# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-04T19:40:04+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of the American Chemical Society') AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000044","4.799","","4.799","","4.799","","90","","90","","90","","110.5","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Calcium oxide","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Primak, W; Kaufman, H; Ward, R","X-Ray Diffraction Studies of Systems Involved in the Preparation of Alkaline Earth Sulfide and Selenide Phosphors","Journal of the American Chemical Society","1948","70","","2043","2046","10.1021/ja01186a018","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1008127","4","","4","","4","","90","","90","","90","","64","","","","","","","","","","","","","3","P -4 3 m","P -4 2 3","215","","Tetradeuterioammonium bromide - IV","","- Br D4 N -","- Br D4 N -","- Br D4 N -","1","0.0416667","","Levy, H A; Peterson, S W","Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases","Journal of the American Chemical Society","1953","75","","1536","1542","10.1021/ja01103a006","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008128","4.06","","4.06","","4.06","","90","","90","","90","","66.9","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Tetradeuterioammonium bromide - II","","- Br D4 N -","- Br D4 N -","- Br D4 N -","1","0.0208333","","Levy, H A; Peterson, S W","Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases","Journal of the American Chemical Society","1953","75","","1536","1542","10.1021/ja01103a006","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008129","5.826","","5.826","","4.136","","90","","90","","90","","140.4","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Tetradeuterioammonium bromide - III","","- Br D4 N -","- Br D4 N -","- Br2 D8 N2 -","2","0.125","","Levy, H A; Peterson, S W","Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases","Journal of the American Chemical Society","1953","75","","1536","1542","10.1021/ja01103a006","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008130","5.609","0.002","5.609","0.002","12.991","0.002","90","","90","","90","","408.7","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Potassium teraoxoruthenate(VII)","","- K O4 Ru -","- K O4 Ru -","- K4 O16 Ru4 -","4","0.25","","Silverman, M D; Levy, H A","Crystal Structure of Potassium Perruthenate, K Ru O~4~","Journal of the American Chemical Society","1954","76","","3317","3319","10.1021/ja01641a072","","","","","","0.096","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008156","4.315","","4.315","","6.99","","90","","90","","90","","130.1","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Xenon(II) fluoride","","- F2 Xe -","- F2 Xe -","- F4 Xe2 -","2","0.0625","","Levy, H A; Agron, P A","The Crystal and Molecular Structure of Xenon Difluoride by Neutron Diffraction","Journal of the American Chemical Society","1963","85","","241","242","10.1021/ja00885a037","","","","","","0.097","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008920","6.9","","6.9","","6.9","","90","","90","","90","","328.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Tetradeuterioammonium bromide - I","","- Br D4 N -","- Br D3.9984 N -","- Br4 D15.9936 N4 -","4","0.0208333","","Levy, H A; Peterson, S W","Neutron diffraction determination of the crystal structure of ammonium bromide in four phases","Journal of the American Chemical Society","1953","75","","1536","1542","10.1021/ja01103a006","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010049","5.85","","12.67","","8.5","","90","","90","0","90","","630","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","POTASSIUM HEPTAFLUORONIOBATE","","- F7 K2 Nb -","- F7 K2 Nb -","- F28 K8 Nb4 -","4","1","","Hoard, J L","Structures of complex fluorides. Potassium heptafluocolumbate. The Configuration of the heptafluocolumbate and heptafluortantalate ions","Journal of the American Chemical Society","1939","61","","1252","1259","10.1021/ja01874a073","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010050","5.85","","12.67","","8.5","","90","","90","0","90","","630","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Potassium heptafluorotantalate","","- F7 K2 Ta -","- F7 K2 Ta -","- F28 K8 Ta4 -","4","1","","Hoard, J L","Structures of complex fluorides. Potassium heptafluocolumbate. The Configuration of the heptafluocolumbate and heptafluortantalate ions","Journal of the American Chemical Society","1939","61","","1252","1259","10.1021/ja01874a073","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010073","4.06","","4.06","","4.06","","98.37","","98.37","","98.37","","64.5","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","CAESIUM DICHLOROIODATE(I)","","- Cl2 Cs I -","- Cl2 Cs I -","- Cl2 Cs I -","1","0.0833333","","Wyckoff, R W G","The Crystal Structure of Cesium Dichloro-Iodide","Journal of the American Chemical Society","1920","42","","1100","1116","10.1021/ja01451a005","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010074","6.9","","6.9","","6.9","","90","","90","","90","","328.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ammonium bromide","","- Br H4 N -","- Br H4 N -","- Br4 H16 N4 -","4","0.0208333","","Bartlett, G; Langmuir, I","The Crystal Structure of the Ammonium Halides Above and Below the Transition Temperature","Journal of the American Chemical Society","1921","43","","84","91","10.1021/ja01434a010","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010075","7.199","","7.199","","7.199","","90","","90","","90","","373.1","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ammonium iodide","","- H4 I N -","- H4 I N -","- H16 I4 N4 -","4","0.0208333","","Bartlett, G; Langmuir, I","The Crystal Structure of the Ammonium Halides Above and Below the Transition Temperature","Journal of the American Chemical Society","1921","43","","84","91","10.1021/ja01434a010","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010076","5.82","","5.82","","5.82","","90","","90","","90","","197.1","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Copper(I) bromide","","- Br Cu -","- Br Cu -","- Br4 Cu4 -","4","0.0416667","","Wyckoff, R W G; Posnjak, E","The Crystal Structures of the Cuprous Halides","Journal of the American Chemical Society","1922","44","","30","36","10.1021/ja01422a005","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010077","9.96","","9.96","","9.96","","90","","90","","90","","988","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium hexachlorostannate","","- Cl6 K2 Sn -","- Cl6 K2 Sn -","- Cl24 K8 Sn4 -","4","0.0208333","","Dickinson, R G","The Crystal Structures of Potassium and Ammonium Chlorostannates","Journal of the American Chemical Society","1922","44","","276","288","10.1021/ja01423a006","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010078","10.05","","10.05","","10.05","","90","","90","","90","","1015.1","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ammonium hexachlorostannate","","- Cl6 H8 N2 Sn -","- Cl6 H8 N2 Sn -","- Cl24 H32 N8 Sn4 -","4","0.0208333","","Dickinson, R G","The Crystal Structures of Potassium and Ammonium Chlorostannates","Journal of the American Chemical Society","1922","44","","276","288","10.1021/ja01423a006","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010079","12.54","","12.54","","12.54","","90","","90","","90","","1971.9","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Potassium tetracyanozincate","","- C4 K2 N4 Zn -","- C4 K2 N4 Zn -","- C32 K16 N32 Zn8 -","8","0.0416667","","Dickinson, R G","The Crystal Structures of Complex Cyanides of Potassium with Zinc, Cadmium and Mercury","Journal of the American Chemical Society","1922","44","","774","784","10.1021/ja01425a010","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010080","12.84","","12.84","","12.84","","90","","90","","90","","2116.9","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Potassium tetracyanocadmate","","- C4 Cd K2 N4 -","- C4 Cd K2 N4 -","- C32 Cd8 K16 N32 -","8","0.0416667","","Dickinson, R G","The Crystal Structures of Complex Cyanides of Potassium with Zinc, Cadmium and Mercury","Journal of the American Chemical Society","1922","44","","774","784","10.1021/ja01425a010","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010081","12.76","","12.76","","12.76","","90","","90","","90","","2077.6","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Potassium tetracyanomercurate","","- C4 Hg K2 N4 -","- C4 Hg K2 N4 -","- C32 Hg8 K16 N32 -","8","0.0416667","","Dickinson, R G","The Crystal Structure of Complex Cyanides of Potassium with Zinc, Cadmium and Mercury","Journal of the American Chemical Society","1922","44","","774","784","10.1021/ja01425a010","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010082","7.04","","7.04","","4.1","","90","","90","","90","","203.2","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Potassium tetrachloropalladate","","- Cl4 K2 Pd -","- Cl4 K2 Pd -","- Cl4 K2 Pd -","1","0.0625","","Dickinson, R G","The Crystal Structures of Potassium Chloroplatinate and of Potassium and Ammonium Chloropalladates","Journal of the American Chemical Society","1922","44","","2404","2411","10.1021/ja01432a007","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010083","6.99","","6.99","","4.13","","90","","90","","90","","201.8","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Potassium tetrachloroplatinate(II)","","- Cl4 K2 Pt -","- Cl4 K2 Pt -","- Cl4 K2 Pt -","1","0.0625","","Dickinson, R G","The Crystal Structures of Potassium Chloroplatinate and of Potassium and Ammonium Chloropalladates","Journal of the American Chemical Society","1922","44","","2404","2411","10.1021/ja01432a007","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010084","7.21","","7.21","","4.26","","90","","90","","90","","221.5","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Ammonium tetrachloropalladate","","- Cl4 H8 N2 Pd -","- Cl4 H8 N2 Pd -","- Cl4 H8 N2 Pd -","1","0.0625","","Dickinson, R G","The Crystal Structures of Potassium Chloroplatinate and of Potassium and Ammonium Chloropalladates","Journal of the American Chemical Society","1922","44","","2404","2411","10.1021/ja01432a007","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010085","9.1","","9.1","","9.1","","90","","90","","90","","753.6","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Ammonium hexafluoroferrate(III)","","- F6 Fe H12 N3 -","- F6 Fe H12 N3 -","- F24 Fe4 H48 N12 -","4","0.0416667","","Pauling, L","The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate","Journal of the American Chemical Society","1924","46","","2738","2751","10.1021/ja01677a019","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010086","8.4","","8.4","","8.4","","90","","90","","90","","592.7","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Ammonium hexafluoroaluminate","","- Al F6 H12 N3 -","- Al F6 H12 N3 -","- Al4 F24 H48 N12 -","4","0.0416667","","Pauling, L","The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate","Journal of the American Chemical Society","1924","46","","2738","2751","10.1021/ja01677a019","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010087","9.1","","9.1","","9.1","","90","","90","","90","","753.6","","","","","","","","","","","","","5","F -4 3 m","F -4 2 3","216","","AMMONIUM TRIOXOTRIFLUOROMOLYBDATE","","- F3 H12 Mo N3 O3 -","- F3 H12 Mo N3 O3 -","- F12 H48 Mo4 N12 O12 -","4","0.0416667","","Pauling, L","The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate","Journal of the American Chemical Society","1924","46","","2738","2751","10.1021/ja01677a019","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010088","5.481","","5.481","","5.481","","38.72","","38.72","","38.72","","57.9","","","","","","","","","","","","","2","R -3 m :R","-P 3* 2","166","","Sodium azide","","- N3 Na -","- N3 Na -","- N3 Na -","1","0.0833333","","Hendricks, S B; Pauling, L","The Crystal Structures of Sodium and Potassium Trinitrides and Potassium Cyanate and the Nature of the Trinitride Group","Journal of the American Chemical Society","1925","47","","2904","2920","10.1021/ja01689a008","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010089","6.094","","6.094","","7.056","","90","","90","","90","","262","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Potassium azide","","- K N3 -","- K N3 -","- K4 N12 -","4","0.125","","Hendricks, S B; Pauling, L","The Crystal Structures of Sodium and Potassium Trinitrides and Potassium Cyanate and the Nature of the Trinitride Group","Journal of the American Chemical Society","1925","47","","2904","2920","10.1021/ja01689a008","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010090","6.07","","6.07","","7.03","","90","","90","","90","","259","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Potassium cyanate","","- C K N O -","- C K N O -","- C4 K4 N4 O4 -","4","0.125","","Hendricks, S B; Pauling, L","The Crystal Structures of Sodium and Potassium Trinitrides and Potassium Cyanate and the Nature of the Trinitride Group","Journal of the American Chemical Society","1925","47","","2904","2920","10.1021/ja01689a008","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010091","7.255","","4.795","","9.78","","90","","90","","90","","340.2","","","","","","","","","","","","","1","C m c a","-C 2ac 2","64","","Diiodine","","- I2 -","- I2 -","- I8 -","4","","","Harris, P M; Mack, E; Blake, F C","The Atomic Arrangement in the Crystal of Orthorhombic Iodine","Journal of the American Chemical Society","1928","50","","1583","1600","10.1021/ja01393a009","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010092","5.74","","5.74","","5","","90","","90","","90","","164.7","","","","","","","","","","","","","3","P -4","P -4","81","","Ammonium nitrate - II","","- H4 N2 O3 -","","","2","0.5","","Hendricks, S B; Posnjak, E; Kracek, F C","Molecular Rotation in the Solid State. The Variation of the Crystal Structure of Ammonium Nitrate with Temperature","Journal of the American Chemical Society","1932","54","","2766","2786","10.1021/ja01346a020","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010093","4.1684","0.001","4.1684","0.001","4.1684","0.001","90","","90","","90","","72.4","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Nickel oxide","","- Ni O -","- Ni O -","- Ni4 O4 -","4","0.0208333","","Cairns, R W; Ott, E","X-Ray Studies of the System Nickel-Oxygen-Water. I. Nickelous Oxide and Hydroxide","Journal of the American Chemical Society","1933","55","","527","533","10.1021/ja01329a013","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010094","9.07","","5.6","","7.23","","90","","90","","90","","367.2","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rubidium tetrafluoroborate","","- B F4 Rb -","- B F4 Rb -","- B4 F16 Rb4 -","4","0.5","","Hoard, J L; Blair, V","The Crystal Structures of Rubidium and Ammonium Fluoborates","Journal of the American Chemical Society","1935","57","","1985","1988","10.1021/ja01313a067","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010095","4.18","0.01","4.18","0.01","4.18","0.01","90","","90","","90","","73","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","NICKEL OXIDE","","- Ni O -","- Ni O -","- Ni4 O4 -","4","0.0208333","","Smith, N","The Structure of Thin Films of Metallic Oxides and Hydrates","Journal of the American Chemical Society","1936","58","","173","179","10.1021/ja01292a050","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010096","16.67","","4.48","","8.72","","90","","90","","90","","651.2","","","","","","","","","","","","","1","C m c a","-C 2ac 2","64","","Bromine","","- Br -","- Br -","- Br8 -","8","","","Vonnegut, B; Warren, B E","The Structure of Crystalline Bromine","Journal of the American Chemical Society","1936","58","","2459","2461","10.1021/ja01303a030","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010097","6.417","0.005","6.417","0.005","6.417","0.005","90","","90","","90","","264.2","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","MANGANESE(IV) SELENIDE","","- Mn Se2 -","- Mn Se2 -","- Mn4 Se8 -","4","0.166667","","Elliott, N","The Crystal Structure of Manganese Diselenide and Manganese Ditelluride","Journal of the American Chemical Society","1937","59","","1958","1962","10.1021/ja01289a049","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010098","6.88","0.01","6.88","0.01","11.1","0.05","90","","90","","120","","455","","","","","","","","","","","","","4","R -3 HR","","148","","AMMONIUM TRIHYDROGENHEXAOXOIODATE(VII)","","- H11 I N2 O6 -","- H19 I N2 O6 -","- H57 I3 N6 O18 -","3","","","Helmholz, L.","The Crystal Structure of Ammonium Trihydrogen Paraperiodate, (N H~4~)~2~ H~3~ I O~6~","Journal of the American Chemical Society","1937","59","","2036","2039","10.1021/ja01289a073","","","","","","","","","","","","","","","","","","","","","has coordinates","277832","2022-09-14","15:07:16",""
"1010099","9.365","0.01","9.365","0.01","9.365","0.01","90","","90","","90","","821.3","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ammonium heptafluorozirconate","","- F7 H12 N3 Zr -","- F7 H12.25 N3 Zr -","- F28 H49 N12 Zr4 -","4","0.0208333","","Hampson, G C; Pauling, L","The Structure of Ammonium Heptafluozirconate and Potassium Heptafluozirconate and the Configuration of the Heptafluozirconate Group","Journal of the American Chemical Society","1938","60","","2702","2707","10.1021/ja01278a046","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010100","8.951","0.01","8.951","0.01","8.951","0.01","90","","90","","90","","717.2","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium heptafluorozirconate","","- F7 K3 Zr -","- F7 K3 Zr -","- F28 K12 Zr4 -","4","0.0208333","","Hampson, G C; Pauling, L","The Structure of Ammonium Heptafluozirconate and Potassium Heptafluozirconate and the Configuration of the Heptafluozirconate Group","Journal of the American Chemical Society","1938","60","","2702","2707","10.1021/ja01278a046","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010101","5.62","0.01","5.62","0.01","4.65","0.01","90","","90","","120","","127.2","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Potassium hexafluorogermanate","","- F6 Ge K2 -","- F6 Ge K2 -","- F6 Ge K2 -","1","0.0833333","","Hoard, J L; Vincent, W B","Structures of Complex Fluorides. Potassium Hexafluogermanate and Ammonium Hexafluogermanate","Journal of the American Chemical Society","1939","61","","2849","2852","10.1021/ja01265a082","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010102","5.85","0.01","5.85","0.01","4.775","0.01","90","","90","","120","","141.5","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ammonium hexafluorogermanate","","- F6 Ge H8 N2 -","- F6 Ge H8 N2 -","- F6 Ge H8 N2 -","1","0.0833333","","Hoard, J L; Vincent, W B","Ytructures of Complex Fluorides. Potassium Hexafluogermanate and Ammonium Hexafluogermanate","Journal of the American Chemical Society","1939","61","","2849","2852","10.1021/ja01265a082","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010103","16.55","","11.7","","8.68","","90","","90","","90","","1680.8","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Potassium octacyanomolybdate(IV) dihydrate","","- C8 H4 K4 Mo N8 O2 -","- C8 H4 K4 Mo N8 O2 -","- C32 H16 K16 Mo4 N32 O8 -","4","0.5","","Hoard, J. L.; Nordsieck, H. H.","The Structure of Potassium Molybdocyanide Dihydrate. The Configuration of the Molybdenum Octocyanide Group","Journal of the American Chemical Society","1939","61","10","2853","2863","10.1021/ja01265a083","","","","","","","","","","","","","","","","","","","","","has coordinates","205558","2020-10-21","18:00:00",""
"1010201","7.49","0.02","7.49","0.02","10.87","0.02","90","","90","","90","","609.8","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Dicaesium gold hexachloroaurate","","- Au2 Cl6 Cs2 -","- Au2 Cl6 Cs2 -","- Au4 Cl12 Cs4 -","2","0.0625","","Elliott, N; Pauling, L","The Crystal Structure of Cesium Aurous Auric Chloride, Vs~2~ Au Au Cl~6~, and Cesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~","Journal of the American Chemical Society","1938","60","","1846","1851","10.1021/ja01275a037","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010202","7.38","0.02","7.38","0.02","11.01","0.02","90","","90","","90","","599.7","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Dicaesium silver hexachloroaurate","","- Ag Au Cl6 Cs2 -","- Ag Au Cl6 Cs2 -","- Ag2 Au2 Cl12 Cs4 -","2","0.0625","","Elliott, N; Pauling, L","The Crystal Structure of Cesium Aurous Auric Chloride, Cs~2~ Au Au Cl~6~, and Cesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~","Journal of the American Chemical Society","1938","60","","1846","1851","10.1021/ja01275a037","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010203","8.38","0.02","5.97","0.02","8.41","0.02","90","","90","","90","","420.7","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Potassium dioxodifluoroiodate","","- F2 I K O2 -","- F2 I K O2 -","- F8 I4 K4 O8 -","4","1","","Helmholz, L; Rogers, M T","The Crystal Structure of Potassium Fluoroiodate, K I O~2~ F~2~","Journal of the American Chemical Society","1940","62","","1537","1542","10.1021/ja01863a058","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010204","11.73","0.02","11.73","0.02","6.76","0.02","90","","90","","120","","805.5","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Neodymium tris(bromate) nonahydrate","","- Br3 H18 Nd O18 -","- Br3 H18 Nd O18 -","- Br6 H36 Nd2 O36 -","2","0.166667","","Helmholz, L","The Crystal Structure of Neodymium Enneahydrate, Nd (Br O~3~)~3~ (H~2~ O)~9~","Journal of the American Chemical Society","1939","61","","1544","1550","10.1021/ja01875a062","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010205","4.75","","4.75","","4.75","","97.97","","97.97","","97.97","","103.7","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Barium hexafluorosilicate","","- Ba F6 Si -","- Ba F6 Si -","- Ba F6 Si -","1","0.0833333","","Hoard, J L; Vincent, W B","Structures of Complex Fluorides. Barium Fluorosilicate and Barium Fluorogermanate","Journal of the American Chemical Society","1940","62","","3126","3129","10.1021/ja01868a060","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010206","4.83","","4.83","","4.83","","98.02","","98.02","","98.02","","109","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Barium hexafluorogermanate","","- Ba F6 Ge -","- Ba F6 Ge -","- Ba F6 Ge -","1","0.0833333","","Hoard, J L; Vincent, W B","Structures of Complex Fluorides. Barium Fluorosilicate and Barium Fluorogermanate","Journal of the American Chemical Society","1940","62","","3126","3129","10.1021/ja01868a060","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010376","8.96","0.02","14.87","0.03","3.97","0.01","90","","90","","90","","528.9","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Ammonium trichlorocadmate","","- Cd Cl3 H4 N -","- Cd Cl3 H4 N -","- Cd4 Cl12 H16 N4 -","4","0.5","","Brasseur, H; Pauling, L","The Crystal Structure of Ammonium Cadmium Chloride, N H~4~ Cd Cl~3~","Journal of the American Chemical Society","1938","60","","2886","2890","10.1021/ja01279a016","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010377","6.56","","6.56","","6.56","","90","","90","","90","","282.3","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium chlorate","","- Cl Na O3 -","- Cl Na O3 -","- Cl4 Na4 O12 -","4","0.333333","","Dickinson, R G; Goodhue, E A","The Crystal Structures of Sodium Chlorate and Sodium Bromate","Journal of the American Chemical Society","1921","43","","2045","2055","10.1021/ja01442a008","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010378","6.71","","6.71","","6.71","","90","","90","","90","","302.1","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium bromate","","- Br Na O3 -","- Br Na O3 -","- Br4 Na4 O12 -","4","0.333333","","Dickinson, R G; Goodhue, E A","The Crystal Structures of Sodium Chlorate and Sodium Bromate","Journal of the American Chemical Society","1921","43","","2045","2055","10.1021/ja01442a008","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010379","9.843","","9.843","","9.843","","90","","90","","90","","953.6","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ammonium hexachloroplatinate","","- Cl6 H8 N2 Pt -","- Cl6 H8 N2 Pt -","- Cl24 H32 N8 Pt4 -","4","0.0208333","","Wyckoff, R W G; Posnjak, E","The Crystal Structure of Ammonium Chloroplatinate","Journal of the American Chemical Society","1921","43","","2292","2309","10.1021/ja01444a002","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010380","5.67","","5.67","","6.81","","90","","90","","90","","218.9","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Potassium hydrogendifluoride","","- F2 H K -","- F2 H K -","- F8 H4 K4 -","4","0.125","","Helmholz, L; Rogers, M T","A Redetermination of the Fluorine - Fluorine Distance in Potassium Bifluoride","Journal of the American Chemical Society","1939","61","","2590","2592","10.1021/ja01265a005","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010381","4.17","0.003","4.17","0.003","4.17","0.003","90","","90","","90","","72.5","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Nickel oxide","","- Ni O -","- Ni O -","- Ni4 O4 -","4","0.0208333","","Thomassen, L","An X-Ray Investigation of the System Cr~2~ O~3~ - Ni O","Journal of the American Chemical Society","1940","62","","1134","1135","10.1021/ja01862a037","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010389","10.21","","10.21","","10.21","","90","","90","","90","","1064.3","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Caesium hexachlorogermanate","","- Cl6 Cs2 Ge -","- Cl6 Cs2 Ge -","- Cl24 Cs8 Ge4 -","4","0.0208333","","Laubengayer, A W; Billings, O B; Newkirk, A E","Chlorogermanic Acid and the Chlorogermanates. Properties and Crystal Structure of Cesium Hexachlorogermanate","Journal of the American Chemical Society","1940","62","","546","548","10.1021/ja01860a027","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010390","8.426","0.02","8.18","0.02","3.69","0.05","90","","90","","90","","254.3","","","","","","","","","","","","","3","P m a n","-P 2ab 2","53","","Ammonium hydrogen fluoride","","- F2 H5 N -","- F2 H5 N -","- F8 H20 N4 -","4","0.5","","Rogers, M T; Helmholz, L","A Redetermination of the Parameters in Ammonium Bifluoride","Journal of the American Chemical Society","1940","62","","1533","1536","10.1021/ja01863a057","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010391","6.094","","6.094","","7.056","","90","","90","","90","","262","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Potassium azide","","- K N3 -","- K N3 -","- K4 N12 -","4","0.125","","Frevel, L K","The Configuration of the Azide Ion","Journal of the American Chemical Society","1936","58","","779","782","10.1021/ja01296a028","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010392","5.481","","5.481","","5.481","","38.72","","38.72","","38.72","","57.9","","","","","","","","","","","","","2","R -3 m :R","-P 3* 2","166","","Sodium azide","","- N3 Na -","- N3 Na -","- N3 Na -","1","0.0833333","","Frevel, L K","The Configuration of the Azide Ion","Journal of the American Chemical Society","1936","58","","779","782","10.1021/ja01296a028","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010609","11.06","","11.06","","11.06","","90","","90","","90","","1352.9","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","Tetraarsenic oxide","Arsenolite","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Bozorth, R M","The crystal structures of the cubic forms of arsenious and antimonous oxide","Journal of the American Chemical Society","1923","45","","1621","1627","10.1021/ja01660a006","","","","","","","","","","","","","","","","","","","","","has coordinates","282053","2023-03-24","19:00:08",""
"1010610","12.23","","12.23","","12.23","","90","","90","","90","","1829.3","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Tin(IV) iodide","","- I4 Sn -","- I4 Sn -","- I32 Sn8 -","8","0.333333","","Dickinson, R G","The crystal structure of tin tetraiodide","Journal of the American Chemical Society","1923","45","","958","962","10.1021/ja01657a014","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010623","9.26","","9.26","","9.26","","90","","90","","90","","794","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Disilver molybdate","","- Ag2 Mo O4 -","- Ag2 Mo O4 -","- Ag16 Mo8 O32 -","8","0.0416667","","Wyckoff, R W G","The crystal structure of silver molybdate","Journal of the American Chemical Society","1922","44","","1994","1997","10.1021/ja01430a017","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010624","5.322","","5.322","","11.93","","90","","90","","90","","337.9","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Sodium iodate(VII)","","- I Na O4 -","- I Na O2 -","- I4 Na4 O8 -","4","0.25","","Kirkpatrick, L M; Dickinson, R G","The crystal structure of sodium periodate","Journal of the American Chemical Society","1927","48","","2327","2334","10.1021/ja01420a011","","","","","","","","","","","","","","","","","","","","","has coordinates","282761","2023-04-20","06:45:55",""
"1010626","10.96","","10.96","","10.96","","90","","90","","90","","1316.5","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Nickel nitrate hexaammonia","","- H18 N8 Ni O6 -","- H3 N8 Ni O6 -","- H12 N32 Ni4 O24 -","4","0.166667","","Wyckoff, R W G","The composition and crystal structure of nickel nitrate hexammoniate","Journal of the American Chemical Society","1922","44","","1260","1266","10.1021/ja01427a010","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010849","5.93","","4.65","","6.36","","90","","105.78","","90","","168.8","","","","","","","","","","","","","3","","","","","Pentakis(lead oxide) dihydrate","","- H4 O7 Pb5 -","","","1","","","Clark, G L; Tyler, W P","On Lead Oxides. II. Hydrous, Normal and Active Lead Monoxides","Journal of the American Chemical Society","1939","61","","58","65","10.1021/ja01870a016","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010850","12.238","0.001","12.238","0.001","12.238","0.001","90","","90","","90","","1832.9","","","","","","","","","","","","","5","","","","","Thallium chromium sulfate dodecahydrate","","- Cr H24 O20 S2 Tl -","","","","","","Klug, H P","Crystal-Chemical Studies of the Alums. II. The Purple Chrome Alums","Journal of the American Chemical Society","1940","62","","2992","2993","10.1021/ja01868a027","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010851","8.382","","36.125","0.008","10.464","","90","","116","0.1","90","","2847.8","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ammonium heptamolybdate tetrahydrate","","- H32 Mo7 N6 O28 -","","","4","1","","Sturdivant, J H","The Formula of Ammonium Paramolybdate","Journal of the American Chemical Society","1937","59","","630","631","10.1021/ja01283a010","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010854","10.09","","10.09","","10.09","","90","","90","","90","","1027.2","","","","","","","","","","","","","4","F m -3","-F 2 2 3","202","","Hexaamminenickel chloride","","- Cl2 H18 N6 Ni -","","","4","0.0416667","","Wyckoff, R W G","The crystal structures of the hexaammoniates of the nickel halides","Journal of the American Chemical Society","1922","44","","1239","1245","10.1021/ja01427a007","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010855","10.48","","10.48","","10.48","","90","","90","","90","","1151","","","","","","","","","","","","","4","","","","","Hexaamminenickel bromide","","- Br2 H18 N6 Ni -","","","4","","","Wyckoff, R W G","The crystal structures of the hexaammoniates of the nickel halides","Journal of the American Chemical Society","1922","44","","1239","1245","10.1021/ja01427a007","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010856","11.01","","11.01","","11.01","","90","","90","","90","","1334.6","","","","","","","","","","","","","4","","","","","Hexaamminenickel iodide","","- H18 I2 N6 Ni -","","","4","","","Wyckoff, R W G","The crystal structures of the hexaammoniates of the nickel halides","Journal of the American Chemical Society","1922","44","","1239","1245","10.1021/ja01427a007","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010914","5.12","0.01","5.12","0.01","5.12","0.01","55.28","","55.28","","55.28","","84.5","","","","","","","","","","","","Ceylon","2","R -3 c :R","-P 3* 2n","167","","Aluminium oxide","Corundum","- Al2 O3 -","- Al2 O3 -","- Al4 O6 -","2","0.166667","","Pauling, L; Hendricks, S B","Crystal Structures of Hematite and Corundum","Journal of the American Chemical Society","1925","47","","781","790","10.1021/ja01680a027","","","","","","","","","","","","","","","","","","","","","has coordinates","282053","2023-03-24","19:00:08",""
"1010928","6.36","","6.36","","6.36","","46.1","","46.1","","46.1","","121.9","","","","","","","","","","","","","3","R -3 c RS","-P 3* 2n","167","","Calcium carbonate","Calcite","- C Ca O3 -","- C Ca O3 -","- C2 Ca2 O6 -","2","","","Elliott, N","A Redetermination of the Carbon - Oxygen Distance in Calcite and the Nitrogen - Oxygen Distance in Sodium Nitrate","Journal of the American Chemical Society","1937","59","","1380","1382","10.1021/ja01286a065","","","","","","","","","","","","","","","","","","","","","has coordinates","205139","2020-10-21","18:00:00",""
"1010929","5.228","","5.228","","5.228","","90","","90","","90","","142.9","","","","","","","","","","","","from French Creek, Pa.","3","F -4 3 m","F -4 2 3","216","","Copper iron sulfide","Chalcopyrite","- Cu Fe S2 -","- Cu Fe S2 -","- Cu2 Fe2 S4 -","2","0.0208333","","Burdick, C L; Ellis, J H","The Crystal Structure of Chalcopyrite Determined by X-Rays","Journal of the American Chemical Society","1917","39","","2519","2525","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010977","3.99","","3.99","","5.01","","90","","90","","90","","79.8","","","","","","","","","","","","synthetic from melt with KOH","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Lead oxide","Litharge","- O Pb -","- O Pb -","- O2 Pb2 -","2","0.125","","Dickinson, R G; Friauf, J B","The crystal structure of tetragonal lead monoxide","Journal of the American Chemical Society","1924","46","","2457","2462","10.1021/ja01676a015","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010991","5.501","","5.501","","5.501","","90","","90","","90","","166.5","","","","","","","","","","","","synthetic by reduction of CuCl2","2","F -4 3 m","F -4 2 3","216","","Copper(I) chloride","Nantokite","- Cl Cu -","- Cl Cu -","- Cl4 Cu4 -","4","0.0416667","","Wyckoff, R W G; Posnjak, E","The Crystal Structures of the Cuprous Halides","Journal of the American Chemical Society","1922","44","","30","36","10.1021/ja01422a005","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010992","8.38","","8.38","","8.38","","90","","90","","90","","588.5","","","","","","","","","","","","synthetic","4","F m -3 m","-F 4 2 3","225","","Ammonium hexafluorosilicate","Cryptohalite","- F6 H8 N2 Si -","- F6 H8 N2 Si -","- F24 H32 N8 Si4 -","4","0.0208333","","Bozorth, R M","The Crystal Structure of Ammonium Fluosilicate","Journal of the American Chemical Society","1922","44","","1066","1070","10.1021/ja01426a018","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010993","3.15","0.02","3.15","0.02","12.3","0.07","90","","90","","120","","105.7","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Molybdenum disulfide","Molybdenite","- Mo S2 -","- Mo S2 -","- Mo2 S4 -","2","0.0833333","","Dickinson, R G; Pauling, L","The Crystal Structure of Molybdenite","Journal of the American Chemical Society","1923","45","","1466","1471","10.1021/ja01659a020","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010994","8.353","0.005","8.353","0.005","5.051","0.01","90","","90","","90","","352.4","","","","","","","","","","","","synthetic","2","P 42/m b c","-P 4c 2ab","135","","Selenium oxide","Downeyite","- O2 Se -","- O2 Se -","- O16 Se8 -","8","0.5","","McCullough, J D","The Crystal Structure of Selenium Dioxide","Journal of the American Chemical Society","1937","59","","789","794","10.1021/ja01284a004","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011029","6.32","","6.32","","6.32","","47.25","","47.25","","47.25","","124.5","","","","","","","","","","","","synthetic","3","R -3 c :R","-P 3* 2n","167","","Sodium nitrate","Nitratine","- N Na O3 -","- N Na O3 -","- N2 Na2 O6 -","2","0.166667","","Elliott, N","A Redetermination of the Carbon - Oxygen Distance in Calcite and the Nitrogen - Oxygen Distance in Sodium Nitrate","Journal of the American Chemical Society","1937","59","","1380","1382","10.1021/ja01286a065","","","","","","","","","","","","","","","","","","","","","has coordinates","282761","2023-04-20","06:45:55",""
"1011030","8.299","0.003","8.299","0.003","8.299","0.003","90","","90","","90","","571.6","","","","","","","","","","","","synthetic in KCl flux at 1273 K","3","F d -3 m :1","F 4d 2 3 -1d","227","","Nickel dichromium oxide","Nichromite","- Cr2 Ni O4 -","- Cr2 Ni O4 -","- Cr16 Ni8 O32 -","8","0.0416667","","Thomassen, L","An X-Ray Investigation of the System Cr2 O3 - Ni O","Journal of the American Chemical Society","1940","62","","1134","1136","10.1021/ja01862a037","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011031","4.358","","4.358","","4.358","","90","","90","","90","","82.8","","","","","","","","","","","","synthetic","2","F -4 3 m","F -4 2 3","216","","Silicon carbide","Moissanite 3C","- C Si -","- C Si -","- C4 Si4 -","4","0.0416667","","Burdick, C L; Owen, E A","The Atomic Structure of Carborundum Determined by X-Rays","Journal of the American Chemical Society","1918","40","","1749","1759","10.1021/ja02245a001","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1011065","7.45","","7.45","","7.88","","90","","90","","90","","437.4","","","","","","","","","","","","synthetic","5","P 42/m n m","-P 4n 2n","136","","Potassium tetrachlorocuprate dihydrate","Mitscherlichite","- Cl4 Cu H4 K2 O2 -","- Cl4 Cu H4 K2 O2 -","- Cl8 Cu2 H8 K4 O4 -","2","0.125","","Hendricks, S B; Dickinson, R G","The Crystal Structure of ammonium, potassium and rubidium cupric chloride dihydrates","Journal of the American Chemical Society","1927","49","","2149","2162","10.1021/ja01408a005","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1011075","4.92","","4.92","","11.64","","90","","90","","90","","281.8","","","","","","","","","","","","synthetic","2","I -4 m 2","I -4 -2","119","","Dimercury(I) iodide","Moschelite","- Hg2 I2 -","- Hg2 I2 -","- Hg4 I4 -","2","0.125","","Huggins, M L; Magill, P L","The crystal stuctures of mercuric and mercurous iodides","Journal of the American Chemical Society","1927","49","","2357","2367","10.1021/ja01409a003","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011076","4.47","","4.47","","10.89","","90","","90","","90","","217.6","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Mercury(I) chloride","Calomel","- Cl2 Hg2 -","- Cl2 Hg2 -","- Cl4 Hg4 -","2","0.0625","","Havighurst, R J","Parameters in crystal structure. The mercurous halides","Journal of the American Chemical Society","1926","48","","2113","2130","10.1021/ja01419a016","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011077","4.66","","4.66","","11.12","","90","","90","","90","","241.5","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Mercury(I) bromide","Kuzminite","- Br2 Hg2 -","- Br2 Hg2 -","- Br4 Hg4 -","2","0.125","","Havighurst, R J","Parameters in crystal structure. The mercurouos halides","Journal of the American Chemical Society","1926","48","","2113","2131","10.1021/ja01419a016","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011078","4.92","","4.92","","11.61","","90","","90","","90","","281","","","","","","","","","","","","synthetic","2","P 42/m n m","-P 4n 2n","136","","Mercury(I) iodide","Moschelite","- Hg2 I2 -","- Hg2 I2 -","- Hg4 I4 -","2","0.125","","Havighurst, R J","Parameters in crystal structure. The mercurous halides","Journal of the American Chemical Society","1926","48","","2113","2125","10.1021/ja01419a016","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011079","4.928","","5.438","","5.732","","90","","90","","90","","153.6","","","","","","","","","","","","","3","P n m m :1","P 2bc 2 -1bc","59","","Ammonium nitrate - phase IV","Nitrammite","- H4 N2 O3 -","- H4 N2 O3 -","- H8 N4 O6 -","2","0.25","","West, C. D.","The crystal structure of rhombic ammonium nitrate","Journal of the American Chemical Society","1932","54","6","2256","2260","10.1021/ja01345a013","","","","","","","","","","","","","","","","","","","","","has coordinates","188421","2020-10-21","18:00:00",""
"1011129","3.868","","3.868","","3.868","","90","","90","","90","","57.9","","","","","","","","","","","","ammoniac - synthetic","3","P m -3 m","-P 4 2 3","221","","Ammonium chloride - $-alpha","Salammoniac","- Cl H4 N -","- Cl H4 N -","- Cl H4 N -","1","0.0208333","","Bartlett, G; Langmuir, I","The crystal structure of the ammonium halides above and below the transition temperature","Journal of the American Chemical Society","1921","43","","84","91","10.1021/ja01434a010","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1011130","6.533","","6.533","","6.533","","90","","90","","90","","278.8","","","","","","","","","","","","ammoniac high - synthetic","3","F m -3 m","-F 4 2 3","225","","Ammonium chloride - $-beta","Salammoniac","- Cl H4 N -","- Cl H4 N -","- Cl4 H16 N4 -","4","0.0208333","","Bartlett, G; Langmuir, I","The crystal structure of the ammonium halides above and below the transition temperature","Journal of the American Chemical Society","1921","43","","84","91","10.1021/ja01434a010","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1011131","4.4","","4.4","","4.4","","90","","90","","90","","85.2","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ammonium nitrate(V) - I","","- H4 N2 O3 -","- H4.5 N2 O3 -","- H4.5 N2 O3 -","1","0.0208333","","Hendricks, S B; Posnjak, E; Kracek, F C","Molecular rotation in the solid state. The variation of the crystal structure of ammonium nitrate with temperature","Journal of the American Chemical Society","1932","54","","2766","2786","10.1021/ja01346a020","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011132","7.06","","7.66","","5.8","","90","","90","","90","","313.7","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Ammonium nitrate(V) - III","","- H4 N2 O3 -","- H4 N2 O3 -","- H16 N8 O12 -","4","0.5","","Hendricks, S B; Posnjak, E; Kracek, F C","Molecular rotation in the solid state. The variation of the crystal structure of ammonium nitrate with temperature","Journal of the American Chemical Society","1932","54","","2766","2786","10.1021/ja01346a020","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011133","5.75","","5.45","","4.96","","90","","90","","90","","155.4","","","","","","","","","","","","","3","P m m n :1","P 2 2ab -1ab","59","","Ammonium nitrate(V) - IV","","- H4 N2 O3 -","- H4 N2 O3 -","- H8 N4 O6 -","2","0.25","","Hendricks, S B; Posnjak, E; Kracek, F C","Molecular rotation in the solid state. The variation of the crystal structure of ammonium nitrate with temperature","Journal of the American Chemical Society","1932","54","","2766","2786","10.1021/ja01346a020","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1011134","3.114","0.005","3.114","0.005","4.617","0.005","90","","90","","120","","38.8","","","","","","","","","","","","synthetic","3","P -3 m 1","-P 3 2""","164","","Nickel hydroxide","Theophrastite","- H2 Ni O2 -","- H3 Ni O2 -","- H3 Ni O2 -","1","0.0833333","","Cairns, R W; Ott, E","X-ray studies of the system nickel-oxygen-water. I. Nickelous oxide and hydroxide","Journal of the American Chemical Society","1933","55","","527","533","10.1021/ja01329a013","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011135","9.06","","5.64","","7.23","","90","","90","","90","","369.4","","","","","","","","","","","","synthetic from solution","4","P n m a","-P 2ac 2n","62","","Ammonium tetrafluoroborate","Barberiite","- B F4 H4 N -","- B F4 H4 N -","- B4 F16 H16 N4 -","4","0.5","","Hoard, J L; Blair, V","The crystal structures of rubidium and ammonium fluoborates","Journal of the American Chemical Society","1935","57","","1985","1988","10.1021/ja01313a067","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011170","5.47","","5.47","","12.08","","90","","90","","90","","361.4","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Lead molybdate","Wulfenite","- Mo O4 Pb -","- Mo O Pb -","- Mo4 O4 Pb4 -","4","0.25","","Dickinson, R G","The crystal structure of wulfenite and scheelite","Journal of the American Chemical Society","1920","42","","85","93","10.1021/ja01446a012","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011171","5.62","","5.62","","11.4","","90","","90","","90","","360.1","","","","","","","","","","","","from Korea","3","I 41/a :1","I 4bw -1bw","88","","Calcium tungstate","Scheelite","- Ca O4 W -","- Ca O W -","- Ca4 O4 W4 -","4","0.25","","Dickinson, R G","The crystal structure of wulfenite and scheelite","Journal of the American Chemical Society","1920","42","","85","93","10.1021/ja01446a012","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011218","11.14","","11.14","","11.14","","90","","90","","90","","1382.5","","","","","","","","","","","","from Mont Hamimat, Algeria","2","F d -3 m :1","F 4d 2 3 -1d","227","","Tetraantimony oxide","Senarmontite","- O6 Sb4 -","- O6 Sb4 -","- O48 Sb32 -","8","0.0416667","","Bozorth, R M","The crystal structures of the cubic forms of arsenious and antimonous oxides","Journal of the American Chemical Society","1923","45","","1621","1627","10.1021/ja01660a006","","","","","","","","","","","","","","","","","","","","","has coordinates","282053","2023-03-24","19:00:08",""
"1011239","6.1","","6.1","","6.1","","90","","90","","90","","227","","","","","","","","","","","","synthetic","2","F -4 3 m","F -4 2 3","216","","Copper(I) iodide","Marshite","- Cu I -","- Cu I -","- Cu4 I4 -","4","0.0416667","","Wyckoff, R W G; Posnjak, E","The crystal structures of the cuprous halides","Journal of the American Chemical Society","1922","44","","30","36","10.1021/ja01422a005","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011240","5.43","","5.43","","5.43","","55.28","","55.28","","55.28","","100.8","","","","","","","","","","","","","2","R -3 c :R","-P 3* 2n","167","","Iron(III) oxide","Hematite","- Fe2 O3 -","- Fe2 O3 -","- Fe4 O6 -","2","0.166667","","Pauling, L; Hendricks, S B","The Structure of Hematite","Journal of the American Chemical Society","1925","47","","781","790","10.1021/ja01680a027","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011300","3.988","","3.988","","3.988","","90","","90","","90","","63.4","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ammonium bromide","","- Br H4 N -","- Br H4 N -","- Br H4 N -","1","0.0208333","","Bartlett, G; Langmuir, I","The crystal structure of the ammonium halides above and below the transition temperature","Journal of the American Chemical Society","1921","43","","84","91","10.1021/ja01434a010","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1011352","6.943","0.002","6.943","0.002","6.943","0.002","90","","90","","90","","334.7","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Manganese(IV) telluride","","- Mn Te2 -","- Mn Te2 -","- Mn4 Te8 -","4","0.166667","","Elliott, N","The crystal structure of manganese diselenide and manganese ditelluride","Journal of the American Chemical Society","1937","59","","1958","1962","10.1021/ja01289a049","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100027","5.1396","","5.1396","","5.1396","","90","","90","","90","","135.8","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Strontium oxide","","- O Sr -","- O Sr -","- O4 Sr4 -","4","0.0208333","","Primak, W; Kaufman, H; Ward, R","X-Ray Diffraction Studies of Systems Involved in the Preparation of Alkaline Earth Sulfide and Selenide Phosphors","Journal of the American Chemical Society","1948","70","","2043","2046","10.1021/ja01186a018","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1100166","17.417","0.003","21.402","0.004","11.298","0.002","90","","117.15","0.03","90","","3747.4","1.2","546","2","546","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44.75 H32 Ag O2 P2 -","- C44.82 H32 Ag O2 P2 -","- C179.28 H128 Ag4 O8 P8 -","4","0.5","","Norie Momiyama; Hisashi Yamamoto","Enantioselective O- and N-Nitroso Aldol Synthesis of Tin Enolates. Isolation of Three BINAP-Silver Complexes and Their Role in Regio- and Enantioselectivity","Journal of the American Chemical Society","2004","126","","5360","5361","10.1021/ja039103i","","","0.71073","MoKα","","0.0963","0.094","","","0.3306","0.3336","","","","","","1.587","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100178","7.842","0.001","12.127","0.001","12.973","0.001","65.76","0.01","86.43","0.01","81.31","0.01","1112.04","","","","223","","","","","","","","","4","P -1","-P 1","2","","3-(Diphenylmethyl)pent-2-yl 3,5-dinitrobenzoate","","- C25 H24 N2 O6 -","- C25 H24 N2 O6 -","- C50 H48 N4 O12 -","2","1","","Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul","Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules","Journal of the American Chemical Society","2000","122","41","10218","10219","10.1021/ja001283y","","","","","","","4.44","","","4.44","","","","","","","","","","","has coordinates","176899","2020-10-21","18:00:00",""
"1100179","23.056","0.001","23.056","0.001","7.325","0.001","90","","90","","120","","3372.15","","","","223","","","","","","","","","3","R 3 :H","R 3","146","","3,4-Diphenylhexan-2-ol","","- C18 H22 O -","- C18 H22 O -","- C162 H198 O9 -","9","1","","Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul","Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules","Journal of the American Chemical Society","2000","122","41","10218","10219","10.1021/ja001283y","","","","","","","3.05","","","3.05","","","","","","","","","","","has coordinates","176899","2020-10-21","18:00:00",""
"1100180","22.864","0.001","22.864","0.001","7.229","0.001","90","","90","","120","","3272.75","","","","223","","","","","","","","","3","R 3 :H","R 3","146","","3,4-Diphenylpentan-2-ol","","- C17 H20 O -","- C17 H20 O -","- C153 H180 O9 -","9","1","","Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul","Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules","Journal of the American Chemical Society","2000","122","41","10218","10219","10.1021/ja001283y","","","","","","","4.89","","","4.89","","","","","","","","","","","has coordinates","176899","2020-10-21","18:00:00",""
"1100289","9.191","0.001","16.567","0.002","11.465","0.004","90","","101.93","0.02","90","","1708.04","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","2","","Tietze, Lutz F.; Brand, Siegbert; Pfeiffer, Thomas; Antel, Jochen; Harms, Klaus; Sheldrick, George M.","Intra- and intermolecular hetero-Diels-Alder reactions. 15. Asymmetric induction in Grignard and hetero-Diels-Alder reactions of chiral α,β-unsaturated carbonyl compounds","Journal of the American Chemical Society","1987","109","3","921","923","10.1021/ja00237a060","","","","","","","","","","","","","","","","","","","","","has coordinates","177985","2020-10-21","18:00:00",""
"1100296","11.493","0.003","9.567","0.002","19.636","0.003","90","","93.18","0.02","90","","2155.72","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Li N O -","- C20.5 Li2.5 N3 O2 -","- C164 Li20 N24 O16 -","8","2","","Boche, Gernot; Harms, Klaus; Marsch, Michael","X-ray structure determination of [1-cyano-2,.2-dimtheylcyclopropyllithium·tetrahydrofuran]~∞~: a tetrahedral anionic α-cyano carbon atom","Journal of the American Chemical Society","1988","110","20","6925","6926","10.1021/ja00228a073","","","","","","","","","","","","","","","","","","","","","has coordinates","177986","2020-10-21","18:00:00",""
"1100358","19.69","0.03","11.788","0.002","19.56","0.02","90","","101.28","0.05","90","","4452.29","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H37 Li N2 Si2 -","- C15 H37 Li N2 Si2 -","- C120 H296 Li8 N16 Si16 -","8","1","","Boche, Gernot; Fraenkel, Gideon; Cabral, Jose; Harms, Klaus; Van Eikema Hommes, Nicolaas J. R.; Lohrenz, John; Marsch, Michael; Schleyer, Paul v. R.","exo,exo-[1,3-Bis(trimethylsilyl)allyl]lithium-N,N,N',N'-tetramethylethylenediamine complex: crystal structure and dynamics in solution","Journal of the American Chemical Society","1992","114","5","1562","1565","10.1021/ja00031a004","","","","","","","","","","","","","","","","","","","","","has coordinates","177987","2020-10-21","18:00:00",""
"1100374","16.01","0.003","9.727","0.002","16.193","0.003","90","","102.11","0.03","90","","2465.61","","","","","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C25 H25 Fe P5 -","- C49 H49 Fe P9 -","- C196 H196 Fe4 P36 -","4","1","","Elschenbroich, Christoph; Nowotny, Mathias; Behrendt, Andreas; Harms, Klaus; Wocadlo, Sigrid; Pebler, Juergen","Pentakis(η^1^-phosphinine)iron: Synthesis, Structure, and Mode of Formation","Journal of the American Chemical Society","1994","116","14","6217","6219","10.1021/ja00093a022","","","","","","","","","","","","","","","","","","","","","has coordinates","177610","2020-10-21","18:00:00",""
"1100430","6.993","0.001","16.539","0.001","9.554","0.001","90","","104.6","0.01","90","","1069.31","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 D O2 V -","- C13 H11 D O2 V -","- C52 H44 D4 O8 V4 -","4","1","","Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K.","Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH)","Journal of the American Chemical Society","1997","119","32","7452","7457","10.1021/ja964445s","","","","","","","","","","","","","","","","","","","","","has coordinates","177993","2020-10-21","18:00:00",""
"1100431","6.98","0.001","16.541","0.001","9.544","0.001","90","","104.6","0.01","90","","1066.33","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 O2 V -","- C13 H12 O2 V -","- C52 H48 O8 V4 -","4","1","","Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K.","Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH)","Journal of the American Chemical Society","1997","119","32","7452","7457","10.1021/ja964445s","","","","","","","","","","","","","","","","","","","","","has coordinates","177993","2020-10-21","18:00:00",""
"1100432","13.534","0.001","23.276","0.001","13.582","0.001","90","","104.34","0.01","90","","4145.26","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 O3 V2 -","- C26 H22 O3 V2 -","- C208 H176 O24 V16 -","8","2","","Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K.","Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH)","Journal of the American Chemical Society","1997","119","32","7452","7457","10.1021/ja964445s","","","","","","","","","","","","","","","","","","","","","has coordinates","177993","2020-10-21","18:00:00",""
"1100463","8.973","0.001","6.542","0.001","17.092","0.001","90","","90","","90","","1003.32","","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H10 I N3 -","- C8 H10 I N3 -","- C32 H40 I4 N12 -","4","0.5","","Boche, Gernot; Andrews, Phil; Harms, Klaus; Marsch, Michael; Rangappa, Kanchugarakoppal S.; Schimeczek, Michael; Willeke, Christoph","Crystal and Electronic Structure of Stable Nitrenium Ions. A Comparison with Structurally Related Carbenes","Journal of the American Chemical Society","1996","118","","4925","4930","10.1021/ja9536274","","","0.71073","MoKα","","0.0355","0.027","","0.0815","0.0732","","","","1.048","1.064","1.064","","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100464","26.993","0.004","5.599","0.001","15.917","0.002","90","","105.44","0.01","90","","2318.78","","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 I N3 -","- C10 H12 I N3 -","- C80 H96 I8 N24 -","8","1","","Boche, Gernot; Andrews, Phil; Harms, Klaus; Marsch, Michael; Rangappa, Kanchugarakoppal S.; Schimeczek, Michael; Willeke, Christoph","Crystal and Electronic Structure of Stable Nitrenium Ions. A Comparison with Structurally Related Carbenes","Journal of the American Chemical Society","1996","118","","4925","4930","10.1021/ja9536274","","","0.71073","MoKα","","0.0302","0.0193","","0.0522","0.0485","","","","1.06","1.075","1.075","","","","","has coordinates","177988","2020-10-21","18:00:00",""
"1100502","10.363","0.002","10.397","0.002","12.137","0.002","92.88","0.01","109.44","0.01","104.47","0.01","1181.21","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H48 Cl6 N2 O10 Ti2 -","- C23 H48 Cl6 N2 O10 Ti2 -","- C46 H96 Cl12 N4 O20 Ti4 -","2","1","","Boche, Gernot; Möbus, Konrad; Harms, Klaus; Marsch, Michael","[((η^2^-tert-Butylperoxo)titanatrane)~2~ · 3 Dichloromethane]: X-ray Crystal Structure and Oxidation Reactions","Journal of the American Chemical Society","1996","118","11","2770","2771","10.1021/ja954308f","","","","","","","","","","","","","","","","","","","","","has coordinates","177983","2020-10-21","18:00:00",""
"1100584","8.145","0.001","11.17","0.001","13.241","0.001","105.19","0.01","106.46","0.01","101.38","0.01","1065.85","0.18","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C48 H60 N4 O10 -","2","1","","Bach, Thorsten; Bergmann, Hermann; Harms, Klaus","High Facial Diastereoselectivity in the Photocycloaddition of a Chiral Aromatic Aldehyde and an Enamide Induced by Intermolecular Hydrogen Bonding","Journal of the American Chemical Society","1999","121","","10650","10651","10.1021/ja992209m","","","1.54178","CuKα","","0.0745","0.0483","","","0.1135","0.127","","","","","","1.047","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100873","12.6218","0.0005","13.3776","0.0005","14.3654","0.0005","92.678","0.001","91.051","0.001","109.958","0.001","2275.91","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H42 O13 P Pt Ru5 -","- C38 H42 O13 P Pt Ru5 -","- C76 H84 O26 P2 Pt2 Ru10 -","2","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Platinum Participation in the Hydrogenation of Phenylacetylene by Ru~5~(CO)~15~(C)[Pt(PBut~3~)]","Journal of the American Chemical Society","2004","126","10","3042","3043","10.1021/ja049955y","","","0.71073","MoKα","","0.0578","0.0454","","","0.1139","0.1227","","","","","","1.037","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100918","8.638","","13.833","","9.537","","90","","99.06","","90","","1125.35","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 Co N6 O4 -","- C19 H25 Co N6 O4 -","- C38 H50 Co2 N12 O8 -","2","1","","Yuji Ohashi; Kazunori Yanagi; Toshiharu Kurihara; Yoshio Sasada; Yoshiaki Ohgo","Crystalline state reaction of cobaloxime complexes by x-ray exposure. 1. Direct observation of cobalt-carbon bond cleavage in [(R)-1-cyanoethyl][(S)-(-)-.alpha.-methylbenzylamine] bis(dimethylglyoximato)cobalt(III)","Journal of the American Chemical Society","1981","103","","5805","5812","10.1021/ja00409a031","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101222","16.7942","0.0001","16.7942","0.0001","16.7942","0.0001","90","","90","","90","","4736.72","0.05","293","2","293","2","","","","","","","","7","P -4 3 n","P -4n 2 3","218","MIL-74","","","- C24 H118 Al6 N16 O65 P12 Zn3 -","- C24 Al6.504 N16 O65 P12 Zn2.496 -","- C48 Al13.008 N32 O130 P24 Zn4.992 -","2","0.0833333","","Lionel Beitone; Clarisse Huguenard; Axel Gansmüller; Marc Henry; Francis Taulelle; Thierry Loiseau; Gérard Férey","Order-Disorder in the Super-Sodalite Zn3Al6(PO4)12, 4tren, 17H2O (MIL-74): A Combined XRD-NMR Assessment","Journal of the American Chemical Society","2003","125","","9102","9110","10.1021/ja0294818","","","0.71073","MoKα","","0.0532","0.0404","","","0.1014","0.1091","","","","","","1.176","","","","has coordinates","277831","2022-09-14","14:31:33",""
"1101223","46.324","0.005","42.268","0.004","41.896","0.004","90","","112.549","0.002","90","","75763","13","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- H1262 K43 Mo214 Na11 O1404 S12 V34 -","- K21 Mo213.6 O1002.72 S12 V30 -","- K42 Mo427.2 O2005.44 S24 V60 -","2","0.25","","Botar, Bogdan; Kögerler, Paul; Hill, Craig L.","A Nanoring‒Nanosphere Molecule, {Mo~214~V~30~}: Pushing the Boundaries of Controllable Inorganic Structural Organization at the Molecular Level","Journal of the American Chemical Society","2006","128","16","5336","5337","10.1021/ja060886s","","","0.71073","MoKα","","0.1577","0.0998","","","0.2731","0.3412","","","","","","1.044","","","","has coordinates","178224","2020-10-21","18:00:00",""
"1516253","4.789","0.005","12.683","0.014","16.599","0.016","90","","71.26","0.03","90","","954.8","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPMe-radical-100K-cell-II","","","- C6 H3 F N3 S4 -","- C6 H3 F N3 S4 -","- C24 H12 F4 N12 S16 -","4","1","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","","","0.71073","MoKα","","0.1174","0.0838","","","0.193","0.2044","","","","","","1.285","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516254","17.301","0.003","4.0582","0.0007","26.249","0.004","90","","92.074","0.004","90","","1841.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","FBPMe-alpha","","","- C6 H3 F N3 S4 -","- C6 H3 F N3 S4 -","- C48 H24 F8 N24 S32 -","8","2","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","","","0.71073","MoKα","","0.0692","0.0526","","","0.0993","0.1076","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516255","4.6011","0.0007","12.7317","0.0019","15.9122","0.0019","90","","78.949","0.004","90","","914.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPMe-beta","","","- C12 H6 F2 N6 S8 -","- C12 H6 F2 N6 S8 -","- C24 H12 F4 N12 S16 -","2","0.5","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","","","0.71073","MoKα","","0.0774","0.0486","","","0.0758","0.0892","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516256","4.12168","0.00024","13.2722","0.0011","14.8586","0.001","90","","84.318","0.005","90","","808.83","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPMe","","","- C12 H6 F2 N6 S8 -","- C12 H6 F2 N6 S8 -","- C24 H12 F4 N12 S16 -","2","0.5","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","powder diffraction","x-ray","0.50918","synchrotron","","","","","","","","0.17464","","0.54","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516257","4.789","0.005","12.683","0.014","16.281","0.016","90","","74.89","0.03","90","","954.7","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPMe-radical-100K-cell-I","","","- C6 H3 F N3 S4 -","- C6 H3 F N3 S4 -","- C24 H12 F4 N12 S16 -","4","1","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","","","0.71073","MoKα","","0.1175","0.0838","","","0.1932","0.2046","","","","","","1.286","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516258","3.86543","0.00033","13.4994","0.0021","14.4694","0.0012","90","","86.261","0.007","90","","753.42","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPMe","","","- C12 H6 F2 N6 S8 -","- C12 H6 F2 N6 S8 -","- C24 H12 F4 N12 S16 -","2","0.5","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","powder diffraction","x-ray","0.50918","synchrotron","","","","","","","","0.36353","","0.46","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520022","5.8119","0.0015","10.51","0.003","18.411","0.005","90","","90","","90","","1124.6","0.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 Cl O2 -","- C12 H13 Cl O2 -","- C48 H52 Cl4 O8 -","4","1","","Sai, Masahiro; Yamamoto, Hisashi","Chiral Brønsted Acid as a True Catalyst: Asymmetric Mukaiyama Aldol and Hosomi-Sakurai Allylation Reactions.","Journal of the American Chemical Society","2015","137","22","7091","7094","10.1021/jacs.5b04168","","","0.71075","MoKα","","","0.0613","","","","0.1186","","","","","","1.036","","","","has coordinates","140108","2020-10-21","18:00:00",""
"2000026","15.0562","0.001","16.2762","0.001","20.488","0.0013","88.98","0.002","74.256","0.002","78.297","0.002","4728.23","","","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H156 P6 S8 W6 -","- C85 H155 P6 S8 W6 -","- C170 H310 P12 S16 W12 -","2","1","","Jin, Song; Adamchuk, Jennifer; Xiang, Bosong; DiSalvo, Francis J.","The Dean-Evans Relation in ^31^P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters","Journal of the American Chemical Society","2002","124","31","9229","9240","10.1021/ja0257873","","","","","","","0.0498","","","0.0498","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000043","16.1816","0.0004","15.9178","0.0004","29.4907","0.0008","90","","91.4768","0.001","90","","7593.56","","","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H98 N5 P S8 W6 -","- C77 H122 N5 P S8 W6 -","- C308 H488 N20 P4 S32 W24 -","4","1","","Jin, Song; Adamchuk, Jennifer; Xiang, Bosong; DiSalvo, Francis J.","The Dean-Evans Relation in ^31^P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters","Journal of the American Chemical Society","2002","124","31","9229","9240","10.1021/ja0257873","","","","","","","0.0571","","","0.0571","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000044","15.8389","0.0012","19.4806","0.0014","20.0882","0.0015","90","","95.542","0.002","90","","6169.27","","","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H86 N2 P4 S8 W6 -","- C42 H86 N2 P4 S8 W6 -","- C168 H344 N8 P16 S32 W24 -","4","1","","Song Jin; Jennifer Adamchuk; Bosong Xiang; Francis J. DiSalvo","The Dean-Evans Relation in 31P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters","Journal of the American Chemical Society","2002","124","","9229","9240","","","","","","","","0.0388","","","0.0388","","","","","","","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2000045","12.024","0.003","21.356","0.005","25.107","0.005","112.39","0.02","92.58","0.02","90.68","0.03","5952.08","","","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H83 N2 P5 S8 W6 -","- C40 H83 N2 P5 S8 W6 -","- C160 H332 N8 P20 S32 W24 -","4","2","","Song Jin; Jennifer Adamchuk; Bosong Xiang; Francis J. DiSalvo","The Dean-Evans Relation in 31P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters","Journal of the American Chemical Society","2002","124","","9229","9240","10.1021/ja0257873","","","","","","","0.0712","","","0.0712","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:42",""
"2000099","18.128","0.007","20.224","0.007","26.221","0.009","101.3","0.02","104.07","0.02","102.37","0.02","8790.67","","","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C94.5 H96.5 B2 N6.5 Ni2 O7 S2 -","- C97 H82 B2 N6.5 Ni2 O4.5 S2 -","- C388 H328 B8 N26 Ni8 O18 S8 -","4","2","","Catherine Belle; Catherine Bougault; Marie-Thérèse Averbuch; André Durif; Jean-Louis Pierre; Jean-Marc Latour; Laurent Le Pape","Paramagnetic NMR Investigations of High-Spin Nickel(II) Complexes. Controlled Synthesis, Structural, Electronic, and Magnetic Properties of Dinuclear vs Mononuclear Species","Journal of the American Chemical Society","2001","123","33","8053","8066","10.1021/ja010342k","","","","","","","0.0576","","","0.0576","","","","","","","","","","","has coordinates","277836","2022-09-14","17:02:02",""
"4060000","8.574","0.002","15.235","0.004","28.536","0.007","90","","90","","90","","3727.6","1.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 O6 -","- C42 H52 O6 -","- C168 H208 O24 -","4","1","","Weihe Zhang; Shengjun Luo; Fang Fang; Qingshou Chen; Hanwei Hu; Xueshun Jia; Hongbin Zhai","Total Synthesis of Absinthin","Journal of the American Chemical Society","2005","127","","18","19","10.1021/ja0439219","","","0.71073","MoKα","","0.1101","0.0631","","","0.1267","0.1459","","","","","","0.929","","","","has coordinates","277847","2022-09-14","22:27:41",""
"4060001","9.9596","0.0015","11.4051","0.0018","28.487","0.004","90","","90","","90","","3235.8","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 O8 -","- C34 H44 O8 -","- C136 H176 O32 -","4","1","","Weihe Zhang; Shengjun Luo; Fang Fang; Qingshou Chen; Hanwei Hu; Xueshun Jia; Hongbin Zhai","Total Synthesis of Absinthin","Journal of the American Chemical Society","2005","127","","18","19","10.1021/ja0439219","","","0.71073","MoKα","","0.1988","0.0564","","","0.1031","0.1387","","","","","","0.875","","","","has coordinates","277847","2022-09-14","22:27:43",""
"4060002","9.081","0.002","12.134","0.003","13.362","0.003","73.149","0.004","71.641","0.003","68.191","0.003","1272.2","0.5","128","2","128","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 F4 N6 Pt2 -","- C28 H18 F4 N6 Pt2 -","- C56 H36 F8 N12 Pt4 -","2","1","","Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson","Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes","Journal of the American Chemical Society","2005","127","","28","29","10.1021/ja044313w","","","0.71073","MoKα","","0.0511","0.0404","","","0.1036","0.1085","","","","","","1.026","","","","has coordinates","277847","2022-09-14","22:27:45",""
"4060003","10.157","0.003","10.574","0.003","15.057","0.004","103.412","0.004","100.633","0.004","101.514","0.004","1495.6","0.6","128","2","128","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 F4 N6 Pt2 -","- C32 H26 F4 N6 Pt2 -","- C64 H52 F8 N12 Pt4 -","2","1","","Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson","Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes","Journal of the American Chemical Society","2005","127","","28","29","10.1021/ja044313w","","","0.71073","MoKα","","0.0736","0.0558","","","0.1499","0.161","","","","","","1.07","","","","has coordinates","277847","2022-09-14","22:27:47",""
"4060004","10.0382","0.0018","20.024","0.004","17.864","0.003","90","","97.633","0.003","90","","3558.9","1.1","128","2","128","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 F4 N6 Pt2 -","- C38 H38 F4 N6 Pt2 -","- C152 H152 F16 N24 Pt8 -","4","1","","Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson","Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes","Journal of the American Chemical Society","2005","127","","28","29","10.1021/ja044313w","","","0.71073","MoKα","","0.0578","0.0396","","","0.1001","0.1126","","","","","","1.043","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060005","18.549","0.004","10.512","0.002","21.43","0.004","90","","101.912","0.003","90","","4088.7","1.4","128","2","128","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 F4 N6 Pt2 -","- C44 H50 F4 N6 Pt2 -","- C176 H200 F16 N24 Pt8 -","4","1","","Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson","Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes","Journal of the American Chemical Society","2005","127","","28","29","10.1021/ja044313w","","","0.71073","MoKα","","0.0492","0.0383","","","0.0914","0.1019","","","","","","1.062","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060006","8.5663","0.0009","9.4344","0.001","12.8913","0.0013","90.838","0.002","95.492","0.002","97.262","0.002","1028.37","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 B F2 N5 Pt -","- C21 H22 B F2 N5 Pt -","- C42 H44 B2 F4 N10 Pt2 -","2","1","","Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson","Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes","Journal of the American Chemical Society","2005","127","","28","29","10.1021/ja044313w","","","0.71073","MoKα","","0.0377","0.0341","","","0.0705","0.0714","","","","","","1.145","","","","has coordinates","277847","2022-09-14","22:27:47",""
"4060007","17.8302","0.0011","23.4425","0.0014","9.1356","0.0006","90","","90","","90","","3818.5","0.4","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H21 F6 N3 S -","- C17 H21 F6.003 N3 S -","- C136 H168 F48.024 N24 S8 -","8","1","","Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto","Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea","Journal of the American Chemical Society","2005","127","","119","125","10.1021/ja044370p","","","0.71073","MoKα","","0.0777","0.0675","","","0.1653","0.1731","","","","","","1.057","","","","has coordinates,has disorder","277847","2022-09-14","22:27:49",""
"4060008","8.34","0.01","11.15","0.01","8.538","0.008","90","","106.8","0.04","90","","760","1","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","","Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto","Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea","Journal of the American Chemical Society","2005","127","","119","125","10.1021/ja044370p","","","0.7107","MoKα","","","0.029","","","","0.04","","","","","","0.922","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060009","11.367","0.006","11.559","0.004","26.73","0.01","90","","90.02","0.02","90","","3511","2","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C160 H152 N8 O40 -","8","4","","Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto","Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea","Journal of the American Chemical Society","2005","127","","119","125","10.1021/ja044370p","","","0.7107","MoKα","","","0.052","","","","0.099","","","","","","0.823","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060010","8.509","0.005","11.225","0.008","23.33","0.01","90","","90","","90","","2228","2","93.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br Cl3 N O5 -","- C21 H19 Br Cl3 N O5 -","- C84 H76 Br4 Cl12 N4 O20 -","4","1","","Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto","Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea","Journal of the American Chemical Society","2005","127","","119","125","10.1021/ja044370p","","","0.7107","MoKα","","","0.027","","","","0.071","","","","","","1.025","","","","has coordinates","277847","2022-09-14","22:27:49",""
"4060011","14.09","0.0001","15.066","0.0002","18.405","0.0002","70.22","0.001","87.22","0.001","84.14","0.001","3656.88","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H67 Cl O18 -","- C69 H67 Cl O18 -","- C138 H134 Cl2 O36 -","2","1","","Taizoon Canteenwala; Prashant A. Padmawar; Long Y. Chiang","Intense Near-Infrared Optical Absorbing Emerald Green [60]Fullerenes","Journal of the American Chemical Society","2005","127","","26","27","10.1021/ja044409q","","","0.71073","MoKα","","0.1366","0.1136","","0.3839","0.346","","","","1.033","1.103","1.103","","","","","has coordinates","277847","2022-09-14","22:27:49",""
"4060012","9.796","0.002","12.566","0.005","15.497","0.005","71.611","0.013","86.79","0.02","83.47","0.02","1798.1","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H16 B2 F24 O4 -","- C34 H16 B2 F24 O4 -","- C68 H32 B4 F48 O8 -","2","1","","Stewart P. Lewis; Lee D. Henderson; Brett D. Chandler; Masood Parvez; Warren E. Piers; Scott Collins","Aqueous Suspension Polymerization of Isobutene Initiated by 1,2-C6F4[B(C6F5)2]2","Journal of the American Chemical Society","2005","127","","46","47","10.1021/ja0445387","","x-ray","0.71073","MoKα","","0.0933","0.0578","","","0.1475","0.1703","","","","","","1.015","","","","has coordinates","277847","2022-09-14","22:27:51",""
"4060013","11.615","0.003","6.6412","0.0019","14.076","0.004","90","","95.389","0.005","90","","1081","0.5","173","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","04017a","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C48 H54 N2 O12 -","2","1","","Jian Huang; Richard P. Hsung","Chiral Lewis Acid-Catalyzed Highly Enantioselective [4 + 3] Cycloaddition Reactions of Nitrogen-Stabilized Oxyallyl Cations Derived from Allenamides","Journal of the American Chemical Society","2005","127","","50","51","10.1021/ja044760b","","","","","","0.0719","0.0528","","","0.1276","0.1422","","","","","","1.092","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060014","9.2454","0.0008","34.141","0.003","10.872","0.001","90","0.002","109.476","0.002","90","0.002","3235.5","0.5","175.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H59 Ce -","- C34 H58 Ce F -","- C136 H232 Ce4 F4 -","4","1","","Laurent Maron; Evan L. Werkema; Lionel Perrin; Odile Eisenstein; Richard A. Andersen","Hydrogen for Fluorine Exchange in C6F6 and C6F5H by Monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and Computational Studies","Journal of the American Chemical Society","2005","127","","279","292","10.1021/ja0451012","","","","","","","0.0291","","","","0.0654","","","","","","1.306","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060015","10.14","0.0009","12.213","0.001","15.632","0.001","85.86","0.001","81.146","0.001","78.336","0.001","1871.7","0.3","122.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H58 Ce F5 -","- C40 H58 Ce F5 X0 -","- C80 H116 Ce2 F10 X0 -","2","1","","Maron, Laurent; Werkema, Evan L.; Perrin, Lionel; Eisenstein, Odile; Andersen, Richard A.","Hydrogen for Fluorine Exchange in C6F6 and C6F5H by Monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and Computational Studies","Journal of the American Chemical Society","2005","127","","279","292","10.1021/ja0451012","","","0.7107","MoKα","","","0.0404","","","","0.1011","","","","","","1.52","","","","has coordinates","277847","2022-09-14","22:27:51",""
"4060016","16.487","0.003","22.667","0.005","18.672","0.004","90","","90","","90","","6978","2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H55 Hf P Si6 -","- C25 H55 Hf P Si6 -","- C200 H440 Hf8 P8 Si48 -","8","1","","Roland Fischer; Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Synthesis of a Hafnocene Disilene Complex","Journal of the American Chemical Society","2005","127","","70","71","10.1021/ja0464387","","","0.71073","MoKα","","0.1059","0.071","","","0.1264","0.1384","","","","","","1.108","","","","has coordinates","277847","2022-09-14","22:27:54",""
"4060017","21.5254","0.0013","21.5254","0.0013","14.173","0.0012","90","","90","","120","","5687.2","0.7","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10.17 H11 Cl0.25 N O P2 -","- C10.1667 H15 Cl0.253333 N O P2 -","- C183 H270 Cl4.56 N18 O18 P36 -","18","1","","Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V.","Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^","Journal of the American Chemical Society","2005","127","1","331","336","10.1021/ja047238y","","","0.7107","MoKα","","0.1287","0.0628","","","0.1682","0.1949","","","","","","0.987","","","","has coordinates","270066","2021-10-23","16:45:43",""
"4060018","8.6521","0.0008","17.2931","0.0015","23.187","0.002","90","","90","","90","","3469.3","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O5 P2 W -","- C14 H15 N O5 P2 W -","- C112 H120 N8 O40 P16 W8 -","8","1","","Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V.","Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^","Journal of the American Chemical Society","2005","127","1","331","336","10.1021/ja047238y","","","0.71073","MoKα","","0.0756","0.0453","","","0.0898","0.0984","","","","","","1.059","","","","has coordinates","277847","2022-09-14","22:27:56",""
"4060019","6.5297","0.0004","13.6202","0.0009","19.8064","0.0013","90","","90","","90","","1761.5","0.2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Br N O4 P2 Re -","- C13 H15 Br N O4 P2 Re -","- C52 H60 Br4 N4 O16 P8 Re4 -","4","1","","Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V.","Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^","Journal of the American Chemical Society","2005","127","1","331","336","10.1021/ja047238y","","","0.71073","MoKα","","0.0301","0.0273","","","0.0651","0.0662","","","","","","1.065","","","","has coordinates","277847","2022-09-14","22:27:58",""
"4060020","7.5359","0.0012","14.847","0.002","7.8287","0.0012","90","","90","","90","","875.9","0.2","673","2","673","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd5 Ge1.95 Si2.05 -","- Gd5 Ge1.955 Si2.045 -","- Gd20 Ge7.82 Si8.18 -","4","0.5","","Yurij Mozharivskyj; Alexandra O. Pecharsky; Vitalij K. Pecharsky; Gordon J. Miller","On the High-Temperature Phase Transition of Gd5Si2Ge2","Journal of the American Chemical Society","2005","127","","317","324","10.1021/ja048679k","","","0.71073","MoKα","","0.0506","0.0377","","","0.0766","0.0809","","","","","","1.011","","","","has coordinates","277847","2022-09-14","22:27:58",""
"4060021","7.5856","0.0009","14.81","0.0016","7.7855","0.0009","90","","90","","93.223","0.002","873.26","0.17","293","2","293","2","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","","","- Gd5 Ge1.99 Si2.02 -","- Gd5 Ge1.983 Si2.017 -","- Gd20 Ge7.932 Si8.068 -","4","1","","Yurij Mozharivskyj; Alexandra O. Pecharsky; Vitalij K. Pecharsky; Gordon J. Miller","On the High-Temperature Phase Transition of Gd5Si2Ge2","Journal of the American Chemical Society","2005","127","","317","324","10.1021/ja048679k","","","0.71073","MoKα","","0.0493","0.0311","","","0.0545","0.0578","","","","","","0.967","","","","has coordinates","277847","2022-09-14","22:28:00",""
"4060193","16.046","0.004","7.434","0.002","20.025","0.005","90","","100.42","0.02","90","","2349.3","1.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 N6 O2 -","- C30 H22 N6 O2 -","- C120 H88 N24 O8 -","4","1","","Tomasz Fekner; Judith Gallucci; Michael K. Chan","Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands","Journal of the American Chemical Society","2004","126","","223","236","10.1021/ja030196d","","","0.71073","MoKα","","0.1277","0.1005","","0.1709","0.1627","","","","1.333","1.408","1.408","","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060194","17.985","0.002","26.557","0.004","12.191","0.001","90","","90","","90","","5823","1","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H20 N6 Ni O2 -","- C30 H20 N6 Ni O2 -","- C240 H160 N48 Ni8 O16 -","8","1","","Tomasz Fekner; Judith Gallucci; Michael K. Chan","Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands","Journal of the American Chemical Society","2004","126","","223","236","10.1021/ja030196d","","","0.71073","MoKα","","0.0858","0.0632","","0.1935","0.1828","","","","1.073","1.218","1.218","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060195","8.082","0.001","11.956","0.001","13.813","0.001","84.49","0.01","89.44","0.01","72.38","0.01","1266","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N6 Ni O4 -","- C32 H24 N6 Ni O4 -","- C64 H48 N12 Ni2 O8 -","2","1","","Tomasz Fekner; Judith Gallucci; Michael K. Chan","Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands","Journal of the American Chemical Society","2004","126","","223","236","10.1021/ja030196d","","","0.71073","MoKα","","0.0369","0.0302","","0.0792","0.076","","","","1.038","1.07","1.07","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060196","14.017","0.001","15.085","0.001","21.778","0.002","99.55","0.01","108.7","0.01","93.39","0.01","4270.1","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H78 Cl6 N12 Ni2 O9 -","- C96 H74 Cl6 N12 Ni2 O9 -","- C192 H148 Cl12 N24 Ni4 O18 -","2","1","","Tomasz Fekner; Judith Gallucci; Michael K. Chan","Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands","Journal of the American Chemical Society","2004","126","","223","236","10.1021/ja030196d","","","0.71073","MoKα","","0.0862","0.0634","","0.2042","0.1919","","","","1.099","1.204","1.204","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060197","16.3884","0.001","19.5173","0.001","19.9185","0.001","90","","90","","90","","6371.1","0.6","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tris(diethylether)ytterbium undecacarbonyl(tetracobalt)","","","- C23 H30 Co4 O14 Yb -","- C23 H25 Co4 O14 Yb -","- C184 H200 Co32 O112 Yb8 -","8","1","","Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays","Journal of the American Chemical Society","2004","126","","204","213","10.1021/ja0304852","","","0.71073","MoKα","","0.0779","0.0417","","","0.1015","0.1205","","","","","","1.058","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060198","16.3813","0.001","19.7197","0.001","20.0949","0.001","90","","90","","90","","6491.3","0.6","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tris(diethylether)europium undecacarbonyl(tetracobalt)","","","- C23 H30 Co4 Eu O14 -","- C23 H30 Co4 Eu O14 -","- C184 H240 Co32 Eu8 O112 -","8","1","","Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays","Journal of the American Chemical Society","2004","126","","204","213","10.1021/ja0304852","","","0.71073","MoKα","","0.0489","0.0349","","","0.0789","0.0847","","","","","","1.015","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060199","11.1607","0.001","16.3616","0.001","17.4351","0.001","90","","97.108","0.01","90","","3159.3","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis(diethylether)(tetrahydrofuran)ytterbium undecacarbon","","","- C23 H28 Co4 O14 Yb -","- C23 H10 Co4 O14 Yb -","- C92 H40 Co16 O56 Yb4 -","4","1","","Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays","Journal of the American Chemical Society","2004","126","","204","213","10.1021/ja0304852","","","0.71073","MoKα","","0.1001","0.0518","","","0.1139","0.1376","","","","","","1.022","","","","has coordinates,has disorder","178490","2020-10-21","18:00:00",""
"4060200","12.4723","0.001","17.2458","0.001","18.0452","0.001","90","","90","","90","","3881.4","0.4","200","2","200","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Pentakis(tetrahydrofuran)europium undecacarbonyl(tetracobalt)","","","- C31 H40 Co4 Eu O16 -","- C31 H36 Co4 Eu O16 -","- C124 H144 Co16 Eu4 O64 -","4","0.5","","Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays","Journal of the American Chemical Society","2004","126","","204","213","10.1021/ja0304852","","","0.71073","MoKα","","0.0444","0.033","","","0.0679","0.0712","","","","","","1.035","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060201","37.16","0.02","6.127","0.002","24.091","0.009","90","","111.392","0.007","90","","5106.8","3.2","113.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H29 N4 O2 -","- C31 H29 N4 O2 -","- C248 H232 N32 O16 -","8","1","","Shinsuke Hiraoka; Toshihiro Okamoto; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Keiji Okada","A Stable Radical-Substituted Radical Cation with Strongly Ferromagnetic Interaction: Nitronyl Nitroxide-Substituted 5,10-Diphenyl-5,10-dihydrophenazine Radical Cation","Journal of the American Chemical Society","2004","126","","58","59","10.1021/ja0367748","","","0.7107","MoKα","","","0.07","","","","0.088","","","","","","1.142","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060202","10.2817","0.001","11.2323","0.0011","15.539","0.002","80.704","0.01","77.666","0.01","64.483","0.007","1577.2","0.3","113.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H31 Cl3 N4 O6 -","- C32 H31 Cl3 N4 O6 -","- C64 H62 Cl6 N8 O12 -","2","1","","Shinsuke Hiraoka; Toshihiro Okamoto; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Keiji Okada","A Stable Radical-Substituted Radical Cation with Strongly Ferromagnetic Interaction: Nitronyl Nitroxide-Substituted 5,10-Diphenyl-5,10-dihydrophenazine Radical Cation","Journal of the American Chemical Society","2004","126","","58","59","10.1021/ja0367748","","","0.7107","MoKα","","","0.045","","","","0.065","","","","","","0.989","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060203","5.477","0.005","11.963","0.005","19.287","0.005","95.137","0.005","93.217","0.005","96.157","0.005","1248.6","1.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","4-(4'-octyloxystyryl)pyridinato pentafluoroiodobenzene","","- C27 H27 F5 I N O -","- C27 H27 F5 I N O -","- C54 H54 F10 I2 N2 O2 -","2","1","","H. Loc Nguyen; Peter N. Horton; Michael B. Hursthouse; Anthony C. Legon; Duncan W. Bruce","Halogen Bonding: A New Interaction for Liquid Crystal Formation","Journal of the American Chemical Society","2004","126","","16","17","10.1021/ja036994l","","","0.71073","MoKα","","0.0565","0.0373","","","0.0731","0.0785","","","","","","1.04","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060204","5.2258","0.0005","8.7007","0.0009","22.97","0.002","90","","90","","90","","1044.42","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ala-gly-gly HCl","alanyl-glycyl-glycine hydrochloride","","- C7 H14 Cl N3 O4 -","- C7 H14 Cl N3 O4 -","- C28 H56 Cl4 N12 O16 -","4","1","","Chekmenev, Eduard Y.; Zhang, Qianwen; Waddell, Kevin W.; Mashuta, Mark S.; Wittebort, Richard J.","15N Chemical Shielding in Glycyl Tripeptides: Measurement by Solid-State NMR and Correlation with X-ray Structure","Journal of the American Chemical Society","2004","126","1","379","384","10.1021/ja0370342","","","0.71073","MoKα","","0.053","0.048","","","0.106","0.109","","","","","","1.05","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060205","6.989","0.0008","8.2684","0.001","21.834","0.003","90","","90","","90","","1261.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","gly-gly-val HCl","glycyl-glycyl-valine hydrochloride","","- C9 H18 Cl N3 O4 -","- C9 H18 Cl N3 O4 -","- C36 H72 Cl4 N12 O16 -","4","1","","Chekmenev, Eduard Y.; Zhang, Qianwen; Waddell, Kevin W.; Mashuta, Mark S.; Wittebort, Richard J.","15N Chemical Shielding in Glycyl Tripeptides: Measurement by Solid-State NMR and Correlation with X-ray Structure","Journal of the American Chemical Society","2004","126","1","379","384","10.1021/ja0370342","","","0.71073","MoKα","","0.027","0.024","","","0.054","0.055","","","","","","1.01","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060206","13.6343","0.0014","14.1508","0.0014","23.889","0.002","86.844","0.002","82.792","0.002","71.115","0.002","4325.9","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H44 N6 O19 S4 -","- C25 H20 N6 O15 -","- C100 H80 N24 O60 -","4","2","","Lara A. Estroff; Christopher D. Incarvito; Andrew D. Hamilton","Design of a Synthetic Foldamer that Modifies the Growth of Calcite Crystals","Journal of the American Chemical Society","2004","126","","2","3","10.1021/ja037614z","","","0.71073","MoKα","","0.1871","0.1289","","","0.3155","0.333","","","","","","1.479","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060207","7.7607","0.0004","10.097","0.001","13.895","0.001","89","2","84.063","0.003","70.988","0.003","1023.6","0.2","93.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 N8 -","- C24 H19 N8 -","- C48 H38 N16 -","2","1","","Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura","Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3","Journal of the American Chemical Society","2004","126","","291","294","10.1021/ja0377697","","","0.7107","MoKα","","","0.056","","","","0.097","","","","","","0.44","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060208","7.8164","0.0007","10.3585","0.0003","14.02","0.001","88","2","83.944","0.003","69.911","0.003","1060","0.1","473.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 N8 -","- C24 H19 N8 -","- C48 H38 N16 -","2","1","","Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura","Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3","Journal of the American Chemical Society","2004","126","","291","294","10.1021/ja0377697","","","0.7107","MoKα","","","0.073","","","","0.072","","","","","","0.674","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060209","7.8153","0.0005","10.186","0.0003","14.02","0.0007","89","2","84.021","0.003","70.743","0.003","1047.51","0.09","100.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 N8 -","- C24 H19 N8 -","- C48 H38 N16 -","2","1","","Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura","Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3","Journal of the American Chemical Society","2004","126","","291","294","10.1021/ja0377697","","","0.7107","MoKα","","","0.052","","","","0.042","","","","","","0.429","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060210","7.851","0.001","10.454","0.002","14.074","0.003","88","2","83.455","0.008","69.668","0.007","1075.8","0.4","373.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 N8 -","- C24 H19 N8 -","- C48 H38 N16 -","2","1","","Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura","Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3","Journal of the American Chemical Society","2004","126","","291","294","10.1021/ja0377697","","","0.7107","MoKα","","","0.069","","","","0.088","","","","","","0.902","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060211","9.1306","0.0005","13.241","0.0007","24.7714","0.0014","90","","94.356","0.001","90","","2986.2","0.3","446","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 Cl2 P2 Zr -","- C28 H44 Cl2 P2 Zr -","- C112 H176 Cl8 P8 Zr4 -","4","1","","Eugene Y.-X. Chen; Richard E. Campbell; David D. Devore; D. Patrick Green; Bernie Link; Jorge Soto; David R. Wilson; Khalil A. Abboud","Divalentansa-Zirconocenes: Stereoselective Synthesis and High Activity for Propylene Polymerization","Journal of the American Chemical Society","2004","126","","42","43","10.1021/ja0381611","","","0.71073","MoKα","","0.0734","0.0337","","","0.0615","0.0664","","","","","","0.808","","","","has coordinates,has disorder","178491","2020-10-21","18:00:00",""
"4060212","12.3585","0.0001","12.4741","0.0002","16.6548","0.0003","95.175","0.001","95.375","0.001","113.504","0.001","2321.16","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C60.5 H56 Si Zr -","- C60.5 H55.5 Si Zr -","- C121 H111 Si2 Zr2 -","2","1","","Eugene Y.-X. Chen; Richard E. Campbell; David D. Devore; D. Patrick Green; Bernie Link; Jorge Soto; David R. Wilson; Khalil A. Abboud","Divalentansa-Zirconocenes: Stereoselective Synthesis and High Activity for Propylene Polymerization","Journal of the American Chemical Society","2004","126","","42","43","10.1021/ja0381611","","","0.71073","MoKα","","0.0386","0.0317","","","0.082","0.084","","","","","","1.029","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060213","26.7687","0.0011","8.7564","0.0003","8.0887","0.0004","90","","91.063","0.002","90","","1895.64","0.14","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Cp2Zr(mu:hapto-2:hapto2-1,2,3-butatriene)Zr(PMe3)Cp2 6","","- C22 H30 Zr -","- C22 H30 Zr -","- C88 H120 Zr4 -","4","1","","Noriyuki Suzuki; Naoto Aihara; Hidemichi Takahara; Takaaki Watanabe; Masakazu Iwasaki; Masahiko Saburi; Daisuke Hashizume; Teiji Chihara","Synthesis and Structure of 1-Zirconacyclopent-3-yne Complexes without Substituents Adjacent to the Triple Bond","Journal of the American Chemical Society","2004","126","","60","61","10.1021/ja0385742","","","0.71073","MoKα","","0.0381","0.0303","","","0.0667","0.0688","","","","","","1.151","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060214","10.5259","0.0002","33.0858","0.0004","8.2256","0.0001","90","","105.661","0.0005","90","","2758.28","0.07","200.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 P Zr2 -","- C27 H33 P Zr2 -","- C108 H132 P4 Zr8 -","4","1","","Noriyuki Suzuki; Naoto Aihara; Hidemichi Takahara; Takaaki Watanabe; Masakazu Iwasaki; Masahiko Saburi; Daisuke Hashizume; Teiji Chihara","Synthesis and Structure of 1-Zirconacyclopent-3-yne Complexes without Substituents Adjacent to the Triple Bond","Journal of the American Chemical Society","2004","126","","60","61","10.1021/ja0385742","","","0.7107","MoKα","","","0.0409","","","","0.1316","","","","","","1.707","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060215","11.715","0.002","10.248","0.002","15.159","0.003","90","","91.81","0.02","90","","1819","0.7","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","manganese(II) formate dioxane solvate","","","- C3.33 H4.67 Mn O4.67 -","- C3.33333 H4.66667 Mn O4.66667 -","- C40 H56 Mn12 O56 -","12","3","","Danil N. Dybtsev; Hyungphil Chun; Sun Hong Yoon; Dongwoo Kim; Kimoon Kim","Microporous Manganese Formate: A Simple Metal-Organic Porous Material with High Framework Stability and Highly Selective Gas Sorption Properties","Journal of the American Chemical Society","2004","126","","32","33","10.1021/ja038678c","","","0.71073","MoKα","","0.0604","0.0507","","","0.1242","0.1303","","","","","","1.041","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060216","11.7203","0.0012","10.207","0.0011","14.9556","0.0015","90","","91.439","0.002","90","","1788.6","0.3","243","2","243","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","manganese(II) formate","","","- C2 H2 Mn O4 -","- C2 H2 Mn O4 -","- C24 H24 Mn12 O48 -","12","3","","Danil N. Dybtsev; Hyungphil Chun; Sun Hong Yoon; Dongwoo Kim; Kimoon Kim","Microporous Manganese Formate: A Simple Metal-Organic Porous Material with High Framework Stability and Highly Selective Gas Sorption Properties","Journal of the American Chemical Society","2004","126","","32","33","10.1021/ja038678c","","","0.71073","MoKα","","0.0595","0.0497","","","0.1177","0.1225","","","","","","1.084","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060217","12.8962","0.0014","8.3888","0.0009","11.6442","0.0013","90","","90","","90","","1259.7","0.2","223","2","223","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C2 H2 Mn O4 -","- C6 H6 Mn3 O12 -","- C24 H24 Mn12 O48 -","4","1","","Danil N. Dybtsev; Hyungphil Chun; Sun Hong Yoon; Dongwoo Kim; Kimoon Kim","Microporous Manganese Formate: A Simple Metal-Organic Porous Material with High Framework Stability and Highly Selective Gas Sorption Properties","Journal of the American Chemical Society","2004","126","","32","33","10.1021/ja038678c","","","0.71073","MoKα","","0.0473","0.044","","","0.1097","0.1118","","","","","","1.033","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062739","14.903","0.008","10.168","0.002","20.654","0.01","89","","89","","90","","3129","4","293.2","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H30 F12 Fe4 O2 P2 -","- C28 F12 Fe4 O2 P2 -","- C112 F48 Fe16 O8 P8 -","4","0.5","","Masaaki Okazaki; Takeo Ohtani; Hiroshi Ogino","Reversible Cleavage and Recombination of an Acetylenic Carbon-Carbon Bond on a Tetrairon Cluster Coupled with a Two-Electron Redox Reaction","Journal of the American Chemical Society","2004","126","","4104","4105","10.1021/ja049720m","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062742","9.353","0.001","15.634","0.001","32.792","0.004","90","","98.174","0.008","90","","4746","0.8","150.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 Fe8 O4 -","- C56 H60 Fe8 O4 -","- C224 H240 Fe32 O16 -","4","1","","Masaaki Okazaki; Takeo Ohtani; Hiroshi Ogino","Reversible Cleavage and Recombination of an Acetylenic Carbon-Carbon Bond on a Tetrairon Cluster Coupled with a Two-Electron Redox Reaction","Journal of the American Chemical Society","2004","126","","4104","4105","10.1021/ja049720m","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062792","11.128","0.0018","11.1646","0.0018","13.098","0.002","84.261","0.003","84.977","0.003","80.62","0.003","1593.3","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 N P2 Rh -","- C38 H36 N P2 Rh -","- C76 H72 N2 P4 Rh2 -","2","1","","Krug, Christopher; Hartwig, John F.","Imine Insertion into a Late Metal–Carbon Bond To Form a Stable Amido Complex","Journal of the American Chemical Society","2004","126","9","2694","2695","10.1021/ja038819a","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062793","20.443","0.004","13.454","0.003","20.069","0.004","90","","110.31","0.03","90","","5176.4","1.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H59 N2 O2 P2 Rh -","- C61 H51 N2 O2 P2 Rh -","- C244 H204 N8 O8 P8 Rh4 -","4","1","","Krug, Christopher; Hartwig, John F.","Imine Insertion into a Late Metal‒Carbon Bond To Form a Stable Amido Complex","Journal of the American Chemical Society","2004","126","9","2694","2695","10.1021/ja038819a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219031","2020-10-21","18:00:00",""
"4062795","14.72","0.003","29.946","0.006","18.379","0.004","90","","98.62","0.03","90","","8010","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 N O P2 Rh -","- C48 H44 N O P2 Rh -","- C384 H352 N8 O8 P16 Rh8 -","8","1","","Krug, Christopher; Hartwig, John F.","Imine Insertion into a Late Metal‒Carbon Bond To Form a Stable Amido Complex","Journal of the American Chemical Society","2004","126","9","2694","2695","10.1021/ja038819a","","","","","","","","","","","","","","","","","","","","","has coordinates","219031","2020-10-21","18:00:00",""
"4062964","19.2002","0.0011","12.8053","0.0007","23.2887","0.0013","90","","110.996","0.001","90","","5345.7","0.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 B F3 Mo N9 O4 S -","- C20 H25 B F3 Mo N9 O4 S -","- C160 H200 B8 F24 Mo8 N72 O32 S8 -","8","2","","Joseph M. Keane; Mahendra D. Chordia; Christopher J. Mocella; Michal Sabat; Carl O. Trindle; W. Dean Harman","Transition Metal-Stabilized Arenium Cations: Protonation of Arenes Dihapto-Coordinated to π-Basic Metal Fragments","Journal of the American Chemical Society","2004","126","","6806","6815","10.1021/ja039824h","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4100000","18.0757","0.001","16.097","0.0009","20.6888","0.0011","90","","104.687","0.001","90","","5823","0.6","150","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 N2 Ni O3 -","- C30 H36 N2 Ni O3 -","- C240 H288 N16 Ni8 O24 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438821","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100001","11.0032","0.0012","9.6385","0.0011","14.3586","0.0016","90","","90","","90","","1522.8","0.3","150","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H25 Cl N2 Ni -","- C14 H25 Cl N2 Ni -","- C56 H100 Cl4 N8 Ni4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438821","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100002","11.2997","0.0012","9.7379","0.0011","14.7603","0.0016","90","","90","","90","","1624.2","0.3","150","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H25 Br N2 Ni -","- C14 H25 Br N2 Ni -","- C56 H100 Br4 N8 Ni4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438821","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100003","7.7145","0.0016","8.3682","0.0018","19.411","0.004","78.551","0.004","88.502","0.004","69.455","0.004","1148.8","0.4","150","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N2 Ni O3 -","- C24 H24 N2 Ni O3 -","- C48 H48 N4 Ni2 O6 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438821","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100004","18.275","0.0009","16.387","0.0008","31.1987","0.0015","90","","90.476","0.001","90","","9342.8","0.8","150","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 Ni O3 -","- C24 H26 N2 Ni O3 -","- C384 H416 N32 Ni16 O48 -","16","4","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438821","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100005","8.94","0.0007","20.5564","0.0016","16.0631","0.0012","90","","105.736","0.002","90","","2841.3","0.4","150","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 N2 Ni O3 -","- C30 H38 N2 Ni O3 -","- C120 H152 N8 Ni4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438821","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100006","13.649","0.003","25.077","0.005","22.742","0.004","90","","91.952","0.004","90","","7779","2","193.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H86 Fe2 N8 O10 P2 -","- C86 H86 Fe2 N8 O10 P2 -","- C344 H344 Fe8 N32 O40 P8 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0460458","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100007","14.084","0.001","15.38","0.002","24.082","0.002","97.723","0.008","100.09","0.01","117.146","0.006","4431.4","0.9","193.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C97 H98 F3 Fe2 N8 O13.5 P2 -","- C97 H98 F3 Fe2 N8 O13.5 P2 -","- C194 H196 F6 Fe4 N16 O27 P4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0460458","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100008","7.3844","0.0015","15.64","0.003","22.541","0.005","105.37","0.03","96.51","0.03","91.82","0.03","2488.8","0.9","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H41 B2 O4 Rh -","- C22 H41 B2 O4 Rh -","- C88 H164 B8 O16 Rh4 -","4","2","","Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B.","Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes","Journal of the American Chemical Society","2005","","","","","10.1021/ja045090c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100009","13.798","0.003","14.718","0.003","17.139","0.003","73.3","0.03","89.38","0.03","78.95","0.03","3268.1","1.1","113","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H52 B3 O6 Rh -","- C28 H52 B3 O6 Rh -","- C112 H208 B12 O24 Rh4 -","4","2","","Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B.","Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes","Journal of the American Chemical Society","2005","","","","","10.1021/ja045090c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100010","10.43","0.002","11.785","0.002","17.455","0.004","74.18","0.03","87.53","0.03","66.22","0.03","1883.6","0.7","183","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H55 B O2 P Rh -","- C37 H49 B O2 P Rh -","- C74 H98 B2 O4 P2 Rh2 -","2","1","","Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B.","Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes","Journal of the American Chemical Society","2005","","","","","10.1021/ja045090c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100011","18.496","0.004","20.128","0.004","19.179","0.004","90","","116.33","0.03","90","","6399","2","123","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H54 B2 O4 P Rh -","- C28 H54 B2 O4 P Rh -","- C224 H432 B16 O32 P8 Rh8 -","8","2","","Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B.","Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes","Journal of the American Chemical Society","2005","","","","","10.1021/ja045090c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178746","2020-10-21","18:00:00",""
"4100012","7.2615","0.0006","8.7028","0.0007","11.485","0.0009","104.878","0.0013","100.648","0.0015","98.4852","0.0014","674.7","0.09","193","2","","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H42 Si2 -","- C26 H42 Si2 -","- C26 H42 Si2 -","1","0.5","","Eisler, Sara; .; Slepkov, Aaron D.; .; Elliott, Erin; .; Luu, Thanh; .; McDonald, Robert; .; Hegmann, Frank A.; .; Tykwinski, Rik R.; .","Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja044526l","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100013","21.699","0.003","7.8425","0.0011","16.242","0.002","90","","90.184","0.003","90","","2764","0.7","193","2","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 Si2 -","- C28 H42 Si2 -","- C112 H168 Si8 -","4","0.5","","Eisler, Sara; .; Slepkov, Aaron D.; .; Elliott, Erin; .; Luu, Thanh; .; McDonald, Robert; .; Hegmann, Frank A.; .; Tykwinski, Rik R.; .","Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja044526l","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100014","8.2757","0.0006","13.4444","0.0011","13.9444","0.0011","90","","97.7225","0.0016","90","","1537.4","0.2","193","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 Si2 -","- C30 H42 Si2 -","- C60 H84 Si4 -","2","0.5","","Eisler, Sara; Slepkov, Aaron D.; Elliott, Erin; Luu, Thanh; McDonald, Robert; Hegmann, Frank A.; Tykwinski, Rik R.","Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja044526l","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100015","7.6441","0.0014","12.485","0.002","18.3","0.003","70.701","0.004","82.758","0.004","80.5","0.004","1620.9","0.5","193","2","","","","","","","","","","3","P -1","-P 1","2","","","","- C34 H42 Si2 -","- C34 H42 Si2 -","- C68 H84 Si4 -","2","1","","Eisler, Sara; .; Slepkov, Aaron D.; .; Elliott, Erin; .; Luu, Thanh; .; McDonald, Robert; .; Hegmann, Frank A.; .; Tykwinski, Rik R.; .","Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja044526l","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100016","9.7619","0.0007","10.3789","0.0008","21.056","0.002","90","","95.506","0.001","90","","2123.5","0.3","273.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 N O2 P -","- C27 H24 N O2 P -","- C108 H96 N4 O8 P4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044461m","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100017","9.932","0.001","18.201","0.001","8.7778","0.0009","99.675","0.003","90.281","0.004","99.129","0.004","1543.7","0.3","293.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044194k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100018","6.0537","0.0004","17.481","0.0012","19.469","0.0013","90","","90","","90","","2060.3","0.2","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Xia, Wujiong; Yang, Chao; Patrick, Brian O.; Scheffer, John R.; Scott, Carl","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043254j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100019","10.437","0.0005","18.322","0.001","11.697","0.0004","90","","121.391","0.003","90","","1909.38","0.15","130","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Fe N3 O -","- C22 H17 Fe N3 O -","- C88 H68 Fe4 N12 O4 -","4","1","","Liao, Yi; Kaminsky, Werner","Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores","Journal of the American Chemical Society","2005","","","","","10.1021/ja0449123","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100020","10.003","0.0003","11.271","0.0003","14.935","0.0005","70.166","0.0013","89.948","0.0013","76.818","0.0019","1536.82","0.08","130","2","","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H25 Cl4 Fe N3 O S -","- C30 H25 Cl4 Fe N3 O S -","- C60 H50 Cl8 Fe2 N6 O2 S2 -","2","1","","Liao, Yi; Robinson, Bruce; Kaminsky, Werner; Benedict, Jason","Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores","Journal of the American Chemical Society","2005","","","","","10.1021/ja0449123","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100021","13.47","0.0019","14.161","0.0017","14.661","0.002","73.342","0.009","64.348","0.005","68.832","0.008","2322.4","0.5","130","2","","","","","","","","","","7","P -1","-P 1","2","","","","- C27.2 H16.39 Cl0.39 F3 Fe N3 O -","- C27.1965 H16.393 Cl0.393 F3 Fe N3 O -","- C108.786 H65.572 Cl1.572 F12 Fe4 N12 O4 -","4","2","","Liao, Yi; Robinson, Bruce; Kaminsky, Werner","Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores","Journal of the American Chemical Society","2005","","","","","10.1021/ja0449123","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100022","28.041","0.0011","15.294","0.0009","19.322","0.0009","90","","131.96","0.003","90","","6161.9","0.5","130","2","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 Cl2 F3 Fe N3 O S -","- C34 H22 Cl2 F3 Fe N3 O S -","- C272 H176 Cl16 F24 Fe8 N24 O8 S8 -","8","1","","Liao, Yi; Robinson, Bruce; Kaminsky, Werner; Benedict, Jason","Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores","Journal of the American Chemical Society","2005","","","","","10.1021/ja0449123","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100023","8.257","0.003","8.37","0.002","21.383","0.008","90","","100.054","0.016","90","","1455.1","0.8","173","2","","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C23 H33 B2 Cl2 F3 N4 O3 S -","- C23 H33 B2 Cl2 F3 N4 O3 S -","- C46 H66 B4 Cl4 F6 N8 O6 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050129e","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100024","12.506","0.003","20.434","0.003","16.308","0.004","90","","106.907","0.01","90","","3987.3","1.5","173","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 B2 N4 O5 W -","- C40 H52 B2 N4 O5 W -","- C160 H208 B8 N16 O20 W4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050129e","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100025","17.75","0.002","41.914","0.005","7.9239","0.001","90","","90","","90","","5895.2","1.3","125","1","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C29 H46 B2 N4 -","- C29 H46 B2 N4 -","- C232 H368 B16 N32 -","8","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050129e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100026","15.856","0.001","9.4706","0.0008","20.2922","0.0014","90","","112.441","0.004","90","","2816.4","0.4","160","1","","","","","","","","","","4","C 1 2 1","C 2y","5","","1,5-bis-(1-cyclohexyl-4-hydroxy-4-methyl-3-oxopentyl)-1-methyl-1H-pyrrole","","- C29 H47 N O4 -","- C29 H47 N O4 -","- C116 H188 N4 O16 -","4","1","","Palomo, Claudio; Oiarbide, Mikel; Kardak, Bharat G.; García, Jesús; Linden, Anthony","α'-Hydoxy Enones as New Templates for Cu(II)-Catalyzed Enantioselective Pyrrole and Indole Friedel-Crafts Alkylations","Journal of the American Chemical Society","2005","","","","","10.1021/ja0423217","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100027","11.3456","0.001","21.6734","0.0019","19.3685","0.0017","90","","101.026","0.002","90","","4674.8","0.7","138","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H78 Sm2 -","- C50 H78 Sm2 -","- C200 H312 Sm8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044529y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178746","2020-10-21","18:00:00",""
"4100028","9.978","0.003","17.896","0.006","18.049","0.006","90","","93.665","0.006","90","","3216.3","1.8","218","2","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 Co O2 P S Si -","- C35 H36 Co O2 P S Si -","- C140 H144 Co4 O8 P4 S4 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050160g","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100029","17.381","0.003","5.8345","0.001","11.3055","0.0018","90","","112.239","0.002","90","","1061.2","0.3","173","2","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H24 Co2 S2 -","- C24 H24 Co2 S2 -","- C48 H48 Co4 S4 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050160g","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100030","9.0966","0.0012","10.7124","0.0014","17.936","0.002","74.952","0.002","89.251","0.002","75.278","0.002","1629.8","0.4","218","2","","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H36 Co O P S Si -","- C35 H36 Co O P S Si -","- C70 H72 Co2 O2 P2 S2 Si2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050160g","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100031","20.4171","0.0006","16.487","0.0005","18.8953","0.0006","90","","91.321","0.001","90","","6358.8","0.3","100","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66 H86 N6 O10 S2 -","- C66 H86 N6 O10 S2 -","- C264 H344 N24 O40 S8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042208g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178746","2020-10-21","18:00:00",""
"4100032","9.537","0.0003","26.9572","0.0009","12.3589","0.0004","90","","109.968","0.002","90","","2986.35","0.17","100","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H39 Cl2 N3 O4 -","- C32 H35 Cl2 N3 O4 -","- C128 H140 Cl8 N12 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042208g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178746","2020-10-21","18:00:00",""
"4100033","13.958","0.003","7.5579","0.0017","15.236","0.003","90","","114.6","0.004","90","","1461.4","0.6","173","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 Cl F4 N3 -","- C17 H10 Cl F4 N3 -","- C68 H40 Cl4 F16 N12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100034","6.8075","0.0007","9.0631","0.001","13.4888","0.0015","70.863","0.002","78.833","0.002","75.604","0.002","755.8","0.14","173","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 Cl F4 N3 -","- C17 H10 Cl F4 N3 -","- C34 H20 Cl2 F8 N6 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100035","7.5926","0.0012","12.408","0.002","15.483","0.003","90","","90","","90","","1458.7","0.4","163","2","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H13 F4 N -","- C19 H13 F4 N -","- C76 H52 F16 N4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100036","7.711","0.002","11.939","0.004","15.819","0.005","91.697","0.006","90.421","0.005","98.628","0.005","1439.1","0.7","173","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 F4 N2 -","- C18 H12 F4 N2 -","- C72 H48 F16 N8 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100037","8.546","0.0006","9.43","0.0008","11.165","0.0007","73.016","0.004","82.571","0.005","81.014","0.004","846.6","0.1","273.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F3 O5 S -","- C17 H13 F3 O5 S -","- C34 H26 F6 O10 S2 -","2","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100038","10.033","0.0002","11.953","0.0005","16.295","0.0007","90","","90","","90","","1954.2","0.1","273.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 O6 P -","- C20 H23 O6 P -","- C80 H92 O24 P4 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100039","7.334","0.0003","19.543","0.0004","9.082","0.0004","90","","90","","90","","1301.7","0.1","273.2","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H12 Br2 O -","- C27 H18 Br4 O -","- C108 H72 Br16 O4 -","4","0.5","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100040","13.91","0.0003","19.228","0.0005","23.515","0.0007","90","","90","","90","","6289.4","0.3","150","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H31 F6 K O8 -","- C29 H31 F6 K O8 -","- C232 H248 F48 K8 O64 -","8","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218965","2020-10-21","18:00:00",""
"4100041","16.378","0.0006","7.467","0.0002","16.966","0.0006","90","","105.007","0.002","90","","2004.1","0.1","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 B N2 O2 -","- C24 B N2 O2 -","- C96 B4 N8 O8 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218966","2020-10-21","18:00:00",""
"4100042","10.726","0.0004","12.542","0.0004","13.08","0.0004","90","","91.437","0.002","90","","1759.04","0.09","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 B N2 -","- C20 H25 B N2 -","- C80 H100 B4 N8 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218966","2020-10-21","18:00:00",""
"4100043","12.777","0.0004","12.551","0.0006","10.72","0.0005","90","","90.546","0.003","90","","1719","0.1","273.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 B Cl2 N2 -","- C18 H19 B Cl2 N2 -","- C72 H76 B4 Cl8 N8 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100044","11.962","0.0004","7.228","0.0001","20.281","0.0007","90","","100.49","0.001","90","","1724.21","0.07","273.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H17 B O4 -","- C22 H17 B O4 -","- C88 H68 B4 O16 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100045","9.867","0.0004","14.292","0.0006","14.081","0.0004","90","","90","","90","","1985.7","0.1","273.2","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H19 B O5 -","- C23 H19 B O5 -","- C92 H76 B4 O20 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100046","8.493","0.0002","14.313","0.0006","15.954","0.0008","90","","90","","90","","1939.4","0.1","273.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H17 B O2 S2 -","- C36 H29 B O4 S2 -","- C144 H116 B4 O16 S8 -","4","0.5","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100047","18.729","0.0008","13.177","0.0005","21.8","0.0009","90","","111.059","0.002","90","","5020.7","0.3","273.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 B O4 -","- C18 H19 B O4 -","- C216 H228 B12 O48 -","12","3","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100048","12.187","0.0004","6.823","0.0002","32.524","0.001","90","","90","","90","","2704.4","0.2","273.2","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H13 B F2 O2 -","- C16 H13 B F2 O2 -","- C128 H104 B8 F16 O16 -","8","2","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100049","6.95","0.0002","9.08","0.0002","11.323","0.0004","90","","90","","90","","714.55","0.04","273.2","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C16 H13 B Cl2 O2 -","- C16 H17 B Cl4 O2 -","- C32 H34 B2 Cl8 O4 -","2","0.5","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100050","6.642","0.005","12.169","0.005","15.118","0.005","90","","91.913","0.005","90","","1221.3","1.1","293","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100051","10.153","0.0005","7.248","0.0002","17.358","0.0009","90","","106.064","0.002","90","","1227.48","0.09","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H7 Br3 -","- C14 H7 Br3 -","- C56 H28 Br12 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100052","25.057","0.003","25.057","0.003","8.371","0.0005","90","","90","","90","","5255.8","0.7","273.2","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C17 H13 N O2 -","- C17 H14 N O2 -","- C272 H224 N16 O32 -","16","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100053","10.981","0.002","14.701","0.004","13.43","0.003","90","","107.81","0.02","90","","2064.2","0.8","273.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 B2 F7 O4 -","- C19 H19 B2 F7 O4 -","- C76 H76 B8 F28 O16 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100054","16.537","0.005","12.438","0.004","12.723","0.004","90","","90.155","0.005","90","","2617","1.4","173","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H42 Ni Si4 -","- C18 H42 Ni Si4 -","- C72 H168 Ni4 Si16 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044308s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178746","2020-10-21","18:00:00",""
"4100055","10.969","0.001","19.144","0.002","12.491","0.002","90","","103.151","0.002","90","","2554.1","0.5","173","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H42 Ni Si4 -","- C18 H42 Ni Si4 -","- C72 H168 Ni4 Si16 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044308s","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100056","12.364","0.0008","10.2697","0.0007","21.0044","0.0014","90","","99.389","0.001","90","","2631.3","0.3","173","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Ni Si4 -","- C18 H42 Ni Si4 -","- C72 H168 Ni4 Si16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044308s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178746","2020-10-21","18:00:00",""
"4100057","14.819","0.007","23.37","0.01","11.251","0.005","90","","130.197","0.008","90","","2976","2","173","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H42 Br2 Ni2 Si4 -","- C18 H42 Br2 Ni2 Si4 -","- C72 H168 Br8 Ni8 Si16 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044308s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178746","2020-10-21","18:00:00",""
"4100058","16.448","0.004","19.038","0.004","19.669","0.004","90","","90","","90","","6159","2","173","2","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H42 I2 Ni2 Si4 -","- C18 H42 I2 Ni2 Si4 -","- C144 H336 I16 Ni16 Si32 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044308s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100059","10.7634","0.0009","12.8715","0.0009","13.466","0.001","84.967","0.004","87.007","0.004","80.751","0.003","1832.9","0.2","100.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100060","10.774","0.001","12.901","0.001","13.481","0.001","84.828","0.004","86.932","0.004","80.859","0.003","1841","0.3","125.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100061","10.7902","0.0007","12.9099","0.0007","13.4876","0.0008","84.719","0.003","86.876","0.003","80.733","0.003","1844.9","0.2","145.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100062","10.8075","0.0005","12.9228","0.0006","13.4987","0.0008","84.676","0.001","86.905","0.001","80.678","0.002","1850.9","0.1","145.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100063","10.81","0.002","12.929","0.003","13.526","0.003","84.43","0.006","86.974","0.006","80.52","0.009","1854.5","0.6","180.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H36 Cs N3 Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100064","10.821","0.002","12.935","0.003","13.566","0.003","84.37","0.006","87.094","0.005","80.51","0.01","1862.6","0.6","195.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100065","10.804","0.001","12.906","0.002","13.573","0.002","84.226","0.004","87.3","0.004","80.552","0.003","1856.5","0.4","210.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100066","10.798","0.003","12.928","0.002","13.642","0.003","84.02","0.01","87.631","0.008","80.447","0.007","1867.2","0.7","225.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100067","10.802","0.002","12.956","0.004","13.709","0.003","83.92","0.01","87.898","0.009","80.611","0.009","1881.8","0.7","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9.09 S10 -","- C48 H72 Cs2 Ni2 O18.18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100068","10.774","0.003","12.977","0.005","13.751","0.003","84.03","0.01","88.06","0.01","80.62","0.01","1886.3","0.9","260.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100069","10.782","0.003","13.05","0.005","13.818","0.004","84.03","0.02","87.93","0.01","80.58","0.01","1907.3","0.1","280.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100070","10.787","0.003","13.061","0.004","13.808","0.003","83.94","0.01","88.09","0.01","80.613","0.009","1908.4","0.9","300.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100071","7.3798","0.0006","13.422","0.0008","13.582","0.0009","90","","100.51","0.01","90","","1322.7","0.2","100","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Fe N2 S4 -","- C24 H40 Fe N2 S4 -","- C48 H80 Fe2 N4 S8 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042803i","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100072","11.4045","0.0006","13.0763","0.0006","31.143","0.002","90","","93.2","0.01","90","","4637.1","0.4","100","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H58 As Co S4 -","- C47 H58 As Co S4 -","- C188 H232 As4 Co4 S16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042803i","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100073","9.9942","0.0009","9.5495","0.0008","33.038","0.003","90","","95.405","0.001","90","","3139.1","0.5","100","2","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 Co O P S Si -","- C35 H36 Co O P S Si -","- C140 H144 Co4 O4 P4 S4 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050160g","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100074","10.8864","0.0005","29.532","0.002","47.439","0.002","90","","90","","90","","15251.5","1.4","293","2","","","","","","","","","","6","I 2 m m","I -2 2","44","","","","- C1.65 H10 N0.82 O5.24 Se U0.59 -","- C2.11706 O5.35082 Se0.999882 U0.588294 -","- C143.96 O363.856 Se67.992 U40.004 -","68","8.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0436289","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100075","7.7697","0.0017","5.6329","0.0013","13.56","0.003","90","","100.345","0.004","90","","583.8","0.2","100","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Br N O2 -","- C12 H14 Br N O2 -","- C24 H28 Br2 N2 O4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0444637","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100076","13.628","0.002","25.586","0.004","18.371","0.003","90","","90.579","0.003","90","","6405.4","1.6","203","2","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C61 H58 B Cr F24 N2 O Si -","- C61 H58 B Cr F24 N2 O Si -","- C244 H232 B4 Cr4 F96 N8 O4 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043877x","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100077","6.6386","0.0003","18.4782","0.0011","19.224","0.001","90","","97.679","0.004","90","","2337","0.2","110","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H8 Cr2 Fe N2 O10 -","- C22 H8 Cr2 Fe N2 O10 -","- C88 H32 Cr8 Fe4 N8 O40 -","4","1","","Siemeling, Ulrich; Rother, Dag; Fink, Heinrich","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0436244","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100078","6.48","0.0013","9.274","0.0019","23.403","0.005","90","","94.18","0.03","90","","1402.7","0.5","130","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Au2 Cl2 Fe N2 -","- C12 H8 Au2 Cl2 Fe N2 -","- C48 H32 Au8 Cl8 Fe4 N8 -","4","1","","Siemeling, Ulrich; Rother, Dag; Bruhn, Clemens","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0436244","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100079","8.6329","0.0012","9.156","0.0013","12.5796","0.0018","99.119","0.002","100.021","0.003","90.017","0.002","966.4","0.2","150","2","","","","","","","","","","5","P -1","-P 1","2","","5-fluorouracil","","- C4 H3 F N2 O2 -","- C4 H3 F N2 O2 -","- C32 H24 F8 N16 O16 -","8","4","","Hulme, Ashley T.; Tocher, Derek A.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044336a","","","","","","","","","","","","","","","","","","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4100080","5.154","0.0016","15.001","0.005","6.654","0.002","90","","110.336","0.005","90","","482.4","0.3","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-fluorouracil","","- C4 H3 F N2 O2 -","- C4 H3 F N2 O2 -","- C16 H12 F4 N8 O8 -","4","1","","Hulme, Ashley T.; Tocher, Derek A.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044336a","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100081","5.0433","0.0012","14.935","0.003","6.6049","0.0015","90","","108.884","0.004","90","","470.72","0.19","150","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-fluorouracil form II","","- C4 H3 F N2 O2 -","- C4 H3 F N2 O2 -","- C16 H12 F4 N8 O8 -","4","1","","Hulme, Ashley T.; Tocher, Derek A.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044336a","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100082","8.693","0.002","11.595","0.003","22.719","0.006","103.694","0.006","95.94","0.006","90.653","0.005","2211.4","1","293.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C32 H62 Li N2 O2 Pr S2 Si4 -","- C32 H54 Li N2 O2 Pr S2 Si4 -","- C64 H108 Li2 N4 O4 Pr2 S4 Si8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043415j","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100083","18.305","0.002","24.227","0.002","24.326","0.003","90","","98.52","0.003","90","","10669.3","1.9","193.1","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C78 H118 Cl Li N4 Nd4 S8 Si8 -","- C78 H112 Cl Li N4 Nd4 S8 Si8 -","- C312 H448 Cl4 Li4 N16 Nd16 S32 Si32 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043415j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100084","13.7062","0.0011","17.0964","0.0013","19.882","0.002","75.817","0.004","83.698","0.005","77.496","0.004","4401.8","0.6","193.1","","","","","","","","","","","9","P -1","-P 1","2","","","","- C52 H100 Cl5 Li N4 O S4 Si8 Sm4 -","- C52 H100 Cl5 Li N4 O S4 Si8 Sm4 -","- C104 H200 Cl10 Li2 N8 O2 S8 Si16 Sm8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043415j","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100085","12.201","0.003","13.088","0.003","15.082","0.003","101.45","0.003","106.858","0.002","114.631","0.002","1948.8","0.8","193.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H120 Cl4 Li2 N4 O6 Pr2 Si8 -","- C48 H120 Cl4 Li2 N4 O6 Pr2 Si8 -","- C48 H120 Cl4 Li2 N4 O6 Pr2 Si8 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043415j","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100086","13.1658","0.0005","19.81","0.0007","13.5111","0.0005","90","","94.19","0.002","90","","3514.5","0.2","193.1","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H104 Cl4 Li2 N4 O4 Si8 Sm2 -","- C40 H104 Cl4 Li2 N4 O4 Si8 Sm2 -","- C80 H208 Cl8 Li4 N8 O8 Si16 Sm4 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043415j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100087","29.486","0.004","29.833","0.004","37.579","0.005","90","","90","","90","","33057","7","153","2","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H124 Cl Co N13 O31 P -","- C64 H90 Cl Co N13 O31 P -","- C1024 H1440 Cl16 Co16 N208 O496 P16 -","16","4","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja048573p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100088","15.806","0.003","22.471","0.005","25.338","0.005","90","","90","","90","","8999","3","163","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H127 Co N13 O32 P -","- C64 H107 Co N13 O31.9995 P -","- C256 H428 Co4 N52 O127.998 P4 -","4","1","","","Properties and Reactivity of Chlorovinylcobalamin and Vinylcobalamin and Their Implications for Vitamin B~12~-Catalyzed Reductive Dechlorination of Chlorinated Alkenes","Journal of the American Chemical Society","2005","","","","","10.1021/ja048573p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100089","13.788","0.006","10.664","0.005","7.894","0.004","90","","91.77","0.05","90","","1160.1","0.9","180","0.2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 O6 -","- C9 H18 O6 -","- C36 H72 O24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0464903","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100090","10.838","0.005","31.965","0.015","11.817","0.006","90","","112.987","0.006","90","","3769","3","193","2","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H36 N14 O13 Pt S -","- C25 H24.5 N14 O13 Pt S -","- C100 H98 N56 O52 Pt4 S4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0451620","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100091","10.3067","0.0008","13.3068","0.001","15.1285","0.0011","78.244","0.001","82.033","0.001","70.672","0.001","1911.2","0.2","213","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H44 N14 O14 Pt S -","- C28 H38.5 N13 O13 Pt S -","- C56 H77 N26 O26 Pt2 S2 -","2","1","","Barry, Colin G.; Day, Cynthia S.; Bierbach, Ulrich","Duplex Promoted Platination of Adenine-N3 in the Minor Groove of DNA. Challenging a Longstanding Bioinorganic Paradigm","Journal of the American Chemical Society","2005","","","","","10.1021/ja0451620","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100092","16.812","0.003","20.01","0.003","21.378","0.004","94.557","0.003","97.004","0.005","109.382","0.003","6677.7","1.9","90","2","","","","","","","","","","4","P -1","-P 1","2","Nickeltetra(n-pentyl)porphyrin","","","- C40 H52 N4 Ni -","- C40 H52 N4 Ni -","- C320 H416 N32 Ni8 -","8","4","","Song, Yujiang; Haddad, Raid E.; Jia, Song-Ling; Hok, Saphon; Olmstead, Marilyn M.; Nurco, Daniel J.; Schore, Neal E.; Zhang, Jun; Ma, Jian-Guo; Smith, Kevin M.; Gazeau, Stéphanie; Pécaut, Jacques; Marchon, Jean-Claude; Medforth, Craig J.; Shelnutt, John A.","Energetics and Structural Consequences of Axial Ligand Coordination in Nonplanar Nickel Porphyrins","Journal of the American Chemical Society","2005","127","4","1179","1192","10.1021/ja045309n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100093","8.4141","0.0019","13.293","0.003","15.281","0.003","82.965","0.006","81.68","0.006","88.189","0.006","1678.3","0.6","90","2","","","","","","","","","","4","P -1","-P 1","2","Ni(tetra-n-pentyl)porphyrin Polymorph II","","","- C40 H52 N4 Ni -","- C40 H52 N4 Ni -","- C80 H104 N8 Ni2 -","2","1","","Song, Yujiang; Haddad, Raid E.; Jia, Song-Ling; Hok, Saphon; Olmstead, Marilyn M.; Nurco, Daniel J.; Schore, Neal E.; Zhang, Jun; Ma, Jian-Guo; Smith, Kevin M.; Gazeau, Stéphanie; Pécaut, Jacques; Marchon, Jean-Claude; Medforth, Craig J.; Shelnutt, John A.","Energetics and Structural Consequences of Axial Ligand Coordination in Nonplanar Nickel Porphyrins","Journal of the American Chemical Society","2005","127","4","1179","1192","10.1021/ja045309n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100094","14.931","0.002","9.77","0.0015","14.931","0.002","90","","90.94","","90","","2177.8","0.6","273","2","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C112 H128 O24 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044542i","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100095","7.0339","0.0008","9.7592","0.0011","16.0454","0.0019","90","","90","","90","","1101.4","0.2","446","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C56 H64 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044542i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100096","8.1004","0.0008","10.1648","0.0011","13.3393","0.0014","90","","98.399","0.002","90","","1086.6","0.2","193","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044542i","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100097","12.7483","0.0014","8.5538","0.0009","11.2196","0.0012","90","","96.766","0.002","90","","1214.9","0.2","193","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044542i","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100098","6.5607","0.0007","12.2817","0.0013","25.088","0.003","88.583","0.002","87.417","0.002","82.263","0.002","2000.7","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N2 O9 -","- C21 H22 N2 O9 -","- C84 H88 N8 O36 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044542i","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100099","8.3728","0.0013","10.2615","0.0016","18.297","0.003","90","","90","","90","","1572","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044999s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100100","14.856","0.003","9.209","0.003","12.593","0.003","90","","110.039","0.006","90","","1618.5","0.7","193","2","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044999s","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100101","7.8777","0.0015","7.7795","0.0014","13.672","0.003","90","","102.036","0.004","90","","819.5","0.3","213","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H26 Cl N O -","- C15 H26 Cl N O -","- C30 H52 Cl2 N2 O2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044999s","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100102","13.5209","0.0006","15.1921","0.0007","15.0232","0.0006","90","","108.483","0.003","90","","2926.7","0.2","120","2","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H70 Cl8 Fe2 P2 Pd2 -","- C58 H70 Cl8 Fe2 P2 Pd2 -","- C116 H140 Cl16 Fe4 P4 Pd4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042930e","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100103","27.8066","0.0006","14.6508","0.0003","44.3633","0.0009","90","","91.67","0.002","90","","18065.4","0.7","193","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C184 H150 Cl10 N44 O46 -","- C184 H142 Cl10 N44 O46 -","- C736 H568 Cl40 N176 O184 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0424631","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100104","31.075","0.006","7.395","0.0015","5.866","0.0012","90","","93.97","0.03","90","","1344.8","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 S -","- C17 H19 S -","- C68 H76 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043189d","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100105","34.243","0.007","7.5118","0.0015","6.0908","0.0012","90","","90","","90","","1566.7","0.5","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C22 H14 S2 -","- C23.08 H14 S1.87 -","- C92.32 H56 S7.48 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043189d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100106","15.141","0.002","16.7","0.004","6.269","0.001","90","","90","","90","","1585.2","0.5","296.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl N2 O2 -","- C17 H17 Cl N2 O2 -","- C68 H68 Cl4 N8 O8 -","4","1","","Hideko Koshima","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044472f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100107","11.2352","0.0008","11.5362","0.0008","13.4393","0.0009","65.127","0.001","71.281","0.002","79.797","0.002","1494.92","0.18","153","2","","","","","","","","","","3","P -1","-P 1","2","","","","- C70 H90 N4 -","- C70 H90 N4 -","- C70 H90 N4 -","1","0.5","","Jeremiah A Marsden; MIke M. Haley; Fusen Han","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044175a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100108","13.001","0.002","13.594","0.002","14.847","0.003","112.913","0.004","90.637","0.004","103.57","0.003","2334.1","0.7","153","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H54 N4 O4 -","- C54 H54 N4 O4 -","- C108 H108 N8 O8 -","2","1","","Jeremiah A Marsden; MIke M. Haley; Fusen Han","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044175a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100109","11.4645","0.001","17.7575","0.0015","13.7191","0.0011","90","","92.69","0.001","90","","2789.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 N3 Rh -","- C33 H36 N3 Rh -","- C132 H144 N12 Rh4 -","4","1","","Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050154k","","","","","","","","","","","","","","","","","","","","","has coordinates","201210","2020-10-21","18:00:00",""
"4100110","13.552","0.0011","16.2471","0.0013","16.6517","0.0014","77.66","0.001","68.107","0.001","71.664","0.001","3209.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H75 Ag2 B2 F8 N7 Rh2 -","- C68 H75 Ag2 B F4 N7 Rh2 -","- C136 H150 Ag4 B2 F8 N14 Rh4 -","2","1","","Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050154k","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100111","21.9776","0.0019","10.6829","0.0009","21.8444","0.0019","90","","113.597","0.001","90","","4699.9","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H39 Ag3 F9 N4 O9 Rh S3 -","- C38 H39 Ag3 F9 N4 O9 Rh S3 -","- C152 H156 Ag12 F36 N16 O36 Rh4 S12 -","4","1","","Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050154k","","","","","","","","","","","","","","","","","","","","","has coordinates","201210","2020-10-21","18:00:00",""
"4100112","6.6718","0.0014","12.839","0.003","26.802","0.006","90","","90","","90","","2295.8","0.9","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 N O3 -","- C22 H35 N O3 -","- C88 H140 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051002s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100113","9.639","0.0009","23.908","0.002","38.807","0.004","90","","90","","90","","8943.3","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C80 H104 F6 N10 O15 -","- C80 H104 F6 N10 O15 -","- C320 H416 F24 N40 O60 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051002s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100114","6.4102","0.0003","7.5058","0.0004","17.987","0.0004","83.523","0.004","86.529","0.003","85.458","0.004","856.03","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","2 EDT-TTF(methyloxazoline) AsF6","","","- C24 H22 As F6 N2 O2 S12 -","- C24 H22 As F6 N2 O2 S12 -","- C24 H22 As F6 N2 O2 S12 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0503884","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100115","6.3918","0.0007","7.502","0.0009","17.941","0.002","83.197","0.014","86.638","0.014","85.548","0.014","850.6","0.17","293","2","293","2","","","","","","","","7","P 1","P 1","1","2 EDT-TTF-methyloxazoline(R)/1 AsF6","","","- C24 H22 As F6 N2 O2 S12 -","- C24 H22 As F6 N2 O2 S12 -","- C24 H22 As F6 N2 O2 S12 -","1","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0503884","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100116","6.3962","0.0007","7.4884","0.0009","17.94","0.002","83.13","0.014","86.579","0.014","85.52","0.014","849.41","0.17","293","2","293","2","","","","","","","","7","P 1","P 1","1","2 EDT-TTF-methyloxazoline(S)/1 AsF6","","","- C24 H22 As F6 N2 O2 S12 -","- C24 H22 As F6 N2 O2 S12 -","- C24 H22 As F6 N2 O2 S12 -","1","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0503884","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100117","9.4151","0.0019","17.713","0.004","10.369","0.002","90","","92.19","0.03","90","","1727.9","0.6","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H37 F3 O3 P2 Ru S -","- C38 H37 F3 O3 P2 Ru S -","- C76 H74 F6 O6 P4 Ru2 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0506410","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100118","10.976","0.002","11.496","0.002","16.223","0.003","96.64","0.03","102.89","0.03","97.58","0.03","1955.7","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H46 F3 N O4 P2 Ru S -","- C41.5 H46 F1.5 N O5.89 P2 Ru S1.13 -","- C83 H92 F3 N2 O11.78 P4 Ru2 S2.26 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0506410","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100119","14.263","0.0018","15.89","0.0016","16.205","0.0015","93.177","0.005","94.693","0.006","95.974","0.006","3632.9","0.7","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H120 Co K O9 Si8 -","- C54 H120 Co K O9 Si8 -","- C108 H240 Co2 K2 O18 Si16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050938y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100120","12.974","0.0007","16.173","0.0009","20.167","0.0007","91.686","0.003","103.374","0.003","100.456","0.002","4037.2","0.3","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C64 H136 Co K N2 O10 Si8 -","- C64 H136 Co K N2 O10 Si8 -","- C128 H272 Co2 K2 N4 O20 Si16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050938y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100121","13.6055","0.0011","18.4233","0.0015","21.069","0.0017","75.016","0.001","83.936","0.001","89.959","0.001","5071.1","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H82 B F4 N2 O1.5 P2 Ru -","- C51 H82 B F4 N2 O1.5 P2 Ru -","- C204 H328 B4 F16 N8 O6 P8 Ru4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042318n","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100122","16.6552","0.0003","10.3703","0.0001","11.7614","0.0002","90","","90","","90","","2031.42","0.05","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H13 O5 P W -","- C21 H13 O5 P W -","- C84 H52 O20 P4 W4 -","4","0.5","","Borst, Mark L. G.; Bulo, R. E.; Winkel, Christiaan W.; Gibney, Daniele J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","Phosphepines: Convenient Access to Phosphinidene Complexes","Journal of the American Chemical Society","2005","","","","","10.1021/ja050817y","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100123","8.8819","0.0001","10.268","0.0001","10.9361","0.0001","90","","108.66","0.0004","90","","944.939","0.017","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C23 H18 Mn O2 P -","- C23 H18 Mn O2 P -","- C46 H36 Mn2 O4 P2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050817y","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100124","14.459","0.0009","11.522","0.001","19.651","0.002","90","0","109.542","0.005","90","0","3085.2","0.4","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","?","- C35 H31 Cl O4 S2 -","- C140 H124 Cl4 O16 S8 -","4","1","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100125","11.89","0.0006","14.086","0.0004","17.87","0.0009","90","0","90","0","90","0","2992.9","0.2","200","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","?","- C67 H56 Cl F4 O12 -","- C268 H224 Cl4 F16 O48 -","4","0.5","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100126","11.514","0.0002","15.328","0.0005","18.531","0.0006","78.168","0.001","78.935","0.002","79.867","0.002","3109.6","0.2","200","","","","","","","","","","","5","P -1","-P 1","2","","","","?","- C35.125 H29 Cl1.5 O6 S -","- C140.5 H116 Cl6 O24 S4 -","4","2","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100127","11.335","0.002","11.064","0.002","13.066","0.001","101.128","0.009","102.83","0.01","102.734","0.005","1507.1","0.4","200","","","","","","","","","","","4","P -1","-P 1","2","","","","?","- C35 H29 Cl O7 -","- C70 H58 Cl2 O14 -","2","1","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100128","15.062","0.0008","20.078","0.001","11.413","0.0004","90","","114.277","0.003","90","","3146.2","0.3","273.2","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 Cl O8 -","- C67 H60 Cl O16 -","- C268 H240 Cl4 O64 -","4","0.5","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100129","12.73","0.0005","14.609","0.0006","17.689","0.0007","90","","90","","90","","3289.7","0.2","273.2","","298","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 F8 O4 P -","- C67 F16 O8 P -","- C268 F64 O32 P4 -","4","0.5","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100130","13.507","0.0004","17.866","0.001","14.609","0.0009","90","","91.321","0.003","90","","3524.4","0.3","273.2","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H35 F6 O6 P -","- C37 H35 F6 O6 P -","- C148 H140 F24 O24 P4 -","4","1","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100131","18.461","0.0005","13.905","0.0003","12.337","0.0003","90","","90","","90","","3166.9","0.1","273.2","","298","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C35 H29 Cl3 O6 -","- C35 H29 Cl3 O6 -","- C140 H116 Cl12 O24 -","4","1","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100132","12.845","0.008","17.134","0.01","23.896","0.016","90","","92.11","0.05","90","","5256","6","225","2","225","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C100 H131 B N24 O8 S8 -","- C36 H32 B N20 -","- C72 H64 B2 N40 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042233m","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100133","13.045","0.006","17.151","0.008","24.023","0.008","90","","92.21","0.03","90","","5371","4","205","2","205","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C110 H124 B N20 O4 P S4 -","- C36 H32 B N20 -","- C72 H64 B2 N40 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042233m","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100134","12.601","0.0013","18.1778","0.0017","23.825","0.002","90","","97.436","0.005","90","","5411.4","0.9","220","2","220","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C55 H55 B N22 O -","- C36 H32 B N20 -","- C72 H64 B2 N40 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042233m","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100135","6.4971","0.0018","9.484","0.003","12.703","0.004","81.847","0.004","85.104","0.004","70.768","0.004","731","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Cl2 N2 Pd Si2 -","- C26 H32 Cl2 N2 Pd Si2 -","- C26 H32 Cl2 N2 Pd Si2 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050713n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100136","14.8055","0.0004","11.5568","0.0003","11.4021","0.0003","90","","91.565","0.002","90","","1950.22","0.09","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H27 Br Cl3 Mo P3 -","- C9 H27 Br Cl3 Mo P3 -","- C36 H108 Br4 Cl12 Mo4 P12 -","4","1","","Francois Stoffelbach; Sébastien Maria; Rinaldo Poli; Philippe Richard; Jean-Claude Daran","Atom transfer radical polymerization catalysis with MoX3(PMe3)3 complexes (X = Cl, Br, I). On the nature and stability of the radical trapping species.","Journal of the American Chemical Society","2005","","","","","10.1021/ja043078e","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100137","11.53","0.002","14.853","0.002","12.033","0.002","90","","90","","90","","2060.7","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4.5 H13.5 Br2 Mo0.5 P1.5 -","- C4.5 H13.5 Br2 Mo0.5 P1.5 -","- C36 H108 Br16 Mo4 P12 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043078e","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100138","9.1302","0.0009","15.0703","0.0013","18.1518","0.0016","90","","90","","90","","2497.6","0.4","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H27 I5 Mo P3 -","- C9 H27 I5 Mo P3 -","- C36 H108 I20 Mo4 P12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043078e","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100139","9.2861","0.0008","18.0913","0.0015","14.6712","0.001","90","","90","","90","","2464.7","0.3","180","2","180","2","","","","","","","","6","P b c 21","P 2c -2b","29","","","","- C10 H29 Cl2 I3 Mo P3 -","- C10 H29 Cl2 I3 Mo P3 -","- C40 H116 Cl8 I12 Mo4 P12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043078e","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100140","6.9562","0.0004","7.0192","0.0004","7.6303","0.0004","64.148","0.003","63.131","0.003","81.167","0.004","298.64","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cl2 F2 N2 Pt -","- C10 H8 Cl2 F2 N2 Pt -","- C10 H8 Cl2 F2 N2 Pt -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100141","5.5441","0.0007","7.1432","0.0009","8.6648","0.0011","71.147","0.002","79.634","0.002","85.992","0.002","319.41","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl4 N2 Pt -","- C10 H8 Cl4 N2 Pt -","- C10 H8 Cl4 N2 Pt -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100142","3.9786","0.0011","12.337","0.003","13.624","0.004","89.538","0.004","83.513","0.004","82.951","0.005","659.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br2 Cl2 N2 Pt -","- C10 H8 Br2 Cl2 N2 Pt -","- C20 H16 Br4 Cl4 N4 Pt2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100143","3.9673","0.0007","8.3332","0.0015","10.1785","0.0017","89.126","0.003","82.341","0.003","78.44","0.003","326.71","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br2 Cl2 N2 Pt -","- C10 H8 Br2 Cl2 N2 Pt -","- C10 H8 Br2 Cl2 N2 Pt -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100144","25.414","0.005","4.2034","0.0009","16.357","0.003","90","","126.464","0.003","90","","1405.3","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Cl2 I2 N2 Pt -","- C10 H8 Cl2 I2 N2 Pt -","- C40 H32 Cl8 I8 N8 Pt4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100145","3.8484","0.0016","11.719","0.005","15.637","0.007","90","","96.578","0.007","90","","700.6","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl2 F2 N2 O Pd -","- C11 H8 Cl2 F2 N2 O Pd -","- C22 H16 Cl4 F4 N4 O2 Pd2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100146","3.911","0.003","13.721","0.012","12.029","0.01","90","","94.979","0.017","90","","643.1","1.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl4 N2 Pd -","- C10 H8 Cl4 N2 Pd -","- C20 H16 Cl8 N4 Pd2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100147","3.9496","0.0007","13.924","0.002","12.034","0.002","90","","93.529","0.003","90","","660.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Br2 Cl2 N2 Pd -","- C10 H8 Br2 Cl2 N2 Pd -","- C20 H16 Br4 Cl4 N4 Pd2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100148","4.1501","0.0006","8.4147","0.0011","10.187","0.0013","90.787","0.002","96.369","0.002","101.532","0.002","346.18","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cl2 I2 N2 Pd -","- C10 H8 Cl2 I2 N2 Pd -","- C10 H8 Cl2 I2 N2 Pd -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100149","28.4817","0.0006","13.1962","0.0003","18.012","0.0002","90","","90.642","0.001","90","","6769.4","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H106 Mg2 N6 O2 -","- C74 H106 Mg2 N6 O2 -","- C296 H424 Mg8 N24 O8 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042657g","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100150","12.1589","0.0009","14.8318","0.0009","16.6799","0.0013","87.773","0.007","71.894","0.006","67.208","0.006","2624.4","0.3","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H37 N3 Zn -","- C29 H37 N3 Zn -","- C116 H148 N12 Zn4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042657g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100151","19.9588","0.0008","15.0135","0.0006","18.2663","0.0006","90","","104.037","0.002","90","","5310.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 Mg N3 -","- C29 H37 Mg N3 -","- C232 H296 Mg8 N24 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042657g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100152","10.2515","0.0002","13.4228","0.0002","20.9001","0.0003","90","","98.53","0.001","90","","2844.12","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 Mg N3 -","- C31 H41 Mg N3 -","- C124 H164 Mg4 N12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042657g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100153","13.247","0.0002","17.1969","0.0004","15.0233","0.0003","90","","114.499","0.001","90","","3114.29","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H49 Mg N3 -","- C35 H49 Mg N3 -","- C140 H196 Mg4 N12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042657g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100154","22.0188","0.0011","10.7399","0.0004","17.5903","0.0009","90","","102.75","0.01","90","","4057.2","0.3","100","2","100","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C31 H53 B F12 Mn2 N6 O4 P2 -","- C31 H53 B F12 Mn2 N6 O4 P2 -","- C124 H212 B4 F48 Mn8 N24 O16 P8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042655w","","","","","","","0.0526","","","0.109","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100155","11.311","0.002","12.638","0.002","16.855","0.003","101.11","0.02","108.28","0.02","103.46","0.02","2130.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H58 B Cl2 Mn2 N8 O15 -","- C31 H56 B Cl2 Mn2 N8 O15 -","- C62 H112 B2 Cl4 Mn4 N16 O30 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042655w","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100156","17.0472","0.0006","12.1525","0.0004","18.6112","0.0006","90","","90","","90","","3855.6","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H57 Cl2 Mn2 N7 O13 -","- C28 H57 Cl2 Mn2 N7 O13 -","- C112 H228 Cl8 Mn8 N28 O52 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042655w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100157","12.6006","0.0004","13.6769","0.0006","23.4457","0.0008","73.87","0.01","84.33","0.01","65.24","0.01","3524","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H98 B2 Mn2 N8 O5 -","- C77 H98 B2 Mn2 N8 O5 -","- C154 H196 B4 Mn4 N16 O10 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042655w","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100158","15.787","0.0019","15.787","0.0019","51.509","0.013","90","","90","","120","","11118","3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C27 H33 In N4 O8 -","- C25.1673 H6 In N3.636 O8 -","- C453.012 H108 In18 N65.448 O144 -","18","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051259q","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100159","14.4111","0.0013","16.0466","0.0014","16.7388","0.0015","114.216","0.002","95.441","0.002","91.595","0.002","3504.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C121 H139 In6 N21 O60 -","- C117.24 H128.92 In6 N20.4 O58.42 -","- C117.24 H128.92 In6 N20.4 O58.42 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051259q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100160","17.1741","0.0005","17.1741","0.0005","28.797","0.001","90","","90","","90","","8493.8","0.5","173.2","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H30 O2 Si W -","- C20 H30 O2 Si W -","- C320 H480 O32 Si16 W16 -","16","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050441o","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100161","9.664","0.003","18.513","0.005","15.988","0.004","90","","93.601","0.001","90","","2854.8","1.4","173.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 O2 Si W -","- C31 H36 O2 Si W -","- C124 H144 O8 Si4 W4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050441o","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100162","13.37","0.003","10.309","0.002","21.3","0.004","90","","90.762","0.001","90","","2935.6","1","173.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 O3 Si W -","- C33 H40 O3 Si W -","- C132 H160 O12 Si4 W4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050441o","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100163","8.396","0.007","14.281","0.011","16.138","0.013","68.477","0.007","84.072","0.007","86.267","0.007","1790","2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H44 Cl2 Cu F6 N6 O3 P -","- C31 H44 Cl2 Cu F6 N6 O3 P -","- C62 H88 Cl4 Cu2 F12 N12 O6 P2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044093m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100164","15.31","0.005","19.927","0.006","28.867","0.009","90","0.0017","94.6626","0.0018","90","0.0017","8778","5","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C107 H110 N4 Pd -","- C107.02 H110 N4 Pd -","- C428.08 H440 N16 Pd4 -","4","1","","Yamashita, Makoto; Goto, Kei; Kawashima, Takayuki","Fixation of Both O2 and CO2 from Air by a Crystalline Palladium Complex Bearing N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2005","127","20","7294","7295","10.1021/ja051054h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219002","2020-10-21","18:00:00",""
"4100165","32.121","0.015","13.23","0.005","25.781","0.012","90","0.0011","125.41","0.0017","90","0.0011","8929","7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H102 Cl2 N4 O4 Pd -","- C99 H92 Cl8 N4 O4 Pd -","- C396 H368 Cl32 N16 O16 Pd4 -","4","0.5","","Yamashita, Makoto; Goto, Kei; Kawashima, Takayuki","Fixation of Both O2 and CO2 from Air by a Crystalline Palladium Complex Bearing N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2005","127","20","7294","7295","10.1021/ja051054h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219002","2020-10-21","18:00:00",""
"4100166","34.854","0.004","17.0305","0.0011","30.778","0.003","90","0.0009","114.649","0.0011","90","0.0009","16605","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H102 N4 O3 Pd -","- C100 H102 N4 O3 Pd -","- C800 H816 N32 O24 Pd8 -","8","1","","Yamashita, Makoto; Goto, Kei; Kawashima, Takayuki","Fixation of Both O2 and CO2 from Air by a Crystalline Palladium Complex Bearing N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2005","127","20","7294","7295","10.1021/ja051054h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219002","2020-10-21","18:00:00",""
"4100167","10.6977","0.001","17.3256","0.0017","16.045","0.002","90","","95.821","0.004","90","","2958.5","0.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31 H45 Cl N Rh Si -","- C31 H45 Cl N Rh Si -","- C124 H180 Cl4 N4 Rh4 Si4 -","4","1","","Yves. Canac, Salvador. Conejero; Bruno Donnadieu, Guy. Bertrand; Wolfang. W. Schoeller","Persistent (Amino)(Silyl)Carbenes","Journal of the American Chemical Society","2005","","","","","10.1021/ja051109f","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100168","16.92","0.014","19.249","0.015","17.148","0.013","90","","108.045","0.015","90","","5310","7","253","2","253","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H66 Cl2 N2 O4 Rh2 Si2 -","- C50 H66 Cl2 N2 O4 Rh2 Si2 -","- C200 H264 Cl8 N8 O16 Rh8 Si8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051109f","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100169","12.57","0.003","17.252","0.004","25.295","0.006","90","","90","","90","","5486","2","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 Cl N2 O2 Ru S -","- C30 H31 Cl N2 O2 Ru S -","- C240 H248 Cl8 N16 O16 Ru8 S8 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051486s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100170","8.812","0.001","37.845","0.002","12.032","0.001","90","","97.06","0.01","90","","3982","1","100","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H62 Al N2 O2 Yb -","- C44 H62 Al N2 O2 Yb -","- C176 H248 Al4 N8 O8 Yb4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100171","8.85","0.001","37.991","0.005","12.072","0.003","90","","97.07","0.03","90","","4028","1","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H62 Al Er N2 O2 -","- C44 H62 Al Er N2 O2 -","- C176 H248 Al4 Er4 N8 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100172","8.854","0.001","37.975","0.002","12.106","0.001","90","","97.17","0.01","90","","4039","1","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H62 Al Dy N2 O2 -","- C44 H62 Al Dy N2 O2 -","- C176 H248 Al4 Dy4 N8 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100173","9.13","0.002","12.498","0.003","42.211","0.008","90","","93.36","0.03","90","","4808","2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H70 Al N2 O Yb -","- C54 H70 Al N2 O Yb -","- C216 H280 Al4 N8 O4 Yb4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100174","10.188","0.002","19.669","0.004","10.536","0.002","90","","109.43","0.03","90","","1991","1","133","2","133","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H60 Al Dy N2 O -","- C45 H60 Al Dy N2 O -","- C90 H120 Al2 Dy2 N4 O2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100175","10.214","0.001","19.606","0.001","10.556","0.001","90","","109.37","0.01","90","","1994","1","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H60 Al N2 O Sm -","- C45 H60 Al N2 O Sm -","- C90 H120 Al2 N4 O2 Sm2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100176","8.288","0.002","16.18","0.006","10.394","0.002","90","","98.53","0.02","90","","1378","1","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 O2 Sn2 Yb2 -","- C26 H38 O2 Sn2 Yb2 -","- C52 H76 O4 Sn4 Yb4 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100177","16.326","0.002","9.565","0.001","23.801","0.004","90","","94.17","0.01","90","","3707","1","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H58 N2 Yb -","- C42 H58 N2 Yb -","- C168 H232 N8 Yb4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100178","17.12","0.003","18.184","0.004","12.887","0.003","90","","104.48","0.03","90","","3884","1","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H59 Cl N3 Si2 Yb -","- C35 H59 Cl N3 Si2 Yb -","- C140 H236 Cl4 N12 Si8 Yb4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100179","11.0401","0.001","15.2369","0.0019","25","0.002","90","","90","","90","","4205.5","0.8","150","2","150","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C40 H35 B Cl4 F4 Mn N O4 P2 -","- C40 H35 B Cl4 F4 Mn N O4 P2 -","- C160 H140 B4 Cl16 F16 Mn4 N4 O16 P8 -","4","1","","Marta E. G. Mosquera","Crystal structure of compound 7","Journal of the American Chemical Society","2005","","","","","10.1021/ja042879e","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100180","24.315","0.006","13.85","0.004","21.742","0.006","90","","90","","90","","7322","3","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C40 H100 Cl N5 O36 V14 -","- C40 Cl N5 O36 V14 -","- C160 Cl4 N20 O144 V56 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0422209","","","","","","","","","","","","","","","","","","","","","has coordinates","134573","2020-10-21","18:00:00",""
"4100181","9.9186","0.0006","11.3368","0.0006","11.9916","0.0006","89.263","0.002","67.54","0.002","80.873","0.002","1228.66","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 N2 O7 S -","- C23 H28 N2 O7 S -","- C46 H56 N4 O14 S2 -","2","1","","Sammis, Glenn M.; .; Ho, Douglas M.; Sorensen, Erik J.; .","N'-(6-Acetyl-3-methyl-5-phenylcyclohex-2-enyl)-N'-methanesulfonyl- hydrazinedicarboxylic Acid Diallyl Ester","Journal of the American Chemical Society","2005","","","","","10.1021/ja052383c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100182","10.358","0.001","10.358","0.001","10.358","0.001","90","0.009","90","0.009","90","0.009","1111.3","0.3","293","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Ga4 Se32 Ta16 -","- Ga4 Se32 Ta16 -","- Ga4 Se32 Ta16 -","1","0.0104167","","Pocha, R.; Johrendt, D.; Ni, B.; Abd.Elmeguid, M.M.","Crystal Structures, Electronic Properties and Presure Induced Superconductivity of the Tetrahedral Cluster Compounds GaNb4S8, GaNb4Se8 and GaTa4Se8","Journal of the American Chemical Society","2005","","","","","10.1021/ja050243x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100183","9.985","0.002","9.985","0.002","9.985","0.002","90","0.009","90","0.009","90","0.009","995.5","0.6","293","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Ga4 Nb16 S32 -","- Ga4 Nb16 S32 -","- Ga4 Nb16 S32 -","1","0.0104167","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050243x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100184","12.6109","0.0005","13.6479","0.0004","20.6566","0.0008","102.68","0.003","100.168","0.003","107.999","0.002","3182.3","0.2","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C75 H50 Cl4 O4 Ru2 -","- C75 H50 Cl4 O4 Ru2 -","- C150 H100 Cl8 O8 Ru4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051576x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100185","7.9216","0.0004","10.1467","0.0004","19.4333","0.0008","100.89","0.003","90.896","0.004","97.498","0.003","1519.46","0.12","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H25 I O2 Ru -","- C37 H25 I O2 Ru -","- C74 H50 I2 O4 Ru2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051576x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100186","13.8174","0.0016","20.133","0.005","20.818","0.002","90","","90","","90","","5791.3","1.7","293","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H26 O2 Ru -","- C37 H26 O2 Ru -","- C296 H208 O16 Ru8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051576x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100187","7.4716","0.0008","8.133","0.001","20.356","0.002","97.94","0.01","93.89","0.01","104.08","0.01","1181.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N2 S4 -","- C22 H26 N2 S4 -","- C44 H52 N4 S8 -","2","1","","Javier Garin","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051819l","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100188","8.2219","0.0008","9.2783","0.0009","15.7089","0.0015","99.007","0.002","91.117","0.002","97.868","0.002","1171.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 Br O6 -","- C27 H24 Br O6 -","- C54 H48 Br2 O12 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0509984","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100189","7.7032","0.0011","10.0741","0.0014","20.765","0.003","88.043","0.003","81.558","0.003","69.923","0.002","1496.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H35 Br O6 -","- C33 H35 Br O6 -","- C66 H70 Br2 O12 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0509984","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100190","16.926","0.004","16.926","0.004","38.794","0.016","90","","90","","90","","11114","6","220","2","220","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C102 H120 O44 Si3 -","- C102 H120 O44 Si3 -","- C408 H480 O176 Si12 -","4","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052587t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100191","16.994","0.007","16.994","0.007","37.344","0.006","90","","90","","90","","10785","7","220","2","220","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C34 H36 O12 Si -","- C24 H20 O8 Si -","- C288 H240 O96 Si12 -","12","0.75","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052587t","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100192","17.3347","0.0008","17.3347","0.0008","36.855","0.003","90","","90","","90","","11074.8","1.1","220","2","220","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C24 H20 O8 Si -","- C24 H20 O8 Si -","- C480 H400 O160 Si20 -","20","1.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052587t","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100193","17.106","0.005","17.106","0.005","38.635","0.005","90","","90","","90","","11305","5","220","2","220","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C112 H140 O34 Si3 -","- C112 H140 O34 Si3 -","- C448 H560 O136 Si12 -","4","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052587t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100194","17.05","0.005","17.05","0.005","37.082","0.009","90","","90","","90","","10780","5","220","2","220","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C34.66667 H41.33333 O13.33333 Si -","- C24 H20 O8 Si -","- C288 H240 O96 Si12 -","12","0.75","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052587t","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100195","10.411","0.0006","16.5299","0.001","17.004","0.001","68.432","0.002","83.805","0.002","71.927","0.002","2587","0.3","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H53 N8 Ru2 S Si -","- C57 H53 N8 Ru2 S Si -","- C114 H106 N16 Ru4 S2 Si2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052604e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100196","12.3129","0.0003","12.915","0.0003","21.3187","0.0005","90","","100.849","0.001","90","","3329.53","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 D8 N5 O4 Zr -","- C30 H37 D8 N5 O4 Zr -","- C120 H148 D32 N20 O16 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527976","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100197","10.442","0.002","10.423","0.002","18.967","0.004","91.734","0.004","97.363","0.004","91.588","0.004","2045.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N2 O -","- C27 H20 N2 O -","- C108 H80 N8 O4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0508727","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100198","9.7716","0.0015","10.2228","0.0016","12.723","0.002","91.335","0.003","98.148","0.003","91.295","0.003","1257.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H24 N2 O3 -","- C31 H26 N2 O3 -","- C62 H52 N4 O6 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0508727","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100199","11.896","0.003","11.812","0.003","12.988","0.003","90","","90.592","0.004","90","","1824.8","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H46 N6 O2 -","- C42 H46 N6 O2 -","- C84 H92 N12 O4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051075b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100200","31.635","0.003","7.6556","0.0007","22.102","0.002","90","","133.882","0.001","90","","3858.1","0.6","213","2","213","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C40 H52 Br2 N4 Ni -","- C40 H52 Br2 N4 Ni -","- C160 H208 Br8 N16 Ni4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052935r","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100201","5.574","0.003","7.673","0.004","27.77","0.013","90","","90","","90","","1187.7","0.9","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Br N O3 -","- C11 H12 Br N O3 -","- C44 H48 Br4 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052935r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100202","13.234","0.0006","13.33","0.0007","18.384","0.0009","87.916","0.003","76.263","0.003","60.692","0.002","2734.9","0.2","120","0.1","120","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C45 H103 Si7 -","- C45 H103 Si7 -","- C90 H206 Si14 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053202+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100203","39.64","0.0003","13.649","0.001","20.009","0.0017","90","","90","","90","","10825.8","1.2","120","0.1","120","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C95 H151 B F16 Si10 -","- C95 H151 B F16 Si10 -","- C380 H604 B4 F64 Si40 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053202+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100204","30.746","0.002","13.5846","0.0008","14.3291","0.0009","90","","109.851","0.002","90","","5629.3","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H45 Ga6 N4 O42 P9 Zn3 -","- C18.68 Ga6.19 N3 O39.74 P9 Zn2.82 -","- C74.72 Ga24.76 N12 O158.96 P36 Zn11.28 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512879","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100205","30.748","0.006","13.534","0.003","14.31","0.003","90","","109.733","0.005","90","","5605","2","297","2","297","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H45 Ga6 N4 O42 P9 Zn3 -","- C24 Ga5.914 N4 O43.11 P9 Zn3.08 -","- C96 Ga23.656 N16 O172.44 P36 Zn12.32 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512879","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100206","16.0236","0.001","16.0236","0.001","16.0236","0.001","74.445","0.001","74.445","0.001","74.445","0.001","3732","0.4","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C84.5 H111 N3 O3.5 U -","- C84 H111 N4 O3 U -","- C168 H222 N8 O6 U2 -","2","0.333333","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053497r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100207","16.1204","0.0017","16.1204","0.0017","16.1204","0.0017","73.85","0.002","73.85","0.002","73.85","0.002","3772.4","0.7","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C28 H37 N1.5 O U0.33 -","- C28 H37 N1.5 O U0.333333 -","- C168 H222 N9 O6 U2 -","6","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053497r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100208","27.6121","0.0011","27.6121","0.0011","31.7727","0.0018","90","","90","","90","","24224.4","1.9","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C61 H100 N3 O4 U -","- C61 H100 N3 O4 U -","- C976 H1600 N48 O64 U16 -","16","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053497r","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100209","13.7443","0.0002","13.7443","0.0002","60.7777","0.0002","90","","90","","120","","9943.1","0.2","220","2","220","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C38 H43 O8.5 S3 -","- C33 H28 O6 S3 -","- C396 H336 O72 S36 -","12","0.666667","","Song, Qiuling; Ho, Douglas M.; Pascal Jr.; Robert A.","A Sterically Congested in-Methylcyclophane","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100210","8.822","0.003","16.4","0.005","17.952","0.006","90","","100.581","0.008","90","","2553.2","1.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","{Me2NN]Ni(2,4-lutidine)","","","- C28 H34 N3 Ni -","- C28 H34 N3 Ni -","- C112 H136 N12 Ni4 -","4","1","","Kogut, E.; Wiencko, H. L.; Zhang, L; Cordeau, D. E.; Warren, T. H.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0533186","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100211","11.544","0.004","14.664","0.002","16.55","0.004","90","","106.65","0.02","90","","2684","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Me3NN]Ni(2,4-lutidine)","","","- C30 H38 N3 Ni -","- C30 H38 N3 Ni -","- C120 H152 N12 Ni4 -","4","1","","Kogut, E.; Wiencko, H. L.; Zhang, L.; Cordeau, D. E.;Warren, T. H.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0533186","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100212","10.749","0.004","15.625","0.007","33.698","0.015","90","","98.613","0.013","90","","5596","4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","{[Me2NN]Ni}2(m-NAd)","","","- C52 H65 N5 Ni2 -","- C52 H65 N5 Ni2 -","- C208 H260 N20 Ni8 -","4","1","","Kogut, E.; Wiencko, H. L.; Zhang, L; Cordeau, D. E.; Warren, T. H.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0533186","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100213","17.0088","0.0011","9.2319","0.0006","19.0881","0.0012","90","","90","","90","","2997.3","0.3","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","[Me3NN]Ni=NAd","","","- C33 H44 N3 Ni -","- C33 H44 N3 Ni -","- C132 H176 N12 Ni4 -","4","0.5","","Kogut, E.; Wiencko, H. L.; Zhang, L.; Cordeau, D. E.; Warren, Timothy H.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0533186","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100214","10.9909","0.0009","29.777","0.002","11.2275","0.0009","90","","90","","90","","3674.5","0.5","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","[Me3NN]Ni-NAd(h4-C5H5CoCp)","","","- C43 H54 Co N3 Ni -","- C43 H54 Co N3 Ni -","- C172 H216 Co4 N12 Ni4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0533186","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100215","25.992","0.006","25.992","0.006","10.506","0.003","90","","90","","90","","7098","3","273","2","273","2","","","","","","","","4","P -4 21 c","P -4 2n","114","[Me3NN]Ni-NHAd","","","- C33 H45 N3 Ni -","- C33 H45 N3 Ni -","- C264 H360 N24 Ni8 -","8","1","","Kogut, E.; Wiencko, H. L.; Zhang, L.; Cordeau, D. E.; Warren, T. H.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0533186","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100216","6.552","0.0003","38.443","0.0003","8.845","0.0003","90","","95.89","0.02","90","","2216.11","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H55 N O10 -","- C48 H55 N O10 -","- C96 H110 N2 O20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0537068","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100217","8.775","0.0017","10.558","0.002","15.442","0.003","89.165","0.004","79.929","0.004","67.509","0.003","1299.3","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H24 B Cl3 Mo N6 O5 -","- C22 H24 B Cl3 Mo N6 O5 -","- C44 H48 B2 Cl6 Mo2 N12 O10 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0538132","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100218","11.203","0.0002","13.3349","0.0002","14.7243","0.0003","95.661","0.001","96.933","0.001","103.407","0.001","2105.74","0.07","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 N2 O3 S -","- C20 H30 N2 O3 S -","- C80 H120 N8 O12 S4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051104i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100219","10.102","0.002","14.204","0.003","17.338","0.004","83.31","0.03","83.62","0.03","88.11","0.03","2455.1","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H45 Mn4 N10 O22.5 -","- C36 H44 Mn4 N10 O22.5 -","- C72 H88 Mn8 N20 O45 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050994z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100220","8.1041","0.0009","9.669","0.001","13.2092","0.0014","90","","94.113","0.002","90","","1032.39","0.19","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Ir N O4 -","- C21 H24 Ir N O4 -","- C42 H48 Ir2 N2 O8 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051532o","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100221","8.3752","0.0012","19.188","0.003","14.088","0.002","90","","96.132","0.002","90","","2251","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 Ir N O4 -","- C23 H28 Ir N O4 -","- C92 H112 Ir4 N4 O16 -","4","1","","Periana, R. A.; Bhalla, G","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051532o","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100222","9.828","0.003","18.793","0.005","25.558","0.007","75.083","0.007","86.603","0.007","80.683","0.006","4501","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H119 Co2 Cr2 N8 O12 -","- C96 H111 Co2 Cr2 N8 O12 -","- C192 H222 Co4 Cr4 N16 O24 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051874u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100223","13.4908","0.0014","19.0632","0.0017","20.867","0.002","90","","96.607","0.002","90","","5330.9","0.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H55 Cl6 N7 O7 S -","- C48 H55 Cl6 N7 O7 S -","- C192 H220 Cl24 N28 O28 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0522938","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178748","2020-10-21","18:00:00",""
"4100224","17.5831","0.0005","15.311","0.0005","18.6423","0.0007","90","","114.702","0.002","90","","4559.5","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H52 N10 O2 -","- C47 H46 N8 O2 -","- C188 H184 N32 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0522938","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100225","9.75","0.01","10.807","0.012","12.172","0.01","103.37","0.08","95.24","0.08","113.1","0.08","1123.7","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 O4 S -","- C26 H24 N2 O4 S -","- C52 H48 N4 O8 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518880","","","","","","","0.0355","","","0.1044","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100226","10.155","0.008","14.69","0.014","17.696","0.016","113.53","0.07","101.53","0.07","90.01","0.07","2362.1","3.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 O4 S -","- C26 H24 N2 O4 S -","- C104 H96 N8 O16 S4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518880","","","","","","","0.0386","","","0.0879","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100227","9.8027","0.0003","9.5376","0.0003","21.8327","0.0007","90","","100.932","0.002","90","","2004.19","0.11","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 I2 O10 P2 Zn2 -","- C34 H40 I2 O10 P2 Zn2 -","- C68 H80 I4 O20 P4 Zn4 -","2","0.5","","Charette, André B.; Poulard, Cyril; Bélanger-Gariépy, Francine","Structure of CHAR91","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100228","10.2202","0.0008","10.8186","0.0008","31.611","0.002","90","","97.093","0.002","90","","3468.4","0.5","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H98 B2 Li2 O8 -","- C78 H98 B2 Li2 O8 -","- C156 H196 B4 Li4 O16 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178748","2020-10-21","18:00:00",""
"4100229","12.3265","0.0006","12.3265","0.0006","29.6626","0.0019","90","","90","","90","","4507","0.4","133","2","133","2","","","","","","","","5","P 41","P 4w","76","gammma-TBC3_Br_TCE2","","","- C28 H30 Br Cl6 S16 -","- C28 H24 Br Cl6 S16 -","- C112 H96 Br4 Cl24 S64 -","4","1","","Michio M. Matsushita; Tadashi Sugawara","Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100230","12.4007","0.0003","12.4007","0.0003","29.8325","0.001","90","","90","","90","","4587.6","0.2","270","2","270","2","","","","","","","","5","P 41","P 4w","76","gammma-TBC3_Br_TCE2","","","- C28 H30 Br Cl6 S16 -","- C27.8 H16 Br Cl6 S16 -","- C111.2 H64 Br4 Cl24 S64 -","4","1","","Michio M. Matsushita; Tadashi Sugawara","Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100231","12.3954","0.0014","12.3954","0.0014","29.811","0.005","90","","90","","90","","4580.3","1.1","170","2","170","2","","","","","","","","5","P 41","P 4w","76","gammma-TBC3_Br_TCE2","","","- C28 H30 Br Cl6 S16 -","- C28 H24 Br Cl3.55 S16 -","- C112 H96 Br4 Cl14.2 S64 -","4","1","","Michio M. Matsushita; Tadashi Sugawara","Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100232","13.0074","0.0015","5.5271","0.0006","17.063","0.002","90","","106.658","0.002","90","","1175.2","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H35 N O4 -","- C23 H35 N O4 -","- C46 H70 N2 O8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100233","10.0876","0.0007","15.55","0.001","30.996","0.002","90","","90","","90","","4862.2","0.6","158.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H30 Cl2 N4 O5 P Re -","- C48 H51 Cl6 N3 O4 P Re -","- C192 H204 Cl24 N12 O16 P4 Re4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100234","10.9212","0.001","5.3916","0.0005","17.0437","0.0016","90","","90.27","0.003","90","","1003.57","0.16","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 N O4 S -","- C23 H23 N O4 S -","- C46 H46 N2 O8 S2 -","2","1","","Evans, P. Andrew; Lai, Kwong Wah; Sawyer, James R.","Regio- and Enantioselective Intermolecular Rhodium-Catalyzed [2+2+2] Carbocyclization Reactions of 1,6-Enynes with Methyl Arylpropiolates","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100235","9.792","0.0005","11.3547","0.0005","21.4063","0.0011","88.0654","0.0016","79.5006","0.0018","89.938","0.004","2338.8","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C43.5 H60 F N2 O7 P -","- C43 H38 F N2 O7 P -","- C86 H76 F2 N4 O14 P2 -","2","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100236","11.2661","0.0002","16.8443","0.0002","30.1188","0.0005","90","","90","","90","","5715.63","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C55 H87 O10 P -","- C55 H87 O10 P -","- C220 H348 O40 P4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100237","9.3397","0.0002","11.4953","0.0003","12.0017","0.0003","79.242","0.002","83.47","0.002","80.402","0.002","1243.62","0.05","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 N O5 -","- C28 H33 N O5 -","- C56 H66 N2 O10 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100238","17.3357","0.0003","18.3236","0.0004","11.5161","0.0005","90","","92.498","0.0013","90","","3654.64","0.19","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H46 N2 O7 S -","- C41 H46 N2 O7 S -","- C164 H184 N8 O28 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100239","11.1857","0.0002","12.2691","0.0003","16.4143","0.0004","87.112","0.001","74.288","0.001","76.143","0.001","2105.14","0.08","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H53 N2 O7 S -","- C47 H53 N2 O7 S -","- C94 H106 N4 O14 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100240","8.8203","0.0005","12.4682","0.0003","16.9791","0.0002","102.634","0.001","90.79","0.001","98.378","0.001","1800.57","0.11","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H45 N3 O8 -","- C38 H44.76 N3 O8 -","- C76 H89.52 N6 O16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100241","9.0359","0.0004","12.6771","0.0006","14.4654","0.0007","87.72","0.002","78.039","0.002","79.337","0.002","1593.03","0.13","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C34.5 H42 N2 O8.5 -","- C34.5 H42 N2 O8.5 -","- C69 H84 N4 O17 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100242","11.0603","0.0009","14.4019","0.0011","15.575","0.0012","90","","103.891","0.001","90","","2408.4","0.3","90","","90","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C94 H14 S4 Sc3 -","- C94 H14 S4 Sc2.996 -","- C188 H28 S8 Sc5.992 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","201210","2020-10-21","18:00:00",""
"4100243","16.0353","0.0015","25.543","0.002","15.0618","0.0014","90","","90","","90","","6169.2","1","90","","90","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C109 H50 N S2 Sc3 -","- C109 H50 N S2 Sc2.9956 -","- C436 H200 N4 S8 Sc11.9824 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100244","6.5893","0.0013","5.4676","0.0011","18.392","0.003","90","","96.499","0.006","90","","658.4","0.2","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H18 N4 O3 S -","- C10.9991 H17.9979 N4 O3 S0.9997 -","- C21.9982 H35.9958 N8 O6 S1.9994 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4100245","6.0389","0.0007","7.2672","0.0009","12.9258","0.0015","90","","99.908","0.002","90","","558.8","0.11","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H16 N4 O5 -","- C8 H16 N4 O5 -","- C16 H32 N8 O10 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100246","12.24","0.003","21.081","0.005","6.1137","0.0014","90","","90","","90","","1577.6","0.6","193","2","193","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H22 N4 O4 -","- C12 H22 N4 O4 -","- C48 H88 N16 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100247","4.8451","0.0018","18.326","0.007","8.678","0.003","90","","104.029","0.007","90","","747.5","0.5","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H20 N4 O8 -","- C10 H20 N4 O8 -","- C20 H40 N8 O16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100248","4.9316","0.0007","15.472","0.002","8.6253","0.0013","90","","99.102","0.004","90","","649.84","0.17","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H16 N4 O5 -","- C11 H16 N4 O5 -","- C22 H32 N8 O10 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100249","9.283","0.002","18.035","0.004","8.549","0.002","90","","90","","90","","1431.2","0.6","193","2","193","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C22 H42 N8 O9 -","- C22 H42 N8 O9 -","- C44 H84 N16 O18 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100250","11.839","0.017","17.17","0.02","27.07","0.08","90","","92.689","0.019","90","","5497","19","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H74 N4 O8 Pd -","- C62 H74 N4 O8 Pd -","- C248 H296 N16 O32 Pd4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100251","16.191","0.015","24.3","0.02","30.66","0.05","105.54","0.05","101.08","0.05","90.607","0.011","11381","24","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C63.5 H77 N4 O8.5 Pd -","- C63.5 H75.5 N4 O8.5 Pd -","- C508 H604 N32 O68 Pd8 -","8","4","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100252","11.3837","0.0006","36.2251","0.0019","13.6178","0.0008","90","","97.838","0.003","90","","5563.2","0.5","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H74 N4 O8 Pd -","- C62 H74 N4 O8 Pd -","- C248 H296 N16 O32 Pd4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100253","24.017","0.002","12.684","0.001","13.349","0.001","90","","114.421","0.002","90","","3702.7","0.7","146.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 F6 O6 Pt S2 -","- C13 H15 F6 O6 Pt S2 -","- C104 H120 F48 O48 Pt8 S16 -","8","1","","Dmitry Karshtedt","Platinum-Based Catalysts for the Hydroamination of Olefins with Sulfonamides","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100254","12.013","0.009","8.448","0.006","15.988","0.012","90","","104.015","0.013","90","","1574.3","1.9","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H42 N2 O8 -","- C33 H42 N2 O8 -","- C66 H84 N4 O16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100255","15.5378","0.0012","15.5378","0.0012","27.043","0.004","90","","90","","90","","6528.9","1.2","27","2","27","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C232 H172 Cl68 N32 O2 Ru8 -","4","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100256","15.7834","0.0005","15.7834","0.0005","27.0879","0.0017","90","","90","","90","","6748","0.5","300","2","300","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C232 H172 Cl68 N32 O2 Ru8 -","4","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100257","19.4501","0.001","19.4501","0.001","28.922","0.003","90","","90","","120","","9475.6","1.2","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","05090","","","- C24.5 H61 Cl13 Cu3 F18 N6 S2 Sb3 -","- C24.51 H61.02 Cl13.02 Cu3 F18 N6 S2 Sb3 -","- C147.06 H366.12 Cl78.12 Cu18 F108 N36 S12 Sb18 -","6","0.333333","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100258","12.81","0.005","24.332","0.005","18.638","0.005","90","","90","","90","","5809","3","173","2","173","2","","","","","","","","8","C 2 2 21","C 2c 2","20","05073","","","- C33 H72 Cl6 Cu3 F18 N6 P3 S2 -","- C33 H72 Cl6 Cu3 F18 N6 P3 S2 -","- C132 H288 Cl24 Cu12 F72 N24 P12 S8 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100259","10.9433","0.0007","13.8349","0.001","14.3122","0.0008","72.949","0.005","78.142","0.004","75.68","0.005","1986.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H110 Br2 N2 O4 Ru2 S8 -","- C74 H110 Br2 N2 O4 Ru2 S8 -","- C74 H110 Br2 N2 O4 Ru2 S8 -","1","0.5","","Prakash, R.; Czaja, A. U.; Heinemann, F. W.; Sellmann, D.","Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II) Nitrosyl Complex: a Facile Delivery of Nitric Oxide","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","208160","2020-10-21","18:00:00",""
"4100260","9.4625","0.0008","9.9173","0.0007","16.7418","0.0008","99.58","0.005","92.874","0.005","101.063","0.006","1514.91","0.18","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C65 H76 N2 O2 Ru S4 Si2 -","- C65 H76 N2 O2 Ru S4 Si2 -","- C65 H76 N2 O2 Ru S4 Si2 -","1","1","","Prakash, R.; Czaja, A. U.; Heinemann, F. W.; Sellmann, D.","Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II) Nitrosyl Complex: a Facile Delivery of Nitric Oxide","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","208164","2020-10-21","18:00:00",""
"4100261","11.3865","0.0002","28.604","0.0005","17.1645","0.0003","90","","92.782","0.002","90","","5583.88","0.17","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C58 H48 Br Cl2 N3 O Ru S4 Si2 -","- C58 H48 Br Cl2 N3 O Ru S4 Si2 -","- C232 H192 Br4 Cl8 N12 O4 Ru4 S16 Si8 -","4","1","","Prakash, R.; Czaja, A. U.; Heinemann, F. W.; Sellmann, D.","Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II) Nitrosyl Complex: a Facile Delivery of Nitric Oxide","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4100262","19.8857","0.0004","10.9211","0.0002","26.5136","0.0005","90","","98.956","0.001","90","","5687.9","0.2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C61 H57 Br N3 O2 Ru S4 Si2 -","- C61 H57 Br N3 O2 Ru S4 Si2 -","- C244 H228 Br4 N12 O8 Ru4 S16 Si8 -","4","0.5","","Prakash, R.; Czaja, A. U.; Heinemann, F. W.; Sellmann, D.","Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II) Nitrosyl Complex: a Facile Delivery of Nitric Oxide","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4100263","25.048","0.002","11.7172","0.001","15.9494","0.0014","90","","94.255","0.002","90","","4668.1","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H25 Br Cl2 N Ni0.5 -","- C25 H25 Br Cl2 N Ni0.5 -","- C200 H200 Br8 Cl16 N8 Ni4 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100264","10.5395","0.0018","14.49","0.003","19.322","0.004","90","","90","","90","","2950.7","0.9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H40 B10 Cl Li O2 Zr -","- C20 H40 B10 Cl Li O2 Zr -","- C80 H160 B40 Cl4 Li4 O8 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100265","10.556","0.002","24.47","0.0013","13.1219","0.0016","90","","90","","90","","3389.3","0.8","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C29 H50 B10 N2 O Zr -","- C29 H50 B10 N2 O Zr -","- C116 H200 B40 N8 O4 Zr4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201210","2020-10-21","18:00:00",""
"4100266","10.8276","0.0006","11.4701","0.0007","11.7051","0.0007","72.599","0.001","78.075","0.001","86.91","0.001","1357.19","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H33 B10 N3 O Zr -","- C22 H33 B10 N3 O Zr -","- C44 H66 B20 N6 O2 Zr2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100267","11.4402","0.0009","22.1976","0.0018","15.326","0.0012","90","","91.335","0.002","90","","3890.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H51 B10 N3 O0.5 Zr -","- C29 H51 B10 N3 O0.5 Zr -","- C116 H204 B40 N12 O2 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100268","11.009","0.002","11.266","0.002","22.931","0.005","90","","90","","90","","2844.2","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 B10 N2 Zr -","- C26 H30 B10 N2 Zr -","- C104 H120 B40 N8 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100269","5.4939","0.0011","11.115","0.002","15.503","0.003","90","","90","","90","","946.7","0.3","150","2","150","2","","","","","","","","4","P n 21 m","P -2 -2bc","31","","","","- Bi4 Mn2.7 Ni1.3 O12 -","- Bi4 Mn2.72 Ni1.28 O12 -","- Bi16 Mn10.88 Ni5.12 O48 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100270","11.5598","0.0011","17.1877","0.0019","19.413","0.002","89.31","0.003","86.152","0.003","83.293","0.003","3822.1","0.7","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H36 S11 -","- C40 H36 S11 -","- C160 H144 S44 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100271","16.309","0.004","8.446","0.002","22.011","0.005","90","","94.396","0.006","90","","3022.9","1.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 S7 -","- C32 H36 S7 -","- C128 H144 S28 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100272","12.236","0.003","23.692","0.006","10.969","0.003","90","","90","","90","","3179.9","1.3","193","2","193","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C17 H28 O2 -","- C17 H28 O2 -","- C136 H224 O16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100273","8.6513","0.0014","9.3877","0.0015","19.313","0.003","90","","90","","90","","1568.5","0.4","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O2 -","- C17 H28 O2 -","- C68 H112 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100274","7.6245","0.0009","9.0143","0.0011","11.5451","0.0014","100.447","0.002","101.757","0.002","98.479","0.002","749.82","0.16","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H26 O2 -","- C17 H26 O2 -","- C34 H52 O4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100275","6.431","0.002","17.308","0.006","16.719","0.006","90","","90.93","0.01","90","","1860.7","1.1","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","compound 24","","","- C40 H54 B N O4 Si -","- C40 H54 B N O4 Si -","- C80 H108 B2 N2 O8 Si2 -","2","1","","Biljana Peric Simov; Frank Wuggenig; Kurt Mereiter; Hendrik Andres; Julien France; Peter Schnelli; Friedrich Hammerschmidt","Direct Chemical Synthesis of Chiral Methanol of 98% ee Isolated as its 3,5-Dinitrobenzoate","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100276","9.439","0.001","25.767","0.001","9.547","0.001","90","","113.02","0.01","90","","2137.1","0.3","198","2","198","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H53 Cl2 Co N3 O -","- C46 H53 Cl2 Co N3 O -","- C92 H106 Cl4 Co2 N6 O2 -","2","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100277","9.872","0.001","27.669","0.001","13.89","0.001","90","","96.96","0.01","90","","3766.1","0.5","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H47 Cl Co N3 -","- C43 H47 Cl Co N3 -","- C172 H188 Cl4 Co4 N12 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100278","8.775","0.001","22.971","0.001","15.634","0.001","90","","101.2","0.01","90","","3091.3","0.4","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H43 Cl Co N3 -","- C33 H43 Cl Co N3 -","- C132 H172 Cl4 Co4 N12 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100279","20.027","0.001","12.241","0.001","25.895","0.001","90","","93.75","0.01","90","","6334.6","0.7","198","2","198","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H53 B Br Co F20 N4 -","- C68 H53 B Br Co F20 N4 -","- C272 H212 B4 Br4 Co4 F80 N16 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100280","19.736","0.002","11.967","0.001","16.077","0.002","90","","106.03","0.01","90","","3649.4","0.7","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 N3 -","- C43 H47 N3 -","- C172 H188 N12 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100281","13.521","0.001","16.29","0.001","19.298","0.001","90","","98.26","0.01","90","","4206.4","0.5","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46.5 H51 Cl2 Fe N3 -","- C46.5 H51 Cl2 Fe N3 -","- C186 H204 Cl8 Fe4 N12 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219032","2020-10-21","18:00:00",""
"4100282","27.0925","0.001","27.0925","","8.2461","0.0003","90","","90","","90","","6052.7","0.3","117","1","117","1","","","","","","","","4","I -4","I -4","82","","","","- C33 H43 N3 O2 -","- C33 H43 N3 O2 -","- C264 H344 N24 O16 -","8","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100283","11.5856","0.0005","18.9039","0.001","34.762","0.0016","90","","90","","90","","7613.3","0.6","117","1","117","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H51 Cl2 Fe N3 O2 -","- C40 H51 Cl2 Fe N3 O2 -","- C320 H408 Cl16 Fe8 N24 O16 -","8","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100284","35.52","0.003","11.5844","0.001","18.7071","0.0016","90","","90","","90","","7697.6","1.1","117","1","117","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C39 H55 Cl2 Co N3 O3.5 -","- C39 H55 Cl2 Co N3 O3.5 -","- C312 H440 Cl16 Co8 N24 O28 -","8","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100285","11.7149","0.0009","13.5659","0.001","20.8201","0.0016","90","","105.229","0.002","90","","3192.6","0.4","117","1","117","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Co N3 O2 -","- C34 H46 Co N3 O2 -","- C136 H184 Co4 N12 O8 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100286","18.2816","0.0007","13.9935","0.0005","18.7573","0.0007","90","","96.312","0.001","90","","4769.5","0.3","117","1","117","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H46 B Co F15 N3 O2 -","- C52 H46 B Co F15 N3 O2 -","- C208 H184 B4 Co4 F60 N12 O8 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100287","10.338","0.004","17.76","0.008","11.002","0.005","90","","106.408","0.008","90","","1937.7","1.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H60 O19 V6 -","- C24 H60 O19 V6 -","- C48 H120 O38 V12 -","2","0.5","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates","219223","2020-10-21","18:00:00",""
"4100288","17.5332","0.0015","17.5332","0.0015","11.224","0.002","90","","90","","120","","2988.2","0.6","295","2","295","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C24 H60 O19 V6 -","- C24 H66 O19 V6 -","- C72 H198 O57 V18 -","3","0.0833333","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219223","2020-10-21","18:00:00",""
"4100289","10.4567","0.0017","10.5469","0.0017","10.6194","0.0017","88.751","0.004","86.169","0.004","88.269","0.004","1167.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H60 Cl6 O19 Sb V6 -","- C24 H60 Cl6 O19 Sb V6 -","- C24 H60 Cl6 O19 Sb V6 -","1","0.5","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219223","2020-10-21","18:00:00",""
"4100290","11.1503","0.0019","11.584","0.002","12.829","0.002","109.445","0.003","102.351","0.004","93.771","0.004","1509.3","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H64 Cl16 O19 Sb2 V6 -","- C26 H64 Cl16 O19 Sb2 V6 -","- C26 H64 Cl16 O19 Sb2 V6 -","1","0.5","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates","219223","2020-10-21","18:00:00",""
"4100291","20.8343","0.0012","10.083","0.0006","13.5064","0.0008","90","","90","","90","","2837.3","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H36 O19 V6 -","- C12 H36 O19 V6 -","- C48 H144 O76 V24 -","4","1","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates","219223","2020-10-21","18:00:00",""
"4100292","13.943","0.004","13.943","0.004","16.773","0.006","90","","90","","120","","2823.8","1.5","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H36 Cl6 O19 Sb V6 -","- C4 H12 Cl2 O6.33333 Sb0.333333 V2 -","- C36 H108 Cl18 O57 Sb3 V18 -","9","0.5","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219223","2020-10-21","18:00:00",""
"4100293","10.485","0.002","15.867","0.003","16.467","0.003","90","","101.66","0.03","90","","2683","0.9","253","2","253","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H58 P4 Ru -","- C60 H58 P4 Ru -","- C120 H116 P8 Ru2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178748","2020-10-21","18:00:00",""
"4100294","10.235","0.002","11.677","0.002","14.976","0.003","90","","99.97","0.03","90","","1762.8","0.6","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 N2 P4 Ru -","- C32 H52 N2 P4 Ru -","- C64 H104 N4 P8 Ru2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178748","2020-10-21","18:00:00",""
"4100295","13.283","0.003","12.833","0.003","22.746","0.005","90","0.005","90","0.005","90","0.005","3877.3","1.5","301","2","301","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H50 P4 Ru -","- C40 H50 P4 Ru -","- C160 H200 P16 Ru4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100296","12.9478","0.0006","17.5133","0.0009","16.9599","0.0009","90","","111.879","0.001","90","","3568.8","0.3","100","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 Er4 Hg2 N8 Se10 -","- C118.712 H184.78 Cl2 Cr2 N4 O8.678 P2 -","- C237.424 H369.56 Cl4 Cr4 N8 O17.356 P4 -","2","0.5","","Anna Kornienko; Santanu Banerjee; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Heterometallic Chalcogenido Clusters Containing Lanthanides and Main Group Metals: Emissive Precursors to Ternary Solid-State Compounds","Journal of the American Chemical Society","2005","127","","14008","14014","10.1021/ja0534708","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178748","2020-10-21","18:00:00",""
"4100297","27.264","0.004","21.61","0.003","17.695","0.003","90","","90.546","0.003","90","","10425","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H59 Cl0.5 Cr0.5 N5 O3 P2 -","- C58 H59 Cl0.5 Cr0.5 N5 O3 P2 -","- C464 H472 Cl4 Cr4 N40 O24 P16 -","8","2","","Donald J. Darensbourg; Ryan M. Mackiewicz","Role of the Cocatalyst in the Copolymerization of CO2 and Cyclohexene Oxide Utilizing Chromium Salen Complexes","Journal of the American Chemical Society","2005","127","","14026","14038","10.1021/ja053544f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100298","14.41","0.004","11.391","0.003","17.611","0.004","90","","103.542","0.005","90","","2810.3","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H40 Cr N7 O2 -","- C60 H80 Cr N7 O2 -","- C120 H160 Cr2 N14 O4 -","2","1","","Donald J. Darensbourg; Ryan M. Mackiewicz","Role of the Cocatalyst in the Copolymerization of CO2 and Cyclohexene Oxide Utilizing Chromium Salen Complexes","Journal of the American Chemical Society","2005","127","","14026","14038","10.1021/ja053544f","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100299","9.2374","0.001","18.966","0.002","4.6027","0.0005","90","","90","","90","","806.37","0.15","243","2","243","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C8 H9 N O S -","- C8 H9 N O S -","- C32 H36 N4 O4 S4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100300","9.9894","0.0014","10.6153","0.0015","17.306","0.002","105.875","0.003","92.654","0.003","96.521","0.003","1748","0.4","243","2","243","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H30 B N7 O S4 Zn -","- C35 H30 B N7 O S4 Zn -","- C70 H60 B2 N14 O2 S8 Zn2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100301","17.64","0.001","9.8639","0.0006","25.2516","0.0016","90","","110.351","0.001","90","","4119.5","0.4","233","2","233","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H39 B N7 O2.5 S4 Zn -","- C38 H39 B N7 O2.5 S4 Zn -","- C152 H156 B4 N28 O10 S16 Zn4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100302","34.2735","0.0019","10.1637","0.0007","24.2411","0.0015","90","","110.735","0.003","90","","7897.3","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H56 N2 Zr2 -","- C46 H56 N2 Zr2 -","- C368 H448 N16 Zr16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100303","22.2372","0.0005","22.2372","0.0005","12.7232","0.0007","90","","90","","90","","6291.5","0.4","173","2","173","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C36 H52 N2 Zr2 -","- C36 H52 N2 Zr2 -","- C288 H416 N16 Zr16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100304","11.6843","0.0007","12.2044","0.0008","16.2169","0.0011","98.848","0.004","106.712","0.003","96.448","0.003","2158.3","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H67 N2 Zr2 -","- C51 H67 N2 Zr2 -","- C102 H134 N4 Zr4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100305","11.719","0.003","9.905","0.002","17.403","0.005","90","","97.939","0.01","90","","2000.9","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H38 N2 O3 Ru -","- C46 H38 N2 O3 Ru -","- C92 H76 N4 O6 Ru2 -","2","1","","Ilia A. Guzei","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100306","11.7114","0.0006","11.7098","0.0006","7.9329","0.0004","80.255","0.008","99.759","0.008","39.5969","0.0005","600.46","0.07","","","","","","","","","","","","5","P -1","-P 1","2","","","","- Cu2 La4 Mo O12 Zn -","- Cu2.00001 La4 Mo O12 Zn0.99999 -","- Cu4.00002 La8 Mo2 O24 Zn1.99998 -","2","1","","Li, Guobao; You, Liping; Wei, Wutao; Lu, Yue; Ju, Jing; Wannberg, Anders; Rundlöf, Håkan; Zou, Xiaodong; Yang, Tao; Tian, Shujian; Liao, Fuhui; Toyota, Naoki; Lin, Jianhua","La~4~Cu~3-x~Zn~x~MoO~12~: Zinc-Doped Cuprates with Kagomé Lattices","Journal of the American Chemical Society","2005","127","40","14094","14099","10.1021/ja053489a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","278158","2022-09-26","15:28:11",""
"4100307","15.922","0.002","14.31","0.0018","14.658","0.0018","90","","104.236","0.002","90","","3237.1","0.7","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 B Cl3 N7 Rh -","- C26 H44 B Cl3 N7 Rh -","- C104 H176 B4 Cl12 N28 Rh4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100308","10.5031","0.0001","18.9228","0.0003","25.0747","0.0005","90","","90","","90","","4983.55","0.14","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C14 H10 Co O4 -","- C14 H10 Co O4 -","- C224 H160 Co16 O64 -","16","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100309","10.4764","0.0002","10.5116","0.0002","10.9597","0.0002","85.32","0.001","86.288","0.001","88.897","0.001","1200.26","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H40 Co3 N2 O12 -","- C52 H40 Co3 N2 O12 -","- C52 H40 Co3 N2 O12 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100310","13.5935","0.0003","20.5552","0.0005","20.2288","0.0006","90","","101.267","0.001","90","","5543.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C119 H99 Co6 O30 -","- C119 H99 Co6 O30 -","- C238 H198 Co12 O60 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100311","11.3534","0.0001","11.9927","0.0002","23.2928","0.0004","98.732","0.001","90.811","0.001","106.525","0.001","2999.75","0.08","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H56 Mn N6 Ni2 O12 -","- C66 H56 Mn N6 Ni2 O12 -","- C132 H112 Mn2 N12 Ni4 O24 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100312","18.7936","0.0003","20.8663","0.0004","25.3089","0.0006","90","","106.229","0.001","90","","9529.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H76 Co2 Ni4 O30 -","- C98 H76 Co2 Ni4 O30 -","- C392 H304 Co8 Ni16 O120 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100313","10.6761","0.0002","19.1023","0.0005","24.9963","0.001","90","","90","","90","","5097.7","0.3","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C28 H20 Co Mn O8 -","- C28 H20 Co Mn O8 -","- C224 H160 Co8 Mn8 O64 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100314","8.836","0.0003","15.257","0.0006","17.437","0.0007","79.554","0.0016","86.526","0.0013","80.798","0.0017","2280.78","0.15","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H26 Cl2 Hg N6 O13 Ru S2 -","- C26 H16 Cl2 Hg N6 O13 Ru S2 -","- C52 H32 Cl4 Hg2 N12 O26 Ru2 S4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100315","13.513","0.003","12.731","0.003","16.728","0.004","90","","111.403","0.004","90","","2679.3","1","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H80 Cl10 Fe4 N6 -","- C32 H80 Cl10 Fe4 N6 -","- C64 H160 Cl20 Fe8 N12 -","2","0.5","","Bennett, Miriam V.; Stoian, Sebastian.; Bominaar, Emile L.; Munck, Eckard; Holm, R. H.","Initial Members of the Family of Molecular Mid-Valent High-Nuclearity Iron Nitrides: [Fe4N2X10]4- and [Fe10N8X12]5- (X = Cl-, Br-)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100316","10.064","0.005","12.042","0.006","24.16","0.012","90","","90.519","0.01","90","","2928","2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H86 Cl10 Fe4 N8 -","- C36 H86 Cl10 Fe4 N8 -","- C72 H172 Cl20 Fe8 N16 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100317","11.502","0.003","11.882","0.003","12.206","0.003","108.305","0.005","103.908","0.005","107.892","0.005","1398.5","0.6","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H80 Br10 Fe4 N6 -","- C32 H80 Br10 Fe4 N6 -","- C32 H80 Br10 Fe4 N6 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100318","43.523","0.015","23.303","0.008","15.201","0.005","90","","90","","90","","15417","9","193","2","193","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C44 H103 Cl12 Fe10 N15 -","- C44 H103 Cl12 Fe10 N15 -","- C352 H824 Cl96 Fe80 N120 -","8","","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100319","11.514","0.003","25.738","0.005","25.254","0.005","90","","90","","90","","7484","3","193","2","193","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C44 H32 Br12 Fe10 N13 -","- C44 H32 Br12 Fe10 N13 -","- C176 H128 Br48 Fe40 N52 -","4","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100320","14.8106","0.0003","10.495","0.0003","30.8449","0.001","90","","103.297","0.0016","90","","4665.9","0.2","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H41 P Ti -","- C24 H41 P Ti -","- C192 H328 P8 Ti8 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052214s","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100321","10.6523","0.0002","14.1425","0.0002","19.0644","0.0003","90.767","0.0011","103.029","0.0008","92.0666","0.0011","2795.62","0.08","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H84 F8 Ti4 -","- C52 H84 F8 Ti4 -","- C104 H168 F16 Ti8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052214s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100322","13.6891","0.0013","19.5881","0.0018","10.1627","0.001","90","","95.125","0.002","90","","2714.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 N Si2 -","- C27 H37 N Si2 -","- C108 H148 N4 Si8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100323","15.202","0.003","16.481","0.003","16.361","0.003","90","","109.26","0.03","90","","3869.6","1.3","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H56 N P2 Rh Si2 -","- C38 H56 N P2 Rh Si2 -","- C152 H224 N4 P8 Rh4 Si8 -","4","0.5","","Krug, C.; Hartwig, J. F.","Transfer of an Amido Group from Rhodium(I) to an Unactivated Olefin","Journal of the American Chemical Society","2005","","","","","10.1021/ja052473h","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100324","9.757","0.002","12.353","0.003","22.411","0.005","90","","101.08","0.03","90","","2650.9","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H76 N2 P4 Rh2 -","- C54 H76 N2 P4 Rh2 -","- C108 H152 N4 P8 Rh4 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052473h","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100325","39.605","0.004","10.0796","0.0008","15.831","0.0014","90","","103.419","0.002","90","","6147.2","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H47 Cl N4 Si2 -","- C27 H47 Cl N4 Si2 -","- C216 H376 Cl8 N32 Si16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178749","2020-10-21","18:00:00",""
"4100326","9.9685","0.0008","12.0502","0.0008","15.0987","0.0011","90","","90","","90","","1813.7","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 Br N2 Si -","- C16 H25 Br N2 Si -","- C64 H100 Br4 N8 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100327","10.0175","0.0008","10.0979","0.0008","16.7974","0.0012","82.555","0.001","86.374","0.002","61.183","0.001","1476.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H45 Br N4 Si2 -","- C26 H45 Br N4 Si2 -","- C52 H90 Br2 N8 Si4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100328","13.4619","0.0013","9.4603","0.0009","27.419","0.003","90","","95.668","0.002","90","","3474.8","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H40 F7.5 I1.5 N4 Si2 -","- C26 H40 F5 I N4 Si2 -","- C104 H160 F20 I4 N16 Si8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100329","10.1224","0.0011","15.9526","0.0018","16.8701","0.0018","90","","90","","90","","2724.2","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H41 Cl3 N4 Si2 -","- C21 H41 Cl3 N4 Si2 -","- C84 H164 Cl12 N16 Si8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100330","10.288","0.0009","11.3745","0.0009","12.3997","0.0009","90","","92.421","0.002","90","","1449.7","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H53 Cl N4 Si2 -","- C24 H53 Cl N4 Si2 -","- C48 H106 Cl2 N8 Si4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100331","12.5909","0.0006","9.8884","0.0005","20.6792","0.001","90","","96.004","0.001","90","","2560.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 Cl2 N4 Si2 -","- C20 H40 Cl2 N4 Si2 -","- C80 H160 Cl8 N16 Si8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100332","12.0505","0.0009","16.8545","0.0012","12.7894","0.0009","90","","94.94","0.001","90","","2587.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H44 Cl2 N4 Si2 -","- C20 H44 Cl2 N4 Si2 -","- C80 H176 Cl8 N16 Si8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100333","9.0609","0.0016","10.806","0.002","13.188","0.004","99.668","0.01","97.413","0.013","97.84","0.009","1245.7","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N O4 S -","- C28 H29 N O4 S -","- C56 H58 N2 O8 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100334","6.5428","0.0003","14.7024","0.0008","31.477","0.002","90","","90","","90","","3027.9","0.3","143.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 Br Cl2 N4 O10 -","- C27 H25 Br Cl2 N4 O10 -","- C108 H100 Br4 Cl8 N16 O40 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100335","11.763","0.006","12.695","0.007","14.822","0.008","85.997","0.012","87.468","0.013","78.568","0.012","2163.1","2","293","","","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H46 Cl N O2 P2 Pd -","- C50 H46 Cl N O2 P2 Pd -","- C100 H92 Cl2 N2 O4 P4 Pd2 -","2","1","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100336","28.1891","0.0011","28.1878","0.0013","12.0345","0.0005","90","","90","","90","","9562.5","0.7","293.1","","","","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C24 H35 Cl N2 Pd -","- C24 H35 Cl N2 Pd -","- C384 H560 Cl16 N32 Pd16 -","16","2","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100337","14.139","0.003","24.411","0.005","15.468","0.003","90","","113.889","0.002","90","","4881.5","1.8","173.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 Cl N2 Pd -","- C26.5 H39 Cl2 N2 Pd -","- C212 H312 Cl16 N16 Pd8 -","8","2","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100338","12.278","0.003","13.33","0.003","17.546","0.004","88.863","0.009","88.465","0.008","63.02","0.005","2558.2","1","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H57 Cl N2 P2 Pd -","- C62 H57 Cl N2 P2 Pd -","- C124 H114 Cl2 N4 P4 Pd2 -","2","1","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100339","18.804","0.003","8.874","0.001","24.37","0.004","89","","89","","90","","4066.7","1.2","173.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H31 Cl N2 Pd -","- C20 H31 Cl N2 Pd -","- C160 H248 Cl8 N16 Pd8 -","8","1","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100340","20.739","0.003","22.011","0.003","28.091","0.004","90","","90","","90","","12822.9","3.5","173.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H45 Cl3 N2 Pd -","- C33 H38.5 Cl3 N2 Pd -","- C528 H616 Cl48 N32 Pd16 -","16","2","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100341","19.546","0.003","17.932","0.003","24.484","0.004","90","","90","","90","","8581.7","2.6","173.1","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H23 Cl N2 Pd -","- C24 H23 Cl N2 Pd -","- C384 H368 Cl16 N32 Pd16 -","16","4","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100342","13.426","0.002","18.748","0.003","19.735","0.003","89.998","0.003","99.884","0.003","89.998","0.003","4893.8","1.4","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H53 Cl N2 P2 Pd -","- C60 H53 Cl N2 P2 Pd -","- C240 H212 Cl4 N8 P8 Pd4 -","4","2","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100343","12.116","0.003","12.229","0.003","19.976","0.005","80.272","0.01","74.98","0.01","64.724","0.008","2579.3","1","173.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C62 H57 Cl N2 O2 P2 Pd -","- C62 H57 Cl N2 O2 P2 Pd -","- C124 H114 Cl2 N4 O4 P4 Pd2 -","2","1","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100344","12.2613","0.0005","12.4185","0.0005","23.9133","0.0011","90","","90","","90","","3641.2","0.3","173.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H45 Cl N4 O2 Pd -","- C41 H45 Cl N4 O2 Pd -","- C164 H180 Cl4 N16 O8 Pd4 -","4","1","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100345","10.0483","0.0009","24.824","0.002","9.4468","0.0003","90","","90","","90","","2356.4","0.7","150.2","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C31 H29 N -","- C31 H29 N -","- C124 H116 N4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100346","23.75","0.02","8.456","0.009","18.78","0.02","90","","118.39","","90","","3318","6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H28 Cl2 O8 -","- C39 H28 Cl2 O8 -","- C156 H112 Cl8 O32 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052828x","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100347","8.4828","0.0008","13.0644","0.0013","13.703","0.002","90","","101.579","0.013","90","","1487.7","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34.2 H14.4 Cl0.4 F12 -","- C34.2 H14.4 Cl0.4 F12 -","- C68.4 H28.8 Cl0.8 F24 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052828x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100348","28.0983","0.0009","12.0933","0.0005","19.9538","0.0007","90","","128.477","0.001","90","","5308","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H64 Cl4 N4 -","- C62 H64 Cl4 N4 -","- C248 H256 Cl16 N16 -","4","0.5","","Yamamoto, Yohsuke; Yamamoto, Akihiro; Furuta, Shin-ya; Horie, Masanori; Kodama, Megumi; Sato, Wataru; Akiba, Kin-ya; Tsuzuki, Seiji; Uchimaru, Tadafumi; Hashizume, Daisuke; Iwasaki, Fujiko","Synthesis and Structure of 16 π Octaalkyltetraphenylporphyrins","Journal of the American Chemical Society","2005","127","42","14540","14541","10.1021/ja052842+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","190779","2020-10-21","18:00:00",""
"4100349","13.1254","0.0006","13.804","0.0006","16.7037","0.0007","103.853","0.001","96.6651","0.001","108.434","0.0013","2726.5","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C64 H74 N4 O2 -","- C64 H74 N4 O2 -","- C128 H148 N8 O4 -","2","1","","Yamamoto, Yohsuke; Yamamoto, Akihiro; Furuta, Shin-ya; Horie, Masanori; Kodama, Megumi; Sato, Wataru; Akiba, Kin-ya; Tsuzuki, Seiji; Uchimaru, Tadafumi; Hashizume, Daisuke; Iwasaki, Fujiko","Synthesis and Structure of 16 π Octaalkyltetraphenylporphyrins","Journal of the American Chemical Society","2005","127","42","14540","14541","10.1021/ja052842+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100350","18.048","0.0003","18.048","0.0003","25.862","0.0006","90","","90","","90","","8424","0.3","200","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C76 H94 N4 O -","- C76 H92 N4 O2 -","- C304 H368 N16 O8 -","4","0.25","","Yamamoto, Yohsuke; Yamamoto, Akihiro; Furuta, Shin-ya; Horie, Masanori; Kodama, Megumi; Sato, Wataru; Akiba, Kin-ya; Tsuzuki, Seiji; Uchimaru, Tadafumi; Hashizume, Daisuke; Iwasaki, Fujiko","Synthesis and Structure of 16 π Octaalkyltetraphenylporphyrins","Journal of the American Chemical Society","2005","127","42","14540","14541","10.1021/ja052842+","","","","","","","","","","","","","","","","","","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4100351","23.509","0.001","10.5602","0.0006","16.909","0.002","90","","99.166","0.006","90","","4144.1","0.5","298.2","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C56 H42 -","- C56 H42 -","- C224 H168 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052864w","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100352","12.0856","0.0008","19.236","0.001","15.8922","0.0009","90","","93.143","0.003","90","","3688.9","0.4","298.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 S8 -","- C40 H23 S8 -","- C160 H92 S32 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052864w","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100353","8.941","0.001","10.139","0.001","8.765","0.001","90","","90","","90","","794.57","0.15","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H6 F5 N O Si -","- C3 H6 F5 N O Si -","- C12 H24 F20 N4 O4 Si4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100354","11.4","0.01","11.52","0.01","15.24","0.01","67.97","0.04","88.4","0.1","66.31","0.04","1682","2","153.2","","153.2","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H42 B2 F24 Zr2 -","- C76 H42 B2 F24 Zr2 -","- C76 H42 B2 F24 Zr2 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100355","6.9082","0.0014","21.246","0.004","21.65","0.004","64.24","0.03","81.37","0.03","82.51","0.03","2822","1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","N-methylcarbazole - trimeric perfluoro-ortho-phenylene mercury","","","- C31 H11 F12 Hg3 N -","- C31 H11 F12 Hg3 N -","- C124 H44 F48 Hg12 N4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053004i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100356","10.6791","0.0004","8.0091","0.0002","11.6796","0.0004","90","","107.846","0.0015","90","","950.89","0.05","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 B10 N2 -","- C16 H18 B10 N2 -","- C32 H36 B20 N4 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053050i","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100357","62.1128","0.001","22.0071","0.0003","14.0494","0.0002","90","","89.9411","0.0008","90","","19204.4","0.5","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H70 B10 I2 P4 Pt2 -","- C30 H70 B10 I2 P4 Pt2 -","- C480 H1120 B160 I32 P64 Pt32 -","16","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053050i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178749","2020-10-21","18:00:00",""
"4100358","7.6658","0.0018","16.54","0.004","26.737","0.006","90","","91.558","0.005","90","","3388.8","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cu N6 O4 S2 -","- C36 H36 Cu N6 O4 S2 -","- C144 H144 Cu4 N24 O16 S8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053150o","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100359","8.407","0.004","13.578","0.007","15.815","0.006","72.28","0.02","80.88","0.02","89.7","0.03","1695.9","1.4","133.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H35 F3 N2 O4 S -","- C42 H35 F3 N2 O4 S -","- C84 H70 F6 N4 O8 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053161h","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100360","8.208","0.002","14.152","0.004","16.716","0.005","109.75","0.005","97.638","0.005","90.402","0.003","1808.4","0.9","103.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 Cl3 F3 N2 O3 S -","- C42 H32 Cl3 F3 N2 O3 S -","- C84 H64 Cl6 F6 N4 O6 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053161h","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100361","9.057","0.002","19.794","0.003","14.905","0.003","90","","104.157","0.003","90","","2590.8","0.7","113.1","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C37 H26 N2 -","- C37 H26 N2 -","- C148 H104 N8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053161h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100362","17.833","0.004","9.664","0.002","20.097","0.004","90","","104.716","0.004","90","","3349.8","1.3","173","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 F6 S2 Si2 -","- C32 H32 F6 S2 Si2 -","- C128 H128 F24 S8 Si8 -","4","1","","Dr. Naoki Tanifuji; Prof. Kenji Matsuda; Prof. Masahiro. Irie","Regulation of the Photoreactivity and Switching of the Magnetic Interaction in Diarylethenes with 2,5-Bis(arylethynyl) -3-thienyl Group and Nitroxide Radical","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100363","10.539","0.002","12.555","0.003","16.466","0.003","83.57","0.03","80.09","0.03","82.23","0.03","2117.7","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H53 Cl2 N8 Na O5 S -","- C39 H53 Cl2 N8 Na O5 S -","- C78 H106 Cl4 N16 Na2 O10 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100364","11.074","0.002","14.812","0.003","18.825","0.004","90","","90","","90","","3087.8","1.1","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H48 N8 Na2 -","- C24 H48 N8 Na2 -","- C96 H192 N32 Na8 -","4","0.5","","Mikhail Y. Redko; James E. Jackson; Rui H. Huang; James L. Dye","Design and Synthesis of a Thermally Stable Organic Electride","Journal of the American Chemical Society","2005","127","","12416","12422","","","","","","","","","","","","","","","","","","","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4100365","10.703","0.002","14.608","0.003","18.606","0.004","90","","90","","90","","2909.1","1","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H48 N8 Na -","- C24 H48 N8 Na -","- C96 H192 N32 Na4 -","4","0.5","","Mikhail Y. Redko; James E. Jackson; Rui H. Huang; James L. Dye","Design and Synthesis of a Thermally Stable Organic Electride","Journal of the American Chemical Society","2005","127","","12416","12422","","","","","","","","","","","","","","","","","","","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4100366","18.149","0.004","20.315","0.004","27.882","0.006","90","","90","","90","","10280","4","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C48 H96 N16 -","- C48 H96 N16 -","- C384 H768 N128 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100367","14.494","0.003","10.669","0.002","18.43","0.004","90","","90.04","0.03","90","","2850","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 Cl N8 Na O4 -","- C24 H48 Cl N8 Na O4 -","- C96 H192 Cl4 N32 Na4 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100368","15.3043","0.0004","25.3617","0.0007","27.7091","0.0008","90","","90","","90","","10755.1","0.5","90","2","90","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","germane","","","- C30 H40 Ge -","- C30 H40 Ge -","- C480 H640 Ge16 -","16","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100369","8.1162","0.0002","12.8118","0.0005","24.325","0.0007","90","","90","","90","","2529.39","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O6 S -","- C28 H29 N O6 S -","- C112 H116 N4 O24 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100370","12.012","0.0005","6.8002","0.0003","13.1662","0.0005","90","","115.748","0.003","90","","968.69","0.07","253","2","253","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Diepoxide 6","","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","1","","Katsuhiko Tomooka","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053347g","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100371","20.363","0.002","19.4145","0.0019","13.8696","0.0013","90","","94.4","0.002","90","","5466.9","0.9","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 Fe2 N8 Ru2 -","- C60 H62 Fe2 N8 Ru2 -","- C240 H248 Fe8 N32 Ru8 -","4","1","","Ren, Tong","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100372","10.9105","0.0005","16.6264","0.0008","18.1033","0.0009","94.677","0.001","105.625","0.001","109.074","0.001","2936.7","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H68 Fe2 N8 Ru2 -","- C64.802 H62 Fe2 N8 Ru2 -","- C129.604 H124 Fe4 N16 Ru4 -","2","1","","Ren, Tong","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100373","12.2003","0.0006","14.9675","0.0007","18.2981","0.0009","83.358","0.001","74.311","0.001","84.788","0.001","3189.1","0.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H70 Fe2 N8 Ru2 -","- C70.993 H70 Fe2 N8 Ru2 -","- C141.986 H140 Fe4 N16 Ru4 -","2","1","","Ren, Tong","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100374","26.0092","0.0003","26.0092","0.0003","26.0092","0.0003","90","","90","","90","","17594.7","0.4","298","2","298","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C84 H84 Cl5 F6 O3 P7 Ru3 -","- C84 H84 Cl5 F6 O3 P7 Ru3 -","- C672 H672 Cl40 F48 O24 P56 Ru24 -","8","0.333333","","Chen, Yiyun; .; Ho, Douglas M.; .; Lee, Chulbom; .","Ruthenium-Catalyzed Hydrative Cyclization of 1,5-Enynes","Journal of the American Chemical Society","2005","","","","","10.1021/ja053462r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100375","10.603","0.002","19.515","0.004","27.927","0.006","90","","90","","90","","5779","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H81 Cl3 N8 O11 -","- C53 H81 Cl3 N8 O11 -","- C212 H324 Cl12 N32 O44 -","4","1","","Ilia A. Guzei","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100376","14.7536","0.0003","15.8798","0.0003","21.4784","0.0004","75.7066","0.0008","80.667","0.001","69.645","0.001","4555.6","0.2","193","","","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H127 Cl N6 O13 Zn -","- C92 H102 Cl N6 O14 Zn -","- C184 H204 Cl2 N12 O28 Zn2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100377","16.588","0.002","16.697","0.002","22.305","0.002","77.2","0.1","89.8","0.1","63.4","0.1","5354","4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","calix[6]arene 1,3,5, tri-methoxy, 2,4, di-imidazoyl, 6-benzyl tris- terbutyl phenol, zinc complex, hydrate and methanol solvate, perchlorate salt","","","- C99 H146 Cl N5 O17 Zn -","- C99 H146 Cl N5 O17 Zn -","- C198 H292 Cl2 N10 O34 Zn2 -","2","1","","Olivier Seneque; Marie-Noëlle Rager; Michel Giorgi; Thierry Prangé; Alain Tomas; Olivia Reinaud","Biomimetic Zinc Funnel Complexes Based on Calix[6]N3ArO Ligands: an Acid-Base Switch for Guest Binding","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100378","10.3233","0.0006","11.2864","0.0006","31.2034","0.0018","90","","90","","90","","3635.6","0.4","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H40 Co2 N O6 P S -","- C34 H40 Co2 N O6 P S -","- C136 H160 Co8 N4 O24 P4 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100379","10.0274","0.0009","15.5465","0.0014","20.3707","0.0018","69.938","0.002","87.374","0.002","83.796","0.002","2965.3","0.5","173","2","100","2","","","","","","","","4","P -1","-P 1","2","trianthryltriphenylborazine-iPr","","","- C76 H68 B3 N3 -","- C76 H68 B3 N3 -","- C152 H136 B6 N6 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100380","20.4905","0.001","20.4905","0.001","25.5846","0.0017","90","","90","","120","","9302.8","0.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","trianthryltriphenylborazine-CF3","","","- C76.5 H51 B3 F9 N3 -","- C76.49 H51 B3 F9 N3 -","- C458.94 H306 B18 F54 N18 -","6","0.333333","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100381","26.021","0.002","9.986","0.001","16.95","0.002","90","","99.94","0.01","90","","4338.3","0.7","446","2","446","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H48 S2 -","- C60 H48 S2 -","- C240 H192 S8 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100382","13.702","0.004","14.778","0.004","14.861","0.004","118.82","0.03","92.55","0.03","114.21","0.03","2291.5","1.7","446","2","446","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H46 Cl2 S2 -","- C61 H46 Cl2 S2 -","- C122 H92 Cl4 S4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100383","18.38","0.006","24.348","0.008","10.254","0.003","90","","90","","90","","4588.7","2.5","173.1","","","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C47 H71 N O3 Ti -","- C47 H53 N O3 Ti -","- C188 H212 N4 O12 Ti4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053740m","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100384","10.932","0.006","18.807","0.01","22.851","0.012","95.696","0.007","97.034","0.009","96.286","0.006","4604.1","4.1","173.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H68 O3 Ti -","- C50 H68 O3 Ti -","- C200 H272 O12 Ti4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053740m","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100385","15.589","0.004","18.322","0.004","20.355","0.005","90","","93.609","0.004","90","","5802.1","2.4","173.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H92 O6 Zr -","- C62 H86 O6 Zr -","- C248 H344 O24 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053740m","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100386","8.8395","0.0011","10.6587","0.0015","13.4582","0.0019","90","","105.205","0.002","90","","1223.6","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H16 F3 N O -","- C12 H16 F3 N O -","- C48 H64 F12 N4 O4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100387","9.0626","0.0002","22.3248","0.0004","9.9673","0.0001","90","","101.464","0.001","90","","1976.36","0.06","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cl2 N2 O4 -","- C19 H22 Cl2 N2 O4 -","- C76 H88 Cl8 N8 O16 -","4","1","","Michael S. Sherburn; Alan D. Payne; Anthony C. Willis","Practical Synthesis and Diels-Alder Chemistry of [4]Dendralene","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100388","9.6231","0.0002","19.1305","0.0004","12.2601","0.0002","90","","109.799","0.0013","90","","2123.59","0.07","200","","200","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H25 N3 O6 -","- C23 H25 N3 O6 -","- C92 H100 N12 O24 -","4","1","","Michael S. Sherburn; Alan D. Payne; Anthony C. Willis","Practical Synthesis and Diels-Alder Chemistry of [4]Dendralene","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100389","8.0578","0.0001","14.7735","0.0002","24.2902","0.0003","90","","95.4998","0.0009","90","","2878.24","0.06","200","","200","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H24 Cl6 N2 O4 -","- C25 H24 Cl6 N2 O4 -","- C100 H96 Cl24 N8 O16 -","4","1","","Michael S. Sherburn; Alan Payne; Anthony C. Willis","Practical Synthesis and Diels-Alder Chemistry of [4]Dendralene","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100390","9.9338","0.0002","26.1144","0.0004","7.9396","0.0001","90","","90","","90","","2059.65","0.06","200","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H25 N3 O6 -","- C23 H25 N3 O6 -","- C92 H100 N12 O24 -","4","1","","Michael S. Sherburn; Alan D. Payne; Anthony C. Willis","Practical Synthesis and Diels-Alder Chemistry of [4]Dendralene","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100391","13.0062","0.0016","13.7917","0.0017","25.015","0.003","89.6","0.002","75.968","0.002","89.119","0.002","4352.7","0.9","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C78 H152 B3 F12 N4 O2 Rh -","- C78 H152 B3 F12 N4 O2 Rh -","- C156 H304 B6 F24 N8 O4 Rh2 -","2","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100392","8.3325","0.001","15.3628","0.0017","31.061","0.004","90","","90","","90","","3976.1","0.8","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C36 H56 B2 F8 O6 Rh2 -","- C36 H56 B2 F8 O6 Rh2 -","- C144 H224 B8 F32 O24 Rh8 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100393","11.6783","0.0015","18.775","0.003","28.507","0.004","90","","97.76","0.003","90","","6193.2","1.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H90 N4 Zn2 -","- C65 H82 N4 Zn2 -","- C260 H328 N16 Zn8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053819r","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100394","6.8233","0.0009","6.8233","0.0009","14.03","0.003","90","","90","","120","","565.67","0.17","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","zincian paratacamite, syn","","","- Cl2 Cu3.58 H6 O6 Zn0.42 -","- Cl2 Cu3.58 H6 O6 Zn0.42 -","- Cl6 Cu10.74 H18 O18 Zn1.26 -","3","0.0833333","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100395","6.8342","0.0003","6.8342","0.0003","14.032","0.0012","90","","90","","120","","567.58","0.06","130","2","130","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","herbertsmithite, syn","","","- Cl2 Cu3 H6 O6 Zn -","- Cl2 Cu3 H6 O6 Zn -","- Cl6 Cu9 H18 O18 Zn3 -","3","0.0833333","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100396","6.8293","0.0006","6.8293","0.0006","14.024","0.002","90","","90","","120","","566.46","0.12","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Cl2 Cu3 H6 O6 Zn -","- Cl2 Cu3 H6 O6 Zn -","- Cl6 Cu9 H18 O18 Zn3 -","3","0.0833333","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100397","6.8293","0.0006","6.8293","0.0006","14.024","0.002","90","","90","","120","","566.46","0.12","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","zincian paratacamite, syn","","","- Cl2 Cu3.67 H6 O6 Zn0.33 -","- Cl2 Cu3.7 H6 O6 Zn0.3 -","- Cl6 Cu11.1 H18 O18 Zn0.9 -","3","0.0833333","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100400","19.3","0.005","4.7397","0.001","16.127","0.004","90","","102.838","0.007","90","","1438.4","0.6","143","1","143","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H25 Cl O -","- C14 H25 Cl O -","- C56 H100 Cl4 O4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100401","6.8584","0.0003","13.6465","0.0008","21.3782","0.0014","90","","90","","90","","2000.9","0.2","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 I O4 -","- C20 H29 I O4 -","- C80 H116 I4 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100402","6.448","0.001","20.322","0.003","6.7818","0.001","90","","102.779","0.004","90","","866.7","0.2","143","1","143","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H28 O4 -","- C18 H28 O4 -","- C36 H56 O8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100403","6.094","0.006","15.229","0.014","20.355","0.018","90","","90","","90","","1889","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 I O4 -","- C18 H27 I O4 -","- C72 H108 I4 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100404","10.089","0.0013","9.621","0.0012","22.019","0.003","90","","102.17","0.003","90","","2089.3","0.5","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H47 B2 Cl2 F8 O2 P2 Rh -","- C38 H47 B2 Cl2 F8 O2 P2 Rh -","- C76 H94 B4 Cl4 F16 O4 P4 Rh2 -","2","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100405","10.6154","0.0008","15.8025","0.0012","25.0896","0.0019","90","","90","","90","","4208.8","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H45 F12 Ir O2 P2 Sb2 -","- C37 H45 F12 Ir O2 P2 Sb2 -","- C148 H180 F48 Ir4 O8 P8 Sb8 -","4","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100406","13.6002","0.0014","13.6002","0.0014","51.477","0.01","90","","90","","90","","9521","2","100","2","100","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C42 H49 Cl2 F12 O P2 Rh Sb2 -","- C42 H47 Cl2 F12 O P2 Rh Sb2 -","- C336 H376 Cl16 F96 O8 P16 Rh8 Sb16 -","8","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100407","13.6161","0.0003","13.6161","0.0003","51.58","0.002","90","","90","","90","","9562.8","0.5","100","2","100","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C42 H49 Cl2 F12 Ir O P2 Sb2 -","- C42 H47 Cl2 F12 Ir O P2 Sb2 -","- C336 H376 Cl16 F96 Ir8 O8 P16 Sb16 -","8","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100408","13.6029","0.0004","13.6029","0.0004","51.708","0.003","90","","90","","90","","9567.9","0.7","100","2","100","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C42 H50 Cl2 F12 Ir N O P2 Sb2 -","- C42 H48 Cl2 F12 Ir N O P2 Sb2 -","- C336 H384 Cl16 F96 Ir8 N8 O8 P16 Sb16 -","8","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100409","11.3849","0.0008","7.4838","0.0005","13.4086","0.0009","90","","105.204","0.001","90","","1102.46","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H29 Cl N2 O -","- C25 H29 Cl N2 O -","- C50 H58 Cl2 N4 O2 -","2","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100410","13.6725","0.0003","13.6725","0.0003","52.004","0.003","90","","90","","90","","9721.5","0.6","100","2","100","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C43 H50 Cl2 F12 N O P2 Rh Sb2 -","- C43 H50 Cl2 F12 N O P2 Rh Sb2 -","- C344 H400 Cl16 F96 N8 O8 P16 Rh8 Sb16 -","8","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100411","9.6642","0.0001","18.9689","0.0002","17.8475","0.0002","90","","91.317","0.001","90","","3270.93","0.06","120","1","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 Lu N3 Na3 O24 -","- C21 H27 Lu N3 Na3 O24 -","- C84 H108 Lu4 N12 Na12 O96 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100412","9.6914","0.0004","19.1705","0.0008","18.0663","0.0007","90","","91.671","0.003","90","","3355.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 N3 Na3 O24 Y -","- C21 H17 N3 Na3 O24 Y -","- C84 H68 N12 Na12 O96 Y4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100413","15.8453","0.0007","15.8453","0.0007","33.121","0.003","90","","90","","120","","7201.6","0.7","293","2","100","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C36 H52 N8 O15 -","- C36 H52 N8 O15 -","- C216 H312 N48 O90 -","6","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100414","8.0718","0.0016","8.6934","0.0018","12.536","0.003","92.987","0.004","106.117","0.003","112.401","0.003","768.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 Cl2 F3 N O2 -","- C15 H10 Cl2 F3 N O2 -","- C30 H20 Cl4 F6 N2 O4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100415","14.911","0.001","20.1383","0.0014","7.0209","0.0005","90","","90.293","0.001","90","","2108.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36 H42 Ag2 B2 F8 N10 -","- C36 H42 Ag2 B2 F8 N10 -","- C72 H84 Ag4 B4 F16 N20 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100416","14.8307","0.001","20.5641","0.0013","7.0449","0.0005","90","","90.118","0.001","90","","2148.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H36 Ag2 B2 F8 N8 -","- C32 H36 Ag2 B2 F8 N8 -","- C64 H72 Ag4 B4 F16 N16 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100417","11.8734","0.0015","17.225","0.002","22.814","0.003","90.536","0.002","103.247","0.002","108.671","0.002","4285.3","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- H34 K10 Na3 O89 P2 Pd W19 -","- K10 Na3 O89 P2 Pd W19 -","- K20 Na6 O178 P4 Pd2 W38 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100418","11.95","0.0008","17.3589","0.0012","22.9619","0.0016","90.478","0.001","103.281","0.001","108.628","0.001","4375.7","0.5","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- H28 K10 Na3 O89 P2 Pd W19 -","- K10 Na3 O89 P2 Pd W19 -","- K20 Na6 O178 P4 Pd2 W38 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100419","11.9383","0.0016","17.332","0.002","22.94","0.003","90.414","0.003","103.278","0.002","108.585","0.002","4362.1","1","30","2","30","2","","","","","","","","7","P -1","-P 1","2","","","","- H28 K10 Na3 O89 P2 Pd W19 -","- K10 Na3 O89 P2 Pd W19 -","- K20 Na6 O178 P4 Pd2 W38 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100420","17.6882","0.0004","27.3758","0.0007","12.8257","0.0003","90","","100.957","0.001","90","","6097.4","0.3","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C80 H64 Cl4 -","- C80 H64 Cl4 -","- C320 H256 Cl16 -","4","0.5","","Song, Qiuling; .; Lebeis, Christopher W.; .; Shen, Xianfeng; .; Ho, Douglas M.; .; Pascal Jr., Robert A.; .","2,3,10,11,18,19-Hexaphenyl-1,4,9,12,17,20-hexamethylhexa-o-phenylene Dichloromethane Disolvate","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178750","2020-10-21","18:00:00",""
"4100421","31.7079","0.0012","20.3142","0.0008","26.6109","0.001","90","","109.871","0.002","90","","16120.1","1.1","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C210 H147 N7 O14 -","- C168 H112 -","- C672 H448 -","4","1","","Song, Qiuling; .; Lebeis, Christopher W.; .; Shen, Xianfeng; .; Ho, Douglas M.; .; Pascal Jr., Robert A.; .","3^3,3^4,3^5,3^6,6^3,6^4,6^5,6^6,9^3,9^4,9^5,9^6,12^3,12^4,12^5,12^6- Hexadecaphenyl-1,2(1,4),3(1,2),4,5(1,4),6(1,2),7,8(1,4),9(1,2),10,- 11(1,4),12(1,2)-dodecabenzenacyclododecaphane Nitrobenzene Heptasolvate","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100422","11.6499","0.0002","19.9833","0.0003","20.8163","0.0003","90","","95.872","0.001","90","","4820.68","0.13","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C64 H54 O6 -","- C56 H38 O2 -","- C224 H152 O8 -","4","0.5","","Song, Qiuling; .; Lebeis, Christopher W.; .; Shen, Xianfeng; .; Ho, Douglas M.; .; Pascal Jr., Robert A.; .","1,2-Bis[4-(4-formylphenyl)phenyl]-3,4,5,6-tetraphenylbenzene Ethyl Acetate Disolvate","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100423","13.1326","0.0016","5.8396","0.0008","26.555","0.003","90","","91.813","0.004","90","","2035.5","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 I N2 O9 -","- C17 H19 I N2 O9 -","- C68 H76 I4 N8 O36 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4100424","53.617","0.012","7.403","0.0017","6.5735","0.0015","90","","94.259","0.004","90","","2602","1","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H8 F10 O2 S4 -","- C30 H8 F10 O2 S4 -","- C120 H32 F40 O8 S16 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100425","6.0174","0.0008","7.4293","0.001","52.685","0.007","90","","93.137","0.002","90","","2351.8","0.5","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 O2 S4 -","- C30 H18 O2 S4 -","- C120 H72 O8 S16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100426","11.043","0.004","10.218","0.004","16.867","0.006","90","","92.803","0.0013","90","","1901.1","1.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N2 P -","- C24 H19 N2 P -","- C96 H76 N8 P4 -","4","1","","Masaki Yamamura; Naokazu Kano; Takayuki Kawashima","Thermal and Photo-control of the Equilibrium between a Phosphinoazobenzene and an Inner Phosphonium Salt","Journal of the American Chemical Society","2005","","","","","10.1021/ja054293d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100427","11.968","0.009","13.961","0.009","15.856","0.012","92.877","0.016","105.566","0.015","98.843","0.016","2510","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H61 Cl2 N11 O9 -","- C39 H55 Cl2 N11 O7 -","- C78 H110 Cl4 N22 O14 -","2","1","","Kang Sung-Ok; Powell, Douglas; Bowman-James, Kristin","Anion Binding Motifs: Topicity and Charge in Amidocryptands","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100428","15.063","0.005","16.368","0.005","20.627","0.006","95.197","0.008","92.281","0.009","99.878","0.009","4982","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H64 N12 O15 S -","- C39 H61.7855 N11 O14.5 S -","- C156 H247.142 N44 O58 S4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100429","25.422","0.011","20.991","0.009","11.102","0.004","90","","104.961","0.01","90","","5724","4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C49 H79 Cl2 N15 O11 -","- C45 H73 Cl2 N13 O11 -","- C180 H292 Cl8 N52 O44 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100430","13.235","0.004","13.829","0.004","17.234","0.005","79.429","0.006","85.435","0.006","68.223","0.005","2879.2","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H87 N11 O25 -","- C43 H81 N11 O22 -","- C86 H162 N22 O44 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100431","11.2325","0.0006","23.7339","0.0013","28.7821","0.0016","90","","90","","90","","7673","0.7","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C120 H46 Ce2 S6 Si2 -","- C120 H46 Ce2 S6 Si2 -","- C480 H184 Ce8 S24 Si8 -","4","1","","Akasaka, Takeshi","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100432","9.1428","0.0003","9.1428","0.0003","8.2587","0.0006","90","","90","","90","","690.35","0.06","293","","294","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- K O7 Si2 U -","- K O7 Si2 U -","- K4 O28 Si8 U4 -","4","0.25","","Chih-Shan Chen; Shang-Fan Lee; Kwang-Hwa Lii","K(UO)Si2O6: A Pentavalent-Uranium Silicate","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100433","13.893","0.0002","32.511","0.0008","11.792","0.0004","90","","110.68","0.001","90","","4983","0.2","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H84 Ge Li O Si5 -","- C42 H84 Ge Li O Si5 -","- C168 H336 Ge4 Li4 O4 Si20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100434","6.4334","0.0011","13.248","0.002","11.4784","0.0018","90","","98.002","0.004","90","","968.8","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H26 Br N O3 S -","- C15 H26 Br N O3 S -","- C30 H52 Br2 N2 O6 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054401w","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100435","13.712","0.002","23.001","0.004","30.221","0.005","90","","91.006","0.006","90","","9530","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C110 H124 B2 Fe2 N Na O5 P6 -","- C110 H124 B2 Fe2 N Na O5 P6 -","- C440 H496 B8 Fe8 N4 Na4 O20 P24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178750","2020-10-21","18:00:00",""
"4100436","23.519","0.005","13.524","0.003","25.937","0.006","90","","95.178","0.004","90","","8216","3","96","2","96","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H98 B2 Fe2 N O2 P6 -","- C98 H98 B2 Fe2 N O2 P6 -","- C392 H392 B8 Fe8 N4 O8 P24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100437","5.1796","0.0009","15.931","0.003","7.7324","0.0012","90","","90.41","0.003","90","","638.04","0.18","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C28 H36 O8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054503m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100438","5.2384","0.001","13.518","0.003","13.72","0.003","90","","90","","90","","971.5","0.3","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054503m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100439","5.0429","0.0007","9.789","0.0013","33.327","0.005","90","","90","","90","","1645.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br O5 -","- C18 H15 Br O5 -","- C72 H60 Br4 O20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054503m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100440","11.743","0.002","8.1468","0.0015","16.04","0.003","90","","94.742","0.004","90","","1529.3","0.5","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15.5 H19 Cl O5 -","- C15.5 H19 Cl O5 -","- C62 H76 Cl4 O20 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054503m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100441","5.4579","0.0015","18.473","0.006","9.635","0.003","90","","104.069","0.004","90","","942.3","0.5","193","2","193","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054503m","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100442","15.666","0.0016","14.2237","0.0015","11.4188","0.0012","90","","102.645","0.002","90","","2482.7","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N2 O3 -","- C30 H30 N2 O3 -","- C120 H120 N8 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100443","15.7191","0.0007","15.8526","0.0007","12.402","0.0006","90","","110.888","0.001","90","","2887.3","0.2","218","2","218","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N4 O6 Pd2 -","- C30 H28 N4 O6 Pd2 -","- C120 H112 N16 O24 Pd8 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100444","13.9833","0.0015","27.405","0.003","27.411","0.003","104.281","0.002","94.969","0.002","101.353","0.002","9878.8","1.8","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C147.5 H185.5 Cl34.5 F18 N3 O30 P3 -","- C142 H180 Cl18 F18 N3 O30 P3 -","- C284 H360 Cl36 F36 N6 O60 P6 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100445","10.3817","0.0015","20.576","0.003","8.7912","0.0013","90","","101.985","0.003","90","","1837","0.5","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 -","- C25 H22 -","- C100 H88 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100446","13.4641","0.0013","11.2411","0.0011","14.4956","0.0014","90","","99.602","0.002","90","","2163.2","0.4","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 -","- C30 H24 -","- C120 H96 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100447","18.7703","0.0015","11.8068","0.0009","21.5849","0.0015","90","","108.256","0.007","90","","4542.8","0.6","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H45 O2 P3 Ru -","- C56 H45 O2 P3 Ru -","- C224 H180 O8 P12 Ru4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100448","12.329","0.0013","12.731","0.0014","14.5591","0.0016","83.334","0.013","65.932","0.012","66.29","0.011","1907.3","0.4","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H42 N O2 P3 Ru -","- C43 H42 N O2 P3 Ru -","- C86 H84 N2 O4 P6 Ru2 -","2","1","","Guy Lavigne et al.","Instant base-promoted"" generation of Roper's type Ru(0) complexes...","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100449","13.6063","0.0015","15.7331","0.001","19.9643","0.0018","90","","102.34","0.012","90","","4175","0.7","180","2","180","2","","","","","","","","6","P 21/n","-P 2yn","14","","","","- C48 H45 N2 O2 P3 Ru -","- C48 H45 N2 O2 P3 Ru -","- C192 H180 N8 O8 P12 Ru4 -","4","","","Lavigne, G.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","34330","2020-10-21","18:00:00",""
"4100450","38.406","0.002","10.1745","0.0006","23.4954","0.0011","90","","107.838","0.005","90","","8739.8","0.8","180","2","180","2","","","","","","","","6","C 2/c","-C 2yc","15","","","","- C47 H48 O3 P2 Ru Si -","- C47 H48 O3 P2 Ru Si -","- C376 H384 O24 P16 Ru8 Si8 -","8","","","Lavigne, G.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","34330","2020-10-21","18:00:00",""
"4100451","5.946","0.0003","11.5541","0.0007","12.6351","0.0009","96.432","0.003","95.564","0.004","103.692","0.002","831.18","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C17.5 H17 Cl N2 O3 S -","- C17.5 H17 Cl N2 O3 S -","- C35 H34 Cl2 N4 O6 S2 -","2","1","","Streuff, Jan; Hövelmann, Claas H.; Nieger, Martin; Muniz, Kilian","Palladium-Catalyzed Intramolecular Diamination of Unfunctionalized Alkenes","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100452","32.672","0.006","10.77","0.002","15.855","0.003","90","","116.19","0.03","90","","5006.2","1.6","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H42 Cl N2 O P Ru -","- C22.5 H42 Cl N2 O P Ru -","- C180 H336 Cl8 N16 O8 P8 Ru8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052862b","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100453","10.3337","0.0005","11.6537","0.0006","14.5004","0.0007","70.113","0.002","75.377","0.002","80.004","0.002","1581.5","0.14","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Ar*2Fe","","","- C72 H98 Fe S2 -","- C72 H98 Fe S2 -","- C72 H98 Fe S2 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042958q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100454","10.3845","0.0015","11.6674","0.0017","14.568","0.002","69.444","0.011","75.886","0.011","80.284","0.012","1596","0.4","130","2","130","2","","","","","","","","4","P -1","-P 1","2","(Bert*S)2Mn","","","- C72 H98 Mn S2 -","- C72 H98 Mn S2 -","- C72 H98 Mn S2 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042958q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100455","10.38","0.0015","11.5353","0.0017","14.359","0.002","72.834","0.005","83.944","0.004","78.82","0.003","1609.4","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","(Ar*S)2Cr","","","- C72 H98 Cr S2 -","- C72 H98 Cr S2 -","- C72 H98 Cr S2 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042958q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100456","10.212","0.004","11.828","0.005","14.54","0.006","70.942","0.007","83.534","0.008","80.246","0.008","1632.8","1.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","(Ar*S)~2~Zn","","","- C72 H98 S2 Zn -","- C72 H98 S2 Zn -","- C72 H98 S2 Zn -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042958q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100457","11.665","0.003","16.711","0.003","18.263","0.004","103.453","0.006","106.382","0.011","99.023","0.006","3226","1.2","91","2","91","2","","","","","","","","4","P -1","-P 1","2","(Bert*S2)Co","","","- C72 H98 Co S2 -","- C72 H98 Co S2 -","- C144 H196 Co2 S4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042958q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100458","14.887","0.009","29.093","0.018","22.814","0.01","90","","130.73","0.02","90","","7488","7","91","2","91","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Ar*S)2Ni.2PhMe","","","- C86 H114 Ni S2 -","- C86 H114 Ni S2 -","- C344 H456 Ni4 S8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042958q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100459","10.6403","0.0013","19.65","0.003","17.091","0.002","90","","94.803","0.002","90","","3560.9","0.8","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H22 Al F15 Zr -","- C40 H22 Al F15 Zr -","- C160 H88 Al4 F60 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0429622","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100460","9.921","0.003","18.683","0.003","14.218","0.003","90","","101.4","0.02","90","","2583.3","1","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 N3 O4 -","- C30 H27 N3 O4 -","- C120 H108 N12 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0455291","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100461","14.883","0.006","13.509","0.004","20.809","0.009","90","","92.07","0.04","90","","4180","2","93.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Cl8 N4 O5 -","- C40 H34 Cl8 N4 O5 -","- C160 H136 Cl32 N16 O20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0455291","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100462","11.819","0.002","13.49","0.002","15.6589","0.0009","106.26","0.01","106.353","0.01","100.402","0.005","2206.7","0.5","113.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H49 N5 O8 -","- C50 H49 N5 O8 -","- C100 H98 N10 O16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0455291","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100463","10.704","0.003","11.993","0.003","13.714","0.003","87.72","0.02","87.36","0.02","85.13","0.02","1751.2","0.8","93.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H38 N4 O8 -","- C40 H38 N4 O8 -","- C80 H76 N8 O16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0455291","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100464","12.1433","0.0007","12.3153","0.0007","15.6682","0.0009","82.247","0.001","86.606","0.001","81.976","0.001","2297.1","0.2","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C70 F30 -","- C70 F30 -","- C140 F60 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050305j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100465","20.65","0.003","27.279","0.0016","19.546","0.003","90","","91.404","0.005","90","","11007","2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C156 H117 K O9 -","- C156 H117 K O9 -","- C624 H468 K4 O36 -","4","1","","Matsuo, Yutaka; Nakamura, Eiichi","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050318x","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100466","15.777","0.005","17.554","0.005","21.761","0.005","81.86","0.005","72.851","0.005","77.342","0.005","5600","3","153","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C159 H124 K2 O9 -","- C159 H120 K2 O9 -","- C318 H240 K4 O18 -","2","1","","Matsuo, Y.; Nakamura, E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050318x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100467","9.3455","0.0006","11.4513","0.0008","14.9049","0.0008","90","","99.072","0.002","90","","1575.1","0.2","263.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0508323","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100468","8.6118","0.0006","8.2267","0.0005","22.13","0.001","90","","97.9041","0.0006","90","","1553","0.2","296.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0508323","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100469","33.417","0.002","33.417","0.002","12.6691","0.0018","90","","90","","90","","14148","2","90","2","90","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C72 H98 B4 N4 O8 -","- C72 H98 B4 N4 O8 -","- C576 H784 B32 N32 O64 -","8","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051073r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178750","2020-10-21","18:00:00",""
"4100470","9.209","0.0005","14.712","0.0008","12.5178","0.0006","90","","109.01","0.03","90","","1603.42","0.15","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H13 Cl2 Fe2 N O11 -","- C6 H13 Cl2 Fe2 N O11 -","- C24 H52 Cl8 Fe8 N4 O44 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100471","14.754","0.003","23.596","0.004","9.273","0.0017","90","","90","","90","","3228.2","1","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C6 H13 Cl2 Fe2 N O11 -","- C6 Cl2 Fe2 N O11 -","- C48 Cl16 Fe16 N8 O88 -","8","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100472","11.1633","0.0018","10.7657","0.0018","13.605","0.002","90","","90.146","0.003","90","","1635","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 N2 O4 -","- C42 H36 N2 O4 -","- C84 H72 N4 O8 -","2","0.5","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512172","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100473","16.1429","0.0017","16.8733","0.0018","17.309","0.0019","89.578","0.002","89.332","0.002","88.507","0.002","4712.7","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C112 H108 Fe2 N4 O12 -","- C112 H108 Fe2 N4 O12 -","- C224 H216 Fe4 N8 O24 -","2","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512531","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100474","14.624","0.003","16.815","0.003","19","0.004","101.087","0.004","108.835","0.004","96.944","0.004","4254.2","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C92.5 H66 Cl9 F8 Fe2 N4 O8 -","- C92.5 H64 Cl9 F8 Fe2 N4 O8 -","- C185 H128 Cl18 F16 Fe4 N8 O16 -","2","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512531","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100475","15.623","0.017","16.588","0.018","16.961","0.018","63.993","0.018","88.56","0.02","72.31","0.02","3733","7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C156 H136 Cl14 Fe6 N8 O20 -","- C156 H136 Cl14 Fe6 N8 O20 -","- C156 H136 Cl14 Fe6 N8 O20 -","1","0.5","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512531","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100476","10.4297","0.0019","13.26","0.002","14.204","0.003","110.408","0.003","99.903","0.003","96.652","0.003","1780.5","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H56 F8 Fe2 N4 O10 -","- C88 H56 F8 Fe2 N4 O10 -","- C88 H56 F8 Fe2 N4 O10 -","1","0.5","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512531","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100477","10.501","0.003","13.256","0.004","15.364","0.004","112.975","0.004","100.074","0.004","94.916","0.004","1910.4","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H80 Fe2 N4 O10 -","- C96 H80 Fe2 N4 O10 -","- C96 H80 Fe2 N4 O10 -","1","0.5","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512531","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100478","16.155","0.003","17.578","0.003","23.105","0.004","92.951","0.003","91.752","0.003","94.955","0.003","6524.2","1.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C142 H122 Cl8 Fe2 N4 O14 -","- C142 H122 Cl8 Fe2 N4 O14 -","- C284 H244 Cl16 Fe4 N8 O28 -","2","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512531","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100479","17.422","0.001","14.772","0.0013","36.703","0.002","90","","101.969","0.004","90","","9240.4","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C95 H108 Fe4 N0 O19 -","- C95 H108 Fe4 O19 -","- C380 H432 Fe16 O76 -","4","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512531","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100480","26.815","0.0015","26.815","0.0015","23.7356","0.0018","90","","90","","120","","14780.4","1.6","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C83 H128 Cl2 N4 O17.33 Zn -","- C83 H128 Cl1.96433 N4 O17.1907 Zn -","- C498 H768 Cl11.786 N24 O103.144 Zn6 -","6","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051299u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100481","8.9046","0.0005","17.4366","0.001","20.8837","0.0012","92.292","0.001","92.525","0.001","92.968","0.001","3232.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H58 Ir N P2 -","- C32 H58 Ir N P2 -","- C128 H232 Ir4 N4 P8 -","4","2","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051300p","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100482","9.3998","0.0007","31.751","0.002","11.3603","0.0008","90","","113.128","0.001","90","","3118","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H56 Ir N P2 -","- C30 H56 Ir N P2 -","- C120 H224 Ir4 N4 P8 -","4","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051300p","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100483","23.2568","0.0017","21.2282","0.0016","14.2049","0.001","90","","123.311","0.001","90","","5860.7","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H52 Ir N P2 -","- C28 H52 Ir N P2 -","- C224 H416 Ir8 N8 P16 -","8","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051300p","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100484","6.3945","0.0016","10.532","0.003","8.707","0.002","90","","102.679","0.005","90","","572.1","0.2","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H21 N O -","- C12 H21 N O -","- C24 H42 N2 O2 -","2","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051330s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100485","18.151","0.004","14.728","0.003","16.064","0.003","90","","96.93","0.03","90","","4263","2","293","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Cu2 N12 O14 -","- C29 H44 Cu2 N21 O14 -","- C116 H176 Cu8 N84 O56 -","4","1","","M. Jagoda; S. Warzeska; H. Pritzkow; H. Wadepohl; P. Imhof; J. Smith; R. Krämer","Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired Dicopper(II) Macrocyclic Complex","Journal of the American Chemical Society","2005","","","15061","","10.1021/ja051357b","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100486","10.323","0.005","13.178","0.007","31.61","0.02","90","","94.41","0.02","90","","4287","4","293","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 B2 Cu2 F8 N8 O6 -","- C40 H48 B2 Cu2 F8 N8 O6 -","- C160 H192 B8 Cu8 F32 N32 O24 -","4","1","","M. Jagoda; S. Warzeska; H. Pritzkow; H. Wadepohl; P. Imhof; J. Smith; R. Krämer","Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired Dicopper(II) Macrocyclic Complex","Journal of the American Chemical Society","2005","","","15061","","10.1021/ja051357b","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100487","14.5986","0.0016","20.862","0.002","28.726","0.003","90","","90","","90","","8748.7","1.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H48 Cu2 N11 O15 P -","- C39 H46 Cu2 N11 O15 P -","- C312 H368 Cu16 N88 O120 P8 -","8","1","","M. Jagoda; S. Warzeska; H. Pritzkow; H. Wadepohl; P. Imhof; J. Smith; R. Krämer","Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired Dicopper(II) Macrocyclic Complex","Journal of the American Chemical Society","2005","","","15061","","10.1021/ja051357b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100488","18.8716","0.001","18.4126","0.0009","14.8895","0.0008","90","","90","","90","","5173.7","0.5","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C44 H52 Cl3 Cu3 N11 O15 -","- C44 H53 Cl3 Cu3 N11 O15 -","- C176 H212 Cl12 Cu12 N44 O60 -","4","0.5","","M. Jagoda; S. Warzeska; H. Pritzkow; H. Wadepohl; P. Imhof; J. Smith; R. Krämer","Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired Dicopper(II) Macrocyclic Complex","Journal of the American Chemical Society","2005","","","15061","","10.1021/ja051357b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100489","9.869","0.004","13.787","0.006","29.042","0.012","90","","97.765","0.007","90","","3915","3","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 Fe2 N2 O3 P2 S2 -","- C43 H34 Fe2 N2 O3 P2 S2 -","- C172 H136 Fe8 N8 O12 P8 S8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051584d","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100490","9.8843","0.0003","12.807","0.0004","16.246","0.0005","90","","90","","90","","2056.55","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br2 N3 O3 -","- C20 H17 Br2 N3 O3 -","- C80 H68 Br8 N12 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051650b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100491","8.3448","0.0007","8.2704","0.0007","10.2329","0.0009","90","","110.033","0.001","90","","663.5","0.1","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O5 -","- C14 H18 O5 -","- C28 H36 O10 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051745d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100492","8.5029","0.0007","16.5521","0.0014","9.2757","0.0008","90","","92.45","0.002","90","","1304.3","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O5 -","- C14 H18 O5 -","- C56 H72 O20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051745d","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100493","10.631","0.003","6.5388","0.0017","15.525","0.004","90","","101.755","0.004","90","","1056.5","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051745d","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100494","15.8683","0.001","11.002","0.002","26.673","0.003","90","","90","","90","","4656.5","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H23 O P -","- C32 H23 O P -","- C256 H184 O8 P8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100495","9.668","0.0006","18.5565","0.0014","13.8635","0.0017","90","","104.847","0.008","90","","2404.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 O2 -","- C33 H24 O2 -","- C132 H96 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178750","2020-10-21","18:00:00",""
"4100496","13.085","0.002","11.329","0.002","13.562","0.003","90","","109.002","0.014","90","","1900.7","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 O2 -","- C25 H22 O2 -","- C100 H88 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100497","8.7697","0.0009","9.8373","0.0007","18.649","0.002","97.78","0.006","103.258","0.011","99.454","0.007","1519.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H32 N2 O -","- C40 H32 N2 O -","- C80 H64 N4 O2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100498","10.2408","0.0005","14.2305","0.0008","17.7423","0.0013","90","","101.205","0.009","90","","2536.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 N2 O -","- C34 H28 N2 O -","- C136 H112 N8 O4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100499","10.3635","0.0012","11.9949","0.0017","28.844","0.003","90","","99.327","0.008","90","","3538.2","0.8","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cl2 Cr N O3 -","- C40 H44 Cl2 Cr N O3 -","- C160 H176 Cl8 Cr4 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178750","2020-10-21","18:00:00",""
"4100500","10.0877","0.0014","12.7206","0.0013","15.0052","0.0016","68.125","0.006","71.097","0.008","88.279","0.008","1681.4","0.3","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H43 Cl2 Cr N O3 -","- C38 H43 Cl2 Cr N O3 -","- C76 H86 Cl4 Cr2 N2 O6 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100501","13.1266","0.0011","11.6335","0.0004","23.496","0.002","90","","96.357","0.008","90","","3566","0.4","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Cl Cr N4 O2 -","- C38 H42 Cl Cr N4 O2 -","- C152 H168 Cl4 Cr4 N16 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","0.0491","","","0.1136","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100502","20.824","0.003","9.707","0.002","31.106","0.004","90","","90","","90","","6287.8","1.9","183","2","183","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C37 H29 Cl2 Cr N4 O -","- C37 H29 Cl2 Cr N4 O -","- C296 H232 Cl16 Cr8 N32 O8 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","0.0671","","","0.1491","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100503","10.996","0.002","11.8362","0.0018","19.526","0.003","80.378","0.009","82.022","0.018","69.553","0.019","2338.8","0.7","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H43 Cl2 Cr N6 O -","- C55.995 H42.995 Cl2 Cr N5.999 O -","- C111.99 H85.99 Cl4 Cr2 N11.998 O2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100504","18","0.003","18","0.003","8.0441","0.0016","90","","90","","90","","2606.1","0.7","4","2","4","2","","","","","","","","6","P -4","P -4","81","CoL4","","","- C52 H60 Co N12 O12 S -","- C52 H60 Co N12 O12 S -","- C104 H120 Co2 N24 O24 S2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100505","18.07","0.003","18.07","0.003","8.0756","0.0016","90","","90","","90","","2636.9","0.7","120","2","120","2","","","","","","","","6","P -4","P -4","81","CoL4","","","- C52 H60 Co N12 O12 S -","- C52 H60 Co N12 O12 S -","- C104 H120 Co2 N24 O24 S2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100506","18.188","0.003","18.188","0.003","8.1281","0.0016","90","","90","","90","","2688.7","0.8","288","2","288","2","","","","","","","","6","P 4/n :2","-P 4a","85","CoL4","","","- C52 H60 Co N12 O12 S -","- C52 H60 Co N12 O12 S -","- C104 H120 Co2 N24 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100507","17.958","0.003","17.958","0.003","8.0826","0.0016","90","","90","","90","","2606.6","0.7","4","2","4","2","","","","","","","","6","P 4/n :2","-P 4a","85","NiL4","","","- C52 H60 N12 Ni O12 S -","- C52 H60 N12 Ni O12 S -","- C104 H120 N24 Ni2 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100508","18.028","0.003","18.028","0.003","8.1143","0.0016","90","","90","","90","","2637.2","0.7","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","NiL4","","","- C52 H60 N12 Ni O12 S -","- C52 H60 N12 Ni O12 S -","- C104 H120 N24 Ni2 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100509","18.0055","0.0005","18.0055","0.0005","8.0891","0.0003","90","","90","","90","","2622.47","0.14","4","2","4","2","","","","","","","","6","P 4/n :2","-P 4a","85","Zn_4K_p4n","","","- C52 H60 N12 O12 S Zn -","- C52 H60 N12 O12 S Zn -","- C104 H120 N24 O24 S2 Zn2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100510","18.076","0.0005","18.076","0.0005","8.1208","0.0003","90","","90","","90","","2653.41","0.14","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","Zn_120K_P4n","","","- C52 H60 N12 O12 S Zn -","- C52 H60 N12 O12 S Zn -","- C104 H120 N24 O24 S2 Zn2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100511","18.124","0.0006","18.124","0.0006","8.1865","0.0003","90","","90","","90","","2689.1","0.16","296","2","296","2","","","","","","","","6","P 4/n :2","-P 4a","85","ZnL4 D19","","","- C52 H60 N12 O12 S Zn -","- C52 H60 N12 O12 S Zn -","- C104 H120 N24 O24 S2 Zn2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100512","18.084","0.003","18.084","0.003","8.054","0.002","90","","90","","90","","2633.9","0.9","30","2","30","2","","","","","","","","6","P -4","P -4","81","CoTUP","","","- C52 H60 Co N12 O12 S -","- C52 H60 Co N12 O12 S -","- C104 H120 Co2 N24 O24 S2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100513","18.07","0.003","18.07","0.003","8.0756","0.0016","90","","90","","90","","2636.9","0.7","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C52 H60 Co N12 O12 S -","- C52 H60 Co N12 O12 S -","- C104 H120 Co2 N24 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100514","18.028","0.003","18.028","0.003","8.1143","0.0016","90","","90","","90","","2637.3","0.7","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C52 H60 N12 Ni O12 S -","- C52 H60 N12 Ni O12 S -","- C104 H120 N24 Ni2 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100515","17.846","0.003","17.846","0.003","8.3019","0.0017","90","","90","","90","","2644","0.8","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C52 H60 Cu N12 O12 S -","- C52 H60 Cu N12 O12 S -","- C104 H120 Cu2 N24 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100516","18.076","0.0005","18.076","0.0005","8.1208","0.0003","90","","90","","90","","2653.41","0.14","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C52 H60 N12 O12 S Zn -","- C52 H60 N12 O12 S Zn -","- C104 H120 N24 O24 S2 Zn2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100517","8.8381","0.001","18.5394","0.0019","26.865","0.003","90","","90","","90","","4401.9","0.8","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H54 N2 O7 S Si -","- C48 H54 N2 O7 S Si -","- C192 H216 N8 O28 S4 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052151d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100518","16.301","0.002","20.044","0.003","27.789","0.004","90","","95.832","0.003","90","","9033","2","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H109 Fe3 N2 Ni O1.5 P S13 -","- C76 H75 Fe3 N2 Ni O1.5 P S13 -","- C304 H300 Fe12 N8 Ni4 O6 P4 S52 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052381s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100519","18.258","0.003","18.942","0.004","27.283","0.004","78.38","0.019","88.961","0.011","81.981","0.013","9152","3","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C76.5 H101.25 Fe3 N3.25 O0.25 P2 Pd S13 -","- C76.505 H100.5 Fe3 N3.25 O0.25 P2 Pd S13 -","- C306.02 H402 Fe12 N13 O P8 Pd4 S52 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052381s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100520","18.256","0.004","19.011","0.005","27.376","0.008","78.797","0.014","89.16","0.04","81.827","0.016","9225","4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H111.5 Fe3 N3.5 P2 Pt S13 -","- C76 H99 Fe3 N3.5 P2 Pt S13 -","- C304 H396 Fe12 N14 P8 Pt4 S52 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052381s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100521","23.945","0.004","34.261","0.006","22.48","0.004","90","","111.899","0.004","90","","17111","5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H101 Fe4 N5 S14 -","- C75 H93 Fe4 N5 S14 -","- C600 H744 Fe32 N40 S112 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052381s","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100522","12.847","0.003","13.073","0.003","29.484","0.006","87.695","0.004","83.999","0.004","62.947","0.004","4385.6","1.6","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H100.5 Fe4 N2.5 O P S14 -","- C82 H99 Fe4 N2.5 O P S14 -","- C164 H198 Fe8 N5 O2 P2 S28 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052381s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100523","9.32","0.002","19.38","0.004","8.096","0.0018","90","","90","","90","","1462.3","0.6","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H10 B F4 Mn O3 -","- C15 H10 B F4 Mn O3 -","- C60 H40 B4 F16 Mn4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100524","9.6434","0.0014","15.0779","0.0017","12.3093","0.0019","90","","90.289","0.012","90","","1789.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Mn2 O5 -","- C21 H16 Mn2 O5 -","- C84 H64 Mn8 O20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100525","12.956","0.003","7.105","0.002","8.327","0.002","90","","90","","90","","766.6","0.3","298","2","298","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C17 H12 Mn2 O5 -","- C17 H12 Mn2 O5 -","- C34 H24 Mn4 O10 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","0.0489","","","0.125","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100526","7.4875","0.0011","11.8536","0.0012","17.787","0.002","90","","90.785","0.01","90","","1578.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Fe Mn O3 -","- C18 H13 Fe Mn O3 -","- C72 H52 Fe4 Mn4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","0.0475","","","0.0973","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100527","12.412","0.003","8.07","0.003","17.78","0.004","90","","102.15","0.02","90","","1741","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Mn2 O6 -","- C18 H12 Mn2 O6 -","- C72 H48 Mn8 O24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","0.0534","","","0.1204","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100528","8.4388","0.001","10.3101","0.0015","15.789","0.002","90.064","0.013","93.306","0.01","111.463","0.01","1276","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 Mn2 O8 P -","- C23 H27 Mn2 O8 P -","- C46 H54 Mn4 O16 P2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","0.0501","","","0.1236","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100529","17.4257","0.001","7.8816","0.0005","11.0119","0.0006","90","","90","","90","","1512.4","0.15","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H8 B F4 Mn O3 -","- C15 H8 B F4 Mn O3 -","- C60 H32 B4 F16 Mn4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100530","10.5826","0.0007","18.6465","0.0012","17.0073","0.0011","90","","98.474","0.001","90","","3319.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H20 B2 F8 Mn2 O6 -","- C38 H20 B2 F8 Mn2 O6 -","- C152 H80 B8 F32 Mn8 O24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100531","14.636","0.005","25.02","0.009","15.322","0.005","90","","90","","90","","5611","3","90","2","90","2","","","","","","","","7","C m c 21","C 2c -2","36","2{[(μ3-S)(AuCNC6H11)3](PF6)}","","","- C21 H33 Au3 F6 N3 P S -","- C21 H33 Au3 F6 N3 P S -","- C168 H264 Au24 F48 N24 P8 S8 -","8","1","","Gussenhoven, Emily M.; Fettinger, James C.; Pham, David M.; Malwitz, Mark A.; Balch, Alan L.","A Reversible Polymorphic Phase Change Which Affects the Luminescence and Aurophilic Interactions in the Gold(I) Cluster Complex, [μ~3~-S(AuCNC~7~H~13~)~3~](SbF~6~)","Journal of the American Chemical Society","2005","127","31","10838","10839","10.1021/ja052799q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","264766","2021-05-03","09:48:25",""
"4100532","15.1136","0.0008","26.613","0.0014","15.988","0.0009","90","","90","","90","","6430.7","0.6","190","2","190","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C24 H39 Au3 F6 N3 S Sb -","- C24 H39 Au3 F6 N3 S Sb -","- C192 H312 Au24 F48 N24 S8 Sb8 -","8","1","","Gussenhoven, Emily M.; Fettinger, James C.; Pham, David M.; Malwitz, Mark A.; Balch, Alan L.","A Reversible Polymorphic Phase Change Which Affects the Luminescence and Aurophilic Interactions in the Gold(I) Cluster Complex, [μ~3~-S(AuCNC~7~H~13~)~3~](SbF~6~)","Journal of the American Chemical Society","2005","127","31","10838","10839","10.1021/ja052799q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","264766","2021-05-03","09:48:25",""
"4100533","14.9353","0.0011","15.7717","0.0012","26.457","0.002","90","","91.1412","0.0014","90","","6231","0.8","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H39 Au3 F6 N3 S Sb -","- C24 H39 Au3 F6 N3 S Sb -","- C192 H312 Au24 F48 N24 S8 Sb8 -","8","4","","Gussenhoven, Emily M.; Fettinger, James C.; Pham, David M.; Malwitz, Mark A.; Balch, Alan L.","A Reversible Polymorphic Phase Change Which Affects the Luminescence and Aurophilic Interactions in the Gold(I) Cluster Complex, [μ~3~-S(AuCNC~7~H~13~)~3~](SbF~6~)","Journal of the American Chemical Society","2005","127","31","10838","10839","10.1021/ja052799q","","","","","","","","","","","","","","","","","","","","","has coordinates","264766","2021-05-03","09:48:25",""
"4100535","10.1218","0.0016","17.502","0.003","18.76","0.003","108.138","0.003","98.883","0.003","106.553","0.003","2917.5","0.8","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C50 H70 N8 O12 S4 -","- C50 H70 N8 O12 S4 -","- C100 H140 N16 O24 S8 -","2","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0529337","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100536","39.028","0.008","7.6664","0.0015","15.523","0.003","90","","96.35","0.03","90","","4615.9","1.6","273","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H45 N7 O15 S3 -","- C34 H43 N7 O15 S3 -","- C136 H172 N28 O60 S12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0529337","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100537","8.6821","0.0008","10.7405","0.001","24.115","0.002","90","","90","","90","","2248.7","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 N2 O6 S -","- C19 H30 N2 O6 S -","- C76 H120 N8 O24 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0529337","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100538","12.524","0.0019","15.788","0.002","30.928","0.005","90","","90","","90","","6115.4","1.6","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H51 N O2 P2 Ru Si2 -","- C24 H51 N O2 P2 Ru Si2 -","- C192 H408 N8 O16 P16 Ru8 Si16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052973a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100539","12.3817","0.0008","11.1746","0.0007","30.4532","0.0019","90","","100.81","0.001","90","","4138.7","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H60 B2 Cl2 F8 O2 Os P2 -","- C34 H60 B2 Cl2 F8 O2 Os P2 -","- C136 H240 B8 Cl8 F32 O8 Os4 P8 -","4","1","","Bolaño, T.; Castarlenas, R.; Esteruelas, M. A.; Modrego, J.; Oñate, E.","Hydride-Alkenycarbyne to Alkenylcarbene Transformation in Bisphosphine-Osmium Complexes","Journal of the American Chemical Society","2005","","","","","10.1021/ja053186g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100540","18.2946","0.0017","10.9593","0.001","21.991","0.002","90","","92.074","0.002","90","","4406.2","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 B2 F8 N3 Os P2 -","- C39 H63 B2 F8 N3 Os P2 -","- C156 H252 B8 F32 N12 Os4 P8 -","4","1","","Bolaño, T.; Castarlenas, R.; Esteruelas, M. A.; Modrego, J.; Oñate, E.","Hydride-Alkenycarbyne to Alkenylcarbene Transformation in Bisphosphine-Osmium Complexes","Journal of the American Chemical Society","2005","","","","","10.1021/ja053186g","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100541","10.5144","0.0007","20.9994","0.0013","13.8029","0.0008","90","","111.103","0.001","90","","2843.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Fe N2 O4 -","- C36 H32 Fe N2 O4 -","- C144 H128 Fe4 N8 O16 -","4","1","","Bolaño, T.; Castarlenas, R.; Esteruelas, M. A.; Modrego, J.; Oñate, E.","Hydride-Alkenycarbyne to Alkenylcarbene Transformation in Bisphosphine-Osmium Complexes","Journal of the American Chemical Society","2005","","","","","10.1021/ja053408a","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100542","19.35","0.03","5.11","0.007","6.988","0.01","90","","90","","90","","691.1","1.7","121.1","","","","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C6 H20 Br3 N4 Ni -","- C6 H24 Br3 N4 Ni -","- C12 H48 Br6 N8 Ni2 -","2","0.25","","Mari Sasaki; Shinya Takaishi; Hitoshi Miyasaka; Ken-ichi Sugiura; Masahiro Yamashita","Novel Quasi-One-Dimensional Halogen-Bridged PtII-PtIV Mixed-Valence Compounds with Magnetic Counter-anions, {[Pt(en)2][PtX2(en)2]}3{(MX5)X3}2 12H2O (M=Co2+, Mn2+, and Fe2+; X=Cl- and Br-)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100543","20.8","0.03","5.136","0.006","7.102","0.009","90","","101.33","0.02","90","","744","1.6","121.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Br3 N4 Ni -","- C8 H24 Br3 N4 Ni -","- C16 H48 Br6 N8 Ni2 -","2","0.5","","Mari Sasaki; Shinya Takaishi; Hitoshi Miyasaka; Ken-ichi Sugiura; Masahiro Yamashita","Direct Observation of Real Disorder of Methyl Group of (R)-1,2-Diaminopropane Ligand in Quasi-1D Bromo-Bridged Ni(III) Complex by STM","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100544","5.6585","0.0006","7.9422","0.0008","26.129","0.003","90","","90","","90","","1174.3","0.2","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C48 H64 N8 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100545","11.647","0.003","11.647","0.003","26.381","0.008","90","","90","","90","","3578.5","1.5","213","2","213","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C44 H32 Cl2 Ni P2 -","- C44 H32 Cl2 Ni P2 -","- C176 H128 Cl8 Ni4 P8 -","4","0.5","","Evans, David A.; Thomson, Regan J.","Ni(II) Tol-BINAP-Catalyzed Enantioselective Orthoester Alkylations of N-Acylthiazolidinethiones","Journal of the American Chemical Society","2005","127","30","10506","10507","10.1021/ja053386s","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100546","13.6928","0.0008","15.6738","0.0009","22.562","0.0013","104.489","0.001","98.279","0.001","102.292","0.001","4480","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H30 Ag15 F33 N6 O22 -","- C56 H30 Ag15 F33 N6 O22 -","- C112 H60 Ag30 F66 N12 O44 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100547","8.6188","0.0009","39.546","0.004","13.9061","0.0014","90","","100.988","0.002","90","","4652.8","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H13 Ag8 B0 F18 N3 O14.5 -","- C28 H13 Ag8 F18 N3 O14.5 -","- C112 H52 Ag32 F72 N12 O58 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100548","11.6882","0.0008","13.7871","0.0009","32.499","0.002","90","","97.748","0.001","90","","5189.3","0.6","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C62 H18 Ag20 F42 N2 O37 -","- C62 H18 Ag19.996 F42 N2 O37 -","- C124 H36 Ag39.992 F84 N4 O74 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100549","6.575","0.004","34.86","0.02","6.896","0.004","90","","96.31","0.016","90","","1571","1.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100550","12.865","0.004","10.424","0.003","29.519","0.008","90","","99.343","0.005","90","","3906.1","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 F2 P3 Rh -","- C48 H40 F2 P3 Rh -","- C192 H160 F8 P12 Rh4 -","4","1","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100551","13.3165","0.0007","19.8008","0.0011","20.23","0.0011","90","","100.206","0.001","90","","5249.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H57 F P3 Rh -","- C66 H57 F P3 Rh -","- C264 H228 F4 P12 Rh4 -","4","1","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100552","9.702","0.006","22.373","0.013","22.947","0.013","90","","90","","90","","4981","5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H55 F O P3 Rh -","- C58 H55 F O P3 Rh -","- C232 H220 F4 O4 P12 Rh4 -","4","1","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100553","12.4782","0.0009","20.1446","0.0014","16.0477","0.0011","90","","95.785","0.001","90","","4013.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H41 F3 P3 Rh -","- C48 H41 F3 P3 Rh -","- C192 H164 F12 P12 Rh4 -","4","1","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100554","36.569","0.003","13.3334","0.0011","26.1782","0.0019","90","","90","","90","","12764.2","1.8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C124.5 H113 Cl5 F12 N4 P10 Ru2 -","- C122 H108 F12 N4 P10 Ru2 -","- C488 H432 F48 N16 P40 Ru8 -","4","0.5","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100555","6.4449","0.0003","9.0872","0.0004","9.9654","0.0006","90","0.002","96.794","0.0019","90","0.002","579.54","0.05","90","0.2","90","0.2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","1,3-dimethylcyclopenta[c]thienyltricarbonylmanganese","","","- C12 H9 Mn O3 S -","- C12 H9 Mn O3 S -","- C24 H18 Mn2 O6 S2 -","2","0.5","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100556","11.1212","0.0002","13.214","0.0002","13.3159","0.0003","66.5713","0.0009","85.037","0.0009","76.7723","0.0009","1747.85","0.06","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","1,3-diphenylcyclopenta[c]thienyltricarbonylmanganese","","","- C22 H13 Mn O3 S -","- C22 H13 Mn O3 S -","- C88 H52 Mn4 O12 S4 -","4","2","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100557","13.0577","0.0012","13.3559","0.0014","22.142","0.002","90","","90","","90","","3861.5","0.6","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 F12 I4 N Na O6 -","- C30 H24 F12 I4 N Na O6 -","- C120 H96 F48 I16 N4 Na4 O24 -","4","1","","Andrea Mele; Pierangelo Metrangolo; Hannes Neukirch; Tullio Pilati; Giuseppe Resnati","A Halogen Bonding-Based Heteroditopic Receptor for Alkali Metal Halides","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100558","15.229","0.002","10.9352","0.0017","20.058","0.003","90","","103.385","0.003","90","","3249.6","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Cl2 Mo O5 P -","- C32 H41 Cl2 Mo O5 P -","- C128 H164 Cl8 Mo4 O20 P4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100559","30.656","0.01","9.859","0.003","20.754","0.007","90","","122.007","0.004","90","","5319","3","120","0.1","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H37 Mo O3 P S -","- C26 H37 Mo O3 P S -","- C208 H296 Mo8 O24 P8 S8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100560","10.903","0.002","11.395","0.002","12.157","0.002","104.57","0.03","108.57","0.03","103.77","0.03","1299.8","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H34 Br Mo O3 P -","- C25 H34 Br Mo O3 P -","- C50 H68 Br2 Mo2 O6 P2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100561","8.9","0.0018","23.129","0.005","13.248","0.003","90","","94.72","0.03","90","","2717.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 Mo O3 P S -","- C26 H37 Mo O3 P S -","- C104 H148 Mo4 O12 P4 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100562","6.7184","0.0013","17.702","0.004","22.591","0.005","90","","90","","90","","2686.8","0.9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Br Cl N O3 S2 -","- C27 H29 Br Cl N O3 S2 -","- C108 H116 Br4 Cl4 N4 O12 S8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100563","34.764","0.007","7.7896","0.0016","8.8527","0.0018","90","","101.6","0.03","90","","2348.3","0.8","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H28 Cl N O3 S2 -","- C22 H28 Cl N O3 S2 -","- C88 H112 Cl4 N4 O12 S8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100564","7.5875","0.0015","28.279","0.006","10.105","0.002","90","","91.42","0.03","90","","2167.6","0.7","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H12.5 Cl N O3 S2 -","- C22 H26 Cl N O3 S2 -","- C88 H104 Cl4 N4 O12 S8 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100565","8.461","0.001","26.688","0.004","26.69","0.004","60.028","0.015","89.981","0.017","89.782","0.017","5220.8","1.3","298","2","298","2","","","","","","","","7","P 1","P 1","1","","","","- C30 H63 N15 Na4.25 O44.5 P3 U3 -","- C30 H30 N15 Na4.26 O44.215 P3 U3 -","- C60 H60 N30 Na8.52 O88.43 P6 U6 -","2","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","286259","2023-09-07","06:00:48",""
"4100566","12.9232","0.0001","19.6316","0.0002","22.5922","0.0003","90","","94.371","0.001","90","","5715.04","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Fe(OEP)(2-MeIm)]K(222)","","","- C58 H85 Fe K N8 O6 -","- C58 H85 Fe K N8 O6 -","- C232 H340 Fe4 K4 N32 O24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100567","12.431","0.003","21.078","0.004","23.879","0.005","90","","95.74","0.03","90","","6225","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Fe(TPP)(2-MeIm)]K(222)","","","- C69 H71.5 Cl0.5 Fe K N8 O6 -","- C69 H69 Cl0.5 Fe K N8 O6 -","- C276 H276 Cl2 Fe4 K4 N32 O24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100568","16.115","0.005","11.761","0.003","8.482","0.003","90","","90","","90","","1607.6","0.8","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H24 F2 Ir P -","- C14 H22 F2 Ir P -","- C56 H88 F8 Ir4 P4 -","4","0.5","","Russell P. Hughes; Roman B. Laritchev; Jian Yuan; James A. Golen; Adam N. Rucker; Arnold L. Rheingold","A Simple Route to Difluorocarbene and Perfluoroalkylidene Complexes of Iridium","Journal of the American Chemical Society","2005","127","","15020","15021","10.1021/ja055166k","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100569","12.6958","0.0017","17.033","0.002","17.415","0.002","109.33","0.002","100.572","0.002","90.329","0.002","3484.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 F4 Ir P -","- C15 H24 F4 Ir P -","- C120 H192 F32 Ir8 P8 -","8","4","","Russell P. Hughes; Roman B. Laritchev; Jian Yuan; James A. Golen; Adam N. Rucker; Arnold L. Rheingold","A Simple Route to Difluorocarbene and Perfluoroalkylidene Complexes of Iridium","Journal of the American Chemical Society","2005","127","","15020","15021","10.1021/ja055166k","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100570","31.5032","0.0005","30.1445","0.0005","61.3699","0.001","90","","94.982","0.001","90","","58059.6","1.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","COV-1CdS-TMDPy","","","- C242 H208 Cd32 N4 S50 -","- C236 Cd32 N4 S50 -","- C1888 Cd256 N32 S400 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100571","26.3539","0.0008","34.515","0.001","73.258","0.002","90","","90","","90","","66636","4","150","2","150","2","","","","","","","","6","I b c a","-I 2b 2c","73","COV-2CdS-TMDPy","","","- C289 H244 Cd32 N2 P2 S52 -","- C249 Cd32 N2 P2 S52 -","- C1992 Cd256 N16 P16 S416 -","8","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100572","30.075","0.0005","58.6144","0.001","31.8999","0.0005","90","","101.945","0.001","90","","55016.4","1.6","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","COV-3CdS-BPy","","","- C166 H138 Cd17 N2 S30 -","- C162 Cd17 N2 S30 -","- C1944 Cd204 N24 S360 -","12","1.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100573","23.4374","0.0004","18.9054","0.0003","24.3535","0.0004","90","","108.546","0.001","90","","10230.5","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","COV-4CdS-TMDPy","","","- C97 H84 Cd8 N2 S15 -","- C97 H84 Cd8 N2 S15 -","- C388 H336 Cd32 N8 S60 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100574","8.7703","0.0008","12.6055","0.0012","9.0914","0.0009","90","","118.124","0.002","90","","886.42","0.15","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 I N O3 -","- C16 H20 I N O3 -","- C32 H40 I2 N2 O6 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100575","11.5886","0.0008","18.9715","0.0013","7.2785","0.0005","90","","90","","90","","1600.2","0.19","295","2","295","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C64 H84 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100576","8.6587","0.0005","8.6285","0.0005","10.8061","0.0006","90","","108.403","0.001","90","","766.05","0.08","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O -","- C17 H16 Br N O -","- C34 H32 Br2 N2 O2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100577","7.0983","0.0007","11.0402","0.0012","8.6438","0.0009","90","","112.212","0.002","90","","627.12","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 I N O -","- C12 H14 I N O -","- C24 H28 I2 N2 O2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100578","9.166","0.002","10.794","0.003","17.987","0.004","90","","90","","90","","1779.6","0.7","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 I N O -","- C17 H22 I N O -","- C68 H88 I4 N4 O4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100579","4.688","0.006","13.37","0.02","14.57","0.02","99.62","0.06","97.97","0.05","94.74","0.06","886","7","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H10 F6 N2 S2 -","- C20 H10 F6 N2 S2 -","- C40 H20 F12 N4 S4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100580","18.58","0.02","6.736","0.005","7.38","0.007","90","","104.7","0.04","90","","893","5","453.2","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H10 F6 N2 S2 -","- C20 H10 F6 N2 S2 -","- C40 H20 F12 N4 S4 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100581","18.228","0.003","11.9701","0.0019","34.062","0.006","90","","122.355","0.002","90","","6278.2","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H38 In4 O32 -","- C56 H32 In4 O32 -","- C224 H128 In16 O128 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100582","12.3292","0.0017","12.7323","0.0018","13.4515","0.0019","79.955","0.002","63.53","0.002","89.547","0.002","1855.4","0.5","116","2","116","2","","","","","","","","7","P -1","-P 1","2","","","","- C32.45 H33.75 F6 Mn N5 O11 S2 -","- C32.45 H33.75 F6 Mn N5 O11 S2 -","- C64.9 H67.5 F12 Mn2 N10 O22 S4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja039283w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100583","12.2904","0.0017","12.4154","0.0018","13.574","0.002","68.808","0.002","71.611","0.002","85.975","0.002","1830.4","0.5","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H35 Cl2 Mn N6 O14 -","- C31 H29 Cl2 Mn N6 O12 -","- C62 H58 Cl4 Mn2 N12 O24 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja039283w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100584","11.1722","0.0017","13.105","0.002","19.514","0.003","92.328","0.002","98.748","0.002","94.309","0.003","2812","0.7","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H63.5 Cl Mn N10.5 O3 V -","- C55 H63.75 Cl Mn N10.25 O3 V -","- C110 H127.5 Cl2 Mn2 N20.5 O6 V2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438112","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100585","13.959","0.003","42.297","0.015","18.391","0.005","90","","94.814","0.018","90","","10820","5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73.6 H73.6 Cu1.6 N8 O16 -","- C73.6 H73.6 Cu1.6 N8 O16 -","- C368 H368 Cu8 N40 O80 -","5","1.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438112","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100586","8.2324","0.0004","11.8173","0.0005","12.3121","0.0006","90","","102.505","0.001","90","","1169.36","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052098t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100587","12.6016","0.0005","10.6999","0.0005","12.1039","0.0006","90","","90","","90","","1632","0.1","296.2","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H14 Cl N O Se -","- C17 H14 Cl N O Se -","- C68 H56 Cl4 N4 O4 Se4 -","4","1","","Fujiwara, Shin-ichi","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052175k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100588","8.952","0.0004","10.9237","0.0005","13.4982","0.0005","90","","107.191","0.002","90","","1261.01","0.09","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H14 O Se -","- C13 H14 O Se -","- C52 H56 O4 Se4 -","4","1","","Fujiwara, Shin-ichi","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052175k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100589","4.8551","0.0002","13.333","0.0005","15.6798","0.0008","97.241","0.002","96.07","0.002","95.031","0.002","996","0.08","150","","","","","","","","","","","5","P 1","P 1","1","","","","- C23 H24 Br N O -","- C23 H24 Br N O -","- C46 H48 Br2 N2 O2 -","2","2","","","Crystal and molecular structure of ca030205","Journal of the American Chemical Society","2005","","","","","10.1021/ja052411r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100590","16.7411","0.0001","28.5619","0.0003","19.501","0.0002","90","","111.975","0.0005","90","","8647.12","0.14","150","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C207 H200 N12 O8 P4 -","- C207 H157 N12 O8 P4 -","- C414 H314 N24 O16 P8 -","2","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja052411r","","","","","","","","","","","","","","","","","","","","","has coordinates","201210","2020-10-21","18:00:00",""
"4100591","13.0823","0.0004","23.5818","0.0009","21.4652","0.0008","90","","101.852","0.001","90","","6480.9","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H82 B Fe N3 O Si -","- C65 H82 B Fe N3 O Si -","- C260 H328 B4 Fe4 N12 O4 Si4 -","4","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja0524447","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100592","12.963","0.0006","22.7555","0.001","22.4921","0.0011","90","","99.957","0.001","90","","6534.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H92 B Fe N3 O2 Si -","- C69 H92 B Fe N3 O2 Si -","- C276 H368 B4 Fe4 N12 O8 Si4 -","4","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja0524447","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100593","15.1477","0.0013","18.5854","0.0013","22.0858","0.0018","90","","96.923","0.002","90","","6172.4","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H65 B F15 Fe N3 Si2 -","- C59 H65 B F15 Fe N3 Si2 -","- C236 H260 B4 F60 Fe4 N12 Si8 -","4","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja0524447","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100594","20.5977","0.0019","13.7738","0.0013","15.3609","0.0014","90","","90","","90","","4358","0.7","90","","90","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C41 H1.5 Cl La0.5 S2 -","- C41 H1.5 Cl La0.5 S2 -","- C328 H12 Cl8 La4 S16 -","8","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja0524806","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100595","18.922","0.004","10.186","0.002","20.927","0.004","90","","106.838","0.003","90","","3860.5","1.4","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","1-(dimesitylfluoroborato)-8-(pentafluorophenylmercury) naphthalenediyl-tris(dimethylamino)sulfonium","","","- C40 H46 B F6 Hg N3 S -","- C40 H46 B F6 Hg N3 S -","- C160 H184 B4 F24 Hg4 N12 S4 -","4","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja053058s","","","","","","","","","","","","","","","","","","","","","has coordinates","120677","2020-10-21","18:00:00",""
"4100596","8.4154","0.0016","9.9386","0.0019","17.397","0.003","80.908","0.003","89.072","0.003","77.901","0.003","1404.7","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","1-(dimesitylboron)-8-(pentafluorophenylmercury)naphthalenediyl","","","- C34 H28 B F5 Hg -","- C34 H28 B F5 Hg -","- C68 H56 B2 F10 Hg2 -","2","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja053058s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100597","9.4932","0.0018","17.566","0.003","27.28","0.005","90","","96.382","0.003","90","","4521","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 F12 N5 O2 P2 -","- C16 H19 F12 N5 O2 P2 -","- C128 H152 F96 N40 O16 P16 -","8","2","","Abdulkareem Melaiye; Zhaohui Sun; Khadijah Hindi; Amy Milsted; Daniel Ely; Darrell H. Reneker; Tessier A. Claire; Wiley J. Youngs","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100598","19.292","0.006","10.259","0.003","20.859","0.006","90","","93.522","0.005","90","","4120","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 Ag2 N10 O7 -","- C33 H34 Ag2 N10 O7 -","- C132 H136 Ag8 N40 O28 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100599","9.793","0.0001","14.426","0.0002","29.275","0.0005","90","","90","","90","","4135.79","0.1","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C24 H31 N O -","- C24 H31 N O -","- C192 H248 N8 O8 -","8","1","","","Efficient Synthesis of Optically Active Atropisomeric Anilides through Catalytic Asymmetric N-Arylation Reaction","Journal of the American Chemical Society","2005","","","","","10.1021/ja042216x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100600","9.93","0.0003","7.879","0.0001","25.78","0.0007","90","","90","","90","","2016.99","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O5 -","- C21 H26 N2 O5 -","- C84 H104 N8 O20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042216x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100601","14.9159","0.0007","14.9159","0.0007","14.9159","0.0007","90","","90","","90","","3318.6","0.3","123","2","123","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C6 H12 Cu N3 O -","- C6 H12 Cu N3 O1.01 -","- C72 H144 Cu12 N36 O12.12 -","12","0.25","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100602","43.733","0.005","26.579","0.003","39.339","0.004","90","","90","","90","","45726","8","123","2","123","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C41 H72 Cu5 N13 -","- C41 H72 Cu5 N13 -","- C1312 H2304 Cu160 N416 -","32","2","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100603","15.7158","0.0006","21.862","0.0008","23.7775","0.0009","90","","108.778","0.008","90","","7734.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H60 Cu6 N18 -","- C84 H60 Cu6 N18 -","- C336 H240 Cu24 N72 -","4","1","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100604","10.4237","0.0009","12.6458","0.001","13.6176","0.0011","67.539","0.001","71.225","0.001","67","0.001","1495.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 Cu4 N22 O6 -","- C60 H44 Cu4 N22 O6 -","- C60 H44 Cu4 N22 O6 -","1","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100605","17.4879","0.0011","12.5107","0.0008","21.5927","0.0013","90","","93.604","0.001","90","","4714.8","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H36 Cu5 N21 O5 -","- C48 H36 Cu5 N21 O5 -","- C192 H144 Cu20 N84 O20 -","4","1","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100606","17.4349","0.0009","7.1639","0.0004","18.6729","0.001","90","","110.843","0.001","90","","2179.7","0.2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cu N10 -","- C24 H20 Cu N10 -","- C96 H80 Cu4 N40 -","4","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100607","17.4679","0.0008","6.9798","0.0003","19.2699","0.0009","90","","112.332","0.001","90","","2173.22","0.17","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N10 Ni -","- C24 H20 N10 Ni -","- C96 H80 N40 Ni4 -","4","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100608","6.9193","0.001","9.4382","0.0013","9.7675","0.0014","81.852","0.003","73.411","0.003","82.154","0.003","602.04","0.15","423","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N10 Ni O2 -","- C24 H24 N10 Ni O2 -","- C24 H24 N10 Ni O2 -","1","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100609","20.4436","0.0013","16.9489","0.0011","23.1265","0.0015","90","","112.007","0.001","90","","7429.4","0.8","220","2","220","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C96 H93 B4 Cu9 F16 N40 O8 -","- C96 H93.04 B4 Cu9 F16 N40 O8.02 -","- C192 H186.08 B8 Cu18 F32 N80 O16.04 -","2","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100610","31.667","0.002","10.4902","0.0007","21.2886","0.0015","90","","90","","90","","7071.8","0.8","123","2","123","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C36 H24 Cl3 Cu6 N15 -","- C36 H24 Cl3 Cu6 N15 -","- C288 H192 Cl24 Cu48 N120 -","8","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100611","10.4549","0.0008","13.4937","0.001","8.6815","0.0007","90","","100.579","0.002","90","","1203.93","0.16","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cu2 N4 O10 -","- C20 H24 Cu2 N4 O10 -","- C40 H48 Cu4 N8 O20 -","2","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100612","8.0017","0.0007","8.5956","0.0007","10.5915","0.0009","79.648","0.004","79.043","0.003","78.855","0.004","693.94","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C2 H2 Cu N3 -","- C2 H2 Cu N3 -","- C16 H16 Cu8 N24 -","8","4","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100613","8.127","0.0006","8.7159","0.0007","11.4385","0.0009","80.177","0.004","79.31","0.006","84.147","0.006","782.43","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C2 H2 Ag N3 -","- C2 H2 Ag N3 -","- C16 H16 Ag8 N24 -","8","4","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100614","6.314","0.003","7.148","0.003","16.263","0.006","90","","90","","90","","734","0.5","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 N3 O2 -","- C5 H11 N3 O2 -","- C20 H44 N12 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042258l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100615","28.764","0.009","19.258","0.006","32.519","0.01","90","","114.012","0.005","90","","16455","9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C144 H268 Co18 N96 O86 W12 -","- C144 H268 Co18 N96 O86 W12 -","- C288 H536 Co36 N192 O172 W24 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042334k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100616","28.72","0.02","19.276","0.013","32.49","0.02","90","","114.241","0.012","90","","16403","20","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C152 H288 Co18 Mo12 N96 O88 -","- C152 H288 Co18 Mo12 N96 O88 -","- C304 H576 Co36 Mo24 N192 O176 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042334k","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100617","9.3834","0.0006","24.0014","0.0016","14.5305","0.0009","90","","93.104","0.001","90","","3267.7","0.4","243","2","243","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 N O9 P Ru3 -","- C32 H20 N O9 P Ru3 -","- C128 H80 N4 O36 P4 Ru12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042510p","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100618","10.4744","0.0006","23.1133","0.0011","30.5198","0.0017","90","","90","","90","","7388.8","0.7","243","2","243","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H29 N O5 P2 Ru2 -","- C40 H29 N O5 P2 Ru2 -","- C320 H232 N8 O40 P16 Ru16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042510p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100619","34.013","0.002","8.9515","0.0005","18.0183","0.0011","90","","121.221","0.001","90","","4691.4","0.5","243","2","243","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 N2 O6 P2 Ru3 -","- C52 H40 N2 O6 P2 Ru3 -","- C208 H160 N8 O24 P8 Ru12 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042510p","","","","","","","","","","","","","","","","","","","","","has coordinates","201214","2020-10-21","18:00:00",""
"4100620","11.64","0.003","6.8189","0.0019","15.419","0.004","90","","107.106","0.005","90","","1169.7","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfamethoxazole","","","- C10 H11 N3 O3 S -","- C10 H11 N3 O3 S -","- C40 H44 N12 O12 S4 -","4","1","","Price, C.P.; Grzesiak, A.L.; Matzger, A.J.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042561m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100621","5.4895","0.0009","16.761","0.003","12.422","0.002","90","","97.08","0.002","90","","1134.2","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N3 O3 S -","- C10 H11 N3 O3 S -","- C40 H44 N12 O12 S4 -","4","1","","Price, C.P.; Grzesiak, A.L.; Matzger, A.J.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042561m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100622","17.543","0.003","6.1234","0.001","12.0521","0.0019","90","","105.708","0.004","90","","1246.3","0.3","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 O2 -","- C12 H24 O2 -","- C48 H96 O8 -","4","1","","Price, C.P.; Grzesiak, A.L.; Matzger, A.J.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042595u","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100623","20.881","0.01","8.843","0.004","10.102","0.005","90","","92.772","0.01","90","","1863.1","1.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C68 H88 N8 O24 -","4","1","","Price, C.P.; Grzesiak, A.L.; Matzger, A.J.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042595u","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100624","5.2632","0.0002","12.3766","0.0005","13.1225","0.0006","90","","90","","90","","854.81","0.06","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2 H7 N9 O4 -","- C8 H28 N36 O16 -","- C8 H28 N36 O16 -","","","","Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand","1,5-Diamino-4-methyltetrazolium dinitramide","Journal of the American Chemical Society","2005","","","","","10.1021/ja042596m","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100625","8.536","0.004","19.159","0.008","11.715","0.005","90","","91.962","0.009","90","","1914.8","1.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","1","","Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand","1,5-Diamino-4-methyltetrazolium dinitramide","Journal of the American Chemical Society","2005","","","","","10.1021/ja042636m","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100626","13.9427","0.0014","15.7739","0.0016","12.9419","0.0014","90","","91.362","0.002","90","","2845.5","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H34 I2 N2 Si2 -","- C22 H34 I2 N2 Si2 -","- C88 H136 I8 N8 Si8 -","4","1","","Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand","1,5-Diamino-4-methyltetrazolium dinitramide","Journal of the American Chemical Society","2005","","","","","10.1021/ja042636m","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100627","5.7943","0.0006","10.6358","0.0011","15.5975","0.0016","90","","90.385","0.002","90","","961.21","0.17","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C52 H40 N4 -","2","0.5","","Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand","1,5-Diamino-4-methyltetrazolium dinitramide","Journal of the American Chemical Society","2005","","","","","10.1021/ja042636m","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100628","9.2317","0.0001","11.5165","0.0002","17.5796","0.0003","85.575","0.001","89.308","0.001","89.733","0.001","1863.29","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H64 N2 O3 W2 -","- C35 H64 N2 O3 W2 -","- C70 H128 N4 O6 W4 -","2","1","","Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand","1,5-Diamino-4-methyltetrazolium dinitramide","Journal of the American Chemical Society","2005","","","","","10.1021/ja0426692","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100629","22.1618","0.0003","13.0316","0.0002","17.9373","0.0003","90","","131.682","0.002","90","","3868.93","0.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Complex 3","","","- C22 H33 N O W -","- C22 H33 N O W -","- C176 H264 N8 O8 W8 -","8","1","","Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand","1,5-Diamino-4-methyltetrazolium dinitramide","Journal of the American Chemical Society","2005","","","","","10.1021/ja0426692","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100630","32.6504","0.0013","32.6504","0.0013","32.6504","0.0013","90","","90","","90","","34807","2","258","2","258","2","","","","","","","","6","F -4 3 m","F -4 2 3","216","IRMOP-50","","","- C108 H84 Fe12 N12 O84 S12 -","- C108 H84 Fe12 N12 O88 S12 -","- C432 H336 Fe48 N48 O352 S48 -","4","0.0416667","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100631","32.6504","0.0013","32.6504","0.0013","32.6504","0.0013","90","","90","","90","","34807","2","258","2","258","2","","","","","","","","6","F -4 3 m","F -4 2 3","216","IRMOP-50","","","- C108 H84 Fe12 N12 O76 S12 -","- C108 H84 Fe12 N12 O76 S12 -","- C432 H336 Fe48 N48 O304 S48 -","4","0.0416667","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100632","25.8626","0.0009","26.8359","0.0009","28.1926","0.001","75.138","0.001","88.568","0.001","63.783","0.001","16878.6","1","258","2","258","2","","","","","","","","6","P -1","-P 1","2","IRMOP-51t","","","- C212.5 H100 Fe12 N36.5 O90 S12 -","- C212.5 H100 Fe12 N36.5 O90 S12 -","- C425 H200 Fe24 N73 O180 S24 -","2","1","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4100633","25.8626","0.0009","26.8359","0.0009","28.1926","0.001","75.138","0.001","88.568","0.001","63.783","0.001","16878.6","1","258","2","258","2","","","","","","","","6","P -1","-P 1","2","IRMOP-51t","","","- C144 H100 Fe12 N12 O76 S12 -","- C144 H100 Fe12 N12 O76 S12 -","- C288 H200 Fe24 N24 O152 S24 -","2","1","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4100634","38.508","0.009","38.508","0.009","38.508","0.009","90","","90","","90","","57102","24","153","2","153","2","","","","","","","","6","F -4 3 m","F -4 2 3","216","IRMOF-51c","","","- C150 H108 Fe12 N18 O76 S12 -","- C150 H108 Fe12 N18 O76 S12 -","- C600 H432 Fe48 N72 O304 S48 -","4","0.0416667","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100635","38.508","0.009","38.508","0.009","38.508","0.009","90","","90","","90","","57101.8","23.1","153","2","153","2","","","","","","","","6","F -4 3 m","F -4 2 3","216","IRMOF-51c","","","- C144 H108 Fe12 N12 O76 S12 -","- C144 H108 Fe12 N12 O76 S12 -","- C576 H432 Fe48 N48 O304 S48 -","4","0.0416667","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100636","43.73","0.004","22.671","0.002","41.328","0.004","90","","120.182","0.002","90","","35418","6","258","2","258","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","IRMOP-52","","","- C226 H132 Fe12 N26 O94 S12 -","- C226 H132 Fe12 N26 O94 S12 -","- C904 H528 Fe48 N104 O376 S48 -","4","0.5","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100637","43.73","0.004","22.671","0.002","41.328","0.004","90","","120.182","0.002","90","","35418","6","258","2","258","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","IRMOP-52","","","- C168 H132 Fe12 N12 O76 S12 -","- C168 H132 Fe12 N12 O76 S12 -","- C672 H528 Fe48 N48 O304 S48 -","4","0.5","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100638","31.642","0.003","31.762","0.003","31.83","0.003","75.847","0.002","75.264","0.002","60.155","0.002","26568","4","293","2","258","2","","","","","","","","6","P -1","-P 1","2","IRMOF-53","","","- C188.5 H132 Fe12 N13.5 O104.5 S12 -","- C188.5 H132 Fe12 N13.5 O104.5 S12 -","- C377 H264 Fe24 N27 O209 S24 -","2","1","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100639","31.642","0.003","31.762","0.003","31.83","0.003","75.847","0.002","75.264","0.002","60.155","0.002","26568","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","IRMOF53","","","- C180 H132 Fe12 N12 O76 S12 -","- C180 H132 Fe12 N12 O76 S12 -","- C360 H264 Fe24 N24 O152 S24 -","2","1","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100640","26.8549","0.0013","26.8549","0.0013","40.9221","0.0019","90","","90","","90","","29512","2","258","2","258","2","","","","","","","","6","I 41/a :2","-I 4ad","88","IRMOP-54","","","- C180 H120 Fe12 N16 O115 S12 -","- C180 H120 Fe12 N16 O115 S12 -","- C720 H480 Fe48 N64 O460 S48 -","4","0.25","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100641","9.5634","0.0002","13.7333","0.0004","22.4731","0.0007","90","","90","","90","","2951.55","0.14","173","2","173","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C35 H30 N2 O7 U -","- C35 H30 N2 O7 U -","- C140 H120 N8 O28 U4 -","4","0.5","","Nissinen Maija; Cametti Massimo; Dalla Cort Antonella; Rissanen Kari; Mandolini Luigi","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100642","9.6034","0.0001","13.323","0.0002","23.3439","0.0003","90","","90","","90","","2986.76","0.07","173","2","173","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C36 H29 N3 O6 U -","- C36 H29 N3 O6 U -","- C144 H116 N12 O24 U4 -","4","0.5","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100643","32.4597","0.0007","15.9145","0.0004","26.1849","0.0004","90","","120.983","0.001","90","","11596.6","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H52 Cl Cs N6 O12 U2 -","- C59 H50 Cl Cs N6 O12 U2 -","- C472 H400 Cl8 Cs8 N48 O96 U16 -","8","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","214503","2020-10-21","18:00:00",""
"4100644","16.3779","0.0007","13.9653","0.0006","16.6928","0.0005","90","","107.568","0.002","90","","3639.9","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cs F N4 O6 U -","- C38 H32 Cs F N4 O6 U -","- C152 H128 Cs4 F4 N16 O24 U4 -","4","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100645","12.0338","0.0003","12.362","0.0003","14.5835","0.0005","108.135","0.002","97.069","0.001","108.179","0.002","1899.66","0.09","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32 Cl Cs N4 O6 U -","- C38 H32 Cl Cs N4 O6 U -","- C76 H64 Cl2 Cs2 N8 O12 U2 -","2","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100646","14.3905","0.0002","15.2086","0.0003","15.5041","0.0003","93.2582","0.0007","107.142","0.0007","100.843","0.001","3161.7","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H60 Cl K N4 O14 U2 -","- C70 H60 Cl K N4 O14 U2 -","- C140 H120 Cl2 K2 N8 O28 U4 -","2","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100647","11.8754","0.0004","12.2205","0.0005","14.6154","0.0007","107.79","0.002","96.735","0.002","108.296","0.002","1863.44","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32.5 Cl N4 O6.25 Rb U -","- C38 H32 Cl N4 O6.25 Rb U -","- C76 H64 Cl2 N8 O12.5 Rb2 U2 -","2","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100648","12.5316","0.0005","13.5637","0.0004","13.9037","0.0005","99.611","0.002","101.62","0.002","91.385","0.002","2278.26","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H37 Cl3 N4 O11 U2 -","- C43 H37 Cl3 N4 O11 U2 -","- C86 H74 Cl6 N8 O22 U4 -","2","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","214503","2020-10-21","18:00:00",""
"4100649","12.5727","0.0005","16.8834","0.0008","9.4789","0.0003","90","","90","","90","","2012.09","0.14","173","2","173","2","","","","","","","","5","C c m 21","C 2c -2c","36","","","","- C22 H17 N3 O4 U -","- C22 H17 N3 O4 U -","- C88 H68 N12 O16 U4 -","4","0.5","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100650","18.859","0.016","24.37","0.02","15.585","0.014","90","","111.17","0.08","90","","6680","10","293","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","6-AmCio-b-CD","","","- C51 H57 N O43 -","- C51 H57 N O43 -","- C204 H228 N4 O172 -","4","1","","Nissinen, Maija; Cametti, Massimo; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042840+","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100651","20.11","0.02","21.94","0.02","16.054","0.017","90","","114.11","0.04","90","","6466","12","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","calix[4]arene-diester-diazide","","","- C62 H86 N6 O12 -","- C62 H86 N6 O12 -","- C248 H344 N24 O48 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042882y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100652","10.6806","0.0013","13.271","0.0016","14.7945","0.0018","90","","90.257","0.002","90","","2097","0.4","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 O2 Si -","- C22 H34 O2 Si -","- C88 H136 O8 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042893r","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100653","6.3526","0.0008","19.973","0.003","14.0526","0.0017","90","","93.574","0.002","90","","1779.6","0.4","158","2","158","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H32 O2 Si -","- C17 H32 O2 Si -","- C68 H128 O8 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042893r","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100654","12.42","0.003","12.547","0.003","12.71","0.003","94.592","0.004","117.208","0.004","115.894","0.004","1484.6","0.6","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H82 Cl6 Fe6 N2 Ni2 P2 S6 -","- C34 H82 Cl6 Fe6 N2 Ni2 P2 S6 -","- C34 H82 Cl6 Fe6 N2 Ni2 P2 S6 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042938o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100655","16.947","0.002","16.975","0.002","20.846","0.003","90","","90","","90","","5996.7","1.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H70 Cl4 Cu4 Fe4 P4 S6 -","- C36.94 H70 Cl4 Cu4 Fe4 P4 S6 -","- C147.76 H280 Cl16 Cu16 Fe16 P16 S24 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042938o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100656","13.9364","0.0018","15.934","0.002","15.719","0.002","90","","96.004","0.002","90","","3471.6","0.8","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C22 H51 Cl3 Cu Fe3 N P S3 -","- C44 H102 Cl6 Cu2 Fe6 N2 P2 S6 -","- C88 H204 Cl12 Cu4 Fe12 N4 P4 S12 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042938o","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100657","19.9487","0.0016","19.9487","0.0016","26.536","0.005","90","","90","","120","","9145.2","1.9","123","2","123","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C36 H84 Cl4 Fe4 Ni4 P4 S6 -","- C36 H84 Cl4 Fe4 Ni4 P4 S6 -","- C216 H504 Cl24 Fe24 Ni24 P24 S36 -","6","0.333333","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042938o","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100658","21.5707","0.0015","21.4607","0.0015","23.8297","0.0017","90","","90","","90","","11031.3","1.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","{(PNP)cu}2","","","- C56 H88 Cu2 N2 P4 -","- C56 H88 Cu2 N2 P4 -","- C448 H704 Cu16 N16 P32 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043092r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100659","21.143","0.003","12.572","0.002","23.8","0.003","90","","108.62","0.05","90","","5995.1","1.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C126 H146 N9 O14.5 -","- C126 H146 N9 O14.5 -","- C252 H292 N18 O29 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043116u","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100660","14.971","0.005","8.349","0.003","21.008","0.007","90","","98.835","0.007","90","","2594.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C27 H32 N2 O3 S -","- C27 H32 N2 O3 S -","- C108 H128 N8 O12 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0432968","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100661","12.0567","0.0007","21.0432","0.0012","16.1596","0.0009","90","","101.502","0.001","90","","4017.5","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H39 Au2 Cl3 P2 -","- C45 H39 Au2 Cl3 P2 -","- C180 H156 Au8 Cl12 P8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043401d","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100662","12.061","0.005","9.564","0.004","8.887","0.004","90","","110.683","0.007","90","","959.1","0.7","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H14 Cu N2 O5 -","- C6 H14 Cu N2 O5 -","- C24 H56 Cu4 N8 O20 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043461j","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100663","9.6257","0.0008","19.4236","0.0014","11.1331","0.0008","90","","94.26","0.003","90","","2075.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H36 N2 O3 -","- C18 H35 N2 O3 -","- C72 H140 N8 O12 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043470s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100664","12.7464","0.0002","15.0932","0.0002","18.6957","0.0003","95.3241","0.0007","95.2033","0.0007","108.001","0.0007","3378.78","0.09","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C158 H134 Cl6 N6 O18 -","- C158 H134 Cl6 N6 O18 -","- C158 H134 Cl6 N6 O18 -","1","0.5","","Scherer, Lukas J.; Merz, Leo; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Hermann, B. A.","Conformational Analysis of Self-Organized Monolayers with Scanning Tunneling Microscopy at Near-Atomic Resolution","Journal of the American Chemical Society","2005","127","11","4033","4041","10.1021/ja043638+","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4100665","6.413","0.01","7.285","0.012","14.211","0.016","81.839","0.01","80.624","0.01","79.736","0.007","640.2","1.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H22 O -","- C13 H22 O -","- C26 H44 O2 -","2","1","","Bhargava, Surbhi; Hou, Jianjun; Parvez, Masood; Sorensen, Ted S.","Preparation and Crystal Structure of Two Bicyclo[1.1.0]butan-2-ones. A Hybrid Oxyallyl-Cyclopropanone Motif","Journal of the American Chemical Society","2005","","","","","10.1021/ja043646q","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100666","6.659","0.004","10.52","0.005","10.674","0.005","96.64","0.03","95.54","0.03","107.96","0.03","699.6","0.6","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H26 O -","- C15 H26 O -","- C30 H52 O2 -","2","1","","Bhargava, Surbhi; Hou, Jianjun; Parvez, Masood; Sorensen, Ted S.","Preparation and Crystal Structure of Two Bicyclo[1.1.0]butan-2-ones. A Hybrid Oxyallyl-Cyclopropanone Motif","Journal of the American Chemical Society","2005","","","","","10.1021/ja043646q","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100667","19.2943","0.0016","10.5163","0.0009","15.1501","0.0013","90","","104.137","0.0016","90","","2980.9","0.4","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Mes*NP-TMEDA]OTf","","","- C25 H45 F3 N3 O3 P S -","- C25 H45 F3 N3 O3 P S -","- C100 H180 F12 N12 O12 P4 S4 -","4","1","","Neil Burford; Andrew D. Phillips; Heather A. Spinney; Michael Lumsden; Ulrike Werner-Zwanziger; Michael J. Ferguson; Robert McDonald","Hypervalent, low coordinate phosphorus(III) centers in complexes of the phosphadiazonium cation with chelating ligands","Journal of the American Chemical Society","2005","","","","","10.1021/ja043691y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100668","17.492","0.0008","14.717","0.0007","19.1407","0.0009","90","","101.393","0.001","90","","4830.3","0.4","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Mes*NP-DIPHOS]OTf","","","- C51 H59 F3 N O3 P3 S -","- C51 H59 F3 N O3 P3 S -","- C204 H236 F12 N4 O12 P12 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043691y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100669","10.033","0.0005","12.5898","0.0006","18.1171","0.0009","106.487","0.0008","100.808","0.0008","98.1714","0.0008","2108.54","0.18","193","2","193","2","","","","","","","","7","P -1","-P 1","2","[Mes*NP-PMDETA]OTf","","","- C37 H65 F3 N4 O3.5 P S -","- C35 H60 F3 N4 O3 P S -","- C70 H120 F6 N8 O6 P2 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043691y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100670","16.2258","0.0006","17.1365","0.0007","20.7837","0.0008","90","","104.053","0.001","90","","5606","0.4","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Fe(Tp-OCH3PP)(2-MeHIm)]","","","- C66.6 H54.7 Cl2.3 Fe N6.4 O4 -","- C66.79 H54.1 Cl2.3 Fe N6.39 O4 -","- C267.16 H216.4 Cl9.2 Fe4 N25.56 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044077p","","","","","","","0.0496","","","0.1258","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100671","9.7135","0.0011","10.7474","0.0013","25.525","0.003","85.98","0.002","87.73","0.002","74.323","0.003","2558.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Fe(Tp-OCH3PP)(1,2-Me2Im)]","","","- C62 H56 Cl Fe N6 O4 -","- C62 H56 Cl Fe N6 O4 -","- C124 H112 Cl2 Fe2 N12 O8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044077p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100672","13.0504","0.0008","9.4303","0.0006","35.931","0.002","90","","98.468","0.001","90","","4373.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Fe(TPP)(1,2-DiMeHIm)]","","","- C56 H44 Fe N6 -","- C56 H44 Fe N6 -","- C224 H176 Fe4 N24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044077p","","","","","","","0.0396","","","0.1077","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100673","13.9178","0.0003","22.8372","0.0004","15.4107","0.0003","90","","96.999","0.001","90","","4861.69","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fe(TTP)(2-MeHIM)","","","- C61 H54 Cl Fe N6 -","- C61 H54 Cl Fe N6 -","- C244 H216 Cl4 Fe4 N24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044077p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100674","7.2444","0.0009","7.2444","0.0009","28.417","0.005","90","","90","","90","","1491.4","0.4","123.2","","","","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- C32 H12 Cs2 Cu7 Mo4 N32 O6 -","- C32 Cs2 Cu7 Mo4 N32 O6 -","- C32 Cs2 Cu7 Mo4 N32 O6 -","1","0.03125","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja044107o","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100675","10.5722","0.0004","10.5722","0.0004","10.5722","0.0004","90","","90","","90","","1181.67","0.08","293","2","293","2","","","","","","","","7","P -4 3 m","P -4 2 3","215","Guanidinium tetramethoxyborate hexafluorophosphate solvate","","","- C18 H68 B3 F6 N12 O14 P -","- C16 H60 B3 N12 O12 -","- C16 H60 B3 N12 O12 -","1","0.0416667","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja044200c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100676","10.6139","0.0004","10.6139","0.0004","10.6139","0.0004","90","","90","","90","","1195.71","0.08","293","2","293","2","","","","","","","","6","P -4 3 m","P -4 2 3","215","Guanidinium tetramethoxyborate chloride solvate","","","- C20 H76 B3 Cl N12 O16 -","- C16 H60 B3 N12 O12 -","- C16 H60 B3 N12 O12 -","1","0.0416667","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja044200c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100677","8.6678","0.0011","14.629","0.0018","22.004","0.003","101.23","0.002","94.949","0.002","91.42","0.002","2724.1","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H64 Ir4 O12 P2 Pt2 -","- C44 H64 Ir4 O12 P2 Pt2 -","- C88 H128 Ir8 O24 P4 Pt4 -","2","1","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja0443777","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100678","41.4988","0.0013","27.064","0.0009","25.7975","0.0008","90","","90","","90","","28973.8","1.6","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H108 Ir8 O12 P4 Pt4 -","- C60 H108 Ir8 O12 P4 Pt4 -","- C720 H1296 Ir96 O144 P48 Pt48 -","12","1.5","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja0443777","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100679","19.6831","0.0006","15.6634","0.0004","25.1088","0.0007","90","","91.732","0.001","90","","7737.6","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H111 Ir6 N O10 P4 Pt4 -","- C60 H111 Ir6 N O10 P4 Pt4 -","- C240 H444 Ir24 N4 O40 P16 Pt16 -","4","1","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja0443777","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100680","12.508","0.0007","14.9767","0.0009","23.6748","0.0014","105.119","0.001","99.902","0.001","104.222","0.001","4016","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H132 Ir6 O10 P4 Pt4 -","- C64 H132 Ir6 O10 P4 Pt4 -","- C128 H264 Ir12 O20 P8 Pt8 -","2","1","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja0443777","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100681","7.09","0.001","7.09","0.001","45.566","0.009","90","","90","","120","","1983.6","0.6","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","Platinindiumfluorogallateoxogallate","","","- F15 Ga3 In14 O8 Pt2 -","- F45 Ga9 In42 O24 Pt6 -","- F45 Ga9 In42 O24 Pt6 -","1","0.0277778","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja044389s","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100682","14.402","0.002","9.5935","0.0017","15.103","0.003","90","","107.905","0.003","90","","1985.6","0.6","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Cl N O2 Ti -","- C20 H30 Cl N O2 Ti -","- C80 H120 Cl4 N4 O8 Ti4 -","4","1","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja044512f","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100683","10.3411","0.0007","12.6338","0.0008","17.9017","0.001","105.505","0.007","92.569","0.007","90.395","0.008","2251","0.3","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H38 Eu N11 O13 -","- C43 H38 Eu N11 O13 -","- C86 H76 Eu2 N22 O26 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100684","10.9828","0.0009","12.6817","0.0012","15.6892","0.0014","94.346","0.011","105.641","0.01","98.462","0.011","2066","0.4","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H32 N9 O13 Yb -","- C39 H29 N9 O13 Yb -","- C78 H58 N18 O26 Yb2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100685","11.4075","0.0009","15.8957","0.0012","17.4287","0.0012","76.098","0.008","76.094","0.009","71.858","0.009","2868","0.5","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H62 N10 O19 Zn -","- C52 H62 N10 O19 Zn -","- C104 H124 N20 O38 Zn2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100686","10.1303","0.0007","11.052","0.0009","18.7876","0.0016","96.292","0.01","93.702","0.009","101.232","0.009","2042.8","0.3","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H35 La N8 O14 -","- C40 H35 La N8 O14 -","- C80 H70 La2 N16 O28 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100687","8.9867","0.0003","14.0148","0.0006","30.7044","0.0011","90","","92.808","0.004","90","","3862.5","0.3","200","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H41 N5 O10 -","- C43 H41 N5 O10 -","- C172 H164 N20 O40 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100688","14.8858","0.0008","15.1794","0.0009","23.6556","0.0013","93.033","0.007","106.13","0.006","118.204","0.006","4416.7","0.6","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C83 H76 Lu2 N16 O29 -","- C83 H76 Lu2 N16 O29 -","- C166 H152 Lu4 N32 O58 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100689","19.2252","0.0008","13.829","0.0004","33.1357","0.0015","90","","90","","90","","8809.6","0.6","200","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C80 H68 Eu2 N19 O26.5 -","- C80 H67 Eu2 N19 O26.5 -","- C320 H268 Eu8 N76 O106 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100690","13.2588","0.0008","10.3996","0.0006","17.3331","0.001","90","","108.54","0.001","90","","2266","0.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 F12 N2 O4 Zn -","- C16 H18 F12 N2 O4 Zn -","- C64 H72 F48 N8 O16 Zn4 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100691","18.216","0.006","10.448","0.002","13.242","0.004","90","","105.617","0.015","90","","2427.2","1.1","280","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 F12 N2 O4 Zn -","- C16 H18 F12 N2 O4 Zn -","- C64 H72 F48 N8 O16 Zn4 -","4","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100692","10.7229","0.0011","17.7077","0.0019","24.76","0.003","90","","90.914","0.002","90","","4700.8","0.9","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 F12 N2 O4 Zn -","- C16 H18 F12 N2 O4 Zn -","- C128 H144 F96 N16 O32 Zn8 -","8","2","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100693","18.284","0.014","12.623","0.01","20.466","0.016","90","","90","","90","","4723","6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H8 Al F15 O2 -","- C23 H8 Al F15 O2 -","- C184 H64 Al8 F120 O16 -","8","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100694","11.939","0.003","12.033","0.003","12.538","0.003","72.016","0.004","61.72","0.004","67.79","0.004","1449.9","0.6","169","2","169","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H46 Li3 O6 -","- C24 H46 Li3 O6 -","- C48 H92 Li6 O12 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100695","9.119","0.007","24.277","0.017","17.121","0.012","90","","93.528","0.016","90","","3783","5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H62 Al Li O4 -","- C38 H62 Al Li O4 -","- C152 H248 Al4 Li4 O16 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100696","25.957","0.0012","10.0679","0.0005","21.0622","0.001","90","","120.673","0.001","90","","4734.2","0.4","294","1","294","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H48 B2 Fe N12 -","- C52 H48 B2 Fe N12 -","- C208 H192 B8 Fe4 N48 -","4","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100697","15.297","0.0009","11.9528","0.0007","14.1961","0.0008","90","","97.659","0.001","90","","2572.5","0.3","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 B2 Fe N12 Si2 -","- C46 H56 B2 Fe N12 Si2 -","- C92 H112 B4 Fe2 N24 Si4 -","2","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100698","19.2722","0.001","10.1801","0.0005","20.1124","0.001","90","","92.995","0.001","90","","3940.5","0.3","294","1","294","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H40 B2 Fe N12 -","- C40 H40 B2 Fe N12 -","- C160 H160 B8 Fe4 N48 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100699","19.1932","0.001","10.1436","0.0005","19.6711","0.001","90","","93.812","0.001","90","","3821.3","0.3","150","1","150","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H40 B2 Fe N12 -","- C40 H40 B2 Fe N12 -","- C160 H160 B8 Fe4 N48 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100700","18.7923","0.001","10.1073","0.0005","19.8578","0.001","90","","94.987","0.001","90","","3757.5","0.3","90","1","90","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H40 B2 Fe N12 -","- C40 H40 B2 Fe N12 -","- C160 H160 B8 Fe4 N48 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100701","18.0097","0.0009","16.9596","0.0008","23.1091","0.0011","90","","93.64","0.001","90","","7044.1","0.6","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C73.5 H120 Sm3 -","- C73.5 H99 Sm3 -","- C294 H396 Sm12 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100702","10.7702","0.0005","27.0242","0.0012","14.1407","0.0006","90","","108.459","0.001","90","","3904","0.3","163","2","163","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H66 Lu2 -","- C42 H66 Lu2 -","- C168 H264 Lu8 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100703","15.9095","0.0015","9.9404","0.0009","15.1263","0.0014","90","","90","","90","","2392.2","0.4","163","2","163","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H37 Sm -","- C27 H37 Sm -","- C108 H148 Sm4 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100704","10.2195","0.0005","11.0809","0.0006","13.9199","0.0007","104.571","0.001","99.493","0.001","108.219","0.001","1397.33","0.12","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H88 O4 Sm2 -","- C62 H88 O4 Sm2 -","- C62 H88 O4 Sm2 -","1","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100705","10.2254","0.0009","10.5715","0.001","12.7887","0.0012","87.415","0.002","75.338","0.001","68.223","0.001","1240.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H74 O4 Sm2 -","- C56 H74 O4 Sm2 -","- C56 H74 O4 Sm2 -","1","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176914","2020-10-21","18:00:00",""
"4100707","11.2987","0.0004","14.7901","0.0005","15.8237","0.0006","108.725","0.002","104.597","0.002","105.35","0.002","2244.56","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H68 B2 Cu2 F40 N10 O3 -","- C89 H60 B2 Cu2 F40 N10 O3 -","- C89 H60 B2 Cu2 F40 N10 O3 -","1","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100708","11.0861","0.0005","12.1285","0.0005","16.1999","0.0007","68.696","0.001","81.587","0.001","88.82","0.001","2006.27","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H48 B2 Cu2 F40 N6 O6 -","- C82 H48 B2 Cu2 F40 N6 O6 -","- C82 H48 B2 Cu2 F40 N6 O6 -","1","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100709","13.1013","0.0014","14.4428","0.0016","16.9894","0.0019","77.984","0.002","67.962","0.001","89.536","0.002","2905.8","0.6","98","2","98","2","","","","","","","","7","P -1","-P 1","2","[PhBP3]CoOSiPh3","","","- C72 H65 B Co O P3 Si -","- C72 H65 B Co O P3 Si -","- C144 H130 B2 Co2 O2 P6 Si2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100710","38.2238","0.0008","38.2238","0.0008","12.4091","0.0005","90","","90","","90","","18130.4","0.9","98","2","98","2","","","","","","","","6","I 41/a :2","-I 4ad","88","[PhBP3]CoO(4-tBu-Ph)","","","- C55 H54 B Co O P3 -","- C55 H54 B Co O P3 -","- C880 H864 B16 Co16 O16 P48 -","16","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100711","16.8066","0.0016","14.0767","0.0013","19.2736","0.0018","90","","113.801","0.002","90","","4172","0.7","96","","96","2","","","","","","","","6","P 1 21 1","P 2yb","4","[PhBP3]CoSPh","","","- C102 H92 B2 Co2 P6 S2 -","- C51 H46 B Co P3 S -","- C204 H184 B4 Co4 P12 S4 -","4","2","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100712","12.0158","0.0009","12.5469","0.0009","15.5078","0.0012","77.78","0.001","77.546","0.001","77.919","0.001","2198.2","0.3","100","","100","2","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoS(2,6-Me2-Ph)","","","- C53 H50 B Co P3 S -","- C53 H50 B Co P3 S -","- C106 H100 B2 Co2 P6 S2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100713","15.3738","0.0011","17.3171","0.0013","20.7953","0.0015","65.655","0.001","87.329","0.002","88.642","0.002","5038.5","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoS(2,4,6-iPr-Ph)","","","- C60 H64 B Co P3 S -","- C60 H64 B Co P3 S -","- C240 H256 B4 Co4 P12 S4 -","4","2","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100714","13.8333","0.001","13.9539","0.001","17.5922","0.0013","99.145","0.001","106.587","0.001","107.029","0.001","3000.8","0.4","96","","96","","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoS(2,4,6-tBu-Ph)","","","- C69 H76 B Co P3 S -","- C69 H76 B Co P3 S -","- C138 H152 B2 Co2 P6 S2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100715","11.0416","0.0008","12.8426","0.0009","22.3975","0.0015","87.228","0.001","81.435","0.001","73.024","0.001","3003.7","0.4","96","","96","","","","","","","","","7","P -1","-P 1","2","[PhBP3]CoSSiPh3","","","- C75 H68 B Co P3 S Si -","- C75 H68 B Co P3 S Si -","- C150 H136 B2 Co2 P6 S2 Si2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100716","12.1092","0.0011","12.3919","0.0011","21.3227","0.0019","80.696","0.002","75.993","0.002","72.962","0.001","2954","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","[PhBP3]CoO(4-NMe2-Ph)3","","","- C69 H71 B Co N3 O P3 Si -","- C69 H71 B Co N3 O P3 Si -","- C138 H142 B2 Co2 N6 O2 P6 Si2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100717","12.942","0.001","20.8485","0.0015","21.5457","0.0016","77.529","0.001","82.143","0.001","88.626","0.001","5622.9","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoOCPh3","","","- C70 H62 B Co O P3 -","- C70 H62 B Co O P3 -","- C280 H248 B4 Co4 O4 P12 -","4","2","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100718","10.3161","0.0004","14.4678","0.0006","29.963","0.0013","90","","90","","90","","4472","0.3","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[PhBPiPr3]CoSSiPh3","","","- C45 H68 B Co P3 S Si -","- C45 H68 B Co P3 S Si -","- C180 H272 B4 Co4 P12 S4 Si4 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100719","13.592","0.002","14.814","0.002","19.251","0.003","72.567","0.003","87.945","0.003","82.565","0.002","3667","0.9","100","","100","","","","","","","","","8","P -1","-P 1","2","{[PhBP3]CoOSiPh3}{BPh4}","","","- C88.5 H79 B2 Cl1.5 Co O P3 Si -","- C88.5 H79 B2 Cl3 Co O P3 Si -","- C177 H158 B4 Cl6 Co2 O2 P6 Si2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100720","23.0774","0.0018","13.6982","0.001","7.9439","0.0006","90","","90","","90","","2511.2","0.3","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","(Tp*)CoS(2,6-Me2-Ph)","","","- C23 H31 B Co N6 S -","- C23 H31 B Co N6 S -","- C92 H124 B4 Co4 N24 S4 -","4","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100721","13.4295","0.0015","14.5619","0.0017","17.357","0.002","78.183","0.002","68.286","0.002","88.981","0.002","3080.3","0.6","295","","295","","","","","","","","","7","P -1","-P 1","2","BP3CoOSiPh3 295K","","","- C72 H65 B Co O P3 Si -","- C72 H65 B Co O P3 Si -","- C144 H130 B2 Co2 O2 P6 Si2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100722","21.19","0.005","21.19","0.005","11.783","0.002","90","","90","","120","","4583.4","1.7","148","","148","","","","","","","","","7","P 64","P 64","172","[(R)-3,3'-dibromo-2,2'-binaphthoxy](di-t-butoxy)titanium(IV)","","","- C29.63 H28.63 Br2 Cl0.74 N0.63 O4 Ti -","- C29.63 H28.63 Br2 Cl0.37 N0.63 O4 Ti -","- C177.78 H171.78 Br12 Cl2.22 N3.78 O24 Ti6 -","6","1","","Tang, Hong-Zhi; Boyle, Paul D.; Novak, Bruce M.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0453533","","","","","","","0.051","","","0.048","","","","","","","","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4100723","20.576","0.004","10.621","0.002","21.728","0.004","90","","99.871","0.004","90","","4678","1","123.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H61 F3 Fe2 N6 O19 S -","- C35 H40 F3 Fe2 N6 O19 S -","- C140 H160 F12 Fe8 N24 O76 S4 -","4","0.5","","Xi Zhang","Models for Peroxo Intermediates of Non-Heme Diiron Enzymes Structural and Spectroscopic Characterization of (_-Hydroxo or_-oxo)(_-peroxo)diiron(III) Complexes having a Terminal Carboxylate","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100724","14.863","0.003","21.036","0.004","21.788","0.004","90","","90.732","0.005","90","","6811","2","123.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64.5 H91 B Cl4 Fe2 N6 O13.5 -","- C64.5 H57 B Cl4 Fe2 N6 O13.5 -","- C258 H228 B4 Cl16 Fe8 N24 O54 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100725","15.92","0.004","15.912","0.004","21.288","0.005","90","","93.77","0.006","90","","5381","2","123.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H58 Fe2 N6 O14.5 -","- C35.5 H40 Fe2 N6 O14.5 -","- C142 H160 Fe8 N24 O58 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100726","10.8781","0.0002","15.8369","0.0002","33.7208","0.0003","90","","90.7775","0.0003","90","","5808.73","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H77.6 Cl N5 O10.8 -","- C54 H77.6 Cl N5 O10.8 -","- C216 H310.4 Cl4 N20 O43.2 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100727","16.0174","0.0001","10.3218","0.0001","35.6876","0.0003","90","","100.833","0.0004","90","","5795.03","0.08","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H84 Cl N5 O12 -","- C58 H84 Cl N5 O12 -","- C232 H336 Cl4 N20 O48 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100728","10.8811","0.0001","16.0952","0.0002","33.5237","0.0004","90","","90.6073","0.0004","90","","5870.79","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H76 Br N5 O10 -","- C54 H76 Br N5 O10 -","- C216 H304 Br4 N20 O40 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100729","11.0374","0.0001","21.5071","0.0003","22.7595","0.0003","90","","100.948","0.0005","90","","5304.38","0.11","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H77 Cl N4 O10 -","- C54 H77 Cl N4 O10 -","- C216 H308 Cl4 N16 O40 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100730","18.2136","0.0013","18.2136","0.0013","18.2136","0.0013","90","","90","","90","","6042.1","0.7","233","2","233","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- H5 In7 Na5 O6 P0 S13 -","- H12 In7 Na5 O6 S13 -","- H96 In56 Na40 O48 S104 -","8","0.0833333","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050281g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100731","12.36","0.0008","13.2216","0.0009","28.7939","0.0019","90","","93.0864","0.0012","90","","4698.6","0.5","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H56 P2 Rh -","- C60 H56 P2 Rh -","- C240 H224 P8 Rh4 -","4","1","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja0502831","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100732","11.479","0.003","19.374","0.005","17.234","0.005","90","","91.107","0.005","90","","3832.1","1.7","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H47 P4 Rh -","- C43 H47 P4 Rh -","- C172 H188 P16 Rh4 -","4","1","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja0502831","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100733","11.3614","0.0008","14.4508","0.0007","17.8885","0.0011","90","","90.313","0.004","90","","2936.9","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H52 N2 P2 Ru Si2 -","- C22 H52 N2 P2 Ru Si2 -","- C88 H208 N8 P8 Ru4 Si8 -","4","2","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja050361k","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100734","9.947","0.002","12.591","0.003","7.808","0.002","90","","95.54","0.006","90","","973.3","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 B F3 N0 O2 -","- C9 H10 B F3 O2 -","- C36 H40 B4 F12 O8 -","4","1","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja050543e","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100735","6.018","0.0018","14.64","0.004","11.003","0.003","90","","92.89","0.006","90","","968.2","0.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 B F3 N O3 -","- C8 H7 B F3 N O3 -","- C32 H28 B4 F12 N4 O12 -","4","1","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja050543e","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100736","17.998","0.003","13.063","0.002","18.084","0.003","90","","90","","90","","4251.7","1.1","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 Cl6 O3 Sb -","- C14 H19 Cl6 O3 Sb -","- C112 H152 Cl48 O24 Sb8 -","8","1","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja050830i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100737","10.408","0.0019","12.304","0.002","18.297","0.003","90","","97.015","0.003","90","","2325.5","0.7","208","2","208","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 Cl6 O4 Sb -","- C14 H25 Cl6 O4 Sb -","- C56 H100 Cl24 O16 Sb4 -","4","1","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja050830i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100738","9.8085","0.0002","30.7978","0.0007","10.1626","0.0002","90","","99.5875","0.001","90","","3027.04","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 Ca N4 O Si2 -","- C24 H46 Ca N4 O Si2 -","- C96 H184 Ca4 N16 O4 Si8 -","4","1","","He, Xuyang; Allan, John F.; Noll, Bruce C.; Henderson, Kenneth W.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051050c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100739","22.1186","0.0003","17.4676","0.0003","24.4576","0.0004","90","","103.381","0.001","90","","9192.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76.4 H144.39 Ca3 N3 O10.39 Si6 -","- C75.182 H129 Ca3 N3 O10.394 Si6 -","- C300.728 H516 Ca12 N12 O41.576 Si24 -","4","1","","He, Xuyang; Allan, John F.; Noll, Bruce C.; Henderson, Kenneth W.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051050c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100740","12.221","0.0003","30.8573","0.0007","15.7275","0.0004","90","","93.785","0.001","90","","5918","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H94 Ca K N3 O7 Si6 -","- C41 H94 Ca K N3 O7 Si6 -","- C164 H376 Ca4 K4 N12 O28 Si24 -","4","1","","He, Xuyang; Allan, John F.; Noll, Bruce C.; Henderson, Kenneth W.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051050c","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100741","17.422","0.003","17.076","0.002","15.536","0.002","90","","90","","90","","4622.2","1.1","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H70 Mg2 N2 O4 Si4 -","- C38 H70 Mg2 N2 O4 Si4 -","- C152 H280 Mg8 N8 O16 Si16 -","4","0.5","","He, Xuyang; Allan, John F.; Noll, Bruce C.; Henderson, Kenneth W.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051050c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100742","10.654","0.0018","14.514","0.003","16.899","0.003","64.694","0.003","88.776","0.005","89.879","0.005","2361.8","0.7","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H66 N2 O9 S Si -","- C46.5 H66 N2 O9 S Si -","- C93 H132 N4 O18 S2 Si2 -","2","1","","He, Xuyang; Allan, John F.; Noll, Bruce C.; Henderson, Kenneth W.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0510616","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100743","8.124","0.002","12.92","0.003","15.721","0.004","90","","90.069","0.004","90","","1650","0.7","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H48 O8 -","- C38 H48 O8 -","- C76 H96 O16 -","2","1","","Zhang, Liming; Kozmin, Sergey A.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051110e","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100744","9.061","0.0003","31.43","0.0014","14.416","0.0006","90","","124.561","0.003","90","","3381","0.2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H63 Al Si3 -","- C27 H63 Al Si3 -","- C108 H252 Al4 Si12 -","4","1","","Zhang, Liming; Kozmin, Sergey A.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051814o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100745","9.078","0.0003","31.325","0.0018","14.412","0.0008","90","","124.835","0.004","90","","3363.9","0.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H63 Ga Si3 -","- C27 H63 Ga Si3 -","- C108 H252 Ga4 Si12 -","4","1","","Zhang, Liming; Kozmin, Sergey A.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051814o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100746","12.212","0.0005","14.966","0.0007","16.599","0.0009","85.441","0.003","84.227","0.003","83.41","0.003","2991.3","0.2","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H102 Al K N2 O6 Si3 -","- C48 H102 Al K N2 O6 Si3 -","- C96 H204 Al2 K2 N4 O12 Si6 -","2","1","","Zhang, Liming; Kozmin, Sergey A.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051814o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100747","6.4552","0.0008","14.6777","0.0018","11.1916","0.0014","90","","102.127","0.003","90","","1036.7","0.2","180","2","180","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H23 Cl N2 O2 Ru S -","- C22 H23 Cl N2 O2 Ru S -","- C44 H46 Cl2 N4 O4 Ru2 S2 -","2","1","","Jérôme Hannedouche; Guy J. Clarkson; Martin Wills","A New Class of ""Tethered"" Ruthenium(II) Catalyst for Asymmetric Transfer Hydrogenation Reactions","Journal of the American Chemical Society","2004","126","","986","987","10.1021/ja0392768","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100748","10.627","0.001","12.109","0.001","10.746","0.001","90","","113.193","0.001","90","","1271.2","0.2","118.2","","118.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H45 N Zr -","- C29 H45 N Zr -","- C58 H90 N2 Zr2 -","2","1","","Helen M. Hoyt; Forrest E. Michael; Robert G. Bergman","C-H Bond Activation of Hydrocarbons by an Imidozirconocene Complex","Journal of the American Chemical Society","2004","126","","1018","1019","10.1021/ja0385944","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100749","10.875","0.001","14.488","0.002","16.803","0.002","90","","93.866","0.002","90","","2641.3","0.6","123.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H45 N Si Zr -","- C28 H45 N Si Zr -","- C112 H180 N4 Si4 Zr4 -","4","1","","Helen M. Hoyt; Forrest E. Michael; Robert G. Bergman","C-H Bond Activation of Hydrocarbons by an Imidozirconocene Complex","Journal of the American Chemical Society","2004","126","","1018","1019","10.1021/ja0385944","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100750","9.4742","0.0004","13.8006","0.0006","19.2257","0.0008","90","","101.227","0.001","90","","2465.6","0.2","153.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H38 N Zr -","- C29 H38 N2 Zr -","- C116 H152 N8 Zr4 -","4","1","","Helen M. Hoyt; Forrest E. Michael; Robert G. Bergman","C-H Bond Activation of Hydrocarbons by an Imidozirconocene Complex","Journal of the American Chemical Society","2004","126","","1018","1019","10.1021/ja0385944","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100751","17.318","0.001","8.644","0.0006","33.192","0.002","89","","89","","90","","4968","1","123.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H33 F5 N2 Zr -","- C29 H33 F5 N2 Zr -","- C232 H264 F40 N16 Zr8 -","8","1","","Helen M. Hoyt; Forrest E. Michael; Robert G. Bergman","C-H Bond Activation of Hydrocarbons by an Imidozirconocene Complex","Journal of the American Chemical Society","2004","126","","1018","1019","10.1021/ja0385944","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100752","17.435","0.002","19.005","0.002","20.564","0.002","102.42","0.01","100.449","0.01","94.71","0.01","6491.9","1.2","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C261 H166 N34 O36 -","- C279 H262 N33 O35 -","- C279 H262 N33 O35 -","1","1","","Hua Jiang; Christel Dolain; Jean-Michel Léger; Heinz Gornitzka; Ivan Huc","Switching of Chiral Induction in Helical Aromatic Oligoamides Using Solid State-Solution State Equilibrium","Journal of the American Chemical Society","2004","126","","1034","1035","10.1021/ja039511m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100753","40.652","0.008","40.652","0.008","14.256","0.004","90","","90","","120","","20403","8","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C33 H61 N4 O3 Si4 U -","- C32.5 H54 N4 O3 Si4 U -","- C585 H972 N72 O54 Si72 U18 -","18","1","","Mark J. Sarsfield; Madeleine Helliwell","Extending the Chemistry of the Uranyl Ion: Lewis Acid Coordination to a UO Oxygen","Journal of the American Chemical Society","2004","126","","1036","1037","10.1021/ja039101y","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100754","13.4316","0.001","15.6084","0.0012","17.2314","0.0013","112.095","0.001","93.246","0.001","112.454","0.001","3007.6","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H58.5 B F15 N4 O2 Si4 U -","- C54.5 H58.5 B F15 N4 O2 Si4 U -","- C109 H117 B2 F30 N8 O4 Si8 U2 -","2","1","","Mark J. Sarsfield; Madeleine Helliwell","Extending the Chemistry of the Uranyl Ion: Lewis Acid Coordination to a UO Oxygen","Journal of the American Chemical Society","2004","126","","1036","1037","10.1021/ja039101y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100755","7.9334","0.0016","35.541","0.008","13.126","0.003","90","","90.061","0.004","90","","3700.9","1.4","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H15 Br O5 S -","- C20 H15 Br O5 S -","- C160 H120 Br8 O40 S8 -","8","4","","J. Adam McCubbin; Xia Tong; Ruiyao Wang; Yue Zhao; Victor Snieckus; Robert P. Lemieux","Directed Metalation Route to Ferroelectric Liquid Crystals with a Chiral Fluorenol Core: The Effect of Restricted Rotation on Polar Order","Journal of the American Chemical Society","2004","126","","1161","1167","10.1021/ja038920f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100756","9.933","0.009","16.926","0.016","16.484","0.015","90","","105.77","0.02","90","","2667","4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 F3 O3 P Pd S -","- C25 H38 F3 O3 P Pd S -","- C100 H152 F12 O12 P4 Pd4 S4 -","4","1","","James P. Stambuli; Christopher D. Incarvito; Michael Bühl; John F. Hartwig","Synthesis, Structure, Theoretical Studies, and Ligand Exchange Reactions of Monomeric, T-Shaped Arylpalladium(II) Halide Complexes with an Additional, Weak Agostic Interaction","Journal of the American Chemical Society","2004","126","","1184","1194","10.1021/ja037928m","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100757","8.7046","0.0017","17.837","0.004","12.781","0.003","90","","93.54","0.03","90","","1980.6","0.7","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 Br P Pd -","- C18 H32 Br P Pd -","- C72 H128 Br4 P4 Pd4 -","4","1","","James P. Stambuli; Christopher D. Incarvito; Michael Bühl; John F. Hartwig","Synthesis, Structure, Theoretical Studies, and Ligand Exchange Reactions of Monomeric, T-Shaped Arylpalladium(II) Halide Complexes with an Additional, Weak Agostic Interaction","Journal of the American Chemical Society","2004","126","","1184","1194","10.1021/ja037928m","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100758","15.38","0.003","18.945","0.004","17.221","0.003","90","","116.14","0.03","90","","4504.4","1.6","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 Br Fe P Pd -","- C54 H52 Br Fe P Pd -","- C216 H208 Br4 Fe4 P4 Pd4 -","4","1","","James P. Stambuli; Christopher D. Incarvito; Michael Bühl; John F. Hartwig","Synthesis, Structure, Theoretical Studies, and Ligand Exchange Reactions of Monomeric, T-Shaped Arylpalladium(II) Halide Complexes with an Additional, Weak Agostic Interaction","Journal of the American Chemical Society","2004","126","","1184","1194","10.1021/ja037928m","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100759","12.7858","0.0005","21.2972","0.0008","5.1864","0.0002","90","","90","","90","","1412.27","0.09","104","2","104","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H16 Cu Mn N2 O11 -","- C7 H16 Cu Mn N2 O11 -","- C28 H64 Cu4 Mn4 N8 O44 -","4","0.5","","Sébastien Pillet; Mohamed Souhassou; Corine Mathonière; Claude Lecomte","Electron Density Distribution of an Oxamato Bridged Mn(II)-Cu(II) Bimetallic Chain and Correlation to Magnetic Properties","Journal of the American Chemical Society","2004","126","","1219","1228","10.1021/ja030279u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100760","8.0836","0.0004","8.643","0.0004","14.6083","0.0007","88.564","0.002","86.5951","0.0018","85.039","0.002","1014.84","0.08","150","1","150","1","","","","","","","","9","P -1","-P 1","2","","","","- C11 H19 Cl2 F3 N3 O3 P S Si -","- C11 H19 Cl2 F3 N3 O3 P S Si -","- C22 H38 Cl4 F6 N6 O6 P2 S2 Si2 -","2","1","","Eric Rivard; Keith Huynh; Alan J. Lough; Ian Manners","Donor-Stabilized Cations and Imine Transfer from N-Silylphosphoranimines","Journal of the American Chemical Society","2004","126","","2286","2287","10.1021/ja039549z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100761","9.6148","0.0019","14.361","0.003","15.621","0.003","90","","91.421","0.001","90","","2156.2","0.8","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl N O4 -","- C25 H26 Cl N O4 -","- C100 H104 Cl4 N4 O16 -","4","1","","Patrick D. Pohlhaus; Roy K. Bowman; Jeffrey S. Johnson","Lewis Acid-Promoted Carbon-Carbon Bond Cleavage of Aziridines: Divergent Cycloaddition Pathways of the Derived Ylides","Journal of the American Chemical Society","2004","126","","2294","2295","10.1021/ja0397963","","","","","","","0.047","","","0.055","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100762","8.7338","0.0012","12.7194","0.0017","18.17","0.002","90","","90","","90","","2018.5","0.5","218","2","218","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 F5 I Ir P -","- C16 H24 F5 I Ir P -","- C64 H96 F20 I4 Ir4 P4 -","4","1","","Russell P. Hughes; Roman B. Laritchev; Lev N. Zakharov; Arnold L. Rheingold","Reductive Activation of Carbon-Fluorine Bonds in Perfluoroalkyl Ligands: An Unexpected Route to the Only Known Tetrafluorobutatriene Transition Metal Complex: Ir(η5-C5Me5)(PMe3)(2,3-η2-CF2CCCF2)","Journal of the American Chemical Society","2004","126","","2308","2309","10.1021/ja031598o","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100763","14.8099","0.0008","10.7468","0.0006","12.6011","0.0007","90","","110.006","0.0011","90","","1884.56","0.18","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 F4 Ir P -","- C17 H24 F4 Ir P -","- C68 H96 F16 Ir4 P4 -","4","1","","Russell P. Hughes; Roman B. Laritchev; Lev N. Zakharov; Arnold L. Rheingold","Reductive Activation of Carbon-Fluorine Bonds in Perfluoroalkyl Ligands: An Unexpected Route to the Only Known Tetrafluorobutatriene Transition Metal Complex: Ir(η5-C5Me5)(PMe3)(2,3-η2-CF2CCCF2)","Journal of the American Chemical Society","2004","126","","2308","2309","10.1021/ja031598o","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100764","18.4013","0.0007","12.0982","0.0005","22.3482","0.0008","90","","90","","90","","4975.2","0.3","130","2","130","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C59 H57 Cl N2 P2 Ru -","- C58.994 H56.994 Cl N2 P2 Ru -","- C235.976 H227.976 Cl4 N8 P8 Ru4 -","4","1","","Christine Bibal; Maren Pink; Yegor D. Smurnyy; John Tomaszewski; Kenneth G. Caulton","Multifunctional Behavior by a Bis-(phosphinimino)methanide Ligand: η2- vs η3-coordination vs Bronsted Basicity","Journal of the American Chemical Society","2004","126","","2312","2313","10.1021/ja039711y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100765","8.029","0.0016","11.253","0.002","20.472","0.004","90","","105.38","0.03","90","","1783.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trans-[(NH3)2Pt(1,9-DimeAH-N7)2](ClO4)4*4H2O","","","- C14 H26 Cl4 N12 O20 Pt -","- C14 H26 Cl4 N12 O20 Pt -","- C28 H52 Cl8 N24 O40 Pt2 -","2","0.5","","Michael Roitzsch; Bernhard Lippert","Metal Coordination and Imine-Amine Hydrogen Bonding as the Source of Strongly Shifted Adenine pKa Values","Journal of the American Chemical Society","2004","126","","2421","2424","10.1021/ja038834f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100766","13.026","0.003","21.698","0.004","19.871","0.004","90","","96.78","0.03","90","","5577","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trans-[(NH3)2Pt(1,9-DimeAH-N7)(1,9-DimeA-N7)](ClO4)3*1.5H2O","","","- C14 H25 Cl3 N12 O13.5 Pt -","- C14 H25 Cl3 N12 O13.5 Pt -","- C112 H200 Cl24 N96 O108 Pt8 -","8","2","","Michael Roitzsch; Bernhard Lippert","Metal Coordination and Imine-Amine Hydrogen Bonding as the Source of Strongly Shifted Adenine pKa Values","Journal of the American Chemical Society","2004","126","","2421","2424","10.1021/ja038834f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100767","8.427","0.0017","12.633","0.003","13.015","0.003","101.34","0.03","100.41","0.03","101.76","0.03","1294.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","trans-[(NH3)2Pt(1,9-DimeA-N7)2](ClO4)2*H2O","","","- C14 H26 Cl2 N12 O9 Pt -","- C14 H26 Cl2 N12 O9 Pt -","- C28 H52 Cl4 N24 O18 Pt2 -","2","1","","Michael Roitzsch; Bernhard Lippert","Metal Coordination and Imine-Amine Hydrogen Bonding as the Source of Strongly Shifted Adenine pKa Values","Journal of the American Chemical Society","2004","126","","2421","2424","10.1021/ja038834f","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100768","12.807","0.002","15.541","0.002","12.621","0.001","109.209","0.004","109.749","0.005","80.477","0.005","2228.5","0.4","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H43 N8 O10 P Zn2 -","- C46 H41 N7 O7 P Zn2 -","- C92 H82 N14 O14 P2 Zn4 -","2","1","","Akio Ojida; Yasuko Mito-oka; Kazuki Sada; Itaru Hamachi","Molecular Recognition and Fluorescence Sensing of Monophosphorylated Peptides in Aqueous Solution by Bis(zinc(II)-dipicolylamine)-Based Artificial Receptors","Journal of the American Chemical Society","2004","126","","2454","2463","10.1021/ja038277x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100769","26.4164","0.0005","26.4164","0.0005","13.6104","0.0002","90","","90","","120","","8225.2","0.3","150","1","150","1","","","","","","","","5","P 63","P 6c","173","","","","- C132 H234 O21 P12 Pt6 -","- C132 H216 O21.03 P12 Pt6 -","- C264 H432 O42.06 P24 Pt12 -","2","0.333333","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100770","26.2312","0.0009","26.2312","0.0009","14.5061","0.0005","90","","90","","120","","8644.1","0.5","150","1","150","1","","","","","","","","6","P 63","P 6c","173","","","","- C140 H218 Cl6 O12 P12 Pt6 -","- C139.99 H217.99 Cl5.97 O12 P12 Pt6 -","- C279.98 H435.98 Cl11.94 O24 P24 Pt12 -","2","0.333333","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100771","65.582","0.0013","13.9473","0.0003","18.5091","0.0004","90","","96.5331","0.0008","90","","16820.2","0.6","150","1","150","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C95 H147 Cl9 O8 P8 Pt4 -","- C95 H147 Cl9 O8 P8 Pt4 -","- C570 H882 Cl54 O48 P48 Pt24 -","6","1.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100772","17.2967","0.0002","21.7453","0.0002","26.3952","0.0003","90","","90","","90","","9927.81","0.19","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C90 H146 N2 O10 P8 Pt4 -","- C90 H146 N2 O10 P8 Pt4 -","- C360 H584 N8 O40 P32 Pt16 -","4","0.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100773","12.293","0.0002","13.3346","0.0002","18.4568","0.0003","83.6936","0.0011","82.6978","0.0009","63.396","0.001","2678.43","0.07","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C90 H146 Cl6 O8 P8 Pt4 -","- C90 H146 Cl6 O8 P8 Pt4 -","- C90 H146 Cl6 O8 P8 Pt4 -","1","0.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100774","10.1898","0.0001","17.496","0.0004","20.0771","0.0004","65.8038","0.0009","89.45","0.0012","88.8228","0.0013","3264.21","0.1","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C108 H156 Cl12 O8 P8 Pt4 -","- C108 H156 Cl12 O8 P8 Pt4 -","- C108 H156 Cl12 O8 P8 Pt4 -","1","0.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100775","10.237","0.0003","15.5079","0.0004","21.7184","0.0007","110.764","0.0015","92.4544","0.0021","102.612","0.0018","3118.72","0.16","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C107 H155 Cl9 N4 O8 P8 Pt4 -","- C107 H155 Cl9 N4 O8 P8 Pt4 -","- C107 H155 Cl9 N4 O8 P8 Pt4 -","1","0.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100776","40.5363","0.0008","7.6077","0.0001","10.7656","0.0002","90","","96.553","0.002","90","","3298.29","0.1","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C128 H208 O24 -","8","2","","Svetlana A. Burova; Frank E. McDonald","Total Synthesis of the Polyene-Polyol Macrolide RK-397, Featuring Cross-Couplings of Alkynylepoxide Modules","Journal of the American Chemical Society","2004","126","","2495","2500","10.1021/ja039618+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100777","16.827","0.003","11.191","0.002","34.119","0.007","90","","99.31","0.03","90","","6340","2","301","2","301","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 Cl3 F6 N4 P Ru -","- C25 H44 Cl3 F6 N4 P Ru -","- C200 H352 Cl24 F48 N32 P8 Ru8 -","8","2","","Chun-Yuen Wong; Chi-Ming Che; Michael C. W. Chan; King-Hung Leung; David Lee Phillips; Nianyong Zhu","Probing the Ruthenium-Cumulene Bonding Interaction: Synthesis and Spectroscopic Studies of Vinylidene- and Allenylidene-Ruthenium Complexes Supported by Tetradentate Macrocyclic Tertiary Amine and Comparisons with Diphosphine Analogues of Ruthenium and Osmium","Journal of the American Chemical Society","2004","126","","2501","2514","10.1021/ja0380648","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100778","10.599","0.002","9.24","0.0018","18.651","0.004","90","","93.14","0.03","90","","1823.8","0.6","301","2","301","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C32 H50 Cl3 F6 N4 P Ru -","- C32 H50 Cl3 F6 N4 P Ru -","- C64 H100 Cl6 F12 N8 P2 Ru2 -","2","1","","Chun-Yuen Wong; Chi-Ming Che; Michael C. W. Chan; King-Hung Leung; David Lee Phillips; Nianyong Zhu","Probing the Ruthenium-Cumulene Bonding Interaction: Synthesis and Spectroscopic Studies of Vinylidene- and Allenylidene-Ruthenium Complexes Supported by Tetradentate Macrocyclic Tertiary Amine and Comparisons with Diphosphine Analogues of Ruthenium and Osmium","Journal of the American Chemical Society","2004","126","","2501","2514","10.1021/ja0380648","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100779","8.875","0.002","11.351","0.002","33.375","0.007","90","","90","","90","","3362.2","1.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 Cl F6 N4 P Ru -","- C31 H46 Cl F6 N4 P Ru -","- C124 H184 Cl4 F24 N16 P4 Ru4 -","4","1","","Chun-Yuen Wong; Chi-Ming Che; Michael C. W. Chan; King-Hung Leung; David Lee Phillips; Nianyong Zhu","Probing the Ruthenium-Cumulene Bonding Interaction: Synthesis and Spectroscopic Studies of Vinylidene- and Allenylidene-Ruthenium Complexes Supported by Tetradentate Macrocyclic Tertiary Amine and Comparisons with Diphosphine Analogues of Ruthenium and Osmium","Journal of the American Chemical Society","2004","126","","2501","2514","10.1021/ja0380648","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100780","14.517","0.003","31.896","0.006","10.38","0.002","90","","133.14","0.03","90","","3507.1","1.2","301","2","301","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H50 Cl F6 N4 P Ru -","- C33 H50 Cl F6 N4 P Ru -","- C132 H200 Cl4 F24 N16 P4 Ru4 -","4","0.5","","Chun-Yuen Wong; Chi-Ming Che; Michael C. W. Chan; King-Hung Leung; David Lee Phillips; Nianyong Zhu","Probing the Ruthenium-Cumulene Bonding Interaction: Synthesis and Spectroscopic Studies of Vinylidene- and Allenylidene-Ruthenium Complexes Supported by Tetradentate Macrocyclic Tertiary Amine and Comparisons with Diphosphine Analogues of Ruthenium and Osmium","Journal of the American Chemical Society","2004","126","","2501","2514","10.1021/ja0380648","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100781","15.7889","0.0011","18.3915","0.0012","19.4754","0.0013","71.026","0.001","73.109","0.001","89.8","0.001","5091.4","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C123 H127 Co N7 Si -","- C123 H118 Co N7 Si -","- C246 H236 Co2 N14 Si2 -","2","1","","Bobby Ramdhanie; Joshua Telser; Andrea Caneschi; Lev N. Zakharov; Arnold L. Rheingold; David P. Goldberg","An Example of O2 Binding in a Cobalt(II) Corrole System and High-Valent Cobalt-Cyano and Cobalt-Alkynyl Complexes","Journal of the American Chemical Society","2004","126","","2515","2525","10.1021/ja036983s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100782","9.6251","0.0017","10.1925","0.0018","15.986","0.003","84.335","0.003","78.348","0.004","89.358","0.003","1528.4","0.5","496","2","496","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H27 N9 O13 Pt2 -","- C15 H27 N9 O13 Pt2 -","- C30 H54 N18 O26 Pt4 -","2","1","","Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto","Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes","Journal of the American Chemical Society","2004","126","","2536","2545","10.1021/ja0302634","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100783","9.6133","0.0006","10.0893","0.0007","17.1561","0.0011","106.867","0.001","100.741","0.001","93.34","0.001","1553.3","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14.5 H43 N9 O13.5 Pt2 -","- C13 N9 O12 Pt2 -","- C26 N18 O24 Pt4 -","2","1","","Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto","Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes","Journal of the American Chemical Society","2004","126","","2536","2545","10.1021/ja0302634","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100784","9.5166","0.0015","10.1385","0.0017","16.124","0.003","84.358","0.003","78.82","0.003","88.152","0.003","1518.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H41 N10 O17 Pt2 -","- C15 N9 O13 Pt2 -","- C30 N18 O26 Pt4 -","2","1","","Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto","Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes","Journal of the American Chemical Society","2004","126","","2536","2545","10.1021/ja0302634","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100785","9.4625","0.0004","10.0973","0.0004","30.1278","0.0012","90","","96.449","0.001","90","","2860.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H39 N9 O13 Pt2 -","- C14 N9 O13 Pt2 -","- C56 N36 O52 Pt8 -","4","1","","Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto","Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes","Journal of the American Chemical Society","2004","126","","2536","2545","10.1021/ja0302634","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100786","9.807","0.008","10.045","0.008","14.724","0.011","88.363","0.014","82.96","0.012","84.854","0.014","1433.5","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H39 N9 O12 Pt2 -","- C14 N9 O12 Pt2 -","- C28 N18 O24 Pt4 -","2","1","","Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto","Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes","Journal of the American Chemical Society","2004","126","","2536","2545","10.1021/ja0302634","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100787","10.134","0.001","10.2","0.001","19.395","0.001","90","","90","","90","","2004.8","0.3","120","2","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C6 H27 F6 N5 O5 P2 Ru -","- C6 H27 F6 N5 O5 P2 Ru -","- C24 H108 F24 N20 O20 P8 Ru4 -","4","1","","Rose Maria Carlos; Daniel Rodrigues Cardoso; Eduardo Ernesto Castellano; Renata Zachi Osti; Ademir João Camargo; Luis Guilherme Macedo; Douglas Wagner Franco","Reactivity of Radicals Generated on Irradiation of trans-[Ru(NH3)4(NO2)P(OEt)3](PF6)","Journal of the American Chemical Society","2004","126","","2546","2555","10.1021/ja0373263","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100788","15.458","0.003","14.22","0.003","14.245","0.003","90","","99.84","0.01","90","","3085.2","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H24 Gd0.5 N2 Na0.5 O7 -","- C11 H24 Gd0.5 N2 Na0.5 O7 -","- C88 H192 Gd4 N16 Na4 O56 -","8","1","","Weisheng Liu; Tianquan Jiao; Yizhi Li; Quanzhong Liu; Minyu Tan; Hong Wang; Liufang Wang","Lanthanide Coordination Polymers and Their Ag±Modulated Fluorescence","Journal of the American Chemical Society","2004","126","","2280","2281","10.1021/ja036635q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100789","10.1889","0.0013","11.05","0.003","19.46","0.002","87.09","0.03","77.37","0.02","89.02","0.02","2135.1","0.7","93.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Masaki Horie; Yuji Suzaki; Kohtaro Osakada","Formation of Pseudorotaxane Induced by Electrochemical Oxidation of Ferrocene-Containing Axis Molecule in the Presence of Crown Ether","Journal of the American Chemical Society","2004","126","","3684","3685","10.1021/ja039899l","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100790","10.5206","0.0008","19.82","0.002","13.2299","0.0002","90","","101.937","0.0003","90","","2699","0.3","295.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 B N7 O2 Ru -","- C27 H26 B N7 O2 Ru -","- C108 H104 B4 N28 O8 Ru4 -","4","1","","Yasuhiro Arikawa; Yoshimasa Nishimura; Kenta Ikeda; Masayoshi Onishi","Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration Products","Journal of the American Chemical Society","2004","126","","3706","3707","10.1021/ja039365k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100791","24.981","0.004","14.817","0.002","15.9869","0.0004","90","","114.257","0.0008","90","","5395","1","296.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H26 B N7 O2 Ru -","- C27 H26 B N7 O2 Ru -","- C216 H208 B8 N56 O16 Ru8 -","8","1","","Yasuhiro Arikawa; Yoshimasa Nishimura; Kenta Ikeda; Masayoshi Onishi","Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration Products","Journal of the American Chemical Society","2004","126","","3706","3707","10.1021/ja039365k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100792","9.163","0.002","12.631","0.003","13.078","0.003","76.4","0.01","89.411","0.003","78.864","0.002","1442.5","0.6","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 B N7 O4 Ru -","- C27 H24 B N7 O4 Ru -","- C54 H48 B2 N14 O8 Ru2 -","2","1","","Yasuhiro Arikawa; Yoshimasa Nishimura; Kenta Ikeda; Masayoshi Onishi","Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration Products","Journal of the American Chemical Society","2004","126","","3706","3707","10.1021/ja039365k","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100793","23.365","0.004","10.161","0.0008","23.375","0.001","90","","101.44","0.001","90","","5439","1","295.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 B N7 O2 Ru -","- C25 H22 B N7 O2 Ru -","- C200 H176 B8 N56 O16 Ru8 -","8","1","","Yasuhiro Arikawa; Yoshimasa Nishimura; Kenta Ikeda; Masayoshi Onishi","Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration Products","Journal of the American Chemical Society","2004","126","","3706","3707","10.1021/ja039365k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100794","9.7951","0.0009","15.3104","0.0013","18.4426","0.0017","101.362","0.002","104.892","0.002","92.428","0.002","2607.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H56 N8 O10 -","- C52 H56 N8 O10 -","- C104 H112 N16 O20 -","2","1","","Yoshihiko Yamamoto; Jun-ichi Ishii; Hisao Nishiyama; Kenji Itoh","Ru(II)-Catalyzed Chemo- and Regioselective Cyclotrimerization of Three Unsymmetrical Alkynes through Boron Temporary Tether. One-Pot Four-Component Coupling via Cyclotrimerization/Suzuki-Miyaura Coupling","Journal of the American Chemical Society","2004","126","","3712","3713","10.1021/ja049673y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100795","9.7618","0.001","11.1373","0.0012","13.994","0.002","75.116","0.007","88.385","0.005","81.432","0.004","1453.9","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 N O3 Si -","- C35 H27 N O3 Si -","- C70 H54 N2 O6 Si2 -","2","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100796","12.16","0.0009","8.938","0.0007","27.063","0.002","90","","95.257","0.004","90","","2929","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N O Si -","- C36 H27 N O Si -","- C144 H108 N4 O4 Si4 -","4","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100797","12.8027","0.0003","12.3508","0.0003","19.4729","0.0005","90","","104.243","0.002","90","","2984.48","0.13","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N2 O2 Si -","- C36 H30 N2 O2 Si -","- C144 H120 N8 O8 Si4 -","4","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100798","13.56","0.001","11.1079","0.0009","20.257","0.002","90","","97.208","0.004","90","","3027.1","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 N2 Si -","- C37 H30 N2 Si -","- C148 H120 N8 Si4 -","4","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100799","21.4414","0.0002","14.376","0.0003","9.1017","0.0005","90","","90","","90","","2805.52","0.17","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H26 N2 O2 Si -","- C34 H26 N2 O2 Si -","- C136 H104 N8 O8 Si4 -","4","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100800","21.8115","0.0004","14.0448","0.0002","9.2118","0.0001","90","","90","","90","","2821.93","0.07","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C35 H26 N2 Si -","- C35 H26 N2 Si -","- C140 H104 N8 Si4 -","4","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100801","41.7907","0.0009","7.5006","0.0001","17.4735","0.0003","90","","90","","90","","5477.16","0.17","293","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C35 H28 O Si -","- C35 H28 O Si -","- C280 H224 O8 Si8 -","8","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100802","10.425","0.002","10.502","0.002","10.984","0.002","76.11","0.03","83.4","0.03","66.3","0.03","1068.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Br2 N4 O4 -","- C20 H22 Br2 N4 O4 -","- C40 H44 Br4 N8 O8 -","2","1","","Phil S. Baran; Alexandros L. Zografos; Daniel P. O'Malley","Short Total Synthesis of (\±)-Sceptrin","Journal of the American Chemical Society","2004","126","","3726","3727","10.1021/ja049648s","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100803","20.363","0.002","19.4145","0.0019","13.8696","0.0013","90","","94.4","0.002","90","","5466.9","0.9","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 Fe2 N8 Ru2 -","- C60 H62 Fe2 N8 Ru2 -","- C240 H248 Fe8 N32 Ru8 -","4","1","","Guo-Lin Xu; Maria C. DeRosa; Robert J. Crutchley; Tong Ren","trans-Bis(alkynyl) Diruthenium(III) Tetra(amidinate): An Effective Facilitator of Electronic Delocalization","Journal of the American Chemical Society","2004","126","","3728","3729","10.1021/ja049915u","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100804","9.9354","0.001","11.882","0.002","12.041","0.002","90","","115.247","0.011","90","","1285.7","0.4","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 O4 -","- C11 H20 O4 -","- C44 H80 O16 -","4","1","","A. Tessa ten Cate; Huub Kooijman; Anthony L. Spek; Rint P. Sijbesma; E.W. Meijer","Conformational control in cyclization of hydrogen-bonded supramolecular polymers","Journal of the American Chemical Society","2004","126","","3801","3808","10.1021/ja039408x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100805","6.17","0.0009","9.9686","0.0015","12.025","0.003","90","","118.864","0.016","90","","647.7","0.2","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 O4 -","- C12 H22 O4 -","- C24 H44 O8 -","2","0.5","","A. Tessa ten Cate; Huub Kooijman; Anthony L. Spek; Rint P. Sijbesma; E.W. Meijer","Conformational control in cyclization of hydrogen-bonded supramolecular polymers","Journal of the American Chemical Society","2004","126","","3801","3808","10.1021/ja039408x","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100806","12.488","0.002","11.018","0.002","11.207","0.002","90","","112.319","0.01","90","","1426.5","0.4","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 O4 -","- C13 H24 O4 -","- C52 H96 O16 -","4","1","","A. Tessa ten Cate; Huub Kooijman; Anthony L. Spek; Rint P. Sijbesma; E.W. Meijer","Conformational control in cyclization of hydrogen-bonded supramolecular polymers","Journal of the American Chemical Society","2004","126","","3801","3808","10.1021/ja039408x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100807","18.3004","0.0006","10.759","0.003","11.458","0.002","90","","90","","90","","2255.9","0.8","223.2","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H18 Co N8 O8 -","- C22 H18 Co N8 O8 -","- C88 H72 Co4 N32 O32 -","4","0.5","","Kazuhiro Uemura; Susumu Kitagawa; Kôichi Fukui; Kazuya Saito","A Contrivance for a Dynamic Porous Framework: Cooperative Guest Adsorption Based on Square Grids Connected by Amide-Amide Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","3817","3828","10.1021/ja039914m","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100808","10.481","0.007","19.03","0.01","10.894","0.008","90","","90","","90","","2172","2","293.2","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C22 H16 Br2 Co N6 O2 -","- C22 H16 Br2 Co N6 O2 -","- C88 H64 Br8 Co4 N24 O8 -","4","0.25","","Kazuhiro Uemura; Susumu Kitagawa; Kôichi Fukui; Kazuya Saito","A Contrivance for a Dynamic Porous Framework: Cooperative Guest Adsorption Based on Square Grids Connected by Amide-Amide Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","3817","3828","10.1021/ja039914m","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100809","11.115","0.003","22.046","0.007","9.717","0.003","90","","100.834","0.007","90","","2338","1","293.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 Co N8 O6 S2 -","- C40 H26 Co N8 O6 S2 -","- C80 H52 Co2 N16 O12 S4 -","2","0.5","","Kazuhiro Uemura; Susumu Kitagawa; Kôichi Fukui; Kazuya Saito","A Contrivance for a Dynamic Porous Framework: Cooperative Guest Adsorption Based on Square Grids Connected by Amide-Amide Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","3817","3828","10.1021/ja039914m","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100810","7.1177","0.0001","15.9835","0.0003","12.2135","0.0002","90","","100.343","0.001","90","","1366.9","0.04","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O5 -","- C16 H13 N O5 -","- C64 H52 N4 O20 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100811","7.18","0.0001","16.0048","0.0003","12.2543","0.0002","90","","100.671","0.001","90","","1383.84","0.04","180","","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O5 -","- C16 H13 N O5 -","- C64 H52 N4 O20 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100812","7.2913","0.0001","16.0408","0.0003","12.3333","0.0002","90","","101.273","0.001","90","","1414.65","0.04","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O5 -","- C16 H13 N O5 -","- C64 H52 N4 O20 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100813","8.0343","0.0002","12.1631","0.0003","12.5018","0.0003","90","","94.9","0.002","90","","1217.24","0.05","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100814","8.0461","0.0002","12.1734","0.0002","12.5136","0.0003","90","","94.872","0.0007","90","","1221.26","0.05","125","","125","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100815","8.0738","0.0002","12.1896","0.0002","12.5397","0.0003","90","","94.782","0.0008","90","","1229.82","0.05","170","","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100816","8.1582","0.0003","12.2379","0.0004","12.6372","0.0005","90","","94.64","0.002","90","","1257.55","0.08","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100817","10.4208","0.0001","15.3407","0.0002","19.1777","0.0003","90","","90","","90","","3065.79","0.07","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100818","10.4213","0.0001","15.3544","0.0002","19.2246","0.0003","90","","90","","90","","3076.18","0.07","125","","125","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100819","10.4219","0.0001","15.3837","0.0002","19.3309","0.0003","90","","90","","90","","3099.27","0.07","175","","175","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100820","10.4126","0.0002","15.4723","0.0002","19.6515","0.0004","90","","90","","90","","3165.99","0.1","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100849","11.1012","0.0003","8.5576","0.0001","38.4579","0.0011","90","","97.6502","0.001","90","","3620.97","0.15","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H53 P Si2 Ti -","- C38 H53 P Si2 Ti -","- C152 H212 P4 Si8 Ti4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100850","6.018","0.0001","12.2151","0.0004","19.3869","0.0006","90","","92.6584","0.0018","90","","1423.61","0.07","150","1","150","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Mo -","- C17 H22 Mo -","- C68 H88 Mo4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100851","9.7526","0.0003","11.092","0.0004","12.3529","0.0004","90","","92.3555","0.0019","90","","1335.16","0.08","150","1","150","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 W -","- C16 H20 W -","- C64 H80 W4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100852","9.3925","0.0003","14.7287","0.0003","16.6544","0.0004","90","","96.6871","0.0013","90","","2288.28","0.1","150","1","150","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Ti -","- C26 H42 Ti -","- C104 H168 Ti4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100853","14.9263","0.0002","11.1737","0.0002","14.9173","0.0002","90","","109.442","0.0008","90","","2346.08","0.06","150","1","150","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Zr -","- C26 H40 Zr -","- C104 H160 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100854","11.563","0.003","5.5036","0.0013","23.814","0.006","90","","94.874","0.004","90","","1510","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N2 -","- C38 H50 N2 -","- C76 H100 N4 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100855","17.6093","0.0018","6.419","0.0006","22.173","0.002","90","","100.713","0.002","90","","2462.6","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C120 H104 N24 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100856","7.1861","0.0008","10.2628","0.0012","15.5477","0.0017","90","","90","","90","","1146.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N3 O -","- C12 H15 N3 O -","- C48 H60 N12 O4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100857","9.5472","0.0009","10.0099","0.001","10.6006","0.001","89.779","0.002","74.853","0.002","64.089","0.002","872.44","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C44 H38 N6 O2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100858","9.8358","0.0007","18.6733","0.0013","10.182","0.0007","90","","117.307","0.001","90","","1661.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N3 -","- C21 H17 N3 -","- C84 H68 N12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100859","18.363","0.004","19.578","0.004","19.987","0.004","90","","113.78","0.03","90","","6575","2","301","2","301","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65 H71 Cl N7 O7 Ru S -","- C65 H60 Cl N7 O7 Ru S -","- C260 H240 Cl4 N28 O28 Ru4 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100860","22.716","0.009","12.743","0.009","39.7","0.015","90","","92.475","0.014","90","","11482","10","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C27.38 H33.5 Cl2.5 F36 N3 O12 P6 Rh2 -","- C27.13 H33 Cl2.25 F36 N3 O12 P6 Rh2 -","- C217.04 H264 Cl18 F288 N24 O96 P48 Rh16 -","8","1","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100861","13.0479","0.0011","17.4813","0.0014","25.268","0.002","90","","100.247","0.002","90","","5671.6","0.8","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 Cl2 F36 N3 O12 P6 Rh2 -","- C26 H32 Cl2 F34.5 N3 O12 P6 Rh2 -","- C104 H128 Cl8 F138 N12 O48 P24 Rh8 -","4","1","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100862","22.496","0.004","13.547","0.002","21.382","0.004","90","","91.91","0.004","90","","6513","2","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29 H38 Cl2 F36 N4 O12 P6 Rh2 -","- C31 H41 Cl2 F36 N5 O12 P6 Rh2 -","- C124 H164 Cl8 F144 N20 O48 P24 Rh8 -","4","0.5","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100863","11.5832","0.001","12.502","0.0011","21.6206","0.0019","98.106","0.002","93.609","0.002","109.725","0.002","2897.2","0.4","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H35 Cl2 F36 N3 O12 P6 Rh2 -","- C27 H35 Cl2 F36 N3 O12 P6 Rh2 -","- C54 H70 Cl4 F72 N6 O24 P12 Rh4 -","2","1","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100864","23.8123","0.0008","23.8123","0.0008","20.0571","0.0013","90","","90","","90","","11372.9","0.9","150","2","150","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C27 H30 Cl2 F36 O12 P6 Rh2 -","- C27 H30 Cl2 F36 O12 P6 Rh2 -","- C216 H240 Cl16 F288 O96 P48 Rh16 -","8","0.5","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100865","26.8372","0.0018","27.313","0.003","38.801","0.003","90","","90","","90","","28441","4","100","2","100","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C96 H102 Cl4 F72 Ir4 O24 P12 -","- C96 H102 Cl4 F72 Ir4 O24 P12 -","- C768 H816 Cl32 F576 Ir32 O192 P96 -","8","0.25","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100866","12.2242","0.0012","21.88","0.002","27.148","0.003","91.33","0.002","102.312","0.002","90.81","0.002","7090.9","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46.25 H52 Cl2 F36 Ir2 O12 P6 -","- C46.75 H52.25 Cl2 F36 Ir2 O12 P6 -","- C187 H209 Cl8 F144 Ir8 O48 P24 -","4","2","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100867","24.408","0.002","17.8402","0.0016","15.7183","0.0014","90","","110.416","0.002","90","","6414.5","1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C39 H42 Cl2 F36 Ir2 O12 P6 -","- C39 H42 Cl2 F36 Ir2 O12 P6 -","- C156 H168 Cl8 F144 Ir8 O48 P24 -","4","1","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100868","16.226","0.002","19.218","0.003","24.237","0.003","110.279","0.003","94.226","0.003","104.932","0.003","6738.3","1.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H46 Cl3 F36 N O12 P6 Rh2 -","- C35 H46 Cl3 F36 N O12 P6 Rh2 -","- C140 H184 Cl12 F144 N4 O48 P24 Rh8 -","4","2","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100869","9.673","0.0013","9.1275","0.0012","29.259","0.004","90","","92.084","0.002","90","","2581.6","0.6","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 Cl2 F12 N4 P6 Rh2 -","- C8 H18 Cl2 F12 N4 P6 Rh2 -","- C32 H72 Cl8 F48 N16 P24 Rh8 -","4","1","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100870","13.3588","0.0016","13.3588","0.0016","31.219","0.008","90","","90","","120","","4824.8","1.4","193","2","193","2","","","","","","","","4","P 61","P 61","169","","","","- C21 H28 N6 O9 -","- C21 H28 N6 O9 -","- C126 H168 N36 O54 -","6","1","","Wilson, Scott R.; Prussak-Wieckowska, Teresa","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100871","12.9064","0.0004","12.9064","0.0004","30.2416","0.0015","90","","90","","90","","5037.5","0.3","293","2","130","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C12 H29 Co3 K O24 -","- C12 H8 Co3 K O24 -","- C96 H64 Co24 K8 O192 -","8","0.5","","Wilson, Scott R.; Prussak-Wieckowska, Teresa","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4100872","6.147","0.0004","11.4061","0.0007","20.3654","0.0016","90","","93.172","0.009","90","","1425.7","0.17","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H17 N5 O6 -","- C12 H17 N5 O6 -","- C48 H68 N20 O24 -","4","2","","Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","183277","2020-10-21","18:00:00",""
"4100873","16.497","0.003","17.251","0.004","17.531","0.004","100.58","0.03","114.69","0.03","100.46","0.03","4265.5","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C105 H74 Cl4 Fe N2 Na O10.5 -","- C105 H67 Cl4 Fe N2 Na O10.5 -","- C210 H134 Cl8 Fe2 N4 Na2 O21 -","2","1","","Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","183277","2020-10-21","18:00:00",""
"4100874","16.5031","0.0007","16.7301","0.0007","17.3222","0.0008","76.098","0.001","72.453","0.001","76.436","0.001","4358.1","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C105 H71 Cl8 Fe N2 Na O10 -","- C101 H63 Fe N2 Na O10 -","- C202 H126 Fe2 N4 Na2 O20 -","2","1","","Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","183277","2020-10-21","18:00:00",""
"4100875","12.3577","0.0002","21.2622","0.0004","19.8755","0.0003","90","","106.17","0.001","90","","5015.73","0.15","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H53 B F4 P2 Ru -","- C60 H53 B F4 P2 Ru -","- C240 H212 B4 F16 P8 Ru4 -","4","1","","Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","183277","2020-10-21","18:00:00",""
"4100876","7.227","0.002","8.653","0.002","12.729","0.003","102.354","0.004","98.757","0.004","110.608","0.004","704.9","0.3","295","2","295","2","","","","","","","","7","P -1","-P 1","2","[HBPTSMe][OTf]","","","- C7 H4 F3 N3 O3 S3 Se2 -","- C7 H4 F3 N3 O3 S3 Se2 -","- C14 H8 F6 N6 O6 S6 Se4 -","2","1","","Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4100877","4.924","0.004","12.616","0.011","15.086","0.013","90","","94.563","0.014","90","","934.1","1.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[HBPTSMe]","","","- C12 H8 N6 S4 Se4 -","- C12 H8 N6 S4 Se4 -","- C24 H16 N12 S8 Se8 -","2","0.5","","Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","183277","2020-10-21","18:00:00",""
"4100878","10.458","","14.4168","","23.8824","","90","","97.264","","90","","3571.9","0.2","28","1","28","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 Cr2 K N2 O16 -","- C28 H37 Cr2 K N2 O16 -","- C112 H148 Cr8 K4 N8 O64 -","4","1","","Piero Macchi; Daniela Donghi; Angelo Sironi","The electron density of bridging hydrides observed via experimental and theoretical investigations on [Cr2(m-H)(CO)10]-","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100879","12.0407","0.0009","17.0916","0.0013","17.268","0.0015","90","","103.062","0.006","90","","3461.7","0.5","296","1","296","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cu2 O10 S2 -","- C32 H32 Cu2 O10 S2 -","- C128 H128 Cu8 O40 S8 -","4","1","","Reyes-Ortega, Yasmi; Alcántara-Flores, José L.; Hernández-Galindo, María C.; Ramírez-Rosales, Daniel; Bernès, Sylvain; Ramírez-García, Juán C.; Zamorano-Ulloa, Rafael; Escudero, Roberto","Magnetic Properties and Crystal Structure of a One-dimensional Phase of Tetrakis(μ~2~-benzoato-O,O'-bis(dimethylsulfoxide)-di-copper(II)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100880","14.743","0.005","10.9","0.004","19.025","0.007","90","","90.526","0.006","90","","3057.2","1.8","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H41 F6 Fe2 O2 P5 S2 -","- C16 H41 F6 Fe2 O2 P5 S2 -","- C64 H164 F24 Fe8 O8 P20 S8 -","4","1","","van der Vlugt, Jarl Ivar; Rauchfuss, Thomas B.; Wilson, Scott R.","g21ca","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4100881","10.839","0.005","18.496","0.008","14.483","0.006","90","","110.333","0.006","90","","2723","2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 F6 Fe2 O3 P4 S2 -","- C14 H32 F6 Fe2 O3 P4 S2 -","- C56 H128 F24 Fe8 O12 P16 S8 -","4","1","","van der Vlugt, Jarl Ivar; Rauchfuss, Thomas B.; Wilson, Scott R.","g27ca","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100882","33.1943","0.0011","17.1237","0.0006","25.3979","0.0009","90","","109.218","0.002","90","","13631.9","0.8","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H91 F12 Fe4 N3 O4 P10 S4 -","- C38 H91 F12 Fe4 N3 O4 P10 S4 -","- C304 H728 F96 Fe32 N24 O32 P80 S32 -","8","1","","Wilson, Scott R.; Prussak-Wieckowska, Teresa","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100883","11.1005","0.0011","11.1138","0.0011","12.3051","0.0013","90","","110.71","0.002","90","","1420","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Cu(BNA)2(H2O)7","","","- C24 H28 Cu N4 O15 -","- C24 H22 Cu N4 O15 -","- C48 H44 Cu2 N8 O30 -","2","1","","Radu Custelcean","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100884","16.672","0.003","31.875","0.006","16.47","0.003","90","","105.04","0.003","90","","8453","3","188","2","188","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H99.5 F9 N1.5 O20 Ru3 S3 -","- C67.37 H83.5 F7.9 N1.5 O18.1 Ru3 S2.94 -","- C269.48 H334 F31.6 N6 O72.4 Ru12 S11.76 -","4","1","","Fairchild, Robert M.; Holman, K. Travis","Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior.","Journal of the American Chemical Society","2005","127","47","16364","16365","10.1021/ja055560i","","","0.71073","MoKα","","0.1032","0.0778","","","0.2145","0.2286","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100885","16.672","0.003","31.875","0.006","16.47","0.003","90","","105.04","0.003","90","","8453","3","188","2","188","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C0.69 H0.38 F0.07 N0.03 O0.12 Ru0.02 S0.02 -","- C0.448258 H0.545455 F0.0113636 O0.0568182 Ru0.0227273 S0.00333333 -","- C236.68 H288 F6 O30 Ru12 S1.76 -","528","132","","Fairchild, Robert M.; Holman, K. Travis","Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior.","Journal of the American Chemical Society","2005","127","47","16364","16365","10.1021/ja055560i","","","0.71073","MoKα","","0.0676","0.0546","","","0.1545","0.1611","","","","","","1.081","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100886","19.3059","0.0019","19.3059","0.0019","47.475","0.009","90","","90","","120","","15324","4","188","2","188","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C142.67 H227 F36 N25.67 O63.33 Ru6 Sb6 -","- C118.02 H144 F29.06 N12 O18.12 Ru6 Sb5 -","- C354.06 H432 F87.18 N36 O54.36 Ru18 Sb15 -","3","0.166667","","Fairchild, Robert M.; Holman, K. Travis","Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior.","Journal of the American Chemical Society","2005","127","47","16364","16365","10.1021/ja055560i","","","0.71073","MoKα","","0.1187","0.0834","","","0.2623","0.2869","","","","","","1.16","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100887","19.3059","0.0019","19.3059","0.0019","47.475","0.009","90","","90","","120","","15324","4","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C142.67 H227 F36 N25.67 O63.33 Ru6 Sb6 -","- C117 H144 F5.96 O12 Ru6 Sb -","- C351 H432 F17.88 O36 Ru18 Sb3 -","3","0.166667","","Fairchild, Robert M.; Holman, K. Travis","Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior.","Journal of the American Chemical Society","2005","127","47","16364","16365","10.1021/ja055560i","","","0.71073","MoKα","","0.0665","0.0533","","","0.1481","0.1542","","","","","","0.951","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100888","16.2016","0.0017","8.6614","0.0009","17.9532","0.0019","90","","98.067","0.002","90","","2494.4","0.5","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl F3 N2 O3 Ru S -","- C22 H30 Cl F3 N2 O3 Ru S -","- C88 H120 Cl4 F12 N8 O12 Ru4 S4 -","4","1","","Arduengo, 3rd, Anthony J.; Tapu, Daniela; Marshall, William J.","A bimetallic complex containing a cyclopentadienyl-annulated imidazol-2-ylidene.","Journal of the American Chemical Society","2005","127","47","16400","16401","10.1021/ja055565f","","","0.71073","MoKα","","0.0301","0.0251","","","0.0633","0.0661","","","","","","1.045","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100889","23.064","0.002","10.408","0.001","24.166","0.002","90","","104.88","0.002","90","","5606.5","0.9","293","2","293","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 Cl F3 N2 O3 P2 Pd Ru S -","- C58 H60 Cl F3 N2 O3 P2 Pd Ru S -","- C232 H240 Cl4 F12 N8 O12 P8 Pd4 Ru4 S4 -","4","1","","Arduengo, 3rd, Anthony J.; Tapu, Daniela; Marshall, William J.","A bimetallic complex containing a cyclopentadienyl-annulated imidazol-2-ylidene.","Journal of the American Chemical Society","2005","127","47","16400","16401","10.1021/ja055565f","","","0.71073","MoKα","","0.0935","0.0439","","","0.0949","0.1187","","","","","","1.014","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100890","23.062","0.0007","18.3784","0.0005","21.6713","0.0007","90","","105.925","0.002","90","","8832.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(dibenzoylmethanato)(1,1'-bi-2-naphtholato)tin(IV) dichloromethane solvate","","","- C51.75 H37.5 Cl3.5 O6 Sn -","- C50 H34 O6 Sn -","- C400 H272 O48 Sn8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100891","22.1216","0.0004","17.2637","0.0003","22.7113","0.0004","90","","108.677","0.001","90","","8216.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(dibenzoylmethanato)(1,1'-bi-2-naphtholato)titanium(IV) dichloromethane solvate","","","- C50.75 H35.5 Cl1.5 O6 Ti -","- C50 H34 O6 Ti -","- C400 H272 O48 Ti8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100892","32.808","0.003","10.4974","0.0014","25.079","0.004","90","","107.693","0.008","90","","8228.6","1.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis(2,2,6,6-tetramethylheptane-3,5-dionato)(1,1'-bi-2-naphtholato)titanium(IV) hemihexane solvate","","","- C45 H57 O6 Ti -","- C45 H57 O6 Ti -","- C360 H456 O48 Ti8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100893","16.8079","0.0012","16.8079","0.0012","11.5301","0.0017","90","","90","","120","","2820.9","0.5","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C24 H60 B12 O12 -","- C24 H60 B12 O12 -","- C72 H180 B36 O36 -","3","0.5","","Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100894","27.473","0.003","27.473","0.003","9.143","0.002","90","","90","","120","","5976.2","1.8","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C84 H72 B12 F12 O12 -","- C84 H72 B12 F12 O12 -","- C252 H216 B36 F36 O36 -","3","0.166667","","Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100895","12.965","0.003","13.363","0.003","14.245","0.004","111.352","0.004","104.803","0.004","106.682","0.004","2014.7","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H72 B12 F12 O12 -","- C84 H72 B12 F12 O12 -","- C84 H72 B12 F12 O12 -","1","0.5","","Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100896","13.0473","0.0014","14.0975","0.0015","14.3672","0.0016","113.052","0.002","101.158","0.002","106.955","0.002","2179.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H72 B12 Cl12 O12 -","- C84 H72 B12 Cl12 O12 -","- C84 H72 B12 Cl12 O12 -","1","0.5","","Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100897","13.2527","0.0008","14.2625","0.0009","14.6453","0.0009","113.903","0.001","101.217","0.001","106.374","0.001","2272.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H72 B12 Br12 O12 -","- C84 H72 B12 Br12 O12 -","- C84 H72 B12 Br12 O12 -","1","0.5","","Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100898","13.8938","0.001","14.1981","0.001","14.5566","0.0011","104.635","0.001","112.703","0.001","109.693","0.001","2238.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H72 B12 Br12 O12 -","- C84 H72 B12 Br12 O12 -","- C84 H72 B12 Br12 O12 -","1","0.5","","Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100899","12.215","0.011","10.101","0.007","15.761","0.018","90","","104.25","0.04","90","","1885","3","296.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 N4 -","- C46 H44 N4 -","- C92 H88 N8 -","2","0.5","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of DM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100900","22.864","0.0011","20.6713","0.001","9.9936","0.0005","90","","90","","90","","4723.3","0.4","93.1","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C58 H58 Cl2 N4 -","- C58 H58 Cl2 N4 -","- C232 H232 Cl8 N16 -","4","0.5","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of RDM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100901","23.641","0.012","7.22","0.003","41.687","0.019","90","","91.97","0.03","90","","7111","6","93.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C46 H46 N4 -","- C46 H46 N4 -","- C368 H368 N32 -","8","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HDM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100902","8.0043","0.0016","9.5872","0.0018","14.335","0.003","72.281","0.012","74.376","0.013","66.928","0.012","949.8","0.3","93.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C54 H36 N4 -","- C54 H36 N4 -","- C54 H36 N4 -","1","0.5","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of AM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100903","10.093","0.008","11.144","0.011","14.14","0.02","112.39","0.04","107.69","0.04","94.44","0.07","1367","3","243.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H55 Cl3 N4 -","- C72 H52 Cl3 N4 -","- C72 H52 Cl3 N4 -","1","0.5","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of AM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100904","11.562","0.012","13.764","0.013","15.698","0.014","81.07","0.03","71.43","0.03","74.45","0.03","2275","4","173.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H43 Cl N4 -","- C60 H43 Cl N4 -","- C120 H86 Cl2 N8 -","2","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100905","11.117","0.004","11.994","0.004","16.478","0.006","105.004","0.009","105.838","0.009","103.723","0.009","1926.4","1.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H62 N P2 Si2 Ti -","- C34 H62 N P2 Si2 Ti -","- C68 H124 N2 P4 Si4 Ti2 -","2","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100906","14.3901","0.0016","11.8551","0.0012","24.779","0.003","90","","94.75","0.003","90","","4212.6","0.8","126","2","126","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H62 F3 N O3 P2 S Si Ti -","- C36.56 H50 F3 N O3 P2 S Si Ti -","- C146.24 H200 F12 N4 O12 P8 S4 Si4 Ti4 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100907","11.6879","0.0015","15.034","0.0019","11.9212","0.0015","90","","94.886","0.003","90","","2087.1","0.5","124","2","124","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C40 H70 N O P2 Ti -","- C40 H70 N O P2 Ti -","- C80 H140 N2 O2 P4 Ti2 -","2","0.5","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178755","2020-10-21","18:00:00",""
"4100908","11.7766","0.0019","14.767","0.002","20.442","0.003","90","","95.003","0.005","90","","3541.3","0.9","126","2","126","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H55 N P2 Ti -","- C37 H55 N P2 Ti -","- C148 H220 N4 P8 Ti4 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100909","9.2775","0.0007","10.3554","0.0008","13.6763","0.0008","85.718","0.004","73.325","0.004","83.745","0.004","1249.87","0.15","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C60 H56 N4 O8 -","2","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100910","6.7922","0.0019","11.267","0.003","21.832","0.006","90","","90","","90","","1670.8","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Cl N2 O4 -","- C19 H15 Cl N2 O4 -","- C76 H60 Cl4 N8 O16 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100911","12.3651","0.0013","18.94","0.002","27.123","0.003","90","","90","","90","","6352","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Phe-Val-Aib-betaPhe-Leu-Phe-Val-OMe","","","- C60 H88 N8 O11 -","- C60 H88 N8 O11 -","- C240 H352 N32 O44 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100912","13.7261","0.0018","15.372","0.002","17.492","0.002","90","","101.285","0.003","90","","3619.3","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Boc-Aib-Gpn-Aib-Gpn-OMe","","","- C32 H56 N4 O7 -","- C32 H56 N4 O7 -","- C128 H224 N16 O28 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100913","8.4098","0.0013","9.8271","0.0015","14.997","0.002","101.406","0.003","90.749","0.003","114.735","0.003","1097.1","0.3","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C8 H9 Cl3 N O -","- C9 Cl3 N O -","- C36 Cl12 N4 O4 -","4","4","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100914","12.044","0.003","6.1019","0.0013","22.074","0.005","90","","97.882","0.006","90","","1607","0.6","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cl2 N O2 -","- C16 H18 Cl2 N O4 -","- C64 H72 Cl8 N4 O16 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100915","16.6116","0.0008","17.7273","0.0009","20.1493","0.001","109.671","0.001","100.258","0.001","104.903","0.001","5165.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C119 H146 N16 O3 Si3 -","- C119 H146 N16 O3 Si3 -","- C238 H292 N32 O6 Si6 -","2","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100916","16.697","0.004","11.156","0.002","17.32","0.004","90","","107.592","0.004","90","","3075","1.1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H59 B Ni P2 -","- C30 H59 B Ni P2 -","- C120 H236 B4 Ni4 P8 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100917","9.704","0.002","15.282","0.004","15.492","0.004","102.588","0.005","96.823","0.005","90.702","0.005","2224.7","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H87 B Ni2 P4 -","- C36 H87 B Ni2 P4 -","- C72 H174 B2 Ni4 P8 -","2","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100918","12.248","0.003","20.021","0.005","21.114","0.005","90","","93.695","0.005","90","","5167","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H74 Cl2 Cu2 P6 -","- C49 H74 Cl2 Cu2 P6 -","- C196 H296 Cl8 Cu8 P24 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100919","11.3063","0.0011","17.3023","0.0016","19.9594","0.0019","82.727","0.002","81.199","0.002","79","0.002","3768.6","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H50.5 B0.5 Cu N1.5 P3 -","- C39 H50.5 B0.5 Cu N1.5 P3 -","- C156 H202 B2 Cu4 N6 P12 -","4","2","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100920","11.8917","0.0016","12.1007","0.0017","42.69","0.006","90","","91.634","0.003","90","","6140.5","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H74 Cl2 Cu2 F12 P6 Sb2 -","- C39.1096 H59.0192 Cl1.4192 Cu1.6 F9.6 P4.8 Sb1.6 -","- C195.548 H295.096 Cl7.096 Cu8 F48 P24 Sb8 -","5","1.25","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100921","10.9458","0.0004","10.9458","0.0004","10.9458","0.0004","90","","90","","90","","1311.42","0.08","25","2","25","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate","","","- C6 Cd N6 Pt -","- C6 Cd N6 Pt -","- C24 Cd4 N24 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100922","10.9474","0.0004","10.9474","0.0004","10.9474","0.0004","90","","90","","90","","1312","0.08","50","2","50","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate","","","- C6 Cd N6 Pt -","- C6 Cd N6 Pt -","- C24 Cd4 N24 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100923","10.9461","0.0001","10.9461","0.0001","10.9461","0.0001","90","","90","","90","","1311.53","0.02","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate","","","- C6 Cd N6 Pt -","- C6 Cd N6 Pt -","- C24 Cd4 N24 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100924","10.9421","0.0001","10.9421","0.0001","10.9421","0.0001","90","","90","","90","","1310.09","0.02","150","2","150","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate","","","- C6 Cd N6 Pt -","- C6 Cd N6 Pt -","- C24 Cd4 N24 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100925","10.938","0.0002","10.938","0.0002","10.938","0.0002","90","","90","","90","","1308.62","0.04","225","2","225","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate","","","- C6 Cd N6 Pt -","- C6 Cd N6 Pt -","- C24 Cd4 N24 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100926","10.929","0.0002","10.929","0.0002","10.929","0.0002","90","","90","","90","","1305.39","0.04","300","2","300","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate","","","- C6 Cd N6 Pt -","- C6 Cd N6 Pt -","- C24 Cd4 N24 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100927","10.9228","0.0002","10.9228","0.0002","10.9228","0.0002","90","","90","","90","","1303.17","0.04","375","2","375","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate","","","- C6 Cd N6 Pt -","- C6 Cd N6 Pt -","- C24 Cd4 N24 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100928","10.9516","0.0001","10.9516","0.0001","10.9516","0.0001","90","","90","","90","","1313.51","0.02","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate dihydrate","","","- C6 H4 Cd N6 O2 Pt -","- C6 Cd N6 O2 Pt -","- C24 Cd4 N24 O8 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100929","10.5234","0.0003","10.5234","0.0003","10.5234","0.0003","90","","90","","90","","1165.38","0.06","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","zinc hexacyanoplatinate","","","- C6 N6 Pt Zn -","- C6 N6 Pt Zn -","- C24 N24 Pt4 Zn4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100930","10.522","0.0003","10.522","0.0003","10.522","0.0003","90","","90","","90","","1164.92","0.06","150","2","150","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","zinc hexacyanoplatinate","","","- C6 N6 Pt Zn -","- C6 N6 Pt Zn -","- C24 N24 Pt4 Zn4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100931","10.5241","0.0005","10.5241","0.0005","10.5241","0.0005","90","","90","","90","","1165.61","0.1","225","2","225","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","zinc hexacyanoplatinate","","","- C6 N6 Pt Zn -","- C6 N6 Pt Zn -","- C24 N24 Pt4 Zn4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100932","10.5186","0.0007","10.5186","0.0007","10.5186","0.0007","90","","90","","90","","1163.79","0.13","300","2","300","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","zinc hexacyanoplatinate","","","- C6 N6 Pt Zn -","- C6 N6 Pt Zn -","- C24 N24 Pt4 Zn4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100933","10.5104","0.0006","10.5104","0.0006","10.5104","0.0006","90","","90","","90","","1161.07","0.11","375","2","375","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","zinc hexacyanoplatinate","","","- C6 N6 Pt Zn -","- C6 N6 Pt Zn -","- C24 N24 Pt4 Zn4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100934","10.5467","0.0004","10.5467","0.0004","10.5467","0.0004","90","","90","","90","","1173.14","0.08","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","zinc hexacyanoplatinate dihydrate","","","- C6 H4 N6 O2 Pt Zn -","- C6 N6 O2 Pt Zn -","- C24 N24 O8 Pt4 Zn4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100935","24.876","0.006","7.3861","0.0018","3.7573","0.0009","90","","96.848","0.003","90","","685.4","0.3","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","1,3-Bis(m-nitrophenyl)urea","","","- C13 H12 N4 O6 -","- C13 H12 N4 O6 -","- C26 H24 N8 O12 -","2","0.5","","Hiremath, Rupa; Swift, Jennifer A.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178755","2020-10-21","18:00:00",""
"4100936","26.969","0.005","26.417","0.005","24.926","0.005","90","","117.095","0.005","90","","15809","5","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C224 H208 Au16 F48 N8 P24 S16 -","- C224 H208 Au16 F48 N8 P24 S16 -","- C448 H416 Au32 F96 N16 P48 S32 -","2","1","","Hiremath, Rupa; Swift, Jennifer A.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100937","20.051","0.013","18.123","0.011","20.631","0.011","90","","92.453","0.019","90","","7490","8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H75 B F21 N3 Ti -","- C77 H75 B F21 N3 Ti -","- C308 H300 B4 F84 N12 Ti4 -","4","1","","Hiremath, Rupa; Swift, Jennifer A.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100938","13.314","0.003","18.463","0.004","19.131","0.004","94.549","0.006","96.44","0.006","106.337","0.006","4453.9","1.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H103 B F21 N4 Ti -","- C98 H96 B F21 N4 Ti -","- C196 H192 B2 F42 N8 Ti2 -","2","1","","Hiremath, Rupa; Swift, Jennifer A.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100939","12.8349","0.0008","16.5869","0.0009","18.4167","0.001","93.494","0.002","101.466","0.002","97.616","0.002","3793.2","0.4","126","2","126","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H80 B F20 N3 Ti -","- C85 H80 B F20 N3 Ti -","- C170 H160 B2 F40 N6 Ti2 -","2","1","","Hiremath, Rupa; Swift, Jennifer A.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100940","9.5827","0.0007","11.8653","0.0008","12.0329","0.0007","65.548","0.002","67.047","0.002","89.489","0.002","1127.7","0.13","126","2","126","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H26 N2 O -","- C30 H26 N2 O -","- C60 H52 N4 O2 -","2","1","","Hiremath, Rupa; Swift, Jennifer A.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100941","5.5199","0.0009","5.6912","0.001","13.456","0.002","83.015","0.003","85.442","0.003","79.488","0.003","411.82","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cu3 Mo2 N2 O10 -","- C10 H10 Cu3 Mo2 N2 O10 -","- C10 H10 Cu3 Mo2 N2 O10 -","1","0.5","","Shores, M. P.; Bartlett, B. M.; Nocera, D. G.","Spin-Frustrated Organic-Inorganic Hybrids of Lindgrenite","Journal of the American Chemical Society","2005","127","51","17986","17987","10.1021/ja056666g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133685","2020-10-21","18:00:00",""
"4100942","5.6757","0.0015","5.7121","0.0015","9.447","0.002","95.284","0.005","91.557","0.005","100.248","0.005","299.82","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H12 Cu3 Mo2 N2 O10 -","- C4 H12 Cu3 Mo2 N2 O10 -","- C4 H12 Cu3 Mo2 N2 O10 -","1","0.5","","Shores, M. P.; Bartlett, B. M.; Nocera, D. G.","Spin-Frustrated Organic-Inorganic Hybrids of Lindgrenite","Journal of the American Chemical Society","2005","127","51","17986","17987","10.1021/ja056666g","","","","","","","","","","","","","","","","","","","","","has coordinates","133685","2020-10-21","18:00:00",""
"4100943","12.434","0.002","16.122","0.003","12.667","0.002","90","","104.923","0.004","90","","2453.6","0.8","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","inv-CB6","","","- C36 H56.4 Cl N24 O21.7 -","- C36 H56.428 Cl N24 O21.714 -","- C72 H112.856 Cl2 N48 O43.428 -","2","1","","Isaacs, Lyle; Park, Sang-Kyu; Liu, Simin; Ko, Young Ho; Selvapalam, Narayanan; Kim, Youngkook; Kim, Hyunuk; Zavalij, Peter Y.; Kim, Ghyung-Hwa; Lee, Heung-Soo; Kim, Kimoon","The Inverted Cucurbit[n]uril Family","Journal of the American Chemical Society","2005","127","51","18000","18001","10.1021/ja056988k","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4100944","32.2","0.005","32.2","0.005","32.581","0.007","90","","90","","120","","29255","8","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","inverted cucurbit[7]uril tetrahydrofuran-clathrate tetradecahydrate","","","- C46 H78 N28 O29 -","- C46 H42 N28 O29.003 -","- C828 H756 N504 O522.054 -","18","1","","Isaacs, Lyle; Park, Sang-Kyu; Liu, Simin; Ko, Young Ho; Selvapalam, Narayanan; Kim, Youngkook; Kim, Hyunuk; Zavalij, Peter Y.; Kim, Ghyung-Hwa; Lee, Heung-Soo; Kim, Kimoon","The Inverted Cucurbit[n]uril Family","Journal of the American Chemical Society","2005","127","51","18000","18001","10.1021/ja056988k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4100945","6.2717","0.0011","9.5873","0.0017","16.319","0.003","95.316","0.002","97.598","0.002","96.233","0.002","961.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Cl4 N2 O6 S2 -","- C38 H36 Cl4 N2 O6 S2 -","- C38 H36 Cl4 N2 O6 S2 -","1","0.5","","Ilia A. Guzei","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100946","10.5502","0.0009","11.3979","0.0009","14.2293","0.0012","96.935","0.001","92.995","0.001","107.64","0.001","1611.5","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H39 B Fe N2 O5 Si -","- C27 H39 B Fe N2 O5 Si -","- C54 H78 B2 Fe2 N4 O10 Si2 -","2","1","","Ilia A. Guzei","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100947","6.76","0.004","16.787","0.011","32.061","0.016","90","","90","","90","","3638","4","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 B Fe N O3.5 Si -","- C14 H26 B Fe N O3.5 Si -","- C112 H208 B8 Fe8 N8 O28 Si8 -","8","2","","Ilia A. Guzei","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100948","10.4994","0.0011","24.85","0.003","12.3176","0.0014","90","","92.295","0.002","90","","3211.2","0.6","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 B Fe N2 O4 S Si -","- C28 H41 B Fe N2 O4 S Si -","- C112 H164 B4 Fe4 N8 O16 S4 Si4 -","4","1","","Ilia A. Guzei","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100949","23.5846","0.0012","25.3051","0.0013","23.6723","0.0012","90","","96.364","0.001","90","","14040.8","1.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74.5 H75 Cl2 Cu2 N6 O10.5 P2 -","- C74.5 H75 Cl2 Cu2 N6 O10.5 P2 -","- C596 H600 Cl16 Cu16 N48 O84 P16 -","8","2","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100950","11.4793","0.0009","13.6708","0.0012","15.3099","0.0014","77.122","0.007","73.566","0.007","73.434","0.007","2182.2","0.3","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H41 Cl2 Cu2 N9 O9 -","- C39 H41 Cl2 Cu2 N9 O9 -","- C78 H82 Cl4 Cu4 N18 O18 -","2","1","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100951","23.398","0.011","9.934","0.004","24.876","0.011","90","0.0017","105.331","0.0019","90","0.0017","5576","4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H84 Si16 -","- C28 H84 Si16 -","- C112 H336 Si64 -","4","0.5","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100952","24.031","0.015","13.01","0.008","17.598","0.011","90","","90","","90","","5502","6","150","2","150","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C28 H84 Cl2 Si16 -","- C28 H84 Cl2 Si16 -","- C112 H336 Cl8 Si64 -","4","","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100953","20.777","0.003","24.988","0.003","26.533","0.003","78.248","0.004","71.263","0.004","79.124","0.004","12658","3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H92 O2 Si16 -","- C42 H90.5 O2 Si16 -","- C336 H724 O16 Si128 -","8","4","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100954","24.511","0.005","9.8728","0.0019","23.55","0.005","90","","100.626","0.001","90","","5601.3","1.9","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H86 O Si16 -","- C28 H85 O Si16 -","- C112 H340 O4 Si64 -","4","0.5","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100955","12.986","0.005","14.978","0.006","23.15","0.01","90","","93.82","0.02","90","","4493","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Cl Mn3 N8 O14 -","- C30 H30 Cl7 Mn3 N6 O14 -","- C120 H120 Cl28 Mn12 N24 O56 -","4","1","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100956","8.298","0.002","14.819","0.004","8.293","0.002","90","","110.067","0.004","90","","957.8","0.4","118","","118","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 F3 N O4 S -","- C8 H4 F3 N O4 S -","- C32 H16 F12 N4 O16 S4 -","4","1","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100957","11.4597","0.0016","11.4597","0.0016","12.611","0.003","90","","90","","120","","1434.3","0.4","296","2","296","2","","","","","","","","5","P 32","P 32","145","","","","- C20 H22 Cl N O2 -","- C20 H22 Cl N O2 -","- C60 H66 Cl3 N3 O6 -","3","1","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100958","17.552","0.004","8.9917","0.0018","15.525","0.003","90","","120.61","0.03","90","","2108.7","0.7","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H25 Cl N O -","- C23 H25 Cl N O -","- C92 H100 Cl4 N4 O4 -","4","1","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100959","13.491","0.003","13.557","0.003","15.658","0.003","90","","113.64","0.03","90","","2623.6","0.9","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C63 H64 Cl2 Ir N O2 P2 -","- C63 H64 Cl2 Ir N O2 P2 -","- C126 H128 Cl4 Ir2 N2 O4 P4 -","2","1","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178755","2020-10-21","18:00:00",""
"4100960","9.654","0.009","8.269","0.005","15.48","0.01","90","","95.24","0.03","90","","1230","1","97.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H28 O4 -","- C31 H28 O4 -","- C62 H56 O8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100961","15.5782","0.0016","13.5247","0.0011","13.0531","0.0009","116.249","0.003","79.374","0.006","95.966","0.004","2423.5","0.4","253","2","253","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H36 F9 N2 O5 P2 Re S -","- C51 H36 F9 N2 O5 P2 Re S -","- C102 H72 F18 N4 O10 P4 Re2 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100962","11.752","0.002","14.508","0.003","15.376","0.003","95.28","0.02","112.434","0.01","104.879","0.016","2288.4","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H70 Cl6 P2 Ru S -","- C39 H70 Cl6 P2 Ru S -","- C78 H140 Cl12 P4 Ru2 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100963","15.6084","0.0001","14.6474","0.0001","16.0669","0.0001","90","","100.084","0.003","90","","3616.51","0.04","90","0.2","90","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H53 Br Ir N P2 -","- C39 H53 Br Ir N P2 -","- C156 H212 Br4 Ir4 N4 P8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100964","20.5018","0.001","7.197","0.0003","22.9054","0.0011","90","","112.826","0.002","90","","3115","0.2","90","0.2","90","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H45 Cl Ir N P2 -","- C32 H44 Cl Ir N P2 -","- C128 H176 Cl4 Ir4 N4 P8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178755","2020-10-21","18:00:00",""
"4100965","14.1133","0.001","24.338","0.002","13.773","0.0006","90","","118.09","0.004","90","","4173.6","0.5","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 N4 O4 -","- C47 H56 N4 O4 -","- C188 H224 N16 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100966","25.5931","0.0012","10.2487","0.0005","27.0553","0.0013","90","","91.349","0.002","90","","7094.5","0.6","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36.5 H28 Cl Co N6 O7 -","- C36 H27 Co N6 O7 -","- C288 H216 Co8 N48 O56 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100967","12.7158","0.0007","20.4866","0.0011","13.567","0.0007","90","","104.497","0.002","90","","3421.7","0.3","130","2","130","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C23 H52 F3 N3 O3 P2 Ru S Si2 -","- C23 H52 F3 N3 O3 P2 Ru S Si2 -","- C92 H208 F12 N12 O12 P8 Ru4 S4 Si8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100968","42.83","0.02","9.935","0.005","20.393","0.012","90","","99.994","0.01","90","","8546","8","173","1","173","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H66 N3 O2.5 Si Y -","- C44 H66 N3 O2.5 Si Y -","- C352 H528 N24 O20 Si8 Y8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100969","8.8524","0.0013","11.2198","0.0017","17.538","0.003","90","","100.444","0.003","90","","1713","0.4","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 Cl N2 -","- C17 H23 Cl N2 -","- C68 H92 Cl4 N8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100970","17.097","0.002","9.395","0.0013","18.607","0.003","90","","90","","90","","2988.9","0.7","173","1","173","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H19 Cl N2 -","- C15 H19 Cl N2 -","- C120 H152 Cl8 N16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100971","10.222","0.003","12.534","0.004","22.541","0.007","90","","93.281","0.011","90","","2883.2","1.5","200","2","200","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[bmim]OTf","","","- C9 H15 F3 N2 O3 S -","- C9 H15 F3 N2 O3 S -","- C72 H120 F24 N16 O24 S8 -","8","2","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of low-melting ionic liquids.","Journal of the American Chemical Society","2005","127","48","16792","16793","10.1021/ja055956u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100972","8.774","0.005","8.944","0.01","9.032","0.006","95.949","0.016","114.93","0.013","103.01","0.03","610.2","0.8","183","2","183","2","","","","","","","","5","P -1","-P 1","2","[bmim]PF6","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C16 H30 F12 N4 P2 -","2","1","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of low-melting ionic liquids.","Journal of the American Chemical Society","2005","127","48","16792","16793","10.1021/ja055956u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100973","8.3947","0.0011","13.0106","0.0016","16.582","0.002","90","","90","","90","","1811.1","0.4","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 F6 N2 O4 S2 -","- C11 H20 F6 N2 O4 S2 -","- C44 H80 F24 N8 O16 S8 -","4","1","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of low-melting ionic liquids.","Journal of the American Chemical Society","2005","127","48","16792","16793","10.1021/ja055956u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100974","8.7618","0.0001","9.3961","0.0001","11.4246","0.0002","90","","98.72","0.001","90","","929.68","0.02","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[emim]BF4","","","- C6 H11 B F4 N2 -","- C6 H11 B F4 N2 -","- C24 H44 B4 F16 N8 -","4","1","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of low-melting ionic liquids.","Journal of the American Chemical Society","2005","127","48","16792","16793","10.1021/ja055956u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100975","8.7916","0.0016","12.911","0.002","18.341","0.003","71.969","0.003","83.335","0.002","88.815","0.002","1966","0.6","125","2","125","0.2","","","","","","","","6","P -1","-P 1","2","[nhexpy]NTF2","","","- C13 H18 F6 N2 O4 S2 -","- C13 H18 F6 N2 O4 S2 -","- C52 H72 F24 N8 O16 S8 -","4","2","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of low-melting ionic liquids.","Journal of the American Chemical Society","2005","127","48","16792","16793","10.1021/ja055956u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100976","19.476","0.004","20.192","0.004","18.567","0.004","90","","90","","90","","7302","3","233","2","233","2","","","","","","","","5","P n n m","-P 2 2n","58","CB10 @ bis-diammonium tetraidodide hydrate","","","- C94 H167.87 I4 N54 O54.94 -","- C94 H102 I4 N54 O54.9 -","- C188 H204 I8 N108 O109.8 -","2","0.25","","Liu, Simin; Zavalij, Peter Y.; Isaacs, Lyle","Cucurbit[10]uril.","Journal of the American Chemical Society","2005","127","48","16798","16799","10.1021/ja056287n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100977","9.0317","0.0018","11.364","0.002","11.424","0.002","60.35","0.004","85.599","0.004","84.724","0.004","1014","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1:1 Co-crystal of Aspirin and Carbamazepine","","","- C24 H20 N2 O5 -","- C24 H20 N2 O5 -","- C48 H40 N4 O10 -","2","1","","Jennifer A. McMahon; Peddy Vishweshwar; Matthew L. Peterson; Michael J. Zaworotko","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100978","12.095","0.007","6.491","0.004","11.323","0.006","90","","111.509","0.009","90","","827.1","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Form-II of Aspirin","","","- C9 H8 N0 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Peddy Vishweshwar; Jennifer A. McMahon; Mark Oliveira; Matthew L. Peterson; Michael J. Zaworotko","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100979","19.3272","0.0007","11.686","0.0005","16.089","0.0006","90","","92.63","0.001","90","","3630","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Br2 N2 O4 -","- C44 H40 Br2 N2 O4 -","- C176 H160 Br8 N8 O16 -","4","1","","Peddy Vishweshwar; Jennifer A. McMahon; Mark Oliveira; Matthew L. Peterson; Michael J. Zaworotko","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100980","6.5925","0.0001","10.6552","0.0001","21.296","0.0002","90","","90","","90","","1495.93","0.03","273","2","273","2","","","","","","","","6","P n m a","-P 2ac 2n","62","4-(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-morpholin-4-ium; tetrafluoro borate","","","- C10 H17 B F4 N4 O3 -","- C10 H17 B F4.01 N4 O3 -","- C40 H68 B4 F16.04 N16 O12 -","4","0.5","","Peddy Vishweshwar; Jennifer A. McMahon; Mark Oliveira; Matthew L. Peterson; Michael J. Zaworotko","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100981","10.258","0.002","9.2156","0.0018","14.158","0.005","90","","125.93","0.02","90","","1083.8","0.5","295","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4-Dimethoxy-6-morpholin-4-yl-[1,3,5]triazine","","","- C9 H14 N4 O3 -","- C9 H14 N4 O3 -","- C36 H56 N16 O12 -","4","1","","Peddy Vishweshwar; Jennifer A. McMahon; Mark Oliveira; Matthew L. Peterson; Michael J. Zaworotko","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100982","6.7509","0.0004","14.9157","0.0008","26.1982","0.0013","90","","92.038","0.002","90","","2636.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O10 P2 W2 -","- C22 H16 O10 P2 W2 -","- C88 H64 O40 P8 W8 -","4","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100983","9.0413","0.0001","21.6707","0.0003","17.8474","0.0003","90","","111.977","0.0005","90","","3242.75","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Mo2 O10 P2 -","- C32 H20 Mo2 O10 P2 -","- C128 H80 Mo8 O40 P8 -","4","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100984","8.0153","0.0003","10.6946","0.0004","22.3651","0.0005","88.441","0.002","83.323","0.002","79.194","0.001","1870.34","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H20 O10 P2 W2 -","- C38 H20 O10 P2 W2 -","- C76 H40 O20 P4 W4 -","2","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100985","10.4762","0.0001","11.3603","0.0001","14.8964","0.0001","103.56","0.0004","99.8561","0.0005","103.982","0.0004","1622.87","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H18 O10 P2 W2 -","- C32 H18 O10 P2 W2 -","- C64 H36 O20 P4 W4 -","2","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100986","9.2748","0.0004","12.066","0.0006","15.2717","0.0006","90.529","0.002","98.06","0.001","104.808","0.002","1634.16","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 Mo2 O10 P2 -","- C32 H16 Mo2 O10 P2 -","- C64 H32 Mo4 O20 P4 -","2","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100987","9.2488","0.0001","10.0296","0.0001","10.8435","0.0002","110.043","0.0009","95.2573","0.001","105.2","0.0008","893.42","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Mn O2 P -","- C21 H16 Mn O2 P -","- C42 H32 Mn2 O4 P2 -","2","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100988","14.244","0.007","19.825","0.01","19.945","0.01","90","","90","","90","","5632","5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C62 H65 Cl2 Fe2 N2 Ni O8 P3 -","- C62 H65 Cl2 Fe2 N2 Ni O8 P3 -","- C248 H260 Cl8 Fe8 N8 Ni4 O32 P12 -","4","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100989","14.8165","0.0012","19.7066","0.0015","19.9451","0.0015","90","","90","","90","","5823.6","0.8","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C64 H69 Cl2 Fe2 N2 Ni O8 P3 -","- C64 H64 Cl2 Fe2 N2 Ni O8 P3 -","- C256 H256 Cl8 Fe8 N8 Ni4 O32 P12 -","4","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100990","8.9815","0.0006","15.1441","0.0011","19.2553","0.0014","90","","90","","90","","2619","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 Cl N2 P Pd -","- C26 H40 Cl N2 P Pd -","- C104 H160 Cl4 N8 P4 Pd4 -","4","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100991","11.44","0.002","16.326","0.003","41.174","0.008","90","","90","","90","","7690","3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C88 H116 Cl2 N4 P2 Pd2 -","- C88 H116 Cl2 N4 P2 Pd2 -","- C352 H464 Cl8 N16 P8 Pd8 -","4","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100992","10.433","0.002","14.876","0.003","23.811","0.004","90","","90","","90","","3695.6","1.2","103","2","103","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H31 Rh -","- C20 H31 Rh -","- C160 H248 Rh8 -","8","1","","Thomas Cadenbach; Christian Gemel; Rochus Schmid; Roland Fischer","Mechanistic Insights into an Unprecedented C-C Bond...","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100993","9.086","0.002","18.853","0.005","28.918","0.011","90","","94.18","0.03","90","","4940","3","101","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Ga Rh -","- C27 H38 Ga Rh -","- C216 H304 Ga8 Rh8 -","8","2","","Thomas Cadenbach; Christian Gemel; Rochus Schmid; Roland Fischer","Mechanistic Insights into an Unprecedented C-C Bond...","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100995","5.94","0.01","10.564","0.004","25.499","0.003","90","","90","","90","","1599","3","97.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 I O5 -","- C14 H19 I O5 -","- C56 H76 I4 O20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100996","9.7103","0.0019","23.907","0.005","20.636","0.004","90","","102.67","0.03","90","","4674.1","1.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C119 H94 O P4 Pd2 -","- C119 H94 O P4 Pd2 -","- C238 H188 O2 P8 Pd4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja045533c","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100997","16.3553","0.0012","19.5546","0.0014","13.4403","0.001","90","","126.865","0.001","90","","3439","0.4","193","2","193","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","holjs30","","","- C72 H82 Fe2 N6 -","- C72 H82 Fe2 N6 -","- C144 H164 Fe4 N12 -","2","0.25","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100998","12.7937","0.0012","17.3151","0.0016","12.9685","0.0012","90","","101.737","0.001","90","","2812.8","0.5","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","holjv41","","","- C58 H82 Fe2 N6 -","- C58 H82 Fe2 N6 -","- C116 H164 Fe4 N12 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100999","13.363","0.004","21.255","0.006","29.433","0.008","90","","96.299","0.004","90","","8310","4","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C86 H132 Fe2 N8 -","- C86 H132 Fe2 N8 -","- C344 H528 Fe8 N32 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4101000","13.5361","0.0019","29.694","0.004","22.447","0.003","90","","94.282","0.003","90","","8997","2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","holjs72a","","","- C92 H142 Fe2 N8 O -","- C92 H132 Fe2 N8 O -","- C368 H528 Fe8 N32 O4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101001","13.8051","0.0009","13.995","0.0009","16.1895","0.001","90","","91.155","0.001","90","","3127.2","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 Fe N2 -","- C35 H47 Fe N2 -","- C140 H188 Fe4 N8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101002","12.226","0.002","13.316","0.003","14.41","0.003","91.312","0.003","98.647","0.003","114.896","0.002","2094","0.7","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H56 Fe N2 P -","- C47 H56 Fe N2 P -","- C94 H112 Fe2 N4 P2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101003","14.0433","0.0009","21.5586","0.0013","10.1035","0.0006","90","","90","","90","","3058.9","0.3","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H41 Fe N2 O3 -","- C32 H41 Fe N2 O3 -","- C128 H164 Fe4 N8 O12 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
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"4101015","11.318","0.005","12.903","0.006","19.536","0.008","90","","90","","90","","2853","2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H42 I N O5 Si -","- C25 H42 I N O5 Si -","- C100 H168 I4 N4 O20 Si4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0547477","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101016","21.478","0.006","8.597","0.002","36.446","0.01","90","","94.718","0.005","90","","6707","3","163","2","163","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H88 I N O15 Si -","- C57 H88 I N O15 Si -","- C228 H352 I4 N4 O60 Si4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054748z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
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"4101023","16.478","0.01","26.693","0.01","52.329","0.01","90","","94.046","0.01","90","","22959","17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C98 H94 Ag5 F12 N9 P8 S6 -","- C98 H78 Ag5 F12 N9 P8 S6 -","- C784 H624 Ag40 F96 N72 P64 S48 -","8","2","","Lorenzo Barbieri; Claudia Graiff; Lisa Elviri; Maurizio Lanfranchi; Roberto Pattacini; Alessandro Stercoli; Antonio Tiripicchio","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0554110","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101024","15.701","0.007","13.75","0.005","17.964","0.006","90","","98.935","0.009","90","","3831","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C66 H68 Ag4 F6 N6 O7 P4 S6 -","- C66 H60 Ag4 F6 N6 O7 P4 S6 -","- C132 H120 Ag8 F12 N12 O14 P8 S12 -","2","0.5","","Lorenzo Barbieri; Claudia Graiff; Lisa Elviri; Maurizio Lanfranchi; Roberto Pattacini; Alessandro Stercoli; Antonio Tiripicchio","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0554110","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101025","11.6168","0.001","13.0844","0.0011","13.6744","0.0014","101.843","0.003","97.06","0.003","91.771","0.003","2015.5","0.3","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C33 H26 Cl10 N6 O2 Ru -","- C33 H26 Cl10 N6 O2 Ru -","- C66 H52 Cl20 N12 O4 Ru2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja055523r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101026","16.08","0.002","11.4124","0.0015","15.735","0.002","90","","105.406","0.003","90","","2783.7","0.7","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 N4 O2 Ru S3 -","- C31 H26 N4 O2 Ru S3 -","- C124 H104 N16 O8 Ru4 S12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja055523r","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101027","16.8289","0.0016","12.6197","0.0016","13.8203","0.0015","90","","94.394","0.006","90","","2926.5","0.6","143","1","143","1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C35 H30 Cl N7 O3.5 Ru -","- C33.057 H26.09 Cl N6.0285 O3.5 Ru -","- C132.228 H104.36 Cl4 N24.114 O14 Ru4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja055523r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101028","11.1733","0.0004","6.7391","0.0003","9.7645","0.0003","90","","111.347","0.002","90","","684.8","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co-N3-Dpg-Square","","","- C12 H12 Co N8 O2 -","- C12 H12 Co N8 O2 -","- C24 H24 Co2 N16 O4 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja055725n","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101029","10.6544","0.0002","13.4568","0.0004","13.4163","0.0003","90","","106.056","0.001","90","","1848.52","0.08","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Co-N3-Bpg-Honeycomb","","","- C14 H18 Co N8 O3 S -","- C14 H10 Co N8 O3 S -","- C56 H40 Co4 N32 O12 S4 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja055725n","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101030","13.5054","0.0002","19.815","0.0003","11.6353","0.0002","90","","96.5779","0.0007","90","","3093.22","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co-N3-Bpg-Kagome","","","- C48 H64 Co3 N28 O10 -","- C48 H54 Co3 N28 O10 -","- C96 H108 Co6 N56 O20 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja055725n","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101031","19.939","0.0014","15.3384","0.0011","19.9882","0.0014","90","","107.762","0.001","90","","5821.6","0.7","136","2","136","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H70 B2 F8 O4 P2 Pd -","- C58 H82 B2 F8 O6 P2 Pd2 -","- C232 H328 B8 F32 O24 P8 Pd8 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0558995","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101032","9.353","0.0006","10.7036","0.0007","35.701","0.002","90","","92.368","0.001","90","","3571","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 N O3 Ru -","- C46 H37 N O3 Ru -","- C184 H148 N4 O12 Ru4 -","4","1","","Ilia A. Guzei","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101033","38.035","0.003","10.1353","0.0009","20.3079","0.0018","90","","103.913","0.001","90","","7599","1.2","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","MoH(tBu(H)C=NAr)(N[Np]Ar)3","","","- C39 H60 Mo N3 -","- C39 H60 Mo N3 -","- C312 H480 Mo8 N24 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056408j","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101034","10.085","0.002","31.275","0.007","12.676","0.003","90","","102.704","0.004","90","","3900.4","1.4","173","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NMo(N[Np]Ar)3","","","- C39 H60 Mo N4 -","- C39 H60 Mo N4 -","- C156 H240 Mo4 N16 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056408j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101035","15.8927","0.0008","15.8927","0.0008","14.4775","0.0015","90","","90","","120","","3166.8","0.4","183","2","193","2","","","","","","","","6","P -3","-P 3","147","[Na(THF)3)][NNb(N[Np]Ar)3]","","","- C51 H84 N4 Na Nb O3 -","- C51 H84 N4 Na Nb O3 -","- C102 H168 N8 Na2 Nb2 O6 -","2","0.333333","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056408j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101036","15.078","0.003","13.465","0.002","19.827","0.003","90","","92.02","0.005","90","","4022.9","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(tBu(O)CN)Nb(N[t-Bu]Ar)3","","","- C41 H63 N4 Nb O -","- C41 H63 N4 Nb O -","- C164 H252 N16 Nb4 O4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056408j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101037","12.5745","0.0019","19.634","0.003","17.226","0.003","90","","109.859","0.002","90","","4000","1","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","INb(N[Np]Ar)3","","","- C39 H60 I N3 Nb -","- C39 H60 I N3 Nb -","- C156 H240 I4 N12 Nb4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056408j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101038","10.704","0.0005","11.6133","0.0004","18.1727","0.0008","79.472","0.001","75.265","0.001","75.909","0.001","2101.35","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(OTf)Nb(N[Np]Ar)3","","","- C40 H60 F3 N3 Nb O3 S -","- C40 H60 F3 N3 Nb O3 S -","- C80 H120 F6 N6 Nb2 O6 S2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056408j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
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"4101040","5.9391","0.0003","8.0487","0.0004","22.2075","0.0016","92.264","0.002","92.001","0.002","90.067","0.004","1060.08","0.11","153","2","153","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C50 H50 N2 O6 -","2","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056474l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101041","11.2709","0.0007","13.6042","0.0008","34.653","0.002","90","","90","","90","","5313.4","0.6","130","2","133","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C45 H80 B Cu Mo N9 O3 S -","- C45 H80 B Cu Mo N9 O3 S -","- C180 H320 B4 Cu4 Mo4 N36 O12 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056500f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101042","8.62","0.01","10.52","0.01","14.17","0.02","74.53","0.06","71.8","0.06","87.47","0.06","1174","3","123.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H14 Br2 F6 N2 -","- C27 H14 Br2 F6 N2 -","- C54 H28 Br4 F12 N4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056575j","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101043","8.52","0.01","10.69","0.01","14","0.02","74.45","0.04","72.42","0.05","85.95","0.04","1171","2","123.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H14 Br2 F6 N2 -","- C27 H14 Br2 F6 N2 -","- C54 H28 Br4 F12 N4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056575j","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101044","7.1485","0.0005","10.4318","0.0007","13.3666","0.0009","70.5166","0.0012","89.5578","0.0012","72.002","0.0012","888.65","0.1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","1,1'-bis(1,5-dimethyl-6-oxoverdazyl)ferrocene","","","- C18 H20 Fe N8 O2 -","- C18 H20 Fe N8 O2 -","- C36 H40 Fe2 N16 O4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0566331","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101045","6.8938","0.0008","9.8074","0.0009","13.1773","0.0019","90","","90","","90","","890.92","0.18","293","","293","","","","","","","","","6","P c m a","-P 2ac 2ac","55","","","","- C4 H2 Au2 N4 O Pb -","- C4 H2 Au2 N4 O Pb -","- C16 H8 Au8 N16 O4 Pb4 -","4","0.5","","Katz, Michael J.; Aguilar, Pedro M.; Batchelor, Raymond J.; Bokov, Alexei A.; Ye, Zuo-Guang; Kroeker, Scott; Leznoff, Daniel B.","Structure and Multinuclear MAS NMR of a Highly Birefringent Lead Gold Cyanide Coordination Polymer","Journal of the American Chemical Society","2006","","","","","10.1021/ja0566634","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101046","9.0355","0.0006","12.6226","0.0012","15.0883","0.0011","66.075","0.003","88.306","0.004","85.204","0.003","1567.5","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H49 N O2 Si4 W -","- C25 H49 N O2 Si4 W -","- C50 H98 N2 O4 Si8 W2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056715p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101047","15.6624","0.0007","9.2361","0.0003","24.696","0.0007","90","","100.937","0.0016","90","","3507.6","0.2","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C29 H54 N2 O2 Si4 W -","- C29 H52 N2 O2 Si4 W -","- C116 H208 N8 O8 Si16 W4 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056715p","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101048","9.634","0.005","15.725","0.005","14.36","0.005","90","","93.621","0.005","90","","2171.1","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","LCCL02","","","- C26 H23 P S -","- C26 H23 P S -","- C104 H92 P4 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0567182","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101049","9.907","0.005","10.282","0.005","12.655","0.005","90","","105.568","0.005","90","","1241.8","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","LCOF05","","","- C32 H27 P S -","- C32 H27 P S -","- C64 H54 P2 S2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0567182","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101050","9.256","0.005","12.399","0.005","13.325","0.005","95.791","0.005","109.093","0.005","108.521","0.005","1334","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","LCOF07","","","- C34 H29 P S -","- C34 H29 P S -","- C68 H58 P2 S2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0567182","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101051","10.377","0.005","17.347","0.005","13.471","0.005","90","","91.769","0.005","90","","2423.8","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LCCL01","","","- C26.5 H24 Au Cl2 P -","- C26.5 H24 Au Cl2 P -","- C106 H96 Au4 Cl8 P4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0567182","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101052","9.035","0.001","9.542","0.003","14.598","0.002","71.62","0.02","78.25","0.01","63.25","0.02","1063.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Au Cl P S2 -","- C21.1 H18 Au Cl P S2 -","- C42.2 H36 Au2 Cl2 P2 S4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0567182","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101053","17.5448","0.0003","17.5448","0.0003","15.1596","0.0004","90","","90","","90","","4666.43","0.17","293","2","293","2","","","","","","","","4","I 41","I 4bw","80","","","","- C21 H28 N2 O7 -","- C21 H28 N2 O7 -","- C168 H224 N16 O56 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056762h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101054","22.008","0.0012","8.292","0.0005","22.383","0.0012","90","","93.089","0.001","90","","4078.7","0.4","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H50 N2 O4 -","- C52 H50 N2 O4 -","- C208 H200 N8 O16 -","4","0.5","","Ilhan, Faysal; Tyson, Daniel; Stasko, Daniel; Kirschbaum, Kristin; Meador, Micheal A.","Twisted, Z-Shaped Perylene Bisimide","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101055","9.5369","0.0008","9.6309","0.0008","18.0131","0.0016","90","","92.128","0.003","90","","1653.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 N2 O2 -","- C23 H14 N2 O2 -","- C92 H56 N8 O8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101056","15.321","0.004","12.9092","0.0018","16.115","0.003","90","","100.554","0.012","90","","3133.4","1.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 N -","- C23 H15 N -","- C184 H120 N8 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101057","6.771","0.0001","8.8023","0.0002","12.3546","0.0002","99.618","0.001","101.246","0.001","109.982","0.001","656.54","0.02","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Cl Cu N2 O2 -","- C13 H13 Cl Cu N2 O2 -","- C26 H26 Cl2 Cu2 N4 O4 -","2","1","","Patrick Gamez","The Square-planar [CuII(pyrimol)Cl] complex acts as an efficient cytotoxic DNA","Journal of the American Chemical Society","2006","","","","","10.1021/ja056970+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101058","8.584","0.0017","8.759","0.0018","9.785","0.002","78.98","0.03","80.7","0.03","73.04","0.03","686.4","0.2","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H18 O5 -","- C15 H18 O5 -","- C30 H36 O10 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056980a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101059","8.4349","0.0011","10.7308","0.0014","22.018","0.003","90","","99.379","0.002","90","","1966.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H43 Cl4 Cu2 N8 O2 -","- C35 H43 Cl4 Cu2 N8 O2 -","- C70 H86 Cl8 Cu4 N16 O4 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057122h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101060","8.362","0.006","10.55","0.008","22.438","0.016","90","","99.093","0.014","90","","1954","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Cl4 Cu2 N8 -","- C34 H40 Cl4 Cu2 N8 -","- C68 H80 Cl8 Cu4 N16 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057122h","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101061","8.3975","0.0018","10.861","0.002","21.89","0.005","90","","98.34","0.004","90","","1975.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Cl4 Cu2 I2 N8 -","- C34 H40 Cl4 Cu2 I2 N8 -","- C68 H80 Cl8 Cu4 I4 N16 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057122h","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101062","12.7522","0.0005","19.0869","0.0007","35.8127","0.0016","93.306","0.002","91.725","0.003","103.854","0.003","8440.5","0.6","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H134 Ge2 Si14 -","- C60 H134 Ge2 Si14 -","- C240 H536 Ge8 Si56 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057205y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4101063","13.2422","0.0003","18.9459","0.0007","18.6788","0.0008","90","","110.506","0.0014","90","","4389.3","0.3","153","2","153","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C66 H144 Ge2 Si14 -","- C66 H144 Ge2 Si14 -","- C132 H288 Ge4 Si28 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057205y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101064","12.4319","0.0007","13.013","0.0008","14.7938","0.0011","85.759","0.005","84.425","0.003","91.478","0.003","2374.1","0.3","103","2","103","2","","","","","","","","4","P -1","-P 1","2","compound 11","","","- C78 H168 Ge2 Si14 -","- C78 H168 Ge2 Si14 -","- C78 H168 Ge2 Si14 -","1","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057205y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4101065","8.4403","0.0015","18.274","0.002","9.4574","0.0013","90","","113.178","0.018","90","","1340.9","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H45 Li N2 O Si -","- C27 H45 Li N2 O Si -","- C54 H90 Li2 N4 O2 Si2 -","2","1","","Carsten Strohmann, Christian Daeschlein, Dominik Auer","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057348k","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101066","11.094","0.002","14.299","0.003","18.751","0.007","90","","90","","90","","2974.5","1.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 Li N3 Si -","- C31 H46 Li N3 Si -","- C124 H184 Li4 N12 Si4 -","4","1","","Carsten Strohmann, Christian Daeschlein, Dominik Auer","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057348k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101067","9.8887","0.0016","29.678","0.003","10.107","0.002","90","","111.35","0.02","90","","2762.6","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Li N3 O Si -","- C26 H44 Li N3 O Si -","- C104 H176 Li4 N12 O4 Si4 -","4","1","","Carsten Strohmann, Christian Daeschlein, Dominik Auer","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057348k","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101068","12.6227","0.0001","17.5519","0.0002","22.3645","0.0003","112.352","0.001","101.418","0.001","93.336","0.001","4442.97","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H96 N4 O2 S24 -","- C74 H96 N4 O2 S24 -","- C148 H192 N8 O4 S48 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057367u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101069","10.1915","0.0002","10.947","0.0003","19.2157","0.0006","84.972","0.002","88.247","0.002","64.993","0.002","1935.33","0.09","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 N4 S6 -","- C38 H48 N4 S6 -","- C76 H96 N8 S12 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057367u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101070","23.1968","0.0007","23.1968","0.0007","38.961","0.002","90","","90","","90","","20964.4","1.5","163","2","163","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C50.5 H74.75 Cl0.75 N2.5 O4.75 -","- C50.5 H63 Cl0.75 N2.5 O4.75 -","- C808 H1008 Cl12 N40 O76 -","16","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057395c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101071","11.151","0.003","10.043","0.002","23.047","0.005","90","","102.57","0.002","90","","2519.4","1","93.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 Mn4 N16 O12 -","- C44 H42 Mn4 N16 O12 -","- C88 H84 Mn8 N32 O24 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0574062","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101072","28.322","0.008","11.093","0.003","20.207","0.006","90","","111.754","0.003","90","","5897","3","118.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H50 Cl2 Mn4 N14 O18 -","- C46 H46 Cl2 Mn4 N14 O18 -","- C184 H184 Cl8 Mn16 N56 O72 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0574062","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101073","20.76","0.02","11.688","0.007","21.196","0.014","90","","107.884","0.009","90","","4895","7","93.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H47 Br2 Mn4 N10 O8.5 -","- C38 H30 Br2 Mn4 N10 O8.5 -","- C152 H120 Br8 Mn16 N40 O34 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0574062","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101074","14.53","0.003","16.999","0.003","18.44","0.003","90","","90","","90","","4554.4","1.3","93.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 Cl2 Mn4 N12 O14 -","- C40 H36 Cl2 Mn4 N12 O14 -","- C160 H144 Cl8 Mn16 N48 O56 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0574062","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101075","11.345","0.0005","12.3622","0.0009","20.0696","0.0014","76.264","0.003","88.1","0.004","84.895","0.004","2723.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H86 O3 Si8 -","- C41 H86 O3 Si8 -","- C82 H172 O6 Si16 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057596g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101076","24.5669","0.0005","20.9516","0.0006","21.697","0.0004","90","","106.851","0.001","90","","10688.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H86 O3 Si8 -","- C41 H86 O3 Si8 -","- C328 H688 O24 Si64 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057596g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101077","13.5228","0.0007","32.6657","0.0015","12.9221","0.0004","90","","117.158","0.002","90","","5078.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H84 O3 Si8 -","- C40 H84 O3 Si8 -","- C160 H336 O12 Si32 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057596g","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101078","14.0521","0.0014","20.7447","0.0014","21.518","0.002","90","","120.298","0.003","90","","5415.9","0.8","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H86 O3 Si8 -","- C41 H86 O3 Si8 -","- C164 H344 O12 Si32 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057596g","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101079","10.7998","0.0005","16.5382","0.0005","19.1217","0.0008","101.985","0.002","91.09","0.002","107.392","0.003","3176.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H94 O2 Si6 -","- C63 H94 O2 Si6 -","- C126 H188 O4 Si12 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057596g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101080","14.318","0.004","10.207","0.003","16.772","0.004","90","","102.725","0.005","90","","2391","1.1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H34 N2 O3 S -","- C25 H34 N2 O3 S -","- C100 H136 N8 O12 S4 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4101081","10.416","0.0002","14.1614","0.0002","15.02","0.0002","98.182","0.001","99.956","0.001","103.838","0.001","2079.38","0.06","120","1","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H45 Cl2 F6 Fe P3 -","- C45 H45 Cl2 F6 Fe P3 -","- C90 H90 Cl4 F12 Fe2 P6 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057665r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101082","13.5647","0.0002","15.8974","0.0003","27.956","0.0004","88.863","0.001","78.054","0.001","79.31","0.001","5794.53","0.16","120","1","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C140.5 H147 Fe3 O1.5 P6 -","- C139.75 H141 Fe3 O1.5 P6 -","- C279.5 H282 Fe6 O3 P12 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057665r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101083","14.7336","0.0003","16.8011","0.0003","17.938","0.0003","86.81","0.001","67.92","0.001","82.818","0.001","4082.26","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H96 Fe2 P4 -","- C100 H96 Fe2 P4 -","- C200 H192 Fe4 P8 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057665r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101084","11.1235","0.0003","11.9397","0.0003","20.8638","0.0006","98.742","0.002","95.508","0.002","98.512","0.002","2688.62","0.13","120","1","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62.25 H52.5 Cl0.5 Fe N4 P2 -","- C62.25 H52.5 Cl0.5 Fe N4 P2 -","- C124.5 H105 Cl Fe2 N8 P4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057665r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101085","10.7802","0.0004","17.277","0.0007","24.0417","0.0009","90","","95.523","0.001","90","","4457","0.3","159.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H76 Cl N2 P2 Rh -","- C45 H76 Cl N2 P2 Rh -","- C180 H304 Cl4 N8 P8 Rh4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0576684","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101086","12.9821","0.0011","16.2465","0.0019","21.136","0.003","75.414","0.004","87.661","0.005","88.146","0.005","4309.5","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H162 N0 Nb2 O6 P Si6 -","- C72 H162 Nb2 O6 P Si6 -","- C144 H324 Nb4 O12 P2 Si12 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057747f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101087","9.536","0.001","10.71","0.002","17.567","0.002","90","","95.48","0.01","90","","1785.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","","Wang, Changsheng; Pålsson, Lars-Olof; Batsanov, Andrei S.; Bryce, Martin R.","Molecular wires comprising π-extended ethynyl- and butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives: synthesis, redox, structural and optoelectronic properties.","Journal of the American Chemical Society","2006","","","","","10.1021/ja0577600","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101088","31.526","0.003","6.1185","0.0004","16.6372","0.0014","90","","104.54","0.01","90","","3106.4","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","- C160 H136 N16 O8 -","4","0.5","","Wang, Changsheng; Pålsson, Lars-Olof; Batsanov, Andrei S.; Bryce, Martin R.","Molecular wires comprising π-extended ethynyl- and butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives: synthesis, redox, structural and optoelectronic properties.","Journal of the American Chemical Society","2006","","","","","10.1021/ja0577600","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101089","11.559","0.003","13.703","0.004","22","0.005","105.61","0.01","94.59","0.01","95.14","0.01","3322.9","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H65 Cl9 N4 O4 S2 -","- C69 H65 Cl9 N4 O4 S2 -","- C138 H130 Cl18 N8 O8 S4 -","2","1","","Wang, Changsheng; Pålsson, Lars-Olof; Batsanov, Andrei S.; Bryce, Martin R.","Molecular wires comprising π-extended ethynyl- and butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives: synthesis, redox, structural and optoelectronic properties.","Journal of the American Chemical Society","2006","","","","","10.1021/ja0577600","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101090","24.26","0.007","6.624","0.002","16.348","0.005","90","","92.55","0.01","90","","2624.5","1.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O S4 -","- C29 H26 N2 O S4 -","- C116 H104 N8 O4 S16 -","4","1","","Wang, Changsheng; Pålsson, Lars-Olof; Batsanov, Andrei S.; Bryce, Martin R.","Molecular wires comprising π-extended ethynyl- and butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives: synthesis, redox, structural and optoelectronic properties.","Journal of the American Chemical Society","2006","","","","","10.1021/ja0577600","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101091","9.827","0.001","12.841","0.003","14.572","0.003","105.15","0.01","107.81","0.01","105.96","0.01","1558.7","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H31 N3 O -","- C40 H31 N3 O -","- C80 H62 N6 O2 -","2","1","","Wang, Changsheng; Pålsson, Lars-Olof; Batsanov, Andrei S.; Bryce, Martin R.","Molecular wires comprising π-extended ethynyl- and butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives: synthesis, redox, structural and optoelectronic properties.","Journal of the American Chemical Society","2006","","","","","10.1021/ja0577600","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101092","14.359","0.003","13.611","0.002","28.142","0.005","90","","101.815","0.003","90","","5383.6","1.7","141","2","141","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H64 N8 U -","- C66 H64 N8 U -","- C264 H256 N32 U4 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057808+","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101093","25.246","0.004","9.4223","0.0013","44.649","0.006","90","","93.279","0.003","90","","10604","3","141","2","141","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C113 H132 N8 U Yb2 -","- C113 N8 U Yb2 -","- C452 N32 U4 Yb8 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057808+","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101094","8.226","0.003","21.665","0.005","15.256","0.005","90","","99.48","0.08","90","","2681.7","1.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H40 F6 Fe P4 Si -","- C20 H40 F6 Fe P4 Si -","- C80 H160 F24 Fe4 P16 Si4 -","4","2","","Edwards, Peter G.; Newman, Paul D.","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0578956","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101095","20.252","0.004","8.595","0.002","31.418","0.006","90","","101.56","0.03","90","","5357.9","1.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H76 B2 F8 Fe2 P6 Si4 -","- C38 H76 B2 F8 Fe2 P6 Si4 -","- C152 H304 B8 F32 Fe8 P24 Si16 -","4","1","","Edwards, Peter G.; Newman, Paul D.","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0578956","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101096","10.2959","0.0004","14.3715","0.0005","28.599","0.001","90","","91.094","0.001","90","","4231","0.3","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","SIZ-7","","","- Al19.2 Co12.8 O128 P32 -","- Al19.2 Co12.8 O128 P32 -","- Al19.2 Co12.8 O128 P32 -","1","0.125","","Morris, Russell","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057933l","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101097","17.6481","0.0005","17.6481","0.0005","17.6481","0.0005","90","","90","","90","","5496.6","0.3","100","2","100","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C27 H27 Fe N4 O12 -","- C27 H27 Fe N4 O12 -","- C216 H216 Fe8 N32 O96 -","8","0.666667","","Puerta, David T.","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057954f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101098","9.787","0.002","10.556","0.002","17.863","0.004","107.14","0.03","95","0.03","97.81","0.03","1731.3","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H56 In N3 -","- C37 H56 In N3 -","- C74 H112 In2 N6 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057967t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101099","9.6735","0.0019","10.597","0.002","17.818","0.004","107","0.03","95.17","0.03","97.82","0.03","1714.1","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H56 Ga N3 -","- C37 H56 Ga N3 -","- C74 H112 Ga2 N6 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101100","10.565","0.002","30.24","0.006","12.371","0.003","90","","109.05","0.03","90","","3735.9","1.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H63 N3 Tl -","- C40 H63 N3 Tl -","- C160 H252 N12 Tl4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057967t","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101101","7.8962","0.0015","12.311","0.002","30.247","0.006","90","","90","","90","","2940.2","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C13.3333 H21.3333 O2.66667 -","- C120 H192 O24 -","9","2.25","","Hayashi, Sayuri; Hirano, Koji; Yorimitsu, Hideki; Oshima, Koichiro","Palladium-Catalyzed Stereo- and Regiospecific Allylation of Aryl Halides with Homoallyl Alcohols via Retro-Allylation: Selective Generation and Use of σ-Allylpalladium","Journal of the American Chemical Society","2006","128","7","2210","2211","10.1021/ja058055u","","","","","","","","","","","","","","","","","","","","","has coordinates","133715","2020-10-21","18:00:00",""
"4101102","15.242","0.001","12.5285","0.0008","60.386","0.006","90","","96.158","0.007","90","","11464.6","1.6","130","1","130","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C132 H162 N8 Ni2 O8 -","- C132 H162 N8 Ni2 O8 -","- C528 H648 N32 Ni8 O32 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101103","12.8521","0.0002","13.4583","0.0002","13.5177","0.0002","90","","90","","90","","2338.12","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 F3 N O2 -","- C27 H26 F3 N O2 -","- C108 H104 F12 N4 O8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058287t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101104","7.4972","0.0001","7.9747","0.0001","18.6037","0.0007","90","","90","","90","","1112.28","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 Cl N -","- C11 H16 Cl N -","- C44 H64 Cl4 N4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058287t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101105","20.9807","0.0001","11.3507","0.0001","25.4674","0.0002","90","","107.898","0.0003","90","","5771.44","0.07","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H51 Cl2 Cu2 F12 N4 P5 -","- C54 H51 Cl2 Cu2 F12 N4 P5 -","- C216 H204 Cl8 Cu8 F48 N16 P20 -","4","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178757","2020-10-21","18:00:00",""
"4101106","14.5703","0.0002","15.7547","0.0002","16.3777","0.0002","81.781","0.0005","72.9085","0.0006","86.5873","0.0007","3555.96","0.08","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H48 Cl11 Cu2 F12 N6 P4 -","- C62 H48 Cl10.98 Cu2 F12 N6 P4 -","- C124 H96 Cl21.96 Cu4 F24 N12 P8 -","2","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101107","11.8771","0.0003","16.2862","0.0005","18.4991","0.0006","99.8772","0.0013","103.361","0.0012","93.6767","0.0014","3409.72","0.18","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H49 Cl8 Cu2 F12 N4 P5 -","- C61 H49 Cl7.99 Cu2 F12 N4 P5 -","- C122 H98 Cl15.98 Cu4 F24 N8 P10 -","2","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101108","15.4965","0.0003","15.6184","0.0004","16.5106","0.0003","97.1936","0.001","99.6936","0.001","98.6028","0.0012","3848.06","0.18","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H56 Cl12 Cu2 F12 N6 P4 -","- C70 H56 Cl12 Cu2 F12 N6 P4 -","- C140 H112 Cl24 Cu4 F24 N12 P8 -","2","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101109","11.5631","0.0001","13.1884","0.0001","22.3554","0.0002","84.9123","0.0004","80.6613","0.0004","76.2856","0.0004","3263.59","0.05","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H51 Cl4 Cu2 F12 N4 P5 -","- C67 H51 Cl4 Cu2 F12 N4 P5 -","- C134 H102 Cl8 Cu4 F24 N8 P10 -","2","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101110","12.9509","0.0005","16.0253","0.0008","17.0867","0.0009","84.578","0.002","86.377","0.002","77.343","0.002","3441.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C134 H116 Cl12 Cu4 F24 N12 P8 -","- C134 H116 Cl12 Cu4 F24 N12 P8 -","- C134 H116 Cl12 Cu4 F24 N12 P8 -","1","0.5","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101111","21.0805","0.0008","24.3424","0.001","28.0284","0.0012","90","","106.742","0.0023","90","","13773.1","1","120","2","120","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C135 H112 Cl10 Cu4 F24 N8 P10 -","- C135 H112 Cl10 Cu4 F24 N8 P10 -","- C540 H448 Cl40 Cu16 F96 N32 P40 -","4","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","287954","2023-12-03","21:24:06",""
"4101112","13.525","0.011","19.33","0.02","20.169","0.016","104.45","0.03","107.66","0.02","103.88","0.03","4571","7","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C77.5 H64 Cl13 Cu2 F12 N6 P4 -","- C77.516 H64.036 Cl13.25 Cu2 F12 N6 P4 -","- C155.032 H128.072 Cl26.5 Cu4 F24 N12 P8 -","2","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101113","4.7529","0.0003","10.5673","0.0006","11.9098","0.0006","90","","97.908","0.001","90","","592.48","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 N -","- C8 H5 N -","- C32 H20 N4 -","4","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101114","9.9254","0.0012","12.4074","0.0015","17.8883","0.002","98.6909","0.0064","100.221","0.0064","91.7264","0.0067","2139.4","0.6","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H40 N5 -","- C60 H40 N5 -","- C120 H80 N10 -","2","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101115","10.961","0.004","15.643","0.006","25.006","0.01","99.056","0.006","95.239","0.008","95.683","0.007","4188","3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H17 F39 O2 Sn -","- C31 H17 F39 O2 Sn -","- C124 H68 F156 O8 Sn4 -","4","2","","","A New Strategy for Preparing Molecular Imaging and Therapy Agents Using Fluorine Rich (Fluorous) Soluble Supports","Journal of the American Chemical Society","2006","","","","","10.1021/ja0600375","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101116","28.2132","0.0016","28.2132","0.0016","28.2132","0.0016","90","","90","","90","","22457","2","293","2","293","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C96 H72 Cl1.5 N27 O33 Pd3 -","- C96 H72 Cl1.5 N26.976 O21 Pd3 -","- C384 H288 Cl6 N107.904 O84 Pd12 -","4","0.0833333","","Moon, Dohyun; Kang, Sangmi; Park, Jaejoon; Lee, Kyungjai; John, Rohith P.; Won, Hosik; Seong, Ki Hoon; Kim, Yang Sun; Kim, Ghyung Hwa; Rhee, Hakjune; Lah, Myoung Soo","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060051h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101117","39.1795","0.0019","39.9607","0.0015","39.9519","0.0018","60.638","0.002","60.667","0.001","60.635","0.001","44876","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C216 H192 N48 O24 Pd6 -","- C216 H192 N48 O24 Pd6 -","- C864 H768 N192 O96 Pd24 -","4","2","","Moon, Dohyun; Kang, Sangmi; Park, Jaejoon; Lee, Kyungjai; John, Rohith P.; Won, Hosik; Seong, Ki Hoon; Kim, Yang Sun; Kim, Ghyung Hwa; Rhee, Hakjune; Lah, Myoung Soo","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060051h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101118","7.133","0.003","14.737","0.006","7.681","0.003","90","","90","","90","","807.4","0.6","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Yb4MgGe4","","","- Ge4 Mg0.96 Yb4.04 -","- Ge4 Mg0.956 Yb4.044 -","- Ge16 Mg3.824 Yb16.176 -","4","0.5","","Tobash, Paul H.; Bobev, Svilen","Structure and Bonding in Yb4MgGe4: Yb2+/Yb3+ Mixed-Valency and Charge-Ordering","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601383","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101119","7.101","0.003","14.649","0.006","7.64","0.003","90","","90","","90","","794.6","0.5","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge4 Mg1.24 Yb3.76 -","- Ge4 Mg1.24 Yb3.76 -","- Ge16 Mg4.96 Yb15.04 -","4","0.5","","Tobash, Paul H.; Bobev, Svilen","Structure and Bonding in Yb4MgGe4: Yb2+/Yb3+ Mixed-Valency and Charge-Ordering","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601383","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101120","7.0599","0.0011","14.565","0.002","7.6248","0.0012","90","","90","","90","","784.1","0.2","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge4 Mg1.55 Yb3.45 -","- Ge4 Mg1.558 Yb3.442 -","- Ge16 Mg6.232 Yb13.768 -","4","0.5","","Tobash, Paul H.; Bobev, Svilen","Structure and Bonding in Yb4MgGe4: Yb2+/Yb3+ Mixed-Valency and Charge-Ordering","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601383","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101121","10.2841","0.0007","17.8887","0.0013","14.9131","0.0011","90","","94.67","0.001","90","","2734.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H47 Fe N2 O S3 -","- C20 H47 Fe N2 O S3 -","- C80 H188 Fe4 N8 O4 S12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060186n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178757","2020-10-21","18:00:00",""
"4101122","11.8365","0.001","12.5824","0.0011","5.7587","0.0005","90","","110.07","0.001","90","","805.57","0.12","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C8 H18 Fe2 N4 O4 S2 -","- C8 H18 Fe2 N4 O4 S2 -","- C16 H36 Fe4 N8 O8 S4 -","2","0.25","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060186n","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101123","10.0583","0.0003","5.8983","0.0002","15.2143","0.0004","90","","90","","90","","902.62","0.05","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H4 O4 -","- C12 H4 O4 -","- C48 H16 O16 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0602647","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101124","12.4261","0.0003","13.0149","0.0003","17.3641","0.0006","73.4934","0.001","74.3341","0.0012","63.548","0.002","2376.69","0.11","103","2","103","2","","","","","","","","4","P -1","-P 1","2","2-stannanaphthalene","","","- C40 H74 Si6 Sn -","- C40 H74 Si6 Sn -","- C80 H148 Si12 Sn2 -","2","1","","Yoshiyuki Mizuhata; Takahiro Sasamori; Nobuhiro Takeda; Norihiro Tokitoh","A Stable Neutral Stannaaromatic Compound: Synthesis, Structure and Complexation of a Kinetically Stabilized 2-Stannanaphthalene","Journal of the American Chemical Society","2006","","","","","10.1021/ja057531d","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101125","9.5178","0.0004","13.128","0.0007","22.1764","0.0008","79.6768","0.0018","82.5522","0.0015","82.2722","0.0018","2685.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","2-stannanaphthalene_Cr_complex","","","- C43 H74 Cr O3 Si6 Sn -","- C43 H74 Cr O3 Si6 Sn -","- C86 H148 Cr2 O6 Si12 Sn2 -","2","1","","Yoshiyuki Mizuhata; Takahiro Sasamori; Nobuhiro Takeda; Norihiro Tokitoh","A Stable Neutral Stannaaromatic Compound: Synthesis, Structure and Complexation of a Kinetically Stabilized 2-Stannanaphthalene","Journal of the American Chemical Society","2006","","","","","10.1021/ja057531d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4101126","10.024","0.002","12.426","0.003","33.403","0.007","90","","90","","90","","4160.7","1.4","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Br N O4 -","- C23 H24 Br N O4 -","- C184 H192 Br8 N8 O32 -","8","2","","Cara L. Nygren; Philip Coppens","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057768+","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101127","9.047","0.0005","21.1758","0.0006","13.6531","0.0009","90","","90","","90","","2615.6","0.2","173.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C112 H144 O24 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0561082","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101128","13.5842","0.0007","11.6824","0.0006","7.5787","0.0003","90","","94.8997","0.0014","90","","1198.31","0.1","173.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C48 H52 N4 O20 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0561082","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101129","7.1779","0.0004","8.0341","0.0001","11.3321","0.0004","107.491","0.0011","90.231","0.005","94.366","0.006","621.23","0.04","173.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C26 H32 O8 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0561082","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101130","10.0055","0.0001","27.7679","0.0006","24.2432","0.0006","90","","97.678","0.001","90","","6675.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H85 B2 N5 U -","- C78 H85 B2 N5 U -","- C312 H340 B8 N20 U4 -","4","1","","Maynadié, J.; Berthet, J. C.; Thuéry, P.; Ephritikhine, M.","An Unprecedented Type of Linear Metallocene with an f-Element","Journal of the American Chemical Society","2006","128","4","1082","1083","10.1021/ja057226s","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101131","21.0005","0.0005","19.4352","0.0005","22.9247","0.0003","90","","116.103","0.001","90","","8402.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H52.5 I2 N7.5 U -","- C35 H52.5 I2 N7.5 U -","- C280 H420 I16 N60 U8 -","8","1","","Maynadié, J.; Berthet, J. C.; Thuéry, P.; Ephritikhine, M.","An Unprecedented Type of Linear Metallocene with an f-Element","Journal of the American Chemical Society","2006","128","4","1082","1083","10.1021/ja057226s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101132","3.73","0.003","12.589","0.008","16.7","0.01","90","","94.6","0.02","90","","781.6","1","293.1","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C18 H8 N5 S2 -","- C18 H8 N5 S2 -","- C36 H16 N10 S4 -","2","0.5","","Yoshikatsu Umezono; Wataru Fujita; Kunio Awaga","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057207i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101133","7.212","0.004","13.392","0.008","14.121","0.009","115.484","0.007","101.65","0.007","90.923","0.006","1197.5","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H8 Co N6 S8 -","- C20 H8 Co N6 S8 -","- C40 H16 Co2 N12 S16 -","2","1","","Yoshikatsu Umezono; Wataru Fujita; Kunio Awaga","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057207i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101134","7.0174","0.0017","7.2752","0.0018","12.901","0.004","78.989","0.009","79.253","0.009","70.956","0.008","605.6","0.3","253","2","253","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H8 Co N6 S8 -","- C20 H8 Co N6 S8 -","- C20 H8 Co N6 S8 -","1","0.5","","Yoshikatsu Umezono; Wataru Fujita; Kunio Awaga","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057207i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101135","5.572","0.0004","15.1926","0.001","23.0749","0.0015","90","","93.661","0.001","90","","1949.4","0.2","173","","446","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 O3 -","- C26 H22 O3 -","- C104 H88 O12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054144v","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101136","10.769","0.0003","12.4573","0.0005","13.6139","0.0005","92.427","0.002","95.63","0.002","110.941","0.002","1691.58","0.1","90","0.2","90","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Al Br N2 O2 -","- C36 H46 Al Br N2 O2 -","- C72 H92 Al2 Br2 N4 O4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101137","19.338","0.0004","15.3855","0.0003","23.7586","0.0006","90","","103.843","0.0009","90","","6863.4","0.3","90","0.2","90","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C75.5 H79 Al Br N2 O10 P2 -","- C75.5 H79 Al Br N2 O10 P2 -","- C302 H316 Al4 Br4 N8 O40 P8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101138","18.9792","0.0004","9.7445","0.0002","35.3217","0.0007","90","","90","","90","","6532.5","0.2","90","0.2","90","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32.25 H46 Al Br Cl0.5 N2 O2 -","- C32.25 H46 Al Br Cl0.5 N2 O2 -","- C258 H368 Al8 Br8 Cl4 N16 O16 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101139","14.418","0.0002","14.8094","0.0002","17.2404","0.0003","76.0377","0.0006","69.8258","0.0006","85.9439","0.0006","3352.95","0.09","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C33.5 H49 Al Br Cl N2 O2 -","- C33.5 H49 Al Br Cl N2 O2 -","- C134 H196 Al4 Br4 Cl4 N8 O8 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101140","22.3928","0.0002","22.5503","0.0002","25.8204","0.0003","90","","90","","90","","13038.4","0.2","90","0.2","90","0.2","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C76 H86 Al Br N2 O4 P2 -","- C76 H86 Al Br N2 O4 P2 -","- C608 H688 Al8 Br8 N16 O32 P16 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178757","2020-10-21","18:00:00",""
"4101141","22.612","0.0003","22.858","0.0003","26.785","0.0004","90","","90","","90","","13844.2","0.3","90","0.2","90","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76.99 H81.7 Al Br N2 O4 P2 -","- C77.215 H81.96 Al Br N2 O4 P2 -","- C617.72 H655.68 Al8 Br8 N16 O32 P16 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101142","16.117","0.002","13.657","0.002","25.154","0.003","90","","98.734","0.006","90","","5472.2","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Parquette 1316","","","- C60 H46 Cl3 N13 O6 -","- C60 H46 Cl3 N13 O6 -","- C240 H184 Cl12 N52 O24 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0547228","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101145","10.1148","0.0002","8.9482","0.0002","14.6993","0.0003","90","","99.35","0.001","90","","1312.75","0.05","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 B N O4 S -","- C11 H16 B N O4 S -","- C44 H64 B4 N4 O16 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101146","18.258","0.0004","9.55","0.0003","18.426","0.0007","90","","117.171","0.0011","90","","2858.28","0.15","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 B N O2 -","- C8.5 H9 B0.5 N0.5 O -","- C68 H72 B4 N4 O8 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101147","18.258","0.0004","9.55","0.0003","18.426","0.0007","90","","117.171","0.0011","90","","2858.28","0.15","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 B N O2 -","- C8.5 H9 B0.5 N0.5 O -","- C68 H72 B4 N4 O8 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101148","9.5572","0.0002","51.067","0.002","10.1724","0.0002","90","","100.822","0.001","90","","4876.4","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H66 B3 N3 O9 -","- C54 H66 B3 N3 O9 -","- C216 H264 B12 N12 O36 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101149","10.0661","0.0002","16.1843","0.0003","9.0642","0.0002","90","","95.744","0.001","90","","1469.26","0.05","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 B N O2 -","- C16 H20 B N O2 -","- C64 H80 B4 N4 O8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101150","33.596","0.002","8.7123","0.0005","14.2628","0.0012","90","","107.395","0.002","90","","3983.8","0.5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 B N O4.5 -","- C21 H25 B N O4.5 -","- C168 H200 B8 N8 O36 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101152","29.184","0.003","29.184","0.003","29.184","0.003","90","","90","","90","","24856","4","258","2","258","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","IRMOF-20","","","- C24 H6 O13 S6 Zn4 -","- C24 H6 O13 S6 Zn4 -","- C192 H48 O104 S48 Zn32 -","8","0.0416667","","Jesse L. C. Rowsell; Omar M. Yaghi","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056639q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4101153","7.5561","0.0008","17.312","0.002","8.2565","0.0009","90","","96.014","0.009","90","","1074.1","0.2","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H16 S2.75 -","- C28 H16 S2.752 -","- C56 H32 S5.504 -","2","0.5","","Miao, Qian; Chi, Xiaoliu; Zeis, Roswitha; Lefenfeld, Michael; Kloc, Christian; Siegrist, Theo; Steigerwald, Michael; Nuckolls, Colin","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0570786","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101154","41.284","0.008","6.462","0.002","21.078","0.005","90","","98.616","0.018","90","","5560","2","293","","293","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C41 H27 -","- C41 H27 -","- C328 H216 -","8","1","","Miao, Qian; Chi, Xiaoliu; Zeis, Roswitha; Lefenfeld, Michael; Kloc, Christian; Siegrist, Theo; Steigerwald, Michael; Nuckolls, Colin","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0570786","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101155","27.8621","0.0015","8.0786","0.0004","16.0279","0.0009","90","","116.755","0.005","90","","3221.4","0.3","293","","293","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 -","- C46 H30 -","- C184 H120 -","4","0.5","","Miao, Qian; Chi, Xiaoliu; Zeis, Roswitha; Lefenfeld, Michael; Kloc, Christian; Siegrist, Theo; Steigerwald, Michael; Nuckolls, Colin","Organization of Acenes with a Cruciform Assembly Motif","Journal of the American Chemical Society","2006","","","","","10.1021/ja0570786","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101156","15.5345","0.0008","15.5352","0.0009","19.5287","0.0008","90.021","0.004","90.022","0.004","90","","4712.9","0.4","293","","293","","","","","","","","","2","P 41","P 4w","76","","","","- C34 H22 -","- C34 H22 -","- C272 H176 -","8","2","","Miao, Qian; Chi, Xiaoliu; Zeis, Roswitha; Lefenfeld, Michael; Kloc, Christian; Siegrist, Theo; Steigerwald, Michael; Nuckolls, Colin","Organization of Acenes with a Cruciform Assembly Motif","Journal of the American Chemical Society","2006","","","","","10.1021/ja0570786","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101157","6.1995","0.0007","11.0201","0.0013","14.7","0.0015","95.66","0.009","96.6","0.009","104.52","0.01","957.25","0.19","293","","293","","","","","","","","","2","P -1","-P 1","2","","","","- C58 H38 -","- C58 H38 -","- C58 H38 -","1","0.5","","Miao, Qian; Chi, Xiaoliu; Zeis, Roswitha; Lefenfeld, Michael; Kloc, Christian; Siegrist, Theo; Steigerwald, Michael; Nuckolls, Colin","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101158","6.435","0.002","12.833","0.005","25.451","0.009","90","","96.176","0.009","90","","2089.7","1.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H30 N2 O2 S -","- C22 H30 N2 O2 S -","- C88 H120 N8 O8 S4 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101159","7.8223","0.0002","12.1238","0.0004","13.68","0.0005","79.9835","0.0013","85.0292","0.0012","84.0344","0.0018","1267.55","0.07","130","2","130","2","","","","","","","","5","P -1","-P 1","2","(tBuPCP)PdOOH","","","- C24 H44 O2 P2 Pd -","- C24 H44 O2 P2 Pd -","- C48 H88 O4 P4 Pd2 -","2","1","","Melanie C. Denney; Antonio G. DiPasquale; Karen I. Goldberg","Direct Observation of Insertion of Molecular Oxygen into a Palladium(II) Hydride Bond","Journal of the American Chemical Society","2006","","","","","10.1021/ja0562292","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101160","17.548","0.004","6.819","0.0014","18.261","0.004","90","","115.4","0.03","90","","1973.8","0.7","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl8 Ir2 K2 N6 O2 S2 -","- C22 H26 Cl8 Ir2 K2 N6 O2 S2 -","- C44 H52 Cl16 Ir4 K4 N12 O4 S4 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0565976","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101161","12.242","0.0002","9.6351","0.0002","15.1197","0.0002","90","","104.127","0.0007","90","","1729.48","0.05","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H27 N3 O5 Os -","- C13 H27 N3 O5 Os -","- C52 H108 N12 O20 Os4 -","4","1","","Donohoe, Timothy J.; Chughtai, Majid J.; Klauber, David J.; Griffin, David; Campbell, Andrew D.","N-Sulfonyloxy Carbamates as Reoxidants for the Tethered Aminohydroxylation Reaction","Journal of the American Chemical Society","2006","128","8","2514","2515","10.1021/ja057389g","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4101162","26.583","0.0006","6.453","0.0002","14.3538","0.0003","90","","100.736","0.0011","90","","2419.15","0.11","230","","230","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C104 H120 N8 O32 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057389g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101163","9.7755","0.0002","16.823","0.0004","10.3983","0.0002","90","","104.89","0.001","90","","1652.6","","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H27 N3 O5 Os -","- C13 H27 N3 O5 Os -","- C52 H108 N12 O20 Os4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057389g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101164","12.797","0.003","21.064","0.004","20.183","0.005","90","","91.6","0.01","90","","5439","2","123.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H70 F6 N O4 P -","- C64 H70 F6 N O4 P -","- C256 H280 F24 N4 O16 P4 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058066n","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101165","12.717","0.002","12.918","0.003","31.47","0.006","90","","90","","90","","5170.1","1.8","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C59 H48 Cl6 I N -","- C59 H48 Cl6 I N -","- C236 H192 Cl24 I4 N4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058066n","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101166","9.8937","0.0013","10.0629","0.0014","13.0908","0.0018","90","","90","","90","","1303.3","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Br O3 -","- C14 H11 Br O3 -","- C56 H44 Br4 O12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058337u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101167","6.3868","0.0001","11.2128","0.0002","13.866","0.0002","90","","90","","90","","993","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058337u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101168","6.106","0.004","13.973","0.006","16.979","0.008","81.21","0.02","87.89","0.02","76.99","0.02","1394","1","123.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C22 H20 Cl O P -","- C22 H20 Cl O P -","- C66 H60 Cl3 O3 P3 -","3","3","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058763f","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101169","11.825","0.003","11.717","0.003","21.291","0.007","90","","100.88","0.01","90","","2896","1","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C74 H52 O3 P3 Rh -","- C74 H68 O3 P3 Rh -","- C148 H136 O6 P6 Rh2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058763f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101170","9.905","0.002","11.443","0.002","18.969","0.004","90","","90","","90","","2150","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O5 S -","- C22 H25 N O5 S -","- C88 H100 N4 O20 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101171","11.436","0.002","11.652","0.002","19.448","0.004","90","","90","","90","","2591.5","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 S -","- C25 H31 N O5 S -","- C100 H124 N4 O20 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101172","8.2347","0.0016","15.6","0.003","9.5307","0.0019","90","","96.28","0.03","90","","1216.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 N O5 S -","- C24 H33 N O5 S -","- C48 H66 N2 O10 S2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101173","8.0643","0.0012","9.0916","0.0013","16.245","0.002","74.529","0.002","85.901","0.002","66.559","0.002","1052.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 N O7 S -","- C20 H25 N O7 S -","- C40 H50 N2 O14 S2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101174","8.264","0.0017","14.793","0.003","15.532","0.003","90","","90","","90","","1898.8","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O6 S -","- C18 H22 N2 O6 S -","- C72 H88 N8 O24 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101175","6.5673","0.0013","10.51","0.002","57.502","0.012","90","","90","","90","","3968.9","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O6 S -","- C16 H26 N2 O6 S -","- C128 H208 N16 O48 S8 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101176","12.41","0","15.272","0.001","10.445","0.001","90","","90","","90","","1980.3","0","273.1","","","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C13 H27 Cu F3 N3 O3 S -","- C13 H27 Cu F3 N3 O3 S -","- C52 H108 Cu4 F12 N12 O12 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056740v","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101177","29.9887","0.0015","11.6969","0.0006","18.9215","0.001","90","","104.968","0.001","90","","6412","0.6","184","","184","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H50 B2 Cu2 F8 N4 O2 -","- C20 H50 B2 Cu2 F8 N4 O2 -","- C160 H400 B16 Cu16 F64 N32 O16 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056740v","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101178","11.0148","0.0005","14.1617","0.0006","17.5859","0.0008","90","","94.594","0.001","90","","2734.4","0.2","105","","105","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N2 Pt -","- C32 H34 N2 Pt -","- C128 H136 N8 Pt4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056694z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101179","17.091","0.002","16.383","0.0019","22.603","0.003","90","","90","","90","","6328.8","1.3","105","","105","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H36 Cl2 N2 Pt -","- C33 H36 Cl2 N2 Pt -","- C264 H288 Cl16 N16 Pt8 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056694z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101180","18.344","0.007","45.211","0.011","14.761","0.007","90","","90","","90","","12242","8","105","","105","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C29 H32 F3 N3 O3 Pt S -","- C29 H32 F3 N3 O3 Pt S -","- C464 H512 F48 N48 O48 Pt16 S16 -","16","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056694z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101181","12.6024","0.0015","22.658","0.003","12.0934","0.0014","90","","110.947","0.002","90","","3225","0.7","105","","105","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 F3 N3 O3 Pt S -","- C31 H36 F3 N3 O3 Pt S -","- C124 H144 F12 N12 O12 Pt4 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056694z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101182","16.463","0.003","21.11","0.002","18.285","0.004","90","","94.98","0.018","90","","6330.7","2","105","","105","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H78 Cl2 N4 Pt2 -","- C69 H78 Cl2 N4 Pt2 -","- C276 H312 Cl8 N16 Pt8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056694z","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101183","12.7851","0.0011","12.9026","0.001","19.7686","0.0017","90","","90","","90","","3261","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H41 O5 P -","- C38 H41 O5 P -","- C152 H164 O20 P4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056018x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101184","12.9631","0.0015","14.1557","0.0016","19.252","0.002","90","","90","","90","","3532.8","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl N O3 -","- C19 H20 Cl N O3 -","- C152 H160 Cl8 N8 O24 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056018x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101185","10.4359","0.001","26.531","0.003","12.5068","0.0012","90","","107.108","0.002","90","","3309.7","0.6","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 Cl N6 O12 S2 Zn -","- C26 H35 Cl N6 O12 S2 Zn -","- C104 H140 Cl4 N24 O48 S8 Zn4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056631g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178757","2020-10-21","18:00:00",""
"4101186","12.221","0.001","12.833","0.002","15.86","0.003","81.03","0.01","83.57","0.02","62.24","0.01","2172","0.6","123.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H48 Cl2 Cu2 N8 O10 -","- C40 H42 Cl2 Cu2 N8 O10 -","- C80 H84 Cl4 Cu4 N16 O20 -","2","1","","Takahiro Matsumoto; Masashi Kobino; Masato Tomii; Hideki Hayashi; Furutachi, Hideki; Shigenori Nagatomo; Takehiko Tosha; Takao Osako; Fujinami, Shuhei; Shinobu Itoh; Teizo Kitagawa; Suzuki, Masatastu","Arene Hydroxylation versus Styrene Epoxidation by (m-h2:h2)perpxodicopper(II) Complexes Supported by Dinucleating Ligands","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101187","35.04","0.006","39.364","0.005","11.877","0.002","90","","90","","90","","16382","4","123.2","","","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C37 H43 Cu2 F12 N6 O2.5 P2 -","- C37 H39 Cu2 F12 N6 O2.5 P2 -","- C592 H624 Cu32 F192 N96 O40 P32 -","16","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101188","32.968","0.0013","32.968","0.0013","80.783","0.005","90","","90","","120","","76039","6","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","PCN-6","","","- C48 H30 Cu3 N6 O15 -","- C48 H24 Cu3 N6 O15 -","- C1152 H576 Cu72 N144 O360 -","24","0.666667","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058777l","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101189","13.135","0.003","17.211","0.003","20.129","0.004","90","","90","","90","","4550.6","1.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H26 Cl N O4 -","- C27 H26 Cl N O4 -","- C216 H208 Cl8 N8 O32 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0602997","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101190","9.6131","0.0019","10.559","0.002","11.683","0.002","104.27","0.03","97.57","0.03","97.47","0.03","1122.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C54 H54 N2 O8 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101191","17.7336","0.0007","9.2878","0.0004","17.2333","0.0007","90","","98.468","0.001","90","","2807.5","0.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H39 O15 Rh S2 -","- C18 H39 O15 Rh S2 -","- C72 H156 O60 Rh4 S8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057347s","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101192","11.427","0.016","14.797","0.015","14.995","0.013","90","","90","0.13","90","","2535","5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl O22 Rh3 -","- C12 H28 Cl O22 Rh3 -","- C48 H112 Cl4 O88 Rh12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057347s","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101193","6.3692","0.0015","11.781","0.003","23.498","0.005","90","","90","","90","","1763.1","0.7","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl2 N O3 -","- C17 H17 Cl2 N O3 -","- C68 H68 Cl8 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060312n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101194","10.334","0.003","6.0435","0.0017","10.356","0.003","90","","115.723","0.005","90","","582.7","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 Cl N2 O -","- C13 H9 Cl N2 O -","- C26 H18 Cl2 N4 O2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060312n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101195","19.6744","0.0003","6.3916","0.0001","20.4343","0.0004","90","","107.57","0.001","90","","2449.75","0.07","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 N2 P -","- C26 H37 N2 P -","- C104 H148 N8 P4 -","4","1","","Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Du Mont, Wolf-Walter","P-Hydrogen substituted 1,3,2-Diazaphospholenes: Molecular Hydrides","Journal of the American Chemical Society","2006","","","","","10.1021/ja057827j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101196","12.964","0.0004","17.3985","0.0006","7.3944","0.0002","90","","90","","90","","1667.84","0.09","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Cl3 Ge N2 P -","- C10 H20 Cl3 Ge N2 P -","- C40 H80 Cl12 Ge4 N8 P4 -","4","0.5","","Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Du Mont, Wolf-Walter","P-Hydrogen substituted 1,3,2-Diazaphospholenes: Molecular Hydrides","Journal of the American Chemical Society","2006","","","","","10.1021/ja057827j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101197","12.7132","0.0003","17.4583","0.0005","7.7723","0.0002","90","","90","","90","","1725.07","0.08","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Cl3 N2 P Sn -","- C10 H20 Cl3 N2 P Sn -","- C40 H80 Cl12 N8 P4 Sn4 -","4","0.5","","Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Du Mont, Wolf-Walter","P-Hydrogen substituted 1,3,2-Diazaphospholenes: Molecular Hydrides","Journal of the American Chemical Society","2006","","","","","10.1021/ja057827j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101198","11.5033","0.0012","33.861","0.004","11.8212","0.0013","90","","111.056","0.002","90","","4297.1","0.8","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H61 B Cl2 F4 N2 Os P2 -","- C38 H61 B Cl2 F4 N2 Os P2 -","- C152 H244 B4 Cl8 F16 N8 Os4 P8 -","4","1","","Bolaño, T.; Castarlenas, R.; Esteruelas, M. A.; Oñate, E.","Assembly of an Allenylidene Ligand, a Terminal Alkyne, and an Acetonitrile Molecule: Formation of Osmacyclopentapyrrole Derivatives","Journal of the American Chemical Society","2006","","","","","10.1021/ja058355b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178757","2020-10-21","18:00:00",""
"4101199","10.8367","0.0016","14.352","0.002","14.489","0.002","84.14","0.002","83.248","0.003","81.579","0.002","2205.4","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H65 B F4 N2 Os P2 -","- C45 H65 B F4 N2 Os P2 -","- C90 H130 B2 F8 N4 Os2 P4 -","2","1","","Bolaño, T.; Castarlenas, R.; Esteruelas, M. A.; Oñate, E.","Assembly of an Allenylidene Ligand, a Terminal Alkyne, and an Acetonitrile Molecule: Formation of Osmacyclopentapyrrole Derivatives","Journal of the American Chemical Society","2006","","","","","10.1021/ja058355b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101200","11.3003","0.0014","10.9934","0.0013","38.071","0.005","90","","94.455","0.002","90","","4715.3","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H68 B F4 N3 Os P2 -","- C47 H68 B F4 N3 Os P2 -","- C188 H272 B4 F16 N12 Os4 P8 -","4","1","","Bolaño, T.; Castarlenas, R.; Esteruelas, M. A.; Oñate, E.","Assembly of an Allenylidene Ligand, a Terminal Alkyne, and an Acetonitrile Molecule: Formation of Osmacyclopentapyrrole Derivatives","Journal of the American Chemical Society","2006","","","","","10.1021/ja058355b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101201","17.5521","0.0009","12.609","0.0006","11.3366","0.0005","90","","93.004","0.001","90","","2505.5","0.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 Cl4 Ir N2 -","- C22 H29 Cl4 Ir N2 -","- C88 H116 Cl16 Ir4 N8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058253l","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101202","8.9105","0.0005","14.2032","0.0007","16.0373","0.0008","90","","90","","90","","2029.64","0.18","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 I Ir N2 -","- C21 H26 I Ir N2 -","- C84 H104 I4 Ir4 N8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058253l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101203","24.918","0.006","10.095","0.004","18.647","0.005","90","","133.96","0.02","90","","3376.4","1.8","299","2","299","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C31 H56 N2 O4 S Si -","- C31 H56 N2 O4 S Si -","- C124 H224 N8 O16 S4 Si4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101204","11.0305","0.0004","13.8404","0.0006","32.098","0.002","90","","90","","90","","4900.29","","","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H67 N3 O7 S Si -","- C48 H67 N3 O7 S Si -","- C192 H268 N12 O28 S4 Si4 -","4","1","","B.Junker; M.Reggelin; D.Schollmeyer","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101205","17.42","0.004","20.435","0.003","17.513","0.004","90","","101.58","0.01","90","","6107","2","194","2","194","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H50 N2 O3 S Si -","- C28 H50 N2 O3 S Si -","- C224 H400 N16 O24 S8 Si8 -","8","4","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101206","7.38","0.002","14.304","0.003","16.996","0.008","90","","93.16","0.03","90","","1791.4","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H50 N2 O3 S Si -","- C34 H50 N2 O3 S Si -","- C68 H100 N4 O6 S2 Si2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101207","11.286","0.001","11.286","0.001","27.256","0.002","90","","90","","90","","3471.7","0.5","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C34 H50 N2 O3 S Si -","- C34 H50 N2 O3 S Si -","- C136 H200 N8 O12 S4 Si4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101208","6.0661","0.0006","14.1382","0.0016","10.9152","0.0015","90","","92.357","0.007","90","","935.34","0.19","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N O3 -","- C20 H29 N O3 -","- C40 H58 N2 O6 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101209","16.803","0.004","16.803","0.004","5.941","0.001","90","","90","","120","","1452.7","0.5","303","2","303","2","","","","","","","","4","P 31","P 31","144","","","","- C18 H33 N O4 -","- C18 H33 N O4 -","- C54 H99 N3 O12 -","3","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101210","10.29","0.002","10.29","0.002","32.797","0.004","90","","90","","120","","3007.4","0.9","293","2","293","2","","","","","","","","4","P 61","P 61","169","","","","- C18 H33 N O4 -","- C18 H33 N O4 -","- C108 H198 N6 O24 -","6","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101211","10.316","0.001","10.316","0.001","32.838","0.006","90","","90","","120","","3026.4","0.7","299","2","299","2","","","","","","","","4","P 65","P 65","170","","","","- C18 H33 N O4 -","- C18 H33 N O4 -","- C108 H198 N6 O24 -","6","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101212","6.1354","0.0009","14.4848","0.0017","9.895","0.002","90","","92.369","0.008","90","","878.618","","","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C38 H54 N2 O6 -","2","1","","J.W.Bats; T.Heinrich; M.Reggelin","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101213","14.215","0.003","23.235","0.005","22.908","0.005","90","","101.95","0.009","90","","7402","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H52 Cl N2 Pd -","- C39 H52 Cl N2 Pd -","- C312 H416 Cl8 N16 Pd8 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057704z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101214","21.2965","0.001","14.2551","0.0006","22.542","0.001","90","","98.584","0.001","90","","6766.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H47 Cl N2 O0.25 Pd -","- C33 H47 Cl N2 O0.25 Pd -","- C264 H376 Cl8 N16 O2 Pd8 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057704z","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101215","13.2878","0.0005","14.6364","0.0005","34.7981","0.0012","90","","90","","90","","6767.7","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H47 Cl N2 Pd -","- C36 H47 Cl N2 Pd -","- C288 H376 Cl8 N16 Pd8 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057704z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101216","10.1232","0.0008","17.8619","0.0014","16.4421","0.0013","90","","90.287","0.001","90","","2973","0.4","396","2","396","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Pd(IPr)(MeCH2CHCH2)Cl]","","","- C31 H44 Cl N2 Pd -","- C31 H44 Cl N2 Pd -","- C124 H176 Cl4 N8 Pd4 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057704z","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101217","14.196","0.004","25.572","0.007","21.63","0.006","90","","97.731","0.005","90","","7780","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H108 Ge9 K3 N6 Ni O19 -","- C55 H108 Ge9 K3 N6 Ni O19 -","- C220 H432 Ge36 K12 N24 Ni4 O76 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058652g","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101218","11.9064","0.0015","11.9064","0.0015","25.724","0.007","90","","90","","120","","3158.1","1","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C44 H80 Ge9 K2 N4 Ni2 O13 -","- C43.99 H81.96 Ge9 K2 N4 Ni2 O13 -","- C87.98 H163.92 Ge18 K4 N8 Ni4 O26 -","2","0.166667","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058652g","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101219","14.6754","0.0008","15.2504","0.0008","21.3415","0.0012","82.578","0.003","87.789","0.004","69.499","0.003","4436.2","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H121 Ge9 K3 N8 Ni2 O18 -","- C64 H115 Ge9 K3 N8 Ni2 O18 -","- C128 H230 Ge18 K6 N16 Ni4 O36 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058652g","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101220","17.254","0.003","23.182","0.004","21.302","0.004","90","","96.909","0.004","90","","8458","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H124 Ge9 K3 N10 Ni1.74 O18 -","- C58 H124.03 Ge9 K3 N10 Ni1.735 O18 -","- C232 H496.12 Ge36 K12 N40 Ni6.94 O72 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058652g","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101221","18.3869","0.0006","12.6293","0.0004","17.7726","0.0006","90","","103.199","0.001","90","","4018","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H60 Fe N4 -","- C45 H60 Fe N4 -","- C180 H240 Fe4 N16 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057165y","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101222","10.5181","0.0008","12.1422","0.0011","15.0667","0.0014","96.056","0.004","93.086","0.004","103.537","0.003","1854.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H54 Fe N4 -","- C42 H54 Fe N4 -","- C84 H108 Fe2 N8 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057165y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101223","9.8953","0.0015","17.475","0.002","13.3535","0.001","90","","106.336","0.007","90","","2215.9","0.5","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O7 -","- C25 H25 N O7 -","- C100 H100 N4 O28 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101224","12.8791","0.0015","16.3859","0.0016","19.941","0.002","90","","90","","90","","4208.3","0.8","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 Br N O7 -","- C22 H20 Br N O7 -","- C176 H160 Br8 N8 O56 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4101225","7.9649","0.0011","16.527","0.003","20.98","0.004","90","","98.747","0.01","90","","2729.6","0.8","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Br Cl3 D N O7 -","- C26 H24 Br Cl3 D N O7 -","- C104 H96 Br4 Cl12 D4 N4 O28 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101226","7.179","0.002","14.634","0.005","22.134","0.007","90","","91.121","0.014","90","","2324.9","1.3","296.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Co3 N24 O6 W2 -","- C32 H16 Co3 N24 O6 W2 -","- C64 H32 Co6 N48 O12 W4 -","2","0.5","","Ohkoshi Shin-ichi; Satoru Ikeda; Toshiya Hozumi; Toshinori Kashiwagi; Kazuhito Hashimoto","Photo-induced magnetization with a high magnetic ordering temperature and a large coercive field in a cyano-bridged cobalt-tungstate bimetal assembly","Journal of the American Chemical Society","2006","","","","","10.1021/ja060510e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101227","14.3846","0.0016","20.739","0.002","30.895","0.004","90","","100.687","0.002","90","","9057","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H116 B K N4 O6 -","- C104 H116 B K N4 O6 -","- C416 H464 B4 K4 N16 O24 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060502y","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101228","6.8108","0.0015","14.658","0.003","9.791","0.002","90","","107.796","0.006","90","","930.6","0.3","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 N3 O6 -","- C19 H24 N3 O6 -","- C38 H48 N6 O12 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060846o","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101229","46.324","0.005","42.268","0.004","41.896","0.004","90","","112.549","0.002","90","","75763","13","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- H1262 K43 Mo214 Na11 O1404 S12 V34 -","- K21 Mo213.6 O1002.72 S12 V30 -","- K42 Mo427.2 O2005.44 S24 V60 -","2","0.25","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060886s","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101230","9.1533","0.0003","10.3494","0.0003","10.603","0.0003","92.71","0.0018","108.658","0.0018","114.178","0.0013","849.49","0.04","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C36 H52 O8 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060877j","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101231","6.3238","0.0009","7.478","0.001","17.941","0.002","94.542","0.008","93.456","0.007","90.805","0.006","844.1","0.2","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C38 H42 N2 O8 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060877j","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101232","10.0475","0.0002","12.3317","0.0007","20.1691","0.0005","72.591","0.008","89.716","0.008","81.637","0.003","2357.2","0.2","273.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H82 Ni2 O2 P2 -","- C46 H82 Ni2 O2 P2 -","- C92 H164 Ni4 O4 P4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101233","9.5584","0.0007","16.3202","0.0013","16.2667","0.0013","90","","94.116","0.001","90","","2531","0.3","243","2","243","2","","","","","","","","4","P 1 21 1","P 2yb","4","(anthracene)Mo(PMe3)3","","","- C23 H37 Mo P3 -","- C23 H37 Mo P3 -","- C92 H148 Mo4 P12 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058107f","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101234","16.0464","0.0019","9.5126","0.0012","29.522","0.004","90","","90","","90","","4506.3","1","243","2","243","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(NpH)Mo(PMe3)3","","","- C19 H35 Mo P3 -","- C19 H35 Mo P3 -","- C152 H280 Mo8 P24 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058107f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101235","7.0168","0.0002","8.4454","0.0002","24.1473","0.0006","90","","90","","90","","1430.96","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl O4 -","- C15 H15 Cl O4 -","- C60 H60 Cl4 O16 -","4","1","","Overgaard, Jacob","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058490o","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101236","14.038","0.002","4.3526","0.001","14.864","0.002","90","","117.055","0.016","90","","808.8","0.3","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 O4 -","- C20 H14 O4 -","- C40 H28 O8 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0603204","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101237","21.034","0.002","4.9644","0.0009","18.847","0.003","90","","108.888","0.012","90","","1862.1","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H4 F10 O4 -","- C20 H4 F10 O4 -","- C80 H16 F40 O16 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0603204","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101238","16.8225","0.0016","7.1205","0.0007","15.706","0.0014","90","","107.423","0.008","90","","1795","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H9 F5 O4 -","- C20 H9 F5 O4 -","- C80 H36 F20 O16 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0603204","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101239","5.9825","0.0007","7.5763","0.001","19.295","0.002","96.91","0.01","91.736","0.009","93.071","0.01","866.37","0.18","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H18 F10 O8 -","- C40 H18 F10 O8 -","- C40 H18 F10 O8 -","1","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0603204","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101240","5.9737","0.0013","7.5892","0.0016","19.199","0.003","97.473","0.016","91.757","0.016","92.796","0.017","861.4","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H9 F5 O4 -","- C20 H9 F5 O4 -","- C40 H18 F10 O8 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0603204","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101241","8.237","0.0005","8.499","0.0006","11.211","0.001","92.478","0.003","110.281","0.003","113.705","0.003","658.66","0.09","130","2","130","2","","","","","","","","4","P -1","-P 1","2","methyl red","","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C30 H30 N6 O4 -","2","1","","Jason B. Benedict; Dawn E. Cohen; Scott Lovell; Andrew L. Rohl; Bart Kahr","'What is syncrystallization? States of the pH indicator methyl red in crystals of phthalic acid'","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601181","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101242","7.022","0.0003","13.553","0.0007","21.84","0.0012","90","","99.984","0.002","90","","2047.02","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MR-25DHB","","","- C22 H21 N3 O6 -","- C22 H21 N3 O6 -","- C88 H84 N12 O24 -","4","1","","Jason B. Benedict; Dawn E. Cohen; Scott Lovell; Andrew L. Rohl; Bart Kahr","'What is syncrystallization? States of the pH indicator methyl red in crystals of phthalic acid'","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601181","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101243","7.89","0.0002","11.898","0.0004","16.662","0.0007","90","","92.568","0.0011","90","","1562.58","0.09","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MRHBrH20","","","- C15 H18 Br N3 O3 -","- C15 H18 Br N3 O3 -","- C60 H72 Br4 N12 O12 -","4","1","","Jason B. Benedict; Dawn E. Cohen; Scott Lovell; Andrew L. Rohl; Bart Kahr","'What is syncrystallization? States of the pH indicator methyl red in crystals of phthalic acid'","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601181","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101244","9.083","0.0005","14.185","0.0007","26.653","0.002","90","0","98.042","0.004","90","0","3400.3","0.4","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","0.5PA-MR","","","- C19 H18 N3 O4 -","- C19 H18 N3 O4 -","- C152 H144 N24 O32 -","8","1","","Jason B. Benedict; Dawn E. Cohen; Scott Lovell; Andrew L. Rohl; Bart Kahr","'What is syncrystallization? States of the pH indicator methyl red in crystals of phthalic acid'","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601181","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101245","16.9603","0.001","20.6955","0.0009","20.1896","0.001","90","","96.263","0.002","90","","7044.3","0.6","170","2","170","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","P5L","","","- C42 H87 F12 N2 P5 Re6 Sb2 Se8 -","- C42.002 H87 F12 N2 P5 Re6 Sb2 Se8 -","- C168.008 H348 F48 N8 P20 Re24 Sb8 Se32 -","4","1","","Roland, Bryan K; Flora, Ware H; Selby, Hugh D; Armstrong, Neal R; Zheng, Zhiping","Dendritic arrays of [Re6(mu3-Se)8]2+ core-containing clusters: exploratory synthesis and electrochemical studies.","Journal of the American Chemical Society","2006","128","20","6620","6625","10.1021/ja057548w","","","0.71073","MoKα","","0.0417","0.0299","","","0.0753","0.079","","","","","","1.057","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101246","65.68","0.07","65.68","0.07","79.46","0.08","90","","90","","120","","296844","515","98","2","98","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C846 H1919 N262 O491 S8.83 -","- C849.41 H1342.9 N261.7 O648.31 S12.94 -","- C5096.46 H8057.4 N1570.2 O3889.86 S77.64 -","6","1","","Fuhrmann, Cynthia N; Daugherty, Matthew D; Agard, David A","Subangstrom crystallography reveals that short ionic hydrogen bonds, and not a His-Asp low-barrier hydrogen bond, stabilize the transition state in serine protease catalysis.","Journal of the American Chemical Society","2006","128","28","9086","9102","10.1021/ja057721o","","","0.785","","","0.0817","0.0728","","","0.1999","0.2056","","","","","","1.691","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101247","65.77","0.07","65.77","0.07","79.55","0.08","90","","90","","120","","298004","518","98","2","98","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C846 H2027 B N262 O581 S9.5 -","- C866.99 H1367.07 N265.96 O639.78 S11.32 -","- C5201.94 H8202.42 N1595.76 O3838.68 S67.92 -","6","1","","Fuhrmann, Cynthia N; Daugherty, Matthew D; Agard, David A","Subangstrom crystallography reveals that short ionic hydrogen bonds, and not a His-Asp low-barrier hydrogen bond, stabilize the transition state in serine protease catalysis.","Journal of the American Chemical Society","2006","128","28","9086","9102","10.1021/ja057721o","","","0.75","","","0.0819","0.0733","","","0.2061","0.2203","","","","","","1.086","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101248","6.2719","0.0014","13.059","0.004","22.493","0.006","90.09","0.02","90.065","0.019","91.76","0.02","1841.4","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- P S4 Sb -","- P S4 Sb -","- P12 S48 Sb12 -","12","6","","Malliakas, Christos D; Kanatzidis, Mercouri G","Inorganic single wall nanotubes of SbPS(4-x)Se(x) (0 < or = x < or = 3) with tunable band gap.","Journal of the American Chemical Society","2006","128","20","6538","6539","10.1021/ja057943m","","","0.71073","MoKα","","0.1512","0.117","","","0.2657","0.2808","","","","","","1.222","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101249","12.2516","0.0002","12.8193","0.0002","24.8929","0.0003","90","","90","","90","","3909.6","0.1","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","boecp1","","","- C42 H58 O12 -","- C42 H58 O12 -","- C168 H232 O48 -","4","1","","Boeckman, Jr, Robert K; Shao, Pengcheng; Wrobleski, Stephen T; Boehmler, Debra J; Heintzelman, Geoffrey R; Barbosa, Antonio J","Toward the development of a general chiral auxiliary. A total synthesis of (+)-tetronolide via a tandem ketene-trapping [4 + 2] cycloaddition strategy.","Journal of the American Chemical Society","2006","128","32","10572","10588","10.1021/ja0581346","","","0.71073","MoKα","","0.0348","0.0325","","","0.0828","0.0845","","","","","","1.061","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101250","46.929","0.004","11.5729","0.0009","17.8941","0.0014","90","","90","","90","","9718.4","1.4","150","","150","","","","","","","","?","7","I b a 2","I 2 -2c","45","","","","- C52 H45 Br2 Ir N2 O2 S2 -","- C52 H45 Br2 Ir N2 O2 S2 -","- C416 H360 Br16 Ir8 N16 O16 S16 -","8","1","","Evans, Nicholas R; Sudha Devi, Lekshmi; Mak, Chris S K; Watkins, Scott E; Pascu, Sofia I; Köhler, Anna; Friend, Richard H; Williams, Charlotte K; Holmes, Andrew B","Triplet energy back transfer in conjugated polymers with pendant phosphorescent iridium complexes.","Journal of the American Chemical Society","2006","128","20","6647","6656","10.1021/ja0584267","","","0.6904","synchrotron","","0.0722","0.0388","","0.089","0.0455","0.0455","","","","","","1.0006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101251","12.6135","0.0002","14.2569","0.0002","18.018","0.0003","90","","90","","90","","3240.17","0.09","180","","180","","","","","","","","?","6","P c a 21","P 2c -2ac","29","","","","- C35 H33 Ir N2 O3 S2 -","- C35 H33 Ir N2 O3 S2 -","- C140 H132 Ir4 N8 O12 S8 -","4","1","","Evans, Nicholas R; Sudha Devi, Lekshmi; Mak, Chris S K; Watkins, Scott E; Pascu, Sofia I; Köhler, Anna; Friend, Richard H; Williams, Charlotte K; Holmes, Andrew B","Triplet energy back transfer in conjugated polymers with pendant phosphorescent iridium complexes.","Journal of the American Chemical Society","2006","128","20","6647","6656","10.1021/ja0584267","","","0.71073","MoKα","","0.0263","0.0204","","0.0321","0.0285","0.0285","","","","","","0.8464","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101252","4.5636","0.0012","9.979","0.003","20.116","0.006","81.1","0.03","86.46","0.02","88.48","0.03","903.2","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H30 N4 O2 -","- C17 H30 N4 O2 -","- C34 H60 N8 O4 -","2","1","","Lafitte, Valérie G H; Aliev, Abil E; Horton, Peter N; Hursthouse, Michael B; Bala, Kason; Golding, Peter; Hailes, Helen C","Quadruply hydrogen bonded cytosine modules for supramolecular applications.","Journal of the American Chemical Society","2006","128","20","6544","6545","10.1021/ja0587289","","","0.71073","MoKα","","0.0795","0.0572","","","0.1346","0.1499","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101253","14.938","0.003","9.6522","0.0017","15.763","0.003","90","","106.491","0.002","90","","2179.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 N P Sn -","- C23 H28 N P Sn -","- C92 H112 N4 P4 Sn4 -","4","1","","Grundy, Joanna; Donnadieu, Bruno; Mathey, François","The alpha-iminophospholide ligands.","Journal of the American Chemical Society","2006","128","24","7716","7717","10.1021/ja060100q","","","0.71073","MoKα","","0.0342","0.03","","","0.1103","0.1146","","","","","","1.036","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101254","14.9291","0.0003","17.6446","0.0004","17.8388","0.0004","67.097","0.001","79.278","0.001","67.324","0.001","3990.42","0.15","293","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H84 Cl8 Cu4 N4 P4 -","- C84 H84 Cl8 Cu4 N4 P4 -","- C168 H168 Cl16 Cu8 N8 P8 -","2","1","","Grundy, Joanna; Donnadieu, Bruno; Mathey, François","The alpha-iminophospholide ligands.","Journal of the American Chemical Society","2006","128","24","7716","7717","10.1021/ja060100q","","","0.71073","MoKα","","0.0335","0.0265","","","0.0688","0.074","","","","","","1.065","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101255","9.4466","0.0019","10.052","0.002","13.087","0.003","90","","98.62","0.03","90","","1228.7","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H25 Cl N2 O2 -","- C29 H25 Cl N2 O2 -","- C58 H50 Cl2 N4 O4 -","2","1","","Sharma, Vasudha; Peddibhotla, Satyamaheshwar; Tepe, Jetze J","Sensitization of cancer cells to DNA damaging agents by imidazolines.","Journal of the American Chemical Society","2006","128","28","9137","9143","10.1021/ja060273f","","","0.71073","MoKα","","0.04","0.0302","","","0.0829","0.0913","","","","","","0.688","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101256","10.256","0.002","11.428","0.002","13.011","0.003","90.97","0.03","105.28","0.03","90.96","0.03","1470.4","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Cl4 N2 O2 -","- C30 H26 Cl4 N2 O2 -","- C60 H52 Cl8 N4 O4 -","2","1","","Sharma, Vasudha; Peddibhotla, Satyamaheshwar; Tepe, Jetze J","Sensitization of cancer cells to DNA damaging agents by imidazolines.","Journal of the American Chemical Society","2006","128","28","9137","9143","10.1021/ja060273f","","","0.71073","MoKα","","0.1346","0.0484","","","0.119","0.1587","","","","","","0.813","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101257","14.573","0.002","14.573","0.002","10.354","0.001","90","","90","","120","","1904.3","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","Val-Val","L-Valyl-L-Valine","","- C10 H20 N2 O3 -","- C10 H20 N2 O3 -","- C60 H120 N12 O18 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.0329","0.0304","","","0.0774","0.0786","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101258","14.774","0.002","14.774","0.002","10.319","0.001","90","","90","","120","","1950.6","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","Val-Ile","L-Valyl-L-Isoleucine","","- C11 H22 N2 O3 -","- C11 H22 N2 O3 -","- C66 H132 N12 O18 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.033","0.0313","","","0.0827","0.0842","","","","","","1.045","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101259","18.138","0.002","18.138","0.002","6.163","0.001","90","","90","","120","","1755.9","0.4","293","2","293","2","","","","","","","","4","P 65","P 65","170","Leu-Ser","L-Leucyl-L-Serine","","- C9 H18 N2 O4 -","- C9 H18 N2 O4 -","- C54 H108 N12 O24 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.0303","0.0289","","","0.0803","0.0815","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101260","14.871","0.002","14.871","0.002","10.305","0.001","90","","90","","120","","1973.6","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","L-Ile-L-Val","L-Isoleucyl-L-Valine","","- C11 H22 N2 O3 -","- C11 H22 N2 O3 -","- C66 H132 N12 O18 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.0322","0.0304","","","0.0785","0.0796","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101261","14.481","0.002","14.481","0.002","10.037","0.001","90","","90","","120","","1822.8","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","Ile-Ala","L-Isoleucyl-L-Alanine","","- C9 H18 N2 O3 -","- C9 H18 N2 O3 -","- C54 H108 N12 O18 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.0414","0.0367","","","0.0925","0.095","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101262","14.261","0.002","14.261","0.002","10.221","0.001","90","","90","","120","","1800.2","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","Ala-Ile","L-Alanyl-L-Isoleucine","","- C9 H18 N2 O3 -","- C9 H18 N2 O3 -","- C54 H108 N12 O18 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.0367","0.0343","","","0.0884","0.0898","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101263","24.579","0.005","23.016","0.005","10.511","0.005","90","0.005","98.643","0.005","90","0.005","5879","3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","catena-(tris(m5-4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-samarium chloride clathrate hydrate)","catena-(tris(m5-4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-samarium chloride clathrate hydrate)","","- C30 H18 Ba2 Cl N6 O37.14 S6 Sm -","- C30 H18 Ba2 Cl N6 O37.14 S6 Sm -","- C120 H72 Ba8 Cl4 N24 O148.56 S24 Sm4 -","4","1","","Chandler, Brett D; Cramb, David T; Shimizu, George K H","Microporous metal-organic frameworks formed in a stepwise manner from luminescent building blocks.","Journal of the American Chemical Society","2006","128","32","10403","10412","10.1021/ja060666e","","x-ray","0.71069","MoKα","","0.0775","0.0471","","","0.1182","0.1354","","","","","","1.012","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101264","24.423","0.005","22.995","0.005","10.498","0.002","90","","98.54","0.03","90","","5830","2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","catena-(tris(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-gadolinium chloride clathrate hydrate)","catena-(tris(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-gadolinium chloride clathrate hydrate)","","- C30 H18 Ba2 Cl Gd N6 O39.16 S6 -","- C30 H18 Ba2 Cl Gd N6 O39.146 S6 -","- C120 H72 Ba8 Cl4 Gd4 N24 O156.584 S24 -","4","1","","Chandler, Brett D; Cramb, David T; Shimizu, George K H","Microporous metal-organic frameworks formed in a stepwise manner from luminescent building blocks.","Journal of the American Chemical Society","2006","128","32","10403","10412","10.1021/ja060666e","","x-ray","0.71073","MoKα","","0.0714","0.048","","","0.1341","0.1639","","","","","","1.121","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101265","24.525","0.005","22.917","0.005","10.531","0.005","90","0.005","98.595","0.005","90","0.005","5852","3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","catena-(tris(m5-4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-terbium chloride clathrate hydrate)","catena-(tris(m5-4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-terbium chloride clathrate hydrate)","","- C30 H18 Ba2 Cl N6 O38.22 S6 Tb -","- C30 H18 Ba2 Cl N6 O38.22 S6 Tb -","- C120 H72 Ba8 Cl4 N24 O152.88 S24 Tb4 -","4","1","","Chandler, Brett D; Cramb, David T; Shimizu, George K H","Microporous metal-organic frameworks formed in a stepwise manner from luminescent building blocks.","Journal of the American Chemical Society","2006","128","32","10403","10412","10.1021/ja060666e","","x-ray","0.71069","MoKα","","0.1253","0.0585","","","0.1495","0.1926","","","","","","0.976","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101266","24.627","0.005","22.651","0.005","10.547","0.005","90","0.005","98.168","0.005","90","0.005","5824","3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","catena-(tris(m5-4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-dysprosium chloride clathrate hydrate)","catena-(tris(m5-4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-dysprosium chloride clathrate hydrate)","","- C30 H18 Ba2 Cl Dy N6 O34.48 S6 -","- C30 H18 Ba2 Cl Dy N6 O34.48 S6 -","- C120 H72 Ba8 Cl4 Dy4 N24 O137.92 S24 -","4","1","","Chandler, Brett D; Cramb, David T; Shimizu, George K H","Microporous metal-organic frameworks formed in a stepwise manner from luminescent building blocks.","Journal of the American Chemical Society","2006","128","32","10403","10412","10.1021/ja060666e","","x-ray","0.71069","MoKα","","0.065","0.0379","","","0.0972","0.1109","","","","","","1.006","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101267","24.55","0.002","23.026","0.002","10.4867","0.001","90","","98.796","0.002","90","","5858.5","1","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25.5 Ba2 Cl Eu N6 O34.5 S6 -","- C30 H26 Ba2 Cl Eu N6 O34.5 S6 -","- C120 H104 Ba8 Cl4 Eu4 N24 O138 S24 -","4","1","","Chandler, Brett D; Cramb, David T; Shimizu, George K H","Microporous metal-organic frameworks formed in a stepwise manner from luminescent building blocks.","Journal of the American Chemical Society","2006","128","32","10403","10412","10.1021/ja060666e","","","0.71073","MoKα","","0.0939","0.0635","","","0.1557","0.1714","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101268","13.9099","0.0012","19.766","0.0016","15.7615","0.0013","90","","98.033","0.002","90","","4291","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Piv-Pro-Pro-Aib-Leu-Aib-Phe-OMe","Pivaloyl-prolyl-prolyl-alpha-aminoisobutyryl-leucyl-alpha-aminoisobutyryl- phenylalanyl-methyl ester","","- C39 H60 N6 O8 -","- C39 H60 N6 O8 -","- C156 H240 N24 O32 -","4","2","","Rai, Rajkishor; Aravinda, Subrayashastry; Kanagarajadurai, Karuppiah; Raghothama, Srinivasarao; Shamala, Narayanaswamy; Balaram, Padmanabhan","Diproline templates as folding nuclei in designed peptides. Conformational analysis of synthetic peptide helices containing amino terminal Pro-Pro segments.","Journal of the American Chemical Society","2006","128","24","7916","7928","10.1021/ja060674v","","","0.71073","MoKα","","0.0733","0.0546","","","0.1445","0.1597","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101269","9.086","0.0017","24.088","0.004","7.7691","0.0014","90","","115.028","0.002","90","","1540.7","0.5","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H14 Cd Cl N5 O2 -","- C13 H14 Cd Cl N5 O2 -","- C52 H56 Cd4 Cl4 N20 O8 -","4","1","","Ye, Qiong; Song, Yu-Mei; Wang, Guo-Xi; Chen, Kai; Fu, Da-Wei; Chan, Philip Wai Hong; Zhu, Jin-Song; Huang, Songping D; Xiong, Ren-Gen","Ferroelectric metal-organic framework with a high dielectric constant.","Journal of the American Chemical Society","2006","128","20","6554","6555","10.1021/ja060856p","","","0.71073","MoKα","","0.0554","0.0515","","","0.1268","0.1282","","","","","","1.029","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101270","24.3311","0.0003","46.3186","0.0006","46.72","0.0007","90","","99.6656","0.0008","90","","51905","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C142.75 H171 Mn3.85 N45.75 O101.25 Pd6 -","- C142.854 H171.065 Mn3.857 N45.818 O100.888 Pd6 -","- C1142.83 H1368.52 Mn30.856 N366.544 O807.1 Pd48 -","8","2","","Kawano, Masaki; Kobayashi, Yasuhiro; Ozeki, Tomoji; Fujita, Makoto","Direct crystallographic observation of a coordinatively unsaturated transition-metal complex in situ generated within a self-assembled cage.","Journal of the American Chemical Society","2006","128","20","6558","6559","10.1021/ja0609250","","","0.689","synchrotron","","0.1738","0.1233","","","0.3497","0.3846","","","","","","1.335","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101271","24.3225","0.0004","45.7184","0.0006","46.6645","0.0007","90","","99.5401","0.0004","90","","51173","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C142.75 H171.5 Mn3.84 N45.5 O97.25 Pd6 -","- C142.726 H171.381 Mn3.847 N45.425 O97.261 Pd6 -","- C1141.81 H1371.05 Mn30.776 N363.4 O778.088 Pd48 -","8","2","","Kawano, Masaki; Kobayashi, Yasuhiro; Ozeki, Tomoji; Fujita, Makoto","Direct crystallographic observation of a coordinatively unsaturated transition-metal complex in situ generated within a self-assembled cage.","Journal of the American Chemical Society","2006","128","20","6558","6559","10.1021/ja0609250","","","0.689","synchrotron","","0.1502","0.1125","","","0.3204","0.3445","","","","","","1.234","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101272","29.055","0.003","29.055","0.003","30.767","0.007","90","","90","","90","","25973","7","78","2","78","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C157.48 H111.92 Mn3.18 N45.66 O106.58 Pd6 -","- C157.184 H111.74 Mn3.148 N45.664 O106.536 Pd6 -","- C628.736 H446.96 Mn12.592 N182.656 O426.144 Pd24 -","4","0.5","","Kawano, Masaki; Kobayashi, Yasuhiro; Ozeki, Tomoji; Fujita, Makoto","Direct crystallographic observation of a coordinatively unsaturated transition-metal complex in situ generated within a self-assembled cage.","Journal of the American Chemical Society","2006","128","20","6558","6559","10.1021/ja0609250","","","0.71073","MoKα","","0.1633","0.1022","","","0.2581","0.3117","","","","","","1.074","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101273","10.7492","0.0003","6.9262","0.0002","11.6456","0.0003","90","","115.72","0.001","90","","781.13","0.04","78","2","78","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 Mn O3 -","- C8 H5 Mn O3 -","- C32 H20 Mn4 O12 -","4","1","","Kawano, Masaki; Kobayashi, Yasuhiro; Ozeki, Tomoji; Fujita, Makoto","Direct crystallographic observation of a coordinatively unsaturated transition-metal complex in situ generated within a self-assembled cage.","Journal of the American Chemical Society","2006","128","20","6558","6559","10.1021/ja0609250","","","0.71073","MoKα","","0.0357","0.0249","","","0.0627","0.0665","","","","","","1.031","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101274","8.0847","0.0016","17.899","0.004","13.168","0.003","90","","107.26","0.03","90","","1819.7","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","","Elliott, Gregory I; Fuchs, James R; Blagg, Brian S J; Ishikawa, Hayato; Tao, Houchao; Yuan, Z-Q; Boger, Dale L","Intramolecular diels-alder/1,3-dipolar cycloaddition cascade of 1,3,4-oxadiazoles.","Journal of the American Chemical Society","2006","128","32","10589","10595","10.1021/ja0612549","","","0.71073","MoKα","","0.1038","0.0693","","","0.1805","0.2064","","","","","","1.052","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101275","8.21","0.004","9.372","0.005","18.942","0.01","97.915","0.01","93.978","0.01","101.191","0.011","1409.2","1.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 N2 O7 -","- C30 H34 N2 O7 -","- C60 H68 N4 O14 -","2","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.1359","0.0629","","","0.1469","0.185","","","","","","1.009","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101276","8.6242","0.0008","10.7709","0.0009","21.359","0.0019","90","","97.95","0.002","90","","1965","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N2 O3 -","- C22 H30 N2 O3 -","- C88 H120 N8 O12 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.0798","0.0528","","","0.1365","0.1567","","","","","","1.023","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101277","10.191","0.002","13.011","0.003","15.311","0.003","90","","90","","90","","2030.2","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O3 S -","- C22 H26 N2 O3 S -","- C88 H104 N8 O12 S4 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.0457","0.0405","","","0.1001","0.1033","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101278","11.485","0.002","13.835","0.003","19.763","0.004","90","","90","","90","","3140.2","1.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 N2 O4 S Si -","- C31 H46 N2 O4 S Si -","- C124 H184 N8 O16 S4 Si4 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.1349","0.116","","","0.3026","0.3222","","","","","","1.217","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101279","10.1539","0.0015","11.5677","0.0017","17.553","0.003","90","","90","","90","","2061.8","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 O4 -","- C23 H28 N2 O4 -","- C92 H112 N8 O16 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.0603","0.0538","","","0.1381","0.1436","","","","","","0.926","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101280","8.8858","0.0018","6.9643","0.0014","15.401","0.003","90","","98.36","0.03","90","","942.9","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C42 H48 N4 O8 -","2","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.063","0.051","","","0.1112","0.1165","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101281","13.2501","0.0015","9.0998","0.001","22.7","0.003","90","","104.187","0.002","90","","2653.5","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N2 O6 -","- C30 H34 N2 O6 -","- C120 H136 N8 O24 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.1062","0.0525","","","0.1246","0.1464","","","","","","1.025","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101282","9.7531","0.0006","14.2685","0.0009","19.3063","0.0012","90","","101.784","0.001","90","","2630.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N2 O6 -","- C30 H34 N2 O6 -","- C120 H136 N8 O24 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.0924","0.0538","","","0.1297","0.1474","","","","","","1.03","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101283","14.772","0.003","14.944","0.003","18.334","0.004","109.94","0.03","95.96","0.03","110.8","0.03","3438","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H37 Br N2 O8 -","- C37 H37 Br N2 O8 -","- C148 H148 Br4 N8 O32 -","4","2","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.1431","0.0633","","","0.1423","0.1804","","","","","","0.96","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101284","11.298","0.002","12.007","0.002","17.511","0.004","90","","90","","90","","2375.4","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Br2 N2 O5 -","- C23 H26 Br2 N2 O5 -","- C92 H104 Br8 N8 O20 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.0464","0.0361","","","0.0967","0.1041","","","","","","0.915","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101285","15.38","0.0002","15.404","0.0002","18.353","0.0004","75.291","0.001","66.291","0.001","65.176","0.001","3594.25","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","dichlorobis(1,6-bisdiphenylphosphinohexane)cobalt","","- C69 H82 Cl4 Co2 O3 P4 -","- C69 H82 Cl4 Co2 O3 P4 -","- C138 H164 Cl8 Co4 O6 P8 -","2","1","","Affo, Walter; Ohmiya, Hirohisa; Fujioka, Takuma; Ikeda, Yousuke; Nakamura, Tomoaki; Yorimitsu, Hideki; Oshima, Koichiro; Imamura, Yuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Cobalt-catalyzed trimethylsilylmethylmagnesium-promoted radical alkenylation of alkyl halides: a complement to the Heck reaction.","Journal of the American Chemical Society","2006","128","24","8068","8077","10.1021/ja061417t","","","0.71069","MoKα","","0.0824","0.0567","","","0.1448","0.1617","","","","","","1.059","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101286","19.1884","0.0012","12.1771","0.0008","19.0995","0.0012","90","","90","","90","","4462.8","0.5","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","[RuCp(=C(COOEt)-η^3^-CHC(COOEt)CH-IPr^i^)]PF~6~.CH~2~Cl~2~","","","- C43 H55 Cl2 F6 N2 O4 P Ru -","- C43 H55 Cl2 F6 N2 O4 P Ru -","- C172 H220 Cl8 F24 N8 O16 P4 Ru4 -","4","1","","Becker, Eva; Stingl, Verena; Dazinger, Georg; Puchberger, Michael; Mereiter, Kurt; Kirchner, Karl","Facile migratory insertion of a N-heterocyclic carbene into a ruthenium-carbon double bond: a new type of reaction of a NHC ligand.","Journal of the American Chemical Society","2006","128","20","6572","6573","10.1021/ja061454k","","","0.71073","MoKα","","0.0364","0.0333","","","0.0881","0.0903","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101287","9.9577","0.0008","12.1717","0.0009","12.9933","0.001","92.232","0.002","104.417","0.002","103.785","0.002","1473.2","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H25 Cl3 Cr F6 N5 O2 Sb -","- C22 H24 Cl Cr F6 N5 O2 Sb -","- C44 H48 Cl2 Cr2 F12 N10 O4 Sb2 -","2","1","","Tomov, Atanas K; Chirinos, Juan J; Long, Richard J; Gibson, Vernon C; Elsegood, Mark R J","An unprecedented alpha-olefin distribution arising from a homogeneous ethylene oligomerization catalyst.","Journal of the American Chemical Society","2006","128","24","7704","7705","10.1021/ja0615369","","","0.71073","MoKα","","0.0961","0.0461","","","0.0935","0.1079","","","","","","0.949","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101288","16.0881","0.0015","12.9815","0.0012","12.2632","0.0011","90","","90","","90","","2561.1","0.4","295","2","295","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C21 H33 B N6 O P2 Ru -","- C21 H33 B N6 O P2 Ru -","- C84 H132 B4 N24 O4 P8 Ru4 -","4","0.5","","Feng, Yuee; Lail, Marty; Foley, Nicholas A; Gunnoe, T Brent; Barakat, Khaldoon A; Cundari, Thomas R; Petersen, Jeffrey L","Hydrogen-deuterium exchange between TpRu(PMe3)(L)X (L = PMe3 and X = OH, OPh, Me, Ph, or NHPh; L = NCMe and X = Ph) and deuterated arene solvents: evidence for metal-mediated processes.","Journal of the American Chemical Society","2006","128","24","7982","7994","10.1021/ja0615775","","","0.71073","MoKα","","0.0325","0.0246","","","0.0622","0.0674","","","","","","1.064","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101289","10.4395","0.0005","16.5658","0.0009","14.5617","0.0008","90","","91.616","0.001","90","","2517.3","0.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H33 B N6 P2 Ru -","- C21 H33 B N6 P2 Ru -","- C84 H132 B4 N24 P8 Ru4 -","4","1","","Feng, Yuee; Lail, Marty; Foley, Nicholas A; Gunnoe, T Brent; Barakat, Khaldoon A; Cundari, Thomas R; Petersen, Jeffrey L","Hydrogen-deuterium exchange between TpRu(PMe3)(L)X (L = PMe3 and X = OH, OPh, Me, Ph, or NHPh; L = NCMe and X = Ph) and deuterated arene solvents: evidence for metal-mediated processes.","Journal of the American Chemical Society","2006","128","24","7982","7994","10.1021/ja0615775","","","0.71073","MoKα","","0.052","0.0321","","","0.0707","0.0776","","","","","","1.025","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101290","18.778","0.002","9.4456","0.001","13.1493","0.0013","90","","90","","90","","2332.3","0.4","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H27 B N7 P Ru -","- C20 H27 B N7 P Ru -","- C80 H108 B4 N28 P4 Ru4 -","4","1","","Feng, Yuee; Lail, Marty; Foley, Nicholas A; Gunnoe, T Brent; Barakat, Khaldoon A; Cundari, Thomas R; Petersen, Jeffrey L","Hydrogen-deuterium exchange between TpRu(PMe3)(L)X (L = PMe3 and X = OH, OPh, Me, Ph, or NHPh; L = NCMe and X = Ph) and deuterated arene solvents: evidence for metal-mediated processes.","Journal of the American Chemical Society","2006","128","24","7982","7994","10.1021/ja0615775","","","0.71073","MoKα","","0.0441","0.0386","","","0.0883","0.0919","","","","","","1.04","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101291","9.5798","0.0009","17.5497","0.0016","12.2467","0.0011","90","","111.667","0.002","90","","1913.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 B10 -","- C14 H30 B10 -","- C56 H120 B40 -","4","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Nickel-mediated regioselective [2 + 2 + 2] cycloaddition of carboryne with alkynes.","Journal of the American Chemical Society","2006","128","24","7728","7729","10.1021/ja061605j","","","0.71073","MoKα","","0.1121","0.0683","","","0.1681","0.2042","","","","","","1.044","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101292","9.9134","0.0009","16.3843","0.0015","15.4447","0.0014","90","","104.198","0.002","90","","2432","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H38 B10 -","- C18 H38 B10 -","- C72 H152 B40 -","4","0.5","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Nickel-mediated regioselective [2 + 2 + 2] cycloaddition of carboryne with alkynes.","Journal of the American Chemical Society","2006","128","24","7728","7729","10.1021/ja061605j","","","0.71073","MoKα","","0.0741","0.053","","","0.1495","0.1671","","","","","","1.046","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101293","38.779","0.002","38.779","0.002","12.1544","0.0013","90","","90","","120","","15829","2","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C30 H30 B10 -","- C30 H30 B10 -","- C540 H540 B180 -","18","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Nickel-mediated regioselective [2 + 2 + 2] cycloaddition of carboryne with alkynes.","Journal of the American Chemical Society","2006","128","24","7728","7729","10.1021/ja061605j","","","0.71073","MoKα","","0.1837","0.0998","","","0.2629","0.3648","","","","","","1.051","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101294","12.868","0.003","12.278","0.003","14.193","0.003","90","","102.27","0.03","90","","2191.3","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 B10 -","- C20 H26 B10 -","- C80 H104 B40 -","4","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Nickel-mediated regioselective [2 + 2 + 2] cycloaddition of carboryne with alkynes.","Journal of the American Chemical Society","2006","128","24","7728","7729","10.1021/ja061605j","","","0.71073","MoKα","","0.0841","0.0611","","","0.1439","0.1551","","","","","","1.159","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101295","10.382","0.0018","18.552","0.003","28.499","0.005","90","","91.956","0.003","90","","5485.9","1.7","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H21 F26 N7 O5 -","- C61 H21 F26 N7 O5 -","- C244 H84 F104 N28 O20 -","4","1","","Hiroto, Satoru; Shinokubo, Hiroshi; Osuka, Atsuhiro","Porphyrin synthesis in water provides new expanded porphyrins with direct bipyrrole linkages: isolation and characterization of two heptaphyrins.","Journal of the American Chemical Society","2006","128","20","6568","6569","10.1021/ja061621g","","","0.71073","MoKα","","0.1231","0.0916","","","0.2382","0.2673","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101296","19.12","0.004","31.455","0.007","39.222","0.006","90","","113.439","0.008","90","","21642","7","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C161 H44 Cl3 F90 N14 O25 -","- C161 H44 Cl3 F90 N14 O25 -","- C644 H176 Cl12 F360 N56 O100 -","4","1","","Hiroto, Satoru; Shinokubo, Hiroshi; Osuka, Atsuhiro","Porphyrin synthesis in water provides new expanded porphyrins with direct bipyrrole linkages: isolation and characterization of two heptaphyrins.","Journal of the American Chemical Society","2006","128","20","6568","6569","10.1021/ja061621g","","","0.71073","MoKα","","0.1289","0.0863","","","0.2326","0.2565","","","","","","0.996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101297","11.921","0.005","13.3","0.005","29.176","0.01","101.478","0.013","95.064","0.015","107.334","0.015","4273","3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C99 H31 Cl3 F35 N8 -","- C99 H31 Cl3 F35 N8 -","- C198 H62 Cl6 F70 N16 -","2","1","","Hiroto, Satoru; Shinokubo, Hiroshi; Osuka, Atsuhiro","Porphyrin synthesis in water provides new expanded porphyrins with direct bipyrrole linkages: isolation and characterization of two heptaphyrins.","Journal of the American Chemical Society","2006","128","20","6568","6569","10.1021/ja061621g","","","0.71075","MoKα","","0.1271","0.0802","","","0.209","0.2393","","","","","","1.045","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101298","14.8265","0.0007","7.0692","0.0003","16.7136","0.0009","90","","100.316","0.002","90","","1723.46","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","?","- C152 H168 N8 O48 -","- C152 H168 N8 O48 -","","","","Reczek, Joseph J; Villazor, Karen R; Lynch, Vincent; Swager, Timothy M; Iverson, Brent L","Tunable columnar mesophases utilizing C2 symmetric aromatic donor-acceptor complexes.","Journal of the American Chemical Society","2006","128","24","7995","8002","10.1021/ja061649s","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101299","10.1516","0.0003","9.8122","0.0002","10.1948","0.0002","90","","92.974","0.001","90","","1014.13","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","?","- C88 H128 O8 -","- C88 H128 O8 -","","","","Reczek, Joseph J; Villazor, Karen R; Lynch, Vincent; Swager, Timothy M; Iverson, Brent L","Tunable columnar mesophases utilizing C2 symmetric aromatic donor-acceptor complexes.","Journal of the American Chemical Society","2006","128","24","7995","8002","10.1021/ja061649s","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101300","41.893","0.002","6.8695","0.0003","8.4203","0.0003","90","","90.833","0.002","90","","2422.97","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","?","- C112 H136 N8 O16 -","- C112 H136 N8 O16 -","","","","Reczek, Joseph J; Villazor, Karen R; Lynch, Vincent; Swager, Timothy M; Iverson, Brent L","Tunable columnar mesophases utilizing C2 symmetric aromatic donor-acceptor complexes.","Journal of the American Chemical Society","2006","128","24","7995","8002","10.1021/ja061649s","","","","","","","","","","","","","","","","","","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101301","9.2006","0.0002","8.5041","0.0002","8.6679","0.0002","90","","94.442","0.001","90","","676.164","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","?","- C64 H80 O8 -","- C64 H80 O8 -","","","","Reczek, Joseph J; Villazor, Karen R; Lynch, Vincent; Swager, Timothy M; Iverson, Brent L","Tunable columnar mesophases utilizing C2 symmetric aromatic donor-acceptor complexes.","Journal of the American Chemical Society","2006","128","24","7995","8002","10.1021/ja061649s","","","","","","","","","","","","","","","","","","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101302","13.041","0.006","13.041","0.006","11.672","0.011","90","","90","","120","","1719.1","1.9","173","2","173","2","","","","","","","","7","P -3","-P 3","147","","","","- C36 H72 K2 N4 O12 Pb12 Pt -","- C36 H72 K2 N4 O12 Pb12 Pt -","- C36 H72 K2 N4 O12 Pb12 Pt -","1","0.166667","","Esenturk, Emren N; Fettinger, James; Eichhorn, Bryan","The Pb12(2-) and Pb10(2-) zintl ions and the M@Pb12(2-) and M@Pb10(2-) cluster series where M = Ni, Pd, Pt.","Journal of the American Chemical Society","2006","128","28","9178","9186","10.1021/ja061842m","","","0.71073","MoKα","","0.073","0.0352","","","0.0825","0.0959","","","","","","1.055","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101303","13.59","0.0011","13.9389","0.0011","22.1236","0.0017","72.1144","0.0015","85.2884","0.0016","64.1532","0.0015","3582.8","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H80 K2 N4 O12 Pb12 Pd -","- C43 H80 K2 N4 O12 Pb12 Pd -","- C86 H160 K4 N8 O24 Pb24 Pd2 -","2","1","","Esenturk, Emren N; Fettinger, James; Eichhorn, Bryan","The Pb12(2-) and Pb10(2-) zintl ions and the M@Pb12(2-) and M@Pb10(2-) cluster series where M = Ni, Pd, Pt.","Journal of the American Chemical Society","2006","128","28","9178","9186","10.1021/ja061842m","","","0.71073","MoKα","","0.1014","0.0596","","","0.156","0.1671","","","","","","0.996","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101304","14.512","0.003","15.406","0.003","16.335","0.003","62.961","0.003","64.337","0.003","87.126","0.004","2882.6","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H80 K2 N6 Ni0.5 O12 Pb6 -","- C37.98 H72 K2 N5.98 Ni0.5 O12 Pb6 -","- C75.96 H144 K4 N11.96 Ni O24 Pb12 -","2","1","","Esenturk, Emren N; Fettinger, James; Eichhorn, Bryan","The Pb12(2-) and Pb10(2-) zintl ions and the M@Pb12(2-) and M@Pb10(2-) cluster series where M = Ni, Pd, Pt.","Journal of the American Chemical Society","2006","128","28","9178","9186","10.1021/ja061842m","","","0.71073","MoKα","","0.1689","0.1086","","","0.2671","0.2944","","","","","","0.989","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101305","24.843","0.003","11.9405","0.0016","21.403","0.003","90","","96.907","0.002","90","","6302.7","1.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H72 K2 N4 Ni O12 Pb10 -","- C36 H72 K2 N4 Ni O12 Pb10 -","- C144 H288 K8 N16 Ni4 O48 Pb40 -","4","0.5","","Esenturk, Emren N; Fettinger, James; Eichhorn, Bryan","The Pb12(2-) and Pb10(2-) zintl ions and the M@Pb12(2-) and M@Pb10(2-) cluster series where M = Ni, Pd, Pt.","Journal of the American Chemical Society","2006","128","28","9178","9186","10.1021/ja061842m","","","0.71073","MoKα","","0.0827","0.0582","","","0.1645","0.1764","","","","","","1.06","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101306","7.2276","0.0013","9.3724","0.0017","10.3744","0.0018","90","","92.231","0.003","90","","702.2","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O2 -","- C16 H24 O2 -","- C32 H48 O4 -","2","1","","McFadden, Ryan M; Stoltz, Brian M","The catalytic enantioselective, protecting group-free total synthesis of (+)-dichroanone.","Journal of the American Chemical Society","2006","128","24","7738","7739","10.1021/ja061853f","","","0.71073","MoKα","","0.0528","0.0417","","","0.0708","0.0729","","","","","","1.379","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101307","9.1287","0.0003","9.1287","0.0003","6.4903","0.0005","90","","90","","120","","468.4","0.04","293","","293","","","","210000","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 Cl3 Mn N -","- C4 Cl3 Mn N -","- C8 Cl6 Mn2 N2 -","2","0.166667","","Tancharakorn, Somchai; Fabbiani, Francesca P A; Allan, David R; Kamenev, Konstantin V; Robertson, Neil","Combined magnetic and single-crystal X-ray structural study of the linear chain antiferromagnet [(CH3)4N][MnCl3] under varying pressure.","Journal of the American Chemical Society","2006","128","28","9205","9210","10.1021/ja061923i","","","0.6984","MoKα","","0.0554","0.0458","","0.0602","0.0581","0.0581","","","","","","1.1296","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101308","9.0893","0.0004","9.0893","0.0004","6.4724","0.0007","90","","90","","120","","463.08","0.06","293","","293","","","","380000","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 Cl3 Mn N -","- C4 Cl3 Mn N -","- C8 Cl6 Mn2 N2 -","2","0.166667","","Tancharakorn, Somchai; Fabbiani, Francesca P A; Allan, David R; Kamenev, Konstantin V; Robertson, Neil","Combined magnetic and single-crystal X-ray structural study of the linear chain antiferromagnet [(CH3)4N][MnCl3] under varying pressure.","Journal of the American Chemical Society","2006","128","28","9205","9210","10.1021/ja061923i","","","0.6984","MoKα","","0.0623","0.052","","0.0609","0.0563","0.0563","","","","","","1.1458","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101309","8.9326","0.0002","8.9326","0.0002","6.401","0.0004","90","","90","","120","","442.32","0.03","293","","293","","","","1220000","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 Cl3 Mn N -","- C4 Cl3 Mn N -","- C8 Cl6 Mn2 N2 -","2","0.166667","","Tancharakorn, Somchai; Fabbiani, Francesca P A; Allan, David R; Kamenev, Konstantin V; Robertson, Neil","Combined magnetic and single-crystal X-ray structural study of the linear chain antiferromagnet [(CH3)4N][MnCl3] under varying pressure.","Journal of the American Chemical Society","2006","128","28","9205","9210","10.1021/ja061923i","","","0.71073","MoKα","","0.0591","0.0456","","0.0584","0.0524","0.0524","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101310","8.8728","0.0008","8.8728","0.0008","6.362","0.0014","90","","90","","120","","433.76","0.11","293","","293","","","","1700000","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 Cl3 Mn N -","- C4 Cl3 Mn N -","- C8 Cl6 Mn2 N2 -","2","0.166667","","Tancharakorn, Somchai; Fabbiani, Francesca P A; Allan, David R; Kamenev, Konstantin V; Robertson, Neil","Combined magnetic and single-crystal X-ray structural study of the linear chain antiferromagnet [(CH3)4N][MnCl3] under varying pressure.","Journal of the American Chemical Society","2006","128","28","9205","9210","10.1021/ja061923i","","","0.6984","MoKα","","0.1112","0.0696","","0.1104","0.0891","0.0891","","","","","","1.1377","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101311","9.0215","0.0006","9.0215","0.0006","6.4395","0.001","90","","90","","120","","453.88","0.08","293","","293","","","","680000","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 Cl3 Mn N -","- C4 Cl3 Mn N -","- C8 Cl6 Mn2 N2 -","2","0.166667","","Tancharakorn, Somchai; Fabbiani, Francesca P A; Allan, David R; Kamenev, Konstantin V; Robertson, Neil","Combined magnetic and single-crystal X-ray structural study of the linear chain antiferromagnet [(CH3)4N][MnCl3] under varying pressure.","Journal of the American Chemical Society","2006","128","28","9205","9210","10.1021/ja061923i","","","0.6984","MoKα","","0.068","0.0557","","0.0715","0.059","0.059","","","","","","1.1506","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101312","9.188","0.0013","9.188","0.0013","6.523","0.0013","90","","90","","120","","476.89","0.13","293","","293","","","","","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 Cl3 Mn N -","- C4 Cl3 Mn N -","- C8 Cl6 Mn2 N2 -","2","0.166667","","Tancharakorn, Somchai; Fabbiani, Francesca P A; Allan, David R; Kamenev, Konstantin V; Robertson, Neil","Combined magnetic and single-crystal X-ray structural study of the linear chain antiferromagnet [(CH3)4N][MnCl3] under varying pressure.","Journal of the American Chemical Society","2006","128","28","9205","9210","10.1021/ja061923i","","","0.6984","MoKα","","0.0516","0.0433","","0.0583","0.0563","0.0567","","","","","","1.0572","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101313","7.4815","0.0006","7.8984","0.0005","9.0478","0.0007","90","","90","","90","","534.65","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- B2 O7 Se2 -","- B2 O7 Se2 -","- B8 O28 Se8 -","4","1","","Kong, Fang; Huang, Shu-Ping; Sun, Zhong-Ming; Mao, Jiang-Gao; Cheng, Wen-Dan","Se2(B2O7): a new type of second-order NLO material.","Journal of the American Chemical Society","2006","128","24","7750","7751","10.1021/ja0620991","","","0.71073","MoKα","","0.0513","0.0416","","","0.0708","0.0741","","","","","","1.158","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101314","7.29","0.004","30.69","0.006","6.7","0.003","90","","100.38","0.04","90","","1474","1","293.2","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H12 Cl4 Ga S4 Se8 -","- C16 H12 Cl4 Ga S4 Se8 -","- C32 H24 Cl8 Ga2 S8 Se16 -","2","0.5","","Endo, Hisataka; Kawamoto, Tadashi; Mori, Takehiko; Terasaki, Ichiro; Kakiuchi, Toru; Sawa, Hiroshi; Kodani, Mie; Takimiya, Kazuo; Otsubo, Tetsuo","Current-induced metallic state in an organic (EDT-TSF)2GaCl4 conductor.","Journal of the American Chemical Society","2006","128","28","9006","9007","10.1021/ja062277q","","","0.7107","MoKα","","","0.0374","","","","0.1155","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101315","7.29","0.005","30.655","0.004","6.696","0.002","90","","100.42","0.04","90","","1471","1","293.2","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H12 Cl4 Fe S4 Se8 -","- C16 H12 Cl4 Fe S4 Se8 -","- C32 H24 Cl8 Fe2 S8 Se16 -","2","0.5","","Endo, Hisataka; Kawamoto, Tadashi; Mori, Takehiko; Terasaki, Ichiro; Kakiuchi, Toru; Sawa, Hiroshi; Kodani, Mie; Takimiya, Kazuo; Otsubo, Tetsuo","Current-induced metallic state in an organic (EDT-TSF)2GaCl4 conductor.","Journal of the American Chemical Society","2006","128","28","9006","9007","10.1021/ja062277q","","","0.7107","MoKα","","","0.0378","","","","0.1188","","","","","","1.372","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101316","16.949","0.003","10.207","0.002","27.236","0.005","90","","95.64","0.03","90","","4688.8","1.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H55 N O4 P2 Pd S -","- C57 H55 N O4 P2 Pd S -","- C228 H220 N4 O16 P8 Pd4 S4 -","4","1","","Fujita, Ken-ichi; Yamashita, Makoto; Puschmann, Florian; Alvarez-Falcon, Miguel Martinez; Incarvito, Christopher D; Hartwig, John F","Organometallic chemistry of amidate complexes. accelerating effect of bidentate ligands on the reductive elimination of N-aryl amidates from palladium(II).","Journal of the American Chemical Society","2006","128","28","9044","9045","10.1021/ja062333n","","","0.71073","MoKα","","0.101","0.0489","","","0.0931","0.1053","","","","","","1","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101317","12.597","0.003","10.484","0.002","22.535","0.005","90","","102.56","0.03","90","","2904.9","1","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Fe N O P Pd -","- C32 H40 Fe N O P Pd -","- C128 H160 Fe4 N4 O4 P4 Pd4 -","4","1","","Fujita, Ken-ichi; Yamashita, Makoto; Puschmann, Florian; Alvarez-Falcon, Miguel Martinez; Incarvito, Christopher D; Hartwig, John F","Organometallic chemistry of amidate complexes. accelerating effect of bidentate ligands on the reductive elimination of N-aryl amidates from palladium(II).","Journal of the American Chemical Society","2006","128","28","9044","9045","10.1021/ja062333n","","","0.71073","MoKα","","0.0626","0.0344","","","0.0697","0.0773","","","","","","1.011","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101318","10.044","0.002","12.385","0.003","14.483","0.003","114.4","0.03","98.26","0.03","102.83","0.03","1542.6","0.5","183","2","183","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H42 Fe N O2 P Pd S -","- C32 H42 Fe N O2 P Pd S -","- C64 H84 Fe2 N2 O4 P2 Pd2 S2 -","2","1","","Fujita, Ken-ichi; Yamashita, Makoto; Puschmann, Florian; Alvarez-Falcon, Miguel Martinez; Incarvito, Christopher D; Hartwig, John F","Organometallic chemistry of amidate complexes. accelerating effect of bidentate ligands on the reductive elimination of N-aryl amidates from palladium(II).","Journal of the American Chemical Society","2006","128","28","9044","9045","10.1021/ja062333n","","","0.71073","MoKα","","0.0989","0.044","","","0.0688","0.0809","","","","","","0.956","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101319","9.0464","0.0008","9.7954","0.0008","17.4231","0.0016","82.06","0.02","81.058","0.014","75.71","0.019","1469.9","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","bis-cyclophane","cis,cis-(4',4"")(5',5"")-bis(pentamethylenedithio)- {9,10-bis(1',3'-dithiol-2'-ylidene)anthracene}","","- C30 H28 S8 -","- C30 H28 S8 -","- C60 H56 S16 -","2","1","","Christensen, Christian A; Batsanov, Andrei S; Bryce, Martin R","Extreme conformational constraints in pi-extended tetrathiafulvalenes: unusual topologies and redox behavior of doubly and triply bridged cyclophanes.","Journal of the American Chemical Society","2006","128","32","10484","10490","10.1021/ja062358m","","","0.71073","MoKα","","0.0626","0.0432","","","0.0887","0.0967","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101320","17.1006","0.0016","12.3124","0.0011","18.1867","0.0016","90","","113.14","0.01","90","","3521.1","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","cis,cis-(4',4"")(5',5"")-bis(pentamethylenedithio)- {9,10-bis(1',3'-dithiol-2'-ylidene)anthracene}, toluene solvate","","- C37 H36 S8 -","- C37 H36 S8 -","- C148 H144 S32 -","4","0.5","","Christensen, Christian A; Batsanov, Andrei S; Bryce, Martin R","Extreme conformational constraints in pi-extended tetrathiafulvalenes: unusual topologies and redox behavior of doubly and triply bridged cyclophanes.","Journal of the American Chemical Society","2006","128","32","10484","10490","10.1021/ja062358m","","","0.71073","MoKα","","0.0492","0.0418","","","0.0969","0.1011","","","","","","1.147","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101321","9.1056","0.0007","19.1969","0.0016","16.1399","0.0011","90","","93.89","0.01","90","","2814.7","0.4","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","cis,cis-(4',4"")(5',5"")-bis(tetramethylenedithio)- {9,10-bis(1',3'-dithiol-2'-ylidene)anthracene}","","- C28 H24 S8 -","- C28 H24 S8 -","- C112 H96 S32 -","4","1","","Christensen, Christian A; Batsanov, Andrei S; Bryce, Martin R","Extreme conformational constraints in pi-extended tetrathiafulvalenes: unusual topologies and redox behavior of doubly and triply bridged cyclophanes.","Journal of the American Chemical Society","2006","128","32","10484","10490","10.1021/ja062358m","","","0.71073","MoKα","","0.0498","0.0428","","","0.0973","0.1009","","","","","","1.115","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101322","11.6582","0.0009","16.0938","0.0013","25.285","0.002","90","","97.11","0.01","90","","4707.6","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl4 O6 S8 -","- C44 H42 Cl4 O6 S8 -","- C176 H168 Cl16 O24 S32 -","4","1","","Christensen, Christian A; Batsanov, Andrei S; Bryce, Martin R","Extreme conformational constraints in pi-extended tetrathiafulvalenes: unusual topologies and redox behavior of doubly and triply bridged cyclophanes.","Journal of the American Chemical Society","2006","128","32","10484","10490","10.1021/ja062358m","","","0.71073","MoKα","","0.0547","0.0424","","","0.0968","0.104","","","","","","1.066","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101323","13.782","0.012","12.776","0.011","21.606","0.019","90","","96.037","0.016","90","","3783","6","208","2","208","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29.85 H59.55 Al2 Cl2.15 Cr N S2 -","- C29.85 H59.55 Al2 Cl2.15 Cr N S2 -","- C119.4 H238.2 Al8 Cl8.6 Cr4 N4 S8 -","4","1","","Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates.","Journal of the American Chemical Society","2006","128","28","9238","9247","10.1021/ja0623717","","","0.71073","MoKα","","0.1176","0.0734","","","0.1659","0.1848","","","","","","1.042","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101324","10.8236","0.0018","29.167","0.005","11.75","0.002","90","","104.261","0.003","90","","3595.1","1","198","2","198","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26.5 H43 Al Cl6 Cr N S2 -","- C26.5 H43 Al Cl6 Cr N S2 -","- C106 H172 Al4 Cl24 Cr4 N4 S8 -","4","1","","Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates.","Journal of the American Chemical Society","2006","128","28","9238","9247","10.1021/ja0623717","","","0.71073","MoKα","","0.105","0.0684","","","0.1643","0.1875","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101325","7.4228","0.0016","25.919","0.006","16.281","0.003","90","","92.681","0.004","90","","3128.9","1.2","198","2","198","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H39 Al Cl6 Cr N O S2 -","- C20 H39 Al Cl6.01 Cr N O S2 -","- C80 H156 Al4 Cl24.04 Cr4 N4 O4 S8 -","4","1","","Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates.","Journal of the American Chemical Society","2006","128","28","9238","9247","10.1021/ja0623717","","","0.71073","MoKα","","0.1205","0.0676","","","0.1262","0.1459","","","","","","1.04","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101326","9.467","0.005","11.999","0.007","17.895","0.01","83.573","0.01","81.026","0.01","67.885","0.009","1857.1","1.8","207","2","207","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H30 Al3 Cl12 Cr N S2 -","- C16 H30 Al3 Cl12 Cr N S2 -","- C32 H60 Al6 Cl24 Cr2 N2 S4 -","2","1","","Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates.","Journal of the American Chemical Society","2006","128","28","9238","9247","10.1021/ja0623717","","","0.71073","MoKα","","0.1278","0.0969","","","0.2271","0.2477","","","","","","1.069","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101327","10.987","0.004","12.816","0.005","13.475","0.005","67.23","0.006","83.158","0.006","66.385","0.006","1601.7","1","208","2","208","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H49 Al Cl3 Cr N S2 -","- C24 H49 Al Cl3 Cr N S2 -","- C48 H98 Al2 Cl6 Cr2 N2 S4 -","2","1","","Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates.","Journal of the American Chemical Society","2006","128","28","9238","9247","10.1021/ja0623717","","","0.71073","MoKα","","0.1444","0.0727","","","0.1481","0.1799","","","","","","0.911","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101328","11.198","0.007","20.051","0.015","12.262","0.009","90","","115.98","0.03","90","","2475","3","208","2","208","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H39 Cl2 Cr N O S2 -","- C20 H39 Cl2 Cr N O S2 -","- C80 H156 Cl8 Cr4 N4 O4 S8 -","4","1","","Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates.","Journal of the American Chemical Society","2006","128","28","9238","9247","10.1021/ja0623717","","","0.71073","MoKα","","0.1402","0.0642","","","0.1173","0.1422","","","","","","1.012","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101329","8.019","0.003","8.794","0.004","14.224","0.006","79.18","0.03","78.75","0.06","85.58","0.04","965.5","0.7","209","2","209","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H30 Cl Cr N S2 -","- C16 H30 Cl Cr N S2 -","- C32 H60 Cl2 Cr2 N2 S4 -","2","1","","Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates.","Journal of the American Chemical Society","2006","128","28","9238","9247","10.1021/ja0623717","","","0.71073","MoKα","","0.061","0.0397","","","0.0671","0.072","","","","","","1.012","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101330","11.115","0.004","13.567","0.005","15.758","0.005","103.462","0.007","92.753","0.007","109.525","0.006","2157.4","1.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31.5 Dy Fe N14.5 O26 -","- C28 H28 Dy Fe N14.93 O26 -","- C56 H56 Dy2 Fe2 N29.86 O52 -","2","1","","Ferbinteanu, Marilena; Kajiwara, Takashi; Choi, Kwang-Yong; Nojiri, Hiroyuki; Nakamoto, Akio; Kojima, Norimichi; Cimpoesu, Fanica; Fujimura, Yuichi; Takaishi, Shinya; Yamashita, Masahiro","A binuclear Fe(III)Dy(III) single molecule magnet. Quantum effects and models.","Journal of the American Chemical Society","2006","128","28","9008","9009","10.1021/ja062399i","","","0.71073","MoKα","","0.0603","0.0518","","","0.1272","0.1315","","","","","","1.137","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101331","10.671","0.0016","12.0211","0.0018","13.823","0.002","78.04","0.003","78.255","0.003","70.89","0.003","1621.4","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","03038a","","","- C39 H47 N5 -","- C39 H47 N5 -","- C78 H94 N10 -","2","1","","Rosenthal, Joel; Hodgkiss, Justin M; Young, Elizabeth R; Nocera, Daniel G","Spectroscopic determination of proton position in the proton-coupled electron transfer pathways of donor-acceptor supramolecule assemblies.","Journal of the American Chemical Society","2006","128","32","10474","10483","10.1021/ja062430g","","","0.71073","MoKα","","0.0746","0.0516","","","0.1343","0.1533","","","","","","1.028","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101332","10.0768","0.0014","10.4422","0.0007","12.5172","0.0008","109.267","0.002","106.75","0.003","96.752","0.003","1157.17","0.19","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H28 O8 -","- C28 H28 O8 -","- C56 H56 O16 -","2","1","","Gerard, Baudouin; Sangji, Sheharbano; O'Leary, Daniel J; Porco, Jr, John A","Enantioselective photocycloaddition mediated by chiral Brønsted acids: asymmetric synthesis of the rocaglamides.","Journal of the American Chemical Society","2006","128","24","7754","7755","10.1021/ja062621j","","","0.71073","MoKα","","0.0507","0.036","","","0.0934","0.0991","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101333","25.603","0.0013","16.0366","0.001","27.6197","0.0016","90","","99.148","0.002","90","","11196","1.1","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C125 H90 Cl6 O8 -","- C125 H90 Cl6 O8 -","- C500 H360 Cl24 O32 -","4","1","","Gerard, Baudouin; Sangji, Sheharbano; O'Leary, Daniel J; Porco, Jr, John A","Enantioselective photocycloaddition mediated by chiral Brønsted acids: asymmetric synthesis of the rocaglamides.","Journal of the American Chemical Society","2006","128","24","7754","7755","10.1021/ja062621j","","","0.71073","MoKα","","0.0912","0.0768","","","0.2166","0.2298","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101334","10.2354","0.0006","18.0628","0.001","16.1878","0.0009","90","","103.189","0.003","90","","2913.9","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C73 H50 O4 -","- C73 H50 O4 -","- C146 H100 O8 -","2","1","","Gerard, Baudouin; Sangji, Sheharbano; O'Leary, Daniel J; Porco, Jr, John A","Enantioselective photocycloaddition mediated by chiral Brønsted acids: asymmetric synthesis of the rocaglamides.","Journal of the American Chemical Society","2006","128","24","7754","7755","10.1021/ja062621j","","","0.71073","MoKα","","0.0506","0.0453","","","0.1207","0.1237","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101335","17.495","0.0018","17.495","0.0018","18.5306","0.0019","90","","90","","90","","5671.8","1","150","2","150","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C74 H98 N24 O22 V10 -","- C74 H16 N24 O22 V10 -","- C148 H32 N48 O44 V20 -","2","0.0625","","Laye, Rebecca H; Wei, Qiang; Mason, Pamela V; Shanmugam, Maheswaran; Teat, Simon J; Brechin, Euan K; Collison, David; McInnes, Eric J L","A highly reduced vanadium(III/IV) polyoxovanadate comprising an octavanadyl square-prism surrounding a dimetallic vanadium(III) fragment.","Journal of the American Chemical Society","2006","128","28","9020","9021","10.1021/ja062723+","","","0.6778","synchrotron","","0.0889","0.0783","","","0.2658","0.2826","","","","","","1.132","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101336","9.918","0.002","13.261","0.003","17.723","0.004","90","","95.05","0.03","90","","2321.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O4 Pd2 -","- C26 H22 N2 O4 Pd2 -","- C104 H88 N8 O16 Pd8 -","4","1","","Thu, Hung-Yat; Yu, Wing-Yiu; Che, Chi-Ming","Intermolecular amidation of unactivated sp2 and sp2 C-H bonds via palladium-catalyzed cascade C-H activation/nitrene insertion.","Journal of the American Chemical Society","2006","128","28","9048","9049","10.1021/ja062856v","","","0.71073","MoKα","","0.0471","0.0265","","","0.0562","0.0589","","","","","","0.833","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101337","10.356","0.002","17.055","0.003","7.401","0.0015","90","","95.65","0.03","90","","1300.8","0.5","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F3 N2 O -","- C14 H11 F3 N2 O -","- C56 H44 F12 N8 O4 -","4","1","","Thu, Hung-Yat; Yu, Wing-Yiu; Che, Chi-Ming","Intermolecular amidation of unactivated sp2 and sp2 C-H bonds via palladium-catalyzed cascade C-H activation/nitrene insertion.","Journal of the American Chemical Society","2006","128","28","9048","9049","10.1021/ja062856v","","","0.71073","MoKα","","0.0857","0.0589","","","0.1734","0.1868","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101338","11.7556","0.0005","13.8565","0.0006","17.1139","0.0009","90","","106.66","0.001","90","","2670.7","0.2","141","1","141","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H42 I2 N2 O3 U -","- C20 H42 I2 N2 O3 U -","- C80 H168 I8 N8 O12 U4 -","4","0.5","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0187","0.0168","","","0.0424","0.0427","","","","","","1.21","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101339","9.1025","0.0006","17.4883","0.0011","43.339","0.003","90","","90","","90","","6899","0.8","141","1","141","1","","","","","","","","7","P b c 21","P 2c -2b","29","","","","- C28 H30 F12 I2 N2 O3 U -","- C28 H30 F12 I2 N2 O3 U -","- C224 H240 F96 I16 N16 O24 U8 -","8","2","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0543","0.0388","","","0.0841","0.0936","","","","","","0.793","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101340","16.6844","0.0006","13.7864","0.0005","18.5403","0.0007","90","","90.311","0.001","90","","4264.5","0.3","141","1","141","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H66 I2 N2 O4 U -","- C40 H66 I2 N2 O4 U -","- C160 H264 I8 N8 O16 U4 -","4","1","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0452","0.0298","","","0.0643","0.0685","","","","","","1.061","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101341","8.2887","0.0007","15.6397","0.0012","9.7391","0.0008","90","","108.495","0.001","90","","1197.3","0.17","141","1","141","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 I2 N4 U -","- C18 H28 I2 N4 U -","- C36 H56 I4 N8 U2 -","2","0.5","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0236","0.0174","","","0.0368","0.0376","","","","","","1.021","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101342","11.7915","0.0014","20.984","0.003","18.416","0.002","90","","100.172","0.002","90","","4485.2","0.9","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 I2 N2 O2 P2 U -","- C44 H48 I2 N2 O2 P2 U -","- C176 H192 I8 N8 O8 P8 U4 -","4","1","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0417","0.026","","","0.0484","0.0522","","","","","","1.164","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101343","23.516","0.003","23.516","","10.6177","0.0014","90","","90","","90","","5871.7","1.1","203","2","203","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C18 H44 I2 N2 O P2 U -","- C18 H14 I2 N2 O P2 U -","- C144 H112 I16 N16 O8 P16 U8 -","8","1","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0449","0.0344","","","0.0753","0.0773","","","","","","1.595","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101344","13.224","0.002","16.179","0.003","15.338","0.003","90","","98.158","0.003","90","","3248.2","1","203","2","203","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 Cl2 F6 N2 O8 S2 U -","- C23 H28 Cl2 F6 N2 O8 S2 U -","- C92 H112 Cl8 F24 N8 O32 S8 U4 -","4","1","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0611","0.0309","","","0.0541","0.0604","","","","","","1.096","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101345","3.9686","0.0001","3.9686","","19.3154","0.0006","90","","90","","90","","304.21","0.01","","","298","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- La3 Ni2 O6 -","- La3 Ni2 O6 -","- La6 Ni4 O12 -","2","0.0625","","Poltavets, Viktor V; Lokshin, Konstantin A; Dikmen, Sibel; Croft, Mark; Egami, Takeshi; Greenblatt, Martha","La3Ni2O6: a new double T'-type nickelate with infinite Ni1+/2+O2 layers.","Journal of the American Chemical Society","2006","128","28","9050","9051","10.1021/ja063031o","powder diffraction","neutron","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101346","8.3346","0.0008","8.4671","0.0008","14.5068","0.0014","84.83","0.005","85.483","0.005","68.227","0.004","945.7","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Compound 2A","","","- C20 H33 Mo N O -","- C20 H33 Mo N O -","- C40 H66 Mo2 N2 O2 -","2","1","","Graham, Peter M; Buschhaus, Miriam S A; Legzdins, Peter","Intramolecular C-H activation reactions of molybdenacyclobutanes.","Journal of the American Chemical Society","2006","128","28","9038","9039","10.1021/ja063249a","","","0.71073","MoKα","","0.0239","0.0204","","","0.0525","0.0535","","","","","","1.068","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101347","8.9342","0.0011","13.7757","0.0016","16.5414","0.0008","90","","101.191","0.007","90","","1997.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 3C","","","- C21 H33 Mo N O -","- C21 H33 Mo N O -","- C84 H132 Mo4 N4 O4 -","4","1","","Graham, Peter M; Buschhaus, Miriam S A; Legzdins, Peter","Intramolecular C-H activation reactions of molybdenacyclobutanes.","Journal of the American Chemical Society","2006","128","28","9038","9039","10.1021/ja063249a","","","0.71073","MoKα","","0.0416","0.0291","","","0.0667","0.0713","","","","","","1.069","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101348","19.614","0.002","17.1143","0.0017","15.5191","0.0017","90","","118.88","0.004","90","","4561.5","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound 5B","","","- C23 H39 Mo N O -","- C23 H39 Mo N O -","- C184 H312 Mo8 N8 O8 -","8","1","","Graham, Peter M; Buschhaus, Miriam S A; Legzdins, Peter","Intramolecular C-H activation reactions of molybdenacyclobutanes.","Journal of the American Chemical Society","2006","128","28","9038","9039","10.1021/ja063249a","","","0.71073","MoKα","","0.0355","0.0253","","","0.0567","0.0591","","","","","","1.021","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101349","10.574","0.002","15.982","0.003","10.753","0.002","90","","92.79","0.03","90","","1815.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 N O8 S -","- C14 H25 N O8 S -","- C56 H100 N4 O32 S4 -","4","1","","Schnermann, Martin J; Romero, F Anthony; Hwang, Inkyu; Nakamaru-Ogiso, Eiko; Yagi, Takao; Boger, Dale L","Total synthesis of piericidin A1 and B1 and key analogues.","Journal of the American Chemical Society","2006","128","36","11799","11807","10.1021/ja0632862","","","0.71073","MoKα","","0.0675","0.0562","","","0.1389","0.1458","","","","","","1.12","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101350","15.341","0.003","8.307","0.0017","15.902","0.003","90","","92.24","0.03","90","","2025","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 N O4 Si -","- C18 H33 N O4 Si -","- C72 H132 N4 O16 Si4 -","4","1","","Schnermann, Martin J; Romero, F Anthony; Hwang, Inkyu; Nakamaru-Ogiso, Eiko; Yagi, Takao; Boger, Dale L","Total synthesis of piericidin A1 and B1 and key analogues.","Journal of the American Chemical Society","2006","128","36","11799","11807","10.1021/ja0632862","","","0.71073","MoKα","","0.0781","0.0653","","","0.1627","0.1706","","","","","","1.156","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101351","5.936","0.0002","10.2325","0.0004","22.8396","0.001","90","","90","","90","","1387.28","0.09","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O2 S -","- C17 H14 O2 S -","- C68 H56 O8 S4 -","4","1","","Wang, Wei; Li, Hao; Wang, Jian; Zu, Liansuo","Enantioselective organocatalytic tandem Michael-Aldol reactions: one-pot synthesis of chiral thiochromenes.","Journal of the American Chemical Society","2006","128","32","10354","10355","10.1021/ja063328m","","","0.71073","MoKα","","0.0464","0.0403","","","0.1116","0.1221","","","","","","1.085","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101352","12.9214","0.0019","17.031","0.002","13.687","0.002","90","","104.194","0.003","90","","2920","0.7","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C27 H35 I2 N3 Ni -","- C27 H35 I2 N3 Ni -","- C108 H140 I8 N12 Ni4 -","4","1","","Jones, Gavin D; Martin, Jason L; McFarland, Chris; Allen, Olivia R; Hall, Ryan E; Haley, Aireal D; Brandon, R Jacob; Konovalova, Tatyana; Desrochers, Patrick J; Pulay, Peter; Vicic, David A","Ligand redox effects in the synthesis, electronic structure, and reactivity of an alkyl-alkyl cross-coupling catalyst.","Journal of the American Chemical Society","2006","128","40","13175","13183","10.1021/ja063334i","","","0.7107","MoKα","","0.0368","0.0319","","","0.0811","0.0849","","","","","","1.076","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101353","24.7394","0.0001","13.3588","0.0006","19.2393","0.0005","90","","114.79","0.002","90","","5772.5","0.3","225","2","225","2","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cl3 N5 O2 -","- C22 H24 Cl3 N5 O2 -","- C176 H192 Cl24 N40 O16 -","8","1","","Lebel, Olivier; Maris, Thierry; Perron, Marie-Eve; Demers, Eric; Wuest, James D","The dark side of crystal engineering: creating glasses from small symmetric molecules that form multiple hydrogen bonds.","Journal of the American Chemical Society","2006","128","32","10372","10373","10.1021/ja063353s","","","0.71073","MoKα","","0.1247","0.0701","","","0.1973","0.2238","","","","","","1.035","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4101354","19.775","0.004","19.775","0.004","29.273","0.007","90","","90","","120","","9914","4","128","2","128","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C69.5 H85.1 Cl1.5 N3 O9 -","- C69.398 H63.5 Cl1.5 N3 O9 -","- C416.388 H381 Cl9 N18 O54 -","6","0.333333","","Jiang, Xuan; Bollinger, John C; Lee, Dongwhan","Two-dimensional electronic conjugation: cooperative folding and fluorescence switching.","Journal of the American Chemical Society","2006","128","36","11732","11733","10.1021/ja063413u","","","0.71073","MoKα","","0.114","0.0671","","","0.1385","0.1652","","","","","","1.087","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101355","25.4387","0.0005","25.4387","0.0005","25.4387","0.0005","90","","90","","90","","16462.1","0.6","293","2","293","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN-9","","","- C64 H32 Co4 N8 O17 -","- C64 H32 Co4 N8 O17 -","- C384 H192 Co24 N48 O102 -","6","0.0625","","Ma, Shengqian; Zhou, Hong-Cai","A metal-organic framework with entatic metal centers exhibiting high gas adsorption affinity.","Journal of the American Chemical Society","2006","128","36","11734","11735","10.1021/ja063538z","","","0.71073","MoKα","","0.1233","0.1031","","","0.3066","0.3196","","","","","","1.218","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101356","21.3799","0.0007","24.3158","0.0014","18.4091","0.001","90","","90","","90","","9570.3","0.8","140","2","140","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C90 H124 N12 O26 Ru6 -","- C90 H96 N12 O26 Ru6 -","- C360 H384 N48 O104 Ru24 -","4","1","","Grote, Zacharias; Bonazzi, Simone; Scopelliti, Rosario; Severin, Kay","Bridged dihydroxypyridine ligands for the synthesis of expanded helicates.","Journal of the American Chemical Society","2006","128","32","10382","10383","10.1021/ja0637806","","","0.71073","MoKα","","0.0699","0.0416","","","0.0683","0.0744","","","","","","0.794","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101357","24.471","0.005","14.566","0.003","31.674","0.006","90","","91.08","0.03","90","","11288","4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C90 H154 N12 O38 Ru6 -","- C90 H102 N12 O38 Ru6 -","- C360 H408 N48 O152 Ru24 -","4","0.5","","Grote, Zacharias; Bonazzi, Simone; Scopelliti, Rosario; Severin, Kay","Bridged dihydroxypyridine ligands for the synthesis of expanded helicates.","Journal of the American Chemical Society","2006","128","32","10382","10383","10.1021/ja0637806","","","0.71073","MoKα","","0.1567","0.0868","","","0.1933","0.2397","","","","","","1.091","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101358","25.758","0.002","25.758","0.002","25.758","0.002","90","","90","","90","","17091","2","140","2","140","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C147 H229 N15 O17 Rh6 -","- C147 H174 N15 O17 Rh6 -","- C588 H696 N60 O68 Rh24 -","4","0.333333","","Grote, Zacharias; Bonazzi, Simone; Scopelliti, Rosario; Severin, Kay","Bridged dihydroxypyridine ligands for the synthesis of expanded helicates.","Journal of the American Chemical Society","2006","128","32","10382","10383","10.1021/ja0637806","","","0.7107","MoKα","","0.1697","0.1346","","","0.3297","0.3625","","","","","","1.166","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101359","13.8629","0.0016","13.8629","0.0016","13.8629","0.0016","90","","90","","90","","2664.2","0.5","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Mg0.18 Sc3 Zn17.73 -","- Mg0.1815 Sc3 Zn17.7275 -","- Mg1.452 Sc24 Zn141.82 -","8","0.166667","","Lin, Qisheng; Corbett, John D","The 1/1 and 2/1 approximants in the Sc-Mg-Zn quasicrystal system: triacontahedral clusters as fundamental building blocks.","Journal of the American Chemical Society","2006","128","40","13268","13273","10.1021/ja063897u","","","0.71073","MoKα","","0.032","0.0264","","","0.0564","0.058","","","","","","1.056","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101360","22.412","0.002","22.412","0.002","22.412","0.002","90","","90","","90","","11257.5","1.7","293","2","293","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Mg2.52 Sc11.18 Zn73.61 -","- Mg2.535 Sc11.17 Zn73.612 -","- Mg20.28 Sc89.36 Zn588.896 -","8","0.333333","","Lin, Qisheng; Corbett, John D","The 1/1 and 2/1 approximants in the Sc-Mg-Zn quasicrystal system: triacontahedral clusters as fundamental building blocks.","Journal of the American Chemical Society","2006","128","40","13268","13273","10.1021/ja063897u","","","0.71073","MoKα","","0.1326","0.0663","","","0.1201","0.144","","","","","","1.016","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101361","6.238","0.004","7.844","0.004","18.827","0.012","90","","94.98","0.03","90","","917.7","0.9","296.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C44 H46 N2 O4 S2 -","2","1","","Shibata, Takanori; Tahara, Yu-ki","Enantioselective intramolecular [2 + 2 + 2] cycloaddition of 1,4-diene-ynes: a new approach to the construction of quaternary carbon stereocenters.","Journal of the American Chemical Society","2006","128","36","11766","11767","10.1021/ja0639160","","","0.71075","MoKα","","","0.1042","","","","0.3045","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101362","22.055","0.005","12.648","0.003","27.807","0.007","90","","98.3576","0.0011","90","","7674","3","123.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H41 Cl2 N2 P Pd S -","- C46 H41 Cl2 N2 P Pd S -","- C368 H328 Cl16 N16 P8 Pd8 S8 -","8","1","","Matano, Yoshihiro; Miyajima, Tooru; Nakabuchi, Takashi; Imahori, Hiroshi; Ochi, Noriaki; Sakaki, Shigeyoshi","Phosphorus-containing hybrid calixphyrins: promising mixed-donor ligands for visible and efficient palladium catalysts.","Journal of the American Chemical Society","2006","128","36","11760","11761","10.1021/ja0640039","","","0.7107","MoKα","","","0.0496","","","","0.1276","","","","","","1.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101363","26.188","0.005","10.1923","0.0017","31.765","0.006","90","","112.779","0.0005","90","","7817","2","123.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H82 Cl4 N4 P2 S2 -","- C92 H84 Cl4 N4 P2 S2 -","- C368 H336 Cl16 N16 P8 S8 -","4","1","","Matano, Yoshihiro; Miyajima, Tooru; Nakabuchi, Takashi; Imahori, Hiroshi; Ochi, Noriaki; Sakaki, Shigeyoshi","Phosphorus-containing hybrid calixphyrins: promising mixed-donor ligands for visible and efficient palladium catalysts.","Journal of the American Chemical Society","2006","128","36","11760","11761","10.1021/ja0640039","","","0.7107","MoKα","","","0.0903","","","","0.1523","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101364","9.7554","0.0013","10.0375","0.0014","19.968","0.003","87.666","0.002","77.183","0.002","85.699","0.002","1900.6","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H49 Cl2 F4 N2 P Ru -","- C40 H49 Cl2 F4 N2 P Ru -","- C80 H98 Cl4 F8 N4 P2 Ru2 -","2","1","","Ritter, Tobias; Day, Michael W; Grubbs, Robert H","Rate acceleration in olefin metathesis through a fluorine-ruthenium interaction.","Journal of the American Chemical Society","2006","128","36","11768","11769","10.1021/ja064091x","","","0.71073","MoKα","","0.1046","0.0642","","","0.1203","0.1289","","","","","","1.32","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101365","15.8715","0.0004","13.4827","0.0004","11.2212","0.0003","90","","90.146","0.001","90","","2401.22","0.11","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Cl2 F4 N2 O Ru -","- C25 H22 Cl2 F4 N2 O Ru -","- C100 H88 Cl8 F16 N8 O4 Ru4 -","4","1","","Ritter, Tobias; Day, Michael W; Grubbs, Robert H","Rate acceleration in olefin metathesis through a fluorine-ruthenium interaction.","Journal of the American Chemical Society","2006","128","36","11768","11769","10.1021/ja064091x","","","0.71073","MoKα","","0.0602","0.0353","","","0.0677","0.0717","","","","","","1.174","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101366","15.9798","0.0006","16.9461","0.0006","39.4746","0.0015","90","","98.185","0.001","90","","10580.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Cl6 N2 O Ru -","- C25 H22 Cl6 N2 O Ru -","- C400 H352 Cl96 N32 O16 Ru16 -","16","4","","Ritter, Tobias; Day, Michael W; Grubbs, Robert H","Rate acceleration in olefin metathesis through a fluorine-ruthenium interaction.","Journal of the American Chemical Society","2006","128","36","11768","11769","10.1021/ja064091x","","","0.71073","MoKα","","0.1773","0.1004","","","0.1215","0.1363","","","","","","1.621","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101367","14.8554","0.0006","17.3381","0.0007","19.4448","0.0008","102.681","0.001","97.261","0.001","93.09","0.001","4829.7","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H58 Cl6 F4 N3 O3 P Ru -","- C45 H58 Cl6 F4 N3 O3 P Ru -","- C180 H232 Cl24 F16 N12 O12 P4 Ru4 -","4","2","","Ritter, Tobias; Day, Michael W; Grubbs, Robert H","Rate acceleration in olefin metathesis through a fluorine-ruthenium interaction.","Journal of the American Chemical Society","2006","128","36","11768","11769","10.1021/ja064091x","","","0.71073","MoKα","","0.086","0.0454","","","0.0724","0.0772","","","","","","1.562","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101368","27.2151","0.0008","27.2151","0.0008","10.5174","0.0004","90","","90","","90","","7789.8","0.4","100","2","100","2","","","","","","","","7","I -4","I -4","82","","","","- C42 H36.5 Cl2 F8 N4 O1.25 Ru -","- C42 H36.5 Cl2 F8 N4 O1.25 Ru -","- C336 H292 Cl16 F64 N32 O10 Ru8 -","8","1","","Ritter, Tobias; Day, Michael W; Grubbs, Robert H","Rate acceleration in olefin metathesis through a fluorine-ruthenium interaction.","Journal of the American Chemical Society","2006","128","36","11768","11769","10.1021/ja064091x","","","0.71073","MoKα","","0.0771","0.0441","","","0.0685","0.0748","","","","","","0.946","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101369","37.64","0.04","7.498","0.006","14.03","0.01","90","","90","","90","","3960","6","296.1","","","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C11 H6 Br2 Fe0.5 S5 Se4 -","- C11 H6 Br2 Fe0.5 S5 Se4 -","- C88 H48 Br16 Fe4 S40 Se32 -","8","1","","Hayashi, Toshiki; Xiao, Xunwen; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Fujimoto, Tsutomu; Yasuzuka, Syuma; Yoshino, Harukazu; Murata, Keizo; Mori, Takehiko; Aruga-Katori, Hiroko","A metallic (EDT-DSDTFVSDS)2.FeBr4 salt: antiferromagnetic ordering of d spins of FeBr4- ions and anomalous magnetoresistance due to preferential pi-d interaction.","Journal of the American Chemical Society","2006","128","36","11746","11747","10.1021/ja064307v","","","0.7107","MoKα","","","0.057","","","","0.095","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101370","37.766","0.006","7.5021","0.0011","14.043","0.002","90","","90","","90","","3978.7","1","293.1","","","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C11 H6 Br2 Ga0.5 S5 Se4 -","- C11 H6 Br2 Ga0.5 S5 Se4 -","- C88 H48 Br16 Ga4 S40 Se32 -","8","1","","Hayashi, Toshiki; Xiao, Xunwen; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Fujimoto, Tsutomu; Yasuzuka, Syuma; Yoshino, Harukazu; Murata, Keizo; Mori, Takehiko; Aruga-Katori, Hiroko","A metallic (EDT-DSDTFVSDS)2.FeBr4 salt: antiferromagnetic ordering of d spins of FeBr4- ions and anomalous magnetoresistance due to preferential pi-d interaction.","Journal of the American Chemical Society","2006","128","36","11746","11747","10.1021/ja064307v","","","0.7107","MoKα","","","0.054","","","","0.066","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101371","13.177","0.004","18.665","0.006","15.421","0.005","90","","96.982","0.006","90","","3765","2","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pt-B-complex tetrabutylammonium","tetra butylammonium dimethyl-2-dipyridyl-borane bis-phenyl platinum","","- C40 H60 B N3 Pt -","- C40 H60 B N3 Pt -","- C160 H240 B4 N12 Pt4 -","4","1","","Khaskin, Eugene; Zavalij, Peter Y; Vedernikov, Andrei N","Facile arene C-H bond activation and alkane dehydrogenation with anionic LPt(II)Me2- in hydrocarbon-water systems (L = dimethyldi(2-pyridyl)borate).","Journal of the American Chemical Society","2006","128","40","13054","13055","10.1021/ja0643570","","","0.71073","MoKα","","0.0704","0.0383","","","0.079","0.0842","","","","","","1","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101372","11.746","0.002","21.439","0.003","19.87","0.003","90","","101.66","0.02","90","","4900.5","1.3","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H78 Al Mg N3 O3 Si2 -","- C44 H78 Al Mg N3 O3 Si2 -","- C176 H312 Al4 Mg4 N12 O12 Si8 -","4","1","","Nembenna, Sharanappa; Roesky, Herbert W; Mandal, Swadhin K; Oswald, Rainer B; Pal, Aritra; Herbst-Irmer, Regine; Noltemeyer, Mathias; Schmidt, Hans-Georg","Soluble molecular compounds with the Mg-O-Al structural motif: a model approach for the fixation of organometallics on a MgO surface.","Journal of the American Chemical Society","2006","128","40","13056","13057","10.1021/ja064460p","","","0.71073","MoKα","","0.0802","0.0394","","","0.0772","0.0855","","","","","","0.848","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101373","16.067","0.002","23.113","0.002","18.001","0.002","90","","102.06","0.02","90","0.02","6537.3","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H104 Al2 Mg N4 O4 -","- C68 H104 Al2 Mg N4 O4 -","- C272 H416 Al8 Mg4 N16 O16 -","4","1","","Nembenna, Sharanappa; Roesky, Herbert W; Mandal, Swadhin K; Oswald, Rainer B; Pal, Aritra; Herbst-Irmer, Regine; Noltemeyer, Mathias; Schmidt, Hans-Georg","Soluble molecular compounds with the Mg-O-Al structural motif: a model approach for the fixation of organometallics on a MgO surface.","Journal of the American Chemical Society","2006","128","40","13056","13057","10.1021/ja064460p","","","1.54178","CuKα","","0.0679","0.0422","","","0.0941","0.1057","","","","","","1.007","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101374","33.05","0.005","17.903","0.002","13.525","0.002","90","0.0005","105.332","0.0007","90","0.0005","7717.8","1.9","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H6 Cl F36 O7 P2 Rh -","- C19 H6 Cl F36 O7 P2 Rh -","- C152 H48 Cl8 F288 O56 P16 Rh8 -","8","1","","Yanagisawa, Shuichi; Sudo, Tomoko; Noyori, Ryoji; Itami, Kenichiro","Direct C-H arylation of (hetero)arenes with aryl iodides via rhodium catalysis.","Journal of the American Chemical Society","2006","128","36","11748","11749","10.1021/ja064500p","","","0.7107","MoKα","","0.0503","0.0419","","","0.101","0.1075","","","","","","1.105","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101375","10.392","0.002","7.2494","0.0014","24.22","0.005","90","","98.63","0.03","90","","1804","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 O -","- C23 H21 N2 O -","- C92 H84 N8 O4 -","4","1","","Wang, Ying; Wang, Hongmei; Liu, Yunqi; Di, Chong-An; Sun, Yanming; Wu, Weiping; Yu, Gui; Zhang, Deqing; Zhu, Daoben","1-Imino nitroxide pyrene for high performance organic field-effect transistors with low operating voltage.","Journal of the American Chemical Society","2006","128","40","13058","13059","10.1021/ja064580x","","","0.71073","MoKα","","0.1745","0.0947","","","0.1968","0.2394","","","","","","1.041","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101376","10.3293","0.0002","25.2058","0.0005","13.1798","0.0003","90","","99.941","0.001","90","","3379.95","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C71 H90 B2 Ir2 N14 -","- C71 H90 B2 Ir2 N14 -","- C142 H180 B4 Ir4 N28 -","2","0.5","","Alvarez, Eleuterio; Conejero, Salvador; Paneque, Margarita; Petronilho, Ana; Poveda, Manuel L; Serrano, Oracio; Carmona, Ernesto","Iridium(III)-induced isomerization of 2-substituted pyridines to N-heterocyclic carbenes.","Journal of the American Chemical Society","2006","128","40","13060","13061","10.1021/ja0646592","","","0.71073","MoKα","","0.0219","0.0177","","","0.0403","0.0416","","","","","","1.038","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101377","40.2432","0.0008","10.1628","0.0002","18.6214","0.0004","90","","101.456","0.001","90","","7464.1","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H43 B Cl2 Ir N7 -","- C39 H43 B Cl2 Ir N7 -","- C312 H344 B8 Cl16 Ir8 N56 -","8","1","","Alvarez, Eleuterio; Conejero, Salvador; Paneque, Margarita; Petronilho, Ana; Poveda, Manuel L; Serrano, Oracio; Carmona, Ernesto","Iridium(III)-induced isomerization of 2-substituted pyridines to N-heterocyclic carbenes.","Journal of the American Chemical Society","2006","128","40","13060","13061","10.1021/ja0646592","","","0.71073","MoKα","","0.0437","0.0296","","","0.0601","0.0649","","","","","","1.084","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101378","8.268","0.0005","9.505","0.0003","20.171","0.001","90","","90","","90","","1585.19","0.13","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Br N O2 -","- C17 H18 Br N O2 -","- C68 H72 Br4 N4 O8 -","4","1","","Akiyama, Takahiko; Morita, Hisashi; Fuchibe, Kohei","Chiral Brønsted acid-catalyzed inverse electron-demand aza Diels-Alder reaction.","Journal of the American Chemical Society","2006","128","40","13070","13071","10.1021/ja064676r","","","0.71073","MoKα","","0.047","0.0414","","","0.1227","0.1298","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101379","8.208","0.004","9.538","0.01","18.83","0.06","90","","90","","90","","1474","5","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br N O2 -","- C17 H16 Br N O2 -","- C68 H64 Br4 N4 O8 -","4","1","","Akiyama, Takahiko; Morita, Hisashi; Fuchibe, Kohei","Chiral Brønsted acid-catalyzed inverse electron-demand aza Diels-Alder reaction.","Journal of the American Chemical Society","2006","128","40","13070","13071","10.1021/ja064676r","","","0.7107","MoKα","","","0.0699","","","","0.1042","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101380","20.858","0.003","21.39","0.003","8.6191","0.0011","90","","90","","90","","3845.4","0.9","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C32 H63 Cl2 N O Os P2 -","- C32 H63 Cl2 N O Os P2 -","- C128 H252 Cl8 N4 O4 Os4 P8 -","4","0.5","","Esteruelas, Miguel A; Fernandez-Alvarez, Francisco J; Oñate, Enrique","Stabilization of NH tautomers of quinolines by osmium and ruthenium.","Journal of the American Chemical Society","2006","128","40","13044","13045","10.1021/ja064979l","","","0.71073","MoKα","","0.0551","0.0412","","","0.1016","0.1054","","","","","","1.106","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101381","12.2063","0.0005","12.9403","0.0006","20.1081","0.0009","90","","97.084","0.001","90","","3151.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H51 Cl2 N P2 Ru -","- C28 H51 Cl2 N P2 Ru -","- C112 H204 Cl8 N4 P8 Ru4 -","4","1","","Esteruelas, Miguel A; Fernandez-Alvarez, Francisco J; Oñate, Enrique","Stabilization of NH tautomers of quinolines by osmium and ruthenium.","Journal of the American Chemical Society","2006","128","40","13044","13045","10.1021/ja064979l","","","","MoKα","","0.0577","0.045","","","0.0975","0.1037","","","","","","1.017","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101382","12.1618","0.0018","12.818","0.002","18.106","0.003","90","","102.234","0.002","90","","2758.3","0.7","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 Ir N2 O2 S -","- C31 H35 Ir N2 O2 S -","- C124 H140 Ir4 N8 O8 S4 -","4","1","","Heiden, Zachariah M; Rauchfuss, Thomas B","Proton-induced lewis acidity of unsaturated iridium amides.","Journal of the American Chemical Society","2006","128","40","13048","13049","10.1021/ja0653831","","","0.71073","MoKα","","0.0731","0.0342","","","0.0633","0.0721","","","","","","0.954","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101383","21.585","0.005","25.611","0.006","15.358","0.004","90","","103.43","0.004","90","","8258","3","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C73 H75 B F24 Ir N2 O5.5 S -","- C72.9999 H75 B F23.9997 Ir N2 O5.5 S -","- C292 H300 B4 F95.9988 Ir4 N8 O22 S4 -","4","1","","Heiden, Zachariah M; Rauchfuss, Thomas B","Proton-induced lewis acidity of unsaturated iridium amides.","Journal of the American Chemical Society","2006","128","40","13048","13049","10.1021/ja0653831","","","0.71073","MoKα","","0.0907","0.0499","","","0.1151","0.131","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101384","9.723","0.002","10.737","0.003","21.644","0.006","100.49","0.03","90.74","0.03","98.62","0.03","2194.7","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 Cl2 N2 O3 Ru -","- C51 H45 Cl2 N2 O3 Ru -","- C102 H90 Cl4 N4 O6 Ru2 -","2","1","","Samec, Joseph S M; Ell, Alida H; Aberg, Jenny B; Privalov, Timofei; Eriksson, Lars; Bäckvall, Jan-E","Mechanistic study of hydrogen transfer to imines from a hydroxycyclopentadienyl ruthenium hydride. Experimental support for a mechanism involving coordination of imine to ruthenium prior to hydrogen transfer.","Journal of the American Chemical Society","2006","128","44","14293","14305","10.1021/ja061494o","","","0.71073","MoKα","","0.1021","0.0752","","","0.2036","0.2281","","","","","","1.442","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101385","23.9275","0.0007","14.7281","0.0005","25.8285","0.0007","90.033","0.003","91.522","0.002","90.048","0.003","9098.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C102 H90 Cl4 N4 O6 Ru2 -","- C102 H90 Cl4 N4 O6 Ru2 -","- C408 H360 Cl16 N16 O24 Ru8 -","4","1","","Samec, Joseph S M; Ell, Alida H; Aberg, Jenny B; Privalov, Timofei; Eriksson, Lars; Bäckvall, Jan-E","Mechanistic study of hydrogen transfer to imines from a hydroxycyclopentadienyl ruthenium hydride. Experimental support for a mechanism involving coordination of imine to ruthenium prior to hydrogen transfer.","Journal of the American Chemical Society","2006","128","44","14293","14305","10.1021/ja061494o","","","0.71073","MoKα","","0.1167","0.0583","","","0.1562","0.1839","","","","","","1.002","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101386","11.8569","0.0007","19.6421","0.0012","27.9528","0.0018","90","","90","","90","","6510.1","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H34 N3 O3 P -","- C37 H34 N3 O3 P -","- C296 H272 N24 O24 P8 -","8","2","","Liu, Yan; Sandoval, Christian A; Yamaguchi, Yoshiki; Zhang, Xue; Wang, Zheng; Kato, Koichi; Ding, Kuiling","Hydrogen bonding makes a difference in the rhodium-catalyzed enantioselective hydrogenation using monodentate phosphoramidites.","Journal of the American Chemical Society","2006","128","44","14212","14213","10.1021/ja063350f","","","0.71073","MoKα","","0.156","0.0535","","","0.0979","0.1222","","","","","","0.767","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101387","10.918","0.002","16.9","0.004","29.431","0.006","88.622","0.006","83.727","0.005","86.822","0.006","5389","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H39.5 Co K N5.5 O4 -","- C20.0095 H39.5 Co K N5.5 O4 -","- C160.076 H316 Co8 K8 N44 O32 -","8","4","","Lucas, Robie L; Zart, Matthew K; Mukherjee, Jhumpa; Murkerjee, Jhumpa; Sorrell, Thomas N; Powell, Douglas R; Borovik, A S","A modular approach toward regulating the secondary coordination sphere of metal ions: differential dioxygen activation assisted by intramolecular hydrogen bonds.","Journal of the American Chemical Society","2006","128","48","15476","15489","10.1021/ja063935+","","","0.71073","MoKα","","0.1712","0.09","","","0.2258","0.2661","","","","","","1.001","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101388","21.116","0.004","10.467","0.002","26.338","0.005","90","","90","","90","","5821.3","1.9","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H47 Co K N6 O4 -","- C19 H37 Co K N6 O3 -","- C152 H296 Co8 K8 N48 O24 -","8","2","","Lucas, Robie L; Zart, Matthew K; Mukherjee, Jhumpa; Murkerjee, Jhumpa; Sorrell, Thomas N; Powell, Douglas R; Borovik, A S","A modular approach toward regulating the secondary coordination sphere of metal ions: differential dioxygen activation assisted by intramolecular hydrogen bonds.","Journal of the American Chemical Society","2006","128","48","15476","15489","10.1021/ja063935+","","","0.71073","MoKα","","0.0655","0.0602","","","0.1486","0.153","","","","","","1.012","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101389","8.568","0.005","10.355","0.006","14.392","0.008","69.514","0.012","84.273","0.012","84.687","0.01","1187.9","1.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H34 Co K N5 O4 -","- C18 H34 Co K N5 O4 -","- C36 H68 Co2 K2 N10 O8 -","2","1","","Lucas, Robie L; Zart, Matthew K; Mukherjee, Jhumpa; Murkerjee, Jhumpa; Sorrell, Thomas N; Powell, Douglas R; Borovik, A S","A modular approach toward regulating the secondary coordination sphere of metal ions: differential dioxygen activation assisted by intramolecular hydrogen bonds.","Journal of the American Chemical Society","2006","128","48","15476","15489","10.1021/ja063935+","","","0.71073","MoKα","","0.1549","0.1214","","","0.3004","0.3221","","","","","","1.009","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101390","11.738","0.003","31.298","0.008","12.271","0.004","90","","116.696","0.005","90","","4028","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H77 Co N7 O4 -","- C32 H67 Co N7 O3 -","- C128 H268 Co4 N28 O12 -","4","1","","Lucas, Robie L; Zart, Matthew K; Mukherjee, Jhumpa; Murkerjee, Jhumpa; Sorrell, Thomas N; Powell, Douglas R; Borovik, A S","A modular approach toward regulating the secondary coordination sphere of metal ions: differential dioxygen activation assisted by intramolecular hydrogen bonds.","Journal of the American Chemical Society","2006","128","48","15476","15489","10.1021/ja063935+","","","0.71073","MoKα","","0.0994","0.0783","","","0.1967","0.2064","","","","","","1.075","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101391","10.2288","0.0004","16.9751","0.0006","30.7998","0.0011","76.139","0.001","80.669","0.002","78.504","0.002","5051.1","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H144 Cl12 N4 Ni O12 Re3 -","- C70 H144 Cl12 N4 Ni O12 Re3 -","- C140 H288 Cl24 N8 Ni2 O24 Re6 -","2","1","","Martínez-Lillo, José; Armentano, Donatella; De Munno, Giovanni; Wernsdorfer, Wolfgang; Julve, Miguel; Lloret, Francesc; Faus, Juan","A Heterotetranuclear [NiIIReIV3] single-molecule magnet.","Journal of the American Chemical Society","2006","128","44","14218","14219","10.1021/ja0643873","","","0.71073","MoKα","","0.0949","0.0508","","","0.1352","0.1731","","","","","","0.963","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101392","5.8809","0.0003","16.6533","0.001","16.5795","0.001","90","","99.4","0.001","90","","1601.93","0.16","243","2","243","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C80 H88 N8 -","4","1","","Pastine, Stefan J; Gribkov, Denis V; Sames, Dalibor","sp3 C-H bond arylation directed by amidine protecting group: alpha-arylation of pyrrolidines and piperidines.","Journal of the American Chemical Society","2006","128","44","14220","14221","10.1021/ja064481j","","","0.71073","MoKα","","0.0689","0.0418","","","0.1333","0.1543","","","","","","1.036","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101393","12.4027","0.0007","10.128","0.0006","16.9164","0.0011","90","","92.727","0.005","90","","2122.5","0.2","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 B F4 Fe N4 S -","- C17 H31 B F4 Fe N4 S -","- C68 H124 B4 F16 Fe4 N16 S4 -","4","1","","Krishnamurthy, Divya; Kasper, Gary D; Namuswe, Frances; Kerber, William D; Narducci Sarjeant, Amy A; Moënne-Loccoz, Pierre; Goldberg, David P","A low-spin alkylperoxo-iron(III) complex with weak Fe-O and O-O bonds: implications for the mechanism of superoxide reductase.","Journal of the American Chemical Society","2006","128","44","14222","14223","10.1021/ja064525o","","","0.71073","MoKα","","0.0781","0.0707","","","0.1023","0.1052","","","","","","1.253","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101394","13.3964","0.0008","6.5966","0.0004","14.2897","0.0009","90","","108.118","0.006","90","","1200.18","0.13","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Br2 Fe2 O10 Te4 -","- Br2 Fe2 O10 Te4 -","- Br8 Fe8 O40 Te16 -","4","1","","Becker, Richard; Johnsson, Mats; Kremer, Reinhard K; Klauss, Hans-Henning; Lemmens, Peter","Crystal structure and magnetic properties of FeTe2O5X (X=Cl, Br): a frustrated spin cluster compound with a new Te(IV) coordination polyhedron.","Journal of the American Chemical Society","2006","128","48","15469","15475","10.1021/ja064738d","","","0.71073","MoKα","","0.0533","0.0317","","","0.0582","0.0617","","","","","","0.924","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101395","13.2722","0.0008","6.5965","0.0004","14.2351","0.0009","90","","108.02","0.005","90","","1185.15","0.13","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Br Cl Fe2 O10 Te4 -","- Br Cl Fe2 O10 Te4 -","- Br4 Cl4 Fe8 O40 Te16 -","4","1","","Becker, Richard; Johnsson, Mats; Kremer, Reinhard K; Klauss, Hans-Henning; Lemmens, Peter","Crystal structure and magnetic properties of FeTe2O5X (X=Cl, Br): a frustrated spin cluster compound with a new Te(IV) coordination polyhedron.","Journal of the American Chemical Society","2006","128","48","15469","15475","10.1021/ja064738d","","","0.71073","MoKα","","0.0576","0.0309","","","0.05","0.0546","","","","","","0.964","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101396","13.1526","0.0009","6.595","0.0004","14.1454","0.0009","90","","108.771","0.006","90","","1161.73","0.13","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl2 Fe2 O10 Te4 -","- Cl2 Fe2 O10 Te4 -","- Cl8 Fe8 O40 Te16 -","4","1","","Becker, Richard; Johnsson, Mats; Kremer, Reinhard K; Klauss, Hans-Henning; Lemmens, Peter","Crystal structure and magnetic properties of FeTe2O5X (X=Cl, Br): a frustrated spin cluster compound with a new Te(IV) coordination polyhedron.","Journal of the American Chemical Society","2006","128","48","15469","15475","10.1021/ja064738d","","","0.71073","MoKα","","0.0596","0.041","","","0.0979","0.1046","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101397","13.651","0.003","14.36","0.003","21.424","0.005","90","","104.829","0.005","90","","4059.7","1.6","273","","273","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H3 Cl2 La S2 -","- C79 H3 Cl2 La S2 -","- C316 H12 Cl8 La4 S8 -","4","1","","Wakahara, Takatsugu; Nikawa, Hidefumi; Kikuchi, Takashi; Nakahodo, Tsukasa; Rahman, G M Aminur; Tsuchiya, Takahiro; Maeda, Yutaka; Akasaka, Takeshi; Yoza, Kenji; Horn, Ernst; Yamamoto, Kazunori; Mizorogi, Naomi; Slanina, Zdenek; Nagase, Shigeru","La@C72 having a non-IPR carbon cage.","Journal of the American Chemical Society","2006","128","44","14228","14229","10.1021/ja064751y","","x-ray","0.68889","SrKα","","0.0702","0.0514","","","0.1408","0.1491","","","","","","1.065","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101398","13.54","0.03","14.31","0.02","21.24","0.05","90","","104.04","0.13","90","","3990","15","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H3 Cl2 La S2 -","- C79 H3 Cl2 La S2 -","- C316 H12 Cl8 La4 S8 -","4","1","","Wakahara, Takatsugu; Nikawa, Hidefumi; Kikuchi, Takashi; Nakahodo, Tsukasa; Rahman, G M Aminur; Tsuchiya, Takahiro; Maeda, Yutaka; Akasaka, Takeshi; Yoza, Kenji; Horn, Ernst; Yamamoto, Kazunori; Mizorogi, Naomi; Slanina, Zdenek; Nagase, Shigeru","La@C72 having a non-IPR carbon cage.","Journal of the American Chemical Society","2006","128","44","14228","14229","10.1021/ja064751y","","x-ray","0.68889","SrKα","","0.0564","0.0467","","","0.1299","0.1334","","","","","","1.175","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101399","13.603","0.0006","14.2882","0.0006","21.3771","0.0009","90","","104.791","0.002","90","","4017.2","0.3","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H3 Cl2 La S2 -","- C79 H3 Cl2 La S2 -","- C316 H12 Cl8 La4 S8 -","4","1","","Wakahara, Takatsugu; Nikawa, Hidefumi; Kikuchi, Takashi; Nakahodo, Tsukasa; Rahman, G M Aminur; Tsuchiya, Takahiro; Maeda, Yutaka; Akasaka, Takeshi; Yoza, Kenji; Horn, Ernst; Yamamoto, Kazunori; Mizorogi, Naomi; Slanina, Zdenek; Nagase, Shigeru","La@C72 having a non-IPR carbon cage.","Journal of the American Chemical Society","2006","128","44","14228","14229","10.1021/ja064751y","","x-ray","0.6888","SrKα","","0.0564","0.048","","","0.1305","0.1337","","","","","","1.168","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101400","13.6044","0.0008","14.3066","0.0009","21.3763","0.0013","90","","104.851","0.001","90","","4021.5","0.4","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H3 Cl2 La S2 -","- C79 H3 Cl2 La S2 -","- C316 H12 Cl8 La4 S8 -","4","1","","Wakahara, Takatsugu; Nikawa, Hidefumi; Kikuchi, Takashi; Nakahodo, Tsukasa; Rahman, G M Aminur; Tsuchiya, Takahiro; Maeda, Yutaka; Akasaka, Takeshi; Yoza, Kenji; Horn, Ernst; Yamamoto, Kazunori; Mizorogi, Naomi; Slanina, Zdenek; Nagase, Shigeru","La@C72 having a non-IPR carbon cage.","Journal of the American Chemical Society","2006","128","44","14228","14229","10.1021/ja064751y","","","0.71073","MoKα","","0.1121","0.103","","","0.1812","0.185","","","","","","1.461","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101401","13.5538","0.0008","14.2455","0.0009","21.335","0.0013","90","","104.836","0.001","90","","3982","0.4","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H3 Cl2 La S2 -","- C79 H3 Cl2 La S2 -","- C316 H12 Cl8 La4 S8 -","4","1","","Wakahara, Takatsugu; Nikawa, Hidefumi; Kikuchi, Takashi; Nakahodo, Tsukasa; Rahman, G M Aminur; Tsuchiya, Takahiro; Maeda, Yutaka; Akasaka, Takeshi; Yoza, Kenji; Horn, Ernst; Yamamoto, Kazunori; Mizorogi, Naomi; Slanina, Zdenek; Nagase, Shigeru","La@C72 having a non-IPR carbon cage.","Journal of the American Chemical Society","2006","128","44","14228","14229","10.1021/ja064751y","","","0.71073","MoKα","","0.089","0.0789","","","0.1443","0.1474","","","","","","1.392","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101402","6.44","0.0007","6.44","0.0007","6.44","0.0007","90","","90","","90","","267.09","0.05","293","2","293","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","lead antimony telluride (3.82/0.12/4)","","- Pb3.82 Sb0.12 Te4 -","- Pb3.818 Sb0.1212 Te4 -","- Pb3.818 Sb0.1212 Te4 -","1","0.0208333","","Poudeu, Pierre F P; D'Angelo, Jonathan; Kong, Huijun; Downey, Adam; Short, Jarrod L; Pcionek, Robert; Hogan, Timothy P; Uher, Ctirad; Kanatzidis, Mercouri G","Nanostructures versus solid solutions: low lattice thermal conductivity and enhanced thermoelectric figure of merit in Pb9.6Sb0.2Te10-xSex bulk materials.","Journal of the American Chemical Society","2006","128","44","14347","14355","10.1021/ja0647811","","","0.71073","MoKα","","0.0213","0.0187","","","0.0351","0.0362","","","","","","0.935","","","","has coordinates","213973","2020-10-21","18:00:00",""
"4101403","18.9017","0.0009","11.5733","0.0005","33.382","0.0015","90","","103.584","0.001","90","","7098.2","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 B2 Cu2 F8 N4 O4 -","- C34 H34 B2 Cu2 F8 N4 O4 -","- C272 H272 B16 Cu16 F64 N32 O32 -","8","2","","Lim, Mi Hee; Wong, Brian A; Pitcock, Jr, William H; Mokshagundam, Deepa; Baik, Mu-Hyun; Lippard, Stephen J","Direct nitric oxide detection in aqueous solution by copper(II) fluorescein complexes.","Journal of the American Chemical Society","2006","128","44","14364","14373","10.1021/ja064955e","","","0.71073","MoKα","","0.1072","0.0685","","","0.1407","0.1606","","","","","","1.037","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101404","8.1902","0.0008","11.6112","0.0011","18.2776","0.0018","90","","95.235","0.002","90","","1730.9","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 B2 Cu F8 N4 O4 -","- C34 H28 B2 Cu F8 N4 O4 -","- C68 H56 B4 Cu2 F16 N8 O8 -","2","0.5","","Lim, Mi Hee; Wong, Brian A; Pitcock, Jr, William H; Mokshagundam, Deepa; Baik, Mu-Hyun; Lippard, Stephen J","Direct nitric oxide detection in aqueous solution by copper(II) fluorescein complexes.","Journal of the American Chemical Society","2006","128","44","14364","14373","10.1021/ja064955e","","","0.71073","MoKα","","0.0618","0.0493","","","0.1276","0.1355","","","","","","1.071","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101405","7.8885","0.0014","23.735","0.004","27.98","0.005","90","","90","","90","","5238.9","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-N-1-(pentafluorophenyl)ethylammonium (+)-2,3-dibenzoyl-D-tartrate","","- C26 H20 F5 N O8 -","- C26 H20 F5 N O8 -","- C208 H160 F40 N8 O64 -","8","2","","Gorske, Benjamin C; Blackwell, Helen E","Tuning peptoid secondary structure with pentafluoroaromatic functionality: a new design paradigm for the construction of discretely folded peptoid structures.","Journal of the American Chemical Society","2006","128","44","14378","14387","10.1021/ja065248o","","","0.71073","MoKα","","0.1265","0.0729","","","0.174","0.2022","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101406","11.489","0.0002","15.318","0.0004","15.526","0.0004","90","","97.331","0.0009","90","","2710.06","0.11","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H49 Cl P2 Ru -","- C24 H49 Cl P2 Ru -","- C96 H196 Cl4 P8 Ru4 -","4","1","","Kuznetsov, Vladimir F; Abdur-Rashid, Kamaluddin; Lough, Alan J; Gusev, Dmitry G","Carbene vs olefin products of C-H activation on ruthenium via competing alpha- and beta-H elimination.","Journal of the American Chemical Society","2006","128","44","14388","14396","10.1021/ja065249g","","","0.71073","MoKα","","0.0413","0.033","","","0.0783","0.083","","","","","","1.041","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4101407","11.516","0.0002","15.5247","0.0003","15.4937","0.0003","90","","97.595","0.001","90","","2745.7","0.09","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H51 Cl P2 Ru -","- C24 H51 Cl P2 Ru -","- C96 H204 Cl4 P8 Ru4 -","4","1","","Kuznetsov, Vladimir F; Abdur-Rashid, Kamaluddin; Lough, Alan J; Gusev, Dmitry G","Carbene vs olefin products of C-H activation on ruthenium via competing alpha- and beta-H elimination.","Journal of the American Chemical Society","2006","128","44","14388","14396","10.1021/ja065249g","","","0.71073","MoKα","","0.0431","0.0329","","","0.0773","0.0828","","","","","","1.049","","","","has coordinates,has disorder","209531","2020-10-21","18:00:00",""
"4101408","12.8009","0.0002","13.543","0.0002","15.061","0.0002","98.874","0.001","107.448","0.001","90.431","0.001","2457.05","0.06","150","1","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H43 Cl N2 P2 Ru -","- C19 H43 Cl N2 P2 Ru -","- C76 H172 Cl4 N8 P8 Ru4 -","4","2","","Kuznetsov, Vladimir F; Abdur-Rashid, Kamaluddin; Lough, Alan J; Gusev, Dmitry G","Carbene vs olefin products of C-H activation on ruthenium via competing alpha- and beta-H elimination.","Journal of the American Chemical Society","2006","128","44","14388","14396","10.1021/ja065249g","","","0.71073","MoKα","","0.0411","0.0338","","","0.0805","0.0847","","","","","","1.054","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4101409","12.075","0.004","19.235","0.006","18.72","0.006","90","","92.72","0.04","90","","4343","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 Ge12.5 N5 O30 -","- C13 Ge12.5 N5 O30 -","- C52 Ge50 N20 O120 -","4","1","","Christensen, Kirsten E; Shi, Lei; Conradsson, Tony; Ren, Tie-zhen; Dadachov, Mike S; Zou, Xiaodong","Design of open-framework germanates by combining different building units.","Journal of the American Chemical Society","2006","128","44","14238","14239","10.1021/ja065403z","","","0.71073","MoKα","","0.0951","0.0479","","","0.0816","0.0901","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101410","11.9831","0.0007","20.1886","0.0012","22.2361","0.0014","88.24","0.002","89.308","0.003","90.352","0.002","5376.4","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38.4 Ge53.9 N13.3 O142.6 -","- C38.66 Ge53.908 N13.44 O139.846 -","- C38.66 Ge53.908 N13.44 O139.846 -","1","0.5","","Christensen, Kirsten E; Shi, Lei; Conradsson, Tony; Ren, Tie-zhen; Dadachov, Mike S; Zou, Xiaodong","Design of open-framework germanates by combining different building units.","Journal of the American Chemical Society","2006","128","44","14238","14239","10.1021/ja065403z","","x-ray","0.907","synchrotron","","0.1093","0.0788","","","0.2153","0.2413","","","","","","1.05","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4101411","10.556","0.003","23.464","0.007","6.581","0.002","90","","90","","90","","1629.9","0.9","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H16 Br N O3 -","- C18 H16 Br N O3 -","- C72 H64 Br4 N4 O12 -","4","1","","Dong, Zhenzhen; Karpowicz, Jr, Richard J; Bai, Shi; Yap, Glenn P A; Fox, Joseph M","Control of absolute helicity in single-stranded abiotic metallofoldamers.","Journal of the American Chemical Society","2006","128","44","14242","14243","10.1021/ja065721y","","","0.71073","MoKα","","0.0378","0.0355","","","0.0865","0.0881","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101412","14.646","0.002","14.646","0.002","32.517","0.007","90","","90","","90","","6975","2","120","2","120","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C78 H90 N6 Ni O8 -","- C78 H90 N6 Ni O8 -","- C312 H360 N24 Ni4 O32 -","4","0.5","","Dong, Zhenzhen; Karpowicz, Jr, Richard J; Bai, Shi; Yap, Glenn P A; Fox, Joseph M","Control of absolute helicity in single-stranded abiotic metallofoldamers.","Journal of the American Chemical Society","2006","128","44","14242","14243","10.1021/ja065721y","","","0.71073","MoKα","","0.1106","0.0834","","","0.2229","0.2493","","","","","","1.028","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101413","14.755","0.002","14.755","0.002","32.076","0.006","90","","90","","90","","6983","1.9","120","2","120","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C80 H90 N6 Ni O12 -","- C80 H90 N6 Ni O12 -","- C320 H360 N24 Ni4 O48 -","4","0.5","","Dong, Zhenzhen; Karpowicz, Jr, Richard J; Bai, Shi; Yap, Glenn P A; Fox, Joseph M","Control of absolute helicity in single-stranded abiotic metallofoldamers.","Journal of the American Chemical Society","2006","128","44","14242","14243","10.1021/ja065721y","","","0.71073","MoKα","","0.0743","0.0564","","","0.1508","0.1796","","","","","","1.023","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101414","15.8737","","19.9906","","30.4654","","90","","90.2212","","90","","9667.35","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","?","- C144 Cr24 Cs8 O304 Si4 W48 -","- C144 Cr24 Cs8 O304 Si4 W48 -","","","","Jiang, Chunjie; Lesbani, Aldes; Kawamoto, Ryosuke; Uchida, Sayaka; Mizuno, Noritaka","Channel-selective independent sorption and collection of hydrophilic and hydrophobic molecules by Cs2[Cr3O(OOCC2H5)6(H2O)3]2[alpha-SiW12O40] ionic crystal.","Journal of the American Chemical Society","2006","128","44","14240","14241","10.1021/ja065732r","","","","","","","","","","","","","","","","","","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101415","13.0106","0.0009","13.7993","0.001","14.1006","0.001","73.977","0.001","78.881","0.001","63.853","0.001","2176.8","0.3","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H28 Cl4 F4 N4 O5 S2 -","- C45 H30 Cl4 F4 N4 O5 S2 -","- C90 H60 Cl8 F8 N8 O10 S4 -","2","1","","Nolan, Elizabeth M; Ryu, Jubin W; Jaworski, Jacek; Feazell, Rodney P; Sheng, Morgan; Lippard, Stephen J","Zinspy sensors with enhanced dynamic range for imaging neuronal cell zinc uptake and mobilization.","Journal of the American Chemical Society","2006","128","48","15517","15528","10.1021/ja065759a","","","0.71073","MoKα","","0.0597","0.0554","","","0.1457","0.1503","","","","","","1.008","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101416","10.8605","0.0008","13.0832","0.001","17.4505","0.0013","79.564","0.001","72.575","0.001","79.716","0.001","2306.1","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C81 H68 Cl2 F12 N8 O17 S8 Zn4 -","- C81 H68 Cl2 F12 N8 O17 S8 Zn4 -","- C81 H68 Cl2 F12 N8 O17 S8 Zn4 -","1","0.5","","Nolan, Elizabeth M; Ryu, Jubin W; Jaworski, Jacek; Feazell, Rodney P; Sheng, Morgan; Lippard, Stephen J","Zinspy sensors with enhanced dynamic range for imaging neuronal cell zinc uptake and mobilization.","Journal of the American Chemical Society","2006","128","48","15517","15528","10.1021/ja065759a","","","0.71073","MoKα","","0.0677","0.0547","","","0.1498","0.1597","","","","","","1.053","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101417","10.1101","0.0007","15.761","0.0011","13.0036","0.0009","90","","100.8","0.001","90","","2035.4","0.2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 B2 Cu2 F8.19 N4 O4 S2 -","- C38 H42 B2 Cu2 F8 N4 O4 S2 -","- C76 H84 B4 Cu4 F16 N8 O8 S4 -","2","0.5","","Nolan, Elizabeth M; Ryu, Jubin W; Jaworski, Jacek; Feazell, Rodney P; Sheng, Morgan; Lippard, Stephen J","Zinspy sensors with enhanced dynamic range for imaging neuronal cell zinc uptake and mobilization.","Journal of the American Chemical Society","2006","128","48","15517","15528","10.1021/ja065759a","","","0.71073","MoKα","","0.0436","0.0414","","","0.1112","0.1133","","","","","","1.054","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101418","10.4914","0.0014","12.8272","0.0017","13.8975","0.0018","76.451","0.002","80.45","0.002","87.137","0.002","1792.9","0.4","163","2","163","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H60 Lu2 -","- C40 H60 Lu2 -","- C80 H120 Lu4 -","2","1","","Evans, William J; Champagne, Timothy M; Ziller, Joseph W","Organolutetium vinyl and tuck-over complexes via C-H bond activation.","Journal of the American Chemical Society","2006","128","44","14270","14271","10.1021/ja065788l","","","0.71073","MoKα","","0.0325","0.0232","","","0.0587","0.0637","","","","","","1.049","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101419","8.606","0.004","9.714","0.004","16.544","0.007","83.991","0.007","89.722","0.007","73.047","0.007","1315.2","1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H43 Lu -","- C30 H43 Lu -","- C60 H86 Lu2 -","2","1","","Evans, William J; Champagne, Timothy M; Ziller, Joseph W","Organolutetium vinyl and tuck-over complexes via C-H bond activation.","Journal of the American Chemical Society","2006","128","44","14270","14271","10.1021/ja065788l","","","0.71073","MoKα","","0.0254","0.0237","","","0.0581","0.0591","","","","","","1.085","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101420","14.135","0.003","15.099","0.003","16.702","0.003","65.97","0.004","72.914","0.004","81.375","0.004","3110.2","1","163","2","163","2","","","","","","","","7","P -1","-P 1","2","1-dimesitylboron-8-trimethylammoniummethane-naphthalenediyl - triflate","","","- C33 H39 B F3 N O3 S -","- C33 H39 B F3 N O3 S -","- C132 H156 B4 F12 N4 O12 S4 -","4","2","","Chiu, Ching-Wen; Gabbaï, François P","Fluoride ion capture from water with a cationic borane.","Journal of the American Chemical Society","2006","128","44","14248","14249","10.1021/ja0658463","","","0.71073","MoKα","","0.1535","0.0765","","","0.1376","0.1544","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101421","8.4633","0.001","17.444","0.002","17.727","0.002","90","","90","","90","","2617","0.5","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1-dimesitylfluoroborate- 8-trimethylammoniummethane-naphthalenediyl","","","- C32 H39 B F N -","- C32 H39 B F N -","- C128 H156 B4 F4 N4 -","4","1","","Chiu, Ching-Wen; Gabbaï, François P","Fluoride ion capture from water with a cationic borane.","Journal of the American Chemical Society","2006","128","44","14248","14249","10.1021/ja0658463","","","0.71073","MoKα","","0.1049","0.0648","","","0.119","0.1292","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101422","16.908","0.003","10.789","0.002","18.933","0.004","90","","100.75","0.03","90","","3393.2","1.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H56 Ir N P2 -","- C31 H56 Ir N P2 -","- C124 H224 Ir4 N4 P8 -","4","1","","Ben-Ari, Eyal; Leitus, Gregory; Shimon, Linda J W; Milstein, David","Metal-ligand cooperation in C-H and H2 activation by an electron-rich PNP Ir(I) system: facile ligand dearomatization-aromatization as key steps.","Journal of the American Chemical Society","2006","128","48","15390","15391","10.1021/ja066411i","","","0.71073","MoKα","","0.0494","0.0362","","","0.0968","0.1023","","","","","","1.077","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101423","10.725","0.002","13.444","0.003","20.495","0.004","90","","103.22","0.03","90","","2876.8","1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H48 Ir N P2 -","- C29 H48 Ir N P2 -","- C116 H192 Ir4 N4 P8 -","4","1","","Ben-Ari, Eyal; Leitus, Gregory; Shimon, Linda J W; Milstein, David","Metal-ligand cooperation in C-H and H2 activation by an electron-rich PNP Ir(I) system: facile ligand dearomatization-aromatization as key steps.","Journal of the American Chemical Society","2006","128","48","15390","15391","10.1021/ja066411i","","","0.71073","MoKα","","0.0463","0.0388","","","0.1012","0.1065","","","","","","1.048","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101424","10.782","0.002","13.335","0.003","20.62","0.004","90","","103.4","0.03","90","","2884","1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H50 Ir N P2 -","- C29 H50 Ir N P2 -","- C116 H200 Ir4 N4 P8 -","4","1","","Ben-Ari, Eyal; Leitus, Gregory; Shimon, Linda J W; Milstein, David","Metal-ligand cooperation in C-H and H2 activation by an electron-rich PNP Ir(I) system: facile ligand dearomatization-aromatization as key steps.","Journal of the American Chemical Society","2006","128","48","15390","15391","10.1021/ja066411i","","","0.71073","MoKα","","0.0495","0.0371","","","0.0904","0.097","","","","","","1.033","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101425","16.9939","0.0004","18.6105","0.0004","20.5133","0.0004","90","","106.347","0.001","90","","6225.4","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62.65 H47.3 Au2 Cl5.3 F6 N2 O4 P2 -","- C62.65 H47.3 Au2 Cl5.3 F6 N2 O4 P2 -","- C250.6 H189.2 Au8 Cl21.2 F24 N8 O16 P8 -","4","1","","Wheaton, Craig A; Eisler, Dana J; Jennings, Michael C; Puddephatt, Richard J","Self-assembly of coordination polymers: evidence for dynamic exchange between oligomers in solution and the isolation of a homochiral decagold(I) oligomer.","Journal of the American Chemical Society","2006","128","48","15370","15371","10.1021/ja066450u","","","0.71073","MoKα","","0.0676","0.0517","","","0.1327","0.1425","","","","","","1.097","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101426","14.9319","0.0003","16.5595","0.0003","27.0293","0.0005","90","","90","","90","","6683.4","0.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H56 Au2 F6 N2 O7 P2 -","- C66 H56 Au2 F6 N2 O7 P2 -","- C264 H224 Au8 F24 N8 O28 P8 -","4","1","","Wheaton, Craig A; Eisler, Dana J; Jennings, Michael C; Puddephatt, Richard J","Self-assembly of coordination polymers: evidence for dynamic exchange between oligomers in solution and the isolation of a homochiral decagold(I) oligomer.","Journal of the American Chemical Society","2006","128","48","15370","15371","10.1021/ja066450u","","","0.71073","MoKα","","0.0922","0.0719","","","0.1748","0.1867","","","","","","1.029","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101427","36.405","0.005","36.405","0.005","49.917","0.01","90","","90","","120","","57294","16","150","2","150","2","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C319.5 H235 Au10 Cl15 F30 N12 O20 P10 -","- C292 H220 Au10 N12 P10 -","- C1752 H1320 Au60 N72 P60 -","6","1","","Wheaton, Craig A; Eisler, Dana J; Jennings, Michael C; Puddephatt, Richard J","Self-assembly of coordination polymers: evidence for dynamic exchange between oligomers in solution and the isolation of a homochiral decagold(I) oligomer.","Journal of the American Chemical Society","2006","128","48","15370","15371","10.1021/ja066450u","","","0.71073","MoKα","","0.1032","0.0808","","","0.2112","0.2271","","","","","","0.995","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101428","5.8906","0.001","12.736","0.002","19.54","0.004","90","","90","","90","","1466","0.4","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N O3 -","- C15 H18 Br N O3 -","- C60 H72 Br4 N4 O12 -","4","1","","Mattson, Anita E; Zuhl, Andrea M; Reynolds, Troy E; Scheidt, Karl A","Direct nucleophilic acylation of nitroalkenes promoted by a fluoride anion/thiourea combination.","Journal of the American Chemical Society","2006","128","15","4932","4933","10.1021/ja056565i","","","0.71073","MoKα","","0.0522","0.035","","","0.0767","0.0823","","","","","","0.965","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101429","35.223","0.003","11.1137","0.0009","25.776","0.002","90","","130.96","0.003","90","","7619.8","1.1","153","","153","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H94 Li2 O10 Sn2 -","- C86 H94 Li2 O10 Sn2 -","- C344 H376 Li8 O40 Sn8 -","4","0.5","","Haga, Ryuta; Saito, Masaichi; Yoshioka, Michikazu","Reversible redox behavior between stannole dianion and bistannole-1,2-dianion.","Journal of the American Chemical Society","2006","128","15","4934","4935","10.1021/ja057228c","","","0.71073","MoKα","","0.0545","0.038","","","0.0907","0.1089","","","","","","0.945","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101430","18.1536","0.0006","18.1536","0.0006","52.57","0.004","90","","90","","90","","17324.5","1.4","123","2","123","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","","","","- C117 H239 Cl3 Cu2 N8 O103 -","- C117 H201 Cl3 Cu2 N8 O103 -","- C468 H804 Cl12 Cu8 N32 O412 -","4","0.5","","Fu, Heng; Zhou, Ying-Hua; Chen, Wei-Lin; Deqing, Zhuo-Ga; Tong, Ming-Liang; Ji, Liang-Nian; Mao, Zong-Wan","Complexation, structure, and superoxide dismutase activity of the imidazolate-bridged dinuclear copper moiety with beta-cyclodextrin and its guanidinium-containing derivative.","Journal of the American Chemical Society","2006","128","15","4924","4925","10.1021/ja057717c","","","0.71073","MoKα","","0.2129","0.1479","","","0.3702","0.4194","","","","","","1.41","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101431","40.07","0.005","18.332","0.002","10.556","0.003","90","","90","","90","","7754","2","133","2","133","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C39 H59 Al N2 Si2 -","- C39 H59 Al N2 Si2 -","- C312 H472 Al8 N16 Si16 -","8","2","","Zhu, Hongping; Oswald, Rainer B; Fan, Hongjun; Roesky, Herbert W; Ma, Qingjun; Yang, Zhi; Schmidt, Hans-Georg; Noltemeyer, Mathias; Starke, Kerstin; Hosmane, Narayan S","Aluminacyclopropene: syntheses, characterization, and reactivity toward terminal alkynes.","Journal of the American Chemical Society","2006","128","15","5100","5108","10.1021/ja057731p","","","0.71073","MoKα","","0.1309","0.0493","","","0.0617","0.0768","","","","","","0.72","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101432","11.118","0.002","12.44","0.003","15.279","0.003","73.57","0.03","75.6","0.03","72.74","0.03","1904.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H53 Al N2 -","- C45 H53 Al N2 -","- C90 H106 Al2 N4 -","2","1","","Zhu, Hongping; Oswald, Rainer B; Fan, Hongjun; Roesky, Herbert W; Ma, Qingjun; Yang, Zhi; Schmidt, Hans-Georg; Noltemeyer, Mathias; Starke, Kerstin; Hosmane, Narayan S","Aluminacyclopropene: syntheses, characterization, and reactivity toward terminal alkynes.","Journal of the American Chemical Society","2006","128","15","5100","5108","10.1021/ja057731p","","","0.71073","MoKα","","0.0818","0.0736","","","0.1508","0.1549","","","","","","1.232","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101433","15.768","0.003","12.973","0.003","18.678","0.004","90","","98.39","0.03","90","","3779.8","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H53 Al N2 -","- C45 H53 Al N2 -","- C180 H212 Al4 N8 -","4","1","","Zhu, Hongping; Oswald, Rainer B; Fan, Hongjun; Roesky, Herbert W; Ma, Qingjun; Yang, Zhi; Schmidt, Hans-Georg; Noltemeyer, Mathias; Starke, Kerstin; Hosmane, Narayan S","Aluminacyclopropene: syntheses, characterization, and reactivity toward terminal alkynes.","Journal of the American Chemical Society","2006","128","15","5100","5108","10.1021/ja057731p","","","1.54178","CuKα","","0.0415","0.0328","","","0.0766","0.0814","","","","","","1.016","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101434","14.641","0.003","19.674","0.004","16.162","0.003","90","","99.78","0.03","90","","4587.7","1.6","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H64 Al N2 -","- C54 H64 Al N2 -","- C216 H256 Al4 N8 -","4","1","","Zhu, Hongping; Oswald, Rainer B; Fan, Hongjun; Roesky, Herbert W; Ma, Qingjun; Yang, Zhi; Schmidt, Hans-Georg; Noltemeyer, Mathias; Starke, Kerstin; Hosmane, Narayan S","Aluminacyclopropene: syntheses, characterization, and reactivity toward terminal alkynes.","Journal of the American Chemical Society","2006","128","15","5100","5108","10.1021/ja057731p","","","0.71073","MoKα","","0.0671","0.043","","","0.102","0.11","","","","","","0.986","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101435","16.879","0.003","12.292","0.003","17.093","0.003","90","","105.37","0.03","90","","3419.6","1.2","253","2","253","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Na7 O36 Ru4 -","- C12 Na7 O36 Ru4 -","- C48 Na28 O144 Ru16 -","4","0.5","","Wong, Ella Lai-Ming; Sun, Raymond Wai-Yin; Chung, Nancy P-Y; Lin, Chen-Lung Steve; Zhu, Nianyong; Che, Chi-Ming","A mixed-valent ruthenium-oxo oxalato cluster Na7[Ru4(mu3-O)4(C2O4)6] with potent anti-HIV activities.","Journal of the American Chemical Society","2006","128","15","4938","4939","10.1021/ja057883k","","","0.71073","MoKα","","0.0338","0.0303","","","0.0941","0.0959","","","","","","1.137","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101436","18.78","0.004","14.609","0.003","12.213","0.002","90","","114.08","0.03","90","","3059.1","1.1","253","2","253","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H7 Na3 O15.5 Ru -","- C6 Na3 O15.5 Ru -","- C48 Na24 O124 Ru8 -","8","1","","Wong, Ella Lai-Ming; Sun, Raymond Wai-Yin; Chung, Nancy P-Y; Lin, Chen-Lung Steve; Zhu, Nianyong; Che, Chi-Ming","A mixed-valent ruthenium-oxo oxalato cluster Na7[Ru4(mu3-O)4(C2O4)6] with potent anti-HIV activities.","Journal of the American Chemical Society","2006","128","15","4938","4939","10.1021/ja057883k","","","0.71073","MoKα","","0.0624","0.0517","","","0.1531","0.1581","","","","","","1.16","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101437","13.6546","0.001","12.7382","0.0009","19.7605","0.0014","90","","90","","90","","3437","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C160 H200 N8 O24 -","8","1","","Ma, Shengming; Gu, Zhenhua","Sequential rearrangement of 1,2,4Z,7-tetraenes involving [1,5]-hydrogen migration and electrocyclization: an efficient synthesis of eight-membered cyclic compounds.","Journal of the American Chemical Society","2006","128","15","4942","4943","10.1021/ja057985a","","","0.71073","MoKα","","0.0727","0.0548","","","0.136","0.1464","","","","","","0.986","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101438","6.7357","0.0008","19.494","0.002","11.5301","0.0014","90","","101.969","0.002","90","","1481.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Ma, Shengming; Gu, Zhenhua","Sequential rearrangement of 1,2,4Z,7-tetraenes involving [1,5]-hydrogen migration and electrocyclization: an efficient synthesis of eight-membered cyclic compounds.","Journal of the American Chemical Society","2006","128","15","4942","4943","10.1021/ja057985a","","","0.71073","MoKα","","0.0894","0.0586","","","0.1363","0.1517","","","","","","0.939","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101439","20.526","0.002","8.1237","0.0007","25.516","0.002","90","","90","","90","","4254.7","0.6","100","1","100","1","","","","","","","see text","2","P c a 21","P 2c -2ac","29","","","","- C32 H22 -","- C32 H22 -","- C256 H176 -","8","2","","Vicario, Javier; Walko, Martin; Meetsma, Auke; Feringa, Ben L","Fine tuning of the rotary motion by structural modification in light-driven unidirectional molecular motors.","Journal of the American Chemical Society","2006","128","15","5127","5135","10.1021/ja058303m","","","0.71073","MoKα","","0.069","0.0533","","","0.1239","0.1322","","","","","","1.023","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101440","23.32","0.005","8.89","0.002","10.399","0.002","90","","90","","90","","2155.9","0.8","100","1","100","1","","","","","","","see text","2","P c a 21","P 2c -2ac","29","","","","- C30 H26 -","- C30 H26 -","- C120 H104 -","4","1","","Vicario, Javier; Walko, Martin; Meetsma, Auke; Feringa, Ben L","Fine tuning of the rotary motion by structural modification in light-driven unidirectional molecular motors.","Journal of the American Chemical Society","2006","128","15","5127","5135","10.1021/ja058303m","","","0.71073","MoKα","","0.1028","0.0579","","","0.1216","0.1345","","","","","","0.977","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101441","18.56","0.004","5.8676","0.0011","15.887","0.003","90","","98.155","0.004","90","","1712.6","0.6","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H21 Br O3 -","- C18 H21 Br O3 -","- C72 H84 Br4 O12 -","4","1","","Lee, Ai-Lan; Malcolmson, Steven J; Puglisi, Alessandra; Schrock, Richard R; Hoveyda, Amir H","Enantioselective synthesis of cyclic enol ethers and all-carbon quaternary stereogenic centers through catalytic asymmetric ring-closing metathesis.","Journal of the American Chemical Society","2006","128","15","5153","5157","10.1021/ja058428r","","","0.71073","MoKα","","0.0979","0.0697","","","0.0856","0.0929","","","","","","1.124","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101442","13.62","0.004","13.81","0.004","14.056","0.004","90","","95.534","0.005","90","","2631.3","1.2","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 Ge O2 -","- C28 H42 Ge O2 -","- C112 H168 Ge4 O8 -","4","1","","Gerung, Henry; Boyle, Timothy J; Tribby, Louis J; Bunge, Scott D; Brinker, C Jeffrey; Han, Sang M","Solution synthesis of germanium nanowires using a Ge2+ alkoxide precursor.","Journal of the American Chemical Society","2006","128","15","5244","5250","10.1021/ja058524s","","","0.71073","MoKα","","0.0954","0.0616","","","0.1392","0.1586","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101443","12.6576","0.0009","14.0938","0.001","26.0706","0.0018","90","","90","","90","","4650.8","0.6","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H78 O6 Si2 -","- C43 H78 O6 Si2 -","- C172 H312 O24 Si8 -","4","1","","Smith, 3rd, Amos B; Mesaros, Eugen F; Meyer, Emmanuel A","Evolution of a total synthesis of (-)-kendomycin exploiting a Petasis-Ferrier rearrangement/ring-closing olefin metathesis strategy.","Journal of the American Chemical Society","2006","128","15","5292","5299","10.1021/ja060369+","","","0.71069","MoKα","","0.0477","0.0415","","","0.088","0.092","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101444","8.1245","0.0009","18.086","0.002","24.834","0.003","90","","90","","90","","3649","0.7","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H58 O6 Si -","- C36 H58 O6 Si -","- C144 H232 O24 Si4 -","4","1","","Smith, 3rd, Amos B; Mesaros, Eugen F; Meyer, Emmanuel A","Evolution of a total synthesis of (-)-kendomycin exploiting a Petasis-Ferrier rearrangement/ring-closing olefin metathesis strategy.","Journal of the American Chemical Society","2006","128","15","5292","5299","10.1021/ja060369+","","","0.71069","MoKα","","0.0987","0.0641","","","0.1495","0.1728","","","","","","0.946","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101445","10.343","0.0004","10.5536","0.0004","14.0707","0.0005","87.428","0.002","83.364","0.002","73.736","0.001","1464.43","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H96 B2 Cl2 Fe2 N4 P2 -","- C54 H96 B2 Cl2 Fe2 N4 P4 -","- C54 H96 B2 Cl2 Fe2 N4 P4 -","1","0.5","","Thomas, Christine M; Mankad, Neal P; Peters, Jonas C","Characterization of the terminal iron(IV) imides [[PhBP(t)(Bu)2(pz')]Fe(IV)NAd]+.","Journal of the American Chemical Society","2006","128","15","4956","4957","10.1021/ja0604358","","","0.71073","MoKα","","0.0989","0.0494","","","0.0817","0.0905","","","","","","1.157","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101446","10.8828","0.0009","20.2565","0.0017","33.573","0.003","90","","94.412","0.002","90","","7379.1","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H63 B Fe N3 P2 -","- C37 H63 B Fe N3 P2 -","- C296 H504 B8 Fe8 N24 P16 -","8","2","","Thomas, Christine M; Mankad, Neal P; Peters, Jonas C","Characterization of the terminal iron(IV) imides [[PhBP(t)(Bu)2(pz')]Fe(IV)NAd]+.","Journal of the American Chemical Society","2006","128","15","4956","4957","10.1021/ja0604358","","","0.71073","MoKα","","0.1493","0.0818","","","0.1083","0.1159","","","","","","1.763","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101447","10.8828","0.0009","20.2565","0.0017","33.573","0.003","90","","94.412","0.002","90","","7379.1","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42.75 H36.75 B0.75 Fe0.75 N2.25 P1.5 -","- C37 H63 B Fe N3 P2 -","- C296 H504 B8 Fe8 N24 P16 -","8","2","","Thomas, Christine M; Mankad, Neal P; Peters, Jonas C","Characterization of the terminal iron(IV) imides [[PhBP(t)(Bu)2(pz')]Fe(IV)NAd]+.","Journal of the American Chemical Society","2006","128","15","4956","4957","10.1021/ja0604358","","","0.71073","MoKα","","0.1539","0.0893","","","0.1237","0.1301","","","","","","1.897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101448","10.886","0.004","17.39","0.005","21.104","0.006","83.777","0.011","75.874","0.007","85.19","0.008","3845","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H65 B Fe N3 P2 -","- C39 H67 B Fe N3 P2 -","- C156 H268 B4 Fe4 N12 P8 -","4","2","","Thomas, Christine M; Mankad, Neal P; Peters, Jonas C","Characterization of the terminal iron(IV) imides [[PhBP(t)(Bu)2(pz')]Fe(IV)NAd]+.","Journal of the American Chemical Society","2006","128","15","4956","4957","10.1021/ja0604358","","","0.71073","MoKα","","0.1739","0.0885","","","0.1504","0.1655","","","","","","1.252","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101449","12.2246","0.0019","27.556","0.004","12.862","0.002","90","","102.822","0.004","90","","4224.7","1.1","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C81 H121 B F24 Fe N3 O3 P2 -","- C81 H99 B2 F24 Fe N3 O3 P2 -","- C162 H198 B4 F48 Fe2 N6 O6 P4 -","2","1","","Thomas, Christine M; Mankad, Neal P; Peters, Jonas C","Characterization of the terminal iron(IV) imides [[PhBP(t)(Bu)2(pz')]Fe(IV)NAd]+.","Journal of the American Chemical Society","2006","128","15","4956","4957","10.1021/ja0604358","","","0.71073","MoKα","","0.2941","0.1237","","","0.1716","0.1972","","","","","","1.38","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101450","19.438","0.017","18.86","0.02","22.418","0.017","90","","99.66","0.05","90","","8104","14","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C79 H93 B2 F24 Fe N3 O2 P2 -","- C52.6667 H63.3333 B1.33333 F16 Fe0.666667 N2 O1.33333 P1.33333 -","- C316 H380 B8 F96 Fe4 N12 O8 P8 -","6","1.5","","Thomas, Christine M; Mankad, Neal P; Peters, Jonas C","Characterization of the terminal iron(IV) imides [[PhBP(t)(Bu)2(pz')]Fe(IV)NAd]+.","Journal of the American Chemical Society","2006","128","15","4956","4957","10.1021/ja0604358","","","0.71073","MoKα","","0.1563","0.0607","","","0.0871","0.0996","","","","","","1.216","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101451","17.1638","0.001","12.4968","0.0008","30.4408","0.0018","90","","90","","90","","6529.3","0.7","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C11 H21 B11 -","- C11 H21 B11 -","- C176 H336 B176 -","16","4","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1593","0.0663","","","0.1545","0.1917","","","","","","0.96","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101452","29.9835","0.0015","6.9576","0.0003","14.8049","0.0007","90","","90","","90","","3088.5","0.3","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C10 H19 B11 -","- C10 H19 B11 -","- C80 H152 B88 -","8","2","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1289","0.0601","","","0.1353","0.1738","","","","","","0.994","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101453","13.549","0.012","10.789","0.009","12.519","0.011","90","","90","","90","","1830","3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C11 H29 B11 -","- C11 H23 B11 -","- C44 H92 B44 -","4","0.5","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1005","0.0917","","","0.311","0.3372","","","","","","1.61","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101454","12.4353","0.0019","17.434","0.003","17.516","0.003","90","","90","","90","","3797.3","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H11 B11 Br6 -","- C5 H11 B11 Br6 -","- C40 H88 B88 Br48 -","8","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1172","0.0624","","","0.1562","0.205","","","","","","1.017","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101455","26.847","0.002","11.2688","0.0009","22.1902","0.0018","90","","90","","90","","6713.4","0.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C42 H106 B22 Li4 O12 -","- C42 H106 B22 Li4 O12 -","- C168 H424 B88 Li16 O48 -","4","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1813","0.0901","","","0.2218","0.2962","","","","","","0.994","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101456","15.322","0.005","11.64","0.004","20.559","0.007","90","","96.728","0.007","90","","3641","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H53 B11 Na2 O4 -","- C27 H53 B11 Na2 O4 -","- C108 H212 B44 Na8 O16 -","4","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1678","0.0881","","","0.2452","0.3317","","","","","","1.019","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101457","11.7337","0.0006","24.0688","0.0011","24.6327","0.0012","90","","90","","90","","6956.7","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H51 B11 Na2 O4 -","- C26 H51 B11 Na2 O4 -","- C208 H408 B88 Na16 O32 -","8","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1629","0.0804","","","0.2211","0.2975","","","","","","1.062","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4101458","10.6621","0.0008","28.285","0.002","12.8219","0.0009","90","","100.73","0.002","90","","3799.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H53 B11 Na2 O5 -","- C28 H53 B11 Na2 O5 -","- C112 H212 B44 Na8 O20 -","4","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1694","0.0978","","","0.2739","0.3336","","","","","","1.04","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101459","9.8243","0.0008","19.2794","0.0015","18.2812","0.0015","90","","92.967","0.001","90","","3457.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H57 B11 Ca O5 -","- C25 H57 B11 Ca O5 -","- C100 H228 B44 Ca4 O20 -","4","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1078","0.0584","","","0.1503","0.1783","","","","","","1.023","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101460","11.0023","0.001","11.6631","0.001","20.3879","0.0018","81.851","0.001","77.994","0.001","68.843","0.001","2380.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H65 B11 Ni O3 P2 -","- C43 H65 B11 Ni O3 P2 -","- C86 H130 B22 Ni2 O6 P4 -","2","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.0991","0.0638","","","0.1751","0.194","","","","","","1.012","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101461","10.9613","0.0017","11.7026","0.0019","20.509","0.003","82.866","0.004","80.038","0.004","67.554","0.004","2389.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H63 B11 Ni O3 P2 -","- C43 H63 B11 Ni O3 P2 -","- C86 H126 B22 Ni2 O6 P4 -","2","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1585","0.0791","","","0.2031","0.264","","","","","","1.019","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101462","33.299","0.005","8.7863","0.001","35.011","0.004","90","","113.836","0.006","90","","9370","2","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C53 H48 O4 -","- C58.5 H48 O4 -","- C468 H384 O32 -","8","1","","Menger, Fredric M; Sorrells, Jennifer L","A non-steroidal facial amphiphile.","Journal of the American Chemical Society","2006","128","15","4960","4961","10.1021/ja0608747","","","1.54178","CuKα","","0.2323","0.1234","","","0.3111","0.3813","","","","","","1.008","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101463","16.2233","0.0002","13.7836","0.0003","20.1744","0.0004","90","","91.207","0.001","90","","4510.31","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H84 Cl2 P2 Pd -","- C41.992 H84 Cl2 P2 Pd -","- C167.968 H336 Cl8 P8 Pd4 -","4","1","","Nawara, Agnieszka J; Shima, Takanori; Hampel, Frank; Gladysz, J A","Gyroscope-like molecules consisting of PdX2/PtX2 rotators encased in three-spoke stators: synthesis via alkene metathesis, and facile substitution and demetalation.","Journal of the American Chemical Society","2006","128","15","4962","4963","10.1021/ja061044w","","","0.71073","MoKα","","0.0646","0.0344","","","0.0732","0.0823","","","","","","0.963","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101464","11.9863","0.0002","16.467","0.0003","16.9113","0.0002","67.387","0.001","72.547","0.001","79.382","0.001","2930.44","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H106 P2 Pt -","- C58.992 H106 P2 Pt -","- C117.984 H212 P4 Pt2 -","2","1","","Nawara, Agnieszka J; Shima, Takanori; Hampel, Frank; Gladysz, J A","Gyroscope-like molecules consisting of PdX2/PtX2 rotators encased in three-spoke stators: synthesis via alkene metathesis, and facile substitution and demetalation.","Journal of the American Chemical Society","2006","128","15","4962","4963","10.1021/ja061044w","","","0.71073","MoKα","","0.0365","0.0293","","","0.0748","0.0792","","","","","","1.018","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101465","11.2376","0.0014","11.682","0.0015","13.9798","0.0017","106.609","0.002","107.792","0.002","97.506","0.002","1626.1","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","05130b","","","- C33 H36 Br F3 O7 -","- C33 H36 Br F3 O7 -","- C66 H72 Br2 F6 O14 -","2","1","","Kurdyumov, Aleksey V; Hsung, Richard P","An unusual cationic [2 + 2] cycloaddition in a divergent total synthesis of hongoquercin A and rhododaurichromanic acid A.","Journal of the American Chemical Society","2006","128","19","6272","6273","10.1021/ja054872i","","","0.71073","MoKα","","0.0652","0.0445","","","0.1085","0.1198","","","","","","1.021","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101466","9.3825","0.0004","11.4433","0.0004","11.5409","0.0005","98.579","0.001","96.178","0.001","94.445","0.001","1212.6","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H58 Cl8 P2 Pd2 -","- C44 H58 Cl8 P2 Pd2 -","- C44 H58 Cl8 P2 Pd2 -","1","0.5","","Christmann, Ute; Pantazis, Dimitrios A; Benet-Buchholz, Jordi; McGrady, John E; Maseras, Feliu; Vilar, Ramón","Experimental and theoretical investigations of new dinuclear palladium complexes as precatalysts for the amination of aryl chlorides.","Journal of the American Chemical Society","2006","128","19","6376","6390","10.1021/ja057825z","","","0.71073","MoKα","","0.0342","0.0301","","","0.0719","0.0739","","","","","","1.056","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101467","18.9087","0.0017","11.3204","0.0011","11.4261","0.001","90","","109.683","0.002","90","","2302.9","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H32 Cl2 N P Pd2 -","- C22 H32 Cl2 N P Pd2 -","- C88 H128 Cl8 N4 P4 Pd8 -","4","1","","Christmann, Ute; Pantazis, Dimitrios A; Benet-Buchholz, Jordi; McGrady, John E; Maseras, Feliu; Vilar, Ramón","Experimental and theoretical investigations of new dinuclear palladium complexes as precatalysts for the amination of aryl chlorides.","Journal of the American Chemical Society","2006","128","19","6376","6390","10.1021/ja057825z","","","0.71073","MoKα","","0.0356","0.0333","","","0.0801","0.0827","","","","","","1.121","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101468","18.8461","0.0006","12.1995","0.0004","9.7818","0.0003","90","","90","","90","","2248.96","0.12","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H31 Br2 N P Pd -","- C22 H31 Br2 N P Pd -","- C88 H124 Br8 N4 P4 Pd4 -","4","0.5","","Christmann, Ute; Pantazis, Dimitrios A; Benet-Buchholz, Jordi; McGrady, John E; Maseras, Feliu; Vilar, Ramón","Experimental and theoretical investigations of new dinuclear palladium complexes as precatalysts for the amination of aryl chlorides.","Journal of the American Chemical Society","2006","128","19","6376","6390","10.1021/ja057825z","","","0.71073","MoKα","","0.0505","0.0386","","","0.0955","0.1011","","","","","","1.028","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101469","8.2553","0.0007","12.2943","0.001","16.4607","0.0014","102.663","0.002","103.627","0.002","91.036","0.002","1579.8","0.2","273","2","228","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H36 N4 O6 -","- C35 H36 N4 O6 -","- C70 H72 N8 O12 -","2","1","","Tamaoki, Nobuyuki; Wada, Momoyo","Dynamic control of racemization rate through E-Z photoisomerization of azobenzene and subsequent partial photoresolution under circular polarized light.","Journal of the American Chemical Society","2006","128","19","6284","6285","10.1021/ja058398s","","","0.71073","MoKα","","0.0522","0.0429","","","0.1186","0.1282","","","","","","0.952","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101470","10.1518","0.0008","16.2374","0.0013","21.7024","0.0017","90","","90.229","0.001","90","","3577.4","0.5","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H44 N4 O8 -","- C39 H44 N4 O8 -","- C156 H176 N16 O32 -","4","1","","Tamaoki, Nobuyuki; Wada, Momoyo","Dynamic control of racemization rate through E-Z photoisomerization of azobenzene and subsequent partial photoresolution under circular polarized light.","Journal of the American Chemical Society","2006","128","19","6284","6285","10.1021/ja058398s","","","0.71073","MoKα","","0.0504","0.0433","","","0.1174","0.1242","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101471","11.7081","0.0019","11.9876","0.0019","11.9931","0.0019","67.339","0.002","76.286","0.003","75.921","0.003","1487.2","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H36 N4 O6 -","- C35 H36 N4 O6 -","- C70 H72 N8 O12 -","2","1","","Tamaoki, Nobuyuki; Wada, Momoyo","Dynamic control of racemization rate through E-Z photoisomerization of azobenzene and subsequent partial photoresolution under circular polarized light.","Journal of the American Chemical Society","2006","128","19","6284","6285","10.1021/ja058398s","","","0.71073","MoKα","","0.0754","0.0593","","","0.1515","0.1606","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101472","10.3665","0.0009","32.825","0.003","11.868","0.001","90","","101.224","0.002","90","","3961.1","0.6","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 N4 O9 -","- C43 H52 N4 O9 -","- C172 H208 N16 O36 -","4","1","","Tamaoki, Nobuyuki; Wada, Momoyo","Dynamic control of racemization rate through E-Z photoisomerization of azobenzene and subsequent partial photoresolution under circular polarized light.","Journal of the American Chemical Society","2006","128","19","6284","6285","10.1021/ja058398s","","","0.71073","MoKα","","0.0647","0.0476","","","0.1168","0.1272","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101473","6.5195","0.0005","14.0366","0.0011","19.108","0.0014","107.401","0.001","99.129","0.001","98.266","0.001","1613.2","0.2","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","2","","Wender, Paul A; Haustedt, Lars O; Lim, Jaehong; Love, Jennifer A; Williams, Travis J; Yoon, Joo-Yong","Asymmetric catalysis of the [5 + 2] cycloaddition reaction of vinylcyclopropanes and pi-systems.","Journal of the American Chemical Society","2006","128","19","6302","6303","10.1021/ja058590u","","","0.71073","MoKα","","0.071","0.0464","","","0.1147","0.1216","","","","","","0.931","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101474","11.0127","0.0008","16.387","0.0008","18.7355","0.0011","99.521","0.001","106.034","0.001","102.488","0.001","3080","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Sc3N@N-trityl-3,4-fullero[C80]pyrrolidine, 2.25CS2, 0.75benzene solvate","","","- C107.75 H23.5 N2 S4.5 Sc3 -","- C107.75 H23.5 N2 S4.5 Sc3 -","- C215.5 H47 N4 S9 Sc6 -","2","1","","Cai, Ting; Slebodnick, Carla; Xu, Liaosa; Harich, Kim; Glass, Thomas E; Chancellor, Christopher; Fettinger, James C; Olmstead, Marilyn M; Balch, Alan L; Gibson, Harry W; Dorn, Harry C","A pirouette on a metallofullerene sphere: interconversion of isomers of N-tritylpyrrolidino I(h) Sc3N@C80.","Journal of the American Chemical Society","2006","128","19","6486","6492","10.1021/ja0601843","","","0.71073","MoKα","","0.1408","0.0987","","","0.2809","0.305","","","","","","1.104","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101475","11.0242","0.0011","16.5046","0.0018","18.8995","0.0019","74.045","0.002","77.655","0.003","76.84","0.002","3177.2","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Sc3N@N-trityl-3,4-fullero[C80]pyrrolidine","","","- C115.65 H36.1 N2 Sc3 -","- C115.65 H36.1 N2 Sc3 -","- C231.3 H72.2 N4 Sc6 -","2","1","","Cai, Ting; Slebodnick, Carla; Xu, Liaosa; Harich, Kim; Glass, Thomas E; Chancellor, Christopher; Fettinger, James C; Olmstead, Marilyn M; Balch, Alan L; Gibson, Harry W; Dorn, Harry C","A pirouette on a metallofullerene sphere: interconversion of isomers of N-tritylpyrrolidino I(h) Sc3N@C80.","Journal of the American Chemical Society","2006","128","19","6486","6492","10.1021/ja0601843","","","0.71073","MoKα","","0.0817","0.0547","","","0.139","0.1559","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101476","23.443","0.007","5.6718","0.0016","7.288","0.002","90","","90","","90","","969","0.5","93","2","93","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C12 H28 I3 N4 Pt -","- C12 H28 I3 N4 Pt -","- C24 H56 I6 N8 Pt2 -","2","0.25","","Takaishi, Shinya; Kawakami, Daisuke; Yamashita, Masahiro; Sasaki, Mari; Kajiwara, Takashi; Miyasaka, Hitoshi; Sugiura, Ken-Ichi; Wakabayashi, Yusuke; Sawa, Hiroshi; Matsuzaki, Hiroyuki; Kishida, Hideo; Okamoto, Hiroshi; Watanabe, Harutaka; Tanaka, Hisaaki; Marumoto, Kazuhiro; Ito, Hiroshi; Kuroda, Shin-Ichi","Dynamical valence fluctuation at the charge-density-wave phase boundary in iodide-bridged Pt compound [Pt(chxn)2I]I2.","Journal of the American Chemical Society","2006","128","19","6420","6425","10.1021/ja060193b","","","0.7107","MoKα","","0.0243","0.0219","","","0.0435","0.0454","","","","","","1.201","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101477","10.2537","0.0003","12.326","0.0005","14.6483","0.0007","84.445","0.003","81.887","0.002","72.518","0.003","1745.27","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H56 Si4 Zr -","- C30 H56 Si4 Zr -","- C60 H112 Si8 Zr2 -","2","1","","Bradley, Christopher A; Lobkovsky, Emil; Keresztes, Ivan; Chirik, Paul J","Synthesis of bis(indenyl)zirconium dihydrides and subsequent rearrangement to eta5,eta3-4,5-dihydroindenediyl ligands: evidence for intermediates during the hydrogenation to tetrahydroindenyl derivatives.","Journal of the American Chemical Society","2006","128","19","6454","6467","10.1021/ja060472z","","","0.71073","MoKα","","0.054","0.0431","","","0.0944","0.0988","","","","","","1.081","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101478","10.9586","0.0006","13.292","0.0006","17.4629","0.0009","90","","99.763","0.002","90","","2506.8","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Zr -","- C30 H40 Zr -","- C120 H160 Zr4 -","4","1","","Bradley, Christopher A; Lobkovsky, Emil; Keresztes, Ivan; Chirik, Paul J","Synthesis of bis(indenyl)zirconium dihydrides and subsequent rearrangement to eta5,eta3-4,5-dihydroindenediyl ligands: evidence for intermediates during the hydrogenation to tetrahydroindenyl derivatives.","Journal of the American Chemical Society","2006","128","19","6454","6467","10.1021/ja060472z","","","0.71073","MoKα","","0.0522","0.0333","","","0.0788","0.0845","","","","","","1.047","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101479","16.1719","0.0007","9.563","0.0004","17.0533","0.0006","90","","93.25","0.001","90","","2633.08","0.18","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 Zr0.5 -","- C15 H20 Zr0.5 -","- C120 H160 Zr4 -","8","1","","Bradley, Christopher A; Lobkovsky, Emil; Keresztes, Ivan; Chirik, Paul J","Synthesis of bis(indenyl)zirconium dihydrides and subsequent rearrangement to eta5,eta3-4,5-dihydroindenediyl ligands: evidence for intermediates during the hydrogenation to tetrahydroindenyl derivatives.","Journal of the American Chemical Society","2006","128","19","6454","6467","10.1021/ja060472z","","","0.71073","MoKα","","0.0376","0.0285","","","0.0674","0.0701","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101480","10.8829","0.0012","13.5285","0.0015","17.1963","0.0019","90","","100.158","0.006","90","","2492.1","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Zr -","- C30 H40 Zr -","- C120 H160 Zr4 -","4","1","","Bradley, Christopher A; Lobkovsky, Emil; Keresztes, Ivan; Chirik, Paul J","Synthesis of bis(indenyl)zirconium dihydrides and subsequent rearrangement to eta5,eta3-4,5-dihydroindenediyl ligands: evidence for intermediates during the hydrogenation to tetrahydroindenyl derivatives.","Journal of the American Chemical Society","2006","128","19","6454","6467","10.1021/ja060472z","","","0.71073","MoKα","","0.0501","0.0304","","","0.0758","0.0817","","","","","","1.046","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101481","8.7756","0.0001","13.9797","0.0002","12.4209","0.0001","90","","95.397","0.001","90","","1517.04","0.03","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Cl N Pd -","- C15 H22 Cl N Pd -","- C60 H88 Cl4 N4 Pd4 -","4","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","1.54178","CuKα","","0.0288","0.028","","","0.0735","0.0742","","","","","","1.043","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101482","8.1918","0.0013","10.394","0.0016","14.768","0.002","83.97","0.003","76.233","0.003","69.495","0.003","1143.6","0.3","125","2","125","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C26 H28 Cl N2 Pd -","- C26 H28 Cl N2 Pd -","- C52 H56 Cl2 N4 Pd2 -","2","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","0.71073","MoKα","","0.0467","0.037","","","0.0951","0.1034","","","","","","1.053","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101483","13.2654","0.0002","13.3187","0.0002","19.3102","0.0004","90","","90","","90","","3411.69","0.1","125","2","125","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 Cl N2 Pd -","- C19 H17 Cl N2 Pd -","- C152 H136 Cl8 N16 Pd8 -","8","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","1.54178","CuKα","","0.0622","0.0471","","","0.128","0.1362","","","","","","0.982","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101484","10.3658","0.0001","12.3444","0.0001","14.4307","0.0002","91.696","0.001","109.563","0.001","100.612","0.001","1701.87","0.03","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C34 H49 Cl N P Pd -","- C34 H49 Cl N P Pd -","- C68 H98 Cl2 N2 P2 Pd2 -","2","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","1.54178","CuKα","","0.0524","0.0478","","","0.1459","0.1688","","","","","","1.139","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101485","17.481","0.003","16.598","0.003","17.74","0.003","90","","109.518","0.007","90","","4851.6","1.3","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H79 Cl P2 Pd2 -","- C54 H79 Cl P2 Pd2 -","- C216 H316 Cl4 P8 Pd8 -","4","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","1.54178","CuKα","","0.09","0.0549","","","0.1253","0.1386","","","","","","0.976","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101486","13.8689","0.0003","14.2117","0.0003","19.1372","0.0006","90","","104.345","0.002","90","","3654.35","0.16","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","C 1 c 1","C -2yc","9","","","","- C45 H37 Cl P2 Pd2 -","- C45 H37 Cl P2 Pd2 -","- C180 H148 Cl4 P8 Pd8 -","4","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","1.54178","CuKα","","0.0541","0.0535","","","0.1369","0.1375","","","","","","1.041","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101487","17.0179","0.0002","9.4258","0.0001","18.1497","0.0003","90","","115.208","0.001","90","","2634.09","0.06","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 Cl2 N P Pd -","- C25 H42 Cl2 N P Pd -","- C100 H168 Cl8 N4 P4 Pd4 -","4","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","1.54178","CuKα","","0.0324","0.0308","","","0.0798","0.0811","","","","","","1.039","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101488","27.95","0.005","23.526","0.004","28.457","0.005","90","","112.113","0.003","90","","17336","5","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 N3 Ni O4 Rh S2 -","- C16 H28 N3 Ni O4 Rh S2 -","- C512 H896 N96 Ni32 O128 Rh32 S64 -","32","4","","Green, Kayla N; Jeffery, Stephen P; Reibenspies, Joseph H; Darensbourg, Marcetta Y","A nickel tripeptide as a metallodithiolate ligand anchor for resin-bound organometallics.","Journal of the American Chemical Society","2006","128","19","6493","6498","10.1021/ja060876r","","","0.71073","MoKα","","0.0722","0.0551","","","0.1273","0.1435","","","","","","1.091","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101489","9.991","0.002","11.55","0.003","16.844","0.004","90","","90","","90","","1943.7","0.8","110","2","110","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 F6 N2 Ni O2 Rh S3 -","- C12 H20 F6 N2 Ni O2 Rh S3 -","- C48 H80 F24 N8 Ni4 O8 Rh4 S12 -","4","1","","Green, Kayla N; Jeffery, Stephen P; Reibenspies, Joseph H; Darensbourg, Marcetta Y","A nickel tripeptide as a metallodithiolate ligand anchor for resin-bound organometallics.","Journal of the American Chemical Society","2006","128","19","6493","6498","10.1021/ja060876r","","","0.71073","MoKα","","0.0233","0.023","","","0.0546","0.0548","","","","","","1.068","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101490","12.1805","0.0016","12.6262","0.0018","15.275","0.002","90.928","0.002","99.04","0.002","97.883","0.003","2296.4","0.6","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H68 Lu N3 Si3 -","- C39 Lu N3 Si3 -","- C78 Lu2 N6 Si6 -","2","1","","Jantunen, Kimberly C; Scott, Brian L; Hay, P Jeffrey; Gordon, John C; Kiplinger, Jaqueline L","Dearomatization and functionalization of terpyridine by lutetium(III) alkyl complexes.","Journal of the American Chemical Society","2006","128","19","6322","6323","10.1021/ja061161r","","","0.71073","MoKα","","0.1037","0.0542","","","0.1251","0.1423","","","","","","0.993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101491","10.7538","0.0014","11.8122","0.0016","20.525","0.003","98.937","0.002","92.135","0.003","113.937","0.002","2339.4","0.5","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H72 Lu N3 Si2 -","- C45 H63 Lu N3 Si2 -","- C90 H126 Lu2 N6 Si4 -","2","1","","Jantunen, Kimberly C; Scott, Brian L; Hay, P Jeffrey; Gordon, John C; Kiplinger, Jaqueline L","Dearomatization and functionalization of terpyridine by lutetium(III) alkyl complexes.","Journal of the American Chemical Society","2006","128","19","6322","6323","10.1021/ja061161r","","","0.71073","MoKα","","0.077","0.0438","","","0.0779","0.0857","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101492","8.137","0.005","9.213","0.006","9.283","0.006","71.34","0.009","87.737","0.009","73.338","0.009","630.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Br N O3 -","- C12 H16 Br N O3 -","- C24 H32 Br2 N2 O6 -","2","1","","Yeung, Ying-Yeung; Hong, Sungwoo; Corey, E J","A short enantioselective pathway for the synthesis of the anti-influenza neuramidase inhibitor oseltamivir from 1,3-butadiene and acrylic acid.","Journal of the American Chemical Society","2006","128","19","6310","6311","10.1021/ja0616433","","","0.71073","MoKα","","0.0273","0.0251","","","0.0628","0.0639","","","","","","1.041","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101493","10.836","0.002","23.767","0.005","9.844","0.002","90","","122.091","0.003","90","","2147.8","0.8","193","2","193","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H25 Br Cl2 N2 O5 -","- C16 H25 Br Cl2 N2 O5 -","- C64 H100 Br4 Cl8 N8 O20 -","4","1","","Yeung, Ying-Yeung; Hong, Sungwoo; Corey, E J","A short enantioselective pathway for the synthesis of the anti-influenza neuramidase inhibitor oseltamivir from 1,3-butadiene and acrylic acid.","Journal of the American Chemical Society","2006","128","19","6310","6311","10.1021/ja0616433","","","0.71073","MoKα","","0.0305","0.0275","","","0.0642","0.0653","","","","","","1.017","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101494","7.076","0.005","7.693","0.005","12.82","0.01","77.94","0.03","84.96","0.03","75.35","0.03","659.7","0.8","123.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C30 H36 N4 O2 -","2","1","","Shintani, Ryo; Hayashi, Tamio","Palladium-catalyzed [3 + 3] cycloaddition of trimethylenemethane with azomethine imines.","Journal of the American Chemical Society","2006","128","19","6330","6331","10.1021/ja061662c","","","0.7107","MoKα","","","0.046","","","","0.064","","","","","","1.34","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101495","10.2735","0.0006","14.111","0.002","15.4467","0.0015","102.224","0.008","105.077","0.006","94.414","0.007","2092.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","tpy-xy-TPH2(NO2)+","","","- C49 H38.5 B F4 N6.5 O2 -","- C49 H38.5 B F4 N6.5 O2 -","- C98 H77 B2 F8 N13 O4 -","2","1","","Lainé, Philippe P; Bedioui, Fethi; Loiseau, Frédérique; Chiorboli, Claudio; Campagna, Sebastiano","Conformationally gated photoinduced processes within photosensitizer-acceptor dyads based on osmium(II) complexes with triarylpyridinio-functionalized terpyridyl ligands: insights from experimental study.","Journal of the American Chemical Society","2006","128","23","7510","7521","10.1021/ja058357w","","","0.71073","MoKα","","0.1166","0.0659","","","0.1806","0.2255","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101496","40.8437","0.0003","40.8437","0.0003","28.724","0.0001","90","","90","","120","","41497.9","0.5","100","0.1","100","0.1","","","","","","","","4","P 65 2 2","P 65 2 (0 0 1)","179","abp02","","","- C63 H95 N11 O45.5 -","- C63 H95 N11 O45.5 -","- C756 H1140 N132 O546 -","12","1","","Grotenbreg, Gijsbert M; Buizert, Annelies E M; Llamas-Saiz, Antonio L; Spalburg, Emile; van Hooft, Peter A V; de Neeling, Albert J; Noort, Daan; van Raaij, Mark J; van der Marel, Gijsbert A; Overkleeft, Herman S; Overhand, Mark","Beta-turn modified gramicidin S analogues containing arylated sugar amino acids display antimicrobial and hemolytic activity comparable to the natural product.","Journal of the American Chemical Society","2006","128","23","7559","7565","10.1021/ja0588510","","","0.97565","synchrotron","","0.1258","0.1152","","","0.3249","0.3391","","","","","","1.629","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101497","10.516","0.002","9.554","0.0019","16.67","0.003","90","","90","","90","","1674.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","1","","Wan, Xiaobing; Ma, Zhongxun; Li, Bijie; Zhang, Keya; Cao, Shaokui; Zhang, Shiwei; Shi, Zhangjie","Highly selective C-H functionalization/halogenation of acetanilide.","Journal of the American Chemical Society","2006","128","23","7416","7417","10.1021/ja060232j","","","0.71073","MoKα","","0.067","0.0323","","","0.0634","0.0663","","","","","","0.936","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101498","9.3602","0.0019","12.29","0.003","8.59","0.0017","90","","105.34","0.03","90","","953","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cl N O2 -","- C9 H10 Cl N O2 -","- C36 H40 Cl4 N4 O8 -","4","1","","Wan, Xiaobing; Ma, Zhongxun; Li, Bijie; Zhang, Keya; Cao, Shaokui; Zhang, Shiwei; Shi, Zhangjie","Highly selective C-H functionalization/halogenation of acetanilide.","Journal of the American Chemical Society","2006","128","23","7416","7417","10.1021/ja060232j","","","0.71073","MoKα","","0.0977","0.0551","","","0.1391","0.1548","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101499","7.5315","0.0015","19.034","0.004","8.174","0.0016","90","","104.27","0.03","90","","1135.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 F N2 O4 -","- C10 H11 F N2 O4 -","- C40 H44 F4 N8 O16 -","4","2","","Lu, Shao-Feng; Du, Da-Ming; Xu, Jiaxi; Zhang, Shi-Wei","Asymmetric Michael addition of nitroalkanes to nitroalkenes catalyzed by C2-symmetric tridentate bis(oxazoline) and bis(thiazoline) zinc complexes.","Journal of the American Chemical Society","2006","128","23","7418","7419","10.1021/ja0604008","","","0.71073","MoKα","","0.1003","0.0577","","","0.1405","0.154","","","","","","0.999","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101500","5.9181","0.0012","7.2067","0.0014","28.153","0.006","90","","90","","90","","1200.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 Cl N2 O4 -","- C10 H11 Cl N2 O4 -","- C40 H44 Cl4 N8 O16 -","4","1","","Lu, Shao-Feng; Du, Da-Ming; Xu, Jiaxi; Zhang, Shi-Wei","Asymmetric Michael addition of nitroalkanes to nitroalkenes catalyzed by C2-symmetric tridentate bis(oxazoline) and bis(thiazoline) zinc complexes.","Journal of the American Chemical Society","2006","128","23","7418","7419","10.1021/ja0604008","","","0.71073","MoKα","","0.0718","0.0314","","","0.0467","0.0503","","","","","","0.808","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101501","22.8553","0.0007","22.8553","0.0007","60.016","0.004","90","","90","","120","","27150","2","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C376 H324 N47 O16 Zn6 -","- C376 H324 N47 O16 Zn6 -","- C1128 H972 N141 O48 Zn18 -","3","0.166667","","Kamada, Taisuke; Aratani, Naoki; Ikeda, Toshiaki; Shibata, Naoki; Higuchi, Yoshiki; Wakamiya, Atsushi; Yamaguchi, Shigehiro; Kim, Kil Suk; Yoon, Zin Seok; Kim, Dongho; Osuka, Atsuhiro","High fidelity self-sorting assembling of meso-cinchomeronimide appended meso-meso linked Zn(II) diporphyrins.","Journal of the American Chemical Society","2006","128","23","7670","7678","10.1021/ja0611137","","","0.71073","MoKα","","0.2003","0.0992","","","0.2875","0.33","","","","","","0.969","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101502","29.95","0.03","54.46","0.05","30.26","0.03","90","","111.06","0.05","90","","46062","79","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C522 H722 N60 O20 Zn10 -","- C522 H110 N60 O20 Zn10 -","- C1044 H220 N120 O40 Zn20 -","2","1","","Kamada, Taisuke; Aratani, Naoki; Ikeda, Toshiaki; Shibata, Naoki; Higuchi, Yoshiki; Wakamiya, Atsushi; Yamaguchi, Shigehiro; Kim, Kil Suk; Yoon, Zin Seok; Kim, Dongho; Osuka, Atsuhiro","High fidelity self-sorting assembling of meso-cinchomeronimide appended meso-meso linked Zn(II) diporphyrins.","Journal of the American Chemical Society","2006","128","23","7670","7678","10.1021/ja0611137","","","0.6","Synchrotron","","0.1277","0.1147","","","0.3123","0.3186","","","","","","2.415","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101503","8.1123","0.0018","20.867","0.002","10.8576","0.0013","90","","93.051","0.012","90","","1835.3","0.5","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Fe O2 -","- C23 H22 Fe O2 -","- C92 H88 Fe4 O8 -","4","1","","Gregson, Charlotte K A; Gibson, Vernon C; Long, Nicholas J; Marshall, Edward L; Oxford, Phillip J; White, Andrew J P","Redox control within single-site polymerization catalysts.","Journal of the American Chemical Society","2006","128","23","7410","7411","10.1021/ja061398n","","","1.54178","CuKα","","0.1411","0.0717","","","0.1358","0.1553","","","","","","1.009","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101504","12.665","0.0003","20.524","0.0005","19.944","0.0005","90","","96.16","","90","","5154.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 I O3 Si -","- C23 I O3 Si -","- C184 I8 O24 Si8 -","8","2","","Bian, Jianwei; Van Wingerden, Matthew; Ready, Joseph M","Enantioselective total synthesis of (+)- and (-)-nigellamine A2.","Journal of the American Chemical Society","2006","128","23","7428","7429","10.1021/ja061559n","","","0.71073","MoKα","","0.1879","0.0834","","","0.1834","0.2367","","","","","","0.937","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101505","15.831","0.007","15.831","0.004","5.792","0.0014","90","","90","0.003","120","","1257.1","0.7","293","2","293","2","","","","","","","","4","P 32","P 32","145","","","","- C15 H15 I O3 -","- C15 I O3 -","- C45 I3 O9 -","3","1","","Bian, Jianwei; Van Wingerden, Matthew; Ready, Joseph M","Enantioselective total synthesis of (+)- and (-)-nigellamine A2.","Journal of the American Chemical Society","2006","128","23","7428","7429","10.1021/ja061559n","","","0.71073","MoKα","","0.089","0.0615","","","0.1583","0.169","","","","","","0.654","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101506","8.878","0.007","12.732","0.004","25.155","0.0014","90","","90","","90","","2843","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 N2 O5 -","- C31 H33 N2 O5 -","- C124 H132 N8 O20 -","4","1","","Bian, Jianwei; Van Wingerden, Matthew; Ready, Joseph M","Enantioselective total synthesis of (+)- and (-)-nigellamine A2.","Journal of the American Chemical Society","2006","128","23","7428","7429","10.1021/ja061559n","","","0.71069","MoKα","","0.1446","0.0716","","","0.1533","0.1883","","","","","","0.98","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101507","18.5","0.005","8.743","0.002","11.512","0.003","90","","124.481","0.004","90","","1535","0.7","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H19 I O4 -","- C14 H19 I O4 -","- C56 H76 I4 O16 -","4","1","","Bian, Jianwei; Van Wingerden, Matthew; Ready, Joseph M","Enantioselective total synthesis of (+)- and (-)-nigellamine A2.","Journal of the American Chemical Society","2006","128","23","7428","7429","10.1021/ja061559n","","x-ray","0.71073","MoKα","","0.0586","0.0563","","","0.1129","0.1138","","","","","","1.344","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101508","18.482","0.004","8.7351","0.0018","11.511","0.002","90","","124.485","0.002","90","","1531.8","0.5","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H19 I O4 -","- C14 H19 I O4 -","- C56 H76 I4 O16 -","4","1","","Bian, Jianwei; Van Wingerden, Matthew; Ready, Joseph M","Enantioselective total synthesis of (+)- and (-)-nigellamine A2.","Journal of the American Chemical Society","2006","128","23","7428","7429","10.1021/ja061559n","","x-ray","0.71073","MoKα","","0.0551","0.0509","","","0.0976","0.099","","","","","","1.277","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101509","7.3656","0.0008","8.1841","0.001","13.2944","0.0015","98.814","0.002","93.413","0.002","103.371","0.002","766.7","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C38 H40 O4 -","2","1","","Shi, Min; Liu, Le-Ping; Tang, Jie","Palladium-catalyzed ring enlargement of aryl-substituted methylenecyclopropanes to cyclobutenes.","Journal of the American Chemical Society","2006","128","23","7430","7431","10.1021/ja061749y","","","0.71073","MoKα","","0.103","0.0446","","","0.0698","0.0845","","","","","","0.791","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101510","12.1007","0.0018","11.1744","0.0007","19.3198","0.0018","90","","106.728","0.01","90","","2501.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 Li N O2 Zn -","- C24 H42 Li N O2 Zn -","- C96 H168 Li4 N4 O8 Zn4 -","4","1","","Clegg, William; Dale, Sophie H; Drummond, Allison M; Hevia, Eva; Honeyman, Gordon W; Mulvey, Robert E","Alkali-metal-mediated zincation of anisole: synthesis and structures of three instructive ortho-zincated complexes.","Journal of the American Chemical Society","2006","128","23","7434","7435","10.1021/ja061898g","","","0.71073","MoKα","","0.0568","0.0319","","","0.0644","0.0717","","","","","","1.019","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101511","14.47","0.004","11.4161","0.0014","16.167","0.004","90","","93.35","0.02","90","","2666.1","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 Li N O3 Zn -","- C27 H40 Li N O3 Zn -","- C108 H160 Li4 N4 O12 Zn4 -","4","1","","Clegg, William; Dale, Sophie H; Drummond, Allison M; Hevia, Eva; Honeyman, Gordon W; Mulvey, Robert E","Alkali-metal-mediated zincation of anisole: synthesis and structures of three instructive ortho-zincated complexes.","Journal of the American Chemical Society","2006","128","23","7434","7435","10.1021/ja061898g","","","0.71073","MoKα","","0.0905","0.0571","","","0.0856","0.0939","","","","","","1.137","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101512","10.399","0.002","11.205","0.002","11.914","0.003","88.22","0.003","75.45","0.003","87.077","0.003","1341.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H42 Li N O2 Zn -","- C27 H42 Li N O2 Zn -","- C54 H84 Li2 N2 O4 Zn2 -","2","1","","Clegg, William; Dale, Sophie H; Drummond, Allison M; Hevia, Eva; Honeyman, Gordon W; Mulvey, Robert E","Alkali-metal-mediated zincation of anisole: synthesis and structures of three instructive ortho-zincated complexes.","Journal of the American Chemical Society","2006","128","23","7434","7435","10.1021/ja061898g","","","0.71073","MoKα","","0.0587","0.0526","","","0.1029","0.105","","","","","","1.248","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101513","6.9746","0.0011","12.471","0.002","7.7054","0.0012","90","","102.12","0.002","90","","655.29","0.18","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H15 F Mo O2 -","- C13 H15 F Mo O2 -","- C26 H30 F2 Mo2 O4 -","2","0.5","","Huang, Hui; Hughes, Russell P; Landis, Clark R; Rheingold, Arnold L","The simplest binary fluorocarbon as a ligand. Synthetic, spectroscopic, crystallographic, and computational studies of a molybdenum complex of terminally ligated carbon monofluoride (fluoromethylidyne).","Journal of the American Chemical Society","2006","128","23","7454","7455","10.1021/ja062510k","","","0.71073","MoKα","","0.0236","0.0229","","","0.0738","0.0743","","","","","","1.458","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101514","8.84","0.0014","11.1894","0.0017","22.168","0.003","90","","93.529","0.003","90","","2188.6","0.6","208","2","208","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Co2 F Mo O8 -","- C19 H15 Co2 F Mo O8 -","- C76 H60 Co8 F4 Mo4 O32 -","4","1","","Huang, Hui; Hughes, Russell P; Landis, Clark R; Rheingold, Arnold L","The simplest binary fluorocarbon as a ligand. Synthetic, spectroscopic, crystallographic, and computational studies of a molybdenum complex of terminally ligated carbon monofluoride (fluoromethylidyne).","Journal of the American Chemical Society","2006","128","23","7454","7455","10.1021/ja062510k","","","0.71073","MoKα","","0.0787","0.0499","","","0.0906","0.0973","","","","","","1.005","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101515","45.505","0.003","11.4419","0.0007","31.3536","0.0019","90","","129.181","0.002","90","","12654.1","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65.5 H104.5 N2.5 S3 U -","- C66 H102 N2 S3 U -","- C528 H816 N16 S24 U8 -","8","1","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.0725","0.0431","","","0.1008","0.1074","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101516","11.937","0.0005","20.7998","0.0007","19.5467","0.0007","90","","90.212","0.002","90","","4853.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H83 N3 S Si6 U -","- C36 H83 N3 S Si6 U -","- C144 H332 N12 S4 Si24 U4 -","4","1","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.0353","0.0258","","","0.0575","0.0602","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101517","13.9906","0.0008","32.6564","0.0019","19.4059","0.0007","90","","107.758","0.003","90","","8443.8","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C90 H134 S4 U -","- C90 H134 S4 U -","- C360 H536 S16 U4 -","4","0.5","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.0447","0.034","","","0.0698","0.0735","","","","","","1.014","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101518","10.1653","0.0002","37.649","0.0014","14.3213","0.0006","90","","100.07","0.002","90","","5396.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H87 S3 U -","- C54 H87 S3 U -","- C216 H348 S12 U4 -","4","1","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.049","0.032","","","0.0615","0.0669","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101519","10.1325","0.0004","37.693","0.004","14.3913","0.0008","90","","99.949","0.003","90","","5413.7","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H87 La S3 -","- C54 H87 La S3 -","- C216 H348 La4 S12 -","4","1","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.0853","0.0729","","","0.17","0.1802","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101520","16.0518","0.0005","37.544","0.001","18.9539","0.0012","90","","110.052","0.002","90","","10730.1","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H87 La S3 -","- C54 H87 La S3 -","- C432 H696 La8 S24 -","8","2","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.0849","0.0654","","","0.1513","0.1654","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101521","10.1207","0.0005","37.6","0.002","14.3679","0.0009","90","","100.07","0.004","90","","5383.3","0.5","135","2","135","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H87 Ce S3 -","- C54 H87 Ce S3 -","- C216 H348 Ce4 S12 -","4","1","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.1789","0.0925","","","0.2188","0.2545","","","","","","0.97","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101522","10.1384","0.0009","37.698","0.004","14.3383","0.0011","90","","100.008","0.006","90","","5396.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H87 Pr S3 -","- C54 H87 Pr S3 -","- C216 H348 Pr4 S12 -","4","1","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.1143","0.0461","","","0.0788","0.0919","","","","","","0.887","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101523","10.1528","0.0004","37.6336","0.0017","14.3232","0.0006","90","","100.054","0.003","90","","5388.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H87 Nd S3 -","- C54 H87 Nd S3 -","- C216 H348 Nd4 S12 -","4","1","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.0482","0.0334","","","0.0686","0.074","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101524","19.967","0.009","10.206","0.005","12.039","0.006","90","","90","","90","","2453","2","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H44 Li N O Zn -","- C21 H44 Li N O Zn -","- C84 H176 Li4 N4 O4 Zn4 -","4","0.5","","Uchiyama, Masanobu; Matsumoto, Yotaro; Nobuto, Daisuke; Furuyama, Taniyuki; Yamaguchi, Kentaro; Morokuma, Keiji","Structure and reaction pathway of TMP-Zincate: amido base or alkyl base?","Journal of the American Chemical Society","2006","128","27","8748","8750","10.1021/ja060489h","","","0.71073","MoKα","","0.0468","0.0386","","","0.1123","0.1213","","","","","","1.047","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101525","8.1006","0.0007","12.2801","0.0012","17.1807","0.0016","101.513","0.005","93.354","0.004","98.714","0.004","1648.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H44 O2 P2 Si2 -","- C32 H44 O2 P2 Si2 -","- C64 H88 O4 P4 Si4 -","2","1","","Wright, Vincent A; Patrick, Brian O; Schneider, Celine; Gates, Derek P","Phosphorus copies of PPV: pi-conjugated polymers and molecules composed of alternating phenylene and phosphaalkene moieties.","Journal of the American Chemical Society","2006","128","27","8836","8844","10.1021/ja060816l","","","0.71069","MoKα","","0.0734","0.0416","","","0.0939","0.1025","","","","","","0.923","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101526","9.769","0.0012","9.0886","0.0008","17.49","0.002","90","","94.19","0.004","90","","1548.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 O2 P2 Si2 -","- C30 H40 O2 P2 Si2 -","- C60 H80 O4 P4 Si4 -","2","0.5","","Wright, Vincent A; Patrick, Brian O; Schneider, Celine; Gates, Derek P","Phosphorus copies of PPV: pi-conjugated polymers and molecules composed of alternating phenylene and phosphaalkene moieties.","Journal of the American Chemical Society","2006","128","27","8836","8844","10.1021/ja060816l","","","0.71073","MoKα","","0.0589","0.0475","","","0.1281","0.1378","","","","","","1.05","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101527","7.806","0.001","16.799","0.002","14.801","0.002","90","","101.78","0.01","90","","1900","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 O P Si -","- C19 H25 O P Si -","- C76 H100 O4 P4 Si4 -","4","1","","Wright, Vincent A; Patrick, Brian O; Schneider, Celine; Gates, Derek P","Phosphorus copies of PPV: pi-conjugated polymers and molecules composed of alternating phenylene and phosphaalkene moieties.","Journal of the American Chemical Society","2006","128","27","8836","8844","10.1021/ja060816l","","","0.71073","MoKα","","0.0429","0.0351","","","0.1033","0.1079","","","","","","1.117","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101528","27.7508","0.0005","25.2969","0.0007","13.7923","0.0004","90","","90","","90","","9682.3","0.3","298","","","","","","","","","","Synthetic","2","F m m m","-F 2 2","69","ITQ-27","silicogermanate","","- O38 Si19 -","- O38 Si19 -","- O304 Si152 -","8","0.25","","Dorset, Douglas L; Kennedy, Gordon J; Strohmaier, Karl G; Diaz-Cabañas, Maria J; Rey, Fernando; Corma, Avelino","P-derived organic cations as structure-directing agents: synthesis of a high-silica zeolite (ITQ-27) with a two-dimensional 12-ring channel system.","Journal of the American Chemical Society","2006","128","27","8862","8867","10.1021/ja061206o","powder diffraction","x-ray","0.8702","","","","","","","","","0.11785","","1.95","","","","","","","has coordinates,has Fobs","178761","2020-10-21","18:00:00",""
"4101529","13.8184","0.0004","13.8184","0.0004","10.0456","0.0007","90","","90","","90","","1918.19","0.16","293","2","293","2","","","","","","","","8","I -4 m 2","I -4 -2","119","","","","- Cs H10.84 K N2.71 Rb1.29 S17 Sn5 Zn4 -","- Cs K N2.72 Rb1.292 S17 Sn5 Zn4 -","- Cs2 K2 N5.44 Rb2.584 S34 Sn10 Zn8 -","2","0.125","","Manos, Manolis J; Chrissafis, Konstantinos; Kanatzidis, Mercouri G","Unique pore selectivity for Cs+ and exceptionally high NH4+ exchange capacity of the chalcogenide material K6Sn[Zn4Sn4S17].","Journal of the American Chemical Society","2006","128","27","8875","8883","10.1021/ja061342t","","","0.71073","MoKα","","0.0642","0.0468","","","0.0825","0.0888","","","","","","1.041","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101530","13.829","0.005","13.829","0.005","9.81","0.007","90","","90","","90","","1876","1.5","293","2","293","2","","","","","","","","6","I -4 m 2","I -4 -2","119","","","","- H5.64 K4.59 N1.41 S17 Sn5 Zn4 -","- K4.6 N1.4 S17 Sn5 Zn4 -","- K9.2 N2.8 S34 Sn10 Zn8 -","2","0.125","","Manos, Manolis J; Chrissafis, Konstantinos; Kanatzidis, Mercouri G","Unique pore selectivity for Cs+ and exceptionally high NH4+ exchange capacity of the chalcogenide material K6Sn[Zn4Sn4S17].","Journal of the American Chemical Society","2006","128","27","8875","8883","10.1021/ja061342t","","","0.71073","MoKα","","0.102","0.0685","","","0.1326","0.1634","","","","","","1.078","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101531","13.8142","0.0009","13.8142","0.0009","9.6824","0.0012","90","","90","","90","","1847.7","0.3","293","2","293","2","","","","","","","","6","I -4 m 2","I -4 -2","119","","","","- H4 K5 N S17 Sn5 Zn4 -","- H4 K5 N S17 Sn5 Zn4 -","- H8 K10 N2 S34 Sn10 Zn8 -","2","0.125","","Manos, Manolis J; Chrissafis, Konstantinos; Kanatzidis, Mercouri G","Unique pore selectivity for Cs+ and exceptionally high NH4+ exchange capacity of the chalcogenide material K6Sn[Zn4Sn4S17].","Journal of the American Chemical Society","2006","128","27","8875","8883","10.1021/ja061342t","","","0.71073","MoKα","","0.0719","0.0554","","","0.1239","0.1451","","","","","","1.151","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101532","13.843","0.002","13.843","0.002","9.69","0.003","90","","90","","90","","1856.8","0.7","293","2","293","2","","","","","","","","5","I -4 m 2","I -4 -2","119","","","","- Cs K5 S17 Sn5 Zn4 -","- Cs K5 S17 Sn5 Zn4 -","- Cs2 K10 S34 Sn10 Zn8 -","2","0.125","","Manos, Manolis J; Chrissafis, Konstantinos; Kanatzidis, Mercouri G","Unique pore selectivity for Cs+ and exceptionally high NH4+ exchange capacity of the chalcogenide material K6Sn[Zn4Sn4S17].","Journal of the American Chemical Society","2006","128","27","8875","8883","10.1021/ja061342t","","","0.71073","MoKα","","0.0726","0.0682","","","0.1795","0.1817","","","","","","1.274","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101533","13.8455","0.0006","13.8455","0.0006","10.0731","0.0009","90","","90","","90","","1931","0.2","293","2","293","2","","","","","","","","6","I -4 m 2","I -4 -2","119","","","","- H20 K N5 S17 Sn5 Zn4 -","- K1.04 N5 S17 Sn5 Zn4 -","- K2.08 N10 S34 Sn10 Zn8 -","2","0.125","","Manos, Manolis J; Chrissafis, Konstantinos; Kanatzidis, Mercouri G","Unique pore selectivity for Cs+ and exceptionally high NH4+ exchange capacity of the chalcogenide material K6Sn[Zn4Sn4S17].","Journal of the American Chemical Society","2006","128","27","8875","8883","10.1021/ja061342t","","","0.71073","MoKα","","0.0272","0.0243","","","0.0786","0.0799","","","","","","1.207","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101534","25.3588","0.0006","14.9668","0.0003","39.4062","0.0009","90","","95.315","0.002","90","","14891.9","0.6","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CeSc2N@C80.NiOEP.2benzene","","","- C128 H56 Ce N5 Ni Sc2 -","- C128 H56 Ce N5 Ni Sc2 -","- C1024 H448 Ce8 N40 Ni8 Sc16 -","8","1","","Wang, Xuelei; Zuo, Tianming; Olmstead, Marilyn M; Duchamp, James C; Glass, Thomas E; Cromer, Frank; Balch, Alan L; Dorn, Harry C","Preparation and structure of CeSc2N@C80: an icosahedral carbon cage enclosing an acentric CeSc2N unit with buried f electron spin.","Journal of the American Chemical Society","2006","128","27","8884","8889","10.1021/ja061434i","","","0.71073","MoKα","","0.0938","0.0444","","","0.0999","0.117","","","","","","1.016","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101535","19.8805","0.001","11.7498","0.0006","31.4557","0.0015","90","","90","","90","","7347.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H36 N2 O10 S4 -","- C36 H36 N2 O10 S4 -","- C288 H288 N16 O80 S32 -","8","1","","Lukin, Oleg; Gramlich, Volker; Kandre, Ramchandra; Zhun, Igor; Felder, Thorsten; Schalley, Christoph A; Dolgonos, Grigoriy","Designer dendrimers: branched oligosulfonimides with controllable molecular architectures.","Journal of the American Chemical Society","2006","128","27","8964","8974","10.1021/ja061606b","","","0.71073","MoKα","","0.1384","0.0572","","","0.1135","0.1217","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101536","6.9331","0.0014","18.493","0.002","19.158","0.003","114.416","0.013","99.884","0.015","96.367","0.013","2157.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 N3 O10 S4 -","- C44 H44 N3 O10 S4 -","- C88 H88 N6 O20 S8 -","2","1","","Lukin, Oleg; Gramlich, Volker; Kandre, Ramchandra; Zhun, Igor; Felder, Thorsten; Schalley, Christoph A; Dolgonos, Grigoriy","Designer dendrimers: branched oligosulfonimides with controllable molecular architectures.","Journal of the American Chemical Society","2006","128","27","8964","8974","10.1021/ja061606b","","","0.71073","MoKα","","0.1056","0.0679","","","0.1565","0.1774","","","","","","1.073","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101537","20.353","0.012","14.477","0.009","12.291","0.008","90","","115.3","0.013","90","","3274","3","114","2","114","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C46 H8 Cl2 Mn3 N24 O12 -","- C46 H8 Cl2 Mn3 N24 O12 -","- C92 H16 Cl4 Mn6 N48 O24 -","2","0.25","","Dinca, Mircea; Yu, Anta F; Long, Jeffrey R","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.71073","MoKα","","0.1273","0.0836","","","0.2268","0.2643","","","","","","1.063","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101538","10.491","0.003","16.446","0.005","19.412","0.007","74.64","0.01","82.81","0.01","78.35","0.01","3153.8","1.8","173","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H12 Mn4 N36 O15 -","- C84 H12 Mn4 N36 O15 -","- C84 H12 Mn4 N36 O15 -","1","0.5","","Dinca, Mircea; Yu, Anta F; Long, Jeffrey R","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.775","synchrotron","","0.2068","0.1407","","","0.3373","0.393","","","","","","1.033","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101539","11.5713","0.0019","11.736","0.002","13.619","0.002","92.869","0.013","114.443","0.014","107.988","0.015","1567.4","0.5","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H55 N29 O8 Zn3 -","- C45 H32 N30 O11 Zn3 -","- C45 H32 N30 O11 Zn3 -","1","0.5","","Dinca, Mircea; Yu, Anta F; Long, Jeffrey R","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.71073","MoKα","","0.0911","0.0684","","","0.2028","0.2155","","","","","","1.064","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101540","11.693","0.003","11.994","0.005","13.753","0.003","92.97","0.03","114.36","0.02","108.354","0.017","1630.5","0.8","159","2","159","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H12 Mn3 N29 O10 -","- C39 H12 Mn3 N29 O10 -","- C39 H12 Mn3 N29 O10 -","1","0.5","","Dinca, Mircea; Yu, Anta F; Long, Jeffrey R","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.71073","MoKα","","0.1353","0.0851","","","0.2519","0.2811","","","","","","1.07","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101541","33.018","0.007","33.018","0.007","8.603","0.001","90","","90","","120","","8123","3","176","2","176","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C20.4 H6 Cl3 Mn3 N14.4 O13.32 -","- C20.4 H6 Cl3 Mn3 N14.4 O13.3 -","- C122.4 H36 Cl18 Mn18 N86.4 O79.8 -","6","0.333333","","Dinca, Mircea; Yu, Anta F; Long, Jeffrey R","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.71073","MoKα","","0.1107","0.0582","","","0.1467","0.154","","","","","","0.745","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101542","22.34","0.004","7.079","0.001","13.644","0.003","90","","90","","90","","2157.6","0.7","173","2","173","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C23 H8 Cu2 N18 O8 -","- C23 H8 Cu2 N18 O8 -","- C46 H16 Cu4 N36 O16 -","2","0.125","","Dinca, Mircea; Yu, Anta F; Long, Jeffrey R","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.775","Synchrotron","","0.0662","0.0613","","","0.1885","0.1937","","","","","","1.173","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101543","16.3151","0.0002","16.4521","0.0003","16.5118","0.0003","90","","90","","90","","4432.06","0.13","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 F2 I2 P2 Pt -","- C18 H24 F2 I2 P2 Pt -","- C144 H192 F16 I16 P16 Pt8 -","8","1","","Yahav-Levi, Anette; Goldberg, Israel; Vigalok, Arkadi","Aryl-halide versus aryl-aryl reductive elimination in Pt(IV)-phosphine complexes.","Journal of the American Chemical Society","2006","128","27","8710","8711","10.1021/ja062166r","","","0.71073","MoKα","","0.0558","0.0389","","","0.086","0.0932","","","","","","1.083","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101544","6.1079","0.0012","8.0645","0.0016","21.987","0.004","90.455","0.003","97.882","0.004","92.898","0.004","1071.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H23 Cl O -","- C28 H23 Cl O -","- C56 H46 Cl2 O2 -","2","1","","Nair, Vijay; Vellalath, Sreekumar; Poonoth, Manojkumar; Suresh, Eringathodi","N-heterocyclic carbene-catalyzed reaction of chalcones and enals via homoenolate: an efficient synthesis of 1,3,4-trisubstituted cyclopentenes.","Journal of the American Chemical Society","2006","128","27","8736","8737","10.1021/ja0625677","","","0.71073","MoKα","","0.1246","0.0602","","","0.1304","0.1627","","","","","","1.011","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101545","9.8167","0.0007","10.4061","0.0007","14.878","0.001","104.959","0.001","91.728","0.001","105.962","0.001","1403.33","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 Cl2 N4 O2 S3 -","- C27 H24 Cl2 N4 O2 S3 -","- C54 H48 Cl4 N8 O4 S6 -","2","1","","Casado, Juan; Zgierski, Marek Z; Ewbank, Paul C; Burand, Michael W; Janzen, Daron E; Mann, Kent R; Pappenfus, Ted M; Berlin, Anna; Pérez-Inestrosa, Ezequiel; Ortiz, Rocío Ponce; López Navarrete, Juan T","Exploration of ground and excited electronic states of aromatic and quinoid S,S-dioxide terthiophenes. Complementary systems for enhanced electronic organic materials.","Journal of the American Chemical Society","2006","128","31","10134","10144","10.1021/ja061372w","","","0.71073","MoKα","","0.0525","0.0375","","","0.0754","0.08","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101546","15.412","0.002","15.412","0.002","10.678","0.002","90","","90","","120","","2196.5","0.6","110","2","110","2","","","","","","","","3","R -3 :H","-R 3","148","Compound1","","","- Co Gd7 I12 -","- Co Gd7 I12 -","- Co3 Gd21 I36 -","3","0.166667","","Sweet, Lucas E; Roy, Lindsay E; Meng, Fanqin; Hughbanks, Timothy","Ferromagnetic coupling in hexanuclear gadolinium clusters.","Journal of the American Chemical Society","2006","128","31","10193","10201","10.1021/ja0617690","","","0.71073","MoKα","","0.0282","0.0247","","","0.0492","0.0503","","","","","","1.191","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101547","10.7528","0.0002","20.0172","0.0003","16.6282","0.0003","90","","102.654","0.001","90","","3492.1","0.1","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 Si -","- C46 H38 Si -","- C184 H152 Si4 -","4","1","","Sartin, Matthew M; Boydston, Andrew J; Pagenkopf, Brian L; Bard, Allen J","Electrochemistry, spectroscopy, and electrogenerated chemiluminescence of silole-based chromophores.","Journal of the American Chemical Society","2006","128","31","10163","10170","10.1021/ja0618494","","","0.71073","MoKα","","0.1254","0.0523","","","0.1077","0.1309","","","","","","0.996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101548","14.5294","0.0005","13.9634","0.0006","22.6549","0.001","90","","107.056","0.003","90","","4394.1","0.3","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C58 H46 Si -","- C58 H46 Si -","- C232 H184 Si4 -","4","2","","Sartin, Matthew M; Boydston, Andrew J; Pagenkopf, Brian L; Bard, Allen J","Electrochemistry, spectroscopy, and electrogenerated chemiluminescence of silole-based chromophores.","Journal of the American Chemical Society","2006","128","31","10163","10170","10.1021/ja0618494","","","0.71073","MoKα","","0.198","0.1006","","","0.1582","0.1833","","","","","","1.324","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101549","10.656","0.005","12.32","0.005","39.125","0.005","90","0.005","95.485","0.005","90","0.005","5113","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 Cl Mo N16 Ni2 O10 -","- C38 H48 Cl Mo N16 Ni2 O10 -","- C152 H192 Cl4 Mo4 N64 Ni8 O40 -","4","1","","Visinescu, Diana; Desplanches, Cédric; Imaz, Inhar; Bahers, Vincent; Pradhan, Rabindranath; Villamena, Frederick A; Guionneau, Philippe; Sutter, Jean-Pascal","Evidence for increased exchange interactions with 5d compared to 4d metal ions. Experimental and theoretical insights into the ferromagnetic interactions of a series of trinuclear [{M(CN)8}3-/NiII] compounds (M = MoV or WV).","Journal of the American Chemical Society","2006","128","31","10202","10212","10.1021/ja061911x","","","0.71069","MoKα","","0.1093","0.0488","","","0.0981","0.1167","","","","","","1.016","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101550","10.668","0.001","12.301","0.001","39.293","0.004","90","","95.53","0.03","90","","5132.2","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 Cl N16 Ni2 O9 W -","- C38 H54 Cl N16 Ni2 O9 W -","- C152 H216 Cl4 N64 Ni8 O36 W4 -","4","1","","Visinescu, Diana; Desplanches, Cédric; Imaz, Inhar; Bahers, Vincent; Pradhan, Rabindranath; Villamena, Frederick A; Guionneau, Philippe; Sutter, Jean-Pascal","Evidence for increased exchange interactions with 5d compared to 4d metal ions. Experimental and theoretical insights into the ferromagnetic interactions of a series of trinuclear [{M(CN)8}3-/NiII] compounds (M = MoV or WV).","Journal of the American Chemical Society","2006","128","31","10202","10212","10.1021/ja061911x","","","0.71073","MoKα","","0.0823","0.0559","","","0.1768","0.224","","","","","","1.209","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101551","14.2074","0.0002","14.2074","0.0002","31.2302","0.0009","90","","90","","120","","5459.27","0.19","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","MIL-96 (Al)","","","- C6 H2 Al1.56 O7.33 -","- C6 H2 Al1.55333 O7.32667 -","- C108 H36 Al27.96 O131.88 -","18","0.75","","Loiseau, Thierry; Lecroq, Ludovic; Volkringer, Christophe; Marrot, Jérôme; Férey, Gérard; Haouas, Mohamed; Taulelle, Francis; Bourrelly, Sandrine; Llewellyn, Philip L; Latroche, Michel","MIL-96, a porous aluminum trimesate 3D structure constructed from a hexagonal network of 18-membered rings and mu3-oxo-centered trinuclear units.","Journal of the American Chemical Society","2006","128","31","10223","10230","10.1021/ja0621086","","","0.71073","MoKα","","0.0717","0.0509","","","0.1578","0.1807","","","","","","1.139","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101552","13.232","0.005","13.929","0.005","18.537","0.005","77.893","0.005","90.229","0.005","67.596","0.005","3075","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H39 B N2 -","- C38 H39 B N2 -","- C152 H156 B4 N8 -","4","2","","Goze, Christine; Ulrich, Gilles; Mallon, Laura J; Allen, Ben D; Harriman, Anthony; Ziessel, Raymond","Synthesis and photophysical properties of borondipyrromethene dyes bearing aryl substituents at the boron center.","Journal of the American Chemical Society","2006","128","31","10231","10239","10.1021/ja062405a","","","0.71069","MoKα","","0.0935","0.0657","","","0.1781","0.2042","","","","","","1.036","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101553","19.7197","0.0003","12.8542","0.0002","22.0126","0.0005","90","","99.871","0.005","90","","5497.2","0.2","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H39 B N2 O2 -","- C32 H39 B N2 O2 -","- C256 H312 B8 N16 O16 -","8","1","","Goze, Christine; Ulrich, Gilles; Mallon, Laura J; Allen, Ben D; Harriman, Anthony; Ziessel, Raymond","Synthesis and photophysical properties of borondipyrromethene dyes bearing aryl substituents at the boron center.","Journal of the American Chemical Society","2006","128","31","10231","10239","10.1021/ja062405a","","","0.71073","Mo-Kα","","0.12","0.061","","0.202","","0.069","","","1.589","","","1.031","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101554","35.642","0.005","35.642","0.005","6.665","0.0005","90","","90","","120","","7332.5","1.6","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","7,7-Diallyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1] -1-carboxylic acid","","- C15 H26 O6 -","- C15 H24 O5.754 -","- C270 H432 O103.572 -","18","1","","Febles, Martín; Pérez-Hernandez, Natalia; Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Roux, María Victoria; Morales, Ezequiel Q; Buntkowsky, Gerd; Limbach, Hans-Heinrich; Martín, Julio D","Distinct dynamic behaviors of water molecules in hydrated pores.","Journal of the American Chemical Society","2006","128","31","10008","10009","10.1021/ja063223j","","","0.71073","MoKα","","0.1314","0.1113","","","0.3158","0.3377","","","","","","1.041","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101555","35.405","0.005","35.405","0.005","6.626","0.0005","90","","90","","120","","7193","1.4","170","2","170","2","","","","","","","","3","R -3 :H","-R 3","148","","7,7-Diallyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1] -1-carboxylic acid","","- C15 H26 O6 -","- C15 H24 O5.802 -","- C270 H432 O104.436 -","18","1","","Febles, Martín; Pérez-Hernandez, Natalia; Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Roux, María Victoria; Morales, Ezequiel Q; Buntkowsky, Gerd; Limbach, Hans-Heinrich; Martín, Julio D","Distinct dynamic behaviors of water molecules in hydrated pores.","Journal of the American Chemical Society","2006","128","31","10008","10009","10.1021/ja063223j","","","0.71073","MoKα","","0.1128","0.0909","","","0.2387","0.2544","","","","","","1.081","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101556","35.348","0.005","35.348","0.005","6.6096","0.0006","90","","90","","120","","7152","1.7","115","2","115","2","","","","","","","","3","R -3 :H","-R 3","148","","7,7-Diallyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1] -1-carboxylic acid","","- C15 H26 O6 -","- C15 H24 O5.82317 -","- C270 H432 O104.817 -","18","1","","Febles, Martín; Pérez-Hernandez, Natalia; Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Roux, María Victoria; Morales, Ezequiel Q; Buntkowsky, Gerd; Limbach, Hans-Heinrich; Martín, Julio D","Distinct dynamic behaviors of water molecules in hydrated pores.","Journal of the American Chemical Society","2006","128","31","10008","10009","10.1021/ja063223j","","","0.71073","MoKα","","0.1","0.0846","","","0.1819","0.1916","","","","","","1.089","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101557","12.154","0.005","16.218","0.007","16.684","0.007","75.872","0.006","79.373","0.008","89.993","0.008","3131","2","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H47 O3 P2 Te W -","- C27 H47 O3 P2 Te W -","- C108 H188 O12 P8 Te4 W4 -","4","2","","McDonough, James E; Weir, John J; Sukcharoenphon, Kengkaj; Hoff, Carl D; Kryatova, Olga P; Rybak-Akimova, Elena V; Scott, Brian L; Kubas, Gregory J; Mendiratta, Arjun; Cummins, Christopher C","Comparison of thermodynamic and kinetic aspects of oxidative addition of PhE-EPh (E = S, Se, Te) to Mo(CO)3(PR3)2, W(CO)3(PR3)2, and Mo(N[tBu]Ar)3 complexes. The role of oxidation state and ancillary ligands in metal complex induced chalcogenyl radical generation.","Journal of the American Chemical Society","2006","128","31","10295","10303","10.1021/ja063250+","","","0.71073","MoKα","","0.1043","0.084","","","0.1985","0.2119","","","","","","1.201","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101558","3.96358","0.00002","3.96358","0.00002","8.51222","0.00007","90","","90","","90","","133.727","0.001","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","?","- Fe2 La2 O2 P2 -","- Fe2 La2 O2 P2 -","","","","Kamihara, Yoichi; Hiramatsu, Hidenori; Hirano, Masahiro; Kawamura, Ryuto; Yanagi, Hiroshi; Kamiya, Toshio; Hosono, Hideo","Iron-based layered superconductor: LaOFeP.","Journal of the American Chemical Society","2006","128","31","10012","10013","10.1021/ja063355c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101559","6.327","0.0002","36.536","0.001","14.262","0.0005","90","","90.552","0.003","90","","3296.7","0.18","10","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H14 P Pd2 S20 -","- C17 H14 P Pd2 S20 -","- C68 H56 P4 Pd8 S80 -","4","1","","Kato, Reizo; Tajima, Akiko; Nakao, Akiko; Tamura, Masafumi","Two pressure-induced superconducting anion radical salts exhibiting different spin states at ambient pressure.","Journal of the American Chemical Society","2006","128","31","10016","10017","10.1021/ja063525l","","","0.7107","MoKα","","","0.063","","","","0.189","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101560","6.3962","0.0003","36.6911","0.0005","7.929","0.0003","90","","114.302","0.002","90","","1695.92","0.1","297","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H14 P Pd2 S20 -","- C17 H14 P Pd2 S20 -","- C34 H28 P2 Pd4 S40 -","2","0.5","","Kato, Reizo; Tajima, Akiko; Nakao, Akiko; Tamura, Masafumi","Two pressure-induced superconducting anion radical salts exhibiting different spin states at ambient pressure.","Journal of the American Chemical Society","2006","128","31","10016","10017","10.1021/ja063525l","","","0.7107","MoKα","","","0.0332","","","","0.0909","","","","","","1.047","","","","has coordinates","134499","2020-10-21","18:00:00",""
"4101561","6.333","0.0003","7.793","0.0004","37.267","0.002","96.164","0.003","90.982","0.004","113.079","0.003","1678.72","0.15","150","","","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 As Pd2 S20 -","- C17 H14 As Pd2 S20 -","- C34 H28 As2 Pd4 S40 -","2","1","","Kato, Reizo; Tajima, Akiko; Nakao, Akiko; Tamura, Masafumi","Two pressure-induced superconducting anion radical salts exhibiting different spin states at ambient pressure.","Journal of the American Chemical Society","2006","128","31","10016","10017","10.1021/ja063525l","","","0.7107","MoKα","","","0.0653","","","","0.1723","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101562","14.47","0.003","6.3779","0.0011","37.304","0.007","90","","97.011","0.002","90","","3417.1","1.1","297","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 As Pd2 S20 -","- C17 H14 As Pd2 S20 -","- C68 H56 As4 Pd8 S80 -","4","0.5","","Kato, Reizo; Tajima, Akiko; Nakao, Akiko; Tamura, Masafumi","Two pressure-induced superconducting anion radical salts exhibiting different spin states at ambient pressure.","Journal of the American Chemical Society","2006","128","31","10016","10017","10.1021/ja063525l","","","0.7107","MoKα","","","0.0317","","","","0.0827","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101563","10.2186","0.0017","22.041","0.003","35.814","0.006","90","","92.536","0.007","90","","8058","2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H30 N4 O Zn -","- C50.185 H30 N4 O0.815 Zn -","- C401.48 H240 N32 O6.52 Zn8 -","8","2","","Maeda, Hiromitsu; Hasegawa, Masahiro; Hashimoto, Takashi; Kakimoto, Takuya; Nishio, Satoru; Nakanishi, Takashi","Nanoscale spherical architectures fabricated by metal coordination of multiple dipyrrin moieties.","Journal of the American Chemical Society","2006","128","31","10024","10025","10.1021/ja0637301","","","0.71075","MoKα","","0.1403","0.0782","","","0.1852","0.2178","","","","","","1.035","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101564","25.226","0.005","14.078","0.003","28.556","0.006","90","","90","","90","","10141","3","173","2","173","2","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C50.5 H74 F3 Fe N O4 P2 Pd S -","- C50.5 H73 F3 Fe N O4 P2 Pd S -","- C404 H584 F24 Fe8 N8 O32 P16 Pd8 S8 -","8","1","","Shen, Qilong; Hartwig, John F","Palladium-catalyzed coupling of ammonia and lithium amide with aryl halides.","Journal of the American Chemical Society","2006","128","31","10028","10029","10.1021/ja064005t","","","0.71073","MoKα","","0.0907","0.0525","","","0.1356","0.1519","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101565","12.365","0.0013","10.4112","0.0007","22.0747","0.0016","90","","115.171","0.006","90","","2571.9","0.4","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 O12 -","- C24 H36 O12 -","- C96 H144 O48 -","4","1","","Hamura, Toshiyuki; Ibusuki, Yousuke; Uekusa, Hidehiro; Matsumoto, Takashi; Siegel, Jay S; Baldridge, Kim K; Suzuki, Keisuke","Dodecamethoxy- and hexaoxotricyclobutabenzene: synthesis and characterization.","Journal of the American Chemical Society","2006","128","31","10032","10033","10.1021/ja064063e","","","0.71073","MoKα","","0.057","0.0472","","","0.117","0.1218","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101566","39.1329","0.0007","9.8179","0.0002","21.5984","0.0005","90","","102.711","0.001","90","","8094.8","0.3","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H53 N9 O4 -","- C40 H53 N9 O4 -","- C320 H424 N72 O32 -","8","1","","Nishiyabu, Ryuhei; Palacios, Manuel A; Dehaen, Wim; Anzenbacher, Jr, Pavel","Synthesis, structure, anion binding, and sensing by calix[4]pyrrole isomers.","Journal of the American Chemical Society","2006","128","35","11496","11504","10.1021/ja0622150","","","0.71073","MoKα","","0.2014","0.0546","","","0.0856","0.1069","","","","","","1.051","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101567","18.1048","0.0004","9.9834","0.0002","22.5666","0.0005","90","","104.564","0.002","90","","3947.79","0.15","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H51 N7 O4 S2 -","- C38 H51 N7 O4 S2 -","- C152 H204 N28 O16 S8 -","4","1","","Nishiyabu, Ryuhei; Palacios, Manuel A; Dehaen, Wim; Anzenbacher, Jr, Pavel","Synthesis, structure, anion binding, and sensing by calix[4]pyrrole isomers.","Journal of the American Chemical Society","2006","128","35","11496","11504","10.1021/ja0622150","","","0.71073","MoKα","","0.1643","0.054","","","0.0955","0.1215","","","","","","0.947","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101568","10.4478","0.0002","32.249","0.0006","10.6105","0.0002","90","","112.259","0.001","90","","3308.6","0.11","268","2","268","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H48 N4 O2 S2 -","- C32 H48 N4 O2 S2 -","- C128 H192 N16 O8 S8 -","4","2","","Nishiyabu, Ryuhei; Palacios, Manuel A; Dehaen, Wim; Anzenbacher, Jr, Pavel","Synthesis, structure, anion binding, and sensing by calix[4]pyrrole isomers.","Journal of the American Chemical Society","2006","128","35","11496","11504","10.1021/ja0622150","","","0.71073","MoKα","","0.1296","0.0709","","","0.1558","0.1843","","","","","","1","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101569","10.4865","0.0003","16.8082","0.0005","19.0923","0.0006","91.479","0.002","102.499","0.002","104.159","0.002","3174.58","0.16","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H80 N14 O -","- C70 H80 N14 O -","- C140 H160 N28 O2 -","2","1","","Nishiyabu, Ryuhei; Palacios, Manuel A; Dehaen, Wim; Anzenbacher, Jr, Pavel","Synthesis, structure, anion binding, and sensing by calix[4]pyrrole isomers.","Journal of the American Chemical Society","2006","128","35","11496","11504","10.1021/ja0622150","","","0.71073","MoKα","","0.2238","0.0717","","","0.1173","0.1555","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101570","25.352","0.001","10.221","0.0004","26.347","0.0013","90","","99.424","0.0018","90","","6735","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 N6 O2 -","- C37 N7 O -","- C296 N56 O8 -","8","2","","Nishiyabu, Ryuhei; Palacios, Manuel A; Dehaen, Wim; Anzenbacher, Jr, Pavel","Synthesis, structure, anion binding, and sensing by calix[4]pyrrole isomers.","Journal of the American Chemical Society","2006","128","35","11496","11504","10.1021/ja0622150","","","0.7107","MoKα","","0.4852","0.2051","","","0.258","0.3176","","","","","","1.888","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101571","10.232","0.019","14.05","0.03","14.11","0.03","106.28","0.03","96.25","0.04","91.27","0.04","1932","6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H17 Cl O2 -","- C23 H17 Cl O2 -","- C92 H68 Cl4 O8 -","4","2","","Liu, Yuanhong; Song, Feijie; Guo, Shenghai","Cleavage of a carbon-carbon triple bond via gold-catalyzed cascade cyclization/oxidative cleavage reactions of (Z)-enynols with molecular oxygen.","Journal of the American Chemical Society","2006","128","35","11332","11333","10.1021/ja062610q","","","0.71073","MoKα","","0.1429","0.065","","","0.1587","0.1804","","","","","","0.764","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101572","11.087","0.004","14.064","0.005","9.473","0.004","90","","96.733","0.007","90","","1466.9","1","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 N O3 -","- C15 H27 N O3 -","- C60 H108 N4 O12 -","4","1","","Denmark, Scott E; Montgomery, Justin I; Kramps, Laurenz A","Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes.","Journal of the American Chemical Society","2006","128","35","11620","11630","10.1021/ja0632759","","","0.71073","MoKα","","0.0614","0.0401","","","0.0937","0.1022","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101573","6.2685","0.0013","12.772","0.003","7.5043","0.0015","90","","111.517","0.004","90","","558.93","0.19","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H22 B N -","- C12 H22 B N -","- C24 H44 B2 N2 -","2","1","","Denmark, Scott E; Montgomery, Justin I; Kramps, Laurenz A","Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes.","Journal of the American Chemical Society","2006","128","35","11620","11630","10.1021/ja0632759","","","0.71073","MoKα","","0.0846","0.0423","","","0.0494","0.0558","","","","","","0.976","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101574","16.734","0.011","8.442","0.006","21.245","0.014","90","","97.969","0.011","90","","2972","3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 N O3 -","- C15 H27 N O3 -","- C120 H216 N8 O24 -","8","2","","Denmark, Scott E; Montgomery, Justin I; Kramps, Laurenz A","Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes.","Journal of the American Chemical Society","2006","128","35","11620","11630","10.1021/ja0632759","","","0.71073","MoKα","","0.1108","0.0457","","","0.0824","0.0994","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101575","9.992","0.003","11.664","0.003","11.986","0.003","67.826","0.004","66.443","0.004","71.059","0.004","1160.7","0.5","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H25 Br2 N O3 -","- C25 H25 Br2 N O3 -","- C50 H50 Br4 N2 O6 -","2","2","","Denmark, Scott E; Montgomery, Justin I; Kramps, Laurenz A","Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes.","Journal of the American Chemical Society","2006","128","35","11620","11630","10.1021/ja0632759","","","0.71073","MoKα","","0.0811","0.0572","","","0.1312","0.1428","","","","","","0.983","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101576","14.355","0.002","6.3934","0.0011","12.899","0.002","90","","114.826","0.003","90","","1074.5","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 B N O0.09 -","- C11 H20 B N O0.087 -","- C44 H80 B4 N4 O0.348 -","4","1","","Denmark, Scott E; Montgomery, Justin I; Kramps, Laurenz A","Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes.","Journal of the American Chemical Society","2006","128","35","11620","11630","10.1021/ja0632759","","","0.71073","MoKα","","0.168","0.0395","","","0.0523","0.0689","","","","","","0.763","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101577","6.257","0.003","14.424","0.006","12.596","0.005","90","","91.932","0.008","90","","1136.2","0.9","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H17 B F3 N -","- C11 H17 B F3 N -","- C44 H68 B4 F12 N4 -","4","1","","Denmark, Scott E; Montgomery, Justin I; Kramps, Laurenz A","Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes.","Journal of the American Chemical Society","2006","128","35","11620","11630","10.1021/ja0632759","","","0.71073","MoKα","","0.2269","0.0728","","","0.1795","0.2237","","","","","","0.907","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101578","4.8131","0.0006","6.4288","0.0008","7.0223","0.0009","83.369","0.002","71.623","0.002","73.364","0.002","197.5","0.04","153","2","153","2","","","","","","","","4","P 1","P 1","1","","","","- B4 Cu Li6 O10 -","- B4 Cu Li6 O10 -","- B4 Cu Li6 O10 -","1","1","","Pan, Shilie; Smit, Jared P; Watkins, Byron; Marvel, Michael R; Stern, Charlotte L; Poeppelmeier, Kenneth R","Synthesis, crystal structure, and nonlinear optical properties of Li6CuB4O10: a congruently melting compound with isolated [CuB4O10]6- units.","Journal of the American Chemical Society","2006","128","35","11631","11634","10.1021/ja0633114","","","0.71073","MoKα","","0.0625","0.0546","","","0.1369","0.1471","","","","","","1.084","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101579","11.725","0.0003","13.025","0.0006","18.709","0.0008","75.877","0.002","87.714","0.003","68.845","0.002","2580.44","0.18","120","","120","","","","","","","","","4","P -1","-P 1","2","","(t-Bu2MeSi)2Sn-Sn(SiMet-Bu2)2C(Ph)=CH","","- C44 H90 Si4 Sn2 -","- C44 H90 Si4 Sn2 -","- C88 H180 Si8 Sn4 -","2","1","","Lee, Vladimir Ya; Fukawa, Tomohide; Nakamoto, Masaaki; Sekiguchi, Akira; Tumanskii, Boris L; Karni, Miriam; Apeloig, Yitzhak","(tBu2MeSi)2Sn=Sn(SiMetBu2)2: a distannene with a >Sn=Sn< double bond that is stable both in the solid state and in solution.","Journal of the American Chemical Society","2006","128","35","11643","11651","10.1021/ja063322x","","","0.7107","MoKα","","0.0422","0.0335","","","0.0881","0.0914","","","","","","1.034","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4101580","14.5782","0.0013","15.0328","0.0014","19.725","0.002","85.231","0.002","89.668","0.002","62.199","0.002","3807.9","0.6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","(Tb~3~N@C~84~)(Ni(OEP) · 2 benzene","(μ ~3~-Nitrido)-η ^6^, η^4^,η^5^-C84 Fullerene)-triterbium (2,3,7,8,12,13,17,18-octaethylporphyrinato)nickel(II) benzene disolvate","","- C132 H56 N5 Ni Tb3 -","- C132 H56 N5 Ni Tb3 -","- C264 H112 N10 Ni2 Tb6 -","2","1","","Beavers, Christine M; Zuo, Tianming; Duchamp, James C; Harich, Kim; Dorn, Harry C; Olmstead, Marilyn M; Balch, Alan L","Tb3N@C84: an improbable, egg-shaped endohedral fullerene that violates the isolated pentagon rule.","Journal of the American Chemical Society","2006","128","35","11352","11353","10.1021/ja063636k","","","0.71073","MoKα","","0.0912","0.047","","","0.0925","0.0976","","","","","","0.814","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101581","11.605","0.003","24.573","0.005","12.733","0.003","90","","114.407","0.004","90","","3306.5","1.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{[4-Me3Si-2,6-(2,6-iPr2-C6H3)2-C6H2]Sn}2","","- C70 H100 O Si2 Sn2 -","- C70 H100 O Si2 Sn2 -","- C140 H200 O2 Si4 Sn4 -","2","0.5","","Fischer, Roland C; Pu, Lihung; Fettinger, James C; Brynda, Marcin A; Power, Philip P","Very large changes in bond length and bond angle in a heavy group 14 element alkyne analogue by modification of a remote ligand substituent.","Journal of the American Chemical Society","2006","128","35","11366","11367","10.1021/ja0637090","","","0.71073","MoKα","","0.1111","0.0557","","","0.1099","0.1246","","","","","","1.002","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101582","16.7809","0.0008","20.8853","0.001","8.7101","0.0004","90","","95.594","0.003","90","","3038.1","0.2","118.1","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C52 H34 F24 N4 O16 Ru4 -","- C52 H52 F24 N4 O16 Ru4 -","- C104 H104 F48 N8 O32 Ru8 -","2","0.25","","Miyasaka, Hitoshi; Izawa, Toru; Takahashi, Nao; Yamashita, Masahiro; Dunbar, Kim R","Long-range ordered magnet of a charge-transfer Ru2(4+)/TCNQ two-dimensional network compound.","Journal of the American Chemical Society","2006","128","35","11358","11359","10.1021/ja063963s","","","0.7107","MoKα","","","0.0452","","","","0.1523","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101583","17.542","0.014","20.644","0.016","8.788","0.007","90","","96.627","0.013","90","","3161","4","117.1","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C52 H30 F28 N4 O16 Ru4 -","- C49.92 H45 F28 N4 O16 Ru4 -","- C99.84 H90 F56 N8 O32 Ru8 -","2","0.25","","Miyasaka, Hitoshi; Izawa, Toru; Takahashi, Nao; Yamashita, Masahiro; Dunbar, Kim R","Long-range ordered magnet of a charge-transfer Ru2(4+)/TCNQ two-dimensional network compound.","Journal of the American Chemical Society","2006","128","35","11358","11359","10.1021/ja063963s","","","0.7107","MoKα","","","0.0678","","","","0.1277","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101584","8.37","0.0003","21.881","0.001","10.1712","0.0006","90","","103.659","0.003","90","","1810.1","0.2","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O2 S2 -","- C19 H24 O2 S2 -","- C76 H96 O8 S8 -","4","1","","Kuninobu, Yoichiro; Kawata, Atsushi; Takai, Kazuhiko","Efficient catalytic insertion of acetylenes into a carbon-carbon single bond of nonstrained cyclic compounds under mild conditions.","Journal of the American Chemical Society","2006","128","35","11368","11369","10.1021/ja064022i","","","0.7107","MoKα","","","0.0743","","","","0.244","","","","","","2.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101585","9.8591","0.0014","10.3245","0.0015","11.3684","0.0017","102.549","0.002","102.129","0.002","117.555","0.002","934.7","0.2","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 O4 -","- C23 H20 O4 -","- C46 H40 O8 -","2","1","","Lian, Jian-Jou; Chen, Po-Chiang; Lin, Yau-Ping; Ting, Hao-Chun; Liu, Rai-Shung","Gold-catalyzed intramolecular [3 + 2]-cycloaddition of arenyne-yne functionalities.","Journal of the American Chemical Society","2006","128","35","11372","11373","10.1021/ja0643826","","","0.71073","MoKα","","0.0596","0.0501","","","0.1488","0.1553","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101586","11.3334","0.0002","14.8825","0.0003","15.6938","0.0004","90","","90","","90","","2647.06","0.1","298","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","GRF002","GRF002","","- C24 H44 O P2 Pd -","- C24 H44 O P2 Pd -","- C96 H176 O4 P8 Pd4 -","4","1","","Fulmer, Gregory R.; Muller, Richard P.; Kemp, Richard A.; Goldberg, Karen I.","Hydrogenolysis of Palladium(II) Hydroxide and Methoxide Pincer Complexes","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1346","","10.1021/ja807936q","","","0.71073","MoKα","","0.0805","0.0391","","","0.0889","0.1082","","","","","","1.036","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101587","11.0895","0.0003","15.69","0.0005","30.3155","0.001","90","","90","","90","","5274.7","0.3","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","GRF003","GRF003","","- C24 H48 O3 P2 Pd -","- C24 H48 O3 P2 Pd -","- C192 H384 O24 P16 Pd8 -","8","1","","Fulmer, Gregory R.; Muller, Richard P.; Kemp, Richard A.; Goldberg, Karen I.","Hydrogenolysis of Palladium(II) Hydroxide and Methoxide Pincer Complexes","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1346","","10.1021/ja807936q","","","0.71073","MoKα","","0.123","0.0537","","","0.1305","0.1602","","","","","","0.967","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101588","9.9429","0.0001","14.7868","0.0002","18.02","0.0003","90","","90","","90","","2649.43","0.06","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","GRF001","GRF001","","- C25 H46 O P2 Pd -","- C25 H46 O P2 Pd -","- C100 H184 O4 P8 Pd4 -","4","1","","Fulmer, Gregory R.; Muller, Richard P.; Kemp, Richard A.; Goldberg, Karen I.","Hydrogenolysis of Palladium(II) Hydroxide and Methoxide Pincer Complexes","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1346","","10.1021/ja807936q","","","0.71073","MoKα","","0.0582","0.0441","","","0.1076","0.1163","","","","","","0.996","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101589","7.2459","0.0004","8.6833","0.0004","11.2308","0.0005","90","","104.73","0.003","90","","683.4","0.06","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 Br O4 -","- C14 H19 Br O4 -","- C28 H38 Br2 O8 -","2","1","","Gao, Shuanhu; Wang, Oiaoling; Chen, Chuo","Synthesis and Structure Revision of Nakiterpiosin","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1410","","10.1021/ja808110d","","","0.7107","MoKα","","0.0388","0.0286","","","0.0577","0.0616","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101590","7.136","0.0002","14.06","0.0004","16.616","0.0005","90","","90","","90","","1667.12","0.08","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Br Cl2 O3 -","- C15 H17 Br Cl2 O3 -","- C60 H68 Br4 Cl8 O12 -","4","1","","Gao, Shuanhu; Wang, Oiaoling; Chen, Chuo","Synthesis and Structure Revision of Nakiterpiosin","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1410","","10.1021/ja808110d","","","0.7107","MoKα","","0.0902","0.044","","","0.0725","0.0846","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101591","10.077","0.003","5.4733","0.0014","9.316","0.002","90","","98.07","0.02","90","","508.7","0.2","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Na6 Sn2 Zn -","- Na6 Sn2 Zn -","- Na12 Sn4 Zn2 -","2","0.25","","Kim, Sung-Jin; Kraus, Florian; Faessler, Thomas F.","Na6ZnSn2, Na4.24K1.76(1)ZnSn2, and Na20Zn8Sn11: Three Intermetallic Structures Containing the Linear {Sn-Zn-Sn}(6-) Unit","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1469","1478","10.1021/ja806737k","","","0.71073","MoKα","","0.032","0.0221","","","0.0437","0.0448","","","","","","0.928","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101592","11.5716","0.0005","9.8617","0.0002","11.382","0.0004","90","","119.334","0.005","90","","1132.32","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- K1.76 Na4.24 Sn2 Zn -","- K1.766 Na4.234 Sn2 Zn -","- K7.064 Na16.936 Sn8 Zn4 -","4","1","","Kim, Sung-Jin; Kraus, Florian; Faessler, Thomas F.","Na6ZnSn2, Na4.24K1.76(1)ZnSn2, and Na20Zn8Sn11: Three Intermetallic Structures Containing the Linear {Sn-Zn-Sn}(6-) Unit","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1469","1478","10.1021/ja806737k","","","0.71073","MoKα","","0.0452","0.0288","","","0.0615","0.0668","","","","","","0.986","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101593","16.1505","0.0014","9.2762","0.0006","27.594","0.002","90","","102.969","0.007","90","","4028.6","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Na20 Sn11 Zn8 -","- Na20 Sn11 Zn8 -","- Na80 Sn44 Zn32 -","4","0.5","","Kim, Sung-Jin; Kraus, Florian; Faessler, Thomas F.","Na6ZnSn2, Na4.24K1.76(1)ZnSn2, and Na20Zn8Sn11: Three Intermetallic Structures Containing the Linear {Sn-Zn-Sn}(6-) Unit","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1469","1478","10.1021/ja806737k","","","0.71073","MoKα","","0.0406","0.0352","","","0.0777","0.0865","","","","","","1.222","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101594","14.601","0.005","9.537","0.004","14.72","0.005","90","","117.062","0.006","90","","1825.5","1.1","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C88 H88 O12 -","4","1","","Koyama, Ichiro; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-Catalyzed {[}4+2] Cycloaddition of Enones with Alkynes","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1350","","10.1021/ja807952r","","","0.71073","MoKα","","0.0823","0.0575","","","0.1446","0.1589","","","","","","1.03","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101595","14.527","0.008","9.394","0.005","15.537","0.008","90","","114.869","0.008","90","","1923.6","1.7","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O3 -","- C24 H24 O3 -","- C96 H96 O12 -","4","1","","Koyama, Ichiro; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-Catalyzed {[}4+2] Cycloaddition of Enones with Alkynes","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1350","","10.1021/ja807952r","","","0.71073","MoKα","","0.0552","0.048","","","0.1372","0.1437","","","","","","1.044","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101596","10.5195","0.0018","10.9929","0.0017","11.5575","0.0015","66.224","0.008","67.551","0.008","76.882","0.009","1126.2","0.3","153.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22.5 H30 N2 Ni O3 -","- C22.5 H30 N2 Ni O3 -","- C45 H60 N4 Ni2 O6 -","2","1","","Koyama, Ichiro; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-Catalyzed {[}4+2] Cycloaddition of Enones with Alkynes","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1350","","10.1021/ja807952r","","","0.7107","MoKα","","","0.0528","","","","0.1608","","","","","","1.147","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101597","9.4768","0.0019","10.58","0.002","31.161","0.006","90","","94.53","0.03","90","","3114.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C144 H112 Cl8 N8 O24 -","8","2","","Liang, Yong; Jiao, Lei; Zhang, Shiwei; Yu, Zhi-Xiang; Xu, Jiaxi","New Insights into the Torquoselectivity of the Staudinger Reaction","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1542","1549","10.1021/ja808046e","","","0.71073","MoKα","","0.1299","0.0569","","","0.1172","0.1313","","","","","","1.01","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101598","16.082","0.003","12.461","0.003","7.8035","0.0016","90","","102.1","0.03","90","","1529","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C72 H56 Cl4 N4 O12 -","4","1","","Liang, Yong; Jiao, Lei; Zhang, Shiwei; Yu, Zhi-Xiang; Xu, Jiaxi","New Insights into the Torquoselectivity of the Staudinger Reaction","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1542","1549","10.1021/ja808046e","","","0.71073","MoKα","","0.0994","0.0434","","","0.0837","0.0901","","","","","","1.012","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101599","11.8743","0.0005","11.8743","0.0005","33.2046","0.0009","90","","90","","90","","4681.8","0.3","150","1","150","1","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C46 H44 B2 F8 Fe N4 P2 -","- C46 H44 B2 F8 Fe N4 P2 -","- C184 H176 B8 F32 Fe4 N16 P8 -","4","0.5","","Mikhailine, Alexandre; Lough, Alan J.; Morris, Robert H.","Efficient Asymmetric Transfer Hydrogenation of Ketones Catalyzed by an Iron Complex Containing a P-N-N-P Tetradentate Ligand Formed by Template Synthesis","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1394","","10.1021/ja809493h","","","0.71073","MoKα","","0.1301","0.0667","","","0.1381","0.1597","","","","","","0.931","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101600","21.049","0.005","14.373","0.005","22.479","0.005","90","","90","","90","","6801","3","93","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H38 Mo O2 Rh2 S4 -","- C34 H38 Mo O2 Rh2 S4 -","- C272 H304 Mo8 O16 Rh16 S32 -","8","1","","Muratsugu, Satoshi; Sodeyama, Keitaro; Kitamura, Fusao; Sugimoto, Manabu; Tsuneyuki, Shinji; Miyashita, Seiji; Kato, Tatsuhisa; Nishihara, Hiroshi","Two-Electron Reduction of a Rh-Mo-Rh Dithiolato Complex To Form a Triplet Ground State Associated with a Change in CO Coordination Mode","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1388","","10.1021/ja8090577","","","0.71069","MoKα","","","0.0354","","","","0.071","","","","","","1.184","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101601","22.7489","0.0017","6.5732","0.0005","7.9998","0.0006","90","","99.563","0.001","90","","1179.61","0.15","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(1H-benzo[d]imidazol-2-yl)-4-iodoaniline","","- C13 H10 I N3 -","- C13 H10 I N3 -","- C52 H40 I4 N12 -","4","1","","Rodriguez-Rodriguez, Cristina; Sanchez de Groot, Natalia; Rimola, Albert; Alvarez-Larena, Angel; Lloveras, Vega; Vidal-Gancedo, Jose; Ventura, Salvador; Vendrell, Josep; Sodupe, Mariona; Gonzalez-Duarte, Pilar","Design, Selection, and Characterization of Thioflavin-Based Intercalation Compounds with Metal Chelating Properties for Application in Alzheimer's Disease","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1436","1451","10.1021/ja806062g","","","0.71073","MoKα","","0.0526","0.0361","","","0.0839","0.1062","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101602","14.7636","0.0015","4.7515","0.0005","18.0167","0.0017","90","","106.323","0.002","90","","1212.9","0.2","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(benzo[d]thiazol-2-yl)-4-iodophenol","","- C13 H8 I N O S -","- C13 H8 I N O S -","- C52 H32 I4 N4 O4 S4 -","4","1","","Rodriguez-Rodriguez, Cristina; Sanchez de Groot, Natalia; Rimola, Albert; Alvarez-Larena, Angel; Lloveras, Vega; Vidal-Gancedo, Jose; Ventura, Salvador; Vendrell, Josep; Sodupe, Mariona; Gonzalez-Duarte, Pilar","Design, Selection, and Characterization of Thioflavin-Based Intercalation Compounds with Metal Chelating Properties for Application in Alzheimer's Disease","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1436","1451","10.1021/ja806062g","","","0.71073","MoKα","","0.071","0.0422","","","0.0924","0.1026","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101603","5.8887","0.0004","14.6161","0.0011","27.273","0.002","90","","90","","90","","2347.4","0.3","294","2","294","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","2-(benzo[d]oxazol-2-yl)-4-iodophenol","","- C13 H8 I N O2 -","- C13 H8 I N O2 -","- C104 H64 I8 N8 O16 -","8","2","","Rodriguez-Rodriguez, Cristina; Sanchez de Groot, Natalia; Rimola, Albert; Alvarez-Larena, Angel; Lloveras, Vega; Vidal-Gancedo, Jose; Ventura, Salvador; Vendrell, Josep; Sodupe, Mariona; Gonzalez-Duarte, Pilar","Design, Selection, and Characterization of Thioflavin-Based Intercalation Compounds with Metal Chelating Properties for Application in Alzheimer's Disease","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1436","1451","10.1021/ja806062g","","","0.71073","MoKα","","0.0977","0.0478","","","0.0802","0.0942","","","","","","0.961","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101604","10.017","0.002","12.087","0.002","12.384","0.003","90","","109.61","0.03","90","","1412.4","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H8 S3 -","- C20 H8 S3 -","- C80 H32 S12 -","4","1","","Jiang, Wei; Zhou, Yan; Geng, Hua; Jiang, Shidong; Yan, Shouke; Hu, Wenping; Wang, Zhaohui; Shuai, Zhigang; Pei, Jian","Solution-Processed, High-Performance Nanoribbon Transistors Based on Dithioperylene","Journal of the American Chemical Society","2011","133","1","1","3","10.1021/ja107599r","","","0.71073","MoKα","","0.088","0.0772","","","0.1892","0.1976","","","","","","1.123","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101605","9.6585","0.0019","4.3731","0.0009","15.436","0.003","90","","98.37","0.03","90","","645","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H8 S2 -","- C20 H8 S2 -","- C40 H16 S4 -","2","0.5","","Jiang, Wei; Zhou, Yan; Geng, Hua; Jiang, Shidong; Yan, Shouke; Hu, Wenping; Wang, Zhaohui; Shuai, Zhigang; Pei, Jian","Solution-Processed, High-Performance Nanoribbon Transistors Based on Dithioperylene","Journal of the American Chemical Society","2011","133","1","1","3","10.1021/ja107599r","","","0.71073","MoKα","","0.064","0.0564","","","0.146","0.1523","","","","","","1.126","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101606","10.9098","0.0004","11.9108","0.0005","11.298","0.0004","90","","113.769","0.002","90","","1343.58","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H34 O8 -","- C30 H34 O8 -","- C60 H68 O16 -","2","1","","Guo, Fenghai; Konkol, Leah C.; Thomson, Regan J.","Enantioselective synthesis of biphenols from 1,4-diketones by traceless central-to-axial chirality exchange.","Journal of the American Chemical Society","2011","133","1","18","20","10.1021/ja108717r","","","1.54178","CuKα","","0.0413","0.0353","","","0.0999","0.1212","","","","","","1.153","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101607","7.588","0.0001","5.816","0.0001","8.8911","0.0002","90","","101.966","0.001","90","","383.854","0.012","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H7 I O2 -","- C7 H7 I O2 -","- C14 H14 I2 O4 -","2","1","","Guo, Fenghai; Konkol, Leah C.; Thomson, Regan J.","Enantioselective synthesis of biphenols from 1,4-diketones by traceless central-to-axial chirality exchange.","Journal of the American Chemical Society","2011","133","1","18","20","10.1021/ja108717r","","","0.71073","MoKα","","0.0188","0.0187","","","0.0483","0.0483","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101608","8.0008","0.0002","19.2436","0.0004","36.6855","0.0008","90","","90","","90","","5648.3","0.2","84","2","84","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 O8 -","- C32 H34 O8 -","- C256 H272 O64 -","8","2","","Guo, Fenghai; Konkol, Leah C.; Thomson, Regan J.","Enantioselective synthesis of biphenols from 1,4-diketones by traceless central-to-axial chirality exchange.","Journal of the American Chemical Society","2011","133","1","18","20","10.1021/ja108717r","","","1.54178","CuKα","","0.1094","0.0971","","","0.2532","0.2642","","","","","","1.073","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101609","8.1103","0.0003","12.5967","0.0005","16.9792","0.0006","90","","90","","90","","1734.65","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl2 O4 -","- C17 H20 Cl2 O4 -","- C68 H80 Cl8 O16 -","4","1","","Guo, Fenghai; Konkol, Leah C.; Thomson, Regan J.","Enantioselective synthesis of biphenols from 1,4-diketones by traceless central-to-axial chirality exchange.","Journal of the American Chemical Society","2011","133","1","18","20","10.1021/ja108717r","","","1.54178","CuKα","","0.0601","0.0492","","","0.1242","0.1298","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101610","8.96","0.003","9.118","0.002","11.358","0.004","78.117","0.012","85.055","0.013","62.857","0.009","808","0.4","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O -","- C22 H20 O -","- C44 H40 O2 -","2","1","","Kondo, Masataka; Kochi, Takuya; Kakiuchi, Fumitoshi","Rhodium-catalyzed anti-Markovnikov intermolecular hydroalkoxylation of terminal acetylenes.","Journal of the American Chemical Society","2011","133","1","32","34","10.1021/ja1097385","","","0.7107","MoKα","","0.0408","0.035","","","0.0954","0.098","","","","","","1.103","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4101611","23.73","0.007","51.137","0.015","23.859","0.008","90","","90.629","0.008","90","","28951","15","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C338 H258 N8 Ni2 O16 -","- C338 H258 N8 Ni2 O16 -","- C1352 H1032 N32 Ni8 O64 -","4","1","","Davis, Nicola K. S.; Thompson, Amber L.; Anderson, Harry L.","A porphyrin fused to four anthracenes.","Journal of the American Chemical Society","2011","133","1","30","31","10.1021/ja109671f","","","0.6889","Synchrotron","","0.1292","0.0966","","0.2979","0.255","0.2978","","","","","","1.0382","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101612","13.2896","0.0014","5.7582","0.0006","15.3496","0.0016","90","","106.088","0.001","90","","1128.6","0.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 O S2 -","- C12 H12 O S2 -","- C48 H48 O4 S8 -","4","2","","Fujisaki, Junichi; Matsumoto, Kenji; Matsumoto, Kazuhiro; Katsuki, Tsutomu","Catalytic asymmetric oxidation of cyclic dithioacetals: highly diastereo- and enantioselective synthesis of the S-oxides by a chiral aluminum(salalen) complex","Journal of the American Chemical Society","2011","133","1","56","61","10.1021/ja106877x","","","0.71073","MoKα","","0.0186","0.0184","","","0.0499","0.0501","","","","","","1.061","","","","has coordinates","210877","2020-10-21","18:00:00",""
"4101613","9.0294","0.0005","9.6581","0.0005","19.4301","0.001","79.283","0.001","79.355","0.001","79.77","0.001","1618.13","0.15","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 I N O -","- C16 H20 I N O -","- C64 H80 I4 N4 O4 -","4","2","","Guthrie, David B.; Geib, Steven J.; Curran, Dennis P.","Radical and Heck cyclizations of diastereomeric o-haloanilide atropisomers.","Journal of the American Chemical Society","2011","133","1","115","122","10.1021/ja108795x","","","0.71073","MoKα","","0.0627","0.049","","","0.141","0.1482","","","","","","1.184","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101614","9.3192","0.0003","9.4812","0.0003","19.0469","0.0007","98.053","0.001","96.624","0.001","101.069","0.001","1617.72","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 I N O -","- C16 H20 I N O -","- C64 H80 I4 N4 O4 -","4","2","","Guthrie, David B.; Geib, Steven J.; Curran, Dennis P.","Radical and Heck cyclizations of diastereomeric o-haloanilide atropisomers.","Journal of the American Chemical Society","2011","133","1","115","122","10.1021/ja108795x","","","0.71073","MoKα","","0.0536","0.039","","","0.1177","0.1298","","","","","","1.039","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101615","9.7112","0.0015","11.6237","0.0017","14.127","0.002","90","","94.332","0.003","90","","1590.1","0.4","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 I N O3 -","- C16 H18 I N O3 -","- C64 H72 I4 N4 O12 -","4","1","","Guthrie, David B.; Geib, Steven J.; Curran, Dennis P.","Radical and Heck cyclizations of diastereomeric o-haloanilide atropisomers.","Journal of the American Chemical Society","2011","133","1","115","122","10.1021/ja108795x","","","0.71073","MoKα","","0.0433","0.0362","","","0.1071","0.1128","","","","","","0.996","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101616","11.4534","0.0007","16.2945","0.001","22.1655","0.0013","90","","90.677","0.001","90","","4136.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29.66 H10 B Cl4 N10.33 Re -","- C29.66 H10 B Cl4 Cu N10.33 Re -","- C118.64 H40 B4 Cl16 Cu4 N41.32 Re4 -","4","1","","Harris, T. David; Coulon, Claude; Clérac, Rodolphe; Long, Jeffrey R.","Record ferromagnetic exchange through cyanide and elucidation of the magnetic phase diagram for a Cu(II)Re(IV)(CN)2 chain compound.","Journal of the American Chemical Society","2011","133","1","123","130","10.1021/ja108575t","","","0.7749","synchrotron","","0.0717","0.0684","","","0.1882","0.1889","","","","","","2.824","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101617","14.185","0.003","22.009","0.004","12.008","0.002","90","","110.853","0.003","90","","3503.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H10 Cl3 Co F15 N4 -","- C38 H10 Cl3 Co F15 N4 -","- C152 H40 Cl12 Co4 F60 N16 -","4","1","","Dogutan, Dilek K.; Stoian, Sebastian A.; McGuire, Jr, Robert; Schwalbe, Matthias; Teets, Thomas S.; Nocera, Daniel G.","Hangman corroles: efficient synthesis and oxygen reaction chemistry.","Journal of the American Chemical Society","2011","133","1","131","140","10.1021/ja108904s","","","0.71073","MoKα","","0.0812","0.0589","","","0.149","0.1704","","","","","","1.052","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101618","12.5672","0.0004","14.0364","0.0005","18.2951","0.0006","68.058","0.002","87.816","0.002","73.334","0.002","2859.03","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H81 N4 O3 -","- C70 H81 N4 O3 -","- C140 H162 N8 O6 -","2","1","","Dogutan, Dilek K.; Stoian, Sebastian A.; McGuire, Jr, Robert; Schwalbe, Matthias; Teets, Thomas S.; Nocera, Daniel G.","Hangman corroles: efficient synthesis and oxygen reaction chemistry.","Journal of the American Chemical Society","2011","133","1","131","140","10.1021/ja108904s","","","1.54178","CuKα","","0.0818","0.0694","","","0.1956","0.2093","","","","","","1.032","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101619","8.517","0.0003","17.212","0.0005","19.8004","0.0006","111.439","0.002","96.92","0.002","102.502","0.002","2573.31","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H54 F10 N4 O3 -","- C61 H54 F10 N4 O3 -","- C122 H108 F20 N8 O6 -","2","1","","Dogutan, Dilek K.; Stoian, Sebastian A.; McGuire, Jr, Robert; Schwalbe, Matthias; Teets, Thomas S.; Nocera, Daniel G.","Hangman corroles: efficient synthesis and oxygen reaction chemistry.","Journal of the American Chemical Society","2011","133","1","131","140","10.1021/ja108904s","","","1.54178","CuKα","","0.0544","0.0488","","","0.1394","0.1465","","","","","","1.058","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101620","15.3624","0.0007","16.4958","0.0007","18.56","0.0008","90","","90","","90","","4703.4","0.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H76 B N6 O Si2 Y -","- C39 H76 B N6 O Si2 Y -","- C156 H304 B4 N24 O4 Si8 Y4 -","4","1","","Cheng, Jianhua; Ferguson, Michael J.; Takats, Josef","Synthesis and reaction of [(Tp(iPr2))LnH2]3 (Ln = Y, Lu) with CO: trinuclear cluster-bound propenolate en route to selective formation of propene.","Journal of the American Chemical Society","2010","132","1","2","3","10.1021/ja905679k","","","0.71073","MoKα","","0.0484","0.0328","","","0.0629","0.0674","","","","","","0.974","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101621","15.331","0.0013","16.5053","0.0014","18.4712","0.0016","90","","90","","90","","4674","0.7","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H76 B Lu N6 O Si2 -","- C39 H76 B Lu N6 O Si2 -","- C156 H304 B4 Lu4 N24 O4 Si8 -","4","1","","Cheng, Jianhua; Ferguson, Michael J.; Takats, Josef","Synthesis and reaction of [(Tp(iPr2))LnH2]3 (Ln = Y, Lu) with CO: trinuclear cluster-bound propenolate en route to selective formation of propene.","Journal of the American Chemical Society","2010","132","1","2","3","10.1021/ja905679k","","","0.71073","MoKα","","0.0164","0.0155","","","0.0386","0.0389","","","","","","1.035","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101622","17.824","0.0011","18.0259","0.0011","31.3594","0.0019","90","","90","","90","","10075.6","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C87 H158 B3 N18 Y3 -","- C81 H144 B3 N18 Y3 -","- C324 H576 B12 N72 Y12 -","4","1","","Cheng, Jianhua; Ferguson, Michael J.; Takats, Josef","Synthesis and reaction of [(Tp(iPr2))LnH2]3 (Ln = Y, Lu) with CO: trinuclear cluster-bound propenolate en route to selective formation of propene.","Journal of the American Chemical Society","2010","132","1","2","3","10.1021/ja905679k","","","0.71073","MoKα","","0.0413","0.0317","","","0.0698","0.0721","","","","","","0.984","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101623","17.8179","0.0009","17.9008","0.0009","31.1982","0.0015","90","","90","","90","","9950.8","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C87 H158 B3 Lu3 N18 -","- C81 H144 B3 Lu3 N18 -","- C324 H576 B12 Lu12 N72 -","4","1","","Cheng, Jianhua; Ferguson, Michael J.; Takats, Josef","Synthesis and reaction of [(Tp(iPr2))LnH2]3 (Ln = Y, Lu) with CO: trinuclear cluster-bound propenolate en route to selective formation of propene.","Journal of the American Chemical Society","2010","132","1","2","3","10.1021/ja905679k","","","0.71073","MoKα","","0.0204","0.0186","","","0.0432","0.0438","","","","","","1.037","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101624","17.0572","0.0008","19.6657","0.0009","20.5279","0.0009","97.1478","0.0006","106.822","0.0006","109.729","0.0006","6012.9","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H180 B3 N18 O5 Si4 Y3 -","- C96 H180 B3 N18 O5 Si4 Y3 -","- C192 H360 B6 N36 O10 Si8 Y6 -","2","1","","Cheng, Jianhua; Ferguson, Michael J.; Takats, Josef","Synthesis and reaction of [(Tp(iPr2))LnH2]3 (Ln = Y, Lu) with CO: trinuclear cluster-bound propenolate en route to selective formation of propene.","Journal of the American Chemical Society","2010","132","1","2","3","10.1021/ja905679k","","","0.71073","MoKα","","0.0721","0.0469","","","0.1214","0.1365","","","","","","1.029","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101625","8.6884","0.0002","12.1203","0.0003","11.8457","0.0002","90","","114.301","0.001","90","","1136.9","0.04","173","2","173","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Penkett, Clive S.; Woolford, Jason A.; Day, Iain J.; Coles, Martyn P.","The double [3 + 2] photocycloaddition reaction.","Journal of the American Chemical Society","2010","132","1","4","5","10.1021/ja906163s","","x-ray","0.71073","MoKα","","0.0421","0.0388","","","0.0997","0.1022","","","","","","1.05","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101626","11.6012","0.0003","11.6012","0.0003","11.6012","0.0003","90","","90","","90","","1561.38","0.07","105","2","100","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","tetramethylammonium copper(I) zinc cyanide","tetramethylammonium copper(I) zinc cyanide","","- C8 H12 Cu N5 Zn -","- C8 H11.9997 Cu N5 Zn -","- C32 H47.9988 Cu4 N20 Zn4 -","4","0.333333","","Phillips, Anthony E.; Halder, Gregory J.; Chapman, Karena W.; Goodwin, Andrew L.; Kepert, Cameron J.","Zero thermal expansion in a flexible, stable framework: tetramethylammonium copper(I) zinc(II) cyanide.","Journal of the American Chemical Society","2010","132","1","10","11","10.1021/ja906895j","","","0.71073","MoKα","","0.0235","0.0222","","","0.0525","0.0533","","","","","","1.235","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101627","11.6247","0.0007","11.6247","0.0007","11.6247","0.0007","90","","90","","90","","1570.89","0.16","150","2","150","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","tetramethylammonium copper(I) zinc cyanide","tetramethylammonium copper(I) zinc cyanide","","- C8 H12 Cu N5 Zn -","- C8 H23.9976 Cu N5 Zn -","- C32 H95.9904 Cu4 N20 Zn4 -","4","0.0416667","","Phillips, Anthony E.; Halder, Gregory J.; Chapman, Karena W.; Goodwin, Andrew L.; Kepert, Cameron J.","Zero thermal expansion in a flexible, stable framework: tetramethylammonium copper(I) zinc(II) cyanide.","Journal of the American Chemical Society","2010","132","1","10","11","10.1021/ja906895j","","","0.71073","MoKα","","0.0246","0.019","","","0.0479","0.0532","","","","","","1.097","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101628","11.6269","0.0009","11.6269","0.0009","11.6269","0.0009","90","","90","","90","","1571.8","0.2","231","2","225","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","tetramethylammonium copper(I) zinc cyanide","tetramethylammonium copper(I) zinc cyanide","","- C8 H12 Cu N5 Zn -","- C8 H23.9976 Cu N5 Zn -","- C32 H95.9904 Cu4 N20 Zn4 -","4","0.0416667","","Phillips, Anthony E.; Halder, Gregory J.; Chapman, Karena W.; Goodwin, Andrew L.; Kepert, Cameron J.","Zero thermal expansion in a flexible, stable framework: tetramethylammonium copper(I) zinc(II) cyanide.","Journal of the American Chemical Society","2010","132","1","10","11","10.1021/ja906895j","","","0.71073","MoKα","","0.0221","0.0164","","","0.0429","0.049","","","","","","1.168","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101629","11.6282","0.0008","11.6282","0.0008","11.6282","0.0008","90","","90","","90","","1572.31","0.19","300","2","300","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","tetramethylammonium copper(I) zinc cyanide","tetramethylammonium copper(I) zinc cyanide","","- C8 H12 Cu N5 Zn -","- C8 H23.9976 Cu N5 Zn -","- C32 H95.9904 Cu4 N20 Zn4 -","4","0.0416667","","Phillips, Anthony E.; Halder, Gregory J.; Chapman, Karena W.; Goodwin, Andrew L.; Kepert, Cameron J.","Zero thermal expansion in a flexible, stable framework: tetramethylammonium copper(I) zinc(II) cyanide.","Journal of the American Chemical Society","2010","132","1","10","11","10.1021/ja906895j","","","0.71073","MoKα","","0.0246","0.0184","","","0.0453","0.0502","","","","","","1.061","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101630","11.6312","0.0006","11.6312","0.0006","11.6312","0.0006","90","","90","","90","","1573.52","0.14","375","2","375","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","tetramethylammonium copper(I) zinc cyanide","tetramethylammonium copper(I) zinc cyanide","","- C8 H12 Cu N5 Zn -","- C8 H23.9976 Cu N5 Zn -","- C32 H95.9904 Cu4 N20 Zn4 -","4","0.0416667","","Phillips, Anthony E.; Halder, Gregory J.; Chapman, Karena W.; Goodwin, Andrew L.; Kepert, Cameron J.","Zero thermal expansion in a flexible, stable framework: tetramethylammonium copper(I) zinc(II) cyanide.","Journal of the American Chemical Society","2010","132","1","10","11","10.1021/ja906895j","","","0.71073","MoKα","","0.0283","0.0208","","","0.0509","0.0561","","","","","","1.088","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101631","18.286","0.003","18.286","0.003","49.079","0.01","90","","90","","120","","14212","4","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C62 H135 Fe0.5 Mo9 N5.5 O30 -","- C62 H135 Fe0.5 Mo9 N5.5 O30 -","- C372 H810 Fe3 Mo54 N33 O180 -","6","1","","Zhang, Jin; Hao, Jian; Wei, Yongge; Xiao, Fengping; Yin, Panchao; Wang, Longsheng","Nanoscale chiral rod-like molecular triads assembled from achiral polyoxometalates.","Journal of the American Chemical Society","2010","132","1","14","15","10.1021/ja907535g","","","0.71073","MoKα","","0.0761","0.0644","","","0.1602","0.1689","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101632","18.174","0.003","18.174","0.003","49.125","0.01","90","","90","","120","","14052","4","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C62 H135 Mn0.5 Mo9 N5.5 O30 -","- C62 H135 Mn0.5 Mo9 N5.5 O30 -","- C372 H810 Mn3 Mo54 N33 O180 -","6","1","","Zhang, Jin; Hao, Jian; Wei, Yongge; Xiao, Fengping; Yin, Panchao; Wang, Longsheng","Nanoscale chiral rod-like molecular triads assembled from achiral polyoxometalates.","Journal of the American Chemical Society","2010","132","1","14","15","10.1021/ja907535g","","","0.71073","MoKα","","0.0845","0.0568","","","0.1275","0.1434","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101633","20.1518","0.0009","20.1518","0.0009","7.9277","0.0009","90","","90","","120","","2788.1","0.4","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C36 H30 I9 N9 O6 Pb3 -","- C36 H30 I9 N9 O6 Pb3 -","- C72 H60 I18 N18 O12 Pb6 -","2","0.333333","","Zhao, Hai-Rong; Li, Dong-Ping; Ren, Xiao-Ming; Song, You; Jin, Wan-Qin","Larger spontaneous polarization ferroelectric inorganic-organic hybrids: [PbI3](infinity) chains directed organic cations aggregation to Kagomé-shaped tubular architecture.","Journal of the American Chemical Society","2010","132","1","18","19","10.1021/ja907562m","","","0.71073","MoKα","","0.0389","0.025","","","0.0425","0.0455","","","","","","1.007","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101634","20.028","0.0012","20.028","0.0012","8.0181","0.0009","90","","90","","120","","2785.3","0.4","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C36 H30 Br3 I9 N6 Pb3 -","- C36 H30 Br3 I9 N6 Pb3 -","- C72 H60 Br6 I18 N12 Pb6 -","2","0.333333","","Zhao, Hai-Rong; Li, Dong-Ping; Ren, Xiao-Ming; Song, You; Jin, Wan-Qin","Larger spontaneous polarization ferroelectric inorganic-organic hybrids: [PbI3](infinity) chains directed organic cations aggregation to Kagomé-shaped tubular architecture.","Journal of the American Chemical Society","2010","132","1","18","19","10.1021/ja907562m","","","0.71073","MoKα","","0.0997","0.075","","","0.1893","0.1987","","","","","","1.037","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101635","20.025","0.003","20.025","0.003","7.975","0.0016","90","","90","","120","","2769.5","0.8","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C12 H10 Cl I3 N2 Pb -","- C12 H10 Cl I3 N2 Pb -","- C72 H60 Cl6 I18 N12 Pb6 -","6","1","","Zhao, Hai-Rong; Li, Dong-Ping; Ren, Xiao-Ming; Song, You; Jin, Wan-Qin","Larger spontaneous polarization ferroelectric inorganic-organic hybrids: [PbI3](infinity) chains directed organic cations aggregation to Kagomé-shaped tubular architecture.","Journal of the American Chemical Society","2010","132","1","18","19","10.1021/ja907562m","","","0.71073","MoKα","","0.0974","0.0548","","","0.1128","0.1336","","","","","","1.072","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101636","19.9426","0.0006","19.9426","0.0006","7.8618","0.0003","90","","90","","120","","2707.8","0.15","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C36 H30 F3 I9 N6 Pb3 -","- C36 H30 F3 I9 N6 Pb3 -","- C72 H60 F6 I18 N12 Pb6 -","2","0.333333","","Zhao, Hai-Rong; Li, Dong-Ping; Ren, Xiao-Ming; Song, You; Jin, Wan-Qin","Larger spontaneous polarization ferroelectric inorganic-organic hybrids: [PbI3](infinity) chains directed organic cations aggregation to Kagomé-shaped tubular architecture.","Journal of the American Chemical Society","2010","132","1","18","19","10.1021/ja907562m","","","0.71073","MoKα","","0.0532","0.0304","","","0.057","0.0593","","","","","","0.888","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101637","6.6869","0.0012","13.862","0.003","13.166","0.002","90","","97.899","0.004","90","","1208.8","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","2","","Zhang, Chun; Jiao, Ning","Dioxygen activation under ambient conditions: Cu-catalyzed oxidative amidation-diketonization of terminal alkynes leading to alpha-ketoamides.","Journal of the American Chemical Society","2010","132","1","28","29","10.1021/ja908911n","","","0.71073","MoKα","","0.0489","0.0427","","","0.1086","0.113","","","","","","0.992","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101638","35.441","0.009","14.902","0.004","30.925","0.011","90","","102.795","0.011","90","","15927","8","80","2","80","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56.57 H58.44 I6 N12 O0.56 Zn3 -","- C55.662 H56.592 I6 N12 O0.561 Zn3 -","- C445.296 H452.736 I48 N96 O4.488 Zn24 -","8","1","","Ohara, Kazuaki; Kawano, Masaki; Inokuma, Yasuhide; Fujita, Makoto","A porous coordination network catalyzes an olefin isomerization reaction in the pore.","Journal of the American Chemical Society","2010","132","1","30","31","10.1021/ja908794n","","","0.6889","Synchrotron","","0.1388","0.0684","","","0.1728","0.2215","","","","","","1.053","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101639","15.4355","0.0018","15.4355","0.0018","22.775","0.005","90","","90","","90","","5426.2","1.5","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","bio-MOF-11","","","- C7 H7 Co N5 O2 -","- C7 H7 Co N5 O2 -","- C112 H112 Co16 N80 O32 -","16","1","","An, Jihyun; Geib, Steven J; Rosi, Nathaniel L","High and selective CO2 uptake in a cobalt adeninate metal-organic framework exhibiting pyrimidine- and amino-decorated pores.","Journal of the American Chemical Society","2010","132","1","38","39","10.1021/ja909169x","","","0.71073","MoKα","","0.1371","0.1047","","","0.2834","0.2974","","","","","","2.388","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101640","22.3571","0.0005","23.4069","0.0005","21.3354","0.0004","90","","90","","90","","11165","0.4","120","","120","","","","","","","","","7","P n 21 a","P -2ac -2n","33","","","","- C53 H93 Co N5 O2 P3 Zr -","- C53 H93 Co N5 O2 P3 Zr -","- C424 H744 Co8 N40 O16 P24 Zr8 -","8","2","","Greenwood, Bennett P.; Rowe, Gerard T.; Chen, Chun-Hsing; Foxman, Bruce M.; Thomas, Christine M.","Metal-metal multiple bonds in early/late heterobimetallics support unusual trigonal monopyramidal geometries at both Zr and Co.","Journal of the American Chemical Society","2010","132","1","44","45","10.1021/ja909310t","","","0.71073","MoKα","","0.0726","0.0423","","0.1114","0.088","0.1114","","","","","","0.9614","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101641","18.2757","0.0006","18.2757","0.0006","18.1771","0.0006","90","","90","","120","","5257.8","0.3","120","","120","","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C27 H63 Co N5 P3 Zr -","- C27 H63 Co N5 P3 Zr -","- C162 H378 Co6 N30 P18 Zr6 -","6","1","","Greenwood, Bennett P.; Rowe, Gerard T.; Chen, Chun-Hsing; Foxman, Bruce M.; Thomas, Christine M.","Metal-metal multiple bonds in early/late heterobimetallics support unusual trigonal monopyramidal geometries at both Zr and Co.","Journal of the American Chemical Society","2010","132","1","44","45","10.1021/ja909310t","","","0.71073","MoKα","","0.0771","0.0402","","0.0915","0.0829","0.0915","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101642","11.9572","0.0005","21.3291","0.0008","40.224","0.0015","90","","92.592","0.002","90","","10248.1","0.7","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C100 H171 Co2 N6 O2.5 P6 Zr2 -","- C100 H171 Co2 N6 O2.5 P6 Zr2 -","- C400 H684 Co8 N24 O10 P24 Zr8 -","4","1","","Greenwood, Bennett P.; Rowe, Gerard T.; Chen, Chun-Hsing; Foxman, Bruce M.; Thomas, Christine M.","Metal-metal multiple bonds in early/late heterobimetallics support unusual trigonal monopyramidal geometries at both Zr and Co.","Journal of the American Chemical Society","2010","132","1","44","45","10.1021/ja909310t","","","0.71073","MoKα","","0.0777","0.0424","","0.0853","0.0788","0.0853","","","","","","1.0036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101643","30.221","0.011","30.221","0.011","23.645","0.012","90","","90","","90","","21595","16","100","2","100","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C35 H43 Li N O6 P Pd S2 -","- C35 H43 Li N O6 P Pd S2 -","- C560 H688 Li16 N16 O96 P16 Pd16 S32 -","16","1","","Shen, Zhongliang; Jordan, Richard F.","Self-assembled tetranuclear palladium catalysts that produce high molecular weight linear polyethylene.","Journal of the American Chemical Society","2010","132","1","52","53","10.1021/ja909473y","","","0.71073","MoKα","","0.0955","0.0603","","","0.1607","0.1708","","","","","","0.871","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101644","10.704","0.005","34.391","0.015","14.836","0.006","90","","90.933","0.007","90","","5461","4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C50 H72.5 Cl1.5 Li N3 O10 P Pd S2 -","- C49.78 H72.56 Cl1.56 Li N3 O10 P Pd S2 -","- C199.12 H290.24 Cl6.24 Li4 N12 O40 P4 Pd4 S8 -","4","1","","Shen, Zhongliang; Jordan, Richard F.","Self-assembled tetranuclear palladium catalysts that produce high molecular weight linear polyethylene.","Journal of the American Chemical Society","2010","132","1","52","53","10.1021/ja909473y","","","0.71073","MoKα","","0.2595","0.0868","","","0.178","0.2418","","","","","","0.918","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101645","9.764","0.005","14.101","0.007","18.639","0.007","90","","110.23","0.02","90","","2408","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 Cl4 O12 P2 Pd2 S4 -","- C42 H38 Cl4 O12 P2 Pd2 S4 -","- C84 H76 Cl8 O24 P4 Pd4 S8 -","2","0.5","","Shen, Zhongliang; Jordan, Richard F.","Self-assembled tetranuclear palladium catalysts that produce high molecular weight linear polyethylene.","Journal of the American Chemical Society","2010","132","1","52","53","10.1021/ja909473y","","","0.71073","MoKα","","0.0682","0.0463","","","0.0903","0.0962","","","","","","0.997","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101646","12.3776","0.0003","14.4722","0.0004","19.919","0.0006","90","","92.9745","0.001","90","","3563.31","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H35 N Ni O P2 -","- C44 H35 N Ni O P2 -","- C176 H140 N4 Ni4 O4 P8 -","4","1","","Yamauchi, Motoshi; Morimoto, Masao; Miura, Tomoya; Murakami, Masahiro","Enantioselective synthesis of 3,4-dihydroisoquinolin-1(2H)-ones by nickel-catalyzed denitrogenative annulation of 1,2,3-benzotriazin-4(3H)-ones with allenes.","Journal of the American Chemical Society","2010","132","1","54","55","10.1021/ja909603j","","","0.71075","MoKα","","0.0343","0.0295","","","0.0784","0.0814","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101647","11.4536","0.0019","14.49","0.002","16.233","0.003","97.87","0.002","98.337","0.002","106.382","0.002","2512.1","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H73 Fe N4 O Sc Si2 -","- C52 H73 Fe N4 O Sc Si2 -","- C104 H146 Fe2 N8 O2 Sc2 Si4 -","2","1","","Miller, Kevin L.; Williams, Bryan N.; Benitez, Diego; Carver, Colin T.; Ogilby, Kevin R.; Tkatchouk, Ekaterina; Goddard, 3rd, William A.; Diaconescu, Paula L.","Dearomatization reactions of N-heterocycles mediated by group 3 complexes.","Journal of the American Chemical Society","2010","132","1","342","355","10.1021/ja908489p","","","0.71073","MoKα","","0.0948","0.0581","","","0.1341","0.153","","","","","","1.024","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101648","14.3694","0.0013","16.5282","0.0014","19.6525","0.0017","90","","90","","90","","4667.5","0.7","125","2","125","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C49 H63 Fe N4 Si2 Y -","- C49 H63 Fe N4 Si2 Y -","- C196 H252 Fe4 N16 Si8 Y4 -","4","1","","Miller, Kevin L.; Williams, Bryan N.; Benitez, Diego; Carver, Colin T.; Ogilby, Kevin R.; Tkatchouk, Ekaterina; Goddard, 3rd, William A.; Diaconescu, Paula L.","Dearomatization reactions of N-heterocycles mediated by group 3 complexes.","Journal of the American Chemical Society","2010","132","1","342","355","10.1021/ja908489p","","","0.71073","MoKα","","0.085","0.0469","","","0.0859","0.0979","","","","","","0.961","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101649","13.908","0.002","13.942","0.005","14.914","0.003","95.659","0.002","116.825","0.002","98.466","0.002","2507.6","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H64 Fe Lu N5 Si2 -","- C52 H64 Fe Lu N5 Si2 -","- C104 H128 Fe2 Lu2 N10 Si4 -","2","1","","Miller, Kevin L.; Williams, Bryan N.; Benitez, Diego; Carver, Colin T.; Ogilby, Kevin R.; Tkatchouk, Ekaterina; Goddard, 3rd, William A.; Diaconescu, Paula L.","Dearomatization reactions of N-heterocycles mediated by group 3 complexes.","Journal of the American Chemical Society","2010","132","1","342","355","10.1021/ja908489p","","","0.71073","MoKα","","0.042","0.0316","","","0.0658","0.0694","","","","","","1.004","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101650","24.396","0.01","11.83","0.005","16.723","0.007","90","","90","","90","","4826","3","101","2","101","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C50 H67 Fe Lu N4 O Si2 -","- C50 H67 Fe Lu N4 O Si2 -","- C200 H268 Fe4 Lu4 N16 O4 Si8 -","4","1","","Miller, Kevin L.; Williams, Bryan N.; Benitez, Diego; Carver, Colin T.; Ogilby, Kevin R.; Tkatchouk, Ekaterina; Goddard, 3rd, William A.; Diaconescu, Paula L.","Dearomatization reactions of N-heterocycles mediated by group 3 complexes.","Journal of the American Chemical Society","2010","132","1","342","355","10.1021/ja908489p","","","0.71073","MoKα","","0.086","0.0454","","","0.068","0.0789","","","","","","0.978","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101651","10.065","0.003","29.126","0.007","14.029","0.004","90","","100.204","0.003","90","","4047.6","1.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H62 Fe N3 O2 Si2 Y -","- C39 H62 Fe N3 O2 Si2 Y -","- C156 H248 Fe4 N12 O8 Si8 Y4 -","4","1","","Miller, Kevin L.; Williams, Bryan N.; Benitez, Diego; Carver, Colin T.; Ogilby, Kevin R.; Tkatchouk, Ekaterina; Goddard, 3rd, William A.; Diaconescu, Paula L.","Dearomatization reactions of N-heterocycles mediated by group 3 complexes.","Journal of the American Chemical Society","2010","132","1","342","355","10.1021/ja908489p","","","0.71073","MoKα","","0.1139","0.0521","","","0.0911","0.1082","","","","","","0.983","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101652","45.634","0.013","9.376","0.003","20.379","0.006","90","","99.243","0.003","90","","8606","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H62 Fe La N3 O Si2 -","- C44 H62 Fe La N3 O Si2 -","- C352 H496 Fe8 La8 N24 O8 Si16 -","8","1","","Miller, Kevin L.; Williams, Bryan N.; Benitez, Diego; Carver, Colin T.; Ogilby, Kevin R.; Tkatchouk, Ekaterina; Goddard, 3rd, William A.; Diaconescu, Paula L.","Dearomatization reactions of N-heterocycles mediated by group 3 complexes.","Journal of the American Chemical Society","2010","132","1","342","355","10.1021/ja908489p","","","0.71073","MoKα","","0.1001","0.0497","","","0.0766","0.0907","","","","","","0.991","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101653","19.018","0.003","17.284","0.003","11.281","0.002","90","","90","","90","","3708.1","1.1","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C35 H57 Fe La N2 O Si2 -","- C35 H57 Fe La N2 O Si2 -","- C140 H228 Fe4 La4 N8 O4 Si8 -","4","1","","Miller, Kevin L.; Williams, Bryan N.; Benitez, Diego; Carver, Colin T.; Ogilby, Kevin R.; Tkatchouk, Ekaterina; Goddard, 3rd, William A.; Diaconescu, Paula L.","Dearomatization reactions of N-heterocycles mediated by group 3 complexes.","Journal of the American Chemical Society","2010","132","1","342","355","10.1021/ja908489p","","","0.71073","MoKα","","0.0565","0.0364","","","0.0601","0.0657","","","","","","1.006","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101654","39.536","0.004","47.303","0.004","11.3457","0.001","90","","90","","90","","21218","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C57 H70 Fe N5 Si2 Y -","- C57 H70 Fe N5 Si2 Y -","- C912 H1120 Fe16 N80 Si32 Y16 -","16","1","","Miller, Kevin L.; Williams, Bryan N.; Benitez, Diego; Carver, Colin T.; Ogilby, Kevin R.; Tkatchouk, Ekaterina; Goddard, 3rd, William A.; Diaconescu, Paula L.","Dearomatization reactions of N-heterocycles mediated by group 3 complexes.","Journal of the American Chemical Society","2010","132","1","342","355","10.1021/ja908489p","","","0.71073","MoKα","","0.0961","0.0579","","","0.1185","0.1336","","","","","","1.001","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101655","27.282","0.003","13.0297","0.0015","14.8077","0.0017","90","","99.407","0.001","90","","5193","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H54 Fe N5 Si2 Y -","- C37 H54 Fe N5 Si2 Y -","- C148 H216 Fe4 N20 Si8 Y4 -","4","0.5","","Miller, Kevin L.; Williams, Bryan N.; Benitez, Diego; Carver, Colin T.; Ogilby, Kevin R.; Tkatchouk, Ekaterina; Goddard, 3rd, William A.; Diaconescu, Paula L.","Dearomatization reactions of N-heterocycles mediated by group 3 complexes.","Journal of the American Chemical Society","2010","132","1","342","355","10.1021/ja908489p","","","0.71073","MoKα","","0.0988","0.0627","","","0.2125","0.2318","","","","","","1.196","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101656","7.5973","0.0006","12.6018","0.001","34.196","0.002","90","","90","","90","","3273.9","0.4","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H37 Br Cl2 O9 -","- C31 H37 Br Cl2 O9 -","- C124 H148 Br4 Cl8 O36 -","4","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.71074","MoKα","","0.1841","0.1098","","","0.2106","0.2289","","","","","","1.464","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101657","9.0904","0.0003","10.349","0.0003","30.9898","0.0014","90","","90","","90","","2915.41","0.18","295","2","295","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C14 H16 Cl2 O3 -","- C14 H16 Cl2 O3 -","- C112 H128 Cl16 O24 -","8","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.71069","MoKα","","0.0903","0.0472","","","0.1096","0.135","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101658","7","0.0007","17.7274","0.0016","12.3192","0.0014","90","","92.187","0.004","90","","1527.6","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Cl2 O3 -","- C15 H18 Cl2 O3 -","- C60 H72 Cl8 O12 -","4","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.71069","MoKα","","0.0949","0.0646","","","0.1647","0.1839","","","","","","1.047","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101659","7.2623","0.0004","8.6146","0.0004","12.9699","0.0009","105.49","0.002","88.947","0.002","93.441","0.004","780.54","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 Cl2 O3 -","- C15 H18 Cl2 O3 -","- C30 H36 Cl4 O6 -","2","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.71069","MoKα","","0.0912","0.0666","","","0.2015","0.2377","","","","","","0.95","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101660","7.1261","0.0003","10.5633","0.0005","12.464","0.0009","90","","90","","90","","938.23","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","1.5418","CuKα","","0.0342","0.0315","","","0.0769","0.0811","","","","","","0.971","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101661","11.252","0.003","14.425","0.003","14.949","0.004","68.148","0.003","70.938","0.004","72.309","0.004","2082.1","0.9","233","2","233","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H27 Br O5 -","- C23 H27 Br O5 -","- C92 H108 Br4 O20 -","4","2","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.71069","MoKα","","0.0579","0.0416","","","0.0923","0.1002","","","","","","1.001","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101662","22.958","0.002","7.2742","0.0007","18.915","0.002","90","0.005","90","0.005","90","0.005","3158.8","0.5","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 Br Cl2 O3 -","- C15 H17 Br Cl2 O3 -","- C120 H136 Br8 Cl16 O24 -","8","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.71069","MoKα","","0.1162","0.0599","","","0.1123","0.1319","","","","","","1.063","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101663","6.6611","0.0008","10.6173","0.001","24.981","0.002","90","","90","","90","","1766.7","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br F3 O6 S -","- C15 H18 Br F3 O6 S -","- C60 H72 Br4 F12 O24 S4 -","4","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.71069","MoKα","","0.0307","0.0267","","","0.0547","0.0561","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101664","5.7276","0.0002","10.5267","0.0006","22.9283","0.0012","90","","90","","90","","1382.41","0.12","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Br O4 -","- C14 H19 Br O4 -","- C56 H76 Br4 O16 -","4","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.7107","MoKα","","0.0548","0.0412","","","0.0899","0.0975","","","","","","1.05","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101665","5.7276","0.0002","10.5267","0.0006","22.9283","0.0012","90","","90","","90","","1382.41","0.12","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Br O4 -","- C13.3 H17.6 Br0.65 O4 -","- C53.2 H70.4 Br2.6 O16 -","4","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.7107","MoKα","","0.0548","0.0412","","","0.0899","0.0975","","","","","","1.05","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101666","5.7276","0.0002","10.5267","0.0006","22.9283","0.0012","90","","90","","90","","1382.41","0.12","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Br O4 -","- C12.7 H16.4 Br0.35 O4 -","- C50.8 H65.6 Br1.4 O16 -","4","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.7107","MoKα","","0.0548","0.0412","","","0.0899","0.0975","","","","","","1.05","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101667","5.6298","0.0004","8.2145","0.0006","37.372","0.003","90","","90","","90","","1728.3","0.2","85","2","85","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Br N O3 -","- C21 H16 Br N O3 -","- C84 H64 Br4 N4 O12 -","4","1","","Duffey, Trisha A.; Shaw, Scott A.; Vedejs, Edwin","AcOLeDMAP and BnOLeDMAP: conformationally restricted nucleophilic catalysts for enantioselective rearrangement of indolyl acetates and carbonates.","Journal of the American Chemical Society","2009","131","1","14","15","10.1021/ja805541u","","","0.71073","MoKα","","0.0218","0.0217","","","0.0543","0.0544","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101668","7.2377","0.0018","10.127","0.003","15.948","0.004","103.179","0.003","96.629","0.003","109.845","0.003","1046.6","0.5","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H20 Br N O3 -","- C25 H20 Br N O3 -","- C50 H40 Br2 N2 O6 -","2","2","","Duffey, Trisha A.; Shaw, Scott A.; Vedejs, Edwin","AcOLeDMAP and BnOLeDMAP: conformationally restricted nucleophilic catalysts for enantioselective rearrangement of indolyl acetates and carbonates.","Journal of the American Chemical Society","2009","131","1","14","15","10.1021/ja805541u","","","0.71073","MoKα","","0.0365","0.0279","","","0.0604","0.0639","","","","","","1.024","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101669","8.3738","0.0008","11.4894","0.0011","21.864","0.002","90","","90","","90","","2103.5","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N3 O3 -","- C22 H29 N3 O3 -","- C88 H116 N12 O12 -","4","1","","Duffey, Trisha A.; Shaw, Scott A.; Vedejs, Edwin","AcOLeDMAP and BnOLeDMAP: conformationally restricted nucleophilic catalysts for enantioselective rearrangement of indolyl acetates and carbonates.","Journal of the American Chemical Society","2009","131","1","14","15","10.1021/ja805541u","","","0.71073","MoKα","","0.0345","0.0312","","","0.0805","0.083","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101670","12.5925","0.0007","13.144","0.0007","19.0071","0.001","89.02","0.001","74.248","0.001","63.938","0.001","2700.9","0.3","571","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H81 Cl4 N O2 P2 Ru S -","- C51 H81 Cl4 N O2 P2 Ru S -","- C102 H162 Cl8 N2 O4 P4 Ru2 S2 -","2","1","","Yun, Sang Young; Kim, Mansuk; Lee, Daesung; Wink, Donald J.","Structure and reactivity of alkynyl ruthenium alkylidenes.","Journal of the American Chemical Society","2009","131","1","24","25","10.1021/ja806218x","","","0.71073","MoKα","","0.0567","0.0416","","","0.1143","0.1313","","","","","","0.715","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101671","13.111","0.003","22.22","0.004","18.014","0.004","90","","94.542","0.004","90","","5231.5","1.9","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C53 H72 Cl2 N3 O2 P Ru S -","- C53 H72 Cl2 N3 O2 P Ru S -","- C212 H288 Cl8 N12 O8 P4 Ru4 S4 -","4","1","","Yun, Sang Young; Kim, Mansuk; Lee, Daesung; Wink, Donald J.","Structure and reactivity of alkynyl ruthenium alkylidenes.","Journal of the American Chemical Society","2009","131","1","24","25","10.1021/ja806218x","","","0.71073","MoKα","","0.1521","0.0832","","","0.1475","0.1732","","","","","","1.049","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101672","9.152","0.002","12.81","0.003","15.916","0.004","77.958","0.004","81.559","0.004","84.934","0.004","1801.9","0.7","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 Cl5 O P Ru -","- C34 H48 Cl5 O P Ru -","- C68 H96 Cl10 O2 P2 Ru2 -","2","1","","Yun, Sang Young; Kim, Mansuk; Lee, Daesung; Wink, Donald J.","Structure and reactivity of alkynyl ruthenium alkylidenes.","Journal of the American Chemical Society","2009","131","1","24","25","10.1021/ja806218x","","","0.71073","Mo-Kα","","0.065","0.0549","","","0.1472","0.155","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101673","9.034","0.003","9.516","0.003","11.485","0.003","84.428","0.008","81.872","0.008","83.45","0.009","967.7","0.5","150","2","150","2","","","","","","","","8","P -1","-P 1","2","Pt2(tfepma)2Cl2","","","- C18 H22 Cl2 F24 N2 O8 P4 Pt2 -","- C18 H22 Cl2 F24 N2 O8 P4 Pt2 -","- C18 H22 Cl2 F24 N2 O8 P4 Pt2 -","1","0.5","","Cook, Timothy R.; Surendranath, Yogesh; Nocera, Daniel G.","Chlorine photoelimination from a diplatinum core: circumventing the back reaction.","Journal of the American Chemical Society","2009","131","1","28","29","10.1021/ja807222p","","","0.71073","MoKα","","0.0195","0.0178","","","0.0432","0.0442","","","","","","1.037","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101674","23.3862","0.0014","8.7562","0.0005","22.1281","0.0013","90","","109.955","0.001","90","","4259.2","0.4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Pt2(tfepma)2Cl6","","","- C18 H22 Cl6 F24 N2 O8 P4 Pt2 -","- C18 H22 Cl6 F24 N2 O8 P4 Pt2 -","- C72 H88 Cl24 F96 N8 O32 P16 Pt8 -","4","0.5","","Cook, Timothy R.; Surendranath, Yogesh; Nocera, Daniel G.","Chlorine photoelimination from a diplatinum core: circumventing the back reaction.","Journal of the American Chemical Society","2009","131","1","28","29","10.1021/ja807222p","","","0.71073","MoKα","","0.0303","0.0235","","","0.053","0.0565","","","","","","1.084","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101675","10.499","0.003","13.544","0.004","29.154","0.009","90","","99.423","0.005","90","","4090","2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Pt2(tfepma)2Cl4","","","- C18 H22 Cl4 F24 N2 O8 P4 Pt2 -","- C18 H22 Cl4 F24 N2 O8 P4 Pt2 -","- C72 H88 Cl16 F96 N8 O32 P16 Pt8 -","4","1","","Cook, Timothy R.; Surendranath, Yogesh; Nocera, Daniel G.","Chlorine photoelimination from a diplatinum core: circumventing the back reaction.","Journal of the American Chemical Society","2009","131","1","28","29","10.1021/ja807222p","","","0.71073","MoKα","","0.0594","0.0476","","","0.0911","0.095","","","","","","1.336","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101676","15.295","0.002","15.739","0.002","16.395","0.003","82.06","0.003","76.309","0.002","62.259","0.002","3392.1","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H96.26 Cl1.74 O4.13 Pt2 -","- C77.002 H96.266 Cl1.742 O4.131 Pt2 -","- C154.004 H192.532 Cl3.484 O8.262 Pt4 -","2","1","","Cook, Timothy R.; Surendranath, Yogesh; Nocera, Daniel G.","Chlorine photoelimination from a diplatinum core: circumventing the back reaction.","Journal of the American Chemical Society","2009","131","1","28","29","10.1021/ja807222p","","","0.71073","MoKα","","0.0648","0.0446","","","0.0955","0.1052","","","","","","1.018","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101677","11.621","0.002","16.506","0.003","22.836","0.004","91.323","0.004","90.869","0.004","110.373","0.004","4104","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Pt2(tfepma)2Cl4","","","- C18 H22 Cl4 F24 N2 O8 P4 Pt2 -","- C18 H22 Cl4 F24 N2 O8 P4 Pt2 -","- C72 H88 Cl16 F96 N8 O32 P16 Pt8 -","4","2","","Cook, Timothy R.; Surendranath, Yogesh; Nocera, Daniel G.","Chlorine photoelimination from a diplatinum core: circumventing the back reaction.","Journal of the American Chemical Society","2009","131","1","28","29","10.1021/ja807222p","","","0.71073","MoKα","","0.0971","0.0595","","","0.1295","0.1549","","","","","","1.015","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101678","25.0365","0.0005","11.1259","0.0002","24.5183","0.0005","90","","113.503","0.001","90","","6263.1","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H82 B2 Fe N12 -","- C72 H82 B2 Fe N12 -","- C288 H328 B8 Fe4 N48 -","4","1","","Ni, Zhaoping; Shores, Matthew P","Magnetic observation of anion binding in iron coordination complexes: toward spin-switching chemosensors.","Journal of the American Chemical Society","2009","131","1","32","33","10.1021/ja807379a","","","0.71073","MoKα","","0.0411","0.0343","","","0.0862","0.0928","","","","","","1.034","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101679","25.4833","0.0007","11.1536","0.0003","24.7455","0.0007","90","","113.466","0.001","90","","6451.7","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H82 B2 Fe N12 -","- C72 H82 B2 Fe N12 -","- C288 H328 B8 Fe4 N48 -","4","1","","Ni, Zhaoping; Shores, Matthew P","Magnetic observation of anion binding in iron coordination complexes: toward spin-switching chemosensors.","Journal of the American Chemical Society","2009","131","1","32","33","10.1021/ja807379a","","","0.71073","MoKα","","0.194","0.055","","","0.0837","0.1072","","","","","","1","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101680","13.4698","0.0004","18.017","0.0005","13.9282","0.0004","90","","115.011","0.001","90","","3063.2","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H82 B2 Fe N12 -","- C72 H82 B2 Fe N12 -","- C144 H164 B4 Fe2 N24 -","2","1","","Ni, Zhaoping; Shores, Matthew P","Magnetic observation of anion binding in iron coordination complexes: toward spin-switching chemosensors.","Journal of the American Chemical Society","2009","131","1","32","33","10.1021/ja807379a","","","0.71073","MoKα","","0","0.0323","","","0.0858","0.0936","","","","","","0.992","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101681","9.3168","0.0004","31.7028","0.0012","16.0446","0.0006","90","","90.283","0.002","90","","4739","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H62 B Br Fe N12 O -","- C49 H62 B Br Fe N12 O -","- C196 H248 B4 Br4 Fe4 N48 O4 -","4","1","","Ni, Zhaoping; Shores, Matthew P","Magnetic observation of anion binding in iron coordination complexes: toward spin-switching chemosensors.","Journal of the American Chemical Society","2009","131","1","32","33","10.1021/ja807379a","","","0.71073","MoKα","","0.0919","0.0534","","","0.1303","0.1507","","","","","","1.01","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101682","9.4246","0.0004","31.7843","0.0013","16.3078","0.0007","90","","90","","90","","4885.1","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 B Br Fe N12 -","- C48 H62 B Br Fe N12 -","- C192 H248 B4 Br4 Fe4 N48 -","4","1","","Ni, Zhaoping; Shores, Matthew P","Magnetic observation of anion binding in iron coordination complexes: toward spin-switching chemosensors.","Journal of the American Chemical Society","2009","131","1","32","33","10.1021/ja807379a","","","0.71073","MoKα","","0.2259","0.0661","","","0.1515","0.1829","","","","","","1.005","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101683","11.849","0.0004","16.5426","0.0006","18.2817","0.0006","90","","92.494","0.001","90","","3580.1","0.2","243","2","243","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 Fe N4 -","- C40 H50 Fe N4 -","- C160 H200 Fe4 N16 -","4","1","","Russell, Sarah K.; Lobkovsky, Emil; Chirik, Paul J.","N-N bond cleavage in diazoalkanes by a bis(imino)pyridine iron complex.","Journal of the American Chemical Society","2009","131","1","36","37","10.1021/ja8075132","","","0.71073","MoKα","","0.0843","0.0471","","","0.1073","0.1244","","","","","","0.988","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101684","7.02","0.003","8.139","0.003","9.731","0.004","90","","104.87","0.03","90","","537.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H13 Cl3 Co N2 -","- C5 H13 Cl3 Co N2 -","- C10 H26 Cl6 Co2 N4 -","2","1","","Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi; Zhang, Wen; Xiong, Ren-Gen; Huang, Songping D","Hydrogen-bonded ferroelectrics based on metal-organic coordination.","Journal of the American Chemical Society","2009","131","1","42","43","10.1021/ja808331g","","","0.71073","MoKα","","0.035","0.0295","","","0.0616","0.065","","","","","","1.047","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101685","7.0385","0.0014","8.1172","0.0016","9.754","0.002","90","","105.06","0.03","90","","538.1","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H13 Cl3 N2 Zn -","- C5 H13 Cl3 N2 Zn -","- C10 H26 Cl6 N4 Zn2 -","2","1","","Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi; Zhang, Wen; Xiong, Ren-Gen; Huang, Songping D","Hydrogen-bonded ferroelectrics based on metal-organic coordination.","Journal of the American Chemical Society","2009","131","1","42","43","10.1021/ja808331g","","","0.71073","MoKα","","0.042","0.0364","","","0.0758","0.0786","","","","","","1.022","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101686","18.1452","0.0008","12.6687","0.0003","19.7459","0.0009","90","","112.809","0.0016","90","","4184.2","0.3","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 B F12 O -","- C22 H13 B F12 O -","- C176 H104 B8 F96 O8 -","8","2","","Ullrich, Matthias; Lough, Alan J.; Stephan, Douglas W.","Reversible, metal-free, heterolytic activation of H2 at room temperature.","Journal of the American Chemical Society","2009","131","1","52","53","10.1021/ja808506t","","","0.71073","MoKα","","0.0988","0.0461","","","0.0972","0.1204","","","","","","1.024","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101687","16.964","0.002","16.964","0.002","9.963","0.002","90","","90","","120","","2483","0.6","150","1","150","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C36 H38 B F12 P -","- C36 H38 B F12 P -","- C108 H114 B3 F36 P3 -","3","0.333333","","Ullrich, Matthias; Lough, Alan J.; Stephan, Douglas W.","Reversible, metal-free, heterolytic activation of H2 at room temperature.","Journal of the American Chemical Society","2009","131","1","52","53","10.1021/ja808506t","","","0.71073","MoKα","","0.0429","0.0359","","","0.0802","0.0855","","","","","","1.018","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101688","14.7861","0.0006","12.0082","0.0006","15.9814","0.001","90","","105.197","0.004","90","","2738.3","0.3","103","2","103","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C32 H26 N4 O4 -","- C32 H26 N4 O4 -","- C128 H104 N16 O16 -","4","1","","Kawabata, Takeo; Jiang, Changsheng; Hayashi, Kazuhiro; Tsubaki, Kazunori; Yoshimura, Tomoyuki; Majumdar, Swapan; Sasamori, Takahiro; Tokitoh, Norihiro","Axially chiral binaphthyl surrogates with an inner N-H-N hydrogen bond.","Journal of the American Chemical Society","2009","131","1","54","55","10.1021/ja808213r","","","0.71069","MoKα","","0.075","0.0423","","","0.0966","0.1113","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101689","10.8412","0.0015","18.736","0.003","29.809","0.004","90","","90","","90","","6054.8","1.5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C60.25 H87.25 Br2 Mo N2 O2 P1.25 Si -","- C60.25 H87.25 Br2 Mo N2 O2 P1.25 Si -","- C241 H349 Br8 Mo4 N8 O8 P5 Si4 -","4","1","","Marinescu, Smaranda C.; Schrock, Richard R.; Li, Bo; Hoveyda, Amir H.","Inversion of configuration at the metal in diastereomeric imido alkylidene monoaryloxide monopyrrolide complexes of molybdenum.","Journal of the American Chemical Society","2009","131","1","58","59","10.1021/ja808308e","","","0.71073","MoKα","","0.0448","0.0401","","","0.1015","0.1047","","","","","","1.047","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101690","29.009","0.018","22.577","0.018","43.99","0.03","90","","96.182","0.017","90","","28643","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C130 H102.75 Cl3 F30 P11 Re2 S6 -","- C127.5 H101.5 Cl2.5 F24 P10 Re2 S6 -","- C1020 H812 Cl20 F192 P80 Re16 S48 -","8","1","","Grapperhaus, Craig A.; Ouch, Kagna; Mashuta, Mark S.","Redox-regulated ethylene binding to a rhenium-thiolate complex.","Journal of the American Chemical Society","2009","131","1","64","65","10.1021/ja8086483","","","0.71073","MoKα","","0.1253","0.0749","","","0.1843","0.1969","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101691","16.4246","0.0007","7.3362","0.0003","19.1152","0.0008","90","","103.219","0.004","90","","2242.24","0.17","135","2","135","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C24 H20 Ag N6 P -","- C24 H20 Ag N6 P -","- C96 H80 Ag4 N24 P4 -","4","1","","Klapötke, Thomas M.; Krumm, Burkhard; Scherr, Matthias","The binary silver nitrogen anion [Ag(N3)2]-.","Journal of the American Chemical Society","2009","131","1","72","74","10.1021/ja8077544","","","0.71073","MoKα","","0.0517","0.0308","","","0.0814","0.0885","","","","","","0.981","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101692","16.3409","0.0012","10.5219","0.0008","10.6388","0.0006","90","","94.213","0.006","90","","1824.3","0.2","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H15 Ag N6 S -","- C18 H15 Ag N6 S -","- C72 H60 Ag4 N24 S4 -","4","1","","Klapötke, Thomas M.; Krumm, Burkhard; Scherr, Matthias","The binary silver nitrogen anion [Ag(N3)2]-.","Journal of the American Chemical Society","2009","131","1","72","74","10.1021/ja8077544","","","0.71073","MoKα","","0.0616","0.037","","","0.0686","0.0796","","","","","","1.041","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101693","14.2571","0.0007","12.4154","0.0007","9.4505","0.0005","90","","100.12","0.004","90","","1646.78","0.15","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- As K3 S11 Ta2 -","- As K3 S11 Ta2 -","- As4 K12 S44 Ta8 -","4","1","","Bera, Tarun K.; Jang, Joon I.; Ketterson, John B.; Kanatzidis, Mercouri G.","Strong second harmonic generation from the tantalum thioarsenates A3Ta2AsS11 (A = K and Rb).","Journal of the American Chemical Society","2009","131","1","75","77","10.1021/ja807928d","","","0.71073","MoKα","","0.0223","0.0215","","","0.0546","0.0548","","","","","","1.034","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101694","14.4397","0.0008","12.8013","0.0009","9.5687","0.0005","90","","99.289","0.004","90","","1745.55","0.18","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- As Rb3 S11 Ta2 -","- As Rb3 S11 Ta2 -","- As4 Rb12 S44 Ta8 -","4","1","","Bera, Tarun K.; Jang, Joon I.; Ketterson, John B.; Kanatzidis, Mercouri G.","Strong second harmonic generation from the tantalum thioarsenates A3Ta2AsS11 (A = K and Rb).","Journal of the American Chemical Society","2009","131","1","75","77","10.1021/ja807928d","","","0.71073","MoKα","","0.0331","0.031","","","0.0658","0.0663","","","","","","1.047","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101695","9.5967","0.0007","13.5926","0.0007","14.716","0.001","90","","98.876","0.006","90","","1896.6","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As Cs3 S11 Ta2 -","- As Cs3 S11 Ta2 -","- As4 Cs12 S44 Ta8 -","4","1","","Bera, Tarun K.; Jang, Joon I.; Ketterson, John B.; Kanatzidis, Mercouri G.","Strong second harmonic generation from the tantalum thioarsenates A3Ta2AsS11 (A = K and Rb).","Journal of the American Chemical Society","2009","131","1","75","77","10.1021/ja807928d","","","0.71073","MoKα","","0.0559","0.0419","","","0.063","0.0659","","","","","","1.168","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101696","15.109","0.003","6.1735","0.0012","24.395","0.005","90","","91.535","0.004","90","","2274.6","0.8","89","2","89","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 O -","- C29 H32 O -","- C116 H128 O4 -","4","1","","Mitchell, Reginald H.; Zhang, Rui; Berg, David J.; Twamley, Brendan; Williams, Richard Vaughan","Measuring aromaticity with the dimethyldihydropyrene ring current probe. Experimental and computational studies of the fulvenes and the strongly antiaromatic cyclopentadienone reveal large Mills-Nixon-type bond localization effects. Synthesis of fulvene-fused dihydropyrenes.","Journal of the American Chemical Society","2009","131","1","189","199","10.1021/ja806427n","","x-ray","0.71073","MoKα","","0.0954","0.0685","","","0.1519","0.1622","","","","","","1.097","","","","has coordinates,has disorder","211196","2020-10-21","18:00:00",""
"4101697","9.685","0.004","10.666","0.004","12.406","0.005","112.859","0.007","91.953","0.008","103.258","0.008","1138.5","0.8","86","2","86","2","","","","","","","","3","P -1","-P 1","2","Cyclopentenone-tBuDHP","","","- C29 H34 O -","- C29 H34 O -","- C58 H68 O2 -","2","1","","Mitchell, Reginald H.; Zhang, Rui; Berg, David J.; Twamley, Brendan; Williams, Richard Vaughan","Measuring aromaticity with the dimethyldihydropyrene ring current probe. Experimental and computational studies of the fulvenes and the strongly antiaromatic cyclopentadienone reveal large Mills-Nixon-type bond localization effects. Synthesis of fulvene-fused dihydropyrenes.","Journal of the American Chemical Society","2009","131","1","189","199","10.1021/ja806427n","","x-ray","0.71073","MoKα","","0.1308","0.0668","","","0.1474","0.1758","","","","","","0.999","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101698","16.893","0.003","21.358","0.004","8.0731","0.0016","90","","90","","90","","2912.8","0.9","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H20 F4 N0 O4 P2 W -","- C34 H18 F4 O4 P2 W -","- C136 H72 F16 O16 P8 W4 -","4","0.5","","Kaufhold, Oliver; Stasch, Andreas; Pape, Tania; Hepp, Alexander; Edwards, Peter G.; Newman, Paul D.; Hahn, F. Ekkehardt","Metal template controlled formation of [11]ane-P2C(NHC) macrocycles.","Journal of the American Chemical Society","2009","131","1","306","317","10.1021/ja807333f","","","0.71073","MoKα","","0.0247","0.0208","","","0.045","0.0463","","","","","","1.027","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101699","8.8522","0.0018","10.297","0.002","12.389","0.003","90","","107.84","0.03","90","","1075","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Cl N2 O4 Re -","- C7 H6 Cl N2 O4 Re -","- C28 H24 Cl4 N8 O16 Re4 -","4","1","","Kaufhold, Oliver; Stasch, Andreas; Pape, Tania; Hepp, Alexander; Edwards, Peter G.; Newman, Paul D.; Hahn, F. Ekkehardt","Metal template controlled formation of [11]ane-P2C(NHC) macrocycles.","Journal of the American Chemical Society","2009","131","1","306","317","10.1021/ja807333f","","","0.71073","MoKα","","0.0312","0.0264","","","0.0596","0.0619","","","","","","1.039","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101700","9.03","0.005","10.898","0.005","19.929","0.005","75.388","0.005","82.356","0.005","68.013","0.005","1758.1","1.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H30 Cl F2 N2 O6 P2 Re -","- C36 H24 Cl F2 N2 O6 P2 Re -","- C72 H48 Cl2 F4 N4 O12 P4 Re2 -","2","1","","Kaufhold, Oliver; Stasch, Andreas; Pape, Tania; Hepp, Alexander; Edwards, Peter G.; Newman, Paul D.; Hahn, F. Ekkehardt","Metal template controlled formation of [11]ane-P2C(NHC) macrocycles.","Journal of the American Chemical Society","2009","131","1","306","317","10.1021/ja807333f","","","0.71069","MoKα","","0.0368","0.0308","","","0.066","0.069","","","","","","1.045","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101701","9.8118","0.0004","19.1632","0.0006","17.1424","0.0007","90","","93.836","0.003","90","","3216","0.2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 F3 N2 O3 P2 Re -","- C36 H24 F3 N2 O3 P2 Re -","- C144 H96 F12 N8 O12 P8 Re4 -","4","1","","Kaufhold, Oliver; Stasch, Andreas; Pape, Tania; Hepp, Alexander; Edwards, Peter G.; Newman, Paul D.; Hahn, F. Ekkehardt","Metal template controlled formation of [11]ane-P2C(NHC) macrocycles.","Journal of the American Chemical Society","2009","131","1","306","317","10.1021/ja807333f","","","1.54178","CuKα","","0.0567","0.0359","","","0.0671","0.0702","","","","","","0.88","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101702","9.9913","0.0012","10.8606","0.0014","18.072","0.002","96.301","0.003","101.241","0.002","114.69","0.002","1706.9","0.4","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H26.5 Cl3 F2 N2 O2.25 P2 Re -","- C36 H26 Cl3 F2 N2 O2.25 P2 Re -","- C72 H52 Cl6 F4 N4 O4.5 P4 Re2 -","2","1","","Kaufhold, Oliver; Stasch, Andreas; Pape, Tania; Hepp, Alexander; Edwards, Peter G.; Newman, Paul D.; Hahn, F. Ekkehardt","Metal template controlled formation of [11]ane-P2C(NHC) macrocycles.","Journal of the American Chemical Society","2009","131","1","306","317","10.1021/ja807333f","","","0.71073","MoKα","","0.0518","0.0415","","","0.0858","0.0895","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101703","12.506","0.003","13.456","0.003","12.976","0.003","90","","91.53","0.03","90","","2182.8","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Br Mn N2 O4 -","- C7 H6 Br Mn N2 O4 -","- C56 H48 Br8 Mn8 N16 O32 -","8","2","","Kaufhold, Oliver; Stasch, Andreas; Pape, Tania; Hepp, Alexander; Edwards, Peter G.; Newman, Paul D.; Hahn, F. Ekkehardt","Metal template controlled formation of [11]ane-P2C(NHC) macrocycles.","Journal of the American Chemical Society","2009","131","1","306","317","10.1021/ja807333f","","","0.71073","MoKα","","0.0387","0.0282","","","0.0511","0.0541","","","","","","1.02","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101704","16.493","0.003","11.902","0.002","18.845","0.003","90","","105.589","0.004","90","","3563.2","1.1","153","2","153","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 Br Cl2 F2 Mn N2 O3 P2 -","- C37 H26 Br Cl2 F2 Mn N2 O3 P2 -","- C148 H104 Br4 Cl8 F8 Mn4 N8 O12 P8 -","4","1","","Kaufhold, Oliver; Stasch, Andreas; Pape, Tania; Hepp, Alexander; Edwards, Peter G.; Newman, Paul D.; Hahn, F. Ekkehardt","Metal template controlled formation of [11]ane-P2C(NHC) macrocycles.","Journal of the American Chemical Society","2009","131","1","306","317","10.1021/ja807333f","","","0.71073","MoKα","","0.0684","0.0449","","","0.1054","0.1155","","","","","","1.027","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101705","13.051","0.007","9.533","0.005","20.391","0.011","90","","101.09","0.03","90","","2490","2","100","","100","","","","","","","","dimethylformamide","4","P 1 21/c 1","-P 2ybc","14","","4-trans-(3',5'-di-tert-butyl-phenyldiazo)-3-spiro-(N- methyl-4'-piperidyl)-phthalide","","- C27 H35 N3 O2 -","- C27 H35 N3 O2 -","- C108 H140 N12 O8 -","4","1","","Stoll, Ragnar S; Peters, Maike V; Kuhn, Andreas; Heiles, Sven; Goddard, Richard; Bühl, Michael; Thiele, Christina M; Hecht, Stefan","Photoswitchable catalysts: correlating structure and conformational dynamics with reactivity by a combined experimental and computational approach.","Journal of the American Chemical Society","2009","131","1","357","367","10.1021/ja807694s","","","1.54178","CuKα","","0.2251","0.0659","","","0.1473","0.1977","","","","","","0.954","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101706","11.465","0.002","11.577","0.002","18.72","0.004","91.16","0.03","103.05","0.03","104.05","0.03","2340.7","0.9","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H34 Cl4 F4 N4 O6 P2 Re2 -","- C42.9 H34 Cl4 F4 N4 O5.9 P2 Re2 -","- C85.8 H68 Cl8 F8 N8 O11.8 P4 Re4 -","2","1","","Kaufhold, Oliver; Stasch, Andreas; Pape, Tania; Hepp, Alexander; Edwards, Peter G.; Newman, Paul D.; Hahn, F. Ekkehardt","Metal template controlled formation of [11]ane-P2C(NHC) macrocycles.","Journal of the American Chemical Society","2009","131","1","306","317","10.1021/ja807333f","","","0.71073","MoKα","","0.0393","0.0308","","","0.0625","0.0658","","","","","","1.033","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101707","51.292","0.004","13.2238","0.0011","29.0236","0.0019","90","","118.497","0.007","90","","17301","3","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H41 N3 O2 -","- C30 H41 N3 O2 -","- C720 H984 N72 O48 -","24","3","","Stoll, Ragnar S; Peters, Maike V; Kuhn, Andreas; Heiles, Sven; Goddard, Richard; Bühl, Michael; Thiele, Christina M; Hecht, Stefan","Photoswitchable catalysts: correlating structure and conformational dynamics with reactivity by a combined experimental and computational approach.","Journal of the American Chemical Society","2009","131","1","357","367","10.1021/ja807694s","","","0.71073","MoKα","","0.0891","0.0438","","","0.085","0.0949","","","","","","0.81","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101708","11.201","0.005","11.8","0.005","20.504","0.005","92.239","0.005","100.058","0.005","117.123","0.005","2353.1","1.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H50 Cl F4 N2 O6 P2 Re -","- C48 H42 Cl F4 N2 O6 P2 Re -","- C96 H84 Cl2 F8 N4 O12 P4 Re2 -","2","1","","Kaufhold, Oliver; Stasch, Andreas; Pape, Tania; Hepp, Alexander; Edwards, Peter G.; Newman, Paul D.; Hahn, F. Ekkehardt","Metal template controlled formation of [11]ane-P2C(NHC) macrocycles.","Journal of the American Chemical Society","2009","131","1","306","317","10.1021/ja807333f","","","0.71069","MoKα","","0.0448","0.0415","","","0.0987","0.1005","","","","","","1.095","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101709","11.3812","0.0004","24.8447","0.001","12.4766","0.0004","90","","116.154","0.003","90","","3166.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-trans-(3',5'-bis-(2,6-dimethylphenyl)phenyldiazo)-3-spiro- (N-tert-butyl-4'-piperidyl)-phthalide","","- C38 H41 N3 O2 -","- C38 H41 N3 O2 -","- C152 H164 N12 O8 -","4","1","","Stoll, Ragnar S; Peters, Maike V; Kuhn, Andreas; Heiles, Sven; Goddard, Richard; Bühl, Michael; Thiele, Christina M; Hecht, Stefan","Photoswitchable catalysts: correlating structure and conformational dynamics with reactivity by a combined experimental and computational approach.","Journal of the American Chemical Society","2009","131","1","357","367","10.1021/ja807694s","","","0.71073","MoKα","","0.0778","0.0392","","","0.0697","0.0773","","","","","","0.835","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101710","7.5388","0.0013","13.771","0.002","14.573","0.002","93.35","0.02","102.371","0.019","100.33","0.02","1446.4","0.4","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H41 N3 O2 -","- C30 H41 N3 O2 -","- C60 H82 N6 O4 -","2","1","","Stoll, Ragnar S; Peters, Maike V; Kuhn, Andreas; Heiles, Sven; Goddard, Richard; Bühl, Michael; Thiele, Christina M; Hecht, Stefan","Photoswitchable catalysts: correlating structure and conformational dynamics with reactivity by a combined experimental and computational approach.","Journal of the American Chemical Society","2009","131","1","357","367","10.1021/ja807694s","","","0.71073","MoKα","","0.1186","0.0463","","","0.0877","0.1037","","","","","","0.789","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101711","6.3122","0.0007","12.153","0.001","28.515","0.003","90","","90","","90","","2187.4","0.4","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C104 H112 O16 -","4","1","","Kim, Hun Young; Salvi, Luca; Carroll, Patrick J.; Walsh, Patrick J.","One-pot catalytic enantio- and diastereoselective syntheses of anti-, syn-cis-disubstituted, and syn-vinyl cyclopropyl alcohols.","Journal of the American Chemical Society","2010","132","1","402","412","10.1021/ja907781t","","","","","","","","","","","","","","","","","","","","","has coordinates","288250","2023-12-12","13:26:53",""
"4101712","10.0592","0.0008","23.0731","0.0018","13.9928","0.0011","90","","109.435","0.001","90","","3062.6","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 N2 O2 -","- C36 H42 N2 O2 -","- C144 H168 N8 O8 -","4","1","","Salata, Michael R.; Marks, Tobin J.","Synthesis, characterization, and marked polymerization selectivity characteristics of binuclear phenoxyiminato organozirconium catalysts.","Journal of the American Chemical Society","2008","130","1","12","13","10.1021/ja076857e","","","0.71073","MoKα","","0.0836","0.0616","","","0.1614","0.1872","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101713","26.914","0.006","9.765","0.002","16.289","0.004","90","","109.311","0.003","90","","4040.1","1.6","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H58 N2 O2 Si2 -","- C42 H58 N2 O2 Si2 -","- C168 H232 N8 O8 Si8 -","4","1","","Salata, Michael R.; Marks, Tobin J.","Synthesis, characterization, and marked polymerization selectivity characteristics of binuclear phenoxyiminato organozirconium catalysts.","Journal of the American Chemical Society","2008","130","1","12","13","10.1021/ja076857e","","","0.71073","MoKα","","0.0533","0.0462","","","0.1123","0.1191","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101714","9.5123","0.0004","9.5123","0.0004","26.472","0.003","90","","90","","120","","2074.4","0.3","100","2","100","2","","","","","","","","5","P 31","P 31","144","DLT3_258","","","- C22 H20 N4 Pb3 S6 -","- C22 H20 N4 Pb3 S6 -","- C66 H60 N12 Pb9 S18 -","3","1","","Turner, Dayna L.; Vaid, Thomas P.; Stephens, Peter W.; Stone, Kevin H.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Semiconducting lead-sulfur-organic network solids.","Journal of the American Chemical Society","2008","130","1","14","15","10.1021/ja0770983","","","0.71073","MoKα","","0.0511","0.035","","","0.0573","0.0613","","","","","","1.033","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4101715","9.7206","0.001","14.3124","0.0014","19.73","0.002","70.85","0.002","81.48","0.002","84.019","0.002","2559.9","0.4","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H78 La2 N4 Si2 -","- C48 H78 La2 N4 Si2 -","- C96 H156 La4 N8 Si4 -","2","1","","Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Organolanthanide-based synthesis of 1,2,3-triazoles from nitriles and diazo compounds.","Journal of the American Chemical Society","2008","130","1","16","17","10.1021/ja077298e","","","0.71073","MoKα","","0.026","0.0197","","","0.0484","0.0517","","","","","","1.039","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101716","20.4393","0.001","20.4393","0.001","14.4731","0.0013","90","","90","","120","","5236.3","0.6","163","2","163","2","","","","","","","","5","P -3","-P 3","147","","","","- C81 H144 La3 N15 Si6 -","- C81 H144 La3 N15 Si6 -","- C162 H288 La6 N30 Si12 -","2","0.333333","","Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Organolanthanide-based synthesis of 1,2,3-triazoles from nitriles and diazo compounds.","Journal of the American Chemical Society","2008","130","1","16","17","10.1021/ja077298e","","","0.71073","MoKα","","0.0291","0.0255","","","0.0742","0.0772","","","","","","1.143","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101717","10.6329","0.0009","18.1349","0.0016","19.8862","0.0018","90","","104.163","0.002","90","","3718","0.6","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H57 La N4 Si -","- C34.17 H57 La N4 Si0.93 -","- C136.68 H228 La4 N16 Si3.72 -","4","1","","Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Organolanthanide-based synthesis of 1,2,3-triazoles from nitriles and diazo compounds.","Journal of the American Chemical Society","2008","130","1","16","17","10.1021/ja077298e","","","0.71073","MoKα","","0.034","0.0246","","","0.0591","0.0638","","","","","","1.041","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101718","10.727","0.006","17.626","0.01","20.211","0.011","90","","104.985","0.009","90","","3691","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H57 N4 Si Sm -","- C34 H57 N4 Si Sm -","- C136 H228 N16 Si4 Sm4 -","4","1","","Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Organolanthanide-based synthesis of 1,2,3-triazoles from nitriles and diazo compounds.","Journal of the American Chemical Society","2008","130","1","16","17","10.1021/ja077298e","","","0.71073","MoKα","","0.0765","0.0628","","","0.123","0.1274","","","","","","1.311","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101719","28.549","0.002","12.985","0.0011","20.9316","0.0018","90","","129.993","0.001","90","","5944.8","0.8","138","2","138","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H90 N4 Si2 Sm2 -","- C60 H90 N4 Si2 Sm2 -","- C240 H360 N16 Si8 Sm8 -","4","1","","Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Organolanthanide-based synthesis of 1,2,3-triazoles from nitriles and diazo compounds.","Journal of the American Chemical Society","2008","130","1","16","17","10.1021/ja077298e","","","0.71073","MoKα","","0.0208","0.0199","","","0.0502","0.0508","","","","","","1.035","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101720","9.5887","0.001","14.3066","0.0015","19.579","0.002","69.775","0.002","81.002","0.002","83.535","0.002","2484.3","0.4","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H78 N4 Si2 Sm2 -","- C48 H78 N4 Si2 Sm2 -","- C96 H156 N8 Si4 Sm4 -","2","1","","Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Organolanthanide-based synthesis of 1,2,3-triazoles from nitriles and diazo compounds.","Journal of the American Chemical Society","2008","130","1","16","17","10.1021/ja077298e","","","0.71073","MoKα","","0.0297","0.0213","","","0.0504","0.0545","","","","","","1.028","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101721","21.7966","0.0008","14.0889","0.0004","22.0906","0.0006","90","","111.263","0.0009","90","","6322","0.3","100","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 Co F12 N2 O7 -","- C27 H27 Co F12 N2 O7 -","- C216 H216 Co8 F96 N16 O56 -","8","2","","Ishii, Norio; Okamura, Yoshitomo; Chiba, Susumu; Nogami, Takashi; Ishida, Takayuki","Giant coercivity in a one-dimensional cobalt-radical coordination magnet.","Journal of the American Chemical Society","2008","130","1","24","25","10.1021/ja077666e","","","0.71069","MoKα","","","0.0436","","","","0.0631","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101722","7.603","0.0003","9.635","0.0004","16.183","0.0006","90","","90","","90","","1185.48","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 O3 -","- C13 H15 O3 -","- C52 H60 O12 -","4","1","","Li, De Run; Murugan, Andiappan; Falck, J. R.","Enantioselective, organocatalytic oxy-michael addition to gamma/delta-hydroxy-alpha,beta-enones: boronate-amine complexes as chiral hydroxide synthons.","Journal of the American Chemical Society","2008","130","1","46","48","10.1021/ja076802c","","","0.71073","MoKα","","0.066","0.0506","","","0.1322","0.1491","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101723","10.498","0.002","8.5","0.0017","9.94","0.002","90","","90","","90","","887","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2 H7.33 Na2 O7.67 P2 Y -","- C2 H3 Na2 O7.67 P2 Y -","- C8 H12 Na8 O30.68 P8 Y4 -","4","0.5","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0529","0.0402","","","0.0941","0.1015","","","","","","1.05","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101724","10.755","0.002","8.847","0.0018","10.534","0.002","90","","90","","90","","1002.3","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 La2 Na4 O17 P4 -","- C4 H10 La2 Na4 O17 P4 -","- C8 H20 La4 Na8 O34 P8 -","2","0.25","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0345","0.0282","","","0.078","0.0815","","","","","","1.136","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101725","10.6825","0.0002","8.8219","0.0002","10.4567","0.0002","90","","90","","90","","985.44","0.03","150","2","175","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H11 Ce2 Na4 O17 P4 -","- C4 H10 Ce2 Na4 O17 P4 -","- C8 H20 Ce4 Na8 O34 P8 -","2","0.25","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0228","0.0223","","","0.0526","0.0528","","","","","","1.366","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101726","10.476","0.002","8.7385","0.0017","10.543","0.002","90","","90","","90","","965.2","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Na4 Nd2 O17 P4 -","- C4 H10 Na4 Nd2 O17 P4 -","- C8 H20 Na8 Nd4 O34 P8 -","2","0.25","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0199","0.0175","","","0.0431","0.044","","","","","","1.101","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101727","10.438","0.002","8.651","0.0017","10.398","0.002","90","","90","","90","","938.9","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H11 Eu2 Na4 O16.5 P4 -","- C4 H10 Eu2 Na4 O16.5 P4 -","- C8 H20 Eu4 Na8 O33 P8 -","2","0.25","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0242","0.0198","","","0.0475","0.0492","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101728","8.0636","0.0019","9.7171","0.0019","9.972","0.002","90","","100.972","0.008","90","","767.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 Eu Na O7 P2 -","- C2 H3 Eu Na O7 P2 -","- C8 H12 Eu4 Na4 O28 P8 -","4","1","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.1007","0.0816","","","0.2385","0.2603","","","","","","1.123","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101729","10.4217","0.0005","8.6462","0.0004","10.3","0.0005","90","","90","","90","","928.11","0.08","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2 H5 Gd Na2 O8 P2 -","- C2 H3 Gd Na2 O8 P2 -","- C8 H12 Gd4 Na8 O32 P8 -","4","0.5","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","1.5418","CuKα","","0.039","0.0387","","","0.1073","0.1075","","","","","","1.118","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101730","10.519","0.002","8.606","0.0017","9.999","0.002","90","","90","","90","","905.2","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H11 Na4 O16.5 P4 Tb2 -","- C4 H6 Na4 O16.5 P4 Tb2 -","- C8 H12 Na8 O33 P8 Tb4 -","2","0.25","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.066","0.0377","","","0.0689","0.0791","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101731","9.7235","0.0002","9.7323","0.0002","20.421","0.0005","90","","90","","90","","1932.48","0.07","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H11 Eu O10 P2 -","- C2 H11 Eu O10 P2 -","- C16 H88 Eu8 O80 P16 -","8","1","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.024","0.0168","","","0.0397","0.0438","","","","","","1.132","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101732","9.774","0.005","20.406","0.009","9.805","0.005","90","","90","","90","","1955.6","1.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C2 H8 Ge0.1 Na0.9 Nd0.9 O9 P2 -","- C2 H4 Ge0.1 Na0.9 Nd0.9 O9 P2 -","- C16 H32 Ge0.8 Na7.2 Nd7.2 O72 P16 -","8","1","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0904","0.0457","","","0.0925","0.0983","","","","","","1.161","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101733","11.6223","0.0002","9.1515","0.0002","11.1093","0.0002","90","","111.372","0.001","90","","1100.35","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H13 O11 P2 Y -","- C2 H13 O11 P2 Y -","- C8 H52 O44 P8 Y4 -","4","1","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0256","0.0195","","","0.0444","0.0463","","","","","","1.08","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101734","5.3097","0.0003","6.79","0.0004","12.031","0.0007","80.49","0.002","81.694","0.002","77.851","0.002","415.49","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H7 O8 P2 Yb -","- C2 H7 O8 P2 Yb -","- C4 H14 O16 P4 Yb2 -","2","1","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0151","0.0146","","","0.0351","0.0355","","","","","","1.122","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101735","8.654","0.0004","20.971","0.0009","8.85","0.0004","90","","110.397","0.002","90","","1505.42","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4,5,6,7-Tetrafluorobenzimidazol-2-yl)-4,4,5,5-tetramethyl- 4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","","- C14 H13 F4 N4 O2 -","- C14 H13 F4 N4 O2 -","- C56 H52 F16 N16 O8 -","4","1","","Murata, Hidenori; Miyazaki, Yuji; Inaba, Akira; Paduan-Filho, Armando; Bindilatti, Valdir; Jr, Nei Fernandes Oliveira; Delen, Zeynep; Lahti, Paul M.","2-(4,5,6,7-Tetrafluorobenzimidazol-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1- H-imidazole-3-oxide-1-oxyl, a hydrogen-bonded organic quasi-1D ferromagnet.","Journal of the American Chemical Society","2008","130","1","186","194","10.1021/ja074211g","","","0.71073","MoKα","","0.0863","0.0517","","","0.1613","0.1932","","","","","","1.158","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101736","9.698","0.007","7.153","0.005","11.571","0.007","90","","92.098","0.011","90","","802.1","0.9","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 I O3 -","- C18 H17 I O3 -","- C36 H34 I2 O6 -","2","1","","Liao, Xuebin; Weng, Zhiqiang; Hartwig, John F.","Enantioselective alpha-arylation of ketones with aryl triflates catalyzed by difluorphos complexes of palladium and nickel.","Journal of the American Chemical Society","2008","130","1","195","200","10.1021/ja074453g","","","0.71073","MoKα","","0.1076","0.0533","","","0.1191","0.1406","","","","","","0.872","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101737","4.848","0.001","19.811","0.001","19.907","0.001","90","","94.566","0.001","90","","1905.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-methoxyphenyl)-6,8-dipropyl-2,3-dihydrobenzo[b][1,4]oxathiin-5-ol","","- C21 H26 O3 S -","- C21 H26 O3 S -","- C84 H104 O12 S4 -","4","1","","Amorati, Riccardo; Catarzi, Francesca; Menichetti, Stefano; Pedulli, Gian Franco; Viglianisi, Caterina","Effect of ortho-SR groups on O-H bond strength and H-atom donating ability of phenols: a possible role for the Tyr-Cys link in galactose oxidase active site?","Journal of the American Chemical Society","2008","130","1","237","244","10.1021/ja075554h","","","1.54178","CuKα","","0.0666","0.0439","","","0.1227","0.135","","","","","","1.018","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101738","25.2803","0.0002","23.911","0.0002","35.54","0.0004","90","","102.274","0.0003","90","","20992","0.3","253","2","260","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C143 H195 B4 Cl4 Co4 Fe4 N81 O37 -","- C143 H187 B4 Cl4 Co4 Fe4 N81 O37 -","- C572 H748 B16 Cl16 Co16 Fe16 N324 O148 -","4","1","","Li, Dongfeng; Clérac, Rodolphe; Roubeau, Olivier; Harté, Etienne; Mathonière, Corine; Bris, Rémy Le; Holmes, Stephen M.","Magnetic and optical bistability driven by thermally and photoinduced intramolecular electron transfer in a molecular cobalt-iron prussian blue analogue.","Journal of the American Chemical Society","2008","130","1","252","258","10.1021/ja0757632","","","0.71073","MoKα","","0.1684","0.0962","","","0.2912","0.3288","","","","","","1.016","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101739","25.2662","0.0002","23.5797","0.0002","35.597","0.0003","90","","102.444","0.0003","90","","20709.4","0.3","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C143 H195 B4 Cl4 Co4 Fe4 N81 O37 -","- C143 H187 B4 Cl4 Co4 Fe4 N81 O37 -","- C572 H748 B16 Cl16 Co16 Fe16 N324 O148 -","4","1","","Li, Dongfeng; Clérac, Rodolphe; Roubeau, Olivier; Harté, Etienne; Mathonière, Corine; Bris, Rémy Le; Holmes, Stephen M.","Magnetic and optical bistability driven by thermally and photoinduced intramolecular electron transfer in a molecular cobalt-iron prussian blue analogue.","Journal of the American Chemical Society","2008","130","1","252","258","10.1021/ja0757632","","","0.71073","MoKα","","0.1518","0.0939","","","0.2757","0.3244","","","","","","1.049","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101740","25.0653","0.0003","23.4624","0.0003","34.8074","0.0006","90","","102.365","0.0006","90","","19995.1","0.5","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C143 H195 B4 Cl4 Co4 Fe4 N81 O37 -","- C143 H186.1 B4 Cl4 Co4 Fe4 N81 O37 -","- C572 H744.4 B16 Cl16 Co16 Fe16 N324 O148 -","4","1","","Li, Dongfeng; Clérac, Rodolphe; Roubeau, Olivier; Harté, Etienne; Mathonière, Corine; Bris, Rémy Le; Holmes, Stephen M.","Magnetic and optical bistability driven by thermally and photoinduced intramolecular electron transfer in a molecular cobalt-iron prussian blue analogue.","Journal of the American Chemical Society","2008","130","1","252","258","10.1021/ja0757632","","","0.71073","MoKα","","0.1762","0.0934","","","0.2346","0.2773","","","","","","1.037","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101741","10.258","0.0002","15.2386","0.0003","16.9913","0.0004","90","","96.1396","0.0007","90","","2640.8","0.1","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 B Fe N12 -","- C23 H32 B Fe N12 -","- C92 H128 B4 Fe4 N48 -","4","1","","Li, Dongfeng; Clérac, Rodolphe; Roubeau, Olivier; Harté, Etienne; Mathonière, Corine; Bris, Rémy Le; Holmes, Stephen M.","Magnetic and optical bistability driven by thermally and photoinduced intramolecular electron transfer in a molecular cobalt-iron prussian blue analogue.","Journal of the American Chemical Society","2008","130","1","252","258","10.1021/ja0757632","","","0.71073","MoKα","","0.0793","0.0426","","","0.0851","0.0954","","","","","","1.035","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101742","6.8152","0.0011","10.669","0.002","12.389","0.002","81.193","0.005","75.297","0.005","85.65","0.005","860.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C38 H42 N2 O12 -","2","1","","Nieto-Oberhuber, Cristina; Pérez-Galán, Patricia; Herrero-Gómez, Elena; Lauterbach, Thorsten; Rodríguez, Cristina; López, Salomé; Bour, Christophe; Rosellón, Antonio; Cárdenas, Diego J.; Echavarren, Antonio M.","Gold(I)-Catalyzed Intramolecular [4+2] Cycloadditions of Arylalkynes or 1,3-Enynes with Alkenes: Scope and Mechanism","Journal of the American Chemical Society","2008","130","1","269","279","10.1021/ja075794x","","","0.71073","MoKα","","0.1077","0.0744","","","0.2096","0.239","","","","","","1.017","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4101743","12.9697","0.0014","6.1221","0.0007","14.1396","0.0015","90","","112.992","0.003","90","","1033.5","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H26 O4 -","- C25 H26 O4 -","- C50 H52 O8 -","2","1","","Nieto-Oberhuber, Cristina; Pérez-Galán, Patricia; Herrero-Gómez, Elena; Lauterbach, Thorsten; Rodríguez, Cristina; López, Salomé; Bour, Christophe; Rosellón, Antonio; Cárdenas, Diego J.; Echavarren, Antonio M.","Gold(I)-Catalyzed Intramolecular [4+2] Cycloadditions of Arylalkynes or 1,3-Enynes with Alkenes: Scope and Mechanism","Journal of the American Chemical Society","2008","130","1","269","279","10.1021/ja075794x","","","0.71073","MoKα","","0.0422","0.0389","","","0.1051","0.1083","","","","","","1.059","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4101744","10.5493","0.0004","23.7803","0.0009","16.6927","0.0006","90","","90.11","0.002","90","","4187.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H63 Au Cl O3 P -","- C42 H63 Au Cl O3 P -","- C168 H252 Au4 Cl4 O12 P4 -","4","1","","Nieto-Oberhuber, Cristina; Pérez-Galán, Patricia; Herrero-Gómez, Elena; Lauterbach, Thorsten; Rodríguez, Cristina; López, Salomé; Bour, Christophe; Rosellón, Antonio; Cárdenas, Diego J.; Echavarren, Antonio M.","Gold(I)-Catalyzed Intramolecular [4+2] Cycloadditions of Arylalkynes or 1,3-Enynes with Alkenes: Scope and Mechanism","Journal of the American Chemical Society","2008","130","1","269","279","10.1021/ja075794x","","","0.71073","MoKα","","0.0486","0.0364","","","0.0913","0.0943","","","","","","1.048","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4101745","14.872","0.003","13.467","0.003","22.558","0.005","90","","90","","90","","4517.9","1.7","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","frowh01","","","- C23 H38 O4 Si -","- C23 H38 O4 Si -","- C184 H304 O32 Si8 -","8","1","","He, Wei; Huang, Jie; Sun, Xiufeng; Frontier, Alison J.","Total Synthesis of (±)-Merrilactone A","Journal of the American Chemical Society","2008","130","1","300","308","10.1021/ja0761986","","","0.71073","MoKα","","0.0624","0.0497","","","0.137","0.1447","","","","","","1.055","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101746","10.3046","0.0009","11.086","0.001","11.7039","0.001","90","","109.354","0.001","90","","1261.46","0.19","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","frowh03","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","1","","He, Wei; Huang, Jie; Sun, Xiufeng; Frontier, Alison J.","Total Synthesis of (±)-Merrilactone A","Journal of the American Chemical Society","2008","130","1","300","308","10.1021/ja0761986","","","0.71073","MoKα","","0.0448","0.0351","","","0.091","0.0971","","","","","","1.025","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101747","11.577","0.001","12.875","0.001","23.402","0.002","94.855","0.001","95.482","0.002","115.991","0.002","3089.7","0.4","123.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C67 H64 B2 F8 Fe2 N10 O3 -","- C67 H64 B2 F8 Fe2 N10 O3 -","- C134 H128 B4 F16 Fe4 N20 O6 -","2","1","","Yamashita, Mai; Furutachi, Hideki; Tosha, Takehiko; Fujinami, Shuhei; Saito, Wataru; Maeda, Yonezo; Takahashi, Kenji; Tanaka, Koji; Kitagawa, Teizo; Suzuki, Masatatsu","Regioselective arene hydroxylation mediated by a (mu-peroxo)diiron(III) complex: a functional model for toluene monooxygenase.","Journal of the American Chemical Society","2007","129","1","2","3","10.1021/ja063987z","","","0.7107","MoKα","","","0.0519","","","","0.0793","","","","","","1.381","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101748","11.75","0.0009","14.469","0.001","17.551","0.001","79.861","0.008","67.12","0.006","82.632","0.009","2700.3","0.3","123.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H54 Cl2 Fe2 N10 O11 -","- C54 H54 Cl2 Fe2 N10 O11 -","- C108 H108 Cl4 Fe4 N20 O22 -","2","1","","Yamashita, Mai; Furutachi, Hideki; Tosha, Takehiko; Fujinami, Shuhei; Saito, Wataru; Maeda, Yonezo; Takahashi, Kenji; Tanaka, Koji; Kitagawa, Teizo; Suzuki, Masatatsu","Regioselective arene hydroxylation mediated by a (mu-peroxo)diiron(III) complex: a functional model for toluene monooxygenase.","Journal of the American Chemical Society","2007","129","1","2","3","10.1021/ja063987z","","","0.7107","MoKα","","","0.0437","","","","0.0565","","","","","","1.436","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101749","12.497","0.002","22.823","0.003","13.582","0.002","90","","108.548","0.001","90","","3672.6","0.9","123.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H74 Cl8 Fe2 N10 O15 -","- C70 H63 Cl8 Fe2 N10 O15 -","- C140 H126 Cl16 Fe4 N20 O30 -","2","1","","Yamashita, Mai; Furutachi, Hideki; Tosha, Takehiko; Fujinami, Shuhei; Saito, Wataru; Maeda, Yonezo; Takahashi, Kenji; Tanaka, Koji; Kitagawa, Teizo; Suzuki, Masatatsu","Regioselective arene hydroxylation mediated by a (mu-peroxo)diiron(III) complex: a functional model for toluene monooxygenase.","Journal of the American Chemical Society","2007","129","1","2","3","10.1021/ja063987z","","","0.7107","MoKα","","","0.067","","","","0.0894","","","","","","1.416","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101750","14.539","0.005","15.527","0.006","16.016","0.006","96.173","0.003","111.734","0.006","116.84","0.004","2827.3","1.8","123.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C102 H112 Cl4 Fe4 N24 O24 -","- C102 H96 Cl4 Fe4 N24 O24 -","- C102 H96 Cl4 Fe4 N24 O24 -","1","0.5","","Yamashita, Mai; Furutachi, Hideki; Tosha, Takehiko; Fujinami, Shuhei; Saito, Wataru; Maeda, Yonezo; Takahashi, Kenji; Tanaka, Koji; Kitagawa, Teizo; Suzuki, Masatatsu","Regioselective arene hydroxylation mediated by a (mu-peroxo)diiron(III) complex: a functional model for toluene monooxygenase.","Journal of the American Chemical Society","2007","129","1","2","3","10.1021/ja063987z","","","0.7107","MoKα","","","0.0597","","","","0.0911","","","","","","1.456","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101751","11.2119","0.0004","37.5185","0.0013","13.2026","0.0005","90","","112.318","0.001","90","","5137.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H87 B Cl Fe P3 -","- C51 H87 B Cl Fe P3 -","- C204 H348 B4 Cl4 Fe4 P12 -","4","1","","Lu, Connie C.; Saouma, Caroline T.; Day, Michael W.; Peters, Jonas C.","Fe(I)-mediated reductive cleavage and coupling of CO(2): an Fe(II)(mu-O, mu-CO)Fe(II) core.","Journal of the American Chemical Society","2007","129","1","4","5","10.1021/ja065524z","","","0.71073","MoKα","","0.1442","0.0694","","","0.1094","0.1187","","","","","","1.387","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101752","11.2942","0.0006","14.092","0.0008","17.6538","0.0009","89.927","0.001","87.422","0.001","80.938","0.001","2771.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H98 B Fe P4 -","- C54 H98 B Fe P4 -","- C108 H196 B2 Fe2 P8 -","2","1","","Lu, Connie C.; Saouma, Caroline T.; Day, Michael W.; Peters, Jonas C.","Fe(I)-mediated reductive cleavage and coupling of CO(2): an Fe(II)(mu-O, mu-CO)Fe(II) core.","Journal of the American Chemical Society","2007","129","1","4","5","10.1021/ja065524z","","","0.71073","MoKα","","0.0787","0.0465","","","0.0804","0.0846","","","","","","1.443","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101753","11.271","0.0007","23.084","0.0015","22.3839","0.0014","90","","91.328","0.001","90","","5822.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H104 B Fe N P3 -","- C61 H104 B Fe N P3 -","- C244 H416 B4 Fe4 N4 P12 -","4","1","","Lu, Connie C.; Saouma, Caroline T.; Day, Michael W.; Peters, Jonas C.","Fe(I)-mediated reductive cleavage and coupling of CO(2): an Fe(II)(mu-O, mu-CO)Fe(II) core.","Journal of the American Chemical Society","2007","129","1","4","5","10.1021/ja065524z","","","0.71073","MoKα","","0.1848","0.1185","","","0.1912","0.1947","","","","","","3.506","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4101754","16.7997","0.0017","19.67","0.002","18.2319","0.0019","90","","105.532","0.002","90","","5804.7","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C129 H208 B2 Fe2 P6 -","- C129 H208 B2 Fe2 P6 -","- C258 H416 B4 Fe4 P12 -","2","0.5","","Lu, Connie C.; Saouma, Caroline T.; Day, Michael W.; Peters, Jonas C.","Fe(I)-mediated reductive cleavage and coupling of CO(2): an Fe(II)(mu-O, mu-CO)Fe(II) core.","Journal of the American Chemical Society","2007","129","1","4","5","10.1021/ja065524z","","","0.71073","MoKα","","0.1583","0.0774","","","0.141","0.1502","","","","","","2.077","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4101755","16.834","0.008","25.105","0.011","28.444","0.013","73.111","0.011","78.703","0.015","84.399","0.012","11269","9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C103 H178 B2 Fe2 O2 P6 -","- C103 H178 B2 Fe2 O2 P6 -","- C412 H712 B8 Fe8 O8 P24 -","4","2","","Lu, Connie C.; Saouma, Caroline T.; Day, Michael W.; Peters, Jonas C.","Fe(I)-mediated reductive cleavage and coupling of CO(2): an Fe(II)(mu-O, mu-CO)Fe(II) core.","Journal of the American Chemical Society","2007","129","1","4","5","10.1021/ja065524z","","","0.71073","MoKα","","0.3696","0.1564","","","0.1961","0.209","","","","","","1.481","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101756","15.138","0.0018","20.125","0.002","19.819","0.002","90","","110.896","0.002","90","","5640.8","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C123 H198 B2 Fe2 O4 P6 -","- C123 H198 B2 Fe2 O4 P6 -","- C246 H396 B4 Fe4 O8 P12 -","2","0.5","","Lu, Connie C.; Saouma, Caroline T.; Day, Michael W.; Peters, Jonas C.","Fe(I)-mediated reductive cleavage and coupling of CO(2): an Fe(II)(mu-O, mu-CO)Fe(II) core.","Journal of the American Chemical Society","2007","129","1","4","5","10.1021/ja065524z","","","0.71073","MoKα","","0.1306","0.0616","","","0.0938","0.1051","","","","","","1.312","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4101757","13.6402","0.0008","14.6845","0.0009","16.7752","0.001","71.35","0.003","89.149","0.003","62.553","0.003","2789.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H202 B2 Fe2 O6 P6 -","- C116 H202 B2 Fe2 O6 P6 -","- C116 H202 B2 Fe2 O6 P6 -","1","0.5","","Lu, Connie C.; Saouma, Caroline T.; Day, Michael W.; Peters, Jonas C.","Fe(I)-mediated reductive cleavage and coupling of CO(2): an Fe(II)(mu-O, mu-CO)Fe(II) core.","Journal of the American Chemical Society","2007","129","1","4","5","10.1021/ja065524z","","","0.71073","MoKα","","0.1128","0.0546","","","0.0886","0.097","","","","","","1.244","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101758","12.4947","0.0009","13.2846","0.0009","14.5047","0.0011","71.488","0.004","82.305","0.004","68.687","0.004","2126.4","0.3","150","","150","","","","","","","","C. Milios","5","P -1","-P 1","2","","","","- C40 H52 Mn3 N3 O13 -","- C40 H52 Mn3 N3 O13 -","- C80 H104 Mn6 N6 O26 -","2","1","","Milios, Constantinos J.; Vinslava, Alina; Wood, Peter A.; Parsons, Simon; Wernsdorfer, Wolfgang; Christou, George; Perlepes, Spyros P.; Brechin, Euan K.","A single-molecule magnet with a ""twist"".","Journal of the American Chemical Society","2007","129","1","8","9","10.1021/ja0666755","","","0.71073","MoKα","","0.0589","0.0339","","0.1033","0.0796","0.1033","","","","","","0.969","","","","has coordinates","264242","2021-04-16","08:51:38",""
"4101759","10.33","0.007","10.249","0.007","14.12","0.008","90","","95.595","0.014","90","","1487.8","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H21 B11 Si -","- C6 H21 B11 Si -","- C24 H84 B44 Si4 -","4","1","","Zhang, Jian; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Role of c,c'-linkage in the formation and stabilization of supercarboranes. Synthesis and structure of carbon-atoms-apart 13-vertex carborane and 14-vertex metallacarborane.","Journal of the American Chemical Society","2007","129","1","18","19","10.1021/ja067129e","","","0.71073","MoKα","","0.0893","0.051","","","0.1333","0.1654","","","","","","1.029","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101760","7.0551","0.0009","11.6875","0.0014","8.0262","0.001","90","","115.576","0.002","90","","596.96","0.13","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C4 H17 B11 -","- C4 H17 B11 -","- C8 H34 B22 -","2","0.5","","Zhang, Jian; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Role of c,c'-linkage in the formation and stabilization of supercarboranes. Synthesis and structure of carbon-atoms-apart 13-vertex carborane and 14-vertex metallacarborane.","Journal of the American Chemical Society","2007","129","1","18","19","10.1021/ja067129e","","","0.71073","MoKα","","0.0904","0.0724","","","0.2121","0.2415","","","","","","1.071","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101761","9.9962","0.0013","12.7008","0.0016","16.033","0.002","90","","90","","90","","2035.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H31 B11 Ru -","- C14 H31 B11 Ru -","- C56 H124 B44 Ru4 -","4","1","","Zhang, Jian; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Role of c,c'-linkage in the formation and stabilization of supercarboranes. Synthesis and structure of carbon-atoms-apart 13-vertex carborane and 14-vertex metallacarborane.","Journal of the American Chemical Society","2007","129","1","18","19","10.1021/ja067129e","","","0.71073","MoKα","","0.0306","0.0259","","","0.0605","0.0632","","","","","","1.088","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101762","25.348","0.0006","13.879","0.0004","23.199","0.0007","90","","114.679","0.001","90","","7416.1","0.4","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(1,2-dimethoxyethane)lithium(I) trans-1,1,4,4-tetrakis- [bis(trimethylsilyl)methyl]-1,4-diisopropyl-2-tetrasilene-2-yl-2-ide","","- C52 H127 Li O6 Si12 -","- C52 H127 Li O6 Si12 -","- C208 H508 Li4 O24 Si48 -","4","1","","Kinjo, Rei; Ichinohe, Masaaki; Sekiguchi, Akira","An isolable disilyne anion radical and a new route to the disilenide ion upon reduction of a disilyne.","Journal of the American Chemical Society","2007","129","1","26","27","10.1021/ja066762x","","","0.7107","MoKα","","0.0648","0.0494","","","0.1349","0.1456","","","","","","1.049","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101763","11.171","0.0008","22.179","0.0012","31.458","0.0019","90","","93.542","0.004","90","","7779.2","0.8","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1,4,4-tetrakis[bis(trimethylsilyl)methyl]-1,4-diisopropyl- 2-tetrasilyne anion radical","","- C50 H130 K O8 Si12 -","- C50 H130 K O8 Si12 -","- C200 H520 K4 O32 Si48 -","4","1","","Kinjo, Rei; Ichinohe, Masaaki; Sekiguchi, Akira","An isolable disilyne anion radical and a new route to the disilenide ion upon reduction of a disilyne.","Journal of the American Chemical Society","2007","129","1","26","27","10.1021/ja066762x","","","0.7107","MoKα","","0.1229","0.0712","","","0.1798","0.2145","","","","","","0.984","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101764","63.105","0.009","15.236","0.003","21.642","0.003","90","","91.699","0.005","90","","20799","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C123.5 H100.5 N8.5 P6 Pd1.5 -","- C123.5 H97.5 N8.5 P6 Pd1.5 -","- C988 H780 N68 P48 Pd12 -","8","1","","Dobbs, Kerwin D; Marshall, William J; Grushin, Vladimir V","Why excess cyanide can be detrimental to Pd-catalyzed cyanation of haloarenes. Facile formation and characterization of [Pd(CN)(3)(H)](2-) and [Pd(CN)(3)(Ph)](2-).","Journal of the American Chemical Society","2007","129","1","30","31","10.1021/ja066931d","","","0.71073","MoKα","","0.1843","0.1043","","","0.2563","0.3089","","","","","","1.365","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101765","7.6669","0.0012","14.484","0.002","17.268","0.003","66.9","0.002","87.29","0.002","87.172","0.003","1760.9","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 I K N8 O6 -","- C32 H28 I K N8 O6 -","- C64 H56 I2 K2 N16 O12 -","2","1","","Berryman, Orion B.; Bryantsev, Vyacheslav S.; Stay, David P.; Johnson, Darren W.; Hay, Benjamin P.","Structural criteria for the design of anion receptors: the interaction of halides with electron-deficient arenes.","Journal of the American Chemical Society","2007","129","1","48","58","10.1021/ja063460m","","","0.71073","MoKα","","0.0617","0.0457","","","0.0878","0.0986","","","","","","1.095","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101766","16.976","0.004","7.5295","0.0019","27.347","0.007","90","","102.415","0.005","90","","3413.8","1.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Br K N8 O6 -","- C32 H28 Br K N8 O6 -","- C128 H112 Br4 K4 N32 O24 -","4","1","","Berryman, Orion B; Bryantsev, Vyacheslav S; Stay, David P; Johnson, Darren W; Hay, Benjamin P","Structural criteria for the design of anion receptors: the interaction of halides with electron-deficient arenes.","Journal of the American Chemical Society","2007","129","1","48","58","10.1021/ja063460m","","","0.71073","MoKα","","0.1294","0.062","","","0.1039","0.1323","","","","","","0.996","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101767","7.5556","0.0009","14.2604","0.0017","17.523","0.003","66.019","0.002","89.215","0.003","86.695","0.002","1722.1","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 I N8 Na O6 -","- C32 H28 I N8 Na O6 -","- C64 H56 I2 N16 Na2 O12 -","2","1","","Berryman, Orion B; Bryantsev, Vyacheslav S; Stay, David P; Johnson, Darren W; Hay, Benjamin P","Structural criteria for the design of anion receptors: the interaction of halides with electron-deficient arenes.","Journal of the American Chemical Society","2007","129","1","48","58","10.1021/ja063460m","","","0.71073","MoKα","","0.0557","0.0403","","","0.0745","0.0846","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101768","28.793","0.0014","16.7444","0.0008","29.2296","0.0014","90","","116.024","0.001","90","","12663.4","1.1","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C76 H160 K4 N12 Ni2 O24 Sn17 -","- C76 H159.98 K4 N12 Ni2 O24 Sn17 -","- C304 H639.92 K16 N48 Ni8 O96 Sn68 -","4","0.5","","Esenturk, Emren N; Fettinger, James C; Eichhorn, Bryan W","Synthesis, structure, and dynamic properties of [Ni2Sn17]4-.","Journal of the American Chemical Society","2006","128","1","12","13","10.1021/ja055379+","","","0.71073","MoKα","","0.0271","0.0223","","","0.0543","0.0563","","","","","","1.072","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101769","28.302","0.0004","18.3435","0.0002","18.0349","0.0002","90","","106.193","0.001","90","","8991.51","0.19","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C93 H124 B2 Cl6 Fe2 N8 S2 -","- C93 H124 B2 Cl6 Fe2 N8 S2 -","- C372 H496 B8 Cl24 Fe8 N32 S8 -","4","1","","Frances Namuswe; Takahiro Hayashi; Yunbo Jiang; Gary D. Kasper; Amy A. Narducci Sarjeant; Pierre Moënne-Loccoz; David P. Goldberg","Influence of the Nitrogen Donors on Nonheme Iron Models of Superoxide Reductase: High-Spin FeIII-OOR Complexes","Journal of the American Chemical Society","2010","132","","157","167","10.1021/ja904818z","","","0.71073","MoKα","","0.085","0.061","","","0.1353","0.1449","","","","","","1.047","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101770","18.431","0.005","21.805","0.006","12.751","0.004","90","","102.806","0.004","90","","4997","2","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H76 Cl2 N2 O6 Pd -","- C51 H76 Cl2 N2 O6 Pd -","- C204 H304 Cl8 N8 O24 Pd4 -","4","1","","Stephen M. Goldup; David A. Leigh; Paul R. McGonigal; Vicki E. Ronaldson; Alexandra M. Z. Slawin","Two Axles Threaded Using a Single Template Site: Active Metal Template Macrobicyclic [3]Rotaxanes","Journal of the American Chemical Society","2010","132","","315","320","10.1021/ja9080716","","","0.71073","MoKα","","0.0928","0.0855","","","0.2288","0.2379","","","","","","1.07","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101771","12.245","0.003","14.106","0.003","15.104","0.003","63.58","0.03","78.33","0.03","66.59","0.03","2143.1","1.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","[Rh((C6H4)PPh2)(trop2PPh)]","","","- C112 H92 O P4 Rh2 -","- C114.465 H82 P4 Rh2 -","- C114.465 H82 P4 Rh2 -","1","0.5","","Florian F. Puschmann; Hansjörg Grützmacher; Bas de Bruin","Rhodium(0) Metalloradicals in Binuclear C-H Activation","Journal of the American Chemical Society","2010","132","","73","75","10.1021/ja909022p","","","0.7107","MoKα","","0.0493","0.0392","","","0.0814","0.0857","","","","","","0.99","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101772","10.6562","0.0004","9.0426","0.0004","25.5092","0.0011","90","","95.246","0.002","90","","2447.76","0.18","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H64 Br4 F6 P2 Pd2 -","- C38 H64 Br4 F6 P2 Pd2 -","- C76 H128 Br8 F12 P4 Pd4 -","2","0.5","","Brad P. Carrow; John. F. Hartwig","Ligandless, Anionic, Arylpalladium Halide Intermediates in the Heck Reaction","Journal of the American Chemical Society","2010","132","","79","81","10.1021/ja909306f","","","0.71073","MoKα","","0.092","0.0407","","","0.0857","0.104","","","","","","1.013","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101773","9.527","0.002","19.163","0.004","12.549","0.003","90","","110.754","0.003","90","","2142.4","0.8","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H66 Br4 P2 Pd2 -","- C36 H66 Br4 P2 Pd2 -","- C72 H132 Br8 P4 Pd4 -","2","1","","Brad P. Carrow; John. F. Hartwig","Ligandless, Anionic, Arylpalladium Halide Intermediates in the Heck Reaction","Journal of the American Chemical Society","2010","132","","79","81","10.1021/ja909306f","","","0.71073","MoKα","","0.0553","0.033","","","0.0613","0.0667","","","","","","0.984","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101774","31.4372","0.0006","20.4126","0.0004","20.8384","0.0003","90","","96.0642","0.0019","90","","13297.5","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65 H99 K N3 O10 U -","- C65 H99 K N3 O10 U -","- C520 H792 K8 N24 O80 U8 -","8","1","","Grégory Nocton; Pawel Horeglad; Valentina Vetere; Jacques Pécaut; Lionel Dubois; Pascale Maldivi; Norman M. Edelstein; Marinella Mazzanti","Synthesis, Structure, and Bonding of Stable Complexes of Pentavalent Uranyl","Journal of the American Chemical Society","2010","132","","495","508","10.1021/ja9037164","","","0.71073","MoKα","","0.0585","0.032","","","0.0695","0.0727","","","","","","0.919","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101775","11.85","0.002","13.9279","0.0012","26.375","0.005","82.17","0.01","84.019","0.014","69.999","0.012","4044.6","1.1","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H109 Co N7 O4 U -","- C79 H109 Co N7 O4 U -","- C158 H218 Co2 N14 O8 U2 -","2","1","","Grégory Nocton; Pawel Horeglad; Valentina Vetere; Jacques Pécaut; Lionel Dubois; Pascale Maldivi; Norman M. Edelstein; Marinella Mazzanti","Synthesis, Structure, and Bonding of Stable Complexes of Pentavalent Uranyl","Journal of the American Chemical Society","2010","132","","495","508","10.1021/ja9037164","","","0.71073","MoKα","","0.1599","0.0918","","","0.1974","0.2301","","","","","","0.955","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101776","17.4608","0.00019","21.55872","0.00018","15.06929","0.00015","90","","112.941","0.0012","90","","5223.9","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H78 K N2 O8 U -","- C52 H78 K N2 O8 U -","- C208 H312 K4 N8 O32 U4 -","4","1","","Grégory Nocton; Pawel Horeglad; Valentina Vetere; Jacques Pécaut; Lionel Dubois; Pascale Maldivi; Norman M. Edelstein; Marinella Mazzanti","Synthesis, Structure, and Bonding of Stable Complexes of Pentavalent Uranyl","Journal of the American Chemical Society","2010","132","","495","508","10.1021/ja9037164","","","0.71073","MoKα","","0.0444","0.0257","","","0.0532","0.0551","","","","","","0.882","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101777","12.83","0.003","14.283","0.003","16.894","0.005","90.61","0.02","104.71","0.02","116.42","0.01","2654.2","1.2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H38 Cl3 N6 Na O12 Ru Se4 -","- C48 H38 Cl3 N6 Na O12 Ru Se4 -","- C96 H76 Cl6 N12 Na2 O24 Ru2 Se8 -","2","1","","Alexander Laskavy; Linda J. W. Shimon; Leonid Konstantinovski; Mark A. Iron; Ronny Neumann","Activation of Molecular Oxygen by a Dioxygenase Pathway by a Ruthenium Bis-bipyridine Compound with a Proximal Selenium Site","Journal of the American Chemical Society","2010","132","","517","523","10.1021/ja9047027","","","0.71073","MoKα","","0.0877","0.058","","","0.143","0.1542","","","","","","1.038","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101778","21.8438","0.0004","21.8438","0.0004","21.8438","0.0004","99.34","","99.34","","99.34","","9956","0.3","100","2","100","2","","","","","","","","9","R -3 :R","-P 3*","148","","","","- C293 H221 Cl93 F36 N24 O12 P6 Ru6 Se24 -","- C293 H221 Cl93 F36 N24 O12 P6 Ru6 Se24 -","- C293 H221 Cl93 F36 N24 O12 P6 Ru6 Se24 -","1","0.166667","","Alexander Laskavy; Linda J. W. Shimon; Leonid Konstantinovski; Mark A. Iron; Ronny Neumann","Activation of Molecular Oxygen by a Dioxygenase Pathway by a Ruthenium Bis-bipyridine Compound with a Proximal Selenium Site","Journal of the American Chemical Society","2010","132","","517","523","10.1021/ja9047027","","","0.71073","MoKα","","0.1121","0.0591","","","0.1525","0.1984","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101779","21.3422","0.0003","13.3525","0.0002","19.5085","0.0003","90","","102.279","0.001","90","","5432.19","0.14","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H25 Cl2 N5 O10 Zn -","- C22 H25 Cl2 N5 O10 Zn -","- C176 H200 Cl16 N40 O80 Zn8 -","8","1","","Zhaochao Xu; Kyung-Hwa Baek; Ha Na Kim; Jingnan Cui; Xuhong Qian; David R. Spring; Injae Shin; Juyoung Yoon","Zn2±Triggered Amide Tautomerization Produces a Highly Zn2±Selective, Cell-Permeable, and Ratiometric Fluorescent Sensor","Journal of the American Chemical Society","2010","132","","601","610","10.1021/ja907334j","","","0.71073","MoKα","","0.0621","0.0438","","","0.1009","0.112","","","","","","1.039","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101780","10.5185","0.0004","10.3824","0.0005","31.1766","0.0014","90","","90.055","0.001","90","","3404.7","0.3","243","2","243","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 B Hg N7 O S4 -","- C29 H42 B Hg N7 O S4 -","- C116 H168 B4 Hg4 N28 O4 S16 -","4","1","","Jonathan G. Melnick; Kevin Yurkerwich; Gerard Parkin","On the Chalcogenophilicity of Mercury: Evidence for a Strong Hg-Se Bond in [TmBut]HgSePh and Its Relevance to the Toxicity of Mercury","Journal of the American Chemical Society","2010","132","","647","655","10.1021/ja907523x","","","0.71073","MoKα","","0.0434","0.0258","","","0.0626","0.0765","","","","","","1.036","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101781","9.4951","0.0007","32.986","0.003","10.4048","0.0008","90","","110.762","0.001","90","","3047.2","0.4","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 B Cl3 Hg N6 S3 -","- C22 H36 B Cl3 Hg N6 S3 -","- C88 H144 B4 Cl12 Hg4 N24 S12 -","4","1","","Jonathan G. Melnick; Kevin Yurkerwich; Gerard Parkin","On the Chalcogenophilicity of Mercury: Evidence for a Strong Hg-Se Bond in [TmBut]HgSePh and Its Relevance to the Toxicity of Mercury","Journal of the American Chemical Society","2010","132","","647","655","10.1021/ja907523x","","","0.71073","MoKα","","0.0711","0.041","","","0.0921","0.1018","","","","","","1.038","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101782","20.755","0.005","32.173","0.008","10.741","0.003","90","","101.385","0.004","90","","7031","3","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 B Hg N6 S3 Te -","- C30 H42 B Hg N6 S3 Te -","- C240 H336 B8 Hg8 N48 S24 Te8 -","8","2","","Jonathan G. Melnick; Kevin Yurkerwich; Gerard Parkin","On the Chalcogenophilicity of Mercury: Evidence for a Strong Hg-Se Bond in [TmBut]HgSePh and Its Relevance to the Toxicity of Mercury","Journal of the American Chemical Society","2010","132","","647","655","10.1021/ja907523x","","","0.71073","MoKα","","0.0918","0.0531","","","0.1391","0.1576","","","","","","1.094","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101783","10.4452","0.0005","32.4688","0.0015","10.6341","0.0005","90","","113.759","0.001","90","","3300.8","0.3","243","2","243","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 B Hg N6 S3 Se -","- C27 H39 B Hg N6 S3 Se -","- C108 H156 B4 Hg4 N24 S12 Se4 -","4","1","","Jonathan G. Melnick; Kevin Yurkerwich; Gerard Parkin","On the Chalcogenophilicity of Mercury: Evidence for a Strong Hg-Se Bond in [TmBut]HgSePh and Its Relevance to the Toxicity of Mercury","Journal of the American Chemical Society","2010","132","","647","655","10.1021/ja907523x","","","0.71073","MoKα","","0.0427","0.0268","","","0.054","0.0582","","","","","","1.025","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101784","10.235","0.003","32.516","0.009","10.447","0.003","90","","112.271","0.004","90","","3217.4","1.6","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 B Hg N6 S4 -","- C27 H39 B Hg N6 S4 -","- C108 H156 B4 Hg4 N24 S16 -","4","1","","Jonathan G. Melnick; Kevin Yurkerwich; Gerard Parkin","On the Chalcogenophilicity of Mercury: Evidence for a Strong Hg-Se Bond in [TmBut]HgSePh and Its Relevance to the Toxicity of Mercury","Journal of the American Chemical Society","2010","132","","647","655","10.1021/ja907523x","","","0.71073","MoKα","","0.1212","0.0489","","","0.0729","0.0882","","","","","","1.02","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101785","57.31","0.02","7.522","0.003","18.203","0.007","90","","98.1","0.006","90","","7769","5","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H22 N O5 Pd S -","- C19 H22 N O5 Pd S -","- C304 H352 N16 O80 Pd16 S16 -","16","4","","Ramesh Giri; Jonathan K. Lam; Jin-Quan Yu","Synthetic Applications of Pd(II)-Catalyzed C-H Carboxylation and Mechanistic Insights: Expedient Routes to Anthranilic Acids, Oxazolinones, and Quinazolinones","Journal of the American Chemical Society","2010","132","","686","693","10.1021/ja9077705","","","0.71073","MoKα","","0.0403","0.0385","","","0.1","0.1016","","","","","","1.05","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4101786","10.6326","0.0009","5.7924","0.0005","15.5841","0.0014","90","","107.396","0.006","90","","915.9","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C44 H46 N2 O6 -","2","1","","Yajing Lian; Huw M. L. Davies","Rhodium-Catalyzed [3 + 2] Annulation of Indoles","Journal of the American Chemical Society","2010","132","","440","441","10.1021/ja9078094","","","1.54178","CuKα","","0.0589","0.0313","","","0.0866","0.1062","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101787","10.3908","0.0018","8.4201","0.0016","12.468","0.002","90","","105.207","0.006","90","","1052.6","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H22 Br N O2 -","- C25 H22 Br N O2 -","- C50 H44 Br2 N2 O4 -","2","1","","Yajing Lian; Huw M. L. Davies","Rhodium-Catalyzed [3 + 2] Annulation of Indoles","Journal of the American Chemical Society","2010","132","","440","441","10.1021/ja9078094","","","1.54178","CuKα","","0.0545","0.0422","","","0.1257","0.1616","","","","","","1.148","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101788","8.4016","0.0008","12.9089","0.0014","18.1051","0.0016","90","","90","","90","","1963.6","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O2 -","- C25 H23 N O2 -","- C100 H92 N4 O8 -","4","1","","Yajing Lian; Huw M. L. Davies","Rhodium-Catalyzed [3 + 2] Annulation of Indoles","Journal of the American Chemical Society","2010","132","","440","441","10.1021/ja9078094","","","1.54178","CuKα","","0.1234","0.0798","","","0.2193","0.2789","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101789","15.453","0.002","16.161","0.002","24.311","0.003","76.646","0.002","86.741","0.002","67.404","0.002","5450.3","1.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C136 H115 B4 O18 -","- C136 H115 B4 O18 -","- C272 H230 B8 O36 -","2","1","","Naoki Nishimura; Kenji Yoza; Kenji Kobayashi","Guest-Encapsulation Properties of a Self-Assembled Capsule by Dynamic Boronic Ester Bonds","Journal of the American Chemical Society","2010","132","","777","790","10.1021/ja9084918","","","0.71073","MoKα","","0.1486","0.0867","","","0.2146","0.2622","","","","","","1.034","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101790","5.5536","0.0001","8.6287","0.0002","42.4623","0.0007","90","","90","","90","","2034.81","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Br O5 -","- C23 H21 Br O5 -","- C92 H84 Br4 O20 -","4","1","","Sheng Cui; Shawn D. Walker; Jacqueline C. S. Woo; Christopher J. Borths; Herschel Mukherjee; Maosheng J. Chen; Margaret M. Faul","Practical Asymmetric Conjugate Alkynylation of Meldrum's Acid-Derived Acceptors: Access to Chiral β-Alkynyl Acids","Journal of the American Chemical Society","2010","132","","436","437","10.1021/ja909105s","","x-ray","1.54178","CuKα","","0.0477","0.0408","","","0.0964","0.0996","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101791","12.9099","0.0015","16.726","0.002","17.744","0.002","90","","100.233","0.002","90","","3770.5","0.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H49 B2 F4 N6 O2 Os P -","- C32 H49 B2 F4 N6 O2 Os P -","- C128 H196 B8 F16 N24 O8 Os4 P4 -","4","1","","Ruth Castro-Rodrigo; Miguel A. Esteruelas; Ana M. López; Fernando López; José L. Mascareñas; Montserrat Oliván; Enrique Oñate; Lucía Saya; Lara Villarino","Cleavage of Both C(sp3)-C(sp2) Bonds of Alkylidenecyclopropanes: Formation of Ethylene-Osmium-Vinylidene Complexes","Journal of the American Chemical Society","2010","132","","454","455","10.1021/ja909240q","","","0.71073","MoKα","","0.0504","0.0384","","","0.0808","0.0849","","","","","","1.042","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101792","13.194","0.0012","13.2046","0.0012","17.0692","0.0015","92.519","0.002","96.857","0.002","118.83","0.001","2568.9","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H71 B2 N6 O Os P -","- C56 H71 B2 N6 O Os P -","- C112 H142 B4 N12 O2 Os2 P2 -","2","1","","Ruth Castro-Rodrigo; Miguel A. Esteruelas; Ana M. López; Fernando López; José L. Mascareñas; Montserrat Oliván; Enrique Oñate; Lucía Saya; Lara Villarino","Cleavage of Both C(sp3)-C(sp2) Bonds of Alkylidenecyclopropanes: Formation of Ethylene-Osmium-Vinylidene Complexes","Journal of the American Chemical Society","2010","132","","454","455","10.1021/ja909240q","","","0.71073","MoKα","","0.0416","0.0351","","","0.0742","0.077","","","","","","1.048","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101793","10.832","0.003","16.129","0.005","16.28","0.005","90","","97.185","0.005","90","","2821.9","1.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H41 B2 F4 N6 O Os P -","- C23 H41 B2 F4 N6 O Os P -","- C92 H164 B8 F16 N24 O4 Os4 P4 -","4","1","","Ruth Castro-Rodrigo; Miguel A. Esteruelas; Ana M. López; Fernando López; José L. Mascareñas; Montserrat Oliván; Enrique Oñate; Lucía Saya; Lara Villarino","Cleavage of Both C(sp3)-C(sp2) Bonds of Alkylidenecyclopropanes: Formation of Ethylene-Osmium-Vinylidene Complexes","Journal of the American Chemical Society","2010","132","","454","455","10.1021/ja909240q","","","0.71073","MoKα","","0.0517","0.0298","","","0.0485","0.0514","","","","","","0.838","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101794","30.984","0.003","7.2879","0.0006","21.4868","0.0011","90","","104.397","0.005","90","","4699.5","0.7","100","2","100","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","[Au2Ag2(p-C6F4I)4(OCMe2)2] (acet/hex)","","","- C36 H24 Ag2 Au2 F16 I4 O4 -","- C36 H24 Ag2 Au2 F16 I4 O4 -","- C144 H96 Ag8 Au8 F64 I16 O16 -","4","0.5","","Antonio Laguna; Tania Lasanta; José M. López-de-Luzuriaga; Miguel Monge; Panče Naumov; M. Elena Olmos","Combining Aurophilic Interactions and Halogen Bonding To Control the Luminescence from Bimetallic Gold-Silver Clusters","Journal of the American Chemical Society","2010","132","","456","457","10.1021/ja909241m","","x-ray","0.71073","MoKα","","0.1409","0.0678","","","0.1609","0.2026","","","","","","0.979","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101795","13.678","0.0004","7.6814","0.0003","17.4676","0.0005","90","","109.807","0.0019","90","","1726.68","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Au F5 N -","- C19 H11 Au F5 N -","- C76 H44 Au4 F20 N4 -","4","1","","Antonio Laguna; Tania Lasanta; José M. López-de-Luzuriaga; Miguel Monge; Panče Naumov; M. Elena Olmos","Combining Aurophilic Interactions and Halogen Bonding To Control the Luminescence from Bimetallic Gold-Silver Clusters","Journal of the American Chemical Society","2010","132","","456","457","10.1021/ja909241m","","","0.7107","MoKα","","0.0487","0.0339","","","0.08","0.0865","","","","","","1.084","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101796","46.2308","0.0011","14.7634","0.0006","31.4991","0.0011","90","","122.483","0.002","90","","18135.4","1.1","120","2","120","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","TLC134 thf/hx","","","- C34 H20 Ag2 Au2 F16 I4 O3 -","- C34 H20 Ag2 Au2 F16 I4 O3 -","- C544 H320 Ag32 Au32 F256 I64 O48 -","16","2","","Antonio Laguna; Tania Lasanta; José M. López-de-Luzuriaga; Miguel Monge; Panče Naumov; M. Elena Olmos","Combining Aurophilic Interactions and Halogen Bonding To Control the Luminescence from Bimetallic Gold-Silver Clusters","Journal of the American Chemical Society","2010","132","","456","457","10.1021/ja909241m","","x-ray","0.71073","MoKα","","0.1641","0.077","","","0.1591","0.1968","","","","","","1.01","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101797","10.1196","0.0004","10.5757","0.0006","10.6529","0.0006","65.682","0.002","72.493","0.003","84.767","0.003","990.11","0.09","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C32 H16 Ag2 Au2 F16 I4 O2 -","- C32 H16 Ag2 Au2 F16 I4 O2 -","- C32 H16 Ag2 Au2 F16 I4 O2 -","1","0.5","","Antonio Laguna; Tania Lasanta; José M. López-de-Luzuriaga; Miguel Monge; Panče Naumov; M. Elena Olmos","Combining Aurophilic Interactions and Halogen Bonding To Control the Luminescence from Bimetallic Gold-Silver Clusters","Journal of the American Chemical Society","2010","132","","456","457","10.1021/ja909241m","","x-ray","0.71073","MoKα","","0.0346","0.0318","","","0.0783","0.0798","","","","","","1.12","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101798","17.4331","0.0005","15.6926","0.0005","14.7773","0.0004","90","","109.09","0.001","90","","3820.3","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H6 Ag2 Au2 F16 I4 N2 -","- C28 H6 Ag2 Au2 F16 I4 N2 -","- C112 H24 Ag8 Au8 F64 I16 N8 -","4","0.5","","Antonio Laguna; Tania Lasanta; José M. López-de-Luzuriaga; Miguel Monge; Panče Naumov; M. Elena Olmos","Combining Aurophilic Interactions and Halogen Bonding To Control the Luminescence from Bimetallic Gold-Silver Clusters","Journal of the American Chemical Society","2010","132","","456","457","10.1021/ja909241m","","","0.71073","MoKα","","0.0367","0.0323","","","0.0822","0.0854","","","","","","1.057","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101799","8.9623","0.0006","17.635","0.0013","12.5098","0.0008","90","","105.836","0.004","90","","1902.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 Cl O2 -","- C23 H19 Cl O2 -","- C92 H76 Cl4 O8 -","4","2","","Bing-Feng Shi; Yang-Hui Zhang; Jonathan K. Lam; Dong-Hui Wang; Jin-Quan Yu","Pd(II)-Catalyzed Enantioselective C-H Olefination of Diphenylacetic Acids","Journal of the American Chemical Society","2010","132","","460","461","10.1021/ja909571z","","","1.54178","CuKα","","0.0369","0.0331","","","0.075","0.0836","","","","","","1.054","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101800","8.7295","0.0003","9.1322","0.0004","15.4663","0.0006","90","","90","","90","","1232.97","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Paula Álvarez-Bercedo; Areli Flores-Gaspar; Arkaitz Correa; Ruben Martin","Pd-Catalyzed Intramolecular Acylation of Aryl Bromides via C-H Functionalization: A Highly Efficient Synthesis of Benzocyclobutenones","Journal of the American Chemical Society","2010","132","","466","467","10.1021/ja909811t","","","0.71073","MoKα","","0.0495","0.0439","","","0.1109","0.1146","","","","","","1.072","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4101801","19.336","0.02","37.32","0.03","27.17","0.03","90","","100.48","0.04","90","","19279","3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C122.5 H120 N35.5 O45 Pd6 -","- C122.484 H120 N35.5 O44.998 Pd6 -","- C489.936 H480 N142 O179.992 Pd24 -","4","1","","Yoshihiro Yamauchi; Michito Yoshizawa; Munetaka Akita; Makoto Fujita","Engineering Double to Quintuple Stacks of a Polarized Aromatic in Confined Cavities","Journal of the American Chemical Society","2010","132","","960","966","10.1021/ja904063r","","","0.71073","MoKα","","0.4192","0.1887","","","0.4415","0.5792","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101802","9.0402","0.0004","9.0402","0.0004","25.26","0.003","90","","90","","90","","2064.4","0.3","298","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","1","","","- C20 H16 S4 Si2 -","- C20 H16 S4 Si2 -","- C80 H64 S16 Si8 -","4","0.5","","Takeshi Ohmae; Tohru Nishinaga; Mo Wu; Masahiko Iyoda","Cyclic Tetrathiophenes Planarized by Silicon and Sulfur Bridges Bearing Antiaromatic Cyclooctatetraene Core: Syntheses, Structures, and Properties","Journal of the American Chemical Society","2010","132","","1066","1074","10.1021/ja908161r","","","0.71073","MoKα","","0.0296","0.028","","","0.0709","0.0727","","","","","","1.051","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101803","19.715","","3.902","","17.846","","90","","90","","90","","1372.86","","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","2a","","","- C16 H4 S6 -","- C20.1333 H4.73333 S7.89333 -","- C60.4 H14.2 S23.68 -","3","0.75","","Takeshi Ohmae; Tohru Nishinaga; Mo Wu; Masahiko Iyoda","Cyclic Tetrathiophenes Planarized by Silicon and Sulfur Bridges Bearing Antiaromatic Cyclooctatetraene Core: Syntheses, Structures, and Properties","Journal of the American Chemical Society","2010","132","","1066","1074","10.1021/ja908161r","","","0.71073","MoKα","","0.0454","0.0402","","","0.1115","0.1168","","","","","","0.922","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101804","16.522","0.002","6.2465","0.0008","16.655","0.002","90","","101.261","0.003","90","","1685.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2b","","","- C28 H36 S6 Si4 -","- C28 H36 S6 Si4 -","- C56 H72 S12 Si8 -","2","0.5","","Takeshi Ohmae; Tohru Nishinaga; Mo Wu; Masahiko Iyoda","Cyclic Tetrathiophenes Planarized by Silicon and Sulfur Bridges Bearing Antiaromatic Cyclooctatetraene Core: Syntheses, Structures, and Properties","Journal of the American Chemical Society","2010","132","","1066","1074","10.1021/ja908161r","","","0.71073","MoKα","","0.045","0.0364","","","0.1007","0.1164","","","","","","1.169","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101805","6.4045","0.0019","10.484","0.003","26.798","0.008","90","","90.94","0.005","90","","1799.1","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3b","","","- C28 H36 O4 S6 Si4 -","- C28 H36 O4 S6 Si4 -","- C56 H72 O8 S12 Si8 -","2","0.5","","Takeshi Ohmae; Tohru Nishinaga; Mo Wu; Masahiko Iyoda","Cyclic Tetrathiophenes Planarized by Silicon and Sulfur Bridges Bearing Antiaromatic Cyclooctatetraene Core: Syntheses, Structures, and Properties","Journal of the American Chemical Society","2010","132","","1066","1074","10.1021/ja908161r","","","0.71073","MoKα","","0.0654","0.0482","","","0.1122","0.1289","","","","","","1.193","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101806","13.186","0.003","12.994","0.003","6.7057","0.0014","90","","90","","90","","1148.9","0.4","298","2","298","2","","","","","","","","4","C m c 21","C 2c -2","36","5","","","- C10 H10 S2 Si -","- C10 H10 S2 Si -","- C40 H40 S8 Si4 -","4","0.5","","Takeshi Ohmae; Tohru Nishinaga; Mo Wu; Masahiko Iyoda","Cyclic Tetrathiophenes Planarized by Silicon and Sulfur Bridges Bearing Antiaromatic Cyclooctatetraene Core: Syntheses, Structures, and Properties","Journal of the American Chemical Society","2010","132","","1066","1074","10.1021/ja908161r","","","0.71073","MoKα","","0.0284","0.0276","","","0.0702","0.0725","","","","","","1.115","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101807","9.037","0.004","5.959","0.002","15.129","0.006","90","","97.172","0.006","90","","808.3","0.6","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7","","","- C8 H4 S3 -","- C8 H4 S3 -","- C32 H16 S12 -","4","1","","Takeshi Ohmae; Tohru Nishinaga; Mo Wu; Masahiko Iyoda","Cyclic Tetrathiophenes Planarized by Silicon and Sulfur Bridges Bearing Antiaromatic Cyclooctatetraene Core: Syntheses, Structures, and Properties","Journal of the American Chemical Society","2010","132","","1066","1074","10.1021/ja908161r","","","0.71073","MoKα","","0.0396","0.0336","","","0.084","0.09","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101808","7.5141","0.0013","7.8398","0.0014","15.087","0.003","90","","92.208","0.003","90","","888.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","9","","","- C8 H4 O2 S3 -","- C8 H4 O2 S3 -","- C32 H16 O8 S12 -","4","1","","Takeshi Ohmae; Tohru Nishinaga; Mo Wu; Masahiko Iyoda","Cyclic Tetrathiophenes Planarized by Silicon and Sulfur Bridges Bearing Antiaromatic Cyclooctatetraene Core: Syntheses, Structures, and Properties","Journal of the American Chemical Society","2010","132","","1066","1074","10.1021/ja908161r","","","0.71073","MoKα","","0.0497","0.0382","","","0.0916","0.1173","","","","","","1.162","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101809","12.2403","0.0008","15.7531","0.0011","16.6894","0.0011","90","","90","","90","","3218.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-D-Pro-Aib-Ala-Aib-Val-OMe","t-Butyloxycarbonyl-D-prolyl-alpha-aminoisobutyryl-alanyl -alpha-aminoisobutyryl-valyl-methyl ester","","- C27 H47 N5 O8 -","- C27 H47 N5 O8 -","- C108 H188 N20 O32 -","4","1","","Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hydrophobic Peptide Channels and Encapsulated Water Wires","Journal of the American Chemical Society","2010","132","","1075","1086","10.1021/ja9083978","","","0.71073","MoKα","","0.0501","0.0439","","","0.1249","0.1313","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101810","10.3268","0.0008","18.7549","0.0015","18.9682","0.0016","90","","90","","90","","3673.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-D-Pro-Aib-Phe-Aib-Val-OMe","t-Butyloxycarbonyl-D-prolyl-alpha-aminoisobutyryl-phenylalanyl -alpha-aminoisobutyryl-valyl-methyl ester","","- C33 H51 N5 O8 -","- C33 H51 N5 O8 -","- C132 H204 N20 O32 -","4","1","","Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hydrophobic Peptide Channels and Encapsulated Water Wires","Journal of the American Chemical Society","2010","132","","1075","1086","10.1021/ja9083978","","","0.71073","MoKα","","0.0582","0.0472","","","0.1325","0.1418","","","","","","1.101","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101811","12.2528","0.0012","15.7498","0.0016","16.6866","0.0016","90","","90","","90","","3220.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Pro-Aib-D-Ala-Aib-D-Val-OMe","t-Butyloxycarbonyl-prolyl-alpha-aminoisobutyryl -D-alanyl-alpha-aminoisobutyryl-D-valyl-methyl ester","","- C27 H47 N5 O8 -","- C27 H47 N5 O8 -","- C108 H188 N20 O32 -","4","1","","Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hydrophobic Peptide Channels and Encapsulated Water Wires","Journal of the American Chemical Society","2010","132","","1075","1086","10.1021/ja9083978","","","0.71073","MoKα","","0.059","0.0473","","","0.1278","0.138","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101812","10.3354","0.0005","18.7733","0.001","18.982","0.001","90","","90","","90","","3683.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Pro-Aib-D-Phe-Aib-D-Val-OMe","t-Butyloxycarbonyl-prolyl-alpha-aminoisobutyryl -D-phenylalanyl-alpha-aminoisobutyryl-D-valyl-methyl ester","","- C33 H51 N5 O8 -","- C33 H51 N5 O8 -","- C132 H204 N20 O32 -","4","1","","Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hydrophobic Peptide Channels and Encapsulated Water Wires","Journal of the American Chemical Society","2010","132","","1075","1086","10.1021/ja9083978","","","0.71073","MoKα","","0.0612","0.051","","","0.1526","0.1638","","","","","","0.996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101813","24.4102","0.0008","24.4102","0.0008","10.6627","0.0007","90","","90","","120","","5502.3","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","Boc-Pro-Aib-D-Leu-Aib-D-Val-OMe","t-Butyloxycarbonyl-prolyl-alpha-aminoisobutyryl -D-leucyl-alpha-aminoisobutyryl-D-valyl-methyl ester","","- C30 H53 N5 O8 -","- C30 H53 N5 O8 -","- C180 H318 N30 O48 -","6","1","","Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hydrophobic Peptide Channels and Encapsulated Water Wires","Journal of the American Chemical Society","2010","132","","1075","1086","10.1021/ja9083978","","","0.71073","MoKα","","0.0668","0.0543","","","0.1495","0.1605","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101814","24.3645","0.0014","24.3645","0.0014","10.4875","0.0014","90","","90","","120","","5391.6","0.8","293","2","293","2","","","","","","","","4","P 61","P 61","169","Boc-Pro-Aib-D-Val-Aib-D-Val-OMe","t-Butyloxycarbonyl-prolyl-alpha-aminoisobutyryl -D-valyl-alpha-aminoisobutyryl-D-valyl-methyl ester","","- C29 H51 N5 O8.17 -","- C29 H51 N5 O8.17 -","- C174 H306 N30 O49.02 -","6","1","","Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hydrophobic Peptide Channels and Encapsulated Water Wires","Journal of the American Chemical Society","2010","132","","1075","1086","10.1021/ja9083978","","","0.71073","MoKα","","0.1936","0.0745","","","0.181","0.2426","","","","","","0.934","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101815","20.728","0.004","9.1079","0.0015","19.573","0.003","90","","94.207","0.003","90","","3685.2","1.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Boc-Pro-Aib-D-Val-Aib-D-Val-OMe","t-Butyloxycarbonyl-prolyl-alpha-aminoisobutyryl-D-valyl -alpha-aminoisobutyryl-D-valyl-methyl ester","","- C29 H51 N5 O10 -","- C29 H51 N5 O10 -","- C116 H204 N20 O40 -","4","1","","Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hydrophobic Peptide Channels and Encapsulated Water Wires","Journal of the American Chemical Society","2010","132","","1075","1086","10.1021/ja9083978","","","0.71073","MoKα","","0.0774","0.0672","","","0.1784","0.1897","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101816","14.438","0.003","18.437","0.004","12.997","0.003","90","","90","","90","","3459.7","1.3","123","2","123.15","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C9.6 H8 B0.8 Co0.4 Fe0.8 N7.2 -","- C9.6 H8 B0.8 Co0.4 Fe0.8 N7.2 -","- C96 H80 B8 Co4 Fe8 N72 -","10","0.625","","Yan-Juan Zhang; Tao Liu; Shinji Kanegawa; Osamu Sato","Interconversion between a Nonporous Nanocluster and a Microporous Coordination Polymer Showing Selective Gas Adsorption","Journal of the American Chemical Society","2010","132","","912","913","10.1021/ja908670u","","","0.71073","MoKα","","0.1091","0.1089","","","0.2007","0.2007","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101817","19.978","0.005","13.293","0.003","33.001","0.008","90","","91.007","0.002","90","","8763","4","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H92 F12 N18 O14 P2 -","- C100 H118 F14 N12 O18 P2 -","- C400 H472 F56 N48 O72 P8 -","4","0.5","","Dennis Cao; Matteo Amelia; Liana M. Klivansky; Gayane Koshkakaryan; Saeed I. Khan; Monica Semeraro; Serena Silvi; Margherita Venturi; Alberto Credi; Yi Liu","Probing Donor-Acceptor Interactions and Co-Conformational Changes in Redox Active Desymmetrized [2]Catenanes","Journal of the American Chemical Society","2010","132","","1110","1122","10.1021/ja909041g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101818","13.604","0.003","27.331","0.007","22.298","0.006","90","","91.513","0.005","90","","8288","4","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H82 F12 N8 O14 P2 S4 -","- C78 H82 F16 N8 O14 P2 S4 -","- C312 H328 F64 N32 O56 P8 S16 -","4","1","","Dennis Cao; Matteo Amelia; Liana M. Klivansky; Gayane Koshkakaryan; Saeed I. Khan; Monica Semeraro; Serena Silvi; Margherita Venturi; Alberto Credi; Yi Liu","Probing Donor-Acceptor Interactions and Co-Conformational Changes in Redox Active Desymmetrized [2]Catenanes","Journal of the American Chemical Society","2010","132","","1110","1122","10.1021/ja909041g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101819","27.177","0.004","21.223","0.003","27.88","0.004","90","","90","","90","","16081","4","","","","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C82 H84 F12 N8 O14 P2 S4 -","- C107 H119 F12 N9.5 O19 P2 S4 -","- C856 H952 F96 N76 O152 P16 S32 -","8","1","","Dennis Cao; Matteo Amelia; Liana M. Klivansky; Gayane Koshkakaryan; Saeed I. Khan; Monica Semeraro; Serena Silvi; Margherita Venturi; Alberto Credi; Yi Liu","Probing Donor-Acceptor Interactions and Co-Conformational Changes in Redox Active Desymmetrized [2]Catenanes","Journal of the American Chemical Society","2010","132","","1110","1122","10.1021/ja909041g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101820","13.183","0.0004","13.2275","0.0004","24.4548","0.0008","90","","94.501","0.001","90","","4251.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 Cl2 N4 Si2 -","- C44 H56 Cl2 N4 Si2 -","- C176 H224 Cl8 N16 Si8 -","4","1","","Sakya S. Sen; Herbert W. Roesky; Daniel Stern; Julian Henn; Dietmar Stalke","High Yield Access to Silylene RSiCl (R = PhC(NtBu)2) and Its Reactivity toward Alkyne: Synthesis of Stable Disilacyclobutene","Journal of the American Chemical Society","2010","132","","1123","1126","10.1021/ja9091374","","","0.71073","MoKα","","0.058","0.0479","","","0.133","0.1388","","","","","","1.13","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101821","18.4","0.02","6.935","0.007","11.075","0.011","90","","90","","90","","1413","3","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H4 Cl Fe O5 -","- C8 Cl Fe O5 -","- C32 Cl4 Fe4 O20 -","4","0.25","","Thomas Devic; Patricia Horcajada; Christian Serre; Fabrice Salles; Guillaume Maurin; Béatrice Moulin; Daniela Heurtaux; Guillaume Clet; Alexandre Vimont; Jean-Marc Grenèche; Benjamin Le Ouay; Florian Moreau; Emmanuel Magnier; Yaroslav Filinchuk; Jerôme Marrot; Jean-Claude Lavalley; Marco Daturi; Gérard Férey","Functionalization in Flexible Porous Solids: Effects on the Pore Opening and the Host-Guest Interactions","Journal of the American Chemical Society","2010","132","","1127","1136","10.1021/ja9092715","","","0.71073","MoKα","","0.1781","0.1077","","","0.254","0.2881","","","","","","1.019","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101822","17.841","0.004","6.8729","0.0015","11.839","0.003","90","","90","","90","","1451.7","0.6","293","2","293","2","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 H5 Fe O7 -","- C8 Fe O7 -","- C32 Fe4 O28 -","4","0.25","","Thomas Devic; Patricia Horcajada; Christian Serre; Fabrice Salles; Guillaume Maurin; Béatrice Moulin; Daniela Heurtaux; Guillaume Clet; Alexandre Vimont; Jean-Marc Grenèche; Benjamin Le Ouay; Florian Moreau; Emmanuel Magnier; Yaroslav Filinchuk; Jerôme Marrot; Jean-Claude Lavalley; Marco Daturi; Gérard Férey","Functionalization in Flexible Porous Solids: Effects on the Pore Opening and the Host-Guest Interactions","Journal of the American Chemical Society","2010","132","","1127","1136","10.1021/ja9092715","","","0.71073","MoKα","","0.1149","0.0734","","","0.227","0.2455","","","","","","1.199","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101823","14.008","0.003","11.521","0.0013","15.701","0.003","90","","96.679","0.01","90","","2516.7","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H26 N3 O9 Zn2 -","- C47 H26 N3 O9 Zn2 -","- C94 H52 N6 O18 Zn4 -","2","1","","Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp","Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block","Journal of the American Chemical Society","2010","132","","950","952","10.1021/ja909519e","","","1.54178","CuKα","","0.1717","0.1266","","","0.3567","0.3954","","","","","","1.546","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101824","11.2038","0.0019","13.975","0.003","15.848","0.003","90","","90","","90","","2481.4","0.8","100","2","100","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- C22 H12 Br N O4 Zn -","- C22 H12 Br N O4 Zn -","- C44 H24 Br2 N2 O8 Zn2 -","2","0.25","","Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp","Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block","Journal of the American Chemical Society","2010","132","","950","952","10.1021/ja909519e","","","1.54178","CuKα","","0.0902","0.0487","","","0.1097","0.117","","","","","","0.808","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101825","15.654","0.001","15.9467","0.0011","11.6268","0.0008","90","","90","","90","","2902.4","0.3","100","2","100","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C22 H13 N2 O4 Zn -","- C22 H13 N2 O4 Zn -","- C88 H52 N8 O16 Zn4 -","4","1","","Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp","Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block","Journal of the American Chemical Society","2010","132","","950","952","10.1021/ja909519e","","","0.41823","","","0.0908","0.0802","","","0.2087","0.2204","","","","","","0.837","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101826","11.711","0.0016","15.6181","0.0012","16.0362","0.0019","90","","90.205","0.01","90","","2933.1","0.6","100","2","100","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C22 H12 Br N2 O4 Zn -","- C22 H12 Br N2 O4 Zn -","- C44 H24 Br2 N4 O8 Zn2 -","2","0.5","","Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp","Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block","Journal of the American Chemical Society","2010","132","","950","952","10.1021/ja909519e","","","0.71073","MoKα","","0.13","0.0956","","","0.2285","0.2456","","","","","","0.874","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101827","15.674","0.002","18.118","0.002","11.5857","0.0014","90","","90","","90","","3290.1","0.7","100","2","100","2","","","","","","","","5","P 1 1 21","P 2c","4","","","","- C46 H30 N6 O8 Zn2 -","- C46 H30 N6 O8 Zn2 -","- C92 H60 N12 O16 Zn4 -","2","1","","Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp","Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block","Journal of the American Chemical Society","2010","132","","950","952","10.1021/ja909519e","","","0.41328","","","0.159","0.1391","","","0.3553","0.3832","","","","","","1.196","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101828","11.6151","0.0011","15.648","0.001","18.163","0.003","90","","93.202","0.01","90","","3296","0.7","100","2","100","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C23 H14 Br N3 O4 Zn -","- C23 H14 Br N3 O4 Zn -","- C46 H28 Br2 N6 O8 Zn2 -","2","0.5","","Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp","Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block","Journal of the American Chemical Society","2010","132","","950","952","10.1021/ja909519e","","","0.71073","MoKα","","0.1484","0.1096","","","0.2624","0.2873","","","","","","0.912","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101829","10.1617","0.0013","16.451","0.002","22.313","0.003","90","","90","","90","","3730.1","0.8","100","2","100","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- C29 H14 Br N2 O6 Zn -","- C29 H14 Br N2 O6 Zn -","- C58 H28 Br2 N4 O12 Zn2 -","2","0.25","","Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp","Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block","Journal of the American Chemical Society","2010","132","","950","952","10.1021/ja909519e","","","1.54178","CuKα","","0.1236","0.0906","","","0.2187","0.2368","","","","","","0.981","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101830","14.199","","14.199","","39.0767","0.0005","90","","90","","120","","6822.82","0.09","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C90 H42 Ir2 N12 O20 Zn4 -","- C90 H42 Ir2 N12 O20 Zn4 -","- C270 H126 Ir6 N36 O60 Zn12 -","3","0.166667","","Zhigang Xie; Liqing Ma; Kathryn E. deKrafft; Athena Jin; Wenbin Lin","Porous Phosphorescent Coordination Polymers for Oxygen Sensing","Journal of the American Chemical Society","2010","132","","922","923","10.1021/ja909629f","","","1.54178","CuKα","","0.0419","0.0414","","","0.1254","0.1259","","","","","","1.001","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101831","17.1946","0.0003","18.1317","0.0003","27.9639","0.0006","71.293","0.002","90","","90","","8257.7","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C174 H84 Ir4 N18 O36 Zn6 -","- C174 H84 Ir4 N18 O36 Zn6 -","- C348 H168 Ir8 N36 O72 Zn12 -","2","1","","Zhigang Xie; Liqing Ma; Kathryn E. deKrafft; Athena Jin; Wenbin Lin","Porous Phosphorescent Coordination Polymers for Oxygen Sensing","Journal of the American Chemical Society","2010","132","","922","923","10.1021/ja909629f","","","1.54178","CuKα","","0.1852","0.0849","","","0.1873","0.2399","","","","","","1.035","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101832","13.7071","0.0002","17.0996","0.0003","17.8304","0.0003","90.467","0.001","109.629","0.0009","90.097","0.001","3936.16","0.11","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H42 Ir2 N8 O19 Zn2.5 -","- C78 H42 Ir2 N8 O19 Zn2.5 -","- C156 H84 Ir4 N16 O38 Zn5 -","2","1","","Zhigang Xie; Liqing Ma; Kathryn E. deKrafft; Athena Jin; Wenbin Lin","Porous Phosphorescent Coordination Polymers for Oxygen Sensing","Journal of the American Chemical Society","2010","132","","922","923","10.1021/ja909629f","","","1.54178","CuKα","","0.0588","0.0417","","","0.1063","0.1107","","","","","","0.975","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101833","19.121","0.003","21.195","0.003","21.618","0.003","90","","90","","90","","8761","2","113","2","113","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C95 H90 B F24 Ir N O P -","- C95 H90 B F24 Ir N O P -","- C380 H360 B4 F96 Ir4 N4 O4 P4 -","4","1","","Shen Li; Shou-Fei Zhu; Jian-Hua Xie; Song Song; Can-Ming Zhang; Qi-Lin Zhou","Enantioselective Hydrogenation of α-Aryloxy and α-Alkoxy α,β-Unsaturated Carboxylic Acids Catalyzed by Chiral Spiro Iridium/Phosphino-Oxazoline Complexes","Journal of the American Chemical Society","2010","132","","1172","1179","10.1021/ja909810k","","","0.7107","MoKα","","0.0588","0.0496","","","0.0847","0.088","","","","","","1.044","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101834","10.796","0.0002","10.796","0.0002","16.8101","0.0005","90","","90","","120","","1696.78","0.07","140","2","140","2","","","","","","","","6","P 32","P 32","145","","","","- C20 H18 Fe2 N2 O6 S2 -","- C20 H18 Fe2 N2 O6 S2 -","- C60 H54 Fe6 N6 O18 S6 -","3","1","","Dafa Chen; Rosario Scopelliti; Xile Hu","Synthesis and Reactivity of Iron Acyl Complexes Modeling the Active Site of [Fe]-Hydrogenase","Journal of the American Chemical Society","2010","132","","928","929","10.1021/ja9100485","","","0.71073","MoKα","","0.0326","0.0266","","","0.0468","0.0479","","","","","","0.973","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101835","11.4641","0.0005","17.338","0.0008","13.0286","0.0006","90","","103.027","0.005","90","","2523","0.2","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Fe N O3 P S -","- C28 H24 Fe N O3 P S -","- C112 H96 Fe4 N4 O12 P4 S4 -","4","1","","Dafa Chen; Rosario Scopelliti; Xile Hu","Synthesis and Reactivity of Iron Acyl Complexes Modeling the Active Site of [Fe]-Hydrogenase","Journal of the American Chemical Society","2010","132","","928","929","10.1021/ja9100485","","","0.71073","MoKα","","0.0593","0.0388","","","0.0839","0.0886","","","","","","1.038","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101836","15.205","0.0005","11.602","0.0004","32.716","0.0006","90","","95.385","0.002","90","","5745.9","0.3","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","E-1,1,4,4-Tetrakis[bis(trimethylsilyl)methyl]- 1,4-diisopropyl-2-diethylamino-2-tetrasilene","","- C38 H101 N Si12 -","- C38 H101 N Si12 -","- C152 H404 N4 Si48 -","4","1","","Katsuhiko Takeuchi; Masao Ikoshi; Masaaki Ichinohe; Akira Sekiguchi","Addition of Amines and Hydroborane to the Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]2) Giving Amino- and Boryl-Substituted Disilenes","Journal of the American Chemical Society","2010","132","","930","931","10.1021/ja910157h","","","0.7107","MoKα","","0.0696","0.0529","","","0.1392","0.1504","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101837","20.579","0.0009","17.723","0.0006","19.808","0.0008","90","","119.906","0.002","90","","6262.4","0.4","150","0.1","150","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","trans-1,1,4,4-tetrakis[bis(trimethylsilyl)methyl]- 1,4-diisopropyl-2-(N,N-diphenylamino)-2-tetrasilene","","- C46 H101 N Si12 -","- C46 H100 N Si12 -","- C184 H400 N4 Si48 -","4","1","","Katsuhiko Takeuchi; Masao Ikoshi; Masaaki Ichinohe; Akira Sekiguchi","Addition of Amines and Hydroborane to the Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]2) Giving Amino- and Boryl-Substituted Disilenes","Journal of the American Chemical Society","2010","132","","930","931","10.1021/ja910157h","","","0.7107","MoKα","","0.0543","0.0447","","","0.1188","0.1239","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101838","15.421","0.0005","11.592","0.0004","37.112","0.0007","90","","98.946","0.002","90","","6553.4","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","E-1,1,4,4-Tetrakis[bis(trimethylsilyl)methyl]-1,4-diisopropyl- 2-(9-borabicyclo[3.3.1]nonan-9-yl]-2-tetrasilene","","- C49 H113 B Si12 -","- C49 H113 B Si12 -","- C196 H452 B4 Si48 -","4","1","","Katsuhiko Takeuchi; Masao Ikoshi; Masaaki Ichinohe; Akira Sekiguchi","Addition of Amines and Hydroborane to the Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]2) Giving Amino- and Boryl-Substituted Disilenes","Journal of the American Chemical Society","2010","132","","930","931","10.1021/ja910157h","","","0.7107","MoKα","","0.0711","0.0506","","","0.1365","0.1476","","","","","","1.051","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101839","25.0154","0.0013","11.3144","0.0006","22.0186","0.0011","90","","109.649","0.002","90","","5869.1","0.5","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H44 F O2 P Pd Si -","- C27 H44 F O2 P Pd Si -","- C216 H352 F8 O16 P8 Pd8 Si8 -","8","1","","Scott E. Denmark; Russell C. Smith","Mechanistic Duality in Palladium-Catalyzed Cross-Coupling Reactions of Aryldimethylsilanolates. Intermediacy of an 8-Si-4 Arylpalladium(II) Silanolate","Journal of the American Chemical Society","2010","132","","1243","1245","10.1021/ja907049y","","","0.71073","MoKα","","0.0429","0.0281","","","0.0611","0.0668","","","","","","1.029","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101840","12.5239","0.0003","12.6398","0.0004","15.2157","0.0004","90.909","0.002","105.17","0.001","103.595","0.002","2251.87","0.11","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H50 O2 P2 Pd Si -","- C52 H50 O2 P2 Pd Si -","- C104 H100 O4 P4 Pd2 Si2 -","2","1","","Scott E. Denmark; Russell C. Smith","Mechanistic Duality in Palladium-Catalyzed Cross-Coupling Reactions of Aryldimethylsilanolates. Intermediacy of an 8-Si-4 Arylpalladium(II) Silanolate","Journal of the American Chemical Society","2010","132","","1243","1245","10.1021/ja907049y","","","0.71073","MoKα","","0.0522","0.0353","","","0.0778","0.0847","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101841","5.5286","0.0002","7.7518","0.0003","19.4144","0.0006","90","","91.466","0.002","90","","831.76","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C44 H40 O4 -","2","1","","Sha Lou; Gregory C. Fu","Nickel/Bis(oxazoline)-Catalyzed Asymmetric Kumada Reactions of Alkyl Electrophiles: Cross-Couplings of Racemic α-Bromoketones","Journal of the American Chemical Society","2010","132","","1264","1266","10.1021/ja909689t","","","1.54178","CuKα","","0.0385","0.0376","","","0.1044","0.1049","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101842","10.0926","0.0011","7.019","0.0008","10.2938","0.0011","90","","108.555","0.003","90","","691.31","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 O4 S -","- C13 H16 O4 S -","- C26 H32 O8 S2 -","2","1","","Christopher J. Flynn; Curtis J. Elcoate; Simon E. Lawrence; Anita R. Maguire","Highly Enantioselective Intramolecular Copper Catalyzed C-H Insertion Reactions of α-Diazosulfones","Journal of the American Chemical Society","2010","132","","1184","1185","10.1021/ja909713a","","","0.71073","MoKα","","0.0376","0.0305","","","0.0714","0.0759","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101843","5.7607","0.0007","11.1384","0.0016","20.346","0.003","90","","90","","90","","1305.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O4 S -","- C13 H16 O4 S -","- C52 H64 O16 S4 -","4","1","","Christopher J. Flynn; Curtis J. Elcoate; Simon E. Lawrence; Anita R. Maguire","Highly Enantioselective Intramolecular Copper Catalyzed C-H Insertion Reactions of α-Diazosulfones","Journal of the American Chemical Society","2010","132","","1184","1185","10.1021/ja909713a","","","0.71073","MoKα","","0.0774","0.0441","","","0.0911","0.105","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101844","5.794","0.004","14.547","0.014","18.538","0.013","90","","90","","90","","1562","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O3 S -","- C18 H18 O3 S -","- C72 H72 O12 S4 -","4","1","","Christopher J. Flynn; Curtis J. Elcoate; Simon E. Lawrence; Anita R. Maguire","Highly Enantioselective Intramolecular Copper Catalyzed C-H Insertion Reactions of α-Diazosulfones","Journal of the American Chemical Society","2010","132","","1184","1185","10.1021/ja909713a","","","0.71073","MoKα","","0.0681","0.0406","","","0.0778","0.087","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101845","13.8993","0.0005","5.3222","0.00019","21.5004","0.0009","90","","107.142","0.002","90","","1519.84","0.1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-(+)-Benzyloxyacetic acid 1-(toluene-4-sulfonyl)-4 -undecylidenepyrrolidin-3-yl ester","","- C31 H43 N O5 S -","- C31 H43 N O5 S -","- C62 H86 N2 O10 S2 -","2","1","","Rie Tanaka; Keiichi Noguchi; Ken Tanaka","Rhodium-Catalyzed Asymmetric Reductive Cyclization of Heteroatom-Linked 5-Alkynals with Heteroatom-Substituted Acetaldehydes","Journal of the American Chemical Society","2010","132","","1238","1239","10.1021/ja9104655","","","1.54187","CuKα","","0.1097","0.0658","","","0.1525","0.1985","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101846","14.2115","0.0015","20.2651","0.0019","18.9643","0.0019","90","","96.746","0.002","90","","5423.9","0.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C61 H78 N5 V -","- C61 H78 N5 V -","- C244 H312 N20 V4 -","4","1","","Ba L. Tran; Maren Pink; Xinfeng Gao; Hyunsoo Park; Daniel J. Mindiola","Low-Coordinate and Neutral Nitrido Complexes of Vanadium","Journal of the American Chemical Society","2010","132","","1458","1459","10.1021/ja908303k","","","0.71073","MoKα","","0.0882","0.0501","","","0.1104","0.1262","","","","","","1.009","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4101847","10.48","0.002","18.768","0.004","20.844","0.004","90","","103.704","0.005","90","","3983.1","1.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H55 N4 O V -","- C44 H55 N4 O V -","- C176 H220 N16 O4 V4 -","4","1","","Ba L. Tran; Maren Pink; Xinfeng Gao; Hyunsoo Park; Daniel J. Mindiola","Low-Coordinate and Neutral Nitrido Complexes of Vanadium","Journal of the American Chemical Society","2010","132","","1458","1459","10.1021/ja908303k","","x-ray","0.71073","MoKα","","0.0611","0.046","","","0.1219","0.1346","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101848","15.0353","0.0006","12.8334","0.0005","24.9918","0.001","90","","105.174","0.001","90","","4654.1","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H64 N5 V -","- C52 H64 N5 V -","- C208 H256 N20 V4 -","4","1","","Ba L. Tran; Maren Pink; Xinfeng Gao; Hyunsoo Park; Daniel J. Mindiola","Low-Coordinate and Neutral Nitrido Complexes of Vanadium","Journal of the American Chemical Society","2010","132","","1458","1459","10.1021/ja908303k","","","0.71073","MoKα","","0.0784","0.0455","","","0.1005","0.1137","","","","","","1.021","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4101849","10.5702","0.0015","18.793","0.003","20.862","0.003","90","","103.966","0.003","90","","4021.6","1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H55 N6 V -","- C43 H55 N6 V -","- C172 H220 N24 V4 -","4","1","","Ba L. Tran; Maren Pink; Xinfeng Gao; Hyunsoo Park; Daniel J. Mindiola","Low-Coordinate and Neutral Nitrido Complexes of Vanadium","Journal of the American Chemical Society","2010","132","","1458","1459","10.1021/ja908303k","","","0.71073","MoKα","","0.1034","0.0564","","","0.1347","0.1689","","","","","","1.055","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4101850","11.0075","0.0011","18.0498","0.0019","11.1488","0.0011","90","","103.942","0.007","90","","2149.8","0.4","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H39 F24 N9 O P4 Ru -","- C24 H39 F24 N9 O P4 Ru -","- C48 H78 F48 N18 O2 P8 Ru2 -","2","1","","Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; Madeleine Helliwell; James Raftery; Catherine A. Swanson; Bruce S. Brunschwig; Koen Clays; Edith Franz; Javier Garín; Jesús Orduna; Peter N. Horton; Michael B. Hursthouse","Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores","Journal of the American Chemical Society","2010","132","","1706","1723","10.1021/ja908667p","","","0.71073","MoKα","","0.0656","0.0476","","","0.0936","0.1015","","","","","","1.025","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101851","16.86","0.07","18.6","0.03","14.35","0.05","90","","95","0.3","90","","4483","3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 F24 N8 P4 Ru -","- C32 H38 F24 N8 P4 Ru -","- C128 H152 F96 N32 P16 Ru4 -","4","1","","Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; Madeleine Helliwell; James Raftery; Catherine A. Swanson; Bruce S. Brunschwig; Koen Clays; Edith Franz; Javier Garín; Jesús Orduna; Peter N. Horton; Michael B. Hursthouse","Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores","Journal of the American Chemical Society","2010","132","","1706","1723","10.1021/ja908667p","","","0.71073","MoKα","","0.2326","0.1418","","","0.3328","0.3951","","","","","","1.029","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101852","61.18","0.02","28.994","0.01","30.362","0.01","90","","90","","90","","53858","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Dr B. J. Coe","","- C152.25 H165.88 B4 N11.38 O5.38 Ru -","- C132 H122 B4 N8 O2 Ru -","- C2112 H1952 B64 N128 O32 Ru16 -","16","1","","Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; Madeleine Helliwell; James Raftery; Catherine A. Swanson; Bruce S. Brunschwig; Koen Clays; Edith Franz; Javier Garín; Jesús Orduna; Peter N. Horton; Michael B. Hursthouse","Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores","Journal of the American Chemical Society","2010","132","","1706","1723","10.1021/ja908667p","","","0.71073","MoKα","","0.1476","0.0949","","","0.2268","0.2447","","","","","","0.861","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101853","16.4397","0.0015","7.3508","0.0006","18.6167","0.0016","90","","90","","90","","2249.7","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 I N2 -","- C11 H11 I N2 -","- C88 H88 I8 N16 -","8","1","","Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; Madeleine Helliwell; James Raftery; Catherine A. Swanson; Bruce S. Brunschwig; Koen Clays; Edith Franz; Javier Garín; Jesús Orduna; Peter N. Horton; Michael B. Hursthouse","Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores","Journal of the American Chemical Society","2010","132","","1706","1723","10.1021/ja908667p","","","0.71073","MoKα","","0.0452","0.0355","","","0.0797","0.0838","","","","","","1.12","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101854","11.07","0.0009","19.987","0.0015","12.901","0.001","90","","111.99","0.001","90","","2646.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 I N2 O0.5 -","- C13 H14 I N2 O0.5 -","- C104 H112 I8 N16 O4 -","8","2","","Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; Madeleine Helliwell; James Raftery; Catherine A. Swanson; Bruce S. Brunschwig; Koen Clays; Edith Franz; Javier Garín; Jesús Orduna; Peter N. Horton; Michael B. Hursthouse","Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores","Journal of the American Chemical Society","2010","132","","1706","1723","10.1021/ja908667p","","","0.71073","MoKα","","0.0457","0.0302","","","0.0617","0.0664","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101855","16.0499","0.0016","6.9437","0.0007","16.4241","0.0016","90","","115.326","0.002","90","","1654.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl2 N2 O -","- C18 H18 Cl2 N2 O -","- C72 H72 Cl8 N8 O4 -","4","1","","Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; Madeleine Helliwell; James Raftery; Catherine A. Swanson; Bruce S. Brunschwig; Koen Clays; Edith Franz; Javier Garín; Jesús Orduna; Peter N. Horton; Michael B. Hursthouse","Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores","Journal of the American Chemical Society","2010","132","","1706","1723","10.1021/ja908667p","","","0.71073","MoKα","","0.0614","0.0476","","","0.1372","0.1433","","","","","","1.361","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101856","25.521","0.017","14.223","0.01","15.13","0.01","90","","113.409","0.013","90","","5040","6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H46 F24 N8 P4 Ru -","- C40 H46 F24 N8 P4 Ru -","- C160 H184 F96 N32 P16 Ru4 -","4","1","","Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; Madeleine Helliwell; James Raftery; Catherine A. Swanson; Bruce S. Brunschwig; Koen Clays; Edith Franz; Javier Garín; Jesús Orduna; Peter N. Horton; Michael B. Hursthouse","Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores","Journal of the American Chemical Society","2010","132","","1706","1723","10.1021/ja908667p","","","0.71073","MoKα","","0.1911","0.1104","","","0.2623","0.3121","","","","","","1.04","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101857","8.436","0.0012","17.851","0.003","20.117","0.003","90","","90","","90","","3029.4","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 Co N5 -","- C33 H43 Co N5 -","- C132 H172 Co4 N20 -","4","1","","Amanda C. Bowman; Carsten Milsmann; Crisita Carmen Hojilla Atienza; Emil Lobkovsky; Karl Wieghardt; Paul J. Chirik","Synthesis and Molecular and Electronic Structures of Reduced Bis(imino)pyridine Cobalt Dinitrogen Complexes: Ligand versus Metal Reduction","Journal of the American Chemical Society","2010","132","","1676","1684","10.1021/ja908955t","","","0.71073","MoKα","","0.0606","0.0416","","","0.0742","0.0806","","","","","","1.027","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101858","12.3808","0.0005","7.1865","0.0002","17.5078","0.0008","90","","98.452","0.002","90","","1540.83","0.1","297.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H22 O -","- C19 H22 O -","- C76 H88 O4 -","4","1","","Vanessa M. Marx; D. Jean Burnell","Nazarov Cyclizations of an Allenyl Vinyl Ketone with Interception of the Oxyallyl Cation Intermediate for the Formation of Carbon-Carbon Bonds","Journal of the American Chemical Society","2010","132","","1685","1689","10.1021/ja909073r","","","0.7107","MoKα","","","0.0526","","","","0.0693","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101859","8.044","0.002","15.913","0.005","3.4891","0.001","90","","100.08","0.02","90","","439.7","0.2","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Bi Cd4 O10 -","- B3 Bi Cd4 O10 -","- B6 Bi2 Cd8 O20 -","2","0.5","","Wei-Long Zhang; Wen-Dan Cheng; Hao Zhang; Lei Geng; Chen-Sheng Lin; Zhang-Zhen He","A Strong Second-Harmonic Generation Material Cd4BiO(BO3)3 Originating from 3-Chromophore Asymmetric Structures","Journal of the American Chemical Society","2010","132","","1508","1509","10.1021/ja9091209","","","0.71073","MoKα","","0.0411","0.0383","","","0.0806","0.0829","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101860","16.7809","0.0008","20.8853","0.001","8.7101","0.0004","90","","95.594","0.003","90","","3038.1","0.2","118.1","","118.1","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C52 H34 F24 N4 O16 Ru4 -","- C52 H52 F24 N4 O16 Ru4 -","- C104 H104 F48 N8 O32 Ru8 -","2","0.25","","Hitoshi Miyasaka; Natsuko Motokawa; Satoshi Matsunaga; Masahiro Yamashita; Kunihisa Sugimoto; Tatsuya Mori; Naoki Toyota; Kim R. Dunbar","Control of Charge Transfer in a Series of Ru2II,II/TCNQ Two-Dimensional Networks by Tuning the Electron Affinity of TCNQ Units: A Route to Synergistic Magnetic/Conducting Materials","Journal of the American Chemical Society","2010","132","","1532","1544","10.1021/ja909489s","","","0.7107","MoKα","","","0.0452","","","","0.1523","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101861","20.058","0.002","20.031","0.002","8.5425","0.001","90","","99.986","0.007","90","","3380.2","0.6","193.1","","193.1","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C38 H16 Br2 Cl4 F24 N4 O16 Ru4 -","- C38 H16 Br2 Cl4.04 F24 N4 O16 Ru4 -","- C76 H32 Br4 Cl8.08 F48 N8 O32 Ru8 -","2","0.25","","Hitoshi Miyasaka; Natsuko Motokawa; Satoshi Matsunaga; Masahiro Yamashita; Kunihisa Sugimoto; Tatsuya Mori; Naoki Toyota; Kim R. Dunbar","Control of Charge Transfer in a Series of Ru2II,II/TCNQ Two-Dimensional Networks by Tuning the Electron Affinity of TCNQ Units: A Route to Synergistic Magnetic/Conducting Materials","Journal of the American Chemical Society","2010","132","","1532","1544","10.1021/ja909489s","","","0.71069","MoKα","","","0.1119","","","","0.2893","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101862","17.402","0.01","20.705","0.01","8.722","0.005","90","","95.629","0.008","90","","3127","3","103.1","","103.1","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C47.8 H27.8 Cl2.8 F26 N4 O16 Ru4 -","- C47.8 H16 Cl2.8 F26 N4 O16 Ru4 -","- C95.6 H32 Cl5.6 F52 N8 O32 Ru8 -","2","0.25","","Hitoshi Miyasaka; Natsuko Motokawa; Satoshi Matsunaga; Masahiro Yamashita; Kunihisa Sugimoto; Tatsuya Mori; Naoki Toyota; Kim R. Dunbar","Control of Charge Transfer in a Series of Ru2II,II/TCNQ Two-Dimensional Networks by Tuning the Electron Affinity of TCNQ Units: A Route to Synergistic Magnetic/Conducting Materials","Journal of the American Chemical Society","2010","132","","1532","1544","10.1021/ja909489s","","","0.71075","MoKα","","","0.038","","","","0.088","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101863","17.542","0.014","20.644","0.016","8.788","0.007","90","","96.627","0.013","90","","3161","4","117.1","","117.1","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C52 H30 F28 N4 O16 Ru4 -","- C52 H45 F28 N4 O16 Ru4 -","- C104 H90 F56 N8 O32 Ru8 -","2","0.25","","Hitoshi Miyasaka; Natsuko Motokawa; Satoshi Matsunaga; Masahiro Yamashita; Kunihisa Sugimoto; Tatsuya Mori; Naoki Toyota; Kim R. Dunbar","Control of Charge Transfer in a Series of Ru2II,II/TCNQ Two-Dimensional Networks by Tuning the Electron Affinity of TCNQ Units: A Route to Synergistic Magnetic/Conducting Materials","Journal of the American Chemical Society","2010","132","","1532","1544","10.1021/ja909489s","","","0.7107","MoKα","","","0.0681","","","","0.1286","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101864","16.825","0.003","20.753","0.004","8.5773","0.0015","90","","95.607","0.003","90","","2980.6","0.9","103.1","","103.1","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C52 H34 F24 N4 O16 Rh4 -","- C52 H12 F24 N4 O16 Rh4 -","- C104 H24 F48 N8 O32 Rh8 -","2","0.25","","Hitoshi Miyasaka; Natsuko Motokawa; Satoshi Matsunaga; Masahiro Yamashita; Kunihisa Sugimoto; Tatsuya Mori; Naoki Toyota; Kim R. Dunbar","Control of Charge Transfer in a Series of Ru2II,II/TCNQ Two-Dimensional Networks by Tuning the Electron Affinity of TCNQ Units: A Route to Synergistic Magnetic/Conducting Materials","Journal of the American Chemical Society","2010","132","","1532","1544","10.1021/ja909489s","","","0.71075","MoKα","","","0.0381","","","","0.0945","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101865","17.555","0.007","20.578","0.008","8.505","0.004","90","","95.622","0.007","90","","3058","2","103.1","","103.1","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C50.2 H30.2 Cl1.2 F26 N4 O16 Rh4 -","- C50.2 H16 Cl1.2 F26 N4 O16 Rh4 -","- C100.4 H32 Cl2.4 F52 N8 O32 Rh8 -","2","0.25","","Hitoshi Miyasaka; Natsuko Motokawa; Satoshi Matsunaga; Masahiro Yamashita; Kunihisa Sugimoto; Tatsuya Mori; Naoki Toyota; Kim R. Dunbar","Control of Charge Transfer in a Series of Ru2II,II/TCNQ Two-Dimensional Networks by Tuning the Electron Affinity of TCNQ Units: A Route to Synergistic Magnetic/Conducting Materials","Journal of the American Chemical Society","2010","132","","1532","1544","10.1021/ja909489s","","","0.71075","MoKα","","","0.0691","","","","0.2026","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101866","8.734","0.004","20.41","0.008","17.895","0.008","90","","96.128","0.006","90","","3172","2","93.1","","93.1","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H18 Cl8 F28 N4 O16 Rh4 -","- C40 H18 Cl8 F28 N4 O16 Rh4 -","- C80 H36 Cl16 F56 N8 O32 Rh8 -","2","0.5","","Hitoshi Miyasaka; Natsuko Motokawa; Satoshi Matsunaga; Masahiro Yamashita; Kunihisa Sugimoto; Tatsuya Mori; Naoki Toyota; Kim R. Dunbar","Control of Charge Transfer in a Series of Ru2II,II/TCNQ Two-Dimensional Networks by Tuning the Electron Affinity of TCNQ Units: A Route to Synergistic Magnetic/Conducting Materials","Journal of the American Chemical Society","2010","132","","1532","1544","10.1021/ja909489s","","","0.7107","MoKα","","","0.0557","","","","0.1374","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101867","5.543","0.0001","8.2574","0.0001","10.6426","0.0002","71.438","0.001","75.465","0.001","89.918","0.001","445.363","0.013","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H19 N2 O -","- C24 H20 N2 O -","- C24 H20 N2 O -","1","1","","Jonathan A. Brekan; Troy E. Reynolds; Karl A. Scheidt","Enantioselective Synthesis of Substituted Indanones from Silyloxyallenes","Journal of the American Chemical Society","2010","132","","1472","1473","10.1021/ja909669e","","","0.71073","MoKα","","0.0383","0.0369","","","0.1007","0.102","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101868","9.6045","0.0004","15.7113","0.0008","16.1606","0.0006","74.298","0.004","87.94","0.003","76.826","0.004","2284.97","0.18","350","2","350","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H40 Fe2 N12 O S4 -","- C41 H37 Fe2 N12 O S4 -","- C82 H74 Fe4 N24 O2 S8 -","2","1","","Bao Li; Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","Solvent-Induced Transformation of Single Crystals of a Spin-Crossover (SCO) Compound to Single Crystals with Two Distinct SCO Centers","Journal of the American Chemical Society","2010","132","","1558","1566","10.1021/ja909695f","","","0.71073","MoKα","","0.0629","0.0429","","","0.1173","0.1242","","","","","","1.071","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101869","11.9461","0.0003","11.7266","0.0004","17.3306","0.0005","90","","91.759","0.002","90","","2426.65","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Fe N6 S2 -","- C20 H18 Fe N6 S2 -","- C80 H72 Fe4 N24 S8 -","4","1","","Bao Li; Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","Solvent-Induced Transformation of Single Crystals of a Spin-Crossover (SCO) Compound to Single Crystals with Two Distinct SCO Centers","Journal of the American Chemical Society","2010","132","","1558","1566","10.1021/ja909695f","","","0.71073","MoKα","","0.1004","0.0869","","","0.2467","0.258","","","","","","1.068","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101870","12.1789","0.0003","11.878","0.0003","17.7127","0.0004","90","","93.391","0.002","90","","2557.85","0.11","260","2","260","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Fe N6 S2 -","- C20 H18 Fe N6 S2 -","- C80 H72 Fe4 N24 S8 -","4","1","","Bao Li; Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","Solvent-Induced Transformation of Single Crystals of a Spin-Crossover (SCO) Compound to Single Crystals with Two Distinct SCO Centers","Journal of the American Chemical Society","2010","132","","1558","1566","10.1021/ja909695f","","","0.71073","MoKα","","0.0739","0.0588","","","0.1925","0.2006","","","","","","1.063","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101871","9.3957","0.0004","15.4425","0.0007","15.7179","0.0006","74.117","0.004","87.735","0.003","75.846","0.004","2125.98","0.17","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H40 Fe2 N12 O S4 -","- C41 H37 Fe2 N12 O S4 -","- C82 H74 Fe4 N24 O2 S8 -","2","1","","Bao Li; Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","Solvent-Induced Transformation of Single Crystals of a Spin-Crossover (SCO) Compound to Single Crystals with Two Distinct SCO Centers","Journal of the American Chemical Society","2010","132","","1558","1566","10.1021/ja909695f","","","0.71073","MoKα","","0.0822","0.0393","","","0.0641","0.0694","","","","","","0.842","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101872","9.5965","0.0005","15.7142","0.0008","15.8899","0.0007","73.598","0.004","86.862","0.004","76.098","0.004","2231.1","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H40 Fe2 N12 O S4 -","- C41 H37 Fe2 N12 O S4 -","- C82 H74 Fe4 N24 O2 S8 -","2","1","","Bao Li; Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","Solvent-Induced Transformation of Single Crystals of a Spin-Crossover (SCO) Compound to Single Crystals with Two Distinct SCO Centers","Journal of the American Chemical Society","2010","132","","1558","1566","10.1021/ja909695f","","","0.71073","MoKα","","0.1581","0.0504","","","0.0708","0.0866","","","","","","0.801","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101873","5.9","0.002","11.571","0.005","23.062","0.009","90","","90","","90","","1574.4","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cl3 N O3 -","- C14 H14 Cl3 N O3 -","- C56 H56 Cl12 N4 O12 -","4","1","","Stéphane Beaumont; Elizabeth A. Ilardi; Lucas R. Monroe; Armen Zakarian","Valence Tautomerism in Titanium Enolates: Catalytic Radical Haloalkylation and Application in the Total Synthesis of Neodysidenin","Journal of the American Chemical Society","2010","132","","1482","1483","10.1021/ja910154f","","","0.71073","MoKα","","0.0453","0.0369","","","0.0982","0.103","","","","","","1.18","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101874","5.887","0.004","11.304","0.007","13.23","0.008","90","","98.187","0.009","90","","871.4","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H15 Cl6 N O3 -","- C11 H15 Cl6 N O3 -","- C22 H30 Cl12 N2 O6 -","2","1","","Stéphane Beaumont; Elizabeth A. Ilardi; Lucas R. Monroe; Armen Zakarian","Valence Tautomerism in Titanium Enolates: Catalytic Radical Haloalkylation and Application in the Total Synthesis of Neodysidenin","Journal of the American Chemical Society","2010","132","","1482","1483","10.1021/ja910154f","","","0.71073","MoKα","","0.055","0.0399","","","0.0858","0.092","","","","","","0.932","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101875","10.9585","0.0004","7.9293","0.0003","15.5064","0.0006","90","","107.736","0.0004","90","","1283.36","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H39 N O3 Si -","- C24 H39 N O3 Si -","- C48 H78 N2 O6 Si2 -","2","1","","Tim G. Elford; Dennis G. Hall","Total Synthesis of (+)-Chinensiolide B via Tandem Allylboration/Lactonization","Journal of the American Chemical Society","2010","132","","1488","1489","10.1021/ja9104478","","","0.71073","MoKα","","0.0338","0.0319","","","0.0848","0.0868","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101876","47.7085","0.0002","81.9437","0.0004","10.5045","0.0001","90","","90","","90","","41066.4","0.5","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C29 H32 Cl F12 N6 P2 Ru -","- C29 H32 Cl F12 N6 P2 Ru -","- C1392 H1536 Cl48 F576 N288 P96 Ru48 -","48","3","","Sipke H. Wadman; Remco W. A. Havenith; Martin Lutz; Anthony L. Spek; Gerard P. M. van Klink; Gerard van Koten","Selective para-Halogenation and Dimerization of N,C,N'-Arylruthenium(II) and -(III) 2,2':6',2''-Terpyridine Cations","Journal of the American Chemical Society","2010","132","","1914","1924","10.1021/ja9073276","","","0.71073","MoKα","","0.0422","0.0322","","","0.0676","0.0721","","","","","","1.034","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101877","15.334","0.004","8.573","0.003","24.431","0.007","90","","90","","90","","3211.7","1.7","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","meso-1,1'-(ditertbutylethylenyl)ferrocene","","","- C20 H28 Fe -","- C20 H28 Fe -","- C160 H224 Fe8 -","8","1","","David E. Herbert; Joe B. Gilroy; Anne Staubitz; Mairi F. Haddow; Jeremy N. Harvey; Ian Manners","Strain-Induced Cleavage of Carbon-Carbon Bonds: Bridge Rupture Reactions of Group 8 Dicarba[2]metallocenophanes","Journal of the American Chemical Society","2010","132","","1988","1998","10.1021/ja9087049","","","0.71073","MoKα","","0.0494","0.0334","","","0.1001","0.1426","","","","","","1.34","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101878","31.1903","0.0013","9.7393","0.0004","8.3897","0.0003","90","","97.722","0.002","90","","2525.44","0.17","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","rac-1,1'-ditertbutylethylenylferrocene","","","- C20 H28 Fe -","- C20 H28 Fe -","- C120 H168 Fe6 -","6","1.5","","David E. Herbert; Joe B. Gilroy; Anne Staubitz; Mairi F. Haddow; Jeremy N. Harvey; Ian Manners","Strain-Induced Cleavage of Carbon-Carbon Bonds: Bridge Rupture Reactions of Group 8 Dicarba[2]metallocenophanes","Journal of the American Chemical Society","2010","132","","1988","1998","10.1021/ja9087049","","","0.71073","MoKα","","0.0741","0.0592","","","0.1421","0.1507","","","","","","1.043","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101879","8.0839","0.0006","10.4761","0.0008","8.6654","0.0007","90","","91.849","0.005","90","","733.47","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 Ru -","- C18 H24 Ru -","- C36 H48 Ru2 -","2","1","","David E. Herbert; Joe B. Gilroy; Anne Staubitz; Mairi F. Haddow; Jeremy N. Harvey; Ian Manners","Strain-Induced Cleavage of Carbon-Carbon Bonds: Bridge Rupture Reactions of Group 8 Dicarba[2]metallocenophanes","Journal of the American Chemical Society","2010","132","","1988","1998","10.1021/ja9087049","","","0.71073","MoKα","","0.05","0.0394","","","0.1016","0.1093","","","","","","0.776","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101880","15.377","0.0004","8.678","0.0002","24.7818","0.0006","90","","90","","90","","3306.92","0.14","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Ru -","- C20 H28 Ru -","- C160 H224 Ru8 -","8","1","","David E. Herbert; Joe B. Gilroy; Anne Staubitz; Mairi F. Haddow; Jeremy N. Harvey; Ian Manners","Strain-Induced Cleavage of Carbon-Carbon Bonds: Bridge Rupture Reactions of Group 8 Dicarba[2]metallocenophanes","Journal of the American Chemical Society","2010","132","","1988","1998","10.1021/ja9087049","","","0.71073","MoKα","","0.0308","0.0246","","","0.0658","0.0696","","","","","","1.143","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101881","10.4394","0.0012","8.2881","0.0009","9.7006","0.0011","90","","90","","90","","839.32","0.16","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H28 Ru -","- C20 H28 Ru -","- C40 H56 Ru2 -","2","0.5","","David E. Herbert; Joe B. Gilroy; Anne Staubitz; Mairi F. Haddow; Jeremy N. Harvey; Ian Manners","Strain-Induced Cleavage of Carbon-Carbon Bonds: Bridge Rupture Reactions of Group 8 Dicarba[2]metallocenophanes","Journal of the American Chemical Society","2010","132","","1988","1998","10.1021/ja9087049","","","0.71073","MoKα","","0.022","0.0207","","","0.0465","0.0486","","","","","","1.088","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101882","18.014","0.0002","27.2308","0.0005","19.7247","0.0003","90","","92.588","0.001","90","","9665.8","0.3","293","2","293","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C30 H138 K9 Mo23 N5 O113 S24 -","- C30 H30 K9 Mo23 N5 O113 S24 -","- C60 H60 K18 Mo46 N10 O226 S48 -","2","1","","Sylvain Duval; Sébastien Floquet; Corine Simonnet-Jégat; Jérôme Marrot; Rosa Ngo Biboum; Bineta Keita; Louis Nadjo; Mohamed Haouas; Francis Taulelle; Emmanuel Cadot","Capture of the [Mo~3~S~4~]^4+^ Cluster within a {Mo~18~} Macrocycle Yielding a Supramolecular Assembly Stabilized by a Dynamic H-Bond Network","Journal of the American Chemical Society","2010","132","","2069","2077","10.1021/ja909762p","","","0.71073","MoKα","","0.0633","0.0512","","","0.1405","0.1474","","","","","","1.059","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101883","20.4851","0.0012","20.4851","0.0012","29.203","0.002","90","","90","","90","","12254.7","1.3","293","2","293","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C24 H56 K2 Mo4 N4 Na2 O42 S4 -","- C24 H24 K Mo4 N4 O32 S4 -","- C192 H192 K8 Mo32 N32 O256 S32 -","8","0.5","","Sylvain Duval; Sébastien Floquet; Corine Simonnet-Jégat; Jérôme Marrot; Rosa Ngo Biboum; Bineta Keita; Louis Nadjo; Mohamed Haouas; Francis Taulelle; Emmanuel Cadot","Capture of the [Mo~3~S~4~]^4+^ Cluster within a {Mo~18~} Macrocycle Yielding a Supramolecular Assembly Stabilized by a Dynamic H-Bond Network","Journal of the American Chemical Society","2010","132","","2069","2077","10.1021/ja909762p","","","0.71073","MoKα","","0.12","0.0691","","","0.2074","0.2486","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101884","8.2106","0.0014","6.7252","0.0012","12.488","0.002","90","","96.472","0.003","90","","685.2","0.2","297","2","297","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H12 N4 O3 S -","- C13 H12 N4 O3 S -","- C26 H24 N8 O6 S2 -","2","0.5","","Peihua Xi; Fan Yang; Song Qin; Dongbing Zhao; Jingbo Lan; Ge Gao; Changwei Hu; Jingsong You","Palladium(II)-Catalyzed Oxidative C-H/C-H Cross-Coupling of Heteroarenes","Journal of the American Chemical Society","2010","132","","1822","1824","10.1021/ja909807f","","x-ray","0.71073","MoKα","","0.0529","0.0454","","","0.1332","0.1438","","","","","","1.094","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101885","6.0697","0.0002","11.6015","0.0003","12.9255","0.0005","90","","90.523","0.003","90","","910.15","0.05","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 N2 O S -","- C9 H8 N2 O S -","- C36 H32 N8 O4 S4 -","4","1","","Peihua Xi; Fan Yang; Song Qin; Dongbing Zhao; Jingbo Lan; Ge Gao; Changwei Hu; Jingsong You","Palladium(II)-Catalyzed Oxidative C-H/C-H Cross-Coupling of Heteroarenes","Journal of the American Chemical Society","2010","132","","1822","1824","10.1021/ja909807f","","x-ray","0.71073","MoKα","","0.0542","0.0351","","","0.0913","0.095","","","","","","0.941","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101886","23.644","0.008","8.032","0.003","29.052","0.009","90","","110.535","0.005","90","","5167","3","200","2","200","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 B F3 N5 O6 Ru S -","- C18 H20 B F3 N5 O6 Ru S -","- C144 H160 B8 F24 N40 O48 Ru8 S8 -","8","1","","Brian L. Conley; Travis J. Williams","Thermochemistry and Molecular Structure of a Remarkable Agostic Interaction in a Heterobifunctional Ruthenium-Boron Complex","Journal of the American Chemical Society","2010","132","","1764","1765","10.1021/ja909858a","","","0.71073","MoKα","","0.104","0.0561","","","0.1236","0.1421","","","","","","0.984","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101887","8.9877","0.0008","13.6367","0.0013","17.3641","0.0016","90","","103.424","0.002","90","","2070","0.3","144","2","144","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 B Cl N2 Ru -","- C22 H28 B Cl N2 Ru -","- C88 H112 B4 Cl4 N8 Ru4 -","4","1","","Brian L. Conley; Travis J. Williams","Thermochemistry and Molecular Structure of a Remarkable Agostic Interaction in a Heterobifunctional Ruthenium-Boron Complex","Journal of the American Chemical Society","2010","132","","1764","1765","10.1021/ja909858a","","","0.71073","MoKα","","0.0421","0.0322","","","0.076","0.08","","","","","","1.058","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101888","8.055","0.016","9.457","0.018","15.79","0.03","96.57","0.04","91.22","0.04","95.44","0.03","1189","4","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H23 B F3 N5 O3 Ru S -","- C19 H23 B F3 N5 O3 Ru S -","- C38 H46 B2 F6 N10 O6 Ru2 S2 -","2","1","","Brian L. Conley; Travis J. Williams","Thermochemistry and Molecular Structure of a Remarkable Agostic Interaction in a Heterobifunctional Ruthenium-Boron Complex","Journal of the American Chemical Society","2010","132","","1764","1765","10.1021/ja909858a","","","0.71073","MoKα","","0.2026","0.0921","","","0.1887","0.2468","","","","","","1.059","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101889","25.137","0.017","6.351","0.004","19.808","0.013","90","","116.975","0.008","90","","2818","3","153.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N O -","- C17 H17 N O -","- C136 H136 N8 O8 -","8","1","","Tetsuaki Fujihara; Yuko Katafuchi; Tomohiro Iwai; Jun Terao; Yasushi Tsuji","Palladium-Catalyzed Intermolecular Addition of Formamides to Alkynes","Journal of the American Chemical Society","2010","132","","2094","2098","10.1021/ja910038p","","","0.7107","MoKα","","","0.0659","","","","0.1528","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101890","5.867","0.002","10.838","0.004","14.128","0.006","79.302","0.007","87.32","0.007","88.987","0.008","881.7","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","","Zheng, Huaiji; Zheng, Jiyue; Yu, Binxun; Chen, Qiang; Wang, Xiaolei; He, Yongping; Yang, Zhen; She, Xuegong","Pt-Catalyzed Tandem 1,2-Acyloxy Migration/Intramolecular [3 + 2] Cycloaddition of Enynyl Esters","Journal of the American Chemical Society","2010","132","6","1788","1789","10.1021/ja910346m","","","0.71073","MoKα","","0.1352","0.0723","","","0.1994","0.2361","","","","","","1.045","","","","has coordinates","210879","2020-10-21","18:00:00",""
"4101891","8.2627","0.0004","9.2103","0.0004","11.3983","0.0004","91.863","0.002","101.511","0.002","100.929","0.002","832.34","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C38 H48 O8 -","2","1","","Zheng, Huaiji; Zheng, Jiyue; Yu, Binxun; Chen, Qiang; Wang, Xiaolei; He, Yongping; Yang, Zhen; She, Xuegong","Pt-Catalyzed Tandem 1,2-Acyloxy Migration/Intramolecular [3 + 2] Cycloaddition of Enynyl Esters","Journal of the American Chemical Society","2010","132","6","1788","1789","10.1021/ja910346m","","","0.71073","MoKα","","0.0681","0.0446","","","0.1071","0.1239","","","","","","1.043","","","","has coordinates","210879","2020-10-21","18:00:00",""
"4101892","9.4926","0.0019","11.463","0.003","12.601","0.003","92.641","0.012","102.774","0.011","90.617","0.011","1335.5","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H22 O3 -","- C13 H22 O3 -","- C52 H88 O12 -","4","2","","Zheng, Huaiji; Zheng, Jiyue; Yu, Binxun; Chen, Qiang; Wang, Xiaolei; He, Yongping; Yang, Zhen; She, Xuegong","Pt-Catalyzed Tandem 1,2-Acyloxy Migration/Intramolecular [3 + 2] Cycloaddition of Enynyl Esters","Journal of the American Chemical Society","2010","132","6","1788","1789","10.1021/ja910346m","","","0.71073","MoKα","","0.2156","0.0714","","","0.1407","0.2018","","","","","","0.929","","","","has coordinates","210879","2020-10-21","18:00:00",""
"4101893","12.9463","0.0013","13.1712","0.0014","14.2459","0.0015","102.253","0.008","106.079","0.008","95.609","0.008","2249.1","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16.5 H23 K2 N1.5 O5.75 -","- C16.5 H23 K2 N1.5 O5.75 -","- C66 H92 K8 N6 O23 -","4","2","","Charles L. Perrin; Jonathan S. Lau; Yeong-Joon Kim; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold","Asymmetry of the ""Strongest"" OHO Hydrogen Bond, in the Monoanion of (\±)-α,α'-Di-tert-butylsuccinate","Journal of the American Chemical Society","2010","132","","2099","2100","10.1021/ja9104733","","","1.54178","CuKα","","0.1268","0.0808","","","0.2183","0.2644","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101894","10.3628","0.0005","11.1182","0.0005","13.0439","0.0006","89.47","0.003","88.254","0.003","80.848","0.002","1483.03","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 Al Br0.5 Cl3 P -","- C30 H33 Al Br0.5 Cl3 P -","- C60 H66 Al2 Br Cl6 P2 -","2","1","","Gabriel Ménard; Douglas W. Stephan","Room Temperature Reduction of CO2 to Methanol by Al-Based Frustrated Lewis Pairs and Ammonia Borane","Journal of the American Chemical Society","2010","132","","1796","1797","10.1021/ja9104792","","","0.71073","MoKα","","0.0834","0.0563","","","0.1516","0.1671","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101895","10.5729","0.0004","11.2503","0.0004","13.1735","0.0005","84.716","0.002","85.767","0.002","76.403","0.002","1514.37","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 Al Br3 P -","- C30 H40 Al Br3 P -","- C60 H80 Al2 Br6 P2 -","2","1","","Gabriel Ménard; Douglas W. Stephan","Room Temperature Reduction of CO2 to Methanol by Al-Based Frustrated Lewis Pairs and Ammonia Borane","Journal of the American Chemical Society","2010","132","","1796","1797","10.1021/ja9104792","","","0.71073","MoKα","","0.0786","0.0467","","","0.1198","0.1333","","","","","","1.025","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101896","10.5382","0.001","20.0664","0.0015","31.987","0.003","90","","90","","90","","6764.1","1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H33 Al2 Cl6 O2 P -","- C28 H33 Al2 Cl6 O2 P -","- C224 H264 Al16 Cl48 O16 P8 -","8","1","","Gabriel Ménard; Douglas W. Stephan","Room Temperature Reduction of CO2 to Methanol by Al-Based Frustrated Lewis Pairs and Ammonia Borane","Journal of the American Chemical Society","2010","132","","1796","1797","10.1021/ja9104792","","","0.71073","MoKα","","0.2184","0.1023","","","0.2189","0.2715","","","","","","1.018","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101897","10.7976","0.0006","10.9304","0.0006","16.1191","0.001","100.641","0.003","90.487","0.003","107.466","0.003","1779.34","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 Al2 Br6 O2 P -","- C28 H33 Al2 Br6 O2 P -","- C56 H66 Al4 Br12 O4 P2 -","2","1","","Gabriel Ménard; Douglas W. Stephan","Room Temperature Reduction of CO2 to Methanol by Al-Based Frustrated Lewis Pairs and Ammonia Borane","Journal of the American Chemical Society","2010","132","","1796","1797","10.1021/ja9104792","","","0.71073","MoKα","","0.0951","0.0457","","","0.1161","0.1329","","","","","","1.062","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101898","13.57","0.0007","15.0537","0.0008","15.6353","0.0008","102.707","0.003","93.952","0.003","102.129","0.003","3023.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 Al Br4 P -","- C27 H33 Al Br4 P -","- C108 H132 Al4 Br16 P4 -","4","2","","Gabriel Ménard; Douglas W. Stephan","Room Temperature Reduction of CO2 to Methanol by Al-Based Frustrated Lewis Pairs and Ammonia Borane","Journal of the American Chemical Society","2010","132","","1796","1797","10.1021/ja9104792","","","0.71073","MoKα","","0.0651","0.0428","","","0.0996","0.1101","","","","","","1.016","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101899","9.1227","0.0011","18.873","0.002","20.343","0.002","90","","90","","90","","3502.5","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C160 H136 N8 O32 -","8","1","","Chang Ho Oh; Swastik Karmakar; HyoSeung Park; YoungCheon Ahn; Jung Wook Kim","Domino Process in Silver-Catalyzed Reactions of N-Arylformimidates and Active Methylene Compounds Involving Cycloisomerization and 1,3-Alkenyl Shift","Journal of the American Chemical Society","2010","132","","1792","1793","10.1021/ja9106226","","","0.71073","MoKα","","0.1149","0.0565","","","0.1012","0.1282","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101900","18.7639","0.0003","16.9382","0.0003","21.0542","0.0004","90","","106.241","0.001","90","","6424.6","0.2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Be F6 N6 O17 Re2 S2 -","- C56 H52 Be F6 N6 O17 Re2 S2 -","- C224 H208 Be4 F24 N24 O68 Re8 S8 -","4","1","","Troy E. Knight; James K. McCusker","Orbital-Specific Energy Transfer","Journal of the American Chemical Society","2010","132","","2208","2221","10.1021/ja907303t","","","1.54178","CuKα","","0.0507","0.0478","","","0.1297","0.1319","","","","","","1.053","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101901","10.3213","0.0012","24.532","0.003","12.1608","0.0014","90","","104.027","0.002","90","","2987.3","0.6","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H42 Cu F6 N8 O16 Re2 S2 -","- C52 H42 Cu F6 N8 O16 Re2 S2 -","- C104 H84 Cu2 F12 N16 O32 Re4 S4 -","2","0.5","","Troy E. Knight; James K. McCusker","Orbital-Specific Energy Transfer","Journal of the American Chemical Society","2010","132","","2208","2221","10.1021/ja907303t","","","0.71073","MoKα","","0.0225","0.0189","","","0.0432","0.0443","","","","","","1.005","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101902","13.863","0.002","30.022","0.004","6.2454","0.0009","90","","90","","90","","2599.3","0.6","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C10.5 H16 Cl I N O3 -","- C10.5 H14 Cl I N O3 -","- C84 H112 Cl8 I8 N8 O24 -","8","1","","Xinqiang Fang; Kun Liu; Chaozhong Li","Efficient Regio- and Stereoselective Formation of Azocan-2-ones via 8-EndoCyclization of α-Carbamoyl Radicals","Journal of the American Chemical Society","2010","132","","2274","2283","10.1021/ja9082649","","","0.71073","MoKα","","0.1607","0.0772","","","0.2335","0.2632","","","","","","0.934","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101903","11.536","0.003","6.2833","0.0014","16.804","0.004","90","","104.543","0.004","90","","1179","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 I N O3 -","- C10 H14 I N O3 -","- C40 H56 I4 N4 O12 -","4","1","","Xinqiang Fang; Kun Liu; Chaozhong Li","Efficient Regio- and Stereoselective Formation of Azocan-2-ones via 8-EndoCyclization of α-Carbamoyl Radicals","Journal of the American Chemical Society","2010","132","","2274","2283","10.1021/ja9082649","","","0.71073","MoKα","","0.0838","0.0551","","","0.1276","0.1396","","","","","","0.878","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101904","6.84","0.008","7.013","0.008","13.178","0.015","79.04","0.02","89.21","0.02","73.583","0.019","594.8","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 I N O3 -","- C10 H14 I N O3 -","- C20 H28 I2 N2 O6 -","2","1","","Xinqiang Fang; Kun Liu; Chaozhong Li","Efficient Regio- and Stereoselective Formation of Azocan-2-ones via 8-EndoCyclization of α-Carbamoyl Radicals","Journal of the American Chemical Society","2010","132","","2274","2283","10.1021/ja9082649","","","0.71073","MoKα","","0.0983","0.0641","","","0.1408","0.156","","","","","","0.894","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101905","7.9889","0.001","8.9128","0.0012","22.255","0.003","90","","90","","90","","1584.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 I N O3 -","- C15 H18 I N O3 -","- C60 H72 I4 N4 O12 -","4","1","","Xinqiang Fang; Kun Liu; Chaozhong Li","Efficient Regio- and Stereoselective Formation of Azocan-2-ones via 8-EndoCyclization of α-Carbamoyl Radicals","Journal of the American Chemical Society","2010","132","","2274","2283","10.1021/ja9082649","","","0.71073","MoKα","","0.0705","0.0578","","","0.1488","0.1574","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101906","19.0493","0.0007","11.8023","0.0004","10.8159","0.0004","90","","90","","90","","2431.69","0.15","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H15 N O4 S -","- C12 H15 N O4 S -","- C96 H120 N8 O32 S8 -","8","2","","Armin H. Stoll; Simon B. Blakey","Rhodium Catalyzed Allene Amination: Diastereoselective Synthesis of Aminocyclopropanes via a 2-Amidoallylcation Intermediate","Journal of the American Chemical Society","2010","132","","2108","2109","10.1021/ja908538t","","","1.54178","CuKα","","0.0224","0.022","","","0.056","0.0563","","","","","","1.04","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101907","12.6837","0.0003","8.7119","0.0003","13.9765","0.0004","90","","110.965","0.001","90","","1442.15","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 N O5 S -","- C11 H19 N O5 S -","- C44 H76 N4 O20 S4 -","4","1","","Armin H. Stoll; Simon B. Blakey","Rhodium Catalyzed Allene Amination: Diastereoselective Synthesis of Aminocyclopropanes via a 2-Amidoallylcation Intermediate","Journal of the American Chemical Society","2010","132","","2108","2109","10.1021/ja908538t","","","1.54178","CuKα","","0.0692","0.065","","","0.1919","0.1965","","","","","","1.009","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101908","6.9683","0.0013","21.374","0.004","12.566","0.003","90","","91.091","0.001","90","","1871.2","0.7","172","2","172","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O5 S -","- C19 H22 N2 O5 S -","- C76 H88 N8 O20 S4 -","4","1","","Armin H. Stoll; Simon B. Blakey","Rhodium Catalyzed Allene Amination: Diastereoselective Synthesis of Aminocyclopropanes via a 2-Amidoallylcation Intermediate","Journal of the American Chemical Society","2010","132","","2108","2109","10.1021/ja908538t","","","0.71073","MoKα","","0.0748","0.0471","","","0.1119","0.1252","","","","","","1.081","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101909","8.5714","0.0008","8.9832","0.0009","9.6979","0.001","90","","114.317","0.007","90","","680.48","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C26 H34 N2 O8 S2 -","2","1","","Armin H. Stoll; Simon B. Blakey","Rhodium Catalyzed Allene Amination: Diastereoselective Synthesis of Aminocyclopropanes via a 2-Amidoallylcation Intermediate","Journal of the American Chemical Society","2010","132","","2108","2109","10.1021/ja908538t","","","1.54178","CuKα","","0.0729","0.0464","","","0.1129","0.1457","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101910","9.7851","0.0003","9.8986","0.0003","10.742","0.0003","73.79","0.0015","71.6838","0.0014","79.3001","0.0013","942.99","0.05","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H24 Fe5 N4 O40 P8 -","- C10 H24 Fe5 N4 O40 P8 -","- C10 H24 Fe5 N4 O40 P8 -","1","0.5","","Fiona R. Kizewski; Paul Boyle; Dean Hesterberg; James D. Martin","Mixed Anion (Phosphate/Oxalate) Bonding to Iron(III) Materials","Journal of the American Chemical Society","2010","132","","2301","2308","10.1021/ja908807b","","","0.71073","MolybdenumKα","","0.044","0.037","","0.051","","0.051","","","","","","1.48","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4101911","17.982","0.005","16.3","0.005","10.747","0.002","90","","116.82","0.03","90","","2811.2","1.5","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C12 H8 O3 -","- C12 H8 O3 -","- C144 H96 O36 -","12","3","","Ori Gidron; Yael Diskin-Posner; Michael Bendikov","α-Oligofurans","Journal of the American Chemical Society","2010","132","","2148","2150","10.1021/ja9093346","","","0.71073","MoKα","","0.0529","0.0403","","","0.1045","0.1137","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101912","19.4403","0.0016","5.2922","0.0004","8.9457","0.0008","90","","99.719","0.005","90","","907.14","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 O6 -","- C24 H14 O6 -","- C48 H28 O12 -","2","0.5","","Ori Gidron; Yael Diskin-Posner; Michael Bendikov","α-Oligofurans","Journal of the American Chemical Society","2010","132","","2148","2150","10.1021/ja9093346","","","0.71073","MoKα","","0.1807","0.0501","","","0.0949","0.1337","","","","","","0.925","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101913","11.2338","0.0017","5.3584","0.0007","10.9863","0.0016","90","","114.828","0.005","90","","600.2","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O4 -","- C16 H10 O4 -","- C32 H20 O8 -","2","0.5","","Ori Gidron; Yael Diskin-Posner; Michael Bendikov","α-Oligofurans","Journal of the American Chemical Society","2010","132","","2148","2150","10.1021/ja9093346","","","0.71073","MoKα","","0.0837","0.0428","","","0.0974","0.1167","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101914","14.5159","0.0002","6.9687","0.0001","17.3259","0.0002","90","","90","","90","","1752.64","0.04","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H21 B F2 O3 -","- C20 H21 B F2 O3 -","- C80 H84 B4 F8 O12 -","4","0.5","","Guoqing Zhang; Jiwei Lu; Michal Sabat; Cassandra L. Fraser","Polymorphism and Reversible Mechanochromic Luminescence for Solid-State Difluoroboron Avobenzone","Journal of the American Chemical Society","2010","132","","2160","2162","10.1021/ja9097719","","","0.71073","MoKα","","0.0606","0.054","","","0.1795","0.1879","","","","","","1.017","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101915","24.448","0.003","7.0594","0.0008","10.29","0.001","90","","94.303","0.004","90","","1770.9","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 B F2 O3 -","- C20 H21 B F2 O3 -","- C80 H84 B4 F8 O12 -","4","1","","Guoqing Zhang; Jiwei Lu; Michal Sabat; Cassandra L. Fraser","Polymorphism and Reversible Mechanochromic Luminescence for Solid-State Difluoroboron Avobenzone","Journal of the American Chemical Society","2010","132","","2160","2162","10.1021/ja9097719","","","0.71073","MoKα","","0.1939","0.0956","","","0.2312","0.2719","","","","","","1.295","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101916","28.464","0.003","14.0417","0.0014","9.3917","0.0009","90","","90","","90","","3753.7","0.7","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tris(N,N-dimethylaminodiboranato)erbium(III)","","- C12 H72 B12 Er2 N6 -","- C12 H72 B12 Er2 N6 -","- C48 H288 B48 Er8 N24 -","4","1","","Scott R. Daly; Do Young Kim; Yu Yang; John R. Abelson; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates: Highly Volatile Precursors for the Deposition of Lanthanide-Containing Thin Films","Journal of the American Chemical Society","2010","132","","2106","2107","10.1021/ja9098005","","","0.71073","MoKα","","0.1403","0.0476","","","0.0612","0.0762","","","","","","0.712","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101917","12.3657","0.0005","10.8176","0.0005","14.6115","0.0006","90","","96.022","0.002","90","","1943.75","0.14","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H36 B6 N3 Pr -","- C6 H36 B6 N3 Pr -","- C24 H144 B24 N12 Pr4 -","4","1","","Scott R. Daly; Do Young Kim; Yu Yang; John R. Abelson; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates: Highly Volatile Precursors for the Deposition of Lanthanide-Containing Thin Films","Journal of the American Chemical Society","2010","132","","2106","2107","10.1021/ja9098005","","","0.71073","MoKα","","0.0206","0.017","","","0.0401","0.0421","","","","","","1.049","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101918","15.8615","0.0006","10.1549","0.0004","11.3788","0.0004","90","","96.744","0.001","90","","1820.12","0.12","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H36 B6 N3 Sm -","- C6 H36 B6 N3 Sm -","- C24 H144 B24 N12 Sm4 -","4","1","","Scott R. Daly; Do Young Kim; Yu Yang; John R. Abelson; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates: Highly Volatile Precursors for the Deposition of Lanthanide-Containing Thin Films","Journal of the American Chemical Society","2010","132","","2106","2107","10.1021/ja9098005","","","0.71073","MoKα","","0.0321","0.0314","","","0.0843","0.0849","","","","","","1.15","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101919","3.8333","0.0011","3.8333","0.0011","12.554","0.004","90","","90","","90","","184.47","0.1","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- Cu0.21 Ga0.05 La0.198 Ni0.74 O4.21 Pr1.802 -","- Cu0.21 Ga0.05 La0.198 Ni0.74 O4.21 Pr1.802 -","- Cu0.42 Ga0.1 La0.396 Ni1.48 O8.42 Pr3.604 -","2","0.0625","","Masatomo Yashima; Nuansaeng Sirikanda; Tatsumi Ishihara","Crystal Structure, Diffusion Path, and Oxygen Permeability of a Pr2NiO4- Based Mixed Conductor (Pr0.9La0.1)2(Ni0.74Cu0.21Ga0.05)O4+δ","Journal of the American Chemical Society","2010","132","","2385","2392","10.1021/ja909820h","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101920","3.8245","0.002","3.8245","0.002","12.5592","0.0064","90","","90","","90","","183.7","0.16","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- Cu0.15 Ga0.05 La0.198 Ni0.8 O4.232 Pr1.802 -","- Cu0.15 Ga0.05 La0.198 Ni0.8 O4.232 Pr1.802 -","- Cu0.3 Ga0.1 La0.396 Ni1.6 O8.464 Pr3.604 -","2","0.0625","","Masatomo Yashima; Nuansaeng Sirikanda; Tatsumi Ishihara","Crystal Structure, Diffusion Path, and Oxygen Permeability of a Pr2NiO4- Based Mixed Conductor (Pr0.9La0.1)2(Ni0.74Cu0.21Ga0.05)O4+δ","Journal of the American Chemical Society","2010","132","","2385","2392","10.1021/ja909820h","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101921","3.836","0.002","3.836","0.002","12.611","0.0066","90","","90","","90","","185.57","0.17","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- Cu0.22 Ga0.05 La Ni0.73 O4.208 Pr -","- Cu0.22 Ga0.05 La2 Ni0.73 O4.208 Pr2 -","- Cu0.44 Ga0.1 La4 Ni1.46 O8.416 Pr4 -","2","0.0625","","Masatomo Yashima; Nuansaeng Sirikanda; Tatsumi Ishihara","Crystal Structure, Diffusion Path, and Oxygen Permeability of a Pr2NiO4- Based Mixed Conductor (Pr0.9La0.1)2(Ni0.74Cu0.21Ga0.05)O4+δ","Journal of the American Chemical Society","2010","132","","2385","2392","10.1021/ja909820h","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101922","3.8557","0.0023","3.8557","0.0023","12.6765","0.0075","90","","90","","90","","188.45","0.19","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- Cu0.23 Ga0.05 La0.198 Ni0.72 O4.176 Pr1.802 -","- Cu0.23 Ga0.05 La0.198 Ni0.72 O4.176 Pr1.802 -","- Cu0.46 Ga0.1 La0.396 Ni1.44 O8.352 Pr3.604 -","2","0.0625","","Masatomo Yashima; Nuansaeng Sirikanda; Tatsumi Ishihara","Crystal Structure, Diffusion Path, and Oxygen Permeability of a Pr2NiO4- Based Mixed Conductor (Pr0.9La0.1)2(Ni0.74Cu0.21Ga0.05)O4+δ","Journal of the American Chemical Society","2010","132","","2385","2392","10.1021/ja909820h","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101923","3.8746","0.0026","3.8746","0.0026","12.7384","0.0087","90","","90","","90","","191.2","0.2","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- Cu0.21 Ga0.05 La0.198 Ni0.74 O4.152 Pr1.802 -","- Cu0.21 Ga0.05 La0.198 Ni0.74 O4.152 Pr1.802 -","- Cu0.42 Ga0.1 La0.396 Ni1.48 O8.304 Pr3.604 -","2","0.0625","","Masatomo Yashima; Nuansaeng Sirikanda; Tatsumi Ishihara","Crystal Structure, Diffusion Path, and Oxygen Permeability of a Pr2NiO4- Based Mixed Conductor (Pr0.9La0.1)2(Ni0.74Cu0.21Ga0.05)O4+δ","Journal of the American Chemical Society","2010","132","","2385","2392","10.1021/ja909820h","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101924","39.112","0.003","18.9019","0.0012","27.3436","0.0018","90","","114.308","0.001","90","","18423","2","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H16 Cu2 F40 N8 O2 -","- C88 H16 Cu2 F40 N8 O2 -","- C704 H128 Cu16 F320 N64 O16 -","8","1","","Shohei Saito; Ko Furukawa; Atsuhiro Osuka","Fully π-Conjugated Helices from Oxidative Cleavage of meso-Aryl-Substituted Expanded Porphyrins","Journal of the American Chemical Society","2010","132","","2128","2129","10.1021/ja909929s","","","0.71073","MoKα","","0.0779","0.0555","","","0.1429","0.1528","","","","","","0.972","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101925","14.78","0.005","15.482","0.005","20.108","0.005","97.239","0.005","95.604","0.005","117.085","0.005","4001","2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H20 Cl3 Cu2 F35 N7 O2 -","- C80 H20 Cl3 Cu2 F35 N7 O2 -","- C160 H40 Cl6 Cu4 F70 N14 O4 -","2","1","","Shohei Saito; Ko Furukawa; Atsuhiro Osuka","Fully π-Conjugated Helices from Oxidative Cleavage of meso-Aryl-Substituted Expanded Porphyrins","Journal of the American Chemical Society","2010","132","","2128","2129","10.1021/ja909929s","","","0.71069","MoKα","","0.1267","0.0856","","","0.2262","0.2429","","","","","","1.087","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101926","7.4212","0.0002","9.9724","0.0003","23.8171","0.0006","90","","90","","90","","1762.64","0.08","298.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Fe O P -","- C20 H23 Fe O P -","- C80 H92 Fe4 O4 P4 -","4","1","","Masamichi Ogasawara; Susumu Watanabe; Kiyohiko Nakajima; Tamotsu Takahashi","Enantioselective Synthesis of Planar-Chiral Phosphaferrocenes by Molybdenum-Catalyzed Asymmetric Interannular Ring-Closing Metathesis","Journal of the American Chemical Society","2010","132","","2136","2137","10.1021/ja910348z","","","0.71075","MoKα","","","0.0529","","","","0.0503","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101927","10.342","0.0008","13.7425","0.0011","15.7297","0.0013","83.491","0.001","81.063","0.001","68.663","0.001","2053.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H63 N4 Nb O3 -","- C42 H63 N4 Nb O3 -","- C84 H126 N8 Nb2 O6 -","2","1","","Jared S. Silvia; Christopher C. Cummins","Ligand-Based Reduction of CO2 to CO Mediated by an Anionic Niobium Nitride Complex","Journal of the American Chemical Society","2010","132","","2169","2171","10.1021/ja910445r","","","0.71073","MoKα","","0.0515","0.037","","","0.0793","0.0861","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101928","15.8479","0.0017","19.368","0.002","20.954","0.002","90","","107.012","0.002","90","","6150.2","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H94 N4 Na Nb O10 -","- C60 H94 N4 Na Nb O10 -","- C240 H376 N16 Na4 Nb4 O40 -","4","1","","Jared S. Silvia; Christopher C. Cummins","Ligand-Based Reduction of CO2 to CO Mediated by an Anionic Niobium Nitride Complex","Journal of the American Chemical Society","2010","132","","2169","2171","10.1021/ja910445r","","","0.71073","MoKα","","0.0916","0.0429","","","0.0865","0.1058","","","","","","1.002","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101929","19.4174","0.0015","12.2901","0.001","16.7769","0.0013","90","","96.863","0.002","90","","3975","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H61 N4 Nb O3.5 -","- C41 H61 N4 Nb O3.5 -","- C164 H244 N16 Nb4 O14 -","4","1","","Jared S. Silvia; Christopher C. Cummins","Ligand-Based Reduction of CO2 to CO Mediated by an Anionic Niobium Nitride Complex","Journal of the American Chemical Society","2010","132","","2169","2171","10.1021/ja910445r","","","0.71073","MoKα","","0.0696","0.0424","","","0.0907","0.1037","","","","","","1.022","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101930","24.8859","0.0014","24.8859","0.0014","15.1743","0.0017","90","","90","","90","","9397.6","1.3","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C37.5 H41.5 N4.5 O12.5 Zn3 -","- C37.5 H38 N4.5 O12.5 Zn3 -","- C300 H304 N36 O100 Zn24 -","8","1","","Ming-Hua Zeng; Qiang-Xin Wang; Yan-Xi Tan; Sheng Hu; Hai-Xia Zhao; La-Sheng Long; Mohamedally Kurmoo","Rigid Pillars and Double Walls in a Porous Metal-Organic Framework: Single-Crystal to Single-Crystal, Controlled Uptake and Release of Iodine and Electrical Conductivity","Journal of the American Chemical Society","2010","132","","2561","2563","10.1021/ja908293n","","","0.71073","MoKα","","0.0886","0.0468","","","0.1126","0.1437","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101931","17.6776","0.001","17.6776","0.001","15.133","0.0018","90","","90","","90","","4729","0.7","173","2","173","2","","","","","","","","5","P -4 c 2","P -4 -2c","116","","","","- C30 H24 N2 O10 Zn3 -","- C30 H24 N2 O10 Zn3 -","- C120 H96 N8 O40 Zn12 -","4","0.5","","Ming-Hua Zeng; Qiang-Xin Wang; Yan-Xi Tan; Sheng Hu; Hai-Xia Zhao; La-Sheng Long; Mohamedally Kurmoo","Rigid Pillars and Double Walls in a Porous Metal-Organic Framework: Single-Crystal to Single-Crystal, Controlled Uptake and Release of Iodine and Electrical Conductivity","Journal of the American Chemical Society","2010","132","","2561","2563","10.1021/ja908293n","","","0.71073","MoKα","","0.0499","0.0422","","","0.1363","0.1455","","","","","","1.125","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101932","9.6137","0.0019","9.816","0.002","12.382","0.003","72.737","0.004","67.724","0.003","70.553","0.004","999.9","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Cl2 O4 S -","- C21 H18 Cl2 O4 S -","- C42 H36 Cl4 O8 S2 -","2","1","","Jarrod W. Johnson; Michael Gretes; Valerie J. Goodfellow; Laura Marrone; Miriam L. Heynen; Natalie C. J. Strynadka; Gary I. Dmitrienko","Cyclobutanone Analogues of β-Lactams Revisited: Insights into Conformational Requirements for Inhibition of Serine- and Metallo-β-Lactamases","Journal of the American Chemical Society","2010","132","","2558","2560","10.1021/ja9086374","","","0.71073","MoKα","","0.0393","0.0361","","","0.0881","0.09","","","","","","1.243","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101933","7.6143","0.0004","7.8046","0.0004","9.7974","0.0005","81.357","0.001","86.361","0.001","72.665","0.001","549.36","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 Cl2 O4 S -","- C8 H8 Cl2 O4 S -","- C16 H16 Cl4 O8 S2 -","2","1","","Jarrod W. Johnson; Michael Gretes; Valerie J. Goodfellow; Laura Marrone; Miriam L. Heynen; Natalie C. J. Strynadka; Gary I. Dmitrienko","Cyclobutanone Analogues of β-Lactams Revisited: Insights into Conformational Requirements for Inhibition of Serine- and Metallo-β-Lactamases","Journal of the American Chemical Society","2010","132","","2558","2560","10.1021/ja9086374","","","0.71073","MoKα","","0.0472","0.0408","","","0.094","0.0982","","","","","","1.181","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101934","12.0074","0.0017","9.2141","0.0013","10.8132","0.0016","90","","112.413","0.002","90","","1106","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cl2 O4 S -","- C8 H8 Cl2 O4 S -","- C32 H32 Cl8 O16 S4 -","4","1","","Jarrod W. Johnson; Michael Gretes; Valerie J. Goodfellow; Laura Marrone; Miriam L. Heynen; Natalie C. J. Strynadka; Gary I. Dmitrienko","Cyclobutanone Analogues of β-Lactams Revisited: Insights into Conformational Requirements for Inhibition of Serine- and Metallo-β-Lactamases","Journal of the American Chemical Society","2010","132","","2558","2560","10.1021/ja9086374","","","0.71073","MoKα","","0.0621","0.0414","","","0.0736","0.0819","","","","","","1.165","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101935","7.464","0.003","10.568","0.004","11.51","0.004","90","","101.187","0.005","90","","890.7","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 Cl2 O3 S -","- C7 H4 Cl2 O3 S -","- C28 H16 Cl8 O12 S4 -","4","1","","Jarrod W. Johnson; Michael Gretes; Valerie J. Goodfellow; Laura Marrone; Miriam L. Heynen; Natalie C. J. Strynadka; Gary I. Dmitrienko","Cyclobutanone Analogues of β-Lactams Revisited: Insights into Conformational Requirements for Inhibition of Serine- and Metallo-β-Lactamases","Journal of the American Chemical Society","2010","132","","2558","2560","10.1021/ja9086374","","","0.71073","MoKα","","0.0352","0.0316","","","0.0982","0.1012","","","","","","1.319","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101936","10.0564","0.0004","9.5585","0.0004","17.2269","0.0007","90","","98.8441","0.0018","90","","1636.23","0.12","15","2","15","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C96 H64 B2 N4 O4 -","2","0.5","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0671","0.0482","","","0.1319","0.1493","","","","","","1.071","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101937","10.0768","0.0004","9.5915","0.0004","17.2589","0.0006","90","","98.9481","0.0004","90","","1647.8","0.11","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C96 H64 B2 N4 O4 -","2","0.5","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0557","0.0465","","","0.1304","0.1385","","","","","","1.064","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101938","10.085","0.0003","9.592","0.0003","17.2635","0.0005","90","","98.9476","0.0004","90","","1649.67","0.09","110","2","110","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C96 H64 B2 N4 O4 -","2","0.5","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0563","0.0468","","","0.1311","0.1392","","","","","","1.066","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101939","10.0893","0.0004","19.1848","0.0007","17.2652","0.0006","90","","98.9288","0.0006","90","","3301.4","0.2","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C192 H128 B4 N8 O8 -","4","1","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.1023","0.0794","","","0.2356","0.2682","","","","","","1.082","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101940","10.0928","0.0004","19.1906","0.0007","17.2656","0.0006","90","","98.9185","0.0006","90","","3303.7","0.2","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C192 H128 B4 N8 O8 -","4","1","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0908","0.0688","","","0.2053","0.2319","","","","","","1.069","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101941","10.0971","0.0003","19.2119","0.0006","17.2693","0.0006","90","","98.9174","0.0005","90","","3309.48","0.18","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C192 H128 B4 N8 O8 -","4","1","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0822","0.0606","","","0.1788","0.2007","","","","","","1.059","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101942","10.0955","0.0003","19.2247","0.0006","17.2688","0.0006","90","","98.9312","0.0005","90","","3310.94","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C192 H128 B4 N8 O8 -","4","1","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0763","0.0596","","","0.1705","0.1911","","","","","","1.037","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101943","10.0904","0.0003","19.262","0.0006","17.2721","0.0005","90","","98.9678","0.0005","90","","3315.99","0.17","165","2","165","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C192 H128 B4 N8 O8 -","4","1","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0871","0.0595","","","0.1745","0.2013","","","","","","1.05","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101944","10.0865","0.0003","9.6443","0.0003","17.2734","0.0005","90","","98.9999","0.0005","90","","1659.62","0.09","175","2","175","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C96 H64 B2 N4 O4 -","2","0.5","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.057","0.0457","","","0.132","0.1418","","","","","","1.086","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101945","10.0856","0.0003","9.6576","0.0003","17.2759","0.0005","90","","99.0203","0.0004","90","","1661.91","0.09","185","2","185","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C96 H64 B2 N4 O4 -","2","0.5","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0566","0.0452","","","0.128","0.1374","","","","","","1.086","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101946","10.0785","0.0004","9.6735","0.0004","17.2616","0.0007","90","","99.0046","0.0007","90","","1662.17","0.12","200","2","200","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C96 H64 B2 N4 O4 -","2","0.5","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0613","0.0466","","","0.1291","0.1397","","","","","","1.087","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101947","10.0913","0.0005","9.7249","0.0005","17.2789","0.0008","90","","99.1054","0.0008","90","","1674.33","0.14","250","2","250","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C96 H64 B2 N4 O4 -","2","0.5","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0602","0.0454","","","0.1293","0.1411","","","","","","1.089","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101948","10.0982","0.001","9.7433","0.001","17.2806","0.0017","90","","99.1317","0.0016","90","","1678.7","0.3","270","2","270","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C96 H64 B2 N4 O4 -","2","0.5","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0605","0.0449","","","0.1271","0.1401","","","","","","1.065","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101949","10.096","0.002","9.766","0.002","17.292","0.004","90","","99.234","0.003","90","","1682.9","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C96 H64 B2 N4 O4 -","2","0.5","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0591","0.0461","","","0.135","0.1481","","","","","","1.073","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101950","26.407","0.004","18.084","0.003","24.867","0.004","90","","113.731","0.008","90","","10871","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72.6 H53.2 B2 Cl1.2 N2 O2 -","- C72.6 H53.2 B2 Cl1.2 N2 O2 -","- C580.8 H425.6 B16 Cl9.6 N16 O16 -","8","1","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.071","0.0547","","","0.1492","0.1631","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101951","9.534","0.0009","11.8513","0.0012","41.303","0.004","90","","93.213","0.002","90","","4659.5","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H56 O4 Zr -","- C52 H56 O4 Zr -","- C208 H224 O16 Zr4 -","4","1","","Yuetao Zhang; Yalan Ning; Lucia Caporaso; Luigi Cavallo; Eugene Y.-X. Chen","Catalyst-Site-Controlled Coordination Polymerization of Polar Vinyl Monomers to Highly Syndiotactic Polymers","Journal of the American Chemical Society","2010","132","","2695","2709","10.1021/ja908818y","","","0.71073","MoKα","","0.1076","0.0555","","","0.1279","0.1517","","","","","","0.986","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101952","10.831","0.0004","12.479","0.0004","14.1278","0.0005","90.664","0.002","111.403","0.002","113.539","0.002","1601.97","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 O4 Si Zr -","- C34 H44 O4 Si Zr -","- C68 H88 O8 Si2 Zr2 -","2","1","","Yuetao Zhang; Yalan Ning; Lucia Caporaso; Luigi Cavallo; Eugene Y.-X. Chen","Catalyst-Site-Controlled Coordination Polymerization of Polar Vinyl Monomers to Highly Syndiotactic Polymers","Journal of the American Chemical Society","2010","132","","2695","2709","10.1021/ja908818y","","","0.71073","MoKα","","0.0383","0.0299","","","0.0737","0.078","","","","","","1.03","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101953","21.9236","","21.9236","","10.0361","","90","","90","","120","","4177.53","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C10 H14 O -","- C10 H14 O -","- C180 H252 O18 -","18","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101954","20.0129","","20.0129","","11.9485","","90","","90","","120","","4144.42","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C10 H14 O -","- C10 H14 O -","- C180 H252 O18 -","18","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101955","14.6614","","14.6614","","22.7128","","90","","90","","120","","4228.17","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C10 H14 O -","- C10 H14 O -","- C180 H252 O18 -","18","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101956","21.1499","","21.1499","","10.9707","","90","","90","","120","","4249.93","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C10 H14 O -","- C10 H14 O -","- C180 H252 O18 -","18","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101957","8.3762","","5.1455","","21.9095","","90","","109.281","","90","","891.327","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101958","23.4015","","23.4015","","9.2166","","90","","90","","120","","4371.08","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C10 H14 O -","- C10 H14 O -","- C180 H252 O18 -","18","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101959","17.1461","","5.0284","","11.0202","","90","","109.469","","90","","895.808","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101960","4.5362","","12.2286","","16.2915","","90","","90","","90","","903.712","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101961","22.7159","","22.7159","","9.2069","","90","","90","","120","","4114.38","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C10 H14 O -","- C10 H14 O -","- C180 H252 O18 -","18","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101962","23.2015","","8.6198","","4.5444","","90","","90","","90","","908.845","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101963","12.1203","","16.1584","","4.6365","","90","","90","","90","","908.034","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101964","17.8291","","4.5894","","24.0942","","90","","69.6837","","90","","1848.86","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 O -","- C10 H14 O -","- C80 H112 O8 -","8","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101965","17.1957","","4.6403","","12.03","","90","","109.939","","90","","902.369","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101966","22.8234","","4.7105","","17.6462","","90","","73.2208","","90","","1816.36","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C10 H14 O -","- C10 H14 O -","- C80 H112 O8 -","8","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101967","26.4489","","4.6486","","16.7492","","90","","116.586","","90","","1841.57","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 O -","- C10 H14 O -","- C80 H112 O8 -","8","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101968","19.9525","","4.5351","","11.0565","","90","","68.2256","","90","","929.083","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101969","24.2387","","4.6525","","18.1098","","90","","115.793","","90","","1838.79","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C10 H14 O -","- C10 H14 O -","- C80 H112 O8 -","8","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101970","24.4512","","4.6442","","16.7109","","90","","105.874","","90","","1825.26","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 O -","- C10 H14 O -","- C80 H112 O8 -","8","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101971","12.5972","","4.7007","","16.3407","","90","","109.644","","90","","911.31","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101972","26.465","0.005","15.938","0.003","17.596","0.003","90","","100.824","0.002","90","","7290","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H47 Cl6 N2 P Ru -","- C30.5 H47 Cl6 N2 P Ru -","- C244 H376 Cl48 N16 P8 Ru8 -","8","1","","Erin M. Leitao; Edwin F. van der Eide; Patricio E. Romero; Warren, E. Piers; Robert McDonald","Kinetic and Thermodynamic Analysis of Processes Relevant to Initiation of Olefin Metathesis by Ruthenium Phosphonium Alkylidene Catalysts","Journal of the American Chemical Society","2010","132","","2784","2794","10.1021/ja910112m","","","0.71073","MoKα","","0.051","0.0429","","","0.1155","0.1215","","","","","","1.071","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101973","14.2155","0.0018","21.905","0.003","16.828","0.002","90","","105.471","0.002","90","","5050.2","1.1","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H55 Cl12 N2 P Ru -","- C36 H53 Cl6 N2 P Ru -","- C144 H212 Cl24 N8 P4 Ru4 -","4","1","","Erin M. Leitao; Edwin F. van der Eide; Patricio E. Romero; Warren, E. Piers; Robert McDonald","Kinetic and Thermodynamic Analysis of Processes Relevant to Initiation of Olefin Metathesis by Ruthenium Phosphonium Alkylidene Catalysts","Journal of the American Chemical Society","2010","132","","2784","2794","10.1021/ja910112m","","","0.71073","MoKα","","0.0669","0.0493","","","0.131","0.1397","","","","","","1.036","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101974","10.4582","0.0007","11.9788","0.0008","12.9774","0.0008","91.148","0.001","97.368","0.001","111.967","0.001","1491.19","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H31 Cl2 Mn N7 O8 -","- C23 H31 Cl2 Mn N7 O8 -","- C46 H62 Cl4 Mn2 N14 O16 -","2","1","","Robert A. Geiger; Swarup Chattopadhyay; Victor W. Day; Timothy A. Jackson","A Series of Peroxomanganese(III) Complexes Supported by Tetradentate Aminopyridyl Ligands: Detailed Spectroscopic and Computational Studies","Journal of the American Chemical Society","2010","132","","2821","2831","10.1021/ja910235g","","","0.71073","MoKα","","0.0649","0.0467","","","0.106","0.1123","","","","","","1.019","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101975","9.8008","0.0005","17.9804","0.001","15.157","0.0008","90","","96.511","0.001","90","","2653.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Br2 Cl2 Mn N4 O9 -","- C20 H26 Br2 Cl2 Mn N4 O9 -","- C80 H104 Br8 Cl8 Mn4 N16 O36 -","4","1","","Robert A. Geiger; Swarup Chattopadhyay; Victor W. Day; Timothy A. Jackson","A Series of Peroxomanganese(III) Complexes Supported by Tetradentate Aminopyridyl Ligands: Detailed Spectroscopic and Computational Studies","Journal of the American Chemical Society","2010","132","","2821","2831","10.1021/ja910235g","","","0.71073","MoKα","","0.0603","0.0402","","","0.0854","0.0908","","","","","","1.017","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101976","18.169","0.002","9.8793","0.0013","14.5449","0.0019","90","","104.277","0.002","90","","2530.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 Cl2 Mn N5 O8 -","- C21 H29 Cl2 Mn N5 O8 -","- C84 H116 Cl8 Mn4 N20 O32 -","4","1","","Robert A. Geiger; Swarup Chattopadhyay; Victor W. Day; Timothy A. Jackson","A Series of Peroxomanganese(III) Complexes Supported by Tetradentate Aminopyridyl Ligands: Detailed Spectroscopic and Computational Studies","Journal of the American Chemical Society","2010","132","","2821","2831","10.1021/ja910235g","","","0.71073","MoKα","","0.0617","0.0479","","","0.1004","0.1065","","","","","","1.043","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101977","13.6307","0.0012","10.7548","0.001","17.2017","0.0016","90","","109.022","0.001","90","","2384","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H28 Cl2 Mn N4 O10 -","- C19 H28 Cl2 Mn N4 O10 -","- C76 H112 Cl8 Mn4 N16 O40 -","4","0.5","","Robert A. Geiger; Swarup Chattopadhyay; Victor W. Day; Timothy A. Jackson","A Series of Peroxomanganese(III) Complexes Supported by Tetradentate Aminopyridyl Ligands: Detailed Spectroscopic and Computational Studies","Journal of the American Chemical Society","2010","132","","2821","2831","10.1021/ja910235g","","","0.71073","MoKα","","0.0538","0.0532","","","0.1254","0.1258","","","","","","1.107","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101978","8.0826","0.0017","8.2727","0.0017","11.499","0.002","93.787","0.002","96.492","0.002","91.748","0.002","761.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C34 H46 N2 O4 S2 -","2","1","","Michal Szostak; Jeffrey Aubé","Synthesis, Structural Analysis, and Reactivity of Bridged Orthoamides by Intramolecular Schmidt Reaction","Journal of the American Chemical Society","2010","132","","2530","2531","10.1021/ja910654t","","","0.71073","MoKα","","0.0578","0.0503","","","0.1251","0.1312","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101979","6.596","0.011","13.08","0.02","11.167","0.018","90","","101.73","0.02","90","","943","3","94","2","94","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 Cl N2 O4 -","- C9 H5 Cl N2 O4 -","- C36 H20 Cl4 N8 O16 -","4","1","","Chambers C. Hughes; William Fenical","Total Synthesis of the Ammosamides","Journal of the American Chemical Society","2010","132","","2528","2529","10.1021/ja9106572","","","0.71073","MoKα","","0.0484","0.0377","","","0.0952","0.1029","","","","","","1.052","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101980","5.4308","0.0009","15.24","0.003","12.964","0.002","90","","98.362","0.003","90","","1061.6","0.3","223.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 Br O7 -","- C23 H23 Br O7 -","- C46 H46 Br2 O14 -","2","1","","Christina M. Woo; Liang Lu; Shivajirao L. Gholap; Devin R. Smith; Seth B. Herzon","Development of a Convergent Entry to the Diazofluorene Antitumor Antibiotics: Enantioselective Synthesis of Kinamycin F","Journal of the American Chemical Society","2010","132","","2540","2541","10.1021/ja910769j","","","0.71075","MoKα","","","0.049","","","","0.1152","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101981","12.2291","0.0001","13.0394","0.0002","16.4212","0.0003","94.7085","0.0008","106.87","0.0006","104.595","0.0006","2390.68","0.06","103","2","103","","","","","","","","","4","P -1","-P 1","2","","","","- C74 H162 O2 Si16 -","- C74 H162 O2 Si16 -","- C74 H162 O2 Si16 -","1","0.5","","Joon Soo Han; Takahiro Sasamori; Yoshiyuki Mizuhata; Norihiro Tokitoh","Reactivity of an Aryl-Substituted Silicon-Silicon Triple Bond: Reactions of a 1,2-Diaryldisilyne with Alkenes","Journal of the American Chemical Society","2010","132","","2546","2547","10.1021/ja9108566","","","0.71075","MoKα","","0.0388","0.0358","","","0.0965","0.0994","","","","","","1.02","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101982","12.9267","0.0001","12.9267","0.0001","52.8783","0.0005","90","","90","","90","","8835.94","0.13","103","2","103","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C66 H144 Si16 -","- C66 H144 Si16 -","- C264 H576 Si64 -","4","0.5","","Joon Soo Han; Takahiro Sasamori; Yoshiyuki Mizuhata; Norihiro Tokitoh","Reactivity of an Aryl-Substituted Silicon-Silicon Triple Bond: Reactions of a 1,2-Diaryldisilyne with Alkenes","Journal of the American Chemical Society","2010","132","","2546","2547","10.1021/ja9108566","","","0.71069","MoKα","","0.0444","0.0436","","","0.1115","0.1121","","","","","","1.217","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101983","12.4662","0.0002","20.0362","0.0003","20.7134","0.0004","107.94","0.0008","104.952","0.0008","98.7788","0.0007","4601.42","0.14","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C72 H158 Si16 -","- C72 H158 Si16 -","- C144 H316 Si32 -","2","1","","Joon Soo Han; Takahiro Sasamori; Yoshiyuki Mizuhata; Norihiro Tokitoh","Reactivity of an Aryl-Substituted Silicon-Silicon Triple Bond: Reactions of a 1,2-Diaryldisilyne with Alkenes","Journal of the American Chemical Society","2010","132","","2546","2547","10.1021/ja9108566","","","0.71069","MoKα","","0.0699","0.0546","","","0.1472","0.158","","","","","","1.023","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101984","20.401","0.003","12.8736","0.0018","24.692","0.003","90","","96.779","0.002","90","","6439.6","1.5","85","2","85","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Cl2 F8 N2 O3 Pd S -","- C28 H32 Cl2 F8 N2 O3 Pd S -","- C224 H256 Cl16 F64 N16 O24 Pd8 S8 -","8","1","","Nicholas D. Ball; Jeff W. Kampf; Melanie S. Sanford","Aryl-CF3 Bond-Forming Reductive Elimination from Palladium(IV)","Journal of the American Chemical Society","2010","132","","2878","2879","10.1021/ja100955x","","","0.71073","MoKα","","0.0921","0.0674","","","0.1202","0.1274","","","","","","1.159","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101985","24.61","0.002","11.1558","0.0009","22.8484","0.0019","90","","111.649","0.001","90","","5830.4","0.8","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Co8 N2 O26 Pt4 -","- C42 H40 Co8 N2 O26 Pt3.9986 -","- C168 H160 Co32 N8 O104 Pt15.9944 -","4","0.5","","Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Joanna Wolowska; Stefano Zacchini; Piero Zanello; Serena Fedi; Mauro Riccò; Daniele Pontiroli; Marcello Mazzani","Magnetic Behavior of Odd- and Even-Electron Metal Carbonyl Clusters: The Case Study of [Co8Pt4C2(CO)24]n- (n = 1, 2) Carbide Cluster","Journal of the American Chemical Society","2010","132","","2919","2927","10.1021/ja907608c","","","0.71073","MoKα","","0.0524","0.0431","","","0.1121","0.1192","","","","","","1.03","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101986","19.0519","0.0013","11.716","0.0008","11.4645","0.0008","90","","104.814","0.001","90","","2474","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36 H16 Co8 N O24 Pt4 -","- C37 H16 Co8 N O24 Pt4.0014 -","- C74 H32 Co16 N2 O48 Pt8.0028 -","2","0.25","","Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Joanna Wolowska; Stefano Zacchini; Piero Zanello; Serena Fedi; Mauro Riccò; Daniele Pontiroli; Marcello Mazzani","Magnetic Behavior of Odd- and Even-Electron Metal Carbonyl Clusters: The Case Study of [Co8Pt4C2(CO)24]n- (n = 1, 2) Carbide Cluster","Journal of the American Chemical Society","2010","132","","2919","2927","10.1021/ja907608c","","","0.71073","MoKα","","0.0289","0.0228","","","0.0506","0.0528","","","","","","1.056","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101987","11.1326","0.0004","30.3345","0.0011","21.2296","0.0008","90","","99.722","0.001","90","","7066.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57.5 H52 Co8 N2 O26 Pt4 -","- C57.5 H52 Co7.99 N2 O26 Pt4 -","- C230 H208 Co31.96 N8 O104 Pt16 -","4","1","","Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Joanna Wolowska; Stefano Zacchini; Piero Zanello; Serena Fedi; Mauro Riccò; Daniele Pontiroli; Marcello Mazzani","Magnetic Behavior of Odd- and Even-Electron Metal Carbonyl Clusters: The Case Study of [Co8Pt4C2(CO)24]n- (n = 1, 2) Carbide Cluster","Journal of the American Chemical Society","2010","132","","2919","2927","10.1021/ja907608c","","","0.71073","MoKα","","0.1378","0.0607","","","0.1434","0.1818","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101988","22.16888","0.00019","4.71127","0.00005","20.16462","0.00023","90","","126.403","0.0005","90","","1695.1","0.03","","","295","","","","","","","","from green tea","3","C 1 2 1","C 2y","5","catechin","(+)-catechin","","- C15 H23 O10.5 -","- C15 H15 O10.5 -","- C60 H60 O42 -","4","1","","James K. Harper; Jennifer A. Doebbler; Elisabeth Jacques; David M. Grant; Robert B. Von Dreele","A Combined Solid-State NMR and Synchrotron X-ray Diffraction Powder Study on the Structure of the Antioxidant (+)-Catechin 4.5-hydrate.","Journal of the American Chemical Society","2010","132","","2928","2937","10.1021/ja907671p","powder diffraction","x-ray","0.813386","","","","","","","","","0.2215","","1.36","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4101989","7.7377","0.0015","23.547","0.005","11.699","0.002","90","","102.15","0.03","90","","2083.8","0.7","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H26 N2 O3 -","- C26 H26 N2 O3 -","- C104 H104 N8 O12 -","4","1","","Erica L. Campbell; Andrea M. Zuhl; Christopher M. Liu; Dale L. Boger","Total Synthesis of (+)-Fendleridine (Aspidoalbidine) and (+)-1-Acetylaspidoalbidine","Journal of the American Chemical Society","2010","132","","3009","3012","10.1021/ja908819q","","","0.71073","MoKα","","0.1441","0.0707","","","0.0709","0.0866","","","","","","1.001","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101990","7.9428","0.0016","27.42","0.006","40.909","0.008","90","","90","","90","","8910","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36.67 N2 O4.33 S2 -","- C30 H35.3333 N2 O4.33333 S2 -","- C360 H424 N24 O52 S24 -","12","3","","Erica L. Campbell; Andrea M. Zuhl; Christopher M. Liu; Dale L. Boger","Total Synthesis of (+)-Fendleridine (Aspidoalbidine) and (+)-1-Acetylaspidoalbidine","Journal of the American Chemical Society","2010","132","","3009","3012","10.1021/ja908819q","","","0.71073","MoKα","","0.1836","0.099","","","0.2048","0.251","","","","","","0.994","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101991","15.727","0.003","16.547","0.003","18.515","0.004","90.84","0.03","92.62","0.03","117.68","0.03","4258.9","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C103.12 H153.28 Cl9.37 N20 O5.08 S20 Sn12 -","- C103.118 H151.118 Cl9.354 N20 O5.086 S20 Sn12 -","- C103.118 H151.118 Cl9.354 N20 O5.086 S20 Sn12 -","1","0.5","","Zohreh Hassanzadeh Fard; Mohammad Reza Halvagar; Stefanie Dehnen","Directed Formation of an Organotin Sulfide Cavitand and Its Transformation into a Rugby-Ball-like Capsule","Journal of the American Chemical Society","2010","132","","2848","2849","10.1021/ja908917w","","","0.71073","MoKα","","0.187","0.0749","","","0.1392","0.1691","","","","","","0.756","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101992","19.434","0.004","28.124","0.006","19.367","0.004","90","","103","0.03","90","","10314","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H114 Cl6 N15 O4.5 S8 Sn8 -","- C75 H104 Cl6 N15 O4.5 S8 Sn8 -","- C300 H416 Cl24 N60 O18 S32 Sn32 -","4","1","","Zohreh Hassanzadeh Fard; Mohammad Reza Halvagar; Stefanie Dehnen","Directed Formation of an Organotin Sulfide Cavitand and Its Transformation into a Rugby-Ball-like Capsule","Journal of the American Chemical Society","2010","132","","2848","2849","10.1021/ja908917w","","","0.71073","MoKα","","0.0524","0.0464","","","0.1119","0.1143","","","","","","1.156","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101993","14.142","0.0007","13.4738","0.0006","19.9129","0.0009","90","","115.044","0.001","90","","3437.6","0.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 O10 Ti2 -","- C30 H52 O10 Ti2 -","- C120 H208 O40 Ti8 -","4","1","","Jason B. Benedict; Philip Coppens","The Crystalline Nanocluster Phase as a Medium for Structural and Spectroscopic Studies of Light Absorption of Photosensitizer Dyes on Semiconductor Surfaces","Journal of the American Chemical Society","2010","132","","2938","2944","10.1021/ja909600w","","","0.71073","MoKα","","0.0462","0.0309","","","0.0779","0.0862","","","","","","1.026","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4101994","23.498","0.008","23.498","0.008","17.407","0.004","90","","90","","120","","8324","4","90","2","90","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H32 O12 Ti2 -","- C40 H32 O12 Ti2 -","- C360 H288 O108 Ti18 -","9","0.5","","Jason B. Benedict; Philip Coppens","The Crystalline Nanocluster Phase as a Medium for Structural and Spectroscopic Studies of Light Absorption of Photosensitizer Dyes on Semiconductor Surfaces","Journal of the American Chemical Society","2010","132","","2938","2944","10.1021/ja909600w","","","0.71073","MoKα","","0.0828","0.0448","","","0.1158","0.1313","","","","","","1.349","","","","has coordinates","270822","2021-11-23","08:35:17",""
"4101995","11.7389","0.0019","12.886","0.002","18.312","0.002","94.758","0.004","90.202","0.005","116.344","0.004","2471.3","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H61 N3 O14 Ti3 -","- C39 H61 N3 O14 Ti3 -","- C78 H122 N6 O28 Ti6 -","2","1","","Jason B. Benedict; Philip Coppens","The Crystalline Nanocluster Phase as a Medium for Structural and Spectroscopic Studies of Light Absorption of Photosensitizer Dyes on Semiconductor Surfaces","Journal of the American Chemical Society","2010","132","","2938","2944","10.1021/ja909600w","","","0.71073","MoKα","","0.0715","0.0465","","","0.1378","0.1621","","","","","","1.001","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101996","11.8121","0.0015","19.17","0.002","20.403","0.004","90","","94.052","0.006","90","","4608.5","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H58 N2 O16 Ti4 -","- C32 H58 N2 O16 Ti4 -","- C128 H232 N8 O64 Ti16 -","4","0.5","","Jason B. Benedict; Philip Coppens","The Crystalline Nanocluster Phase as a Medium for Structural and Spectroscopic Studies of Light Absorption of Photosensitizer Dyes on Semiconductor Surfaces","Journal of the American Chemical Society","2010","132","","2938","2944","10.1021/ja909600w","","","0.71073","MoKα","","0.0858","0.0497","","","0.1149","0.1471","","","","","","1.064","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101997","29.6492","0.0016","29.6492","0.0016","26.4727","0.0015","90","","90","","120","","20153.7","1.9","90","2","90","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C68 H82 N6 O24 Ti6 -","- C68 H82 N6 O24 Ti6 -","- C612 H738 N54 O216 Ti54 -","9","0.5","","Jason B. Benedict; Philip Coppens","The Crystalline Nanocluster Phase as a Medium for Structural and Spectroscopic Studies of Light Absorption of Photosensitizer Dyes on Semiconductor Surfaces","Journal of the American Chemical Society","2010","132","","2938","2944","10.1021/ja909600w","","","0.71073","MoKα","","0.0808","0.0511","","","0.1491","0.1794","","","","","","1.126","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101998","13.665","0.0017","15.023","0.003","23.14","0.005","89.508","0.006","74.253","0.006","64.397","0.005","4090.7","1.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C73 H102 O23 Ti6 -","- C73 H102 O23 Ti6 -","- C146 H204 O46 Ti12 -","2","1","","Jason B. Benedict; Philip Coppens","The Crystalline Nanocluster Phase as a Medium for Structural and Spectroscopic Studies of Light Absorption of Photosensitizer Dyes on Semiconductor Surfaces","Journal of the American Chemical Society","2010","132","","2938","2944","10.1021/ja909600w","","","0.71073","MoKα","","0.131","0.0498","","","0.1236","0.1721","","","","","","1.047","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101999","15.899","0.003","23.957","0.006","32.134","0.009","99.821","0.005","98.285","0.005","104.358","0.01","11459","5","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C84 O48 Ti17 -","- C84 O48 Ti17 -","- C336 O192 Ti68 -","4","2","","Jason B. Benedict; Philip Coppens","The Crystalline Nanocluster Phase as a Medium for Structural and Spectroscopic Studies of Light Absorption of Photosensitizer Dyes on Semiconductor Surfaces","Journal of the American Chemical Society","2010","132","","2938","2944","10.1021/ja909600w","","","0.71073","MoKα","","0.2354","0.0849","","","0.2307","0.3272","","","","","","0.997","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4102000","27.8184","0.0009","27.8184","0.0009","13.4328","0.0004","90","","90","","90","","10395.2","0.6","90","2","90","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C72 H128 N4 O48 Ti17 -","- C72 H128 N4 O48 Ti17 -","- C288 H512 N16 O192 Ti68 -","4","0.25","","Jason B. Benedict; Philip Coppens","The Crystalline Nanocluster Phase as a Medium for Structural and Spectroscopic Studies of Light Absorption of Photosensitizer Dyes on Semiconductor Surfaces","Journal of the American Chemical Society","2010","132","","2938","2944","10.1021/ja909600w","","","0.71073","MoKα","","0.1176","0.0757","","","0.2077","0.2579","","","","","","1.142","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102001","11.5552","0.001","10.8939","0.001","16.3676","0.0014","90","","97.288","0.002","90","","2043.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F N O4 S2 -","- C21 H20 F N O4 S2 -","- C84 H80 F4 N4 O16 S8 -","4","1","","Shuifa Qiu; Tao Xu; Juan Zhou; Yinlong Guo; Guosheng Liu","Palladium-Catalyzed Intermolecular Aminofluorination of Styrenes","Journal of the American Chemical Society","2010","132","","2856","2857","10.1021/ja909716k","","","0.71073","MoKα","","0.0666","0.0493","","","0.1259","0.1352","","","","","","1.029","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102002","8.353","0.004","12.674","0.007","9.879","0.005","90","","108.004","0.01","90","","994.6","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H18 F N O4 S2 -","- C21 H18 F N O4 S2 -","- C42 H36 F2 N2 O8 S4 -","2","1","","Shuifa Qiu; Tao Xu; Juan Zhou; Yinlong Guo; Guosheng Liu","Palladium-Catalyzed Intermolecular Aminofluorination of Styrenes","Journal of the American Chemical Society","2010","132","","2856","2857","10.1021/ja909716k","","","0.71073","MoKα","","0.1524","0.1248","","","0.2978","0.323","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102003","17.108","0.004","8.685","0.002","27.413","0.006","90","","96.397","0.005","90","","4047.7","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 F N O4 S2 -","- C22 H20 F N O4 S2 -","- C176 H160 F8 N8 O32 S16 -","8","2","","Shuifa Qiu; Tao Xu; Juan Zhou; Yinlong Guo; Guosheng Liu","Palladium-Catalyzed Intermolecular Aminofluorination of Styrenes","Journal of the American Chemical Society","2010","132","","2856","2857","10.1021/ja909716k","","","0.71073","MoKα","","0.106","0.0526","","","0.1017","0.115","","","","","","0.814","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102004","13.417","0.0011","17.6111","0.0014","8.6693","0.0007","90","","90","","90","","2048.5","0.3","293","2","293","2","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C22 H20 F N O4 S2 -","- C22 H20 F N O4 S2 -","- C88 H80 F4 N4 O16 S8 -","4","1","","Shuifa Qiu; Tao Xu; Juan Zhou; Yinlong Guo; Guosheng Liu","Palladium-Catalyzed Intermolecular Aminofluorination of Styrenes","Journal of the American Chemical Society","2010","132","","2856","2857","10.1021/ja909716k","","","0.71073","MoKα","","0.047","0.0426","","","0.0992","0.1015","","","","","","0.99","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102005","14.7686","0.0012","7.8219","0.0006","17.1905","0.0014","90","","100.447","0.002","90","","1952.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 F2 N O4 S2 -","- C20 H17 F2 N O4 S2 -","- C80 H68 F8 N4 O16 S8 -","4","1","","Shuifa Qiu; Tao Xu; Juan Zhou; Yinlong Guo; Guosheng Liu","Palladium-Catalyzed Intermolecular Aminofluorination of Styrenes","Journal of the American Chemical Society","2010","132","","2856","2857","10.1021/ja909716k","","","0.71073","MoKα","","0.0494","0.0425","","","0.1142","0.1184","","","","","","1.037","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102006","8.6167","0.0014","10.7071","0.0017","12.271","0.002","78.669","0.003","84.33","0.003","66.61","0.002","1018.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 F N O4 S2 -","- C21 H20 F N O4 S2 -","- C42 H40 F2 N2 O8 S4 -","2","1","","Shuifa Qiu; Tao Xu; Juan Zhou; Yinlong Guo; Guosheng Liu","Palladium-Catalyzed Intermolecular Aminofluorination of Styrenes","Journal of the American Chemical Society","2010","132","","2856","2857","10.1021/ja909716k","","","0.71073","MoKα","","0.0498","0.0435","","","0.1207","0.1254","","","","","","1.034","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102007","8.3529","0.001","9.3193","0.0011","13.692","0.0017","105.759","0.002","94.136","0.002","102.117","0.002","993.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 F N O4 S2 -","- C21 H18 F N O4 S2 -","- C42 H36 F2 N2 O8 S4 -","2","1","","Shuifa Qiu; Tao Xu; Juan Zhou; Yinlong Guo; Guosheng Liu","Palladium-Catalyzed Intermolecular Aminofluorination of Styrenes","Journal of the American Chemical Society","2010","132","","2856","2857","10.1021/ja909716k","","","0.71073","MoKα","","0.0558","0.0456","","","0.1153","0.1211","","","","","","0.975","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102008","30.357","0.002","22.0294","0.0016","38.924","0.004","90","","104.353","0.002","90","","25218","4","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C104 H28 F64 N8 O16 -","- C104 H28 F64 N8 O16 -","- C832 H224 F512 N64 O128 -","8","1","","Jong Min Lim; Jae-Yoon Shin; Yasuo Tanaka; Shohei Saito; Atsuhiro Osuka; Dongho Kim","Protonated [4n]π and [4n+2]π Octaphyrins Choose Their Möbius/Hückel Aromatic Topology","Journal of the American Chemical Society","2010","132","","3105","3114","10.1021/ja909744z","","","0.71073","MoKα","","0.139","0.0939","","","0.2698","0.2905","","","","","","1.062","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102009","34.518","0.005","25.907","0.004","15.38","0.002","90","","108.491","0.003","90","","13044","3","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C92 H24 F46 N8 O5 -","- C92 H24 F46 N8 O5 -","- C368 H96 F184 N32 O20 -","4","0.5","","Jong Min Lim; Jae-Yoon Shin; Yasuo Tanaka; Shohei Saito; Atsuhiro Osuka; Dongho Kim","Protonated [4n]π and [4n+2]π Octaphyrins Choose Their Möbius/Hückel Aromatic Topology","Journal of the American Chemical Society","2010","132","","3105","3114","10.1021/ja909744z","","","0.71073","MoKα","","0.1243","0.0725","","","0.1916","0.2108","","","","","","0.861","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102010","28.184","0.004","11.7485","0.0011","21.651","0.003","90","","97.261","0.018","90","","7111.6","1.6","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","dilithium[(μ-1,4-butadiyne)bis(tricarbonyl{1,2-bis(diphenylphosphino)ethane}tungsten)]","","- C78 H80 Li2 O10 P4 W2 -","- C78 H80 Li2 O10 P4 W2 -","- C312 H320 Li8 O40 P16 W8 -","4","0.5","","Sergey N. Semenov; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes","Journal of the American Chemical Society","2010","132","","3115","3127","10.1021/ja909764x","","","0.71073","MoKα","","0.0591","0.0326","","","0.0658","0.071","","","","","","0.872","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102011","24.5678","0.0002","13.6187","0.0001","20.6625","0.0001","90","","92.2971","0.0006","90","","6907.73","0.08","183","2","183","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","[(μ-but-2-yn-1,4-diylidyne)bis(dicarbonyl{1,2-bis(diphenylphosphino)ethane}iodotungsten)]","","- C62 H52 Cl4 I2 O4 P4 W2 -","- C62 H52 Cl4 I2 O4 P4 W2 -","- C248 H208 Cl16 I8 O16 P16 W8 -","4","0.5","","Sergey N. Semenov; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes","Journal of the American Chemical Society","2010","132","","3115","3127","10.1021/ja909764x","","","0.71073","MoKα","","0.0388","0.0246","","","0.0809","0.0857","","","","","","1.108","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102012","9.5159","0.0002","9.9084","0.0002","18.0985","0.0003","79.654","0.002","84.718","0.002","75.752","0.002","1625.03","0.06","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","[tricarbonyl(1,2-bis{diphenylphosphino}ethane)-2-phenylethynyltungsten)]","","- C37 H29 I O3 P2 W -","- C37 H29 I O3 P2 W -","- C74 H58 I2 O6 P4 W2 -","2","1","","Sergey N. Semenov; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes","Journal of the American Chemical Society","2010","132","","3115","3127","10.1021/ja909764x","","","0.71073","MoKα","","0.0233","0.0194","","","0.0446","0.0452","","","","","","1.026","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102013","11.6313","0.0005","8.9452","0.0004","27.3906","0.001","90","","94.231","0.004","90","","2842.1","0.2","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(μ-2,3-dimethylbut-2-en-1,4-diylidyne)bis(dicarbonyl{1,2-bis(diphenylphosphino)ethane}iodotungsten)]","","- C62 H54 I2 O4 P4 W2 -","- C62 H54 I2 O4 P4 W2 -","- C124 H108 I4 O8 P8 W4 -","2","0.5","","Sergey N. Semenov; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes","Journal of the American Chemical Society","2010","132","","3115","3127","10.1021/ja909764x","","","0.71073","MoKα","","0.1029","0.0505","","","0.1203","0.1564","","","","","","0.986","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102014","19.357","0.003","11.0318","0.001","30.138","0.004","90","","107.685","0.014","90","","6131.6","1.4","183","2","183","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","[(μ-2,3-dimethylbut-2-en-1,4-diylidyne)bis(dicarbonyl{1,2-bis(diphenylphosphino)ethane}chlorotungsten)]","","- C64 H57 Cl2 N O4 P4 W2 -","- C64 H57 Cl2 N O4 P4 W2 -","- C256 H228 Cl8 N4 O16 P16 W8 -","4","0.5","","Sergey N. Semenov; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes","Journal of the American Chemical Society","2010","132","","3115","3127","10.1021/ja909764x","","","0.71073","MoKα","","0.0438","0.0388","","","0.1022","0.1052","","","","","","1.057","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102015","24.9296","0.0002","12.9619","0.0002","20.4535","0.0002","90","","92.7816","0.001","90","","6601.45","0.13","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[(μ-but-2-yn-1,4-diylidyne)bis(dicarbonyl{1,2-bis(diphenylphosphino)ethane} chlorotungsten)]","","- C66 H54 Cl2 O4 P4 W2 -","- C66 H54 Cl2 O4 P4 W2 -","- C264 H216 Cl8 O16 P16 W8 -","4","0.5","","Sergey N. Semenov; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes","Journal of the American Chemical Society","2010","132","","3115","3127","10.1021/ja909764x","","","0.71073","MoKα","","0.044","0.0288","","","0.0804","0.0849","","","","","","1.038","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102016","13.1172","0.0002","13.7047","0.0003","22.2271","0.0005","103.552","0.002","92.316","0.002","116.301","0.002","3434.31","0.14","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","[(μ-but-2-yn-1,4-diylidyne)bis(dicarbonyl{1,2-bis(diphenylphosphino)ethane}isothiocyanatetungsten)]","","- C73 H66 N2 O4 P4 S2 W2 -","- C73 H66 N2 O4 P4 S2 W2 -","- C146 H132 N4 O8 P8 S4 W4 -","2","1","","Sergey N. Semenov; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes","Journal of the American Chemical Society","2010","132","","3115","3127","10.1021/ja909764x","","","0.71073","MoKα","","0.0849","0.0404","","","0.0804","0.0928","","","","","","0.951","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102017","34.7541","0.0003","13.2842","0.0001","20.1653","0.0002","90","","96.467","0.001","90","","9250.68","0.14","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[(μ-but-2-yn-1,4-diylidyne)bis(di{1,2-bis(diphenylphosphino)ethane}iodotungsten)]","","- C434 H388 Cl4 I8 P32 W8 -","- C434 H388 Cl4 I8 P32 W8 -","- C434 H388 Cl4 I8 P32 W8 -","1","0.125","","Sergey N. Semenov; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes","Journal of the American Chemical Society","2010","132","","3115","3127","10.1021/ja909764x","","","0.71073","MoKα","","0.0328","0.0254","","","0.0675","0.069","","","","","","1.1","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102018","18.7529","0.0006","23.9809","0.0007","19.4363","0.0007","90","","115.899","0.004","90","","7862.9","0.5","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[(μ-but-2-yn-1,4-diylidyne(dicarbonyl(tri{1,2-bis(diphenylphosphinoethane)})diiodo-ditungsten)]","","- C169 H146 Cl2 I4 O4 P12 W4 -","- C169 H146 Cl2 I4 O4 P12 W4 -","- C338 H292 Cl4 I8 O8 P24 W8 -","2","0.5","","Sergey N. Semenov; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes","Journal of the American Chemical Society","2010","132","","3115","3127","10.1021/ja909764x","","","0.71073","MoKα","","0.1012","0.0462","","","0.1017","0.1371","","","","","","1.117","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102019","16.9627","0.0002","16.7625","0.0002","36.087","0.0001","90","","118.139","0.001","90","","9048.1","0.18","183","2","183","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[(μ-but-2-yn-1,4-diylidyne)(dicarbonyl)(tri{1,2-bis (diphenylphosphinoethane)})diiodo-ditungsten)] hexafluorophosphate","","- C185 H178 Cl2 F12 I4 O8 P14 W4 -","- C185 H178 Cl2 F12 I4 O8 P14 W4 -","- C370 H356 Cl4 F24 I8 O16 P28 W8 -","2","0.5","","Sergey N. Semenov; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes","Journal of the American Chemical Society","2010","132","","3115","3127","10.1021/ja909764x","","","0.71073","MoKα","","0.1383","0.0583","","","0.1331","0.1621","","","","","","0.934","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102020","14.9937","0.0004","8.5295","0.0003","32.9024","0.001","90","","91.939","0.003","90","","4205.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","10,25-Diphenyl-5,15,20,30-tetramesityl-A,D-di-p-benzi[28]hexaphyrin(1.1.1.1.1.1)bis(trifluoroacetic acid) salt, tetrakis(trifluoroacetic acid) solvate","","- C94 H78 F18 N4 O12 -","- C94 H78 F18 N4 O12 -","- C188 H156 F36 N8 O24 -","2","0.5","","Marcin Stępień; Bartosz Szyszko; Lechosław Latos-Grażyński","Three-Level Topology Switching in a Molecular Möbius Band","Journal of the American Chemical Society","2010","132","","3140","3152","10.1021/ja909913y","","","0.71073","MoKα","","0.1311","0.0647","","","0.1436","0.1605","","","","","","0.904","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102021","13.8174","0.0011","15.2926","0.0012","16.7367","0.0013","90","","91.214","0.006","90","","3535.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C38 H52 N2 Si Ni","","","- C38 H52 N2 Ni Si -","- C38 H52 N2 Ni Si -","- C152 H208 N8 Ni4 Si4 -","4","1","","Antje Meltzer; Shigeyoshi Inoue; Carsten Präsang; Matthias Driess","Steering S-H and N-H Bond Activation by a Stable N-Heterocyclic Silylene: Different Addition of H2S, NH3, and Organoamines on a Silicon(II) Ligand versus Its Si(II)\ρightarrowNi(CO)3Complex","Journal of the American Chemical Society","2010","132","","3038","3046","10.1021/ja910305p","","","0.71073","MoKα","","0.1336","0.0393","","","0.0546","0.0639","","","","","","0.683","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102022","8.9717","0.0002","16.5067","0.0004","22.7886","0.0007","90","","100.494","0.003","90","","3318.39","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LSi=Ni-(h6-C6H6)","","","- C35 H46 N2 Ni Si -","- C35 H46 N2 Ni Si -","- C140 H184 N8 Ni4 Si4 -","4","1","","Antje Meltzer; Shigeyoshi Inoue; Carsten Präsang; Matthias Driess","Steering S-H and N-H Bond Activation by a Stable N-Heterocyclic Silylene: Different Addition of H2S, NH3, and Organoamines on a Silicon(II) Ligand versus Its Si(II)\ρightarrowNi(CO)3Complex","Journal of the American Chemical Society","2010","132","","3038","3046","10.1021/ja910305p","","","0.71073","","","0.0608","0.0416","","","0.0863","0.0923","","","","","","1.051","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102023","13.4204","0.0005","16.5796","0.0006","15.4482","0.0006","90","","92.315","0.004","90","","3434.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 N2 S Si -","- C36 H50 N2 S Si -","- C144 H200 N8 S4 Si4 -","4","1","","Antje Meltzer; Shigeyoshi Inoue; Carsten Präsang; Matthias Driess","Steering S-H and N-H Bond Activation by a Stable N-Heterocyclic Silylene: Different Addition of H2S, NH3, and Organoamines on a Silicon(II) Ligand versus Its Si(II)\ρightarrowNi(CO)3Complex","Journal of the American Chemical Society","2010","132","","3038","3046","10.1021/ja910305p","","","0.71073","","","0.0833","0.0555","","","0.114","0.1243","","","","","","1.083","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102024","9.8033","0.0002","19.9945","0.0004","16.6768","0.0003","90","","100.85","0.002","90","","3210.42","0.11","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","LSi(SH)-Ni(CO)3","","","- C32 H42 N2 Ni O3 S Si -","- C32 H42 N2 Ni O3 S Si -","- C128 H168 N8 Ni4 O12 S4 Si4 -","4","1","","Antje Meltzer; Shigeyoshi Inoue; Carsten Präsang; Matthias Driess","Steering S-H and N-H Bond Activation by a Stable N-Heterocyclic Silylene: Different Addition of H2S, NH3, and Organoamines on a Silicon(II) Ligand versus Its Si(II)\ρightarrowNi(CO)3Complex","Journal of the American Chemical Society","2010","132","","3038","3046","10.1021/ja910305p","","","0.71073","MoKα","","0.0698","0.0402","","","0.0833","0.0909","","","","","","0.973","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102025","8.822","0.0003","20.0098","0.0004","9.7785","0.0003","90","","111.974","0.003","90","","1600.76","0.09","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","HLSi(NH2)-Ni(CO)3","","","- C32 H43 N3 Ni O3 Si -","- C32 H43 N3 Ni O3 Si -","- C64 H86 N6 Ni2 O6 Si2 -","2","0.5","","Antje Meltzer; Shigeyoshi Inoue; Carsten Präsang; Matthias Driess","Steering S-H and N-H Bond Activation by a Stable N-Heterocyclic Silylene: Different Addition of H2S, NH3, and Organoamines on a Silicon(II) Ligand versus Its Si(II)\ρightarrowNi(CO)3Complex","Journal of the American Chemical Society","2010","132","","3038","3046","10.1021/ja910305p","","","0.71073","MoKα","","0.0684","0.0466","","","0.0932","0.0998","","","","","","1.103","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102026","39.9171","0.0009","10.9265","0.0002","18.2378","0.0004","90","","94.946","0.002","90","","7924.9","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","HLSi(NHiPr)-Ni(CO)3 * C6H6","","","- C41 H55 N3 Ni O3 Si -","- C41 H55 N3 Ni O3 Si -","- C328 H440 N24 Ni8 O24 Si8 -","8","1","","Antje Meltzer; Shigeyoshi Inoue; Carsten Präsang; Matthias Driess","Steering S-H and N-H Bond Activation by a Stable N-Heterocyclic Silylene: Different Addition of H2S, NH3, and Organoamines on a Silicon(II) Ligand versus Its Si(II)\ρightarrowNi(CO)3Complex","Journal of the American Chemical Society","2010","132","","3038","3046","10.1021/ja910305p","","","0.71073","MoKα","","0.0463","0.0342","","","0.0742","0.0777","","","","","","1.041","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102027","21.5161","0.0007","11.0448","0.0004","15.4285","0.0005","90","","98.676","0.003","90","","3624.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","HLSi(HN-NHPh)-Ni(CO)3","","","- C38 H48 N4 Ni O3 Si -","- C38 H48 N4 Ni O3 Si -","- C152 H192 N16 Ni4 O12 Si4 -","4","1","","Antje Meltzer; Shigeyoshi Inoue; Carsten Präsang; Matthias Driess","Steering S-H and N-H Bond Activation by a Stable N-Heterocyclic Silylene: Different Addition of H2S, NH3, and Organoamines on a Silicon(II) Ligand versus Its Si(II)\ρightarrowNi(CO)3Complex","Journal of the American Chemical Society","2010","132","","3038","3046","10.1021/ja910305p","","","0.71073","MoKα","","0.1717","0.0785","","","0.0807","0.0981","","","","","","0.987","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102028","26.313","0.004","26.313","0.004","31.709","0.005","90","","90","","90","","21954","6","90","2","90","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C119.52 H156.96 N52.56 O94.8 Pd6 -","- C119.52 H156.96 N52.56 O94.804 Pd6 -","- C478.08 H627.84 N210.24 O379.216 Pd24 -","4","0.25","","Takashi Murase; Shinnosuke Horiuchi; Makoto Fujita","Naphthalene Diels-Alder in a Self-Assembled Molecular Flask","Journal of the American Chemical Society","2010","132","","2866","2867","10.1021/ja9107275","","","0.71073","MoKα","","0.1495","0.0684","","","0.1842","0.2501","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102029","26.222","0.003","26.222","0.003","31.65","0.006","90","","90","","90","","21762","5","90","2","90","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C132 H173 N48.9 O92.89 Pd6 -","- C132 H173 N48.9 O92.884 Pd6 -","- C528 H692 N195.6 O371.536 Pd24 -","4","0.25","","Takashi Murase; Shinnosuke Horiuchi; Makoto Fujita","Naphthalene Diels-Alder in a Self-Assembled Molecular Flask","Journal of the American Chemical Society","2010","132","","2866","2867","10.1021/ja9107275","","","0.71073","MoKα","","0.1109","0.0655","","","0.1725","0.2122","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102030","8.2992","0.0005","9.2248","0.0013","27.3952","0.0005","90","","90","","90","","2097.3","0.3","88.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 F N O5 P -","- C19 H29 F N O5 P -","- C76 H116 F4 N4 O20 P4 -","4","1","","Yasuhiro Yamashita; Xun-Xiang Guo; Ryuta Takashita; Shū Kobayashi","Chiral Silver Amide-Catalyzed Enantioselective [3 + 2] Cycloaddition of α-Aminophosphonates with Olefins","Journal of the American Chemical Society","2010","132","","3262","3263","10.1021/ja100101n","","","0.71075","MoKα","","","0.0512","","","","0.073","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102031","8.6413","0.0001","17.5979","0.0002","18.4606","0.0002","90","","90","","90","","2807.28","0.05","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","RajanBabu 1754","","","- C29 H30 Cl2 Co P2 -","- C29 H30 Cl2 Co P2 -","- C116 H120 Cl8 Co4 P8 -","4","1","","Rakesh K. Sharma; T. V. RajanBabu","Asymmetric Hydrovinylation of Unactivated Linear 1,3-Dienes","Journal of the American Chemical Society","2010","132","","3295","3297","10.1021/ja1004703","","x-ray","0.71073","MoKα","","0.0461","0.0301","","","0.0565","0.0609","","","","","","1.048","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102032","17.2321","0.0002","9.5331","0.0001","18.4717","0.0002","90","","91.638","0.001","90","","3033.2","0.06","150","2","150","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","RajanBabu 1745","","","- C31 H32 Cl2 Co O2 P2 -","- C31 H32 Cl2 Co O2 P2 -","- C124 H128 Cl8 Co4 O8 P8 -","4","2","","Rakesh K. Sharma; T. V. RajanBabu","Asymmetric Hydrovinylation of Unactivated Linear 1,3-Dienes","Journal of the American Chemical Society","2010","132","","3295","3297","10.1021/ja1004703","","x-ray","0.71073","MoKα","","0.0515","0.0375","","","0.0744","0.0795","","","","","","1.014","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102033","9.7744","0.0004","10.3565","0.0004","14.9063","0.0006","92.554","0.002","104.359","0.002","105.481","0.002","1398.82","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H72 B3 F4 O6 P2 Re -","- C56 H72 B3 F4 O6 P2 Re -","- C56 H72 B3 F4 O6 P2 Re -","1","0.5","","Alexander J. M. Miller; Jay A. Labinger; John E. Bercaw","Homogeneous CO Hydrogenation: Dihydrogen Activation Involves a Frustrated Lewis Pair Instead of a Platinum Complex","Journal of the American Chemical Society","2010","132","","3301","3303","10.1021/ja100574n","","","0.71073","MoKα","","0.0311","0.0306","","","0.0591","0.0592","","","","","","2.373","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4102034","7.3944","0.0005","9.7049","0.0007","21.9189","0.0015","90","","90","","90","","1572.94","0.19","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Br N -","- C17 H24 Br N -","- C68 H96 Br4 N4 -","4","1","","Tatsuya Ito; Larry E. Overman; Jocelyn Wang","Enantioselective Synthesis of Angularly Substituted 1-Azabicyclic Ring Systems: Dynamic Kinetic Resolution Using Aza-Cope Rearrangements","Journal of the American Chemical Society","2010","132","","3272","3273","10.1021/ja100607z","","","0.71073","MoKα","","0.0197","0.0189","","","0.0464","0.0467","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102035","14.767","0.002","9.1855","0.0012","16.607","0.003","90","","105.692","0.006","90","","2168.7","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 O3 -","- C32 H20 O3 -","- C128 H80 O12 -","4","0.5","","Steven E. Wheeler; Anne J. McNeil; Peter Müller; Timothy M. Swager; K. N. Houk","Probing Substituent Effects in Aryl-Aryl Interactions Using Stereoselective Diels-Alder Cycloadditions","Journal of the American Chemical Society","2010","132","","3304","3311","10.1021/ja903653j","","","0.71073","MoKα","","0.0471","0.0427","","","0.113","0.1187","","","","","","1.051","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102036","9.319","0.003","10.361","0.003","13.908","0.003","86.862","0.008","87.431","0.007","66.934","0.007","1233.3","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H24 O5 -","- C34 H24 O5 -","- C68 H48 O10 -","2","1","","Steven E. Wheeler; Anne J. McNeil; Peter Müller; Timothy M. Swager; K. N. Houk","Probing Substituent Effects in Aryl-Aryl Interactions Using Stereoselective Diels-Alder Cycloadditions","Journal of the American Chemical Society","2010","132","","3304","3311","10.1021/ja903653j","","","0.71073","MoKα","","0.0676","0.0503","","","0.1341","0.1479","","","","","","1.072","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102037","10.1757","0.0003","25.7175","0.0008","10.2216","0.0003","90","","118.376","0.001","90","","2353.53","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 O3 -","- C34 H24 O3 -","- C136 H96 O12 -","4","1","","Steven E. Wheeler; Anne J. McNeil; Peter Müller; Timothy M. Swager; K. N. Houk","Probing Substituent Effects in Aryl-Aryl Interactions Using Stereoselective Diels-Alder Cycloadditions","Journal of the American Chemical Society","2010","132","","3304","3311","10.1021/ja903653j","","","0.71073","MoKα","","0.0451","0.0394","","","0.1042","0.1093","","","","","","1.027","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102038","9.4171","0.0003","10.5841","0.0003","13.7962","0.0004","87.083","0.001","83.008","0.001","82.652","0.001","1352.78","0.07","142","2","142","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H26 Cl2 O3 -","- C35 H26 Cl2 O3 -","- C70 H52 Cl4 O6 -","2","1","","Steven E. Wheeler; Anne J. McNeil; Peter Müller; Timothy M. Swager; K. N. Houk","Probing Substituent Effects in Aryl-Aryl Interactions Using Stereoselective Diels-Alder Cycloadditions","Journal of the American Chemical Society","2010","132","","3304","3311","10.1021/ja903653j","","","0.71073","MoKα","","0.0516","0.0442","","","0.1204","0.1277","","","","","","1.03","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102039","9.264","0.005","10.318","0.006","13.601","0.008","84.916","0.009","86.667","0.009","67.45","0.008","1195.5","1.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H18 Br2 O3 -","- C32 H18 Br2 O3 -","- C64 H36 Br4 O6 -","2","1","","Steven E. Wheeler; Anne J. McNeil; Peter Müller; Timothy M. Swager; K. N. Houk","Probing Substituent Effects in Aryl-Aryl Interactions Using Stereoselective Diels-Alder Cycloadditions","Journal of the American Chemical Society","2010","132","","3304","3311","10.1021/ja903653j","","","0.71073","MoKα","","0.0447","0.0371","","","0.0964","0.1017","","","","","","1.05","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102040","23.1603","0.0012","23.1603","0.0012","23.1603","0.0012","90","","90","","90","","12423.2","1.1","123","2","123","2","","","","","","","","7","I m -3","-I 2 2 3","204","","","","- C144 H175 Co4 N36 O165 P3 W36 -","- C144 H132 Co4 N36 O165 P3 W36 -","- C288 H264 Co8 N72 O330 P6 W72 -","2","0.0416667","","Chunying Duan; Meilin Wei; Dong Guo; Cheng He; Qingjin Meng","Crystal Structures and Properties of Large Protonated Water Clusters Encapsulated by Metal-Organic Frameworks","Journal of the American Chemical Society","2010","132","","3321","3330","10.1021/ja907023c","","","0.71073","MoKα","","0.057","0.0516","","","0.2052","0.2115","","","","","","1.013","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102041","23.2292","0.0011","23.2292","0.0011","23.2292","0.0011","90","","90","","90","","12534.4","1","123","2","123","2","","","","","","","","7","I m -3","-I 2 2 3","204","","","","- C144 H189 Co4 Mo36 N36 O172 P3 -","- C144 H188.96 Co4 Mo36 N36 O172 P3 -","- C288 H377.92 Co8 Mo72 N72 O344 P6 -","2","0.0416667","","Chunying Duan; Meilin Wei; Dong Guo; Cheng He; Qingjin Meng","Crystal Structures and Properties of Large Protonated Water Clusters Encapsulated by Metal-Organic Frameworks","Journal of the American Chemical Society","2010","132","","3321","3330","10.1021/ja907023c","","","0.71073","MoKα","","0.037","0.0287","","","0.0646","0.0669","","","","","","1.047","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102042","23.1496","0.0007","23.1496","0.0007","23.1496","0.0007","90","","90","","90","","12406","0.6","123","2","123","2","","","","","","","","7","I m -3","-I 2 2 3","204","","","","- C144 H175 Co4 Mo36 N36 O165 P3 -","- C144 H132 Co4 Mo36 N36 O165 P3 -","- C288 H264 Co8 Mo72 N72 O330 P6 -","2","0.0416667","","Chunying Duan; Meilin Wei; Dong Guo; Cheng He; Qingjin Meng","Crystal Structures and Properties of Large Protonated Water Clusters Encapsulated by Metal-Organic Frameworks","Journal of the American Chemical Society","2010","132","","3321","3330","10.1021/ja907023c","","","0.71073","MoKα","","0.0776","0.0444","","","0.0636","0.0679","","","","","","1.062","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102043","23.1704","0.0011","23.1704","0.0011","23.1704","0.0011","90","","90","","90","","12439.4","1","123","2","123","2","","","","","","","","8","I m -3","-I 2 2 3","204","","","","- C144 H186 Co4 K Mo36 N36 O171 P3 -","- C144 H132 Co4 K1.04 Mo36 N36 O171.04 P3 -","- C288 H264 Co8 K2.08 Mo72 N72 O342.08 P6 -","2","0.0416667","","Chunying Duan; Meilin Wei; Dong Guo; Cheng He; Qingjin Meng","Crystal Structures and Properties of Large Protonated Water Clusters Encapsulated by Metal-Organic Frameworks","Journal of the American Chemical Society","2010","132","","3321","3330","10.1021/ja907023c","","","0.71073","MoKα","","0.0964","0.0497","","","0.0697","0.0753","","","","","","1.042","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102044","13.723","0.002","17.458","0.003","5.0756","0.0008","90","","90","","90","","1216","0.3","295","2","295","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C4.92 F0.82 N1.64 O48 Si24 -","- C4.8 F0.8 N1.6 O48 Si24 -","- C4.8 F0.8 N1.6 O48 Si24 -","1","0.125","","Claudio M. Zicovich-Wilson; Felipe Gándara; Angeles Monge; Miguel A. Camblor","In SituTransformation of TON Silica Zeolite into the Less Dense ITW: Structure-Direction Overcoming Framework Instability in the Synthesis of SiO2 Zeolites","Journal of the American Chemical Society","2010","132","","3461","3471","10.1021/ja9094318","","","0.71073","MoKα","","0.0789","0.0618","","","0.149","0.1572","","","","","","1.056","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102045","5.557","0.003","5.557","0.003","5.557","0.003","90","","90","","90","","171.6","0.16","100","","100","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- As0.5 Li0.5 Se -","- As0.5 Li0.5 Se -","- As2 Li2 Se4 -","4","0.0208333","","Tarun K. Bera; Joon I. Jang; Jung-Hwan Song; Christos D. Malliakas; Arthur J. Freeman; John B. Ketterson; Mercouri G. Kanatzidis","Soluble Semiconductors AAsSe2 (A = Li, Na) with a Direct-Band-Gap and Strong Second Harmonic Generation: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2010","132","","3484","3495","10.1021/ja9094846","","","0.71073","MoKα","","0.0401","0.0401","","","0.1007","0.1007","","","","","","1.388","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102046","12.2872","0.0014","5.5419","0.0007","5.5533","0.0006","90","","113.117","0.008","90","","347.79","0.07","100","","100","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- As Li Se2 -","- As Li Se2 -","- As4 Li4 Se8 -","4","1","","Tarun K. Bera; Joon I. Jang; Jung-Hwan Song; Christos D. Malliakas; Arthur J. Freeman; John B. Ketterson; Mercouri G. Kanatzidis","Soluble Semiconductors AAsSe2 (A = Li, Na) with a Direct-Band-Gap and Strong Second Harmonic Generation: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2010","132","","3484","3495","10.1021/ja9094846","","","0.71073","MoKα","","0.0283","0.0237","","","0.0465","0.0475","","","","","","1.099","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102047","11.682","0.002","5.9021","0.0007","11.8231","0.0019","90","","90.446","0.013","90","","815.2","0.2","100","","100","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- As Na Se2 -","- As Na Se2 -","- As8 Na8 Se16 -","8","4","","Tarun K. Bera; Joon I. Jang; Jung-Hwan Song; Christos D. Malliakas; Arthur J. Freeman; John B. Ketterson; Mercouri G. Kanatzidis","Soluble Semiconductors AAsSe2 (A = Li, Na) with a Direct-Band-Gap and Strong Second Harmonic Generation: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2010","132","","3484","3495","10.1021/ja9094846","","","0.71073","MoKα","","0.0653","0.0501","","","0.1169","0.1363","","","","","","1.13","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102048","5.55073","","5.58029","","5.57706","","92.72","","90.8322","","91.516","","172.471","","","","","","","","","","","","","3","P 1","P 1","1","","","","- As Li Se2 -","- As Li Se2 -","- As2 Li2 Se4 -","2","2","","Tarun K. Bera; Joon I. Jang; Jung-Hwan Song; Christos D. Malliakas; Arthur J. Freeman; John B. Ketterson; Mercouri G. Kanatzidis","Soluble Semiconductors AAsSe2 (A = Li, Na) with a Direct-Band-Gap and Strong Second Harmonic Generation: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2010","132","","3484","3495","10.1021/ja9094846","","","","","","","","","","","","","","","","","","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102049","5.7166","0.0006","13.6438","0.0014","15.1053","0.0015","90","","111.446","0.004","90","","1096.6","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- As Br F12 Kr2 O -","- As Br F12 Kr2 O -","- As4 Br4 F48 Kr8 O4 -","4","1","","David S. Brock; Jonathan J. Casalis de Pury; Hélène P. A. Mercier; Gary J. Schrobilgen; Bernard Silvi","A Rare Example of a Krypton Difluoride Coordination Compound: [BrOF2][AsF6].2KrF2","Journal of the American Chemical Society","2010","132","","3533","3542","10.1021/ja9098559","","","0.71073","MoKα","","0.086","0.0693","","","0.1671","0.1715","","","","","","1.629","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4102050","11.1675","0.001","12.1446","0.0011","13.048","0.001","105.494","0.002","104.912","0.002","108.973","0.002","1493.2","0.2","93.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H31 N2 O P -","- C39 H30 N2 O P -","- C78 H60 N4 O2 P2 -","2","1","","Yi-Jing Chen; Kazutaka Seki; Yasuhiro Yamashita; Shū Kobayashi","Catalytic Carbon-Carbon Bond-Forming Reactions of Aminoalkane Derivatives with Imines","Journal of the American Chemical Society","2010","132","","3244","3245","10.1021/ja909909q","","","0.71075","MoKα","","","0.0533","","","","0.0558","","","","","","4.785","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102051","27.2249","0.0011","27.2249","0.0011","27.2249","0.0011","90","","90","","90","","20179","1.4","293","2","293","2","","","","","","","","6","F -4 3 m","F -4 2 3","216","CIS-11","catena-(undeca(N,N-Dibutylamine) bis(tripentacontasulfido-hepta-copper-octaicosa-indium))","","- C88 H220 Cu7 In28 N11 S53 -","- Cu6.46 In28.54 N59.4 S53 -","- Cu25.84 In114.16 N237.6 S212 -","4","0.0416667","","Le Wang; Tao Wu; Fan Zuo; Xiang Zhao; Xianhui Bu; Jianzhong Wu; Pingyun Feng","Assembly of Supertetrahedral T5 Copper-Indium Sulfide Clusters into a Super-Supertetrahedron of Infinite Order","Journal of the American Chemical Society","2010","132","","3283","3285","10.1021/ja9100672","","","0.71073","MoKα","","0.1346","0.098","","","0.292","0.3683","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102052","10.2956","0.0019","13.561","0.003","19.581","0.004","98.865","0.003","99.28","0.003","107.251","0.003","2516.9","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H21 Fe N19 Ni2 O2 S8 -","- C39 H21 Fe N19 Ni2 O2 S8 -","- C78 H42 Fe2 N38 Ni4 O4 S16 -","2","1","","Masayuki Nihei; Hirotaka Tahira; Nobukazu Takahashi; Yusuke Otake; Yasuhisa Yamamura; Kazuya Saito; Hiroki Oshio","Multiple Bistability and Tristability with Dual Spin-State Conversions in [Fe(dpp)2][Ni(mnt)2]2.MeNO2","Journal of the American Chemical Society","2010","132","","3553","3560","10.1021/ja910122r","","","0.71073","MoKα","","0.0473","0.037","","","0.0877","0.0919","","","","","","0.949","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102053","9.468","0.002","14.068","0.003","20.122","0.004","99.947","0.003","99.118","0.003","105.503","0.004","2484","0.9","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H21 Fe N19 Ni2 O2 S8 -","- C39 H21 Fe N19 Ni2 O2 S8 -","- C78 H42 Fe2 N38 Ni4 O4 S16 -","2","1","","Masayuki Nihei; Hirotaka Tahira; Nobukazu Takahashi; Yusuke Otake; Yasuhisa Yamamura; Kazuya Saito; Hiroki Oshio","Multiple Bistability and Tristability with Dual Spin-State Conversions in [Fe(dpp)2][Ni(mnt)2]2.MeNO2","Journal of the American Chemical Society","2010","132","","3553","3560","10.1021/ja910122r","","","0.71073","MoKα","","0.0583","0.0411","","","0.0956","0.1031","","","","","","0.972","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102054","9.074","0.003","15.463","0.005","18.423","0.006","80.355","0.005","76.17","0.005","79.649","0.006","2448.1","1.4","205","2","205","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H21 Fe N19 Ni2 O2 S8 -","- C39 H21 Fe N19 Ni2 O2 S8 -","- C78 H42 Fe2 N38 Ni4 O4 S16 -","2","1","","Masayuki Nihei; Hirotaka Tahira; Nobukazu Takahashi; Yusuke Otake; Yasuhisa Yamamura; Kazuya Saito; Hiroki Oshio","Multiple Bistability and Tristability with Dual Spin-State Conversions in [Fe(dpp)2][Ni(mnt)2]2.MeNO2","Journal of the American Chemical Society","2010","132","","3553","3560","10.1021/ja910122r","","","0.71073","MoKα","","0.1209","0.0632","","","0.1374","0.1659","","","","","","1.028","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102055","10.384","0.002","13.594","0.003","19.583","0.004","98.371","0.004","99.279","0.004","106.424","0.004","2562.9","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H21 Fe N19 Ni2 O2 S8 -","- C39 H21 Fe N19 Ni2 O2 S8 -","- C78 H42 Fe2 N38 Ni4 O4 S16 -","2","1","","Masayuki Nihei; Hirotaka Tahira; Nobukazu Takahashi; Yusuke Otake; Yasuhisa Yamamura; Kazuya Saito; Hiroki Oshio","Multiple Bistability and Tristability with Dual Spin-State Conversions in [Fe(dpp)2][Ni(mnt)2]2.MeNO2","Journal of the American Chemical Society","2010","132","","3553","3560","10.1021/ja910122r","","","0.71073","MoKα","","0.1394","0.0609","","","0.118","0.1479","","","","","","0.905","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102056","18.397","0.009","19.306","0.009","21.597","0.01","97.65","0.01","95.067","0.009","104.091","0.008","7315","6","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H21 Fe N19 Ni2 O2 S8 -","- C39 H21 Fe N19 Ni2 O2 S8 -","- C234 H126 Fe6 N114 Ni12 O12 S48 -","6","3","","Masayuki Nihei; Hirotaka Tahira; Nobukazu Takahashi; Yusuke Otake; Yasuhisa Yamamura; Kazuya Saito; Hiroki Oshio","Multiple Bistability and Tristability with Dual Spin-State Conversions in [Fe(dpp)2][Ni(mnt)2]2.MeNO2","Journal of the American Chemical Society","2010","132","","3553","3560","10.1021/ja910122r","","","0.71073","MoKα","","0.161","0.085","","","0.2066","0.2548","","","","","","1.04","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102057","9.904","0.0008","21.441","0.003","21.8567","0.0018","90","","90","","90","","4641.3","0.8","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C82 H29 N O2 -","- C82 H29 N O2 -","- C328 H116 N4 O8 -","4","1","","Stéphane Campidelli; Philippe Bourgun; Boris Guintchin; Julien Furrer; Helen Stoeckli-Evans; Isabel M. Saez; John W. Goodby; Robert Deschenaux","Diastereoisomerically Pure Fulleropyrrolidines as Chiral Platforms for the Design of Optically Active Liquid Crystals","Journal of the American Chemical Society","2010","132","","3574","3581","10.1021/ja910128e","","","0.71073","MoKα","","0.1443","0.0727","","","0.1065","0.1273","","","","","","0.971","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102058","14.138","0.003","14.224","0.003","27.716","0.006","104.253","0.004","94.05","0.004","91.825","0.004","5382","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(u-N)(U(N[t-Bu][3,5-Me2C6H3])3)2][B(3,5-(CF3)2C6H3)4]","","- C108 H128 B F24 N7 O U2 -","- C108 H128 B F24 N7 O U2 -","- C216 H256 B2 F48 N14 O2 U4 -","2","1","","Alexander R. Fox; Polly L. Arnold; Christopher C. Cummins","Uranium-Nitrogen Multiple Bonding: Isostructural Anionic, Neutral, and Cationic Uranium Nitride Complexes Featuring a Linear U=N=U Core","Journal of the American Chemical Society","2010","132","","3250","3251","10.1021/ja910364u","","x-ray","0.71073","MoKα","","0.0789","0.0401","","","0.0754","0.088","","","","","","1.021","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102059","19.0179","0.0009","21.6348","0.001","23.6014","0.0011","90","","94.932","0.001","90","","9674.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[N(n-Bu)4][(u-N)(U(N[t-Bu][3,5-Me2C6H3])3)2]","","","- C96 H164 N8 O2 U2 -","- C96 H164 N8 O2 U2 -","- C384 H656 N32 O8 U8 -","4","1","","Alexander R. Fox; Polly L. Arnold; Christopher C. Cummins","Uranium-Nitrogen Multiple Bonding: Isostructural Anionic, Neutral, and Cationic Uranium Nitride Complexes Featuring a Linear U=N=U Core","Journal of the American Chemical Society","2010","132","","3250","3251","10.1021/ja910364u","","","0.71073","MoKα","","0.1054","0.0418","","","0.074","0.0921","","","","","","1.019","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102060","11.9403","0.0008","13.8787","0.0009","13.8923","0.0016","111.12","0.001","101.095","0.002","105.745","0.001","1956","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(u-N)(U(N[t-Bu][3,5-Me2C6H3]3)2","","","- C76 H118 N7 O U2 -","- C76 H118 N7 O U2 -","- C76 H118 N7 O U2 -","1","0.5","","Alexander R. Fox; Polly L. Arnold; Christopher C. Cummins","Uranium-Nitrogen Multiple Bonding: Isostructural Anionic, Neutral, and Cationic Uranium Nitride Complexes Featuring a Linear U=N=U Core","Journal of the American Chemical Society","2010","132","","3250","3251","10.1021/ja910364u","","","0.71073","MoKα","","0.0438","0.0323","","","0.0748","0.0798","","","","","","1.039","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102061","16.0499","0.0016","6.9437","0.0007","16.4241","0.0016","90","","115.326","0.002","90","","1654.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl2 N2 O -","- C18 H18 Cl2 N2 O -","- C72 H72 Cl8 N8 O4 -","4","1","","Benjamin J. Coe; John Fielden; Simon P. Foxon; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Anna Samoc; Marek Samoc","Combining Very Large Quadratic and cubic Nonlinear Optical Responses in Extended, Tris-Chelate Metallochromophores with Six π-Conjugated Pyridinium Substituents","Journal of the American Chemical Society","2010","132","","3496","3513","10.1021/ja910538s","","","0.71073","MoKα","","0.0614","0.0476","","","0.1372","0.1433","","","","","","1.361","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102062","9.1252","0.0013","17.637","0.002","13.683","0.002","90","","109.478","0.005","90","","2076.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 F12 N6 O2 P2 -","- C42 H42 F12 N6 O2 P2 -","- C84 H84 F24 N12 O4 P4 -","2","0.5","","Benjamin J. Coe; John Fielden; Simon P. Foxon; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Anna Samoc; Marek Samoc","Combining Very Large Quadratic and cubic Nonlinear Optical Responses in Extended, Tris-Chelate Metallochromophores with Six π-Conjugated Pyridinium Substituents","Journal of the American Chemical Society","2010","132","","3496","3513","10.1021/ja910538s","","","0.71073","MoKα","","0.0802","0.0561","","","0.1595","0.1736","","","","","","1.123","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102063","7.2949","0.0004","18.2726","0.001","10.1245","0.0006","90","","94.891","0.001","90","","1344.65","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O11 S -","- C32 H12 Cu8 O44 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0394","0.0371","","","0.111","0.1129","","","","","","1.046","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102064","7.3033","0.0011","18.261","0.003","10.1272","0.0015","90","","94.841","0.002","90","","1345.8","0.4","165","2","165","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O11 S -","- C32 H12 Cu8 O44 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0421","0.0397","","","0.1289","0.1322","","","","","","1.014","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102065","7.3206","0.0004","18.2483","0.0011","10.1331","0.0006","90","","94.681","0.001","90","","1349.15","0.14","195","2","195","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O11 S -","- C32 H12 Cu8 O44 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0503","0.0476","","","0.153","0.1547","","","","","","1.166","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102066","7.31","0.005","18.28","0.011","10.145","0.006","90","","94.645","0.008","90","","1351.2","1.5","210","2","210","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O11 S -","- C32 H12 Cu8 O44 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.77749","synchrotron","","0.0467","0.0432","","","0.1415","0.1452","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102067","7.355","0.004","18.215","0.009","10.152","0.005","90","","94.502","0.006","90","","1355.9","1.2","225","2","225","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O11 S -","- C32 H12 Cu8 O44 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0492","0.0455","","","0.1487","0.1512","","","","","","1.116","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102069","7.3378","0.001","18.201","0.003","10.1447","0.0014","90","","94.393","0.002","90","","1350.9","0.3","255","2","255","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O11 S -","- C32 H12 Cu8 O44 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.054","0.0495","","","0.1551","0.1581","","","","","","1.144","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102070","7.3413","0.0008","18.175","0.002","10.1557","0.0011","90","","94.32","0.002","90","","1351.2","0.3","270","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O11 S -","- C32 H12 Cu8 O44 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0488","0.0439","","","0.1388","0.1428","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102071","7.356","0.002","18.208","0.004","10.167","0.002","90","","94.277","0.014","90","","1358","0.5","285","2","285","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O11 S -","- C32 H12 Cu8 O44 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0695","0.057","","","0.165","0.1722","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102072","7.3333","0.0014","18.153","0.003","10.1729","0.0019","90","","94.379","0.004","90","","1350.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O11 S -","- C32 H12 Cu8 O44 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","Synchrotron","","0.1434","0.0765","","","0.1839","0.2013","","","","","","1.21","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102073","7.306","0.003","18.111","0.008","10.205","0.004","90","","94.248","0.007","90","","1346.6","1","330","2","330","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O10.578 S -","- C32 H12 Cu8 O42.312 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0766","0.0509","","","0.138","0.1497","","","","","","0.856","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102074","7.3333","0.0014","18.153","0.003","10.1729","0.0019","90","","94.379","0.004","90","","1350.3","0.4","305","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O10.715 S -","- C32 H12 Cu8 O42.86 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0644","0.0556","","","0.16","0.1662","","","","","","1.186","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102075","7.3354","0.0019","18.14","0.004","10.179","0.003","90","","94.337","0.004","90","","1350.6","0.6","310","2","310","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O10.676 S -","- C32 H12 Cu8 O42.704 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0638","0.0502","","","0.1482","0.1572","","","","","","1.044","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102076","7.3354","0.0019","18.14","0.004","10.179","0.003","90","","94.337","0.004","90","","1350.6","0.6","325","2","325","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H3 Cu2 O10.72 S -","- C8 H3 Cu2 O10.717 S -","- C32 H12 Cu8 O42.868 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0645","0.0507","","","0.151","0.16","","","","","","1.063","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102077","7.301","0.008","18.032","0.019","10.133","0.011","90","","94.307","0.018","90","","1330","2","320","2","320","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O10.66 S -","- C32 H12 Cu8 O42.64 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0862","0.0605","","","0.1652","0.1896","","","","","","1.094","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102078","7.301","0.007","18.048","0.016","10.21","0.009","90","","94.334","0.014","90","","1342","2","325","2","325","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O10.59 S -","- C32 H12 Cu8 O42.36 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0955","0.0616","","","0.1696","0.2019","","","","","","1.145","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102079","7.306","0.003","18.111","0.008","10.205","0.004","90","","94.248","0.007","90","","1346.6","1","330","2","330","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H Cu2 O11 S -","- C8 H3 Cu2 O11 S -","- C32 H12 Cu8 O44 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.078","0.0522","","","0.142","0.1536","","","","","","0.878","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102080","7.315","0.007","18.168","0.015","10.219","0.009","90","","94.163","0.015","90","","1355","2","335","2","335","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O10.58 S -","- C32 H12 Cu8 O42.32 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.1092","0.0627","","","0.1677","0.1974","","","","","","1.014","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102081","7.302","0.013","18.15","0.03","10.267","0.018","90","","94.01","0.03","90","","1357","4","340","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O10.43 S -","- C32 H12 Cu8 O41.72 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.2036","0.1235","","","0.3049","0.3754","","","","","","1.958","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102082","7.271","0.004","18.061","0.01","10.212","0.006","90","","94.234","0.01","90","","1337.4","1.3","345","2","345","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O10.312 S -","- C32 H12 Cu8 O41.248 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0935","0.0554","","","0.1442","0.1609","","","","","","0.934","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102083","7.283","0.003","18.119","0.009","10.262","0.005","90","","94.119","0.008","90","","1350.7","1.1","355","2","355","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O10.34 S -","- C32 H12 Cu8 O41.36 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.089","0.0531","","","0.145","0.1576","","","","","","0.941","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102084","7.252","0.008","18.068","0.019","10.23","0.01","90","","94.216","0.016","90","","1337","2","360","2","360","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O10.33 S -","- C32 H12 Cu8 O41.32 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.1008","0.0628","","","0.158","0.1736","","","","","","1.009","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102085","13.814","0.005","19.437","0.01","12.067","0.006","90","","139.21","0.02","90","","2116.7","1.9","435","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H6 Cu4 O16 S2 -","- C8 H3 Cu2 O8 S -","- C64 H24 Cu16 O64 S8 -","8","2","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0883","0.049","","","0.1253","0.1569","","","","","","0.889","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102086","13.796","0.002","19.43","0.004","12.057","0.003","90","","139.172","0.01","90","","2113","0.9","445","2","445","2","101.31","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H6 Cu4 O16 S4 -","- C8 H3 Cu2 O8 S -","- C64 H24 Cu16 O64 S8 -","8","2","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0769","0.0478","","","0.1223","0.1486","","","","","","0.873","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102087","6.265","0.002","9.606","0.003","15.868","0.005","90","","93.66","0.006","90","","953","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 B N -","- C8 H20 B N -","- C32 H80 B4 N4 -","4","1","","Patrick G. Campbell; Lev N. Zakharov; Daniel J. Grant; David A. Dixon; Shih-Yuan Liu","Hydrogen Storage by Boron-Nitrogen Heterocycles: A Simple Route for Spent Fuel Regeneration","Journal of the American Chemical Society","2010","132","","3289","3291","10.1021/ja9106622","","","0.71073","MoKα","","0.0561","0.0447","","","0.1118","0.1224","","","","","","1.038","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102088","9.883","0.005","11.83","0.006","22.453","0.01","90","","92.087","0.008","90","","2623","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H43 B K N O6 -","- C20 H43 B K N O6 -","- C80 H172 B4 K4 N4 O24 -","4","1","","Patrick G. Campbell; Lev N. Zakharov; Daniel J. Grant; David A. Dixon; Shih-Yuan Liu","Hydrogen Storage by Boron-Nitrogen Heterocycles: A Simple Route for Spent Fuel Regeneration","Journal of the American Chemical Society","2010","132","","3289","3291","10.1021/ja9106622","","","0.71073","MoKα","","0.117","0.0687","","","0.1669","0.1993","","","","","","1.022","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102089","18.934","0.004","27.616","0.006","20.473","0.005","90","","90","","90","","10705","4","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58 H66 Cl4 N4 Pd -","- C58 H66 Cl4 N4 Pd -","- C464 H528 Cl32 N32 Pd8 -","8","1","","Yasunao Miyamura; Kazushi Kinbara; Yohei Yamamoto; Vakayil K. Praveen; Kenichi Kato; Masaki Takata; Atsushi Takano; Yushu Matsushita; Eunji Lee; Myongsoo Lee; Takuzo Aida","Shape-Directed Assembly of a ""Macromolecular Barb"" into Nanofibers: Stereospecific Cyclopolymerization of Isopropylidene Diallylmalonate","Journal of the American Chemical Society","2010","132","","3292","3294","10.1021/ja910901e","","","0.7107","MoKα","","0.0742","0.0642","","","0.1104","0.1134","","","","","","1.295","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102090","34.304","0.003","19.0827","0.0015","16.479","0.0013","90","","112.102","0.001","90","","9994.7","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C97 H162 N2 P6 Sc2 -","- C97 H162 N2 P6 Sc2 -","- C388 H648 N8 P24 Sc8 -","4","0.5","","Benjamin F. Wicker; Jennifer Scott; José G. Andino; Xinfeng Gao; Hyunsoo Park; Maren Pink; Daniel J. Mindiola","Phosphinidene Complexes of Scandium: Powerful PAr Group-Transfer Vehicles to Organic and Inorganic Substrates","Journal of the American Chemical Society","2010","132","","3691","3693","10.1021/ja100214e","","","0.71073","MoKα","","0.0807","0.0523","","","0.1429","0.1749","","","","","","1.13","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4102091","12.396","0.005","14.179","0.006","15.666","0.006","95.417","0.006","93.967","0.007","93.815","0.007","2727.2","1.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H77 Br Li N P3 Sc -","- C55 H77 Br Li N P3 Sc -","- C110 H154 Br2 Li2 N2 P6 Sc2 -","2","1","","Benjamin F. Wicker; Jennifer Scott; José G. Andino; Xinfeng Gao; Hyunsoo Park; Maren Pink; Daniel J. Mindiola","Phosphinidene Complexes of Scandium: Powerful PAr Group-Transfer Vehicles to Organic and Inorganic Substrates","Journal of the American Chemical Society","2010","132","","3691","3693","10.1021/ja100214e","","","0.71073","MoKα","","0.1213","0.072","","","0.1889","0.2167","","","","","","1.066","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4102092","11.8898","0.0012","21.318","0.003","22.944","0.003","90","","90","","90","","5815.5","1.3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H80 Br Li N O2.5 P3 Sc -","- C56 H80 Br Li N O2.5 P3 Sc -","- C224 H320 Br4 Li4 N4 O10 P12 Sc4 -","4","1","","Benjamin F. Wicker; Jennifer Scott; José G. Andino; Xinfeng Gao; Hyunsoo Park; Maren Pink; Daniel J. Mindiola","Phosphinidene Complexes of Scandium: Powerful PAr Group-Transfer Vehicles to Organic and Inorganic Substrates","Journal of the American Chemical Society","2010","132","","3691","3693","10.1021/ja100214e","","x-ray","0.71073","MoKα","","0.0795","0.0567","","","0.1377","0.151","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102093","9.7154","0.0004","11.6798","0.0005","14.9702","0.0006","97.349","0.001","107.577","0.001","110.254","0.001","1467.07","0.11","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H35 P -","- C37 H35 P -","- C74 H70 P2 -","2","1","","Benjamin F. Wicker; Jennifer Scott; José G. Andino; Xinfeng Gao; Hyunsoo Park; Maren Pink; Daniel J. Mindiola","Phosphinidene Complexes of Scandium: Powerful PAr Group-Transfer Vehicles to Organic and Inorganic Substrates","Journal of the American Chemical Society","2010","132","","3691","3693","10.1021/ja100214e","","x-ray","0.71073","MoKα","","0.0546","0.0458","","","0.1249","0.1332","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102094","10.7145","0.0003","7.1225","0.0003","12.4937","0.0003","90","","109.575","0.0017","90","","898.34","0.05","103.1","","103.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 Br N2 O5 -","- C17 H19 Br N2 O5 -","- C34 H38 Br2 N4 O10 -","2","1","","Nicholas E. Shepherd; Hirooki Tanabe; Yingjie Xu; Shigeki Matsunaga; Masakatsu Shibasaki","Direct Catalytic Asymmetric Vinylogous Mannich-Type and Michael Reactions of an α,β-Unsaturated γ-Butyrolactam under Dinuclear Nickel Catalysis","Journal of the American Chemical Society","2010","132","","3666","3667","10.1021/ja1002636","","","1.54187","CuKα","","","0.0389","","","","0.079","","","","","","0.912","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102095","9.795","0.003","10.039","0.003","10.579","0.003","104.965","0.004","103.246","0.005","117.219","0.004","817.4","0.4","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C39 H32 Cu I O P2 -","- C39 H32 Cu I O P2 -","- C39 H32 Cu I O P2 -","1","1","","Jinkun Huang; Johann Chan; Ying Chen; Christopher J. Borths; Kyle D. Baucom; Robert D. Larsen; Margaret M. Faul","A Highly Efficient Palladium/Copper Cocatalytic System for Direct Arylation of Heteroarenes: An Unexpected Effect of Cu(Xantphos)I","Journal of the American Chemical Society","2010","132","","3674","3675","10.1021/ja100354j","","x-ray","0.71073","MoKα","","0.0311","0.0296","","","0.075","0.0763","","","","","","1.075","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102096","10.5819","0.0001","21.4447","0.0002","19.0361","0.0002","90","","96.936","0.001","90","","4288.17","0.07","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C47 H39 Cl2 Cu I N O P2 S -","- C47 H39 Cl2 Cu I N O P2 S -","- C188 H156 Cl8 Cu4 I4 N4 O4 P8 S4 -","4","1","","Jinkun Huang; Johann Chan; Ying Chen; Christopher J. Borths; Kyle D. Baucom; Robert D. Larsen; Margaret M. Faul","A Highly Efficient Palladium/Copper Cocatalytic System for Direct Arylation of Heteroarenes: An Unexpected Effect of Cu(Xantphos)I","Journal of the American Chemical Society","2010","132","","3674","3675","10.1021/ja100354j","","x-ray","1.54178","CuKα","","0.047","0.0448","","","0.1203","0.1216","","","","","","1.117","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102097","13.5197","0.0017","14.684","0.0018","17.417","0.002","85.975","0.003","73.27","0.002","84.93","0.002","3294.7","0.7","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H80 F5 N O2 P2 Pd -","- C58 H80 F5 N O2 P2 Pd -","- C116 H160 F10 N2 O4 P4 Pd2 -","2","1","","Yichen Tan; John F. Hartwig","Palladium-Catalyzed Amination of Aromatic C-H Bonds with Oxime Esters","Journal of the American Chemical Society","2010","132","","3676","3677","10.1021/ja100676r","","","0.71073","MoKα","","0.1028","0.0591","","","0.1476","0.1672","","","","","","0.886","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102098","7.4228","0.0014","8.1929","0.0018","14.838","0.004","104.299","0.018","100.577","0.018","95.938","0.017","849","0.4","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","Tetra-potassium-aqua-ethanol-3,4,9,10-perylene-tetracarboxylate ethanol solvate'","","- C16 H12 K2 O7 -","- C16 H12 K2 O7 -","- C32 H24 K4 O14 -","2","1","","Minghua Huang; Uwe Schilde; Michael Kumke; Markus Antonietti; Helmut Cölfen","Polymer-Induced Self-Assembly of Small Organic Molecules into Ultralong Microbelts with Electronic Conductivity","Journal of the American Chemical Society","2010","132","","3700","3707","10.1021/ja906667x","","","0.71073","MoKα","","0.0432","0.0359","","","0.099","0.1034","","","","","","1.029","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102099","12.72","0.002","12.902","0.002","22.267","0.004","85.756","0.008","83.34","0.007","63.273","0.007","3240.9","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Na(222)[Fe(TPP)Cl]","","","- C65 H70 Cl7 Fe N6 Na O6 -","- C65 H70 Cl7 Fe N6 Na O6 -","- C130 H140 Cl14 Fe2 N12 Na2 O12 -","2","1","","Chuanjiang Hu; Corinne D. Sulok; Florian Paulat; Nicolai Lehnert; Anna I. Twigg; Michael P. Hendrich; Charles E. Schulz; W. Robert Scheidt","Just a Proton: Distinguishing the Two Electronic States of Five-Coordinate High-Spin Iron(II) Porphyrinates with Imidazole/ate Coordination","Journal of the American Chemical Society","2010","132","","3737","3750","10.1021/ja907584x","","","0.71073","MoKα","","0.0447","0.0383","","","0.1032","0.119","","","","","","1.044","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102100","17.8096","0.0018","9.5907","0.001","12.3463","0.0013","90","","127.541","0.002","90","","1672.1","0.3","298","","298","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C32 H24 N2 O8 Rh2 -","- C32 H24 N2 O8 Rh2 -","- C64 H48 N4 O16 Rh4 -","2","0.25","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0478","0.039","","","0.094","0.0982","","","","","","1.103","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102101","17.713","0.011","9.623","0.006","19.575","0.012","90","","98.249","0.01","90","","3302","4","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 N2 O8 Rh2 -","- C32 H24 N2 O8 Rh2 -","- C128 H96 N8 O32 Rh8 -","4","0.5","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0728","0.0564","","","0.1374","0.147","","","","","","1.049","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102102","9.541","0.002","10.3","0.002","11.038","0.002","70.192","0.004","66.179","0.004","63.002","0.004","867.9","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H24 N2 O14 Rh2 -","- C35 H24 N2 O14 Rh2 -","- C35 H24 N2 O14 Rh2 -","1","0.5","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0621","0.0547","","","0.1433","0.1488","","","","","","1.047","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102103","17.998","0.016","9.697","0.008","18.903","0.017","90","","97.339","0.018","90","","3272","5","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cu2 N2 O8 -","- C32 H24 Cu2 N2 O8 -","- C128 H96 Cu8 N8 O32 -","4","0.5","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.094","0.0654","","","0.155","0.1704","","","","","","1.058","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102104","17.485","0.003","9.6876","0.0019","19.213","0.004","90","","98.432","0.004","90","","3219.3","1.1","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cu2 N2 O8 -","- C32 H24 Cu2 N2 O8 -","- C128 H96 Cu8 N8 O32 -","4","0.5","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0827","0.0589","","","0.1342","0.1462","","","","","","1.034","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102105","9.6214","0.0015","10.2423","0.0016","10.9393","0.0017","70.584","0.003","66.008","0.003","63.084","0.003","863.5","0.2","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H24 Cu2 N2 O14 -","- C35 H24 Cu2 N2 O14 -","- C35 H24 Cu2 N2 O14 -","1","0.5","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0648","0.0575","","","0.162","0.1655","","","","","","1.185","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102106","10.463","0.003","10.502","0.003","15.753","0.005","79.896","0.007","80.852","0.007","87.276","0.007","1682.1","0.9","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 N2 O8 Rh2 -","- C33 H25 N2 O8 Rh2 -","- C66 H50 N4 O16 Rh4 -","2","1","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0804","0.054","","","0.1236","0.1392","","","","","","1.03","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102107","10.2076","0.0009","10.4184","0.001","15.7516","0.0015","79.434","0.002","81.217","0.002","86.212","0.002","1626.2","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 N2 O8 Rh2 -","- C33 H25 N2 O8 Rh2 -","- C66 H50 N4 O16 Rh4 -","2","1","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0744","0.055","","","0.1294","0.1463","","","","","","1.127","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102108","9.6162","0.0016","10.4953","0.0018","11.1475","0.0019","68.8","0.003","65.939","0.003","62.968","0.003","893.3","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N2 O14 Rh2 -","- C36 H23 N2 O14 Rh2 -","- C36 H23 N2 O14 Rh2 -","1","0.5","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0853","0.0656","","","0.1623","0.1852","","","","","","1.199","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102109","10.401","0.004","10.481","0.004","15.71","0.005","80.792","0.008","82.183","0.007","87.447","0.007","1674.4","1.1","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 Cu2 N2 O8 -","- C33 H25 Cu2 N2 O8 -","- C66 H50 Cu4 N4 O16 -","2","1","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.1004","0.0697","","","0.1637","0.1792","","","","","","1.077","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102110","10.213","0.004","10.386","0.004","15.673","0.006","80.728","0.008","82.581","0.008","86.601","0.008","1625.8","1.1","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 Cu2 N2 O8 -","- C33 H25 Cu2 N2 O8 -","- C66 H50 Cu4 N4 O16 -","2","1","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.1368","0.0929","","","0.2019","0.2351","","","","","","1.091","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102111","9.748","0.006","10.547","0.007","11.23","0.011","67.951","0.007","64.28","","62.47","","900.1","1.2","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 Cu2 N2 O14 -","- C36 H23 Cu2 N2 O14 -","- C36 H23 Cu2 N2 O14 -","1","0.5","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.1614","0.113","","","0.2907","0.3269","","","","","","1.081","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102112","10.504","0.003","10.523","0.003","15.784","0.005","80.233","0.006","80.818","0.006","88.595","0.007","1697.3","0.9","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 N2 O8 Rh2 -","- C34 H28 N2 O8 Rh2 -","- C68 H56 N4 O16 Rh4 -","2","1","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0476","0.0361","","","0.0749","0.084","","","","","","1.076","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102113","10.2633","0.0005","10.4611","0.0005","15.7171","0.0007","79.853","0.001","81.04","0.001","87.363","0.001","1640.51","0.13","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 N2 O8 Rh2 -","- C34 H28 N2 O8 Rh2 -","- C68 H56 N4 O16 Rh4 -","2","1","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0323","0.0269","","","0.0588","0.0632","","","","","","1.039","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102114","10.317","0.0011","10.4309","0.0011","15.674","0.0016","80.248","0.002","81.189","0.002","87.87","0.002","1642.7","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C34.4 H28 N2 O8.79 Rh2 -","- C34.491 H28 N2 O8.982 Rh2 -","- C68.982 H56 N4 O17.964 Rh4 -","2","1","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0939","0.0468","","","0.0994","0.1373","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102115","10.453","0.003","10.896","0.004","15.659","0.005","98.748","0.007","99.36","0.007","90.288","0.007","1738.5","1","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 N2 O12 Rh2 -","- C36 H28 N2 O12 Rh2 -","- C72 H56 N4 O24 Rh4 -","2","1","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.1706","0.1037","","","0.2456","0.2757","","","","","","0.952","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102116","10.484","0.003","10.515","0.003","15.681","0.005","81.244","0.006","82.174","0.006","88.84","0.007","1692.6","0.9","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cu2 N2 O8 -","- C34 H28 Cu2 N2 O8 -","- C68 H56 Cu4 N4 O16 -","2","1","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0904","0.0627","","","0.1331","0.1495","","","","","","1.123","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102117","10.2611","0.0006","10.4184","0.0006","15.6335","0.0009","81.141","0.001","82.302","0.001","87.722","0.001","1636.16","0.16","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cu2 N2 O8 -","- C34 H28 Cu2 N2 O8 -","- C68 H56 Cu4 N4 O16 -","2","1","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.053","0.0432","","","0.0963","0.1049","","","","","","1.137","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102118","10.5149","0.001","10.3425","0.001","15.5194","0.0015","82.721","0.002","82.702","0.002","89.957","0.002","1660.4","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C34.65 H28 Cu2 N2 O9.29 -","- C34.645 H28 Cu2 N2 O9.29 -","- C69.29 H56 Cu4 N4 O18.58 -","2","1","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.1213","0.0633","","","0.1317","0.1563","","","","","","0.986","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102119","10.0089","0.0003","13.3937","0.0004","21.0503","0.0007","90","","99.197","0.003","90","","2785.65","0.15","193","2","193","2","","","","","","","chemical synthesis","7","P 1 21/n 1","-P 2yn","14","TF04054","(Benzo[h]quinolinato){(2-nitrophenyl-sulfonyl)[(2-(pyridine-2-yl)phenyl] amido}-difluoropalladium(IV) Acetonitrile Solvate","","- C32 H23 F2 N5 O4 Pd S -","- C32 H23 F2 N5 O4 Pd S -","- C128 H92 F8 N20 O16 Pd4 S4 -","4","1","","Takeru Furuya; Diego Benitez; Ekaterina Tkatchouk; Alexandra E. Strom; Pingping Tang; William A. Goddard; Tobias Ritter","Mechanism of C-F Reductive Elimination from Palladium(IV) Fluorides","Journal of the American Chemical Society","2010","132","","3793","3807","10.1021/ja909371t","","","0.71073","MoKα","","0.0728","0.0383","","","0.0703","0.0829","","","","","","1.042","","","","has coordinates,has disorder","178767","2020-10-21","18:00:00",""
"4102120","15.2325","0.0005","11.9436","0.0004","13.976","0.0005","90","","101.975","0.001","90","","2487.33","0.15","193","2","193","2","","","","","","","chemical synthesis","8","P 1 21/c 1","-P 2ybc","14","TPP-I-114","[(2-Nitrophenylsulfonyl)(2-(pyridine-2-yl)phenyl)amido](pyridine) palladium(II) Fluoride Dichloromethane Solvate","","- C23 H19 Cl2 F N4 O4 Pd S -","- C23 H19 Cl2 F N4 O4 Pd S -","- C92 H76 Cl8 F4 N16 O16 Pd4 S4 -","4","1","","Takeru Furuya; Diego Benitez; Ekaterina Tkatchouk; Alexandra E. Strom; Pingping Tang; William A. Goddard; Tobias Ritter","Mechanism of C-F Reductive Elimination from Palladium(IV) Fluorides","Journal of the American Chemical Society","2010","132","","3793","3807","10.1021/ja909371t","","","0.71073","MoKα","","0.0347","0.0257","","","0.0625","0.0674","","","","","","1.048","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102121","8.8778","0.0015","11.951","0.002","18.68","0.003","90","","90","","90","","1981.9","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","estrone derivative 11c","","","- C23 H28 O4 -","- C23 H28 O4 -","- C92 H112 O16 -","4","1","","Christoph Schotes; Antonio Mezzetti","Asymmetric Diels-Alder Reactions of Unsaturated β-Ketoesters Catalyzed by Chiral Ruthenium PNNP Complexes","Journal of the American Chemical Society","2010","132","","3652","3653","10.1021/ja910039e","","","0.71073","MoKα","","0.0673","0.0457","","","0.0731","0.078","","","","","","0.819","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102122","11.511","0.0007","13.8903","0.0008","20.6616","0.0012","96.886","0.001","93.755","0.001","113.085","0.001","2994.2","0.3","200","2","200","2","","","","","","","","8","P -1","-P 1","2","[Ru(3a)(PNNP)](PF6)2","","","- C56 H58 Cl4 F12 N2 O3 P4 Ru -","- C56 H58 Cl4 F12 N2 O3 P4 Ru -","- C112 H116 Cl8 F24 N4 O6 P8 Ru2 -","2","1","","Christoph Schotes; Antonio Mezzetti","Asymmetric Diels-Alder Reactions of Unsaturated β-Ketoesters Catalyzed by Chiral Ruthenium PNNP Complexes","Journal of the American Chemical Society","2010","132","","3652","3653","10.1021/ja910039e","","","0.71073","MoKα","","0.0559","0.0504","","","0.129","0.1337","","","","","","1.021","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102123","7.6079","0.0014","10.0378","0.0018","10.3899","0.0019","68.164","0.003","83.564","0.003","83.013","0.003","729.1","0.2","100","2","100","2","","","","","","","","3","P 1","P 1","1","Camphanic Acid Ester ent-14","","","- C33 H42 O7 -","- C33 H42 O7 -","- C33 H42 O7 -","1","1","","Christoph Schotes; Antonio Mezzetti","Asymmetric Diels-Alder Reactions of Unsaturated β-Ketoesters Catalyzed by Chiral Ruthenium PNNP Complexes","Journal of the American Chemical Society","2010","132","","3652","3653","10.1021/ja910039e","","","0.71073","MoKα","","0.0395","0.0384","","","0.0992","0.1002","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102124","12.2734","0.0015","7.0211","0.0009","13.0651","0.0017","90","","108.615","0.003","90","","1067","0.2","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","Camphanic Acid Ester ent-16","","","- C23 H32 O6 -","- C23 H32 O6 -","- C46 H64 O12 -","2","1","","Christoph Schotes; Antonio Mezzetti","Asymmetric Diels-Alder Reactions of Unsaturated β-Ketoesters Catalyzed by Chiral Ruthenium PNNP Complexes","Journal of the American Chemical Society","2010","132","","3652","3653","10.1021/ja910039e","","","0.71073","MoKα","","0.0638","0.0461","","","0.0988","0.1203","","","","","","0.943","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102125","6.289","0.003","16.277","0.007","20.105","0.009","90","","98.535","0.008","90","","2035.3","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 O3 S -","- C22 H20 N2 O3 S -","- C88 H80 N8 O12 S4 -","4","1","","Bo Qian; Shengmei Guo; Jianping Shao; Qiming Zhu; Lei Yang; Chungu Xia; Hanmin Huang","Palladium-Catalyzed Benzylic Addition of 2-Methyl Azaarenes to N-Sulfonyl Aldimines via C-H Bond Activation","Journal of the American Chemical Society","2010","132","","3650","3651","10.1021/ja910104n","","","0.71073","MoKα","","0.1412","0.0584","","","0.117","0.1475","","","","","","1.008","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102126","8.4123","0.0006","8.5007","0.0006","8.5524","0.0006","90.341","0.004","118.496","0.003","116.53","0.003","461.86","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 N2 O4 Pd -","- C18 H24 N2 O4 Pd -","- C18 H24 N2 O4 Pd -","1","0.5","","Bo Qian; Shengmei Guo; Jianping Shao; Qiming Zhu; Lei Yang; Chungu Xia; Hanmin Huang","Palladium-Catalyzed Benzylic Addition of 2-Methyl Azaarenes to N-Sulfonyl Aldimines via C-H Bond Activation","Journal of the American Chemical Society","2010","132","","3650","3651","10.1021/ja910104n","","","0.71073","MoKα","","0.0293","0.0286","","","0.0778","0.0784","","","","","","1.003","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102127","7.7112","0.0013","8.0808","0.0007","8.0888","0.0008","117.461","0.004","113.466","0.005","93.565","0.005","391.1","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cl2 N2 Pd -","- C14 H18 Cl2 N2 Pd -","- C14 H18 Cl2 N2 Pd -","1","0.5","","Bo Qian; Shengmei Guo; Jianping Shao; Qiming Zhu; Lei Yang; Chungu Xia; Hanmin Huang","Palladium-Catalyzed Benzylic Addition of 2-Methyl Azaarenes to N-Sulfonyl Aldimines via C-H Bond Activation","Journal of the American Chemical Society","2010","132","","3650","3651","10.1021/ja910104n","","","0.71073","MoKα","","0.0226","0.0224","","","0.0596","0.0598","","","","","","1.072","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102128","10.209","0.003","13.82","0.004","14.469","0.004","90","","101.249","0.005","90","","2002.2","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O2 S -","- C24 H22 N2 O2 S -","- C96 H88 N8 O8 S4 -","4","1","","Bo Qian; Shengmei Guo; Jianping Shao; Qiming Zhu; Lei Yang; Chungu Xia; Hanmin Huang","Palladium-Catalyzed Benzylic Addition of 2-Methyl Azaarenes to N-Sulfonyl Aldimines via C-H Bond Activation","Journal of the American Chemical Society","2010","132","","3650","3651","10.1021/ja910104n","","","0.71073","MoKα","","0.1141","0.0569","","","0.1263","0.1582","","","","","","0.972","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102129","20.083","0.003","22.576","0.004","34.101","0.006","81.279","0.009","88.262","0.009","82.512","0.009","15151","4","173","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C390 H515 Cd28 N42 O128 -","- C390 H531 Cd28 N42 O128 -","- C390 H531 Cd28 N42 O128 -","1","0.5","","Peter D. Frischmann; Glenn A. Facey; Phuong Y. Ghi; Amanda J. Gallant; David L. Bryce; Francesco Lelj; Mark J. MacLachlan","Capsule Formation, Carboxylate Exchange, and DFT Exploration of Cadmium Cluster Metallocavitands: Highly Dynamic Supramolecules","Journal of the American Chemical Society","2010","132","","3893","3908","10.1021/ja910419h","","","0.71073","MoKα","","0.1679","0.1158","","","0.2913","0.3266","","","","","","1.113","","","","has coordinates,has disorder","178767","2020-10-21","18:00:00",""
"4102130","28.712","0.005","28.712","0.005","26.128","0.005","90","0.005","90","0.005","120","0.005","18654","6","173","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C33 H33 Cd3.5 N3 O14 -","- C33 H34.5 Cd3.5 N3 O14 -","- C396 H414 Cd42 N36 O168 -","12","0.333333","","Peter D. Frischmann; Glenn A. Facey; Phuong Y. Ghi; Amanda J. Gallant; David L. Bryce; Francesco Lelj; Mark J. MacLachlan","Capsule Formation, Carboxylate Exchange, and DFT Exploration of Cadmium Cluster Metallocavitands: Highly Dynamic Supramolecules","Journal of the American Chemical Society","2010","132","","3893","3908","10.1021/ja910419h","","","0.71069","MoKα","","0.1358","0.0911","","","0.2626","0.2992","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102131","9.694","0.005","13.247","0.006","13.861","0.007","90.283","0.008","97.568","0.007","99.833","0.008","1737.9","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","(Et3NH)[ReV(O)(PPh3)(ox)2]1.5EtOH","","","- C31 H40 N O10.5 P Re -","- C31 H40 N O10.5 P Re -","- C62 H80 N2 O21 P2 Re2 -","2","1","","Cameron A. Lippert; Stephen A. Arnstein; C. David Sherrill; Jake D. Soper","Redox-Active Ligands Facilitate Bimetallic O2 Homolysis at Five-Coordinate Oxorhenium(V) Centers","Journal of the American Chemical Society","2010","132","","3879","3892","10.1021/ja910500a","","","0.71073","MoKα","","0.0304","0.0278","","","0.0724","0.0738","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102132","13.6961","0.0017","23.198","0.003","15.4092","0.0019","90","","114.484","0.002","90","","4455.6","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Et3NH)[ReV(O)(apPh)2]0.25MeOH","","","- C46.25 H67 N3 O3.25 Re -","- C46.25 H67 N3 O3.25 Re -","- C185 H268 N12 O13 Re4 -","4","1","","Cameron A. Lippert; Stephen A. Arnstein; C. David Sherrill; Jake D. Soper","Redox-Active Ligands Facilitate Bimetallic O2 Homolysis at Five-Coordinate Oxorhenium(V) Centers","Journal of the American Chemical Society","2010","132","","3879","3892","10.1021/ja910500a","","","0.71073","MoKα","","0.0557","0.0433","","","0.0898","0.0951","","","","","","1.018","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102133","21.305","0.0004","11.085","0.0002","39.1021","0.0007","90","","90","","90","","9234.6","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Et4N)[ReVII(O)2(apPh)2]","","","- C48 H70 N3 O4 Re -","- C48 H70 N3 O4 Re -","- C384 H560 N24 O32 Re8 -","8","1","","Cameron A. Lippert; Stephen A. Arnstein; C. David Sherrill; Jake D. Soper","Redox-Active Ligands Facilitate Bimetallic O2 Homolysis at Five-Coordinate Oxorhenium(V) Centers","Journal of the American Chemical Society","2010","132","","3879","3892","10.1021/ja910500a","","","1.54178","CuKα","","0.0367","0.027","","","0.0609","0.0645","","","","","","1.022","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102134","18.014","0.004","24.694","0.005","26.113","0.005","90","","90","","90","","11616","4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H37.75 N2 O7 -","- C31 H37.75 N2 O7 -","- C496 H604 N32 O112 -","16","4","","Daisuke Kato; Yoshikazu Sasaki; Dale L. Boger","Asymmetric Total Synthesis of Vindoline","Journal of the American Chemical Society","2010","132","","3685","3687","10.1021/ja910695e","","","0.71073","MoKα","","0.152","0.0784","","","0.1919","0.2458","","","","","","0.992","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102135","7.8185","0.0016","8.3688","0.0017","22.032","0.004","90","","95","0.03","90","","1436.1","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H36 N2 O7 -","- C30 H36 N2 O7 -","- C60 H72 N4 O14 -","2","1","","Daisuke Kato; Yoshikazu Sasaki; Dale L. Boger","Asymmetric Total Synthesis of Vindoline","Journal of the American Chemical Society","2010","132","","3685","3687","10.1021/ja910695e","","","0.71073","MoKα","","0.0979","0.0758","","","0.1988","0.219","","","","","","0.908","","","","has coordinates,has disorder","178767","2020-10-21","18:00:00",""
"4102136","19.509","0.005","7.3756","0.0019","9.32","0.003","90","","90","","90","","1341.1","0.7","173","2","173","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C3.25 H2.25 Mn0.25 N0.25 O1.25 -","- C3.25 H2.25 Mn0.25 N0.25 O1.25 -","- C52 H36 Mn4 N4 O20 -","16","1","","Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang","MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics","Journal of the American Chemical Society","2010","132","","3656","3657","10.1021/ja910818a","","","0.71073","MoKα","","0.0524","0.0455","","","0.1133","0.118","","","","","","1.094","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102137","7.3206","0.0004","18.7916","0.0012","11.0189","0.0007","90","","90","","90","","1515.82","0.16","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H5.5 Mn0.5 N0.5 O2.5 -","- C7 H5.5 Mn0.5 N0.5 O2.5 -","- C56 H44 Mn4 N4 O20 -","8","1","","Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang","MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics","Journal of the American Chemical Society","2010","132","","3656","3657","10.1021/ja910818a","","","0.71073","MoKα","","0.0264","0.0248","","","0.0617","0.0627","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102138","7.4362","0.0012","10.2754","0.0016","10.923","0.003","114.436","0.004","104.89","0.004","96.042","0.003","712.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 Mn N O5 -","- C15 H13 Mn N O5 -","- C30 H26 Mn2 N2 O10 -","2","1","","Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang","MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics","Journal of the American Chemical Society","2010","132","","3656","3657","10.1021/ja910818a","","","0.71073","MoKα","","0.0729","0.048","","","0.1094","0.1222","","","","","","1.027","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102139","18.2088","0.0011","17.7065","0.0011","13.3781","0.0008","90","","128.438","0.001","90","","3378.5","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 Mn N2 O6 -","- C16 H15 Mn N2 O6 -","- C128 H120 Mn8 N16 O48 -","8","1","","Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang","MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics","Journal of the American Chemical Society","2010","132","","3656","3657","10.1021/ja910818a","","","0.71073","MoKα","","0.0602","0.0475","","","0.1377","0.1465","","","","","","1.079","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102140","13.502","0.002","10.1978","0.0015","17.707","0.003","90","","90","","90","","2438.1","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Mn2 N2 O10 -","- C22 H22 Mn2 N2 O10 -","- C88 H88 Mn8 N8 O40 -","4","1","","Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang","MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics","Journal of the American Chemical Society","2010","132","","3656","3657","10.1021/ja910818a","","","0.71073","MoKα","","0.0883","0.0609","","","0.1521","0.1667","","","","","","1.087","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102141","17.627","0.003","18.138","0.003","12.564","0.002","90","","125.495","0.002","90","","3270.5","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Mn N O6 -","- C15 H14 Mn N O6 -","- C120 H112 Mn8 N8 O48 -","8","1","","Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang","MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics","Journal of the American Chemical Society","2010","132","","3656","3657","10.1021/ja910818a","","","0.71073","MoKα","","0.0736","0.0548","","","0.1434","0.1599","","","","","","1.063","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102142","16.37","0.005","19.019","0.005","11.193","0.005","90","0.005","119.543","0.005","90","0.005","3031.8","1.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H8 Mn N O5 -","- C13 H8 Mn N O5 -","- C104 H64 Mn8 N8 O40 -","8","1","","Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang","MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics","Journal of the American Chemical Society","2010","132","","3656","3657","10.1021/ja910818a","","","0.71069","MoKα","","0.0633","0.0442","","","0.1127","0.1256","","","","","","1.07","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102143","19.175","0.004","16.692","0.003","14.285","0.003","90","","130.087","0.002","90","","3498","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 Mn N O5 -","- C19 H14 Mn N O5 -","- C152 H112 Mn8 N8 O40 -","8","1","","Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang","MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics","Journal of the American Chemical Society","2010","132","","3656","3657","10.1021/ja910818a","","","0.71073","MoKα","","0.0965","0.0685","","","0.1953","0.2253","","","","","","1.081","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102144","19.0453","0.0016","16.9279","0.0015","14.3358","0.0013","90","","130.83","0.001","90","","3497.1","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Mn N O5 -","- C20 H16 Mn N O5 -","- C160 H128 Mn8 N8 O40 -","8","1","","Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang","MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics","Journal of the American Chemical Society","2010","132","","3656","3657","10.1021/ja910818a","","","0.71073","MoKα","","0.1476","0.0747","","","0.178","0.2268","","","","","","1.03","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102145","19.229","0.005","16.683","0.005","14.391","0.005","90","0.005","130.181","0.005","90","0.005","3527.1","1.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 Cl Mn N O5 -","- C19 H13 Cl Mn N O5 -","- C152 H104 Cl8 Mn8 N8 O40 -","8","1","","Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang","MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics","Journal of the American Chemical Society","2010","132","","3656","3657","10.1021/ja910818a","","","0.71069","MoKα","","0.1512","0.0731","","","0.1694","0.2237","","","","","","1.029","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102146","9.0923","0.0012","10.9151","0.0014","15.353","0.002","84.402","0.002","88.593","0.002","89.179","0.002","1515.9","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N3 O Pd -","- C16 H17 N3 O Pd -","- C64 H68 N12 O4 Pd4 -","4","2","","Dmitry Shabashov; Olafs Daugulis","Auxiliary-Assisted Palladium-Catalyzed Arylation and Alkylation of sp2 and sp3 Carbon-Hydrogen Bonds","Journal of the American Chemical Society","2010","132","","3965","3972","10.1021/ja910900p","","","0.71073","MoKα","","0.0524","0.0388","","","0.111","0.1279","","","","","","1.151","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102147","9.948","0.0009","10.5972","0.0009","11.8562","0.001","94.143","0.001","96.995","0.001","96.737","0.001","1227.27","0.18","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H25 Br2 Cl2 N3 O Pd -","- C20 H25 Br2 Cl2 N3 O Pd -","- C40 H50 Br4 Cl4 N6 O2 Pd2 -","2","1","","Dmitry Shabashov; Olafs Daugulis","Auxiliary-Assisted Palladium-Catalyzed Arylation and Alkylation of sp2 and sp3 Carbon-Hydrogen Bonds","Journal of the American Chemical Society","2010","132","","3965","3972","10.1021/ja910900p","","","0.71073","MoKα","","0.0337","0.0286","","","0.0786","0.0822","","","","","","1.008","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102148","10.5629","0.0008","11.9119","0.0009","12.1271","0.0009","64.813","0.001","75.015","0.001","82.151","0.001","1333.24","0.17","139","","139","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H90 Cl4 N6 O2 Re -","- C42 H90 Cl4 N6 O2 Re -","- C42 H90 Cl4 N6 O2 Re -","1","0.5","","T. David Harris; Miriam V. Bennett; Rodolphe Clérac; Jeffrey R. Long","[ReCl4(CN)2]2-: A High Magnetic Anisotropy Building Unit Giving Rise to the Single-Chain Magnets (DMF)4MReCl4(CN)2 (M = Mn, Fe, Co, Ni)","Journal of the American Chemical Society","2010","132","","3980","3988","10.1021/ja910963x","","","0.71073","MoKα","","0.0338","0.0337","","0.0859","0.0857","","","","1.045","1.046","1.046","","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102149","9.9185","0.0009","10.7121","0.001","14.026","0.0013","68.078","0.001","77.779","0.001","68.909","0.001","1284.7","0.2","149","","149","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H28 Cl4 Mn N6 O4 Re -","- C14 H24 Cl4 Mn N6 O4 Re -","- C28 H48 Cl8 Mn2 N12 O8 Re2 -","2","1","","T. David Harris; Miriam V. Bennett; Rodolphe Clérac; Jeffrey R. Long","[ReCl4(CN)2]2-: A High Magnetic Anisotropy Building Unit Giving Rise to the Single-Chain Magnets (DMF)4MReCl4(CN)2 (M = Mn, Fe, Co, Ni)","Journal of the American Chemical Society","2010","132","","3980","3988","10.1021/ja910963x","","","0.71073","MoKα","","0.0488","0.0366","","","0.0915","0.0995","","","","","","0.994","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102150","9.8745","0.0007","10.5846","0.0007","13.9378","0.001","68.131","0.004","78.315","0.004","69.294","0.004","1260.37","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H28 Cl4 Fe N6 O4 Re -","- C14 H24 Cl4 Fe N6 O4 Re -","- C28 H48 Cl8 Fe2 N12 O8 Re2 -","2","1","","T. David Harris; Miriam V. Bennett; Rodolphe Clérac; Jeffrey R. Long","[ReCl4(CN)2]2-: A High Magnetic Anisotropy Building Unit Giving Rise to the Single-Chain Magnets (DMF)4MReCl4(CN)2 (M = Mn, Fe, Co, Ni)","Journal of the American Chemical Society","2010","132","","3980","3988","10.1021/ja910963x","","","1.54178","CuKα","","0.0377","0.0306","","","0.0958","0.1026","","","","","","1.927","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102151","9.9575","0.001","10.5493","0.0013","13.9144","0.0014","67.882","0.001","86.275","0.001","69.659","0.002","1266","0.2","155","","155","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H28 Cl4 Co N6 O4 Re -","- C14 H24 Cl4 Co N6 O4 Re -","- C28 H48 Cl8 Co2 N12 O8 Re2 -","2","1","","T. David Harris; Miriam V. Bennett; Rodolphe Clérac; Jeffrey R. Long","[ReCl4(CN)2]2-: A High Magnetic Anisotropy Building Unit Giving Rise to the Single-Chain Magnets (DMF)4MReCl4(CN)2 (M = Mn, Fe, Co, Ni)","Journal of the American Chemical Society","2010","132","","3980","3988","10.1021/ja910963x","","","0.71073","MoKα","","0.0589","0.0401","","0.1133","0.1004","","","","1.004","1.062","1.062","","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102152","51.67","0.006","51.67","0.006","51.67","0.006","90","","90","","90","","137948","3","120","2","120","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C102 H194 Cu3 N16 O57 -","- C54 H24 Cu3 O15 -","- C1728 H768 Cu96 O480 -","32","0.166667","","Yong Yan; Irvin Telepeni; Sihai Yang; Xiang Lin; Winfried Kockelmann; Anne Dailly; Alexander J. Blake; William Lewis; Gavin S. Walker; David R. Allan; Sarah A. Barnett; Neil R. Champness; Martin Schröder","Metal-Organic Polyhedral Frameworks: High H2 Adsorption Capacities and Neutron Powder Diffraction Studies","Journal of the American Chemical Society","2010","132","","4092","4094","10.1021/ja1001407","","","0.6889","Synchrotron","","0.115","0.104","","","0.297","0.308","","","","","","1.18","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102153","6.2423","0.0009","8.328","0.0013","25.041","0.004","90","","90","","90","","1301.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br O3 -","- C14 H13 Br O3 -","- C56 H52 Br4 O12 -","4","1","","Qing Gu; Zi-Qiang Rong; Chao Zheng; Shu-Li You","Desymmetrization of Cyclohexadienones via Brønsted Acid-Catalyzed Enantioselective Oxo-Michael Reaction","Journal of the American Chemical Society","2010","132","","4056","4057","10.1021/ja100207s","","","0.71073","MoKα","","0.0594","0.0432","","","0.0935","0.0985","","","","","","0.882","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102154","12.1037","0.0009","12.5612","0.0009","15.1027","0.0011","90","","94.4358","0.0013","90","","2289.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 B11 Cl12 -","- C5 H11 B11 Cl12 -","- C20 H44 B44 Cl48 -","4","1","","Evgenii S. Stoyanov; Irina V. Stoyanova; Fook S. Tham; Christopher A. Reed","Dialkyl Chloronium Ions","Journal of the American Chemical Society","2010","132","","4062","4063","10.1021/ja100297b","","","0.71073","MoKα","","0.0583","0.0448","","","0.1071","0.1153","","","","","","1.071","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102155","10.2876","0.0003","13.1974","0.0004","15.9965","0.0005","90","","90","","90","","2171.84","0.11","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C3 H7 B11 Cl12 -","- C3 H7 B11 Cl12 -","- C12 H28 B44 Cl48 -","4","0.5","","Evgenii S. Stoyanov; Irina V. Stoyanova; Fook S. Tham; Christopher A. Reed","Dialkyl Chloronium Ions","Journal of the American Chemical Society","2010","132","","4062","4063","10.1021/ja100297b","","","0.71073","MoKα","","0.0301","0.0245","","","0.0603","0.0628","","","","","","1.061","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102156","11.5301","0.0003","13.0178","0.0003","15.2397","0.0004","87.068","0.001","86.218","0.002","67.149","0.001","2102.5","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H52 N6 O2 -","- C50 H52 N6 O2 -","- C100 H104 N12 O4 -","2","1","","Diego Bagnis; Luca Beverina; Hui Huang; Fabio Silvestri; Yan Yao; Henry Yan; Giorgio A. Pagani; Tobin J. Marks; Antonio Facchetti","Marked Alkyl- vs Alkenyl-Substitutent Effects on Squaraine Dye Solid-State Structure, Carrier Mobility, and Bulk-Heterojunction Solar Cell Efficiency","Journal of the American Chemical Society","2010","132","","4074","4075","10.1021/ja100520q","","","1.54178","CuKα","","0.053","0.0388","","","0.0976","0.1062","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102157","10.0064","0.0009","10.014","0.002","11.6495","0.0011","100.379","0.01","114.691","0.006","94.897","0.009","1026.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H48 N6 O2 -","- C50 H48 N6 O2 -","- C50 H48 N6 O2 -","1","0.5","","Diego Bagnis; Luca Beverina; Hui Huang; Fabio Silvestri; Yan Yao; Henry Yan; Giorgio A. Pagani; Tobin J. Marks; Antonio Facchetti","Marked Alkyl- vs Alkenyl-Substitutent Effects on Squaraine Dye Solid-State Structure, Carrier Mobility, and Bulk-Heterojunction Solar Cell Efficiency","Journal of the American Chemical Society","2010","132","","4074","4075","10.1021/ja100520q","","","1.54178","CuKα","","0.1151","0.055","","","0.1158","0.1403","","","","","","0.967","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102158","5.45891","0.0001","11.3397","0.0002","28.9935","0.0005","90","","90","","90","","1794.77","0.06","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br N2 O2 -","- C20 H21 Br N2 O2 -","- C80 H84 Br4 N8 O8 -","4","1","","Takuya Hashimoto; Yuko Maeda; Masato Omote; Hiroki Nakatsu; Keiji Maruoka","Catalytic Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines with α,β-Unsaturated Aldehydes","Journal of the American Chemical Society","2010","132","","4076","4077","10.1021/ja100787a","","","1.54187","CuKα","","","0.0366","","","","0.0898","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102159","9.46167","0.00017","11.9002","0.0002","15.0505","0.0003","90","","90","","90","","1694.62","0.05","123.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C72 H104 N8 O8 -","4","1","","Takuya Hashimoto; Yuko Maeda; Masato Omote; Hiroki Nakatsu; Keiji Maruoka","Catalytic Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines with α,β-Unsaturated Aldehydes","Journal of the American Chemical Society","2010","132","","4076","4077","10.1021/ja100787a","","","1.54187","CuKα","","","0.0334","","","","0.0877","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102160","6.10829","0.00012","7.5097","0.00015","17.8862","0.0003","90","","93.2667","0.0012","90","","819.13","0.03","143.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 N2 O2 -","- C17 H24 N2 O2 -","- C34 H48 N4 O4 -","2","1","","Takuya Hashimoto; Yuko Maeda; Masato Omote; Hiroki Nakatsu; Keiji Maruoka","Catalytic Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines with α,β-Unsaturated Aldehydes","Journal of the American Chemical Society","2010","132","","4076","4077","10.1021/ja100787a","","","1.54187","CuKα","","","0.049","","","","0.158","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102161","8.35231","0.00018","10.24","0.0002","9.641","0.0002","90","","91.1862","0.0014","90","","824.4","0.03","123.1","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C36 H52 N4 O4 -","2","1","","Takuya Hashimoto; Yuko Maeda; Masato Omote; Hiroki Nakatsu; Keiji Maruoka","Catalytic Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines with α,β-Unsaturated Aldehydes","Journal of the American Chemical Society","2010","132","","4076","4077","10.1021/ja100787a","","","1.54187","CuKα","","","0.0426","","","","0.1148","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102162","20.888","0.003","11.7854","0.0019","21.287","0.003","90","","119.255","0.001","90","","4571.9","1.2","143","1","143","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H56 N8 Ru2 -","- C50 H56 N8 Ru2 -","- C200 H224 N32 Ru8 -","4","0.5","","Noah L. Wieder; Michelle Gallagher; Patrick J. Carroll; Donald H. Berry","Evidence for Ligand Non-innocence in a Formally Ruthenium(I) Hydride Complex","Journal of the American Chemical Society","2010","132","","4107","4109","10.1021/ja100894h","","","0.71069","MoKα","","0.0642","0.0565","","","0.1353","0.1413","","","","","","1.115","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102163","30.748","0.018","7.12","0.004","15.932","0.009","90","","90","","90","","3488","3","150","2","150","2","","","","","","","","5","C m m m","-C 2 2","65","InPyrene","","","- C53 H53 In2 N3 O17 -","- C48 H24 In2 O10 -","- C96 H48 In4 O20 -","2","0.125","","Kyriakos C. Stylianou; Romain Heck; Samantha Y. Chong; John Bacsa; James T. A. Jones; Yaroslav Z. Khimyak; Darren Bradshaw; Matthew J. Rosseinsky","A Guest-Responsive Fluorescent 3D Microporous Metal-Organic Framework Derived from a Long-Lifetime Pyrene Core","Journal of the American Chemical Society","2010","132","","4119","4130","10.1021/ja906041f","","","0.71073","synchrotron","","0.0943","0.063","","","0.164","0.1741","","","","","","0.975","","","","has coordinates,has disorder","178767","2020-10-21","18:00:00",""
"4102164","10.28","0.0002","12.077","0.0002","15.155","0.0003","104.021","0.001","97.014","0.001","110.291","0.001","1667.67","0.06","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H40 Mn3 N2 O9 Se3 -","- C25 H40 Mn3 N2 O9 Se3 -","- C50 H80 Mn6 N4 O18 Se6 -","2","1","","Minghuey Shieh; Chia-Hua Ho; Wen-Shyan Sheu; Horng-Wen Chen","Selective Insertion of Oxygen and Selenium into an Electron-Precise Paramagnetic Selenium-Manganese Carbonyl Cluster [Se6Mn6(CO)18]4-","Journal of the American Chemical Society","2010","132","","4032","4033","10.1021/ja9091566","","","0.71073","MoKα","","0.079","0.0689","","","0.1807","0.1948","","","","","","1.123","","","","has coordinates,has disorder","178767","2020-10-21","18:00:00",""
"4102165","11.7889","0.0003","17.6115","0.0004","17.7074","0.0004","89.438","0.001","88.132","0.001","72.987","0.001","3513.66","0.14","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H80 Mn6 N4 O19 Se6 -","- C50 H80 Mn6 N4 O19 Se6 -","- C100 H160 Mn12 N8 O38 Se12 -","2","1","","Minghuey Shieh; Chia-Hua Ho; Wen-Shyan Sheu; Horng-Wen Chen","Selective Insertion of Oxygen and Selenium into an Electron-Precise Paramagnetic Selenium-Manganese Carbonyl Cluster [Se6Mn6(CO)18]4-","Journal of the American Chemical Society","2010","132","","4032","4033","10.1021/ja9091566","","","0.71073","MoKα","","0.0741","0.0524","","","0.1383","0.1507","","","","","","1.035","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102166","10.9764","0.0003","13.6988","0.0004","24.3835","0.0009","90","","92.289","0.001","90","","3663.5","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H80 Mn6 N4 O18 Se10 -","- C50 H80 Mn6 N4 O18 Se10 -","- C100 H160 Mn12 N8 O36 Se20 -","2","0.5","","Minghuey Shieh; Chia-Hua Ho; Wen-Shyan Sheu; Horng-Wen Chen","Selective Insertion of Oxygen and Selenium into an Electron-Precise Paramagnetic Selenium-Manganese Carbonyl Cluster [Se6Mn6(CO)18]4-","Journal of the American Chemical Society","2010","132","","4032","4033","10.1021/ja9091566","","","0.71073","MoKα","","0.1354","0.071","","","0.1806","0.2264","","","","","","1.05","","","","has coordinates,has disorder","178767","2020-10-21","18:00:00",""
"4102167","15.0449","0.0008","15.0449","0.0008","81.101","0.006","90","","90","","120","","15897.7","1.7","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C53.5 H87 Fe N3 P3 Si -","- C53.4 H86.85 Fe N2.97 P3 Si -","- C640.8 H1042.2 Fe12 N35.64 P36 Si12 -","12","0.333333","","Neal P. Mankad; Peter Müller; Jonas C. Peters","Catalytic N-N Coupling of Aryl Azides To Yield Azoarenes via trigonal Bipyramid Iron-Nitrene Intermediates","Journal of the American Chemical Society","2010","132","","4083","4085","10.1021/ja910224c","","","0.71073","MoKα","","0.0588","0.0516","","","0.1168","0.12","","","","","","1.21","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102168","13.4209","0.0018","14.619","0.002","21.192","0.003","90","","90","","90","","4157.9","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[SiPiPr3]Fe(NHTol)","","","- C43 H62 Fe N P3 Si -","- C43 H62 Fe N P3 Si -","- C172 H248 Fe4 N4 P12 Si4 -","4","1","","Neal P. Mankad; Peter Müller; Jonas C. Peters","Catalytic N-N Coupling of Aryl Azides To Yield Azoarenes via trigonal Bipyramid Iron-Nitrene Intermediates","Journal of the American Chemical Society","2010","132","","4083","4085","10.1021/ja910224c","","","0.71073","MoKα","","0.0587","0.0419","","","0.082","0.0899","","","","","","1.011","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102169","26.847","0.004","26.847","0.004","33.221","0.007","90","","90","","120","","20736","6","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C168 H222 Cl4 Mn25 N15 O112 -","- C168 H222 Cl4 Mn25 N15 O112 -","- C504 H666 Cl12 Mn75 N45 O336 -","3","0.333333","","Cai-Ming Liu; Ren-Gen Xiong; De-Qing Zhang; Dao-Ben Zhu","Nanoscale Homochiral C3-Symmetric Mixed-Valence Manganese Cluster Complexes with Both Ferromagnetic and Ferroelectric Properties","Journal of the American Chemical Society","2010","132","","4044","4045","10.1021/ja910310p","","","0.71073","MoKα","","0.08","0.0743","","","0.2139","0.2206","","","","","","1.101","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102170","26.933","0.004","26.933","0.004","33.251","0.007","90","","90","","120","","20888","6","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C168 H222 Cl4 Mn25 N15 O112 -","- C168 H222 Cl4 Mn25 N15 O112 -","- C504 H666 Cl12 Mn75 N45 O336 -","3","0.333333","","Cai-Ming Liu; Ren-Gen Xiong; De-Qing Zhang; Dao-Ben Zhu","Nanoscale Homochiral C3-Symmetric Mixed-Valence Manganese Cluster Complexes with Both Ferromagnetic and Ferroelectric Properties","Journal of the American Chemical Society","2010","132","","4044","4045","10.1021/ja910310p","","","0.71073","MoKα","","0.0672","0.0654","","","0.1816","0.1844","","","","","","1.085","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102171","8.5394","0.0004","10.3251","0.0005","16.5699","0.0008","94.324","0.004","101.046","0.003","114.318","0.003","1287.09","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 Si2 Ti -","- C28 H32 Si2 Ti -","- C56 H64 Si4 Ti2 -","2","1","","Martin Lamač; Anke Spannenberg; Wolfgang Baumann; Haijun Jiao; Christine Fischer; Sven Hansen; Perdita Arndt; Uwe Rosenthal","Si-H Bond Activation of Alkynylsilanes by Group 4 Metallocene Complexes","Journal of the American Chemical Society","2010","132","","4369","4380","10.1021/ja910527w","","","0.71073","MoKα","","0.0535","0.0322","","","0.0722","0.0757","","","","","","0.86","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102172","32.0481","0.001","9.1762","0.0002","20.1421","0.0007","90","","113.035","0.002","90","","5451.1","0.3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H38 Hf Si4 -","- C22 H38 Hf Si4 -","- C176 H304 Hf8 Si32 -","8","1","","Martin Lamač; Anke Spannenberg; Wolfgang Baumann; Haijun Jiao; Christine Fischer; Sven Hansen; Perdita Arndt; Uwe Rosenthal","Si-H Bond Activation of Alkynylsilanes by Group 4 Metallocene Complexes","Journal of the American Chemical Society","2010","132","","4369","4380","10.1021/ja910527w","","","0.71073","MoKα","","0.0328","0.0199","","","0.0416","0.0433","","","","","","0.894","","","","has coordinates,has disorder","178767","2020-10-21","18:00:00",""
"4102173","16.8109","0.0005","10.2196","0.0003","14.9047","0.0005","90","","109.929","0.002","90","","2407.3","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H35 Hf P Si2 -","- C20 H35 Hf P Si2 -","- C80 H140 Hf4 P4 Si8 -","4","1","","Martin Lamač; Anke Spannenberg; Wolfgang Baumann; Haijun Jiao; Christine Fischer; Sven Hansen; Perdita Arndt; Uwe Rosenthal","Si-H Bond Activation of Alkynylsilanes by Group 4 Metallocene Complexes","Journal of the American Chemical Society","2010","132","","4369","4380","10.1021/ja910527w","","","0.71073","MoKα","","0.066","0.0363","","","0.0652","0.0697","","","","","","0.972","","","","has coordinates,has disorder","178767","2020-10-21","18:00:00",""
"4102174","8.1828","0.0002","10.4511","0.0003","20.5913","0.0006","88.056","0.002","84.173","0.002","80.283","0.002","1726.47","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 Hf Si4 -","- C38 H38 Hf Si4 -","- C76 H76 Hf2 Si8 -","2","1","","Martin Lamač; Anke Spannenberg; Wolfgang Baumann; Haijun Jiao; Christine Fischer; Sven Hansen; Perdita Arndt; Uwe Rosenthal","Si-H Bond Activation of Alkynylsilanes by Group 4 Metallocene Complexes","Journal of the American Chemical Society","2010","132","","4369","4380","10.1021/ja910527w","","","0.71073","MoKα","","0.0323","0.0246","","","0.0532","0.0543","","","","","","0.91","","","","has coordinates,has disorder","178767","2020-10-21","18:00:00",""
"4102175","9.2758","0.0002","12.5624","0.0003","17.6005","0.0003","90","","90.212","0.001","90","","2050.91","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H58 I2 N4 O2 U -","- C38 H58 I2 N4 O2 U -","- C76 H116 I4 N8 O4 U2 -","2","0.5","","Zoë R. Turner; Ronan Bellabarba; Robert P. Tooze; Polly L. Arnold","Addition-Elimination Reactions across the M-C Bond of Metal N-Heterocyclic Carbenes","Journal of the American Chemical Society","2010","132","","4050","4051","10.1021/ja910673q","","","0.71073","MoKα","","0.0473","0.0403","","","0.0861","0.0888","","","","","","1.163","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102176","9.7094","0.0002","16.401","0.0004","16.4221","0.0004","106.65","0.001","94.867","0.001","106.296","0.001","2365.67","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H74 Ce I N4 O Si5 -","- C34 H74 Ce I N4 O Si5 -","- C68 H148 Ce2 I2 N8 O2 Si10 -","2","1","","Zoë R. Turner; Ronan Bellabarba; Robert P. Tooze; Polly L. Arnold","Addition-Elimination Reactions across the M-C Bond of Metal N-Heterocyclic Carbenes","Journal of the American Chemical Society","2010","132","","4050","4051","10.1021/ja910673q","","","0.71073","MoKα","","0.0403","0.0341","","","0.0691","0.0727","","","","","","1.142","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102177","13.71","0.0006","14.9679","0.0007","14.9982","0.0007","88.187","0.003","81.333","0.002","72.347","0.002","2899","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H172 Ce2 N14 O2 Si10 -","- C92 H172 Ce2 N14 O2 Si10 -","- C92 H172 Ce2 N14 O2 Si10 -","1","0.5","","Zoë R. Turner; Ronan Bellabarba; Robert P. Tooze; Polly L. Arnold","Addition-Elimination Reactions across the M-C Bond of Metal N-Heterocyclic Carbenes","Journal of the American Chemical Society","2010","132","","4050","4051","10.1021/ja910673q","","","0.71073","MoKα","","0.0546","0.0459","","","0.1029","0.1071","","","","","","1.178","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102178","9.6227","0.0008","16.3315","0.0013","16.4128","0.0014","106.924","0.004","94.311","0.004","106.275","0.004","2334","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H74 I N4 O Si5 Y -","- C34 H74 I N4 O Si5 Y -","- C68 H148 I2 N8 O2 Si10 Y2 -","2","1","","Zoë R. Turner; Ronan Bellabarba; Robert P. Tooze; Polly L. Arnold","Addition-Elimination Reactions across the M-C Bond of Metal N-Heterocyclic Carbenes","Journal of the American Chemical Society","2010","132","","4050","4051","10.1021/ja910673q","","","0.71073","MoKα","","0.0395","0.0296","","","0.069","0.073","","","","","","1.038","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102179","9.6898","0.0002","16.4169","0.0004","16.4228","0.0004","106.812","0.001","94.571","0.001","106.326","0.001","2362.84","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H74 I N4 O Si5 U -","- C34 H74 I N4 O Si5 U -","- C68 H148 I2 N8 O2 Si10 U2 -","2","1","","Zoë R. Turner; Ronan Bellabarba; Robert P. Tooze; Polly L. Arnold","Addition-Elimination Reactions across the M-C Bond of Metal N-Heterocyclic Carbenes","Journal of the American Chemical Society","2010","132","","4050","4051","10.1021/ja910673q","","","0.71073","MoKα","","0.0531","0.047","","","0.0938","0.0981","","","","","","1.213","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102180","20.3248","0.001","10.7829","0.0005","19.9568","0.0009","90","","110.601","0.002","90","","4094.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H56 N4 O Si4 U -","- C31 H56 N4 O Si4 U -","- C124 H224 N16 O4 Si16 U4 -","4","1","","Zoë R. Turner; Ronan Bellabarba; Robert P. Tooze; Polly L. Arnold","Addition-Elimination Reactions across the M-C Bond of Metal N-Heterocyclic Carbenes","Journal of the American Chemical Society","2010","132","","4050","4051","10.1021/ja910673q","","","0.71073","MoKα","","0.0456","0.0336","","","0.0755","0.0811","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102181","12.5342","0.0007","65.014","0.003","21.5322","0.001","90","","103.097","0.003","90","","17090.1","1.5","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H80 Ce N7 O Si4 -","- C41 H80 Ce N7 O Si4 -","- C492 H960 Ce12 N84 O12 Si48 -","12","3","","Zoë R. Turner; Ronan Bellabarba; Robert P. Tooze; Polly L. Arnold","Addition-Elimination Reactions across the M-C Bond of Metal N-Heterocyclic Carbenes","Journal of the American Chemical Society","2010","132","","4050","4051","10.1021/ja910673q","","","0.71073","MoKα","","0.1","0.0951","","0.0825","0.082","0.082","","","","","","1.1032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102182","11.2956","0.0011","11.9428","0.001","17.5109","0.0016","77.449","0.007","76.951","0.007","77.429","0.007","2210.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H42 O9 P Pd S -","- C38 H42 O9 P Pd S -","- C76 H84 O18 P2 Pd2 S2 -","2","1","","Damien Guironnet; Lucia Caporaso; Boris Neuwald; Inigo Göttker-Schnetmann; Luigi Cavallo; Stefan Mecking","Mechanistic Insights on Acrylate Insertion Polymerization","Journal of the American Chemical Society","2010","132","","4418","4426","10.1021/ja910760n","","","0.71073","MoKα","","0.0656","0.0488","","","0.1316","0.1393","","","","","","1.057","","","","has coordinates,has disorder","178767","2020-10-21","18:00:00",""
"4102183","8.3124","0.0003","9.5889","0.0003","21.4172","0.0006","90","","90","","90","","1707.1","0.09","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O6 -","- C18 H24 O6 -","- C72 H96 O24 -","4","1","","Hui Zhou; Kangjian Qiao; Zhizeng Gao; Michael J. Meehan; Jesse W.-H. Li; Xiling Zhao; Pieter C. Dorrestein; John C. Vederas; Yi Tang","Enzymatic Synthesis of Resorcylic Acid Lactones by Cooperation of Fungal Iterative Polyketide Synthases Involved in Hypothemycin Biosynthesis","Journal of the American Chemical Society","2010","132","","4530","4531","10.1021/ja100060k","","","0.71073","MoKα","","0.0283","0.0276","","","0.0764","0.0771","","","","","","1.04","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102184","5.6995","0.0014","5.6995","0.0014","23.799","0.006","90","","90","","120","","669.5","0.3","","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba0.208 Co0.208 F0.042 O0.542 -","- Ba0.416667 Co0.416667 F0.063375 O1.08333 -","- Ba10 Co10 F1.521 O25.9998 -","24","1","","Olivier Mentré; Houria Kabbour; Ghislaine Ehora; Grégory Tricot; Sylvie Daviero-Minaud; Myung-Hwan Whangbo","Anion-Vacancy-Induced Magneto-Crystalline Anisotropy in Fluorine-Doped hexagonal Cobaltites","Journal of the American Chemical Society","2010","132","","4865","4875","10.1021/ja100170m","","","0.71073","MoKα","","0.032","0.0227","","","0.0225","0.0234","","","","2.96","2.96","2.82","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102185","5.71","0.002","5.71","0.002","23.925","0.01","90","","90","","120","","675.5","0.4","","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba0.417 Co0.417 F0.083 O1.083 -","- Ba0.416667 Co0.416667 F0.063375 O1.08333 -","- Ba10 Co10 F1.521 O25.9998 -","24","1","","Olivier Mentré; Houria Kabbour; Ghislaine Ehora; Grégory Tricot; Sylvie Daviero-Minaud; Myung-Hwan Whangbo","Anion-Vacancy-Induced Magneto-Crystalline Anisotropy in Fluorine-Doped hexagonal Cobaltites","Journal of the American Chemical Society","2010","132","","4865","4875","10.1021/ja100170m","","","0.71073","MoKα","","0.0328","0.022","","","0.0221","0.023","","","","2.94","2.94","2.74","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102186","13.3502","0.0007","15.9899","0.0008","17.0757","0.0008","90","","90","","90","","3645.1","0.3","148","2","148","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O6 -","- C20 H25 N2 O6 -","- C160 H200 N16 O48 -","8","2","","Connor L. Martin; Larry E. Overman; Jason M. Rohde","Total Synthesis of (\±)- and (-)-Actinophyllic Acid","Journal of the American Chemical Society","2010","132","","4894","4906","10.1021/ja100178u","","","0.71073","MoKα","","0.0566","0.0521","","","0.1327","0.1368","","","","","","1.024","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4102187","11.3371","0.0006","16.2005","0.0009","18.065","0.001","90","","105.481","0.001","90","","3197.6","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 N2 O8 S -","- C32 H40 N2 O8 S -","- C128 H160 N8 O32 S4 -","4","1","","Connor L. Martin; Larry E. Overman; Jason M. Rohde","Total Synthesis of (\±)- and (-)-Actinophyllic Acid","Journal of the American Chemical Society","2010","132","","4894","4906","10.1021/ja100178u","","","0.71073","MoKα","","0.0449","0.0361","","","0.0917","0.0974","","","","","","1.038","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102188","13.271","0.002","15.261","0.003","15.572","0.003","90","","90","","90","","3153.8","1","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O4.5 -","- C18 H18 N2 O4.5 -","- C144 H144 N16 O36 -","8","2","","Connor L. Martin; Larry E. Overman; Jason M. Rohde","Total Synthesis of (\±)- and (-)-Actinophyllic Acid","Journal of the American Chemical Society","2010","132","","4894","4906","10.1021/ja100178u","","","0.71073","MoKα","","0.0785","0.0647","","","0.1775","0.1882","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102189","4.83377","0.00008","12.57757","0.00018","14.80061","0.0003","90","","93.2827","0.0016","90","","898.36","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","HBPTSMe","","","- C12 H8 N6 S4 Se4 -","- C12 H8 N6 S4 Se4 -","- C24 H16 N12 S8 Se8 -","2","0.5","","John S. Tse; Alicea A. Leitch; Xueyang Yu; Xuezhao Bao; Sijia Zhang; Qingqing Liu; Changqing Jin; Richard A. Secco; Serge Desgreniers; Yasuo Ohishi; Richard T. Oakley","Metallization of a Hypervalent Radical Dimer: Molecular and Band Perspectives","Journal of the American Chemical Society","2010","132","","4876","4886","10.1021/ja100216c","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.11541","","","","","","","","","has coordinates,has Fobs","178767","2020-10-21","18:00:00",""
"4102190","4.60771","0.00012","12.69423","0.0002","14.0065","0.0004","90","","89.3851","0.002","90","","819.21","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","HBPTSMe","","","- C12 H8 N6 S4 Se4 -","- C12 H8 N6 S4 Se4 -","- C24 H16 N12 S8 Se8 -","2","0.5","","John S. Tse; Alicea A. Leitch; Xueyang Yu; Xuezhao Bao; Sijia Zhang; Qingqing Liu; Changqing Jin; Richard A. Secco; Serge Desgreniers; Yasuo Ohishi; Richard T. Oakley","Metallization of a Hypervalent Radical Dimer: Molecular and Band Perspectives","Journal of the American Chemical Society","2010","132","","4876","4886","10.1021/ja100216c","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.15233","","","","","","","","","has coordinates,has Fobs","178767","2020-10-21","18:00:00",""
"4102191","4.5743","0.00014","12.67862","0.00024","13.8297","0.0004","90","","88.6518","0.0026","90","","801.84","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","HBPTSMe","","","- C6 H4 N3 S2 Se2 -","- C6 H4 N3 S2 Se2 -","- C24 H16 N12 S8 Se8 -","4","1","","John S. Tse; Alicea A. Leitch; Xueyang Yu; Xuezhao Bao; Sijia Zhang; Qingqing Liu; Changqing Jin; Richard A. Secco; Serge Desgreniers; Yasuo Ohishi; Richard T. Oakley","Metallization of a Hypervalent Radical Dimer: Molecular and Band Perspectives","Journal of the American Chemical Society","2010","132","","4876","4886","10.1021/ja100216c","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.11696","","","","","","","","","has coordinates,has Fobs","178767","2020-10-21","18:00:00",""
"4102192","3.94301","0.00009","14.08054","0.00031","13.2227","0.0004","90","","85.5588","0.0028","90","","731.92","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","HBPTSMe","","","- C6 H4 N3 S2 Se2 -","- C6 H4 N3 S2 Se2 -","- C24 H16 N12 S8 Se8 -","4","1","","John S. Tse; Alicea A. Leitch; Xueyang Yu; Xuezhao Bao; Sijia Zhang; Qingqing Liu; Changqing Jin; Richard A. Secco; Serge Desgreniers; Yasuo Ohishi; Richard T. Oakley","Metallization of a Hypervalent Radical Dimer: Molecular and Band Perspectives","Journal of the American Chemical Society","2010","132","","4876","4886","10.1021/ja100216c","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.05868","","","","","","","","","has coordinates,has Fobs","178767","2020-10-21","18:00:00",""
"4102193","3.73682","0.00019","14.0175","0.0006","12.742","0.0009","90","","87.144","0.006","90","","666.61","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","HBPTSMe","","","- C6 H4 N3 S2 Se2 -","- C6 H4 N3 S2 Se2 -","- C24 H16 N12 S8 Se8 -","4","1","","John S. Tse; Alicea A. Leitch; Xueyang Yu; Xuezhao Bao; Sijia Zhang; Qingqing Liu; Changqing Jin; Richard A. Secco; Serge Desgreniers; Yasuo Ohishi; Richard T. Oakley","Metallization of a Hypervalent Radical Dimer: Molecular and Band Perspectives","Journal of the American Chemical Society","2010","132","","4876","4886","10.1021/ja100216c","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.13519","","","","","","","","","has coordinates,has Fobs","178767","2020-10-21","18:00:00",""
"4102194","14.5313","0.0013","13.9827","0.0013","14.7422","0.0014","90","","90","","90","","2995.4","0.5","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","(Et4N)[Ni(PyN2(Me2))OH]","","","- C31 H42 N4 Ni O3 -","- C31 H22 N4 Ni O3 -","- C124 H88 N16 Ni4 O12 -","4","0.5","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0476","0.0462","","","0.1224","0.1242","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102195","15.881","0.004","9.182","0.002","10.685","0.002","90","","90","","90","","1558.1","0.6","100","2","100","2","","","","","","","","6","I m m 2","I 2 -2","44","(Et4N)[Ni(PyN2(Me2))Cl].CH2Cl2","","","- C32 H43 Cl3 N4 Ni O2 -","- C32 H21 Cl3 N4 Ni O2 -","- C64 H42 Cl6 N8 Ni2 O4 -","2","0.25","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0614","0.06","","","0.1639","0.1657","","","","","","1.139","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102196","15.698","0.008","9.143","0.005","10.847","0.005","90","","90","","90","","1556.8","1.4","100","2","100","2","","","","","","","","6","I m m 2","I 2 -2","44","(Et4N)[Ni(PyN2(Me2))SH]","","","- C31 H42 N4 Ni O2 S -","- C31 H22 N4 Ni O2 S -","- C62 H44 N8 Ni2 O4 S2 -","2","0.25","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0514","0.0476","","","0.122","0.125","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102197","18.421","0.005","14.485","0.004","11.217","0.003","90","","90","","90","","2993","1.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(Et4N)[Ni(PyN2(Me2))HCO2]","","","- C32 H42 N4 Ni O4 -","- C32 H42 N4 Ni O4 -","- C128 H168 N16 Ni4 O16 -","4","0.5","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0952","0.0855","","","0.2115","0.2152","","","","","","1.273","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102198","15.572","0.005","9.016","0.003","10.919","0.004","90","","90","","90","","1533","0.9","100","2","100","2","","","","","","","","5","I m m 2","I 2 -2","44","(Et4N)[Ni(PyN2(Me2))CN]","","","- C32 H41 N5 Ni O2 -","- C32 H21 N5 Ni O2 -","- C64 H42 N10 Ni2 O4 -","2","0.25","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0391","0.0383","","","0.1021","0.1036","","","","","","1.1","","","","has coordinates","194617","2020-10-21","18:00:00",""
"4102199","16.056","0.004","14.017","0.004","17.828","0.005","90","","90","","90","","4012.3","1.9","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","[Ni(PyN2(Me2))(CN)Fe(Me6tren)](OTf)","","","- C37 H51 F3 Fe N8 Ni O5 S -","- C37 H52 F3 Fe N8 Ni O5 S -","- C148 H208 F12 Fe4 N32 Ni4 O20 S4 -","4","0.5","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0792","0.0566","","","0.1368","0.1488","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102200","7.857","0.002","13.443","0.004","15.249","0.005","73.508","0.005","77.465","0.005","83.423","0.005","1505.1","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","[H2PyN2dien(Me3)](2HCl).MeOH.0.25H2O","","","- C29 H40.5 Cl2 N6 O3.25 -","- C29 H38.5 Cl2 N6 O3.25 -","- C58 H77 Cl4 N12 O6.5 -","2","1","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0778","0.0608","","","0.1498","0.162","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102201","25.599","0.007","14.354","0.004","9.927","0.003","90","","90","","90","","3647.7","1.8","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(Et4N)[Ni(PyN2dien(Me3))OH]","","","- C36 H53 N7 Ni O3 -","- C36 H33 N7 Ni O3 -","- C144 H132 N28 Ni4 O12 -","4","0.5","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0896","0.0787","","","0.2189","0.2362","","","","","","1.067","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102202","8.726","0.004","17.818","0.007","17.063","0.007","90","","100.087","0.007","90","","2611.9","1.9","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Ni(OH)FeCl(PyN2dien(Me3))]","","","- C28 H33 Cl Fe N6 Ni O3 -","- C28 H33 Cl Fe N6 Ni O3 -","- C112 H132 Cl4 Fe4 N24 Ni4 O12 -","4","1","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.1073","0.0556","","","0.1165","0.1389","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102203","17.3841","0.0008","20.4346","0.0011","19.492","0.0009","90","","112.377","0.003","90","","6402.9","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2{[Ni(HCO2)FeCl(PyN2dien(Me3))].HCOOEt}","","","- C64 H78 Cl2 Fe2 N12 Ni2 O12 -","- C64 H72 Cl2 Fe2 N12 Ni2 O12 -","- C256 H288 Cl8 Fe8 N48 Ni8 O48 -","4","1","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.1104","0.0586","","","0.1312","0.1568","","","","","","1.012","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102204","8.6717","0.0012","20.35","0.003","17.491","0.002","90","","101.218","0.002","90","","3027.6","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Ni(CN)FeCl(PyN2dien(Me3))].MeOH","","","- C30 H36 Cl Fe N7 Ni O3 -","- C30 H36 Cl Fe N7 Ni O3 -","- C120 H144 Cl4 Fe4 N28 Ni4 O12 -","4","1","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0492","0.0373","","","0.0895","0.0958","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102205","12.2514","0.0009","17.3166","0.0014","15.1327","0.0011","90","","94.188","0.004","90","","3201.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Et4N)[Pd(PyN2(Me2))HCO3]","","","- C32 H42 N4 O5 Pd -","- C32 H42 N4 O5 Pd -","- C128 H168 N16 O20 Pd4 -","4","1","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0768","0.0624","","","0.1518","0.1679","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102206","12.8112","0.0018","16.671","0.002","14.266","0.002","90","","90.532","0.002","90","","3046.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Et4N)[Ni(PyN2(Me2))OMe]","","","- C32 H44 N4 Ni O3 -","- C32 H44 N4 Ni O3 -","- C128 H176 N16 Ni4 O12 -","4","1","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0564","0.0472","","","0.1237","0.132","","","","","","1.043","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102207","17.494","0.003","12.92","0.002","14.762","0.002","90","","90","","90","","3336.5","0.9","97","2","97","2","","","","","","","","5","P n n m","-P 2 2n","58","(Et4N)[Ni(PyN2(Me2))HCO3] H2O","","","- C32 H44 N4 Ni O6 -","- C32 H22 N4 Ni O6 -","- C128 H88 N16 Ni4 O24 -","4","0.5","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0861","0.0777","","","0.2093","0.2158","","","","","","1.196","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102208","14.461","0.005","13.742","0.005","14.839","0.005","90","","90","","90","","2948.9","1.8","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","(Et4N)[Pd(PyN2(Me2))OH]","","","- C31 H42 N4 O3 Pd -","- C31 H22 N4 O3 Pd -","- C124 H88 N16 O12 Pd4 -","4","0.5","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0526","0.0461","","","0.1104","0.1158","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102209","8.084","0.003","12.625","0.004","17.015","0.006","90","","103.119","0.005","90","","1691.2","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N O2 S -","- C18 H25 N O2 S -","- C72 H100 N4 O8 S4 -","4","1","","Qian Li; Zhi-Xiang Yu","Conjugated Diene-Assisted Allylic C-H Bond Activation: Cationic Rh(I)-Catalyzed Syntheses of Polysubstituted Tetrahydropyrroles, Tetrahydrofurans, and Cyclopentanes from Ene-2-Dienes","Journal of the American Chemical Society","2010","132","","4542","4543","10.1021/ja100409b","","","0.71073","MoKα","","0.0653","0.0597","","","0.1415","0.1455","","","","","","1.171","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102210","11.8748","0.0005","15.8767","0.0007","16.875","0.0007","85.109","0.001","83.954","0.001","80.518","0.001","3113.1","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C39.75 H34.5 Cl2.5 N2 -","- C39.75 H34.5 Cl2.5 N2 -","- C159 H138 Cl10 N8 -","4","2","","Norito Takenaka; Jinshui Chen; Burjor Captain; Robindro Singh Sarangthem; Appayee Chandrakumar","Helical Chiral 2-Aminopyridinium Ions: A New Class of Hydrogen Bond Donor Catalysts","Journal of the American Chemical Society","2010","132","","4536","4537","10.1021/ja100539c","","","0.71073","MoKα","","0.0713","0.058","","","0.1508","0.1627","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102211","14.785","0.003","15.378","0.003","16.624","0.003","90","","90","","90","","3779.7","1.3","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H50 Cl2 O7 Rh2 S4 -","- C28 H50 Cl2 O7 Rh2 S4 -","- C112 H200 Cl8 O28 Rh8 S16 -","4","1","","Jun Chen; Junmin Chen; Feng Lang; Xiangyang Zhang; Linfeng Cun; Jin Zhu; Jingen Deng; Jian Liao","AC2-Symmetric Chiral Bis-Sulfoxide Ligand in a Rhodium-Catalyzed Reaction: Asymmetric 1,4-Addition of Sodium Tetraarylborates to Chromenones","Journal of the American Chemical Society","2010","132","","4552","4553","10.1021/ja1005477","","","0.71073","MoKα","","0.0869","0.0793","","","0.1841","0.1915","","","","","","1.076","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102212","17.3177","0.0005","19.45","0.0005","20.2626","0.0006","90","","132.758","0.0008","90","","5011.2","0.3","153.1","","153.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl2 N3 V -","- C24 H23 Cl2 N3 V -","- C192 H184 Cl16 N24 V8 -","8","2","","Shu Zhang; Kotohiro Nomura","Highly Efficient Dimerization of Ethylene by (Imido)vanadium Complexes Containing (2-Anilidomethyl)pyridine Ligands: Notable Ligand Effect toward Activity and Selectivity","Journal of the American Chemical Society","2010","132","","4960","4965","10.1021/ja100573d","","","0.71075","MoKα","","","0.0448","","","","0.1323","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102213","12.0709","0.0004","12.539","0.0005","15.2621","0.0005","90","","90","","90","","2310.03","0.14","113.1","","113.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 Cl2 N3 V -","- C24 H30 Cl2 N3 V -","- C96 H120 Cl8 N12 V4 -","4","1","","Shu Zhang; Kotohiro Nomura","Highly Efficient Dimerization of Ethylene by (Imido)vanadium Complexes Containing (2-Anilidomethyl)pyridine Ligands: Notable Ligand Effect toward Activity and Selectivity","Journal of the American Chemical Society","2010","132","","4960","4965","10.1021/ja100573d","","","0.71075","MoKα","","","0.0169","","","","0.0519","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102214","10.0663","0.0018","10.537","0.002","13.172","0.003","96.887","0.005","96.829","0.006","91.582","0.005","1376","0.5","103.1","","103.1","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H38 Cl2 N3 V -","- C28 H38 Cl2 N3 V -","- C56 H76 Cl4 N6 V2 -","2","1","","Shu Zhang; Kotohiro Nomura","Highly Efficient Dimerization of Ethylene by (Imido)vanadium Complexes Containing (2-Anilidomethyl)pyridine Ligands: Notable Ligand Effect toward Activity and Selectivity","Journal of the American Chemical Society","2010","132","","4960","4965","10.1021/ja100573d","","","0.71075","MoKα","","","0.0343","","","","0.0925","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102215","7.5885","0.0004","15.7841","0.001","18.8905","0.0011","109.622","0.004","96.022","0.004","92.315","0.004","2112.6","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H21 B11 Cl6 Si -","- C7 H21 B11 Cl6 Si -","- C28 H84 B44 Cl24 Si4 -","4","2","","Christos Douvris; C. M. Nagaraja; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov","Hydrodefluorination and Other Hydrodehalogenation of Aliphatic Carbon-Halogen Bonds Using Silylium Catalysis","Journal of the American Chemical Society","2010","132","","4946","4953","10.1021/ja100605m","","","0.71073","MoKα","","0.0766","0.0398","","0.0882","0.0772","0.0882","","","","","","0.94","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102216","5.2487","0.001","9.0689","0.0018","23.581","0.005","90","","90","","90","","1122.5","0.4","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 Br O -","- C12 H15 Br O -","- C48 H60 Br4 O4 -","4","1","","Jian-Bo Xie; Jian-Hua Xie; Xiao-Yan Liu; Wei-Ling Kong; Shen Li; Qi-Lin Zhou","Highly Enantioselective Hydrogenation of α-Arylmethylene Cycloalkanones Catalyzed by Iridium Complexes of Chiral Spiro Aminophosphine Ligands","Journal of the American Chemical Society","2010","132","","4538","4539","10.1021/ja100652f","","","0.7107","MoKα","","0.0404","0.0307","","","0.0597","0.0644","","","","","","0.995","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102217","8.8803","0.0008","9.2429","0.0008","11.5508","0.0011","95.288","0.003","96.482","0.003","102.289","0.003","913.82","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 N O4 S -","- C19 H23 N O4 S -","- C38 H46 N2 O8 S2 -","2","1","","Manuel R. Fructos; Eleuterio Álvarez; M. Mar Díaz-Requejo; Pedro J. Pérez","Selective Synthesis of N-Substituted 1,2-Dihydropyridines from Furans by Copper-Induced Concurrent Tandem Catalysis","Journal of the American Chemical Society","2010","132","","4600","4607","10.1021/ja1006614","","","0.71073","MoKα","","0.036","0.0339","","","0.0936","0.096","","","","","","1.052","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102218","16.34","0.003","17.121","0.003","36.538","0.007","90","","90","","90","","10222","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C87 H140 N18 O21 -","- C87 H140 N18 O21 -","- C348 H560 N72 O84 -","4","1","","Jordi Solà; Madeleine Helliwell; Jonathan Clayden","N- versus C-Terminal Control over the Screw-Sense Preference of the Configurationally Achiral, Conformationally Helical Peptide Motif Aib8GlyAib8","Journal of the American Chemical Society","2010","132","","4548","4549","10.1021/ja100662d","","","0.71073","MoKα","","0.0767","0.0725","","","0.1474","0.1493","","","","","","1.155","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102219","11.65","0.0004","5.8419","0.0003","15.9102","0.0007","90","","90","","90","","1082.82","0.08","193","2","193","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H10 N2 O4 -","- C10 H10 N2 O4 -","- C40 H40 N8 O16 -","4","0.5","","Matthew J. Kryger; Mitchell T. Ong; Susan A. Odom; Nancy R. Sottos; Scott R. White; Todd J. Martinez; Jeffrey S. Moore","Masked Cyanoacrylates Unveiled by Mechanical Force","Journal of the American Chemical Society","2010","132","","4558","4559","10.1021/ja1008932","","","0.71073","MoKα","","0.0428","0.0364","","","0.0912","0.0974","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102220","5.9857","0.0009","9.3466","0.0015","9.4874","0.0015","93.652","0.003","100.48","0.003","95.083","0.003","518.15","0.14","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 N2 O4 -","- C10 H10 N2 O4 -","- C20 H20 N4 O8 -","2","1","","Matthew J. Kryger; Mitchell T. Ong; Susan A. Odom; Nancy R. Sottos; Scott R. White; Todd J. Martinez; Jeffrey S. Moore","Masked Cyanoacrylates Unveiled by Mechanical Force","Journal of the American Chemical Society","2010","132","","4558","4559","10.1021/ja1008932","","","0.71073","MoKα","","0.0376","0.0337","","","0.0923","0.0947","","","","","","1.157","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102221","5.4948","0.0005","7.2202","0.0007","19.2488","0.0018","90","","91.345","0.001","90","","763.46","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O2 P2 -","- C16 H20 O2 P2 -","- C32 H40 O4 P4 -","2","0.5","","Marlena P. Washington; Vittal B. Gudimetla; Feng L. Laughlin; Nihal Deligonul; Susan He; John L. Payton; M. Cather Simpson; John D. Protasiewicz","Phosphorus Can Also Be a ""Photocopy""","Journal of the American Chemical Society","2010","132","","4566","4567","10.1021/ja1009426","","","0.71073","MoKα","","0.0297","0.0291","","","0.0849","0.0856","","","","","","1.089","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102222","13.6566","0.0001","14.8733","0.0002","23.5763","0.0003","76.5761","0.0005","76.9145","0.0005","80.9145","0.0005","4508.87","0.09","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C80 H83 B4 Cl16 F Fe2 N2 P4 -","- C80 H83 B4 Cl16 F Fe2 N2 P4 -","- C160 H166 B8 Cl32 F2 Fe4 N4 P8 -","2","1","","David A. Addy; Glesni A. Pierce; Dragoslav Vidovic; Dibyendu Mallick; Eluvathingal D. Jemmis; Jose M. Goicoechea; Simon Aldridge","Generation of Cationic Two-Coordinate Group-13 Ligand Systems by Spontaneous Halide Ejection: Remarkably Nucleophile-Resistant (Dimethylamino)borylene Complexes","Journal of the American Chemical Society","2010","132","","4586","4588","10.1021/ja101192e","","","0.71073","MoKα","","0.072","0.0551","","0.1459","0.1295","0.1459","","","","","","0.9206","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102223","31.455","0.0006","7.983","0.0002","18.2228","0.0004","90","","124.636","0.0011","90","","3764.89","0.15","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H25 Cl3 Fe O P2 -","- C13 H25 Cl3 Fe O P2 -","- C104 H200 Cl24 Fe8 O8 P16 -","8","1","","David A. Addy; Glesni A. Pierce; Dragoslav Vidovic; Dibyendu Mallick; Eluvathingal D. Jemmis; Jose M. Goicoechea; Simon Aldridge","Generation of Cationic Two-Coordinate Group-13 Ligand Systems by Spontaneous Halide Ejection: Remarkably Nucleophile-Resistant (Dimethylamino)borylene Complexes","Journal of the American Chemical Society","2010","132","","4586","4588","10.1021/ja101192e","","","0.71073","MoKα","","0.0753","0.0429","","0.0894","0.0789","0.0894","","","","","","0.952","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102224","16.3137","0.0002","11.816","0.0001","19.2319","0.0002","90","","109.689","0.0006","90","","3490.45","0.06","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H47 B2 Fe N P2 -","- C37 H47 B2 Fe N P2 -","- C148 H188 B8 Fe4 N4 P8 -","4","1","","David A. Addy; Glesni A. Pierce; Dragoslav Vidovic; Dibyendu Mallick; Eluvathingal D. Jemmis; Jose M. Goicoechea; Simon Aldridge","Generation of Cationic Two-Coordinate Group-13 Ligand Systems by Spontaneous Halide Ejection: Remarkably Nucleophile-Resistant (Dimethylamino)borylene Complexes","Journal of the American Chemical Society","2010","132","","4586","4588","10.1021/ja101192e","","","0.71073","MoKα","","0.066","0.0429","","0.1068","0.0968","0.1067","","","","","","0.9703","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102225","9.6979","0.0002","5.6619","0.0001","16.9349","0.0003","90","","95.952","0.001","90","","924.86","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 O5 S -","- C18 H24 O5 S -","- C36 H48 O10 S2 -","2","1","","Jianwei Sun; Gregory C. Fu","Phosphine-Catalyzed Formation of Carbon-Sulfur Bonds: Catalytic Asymmetric Synthesis of γ-Thioesters","Journal of the American Chemical Society","2010","132","","4568","4569","10.1021/ja101251d","","","1.54178","CuKα","","0.0259","0.0258","","","0.0658","0.0659","","","","","","1.049","","","","has coordinates,has disorder","178768","2020-10-21","18:00:00",""
"4102226","13.6501","0.0006","34.1296","0.0014","20.1054","0.0008","90","","99.195","0.001","90","","9246.2","0.7","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H98 Ag4 F24 N18 P4 -","- C72 H98 Ag4 F24 N18 P4 -","- C288 H392 Ag16 F96 N72 P16 -","4","1","","Arnab Rit; Tania Pape; F. Ekkehardt Hahn","Self-Assembly of Molecular Cylinders from Polycarbene Ligands and AgI or AuI","Journal of the American Chemical Society","2010","132","","4572","4573","10.1021/ja101490d","","","0.71073","MoKα","","0.0952","0.0508","","","0.1093","0.1287","","","","","","1.004","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102227","15.02","0.002","21.071","0.003","22.15","0.003","90","","90.546","0.002","90","","7009.9","1.7","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48.5 H60.5 Au3 F18 N13.5 O P3 -","- C48.5 H48 Au3 F18 N13.5 O P3 -","- C194 H192 Au12 F72 N54 O4 P12 -","4","1","","Arnab Rit; Tania Pape; F. Ekkehardt Hahn","Self-Assembly of Molecular Cylinders from Polycarbene Ligands and AgI or AuI","Journal of the American Chemical Society","2010","132","","4572","4573","10.1021/ja101490d","","","0.71073","MoKα","","0.0605","0.0392","","","0.1019","0.1135","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102228","10.072","","14.077","","11.528","","90","","108.1","","90","","1553.6","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs2 H5 O16 V5 -","- Cs2 H5 O16 V5 -","- Cs8 H20 O64 V20 -","4","1","","Lionel A. Truflandier; Florent Boucher; Christophe Payen; Redouane Hajjar; Yannick Millot; Christian Bonhomme; Nathalie Steunou","DFT-NMR Investigation and 51V 3QMAS Experiments for Probing Surface OH Ligands and the Hydrogen-Bond Network in a Polyoxovanadate Cluster: The Case of Cs4[H2V10O28].4H2O","Journal of the American Chemical Society","2010","132","","4653","4668","10.1021/ja908973y","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102229","9.323","0.0004","11.6735","0.0005","11.7514","0.0005","87.448","0.002","73.626","0.002","67.519","0.002","1130.92","0.09","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H32 N3 Pt -","- C25 H32 N3 Pt -","- C50 H64 N6 Pt2 -","2","1","","Joanna R. Webb; Aaron W. Pierpont; Colleen Munro-Leighton; T. Brent Gunnoe; Thomas R. Cundari; Paul D. Boyle","Net Hydrogenation of Pt-NHPh Bond Is Catalyzed by Elemental Pt","Journal of the American Chemical Society","2010","132","","4520","4521","10.1021/ja9102309","","","0.7107","MoKα","","0.043","0.0316","","","0.0605","0.0647","","","","","","1.001","","","","has coordinates,has disorder","178768","2020-10-21","18:00:00",""
"4102230","12.3661","0.0017","6.1734","0.0009","22.174","0.003","90","","98.769","0.002","90","","1673","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N3 O2 S -","- C18 H19 N3 O2 S -","- C72 H76 N12 O8 S4 -","4","1","","Shigeru Arai; Yuka Koike; Hirohiko Hada; Atsushi Nishida","Catalytic Dicyanative [4+2] Cycloaddition Triggered by Cyanopalladation of Conjugated Enynes under Aerobic Conditions","Journal of the American Chemical Society","2010","132","","4522","4523","10.1021/ja910451j","","","0.71073","MoKα","","0.0881","0.0474","","","0.0955","0.1091","","","","","","1.013","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102231","13.255","0.004","7.968","0.003","16.547","0.005","90","","101.148","0.005","90","","1714.6","1","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O2 S -","- C18 H19 N3 O2 S -","- C72 H76 N12 O8 S4 -","4","1","","Shigeru Arai; Yuka Koike; Hirohiko Hada; Atsushi Nishida","Catalytic Dicyanative [4+2] Cycloaddition Triggered by Cyanopalladation of Conjugated Enynes under Aerobic Conditions","Journal of the American Chemical Society","2010","132","","4522","4523","10.1021/ja910451j","","","0.71073","MoKα","","0.0903","0.0458","","","0.0744","0.0891","","","","","","0.98","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102232","33.311","0.006","33.311","0.006","7.6091","0.0018","90","","90","","90","","8443","3","93","2","93","0.2","","","","","","","","6","P 42/n :2","-P 4bc","86","","2-[2-(4,5-Dibromo-[1,3]dithiol-2-ylidene)-1,3-benzodithiol-5-yl]- 4,4,5,5-tetramethyl imidazoline-3-oxide-1-oxyl","","- C17 H15 Br2 N2 O2 S4 -","- C17 H15 Br2 N2 O2 S4 -","- C272 H240 Br32 N32 O32 S64 -","16","2","","Hideji Komatsu; Michio M. Matsushita; Shigefumi Yamamura; Yoko Sugawara; Kentaro Suzuki; Tadashi Sugawara","Influence of Magnetic Field upon the Conductance of a Unicomponent Crystal of a Tetrathiafulvalene-Based Nitronyl Nitroxide","Journal of the American Chemical Society","2010","132","","4528","4529","10.1021/ja9109538","","","0.71073","MoKα","","0.201","0.135","","","0.3503","0.3838","","","","","","1.118","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102233","9.9621","0.0002","11.4794","0.0003","21.7107","0.0006","90","","90","","90","","2482.81","0.11","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 O5 -","- C28 H32 N2 O5 -","- C112 H128 N8 O20 -","4","1","","Mujeeb Khan; Volker Enkelmann; Gunther Brunklaus","Crystal Engineering of Pharmaceutical Co-crystals: Application of Methyl Paraben as Molecular Hook","Journal of the American Chemical Society","2010","132","","5254","5263","10.1021/ja100146f","","","0.71073","MoKα","","0.0677","0.0374","","0.0567","0.0416","0.0416","","","","","","1.109","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102234","8.5337","0.0009","10.3702","0.0006","13.3899","0.0012","69.135","0.008","82.489","0.01","67.433","0.008","1022.44","0.17","143","1","143","1","","","","","","","","5","P 1","P 1","1","","","","- C24 H24 Br N O2 -","- C24 H24 Br N O2 -","- C48 H48 Br2 N2 O4 -","2","2","","Sebastian Rendler; David W. C. MacMillan","Enantioselective Polyene Cyclization via Organo-SOMO Catalysis","Journal of the American Chemical Society","2010","132","","5027","5029","10.1021/ja100185p","","","0.71073","MoKα","","0.0441","0.0408","","","0.0986","0.1036","","","","","","1.096","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102235","7.7406","0.0006","25.5147","0.0018","14.5225","0.0011","90","","91.63","0.003","90","","2867","0.4","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O -","- C17 H19 N O -","- C136 H152 N8 O8 -","8","4","","Sebastian Rendler; David W. C. MacMillan","Enantioselective Polyene Cyclization via Organo-SOMO Catalysis","Journal of the American Chemical Society","2010","132","","5027","5029","10.1021/ja100185p","","","0.71073","MoKα","","0.12","0.0838","","","0.1914","0.2158","","","","","","1.143","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102236","13.0078","0.0003","6.8941","0.0002","21.3275","0.0006","90","","91.374","0.002","90","","1912.04","0.09","153","1","153","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H31 N O3 -","- C23 H29 N O3 -","- C92 H116 N4 O12 -","4","1","","Sebastian Rendler; David W. C. MacMillan","Enantioselective Polyene Cyclization via Organo-SOMO Catalysis","Journal of the American Chemical Society","2010","132","","5027","5029","10.1021/ja100185p","","","1.54178","CuKα","","0.0528","0.0389","","","0.0957","0.1215","","","","","","1.143","","","","has coordinates,has disorder","178768","2020-10-21","18:00:00",""
"4102237","15.922","0.003","20.076","0.004","19.176","0.003","90","","121.573","0.01","90","","5222.3","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H40 B F20 N2 Pd -","- C55 H40 B F20 N2 Pd -","- C220 H160 B4 F80 N8 Pd4 -","4","1","","Changle Chen; Shuji Luo; Richard F. Jordan","Cationic Polymerization and Insertion Chemistry in the Reactions of Vinyl Ethers with (α-Diimine)PdMe+ Species","Journal of the American Chemical Society","2010","132","","5273","5284","10.1021/ja100491y","","","0.71073","MoKα","","0.0664","0.0435","","","0.0972","0.1042","","","","","","0.982","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102238","8.879","0.0004","20.7162","0.0007","24.1069","0.0008","90","","90","","90","","4434.2","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45.5 H59 Br2 O6 -","- C45.5 H59 Br2 O6 -","- C182 H236 Br8 O24 -","4","1","","Matthew A. Boone; Rongbiao Tong; Frank E. McDonald; Sheri Lense; Rui Cao; Kenneth I. Hardcastle","Biomimetic Syntheses from Squalene-Like Precursors: Synthesis of ent-Abudinol B and Reassessment of the Structure of Muzitone","Journal of the American Chemical Society","2010","132","","5300","5308","10.1021/ja1006806","","","1.54178","CuKα","","0.065","0.0553","","","0.1567","0.1651","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102239","13.2539","0.0017","7.4121","0.0009","16.7467","0.0018","90","","101.349","0.006","90","","1613","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H54 O6 -","- C34 H54 O6 -","- C68 H108 O12 -","2","1","","Matthew A. Boone; Rongbiao Tong; Frank E. McDonald; Sheri Lense; Rui Cao; Kenneth I. Hardcastle","Biomimetic Syntheses from Squalene-Like Precursors: Synthesis of ent-Abudinol B and Reassessment of the Structure of Muzitone","Journal of the American Chemical Society","2010","132","","5300","5308","10.1021/ja1006806","","","1.54178","CuKα","","0.098","0.0608","","","0.1614","0.2206","","","","","","1.131","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102240","16.924","0.014","7.236","0.006","39.64","0.03","90","","98.926","0.01","90","","4796","7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H56 N2 O12 -","- C44 H56 N2 O12 -","- C176 H224 N8 O48 -","4","2","","Matthew A. Boone; Rongbiao Tong; Frank E. McDonald; Sheri Lense; Rui Cao; Kenneth I. Hardcastle","Biomimetic Syntheses from Squalene-Like Precursors: Synthesis of ent-Abudinol B and Reassessment of the Structure of Muzitone","Journal of the American Chemical Society","2010","132","","5300","5308","10.1021/ja1006806","","","1.54178","CuKα","","0.2107","0.0905","","","0.1472","0.1804","","","","","","0.989","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102241","12.194","0.003","17.305","0.004","25.66","0.006","90","","90","","90","","5415","2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O4 -","- C30 H50 O4 -","- C240 H400 O32 -","8","2","","Matthew A. Boone; Rongbiao Tong; Frank E. McDonald; Sheri Lense; Rui Cao; Kenneth I. Hardcastle","Biomimetic Syntheses from Squalene-Like Precursors: Synthesis of ent-Abudinol B and Reassessment of the Structure of Muzitone","Journal of the American Chemical Society","2010","132","","5300","5308","10.1021/ja1006806","","","1.54178","CuKα","","0.2062","0.0803","","","0.0952","0.1295","","","","","","1.003","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102242","19.5887","0.0005","16.5221","0.0004","19.8902","0.0005","90","","90","","90","","6437.4","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H30 Fe0.5 N3 O4 P2 -","- C36 H30 Fe0.5 N3 O4 P2 -","- C288 H240 Fe4 N24 O32 P16 -","8","1","","Fu-Te Tsai; Pei-Lin Chen; Wen-Feng Liaw","Roles of the Distinct Electronic Structures of the {Fe(NO)2}9 and {Fe(NO)2}10 Dinitrosyliron Complexes in Modulating Nitrite Binding Modes and Nitrite Activation Pathways","Journal of the American Chemical Society","2010","132","","5290","5299","10.1021/ja100849r","","","0.71073","MoKα","","0.0938","0.0823","","","0.2351","0.2455","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102243","19.6091","0.0016","16.4478","0.0014","19.8447","0.0016","90","","90","","90","","6400.4","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H30 Fe0.5 N3.5 O4.5 P2 -","- C36 H30 Fe0.5 N3.5 O4.5 P2 -","- C288 H240 Fe4 N28 O36 P16 -","8","1","","Fu-Te Tsai; Pei-Lin Chen; Wen-Feng Liaw","Roles of the Distinct Electronic Structures of the {Fe(NO)2}9 and {Fe(NO)2}10 Dinitrosyliron Complexes in Modulating Nitrite Binding Modes and Nitrite Activation Pathways","Journal of the American Chemical Society","2010","132","","5290","5299","10.1021/ja100849r","","","0.71073","MoKα","","0.0998","0.0796","","","0.185","0.2003","","","","","","1.17","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102244","10.1353","0.0003","15.5214","0.0005","16.7544","0.0005","77.035","0.002","78.642","0.001","83.664","0.002","2512.16","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H49.5 Fe N5.5 O4 P3 -","- C57 H49.5 Fe N5.5 O4 P3 -","- C114 H99 Fe2 N11 O8 P6 -","2","1","","Fu-Te Tsai; Pei-Lin Chen; Wen-Feng Liaw","Roles of the Distinct Electronic Structures of the {Fe(NO)2}9 and {Fe(NO)2}10 Dinitrosyliron Complexes in Modulating Nitrite Binding Modes and Nitrite Activation Pathways","Journal of the American Chemical Society","2010","132","","5290","5299","10.1021/ja100849r","","","0.71073","MoKα","","0.0478","0.0408","","","0.1086","0.1163","","","","","","1.067","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102245","13.3838","0.0004","16.0477","0.0005","17.3339","0.0006","90","","90","","90","","3723","0.2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H18 Fe0.5 N1.5 O3 P -","- C20 H18 Fe0.5 N1.5 O3 P -","- C160 H144 Fe4 N12 O24 P8 -","8","1","","Fu-Te Tsai; Pei-Lin Chen; Wen-Feng Liaw","Roles of the Distinct Electronic Structures of the {Fe(NO)2}9 and {Fe(NO)2}10 Dinitrosyliron Complexes in Modulating Nitrite Binding Modes and Nitrite Activation Pathways","Journal of the American Chemical Society","2010","132","","5290","5299","10.1021/ja100849r","","","0.71073","MoKα","","0.0655","0.0505","","","0.1363","0.1573","","","","","","1.195","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102246","17.5116","0.0011","8.6269","0.0005","21.0769","0.0014","90","","104.229","0.003","90","","3086.4","0.3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 Cl2 Cu N O4 -","- C31 H39 Cl2 Cu N O4 -","- C124 H156 Cl8 Cu4 N4 O16 -","4","1","","James D. Crowley; Kevin D. Hänni; David A. Leigh; Alexandra M. Z. Slawin","Diels-Alder Active-Template Synthesis of Rotaxanes and Metal-Ion-Switchable Molecular Shuttles","Journal of the American Chemical Society","2010","132","","5309","5314","10.1021/ja101029u","","","0.71073","MoKα","","0.049","0.047","","","0.1098","0.1108","","","","","","1.229","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102247","13.0715","0.0009","15.7296","0.001","15.78","0.0009","70.911","0.004","75.535","0.004","81.991","0.005","2963","0.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H39 Cl2 N O4 Zn -","- C31 H39 Cl2 N O4 Zn -","- C124 H156 Cl8 N4 O16 Zn4 -","4","2","","James D. Crowley; Kevin D. Hänni; David A. Leigh; Alexandra M. Z. Slawin","Diels-Alder Active-Template Synthesis of Rotaxanes and Metal-Ion-Switchable Molecular Shuttles","Journal of the American Chemical Society","2010","132","","5309","5314","10.1021/ja101029u","","","0.71073","MoKα","","0.0576","0.0439","","","0.0938","0.1025","","","","","","1.019","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102248","18.1258","0.0018","15.0266","0.0014","14.6076","0.0015","90","","105.704","0.006","90","","3830.1","0.7","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H46 Cl2 N2 O5 Zn -","- C37.5 H42 Cl2 N2 O5 Zn -","- C150 H168 Cl8 N8 O20 Zn4 -","4","1","","James D. Crowley; Kevin D. Hänni; David A. Leigh; Alexandra M. Z. Slawin","Diels-Alder Active-Template Synthesis of Rotaxanes and Metal-Ion-Switchable Molecular Shuttles","Journal of the American Chemical Society","2010","132","","5309","5314","10.1021/ja101029u","","","0.71073","MoKα","","0.0978","0.088","","","0.1971","0.2039","","","","","","1.167","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102249","26.267","0.009","9.004","0.003","26.253","0.009","90","","90","","90","","6209","4","93","2","93","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H39 Cl2 N O2 S2 Zn -","- C31 H39 Cl2 N O2 S2 Zn -","- C248 H312 Cl16 N8 O16 S16 Zn8 -","8","1","","James D. Crowley; Kevin D. Hänni; David A. Leigh; Alexandra M. Z. Slawin","Diels-Alder Active-Template Synthesis of Rotaxanes and Metal-Ion-Switchable Molecular Shuttles","Journal of the American Chemical Society","2010","132","","5309","5314","10.1021/ja101029u","","","0.71073","MoKα","","0.1616","0.1293","","","0.3075","0.3398","","","","","","1.107","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102250","29.6016","0.0019","11.7105","0.0007","27.6057","0.0018","90","","113.03","0.002","90","","8806.8","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Na[Co(CNArMes2)4]","","","- C108 H120 Co N4 Na O2 -","- C108 H120 Co N4 Na O2 -","- C432 H480 Co4 N16 Na4 O8 -","4","0.5","","Grant W. Margulieux; Nils Weidemann; David C. Lacy; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Isocyano Analogues of [Co(CO)4]n: A Tetraisocyanide of Cobalt Isolated in Three States of Charge","Journal of the American Chemical Society","2010","132","","5033","5035","10.1021/ja1012382","","","0.71073","MoKα","","0.0783","0.0559","","","0.1076","0.1162","","","","","","1.097","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102251","14.3428","0.0012","42.211","0.004","20.2968","0.0017","90","","92.558","0.001","90","","12275.9","1.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[PPN][Co(CNArMes2)4]","","","- C148 H160 Co N5 O3 P2 -","- C148 H160 Co N5 O3 P2 -","- C592 H640 Co4 N20 O12 P8 -","4","1","","Grant W. Margulieux; Nils Weidemann; David C. Lacy; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Isocyano Analogues of [Co(CO)4]n: A Tetraisocyanide of Cobalt Isolated in Three States of Charge","Journal of the American Chemical Society","2010","132","","5033","5035","10.1021/ja1012382","","","0.71073","MoKα","","0.112","0.079","","","0.1884","0.2083","","","","","","1.074","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102252","29.708","0.01","11.863","0.004","27.485","0.009","90","","112.141","0.005","90","","8972","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Co(CNArMes2)4","","","- C108 H120 Co N4 O4 -","- C108 H120 Co N4 O4 -","- C432 H480 Co4 N16 O16 -","4","0.5","","Grant W. Margulieux; Nils Weidemann; David C. Lacy; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Isocyano Analogues of [Co(CO)4]n: A Tetraisocyanide of Cobalt Isolated in Three States of Charge","Journal of the American Chemical Society","2010","132","","5033","5035","10.1021/ja1012382","","","0.71073","MoKα","","0.1126","0.07","","","0.1245","0.141","","","","","","1.086","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102253","29.8149","0.0016","11.9653","0.0006","27.7566","0.0015","90","","111.712","0.004","90","","9199.5","0.9","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Co(CNArMes2)4","","","- C108 H120 Co N4 O4 -","- C108 H120 Co N4 O4 -","- C432 H480 Co4 N16 O16 -","4","0.5","","Grant W. Margulieux; Nils Weidemann; David C. Lacy; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Isocyano Analogues of [Co(CO)4]n: A Tetraisocyanide of Cobalt Isolated in Three States of Charge","Journal of the American Chemical Society","2010","132","","5033","5035","10.1021/ja1012382","","","1.54178","CuKα","","0.0913","0.0551","","","0.1367","0.1553","","","","","","1.019","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102254","29.707","0.003","11.866","0.0012","27.577","0.003","90","","111.978","0.007","90","","9014.5","1.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Co(CNArMes2)4","","","- C108 H120 Co N4 O4 -","- C108 H120 Co N4 O4 -","- C432 H480 Co4 N16 O16 -","4","0.5","","Grant W. Margulieux; Nils Weidemann; David C. Lacy; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Isocyano Analogues of [Co(CO)4]n: A Tetraisocyanide of Cobalt Isolated in Three States of Charge","Journal of the American Chemical Society","2010","132","","5033","5035","10.1021/ja1012382","","","1.54178","CuKα","","0.1088","0.0629","","","0.1441","0.1673","","","","","","1.02","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102255","26.924","0.017","15.161","0.009","31.86","0.02","90","","104.523","0.009","90","","12590","13","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Co(CNArMes2)4]BArF4","","","- C142 H136 B Co F24 N4 -","- C142 H136 B Co F24 N4 -","- C568 H544 B4 Co4 F96 N16 -","4","0.5","","Grant W. Margulieux; Nils Weidemann; David C. Lacy; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Isocyano Analogues of [Co(CO)4]n: A Tetraisocyanide of Cobalt Isolated in Three States of Charge","Journal of the American Chemical Society","2010","132","","5033","5035","10.1021/ja1012382","","","0.71073","MoKα","","0.1435","0.0776","","","0.1793","0.2168","","","","","","1.02","","","","has coordinates,has disorder","178768","2020-10-21","18:00:00",""
"4102256","14.959","0.004","20.543","0.005","31.517","0.008","90","","103.099","0.004","90","","9433","4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(THF)Co(CNArMes2)4]OTf","","","- C109 H118 Co F3 N4 O5 S -","- C109 H118 Co F3 N4 O5 S -","- C436 H472 Co4 F12 N16 O20 S4 -","4","1","","Grant W. Margulieux; Nils Weidemann; David C. Lacy; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Isocyano Analogues of [Co(CO)4]n: A Tetraisocyanide of Cobalt Isolated in Three States of Charge","Journal of the American Chemical Society","2010","132","","5033","5035","10.1021/ja1012382","","","0.71073","MoKα","","0.1878","0.08","","","0.148","0.1898","","","","","","1.019","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102257","13.024","0.003","13.024","0.003","16.759","0.004","90","","90","","90","","2842.7","1.1","100","2","100","2","","","","","","","","6","P 43","P 4cw","78","","","","- C30 H36 Cl2 N2 O2 S2 -","- C30 H36 Cl2 N2 O2 S2 -","- C120 H144 Cl8 N8 O8 S8 -","4","1","","Robert R. Knowles; Song Lin; Eric N. Jacobsen","Enantioselective Thiourea-Catalyzed Cationic Polycyclizations","Journal of the American Chemical Society","2010","132","","5030","5032","10.1021/ja101256v","","","0.71073","MoKα","","0.0417","0.0343","","","0.0771","0.0809","","","","","","1.036","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102258","6.953","0.003","10.796","0.005","13.61","0.006","90.786","0.008","104.123","0.007","98.754","0.007","977.8","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C36 H46 N2 O4 -","2","1","","Robert R. Knowles; Song Lin; Eric N. Jacobsen","Enantioselective Thiourea-Catalyzed Cationic Polycyclizations","Journal of the American Chemical Society","2010","132","","5030","5032","10.1021/ja101256v","","","0.71073","MoKα","","0.0863","0.0623","","","0.1582","0.1675","","","","","","1.042","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102259","6.9387","0.0014","14.503","0.003","15.6","0.003","90","","90","","90","","1569.9","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","1","","Robert R. Knowles; Song Lin; Eric N. Jacobsen","Enantioselective Thiourea-Catalyzed Cationic Polycyclizations","Journal of the American Chemical Society","2010","132","","5030","5032","10.1021/ja101256v","","","0.71073","MoKα","","0.0652","0.042","","","0.0822","0.0909","","","","","","1.019","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102260","17.071","0.006","9.127","0.003","22.864","0.008","90","","111.787","0.0011","90","","3308","2","150","","150","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H50 Si6 -","- C28 H50 Si6 -","- C112 H200 Si24 -","4","1","","Takashi Abe; Takeaki Iwamoto; Mitsuo Kira","A Stable 1,2-Disilacyclohexene and Its 14-Electron Palladium(0) Complex","Journal of the American Chemical Society","2010","132","","5008","5009","10.1021/ja101654b","","","0.7107","MoKα","","0.0563","0.0534","","","0.1129","0.1144","","","","","","1.227","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102261","11.231","0.002","20.76","0.004","22.617","0.005","90","","99.409","0.002","90","","5202.3","1.8","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H83 P Pd Si6 -","- C46 H83 P Pd Si6 -","- C184 H332 P4 Pd4 Si24 -","4","1","","Takashi Abe; Takeaki Iwamoto; Mitsuo Kira","A Stable 1,2-Disilacyclohexene and Its 14-Electron Palladium(0) Complex","Journal of the American Chemical Society","2010","132","","5008","5009","10.1021/ja101654b","","","0.71073","MoKα","","0.0345","0.0258","","","0.0635","0.0701","","","","","","1.058","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102262","6.0138","0.0001","23.3983","0.0004","17.9273","0.0003","90","","93.199","0.001","90","","2518.67","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C120 H120 O24 -","6","3","","Sha Lou; Gregory C. Fu","Enantioselective Alkenylation via Nickel-Catalyzed Cross-Coupling with Organozirconium Reagents","Journal of the American Chemical Society","2010","132","","5010","5011","10.1021/ja1017046","","","1.54178","CuKα","","0.035","0.032","","","0.0804","0.0827","","","","","","1.029","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102263","10.3237","0.0016","10.8233","0.0016","11.7218","0.0018","95.244","0.004","113.624","0.004","113.405","0.004","1051.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","JMH1X207","mayer22","","- C18 H21 F3 N4 O4 Pt S -","- C18 H21 F3 N4 O4 Pt S -","- C36 H42 F6 N8 O8 Pt2 S2 -","2","1","","Jessica M. Hoover; Antonio DiPasquale; James M. Mayer; Forrest E. Michael","Platinum-Catalyzed Intramolecular Hydrohydrazination: Evidence for Alkene Insertion into a Pt-N Bond","Journal of the American Chemical Society","2010","132","","5043","5053","10.1021/ja906563z","","","1.54178","CuKα","","0.0277","0.027","","","0.0663","0.0693","","","","","","1.061","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102264","7.1149","0.0001","8.7177","0.0002","9.2105","0.0002","90.52","0.001","109.281","0.001","91.873","0.001","538.836","0.019","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H26 Cl2 N4 O2 Sn -","- C18 H26 Cl2 N4 O2 Sn -","- C18 H26 Cl2 N4 O2 Sn -","1","0.5","","Gang Wu; Jianfeng Zhu; Xin Mo; Ruiyao Wang; Victor Terskikh","Solid-State 17O NMR and Computational Studies of C-Nitrosoarene Compounds","Journal of the American Chemical Society","2010","132","","5143","5155","10.1021/ja909656w","","","0.71073","MoKα","","0.0153","0.0151","","","0.0374","0.0375","","","","","","1.066","","","","has coordinates,has disorder","178768","2020-10-21","18:00:00",""
"4102265","8.4338","0.0002","22.7228","0.0006","10.7268","0.0003","90","","97.729","0.002","90","","2037","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Cl4 N O5 -","- C18 H21 Cl4 N O5 -","- C72 H84 Cl16 N4 O20 -","4","1","","Carles Giró Mañas; Victoria L. Paddock; Christian G. Bochet; Alan C. Spivey; Andrew J. P. White; Inderjit Mann; Wolfgang Oppolzer","Total Synthesis of the Lycorenine-Type Amaryllidaceae Alkaloid (\±)-Clivonine via a Biomimetic Ring-Switch from a Lycorine-Type Progenitor","Journal of the American Chemical Society","2010","132","","5176","5178","10.1021/ja910184j","","","0.71073","MoKα","","0.0781","0.0467","","","0.1111","0.1206","","","","","","1.008","","","","has coordinates,has disorder","178768","2020-10-21","18:00:00",""
"4102266","37.859","0.004","9.7245","0.001","23.612","0.002","90","","111.508","0.005","90","","8087.7","1.4","190","2","190","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H42 B Cl3 Co N6 S3 -","- C34 H42 B Cl3 Co N6 S3 -","- C272 H336 B8 Cl24 Co8 N48 S24 -","8","1","","J. Krzystek; Dale C. Swenson; S. A. Zvyagin; Dmitry Smirnov; Andrew Ozarowski; Joshua Telser","Cobalt(II) ""Scorpionate"" Complexes as Models for Cobalt-Substituted Zinc Enzymes: Electronic Structure Investigation by High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopy","Journal of the American Chemical Society","2010","132","","5241","5253","10.1021/ja910766w","","","0.71069","MoKα","","0.0963","0.0585","","","0.1449","0.1622","","","","","","1.062","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102267","9.8456","0.001","27.114","0.003","14.127","0.0014","90","","92.325","0.005","90","","3768.1","0.7","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 B Co N7 S4 -","- C34 H40 B Co N7 S4 -","- C136 H160 B4 Co4 N28 S16 -","4","1","","J. Krzystek; Dale C. Swenson; S. A. Zvyagin; Dmitry Smirnov; Andrew Ozarowski; Joshua Telser","Cobalt(II) ""Scorpionate"" Complexes as Models for Cobalt-Substituted Zinc Enzymes: Electronic Structure Investigation by High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopy","Journal of the American Chemical Society","2010","132","","5241","5253","10.1021/ja910766w","","","0.71069","MoKα","","0.0687","0.0387","","","0.0841","0.0934","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102268","10.0557","0.001","16.0979","0.0016","15.8729","0.0016","90","","91.405","0.005","90","","2568.7","0.4","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 B Co N7 O -","- C22 H34 B Co N7 O -","- C88 H136 B4 Co4 N28 O4 -","4","1","","J. Krzystek; Dale C. Swenson; S. A. Zvyagin; Dmitry Smirnov; Andrew Ozarowski; Joshua Telser","Cobalt(II) ""Scorpionate"" Complexes as Models for Cobalt-Substituted Zinc Enzymes: Electronic Structure Investigation by High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopy","Journal of the American Chemical Society","2010","132","","5241","5253","10.1021/ja910766w","","","0.71073","MoKα","","0.1036","0.0478","","","0.0852","0.0993","","","","","","1.014","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102269","10.1577","0.0011","15.8814","0.0017","15.8027","0.0017","90","","91.186","0.005","90","","2548.7","0.5","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 B Co N9 -","- C21 H34 B Co N9 -","- C84 H136 B4 Co4 N36 -","4","1","","J. Krzystek; Dale C. Swenson; S. A. Zvyagin; Dmitry Smirnov; Andrew Ozarowski; Joshua Telser","Cobalt(II) ""Scorpionate"" Complexes as Models for Cobalt-Substituted Zinc Enzymes: Electronic Structure Investigation by High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopy","Journal of the American Chemical Society","2010","132","","5241","5253","10.1021/ja910766w","","","0.71069","MoKα","","0.0497","0.0365","","","0.0903","0.0957","","","","","","1.114","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102270","15.9843","0.0017","15.9843","0.0017","9.4269","0.001","90","","90","","120","","2085.9","0.4","190","2","190","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- C24 H40 B Cl Co N6 -","- C24 H40 B Cl Co N6 -","- C72 H120 B3 Cl3 Co3 N18 -","3","0.166667","","J. Krzystek; Dale C. Swenson; S. A. Zvyagin; Dmitry Smirnov; Andrew Ozarowski; Joshua Telser","Cobalt(II) ""Scorpionate"" Complexes as Models for Cobalt-Substituted Zinc Enzymes: Electronic Structure Investigation by High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopy","Journal of the American Chemical Society","2010","132","","5241","5253","10.1021/ja910766w","","","0.71073","MoKα","","0.0246","0.0231","","","0.0552","0.056","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102271","9.6545","0.0011","17.4408","0.0018","17.9183","0.0018","90","","98.059","0.005","90","","2987.3","0.5","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H40 B Co N7 S -","- C25 H40 B Co N7 S -","- C100 H160 B4 Co4 N28 S4 -","4","1","","J. Krzystek; Dale C. Swenson; S. A. Zvyagin; Dmitry Smirnov; Andrew Ozarowski; Joshua Telser","Cobalt(II) ""Scorpionate"" Complexes as Models for Cobalt-Substituted Zinc Enzymes: Electronic Structure Investigation by High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopy","Journal of the American Chemical Society","2010","132","","5241","5253","10.1021/ja910766w","","","0.71073","MoKα","","0.0918","0.0434","","","0.0857","0.1011","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102272","10.4823","0.0011","17.0139","0.0018","16.0436","0.0017","90","","91.101","0.005","90","","2860.8","0.5","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H40 B Co N7 O -","- C25 H40 B Co N7 O -","- C100 H160 B4 Co4 N28 O4 -","4","1","","J. Krzystek; Dale C. Swenson; S. A. Zvyagin; Dmitry Smirnov; Andrew Ozarowski; Joshua Telser","Cobalt(II) ""Scorpionate"" Complexes as Models for Cobalt-Substituted Zinc Enzymes: Electronic Structure Investigation by High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopy","Journal of the American Chemical Society","2010","132","","5241","5253","10.1021/ja910766w","","","0.71073","MoKα","","0.0778","0.0436","","","0.0969","0.1106","","","","","","1.031","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102273","10.5385","0.0012","19.126","0.002","15.7062","0.0017","90","","90.437","0.005","90","","3165.6","0.6","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H44 B Co N9 -","- C27.5 H44 B Co N9 -","- C110 H176 B4 Co4 N36 -","4","1","","J. Krzystek; Dale C. Swenson; S. A. Zvyagin; Dmitry Smirnov; Andrew Ozarowski; Joshua Telser","Cobalt(II) ""Scorpionate"" Complexes as Models for Cobalt-Substituted Zinc Enzymes: Electronic Structure Investigation by High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopy","Journal of the American Chemical Society","2010","132","","5241","5253","10.1021/ja910766w","","","0.71073","MoKα","","0.0701","0.0457","","","0.105","0.1168","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102274","9.686","0.0012","11.3379","0.0015","24.442","0.003","87.917","0.003","82.601","0.003","89.81","0.004","2660.1","0.6","93.1","","93.1","","","","","","","","","7","P 1","P 1","1","","","","- C109 H106.7 Cu2 F12 N10 O16.35 S4 -","- C109 H98 Cu2 F12 N10 O16.35 S4 -","- C109 H98 Cu2 F12 N10 O16.35 S4 -","1","1","","Takayoshi Arai; Asami Mishiro; Naota Yokoyama; Kuniko Suzuki; Hiroyasu Sato","Chiral Bis(imidazolidine)pyridine-Cu(OTf)2: Catalytic Asymmetric Endo-Selective [3 + 2] Cycloaddition of Imino Esters with Nitroalkenes","Journal of the American Chemical Society","2010","132","","5338","5339","10.1021/ja100265j","","","0.71075","MoKα","","","0.0558","","","","0.1581","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102275","3.5979","0.0019","9.064","0.005","14.452","0.008","75.267","0.013","83.602","0.009","87.354","0.009","452.9","0.4","","","298","3","","","","","","","","4","P 1","P 1","1","","","","- P Rb S6 Zr -","- P Rb S6 Zr -","- P2 Rb2 S12 Zr2 -","2","2","","Santanu Banerjee; Jodi M. Szarko; Benjamin D. Yuhas; Christos D. Malliakas; Lin X. Chen; Mercouri G. Kanatzidis","Room Temperature Light Emission from the Low-Dimensional Semiconductors AZrPS6 (A = K, Rb, Cs)","Journal of the American Chemical Society","2010","132","","5348","5350","10.1021/ja1004653","","","0.4428","synchrotron","","0.0949","0.0835","","","0.1786","0.1871","","","","1.71","1.71","1.62","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102276","11.851","0.003","11.134","0.003","18.831","0.004","90","","99.882","0.004","90","","2447.9","1","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Br3 In O3 P -","- C21 H21 Br3 In O3 P -","- C84 H84 Br12 In4 O12 P4 -","4","1","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0789","0.0573","","","0.1484","0.1637","","","","","","1.034","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102277","12.8528","0.0014","12.8528","0.0014","8.5383","0.0018","90","","90","","120","","1221.5","0.3","193","2","193","2","","","","","","","","6","P -3","-P 3","147","","","","- C21 H21 Br3 In O3 P -","- C21 H21 Br3 In O3 P -","- C42 H42 Br6 In2 O6 P2 -","2","0.333333","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0279","0.0238","","","0.0592","0.0613","","","","","","1.06","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102278","11.831","0.0007","18.4922","0.0011","19.0997","0.0012","110.516","0.0008","105.019","0.0009","104.38","0.0009","3504.2","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Br3 In P2 -","- C36 H30 Br3 In P2 -","- C144 H120 Br12 In4 P8 -","4","2","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0566","0.0332","","","0.0636","0.0701","","","","","","0.994","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102279","10.7486","0.0006","12.3701","0.0007","13.4953","0.0008","104.477","0.0008","104.014","0.0007","101.582","0.0008","1619.14","0.16","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 Br3 In O9 P -","- C27 H33 Br3 In O9 P -","- C54 H66 Br6 In2 O18 P2 -","2","1","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0308","0.0267","","","0.0678","0.0694","","","","","","1.052","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102280","9.0867","0.0008","18.0965","0.0015","13.9402","0.0012","90","","91.719","0.001","90","","2291.3","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Cl3 In O3 P -","- C21 H21 Cl3 In O3 P -","- C84 H84 Cl12 In4 O12 P4 -","4","1","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0223","0.0206","","","0.0566","0.0578","","","","","","1.121","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102281","25.1006","0.0017","15.0311","0.001","22.0125","0.0015","90","","92.449","0.001","90","","8297.5","1","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Cl3 In O6 P2 -","- C42 H42 Cl3 In O6 P2 -","- C336 H336 Cl24 In8 O48 P16 -","8","1","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0647","0.0411","","","0.0941","0.1045","","","","","","0.998","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102282","17.9666","0.001","17.1784","0.001","22.5151","0.0013","90","","90","","90","","6949","0.7","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H30 Cl3 In P2 -","- C36 H30 Cl3 In P2 -","- C288 H240 Cl24 In8 P16 -","8","1","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0358","0.0289","","","0.0703","0.0755","","","","","","1.068","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102283","14.5207","0.0008","14.5207","0.0008","20.52","0.002","90","","90","","90","","4326.7","0.5","193","2","193","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C42.5 H43 Cl4 In O6 P2 -","- C42.5 H43 Cl4 In O6 P2 -","- C170 H172 Cl16 In4 O24 P8 -","4","0.5","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0818","0.0645","","","0.1536","0.1627","","","","","","1.115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102284","13.6759","0.0017","23.23","0.003","8.6375","0.0011","90","","101.575","0.0016","90","","2688.3","0.6","193","2","193","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H21 I3 In O3 P -","- C21 H21 I3 In O3 P -","- C84 H84 I12 In4 O12 P4 -","4","1","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0485","0.0425","","","0.1037","0.1072","","","","","","1.071","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102285","22.9187","0.0005","22.9187","0.0005","61.6463","0.0012","90","","90","","120","","28042.6","1","296.1","","296.1","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C68 H72 Cl2 Cu2 P4 -","- C68 H72 Cl2 Cu2 P4 -","- C1224 H1296 Cl36 Cu36 P72 -","18","1.5","","Ryo Yazaki; Naoya Kumagai; Masakatsu Shibasaki","Direct Catalytic Asymmetric Addition of Allyl Cyanide to Ketones via Soft Lewis Acid/Hard Brønsted Base/Hard Lewis Base Catalysis","Journal of the American Chemical Society","2010","132","","5522","5531","10.1021/ja101687p","","","1.54187","CuKα","","","0.1176","","","","0.342","","","","","","1.629","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102286","24.069","0.003","5.1082","0.0006","17.486","0.002","90","0.002","108.292","0.002","90","0.002","2041.3","0.4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N2 O2 Se -","- C26 H20 N2 O2 Se -","- C104 H80 N8 O8 Se4 -","4","0.5","","Bani Kanta Sarma; Debasish Manna; Mao Minoura; Govindasamy Mugesh","Synthesis, Structure, Spirocyclization Mechanism, and Glutathione Peroxidase-like Antioxidant Activity of Stable Spirodiazaselenurane and Spirodiazatellurane","Journal of the American Chemical Society","2010","132","","5364","5374","10.1021/ja908080u","","","0.71073","MoKα","","0.0467","0.0365","","","0.0877","0.0926","","","","","","1.095","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102287","9.982","0.003","22.965","0.007","11.053","0.004","90","","105.729","0.005","90","","2438.9","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Cl2 N2 O2 Se -","- C27 H20 Cl2 N2 O2 Se -","- C108 H80 Cl8 N8 O8 Se4 -","4","1","","Bani Kanta Sarma; Debasish Manna; Mao Minoura; Govindasamy Mugesh","Synthesis, Structure, Spirocyclization Mechanism, and Glutathione Peroxidase-like Antioxidant Activity of Stable Spirodiazaselenurane and Spirodiazatellurane","Journal of the American Chemical Society","2010","132","","5364","5374","10.1021/ja908080u","","","0.71073","MoKα","","0.0651","0.038","","","0.0776","0.0896","","","","","","1.021","","","","has coordinates,has disorder","178768","2020-10-21","18:00:00",""
"4102288","9.9216","0.001","10.6161","0.001","19.8643","0.0019","90","","90","","90","","2092.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 N2 O2 Te -","- C26 H18 N2 O2 Te -","- C104 H72 N8 O8 Te4 -","4","1","","Bani Kanta Sarma; Debasish Manna; Mao Minoura; Govindasamy Mugesh","Synthesis, Structure, Spirocyclization Mechanism, and Glutathione Peroxidase-like Antioxidant Activity of Stable Spirodiazaselenurane and Spirodiazatellurane","Journal of the American Chemical Society","2010","132","","5364","5374","10.1021/ja908080u","","","0.71073","MoKα","","0.0647","0.0427","","","0.0644","0.0716","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102289","10.879","0.003","11.265","0.003","11.488","0.003","106.488","0.004","114.488","0.005","94.871","0.005","1195","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 N2 O2.5 Te -","- C28 H18 N2 O2.5 Te -","- C56 H36 N4 O5 Te2 -","2","1","","Bani Kanta Sarma; Debasish Manna; Mao Minoura; Govindasamy Mugesh","Synthesis, Structure, Spirocyclization Mechanism, and Glutathione Peroxidase-like Antioxidant Activity of Stable Spirodiazaselenurane and Spirodiazatellurane","Journal of the American Chemical Society","2010","132","","5364","5374","10.1021/ja908080u","","","0.71073","MoKα","","0.06","0.0464","","","0.1104","0.1175","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102290","9.9319","0.0006","10.6098","0.0006","19.8677","0.0012","90","","90","","90","","2093.6","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 N2 O2 Te -","- C26 H18 N2 O2 Te -","- C104 H72 N8 O8 Te4 -","4","1","","Bani Kanta Sarma; Debasish Manna; Mao Minoura; Govindasamy Mugesh","Synthesis, Structure, Spirocyclization Mechanism, and Glutathione Peroxidase-like Antioxidant Activity of Stable Spirodiazaselenurane and Spirodiazatellurane","Journal of the American Chemical Society","2010","132","","5364","5374","10.1021/ja908080u","","","0.71073","MoKα","","0.0931","0.058","","","0.0884","0.0993","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102291","5.8894","0.0001","8.3683","0.0001","34.8423","0.0004","90","","90","","90","","1717.18","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Br -","- C23 H19 Br -","- C92 H76 Br4 -","4","1","","Benoit Cardinal-David; Dustin E. A. Raup; Karl A. Scheidt","Cooperative N-Heterocyclic Carbene/Lewis Acid Catalysis for Highly Stereoselective Annulation Reactions with Homoenolates","Journal of the American Chemical Society","2010","132","","5345","5347","10.1021/ja910666n","","","0.71073","MoKα","","0.0349","0.0307","","","0.0818","0.0887","","","","","","1.122","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102292","4.986","0.0002","14.6944","0.0007","16.868","0.0008","90","","96.905","0.001","90","","1226.89","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N4 O6 -","- C28 H24 N4 O6 -","- C56 H48 N8 O12 -","2","0.5","","Yuewen Xu; Mark D. Smith; Michael F. Geer; Perry J. Pellechia; Julius C. Brown; Arief C. Wibowo; Linda S. Shimizu","Thermal Reaction of a Columnar Assembled Diacetylene Macrocycle","Journal of the American Chemical Society","2010","132","","5334","5335","10.1021/ja9107066","","","0.71073","MoKα","","0.0488","0.0418","","","0.1047","0.1102","","","","","","1.035","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102293","5.1523","0.0014","8.571","0.003","26.799","0.007","90","","90","","90","","1183.5","0.6","125.1","","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Te2 -","- C12 H10 Te2 -","- C48 H40 Te8 -","4","1","","Amy L. Fuller; Lindesay A. S. Scott-Hayward; Yang Li; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Automated Chemical Crystallography","Journal of the American Chemical Society","2010","132","","5799","5802","10.1021/ja100247y","","","0.7107","MoKα","","","0.0253","","","","0.0603","","","","","","1.104","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102294","5.5401","0.0011","8.0864","0.0018","23.478","0.005","90","","90","","90","","1051.8","0.4","125.1","","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 S2 -","- C12 H10 S2 -","- C48 H40 S8 -","4","1","","Amy L. Fuller; Lindesay A. S. Scott-Hayward; Yang Li; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Automated Chemical Crystallography","Journal of the American Chemical Society","2010","132","","5799","5802","10.1021/ja100247y","","","0.71075","MoKα","","","0.0723","","","","0.172","","","","","","1.108","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102295","5.5363","0.0007","8.0793","0.0011","23.483","0.003","90","","90","","90","","1050.4","0.2","125.1","","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 S2 -","- C12 H10 S2 -","- C48 H40 S8 -","4","1","","Amy L. Fuller; Lindesay A. S. Scott-Hayward; Yang Li; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Automated Chemical Crystallography","Journal of the American Chemical Society","2010","132","","5799","5802","10.1021/ja100247y","","","0.71075","MoKα","","","0.0293","","","","0.0646","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102296","5.5699","0.0019","8.238","0.003","23.826","0.007","90","","90","","90","","1093.3","0.6","125.1","","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Se2 -","- C12 H10 Se2 -","- C48 H40 Se8 -","4","1","","Amy L. Fuller; Lindesay A. S. Scott-Hayward; Yang Li; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Automated Chemical Crystallography","Journal of the American Chemical Society","2010","132","","5799","5802","10.1021/ja100247y","","","0.7107","MoKα","","","0.0334","","","","0.1014","","","","","","1.224","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102297","5.5878","0.0011","8.2521","0.0017","23.907","0.005","90","","90","","90","","1102.4","0.4","125.1","","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Se2 -","- C12 H10 Se2 -","- C48 H40 Se8 -","4","1","","Amy L. Fuller; Lindesay A. S. Scott-Hayward; Yang Li; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Automated Chemical Crystallography","Journal of the American Chemical Society","2010","132","","5799","5802","10.1021/ja100247y","","","0.71075","MoKα","","","0.0408","","","","0.0806","","","","","","1.146","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102298","5.1563","0.0008","8.5809","0.0013","26.784","0.004","90","","90","","90","","1185.1","0.3","125.1","","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Te2 -","- C12 H10 Te2 -","- C48 H40 Te8 -","4","1","","Amy L. Fuller; Lindesay A. S. Scott-Hayward; Yang Li; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Automated Chemical Crystallography","Journal of the American Chemical Society","2010","132","","5799","5802","10.1021/ja100247y","","","0.7107","MoKα","","","0.031","","","","0.1032","","","","","","1.124","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102299","7.7646","0.0002","7.7646","0.0002","7.7646","0.0002","90","","90","","90","","468.12","0.02","273","2","273","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au19.4 Bi0.6 Ca4 -","- Au19.4 Bi0.6 Ca4 -","- Au19.4 Bi0.6 Ca4 -","1","0.0104167","","Qisheng Lin; John D. Corbett","Multiple Nonstoichiometric Phases with Discrete Composition Ranges in the CaAu5-CaAu4Bi-BiAu2 System. A Case Study of the Chemistry of Spinodal Decomposition","Journal of the American Chemical Society","2010","132","","5662","5671","10.1021/ja100250d","","","0.71073","MoKα","","0.02","0.02","","","0.0414","0.0414","","","","","","1.24","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102300","7.8246","0.0002","7.8246","0.0002","7.8246","0.0002","90","","90","","90","","479.06","0.02","273","2","273","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au9.34 Bi0.66 Ca2 -","- Au9.34 Bi0.66 Ca2 -","- Au18.68 Bi1.32 Ca4 -","2","0.0208333","","Qisheng Lin; John D. Corbett","Multiple Nonstoichiometric Phases with Discrete Composition Ranges in the CaAu5-CaAu4Bi-BiAu2 System. A Case Study of the Chemistry of Spinodal Decomposition","Journal of the American Chemical Society","2010","132","","5662","5671","10.1021/ja100250d","","","0.71073","MoKα","","0.0174","0.0174","","","0.0348","0.0348","","","","","","1.112","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102301","7.9199","0.0002","7.9199","0.0002","7.9199","0.0002","90","","90","","90","","496.77","0.02","273","2","273","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au8.18 Bi1.82 Ca2 -","- Au8.18 Bi1.82 Ca2 -","- Au16.36 Bi3.64 Ca4 -","2","0.0208333","","Qisheng Lin; John D. Corbett","Multiple Nonstoichiometric Phases with Discrete Composition Ranges in the CaAu5-CaAu4Bi-BiAu2 System. A Case Study of the Chemistry of Spinodal Decomposition","Journal of the American Chemical Society","2010","132","","5662","5671","10.1021/ja100250d","","","0.71073","MoKα","","0.0136","0.0136","","","0.0332","0.0332","","","","","","1.127","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102302","7.9046","0.0002","7.9046","0.0002","7.9046","0.0002","90","","90","","90","","493.9","0.02","273","2","273","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au16 Bi4.78 Ca3.22 -","- Au16 Bi4.784 Ca3.216 -","- Au16 Bi4.784 Ca3.216 -","1","0.0104167","","Qisheng Lin; John D. Corbett","Multiple Nonstoichiometric Phases with Discrete Composition Ranges in the CaAu5-CaAu4Bi-BiAu2 System. A Case Study of the Chemistry of Spinodal Decomposition","Journal of the American Chemical Society","2010","132","","5662","5671","10.1021/ja100250d","","","0.71073","MoKα","","0.0169","0.0169","","","0.0383","0.0383","","","","","","1.153","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102303","7.9505","0.0002","7.9505","0.0002","7.9505","0.0002","90","","90","","90","","502.55","0.02","273","2","273","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au8 Bi2.64 Ca1.36 -","- Au8 Bi2.644 Ca1.356 -","- Au16 Bi5.288 Ca2.712 -","2","0.0208333","","Qisheng Lin; John D. Corbett","Multiple Nonstoichiometric Phases with Discrete Composition Ranges in the CaAu5-CaAu4Bi-BiAu2 System. A Case Study of the Chemistry of Spinodal Decomposition","Journal of the American Chemical Society","2010","132","","5662","5671","10.1021/ja100250d","","","0.71073","MoKα","","0.0238","0.0234","","","0.0457","0.0461","","","","","","1.163","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102304","9.6816","0.0006","11.846","0.0007","14.882","0.0009","84.421","0.001","75.462","0.001","68.009","0.001","1531.93","0.16","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H24 O4 -","- C16 H24 O4 -","- C64 H96 O16 -","4","2","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.069","0.0552","","","0.1398","0.1486","","","","","","1.031","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102305","6.9923","0.0004","28.3844","0.0018","8.1995","0.0005","90","","91.323","0.002","90","","1626.94","0.17","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O7 -","- C17 H16 N2 O7 -","- C68 H64 N8 O28 -","4","1","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.062","0.0491","","","0.1314","0.1391","","","","","","1.065","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102306","11.1282","0.0004","25.3958","0.001","12.4272","0.0005","90","","93.902","0.001","90","","3503.9","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O8 -","- C18 H18 N2 O8 -","- C144 H144 N16 O64 -","8","2","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.0548","0.0457","","","0.1235","0.1303","","","","","","1.05","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102307","8.6807","0.0005","12.2715","0.0008","12.4359","0.0008","80.749","0.002","73.924","0.002","81.848","0.002","1249.75","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H32 N2 O8 -","- C25 H32 N2 O8 -","- C50 H64 N4 O16 -","2","1","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.0654","0.0535","","","0.1438","0.1525","","","","","","1.047","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102308","7.4447","0.0004","11.7593","0.0007","12.3555","0.0007","108.336","0.001","104.011","0.001","100.246","0.001","957.54","0.09","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N2 O9 -","- C19 H20 N2 O9 -","- C38 H40 N4 O18 -","2","1","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.0557","0.0497","","","0.1288","0.1334","","","","","","1.045","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102309","7.039","0.0006","24.783","0.002","13.5449","0.0012","90","","100.26","0.002","90","","2325.1","0.3","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N3 O9 -","- C25 H23 N3 O9 -","- C100 H92 N12 O36 -","4","1","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.0671","0.0493","","","0.1259","0.1355","","","","","","1.062","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102310","7.8202","0.0004","11.1046","0.0005","15.2948","0.0007","102.786","0.001","93.96","0.001","103.068","0.001","1251.77","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N3 O11 -","- C27 H27 N3 O11 -","- C54 H54 N6 O22 -","2","1","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.0469","0.0429","","","0.1146","0.1176","","","","","","1.038","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102311","7.6819","0.0006","12.8663","0.0009","15.3441","0.0011","70.197","0.001","84.768","0.002","76.122","0.002","1385.15","0.18","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N3 O12 -","- C28 H29 N3 O12 -","- C56 H58 N6 O24 -","2","1","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.0765","0.0559","","","0.1378","0.1497","","","","","","1.017","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102312","6.8316","0.0008","15.8889","0.0018","16.43","0.0018","83.062","0.002","78.939","0.003","87.588","0.002","1737.1","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H43 N3 O12 -","- C35 H43 N3 O12 -","- C70 H86 N6 O24 -","2","1","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.084","0.0643","","","0.1517","0.1628","","","","","","1.121","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102313","8.0316","0.001","13.8306","0.0017","15.0009","0.0018","109.279","0.002","93.852","0.002","106.744","0.002","1481.7","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 N4 O11 -","- C33 H30 N4 O11 -","- C66 H60 N8 O22 -","2","1","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.103","0.0616","","","0.1287","0.1457","","","","","","1.002","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102314","12.1198","0.0006","13.1343","0.0006","13.7022","0.0006","107.878","0.001","108.158","0.001","95.126","0.001","1930.76","0.16","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H37 N5 O13 -","- C41 H37 N5 O13 -","- C82 H74 N10 O26 -","2","1","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.0915","0.0603","","","0.1375","0.1523","","","","","","1.047","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102315","11.276","0.002","12.301","0.003","16.564","0.003","90.388","0.006","94.562","0.005","105.3","0.005","2208.2","0.8","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H44 N6 O15 -","- C49 H44 N6 O15 -","- C98 H88 N12 O30 -","2","1","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.1337","0.0868","","","0.1907","0.2159","","","","","","1.057","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102316","5.6763","0.0008","17.997","0.003","22.844","0.003","90","","90","","90","","2333.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Br O2 P -","- C27 H22 Br O2 P -","- C108 H88 Br4 O8 P4 -","4","1","","Jian-Jun Feng; Xue-Feng Chen; Min Shi; Wei-Liang Duan","Palladium-Catalyzed Asymmetric Addition of Diarylphosphines to Enones toward the Synthesis of Chiral Phosphines","Journal of the American Chemical Society","2010","132","","5562","5563","10.1021/ja100606v","","","0.71073","MoKα","","0.071","0.0444","","","0.0853","0.0906","","","","","","0.892","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102317","11.309","0.002","24.952","0.005","21.872","0.004","90","","99.339","0.003","90","","6090","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C76 H78 O4 Zr -","- C76 H78 O4 Zr -","- C304 H312 O16 Zr4 -","4","1","","Elizabeth T. Kiesewetter; Sören Randoll; Madalyn Radlauer; Robert M. Waymouth","Stereospecific Octahedral Group 4 Bis(phenolate) Ether Complexes for Olefin Polymerization","Journal of the American Chemical Society","2010","132","","5566","5567","10.1021/ja100627x","","","0.71073","MoKα","","0.0651","0.0483","","","0.1141","0.1233","","","","","","1.031","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102318","11.2966","0.0015","24.95","0.003","22.016","0.003","90","","99.698","0.002","90","","6116.5","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C76 H78 Hf O4 -","- C76 H78 Hf O4 -","- C304 H312 Hf4 O16 -","4","1","","Elizabeth T. Kiesewetter; Sören Randoll; Madalyn Radlauer; Robert M. Waymouth","Stereospecific Octahedral Group 4 Bis(phenolate) Ether Complexes for Olefin Polymerization","Journal of the American Chemical Society","2010","132","","5566","5567","10.1021/ja100627x","","","0.71073","MoKα","","0.0448","0.0329","","","0.078","0.0837","","","","","","1.024","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4102319","35.413","0.003","22.233","0.003","19.854","0.005","90","","90","","90","","15632","5","233","2","233","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C79 H89 Cs N5 O12 -","- C76 H80 Cs N5 O9 -","- C608 H640 Cs8 N40 O72 -","8","1","","Sung Kuk Kim; Jonathan L. Sessler; Dustin E. Gross; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Laetitia H. Delmau; Benjamin P. Hay","A Calix[4]arene Strapped Calix[4]pyrrole: An Ion-Pair Receptor Displaying Three Different Cesium Cation Recognition Modes","Journal of the American Chemical Society","2010","132","","5827","5836","10.1021/ja100715e","","","0.71069","MoKα","","0.3155","0.103","","","0.1654","0.1939","","","","","","1.129","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102320","13.4993","0.0002","26.0185","0.0007","19.6409","0.0005","90","0.005","100.663","0.002","90","0.005","6779.4","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H86 Cs F N4 O8 -","- C77 H86 Cs F N4 O8 -","- C308 H344 Cs4 F4 N16 O32 -","4","1","","Sung Kuk Kim; Jonathan L. Sessler; Dustin E. Gross; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Laetitia H. Delmau; Benjamin P. Hay","A Calix[4]arene Strapped Calix[4]pyrrole: An Ion-Pair Receptor Displaying Three Different Cesium Cation Recognition Modes","Journal of the American Chemical Society","2010","132","","5827","5836","10.1021/ja100715e","","","0.71073","MoKα","","0.0803","0.0418","","","0.0839","0.0973","","","","","","1.019","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102321","18.449","0.002","21.316","0.003","22.059","0.003","61.593","0.002","78.297","0.003","74.265","0.003","7316.4","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C154 H175.5 Cl2 Cs2 N8.5 O18 -","- C154 H165.5 Cl2 Cs2 N8.5 O15 -","- C308 H331 Cl4 Cs4 N17 O30 -","2","1","","Sung Kuk Kim; Jonathan L. Sessler; Dustin E. Gross; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Laetitia H. Delmau; Benjamin P. Hay","A Calix[4]arene Strapped Calix[4]pyrrole: An Ion-Pair Receptor Displaying Three Different Cesium Cation Recognition Modes","Journal of the American Chemical Society","2010","132","","5827","5836","10.1021/ja100715e","","","0.71069","MoKα","","0.1865","0.105","","","0.1873","0.2058","","","","","","1.363","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102322","10.5877","0.0005","17.6496","0.0008","35.4397","0.0013","90","","95.51","0.002","90","","6592","0.5","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C78 H88 N4 O8 -","- C78 H88 N4 O8 -","- C312 H352 N16 O32 -","4","1","","Sung Kuk Kim; Jonathan L. Sessler; Dustin E. Gross; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Laetitia H. Delmau; Benjamin P. Hay","A Calix[4]arene Strapped Calix[4]pyrrole: An Ion-Pair Receptor Displaying Three Different Cesium Cation Recognition Modes","Journal of the American Chemical Society","2010","132","","5827","5836","10.1021/ja100715e","","","0.7107","MoKα","","0.2145","0.0696","","","0.1359","0.1782","","","","","","1","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102323","20.2603","0.0008","25.3053","0.0011","25.6274","0.001","90","","90","","90","","13139","0.9","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C152 H130 Cl8 N4 Nb2 O8 -","- C152 H130 Cl8 N4 Nb2 O8 -","- C608 H520 Cl32 N16 Nb8 O32 -","4","1","","Hiromichi Egami; Takuya Oguma; Tsutomu Katsuki","Oxidation Catalysis of Nb(salan) Complexes: Asymmetric Epoxidation of Allylic Alcohols Using Aqueous Hydrogen Peroxide as an Oxidant","Journal of the American Chemical Society","2010","132","","5886","5895","10.1021/ja100795k","","","0.71073","MoKα","","0.109","0.088","","","0.2384","0.2564","","","","","","1.072","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102324","6.8305","0.0013","6.8305","0.0013","13.962","0.003","90","","90","","120","","564.14","0.19","100","2","100","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Cl2 Cu3.35 H6 Mg0.65 O6 -","- Cl2 Cu3.344 H6 Mg0.656 O6 -","- Cl6 Cu10.032 H18 Mg1.968 O18 -","3","0.0833333","","Shaoyan Chu; Tyrel M. McQueen; Robin Chisnell; Danna E. Freedman; Peter Müller; Young S. Lee; Daniel G. Nocera","A Cu2+ (S = 1/2) Kagomé Antiferromagnet: MgxCu4-x(OH)6Cl2","Journal of the American Chemical Society","2010","132","","5570","5571","10.1021/ja1008322","","","0.71073","MoKα","","0.0175","0.0168","","","0.044","0.0442","","","","","","1.324","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102325","6.8393","0.0018","6.8393","0.0018","14.005","0.004","90","","90","","120","","567.3","0.3","100","2","100","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Cl2 Cu3.67 H6 Mg0.33 O6 -","- Cl2 Cu3.686 H6 Mg0.314 O6 -","- Cl6 Cu11.058 H18 Mg0.942 O18 -","3","0.0833333","","Shaoyan Chu; Tyrel M. McQueen; Robin Chisnell; Danna E. Freedman; Peter Müller; Young S. Lee; Daniel G. Nocera","A Cu2+ (S = 1/2) Kagomé Antiferromagnet: MgxCu4-x(OH)6Cl2","Journal of the American Chemical Society","2010","132","","5570","5571","10.1021/ja1008322","","","0.71073","MoKα","","0.0221","0.0219","","","0.0555","0.0556","","","","","","1.244","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102326","6.8322","0.0011","6.8322","0.0011","13.96","0.002","90","","90","","120","","564.34","0.15","100","2","100","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Cl2 Cu3.25 H6 Mg0.75 O6 -","- Cl2 Cu3.252 H6 Mg0.748 O6 -","- Cl6 Cu9.756 H18 Mg2.244 O18 -","3","0.0833333","","Shaoyan Chu; Tyrel M. McQueen; Robin Chisnell; Danna E. Freedman; Peter Müller; Young S. Lee; Daniel G. Nocera","A Cu2+ (S = 1/2) Kagomé Antiferromagnet: MgxCu4-x(OH)6Cl2","Journal of the American Chemical Society","2010","132","","5570","5571","10.1021/ja1008322","","","0.71073","MoKα","","0.0172","0.0162","","","0.0414","0.0421","","","","","","1.194","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102327","7.1277","0.0001","11.2873","0.0002","13.6337","0.0002","90","","105.186","0.001","90","","1058.56","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 F N2 O -","- C12 H11 F N2 O -","- C48 H44 F4 N8 O4 -","4","1","","Panče Naumov; Janusz Kowalik; Kyril M. Solntsev; Anthony Baldridge; Jong-Seok Moon; Christine Kranz; Laren M. Tolbert","Topochemistry and Photomechanical Effects in Crystals of Green Fluorescent Protein-like Chromophores: Effects of Hydrogen Bonding and Crystal Packing","Journal of the American Chemical Society","2010","132","","5845","5857","10.1021/ja100844m","","","0.71073","MoKα","","0.0624","0.0519","","","0.1515","0.1637","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102328","7.0622","0.0004","7.2019","0.0004","11.5013","0.0006","73.718","0.003","80.875","0.003","75.073","0.002","540.2","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C24 H24 N4 O4 -","2","1","","Panče Naumov; Janusz Kowalik; Kyril M. Solntsev; Anthony Baldridge; Jong-Seok Moon; Christine Kranz; Laren M. Tolbert","Topochemistry and Photomechanical Effects in Crystals of Green Fluorescent Protein-like Chromophores: Effects of Hydrogen Bonding and Crystal Packing","Journal of the American Chemical Society","2010","132","","5845","5857","10.1021/ja100844m","","","0.71073","MoKα","","0.0991","0.0806","","","0.2527","0.2694","","","","","","1.018","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102329","7.511","0.0001","21.9578","0.0003","8.049","0.0001","90","","110.047","0.001","90","","1247.05","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-4-(2,5-diemethylbenzylidene)-1,2-dimethyl- 1H-imidazol-5(4H)-one","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C56 H64 N8 O4 -","4","1","","Panče Naumov; Janusz Kowalik; Kyril M. Solntsev; Anthony Baldridge; Jong-Seok Moon; Christine Kranz; Laren M. Tolbert","Topochemistry and Photomechanical Effects in Crystals of Green Fluorescent Protein-like Chromophores: Effects of Hydrogen Bonding and Crystal Packing","Journal of the American Chemical Society","2010","132","","5845","5857","10.1021/ja100844m","","","0.71073","MoKα","","0.0563","0.047","","","0.1445","0.1519","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102330","27.911","0.007","27.911","0.007","8.407","0.002","90","","90","","120","","5672","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","(Z)-4-(2,5-diemethylbenzylidene)-1,2-dimethyl- 1H-imidazol-5(4H)-one","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C252 H288 N36 O18 -","18","1","","Panče Naumov; Janusz Kowalik; Kyril M. Solntsev; Anthony Baldridge; Jong-Seok Moon; Christine Kranz; Laren M. Tolbert","Topochemistry and Photomechanical Effects in Crystals of Green Fluorescent Protein-like Chromophores: Effects of Hydrogen Bonding and Crystal Packing","Journal of the American Chemical Society","2010","132","","5845","5857","10.1021/ja100844m","","","0.71073","MoKα","","0.0584","0.0425","","","0.1363","0.1547","","","","","","1.088","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102331","6.9641","0.0003","7.4052","0.0003","12.8203","0.0005","100.458","0.003","97.239","0.002","112.435","0.003","586.93","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C26 H28 N4 O4 -","2","1","","Panče Naumov; Janusz Kowalik; Kyril M. Solntsev; Anthony Baldridge; Jong-Seok Moon; Christine Kranz; Laren M. Tolbert","Topochemistry and Photomechanical Effects in Crystals of Green Fluorescent Protein-like Chromophores: Effects of Hydrogen Bonding and Crystal Packing","Journal of the American Chemical Society","2010","132","","5845","5857","10.1021/ja100844m","","","0.71073","MoKα","","0.0481","0.0415","","","0.1222","0.1354","","","","","","1.122","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102332","7.555","0.004","17.172","0.008","16.754","0.008","90","","90.999","0.012","90","","2173.2","1.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C96 H96 N16 O16 -","8","2","","Panče Naumov; Janusz Kowalik; Kyril M. Solntsev; Anthony Baldridge; Jong-Seok Moon; Christine Kranz; Laren M. Tolbert","Topochemistry and Photomechanical Effects in Crystals of Green Fluorescent Protein-like Chromophores: Effects of Hydrogen Bonding and Crystal Packing","Journal of the American Chemical Society","2010","132","","5845","5857","10.1021/ja100844m","","","0.71073","MoKα","","0.1378","0.0714","","","0.1757","0.1997","","","","","","1.001","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102333","7.2224","0.0002","7.3215","0.0001","12.4936","0.0003","96.864","0.001","100.939","0.001","115.801","0.002","568.51","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C26 H28 N4 O2 -","2","1","","Panče Naumov; Janusz Kowalik; Kyril M. Solntsev; Anthony Baldridge; Jong-Seok Moon; Christine Kranz; Laren M. Tolbert","Topochemistry and Photomechanical Effects in Crystals of Green Fluorescent Protein-like Chromophores: Effects of Hydrogen Bonding and Crystal Packing","Journal of the American Chemical Society","2010","132","","5845","5857","10.1021/ja100844m","","","0.71073","MoKα","","0.055","0.0452","","","0.1276","0.1399","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102334","7.0404","0.0008","7.2141","0.0007","11.4902","0.0011","74.02","0.006","80.942","0.006","75.193","0.004","540.02","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C24 H24 N4 O4 -","2","1","","Panče Naumov; Janusz Kowalik; Kyril M. Solntsev; Anthony Baldridge; Jong-Seok Moon; Christine Kranz; Laren M. Tolbert","Topochemistry and Photomechanical Effects in Crystals of Green Fluorescent Protein-like Chromophores: Effects of Hydrogen Bonding and Crystal Packing","Journal of the American Chemical Society","2010","132","","5845","5857","10.1021/ja100844m","","","0.71073","MoKα","","0.0985","0.0653","","","0.1891","0.2079","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102335","10.2568","0.0003","10.47","0.0003","12.1996","0.0005","96.512","0.002","106.279","0.002","118.988","0.001","1050.44","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","2","","Panče Naumov; Janusz Kowalik; Kyril M. Solntsev; Anthony Baldridge; Jong-Seok Moon; Christine Kranz; Laren M. Tolbert","Topochemistry and Photomechanical Effects in Crystals of Green Fluorescent Protein-like Chromophores: Effects of Hydrogen Bonding and Crystal Packing","Journal of the American Chemical Society","2010","132","","5845","5857","10.1021/ja100844m","","","0.71073","MoKα","","0.0563","0.0489","","","0.1343","0.1406","","","","","","1.111","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102336","7.242","0.001","7.939","0.002","14.711","0.003","91.26","0.02","90.96","0.02","95.55","0.03","841.5","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Marek-51 (Bishu)","","","- C18 H26 O3 -","- C18 H26 O3 -","- C36 H52 O6 -","2","1","","Bishnu Dutta; Noga Gilboa; Ilan Marek","Highly Diastereoselective Preparation of Homoallylic Alcohols Containing Two Contiguous Quaternary Stereocenters in Acyclic Systems from Simple Terminal Alkynes","Journal of the American Chemical Society","2010","132","","5588","5589","10.1021/ja101371x","","","0.71073","MoKα","","0.1266","0.0565","","","0.1321","0.1543","","","","","","0.997","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102337","8.5787","0.0006","18.4977","0.0013","12.5721","0.0009","90","","90.313","0.003","90","","1995","0.2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 Au F3 P -","- C18 H29 Au F3 P -","- C72 H116 Au4 F12 P4 -","4","1","","Pengfei Lu; Tanya C. Boorman; Alexandra M. Z. Slawin; Igor Larrosa","Gold(I)-Mediated C-H Activation of Arenes","Journal of the American Chemical Society","2010","132","","5580","5581","10.1021/ja101525w","","","0.71073","MoKα","","0.0277","0.0272","","","0.0696","0.0699","","","","","","1.133","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102338","8.56","0.003","20.335","0.006","12.155","0.004","90","","104.92","0.01","90","","2044.5","1.2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Au F5 P -","- C18 H27 Au F5 P -","- C72 H108 Au4 F20 P4 -","4","1","","Pengfei Lu; Tanya C. Boorman; Alexandra M. Z. Slawin; Igor Larrosa","Gold(I)-Mediated C-H Activation of Arenes","Journal of the American Chemical Society","2010","132","","5580","5581","10.1021/ja101525w","","","0.71073","MoKα","","0.0448","0.0327","","","0.0645","0.0717","","","","","","0.786","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102339","8.528","0.003","18.534","0.005","12.578","0.004","90","","90.101","0.008","90","","1988","1.1","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 Au F3 P -","- C18 H29 Au F3 P -","- C72 H116 Au4 F12 P4 -","4","1","","Pengfei Lu; Tanya C. Boorman; Alexandra M. Z. Slawin; Igor Larrosa","Gold(I)-Mediated C-H Activation of Arenes","Journal of the American Chemical Society","2010","132","","5580","5581","10.1021/ja101525w","","","0.71073","MoKα","","0.036","0.033","","","0.0834","0.0868","","","","","","0.822","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102340","17.458","0.005","15.145","0.003","16.548","0.005","90","","116.557","0.005","90","","3913.7","1.8","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Au F2 P -","- C18 H30 Au F2 P -","- C144 H240 Au8 F16 P8 -","8","2","","Pengfei Lu; Tanya C. Boorman; Alexandra M. Z. Slawin; Igor Larrosa","Gold(I)-Mediated C-H Activation of Arenes","Journal of the American Chemical Society","2010","132","","5580","5581","10.1021/ja101525w","","","0.71073","MoKα","","0.0375","0.0326","","","0.0748","0.0788","","","","","","0.801","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102341","10.433","0.009","12.677","0.008","16.21","0.013","90","","104.65","0.02","90","","2074","3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 Au F2 P -","- C19 H32 Au F2 P -","- C76 H128 Au4 F8 P4 -","4","1","","Pengfei Lu; Tanya C. Boorman; Alexandra M. Z. Slawin; Igor Larrosa","Gold(I)-Mediated C-H Activation of Arenes","Journal of the American Chemical Society","2010","132","","5580","5581","10.1021/ja101525w","","","0.71073","MoKα","","0.0978","0.0676","","","0.213","0.2908","","","","","","1.241","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102342","8.837","0.004","20.754","0.007","11.608","0.005","90","","106.169","0.012","90","","2044.7","1.5","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 Au N2 O4 P -","- C18 H30 Au N2 O4 P -","- C72 H120 Au4 N8 O16 P4 -","4","1","","Pengfei Lu; Tanya C. Boorman; Alexandra M. Z. Slawin; Igor Larrosa","Gold(I)-Mediated C-H Activation of Arenes","Journal of the American Chemical Society","2010","132","","5580","5581","10.1021/ja101525w","","","0.71073","MoKα","","0.0489","0.0433","","","0.1234","0.1579","","","","","","1.155","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102343","10.905","0.003","20.102","0.005","14.188","0.004","90","","100.793","0.007","90","","3055.2","1.4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 Au F3 N2 -","- C33 H38 Au F3 N2 -","- C132 H152 Au4 F12 N8 -","4","1","","Pengfei Lu; Tanya C. Boorman; Alexandra M. Z. Slawin; Igor Larrosa","Gold(I)-Mediated C-H Activation of Arenes","Journal of the American Chemical Society","2010","132","","5580","5581","10.1021/ja101525w","","","0.71073","MoKα","","0.0418","0.0324","","","0.0724","0.0784","","","","","","0.819","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102344","11.677","0.004","13.18","0.004","26.365","0.009","90","","95.868","0.01","90","","4036","2","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 Au F3 P -","- C24 H17 Au F3 P -","- C192 H136 Au8 F24 P8 -","8","1","","Pengfei Lu; Tanya C. Boorman; Alexandra M. Z. Slawin; Igor Larrosa","Gold(I)-Mediated C-H Activation of Arenes","Journal of the American Chemical Society","2010","132","","5580","5581","10.1021/ja101525w","","","0.71073","MoKα","","0.0743","0.0524","","","0.1545","0.2302","","","","","","1.205","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102345","15.95","0.003","11.7","0.002","10.21","0.002","90","","112.77","0.03","90","","1756.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C18 H13 Cd N3 O4 -","- C18 H13 Cd N3 O4 -","- C72 H52 Cd4 N12 O16 -","4","0.5","","Hai-Long Jiang; Yoshiro Tatsu; Zhang-Hui Lu; Qiang Xu","Non-, Micro-, and Mesoporous Metal-Organic Framework Isomers: Reversible Transformation, Fluorescence Sensing, and Large Molecule Separation","Journal of the American Chemical Society","2010","132","","5586","5587","10.1021/ja101541s","","","0.71073","MoKα","","0.0855","0.0491","","","0.1165","0.1411","","","","","","1.02","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102346","13.7","0.003","21.05","0.004","11.72","0.002","90","","90","","90","","3379.9","1.1","293","2","293","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C18 H13 Cd N3 O4 -","- C18 H13 Cd N3 O4 -","- C72 H52 Cd4 N12 O16 -","4","0.5","","Hai-Long Jiang; Yoshiro Tatsu; Zhang-Hui Lu; Qiang Xu","Non-, Micro-, and Mesoporous Metal-Organic Framework Isomers: Reversible Transformation, Fluorescence Sensing, and Large Molecule Separation","Journal of the American Chemical Society","2010","132","","5586","5587","10.1021/ja101541s","","","0.71073","MoKα","","0.0622","0.0443","","","0.1022","0.1065","","","","","","0.805","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102347","25.29","0.004","25.29","0.004","11.69","0.002","90","","90","","120","","6475","1.8","293","2","293","2","","","","","","","","5","P 6/m","-P 6","175","","","","- C18 H13 Cd N3 O4 -","- C18 H13 Cd N3 O4 -","- C108 H78 Cd6 N18 O24 -","6","0.5","","Hai-Long Jiang; Yoshiro Tatsu; Zhang-Hui Lu; Qiang Xu","Non-, Micro-, and Mesoporous Metal-Organic Framework Isomers: Reversible Transformation, Fluorescence Sensing, and Large Molecule Separation","Journal of the American Chemical Society","2010","132","","5586","5587","10.1021/ja101541s","","","0.71073","MoKα","","0.1234","0.0763","","","0.172","0.191","","","","","","1.067","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102348","16.105","0.004","11.323","0.003","15.526","0.004","90","","107.556","0.005","90","","2699.4","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H51 B Cl N Os P2 -","- C20 H51 B Cl N Os P2 -","- C80 H204 B4 Cl4 N4 Os4 P8 -","4","1","","Miguel A. Esteruelas; Francisco J. Fernández-Alvarez; Ana M. López; Malka Mora; Enrique Oñate","Borinium Cations as σ-B-H Ligands in Osmium Complexes","Journal of the American Chemical Society","2010","132","","5600","5601","10.1021/ja101806x","","","0.71073","MoKα","","0.0635","0.0386","","","0.0784","0.0861","","","","","","1.004","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102349","14.005","0.002","10.5978","0.0018","26.244","0.004","90","","101.324","0.003","90","","3819.4","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H69 B2 Cl O4 Os P2 -","- C30 H69 B2 Cl O4 Os P2 -","- C120 H276 B8 Cl4 O16 Os4 P8 -","4","1","","Miguel A. Esteruelas; Francisco J. Fernández-Alvarez; Ana M. López; Malka Mora; Enrique Oñate","Borinium Cations as σ-B-H Ligands in Osmium Complexes","Journal of the American Chemical Society","2010","132","","5600","5601","10.1021/ja101806x","","","0.71073","MoKα","","0.09","0.0463","","","0.0746","0.0849","","","","","","1.008","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102350","8.224","0.0016","6.585","0.0013","13.899","0.003","90","","94.19","0.03","90","","750.7","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 Br O2 -","- C18 H19 Br O2 -","- C36 H38 Br2 O4 -","2","1","","Kazutaka Shibatomi; Kentaro Futatsugi; Fumito Kobayashi; Seiji Iwasa; Hisashi Yamamoto","Stereoselective Construction of Halogenated Quaternary Stereogenic Centers via Catalytic Asymmetric Diels-Alder Reaction","Journal of the American Chemical Society","2010","132","","5625","5627","10.1021/ja1018628","","","0.71073","MoKα","","0.047","0.0422","","","0.097","0.0984","","","","","","0.981","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102351","7.0708","0.0015","16.433","0.003","13.37","0.003","90","","92.797","0.003","90","","1551.7","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 Br O2 -","- C19 H21 Br O2 -","- C76 H84 Br4 O8 -","4","2","","Kazutaka Shibatomi; Kentaro Futatsugi; Fumito Kobayashi; Seiji Iwasa; Hisashi Yamamoto","Stereoselective Construction of Halogenated Quaternary Stereogenic Centers via Catalytic Asymmetric Diels-Alder Reaction","Journal of the American Chemical Society","2010","132","","5625","5627","10.1021/ja1018628","","","0.71073","MoKα","","0.0306","0.0283","","","0.0595","0.06","","","","","","0.974","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102352","6.5078","0.0013","16.614","0.003","13.417","0.003","90","","91.79","0.03","90","","1449.9","0.5","20","","20","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 Cl O2 -","- C18 H19 Cl O2 -","- C72 H76 Cl4 O8 -","4","2","","Kazutaka Shibatomi; Kentaro Futatsugi; Fumito Kobayashi; Seiji Iwasa; Hisashi Yamamoto","Stereoselective Construction of Halogenated Quaternary Stereogenic Centers via Catalytic Asymmetric Diels-Alder Reaction","Journal of the American Chemical Society","2010","132","","5625","5627","10.1021/ja1018628","","","0.41328","","","0.0534","0.0517","","","0.1266","0.1284","","","","","","1.118","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102353","9.85577","0.00007","9.85577","0.00007","9.85577","0.00007","90","","90","","90","","957.352","0.012","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Ga0.894 S8 Ti3.4 V -","- Ga0.894 S8 Ti3.4 V -","- Ga3.576 S32 Ti13.6 V4 -","4","0.0416667","","Eugen Dorolti; Laurent Cario; Benoît Corraze; Etienne Janod; Cristian Vaju; Hyun-Joo Koo; Erjun Kan; Myung-Hwan Whangbo","Half-Metallic Ferromagnetism and Large Negative Magnetoresistance in the New Lacunar Spinel GaTi3VS8","Journal of the American Chemical Society","2010","132","","5704","5710","10.1021/ja908128b","powder diffraction","","","X-ray","","","","","","","","","4.8953","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102354","9.721893","0.00002","9.721893","0.00002","9.721893","0.00002","90","","90","","90","","918.867","0.003","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Ga1.021 S8 Ti V3 -","- Ga1.021 S8 Ti V3 -","- Ga4.084 S32 Ti4 V12 -","4","0.0416667","","Eugen Dorolti; Laurent Cario; Benoît Corraze; Etienne Janod; Cristian Vaju; Hyun-Joo Koo; Erjun Kan; Myung-Hwan Whangbo","Half-Metallic Ferromagnetism and Large Negative Magnetoresistance in the New Lacunar Spinel GaTi3VS8","Journal of the American Chemical Society","2010","132","","5704","5710","10.1021/ja908128b","powder diffraction","","","","","","","","","","","","4.5761","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102355","4.58878","0.00015","4.58878","0.00015","2.95756","0.00018","90","","90","","90","","62.277","0.005","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- O2 Ti -","- O2 Ti -","- O4 Ti2 -","2","0.125","","Eugen Dorolti; Laurent Cario; Benoît Corraze; Etienne Janod; Cristian Vaju; Hyun-Joo Koo; Erjun Kan; Myung-Hwan Whangbo","Half-Metallic Ferromagnetism and Large Negative Magnetoresistance in the New Lacunar Spinel GaTi3VS8","Journal of the American Chemical Society","2010","132","","5704","5710","10.1021/ja908128b","powder diffraction","","","","","","","","","","","","31.8903","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102356","24.333","0.005","4.111","0.0008","19.673","0.004","90","","90","","90","","1967.9","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Iron Lead Antinony Selenide (0.75/3.25/4/10)","","- Fe0.75 Pb3.25 Sb4 Se10 -","- Fe0.75 Pb3.25 Sb4 Se10 -","- Fe3 Pb13 Sb16 Se40 -","4","0.5","","Pierre F. P. Poudeu; Nathan Takas; Clarence Anglin; James Eastwood; Arianna Rivera","Fe~x~Pb~4-x~Sb~4~Se~10~: A New Class of Ferromagnetic Semiconductors with Quasi 1D {Fe~2~Se~10~} Ladders","Journal of the American Chemical Society","2010","132","","5751","5760","10.1021/ja910545e","","","0.71073","MoKα","","0.0293","0.0293","","","0.0717","0.0717","","","","","","1.232","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102357","19.6918","0.0009","4.1153","0.0002","24.3607","0.0011","90","","90.02","0.01","90","","1974.13","0.16","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Iron Lead Antinony Selenide (0.96/3.04/4/10)","","- Fe0.96 Pb3.04 Sb4 Se10 -","- Fe0.9615 Pb3.0385 Sb4 Se10 -","- Fe3.846 Pb12.154 Sb16 Se40 -","4","1","","Pierre F. P. Poudeu; Nathan Takas; Clarence Anglin; James Eastwood; Arianna Rivera","Fe~x~Pb~4-x~Sb~4~Se~10~: A New Class of Ferromagnetic Semiconductors with Quasi 1D {Fe~2~Se~10~} Ladders","Journal of the American Chemical Society","2010","132","","5751","5760","10.1021/ja910545e","","","0.71073","MoKα","","0.0282","0.0282","","","0.0664","0.0664","","","","","","1.22","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102358","9.6088","0.0009","9.6875","0.0008","14.5497","0.0016","72.189","0.007","89.358","0.01","88.158","0.007","1288.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H25 Cl8 N3 Sb -","- C16 H25 Cl8 N3 Sb -","- C32 H50 Cl16 N6 Sb2 -","2","1","","Almaz S. Jalilov; Gaoquan Li; Stephen F. Nelsen; Ilia A. Guzei; Qin Wu","Solution and Solid-State Studies of Doubly Trimethylene-Bridged Tetraalkyl p-Phenylenediamine Diradical Dication Conformations","Journal of the American Chemical Society","2010","132","","6176","6182","10.1021/ja100322k","","","1.54178","Cu-Kα","","0.09","0.0814","","","0.2183","0.2288","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102359","9.2925","0.0003","14.6281","0.0004","15.0725","0.0005","90","","103.215","0.002","90","","1994.57","0.11","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C30 H48 F12 N4 Sb2 -","- C30 H48 F11 N4 Sb2 -","- C60 H96 F22 N8 Sb4 -","2","0.5","","Almaz S. Jalilov; Gaoquan Li; Stephen F. Nelsen; Ilia A. Guzei; Qin Wu","Solution and Solid-State Studies of Doubly Trimethylene-Bridged Tetraalkyl p-Phenylenediamine Diradical Dication Conformations","Journal of the American Chemical Society","2010","132","","6176","6182","10.1021/ja100322k","","","1.54178","Cu-Kα","","0.0551","0.0395","","","0.0862","0.0915","","","","","","1.003","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102360","7.2994","0.0003","12.7484","0.0006","21.9094","0.001","90","","94.84","0.004","90","","2031.52","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 Cl12 N6 Sb2 -","- C26 H38 Cl12 N6 Sb2 -","- C52 H76 Cl24 N12 Sb4 -","2","0.5","","Almaz S. Jalilov; Gaoquan Li; Stephen F. Nelsen; Ilia A. Guzei; Qin Wu","Solution and Solid-State Studies of Doubly Trimethylene-Bridged Tetraalkyl p-Phenylenediamine Diradical Dication Conformations","Journal of the American Chemical Society","2010","132","","6176","6182","10.1021/ja100322k","","","1.54178","CuKα","","0.0874","0.0646","","","0.1265","0.1353","","","","","","1.146","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102361","6.5273","0.0005","10.0768","0.0008","11.9925","0.00013","109.5","0.005","100.439","0.005","104.66","0.05","688.1","0.3","100","1","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H32 F12 N4 Sb2 -","- C22 H32 F12 N4 Sb2 -","- C22 H32 F12 N4 Sb2 -","1","0.5","","Almaz S. Jalilov; Gaoquan Li; Stephen F. Nelsen; Ilia A. Guzei; Qin Wu","Solution and Solid-State Studies of Doubly Trimethylene-Bridged Tetraalkyl p-Phenylenediamine Diradical Dication Conformations","Journal of the American Chemical Society","2010","132","","6176","6182","10.1021/ja100322k","","","1.54178","Cu-Kα","","0.0319","0.0307","","","0.0804","0.081","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102362","12.5994","0.0006","21.9541","0.001","12.828","0.0006","90","","95.825","0.002","90","","3530","0.3","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 F6 Ir N6 P -","- C38 H34 F6 Ir N6 P -","- C152 H136 F24 Ir4 N24 P4 -","4","1","","Rubén D. Costa; Enrique Ortí; Henk J. Bolink; Stefan Graber; Catherine E. Housecroft; Edwin C. Constable","Intramolecular π-Stacking in a Phenylpyrazole-Based Iridium Complex and Its Use in Light-Emitting Electrochemical Cells","Journal of the American Chemical Society","2010","132","","5978","5980","10.1021/ja1010674","","","0.71073","MoKα","","0.0628","0.0222","","0.0417","0.0201","0.0201","","","","","","1.0936","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102363","7.5884","0.0005","11.4643","0.0008","20.3343","0.0013","86.321","0.003","83.111","0.003","72.125","0.003","1670.75","0.19","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 Cl2 N2 Ni O4 -","- C36 H42 Cl2 N2 Ni O4 -","- C72 H84 Cl4 N4 Ni2 O8 -","2","1","","James D. Crowley; Stephen M. Goldup; Nicholas D. Gowans; David A. Leigh; Vicki E. Ronaldson; Alexandra M. Z. Slawin","An Unusual Nickel-Copper-Mediated Alkyne Homocoupling Reaction for the Active-Template Synthesis of [2]Rotaxanes","Journal of the American Chemical Society","2010","132","","6243","6248","10.1021/ja101121j","","","0.71073","MoKα","","0.0442","0.0415","","","0.0999","0.1015","","","","","","1.139","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102364","19.191","0.003","8.4088","0.001","29.802","0.004","90","","90","","90","","4809.2","1.1","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H38 Cl2 Cr N6 -","- C18 H38 Cl2 Cr N6 -","- C144 H304 Cl16 Cr8 N48 -","8","1","","Jaeheung Cho; Jaeyoung Woo; Wonwoo Nam","An ""End-On"" Chromium(III)-Superoxo Complex: Crystallographic and Spectroscopic Characterization and Reactivity in C-H Bond Activation of Hydrocarbons","Journal of the American Chemical Society","2010","132","","5958","5959","10.1021/ja1015926","","","0.71073","MoKα","","0.1182","0.0781","","","0.2209","0.2367","","","","","","1.182","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102365","9.395","0.003","11.455","0.004","12.58","0.005","115.39","0.02","93.81","0.02","93.85","0.02","1213.5","0.8","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H38 Cl2 Cr N6 O2 -","- C18 H38 Cl2 Cr N6 O2 -","- C36 H76 Cl4 Cr2 N12 O4 -","2","1","","Jaeheung Cho; Jaeyoung Woo; Wonwoo Nam","An ""End-On"" Chromium(III)-Superoxo Complex: Crystallographic and Spectroscopic Characterization and Reactivity in C-H Bond Activation of Hydrocarbons","Journal of the American Chemical Society","2010","132","","5958","5959","10.1021/ja1015926","","","0.71073","MoKα","","0.1073","0.0726","","","0.2563","0.2685","","","","","","1.192","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102366","16.945","0.003","20.205","0.004","18.017","0.004","90","","90.16","0.03","90","","6169","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H88 Mo6 N4 O19 -","- C48 H88 Mo6 N4 O19 -","- C192 H352 Mo24 N16 O76 -","4","1","","Fengping Xiao; Jian Hao; Jin Zhang; Chunlin Lv; Panchao Yin; Longsheng Wang; Yongge Wei","Polyoxometalatocyclophanes: Controlled Assembly of Polyoxometalate-Based Chiral Metallamacrocycles from Achiral Building Blocks","Journal of the American Chemical Society","2010","132","","5956","5957","10.1021/ja101671q","","","0.71073","MoKα","","0.0788","0.048","","","0.1126","0.1325","","","","","","1.047","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102367","11.798","0.002","16.642","0.003","17.248","0.003","90","","106.91","0.03","90","","3240.1","1.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H92 Mo6 N4 O19 -","- C50 H92 Mo6 N4 O19 -","- C100 H184 Mo12 N8 O38 -","2","1","","Fengping Xiao; Jian Hao; Jin Zhang; Chunlin Lv; Panchao Yin; Longsheng Wang; Yongge Wei","Polyoxometalatocyclophanes: Controlled Assembly of Polyoxometalate-Based Chiral Metallamacrocycles from Achiral Building Blocks","Journal of the American Chemical Society","2010","132","","5956","5957","10.1021/ja101671q","","","0.71073","MoKα","","0.0312","0.0282","","","0.0698","0.0717","","","","","","1.049","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102368","11.78","0.002","16.623","0.003","17.258","0.004","90","","106.83","0.03","90","","3234.7","1.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H92 Mo6 N4 O19 -","- C50 H92 Mo6 N4 O19 -","- C100 H184 Mo12 N8 O38 -","2","1","","Fengping Xiao; Jian Hao; Jin Zhang; Chunlin Lv; Panchao Yin; Longsheng Wang; Yongge Wei","Polyoxometalatocyclophanes: Controlled Assembly of Polyoxometalate-Based Chiral Metallamacrocycles from Achiral Building Blocks","Journal of the American Chemical Society","2010","132","","5956","5957","10.1021/ja101671q","","","0.71073","MoKα","","0.0353","0.0322","","","0.079","0.0807","","","","","","1.054","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102369","12.426","0.003","12.58","0.003","23.06","0.005","81.09","0.03","77.37","0.03","79.7","0.03","3435.5","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H99 Mo6 N5 O19 -","- C54 H99 Mo6 N5 O19 -","- C108 H198 Mo12 N10 O38 -","2","1","","Fengping Xiao; Jian Hao; Jin Zhang; Chunlin Lv; Panchao Yin; Longsheng Wang; Yongge Wei","Polyoxometalatocyclophanes: Controlled Assembly of Polyoxometalate-Based Chiral Metallamacrocycles from Achiral Building Blocks","Journal of the American Chemical Society","2010","132","","5956","5957","10.1021/ja101671q","","","0.71073","MoKα","","0.0774","0.0486","","","0.1283","0.1548","","","","","","1.05","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102370","6.6135","0.0002","9.6729","0.0003","14.923","0.0005","85.1702","0.0017","82.1886","0.0018","81.5996","0.0017","933.63","0.05","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H48 Br2 Co N2 O4 -","- C38 H48 Br2 Co N2 O4 -","- C38 H48 Br2 Co N2 O4 -","1","0.5","","R. D. Schmidt; D. A. Shultz; J. D. Martin; P. D. Boyle","Goldilocks Effect in Magnetic Bistability: Remote Substituent Modulation and Lattice Control of Photoinduced Valence Tautomerism and Light-Induced Thermal Hysteresis","Journal of the American Chemical Society","2010","132","","6261","6273","10.1021/ja101957c","","","0.71073","MoKα","","0.1283","0.0518","","","0.0871","0.1089","","","","","","0.979","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102371","10.335","0.0006","10.0315","0.0006","21.6292","0.0013","90","","90.82","0.003","90","","2242.2","0.2","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 Co N2 O4 -","- C40 H54 Co N2 O4 -","- C80 H108 Co2 N4 O8 -","2","0.5","","R. D. Schmidt; D. A. Shultz; J. D. Martin; P. D. Boyle","Goldilocks Effect in Magnetic Bistability: Remote Substituent Modulation and Lattice Control of Photoinduced Valence Tautomerism and Light-Induced Thermal Hysteresis","Journal of the American Chemical Society","2010","132","","6261","6273","10.1021/ja101957c","","","0.71073","MoKα","","0.1125","0.0826","","","0.199","0.214","","","","","","0.97","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102372","11.7175","0.0009","22.4237","0.0018","7.283","0.0006","90","","90.286","0.004","90","","1913.6","0.3","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 Co N4 O8 -","- C38 H48 Co N4 O8 -","- C76 H96 Co2 N8 O16 -","2","0.5","","R. D. Schmidt; D. A. Shultz; J. D. Martin; P. D. Boyle","Goldilocks Effect in Magnetic Bistability: Remote Substituent Modulation and Lattice Control of Photoinduced Valence Tautomerism and Light-Induced Thermal Hysteresis","Journal of the American Chemical Society","2010","132","","6261","6273","10.1021/ja101957c","","","0.71073","MoKα","","0.1144","0.0861","","","0.178","0.1915","","","","","","1.147","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102373","11.6823","0.0016","21.061","0.003","7.4348","0.0011","90","","93.54","0.003","90","","1825.8","0.5","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 Co N2 O6 -","- C40 H54 Co N2 O6 -","- C80 H108 Co2 N4 O12 -","2","0.5","","R. D. Schmidt; D. A. Shultz; J. D. Martin; P. D. Boyle","Goldilocks Effect in Magnetic Bistability: Remote Substituent Modulation and Lattice Control of Photoinduced Valence Tautomerism and Light-Induced Thermal Hysteresis","Journal of the American Chemical Society","2010","132","","6261","6273","10.1021/ja101957c","","","0.71073","MoKα","","0.0775","0.0485","","","0.093","0.1023","","","","","","1.079","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102374","10.463","0.002","9.266","0.002","22.165","0.005","90","","94.838","0.004","90","","2141.2","0.8","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H58 Co N2 O4 -","- C38 H50 Co N2 O4 -","- C76 H100 Co2 N4 O8 -","2","0.5","","R. D. Schmidt; D. A. Shultz; J. D. Martin; P. D. Boyle","Goldilocks Effect in Magnetic Bistability: Remote Substituent Modulation and Lattice Control of Photoinduced Valence Tautomerism and Light-Induced Thermal Hysteresis","Journal of the American Chemical Society","2010","132","","6261","6273","10.1021/ja101957c","","","0.71073","MoKα","","0.0655","0.0515","","","0.1387","0.1439","","","","","","1.178","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102375","15.3071","0.0007","21.9836","0.0011","7.368","0.0003","90","","91.239","0.002","90","","2478.8","0.2","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H64 Co N4 O4 -","- C54 H64 Co N4 O4 -","- C108 H128 Co2 N8 O8 -","2","0.5","","R. D. Schmidt; D. A. Shultz; J. D. Martin; P. D. Boyle","Goldilocks Effect in Magnetic Bistability: Remote Substituent Modulation and Lattice Control of Photoinduced Valence Tautomerism and Light-Induced Thermal Hysteresis","Journal of the American Chemical Society","2010","132","","6261","6273","10.1021/ja101957c","","","0.71073","MoKα","","0.1019","0.0492","","","0.1046","0.1269","","","","","","1.027","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102376","10.9625","0.0005","8.5221","0.0004","24.6537","0.0009","90","","95.801","0.004","90","","2291.44","0.17","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H35 Cl2 Fe N5 O6 -","- C15 H35 Cl2 Fe N5 O6 -","- C60 H140 Cl8 Fe4 N20 O24 -","4","1","","Thengarai S. Venkatakrishnan; Shaon Sahoo; Nicolas Bréfuel; Carine Duhayon; Carley Paulsen; Anne-Laure Barra; S. Ramasesha; Jean-Pascal Sutter","Enhanced Ion Anisotropy by Nonconventional Coordination Geometry: Single-Chain Magnet Behavior for a [{FeIIL}2{NbIV(CN)8}] Helical Chain Compound Designed with Heptacoordinate FeII","Journal of the American Chemical Society","2010","132","","6047","6056","10.1021/ja9089389","","","0.71073","MoKα","","0.0391","0.0313","","","0.0849","0.0934","","","","","","1.101","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102377","13.4352","0.0005","17.59","0.001","21.0784","0.0008","90","","99.578","0.003","90","","4911.9","0.4","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H58 Fe2 Mo N18 O6 -","- C38 H46 Fe2 Mo N18 O6 -","- C152 H184 Fe8 Mo4 N72 O24 -","4","1","","Thengarai S. Venkatakrishnan; Shaon Sahoo; Nicolas Bréfuel; Carine Duhayon; Carley Paulsen; Anne-Laure Barra; S. Ramasesha; Jean-Pascal Sutter","Enhanced Ion Anisotropy by Nonconventional Coordination Geometry: Single-Chain Magnet Behavior for a [{FeIIL}2{NbIV(CN)8}] Helical Chain Compound Designed with Heptacoordinate FeII","Journal of the American Chemical Society","2010","132","","6047","6056","10.1021/ja9089389","","","0.71073","MoKα","","0.1891","0.0966","","0.1425","0.1123","0.1123","","","","","","1.1082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102378","13.403","0.005","17.532","0.005","21.084","0.005","90","","99.478","0.005","90","","4887","3","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H55 Fe2 N18 O4.5 W -","- C38 H46 Fe2 N18 O4.5 W -","- C152 H184 Fe8 N72 O18 W4 -","4","1","","Thengarai S. Venkatakrishnan; Shaon Sahoo; Nicolas Bréfuel; Carine Duhayon; Carley Paulsen; Anne-Laure Barra; S. Ramasesha; Jean-Pascal Sutter","Enhanced Ion Anisotropy by Nonconventional Coordination Geometry: Single-Chain Magnet Behavior for a [{FeIIL}2{NbIV(CN)8}] Helical Chain Compound Designed with Heptacoordinate FeII","Journal of the American Chemical Society","2010","132","","6047","6056","10.1021/ja9089389","","","0.71073","MoKα","","0.1633","0.06","","0.1042","0.0662","0.0662","","","","","","1.1357","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102379","11.861","0.006","13.143","0.006","16.803","0.008","101.311","0.004","97.606","0.009","100.814","0.007","2484","2","103.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H62 Br4 N4 O3 -","- C52 H62 Br4 N4 O3 -","- C104 H124 Br8 N8 O6 -","2","1","","Yoshiaki Shoji; Kentaro Tashiro; Takuzo Aida","One-Pot Enantioselective Extraction of Chiral Fullerene C76 Using a Cyclic Host Carrying an Asymmetrically Distorted, Highly π-Basic Porphyrin Module","Journal of the American Chemical Society","2010","132","","5928","5929","10.1021/ja910701q","","","0.71075","MoKα","","","0.0814","","","","0.22","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102380","11.6141","0.0008","18.8908","0.0014","10.0488","0.0006","90","","102.012","0.002","90","","2156.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 F3 N O4 -","- C24 H26 F3 N O4 -","- C96 H104 F12 N4 O16 -","4","1","","Hidenori Kinoshita; Oscar J. Ingham; Winnie W. Ong; Aaron B. Beeler; John A. Porco","Tandem Processes Identified from Reaction Screening: Nucleophilic Addition to Aryl N-Phosphinylimines Employing La(III)-TFAA Activation","Journal of the American Chemical Society","2010","132","","6412","6418","10.1021/ja100346w","","","0.71073","MoKα","","0.0733","0.0484","","","0.1094","0.1215","","","","","","1.04","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102381","10.9153","0.0012","7.296","0.0009","23.168","0.003","90","","93.879","0.006","90","","1840.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F3 N O4 -","- C21 H20 F3 N O4 -","- C84 H80 F12 N4 O16 -","4","1","","Hidenori Kinoshita; Oscar J. Ingham; Winnie W. Ong; Aaron B. Beeler; John A. Porco","Tandem Processes Identified from Reaction Screening: Nucleophilic Addition to Aryl N-Phosphinylimines Employing La(III)-TFAA Activation","Journal of the American Chemical Society","2010","132","","6412","6418","10.1021/ja100346w","","","0.71073","MoKα","","0.058","0.0433","","","0.0977","0.1047","","","","","","1.05","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102382","10.4731","0.0004","10.016","0.0004","18.348","0.0007","90","","104.366","0.002","90","","1864.5","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Br F3 N O -","- C21 H19 Br F3 N O -","- C84 H76 Br4 F12 N4 O4 -","4","1","","Hidenori Kinoshita; Oscar J. Ingham; Winnie W. Ong; Aaron B. Beeler; John A. Porco","Tandem Processes Identified from Reaction Screening: Nucleophilic Addition to Aryl N-Phosphinylimines Employing La(III)-TFAA Activation","Journal of the American Chemical Society","2010","132","","6412","6418","10.1021/ja100346w","","","0.71073","MoKα","","0.0555","0.0303","","","0.0599","0.0683","","","","","","1.025","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102383","10.32","0.003","11.387","0.004","12.207","0.004","90.235","0.012","115.124","0.011","105.603","0.011","1239.3","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 F3 N O4 -","- C28 H26 F3 N O4 -","- C56 H52 F6 N2 O8 -","2","1","","Hidenori Kinoshita; Oscar J. Ingham; Winnie W. Ong; Aaron B. Beeler; John A. Porco","Tandem Processes Identified from Reaction Screening: Nucleophilic Addition to Aryl N-Phosphinylimines Employing La(III)-TFAA Activation","Journal of the American Chemical Society","2010","132","","6412","6418","10.1021/ja100346w","","","0.71073","MoKα","","0.0833","0.0462","","","0.1134","0.1236","","","","","","1.082","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102384","19.6843","0.0007","17.8444","0.0005","25.7736","0.0009","90","","90","","90","","9053.1","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H24 F3 N O2 -","- C28 H24 F3 N O2 -","- C448 H384 F48 N16 O32 -","16","2","","Hidenori Kinoshita; Oscar J. Ingham; Winnie W. Ong; Aaron B. Beeler; John A. Porco","Tandem Processes Identified from Reaction Screening: Nucleophilic Addition to Aryl N-Phosphinylimines Employing La(III)-TFAA Activation","Journal of the American Chemical Society","2010","132","","6412","6418","10.1021/ja100346w","","","0.71073","MoKα","","0.082","0.047","","","0.1039","0.1205","","","","","","1.094","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102385","12.243","0.002","8.8775","0.0018","27.705","0.006","90","","98.35","0.03","90","","2979.3","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 O P Pd Si2 -","- C32 H37 O P Pd Si2 -","- C128 H148 O4 P4 Pd4 Si8 -","4","1","","Mathieu J.-L. Tschan; Eduardo J. García-Suárez; Zoraida Freixa; Hélène Launay; Henk Hagen; Jordi Benet-Buchholz; Piet W. N. M. van Leeuwen","Efficient Bulky Phosphines for the Selective Telomerization of 1,3-Butadiene with Methanol","Journal of the American Chemical Society","2010","132","","6463","6473","10.1021/ja100521m","","","0.71073","MoKα","","0.0343","0.0294","","","0.0734","0.0753","","","","","","1.064","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4102386","20.0915","0.0017","17.3002","0.0017","18.7964","0.0018","90","","94.156","0.004","90","","6516.2","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H41 O3 P Pd Si2 -","- C34 H41 O3 P Pd Si2 -","- C272 H328 O24 P8 Pd8 Si16 -","8","1","","Mathieu J.-L. Tschan; Eduardo J. García-Suárez; Zoraida Freixa; Hélène Launay; Henk Hagen; Jordi Benet-Buchholz; Piet W. N. M. van Leeuwen","Efficient Bulky Phosphines for the Selective Telomerization of 1,3-Butadiene with Methanol","Journal of the American Chemical Society","2010","132","","6463","6473","10.1021/ja100521m","","","0.71073","MoKα","","0.0671","0.0587","","","0.1527","0.1659","","","","","","1.029","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4102387","10.2083","0.0003","12.3688","0.0004","12.3907","0.0004","90.612","0.002","94.807","0.001","110.861","0.001","1455.42","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H37 O P Pd Si2 -","- C31 H37 O P Pd Si2 -","- C62 H74 O2 P2 Pd2 Si4 -","2","1","","Mathieu J.-L. Tschan; Eduardo J. García-Suárez; Zoraida Freixa; Hélène Launay; Henk Hagen; Jordi Benet-Buchholz; Piet W. N. M. van Leeuwen","Efficient Bulky Phosphines for the Selective Telomerization of 1,3-Butadiene with Methanol","Journal of the American Chemical Society","2010","132","","6463","6473","10.1021/ja100521m","","","0.71073","MoKα","","0.0407","0.0349","","","0.0889","0.0935","","","","","","1.054","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4102388","19.639","0.009","17.258","0.01","40.11","0.02","90","","90","","90","","13594","12","173","2","173","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C120 Cl12 -","- C120 Cl12 -","- C960 Cl96 -","8","1","","Igor V. Kuvychko; Alexey V. Streletskii; Natalia B. Shustova; Konrad Seppelt; Thomas Drewello; Alexey A. Popov; Steven H. Strauss; Olga V. Boltalina","Soluble Chlorofullerenes C~60~Cl~2,4,6,8,10~. Synthesis, Purification, Compositional Analysis, Stability, and Experimental/Theoretical Structure Elucidation, Including the X-ray Structure of C~1~-C~60~Cl~10~","Journal of the American Chemical Society","2010","132","","6443","6462","10.1021/ja1005256","","","0.71073","MoKα","","0.0991","0.0845","","","0.2139","0.2295","","","","","","1.099","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102389","9.997","0.0014","20.717","0.004","39.968","0.006","90","","90","","90","","8278","2","150","2","150","2","","","","","","","","2","C 2 2 21","C 2c 2","20","","","","- C60 Cl10 -","- C60 Cl10 -","- C480 Cl80 -","8","1","","Igor V. Kuvychko; Alexey V. Streletskii; Natalia B. Shustova; Konrad Seppelt; Thomas Drewello; Alexey A. Popov; Steven H. Strauss; Olga V. Boltalina","Soluble Chlorofullerenes C~60~Cl~2,4,6,8,10~. Synthesis, Purification, Compositional Analysis, Stability, and Experimental/Theoretical Structure Elucidation, Including the X-ray Structure of C~1~-C~60~Cl~10~","Journal of the American Chemical Society","2010","132","","6443","6462","10.1021/ja1005256","","","0.7749","synchrotron","","0.1418","0.0888","","","0.2049","0.2251","","","","","","1.072","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102390","5.673","0.0002","9.768","0.0004","22.1257","0.0009","90","","90","","90","","1226.07","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Ming-Kui Zhu; Jun-Feng Zhao; Teck-Peng Loh","Palladium-Catalyzed Oxime Assisted Intramolecular Dioxygenation of Alkenes with 1 atm of Air as the Sole Oxidant","Journal of the American Chemical Society","2010","132","","6284","6285","10.1021/ja100716x","","","0.71073","MoKα","","0.0653","0.0483","","","0.1398","0.1661","","","","","","1.103","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102391","7.4681","0.0017","12.7255","0.0016","17.4475","0.0018","90","","90","","90","","1658.1","0.5","292.1","","292.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O4 -","- C16 H18 Br N O4 -","- C64 H72 Br4 N4 O16 -","4","1","","Tomonori Misaki; Gouta Takimoto; Takashi Sugimura","Direct Asymmetric Aldol Reaction of 5H-Oxazol-4-ones with Aldehydes Catalyzed by Chiral Guanidines","Journal of the American Chemical Society","2010","132","","6286","6287","10.1021/ja101216x","","","0.71069","MoKα","","","0.0642","","","","0.062","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102392","7.5387","0.0006","8.0616","0.0008","9.2158","0.0009","64.967","0.004","83.532","0.004","81.588","0.004","501.2","0.08","","","293","","","","","","","","","4","P -1","-P 1","2","","Li 2,6-bis(ethoxycarbonyl)-3,7-dioxo-3,7-dihydro-s-indacene-1,5-bis(olate)","","- C9 H10 Li O6 -","- C9 H10 Li O6 -","- C18 H20 Li2 O12 -","2","1","","Wesley Walker; Sylvie Grugeon; Olivier Mentre; Stéphane Laruelle; Jean-Marie Tarascon; Fred Wudl","Ethoxycarbonyl-Based Organic Electrode for Li-Batteries","Journal of the American Chemical Society","2010","132","","6517","6523","10.1021/ja1012849","","","0.71069","MoKα","","0.0401","0.0319","","","0.0298","0.0338","","","","0.83","0.83","0.83","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102393","9.673","0.0005","12.8755","0.0006","14.3392","0.0007","102.753","0.003","99.036","0.003","91.5","0.003","1716.76","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 Cl2 Ni2 P2 -","- C36 H46 Cl2 Ni2 P2 -","- C72 H92 Cl4 Ni4 P4 -","2","1","","Alexandra Velian; Sibo Lin; Alexander J. M. Miller; Michael W. Day; Theodor Agapie","Synthesis and C-C Coupling Reactivity of a Dinuclear NiI-NiI Complex Supported by a Terphenyl Diphosphine","Journal of the American Chemical Society","2010","132","","6296","6297","10.1021/ja101699a","","","0.71073","MoKα","","0.0379","0.027","","","0.0532","0.0539","","","","","","2.237","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4102394","8.577","0.0003","14.8684","0.0005","21.6483","0.0007","90","","90","","90","","2760.73","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 Ni P2 -","- C30 H40 Ni P2 -","- C120 H160 Ni4 P8 -","4","1","","Alexandra Velian; Sibo Lin; Alexander J. M. Miller; Michael W. Day; Theodor Agapie","Synthesis and C-C Coupling Reactivity of a Dinuclear NiI-NiI Complex Supported by a Terphenyl Diphosphine","Journal of the American Chemical Society","2010","132","","6296","6297","10.1021/ja101699a","","","0.71073","MoKα","","0.039","0.0302","","","0.0568","0.0584","","","","","","1.311","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4102395","11.7255","0.0005","13.1876","0.0005","14.7366","0.0006","105.066","0.002","97.41","0.002","115.216","0.002","1914.32","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H55 Ni2 P2 -","- C45 H55 Ni2 P2 -","- C90 H110 Ni4 P4 -","2","1","","Alexandra Velian; Sibo Lin; Alexander J. M. Miller; Michael W. Day; Theodor Agapie","Synthesis and C-C Coupling Reactivity of a Dinuclear NiI-NiI Complex Supported by a Terphenyl Diphosphine","Journal of the American Chemical Society","2010","132","","6296","6297","10.1021/ja101699a","","","0.71073","MoKα","","0.0569","0.0334","","","0.0565","0.0577","","","","","","1.747","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4102396","7.1846","0.0013","25.477","0.004","9.4217","0.0016","90","","100.794","0.011","90","","1694.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34.41 H40 Ni2 O4.41 P2 -","- C34.3884 H40 Ni1.9942 O4.3884 P2 -","- C68.7768 H80 Ni3.9884 O8.7768 P4 -","2","0.5","","Alexandra Velian; Sibo Lin; Alexander J. M. Miller; Michael W. Day; Theodor Agapie","Synthesis and C-C Coupling Reactivity of a Dinuclear NiI-NiI Complex Supported by a Terphenyl Diphosphine","Journal of the American Chemical Society","2010","132","","6296","6297","10.1021/ja101699a","","","0.71073","MoKα","","0.1479","0.0651","","","0.0634","0.0709","","","","","","1.248","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4102397","16.0764","0.0008","20.7006","0.001","8.5956","0.0004","90","","90","","90","","2860.5","0.2","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H42 N O P Pd -","- C31 H42 N O P Pd -","- C124 H168 N4 O4 P4 Pd4 -","4","1","","Patrick S. Hanley; Dean Marković; John F. Hartwig","Intermolecular Insertion of Ethylene and Octene into a Palladium-Amide Bond. Spectroscopic Evidence for an Ethylene Amido Intermediate","Journal of the American Chemical Society","2010","132","","6302","6303","10.1021/ja102172m","","","0.71073","MoKα","","0.0606","0.038","","","0.0683","0.0759","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102398","13.9745","0.0008","18.6987","0.0011","20.417","0.0012","90","","102.129","0.004","90","","5216","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H68 N2 P2 Pd2 -","- C54 H68 N2 P2 Pd2 -","- C216 H272 N8 P8 Pd8 -","4","1","","Patrick S. Hanley; Dean Marković; John F. Hartwig","Intermolecular Insertion of Ethylene and Octene into a Palladium-Amide Bond. Spectroscopic Evidence for an Ethylene Amido Intermediate","Journal of the American Chemical Society","2010","132","","6302","6303","10.1021/ja102172m","","","0.71073","MoKα","","0.0315","0.0244","","","0.0599","0.0624","","","","","","1.051","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102399","8.1672","0.001","14.7597","0.0017","18.591","0.002","105.912","0.002","94.878","0.002","94.771","0.002","2134.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H31 Cl2 N O -","- C21 H31 Cl2 N O -","- C84 H124 Cl8 N4 O4 -","4","2","","Jonathan Clayden; Morgan Donnard; Julien Lefranc; Alberto Minassi; Daniel J. Tetlow","Tandem β-Alkylation-α-Arylation of Amines by Carbolithiation and Rearrangement of N-Carbamoyl Enamines (Vinyl Ureas)","Journal of the American Chemical Society","2010","132","","6624","6625","10.1021/ja1007992","","","0.71073","MoKα","","0.119","0.0678","","","0.1633","0.1866","","","","","","0.941","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102400","28.222","0.005","28.222","0.005","9.413","0.003","90","","90","","120","","6493","3","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H16 Co N10 -","- C24 H16 Co N10 -","- C216 H144 Co9 N90 -","9","0.5","","Jian-Bin Lin; Jie-Peng Zhang; Xiao-Ming Chen","Nonclassical Active Site for Enhanced Gas Sorption in Porous Coordination Polymer","Journal of the American Chemical Society","2010","132","","6654","6656","10.1021/ja1009635","","","0.71073","MoKα","","0.0637","0.0416","","","0.102","0.1082","","","","","","1","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102401","27.07","0.009","27.07","0.009","10.126","0.007","90","","90","","120","","6426","5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C26 H20 Co N10 -","- C26 H20 Co N10 -","- C234 H180 Co9 N90 -","9","0.5","","Jian-Bin Lin; Jie-Peng Zhang; Xiao-Ming Chen","Nonclassical Active Site for Enhanced Gas Sorption in Porous Coordination Polymer","Journal of the American Chemical Society","2010","132","","6654","6656","10.1021/ja1009635","","","0.71073","MoKα","","0.1251","0.0856","","","0.2247","0.2473","","","","","","1.006","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102402","15.9812","0.0019","27.908","0.004","34.355","0.004","70.843","0.005","79.695","0.006","73.704","0.006","13829","3","173","0.1","173","0.2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C524 H534 Cu4 F24 N52 O30 P4 Zn2 -","- C524 H534 Cu4 F24 N52 O30 P4 Zn2 -","- C524 H534 Cu4 F24 N52 O30 P4 Zn2 -","1","0.5","","Jean-Paul Collin; Fabien Durola; Julien Frey; Valérie Heitz; Felipe Reviriego; Jean-Pierre Sauvage; Yann Trolez; Kari Rissanen","Templated Synthesis of Cyclic [4]Rotaxanes Consisting of Two Stiff Rods Threaded through Two Bis-macrocycles with a Large and Rigid Central Plate as Spacer","Journal of the American Chemical Society","2010","132","","6840","6850","10.1021/ja101759w","","x-ray","1.54184","CuKα","","0.2505","0.122","","","0.3031","0.357","","","","","","0.821","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102403","10.581","0.002","23.213","0.004","6.078","0.001","90","","90","","90","","1492.9","0.5","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cu Mo3 O12 Rb4 -","- Cu Mo2.96 O12.02 Rb4 -","- Cu4 Mo11.84 O48.08 Rb16 -","4","0.5","","Rieko Ishii; Dixie Gautreaux; Keisuke Onuma; Yo Machida; Yoshiteru Maeno; Satoru Nakatsuji; Julia Y. Chan","Low-Dimensional Structure and Magnetism of the Quantum Antiferromagnet Rb4Cu(MoO4)3 and the Structure of Rb4Zn(MoO4)3","Journal of the American Chemical Society","2010","132","","7055","7061","10.1021/ja100077v","","","0.71073","MoKα","","0.0729","0.0508","","","0.1103","0.1188","","","","","","1.052","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102404","12.485","0.002","10.875","0.001","22.266","0.001","90","","90","","90","","3023.2","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Mo3 O12 Rb4 Zn -","- Mo3 O12 Rb4 Zn -","- Mo24 O96 Rb32 Zn8 -","8","1","","Rieko Ishii; Dixie Gautreaux; Keisuke Onuma; Yo Machida; Yoshiteru Maeno; Satoru Nakatsuji; Julia Y. Chan","Low-Dimensional Structure and Magnetism of the Quantum Antiferromagnet Rb4Cu(MoO4)3 and the Structure of Rb4Zn(MoO4)3","Journal of the American Chemical Society","2010","132","","7055","7061","10.1021/ja100077v","","","0.71073","MoKα","","0.0873","0.0456","","","0.0919","0.1062","","","","","","1.032","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102405","3.957","0.002","3.95715","","6.138","0.001","90","","90","","120","","83.24","0.04","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- La2 O3 -","- La2 O3 -","- La4 O6 -","2","0.0833333","","Cao Wang; Ming-qiu Tan; Chun-mu Feng; Zhi-feng Ma; Shuai Jiang; Zhu-an Xu; Guang-han Cao; Kazuyuki Matsubayashi; Yoshiya Uwatoko","La2Co2Se2O3: A Quasi-Two-Dimensional Mott Insulator with Unusual Cobalt Spin State and Possible Orbital Ordering","Journal of the American Chemical Society","2010","132","","7069","7073","10.1021/ja1001295","powder diffraction","","1.54056","CuK\α~1~","","","","","","","","","","1.42","","","","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102406","4.0697","0.0008","4.06965","","18.419","0.004","90","","90","","90","","305.06","0.09","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Co2 La2 O3 Se2 -","- Co2 La2 O3 Se2 -","- Co4 La4 O6 Se4 -","2","0.0625","","Cao Wang; Ming-qiu Tan; Chun-mu Feng; Zhi-feng Ma; Shuai Jiang; Zhu-an Xu; Guang-han Cao; Kazuyuki Matsubayashi; Yoshiya Uwatoko","La2Co2Se2O3: A Quasi-Two-Dimensional Mott Insulator with Unusual Cobalt Spin State and Possible Orbital Ordering","Journal of the American Chemical Society","2010","132","","7069","7073","10.1021/ja1001295","powder diffraction","","1.54056","CuK\α~1~","","","","","","","","","","1.42","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102407","12.653","0.0001","15.2413","0.0002","21.8305","0.0002","95.183","0.001","106.815","0.001","112.223","0.001","3634.6","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C85 H82 As4 Cl2 Pt2 -","- C85 H82 As4 Cl2 Pt2 -","- C170 H164 As8 Cl4 Pt4 -","2","1","","Martin A. Bennett; Suresh K. Bhargava; Eddie Chung-Chin Cheng; Wai Han Lam; Terence Kwok-Ming Lee; Steven H. Privér; Jörg Wagler; Anthony C. Willis; Wing-Wah Yam, Vivian","Unprecedented Near-Infrared (NIR) Emission in Diplatinum(III) (d7-d7) Complexes at Room Temperature","Journal of the American Chemical Society","2010","132","","7094","7103","10.1021/ja1002313","","","0.71073","MoKα","","0.0398","0.0305","","","0.0705","0.0732","","","","","","1.024","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102408","12.8447","0.0001","14.2111","0.0002","22.2162","0.0002","103.07","0.001","94.282","0.001","109.235","0.001","3680.33","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C85 H82 As4 Cl2 Pt2 -","- C85 H82 As4 Cl2 Pt2 -","- C170 H164 As8 Cl4 Pt4 -","2","1","","Martin A. Bennett; Suresh K. Bhargava; Eddie Chung-Chin Cheng; Wai Han Lam; Terence Kwok-Ming Lee; Steven H. Privér; Jörg Wagler; Anthony C. Willis; Wing-Wah Yam, Vivian","Unprecedented Near-Infrared (NIR) Emission in Diplatinum(III) (d7-d7) Complexes at Room Temperature","Journal of the American Chemical Society","2010","132","","7094","7103","10.1021/ja1002313","","","0.71073","MoKα","","0.0473","0.03","","","0.0621","0.0657","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102409","12.2508","0.0001","12.2827","0.0001","12.7841","0.0002","87.55","0.001","79.142","0.001","83.834","0.001","1877.79","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C85.4 H82.8 As4 Cl2.8 Pt2 -","- C85.4 H82.8 As4 Cl2.8 Pt2 -","- C85.4 H82.8 As4 Cl2.8 Pt2 -","1","0.5","","Martin A. Bennett; Suresh K. Bhargava; Eddie Chung-Chin Cheng; Wai Han Lam; Terence Kwok-Ming Lee; Steven H. Privér; Jörg Wagler; Anthony C. Willis; Wing-Wah Yam, Vivian","Unprecedented Near-Infrared (NIR) Emission in Diplatinum(III) (d7-d7) Complexes at Room Temperature","Journal of the American Chemical Society","2010","132","","7094","7103","10.1021/ja1002313","","","0.71073","MoKα","","0.0311","0.0258","","","0.0634","0.0649","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102410","19.7061","0.0002","16.8389","0.0001","25.4236","0.0002","90","","109.641","0.0005","90","","7945.45","0.12","200","","200","","","","","","","","from RMIT university","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H84 As4 Cl6 Pt2 -","- C86 H84 As4 Cl6 Pt2 -","- C344 H336 As16 Cl24 Pt8 -","4","1","","Martin A. Bennett; Suresh K. Bhargava; Eddie Chung-Chin Cheng; Wai Han Lam; Terence Kwok-Ming Lee; Steven H. Privér; Jörg Wagler; Anthony C. Willis; Wing-Wah Yam, Vivian","Unprecedented Near-Infrared (NIR) Emission in Diplatinum(III) (d7-d7) Complexes at Room Temperature","Journal of the American Chemical Society","2010","132","","7094","7103","10.1021/ja1002313","","","0.71073","MoKα","","0.0387","0.0239","","0.0682","0.0541","0.0682","","","","","","0.9477","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102411","14.2622","0.0002","21.2716","0.0002","24.0645","0.0002","90","","105.077","0.0006","90","","7049.36","0.13","200","","200","","","","","","","","from RMIT University","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 As4 Br2 Pt2 -","- C84 H80 As4 Br2 Pt2 -","- C336 H320 As16 Br8 Pt8 -","4","1","","Martin A. Bennett; Suresh K. Bhargava; Eddie Chung-Chin Cheng; Wai Han Lam; Terence Kwok-Ming Lee; Steven H. Privér; Jörg Wagler; Anthony C. Willis; Wing-Wah Yam, Vivian","Unprecedented Near-Infrared (NIR) Emission in Diplatinum(III) (d7-d7) Complexes at Room Temperature","Journal of the American Chemical Society","2010","132","","7094","7103","10.1021/ja1002313","","","0.71073","MoKα","","0.0638","0.0248","","0.078","0.0528","0.078","","","","","","1.0012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102412","14.2887","0.0005","21.2992","0.0008","24.2678","0.0009","90","","105.115","0.0017","90","","7130.1","0.5","200","","200","","","","","","","","from RMIT University","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 As4 I2 Pt2 -","- C84 H80 As4 I2 Pt2 -","- C336 H320 As16 I8 Pt8 -","4","1","","Martin A. Bennett; Suresh K. Bhargava; Eddie Chung-Chin Cheng; Wai Han Lam; Terence Kwok-Ming Lee; Steven H. Privér; Jörg Wagler; Anthony C. Willis; Wing-Wah Yam, Vivian","Unprecedented Near-Infrared (NIR) Emission in Diplatinum(III) (d7-d7) Complexes at Room Temperature","Journal of the American Chemical Society","2010","132","","7094","7103","10.1021/ja1002313","","","0.71073","MoKα","","0.0926","0.0507","","0.0959","0.0766","0.0959","","","","","","1.0133","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102413","13.2149","0.0001","13.6749","0.0002","23.5355","0.0003","76.373","0.0005","77.1321","0.0006","63.1672","0.0006","3655.02","0.08","200","","200","","","","","","","","from RMIT University","6","P -1","-P 1","2","","","","- C87 H82 As4 Cl2 N2 Pt2 -","- C87 H82 As4 Cl2 N2 Pt2 -","- C174 H164 As8 Cl4 N4 Pt4 -","2","1","","Martin A. Bennett; Suresh K. Bhargava; Eddie Chung-Chin Cheng; Wai Han Lam; Terence Kwok-Ming Lee; Steven H. Privér; Jörg Wagler; Anthony C. Willis; Wing-Wah Yam, Vivian","Unprecedented Near-Infrared (NIR) Emission in Diplatinum(III) (d7-d7) Complexes at Room Temperature","Journal of the American Chemical Society","2010","132","","7094","7103","10.1021/ja1002313","","","0.71073","MoKα","","0.045","0.0289","","0.0637","0.0605","0.0637","","","","","","0.8585","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102414","7.8543","0.0016","12.234","0.002","14.429","0.003","98.59","0.03","99.5","0.03","95.83","0.03","1340.7","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H48 O4 Si -","- C26 H48 O4 Si -","- C52 H96 O8 Si2 -","2","1","","K. C. Nicolaou; Adrian Ortiz; Hongjun Zhang; Philippe Dagneau; Andreas Lanver; Michael P. Jennings; Stellios Arseniyadis; Raffaella Faraoni; Dimitrios E. Lizos","Total Synthesis and Structural Revision of Vannusals A and B: Synthesis of the Originally Assigned Structure of Vannusal B","Journal of the American Chemical Society","2010","132","","7138","7152","10.1021/ja100740t","","","0.71073","MoKα","","0.0839","0.0684","","","0.163","0.1729","","","","","","1.095","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102415","6.8795","0.0014","14.854","0.003","19.609","0.004","90","","90","","90","","2003.8","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 Br N O3 -","- C20 H25 Br N O3 -","- C80 H100 Br4 N4 O12 -","4","1","","K. C. Nicolaou; Adrian Ortiz; Hongjun Zhang; Philippe Dagneau; Andreas Lanver; Michael P. Jennings; Stellios Arseniyadis; Raffaella Faraoni; Dimitrios E. Lizos","Total Synthesis and Structural Revision of Vannusals A and B: Synthesis of the Originally Assigned Structure of Vannusal B","Journal of the American Chemical Society","2010","132","","7138","7152","10.1021/ja100740t","","","0.71073","MoKα","","0.0889","0.0529","","","0.1379","0.1576","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102416","38.042","0.008","11.144","0.002","26.725","0.005","90","","130.87","0.03","90","","8568","5","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C40 H51 Br N O6 -","- C40 H52 Br N O6 -","- C320 H416 Br8 N8 O48 -","8","2","","K. C. Nicolaou; Adrian Ortiz; Hongjun Zhang; Philippe Dagneau; Andreas Lanver; Michael P. Jennings; Stellios Arseniyadis; Raffaella Faraoni; Dimitrios E. Lizos","Total Synthesis and Structural Revision of Vannusals A and B: Synthesis of the Originally Assigned Structure of Vannusal B","Journal of the American Chemical Society","2010","132","","7138","7152","10.1021/ja100740t","","","0.71073","MoKα","","0.1214","0.0713","","","0.1832","0.2194","","","","","","0.991","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102417","7.968","0.0016","11.498","0.002","15.381","0.003","103.76","0.03","97.93","0.03","97.76","0.03","1334.8","0.5","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H45 N O3 Si -","- C27 H45 N O3 Si -","- C54 H90 N2 O6 Si2 -","2","1","","K. C. Nicolaou; Adrian Ortiz; Hongjun Zhang; Graziano Guella","Total Synthesis and Structural Revision of Vannusals A and B: Synthesis of the True Structures of Vannusals A and B","Journal of the American Chemical Society","2010","132","","7153","7176","10.1021/ja100742b","","","0.71073","MoKα","","0.1034","0.0709","","","0.174","0.1884","","","","","","0.944","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102418","8.6041","0.0017","18.186","0.004","19.188","0.004","90","","90","","90","","3002.4","1.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H52 O4 Si -","- C29 H52 O4 Si -","- C116 H208 O16 Si4 -","4","1","","K. C. Nicolaou; Adrian Ortiz; Hongjun Zhang; Graziano Guella","Total Synthesis and Structural Revision of Vannusals A and B: Synthesis of the True Structures of Vannusals A and B","Journal of the American Chemical Society","2010","132","","7153","7176","10.1021/ja100742b","","","0.71073","MoKα","","0.0992","0.0736","","","0.1566","0.1694","","","","","","1.109","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102419","7.552","0.0015","10.867","0.002","19.923","0.004","101.99","0.03","94.72","0.03","90.48","0.03","1593.4","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H28 O4 -","- C17 H28 O4 -","- C68 H112 O16 -","4","2","","K. C. Nicolaou; Adrian Ortiz; Hongjun Zhang; Graziano Guella","Total Synthesis and Structural Revision of Vannusals A and B: Synthesis of the True Structures of Vannusals A and B","Journal of the American Chemical Society","2010","132","","7153","7176","10.1021/ja100742b","","","0.71073","MoKα","","0.2491","0.1097","","","0.1706","0.2166","","","","","","0.987","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102420","8.0392","0.0016","12.061","0.002","31.538","0.006","90","","90","","90","","3057.9","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 O7 -","- C32 H46 O7 -","- C128 H184 O28 -","4","1","","K. C. Nicolaou; Adrian Ortiz; Hongjun Zhang; Graziano Guella","Total Synthesis and Structural Revision of Vannusals A and B: Synthesis of the True Structures of Vannusals A and B","Journal of the American Chemical Society","2010","132","","7153","7176","10.1021/ja100742b","","","0.71073","MoKα","","0.0734","0.0587","","","0.1364","0.1444","","","","","","1.066","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102421","12.8642","0.0019","20.417","0.003","9.1652","0.0013","90","","90.062","0.012","90","","2407.2","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TRN-2-173","","","- C26 H31 N4 O5 -","- C26 H31 N4 O5 -","- C104 H124 N16 O20 -","4","1","","Timothy Newhouse; Chad A. Lewis; Kyle J. Eastman; Phil S. Baran","Scalable Total Syntheses of N-Linked Tryptamine Dimers by Direct Indole-Aniline Coupling: Psychotrimine and Kapakahines B and F","Journal of the American Chemical Society","2010","132","","7119","7137","10.1021/ja1009458","","","1.54178","CuKα","","0.1423","0.0663","","","0.1508","0.1873","","","","","","0.986","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102422","10.5748","0.0009","10.8805","0.001","13.204","0.0012","69.47","0.006","78.957","0.005","65.684","0.005","1294.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 I2 N4 O3 -","- C25 H25 I2 N4 O3 -","- C50 H50 I4 N8 O6 -","2","1","","Timothy Newhouse; Chad A. Lewis; Kyle J. Eastman; Phil S. Baran","Scalable Total Syntheses of N-Linked Tryptamine Dimers by Direct Indole-Aniline Coupling: Psychotrimine and Kapakahines B and F","Journal of the American Chemical Society","2010","132","","7119","7137","10.1021/ja1009458","","","1.54178","CuKα","","0.0394","0.0332","","","0.0815","0.0843","","","","","","1.046","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102423","10.6409","0.0009","10.9163","0.0009","7.4015","0.0006","90","","110.311","0.001","90","","806.3","0.12","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Fe2 N4 O4 S2 -","- C12 H10 Fe2 N4 O4 S2 -","- C24 H20 Fe4 N8 O8 S4 -","2","0.5","","Zachary J. Tonzetich; Hongxin Wang; Devrani Mitra; Christine E. Tinberg; Loi H. Do; Francis E. Jenney; Michael W. W. Adams; Stephen P. Cramer; Stephen J. Lippard","Identification of Protein-Bound Dinitrosyl Iron Complexes by Nuclear Resonance Vibrational Spectroscopy","Journal of the American Chemical Society","2010","132","","6914","6916","10.1021/ja101002f","","","0.71073","MoKα","","0.015","0.0148","","","0.0398","0.0399","","","","","","1.155","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102424","8.1729","0.0013","10.0823","0.0017","15.84","0.003","90","","94.989","0.003","90","","1300.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Fe2 N5 O4 S2 -","- C20 H30 Fe2 N5 O4 S2 -","- C40 H60 Fe4 N10 O8 S4 -","2","0.5","","Zachary J. Tonzetich; Hongxin Wang; Devrani Mitra; Christine E. Tinberg; Loi H. Do; Francis E. Jenney; Michael W. W. Adams; Stephen P. Cramer; Stephen J. Lippard","Identification of Protein-Bound Dinitrosyl Iron Complexes by Nuclear Resonance Vibrational Spectroscopy","Journal of the American Chemical Society","2010","132","","6914","6916","10.1021/ja101002f","","","0.71073","MoKα","","0.0486","0.0343","","","0.0679","0.0736","","","","","","1.071","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102425","18.4727","0.0013","14.7923","0.001","13.2274","0.0009","90","","105.85","0.001","90","","3477","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 N10 O16.5 S2 -","- C24 H34 N10 O16.5 S2 -","- C96 H136 N40 O66 S8 -","4","1","","Radu Custelcean; Aurelien Bock; Bruce A. Moyer","Selectivity Principles in Anion Separation by Crystallization of Hydrogen-Bonding Capsules","Journal of the American Chemical Society","2010","132","","7177","7185","10.1021/ja101354r","","","0.71073","MoKα","","0.1031","0.0873","","","0.2547","0.2724","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102426","12.4707","0.0008","18.3638","0.0011","13.0812","0.0008","90","","91.486","0.001","90","","2994.7","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 Mg N20 O16 S0.35 Se0.65 -","- C48 H72 Mg N20 O16 S0.347 Se0.653 -","- C96 H144 Mg2 N40 O32 S0.694 Se1.306 -","2","0.5","","Radu Custelcean; Aurelien Bock; Bruce A. Moyer","Selectivity Principles in Anion Separation by Crystallization of Hydrogen-Bonding Capsules","Journal of the American Chemical Society","2010","132","","7177","7185","10.1021/ja101354r","","","0.71073","MoKα","","0.0549","0.0387","","","0.092","0.1004","","","","","","1.028","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102427","12.472","0.0008","18.3585","0.0011","13.058","0.0008","90","","91.49","0.001","90","","2988.8","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 Mg N20 O16 S0.52 Se0.48 -","- C48 H72 Mg N20 O16 S0.522 Se0.478 -","- C96 H144 Mg2 N40 O32 S1.044 Se0.956 -","2","0.5","","Radu Custelcean; Aurelien Bock; Bruce A. Moyer","Selectivity Principles in Anion Separation by Crystallization of Hydrogen-Bonding Capsules","Journal of the American Chemical Society","2010","132","","7177","7185","10.1021/ja101354r","","","0.71073","MoKα","","0.0612","0.0421","","","0.0947","0.1021","","","","","","1.043","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102428","12.4742","0.0008","18.3503","0.0011","13.0549","0.0008","90","","91.54","0.001","90","","2987.3","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 Mg N20 O16 S0.57 Se0.43 -","- C48 H72 Mg N20 O16 S0.569 Se0.431 -","- C96 H144 Mg2 N40 O32 S1.138 Se0.862 -","2","0.5","","Radu Custelcean; Aurelien Bock; Bruce A. Moyer","Selectivity Principles in Anion Separation by Crystallization of Hydrogen-Bonding Capsules","Journal of the American Chemical Society","2010","132","","7177","7185","10.1021/ja101354r","","","0.71073","MoKα","","0.0652","0.0434","","","0.0944","0.1034","","","","","","1.029","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102429","14.5468","0.0009","15.2501","0.001","17.7653","0.0012","102.369","0.001","90.138","0.001","97.355","0.001","3816.1","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H125 N8 Na O4 Si10 U2 -","- C44 H123 N8 Na O4 Si10 U2 -","- C88 H246 N16 Na2 O8 Si20 U4 -","2","1","","Skye Fortier; Guang Wu; Trevor W. Hayton","Synthesis of a Nitrido-Substituted Analogue of the Uranyl Ion, [N=U=O]+","Journal of the American Chemical Society","2010","132","","6888","6889","10.1021/ja101567h","","","0.71073","MoKα","","0.1521","0.064","","","0.1183","0.1467","","","","","","0.873","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102430","12.188","0.0016","25.359","0.003","18.12","0.002","90","","96.97","0.002","90","","5559.1","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H89 N6 Si10 U2 -","- C30 H84 N6 Si10 U2 -","- C120 H336 N24 Si40 U8 -","4","1","","Skye Fortier; Guang Wu; Trevor W. Hayton","Synthesis of a Nitrido-Substituted Analogue of the Uranyl Ion, [N=U=O]+","Journal of the American Chemical Society","2010","132","","6888","6889","10.1021/ja101567h","","","0.71073","MoKα","","0.0675","0.0434","","","0.1127","0.1314","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102431","13.891","0.002","22.52","0.003","22.837","0.003","90","","91.564","0.002","90","","7141.3","1.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42.75 H120.5 N6 Na O5.25 Si10 U2 -","- C41 H107 N6 Na O5.25 Si10 U2 -","- C164 H428 N24 Na4 O21 Si40 U8 -","4","1","","Skye Fortier; Guang Wu; Trevor W. Hayton","Synthesis of a Nitrido-Substituted Analogue of the Uranyl Ion, [N=U=O]+","Journal of the American Chemical Society","2010","132","","6888","6889","10.1021/ja101567h","","","0.71073","MoKα","","0.1272","0.0571","","","0.116","0.1453","","","","","","0.963","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102432","10.578","0.002","14.574","0.003","16.226","0.004","65.745","0.004","77.764","0.004","82.348","0.004","2225.9","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H53 N4 Rh -","- C56 H53 N4 Rh -","- C112 H106 N8 Rh2 -","2","1","","Yun Wai Chan; Kin Shing Chan","Metalloradical-Catalyzed Aliphatic Carbon-Carbon Activation of Cyclooctane","Journal of the American Chemical Society","2010","132","","6920","6922","10.1021/ja101586w","","","0.71073","MoKα","","0.0522","0.0424","","","0.1119","0.1208","","","","","","1.054","","","","has coordinates,has disorder","156328","2020-10-21","18:00:00",""
"4102433","23.601","0.004","25.572","0.005","27.944","0.005","90","","90","","90","","16865","5","90","2","90","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C103 H210 N45.62 O63.86 Pt6 -","- C103 H146 N45.62 O63.86 Pt6 -","- C412 H584 N182.48 O255.44 Pt24 -","4","1","","Tomohisa Sawada; Makoto Fujita","A Single Watson-Crick G.C Base Pair in Water: Aqueous Hydrogen Bonds in Hydrophobic Cavities","Journal of the American Chemical Society","2010","132","","7194","7201","10.1021/ja101718c","","","0.71073","MoKα","","0.0748","0.0496","","","0.1293","0.1459","","","","","","1.075","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102434","15.826","0.002","15.826","0.002","21.639","0.006","90","","90","","90","","5419.8","1.8","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C58 H44 Cd Cl2 N12 O12 -","- C58 H44 Cd Cl2 N12 O12 -","- C232 H176 Cd4 Cl8 N48 O48 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0831","0.0783","","","0.2143","0.2177","","","","","","1.133","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102435","15.8539","0.001","15.8539","0.001","21.66","0.003","90","","90","","90","","5444.2","0.9","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C58 H44 Cd Cl2 N12 O12 -","- C58 H44 Cd Cl2 N12 O12 -","- C232 H176 Cd4 Cl8 N48 O48 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.07","0.0638","","","0.1725","0.1775","","","","","","1.11","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102436","15.8773","0.0012","15.8773","0.0012","21.684","0.003","90","","90","","90","","5466.3","1","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C58 H44 Cd Cl2 N12 O12 -","- C58 H44 Cd Cl2 N12 O12 -","- C232 H176 Cd4 Cl8 N48 O48 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0728","0.0622","","","0.1704","0.1786","","","","","","1.091","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102437","15.937","0.002","15.937","0.002","21.884","0.007","90","","90","","90","","5558","2","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C58 H44 Cd Cl2 N12 O12 -","- C58 H44 Cd Cl2 N12 O12 -","- C232 H176 Cd4 Cl8 N48 O48 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0672","0.0578","","","0.1607","0.1671","","","","","","1.106","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102438","15.8926","0.0019","15.8926","0.0019","21.972","0.005","90","","90","","90","","5549.6","1.6","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C58 H44 Cd Cl2 N12 O12 -","- C58 H44 Cd Cl2 N12 O12 -","- C232 H176 Cd4 Cl8 N48 O48 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0685","0.0554","","","0.1533","0.165","","","","","","1.052","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102439","15.8318","0.0013","15.8318","0.0013","21.957","0.004","90","","90","","90","","5503.4","1.2","123","2","123","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C58 H44 Cd Cl2 N12 O10 S2 -","- C58 H44 Cd Cl2 N12 O10 S2 -","- C232 H176 Cd4 Cl8 N48 O40 S8 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0686","0.0593","","","0.1471","0.1526","","","","","","1.089","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102440","15.844","0.001","15.844","0.001","21.837","0.003","90","","90","","90","","5481.8","0.9","123","2","123","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C58 H44 Cd Cl2 N12 O10 S2 -","- C58 H44 Cd Cl2 N12 O10 S2 -","- C232 H176 Cd4 Cl8 N48 O40 S8 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0723","0.0584","","","0.1425","0.1512","","","","","","1.078","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102441","15.8792","0.0011","15.8792","0.0011","21.594","0.003","90","","90","","90","","5444.9","0.9","123","2","123","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C53 H40 Cd Cl2 N12 O9 S -","- C53 H40 Cd Cl2 N12 O9 S -","- C212 H160 Cd4 Cl8 N48 O36 S4 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0877","0.0693","","","0.1682","0.1774","","","","","","1.11","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102442","15.8271","0.0009","15.8271","0.0009","21.856","0.002","90","","90","","90","","5474.9","0.7","123","2","123","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C58 H44 Cd Cl2 N12 O10 S2 -","- C58 H44 Cd Cl2 N12 O10 S2 -","- C232 H176 Cd4 Cl8 N48 O40 S8 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0578","0.0521","","","0.1344","0.1388","","","","","","1.077","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102443","15.8731","0.001","15.8731","0.001","21.776","0.003","90","","90","","90","","5486.6","0.9","123","2","123","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C53 H40 Cd Cl2 N12 O9 S -","- C53 H40 Cd Cl2 N12 O9 S -","- C212 H160 Cd4 Cl8 N48 O36 S4 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0708","0.0632","","","0.169","0.1749","","","","","","1.097","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102444","15.877","0.0012","15.877","0.0012","21.806","0.003","90","","90","","90","","5496.8","1","123","2","123","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C53 H40 Cd Cl2 N12 O9 S -","- C53 H40 Cd Cl2 N12 O9 S -","- C212 H160 Cd4 Cl8 N48 O36 S4 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0756","0.0706","","","0.1819","0.1856","","","","","","1.165","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102445","15.8721","0.0009","15.8721","0.0009","21.636","0.003","90","","90","","90","","5450.6","0.9","123","2","123","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C53 H40 Cd Cl2 N12 O9 S -","- C53 H40 Cd Cl2 N12 O9 S -","- C212 H160 Cd4 Cl8 N48 O36 S4 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0651","0.0595","","","0.1659","0.1698","","","","","","1.14","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102446","15.8496","0.0016","15.8496","0.0016","21.709","0.004","90","","90","","90","","5453.5","1.3","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0554","0.0501","","","0.1294","0.1328","","","","","","1.082","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102447","15.8633","0.0016","15.8633","0.0016","21.76","0.003","90","","90","","90","","5475.8","1.1","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0542","0.0489","","","0.1329","0.1383","","","","","","1.091","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102448","15.8635","0.0008","15.8635","0.0008","21.463","0.002","90","","90","","90","","5401.2","0.6","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0449","0.0423","","","0.1138","0.116","","","","","","1.065","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102449","15.8832","0.0012","15.8832","0.0012","21.7","0.003","90","","90","","90","","5474.4","1","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0612","0.0531","","","0.1429","0.1482","","","","","","1.067","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102450","15.8725","0.0012","15.8725","0.0012","21.673","0.003","90","","90","","90","","5460.2","1","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0581","0.0528","","","0.1492","0.1533","","","","","","1.078","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102451","15.8878","0.0011","15.8878","0.0011","21.703","0.003","90","","90","","90","","5478.3","0.9","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0627","0.0544","","","0.1463","0.1524","","","","","","1.08","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102452","15.88","0.0013","15.88","0.0013","21.505","0.003","90","","90","","90","","5423","1","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.074","0.0521","","","0.131","0.143","","","","","","1.041","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102453","15.8809","0.0012","15.8809","0.0012","21.81","0.003","90","","90","","90","","5500.5","1","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0678","0.0563","","","0.1521","0.1616","","","","","","1.067","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102454","15.8508","0.0009","15.8508","0.0009","21.766","0.002","90","","90","","90","","5468.7","0.7","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C60 H50 Cd Cl2 N14 O8 -","- C60 H50 Cd Cl2 N14 O8 -","- C240 H200 Cd4 Cl8 N56 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0571","0.0543","","","0.154","0.1559","","","","","","1.107","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102455","15.8548","0.001","15.8548","0.001","21.746","0.003","90","","90","","90","","5466.4","0.9","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C60 H50 Cd Cl2 N14 O8 -","- C60 H50 Cd Cl2 N14 O8 -","- C240 H200 Cd4 Cl8 N56 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0498","0.0482","","","0.1381","0.1398","","","","","","1.086","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102456","15.8029","0.0019","15.8029","0.0019","21.845","0.005","90","","90","","90","","5455.4","1.6","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C60 H50 Cd Cl2 N14 O8 -","- C60 H50 Cd Cl2 N14 O8 -","- C240 H200 Cd4 Cl8 N56 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0539","0.0498","","","0.1353","0.1404","","","","","","1.081","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102457","15.8562","0.0013","15.8562","0.0013","21.765","0.004","90","","90","","90","","5472.1","1.2","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C60 H50 Cd Cl2 N14 O8 -","- C60 H50 Cd Cl2 N14 O8 -","- C240 H200 Cd4 Cl8 N56 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0534","0.0505","","","0.1416","0.1444","","","","","","1.08","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102458","17.302","0.006","15.691","0.006","21.597","0.007","90","","110.365","0.014","90","","5497","3","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.18 H40.18 Mn2 N28 O14 -","- C40.1756 H40.1756 Mn2 N28 O14 -","- C160.702 H160.702 Mn8 N112 O56 -","4","0.5","","Yasushi Morita; Yumi Yakiyama; Shigeaki Nakazawa; Tsuyoshi Murata; Tomoaki Ise; Daisuke Hashizume; Daisuke Shiomi; Kazunobu Sato; Masahiro Kitagawa; Kazuhiro Nakasuji; Takeji Takui","Triple-Stranded Metallo-Helicates Addressable as Lloyd's Electron Spin Qubits","Journal of the American Chemical Society","2010","132","","6944","6946","10.1021/ja102030w","","","0.71073","MoKα","","0.0527","0.0451","","","0.1352","0.1446","","","","","","1.043","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102459","27.4205","0.0013","12.9142","0.0008","17.9911","0.0009","90","","99.7512","0.0012","90","","6278.9","0.6","293.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 Cl3 N14 O8 Zn -","- C21 H22 Cl3 N14 O8 Zn -","- C168 H176 Cl24 N112 O64 Zn8 -","8","1","","Yasushi Morita; Yumi Yakiyama; Shigeaki Nakazawa; Tsuyoshi Murata; Tomoaki Ise; Daisuke Hashizume; Daisuke Shiomi; Kazunobu Sato; Masahiro Kitagawa; Kazuhiro Nakasuji; Takeji Takui","Triple-Stranded Metallo-Helicates Addressable as Lloyd's Electron Spin Qubits","Journal of the American Chemical Society","2010","132","","6944","6946","10.1021/ja102030w","","","0.71075","MoKα","","","0.0708","","","","0.1771","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102460","27.4347","0.0007","12.942","0.0003","18.0111","0.0005","90","","99.7962","0.0011","90","","6301.8","0.3","200.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 Cl3 N14 O8 Zn -","- C21 H22 Cl3 N14 O8 Zn -","- C168 H176 Cl24 N112 O64 Zn8 -","8","1","","Yasushi Morita; Yumi Yakiyama; Shigeaki Nakazawa; Tsuyoshi Murata; Tomoaki Ise; Daisuke Hashizume; Daisuke Shiomi; Kazunobu Sato; Masahiro Kitagawa; Kazuhiro Nakasuji; Takeji Takui","Triple-Stranded Metallo-Helicates Addressable as Lloyd's Electron Spin Qubits","Journal of the American Chemical Society","2010","132","","6944","6946","10.1021/ja102030w","","","0.71075","MoKα","","","0.0631","","","","0.1443","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102461","8.9031","0.0009","10.912","0.0011","14.4304","0.0015","103.615","0.001","102.272","0.002","97.529","0.001","1307","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cu2 N4 O9 S2 -","- C22 H26 Cu2 N4 O9 S2 -","- C44 H52 Cu4 N8 O18 S4 -","2","1","","Honghan Fei; David L. Rogow; Scott R. J. Oliver","Reversible Anion Exchange and Catalytic Properties of Two Cationic Metal-Organic Frameworks Based on Cu(I) and Ag(I)","Journal of the American Chemical Society","2010","132","","7202","7209","10.1021/ja102134c","","","0.7749","synchrotron","","0.05","0.0371","","","0.0957","0.1021","","","","","","1.037","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102462","7.353","0.0006","17.5538","0.0013","24.646","0.0018","90","","92.247","0.005","90","","3178.7","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H58 B4 Br4 N4 O25 -","- C55 H58 B4 Br4 N4 O25 -","- C110 H116 B8 Br8 N8 O50 -","2","0.5","","Eric M. Woerly; Alan H. Cherney; Erin K. Davis; Martin D. Burke","Stereoretentive Suzuki-Miyaura Coupling of Haloallenes Enables Fully Stereocontrolled Access to (-)-Peridinin","Journal of the American Chemical Society","2010","132","","6941","6943","10.1021/ja102721p","","","0.71073","MoKα","","0.1661","0.0466","","","0.0834","0.117","","","","","","0.97","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102463","8.0323","0.0004","12.7196","0.0006","15.1008","0.0007","90","","90.019","0.003","90","","1542.81","0.13","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 I O3 -","- C13 H19 I O3 -","- C52 H76 I4 O12 -","4","2","","Eric M. Woerly; Alan H. Cherney; Erin K. Davis; Martin D. Burke","Stereoretentive Suzuki-Miyaura Coupling of Haloallenes Enables Fully Stereocontrolled Access to (-)-Peridinin","Journal of the American Chemical Society","2010","132","","6941","6943","10.1021/ja102721p","","","0.71073","MoKα","","0.0384","0.0293","","","0.0613","0.0652","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102464","9.35","0.003","9.005","0.003","14.078","0.004","90","","115.103","0.005","90","","1073.4","0.6","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 B Br N O4 -","- C8 H11 B Br N O4 -","- C32 H44 B4 Br4 N4 O16 -","4","1","","Eric M. Woerly; Alan H. Cherney; Erin K. Davis; Martin D. Burke","Stereoretentive Suzuki-Miyaura Coupling of Haloallenes Enables Fully Stereocontrolled Access to (-)-Peridinin","Journal of the American Chemical Society","2010","132","","6941","6943","10.1021/ja102721p","","","0.71073","MoKα","","0.0386","0.0331","","","0.09","0.0936","","","","","","1.053","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102465","12.221","0.0003","7.726","0.0002","14.1518","0.0003","90","","90.599","0.002","90","","1336.13","0.06","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H43 B O4 Si -","- C23 H43 B O4 Si -","- C46 H86 B2 O8 Si2 -","2","1","","Eric M. Woerly; Alan H. Cherney; Erin K. Davis; Martin D. Burke","Stereoretentive Suzuki-Miyaura Coupling of Haloallenes Enables Fully Stereocontrolled Access to (-)-Peridinin","Journal of the American Chemical Society","2010","132","","6941","6943","10.1021/ja102721p","","","0.71073","MoKα","","0.0484","0.037","","","0.0818","0.087","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102466","9.9461","0.0019","12.038","0.002","14.418","0.003","106.355","0.003","103.637","0.003","91.494","0.002","1601.8","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C48 H97 N2 O41.5 -","- C48 H97 N2 O41.5 -","- C48 H97 N2 O41.5 -","1","1","","Shenshen Hu; Jiuyuan Li; Junfeng Xiang; Jie Pan; Sanzhong Luo; Jin-Pei Cheng","Asymmetric Supramolecular Primary Amine Catalysis in Aqueous Buffer: Connections of Selective Recognition and Asymmetric Catalysis","Journal of the American Chemical Society","2010","132","","7216","7228","10.1021/ja102819g","","","0.71073","MoKα","","0.0522","0.0504","","","0.1282","0.13","","","","","","1.091","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102467","17.3691","0.0003","13.0764","0.0002","15.8971","0.0003","90","","111.277","0.002","90","","3364.52","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 N4 Si -","- C36 H50 N4 Si -","- C144 H200 N16 Si4 -","4","1","","Yun Xiong; Shenglai Yao; Robert Müller; Martin Kaupp; Matthias Driess","Activation of Ammonia by a Si=O Double Bond and Formation of a Unique Pair of Sila-Hemiaminal and Silanoic Amide Tautomers","Journal of the American Chemical Society","2010","132","","6912","6913","10.1021/ja1031024","","","0.71073","MoKα","","0.0578","0.0445","","","0.101","0.1068","","","","","","1.077","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102468","9.2101","0.0003","12.0914","0.0004","18.2291","0.0007","95.548","0.003","104.5","0.003","94.189","0.003","1946.19","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H54 Cl4 N4 O Si -","- C38 H54 Cl4 N4 O Si -","- C76 H108 Cl8 N8 O2 Si2 -","2","1","","Yun Xiong; Shenglai Yao; Robert Müller; Martin Kaupp; Matthias Driess","Activation of Ammonia by a Si=O Double Bond and Formation of a Unique Pair of Sila-Hemiaminal and Silanoic Amide Tautomers","Journal of the American Chemical Society","2010","132","","6912","6913","10.1021/ja1031024","","","0.71073","MoKα","","0.0668","0.0543","","","0.1332","0.1393","","","","","","1.118","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102469","23.9515","0.0009","20.835","0.0007","28.7818","0.0013","90","","109.422","0.005","90","","13545.6","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C143 H199 N12 O4 Si4 -","- C143 H199 N12 O4 Si4 -","- C572 H796 N48 O16 Si16 -","4","1","","Yun Xiong; Shenglai Yao; Robert Müller; Martin Kaupp; Matthias Driess","Activation of Ammonia by a Si=O Double Bond and Formation of a Unique Pair of Sila-Hemiaminal and Silanoic Amide Tautomers","Journal of the American Chemical Society","2010","132","","6912","6913","10.1021/ja1031024","","","0.71073","MoKα","","0.1354","0.0589","","","0.1004","0.1182","","","","","","0.889","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102470","12.107","0.005","12.881","0.005","18.51","0.005","102.521","0.005","103.388","0.005","103.748","0.005","2612.4","1.6","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H20 Cl4 F20 N6 Ni2 O2 -","- C58 H20 Cl4 F20 N6 Ni2 O2 -","- C116 H40 Cl8 F40 N12 Ni4 O4 -","2","1","","Taro Koide; Ko Furukawa; Hiroshi Shinokubo; Jae-Yoon Shin; Kil Suk Kim; Dongho Kim; Atsuhiro Osuka","A Stable Non-Kekulé Singlet Biradicaloid from meso-Free 5,10,20,25-Tetrakis(Pentafluorophenyl)-Substituted [26]Hexaphyrin(1.1.1.1.1.1)","Journal of the American Chemical Society","2010","132","","7246","7247","10.1021/ja101040s","","","0.71069","MoKα","","0.1102","0.0695","","","0.1763","0.2034","","","","","","1.029","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102471","10.068","0.004","27.269","0.007","11.909","0.004","90","","113.082","0.013","90","","3007.8","1.8","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C62 H32 Cl8 F20 N6 O2 -","- C62 H32 Cl8 F20 N6 O2 -","- C124 H64 Cl16 F40 N12 O4 -","2","0.5","","Taro Koide; Ko Furukawa; Hiroshi Shinokubo; Jae-Yoon Shin; Kil Suk Kim; Dongho Kim; Atsuhiro Osuka","A Stable Non-Kekulé Singlet Biradicaloid from meso-Free 5,10,20,25-Tetrakis(Pentafluorophenyl)-Substituted [26]Hexaphyrin(1.1.1.1.1.1)","Journal of the American Chemical Society","2010","132","","7246","7247","10.1021/ja101040s","","","0.71075","MoKα","","0.1091","0.0778","","","0.2301","0.2555","","","","","","1.071","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102472","9.0488","0.0006","19.7697","0.0013","23.4059","0.0015","90","","94.775","0.002","90","","4172.6","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H50 I2 N O3 Si2 U -","- C35 H50 I2 N O3 Si2 U -","- C140 H200 I8 N4 O12 Si8 U4 -","4","1","","Jessie L. Brown; Guang Wu; Trevor W. Hayton","Oxo Ligand Silylation in a Uranyl β-Ketoiminate Complex","Journal of the American Chemical Society","2010","132","","7248","7249","10.1021/ja1013739","","","0.71073","MoKα","","0.0618","0.045","","","0.1064","0.1187","","","","","","1.119","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102473","15.8994","0.001","19.2681","0.0013","22.9828","0.0014","90","","90","","90","","7040.8","0.8","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C68 H86 F6 N2 O12 S2 U -","- C68 H75 F6 N2 O12 S2 U -","- C272 H300 F24 N8 O48 S8 U4 -","4","1","","Jessie L. Brown; Guang Wu; Trevor W. Hayton","Oxo Ligand Silylation in a Uranyl β-Ketoiminate Complex","Journal of the American Chemical Society","2010","132","","7248","7249","10.1021/ja1013739","","","0.71073","MoKα","","0.0942","0.063","","","0.1458","0.1612","","","","","","0.983","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102474","7.781","0.002","9.048","0.003","10.23","0.003","111.583","0.004","101.318","0.004","101.33","0.004","627.5","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H22 B2 N Na O2 -","- C8 H22 B2 N Na O2 -","- C16 H44 B4 N2 Na2 O4 -","2","1","","Scott R. Daly; Brian J. Bellott; Do Young Kim; Gregory S. Girolami","Synthesis of the Long-Sought Unsubstituted Aminodiboranate Na(H3B-NH2-BH3) and Its N-Alkyl Analogs","Journal of the American Chemical Society","2010","132","","7254","7255","10.1021/ja1016427","","","0.71073","MoKα","","0.0905","0.0525","","","0.1489","0.1586","","","","","","0.962","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102475","8.2911","0.0003","9.9884","0.0004","10.8264","0.0004","91.984","0.002","97.495","0.002","114.189","0.002","807.02","0.05","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H14 B2 N Na O -","- C3 H14 B2 N Na O -","- C12 H56 B8 N4 Na4 O4 -","4","2","","Scott R. Daly; Brian J. Bellott; Do Young Kim; Gregory S. Girolami","Synthesis of the Long-Sought Unsubstituted Aminodiboranate Na(H3B-NH2-BH3) and Its N-Alkyl Analogs","Journal of the American Chemical Society","2010","132","","7254","7255","10.1021/ja1016427","","","0.71073","MoKα","","0.043","0.0319","","","0.0781","0.082","","","","","","1.007","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102476","9.9649","0.0004","21.9294","0.0008","11.2331","0.0004","90","","90.552","0.002","90","","2454.59","0.16","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H40 B2 Cl2 Er N O4 -","- C16 H40 B2 Cl2 Er N O4 -","- C64 H160 B8 Cl8 Er4 N4 O16 -","4","1","","Scott R. Daly; Brian J. Bellott; Do Young Kim; Gregory S. Girolami","Synthesis of the Long-Sought Unsubstituted Aminodiboranate Na(H3B-NH2-BH3) and Its N-Alkyl Analogs","Journal of the American Chemical Society","2010","132","","7254","7255","10.1021/ja1016427","","","0.71073","MoKα","","0.0303","0.0229","","","0.0525","0.0554","","","","","","1.073","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102477","7.9953","0.0012","8.958","0.0013","9.566","0.002","106.786","0.004","98.357","0.002","110.88","0.002","588.79","0.18","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H20 B2 N Na O2 -","- C6 H20 B2 N Na O2 -","- C12 H40 B4 N2 Na2 O4 -","2","1","","Scott R. Daly; Brian J. Bellott; Do Young Kim; Gregory S. Girolami","Synthesis of the Long-Sought Unsubstituted Aminodiboranate Na(H3B-NH2-BH3) and Its N-Alkyl Analogs","Journal of the American Chemical Society","2010","132","","7254","7255","10.1021/ja1016427","","","0.71073","MoKα","","0.0933","0.0547","","","0.1555","0.1751","","","","","","1.094","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102478","9.974","0.002","13.917","0.003","15.741","0.003","96.21","0.03","100.13","0.03","110.94","0.03","1973.8","0.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H90 N4 Na2 O14 -","- C86 H90 N4 Na2 O14 -","- C86 H90 N4 Na2 O14 -","1","0.5","","Qiang Zhang; Ming Cheng; Xiaoyu Hu; Bo-Gang Li; Jian-Xin Ji","Gold-Catalyzed Three-Component Tandem Process: An Efficient and Facile Assembly of Complex Butenolides from Alkynes, Amines, and Glyoxylic Acid","Journal of the American Chemical Society","2010","132","","7256","7257","10.1021/ja101804p","","","0.71073","MoKα","","0.0735","0.0418","","","0.1155","0.147","","","","","","1.165","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102479","15.1267","0.0009","20.0939","0.0013","7.4239","0.0005","90","","90","","90","","2256.5","0.2","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H34 Cl6 Cu N4 O3 -","- C12 H34 Cl6 Cu N4 O3 -","- C48 H136 Cl24 Cu4 N16 O12 -","4","1","","Wen Zhang; Heng-Yun Ye; Hong-Ling Cai; Jia-Zhen Ge; Ren-Gen Xiong; Songping D. Huang","Discovery of New Ferroelectrics: [H2dbco]2.[Cl3].[CuCl3(H2O)2].H2O (dbco = 1,4-Diaza-bicyclo[2.2.2]octane)","Journal of the American Chemical Society","2010","132","","7300","7302","10.1021/ja102573h","","","0.71073","MoKα","","0.0408","0.0363","","","0.0821","0.0962","","","","","","1.104","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102480","15.0638","0.0008","20.0568","0.0015","7.4158","0.0005","90","","90","","90","","2240.5","0.3","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H34 Cl6 Cu N4 O3 -","- C12 H34 Cl6 Cu N4 O3 -","- C48 H136 Cl24 Cu4 N16 O12 -","4","1","","Wen Zhang; Heng-Yun Ye; Hong-Ling Cai; Jia-Zhen Ge; Ren-Gen Xiong; Songping D. Huang","Discovery of New Ferroelectrics: [H2dbco]2.[Cl3].[CuCl3(H2O)2].H2O (dbco = 1,4-Diaza-bicyclo[2.2.2]octane)","Journal of the American Chemical Society","2010","132","","7300","7302","10.1021/ja102573h","","","0.71073","MoKα","","0.0322","0.0306","","","0.0836","0.0909","","","","","","1.144","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102481","15.209","0.006","7.457","0.003","20.158","0.008","90","","90","","90","","2286.2","1.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H34 Cl6 Cu N4 O3 -","- C12 H34 Cl6 Cu N4 O3 -","- C48 H136 Cl24 Cu4 N16 O12 -","4","0.5","","Wen Zhang; Heng-Yun Ye; Hong-Ling Cai; Jia-Zhen Ge; Ren-Gen Xiong; Songping D. Huang","Discovery of New Ferroelectrics: [H2dbco]2.[Cl3].[CuCl3(H2O)2].H2O (dbco = 1,4-Diaza-bicyclo[2.2.2]octane)","Journal of the American Chemical Society","2010","132","","7300","7302","10.1021/ja102573h","","","0.71073","MoKα","","0.0625","0.0554","","","0.1729","0.1839","","","","","","1.331","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102482","9.2753","0.0019","15.671","0.003","17.772","0.004","90","","90","","90","","2583.2","0.9","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 O8 -","- C32 H30 O8 -","- C128 H120 O32 -","4","1","","K. C. Nicolaou; Qiang Kang; T. Robert Wu; Chek Shik Lim; David Y.-K. Chen","Total Synthesis and Biological Evaluation of the Resveratrol-Derived Polyphenol Natural Products Hopeanol and Hopeahainol A","Journal of the American Chemical Society","2010","132","","7540","7548","10.1021/ja102623j","","","0.71073","MoKα","","0.0527","0.049","","","0.1226","0.1273","","","","","","1.092","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102483","10.659","0.002","11.461","0.002","12.651","0.003","110.36","0.03","104.81","0.03","97.4","0.03","1359.8","0.7","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H30 O9 -","- C34 H30 O9 -","- C68 H60 O18 -","2","1","","K. C. Nicolaou; Qiang Kang; T. Robert Wu; Chek Shik Lim; David Y.-K. Chen","Total Synthesis and Biological Evaluation of the Resveratrol-Derived Polyphenol Natural Products Hopeanol and Hopeahainol A","Journal of the American Chemical Society","2010","132","","7540","7548","10.1021/ja102623j","","","0.71073","MoKα","","0.0691","0.0626","","","0.1627","0.1713","","","","","","1.143","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102484","12.148","0.003","11.807","0.002","20.471","0.003","90","","90.269","0.015","90","","2936.2","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 N2 O -","- C34 H39 N2 O -","- C136 H156 N8 O4 -","4","1","","Daniel Mendoza-Espinosa; Bruno Donnadieu; Guy Bertrand","Synthesis of 4- and 4,5-Functionalized Imidazol-2-ylidenes from a Single 4,5-Unsubstituted Imidazol-2-ylidene","Journal of the American Chemical Society","2010","132","","7264","7265","10.1021/ja102639a","","","0.71073","MoKα","","0.085","0.0763","","","0.219","0.2273","","","","","","1.114","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102485","16.5148","0.0017","10.5459","0.0012","20.489","0.002","90","","107.355","0.003","90","","3406","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45 N2 P -","- C39 H45 N2 P -","- C156 H180 N8 P4 -","4","1","","Daniel Mendoza-Espinosa; Bruno Donnadieu; Guy Bertrand","Synthesis of 4- and 4,5-Functionalized Imidazol-2-ylidenes from a Single 4,5-Unsubstituted Imidazol-2-ylidene","Journal of the American Chemical Society","2010","132","","7264","7265","10.1021/ja102639a","","","0.71073","MoKα","","0.0679","0.0437","","","0.0998","0.1148","","","","","","1.025","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102486","10.2949","0.0004","11.0431","0.0005","12.1455","0.0005","90.047","0.002","109.009","0.002","105.465","0.002","1252.39","0.09","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","2","","Shunsuke Chiba; Line Zhang; Jian-Yuan Lee","Copper-Catalyzed Synthesis of Azaspirocyclohexadienones from α-Azido-N-arylamides under an Oxygen Atmosphere","Journal of the American Chemical Society","2010","132","","7266","7267","10.1021/ja1027327","","","0.71073","MoKα","","0.0558","0.0427","","","0.1185","0.1366","","","","","","1.068","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102487","7.0717","0.0009","10.4575","0.0014","11.1343","0.0015","79.445","0.008","73.634","0.007","76.889","0.007","763.16","0.18","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C38 H28 N4 O4 -","2","1","","Shunsuke Chiba; Line Zhang; Jian-Yuan Lee","Copper-Catalyzed Synthesis of Azaspirocyclohexadienones from α-Azido-N-arylamides under an Oxygen Atmosphere","Journal of the American Chemical Society","2010","132","","7266","7267","10.1021/ja1027327","","","0.71073","MoKα","","0.0593","0.0453","","","0.128","0.143","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102488","14.4572","0.0006","8.1856","0.0003","24.7724","0.0012","90","","90","","90","","2931.6","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C136 H128 N16 O16 -","8","1","","Shunsuke Chiba; Line Zhang; Jian-Yuan Lee","Copper-Catalyzed Synthesis of Azaspirocyclohexadienones from α-Azido-N-arylamides under an Oxygen Atmosphere","Journal of the American Chemical Society","2010","132","","7266","7267","10.1021/ja1027327","","","0.71073","MoKα","","0.1099","0.0579","","","0.1458","0.1852","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102489","9.7481","0.0002","17.0985","0.0003","17.9066","0.0003","90","","102.687","0.001","90","","2911.76","0.09","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C136 H144 N16 O8 -","8","4","","Shunsuke Chiba; Line Zhang; Jian-Yuan Lee","Copper-Catalyzed Synthesis of Azaspirocyclohexadienones from α-Azido-N-arylamides under an Oxygen Atmosphere","Journal of the American Chemical Society","2010","132","","7266","7267","10.1021/ja1027327","","","0.71073","MoKα","","0.0528","0.0411","","","0.1035","0.1178","","","","","","1.059","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102490","12.9595","0.0001","16.0569","0.0002","13.3906","0.0002","90","","92.764","0.001","90","","2783.2","0.06","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C128 H128 N16 O16 -","8","4","","Shunsuke Chiba; Line Zhang; Jian-Yuan Lee","Copper-Catalyzed Synthesis of Azaspirocyclohexadienones from α-Azido-N-arylamides under an Oxygen Atmosphere","Journal of the American Chemical Society","2010","132","","7266","7267","10.1021/ja1027327","","","0.71073","MoKα","","0.0604","0.0413","","","0.1012","0.1248","","","","","","1.083","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102491","13.8529","0.0007","13.5891","0.0007","30.6143","0.0017","90","","90","","90","","5763.1","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H38 Cl F6 N5 P Pd -","- C25 H38 Cl F6 N5 P Pd -","- C200 H304 Cl8 F48 N40 P8 Pd8 -","8","1","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","Stable Mononuclear Organometallic Pd(III) Complexes and Their C-C Bond Formation Reactivity","Journal of the American Chemical Society","2010","132","","7303","7305","10.1021/ja103001g","","","0.71073","MoKα","","0.0368","0.0266","","","0.0586","0.0639","","","","","","1.075","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102492","18.5827","0.0019","12.2413","0.0013","13.9679","0.0014","90","","101.714","0.003","90","","3111.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Cl2 N5 O4 Pd -","- C30 H40 Cl2 N5 O4 Pd -","- C120 H160 Cl8 N20 O16 Pd4 -","4","1","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","Stable Mononuclear Organometallic Pd(III) Complexes and Their C-C Bond Formation Reactivity","Journal of the American Chemical Society","2010","132","","7303","7305","10.1021/ja103001g","","","0.71073","MoKα","","0.0384","0.0261","","","0.0567","0.0629","","","","","","1.032","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102493","13.8149","0.0012","13.4404","0.0011","29.924","0.003","90","","90","","90","","5556.2","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H41 Cl N5 O4 Pd -","- C26 H41 Cl N5 O4 Pd -","- C208 H328 Cl8 N40 O32 Pd8 -","8","1","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","Stable Mononuclear Organometallic Pd(III) Complexes and Their C-C Bond Formation Reactivity","Journal of the American Chemical Society","2010","132","","7303","7305","10.1021/ja103001g","","","0.71073","MoKα","","0.0258","0.023","","","0.0535","0.0548","","","","","","1.081","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102494","18.504","0.005","15.432","0.005","18.133","0.005","90","0.005","98.356","0.005","90","0.005","5123","3","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 B3 N12 U -","- C18 H24 B3 N12 U -","- C144 H192 B24 N96 U8 -","8","1","","Jeffrey D. Rinehart; Katie R. Meihaus; Jeffrey R. Long","Observation of a Secondary Slow Relaxation Process for the Field-Induced Single-Molecule Magnet U(H2BPz2)3","Journal of the American Chemical Society","2010","132","","7572","7573","10.1021/ja1009019","","","0.71069","MoKα","","0.0602","0.0313","","","0.0557","0.0639","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102495","8.866","0.002","11.297","0.003","11.831","0.003","90","","90","","90","","1185","0.5","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 -","- C14 H18 N2 -","- C56 H72 N8 -","4","1","","Sergey I. Druzhinin; Peter Mayer; Dietmar Stalke; Rixa von Bülow; Mathias Noltemeyer; Klaas A. Zachariasse","Intramolecular Charge Transfer with 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and Other Aminobenzonitriles. A Comparison of Experimental Vapor Phase Spectra and Crystal Structures with Calculations","Journal of the American Chemical Society","2010","132","","7730","7744","10.1021/ja101336n","","","0.71073","MoKα","","0.0353","0.0328","","","0.0856","0.0875","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102496","8.2067","0.0003","7.3911","0.0004","18.6167","0.0007","90","","98.415","0.002","90","","1117.07","0.08","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 -","- C13 H16 N2 -","- C52 H64 N8 -","4","1","","Sergey I. Druzhinin; Peter Mayer; Dietmar Stalke; Rixa von Bülow; Mathias Noltemeyer; Klaas A. Zachariasse","Intramolecular Charge Transfer with 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and Other Aminobenzonitriles. A Comparison of Experimental Vapor Phase Spectra and Crystal Structures with Calculations","Journal of the American Chemical Society","2010","132","","7730","7744","10.1021/ja101336n","","","0.71073","MoKα","","0.0671","0.0448","","","0.117","0.1319","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102497","8.4037","0.0003","7.1986","0.0003","17.2511","0.0007","90","","100.69","0.003","90","","1025.49","0.07","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 -","- C12 H14 N2 -","- C48 H56 N8 -","4","1","","Sergey I. Druzhinin; Peter Mayer; Dietmar Stalke; Rixa von Bülow; Mathias Noltemeyer; Klaas A. Zachariasse","Intramolecular Charge Transfer with 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and Other Aminobenzonitriles. A Comparison of Experimental Vapor Phase Spectra and Crystal Structures with Calculations","Journal of the American Chemical Society","2010","132","","7730","7744","10.1021/ja101336n","","","0.71073","MoKα","","0.0704","0.0541","","","0.1525","0.1636","","","","","","1.089","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102498","8.2311","0.0008","7.3758","0.0007","15.2252","0.0015","90","","93.874","0.002","90","","922.22","0.15","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 -","- C11 H12 N2 -","- C44 H48 N8 -","4","1","","Sergey I. Druzhinin; Peter Mayer; Dietmar Stalke; Rixa von Bülow; Mathias Noltemeyer; Klaas A. Zachariasse","Intramolecular Charge Transfer with 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and Other Aminobenzonitriles. A Comparison of Experimental Vapor Phase Spectra and Crystal Structures with Calculations","Journal of the American Chemical Society","2010","132","","7730","7744","10.1021/ja101336n","","","0.71073","MoKα","","0.0848","0.0823","","","0.168","0.1693","","","","","","1.291","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102499","8.1086","0.0008","15.061","0.0014","8.6327","0.0008","90","","90","","90","","1054.26","0.17","103","2","103","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C12 H14 N2 -","- C12 H14 N2 -","- C48 H56 N8 -","4","1","","Sergey I. Druzhinin; Peter Mayer; Dietmar Stalke; Rixa von Bülow; Mathias Noltemeyer; Klaas A. Zachariasse","Intramolecular Charge Transfer with 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and Other Aminobenzonitriles. A Comparison of Experimental Vapor Phase Spectra and Crystal Structures with Calculations","Journal of the American Chemical Society","2010","132","","7730","7744","10.1021/ja101336n","","","0.71073","MoKα","","0.0721","0.0714","","","0.1769","0.1773","","","","","","1.253","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102500","11.5057","0.0005","8.482","0.0005","19.2656","0.0012","90","","90","","90","","1880.16","0.18","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H12 N2 -","- C11 H12 N2 -","- C88 H96 N16 -","8","1","","Sergey I. Druzhinin; Peter Mayer; Dietmar Stalke; Rixa von Bülow; Mathias Noltemeyer; Klaas A. Zachariasse","Intramolecular Charge Transfer with 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and Other Aminobenzonitriles. A Comparison of Experimental Vapor Phase Spectra and Crystal Structures with Calculations","Journal of the American Chemical Society","2010","132","","7730","7744","10.1021/ja101336n","","","0.71073","MoKα","","0.0738","0.043","","","0.1048","0.1225","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102501","5.5395","0.0002","8.7722","0.0005","8.7887","0.0005","90","","90.678","0.003","90","","427.04","0.04","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H10 N2 -","- C10 H10 N2 -","- C20 H20 N4 -","2","1","","Sergey I. Druzhinin; Peter Mayer; Dietmar Stalke; Rixa von Bülow; Mathias Noltemeyer; Klaas A. Zachariasse","Intramolecular Charge Transfer with 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and Other Aminobenzonitriles. A Comparison of Experimental Vapor Phase Spectra and Crystal Structures with Calculations","Journal of the American Chemical Society","2010","132","","7730","7744","10.1021/ja101336n","","","0.71073","MoKα","","0.0538","0.0436","","","0.1104","0.117","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102502","16.649","0.003","14.441","0.002","20.354","0.003","90","","92.7","0.03","90","","4888.2","1.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N2 -","- C13 H18 N2 -","- C208 H288 N32 -","16","2","","Sergey I. Druzhinin; Peter Mayer; Dietmar Stalke; Rixa von Bülow; Mathias Noltemeyer; Klaas A. Zachariasse","Intramolecular Charge Transfer with 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and Other Aminobenzonitriles. A Comparison of Experimental Vapor Phase Spectra and Crystal Structures with Calculations","Journal of the American Chemical Society","2010","132","","7730","7744","10.1021/ja101336n","","","0.71073","MoKα","","0.0709","0.0491","","0.1328","0.1142","","","","1.051","1.063","1.063","","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102503","16.193","0.002","18.918","0.003","24.58","0.003","90","","90.428","0.002","90","","7529.6","1.8","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C40 H46 O2 S4 -","- C40 H46 O2 S4 -","- C320 H368 O16 S32 -","8","4","","Eric L. Dane; Sarah B. King; Timothy M. Swager","Conjugated Polymers That Respond to Oxidation with Increased Emission","Journal of the American Chemical Society","2010","132","","7758","7768","10.1021/ja1019063","","","0.71073","MoKα","","0.0998","0.0619","","","0.1413","0.1675","","","","","","1.018","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102504","10.2502","0.001","16.2024","0.0016","13.2468","0.0013","90","","106.117","0.002","90","","2113.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H54 O5 S4 -","- C44 H54 O5 S4 -","- C88 H108 O10 S8 -","2","0.5","","Eric L. Dane; Sarah B. King; Timothy M. Swager","Conjugated Polymers That Respond to Oxidation with Increased Emission","Journal of the American Chemical Society","2010","132","","7758","7768","10.1021/ja1019063","","","0.71073","MoKα","","0.0475","0.0391","","","0.1033","0.1107","","","","","","1.044","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102505","9.9066","0.0007","12.6542","0.0009","13.0668","0.0009","61.879","0.001","75.556","0.001","76.302","0.001","1385.32","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H36 I2 S4 -","- C24 H36 I2 S4 -","- C48 H72 I4 S8 -","2","1","","Eric L. Dane; Sarah B. King; Timothy M. Swager","Conjugated Polymers That Respond to Oxidation with Increased Emission","Journal of the American Chemical Society","2010","132","","7758","7768","10.1021/ja1019063","","","0.71073","MoKα","","0.0239","0.0211","","","0.0511","0.0526","","","","","","1.038","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102506","10.8588","0.0005","13.3188","0.0006","16.0558","0.0007","90","","97.524","0.001","90","","2302.1","0.18","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","ToMZnCl","tris(4,4-dimethyl-2-oxazolinyl)phenylborato chlorozinc","","- C21 H29 B Cl N3 O3 Zn -","- C21 H29 B Cl N3 O3 Zn -","- C84 H116 B4 Cl4 N12 O12 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Conversion of a Zinc Disilazide to a Zinc Hydride Mediated by LiCl","Journal of the American Chemical Society","2010","132","","7582","7583","10.1021/ja102323g","","","0.71073","MoKα","","0.0291","0.0244","","","0.0672","0.0694","","","","","","1.052","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102507","9.9164","0.0007","15.0927","0.001","24.2345","0.0016","97.893","0.001","98.38","0.001","106.934","0.001","3370.3","0.4","153","2","153","2","","","","","","","","7","P -1","-P 1","2","ToMZnN(SiHMe2)2","tris(4,4-dimethyl-2-oxazolinyl)phenylborato tetramethyldisilazato zinc","","- C28.5 H47 B N4 O3 Si2 Zn -","- C28.5 H47 B N4 O3 Si2 Zn -","- C114 H188 B4 N16 O12 Si8 Zn4 -","4","2","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Conversion of a Zinc Disilazide to a Zinc Hydride Mediated by LiCl","Journal of the American Chemical Society","2010","132","","7582","7583","10.1021/ja102323g","","","0.71073","MoKα","","0.0671","0.0431","","","0.105","0.1161","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102508","10.6937","0.0005","13.4024","0.0006","15.9975","0.0008","90","","99.784","0.001","90","","2259.43","0.18","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ToMZnH","tris(4,4-dimethyl-2-oxazolinyl)phenylborato hydridozinc","","- C21 H30 B N3 O3 Zn -","- C21 H30 B N3 O3 Zn -","- C84 H120 B4 N12 O12 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Conversion of a Zinc Disilazide to a Zinc Hydride Mediated by LiCl","Journal of the American Chemical Society","2010","132","","7582","7583","10.1021/ja102323g","","","0.71073","MoKα","","0.0329","0.0264","","","0.0688","0.0722","","","","","","1.024","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102509","8.9377","0.0005","11.6073","0.0007","13.8143","0.0009","96.095","0.001","108.524","0.001","91.233","0.001","1348.88","0.14","153","2","153","2","","","","","","","","6","P -1","-P 1","2","ToMZnOtBu","tris(4,4-dimethyl-2-oxazolinyl)phenylborato t-butoxido zinc","","- C25 H38 B N3 O4 Zn -","- C25 H38 B N3 O4 Zn -","- C50 H76 B2 N6 O8 Zn2 -","2","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Conversion of a Zinc Disilazide to a Zinc Hydride Mediated by LiCl","Journal of the American Chemical Society","2010","132","","7582","7583","10.1021/ja102323g","","","0.71073","MoKα","","0.0452","0.0341","","","0.0785","0.0833","","","","","","1.024","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102510","13.135","0.003","16.024","0.004","22.34","0.006","90","","98.613","0.004","90","","4649","2","153","2","153","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","[THF2Li][ToMZn(Cl)N(SiHMe2)2]","bis(tetrahydrofuran)lithium tris(4,4-dimethyl-2-oxazolinyl)phenylborato chloro tetramethyldisilazato Zinc","","- C37 H67 B Cl Li N4 O6 Si2 Zn -","- C37 H67 B Cl Li N4 O6 Si2 Zn -","- C148 H268 B4 Cl4 Li4 N16 O24 Si8 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Conversion of a Zinc Disilazide to a Zinc Hydride Mediated by LiCl","Journal of the American Chemical Society","2010","132","","7582","7583","10.1021/ja102323g","","","0.71073","MoKα","","0.0897","0.0522","","","0.1178","0.1362","","","","","","1.016","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102511","21.8574","0.0009","14.4461","0.0006","15.6143","0.0006","90","","90","","90","","4930.3","0.3","153","2","153","2","","","","","","","","8","P n a 21","P 2c -2n","33","[NBu4][ToMZn(Cl)N(SiHMe2)2]","[NBu4]chloro tris(4,4-Me-2-oxazolinyl)phenylborato tetramethyldisilazato zinc","","- C41 H79 B Cl N5 O3 Si2 Zn -","- C41 H79 B Cl N5 O3 Si2 Zn -","- C164 H316 B4 Cl4 N20 O12 Si8 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Conversion of a Zinc Disilazide to a Zinc Hydride Mediated by LiCl","Journal of the American Chemical Society","2010","132","","7582","7583","10.1021/ja102323g","","","0.71073","MoKα","","0.0461","0.033","","","0.0705","0.0754","","","","","","1.028","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102512","9.8932","0.0018","10.985","0.002","15.147","0.003","76.651","0.003","75.037","0.003","81.611","0.003","1540.8","0.5","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H43 B N4 O3 Si2 Zn -","- C25 H43 B N4 O3 Si2 Zn -","- C50 H86 B2 N8 O6 Si4 Zn2 -","2","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Conversion of a Zinc Disilazide to a Zinc Hydride Mediated by LiCl","Journal of the American Chemical Society","2010","132","","7582","7583","10.1021/ja102323g","","","0.71073","MoKα","","0.0928","0.0638","","","0.1439","0.1565","","","","","","1.065","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102513","37.6605","0.0008","12.54627","0.00017","25.9227","0.0005","90","","120.282","0.003","90","","10577.2","0.5","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[(μ-but-2-yn-1,4-diylidyne)bis(di{1,2-bis(diphenylphosphino)ethane} ({4-trimethylsilyl}buta-1,3-diynyl)tungsten)]","","- C122 H114 P8 Si2 W2 -","- C122 H114 P8 Si2 W2 -","- C488 H456 P32 Si8 W8 -","4","0.5","","Sergey N. Semenov; Shiva F. Taghipourian; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","An Iron-Capped Metal-Organic Polyyne: {[Fe](C\τbC)2[W]\τbCC\τbCC\τb[W](C\τbC)2[Fe]}","Journal of the American Chemical Society","2010","132","","7584","7585","10.1021/ja102570f","","","0.71073","MoKα","","0.0394","0.0262","","","0.0518","0.0531","","","","","","0.914","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102514","36.6258","0.0011","13.1143","0.0004","20.2917","0.0005","90","","103.53","0.003","90","","9476.1","0.5","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[(μ-but-2-yn-1,4-diylidyne)bis(di{1,2-bis(diphenylphosphino)ethane} (buta-1,3-diynyl)tungsten)]","","- C116 H98 P8 W2 -","- C116 H98 P8 W2 -","- C464 H392 P32 W8 -","4","0.5","","Sergey N. Semenov; Shiva F. Taghipourian; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","An Iron-Capped Metal-Organic Polyyne: {[Fe](C\τbC)2[W]\τbCC\τbCC\τb[W](C\τbC)2[Fe]}","Journal of the American Chemical Society","2010","132","","7584","7585","10.1021/ja102570f","","","0.71073","MoKα","","0.0896","0.0376","","","0.0446","0.0494","","","","","","0.752","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102515","46.1875","0.0007","19.2094","0.0003","17.58","0.0003","90","","93.679","0.001","90","","15565.4","0.4","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[bis(μ-buta-1,3-diynyl)(μ-but-2-yn-1,4-diylidyne)bis (di{1,2-bis(diphenylphosphino)ethane}tungsten)bis (di{1,2-bis(diethylphosphino)ethane}chloroiron)]","","- C158 H196 Cl6 Fe2 P16 W2 -","- C158.01 H196.02 Cl6.02 Fe2 P16 W2 -","- C632.04 H784.08 Cl24.08 Fe8 P64 W8 -","4","0.5","","Sergey N. Semenov; Shiva F. Taghipourian; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","An Iron-Capped Metal-Organic Polyyne: {[Fe](C\τbC)2[W]\τbCC\τbCC\τb[W](C\τbC)2[Fe]}","Journal of the American Chemical Society","2010","132","","7584","7585","10.1021/ja102570f","","","0.71073","MoKα","","0.0598","0.0379","","","0.0951","0.0997","","","","","","0.968","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102516","5.5909","0.0005","17.6944","0.0017","19.0577","0.0018","90","","90","","90","","1885.3","0.3","173","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18.5 N O3 Pt S -","- C21 H18.5 N O3 Pt S -","- C84 H74 N4 O12 Pt4 S4 -","4","1","","Peter D. Frischmann; Samuel Guieu; Raymond Tabeshi; Mark J. MacLachlan","Columnar Organization of Head-to-Tail Self-Assembled Pt4 Rings","Journal of the American Chemical Society","2010","132","","7668","7675","10.1021/ja910886g","","","0.71073","MoKα","","0.0564","0.0441","","","0.1059","0.1146","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102517","12.5982","0.0008","16.8143","0.0013","18.3347","0.0016","89.132","0.004","84.653","0.004","77.708","0.004","3778.2","0.5","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H33 B Mo N8 O S2 -","- C28 H33 B Mo N8 O S2 -","- C112 H132 B4 Mo4 N32 O4 S8 -","4","2","","Kelly G. Matz; Regina P. Mtei; Belinda Leung; Sharon J. Nieter Burgmayer; Martin L. Kirk","Noninnocent Dithiolene Ligands: A New Oxomolybdenum Complex Possessing a Donor-Acceptor Dithiolene Ligand","Journal of the American Chemical Society","2010","132","","7830","7831","10.1021/ja100220x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102518","28.618","0.011","8.227","0.003","14.935","0.006","90","","113.601","0.008","90","","3222","2","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C160 H176 N16 -","8","1","","Atsuya Muranaka; Mitsuhiro Yonehara; Masanobu Uchiyama","Azulenocyanine: A New Family of Phthalocyanines with Intense Near-IR Absorption","Journal of the American Chemical Society","2010","132","","7844","7845","10.1021/ja101818g","","","0.71073","MoKα","","0.0719","0.0531","","","0.1336","0.1451","","","","","","1.089","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102519","10.0634","0.0002","16.7202","0.0003","15.7994","0.0003","90","","91.718","0.001","90","","2657.24","0.09","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H36 Cl2 Cu N5 O8 -","- C17 H36 Cl2 Cu N5 O8 -","- C68 H144 Cl8 Cu4 N20 O32 -","4","1","","Moushumi Sarma; Apurba Kalita; Pankaj Kumar; Amardeep Singh; Biplab Mondal","Reduction of Copper(II) Complexes of Tripodal Ligands by Nitric Oxide and Trinitrosation of the Ligands","Journal of the American Chemical Society","2010","132","","7846","7847","10.1021/ja102279c","","","0.71073","MoKα","","0.0725","0.0532","","","0.1755","0.187","","","","","","1.089","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102520","11.6744","0.0003","18.4324","0.0004","10.8887","0.0002","90","","90","","90","","2343.11","0.09","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H34 Cl N7 O7 -","- C15 H34 Cl N7 O7 -","- C60 H136 Cl4 N28 O28 -","4","1","","Moushumi Sarma; Apurba Kalita; Pankaj Kumar; Amardeep Singh; Biplab Mondal","Reduction of Copper(II) Complexes of Tripodal Ligands by Nitric Oxide and Trinitrosation of the Ligands","Journal of the American Chemical Society","2010","132","","7846","7847","10.1021/ja102279c","","","0.71073","MoKα","","0.0692","0.0537","","","0.1545","0.1687","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102521","7.30154","0.00013","8.94536","0.00016","12.5868","0.0002","75.579","0.001","88.793","0.001","84.44","0.001","792.45","0.02","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","4-Acetoxy-5,5-dimethylcyclopenta-1,3-diene-1,2,3-tricarboxylic acid trimethyl ester","","- C15 H18 O8 -","- C15 H18 O8 -","- C30 H36 O16 -","2","1","","Yu Shibata; Keiichi Noguchi; Ken Tanaka","Cationic Rhodium(I) Complex-Catalyzed [3 + 2] and [2 + 1] Cycloadditions of Propargyl Esters with Electron-Deficient Alkynes and Alkenes","Journal of the American Chemical Society","2010","132","","7896","7898","10.1021/ja102418h","","","1.54187","CuKα","","0.0369","0.0335","","","0.0913","0.0945","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102522","15.6993","0.0004","6.8584","0.0002","28.0209","0.0008","90","","90","","90","","3017.07","0.15","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-(1-Acetoxy-2-methylpropenyl)-2-dimethylcarbamoylcyclopropanecarboxylic acid methyl ester","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C112 H168 N8 O40 -","8","2","","Yu Shibata; Keiichi Noguchi; Ken Tanaka","Cationic Rhodium(I) Complex-Catalyzed [3 + 2] and [2 + 1] Cycloadditions of Propargyl Esters with Electron-Deficient Alkynes and Alkenes","Journal of the American Chemical Society","2010","132","","7896","7898","10.1021/ja102418h","","","1.54187","CuKα","","0.1776","0.1264","","","0.278","0.32","","","","","","1.006","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102523","13.331","0.004","13.03","0.004","22.476","0.007","90","","105.846","0.003","90","","3756","2","173","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C192 H152 N8 O8 -","8","2","","Itaru Nakamura; Dong Zhang; Masahiro Terada","Copper-Catalyzed Tandem [2,3]-Rearrangement and 6π-3-Azatriene Electrocyclization in (E)-O-Propargylic α,β-Unsaturated Oximes","Journal of the American Chemical Society","2010","132","","7884","7886","10.1021/ja102436z","","","0.7107","MoKα","","","0.0393","","","","0.0857","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102524","6.4942","0.0002","7.334","0.0002","15.1138","0.0004","90","","94.397","0.003","90","","717.73","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C32 H44 O8 -","2","1","","Sara Graus; Rosa M. Tejedor; Santiago Uriel; José Luis Serrano; Ibon Alkorta; José Elguero","Crystallization of an Achiral Cyclohexanone Ethylene Ketal in Enantiomorphs and Determination of the Absolute Structure","Journal of the American Chemical Society","2010","132","","7862","7863","10.1021/ja1025062","","","0.71073","MoKα","","0.065","0.0359","","","0.0631","0.0683","","","","","","0.86","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102525","9.586","0.0006","16.484","0.0007","21.679","0.001","90","","95.596","0.004","90","","3409.3","0.3","110","","110","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H62 N2 P2 Ru -","- C34 H62 N2 P2 Ru -","- C136 H248 N8 P8 Ru4 -","4","1","","Rebeca Reguillo; Mary Grellier; Nicolas Vautravers; Laure Vendier; Sylviane Sabo-Etienne","Ruthenium-Catalyzed Hydrogenation of Nitriles: Insights into the Mechanism","Journal of the American Chemical Society","2010","132","","7854","7855","10.1021/ja102759z","","","0.71073","MoKα","","0.0385","0.0357","","","0.0734","0.0748","","","","","","1.096","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102526","9.7949","0.0005","20.8165","0.0011","19.1507","0.001","90","","91.271","0.002","90","","3903.8","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H66 N2 P2 Ru -","- C44 H66 N2 P2 Ru -","- C176 H264 N8 P8 Ru4 -","4","1","","Rebeca Reguillo; Mary Grellier; Nicolas Vautravers; Laure Vendier; Sylviane Sabo-Etienne","Ruthenium-Catalyzed Hydrogenation of Nitriles: Insights into the Mechanism","Journal of the American Chemical Society","2010","132","","7854","7855","10.1021/ja102759z","","","0.71073","MoKα","","0.0797","0.0608","","","0.1328","0.1392","","","","","","1.155","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102527","13.835","0.0007","16.048","0.0008","15.987","0.0009","90","","107.519","0.003","90","","3384.9","0.3","110","2","110","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C37 H60 N P2 Ru -","- C37 H60 N P2 Ru -","- C148 H240 N4 P8 Ru4 -","4","2","","Rebeca Reguillo; Mary Grellier; Nicolas Vautravers; Laure Vendier; Sylviane Sabo-Etienne","Ruthenium-Catalyzed Hydrogenation of Nitriles: Insights into the Mechanism","Journal of the American Chemical Society","2010","132","","7854","7855","10.1021/ja102759z","","","0.71073","MoKα","","0.054","0.0429","","","0.094","0.1","","","","","","1.055","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102528","25.163","0.0019","48.087","0.003","34.425","0.002","90","","106.451","0.004","90","","39949","5","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C177 H159 Cl15 N34 O44 -","- C177 H159 Cl15 N34 O44.5 -","- C1416 H1272 Cl120 N272 O356 -","8","2","","Yann Ferrand; Amol M. Kendhale; Brice Kauffmann; Axelle Grélard; Cécile Marie; Virginie Blot; Muriel Pipelier; Didier Dubreuil; Ivan Huc","Diastereoselective Encapsulation of Tartaric Acid by a Helical Aromatic Oligoamide","Journal of the American Chemical Society","2010","132","","7858","7859","10.1021/ja102794a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102529","16.0418","0.0015","5.51815","0.00062","7.86214","0.00077","90","","93.9617","0.0095","90","","694.3","0.12","298","2","298","2","","","","","","","synthesis","3","P 1 21/c 1","-P 2ybc","14","","4,4'-bis(1H-pyrazol-4-yl)biphenyl","","- C18 H14 N4 -","- C18 H14 N4 -","- C36 H28 N8 -","2","0.5","","Norberto Masciocchi; Simona Galli; Valentina Colombo; Angelo Maspero; Giovanni Palmisano; Behnam Seyyedi; Carlo Lamberti; Silvia Bordiga","Cubic Octanuclear Ni(II) Clusters in Highly Porous Polypyrazolyl-Based Materials","Journal of the American Chemical Society","2010","132","","7902","7904","10.1021/ja102862j","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102530","5.25025","0.0004","5.36079","0.00033","24.3757","0.0016","90","","90.4795","0.0035","90","","686.04","0.08","298","2","298","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","2,6-bis(1H-pyrazol-4-yl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H, 6H)-tetrone","","- C16 H8 N6 O4 -","- C16 H8 N6 O4 -","- C32 H16 N12 O8 -","2","0.5","","Norberto Masciocchi; Simona Galli; Valentina Colombo; Angelo Maspero; Giovanni Palmisano; Behnam Seyyedi; Carlo Lamberti; Silvia Bordiga","Cubic Octanuclear Ni(II) Clusters in Highly Porous Polypyrazolyl-Based Materials","Journal of the American Chemical Society","2010","132","","7902","7904","10.1021/ja102862j","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102531","31.3584","0.003","31.3584","0.003","31.3584","0.003","90","","90","","90","","30836","5","298","2","298","2","","","","","","","synthesis","5","F m -3 m","-F 4 2 3","225","","","","- C108 H80 N24 Ni8 O6 -","- C108 H78 N24 Ni8 O6 -","- C432 H312 N96 Ni32 O24 -","4","0.0208333","","Norberto Masciocchi; Simona Galli; Valentina Colombo; Angelo Maspero; Giovanni Palmisano; Behnam Seyyedi; Carlo Lamberti; Silvia Bordiga","Cubic Octanuclear Ni(II) Clusters in Highly Porous Polypyrazolyl-Based Materials","Journal of the American Chemical Society","2010","132","","7902","7904","10.1021/ja102862j","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102532","30.5846","0.0022","30.5846","0.0022","30.5846","0.0022","90","","90","","90","","28609","4","298","2","298","2","","","","","","","synthesis","5","F m -3 m","-F 4 2 3","225","","","","- C96 H56 N36 Ni8 O36 -","- C96 H54 N36 Ni8 O36 -","- C384 H216 N144 Ni32 O144 -","4","0.0208333","","Norberto Masciocchi; Simona Galli; Valentina Colombo; Angelo Maspero; Giovanni Palmisano; Behnam Seyyedi; Carlo Lamberti; Silvia Bordiga","Cubic Octanuclear Ni(II) Clusters in Highly Porous Polypyrazolyl-Based Materials","Journal of the American Chemical Society","2010","132","","7902","7904","10.1021/ja102862j","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102533","6.31493","0.00075","3.6201","0.0012","18.4226","0.0027","94.855","0.028","109.926","0.0093","89.246","0.032","394.46","0.15","298","2","298","2","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C16 H8 Cl2 N6 Ni O4 -","- C16 H8 Cl2 N6 Ni O4 -","- C16 H8 Cl2 N6 Ni O4 -","1","0.5","","Norberto Masciocchi; Simona Galli; Valentina Colombo; Angelo Maspero; Giovanni Palmisano; Behnam Seyyedi; Carlo Lamberti; Silvia Bordiga","Cubic Octanuclear Ni(II) Clusters in Highly Porous Polypyrazolyl-Based Materials","Journal of the American Chemical Society","2010","132","","7902","7904","10.1021/ja102862j","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102534","9.6908","0.0019","9.49","0.0019","16.734","0.003","90","","91.27","0.03","90","","1538.6","0.5","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H28 O3 -","- C17 H28 O3 -","- C68 H112 O12 -","4","1","","K. C. Nicolaou; Qiang Kang; Sin Yee Ng; David Y.-K. Chen","Total Synthesis of Englerin A","Journal of the American Chemical Society","2010","132","","8219","8222","10.1021/ja102927n","","","0.71073","MoKα","","0.0778","0.0662","","","0.1571","0.1692","","","","","","1.147","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102535","16.9004","0.0018","20.028","0.002","30.412","0.003","108.507","0.001","91.274","0.001","90.732","0.001","9757","1.7","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C136 H166 N39 O76 Pd6 -","- C136 H166 N38.915 O76.166 Pd6 -","- C272 H332 N77.83 O152.332 Pd12 -","2","1","","Takashi Murase; Kosuke Otsuka; Makoto Fujita","Pairwise Selective Formation of Aromatic Stacks in a Coordination Cage","Journal of the American Chemical Society","2010","132","","7864","7865","10.1021/ja103109z","","","0.71073","MoKα","","0.1035","0.077","","","0.2199","0.252","","","","","","1.03","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102536","16.5029","0.0004","20.8999","0.0005","30.0805","0.0007","90","","90","","90","","10375","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44.61 H68.61 Cl1.83 N4 O7 -","- C44.61 H68.61 Cl1.83 N4 O7 -","- C356.88 H548.88 Cl14.64 N32 O56 -","8","2","","Li Guo; Aaron M. Almeida; Weicheng Zhang; Andrew G. Reidenbach; Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman","Helix Formation in Preorganized β/γ-Peptide Foldamers: Hydrogen-Bond Analogy to the α-Helix without α-Amino Acid Residues","Journal of the American Chemical Society","2010","132","","7868","7869","10.1021/ja103233a","","","1.54178","Cu-Kα","","0.063","0.0511","","","0.1353","0.1436","","","","","","0.978","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102537","10.9331","0.0002","18.5573","0.0003","24.7143","0.0004","90","","90","","90","","5014.26","0.15","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H76 Br N5 O8 -","- C50 H76 Br N5 O8 -","- C200 H304 Br4 N20 O32 -","4","1","","Li Guo; Aaron M. Almeida; Weicheng Zhang; Andrew G. Reidenbach; Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman","Helix Formation in Preorganized β/γ-Peptide Foldamers: Hydrogen-Bond Analogy to the α-Helix without α-Amino Acid Residues","Journal of the American Chemical Society","2010","132","","7868","7869","10.1021/ja103233a","","","1.54178","CuKα","","0.0915","0.0576","","","0.1434","0.1695","","","","","","0.951","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102538","17.741","0.002","26.137","0.003","13.6513","0.0017","90","","89.915","0.003","90","","6330.1","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76 H84 Ga2 N4 -","- C76 H84 Ga2 N4 -","- C304 H336 Ga8 N16 -","4","1","","Igor L. Fedushkin; Alexander S. Nikipelov; Konstantin A. Lyssenko","Reversible Addition of Alkynes to Gallium Complex of Chelating Diamide Ligand","Journal of the American Chemical Society","2010","132","","7874","7875","10.1021/ja103467a","","","0.71073","MoKα","","0.0898","0.0465","","","0.0908","0.1059","","","","","","1.006","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102539","17.3786","0.0019","26.579","0.003","17.903","0.002","90","","108.121","0.002","90","","7859.3","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C92.3 H102.75 Ga2 N4 O2.15 -","- C92.3 H102.75 Ga2 N4 O2.15 -","- C369.2 H411 Ga8 N16 O8.6 -","4","1","","Igor L. Fedushkin; Alexander S. Nikipelov; Konstantin A. Lyssenko","Reversible Addition of Alkynes to Gallium Complex of Chelating Diamide Ligand","Journal of the American Chemical Society","2010","132","","7874","7875","10.1021/ja103467a","","","0.71073","MoKα","","0.0593","0.0388","","","0.089","0.0987","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102540","29.176","0.004","12.985","0.002","39.497","0.006","90","","100.678","0.003","90","","14704","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H98 Ga2 N4 O4 -","- C88 H98 Ga2 N4 O4 -","- C704 H784 Ga16 N32 O32 -","8","1","","Igor L. Fedushkin; Alexander S. Nikipelov; Konstantin A. Lyssenko","Reversible Addition of Alkynes to Gallium Complex of Chelating Diamide Ligand","Journal of the American Chemical Society","2010","132","","7874","7875","10.1021/ja103467a","","","0.71073","MoKα","","0.1475","0.0616","","","0.1061","0.1355","","","","","","0.956","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102541","15.546","0.006","15.791","0.006","21.274","0.008","70.086","0.007","76.781","0.008","61.731","0.006","4310","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H114 Ga2 N4 O4 -","- C102 H114 Ga2 N4 O4 -","- C204 H228 Ga4 N8 O8 -","2","1","","Igor L. Fedushkin; Alexander S. Nikipelov; Konstantin A. Lyssenko","Reversible Addition of Alkynes to Gallium Complex of Chelating Diamide Ligand","Journal of the American Chemical Society","2010","132","","7874","7875","10.1021/ja103467a","","","0.71073","MoKα","","0.2192","0.0883","","","0.1518","0.2026","","","","","","0.993","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102542","7.473","0.003","12.669","0.005","14.171","0.005","90","","100.228","0.016","90","","1320.3","0.9","123.1","","123.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H20 Cl2 F8 Ir2 -","- C28 H20 Cl2 F8 Ir2 -","- C56 H40 Cl4 F16 Ir4 -","2","1","","Takahiro Nishimura; Yuichi Yasuhara; Takahiro Sawano; Tamio Hayashi","Iridium/Chiral Diene-Catalyzed Asymmetric 1,6-Addition of Arylboroxines to α,β,γ,δ-Unsaturated Carbonyl Compounds","Journal of the American Chemical Society","2010","132","","7872","7873","10.1021/ja1034842","","","0.71075","MoKα","","","0.0236","","","","0.0507","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102543","14.37","0.0008","16.818","0.001","18.917","0.0011","90","","90","","90","","4571.8","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","JK_011","","","- C21 H36 Cl2 Ir N2 P -","- C21 H36 Cl2 Ir N2 P -","- C168 H288 Cl16 Ir8 N16 P8 -","8","1","","Douglas B. Grotjahn; John E. Kraus; Hani Amouri; Marie-Noelle Rager; Andrew L. Cooksy; Amy J. Arita; Sara A. Cortes-Llamas; Arthur A. Mallari; Antonio G. DiPasquale; Curtis E. Moore; Louise M. Liable-Sands; James D. Golen; Lev N. Zakharov; Arnold L. Rheingold","Multimodal Study of Secondary Interactions in Cp*Ir Complexes of Imidazolylphosphines Bearing an NH Group","Journal of the American Chemical Society","2010","132","","7919","7934","10.1021/ja906712g","","","0.71073","MoKα","","0.0216","0.0194","","","0.0466","0.0478","","","","","","1.038","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102544","14.682","0.0012","9.297","0.0007","31.39","0.003","90","","94.991","0.001","90","","4268.4","0.6","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","JK_009","","","- C19 H32 Cl2 Ir N2 P -","- C19 H32 Cl2 Ir N2 P -","- C152 H256 Cl16 Ir8 N16 P8 -","8","1","","Douglas B. Grotjahn; John E. Kraus; Hani Amouri; Marie-Noelle Rager; Andrew L. Cooksy; Amy J. Arita; Sara A. Cortes-Llamas; Arthur A. Mallari; Antonio G. DiPasquale; Curtis E. Moore; Louise M. Liable-Sands; James D. Golen; Lev N. Zakharov; Arnold L. Rheingold","Multimodal Study of Secondary Interactions in Cp*Ir Complexes of Imidazolylphosphines Bearing an NH Group","Journal of the American Chemical Society","2010","132","","7919","7934","10.1021/ja906712g","","","0.71069","MoKα","","0.0229","0.0206","","","0.0474","0.0483","","","","","","1.05","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102545","8.508","0.0009","16.9056","0.0017","19.041","0.002","90","","96.289","0.002","90","","2722.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Cl4 Ir N2 P -","- C26 H30 Cl4 Ir N2 P -","- C104 H120 Cl16 Ir4 N8 P4 -","4","1","","Douglas B. Grotjahn; John E. Kraus; Hani Amouri; Marie-Noelle Rager; Andrew L. Cooksy; Amy J. Arita; Sara A. Cortes-Llamas; Arthur A. Mallari; Antonio G. DiPasquale; Curtis E. Moore; Louise M. Liable-Sands; James D. Golen; Lev N. Zakharov; Arnold L. Rheingold","Multimodal Study of Secondary Interactions in Cp*Ir Complexes of Imidazolylphosphines Bearing an NH Group","Journal of the American Chemical Society","2010","132","","7919","7934","10.1021/ja906712g","","","0.71073","MoKα","","0.0257","0.0221","","","0.0515","0.054","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102546","19.69","0.003","8.3304","0.0012","17.34","0.003","90","","99.315","0.002","90","","2806.7","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 Cl2 Ir N2 P -","- C25 H44 Cl2 Ir N2 P -","- C100 H176 Cl8 Ir4 N8 P4 -","4","1","","Douglas B. Grotjahn; John E. Kraus; Hani Amouri; Marie-Noelle Rager; Andrew L. Cooksy; Amy J. Arita; Sara A. Cortes-Llamas; Arthur A. Mallari; Antonio G. DiPasquale; Curtis E. Moore; Louise M. Liable-Sands; James D. Golen; Lev N. Zakharov; Arnold L. Rheingold","Multimodal Study of Secondary Interactions in Cp*Ir Complexes of Imidazolylphosphines Bearing an NH Group","Journal of the American Chemical Society","2010","132","","7919","7934","10.1021/ja906712g","","","0.71073","MoKα","","0.0681","0.0377","","","0.0694","0.0756","","","","","","1.05","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102547","8.0066","0.0013","26.544","0.005","10.5213","0.0018","90","","110.995","0.002","90","","2087.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 Cl Ir N2 P -","- C19 H33 Cl Ir N2 P -","- C76 H132 Cl4 Ir4 N8 P4 -","4","1","","Douglas B. Grotjahn; John E. Kraus; Hani Amouri; Marie-Noelle Rager; Andrew L. Cooksy; Amy J. Arita; Sara A. Cortes-Llamas; Arthur A. Mallari; Antonio G. DiPasquale; Curtis E. Moore; Louise M. Liable-Sands; James D. Golen; Lev N. Zakharov; Arnold L. Rheingold","Multimodal Study of Secondary Interactions in Cp*Ir Complexes of Imidazolylphosphines Bearing an NH Group","Journal of the American Chemical Society","2010","132","","7919","7934","10.1021/ja906712g","","","0.71073","MoKα","","0.0333","0.0312","","","0.0883","0.0904","","","","","","1.132","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102548","8.784","0.0007","16.0209","0.0013","9.8555","0.0008","90","","103.218","0.001","90","","1350.2","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H45 Cl Ir N2 P -","- C25 H45 Cl1.01 Ir N2 P -","- C50 H90 Cl2.02 Ir2 N4 P2 -","2","1","","Douglas B. Grotjahn; John E. Kraus; Hani Amouri; Marie-Noelle Rager; Andrew L. Cooksy; Amy J. Arita; Sara A. Cortes-Llamas; Arthur A. Mallari; Antonio G. DiPasquale; Curtis E. Moore; Louise M. Liable-Sands; James D. Golen; Lev N. Zakharov; Arnold L. Rheingold","Multimodal Study of Secondary Interactions in Cp*Ir Complexes of Imidazolylphosphines Bearing an NH Group","Journal of the American Chemical Society","2010","132","","7919","7934","10.1021/ja906712g","","","0.71073","MoKα","","0.0259","0.0241","","","0.0479","0.0484","","","","","","1.072","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102549","15.407","0.0016","12.52","0.0013","23.931","0.002","90","","104.693","0.002","90","","4465.2","0.8","208","2","208","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","JK_00K","","","- C43 H32 B Cl F20 Ir N2 P -","- C43 H32 B Cl F20 Ir N2 P -","- C172 H128 B4 Cl4 F80 Ir4 N8 P4 -","4","1","","Douglas B. Grotjahn; John E. Kraus; Hani Amouri; Marie-Noelle Rager; Andrew L. Cooksy; Amy J. Arita; Sara A. Cortes-Llamas; Arthur A. Mallari; Antonio G. DiPasquale; Curtis E. Moore; Louise M. Liable-Sands; James D. Golen; Lev N. Zakharov; Arnold L. Rheingold","Multimodal Study of Secondary Interactions in Cp*Ir Complexes of Imidazolylphosphines Bearing an NH Group","Journal of the American Chemical Society","2010","132","","7919","7934","10.1021/ja906712g","","","0.71073","MoKα","","0.0389","0.0309","","","0.0761","0.0794","","","","","","1.056","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102550","7.8947","0.0002","29.6787","0.0007","8.5746","0.0002","90","","105.441","0.001","90","","1936.55","0.08","210","2","210","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 Cl O P Pd -","- C16 H34 Cl O P Pd -","- C64 H136 Cl4 O4 P4 Pd4 -","4","1","","Delphine Gauthier; Anders T. Lindhardt; Esben P. K. Olsen; Jacob Overgaard; Troels Skrydstrup","In Situ Generated Bulky Palladium Hydride Complexes as Catalysts for the Efficient Isomerization of Olefins. Selective Transformation of Terminal Alkenes to 2-Alkenes","Journal of the American Chemical Society","2010","132","","7998","8009","10.1021/ja9108424","","x-ray","0.71073","MoKα","","0.0455","0.0308","","","0.0704","0.076","","","","","","1.026","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102551","17.7592","0.0003","19.4726","0.0002","18.2732","0.0002","90","","90","","90","","6319.2","0.14","160","1","160","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H21 B11 Cl6 F4 Si -","- C21 H21 B11 Cl6 F4 Si -","- C168 H168 B88 Cl48 F32 Si8 -","8","1","","Paola Romanato; Simon Duttwyler; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Intramolecular Halogen Stabilization of Silylium Ions Directs Gearing Dynamics","Journal of the American Chemical Society","2010","132","","7828","7829","10.1021/ja9109665","","","0.71073","MoKα","","0.0545","0.0357","","","0.0812","0.0913","","","","","","1.038","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102552","15.9428","0.0004","17.3376","0.0003","19.1253","0.0003","76.719","0.0013","76.937","0.0011","79.5644","0.0012","4965.13","0.17","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C102 H62.71 B2 F48 O2 Si2 -","- C99 H55.71 B2 F48 O2 Si2 -","- C198 H111.42 B4 F96 O4 Si4 -","2","1","","Paola Romanato; Simon Duttwyler; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Intramolecular Halogen Stabilization of Silylium Ions Directs Gearing Dynamics","Journal of the American Chemical Society","2010","132","","7828","7829","10.1021/ja9109665","","","0.71073","MoKα","","0.0646","0.0441","","","0.1137","0.1235","","","","","","1.046","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102553","11.3614","0.0003","14.0989","0.0003","29.8844","0.0006","92.823","0.001","95.642","0.002","107.824","0.002","4519.2","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H137 Cl Mo N10 O2 -","- C92 H137 Cl Mo N10 O2 -","- C184 H274 Cl2 Mo2 N20 O4 -","2","1","","Michael R. Reithofer; Richard R. Schrock; Peter Müller","Synthesis of [(DPPNCH2CH2)3N]3- Molybdenum Complexes (DPP = 3,5-(2,5-Diisopropylpyrrolyl)2C6H3) and Studies Relevant to Catalytic Reduction of Dinitrogen","Journal of the American Chemical Society","2010","132","","8349","8358","10.1021/ja1008213","","","1.54178","CuKα","","0.0507","0.0454","","","0.1088","0.1114","","","","","","1.183","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102554","12.746","0.0002","18.0416","0.0003","27.6442","0.0004","92.626","0.001","100.951","0.001","106.505","0.001","5950.36","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C130 H183 Mo N13 -","- C130 H183 Mo N13 -","- C260 H366 Mo2 N26 -","2","1","","Michael R. Reithofer; Richard R. Schrock; Peter Müller","Synthesis of [(DPPNCH2CH2)3N]3- Molybdenum Complexes (DPP = 3,5-(2,5-Diisopropylpyrrolyl)2C6H3) and Studies Relevant to Catalytic Reduction of Dinitrogen","Journal of the American Chemical Society","2010","132","","8349","8358","10.1021/ja1008213","","","1.54178","CuKα","","0.0545","0.0497","","","0.1317","0.1358","","","","","","1.075","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102555","30.239","0.004","23.407","0.003","27.664","0.003","90","","116.633","0.002","90","","17503","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C93 H126 Mo N11 -","- C93 H126 Mo N11 -","- C744 H1008 Mo8 N88 -","8","2","","Michael R. Reithofer; Richard R. Schrock; Peter Müller","Synthesis of [(DPPNCH2CH2)3N]3- Molybdenum Complexes (DPP = 3,5-(2,5-Diisopropylpyrrolyl)2C6H3) and Studies Relevant to Catalytic Reduction of Dinitrogen","Journal of the American Chemical Society","2010","132","","8349","8358","10.1021/ja1008213","","","0.71073","MoKα","","0.103","0.053","","","0.1193","0.1497","","","","","","1.025","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102556","14.9816","0.0003","20.9091","0.0004","43.6033","0.0009","89.795","0.001","89.692","0.001","70.328","0.001","12861.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H148 B F24 Mo N11 -","- C134 H148 B F24 Mo N11 -","- C536 H592 B4 F96 Mo4 N44 -","4","2","","Michael R. Reithofer; Richard R. Schrock; Peter Müller","Synthesis of [(DPPNCH2CH2)3N]3- Molybdenum Complexes (DPP = 3,5-(2,5-Diisopropylpyrrolyl)2C6H3) and Studies Relevant to Catalytic Reduction of Dinitrogen","Journal of the American Chemical Society","2010","132","","8349","8358","10.1021/ja1008213","","","1.54178","CuKα","","0.055","0.0486","","","0.1215","0.1258","","","","","","1.049","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102557","14.5735","0.0003","30.3139","0.0006","31.0683","0.0006","90","","102.451","0.001","90","","13402.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C134.5 H167 B F24 Mo N12 -","- C134.5 H167 B F24 Mo N12 -","- C538 H668 B4 F96 Mo4 N48 -","4","1","","Michael R. Reithofer; Richard R. Schrock; Peter Müller","Synthesis of [(DPPNCH2CH2)3N]3- Molybdenum Complexes (DPP = 3,5-(2,5-Diisopropylpyrrolyl)2C6H3) and Studies Relevant to Catalytic Reduction of Dinitrogen","Journal of the American Chemical Society","2010","132","","8349","8358","10.1021/ja1008213","","","1.54178","CuKα","","0.0792","0.0568","","","0.1405","0.1563","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102558","12.8824","0.0012","7.9467","0.0007","16.7333","0.0016","90","","107.709","0.001","90","","1631.9","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Br O2 -","- C18 H19 Br O2 -","- C72 H76 Br4 O8 -","4","1","","Dipannita Kalyani; Andrew D. Satterfield; Melanie S. Sanford","Palladium-Catalyzed Oxidative Arylhalogenation of Alkenes: Synthetic Scope and Mechanistic Insights","Journal of the American Chemical Society","2010","132","","8419","8427","10.1021/ja101851v","","","0.71073","MoKα","","0.0405","0.03","","","0.0726","0.0784","","","","","","1.011","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102559","10.422","0.0007","14.4036","0.0009","16.715","0.001","102.594","0.001","99.673","0.001","103.003","0.001","2323","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H25 Cl O2 -","- C29 H25 Cl O2 -","- C116 H100 Cl4 O8 -","4","2","","Dipannita Kalyani; Andrew D. Satterfield; Melanie S. Sanford","Palladium-Catalyzed Oxidative Arylhalogenation of Alkenes: Synthetic Scope and Mechanistic Insights","Journal of the American Chemical Society","2010","132","","8419","8427","10.1021/ja101851v","","","0.71073","MoKα","","0.0657","0.0417","","","0.1013","0.1141","","","","","","1.01","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102560","11.893","0.0014","25.281","0.004","8.5184","0.0008","90","","109.522","0.006","90","","2414","0.5","85","2","85","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 Cl O4 -","- C28 H29 Cl O4 -","- C112 H116 Cl4 O16 -","4","1","","Dipannita Kalyani; Andrew D. Satterfield; Melanie S. Sanford","Palladium-Catalyzed Oxidative Arylhalogenation of Alkenes: Synthetic Scope and Mechanistic Insights","Journal of the American Chemical Society","2010","132","","8419","8427","10.1021/ja101851v","","","0.71073","MoKα","","0.0392","0.0359","","","0.0932","0.0956","","","","","","1.083","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102561","40.194","0.002","7.0805","0.0004","26.8602","0.0014","90","","130.586","0.004","90","","5805.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H29 N3 O3 S2 -","- C36 H29 N3 O3 S2 -","- C288 H232 N24 O24 S16 -","8","1","","Rocío Ponce Ortiz; Helena Herrera; Raúl Blanco; Hui Huang; Antonio Facchetti; Tobin J. Marks; Yan Zheng; José L. Segura","Organic n-Channel Field-Effect Transistors Based on Arylenediimide-Thiophene Derivatives","Journal of the American Chemical Society","2010","132","","8440","8452","10.1021/ja1018783","","","1.54178","CuKα","","0.0924","0.054","","","0.1238","0.142","","","","","","1.027","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102562","8.9014","0.0002","11.7597","0.0002","17.7704","0.0004","90","","90","","90","","1860.17","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C84 H88 N8 O12 S4 -","4","1","","Barry M. Trost; Steven M. Silverman","Enantioselective Construction of Highly Substituted Pyrrolidines by Palladium-Catalyzed Asymmetric [3+2] Cycloaddition of Trimethylenemethane with Ketimines","Journal of the American Chemical Society","2010","132","","8238","8240","10.1021/ja102102d","","","1.54178","CuKα","","0.0259","0.0252","","","0.0662","0.0666","","","","","","1.045","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102563","9.2738","0.0002","9.2738","0.0002","10.7801","0.0004","90","","90","","120","","802.91","0.04","290","","290","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ca3 Li O6 Os -","- Ca3 Li O6 Os -","- Ca18 Li6 O36 Os6 -","6","0.166667","","Youguo Shi; Yanfeng Guo; Shan Yu; Masao Arai; Akira Sato; Alexei A. Belik; Kazunari Yamaura; Eiji Takayama-Muromachi","Crystal Growth and Structure and Magnetic Properties of the 5d Oxide Ca3LiOsO6: Extended Superexchange Magnetic Interaction in Oxide","Journal of the American Chemical Society","2010","132","","8474","8483","10.1021/ja102606q","","","0.71073","MoKα","","0.0224","0.0218","","","0.0584","0.059","","","","","","1.218","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102564","8.1985","0.0016","15.429","0.003","17.096","0.003","90","","90","","90","","2162.6","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O4 S -","- C22 H26 N2 O4 S -","- C88 H104 N8 O16 S4 -","4","1","","Porino Va; Erica L. Campbell; William M. Robertson; Dale L. Boger","Total Synthesis and Evaluation of a Key Series of C5-Substituted Vinblastine Derivatives","Journal of the American Chemical Society","2010","132","","8489","8495","10.1021/ja1027748","","","0.71073","MoKα","","0.0584","0.0556","","","0.1408","0.1431","","","","","","1.157","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102565","10.341","0.002","10.798","0.002","18.045","0.004","90","","90","","90","","2014.9","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N2 O5 -","- C23 H24 N2 O5 -","- C92 H96 N8 O20 -","4","1","","Porino Va; Erica L. Campbell; William M. Robertson; Dale L. Boger","Total Synthesis and Evaluation of a Key Series of C5-Substituted Vinblastine Derivatives","Journal of the American Chemical Society","2010","132","","8489","8495","10.1021/ja1027748","","","0.71073","MoKα","","0.1213","0.0844","","","0.1399","0.1543","","","","","","1.1","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102566","10.547","0.002","12.693","0.003","17.13","0.003","90","","90","","90","","2293.2","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O4 S -","- C24 H30 N2 O4 S -","- C96 H120 N8 O16 S4 -","4","1","","Porino Va; Erica L. Campbell; William M. Robertson; Dale L. Boger","Total Synthesis and Evaluation of a Key Series of C5-Substituted Vinblastine Derivatives","Journal of the American Chemical Society","2010","132","","8489","8495","10.1021/ja1027748","","","0.71073","MoKα","","0.0524","0.0446","","","0.0972","0.1012","","","","","","1.036","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102567","11.401","0.006","28.72","0.01","6.709","0.003","90","","113.897","0.002","90","","2008.5","1.6","270","2","270","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C38 H32 Co Fe2 N14 O4 -","- C38 H20 Co Fe2 N14 O4 -","- C76 H40 Co2 Fe4 N28 O8 -","2","0.25","","Tao Liu; Yan-Juan Zhang; Shinji Kanegawa; Osamu Sato","Photoinduced Metal-to-Metal Charge Transfer toward Single-Chain Magnet","Journal of the American Chemical Society","2010","132","","8250","8251","10.1021/ja1027953","","","0.71073","MoKα","","0.0355","0.028","","","0.079","0.0825","","","","","","1.046","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102568","11.134","0.002","28.383","0.006","6.6499","0.0013","90","","113.7","0.03","90","","1924.2","0.8","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C38 H32 Co Fe2 N14 O4 -","- C38 H20 Co Fe2 N14 O4 -","- C76 H40 Co2 Fe4 N28 O8 -","2","0.25","","Tao Liu; Yan-Juan Zhang; Shinji Kanegawa; Osamu Sato","Photoinduced Metal-to-Metal Charge Transfer toward Single-Chain Magnet","Journal of the American Chemical Society","2010","132","","8250","8251","10.1021/ja1027953","","","0.71073","MoKα","","0.0776","0.0687","","","0.1398","0.1452","","","","","","1.078","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102569","11.059","0.002","28.269","0.006","6.625","0.001","90","","113.79","0.03","90","","1895.2","0.7","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C38 H32 Co Fe2 N14 O4 -","- C38 H20 Co Fe2 N14 O4 -","- C76 H40 Co2 Fe4 N28 O8 -","2","0.25","","Tao Liu; Yan-Juan Zhang; Shinji Kanegawa; Osamu Sato","Photoinduced Metal-to-Metal Charge Transfer toward Single-Chain Magnet","Journal of the American Chemical Society","2010","132","","8250","8251","10.1021/ja1027953","","","0.71073","MoKα","","0.0714","0.0594","","","0.1307","0.1369","","","","","","1.179","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102570","19.844","0.0002","18.8816","0.0001","30.8966","0.0003","90","","90","","90","","11576.5","0.17","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H108 B2 Li2 O2 -","- C64 H108 B2 Li2 O2 -","- C512 H864 B16 Li16 O16 -","8","1","","Yoshiaki Shoji; Tsukasa Matsuo; Daisuke Hashizume; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","A Stable Doubly Hydrogen-Bridged Butterfly-Shaped Diborane(4) Compound","Journal of the American Chemical Society","2010","132","","8258","8260","10.1021/ja102913g","","","0.8","synchrotron","","0.1046","0.0527","","","0.1302","0.1562","","","","","","0.911","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102571","21.6307","0.0004","10.3196","0.0002","22.3696","0.0004","90","","91.727","0.0009","90","","4991.08","0.16","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C56 H92 B2 -","- C56 H92 B2 -","- C224 H368 B8 -","4","0.5","","Yoshiaki Shoji; Tsukasa Matsuo; Daisuke Hashizume; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","A Stable Doubly Hydrogen-Bridged Butterfly-Shaped Diborane(4) Compound","Journal of the American Chemical Society","2010","132","","8258","8260","10.1021/ja102913g","","","0.71073","MoKα","","0.0713","0.0416","","","0.1223","0.1357","","","","","","1.022","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102572","9.574","0.005","10.277","0.005","12.803","0.007","90","","102.881","0.007","90","","1228","1.1","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H32 O7 -","- C27 H32 O7 -","- C54 H64 O14 -","2","1","","Ashok K. Basak; Naoyuki Shimada; William F. Bow; David A. Vicic; Marcus A. Tius","An Organocatalytic Asymmetric Nazarov Cyclization","Journal of the American Chemical Society","2010","132","","8266","8267","10.1021/ja103028r","","","0.71075","MoKα","","0.1157","0.0588","","","0.1033","0.1258","","","","","","1.006","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102573","13.841","0.003","11.389","0.003","18.565","0.004","90","","94.159","0.003","90","","2918.8","1.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 N2 O6 S -","- C34 H32 N2 O6 S -","- C136 H128 N8 O24 S4 -","4","1","","John D. Trzupek; Dongjoo Lee; Brendan M. Crowley; Vasilios M. Marathias; Samuel J. Danishefsky","Total Synthesis of Enantiopure Phalarine via a Stereospecific Pictet-Spengler Reaction: Traceless Transfer of Chirality from l-Tryptophan","Journal of the American Chemical Society","2010","132","","8506","8512","10.1021/ja1030968","","","0.71073","MoKα","","0.0793","0.0434","","","0.1088","0.1321","","","","","","1.022","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102574","10.0705","0.0007","7.586","0.0006","11.9468","0.0009","90","","114.183","0.003","90","","832.58","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","TM-148","toste14","","- C17 H24 O6 -","- C17 H24 O6 -","- C34 H48 O12 -","2","1","","Steven G. Sethofer; Timo Mayer; F. Dean Toste","Gold(I)-Catalyzed Enantioselective Polycyclization Reactions","Journal of the American Chemical Society","2010","132","","8276","8277","10.1021/ja103544p","","","1.54178","CuKα","","0.026","0.0253","","","0.0666","0.0672","","","","","","1.064","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4102575","22.632","0.003","38.947","0.005","13.0122","0.0016","90","","90","","90","","11470","3","143","2","143","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","SGS5-4","toste09","","- C70 H96 Au2 Cl2 O2 P2 -","- C70 H96 Au2 Cl2 O2 P2 -","- C420 H576 Au12 Cl12 O12 P12 -","6","1.5","","Steven G. Sethofer; Timo Mayer; F. Dean Toste","Gold(I)-Catalyzed Enantioselective Polycyclization Reactions","Journal of the American Chemical Society","2010","132","","8276","8277","10.1021/ja103544p","","","0.71073","MoKα","","0.0415","0.0326","","","0.0827","0.0869","","","","","","1.05","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102576","8.7941","0.0006","10.3348","0.0007","12.3385","0.0009","88.425","0.002","70.796","0.002","70.657","0.002","995.02","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","SGS5-83","toste17","","- C22 H28 O6 -","- C22 H28 O6 -","- C44 H56 O12 -","2","1","","Steven G. Sethofer; Timo Mayer; F. Dean Toste","Gold(I)-Catalyzed Enantioselective Polycyclization Reactions","Journal of the American Chemical Society","2010","132","","8276","8277","10.1021/ja103544p","","","1.54178","CuKα","","0.0359","0.0345","","","0.0873","0.0886","","","","","","1.026","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102577","9.6322","0.0006","9.7408","0.0006","14.0139","0.0009","90","","91.456","0.002","90","","1314.43","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","SGS5_151","toste18","","- C29 H40 O6 -","- C29 H40 O6 -","- C58 H80 O12 -","2","1","","Steven G. Sethofer; Timo Mayer; F. Dean Toste","Gold(I)-Catalyzed Enantioselective Polycyclization Reactions","Journal of the American Chemical Society","2010","132","","8276","8277","10.1021/ja103544p","","","1.54178","CuKα","","0.0298","0.0296","","","0.083","0.0832","","","","","","1.094","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102578","19.107","0.002","22.61","0.003","28.544","0.006","98.529","0.011","96.193","0.012","114.274","0.008","10920","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C196 H216 Au38 S24 -","- C180 H184 Au38 S24 -","- C360 H368 Au76 S48 -","2","1","","Huifeng Qian; William T. Eckenhoff; Yan Zhu; Tomislav Pintauer; Rongchao Jin","Total Structure Determination of Thiolate-Protected Au38 Nanoparticles","Journal of the American Chemical Society","2010","132","","8280","8281","10.1021/ja103592z","","","0.71073","MoKα","","0.2424","0.0754","","","0.1385","0.2078","","","","","","0.964","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102579","17.844","0.005","12.072","0.004","21.601","0.006","90","","103.645","0.004","90","","4522","2","123","2","123","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","09092a","","","- C26 H18 Cl6 D36 F6 Fe N10 O7 S2 -","- C26 H18 Cl6 D36 F6 Fe N10 O7 S2 -","- C104 H72 Cl24 D144 F24 Fe4 N40 O28 S8 -","4","1","","Jason England; Yisong Guo; Erik R. Farquhar; Victor G. Young Jr.; Eckard Münck; Lawrence Que Jr.","The Crystal Structure of a High-Spin Oxoiron(IV) Complex and Characterization of Its Self-Decay Pathway","Journal of the American Chemical Society","2010","132","","8635","8644","10.1021/ja100366c","","","0.71073","MoKα","","0.0777","0.0462","","","0.1037","0.1218","","","","","","1.055","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102580","22.0889","0.0004","22.0889","0.0004","13.8862","0.0004","90","","90","","90","","6775.3","0.3","295","2","295","2","","","","","","","","6","I -4","I -4","82","","","","- C30 H28 Cl2 F6 O6 Pd2 -","- C30 H28 Cl2 F6 O6 Pd2 -","- C240 H224 Cl16 F48 O48 Pd16 -","8","1","","Parthasarathy Gandeepan; Kanniyappan Parthasarathy; Chien-Hong Cheng","Synthesis of Phenanthrone Derivatives from sec-Alkyl Aryl Ketones and Aryl Halides via a Palladium-Catalyzed Dual C-H Bond Activation and Enolate Cyclization","Journal of the American Chemical Society","2010","132","","8569","8571","10.1021/ja1026248","","","0.71073","MoKα","","0.0694","0.0409","","","0.0867","0.1003","","","","","","1.012","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102581","9.153","0.006","11.934","0.008","4.372","0.003","90","","90","","90","","477.6","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- B3 Be Na O6 -","- B3 Be Na O6 -","- B12 Be4 Na4 O24 -","4","1","","Shichao Wang; Ning Ye; Wei Li; Dan Zhao","Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals","Journal of the American Chemical Society","2010","132","","8779","8786","10.1021/ja102737t","","","0.71073","MoKα","","0.0438","0.0378","","","0.0741","0.0763","","","","","","1.11","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102582","10.405","0.01","9.001","0.007","6.559","0.014","90","","114.543","0.011","90","","558.8","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B3 Be2 K O7 -","- B3 Be2 K O7 -","- B12 Be8 K4 O28 -","4","0.5","","Shichao Wang; Ning Ye; Wei Li; Dan Zhao","Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals","Journal of the American Chemical Society","2010","132","","8779","8786","10.1021/ja102737t","","","0.71073","MoKα","","0.0244","0.0235","","","0.0612","0.0619","","","","","","1.171","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102583","7.639","0.006","17.464","0.013","4.376","0.003","90","","90","","90","","583.8","0.7","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- B3 Be2 K O7 -","- B3 Be2 K O7 -","- B12 Be8 K4 O28 -","4","1","","Shichao Wang; Ning Ye; Wei Li; Dan Zhao","Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals","Journal of the American Chemical Society","2010","132","","8779","8786","10.1021/ja102737t","","","0.71073","MoKα","","0.029","0.0271","","","0.0675","0.069","","","","","","1.068","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102584","7.4766","0.0013","13.2701","0.0018","9.3263","0.0017","90","","111.272","0.01","90","","862.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B9 Be6 K3 O21 -","- B9 Be6 K3 O21 -","- B18 Be12 K6 O42 -","2","1","","Shichao Wang; Ning Ye; Wei Li; Dan Zhao","Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals","Journal of the American Chemical Society","2010","132","","8779","8786","10.1021/ja102737t","","","0.71073","MoKα","","0.0465","0.0405","","","0.1141","0.1195","","","","","","1.092","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102585","7.687","0.004","17.724","0.009","4.393","0.002","90","","90","","90","","598.5","0.5","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- B3 Be2 O7 Rb -","- B3 Be2 O7 Rb -","- B12 Be8 O28 Rb4 -","4","1","","Shichao Wang; Ning Ye; Wei Li; Dan Zhao","Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals","Journal of the American Chemical Society","2010","132","","8779","8786","10.1021/ja102737t","","","0.71073","MoKα","","0.04","0.0338","","","0.074","0.0767","","","","","","1.012","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102586","10.8373","0.0009","10.8373","0.0009","14.8921","0.0013","90","","90","","90","","1749","0.3","100","","100","","","","","","","","dichloromethane","4","P 41","P 4w","76","","2-(R)-ethoxy-5,5-di(4-bromophenyl)tetrahydrofuran","","- C18 H18 Br2 O2 -","- C18 H18 Br2 O2 -","- C72 H72 Br8 O8 -","4","1","","Ilija Čorić; Sreekumar Vellalath; Benjamin List","Catalytic Asymmetric Transacetalization","Journal of the American Chemical Society","2010","132","","8536","8537","10.1021/ja102753d","","","1.54178","Cu-Kα","","0.0168","0.0168","","","0.0407","0.0407","","","","","","1.133","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102587","13.856","0.003","4.105","0.0008","12.343","0.003","90","","118.55","0.03","90","","616.7","0.3","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- La3 O3 Sb -","- La3 O3 Sb -","- La12 O12 Sb4 -","4","0.5","","Peng Wang; Scott Forbes; Taras Kolodiazhnyi; Kosuke Kosuda; Yurij Mozharivskyj","Synthesis, Crystal and Electronic Structures of New Narrow-Band-Gap Semiconducting Antimonide Oxides RE3SbO3 and RE8Sb3-δO8, with RE = La, Sm, Gd, and Ho","Journal of the American Chemical Society","2010","132","","8795","8803","10.1021/ja1027698","","","0.71073","MoKα","","0.1104","0.0486","","","0.0589","0.0737","","","","","","0.629","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102588","13.332","0.002","3.9501","0.0004","11.9187","0.0018","90","","118.31","0.011","90","","552.6","0.14","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- O3 Sb Sm3 -","- O3 Sb Sm3 -","- O12 Sb4 Sm12 -","4","0.5","","Peng Wang; Scott Forbes; Taras Kolodiazhnyi; Kosuke Kosuda; Yurij Mozharivskyj","Synthesis, Crystal and Electronic Structures of New Narrow-Band-Gap Semiconducting Antimonide Oxides RE3SbO3 and RE8Sb3-δO8, with RE = La, Sm, Gd, and Ho","Journal of the American Chemical Society","2010","132","","8795","8803","10.1021/ja1027698","","","0.71073","MoKα","","0.0654","0.0319","","","0.0448","0.05","","","","","","0.823","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102589","13.462","0.003","3.8629","0.0008","15.23","0.003","90","","106.77","0.03","90","","758.3","0.3","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- O8 Sb3 Sm8 -","- O8 Sb2.976 Sm8 -","- O16 Sb5.952 Sm16 -","2","0.25","","Peng Wang; Scott Forbes; Taras Kolodiazhnyi; Kosuke Kosuda; Yurij Mozharivskyj","Synthesis, Crystal and Electronic Structures of New Narrow-Band-Gap Semiconducting Antimonide Oxides RE3SbO3 and RE8Sb3-δO8, with RE = La, Sm, Gd, and Ho","Journal of the American Chemical Society","2010","132","","8795","8803","10.1021/ja1027698","","","0.71073","MoKα","","0.0909","0.0389","","","0.0465","0.054","","","","","","0.801","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102590","13.272","0.003","3.8971","0.0008","11.878","0.002","90","","118.4","0.03","90","","540.4","0.2","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Gd3 O3 Sb -","- Gd3 O3 Sb -","- Gd12 O12 Sb4 -","4","0.5","","Peng Wang; Scott Forbes; Taras Kolodiazhnyi; Kosuke Kosuda; Yurij Mozharivskyj","Synthesis, Crystal and Electronic Structures of New Narrow-Band-Gap Semiconducting Antimonide Oxides RE3SbO3 and RE8Sb3-δO8, with RE = La, Sm, Gd, and Ho","Journal of the American Chemical Society","2010","132","","8795","8803","10.1021/ja1027698","","","0.71073","MoKα","","0.109","0.0664","","","0.1347","0.1475","","","","","","1.018","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102591","13.394","0.003","3.8191","0.0008","15.104","0.003","90","","107.05","0.03","90","","738.7","0.3","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Gd8 O8 Sb3 -","- Gd8 O8 Sb3 -","- Gd16 O16 Sb6 -","2","0.25","","Peng Wang; Scott Forbes; Taras Kolodiazhnyi; Kosuke Kosuda; Yurij Mozharivskyj","Synthesis, Crystal and Electronic Structures of New Narrow-Band-Gap Semiconducting Antimonide Oxides RE3SbO3 and RE8Sb3-δO8, with RE = La, Sm, Gd, and Ho","Journal of the American Chemical Society","2010","132","","8795","8803","10.1021/ja1027698","","","0.71073","MoKα","","0.0876","0.0463","","","0.0875","0.0963","","","","","","0.922","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102592","13.014","0.003","3.8218","0.0007","11.679","0.002","90","","118.213","0.014","90","","511.87","0.19","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ho3 O3 Sb -","- Ho3 O3 Sb -","- Ho12 O12 Sb4 -","4","0.5","","Peng Wang; Scott Forbes; Taras Kolodiazhnyi; Kosuke Kosuda; Yurij Mozharivskyj","Synthesis, Crystal and Electronic Structures of New Narrow-Band-Gap Semiconducting Antimonide Oxides RE3SbO3 and RE8Sb3-δO8, with RE = La, Sm, Gd, and Ho","Journal of the American Chemical Society","2010","132","","8795","8803","10.1021/ja1027698","","","0.71073","MoKα","","0.1185","0.0518","","","0.0788","0.0943","","","","","","0.914","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102593","13.1368","0.0011","3.7609","0.0002","14.87","0.0013","90","","106.958","0.007","90","","702.73","0.1","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ho8 O8 Sb3 -","- Ho8 O8 Sb2.95 -","- Ho16 O16 Sb5.9 -","2","0.25","","Peng Wang; Scott Forbes; Taras Kolodiazhnyi; Kosuke Kosuda; Yurij Mozharivskyj","Synthesis, Crystal and Electronic Structures of New Narrow-Band-Gap Semiconducting Antimonide Oxides RE3SbO3 and RE8Sb3-δO8, with RE = La, Sm, Gd, and Ho","Journal of the American Chemical Society","2010","132","","8795","8803","10.1021/ja1027698","","","0.71073","MoKα","","0.0737","0.041","","","0.066","0.072","","","","","","1.015","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102594","13.1445","0.0017","3.7597","0.0005","14.874","0.002","90","","107.025","0.005","90","","702.85","0.16","296","2","296","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ho8 O8 Sb3 -","- Ho8 O8 Sb2.946 -","- Ho16 O16 Sb5.892 -","2","0.25","","Peng Wang; Scott Forbes; Taras Kolodiazhnyi; Kosuke Kosuda; Yurij Mozharivskyj","Synthesis, Crystal and Electronic Structures of New Narrow-Band-Gap Semiconducting Antimonide Oxides RE3SbO3 and RE8Sb3-δO8, with RE = La, Sm, Gd, and Ho","Journal of the American Chemical Society","2010","132","","8795","8803","10.1021/ja1027698","","","0.71073","MoKα","","0.0467","0.0353","","","0.0666","0.0706","","","","","","1.04","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102595","14.2752","0.0006","14.173","0.0006","19.8547","0.0009","90","","92.571","0.001","90","","4013","0.3","296","2","191","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H92 Dy4 N8 O30 -","- C74 H92 Dy4 N8 O30 -","- C148 H184 Dy8 N16 O60 -","2","0.5","","Yun-Nan Guo; Gong-Feng Xu; Patrick Gamez; Lang Zhao; Shuang-Yan Lin; Ruiping Deng; Jinkui Tang; Hong-Jie Zhang","Two-Step Relaxation in a Linear Tetranuclear Dysprosium(III) Aggregate Showing Single-Molecule Magnet Behavior","Journal of the American Chemical Society","2010","132","","8538","8539","10.1021/ja103018m","","","0.71073","MoKα","","0.0201","0.0186","","","0.0462","0.0468","","","","","","1.096","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102596","18.2908","0.0002","19.333","0.0002","22.0646","0.0004","90","","94.6278","0.0004","90","","7776.96","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C132 H220 N12 O15 P8 Ru4 -","- C132 H220 N12 O15 P8 Ru4 -","- C264 H440 N24 O30 P16 Ru8 -","2","0.5","","Eugene Khaskin; Mark A. Iron; Linda J. W. Shimon; Jing Zhang; David Milstein","N-H Activation of Amines and Ammonia by Ru via Metal-Ligand Cooperation","Journal of the American Chemical Society","2010","132","","8542","8543","10.1021/ja103130u","","","0.71073","MoKα","","0.0742","0.058","","","0.145","0.1525","","","","","","1.052","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102597","22.375","0.002","8.3133","0.001","30.838","0.003","90","","101.635","0.005","90","","5618.3","1","150","2","150","2","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H29 N O2 -","- C39 H29 N O2 -","- C312 H232 N8 O16 -","8","1","","Jeanne Leblond; Hui Gao; Anne Petitjean; Jean-Christophe Leroux","pH-Responsive Molecular Tweezers","Journal of the American Chemical Society","2010","132","","8544","8545","10.1021/ja103153t","","","1.54178","CuKα","","0.0784","0.0539","","","0.118","0.1302","","","","","","1.087","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102598","13.118","0.003","15.53","0.003","7.7261","0.0015","90","","101.78","0.03","90","","1540.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Paresma R. Patel; Dale L. Boger","Intramolecular [1 + 2] and [3 + 2] Cycloaddition Reactions of Cyclopropenone Ketals","Journal of the American Chemical Society","2010","132","","8527","8529","10.1021/ja103933n","","","0.71073","MoKα","","0.1517","0.0919","","","0.2053","0.2344","","","","","","1.078","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102599","9.0122","0.0018","9.7153","0.0019","10.094","0.002","113.58","0.03","98.95","0.03","101.5","0.03","766","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C36 H38 N2 O4 -","2","1","","Paresma R. Patel; Dale L. Boger","Intramolecular [1 + 2] and [3 + 2] Cycloaddition Reactions of Cyclopropenone Ketals","Journal of the American Chemical Society","2010","132","","8527","8529","10.1021/ja103933n","","","0.71073","MoKα","","0.0748","0.0666","","","0.1868","0.1945","","","","","","1.057","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102600","8.8196","0.0018","11.018","0.002","15.998","0.003","90","","99.85","0.03","90","","1531.7","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","","Paresma R. Patel; Dale L. Boger","Intramolecular [1 + 2] and [3 + 2] Cycloaddition Reactions of Cyclopropenone Ketals","Journal of the American Chemical Society","2010","132","","8527","8529","10.1021/ja103933n","","","0.71073","MoKα","","0.089","0.049","","","0.0968","0.1118","","","","","","1.015","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102601","13.39","0.003","7.864","0.0016","16.575","0.003","90","","107.64","0.03","90","","1663.3","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C76 H88 O12 -","4","1","","Paresma R. Patel; Dale L. Boger","Intramolecular [1 + 2] and [3 + 2] Cycloaddition Reactions of Cyclopropenone Ketals","Journal of the American Chemical Society","2010","132","","8527","8529","10.1021/ja103933n","","","0.71073","MoKα","","0.0868","0.0657","","","0.169","0.183","","","","","","1.081","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102602","16.428","0.003","9.6578","0.0019","20.204","0.004","90","","90.45","0.03","90","","3205.4","1.1","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C152 H176 O24 -","8","1","","Paresma R. Patel; Dale L. Boger","Intramolecular [1 + 2] and [3 + 2] Cycloaddition Reactions of Cyclopropenone Ketals","Journal of the American Chemical Society","2010","132","","8527","8529","10.1021/ja103933n","","","0.71073","MoKα","","0.053","0.0436","","","0.104","0.1104","","","","","","1.059","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102603","7.6864","0.0015","10.286","0.002","10.406","0.002","109.63","0.03","106.62","0.03","103.44","0.03","691.6","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C28 H40 O6 -","2","1","","Paresma R. Patel; Dale L. Boger","Intramolecular [1 + 2] and [3 + 2] Cycloaddition Reactions of Cyclopropenone Ketals","Journal of the American Chemical Society","2010","132","","8527","8529","10.1021/ja103933n","","","0.71073","MoKα","","0.1469","0.0802","","","0.1762","0.2118","","","","","","1.03","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102604","30.462","0.006","8.0445","0.0016","16.349","0.003","90","","122.21","0.03","90","","3389.8","1.6","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 O3 -","- C20 H24 O3 -","- C160 H192 O24 -","8","1","","Paresma R. Patel; Dale L. Boger","Intramolecular [1 + 2] and [3 + 2] Cycloaddition Reactions of Cyclopropenone Ketals","Journal of the American Chemical Society","2010","132","","8527","8529","10.1021/ja103933n","","","0.71073","MoKα","","0.087","0.0674","","","0.1712","0.1826","","","","","","1.128","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102605","20.708","0.01","7.698","0.004","25.356","0.012","90","","90","","90","","4042","3","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-Diacetoxy-8,9-dibromo-5,12-dihydro-5,12-methanotetracene","","- C23 H16 Br2 O4 -","- C23 H16 Br2 O4 -","- C184 H128 Br16 O32 -","8","1","","Georg Jansen; Björn Kahlert; Frank-Gerrit Klärner; Roland Boese; Dieter Bläser","Intramolecular Electronic Interactions between Nonconjugated Arene and Quinone Chromophores","Journal of the American Chemical Society","2010","132","","8581","8592","10.1021/ja910362j","","","0.71073","MoKα","","0.1178","0.0376","","","0.0758","0.1008","","","","","","0.992","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102606","8.471","0.01","26.9","0.03","8.217","0.009","90","","93.28","0.02","90","","1869","4","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Diacetoxy-5,12-dihydro-5,12-methanotetracene","","- C23 H18 O4 -","- C23 H18 O4 -","- C92 H72 O16 -","4","1","","Georg Jansen; Björn Kahlert; Frank-Gerrit Klärner; Roland Boese; Dieter Bläser","Intramolecular Electronic Interactions between Nonconjugated Arene and Quinone Chromophores","Journal of the American Chemical Society","2010","132","","8581","8592","10.1021/ja910362j","","","0.71073","MoKα","","0.1746","0.0571","","","0.1344","0.1728","","","","","","0.962","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102607","11.917","0.008","10.215","0.007","15.634","0.01","90","","102.999","0.014","90","","1854","2","223","2","223","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Dimethoxy-5,14-dihydro-5,14-methanopentacene","","- C25 H20 O2 -","- C25 H20 O2 -","- C100 H80 O8 -","4","1","","Georg Jansen; Björn Kahlert; Frank-Gerrit Klärner; Roland Boese; Dieter Bläser","Intramolecular Electronic Interactions between Nonconjugated Arene and Quinone Chromophores","Journal of the American Chemical Society","2010","132","","8581","8592","10.1021/ja910362j","","","0.71073","MoKα","","0.1048","0.0452","","","0.0987","0.1195","","","","","","0.995","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102608","15.2702","0.0005","10.1219","0.0004","15.6273","0.0005","90","","96.918","0.002","90","","2397.82","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H11 Fe2 N O8 S2 -","- C25 H11 Fe2 N O8 S2 -","- C100 H44 Fe8 N4 O32 S8 -","4","1","","Amanda P. S. Samuel; Dick T. Co; Charlotte L. Stern; Michael R. Wasielewski","Ultrafast Photodriven Intramolecular Electron Transfer from a Zinc Porphyrin to a Readily Reduced Diiron Hydrogenase Model Complex","Journal of the American Chemical Society","2010","132","","8813","8815","10.1021/ja100016v","","","0.71073","MoKα","","0.0414","0.0288","","","0.0704","0.0802","","","","","","1.041","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102609","8.5625","0.0011","8.5625","0.0011","8.5625","0.0011","90","","90","","90","","627.77","0.14","100","3","100","3","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Ga6 Ge6 Mn Y4 -","- Ga6 Ge6 Mn Y4 -","- Ga12 Ge12 Mn2 Y8 -","2","0.0208333","","Melanie C. Francisco; Christos D. Malliakas; Paula M. B. Piccoli; Matthias J. Gutmann; Arthur J. Schultz; Mercouri G. Kanatzidis","Development and Loss of Ferromagnetism Controlled by the Interplay of Ge Concentration and Mn Vacancies in Structurally Modulated Y4Mn1-xGa12-yGey","Journal of the American Chemical Society","2010","132","","8998","9006","10.1021/ja1009986","","","0.71073","MoKα","","0.0274","0.0268","","","0.0775","0.0775","","","","","","3.713","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102610","8.5481","0.0007","8.5481","0.0007","8.5481","0.0007","90","","90","","90","","624.61","0.09","100","1","100","1","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Ga6 Ge6 Mn Y4 -","- Ga6 Ge6 Mn Y4 -","- Ga12 Ge12 Mn2 Y8 -","2","0.0208333","","Melanie C. Francisco; Christos D. Malliakas; Paula M. B. Piccoli; Matthias J. Gutmann; Arthur J. Schultz; Mercouri G. Kanatzidis","Development and Loss of Ferromagnetism Controlled by the Interplay of Ge Concentration and Mn Vacancies in Structurally Modulated Y4Mn1-xGa12-yGey","Journal of the American Chemical Society","2010","132","","8998","9006","10.1021/ja1009986","","","0.71073","MoKα","","0.0246","0.0237","","","0.0502","0.0503","","","","","","2.246","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102611","8.598","0.0027","8.598","0.0027","8.598","0.0027","90","","90","","90","","635.6","0.3","260","","260","1","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Ga10.98 Ge1.02 Mn0.9 Y4 -","- Ga10.98 Ge1.02 Mn0.904 Y4 -","- Ga21.96 Ge2.04 Mn1.808 Y8 -","2","0.0208333","","Melanie C. Francisco; Christos D. Malliakas; Paula M. B. Piccoli; Matthias J. Gutmann; Arthur J. Schultz; Mercouri G. Kanatzidis","Development and Loss of Ferromagnetism Controlled by the Interplay of Ge Concentration and Mn Vacancies in Structurally Modulated Y4Mn1-xGa12-yGey","Journal of the American Chemical Society","2010","132","","8998","9006","10.1021/ja1009986","powder diffraction","neutron","","neutron","","0.066","0.066","","","","0.133","","","1.75","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4102612","8.586","0.002","8.586","0.002","8.586","0.002","90","","90","","90","","633","0.3","298","","298","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Ga7.98 Ge4.02 Mn0.95 Y4 -","- Ga7.98 Ge4.02 Mn0.951 Y4 -","- Ga15.96 Ge8.04 Mn1.902 Y8 -","2","0.0208333","","Melanie C. Francisco; Christos D. Malliakas; Paula M. B. Piccoli; Matthias J. Gutmann; Arthur J. Schultz; Mercouri G. Kanatzidis","Development and Loss of Ferromagnetism Controlled by the Interplay of Ge Concentration and Mn Vacancies in Structurally Modulated Y4Mn1-xGa12-yGey","Journal of the American Chemical Society","2010","132","","8998","9006","10.1021/ja1009986","powder diffraction","neutron","","neutron","","0.087","0.071","","","","0.103","","","1.24","","","","","","","has coordinates,has Fobs","178772","2020-10-21","18:00:00",""
"4102613","13.551","0.005","11.403","0.004","11.442","0.004","90","","96.214","0.007","90","","1757.7","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O4 S -","- C19 H25 N O4 S -","- C76 H100 N4 O16 S4 -","4","1","","Michal Szostak; Lei Yao; Victor W. Day; Douglas R. Powell; Jeffrey Aubé","Structural Characterization of N-Protonated Amides: Regioselective N-Activation of Medium-Bridged Twisted Lactams","Journal of the American Chemical Society","2010","132","","8836","8837","10.1021/ja101690u","","","0.71073","MoKα","","0.0682","0.0621","","","0.1396","0.1434","","","","","","1.018","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102614","9.579","0.003","10.318","0.003","11.947","0.003","102.329","0.006","98.412","0.006","97.361","0.006","1125.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 N O4 S -","- C25 H29 N O4 S -","- C50 H58 N2 O8 S2 -","2","1","","Michal Szostak; Lei Yao; Victor W. Day; Douglas R. Powell; Jeffrey Aubé","Structural Characterization of N-Protonated Amides: Regioselective N-Activation of Medium-Bridged Twisted Lactams","Journal of the American Chemical Society","2010","132","","8836","8837","10.1021/ja101690u","","","0.71073","MoKα","","0.0931","0.0829","","","0.1871","0.1925","","","","","","1.045","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102615","12.836","0.002","10.012","0.002","18.519","0.003","90","","103.541","0.004","90","","2313.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Br N O4 S -","- C25 H28 Br N O4 S -","- C100 H112 Br4 N4 O16 S4 -","4","1","","Michal Szostak; Lei Yao; Victor W. Day; Douglas R. Powell; Jeffrey Aubé","Structural Characterization of N-Protonated Amides: Regioselective N-Activation of Medium-Bridged Twisted Lactams","Journal of the American Chemical Society","2010","132","","8836","8837","10.1021/ja101690u","","","0.71073","MoKα","","0.0536","0.0377","","","0.0899","0.0947","","","","","","1.036","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102616","9.5638","0.0019","6.2274","0.0012","29.609","0.006","90","","96.414","0.003","90","","1752.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H29 N O2 -","- C20 H29 N O2 -","- C80 H116 N4 O8 -","4","1","","Michal Szostak; Lei Yao; Victor W. Day; Douglas R. Powell; Jeffrey Aubé","Structural Characterization of N-Protonated Amides: Regioselective N-Activation of Medium-Bridged Twisted Lactams","Journal of the American Chemical Society","2010","132","","8836","8837","10.1021/ja101690u","","","0.71073","MoKα","","0.1285","0.1267","","","0.2739","0.2752","","","","","","1.161","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102617","14.5938","0.0015","11.0075","0.0009","32.94","0.003","90","","99.129","0.004","90","","5224.5","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H14 Ce2 O2 S4 -","- C94 H14 Ce2 O2 S4 -","- C376 H56 Ce8 O8 S16 -","4","1","","Dirk M. Guldi; Lai Feng; Shankara Gayathri Radhakrishnan; Hidefumi Nikawa; Michio Yamada; Naomi Mizorogi; Takahiro Tsuchiya; Takeshi Akasaka; Shigeru Nagase; M. Ángeles Herranz; Nazario Martín","A Molecular Ce2@Ih-C80 Switch-Unprecedented Oxidative Pathway in Photoinduced Charge Transfer Reactivity","Journal of the American Chemical Society","2010","132","","9078","9086","10.1021/ja101856j","","","0.71075","MoKα","","0.0994","0.0901","","","0.2602","0.2653","","","","","","1.118","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102618","7.1406","0.0003","24.5387","0.0011","11.2924","0.0006","90","","98.649","0.002","90","","1956.16","0.16","171","2","171","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 Br2 O2 -","- C21 H22 Br2 O2 -","- C84 H88 Br8 O8 -","4","2","","Kento Ishida; Hiroyuki Kusama; Nobuharu Iwasawa","Enantioselective Preparation of 8-Oxabicyclo[3.2.1]octane Derivatives via Asymmetric [3+2]-Cycloaddition of Platinum-Containing Carbonyl Ylides with Vinyl Ethers","Journal of the American Chemical Society","2010","132","","8842","8843","10.1021/ja102391t","","","0.71075","MoKα","","0.0456","0.0357","","","0.0959","0.1109","","","","","","0.728","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102619","15.3063","0.0009","11.4749","0.0007","19.1538","0.0012","90","","94.055","0.001","90","","3355.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H42 Cl Ir O2 P2 Si -","- C35 H42 Cl Ir O2 P2 Si -","- C140 H168 Cl4 Ir4 O8 P8 Si4 -","4","1","","Eduardo Sola; Alba García-Camprubí; José L. Andrés; Marta Martín; Pablo Plou","Iridium Compounds with κ-P,P,Si(biPSi) Pincer Ligands: Favoring Reactive Structures in Unsaturated Complexes","Journal of the American Chemical Society","2010","132","","9111","9121","10.1021/ja102479h","","","0.71073","MoKα","","0.0719","0.0357","","","0.0533","0.0592","","","","","","0.723","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102620","17.0033","0.0011","19.284","0.0013","10.0283","0.0007","90","","90","","90","","3288.2","0.4","100","2","100","0.2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H38 Br Cl2 Ir P2 Si -","- C32 H38 Br Cl2 Ir P2 Si -","- C128 H152 Br4 Cl8 Ir4 P8 Si4 -","4","1","","Eduardo Sola; Alba García-Camprubí; José L. Andrés; Marta Martín; Pablo Plou","Iridium Compounds with κ-P,P,Si(biPSi) Pincer Ligands: Favoring Reactive Structures in Unsaturated Complexes","Journal of the American Chemical Society","2010","132","","9111","9121","10.1021/ja102479h","","","0.71073","MoKα","","0.0359","0.0266","","","0.0406","0.0416","","","","","","0.814","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102621","11.3007","0.0007","18.6699","0.0012","13.9997","0.0009","90","","99.925","0.001","90","","2909.5","0.3","100","2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 Br Ir P2 Si -","- C31 H36 Br Ir P2 Si -","- C124 H144 Br4 Ir4 P8 Si4 -","4","1","","Eduardo Sola; Alba García-Camprubí; José L. Andrés; Marta Martín; Pablo Plou","Iridium Compounds with κ-P,P,Si(biPSi) Pincer Ligands: Favoring Reactive Structures in Unsaturated Complexes","Journal of the American Chemical Society","2010","132","","9111","9121","10.1021/ja102479h","","","0.71073","MoKα","","0.0285","0.0211","","","0.04","0.0409","","","","","","0.891","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102622","7.8913","0.0003","22.2515","0.0008","9.1239","0.0003","90","","111.896","0.001","90","","1486.52","0.09","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C31 H36 I Ir P2 Si -","- C31 H36 I Ir P2 Si -","- C62 H72 I2 Ir2 P4 Si2 -","2","0.5","","Eduardo Sola; Alba García-Camprubí; José L. Andrés; Marta Martín; Pablo Plou","Iridium Compounds with κ-P,P,Si(biPSi) Pincer Ligands: Favoring Reactive Structures in Unsaturated Complexes","Journal of the American Chemical Society","2010","132","","9111","9121","10.1021/ja102479h","","","0.71073","MoKα","","0.0199","0.0186","","","0.0415","0.0419","","","","","","1.045","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102623","11.4095","0.0008","18.8397","0.0013","14.1399","0.001","90","","100.888","0.001","90","","2984.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Br Ir O P2 Si -","- C32 H36 Br Ir O P2 Si -","- C128 H144 Br4 Ir4 O4 P8 Si4 -","4","1","","Eduardo Sola; Alba García-Camprubí; José L. Andrés; Marta Martín; Pablo Plou","Iridium Compounds with κ-P,P,Si(biPSi) Pincer Ligands: Favoring Reactive Structures in Unsaturated Complexes","Journal of the American Chemical Society","2010","132","","9111","9121","10.1021/ja102479h","","","0.71073","MoKα","","0.0313","0.0235","","","0.0467","0.0478","","","","","","0.911","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102624","7.6296","0.0006","20.834","0.0016","21.0695","0.0016","90","","90","","90","","3349.1","0.4","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H41 Cl3 Ir N P2 Si -","- C34 H41 Cl3 Ir N P2 Si -","- C136 H164 Cl12 Ir4 N4 P8 Si4 -","4","0.5","","Eduardo Sola; Alba García-Camprubí; José L. Andrés; Marta Martín; Pablo Plou","Iridium Compounds with κ-P,P,Si(biPSi) Pincer Ligands: Favoring Reactive Structures in Unsaturated Complexes","Journal of the American Chemical Society","2010","132","","9111","9121","10.1021/ja102479h","","","0.71073","MoKα","","0.0535","0.0301","","","0.0429","0.0461","","","","","","0.883","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102625","10.5097","0.0009","20.8031","0.0017","14.1343","0.0012","90","","91.806","0.002","90","","3088.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H39 Ir O2 P2 Si -","- C33 H39 Ir O2 P2 Si -","- C132 H156 Ir4 O8 P8 Si4 -","4","1","","Eduardo Sola; Alba García-Camprubí; José L. Andrés; Marta Martín; Pablo Plou","Iridium Compounds with κ-P,P,Si(biPSi) Pincer Ligands: Favoring Reactive Structures in Unsaturated Complexes","Journal of the American Chemical Society","2010","132","","9111","9121","10.1021/ja102479h","","","0.71073","MoKα","","0.0809","0.0425","","","0.0588","0.0659","","","","","","0.767","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102626","14.116","0.0006","19.3072","0.0008","22.4163","0.0009","90","","90","","90","","6109.3","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H38 Cl Ir P2 Si -","- C33 H38 Cl Ir P2 Si -","- C264 H304 Cl8 Ir8 P16 Si8 -","8","2","","Eduardo Sola; Alba García-Camprubí; José L. Andrés; Marta Martín; Pablo Plou","Iridium Compounds with κ-P,P,Si(biPSi) Pincer Ligands: Favoring Reactive Structures in Unsaturated Complexes","Journal of the American Chemical Society","2010","132","","9111","9121","10.1021/ja102479h","","","0.71073","MoKα","","0.0619","0.0379","","","0.0532","0.058","","","","","","0.71","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102627","7.785","0.0005","10.978","0.0012","11.403","0.0011","95.927","0.007","103.375","0.007","96.072","0.008","934.54","0.15","122","2","122","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H58 N2 O Si2 -","- C38 H58 N2 O Si2 -","- C38 H58 N2 O Si2 -","1","0.5","","Søren Lindbaek Broman; Michael Åxman Petersen; Christian G. Tortzen; Anders Kadziola; Kristine Kilså; Mogens Brøndsted Nielsen","Arylethynyl Derivatives of the Dihydroazulene/Vinylheptafulvene Photo/Thermoswitch: Tuning the Switching Event","Journal of the American Chemical Society","2010","132","","9165","9174","10.1021/ja103235g","","","0.71073","MoKα","","0.1312","0.0942","","","0.1911","0.2159","","","","","","1.078","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102628","8.5537","0.0002","15.3855","0.0003","16.0317","0.0003","78.407","0.002","78.195","0.002","87.104","0.001","2022.97","0.08","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C34.5 H55 B Cl4 Ga N2 P -","- C34.5 H55 B Cl4 Ga N2 P -","- C69 H110 B2 Cl8 Ga2 N4 P2 -","2","1","","Florie Lavigne; Eddy Maerten; Gilles Alcaraz; Nathalie Saffon-Merceron; Carles Acosta-Silva; Vicenç Branchadell; Antoine Baceiredo","Borylated Methylenephosphonium Salts: Precursors of Elusive Boryl(phosphino)carbenes","Journal of the American Chemical Society","2010","132","","8864","8865","10.1021/ja103422b","","","0.71073","MoKα","","0.0655","0.0398","","","0.0885","0.1001","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102629","11.1594","0.0004","9.2248","0.0004","30.9493","0.0012","90","","98.917","0.003","90","","3147.5","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H50 B N2 P -","- C31 H50 B N2 P -","- C124 H200 B4 N8 P4 -","4","1","","Florie Lavigne; Eddy Maerten; Gilles Alcaraz; Nathalie Saffon-Merceron; Carles Acosta-Silva; Vicenç Branchadell; Antoine Baceiredo","Borylated Methylenephosphonium Salts: Precursors of Elusive Boryl(phosphino)carbenes","Journal of the American Chemical Society","2010","132","","8864","8865","10.1021/ja103422b","","","0.71073","MoKα","","0.1721","0.0684","","","0.1403","0.1787","","","","","","1.011","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102630","11.7546","0.0003","8.5825","0.0002","19.6622","0.0006","90","","103.959","0.001","90","","1925.02","0.09","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H42 B Fe N O2 -","- C52 H42 B Fe N O2 -","- C104 H84 B2 Fe2 N2 O4 -","2","1","","Giorgio Mirri; Steven D. Bull; Peter N. Horton; Tony D. James; Louise Male; James H. R. Tucker","Electrochemical Method for the Determination of Enantiomeric Excess of Binol Using Redox-Active Boronic Acids as Chiral Sensors","Journal of the American Chemical Society","2010","132","","8903","8905","10.1021/ja103462x","","","0.71073","MoKα","","0.0721","0.0592","","","0.1183","0.1307","","","","","","1.164","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102631","10.1494","0.0002","14.1915","0.0003","24.3721","0.0006","90","","98.372","0.001","90","","3473.03","0.13","296","2","296","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C34 H48 N2 O7 S -","- C34 H48 N2 O7 S -","- C136 H192 N8 O28 S4 -","4","2","","Łukasz Albrecht; Hao Jiang; Gustav Dickmeiss; Björn Gschwend; Signe Grann Hansen; Karl Anker Jørgensen","Asymmetric Formal trans-Dihydroxylation and trans-Aminohydroxylation of α,β-Unsaturated Aldehydes via an Organocatalytic Reaction Cascade","Journal of the American Chemical Society","2010","132","","9188","9196","10.1021/ja103538s","","x-ray","0.71073","MoKα","","0.0567","0.0468","","","0.133","0.1422","","","","","","1.024","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102632","15.346","0.004","15.422","0.004","17.595","0.004","113.517","0.003","98.507","0.003","103.154","0.003","3582.7","1.6","110","2","110","2","","","","","","","","7","P 1","P 1","1","1-CyD","","","- C98 H204 Fe2 N Na O107 S3 -","- C98 H145 Fe2 N Na O104.84 S3 -","- C98 H145 Fe2 N Na O104.84 S3 -","1","1","","Michael L. Singleton; Joseph H. Reibenspies; Marcetta Y. Darensbourg","A Cyclodextrin Host/Guest Approach to a Hydrogenase Active Site Biomimetic Cavity","Journal of the American Chemical Society","2010","132","","8870","8871","10.1021/ja103774j","","","0.71073","MoKα","","0.1277","0.0832","","","0.1797","0.2086","","","","","","0.999","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102633","22.1279","0.0002","7.6853","0.0005","16.7425","0.001","90","","99.752","0.002","90","","2806.1","0.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","TEA1","","","- C22 H24 Fe2 N2 O9 S3 -","- C22 H24 Fe2 N2 O9 S3 -","- C88 H96 Fe8 N8 O36 S12 -","4","1","","Michael L. Singleton; Joseph H. Reibenspies; Marcetta Y. Darensbourg","A Cyclodextrin Host/Guest Approach to a Hydrogenase Active Site Biomimetic Cavity","Journal of the American Chemical Society","2010","132","","8870","8871","10.1021/ja103774j","","","0.71073","MoKα","","0.0575","0.0408","","","0.0888","0.0941","","","","","","1.064","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102634","20.8279","0.0004","15.5918","0.0003","10.3665","0.0002","90","","110.947","0.001","90","","3143.98","0.11","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","P(CH2Ad)(i-Pr)2","","","- C17 H31 P -","- C17 H31 P -","- C136 H248 P8 -","8","1","","Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations","Journal of the American Chemical Society","2010","132","","8921","8923","10.1021/ja1037808","","","1.54178","CuKα","","0.0281","0.0269","","","0.0718","0.0726","","","","","","1.04","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102635","10.314","0.0016","12.636","0.0019","13.91","0.002","97.399","0.002","95.803","0.002","92.354","0.002","1785.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","H2IrCl(P(CH2Ad)(i-Pr)2)2","","","- C36 H69 Cl Ir O0.5 P2 -","- C34 H64 Cl Ir P2 -","- C68 H128 Cl2 Ir2 P4 -","2","1","","Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations","Journal of the American Chemical Society","2010","132","","8921","8923","10.1021/ja1037808","","","0.71073","MoKα","","0.0379","0.0295","","","0.0562","0.0584","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102636","10.9025","0.0004","11.8348","0.0004","13.4097","0.0005","90","","111.181","0.002","90","","1613.35","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","H2Ir(kappa-2-C,P-(P(CH2Ad)(i-Pr)2))(P(CH2Ad)(i-Pr)2)","","","- C34 H62 Ir P2 -","- C34 H62 Ir P2 -","- C68 H124 Ir2 P4 -","2","1","","Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations","Journal of the American Chemical Society","2010","132","","8921","8923","10.1021/ja1037808","","","0.71073","MoKα","","0.0304","0.0273","","","0.0641","0.0654","","","","","","1.048","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102637","10.429","0.005","13.741","0.005","13.801","0.005","116.142","0.005","90.733","0.005","105.16","0.005","1694.8","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","H2Ir(OH)(P(CH2Ad)(i-Pr)2)2","","","- C34 H65 Ir O P2 -","- C34 H65 Ir O P2 -","- C68 H130 Ir2 O2 P4 -","2","1","","Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations","Journal of the American Chemical Society","2010","132","","8921","8923","10.1021/ja1037808","","","0.71069","MoKα","","0.0224","0.0199","","","0.042","0.0435","","","","","","1.04","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102638","15.694","0.0009","13.116","0.0007","17.2375","0.0009","90","","102.654","0.001","90","","3462","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","HIr(N2)(P(CH2Ad)(i-Pr)2)2","","","- C34 H63 Ir N2 P2 -","- C34 H63 Ir N2 P2 -","- C136 H252 Ir4 N8 P8 -","4","1","","Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations","Journal of the American Chemical Society","2010","132","","8921","8923","10.1021/ja1037808","","","0.71073","MoKα","","0.0192","0.0172","","","0.0462","0.0494","","","","","","1.014","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102639","13.1354","0.0009","11.1154","0.0008","22.907","0.0016","90","","100.983","0.001","90","","3283.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","H3Ir(P(CH2Ad)(i-Pr)2)2","","","- C34 H65 Ir P2 -","- C34 H65 Ir P2 -","- C136 H260 Ir4 P8 -","4","1","","Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations","Journal of the American Chemical Society","2010","132","","8921","8923","10.1021/ja1037808","","","0.71073","MoKα","","0.0437","0.0345","","","0.0689","0.0737","","","","","","1.053","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102640","10.918","0.003","16.463","0.005","21.628","0.007","90","","90","","90","","3887","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Li(Et2O)][HIr(kappa-2-C,P-(P(CH2Ad)(i-Pr)2))(P(CH2Ad)(i-Pr)2)","","","- C38 H72 Ir Li O P2 -","- C38 H72 Ir Li O P2 -","- C152 H288 Ir4 Li4 O4 P8 -","4","1","","Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations","Journal of the American Chemical Society","2010","132","","8921","8923","10.1021/ja1037808","","","0.71073","MoKα","","0.0514","0.0437","","","0.105","0.1116","","","","","","1.046","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102641","10.776","0.013","12.182","0.014","26.9","0.03","90","","98.916","0.015","90","","3489","7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","H5Ir(P(CH2Ad)(i-Pr)2)2","","","- C34 H67 Ir P2 -","- C34 H67 Ir P2 -","- C136 H268 Ir4 P8 -","4","1","","Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations","Journal of the American Chemical Society","2010","132","","8921","8923","10.1021/ja1037808","","","0.71073","MoKα","","0.0683","0.0451","","","0.0945","0.1048","","","","","","1.033","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102642","13.1359","0.0011","14.0399","0.0012","15.8641","0.0014","87.976","0.001","86.669","0.001","89.379","0.001","2918.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Li(12-c-4)2][HIr(kappa-2-C,P-(P(CH2Ad)(i-Pr)2)(P(CH2Ad)(i-Pr)2)]","","","- C58 H114 Ir Li O10 P2 -","- C50 H94 Ir Li O8 P2 -","- C100 H188 Ir2 Li2 O16 P4 -","2","1","","Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations","Journal of the American Chemical Society","2010","132","","8921","8923","10.1021/ja1037808","","","0.71073","MoKα","","0.0437","0.0365","","","0.0721","0.0752","","","","","","1.045","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102643","10.332","0.001","13.264","0.0012","16.494","0.0017","104.808","0.001","93.177","0.001","110.705","0.001","2017.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","H2Ir(OC6F5)(P(CH2Ad)(i-Pr)2)2","","","- C40 H64 F5 Ir O P2 -","- C40 H64 F5 Ir O P2 -","- C80 H128 F10 Ir2 O2 P4 -","2","1","","Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations","Journal of the American Chemical Society","2010","132","","8921","8923","10.1021/ja1037808","","","0.71073","MoKα","","0.0331","0.0286","","","0.0754","0.0821","","","","","","1.041","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102644","6.8952","0.001","8.7695","0.0013","8.9826","0.0013","69.553","0.001","72.897","0.001","80.674","0.002","485.36","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H15 N O2 -","- C10 H15 N O2 -","- C20 H30 N2 O4 -","2","1","","Gardner S. Creech; Ohyun Kwon","Tandem 6π-Electrocyclization and Cycloaddition of Nitrodienes to Yield Multicyclic Nitroso Acetals","Journal of the American Chemical Society","2010","132","","8876","8877","10.1021/ja1038819","","","0.71073","MoKα","","0.0423","0.0375","","","0.1037","0.1076","","","","","","1.086","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102645","7.1535","0.0013","18.602","0.003","9.932","0.0017","90","","90.295","0.002","90","","1321.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 N O4 -","- C14 H21 N O4 -","- C56 H84 N4 O16 -","4","1","","Gardner S. Creech; Ohyun Kwon","Tandem 6π-Electrocyclization and Cycloaddition of Nitrodienes to Yield Multicyclic Nitroso Acetals","Journal of the American Chemical Society","2010","132","","8876","8877","10.1021/ja1038819","","","0.71073","MoKα","","0.0517","0.0384","","","0.1004","0.1081","","","","","","1.044","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102646","8.931","0.002","8.324","0.002","10.071","0.002","90","","109.397","0.003","90","","706.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","silver(I) (1-amino-2,2-dinitrovinyl)amide ammonia","","- C2 H6 Ag N5 O4 -","- C2 H6 Ag N5 O4 -","- C8 H24 Ag4 N20 O16 -","4","1","","Sonali Garg; Haixiang Gao; Young-Hyuk Joo; Damon A. Parrish; Yangen Huang; Jean'ne M. Shreeve","Taming of the Silver FOX","Journal of the American Chemical Society","2010","132","","8888","8890","10.1021/ja103935q","","","0.71073","MoKα","","0.0196","0.0192","","","0.048","0.0482","","","","","","1.303","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102647","8.3696","0.0002","11.8615","0.0003","13.5708","0.0003","100.375","0.001","97.124","0.001","104.482","0.001","1262.74","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H40 Ni O4 P2 -","- C23 H40 Ni O4 P2 -","- C46 H80 Ni2 O8 P4 -","2","1","","Sumit Chakraborty; Jie Zhang; Jeanette A. Krause; Hairong Guan","An Efficient Nickel Catalyst for the Reduction of Carbon Dioxide with a Borane","Journal of the American Chemical Society","2010","132","","8872","8873","10.1021/ja103982t","","","1.54178","CuKα","","0.0509","0.0396","","","0.1014","0.1087","","","","","","1.023","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102648","27.4021","0.0004","17.3999","0.0002","27.9819","0.0004","90","","90","","90","","13341.6","0.3","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H77 N Ni O P3 S3 Si3 -","- C68 H77 N Ni O P3 S3 Si3 -","- C544 H616 N8 Ni8 O8 P24 S24 Si24 -","8","1","","Chien-Ming Lee; Chien-Hong Chen; Fu-Xing Liao; Ching-Han Hu; Gene-Hsiang Lee","Mononuclear NiIII-Alkyl Complexes (Alkyl = Me and Et): Relevance to the Acetyl-CoA Synthase and Methyl-CoM Reductase","Journal of the American Chemical Society","2010","132","","9256","9258","10.1021/ja102430d","","","0.71073","MoKα","","0.1212","0.0516","","","0.1205","0.14","","","","","","1.066","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102649","27.4736","0.0005","17.4627","0.0003","27.9844","0.0005","90","","90","","90","","13425.9","0.4","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C69 H79 N Ni O P3 S3 Si3 -","- C69 H79 N Ni O P3 S3 Si3 -","- C552 H632 N8 Ni8 O8 P24 S24 Si24 -","8","1","","Chien-Ming Lee; Chien-Hong Chen; Fu-Xing Liao; Ching-Han Hu; Gene-Hsiang Lee","Mononuclear NiIII-Alkyl Complexes (Alkyl = Me and Et): Relevance to the Acetyl-CoA Synthase and Methyl-CoM Reductase","Journal of the American Chemical Society","2010","132","","9256","9258","10.1021/ja102430d","","","0.71073","MoKα","","0.0864","0.0506","","","0.1384","0.1574","","","","","","1.038","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102650","14.1385","0.0005","27.79","0.0008","15.1434","0.0005","90","","93.491","0.002","90","","5938.9","0.3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H54 Cl8 N4 Ni O4 -","- C60 H54 Cl8 N4 Ni O4 -","- C240 H216 Cl32 N16 Ni4 O16 -","4","0.5","","Andrew G. Tennyson; Vincent M. Lynch; Christopher W. Bielawski","Arrested Catalysis: Controlling Kumada Coupling Activity via a Redox-Active N-Heterocyclic Carbene","Journal of the American Chemical Society","2010","132","","9420","9429","10.1021/ja102686u","","","0.71069","MoKα","","0.0504","0.0457","","","0.1179","0.122","","","","","","1.078","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102651","14.5799","0.0005","27.869","0.001","15.8661","0.0006","90","","90","","90","","6446.8","0.4","153","2","153","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C58 H52 Cl2 N4 O4 Pd -","- C58 H52 Cl2 N4 O4 Pd -","- C232 H208 Cl8 N16 O16 Pd4 -","4","0.25","","Andrew G. Tennyson; Vincent M. Lynch; Christopher W. Bielawski","Arrested Catalysis: Controlling Kumada Coupling Activity via a Redox-Active N-Heterocyclic Carbene","Journal of the American Chemical Society","2010","132","","9420","9429","10.1021/ja102686u","","","0.71073","MoKα","","0.111","0.059","","","0.1469","0.1631","","","","","","1.052","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102652","14.708","0.006","27.671","0.012","16.028","0.007","90","","90","","90","","6523","5","233","2","233","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C63 H64 Cl2 N4 O4 Pt -","- C58 H52 Cl2 N4 O4 Pt -","- C232 H208 Cl8 N16 O16 Pt4 -","4","0.25","","Andrew G. Tennyson; Vincent M. Lynch; Christopher W. Bielawski","Arrested Catalysis: Controlling Kumada Coupling Activity via a Redox-Active N-Heterocyclic Carbene","Journal of the American Chemical Society","2010","132","","9420","9429","10.1021/ja102686u","","","0.71069","MoKα","","0.0604","0.0534","","","0.1263","0.1286","","","","","","1.908","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102653","42.9245","0.0002","42.9245","0.0002","42.9245","0.0002","90","","90","","90","","79088.9","0.6","258","2","258","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","IRMOF-76","","","- C69 H45 N6 O13 Zn4 -","- C69 H51 N6 O13 Zn4 -","- C552 H408 N48 O104 Zn32 -","8","0.0416667","","Kounosuke Oisaki; Qiaowei Li; Hiroyasu Furukawa; Alexander U. Czaja; Omar M. Yaghi","A Metal-Organic Framework with Covalently Bound Organometallic Complexes","Journal of the American Chemical Society","2010","132","","9262","9264","10.1021/ja103016y","","","1.54178","CuKα","","0.1669","0.1465","","","0.4135","0.4378","","","","","","1.941","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102654","31.0845","0.0004","31.0845","0.0004","71.018","0.002","90","","90","","120","","59427","2","258","2","258","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","IRMOF-77","","","- C84 H63 I6 N9 O30 Pd3 Zn4 -","- C84 H63 I6 N9 O30 Pd3 Zn4 -","- C1008 H756 I72 N108 O360 Pd36 Zn48 -","12","0.333333","","Kounosuke Oisaki; Qiaowei Li; Hiroyasu Furukawa; Alexander U. Czaja; Omar M. Yaghi","A Metal-Organic Framework with Covalently Bound Organometallic Complexes","Journal of the American Chemical Society","2010","132","","9262","9264","10.1021/ja103016y","","","1.54178","CuKα","","0.1754","0.1033","","","0.2897","0.3399","","","","","","1.141","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102655","31.0845","0.0004","31.0845","0.0004","71.018","0.002","90","","90","","120","","59427","2","258","2","258","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","IRMOF-77squeeze","","","- C84 H63 I6 N9 O13 Pd3 Zn4 -","- C84 H63 I6 N9 O13 Pd3 Zn4 -","- C1008 H756 I72 N108 O156 Pd36 Zn48 -","12","0.333333","","Kounosuke Oisaki; Qiaowei Li; Hiroyasu Furukawa; Alexander U. Czaja; Omar M. Yaghi","A Metal-Organic Framework with Covalently Bound Organometallic Complexes","Journal of the American Chemical Society","2010","132","","9262","9264","10.1021/ja103016y","","","1.54178","CuKα","","0.107","0.056","","","0.1239","0.1389","","","","","","0.95","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102656","5.2508","0.0002","6.6452","0.0003","18.5082","0.0009","84.069","0.002","86.195","0.002","69.564","0.003","601.6","0.05","120","2","120","2","","","","","","","","3","P 1","P 1","1","","","","- C14 H16 S8 -","- C14 H16 S8 -","- C14 H16 S8 -","1","1","","José R. Galán-Mascarós; Eugenio Coronado; Paul A. Goddard; John Singleton; Amalia I. Coldea; John D. Wallis; Simon J. Coles; Antonio Alberola","A Chiral Ferromagnetic Molecular Metal","Journal of the American Chemical Society","2010","132","","9271","9273","10.1021/ja103147k","","","0.71073","MoKα","","0.0731","0.0647","","","0.1746","0.1826","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102657","12.1989","0.0006","12.711","0.0006","18.6558","0.001","81.461","0.001","70.925","0.001","76.345","0.001","2648.6","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H56 N6 O6 -","- C62 H56 N6 O6 -","- C124 H112 N12 O12 -","2","1","","Daniel M. D'Souza; David A. Leigh; Loïc Mottier; Kathleen M. Mullen; Francesco Paolucci; Simon J. Teat; Songwei Zhang","Nitrone [2]Rotaxanes: Simultaneous Chemical Protection and Electrochemical Activation of a Functional Group","Journal of the American Chemical Society","2010","132","","9465","9470","10.1021/ja1034683","","","0.71073","MoKα","","0.1423","0.0594","","","0.0941","0.1214","","","","","","0.987","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102658","14.547","0.004","11.196","0.003","16.222","0.004","90","","108.408","0.004","90","","2506.9","1.1","150","2","150","2","","","","","","","?","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 N8 O6 -","- C60 H54 N8 O6 -","- C120 H108 N16 O12 -","2","0.5","","Daniel M. D'Souza; David A. Leigh; Loïc Mottier; Kathleen M. Mullen; Francesco Paolucci; Simon J. Teat; Songwei Zhang","Nitrone [2]Rotaxanes: Simultaneous Chemical Protection and Electrochemical Activation of a Functional Group","Journal of the American Chemical Society","2010","132","","9465","9470","10.1021/ja1034683","","","0.6884","Synchrotron","","0.1499","0.1012","","0.2693","0.2311","","","","1.053","1.18","1.18","","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102659","15.331","0.002","11.1669","0.0014","18.44","0.002","90","","110.639","0.002","90","","2954.3","0.6","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H72 N10 O10 -","- C66 H68 N10 O8 -","- C132 H136 N20 O16 -","2","0.5","","Daniel M. D'Souza; David A. Leigh; Loïc Mottier; Kathleen M. Mullen; Francesco Paolucci; Simon J. Teat; Songwei Zhang","Nitrone [2]Rotaxanes: Simultaneous Chemical Protection and Electrochemical Activation of a Functional Group","Journal of the American Chemical Society","2010","132","","9465","9470","10.1021/ja1034683","","","0.71073","MoKα","","0.2759","0.0971","","","0.1735","0.2495","","","","","","1.063","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102660","9.7107","0.0004","12.3459","0.0005","20.2414","0.0008","90","","90","","90","","2426.69","0.17","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 O -","- C28 H32 N2 O -","- C112 H128 N8 O4 -","4","1","","Adam R. Brown; Wen-Hsin Kuo; Eric N. Jacobsen","Enantioselective Catalytic α-Alkylation of Aldehydes via an SN1 Pathway","Journal of the American Chemical Society","2010","132","","9286","9288","10.1021/ja103618r","","x-ray","0.71073","MoKα","","0.0426","0.0393","","","0.1023","0.1054","","","","","","1.056","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102661","18.935","0.004","10.6904","0.0009","30.382","0.006","90","","103.88","0.02","90","","5970.4","1.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 F3 N3 Na Zn -","- C26 H47 F3 N3 Na Zn -","- C208 H376 F24 N24 Na8 Zn8 -","8","2","","David R. Armstrong; Victoria L. Blair; William Clegg; Sophie H. Dale; Joaquin Garcia-Alvarez; Gordon W. Honeyman; Eva Hevia; Robert E. Mulvey; Luca Russo","Structural Basis for Regioisomerization in the Alkali-Metal-Mediated Zincation (AMMZn) of Trifluoromethyl Benzene by Isolation of Kinetic and Thermodynamic Intermediates","Journal of the American Chemical Society","2010","132","","9480","9487","10.1021/ja1038598","","","0.71073","MoKα","","0.1487","0.102","","","0.1871","0.2046","","","","","","1.186","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102662","10.4379","0.0004","10.592","0.0004","17.3032","0.0007","88.91","0.003","89.721","0.003","60.559","0.002","1665.65","0.12","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C27 H54 F3 N4 Na Zn -","- C27 H54 F3 N4 Na Zn -","- C54 H108 F6 N8 Na2 Zn2 -","2","2","","David R. Armstrong; Victoria L. Blair; William Clegg; Sophie H. Dale; Joaquin Garcia-Alvarez; Gordon W. Honeyman; Eva Hevia; Robert E. Mulvey; Luca Russo","Structural Basis for Regioisomerization in the Alkali-Metal-Mediated Zincation (AMMZn) of Trifluoromethyl Benzene by Isolation of Kinetic and Thermodynamic Intermediates","Journal of the American Chemical Society","2010","132","","9480","9487","10.1021/ja1038598","","","0.71073","MoKα","","0.1003","0.0712","","","0.1874","0.2021","","","","","","1.118","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102663","11.5889","0.0007","13.1255","0.0008","11.0959","0.0006","90","","97.599","0.001","90","","1672.98","0.17","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","1","","Tse-Min Teng; Rai-Shung Liu","Gold-Catalyzed Stereocontrolled Oxacyclization/[4+2]-Cycloaddition Cascade of Ketone-Allene Substrates","Journal of the American Chemical Society","2010","132","","9298","9300","10.1021/ja1043837","","","0.71073","MoKα","","0.0749","0.0486","","","0.1234","0.1428","","","","","","1.025","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102664","10.7084","0.0009","16.545","0.002","16.912","0.002","116.991","0.008","99.824","0.009","94.007","0.009","2593.5","0.5","299","","299","","","","","","","","Local laboratory","7","P -1","-P 1","2","","","","- C55 H42 Cl4 Fe N5 O6 P2 -","- C55 H42 Cl4 Fe N5 O6 P2 -","- C110 H84 Cl8 Fe2 N10 O12 P4 -","2","1","","W. Chadwick Ellis; Camly T. Tran; Riddhi Roy; Marte Rusten; Andreas Fischer; Alexander D. Ryabov; Bruce Blumberg; Terrence J. Collins","Designing Green Oxidation Catalysts for Purifying Environmental Waters","Journal of the American Chemical Society","2010","132","","9774","9781","10.1021/ja102524v","","","0.71073","MoKα","","0.0888","0.0462","","","0.0957","0.1144","","","","","","1.036","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102665","13.603","0.018","26.57","0.03","17.956","0.018","90","","111.14","0.03","90","","6053","12","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis-(meso-aryldibenzodipyrrin) Zn","","","- C40 H40 N4 O4 Zn -","- C35 H35 N2 O6 Zn0.5 -","- C280 H280 N16 O48 Zn4 -","8","1","","Mikhail A. Filatov; Artem Y. Lebedev; Sergei N. Mukhin; Sergei A. Vinogradov; Andrei V. Cheprakov","π-Extended Dipyrrins Capable of Highly Fluorogenic Complexation with Metal Ions","Journal of the American Chemical Society","2010","132","","9552","9554","10.1021/ja102852v","","","0.71073","MoKα","","0.1503","0.0465","","","0.1058","0.1572","","","","","","0.599","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102666","9.747","0.004","10.219","0.004","11.139","0.004","83.48","0.04","100.08","0.03","114.46","0.03","993.3","0.7","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H28 N2 O3 -","- C21 H28 N2 O3 -","- C42 H56 N4 O6 -","2","1","","Hirokazu Nishimaki; Takayuki Ishida","Organic Two-Step Spin-Transition-Like Behavior in a Linear S = 1 Array: 3'-Methylbiphenyl-3,5-diyl Bis(tert-butylnitroxide) and Related Compounds","Journal of the American Chemical Society","2010","132","","9598","9599","10.1021/ja102890g","","","0.71069","MoKα","","","0.0676","","","","0.1111","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102667","9.2411","0.0005","10.3875","0.0002","11.754","0.0005","110.621","0.004","96.472","0.003","112.361","0.004","936.09","0.09","116","","116","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C42 H56 N4 O4 -","2","1","","Hirokazu Nishimaki; Takayuki Ishida","Organic Two-Step Spin-Transition-Like Behavior in a Linear S = 1 Array: 3'-Methylbiphenyl-3,5-diyl Bis(tert-butylnitroxide) and Related Compounds","Journal of the American Chemical Society","2010","132","","9598","9599","10.1021/ja102890g","","","0.71069","MoKα","","","0.0595","","","","0.1195","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102668","9.435","0.0002","10.4957","0.0003","11.8671","0.0006","109.61","0.002","93.87","0.003","114.433","0.005","978.27","0.08","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C42 H56 N4 O4 -","2","1","","Hirokazu Nishimaki; Takayuki Ishida","Organic Two-Step Spin-Transition-Like Behavior in a Linear S = 1 Array: 3'-Methylbiphenyl-3,5-diyl Bis(tert-butylnitroxide) and Related Compounds","Journal of the American Chemical Society","2010","132","","9598","9599","10.1021/ja102890g","","","0.71069","MoKα","","","0.0619","","","","0.1032","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102669","22.315","0.011","22.885","0.005","27.307","0.007","110.001","0.003","105.508","0.004","99.386","0.004","12118","7","80","2","80","2","","","","","","","","5","P -1","-P 1","2","","","","- C306 H304 N85 O169.9 Pd12 -","- C306 H304 N85 O169.9 Pd12 -","- C306 H304 N85 O169.9 Pd12 -","1","0.5","","Yoshihiro Yamauchi; Yuya Hanaoka; Michito Yoshizawa; Munetaka Akita; Takahiro Ichikawa; Masafumi Yoshio; Takashi Kato; Makoto Fujita","mxn Stacks of Discrete Aromatic Stacks in Solution","Journal of the American Chemical Society","2010","132","","9555","9557","10.1021/ja103180z","","","0.71073","MoKα","","0.2591","0.1102","","","0.3053","0.4019","","","","","","1.093","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102670","8.8298","0.0002","11.8871","0.0003","21.7347","0.0006","90","","90","","90","","2281.29","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O5 -","- C28 H27 N O5 -","- C112 H108 N4 O20 -","4","1","","Andrew T. Parsons; Austin G. Smith; Andrew J. Neel; Jeffrey S. Johnson","Dynamic Kinetic Asymmetric Synthesis of Substituted Pyrrolidines from Racemic Cyclopropanes and Aldimines: Reaction Development and Mechanistic Insights","Journal of the American Chemical Society","2010","132","","9688","9692","10.1021/ja1032277","","","1.54178","CuKα","","0.0403","0.0349","","","0.0825","0.0855","","","","","","1.088","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102671","12.5013","0.0009","6.8025","0.0005","14.8285","0.0012","90","","97.901","0.005","90","","1249.05","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H26 Br N2 O5 -","- C28 H26 Br N3 O5 -","- C56 H52 Br2 N6 O10 -","2","1","","Andrew T. Parsons; Austin G. Smith; Andrew J. Neel; Jeffrey S. Johnson","Dynamic Kinetic Asymmetric Synthesis of Substituted Pyrrolidines from Racemic Cyclopropanes and Aldimines: Reaction Development and Mechanistic Insights","Journal of the American Chemical Society","2010","132","","9688","9692","10.1021/ja1032277","","","1.54178","CuKα","","0.177","0.1302","","","0.3042","0.3356","","","","","","1.045","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102672","8.6183","0.0003","18.135","0.0007","24.038","0.001","90","","90","","90","","3757","0.3","120","","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36.57 H36.28 Cl F6 N4 O4.57 S -","- C36.571 H36.284 Cl F6 N4 O4.571 S -","- C146.284 H145.136 Cl4 F24 N16 O18.284 S4 -","4","1","","Ravi P. Singh; Bruce M. Foxman; Li Deng","Asymmetric Vinylogous Aldol Reaction of Silyloxy Furans with a Chiral Organic Salt","Journal of the American Chemical Society","2010","132","","9558","9560","10.1021/ja103331t","","","0.71073","MoKα","","0.0911","0.0482","","0.1057","0.0911","0.1057","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102673","5.3946","0.0004","7.6287","0.0005","12.9305","0.0008","90","","91.456","0.003","90","","531.97","0.06","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Br O3 -","- C11 H9 Br O3 -","- C22 H18 Br2 O6 -","2","1","","Ravi P. Singh; Bruce M. Foxman; Li Deng","Asymmetric Vinylogous Aldol Reaction of Silyloxy Furans with a Chiral Organic Salt","Journal of the American Chemical Society","2010","132","","9558","9560","10.1021/ja103331t","","","0.71073","MoKα","","0.0164","0.0157","","0.04","0.0391","0.04","","","","","","1.0342","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102674","27.0052","0.0016","16.597","0.001","15.9655","0.001","90","","90.324","0.002","90","","7155.7","0.8","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H34 Cl N5 O10 -","- C39 H33 Cl N5 O10 -","- C312 H264 Cl8 N40 O80 -","8","2","","Bo Qin; Changliang Ren; Ruijuan Ye; Chang Sun; Khalid Chiad; Xiuying Chen; Zhao Li; Feng Xue; Haibin Su; Gregory A. Chass; Huaqiang Zeng","Persistently Folded Circular Aromatic Amide Pentamers Containing Modularly Tunable Cation-Binding Cavities with High Ion Selectivity","Journal of the American Chemical Society","2010","132","","9564","9566","10.1021/ja1035804","","","0.71073","MoKα","","0.1601","0.0824","","","0.2038","0.2445","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102675","11.6218","0.0011","11.9587","0.0011","45.248","0.004","90","","95.406","0.002","90","","6260.7","1","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H83 K N6 O15 -","- C60 H79 K N6 O15 -","- C240 H316 K4 N24 O60 -","4","1","","Bo Qin; Changliang Ren; Ruijuan Ye; Chang Sun; Khalid Chiad; Xiuying Chen; Zhao Li; Feng Xue; Haibin Su; Gregory A. Chass; Huaqiang Zeng","Persistently Folded Circular Aromatic Amide Pentamers Containing Modularly Tunable Cation-Binding Cavities with High Ion Selectivity","Journal of the American Chemical Society","2010","132","","9564","9566","10.1021/ja1035804","","","0.71073","MoKα","","0.1941","0.131","","","0.2694","0.304","","","","","","1.089","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102676","18.379","0.003","18.199","0.003","22.994","0.004","90","","112.896","0.003","90","","7085","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69.5 H99 B0 Cs N6 O14.5 -","- C69.5 H96 Cs N6 O14.5 -","- C278 H384 Cs4 N24 O58 -","4","1","","Bo Qin; Changliang Ren; Ruijuan Ye; Chang Sun; Khalid Chiad; Xiuying Chen; Zhao Li; Feng Xue; Haibin Su; Gregory A. Chass; Huaqiang Zeng","Persistently Folded Circular Aromatic Amide Pentamers Containing Modularly Tunable Cation-Binding Cavities with High Ion Selectivity","Journal of the American Chemical Society","2010","132","","9564","9566","10.1021/ja1035804","","","0.71073","MoKα","","0.1701","0.0967","","","0.2374","0.2854","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102677","9.661","0.004","13.796","0.005","19.08","0.007","96.296","0.005","94.822","0.003","107.981","0.006","2385.5","1.6","113","2","113","2","","","","","","","","9","P -1","-P 1","2","","","","- C47 H38 B Cl3 Cu F4 N3 O P2 -","- C47 H38 B Cl3 Cu F4 N3 O P2 -","- C94 H76 B2 Cl6 Cu2 F8 N6 O2 P4 -","2","1","","Michihiro Nishikawa; Kuniharu Nomoto; Shoko Kume; Keiichi Inoue; Makoto Sakai; Masaaki Fujii; Hiroshi Nishihara","Dual Emission Caused by Ring Inversion Isomerization of a 4-Methyl-2-pyridyl-pyrimidine Copper(I) Complex","Journal of the American Chemical Society","2010","132","","9579","9581","10.1021/ja103718e","","","0.7107","MoKα","","","0.094","","","","0.2827","","","","","","1.039","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102678","14.3648","0.0008","10.2095","0.0003","25.0281","0.0012","90","","100.934","0.002","90","","3603.9","0.3","153.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H37 Cl Ir N O P2 -","- C44 H37 Cl Ir N O P2 -","- C176 H148 Cl4 Ir4 N4 O4 P8 -","4","1","","Tomohiro Iwai; Tetsuaki Fujihara; Jun Terao; Yasushi Tsuji","Iridium-Catalyzed Annulation of N-Arylcarbamoyl Chlorides with Internal Alkynes","Journal of the American Chemical Society","2010","132","","9602","9603","10.1021/ja104153k","","","0.7107","MoKα","","","0.0327","","","","0.0645","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102679","9.335","0.005","9.749","0.005","10.565","0.005","65.996","0.019","67.2","0.02","79.05","0.02","809.1","0.7","153.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 N O -","- C22 H17 N O -","- C44 H34 N2 O2 -","2","1","","Tomohiro Iwai; Tetsuaki Fujihara; Jun Terao; Yasushi Tsuji","Iridium-Catalyzed Annulation of N-Arylcarbamoyl Chlorides with Internal Alkynes","Journal of the American Chemical Society","2010","132","","9602","9603","10.1021/ja104153k","","","0.7107","MoKα","","","0.0656","","","","0.1732","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102680","9.177","0.002","9.864","0.002","12.207","0.003","90","","104.397","0.003","90","","1070.3","0.4","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H39 N O3 -","- C21 H39 N O3 -","- C42 H78 N2 O6 -","2","1","","Matthew A. Perry; Matthew D. Morin; Brian W. Slafer; Scott A. Wolckenhauer; Scott D. Rychnovsky","Fully Substituted Carbon Centers by Diastereoselective Spirocyclization: Stereoselective Synthesis of (+)-Lepadiformine C","Journal of the American Chemical Society","2010","132","","9591","9593","10.1021/ja104250b","","","0.71073","MoKα","","0.0614","0.0535","","","0.142","0.1513","","","","","","1.044","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102681","12.5919","0.0003","12.5919","0.0003","8.2015","0.0002","90","","90","","120","","1126.18","0.05","110","","110","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 N O6 Zn -","- C3 H7 N O6 Zn -","- C18 H42 N6 O36 Zn6 -","6","1","","Guan-Cheng Xu; Xiao-Ming Ma; Li Zhang; Zhe-Ming Wang; Song Gao","Disorder-Order Ferroelectric Transition in the Metal Formate Framework of [NH4][Zn(HCOO)3]","Journal of the American Chemical Society","2010","132","","9588","9590","10.1021/ja104263m","","","0.71073","MoKα","","0.0729","0.0306","","","0.076","0.0855","","","","","","0.907","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102682","7.3084","0.0002","7.3084","0.0002","8.1705","0.0003","90","","90","","120","","377.94","0.02","290","2","290","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H7.02 N O6 Zn -","- C6 H14.04 N2 O12 Zn2 -","2","0.166667","","Guan-Cheng Xu; Xiao-Ming Ma; Li Zhang; Zhe-Ming Wang; Song Gao","Disorder-Order Ferroelectric Transition in the Metal Formate Framework of [NH4][Zn(HCOO)3]","Journal of the American Chemical Society","2010","132","","9588","9590","10.1021/ja104263m","","","0.71073","MoKα","","0.022","0.0191","","","0.0444","0.0453","","","","","","1.08","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102683","8.3421","0.0005","8.7999","0.0005","22.1725","0.0012","90","","90","","90","","1627.68","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N2 O -","- C19 H28 N2 O -","- C76 H112 N8 O4 -","4","1","","Brian B. Liau; Matthew D. Shair","Total Synthesis of (+)-Fastigiatine","Journal of the American Chemical Society","2010","132","","9594","9595","10.1021/ja104575h","","","0.71073","MoKα","","0.0366","0.0356","","","0.0929","0.0938","","","","","","1.059","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102684","8.6005","0.0009","11.1107","0.0009","17.6351","0.0014","93.141","0.005","94.58","0.005","111.857","0.005","1552.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H2 B F25 -","- C34 H2 B F25 -","- C68 H4 B2 F50 -","2","1","","Cheng Fan; Lauren G. Mercier; Warren E. Piers; Heikki M. Tuononen; Masood Parvez","Dihydrogen Activation by Antiaromatic Pentaarylboroles","Journal of the American Chemical Society","2010","132","","9604","9606","10.1021/ja105075h","","","1.54178","CuKα","","0.0626","0.0572","","","0.1704","0.1732","","","","","","1.102","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102685","10.1608","0.0001","11.1669","0.0001","34.7339","0.0005","90","","90","","90","","3941.07","0.08","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H7 B Cl2 D2 F25 N -","- C40 H9 B Cl2 F25 N -","- C160 H36 B4 Cl8 F100 N4 -","4","1","","Cheng Fan; Lauren G. Mercier; Warren E. Piers; Heikki M. Tuononen; Masood Parvez","Dihydrogen Activation by Antiaromatic Pentaarylboroles","Journal of the American Chemical Society","2010","132","","9604","9606","10.1021/ja105075h","","","0.71073","MoKα","","0.0383","0.0374","","","0.1065","0.1079","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102686","12.052","0.007","10.973","0.005","8.45","0.004","90","","110.181","0.006","90","","1048.9","0.9","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","","Yandong Zhang; Samuel J. Danishefsky","Total Synthesis of (\±)-Aplykurodinone-1: Traceless Stereochemical Guidance","Journal of the American Chemical Society","2010","132","","9928","9928","10.1021/ja105280j","","","0.71073","MoKα","","0.1436","0.0698","","","0.1607","0.2051","","","","","","1.074","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102687","9.9972","0.0006","6.5178","0.0004","35.853","0.002","90","","92.265","0.001","90","","2334.3","0.2","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H40 O4 Si -","- C23 H40 O4 Si -","- C92 H160 O16 Si4 -","4","1","","Yandong Zhang; Samuel J. Danishefsky","Total Synthesis of (\±)-Aplykurodinone-1: Traceless Stereochemical Guidance","Journal of the American Chemical Society","2010","132","","9928","9928","10.1021/ja105280j","","","0.71073","MoKα","","0.0848","0.0482","","","0.1057","0.1216","","","","","","1","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102688","10.946","0.0016","15.7","0.002","10.6744","0.0016","90","","112.131","0.002","90","","1699.3","0.4","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Yandong Zhang; Samuel J. Danishefsky","Total Synthesis of (\±)-Aplykurodinone-1: Traceless Stereochemical Guidance","Journal of the American Chemical Society","2010","132","","9928","9928","10.1021/ja105280j","","","0.71073","MoKα","","0.0852","0.0499","","","0.1161","0.1323","","","","","","1.031","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102689","13.9335","0.0014","6.1672","0.0006","21.725","0.002","90","","95.724","0.002","90","","1857.5","0.3","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N2 O5 S -","- C19 H24 N2 O5 S -","- C76 H96 N8 O20 S4 -","4","1","","Yandong Zhang; Samuel J. Danishefsky","Total Synthesis of (\±)-Aplykurodinone-1: Traceless Stereochemical Guidance","Journal of the American Chemical Society","2010","132","","9928","9928","10.1021/ja105280j","","","0.71073","MoKα","","0.0738","0.0437","","","0.0953","0.1079","","","","","","1.016","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102690","9.304","0.006","24.02","0.015","27.949","0.018","90","","90","","90","","6246","7","283","2","283","2","","","","","","","","6","P c 21 b","P -2bc -2c","29","","","","- C61 H77 Br2 Fe N P2 -","- C61 H77 Br2 Fe N P2 -","- C244 H308 Br8 Fe4 N4 P8 -","4","1","","Yumiko Nakajima; Yoshihide Nakao; Shigeyoshi Sakaki; Yoshinori Tamada; Teruo Ono; Fumiyuki Ozawa","Electronic Structure of Four-Coordinate Iron(I) Complex Supported by a Bis(phosphaethenyl)pyridine Ligand","Journal of the American Chemical Society","2010","132","","9934","9936","10.1021/ja102009n","","","0.7107","MoKα","","0.2277","0.1064","","","0.2273","0.2968","","","","","","0.947","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102691","10.8824","0.0002","21.4579","0.0005","24.1065","0.0006","90","","90","","90","","5629.2","0.2","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C59 H81 Br Fe N O P2 -","- C59 H81 Br Fe N O P2 -","- C236 H324 Br4 Fe4 N4 O4 P8 -","4","1","","Yumiko Nakajima; Yoshihide Nakao; Shigeyoshi Sakaki; Yoshinori Tamada; Teruo Ono; Fumiyuki Ozawa","Electronic Structure of Four-Coordinate Iron(I) Complex Supported by a Bis(phosphaethenyl)pyridine Ligand","Journal of the American Chemical Society","2010","132","","9934","9936","10.1021/ja102009n","","","0.71069","MoKα","","0.1165","0.0615","","","0.1008","0.1179","","","","","","1.01","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102692","10.5113","0.0008","18.911","0.0019","25.711","0.002","90","","92.062","0.002","90","","5107.5","0.8","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H63 B N2 Ni O P2 -","- C58 H63 B N2 Ni O P2 -","- C232 H252 B4 N8 Ni4 O4 P8 -","4","1","","Yasuhiro Hirata; Akira Yada; Eiji Morita; Yoshiaki Nakao; Tamejiro Hiyama; Masato Ohashi; Sensuke Ogoshi","Nickel/Lewis Acid-Catalyzed Cyanoesterification and Cyanocarbamoylation of Alkynes","Journal of the American Chemical Society","2010","132","","10070","10077","10.1021/ja102346v","","","0.71075","MoKα","","0.0838","0.0425","","","0.0834","0.1039","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102693","28.054","0.002","15.6168","0.0011","22.3246","0.0016","90","","108.859","0.001","90","","9255.7","1.1","85","2","85","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H40 I10 O15 Si10 -","- C60 H40 I10 O15 Si10 -","- C240 H160 I40 O60 Si40 -","4","0.5","","M. F. Roll; J. W. Kampf; Y. Kim; E. Yi; R. M. Laine","Nano Building Blocks via Iodination of [PhSiO1.5]n, Forming [p-I-C6H4SiO1.5]n (n = 8, 10, 12), and a New Route to High-Surface-Area, Thermally Stable, Microporous Materials via Thermal Elimination of I2","Journal of the American Chemical Society","2010","132","","10171","10183","10.1021/ja102453s","","","0.71073","MoKα","","0.0492","0.0461","","","0.1152","0.117","","","","","","1.058","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102694","32.082","0.009","14.704","0.004","28.755","0.008","90","","118.438","0.004","90","","11928","6","85","2","85","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C104 H88 I12 O18 Si12 -","- C104 H88 I12 O18 Si12 -","- C416 H352 I48 O72 Si48 -","4","0.5","","M. F. Roll; J. W. Kampf; Y. Kim; E. Yi; R. M. Laine","Nano Building Blocks via Iodination of [PhSiO1.5]n, Forming [p-I-C6H4SiO1.5]n (n = 8, 10, 12), and a New Route to High-Surface-Area, Thermally Stable, Microporous Materials via Thermal Elimination of I2","Journal of the American Chemical Society","2010","132","","10171","10183","10.1021/ja102453s","","","0.71073","MoKα","","0.1064","0.0919","","","0.2732","0.2885","","","","","","1.093","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102695","12.5377","0.0009","24.6836","0.0017","35.061","0.002","72.706","0.0001","80.434","0.0001","81.395","0.0001","10157.9","1.2","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","","","- C67 H58 O15 Si10 -","- C67 H58 O15 Si10 -","- C402 H348 O90 Si60 -","6","3","","M. F. Roll; J. W. Kampf; Y. Kim; E. Yi; R. M. Laine","Nano Building Blocks via Iodination of [PhSiO1.5]n, Forming [p-I-C6H4SiO1.5]n (n = 8, 10, 12), and a New Route to High-Surface-Area, Thermally Stable, Microporous Materials via Thermal Elimination of I2","Journal of the American Chemical Society","2010","132","","10171","10183","10.1021/ja102453s","","","0.71073","MoKα","","0.0561","0.0411","","","0.1001","0.1094","","","","","","1.014","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102696","17.158","0.002","18.8062","0.0018","20.0326","0.0019","74.075","0.003","89.79","0.004","71.856","0.003","5883.2","1.1","93.1","","93.1","","","","","","","","","7","P -1","-P 1","2","","","","- C204 H146 F24 N30 O34 Pd2 S4 -","- C204 H142 F24 N30 O34 Pd2 S4 -","- C204 H142 F24 N30 O34 Pd2 S4 -","1","0.5","","Guido H. Clever; Shohei Tashiro; Mitsuhiko Shionoya","Light-Triggered Crystallization of a Molecular Host-Guest Complex","Journal of the American Chemical Society","2010","132","","9973","9975","10.1021/ja103620z","","","0.71075","MoKα","","","0.1794","","","","0.4945","","","","","","1.269","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102697","15.3688","0.0005","23.8539","0.001","24.8502","0.001","90","","90","","90","","9110.2","0.6","123.1","","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C119 H84 Cl2 Fe2 N6 O4 -","- C119 H84 Cl2 Fe2 N6 O4 -","- C476 H336 Cl8 Fe8 N24 O16 -","4","1","","Tatsuhiko Honda; Tatsuaki Nakanishi; Kei Ohkubo; Takahiko Kojima; Shunichi Fukuzumi","Structure and Photoinduced Electron Transfer Dynamics of a Series of Hydrogen-Bonded Supramolecular Complexes Composed of Electron Donors and a Saddle-Distorted Diprotonated Porphyrin","Journal of the American Chemical Society","2010","132","","10155","10163","10.1021/ja103889f","","","0.7107","MoKα","","","0.0693","","","","0.1922","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102698","20.81","0.004","9.6243","0.0019","33.923","0.007","90","","104.28","0.03","90","","6584","2","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H40 F6 N2 Si -","- C35 H40 F6 N2 Si -","- C280 H320 F48 N16 Si8 -","8","1","","Anukul Jana; Prinson P. Samuel; Gašper Tavčar; Herbert W. Roesky; Carola Schulzke","Selective Aromatic C-F and C-H Bond Activation with Silylenes of Different Coordinate Silicon","Journal of the American Chemical Society","2010","132","","10164","10170","10.1021/ja103988d","","","0.71073","MoKα","","0.0515","0.035","","","0.0772","0.0818","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102699","9.785","0.002","9.976","0.002","13.842","0.003","89.57","0.03","82.58","0.03","89.18","0.03","1339.7","0.5","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 Cl F8 N2 Si -","- C22 H23 Cl F8 N2 Si -","- C44 H46 Cl2 F16 N4 Si2 -","2","1","","Anukul Jana; Prinson P. Samuel; Gašper Tavčar; Herbert W. Roesky; Carola Schulzke","Selective Aromatic C-F and C-H Bond Activation with Silylenes of Different Coordinate Silicon","Journal of the American Chemical Society","2010","132","","10164","10170","10.1021/ja103988d","","","0.71073","MoKα","","0.1125","0.0832","","","0.221","0.2396","","","","","","1.038","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102700","9.832","0.002","10.142","0.002","14.53","0.003","88.37","0.03","88.69","0.03","71.03","0.03","1369.5","0.5","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H31 Cl F5 N3 Si -","- C27 H31 Cl F5 N3 Si -","- C54 H62 Cl2 F10 N6 Si2 -","2","1","","Anukul Jana; Prinson P. Samuel; Gašper Tavčar; Herbert W. Roesky; Carola Schulzke","Selective Aromatic C-F and C-H Bond Activation with Silylenes of Different Coordinate Silicon","Journal of the American Chemical Society","2010","132","","10164","10170","10.1021/ja103988d","","","0.71073","MoKα","","0.0803","0.055","","","0.1416","0.1493","","","","","","1.065","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102701","9.5252","0.0019","17.166","0.003","10.174","0.002","90","","93.36","0.03","90","","1660.7","0.6","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H41 F5 N2 Si -","- C35 H41 F5 N2 Si -","- C70 H82 F10 N4 Si2 -","2","1","","Anukul Jana; Prinson P. Samuel; Gašper Tavčar; Herbert W. Roesky; Carola Schulzke","Selective Aromatic C-F and C-H Bond Activation with Silylenes of Different Coordinate Silicon","Journal of the American Chemical Society","2010","132","","10164","10170","10.1021/ja103988d","","","0.71073","MoKα","","0.0482","0.0432","","","0.1062","0.1087","","","","","","1.072","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102702","3.8197","0.0001","3.8197","0.0001","6.2587","0.0002","90","","90","","90","","91.315","0.004","250","2","250","2","","","","","","","","2","P 4/n m m :2","-P 4a 2a","129","Iron Telluride","Iron Telluride","","- Fe1.12 Te -","- Fe1.119 Te -","- Fe2.238 Te2 -","2","0.125","","Efrain E. Rodriguez; Peter Zavalij; Ping-Yen Hsieh; Mark A. Green","Iodine as an Oxidant in the Topotactic Deintercalation of Interstitial Iron in Fe1+xTe","Journal of the American Chemical Society","2010","132","","10006","10008","10.1021/ja104004t","","","0.71073","MoKα","","0.0092","0.0092","","","0.0217","0.0217","","","","","","1.001","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102703","3.8139","0.0003","3.8139","0.0003","6.2631","0.0009","90","","90","","90","","91.102","0.017","250","2","250","2","","","","","","","","2","P 4/n m m :2","-P 4a 2a","129","Iron telluride","Iron telluride","","- Fe1.095 Te -","- Fe1.095 Te -","- Fe2.19 Te2 -","2","0.125","","Efrain E. Rodriguez; Peter Zavalij; Ping-Yen Hsieh; Mark A. Green","Iodine as an Oxidant in the Topotactic Deintercalation of Interstitial Iron in Fe1+xTe","Journal of the American Chemical Society","2010","132","","10006","10008","10.1021/ja104004t","","","0.71073","MoKα","","0.0117","0.0117","","","0.0258","0.0258","","","","","","1","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102704","32.472","0.002","6.2695","0.0007","36.429","0.002","90","","95.889","0.002","90","","7377.2","1","153","2","153","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C39 H36 Ag Cl N2 S4 -","- C39 H36 Ag Cl N2 S4 -","- C312 H288 Ag8 Cl8 N16 S32 -","8","1","","Adam B. Powell; Christopher W. Bielawski; Alan H. Cowley","Design, Synthesis, and Study of Main Chain Poly(N-Heterocyclic Carbene) Complexes: Applications in Electrochromic Devices","Journal of the American Chemical Society","2010","132","","10184","10194","10.1021/ja104051x","","","0.71069","MoKα","","0.1067","0.0593","","","0.1258","0.1431","","","","","","1.226","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102705","11.495","0.003","13.381","0.003","14.703","0.004","103.717","0.005","92.327","0.006","101.007","0.006","2147.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H47 Ag N2 O3 S4 -","- C41 H39 Ag N2 O2 S4 -","- C82 H78 Ag2 N4 O4 S8 -","2","1","","Adam B. Powell; Christopher W. Bielawski; Alan H. Cowley","Design, Synthesis, and Study of Main Chain Poly(N-Heterocyclic Carbene) Complexes: Applications in Electrochromic Devices","Journal of the American Chemical Society","2010","132","","10184","10194","10.1021/ja104051x","","","0.71069","MoKα","","0.0983","0.0756","","","0.1838","0.1986","","","","","","1.16","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102706","14.114","0.003","26.755","0.006","10.005","0.002","90","","107.286","0.006","90","","3607.4","1.3","233","2","233","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 N2 S5 -","- C39 H36 N2 S5 -","- C156 H144 N8 S20 -","4","1","","Adam B. Powell; Christopher W. Bielawski; Alan H. Cowley","Design, Synthesis, and Study of Main Chain Poly(N-Heterocyclic Carbene) Complexes: Applications in Electrochromic Devices","Journal of the American Chemical Society","2010","132","","10184","10194","10.1021/ja104051x","","","0.71069","MoKα","","0.1361","0.0678","","","0.1364","0.1622","","","","","","1.098","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102707","11.4299","0.0009","12.082","0.001","15.5","0.0013","106.613","0.001","100.313","0.002","90.68","0.002","2013.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H59 Cl2 N3 Si -","- C44 H59 Cl2 N3 Si -","- C88 H118 Cl4 N6 Si2 -","2","1","","Rajendra S. Ghadwal; Herbert W. Roesky; Markus Granitzka; Dietmar Stalke","A Facile Route to Functionalized N-Heterocyclic Carbenes (NHCs) with NHC Base-Stabilized Dichlorosilylene","Journal of the American Chemical Society","2010","132","","10018","10020","10.1021/ja104386g","","","0.71073","MoKα","","0.0538","0.0378","","","0.0843","0.0918","","","","","","1.018","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102708","11.9004","0.0015","15.3835","0.0019","15.9396","0.0019","76.172","0.002","73.774","0.002","69.913","0.002","2598.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57.5 H77.25 Cl2 N6 Si -","- C57.5 H77.16 Cl2 N6 Si -","- C115 H154.32 Cl4 N12 Si2 -","2","1","","Rajendra S. Ghadwal; Herbert W. Roesky; Markus Granitzka; Dietmar Stalke","A Facile Route to Functionalized N-Heterocyclic Carbenes (NHCs) with NHC Base-Stabilized Dichlorosilylene","Journal of the American Chemical Society","2010","132","","10018","10020","10.1021/ja104386g","","","0.71073","MoKα","","0.1069","0.0615","","","0.1409","0.1631","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102709","7.794","0.003","21.889","0.007","8.579","0.003","90","","92.618","0.006","90","","1462.1","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 B10 O -","- C9 H18 B10 O -","- C36 H72 B40 O4 -","4","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes","Journal of the American Chemical Society","2010","132","","9988","9989","10.1021/ja1044488","","","0.71073","MoKα","","0.0824","0.0589","","","0.1653","0.1903","","","","","","1.078","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102710","7.8439","0.0007","9.9497","0.0009","11.2367","0.0011","101.613","0.002","108.27","0.002","100.565","0.002","786.55","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C20 H40 B20 O2 -","2","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes","Journal of the American Chemical Society","2010","132","","9988","9989","10.1021/ja1044488","","","0.71073","MoKα","","0.0495","0.0453","","","0.1289","0.1341","","","","","","1.066","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102711","6.9769","0.0002","12.9283","0.0004","17.4054","0.0005","90","","94.134","0.001","90","","1565.87","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C40 H80 B40 O4 -","4","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes","Journal of the American Chemical Society","2010","132","","9988","9989","10.1021/ja1044488","","","0.71073","MoKα","","0.0555","0.0486","","","0.1501","0.1651","","","","","","1.07","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102712","14.6074","0.0011","18.193","0.0014","14.4027","0.001","90","","97.537","0.001","90","","3794.5","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H26 B10 O -","- C13 H26 B10 O -","- C104 H208 B80 O8 -","8","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes","Journal of the American Chemical Society","2010","132","","9988","9989","10.1021/ja1044488","","","0.71073","MoKα","","0.0842","0.0618","","","0.1779","0.2061","","","","","","1.023","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102713","9.776","0.002","12.704","0.003","21.986","0.005","90","","90","","90","","2730.5","1.1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H18 B10 -","- C9 H18 B10 -","- C72 H144 B80 -","8","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes","Journal of the American Chemical Society","2010","132","","9988","9989","10.1021/ja1044488","","","0.71073","MoKα","","0.0902","0.0636","","","0.1623","0.191","","","","","","1.039","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102714","6.9669","0.0003","12.1166","0.0006","9.4462","0.0004","90","","90.395","0.001","90","","797.38","0.06","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C11 H22 B10 O -","- C11 H22 B10 O -","- C22 H44 B20 O2 -","2","0.5","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes","Journal of the American Chemical Society","2010","132","","9988","9989","10.1021/ja1044488","","","0.71073","MoKα","","0.0627","0.0525","","","0.1544","0.1662","","","","","","1.044","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102715","32.546","0.003","6.9766","0.0006","11.6982","0.001","90","","90","","90","","2656.2","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H16 B10 O -","- C8 H16 B10 O -","- C64 H128 B80 O8 -","8","2","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes","Journal of the American Chemical Society","2010","132","","9988","9989","10.1021/ja1044488","","","0.71073","MoKα","","0.1238","0.087","","","0.2239","0.2611","","","","","","1.027","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102716","18.488","0.002","6.9305","0.0007","22.339","0.003","90","","91.126","0.002","90","","2861.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 B10 O -","- C9 H18 B10 O -","- C72 H144 B80 O8 -","8","2","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes","Journal of the American Chemical Society","2010","132","","9988","9989","10.1021/ja1044488","","","0.71073","MoKα","","0.0933","0.0851","","","0.2574","0.265","","","","","","1.117","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102717","10.9774","0.0004","19.1174","0.0006","27.1633","0.001","90","","90","","90","","5700.5","0.3","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","2.2MeOH.Et2O","Bis{η^3^-μ~3~-1,3-bis[(2-pyridyl-1κN)methyl]- 1<i>H</i>-imidazol-2-ylidene-2κC}bis(methanol-1κO)dicopper(I) gold(I) 2(<i>Au</i>—<i>Cu</i>) tris(hexafluorophosphate) methanol disolvate (diethyl ether) disolvate","","- C42 H64 Au Cu2 F18 N8 O6 P3 -","- C42 H64 Au Cu2 F18 N8 O6 P3 -","- C168 H256 Au4 Cu8 F72 N32 O24 P12 -","4","0.5","","Christoph E. Strasser; Vincent J. Catalano","""On-Off"" Au(I)...Cu(I) Interactions in a Au(NHC)2 Luminescent Vapochromic Sensor","Journal of the American Chemical Society","2010","132","","10009","10011","10.1021/ja104585q","","","0.71073","MoKα","","0.072","0.0388","","","0.082","0.0964","","","","","","1.03","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102718","11.9958","0.0002","19.8135","0.0005","12.3023","0.0002","90","","106.354","0.001","90","","2805.69","0.1","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","1.2AN","Tetrakis(acetonitrile-1κN)bis{η^3^-μ~3~-1,3-bis[(2-pyridyl-1κN)methyl]- 1<i>H</i>-imidazol-2-ylidene-2κC}dicopper(I) gold(I) tris(hexafluorophosphate) acetonitrile disolvate","","- C42 H46 Au Cu2 F18 N14 P3 -","- C42 H46 Au Cu2 F18 N14 P3 -","- C84 H92 Au2 Cu4 F36 N28 P6 -","2","0.5","","Christoph E. Strasser; Vincent J. Catalano","""On-Off"" Au(I)...Cu(I) Interactions in a Au(NHC)2 Luminescent Vapochromic Sensor","Journal of the American Chemical Society","2010","132","","10009","10011","10.1021/ja104585q","","","0.71073","MoKα","","0.0565","0.041","","","0.1023","0.1104","","","","","","1.04","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102719","11.59","0.002","11.98","0.002","15.519","0.003","68.36","0.003","70.878","0.003","73.439","0.003","1859","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(Ar[Np]N)2(k2-CH2CMe2CH2NAr)TaH","","","- C39 H60 N3 Ta -","- C39 H60 N3 Ta -","- C78 H120 N6 Ta2 -","2","1","","Matthew A. Rankin; Christopher C. Cummins","Carbon Dioxide Reduction by Terminal Tantalum Hydrides: Formation and Isolation of Bridging Methylene Diolate Complexes","Journal of the American Chemical Society","2010","132","","10021","10023","10.1021/ja104761n","","","0.71073","MoKα","","0.0402","0.0331","","","0.0763","0.0795","","","","","","1.044","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102720","11.032","0.0008","11.1702","0.0008","17.121","0.0012","79.09","0.001","85.127","0.001","66.34","0.001","1897.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(Ar[Np]N)2(eta2-tBuC(H)NAr)TaH","","","- C39 H60 N3 Ta -","- C39 H60 N3 Ta -","- C78 H120 N6 Ta2 -","2","1","","Matthew A. Rankin; Christopher C. Cummins","Carbon Dioxide Reduction by Terminal Tantalum Hydrides: Formation and Isolation of Bridging Methylene Diolate Complexes","Journal of the American Chemical Society","2010","132","","10021","10023","10.1021/ja104761n","","","0.71073","MoKα","","0.0207","0.0192","","","0.0469","0.0477","","","","","","1.068","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102721","18.7446","0.0014","38.429","0.003","12.6441","0.0009","90","","104.354","0.001","90","","8823.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Ar[Np]N)2(tBuC(H)NAr)TaOCH2OTi(N[tBu]Ar)3","","","- C88.5 H145 N6 O2 Ta Ti -","- C78.5 H121 N6 O2 Ta Ti -","- C314 H484 N24 O8 Ta4 Ti4 -","4","1","","Matthew A. Rankin; Christopher C. Cummins","Carbon Dioxide Reduction by Terminal Tantalum Hydrides: Formation and Isolation of Bridging Methylene Diolate Complexes","Journal of the American Chemical Society","2010","132","","10021","10023","10.1021/ja104761n","","","0.71073","MoKα","","0.0597","0.05","","","0.1097","0.1129","","","","","","1.174","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102722","11.568","0.004","11.803","0.004","16.103","0.005","70.272","0.005","69.376","0.005","73.329","0.005","1901.4","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[(Ar[Np]N)2(k2-CH2C(Me)2CH2NAr)Ta]2(OCH2O)","","","- C79 H120 N6 O2 Ta2 -","- C79 H120 N6 O2 Ta2 -","- C79 H120 N6 O2 Ta2 -","1","0.5","","Matthew A. Rankin; Christopher C. Cummins","Carbon Dioxide Reduction by Terminal Tantalum Hydrides: Formation and Isolation of Bridging Methylene Diolate Complexes","Journal of the American Chemical Society","2010","132","","10021","10023","10.1021/ja104761n","","","0.71073","MoKα","","0.0854","0.0613","","","0.1438","0.1587","","","","","","1.016","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102723","10.7775","0.0012","13.8137","0.0015","15.7172","0.0017","86.206","0.002","72.564","0.002","77.292","0.002","2177.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(Ar[CH2tBu]N)2(C(H)tBuNAr)TaOC(H)NtBu","","","- C44 H69 N4 O Ta -","- C44 H69 N4 O Ta -","- C88 H138 N8 O2 Ta2 -","2","1","","Matthew A. Rankin; Christopher C. Cummins","Carbon Dioxide Reduction by Terminal Tantalum Hydrides: Formation and Isolation of Bridging Methylene Diolate Complexes","Journal of the American Chemical Society","2010","132","","10021","10023","10.1021/ja104761n","","","0.71073","MoKα","","0.0284","0.024","","","0.0549","0.0574","","","","","","1.053","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102724","15.3854","0.001","16.3025","0.0011","19.3888","0.0013","105.013","0.001","104.938","0.001","100.622","0.001","4371","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(Ar[CH2tBu]N)2(eta2-ArNCHtBu)TaOCH2OtBu","","","- C44 H70 N3 O2 Ta -","- C44 H70 N3 O2 Ta -","- C176 H280 N12 O8 Ta4 -","4","2","","Matthew A. Rankin; Christopher C. Cummins","Carbon Dioxide Reduction by Terminal Tantalum Hydrides: Formation and Isolation of Bridging Methylene Diolate Complexes","Journal of the American Chemical Society","2010","132","","10021","10023","10.1021/ja104761n","","","0.71073","MoKα","","0.0748","0.0426","","","0.0781","0.0919","","","","","","1.031","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102725","15.6211","0.0015","16.9965","0.0016","18.8231","0.0017","98.56","0.002","108.486","0.002","95.273","0.002","4635.1","0.8","153","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C94.5 H88 Cl8 F6 N8 O1.5 P Ru -","- C94.576 H92 Cl7.848 F6 N8 O1.576 P Ru -","- C189.152 H184 Cl15.696 F12 N16 O3.152 P2 Ru2 -","2","1","","Shigeru Yamaguchi; Hiroshi Shinokubo; Atsuhiro Osuka","η2-Porphyrin Ru(II) π Complexes","Journal of the American Chemical Society","2010","132","","9992","9993","10.1021/ja104842h","","","0.71073","MoKα","","0.0931","0.0814","","","0.232","0.2459","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102726","16.015","0.005","16.55","0.005","20.775","0.005","66.592","0.005","71.642","0.005","75.795","0.005","4750","2","90","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C99 H108 Cl3 N7 O4 Ru -","- C99 H108 Cl3 N7 O4 Ru -","- C198 H216 Cl6 N14 O8 Ru2 -","2","1","","Shigeru Yamaguchi; Hiroshi Shinokubo; Atsuhiro Osuka","η2-Porphyrin Ru(II) π Complexes","Journal of the American Chemical Society","2010","132","","9992","9993","10.1021/ja104842h","","","0.71069","MoKα","","0.117","0.0902","","","0.2264","0.2467","","","","","","1.113","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102727","26.376","0.003","7.7075","0.0008","19.705","0.002","90","","99.155","0.002","90","","3954.9","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Fe2 S -","- C24 H22 Fe2 S -","- C192 H176 Fe16 S8 -","8","1","","Yu Li; Mira Josowicz; Laren M. Tolbert","Diferrocenyl Molecular Wires. The Role of Heteroatom Linkers","Journal of the American Chemical Society","2010","132","","10374","10382","10.1021/ja101585z","","","0.71073","MoKα","","0.044","0.0367","","","0.0881","0.0925","","","","","","1.044","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102728","7.519","0.003","23.234","0.009","28.731","0.011","90","","90","","90","","5019","3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 Fe2 P S -","- C30 H27 Fe2 P S -","- C240 H216 Fe16 P8 S8 -","8","2","","Yu Li; Mira Josowicz; Laren M. Tolbert","Diferrocenyl Molecular Wires. The Role of Heteroatom Linkers","Journal of the American Chemical Society","2010","132","","10374","10382","10.1021/ja101585z","","","0.71073","MoKα","","0.1073","0.0943","","","0.2066","0.2146","","","","","","1.041","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102729","4.755","0.0013","36.91","0.01","7.954","0.002","90","0.004","105.846","0.004","90","0.004","1342.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","C6-BDTEs","C6-BDTEs","","- C28 H30 N2 O4 S2 -","- C28 H30 N2 O4 S2 -","- C56 H60 N4 O8 S4 -","2","0.5","","Yuki Suzuki; Eigo Miyazaki; Kazuo Takimiya","((Alkyloxy)carbonyl)cyanomethylene-Substituted Thienoquinoidal Compounds: a New Class of Soluble n-Channel Organic Semiconductors for Air-Stable Organic Field-Effect Transistors","Journal of the American Chemical Society","2010","132","","10453","10466","10.1021/ja103171y","","","0.7107","MoKα","","0.1328","0.0816","","","0.2061","0.2409","","","","","","0.998","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102730","19.87","0.005","15.248","0.005","15.184","0.005","90","0.005","106.185","0.005","90","0.005","4418","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H50 F12 N6 P2 -","- C45 H50 F12 N6 P2 -","- C180 H200 F48 N24 P8 -","4","0.5","","Benjamin J. Coe; John Fielden; Simon P. Foxon; James A. Harris; Madeleine Helliwell; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Javier Garín; Jesús Orduna","Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability","Journal of the American Chemical Society","2010","132","","10498","10512","10.1021/ja103289a","","","0.71069","MoKα","","0.1223","0.0769","","","0.176","0.1976","","","","","","1.016","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102731","8.11","0.008","23.628","0.01","15.194","0.007","90","","99.38","0.05","90","","2873","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 F12 N4 P2 -","- C26 H30 F12 N4 P2 -","- C104 H120 F48 N16 P8 -","4","1","","Benjamin J. Coe; John Fielden; Simon P. Foxon; James A. Harris; Madeleine Helliwell; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Javier Garín; Jesús Orduna","Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability","Journal of the American Chemical Society","2010","132","","10498","10512","10.1021/ja103289a","","","0.71073","MoKα","","0.1044","0.0477","","","0.0647","0.0708","","","","","","0.82","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102732","8.6232","0.0004","11.1678","0.0007","19.3842","0.0011","92.748","0.005","93.376","0.004","90.305","0.004","1861.3","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H41 N3 O6 S2 -","- C44 H41 N3 O6 S2 -","- C88 H82 N6 O12 S4 -","2","1","","Benjamin J. Coe; John Fielden; Simon P. Foxon; James A. Harris; Madeleine Helliwell; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Javier Garín; Jesús Orduna","Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability","Journal of the American Chemical Society","2010","132","","10498","10512","10.1021/ja103289a","","","0.71073","MoKα","","0.0751","0.0408","","","0.0901","0.1022","","","","","","0.946","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102733","8.3822","0.0004","11.8966","0.0006","16.7255","0.0008","97.812","0.004","99.103","0.004","104.236","0.004","1569.42","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H35 F12 N3 O P2 -","- C29 H35 F12 N3 O P2 -","- C58 H70 F24 N6 O2 P4 -","2","1","","Benjamin J. Coe; John Fielden; Simon P. Foxon; James A. Harris; Madeleine Helliwell; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Javier Garín; Jesús Orduna","Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability","Journal of the American Chemical Society","2010","132","","10498","10512","10.1021/ja103289a","","","0.71073","MoKα","","0.0758","0.0405","","","0.093","0.1064","","","","","","0.947","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102734","7.886","0.001","8.897","0.001","25.061","0.003","84.486","0.011","86.213","0.011","65.61","0.016","1593.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 F12 N4 P2 -","- C30 H34 F12 N4 P2 -","- C60 H68 F24 N8 P4 -","2","1","","Benjamin J. Coe; John Fielden; Simon P. Foxon; James A. Harris; Madeleine Helliwell; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Javier Garín; Jesús Orduna","Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability","Journal of the American Chemical Society","2010","132","","10498","10512","10.1021/ja103289a","","","0.71069","MoKα","","0.151","0.049","","","0.0615","0.0782","","","","","","0.785","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102735","18.315","0.002","16.102","0.001","15.462","0.001","90","","103.33","0.01","90","","4437","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 F6 N6 O6 S2 -","- C46 H48 F6 N6 O6 S2 -","- C184 H192 F24 N24 O24 S8 -","4","0.5","","Benjamin J. Coe; John Fielden; Simon P. Foxon; James A. Harris; Madeleine Helliwell; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Javier Garín; Jesús Orduna","Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability","Journal of the American Chemical Society","2010","132","","10498","10512","10.1021/ja103289a","","","0.71073","MoKα","","0.1431","0.1053","","","0.2963","0.3305","","","","","","1.27","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102736","10.31","0.004","35.917","0.014","12.402","0.005","90","","90","","90","","4593","3","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C53 H54 N4 O8 S2 -","- C53 H54 N4 O8 S2 -","- C212 H216 N16 O32 S8 -","4","","","Benjamin J. Coe; John Fielden; Simon P. Foxon; James A. Harris; Madeleine Helliwell; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Javier Garín; Jesús Orduna","Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability","Journal of the American Chemical Society","2010","132","","10498","10512","10.1021/ja103289a","","","0.71073","MoKα","","0.1239","0.0995","","","0.2342","0.2494","","","","","","1.091","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102737","10.055","0.005","12.875","0.007","37.899","0.019","90","","90","","90","","4906","4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C57 H58 N4 O8 S2 -","- C57 H58 N4 O8 S2 -","- C228 H232 N16 O32 S8 -","4","0.5","","Benjamin J. Coe; John Fielden; Simon P. Foxon; James A. Harris; Madeleine Helliwell; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Javier Garín; Jesús Orduna","Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability","Journal of the American Chemical Society","2010","132","","10498","10512","10.1021/ja103289a","","","0.6933","synchrotron","","0.137","0.1143","","","0.2491","0.2598","","","","","","1.131","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102738","33.971","0.003","8.5208","0.0009","20.299","0.002","90","","124.043","0.001","90","","4868.8","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H60 F12 N4 O2 P2 -","- C51 H60 F12 N4 O2 P2 -","- C204 H240 F48 N16 O8 P8 -","4","0.5","","Benjamin J. Coe; John Fielden; Simon P. Foxon; James A. Harris; Madeleine Helliwell; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Javier Garín; Jesús Orduna","Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability","Journal of the American Chemical Society","2010","132","","10498","10512","10.1021/ja103289a","","","0.6933","synchrotron","","0.0677","0.0447","","","0.109","0.1208","","","","","","1.027","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102739","25.1611","0.0005","12.70129","0.00013","11.60014","0.00008","90","","90","","90","","3707.15","0.09","","","","","","","","","","","","3","P m m m","-P 2 2","47","","","","- Ge0.74 O5.57 Si1.76 -","- Ge0.743167 O5.57217 Si1.75683 -","- Ge17.836 O133.732 Si42.164 -","24","3","","Mathias Dodin; Jean-Louis Paillaud; Yannnick Lorgouilloux; Philippe Caullet; Erik Elkaïm; Nicolas Bats","A Zeolitic Material with a Three-Dimensional Pore System Formed by Straight 12- and 10-Ring Channels Synthesized with an Imidazolium Derivative as Structure-Directing Agent","Journal of the American Chemical Society","2010","132","","10221","10223","10.1021/ja103648k","powder diffraction","x-ray","0.7294","","","","","","","","","0.10927","","1.03","","","","","","","has coordinates,has Fobs","178773","2020-10-21","18:00:00",""
"4102740","10.9272","0.0002","18.3875","0.0004","17.9123","0.0004","90","","92.9509","0.0011","90","","3594.24","0.13","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ti(N2NMe)(NNPh2)(bipy)","","- C33 H47 N7 Si2 Ti -","- C33 H47 N7 Si2 Ti -","- C132 H188 N28 Si8 Ti4 -","4","1","","A. Daniel Schofield; Ainara Nova; Jonathan D. Selby; Catherine D. Manley; Andrew D. Schwarz; Eric Clot; Philip Mountford","M=Nα Cycloaddition and Nα-Nβ Insertion in the Reactions of Titanium Hydrazido Compounds with Alkynes: A Combined Experimental and Computational Study","Journal of the American Chemical Society","2010","132","","10484","10497","10.1021/ja1036513","","","0.71073","MoKα","","0.083","0.0596","","0.0615","0.0556","0.0551","","","","","","1.1137","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102741","14.7234","0.0002","16.5773","0.0002","20.6285","0.0003","103.846","0.0004","94.6175","0.0005","115.87","0.0005","4298.99","0.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","Ti(N2Npy){N(NPh2)C(Me)C(C6F5)}","","- C36 H42 F5 N5 Si2 Ti -","- C36 H42 F5 N5 Si2 Ti -","- C144 H168 F20 N20 Si8 Ti4 -","4","2","","A. Daniel Schofield; Ainara Nova; Jonathan D. Selby; Catherine D. Manley; Andrew D. Schwarz; Eric Clot; Philip Mountford","M=Nα Cycloaddition and Nα-Nβ Insertion in the Reactions of Titanium Hydrazido Compounds with Alkynes: A Combined Experimental and Computational Study","Journal of the American Chemical Society","2010","132","","10484","10497","10.1021/ja1036513","","","0.71073","MoKα","","0.0728","0.0515","","0.0594","0.0484","0.046","","","","","","1.1066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102742","39.2342","0.001","10.6636","0.0003","20.7574","0.0006","90","","102.084","0.0015","90","","8492","0.4","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ti(N2Npy){NC(Ph)C(Me)NPh2}(py). 0.5(Et2O)","","- C43 H57 N6 O0.5 Si2 Ti -","- C43 H57 N6 O0.5 Si2 Ti -","- C344 H456 N48 O4 Si16 Ti8 -","8","1","","A. Daniel Schofield; Ainara Nova; Jonathan D. Selby; Catherine D. Manley; Andrew D. Schwarz; Eric Clot; Philip Mountford","M=Nα Cycloaddition and Nα-Nβ Insertion in the Reactions of Titanium Hydrazido Compounds with Alkynes: A Combined Experimental and Computational Study","Journal of the American Chemical Society","2010","132","","10484","10497","10.1021/ja1036513","","","0.71073","MoKα","","0.0847","0.0437","","0.0555","0.0431","0.0431","","","","","","1.1169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102743","10.191","0.0001","19.6879","0.0002","38.0089","0.0004","90","","92.0565","0.0004","90","","7621.17","0.13","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ti(N2NMe){NC(Ph)C(Me)NPh2}(py)","","- C37 H52 N6 Si2 Ti -","- C37 H52 N6 Si2 Ti -","- C296 H416 N48 Si16 Ti8 -","8","2","","A. Daniel Schofield; Ainara Nova; Jonathan D. Selby; Catherine D. Manley; Andrew D. Schwarz; Eric Clot; Philip Mountford","M=Nα Cycloaddition and Nα-Nβ Insertion in the Reactions of Titanium Hydrazido Compounds with Alkynes: A Combined Experimental and Computational Study","Journal of the American Chemical Society","2010","132","","10484","10497","10.1021/ja1036513","","","0.71073","MoKα","","0.1262","0.0397","","0.1081","0.0443","0.0443","","","","","","1.14","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102744","5.0929","0.0002","7.3053","0.0003","7.6069","0.0004","108.797","0.0019","98.662","0.002","108.823","0.002","243.14","0.02","150","","150","","","","","","","","","3","P -1","-P 1","2","","MeCC(2,3,5,6-C6F4)CCMe","","- C12 H6 F4 -","- C12 H6 F4 -","- C12 H6 F4 -","1","0.5","","A. Daniel Schofield; Ainara Nova; Jonathan D. Selby; Catherine D. Manley; Andrew D. Schwarz; Eric Clot; Philip Mountford","M=Nα Cycloaddition and Nα-Nβ Insertion in the Reactions of Titanium Hydrazido Compounds with Alkynes: A Combined Experimental and Computational Study","Journal of the American Chemical Society","2010","132","","10484","10497","10.1021/ja1036513","","","0.71073","MoKα","","0.056","0.053","","0.065","0.0617","0.0609","","","","","","1.0765","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102745","10.0757","0.0001","12.3241","0.0002","16.9363","0.0002","82.9647","0.0005","73.1733","0.0005","66.2377","0.0006","1842.31","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Ti(N2NMe){NCC(Me)NPh2}(py)]2(m-2,3,5,6-C6F4)","","- C68 H94 F4 N12 Si4 Ti2 -","- C68 H94 F4 N12 Si4 Ti2 -","- C68 H94 F4 N12 Si4 Ti2 -","1","0.5","","A. Daniel Schofield; Ainara Nova; Jonathan D. Selby; Catherine D. Manley; Andrew D. Schwarz; Eric Clot; Philip Mountford","M=Nα Cycloaddition and Nα-Nβ Insertion in the Reactions of Titanium Hydrazido Compounds with Alkynes: A Combined Experimental and Computational Study","Journal of the American Chemical Society","2010","132","","10484","10497","10.1021/ja1036513","","","0.71073","MoKα","","0.064","0.0475","","0.0575","0.0483","0.0475","","","","","","1.1088","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102746","8.5073","0.0011","10.3194","0.0011","19.4459","0.0017","90","","95.118","0.004","90","","1700.4","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H52 Hf2 N2 O2 -","- C38 H52 Hf2 N2 O2 -","- C76 H104 Hf4 N4 O4 -","2","1","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Carbon Monoxide-Induced Dinitrogen Cleavage with Group 4 Metallocenes: Reaction Scope and Coupling to N-H Bond Formation and CO Deoxygenation","Journal of the American Chemical Society","2010","132","","10553","10564","10.1021/ja104025v","","","0.71073","MoKα","","0.0427","0.0373","","","0.0803","0.0833","","","","","","0.999","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102747","32.636","0.0013","9.5086","0.0004","21.5096","0.001","90","","97.426","0.002","90","","6618.9","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H52 Hf2 N2 O -","- C37 H52 Hf2 N2 O -","- C296 H416 Hf16 N16 O8 -","8","1","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Carbon Monoxide-Induced Dinitrogen Cleavage with Group 4 Metallocenes: Reaction Scope and Coupling to N-H Bond Formation and CO Deoxygenation","Journal of the American Chemical Society","2010","132","","10553","10564","10.1021/ja104025v","","","0.71073","MoKα","","0.053","0.0331","","","0.0643","0.0719","","","","","","1.019","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102748","9.2673","0.0007","41.759","0.003","9.3478","0.0007","90","","110.989","0.004","90","","3377.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H54 Hf2 N2 O -","- C37 H54 Hf2 N2 O -","- C148 H216 Hf8 N8 O4 -","4","1","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Carbon Monoxide-Induced Dinitrogen Cleavage with Group 4 Metallocenes: Reaction Scope and Coupling to N-H Bond Formation and CO Deoxygenation","Journal of the American Chemical Society","2010","132","","10553","10564","10.1021/ja104025v","","","0.71073","MoKα","","0.0358","0.031","","","0.088","0.0908","","","","","","1.015","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102749","10.9609","0.0006","13.9203","0.0007","16.4943","0.0009","66.975","0.002","79.535","0.002","68.141","0.002","2147.8","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C89 H131 Hf4 N4 O2 Si4 -","- C89 H131 Hf4 N4 O2 Si4 -","- C89 H131 Hf4 N4 O2 Si4 -","1","0.5","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Carbon Monoxide-Induced Dinitrogen Cleavage with Group 4 Metallocenes: Reaction Scope and Coupling to N-H Bond Formation and CO Deoxygenation","Journal of the American Chemical Society","2010","132","","10553","10564","10.1021/ja104025v","","","0.71073","MoKα","","0.0562","0.0296","","","0.0502","0.0566","","","","","","1.013","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102750","10.9031","0.0012","13.796","0.0016","16.365","0.002","68.06","0.004","80.456","0.006","69.609","0.005","2138.5","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C89 H131 N4 O2 Si4 Zr4 -","- C89 H131 N4 O2 Si4 Zr4 -","- C89 H131 N4 O2 Si4 Zr4 -","1","0.5","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Carbon Monoxide-Induced Dinitrogen Cleavage with Group 4 Metallocenes: Reaction Scope and Coupling to N-H Bond Formation and CO Deoxygenation","Journal of the American Chemical Society","2010","132","","10553","10564","10.1021/ja104025v","","","0.71073","MoKα","","0.1629","0.0662","","","0.1512","0.2008","","","","","","0.989","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102751","11.1183","0.0005","13.6916","0.0006","16.4937","0.0007","65.722","0.002","84.756","0.002","71.372","0.002","2166.52","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H61 Hf2 N O2 Si2 -","- C41 H61 Hf2 N O2 Si2 -","- C82 H122 Hf4 N2 O4 Si4 -","2","1","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Carbon Monoxide-Induced Dinitrogen Cleavage with Group 4 Metallocenes: Reaction Scope and Coupling to N-H Bond Formation and CO Deoxygenation","Journal of the American Chemical Society","2010","132","","10553","10564","10.1021/ja104025v","","","0.71073","MoKα","","0.0369","0.028","","","0.0675","0.071","","","","","","1.073","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102752","7.5272","0.0004","15.9463","0.0008","13.2915","0.0006","90","","100.104","0.003","90","","1570.65","0.14","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C72 H96 O16 -","4","1","","Yu-Jun Zhao; Bin Li; Li-Jun Serena Tan; Zhi-Liang Shen; Teck-Peng Loh","Enantioselective Cationic Polyene Cyclization vs Enantioselective Intramolecular Carbonyl-Ene Reaction","Journal of the American Chemical Society","2010","132","","10242","10244","10.1021/ja104119j","","","0.71073","MoKα","","0.1371","0.1134","","","0.3115","0.3723","","","","","","1.45","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102753","6.6693","0.0002","7.8743","0.0004","30.0251","0.0012","90","","90","","90","","1576.8","0.11","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Cl O2 -","- C18 H25 Cl O2 -","- C72 H100 Cl4 O8 -","4","1","","Yu-Jun Zhao; Bin Li; Li-Jun Serena Tan; Zhi-Liang Shen; Teck-Peng Loh","Enantioselective Cationic Polyene Cyclization vs Enantioselective Intramolecular Carbonyl-Ene Reaction","Journal of the American Chemical Society","2010","132","","10242","10244","10.1021/ja104119j","","","0.71073","MoKα","","0.0447","0.0373","","","0.0916","0.1043","","","","","","1.087","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102754","7.7882","0.0006","10.591","0.0009","13.0638","0.0011","81.172","0.002","76.333","0.002","71.019","0.002","986.67","0.14","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H23 Br N2 O5 S -","- C17 H23 Br N2 O5 S -","- C34 H46 Br2 N4 O10 S2 -","2","1","","Ling Zhou; Chong Kiat Tan; Jing Zhou; Ying-Yeung Yeung","Facile, Efficient, and Catalyst-Free Electrophilic Aminoalkoxylation of Olefins: Scope and Application","Journal of the American Chemical Society","2010","132","","10245","10247","10.1021/ja104168q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102755","20.8509","0.0001","17.1103","0.0001","24.2437","0.0002","90","","104.181","0.0002","90","","8385.72","0.09","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H86 B F24 Ir N4 -","- C86 H86 B F24 Ir N4 -","- C344 H344 B4 F96 Ir4 N16 -","4","1","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0674","0.0412","","0.1007","0.0813","0.1007","","","","","","0.9577","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102756","17.416","0.0001","13.2405","0.0001","39.2632","0.0002","90","","92.2185","0.00018","90","","9047.17","0.1","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90.18 H94.02 B F24 Ir N4 -","- C90.175 H94.02 B F24 Ir N4 -","- C360.7 H376.08 B4 F96 Ir4 N16 -","4","1","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.06","0.038","","0.1002","0.08","0.1002","","","","","","0.9125","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102757","22.7234","0.0003","18.7031","0.0003","19.6595","0.0002","90","","116.051","0.0007","90","","7506.39","0.18","150","","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C74 H62 B Cl F24 Ir N4 Na -","- C74 H62 B Cl F24 Ir N4 Na -","- C296 H248 B4 Cl4 F96 Ir4 N16 Na4 -","4","0.5","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0773","0.0629","","0.1556","0.1461","0.1556","","","","","","0.938","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102758","12.7677","0.0001","14.3005","0.0001","20.9203","0.0002","90","","95.1294","0.0004","90","","3804.43","0.05","150","","150","","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C74 H60.43 B Cl0.15 F24 Ir N7.27 Na0.15 -","- C74 H60.432 B Cl0.15 F24 Ir N7.26 Na0.15 -","- C148 H120.864 B2 Cl0.3 F48 Ir2 N14.52 Na0.3 -","2","0.5","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0621","0.0481","","0.1165","0.1009","0.1165","","","","","","0.9531","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102759","12.9101","0.0001","14.4822","0.0001","20.7483","0.0002","90","","95.7575","0.0004","90","","3859.67","0.05","150","","150","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C78 H68 B F24 Ir N6 O -","- C78 H68 B F24 Ir N6 O -","- C156 H136 B2 F48 Ir2 N12 O2 -","2","0.5","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0431","0.0375","","0.0961","0.0894","0.0961","","","","","","1.0001","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102760","12.3626","0.0001","18.0479","0.0001","18.2196","0.0002","85.7504","0.0003","89.6654","0.0003","73.4166","0.0003","3884.84","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H74 B2 F24 N5 Rh -","- C77 H74 B2 F24 N5 Rh -","- C154 H148 B4 F48 N10 Rh2 -","2","1","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0624","0.0505","","0.1324","0.1192","0.1324","","","","","","0.9992","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102761","12.5131","0.0001","18.025","0.0002","18.3267","0.0002","92.2635","0.0004","109.9","0.0004","92.5285","0.0004","3876.41","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H74 B2 F24 Ir N5 -","- C77 H74 B2 F24 Ir N5 -","- C154 H148 B4 F48 Ir2 N10 -","2","1","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0523","0.0393","","0.103","0.0888","0.103","","","","","","0.9988","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102762","12.1802","0.0001","18.109","0.0001","19.0903","0.0002","96.3368","0.0004","91.757","0.0004","106.176","0.0004","4011.04","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C80 H78 B2 F24 N5 Rh -","- C80 H78 B2 F24 N5 Rh -","- C160 H156 B4 F48 N10 Rh2 -","2","1","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0706","0.0513","","0.1201","0.1023","0.12","","","","","","0.9526","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102763","12.692","0.004","17.585","0.007","18.027","0.006","88.662","0.016","71.192","0.009","87.422","0.013","3805","2","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C77.16 H68.33 B Cl0.21 F24 N4 O0.79 Rh -","- C77.164 H68.328 B Cl0.209 F24 N4 O0.791 Rh -","- C154.328 H136.656 B2 Cl0.418 F48 N8 O1.582 Rh2 -","2","1","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.6889","Synchrotron","","0.0954","0.0754","","0.0962","0.0803","0.0803","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102764","13.0947","0.0001","36.5759","0.0001","54.0064","0.0002","90","","93.2135","0.00018","90","","25825.7","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H86 B2 F24 N5 Rh -","- C86 H86 B2 F24 N5 Rh -","- C1032 H1032 B24 F288 N60 Rh12 -","12","3","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.1276","0.0751","","0.2065","0.1584","0.2065","","","","","","0.9618","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102765","12.2427","0.0001","18.0382","0.0002","18.8848","0.0002","84.3098","0.0005","89.8394","0.0005","74.7171","0.0004","4001.96","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C80 H78 B2 F24 Ir N5 -","- C80 H78 B2 F24 Ir N5 -","- C160 H156 B4 F48 Ir2 N10 -","2","1","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0696","0.0498","","0.1088","0.0944","0.1088","","","","","","0.9199","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102766","13.0196","0.0001","16.2636","0.0001","41.958","0.003","86.1769","0.0002","89.9547","0.0002","84.5651","0.0002","8824.7","0.6","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C87.84 H90.41 B2 F24 Ir N5 -","- C87.85 H90.44 B2 F24 Ir N5 -","- C351.4 H361.76 B8 F96 Ir4 N20 -","4","2","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0963","0.0789","","0.1652","0.152","0.1648","","","","","","0.9993","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102767","12.4797","0.0001","18.0232","0.0001","18.3026","0.0001","86.9554","0.0003","71.1266","0.0004","88.1755","0.0004","3889.4","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H76 B2 F24 N5 Rh -","- C78 H76 B2 F24 N5 Rh -","- C156 H152 B4 F48 N10 Rh2 -","2","1","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.07","0.0571","","0.1523","0.1336","0.1523","","","","","","0.9235","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102768","12.5092","0.0001","18.0131","0.0002","18.2799","0.0002","86.9894","0.0005","70.6905","0.0006","87.986","0.0006","3881.23","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H74 B2 F24 N5 Rh -","- C78 H74 B2 F24 N5 Rh -","- C156 H148 B4 F48 N10 Rh2 -","2","1","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.082","0.0653","","0.1822","0.1604","0.1822","","","","","","0.9995","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102769","12.9838","0.0002","18.0619","0.0002","19.1755","0.0003","89.919","0.0005","72.2221","0.0006","85.1736","0.0007","4265.57","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H84 B2 F24 Ir N5 -","- C86 H84 B2 F24 Ir N5 -","- C172 H168 B4 F48 Ir2 N10 -","2","1","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0788","0.0582","","0.1405","0.124","0.1405","","","","","","0.9999","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102770","13.4156","0.0001","16.6035","0.0002","38.5024","0.0004","90","","95.1242","0.0004","90","","8541.98","0.15","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H82 B2 F24 Ir N5 -","- C86 H82 B2 F24 Ir N5 -","- C344 H328 B8 F96 Ir4 N20 -","4","1","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.1103","0.0654","","0.138","0.1085","0.1374","","","","","","0.9531","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102771","12.8899","0.0001","35.5605","0.0003","13.1718","0.0001","90","","115.227","0.0003","90","","5461.77","0.08","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H41 B2 F24 N3 -","- C53 H41 B2 F24 N3 -","- C212 H164 B8 F96 N12 -","4","2","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0665","0.0595","","0.1527","0.1441","0.1527","","","","","","1.0001","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102772","10.3497","0.0012","5.6898","0.0006","17.1366","0.0019","90","","90.22","0.002","90","","1009.13","0.19","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H30 N2 O3 -","- C22 H30 N2 O3 -","- C44 H60 N4 O6 -","2","1","","Uttam K. Tambar; Sharon K. Lee; James L. Leighton","Enantioselective (Formal) Aza-Diels-Alder Reactions with Non-Danishefsky-Type Dienes","Journal of the American Chemical Society","2010","132","","10248","10250","10.1021/ja104480g","","","0.71073","MoKα","","0.0555","0.0473","","","0.1162","0.1252","","","","","","1.038","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102773","12.6963","0.0008","5.6982","0.0004","13.9991","0.0009","90","","98.935","0.001","90","","1000.49","0.11","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 Br N2 O3 -","- C20 H27 Br N2 O3 -","- C40 H54 Br2 N4 O6 -","2","1","","Uttam K. Tambar; Sharon K. Lee; James L. Leighton","Enantioselective (Formal) Aza-Diels-Alder Reactions with Non-Danishefsky-Type Dienes","Journal of the American Chemical Society","2010","132","","10248","10250","10.1021/ja104480g","","","0.71073","MoKα","","0.0515","0.038","","","0.0816","0.0869","","","","","","1.028","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102774","13.226","0.002","14.275","0.002","18.644","0.003","82.897","0.003","84.533","0.003","77.795","0.002","3405.4","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H52 B Cl F24 N2 Pd -","- C68 H52 B Cl F24 N2 Pd -","- C136 H104 B2 Cl2 F48 N4 Pd2 -","2","1","","Changle Chen; Richard F. Jordan","Palladium-Catalyzed Dimerization of Vinyl Ethers to Acetals","Journal of the American Chemical Society","2010","132","","10254","10255","10.1021/ja104523y","","","0.71073","MoKα","","0.0861","0.0648","","","0.1667","0.1777","","","","","","0.932","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102775","9.306","0.004","18.733","0.008","19.586","0.008","90","","98.302","0.007","90","","3379","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H33 O2 Si2 -","- C40 H33 O2 Si2 -","- C160 H132 O8 Si8 -","4","1","","Changle Chen; Richard F. Jordan","Palladium-Catalyzed Dimerization of Vinyl Ethers to Acetals","Journal of the American Chemical Society","2010","132","","10254","10255","10.1021/ja104523y","","","0.71073","MoKα","","0.06","0.051","","","0.1381","0.1442","","","","","","1.065","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102776","11.4126","0.0013","13.1288","0.0015","18.984","0.002","109.283","0.002","91.586","0.002","100.116","0.002","2631.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H53 B Cl0.06 F20 N2 P -","- C56 H53 B Cl0.062 F20 N2 P -","- C112 H106 B2 Cl0.124 F40 N4 P2 -","2","1","","Olivier Back; Mehmet Ali Celik; Gernot Frenking; Mohand Melaimi; Bruno Donnadieu; Guy Bertrand","A Crystalline Phosphinyl Radical Cation","Journal of the American Chemical Society","2010","132","","10262","10263","10.1021/ja1046846","","","0.71073","MoKα","","0.1029","0.0578","","","0.128","0.1502","","","","","","1.008","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102777","15.7369","0.001","11.4071","0.0007","16.6528","0.001","90","","96.202","0.001","90","","2971.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H53 N2 P -","- C32 H53 N2 P -","- C128 H212 N8 P4 -","4","1","","Olivier Back; Mehmet Ali Celik; Gernot Frenking; Mohand Melaimi; Bruno Donnadieu; Guy Bertrand","A Crystalline Phosphinyl Radical Cation","Journal of the American Chemical Society","2010","132","","10262","10263","10.1021/ja1046846","","","0.71073","MoKα","","0.0647","0.0385","","","0.0764","0.0815","","","","","","0.875","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102778","13.3286","0.0013","14.7172","0.0014","17.692","0.003","110.179","0.002","92.789","0.002","116.027","0.001","2843.6","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H59 B F21 N2 P -","- C62 H59 B F21 N2 P -","- C124 H118 B2 F42 N4 P2 -","2","1","","Olivier Back; Mehmet Ali Celik; Gernot Frenking; Mohand Melaimi; Bruno Donnadieu; Guy Bertrand","A Crystalline Phosphinyl Radical Cation","Journal of the American Chemical Society","2010","132","","10262","10263","10.1021/ja1046846","","","0.71073","MoKα","","0.08","0.0469","","","0.1016","0.1124","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102779","18.9573","0.0008","18.9573","0.0008","25.392","0.0009","90","","90","","120","","7902.8","0.5","173.1","","173.1","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C106 H102 Cl4 Cu2 O4 P4 -","- C106 H74 Cl4 Cu2 O4 P4 -","- C318 H222 Cl12 Cu6 O12 P12 -","3","0.5","","Gaku Hattori; Ken Sakata; Hiroshi Matsuzawa; Yoshiaki Tanabe; Yoshihiro Miyake; Yoshiaki Nishibayashi","Copper-Catalyzed Enantioselective Propargylic Amination of Propargylic Esters with Amines: Copper-Allenylidene Complexes as Key Intermediates","Journal of the American Chemical Society","2010","132","","10592","10608","10.1021/ja1047494","","","0.71075","MoKα","","","0.0408","","","","0.0856","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102780","11.6476","0.0014","5.0598","0.0008","13.0466","0.0016","90","","90.442","0.003","90","","768.87","0.18","173.1","","173.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H16 Cl N -","- C20 H16 Cl N -","- C40 H32 Cl2 N2 -","2","1","","Gaku Hattori; Ken Sakata; Hiroshi Matsuzawa; Yoshiaki Tanabe; Yoshihiro Miyake; Yoshiaki Nishibayashi","Copper-Catalyzed Enantioselective Propargylic Amination of Propargylic Esters with Amines: Copper-Allenylidene Complexes as Key Intermediates","Journal of the American Chemical Society","2010","132","","10592","10608","10.1021/ja1047494","","","0.71075","MoKα","","","0.056","","","","0.1344","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102781","11.3495","0.0005","11.5304","0.0004","13.7315","0.0006","93.9917","0.0013","91.1022","0.0015","103.075","0.0013","1745","0.12","173.1","","173.1","","","","","","","","","6","P 1","P 1","1","","","","- C76 H60 Cl6 Cu2 O4 P4 -","- C76 H60 Cl6 Cu2 O4 P4 -","- C76 H60 Cl6 Cu2 O4 P4 -","1","1","","Gaku Hattori; Ken Sakata; Hiroshi Matsuzawa; Yoshiaki Tanabe; Yoshihiro Miyake; Yoshiaki Nishibayashi","Copper-Catalyzed Enantioselective Propargylic Amination of Propargylic Esters with Amines: Copper-Allenylidene Complexes as Key Intermediates","Journal of the American Chemical Society","2010","132","","10592","10608","10.1021/ja1047494","","","0.71075","MoKα","","","0.0314","","","","0.0706","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102782","13.8976","0.0004","13.8976","0.0004","35.5493","0.0013","90","","90","","90","","6866.1","0.4","173.1","","173.1","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C88 H64 Cl2 Cu2 P4 -","- C88 H64 Cl2 Cu2 P4 -","- C352 H256 Cl8 Cu8 P16 -","4","0.5","","Gaku Hattori; Ken Sakata; Hiroshi Matsuzawa; Yoshiaki Tanabe; Yoshihiro Miyake; Yoshiaki Nishibayashi","Copper-Catalyzed Enantioselective Propargylic Amination of Propargylic Esters with Amines: Copper-Allenylidene Complexes as Key Intermediates","Journal of the American Chemical Society","2010","132","","10592","10608","10.1021/ja1047494","","","0.71075","MoKα","","","0.0451","","","","0.129","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102783","8.5116","0.0017","26.887","0.005","41.174","0.008","90","","90","","90","","9423","3","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C54 H66 Si5 -","- C54 H66 Si5 -","- C432 H528 Si40 -","8","1","","Dominik Nied; Ralf Köppe; Wim Klopper; Hansgeorg Schnöckel; Frank Breher","Synthesis of a Pentasilapropellane. Exploring the Nature of a Stretched Silicon-Silicon Bond in a Nonclassical Molecule","Journal of the American Chemical Society","2010","132","","10264","10265","10.1021/ja104810u","","","0.71073","MoKα","","0.1069","0.098","","","0.1776","0.1813","","","","","","1.38","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102784","17.2825","0.0003","23.4559","0.0004","18.2009","0.0013","90","","114.427","0.008","90","","6717.8","0.7","153.1","","153.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C140 H192 Cu O16 P3 -","- C140 H192 Cu O16 P3 -","- C280 H384 Cu2 O32 P6 -","2","1","","Ryo Yazaki; Naoya Kumagai; Masakatsu Shibasaki","Direct Catalytic Asymmetric Conjugate Addition of Terminal Alkynes to α,β-Unsaturated Thioamides","Journal of the American Chemical Society","2010","132","","10275","10277","10.1021/ja105141x","","","1.54187","CuKα","","","0.0551","","","","0.1493","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102785","4.8515","0.0002","10.4926","0.0004","15.8543","0.0007","90","","91.852","0.002","90","","806.64","0.06","93.1","","93.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N S -","- C19 H19 N S -","- C38 H38 N2 S2 -","2","1","","Ryo Yazaki; Naoya Kumagai; Masakatsu Shibasaki","Direct Catalytic Asymmetric Conjugate Addition of Terminal Alkynes to α,β-Unsaturated Thioamides","Journal of the American Chemical Society","2010","132","","10275","10277","10.1021/ja105141x","","","1.54187","CuKα","","","0.0755","","","","0.1993","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102786","10.2051","0.0005","11.357","0.0006","13.873","0.0007","68.513","0.002","73.874","0.002","64.295","0.002","1334.45","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H60 N8 O8 -","- C62 H60 N8 O8 -","- C62 H60 N8 O8 -","1","0.5","","José Berná; Mateo Alajarín; Raúl-Angel Orenes","Azodicarboxamides as Template Binding Motifs for the Building of Hydrogen-Bonded Molecular Shuttles","Journal of the American Chemical Society","2010","132","","10741","10747","10.1021/ja101151t","","","0.71073","MoKα","","0.0514","0.0422","","","0.099","0.1043","","","","","","1.033","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102787","10.8603","0.0004","18.963","0.0007","25.9552","0.001","90","","90","","90","","5345.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C62 H62 N8 O8 -","- C62 H62 N8 O8 -","- C248 H248 N32 O32 -","4","0.5","","José Berná; Mateo Alajarín; Raúl-Angel Orenes","Azodicarboxamides as Template Binding Motifs for the Building of Hydrogen-Bonded Molecular Shuttles","Journal of the American Chemical Society","2010","132","","10741","10747","10.1021/ja101151t","","","0.71073","MoKα","","0.1068","0.0871","","","0.1583","0.1659","","","","","","1.239","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102788","20.4472","0.0006","10.9518","0.0003","20.3069","0.0005","90","","90.7561","0.001","90","","4547","0.2","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H48 Cl9 F3 N P Pt -","- C41 H48 Cl9 F3 N P Pt -","- C164 H192 Cl36 F12 N4 P4 Pt4 -","4","1","","Ariela W. Kaspi; Israel Goldberg; Arkadi Vigalok","Reagent-Dependent Formation of C-C and C-F Bonds in Pt Complexes: An Unexpected Twist in the Electrophilic Fluorination Chemistry","Journal of the American Chemical Society","2010","132","","10626","10627","10.1021/ja101436w","","","0.71073","MoKα","","0.0968","0.0547","","","0.0975","0.1114","","","","","","1.037","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102789","19.2068","0.0004","14.9867","0.0003","28.4503","0.0005","90","","90","","90","","8189.3","0.3","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H52 N P Pt -","- C41 H52 N P Pt -","- C328 H416 N8 P8 Pt8 -","8","1","","Ariela W. Kaspi; Israel Goldberg; Arkadi Vigalok","Reagent-Dependent Formation of C-C and C-F Bonds in Pt Complexes: An Unexpected Twist in the Electrophilic Fluorination Chemistry","Journal of the American Chemical Society","2010","132","","10626","10627","10.1021/ja101436w","","","0.71073","MoKα","","0.1291","0.0683","","","0.1486","0.1644","","","","","","1.023","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102790","36.0527","0.0004","36.0527","0.0004","20.744","0.0004","90","","90","","90","","26963","0.7","110","2","110","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C54 H72 Cl2 P2 Pt2 -","- C54 H72 Cl2 P2 Pt2 -","- C864 H1152 Cl32 P32 Pt32 -","16","1","","Ariela W. Kaspi; Israel Goldberg; Arkadi Vigalok","Reagent-Dependent Formation of C-C and C-F Bonds in Pt Complexes: An Unexpected Twist in the Electrophilic Fluorination Chemistry","Journal of the American Chemical Society","2010","132","","10626","10627","10.1021/ja101436w","","","0.71073","MoKα","","0.0657","0.0409","","","0.0963","0.1014","","","","","","0.936","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102791","12.6717","0.0003","20.2955","0.0004","19.301","0.0005","90","","93.0782","0.001","90","","4956.6","0.2","110","2","110","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C57 H59 F4 N O3 P2 Pt S -","- C57 H59 F4 N O3 P2 Pt S -","- C228 H236 F16 N4 O12 P8 Pt4 S4 -","4","1","","Ariela W. Kaspi; Israel Goldberg; Arkadi Vigalok","Reagent-Dependent Formation of C-C and C-F Bonds in Pt Complexes: An Unexpected Twist in the Electrophilic Fluorination Chemistry","Journal of the American Chemical Society","2010","132","","10626","10627","10.1021/ja101436w","","","0.71073","MoKα","","0.1063","0.072","","","0.1729","0.1925","","","","","","1.044","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102792","11.34","0.0002","15.621","0.0003","18.5266","0.0005","66.7454","0.0011","80.2447","0.001","73.5493","0.0013","2885.6","0.11","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H76 F P3 Pt -","- C72 H76 F P3 Pt -","- C144 H152 F2 P6 Pt2 -","2","1","","Ariela W. Kaspi; Israel Goldberg; Arkadi Vigalok","Reagent-Dependent Formation of C-C and C-F Bonds in Pt Complexes: An Unexpected Twist in the Electrophilic Fluorination Chemistry","Journal of the American Chemical Society","2010","132","","10626","10627","10.1021/ja101436w","","","0.71073","MoKα","","0.0771","0.0594","","","0.1007","0.1068","","","","","","1.08","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102793","23.9286","0.0002","23.9286","0.0002","42.0821","0.0005","90","","90","","90","","24095.3","0.4","150","2","150","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","catena-(tetrakis(1,1'-Methylenedipiperidinium) tritriaconta-selenido-hexadeca-gallium-di-copper-di-tin)","","- C44 H96 Cu2 Ga16 N8 Se33 Sn2 -","- Cu2 Ga16 Se33 Sn2 -","- Cu16 Ga128 Se264 Sn16 -","8","0.25","","Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng","Largest Molecular Clusters in the Supertetrahedral Tn Series","Journal of the American Chemical Society","2010","132","","10823","10831","10.1021/ja102688p","","","0.71073","MoKα","","0.1196","0.0587","","","0.1873","0.272","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102794","24.1584","0.0012","24.1584","0.0012","41.931","0.004","90","","90","","90","","24472","3","150","2","150","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","catena-(octakis(2-Methylpiperidinium) tritriaconta-selenido-tetradeca-gallium-tetra-zinc-di-tin)","","- C48 H112 Ga14 N8 Se33 Sn2 Zn4 -","- C10 Ga14 Se32.98 Sn2 Zn4 -","- C80 Ga112 Se263.84 Sn16 Zn32 -","8","0.25","","Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng","Largest Molecular Clusters in the Supertetrahedral Tn Series","Journal of the American Chemical Society","2010","132","","10823","10831","10.1021/ja102688p","","","0.71073","MoKα","","0.0839","0.0485","","","0.1606","0.1983","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102795","24.0693","0.0003","24.0693","0.0003","42.2601","0.001","90","","90","","90","","24482.6","0.7","150","2","150","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","catena-(octakis(3-Methylpiperidinium) tritriaconta-selenido-tetradeca-gallium-tetra-zinc-di-tin)","","- C48 H112 Ga14 N8 Se33 Sn2 Zn4 -","- Ga14 Se33 Sn2 Zn4 -","- Ga112 Se264 Sn16 Zn32 -","8","0.25","","Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng","Largest Molecular Clusters in the Supertetrahedral Tn Series","Journal of the American Chemical Society","2010","132","","10823","10831","10.1021/ja102688p","","","0.71073","MoKα","","0.1441","0.0732","","","0.2213","0.3099","","","","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102796","18.8019","0.0001","18.8019","0.0001","18.8019","0.0001","90","","90","","90","","6646.69","0.06","150","2","150","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C60 H144 Cu2 Ga16 N12 Se35 Sn2 -","- C60 H144 Cu2 Ga16 N12 Se35 Sn2 -","- C120 H288 Cu4 Ga32 N24 Se70 Sn4 -","2","0.0416667","","Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng","Largest Molecular Clusters in the Supertetrahedral Tn Series","Journal of the American Chemical Society","2010","132","","10823","10831","10.1021/ja102688p","","","0.71073","MoKα","","0.0451","0.0328","","","0.0937","0.1","","","","","","1.087","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102797","18.8951","0.0001","18.8951","0.0001","18.8951","0.0001","90","","90","","90","","6746.02","0.06","150","2","150","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C60 H144 Ga14 N12 Se35 Sn2 Zn4 -","- C60 H144 Ga14 N12 Se35 Sn2 Zn4 -","- C120 H288 Ga28 N24 Se70 Sn4 Zn8 -","2","0.0416667","","Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng","Largest Molecular Clusters in the Supertetrahedral Tn Series","Journal of the American Chemical Society","2010","132","","10823","10831","10.1021/ja102688p","","","0.71073","MoKα","","0.0871","0.0408","","","0.1047","0.1367","","","","","","1.115","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102798","18.8037","0.0003","18.8037","0.0003","18.8037","0.0003","90","","90","","90","","6648.6","0.18","150","2","150","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C60 H144 Ga14 Mn4 N12 Se35 Sn2 -","- C60 H144 Ga14 Mn4 N12 Se35 Sn2 -","- C120 H288 Ga28 Mn8 N24 Se70 Sn4 -","2","0.0416667","","Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng","Largest Molecular Clusters in the Supertetrahedral Tn Series","Journal of the American Chemical Society","2010","132","","10823","10831","10.1021/ja102688p","","","0.71073","MoKα","","0.0729","0.0417","","","0.1143","0.1321","","","","","","1.074","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102799","18.428","0.0003","18.428","0.0003","18.428","0.0003","90","","90","","90","","6257.99","0.18","150","2","150","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C60 H144 Cu2 Ga16 N12 S35 Sn2 -","- C60 H144 Cu2 Ga16 N12 S35 Sn2 -","- C120 H288 Cu4 Ga32 N24 S70 Sn4 -","2","0.0416667","","Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng","Largest Molecular Clusters in the Supertetrahedral Tn Series","Journal of the American Chemical Society","2010","132","","10823","10831","10.1021/ja102688p","","","0.71073","MoKα","","0.0927","0.0538","","","0.1398","0.1697","","","","","","1.045","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102800","18.258","0.0015","18.258","0.0015","18.258","0.0015","90","","90","","90","","6086.4","0.9","150","2","150","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C60 H144 Ga14 N12 S35 Sn2 Zn4 -","- C60 H144 Ga14 N12 S35 Sn2 Zn4 -","- C120 H288 Ga28 N24 S70 Sn4 Zn8 -","2","0.0416667","","Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng","Largest Molecular Clusters in the Supertetrahedral Tn Series","Journal of the American Chemical Society","2010","132","","10823","10831","10.1021/ja102688p","","","0.71073","MoKα","","0.1411","0.0584","","","0.1579","0.2185","","","","","","1.061","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102801","18.3783","0.0011","18.3783","0.0011","18.3783","0.0011","90","","90","","90","","6207.5","0.6","150","2","150","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C60 H144 Ga14 Mn4 N12 S35 Sn2 -","- C60 H144 Ga14 Mn4 N12 S35 Sn2 -","- C120 H288 Ga28 Mn8 N24 S70 Sn4 -","2","0.0416667","","Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng","Largest Molecular Clusters in the Supertetrahedral Tn Series","Journal of the American Chemical Society","2010","132","","10823","10831","10.1021/ja102688p","","","0.71073","MoKα","","0.062","0.0426","","","0.1196","0.1306","","","","","","1.146","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102802","10.122","0.003","21.299","0.006","24.651","0.006","90","","98.052","0.004","90","","5262","3","202","2","202","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H85 Br N O P2 Pd -","- C54 H85 Br N O P2 Pd -","- C216 H340 Br4 N4 O4 P8 Pd4 -","4","1","","Sophie Rousseaux; Serge I. Gorelsky; Benjamin K. W. Chung; Keith Fagnou","Investigation of the Mechanism of C(sp3)-H Bond Cleavage in Pd(0)-Catalyzed Intramolecular Alkane Arylation Adjacent to Amides and Sulfonamides","Journal of the American Chemical Society","2010","132","","10692","10705","10.1021/ja103081n","","","0.71073","MoKα","","0.1093","0.0528","","","0.1199","0.1445","","","","","","1.058","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4102803","7.5448","0.0002","10.5798","0.0004","11.1164","0.0004","90","","90","","90","","887.34","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 N O4 -","- C8 H13 N O4 -","- C32 H52 N4 O16 -","4","1","","Matthew D. Shoulders; Frank W. Kotch; Amit Choudhary; Ilia A. Guzei; Ronald T. Raines","The Aberrance of the 4S Diastereomer of 4-Hydroxyproline","Journal of the American Chemical Society","2010","132","","10857","10865","10.1021/ja103082y","","","1.54178","Cu-Kα","","0.0411","0.0381","","","0.1003","0.1022","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102804","6.377","0.0016","9.552","0.002","10.158","0.003","90","","90.19","0.003","90","","618.8","0.3","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H19 N O5 -","- C11 H19 N O5 -","- C22 H38 N2 O10 -","2","1","","Matthew D. Shoulders; Frank W. Kotch; Amit Choudhary; Ilia A. Guzei; Ronald T. Raines","The Aberrance of the 4S Diastereomer of 4-Hydroxyproline","Journal of the American Chemical Society","2010","132","","10857","10865","10.1021/ja103082y","","","0.71073","Mo-Kα","","0.0312","0.0304","","","0.0767","0.0771","","","","","","1.108","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102805","12.7699","0.0001","13.8445","0.0001","19.5705","0.0001","90","","90","","90","","3459.93","0.04","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 Cl3 Cu2 N2 O4 P2 -","- C33 H33 Cl3 Cu2 N2 O4 P2 -","- C132 H132 Cl12 Cu8 N8 O16 P8 -","4","1","","Jesús García-López; Víctor Yañez-Rodríguez; Laura Roces; Santiago García-Granda; Ana Martínez; Alfredo Guevara-García; German R. Castro; Félix Jiménez-Villacorta; María J. Iglesias; Fernando López Ortiz","Synthesis and Characterization of a Coupled Binuclear CuI/CuIII Complex","Journal of the American Chemical Society","2010","132","","10665","10667","10.1021/ja1034667","","","1.5418","CuKα","","0.0393","0.0359","","","0.1097","0.1178","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102806","50.7473","0.0015","50.7473","","21.4124","0.0007","90","","90","","120","","47755","2","120","2","120","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","","","- C85 H58 Fe N10 O8 -","- C85 H58 Fe N10 O8 -","- C1530 H1044 Fe18 N180 O144 -","18","1","","Ismail Hijazi; Thierry Roisnel; Pascale Even-Hernandez; Eric Furet; Jean-François Halet; Olivier Cador; Bernard Boitrel","Characterization of a Six-Coordinate Ferrous High-Spin Heme with Both Intramolecular Axial Carboxylic Acid and Pyridine","Journal of the American Chemical Society","2010","132","","10652","10653","10.1021/ja103825g","","x-ray","0.71073","MoKα","","0.1452","0.0588","","","0.1466","0.1668","","","","","","0.769","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102807","16.1289","0.0004","17.596","0.0005","17.6291","0.0005","69.242","0.001","69.071","0.001","73.957","0.001","4305.1","0.2","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C87 H62 Cl9 Fe N10 O6 -","- C87 H62 Cl9 Fe N10 O6 -","- C174 H124 Cl18 Fe2 N20 O12 -","2","1","","Ismail Hijazi; Thierry Roisnel; Pascale Even-Hernandez; Eric Furet; Jean-François Halet; Olivier Cador; Bernard Boitrel","Characterization of a Six-Coordinate Ferrous High-Spin Heme with Both Intramolecular Axial Carboxylic Acid and Pyridine","Journal of the American Chemical Society","2010","132","","10652","10653","10.1021/ja103825g","","x-ray","0.71073","MoKα","","0.0807","0.0708","","","0.2088","0.2193","","","","","","1.096","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102808","14.3242","0.0006","16.2707","0.0009","19.9354","0.001","90","","110.157","0.003","90","","4361.7","0.4","100","2","100","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C92 H68 Cl12 Fe N12 O4 S0 -","- C92 H68 Cl12 Fe N12 O4 -","- C184 H136 Cl24 Fe2 N24 O8 -","2","1","","Ismail Hijazi; Thierry Roisnel; Pascale Even-Hernandez; Eric Furet; Jean-François Halet; Olivier Cador; Bernard Boitrel","Characterization of a Six-Coordinate Ferrous High-Spin Heme with Both Intramolecular Axial Carboxylic Acid and Pyridine","Journal of the American Chemical Society","2010","132","","10652","10653","10.1021/ja103825g","","x-ray","0.71073","MoKα","","0.1089","0.0669","","","0.1513","0.1733","","","","","","1.031","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102809","27.612","0.007","19.743","0.004","24.692","0.006","90","","105.944","0.0016","90","","12943","5","123.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H88 Cl2 Fe P2 -","- C104.17 H88 Cl3.09 Fe1.55 P3.15 -","- C833.36 H704 Cl24.72 Fe12.4 P25.2 -","8","1","","Takuji Hatakeyama; Toru Hashimoto; Yoshiyuki Kondo; Yuichi Fujiwara; Hirofumi Seike; Hikaru Takaya; Yoshinori Tamada; Teruo Ono; Masaharu Nakamura","Iron-Catalyzed Suzuki-Miyaura Coupling of Alkyl Halides","Journal of the American Chemical Society","2010","132","","10674","10676","10.1021/ja103973a","","","0.7107","MoKα","","","0.0931","","","","0.3023","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102810","10.7895","0.0005","10.7895","0.0005","72.85","0.007","90","","90","","120","","7344.5","0.9","173","2","173","2","","","","","","","","4","P 61","P 61","169","","","","- C52 H78 N8 O2 -","- C52 H78 N8 O2 -","- C312 H468 N48 O12 -","6","1","","Shunxi Dong; Xiaohua Liu; Xiaohong Chen; Fang Mei; Yulong Zhang; Bo Gao; Lili Lin; Xiaoming Feng","Chiral Bisguanidine-Catalyzed Inverse-Electron-Demand Hetero-Diels-Alder Reaction of Chalcones with Azlactones","Journal of the American Chemical Society","2010","132","","10650","10651","10.1021/ja1046928","","","0.71073","MoKα","","0.0858","0.083","","","0.2018","0.2034","","","","","","1.236","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102811","11.845","0.003","10.783","0.002","12.35","0.003","90","","117.8","0.03","90","","1395.3","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H26 Cl3 N O3 -","- C32 H26 Cl3 N O3 -","- C64 H52 Cl6 N2 O6 -","2","1","","Shunxi Dong; Xiaohua Liu; Xiaohong Chen; Fang Mei; Yulong Zhang; Bo Gao; Lili Lin; Xiaoming Feng","Chiral Bisguanidine-Catalyzed Inverse-Electron-Demand Hetero-Diels-Alder Reaction of Chalcones with Azlactones","Journal of the American Chemical Society","2010","132","","10650","10651","10.1021/ja1046928","","","0.71073","MoKα","","0.0736","0.0636","","","0.1198","0.1265","","","","","","1.098","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102812","9.3195","0.0011","10.599","0.0012","24.308","0.003","90","","90","","90","","2401.1","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 N O3 -","- C31 H25 N O3 -","- C124 H100 N4 O12 -","4","1","","Shunxi Dong; Xiaohua Liu; Xiaohong Chen; Fang Mei; Yulong Zhang; Bo Gao; Lili Lin; Xiaoming Feng","Chiral Bisguanidine-Catalyzed Inverse-Electron-Demand Hetero-Diels-Alder Reaction of Chalcones with Azlactones","Journal of the American Chemical Society","2010","132","","10650","10651","10.1021/ja1046928","","","1.54186","CuKα","","0.0332","0.031","","","0.0729","0.0737","","","","","","1.143","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102813","6.2174","0.0003","9.1621","0.0005","10.3772","0.0006","68.885","0.002","72.909","0.001","71.408","0.002","511.84","0.05","100","2","100","2","","","","","","","syntheszed","4","P 1","P 1","1","","","","- C22 H29 B O4 -","- C22 H29 B O4 -","- C22 H29 B O4 -","1","1","","Jeannette M. O'Brien; Kang-sang Lee; Amir H. Hoveyda","Enantioselective Synthesis of Boron-Substituted Quaternary Carbons by NHC-Cu-Catalyzed Boronate Conjugate Additions to Unsaturated Carboxylic Esters, Ketones, or Thioesters","Journal of the American Chemical Society","2010","132","","10630","10633","10.1021/ja104777u","","x-ray","1.54178","CuKα","","0.0361","0.0361","","","0.0857","0.0857","","","","","","1.169","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102814","11.0774","0.0002","17.1476","0.0003","20.9494","0.0004","90","","102.081","0.001","90","","3891.22","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 B Br O4 -","- C18 H26 B Br O4 -","- C144 H208 B8 Br8 O32 -","8","4","","Jeannette M. O'Brien; Kang-sang Lee; Amir H. Hoveyda","Enantioselective Synthesis of Boron-Substituted Quaternary Carbons by NHC-Cu-Catalyzed Boronate Conjugate Additions to Unsaturated Carboxylic Esters, Ketones, or Thioesters","Journal of the American Chemical Society","2010","132","","10630","10633","10.1021/ja104777u","","","0.71073","MoKα","","0.0327","0.0292","","","0.0695","0.0709","","","","","","1.043","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4102815","8.499","0.0017","8.572","0.0017","8.883","0.0018","117.05","0.03","97.77","0.03","107.32","0.03","521.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","ZHAO1770","","","- C12 H38 B4 N2 O6 -","- C12 H38 B4 N2 O6 -","- C12 H38 B4 N2 O6 -","1","0.5","","Xuenian Chen; Ji-Cheng Zhao; Sheldon G. Shore","Facile Synthesis of Aminodiborane and Inorganic Butane Analogue NH3BH2NH2BH3","Journal of the American Chemical Society","2010","132","","10658","10659","10.1021/ja104938v","","","0.71073","MoKα","","0.0655","0.046","","","0.116","0.1293","","","","","","1.042","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102816","8.872","0.0018","11.618","0.002","18.212","0.004","90","","90","","90","","1877.2","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ZHAO1785","","","- C12 H34 B2 N2 O6 -","- C12 H34 B2 N2 O6 -","- C48 H136 B8 N8 O24 -","4","1","","Xuenian Chen; Ji-Cheng Zhao; Sheldon G. Shore","Facile Synthesis of Aminodiborane and Inorganic Butane Analogue NH3BH2NH2BH3","Journal of the American Chemical Society","2010","132","","10658","10659","10.1021/ja104938v","","","0.71073","MoKα","","0.0373","0.0317","","","0.0805","0.0838","","","","","","1.04","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102817","11.8006","0.0003","12.2935","0.0003","18.6776","0.0003","104.238","0.0013","106.01","0.0014","95.319","0.0012","2486.72","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H28 B2 F30 N O2 -","- C46 H21 B2 F30 N O2 -","- C92 H42 B4 F60 N2 O4 -","2","1","","Andreas Berkefeld; Warren E. Piers; Masood Parvez","Tandem Frustrated Lewis Pair/Tris(pentafluorophenyl)borane-Catalyzed Deoxygenative Hydrosilylation of Carbon Dioxide","Journal of the American Chemical Society","2010","132","","10660","10661","10.1021/ja105320c","","","0.71073","MoKα","","0.0634","0.0514","","","0.1374","0.1468","","","","","","1.039","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102818","11.2808","0.0002","11.2845","0.0002","17.7672","0.0004","74.0704","0.0012","83.6967","0.0009","63.4121","0.0011","1944.66","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.5 H38.5 B Cl1.5 F15 N2 O2 -","- C37.5 H38.5 B Cl1.5 F15 N2 O2 -","- C75 H77 B2 Cl3 F30 N4 O4 -","2","1","","Andreas Berkefeld; Warren E. Piers; Masood Parvez","Tandem Frustrated Lewis Pair/Tris(pentafluorophenyl)borane-Catalyzed Deoxygenative Hydrosilylation of Carbon Dioxide","Journal of the American Chemical Society","2010","132","","10660","10661","10.1021/ja105320c","","","0.71073","MoKα","","0.058","0.05","","","0.128","0.136","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102819","13.5551","0.0011","14.9735","0.0012","16.5943","0.0014","84.728","0.002","70.008","0.001","75.54","0.001","3064.8","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H50 Cl14 N2 O8 Pt2 -","- C50 H50 Cl14 N2 O8 Pt2 -","- C100 H100 Cl28 N4 O16 Pt4 -","2","1","","Amedeo Santoro; Marcin Wegrzyn; Adrian C. Whitwood; Bertrand Donnio; Duncan W. Bruce","Oxidation of Organoplatinum(II) by Coordinated Dimethylsulfoxide: Metal-Metal Bonded, Dinuclear, Liquid-Crystalline Complexes of Platinum(III)","Journal of the American Chemical Society","2010","132","","10689","10691","10.1021/ja105469a","","","0.71073","MoKα","","0.0582","0.0399","","","0.1027","0.1138","","","","","","1.047","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4102820","8.6644","0.0005","14.861","0.0009","16.4746","0.001","90","","97.4774","0.0007","90","","2103.3","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Cl O Sc -","- C22 H34 Cl O Sc -","- C88 H136 Cl4 O4 Sc4 -","4","1","","Selvan Demir; Sara E. Lorenz; Ming Fang; Filipp Furche; Gerd Meyer; Joseph W. Ziller; William J. Evans","Synthesis, Structure, and Density Functional Theory Analysis of a Scandium Dinitrogen Complex, [(C5Me4H)2Sc]2(μ-η2:η2-N2)","Journal of the American Chemical Society","2010","132","","11151","11158","10.1021/ja102681w","","","0.71073","MoKα","","0.0382","0.0333","","","0.0875","0.0913","","","","","","1.034","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102821","8.7813","0.0008","14.7244","0.0013","14.1177","0.0013","90","","92.186","0.002","90","","1824.1","0.3","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H31 Sc -","- C21 H31 Sc -","- C84 H124 Sc4 -","4","1","","Selvan Demir; Sara E. Lorenz; Ming Fang; Filipp Furche; Gerd Meyer; Joseph W. Ziller; William J. Evans","Synthesis, Structure, and Density Functional Theory Analysis of a Scandium Dinitrogen Complex, [(C5Me4H)2Sc]2(μ-η2:η2-N2)","Journal of the American Chemical Society","2010","132","","11151","11158","10.1021/ja102681w","","","0.71073","MoKα","","0.0324","0.0282","","","0.0767","0.0798","","","","","","1.037","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102822","11.8363","0.0013","11.9868","0.0013","12.408","0.0013","100.45","0.002","98.128","0.002","100.555","0.002","1674","0.3","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 B Sc -","- C42 H46 B Sc -","- C84 H92 B2 Sc2 -","2","1","","Selvan Demir; Sara E. Lorenz; Ming Fang; Filipp Furche; Gerd Meyer; Joseph W. Ziller; William J. Evans","Synthesis, Structure, and Density Functional Theory Analysis of a Scandium Dinitrogen Complex, [(C5Me4H)2Sc]2(μ-η2:η2-N2)","Journal of the American Chemical Society","2010","132","","11151","11158","10.1021/ja102681w","","","0.71073","MoKα","","0.107","0.0517","","","0.1023","0.1239","","","","","","1.01","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102823","8.4928","0.0009","10.101","0.001","18.458","0.0018","90","","90.339","0.001","90","","1583.4","0.3","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 N2 Sc2 -","- C36 H52 N2 Sc2 -","- C72 H104 N4 Sc4 -","2","0.5","","Selvan Demir; Sara E. Lorenz; Ming Fang; Filipp Furche; Gerd Meyer; Joseph W. Ziller; William J. Evans","Synthesis, Structure, and Density Functional Theory Analysis of a Scandium Dinitrogen Complex, [(C5Me4H)2Sc]2(μ-η2:η2-N2)","Journal of the American Chemical Society","2010","132","","11151","11158","10.1021/ja102681w","","","0.71073","MoKα","","0.0406","0.0327","","","0.0838","0.0885","","","","","","1.024","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4102824","8.837","0.0014","21.042","0.003","17.909","0.003","90","","91.485","0.002","90","","3329","0.9","148","2","148","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C72 H104 N2 O Sc4 -","- C72 H104 N2 O Sc4 -","- C144 H208 N4 O2 Sc8 -","2","1","","Selvan Demir; Sara E. Lorenz; Ming Fang; Filipp Furche; Gerd Meyer; Joseph W. Ziller; William J. Evans","Synthesis, Structure, and Density Functional Theory Analysis of a Scandium Dinitrogen Complex, [(C5Me4H)2Sc]2(μ-η2:η2-N2)","Journal of the American Chemical Society","2010","132","","11151","11158","10.1021/ja102681w","","","0.71073","MoKα","","0.1125","0.0675","","","0.1437","0.1647","","","","","","1.012","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102825","9.7378","0.0012","16.16","0.002","19.357","0.002","74.762","0.004","78.464","0.004","87.099","0.004","2879.6","0.6","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C101 H180 F12 Mn2 N4 O12 Sb2 -","- C101 H180 F12 Mn2 N4 O12 Sb2 -","- C101 H180 F12 Mn2 N4 O12 Sb2 -","1","1","","M. Kevin Brown; Megan M. Blewett; James R. Colombe; E. J. Corey","Mechanism of the Enantioselective Oxidation of Racemic Secondary Alcohols Catalyzed by Chiral Mn(III)-Salen Complexes","Journal of the American Chemical Society","2010","132","","11165","11170","10.1021/ja103103d","","","0.71073","MoKα","","0.0374","0.0335","","","0.0701","0.0719","","","","","","1.097","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4102826","15.596","0.001","15.596","0.001","12.165","0.001","90","","90","","90","","2959","0.4","150","0.1","150","0.1","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H60 Cu4 I4 P4 -","- C60 H60 Cu4 I4 P4 -","- C120 H120 Cu8 I8 P8 -","2","0.25","","Sandrine Perruchas; Xavier F. Le Goff; Sébastien Maron; Isabelle Maurin; François Guillen; Alain Garcia; Thierry Gacoin; Jean-Pierre Boilot","Mechanochromic and Thermochromic Luminescence of a Copper Iodide Cluster","Journal of the American Chemical Society","2010","132","","10967","10969","10.1021/ja103431d","","","0.71069","MoKα","","0.0281","0.0234","","","0.0468","0.0482","","","","","","1.02","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102827","11.9884","0.0003","10.6312","0.0003","11.4497","0.0003","90","","110.779","0.003","90","","1364.36","0.07","123","","123","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N3 O -","- C14 H19 N3 O -","- C56 H76 N12 O4 -","4","1","","Roland Kleinmaier; Max Keller; Patrick Igel; Armin Buschauer; Ruth M. Gschwind","Conformations, Conformational Preferences, and Conformational Exchange of N'-Substituted N-Acylguanidines: Intermolecular Interactions Hold the Key","Journal of the American Chemical Society","2010","132","","11223","11233","10.1021/ja103756y","","x-ray","1.54184","CuKα","","0.0467","0.0377","","","0.0982","0.1024","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102828","7.4161","0.0005","8.3883","0.0006","12.2595","0.0009","89.462","0.006","85.558","0.006","75.247","0.006","735.24","0.09","123","","123","","","","","","","","see text","5","P -1","-P 1","2","","","","- C13 H20 Cl N3 O2 -","- C13 H20 Cl N3 O2 -","- C26 H40 Cl2 N6 O4 -","2","1","","Roland Kleinmaier; Max Keller; Patrick Igel; Armin Buschauer; Ruth M. Gschwind","Conformations, Conformational Preferences, and Conformational Exchange of N'-Substituted N-Acylguanidines: Intermolecular Interactions Hold the Key","Journal of the American Chemical Society","2010","132","","11223","11233","10.1021/ja103756y","","x-ray","1.54184","CuKα","","0.0351","0.0322","","","0.0867","0.0889","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102829","9.0041","0.0004","11.0498","0.0005","12.8215","0.0006","80.593","0.001","89.867","0.001","82.296","0.001","1246.89","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","krace01","","","- C24 H20 P2 Pb Se4 -","- C24 H20 P2 Pb Se4 -","- C48 H40 P4 Pb2 Se8 -","2","1","","Christopher M. Evans; Meagan E. Evans; Todd D. Krauss","Mysteries of TOPSe Revealed: Insights into Quantum Dot Nucleation","Journal of the American Chemical Society","2010","132","","10973","10975","10.1021/ja103805s","","","0.71073","MoKα","","0.0649","0.0393","","","0.0697","0.0778","","","","","","0.968","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102830","10.727","0.001","9.2844","0.0007","14.794","0.001","90","","90","","90","","1473.4","0.2","295","2","295","","","","","","","","By decomposition of Ba~8~Ge~43~ at 400 \%C","2","P m n a","-P 2ac 2","53","","","","- Ba Ge5 -","- Ba Ge5 -","- Ba10 Ge50 -","10","1.25","","Umut Aydemir; Lev Akselrud; Wilder Carrillo-Cabrera; Christophe Candolfi; Niels Oeschler; Michael Baitinger; Frank Steglich; Yuri Grin","BaGe5: A New Type of Intermetallic Clathrate","Journal of the American Chemical Society","2010","132","","10984","10985","10.1021/ja104197c","powder diffraction","","0.35415","synchrotron","","","","","","","","","0.066","1.7","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102831","9.4996","0.0007","20.2853","0.0015","12.898","0.001","90","","109.21","0.001","90","","2347.1","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H62 Cl3 N O P2 Pd -","- C51 H62 Cl3 N O P2 Pd -","- C102 H124 Cl6 N2 O2 P4 Pd2 -","2","1","","Xiaoqiang Shen; Gavin O. Jones; Donald A. Watson; Brijesh Bhayana; Stephen L. Buchwald","Enantioselective Synthesis of Axially Chiral Biaryls by the Pd-Catalyzed Suzuki-Miyaura Reaction: Substrate Scope and Quantum Mechanical Investigations","Journal of the American Chemical Society","2010","132","","11278","11287","10.1021/ja104297g","","","0.71073","MoKα","","0.0429","0.0366","","","0.0572","0.0587","","","","","","1.509","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102832","9.2517","0.0008","10.7629","0.001","19.7165","0.0017","90","","90","","90","","1963.3","0.3","101","2","101","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 O P -","- C23 H27 O P -","- C92 H108 O4 P4 -","4","1","","Xiaoqiang Shen; Gavin O. Jones; Donald A. Watson; Brijesh Bhayana; Stephen L. Buchwald","Enantioselective Synthesis of Axially Chiral Biaryls by the Pd-Catalyzed Suzuki-Miyaura Reaction: Substrate Scope and Quantum Mechanical Investigations","Journal of the American Chemical Society","2010","132","","11278","11287","10.1021/ja104297g","","","0.71073","MoKα","","0.0447","0.0395","","","0.1024","0.1067","","","","","","1.034","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4102833","7.721","0.0002","16.4788","0.0004","17.0606","0.0004","90","","99.512","0.001","90","","2140.82","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H27 N O -","- C28 H27 N O -","- C112 H108 N4 O4 -","4","2","","Xiaoqiang Shen; Gavin O. Jones; Donald A. Watson; Brijesh Bhayana; Stephen L. Buchwald","Enantioselective Synthesis of Axially Chiral Biaryls by the Pd-Catalyzed Suzuki-Miyaura Reaction: Substrate Scope and Quantum Mechanical Investigations","Journal of the American Chemical Society","2010","132","","11278","11287","10.1021/ja104297g","","","1.54178","CuKα","","0.0281","0.0278","","","0.0735","0.0737","","","","","","1.034","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102834","8.0348","0.0016","8.7388","0.0017","14.579","0.003","87.51","0.03","77.91","0.03","89.79","0.03","1000","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H24 O8 -","- C24 H24 O8 -","- C48 H48 O16 -","2","1","","K. C. Nicolaou; Jianhua Wang; Yefeng Tang; Lorenzo Botta","Total Synthesis of Sporolide B and 9-epi-Sporolide B","Journal of the American Chemical Society","2010","132","","11350","11363","10.1021/ja1048994","","","0.71073","MoKα","","0.1205","0.0549","","","0.1329","0.1625","","","","","","0.985","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102835","8.0648","0.0016","10.074","0.002","18.524","0.004","105.62","0.03","91.61","0.03","108.26","0.03","1366","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H32 O8 -","- C32 H32 O8 -","- C64 H64 O16 -","2","1","","K. C. Nicolaou; Jianhua Wang; Yefeng Tang; Lorenzo Botta","Total Synthesis of Sporolide B and 9-epi-Sporolide B","Journal of the American Chemical Society","2010","132","","11350","11363","10.1021/ja1048994","","","0.71073","MoKα","","0.0746","0.0562","","","0.1315","0.1417","","","","","","1.07","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102836","8.8015","0.0018","9.3256","0.0019","12.532","0.003","80.73","0.03","83.4","0.03","81.91","0.03","1000.6","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H24 O6 -","- C24 H24 O6 -","- C48 H48 O12 -","2","1","","K. C. Nicolaou; Jianhua Wang; Yefeng Tang; Lorenzo Botta","Total Synthesis of Sporolide B and 9-epi-Sporolide B","Journal of the American Chemical Society","2010","132","","11350","11363","10.1021/ja1048994","","","0.71073","MoKα","","0.0701","0.0575","","","0.1457","0.1554","","","","","","1.06","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4102837","18.1","0.006","18.1","0.006","15.019","0.008","90","","90","","90","","4920","3","174","2","174","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C38 H80 Mo P4 Pt2 Si2 -","- C38 H80 Mo P4 Pt2 Si2 -","- C152 H320 Mo4 P16 Pt8 Si8 -","4","0.5","","Holger Braunschweig; Peter Brenner; Manuela Gross; Krzysztof Radacki","Reactivity of [1],[1]Disilamolybdenocenophane toward Zerovalent Platinum Complexes","Journal of the American Chemical Society","2010","132","","11343","11349","10.1021/ja1049548","","","0.71073","MoKα","","0.0354","0.0288","","","0.0659","0.0702","","","","","","1.148","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102838","38.232","0.002","13.6822","0.0007","20.0104","0.0011","90","","96.374","0.003","90","","10402.7","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C103.5 H176 Mo2 P4 Pt4 Si4 -","- C103.5 H176 Mo2 P4 Pt4 Si4 -","- C414 H704 Mo8 P16 Pt16 Si16 -","4","1","","Holger Braunschweig; Peter Brenner; Manuela Gross; Krzysztof Radacki","Reactivity of [1],[1]Disilamolybdenocenophane toward Zerovalent Platinum Complexes","Journal of the American Chemical Society","2010","132","","11343","11349","10.1021/ja1049548","","","0.71073","MoKα","","0.0737","0.0441","","","0.0806","0.0896","","","","","","1.093","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102839","9.4347","0.0011","11.0663","0.0012","16.4581","0.0019","72.678","0.003","85.306","0.004","78.765","0.003","1608.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H53 Mo P Pt Si2 -","- C32 H53 Mo P Pt Si2 -","- C64 H106 Mo2 P2 Pt2 Si4 -","2","1","","Holger Braunschweig; Peter Brenner; Manuela Gross; Krzysztof Radacki","Reactivity of [1],[1]Disilamolybdenocenophane toward Zerovalent Platinum Complexes","Journal of the American Chemical Society","2010","132","","11343","11349","10.1021/ja1049548","","","0.71073","MoKα","","0.0221","0.0215","","","0.0526","0.0531","","","","","","1.047","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102840","9.1633","0.0012","11.3828","0.0016","16.167","0.002","93.76","0.006","99.869","0.005","104.304","0.006","1599.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H53 Mo P Pt Si2 -","- C32 H53 Mo P Pt Si2 -","- C64 H106 Mo2 P2 Pt2 Si4 -","2","1","","Holger Braunschweig; Peter Brenner; Manuela Gross; Krzysztof Radacki","Reactivity of [1],[1]Disilamolybdenocenophane toward Zerovalent Platinum Complexes","Journal of the American Chemical Society","2010","132","","11343","11349","10.1021/ja1049548","","","0.71073","MoKα","","0.0229","0.0206","","","0.0514","0.0525","","","","","","1.056","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102841","7.542","0.003","12.024","0.005","19.024","0.009","86.392","0.014","81.246","0.015","86.001","0.015","1698.5","1.3","200","2","200","2","","","","","","","","2","P -1","-P 1","2","","","","- C88 H98 -","- C88 H98 -","- C88 H98 -","1","0.5","","Akihito Konishi; Yasukazu Hirao; Masayoshi Nakano; Akihiro Shimizu; Edith Botek; Benoît Champagne; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Kouzou Matsumoto; Hiroyuki Kurata; Takashi Kubo","Synthesis and Characterization of Teranthene: A Singlet Biradical Polycyclic Aromatic Hydrocarbon Having Kekulé Structures","Journal of the American Chemical Society","2010","132","","11021","11023","10.1021/ja1049737","","","0.71075","MoKα","","0.0917","0.0567","","","0.1734","0.1969","","","","","","1.086","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102842","10.8506","0.0018","13.267","0.002","17.997","0.003","90","","90","","90","","2590.8","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 N O4 -","- C32 H29 N O4 -","- C128 H116 N4 O16 -","4","1","","Yvette S. Mimieux Vaske; Maximillian E. Mahoney; Joseph P. Konopelski; David L. Rogow; William J. McDonald","Enantiomerically Puretrans-β-Lactams from α-Amino Acids via Compact Fluorescent Light (CFL) Continuous-Flow Photolysis","Journal of the American Chemical Society","2010","132","","11379","11385","10.1021/ja1050023","","","0.71073","MoKα","","0.0434","0.0341","","","0.071","0.0753","","","","","","1.021","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102843","9.51","0.003","11.941","0.006","23.992","0.008","90","","92.13","0.03","90","","2722.6","1.9","133","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H31 N2 O4 -","- C33 H31 N2 O4 -","- C132 H124 N8 O16 -","4","2","","Yvette S. Mimieux Vaske; Maximillian E. Mahoney; Joseph P. Konopelski; David L. Rogow; William J. McDonald","Enantiomerically Puretrans-β-Lactams from α-Amino Acids via Compact Fluorescent Light (CFL) Continuous-Flow Photolysis","Journal of the American Chemical Society","2010","132","","11379","11385","10.1021/ja1050023","","","0.71073","MoKα","","0.0698","0.0447","","","0.0892","0.1004","","","","","","1.009","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102844","7.76","0.013","10.958","0.019","15.61","0.03","90","","99.559","0.016","90","","1309","4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H33 N2 O4 -","- C33 H33 N2 O4 -","- C66 H66 N4 O8 -","2","1","","Yvette S. Mimieux Vaske; Maximillian E. Mahoney; Joseph P. Konopelski; David L. Rogow; William J. McDonald","Enantiomerically Puretrans-β-Lactams from α-Amino Acids via Compact Fluorescent Light (CFL) Continuous-Flow Photolysis","Journal of the American Chemical Society","2010","132","","11379","11385","10.1021/ja1050023","","","0.71073","MoKα","","0.0306","0.0285","","","0.0685","0.07","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102845","9.3264","0.0014","14.781","0.002","18.711","0.003","90","","90","","90","","2579.4","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N4 O5 -","- C28 H29 N4 O5 -","- C112 H116 N16 O20 -","4","1","","Yvette S. Mimieux Vaske; Maximillian E. Mahoney; Joseph P. Konopelski; David L. Rogow; William J. McDonald","Enantiomerically Puretrans-β-Lactams from α-Amino Acids via Compact Fluorescent Light (CFL) Continuous-Flow Photolysis","Journal of the American Chemical Society","2010","132","","11379","11385","10.1021/ja1050023","","","0.71073","MoKα","","0.0431","0.0385","","","0.0986","0.1024","","","","","","1.066","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102846","24.534","0.006","9.96","0.003","12.424","0.003","90","","90","","90","","3035.9","1.4","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C38 H36 N2 O4 -","- C38 H36 N2 O4 -","- C152 H144 N8 O16 -","4","1","","Yvette S. Mimieux Vaske; Maximillian E. Mahoney; Joseph P. Konopelski; David L. Rogow; William J. McDonald","Enantiomerically Puretrans-β-Lactams from α-Amino Acids via Compact Fluorescent Light (CFL) Continuous-Flow Photolysis","Journal of the American Chemical Society","2010","132","","11379","11385","10.1021/ja1050023","","","0.71073","MoKα","","0.0443","0.0364","","","0.0845","0.0886","","","","","","1.136","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102847","13.602","0.003","14.663","0.003","14.029","0.003","90","","95.01","0.03","90","","2787.3","1","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 B N2 O2 S -","- C29 H41 B N2 O2 S -","- C116 H164 B4 N8 O8 S4 -","4","1","","Hao Wang; Jianying Zhang; Hongfan Hu; Chunming Cui","Access to B=S and B=Se Double Bonds via Sulfur and Selenium Insertion into a B-H Bond and Hydrogen Migration","Journal of the American Chemical Society","2010","132","","10998","10999","10.1021/ja105021d","","","0.71073","MoKα","","0.1043","0.096","","","0.2611","0.2708","","","","","","1.152","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4102848","13.375","0.007","14.196","0.008","14.971","0.008","90","","90.145","0.007","90","","2843","3","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 B N2 O2 Se -","- C29 H41 B N2 O2 Se -","- C116 H164 B4 N8 O8 Se4 -","4","1","","Hao Wang; Jianying Zhang; Hongfan Hu; Chunming Cui","Access to B=S and B=Se Double Bonds via Sulfur and Selenium Insertion into a B-H Bond and Hydrogen Migration","Journal of the American Chemical Society","2010","132","","10998","10999","10.1021/ja105021d","","","0.71073","MoKα","","0.0633","0.0566","","","0.1434","0.1498","","","","","","1.045","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4102849","10.096","0.008","11.064","0.01","11.9103","0.0014","89.107","0.008","78.26","0.008","75.326","0.007","1259.2","1.5","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H14 Fe -","- C16 H14 Fe -","- C64 H56 Fe4 -","4","2","","Joseph M. O'Connor; Kim K. Baldridge; Betsy L. Rodgers; Marissa Aubrey; Ryan L. Holland; W. Scott Kassel; Arnold L. Rheingold","A Photochemical Metallocene Route to Anionic Enediynes: Synthesis, Solid-State Structures, and ab Initio Computations on Cyclopentadienidoenediynes","Journal of the American Chemical Society","2010","132","","11030","11032","10.1021/ja105149k","","","0.71073","MoKα","","0.0546","0.0427","","","0.1055","0.1129","","","","","","1.033","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102850","12.3912","0.0008","18.543","0.0012","19.2709","0.0012","91.317","0.001","105.934","0.001","95.163","0.001","4235.2","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 Fe O2 -","- C28 H18 Fe O2 -","- C224 H144 Fe8 O16 -","8","4","","Joseph M. O'Connor; Kim K. Baldridge; Betsy L. Rodgers; Marissa Aubrey; Ryan L. Holland; W. Scott Kassel; Arnold L. Rheingold","A Photochemical Metallocene Route to Anionic Enediynes: Synthesis, Solid-State Structures, and ab Initio Computations on Cyclopentadienidoenediynes","Journal of the American Chemical Society","2010","132","","11030","11032","10.1021/ja105149k","","","0.71073","MoKα","","0.0377","0.0334","","","0.0872","0.0895","","","","","","1.079","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102851","10.2259","0.0006","11.7586","0.0007","13.5232","0.0008","100.77","0.001","103.04","0.001","94.48","0.001","1543.89","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 Fe O4 -","- C18 H14 Fe O4 -","- C72 H56 Fe4 O16 -","4","2","","Joseph M. O'Connor; Kim K. Baldridge; Betsy L. Rodgers; Marissa Aubrey; Ryan L. Holland; W. Scott Kassel; Arnold L. Rheingold","A Photochemical Metallocene Route to Anionic Enediynes: Synthesis, Solid-State Structures, and ab Initio Computations on Cyclopentadienidoenediynes","Journal of the American Chemical Society","2010","132","","11030","11032","10.1021/ja105149k","","","0.71073","MoKα","","0.0349","0.0306","","","0.0759","0.0786","","","","","","1.028","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102852","13.2416","0.001","17.3908","0.0013","23.0341","0.0017","90","","90.8","0.001","90","","5303.8","0.7","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C69 H57 Fe O2 P3 -","- C69 H57 Fe O2 P3 -","- C276 H228 Fe4 O8 P12 -","4","2","","Joseph M. O'Connor; Kim K. Baldridge; Betsy L. Rodgers; Marissa Aubrey; Ryan L. Holland; W. Scott Kassel; Arnold L. Rheingold","A Photochemical Metallocene Route to Anionic Enediynes: Synthesis, Solid-State Structures, and ab Initio Computations on Cyclopentadienidoenediynes","Journal of the American Chemical Society","2010","132","","11030","11032","10.1021/ja105149k","","","0.71073","MoKα","","0.0483","0.0407","","","0.0951","0.0988","","","","","","1.019","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102853","9.9968","0.0005","25.255","0.0012","22.4254","0.0011","90","","96.173","0.001","90","","5628.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H53 Fe O4 P3 -","- C59 H53 Fe O4 P3 -","- C236 H212 Fe4 O16 P12 -","4","1","","Joseph M. O'Connor; Kim K. Baldridge; Betsy L. Rodgers; Marissa Aubrey; Ryan L. Holland; W. Scott Kassel; Arnold L. Rheingold","A Photochemical Metallocene Route to Anionic Enediynes: Synthesis, Solid-State Structures, and ab Initio Computations on Cyclopentadienidoenediynes","Journal of the American Chemical Society","2010","132","","11030","11032","10.1021/ja105149k","","","0.71073","MoKα","","0.0713","0.0587","","","0.1575","0.1633","","","","","","1.088","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102854","8.487","0.009","11.047","0.012","15.467","0.017","102.312","0.015","97.659","0.015","90.56","0.016","1403","3","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 Cl2 N4 O6 S2 -","- C24 H30 Cl2 N4 O6 S2 -","- C48 H60 Cl4 N8 O12 S4 -","2","1","","Xiaohua Li; Samuel J. Danishefsky","Cyclobutenone as a Highly Reactive Dienophile: Expanding Upon Diels-Alder Paradigms","Journal of the American Chemical Society","2010","132","","11004","11005","10.1021/ja1056888","","","0.71073","MoKα","","0.5785","0.1455","","","0.2807","0.4383","","","","","","0.867","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102855","6.946","0.0006","8.9632","0.0008","10.3522","0.0009","90","","90","","90","","644.51","0.1","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 O2 -","- C8 H8 O2 -","- C32 H32 O8 -","4","1","","Xiaohua Li; Samuel J. Danishefsky","Cyclobutenone as a Highly Reactive Dienophile: Expanding Upon Diels-Alder Paradigms","Journal of the American Chemical Society","2010","132","","11004","11005","10.1021/ja1056888","","","0.71073","MoKα","","0.0368","0.0347","","","0.0911","0.0933","","","","","","1.069","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102856","16.6571","0.0015","10.4157","0.0009","19.8332","0.0018","90","","90","","90","","3441","0.5","125","2","125","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C192 H144 O16 -","8","1","","Xiaohua Li; Samuel J. Danishefsky","Cyclobutenone as a Highly Reactive Dienophile: Expanding Upon Diels-Alder Paradigms","Journal of the American Chemical Society","2010","132","","11004","11005","10.1021/ja1056888","","","0.71073","MoKα","","0.0635","0.0482","","","0.1174","0.1254","","","","","","1.111","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4102857","18.042","0.003","9.7546","0.0014","18.24","0.003","90","","113.561","0.003","90","","2942.5","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 -","- C19 H18 N2 -","- C152 H144 N16 -","8","2","","Hao Shen; Zuowei Xie","Atom-Economical Synthesis of N-Heterocycles via Cascade Inter-/Intramolecular C-N Bond-Forming Reactions Catalyzed by Ti Amides","Journal of the American Chemical Society","2010","132","","11473","11480","10.1021/ja101796k","","","0.71073","MoKα","","0.1131","0.0539","","","0.1326","0.1746","","","","","","1.006","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102858","10.187","0.005","15.423","0.008","9.57","0.005","90","","90","","90","","1503.6","1.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","Hao Shen; Zuowei Xie","Atom-Economical Synthesis of N-Heterocycles via Cascade Inter-/Intramolecular C-N Bond-Forming Reactions Catalyzed by Ti Amides","Journal of the American Chemical Society","2010","132","","11473","11480","10.1021/ja101796k","","","0.71073","MoKα","","0.0555","0.0395","","","0.1007","0.1134","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102859","20.1718","0.0006","5.8933","0.0002","27.0472","0.0008","90","","100.746","0.001","90","","3158.94","0.17","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N2 -","- C20 H20 N2 -","- C160 H160 N16 -","8","1","","Hao Shen; Zuowei Xie","Atom-Economical Synthesis of N-Heterocycles via Cascade Inter-/Intramolecular C-N Bond-Forming Reactions Catalyzed by Ti Amides","Journal of the American Chemical Society","2010","132","","11473","11480","10.1021/ja101796k","","","0.71073","MoKα","","0.1032","0.0583","","","0.1733","0.217","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102860","19.3","0.03","51.31","0.07","5.903","0.008","90","","90","","90","","5846","14","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C272 H256 N32 -","16","1","","Hao Shen; Zuowei Xie","Atom-Economical Synthesis of N-Heterocycles via Cascade Inter-/Intramolecular C-N Bond-Forming Reactions Catalyzed by Ti Amides","Journal of the American Chemical Society","2010","132","","11473","11480","10.1021/ja101796k","","","0.71073","MoKα","","0.1357","0.0511","","","0.1022","0.1318","","","","","","0.996","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102861","19.342","0.001","17.36","0.001","12.514","0.001","90","","90","","90","","4201.9","0.5","50","","50","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H52 B2 Cu2 F8 N8 O4 -","- C36 H52 B2 Cu2 F8 N8 O4 -","- C144 H208 B8 Cu8 F32 N32 O16 -","4","0.5","","Atsushi Okazawa; Daisuke Hashizume; Takayuki Ishida","Ferro- and Antiferromagnetic Coupling Switch Accompanied by Twist Deformation around the Copper(II) and Nitroxide Coordination Bond","Journal of the American Chemical Society","2010","132","","11516","11524","10.1021/ja102163d","","","0.61792","synchrotron","","0.0667","0.0411","","","0.0937","0.114","","","","","","1.026","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102862","20.012","0.001","17.27","0.001","12.711","0.001","90","","90","","90","","4393","0.5","300","","300","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H52 B2 Cu2 F8 N8 O4 -","- C36 H52 B2 Cu2 F8 N8 O4 -","- C144 H208 B8 Cu8 F32 N32 O16 -","4","0.5","","Atsushi Okazawa; Daisuke Hashizume; Takayuki Ishida","Ferro- and Antiferromagnetic Coupling Switch Accompanied by Twist Deformation around the Copper(II) and Nitroxide Coordination Bond","Journal of the American Chemical Society","2010","132","","11516","11524","10.1021/ja102163d","","","0.6869","synchrotron","","0.0716","0.0565","","","0.1527","0.1696","","","","","","1.087","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102863","19.771","0.015","17.178","0.015","12.672","0.011","90","","90","","90","","4304","6","90","","90","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H52 Cl2 Cu2 N8 O12 -","- C36 H52 Cl2 Cu2 N8 O12 -","- C144 H208 Cl8 Cu8 N32 O48 -","4","0.5","","Atsushi Okazawa; Daisuke Hashizume; Takayuki Ishida","Ferro- and Antiferromagnetic Coupling Switch Accompanied by Twist Deformation around the Copper(II) and Nitroxide Coordination Bond","Journal of the American Chemical Society","2010","132","","11516","11524","10.1021/ja102163d","","","0.71073","MoKα","","","0.0308","","","","0.0388","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102864","18.193","0.004","3.8471","0.0008","14.112","0.003","90","","91.958","0.014","90","","987.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6'-dehydroxyoxyluciferin","","","- C10 H6 N2 O S2 -","- C10 H6 N2 O S2 -","- C40 H24 N8 O4 S8 -","4","1","","Panče Naumov; Manoj Kochunnoonny","Spectral-Structural Effects of the Keto-Enol-Enolate and Phenol-Phenolate Equilibria of Oxyluciferin","Journal of the American Chemical Society","2010","132","","11566","11579","10.1021/ja102885g","","","0.71073","MoKα","","0.1083","0.0647","","","0.1608","0.1965","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102865","5.3039","0.0002","9.4806","0.0005","23.0485","0.0011","90","","90","","90","","1158.97","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","D(-)-luciferin","","","- C11 H8 N2 O3 S2 -","- C11 H8 N2 O3 S2 -","- C44 H32 N8 O12 S8 -","4","1","","Panče Naumov; Manoj Kochunnoonny","Spectral-Structural Effects of the Keto-Enol-Enolate and Phenol-Phenolate Equilibria of Oxyluciferin","Journal of the American Chemical Society","2010","132","","11566","11579","10.1021/ja102885g","","","0.71073","MoKα","","0.0538","0.0381","","","0.0843","0.0907","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102866","11.3882","0.0003","10.7673","0.0004","20.474","0.0008","90","","90","","90","","2510.53","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-dehydroxy-5,5-dimethyloxyluciferin","","","- C12 H12 N2 O S2 -","- C12 H12 N2 O S2 -","- C96 H96 N16 O8 S16 -","8","1","","Panče Naumov; Manoj Kochunnoonny","Spectral-Structural Effects of the Keto-Enol-Enolate and Phenol-Phenolate Equilibria of Oxyluciferin","Journal of the American Chemical Society","2010","132","","11566","11579","10.1021/ja102885g","","","0.71073","MoKα","","0.0908","0.0447","","","0.0949","0.1089","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102867","6.0196","0.0007","10.3193","0.0012","23.441","0.003","90","","90","","90","","1456.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","D(-)-5,5-dimethylluciferin","","","- C13 H14 N2 O4 S2 -","- C13 H14 N2 O4 S2 -","- C52 H56 N8 O16 S8 -","4","1","","Panče Naumov; Manoj Kochunnoonny","Spectral-Structural Effects of the Keto-Enol-Enolate and Phenol-Phenolate Equilibria of Oxyluciferin","Journal of the American Chemical Society","2010","132","","11566","11579","10.1021/ja102885g","","","0.71073","MoKα","","0.03","0.025","","","0.054","0.0561","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102868","9.3204","0.0002","13.5483","0.0002","6.5794","0.0001","90","","106.479","0.001","90","","796.69","0.02","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0376","0.036","","","0.0901","0.0915","","","","","","1.109","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102869","9.3198","0.0002","13.548","0.0002","6.579","0.0001","90","","106.475","0.001","90","","796.59","0.02","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0355","0.0338","","","0.0827","0.0842","","","","","","1.129","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102870","9.3198","0.0002","13.5479","0.0002","6.5789","0.0001","90","","106.472","0.001","90","","796.58","0.02","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0355","0.0339","","","0.0823","0.0835","","","","","","1.116","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102871","9.3199","0.0002","13.548","0.0002","6.5788","0.0001","90","","106.468","0.001","90","","796.6","0.02","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.098","0.0947","","","0.2385","0.2424","","","","","","1.081","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102872","9.3203","0.0002","13.5485","0.0002","6.5792","0.0001","90","","106.466","0.001","90","","796.72","0.02","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0968","0.094","","","0.2355","0.2401","","","","","","1.08","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102873","9.3201","0.0002","13.548","0.0002","6.5789","0.0001","90","","106.464","0.001","90","","796.65","0.02","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0971","0.0944","","","0.2376","0.2412","","","","","","1.078","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102874","9.3204","0.0002","13.548","0.0003","6.5788","0.0001","90","","106.46","0.001","90","","796.68","0.03","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0966","0.0939","","","0.2352","0.2395","","","","","","1.08","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102875","9.3208","0.0002","13.5481","0.0002","6.5791","0.0001","90","","106.456","0.001","90","","796.77","0.02","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0343","0.0329","","","0.0806","0.0817","","","","","","1.104","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102876","9.3211","0.0002","13.5484","0.0003","6.579","0.0001","90","","106.45","0.001","90","","796.83","0.03","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0959","0.0931","","","0.2332","0.2369","","","","","","1.08","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102877","9.3214","0.0002","13.5483","0.0003","6.5792","0.0001","90","","106.446","0.001","90","","796.89","0.03","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0963","0.093","","","0.2294","0.2334","","","","","","1.078","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102878","9.3218","0.0002","13.549","0.0002","6.5793","0.0001","90","","106.44","0.001","90","","797","0.02","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0949","0.0923","","","0.2324","0.2359","","","","","","1.082","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102879","9.3218","0.0002","13.5491","0.0002","6.5792","0.0001","90","","106.437","0.001","90","","797.01","0.02","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0945","0.0913","","","0.2299","0.234","","","","","","1.078","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102880","9.3222","0.0002","13.549","0.0002","6.5794","0.0001","90","","106.433","0.001","90","","797.07","0.02","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0951","0.0916","","","0.2294","0.2341","","","","","","1.082","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102881","9.3226","0.0002","13.5496","0.0002","6.5794","0.0001","90","","106.427","0.001","90","","797.17","0.02","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.094","0.0911","","","0.2277","0.2318","","","","","","1.082","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102882","9.3231","0.0002","13.5498","0.0002","6.5795","0.0001","90","","106.42","0.001","90","","797.26","0.02","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0934","0.0907","","","0.2256","0.2291","","","","","","1.092","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102883","9.3232","0.0002","13.5499","0.0002","6.5795","0.0001","90","","106.417","0.001","90","","797.29","0.02","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0932","0.0902","","","0.2258","0.2297","","","","","","1.095","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102884","9.3231","0.0002","13.5497","0.0003","6.5793","0.0001","90","","106.414","0.001","90","","797.26","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0932","0.0904","","","0.2252","0.2289","","","","","","1.085","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102885","9.3237","0.0002","13.55","0.0002","6.5797","0.0001","90","","106.408","0.001","90","","797.4","0.02","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0933","0.0903","","","0.2244","0.2283","","","","","","1.092","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102886","9.324","0.0002","13.5505","0.0002","6.5797","0.0001","90","","106.404","0.001","90","","797.47","0.02","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0925","0.0894","","","0.2256","0.2299","","","","","","1.071","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102887","9.3222","0.0001","13.5569","0.0001","6.5852","0.0001","90","","106.507","0.001","90","","797.938","0.016","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0512","0.0455","","","0.1149","0.1221","","","","","","1.03","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102888","9.3252","0.0002","13.5608","0.0002","6.5854","0.0001","90","","106.442","0.001","90","","798.72","0.02","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0482","0.0414","","","0.1119","0.1183","","","","","","1.03","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102889","9.3297","0.0002","13.5636","0.0003","6.5887","0.0002","90","","106.349","0.001","90","","800.05","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0556","0.0465","","","0.1263","0.1343","","","","","","1.035","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102890","9.3348","0.0003","13.5692","0.0005","6.5881","0.0003","90","","106.298","0.002","90","","800.95","0.05","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0626","0.0503","","","0.1314","0.1405","","","","","","1.033","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102891","9.3356","0.0003","13.5689","0.0005","6.5929","0.0003","90","","106.24","0.002","90","","801.82","0.05","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.088","0.0658","","","0.1645","0.1786","","","","","","1.04","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102892","9.3409","0.0006","13.5708","0.0009","6.5947","0.0004","90","","106.193","0.004","90","","802.8","0.09","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.1062","0.0605","","","0.1592","0.1856","","","","","","1.025","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102893","9.3362","0.0008","13.5746","0.0012","6.6014","0.0006","90","","106.262","0.006","90","","803.16","0.13","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.1157","0.0628","","","0.1655","0.1927","","","","","","1.042","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102894","9.3425","0.0008","13.5732","0.0012","6.6003","0.0006","90","","106.186","0.006","90","","803.79","0.13","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.1419","0.0878","","","0.2169","0.2556","","","","","","0.977","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102895","9.346","0.0007","13.5777","0.0012","6.5936","0.0005","90","","106.204","0.006","90","","803.47","0.11","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.1549","0.0895","","","0.2082","0.2509","","","","","","0.967","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102896","9.3485","0.0006","13.583","0.001","6.5934","0.0005","90","","106.167","0.005","90","","804.13","0.1","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.1505","0.0781","","","0.1766","0.214","","","","","","0.946","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102897","9.3479","0.0006","13.5823","0.001","6.5943","0.0005","90","","106.151","0.005","90","","804.21","0.1","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.1568","0.073","","","0.1689","0.2054","","","","","","0.954","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102898","9.3502","0.0006","13.5844","0.001","6.5948","0.0005","90","","106.122","0.005","90","","804.71","0.1","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.1652","0.0719","","","0.16","0.1933","","","","","","0.958","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102899","9.3316","0.0011","13.5678","0.0016","6.5866","0.0007","90","","106.178","0.007","90","","800.9","0.16","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.1942","0.0828","","","0.2118","0.2882","","","","","","1.894","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102900","9.3235","0.0006","13.5573","0.0009","6.5865","0.0005","90","","106.533","0.001","90","","798.12","0.1","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0252","0.024","","","0.0602","0.0607","","","","","","1.121","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102901","9.3242","0.0002","13.5575","0.0003","6.5875","0.0001","90","","106.517","0.001","90","","798.38","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0913","0.0576","","","0.1464","0.1665","","","","","","1.02","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102902","9.3244","0.0002","13.5579","0.0003","6.5877","0.0001","90","","106.512","0.001","90","","798.47","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0902","0.0569","","","0.1463","0.1671","","","","","","1.015","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102903","9.3245","0.0002","13.5582","0.0003","6.5876","0.0001","90","","106.504","0.001","90","","798.51","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0913","0.0575","","","0.1519","0.1743","","","","","","1.009","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102904","9.3249","0.0002","13.5583","0.0003","6.5875","0.0001","90","","106.5","0.001","90","","798.56","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0923","0.0595","","","0.1518","0.1721","","","","","","1.018","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102905","9.3257","0.0002","13.5589","0.0003","6.5879","0.0001","90","","106.496","0.001","90","","798.73","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0905","0.0585","","","0.1509","0.1708","","","","","","1.013","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102906","9.3253","0.0002","13.5586","0.0003","6.5877","0.0001","90","","106.492","0.001","90","","798.67","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0935","0.0595","","","0.1551","0.1776","","","","","","1.011","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102907","9.3257","0.0002","13.5587","0.0003","6.5876","0.0001","90","","106.487","0.001","90","","798.72","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0932","0.0589","","","0.1494","0.171","","","","","","1.013","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102908","9.3265","0.0002","13.5596","0.0003","6.5879","0.0001","90","","106.484","0.001","90","","798.89","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0946","0.0602","","","0.1551","0.1772","","","","","","1.022","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102909","9.3267","0.0002","13.5596","0.0003","6.588","0.0001","90","","106.48","0.001","90","","798.93","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0925","0.0594","","","0.155","0.1765","","","","","","1.017","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102910","9.3261","0.0002","13.5597","0.0003","6.5877","0.0001","90","","106.475","0.001","90","","798.87","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0931","0.0596","","","0.153","0.1747","","","","","","1.015","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102911","9.3268","0.0002","13.56","0.0003","6.5878","0.0001","90","","106.472","0.001","90","","798.97","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0936","0.06","","","0.1586","0.1816","","","","","","1.006","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102912","9.3264","0.0002","13.559","0.0003","6.5876","0.0001","90","","106.471","0.001","90","","798.86","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0932","0.0591","","","0.1508","0.1718","","","","","","1.014","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102913","9.3266","0.0002","13.5579","0.0003","6.5869","0.0001","90","","106.462","0.001","90","","798.77","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0961","0.0618","","","0.1582","0.1802","","","","","","1.015","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102914","9.3286","0.0002","13.5614","0.0003","6.5881","0.0001","90","","106.447","0.001","90","","799.35","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0948","0.0617","","","0.1597","0.1819","","","","","","1.007","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102915","9.3294","0.0002","13.5627","0.0003","6.5886","0.0001","90","","106.44","0.001","90","","799.58","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0962","0.0626","","","0.1617","0.1839","","","","","","1.012","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102916","9.3299","0.0002","13.5634","0.0003","6.5888","0.0001","90","","106.436","0.001","90","","799.71","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0973","0.0634","","","0.1657","0.1884","","","","","","1.011","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102917","9.3301","0.0002","13.5634","0.0003","6.5888","0.0001","90","","106.43","0.001","90","","799.75","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0973","0.0635","","","0.1654","0.1875","","","","","","1.013","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102918","9.3308","0.0002","13.5643","0.0003","6.589","0.0001","90","","106.428","0.001","90","","799.9","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0949","0.0622","","","0.1644","0.1878","","","","","","1.008","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102919","9.3303","0.0002","13.5634","0.0003","6.5888","0.0001","90","","106.422","0.001","90","","799.8","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0925","0.0603","","","0.1586","0.1799","","","","","","1.007","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102920","9.3298","0.0002","13.5627","0.0003","6.5882","0.0001","90","","106.421","0.001","90","","799.65","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0982","0.0622","","","0.1591","0.1814","","","","","","1.007","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102921","9.3303","0.0002","13.5624","0.0003","6.5879","0.0001","90","","106.411","0.001","90","","799.68","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0958","0.0601","","","0.1547","0.1765","","","","","","1.012","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102922","9.3313","0.0002","13.5636","0.0003","6.5884","0.0002","90","","106.402","0.001","90","","799.93","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0954","0.0605","","","0.1551","0.1759","","","","","","1.017","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102923","64.04","0.06","64.19","0.06","64.25","0.06","90","","90","","90","","264114","4","293","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C83 H115 Br N19 O23 -","- C338 Br2.65 N75.9 O182 -","- C4056 Br31.8 N910.8 O2184 -","12","3","","Omid Khakshoor; Aaron J. Lin; Tyler P. Korman; Michael R. Sawaya; Shiou-Chuan Tsai; David Eisenberg; James S. Nowick","X-ray Crystallographic Structure of an Artificial β-Sheet Dimer","Journal of the American Chemical Society","2010","132","","11622","11628","10.1021/ja103438w","","","0.97853","","","0.1504","","","","","","","","","","","","","","","has coordinates,has disorder","189821","2020-10-21","18:00:00",""
"4102924","8.2451","0.0014","19.209","0.003","8.738","0.0015","90","","103.634","0.002","90","","1344.9","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H38 Cl6 In2 N2 O4 -","- C14 H38 Cl6 In2 N2 O4 -","- C28 H76 Cl12 In4 N4 O8 -","2","0.5","","Agostino Pietrangelo; Spencer C. Knight; Aalo K. Gupta; Letitia J. Yao; Marc A. Hillmyer; William B. Tolman","Mechanistic Study of the Stereoselective Polymerization of d,l-Lactide Using Indium(III) Halides","Journal of the American Chemical Society","2010","132","","11649","11657","10.1021/ja103841h","","","0.71073","MoKα","","0.0604","0.0343","","","0.0655","0.074","","","","","","1.105","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102925","24.8548","0.0003","33.1678","0.0004","40.1311","0.0004","94.99","0.002","94.485","0.002","109.091","0.002","30944.7","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- Fe2 H474 K44 Na10 O640 Se8 W119 -","- Fe2 K28.95 Na5.35 O463.05 Se8 W119 -","- Fe4 K57.9 Na10.7 O926.1 Se16 W238 -","2","1","","Jun Yan; Jing Gao; De-Liang Long; Haralampos N. Miras; Leroy Cronin","Self-Assembly of a Nanosized, Saddle-Shaped, Solution-Stable Polyoxometalate Anion Built from Pentagonal Building Blocks: [H34W119Se8Fe2O420]54-","Journal of the American Chemical Society","2010","132","","11410","11411","10.1021/ja104043s","","","1.54184","CuKα","","0.0915","0.0669","","","0.1775","0.1998","","","","","","0.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102926","9.0552","0.0004","12.8869","0.0006","12.0073","0.0005","90","","103.344","0.002","90","","1363.34","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","EMS-VIII-007D","bertozzi01","","- C36 H30 F6 -","- C36 H30 F6 -","- C72 H60 F12 -","2","1","","Ellen M. Sletten; Hitomi Nakamura; John C. Jewett; Carolyn R. Bertozzi","Difluorobenzocyclooctyne: Synthesis, Reactivity, and Stabilization by β-Cyclodextrin","Journal of the American Chemical Society","2010","132","","11799","11805","10.1021/ja105005t","","","1.54178","CuKα","","0.0282","0.0274","","","0.0735","0.0744","","","","","","1.038","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102927","10.961","0.0004","11.2443","0.0004","24.9515","0.0009","90.207","0.002","100.731","0.002","115.162","0.002","2722.88","0.18","100","2","100","2","","","","","","","","3","P -1","-P 1","2","EMS-VIII-007E","bertozzi02","","- C36 H30 F6 -","- C36 H30 F6 -","- C144 H120 F24 -","4","2","","Ellen M. Sletten; Hitomi Nakamura; John C. Jewett; Carolyn R. Bertozzi","Difluorobenzocyclooctyne: Synthesis, Reactivity, and Stabilization by β-Cyclodextrin","Journal of the American Chemical Society","2010","132","","11799","11805","10.1021/ja105005t","","","1.54178","CuKα","","0.0464","0.0428","","","0.107","0.11","","","","","","1.028","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4102928","10.9513","0.0005","14.9709","0.0007","15.4572","0.0007","63.01","0.002","75.207","0.002","80.666","0.002","2180.2","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","EMS-VIII-007B","bertozzi03","","- C51 H52 F8 O8 -","- C51 H52 F8 O8 -","- C102 H104 F16 O16 -","2","1","","Ellen M. Sletten; Hitomi Nakamura; John C. Jewett; Carolyn R. Bertozzi","Difluorobenzocyclooctyne: Synthesis, Reactivity, and Stabilization by β-Cyclodextrin","Journal of the American Chemical Society","2010","132","","11799","11805","10.1021/ja105005t","","","1.54178","CuKα","","0.0358","0.0336","","","0.0839","0.086","","","","","","1.025","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102929","7.5863","0.0004","8.9598","0.0005","14.6268","0.0008","91.07","0.003","96.218","0.002","104.754","0.003","954.66","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","EMS-VIII-007C","bertozzi04","","- C24 H20 F4 O2 -","- C24 H20 F4 O2 -","- C48 H40 F8 O4 -","2","1","","Ellen M. Sletten; Hitomi Nakamura; John C. Jewett; Carolyn R. Bertozzi","Difluorobenzocyclooctyne: Synthesis, Reactivity, and Stabilization by β-Cyclodextrin","Journal of the American Chemical Society","2010","132","","11799","11805","10.1021/ja105005t","","","1.54178","CuKα","","0.0351","0.0322","","","0.0853","0.0883","","","","","","1.036","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102930","5.057","0.004","6.437","0.006","43.83","0.04","90","","90","","90","","1427","2","93.1","","93.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N O3 -","- C15 H18 Br N O3 -","- C60 H72 Br4 N4 O12 -","4","1","","Masato Ito; Chika Kobayashi; Akio Himizu; Takao Ikariya","Highly Enantioselective Hydrogenative Desymmetrization of Bicyclic Imides Leading to Multiply Functionalized Chiral Cyclic Compounds","Journal of the American Chemical Society","2010","132","","11414","11415","10.1021/ja105048c","","","0.7107","MoKα","","","0.0222","","","","0.0767","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102931","6.264","0.005","8.121","0.006","23.197","0.019","90","","98.044","0.014","90","","1168.4","1.6","193.1","","193.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","1","","Masato Ito; Chika Kobayashi; Akio Himizu; Takao Ikariya","Highly Enantioselective Hydrogenative Desymmetrization of Bicyclic Imides Leading to Multiply Functionalized Chiral Cyclic Compounds","Journal of the American Chemical Society","2010","132","","11414","11415","10.1021/ja105048c","","","0.7107","MoKα","","","0.0387","","","","0.1412","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102932","11.161","0.005","9.014","0.004","13.808","0.006","90","","96.384","0.006","90","","1380.5","1.1","193.1","","193.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H13 N O4 -","- C18 H13 N O4 -","- C72 H52 N4 O16 -","4","1","","Masato Ito; Chika Kobayashi; Akio Himizu; Takao Ikariya","Highly Enantioselective Hydrogenative Desymmetrization of Bicyclic Imides Leading to Multiply Functionalized Chiral Cyclic Compounds","Journal of the American Chemical Society","2010","132","","11414","11415","10.1021/ja105048c","","","0.7107","MoKα","","","0.038","","","","0.1121","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102933","6.071","0.003","11.108","0.006","19.141","0.011","90","","99.076","0.009","90","","1274.6","1.2","193.1","","193.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Masato Ito; Chika Kobayashi; Akio Himizu; Takao Ikariya","Highly Enantioselective Hydrogenative Desymmetrization of Bicyclic Imides Leading to Multiply Functionalized Chiral Cyclic Compounds","Journal of the American Chemical Society","2010","132","","11414","11415","10.1021/ja105048c","","","0.7107","MoKα","","","0.0279","","","","0.1358","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102934","6.172","0.005","8.622","0.006","12.85","0.009","90","","101.54","0.009","90","","670","0.9","93.1","","93.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C32 H34 N2 O8 -","2","1","","Masato Ito; Chika Kobayashi; Akio Himizu; Takao Ikariya","Highly Enantioselective Hydrogenative Desymmetrization of Bicyclic Imides Leading to Multiply Functionalized Chiral Cyclic Compounds","Journal of the American Chemical Society","2010","132","","11414","11415","10.1021/ja105048c","","","0.7107","MoKα","","","0.0443","","","","0.1296","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102935","9.1093","0.0003","10.1239","0.0003","17.6114","0.0005","90","","90","","90","","1624.15","0.09","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 I N O -","- C17 H18 I N O -","- C68 H72 I4 N4 O4 -","4","1","","Achim Bruch; Andrea Ambrosius; Roland Fröhlich; Armido Studer; David B. Guthrie; Hanmo Zhang; Dennis P. Curran","Memory of Axial Chirality in Aryl Radical Phosphanylations","Journal of the American Chemical Society","2010","132","","11452","11454","10.1021/ja105070k","","","0.71073","MoKα","","0.046","0.0326","","","0.0681","0.0743","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102936","9.0213","0.0004","15.8242","0.0006","18.3522","0.0008","76.991","0.002","77.126","0.002","89.725","0.002","2485.62","0.18","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 N O P S -","- C28 H30 N O P S -","- C112 H120 N4 O4 P4 S4 -","4","2","","Achim Bruch; Andrea Ambrosius; Roland Fröhlich; Armido Studer; David B. Guthrie; Hanmo Zhang; Dennis P. Curran","Memory of Axial Chirality in Aryl Radical Phosphanylations","Journal of the American Chemical Society","2010","132","","11452","11454","10.1021/ja105070k","","","1.54178","CuKα","","0.0612","0.0519","","","0.1358","0.1437","","","","","","1.038","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102937","15.0114","0.0019","26.305","0.003","24.52","0.003","90","","90","","90","","9682","2","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C44 H60.5 Br2 Cl4 N4 O2.5 -","- C44 H61 Br2 Cl3.7 N4 O1.7 -","- C352 H488 Br16 Cl29.6 N32 O13.6 -","8","1","","Qing-Feng Wu; Hu He; Wen-Bo Liu; Shu-Li You","Enantioselective Construction of Spiroindolenines by Ir-Catalyzed Allylic Alkylation Reactions","Journal of the American Chemical Society","2010","132","","11418","11419","10.1021/ja105111n","","","0.71073","MoKα","","0.263","0.0758","","","0.1846","0.2279","","","","","","0.659","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102938","9.171","0.004","10.99","0.005","23.442","0.011","90","","90","","90","","2362.7","1.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 Br Cl2 N2 O -","- C22 H29 Br Cl2 N2 O -","- C88 H116 Br4 Cl8 N8 O4 -","4","1","","Qing-Feng Wu; Hu He; Wen-Bo Liu; Shu-Li You","Enantioselective Construction of Spiroindolenines by Ir-Catalyzed Allylic Alkylation Reactions","Journal of the American Chemical Society","2010","132","","11418","11419","10.1021/ja105111n","","","0.71073","MoKα","","0.1358","0.0694","","","0.1689","0.1852","","","","","","0.874","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102939","12.713","0.003","14.02","0.003","20.454","0.004","103.03","0.04","94.58","0.03","93.89","0.03","3526.6","1.5","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H109 Mo24 N3 O98 P2 S10 V3 -","- C46 H109 Mo24 N3 O98 P2 S10 V3 -","- C46 H109 Mo24 N3 O98 P2 S10 V3 -","1","0.5","","Alexander M. Khenkin; Gregory Leitus; Ronny Neumann","Electron Transfer-Oxygen Transfer Oxygenation of Sulfides Catalyzed by the H5PV2Mo10O40 Polyoxometalate","Journal of the American Chemical Society","2010","132","","11446","11448","10.1021/ja105183w","","","0.71073","MoKα","","0.0975","0.0776","","","0.1656","0.1793","","","","","","1.139","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102940","12.813","0.007","19.418","0.011","13.857","0.007","90","","94.996","0.002","90","","3435","3","103.15","","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H110 B4 Li2 N4 O4 -","- C68 H110 B4 Li2 N4 O4 -","- C136 H220 B8 Li4 N8 O8 -","2","0.5","","Kyoko Nozaki; Yoshitaka Aramaki; Makoto Yamashita; Shau-Hua Ueng; Max Malacria; Emmanuel Lacôte; Dennis P. Curran","Boryltrihydroborate: Synthesis, Structure, and Reactivity as a Reductant in Ionic, Organometallic, and Radical Reactions","Journal of the American Chemical Society","2010","132","","11449","11451","10.1021/ja105277u","","","0.7107","MoKα","","0.0878","0.076","","","0.2006","0.2123","","","","","","1.06","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102941","39.937","0.006","11.3904","0.0015","16.069","0.002","90","","94.863","0.008","90","","7283.4","1.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C141 H240 Ir4 N8 P8 -","- C141 H240 Ir4 N8 P8 -","- C282 H480 Ir8 N16 P16 -","2","0.5","","Zheng Huang; Jianrong (Steve) Zhou; John F. Hartwig","N-H Activation of Hydrazines by Iridium(I). Double N-H Activation To Form Iridium Aminonitrene Complexes","Journal of the American Chemical Society","2010","132","","11458","11460","10.1021/ja1053835","","","0.71073","MoKα","","0.15","0.0569","","","0.0746","0.0933","","","","","","0.922","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102942","10.7017","0.0004","16.239","0.0007","20.6097","0.0009","90","","90","","90","","3581.7","0.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H55 Ir N2 P2 -","- C37 H55 Ir N2 P2 -","- C148 H220 Ir4 N8 P8 -","4","1","","Zheng Huang; Jianrong (Steve) Zhou; John F. Hartwig","N-H Activation of Hydrazines by Iridium(I). Double N-H Activation To Form Iridium Aminonitrene Complexes","Journal of the American Chemical Society","2010","132","","11458","11460","10.1021/ja1053835","","","0.71073","MoKα","","0.0267","0.0221","","","0.0393","0.0405","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102943","11.8165","0.0003","11.9552","0.0003","14.4984","0.0003","110.418","0.002","112.256","0.002","90.657","0.002","1751.97","0.08","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H67 Ir N2 P2 -","- C31 H67 Ir N2 P2 -","- C62 H134 Ir2 N4 P4 -","2","1","","Zheng Huang; Jianrong (Steve) Zhou; John F. Hartwig","N-H Activation of Hydrazines by Iridium(I). Double N-H Activation To Form Iridium Aminonitrene Complexes","Journal of the American Chemical Society","2010","132","","11458","11460","10.1021/ja1053835","","","0.71073","MoKα","","0.0238","0.0192","","","0.0451","0.0467","","","","","","1.039","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102944","17.5546","0.0006","16.563","0.0007","21.3249","0.0008","90","","90","","90","","6200.4","0.4","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H53 Ir N2 P2 -","- C29 H53 Ir N2 P2 -","- C232 H424 Ir8 N16 P16 -","8","1","","Zheng Huang; Jianrong (Steve) Zhou; John F. Hartwig","N-H Activation of Hydrazines by Iridium(I). Double N-H Activation To Form Iridium Aminonitrene Complexes","Journal of the American Chemical Society","2010","132","","11458","11460","10.1021/ja1053835","","","0.71073","MoKα","","0.1408","0.0484","","","0.0647","0.0847","","","","","","0.926","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102945","20.6955","0.001","20.6955","0.001","14.3009","0.001","90","","90","","90","","6125.1","0.6","193","2","193","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C31 H50 Ir N P2 -","- C31 H50 Ir N P2 -","- C248 H400 Ir8 N8 P16 -","8","1","","Zheng Huang; Jianrong (Steve) Zhou; John F. Hartwig","N-H Activation of Hydrazines by Iridium(I). Double N-H Activation To Form Iridium Aminonitrene Complexes","Journal of the American Chemical Society","2010","132","","11458","11460","10.1021/ja1053835","","","0.71073","MoKα","","0.0238","0.0192","","","0.0411","0.0429","","","","","","1.041","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102946","10.4919","0.0009","10.692","0.0008","15.0748","0.0012","101.466","0.005","98.835","0.005","103.297","0.005","1577.3","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H51 Ir N2 P2 -","- C31 H51 Ir N2 P2 -","- C62 H102 Ir2 N4 P4 -","2","1","","Zheng Huang; Jianrong (Steve) Zhou; John F. Hartwig","N-H Activation of Hydrazines by Iridium(I). Double N-H Activation To Form Iridium Aminonitrene Complexes","Journal of the American Chemical Society","2010","132","","11458","11460","10.1021/ja1053835","","","0.71073","MoKα","","0.0567","0.035","","","0.0651","0.0709","","","","","","1.017","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102947","9.349","0.005","8.209","0.005","17.192","0.01","90","","90","","90","","1319.4","1.3","120","1","120","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B H5 K N -","- B H5 K N -","- B16 H80 K16 N16 -","16","2","","Himashinie V. K. Diyabalanage; Tessui Nakagawa; Roshan P. Shrestha; Troy A. Semelsberger; Benjamin L. Davis; Brian L. Scott; Anthony K. Burrell; William I. F. David; Kate R. Ryan; Martin Owen Jones; Peter P. Edwards","Potassium(I) Amidotrihydroborate: Structure and Hydrogen Release","Journal of the American Chemical Society","2010","132","","11836","11837","10.1021/ja100167z","","","0.71073","MoKα","","0.0764","0.0439","","","0.1405","0.1845","","","","","","0.697","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102948","10.1897","0.0001","11.8946","0.0002","15.8515","0.0003","83.299","0.003","86.941","0.003","80.846","0.003","1882.63","0.05","103.1","","103.1","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H42 Cl10 N4 O18 Ru4 -","- C71 H38 Cl10 N4 O18 Ru4 -","- C71 H38 Cl10 N4 O18 Ru4 -","1","0.5","","Natsuko Motokawa; Satoshi Matsunaga; Shinya Takaishi; Hitoshi Miyasaka; Masahiro Yamashita; Kim R. Dunbar","Reversible Magnetism between an Antiferromagnet and a Ferromagnet Related to Solvation/Desolvation in a Robust Layered [Ru2]2TCNQ Charge-Transfer System","Journal of the American Chemical Society","2010","132","","11943","11951","10.1021/ja102412g","","","0.71075","MoKα","","","0.0467","","","","0.1333","","","","","","1.104","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102949","10.024","0.003","12.034","0.004","15.707","0.005","84.078","0.01","85.712","0.011","79.834","0.009","1851.9","1","103.1","","103.1","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H40 Cl8 N4 O18 Ru4 -","- C70 H36 Cl8 N4 O18 Ru4 -","- C70 H36 Cl8 N4 O18 Ru4 -","1","0.5","","Natsuko Motokawa; Satoshi Matsunaga; Shinya Takaishi; Hitoshi Miyasaka; Masahiro Yamashita; Kim R. Dunbar","Reversible Magnetism between an Antiferromagnet and a Ferromagnet Related to Solvation/Desolvation in a Robust Layered [Ru2]2TCNQ Charge-Transfer System","Journal of the American Chemical Society","2010","132","","11943","11951","10.1021/ja102412g","","","0.71075","MoKα","","","0.0485","","","","0.1417","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102950","10.1872","0.0015","11.8862","0.0017","15.811","0.002","83.433","0.003","86.957","0.003","80.85","0.003","1876.6","0.5","103.1","","103.1","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H42 Cl10 N4 O18 Ru4 -","- C71 H38 Cl10 N4 O18 Ru4 -","- C71 H38 Cl10 N4 O18 Ru4 -","1","0.5","","Natsuko Motokawa; Satoshi Matsunaga; Shinya Takaishi; Hitoshi Miyasaka; Masahiro Yamashita; Kim R. Dunbar","Reversible Magnetism between an Antiferromagnet and a Ferromagnet Related to Solvation/Desolvation in a Robust Layered [Ru2]2TCNQ Charge-Transfer System","Journal of the American Chemical Society","2010","132","","11943","11951","10.1021/ja102412g","","","0.71075","MoKα","","","0.0518","","","","0.1573","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102951","9.151","0.004","20.914","0.01","23.367","0.018","90","","90","","90","","4472","5","93.1","","93.1","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H48 Cl4 O12 Ru2 -","- C44 H48 Cl4 O12 Ru2 -","- C176 H192 Cl16 O48 Ru8 -","4","0.5","","Natsuko Motokawa; Satoshi Matsunaga; Shinya Takaishi; Hitoshi Miyasaka; Masahiro Yamashita; Kim R. Dunbar","Reversible Magnetism between an Antiferromagnet and a Ferromagnet Related to Solvation/Desolvation in a Robust Layered [Ru2]2TCNQ Charge-Transfer System","Journal of the American Chemical Society","2010","132","","11943","11951","10.1021/ja102412g","","","0.7107","MoKα","","","0.04","","","","0.0938","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102952","14.8115","0.0019","15.9646","0.0019","18.929","0.002","90","","106.665","0.0016","90","","4288","0.9","93.1","","93.1","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 B Cl4 F4 O11 Ru2 -","- C40 H20 B Cl4 F4 O11 Ru2 -","- C160 H80 B4 Cl16 F16 O44 Ru8 -","4","1","","Natsuko Motokawa; Satoshi Matsunaga; Shinya Takaishi; Hitoshi Miyasaka; Masahiro Yamashita; Kim R. Dunbar","Reversible Magnetism between an Antiferromagnet and a Ferromagnet Related to Solvation/Desolvation in a Robust Layered [Ru2]2TCNQ Charge-Transfer System","Journal of the American Chemical Society","2010","132","","11943","11951","10.1021/ja102412g","","","0.7107","MoKα","","","0.0518","","","","0.122","","","","","","1.142","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102953","5.0151","0.0018","16.013","0.006","22.861","0.008","90","","90","","90","","1835.9","1.1","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C84 H100 N4 O8 -","4","1","","Maryll E. Geherty; Robert D. Dura; Scott G. Nelson","Catalytic Asymmetric Claisen Rearrangement of Unactivated Allyl Vinyl Ethers","Journal of the American Chemical Society","2010","132","","11875","11877","10.1021/ja1039314","","","0.71073","MoKα","","0.1151","0.0739","","","0.1629","0.1812","","","","","","1.046","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102954","5.0268","0.0012","15.831","0.004","22.862","0.006","90","","90","","90","","1819.3","0.8","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Br N O -","- C20 H22 Br N O -","- C80 H88 Br4 N4 O4 -","4","1","","Maryll E. Geherty; Robert D. Dura; Scott G. Nelson","Catalytic Asymmetric Claisen Rearrangement of Unactivated Allyl Vinyl Ethers","Journal of the American Chemical Society","2010","132","","11875","11877","10.1021/ja1039314","","","0.71073","MoKα","","0.114","0.0618","","","0.1292","0.1474","","","","","","0.922","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102955","19.358","0.003","12.646","0.002","18.038","0.003","90","","90","","90","","4415.7","1.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H45 Cl Ir P3 -","- C54 H45 Cl Ir P3 -","- C216 H180 Cl4 Ir4 P12 -","4","1","","Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Fluxionality of [(Ph3P)3M(X)] (M = Rh, Ir). The Red and Orange Forms of [(Ph3P)3Ir(Cl)]. Which Phosphine Dissociates Faster from Wilkinson's Catalyst?","Journal of the American Chemical Society","2010","132","","12013","12026","10.1021/ja1039693","","","0.71073","MoKα","","0.0898","0.0436","","","0.0673","0.0811","","","","","","0.961","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102956","32.705","0.009","12.187","0.003","10.985","0.003","90","","90","","90","","4378","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H45 Cl Ir P3 -","- C54 H45 Cl Ir P3 -","- C216 H180 Cl4 Ir4 P12 -","4","1","","Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Fluxionality of [(Ph3P)3M(X)] (M = Rh, Ir). The Red and Orange Forms of [(Ph3P)3Ir(Cl)]. Which Phosphine Dissociates Faster from Wilkinson's Catalyst?","Journal of the American Chemical Society","2010","132","","12013","12026","10.1021/ja1039693","","","0.71073","MoKα","","0.043","0.0303","","","0.06","0.0635","","","","","","1.01","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102957","32.86","0.005","12.2247","0.0018","10.9774","0.0015","90","","90","","90","","4409.7","1.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C55 H48 O0 P3 Rh -","- C55 H48 P3 Rh -","- C220 H192 P12 Rh4 -","4","1","","Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Fluxionality of [(Ph3P)3M(X)] (M = Rh, Ir). The Red and Orange Forms of [(Ph3P)3Ir(Cl)]. Which Phosphine Dissociates Faster from Wilkinson's Catalyst?","Journal of the American Chemical Society","2010","132","","12013","12026","10.1021/ja1039693","","","0.71073","MoKα","","0.1659","0.1166","","","0.2596","0.28","","","","","","1.404","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102958","13.773","0.002","24.303","0.004","24.367","0.004","90","","90","","90","","8156","2","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H35 B2 Cl3 Co N6 O6 S4 -","- C35 H35 B2 Cl3 Co N6 O6 S4 -","- C280 H280 B16 Cl24 Co8 N48 O48 S32 -","8","2","","Wenjun Liu; Weijie Huang; Maren Pink; Dongwhan Lee","Layer-by-Layer Synthesis of Metal-Containing Conducting Polymers: Caged Metal Centers for Interlayer Charge Transport","Journal of the American Chemical Society","2010","132","","11844","11846","10.1021/ja104038s","","","0.71073","MoKα","","0.1098","0.0649","","","0.152","0.1766","","","","","","1.025","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102959","28.888","0.004","9.1516","0.0013","16.023","0.003","90","","121.953","0.008","90","","3594.2","1","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 B2 Fe N6 O6 S4 -","- C34 H34 B2 Fe N6 O6 S4 -","- C136 H136 B8 Fe4 N24 O24 S16 -","4","0.5","","Wenjun Liu; Weijie Huang; Maren Pink; Dongwhan Lee","Layer-by-Layer Synthesis of Metal-Containing Conducting Polymers: Caged Metal Centers for Interlayer Charge Transport","Journal of the American Chemical Society","2010","132","","11844","11846","10.1021/ja104038s","","","0.71073","MoKα","","0.0525","0.0366","","","0.0888","0.0974","","","","","","1.023","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4102960","9.372","0.001","15.564","0.001","48.161","0.004","95.861","0.002","93.037","0.002","95.182","0.002","6946","1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C316.74 H356.19 N20 Ni4 O6.75 -","- C316.74 H356.186 N20 Ni4 O6.752 -","- C316.74 H356.186 N20 Ni4 O6.752 -","1","0.5","","Jianxin Song; Naoki Aratani; Ji Haeng Heo; Dongho Kim; Hiroshi Shinokubo; Atsuhiro Osuka","Directly Pd(II)-Bridged Porphyrin Belts with Remarkable Curvatures","Journal of the American Chemical Society","2010","132","","11868","11869","10.1021/ja1046654","","","0.71069","MoKα","","0.1167","0.0735","","","0.1745","0.1973","","","","","","1.033","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102961","15.633","0.002","19.14","0.002","26.565","0.003","76.928","0.002","89.395","0.002","72.777","0.002","7381.9","1.5","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C146 H153 Cl2 N10 Ni2 Pd -","- C146 H153 Cl2 N10 Ni2 Pd -","- C292 H306 Cl4 N20 Ni4 Pd2 -","2","1","","Jianxin Song; Naoki Aratani; Ji Haeng Heo; Dongho Kim; Hiroshi Shinokubo; Atsuhiro Osuka","Directly Pd(II)-Bridged Porphyrin Belts with Remarkable Curvatures","Journal of the American Chemical Society","2010","132","","11868","11869","10.1021/ja1046654","","","0.71069","MoKα","","0.0891","0.0744","","","0.2143","0.2279","","","","","","1.095","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102962","17.66","0.004","22.964","0.005","28.213","0.006","81.593","0.004","88.742","0.004","80.885","0.004","11176","4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C198 H205 Cl N16 Ni3 -","- C198 H205 Cl N16 Ni3 -","- C396 H410 Cl2 N32 Ni6 -","2","1","","Jianxin Song; Naoki Aratani; Ji Haeng Heo; Dongho Kim; Hiroshi Shinokubo; Atsuhiro Osuka","Directly Pd(II)-Bridged Porphyrin Belts with Remarkable Curvatures","Journal of the American Chemical Society","2010","132","","11868","11869","10.1021/ja1046654","","","0.71069","MoKα","","0.1325","0.0741","","","0.1859","0.2065","","","","","","0.868","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102963","25.3421","0.0006","14.7875","0.0004","20.3492","0.0005","90","","96.447","0.002","90","","7577.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Sc2O@Cs(6)-C82.Ni[OEP].1.4(toluene).0.6(benzene)","","","- C131.4 H58.8 N4 Ni O Sc2 -","- C129.55 H55.8 N4 Ni O Sc1.75 -","- C518.202 H223.2 N16 Ni4 O4 Sc7 -","4","0.5","","Brandon Q. Mercado; Melissa A. Stuart; Mary A. Mackey; Jane E. Pickens; Bridget S. Confait; Steven Stevenson; Michael L. Easterling; Ramón Valencia; Antonio Rodríguez-Fortea; Josep M. Poblet; Marilyn M. Olmstead; Alan L. Balch","Sc2(μ2-O) Trapped in a Fullerene Cage: The Isolation and Structural Characterization of Sc2(μ2-O)@Cs(6)-C82 and the Relevance of the Thermal and Entropic Effects in Fullerene Isomer Selection","Journal of the American Chemical Society","2010","132","","12098","12105","10.1021/ja104902e","","","0.7749","","","0.0852","0.0748","","","0.2054","0.2147","","","","","","1.017","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102964","12.777","0.003","23.903","0.005","18.151","0.004","90","","106.495","0.004","90","","5315","2","100.1","","100.1","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C92 H42 Si -","- C92 H42 Si -","- C368 H168 Si4 -","4","1","","Junko Nagatsuka; Sachie Sugitani; Masahiro Kako; Tsukasa Nakahodo; Naomi Mizorogi; Midori O. Ishitsuka; Yutaka Maeda; Takahiro Tsuchiya; Takeshi Akasaka; Xingfa Gao; Shigeru Nagase","Photochemical Addition of C60 with Siliranes: Synthesis and Characterization of Carbosilylated and Hydrosilylated C60 Derivatives","Journal of the American Chemical Society","2010","132","","12106","12120","10.1021/ja1049719","","","0.71075","MoKα","","","0.0869","","","","0.2675","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102965","12.7665","0.0005","23.9369","0.001","18.2436","0.0006","90","","106.826","0.001","90","","5336.4","0.4","120.1","","120.1","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C92 H42 Si -","- C92 H42 Si -","- C368 H168 Si4 -","4","1","","Junko Nagatsuka; Sachie Sugitani; Masahiro Kako; Tsukasa Nakahodo; Naomi Mizorogi; Midori O. Ishitsuka; Yutaka Maeda; Takahiro Tsuchiya; Takeshi Akasaka; Xingfa Gao; Shigeru Nagase","Photochemical Addition of C60 with Siliranes: Synthesis and Characterization of Carbosilylated and Hydrosilylated C60 Derivatives","Journal of the American Chemical Society","2010","132","","12106","12120","10.1021/ja1049719","","","0.71075","MoKα","","","0.063","","","","0.1784","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102966","19.694","0.004","13.366","0.002","24.195","0.004","90","","90.091","0.008","90","","6368.8","1.9","100.1","","100.1","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C106 H58 Si -","- C106 H58 Si -","- C424 H232 Si4 -","4","1","","Junko Nagatsuka; Sachie Sugitani; Masahiro Kako; Tsukasa Nakahodo; Naomi Mizorogi; Midori O. Ishitsuka; Yutaka Maeda; Takahiro Tsuchiya; Takeshi Akasaka; Xingfa Gao; Shigeru Nagase","Photochemical Addition of C60 with Siliranes: Synthesis and Characterization of Carbosilylated and Hydrosilylated C60 Derivatives","Journal of the American Chemical Society","2010","132","","12106","12120","10.1021/ja1049719","","","0.71075","MoKα","","","0.0665","","","","0.1833","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102967","14.287","0.002","23.441","0.005","19.533","0.003","90","","104.27","0.005","90","","6339.8","1.9","90.1","","90.1","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C105 H54 Si -","- C105 H54 Si -","- C420 H216 Si4 -","4","1","","Junko Nagatsuka; Sachie Sugitani; Masahiro Kako; Tsukasa Nakahodo; Naomi Mizorogi; Midori O. Ishitsuka; Yutaka Maeda; Takahiro Tsuchiya; Takeshi Akasaka; Xingfa Gao; Shigeru Nagase","Photochemical Addition of C60 with Siliranes: Synthesis and Characterization of Carbosilylated and Hydrosilylated C60 Derivatives","Journal of the American Chemical Society","2010","132","","12106","12120","10.1021/ja1049719","","","0.71075","MoKα","","","0.0778","","","","0.2284","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102968","14.8322","0.0005","15.7438","0.0006","16.037","0.001","100.665","0.001","105.054","0.001","111.784","0.001","3188.4","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H81 N7 O9 -","- C68 H81 N7 O9 -","- C136 H162 N14 O18 -","2","1","","Ho Yong Lee; Xinli Song; Hyunsoo Park; Mu-Hyun Baik; Dongwhan Lee","Torsionally Responsive C3-Symmetric Azo Dyes: Azo-Hydrazone Tautomerism, Conformational Switching, and Application for Chemical Sensing","Journal of the American Chemical Society","2010","132","","12133","12144","10.1021/ja105121z","","x-ray","0.41328","synchrotron","","0.1084","0.0697","","","0.1903","0.2192","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102969","14.5285","0.0009","16.1699","0.001","18.5044","0.0011","94.488","0.001","108.717","0.001","106.896","0.001","3868.3","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C148 H170 B2 F48 Ni2 O3 P4 Si2 -","- C148 H170 B2 F48 Ni2 O3 P4 Si2 -","- C148 H170 B2 F48 Ni2 O3 P4 Si2 -","1","0.5","","Vlad M. Iluc; Gregory L. Hillhouse","Arrested 1,2-Hydrogen Migration from Silicon to Nickel upon Oxidation of a Three-Coordinate Ni(I) Silyl Complex","Journal of the American Chemical Society","2010","132","","11890","11892","10.1021/ja1052329","","","0.71073","MoKα","","0.0969","0.0857","","","0.212","0.2227","","","","","","1.107","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102970","8.6888","0.0008","18.7901","0.0017","22.348","0.002","90","","96.061","0.002","90","","3628.2","0.6","100","2","100","2","","","","","","","synthetic","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H63 Ni P2 Si -","- C36 H63 Ni P2 Si -","- C144 H252 Ni4 P8 Si4 -","4","1","","Vlad M. Iluc; Gregory L. Hillhouse","Arrested 1,2-Hydrogen Migration from Silicon to Nickel upon Oxidation of a Three-Coordinate Ni(I) Silyl Complex","Journal of the American Chemical Society","2010","132","","11890","11892","10.1021/ja1052329","","x-ray","0.71073","MoKα","","0.0935","0.071","","","0.1335","0.1413","","","","","","1.174","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102971","32.4278","0.0012","11.0563","0.0005","14.1912","0.0005","90","","109.461","0.002","90","","4797.3","0.3","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-(tert-butyl)phenyl)-5-iodo-3-methyl-1- n-octyl-1H-1,2,3-triazol-3-ium bromide","","- C21 H33 Br I N3 -","- C21 H33 Br I N3 -","- C168 H264 Br8 I8 N24 -","8","1","","Nathan L. Kilah; Matthew D. Wise; Christopher J. Serpell; Amber L. Thompson; Nicholas G. White; Kirsten E. Christensen; Paul D. Beer","Enhancement of Anion Recognition Exhibited by a Halogen-Bonding Rotaxane Host System","Journal of the American Chemical Society","2010","132","","11893","11895","10.1021/ja105263q","","","0.71073","MoKα","","0.0525","0.037","","0.054","0.0425","0.0425","","","","","","1.0289","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102972","14.038","0.0017","10.9503","0.0017","15.929","0.003","90","","101.329","0.011","90","","2400.9","0.7","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","4-(4-(tert-butyl)phenyl)-5-iodo-3-methyl-1- n-octyl-1H-1,2,3-triazol-3-ium chloride","","- C21 H33 Cl I N3 -","- C21 H33 Cl I N3 -","- C84 H132 Cl4 I4 N12 -","4","1","","Nathan L. Kilah; Matthew D. Wise; Christopher J. Serpell; Amber L. Thompson; Nicholas G. White; Kirsten E. Christensen; Paul D. Beer","Enhancement of Anion Recognition Exhibited by a Halogen-Bonding Rotaxane Host System","Journal of the American Chemical Society","2010","132","","11893","11895","10.1021/ja105263q","","","0.71073","MoKα","","0.1773","0.1482","","0.2109","0.1734","0.1734","","","","","","1.1198","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102973","11.1796","0.0004","14.7396","0.0005","15.5956","0.0006","81.4488","0.0012","80.4591","0.0012","89.9085","0.0016","2505.47","0.16","150","","150","","","","","","","","","4","P -1","-P 1","2","","4-(4-(tert-butyl)phenyl)-5-iodo-3-methyl-1- n-octyl-1H-1,2,3-triazol-3-ium iodide","","- C21 H33 I2 N3 -","- C21 H33 I2 N3 -","- C84 H132 I8 N12 -","4","2","","Nathan L. Kilah; Matthew D. Wise; Christopher J. Serpell; Amber L. Thompson; Nicholas G. White; Kirsten E. Christensen; Paul D. Beer","Enhancement of Anion Recognition Exhibited by a Halogen-Bonding Rotaxane Host System","Journal of the American Chemical Society","2010","132","","11893","11895","10.1021/ja105263q","","","0.71073","MoKα","","0.1062","0.072","","0.109","0.0805","0.0805","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102974","14.684","0.004","14.875","0.003","30.286","0.01","76.35","0.05","77.67","0.05","62.34","0.04","5652","4","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C113 H132 Br I N6 O12 -","- C113 H132 Br I N6 O12 -","- C226 H264 Br2 I2 N12 O24 -","2","1","","Nathan L. Kilah; Matthew D. Wise; Christopher J. Serpell; Amber L. Thompson; Nicholas G. White; Kirsten E. Christensen; Paul D. Beer","Enhancement of Anion Recognition Exhibited by a Halogen-Bonding Rotaxane Host System","Journal of the American Chemical Society","2010","132","","11893","11895","10.1021/ja105263q","","","0.6889","MoKα","","0.213","0.1501","","0.4124","0.3494","0.4124","","","","","","1.0063","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102975","23.0412","0.0005","13.5764","0.0003","17.4038","0.0004","90","","110.892","0.0012","90","","5086.3","0.2","223","","","","","","","","","","LOC ETH Zurich","8","C 1 2/c 1","-C 2yc","15","","","","- C54 H38 Cl6 I Ir N2 O4 P2 -","- C54 H38 Cl6 I Ir N2 O4 P2 -","- C216 H152 Cl24 I4 Ir4 N8 O16 P8 -","4","0.5","","Markus Roggen; Erick M. Carreira","Stereospecific Substitution of Allylic Alcohols To Give Optically Active Primary Allylic Amines: Unique Reactivity of a (P,alkene)Ir Complex Modulated by Iodide","Journal of the American Chemical Society","2010","132","","11917","11919","10.1021/ja105271z","","","0.71073","MoKα","","0.0578","0.0482","","","0.1445","0.1545","","","","","","1.148","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102976","5.25","0.004","17.886","0.01","6.314","0.004","90","","112.536","0.01","90","","547.6","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H4 N5 O3 -","- C2 H4 N5 O3 -","- C8 H16 N20 O12 -","4","1","","Ruihu Wang; Hongyan Xu; Yong Guo; Rongjian Sa; Jean'ne M. Shreeve","Bis[3-(5-nitroimino-1,2,4-triazolate)]-Based Energetic Salts: Synthesis and Promising Properties of a New Family of High-Density Insensitive Materials","Journal of the American Chemical Society","2010","132","","11904","11905","10.1021/ja1055033","","","0.71073","MoKα","","0.0724","0.0527","","","0.145","0.1781","","","","","","1.109","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102977","19.7429","0.0005","13.5697","0.0004","18.3723","0.0005","90","","96.805","0.002","90","","4887.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H76 Al N7 Ni O -","- C48 H76 Al N7 Ni O -","- C192 H304 Al4 N28 Ni4 O4 -","4","1","","Chung-Chih Tsai; Wei-Chih Shih; Cyong-Hui Fang; Chia-Yi Li; Tiow-Gan Ong; Glenn P. A. Yap","Bimetallic Nickel Aluminun Mediated Para-Selective Alkenylation of Pyridine: Direct Observation of η2,η1-Pyridine Ni(0)-Al(III) Intermediates Prior to C-H Bond Activation","Journal of the American Chemical Society","2010","132","","11887","11889","10.1021/ja1061246","","","0.71073","MoKα","","0.059","0.0389","","","0.0913","0.1018","","","","","","1.011","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102978","14.981","0.003","25.995","0.005","6.9486","0.0014","90","","90","","90","","2706","0.9","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H39 Al2 Cl2 N3 -","- C22 H39 Al2 Cl2 N3 -","- C88 H156 Al8 Cl8 N12 -","4","1","","Chung-Chih Tsai; Wei-Chih Shih; Cyong-Hui Fang; Chia-Yi Li; Tiow-Gan Ong; Glenn P. A. Yap","Bimetallic Nickel Aluminun Mediated Para-Selective Alkenylation of Pyridine: Direct Observation of η2,η1-Pyridine Ni(0)-Al(III) Intermediates Prior to C-H Bond Activation","Journal of the American Chemical Society","2010","132","","11887","11889","10.1021/ja1061246","","","0.71073","MoKα","","0.2269","0.0932","","","0.1643","0.2139","","","","","","1.007","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102979","7.329","0.0017","16.483","0.004","8.629","0.002","90","","102.646","0.003","90","","1017.1","0.4","220","2","220","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H32 Cl2 Mo N2 -","- C18 H32 Cl2 Mo N2 -","- C36 H64 Cl4 Mo2 N4 -","2","0.5","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0449","0.0325","","","0.0666","0.0699","","","","","","1","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102980","9.3437","0.0002","14.8268","0.0003","14.6366","0.0003","90","","96.2349","0.0003","90","","2015.72","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 Cl2 N2 W -","- C18 H32 Cl2 N2 W -","- C72 H128 Cl8 N8 W4 -","4","1","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0139","0.0133","","","0.0293","0.0295","","","","","","1","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102981","12.7891","0.0003","10.0138","0.0002","16.7916","0.0004","90","","104.019","0.0003","90","","2086.41","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H70 Mo2 N8 -","- C38 H70 Mo2 N8 -","- C76 H140 Mo4 N16 -","2","0.5","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0226","0.0205","","","0.0447","0.0454","","","","","","0.999","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102982","9.6229","0.0018","10.344","0.002","11.664","0.002","105.2","0.0018","99.511","0.0019","114.24","0.0017","971.3","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H64 N6 W2 -","- C36 H64 N6 W2 -","- C36 H64 N6 W2 -","1","0.5","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0331","0.0275","","","0.0645","0.0671","","","","","","1","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102983","12.993","0.0014","18.5117","0.0019","16.9536","0.0018","90","","107.973","0.002","90","","3878.7","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 N6 Ti2 -","- C36 H64 N6 Ti2 -","- C144 H256 N24 Ti8 -","4","1","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0585","0.038","","","0.0821","0.0898","","","","","","1","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102984","9.6215","0.0005","15.9429","0.0008","13.061","0.0006","90","","104.501","0.001","90","","1939.66","0.17","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cmpd4","","","- C36 H66 Mo2 N6 -","- C36 H66 Mo2 N6 -","- C72 H132 Mo4 N12 -","2","0.5","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0327","0.0258","","","0.0551","0.058","","","","","","0.999","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102985","9.0568","0.0003","10.9451","0.0004","19.97","0.0007","90","","92.153","0.001","90","","1978.18","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","W-complex","","- C36 H64 Cl2 N6 W2 -","- C36 H64 Cl2 N6 W2 -","- C72 H128 Cl4 N12 W4 -","2","0.5","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0182","0.0152","","","0.0366","0.0374","","","","","","1","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102986","20.2729","0.0011","16.968","0.001","18.6155","0.0011","90","","112.493","0.0007","90","","5916.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H192 Cl4 N18 W6 -","- C108 H192 Cl4 N18 W6 -","- C216 H384 Cl8 N36 W12 -","2","0.5","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0778","0.0428","","","0.0823","0.0899","","","","","","1","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102987","9.4556","0.0007","11.328","0.0008","16.6763","0.0012","77.4608","0.0009","78.9713","0.001","72.9418","0.0009","1651.3","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H50 Mo N4 -","- C36 H50 Mo N4 -","- C72 H100 Mo2 N8 -","2","1","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0406","0.0325","","","0.0627","0.0648","","","","","","1","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102988","9.4665","0.0005","11.3904","0.0006","16.7481","0.0009","77.4871","0.0005","79.3452","0.0005","72.7116","0.0005","1669.23","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H50 N4 W -","- C36 H50 N4 W -","- C72 H100 N8 W2 -","2","1","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0214","0.0198","","","0.0466","0.0471","","","","","","1.001","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102989","8.8808","0.0003","16.4776","0.0005","14.277","0.0005","90","","90","","90","","2089.21","0.12","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H32 Mo N2 O2 -","- C20 H32 Mo N2 O2 -","- C80 H128 Mo4 N8 O8 -","4","0.5","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0178","0.0167","","","0.0363","0.0366","","","","","","1","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102990","14.0017","0.0009","15.7393","0.001","9.1904","0.0006","90","","90","","90","","2025.4","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H32 N2 O2 W -","- C20 H32 N2 O2 W -","- C80 H128 N8 O8 W4 -","4","0.5","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0133","0.0111","","","0.0248","0.0254","","","","","","1","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102991","8.2012","0.0002","10.4016","0.0002","17.8398","0.0004","90","","95.877","0.001","90","","1513.84","0.06","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18.67 H29.33 N5.33 Ni1.33 O4 -","- C18.6667 H29.3333 N5.33333 Ni1.33333 O4 -","- C56 H88 N16 Ni4 O12 -","3","0.75","","Xavi Ribas; Carlos Calle; Albert Poater; Alicia Casitas; Laura Gómez; Raül Xifra; Teodor Parella; Jordi Benet-Buchholz; Arthur Schweiger; George Mitrikas; Miquel Solà; Antoni Llobet; T. Daniel P. Stack","Facile C-H Bond Cleavage via a Proton-Coupled Electron Transfer Involving a C-H...CuII Interaction","Journal of the American Chemical Society","2010","132","","12299","12306","10.1021/ja101599e","","","0.71073","MoKα","","0.036","0.033","","","0.0887","0.0909","","","","","","1.048","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102992","18.595","0.002","22.072","0.002","15.8951","0.0017","90","","106.429","0.002","90","","6257.4","1.1","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","1","","","- C78 H84 Au N O4 P2 -","- C78 H84 Au N O4 P2 -","- C312 H336 Au4 N4 O16 P8 -","4","1","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.0467","0.0354","","","0.0738","0.0837","","","","","","1.043","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102993","17.8938","0.0009","15.1515","0.0008","15.3494","0.0008","90","","103.356","0.001","90","","4048.9","0.4","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2","","","- C50 H48 Au N O2 P2 -","- C50 H48 Au N O2 P2 -","- C200 H192 Au4 N4 O8 P8 -","4","0.5","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.0372","0.029","","","0.0625","0.0655","","","","","","1.03","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102994","17.9902","0.0017","16.2836","0.0016","15.1191","0.0015","90","","103.233","0.002","90","","4311.5","0.7","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","3","","","- C52 H52 Au N O2 P2 -","- C52 H52 Au N O2 P2 -","- C208 H208 Au4 N4 O8 P8 -","4","0.5","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.0975","0.0487","","","0.0843","0.0993","","","","","","0.986","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102995","17.815","0.002","17.815","0.002","55.126","0.007","90","","90","","90","","17496","4","100","0.1","100","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","4","","","- C168 H216 Au4 Cu4 O16 -","- C168 H216 Au4 Cu4 O16 -","- C672 H864 Au16 Cu16 O64 -","4","0.5","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.1235","0.0758","","","0.1809","0.2011","","","","","","0.98","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102996","17.1668","0.0012","16.0171","0.0011","26.2354","0.0018","90","","103.724","0.001","90","","7007.8","0.8","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","6a","","","- C78 H84 Au3 Cu2 N O6 P2 -","- C78 H84 Au3 Cu2 N O6 P2 -","- C312 H336 Au12 Cu8 N4 O24 P8 -","4","1","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.089","0.0444","","","0.0829","0.0977","","","","","","0.99","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102997","18.0506","0.0013","20.7398","0.0015","22.5954","0.0016","90","","90","","90","","8458.9","1.1","100","0.1","100","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","6b","","","- C82 H92 Au3 Cl8 Cu2 N O6 P2 -","- C82 H92 Au3 Cl8 Cu2 N O6 P2 -","- C328 H368 Au12 Cl32 Cu8 N4 O24 P8 -","4","1","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.093","0.0496","","","0.1084","0.126","","","","","","1.026","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102998","11.7932","0.001","26.194","0.002","13.0147","0.0011","90","","97.469","0.002","90","","3986.3","0.6","100","0.1","100","0.1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","7a","","","- C88 H106 Au3 Cu2 N O7 P2 -","- C88 H106 Au3 Cu2 N O7 P2 -","- C176 H212 Au6 Cu4 N2 O14 P4 -","2","0.5","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.1106","0.0544","","","0.1026","0.1219","","","","","","1.028","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102999","22.7061","0.0017","14.5944","0.0011","26.198","0.002","90","","91.06","0.002","90","","8680.1","1.1","100","0.1","100","0.1","","","","","","","","8","C 1 c 1","C -2yc","9","7b","","","- C90.39 H111.35 Au3 Cl2.53 Cu2 N O7.28 P2 -","- C90.391 H111.346 Au3 Cl2.526 Cu2 N O7.282 P2 -","- C361.564 H445.384 Au12 Cl10.104 Cu8 N4 O29.128 P8 -","4","1","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.0656","0.048","","","0.0968","0.1034","","","","","","0.995","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4103000","18.3693","0.0013","18.5923","0.0013","23.6603","0.0017","90","","94.312","0.001","90","","8057.8","1","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","7c","","","- C84 H96 Au3 Cu2 N O6 P2 -","- C84 H96 Au3 Cu2 N O6 P2 -","- C336 H384 Au12 Cu8 N4 O24 P8 -","4","1","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.0922","0.0514","","","0.1084","0.1198","","","","","","0.983","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103001","7.488","0.005","5.266","0.002","9.131","0.006","90","","112.604","0.008","90","","332.4","0.3","93","2","93","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 N8 -","- C4 H4 N8 -","- C8 H8 N16 -","2","0.5","","Yu-Chuan Li; Cai Qi; Sheng-Hua Li; Hui-Juan Zhang; Cheng-Hui Sun; Yong-Zhong Yu; Si-Ping Pang","1,1'-Azobis-1,2,3-triazole: A High-Nitrogen Compound with Stable N8Structure and Photochromism","Journal of the American Chemical Society","2010","132","","12172","12173","10.1021/ja103525v","","","0.71073","MoKα","","0.0365","0.0304","","","0.0814","0.0847","","","","","","1.006","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103002","6.0927","0.0002","7.3057","0.0003","21.0808","0.0008","80.027","0.002","86.454","0.002","67.354","0.002","852.89","0.06","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C20 H34 O -","- C20 H34 O -","- C40 H68 O2 -","2","2","","Yajing Lian; Laura C. Miller; Stephen Born; Richmond Sarpong; Huw M. L. Davies","Catalyst-Controlled Formal [4 + 3] Cycloaddition Applied to the Total Synthesis of (+)-Barekoxide and (-)-Barekol","Journal of the American Chemical Society","2010","132","","12422","12425","10.1021/ja103916t","","","1.54178","CuKα","","0.039","0.0389","","","0.1081","0.1082","","","","","","1.04","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103003","10.4699","0.001","14.4005","0.0014","14.6794","0.0015","90","","105.735","0.002","90","","2130.3","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","jonmg11","","","- C19 H35 N Ni P2 S -","- C19 H35 N Ni P2 S -","- C76 H140 N4 Ni4 P8 S4 -","4","1","","Matthew R. Grochowski; Ting Li; William W. Brennessel; William D. Jones","Competitive Carbon-Sulfur vs Carbon-Carbon Bond Activation of 2-Cyanothiophene with [Ni(dippe)H]2","Journal of the American Chemical Society","2010","132","","12412","12421","10.1021/ja104158h","","","0.71073","MoKα","","0.083","0.0508","","","0.1264","0.1413","","","","","","1.051","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103004","10.4435","0.0014","15.405","0.002","14.9862","0.0019","90","","110.245","0.002","90","","2262.1","0.5","100","0.1","100","0.1","","","","","","","","6","P 1 c 1","P -2yc","7","jonmg19","","","- C20 H34 N2 Ni P2 S -","- C20 H34 N2 Ni P2 S -","- C80 H136 N8 Ni4 P8 S4 -","4","2","","Matthew R. Grochowski; Ting Li; William W. Brennessel; William D. Jones","Competitive Carbon-Sulfur vs Carbon-Carbon Bond Activation of 2-Cyanothiophene with [Ni(dippe)H]2","Journal of the American Chemical Society","2010","132","","12412","12421","10.1021/ja104158h","","","0.71073","MoKα","","0.1083","0.0639","","","0.119","0.1374","","","","","","0.977","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103005","15.893","0.003","13.864","0.002","19.718","0.003","90","","90","","90","","4344.7","1.2","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","jonmg15","","","- C19 H35 N Ni P2 S -","- C19 H35 N Ni P2 S -","- C152 H280 N8 Ni8 P16 S8 -","8","1","","Matthew R. Grochowski; Ting Li; William W. Brennessel; William D. Jones","Competitive Carbon-Sulfur vs Carbon-Carbon Bond Activation of 2-Cyanothiophene with [Ni(dippe)H]2","Journal of the American Chemical Society","2010","132","","12412","12421","10.1021/ja104158h","","","0.71073","MoKα","","0.1014","0.0483","","","0.0875","0.1056","","","","","","1.015","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103006","8.3149","0.0004","15.7589","0.0008","17.7572","0.0009","81.337","0.001","88.804","0.001","78.284","0.001","2252.21","0.19","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","jonmg17","","","- C20.5 H36.5 N Ni P2 S -","- C20.5 H36.5 N Ni P2 S -","- C82 H146 N4 Ni4 P8 S4 -","4","2","","Matthew R. Grochowski; Ting Li; William W. Brennessel; William D. Jones","Competitive Carbon-Sulfur vs Carbon-Carbon Bond Activation of 2-Cyanothiophene with [Ni(dippe)H]2","Journal of the American Chemical Society","2010","132","","12412","12421","10.1021/ja104158h","","","0.71073","MoKα","","0.0965","0.0517","","","0.0933","0.1117","","","","","","0.989","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103007","6.709","0.002","11.712","0.004","23.352","0.007","90","","90","","90","","1834.9","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O4 S -","- C20 H26 O4 S -","- C80 H104 O16 S4 -","4","1","","Jimmie D. Weaver; Being J. Ka; David K. Morris; Ward Thompson; Jon A. Tunge","Stereospecific Decarboxylative Allylation of Sulfones","Journal of the American Chemical Society","2010","132","","12179","12181","10.1021/ja104196x","","","0.71073","MoKα","","0.0599","0.0496","","","0.0879","0.0913","","","","","","0.987","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103008","9.11919","0.00008","9.11919","0.00008","9.11919","0.00008","90","","90","","90","","758.348","0.012","","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","","","- Bi3 Mn3 O10.5 -","- Bi2.9998 Mn3 O10.5 -","- Bi11.9992 Mn12 O42 -","4","0.166667","","Alexei A. Belik; Eiji Takayama-Muromachi","Effects of Oxygen Content on Bi3Mn3O11+δ: From 45 K Antiferromagnetism to Room-Temperature True Ferromagnetism","Journal of the American Chemical Society","2010","132","","12426","12432","10.1021/ja1043598","powder diffraction","","0.41916","CuK\α~1~","","","","","","","","","","3.03","","","","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103009","9.11151","0.00006","9.11151","0.00006","9.11151","0.00006","90","","90","","90","","756.434","0.009","","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","","","- Bi3 Mn3 O11.6 -","- Bi2.9998 Mn3 O11 -","- Bi11.9992 Mn12 O44 -","4","0.166667","","Alexei A. Belik; Eiji Takayama-Muromachi","Effects of Oxygen Content on Bi3Mn3O11+δ: From 45 K Antiferromagnetism to Room-Temperature True Ferromagnetism","Journal of the American Chemical Society","2010","132","","12426","12432","10.1021/ja1043598","powder diffraction","","0.41916","CuK\α~1~","","","","","","","","","","2.42","","","","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103010","32.562","0.008","10.769","0.003","10.969","0.003","90","","102.276","0.005","90","","3758.4","1.7","240","2","240","","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H25 N3 O3 Si -","- C14 H25 N3 O3 Si -","- C112 H200 N24 O24 Si8 -","8","1","","Michel Prévost; Olivier St-Jean; Yvan Guindon","Synthesis of 1',2'-cis-Nucleoside Analogues: Evidence of Stereoelectronic Control for SN2 Reactions at the Anomeric Center of Furanosides","Journal of the American Chemical Society","2010","132","","12433","12439","10.1021/ja104429y","","","0.71073","MoKα","","0.1383","0.086","","","0.2967","0.3362","","","","","","1.127","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103011","13.9007","0.0005","13.6243","0.0005","20.236","0.0008","90","","104.66","0.0004","90","","3707.7","0.2","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H56 Fe K N9 O6 -","- C27 H56 Fe K N9 O6 -","- C108 H224 Fe4 K4 N36 O24 -","4","1","","David C. Lacy; Rupal Gupta; Kari L. Stone; John Greaves; Joseph W. Ziller; Michael P. Hendrich; A. S. Borovik","Formation, Structure, and EPR Detection of a High Spin FeIV-Oxo Species Derived from Either an FeIII-Oxo or FeIII-OH Complex","Journal of the American Chemical Society","2010","132","","12188","12190","10.1021/ja1047818","","","0.71073","MoKα","","0.0289","0.025","","","0.0658","0.0681","","","","","","1.016","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103012","13.3724","0.0003","13.3724","0.0003","13.3724","0.0003","90","","90","","90","","2391.27","0.09","298","2","298","2","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Cs18 O6 Tl8 -","- Cs18 O6 Tl8 -","- Cs36 O12 Tl16 -","2","0.0833333","","Ulrich Wedig; Vyacheslav Saltykov; Jürgen Nuss; Martin Jansen","Homoatomic Stella Quadrangula [Tl8]6- in Cs18Tl8O6, Interplay of Spin-Orbit Coupling, and Jahn-Teller Distortion","Journal of the American Chemical Society","2010","132","","12458","12463","10.1021/ja1051022","","x-ray","0.71073","MoKα","","0.0299","0.0248","","","0.0519","0.0536","","","","","","1.098","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103013","31.782","0.005","31.782","0.005","12.388","0.003","90","","90","","120","","10837","4","90","2","90","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C39.72 H36 N24 O19.44 -","- C39.72 H36 N24 O19.44 -","- C357.48 H324 N216 O174.96 -","9","0.5","","Hyunuk Kim; Yonghwi Kim; Minyoung Yoon; Soyoung Lim; Se Min Park; Gon Seo; Kimoon Kim","Highly Selective Carbon Dioxide Sorption in an Organic Molecular Porous Material","Journal of the American Chemical Society","2010","132","","12200","12202","10.1021/ja105211w","","","0.75","synchrotron","","0.0957","0.0821","","","0.2335","0.2466","","","","","","1.094","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103014","9.752","0.002","11.925","0.003","12.577","0.003","102.896","0.002","107.463","0.004","95.645","0.002","1338.3","0.5","113","2","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H25 N O4 -","- C36 H25 N O4 -","- C72 H50 N2 O8 -","2","1","","Koya Prabhakara Rao; Tetsuro Kusamoto; Fumiyuki Toshimitsu; Kiyotaka Inayoshi; Shoko Kume; Ryota Sakamoto; Hiroshi Nishihara","Double Protonation of 1,5-Bis(triarylaminoethynyl)anthraquinone To Form a Paramagnetic Pentacyclic Dipyrylium Salt","Journal of the American Chemical Society","2010","132","","12472","12479","10.1021/ja105250f","","","0.71073","MoKα","","","0.0475","","","","0.1386","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103015","15.703","0.008","10.301","0.004","15.738","0.008","90","","119.718","0.006","90","","2210.9","1.8","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H42 N2 O6 -","- C58 H42 N2 O6 -","- C116 H84 N4 O12 -","2","0.5","","Koya Prabhakara Rao; Tetsuro Kusamoto; Fumiyuki Toshimitsu; Kiyotaka Inayoshi; Shoko Kume; Ryota Sakamoto; Hiroshi Nishihara","Double Protonation of 1,5-Bis(triarylaminoethynyl)anthraquinone To Form a Paramagnetic Pentacyclic Dipyrylium Salt","Journal of the American Chemical Society","2010","132","","12472","12479","10.1021/ja105250f","","","0.71073","MoKα","","0.1363","0.0823","","","0.1698","0.2045","","","","","","1.101","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103016","19.183","0.004","12.104","0.002","21.435","0.004","90","","111.302","0.002","90","","4637","1.5","113.15","","113.115","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H46 Cl2 N2 O6 -","- C59 H46 Cl2 N2 O6 -","- C236 H184 Cl8 N8 O24 -","4","1","","Koya Prabhakara Rao; Tetsuro Kusamoto; Fumiyuki Toshimitsu; Kiyotaka Inayoshi; Shoko Kume; Ryota Sakamoto; Hiroshi Nishihara","Double Protonation of 1,5-Bis(triarylaminoethynyl)anthraquinone To Form a Paramagnetic Pentacyclic Dipyrylium Salt","Journal of the American Chemical Society","2010","132","","12472","12479","10.1021/ja105250f","","","0.71073","MoKα","","0.1117","0.0912","","","0.2544","0.2767","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103017","13.6756","0.0006","18.0856","0.0004","16.844","0.0006","90","","93.29","0.002","90","","4159.2","0.3","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H98 Ca2 I2 O12 -","- C74 H98 Ca2 I2 O12 -","- C148 H196 Ca4 I4 O24 -","2","0.5","","Sven Krieck; Helmar Görls; Matthias Westerhausen","Mechanistic Elucidation of the Formation of the Inverse Ca(I) Sandwich Complex [(thf)~3~Ca(μ-C~6~H~3~-1,3,5-Ph~3~)Ca(thf)~3~]and Stability of Aryl-Substituted Phenylcalcium Complexes","Journal of the American Chemical Society","2010","132","","12492","12501","10.1021/ja105534w","","","0.71073","MoKα","","0.1182","0.0611","","","0.166","0.1957","","","","","","1.025","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103018","24.6771","0.0005","14.9476","0.0004","22.7395","0.0005","90","","92.546","0.001","90","","8379.5","0.3","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C88 H113 Ca2 O10.5 -","- C88 H113 Ca2 O10.5 -","- C352 H452 Ca8 O42 -","4","1","","Sven Krieck; Helmar Görls; Matthias Westerhausen","Mechanistic Elucidation of the Formation of the Inverse Ca(I) Sandwich Complex [(thf)~3~Ca(μ-C~6~H~3~-1,3,5-Ph~3~)Ca(thf)~3~]and Stability of Aryl-Substituted Phenylcalcium Complexes","Journal of the American Chemical Society","2010","132","","12492","12501","10.1021/ja105534w","","","0.71073","MoKα","","0.1591","0.0847","","","0.2304","0.2772","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103019","16.2058","0.0003","8.3923","0.0002","20.4013","0.0007","90","","90","","90","","2774.66","0.13","133","2","133","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C26 H38 Ca N6 -","- C26 H38 Ca N6 -","- C104 H152 Ca4 N24 -","4","1","","Sven Krieck; Helmar Görls; Matthias Westerhausen","Mechanistic Elucidation of the Formation of the Inverse Ca(I) Sandwich Complex [(thf)~3~Ca(μ-C~6~H~3~-1,3,5-Ph~3~)Ca(thf)~3~]and Stability of Aryl-Substituted Phenylcalcium Complexes","Journal of the American Chemical Society","2010","132","","12492","12501","10.1021/ja105534w","","","0.71073","MoKα","","0.0675","0.0491","","","0.1253","0.1346","","","","","","1.043","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103020","10.3305","0.0002","39.9525","0.0009","8.7003","0.0003","90","","121.825","0.002","90","","3051.03","0.15","183","2","183","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H41 Ca I O3 -","- C32 H41 Ca I O3 -","- C128 H164 Ca4 I4 O12 -","4","1","","Sven Krieck; Helmar Görls; Matthias Westerhausen","Mechanistic Elucidation of the Formation of the Inverse Ca(I) Sandwich Complex [(thf)~3~Ca(μ-C~6~H~3~-1,3,5-Ph~3~)Ca(thf)~3~]and Stability of Aryl-Substituted Phenylcalcium Complexes","Journal of the American Chemical Society","2010","132","","12492","12501","10.1021/ja105534w","","","0.71073","MoKα","","0.0527","0.0354","","","0.071","0.0771","","","","","","0.994","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103021","8.50004","0.00012","15.59226","0.00017","11.79506","0.00017","90","","107.735","0.0015","90","","1488.97","0.04","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H32 Cl3 Fe N3 O3 S -","- C28 H32 Cl3 Fe N3 O3 S -","- C56 H64 Cl6 Fe2 N6 O6 S2 -","2","1","","Yunbo Jiang; Leland R. Widger; Gary D. Kasper; Maxime A. Siegler; David P. Goldberg","Iron(II)-Thiolate S-Oxygenation by O2: Synthetic Models of Cysteine Dioxygenase","Journal of the American Chemical Society","2010","132","","12214","12215","10.1021/ja105591q","","","0.71073","MoKα","","0.0419","0.0399","","","0.1134","0.1148","","","","","","1.12","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103022","18.8432","0.0004","19.1963","0.0003","8.27657","0.00018","90","","101.465","0.002","90","","2934.06","0.1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 F3 Fe N3 O3 S2 -","- C28 H30 F3 Fe N3 O3 S2 -","- C112 H120 F12 Fe4 N12 O12 S8 -","4","1","","Yunbo Jiang; Leland R. Widger; Gary D. Kasper; Maxime A. Siegler; David P. Goldberg","Iron(II)-Thiolate S-Oxygenation by O2: Synthetic Models of Cysteine Dioxygenase","Journal of the American Chemical Society","2010","132","","12214","12215","10.1021/ja105591q","","","0.71073","MoKα","","0.061","0.0413","","","0.0936","0.0996","","","","","","1.052","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103023","8.19913","0.00015","18.9654","0.0003","29.7683","0.0004","84.8769","0.0012","82.5395","0.0014","79.5386","0.0014","4503.22","0.13","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C85 H93 F9 N10 O11 S6 Zn3 -","- C85 H93 F9 N10 O11 S6 Zn3 -","- C170 H186 F18 N20 O22 S12 Zn6 -","2","1","","Yunbo Jiang; Leland R. Widger; Gary D. Kasper; Maxime A. Siegler; David P. Goldberg","Iron(II)-Thiolate S-Oxygenation by O2: Synthetic Models of Cysteine Dioxygenase","Journal of the American Chemical Society","2010","132","","12214","12215","10.1021/ja105591q","","","0.71073","MoKα","","0.0646","0.04","","","0.0895","0.0947","","","","","","0.958","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103024","15.8965","0.0005","18.4656","0.0007","19.6998","0.0007","103.979","0.003","104.433","0.003","111.394","0.003","4846.8","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C139.2 H252.8 Cu24 N8 O24 Si16 -","- C139.2 H252.8 Cu24 N8 O24 Si16 -","- C139.2 H252.8 Cu24 N8 O24 Si16 -","1","0.5","","Gengwen Tan; Ying Yang; Chenhui Chu; Hongping Zhu; Herbert W. Roesky","Cu24O24Si8R8: Organic Soluble 56-Membered Copper(I) Siloxane Cage and Its Use in Homogeneous Catalysis","Journal of the American Chemical Society","2010","132","","12231","12233","10.1021/ja1056104","","","0.71073","MoKα","","0.0929","0.0399","","","0.0619","0.0672","","","","","","0.727","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103025","34.7585","0.0006","17.8536","0.0004","25.6731","0.0005","90","","129.476","0.001","90","","12297.6","0.5","123","2","123","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C101 H34 Cl O S2 -","- C101.5 H34 Cl2 O S -","- C812 H272 Cl16 O8 S8 -","8","1","","Zuo Xiao; Yutaka Matsuo; Eiichi Nakamura","Copper-Catalyzed Formal [4 + 2] Annulation between Alkyne and Fullerene Bromide","Journal of the American Chemical Society","2010","132","","12234","12236","10.1021/ja1056399","","x-ray","1.5418","CuKα","","0.1087","0.0799","","","0.2424","0.2643","","","","","","1.08","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103026","34.6322","0.0006","17.6805","0.0003","25.6132","0.0005","90","","129.525","0.001","90","","12097.3","0.4","123","2","123","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","C60Ph4CHCC6H4BrC6H3","","- C99.5 H29 Br S3 -","- C99.5 H29 Br S3 -","- C796 H232 Br8 S24 -","8","1","","Zuo Xiao; Yutaka Matsuo; Eiichi Nakamura","Copper-Catalyzed Formal [4 + 2] Annulation between Alkyne and Fullerene Bromide","Journal of the American Chemical Society","2010","132","","12234","12236","10.1021/ja1056399","","x-ray","1.54187","CuKα","","0.0904","0.0839","","","0.2623","0.269","","","","","","1.083","","","","has coordinates","269108","2021-09-13","08:22:43",""
"4103027","14.134","","17.167","","27.418","","90","","105.99","","90","","6395.27","","153","2","153","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C104 H34 Cl6 -","- C103.5 H33.5 Cl6 -","- C414 H134 Cl24 -","4","1","","Zuo Xiao; Yutaka Matsuo; Eiichi Nakamura","Copper-Catalyzed Formal [4 + 2] Annulation between Alkyne and Fullerene Bromide","Journal of the American Chemical Society","2010","132","","12234","12236","10.1021/ja1056399","","x-ray","1.54187","CuKα","","0.2169","0.128","","","0.3543","0.3937","","","","","","1.068","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103028","15.478","0.003","14.753","0.003","16.184","0.003","90","","95.025","0.004","90","","3681.4","1.2","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H57 Cl9 N4 O5 P2 -","- C84 H57 Cl9 N4 O5 P2 -","- C168 H114 Cl18 N8 O10 P4 -","2","1","","Daisuke Uraguchi; Natsuko Kinoshita; Takashi Ooi","Catalytic Asymmetric Protonation of α-Amino Acid-Derived Ketene Disilyl Acetals Using P-Spiro Diaminodioxaphosphonium Barfates as Chiral Proton","Journal of the American Chemical Society","2010","132","","12240","12242","10.1021/ja105945z","","","0.71073","MoKα","","0.073","0.0618","","","0.1501","0.1591","","","","","","1.052","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103029","27.528","0.005","12.447","0.002","13.383","0.002","90","","90","","90","","4585.6","1.3","153","2","153","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C58 H45 N2 O4 P -","- C58 H45 N2 O4 P -","- C232 H180 N8 O16 P4 -","4","1","","Daisuke Uraguchi; Natsuko Kinoshita; Takashi Ooi","Catalytic Asymmetric Protonation of α-Amino Acid-Derived Ketene Disilyl Acetals Using P-Spiro Diaminodioxaphosphonium Barfates as Chiral Proton","Journal of the American Chemical Society","2010","132","","12240","12242","10.1021/ja105945z","","","0.71073","MoKα","","0.1117","0.0835","","","0.1446","0.1557","","","","","","1.113","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103030","10.5548","0.0016","6.4174","0.001","15.7227","0.0019","90","","98.09","0.011","90","","1054.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 N O3 -","- C26 H23 N O3 -","- C52 H46 N2 O6 -","2","1","","Manuel Weber; Sascha Jautze; Wolfgang Frey; René Peters","Bispalladacycle-Catalyzed Brønsted Acid/Base-Promoted Asymmetric Tandem Azlactone Formation-Michael Addition","Journal of the American Chemical Society","2010","132","","12222","12225","10.1021/ja106088v","","","0.71073","MoKα","","0.0798","0.0522","","","0.1033","0.1139","","","","","","1.051","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103031","9.4054","0.0013","10.0178","0.0018","13.724","0.002","90","","93.009","0.012","90","","1291.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H34 N2 O5 -","- C27 H34 N2 O5 -","- C54 H68 N4 O10 -","2","1","","Manuel Weber; Sascha Jautze; Wolfgang Frey; René Peters","Bispalladacycle-Catalyzed Brønsted Acid/Base-Promoted Asymmetric Tandem Azlactone Formation-Michael Addition","Journal of the American Chemical Society","2010","132","","12222","12225","10.1021/ja106088v","","","0.71073","MoKα","","0.1144","0.0633","","","0.1065","0.1209","","","","","","1.046","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103032","26.6125","0.0009","12.1901","0.0004","21.7234","0.0007","90","","105.191","0.002","90","","6801","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ru2(D(3,5-Cl2)PhF)3N(C13H6N2Cl4)(Hexane)","","","- C58 H42 Cl16 N9 Ru2 -","- C58 H42 Cl16 N9 Ru2 -","- C232 H168 Cl64 N36 Ru8 -","4","0.5","","Amanda Kae Musch Long; Renyuan Pony Yu; George H. Timmer; John F. Berry","Aryl C-H Bond Amination by an Electrophilic Diruthenium Nitride","Journal of the American Chemical Society","2010","132","","12228","12230","10.1021/ja1062955","","","0.71073","MoKα","","0.0515","0.0455","","","0.1277","0.1331","","","","","","1.079","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103033","18.753","0.0018","8.7476","0.0008","24.797","0.003","90","","108.605","0.005","90","","3855.2","0.7","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","mp_apso","mp_apso","","- C24 H24 N4 O -","- C24 H24 N4 O -","- C192 H192 N32 O8 -","8","1","","Dinesh G. Patel; Michelle M. Paquette; Roni A. Kopelman; Werner Kaminsky; Michael J. Ferguson; Natia L. Frank","A Solution- and Solid-State Investigation of Medium Effects on Charge Separation in Metastable Photomerocyanines","Journal of the American Chemical Society","2010","132","","12568","12586","10.1021/ja100238h","","","0.71073","MoKα","","0.0702","0.0469","","","0.1174","0.1352","","","","","","1.005","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103034","11.0123","0.0006","11.1746","0.0006","14.6641","0.0008","72.493","0.003","89.767","0.003","83.308","0.003","1708.31","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","IIQSO_triclinic","IIQSO_triclinic","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C84 H76 N12 O4 -","4","2","","Dinesh G. Patel; Michelle M. Paquette; Roni A. Kopelman; Werner Kaminsky; Michael J. Ferguson; Natia L. Frank","A Solution- and Solid-State Investigation of Medium Effects on Charge Separation in Metastable Photomerocyanines","Journal of the American Chemical Society","2010","132","","12568","12586","10.1021/ja100238h","","","0.71073","MoKα","","0.0597","0.0507","","","0.1273","0.1362","","","","","","1.081","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103035","14.5008","0.0005","8.9511","0.0003","14.8771","0.0006","90","","107.092","0.002","90","","1845.73","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","IPSO","IPSO","","- C24 H20 N4 O -","- C24 H20 N4 O -","- C96 H80 N16 O4 -","4","1","","Dinesh G. Patel; Michelle M. Paquette; Roni A. Kopelman; Werner Kaminsky; Michael J. Ferguson; Natia L. Frank","A Solution- and Solid-State Investigation of Medium Effects on Charge Separation in Metastable Photomerocyanines","Journal of the American Chemical Society","2010","132","","12568","12586","10.1021/ja100238h","","","0.71073","MoKα","","0.0608","0.045","","","0.1236","0.1368","","","","","","1.022","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103036","6.6536","0.0012","16.165","0.003","20.809","0.004","90","","93.277","0.002","90","","2234.5","0.7","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N4 O4 -","- C24 H30 N4 O4 -","- C96 H120 N16 O16 -","4","1","","Dinesh G. Patel; Michelle M. Paquette; Roni A. Kopelman; Werner Kaminsky; Michael J. Ferguson; Natia L. Frank","A Solution- and Solid-State Investigation of Medium Effects on Charge Separation in Metastable Photomerocyanines","Journal of the American Chemical Society","2010","132","","12568","12586","10.1021/ja100238h","","","0.71073","MoKα","","0.1056","0.0906","","","0.2458","0.2565","","","","","","1.149","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103037","18.7213","0.0009","28.552","0.0013","15.053","0.0007","90","","110.596","0.0011","90","","7532","0.6","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H114 N4 O4 Sn -","- C84 H114 N4 O4 Sn -","- C336 H456 N16 O16 Sn4 -","4","0.5","","Yohsuke Yamamoto; Yusuke Hirata; Megumi Kodama; Torahiko Yamaguchi; Shiro Matsukawa; Kin-ya Akiba; Daisuke Hashizume; Fujiko Iwasaki; Atsuya Muranaka; Masanobu Uchiyama; Ping Chen; Karl M. Kadish; Nagao Kobayashi","Synthesis, Reactions, and Electronic Properties of 16 π-Electron Octaisobutyltetraphenylporphyrin","Journal of the American Chemical Society","2010","132","","12627","12638","10.1021/ja102817a","","","0.71075","MoKα","","0.042","0.0374","","","0.0927","0.0951","","","","","","1.096","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103038","17.2189","0.0016","26.742","0.002","18.455","0.0013","90","","117.39","0.006","90","","7545.3","1.1","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H114 N4 O5 Zn -","- C82 H109 N4 O5 Zn -","- C328 H436 N16 O20 Zn4 -","4","1","","Yohsuke Yamamoto; Yusuke Hirata; Megumi Kodama; Torahiko Yamaguchi; Shiro Matsukawa; Kin-ya Akiba; Daisuke Hashizume; Fujiko Iwasaki; Atsuya Muranaka; Masanobu Uchiyama; Ping Chen; Karl M. Kadish; Nagao Kobayashi","Synthesis, Reactions, and Electronic Properties of 16 π-Electron Octaisobutyltetraphenylporphyrin","Journal of the American Chemical Society","2010","132","","12627","12638","10.1021/ja102817a","","","0.71075","MoKα","","0.1542","0.0885","","","0.2168","0.2582","","","","","","1.038","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103039","17.5658","0.0004","27.0237","0.0007","18.013","0.0004","90","","117.338","0.0007","90","","7595.6","0.3","173","","173","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C79 H98 Cl6 Cu N4 -","- C79 H98 Cl6 Cu N4 -","- C316 H392 Cl24 Cu4 N16 -","4","1","","Yohsuke Yamamoto; Yusuke Hirata; Megumi Kodama; Torahiko Yamaguchi; Shiro Matsukawa; Kin-ya Akiba; Daisuke Hashizume; Fujiko Iwasaki; Atsuya Muranaka; Masanobu Uchiyama; Ping Chen; Karl M. Kadish; Nagao Kobayashi","Synthesis, Reactions, and Electronic Properties of 16 π-Electron Octaisobutyltetraphenylporphyrin","Journal of the American Chemical Society","2010","132","","12627","12638","10.1021/ja102817a","","","0.71075","MoKα","","0.102","0.0713","","","0.1704","0.1857","","","","","","1.06","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103040","17.56","0.02","27.034","0.014","18.17","0.03","90","","117.05","0.17","90","","7682","2","173","","173","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C79 H98 Cl6 N4 Pd -","- C79 H98 Cl6 N4 Pd -","- C316 H392 Cl24 N16 Pd4 -","4","1","","Yohsuke Yamamoto; Yusuke Hirata; Megumi Kodama; Torahiko Yamaguchi; Shiro Matsukawa; Kin-ya Akiba; Daisuke Hashizume; Fujiko Iwasaki; Atsuya Muranaka; Masanobu Uchiyama; Ping Chen; Karl M. Kadish; Nagao Kobayashi","Synthesis, Reactions, and Electronic Properties of 16 π-Electron Octaisobutyltetraphenylporphyrin","Journal of the American Chemical Society","2010","132","","12627","12638","10.1021/ja102817a","","","0.71075","MoKα","","0.0868","0.056","","","0.1611","0.1703","","","","","","1.03","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103041","19.1765","0.0009","19.4319","0.0009","41.7319","0.0019","90","","90","","90","","15550.8","1.2","173","","173","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C76 H106 Cu F6 N4 O7 Sb -","- C76 H92 Cu F6 N4 O7 Sb -","- C608 H736 Cu8 F48 N32 O56 Sb8 -","8","0.5","","Yohsuke Yamamoto; Yusuke Hirata; Megumi Kodama; Torahiko Yamaguchi; Shiro Matsukawa; Kin-ya Akiba; Daisuke Hashizume; Fujiko Iwasaki; Atsuya Muranaka; Masanobu Uchiyama; Ping Chen; Karl M. Kadish; Nagao Kobayashi","Synthesis, Reactions, and Electronic Properties of 16 π-Electron Octaisobutyltetraphenylporphyrin","Journal of the American Chemical Society","2010","132","","12627","12638","10.1021/ja102817a","","","0.71075","MoKα","","0.0647","0.0627","","","0.179","0.1811","","","","","","1.096","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103042","14.2691","0.001","14.3504","0.001","20.8703","0.0014","99.7682","0.0019","97.5856","0.0019","108.675","0.0018","3909.6","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C78.5 H97 Cl6.5 N4 Zn2 -","- C78.5 H97 Cl6.5 N4 Zn2 -","- C157 H194 Cl13 N8 Zn4 -","2","1","","Yohsuke Yamamoto; Yusuke Hirata; Megumi Kodama; Torahiko Yamaguchi; Shiro Matsukawa; Kin-ya Akiba; Daisuke Hashizume; Fujiko Iwasaki; Atsuya Muranaka; Masanobu Uchiyama; Ping Chen; Karl M. Kadish; Nagao Kobayashi","Synthesis, Reactions, and Electronic Properties of 16 π-Electron Octaisobutyltetraphenylporphyrin","Journal of the American Chemical Society","2010","132","","12627","12638","10.1021/ja102817a","","","0.71075","MoKα","","0.1712","0.0845","","","0.2012","0.2569","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103043","10.2451","0.0004","18.7518","0.0007","29.8201","0.0013","90","","91.639","0.003","90","","5726.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C1-#23863-C78(C6H5CH2OO)Cl7","","","- C85 H7 Cl7 O2 -","- C85 H7 Cl7 O2 -","- C340 H28 Cl28 O8 -","4","1","","Yuan-Zhi Tan; Jia Li; Ting Zhou; Yu-Qi Feng; Shui-Chao Lin; Xin Lu; Zhuang-Ping Zhan; Su-Yuan Xie; Rong-Bin Huang; Lan-Sun Zheng","Pentagon-Fused Hollow Fullerene in C78 Family Retrieved by Chlorination","Journal of the American Chemical Society","2010","132","","12648","12652","10.1021/ja102887t","","","0.71073","MoKα","","0.1275","0.0624","","","0.1132","0.1278","","","","","","0.926","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103044","9.952","0.002","15.876","0.003","15.877","0.003","77.41","0.03","83.69","0.03","88.42","0.03","2433.4","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H26 Cl3 N3 O3 -","- C80 H26 Cl3 N3 O3 -","- C160 H52 Cl6 N6 O6 -","2","1","","Cheng-Che Chu; Guillaume Raffy; Debdas Ray; André Del Guerzo; Brice Kauffmann; Guillaume Wantz; Lionel Hirsch; Dario M. Bassani","Self-Assembly of Supramolecular Fullerene Ribbons via Hydrogen-Bonding Interactions and Their Impact on Fullerene Electronic Interactions and Charge Carrier Mobility","Journal of the American Chemical Society","2010","132","","12717","12723","10.1021/ja104750f","","","0.855","synchrotronradiation","","0.125","0.1122","","","0.3345","0.349","","","","","","1.657","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103045","23.8726","0.0016","5.0504","0.0003","21.1244","0.0014","90","","107.107","0.002","90","","2434.2","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C112 H128 O24 -","8","1","","Tse-Min Teng; Arindam Das; Deepak B. Huple; Rai-Shung Liu","Gold-Catalyzed Stereoselective Synthesis of 9-Oxabicyclo[3.3.1]nona-4,7-dienes from Diverse 1-Oxo-4-oxy-5-ynes: A Viable Formal [4 + 2] Cycloaddition on an s-trans-Heterodiene Framework","Journal of the American Chemical Society","2010","132","","12565","12567","10.1021/ja106493h","","","0.71073","MoKα","","0.0851","0.0445","","","0.1189","0.153","","","","","","1.043","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103046","39.583","0.007","39.583","0.007","9.3091","0.0015","90","","90","","90","","14586","4","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C40 H44 O8 -","- C40 H44 O8 -","- C640 H704 O128 -","16","1","","Tse-Min Teng; Arindam Das; Deepak B. Huple; Rai-Shung Liu","Gold-Catalyzed Stereoselective Synthesis of 9-Oxabicyclo[3.3.1]nona-4,7-dienes from Diverse 1-Oxo-4-oxy-5-ynes: A Viable Formal [4 + 2] Cycloaddition on an s-trans-Heterodiene Framework","Journal of the American Chemical Society","2010","132","","12565","12567","10.1021/ja106493h","","","0.71073","MoKα","","0.1624","0.0745","","","0.1663","0.1991","","","","","","0.929","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103047","14.5979","0.001","13.6986","0.0011","21.6725","0.0016","90","","103.25","0.006","90","","4218.5","0.6","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H20 N8 O14 Ru Zn -","- C40 H20 N8 O14 Ru Zn -","- C160 H80 N32 O56 Ru4 Zn4 -","4","1","","Caleb A. Kent; Brian P. Mehl; Liqing Ma; John M. Papanikolas; Thomas J. Meyer; Wenbin Lin","Energy Transfer Dynamics in Metal-Organic Frameworks","Journal of the American Chemical Society","2010","132","","12767","12769","10.1021/ja102804s","","","1.54178","CuKα","","0.1074","0.0802","","","0.2164","0.2401","","","","","","1.083","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103048","14.5979","0.001","13.6986","0.0011","21.6725","0.0016","90","","103.25","0.006","90","","4218.5","0.6","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 N6 O8 Ru Zn -","- C34 H20 N6 O8 Ru Zn -","- C136 H80 N24 O32 Ru4 Zn4 -","4","1","","Caleb A. Kent; Brian P. Mehl; Liqing Ma; John M. Papanikolas; Thomas J. Meyer; Wenbin Lin","Energy Transfer Dynamics in Metal-Organic Frameworks","Journal of the American Chemical Society","2010","132","","12767","12769","10.1021/ja102804s","","","1.54178","CuKα","","0.0813","0.0624","","","0.1558","0.1634","","","","","","1.085","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103049","13.2807","0.0004","13.2807","0.0004","52.5695","0.0017","90","","90","","120","","8029.8","0.4","123","2","123","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C57.5 H62 N2 O2 Zn2 -","- C57.5 H62 N2 O2 Zn2 -","- C345 H372 N12 O12 Zn12 -","6","1","","Sefer Ay; R. E. Ziegert; H. Zhang; Martin Nieger; Kari Rissanen; K. Fink; A. Kubas; Ruth M. Gschwind; Stefan Bräse","NMR-Spectroscopic and Solid-State Investigations of Cometal-Free Asymmetric Conjugate Addition: A Dinuclear Paracyclophaneimine Zinc Methyl Complex","Journal of the American Chemical Society","2010","132","","12899","12905","10.1021/ja1032502","","","0.71073","MoKα","","0.0534","0.046","","","0.1149","0.12","","","","","","1.092","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103050","14.362","0.0017","17.989","0.003","15.7391","0.0017","90","","94.13","0.009","90","","4055.8","0.9","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H19 B Cu F20 N3 O -","- C44 H19 B Cu F20 N3 O -","- C176 H76 B4 Cu4 F80 N12 O4 -","4","1","","Heather R. Lucas; Gerald J. Meyer; Kenneth D. Karlin","CO and O2 Binding to Pseudo-tetradentate Ligand-Copper(I) Complexes with a Variable N-Donor Moiety: Kinetic/Thermodynamic Investigation Reveals Ligand-Induced Changes in Reaction Mechanism","Journal of the American Chemical Society","2010","132","","12927","12940","10.1021/ja104107q","","","0.71073","MoKα","","0.0496","0.0309","","","0.0764","0.0797","","","","","","1.064","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103051","20.1276","0.0002","20.3135","0.0002","20.7405","0.0002","90","","90","","90","","8480","0.14","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H20 B Cu F20 N4 -","- C46 H20 B Cu F20 N4 -","- C368 H160 B8 Cu8 F160 N32 -","8","1","","Heather R. Lucas; Gerald J. Meyer; Kenneth D. Karlin","CO and O2 Binding to Pseudo-tetradentate Ligand-Copper(I) Complexes with a Variable N-Donor Moiety: Kinetic/Thermodynamic Investigation Reveals Ligand-Induced Changes in Reaction Mechanism","Journal of the American Chemical Society","2010","132","","12927","12940","10.1021/ja104107q","","","0.71073","MoKα","","0.066","0.04","","","0.0859","0.106","","","","","","1.135","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103052","16.5778","0.0008","16.6516","0.0005","17.8893","0.0007","90","","100.426","0.004","90","","4856.8","0.3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H30 B Cu F20 N4 O -","- C53 H30 B Cu F20 N4 O -","- C212 H120 B4 Cu4 F80 N16 O4 -","4","1","","Heather R. Lucas; Gerald J. Meyer; Kenneth D. Karlin","CO and O2 Binding to Pseudo-tetradentate Ligand-Copper(I) Complexes with a Variable N-Donor Moiety: Kinetic/Thermodynamic Investigation Reveals Ligand-Induced Changes in Reaction Mechanism","Journal of the American Chemical Society","2010","132","","12927","12940","10.1021/ja104107q","","","0.71073","MoKα","","0.1079","0.0544","","","0.1119","0.1384","","","","","","1.033","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103053","17.87","0.05","19.62","0.05","23.8","0.07","102.46","0.04","104.83","0.04","96.28","0.04","7756","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Tb4Mn4","","","- C135 H155 Mn4 N9 O43 Tb4 -","- C135 H137 Mn4 N9 O43 Tb4 -","- C270 H274 Mn8 N18 O86 Tb8 -","2","1","","Georgios Karotsis; Stuart Kennedy; Simon J. Teat; Christine M. Beavers; Drew A. Fowler; Juan J. Morales; Marco Evangelisti; Scott J. Dalgarno; Euan K. Brechin","[MnIII4LnIII4] Calix[4]arene Clusters as Enhanced Magnetic Coolers and Molecular Magnets","Journal of the American Chemical Society","2010","132","","12983","12990","10.1021/ja104848m","","","0.71073","MoKα","","0.0822","0.0507","","","0.129","0.1413","","","","","","0.977","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103054","17.805","0.002","19.781","0.002","23.563","0.003","102.752","0.002","104.586","0.002","96.203","0.002","7714.7","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","GK2748","","","- C130 H140 Dy4 Mn4 N8 O40 -","- C130 H122 Dy4 Mn4 N8 O40 -","- C260 H244 Dy8 Mn8 N16 O80 -","2","1","","Georgios Karotsis; Stuart Kennedy; Simon J. Teat; Christine M. Beavers; Drew A. Fowler; Juan J. Morales; Marco Evangelisti; Scott J. Dalgarno; Euan K. Brechin","[MnIII4LnIII4] Calix[4]arene Clusters as Enhanced Magnetic Coolers and Molecular Magnets","Journal of the American Chemical Society","2010","132","","12983","12990","10.1021/ja104848m","","","0.7749","synchrotron","","0.0776","0.0511","","","0.1219","0.1313","","","","","","0.921","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103055","12.5554","0.0016","19.869","0.003","19.126","0.002","90","","96.678","0.002","90","","4738.9","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","di(Lithium tetrahydrofuran) Iron(II) tetrakis(bistert-butyl ketimide)","","- C44 H88 Fe Li2 N4 O2 -","- C44 H88 Fe Li2 N4 O2 -","- C176 H352 Fe4 Li8 N16 O8 -","4","1","","Richard A. Lewis; Guang Wu; Trevor W. Hayton","Synthesis and Characterization of an Iron(IV) Ketimide Complex","Journal of the American Chemical Society","2010","132","","12814","12816","10.1021/ja104934n","","","0.71073","MoKα","","0.1309","0.072","","","0.1488","0.1828","","","","","","1.063","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103056","10.7816","0.0017","11.8835","0.0019","18.739","0.003","87.016","0.003","81.074","0.003","69.225","0.003","2217.6","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Lithium dimethoxyethane Iron(III) tetrakis(bistert-butyl ketimide)","","- C40 H82 Fe Li N4 O2 -","- C40 H82 Fe Li N4 O2 -","- C80 H164 Fe2 Li2 N8 O4 -","2","1","","Richard A. Lewis; Guang Wu; Trevor W. Hayton","Synthesis and Characterization of an Iron(IV) Ketimide Complex","Journal of the American Chemical Society","2010","132","","12814","12816","10.1021/ja104934n","","","0.71073","MoKα","","0.0737","0.0465","","","0.101","0.1161","","","","","","1.055","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103057","22.138","0.004","8.5192","0.0016","22.613","0.004","90","","111.493","0.003","90","","3968.2","1.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Iron(IV) tetrakis(bistert-butyl ketimide)","","- C36 H72 Fe N4 -","- C36 H54 Fe N4 -","- C144 H216 Fe4 N16 -","4","0.5","","Richard A. Lewis; Guang Wu; Trevor W. Hayton","Synthesis and Characterization of an Iron(IV) Ketimide Complex","Journal of the American Chemical Society","2010","132","","12814","12816","10.1021/ja104934n","","","0.71073","MoKα","","0.0962","0.0716","","","0.1824","0.1989","","","","","","1.078","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103058","8.7176","0.0018","10.561","0.002","17.692","0.004","90","","104.079","0.003","90","","1579.9","0.6","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 N2 -","- C44 H32 N2 -","- C88 H64 N4 -","2","0.5","","Timothy D. Lash; Sarah A. Jones; Gregory M. Ferrence","Synthesis and Characterization of Tetraphenyl-21,23-dideazaporphyrin: The Best Evidence Yet That Porphyrins Really Are the [18]Annulenes of Nature","Journal of the American Chemical Society","2010","132","","12786","12787","10.1021/ja105146a","","x-ray","0.71073","MoKα","","0.1041","0.0556","","","0.1093","0.1298","","","","","","1.013","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103059","3.8159","0.0001","3.8159","0.0001","6.246","0.0003","90","","90","","90","","90.949","0.006","249","2","249","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","Iron telluride","Iron telluride","","- Fe1.13 S0.05 Te0.95 -","- Fe1.123 S0.052 Te0.948 -","- Fe2.246 S0.104 Te1.896 -","2","0.125","","Pawel Zajdel; Ping-Yen Hsieh; Efrain E. Rodriguez; Nicholas P. Butch; Jeff D. Magill; Johnpierre Paglione; Peter Zavalij; Matthew R. Suchomel; Mark A. Green","Phase Separation and Suppression of the Structural and Magnetic Transitions in Superconducting Doped Iron Tellurides, Fe1+xTe1-ySy","Journal of the American Chemical Society","2010","132","","13000","13007","10.1021/ja105279p","","","0.71073","MoKα","","0.0194","0.0193","","","0.0422","0.0423","","","","","","1","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103060","10.2808","0.0002","11.0503","0.0002","17.9965","0.0004","84.552","0.001","89.25","0.001","67.981","0.001","1886.26","0.07","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H58 N3 P Si -","- C39 H58 N3 P Si -","- C78 H116 N6 P2 Si2 -","2","1","","David Gau; Ricardo Rodriguez; Tsuyoshi Kato; Nathalie Saffon-Merceron; Antoine Baceiredo","Diastereoselective Synthesis of Bulky, Strongly Nucleophilic, and Configurationally Stable P-Stereogenic Tricyclic Phosphines","Journal of the American Chemical Society","2010","132","","12841","12843","10.1021/ja1054912","","","0.71073","MoKα","","0.0626","0.0459","","","0.1134","0.1236","","","","","","1.041","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103061","11.759","0.0003","12.459","0.0002","18.486","0.0003","72.49","0.001","85.614","0.001","62.576","0.001","2286.38","0.08","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H66 N3 O P Si -","- C51 H66 N3 O P Si -","- C102 H132 N6 O2 P2 Si2 -","2","1","","David Gau; Ricardo Rodriguez; Tsuyoshi Kato; Nathalie Saffon-Merceron; Antoine Baceiredo","Diastereoselective Synthesis of Bulky, Strongly Nucleophilic, and Configurationally Stable P-Stereogenic Tricyclic Phosphines","Journal of the American Chemical Society","2010","132","","12841","12843","10.1021/ja1054912","","","0.71073","MoKα","","0.0726","0.0541","","","0.1403","0.154","","","","","","1.05","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103062","11.2805","0.0008","10.0135","0.0007","33.283","0.002","90","","93.313","0.002","90","","3753.3","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H54 N3 P Si -","- C41 H54 N3 P Si -","- C164 H216 N12 P4 Si4 -","4","1","","David Gau; Ricardo Rodriguez; Tsuyoshi Kato; Nathalie Saffon-Merceron; Antoine Baceiredo","Diastereoselective Synthesis of Bulky, Strongly Nucleophilic, and Configurationally Stable P-Stereogenic Tricyclic Phosphines","Journal of the American Chemical Society","2010","132","","12841","12843","10.1021/ja1054912","","","0.71073","MoKα","","0.114","0.0556","","","0.1114","0.1328","","","","","","1.008","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103063","10.2915","0.0002","14.4688","0.0002","17.2543","0.0003","108.789","0.001","100.115","0.001","92.699","0.001","2379.69","0.07","193","2","193","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C48 H72 Cl3 N3 P Rh Si -","- C48 H72 Cl3 N3 P Rh Si -","- C96 H144 Cl6 N6 P2 Rh2 Si2 -","2","1","","David Gau; Ricardo Rodriguez; Tsuyoshi Kato; Nathalie Saffon-Merceron; Antoine Baceiredo","Diastereoselective Synthesis of Bulky, Strongly Nucleophilic, and Configurationally Stable P-Stereogenic Tricyclic Phosphines","Journal of the American Chemical Society","2010","132","","12841","12843","10.1021/ja1054912","","x-ray","0.71073","MoKα","","0.0752","0.0451","","","0.0945","0.1067","","","","","","0.973","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103064","6.0604","0.0012","10.0127","0.0019","24.814","0.005","90","","90","","90","","1505.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 F5 N O2 -","- C15 H12 F5 N O2 -","- C60 H48 F20 N4 O8 -","4","1","","Shifa Zhu; Xue Xu; Jason A. Perman; X. Peter Zhang","A General and Efficient Cobalt(II)-Based Catalytic System for Highly Stereoselective Cyclopropanation of Alkenes with α-Cyanodiazoacetates","Journal of the American Chemical Society","2010","132","","12796","12799","10.1021/ja1056246","","","1.54178","CuKα","","0.053","0.051","","","0.1296","0.1364","","","","","","1.085","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103065","8.5842","0.0002","8.5197","0.0002","8.4723","0.0002","90","","90","","90","","619.62","0.03","100","2","100","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C14 H19 N O2 -","- C14 H20 N O2 -","- C28 H40 N2 O4 -","2","0.5","","Shifa Zhu; Xue Xu; Jason A. Perman; X. Peter Zhang","A General and Efficient Cobalt(II)-Based Catalytic System for Highly Stereoselective Cyclopropanation of Alkenes with α-Cyanodiazoacetates","Journal of the American Chemical Society","2010","132","","12796","12799","10.1021/ja1056246","","","1.54178","CuKα","","0.0376","0.0375","","","0.0911","0.0915","","","","","","1.145","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103066","6.1618","0.0007","12.7291","0.0014","15.3398","0.0017","90","","90","","90","","1203.2","0.2","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-hydroxy-2-phenyl-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindol-1-one","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Satoshi Takebayashi; Jeremy M. John; Steven H. Bergens","Desymmetrization of meso-Cyclic Imides via Enantioselective Monohydrogenation","Journal of the American Chemical Society","2010","132","","12832","12834","10.1021/ja105783u","","","0.71073","MoKα","","0.0411","0.0358","","","0.083","0.0866","","","","","","1.062","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103067","6.1944","0.0004","12.7213","0.0008","15.5031","0.0009","90","","90","","90","","1221.66","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 F N O2 -","- C15 H14 F N O2 -","- C60 H56 F4 N4 O8 -","4","1","","Satoshi Takebayashi; Jeremy M. John; Steven H. Bergens","Desymmetrization of meso-Cyclic Imides via Enantioselective Monohydrogenation","Journal of the American Chemical Society","2010","132","","12832","12834","10.1021/ja105783u","","","0.71073","MoKα","","0.0304","0.0295","","","0.0799","0.081","","","","","","1.071","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103068","8.7288","0.0003","11.5872","0.0004","17.581","0.0006","90","","103.441","0.0004","90","","1729.48","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 N O -","- C24 H21 N O -","- C96 H84 N4 O4 -","4","2","","Satoshi Takebayashi; Jeremy M. John; Steven H. Bergens","Desymmetrization of meso-Cyclic Imides via Enantioselective Monohydrogenation","Journal of the American Chemical Society","2010","132","","12832","12834","10.1021/ja105783u","","","0.71073","MoKα","","0.0328","0.0302","","","0.0783","0.0841","","","","","","1.052","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103069","13.8572","0.0002","7.249","0.0001","15.4928","0.0003","90","","104.936","0.001","90","","1503.69","0.04","150","2","150","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","RajanBabu1733","","","- C24 H46 B N3 O2 Si Sn -","- C24 H46 B N3 O2 Si Sn -","- C48 H92 B2 N6 O4 Si2 Sn2 -","2","1","","Ramakrishna Reddy Singidi; Amanda M. Kutney; Judith C. Gallucci; T. V. RajanBabu","Stereoselective Cyclization of Functionalized 1,n-Diynes Mediated by [X-Y] Reagents [X-Y = R3Si-SnR'3 or (R2N)2B-SnR'3]: Synthesis and Properties of Atropisomeric 1,3-Dienes","Journal of the American Chemical Society","2010","132","","13078","13087","10.1021/ja105939v","","x-ray","0.71073","MoKα","","0.041","0.0286","","","0.0556","0.0591","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103070","11.561","0.004","11.7","0.004","6.524","0.002","90","","90","","90","","882.5","0.5","293","2","293","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- B5 I O9 Pb2 -","- B5 I O9 Pb2 -","- B20 I4 O36 Pb8 -","4","1","","Yi-Zhi Huang; Li-Ming Wu; Xin-Tao Wu; Long-Hua Li; Ling Chen; Yong-Fan Zhang","Pb2B5O9I: An Iodide Borate with Strong Second Harmonic Generation","Journal of the American Chemical Society","2010","132","","12788","12789","10.1021/ja106066k","","","0.71073","MoKα","","0.0475","0.0454","","","0.1185","0.1212","","","","","","1.14","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103071","12.199","0.004","12.756","0.004","20.89","0.007","90.313","0.004","96.724","0.004","94.821","0.004","3216.5","1.8","95","2","95","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H81 Au2 Cl9 F2 N4 -","- C56 H78 Au2 F2 N4 -","- C112 H156 Au4 F4 N8 -","2","1","","Neal P. Mankad; F. Dean Toste","C-C Coupling Reactivity of an Alkylgold(III) Fluoride Complex with Arylboronic Acids","Journal of the American Chemical Society","2010","132","","12859","12861","10.1021/ja106257n","","","0.71073","MoKα","","0.0788","0.0442","","","0.0948","0.1071","","","","","","0.775","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103072","11.884","0.002","12.592","0.003","12.596","0.003","81.025","0.003","86.999","0.003","66.552","0.002","1708","0.6","128","2","128","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H43 Au Cl6 F2 N2 -","- C28 H41 Au F N2 -","- C56 H82 Au2 F2 N4 -","2","1","","Neal P. Mankad; F. Dean Toste","C-C Coupling Reactivity of an Alkylgold(III) Fluoride Complex with Arylboronic Acids","Journal of the American Chemical Society","2010","132","","12859","12861","10.1021/ja106257n","","","0.71073","MoKα","","0.0271","0.0241","","","0.0744","0.0795","","","","","","0.41","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103073","8.27048","0.00015","11.4124","0.0002","14.4475","0.0003","69.8042","0.001","84.6144","0.0011","88.0854","0.0011","1274.15","0.04","123.1","","123.1","","","","","","","","","5","P 1","P 1","1","","","","- C28 H35 N O2 Si -","- C28 H35 N O2 Si -","- C56 H70 N2 O4 Si2 -","2","2","","Takahiro Nishimura; Hiroki Makino; Makoto Nagaosa; Tamio Hayashi","Rhodium-Catalyzed Enantioselective 1,6-Addition of Arylboronic Acids to Enynamides: Asymmetric Synthesis of Axially Chiral Allenylsilanes","Journal of the American Chemical Society","2010","132","","12865","12867","10.1021/ja1066509","","","1.54187","CuKα","","","0.0576","","","","0.2049","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103074","11.81","0.002","14.161","0.003","28.699","0.005","90","","90","","90","","4799.7","1.5","123","2","123","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56.33 H52.65 Cl0.65 F4 N O Rh Si -","- C56.325 H52.65 Cl0.65 F4 N O Rh Si -","- C225.3 H210.6 Cl2.6 F16 N4 O4 Rh4 Si4 -","4","1","","Takahiro Nishimura; Hiroki Makino; Makoto Nagaosa; Tamio Hayashi","Rhodium-Catalyzed Enantioselective 1,6-Addition of Arylboronic Acids to Enynamides: Asymmetric Synthesis of Axially Chiral Allenylsilanes","Journal of the American Chemical Society","2010","132","","12865","12867","10.1021/ja1066509","","","0.71075","MoKα","","0.0463","0.0407","","","0.0895","0.0927","","","","","","1.011","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103075","15.341","0.002","12.998","0.002","23.922","0.004","90","","94.07","0.02","90","","4758.1","1.3","301","2","301","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cl6 Fe2 N4 -","- C16 H20 Cl6 Fe2 N4 -","- C128 H160 Cl48 Fe16 N32 -","8","1","","Toby Wai-Shan Chow; Ella Lai-Ming Wong; Zhen Guo; Yungen Liu; Jie-Sheng Huang; Chi-Ming Che","cis-Dihydroxylation of Alkenes with Oxone Catalyzed by Iron Complexes of a Macrocyclic Tetraaza Ligand and Reaction Mechanism by ESI-MS Spectrometry and DFT Calculations","Journal of the American Chemical Society","2010","132","","13229","13239","10.1021/ja100967g","","","0.71073","MoKα","","0.0379","0.0338","","","0.086","0.0892","","","","","","1.045","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103076","13.806","0.003","9.909","0.002","16.903","0.004","90","","90","","90","","2312.4","0.9","301","2","301","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H23 Cl3 Fe N5 O4 -","- C18 H24 Cl3 Fe N5 O4 -","- C72 H96 Cl12 Fe4 N20 O16 -","4","0.5","","Toby Wai-Shan Chow; Ella Lai-Ming Wong; Zhen Guo; Yungen Liu; Jie-Sheng Huang; Chi-Ming Che","cis-Dihydroxylation of Alkenes with Oxone Catalyzed by Iron Complexes of a Macrocyclic Tetraaza Ligand and Reaction Mechanism by ESI-MS Spectrometry and DFT Calculations","Journal of the American Chemical Society","2010","132","","13229","13239","10.1021/ja100967g","","","0.71073","MoKα","","0.0379","0.0295","","","0.0797","0.0866","","","","","","1.031","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103077","10.332","0.001","15.908","0.001","24.346","0.001","90","","101.907","0.001","90","","3915.4","0.5","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 Cl N2 P2 S2 Sc -","- C42 H38 Cl N2 P2 S2 Sc -","- C168 H152 Cl4 N8 P8 S8 Sc4 -","4","1","","Marie Fustier; Xavier F. Le Goff; Pascal Le Floch; Nicolas Mézailles","Nucleophilic Scandium Carbene Complexes","Journal of the American Chemical Society","2010","132","","13108","13110","10.1021/ja103220s","","","0.71069","MoKα","","0.096","0.049","","","0.1108","0.1264","","","","","","1.036","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103078","11.473","0.001","11.567","0.001","17.119","0.001","75.186","0.001","75.057","0.001","79.232","0.001","2104.2","0.3","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C70 H80 Cl4 O7 P4 S4 Sc4 -","- C66 H72 Cl4 O6 P4 S4 Sc4 -","- C66 H72 Cl4 O6 P4 S4 Sc4 -","1","0.5","","Marie Fustier; Xavier F. Le Goff; Pascal Le Floch; Nicolas Mézailles","Nucleophilic Scandium Carbene Complexes","Journal of the American Chemical Society","2010","132","","13108","13110","10.1021/ja103220s","","","0.71069","MoKα","","0.0714","0.0494","","","0.1473","0.1572","","","","","","0.989","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103079","18.17","0.004","9.5255","0.0019","20.973","0.004","90","","107.4","0.03","90","","3463.9","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H62 Fe Ni P2 -","- C34 H62 Fe Ni P2 -","- C136 H248 Fe4 Ni4 P8 -","4","1","","Inmaculada Matas; George R. Whittell; Benjamin M. Partridge; Jason P. Holland; Mairi F. Haddow; Jennifer C. Green; Ian Manners","Synthesis, Electronic Structure, and Reactivity of Strained Nickel-, Palladium-, and Platinum-Bridged [1]Ferrocenophanes","Journal of the American Chemical Society","2010","132","","13279","13289","10.1021/ja103367e","","","0.71073","MoKα","","0.1244","0.0827","","","0.1459","0.1693","","","","","","1.143","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103080","18.29","0.004","9.6288","0.0019","20.917","0.004","90","","107.63","0.03","90","","3510.7","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H62 Fe P2 Pd -","- C34 H62 Fe P2 Pd -","- C136 H248 Fe4 P8 Pd4 -","4","1","","Inmaculada Matas; George R. Whittell; Benjamin M. Partridge; Jason P. Holland; Mairi F. Haddow; Jennifer C. Green; Ian Manners","Synthesis, Electronic Structure, and Reactivity of Strained Nickel-, Palladium-, and Platinum-Bridged [1]Ferrocenophanes","Journal of the American Chemical Society","2010","132","","13279","13289","10.1021/ja103367e","","","0.71073","MoKα","","0.0859","0.0599","","","0.1182","0.1328","","","","","","1.144","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103081","18.301","0.004","9.6527","0.0019","20.902","0.004","90","","107.77","0.03","90","","3516.3","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H62 Fe P2 Pt -","- C34 H62 Fe P2 Pt -","- C136 H248 Fe4 P8 Pt4 -","4","1","","Inmaculada Matas; George R. Whittell; Benjamin M. Partridge; Jason P. Holland; Mairi F. Haddow; Jennifer C. Green; Ian Manners","Synthesis, Electronic Structure, and Reactivity of Strained Nickel-, Palladium-, and Platinum-Bridged [1]Ferrocenophanes","Journal of the American Chemical Society","2010","132","","13279","13289","10.1021/ja103367e","","","0.71073","MoKα","","0.0488","0.0382","","","0.0716","0.0772","","","","","","1.08","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103082","10.3014","0.0011","18.0421","0.0019","19.625","0.002","90","","90.787","0.007","90","","3647.1","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H62 Fe O P2 Pd -","- C35 H62 Fe O P2 Pd -","- C140 H248 Fe4 O4 P8 Pd4 -","4","1","","Inmaculada Matas; George R. Whittell; Benjamin M. Partridge; Jason P. Holland; Mairi F. Haddow; Jennifer C. Green; Ian Manners","Synthesis, Electronic Structure, and Reactivity of Strained Nickel-, Palladium-, and Platinum-Bridged [1]Ferrocenophanes","Journal of the American Chemical Society","2010","132","","13279","13289","10.1021/ja103367e","","","0.71073","MoKα","","0.1303","0.0473","","","0.0799","0.102","","","","","","0.962","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103083","13.0565","0.001","17.1744","0.0013","15.4708","0.0013","90","","90.521","0.005","90","","3469","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H62 Ni P2 -","- C34 H62 Ni P2 -","- C136 H248 Ni4 P8 -","4","1","","Inmaculada Matas; George R. Whittell; Benjamin M. Partridge; Jason P. Holland; Mairi F. Haddow; Jennifer C. Green; Ian Manners","Synthesis, Electronic Structure, and Reactivity of Strained Nickel-, Palladium-, and Platinum-Bridged [1]Ferrocenophanes","Journal of the American Chemical Society","2010","132","","13279","13289","10.1021/ja103367e","","","1.54178","CuKα","","0.0491","0.037","","","0.1022","0.1248","","","","","","0.514","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103084","9.9919","0.001","17.1547","0.0017","20.575","0.002","90","","90.144","0.006","90","","3526.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H62 P2 Pd -","- C34 H62 P2 Pd -","- C136 H248 P8 Pd4 -","4","1","","Inmaculada Matas; George R. Whittell; Benjamin M. Partridge; Jason P. Holland; Mairi F. Haddow; Jennifer C. Green; Ian Manners","Synthesis, Electronic Structure, and Reactivity of Strained Nickel-, Palladium-, and Platinum-Bridged [1]Ferrocenophanes","Journal of the American Chemical Society","2010","132","","13279","13289","10.1021/ja103367e","","","0.71073","MoKα","","0.0444","0.0297","","","0.0671","0.0734","","","","","","1.007","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103085","11.0266","0.0009","16.0425","0.0013","20.8119","0.0017","85.394","0.004","83.297","0.004","75.518","0.004","3535.2","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H62 P2 Pt -","- C34 H62 P2 Pt -","- C136 H248 P8 Pt4 -","4","2","","Inmaculada Matas; George R. Whittell; Benjamin M. Partridge; Jason P. Holland; Mairi F. Haddow; Jennifer C. Green; Ian Manners","Synthesis, Electronic Structure, and Reactivity of Strained Nickel-, Palladium-, and Platinum-Bridged [1]Ferrocenophanes","Journal of the American Chemical Society","2010","132","","13279","13289","10.1021/ja103367e","","","0.71073","MoKα","","0.0382","0.0266","","","0.0516","0.055","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103086","15.242","0.002","6.8033","0.0012","15.381","0.002","90","","114.544","0.003","90","","1450.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N4 -","- C19 H14 N4 -","- C76 H56 N16 -","4","1","","Youjun Yang; Stephanie K. Seidlits; Michelle M. Adams; Vincent M. Lynch; Christine E. Schmidt; Eric V. Anslyn; Jason B. Shear","A Highly Selective Low-Background Fluorescent Imaging Agent for Nitric Oxide","Journal of the American Chemical Society","2010","132","","13114","13116","10.1021/ja1040013","","","0.71073","MoKα","","0.0945","0.0515","","","0.1085","0.1275","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103087","18.4363","0.0009","19.1408","0.001","31.0479","0.0016","89.481","0.001","79.964","0.001","62.354","0.001","9524.5","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","U18Py2PCP6","","","- C6 K11 O127 P16 U18.5 -","- C6 K11 O127 P16 U18.5 -","- C12 K22 O254 P32 U37 -","2","1","","Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns","Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters","Journal of the American Chemical Society","2010","132","","13395","13402","10.1021/ja1048219","","","0.71073","MoKα","","0.0512","0.0371","","","0.0909","0.094","","","","","","0.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103088","29.819","0.002","27.014","0.002","26.777","0.002","90","","90","","90","","21570","3","193","2","193","2","","","","","","","","4","C m c e","-C 2ac 2","64","U20Py6a","","","- K10 O134 P12 U20 -","- K10 O134 P12 U20 -","- K40 O536 P48 U80 -","4","0.25","","Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns","Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters","Journal of the American Chemical Society","2010","132","","13395","13402","10.1021/ja1048219","","","0.71073","MoKα","","0.053","0.0469","","","0.1499","0.1527","","","","","","1.173","","","","has coordinates","270822","2021-11-23","08:35:27",""
"4103089","35.968","0.005","18.094","0.002","31.033","0.005","90","","115.851","0.004","90","","18175","4","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","U20Py6b","","","- K14 O132 P12 U20 -","- K14 O132 P12 U20 -","- K56 O528 P48 U80 -","4","0.5","","Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns","Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters","Journal of the American Chemical Society","2010","132","","13395","13402","10.1021/ja1048219","","","0.71073","MoKα","","0.0959","0.0608","","","0.1473","0.16","","","","","","0.945","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103090","30.641","0.002","19.1329","0.0015","21.936","0.003","90","","129.563","0.001","90","","9914.1","1.7","273","2","273","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","U20Py10","","","- K29 O158 P20 U20 -","- K29 O158 P20 U20 -","- K58 O316 P40 U40 -","2","0.25","","Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns","Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters","Journal of the American Chemical Society","2010","132","","13395","13402","10.1021/ja1048219","","","0.71073","MoKα","","0.0445","0.0346","","","0.0957","0.0986","","","","","","1.076","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103091","25.237","0.0008","25.237","0.0008","21.9026","0.0007","90","","90","","90","","13949.9","0.8","100","2","100","2","","","","","","","","4","I 4/m","-I 4","87","U24PCP12","","","- C12 O168 P24 U24 -","- C12 O168 P24 U24 -","- C24 O336 P48 U48 -","2","0.125","","Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns","Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters","Journal of the American Chemical Society","2010","132","","13395","13402","10.1021/ja1048219","","","0.71073","MoKα","","0.0397","0.0302","","","0.0721","0.0736","","","","","","0.935","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103092","22.746","0.002","22.746","0.002","30.426","0.004","90","","90","","90","","15742","3","273","2","273","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","U24Py12","","","- Na8 O180 P24 U24 -","- Na8 O180 P24 U24 -","- Na16 O360 P48 U48 -","2","0.125","","Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns","Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters","Journal of the American Chemical Society","2010","132","","13395","13402","10.1021/ja1048219","","","0.71073","MoKα","","0.0598","0.0493","","","0.1329","0.1369","","","","","","1.015","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103093","32.035","0.002","18.9376","0.0013","37.919","0.003","90","","106.728","0.002","90","","22031","3","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","U26Py6","","","- K9 O162 P12 U26 -","- K9 O162 P12 U26 -","- K36 O648 P48 U104 -","4","0.5","","Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns","Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters","Journal of the American Chemical Society","2010","132","","13395","13402","10.1021/ja1048219","","","0.71073","MoKα","","0.0606","0.0452","","","0.1135","0.1176","","","","","","0.998","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103094","25.225","0.002","19.7976","0.0019","27.139","0.003","90","","95.21","0.001","90","","13497","2","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","U26Py11","","","- K20 O185 P22 U26 -","- K20 O185 P22 U26 -","- K40 O370 P44 U52 -","2","0.5","","Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns","Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters","Journal of the American Chemical Society","2010","132","","13395","13402","10.1021/ja1048219","","","0.71073","MoKα","","0.0564","0.0481","","","0.1269","0.1299","","","","","","1.055","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103095","28.456","0.003","28.456","0.003","28.08","0.007","90","","90","","90","","22738","7","273","2","273","2","","","","","","","","4","I 4 m m","I 4 -2","107","U32Py16","","","- Na4 O240 P32 U32 -","- Na4 O240 P32 U32 -","- Na8 O480 P64 U64 -","2","0.125","","Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns","Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters","Journal of the American Chemical Society","2010","132","","13395","13402","10.1021/ja1048219","","","0.71073","MoKα","","0.0313","0.0279","","","0.0686","0.0691","","","","","","0.968","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103096","12.73","0.002","28.884","0.005","18.417","0.003","90","","94.92","0.002","90","","6746.9","1.9","15","2","15","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Dipp*GeAgGeDipp*][SbF6].2chlorobenzene","","","- C72 H84 Ag Cl2 F6 Ge2 Sb -","- C72 H84 Ag Cl2 F6 Ge2 Sb -","- C288 H336 Ag4 Cl8 F24 Ge8 Sb4 -","4","0.5","","Xinping Wang; Yang Peng; Marilyn M. Olmstead; Håkon Hope; Philip P. Power","A Ditetrylyne as a π-Electron Donor: Synthesis and Characterization of [AgAr'GeGeAr']+SbF6- and [Ag2Ar'GeGe(F)Ar']+SbF6- (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2)","Journal of the American Chemical Society","2010","132","","13150","13151","10.1021/ja1051236","","","0.71073","MoKα","","0.0933","0.0746","","","0.166","0.1767","","","","","","1.22","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103097","21.2232","0.0006","12.9714","0.0004","24.1179","0.0009","90","","108.767","0.003","90","","6286.5","0.4","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[D*GeAgGeFAgD*][SbF6].chlorobenzene","","","- C66 H79 Ag2 Cl F7 Ge2 Sb -","- C66 H79 Ag2 Cl F7 Ge2 Sb -","- C264 H316 Ag8 Cl4 F28 Ge8 Sb4 -","4","0.5","","Xinping Wang; Yang Peng; Marilyn M. Olmstead; Håkon Hope; Philip P. Power","A Ditetrylyne as a π-Electron Donor: Synthesis and Characterization of [AgAr'GeGeAr']+SbF6- and [Ag2Ar'GeGe(F)Ar']+SbF6- (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2)","Journal of the American Chemical Society","2010","132","","13150","13151","10.1021/ja1051236","","","0.71073","MoKα","","0.046","0.0424","","","0.0836","0.0849","","","","","","1.22","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103098","8.5681","0.0004","17.6354","0.0008","8.9391","0.0004","90","","98.93","0.001","90","","1334.34","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Thiourea - 1,2-bis(4-pyridyl)ethylene (1:1 co-crystal)","","- C13 H14 N4 S -","- C13 H14 N4 S -","- C52 H56 N16 S4 -","4","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.0421","0.0369","","","0.1008","0.107","","","","","","1.046","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103099","8.5377","0.0007","37.726","0.003","9.988","0.0008","90","","113.591","0.001","90","","2948.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Thiourea - 1-(4-pyridyl)-2-(4-cyanophenyl)ethylene (2:2 co-crystal)","","- C30 H28 N8 S2 -","- C30 H28 N8 S2 -","- C120 H112 N32 S8 -","4","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.0641","0.0467","","","0.1215","0.1374","","","","","","1.065","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103100","8.4015","0.0005","17.9557","0.001","18.3422","0.001","90","","90.894","0.001","90","","2766.7","0.3","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","Thiourea - 1-(4-pyridyl)-2-(phenyl)ethylene (4:4 co-crystal)","","- C56 H60 N12 S4 -","- C56 H60 N12 S4 -","- C112 H120 N24 S8 -","2","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.078","0.0438","","","0.0934","0.1089","","","","","","1.015","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103101","8.6368","0.0004","9.0716","0.0004","18.1959","0.0009","90","","101.156","0.001","90","","1398.7","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Thiourea - 1-(4-pyridyl)-2-(4-fluorophenyl)ethylene (1:1 co-crystal)","","- C14 H14 F N3 S -","- C14 H14 F N3 S -","- C56 H56 F4 N12 S4 -","4","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.0736","0.045","","","0.1146","0.1314","","","","","","1.025","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103102","8.5011","0.0005","18.8095","0.0011","18.3865","0.001","90","","98.242","0.001","90","","2909.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Thiourea - 1-(4-pyridyl)-2-(4-chlorophenyl)ethylene (1:1 co-crystal)","","- C14 H14 Cl N3 S -","- C14 H14 Cl N3 S -","- C112 H112 Cl8 N24 S8 -","8","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.0702","0.049","","","0.1164","0.131","","","","","","1.061","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103103","8.5033","0.0004","18.8687","0.0008","18.5703","0.0008","90","","97.819","0.001","90","","2951.8","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Thiourea - 1-(4-pyridyl)-2-(4-bromophenyl)ethylene (1:1 co-crystal)","","- C14 H14 Br N3 S -","- C14 H14 Br N3 S -","- C112 H112 Br8 N24 S8 -","8","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.0567","0.0372","","","0.0881","0.0977","","","","","","1.084","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103104","30.3481","0.0014","8.5791","0.0004","11.2687","0.0005","90","","95.238","0.001","90","","2921.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Thiourea - 1-(4-pyridyl)-2-(4-tolyl)ethylene (2:2 co-crystal)","","- C30 H34 N6 S2 -","- C30 H34 N6 S2 -","- C120 H136 N24 S8 -","4","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.0654","0.0457","","","0.114","0.1293","","","","","","1.022","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103105","8.4917","0.0009","11.8893","0.0013","15.9374","0.0017","83.888","0.002","82.103","0.002","72.755","0.002","1518.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Thiourea - 1-(4-pyridyl)-2-(4-methoxyphenyl)ethylene (2:2 co-crystal)","","- C30 H34 N6 O2 S2 -","- C30 H34 N6 O2 S2 -","- C60 H68 N12 O4 S4 -","2","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.0662","0.0447","","","0.1132","0.13","","","","","","1.017","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103106","8.1013","0.0004","19.9354","0.001","9.799","0.0005","90","","90","","90","","1582.56","0.14","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Thiourea - 1-(4-pyridyl)-2-(2,4-dichlorophenyl)ethylene (1:1 co-crystal)","","- C14 H13 Cl2 N3 S -","- C14 H13 Cl2 N3 S -","- C56 H52 Cl8 N12 S4 -","4","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.043","0.0306","","","0.0686","0.0744","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103107","30.6036","0.0019","8.7108","0.0005","11.9036","0.0007","90","","98.025","0.001","90","","3142.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Thiourea - 1-(4-pyridyl)-2-(4-ethylphenyl)ethylene (2:2 co-crystal)","","- C32 H38 N6 S2 -","- C32 H38 N6 S2 -","- C128 H152 N24 S8 -","4","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.0795","0.059","","","0.151","0.1739","","","","","","1.04","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103108","8.5713","0.0009","13.2462","0.0014","15.878","0.0017","70.433","0.002","82.671","0.002","71.703","0.002","1612.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Thiourea - 1-(4-pyridyl)-2-(2-naphthyl)ethylene (2:2 co-crystal)","","- C36 H34 N6 S2 -","- C36 H34 N6 S2 -","- C72 H68 N12 S4 -","2","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.06","0.0459","","","0.1145","0.1311","","","","","","1.024","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103109","8.4795","0.0003","9.5571","0.0003","10.604","0.0003","91.245","0.001","98.067","0.001","95.441","0.001","846.47","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Thiourea - trans-1-(2-Pyridyl)-2-(4-pyridyl)ethylene (2:1 co-crystal)","","- C14 H18 N6 S2 -","- C14 H18 N6 S2 -","- C28 H36 N12 S4 -","2","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.0437","0.0407","","","0.1028","0.1072","","","","","","1.082","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103110","8.5533","0.0006","9.606","0.0006","11.5275","0.0008","68.215","0.001","75.05","0.001","83.772","0.001","849.64","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","thiourea and 1-(2-pyridyl)-2-(3-pyridyl)ethylene (2:1 Co-crystal)","","- C14 H18 N6 S2 -","- C14 H18 N6 S2 -","- C28 H36 N12 S4 -","2","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.051","0.0403","","","0.1003","0.1083","","","","","","1.017","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103111","8.1625","0.0007","22.6","0.002","9.7018","0.0009","90","","107.557","0.001","90","","1706.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Thiourea - 1,2-bis(2-pyridyl)ethylene (2:1 co-crystal)","","- C14 H18 N6 S2 -","- C14 H18 N6 S2 -","- C56 H72 N24 S8 -","4","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.0481","0.0436","","","0.1052","0.1082","","","","","","1.147","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103112","10.3592","0.0002","10.4724","0.0002","11.3705","0.0001","102.787","0.001","93.846","0.001","90.24","","1200.01","0.03","84","2","84","2","","","","","","","","8","P 1","P 1","1","","","","- C49 H51 F6 Ir N O P3 S3 -","- C49 H51 F6 Ir N O P3 S3 -","- C49 H51 F6 Ir N O P3 S3 -","1","1","","George R. Clark; Lauren A. Ferguson; Amy E. McIntosh; Tilo Söhnel; L. James Wright","Functionalization of Metallabenzenes through Nucleophilic Aromatic Substitution of Hydrogen","Journal of the American Chemical Society","2010","132","","13443","13452","10.1021/ja105239t","","","0.71073","MoKα","","0.064","0.0623","","","0.152","0.1542","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103113","11.4866","0.0008","14.6889","0.001","27.657","0.002","96.337","0.006","90.484","0.006","102.217","0.005","4530.5","0.6","88","2","88","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H47 F6 Ir N P3 S3 -","- C47 H47 F6 Ir N P3 S3 -","- C188 H188 F24 Ir4 N4 P12 S12 -","4","2","","George R. Clark; Lauren A. Ferguson; Amy E. McIntosh; Tilo Söhnel; L. James Wright","Functionalization of Metallabenzenes through Nucleophilic Aromatic Substitution of Hydrogen","Journal of the American Chemical Society","2010","132","","13443","13452","10.1021/ja105239t","","","0.71073","MoKα","","0.2261","0.0907","","","0.1925","0.2505","","","","","","1.012","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103114","17.8209","0.001","10.1255","0.0006","23.1175","0.0012","90","","96.557","0.004","90","","4144.2","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H44 Ir N P2 S3 -","- C47 H44 Ir N P2 S3 -","- C188 H176 Ir4 N4 P8 S12 -","4","1","","George R. Clark; Lauren A. Ferguson; Amy E. McIntosh; Tilo Söhnel; L. James Wright","Functionalization of Metallabenzenes through Nucleophilic Aromatic Substitution of Hydrogen","Journal of the American Chemical Society","2010","132","","13443","13452","10.1021/ja105239t","","","0.71073","MoKα","","0.2008","0.0791","","","0.1388","0.1816","","","","","","0.965","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103115","11.86","0.0003","21.6582","0.0005","19.9376","0.0005","90","","101.649","0.001","90","","5015.8","0.2","89","2","89","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H53 Cl2 F6 Ir N P3 S3 -","- C50 H53 Cl2 F6 Ir N P3 S3 -","- C200 H212 Cl8 F24 Ir4 N4 P12 S12 -","4","1","","George R. Clark; Lauren A. Ferguson; Amy E. McIntosh; Tilo Söhnel; L. James Wright","Functionalization of Metallabenzenes through Nucleophilic Aromatic Substitution of Hydrogen","Journal of the American Chemical Society","2010","132","","13443","13452","10.1021/ja105239t","","","0.71073","MoKα","","0.0492","0.0303","","","0.0615","0.0688","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103116","9.899","0.003","13.034","0.005","15.353","0.007","90","","101.97","0.015","90","","1937.8","1.3","123.1","","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H20 Cl N O2 S -","- C21 H20 Cl N O2 S -","- C84 H80 Cl4 N4 O8 S4 -","4","2","","Ryo Shintani; Momotaro Takeda; Takaoki Tsuji; Tamio Hayashi","Rhodium-Catalyzed Asymmetric Arylation of N-Tosyl Ketimines","Journal of the American Chemical Society","2010","132","","13168","13169","10.1021/ja106114q","","","0.71075","MoKα","","","0.0501","","","","0.061","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103117","18.014","0.004","24.694","0.005","26.113","0.005","90","","90","","90","","11616","4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H37.75 N2 O7 -","- C31 H37.75 N2 O7 -","- C496 H604 N32 O112 -","16","4","","Yoshikazu Sasaki; Daisuke Kato; Dale L. Boger","Asymmetric Total Synthesis of Vindorosine, Vindoline, and Key Vinblastine Analogues","Journal of the American Chemical Society","2010","132","","13533","13544","10.1021/ja106284s","","","0.71073","MoKα","","0.152","0.0784","","","0.1919","0.2458","","","","","","0.992","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103118","8.8278","0.0018","16.708","0.003","30.252","0.006","90","","90","","90","","4462","1.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C192 H240 N16 O40 -","8","2","","Yoshikazu Sasaki; Daisuke Kato; Dale L. Boger","Asymmetric Total Synthesis of Vindorosine, Vindoline, and Key Vinblastine Analogues","Journal of the American Chemical Society","2010","132","","13533","13544","10.1021/ja106284s","","","0.71073","MoKα","","0.0778","0.0614","","","0.1359","0.1439","","","","","","1.117","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103119","10.979","0.002","9.2119","0.0018","11.677","0.002","90","","90.66","0.03","90","","1180.9","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O7 -","- C24 H30 N2 O7 -","- C48 H60 N4 O14 -","2","1","","Yoshikazu Sasaki; Daisuke Kato; Dale L. Boger","Asymmetric Total Synthesis of Vindorosine, Vindoline, and Key Vinblastine Analogues","Journal of the American Chemical Society","2010","132","","13533","13544","10.1021/ja106284s","","","0.71073","MoKα","","0.0892","0.0661","","","0.1245","0.1344","","","","","","1.107","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103120","15.515","0.003","16.884","0.003","17.999","0.004","90","","90","","90","","4714.9","1.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 Cl N2 O5 -","- C24 H31 Cl N2 O5 -","- C192 H248 Cl8 N16 O40 -","8","2","","Yoshikazu Sasaki; Daisuke Kato; Dale L. Boger","Asymmetric Total Synthesis of Vindorosine, Vindoline, and Key Vinblastine Analogues","Journal of the American Chemical Society","2010","132","","13533","13544","10.1021/ja106284s","","","0.71073","MoKα","","0.0698","0.0595","","","0.1313","0.136","","","","","","1.156","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103121","15.716","0.003","16.897","0.003","18.545","0.004","90","","90","","90","","4924.7","1.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 I N2 O5 -","- C24 H31 I N2 O5 -","- C192 H248 I8 N16 O40 -","8","2","","Yoshikazu Sasaki; Daisuke Kato; Dale L. Boger","Asymmetric Total Synthesis of Vindorosine, Vindoline, and Key Vinblastine Analogues","Journal of the American Chemical Society","2010","132","","13533","13544","10.1021/ja106284s","","","0.71073","MoKα","","0.0506","0.0445","","","0.1113","0.116","","","","","","1.064","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103122","7.8185","0.0016","8.3688","0.0017","22.032","0.004","90","","95","0.03","90","","1436.1","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H36 N2 O7 -","- C30 H36 N2 O7 -","- C60 H72 N4 O14 -","2","1","","Yoshikazu Sasaki; Daisuke Kato; Dale L. Boger","Asymmetric Total Synthesis of Vindorosine, Vindoline, and Key Vinblastine Analogues","Journal of the American Chemical Society","2010","132","","13533","13544","10.1021/ja106284s","","","0.71073","MoKα","","0.0979","0.0758","","","0.1988","0.219","","","","","","0.908","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103123","13.2107","0.001","11.2408","0.0009","13.749","0.001","90","","91.133","0.002","90","","2041.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 B F10 N2 -","- C19 H15 B F10 N2 -","- C76 H60 B4 F40 N8 -","4","1","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.0921","0.0425","","","0.0921","0.1135","","","","","","0.997","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103124","11.4966","0.0006","11.8061","0.0006","16.2558","0.0009","90","","101.241","0.003","90","","2164.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 B F10 N2 -","- C21 H19 B F10 N2 -","- C84 H76 B4 F40 N8 -","4","1","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.0639","0.0388","","","0.0841","0.0944","","","","","","1.016","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103125","34.51","0.003","11.4156","0.001","12.7933","0.0011","90","","109.377","0.008","90","","4754.5","0.8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H15.5 B Cl F10 N2 O2 -","- C20.5 H15.5 B Cl F10 N2 O2 -","- C164 H124 B8 Cl8 F80 N16 O16 -","8","1","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.1895","0.0686","","","0.1894","0.2653","","","","","","0.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103126","11.2343","0.0005","16.3811","0.0007","15.2027","0.0007","90","","97.19","0.002","90","","2775.8","0.2","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 B F10 N4 -","- C26 H29 B F10 N4 -","- C104 H116 B4 F40 N16 -","4","1","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.076","0.0396","","","0.0849","0.0989","","","","","","1.011","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103127","16.1775","0.0008","9.8189","0.0005","12.9563","0.0006","90","","95.769","0.001","90","","2047.62","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 B F10 N2 O -","- C20 H15 B F10 N2 O -","- C80 H60 B4 F40 N8 O4 -","4","1","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.0471","0.0358","","","0.0929","0.1005","","","","","","1.026","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103128","10.3891","0.0004","11.689","0.0004","21.6116","0.0007","90","","96.453","0.001","90","","2607.85","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 B F10 N3 -","- C24 H24 B F10 N3 -","- C96 H96 B4 F40 N12 -","4","1","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.0779","0.0453","","","0.1158","0.1359","","","","","","1.029","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103129","9.7338","0.0003","14.8731","0.0004","18.2826","0.0005","90","","93.477","0.002","90","","2641.93","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 B F10 N2 O -","- C28 H25 B F10 N2 O -","- C112 H100 B4 F40 N8 O4 -","4","1","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.0649","0.0405","","","0.1043","0.1176","","","","","","1.026","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103130","8.2916","0.0012","10.6546","0.0015","12.5718","0.0018","100.759","0.007","98.769","0.007","101.432","0.007","1048.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 B F10 N3 -","- C21 H18 B F10 N3 -","- C42 H36 B2 F20 N6 -","2","1","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.0701","0.0429","","","0.1141","0.1282","","","","","","1.027","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103131","8.4288","0.0003","9.3068","0.0004","17.6394","0.0008","76.475","0.002","85.958","0.002","89.111","0.002","1342","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 B F10 N2 -","- C27 H21 B F10 N2 -","- C54 H42 B2 F20 N4 -","2","1","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.1082","0.0531","","","0.1387","0.169","","","","","","1.014","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103132","14.6255","0.0012","16.4744","0.0016","20.2803","0.0018","90","","90","","90","","4886.5","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H19 B F10 N2 -","- C25 H19 B F10 N2 -","- C200 H152 B8 F80 N16 -","8","1","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.0614","0.0374","","","0.0761","0.0875","","","","","","0.966","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103133","14.3554","0.0003","15.9382","0.0003","20.1115","0.0004","89.598","0.001","74.192","0.001","64.346","0.001","3958.26","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 B F10 N2 -","- C19 H15 B F10 N2 -","- C152 H120 B8 F80 N16 -","8","4","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.0947","0.0517","","","0.1192","0.1406","","","","","","1.025","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103134","9.4012","0.0005","10.2413","0.0004","17.7652","0.0008","90","","90","","90","","1710.44","0.14","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 B N O3 -","- C19 H26 B N O3 -","- C76 H104 B4 N4 O12 -","4","1","","Toshimichi Ohmura; Tomotsugu Awano; Michinori Suginome","Stereospecific Suzuki-Miyaura Coupling of Chiral α-(Acylamino)benzylboronic Esters with Inversion of Configuration","Journal of the American Chemical Society","2010","132","","13191","13193","10.1021/ja106632j","","","0.71075","MoKα","","0.0687","0.0402","","","0.0747","0.0919","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103135","5.6619","0.0003","10.3717","0.0006","30.2873","0.0014","90","","90","","90","","1778.58","0.16","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Cl N O2 -","- C22 H20 Cl N O2 -","- C88 H80 Cl4 N4 O8 -","4","1","","Toshimichi Ohmura; Tomotsugu Awano; Michinori Suginome","Stereospecific Suzuki-Miyaura Coupling of Chiral α-(Acylamino)benzylboronic Esters with Inversion of Configuration","Journal of the American Chemical Society","2010","132","","13191","13193","10.1021/ja106632j","","","0.71075","MoKα","","0.0317","0.0292","","","0.0715","0.0732","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103136","8.1081","0.0005","20.472","0.0013","19.2978","0.0013","90","","92.273","0.001","90","","3200.7","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H38 Br N3 O4 -","- C35 H39.5 Br N3 O4 -","- C140 H158 Br4 N12 O16 -","4","2","","Zhiwei Zuo; Weiqing Xie; Dawei Ma","Total Synthesis and Absolute Stereochemical Assignment of (-)-Communesin F","Journal of the American Chemical Society","2010","132","","13226","13228","10.1021/ja106739g","","","0.71073","MoKα","","0.1061","0.0535","","","0.1023","0.1131","","","","","","0.742","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103137","9.9282","0.0004","9.1895","0.0003","14.1922","0.0005","90","","91.579","0.002","90","","1294.34","0.08","193","2","193","2","","","","","","","chemical synthesis","4","P 1 2/c 1","-P 2yc","13","","Bis[2-(N,N-dimethylaminomethyl)phenyl-C,N]pyridineiron(II) Benzene Solvate","","- C29 H35 Fe N3 -","- C29 H35 Fe N3 -","- C58 H70 Fe2 N6 -","2","0.5","","Wu, Jessica Y.; Stanzl, Benjamin N.; Ritter, Tobias","A Strategy for the Synthesis of Well-Defined Iron Catalysts and Application to Regioselective Diene Hydrosilylation","Journal of the American Chemical Society","2010","132","38","13214","13216","10.1021/ja106853y","","","0.71073","MoKα","","0.0529","0.032","","","0.0589","0.0656","","","","","","1.04","","","","has coordinates,has disorder","276389","2022-06-29","09:14:29",""
"4103138","11.816","0.002","17.074","0.003","19.126","0.003","102.702","0.003","100.082","0.003","99.736","0.003","3618.4","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Bis((2,6-diisopropylphenyl)iminopyridyl) pyridine iron(II)","","","- C41 H49 Fe N5 -","- C41 H49 Fe N5 -","- C164 H196 Fe4 N20 -","4","2","","Wu, Jessica Y.; Stanzl, Benjamin N.; Ritter, Tobias","A Strategy for the Synthesis of Well-Defined Iron Catalysts and Application to Regioselective Diene Hydrosilylation","Journal of the American Chemical Society","2010","132","38","13214","13216","10.1021/ja106853y","","","0.71073","MoKα","","0.1065","0.0561","","","0.1221","0.1462","","","","","","0.975","","","","has coordinates","219217","2020-10-21","18:00:00",""
"4103139","37.4619","0.0019","37.4619","0.0019","20.9301","0.0015","90","","90","","120","","25438","3","93.1","","93.1","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C390 H336 Br6 I12 N18 O6 -","- C390.36 H324.36 Br6.12 I12 N18 O6 -","- C1171.08 H973.08 Br18.36 I36 N54 O18 -","3","0.166667","","Shuichi Hiraoka; Takashi Nakamura; Motoo Shiro; Mitsuhiko Shionoya","In-Water Truly Monodisperse Aggregation of Gear-Shaped Amphiphiles Based on Hydrophobic Surface Engineering","Journal of the American Chemical Society","2010","132","","13223","13225","10.1021/ja1069135","","","1.54187","CuKα","","","0.1452","","","","0.4109","","","","","","1.421","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103140","7.6944","0.0019","8.914","0.002","9.926","0.003","96.945","0.004","102.309","0.004","91.532","0.004","659.3","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 N2 O2 -","- C32 H32 N2 O2 -","- C32 H32 N2 O2 -","1","0.5","","Seong-Jun Yoon; Jong Won Chung; Johannes Gierschner; Kil Suk Kim; Moon-Gun Choi; Dongho Kim; Soo Young Park","Multistimuli Two-Color Luminescence Switching via Different Slip-Stacking of Highly Fluorescent Molecular Sheets","Journal of the American Chemical Society","2010","132","","13675","13683","10.1021/ja1044665","","","0.71073","MoKα","","0.0721","0.0618","","","0.1809","0.1938","","","","","","1.052","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103141","12.863","0.01","19.259","0.015","3.596","0.003","90","","90","","90","","890.8","1.2","120","2","120","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl H10 O9 Yb3 -","- O7 Yb3 -","- O28 Yb12 -","4","0.25","","Helen V. Goulding; Sarah E. Hulse; William Clegg; Ross W. Harrington; Helen Y. Playford; Richard I. Walton; Andrew M. Fogg","Yb3O(OH)6Cl.2H2O: An Anion-Exchangeable Hydroxide with a Cationic Inorganic Framework Structure","Journal of the American Chemical Society","2010","132","","13618","13620","10.1021/ja104636x","","","0.6889","synchrotron","","0.0749","0.0582","","","0.1418","0.1485","","","","","","0.986","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103142","19.3079","0.0012","16.9887","0.0011","24.5185","0.0017","90","","104.227","0.005","90","","7795.8","0.9","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H55 B F4 N5 O P2 Rh -","- C33 H55 B F4 N5 O P2 Rh -","- C264 H440 B8 F32 N40 O8 P16 Rh8 -","8","2","","Lisa D. Julian; John F. Hartwig","Intramolecular Hydroamination of Unbiased and Functionalized Primary Aminoalkenes Catalyzed by a Rhodium Aminophosphine Complex","Journal of the American Chemical Society","2010","132","","13813","13822","10.1021/ja1052126","","","0.71073","MoKα","","0.2036","0.0762","","","0.1877","0.2532","","","","","","0.989","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103143","17.6713","0.0007","23.1701","0.0009","28.4113","0.0011","90","","90","","90","","11632.9","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 F12 N3 O2 S -","- C26 H23 F12 N3 O2 S -","- C416 H368 F192 N48 O32 S16 -","16","4","","Eric G. Klauber; Chandra Kanta De; Tejas K. Shah; Daniel Seidel","Merging Nucleophilic and Hydrogen Bonding Catalysis: An Anion Binding Approach to the Kinetic Resolution of Propargylic Amines","Journal of the American Chemical Society","2010","132","","13624","13626","10.1021/ja105337h","","","0.71073","MoKα","","0.1346","0.0778","","","0.1667","0.1877","","","","","","1.024","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103144","4.9747","0.0003","9.0028","0.0006","16.3273","0.0011","90","","94.265","0.001","90","","729.21","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Cl N O -","- C17 H14 Cl N O -","- C34 H28 Cl2 N2 O2 -","2","1","","Eric G. Klauber; Chandra Kanta De; Tejas K. Shah; Daniel Seidel","Merging Nucleophilic and Hydrogen Bonding Catalysis: An Anion Binding Approach to the Kinetic Resolution of Propargylic Amines","Journal of the American Chemical Society","2010","132","","13624","13626","10.1021/ja105337h","","","0.71073","MoKα","","0.044","0.0407","","","0.0909","0.0927","","","","","","1.007","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103145","13.7797","0.0006","9.5135","0.0005","16.2298","0.0006","90","","117.249","0.003","90","","1891.5","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N3 Ni -","- C21 H23 N3 Ni -","- C84 H92 N12 Ni4 -","4","1","","Anna Magdalena Oertel; Vincent Ritleng; Michael J. Chetcuti; Luis F. Veiros","C-H Activation of Acetonitrile at Nickel: Ligand Flip and Conversion of N-Bound Acetonitrile into a C-Bound Cyanomethyl Ligand","Journal of the American Chemical Society","2010","132","","13588","13589","10.1021/ja105368p","","","0.71073","MoKα","","0.0446","0.034","","","0.0973","0.1093","","","","","","1.176","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103146","14.0902","0.0004","11.4279","0.0005","16.0073","0.0006","90","","110.029","0.002","90","","2421.63","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N3 Ni -","- C28 H31 N3 Ni -","- C112 H124 N12 Ni4 -","4","1","","Anna Magdalena Oertel; Vincent Ritleng; Michael J. Chetcuti; Luis F. Veiros","C-H Activation of Acetonitrile at Nickel: Ligand Flip and Conversion of N-Bound Acetonitrile into a C-Bound Cyanomethyl Ligand","Journal of the American Chemical Society","2010","132","","13588","13589","10.1021/ja105368p","","","0.71073","MoKα","","0.068","0.0417","","","0.0834","0.094","","","","","","1.014","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103147","13.8731","0.0011","20.8602","0.0017","21.8492","0.0018","90","","90","","90","","6323.1","0.9","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C81 H66 Br Fe N2 O6 -","- C81 H62 Br Fe N2 O6 -","- C324 H248 Br4 Fe4 N8 O24 -","4","1","","Hiromichi Egami; Kenji Matsumoto; Takuya Oguma; Takashi Kunisu; Tsutomu Katsuki","Enantioenriched Synthesis of C1-Symmetric BINOLs: Iron-Catalyzed Cross-Coupling of 2-Naphthols and Some Mechanistic Insight","Journal of the American Chemical Society","2010","132","","13633","13635","10.1021/ja105442m","","","0.71073","MoKα","","0.0607","0.0427","","","0.0947","0.1022","","","","","","0.998","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103148","15.1812","0.0018","15.1812","0.0018","52.476","0.006","90","","90","","90","","12094","2","100","","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C152 H142 Fe2 N4 O10 -","- C152 H100 Fe2 N4 O10 -","- C608 H400 Fe8 N16 O40 -","4","0.5","","Hiromichi Egami; Kenji Matsumoto; Takuya Oguma; Takashi Kunisu; Tsutomu Katsuki","Enantioenriched Synthesis of C1-Symmetric BINOLs: Iron-Catalyzed Cross-Coupling of 2-Naphthols and Some Mechanistic Insight","Journal of the American Chemical Society","2010","132","","13633","13635","10.1021/ja105442m","","","0.71073","MoKα","","0.0817","0.0688","","","0.1985","0.2076","","","","","","1.106","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103149","10.4897","0.0004","12.1851","0.0004","19.8709","0.0011","100.796","0.002","99.262","0.002","93.058","0.001","2453.23","0.19","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H46 Au2 N2 O7 P4 -","- C52 H46 Au2 N2 O7 P4 -","- C104 H92 Au4 N4 O14 P8 -","2","1","","Andrea Deák; Tünde Tunyogi; Zoltán Károly; Szilvia Klébert; Gábor Pálinkás","Guest Escape and Uptake in Nonporous Crystals of a Gold(I) Macrocycle","Journal of the American Chemical Society","2010","132","","13627","13629","10.1021/ja105458e","","","0.7107","MoKα","","0.084","0.0627","","","0.1798","0.2188","","","","","","1.081","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103150","10.2469","0.0016","12.2663","0.0019","19.899","0.003","100.672","0.007","99.456","0.007","91.69","0.007","2419.8","0.7","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C52.81 H47.23 Au2 N2 O6.81 P4 -","- C52.808 H47.232 Au2 N2 O6.808 P4 -","- C105.616 H94.464 Au4 N4 O13.616 P8 -","2","1","","Andrea Deák; Tünde Tunyogi; Zoltán Károly; Szilvia Klébert; Gábor Pálinkás","Guest Escape and Uptake in Nonporous Crystals of a Gold(I) Macrocycle","Journal of the American Chemical Society","2010","132","","13627","13629","10.1021/ja105458e","","","0.7107","MoKα","","0.0493","0.0439","","","0.098","0.1","","","","","","1.112","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103151","10.3075","0.0014","12.0786","0.0016","19.744","0.003","102.098","0.003","98.414","0.003","93.488","0.004","2367","0.6","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H44 Au2 N2 O6 P4 -","- C52 H44 Au2 N2 O6 P4 -","- C104 H88 Au4 N4 O12 P8 -","2","1","","Andrea Deák; Tünde Tunyogi; Zoltán Károly; Szilvia Klébert; Gábor Pálinkás","Guest Escape and Uptake in Nonporous Crystals of a Gold(I) Macrocycle","Journal of the American Chemical Society","2010","132","","13627","13629","10.1021/ja105458e","","","0.56089","AgKα","","0.042","0.0322","","","0.0672","0.0704","","","","","","1.052","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103152","10.1132","0.0018","12.053","0.002","19.88","0.004","98.638","0.008","101.042","0.007","90.974","0.008","2348.8","0.7","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H44 Au2 N2 O6 P4 -","- C52 H44 Au2 N2 O6 P4 -","- C104 H88 Au4 N4 O12 P8 -","2","1","","Andrea Deák; Tünde Tunyogi; Zoltán Károly; Szilvia Klébert; Gábor Pálinkás","Guest Escape and Uptake in Nonporous Crystals of a Gold(I) Macrocycle","Journal of the American Chemical Society","2010","132","","13627","13629","10.1021/ja105458e","","","0.7107","MoKα","","0.0568","0.0469","","","0.0806","0.0843","","","","","","1.063","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103153","7.2955","0.0002","11.2522","0.0003","9.2269","0.0002","90","","103.73","0.001","90","","735.8","0.03","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","potassium dodecafluoro-closo-dodecaborate(2-) dihydrate","","","- B12 F12 H4 K2 O2 -","- B12 F12 H4 K2 O2 -","- B24 F24 H8 K4 O4 -","2","0.5","","Dmitry V. Peryshkov; Alexey A. Popov; Steven H. Strauss","Latent Porosity in Potassium Dodecafluoro-closo-dodecaborate(2-). Structures and Rapid Room Temperature Interconversions of Crystalline K2B12F12, K2(H2O)2B12F12, and K2(H2O)4B12F12 in the Presence of Water Vapor","Journal of the American Chemical Society","2010","132","","13902","13913","10.1021/ja105522d","","","0.71073","MoKα","","0.0211","0.0198","","","0.0572","0.058","","","","","","1.109","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103154","8.3988","0.0003","8.5982","0.0004","12.7454","0.0005","98.83","0.002","102.056","0.002","104.958","0.002","848.39","0.06","110","2","110","2","","","","","","","","5","P -1","-P 1","2","potassium dodecafluoro-closo-dodecaborate(2-) tetrahydrate","","","- B12 F12 H8 K2 O4 -","- B12 F12 H8 K2 O4 -","- B24 F24 H16 K4 O8 -","2","1","","Dmitry V. Peryshkov; Alexey A. Popov; Steven H. Strauss","Latent Porosity in Potassium Dodecafluoro-closo-dodecaborate(2-). Structures and Rapid Room Temperature Interconversions of Crystalline K2B12F12, K2(H2O)2B12F12, and K2(H2O)4B12F12 in the Presence of Water Vapor","Journal of the American Chemical Society","2010","132","","13902","13913","10.1021/ja105522d","","","0.71073","MoKα","","0.0221","0.0204","","","0.057","0.0582","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103155","4.6663","0.0004","8.7995","0.0007","9.4153","0.0008","90","","90.325","0.005","90","","386.6","0.06","243","2","243","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","F Xe O N O2","","","- F N O3 Xe -","- F N O3 Xe -","- F4 N4 O12 Xe4 -","4","1","","Matthew D. Moran; David S. Brock; Hélène P. A. Mercier; Gary J. Schrobilgen","Xe3OF3+, a Precursor to a Noble-Gas Nitrate; Syntheses and Structural Characterizations of FXeONO2, XeF2.HNO3, and XeF2.N2O4","Journal of the American Chemical Society","2010","132","","13823","13839","10.1021/ja105618w","","","0.71073","MoKα","","0.0559","0.0417","","","0.0771","0.0807","","","","","","1.755","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103156","17.3543","0.0007","5.6539","0.0002","4.7658","0.0002","90","","90","","90","","467.62","0.03","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- F2 H N O3 Xe -","- F2 H N O3 Xe -","- F8 H4 N4 O12 Xe4 -","4","0.5","","Matthew D. Moran; David S. Brock; Hélène P. A. Mercier; Gary J. Schrobilgen","Xe3OF3+, a Precursor to a Noble-Gas Nitrate; Syntheses and Structural Characterizations of FXeONO2, XeF2.HNO3, and XeF2.N2O4","Journal of the American Chemical Society","2010","132","","13823","13839","10.1021/ja105618w","","","0.71073","MoKα","","0.016","0.014","","","0.0311","0.0317","","","","","","1.302","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4103157","4.5822","0.0003","5.0597","0.0003","6.2761","0.0005","79.17","0.007","88.454","0.005","81.083","0.005","141.189","0.017","243","2","243","2","","","","","","","","4","P -1","-P 1","2","Xe F2 N2 O4","","","- F2 N2 O4 Xe -","- F2 N2 O4 Xe -","- F2 N2 O4 Xe -","1","0.5","","Matthew D. Moran; David S. Brock; Hélène P. A. Mercier; Gary J. Schrobilgen","Xe3OF3+, a Precursor to a Noble-Gas Nitrate; Syntheses and Structural Characterizations of FXeONO2, XeF2.HNO3, and XeF2.N2O4","Journal of the American Chemical Society","2010","132","","13823","13839","10.1021/ja105618w","","","0.71073","MoKα","","0.0419","0.0385","","","0.0725","0.0742","","","","","","1.066","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103158","10.4241","0.0005","10.8197","0.0004","14.1094","0.0006","90","","101.722","0.002","90","","1558.15","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H37 Br O6 -","- C36 H37 Br O6 -","- C72 H74 Br2 O12 -","2","1","","Ji Qi; Aaron B. Beeler; Qiang Zhang; John A. Porco, Jr.","Catalytic Enantioselective Alkylative Dearomatization-Annulation: Total Synthesis and Absolute Configuration Assignment of Hyperibone K","Journal of the American Chemical Society","2010","132","","13642","13644","10.1021/ja1057828","","","0.71073","MoKα","","0.0563","0.0376","","","0.0728","0.0798","","","","","","0.938","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103159","10.858","0.002","13.071","0.003","13.421","0.003","98.01","0.03","114.7","0.03","95.4","0.03","1688.9","0.8","393","2","393","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H33 Cu F12 N4 O6 -","- C27.5 H33 Cu F12 N4 O6 -","- C55 H66 Cu2 F24 N8 O12 -","2","1","","Matvey V. Fedin; Sergey L. Veber; Ksenia Yu. Maryunina; Galina V. Romanenko; Elizaveta A. Suturina; Nina P. Gritsan; Renad Z. Sagdeev; Victor I. Ovcharenko; Elena G. Bagryanskaya","Intercluster Exchange Pathways in Polymer-Chain Molecular Magnets Cu(hfac)2LR Unveiled by Electron Paramagnetic Resonance","Journal of the American Chemical Society","2010","132","","13886","13891","10.1021/ja105862w","","","0.71073","MoKα","","0.0437","0.0414","","","0.1123","0.1144","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103160","10.8114","0.0017","13.26","0.002","13.415","0.002","99.515","0.002","95.225","0.002","114.016","0.002","1705.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 Cu F12 N4 O6 -","- C28 H34 Cu F12 N4 O6 -","- C56 H68 Cu2 F24 N8 O12 -","2","1","","Matvey V. Fedin; Sergey L. Veber; Ksenia Yu. Maryunina; Galina V. Romanenko; Elizaveta A. Suturina; Nina P. Gritsan; Renad Z. Sagdeev; Victor I. Ovcharenko; Elena G. Bagryanskaya","Intercluster Exchange Pathways in Polymer-Chain Molecular Magnets Cu(hfac)2LR Unveiled by Electron Paramagnetic Resonance","Journal of the American Chemical Society","2010","132","","13886","13891","10.1021/ja105862w","","","0.71073","MoKα","","0.0412","0.0378","","","0.0987","0.1014","","","","","","1.034","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103161","10.0757","0.0018","13.044","0.002","13.736","0.003","99.469","0.003","103.364","0.002","105.094","0.002","1646.6","0.5","60","2","60","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Matvey V. Fedin; Sergey L. Veber; Ksenia Yu. Maryunina; Galina V. Romanenko; Elizaveta A. Suturina; Nina P. Gritsan; Renad Z. Sagdeev; Victor I. Ovcharenko; Elena G. Bagryanskaya","Intercluster Exchange Pathways in Polymer-Chain Molecular Magnets Cu(hfac)2LR Unveiled by Electron Paramagnetic Resonance","Journal of the American Chemical Society","2010","132","","13886","13891","10.1021/ja105862w","","","0.71073","MoKα","","0.0508","0.0422","","","0.102","0.1061","","","","","","1.057","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103162","29.726","0.003","9.5736","0.0011","24.757","0.003","90","","125.289","0.001","90","","5750.9","1.1","50","2","50","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cu F12 N4 O6 -","- C23 H23 Cu F12 N4 O6 -","- C184 H184 Cu8 F96 N32 O48 -","8","1","","Matvey V. Fedin; Sergey L. Veber; Ksenia Yu. Maryunina; Galina V. Romanenko; Elizaveta A. Suturina; Nina P. Gritsan; Renad Z. Sagdeev; Victor I. Ovcharenko; Elena G. Bagryanskaya","Intercluster Exchange Pathways in Polymer-Chain Molecular Magnets Cu(hfac)2LR Unveiled by Electron Paramagnetic Resonance","Journal of the American Chemical Society","2010","132","","13886","13891","10.1021/ja105862w","","","0.71073","MoKα","","0.0485","0.0407","","","0.0982","0.1012","","","","","","1.241","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103163","7.52136","0.00006","14.49051","0.00013","39.6415","0.0003","90","","90","","90","","4320.46","0.06","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H26 O4 -","- C28 H26 O4 -","- C224 H208 O32 -","8","1","","Jian He; Jason L. Crase; Shriya H. Wadumethrige; Khushabu Thakur; Lin Dai; Shouzhong Zou; Rajendra Rathore; C. Scott Hartley","ortho-Phenylenes: Unusual Conjugated Oligomers with a Surprisingly Long Effective Conjugation Length","Journal of the American Chemical Society","2010","132","","13848","13857","10.1021/ja106050s","","","1.5418","CuKα","","0.0362","0.0341","","","0.0869","0.0886","","","","","","1.025","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103164","9.3709","0.0002","12.4562","0.0002","15.7073","0.0003","77.5803","0.0017","82.0708","0.0017","81.3866","0.0017","1759.7","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H41 N O6 -","- C44 H41 N O6 -","- C88 H82 N2 O12 -","2","1","","Jian He; Jason L. Crase; Shriya H. Wadumethrige; Khushabu Thakur; Lin Dai; Shouzhong Zou; Rajendra Rathore; C. Scott Hartley","ortho-Phenylenes: Unusual Conjugated Oligomers with a Surprisingly Long Effective Conjugation Length","Journal of the American Chemical Society","2010","132","","13848","13857","10.1021/ja106050s","","","1.5418","CuKα","","0.0377","0.0338","","","0.0874","0.0898","","","","","","1.053","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103165","6.5667","0.0006","15.2297","0.0014","18.5936","0.0018","90","","90","","90","","1859.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 O P S -","- C19 H25 O P S -","- C76 H100 O4 P4 S4 -","4","1","","Jonathan J. Gammon; Viktoria H. Gessner; Greg R. Barker; Johan Granander; Adrian C. Whitwood; Carsten Strohmann; Peter O'Brien; Brian Kelly","Synthesis of P-Stereogenic Compounds via Kinetic Deprotonation and Dynamic Thermodynamic Resolution of Phosphine Sulfides: Opposite Sense of Induction Using (-)-Sparteine","Journal of the American Chemical Society","2010","132","","13922","13927","10.1021/ja1060966","","","0.71073","MoKα","","0.0374","0.035","","","0.0918","0.094","","","","","","1.066","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103166","11.5593","0.0008","11.6886","0.0008","33.86","0.002","90","","90","","90","","4574.9","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H40 Li N2 P S -","- C21 H40 Li N2 P S -","- C168 H320 Li8 N16 P8 S8 -","8","2","","Jonathan J. Gammon; Viktoria H. Gessner; Greg R. Barker; Johan Granander; Adrian C. Whitwood; Carsten Strohmann; Peter O'Brien; Brian Kelly","Synthesis of P-Stereogenic Compounds via Kinetic Deprotonation and Dynamic Thermodynamic Resolution of Phosphine Sulfides: Opposite Sense of Induction Using (-)-Sparteine","Journal of the American Chemical Society","2010","132","","13922","13927","10.1021/ja1060966","","","0.71073","MoKα","","0.0533","0.0469","","","0.1118","0.1187","","","","","","1.065","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103167","6.2989","0.0003","10.875","0.0005","20.2407","0.001","90","","93.892","0.001","90","","1383.3","0.11","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(RP,RC)-1-(t-Butylmethylphosphinothioyl)-3,3-dimethylbutan-2-ol","","- C11 H25 O P S -","- C11 H25 O P S -","- C44 H100 O4 P4 S4 -","4","2","","Jonathan J. Gammon; Viktoria H. Gessner; Greg R. Barker; Johan Granander; Adrian C. Whitwood; Carsten Strohmann; Peter O'Brien; Brian Kelly","Synthesis of P-Stereogenic Compounds via Kinetic Deprotonation and Dynamic Thermodynamic Resolution of Phosphine Sulfides: Opposite Sense of Induction Using (-)-Sparteine","Journal of the American Chemical Society","2010","132","","13922","13927","10.1021/ja1060966","","x-ray","0.71073","MoKα","","0.0292","0.0276","","","0.0663","0.067","","","","","","1.03","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103168","10.5593","0.0002","18.815","0.0004","22.6797","0.0005","90","","90","","90","","4505.85","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H65 Cl3 N4 O7 -","- C39 H65 Cl3 N4 O7 -","- C156 H260 Cl12 N16 O28 -","4","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of 12-Helical Secondary Structure in β-Peptides Containing Side Chain Groups","Journal of the American Chemical Society","2010","132","","13879","13885","10.1021/ja1062532","","","0.71073","Mo-Kα","","0.042","0.0348","","","0.0869","0.0944","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103169","9.491","0.003","9.624","0.003","11.899","0.004","94.225","0.005","93.287","0.005","112.31","0.005","998.5","0.6","105","2","105","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H60 N4 O7 -","- C40 H60 N4 O7 -","- C40 H60 N4 O7 -","1","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of 12-Helical Secondary Structure in β-Peptides Containing Side Chain Groups","Journal of the American Chemical Society","2010","132","","13879","13885","10.1021/ja1062532","","","0.71073","Mo-Kα","","0.065","0.0513","","","0.1215","0.1294","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103170","10.446","0.002","19.955","0.004","12.161","0.002","90","","95.02","0.003","90","","2525.2","0.8","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H79 N5 O9 -","- C50 H79 N5 O9 -","- C100 H158 N10 O18 -","2","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of 12-Helical Secondary Structure in β-Peptides Containing Side Chain Groups","Journal of the American Chemical Society","2010","132","","13879","13885","10.1021/ja1062532","","","0.71073","Mo-Kα","","0.0841","0.0623","","","0.1509","0.1627","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103171","10.6925","0.0013","25.843","0.003","30.397","0.004","90","","90","","90","","8399.5","1.8","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C68 H104 N8 O11 -","- C68 H104 N8 O11 -","- C272 H416 N32 O44 -","4","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of 12-Helical Secondary Structure in β-Peptides Containing Side Chain Groups","Journal of the American Chemical Society","2010","132","","13879","13885","10.1021/ja1062532","","","0.71073","Mo-Kα","","0.1079","0.0993","","","0.2633","0.2706","","","","","","1.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103172","9.4582","0.0001","15.6589","0.0003","23.444","0.0004","105.277","0.001","97.885","0.001","94.084","0.001","3296.8","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C62 H94 Br N7 O12 -","- C62 H94 Br N7 O12 -","- C124 H188 Br2 N14 O24 -","2","2","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of 12-Helical Secondary Structure in β-Peptides Containing Side Chain Groups","Journal of the American Chemical Society","2010","132","","13879","13885","10.1021/ja1062532","","","1.54178","CuKα","","0.0704","0.0689","","","0.1916","0.194","","","","","","0.987","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103173","11.3031","0.0014","21.144","0.003","25.31","0.003","90","","90","","90","","6048.9","1.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C64.5 H99 K N4 Ni2 -","- C64.5 H99 K N4 Ni2 -","- C258 H396 K4 N16 Ni8 -","4","1","","Stefan Pfirrmann; Christian Limberg; Christian Herwig; Christina Knispel; Beatrice Braun; Eckhard Bill; Reinhard Stösser","A Reduced β-Diketiminato-Ligated Ni3H4 Unit Catalyzing H/D Exchange","Journal of the American Chemical Society","2010","132","","13684","13691","10.1021/ja106266v","","","0.71073","MoKα","","0.0859","0.0535","","","0.1206","0.1377","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103174","15.9902","0.0008","19.8449","0.0006","12.4857","0.0006","90","","124.252","0.003","90","","3274.9","0.3","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C64 H100 K2 N4 Ni3 -","- C64 H100 K2 N4 Ni3 -","- C128 H200 K4 N8 Ni6 -","2","0.25","","Stefan Pfirrmann; Christian Limberg; Christian Herwig; Christina Knispel; Beatrice Braun; Eckhard Bill; Reinhard Stösser","A Reduced β-Diketiminato-Ligated Ni3H4 Unit Catalyzing H/D Exchange","Journal of the American Chemical Society","2010","132","","13684","13691","10.1021/ja106266v","","","0.71073","MoKα","","0.0557","0.0361","","","0.0706","0.0754","","","","","","0.993","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103175","14.0286","0.0008","21.2222","0.0011","20.5735","0.0012","90","","93.221","0.005","90","","6115.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H96 K N4 Ni3 O -","- C62 H96 K N4 Ni3 O -","- C248 H384 K4 N16 Ni12 O4 -","4","1","","Stefan Pfirrmann; Christian Limberg; Christian Herwig; Christina Knispel; Beatrice Braun; Eckhard Bill; Reinhard Stösser","A Reduced β-Diketiminato-Ligated Ni3H4 Unit Catalyzing H/D Exchange","Journal of the American Chemical Society","2010","132","","13684","13691","10.1021/ja106266v","","","0.71073","MoKα","","0.0364","0.0288","","","0.0647","0.0674","","","","","","1.033","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103176","14.1224","0.0014","21.321","0.002","25.094","0.002","90","","123.442","0.004","90","","6305","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H96 K2 N4 Ni2 O2 -","- C66 H96 K2 N4 Ni2 O2 -","- C264 H384 K8 N16 Ni8 O8 -","4","1","","Stefan Pfirrmann; Christian Limberg; Christian Herwig; Christina Knispel; Beatrice Braun; Eckhard Bill; Reinhard Stösser","A Reduced β-Diketiminato-Ligated Ni3H4 Unit Catalyzing H/D Exchange","Journal of the American Chemical Society","2010","132","","13684","13691","10.1021/ja106266v","","","0.71073","MoKα","","0.1012","0.0597","","","0.102","0.1167","","","","","","1.056","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103177","23.7702","0.0005","12.1352","0.0006","23.323","0.0011","90","","116.306","0.002","90","","6030.9","0.4","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H16 B F15 -","- C34.5 H16 B F15 -","- C276 H128 B8 F120 -","8","1","","Chao Chen; Gerald Kehr; Roland Fröhlich; Gerhard Erker","Carbon-Carbon Bond Activation by 1,1-Carboboration of Internal Alkynes","Journal of the American Chemical Society","2010","132","","13594","13595","10.1021/ja106365j","","","1.54178","CuKα","","0.0533","0.0442","","","0.1128","0.1204","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103178","12.2855","0.0005","12.4303","0.0006","18.0373","0.0008","70.022","0.004","70.262","0.004","69.078","0.002","2343.94","0.19","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H37 B F15 P -","- C53 H37 B F15 P -","- C106 H74 B2 F30 P2 -","2","1","","Chao Chen; Gerald Kehr; Roland Fröhlich; Gerhard Erker","Carbon-Carbon Bond Activation by 1,1-Carboboration of Internal Alkynes","Journal of the American Chemical Society","2010","132","","13594","13595","10.1021/ja106365j","","","1.54178","CuKα","","0.0878","0.0583","","","0.1392","0.1598","","","","","","1.046","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103179","31.2753","0.001","5.7604","0.0002","20.1748","0.0011","90","","103.369","0.004","90","","3536.2","0.3","223","2","223","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 -","- C23 H22 -","- C184 H176 -","8","1","","Chao Chen; Gerald Kehr; Roland Fröhlich; Gerhard Erker","Carbon-Carbon Bond Activation by 1,1-Carboboration of Internal Alkynes","Journal of the American Chemical Society","2010","132","","13594","13595","10.1021/ja106365j","","","1.54178","CuKα","","0.0548","0.0465","","","0.1208","0.1279","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103180","15.6115","0.0007","15.652","0.0006","23.8733","0.0011","86.806","0.001","78.394","0.001","69.151","0.001","5339.2","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H142 O43 Ti14 -","- C66 H142 O43 Ti14 -","- C132 H284 O86 Ti28 -","2","1","","Jason B. Benedict; Renata Freindorf; Elzbieta Trzop; Jeffrey Cogswell; Philip Coppens","Large Polyoxotitanate Clusters: Well-Defined Models for Pure-Phase TiO2Structures and Surfaces","Journal of the American Chemical Society","2010","132","","13669","13671","10.1021/ja106436y","","","0.71073","MoKα","","0.1389","0.0717","","","0.183","0.2326","","","","","","1.004","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103181","12.6425","0.0007","18.9568","0.001","29.532","0.0017","76.349","0.002","82.7","0.002","87.053","0.002","6820.3","0.7","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H178 O61 Ti18 -","- C84 H178 O61 Ti18 -","- C168 H356 O122 Ti36 -","2","1","","Jason B. Benedict; Renata Freindorf; Elzbieta Trzop; Jeffrey Cogswell; Philip Coppens","Large Polyoxotitanate Clusters: Well-Defined Models for Pure-Phase TiO2Structures and Surfaces","Journal of the American Chemical Society","2010","132","","13669","13671","10.1021/ja106436y","","","0.71073","MoKα","","0.0689","0.0398","","","0.0963","0.1127","","","","","","1.028","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103182","29.7286","0.0008","29.7286","0.0008","126.826","0.003","90","","90","","120","","97071","4","90","2","90","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C111 H224 O84 Ti28 -","- C111 H224 O84 Ti28 -","- C1998 H4032 O1512 Ti504 -","18","0.5","","Jason B. Benedict; Renata Freindorf; Elzbieta Trzop; Jeffrey Cogswell; Philip Coppens","Large Polyoxotitanate Clusters: Well-Defined Models for Pure-Phase TiO2Structures and Surfaces","Journal of the American Chemical Society","2010","132","","13669","13671","10.1021/ja106436y","","","0.71073","MoKα","","0.0684","0.0538","","","0.1757","0.1989","","","","","","1.14","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103183","10.28","0.002","10.274","0.002","10.758","0.002","90","","96.23","0.03","90","","1129.5","0.4","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H27 N O6 -","- C25 H27 N O6 -","- C50 H54 N2 O12 -","2","1","","Lian-Zhu Liu; Jin-Chun Han; Guo-Zong Yue; Chuang-Chuang Li; Zhen Yang","Asymmetric Total Synthesis of Caribenol A","Journal of the American Chemical Society","2010","132","","13608","13609","10.1021/ja106585n","","","0.71073","MoKα","","0.0618","0.0537","","","0.1426","0.1486","","","","","","1.08","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103184","13.408","0.003","8.3858","0.0017","15.601","0.003","90","","107.93","0.03","90","","1668.9","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","James P. Lajiness; Dale L. Boger","Synthesis and Characterization of a Cyclobutane Duocarmycin Derivative Incorporating the 1,2,10,11-Tetrahydro-9H-cyclobuta[c]benzo[e]indol-4-one (CbBI) Alkylation Subunit","Journal of the American Chemical Society","2010","132","","13936","13940","10.1021/ja106986f","","","0.71073","MoKα","","0.1011","0.0708","","","0.1746","0.1918","","","","","","1.086","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103185","24.6055","0.0017","33.271","0.002","33.271","0.002","90","","90","","90","","27237","3","253","2","253","2","","","","","","","","4","I m m m","-I 2 2","71","UMCM-151","","","- C42 H22 Cu3 O15 -","- C42 H22 Cu3 O15 -","- C336 H176 Cu24 O120 -","8","0.5","","Jennifer K. Schnobrich; Olivier Lebel; Katie A. Cychosz; Anne Dailly; Antek G. Wong-Foy; Adam J. Matzger","Linker-Directed Vertex Desymmetrization for the Production of Coordination Polymers with High Porosity","Journal of the American Chemical Society","2010","132","","13941","13948","10.1021/ja107423k","","","1.54178","CuKα","","0.1744","0.1327","","","0.3493","0.3785","","","","","","1.14","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103186","26.3043","0.0011","26.3043","0.0011","26.5885","0.0019","90","","90","","120","","15932.3","1.5","293","2","293","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","UMCM-152","","","- C14 H7 Cu O5 -","- C14 H7 Cu O5 -","- C252 H126 Cu18 O90 -","18","1","","Jennifer K. Schnobrich; Olivier Lebel; Katie A. Cychosz; Anne Dailly; Antek G. Wong-Foy; Adam J. Matzger","Linker-Directed Vertex Desymmetrization for the Production of Coordination Polymers with High Porosity","Journal of the American Chemical Society","2010","132","","13941","13948","10.1021/ja107423k","","","1.54187","CuKα","","0.0681","0.0555","","","0.1404","0.1555","","","","","","1.053","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103187","21.7064","0.0007","29.0072","0.0011","43.7","0.003","90","","90","","90","","27515","2","150","2","150","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","UMCM-153","","","- C14 H7 Cu O5 -","- C14 H7 Cu O5 -","- C448 H224 Cu32 O160 -","32","1","","Jennifer K. Schnobrich; Olivier Lebel; Katie A. Cychosz; Anne Dailly; Antek G. Wong-Foy; Adam J. Matzger","Linker-Directed Vertex Desymmetrization for the Production of Coordination Polymers with High Porosity","Journal of the American Chemical Society","2010","132","","13941","13948","10.1021/ja107423k","","","1.54187","CuKα","","0.1064","0.0768","","","0.1949","0.2088","","","","","","0.988","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103188","11.8586","0.0002","30.771","0.0006","17.4516","0.0012","90","","90.983","0.006","90","","6367.2","0.5","95","2","95","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","UMCM-154","","","- C29 H13 O10 Zn2 -","- C29 H13 O10 Zn2 -","- C116 H52 O40 Zn8 -","4","0.5","","Jennifer K. Schnobrich; Olivier Lebel; Katie A. Cychosz; Anne Dailly; Antek G. Wong-Foy; Adam J. Matzger","Linker-Directed Vertex Desymmetrization for the Production of Coordination Polymers with High Porosity","Journal of the American Chemical Society","2010","132","","13941","13948","10.1021/ja107423k","","","1.54187","CuKα","","0.085","0.0724","","","0.2508","0.2802","","","","","","1.169","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103189","19.127","0.013","20.19","0.013","19.788","0.014","90","","93.402","0.023","90","","7628","9","123","2","123","2","","","","","","","","8","P 1 21 1","P 2yb","4","09124","","","- C82 H52 B Cu F24 N2 O P2 -","- C82 H52 B Cu F24 N2 O P2 -","- C328 H208 B4 Cu4 F96 N8 O4 P8 -","4","2","","Conor S. Smith; Charles W. Branham; Brian J. Marquardt; Kent R. Mann","Oxygen Gas Sensing by Luminescence Quenching in Crystals of Cu(xantphos)(phen)+ Complexes","Journal of the American Chemical Society","2010","132","","14079","14085","10.1021/ja103112m","","","0.71073","MoKα","","0.0949","0.0532","","","0.1183","0.1424","","","","","","1.006","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103190","11.086","0.0012","17.201","0.0018","19.803","0.002","76.694","0.002","73.782","0.002","88.21","0.002","3526.4","0.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C81 H52 B Cu F20 N2 O P2 -","- C81 H52 B Cu F20 N2 O P2 -","- C162 H104 B2 Cu2 F40 N4 O2 P4 -","2","1","","Conor S. Smith; Charles W. Branham; Brian J. Marquardt; Kent R. Mann","Oxygen Gas Sensing by Luminescence Quenching in Crystals of Cu(xantphos)(phen)+ Complexes","Journal of the American Chemical Society","2010","132","","14079","14085","10.1021/ja103112m","","","0.71069","MoKα","","0.0903","0.0455","","","0.1051","0.1279","","","","","","1.063","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103191","15.289","0.002","16.539","0.002","17.019","0.002","102.685","0.002","108.556","0.002","97.253","0.002","3889.7","0.8","123","2","123","2","","","","","","","","8","P -1","-P 1","2","08104","","","- C85 H56 B Cu F24 N2 O P2 -","- C85 H56 B Cu F24 N2 O P2 -","- C170 H112 B2 Cu2 F48 N4 O2 P4 -","2","1","","Conor S. Smith; Charles W. Branham; Brian J. Marquardt; Kent R. Mann","Oxygen Gas Sensing by Luminescence Quenching in Crystals of Cu(xantphos)(phen)+ Complexes","Journal of the American Chemical Society","2010","132","","14079","14085","10.1021/ja103112m","","","0.71073","MoKα","","0.0578","0.038","","","0.092","0.1052","","","","","","1.015","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103192","20.755","0.003","21.087","0.003","39.817","0.006","102.684","0.002","90.297","0.003","106.636","0.002","16246","4","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H64 B Cu F24 N2 O P2 -","- C89 H64 B Cu F24 N2 O P2 -","- C712 H512 B8 Cu8 F192 N16 O8 P16 -","8","4","","Conor S. Smith; Charles W. Branham; Brian J. Marquardt; Kent R. Mann","Oxygen Gas Sensing by Luminescence Quenching in Crystals of Cu(xantphos)(phen)+ Complexes","Journal of the American Chemical Society","2010","132","","14079","14085","10.1021/ja103112m","","","0.71073","MoKα","","0.1882","0.0925","","","0.2414","0.3005","","","","","","1.057","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103193","16.7605","0.0005","17.7508","0.0005","14.1762","0.0004","90","","117.053","0.002","90","","3756.1","0.2","193","2","193","2","","","","","","","chemical synthesis","7","C 1 2/c 1","-C 2yc","15","tr040","(Acetato){10-benzo[<i>h</i>]quinolinato)chloropalladium(III) Dimer . Iodobenzene . Dichloromethane Solvate","","- C37 H29 Cl4 I N2 O4 Pd2 -","- C36 H27 Cl2 I N2 O4 Pd2 -","- C144 H108 Cl8 I4 N8 O16 Pd8 -","4","0.5","","David C. Powers; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Tobias Ritter","Bimetallic Reductive Elimination from Dinuclear Pd(III) Complexes","Journal of the American Chemical Society","2010","132","","14092","14103","10.1021/ja1036644","","","0.71073","MoKα","","0.0491","0.0336","","","0.0761","0.0804","","","","","","1.075","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103194","10.0632","0.0002","11.2475","0.0002","13.923","0.0002","96.989","0.001","95.423","0.001","108.992","0.001","1463.85","0.05","193","2","193","2","","","","","","","chemical synthesis","6","P -1","-P 1","2","DCP2","Tris(μ~2~-acetato)-bis(benzo[<i>h</i>]quinolato)-(μ~2~-chloro)-tripalladium(II)","","- C32 H25 Cl N2 O6 Pd3 -","- C32 H25 Cl N2 O6 Pd3 -","- C64 H50 Cl2 N4 O12 Pd6 -","2","1","","David C. Powers; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Tobias Ritter","Bimetallic Reductive Elimination from Dinuclear Pd(III) Complexes","Journal of the American Chemical Society","2010","132","","14092","14103","10.1021/ja1036644","","","0.71073","MoKα","","0.0479","0.0369","","","0.0792","0.0834","","","","","","1.091","","","","has coordinates","194623","2020-10-21","18:00:00",""
"4103195","16.039","0.002","16.038","0.002","9.9156","0.0013","90","","90","","90","","2550.6","0.6","193","2","193","2","","","","","","","chemical synthesis","5","P m m n :2","-P 2ab 2a","59","DCP1","(Acetato)(10-benzo[h]quinolinato)palladium(II) dimer","","- C30 H22 N2 O4 Pd2 -","- C30 H22 N2 O4 Pd2 -","- C120 H88 N8 O16 Pd8 -","4","0.5","","David C. Powers; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Tobias Ritter","Bimetallic Reductive Elimination from Dinuclear Pd(III) Complexes","Journal of the American Chemical Society","2010","132","","14092","14103","10.1021/ja1036644","","","0.71073","MoKα","","0.0297","0.0282","","","0.0701","0.0713","","","","","","1.12","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103196","16.3668","0.0004","17.4864","0.0004","26.005","0.0006","90","","90","","90","","7442.5","0.3","193","2","193","2","","","","","","","chemical synthesis","6","P b c a","-P 2ac 2ab","61","DCP-IV-15","Bis(acetato)bis(μ~2~-acetato)-bis(10-benzo[<i>h</i>]quinolato)- dipalladium(III) bis(dichloromethane) solvate","","- C36 H32 Cl4 N2 O8 Pd2 -","- C36 H32 Cl4 N2 O8 Pd2 -","- C288 H256 Cl32 N16 O64 Pd16 -","8","1","","David C. Powers; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Tobias Ritter","Bimetallic Reductive Elimination from Dinuclear Pd(III) Complexes","Journal of the American Chemical Society","2010","132","","14092","14103","10.1021/ja1036644","","","0.71073","MoKα","","0.0866","0.0428","","","0.0819","0.0969","","","","","","1.005","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103197","14.089","0.005","7.999","0.003","15.361","0.005","90","","90","","90","","1731.2","1.1","110","2","110","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C4.5 H9 B0.5 F2 Fe N2.5 O1.5 S -","- C4.5 H9 B0.5 F2 Fe N2.5 O1.5 S -","- C36 H72 B4 F16 Fe8 N20 O12 S8 -","8","2","","Chung-Hung Hsieh; Marcetta Y. Darensbourg","A {Fe(NO)3}10 Trinitrosyliron Complex Stabilized by an N-Heterocyclic Carbene and the Cationic and Neutral {Fe(NO)2}9/10 Products of Its NO Release","Journal of the American Chemical Society","2010","132","","14118","14125","10.1021/ja104135x","","","0.71073","MoKα","","0.0275","0.0245","","","0.0529","0.0541","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103198","8.252","0.004","10.218","0.005","15.767","0.008","104.936","0.006","95.022","0.006","101.285","0.006","1246.3","1.1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H25 B F4 Fe N5 O3.5 -","- C21 H25 B F4 Fe N5 O3.5 -","- C42 H50 B2 F8 Fe2 N10 O7 -","2","1","","Chung-Hung Hsieh; Marcetta Y. Darensbourg","A {Fe(NO)3}10 Trinitrosyliron Complex Stabilized by an N-Heterocyclic Carbene and the Cationic and Neutral {Fe(NO)2}9/10 Products of Its NO Release","Journal of the American Chemical Society","2010","132","","14118","14125","10.1021/ja104135x","","","0.71073","MoKα","","0.0927","0.0701","","","0.1632","0.1793","","","","","","1.001","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103199","7.61","0.005","8.319","0.005","19.33","0.012","78.557","0.011","87.345","0.01","69.123","0.01","1120.3","1.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Fe N4 O3 -","- C22 H24 Fe N4 O3 -","- C44 H48 Fe2 N8 O6 -","2","1","","Chung-Hung Hsieh; Marcetta Y. Darensbourg","A {Fe(NO)3}10 Trinitrosyliron Complex Stabilized by an N-Heterocyclic Carbene and the Cationic and Neutral {Fe(NO)2}9/10 Products of Its NO Release","Journal of the American Chemical Society","2010","132","","14118","14125","10.1021/ja104135x","","","0.71073","MoKα","","0.0723","0.0466","","","0.0978","0.1131","","","","","","1.036","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103200","16.344","0.012","8.202","0.006","22.232","0.017","90","","93.201","0.009","90","","2976","4","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 Fe N4 O3.5 S -","- C27 H32 Fe N4 O3.5 S -","- C108 H128 Fe4 N16 O14 S4 -","4","1","","Chung-Hung Hsieh; Marcetta Y. Darensbourg","A {Fe(NO)3}10 Trinitrosyliron Complex Stabilized by an N-Heterocyclic Carbene and the Cationic and Neutral {Fe(NO)2}9/10 Products of Its NO Release","Journal of the American Chemical Society","2010","132","","14118","14125","10.1021/ja104135x","","","0.71073","MoKα","","0.0838","0.0572","","","0.1552","0.1709","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103201","18.745","0.002","16.1454","0.0018","16.911","0.002","90","","94.181","0.004","90","","5104.4","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[SiP(Ph)3]Pt-CH3","","","- C63 H61 O2 P3 Pt Si -","- C63 H61 O2 P3 Pt Si -","- C252 H244 O8 P12 Pt4 Si4 -","4","1","","Charlene Tsay; Neal P. Mankad; Jonas C. Peters","Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes","Journal of the American Chemical Society","2010","132","","13975","13977","10.1021/ja105284p","","","0.71073","MoKα","","0.0844","0.0506","","","0.1189","0.1457","","","","","","1.091","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103202","11.1768","0.0012","13.3695","0.0014","15.7387","0.0016","87.699","0.002","84.961","0.002","86.359","0.002","2336.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[SiP(Ph)3]Pt-Cl","","","- C55 H44 Cl3 P3 Pt Si -","- C55 H44 Cl3 P3 Pt Si -","- C110 H88 Cl6 P6 Pt2 Si2 -","2","1","","Charlene Tsay; Neal P. Mankad; Jonas C. Peters","Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes","Journal of the American Chemical Society","2010","132","","13975","13977","10.1021/ja105284p","","","0.71073","MoKα","","0.0489","0.0422","","","0.104","0.1081","","","","","","1.082","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103203","18.572","0.003","16.157","0.003","16.968","0.003","90","","96.473","0.003","90","","5059.1","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[SiP(Ph)3]Pt-H","","","- C62 H59 O2 P3 Pt Si -","- C62 H59 O2 P3 Pt Si -","- C248 H236 O8 P12 Pt4 Si4 -","4","1","","Charlene Tsay; Neal P. Mankad; Jonas C. Peters","Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes","Journal of the American Chemical Society","2010","132","","13975","13977","10.1021/ja105284p","","","0.71073","MoKα","","0.0776","0.0435","","","0.0872","0.1036","","","","","","1.025","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103204","13.1515","0.0015","17.621","0.002","19.654","0.002","65.549","0.002","77.723","0.002","86.737","0.002","4048.9","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","{[SiP(Ph)3]Pt-OEt2}{BArF}","","","- C90 H64 B F24 O P3 Pt Si -","- C90 H64 B F24 O P3 Pt Si -","- C180 H128 B2 F48 O2 P6 Pt2 Si2 -","2","1","","Charlene Tsay; Neal P. Mankad; Jonas C. Peters","Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes","Journal of the American Chemical Society","2010","132","","13975","13977","10.1021/ja105284p","","","0.71073","MoKα","","0.0663","0.0463","","","0.1053","0.1152","","","","","","1.037","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103205","12.6057","0.0011","17.5913","0.0016","20.2306","0.0018","84.459","0.002","84.435","0.002","86.795","0.002","4439.2","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","{[SiP(Ph)3]Pt-Cl2CH2}{BArF}","","","- C45 H31 B0.5 Cl4 F12 P1.5 Pt0.5 Si0.5 -","- C45 H31 B0.5 Cl4 F12 P1.5 Pt0.5 Si0.5 -","- C180 H124 B2 Cl16 F48 P6 Pt2 Si2 -","4","2","","Charlene Tsay; Neal P. Mankad; Jonas C. Peters","Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes","Journal of the American Chemical Society","2010","132","","13975","13977","10.1021/ja105284p","","","0.71073","MoKα","","0.084","0.0635","","","0.16","0.1736","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103206","13.2678","0.0011","17.6132","0.0015","18.7753","0.0016","84.415","0.002","72.421","0.002","86.39","0.001","4160.2","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","{[SiP(Ph)3]Pt-tol}{BArF}","","","- C46.5 H29.5 B0.5 F12 P1.5 Pt0.5 Si0.5 -","- C46.5 H31 B0.5 F12 P1.5 Pt0.5 Si0.5 -","- C186 H124 B2 F48 P6 Pt2 Si2 -","4","2","","Charlene Tsay; Neal P. Mankad; Jonas C. Peters","Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes","Journal of the American Chemical Society","2010","132","","13975","13977","10.1021/ja105284p","","","0.71073","MoKα","","0.0448","0.0351","","","0.0745","0.0795","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103207","11.088","0.002","11.156","0.002","35.058","0.007","89.95","0.03","88.84","0.03","61.63","0.03","3814.8","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[SiP(iPr)3]Pt-H","","","- C38.5 H61 P3 Pt Si -","- C38.5 H61 P3 Pt Si -","- C154 H244 P12 Pt4 Si4 -","4","2","","Charlene Tsay; Neal P. Mankad; Jonas C. Peters","Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes","Journal of the American Chemical Society","2010","132","","13975","13977","10.1021/ja105284p","","","0.71073","MoKα","","0.0407","0.0307","","","0.0637","0.0674","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103208","12.8824","0.001","38.101","0.003","14.3445","0.0011","90","","92.557","0.001","90","","7033.7","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","{[SiP(iPr)3]Pt}{BArF}","","","- C68 H66 B F24 P3 Pt Si -","- C68 H66 B F24 P3 Pt Si -","- C272 H264 B4 F96 P12 Pt4 Si4 -","4","1","","Charlene Tsay; Neal P. Mankad; Jonas C. Peters","Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes","Journal of the American Chemical Society","2010","132","","13975","13977","10.1021/ja105284p","","","0.71073","MoKα","","0.0485","0.0358","","","0.072","0.0767","","","","","","1.094","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103209","12.8547","0.0012","14.9356","0.0013","38.282","0.004","90","","96.574","0.002","90","","7301.5","1.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","{[SiP(iPr)3]Pt-NCMe}{BArF}","","","- C70 H69 B F24 N P3 Pt Si -","- C70 H69 B F24 N P3 Pt Si -","- C280 H276 B4 F96 N4 P12 Pt4 Si4 -","4","1","","Charlene Tsay; Neal P. Mankad; Jonas C. Peters","Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes","Journal of the American Chemical Society","2010","132","","13975","13977","10.1021/ja105284p","","","0.71073","MoKα","","0.0474","0.0341","","","0.0706","0.0762","","","","","","1.06","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103210","10.1305","0.0007","24.594","0.002","15.8544","0.0013","90","","91.071","0.002","90","","3949.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[SiP(iPr)3]Pd-Cl","","","- C37 H56 Cl3 P3 Pd Si -","- C37 H56 Cl3 P3 Pd Si -","- C148 H224 Cl12 P12 Pd4 Si4 -","4","1","","Charlene Tsay; Neal P. Mankad; Jonas C. Peters","Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes","Journal of the American Chemical Society","2010","132","","13975","13977","10.1021/ja105284p","","","0.71073","MoKα","","0.045","0.0333","","","0.0751","0.082","","","","","","1.052","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103211","12.8728","0.001","38.131","0.003","14.4024","0.0011","90","","92.337","0.001","90","","7063.6","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","{[SiP(iPr)3]Pd}{BArF}","","","- C68 H66 B F24 P3 Pd Si -","- C68 H66 B F24 P3 Pd Si -","- C272 H264 B4 F96 P12 Pd4 Si4 -","4","1","","Charlene Tsay; Neal P. Mankad; Jonas C. Peters","Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes","Journal of the American Chemical Society","2010","132","","13975","13977","10.1021/ja105284p","","","0.71073","MoKα","","0.0729","0.0483","","","0.1419","0.1603","","","","","","1.067","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103212","37.113","0.006","8.4961","0.0015","7.3282","0.0013","90","","95.987","0.003","90","","2298.1","0.7","93","2","93","2","","","","","","","","4","C 1 2 1","C 2y","5","","1,2-Bis(2-methyl-5-(1-naphthyl)-3-thienyl)perfluorocyclopentene and perfluoronaphthalene","","- C55 H22 F22 S2 -","- C55 H22 F22 S2 -","- C110 H44 F44 S4 -","2","0.5","","Masakazu Morimoto; Masahiro Irie","A Diarylethene Cocrystal that Converts Light into Mechanical Work","Journal of the American Chemical Society","2010","132","","14172","14178","10.1021/ja105356w","","","0.71073","MoKα","","0.0551","0.0528","","","0.1413","0.1464","","","","","","1.069","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103213","37.055","0.007","8.5204","0.0017","7.3284","0.0014","90","","95.687","0.003","90","","2302.4","0.8","93","2","93","2","","","","","","","","4","C 1 2 1","C 2y","5","","1,2-Bis(2-methyl-5-(1-naphthyl)-3-thienyl)perfluorocyclopentene and perfluoronaphthalene","","- C55 H22 F22 S2 -","- C55 H22 F22 S2 -","- C110 H44 F44 S4 -","2","0.5","","Masakazu Morimoto; Masahiro Irie","A Diarylethene Cocrystal that Converts Light into Mechanical Work","Journal of the American Chemical Society","2010","132","","14172","14178","10.1021/ja105356w","","","0.71073","MoKα","","0.0784","0.0759","","","0.1957","0.1998","","","","","","1.114","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103214","9.6333","0.0015","11.8268","0.0018","24.376","0.004","93.111","0.002","91.991","0.002","90.387","0.002","2771.3","0.8","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","1,2-dimethyl-8,8,9,9,10,10-hexafluoro-4,14-di(1-naphthyl)-3,15-dithiatetracyclo-[10.3.0.0^2,6^.0^7,11^]pentadeca-4,6(7),11(12),13-tetraene","","- C35 H22 F6 S2 -","- C35 H22 F6 S2 -","- C140 H88 F24 S8 -","4","2","","Masakazu Morimoto; Masahiro Irie","A Diarylethene Cocrystal that Converts Light into Mechanical Work","Journal of the American Chemical Society","2010","132","","14172","14178","10.1021/ja105356w","","","0.71073","MoKα","","0.0823","0.0773","","","0.2097","0.2122","","","","","","1.14","","","","has coordinates","211399","2020-10-21","18:00:00",""
"4103215","37.27","0.003","7.0743","0.0006","18.1981","0.0017","90","","93.537","0.002","90","","4789","0.7","143","1","143","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H31 N O3 S -","- C26 H31 N O3 S -","- C208 H248 N8 O24 S8 -","8","1","","Petr Valenta; Patrick J. Carroll; Patrick J. Walsh","Stereoselective Synthesis of β-Hydroxy Enamines, Aminocyclopropanes, and 1,3-Amino Alcohols via Asymmetric Catalysis","Journal of the American Chemical Society","2010","132","","14179","14190","10.1021/ja105435y","","","0.71073","MoKα","","0.0578","0.0455","","","0.1111","0.121","","","","","","1.078","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103216","24.2849","0.0011","8.0847","0.0004","24.1022","0.0011","90","","90","","90","","4732.1","0.4","163","1","163","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H35 N O3 S -","- C25 H35 N O3 S -","- C200 H280 N8 O24 S8 -","8","1","","Petr Valenta; Patrick J. Carroll; Patrick J. Walsh","Stereoselective Synthesis of β-Hydroxy Enamines, Aminocyclopropanes, and 1,3-Amino Alcohols via Asymmetric Catalysis","Journal of the American Chemical Society","2010","132","","14179","14190","10.1021/ja105435y","","","0.71073","MoKα","","0.0848","0.0529","","","0.1263","0.1428","","","","","","1.032","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103217","17.8473","0.0019","11.6887","0.0013","24.162","0.003","90","","90.76","0.006","90","","5040","1","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H33 N O3 S -","- C29 H33 N O3 S -","- C232 H264 N8 O24 S8 -","8","4","","Petr Valenta; Patrick J. Carroll; Patrick J. Walsh","Stereoselective Synthesis of β-Hydroxy Enamines, Aminocyclopropanes, and 1,3-Amino Alcohols via Asymmetric Catalysis","Journal of the American Chemical Society","2010","132","","14179","14190","10.1021/ja105435y","","","0.71073","MoKα","","0.0786","0.055","","","0.1304","0.1426","","","","","","1.099","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103218","16.7153","0.0015","6.1216","0.0007","23.543","0.002","90","","101.35","0.006","90","","2361.9","0.4","143","1","143","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 N O3 S -","- C27 H31 N O3 S -","- C108 H124 N4 O12 S4 -","4","1","","Petr Valenta; Patrick J. Carroll; Patrick J. Walsh","Stereoselective Synthesis of β-Hydroxy Enamines, Aminocyclopropanes, and 1,3-Amino Alcohols via Asymmetric Catalysis","Journal of the American Chemical Society","2010","132","","14179","14190","10.1021/ja105435y","","","0.71073","MoKα","","0.0693","0.042","","","0.0944","0.1055","","","","","","1.022","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103219","7.4514","0.0002","11.2179","0.0003","22.8043","0.0006","90","","90","","90","","1906.19","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 Br N O4 -","- C19 H26 Br N O4 -","- C76 H104 Br4 N4 O16 -","4","1","","Željko Skoko; Sharona Zamir; Panče Naumov; Joel Bernstein","The Thermosalient Phenomenon. ""Jumping Crystals"" and Crystal Chemistry of the Anticholinergic Agent Oxitropium Bromide","Journal of the American Chemical Society","2010","132","","14191","14202","10.1021/ja105508b","","","0.71073","MoKα","","0.0881","0.0461","","","0.1019","0.1246","","","","","","1.047","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103220","7.3927","0.0002","10.1512","0.0004","24.6291","0.0009","90","","90","","90","","1848.29","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 Br N O4 -","- C19 H26 Br N O4 -","- C76 H104 Br4 N4 O16 -","4","1","","Željko Skoko; Sharona Zamir; Panče Naumov; Joel Bernstein","The Thermosalient Phenomenon. ""Jumping Crystals"" and Crystal Chemistry of the Anticholinergic Agent Oxitropium Bromide","Journal of the American Chemical Society","2010","132","","14191","14202","10.1021/ja105508b","","","0.71073","MoKα","","0.0517","0.0321","","","0.0695","0.0764","","","","","","1.019","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103221","7.4709","0.0007","11.2277","0.0011","22.7979","0.0018","90","0.005","90","0.005","90","0.005","1912.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 Br N O4 -","- C19 H26 Br N O4 -","- C76 H104 Br4 N4 O16 -","4","1","","Željko Skoko; Sharona Zamir; Panče Naumov; Joel Bernstein","The Thermosalient Phenomenon. ""Jumping Crystals"" and Crystal Chemistry of the Anticholinergic Agent Oxitropium Bromide","Journal of the American Chemical Society","2010","132","","14191","14202","10.1021/ja105508b","","","0.71073","MoKα","","0.1348","0.0528","","","0.1055","0.1329","","","","","","0.968","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103222","19.7588","0.0009","7.783","0.0004","20.3595","0.001","90","","90","","90","","3130.9","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H37 Br O6 -","- C36 H37 Br O6 -","- C144 H148 Br4 O24 -","4","1","","Qiang Zhang; Branko Mitasev; Ji Qi; John A. Porco","Total Synthesis of Plukenetione A","Journal of the American Chemical Society","2010","132","","14212","14215","10.1021/ja105784s","","","0.71073","MoKα","","0.0677","0.0363","","","0.0699","0.0791","","","","","","1.02","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103223","16.1664","0.0006","22.2456","0.0009","8.7124","0.0004","90","","91.709","0.002","90","","3131.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 Br O6 -","- C36 H37 Br O6 -","- C144 H148 Br4 O24 -","4","1","","Qiang Zhang; Branko Mitasev; Ji Qi; John A. Porco","Total Synthesis of Plukenetione A","Journal of the American Chemical Society","2010","132","","14212","14215","10.1021/ja105784s","","","0.71073","MoKα","","0.0734","0.0414","","","0.0968","0.1122","","","","","","1.007","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103224","8.3166","0.0008","10.244","0.001","18.5583","0.0017","93.377","0.003","93.939","0.004","93.022","0.004","1572","0.3","180","2","180","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C32 H42 B N8 Nb -","- C32 H42 B N8 Nb -","- C64 H84 B2 N16 Nb2 -","2","1","","Cédric Boulho; Pascal Oulié; Laure Vendier; Michel Etienne; Véronique Pimienta; Abel Locati; Fabienne Bessac; Feliu Maseras; Dimitrios A. Pantazis; John E. McGrady","C-H Bond Activation of Benzene by Unsaturated η2-Cyclopropene and η2-Benzyne Complexes of Niobium","Journal of the American Chemical Society","2010","132","","14239","14250","10.1021/ja1061505","","","0.71073","MoKα","","0.0982","0.0624","","","0.1344","0.1494","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103225","31.593","0.003","10.0459","0.0006","27.465","0.002","90","","113.036","0.01","90","","8021.8","1.2","180","2","180","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H44 B N6 Nb O2 -","- C28 H44 B N6 Nb O2 -","- C224 H352 B8 N48 Nb8 O16 -","8","1","","Cédric Boulho; Pascal Oulié; Laure Vendier; Michel Etienne; Véronique Pimienta; Abel Locati; Fabienne Bessac; Feliu Maseras; Dimitrios A. Pantazis; John E. McGrady","C-H Bond Activation of Benzene by Unsaturated η2-Cyclopropene and η2-Benzyne Complexes of Niobium","Journal of the American Chemical Society","2010","132","","14239","14250","10.1021/ja1061505","","","0.71073","MoKα","","0.0846","0.0505","","","0.1319","0.1455","","","","","","0.867","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103226","8.2075","0.0005","15.1721","0.0009","10.3794","0.0006","90","","93.729","0.005","90","","1289.76","0.13","180","2","180","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C26 H32 B N6 Nb O -","- C26 H32 B N6 Nb O -","- C52 H64 B2 N12 Nb2 O2 -","2","1","","Cédric Boulho; Pascal Oulié; Laure Vendier; Michel Etienne; Véronique Pimienta; Abel Locati; Fabienne Bessac; Feliu Maseras; Dimitrios A. Pantazis; John E. McGrady","C-H Bond Activation of Benzene by Unsaturated η2-Cyclopropene and η2-Benzyne Complexes of Niobium","Journal of the American Chemical Society","2010","132","","14239","14250","10.1021/ja1061505","","","0.71073","MoKα","","0.0443","0.0302","","","0.0508","0.0534","","","","","","0.927","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103227","11.3446","0.0005","35.9037","0.001","15.6188","0.0007","90","","109.927","0.005","90","","5980.8","0.5","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H64 Cl6 O12 Ru2 -","- C56 H64 Cl6 O12 Ru2 -","- C224 H256 Cl24 O48 Ru8 -","4","1","","Sebastian Mirtschin; Adam Slabon-Turski; Rosario Scopelliti; Aldrik H. Velders; Kay Severin","A Coordination Cage with an Adaptable Cavity Size","Journal of the American Chemical Society","2010","132","","14004","14005","10.1021/ja1063789","","","0.71073","MoKα","","0.0656","0.0569","","","0.144","0.1485","","","","","","1.105","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103228","28.744","0.009","32.301","0.009","31.287","0.008","90","","107.183","0.019","90","","27752","14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C240 H204 Cl36 N12 O36 Ru6 -","- C240 H204 Cl36 N12 O36 Ru6 -","- C960 H816 Cl144 N48 O144 Ru24 -","4","1","","Sebastian Mirtschin; Adam Slabon-Turski; Rosario Scopelliti; Aldrik H. Velders; Kay Severin","A Coordination Cage with an Adaptable Cavity Size","Journal of the American Chemical Society","2010","132","","14004","14005","10.1021/ja1063789","","","0.71073","MoKα","","0.286","0.1637","","","0.3893","0.4662","","","","","","1.424","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103229","42.321","0.004","27.694","0.003","22.302","0.003","90","","93.769","0.011","90","","26082","5","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C240 H208 Cl20 N12 O36 Ru6 -","- C240 H208 Cl20 N12 O36 Ru6 -","- C960 H832 Cl80 N48 O144 Ru24 -","4","0.5","","Sebastian Mirtschin; Adam Slabon-Turski; Rosario Scopelliti; Aldrik H. Velders; Kay Severin","A Coordination Cage with an Adaptable Cavity Size","Journal of the American Chemical Society","2010","132","","14004","14005","10.1021/ja1063789","","","0.71073","MoKα","","0.2705","0.1589","","","0.3981","0.4461","","","","","","1.145","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103230","11.3147","0.0006","14.0739","0.0008","12.8472","0.0007","90","","90","0.005","90","","2045.81","0.19","12","2","12","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C41 H34 Cl4 Cr2 Fe N12 -","- C41 H34 Cl4 Cr2 Fe N12 -","- C82 H68 Cl8 Cr4 Fe2 N24 -","2","1","","Michael Nippe; Jingfang Wang; Eckhard Bill; Håkon Hope; Naresh S. Dalal; John F. Berry","Crystals in Which Some Metal Atoms are More Equal Than Others: Inequalities From Crystal Packing and Their Spectroscopic/Magnetic Consequences","Journal of the American Chemical Society","2010","132","","14261","14272","10.1021/ja106510g","","","0.71073","MoKα","","0.0242","0.0238","","","0.0576","0.0579","","","","","","1.019","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103231","12.8741","0.0005","14.0942","0.0005","11.3501","0.0004","90","","90","","90","","2059.48","0.13","100","2","100","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Cr2 Mn N12 -","- C41 H34 Cl4 Cr2 Mn N12 -","- C82 H68 Cl8 Cr4 Mn2 N24 -","2","0.5","","Michael Nippe; Jingfang Wang; Eckhard Bill; Håkon Hope; Naresh S. Dalal; John F. Berry","Crystals in Which Some Metal Atoms are More Equal Than Others: Inequalities From Crystal Packing and Their Spectroscopic/Magnetic Consequences","Journal of the American Chemical Society","2010","132","","14261","14272","10.1021/ja106510g","","","0.71073","MoKα","","0.0781","0.0498","","","0.1063","0.1149","","","","","","0.953","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103232","11.3859","0.0004","14.1065","0.0004","12.8842","0.0004","90","","89.9967","0.0004","90","","2069.4","0.11","11","2","11","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C41 H34 Cl4 Cr2 Mn N12 -","- C41 H34 Cl4 Cr2 Mn N12 -","- C82 H68 Cl8 Cr4 Mn2 N24 -","2","1","","Michael Nippe; Jingfang Wang; Eckhard Bill; Håkon Hope; Naresh S. Dalal; John F. Berry","Crystals in Which Some Metal Atoms are More Equal Than Others: Inequalities From Crystal Packing and Their Spectroscopic/Magnetic Consequences","Journal of the American Chemical Society","2010","132","","14261","14272","10.1021/ja106510g","","","0.71073","MoKα","","0.0235","0.023","","","0.0579","0.0583","","","","","","1.057","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103233","16.255","0.003","15.817","0.003","17.08","0.003","90","","98.676","0.003","90","","4341.1","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl2 Mn Mo2 N12 O -","- C44 H42 Cl2 Mn Mo2 N12 O -","- C176 H168 Cl8 Mn4 Mo8 N48 O4 -","4","1","","Michael Nippe; Jingfang Wang; Eckhard Bill; Håkon Hope; Naresh S. Dalal; John F. Berry","Crystals in Which Some Metal Atoms are More Equal Than Others: Inequalities From Crystal Packing and Their Spectroscopic/Magnetic Consequences","Journal of the American Chemical Society","2010","132","","14261","14272","10.1021/ja106510g","","","0.71073","MoKα","","0.0829","0.0582","","","0.121","0.1326","","","","","","1.049","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103234","9.0668","0.0007","9.8264","0.0007","40.256","0.003","95.495","0.01","92.413","0.01","104.368","0.01","3450.3","0.5","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H28 Au Cl F2 N2 -","- C43.5 H28 Au Cl F2 N2 -","- C174 H112 Au4 Cl4 F8 N8 -","4","2","","Vonika Ka-Man Au; Keith Man-Chung Wong; Daniel Ping-Kuen Tsang; Mei-Yee Chan; Nianyong Zhu; Vivian Wing-Wah Yam","High-Efficiency Green Organic Light-Emitting Devices Utilizing Phosphorescent Bis-cyclometalated Alkynylgold(III) Complexes","Journal of the American Chemical Society","2010","132","","14273","14278","10.1021/ja106579d","","","0.71073","MoKα","","0.0529","0.0415","","","0.0885","0.0916","","","","","","1.185","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103235","7.9489","0.0006","15.3972","0.0011","13.091","0.0009","90","","106.67","0.001","90","","1534.88","0.19","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Br1.15 Cl5.85 S Sb -","- C4 H10 Br1.153 Cl5.847 S Sb -","- C16 H40 Br4.612 Cl23.388 S4 Sb4 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks","Simple Reagents for Direct Halonium-Induced Polyene Cyclizations","Journal of the American Chemical Society","2010","132","","14303","14314","10.1021/ja106813s","","","0.71073","MoKα","","0.0782","0.0707","","","0.2072","0.2154","","","","","","1.088","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103236","6.5204","0.0003","7.5841","0.0003","14.6753","0.0007","97.119","0.001","98.834","0.001","109.628","0.001","663.32","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H21 Br O3 -","- C12 H21 Br O3 -","- C24 H42 Br2 O6 -","2","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks","Simple Reagents for Direct Halonium-Induced Polyene Cyclizations","Journal of the American Chemical Society","2010","132","","14303","14314","10.1021/ja106813s","","","0.71073","MoKα","","0.038","0.0281","","","0.068","0.0721","","","","","","1.036","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103237","15.821","0.003","7.1644","0.0012","15.281","0.003","90","","116.583","0.002","90","","1549","0.5","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Br O3 -","- C16 H25 Br O3 -","- C64 H100 Br4 O12 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks","Simple Reagents for Direct Halonium-Induced Polyene Cyclizations","Journal of the American Chemical Society","2010","132","","14303","14314","10.1021/ja106813s","","","0.71073","MoKα","","0.1552","0.0548","","","0.0997","0.1304","","","","","","1.006","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103238","8.4507","0.0013","11.6837","0.0018","13.062","0.002","63.818","0.002","73.597","0.002","71.708","0.002","1083.1","0.3","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H33 Br O4 -","- C23 H33 Br O4 -","- C46 H66 Br2 O8 -","2","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks","Simple Reagents for Direct Halonium-Induced Polyene Cyclizations","Journal of the American Chemical Society","2010","132","","14303","14314","10.1021/ja106813s","","","0.71073","MoKα","","0.0793","0.0672","","","0.1675","0.1754","","","","","","1.066","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103239","11.3702","0.0008","15.5446","0.001","15.5823","0.001","119.103","0.001","90.465","0.001","91.236","0.001","2405.3","0.3","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H20 Cl7 I2 S2 Sb -","- C8 H20 Cl7 I2 S2 Sb -","- C32 H80 Cl28 I8 S8 Sb4 -","4","2","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks","Simple Reagents for Direct Halonium-Induced Polyene Cyclizations","Journal of the American Chemical Society","2010","132","","14303","14314","10.1021/ja106813s","","","0.71073","MoKα","","0.0735","0.0556","","","0.146","0.16","","","","","","1.073","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103240","7.365","0.002","23.739","0.006","9.854","0.003","90","","109.818","0.003","90","","1620.8","0.8","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H38 N4 O4 -","- C38 H38 N4 O4 -","- C76 H76 N8 O8 -","2","1","","Haoxing Wu; Fei Xue; Xue Xiao; Yong Qin","Total Synthesis of (+)-Perophoramidine and Determination of the Absolute Configuration","Journal of the American Chemical Society","2010","132","","14052","14054","10.1021/ja1070043","","","0.71073","MoKα","","0.0494","0.0424","","","0.0813","0.0846","","","","","","1.003","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103241","22.998","0.0017","8.563","0.003","16.146","0.005","90","","90","","90","","3179.7","1.5","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","Zinc 1,3,5-Benzenetriphosphonatehydrate","","","- C6 H3 O13 P3 Zn3 -","- C6 H3 O13 P3 Zn3 -","- C48 H24 O104 P24 Zn24 -","8","","","Jared M. Taylor; Roger K. Mah; Igor L. Moudrakovski; Christopher I. Ratcliffe; Ramanathan Vaidhyanathan; George K. H. Shimizu","Facile Proton Conduction via Ordered Water Molecules in a Phosphonate Metal-Organic Framework","Journal of the American Chemical Society","2010","132","","14055","14057","10.1021/ja107035w","","","0.71073","MoKα","","0.0502","0.0401","","","0.0926","0.0997","","","","","","1.13","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103242","22.972","0.005","8.571","0.0017","16.148","0.003","90","","90","","90","","3179.4","1.1","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","Zinc 1,3,5-Benzenetriphosphonate tetrahydrate","","","- C6 H7 O13 P3 Zn3 -","- C6 H3 O13 P3 Zn3 -","- C48 H24 O104 P24 Zn24 -","8","","","Jared M. Taylor; Roger K. Mah; Igor L. Moudrakovski; Christopher I. Ratcliffe; Ramanathan Vaidhyanathan; George K. H. Shimizu","Facile Proton Conduction via Ordered Water Molecules in a Phosphonate Metal-Organic Framework","Journal of the American Chemical Society","2010","132","","14055","14057","10.1021/ja107035w","","","0.71073","MoKα","","0.0406","0.033","","","0.0972","0.102","","","","","","1.168","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103243","17.507","0.004","39.237","0.008","24.684","0.005","90","","131.52","0.03","90","","12695","8","113","1","113","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H160 N19 O10 P2 -","- C98 H160 N19 O10 P2 -","- C392 H640 N76 O40 P8 -","4","1","","Jonathan L. Sessler; Jiajia Cai; Han-Yuan Gong; Xiaoping Yang; Jonathan F. Arambula; Benjamin P. Hay","A Pyrrolyl-Based Triazolophane: A Macrocyclic Receptor With CH and NH Donor Groups That Exhibits a Preference for Pyrophosphate Anions","Journal of the American Chemical Society","2010","132","","14058","14060","10.1021/ja107098r","","","0.710747","MoKα","","0.1368","0.0979","","","0.2669","0.2973","","","","","","0.973","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103244","18.799","0.004","7.4924","0.0015","23.685","0.005","90","","125.38","0.03","90","","2720","1.4","223","2","223","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H68 N16 O5 -","- C54 H68 N16 O5 -","- C108 H136 N32 O10 -","2","0.5","","Jonathan L. Sessler; Jiajia Cai; Han-Yuan Gong; Xiaoping Yang; Jonathan F. Arambula; Benjamin P. Hay","A Pyrrolyl-Based Triazolophane: A Macrocyclic Receptor With CH and NH Donor Groups That Exhibits a Preference for Pyrophosphate Anions","Journal of the American Chemical Society","2010","132","","14058","14060","10.1021/ja107098r","","","0.710747","MoKα","","0.1945","0.0929","","","0.2083","0.27","","","","","","0.986","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103245","13.6803","0.0005","15.5256","0.0006","17.9443","0.0007","70.35","","80.36","","67.26","","3307.2","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H114 N2 Si12 -","- C46 H114 N2 Si12 -","- C92 H228 N4 Si24 -","2","1","","Torahiko Yamaguchi; Akira Sekiguchi; Matthias Driess","An N-Heterocyclic Carbene-Disilyne Complex and Its Reactivity toward ZnCl2","Journal of the American Chemical Society","2010","132","","14061","14063","10.1021/ja107160g","","","0.71073","MoKα","","0.0447","0.0353","","","0.0943","0.1008","","","","","","1.027","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103246","10.3809","0.0012","16.1779","0.0019","21.481","0.003","93.502","0.002","90.604","0.002","107.516","0.002","3432.3","0.7","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H108 Cl2 N2 Si12 Zn -","- C47 H108 Cl2 N2 Si12 Zn -","- C94 H216 Cl4 N4 Si24 Zn2 -","2","1","","Torahiko Yamaguchi; Akira Sekiguchi; Matthias Driess","An N-Heterocyclic Carbene-Disilyne Complex and Its Reactivity toward ZnCl2","Journal of the American Chemical Society","2010","132","","14061","14063","10.1021/ja107160g","","","0.71073","MoKα","","0.077","0.0479","","","0.1137","0.127","","","","","","1.025","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103247","20.116","0.003","9.738","0.005","18.742","0.006","90","","90","","90","","3671","2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40 H48 N2 Si Zr -","- C40 H48 N2 Si Zr -","- C160 H192 N8 Si4 Zr4 -","4","1","","Shaoguang Zhang; Wen-Xiong Zhang; Jing Zhao; Zhenfeng Xi","Cleavage and Reorganization of Zr-C/Si-C Bonds Leading to Zr/Si-N Organometallic and Heterocyclic Compounds","Journal of the American Chemical Society","2010","132","","14042","14045","10.1021/ja1074932","","","0.71073","MoKα","","0.0812","0.075","","","0.1269","0.1295","","","","","","1.242","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103248","40.229","0.008","10.358","0.002","18.927","0.004","90","","99.51","0.03","90","","7778","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H49 N O Si Zr -","- C41 H49 N O Si Zr -","- C328 H392 N8 O8 Si8 Zr8 -","8","1","","Shaoguang Zhang; Wen-Xiong Zhang; Jing Zhao; Zhenfeng Xi","Cleavage and Reorganization of Zr-C/Si-C Bonds Leading to Zr/Si-N Organometallic and Heterocyclic Compounds","Journal of the American Chemical Society","2010","132","","14042","14045","10.1021/ja1074932","","","0.71073","MoKα","","0.1951","0.0701","","","0.0917","0.0968","","","","","","0.981","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103249","8.833","0.004","11.184","0.005","29.474","0.012","90","","92.658","0.005","90","","2909","2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H43 N O2 Si -","- C30 H43 N O2 Si -","- C120 H172 N4 O8 Si4 -","4","1","","Shaoguang Zhang; Wen-Xiong Zhang; Jing Zhao; Zhenfeng Xi","Cleavage and Reorganization of Zr-C/Si-C Bonds Leading to Zr/Si-N Organometallic and Heterocyclic Compounds","Journal of the American Chemical Society","2010","132","","14042","14045","10.1021/ja1074932","","","0.71073","MoKα","","0.0761","0.0729","","","0.1695","0.1717","","","","","","1.267","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103250","13.699","0.003","17.736","0.004","16.404","0.003","90","","103.28","0.03","90","","3879","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H53 N3 Si Zr -","- C42 H53 N3 Si Zr -","- C168 H212 N12 Si4 Zr4 -","4","1","","Shaoguang Zhang; Wen-Xiong Zhang; Jing Zhao; Zhenfeng Xi","Cleavage and Reorganization of Zr-C/Si-C Bonds Leading to Zr/Si-N Organometallic and Heterocyclic Compounds","Journal of the American Chemical Society","2010","132","","14042","14045","10.1021/ja1074932","","","0.71073","MoKα","","0.2475","0.0632","","","0.1298","0.2109","","","","","","0.845","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103251","10.347","0.002","11.153","0.002","18.713","0.004","97.37","0.03","92.83","0.03","109","0.03","2015.4","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H56 N Si Zr -","- C44 H56 N Si Zr -","- C88 H112 N2 Si2 Zr2 -","2","1","","Shaoguang Zhang; Wen-Xiong Zhang; Jing Zhao; Zhenfeng Xi","Cleavage and Reorganization of Zr-C/Si-C Bonds Leading to Zr/Si-N Organometallic and Heterocyclic Compounds","Journal of the American Chemical Society","2010","132","","14042","14045","10.1021/ja1074932","","","0.71073","MoKα","","0.0826","0.0476","","","0.0953","0.1001","","","","","","0.996","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103252","14.593","0.003","8.5806","0.0017","17.839","0.004","90","","91.89","0.03","90","","2232.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 N Si -","- C25 H29 N Si -","- C100 H116 N4 Si4 -","4","1","","Shaoguang Zhang; Wen-Xiong Zhang; Jing Zhao; Zhenfeng Xi","Cleavage and Reorganization of Zr-C/Si-C Bonds Leading to Zr/Si-N Organometallic and Heterocyclic Compounds","Journal of the American Chemical Society","2010","132","","14042","14045","10.1021/ja1074932","","","0.71073","MoKα","","0.1413","0.0469","","","0.0867","0.1211","","","","","","0.999","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103253","9.5247","0.0012","18.891","0.002","19.036","0.002","90","","90","","90","","3425.2","0.7","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Cl N O Si Zr -","- C40 H40 Cl N O Si Zr -","- C160 H160 Cl4 N4 O4 Si4 Zr4 -","4","1","","Shaoguang Zhang; Wen-Xiong Zhang; Jing Zhao; Zhenfeng Xi","Cleavage and Reorganization of Zr-C/Si-C Bonds Leading to Zr/Si-N Organometallic and Heterocyclic Compounds","Journal of the American Chemical Society","2010","132","","14042","14045","10.1021/ja1074932","","","0.71073","MoKα","","0.0568","0.0533","","","0.0989","0.1007","","","","","","1.134","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103254","15.934","0.003","15.239","0.003","15.016","0.003","90","","94.65","0.03","90","","3634.2","1.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 N2 Si Zr -","- C42 H34 N2 Si Zr -","- C168 H136 N8 Si4 Zr4 -","4","1","","Shaoguang Zhang; Wen-Xiong Zhang; Jing Zhao; Zhenfeng Xi","Cleavage and Reorganization of Zr-C/Si-C Bonds Leading to Zr/Si-N Organometallic and Heterocyclic Compounds","Journal of the American Chemical Society","2010","132","","14042","14045","10.1021/ja1074932","","","0.71073","MoKα","","0.3024","0.072","","","0.176","0.24","","","","","","0.759","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103255","11.861","0.002","19.126","0.004","18.467","0.004","90","","94.46","0.03","90","","4176.6","1.5","143","2","143","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H61 Ce Cl N4 O Si6 -","- C26 H61 Ce Cl N4 O Si6 -","- C104 H244 Ce4 Cl4 N16 O4 Si24 -","4","1","","Peter Dröse; Alan R. Crozier; Samira Lashkari; Jochen Gottfriedsen; Steffen Blaurock; Cristian G. Hrib; Cäcilia Maichle-Mössmer; Christoph Schädle; Reiner Anwander; Frank T. Edelmann","Facile Access to Tetravalent Cerium Compounds: One-Electron Oxidation Using Iodine(III) Reagents","Journal of the American Chemical Society","2010","132","","14046","14047","10.1021/ja107494h","","","0.71073","MoKα","","0.0381","0.0319","","","0.0722","0.0744","","","","","","1.131","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103256","11.153","0.002","12.925","0.003","19.583","0.004","98.76","0.03","90.93","0.03","104.79","0.03","2693.1","1.1","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H75 Ce Cl N6 O3 Si6 -","- C42 H75 Ce Cl N6 O3 Si6 -","- C84 H150 Ce2 Cl2 N12 O6 Si12 -","2","1","","Peter Dröse; Alan R. Crozier; Samira Lashkari; Jochen Gottfriedsen; Steffen Blaurock; Cristian G. Hrib; Cäcilia Maichle-Mössmer; Christoph Schädle; Reiner Anwander; Frank T. Edelmann","Facile Access to Tetravalent Cerium Compounds: One-Electron Oxidation Using Iodine(III) Reagents","Journal of the American Chemical Society","2010","132","","14046","14047","10.1021/ja107494h","","","0.71073","MoKα","","0.0397","0.0299","","","0.0688","0.0704","","","","","","0.906","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103257","8.3124","0.0003","14.3667","0.0004","13.382","0.0005","90","","91.514","0.003","90","","1597.54","0.09","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18.5 H18.5 Ce Cl -","- C18.5 H18.5 Ce Cl -","- C74 H74 Ce4 Cl4 -","4","1","","Peter Dröse; Alan R. Crozier; Samira Lashkari; Jochen Gottfriedsen; Steffen Blaurock; Cristian G. Hrib; Cäcilia Maichle-Mössmer; Christoph Schädle; Reiner Anwander; Frank T. Edelmann","Facile Access to Tetravalent Cerium Compounds: One-Electron Oxidation Using Iodine(III) Reagents","Journal of the American Chemical Society","2010","132","","14046","14047","10.1021/ja107494h","","","0.71073","MoKα","","0.0327","0.027","","","0.0518","0.0535","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103258","4.873","0.006","13.133","0.016","13.3","0.016","90","","100.56","","90","","836.7","1.8","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H11 Ce O9 -","- C17 H11 Ce O9 -","- C34 H22 Ce2 O18 -","2","1","","Dongbin Dang; Pengyan Wu; Cheng He; Zhong Xie; Chunying Duan","Homochiral Metal-Organic Frameworks for Heterogeneous Asymmetric Catalysis","Journal of the American Chemical Society","2010","132","","14321","14323","10.1021/ja101208s","","","0.71073","MoKα","","0.1742","0.0777","","","0.1412","0.1723","","","","","","1.084","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103259","4.88","0.009","13.11","0.03","13.29","0.02","90","","100.58","","90","","836","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H11 Ce N0 O9 -","- C17 H11 Ce O9 -","- C34 H22 Ce2 O18 -","2","1","","Dongbin Dang; Pengyan Wu; Cheng He; Zhong Xie; Chunying Duan","Homochiral Metal-Organic Frameworks for Heterogeneous Asymmetric Catalysis","Journal of the American Chemical Society","2010","132","","14321","14323","10.1021/ja101208s","","","0.71073","MoKα","","0.1479","0.0822","","","0.2054","0.2517","","","","","","0.98","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103260","8.664","0.004","26.844","0.013","15.377","0.007","90","","93.593","0.007","90","","3569","3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H64 Cd2 N6 O16 -","- C70 H58 Cd2 N6 O16 -","- C140 H116 Cd4 N12 O32 -","2","1","","Dongbin Dang; Pengyan Wu; Cheng He; Zhong Xie; Chunying Duan","Homochiral Metal-Organic Frameworks for Heterogeneous Asymmetric Catalysis","Journal of the American Chemical Society","2010","132","","14321","14323","10.1021/ja101208s","","","0.71073","MoKα","","0.3184","0.0759","","","0.1565","0.2231","","","","","","0.975","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103261","12.4649","0.0005","12.4649","0.0005","47.8243","0.0016","90","","90","","90","","7430.6","0.5","200","2","200","2","","","","","","","","2","I 41 c d","I 4bw -2c","110","Ph4-NDPL","","","- C60 H34 -","- C60 H34 -","- C480 H272 -","8","0.5","","Akihiro Shimizu; Takashi Kubo; Mikio Uruichi; Kyuya Yakushi; Masayoshi Nakano; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Yasukazu Hirao; Kouzou Matsumoto; Hiroyuki Kurata; Yasushi Morita; Kazuhiro Nakasuji","Alternating Covalent Bonding Interactions in a One-Dimensional Chain of a Phenalenyl-Based Singlet Biradical Molecule Having Kekulé Structures","Journal of the American Chemical Society","2010","132","","14421","14428","10.1021/ja1037287","","","0.71075","MoKα","","0.1068","0.0666","","","0.1595","0.183","","","","","","1.055","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103262","14.319","0.002","6.8536","0.0008","32.694","0.004","90","","93.782","0.002","90","","3201.5","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70.5 H65.5 N12.5 O5.5 -","- C60 H36 N10 -","- C120 H72 N20 -","2","0.5","","Wenbin Yang; Alex Greenaway; Xiang Lin; Ryotaro Matsuda; Alexander J. Blake; Claire Wilson; William Lewis; Peter Hubberstey; Susumu Kitagawa; Neil R. Champness; Martin Schröder","Exceptional Thermal Stability in a Supramolecular Organic Framework: Porosity and Gas Storage","Journal of the American Chemical Society","2010","132","","14457","14469","10.1021/ja1042935","","","0.71073","MoKα","","0.152","0.0783","","","0.188","0.209","","","","","","0.85","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103263","8.372","0.0014","12.087","0.002","16.072","0.003","87.336","0.003","88.089","0.003","79.577","0.003","1597.3","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H68 N12 O2 -","- C76 H68 N12 O2 -","- C76 H68 N12 O2 -","1","0.5","","Wenbin Yang; Alex Greenaway; Xiang Lin; Ryotaro Matsuda; Alexander J. Blake; Claire Wilson; William Lewis; Peter Hubberstey; Susumu Kitagawa; Neil R. Champness; Martin Schröder","Exceptional Thermal Stability in a Supramolecular Organic Framework: Porosity and Gas Storage","Journal of the American Chemical Society","2010","132","","14457","14469","10.1021/ja1042935","","","0.71073","MoKα","","0.0798","0.0499","","","0.127","0.149","","","","","","1.03","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103264","8.3803","0.0009","12.1013","0.0012","16.1017","0.0016","87.352","0.002","88.209","0.002","79.709","0.002","1604.5","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H68 N12 O2 -","- C76 H68 N12 O2 -","- C76 H68 N12 O2 -","1","0.5","","Wenbin Yang; Alex Greenaway; Xiang Lin; Ryotaro Matsuda; Alexander J. Blake; Claire Wilson; William Lewis; Peter Hubberstey; Susumu Kitagawa; Neil R. Champness; Martin Schröder","Exceptional Thermal Stability in a Supramolecular Organic Framework: Porosity and Gas Storage","Journal of the American Chemical Society","2010","132","","14457","14469","10.1021/ja1042935","","","0.71073","MoKα","","0.0634","0.0419","","","0.105","0.114","","","","","","1.02","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103265","9.0709","0.0007","10.9421","0.0008","12.7964","0.001","93.573","0.001","99.335","0.001","104.496","0.001","1206.32","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H54 N12 O6 -","- C50 H54 N12 O6 -","- C50 H54 N12 O6 -","1","0.5","","Wenbin Yang; Alex Greenaway; Xiang Lin; Ryotaro Matsuda; Alexander J. Blake; Claire Wilson; William Lewis; Peter Hubberstey; Susumu Kitagawa; Neil R. Champness; Martin Schröder","Exceptional Thermal Stability in a Supramolecular Organic Framework: Porosity and Gas Storage","Journal of the American Chemical Society","2010","132","","14457","14469","10.1021/ja1042935","","","0.71073","MoKα","","0.0589","0.0487","","","0.113","0.119","","","","","","1.04","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103266","10.617","0.003","13.214","0.004","11.835","0.003","90","","91.952","0.006","90","","1659.4","0.8","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 N10 -","- C40 H24 N10 -","- C80 H48 N20 -","2","0.5","","Wenbin Yang; Alex Greenaway; Xiang Lin; Ryotaro Matsuda; Alexander J. Blake; Claire Wilson; William Lewis; Peter Hubberstey; Susumu Kitagawa; Neil R. Champness; Martin Schröder","Exceptional Thermal Stability in a Supramolecular Organic Framework: Porosity and Gas Storage","Journal of the American Chemical Society","2010","132","","14457","14469","10.1021/ja1042935","","","0.71073","MoKα","","0.135","0.082","","","0.162","0.18","","","","","","1.01","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103267","7.7384","0.0013","8.4662","0.0014","14.83","0.002","74.005","0.002","83.219","0.003","77.332","0.002","909.5","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N3 O2 Pd -","- C22 H17 N3 O2 Pd -","- C44 H34 N6 O4 Pd2 -","2","1","","David C. Powers; Daphne Y. Xiao; Matthias A. L. Geibel; Tobias Ritter","On the Mechanism of Palladium-Catalyzed Aromatic C-H Oxidation","Journal of the American Chemical Society","2010","132","","14530","14536","10.1021/ja1054274","","","0.71073","MoKα","","0.0299","0.0248","","","0.0562","0.0592","","","","","","1.062","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103268","11.2731","0.0019","12.654","0.002","12.768","0.002","78.801","0.002","67.287","0.002","88.854","0.003","1645.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H26 Cl2 N4 O4 Pd2 -","- C35 H26 Cl2 N4 O4 Pd2 -","- C70 H52 Cl4 N8 O8 Pd4 -","2","1","","David C. Powers; Daphne Y. Xiao; Matthias A. L. Geibel; Tobias Ritter","On the Mechanism of Palladium-Catalyzed Aromatic C-H Oxidation","Journal of the American Chemical Society","2010","132","","14530","14536","10.1021/ja1054274","","","0.71073","MoKα","","0.0308","0.0268","","","0.0717","0.0739","","","","","","1.069","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103269","17.8217","0.0013","6.837","0.0005","26.0357","0.0016","90","","124.977","0.004","90","","2599.4","0.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C61 H49 Cl2 N2 Pd -","- C61 H49 Cl2 N2 Pd -","- C122 H98 Cl4 N4 Pd2 -","2","0.5","","Revital Kaminker; Leila Motiei; Antonino Gulino; Ignazio Fragalà; Linda J. W. Shimon; Guennadi Evmenenko; Pulak Dutta; Mark A. Iron; Milko E. van der Boom","Stepwise Assembly of Coordination-Based Metal-Organic Networks","Journal of the American Chemical Society","2010","132","","14554","14561","10.1021/ja105518n","","","0.71073","MoKα","","0.0985","0.0589","","","0.1419","0.1663","","","","","","1.033","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103270","9.4593","0.0006","8.7835","0.0005","16.0818","0.0009","90","","97.199","0.002","90","","1325.64","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetradiethylether difluoro ditetrafluoroborate dicopper(II)","","- C16 H40 B2 Cu2 F10 O4 -","- C16 H40 B2 Cu2 F10 O4 -","- C32 H80 B4 Cu4 F20 O8 -","2","0.5","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Structural Characterization of a Copper Nitrosyl Complex with a {CuNO}10 Configuration","Journal of the American Chemical Society","2010","132","","14336","14337","10.1021/ja105930b","","","0.71073","MoKα","","0.0484","0.0431","","","0.1177","0.123","","","","","","1.073","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103271","8.3135","0.0015","11.698","0.002","11.779","0.002","95.151","0.003","104.839","0.003","91.269","0.003","1101.6","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","pentanitromethane copper (II) hexafluorophosphate","","- C5 H15 Cu F12 N5 O10 P2 -","- C5 H15 Cu F11.98 N5 O10 P2 -","- C10 H30 Cu2 F23.96 N10 O20 P4 -","2","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Structural Characterization of a Copper Nitrosyl Complex with a {CuNO}10 Configuration","Journal of the American Chemical Society","2010","132","","14336","14337","10.1021/ja105930b","","","0.71073","MoKα","","0.0973","0.0693","","","0.1606","0.1702","","","","","","1.713","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103272","12.3815","0.0009","14.8062","0.001","28.388","0.002","90","","90","","90","","5204.2","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","pentanitromethane nitrosyl copper (II) hexafluorophosphate","","- C6 H18 Cu F12 N7 O13 P2 -","- C6 H18 Cu F12 N7 O13 P2 -","- C48 H144 Cu8 F96 N56 O104 P16 -","8","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Structural Characterization of a Copper Nitrosyl Complex with a {CuNO}10 Configuration","Journal of the American Chemical Society","2010","132","","14336","14337","10.1021/ja105930b","","","0.71073","MoKα","","0.1014","0.0515","","","0.1281","0.1582","","","","","","0.988","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103273","8.6563","0.0009","15.9398","0.0017","14.8137","0.0016","90","","98.661","0.002","90","","2020.7","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(mesitylene) copper (I) hexafluorophosphate","","- C18 H24 Cu F6 P -","- C18 H24 Cu F6 P -","- C72 H96 Cu4 F24 P4 -","4","0.5","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Structural Characterization of a Copper Nitrosyl Complex with a {CuNO}10 Configuration","Journal of the American Chemical Society","2010","132","","14336","14337","10.1021/ja105930b","","","0.71073","MoKα","","0.0757","0.0555","","","0.1518","0.1649","","","","","","1.05","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103274","13.7393","0.0003","18.4558","0.0004","17.0955","0.0004","90","","90.2253","0.0017","90","","4334.87","0.17","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H66 I N2 O P Pd -","- C46 H66 I N2 O P Pd -","- C184 H264 I4 N8 O4 P4 Pd4 -","4","1","","Xiao-Feng Wu; Helfried Neumann; Anke Spannenberg; Thomas Schulz; Haijun Jiao; Matthias Beller","Development of a General Palladium-Catalyzed Carbonylative Heck Reaction of Aryl Halides","Journal of the American Chemical Society","2010","132","","14596","14602","10.1021/ja1059922","","","0.71073","MoKα","","0.0556","0.0301","","","0.0542","0.0577","","","","","","0.818","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103275","12.7752","0.0002","14.9793","0.0003","23.3956","0.0004","90","","102.392","0.0014","90","","4372.76","0.14","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46.2 H65.3 I1.1 N2 O1.9 P Pd -","- C46.2 H65.3 I1.1 N2 O1.9 P Pd -","- C184.8 H261.2 I4.4 N8 O7.6 P4 Pd4 -","4","1","","Xiao-Feng Wu; Helfried Neumann; Anke Spannenberg; Thomas Schulz; Haijun Jiao; Matthias Beller","Development of a General Palladium-Catalyzed Carbonylative Heck Reaction of Aryl Halides","Journal of the American Chemical Society","2010","132","","14596","14602","10.1021/ja1059922","","","0.71073","MoKα","","0.0476","0.0255","","","0.0474","0.0501","","","","","","0.813","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103276","7.2548","0.0015","7.5417","0.0016","11.167","0.003","98.349","0.004","98.643","0.004","118.152","0.003","516","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 N6 O6 S4 -","- C12 H24 N6 O6 S4 -","- C12 H24 N6 O6 S4 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0741","0.0668","","","0.1892","0.1956","","","","","","1.149","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103277","7.6803","0.0005","20.1103","0.0013","11.9293","0.0008","90","","92.019","0.001","90","","1841.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N6 O6 S8 -","- C30 H30 N6 O6 S8 -","- C60 H60 N12 O12 S16 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.074","0.0704","","","0.2126","0.217","","","","","","1.057","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103278","7.2917","0.0004","12.1492","0.0007","15.2108","0.0009","68.059","0.001","80.634","0.001","86.118","0.001","1233.2","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N6 O6 S4 -","- C20 H24 N6 O6 S4 -","- C40 H48 N12 O12 S8 -","2","1","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0502","0.0475","","","0.1512","0.1549","","","","","","1.104","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103279","7.1188","0.0005","12.3016","0.0009","13.0373","0.0009","81.629","0.004","75.62","0.003","79.022","0.004","1079.89","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 N12 O12 S6 -","- C32 H42 N12 O12 S6 -","- C32 H42 N12 O12 S6 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0503","0.044","","","0.1236","0.1296","","","","","","1.045","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103280","7.5783","0.0018","11.932","0.003","24.791","0.006","90","","90.963","0.004","90","","2241.4","0.9","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 N6 O6 S8 -","- C38 H38 N6 O6 S8 -","- C76 H76 N12 O12 S16 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0509","0.0427","","","0.1107","0.117","","","","","","1.119","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103281","6.1289","0.0003","7.1528","0.0004","15.7075","0.0008","93.882","0.003","96.13","0.003","93.115","0.003","681.77","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N8 O6 S4 -","- C22 H26 N8 O6 S4 -","- C22 H26 N8 O6 S4 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0436","0.0378","","","0.1029","0.1071","","","","","","1.044","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103282","6.1495","0.0005","7.2725","0.0006","16.2688","0.0014","96.933","0.005","91.913","0.005","93.743","0.005","720.09","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 N6 O6 S4 -","- C24 H30 N6 O6 S4 -","- C24 H30 N6 O6 S4 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0387","0.0347","","","0.0899","0.0917","","","","","","1.099","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103283","6.1517","0.0004","7.2099","0.0005","16.0369","0.001","94.01","0.004","96.867","0.004","93.349","0.003","702.85","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N6 O6 S4 -","- C24 H28 N6 O6 S4 -","- C24 H28 N6 O6 S4 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0339","0.0304","","","0.0769","0.0793","","","","","","1.04","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103284","7.1426","0.0009","12.7521","0.0015","13.1674","0.0016","91.845","0.002","104.765","0.002","104.145","0.002","1118.8","0.2","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H46 N12 O12 S4 -","- C36 H46 N12 O12 S4 -","- C36 H46 N12 O12 S4 -","1","1","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0463","0.0374","","","0.1002","0.1095","","","","","","1.04","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103285","6.1627","0.0004","7.2125","0.0005","16.0535","0.0011","95.263","0.001","94.758","0.001","94.611","0.001","705.31","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 N8 O6 S2 -","- C26 H30 N8 O6 S2 -","- C26 H30 N8 O6 S2 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.033","0.0319","","","0.0885","0.0899","","","","","","1.055","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103286","7.1367","0.0006","12.4838","0.001","12.6842","0.0011","83.869","0.002","77.676","0.002","85.366","0.002","1095.76","0.16","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H44 N12 O12 S6 -","- C34 H44 N12 O12 S6 -","- C34 H44 N12 O12 S6 -","1","1","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.4428","synchrotron","","0.08","0.05","","","0.1327","0.1557","","","","","","1.187","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103287","7.573","0.002","11.721","0.004","28.831","0.009","90","","91.22","0.006","90","","2558.5","1.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 N8 O6 S8 -","- C44 H44 N8 O6 S8 -","- C88 H88 N16 O12 S16 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0829","0.0685","","","0.1877","0.1961","","","","","","1.028","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103288","6.0857","0.0008","7.2198","0.001","18.138","0.003","94.606","0.002","99.461","0.002","91.746","0.002","782.8","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N6 O8 S4 -","- C26 H32 N6 O8 S4 -","- C26 H32 N6 O8 S4 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0519","0.0376","","","0.0895","0.1058","","","","","","1.069","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103289","7.1097","0.0005","12.6139","0.001","13.8091","0.0011","110.979","0.001","101.82","0.001","93.951","0.001","1118.01","0.15","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H46 N14 O12 S4 -","- C36 H46 N14 O12 S4 -","- C36 H46 N14 O12 S4 -","1","1","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0407","0.0308","","","0.0911","0.1005","","","","","","1.052","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103290","7.575","0.0011","29.22","0.004","11.6324","0.0018","90","","90.103","0.003","90","","2574.7","0.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H50 N14 O6 S2 -","- C50 H50 N14 O6 S2 -","- C100 H100 N28 O12 S4 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0318","0.029","","","0.0792","0.0825","","","","","","1.039","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103291","7.6405","0.0004","30.4156","0.0018","11.4061","0.0006","90","","90.726","0.001","90","","2650.5","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H54 N12 O6 S2 -","- C52 H54 N12 O6 S2 -","- C104 H108 N24 O12 S4 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0579","0.0438","","","0.1059","0.1152","","","","","","1.026","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103292","7.6142","0.0005","29.502","0.002","11.6308","0.0008","90","","90.1","","90","","2612.7","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 N12 O6 S2 -","- C52 H52 N12 O6 S2 -","- C104 H104 N24 O12 S4 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0789","0.0441","","","0.0911","0.1051","","","","","","1.063","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103293","6.1014","0.0004","7.3115","0.0005","17.9047","0.0013","91.168","0.001","97.062","0.001","95.911","0.001","788.02","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 N8 O8 S2 -","- C28 H34 N8 O8 S2 -","- C28 H34 N8 O8 S2 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0383","0.0346","","","0.1004","0.1099","","","","","","1.019","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103294","7.1176","0.0005","12.5978","0.0008","12.6173","0.0008","85.85","0.001","87.616","0.001","78.77","0.001","1106.34","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 N12 O12 S4 -","- C38 H48 N12 O12 S4 -","- C38 H48 N12 O12 S4 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0384","0.0324","","","0.1005","0.1059","","","","","","1.043","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103295","7.6038","0.0005","30.2564","0.0019","11.4283","0.0007","90","","90.043","0.001","90","","2629.2","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 N8 O6 S2 -","- C56 H56 N8 O6 S2 -","- C112 H112 N16 O12 S4 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0439","0.0368","","","0.0919","0.0966","","","","","","1.037","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103296","7.6384","0.0005","30.908","0.002","11.3694","0.0007","90","","90.739","0.001","90","","2684","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 N6 O6 S2 -","- C58 H60 N6 O6 S2 -","- C116 H120 N12 O12 S4 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0598","0.0407","","","0.0905","0.0986","","","","","","1.066","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103297","6.096","0.0004","7.2875","0.0004","18.363","0.0011","97.193","0.001","98.178","0.001","92.011","0.001","799.96","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 N6 O8 S2 -","- C30 H36 N6 O8 S2 -","- C30 H36 N6 O8 S2 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0446","0.0333","","","0.0842","0.0907","","","","","","1.038","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103298","7.1652","0.0005","12.5807","0.001","25.0454","0.0019","94.26","0.001","91.019","0.001","91.299","0.001","2250.4","0.3","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H50 N12 O12 S4 -","- C38 H50 N12 O12 S4 -","- C76 H100 N24 O24 S8 -","2","2","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0695","0.0459","","","0.1248","0.1433","","","","","","1.045","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103299","7.7072","0.0006","29.84","0.002","11.4574","0.0009","90","","90.748","0.001","90","","2634.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H62 N8 O6 S2 -","- C56 H62 N8 O6 S2 -","- C112 H124 N16 O12 S4 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0358","0.032","","","0.0818","0.0847","","","","","","1.044","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103300","7.7503","0.0006","30.182","0.002","11.5482","0.0009","90","","90.583","0.002","90","","2701.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H66 N6 O6 S2 -","- C58 H66 N6 O6 S2 -","- C116 H132 N12 O12 S4 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0679","0.0435","","","0.096","0.1071","","","","","","1.028","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103301","7.7596","0.0005","30.2152","0.0019","11.513","0.0007","90","","90.739","0.001","90","","2699.1","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H64 N6 O6 S2 -","- C58 H64 N6 O6 S2 -","- C116 H128 N12 O12 S4 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0549","0.0377","","","0.0872","0.0957","","","","","","1.029","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103302","6.1532","0.0008","7.2222","0.001","18.283","0.002","95.493","0.002","98.852","0.002","92.424","0.002","797.78","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 N6 O8 S2 -","- C30 H38 N6 O8 S2 -","- C30 H38 N6 O8 S2 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0353","0.0307","","","0.0889","0.1006","","","","","","1.111","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103303","6.2754","0.0013","7.188","0.0015","15.396","0.003","91.838","0.003","95.848","0.003","96.074","0.003","686.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N8 O6 S6 -","- C20 H24 N8 O6 S6 -","- C20 H24 N8 O6 S6 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0695","0.0584","","","0.1688","0.1765","","","","","","1.186","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103304","34.32","0.004","8.1261","0.0008","10.1674","0.001","90","","99.663","0.003","90","","2795.3","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H26 N6 O6 S6 -","- C22 H26 N6 O6 S6 -","- C88 H104 N24 O24 S24 -","4","1","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0277","0.0259","","","0.069","0.0709","","","","","","1.054","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103305","7.6167","0.0012","31.632","0.005","11.2812","0.0017","90","","90.604","0.002","90","","2717.8","0.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 N8 O6 S11 -","- C50 H44 N8 O6 S11 -","- C100 H88 N16 O12 S22 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0516","0.0432","","","0.113","0.119","","","","","","1.051","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103306","12.3178","0.0007","7.4997","0.0004","38.947","0.002","90","","96.277","0.002","90","","3576.3","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 N6 O8 S5 -","- C30 H36 N6 O8 S5 -","- C120 H144 N24 O32 S20 -","4","1","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.1203","0.0872","","","0.1947","0.2108","","","","","","1.076","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103307","9.2497","0.0002","12.6393","0.0003","16.3642","0.0004","90","","100.554","0.001","90","","1880.77","0.08","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C41 H52 Cl Co N2 O2 -","- C41 H52 Cl Co N2 O2 -","- C82 H104 Cl2 Co2 N4 O4 -","2","1","","Aubrey L. Smith; Kenneth I. Hardcastle; Jake D. Soper","Redox-Active Ligand-Mediated Oxidative Addition and Reductive Elimination at Square Planar Cobalt(III): Multielectron Reactions for Cross-Coupling","Journal of the American Chemical Society","2010","132","","14358","14360","10.1021/ja106212w","","","0.71073","MoKα","","0.0538","0.0471","","","0.1105","0.1154","","","","","","1.055","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103308","13.036","0.014","13.449","0.014","13.553","0.014","67.671","0.015","85.679","0.016","64.31","0.015","1969","4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H55 Co N2 O2 -","- C42 H55 Co N2 O2 -","- C84 H110 Co2 N4 O4 -","2","1","","Aubrey L. Smith; Kenneth I. Hardcastle; Jake D. Soper","Redox-Active Ligand-Mediated Oxidative Addition and Reductive Elimination at Square Planar Cobalt(III): Multielectron Reactions for Cross-Coupling","Journal of the American Chemical Society","2010","132","","14358","14360","10.1021/ja106212w","","","0.71073","MoKα","","0.104","0.0558","","","0.1084","0.1266","","","","","","1.004","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103309","13.1141","0.0008","23.6161","0.0014","20.7503","0.0012","90","","106.324","0.001","90","","6167.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C131 H180 Li4 N8 O4 -","- C131 H172 Li4 N8 O4 -","- C262 H344 Li8 N16 O8 -","2","0.5","","Yuzhong Wang; Yaoming Xie; Mariham Y. Abraham; Pingrong Wei; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","A Viable Anionic N-Heterocyclic Dicarbene","Journal of the American Chemical Society","2010","132","","14370","14372","10.1021/ja106631r","","","0.71073","MoKα","","0.1671","0.0736","","","0.1816","0.2249","","","","","","1.084","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103310","10.3408","0.0009","10.4182","0.0009","19.7667","0.0018","86.39","0.001","79.507","0.001","72.255","0.001","1994.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H60 Al Li N2 O2 -","- C38 H60 Al Li N2 O2 -","- C76 H120 Al2 Li2 N4 O4 -","2","1","","Yuzhong Wang; Yaoming Xie; Mariham Y. Abraham; Pingrong Wei; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","A Viable Anionic N-Heterocyclic Dicarbene","Journal of the American Chemical Society","2010","132","","14370","14372","10.1021/ja106631r","","","0.71073","MoKα","","0.1758","0.0618","","","0.1251","0.166","","","","","","1.004","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103311","11.7165","0.0007","17.9698","0.0011","19.7863","0.0012","90","","101.539","0.001","90","","4081.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H66 B Li N2 O2 -","- C41 H66 B Li N2 O2 -","- C164 H264 B4 Li4 N8 O8 -","4","1","","Yuzhong Wang; Yaoming Xie; Mariham Y. Abraham; Pingrong Wei; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","A Viable Anionic N-Heterocyclic Dicarbene","Journal of the American Chemical Society","2010","132","","14370","14372","10.1021/ja106631r","","","0.71073","MoKα","","0.0999","0.0551","","","0.1386","0.1647","","","","","","1.005","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103312","13.43","0.002","20.533","0.003","34.121","0.005","90","","90","","90","","9409","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H74 B Li N4 -","- C46 H74 B Li N4 -","- C368 H592 B8 Li8 N32 -","8","1","","Yuzhong Wang; Yaoming Xie; Mariham Y. Abraham; Pingrong Wei; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","A Viable Anionic N-Heterocyclic Dicarbene","Journal of the American Chemical Society","2010","132","","14370","14372","10.1021/ja106631r","","","0.71073","MoKα","","0.2127","0.0703","","","0.1504","0.2086","","","","","","1.001","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103313","9.717","0.001","9.211","0.0009","6.035","0.0005","90","","90","","90","","540.15","0.09","150","2","150","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- C5 H4 O4 -","- C5 H4 O4 -","- C20 H16 O16 -","4","0.25","","James C. Griffith; Kevin M. Jones; Sylvain Picon; Michael J. Rawling; Benson M. Kariuki; Matthew Campbell; Nicholas C. O. Tomkinson","Alkene Syn Dihydroxylation with Malonoyl Peroxides","Journal of the American Chemical Society","2010","132","","14409","14411","10.1021/ja1066674","","","0.71073","MoKα","","0.039","0.0324","","","0.0807","0.0851","","","","","","1.105","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103314","9.448","0.0007","6.465","0.0005","11.59","0.0011","90","","95.283","0.003","90","","704.93","0.1","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 O4 -","- C7 H8 O4 -","- C28 H32 O16 -","4","1","","James C. Griffith; Kevin M. Jones; Sylvain Picon; Michael J. Rawling; Benson M. Kariuki; Matthew Campbell; Nicholas C. O. Tomkinson","Alkene Syn Dihydroxylation with Malonoyl Peroxides","Journal of the American Chemical Society","2010","132","","14409","14411","10.1021/ja1066674","","","0.71073","MoKα","","0.1027","0.0602","","","0.1279","0.1487","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103315","6.492","0.0007","6.138","0.0006","7.61","0.0008","90","","91.908","0.004","90","","303.07","0.05","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C6 H6 O4 -","- C6 H6 O4 -","- C12 H12 O8 -","2","0.5","","James C. Griffith; Kevin M. Jones; Sylvain Picon; Michael J. Rawling; Benson M. Kariuki; Matthew Campbell; Nicholas C. O. Tomkinson","Alkene Syn Dihydroxylation with Malonoyl Peroxides","Journal of the American Chemical Society","2010","132","","14409","14411","10.1021/ja1066674","","","0.71073","MoKα","","0.0541","0.0465","","","0.1095","0.1127","","","","","","1.069","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103316","10.99","0.002","12.734","0.002","18.542","0.002","90","","101.8","0.02","90","","2540.1","0.7","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","hexacarbonyldi-μ-chloro(μ-4,5-bis(trimethylsilyl)pyridazine-κN1:κN2) dirhenium","","- C16 H20 Cl2 N2 O6 Re2 Si2 -","- C16 H20 Cl2 N2 O6 Re2 Si2 -","- C64 H80 Cl8 N8 O24 Re8 Si8 -","4","0.5","","Elsa Quartapelle Procopio; Matteo Mauro; Monica Panigati; Daniela Donghi; Pierluigi Mercandelli; Angelo Sironi; Giuseppe D'Alfonso; Luisa De Cola","Highly Emitting Concomitant Polymorphic Crystals of a Dinuclear Rhenium Complex","Journal of the American Chemical Society","2010","132","","14397","14399","10.1021/ja106772v","","","0.71073","MoKα","","0.0239","0.0194","","","0.0348","0.0359","","","","","","1.052","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103317","21.509","0.002","6.355","0.002","36.997","0.002","90","","90","","90","","5057.1","1.7","295","2","295","2","","","","","","","","7","P n a 21","P 2c -2n","33","","hexacarbonyldi-μ-chloro(μ-4,5-bis(trimethylsilyl)pyridazine-κN1:κN2) dirhenium","","- C16 H20 Cl2 N2 O6 Re2 Si2 -","- C16 H20 Cl2 N2 O6 Re2 Si2 -","- C128 H160 Cl16 N16 O48 Re16 Si16 -","8","2","","Elsa Quartapelle Procopio; Matteo Mauro; Monica Panigati; Daniela Donghi; Pierluigi Mercandelli; Angelo Sironi; Giuseppe D'Alfonso; Luisa De Cola","Highly Emitting Concomitant Polymorphic Crystals of a Dinuclear Rhenium Complex","Journal of the American Chemical Society","2010","132","","14397","14399","10.1021/ja106772v","","","0.71073","MoKα","","0.04","0.0344","","","0.0864","0.0917","","","","","","1.066","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103318","9.84102","0.00009","9.25426","0.00006","10.86112","0.00011","90","","108.426","0.001","90","","938.428","0.015","100","2","100","2","","","","","","","Graham Pattison","4","P 1 21 1","P 2yb","4","","","","- C24 H21 F N2 -","- C24 H21 F N2 -","- C48 H42 F2 N4 -","2","1","","Graham Pattison; Guillaume Piraux; Hon Wai Lam","Enantioselective Rhodium-Catalyzed Addition of Arylboronic Acids to Alkenylheteroarenes","Journal of the American Chemical Society","2010","132","","14373","14375","10.1021/ja106809p","","","1.5418","CuKα","","0.036","0.0352","","","0.0917","0.0925","","","","","","1.02","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103319","7.7828","0.0001","19.4165","0.0004","24.7658","0.0005","90","","90","","90","","3742.48","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H34 N6 O7 S7.77 -","- C33 H34 N6 O7 S7.771 -","- C132 H136 N24 O28 S31.084 -","4","1","","Justin Kim; Mohammad Movassaghi","General Approach to Epipolythiodiketopiperazine Alkaloids: Total Synthesis of (+)-Chaetocins A and C and (+)-12,12'-Dideoxychetracin A","Journal of the American Chemical Society","2010","132","","14376","14378","10.1021/ja106869s","","","1.54178","CuKα","","0.0612","0.0569","","","0.1527","0.1568","","","","","","1.043","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103320","13.502","0.003","13.892","0.003","40.821","0.008","90","","90","","90","","7657","3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C80 H64 B3 Cl4.5 N O9 -","- C80 H64 B3 Cl4.5 N O9 -","- C320 H256 B12 Cl18 N4 O36 -","4","1","","Gang Hu; Anil K. Gupta; Rui H. Huang; Munmun Mukherjee; William D. Wulff","Substrate-Induced Covalent Assembly of a Chemzyme and Crystallographic Characterization of a Chemzyme-Substrate Complex","Journal of the American Chemical Society","2010","132","","14669","14675","10.1021/ja1070224","","x-ray","0.71073","MoKα","","0.1296","0.0936","","","0.261","0.2928","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103321","18.536","0.004","29.114","0.006","13.34","0.003","90","","90","","90","","7199","3","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C81.5 H69 B3 Cl4.5 N2 O9 -","- C82 H69 B3 Cl5 N2 O9 -","- C328 H276 B12 Cl20 N8 O36 -","4","1","","Gang Hu; Anil K. Gupta; Rui H. Huang; Munmun Mukherjee; William D. Wulff","Substrate-Induced Covalent Assembly of a Chemzyme and Crystallographic Characterization of a Chemzyme-Substrate Complex","Journal of the American Chemical Society","2010","132","","14669","14675","10.1021/ja1070224","","","0.71073","MoKα","","0.1446","0.0922","","","0.2384","0.2508","","","","","","1.41","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103322","15.4911","0.0007","8.1017","0.0004","23.2701","0.0011","90","","90","","90","","2920.5","0.2","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Pd-complex","Pd-complex","","- C26 H25 N3 O7 Pd -","- C23 H18 N3 O4 Pd -","- C92 H72 N12 O16 Pd4 -","4","1","","Williamson Oloo; Peter Y. Zavalij; Jing Zhang; Eugene Khaskin; Andrei N. Vedernikov","Preparation and C-X Reductive Elimination Reactivity of Monoaryl PdIV-X Complexes in Water (X = OH, OH2, Cl, Br)","Journal of the American Chemical Society","2010","132","","14400","14402","10.1021/ja107185w","","","0.71073","MoKα","","0.0444","0.0343","","","0.0666","0.0695","","","","","","1","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103323","13.097","0.0016","17.566","0.002","13.4039","0.0016","90","","107.34","0.002","90","","2943.6","0.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pd-complex acetate","Pd-complex acetate, acetone","","- C27.775 H28.55 N3 O5.925 Pd -","- C25 H23 N3 O5 Pd -","- C100 H92 N12 O20 Pd4 -","4","1","","Williamson Oloo; Peter Y. Zavalij; Jing Zhang; Eugene Khaskin; Andrei N. Vedernikov","Preparation and C-X Reductive Elimination Reactivity of Monoaryl PdIV-X Complexes in Water (X = OH, OH2, Cl, Br)","Journal of the American Chemical Society","2010","132","","14400","14402","10.1021/ja107185w","","","0.71073","MoKα","","0.0404","0.0357","","","0.0783","0.0798","","","","","","1.001","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103324","17.0379","0.0014","8.026","0.0007","18.886","0.0016","90","","90","","90","","2582.6","0.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","Pd-complex","Pd-complex","","- C23 H31 N3 O11 Pd -","- C23 H31 N3 O11 Pd -","- C92 H124 N12 O44 Pd4 -","4","1","","Williamson Oloo; Peter Y. Zavalij; Jing Zhang; Eugene Khaskin; Andrei N. Vedernikov","Preparation and C-X Reductive Elimination Reactivity of Monoaryl PdIV-X Complexes in Water (X = OH, OH2, Cl, Br)","Journal of the American Chemical Society","2010","132","","14400","14402","10.1021/ja107185w","","","0.71073","MoKα","","0.0269","0.0229","","","0.0454","0.0469","","","","","","1","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103325","14.4824","0.0012","12.8318","0.0011","16.8071","0.0014","90","","113.782","0.0013","90","","2858.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pd-complex","Pd-complex","","- C27 H23 F6 N3 O8 Pd -","- C27 H23 F6 N3 O8 Pd -","- C108 H92 F24 N12 O32 Pd4 -","4","1","","Williamson Oloo; Peter Y. Zavalij; Jing Zhang; Eugene Khaskin; Andrei N. Vedernikov","Preparation and C-X Reductive Elimination Reactivity of Monoaryl PdIV-X Complexes in Water (X = OH, OH2, Cl, Br)","Journal of the American Chemical Society","2010","132","","14400","14402","10.1021/ja107185w","","","0.71073","MoKα","","0.0414","0.032","","","0.0656","0.0681","","","","","","1","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103326","8.4848","0.0005","8.6172","0.0005","10.4326","0.0007","79.5984","0.0009","88.5172","0.001","86.6206","0.0009","748.85","0.08","150","2","150","2","","","","","","","","5","P 1","P 1","1","Pd-complex","Pd-complex","","- C24 H39 N3 O14 Pd -","- C24 H39 N3 O14 Pd -","- C24 H39 N3 O14 Pd -","1","1","","Williamson Oloo; Peter Y. Zavalij; Jing Zhang; Eugene Khaskin; Andrei N. Vedernikov","Preparation and C-X Reductive Elimination Reactivity of Monoaryl PdIV-X Complexes in Water (X = OH, OH2, Cl, Br)","Journal of the American Chemical Society","2010","132","","14400","14402","10.1021/ja107185w","","","0.71073","MoKα","","0.0208","0.0208","","","0.0492","0.0492","","","","","","1","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4103327","9.8089","0.0006","8.4633","0.0005","13.9252","0.0009","90","","108.657","0.003","90","","1095.26","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 F3 N2 O3 -","- C25 H25 F3 N2 O3 -","- C50 H50 F6 N4 O6 -","2","1","","Lindsay M. Repka; Jane Ni; Sarah E. Reisman","Enantioselective Synthesis of Pyrroloindolines by a Formal [3 + 2] Cycloaddition Reaction","Journal of the American Chemical Society","2010","132","","14418","14420","10.1021/ja107328g","","","0.71073","MoKα","","0.0561","0.0393","","","0.0443","0.0463","","","","","","1.14","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4103328","13.9506","0.0005","7.2073","0.0002","16.3208","0.0005","90","","107.99","0.001","90","","1560.77","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 F3 N2 O3 -","- C16 H17 F3 N2 O3 -","- C64 H68 F12 N8 O12 -","4","1","","Lindsay M. Repka; Jane Ni; Sarah E. Reisman","Enantioselective Synthesis of Pyrroloindolines by a Formal [3 + 2] Cycloaddition Reaction","Journal of the American Chemical Society","2010","132","","14418","14420","10.1021/ja107328g","","","0.71073","MoKα","","0.0757","0.0469","","","0.0737","0.0765","","","","","","1.94","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4103329","6.891","0.003","13.921","0.005","8.2","0.003","90","","105.658","0.006","90","","757.4","0.5","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 O S -","- C18 H22 O S -","- C36 H44 O2 S2 -","2","1","","Jun Hee Lee; Yandong Zhang; Samuel J. Danishefsky","A Straightforward Route to Functionalizedtrans-Diels-Alder Motifs","Journal of the American Chemical Society","2010","132","","14330","14333","10.1021/ja1073855","","","0.71073","MoKα","","0.094","0.058","","","0.1217","0.1368","","","","","","1.024","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103330","10.757","0.003","22.315","0.005","7.0957","0.0016","90","","94.897","0.003","90","","1697.1","0.7","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O2 S -","- C19 H24 O2 S -","- C76 H96 O8 S4 -","4","1","","Jun Hee Lee; Yandong Zhang; Samuel J. Danishefsky","A Straightforward Route to Functionalizedtrans-Diels-Alder Motifs","Journal of the American Chemical Society","2010","132","","14330","14333","10.1021/ja1073855","","","0.71073","MoKα","","0.1757","0.0867","","","0.1657","0.1964","","","","","","1.154","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103331","17.578","0.003","6.3654","0.001","17.405","0.003","90","","110.119","0.002","90","","1828.6","0.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 O S -","- C21 H28 O S -","- C84 H112 O4 S4 -","4","1","","Jun Hee Lee; Yandong Zhang; Samuel J. Danishefsky","A Straightforward Route to Functionalizedtrans-Diels-Alder Motifs","Journal of the American Chemical Society","2010","132","","14330","14333","10.1021/ja1073855","","","0.71073","MoKα","","0.049","0.0387","","","0.1076","0.116","","","","","","1.027","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103332","6.7742","0.0017","10.931","0.003","12.355","0.003","100.562","0.004","105.036","0.004","90.395","0.004","867.2","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 O4 S -","- C19 H24 O4 S -","- C38 H48 O8 S2 -","2","1","","Jun Hee Lee; Yandong Zhang; Samuel J. Danishefsky","A Straightforward Route to Functionalizedtrans-Diels-Alder Motifs","Journal of the American Chemical Society","2010","132","","14330","14333","10.1021/ja1073855","","","0.71073","MoKα","","0.0567","0.0414","","","0.1043","0.1123","","","","","","1.063","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103333","10.1764","0.0015","13.225","0.002","13.805","0.002","89.684","0.002","80.014","0.002","89.799","0.002","1829.7","0.5","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 F3 N O5 Pd -","- C18 H16 F3 N O5 Pd -","- C72 H64 F12 N4 O20 Pd4 -","4","2","","Yingda Ye; Nicholas D. Ball; Jeff W. Kampf; Melanie S. Sanford","Oxidation of a Cyclometalated Pd(II) Dimer with ""CF3+"": Formation and Reactivity of a Catalytically Competent Monomeric Pd(IV) Aquo Complex","Journal of the American Chemical Society","2010","132","","14682","14687","10.1021/ja107780w","","","0.71073","MoKα","","0.046","0.0426","","","0.1077","0.11","","","","","","1.102","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103334","22.6125","0.0009","10.5065","0.0004","24.5966","0.0012","90","","100.141","0.004","90","","5752.3","0.4","90","2","90","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C59 H75 N2 O2 P2 Si3 Y -","- C59 H75 N2 O2 P2 Si3 Y -","- C236 H300 N8 O8 P8 Si12 Y4 -","4","1","","David P. Mills; Lyndsay Soutar; William Lewis; Alexander J. Blake; Stephen T. Liddle","Regioselective C-H Activation and Sequential C-C and C-O Bond Formation Reactions of Aryl Ketones Promoted by an Yttrium Carbene","Journal of the American Chemical Society","2010","132","","14379","14381","10.1021/ja107958u","","","1.5418","CuKα","","0.0918","0.0884","","","0.259","0.262","","","","","","1.18","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103335","13.2474","0.0004","13.428","0.0004","22.4888","0.0007","73.018","0.003","77.028","0.003","64.946","0.003","3442.5","0.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C77.5 H83 N2 O3 P2 Si3 Y -","- C74 H79 N2 O3 P2 Si3 Y -","- C148 H158 N4 O6 P4 Si6 Y2 -","2","1","","David P. Mills; Lyndsay Soutar; William Lewis; Alexander J. Blake; Stephen T. Liddle","Regioselective C-H Activation and Sequential C-C and C-O Bond Formation Reactions of Aryl Ketones Promoted by an Yttrium Carbene","Journal of the American Chemical Society","2010","132","","14379","14381","10.1021/ja107958u","","","1.54184","CuKα","","0.0603","0.0475","","","0.1179","0.1234","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103336","22.828","0.002","10.4486","0.0011","26.112","0.003","90","","111.67","0.002","90","","5788.1","1","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C59 H62 I N2 O2.5 P2 Si2 Y -","- C57 H58 I N2 O2 P2 Si2 Y -","- C228 H232 I4 N8 O8 P8 Si8 Y4 -","4","1","","David P. Mills; Lyndsay Soutar; William Lewis; Alexander J. Blake; Stephen T. Liddle","Regioselective C-H Activation and Sequential C-C and C-O Bond Formation Reactions of Aryl Ketones Promoted by an Yttrium Carbene","Journal of the American Chemical Society","2010","132","","14379","14381","10.1021/ja107958u","","","0.71073","MoKα","","0.0668","0.0496","","","0.124","0.13","","","","","","0.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103337","11.3241","0.0003","21.3836","0.0007","23.4444","0.0009","90","","95.25","0.003","90","","5653.2","0.3","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C58.25 H72 I N2 O2 P2 Si2 Y -","- C53 H66 I N2 O2 P2 Si2 Y -","- C212 H264 I4 N8 O8 P8 Si8 Y4 -","4","1","","David P. Mills; Lyndsay Soutar; William Lewis; Alexander J. Blake; Stephen T. Liddle","Regioselective C-H Activation and Sequential C-C and C-O Bond Formation Reactions of Aryl Ketones Promoted by an Yttrium Carbene","Journal of the American Chemical Society","2010","132","","14379","14381","10.1021/ja107958u","","","1.5418","CuKα","","0.1029","0.0854","","","0.2126","0.2183","","","","","","1.167","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103338","15.3674","0.0011","19.537","0.0014","15.939","0.0011","90","","95.631","0.002","90","","4762.3","0.6","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 O2 -","- C32 H28 O2 -","- C256 H224 O16 -","8","2","","David P. Mills; Lyndsay Soutar; William Lewis; Alexander J. Blake; Stephen T. Liddle","Regioselective C-H Activation and Sequential C-C and C-O Bond Formation Reactions of Aryl Ketones Promoted by an Yttrium Carbene","Journal of the American Chemical Society","2010","132","","14379","14381","10.1021/ja107958u","","","0.71073","MoKα","","0.0874","0.048","","","0.098","0.1155","","","","","","0.998","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103339","12.801","0.002","7.5878","0.0013","12.977","0.002","90","","107.794","0.002","90","","1200.2","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","","Masahiro Hosoya; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Water-Stable Helical Structure of Tertiary Amides of Bicyclic β-Amino Acid Bearing 7-Azabicyclo[2.2.1]heptane. Full Control of Amide Cis-Trans Equilibrium by Bridgehead Substitution","Journal of the American Chemical Society","2010","132","","14780","14789","10.1021/ja1017877","","","0.71073","MoKα","","0.0482","0.0399","","","0.1001","0.1062","","","","","","1.06","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103340","13.694","0.002","7.116","0.0012","26.1","0.004","90","","90","","90","","2543.4","0.7","90","","90","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H16 Br N O -","- C14 H16 Br N O -","- C112 H128 Br8 N8 O8 -","8","2","","Masahiro Hosoya; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Water-Stable Helical Structure of Tertiary Amides of Bicyclic β-Amino Acid Bearing 7-Azabicyclo[2.2.1]heptane. Full Control of Amide Cis-Trans Equilibrium by Bridgehead Substitution","Journal of the American Chemical Society","2010","132","","14780","14789","10.1021/ja1017877","","","0.71073","MoKα","","0.0339","0.0292","","","0.0742","0.0865","","","","","","1.026","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103341","16.873","0.0016","11.1054","0.0011","9.3565","0.0009","90","","118.643","0.001","90","","1538.7","0.3","120","","120","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","","Masahiro Hosoya; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Water-Stable Helical Structure of Tertiary Amides of Bicyclic β-Amino Acid Bearing 7-Azabicyclo[2.2.1]heptane. Full Control of Amide Cis-Trans Equilibrium by Bridgehead Substitution","Journal of the American Chemical Society","2010","132","","14780","14789","10.1021/ja1017877","","","0.71073","MoKα","","0.0285","0.028","","","0.0723","0.0727","","","","","","1.032","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103342","10.1186","0.0011","10.389","0.0011","23.513","0.003","90","","90","","90","","2471.7","0.5","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 N2 O7 -","- C24 H38 N2 O7 -","- C96 H152 N8 O28 -","4","1","","Masahiro Hosoya; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Water-Stable Helical Structure of Tertiary Amides of Bicyclic β-Amino Acid Bearing 7-Azabicyclo[2.2.1]heptane. Full Control of Amide Cis-Trans Equilibrium by Bridgehead Substitution","Journal of the American Chemical Society","2010","132","","14780","14789","10.1021/ja1017877","","","0.71073","MoKα","","0.0433","0.0402","","","0.1018","0.1042","","","","","","1.044","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103343","8.523","0.004","9.727","0.004","15.532","0.006","102.381","0.007","103.948","0.006","90.253","0.006","1218.5","0.9","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H12 Br2 F3 N O -","- C9 H12 Br2 F3 N O -","- C36 H48 Br8 F12 N4 O4 -","4","2","","Masahiro Hosoya; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Water-Stable Helical Structure of Tertiary Amides of Bicyclic β-Amino Acid Bearing 7-Azabicyclo[2.2.1]heptane. Full Control of Amide Cis-Trans Equilibrium by Bridgehead Substitution","Journal of the American Chemical Society","2010","132","","14780","14789","10.1021/ja1017877","","","0.71073","MoKα","","0.1001","0.0648","","","0.1701","0.1965","","","","","","1.023","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103344","8.7129","0.0014","10.4699","0.0016","12.4154","0.0019","90","","92.979","0.002","90","","1131","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Br N O3 -","- C10 H14 Br N O3 -","- C40 H56 Br4 N4 O12 -","4","1","","Masahiro Hosoya; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Water-Stable Helical Structure of Tertiary Amides of Bicyclic β-Amino Acid Bearing 7-Azabicyclo[2.2.1]heptane. Full Control of Amide Cis-Trans Equilibrium by Bridgehead Substitution","Journal of the American Chemical Society","2010","132","","14780","14789","10.1021/ja1017877","","","0.71073","MoKα","","0.1127","0.0955","","","0.1921","0.2007","","","","","","1.138","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103345","7.8838","0.001","14.8491","0.0019","12.2397","0.0016","90","","94.455","0.002","90","","1428.5","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br N O3 -","- C15 H16 Br N O3 -","- C60 H64 Br4 N4 O12 -","4","1","","Masahiro Hosoya; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Water-Stable Helical Structure of Tertiary Amides of Bicyclic β-Amino Acid Bearing 7-Azabicyclo[2.2.1]heptane. Full Control of Amide Cis-Trans Equilibrium by Bridgehead Substitution","Journal of the American Chemical Society","2010","132","","14780","14789","10.1021/ja1017877","","","0.71073","MoKα","","0.0332","0.0257","","","0.0612","0.064","","","","","","1.046","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103346","12.4707","0.0004","12.6792","0.0004","16.9635","0.0005","109.536","0.0018","100.808","0.002","91.254","0.002","2472.61","0.14","193","2","193","2","","","","","","","","10","P -1","-P 1","2","","","","- C50 H48 B Cl2 F4 Fe Ni O2 P3 S2 -","- C50 H48 B Cl2 F4 Fe Ni O2 P3 S2 -","- C100 H96 B2 Cl4 F8 Fe2 Ni2 O4 P6 S4 -","2","1","","Bryan E. Barton; Thomas B. Rauchfuss","Hydride-Containing Models for the Active Site of the Nickel-Iron Hydrogenases","Journal of the American Chemical Society","2010","132","","14877","14885","10.1021/ja105312p","","","0.71073","MoKα","","0.0849","0.0452","","","0.0857","0.0986","","","","","","0.996","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103347","44.3453","0.0008","44.3453","0.0008","44.3453","0.0008","90","","90","","90","","87205","3","95","2","95","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","UMCM-3","","","- C99 H51 O32.5 S3 Zn10 -","- C99 H51 O32.5 S3 Zn10 -","- C792 H408 O260 S24 Zn80 -","8","0.0833333","","Kyoungmoo Koh; Antek G. Wong-Foy; Adam J. Matzger","Coordination Copolymerization Mediated by Zn4O(CO2R)6 Metal Clusters: a Balancing Act between Statistics and Geometry","Journal of the American Chemical Society","2010","132","","15005","15010","10.1021/ja1065009","","","1.5418","CuKα","","0.1032","0.0411","","","0.0893","0.1059","","","","","","0.839","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103348","25.0572","0.0005","25.4805","0.0005","32.9266","0.0006","90","","90","","90","","21022.6","0.7","95","2","95","2","","","","","","","","5","P n m a","-P 2ac 2n","62","UMCM-4","","","- C33 H18 N O13 Zn4 -","- C33 H18 N O13 Zn4 -","- C264 H144 N8 O104 Zn32 -","8","1","","Kyoungmoo Koh; Antek G. Wong-Foy; Adam J. Matzger","Coordination Copolymerization Mediated by Zn4O(CO2R)6 Metal Clusters: a Balancing Act between Statistics and Geometry","Journal of the American Chemical Society","2010","132","","15005","15010","10.1021/ja1065009","","","1.54187","CuKα","","0.101","0.0552","","","0.1441","0.1571","","","","","","0.949","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103349","21.3132","0.0007","12.8607","0.0004","25.0256","0.0009","90","","106.462","0.001","90","","6578.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H81.5 B F1.5 Fe N3 -","- C71 H81.5 B F1.5 Fe N3 -","- C284 H326 B4 F6 Fe4 N12 -","4","1","","Aaron M. Tondreau; Carsten Milsmann; Andrew D. Patrick; Helen M. Hoyt; Emil Lobkovsky; Karl Wieghardt; Paul J. Chirik","Synthesis and Electronic Structure of Cationic, Neutral, and Anionic Bis(imino)pyridine Iron Alkyl Complexes: Evaluation of Redox Activity in Single-Component Ethylene Polymerization Catalysts","Journal of the American Chemical Society","2010","132","","15046","15059","10.1021/ja106575b","","","0.71073","MoKα","","0.0737","0.0487","","","0.1338","0.1453","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103350","12.5472","0.0017","21.249","0.003","20.871","0.003","90","","92.253","0.004","90","","5560.2","1.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H84 Fe Li N5 O3 -","- C50 H84 Fe Li N5 O3 -","- C200 H336 Fe4 Li4 N20 O12 -","4","1","","Aaron M. Tondreau; Carsten Milsmann; Andrew D. Patrick; Helen M. Hoyt; Emil Lobkovsky; Karl Wieghardt; Paul J. Chirik","Synthesis and Electronic Structure of Cationic, Neutral, and Anionic Bis(imino)pyridine Iron Alkyl Complexes: Evaluation of Redox Activity in Single-Component Ethylene Polymerization Catalysts","Journal of the American Chemical Society","2010","132","","15046","15059","10.1021/ja106575b","","","0.71073","MoKα","","0.0841","0.0562","","","0.1563","0.1693","","","","","","1.104","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103351","18.6102","0.0012","10.5514","0.0007","26.7885","0.0018","90","","109.125","0.002","90","","4970","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H66 B Fe N3 -","- C58 H66 B Fe N3 -","- C232 H264 B4 Fe4 N12 -","4","1","","Aaron M. Tondreau; Carsten Milsmann; Andrew D. Patrick; Helen M. Hoyt; Emil Lobkovsky; Karl Wieghardt; Paul J. Chirik","Synthesis and Electronic Structure of Cationic, Neutral, and Anionic Bis(imino)pyridine Iron Alkyl Complexes: Evaluation of Redox Activity in Single-Component Ethylene Polymerization Catalysts","Journal of the American Chemical Society","2010","132","","15046","15059","10.1021/ja106575b","","","0.71073","MoKα","","0.0986","0.0509","","","0.108","0.1253","","","","","","1.012","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103352","10.1812","0.0002","25.7846","0.0006","11.8057","0.0003","90","","101.867","0.001","90","","3032.97","0.12","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 N O7 S2 -","- C32 H33 N O7 S2 -","- C128 H132 N4 O28 S8 -","4","1","","Malek Nechab; Damien Campolo; Julien Maury; Patricia Perfetti; Nicolas Vanthuyne; Didier Siri; Michèle P. Bertrand","Memory of Chirality in Cascade Rearrangements of Enediynes","Journal of the American Chemical Society","2010","132","","14742","14744","10.1021/ja106668d","","x-ray","0.71073","MoKα","","0.1602","0.0728","","","0.1962","0.2628","","","","","","1.06","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103353","6.9168","0.0002","17.2861","0.0004","20.1345","0.0007","90","","90","","90","","2407.37","0.12","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 N O4 S -","- C28 H23 N O4 S -","- C112 H92 N4 O16 S4 -","4","1","","Malek Nechab; Damien Campolo; Julien Maury; Patricia Perfetti; Nicolas Vanthuyne; Didier Siri; Michèle P. Bertrand","Memory of Chirality in Cascade Rearrangements of Enediynes","Journal of the American Chemical Society","2010","132","","14742","14744","10.1021/ja106668d","","x-ray","0.71073","MoKα","","0.1083","0.0569","","","0.1145","0.1339","","","","","","1.082","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103354","12.1663","0.0005","7.4545","0.0002","13.529","0.0007","90","","92.885","0.001","90","","1225.44","0.09","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C28 H27 N O6 S -","- C28 H27 N O6 S -","- C56 H54 N2 O12 S2 -","2","1","","Malek Nechab; Damien Campolo; Julien Maury; Patricia Perfetti; Nicolas Vanthuyne; Didier Siri; Michèle P. Bertrand","Memory of Chirality in Cascade Rearrangements of Enediynes","Journal of the American Chemical Society","2010","132","","14742","14744","10.1021/ja106668d","","x-ray","0.71073","MoKα","","0.1792","0.1177","","","0.1802","0.209","","","","","","1.234","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103355","10.6454","0.0009","19.1241","0.0015","16.5399","0.0013","90","","105.247","0.002","90","","3248.7","0.5","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H44 B I N2 -","- C33 H44 B I N2 -","- C132 H176 B4 I4 N8 -","4","1","","Andrey Solovyev; Qianli Chu; Steven J. Geib; Louis Fensterbank; Max Malacria; Emmanuel Lacôte; Dennis P. Curran","Substitution Reactions at Tetracoordinate Boron: Synthesis of N-Heterocyclic Carbene Boranes with Boron-Heteroatom Bonds","Journal of the American Chemical Society","2010","132","","15072","15080","10.1021/ja107025y","","","0.71073","MoKα","","0.0656","0.0392","","","0.0963","0.1085","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103356","9.4185","0.0011","13.9059","0.0017","20.077","0.002","90","","98.302","0.002","90","","2602","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 B N5 -","- C27 H38 B N5 -","- C108 H152 B4 N20 -","4","1","","Andrey Solovyev; Qianli Chu; Steven J. Geib; Louis Fensterbank; Max Malacria; Emmanuel Lacôte; Dennis P. Curran","Substitution Reactions at Tetracoordinate Boron: Synthesis of N-Heterocyclic Carbene Boranes with Boron-Heteroatom Bonds","Journal of the American Chemical Society","2010","132","","15072","15080","10.1021/ja107025y","","","0.71073","MoKα","","0.0816","0.0555","","","0.1349","0.1454","","","","","","1.12","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103357","10.716","0.002","14.021","0.003","18.186","0.003","90","","96.989","0.004","90","","2712.1","0.9","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 B N3 O -","- C28 H38 B N3 O -","- C112 H152 B4 N12 O4 -","4","1","","Andrey Solovyev; Qianli Chu; Steven J. Geib; Louis Fensterbank; Max Malacria; Emmanuel Lacôte; Dennis P. Curran","Substitution Reactions at Tetracoordinate Boron: Synthesis of N-Heterocyclic Carbene Boranes with Boron-Heteroatom Bonds","Journal of the American Chemical Society","2010","132","","15072","15080","10.1021/ja107025y","","","0.71073","MoKα","","0.107","0.0581","","","0.1326","0.1514","","","","","","0.957","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103358","11.3135","0.0015","13.8029","0.0019","17.92","0.003","90","","93.084","0.003","90","","2794.3","0.7","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 B N3 S -","- C28 H38 B N3 S -","- C112 H152 B4 N12 S4 -","4","1","","Andrey Solovyev; Qianli Chu; Steven J. Geib; Louis Fensterbank; Max Malacria; Emmanuel Lacôte; Dennis P. Curran","Substitution Reactions at Tetracoordinate Boron: Synthesis of N-Heterocyclic Carbene Boranes with Boron-Heteroatom Bonds","Journal of the American Chemical Society","2010","132","","15072","15080","10.1021/ja107025y","","","0.71073","MoKα","","0.0903","0.0724","","","0.2078","0.2159","","","","","","1.727","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103359","9.4529","0.0009","14.1517","0.0013","19.4564","0.0018","90","","97.994","0.002","90","","2577.5","0.4","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 B N3 O2 -","- C27 H38 B N3 O2 -","- C108 H152 B4 N12 O8 -","4","1","","Andrey Solovyev; Qianli Chu; Steven J. Geib; Louis Fensterbank; Max Malacria; Emmanuel Lacôte; Dennis P. Curran","Substitution Reactions at Tetracoordinate Boron: Synthesis of N-Heterocyclic Carbene Boranes with Boron-Heteroatom Bonds","Journal of the American Chemical Society","2010","132","","15072","15080","10.1021/ja107025y","","","0.71073","MoKα","","0.0746","0.0523","","","0.1353","0.1494","","","","","","1.148","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103360","9.4489","0.0009","14.8309","0.0014","19.1914","0.0019","90","","98.389","0.002","90","","2660.6","0.4","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 B N3 O2 -","- C27 H38 B N3 O2 -","- C108 H152 B4 N12 O8 -","4","1","","Andrey Solovyev; Qianli Chu; Steven J. Geib; Louis Fensterbank; Max Malacria; Emmanuel Lacôte; Dennis P. Curran","Substitution Reactions at Tetracoordinate Boron: Synthesis of N-Heterocyclic Carbene Boranes with Boron-Heteroatom Bonds","Journal of the American Chemical Society","2010","132","","15072","15080","10.1021/ja107025y","","","0.71073","MoKα","","0.084","0.0622","","","0.185","0.1946","","","","","","1.576","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103361","10.771","0.004","16.38","0.006","19.418","0.007","89.496","0.006","75.418","0.006","87.161","0.007","3311","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H45 B N2 O3 S -","- C34 H45 B N2 O3 S -","- C136 H180 B4 N8 O12 S4 -","4","2","","Andrey Solovyev; Qianli Chu; Steven J. Geib; Louis Fensterbank; Max Malacria; Emmanuel Lacôte; Dennis P. Curran","Substitution Reactions at Tetracoordinate Boron: Synthesis of N-Heterocyclic Carbene Boranes with Boron-Heteroatom Bonds","Journal of the American Chemical Society","2010","132","","15072","15080","10.1021/ja107025y","","","0.71073","MoKα","","0.2495","0.0659","","","0.1395","0.1785","","","","","","0.747","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103362","13.4194","0.001","13.9514","0.0011","18.1446","0.0014","90","","94.433","0.002","90","","3386.9","0.5","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H43 B N6 O2 S -","- C34 H43 B N6 O2 S -","- C136 H172 B4 N24 O8 S4 -","4","1","","Andrey Solovyev; Qianli Chu; Steven J. Geib; Louis Fensterbank; Max Malacria; Emmanuel Lacôte; Dennis P. Curran","Substitution Reactions at Tetracoordinate Boron: Synthesis of N-Heterocyclic Carbene Boranes with Boron-Heteroatom Bonds","Journal of the American Chemical Society","2010","132","","15072","15080","10.1021/ja107025y","","","0.71073","MoKα","","0.0825","0.057","","","0.1414","0.1561","","","","","","1.183","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103363","10.7146","0.0013","12.8217","0.0016","19.089","0.002","90","","90","","90","","2622.4","0.5","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C27 H35 I N2 -","- C27 H35 I N2 -","- C108 H140 I4 N8 -","4","0.5","","Andrey Solovyev; Qianli Chu; Steven J. Geib; Louis Fensterbank; Max Malacria; Emmanuel Lacôte; Dennis P. Curran","Substitution Reactions at Tetracoordinate Boron: Synthesis of N-Heterocyclic Carbene Boranes with Boron-Heteroatom Bonds","Journal of the American Chemical Society","2010","132","","15072","15080","10.1021/ja107025y","","","0.71073","MoKα","","0.0357","0.0304","","","0.1042","0.1102","","","","","","1.095","","","","has coordinates","268283","2021-08-30","06:31:21",""
"4103364","9.199","0.002","14.76","0.003","31.273","0.007","90","","90","","90","","4246.2","1.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H56 Cl N2 O3 P2 Rh -","- C45 H56 Cl N2 O3 P2 Rh -","- C180 H224 Cl4 N8 O12 P8 Rh4 -","4","1","","Amanda D. Worthy; Candice L. Joe; Thomas E. Lightburn; Kian L. Tan","Application of a Chiral Scaffolding Ligand in Catalytic Enantioselective Hydroformylation","Journal of the American Chemical Society","2010","132","","14757","14759","10.1021/ja107433h","","","0.71073","MoKα","","0.0706","0.0511","","","0.0858","0.0916","","","","","","1.054","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103365","9.0469","0.0012","17.621","0.003","17.863","0.002","99.309","0.002","98.314","0.002","100.804","0.002","2715","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H34 O4 S2 -","- C32 H34 O4 S2 -","- C128 H136 O16 S8 -","4","2","","Kazunori Sugiyasu; Yoshihito Honsho; Ryan M. Harrison; Akira Sato; Takeshi Yasuda; Shu Seki; Masayuki Takeuchi","A Self-Threading Polythiophene: Defect-Free Insulated Molecular Wires Endowed with Long Effective Conjugation Length","Journal of the American Chemical Society","2010","132","","14754","14756","10.1021/ja107444m","","","0.71073","MoKα","","0.0415","0.036","","","0.0945","0.0994","","","","","","1.028","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103366","21.216","0.004","8.2816","0.0017","13.126","0.003","90","","98.71","0.03","90","","2279.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Al Br Cl4 Sb2 Te2 -","- Al Br Cl4 Sb2 Te2 -","- Al8 Br8 Cl32 Sb16 Te16 -","8","1","","Kanishka Biswas; Qichun Zhang; In Chung; Jung-Hwan Song; John Androulakis; Arthur J. Freeman; Mercouri G. Kanatzidis","Synthesis in Ionic Liquids: [Bi2Te2Br](AlCl4), a Direct Gap Semiconductor with a Cationic Framework","Journal of the American Chemical Society","2010","132","","14760","14762","10.1021/ja107483g","","","0.71073","MoKα","","0.0412","0.0245","","","0.0625","0.068","","","","","","1.012","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103367","21.2247","0.0013","8.4778","0.0003","13.2264","0.001","90","","99.28","0.005","90","","2348.8","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Al Bi2 Br Cl4 Te2 -","- Al Bi2 Br Cl4 Te2 -","- Al8 Bi16 Br8 Cl32 Te16 -","8","1","","Kanishka Biswas; Qichun Zhang; In Chung; Jung-Hwan Song; John Androulakis; Arthur J. Freeman; Mercouri G. Kanatzidis","Synthesis in Ionic Liquids: [Bi2Te2Br](AlCl4), a Direct Gap Semiconductor with a Cationic Framework","Journal of the American Chemical Society","2010","132","","14760","14762","10.1021/ja107483g","","","0.71073","MoKα","","0.0664","0.0435","","","0.1104","0.1229","","","","","","1.055","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103368","14.1339","0.0017","22.245","0.003","6.8288","0.0008","90","","94.726","0.002","90","","2139.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(triaminoguanidiunium) (5Z,5'Z)-4,4'-(ethane-1,2-diyl)bis(5-(nitroimino) -4,5-dihydrotetrazol-1-ide) hydrate","","- C6 H24 N24 O5 -","- C6 H24 N24 O5 -","- C24 H96 N96 O20 -","4","1","","Young-Hyuk Joo; Jean'ne M. Shreeve","Nitroimino-tetrazolates and Oxy-nitroimino-tetrazolates","Journal of the American Chemical Society","2010","132","","15081","15090","10.1021/ja107729c","","","0.71073","MoKα","","0.0713","0.0426","","","0.0951","0.109","","","","","","1.007","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103369","26.767","0.006","4.8803","0.001","10.707","0.002","90","","92.639","0.003","90","","1397.2","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(1,1'-(ethane-1,2-diylbis(oxy))bis(1H-tetrazole-1(4H)-yl-5(4H)-ylidene)) dinitramide dihydrate","","- C4 H10 N12 O8 -","- C4 H10 N12 O8 -","- C16 H40 N48 O32 -","4","0.5","","Young-Hyuk Joo; Jean'ne M. Shreeve","Nitroimino-tetrazolates and Oxy-nitroimino-tetrazolates","Journal of the American Chemical Society","2010","132","","15081","15090","10.1021/ja107729c","","","0.71073","MoKα","","0.0372","0.0317","","","0.088","0.0918","","","","","","1.077","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103370","7.7035","0.0003","10.8458","0.0004","10.9203","0.0004","79.481","0.001","76.778","0.001","77.897","0.001","859.74","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Carbohydrazidium (5E,5'E)-4,4'-(ethane-1,2-diylbis(oxy))bis(5-(nitroimino) -4,5-dihydrotetrazol-1-ide) dihydrate","","- C5 H16 N16 O9 -","- C5 H16 N16 O9 -","- C10 H32 N32 O18 -","2","1","","Young-Hyuk Joo; Jean'ne M. Shreeve","Nitroimino-tetrazolates and Oxy-nitroimino-tetrazolates","Journal of the American Chemical Society","2010","132","","15081","15090","10.1021/ja107729c","","","0.71073","MoKα","","0.037","0.0331","","","0.0853","0.0887","","","","","","1.045","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103371","7.5429","0.0005","8.9642","0.0006","15.2214","0.0011","80.376","0.002","82.322","0.002","77.146","0.002","984.31","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","bis(dihydrazinylmethaniminium) ((5E,5'E)-4,4'-(ethane-1,2-diylbis(oxy)) bis(5-(nitroimino)-4,5-dihydrotetrazol-1-ide))","","- C6 H20 N22 O6 -","- C6 H20 N22 O6 -","- C12 H40 N44 O12 -","2","1","","Young-Hyuk Joo; Jean'ne M. Shreeve","Nitroimino-tetrazolates and Oxy-nitroimino-tetrazolates","Journal of the American Chemical Society","2010","132","","15081","15090","10.1021/ja107729c","","","0.71073","MoKα","","0.0491","0.0383","","","0.0951","0.1024","","","","","","1.057","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103372","14.251","0.002","12.9147","0.0019","11.0418","0.0017","90","","91.008","0.002","90","","2031.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(dihydrazinylmethaniminium) (5Z,5'Z)-4,4'-(ethane-1,2-diyl)bis(5- (nitroimino)-4,5-dihydrotetrazol-1-ide) dihydrate","","- C6 H24 N22 O6 -","- C6 H24 N22 O6 -","- C24 H96 N88 O24 -","4","1","","Young-Hyuk Joo; Jean'ne M. Shreeve","Nitroimino-tetrazolates and Oxy-nitroimino-tetrazolates","Journal of the American Chemical Society","2010","132","","15081","15090","10.1021/ja107729c","","","0.71073","MoKα","","0.0432","0.0341","","","0.0875","0.0945","","","","","","1.05","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103373","11.795","0.0004","12.435","0.0005","21.528","0.0012","90","","97.135","0.002","90","","3133.1","0.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H47 Cl N2 O P2 Ru -","- C31.5 H47 Cl N2 O P2 Ru -","- C126 H188 Cl4 N8 O4 P8 Ru4 -","4","1","","Chidambaram Gunanathan; Boopathy Gnanaprakasam; Mark A. Iron; Linda J. W. Shimon; David Milstein","""Long-Range"" Metal-Ligand Cooperation in H2 Activation and Ammonia-Promoted Hydride Transfer with a Ruthenium-Acridine Pincer Complex","Journal of the American Chemical Society","2010","132","","14763","14765","10.1021/ja107770y","","","0.71073","MoKα","","0.0693","0.0428","","","0.1021","0.1101","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103374","14.941","0.003","12.64","0.003","20.96","0.004","90","","97.94","0.03","90","","3920.4","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H110 N2 O7 P4 Ru2 -","- C86 H110 N2 O6.99 P4 Ru2 -","- C172 H220 N4 O13.98 P8 Ru4 -","2","0.5","","Chidambaram Gunanathan; Boopathy Gnanaprakasam; Mark A. Iron; Linda J. W. Shimon; David Milstein","""Long-Range"" Metal-Ligand Cooperation in H2 Activation and Ammonia-Promoted Hydride Transfer with a Ruthenium-Acridine Pincer Complex","Journal of the American Chemical Society","2010","132","","14763","14765","10.1021/ja107770y","","","0.71073","MoKα","","0.035","0.0266","","","0.0617","0.0685","","","","","","1.079","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103375","15.4003","0.0003","16.0686","0.0002","16.5517","0.0003","67.4337","0.0006","64.9752","0.0006","75.2821","0.0006","3406.59","0.1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H18 F10 N4 O -","- C38 H18 F10 N4 O -","- C152 H72 F40 N16 O4 -","4","2","","Anil Kumar; Israel Goldberg; Mark Botoshansky; Yekaterina Buchman; Zeev Gross","Oxygen Atom Transfer Reactions from Isolated (Oxo)manganese(V) Corroles to Sulfides","Journal of the American Chemical Society","2010","132","","15233","15245","10.1021/ja1050296","","","0.71073","MoKα","","0.1227","0.058","","","0.1414","0.1621","","","","","","0.914","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103376","17.911","0.004","12.858","0.003","13.559","0.003","90","","110.68","0.03","90","","2921.4","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H20 F6 N4 -","- C37 H20 F6 N4 -","- C148 H80 F24 N16 -","4","1","","Anil Kumar; Israel Goldberg; Mark Botoshansky; Yekaterina Buchman; Zeev Gross","Oxygen Atom Transfer Reactions from Isolated (Oxo)manganese(V) Corroles to Sulfides","Journal of the American Chemical Society","2010","132","","15233","15245","10.1021/ja1050296","","","0.71073","MoKα","","0.1294","0.057","","","0.1418","0.1616","","","","","","1.034","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103377","14.816","0.003","39.268","0.008","7.422","0.001","90","","104.29","0.03","90","","4184.5","1.4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H16 F15 Mn N4 O2 -","- C41 H16 F15 Mn N4 O2 -","- C164 H64 F60 Mn4 N16 O8 -","4","1","","Anil Kumar; Israel Goldberg; Mark Botoshansky; Yekaterina Buchman; Zeev Gross","Oxygen Atom Transfer Reactions from Isolated (Oxo)manganese(V) Corroles to Sulfides","Journal of the American Chemical Society","2010","132","","15233","15245","10.1021/ja1050296","","","0.71073","MoKα","","0.1466","0.0957","","","0.2615","0.28","","","","","","1.382","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103378","23.237","0.001","7.4218","0.0004","32.1102","0.0016","90","","107.732","0.002","90","","5274.6","0.5","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H8 Br8 F15 Mn N4 O2 -","- C41 H8 Br8 F15 Mn N4 O2 -","- C164 H32 Br32 F60 Mn4 N16 O8 -","4","1","","Anil Kumar; Israel Goldberg; Mark Botoshansky; Yekaterina Buchman; Zeev Gross","Oxygen Atom Transfer Reactions from Isolated (Oxo)manganese(V) Corroles to Sulfides","Journal of the American Chemical Society","2010","132","","15233","15245","10.1021/ja1050296","","","0.71073","MoKα","","0.1094","0.0542","","","0.1232","0.1363","","","","","","0.953","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103379","11.7695","0.0002","16.4116","0.0003","19.4712","0.0002","90","","90","","90","","3760.99","0.1","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H22 Br4 F5 Mn N4 O2 -","- C41 H22 Br4 F5 Mn N4 O2 -","- C164 H88 Br16 F20 Mn4 N16 O8 -","4","1","","Anil Kumar; Israel Goldberg; Mark Botoshansky; Yekaterina Buchman; Zeev Gross","Oxygen Atom Transfer Reactions from Isolated (Oxo)manganese(V) Corroles to Sulfides","Journal of the American Chemical Society","2010","132","","15233","15245","10.1021/ja1050296","","","0.71073","MoKα","","0.0447","0.0332","","","0.0705","0.0748","","","","","","0.982","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103380","38.806","0.008","15.342","0.003","14.647","0.003","90","","90","","90","","8720","3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C45 H33 Cl6 Mn N4 O4 -","- C45 H33 Cl6 Mn N4 O4 -","- C360 H264 Cl48 Mn8 N32 O32 -","8","1","","Anil Kumar; Israel Goldberg; Mark Botoshansky; Yekaterina Buchman; Zeev Gross","Oxygen Atom Transfer Reactions from Isolated (Oxo)manganese(V) Corroles to Sulfides","Journal of the American Chemical Society","2010","132","","15233","15245","10.1021/ja1050296","","","0.71073","MoKα","","0.1274","0.0625","","","0.1662","0.1872","","","","","","1.037","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103381","11.1966","0.0002","18.4159","0.0003","24.8914","0.0006","90","","99.9206","0.0006","90","","5055.75","0.17","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H17 Br8 Cl6 Mn N4 O2 -","- C41 H17 Br8 Cl6 Mn N4 O2 -","- C164 H68 Br32 Cl24 Mn4 N16 O8 -","4","1","","Anil Kumar; Israel Goldberg; Mark Botoshansky; Yekaterina Buchman; Zeev Gross","Oxygen Atom Transfer Reactions from Isolated (Oxo)manganese(V) Corroles to Sulfides","Journal of the American Chemical Society","2010","132","","15233","15245","10.1021/ja1050296","","","0.71073","MoKα","","0.069","0.0452","","","0.1034","0.1095","","","","","","1.043","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103382","12.6988","0.0002","13.4937","0.0002","22.5901","0.0005","90","","95.0013","0.0007","90","","3856.16","0.12","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H25 Cl6 Mn N4 O S -","- C44 H25 Cl6 Mn N4 O S -","- C176 H100 Cl24 Mn4 N16 O4 S4 -","4","1","","Anil Kumar; Israel Goldberg; Mark Botoshansky; Yekaterina Buchman; Zeev Gross","Oxygen Atom Transfer Reactions from Isolated (Oxo)manganese(V) Corroles to Sulfides","Journal of the American Chemical Society","2010","132","","15233","15245","10.1021/ja1050296","","","0.71073","MoKα","","0.1185","0.0554","","","0.1321","0.1682","","","","","","0.965","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103383","18.9952","0.0005","18.9952","0.0005","11.8778","0.0003","90","","90","","120","","3711.54","0.17","200","2","200","2","","","","","","","","6","P 61","P 61","169","","","","- C21 H29 B F4 N2 Pd -","- C21 H29 B F4 N2 Pd -","- C126 H174 B6 F24 N12 Pd6 -","6","1","","Alison N. Campbell; Paul B. White; Ilia A. Guzei; Shannon S. Stahl","Allylic C-H Acetoxylation with a 4,5-Diazafluorenone-Ligated Palladium Catalyst: A Ligand-Based Strategy To Achieve Aerobic Catalytic Turnover","Journal of the American Chemical Society","2010","132","","15116","15119","10.1021/ja105829t","","","0.71073","MoKα","","0.053","0.0511","","","0.1361","0.137","","","","","","0.973","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103384","13.7592","0.0004","6.5942","0.0002","15.8076","0.0005","90","","90","","90","","1434.24","0.08","100","1","100","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H11 B F4 N2 O Pd -","- C14 H11 B F4 N2 O Pd -","- C56 H44 B4 F16 N8 O4 Pd4 -","4","0.5","","Alison N. Campbell; Paul B. White; Ilia A. Guzei; Shannon S. Stahl","Allylic C-H Acetoxylation with a 4,5-Diazafluorenone-Ligated Palladium Catalyst: A Ligand-Based Strategy To Achieve Aerobic Catalytic Turnover","Journal of the American Chemical Society","2010","132","","15116","15119","10.1021/ja105829t","","","0.71073","MoKα","","0.0205","0.0191","","","0.0481","0.0493","","","","","","0.861","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103385","33.915","0.005","33.915","0.005","59.795","0.008","90","","90","","120","","59563","15","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C236 H616 N104 Ni54 O434 P8 W72 -","- C236 H387.96 N104 Ni54 O434 P8 W72 -","- C708 H1163.88 N312 Ni162 O1302 P24 W216 -","3","0.166667","","Shou-Tian Zheng; Jie Zhang; Xin-Xiong Li; Wei-Hui Fang; Guo-Yu Yang","cubic Polyoxometalate-Organic Molecular Cage","Journal of the American Chemical Society","2010","132","","15102","15103","10.1021/ja105986b","","","0.71073","MoKα","","0.1175","0.0959","","","0.2131","0.2297","","","","","","1.072","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103386","20.4563","0.0033","15.6609","0.0019","14.4447","0.0016","90","","90","","90","","4627.6","1.1","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C32 N8 O15 V3 -","- C32 N8 O15 V3 -","- C128 N32 O60 V12 -","4","1","","Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos","Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms","Journal of the American Chemical Society","2010","132","","15277","15285","10.1021/ja106142x","powder diffraction","","","","","","","","","","","","","0.97","","","","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103387","6.8285","0.0007","14.5274","0.0018","14.0135","0.0018","90","","90","","90","","1390.1","0.3","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12.6 N0.6 O3 V -","- C12.678 N0.618 O3 V -","- C50.712 N2.472 O12 V4 -","4","0.5","","Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos","Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms","Journal of the American Chemical Society","2010","132","","15277","15285","10.1021/ja106142x","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.0537","","0.97","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103388","6.6387","0.0006","15.761","0.0014","14.1961","0.0014","90","","90","","90","","1485.4","0.2","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C16.09 Al O5 -","- C15.4496 Al O5 -","- C61.7984 Al4 O20 -","4","0.25","","Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos","Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms","Journal of the American Chemical Society","2010","132","","15277","15285","10.1021/ja106142x","powder diffraction","","","","","","","","","","","","","6.83","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103389","20.276","0.02","7.5323","0.0034","6.76","0.006","90","","100.72","0.11","90","","1014.4","1.5","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11.5 Al O5 -","- C11.5 Al O5 -","- C46 Al4 O20 -","4","1","","Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos","Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms","Journal of the American Chemical Society","2010","132","","15277","15285","10.1021/ja106142x","powder diffraction","","","","","","","","","","","","","6.83","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103390","6.6424","0.0004","16.0436","0.0011","13.8471","0.001","90","","90","","90","","1475.66","0.17","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C15.45 Al O5 -","- C15.4528 Al O5 -","- C61.8112 Al4 O20 -","4","0.25","","Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos","Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms","Journal of the American Chemical Society","2010","132","","15277","15285","10.1021/ja106142x","powder diffraction","","","","","","","","","","","","","4.26","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103391","19.806","0.028","7.366","0.005","7.055","0.009","90","","104.36","0.19","90","","997","2","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C16.16 Al O3 -","- C16.4 Al O3 -","- C65.6 Al4 O12 -","4","1","","Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos","Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms","Journal of the American Chemical Society","2010","132","","15277","15285","10.1021/ja106142x","powder diffraction","","","","","","","","","","","","","4.26","","","","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103392","7.297","0.003","8.506","0.003","21.594","0.008","90","","92.523","0.006","90","","1339","0.9","153.1","","153.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl N3 Pd S -","- C13 H12 Cl N3 Pd S -","- C52 H48 Cl4 N12 Pd4 S4 -","4","1","","Atsushi Kobayashi; Masa-aki Dosen; Mee Chang; Kiyohiko Nakajima; Shin-ichiro Noro; Masako Kato","Synthesis of Metal-Hydrazone Complexes and Vapochromic Behavior of Their Hydrogen-Bonded Proton-Transfer Assemblies","Journal of the American Chemical Society","2010","132","","15286","15298","10.1021/ja1063444","","","0.7107","MoKα","","","0.0342","","","","0.0899","","","","","","1.191","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103393","8.645","0.003","9.574","0.003","9.938","0.003","86.455","0.008","87.41","0.009","82.196","0.008","812.8","0.5","150.1","","150.1","","","","","","","","","7","P -1","-P 1","2","","","","- C13 H13 Cl2 N3 O4 Pd S -","- C13 H13 Cl2 N3 O4 Pd S -","- C26 H26 Cl4 N6 O8 Pd2 S2 -","2","1","","Atsushi Kobayashi; Masa-aki Dosen; Mee Chang; Kiyohiko Nakajima; Shin-ichiro Noro; Masako Kato","Synthesis of Metal-Hydrazone Complexes and Vapochromic Behavior of Their Hydrogen-Bonded Proton-Transfer Assemblies","Journal of the American Chemical Society","2010","132","","15286","15298","10.1021/ja1063444","","","0.7107","MoKα","","","0.0365","","","","0.0814","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103394","7.2466","0.001","8.687","0.0007","21.727","0.002","90","","92.269","0.005","90","","1366.7","0.3","150.1","","150.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Br N3 Pd S -","- C13 H12 Br N3 Pd S -","- C52 H48 Br4 N12 Pd4 S4 -","4","1","","Atsushi Kobayashi; Masa-aki Dosen; Mee Chang; Kiyohiko Nakajima; Shin-ichiro Noro; Masako Kato","Synthesis of Metal-Hydrazone Complexes and Vapochromic Behavior of Their Hydrogen-Bonded Proton-Transfer Assemblies","Journal of the American Chemical Society","2010","132","","15286","15298","10.1021/ja1063444","","","0.7107","MoKα","","","0.0258","","","","0.0649","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103395","32.506","0.005","8.6406","0.0013","21.204","0.004","90","","120.666","0.0015","90","","5122.7","1.5","150.1","","150.1","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Br3 N3 O5 Pd S -","- C22 H20 Br3 N3 O5 Pd S -","- C176 H160 Br24 N24 O40 Pd8 S8 -","8","1","","Atsushi Kobayashi; Masa-aki Dosen; Mee Chang; Kiyohiko Nakajima; Shin-ichiro Noro; Masako Kato","Synthesis of Metal-Hydrazone Complexes and Vapochromic Behavior of Their Hydrogen-Bonded Proton-Transfer Assemblies","Journal of the American Chemical Society","2010","132","","15286","15298","10.1021/ja1063444","","","0.7107","MoKα","","","0.0267","","","","0.0591","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103396","9.779","0.002","12.792","0.003","13.927","0.003","97.402","0.002","96.785","0.002","110.977","0.003","1587.6","0.6","250.1","","250.1","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H30 Br3 N3 O8 Pd S -","- C27 H30 Br3 N3 O8 Pd S -","- C54 H60 Br6 N6 O16 Pd2 S2 -","2","1","","Atsushi Kobayashi; Masa-aki Dosen; Mee Chang; Kiyohiko Nakajima; Shin-ichiro Noro; Masako Kato","Synthesis of Metal-Hydrazone Complexes and Vapochromic Behavior of Their Hydrogen-Bonded Proton-Transfer Assemblies","Journal of the American Chemical Society","2010","132","","15286","15298","10.1021/ja1063444","","","0.7107","MoKα","","","0.0469","","","","0.1266","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103397","40.443","0.008","8.8478","0.0015","21.617","0.004","90","","117.682","0.0005","90","","6850","2","110.1","","110.1","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Br4 N6 O4 Pd2 S2 -","- C32 H26 Br4 N6 O4 Pd2 S2 -","- C256 H208 Br32 N48 O32 Pd16 S16 -","8","1","","Atsushi Kobayashi; Masa-aki Dosen; Mee Chang; Kiyohiko Nakajima; Shin-ichiro Noro; Masako Kato","Synthesis of Metal-Hydrazone Complexes and Vapochromic Behavior of Their Hydrogen-Bonded Proton-Transfer Assemblies","Journal of the American Chemical Society","2010","132","","15286","15298","10.1021/ja1063444","","","0.7107","MoKα","","","0.0338","","","","0.0758","","","","","","0.967","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103398","40.506","0.009","8.8629","0.0016","21.647","0.005","90","0.0005","117.653","0.0008","90","0.0005","6884","3","150.1","","150.1","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Br4 N6 O4 Pd2 S2 -","- C32 H26 Br4 N6 O4 Pd2 S2 -","- C256 H208 Br32 N48 O32 Pd16 S16 -","8","1","","Atsushi Kobayashi; Masa-aki Dosen; Mee Chang; Kiyohiko Nakajima; Shin-ichiro Noro; Masako Kato","Synthesis of Metal-Hydrazone Complexes and Vapochromic Behavior of Their Hydrogen-Bonded Proton-Transfer Assemblies","Journal of the American Chemical Society","2010","132","","15286","15298","10.1021/ja1063444","","","0.7107","MoKα","","","0.0356","","","","0.0836","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103399","40.66","0.02","8.883","0.004","21.737","0.011","90","","117.619","0.0018","90","","6956","6","250.1","","250.1","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Br4 N6 O4 Pd2 S2 -","- C32 H26 Br4 N6 O4 Pd2 S2 -","- C256 H208 Br32 N48 O32 Pd16 S16 -","8","1","","Atsushi Kobayashi; Masa-aki Dosen; Mee Chang; Kiyohiko Nakajima; Shin-ichiro Noro; Masako Kato","Synthesis of Metal-Hydrazone Complexes and Vapochromic Behavior of Their Hydrogen-Bonded Proton-Transfer Assemblies","Journal of the American Chemical Society","2010","132","","15286","15298","10.1021/ja1063444","","","0.7107","MoKα","","","0.0437","","","","0.1079","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103400","13.98","0.004","4.8149","0.0013","42.22","0.012","90","0.0007","98.1321","0.0008","90","0.0007","2813.3","1.4","150.1","","150.1","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Br4 N4 O6 Pd S -","- C24 H17.51 Br4 N4 O6 Pd S -","- C96 H70.04 Br16 N16 O24 Pd4 S4 -","4","1","","Atsushi Kobayashi; Masa-aki Dosen; Mee Chang; Kiyohiko Nakajima; Shin-ichiro Noro; Masako Kato","Synthesis of Metal-Hydrazone Complexes and Vapochromic Behavior of Their Hydrogen-Bonded Proton-Transfer Assemblies","Journal of the American Chemical Society","2010","132","","15286","15298","10.1021/ja1063444","","","0.7107","MoKα","","","0.0384","","","","0.067","","","","","","0.857","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103401","10.518","0.002","10.518","0.002","39.449","0.009","90","","90","","90","","4364.2","1.5","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C34 H40 Br2 N6 O13 S2 -","- C34 H40 Br2 N6 O13 S2 -","- C136 H160 Br8 N24 O52 S8 -","4","0.5","","Xianxing Jiang; Yiming Cao; Yiqing Wang; Luping Liu; Fangfang Shen; Rui Wang","A Unique Approach to the Concise Synthesis of Highly Optically Active Spirooxazolines and the Discovery of a More Potent Oxindole-Type Phytoalexin Analogue","Journal of the American Chemical Society","2010","132","","15328","15333","10.1021/ja106349m","","","0.71073","MoKα","","0.2007","0.0924","","","0.2399","0.3173","","","","","","0.975","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103402","19.1703","0.0002","9.7168","0.0001","39.0199","0.0006","90","","115.416","0.001","90","","6564.92","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H55 N3 O2 Zr -","- C33 H55 N3 O2 Zr -","- C264 H440 N24 O16 Zr8 -","8","2","","Laura E. N. Allan; Guy J. Clarkson; David J. Fox; Andrew L. Gott; Peter Scott","Mechanism of Catalytic Cyclohydroamination by Zirconium Salicyloxazoline Complexes","Journal of the American Chemical Society","2010","132","","15308","15320","10.1021/ja106588m","","","0.71073","MoKα","","0.0626","0.0425","","","0.086","0.0903","","","","","","1.017","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103403","13.046","0.0008","14.4943","0.0009","17.9894","0.0012","66.648","0.003","89.161","0.003","65.823","0.003","2804.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H81 Hf2 N4 O4 Si2 -","- C55 H81 Hf2 N4 O4 Si2 -","- C110 H162 Hf4 N8 O8 Si4 -","2","1","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Functionalization of Hafnium Oxamidide Complexes Prepared from CO-Induced N2 Cleavage","Journal of the American Chemical Society","2010","132","","15340","15350","10.1021/ja106848y","","","0.71073","MoKα","","0.0332","0.0227","","","0.0485","0.0529","","","","","","1.029","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103404","12.0535","0.0004","12.2029","0.0005","19.7494","0.0008","93.492","0.002","93.53","0.002","108.196","0.002","2744.54","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H68 Hf2 N2 O6 Si2 -","- C51 H68 Hf2 N2 O6 Si2 -","- C102 H136 Hf4 N4 O12 Si4 -","2","1","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Functionalization of Hafnium Oxamidide Complexes Prepared from CO-Induced N2 Cleavage","Journal of the American Chemical Society","2010","132","","15340","15350","10.1021/ja106848y","","","0.71073","MoKα","","0.0407","0.0274","","","0.0615","0.065","","","","","","1.016","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103405","9.5359","0.0005","24.7208","0.0011","10.0763","0.0005","90","","109.167","0.001","90","","2243.66","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20.92 H30 Hf I1.08 N0.92 O0.92 Si -","- C20.9206 H30 Hf I1.0794 N0.9206 O0.9206 Si -","- C83.6824 H120 Hf4 I4.3176 N3.6824 O3.6824 Si4 -","4","1","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Functionalization of Hafnium Oxamidide Complexes Prepared from CO-Induced N2 Cleavage","Journal of the American Chemical Society","2010","132","","15340","15350","10.1021/ja106848y","","","0.71073","MoKα","","0.0303","0.0265","","","0.0641","0.0656","","","","","","1.027","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103406","17.9895","0.0012","14.7281","0.001","16.9414","0.0011","90","","117.545","0.002","90","","3979.8","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 Hf2 I2 N2 O2 -","- C40 H58 Hf2 I2 N2 O2 -","- C160 H232 Hf8 I8 N8 O8 -","4","1","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Functionalization of Hafnium Oxamidide Complexes Prepared from CO-Induced N2 Cleavage","Journal of the American Chemical Society","2010","132","","15340","15350","10.1021/ja106848y","","","0.71073","MoKα","","0.0651","0.0522","","","0.1403","0.1514","","","","","","1.066","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103407","10.3897","0.0005","16.7816","0.0008","13.2336","0.0005","90","","91.078","0.001","90","","2306.95","0.18","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 Hf2 N2 O2 Si2 -","- C50 H68 Hf2 N2 O2 Si2 -","- C100 H136 Hf4 N4 O4 Si4 -","2","0.5","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Functionalization of Hafnium Oxamidide Complexes Prepared from CO-Induced N2 Cleavage","Journal of the American Chemical Society","2010","132","","15340","15350","10.1021/ja106848y","","","0.71073","MoKα","","0.0593","0.038","","","0.085","0.0939","","","","","","1.037","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103408","10.6093","0.0006","10.9456","0.0008","20.9242","0.0013","90","","94.074","0.005","90","","2423.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 N O2 -","- C27 H33 N O2 -","- C108 H132 N4 O8 -","4","1","","Martin Breugst; Herbert Mayr","Ambident Reactivities of Pyridone Anions","Journal of the American Chemical Society","2010","132","","15380","15389","10.1021/ja106962u","","","0.71073","MoKα","","0.1672","0.0563","","","0.0835","0.1005","","","","","","0.776","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103409","29.6688","0.0005","29.6688","0.0005","72.7125","0.0011","90","","90","","120","","55429.3","1.6","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C192 Cl6 Mn6 N12 O38 Zn8 -","- C192 Cl6 Mn6 N12 O38 Zn8 -","- C1152 Cl36 Mn36 N72 O228 Zn48 -","6","0.333333","","Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin","Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes","Journal of the American Chemical Society","2010","132","","15390","15398","10.1021/ja1069773","","","1.54178","CuKα","","0.2226","0.1484","","","0.376","0.4163","","","","","","1.19","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103410","29.585","0.0005","29.585","0.0005","72.4624","0.0011","90","","90","","120","","54927.1","1.6","293","2","293","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C180 Cl6 Mn6 N12 O38 Zn8 -","- C180 Cl6 Mn6 N12 O38 Zn8 -","- C540 Cl18 Mn18 N36 O114 Zn24 -","3","0.333333","","Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin","Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes","Journal of the American Chemical Society","2010","132","","15390","15398","10.1021/ja1069773","","","1.54178","CuKα","","0.1257","0.0969","","","0.2318","0.2457","","","","","","1.061","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103411","35.8652","0.0019","35.8652","0.0019","87.761","0.008","90","","90","","120","","97764","12","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C204 Cl6 Mn6 N12 O38 Zn8 -","- C204 Cl6 Mn6 N12 O38 Zn8 -","- C1224 Cl36 Mn36 N72 O228 Zn48 -","6","0.333333","","Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin","Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes","Journal of the American Chemical Society","2010","132","","15390","15398","10.1021/ja1069773","","","1.54178","CuKα","","0.1908","0.1271","","","0.2776","0.3102","","","","","","1.149","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103412","35.884","0.0003","35.884","0.0003","87.911","0.002","90","","90","","120","","98034","3","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C204 Cl6 Mn6 N12 O38 Zn8 -","- C204 Cl6 Mn6 N12 O38 Zn8 -","- C612 Cl18 Mn18 N36 O114 Zn24 -","3","0.333333","","Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin","Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes","Journal of the American Chemical Society","2010","132","","15390","15398","10.1021/ja1069773","","","1.54178","CuKα","","0.2022","0.1201","","","0.2983","0.3473","","","","","","0.837","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103413","41.9263","0.0008","41.9263","0.0008","100.286","0.004","90","","90","","120","","152667","7","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C252 Cl6 Mn6 N12 O38 Zn8 -","- C252 Cl6 Mn6 N12 O38 Zn8 -","- C2268 Cl54 Mn54 N108 O342 Zn72 -","9","1","","Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin","Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes","Journal of the American Chemical Society","2010","132","","15390","15398","10.1021/ja1069773","","","1.54178","CuKα","","0.2239","0.1659","","","0.3668","0.3937","","","","","","1.19","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103414","10.062","0.0014","16.959","0.002","11.5926","0.0016","90","","94.095","0.002","90","","1973.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H66 N Ni P2 -","- C42 H66 N Ni P2 -","- C84 H132 N2 Ni2 P4 -","2","1","","Vlad M. Iluc; Gregory L. Hillhouse","Hydrogen-Atom Abstraction from Ni(I) Phosphido and Amido Complexes Gives Phosphinidene and Imide Ligands","Journal of the American Chemical Society","2010","132","","15148","15150","10.1021/ja107115q","","","0.71073","MoKα","","0.0424","0.0403","","","0.0955","0.0965","","","","","","1.01","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103415","10.803","0.002","20.155","0.004","18.138","0.004","90","","93.214","0.004","90","","3943.1","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H65 N Ni P2 -","- C42 H65 N Ni P2 -","- C168 H260 N4 Ni4 P8 -","4","1","","Vlad M. Iluc; Gregory L. Hillhouse","Hydrogen-Atom Abstraction from Ni(I) Phosphido and Amido Complexes Gives Phosphinidene and Imide Ligands","Journal of the American Chemical Society","2010","132","","15148","15150","10.1021/ja107115q","","","0.71073","MoKα","","0.0478","0.0408","","","0.1042","0.108","","","","","","1.039","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103416","17.0288","0.0004","10.595","0.0002","20.455","0.0004","90","","91.0273","0.0008","90","","3689.9","0.13","173.1","","173.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10.5 H26 I2 Ir N3 O0.5 -","- C10.5 H25.5 I2 Ir N3 O0.5 -","- C84 H204 I16 Ir8 N24 O4 -","8","2","","Ryoko Kawahara; Ken-ichi Fujita; Ryohei Yamaguchi","Multialkylation of Aqueous Ammonia with Alcohols Catalyzed by Water-Soluble Cp*Ir-Ammine Complexes","Journal of the American Chemical Society","2010","132","","15108","15111","10.1021/ja107274w","","","0.71075","MoKα","","","0.032","","","","0.0318","","","","","","0.904","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103417","16.8901","0.0002","27.588","0.0004","36.4428","0.0005","90","","102.393","0.001","90","","16585.4","0.4","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C122 H212 Co Cr7 F8 N O36 -","- C122 H212 Co1.04 Cr7.04 F8 N O36 -","- C488 H848 Co4.16 Cr28.16 F32 N4 O144 -","4","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.71073","MoKα","","0.2002","0.1125","","","0.2625","0.3132","","","","","","1.058","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103418","16.8712","0.0003","27.5463","0.0004","36.476","0.0007","90","","102.254","0.001","90","","16565.6","0.5","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C122 H212 Cr8 F8 N O36 -","- C122 H212 Cr8 F8 N O36 -","- C488 H848 Cr32 F32 N4 O144 -","4","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.71073","MoKα","","0.2508","0.1074","","","0.2171","0.265","","","","","","1.18","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103419","18.7556","0.0007","29.0775","0.0011","28.6023","0.0014","90","","100.79","0.002","90","","15322.9","1.1","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C122 H212 Cr7 F8 Mn N O36 -","- C122 H212 Cr7 F8 Mn N O36 -","- C488 H848 Cr28 F32 Mn4 N4 O144 -","4","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.71073","MoKα","","0.2775","0.1071","","","0.2052","0.2691","","","","","","1.107","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103420","18.745","0.0011","29.0923","0.0013","28.525","0.0012","90","","100.458","0.005","90","","15297.3","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C122 H212 Cr7 Cu F8 N O36 -","- C122 H212 Cr7.04 Cu1.04 F8 N O36 -","- C488 H848 Cr28.16 Cu4.16 F32 N4 O144 -","4","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","","0.71073","MoKα","","0.127","0.0778","","","0.2125","0.2358","","","","","","0.978","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103421","29.828","0.0009","27.8513","0.0006","32.3305","0.001","90","","90","","90","","26858.5","1.3","150","2","150","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C107 H192 Cr7 F8 Fe N O35 -","- C107 H192.001 Cr7.04 F8 Fe1.04 N O35 -","- C856.004 H1536.01 Cr56.32 F64 Fe8.32 N8 O280 -","8","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.71073","MoKα","","0.2407","0.1114","","","0.1927","0.244","","","","","","1.228","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103422","16.5136","0.0005","31.3861","0.0007","28.4164","0.0009","90","","94.6221","0.001","90","","14680.3","0.7","100","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C108 H202 Co Cr7 F8 N3 O36.5 -","- C108 H202 Co Cr7 F8 N3 O36.5 -","- C432 H808 Co4 Cr28 F32 N12 O146 -","4","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.71073","MoKα","","0.1826","0.1071","","","0.2301","0.2772","","","","","","1.133","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103423","16.4959","0.0008","31.4557","0.0015","28.2556","0.0013","90","","94.122","0.003","90","","14623.6","1.2","90","2","90","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C107 H203.25 Cr7 F8 N3 Ni O37.25 -","- C107.076 H200.152 Cr7 F8 N3 Ni O37.192 -","- C428.304 H800.608 Cr28 F32 N12 Ni4 O148.768 -","4","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.7749","synchrotron","","0.0871","0.0843","","","0.2063","0.2089","","","","","","1.127","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103424","16.5354","0.0004","31.3895","0.0006","28.3451","0.0007","90","","94.254","0.001","90","","14671.7","0.6","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C105 H196 Cr7 F8 Fe N3 O38 -","- C105 H196 Cr7 F8 Fe N3 O38 -","- C420 H784 Cr28 F32 Fe4 N12 O152 -","4","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.71073","MoKα","","0.1955","0.1107","","","0.2499","0.2862","","","","","","1.244","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103425","16.4713","0.0002","31.6375","0.0004","28.1919","0.0005","90","","94.54","0.001","90","","14645","0.4","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C110.5 H207.5 Cr7 F8 Mn N3 O37 -","- C110.7 H207.4 Cr7.04 F8 Mn1.04 N3 O37.019 -","- C442.8 H829.6 Cr28.16 F32 Mn4.16 N12 O148.076 -","4","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.71073","MoKα","","0.1405","0.0854","","","0.1962","0.2346","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103426","16.8601","0.0002","32.0521","0.0004","28.403","0.0005","90","","94.249","0.001","90","","15306.8","0.4","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C106.5 H200.5 Cr7 Cu F8 N3 O36.5 -","- C106.5 H199 Cr7 Cu F8 N3 O36.5 -","- C426 H796 Cr28 Cu4 F32 N12 O146 -","4","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.71073","MoKα","","0.15","0.091","","","0.2052","0.2423","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103427","16.5125","0.0002","31.3755","0.0004","28.3801","0.0004","90","","94.644","0.001","90","","14655.1","0.3","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C107.25 H200.5 Cr7 F8 N3 O36.5 Zn -","- C108.036 H202.072 Cr7.04 F8 N3 O36.738 Zn1.04 -","- C432.144 H808.288 Cr28.16 F32 N12 O146.952 Zn4.16 -","4","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.71073","MoKα","","0.1105","0.0926","","","0.217","0.2306","","","","","","1.096","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103428","16.8642","0.0002","32.2599","0.0004","28.2099","0.0005","90","","93.79","0.001","90","","15313.7","0.4","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C106.5 H199 Cd Cr7 F8 N3 O36 -","- C106.5 H199 Cd Cr7 F8 N3 O36 -","- C426 H796 Cd4 Cr28 F32 N12 O144 -","4","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.71073","MoKα","","0.1422","0.0877","","","0.2014","0.2391","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103429","70.178","0.004","31.5931","0.0018","31.206","0.002","90","","90","","90","","69188","7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C133 H235 Co Cr7 F8 N2 O38 -","- C133 H235 Co1.04 Cr7.04 F8 N2 O38 -","- C2128 H3760 Co16.64 Cr112.64 F128 N32 O608 -","16","2","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","","0.71073","MoKα","","0.2248","0.1447","","","0.348","0.4002","","","","","","1.261","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103430","14.294","0.0008","13.8238","0.0007","35.2329","0.0017","90","","90","","90","","6961.9","0.6","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H25 N O W -","- C19 H25 N O W -","- C304 H400 N16 O16 W16 -","16","2","","Rhett A. Baillie; Tommy Tran; Michelle E. Thibault; Peter Legzdins","A Beneficial Kinetic Effect of an η5-C5Me4H Ligand","Journal of the American Chemical Society","2010","132","","15160","15161","10.1021/ja107834g","","","0.71073","MoKα","","0.0287","0.0253","","","0.0499","0.0508","","","","","","1.287","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103431","8.4341","0.0009","8.4965","0.0009","14.4435","0.0015","85.138","0.005","88.498","0.005","61.891","0.004","909.55","0.17","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H27 N O W -","- C20 H27 N O W -","- C40 H54 N2 O2 W2 -","2","1","","Rhett A. Baillie; Tommy Tran; Michelle E. Thibault; Peter Legzdins","A Beneficial Kinetic Effect of an η5-C5Me4H Ligand","Journal of the American Chemical Society","2010","132","","15160","15161","10.1021/ja107834g","","","0.71073","MoKα","","0.0397","0.0377","","","0.0872","0.0884","","","","","","1.226","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103432","9.3285","0.0006","15.5488","0.0009","25.2601","0.0016","90","","90","","90","","3663.9","0.4","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H27 N O W -","- C20 H27 N O W -","- C160 H216 N8 O8 W8 -","8","1","","Rhett A. Baillie; Tommy Tran; Michelle E. Thibault; Peter Legzdins","A Beneficial Kinetic Effect of an η5-C5Me4H Ligand","Journal of the American Chemical Society","2010","132","","15160","15161","10.1021/ja107834g","","","0.71073","MoKα","","0.0415","0.027","","","0.0589","0.0646","","","","","","1.01","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103433","6.6773","0.0003","7.5444","0.0003","24.3301","0.001","90","","90","","90","","1225.66","0.09","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Cl N O3 -","- C12 H10 Cl N O3 -","- C48 H40 Cl4 N4 O12 -","4","1","","Yun-Lin Liu; Bo-Lun Wang; Jun-Jie Cao; Long Chen; Yong-Xue Zhang; Chao Wang; Jian Zhou","Organocatalytic Asymmetric Synthesis of Substituted 3-Hydroxy-2-oxindoles via Morita-Baylis-Hillman Reaction","Journal of the American Chemical Society","2010","132","","15176","15178","10.1021/ja107858z","","","0.71073","MoKα","","0.04","0.0384","","","0.0942","0.0958","","","","","","1.051","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103434","11.2466","0.0002","21.7748","0.0003","13.4453","0.0002","90","","105.571","0.0009","90","","3171.8","0.09","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H104 Si2 -","- C76 H104 Si2 -","- C152 H208 Si4 -","2","0.5","","Megumi Kobayashi; Tsukasa Matsuo; Takeo Fukunaga; Daisuke Hashizume; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","Air-Stable, Room-Temperature Emissive Disilenes with π-Extended Aromatic Groups","Journal of the American Chemical Society","2010","132","","15162","15163","10.1021/ja108094m","","","0.71073","MoKα","","0.0754","0.0669","","","0.1612","0.1681","","","","","","1.028","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103435","10.937","0.003","11.205","0.003","14.946","0.004","81.849","0.009","78.313","0.01","86.656","0.012","1774.7","0.8","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C86 H116 Si2 -","- C86 H116 Si2 -","- C86 H116 Si2 -","1","0.5","","Megumi Kobayashi; Tsukasa Matsuo; Takeo Fukunaga; Daisuke Hashizume; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","Air-Stable, Room-Temperature Emissive Disilenes with π-Extended Aromatic Groups","Journal of the American Chemical Society","2010","132","","15162","15163","10.1021/ja108094m","","","0.71073","MoKα","","0.1168","0.0801","","","0.1709","0.1926","","","","","","1.105","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103436","11.4032","0.0011","15.5339","0.0016","21.616","0.002","102.01","0.005","94.551","0.005","109.412","0.006","3486.2","0.6","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H62 Cl4 O12 P2 -","- C76 H62 Cl4 O12 P2 -","- C152 H124 Cl8 O24 P4 -","2","1","","Steven Harthong; Béatrice Dubessy; Jérôme Vachon; Christophe Aronica; Jean-Christophe Mulatier; Jean-Pierre Dutasta","Restricted Guest Tumbling in Phosphorylated Self-Assembled Capsules","Journal of the American Chemical Society","2010","132","","15637","15643","10.1021/ja104388t","","","0.71073","MoKα","","0.1955","0.1439","","0.1983","0.1486","0.1418","","","","","","1.1131","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103437","14.634","0.005","15.22","0.005","19.417","0.005","108.272","0.005","100.008","0.005","106.075","0.005","3782","2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C75.5 H67 I0.5 N0.5 O10 P2 -","- C75.5 H67 I0.5 N0.5 O10 P2 -","- C151 H134 I N O20 P4 -","2","1","","Steven Harthong; Béatrice Dubessy; Jérôme Vachon; Christophe Aronica; Jean-Christophe Mulatier; Jean-Pierre Dutasta","Restricted Guest Tumbling in Phosphorylated Self-Assembled Capsules","Journal of the American Chemical Society","2010","132","","15637","15643","10.1021/ja104388t","","","0.71069","MoKα","","0.1734","0.1236","","0.2419","0.1593","0.1593","","","","","","1.1906","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103438","7.4847","0.0016","7.9448","0.0017","23.465","0.005","90","","90","","90","","1395.3","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 Br F6 O2 -","- C13 H9 Br F6 O2 -","- C52 H36 Br4 F24 O8 -","4","1","","Ling Zhou; Chong Kiat Tan; Xiaojian Jiang; Feng Chen; Ying-Yeung Yeung","Asymmetric Bromolactonization Using Amino-thiocarbamate Catalyst","Journal of the American Chemical Society","2010","132","","15474","15476","10.1021/ja1048972","","","0.71073","MoKα","","0.0368","0.0322","","","0.0759","0.0773","","","","","","1.047","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103439","7.0374","0.0013","9.0419","0.0017","15.633","0.003","90","","90","","90","","994.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Br O2 -","- C9 H15 Br O2 -","- C36 H60 Br4 O8 -","4","1","","Ling Zhou; Chong Kiat Tan; Xiaojian Jiang; Feng Chen; Ying-Yeung Yeung","Asymmetric Bromolactonization Using Amino-thiocarbamate Catalyst","Journal of the American Chemical Society","2010","132","","15474","15476","10.1021/ja1048972","","","0.71073","MoKα","","0.0256","0.0241","","","0.0558","0.0563","","","","","","1.047","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103440","8.8346","0.0008","16.5865","0.0015","8.8592","0.0008","90","","98.22","0.002","90","","1284.8","0.2","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H31 N3 O3 S -","- C28 H31 N3 O3 S -","- C56 H62 N6 O6 S2 -","2","1","","Ling Zhou; Chong Kiat Tan; Xiaojian Jiang; Feng Chen; Ying-Yeung Yeung","Asymmetric Bromolactonization Using Amino-thiocarbamate Catalyst","Journal of the American Chemical Society","2010","132","","15474","15476","10.1021/ja1048972","","","0.71073","MoKα","","0.0623","0.0587","","","0.1502","0.1536","","","","","","1.093","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103441","6.121","0.002","14.951","0.005","23.343","0.005","90","","90","","90","","2136.2","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H0.25 O7.5 -","- C21 H26 O8 -","- C84 H104 O32 -","4","1","","Mélissa Boultadakis-Arapinis; Pascale Lemoine; Serge Turcaud; Laurent Micouin; Thomas Lecourt","Rh(II) Carbene-Promoted Activation of the Anomeric C-H Bond of Carbohydrates: A Stereospecific Entry toward α- and β-Ketopyranosides","Journal of the American Chemical Society","2010","132","","15477","15479","10.1021/ja1054065","","","0.71073","MoKα","","0.1628","0.0411","","","0.0776","0.1038","","","","","","0.899","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103442","10.8813","0.0015","9.4783","0.001","13.659","0.004","90","","111.143","0.015","90","","1313.9","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O10 -","- C25 H34 O10 -","- C50 H68 O20 -","2","1","","Mélissa Boultadakis-Arapinis; Pascale Lemoine; Serge Turcaud; Laurent Micouin; Thomas Lecourt","Rh(II) Carbene-Promoted Activation of the Anomeric C-H Bond of Carbohydrates: A Stereospecific Entry toward α- and β-Ketopyranosides","Journal of the American Chemical Society","2010","132","","15477","15479","10.1021/ja1054065","","","0.71073","MoKα","","0.1376","0.0571","","","0.1167","0.1403","","","","","","0.938","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103443","9.6889","0.0004","10.0184","0.0003","11.8966","0.0004","90","","90","","90","","1154.77","0.07","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- Be2 Na5 O57 Si18 -","- Be2.64 Na5.272 O52.5 Si17.364 -","- Be2.64 Na5.272 O52.5 Si17.364 -","1","0.25","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.0819","0.075","","","0.2103","0.2191","","","","","","1.091","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103444","9.6631","0.0004","12.2031","0.0004","9.9913","0.0004","90","","90","","90","","1178.17","0.08","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- Be0.25 K0.5 O3.75 Si -","- Be2 K4 O26 Si8 -","- Be4 K8 O52 Si16 -","2","0.25","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.0346","0.0325","","","0.0818","0.0833","","","","","","1.137","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103445","13.3184","0.0002","13.3184","0.0002","13.3184","0.0002","90","","90","","90","","2362.41","0.06","293","2","293","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Be Na2 O14 Si5 -","- Be3.144 Na4.336 O28 Si8.856 -","- Be12.576 Na17.344 O112 Si35.424 -","4","0.0833333","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.0304","0.0274","","","0.0621","0.0638","","","","","","1.138","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103446","9.8276","0.0004","9.8276","0.0004","9.6372","0.0007","90","","90","","90","","930.78","0.09","293","2","293","2","","","","","","","","4","I -4","I -4","82","","","","- Be12 Na4 O4 Si4 -","- Be6.036 Na4 O16 Si5.964 -","- Be12.072 Na8 O32 Si11.928 -","2","0.25","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.0777","0.0723","","","0.189","0.1944","","","","","","1.118","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103447","13.8256","0.0003","13.8256","0.0003","9.7767","0.0002","90","","90","","90","","1868.79","0.07","293","2","293","2","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C0 H0 Be2 K2 O24 Si6 -","- C7 Be2.30933 K2.66667 O25.3467 Si8.35733 -","- C21 Be6.928 K8 O76.04 Si25.072 -","3","0.1875","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.0693","0.0618","","","","0.1665","","","","","","0.961","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103448","8.4812","0.0008","13.7542","0.0007","8.5138","0.0007","90","","109.015","0.003","90","","938.96","0.13","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C0 Be2 K2 Na0 O12 Si4 -","- Be1.34 K2.274 O16 Si6.66 -","- Be2.68 K4.548 O32 Si13.32 -","2","0.5","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.1037","0.0866","","","0.2402","0.2626","","","","","","1.041","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103449","12.7069","0.0009","13.2309","0.0007","13.9362","0.0008","90","","90","","90","","2343","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C0.4 Be1.6 K3.2 N0.4 O12 Si6.4 -","- C2.864 Be1.6 K3.128 N0.672 O16.768 Si6.4 -","- C14.32 Be8 K15.64 N3.36 O83.84 Si32 -","5","0.625","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.0973","0.1266","","","0.1574","0.1315","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103450","7.1255","0.0006","7.13","0.0006","15.5209","0.0009","90.315","0.005","90.117","0.005","90.006","0.004","788.52","0.1","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C0 H4 Be K O8 Si4 -","- C1.16667 Be0.666667 K1.11 O11.2333 Si4 -","- C3.5 Be2 K3.33 O33.7 Si12 -","3","3","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.1184","0.0981","","","","0.1509","","","","","","1.115","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103451","12.1773","0.0005","7.0903","0.0003","12.8804","0.0004","90","","104.209","0.002","90","","1078.08","0.07","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- Be H2 K2 O8 Si4 -","- Be2.624 H4 K6 O22 Si7.376 -","- Be5.248 H8 K12 O44 Si14.752 -","2","0.5","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.0644","0.0574","","","0.1282","0.1346","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103452","7.888","0.0012","8.9681","0.0012","13.264","0.002","87.389","0.007","77.692","0.008","85.503","0.007","913.5","0.2","103","0.1","103","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cl Ga N4 O8 -","- C16 H16 Cl Ga N4 O8 -","- C32 H32 Cl2 Ga2 N8 O16 -","2","1","","Eszter Boros; Cara L. Ferreira; Jacqueline F. Cawthray; Eric W. Price; Brian O. Patrick; Dennis W. Wester; Michael J. Adam; Chris Orvig","Acyclic Chelate with Ideal Properties for 68Ga PET Imaging Agent Elaboration","Journal of the American Chemical Society","2010","132","","15726","15733","10.1021/ja106399h","","","0.71073","MoKα","","0.0256","0.0214","","","0.0675","0.0875","","","","","","1.3","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103453","20.317","0.002","14.0298","0.0017","24.06","0.003","90","","98.966","0.002","90","","6774.3","1.4","90","0.1","90","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 Cl Ga N6 O13 -","- C31 H30 Cl Ga N6 O13 -","- C248 H240 Cl8 Ga8 N48 O104 -","8","2","","Eszter Boros; Cara L. Ferreira; Jacqueline F. Cawthray; Eric W. Price; Brian O. Patrick; Dennis W. Wester; Michael J. Adam; Chris Orvig","Acyclic Chelate with Ideal Properties for 68Ga PET Imaging Agent Elaboration","Journal of the American Chemical Society","2010","132","","15726","15733","10.1021/ja106399h","","","0.71073","MoKα","","0.1073","0.0588","","","0.1478","0.167","","","","","","0.958","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103454","24.6269","0.0002","14.3093","0.0002","26.7863","0.0002","90","","91.598","0.001","90","","9435.65","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H149 Mn Mo6 N4 O24 -","- C56 H86.6 Mn Mo6 N4 O24 -","- C224 H346.4 Mn4 Mo24 N16 O96 -","4","1","","Mali H. Rosnes; Chiara Musumeci; Chullikkattil P. Pradeep; Jennifer S. Mathieson; De-Liang Long; Yu-Fei Song; Bruno Pignataro; Richard Cogdell; Leroy Cronin","Assembly of Modular Asymmetric Organic-Inorganic Polyoxometalate Hybrids into Anisotropic Nanostructures","Journal of the American Chemical Society","2010","132","","15490","15492","10.1021/ja1066338","","","1.54184","CuKα","","0.1011","0.0766","","","0.247","0.263","","","","","","1.063","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103455","23.9788","0.0003","16.1403","0.0003","25.4293","0.0003","90","","99.83","0.002","90","","9697.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H160 Mn Mo6 N5 O24 -","- C75.8 H146.6 Mn Mo6 N4.2 O24 -","- C303.2 H586.4 Mn4 Mo24 N16.8 O96 -","4","1","","Mali H. Rosnes; Chiara Musumeci; Chullikkattil P. Pradeep; Jennifer S. Mathieson; De-Liang Long; Yu-Fei Song; Bruno Pignataro; Richard Cogdell; Leroy Cronin","Assembly of Modular Asymmetric Organic-Inorganic Polyoxometalate Hybrids into Anisotropic Nanostructures","Journal of the American Chemical Society","2010","132","","15490","15492","10.1021/ja1066338","","","1.54184","CuKα","","0.0802","0.0539","","","0.1406","0.1584","","","","","","1.04","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103456","51.168","0.005","10.0144","0.001","25.099","0.003","90","","90","","90","","12861","2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C47 H39.5 Cl6 O6.75 -","- C47 H38 Cl6 O6.75 -","- C564 H456 Cl72 O81 -","12","1.5","","Robert M. Fairchild; Akil I. Joseph; K. Travis Holman; Heather A. Fogarty; Thierry Brotin; Jean-Pierre Dutasta; Céline Boutin; Gaspard Huber; Patrick Berthault","A Water-Soluble Xe@cryptophane-111 Complex Exhibits Very High Thermodynamic Stability and a Peculiar 129Xe NMR Chemical Shift","Journal of the American Chemical Society","2010","132","","15505","15507","10.1021/ja1071515","","x-ray","0.71073","MoKα","","0.0702","0.0462","","","0.1074","0.1162","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103457","51.168","0.005","10.0144","0.001","25.099","0.003","90","","90","","90","","12861","2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C47 H38 Cl6 O6 -","- C47 H38 Cl6 O6 -","- C564 H456 Cl72 O72 -","12","1.5","","Robert M. Fairchild; Akil I. Joseph; K. Travis Holman; Heather A. Fogarty; Thierry Brotin; Jean-Pierre Dutasta; Céline Boutin; Gaspard Huber; Patrick Berthault","A Water-Soluble Xe@cryptophane-111 Complex Exhibits Very High Thermodynamic Stability and a Peculiar 129Xe NMR Chemical Shift","Journal of the American Chemical Society","2010","132","","15505","15507","10.1021/ja1071515","","x-ray","0.71073","MoKα","","0.0676","0.0468","","","0.1006","0.1087","","","","","","1.063","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103458","25.8474","0.0012","18.9252","0.0009","17.7103","0.0016","90","","125.01","","90","","7095.7","0.8","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C129 H158 F18 N9 O45 Ru6 S6 -","- C113 H128 F18 O27 Ru6 S6 -","- C226 H256 F36 O54 Ru12 S12 -","2","0.25","","Robert M. Fairchild; Akil I. Joseph; K. Travis Holman; Heather A. Fogarty; Thierry Brotin; Jean-Pierre Dutasta; Céline Boutin; Gaspard Huber; Patrick Berthault","A Water-Soluble Xe@cryptophane-111 Complex Exhibits Very High Thermodynamic Stability and a Peculiar 129Xe NMR Chemical Shift","Journal of the American Chemical Society","2010","132","","15505","15507","10.1021/ja1071515","","","0.71073","MoKα","","0.065","0.0587","","","0.1654","0.1717","","","","","","1.049","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103459","30.5806","0.0007","30.5806","0.0007","68.5594","0.0015","90","","90","","90","","64115","3","120","2","120","2","","","","","","","synthesis as described","4","I 41/a :2","-I 4ad","88","","CpFeMe5C60MeAr5","","- C181 H198 Fe Si5 -","- C146 H111 Fe Si5 -","- C2336 H1776 Fe16 Si80 -","16","1","","Chang-Zhi Li; Yutaka Matsuo; Eiichi Nakamura","Octupole-like Supramolecular Aggregates of Conical Iron Fullerene Complexes into a Three-Dimensional Liquid Crystalline Lattice","Journal of the American Chemical Society","2010","132","","15514","15515","10.1021/ja1073933","","","0.71075","MoKα","","0.2529","0.1418","","","0.3524","0.3835","","","","","","1.815","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103460","8.9439","0.0003","8.9439","0.0003","18.6755","0.0006","90","","90","","90","","1493.92","0.09","123","2","123","2","","","","","","","synthesis as described","5","I 4/m m m","-I 4 2","139","NiTetI2","","","- C24 H32 I2 N8 Ni -","- C24 I2 N8 Ni -","- C48 I4 N16 Ni2 -","2","0.0625","","Neil J. Findlay; Stuart R. Park; Franziska Schoenebeck; Elise Cahard; Sheng-ze Zhou; Leonard E. A. Berlouis; Mark D. Spicer; Tell Tuttle; John A. Murphy","Reductions of Challenging Organic Substrates by a Nickel Complex of a Noninnocent Crown Carbene Ligand","Journal of the American Chemical Society","2010","132","","15462","15464","10.1021/ja107703n","","x-ray","0.71073","MoKα","","0.0315","0.029","","","0.081","0.0824","","","","","","1.166","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103461","7.112","0.0001","12.9684","0.001","16.4161","0.0002","90","","90","","90","","1514.08","0.12","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O5 -","- C15 H18 N2 O5 -","- C60 H72 N8 O20 -","4","1","","Yuan-Qing Fang; Matthew M. Bio; Karl B. Hansen; Matthew S. Potter; Andrew Clausen","Magnesium Coordination-Directed N-Selective Stereospecific Alkylation of 2-Pyridones, Carbamates, and Amides Using α-Halocarboxylic Acids","Journal of the American Chemical Society","2010","132","","15525","15527","10.1021/ja107709w","","x-ray","1.54178","CuKα","","0.0262","0.0255","","","0.0626","0.0629","","","","","","0.983","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103462","5.4414","0.0002","9.7195","0.0005","16.8074","0.0006","90","","90","","90","","888.9","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Br N O3 -","- C8 H8 Br N O3 -","- C32 H32 Br4 N4 O12 -","4","1","","Yuan-Qing Fang; Matthew M. Bio; Karl B. Hansen; Matthew S. Potter; Andrew Clausen","Magnesium Coordination-Directed N-Selective Stereospecific Alkylation of 2-Pyridones, Carbamates, and Amides Using α-Halocarboxylic Acids","Journal of the American Chemical Society","2010","132","","15525","15527","10.1021/ja107709w","","x-ray","1.54178","CuKα","","0.0267","0.0264","","","0.0688","0.0689","","","","","","1.071","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103463","10.0655","0.0007","10.9316","0.0008","23.7249","0.0017","90","","90","","90","","2610.5","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H24 Br N O3 -","- C33 H24 Br N O3 -","- C132 H96 Br4 N4 O12 -","4","1","","Barry M. Trost; Lara C. Czabaniuk","Palladium-Catalyzed Asymmetric Benzylation of 3-Aryl Oxindoles","Journal of the American Chemical Society","2010","132","","15534","15536","10.1021/ja1079755","","","0.71073","MoKα","","0.0325","0.0258","","","0.0562","0.0579","","","","","","1.027","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103464","8.3125","0.0017","8.8541","0.0018","15.564","0.003","84.9","0.03","86.31","0.03","81.66","0.03","1127.4","0.4","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H35 B10 Li N2 O2 -","- C13 H35 B10 Li N2 O2 -","- C26 H70 B20 Li2 N4 O4 -","2","1","","Peter Dröse; Cristian G. Hrib; Frank T. Edelmann","Carboranylamidinates","Journal of the American Chemical Society","2010","132","","15540","15541","10.1021/ja108051u","","","0.71073","MoKα","","0.0615","0.045","","","0.1012","0.1084","","","","","","1.043","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103465","6.9667","0.0014","15.763","0.003","15.394","0.003","90","","99.95","0.03","90","","1665.1","0.6","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H26 B10 N2 -","- C9 H26 B10 N2 -","- C36 H104 B40 N8 -","4","1","","Peter Dröse; Cristian G. Hrib; Frank T. Edelmann","Carboranylamidinates","Journal of the American Chemical Society","2010","132","","15540","15541","10.1021/ja108051u","","","0.71073","MoKα","","0.1007","0.0729","","","0.1315","0.14","","","","","","1.184","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103466","22.79","0.005","7.8311","0.0016","19.215","0.004","90","","101.3","0.03","90","","3362.8","1.3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H48 B20 N4 Sn -","- C18 H50 B20 N4 Sn -","- C72 H200 B80 N16 Sn4 -","4","0.5","","Peter Dröse; Cristian G. Hrib; Frank T. Edelmann","Carboranylamidinates","Journal of the American Chemical Society","2010","132","","15540","15541","10.1021/ja108051u","","","0.71073","MoKα","","0.0493","0.0386","","","0.078","0.0806","","","","","","1.085","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103467","13.749","0.003","8.1504","0.0016","15.296","0.003","90","","103.1","0.03","90","","1669.5","0.6","133","2","133","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H50 B20 Cr N4 -","- C18 H50 B20 Cr N4 -","- C36 H100 B40 Cr2 N8 -","2","0.5","","Peter Dröse; Cristian G. Hrib; Frank T. Edelmann","Carboranylamidinates","Journal of the American Chemical Society","2010","132","","15540","15541","10.1021/ja108051u","","","0.71073","MoKα","","0.082","0.0621","","","0.128","0.136","","","","","","1.104","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103468","10.378","0.002","11.887","0.002","15.418","0.003","90","","103.29","0.03","90","","1851.1","0.6","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H50 B20 Cl2 Cr2 N4 -","- C18 H50 B20 Cl2 Cr2 N4 -","- C36 H100 B40 Cl4 Cr4 N8 -","2","0.5","","Peter Dröse; Cristian G. Hrib; Frank T. Edelmann","Carboranylamidinates","Journal of the American Chemical Society","2010","132","","15540","15541","10.1021/ja108051u","","","0.71073","MoKα","","0.049","0.0414","","","0.0896","0.0924","","","","","","1.208","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103469","18.571","0.009","30.944","0.016","47.85","0.02","83.515","0.006","87.051","0.006","89.237","0.006","27285","2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C366 H438 Au18 N97.5 O189.5 Pd12 -","- C366 H438 Au18 N97.626 O188.373 Pd12 -","- C732 H876 Au36 N195.252 O376.746 Pd24 -","2","1","","Takafumi Osuga; Takashi Murase; Kosuke Ono; Yoshihiro Yamauchi; Makoto Fujita","[mxn] Metal Ion Arrays Templated by Coordination Cages","Journal of the American Chemical Society","2010","132","","15553","15555","10.1021/ja108367j","","","0.71073","MoKα","","0.241","0.1331","","","0.2875","0.3523","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103470","14.5849","0.0011","16.2575","0.0012","18.6167","0.0014","83.672","0.001","77.027","0.001","67.087","0.001","3960.9","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H74 B3 K N6 O18 -","- C76 H74 B3 K N6 O18 -","- C152 H148 B6 K2 N12 O36 -","2","1","","Hiroshi Danjo; Kadzuya Hirata; Masanori Noda; Susumu Uchiyama; Kiichi Fukui; Masatoshi Kawahata; Isao Azumaya; Kentaro Yamaguchi; Toshifumi Miyazawa","Assembly Modulation by Adjusting Countercharges of Heterobimetallic Supramolecular Polymers Composed of Tris(spiroborate) Twin Bowls","Journal of the American Chemical Society","2010","132","","15556","15558","10.1021/ja1084964","","","0.71073","MoKα","","0.1845","0.1471","","","0.4174","0.4483","","","","","","1.792","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103471","14.1442","0.001","15.7549","0.0011","18.3915","0.0013","84.767","0.001","79.563","0.001","70.997","0.001","3808.6","0.5","150","","150","","","","","","","","","6","P 1","P 1","1","","","","- C157 H153 B6 Ba2 N13 O35 -","- C157 H153 B6 Ba2 N13 O35 -","- C157 H153 B6 Ba2 N13 O35 -","1","1","","Hiroshi Danjo; Kadzuya Hirata; Masanori Noda; Susumu Uchiyama; Kiichi Fukui; Masatoshi Kawahata; Isao Azumaya; Kentaro Yamaguchi; Toshifumi Miyazawa","Assembly Modulation by Adjusting Countercharges of Heterobimetallic Supramolecular Polymers Composed of Tris(spiroborate) Twin Bowls","Journal of the American Chemical Society","2010","132","","15556","15558","10.1021/ja1084964","","","0.71073","MoKα","","0.0653","0.0605","","","0.1792","0.1867","","","","","","1.034","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103472","14.907","0.003","22.538","0.005","33.355","0.007","90","","92.36","0.03","90","","11197","4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C127 H131 B3 Fe K N9 O16 -","- C127 H131 B3 Fe K N9 O16 -","- C508 H524 B12 Fe4 K4 N36 O64 -","4","1","","Hiroshi Danjo; Kadzuya Hirata; Masanori Noda; Susumu Uchiyama; Kiichi Fukui; Masatoshi Kawahata; Isao Azumaya; Kentaro Yamaguchi; Toshifumi Miyazawa","Assembly Modulation by Adjusting Countercharges of Heterobimetallic Supramolecular Polymers Composed of Tris(spiroborate) Twin Bowls","Journal of the American Chemical Society","2010","132","","15556","15558","10.1021/ja1084964","","","0.7","synchrotron","","0.0868","0.0744","","","0.24","0.2501","","","","","","1.958","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103473","11.4466","0.0019","5.1362","0.0009","15.956","0.003","90","","108.778","0.002","90","","888.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O8 V2 -","- C18 H18 O8 V2 -","- C36 H36 O16 V4 -","2","0.5","","Pabitra Baran Chatterjee; Anandalok Audhya; Subhajit Bhattacharya; Sk Md Towsif Abtab; Kisholoy Bhattacharya; Muktimoy Chaudhury","Single Crystal-to-Single Crystal Irreversible Transformation from a Discrete Vanadium(V)-Alcoholate to an Aldehydic-Vanadium(IV) Oligomer","Journal of the American Chemical Society","2010","132","","15842","15845","10.1021/ja103451j","","","0.71073","MoKα","","0.0543","0.0386","","","0.1056","0.1132","","","","","","1.089","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103474","11.451","0.002","5.152","0.0011","15.93","0.003","90","","108.564","0.002","90","","890.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O8 V2 -","- C18 H18 O8 V2 -","- C36 H36 O16 V4 -","2","0.5","","Pabitra Baran Chatterjee; Anandalok Audhya; Subhajit Bhattacharya; Sk Md Towsif Abtab; Kisholoy Bhattacharya; Muktimoy Chaudhury","Single Crystal-to-Single Crystal Irreversible Transformation from a Discrete Vanadium(V)-Alcoholate to an Aldehydic-Vanadium(IV) Oligomer","Journal of the American Chemical Society","2010","132","","15842","15845","10.1021/ja103451j","","","0.71073","MoKα","","0.0558","0.0401","","","0.1128","0.1237","","","","","","1.021","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103475","11.4291","0.0008","5.1473","0.0004","15.9034","0.0012","90","","108.513","0.002","90","","887.17","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O8 V2 -","- C18 H18 O8 V2 -","- C36 H36 O16 V4 -","2","0.5","","Pabitra Baran Chatterjee; Anandalok Audhya; Subhajit Bhattacharya; Sk Md Towsif Abtab; Kisholoy Bhattacharya; Muktimoy Chaudhury","Single Crystal-to-Single Crystal Irreversible Transformation from a Discrete Vanadium(V)-Alcoholate to an Aldehydic-Vanadium(IV) Oligomer","Journal of the American Chemical Society","2010","132","","15842","15845","10.1021/ja103451j","","","0.71073","MoKα","","0.0533","0.0407","","","0.1181","0.1276","","","","","","1","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103476","11.4179","0.0017","5.1652","0.0008","15.935","0.002","90","","108.046","0.004","90","","893.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O8 V2 -","- C18 H16 O8 V2 -","- C36 H32 O16 V4 -","2","0.5","","Pabitra Baran Chatterjee; Anandalok Audhya; Subhajit Bhattacharya; Sk Md Towsif Abtab; Kisholoy Bhattacharya; Muktimoy Chaudhury","Single Crystal-to-Single Crystal Irreversible Transformation from a Discrete Vanadium(V)-Alcoholate to an Aldehydic-Vanadium(IV) Oligomer","Journal of the American Chemical Society","2010","132","","15842","15845","10.1021/ja103451j","","","0.71073","MoKα","","0.0891","0.062","","","0.1655","0.1866","","","","","","1.336","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103477","11.4247","0.0015","5.1604","0.0007","15.958","0.002","90","","108.061","0.004","90","","894.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O8 V2 -","- C18 H16 O8 V2 -","- C36 H32 O16 V4 -","2","0.5","","Pabitra Baran Chatterjee; Anandalok Audhya; Subhajit Bhattacharya; Sk Md Towsif Abtab; Kisholoy Bhattacharya; Muktimoy Chaudhury","Single Crystal-to-Single Crystal Irreversible Transformation from a Discrete Vanadium(V)-Alcoholate to an Aldehydic-Vanadium(IV) Oligomer","Journal of the American Chemical Society","2010","132","","15842","15845","10.1021/ja103451j","","","0.71073","MoKα","","0.0871","0.0667","","","0.1831","0.1967","","","","","","1.492","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103478","11.4308","0.0016","5.1524","0.0008","15.995","0.002","90","","108.073","0.004","90","","895.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O8 V2 -","- C18 H16 O8 V2 -","- C36 H32 O16 V4 -","2","0.5","","Pabitra Baran Chatterjee; Anandalok Audhya; Subhajit Bhattacharya; Sk Md Towsif Abtab; Kisholoy Bhattacharya; Muktimoy Chaudhury","Single Crystal-to-Single Crystal Irreversible Transformation from a Discrete Vanadium(V)-Alcoholate to an Aldehydic-Vanadium(IV) Oligomer","Journal of the American Chemical Society","2010","132","","15842","15845","10.1021/ja103451j","","","0.71073","MoKα","","0.1194","0.0893","","","0.2746","0.311","","","","","","1.092","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103479","11.4295","0.0014","5.1454","0.0006","16.0003","0.0019","90","","108.084","0.003","90","","894.49","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O8 V2 -","- C18 H16 O8 V2 -","- C36 H32 O16 V4 -","2","0.5","","Pabitra Baran Chatterjee; Anandalok Audhya; Subhajit Bhattacharya; Sk Md Towsif Abtab; Kisholoy Bhattacharya; Muktimoy Chaudhury","Single Crystal-to-Single Crystal Irreversible Transformation from a Discrete Vanadium(V)-Alcoholate to an Aldehydic-Vanadium(IV) Oligomer","Journal of the American Chemical Society","2010","132","","15842","15845","10.1021/ja103451j","","","0.71073","MoKα","","0.1166","0.0924","","","0.2796","0.3185","","","","","","1.061","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103480","24.538","0.003","28.186","0.003","18.9595","0.0019","90","","129.526","0.001","90","","10114.5","1.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H76 Cl4 Cu F6 N4 P -","- C110 H76 Cl4 Cu F6 N4 P -","- C440 H304 Cl16 Cu4 F24 N16 P4 -","4","0.5","","Sanaz Kabehie; Mei Xue; Adam Z. Stieg; Monty Liong; Kang L. Wang; Jeffrey I. Zink","Heteroleptic Copper Switches","Journal of the American Chemical Society","2010","132","","15987","15996","10.1021/ja103937v","","","0.71073","MoKα","","0.0822","0.0574","","","0.1683","0.1807","","","","","","1.034","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103481","17.387","0.0004","10.5216","0.0002","17.295","0.0004","90","","96.608","0.001","90","","3142.91","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","GdDdtc3Bipy","","","- C25 H38 Gd N5 S6 -","- C25 H38 Gd N5 S6 -","- C100 H152 Gd4 N20 S24 -","4","1","","Rachel S. Selinsky; Jae Hyo Han; Elvin A. Morales Pérez; Ilia A. Guzei; Song Jin","Synthesis and Magnetic Properties of Gd Doped EuS Nanocrystals with Enhanced Curie Temperatures","Journal of the American Chemical Society","2010","132","","15997","16005","10.1021/ja104314c","","","1.54178","Cu-Kα","","0.0231","0.0227","","","0.0587","0.059","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103482","18.2696","0.0016","17.3678","0.0015","26.635","0.002","90","","90","","90","","8451.4","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","EuPytc3Bipy","","","- C28 H35 Cl9 Eu N5 S6 -","- C28 H35 Cl9 Eu N5 S6 -","- C224 H280 Cl72 Eu8 N40 S48 -","8","1","","Rachel S. Selinsky; Jae Hyo Han; Elvin A. Morales Pérez; Ilia A. Guzei; Song Jin","Synthesis and Magnetic Properties of Gd Doped EuS Nanocrystals with Enhanced Curie Temperatures","Journal of the American Chemical Society","2010","132","","15997","16005","10.1021/ja104314c","","","0.71073","Mo-Kα","","0.0626","0.0363","","","0.0903","0.1093","","","","","","0.962","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103483","17.4375","0.0005","15.3706","0.0004","13.7483","0.0003","90","","92.703","0.002","90","","3680.79","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","EuPipdc3Bipy","","","- C29 H39 Cl3 Eu N5 S6 -","- C29 H39 Cl3 Eu N5 S6 -","- C116 H156 Cl12 Eu4 N20 S24 -","4","1","","Rachel S. Selinsky; Jae Hyo Han; Elvin A. Morales Pérez; Ilia A. Guzei; Song Jin","Synthesis and Magnetic Properties of Gd Doped EuS Nanocrystals with Enhanced Curie Temperatures","Journal of the American Chemical Society","2010","132","","15997","16005","10.1021/ja104314c","","","1.54178","Cu-Kα","","0.0612","0.0511","","","0.1232","0.1356","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103484","10.9505","0.0003","13.0006","0.0004","18.4281","0.0005","99.158","0.002","95.478","0.002","103.997","0.002","2488.44","0.13","103","2","103","2","","","","","","","","6","P -1","-P 1","2","EuMpipdc3Phen","","","- C36 H47 Cl9 Eu N5 S6 -","- C35.999 H46.999 Cl8.997 Eu N5 S6 -","- C71.998 H93.998 Cl17.994 Eu2 N10 S12 -","2","1","","Rachel S. Selinsky; Jae Hyo Han; Elvin A. Morales Pérez; Ilia A. Guzei; Song Jin","Synthesis and Magnetic Properties of Gd Doped EuS Nanocrystals with Enhanced Curie Temperatures","Journal of the American Chemical Society","2010","132","","15997","16005","10.1021/ja104314c","","","1.54178","CuKα","","0.0629","0.0573","","","0.1497","0.1548","","","","","","1.09","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103485","18.2665","0.0013","17.3854","0.0012","26.6725","0.0019","90","","90","","90","","8470.4","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","GdPytc3Bipy","","- C28 H35 Cl9 Gd N5 S6 -","- C28 H35 Cl9 Gd N5 S6 -","- C224 H280 Cl72 Gd8 N40 S48 -","8","1","","Rachel S. Selinsky; Jae Hyo Han; Elvin A. Morales Pérez; Ilia A. Guzei; Song Jin","Synthesis and Magnetic Properties of Gd Doped EuS Nanocrystals with Enhanced Curie Temperatures","Journal of the American Chemical Society","2010","132","","15997","16005","10.1021/ja104314c","","","0.71073","Mo-Kα","","0.0357","0.0264","","","0.0642","0.0749","","","","","","0.947","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103486","9.0725","0.0009","14.2346","0.0013","14.3882","0.0013","90","","102.88","0.007","90","","1811.4","0.3","223.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H13 F6 Ir N3 O3 P -","- C15 H13 F6 Ir N3 O3 P -","- C60 H52 F24 Ir4 N12 O12 P4 -","4","2","","James D. Blakemore; Nathan D. Schley; David Balcells; Jonathan F. Hull; Gerard W. Olack; Christopher D. Incarvito; Odile Eisenstein; Gary W. Brudvig; Robert H. Crabtree","Half-Sandwich Iridium Complexes for Homogeneous Water-Oxidation Catalysis","Journal of the American Chemical Society","2010","132","","16017","16029","10.1021/ja104775j","","","0.71075","MoKα","","","0.0504","","","","0.0823","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103487","12.516","0.005","12.003","0.005","7.566","0.003","90","","90","","90","","1136.6","0.8","223.1","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C7 H11 I2 Ir O S -","- C7 H11 I2 Ir O S -","- C28 H44 I8 Ir4 O4 S4 -","4","1","","James D. Blakemore; Nathan D. Schley; David Balcells; Jonathan F. Hull; Gerard W. Olack; Christopher D. Incarvito; Odile Eisenstein; Gary W. Brudvig; Robert H. Crabtree","Half-Sandwich Iridium Complexes for Homogeneous Water-Oxidation Catalysis","Journal of the American Chemical Society","2010","132","","16017","16029","10.1021/ja104775j","","","0.71075","MoKα","","","0.0201","","","","0.04","","","","","","0.963","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103488","9.195","0.002","14.501","0.004","15.944","0.004","87.066","0.006","86.709","0.005","82.824","0.006","2103.7","0.9","223.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H35 Cl2 Ir N2 O2 -","- C16 H35 Cl2 Ir N2 O2 -","- C64 H140 Cl8 Ir4 N8 O8 -","4","2","","James D. Blakemore; Nathan D. Schley; David Balcells; Jonathan F. Hull; Gerard W. Olack; Christopher D. Incarvito; Odile Eisenstein; Gary W. Brudvig; Robert H. Crabtree","Half-Sandwich Iridium Complexes for Homogeneous Water-Oxidation Catalysis","Journal of the American Chemical Society","2010","132","","16017","16029","10.1021/ja104775j","","","0.71075","MoKα","","","0.0344","","","","0.066","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103489","10.7369","0.0007","12.7746","0.0009","13.1044","0.0009","108.229","0.0014","104.709","0.0015","94.1493","0.0015","1628.55","0.19","223.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 I Ir N3 O3 -","- C15 H13 I Ir N3 O3 -","- C60 H52 I4 Ir4 N12 O12 -","4","2","","James D. Blakemore; Nathan D. Schley; David Balcells; Jonathan F. Hull; Gerard W. Olack; Christopher D. Incarvito; Odile Eisenstein; Gary W. Brudvig; Robert H. Crabtree","Half-Sandwich Iridium Complexes for Homogeneous Water-Oxidation Catalysis","Journal of the American Chemical Society","2010","132","","16017","16029","10.1021/ja104775j","","","0.71075","MoKα","","","0.0396","","","","0.0734","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103490","11.4329","0.0014","16.816","0.002","32.393","0.004","90","","90","","90","","6227.7","1.3","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C65 H72 Br2 Cl2 N4 O4 S2 -","- C65 H72 Br2 Cl2 N4 O4 S2 -","- C260 H288 Br8 Cl8 N16 O16 S8 -","4","1","","Tomoya Miura; Masao Morimoto; Masahiro Murakami","Enantioselective [2 + 2 + 2] Cycloaddition Reaction of Isocyanates and Allenes Catalyzed by Nickel","Journal of the American Chemical Society","2010","132","","15836","15838","10.1021/ja105541r","","","0.71075","MoKα","","0.1013","0.0785","","","0.1947","0.2101","","","","","","1.077","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103491","21.7968","0.0012","13.1593","0.0007","13.3171","0.0007","90","","99.185","0.003","90","","3770.8","0.4","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Cu2 N6 -","- C48 H36 Cu2 N6 -","- C192 H144 Cu8 N24 -","4","0.5","","Ramesh Giri; John F. Hartwig","Cu(I)-Amido Complexes in the Ullmann Reaction: Reactions of Cu(I)-Amido Complexes with Iodoarenes with and without Autocatalysis by CuI","Journal of the American Chemical Society","2010","132","","15860","15863","10.1021/ja105695s","","","0.71073","MoKα","","0.0512","0.0304","","","0.0688","0.0778","","","","","","1.056","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103492","10.4811","0.0009","25.167","0.002","18.0748","0.0014","90","","100.536","0.003","90","","4687.3","0.7","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H44 Cu K N8 -","- C60 H44 Cu K N8 -","- C240 H176 Cu4 K4 N32 -","4","1","","Ramesh Giri; John F. Hartwig","Cu(I)-Amido Complexes in the Ullmann Reaction: Reactions of Cu(I)-Amido Complexes with Iodoarenes with and without Autocatalysis by CuI","Journal of the American Chemical Society","2010","132","","15860","15863","10.1021/ja105695s","","","0.71073","MoKα","","0.0594","0.0412","","","0.1041","0.1124","","","","","","1.098","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4103493","6.0303","0.0012","6.5098","0.0013","8.3072","0.0016","112.082","0.002","96.667","0.003","108.792","0.003","275.42","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H6 Cl4 O4 Tc2 -","- C4 H6 Cl4 O4 Tc2 -","- C4 H6 Cl4 O4 Tc2 -","1","0.5","","Frederic Poineau; Erik V. Johnstone; Philippe F. Weck; Eunja Kim; Paul M. Forster; Brian L. Scott; Alfred P. Sattelberger; Kenneth R. Czerwinski","Synthesis and Structure of Technetium Trichloride","Journal of the American Chemical Society","2010","132","","15864","15865","10.1021/ja105730e","","","0.71073","MoKα","","0.0279","0.0256","","","0.0689","0.0699","","","","","","1.079","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103494","10.1035","0.0019","10.1035","0.0019","20.12","0.008","90","","90","","120","","1778.7","0.9","140","1","140","1","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cl3 Tc -","- Cl3 Tc -","- Cl54 Tc18 -","18","0.5","","Frederic Poineau; Erik V. Johnstone; Philippe F. Weck; Eunja Kim; Paul M. Forster; Brian L. Scott; Alfred P. Sattelberger; Kenneth R. Czerwinski","Synthesis and Structure of Technetium Trichloride","Journal of the American Chemical Society","2010","132","","15864","15865","10.1021/ja105730e","","","0.71073","MoKα","","0.0397","0.0365","","","0.1446","0.1477","","","","","","1.375","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103495","9.626","0.006","17.645","0.012","12.048","0.008","90","","111.742","0.01","90","","1901","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 B10 -","- C14 H30 B10 -","- C56 H120 B40 -","4","1","","Zaozao Qiu; Zuowei Xie","Palladium/Nickel-Cocatalyzed Cycloaddition of 1,3-Dehydro-o-Carborane with Alkynes. Facile Synthesis of C,B-Substituted Carboranes","Journal of the American Chemical Society","2010","132","","16085","16093","10.1021/ja1058789","","","0.71073","MoKα","","0.1418","0.0746","","","0.1613","0.1993","","","","","","1.044","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103496","17.164","0.015","9.756","0.009","12.097","0.011","90","","90","","90","","2026","3","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H32 B10 -","- C15 H32 B10 -","- C60 H128 B40 -","4","1","","Zaozao Qiu; Zuowei Xie","Palladium/Nickel-Cocatalyzed Cycloaddition of 1,3-Dehydro-o-Carborane with Alkynes. Facile Synthesis of C,B-Substituted Carboranes","Journal of the American Chemical Society","2010","132","","16085","16093","10.1021/ja1058789","","","0.71073","MoKα","","0.0838","0.0484","","","0.1062","0.1257","","","","","","1.082","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103497","9.771","0.003","14.55","0.005","16.814","0.006","90","","90","","90","","2390.4","1.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H38 B10 Si -","- C17 H38 B10 Si -","- C68 H152 B40 Si4 -","4","1","","Zaozao Qiu; Zuowei Xie","Palladium/Nickel-Cocatalyzed Cycloaddition of 1,3-Dehydro-o-Carborane with Alkynes. Facile Synthesis of C,B-Substituted Carboranes","Journal of the American Chemical Society","2010","132","","16085","16093","10.1021/ja1058789","","","0.71073","MoKα","","0.0457","0.039","","","0.1079","0.1144","","","","","","1.049","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103498","38.9899","0.0014","38.9899","0.0014","12.1613","0.0004","90","","90","","120","","16010.9","1","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C31 H32 B10 -","- C31 H32 B10 -","- C558 H576 B180 -","18","1","","Zaozao Qiu; Zuowei Xie","Palladium/Nickel-Cocatalyzed Cycloaddition of 1,3-Dehydro-o-Carborane with Alkynes. Facile Synthesis of C,B-Substituted Carboranes","Journal of the American Chemical Society","2010","132","","16085","16093","10.1021/ja1058789","","","0.71073","MoKα","","0.1075","0.0687","","","0.2047","0.2274","","","","","","1.056","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103499","12.6407","0.001","8.9507","0.0008","22.2876","0.0017","90","","98.526","0.002","90","","2493.8","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H32 B10 -","- C23 H32 B10 -","- C92 H128 B40 -","4","2","","Zaozao Qiu; Zuowei Xie","Palladium/Nickel-Cocatalyzed Cycloaddition of 1,3-Dehydro-o-Carborane with Alkynes. Facile Synthesis of C,B-Substituted Carboranes","Journal of the American Chemical Society","2010","132","","16085","16093","10.1021/ja1058789","","","0.71073","MoKα","","0.1397","0.0515","","","0.1027","0.1455","","","","","","1.001","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103500","8.9391","0.0011","17.6712","0.0019","16.0679","0.0017","90","","91.454","0.002","90","","2537.3","0.5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 B10 -","- C23 H32 B10 -","- C92 H128 B40 -","4","1","","Zaozao Qiu; Zuowei Xie","Palladium/Nickel-Cocatalyzed Cycloaddition of 1,3-Dehydro-o-Carborane with Alkynes. Facile Synthesis of C,B-Substituted Carboranes","Journal of the American Chemical Society","2010","132","","16085","16093","10.1021/ja1058789","","","0.71073","MoKα","","0.1269","0.0817","","","0.2479","0.296","","","","","","1.094","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103501","9.311","0.006","7.728","0.005","24.422","0.016","90","","91.05","0.012","90","","1757","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 B10 -","- C13 H22 B10 -","- C52 H88 B40 -","4","1","","Zaozao Qiu; Zuowei Xie","Palladium/Nickel-Cocatalyzed Cycloaddition of 1,3-Dehydro-o-Carborane with Alkynes. Facile Synthesis of C,B-Substituted Carboranes","Journal of the American Chemical Society","2010","132","","16085","16093","10.1021/ja1058789","","","0.71073","MoKα","","0.138","0.0899","","","0.2508","0.3104","","","","","","1.035","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103502","10.724","0.003","15.122","0.005","11.474","0.004","90","","97.422","0.004","90","","1845.1","1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","10075","","","- C40 H50 Cu N4 O2 -","- C40 H50 Cu N4 O2 -","- C80 H100 Cu2 N8 O4 -","2","1","","Patrick J. Donoghue; Aalo K. Gupta; David W. Boyce; Christopher J. Cramer; William B. Tolman","An Anionic, tetragonal Copper(II) Superoxide Complex","Journal of the American Chemical Society","2010","132","","15869","15871","10.1021/ja106244k","","","0.71073","MoKα","","0.0618","0.0435","","","0.0938","0.1002","","","","","","1","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103503","36.805","0.003","5.7499","0.0004","7.9908","0.0005","90","","99.837","0.003","90","","1666.2","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","JJ-2-30","zuckermann01","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","0.5","","Hannah K. Murnen; Adrianne M. Rosales; Jonathan N. Jaworski; Rachel A. Segalman; Ronald N. Zuckermann","Hierarchical Self-Assembly of a Biomimetic Diblock Copolypeptoid into Homochiral Superhelices","Journal of the American Chemical Society","2010","132","","16112","16119","10.1021/ja106340f","","","1.54178","CuKα","","0.0551","0.053","","","0.1452","0.146","","","","","","1.302","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4103504","9.8776","0.0008","12.953","0.0011","15.5488","0.0013","81.634","0.007","83.316","0.007","82.826","0.007","1943","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET) (compiled Jan 12 2007,17:49:11)","","- C38 H58 N4 Ni O Si2 -","- C38 H58 N4 Ni O Si2 -","- C76 H116 N8 Ni2 O2 Si4 -","2","1","","Wenyuan Wang; Shigeyoshi Inoue; Shenglai Yao; Matthias Driess","An Isolable Bis-Silylene Oxide (""Disilylenoxane"") and Its Metal Coordination","Journal of the American Chemical Society","2010","132","","15890","15892","10.1021/ja106458p","","","0.71073","MoKα","","0.0605","0.0386","","","0.0807","0.0853","","","","","","0.948","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103505","31.188","0.002","39.12","0.003","10.262","0.0006","90","","90","","90","","12520.4","1.4","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET) (compiled Jan 12 2007,17:49:11)","","- C30 H46 N4 O Si2 -","- C30 H46 N4 O Si2 -","- C480 H736 N64 O16 Si32 -","16","1","","Wenyuan Wang; Shigeyoshi Inoue; Shenglai Yao; Matthias Driess","An Isolable Bis-Silylene Oxide (""Disilylenoxane"") and Its Metal Coordination","Journal of the American Chemical Society","2010","132","","15890","15892","10.1021/ja106458p","","","0.71073","MoKα","","0.0754","0.0488","","","0.0604","0.065","","","","","","0.897","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103506","12.1593","0.0005","16.2045","0.0006","17.1248","0.0007","90","","98.177","0.004","90","","3339.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET) (compiled Jan 12 2007,17:49:11)","","- C30 H48 Cl2 N4 O Si2 -","- C30 H48 Cl2 N4 O Si2 -","- C120 H192 Cl8 N16 O4 Si8 -","4","1","","Wenyuan Wang; Shigeyoshi Inoue; Shenglai Yao; Matthias Driess","An Isolable Bis-Silylene Oxide (""Disilylenoxane"") and Its Metal Coordination","Journal of the American Chemical Society","2010","132","","15890","15892","10.1021/ja106458p","","","0.71073","MoKα","","0.0905","0.0543","","","0.108","0.1194","","","","","","1.035","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103507","9.3855","0.0003","15.6669","0.0008","20.7398","0.0011","90","","95.827","0.003","90","","3033.9","0.2","200","2","200","2","","","","","","","Chemical synthesis, S.C. Lee lab","6","P 1 21/n 1","-P 2yn","14","(NEt4)2[Fe2(mu-NtBu)(mu-S)Cl2]","","","- C20 H49 Cl4 Fe2 N3 S -","- C20 H49 Cl4 Fe2 N3 S -","- C80 H196 Cl16 Fe8 N12 S4 -","4","1","","Xu-Dong Chen; Jeremiah S. Duncan; Atul K. Verma; Sonny C. Lee","Selective Syntheses of Iron-Imide-Sulfide Cubanes, Including a Partial Representation of the Fe-S-X Environment in the FeMo Cofactor","Journal of the American Chemical Society","2010","132","","15884","15886","10.1021/ja106478k","","","0.71073","MoKα","","0.1004","0.0534","","0.1618","0.1331","","","","1.031","1.082","1.082","","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103508","16.4939","0.0008","9.0249","0.0005","23.5935","0.0013","90","","101.945","0.002","90","","3436","0.3","200","2","200","2","","","","","","","Chemical synthesis, S.C. Lee lab","6","P 1 21/n 1","-P 2yn","14","Fe2(mu-NHtBu)(mu-S)[N(TMS)2]2","","","- C20 H56 Fe2 N4 S Si4 -","- C20 H56 Fe2 N4 S Si4 -","- C80 H224 Fe8 N16 S4 Si16 -","4","1","","Xu-Dong Chen; Jeremiah S. Duncan; Atul K. Verma; Sonny C. Lee","Selective Syntheses of Iron-Imide-Sulfide Cubanes, Including a Partial Representation of the Fe-S-X Environment in the FeMo Cofactor","Journal of the American Chemical Society","2010","132","","15884","15886","10.1021/ja106478k","","","0.71073","MoKα","","0.1409","0.0604","","0.1301","0.1053","","","","1.027","1.144","1.144","","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103509","23.4155","0.001","20.7305","0.0009","17.8411","0.0013","90","","130.166","0.001","90","","6618","0.6","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(Et4N)[Fe4(mu3-NtBu)3(mu3-S)Cl4]","(Et4N)[Fe4(mu3-NtBu)3(mu3-S)Cl4]","","- C20 H47 Cl4 Fe4 N4 S -","- C20 H47 Cl4 Fe4 N4 S -","- C160 H376 Cl32 Fe32 N32 S8 -","8","1","","Xu-Dong Chen; Jeremiah S. Duncan; Atul K. Verma; Sonny C. Lee","Selective Syntheses of Iron-Imide-Sulfide Cubanes, Including a Partial Representation of the Fe-S-X Environment in the FeMo Cofactor","Journal of the American Chemical Society","2010","132","","15884","15886","10.1021/ja106478k","","","0.71073","MoKα","","0.0488","0.033","","","0.0722","0.0804","","","","","","1.023","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103510","17.8185","0.0012","11.3121","0.0007","22.1301","0.0014","90","","108.795","0.001","90","","4222.8","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Et4N)2[Fe4(mu3-NtBu)2(mu3-S)2Cl4]","(Et4N)2[Fe4(mu3-NtBu)2(mu3-S)2Cl4]","","- C24 H58 Cl4 Fe4 N4 S2 -","- C24 H58 Cl4 Fe4 N4 S2 -","- C96 H232 Cl16 Fe16 N16 S8 -","4","1","","Xu-Dong Chen; Jeremiah S. Duncan; Atul K. Verma; Sonny C. Lee","Selective Syntheses of Iron-Imide-Sulfide Cubanes, Including a Partial Representation of the Fe-S-X Environment in the FeMo Cofactor","Journal of the American Chemical Society","2010","132","","15884","15886","10.1021/ja106478k","","","0.71073","MoKα","","0.0895","0.0498","","","0.102","0.1188","","","","","","0.978","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103511","26.4805","0.0011","10.7835","0.0004","12.7847","0.0005","90","","90","","90","","3650.7","0.2","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","(Et4N)2[Fe4(mu3-NtBu)(mu3-S)3Cl4].(CH3CN)","(Et4N)2[Fe4(mu3-NtBu)(mu3-S)3Cl4].(CH3CN)","","- C22 H52 Cl4 Fe4 N4 S3 -","- C22 H52 Cl4 Fe4 N4 S3 -","- C88 H208 Cl16 Fe16 N16 S12 -","4","1","","Xu-Dong Chen; Jeremiah S. Duncan; Atul K. Verma; Sonny C. Lee","Selective Syntheses of Iron-Imide-Sulfide Cubanes, Including a Partial Representation of the Fe-S-X Environment in the FeMo Cofactor","Journal of the American Chemical Society","2010","132","","15884","15886","10.1021/ja106478k","","","0.71073","MoKα","","0.0469","0.0379","","","0.0805","0.0889","","","","","","1.072","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103512","25.0996","0.0005","25.0996","0.0005","70.9292","0.0016","90","","90","","90","","44684.7","1.6","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C216 H359.2 Mn40 N8 Na4 O169.6 -","- C216 H340 Mn40 N8 Na4 O169.6 -","- C864 H1360 Mn160 N32 Na16 O678.4 -","4","0.25","","Eleni E. Moushi; Christos Lampropoulos; Wolfgang Wernsdorfer; Vassilios Nastopoulos; George Christou; Anastasios J. Tasiopoulos","Inducing Single-Molecule Magnetism in a Family of Loop-of-Loops Aggregates: Heterometallic Mn40Na4 Clusters and the Homometallic Mn44 Analogue","Journal of the American Chemical Society","2010","132","","16146","16155","10.1021/ja106666h","","","0.71073","MoKα","","0.114","0.0545","","","0.1537","0.1723","","","","","","0.906","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103513","25.8279","0.0004","25.8279","0.0004","33.8254","0.0011","90","","90","","90","","22564.3","0.9","100","2","100","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C226 H360 Cl20 Mn40 N8 Na4 O160 -","- C226 H360 Cl20 Mn40 N8 Na4 O160 -","- C452 H720 Cl40 Mn80 N16 Na8 O320 -","2","0.25","","Eleni E. Moushi; Christos Lampropoulos; Wolfgang Wernsdorfer; Vassilios Nastopoulos; George Christou; Anastasios J. Tasiopoulos","Inducing Single-Molecule Magnetism in a Family of Loop-of-Loops Aggregates: Heterometallic Mn40Na4 Clusters and the Homometallic Mn44 Analogue","Journal of the American Chemical Society","2010","132","","16146","16155","10.1021/ja106666h","","","0.71073","MoKα","","0.1591","0.0679","","","0.1517","0.1667","","","","","","0.961","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103514","34.5332","0.0004","34.5332","0.0004","100.3812","0.0017","90","","90","","90","","119709","3","100","2","100","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C236 H436 Mn40 N4 Na4 O182 -","- C236 H400 Mn40 N4 Na4 O182 -","- C1888 H3200 Mn320 N32 Na32 O1456 -","8","0.25","","Eleni E. Moushi; Christos Lampropoulos; Wolfgang Wernsdorfer; Vassilios Nastopoulos; George Christou; Anastasios J. Tasiopoulos","Inducing Single-Molecule Magnetism in a Family of Loop-of-Loops Aggregates: Heterometallic Mn40Na4 Clusters and the Homometallic Mn44 Analogue","Journal of the American Chemical Society","2010","132","","16146","16155","10.1021/ja106666h","","","0.71073","MoKα","","0.1915","0.0954","","","0.2547","0.3078","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103515","23.9377","0.0003","23.9377","0.0003","70.072","0.0016","90","","90","","90","","40152.2","1.2","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C216 H355 Cl Mn44 N8 O173 -","- C216 H340 Cl Mn44 N8 O173 -","- C864 H1360 Cl4 Mn176 N32 O692 -","4","0.25","","Eleni E. Moushi; Christos Lampropoulos; Wolfgang Wernsdorfer; Vassilios Nastopoulos; George Christou; Anastasios J. Tasiopoulos","Inducing Single-Molecule Magnetism in a Family of Loop-of-Loops Aggregates: Heterometallic Mn40Na4 Clusters and the Homometallic Mn44 Analogue","Journal of the American Chemical Society","2010","132","","16146","16155","10.1021/ja106666h","","","0.71073","MoKα","","0.1262","0.0664","","","0.1597","0.1714","","","","","","1.01","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103516","15.8542","0.0007","15.8542","0.0007","4.1273","0.0003","90","","90","","90","","1037.42","0.1","296","2","296","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C7 H5 F N3 S4 -","- C7 H5 F N3 S4 -","- C28 H20 F4 N12 S16 -","4","0.5","","Kristina Lekin; Stephen M. Winter; Laura E. Downie; Xuezhao Bao; John S. Tse; Serge Desgreniers; Richard A. Secco; Paul A. Dube; Richard T. Oakley","Hysteretic Spin Crossover between a Bisdithiazolyl Radical and Its Hypervalent σ-Dimer","Journal of the American Chemical Society","2010","132","","16212","16224","10.1021/ja106768z","","","0.71073","MoKα","","0.033","0.0309","","","0.0714","0.073","","","","","","1.158","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103517","5.3256","0.0003","11.3951","0.0007","17.3934","0.001","90","","105.105","0.002","90","","1019.06","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPEt_dimer","","","- C14 H10 F2 N6 S8 -","- C14 H10 F2 N6 S8 -","- C28 H20 F4 N12 S16 -","2","0.5","","Kristina Lekin; Stephen M. Winter; Laura E. Downie; Xuezhao Bao; John S. Tse; Serge Desgreniers; Richard A. Secco; Paul A. Dube; Richard T. Oakley","Hysteretic Spin Crossover between a Bisdithiazolyl Radical and Its Hypervalent σ-Dimer","Journal of the American Chemical Society","2010","132","","16212","16224","10.1021/ja106768z","","","0.71073","MoKα","","0.0504","0.0364","","","0.0835","0.0942","","","","","","1.077","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103518","5.3225","0.0006","11.091","0.001","17.1492","0.0015","90","","105.095","0.008","90","","977.42","0.17","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPEt","","","- C7 H5 F N3 S4 -","- C7 H5 F N3 S4 -","- C28 H20 F4 N12 S16 -","4","1","","Kristina Lekin; Stephen M. Winter; Laura E. Downie; Xuezhao Bao; John S. Tse; Serge Desgreniers; Richard A. Secco; Paul A. Dube; Richard T. Oakley","Hysteretic Spin Crossover between a Bisdithiazolyl Radical and Its Hypervalent σ-Dimer","Journal of the American Chemical Society","2010","132","","16212","16224","10.1021/ja106768z","powder diffraction","x-ray","0.50918","","","","","","","","","0.18362","","0.5","","","","","","","has coordinates,has Fobs","178781","2020-10-21","18:00:00",""
"4103519","5.1026","0.0005","11.0754","0.0009","17.1529","0.0016","90","","104.824","0.008","90","","937.1","0.15","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPEt","","","- C7 H5 F N3 S4 -","- C7 H5 F N3 S4 -","- C28 H20 F4 N12 S16 -","4","1","","Kristina Lekin; Stephen M. Winter; Laura E. Downie; Xuezhao Bao; John S. Tse; Serge Desgreniers; Richard A. Secco; Paul A. Dube; Richard T. Oakley","Hysteretic Spin Crossover between a Bisdithiazolyl Radical and Its Hypervalent σ-Dimer","Journal of the American Chemical Society","2010","132","","16212","16224","10.1021/ja106768z","powder diffraction","x-ray","0.50918","","","","","","","","","0.15847","","0.58","","","","","","","has coordinates,has Fobs","178781","2020-10-21","18:00:00",""
"4103520","5.2038","0.00035","11.6317","0.0004","17.7657","0.0009","90","","105.746","0.005","90","","1034.99","0.1","393","","393","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPEt","","","- C7 H5 F N3 S4 -","- C7 H5 F N3 S4 -","- C28 H20 F4 N12 S16 -","4","1","","Kristina Lekin; Stephen M. Winter; Laura E. Downie; Xuezhao Bao; John S. Tse; Serge Desgreniers; Richard A. Secco; Paul A. Dube; Richard T. Oakley","Hysteretic Spin Crossover between a Bisdithiazolyl Radical and Its Hypervalent σ-Dimer","Journal of the American Chemical Society","2010","132","","16212","16224","10.1021/ja106768z","powder diffraction","x-ray","1.5405","CuKα","","","","","","","","0.61512","","1151.95","","","","","","","has coordinates,has Fobs","178781","2020-10-21","18:00:00",""
"4103521","19.6727","0.0004","7.742","0.0001","10.7323","0.0002","90","","91.791","0.001","90","","1633.8","0.05","103","2","103","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H18 Cl In O2 -","- C18 H18 Cl In O2 -","- C72 H72 Cl4 In4 O8 -","4","1","","Zhi-Liang Shen; Kelvin Kau Kiat Goh; Hao-Lun Cheong; Colin Hong An Wong; Yin-Chang Lai; Yong-Sheng Yang; Teck-Peng Loh","Synthesis of Water-Tolerant Indium Homoenolate in Aqueous Media and Its Application in the Synthesis of 1,4-Dicarbonyl Compounds via Palladium-Catalyzed Coupling with Acid Chloride","Journal of the American Chemical Society","2010","132","","15852","15855","10.1021/ja106925f","","","0.71073","MoKα","","0.03","0.0268","","","0.0621","0.0637","","","","","","1.018","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103522","20.38","0.004","20.556","0.004","35.192","0.007","90.28","0.03","92.8","0.03","109.91","0.03","13842","5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Ga4L6 supramolecular cluster","","","- C214.5 H216.5 Ga4 K3 N13 O44.25 P5 -","- C214.497 H149 Ga4 K3 N13 O44.25 P5 -","- C428.994 H298 Ga8 K6 N26 O88.5 P10 -","2","1","","Jeffrey S. Mugridge; Géza Szigethy; Robert G. Bergman; Kenneth N. Raymond","Encapsulated Guest-Host Dynamics: Guest Rotational Barriers and Tumbling as a Probe of Host Interior Cavity Space","Journal of the American Chemical Society","2010","132","","16256","16264","10.1021/ja107656g","","","1.54178","CuKα","","0.1248","0.1038","","","0.2784","0.3028","","","","","","1.097","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103523","34.674","0.002","34.674","0.002","6.0958","0.0004","90","","90","","120","","6347","0.7","170","2","170","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C11 H21 N3 O3 -","- C11 H21 N3 O3 -","- C198 H378 N54 O54 -","18","1","","Shuichi Suzuki; Takanori Furui; Masato Kuratsu; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Keiji Okada","Nitroxide-Substituted Nitronyl Nitroxide and Iminonitroxide","Journal of the American Chemical Society","2010","132","","15908","15910","10.1021/ja107769z","","","0.7107","MoKα","","0.0807","0.0756","","","0.184","0.1868","","","","","","1.172","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103524","6.118","0.002","17.652","0.006","12.494","0.004","90","","109.434","0.006","90","","1272.4","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 N3 O2 -","- C11 H21 N3 O2 -","- C44 H84 N12 O8 -","4","1","","Shuichi Suzuki; Takanori Furui; Masato Kuratsu; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Keiji Okada","Nitroxide-Substituted Nitronyl Nitroxide and Iminonitroxide","Journal of the American Chemical Society","2010","132","","15908","15910","10.1021/ja107769z","","","0.7107","MoKα","","0.0923","0.0793","","","0.1235","0.1287","","","","","","1.153","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103525","15.631","0.004","12.413","0.003","18.049","0.004","90","","90","","90","","3502","1.5","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","jonme10","","","- C15 H26 Br N P Rh -","- C15 H26 Br N P Rh -","- C120 H208 Br8 N8 P8 Rh8 -","8","1","","Meagan E. Evans; Ting Li; William D. Jones","C-H vs C-C Bond Activation of Acetonitrile and Benzonitrile via Oxidative Addition: Rhodium vs Nickel and Cp* vs Tp' (Tp' = Hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp* = η5-Pentamethylcyclopentadienyl)","Journal of the American Chemical Society","2010","132","","16278","16284","10.1021/ja107927b","","","0.71073","MoKα","","0.1083","0.0507","","","0.0984","0.1154","","","","","","1.046","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103526","16.447","0.002","12.741","0.0018","7.6738","0.0011","90","","90","","90","","1608.1","0.4","100","0.1","100","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","jonme07","","","- C15 H27 N P Rh -","- C15 H27 N P Rh -","- C60 H108 N4 P4 Rh4 -","4","0.5","","Meagan E. Evans; Ting Li; William D. Jones","C-H vs C-C Bond Activation of Acetonitrile and Benzonitrile via Oxidative Addition: Rhodium vs Nickel and Cp* vs Tp' (Tp' = Hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp* = η5-Pentamethylcyclopentadienyl)","Journal of the American Chemical Society","2010","132","","16278","16284","10.1021/ja107927b","","","0.71073","MoKα","","0.0299","0.0272","","","0.0698","0.0705","","","","","","1.423","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103527","8.1053","0.0013","8.7271","0.0013","15.88","0.002","89.287","0.003","76.682","0.003","67.204","0.003","1004","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","jonme12","","","- C20 H30 N O0.5 P Rh -","- C20 H30 N O0.5 P Rh -","- C40 H60 N2 O P2 Rh2 -","2","1","","Meagan E. Evans; Ting Li; William D. Jones","C-H vs C-C Bond Activation of Acetonitrile and Benzonitrile via Oxidative Addition: Rhodium vs Nickel and Cp* vs Tp' (Tp' = Hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp* = η5-Pentamethylcyclopentadienyl)","Journal of the American Chemical Society","2010","132","","16278","16284","10.1021/ja107927b","","","0.71073","MoKα","","0.0356","0.0289","","","0.0663","0.0697","","","","","","1.05","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103528","17.6562","0.0004","17.6562","0.0004","4.5121","0.0001","90","","90","","90","","1406.61","0.05","100","2","100","2","","","","","","","","4","P -4 n 2","P -4 -2n","118","2,2'-diisocyano-1,1',3,3'-tetraethoxycarbonyl-6,6'-biazulenyl","","","- C34 H28 N2 O8 -","- C34 H28 N2 O8 -","- C68 H56 N4 O16 -","2","0.25","","Tiffany R. Maher; Andrew D. Spaeth; Brad M. Neal; Cindy L. Berrie; Ward H. Thompson; Victor W. Day; Mikhail V. Barybin","Linear 6,6'-Biazulenyl Framework Featuring Isocyanide Termini: Synthesis, Structure, Redox Behavior, Complexation, and Self-Assembly on Au(111)","Journal of the American Chemical Society","2010","132","","15924","15926","10.1021/ja108202d","","","1.54178","CuKα","","0.0314","0.03","","","0.0784","0.0794","","","","","","1.096","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103529","7.661","0.0015","10.065","0.002","16.229","0.003","90","","91.179","0.011","90","","1251.1","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H8 N2 O -","- C6 H8 N2 O -","- C48 H64 N16 O8 -","8","4","","Zhenfeng Zhang; Fang Xie; Jia Jia; Wanbin Zhang","Chiral Bicycle Imidazole Nucleophilic Catalysts: Rational Design, Facile Synthesis, and Successful Application in Asymmetric Steglich Rearrangement","Journal of the American Chemical Society","2010","132","","15939","15941","10.1021/ja109069k","","","1.54178","CuKα","","0.0485","0.0389","","","0.1026","0.1176","","","","","","1.15","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103530","15.3654","0.0008","17.7225","0.0009","21.0786","0.001","100.623","0.003","93.62","0.002","94.919","0.003","5602.5","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H129 Cl2 Co2 N15 O5 -","- C119 H129 Cl2 Co2 N15 O5 -","- C238 H258 Cl4 Co4 N30 O10 -","2","1","","Renee M. Thomas; Peter C. B. Widger; Syud M. Ahmed; Ryan C. Jeske; Wataru Hirahata; Emil B. Lobkovsky; Geoffrey W. Coates","Enantioselective Epoxide Polymerization Using a Bimetallic Cobalt Catalyst","Journal of the American Chemical Society","2010","132","","16520","16525","10.1021/ja1058422","","","0.71073","MoKα","","0.0974","0.0574","","","0.1471","0.1641","","","","","","1.028","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103531","8.4136","0.0006","13.2172","0.0007","37.7991","0.0016","90.22","0.004","91.244","0.005","90.444","0.005","4202.3","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","Bis(ethylenedithio)tetrathiafulvalene tetrakis(trifluoromethyl)argentate(III) 1,1,2-trichloroethane","","","- C26 H19 Ag Cl3 F12 S16 -","- C26 H19 Ag Cl3 F12 S16 -","- C104 H76 Ag4 Cl12 F48 S64 -","4","2","","John A. Schlueter; Leonore Wiehl; Hyunsoo Park; Mariano de Souza; Michael Lang; Hyun-Joo Koo; Myung-Hwan Whangbo","Enhanced Critical Temperature in a Dual-Layered Molecular Superconductor","Journal of the American Chemical Society","2010","132","","16308","16310","10.1021/ja105854m","","","0.71073","MoKα","","0.0786","0.0645","","","0.1272","0.1335","","","","","","1.095","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103532","16.8961","0.0019","11.5086","0.0014","17.34","0.002","90","","102.729","0.002","90","","3288.9","0.7","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Cl F6 N4 O6 P S2 -","- C24 H40 Cl F6 N4 O6 P S2 -","- C96 H160 Cl4 F24 N16 O24 P4 S8 -","4","1","","Jan J. Weigand; Kai-Oliver Feldmann; Florian D. Henne","Carbene-Stabilized Phosphorus(III)-Centered Cations [LPX~2~]^+^ and [L~2~PX]^2+^ (L = NHC; X = Cl, CN, N~3~)","Journal of the American Chemical Society","2010","132","","16321","16323","10.1021/ja106172d","","","0.71073","MoKα","","0.0649","0.0562","","","0.1552","0.1632","","","","","","1.025","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103533","9.2133","0.0003","13.2202","0.0004","15.7172","0.0005","90","","93.999","0.002","90","","1909.72","0.1","153","2","153","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 F3 N4 O3 P S -","- C14 H20 F3 N4 O3 P S -","- C56 H80 F12 N16 O12 P4 S4 -","4","1","","Jan J. Weigand; Kai-Oliver Feldmann; Florian D. Henne","Carbene-Stabilized Phosphorus(III)-Centered Cations [LPX~2~]^+^ and [L~2~PX]^2+^ (L = NHC; X = Cl, CN, N~3~)","Journal of the American Chemical Society","2010","132","","16321","16323","10.1021/ja106172d","","","1.54178","CuKα","","0.0384","0.0362","","","0.0964","0.0981","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103534","9.1924","0.0004","21.2386","0.0007","20.6522","0.0008","90","","90.117","0.003","90","","4032","0.3","153","2","153","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 F3 N8 O3 P S -","- C12 H20 F3 N8 O3 P S -","- C96 H160 F24 N64 O24 P8 S8 -","8","2","","Jan J. Weigand; Kai-Oliver Feldmann; Florian D. Henne","Carbene-Stabilized Phosphorus(III)-Centered Cations [LPX~2~]^+^ and [L~2~PX]^2+^ (L = NHC; X = Cl, CN, N~3~)","Journal of the American Chemical Society","2010","132","","16321","16323","10.1021/ja106172d","","","1.54178","CuKα","","0.0582","0.0464","","","0.1213","0.1292","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103535","15.8923","0.0009","9.1889","0.0005","23.6454","0.0011","90","","106.187","0.004","90","","3316.1","0.3","153","2","153","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H40 F6 N5 O6 P S2 -","- C25 H40 F6 N5 O6 P S2 -","- C100 H160 F24 N20 O24 P4 S8 -","4","2","","Jan J. Weigand; Kai-Oliver Feldmann; Florian D. Henne","Carbene-Stabilized Phosphorus(III)-Centered Cations [LPX~2~]^+^ and [L~2~PX]^2+^ (L = NHC; X = Cl, CN, N~3~)","Journal of the American Chemical Society","2010","132","","16321","16323","10.1021/ja106172d","","","1.54178","CuKα","","0.0629","0.0575","","","0.1513","0.1562","","","","","","1.037","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103536","10.1689","0.0003","10.577","0.0004","17.9056","0.0005","82.943","0.002","85.659","0.002","79.724","0.002","1877.76","0.11","153","1","153","1","","","","","","","","8","P -1","-P 1","2","","","","- C25 H42 Cl2 F6 N7 O6 P S2 -","- C25 H42 Cl2 F6 N7 O6 P S2 -","- C50 H84 Cl4 F12 N14 O12 P2 S4 -","2","1","","Jan J. Weigand; Kai-Oliver Feldmann; Florian D. Henne","Carbene-Stabilized Phosphorus(III)-Centered Cations [LPX~2~]^+^ and [L~2~PX]^2+^ (L = NHC; X = Cl, CN, N~3~)","Journal of the American Chemical Society","2010","132","","16321","16323","10.1021/ja106172d","","","1.54178","CuKα","","0.0807","0.0621","","","0.1558","0.1676","","","","","","0.956","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103537","19.6804","0.0003","30.5202","0.0005","27.2342","0.0004","90","","101.268","0.001","90","","16042.9","0.4","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C130 H143.2 B2 F12 N8 O16.6 P4 Pt2 S4 -","- C130 H118 B2 F12 N8 O16.6 P4 Pt2 S4 -","- C520 H472 B8 F48 N32 O66.4 P16 Pt8 S16 -","4","0.5","","Antonia Kaloudi-Chantzea; Nikolaos Karakostas; Catherine P. Raptopoulou; Vassilis Psycharis; Emmanuel Saridakis; Jan Griebel; Ralf Hermann; George Pistolis","Coordination-Driven Self Assembly of a Brilliantly Fluorescent Rhomboid Cavitand Composed of Bodipy-Dye Subunits","Journal of the American Chemical Society","2010","132","","16327","16329","10.1021/ja1064679","","","1.54178","CuKα","","0.0698","0.0554","","","0.1598","0.1758","","","","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103538","7.589","0.002","13.823","0.004","20.128","0.005","90","","96.519","0.005","90","","2097.8","1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H12 N4 -","- C28 H12 N4 -","- C112 H48 N16 -","4","1","","Fang Lin; Hai-Yan Peng; Jing-Xing Chen; David T. W. Chik; Zongwei Cai; Keith M. C. Wong; Vivian W. W. Yam; Henry N. C. Wong","Synthesis and Photophysical Studies of Chiral Helical Macrocyclic Scaffolds via Coordination-Driven Self-Assembly of 1,8,9,16-Tetraethynyltetraphenylene. Formation of Monometallic Platinum(II) and Dimetallic Platinum(II)-Ruthenium(II) Complexes","Journal of the American Chemical Society","2010","132","","16383","16392","10.1021/ja106599j","","","0.71073","MoKα","","0.0895","0.0748","","","0.1908","0.203","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103539","27.3035","0.0019","12.9231","0.0009","14.0208","0.001","90","","90","","90","","4947.2","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H68 Cl2 P4 Pt2 -","- C44 H67 Cl2 P4 Pt2 -","- C176 H268 Cl8 P16 Pt8 -","4","1","","Fang Lin; Hai-Yan Peng; Jing-Xing Chen; David T. W. Chik; Zongwei Cai; Keith M. C. Wong; Vivian W. W. Yam; Henry N. C. Wong","Synthesis and Photophysical Studies of Chiral Helical Macrocyclic Scaffolds via Coordination-Driven Self-Assembly of 1,8,9,16-Tetraethynyltetraphenylene. Formation of Monometallic Platinum(II) and Dimetallic Platinum(II)-Ruthenium(II) Complexes","Journal of the American Chemical Society","2010","132","","16383","16392","10.1021/ja106599j","","","0.71073","MoKα","","0.1127","0.0723","","","0.1595","0.1738","","","","","","0.877","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103540","17.236","0.002","14.499","0.0017","20.923","0.002","90","","113.719","0.002","90","","4787.1","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H68 Cl2 P4 Pt2 -","- C40 H68 Cl2 P4 Pt2 -","- C160 H272 Cl8 P16 Pt8 -","4","0.5","","Fang Lin; Hai-Yan Peng; Jing-Xing Chen; David T. W. Chik; Zongwei Cai; Keith M. C. Wong; Vivian W. W. Yam; Henry N. C. Wong","Synthesis and Photophysical Studies of Chiral Helical Macrocyclic Scaffolds via Coordination-Driven Self-Assembly of 1,8,9,16-Tetraethynyltetraphenylene. Formation of Monometallic Platinum(II) and Dimetallic Platinum(II)-Ruthenium(II) Complexes","Journal of the American Chemical Society","2010","132","","16383","16392","10.1021/ja106599j","","","0.71073","MoKα","","0.0831","0.06","","","0.1206","0.129","","","","","","0.916","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103541","17.096","0.002","17.193","0.002","23.436","0.003","92.103","0.0018","93.6893","0.0018","98.6202","0.0018","6789.1","1.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C62.5 H60.5 Cl3.5 F8 Ir2 O8 P4 S2 -","- C62.5 H60.5 Cl3.5 F8 Ir2 O8 P4 S2 -","- C250 H242 Cl14 F32 Ir8 O32 P16 S8 -","4","2","","Michael E. Slaney; D. Jason Anderson; Michael J. Ferguson; Robert McDonald; Martin Cowie","The Bridged Binding Mode as a New, Versatile Template for the Selective Activation of Carbon-Fluorine Bonds in Fluoroolefins: Activation of Trifluoroethylene","Journal of the American Chemical Society","2010","132","","16544","16558","10.1021/ja106723u","","","0.71073","MoKα","","0.1117","0.0783","","","0.1768","0.1939","","","","","","1.062","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103542","13.0038","0.0004","24.7743","0.0008","18.3417","0.0006","90","","94.3755","0.0004","90","","5891.7","0.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C59 H56 Cl2 F5 Ir2 O6.5 P4 S -","- C59 H56 Cl2 F5 Ir2 O6.5 P4 S -","- C236 H224 Cl8 F20 Ir8 O26 P16 S4 -","4","1","","Michael E. Slaney; D. Jason Anderson; Michael J. Ferguson; Robert McDonald; Martin Cowie","The Bridged Binding Mode as a New, Versatile Template for the Selective Activation of Carbon-Fluorine Bonds in Fluoroolefins: Activation of Trifluoroethylene","Journal of the American Chemical Society","2010","132","","16544","16558","10.1021/ja106723u","","","0.71073","MoKα","","0.027","0.0225","","","0.0585","0.0611","","","","","","1.017","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103543","20.9533","0.001","23.2733","0.0011","54.433","0.003","90","","90","","90","","26544","2","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C58 H50 Cl4 F6 Ir2 O9 P4 S2 -","- C56.5 H47 Cl F6 Ir2 O9 P4 S2 -","- C904 H752 Cl16 F96 Ir32 O144 P64 S32 -","16","2","","Michael E. Slaney; D. Jason Anderson; Michael J. Ferguson; Robert McDonald; Martin Cowie","The Bridged Binding Mode as a New, Versatile Template for the Selective Activation of Carbon-Fluorine Bonds in Fluoroolefins: Activation of Trifluoroethylene","Journal of the American Chemical Society","2010","132","","16544","16558","10.1021/ja106723u","","","0.71073","MoKα","","0.0893","0.058","","","0.1075","0.1165","","","","","","1.088","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103544","7.546","0.003","7.959","0.003","16.748","0.006","78.581","0.006","89.392","0.006","79.341","0.007","968.6","0.6","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H52 N2 Si2 -","- C42 H52 N2 Si2 -","- C42 H52 N2 Si2 -","1","0.5","","Yi-Yang Liu; Cheng-Li Song; Wei-Jing Zeng; Kai-Ge Zhou; Zi-Fa Shi; Chong-Bo Ma; Feng Yang; Hao-Li Zhang; Xiong Gong","High and Balanced Hole and Electron Mobilities from Ambipolar Thin-Film Transistors Based on Nitrogen-Containing Oligoacences","Journal of the American Chemical Society","2010","132","","16349","16351","10.1021/ja107046s","","","0.71073","MoKα","","0.1678","0.0742","","","0.1075","0.1165","","","","","","1.904","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103545","7.6749","0.0009","7.832","0.001","17.134","0.002","77.434","0.005","88.437","0.005","84.073","0.005","999.9","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H49 F4 N Si2 -","- C43 H49 F4 N Si2 -","- C43 H49 F4 N Si2 -","1","0.5","","Yi-Yang Liu; Cheng-Li Song; Wei-Jing Zeng; Kai-Ge Zhou; Zi-Fa Shi; Chong-Bo Ma; Feng Yang; Hao-Li Zhang; Xiong Gong","High and Balanced Hole and Electron Mobilities from Ambipolar Thin-Film Transistors Based on Nitrogen-Containing Oligoacences","Journal of the American Chemical Society","2010","132","","16349","16351","10.1021/ja107046s","","","0.71073","MoKα","","0.1772","0.0964","","","0.2181","0.2661","","","","","","1.194","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103546","13.6155","0.0012","17.7814","0.0016","16.1138","0.0014","90","","103.206","0.004","90","","3798","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 Co N6 -","- C43 H47 Co N6 -","- C172 H188 Co4 N24 -","4","1","","Crisita Carmen Hojilla Atienza; Amanda C. Bowman; Emil Lobkovsky; Paul J. Chirik","Photolysis and Thermolysis of Bis(imino)pyridine Cobalt Azides: C-H Activation from Putative Cobalt Nitrido Complexes","Journal of the American Chemical Society","2010","132","","16343","16345","10.1021/ja107288x","","","0.71073","MoKα","","0.0574","0.0355","","","0.0825","0.0927","","","","","","1.011","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103547","9.464","0.0003","11.5509","0.0003","32.3652","0.0008","90","","92.12","0.001","90","","3535.67","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 Co N4 -","- C43 H47 Co N4 -","- C172 H188 Co4 N16 -","4","1","","Crisita Carmen Hojilla Atienza; Amanda C. Bowman; Emil Lobkovsky; Paul J. Chirik","Photolysis and Thermolysis of Bis(imino)pyridine Cobalt Azides: C-H Activation from Putative Cobalt Nitrido Complexes","Journal of the American Chemical Society","2010","132","","16343","16345","10.1021/ja107288x","","","0.71073","MoKα","","0.0615","0.04","","","0.0879","0.0974","","","","","","1.029","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103548","9.898","0.0006","13.3037","0.0008","13.829","0.0008","101.844","0.003","101.392","0.003","103.947","0.003","1670.19","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H35 Co N4 -","- C37 H35 Co N4 -","- C74 H70 Co2 N8 -","2","1","","Crisita Carmen Hojilla Atienza; Amanda C. Bowman; Emil Lobkovsky; Paul J. Chirik","Photolysis and Thermolysis of Bis(imino)pyridine Cobalt Azides: C-H Activation from Putative Cobalt Nitrido Complexes","Journal of the American Chemical Society","2010","132","","16343","16345","10.1021/ja107288x","","","0.71073","MoKα","","0.0714","0.0474","","","0.1287","0.1373","","","","","","1.056","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103549","7.961","0.002","8.703","0.003","9.587","0.003","80.769","0.005","75.052","0.005","68.094","0.004","593.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 B N2 O -","- C12 H17 B N2 O -","- C24 H34 B2 N4 O2 -","2","1","","Eric R. Abbey; Lev N. Zakharov; Shih-Yuan Liu","Electrophilic Aromatic Substitution of a BN Indole","Journal of the American Chemical Society","2010","132","","16340","16342","10.1021/ja107312u","","","0.71073","MoKα","","0.0673","0.0477","","","0.108","0.1206","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103550","17.5388","0.0017","17.3342","0.0017","18.8857","0.0018","90","","90","","90","","5741.7","1","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H38 B3 N5 O -","- C27 H38 B3 N5 O -","- C216 H304 B24 N40 O8 -","8","1","","Eric R. Abbey; Lev N. Zakharov; Shih-Yuan Liu","Electrophilic Aromatic Substitution of a BN Indole","Journal of the American Chemical Society","2010","132","","16340","16342","10.1021/ja107312u","","","0.71073","MoKα","","0.0745","0.0465","","","0.1025","0.1188","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103551","25.6572","0.0005","25.6572","0.0005","25.6572","0.0005","90","","90","","90","","16889.9","0.6","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Shuangbing Han; Yanhu Wei; Cory Valente; István Lagzi; Jeremiah J. Gassensmith; Ali Coskun; J. Fraser Stoddart; Bartosz A. Grzybowski","Chromatography in a Single Metal-Organic Framework (MOF) Crystal","Journal of the American Chemical Society","2010","132","","16358","16361","10.1021/ja1074322","","","0.71073","MoKα","","0.0669","0.0469","","","0.1516","0.1582","","","","","","1.009","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103552","14.6257","0.0008","11.8318","0.0004","17.3191","0.0009","90","","98.201","0.004","90","","2966.4","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H66 Cl2 Na2 O14 P2 Pd2 S2 -","- C54 H66 Cl2 Na2 O14 P2 Pd2 S2 -","- C108 H132 Cl4 Na4 O28 P4 Pd4 S4 -","2","0.5","","Thomas Rünzi; Damien Guironnet; Inigo Göttker-Schnetmann; Stefan Mecking","Reactivity of Methacrylates in Insertion Polymerization","Journal of the American Chemical Society","2010","132","","16623","16630","10.1021/ja107538r","","","0.71073","MoKα","","0.0622","0.0396","","","0.0696","0.0737","","","","","","1.095","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103553","9.319","0.003","14.771","0.004","23.304","0.002","90","","90","","90","","3207.8","1.4","293.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H42 N2 O5 Ru S -","- C35 H41 N2 O5 Ru S -","- C140 H164 N8 O20 Ru4 S4 -","4","1","","Ilya D. Gridnev; Masahito Watanabe; Hui Wang; Takao Ikariya","Mechanism of Enantioselective C-C Bond Formation with Bifunctional Chiral Ru Catalysts: NMR and DFT Study","Journal of the American Chemical Society","2010","132","","16637","16650","10.1021/ja107597w","","","0.7107","MoKα","","","0.086","","","","0.214","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103554","7.3861","0.0002","16.9714","0.0003","22.9921","0.0004","90","","90","","90","","2882.12","0.11","200","","200","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C152 H144 O16 -","8","2","","Diem H. T. Phan; Kevin G. M. Kou; Vy M. Dong","Enantioselective Desymmetrization of Cyclopropenes by Hydroacylation","Journal of the American Chemical Society","2010","132","","16354","16355","10.1021/ja107738a","","","1.54178","CuKα","","0.0558","0.0437","","","0.1109","0.1196","","","","","","1.042","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103555","5.7293","0.0003","22.6204","0.0015","22.0844","0.0011","90","","90.022","0.003","90","","2862.1","0.3","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 Cl O2 -","- C17 H15 Cl O2 -","- C136 H120 Cl8 O16 -","8","4","","Diem H. T. Phan; Kevin G. M. Kou; Vy M. Dong","Enantioselective Desymmetrization of Cyclopropenes by Hydroacylation","Journal of the American Chemical Society","2010","132","","16354","16355","10.1021/ja107738a","","","0.71073","MoKα","","0.1229","0.0644","","","0.1469","0.1803","","","","","","1.018","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103556","6.3628","0.0002","37.8917","0.0009","6.4301","0.0002","90","","110.406","0.001","90","","1452.99","0.07","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","2","","Diem H. T. Phan; Kevin G. M. Kou; Vy M. Dong","Enantioselective Desymmetrization of Cyclopropenes by Hydroacylation","Journal of the American Chemical Society","2010","132","","16354","16355","10.1021/ja107738a","","","1.54178","CuKα","","0.0486","0.0401","","","0.1048","0.1118","","","","","","1.042","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103557","9.19214","0.00018","11.003","0.0002","15.9731","0.0003","87.8746","0.0009","77.9145","0.0009","89.7102","0.0008","1578.64","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1","P 1","1","TP-B6-90-trans","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","4","","Diem H. T. Phan; Kevin G. M. Kou; Vy M. Dong","Enantioselective Desymmetrization of Cyclopropenes by Hydroacylation","Journal of the American Chemical Society","2010","132","","16354","16355","10.1021/ja107738a","","","1.54178","CuKα","","0.0399","0.0371","","","0.1004","0.1039","","","","","","1.073","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103558","5.7856","0.0001","12.5864","0.0002","22.2215","0.0004","90","","90","","90","","1618.17","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","","Diem H. T. Phan; Kevin G. M. Kou; Vy M. Dong","Enantioselective Desymmetrization of Cyclopropenes by Hydroacylation","Journal of the American Chemical Society","2010","132","","16354","16355","10.1021/ja107738a","","","1.54178","CuKα","","0.0341","0.0324","","","0.0875","0.0898","","","","","","1.05","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103559","17.517","0.002","21.513","0.002","22.412","0.003","93.557","0.002","111.81","0.002","109.403","0.002","7228.1","1.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C294.89 H322.38 Cl29.11 N24 Ni4 O13.3 -","- C294.894 H322.384 Cl29.106 N24 Ni4 O13.298 -","- C294.894 H322.384 Cl29.106 N24 Ni4 O13.298 -","1","0.5","","Jianxin Song; Naoki Aratani; Hiroshi Shinokubo; Atsuhiro Osuka","A Porphyrin Nanobarrel That Encapsulates C60","Journal of the American Chemical Society","2010","132","","16356","16357","10.1021/ja107814s","","","0.71073","MoKα","","0.1305","0.0792","","","0.2037","0.2386","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103560","26.506","0.003","27.945","0.003","26.552","0.003","90","","90.049","0.003","90","","19667","4","90","2","90","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C416 H216 Cl12 N24 Ni4 -","- C416 H216 Cl12 N24 Ni4 -","- C832 H432 Cl24 N48 Ni8 -","2","0.5","","Jianxin Song; Naoki Aratani; Hiroshi Shinokubo; Atsuhiro Osuka","A Porphyrin Nanobarrel That Encapsulates C60","Journal of the American Chemical Society","2010","132","","16356","16357","10.1021/ja107814s","","","0.71069","MoKα","","0.1698","0.0844","","","0.1934","0.2242","","","","","","0.794","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103561","25.306","","15.147","","19.763","","90","","95.27","","90","","7543.33","","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C126 H53 N5 Ni Sc3 -","- C126 H53 N5 Ni Sc3 -","- C504 H212 N20 Ni4 Sc12 -","4","0.5","","Tai-Shan Wang; Lai Feng; Jing-Yi Wu; Wei Xu; Jun-Feng Xiang; Kai Tan; Yi-Han Ma; Jun-Peng Zheng; Li Jiang; Xin Lu; Chun-Ying Shu; Chun-Ru Wang","Planar Quinary Cluster inside a Fullerene Cage: Synthesis and Structural Characterizations of Sc3NC@C80-Ih","Journal of the American Chemical Society","2010","132","","16362","16364","10.1021/ja107843b","","","0.71073","MoKα","","0.1498","0.1436","","","0.4338","0.442","","","","","","1.905","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103562","4.1295","0.0008","6.9199","0.0014","36.035","0.0072","90","","90","","90","","1029.7","0.4","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br O3 -","- C11 H11 Br O3 -","- C44 H44 Br4 O12 -","4","1","","Shou-Fei Zhu; Xiao-Guang Song; Yu Li; Yan Cai; Qi-Lin Zhou","Enantioselective Copper-Catalyzed Intramolecular O-H Insertion: An Efficient Approach to Chiral 2-Carboxy Cyclic Ethers","Journal of the American Chemical Society","2010","132","","16374","16376","10.1021/ja1078464","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103563","6.4289","0.0002","9.9793","0.0003","12.8331","0.0004","81.995","0.002","85.672","0.002","74.704","0.002","785.77","0.04","120","2","120","2","","","","","","","","3","P 1","P 1","1","compound RRRR14b","","","- C19 H24 O2 -","- C19 H24 O2 -","- C38 H48 O4 -","2","2","","W. Christopher Boyd; Mark R. Crimmin; Lauren E. Rosebrugh; Jennifer M. Schomaker; Robert G. Bergman; F. Dean Toste","Cobalt-Mediated, Enantioselective Synthesis of C2 and C1 Dienes","Journal of the American Chemical Society","2010","132","","16365","16367","10.1021/ja107968c","","","1.54178","CuKα","","0.0318","0.0293","","","0.0737","0.0804","","","","","","1.071","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103564","20.398","0.007","5.6912","0.0019","26.77","0.009","90","","112.062","0.004","90","","2880.2","1.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 O2 -","- C16 H26 O2 -","- C128 H208 O16 -","8","2","","Bin Wang; Armando P. Ramirez; Justin J. Slade; James P. Morken","Enantioselective Synthesis of (-)-Sclerophytin A by a Stereoconvergent Epoxide Hydrolysis","Journal of the American Chemical Society","2010","132","","16380","16382","10.1021/ja108185z","","","0.71073","MoKα","","0.0579","0.0463","","","0.1126","0.1209","","","","","","1.035","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103565","11.642","0.006","7.337","0.004","20.65","0.01","90","","104.046","0.007","90","","1711.1","1.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","1","","Bin Wang; Armando P. Ramirez; Justin J. Slade; James P. Morken","Enantioselective Synthesis of (-)-Sclerophytin A by a Stereoconvergent Epoxide Hydrolysis","Journal of the American Chemical Society","2010","132","","16380","16382","10.1021/ja108185z","","","0.71073","MoKα","","0.1139","0.0634","","","0.1085","0.1245","","","","","","1.042","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103566","9.7581","0.0016","19.351","0.003","19.541","0.003","90","","90","","90","","3689.9","1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H30 O4 -","- C19 H30 O4 -","- C152 H240 O32 -","8","1","","Bin Wang; Armando P. Ramirez; Justin J. Slade; James P. Morken","Enantioselective Synthesis of (-)-Sclerophytin A by a Stereoconvergent Epoxide Hydrolysis","Journal of the American Chemical Society","2010","132","","16380","16382","10.1021/ja108185z","","","0.71073","MoKα","","0.0757","0.0581","","","0.1438","0.1524","","","","","","1.053","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103567","10.1403","0.001","7.1864","0.0007","13.9617","0.0014","90","","90","","90","","1017.42","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H12 N6 O3 -","- C9 H12 N6 O3 -","- C36 H48 N24 O12 -","4","1","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.0266","0.0261","","","0.0675","0.0681","","","","","","1.063","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103568","4.6631","0.0003","9.9982","0.0006","12.2965","0.0007","70.93","0.004","81.342","0.003","77.812","0.004","527.55","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N6 O3 -","- C8 H12 N6 O3 -","- C16 H24 N12 O6 -","2","1","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.0439","0.038","","","0.1047","0.1094","","","","","","1.077","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103569","24.617","0.014","6.42","0.004","14.466","0.008","90","","113.892","0.008","90","","2090","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 N6 O2 -","- C9 H12 N6 O2 -","- C72 H96 N48 O16 -","8","1","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.0573","0.0432","","","0.1103","0.1196","","","","","","1.035","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103570","4.576","0.002","13.064","0.006","20.128","0.009","90","","90.429","0.007","90","","1203.2","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 N6 O3 -","- C10 H14 N6 O3 -","- C40 H56 N24 O12 -","4","1","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.0913","0.0603","","","0.1269","0.1375","","","","","","1.076","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103571","7.749","0.0002","11.1967","0.0003","14.0827","0.0004","90","","90","","90","","1221.86","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N6 O4 -","- C10 H14 N6 O4 -","- C40 H56 N24 O16 -","4","1","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.0305","0.0302","","","0.0779","0.0781","","","","","","1.021","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103572","4.4783","0.0015","18.704","0.006","14.171","0.005","90","","98.611","0.006","90","","1173.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 N6 O4 -","- C10 H14 N6 O4 -","- C40 H56 N24 O16 -","4","1","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.0972","0.0481","","","0.0893","0.1038","","","","","","1.049","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103573","21.777","0.003","7.1528","0.0011","19.562","0.003","90","","111.419","0.002","90","","2836.7","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 D22 N14 O11 -","- C22 H14 D22 N14 O11 -","- C88 H56 D88 N56 O44 -","4","0.5","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.0461","0.0369","","","0.0963","0.1031","","","","","","1.027","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103574","6.8414","0.0019","25.756","0.007","10.444","0.003","90","","90","","90","","1840.3","0.9","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H17 Cl N12 O2 -","- C16 H17 Cl N12 O2 -","- C64 H68 Cl4 N48 O8 -","4","0.5","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.1007","0.0716","","","0.1784","0.1952","","","","","","1.068","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103575","14.87","0.003","7.1093","0.0012","14.467","0.002","90","","114.471","0.002","90","","1392","0.4","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H16 D16 N14 O9 -","- C24 H16 D16 N14 O9 -","- C48 H32 D32 N28 O18 -","2","0.5","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.0598","0.0479","","","0.122","0.133","","","","","","1.055","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103576","4.853","0.0003","9.2338","0.0006","16.2177","0.0011","78.939","0.003","84.916","0.004","81.822","0.004","704.58","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13.5 H15 N7 O2.5 -","- C13.5 H15 N7 O2.5 -","- C27 H30 N14 O5 -","2","1","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.0436","0.0397","","","0.103","0.1066","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103577","9.6826","0.0002","16.0482","0.0004","19.6919","0.0005","90","","90","","90","","3059.89","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 N3 O8 -","- C30 H41 N3 O8 -","- C120 H164 N12 O32 -","4","1","","Lisa A. Marcaurelle; Eamon Comer; Sivaraman Dandapani; Jeremy R. Duvall; Baudouin Gerard; Sarathy Kesavan; Maurice D. Lee; Haibo Liu; Jason T. Lowe; Jean-Charles Marie; Carol A. Mulrooney; Bhaumik A. Pandya; Ann Rowley; Troy D. Ryba; Byung-Chul Suh; Jingqiang Wei; Damian W. Young; Lakshmi B. Akella; Nathan T. Ross; Yan-Ling Zhang; Daniel M. Fass; Surya A. Reis; Wen-Ning Zhao; Stephen J. Haggarty; Michelle Palmer; Michael A. Foley","An Aldol-Based Build/Couple/Pair Strategy for the Synthesis of Medium- and Large-Sized Rings: Discovery of Macrocyclic Histone Deacetylase Inhibitors","Journal of the American Chemical Society","2010","132","","16962","16976","10.1021/ja105119r","","","1.54178","CuKα","","0.0267","0.0264","","","0.0687","0.069","","","","","","1.059","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103578","9.4979","0.0002","14.121","0.0003","25.283","0.0004","90","","90","","90","","3390.95","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H49 N3 O9 -","- C35 H49 N3 O9 -","- C140 H196 N12 O36 -","4","1","","Lisa A. Marcaurelle; Eamon Comer; Sivaraman Dandapani; Jeremy R. Duvall; Baudouin Gerard; Sarathy Kesavan; Maurice D. Lee; Haibo Liu; Jason T. Lowe; Jean-Charles Marie; Carol A. Mulrooney; Bhaumik A. Pandya; Ann Rowley; Troy D. Ryba; Byung-Chul Suh; Jingqiang Wei; Damian W. Young; Lakshmi B. Akella; Nathan T. Ross; Yan-Ling Zhang; Daniel M. Fass; Surya A. Reis; Wen-Ning Zhao; Stephen J. Haggarty; Michelle Palmer; Michael A. Foley","An Aldol-Based Build/Couple/Pair Strategy for the Synthesis of Medium- and Large-Sized Rings: Discovery of Macrocyclic Histone Deacetylase Inhibitors","Journal of the American Chemical Society","2010","132","","16962","16976","10.1021/ja105119r","","","1.54178","CuKα","","0.0268","0.0267","","","0.0677","0.0677","","","","","","1.061","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103579","10.7412","0.0003","9.4434","0.0002","14.6583","0.0004","90","","92.428","0.001","90","","1485.51","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H45 N5 O6 -","- C29 H45 N5 O6 -","- C58 H90 N10 O12 -","2","1","","Lisa A. Marcaurelle; Eamon Comer; Sivaraman Dandapani; Jeremy R. Duvall; Baudouin Gerard; Sarathy Kesavan; Maurice D. Lee; Haibo Liu; Jason T. Lowe; Jean-Charles Marie; Carol A. Mulrooney; Bhaumik A. Pandya; Ann Rowley; Troy D. Ryba; Byung-Chul Suh; Jingqiang Wei; Damian W. Young; Lakshmi B. Akella; Nathan T. Ross; Yan-Ling Zhang; Daniel M. Fass; Surya A. Reis; Wen-Ning Zhao; Stephen J. Haggarty; Michelle Palmer; Michael A. Foley","An Aldol-Based Build/Couple/Pair Strategy for the Synthesis of Medium- and Large-Sized Rings: Discovery of Macrocyclic Histone Deacetylase Inhibitors","Journal of the American Chemical Society","2010","132","","16962","16976","10.1021/ja105119r","","","1.54178","CuKα","","0.0249","0.0248","","","0.0636","0.0637","","","","","","1.029","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103580","15.6441","0.0009","12.0357","0.0007","19.9182","0.0012","90","","90","","90","","3750.4","0.4","153","2","153","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H26 N2 O4 Pd -","- C16 H26 N2 O4 Pd -","- C128 H208 N16 O32 Pd8 -","8","1","","Peter Hauwert; Romilda Boerleider; Stefan Warsink; Jan J. Weigand; Cornelis J. Elsevier","Mechanism of Pd(NHC)-Catalyzed Transfer Hydrogenation of Alkynes","Journal of the American Chemical Society","2010","132","","16900","16910","10.1021/ja1062407","","","0.71073","MoKα","","0.0312","0.0224","","","0.0506","0.0544","","","","","","1.024","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103581","14.718","0.002","8.9472","0.0012","17.545","0.002","90","","90","","90","","2310.4","0.5","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H0 Cl2 Co N5 O8 -","- C14 Cl2 Co N5 O8 -","- C56 Cl8 Co4 N20 O32 -","4","0.5","","Jaeheung Cho; Ritimukta Sarangi; Hye Yeon Kang; Jung Yoon Lee; Minoru Kubo; Takashi Ogura; Edward I. Solomon; Wonwoo Nam","Synthesis, Structural, and Spectroscopic Characterization and Reactivities of Mononuclear Cobalt(III)-Peroxo Complexes","Journal of the American Chemical Society","2010","132","","16977","16986","10.1021/ja107177m","","","0.71073","MoKα","","0.1098","0.0794","","","0.2227","0.2324","","","","","","1.03","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103582","12.2417","0.0015","27.912","0.003","11.1477","0.0013","90","","110.063","0.002","90","","3577.9","0.7","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H51 B Co N5 O2 -","- C38 H51 B Co N5 O2 -","- C152 H204 B4 Co4 N20 O8 -","4","1","","Jaeheung Cho; Ritimukta Sarangi; Hye Yeon Kang; Jung Yoon Lee; Minoru Kubo; Takashi Ogura; Edward I. Solomon; Wonwoo Nam","Synthesis, Structural, and Spectroscopic Characterization and Reactivities of Mononuclear Cobalt(III)-Peroxo Complexes","Journal of the American Chemical Society","2010","132","","16977","16986","10.1021/ja107177m","","","0.71073","MoKα","","0.103","0.0365","","","0.0481","0.0523","","","","","","0.96","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103583","9.2584","0.0006","9.2584","0.0006","14.1473","0.0017","90","","90","","90","","1212.68","0.18","298","2","298","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C15 H0 Cl2 Co N5 O8 -","- C15 Cl2 Co N5 O8 -","- C30 Cl4 Co2 N10 O16 -","2","0.125","","Jaeheung Cho; Ritimukta Sarangi; Hye Yeon Kang; Jung Yoon Lee; Minoru Kubo; Takashi Ogura; Edward I. Solomon; Wonwoo Nam","Synthesis, Structural, and Spectroscopic Characterization and Reactivities of Mononuclear Cobalt(III)-Peroxo Complexes","Journal of the American Chemical Society","2010","132","","16977","16986","10.1021/ja107177m","","","0.71073","MoKα","","0.0846","0.0673","","","0.1745","0.1807","","","","","","1.065","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103584","12.789","0.003","9.5673","0.0018","17.218","0.003","90","","90","","90","","2106.7","0.7","170","2","170","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C15 H33 Cl Co N5 O6 -","- C15 H33 Cl Co N5 O6 -","- C60 H132 Cl4 Co4 N20 O24 -","4","1","","Jaeheung Cho; Ritimukta Sarangi; Hye Yeon Kang; Jung Yoon Lee; Minoru Kubo; Takashi Ogura; Edward I. Solomon; Wonwoo Nam","Synthesis, Structural, and Spectroscopic Characterization and Reactivities of Mononuclear Cobalt(III)-Peroxo Complexes","Journal of the American Chemical Society","2010","132","","16977","16986","10.1021/ja107177m","","","0.71073","MoKα","","0.038","0.0345","","","0.1101","0.1164","","","","","","1.003","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103585","14.405","0.0006","11.3697","0.0005","15.8982","0.0006","90","","110.767","0.002","90","","2434.65","0.18","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Fe O4 P S -","- C28 H19 Fe O4 P S -","- C112 H76 Fe4 O16 P4 S4 -","4","1","","Aaron M. Royer; Marco Salomone-Stagni; Thomas B. Rauchfuss; Wolfram Meyer-Klaucke","Iron Acyl Thiolato Carbonyls: Structural Models for the Active Site of the [Fe]-Hydrogenase (Hmd)","Journal of the American Chemical Society","2010","132","","16997","17003","10.1021/ja1072228","","","0.71073","MoKα","","0.0403","0.0289","","","0.0735","0.0778","","","","","","1.027","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103586","8.138","0.0002","14.3161","0.0002","17.5802","0.0003","90","","92.253","0.001","90","","2046.59","0.07","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Cl N2 O P Ru -","- C20 H28 Cl N2 O P Ru -","- C80 H112 Cl4 N8 O4 P4 Ru4 -","4","1","","Ekambaram Balaraman; Boopathy Gnanaprakasam; Linda J. W. Shimon; David Milstein","Direct Hydrogenation of Amides to Alcohols and Amines under Mild Conditions","Journal of the American Chemical Society","2010","132","","16756","16758","10.1021/ja1080019","","","0.71073","MoKα","","0.0435","0.0326","","","0.0781","0.0834","","","","","","0.994","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103587","9.6642","0.0007","16.121","0.0011","29.301","0.002","90","","90","","90","","4565","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C57 H52 Fe N2 -","- C57 H52 Fe N2 -","- C228 H208 Fe4 N8 -","4","1","","Bin Hu; Meng Meng; Zheng Wang; Wenting Du; John S. Fossey; Xinquan Hu; Wei-Ping Deng","A Highly Selective Ferrocene-Based Planar Chiral PIP (Fc-PIP) Acyl Transfer Catalyst for the Kinetic Resolution of Alcohols","Journal of the American Chemical Society","2010","132","","17041","17044","10.1021/ja108238a","","","0.71073","MoKα","","0.0818","0.0605","","","0.153","0.1629","","","","","","1.017","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103588","12.1421","0.0003","12.9364","0.0003","19.6945","0.0006","89.147","0.002","72.124","0.001","86.319","0.001","2938.06","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H47 B F24 O P Rh -","- C60 H47 B F24 O P Rh -","- C120 H94 B2 F48 O2 P2 Rh2 -","2","1","","Jesús Campos; Ana C. Esqueda; Joaquín López-Serrano; Luis Sánchez; Fernando P. Cossio; Abel de Cozar; Eleuterio Álvarez; Celia Maya; Ernesto Carmona","A Cationic Rh(III) Complex That Efficiently Catalyzes Hydrogen Isotope Exchange in Hydrosilanes","Journal of the American Chemical Society","2010","132","","16765","16767","10.1021/ja108521b","","","0.71073","MoKα","","0.0593","0.0459","","","0.1164","0.1273","","","","","","1.05","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103589","25.6591","0.0013","7.8808","0.0004","13.9773","0.0008","90","","90","","90","","2826.4","0.3","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C27 H35 F6 P Rh Sb -","- C27 H35 F6 P Rh Sb -","- C108 H140 F24 P4 Rh4 Sb4 -","4","1","","Jesús Campos; Ana C. Esqueda; Joaquín López-Serrano; Luis Sánchez; Fernando P. Cossio; Abel de Cozar; Eleuterio Álvarez; Celia Maya; Ernesto Carmona","A Cationic Rh(III) Complex That Efficiently Catalyzes Hydrogen Isotope Exchange in Hydrosilanes","Journal of the American Chemical Society","2010","132","","16765","16767","10.1021/ja108521b","","","0.71073","MoKα","","0.0606","0.0333","","","0.0608","0.07","","","","","","1.055","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103590","10.922","0.002","15.497","0.003","21.965","0.004","90","","90","","90","","3717.8","1.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C168 H192 O48 -","8","1","","Jianxian Gong; Guang Lin; Wenbo Sun; Chuang-Chuang Li; Zhen Yang","Total Synthesis of (\±) Maoecrystal V","Journal of the American Chemical Society","2010","132","","16745","16746","10.1021/ja108907x","","","0.71073","MoKα","","0.0966","0.0396","","","0.0649","0.0854","","","","","","0.779","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103591","10.9153","0.0018","16.404","0.003","18.292","0.003","105.255","0.002","104.71","0.002","109.116","0.002","2770","0.8","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","1,1,4,4-Tetrakis[bis(trimethylsilyl)methyl]- 1-(2,2-dimethylpropyl)-4-isopropyl-2-tetrasilyne","","- C36 H94 Si12 -","- C36 H94 Si12 -","- C72 H188 Si24 -","2","1","","Yoshitaka Murata; Masaaki Ichinohe; Akira Sekiguchi","Unsymmetrically Substituted Disilyne Dsi2iPrSi-Si\τbSi-SiNpDsi2 (Np = CH2tBu): Synthesis and Characterization","Journal of the American Chemical Society","2010","132","","16768","16770","10.1021/ja1091744","","","0.71073","MoKα","","0.0931","0.0508","","","0.1212","0.1376","","","","","","1.04","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103592","8.8119","0.0014","12.913","0.002","24.946","0.004","90","","90","","90","","2838.6","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","09046b","","","- C26 H42 Fe N4 O4 S2 -","- C26 H42 Fe N4 O4 S2 -","- C104 H168 Fe4 N16 O16 S8 -","4","1","","Aidan R. McDonald; Michael R. Bukowski; Erik R. Farquhar; Timothy A. Jackson; Kevin D. Koehntop; Mi Sook Seo; Raymond F. De Hont; Audria Stubna; Jason A. Halfen; Eckard Münck; Wonwoo Nam; Lawrence Que","Sulfur versus Iron Oxidation in an Iron-Thiolate Model Complex","Journal of the American Chemical Society","2010","132","","17118","17129","10.1021/ja1045428","","","0.71073","MoKα","","0.0487","0.0382","","","0.0765","0.0798","","","","","","1.068","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103593","7.638","0.004","12.046","0.006","17.893","0.009","90","","100.166","0.009","90","","1620.4","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H17 Cl6 O4 P -","- C8 H17 Cl6 O4 P -","- C32 H68 Cl24 O16 P4 -","4","1","","Zin-Min Tun; Matthew J. Panzner; Vincenzo Scionti; Douglas Medvetz; Chrys Wesdemiotis; Wiley J. Youngs; Claire Tessier","Crown Ether Complexes of HPCl6","Journal of the American Chemical Society","2010","132","","17059","17061","10.1021/ja1064697","","","0.71073","MoKα","","0.0611","0.0414","","","0.0947","0.0992","","","","","","0.973","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103594","8.8731","0.0007","11.6179","0.0009","18.3623","0.0014","92.626","0.001","96.303","0.001","109.978","0.001","1761.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H49 Cl6 O12 P -","- C24 H49 Cl6 O12 P -","- C48 H98 Cl12 O24 P2 -","2","1","","Zin-Min Tun; Matthew J. Panzner; Vincenzo Scionti; Douglas Medvetz; Chrys Wesdemiotis; Wiley J. Youngs; Claire Tessier","Crown Ether Complexes of HPCl6","Journal of the American Chemical Society","2010","132","","17059","17061","10.1021/ja1064697","","","0.71073","MoKα","","0.0431","0.0347","","","0.0901","0.0924","","","","","","1.084","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103595","6.3748","0.0003","8.6854","0.0003","14.2983","0.0006","90","","92.48","0.003","90","","790.92","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 O2 Si -","- C16 H20 O2 Si -","- C32 H40 O4 Si2 -","2","1","","John F. Briones; Jørn Hansen; Kenneth I. Hardcastle; Jochen Autschbach; Huw M. L. Davies","Highly Enantioselective Rh2(S-DOSP)4- Catalyzed Cyclopropenation of Alkynes with Styryldiazoacetates","Journal of the American Chemical Society","2010","132","","17211","17215","10.1021/ja106509b","","","1.54178","CuKα","","0.0387","0.0373","","","0.1038","0.105","","","","","","1.071","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103596","8.4047","0.0004","5.5397","0.0003","17.0558","0.0007","90","","91.048","0.003","90","","793.98","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C40 H40 O4 -","2","1","","John F. Briones; Jørn Hansen; Kenneth I. Hardcastle; Jochen Autschbach; Huw M. L. Davies","Highly Enantioselective Rh2(S-DOSP)4- Catalyzed Cyclopropenation of Alkynes with Styryldiazoacetates","Journal of the American Chemical Society","2010","132","","17211","17215","10.1021/ja106509b","","","1.54178","CuKα","","0.043","0.0338","","","0.091","0.1016","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103597","7.9946","0.0006","9.1402","0.0006","6.2269","0.0004","90","","99.584","0.006","90","","448.66","0.05","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","2-hydroxy-5-Nitrotetrazole","5-nitro-2H-tetrazol-2-ol","","- C H N5 O3 -","- C H N5 O3 -","- C4 H4 N20 O12 -","4","1","","Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer","Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction","Journal of the American Chemical Society","2010","132","","17216","17226","10.1021/ja106892a","","","0.71073","MoKα","","0.027","0.022","","","0.0428","0.0437","","","","","","0.921","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103598","8.489","0.005","12.341","0.005","5.626","0.005","90","0.005","91.221","0.005","90","0.005","589.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","HNTX","hydroxylammonium 5-nitro-2H-tetrazol-2-olate","","- C H4 N6 O4 -","- C H4 N6 O4 -","- C4 H16 N24 O16 -","4","1","","Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer","Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction","Journal of the American Chemical Society","2010","132","","17216","17226","10.1021/ja106892a","","","0.71073","MoKα","","0.0349","0.0246","","","0.0571","0.0592","","","","","","0.928","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103599","10.267","0.003","12.622","0.002","7.37","0.003","90","","93.724","0.005","90","","953.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TAGNTX","triaminoguanidinium 5-nitro-2H-tetrazol-2-olate","","- C2 H9 N11 O3 -","- C2 H9 N11 O3 -","- C8 H36 N44 O12 -","4","1","","Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer","Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction","Journal of the American Chemical Society","2010","132","","17216","17226","10.1021/ja106892a","","","0.71073","MoKα","","0.0607","0.0332","","","0.0699","0.0753","","","","","","0.88","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103600","7.812","0.003","15.783","0.002","6.619","0.003","90","","100.194","0.005","90","","803.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","AGNTX","aminoguanidinium 5-nitro-2H-tetrazol-2-olate","","- C2 H7 N9 O3 -","- C2 H7 N9 O3 -","- C8 H28 N36 O12 -","4","1","","Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer","Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction","Journal of the American Chemical Society","2010","132","","17216","17226","10.1021/ja106892a","","","0.71073","MoKα","","0.0795","0.0359","","","0.0538","0.0582","","","","","","0.842","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103601","6.061","0.0008","7.5528","0.0009","8.2886","0.0009","79.36","0.01","89.576","0.01","85.918","0.011","371.96","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","GNTX","guanidinium 5-nitro-2H-tetrazol-2-olate","","- C2 H6 N8 O3 -","- C2 H6 N8 O3 -","- C4 H12 N16 O6 -","2","1","","Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer","Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction","Journal of the American Chemical Society","2010","132","","17216","17226","10.1021/ja106892a","","","0.71073","MoKα","","0.1166","0.076","","","0.1943","0.2089","","","","","","0.906","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103602","9.3989","0.0004","7.9263","0.0003","15.2618","0.0006","90","","90","","90","","1136.98","0.08","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","ANTX","ammonium 5-nitro-2H-tetrazol-2-olate","","- C H4 N6 O3 -","- C H4 N6 O3 -","- C8 H32 N48 O24 -","8","1","","Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer","Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction","Journal of the American Chemical Society","2010","132","","17216","17226","10.1021/ja106892a","","","0.71073","MoKα","","0.0336","0.0259","","","0.0638","0.0659","","","","","","0.958","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103603","6.4344","0.0006","8.0055","0.0007","8.516","0.0008","90.218","0.007","94.461","0.007","97.519","0.007","433.53","0.07","173","2","173","","","","","","","","","4","P -1","-P 1","2","1,3-diaminoguanidinium 5-nitrotetrazolate-N-oxide","1,3-diaminoguanidinium 5-nitrotetrazolate-N-oxide","","- C2 H8 N10 O3 -","- C2 H8 N10 O3 -","- C4 H16 N20 O6 -","2","1","","Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer","Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction","Journal of the American Chemical Society","2010","132","","17216","17226","10.1021/ja106892a","","","0.71073","MoKα","","0.081","0.0409","","","0.0932","0.1035","","","","","","0.885","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103604","25.714","0.0013","25.714","0.0013","25.714","0.0013","90","","90","","90","","17002.3","1.5","296","2","296","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C74 H42 In9 N O56 -","- C74.04 H24 In9 N1.03 O56 -","- C296.16 H96 In36 N4.12 O224 -","4","0.0833333","","Shou-Tian Zheng; Julia T. Bu; Yufei Li; Tao Wu; Fan Zuo; Pingyun Feng; Xianhui Bu","Pore Space Partition and Charge Separation in Cage-within-Cage Indium-Organic Frameworks with High CO2 Uptake","Journal of the American Chemical Society","2010","132","","17062","17064","10.1021/ja106903p","","","0.71073","MoKα","","0.0988","0.0906","","","0.2488","0.2565","","","","","","1.203","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103605","25.182","0.005","25.182","0.005","26.944","0.01","90","","90","","90","","17086","8","296","2","296","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- C74 H46 In9 N O58 -","- C74 H30 In9 N O58 -","- C296 H120 In36 N4 O232 -","4","0.25","","Shou-Tian Zheng; Julia T. Bu; Yufei Li; Tao Wu; Fan Zuo; Pingyun Feng; Xianhui Bu","Pore Space Partition and Charge Separation in Cage-within-Cage Indium-Organic Frameworks with High CO2 Uptake","Journal of the American Chemical Society","2010","132","","17062","17064","10.1021/ja106903p","","","0.71073","MoKα","","0.1388","0.1247","","","0.2799","0.2891","","","","","","1.091","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103606","25.8066","0.0011","25.8066","0.0011","25.8066","0.0011","90","","90","","90","","17186.7","1.3","296","2","296","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C48.67 H28 In6 N0.67 O37.33 -","- C48.64 In6 N0.64 O37.3333 -","- C291.84 In36 N3.84 O224 -","6","0.125","","Shou-Tian Zheng; Julia T. Bu; Yufei Li; Tao Wu; Fan Zuo; Pingyun Feng; Xianhui Bu","Pore Space Partition and Charge Separation in Cage-within-Cage Indium-Organic Frameworks with High CO2 Uptake","Journal of the American Chemical Society","2010","132","","17062","17064","10.1021/ja106903p","","","0.71073","MoKα","","0.1179","0.0982","","","0.2765","0.315","","","","","","1.087","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103607","8.9362","0.0014","12.1541","0.0019","23.537","0.004","90","","100.913","0.003","90","","2510.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.0794","0.0443","","","0.1005","0.1194","","","","","","1.012","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103608","8.9723","0.0004","12.1679","0.0005","23.6779","0.001","90","","100.79","0.001","90","","2539.31","0.19","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.0873","0.0432","","","0.0962","0.1157","","","","","","1.009","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103609","8.9994","0.0004","12.1797","0.0005","23.7616","0.0011","90","","100.794","0.001","90","","2558.4","0.2","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.0889","0.0449","","","0.0957","0.1178","","","","","","1.033","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103610","9.0255","0.0005","12.1959","0.0007","23.8577","0.0014","90","","100.903","0.001","90","","2578.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.0759","0.0374","","","0.0905","0.1073","","","","","","1.037","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103611","9.0436","0.0005","12.2062","0.0006","23.8971","0.0012","90","","100.55","0.0007","90","","2593.4","0.2","310","2","310","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.0867","0.0475","","","0.106","0.1258","","","","","","1.003","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103612","9.0564","0.0005","12.2219","0.0007","23.9314","0.0013","90","","100.435","0.0008","90","","2605.1","0.3","320","2","320","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.0852","0.0464","","","0.1042","0.1241","","","","","","1.001","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103613","9.0665","0.0005","12.236","0.0007","23.9586","0.0014","90","","100.298","0.0009","90","","2615.1","0.3","330","2","330","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.0821","0.0458","","","0.1051","0.1242","","","","","","1.024","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103614","9.0734","0.0006","12.2494","0.0008","23.9794","0.0015","90","","100.139","0.001","90","","2623.5","0.3","340","2","340","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.0854","0.0472","","","0.1051","0.1256","","","","","","1.016","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103615","9.0481","0.0018","12.551","0.003","23.981","0.005","90","","96.258","0.002","90","","2707.1","1","350","2","350","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.1051","0.0549","","","0.1373","0.1698","","","","","","1.008","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103616","9.076","0.003","12.584","0.004","24.054","0.008","90","","96.268","0.004","90","","2730.8","1.5","360","2","360","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.1091","0.0546","","","0.137","0.1702","","","","","","1.03","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103617","9.049","0.003","12.555","0.005","24.019","0.009","90","","96.053","0.005","90","","2713.6","1.7","340","2","340","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.0701","0.0407","","","0.0989","0.1224","","","","","","1.047","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103618","9.038","0.003","12.546","0.004","23.977","0.008","90","","95.987","0.004","90","","2703.9","1.5","330","2","330","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.0884","0.0425","","","0.1089","0.1387","","","","","","1.029","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103619","9.0505","0.0005","12.2165","0.0006","23.9182","0.0012","90","","100.45","0.0008","90","","2600.7","0.2","320","2","320","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.0835","0.0453","","","0.103","0.1221","","","","","","1.01","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103620","7.972","0.002","7.973","0.002","22.773","0.006","85.259","0.005","85.096","0.005","89.96","0.005","1437.2","0.6","173","2","173","2","","","101.3","","","","","4","P -1","-P 1","2","4,5,6,7-tetrafluorobenzo-2,1,3-telluradiazole","4,5,6,7-tetrafluorobenzo-2,1,3-telluradiazole","","- C6 F4 N2 Te -","- C6 F4 N2 Te -","- C48 F32 N16 Te8 -","8","4","","Anthony F. Cozzolino; Pamela S. Whitfield; Ignacio Vargas-Baca","Supramolecular Chromotropism of the Crystalline Phases of 4,5,6,7-Tetrafluorobenzo-2,1,3-telluradiazole","Journal of the American Chemical Society","2010","132","","17265","17270","10.1021/ja107252f","","x-ray","0.71073","MoKα","","0.1512","0.0732","","","0.1388","0.1699","","","","","","0.985","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103621","5.423","0.002","10.807","0.004","20.081","0.007","90","","92.644","0.008","90","","1175.6","0.7","173","2","173","2","","","101.3","","","","","5","P 1 21/c 1","-P 2ybc","14","4,5,6,7-tetrafluorobenzo-2,1,3-telluradiazole pyridine solvate","4,5,6,7-tetrafluorobenzo-2,1,3-telluradiazole pyridine solvate","","- C11 H5 F4 N3 Te -","- C11 H5 F4 N3 Te -","- C44 H20 F16 N12 Te4 -","4","1","","Anthony F. Cozzolino; Pamela S. Whitfield; Ignacio Vargas-Baca","Supramolecular Chromotropism of the Crystalline Phases of 4,5,6,7-Tetrafluorobenzo-2,1,3-telluradiazole","Journal of the American Chemical Society","2010","132","","17265","17270","10.1021/ja107252f","","x-ray","0.71073","MoKα","","0.0844","0.0433","","","0.0791","0.0912","","","","","","0.993","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103622","11.2007","0.0009","11.5746","0.0009","14.1492","0.0012","89.986","0.002","84.365","0.002","68.284","0.001","1694.6","0.2","273","2","273","2","","","","","","","","9","P -1","-P 1","2","","","","- C20 H29 B F3 N8 O5 P S W -","- C22 H31 B F3 N9 O7.878 P S2 W -","- C44 H62 B2 F6 N18 O15.756 P2 S4 W2 -","2","1","","Daniel P. Harrison; Michal Sabat; William H. Myers; W. Dean Harman","Polarization of the Pyridine Ring: Highly Functionalized Piperidines from Tungsten-Pyridine Complex","Journal of the American Chemical Society","2010","132","","17282","17295","10.1021/ja107536w","","","0.71073","MoKα","","0.0496","0.0431","","","0.1102","0.1152","","","","","","1.026","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103623","16.5913","0.0006","23.588","0.0009","16.1339","0.0006","90","","94.488","0.001","90","","6294.7","0.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 B N9 O4 P W -","- C25 H37 B N9 O4 P W -","- C200 H296 B8 N72 O32 P8 W8 -","8","2","","Daniel P. Harrison; Michal Sabat; William H. Myers; W. Dean Harman","Polarization of the Pyridine Ring: Highly Functionalized Piperidines from Tungsten-Pyridine Complex","Journal of the American Chemical Society","2010","132","","17282","17295","10.1021/ja107536w","","","0.71073","MoKα","","0.0505","0.0364","","","0.0996","0.113","","","","","","0.836","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103624","15.38356","0.00008","16.80979","0.00009","37.8732","0.0002","90","","100.227","0.0005","90","","9638.19","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(para-Fluorophenyl)-1,2,2-(2',4',6'-triisopropylphenyl)disilene","","- C51 H73 F Si2 -","- C51 H73 F Si2 -","- C408 H584 F8 Si16 -","8","4","","Jonathan Jeck; Iulia Bejan; Andrew J. P. White; Dominik Nied; Frank Breher; David Scheschkewitz","Transfer of a Disilenyl Moiety to Aromatic Substrates and Lateral Functional Group Transformation in Aryl Disilenes","Journal of the American Chemical Society","2010","132","","17306","17315","10.1021/ja107547s","","","1.54184","CuKα","","0.0519","0.047","","","0.1245","0.1272","","","","","","1.045","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103625","18.55902","0.00009","12.81965","0.00005","21.65869","0.00009","90","","109.634","0.0005","90","","4853.43","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(para-Chlorophenyl)-1,2,2-(2',4',6'-triisopropylphenyl)disilene","","- C51 H73 Cl Si2 -","- C51 H73 Cl Si2 -","- C204 H292 Cl4 Si8 -","4","1","","Jonathan Jeck; Iulia Bejan; Andrew J. P. White; Dominik Nied; Frank Breher; David Scheschkewitz","Transfer of a Disilenyl Moiety to Aromatic Substrates and Lateral Functional Group Transformation in Aryl Disilenes","Journal of the American Chemical Society","2010","132","","17306","17315","10.1021/ja107547s","","","1.54184","CuKα","","0.0434","0.0375","","","0.105","0.1081","","","","","","1.086","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103626","18.5602","0.0003","12.8496","0.00016","21.6993","0.0003","90","","109.514","0.0016","90","","4877.84","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(para-Bromophenyl)-1,2,2-(2',4',6'-triisopropylphenyl)disilene","","- C51 H73 Br Si2 -","- C51 H73 Br Si2 -","- C204 H292 Br4 Si8 -","4","1","","Jonathan Jeck; Iulia Bejan; Andrew J. P. White; Dominik Nied; Frank Breher; David Scheschkewitz","Transfer of a Disilenyl Moiety to Aromatic Substrates and Lateral Functional Group Transformation in Aryl Disilenes","Journal of the American Chemical Society","2010","132","","17306","17315","10.1021/ja107547s","","","0.71073","MoKα","","0.0712","0.0357","","","0.0856","0.0895","","","","","","0.909","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103627","10.2487","0.0007","21.606","0.0015","26.9115","0.0019","68.187","0.002","81.34","0.002","82.16","0.002","5448.3","0.7","173","2","173","2","","","","","","","","3","P -1","-P 1","2","meta-Phenylene-tetrasiladiene","1,3-Bis[1',2',2'-Tris(2'',4'',6''-triisopropylphenyl)disilenyl]benzene","","- C117 H163 Si4 -","- C117 H163 Si4 -","- C234 H326 Si8 -","2","1","","Jonathan Jeck; Iulia Bejan; Andrew J. P. White; Dominik Nied; Frank Breher; David Scheschkewitz","Transfer of a Disilenyl Moiety to Aromatic Substrates and Lateral Functional Group Transformation in Aryl Disilenes","Journal of the American Chemical Society","2010","132","","17306","17315","10.1021/ja107547s","","","0.71073","MoKα","","0.0824","0.0656","","","0.1484","0.1585","","","","","","1.107","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103628","9.7794","0.0005","11.7808","0.0006","14.9206","0.0007","106.794","0.002","98.093","0.002","112.487","0.002","1457.9","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H45 Cr N2 -","- C33 H45 Cr N2 -","- C66 H90 Cr2 N4 -","2","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0502","0.0381","","","0.0969","0.1043","","","","","","1.048","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103629","10.6913","0.0017","12.361","0.002","13.55","0.002","70.63","0.005","84.409","0.006","82.845","0.006","1673.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H45 Cr N2 O3 S -","- C37 H45 Cr N2 O3 S -","- C74 H90 Cr2 N4 O6 S2 -","2","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.038","0.0323","","","0.0854","0.0896","","","","","","1.018","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103630","11.3105","0.0007","16.418","0.001","17.7673","0.0011","90","","106.56","0.002","90","","3162.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41 Cr N2 O3 S -","- C35 H41 Cr N2 O3 S -","- C140 H164 Cr4 N8 O12 S4 -","4","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.049","0.0376","","","0.0959","0.1032","","","","","","1.038","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103631","10.656","0.003","11.407","0.003","14.526","0.004","109.825","0.006","90.183","0.007","110.206","0.007","1544.3","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H48 Cr N2 Si -","- C33 H48 Cr N2 Si -","- C66 H96 Cr2 N4 Si2 -","2","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0388","0.0327","","","0.0888","0.0937","","","","","","1.049","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103632","16.7572","0.0004","10.4447","0.0002","19.8127","0.0004","90","","90.835","0.001","90","","3467.33","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H57 Cr N2 Si -","- C38 H57 Cr N2 Si -","- C152 H228 Cr4 N8 Si4 -","4","2","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0401","0.036","","","0.0895","0.0926","","","","","","1.019","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103633","10.8474","0.0011","15.7337","0.0014","18.6138","0.0019","90","","90.495","0.004","90","","3176.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H49 Cr N2 Si -","- C34 H49 Cr N2 Si -","- C136 H196 Cr4 N8 Si4 -","4","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0494","0.0358","","","0.091","0.099","","","","","","1.035","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103634","10.3499","0.001","11.364","0.0011","14.9073","0.0015","100.74","0.005","104.78","0.005","112.521","0.005","1484.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H45 Cr N2 Si -","- C32 H45 Cr N2 Si -","- C64 H90 Cr2 N4 Si2 -","2","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0507","0.0393","","","0.1058","0.1138","","","","","","1.039","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103635","7.831","0.001","10.996","0.002","14.697","0.003","90.296","0.007","86.824","0.007","73.539","0.007","1211.5","0.4","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H35 Cr N2 -","- C28 H35 Cr N2 -","- C56 H70 Cr2 N4 -","2","2","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0641","0.0458","","","0.1204","0.1505","","","","","","0.966","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103636","11.2229","0.0011","14.2255","0.0015","18.1967","0.0019","110.825","0.003","94.326","0.004","95.051","0.004","2687","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H37 Cr N2 -","- C31 H37 Cr N2 -","- C124 H148 Cr4 N8 -","4","2","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0837","0.0584","","","0.1518","0.1687","","","","","","1.072","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103637","16.8366","0.0012","20.2245","0.0012","9.8941","0.0008","90","","90","","90","","3369.1","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C38 H53 Cr N2 O -","- C38 H53 Cr N2 O -","- C152 H212 Cr4 N8 O4 -","4","0.5","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71069","MoKα","","0.0897","0.0605","","","0.162","0.1796","","","","","","1.027","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103638","20.291","0.0005","9.54","0.0004","29.399","0.001","90","","90","","90","","5690.9","0.3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H34 Cl0 Cr N2 O0 -","- C33.12 H38.01 Cl0.11 Cr N2 -","- C264.96 H304.08 Cl0.88 Cr8 N16 -","8","2","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0642","0.0472","","","0.1193","0.128","","","","","","1.038","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103639","14.176","0.0013","13.2281","0.0012","28.386","0.003","90","","90","","90","","5323","0.9","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H39 Cr N2 -","- C30 H39 Cr N2 -","- C240 H312 Cr8 N16 -","8","2","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0674","0.0582","","","0.1506","0.1565","","","","","","1.15","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103640","32.4301","0.0013","20.398","0.0009","10.0444","0.0004","90","","90","","90","","6644.5","0.5","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H55 Cr N2 -","- C38 H55 Cr N2 -","- C304 H440 Cr8 N16 -","8","2","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0453","0.0331","","","0.0776","0.0835","","","","","","1.063","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103641","9.1543","0.0007","11.2955","0.001","13.0131","0.0011","114.359","0.005","95.866","0.005","90.008","0.005","1218.05","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 Cr N3 -","- C28 H32 Cr N3 -","- C56 H64 Cr2 N6 -","2","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0684","0.041","","","0.0899","0.1026","","","","","","1.032","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103642","10.1851","0.0003","15.689","0.0005","17.1502","0.0005","90","","95.328","0.002","90","","2728.66","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 Cr N2 -","- C33 H37 Cr N2 -","- C132 H148 Cr4 N8 -","4","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0455","0.0355","","","0.0942","0.1014","","","","","","1.023","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103643","19.3249","0.0005","9.0312","0.0002","20.0983","0.0005","90","","98.613","0.001","90","","3468.14","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H53 Cr N2 -","- C41 H53 Cr N2 -","- C164 H212 Cr4 N8 -","4","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0373","0.0316","","","0.0837","0.0874","","","","","","1.039","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103644","8.6214","0.0014","19.146","0.003","9.5494","0.0015","90","","102.381","0.007","90","","1539.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C37 H45 Cr N2 -","- C37 H45 Cr N2 -","- C74 H90 Cr2 N4 -","2","0.5","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0458","0.0369","","","0.0975","0.103","","","","","","1.054","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103645","16.038","0.005","16.383","0.005","11.162","0.004","90","","100.889","0.014","90","","2880","1.6","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C35 H41 Cr N2 -","- C35 H41 Cr N2 -","- C140 H164 Cr4 N8 -","4","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.036","0.0314","","","0.0751","0.0776","","","","","","1.032","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103646","11.1582","0.0004","16.9822","0.0007","15.2142","0.0006","90","","101.161","0.002","90","","2828.43","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 Cr N2 -","- C34 H39 Cr N2 -","- C136 H156 Cr4 N8 -","4","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.105","0.0646","","","0.1467","0.1665","","","","","","1.084","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103647","9.3624","0.0011","12.2408","0.0014","12.6542","0.0015","65.485","0.003","89.588","0.003","87.589","0.003","1318.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H35 Cr N2 -","- C32 H35 Cr N2 -","- C64 H70 Cr2 N4 -","2","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0489","0.0402","","","0.1121","0.1187","","","","","","1.061","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103648","13.9048","0.0003","13.1968","0.0003","28.0798","0.0006","90","","90","","90","","5152.6","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H37 Cr N2 -","- C30 H37 Cr N2 -","- C240 H296 Cr8 N16 -","8","2","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0873","0.0512","","","0.1087","0.1244","","","","","","1.013","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103649","7.853","0.005","13.783","0.005","22.07","0.005","90","0.005","90.8","0.005","90","0.005","2388.6","1.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 Cr N2 -","- C28 H31 Cr N2 -","- C112 H124 Cr4 N8 -","4","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71069","MoKα","","0.0673","0.0467","","","0.1004","0.1119","","","","","","1.064","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103650","9.8834","0.0013","15.9186","0.0019","17.127","0.002","90","","92.837","0.003","90","","2691.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Cr N2 S -","- C32 H35 Cr N2 S -","- C128 H140 Cr4 N8 S4 -","4","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0586","0.0445","","","0.1181","0.1248","","","","","","1.077","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103651","20.376","0.006","16.9","0.005","10.96","0.003","90","","90","","90","","3774.1","1.9","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C73 Cl4 S2 -","- C73 Cl4 S2 -","- C292 Cl16 S8 -","4","0.5","","Karolin Ziegler; Andreas Mueller; Konstantin Yu. Amsharov; Martin Jansen","Disclosure of the Elusive C2v-C72 Carbon Cage","Journal of the American Chemical Society","2010","132","","17099","17101","10.1021/ja108470p","","","0.71073","MoKα","","0.1035","0.0839","","","0.2529","0.2761","","","","","","1.23","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103652","20.377","0.004","16.863","0.003","10.972","0.002","90","","90","","90","","3770.2","1.2","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","C72Cl4","","","- C73 Cl4 S2 -","- C73 Cl4 S2 -","- C292 Cl16 S8 -","4","0.5","","Yuan-Zhi Tan; Ting Zhou; Jian Bao; Gui-Juan Shan; Su-Yuan Xie; Rong-Bin Huang; Lan-Sun Zheng","C72Cl4: A Pristine Fullerene with Favorable Pentagon-Adjacent Structure","Journal of the American Chemical Society","2010","132","","17102","17104","10.1021/ja108860y","","","0.71073","MoKα","","0.0842","0.0783","","","0.2211","0.2277","","","","","","1.079","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103653","3.966833","0.000086","11.54303","0.00061","7.99022","0.0004","90.2089","0.0078","89.8747","0.0062","90.0009","0.0022","365.86","0.03","","","84","","","","101.3","","","","","4","P -1","-P 1","2","4,5,6,7-tetrafluorobenzo-2,1,3-telluradiazole","4,5,6,7-tetrafluorobenzo-2,1,3-telluradiazole","","- C6 F4 N2 Te -","- C6 F4 N2 Te -","- C12 F8 N4 Te2 -","2","1","","Anthony F. Cozzolino; Pamela S. Whitfield; Ignacio Vargas-Baca","Supramolecular Chromotropism of the Crystalline Phases of 4,5,6,7-Tetrafluorobenzo-2,1,3-telluradiazole","Journal of the American Chemical Society","2010","132","","17265","17270","10.1021/ja107252f","","x-ray","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103654","5.8081","0.0003","12.9504","0.0005","45.9633","0.002","90","","90","","90","","3457.2","0.3","93.1","","93.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H43 N O8 -","- C39 H43 N O8 -","- C156 H172 N4 O32 -","4","1","","Yasuhiro Ishida; Ammathnadu S. Achalkumar; Shun-ya Kato; Yukiko Kai; Aya Misawa; Yumi Hayashi; Kuniyo Yamada; Yuki Matsuoka; Motoo Shiro; Kazuhiko Saigo","Tunable Chiral Reaction Media Based on Two-Component Liquid Crystals: Regio-, Diastereo-, and Enantiocontrolled Photodimerization of Anthracenecarboxylic Acids","Journal of the American Chemical Society","2010","132","","17435","17446","10.1021/ja105221u","","","1.54187","CuKα","","","0.0997","","","","0.2928","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103655","15.924","0.002","16.524","0.003","20.318","0.003","90","","90","","90","","5346.2","1.4","125.2","","125.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H40 N2 Yb -","- C31 H40 N2 Yb -","- C248 H320 N16 Yb8 -","8","1","","Corwin H. Booth; Daniel Kazhdan; Evan L. Werkema; Marc D. Walter; Wayne W. Lukens; Eric D. Bauer; Yung-Jin Hu; Laurent Maron; Odile Eisenstein; Martin Head-Gordon; Richard A. Andersen","Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines","Journal of the American Chemical Society","2010","132","","17537","17549","10.1021/ja106902s","","","0.7107","MoKα","","0.0883","0.037","","0.0488","","0.0395","","","","","","1.461","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103656","14.127","0.001","15.283","0.001","15.312","0.001","90","","92.18","0.002","90","","3303.5","0.4","154.2","","154.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 N2 Yb -","- C38 H48 N2 Yb -","- C152 H192 N8 Yb4 -","4","1","","Corwin H. Booth; Daniel Kazhdan; Evan L. Werkema; Marc D. Walter; Wayne W. Lukens; Eric D. Bauer; Yung-Jin Hu; Laurent Maron; Odile Eisenstein; Martin Head-Gordon; Richard A. Andersen","Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines","Journal of the American Chemical Society","2010","132","","17537","17549","10.1021/ja106902s","","","0.7107","MoKα","","0.0637","0.037","","0.0497","","0.0432","","","","","","1.229","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103657","18.0976","0.0018","15.994","0.0016","19.676","0.002","90","","90","","90","","5695.3","1","156","2","156","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cyb5dmb","cyb5","","- C32 H42 N2 Yb -","- C32 H42 N2 Yb -","- C256 H336 N16 Yb8 -","8","1","","Corwin H. Booth; Daniel Kazhdan; Evan L. Werkema; Marc D. Walter; Wayne W. Lukens; Eric D. Bauer; Yung-Jin Hu; Laurent Maron; Odile Eisenstein; Martin Head-Gordon; Richard A. Andersen","Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines","Journal of the American Chemical Society","2010","132","","17537","17549","10.1021/ja106902s","","","0.71073","MoKα","","0.0392","0.0266","","","0.0574","0.0628","","","","","","1.016","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103658","23.847","0.002","15.177","0.0015","31.291","0.003","90","","90","","90","","11325","1.8","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H42 N2 Yb -","- C34 H41.5 N2 Yb -","- C544 H664 N32 Yb16 -","16","2","","Corwin H. Booth; Daniel Kazhdan; Evan L. Werkema; Marc D. Walter; Wayne W. Lukens; Eric D. Bauer; Yung-Jin Hu; Laurent Maron; Odile Eisenstein; Martin Head-Gordon; Richard A. Andersen","Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines","Journal of the American Chemical Society","2010","132","","17537","17549","10.1021/ja106902s","","","0.71073","MoKα","","0.118","0.0507","","","0.1002","0.1205","","","","","","0.98","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103659","6.8236","0.0001","6.8236","0.0001","3.7518","0.0001","90","","90","","90","","174.689","0.006","150","2","150","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","calcium lithium carbide hydride","calcium lithium carbide hydride","","- C3 H Ca2 Li -","- C3 H Ca2 Li -","- C6 H2 Ca4 Li2 -","2","0.125","","David A. Lang; Julia V. Zaikina; Derek D. Lovingood; Thomas E. Gedris; Susan E. Latturner","Ca2LiC3H: A New Complex Carbide Hydride Phase Grown in Metal Flux","Journal of the American Chemical Society","2010","132","","17523","17530","10.1021/ja107436n","","","0.71073","MoKα","","0.0165","0.0151","","","0.0399","0.0407","","","","","","1.149","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103660","5.9696","0.0012","3.6022","0.0008","6.8336","0.0014","90","","90","","90","","146.95","0.05","150","2","150","2","","","","","","","","2","P n m a","-P 2ac 2n","62","calcium hydride","calcium hydride","","- Ca H2 -","- Ca H2 -","- Ca4 H8 -","4","0.5","","David A. Lang; Julia V. Zaikina; Derek D. Lovingood; Thomas E. Gedris; Susan E. Latturner","Ca2LiC3H: A New Complex Carbide Hydride Phase Grown in Metal Flux","Journal of the American Chemical Society","2010","132","","17523","17530","10.1021/ja107436n","","","0.71073","MoKα","","0.0212","0.0211","","","0.0529","0.053","","","","","","1.215","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103661","12.3235","0.0007","12.3235","0.0007","24.44","0.004","90","","90","","90","","3711.7","0.7","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C38 H22 Mo2 N2 O9 -","- C38 H22 Mo2 N2 O9 -","- C152 H88 Mo8 N8 O36 -","4","0.25","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.1493","0.0936","","","0.1864","0.2086","","","","","","1.007","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103662","13.914","0.004","14.263","0.004","17.484","0.005","72.778","0.003","87.742","0.003","67.93","0.003","3061.2","1.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H84 Mo4 N4 O20 -","- C116 H84 Mo4 N4 O20 -","- C116 H84 Mo4 N4 O20 -","1","0.5","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.0842","0.049","","","0.1132","0.1249","","","","","","1.016","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103663","21.868","0.016","30.763","0.016","21.215","0.013","90","","90.322","0.011","90","","14272","16","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C124 H124 Mo4 N4 O24 S8 -","- C124 H124 Mo4 N4 O24 S8 -","- C496 H496 Mo16 N16 O96 S32 -","4","0.5","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.1009","0.0671","","","0.1518","0.1632","","","","","","1.015","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103664","11.62","0.007","26.165","0.016","52.45","0.03","90","","93.314","0.008","90","","15920","16","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H48 Mo6 O30 -","- C96 H48 Mo6 O30 -","- C384 H192 Mo24 O120 -","4","1","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.1359","0.0998","","","0.2103","0.221","","","","","","1.045","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103665","16.956","0.005","42.663","0.012","33.176","0.008","90","","113.312","0.012","90","","22040","11","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C164 H117 Mo6 N5 O30 -","- C164 H117 Mo6 N5 O30 -","- C656 H468 Mo24 N20 O120 -","4","1","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.1678","0.0912","","","0.192","0.2029","","","","","","1.013","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103666","35.614","0.004","35.614","0.004","35.614","0.004","90","","90","","90","","45171","9","110","2","110","2","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","","","- C144 H72 Mo6 O30 -","- C144 H72 Mo6 O30 -","- C1152 H576 Mo48 O240 -","8","0.333333","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.2644","0.1061","","","0.1816","0.2097","","","","","","1.05","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103667","25.807","0.002","25.807","0.002","29.78","0.005","90","","90","","120","","17176","3","110","2","110","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C156 H96 Mo6 O42 -","- C156 H96 Mo6 O42 -","- C312 H192 Mo12 O84 -","2","0.166667","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.354","0.0975","","","0.1645","0.1997","","","","","","1.02","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103668","34.997","0.003","34.997","0.003","39.893","0.007","90","","90","","120","","42314","9","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H156 Mo12 N24 O54 -","- C204 H156 Mo12 N24 O54 -","- C612 H468 Mo36 N72 O162 -","3","0.166667","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.1099","0.0618","","","0.1327","0.1402","","","","","","1.004","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103669","28.41","0.011","28.674","0.011","45.274","0.017","91.126","0.005","91.473","0.006","105.233","0.006","35561","2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C312 H180 Mo12 N12 O55 -","- C312 H180 Mo12 N12 O55 -","- C624 H360 Mo24 N24 O110 -","2","1","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.1952","0.0632","","","0.1072","0.1225","","","","","","0.683","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103670","26.83","0.03","33.23","0.03","27.88","0.03","90","","91.117","0.014","90","","24852","4","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C312 H336 Mo24 N40 O124 -","- C312 H336 Mo24 N40 O124 -","- C624 H672 Mo48 N80 O248 -","2","0.5","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.2008","0.0812","","","0.1601","0.1893","","","","","","0.804","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103671","31.651","0.008","31.651","0.008","32.246","0.016","90","","90","","90","","32304","2","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H336 Mo24 N40 O152 -","- C312 H336 Mo24 N40 O152 -","- C624 H672 Mo48 N80 O304 -","2","0.125","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.1282","0.0754","","","0.1656","0.1805","","","","","","1.012","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103672","25.6486","0.0016","25.682","0.003","29.181","0.003","65.481","0.001","63.982","0.001","86.865","0.001","15524","3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C288 H288 Mo24 O118 -","- C288 H288 Mo24 O118 -","- C288 H288 Mo24 O118 -","1","0.5","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.1115","0.0618","","","0.1306","0.1404","","","","","","1.027","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103673","33.052","0.002","33.052","0.002","33.833","0.004","90","","90","","120","","32009","5","110","2","110","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C288 H144 Mo24 O120 -","- C288 H144 Mo24 O120 -","- C576 H288 Mo48 O240 -","2","0.166667","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.143","0.0768","","","0.1507","0.166","","","","","","1.018","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103674","15.91","0.001","15.91","0.001","18.953","0.003","90","","90","","120","","4154.8","0.8","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C27 H36 N4 O6 -","- C27 H36 N4 O6 -","- C162 H216 N24 O36 -","6","0.333333","","Rui Cao; Peter Müller; Stephen J. Lippard","Tripodal Tris-tacn and Tris-dpa Platforms for Assembling Phosphate-Templated Trimetallic Centers","Journal of the American Chemical Society","2010","132","","17366","17369","10.1021/ja108212v","","","0.71073","MoKα","","0.0745","0.0446","","","0.1029","0.1184","","","","","","1.02","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103675","8.8739","0.0003","10.2972","0.0004","13.4184","0.0005","105.857","0.001","101.177","0.001","97.514","0.001","1134.95","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 Br3 N -","- C24 H24 Br3 N -","- C48 H48 Br6 N2 -","2","1","","Rui Cao; Peter Müller; Stephen J. Lippard","Tripodal Tris-tacn and Tris-dpa Platforms for Assembling Phosphate-Templated Trimetallic Centers","Journal of the American Chemical Society","2010","132","","17366","17369","10.1021/ja108212v","","","0.71073","MoKα","","0.0478","0.0374","","","0.0954","0.0999","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103676","10.6831","0.0008","11.753","0.0008","19.2189","0.0014","80.627","0.001","79.368","0.001","83.438","0.001","2331.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cl2 N O3 -","- C25 H29 Cl2 N O3 -","- C100 H116 Cl8 N4 O12 -","4","2","","Rui Cao; Peter Müller; Stephen J. Lippard","Tripodal Tris-tacn and Tris-dpa Platforms for Assembling Phosphate-Templated Trimetallic Centers","Journal of the American Chemical Society","2010","132","","17366","17369","10.1021/ja108212v","","","0.71073","MoKα","","0.0589","0.045","","","0.1153","0.1256","","","","","","1.027","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103677","8.3253","0.0003","9.258","0.0004","19.6238","0.0008","86.464","0.001","80.668","0.001","70.363","0.001","1405.65","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25.25 H26 Cl2 Mn2 N4 O6.38 -","- C25.25 H26 Cl2 Mn2 N4 O6.375 -","- C50.5 H52 Cl4 Mn4 N8 O12.75 -","2","1","","Rui Cao; Peter Müller; Stephen J. Lippard","Tripodal Tris-tacn and Tris-dpa Platforms for Assembling Phosphate-Templated Trimetallic Centers","Journal of the American Chemical Society","2010","132","","17366","17369","10.1021/ja108212v","","","0.71073","MoKα","","0.0353","0.0298","","","0.0724","0.0754","","","","","","1.036","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103678","15.2562","0.0006","15.2562","0.0006","40.444","0.003","90","","90","","120","","8152.2","0.8","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C42 H66 Cl3 Cu3 F6 N10 O6 P2 -","- C42 H66 Cl3 Cu3 F6 N10 O6 P2 -","- C252 H396 Cl18 Cu18 F36 N60 O36 P12 -","6","0.333333","","Rui Cao; Peter Müller; Stephen J. Lippard","Tripodal Tris-tacn and Tris-dpa Platforms for Assembling Phosphate-Templated Trimetallic Centers","Journal of the American Chemical Society","2010","132","","17366","17369","10.1021/ja108212v","","","0.71073","MoKα","","0.0481","0.0406","","","0.108","0.1131","","","","","","1.079","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103679","15.256","0.003","15.256","0.003","40.393","0.016","90","","90","","120","","8142","4","100","2","100","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C42 H66 As Cl3 Cu3 F6 N10 O5.75 P -","- C42 H66 As Cl3 Cu3 F6 N10 O5.75 P -","- C252 H396 As6 Cl18 Cu18 F36 N60 O34.5 P6 -","6","0.333333","","Rui Cao; Peter Müller; Stephen J. Lippard","Tripodal Tris-tacn and Tris-dpa Platforms for Assembling Phosphate-Templated Trimetallic Centers","Journal of the American Chemical Society","2010","132","","17366","17369","10.1021/ja108212v","","","0.71073","MoKα","","0.1335","0.0855","","","0.2481","0.2851","","","","","","1.045","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103680","16.081","0.004","17.7073","0.0018","20.483","0.002","113.919","0.002","108.197","0.002","91.932","0.002","4977.9","1.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C104 H213.02 Cl4.34 Mn8 N24 Na4.34 O74.17 P10 -","- C104 H213.018 Cl4.336 Mn8 N24 Na4.3362 O74.1692 P10 -","- C104 H213.018 Cl4.336 Mn8 N24 Na4.3362 O74.1692 P10 -","1","0.5","","Rui Cao; Peter Müller; Stephen J. Lippard","Tripodal Tris-tacn and Tris-dpa Platforms for Assembling Phosphate-Templated Trimetallic Centers","Journal of the American Chemical Society","2010","132","","17366","17369","10.1021/ja108212v","","","0.71073","MoKα","","0.0863","0.0581","","","0.1582","0.1713","","","","","","1.04","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103681","16.2253","0.0009","17.4347","0.0009","18.0696","0.001","66.528","0.001","74.244","0.001","87.945","0.001","4497.3","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C76.75 H87.5 Cl2 Co3 F18 N15.5 O5.5 P4 -","- C76.75 H87.5 Cl2 Co3 F18 N15.5 O5.5 P4 -","- C153.5 H175 Cl4 Co6 F36 N31 O11 P8 -","2","1","","Rui Cao; Peter Müller; Stephen J. Lippard","Tripodal Tris-tacn and Tris-dpa Platforms for Assembling Phosphate-Templated Trimetallic Centers","Journal of the American Chemical Society","2010","132","","17366","17369","10.1021/ja108212v","","","0.71073","MoKα","","0.071","0.0555","","","0.1441","0.1548","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103682","11.8671","0.0016","14.0629","0.0018","14.0671","0.0017","71.37","0.006","81.391","0.008","87.499","0.01","2199.5","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2K-8-100-dp","","- C58.7 H34.7 Cl1.1 O8 -","- C58.7 H34.7 Cl1.1 O8 -","- C117.4 H69.4 Cl2.2 O16 -","2","1","","Kaiyan Lou; Allan M. Prior; Bernard Wiredu; John Desper; Duy H. Hua","Synthesis of Cyclododeciptycene Quinones","Journal of the American Chemical Society","2010","132","","17635","17641","10.1021/ja1088309","","","0.71073","MoKα","","0.1601","0.0859","","","0.21","0.2528","","","","","","1.071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103683","33.0333","0.0017","33.0333","0.0017","33.0333","0.0017","90","","90","","90","","36046","3","100","2","100","2","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","","","","- C90 H53 O13 -","- C89.952 H52.86 O12.996 -","- C1439.23 H845.76 O207.936 -","16","0.166667","","Kaiyan Lou; Allan M. Prior; Bernard Wiredu; John Desper; Duy H. Hua","Synthesis of Cyclododeciptycene Quinones","Journal of the American Chemical Society","2010","132","","17635","17641","10.1021/ja1088309","","","0.71073","MoKα","","0.1561","0.1065","","","0.2727","0.2986","","","","","","1.768","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103684","11.6556","0.0002","12.0214","0.0002","22.0847","0.0004","103.13","0.0014","99.9454","0.0015","91.5909","0.0014","2961.01","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H116 N20 O8 U4 -","- C140 H116 N20 O8 U4 -","- C140 H116 N20 O8 U4 -","1","0.5","","Clément Camp; Victor Mougel; Pawel Horeglad; Jacques Pécaut; Marinella Mazzanti","Multielectron Redox Reactions Involving C-C Coupling and Cleavage in Uranium Schiff Base Complexes","Journal of the American Chemical Society","2010","132","","17374","17377","10.1021/ja1089364","","","0.71073","MoKα","","0.0721","0.0459","","","0.1039","0.1083","","","","","","0.853","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103685","11.0533","0.0004","16.159","0.0005","18.3135","0.0006","90","","104.828","0.004","90","","3162.05","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 N4 O4 U -","- C40 H28 N4 O4 U -","- C160 H112 N16 O16 U4 -","4","1","","Clément Camp; Victor Mougel; Pawel Horeglad; Jacques Pécaut; Marinella Mazzanti","Multielectron Redox Reactions Involving C-C Coupling and Cleavage in Uranium Schiff Base Complexes","Journal of the American Chemical Society","2010","132","","17374","17377","10.1021/ja1089364","","","0.71073","MoKα","","0.0845","0.0464","","","0.0907","0.0958","","","","","","0.784","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103686","14.019","0.003","45.018","0.009","14.96","0.003","90","","116.62","0.03","90","","8441","4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C87.27 H99.27 N8.65 Na2 O16 U -","- C87.26 H99.26 N8.652 Na2 O16 U -","- C349.04 H397.04 N34.608 Na8 O64 U4 -","4","1","","Clément Camp; Victor Mougel; Pawel Horeglad; Jacques Pécaut; Marinella Mazzanti","Multielectron Redox Reactions Involving C-C Coupling and Cleavage in Uranium Schiff Base Complexes","Journal of the American Chemical Society","2010","132","","17374","17377","10.1021/ja1089364","","","0.71073","MoKα","","0.1213","0.0581","","","0.0977","0.1083","","","","","","0.907","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103687","15.209","0.0013","17.2523","0.0014","15.051","0.001","90","","99.689","0.007","90","","3892.9","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 F6 N2 O11 S2 U -","- C34 H38 F6 N2 O11 S2 U -","- C136 H152 F24 N8 O44 S8 U4 -","4","1","","Clément Camp; Victor Mougel; Pawel Horeglad; Jacques Pécaut; Marinella Mazzanti","Multielectron Redox Reactions Involving C-C Coupling and Cleavage in Uranium Schiff Base Complexes","Journal of the American Chemical Society","2010","132","","17374","17377","10.1021/ja1089364","","","0.71073","MoKα","","0.1297","0.0791","","","0.1866","0.2069","","","","","","0.936","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103688","27.5","0.003","19.024","0.002","19.263","0.002","90","","90","","90","","10077.6","1.9","90","2","90","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C52.75 H74.75 Fe2 O2 -","- C49 H66 Fe2 O2 -","- C392 H528 Fe16 O16 -","8","1","","Hao Lei; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Philip P. Power","Two-Coordinate First Row Transition Metal Complexes with Short Unsupported Metal-Metal Bonds","Journal of the American Chemical Society","2010","132","","17399","17401","10.1021/ja1089777","","","0.71073","MoKα","","0.075","0.055","","","0.1257","0.1341","","","","","","0.995","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103689","28.5365","0.0006","18.6658","0.0004","18.8017","0.0004","90","","90","","90","","10014.8","0.4","90","2","90","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C49 H66 Cr Fe O2 -","- C49 H66 Cr Fe O2 -","- C392 H528 Cr8 Fe8 O16 -","8","1","","Hao Lei; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Philip P. Power","Two-Coordinate First Row Transition Metal Complexes with Short Unsupported Metal-Metal Bonds","Journal of the American Chemical Society","2010","132","","17399","17401","10.1021/ja1089777","","","1.54178","CuKα","","0.0308","0.0305","","","0.0897","0.09","","","","","","1.102","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103690","27.3962","0.0016","19.0486","0.0011","19.3019","0.0011","90","","90","","90","","10072.9","1","90","2","90","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C52.75 H74.75 Fe Mn O2 -","- C49 H66 Fe Mn O2 -","- C392 H528 Fe8 Mn8 O16 -","8","1","","Hao Lei; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Philip P. Power","Two-Coordinate First Row Transition Metal Complexes with Short Unsupported Metal-Metal Bonds","Journal of the American Chemical Society","2010","132","","17399","17401","10.1021/ja1089777","","","0.71073","MoKα","","0.0537","0.0392","","","0.0882","0.0932","","","","","","0.992","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103691","6.2641","0.0015","9.299","0.002","21.269","0.006","90","","90","","90","","1238.9","0.5","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 F N O2 S -","- C12 H14 F N O2 S -","- C48 H56 F4 N4 O8 S4 -","4","1","","Matthew H. Katcher; Abigail G. Doyle","Palladium-Catalyzed Asymmetric Synthesis of Allylic Fluorides","Journal of the American Chemical Society","2010","132","","17402","17404","10.1021/ja109120n","","","0.71073","MoKα","","0.0581","0.045","","","0.1027","0.1112","","","","","","1.041","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103692","11.299","0.002","12.053","0.002","12.362","0.002","115.343","0.003","94.307","0.003","100.069","0.003","1476.7","0.4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","07067c","","","- C50 H43 F12 Fe N11 O8 S2 -","- C40 H28 F12 Fe N6 O8 S2 -","- C40 H28 F12 Fe N6 O8 S2 -","1","0.5","","Paul D. Oldenburg; Yan Feng; Iweta Pryjomska-Ray; Daniel Ness; Lawrence Que","Olefin Cis-Dihydroxylation with Bio-Inspired Iron Catalysts. Evidence for an FeII/FeIV Catalytic Cycle","Journal of the American Chemical Society","2010","132","","17713","17723","10.1021/ja1021014","","","0.71073","MoKα","","0.0588","0.0495","","","0.142","0.1471","","","","","","1.121","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103693","11.2171","0.0012","11.2665","0.0012","11.9035","0.0013","88.168","0.002","83.446","0.002","62.227","0.002","1322","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","07081a","","","- C48 H46 F6 Fe N10 O10 S2 -","- C48 H46 F6 Fe N10 O10 S2 -","- C48 H46 F6 Fe N10 O10 S2 -","1","0.5","","Paul D. Oldenburg; Yan Feng; Iweta Pryjomska-Ray; Daniel Ness; Lawrence Que","Olefin Cis-Dihydroxylation with Bio-Inspired Iron Catalysts. Evidence for an FeII/FeIV Catalytic Cycle","Journal of the American Chemical Society","2010","132","","17713","17723","10.1021/ja1021014","","","0.71073","MoKα","","0.0746","0.0459","","","0.1011","0.1092","","","","","","1.096","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103694","11.9738","0.0013","13.2467","0.0015","19.321","0.002","77.934","0.007","72.938","0.007","69.865","0.007","2730.6","0.5","193","2","193","2","","","","","","","","10","P -1","-P 1","2","","","","- C45 H49 B2 Cl4 F8 Fe2 N2 O3 P3 S2 -","- C45 H49 B2 Cl4 F8 Fe2 N2 O3 P3 S2 -","- C90 H98 B4 Cl8 F16 Fe4 N4 O6 P6 S4 -","2","1","","Matthew T. Olsen; Thomas B. Rauchfuss; Scott R. Wilson","Role of the Azadithiolate Cofactor in Models for [FeFe]-Hydrogenase: Novel Structures and Catalytic Implications","Journal of the American Chemical Society","2010","132","","17733","17740","10.1021/ja103998v","","","0.71073","MoKα","","0.2969","0.0796","","","0.1594","0.2443","","","","","","0.908","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103695","16.025","0.003","20.624","0.004","21.736","0.004","92.21","0.02","109.19","0.02","100.89","0.02","6623","2","301","2","301","2","","","","","","","","7","P -1","-P 1","2","","","","- C204 H198 Au18 F36 O2 P24 S6 -","- C204 H198 Au18 F36 O2 P24 S6 -","- C204 H198 Au18 F36 O2 P24 S6 -","1","0.5","","Terence Kwok-Ming Lee; Nianyong Zhu; Vivian Wing-Wah Yam","An Unprecedented Luminescent Polynuclear Gold(I) μ3-Sulfido Cluster With a Thiacrown-like Architecture","Journal of the American Chemical Society","2010","132","","17646","17648","10.1021/ja1055017","","","0.71073","MoKα","","0.09","0.0534","","","0.1552","0.1785","","","","","","1.038","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103696","14.241","0.005","8.419","0.003","15.213","0.005","90","","112.926","0.003","90","","1679.9","1","140","1","140","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O6 S2 V -","- C14 H17 N O6 S2 V -","- C56 H68 N4 O24 S8 V4 -","4","1","","Susan K. Hanson; R. Tom Baker; John C. Gordon; Brian L. Scott; L. A. ""Pete"" Silks; David L. Thorn","Mechanism of Alcohol Oxidation by Dipicolinate Vanadium(V): Unexpected Role of Pyridine","Journal of the American Chemical Society","2010","132","","17804","17816","10.1021/ja105739k","","","0.71073","MoKα","","0.0476","0.0372","","","0.0967","0.1023","","","","","","1.331","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103697","17.231","0.01","14.738","0.008","17.25","0.01","90","","96.968","0.007","90","","4348","4","140","1","140","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 N4 O6 V -","- C18 H12 N3 O6 V -","- C144 H96 N24 O48 V8 -","8","1","","Susan K. Hanson; R. Tom Baker; John C. Gordon; Brian L. Scott; L. A. ""Pete"" Silks; David L. Thorn","Mechanism of Alcohol Oxidation by Dipicolinate Vanadium(V): Unexpected Role of Pyridine","Journal of the American Chemical Society","2010","132","","17804","17816","10.1021/ja105739k","","","0.71073","MoKα","","0.0836","0.0587","","","0.1522","0.163","","","","","","1.065","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103698","8.9203","0.001","15.9259","0.0019","11.4477","0.0013","90","","92.305","0.013","90","","1625","0.3","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N2 O3 V -","- C15 H15 N2 O6 V -","- C60 H60 N8 O24 V4 -","4","1","","Susan K. Hanson; R. Tom Baker; John C. Gordon; Brian L. Scott; L. A. ""Pete"" Silks; David L. Thorn","Mechanism of Alcohol Oxidation by Dipicolinate Vanadium(V): Unexpected Role of Pyridine","Journal of the American Chemical Society","2010","132","","17804","17816","10.1021/ja105739k","","","0.71073","MoKα","","0.0602","0.0348","","","0.0693","0.0761","","","","","","0.793","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103699","14.097","0.006","14.762","0.007","34.122","0.014","90","","90.415","0.007","90","","7101","5","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C118 H56 La2 Si -","- C118 H56 La2.002 Si -","- C472 H224 La8.008 Si4 -","4","1","","Michio Yamada; Mari Minowa; Satoru Sato; Masahiro Kako; Zdenek Slanina; Naomi Mizorogi; Takahiro Tsuchiya; Yutaka Maeda; Shigeru Nagase; Takeshi Akasaka","Thermal Carbosilylation of Endohedral Dimetallofullerene La2@Ih-C80 with Silirane","Journal of the American Chemical Society","2010","132","","17953","17960","10.1021/ja108671b","","x-ray","0.6889","synchrotron","","0.2287","0.1214","","","0.3428","0.368","","","","","","0.978","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103700","20.9194","0.0007","21.4218","0.0004","21.4404","0.0008","91.558","0.002","118.826","0.004","115.036","0.002","7295.9","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C132 H316 Ag62 B4 F16 O10 S45 -","- C132 H288 Ag62 B4 F16 O10 S45 -","- C132 H288 Ag62 B4 F16 O10 S45 -","1","0.5","","Gen Li; Zhen Lei; Quan-Ming Wang","Luminescent Molecular Ag-S Nanocluster [Ag62S13(SBut)32](BF4)4","Journal of the American Chemical Society","2010","132","","17678","17679","10.1021/ja108684m","","","0.71073","MoKα","","0.1086","0.0581","","","0.1645","0.1817","","","","","","0.978","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103701","10.8863","0.0005","13.4489","0.0005","16.2121","0.0007","90","","96.366","0.001","90","","2358.96","0.17","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B Mg N3 O3 -","- C22 H32 B Mg N3 O3 -","- C88 H128 B4 Mg4 N12 O12 -","4","1","","James F. Dunne; D. Bruce Fulton; Arkady Ellern; Aaron D. Sadow","Concerted C-N and C-H Bond Formation in a Magnesium-Catalyzed Hydroamination","Journal of the American Chemical Society","2010","132","","17680","17683","10.1021/ja108881s","","","0.71073","MoKα","","0.0508","0.0368","","","0.0924","0.1011","","","","","","0.959","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103702","10.8305","0.001","16.6235","0.0015","17.299","0.0016","98.553","0.002","103.684","0.002","95.163","0.002","2967","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H77 B2 Mg N6 O6 -","- C59 H77 B2 Mg N6 O6 -","- C118 H154 B4 Mg2 N12 O12 -","2","1","","James F. Dunne; D. Bruce Fulton; Arkady Ellern; Aaron D. Sadow","Concerted C-N and C-H Bond Formation in a Magnesium-Catalyzed Hydroamination","Journal of the American Chemical Society","2010","132","","17680","17683","10.1021/ja108881s","","","0.71073","MoKα","","0.1061","0.0814","","","0.2077","0.2254","","","","","","1.245","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103703","4.237","0.0013","15.17","0.005","6.0214","0.0019","90","","90","","90","","387","0.2","296","2","296","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Mn -","- Ba F4 Mn -","- Ba4 F16 Mn4 -","4","0.5","","Sun Woo Kim; Hong Young Chang; P. Shiv Halasyamani","Selective Pure-Phase Synthesis of the Multiferroic BaMF4 (M = Mg, Mn, Co, Ni, and Zn) Family","Journal of the American Chemical Society","2010","132","","17684","17685","10.1021/ja108965s","","","0.71073","MoKα","","0.0388","0.0379","","","0.0925","0.0931","","","","","","1.076","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103704","4.2173","0.0004","14.6573","0.0014","5.8656","0.0006","90","","90","","90","","362.58","0.06","296","2","296","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba Co F4 -","- Ba Co F4 -","- Ba4 Co4 F16 -","4","0.5","","Sun Woo Kim; Hong Young Chang; P. Shiv Halasyamani","Selective Pure-Phase Synthesis of the Multiferroic BaMF4 (M = Mg, Mn, Co, Ni, and Zn) Family","Journal of the American Chemical Society","2010","132","","17684","17685","10.1021/ja108965s","","","0.71073","MoKα","","0.0161","0.016","","","0.0412","0.0413","","","","","","1.158","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103705","4.1591","0.0009","14.492","0.003","5.8078","0.0012","90","","90","","90","","350.06","0.13","296","2","296","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Ni -","- Ba F4 Ni -","- Ba4 F16 Ni4 -","4","0.5","","Sun Woo Kim; Hong Young Chang; P. Shiv Halasyamani","Selective Pure-Phase Synthesis of the Multiferroic BaMF4 (M = Mg, Mn, Co, Ni, and Zn) Family","Journal of the American Chemical Society","2010","132","","17684","17685","10.1021/ja108965s","","","0.71073","MoKα","","0.0294","0.0262","","","0.0501","0.051","","","","","","1.126","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103706","6.9146","0.0001","24.6124","0.0004","16.4864","0.0002","90","","111.042","0.001","90","","2618.64","0.07","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Cl2 N2 O6 -","- C28 H22 Cl2 N2 O6 -","- C112 H88 Cl8 N8 O24 -","4","1","","Chao Feng; Teck-Peng Loh","Palladium-Catalyzed Bisolefination of C-C Triple Bonds: A Facile Method for the Synthesis of Naphthalene Derivatives","Journal of the American Chemical Society","2010","132","","17710","17712","10.1021/ja108998d","","","0.71073","MoKα","","0.1265","0.0931","","","0.2787","0.3216","","","","","","1.037","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103707","13.167","0.015","17.558","0.019","13.564","0.016","90","","90","","90","","3136","6","183","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H24 Ca N2 O16 Zn2 -","- C24 H24 Ca N2 O16 Zn2 -","- C96 H96 Ca4 N8 O64 Zn8 -","4","0.5","","Ruqiang Zou; Ruiqin Zhong; Songbai Han; Hongwu Xu; Anthony K. Burrell; Neil Henson; Jonathan L. Cape; Donald D. Hickmott; Tatiana V. Timofeeva; Toti E. Larson; Yusheng Zhao","A Porous Metal-Organic Replica of α-PbO2 for Capture of Nerve Agent Surrogate","Journal of the American Chemical Society","2010","132","","17996","17999","10.1021/ja101440z","","","0.71073","MoKα","","0.0658","0.0618","","","0.1569","0.1608","","","","","","1.029","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103708","14.7696","0.0003","14.7696","0.0003","14.7696","0.0003","90","","90","","90","","3221.86","0.11","128","2","128","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","[Na(THF)][tpatBuFe]","","","- C31 H47 Fe N4 Na O -","- C31.02 H39 Fe N4 Na O0.99 -","- C124.08 H156 Fe4 N16 Na4 O3.96 -","4","0.333333","","W. Hill Harman; T. David Harris; Danna E. Freedman; Henry Fong; Alicia Chang; Jeffrey D. Rinehart; Andrew Ozarowski; Moulay T. Sougrati; Fernande Grandjean; Gary J. Long; Jeffrey R. Long; Christopher J. Chang","Slow Magnetic Relaxation in a Family of trigonal Pyramidal Iron(II) Pyrrolide Complexes","Journal of the American Chemical Society","2010","132","","18115","18126","10.1021/ja105291x","","","0.71073","MoKα","","0.0311","0.0284","","","0.0762","0.0775","","","","","","1.103","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103709","11.36","0.0017","12.028","0.0018","17.881","0.003","76.897","0.002","73.871","0.002","69.85","0.002","2180","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","[Na(DME)3][tpaPhFe]","","","- C45 H57 Fe N4 Na O6 -","- C45 H57 Fe N4 Na O6 -","- C90 H114 Fe2 N8 Na2 O12 -","2","1","","W. Hill Harman; T. David Harris; Danna E. Freedman; Henry Fong; Alicia Chang; Jeffrey D. Rinehart; Andrew Ozarowski; Moulay T. Sougrati; Fernande Grandjean; Gary J. Long; Jeffrey R. Long; Christopher J. Chang","Slow Magnetic Relaxation in a Family of trigonal Pyramidal Iron(II) Pyrrolide Complexes","Journal of the American Chemical Society","2010","132","","18115","18126","10.1021/ja105291x","","","0.71073","MoKα","","0.0922","0.0472","","","0.1027","0.125","","","","","","1.015","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103710","13.467","0.002","18.827","0.004","20.082","0.004","90","","90","","90","","5091.7","1.7","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[K(DME{4)][tpaDFPFe]","","","- C49 H61 F6 Fe K N4 O8 -","- C49 H61 F6 Fe K N4 O8 -","- C196 H244 F24 Fe4 K4 N16 O32 -","4","1","","W. Hill Harman; T. David Harris; Danna E. Freedman; Henry Fong; Alicia Chang; Jeffrey D. Rinehart; Andrew Ozarowski; Moulay T. Sougrati; Fernande Grandjean; Gary J. Long; Jeffrey R. Long; Christopher J. Chang","Slow Magnetic Relaxation in a Family of trigonal Pyramidal Iron(II) Pyrrolide Complexes","Journal of the American Chemical Society","2010","132","","18115","18126","10.1021/ja105291x","","","0.71073","MoKα","","0.0864","0.048","","","0.0922","0.1042","","","","","","0.976","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103711","14.4882","0.0013","14.9346","0.0013","20.8197","0.0018","79.137","0.002","71.719","0.002","86.119","0.002","4200.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Fe(OEP-CH2-CH2-OEP)]2OH.I3, 3","","","- C84.6 H112.2 Fe2 I3 N8 O3.65 -","- C84.6 H112.2 Fe2 I3 N8 O3.65 -","- C169.2 H224.4 Fe4 I6 N16 O7.3 -","2","1","","Sudip Kumar Ghosh; Sankar Prasad Rath","A Remarkably Bent Diiron(III)-μ-Hydroxo Bisporphyrin: Unusual Stabilization of Two Spin States of Iron in a Single Molecular Framework","Journal of the American Chemical Society","2010","132","","17983","17985","10.1021/ja107374s","","","0.71073","MoKα","","0.071","0.0533","","","0.1388","0.1558","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103712","24.806","0.002","9.6651","0.0008","24.423","0.002","90","","106.87","0.02","90","","5603.5","1","110","2","110","2","","","","","","","","2","P 1 2/c 1","-P 2yc","13","","","","- C38 H34 -","- C38 H34 -","- C304 H272 -","8","2","","Enrico Faggi; Rosa M. Sebastián; Roser Pleixats; Adelina Vallribera; Alexandr Shafir; Alejandra Rodríguez-Gimeno; Carmen Ramírez de Arellano","Direct Assembly of Polyarenes via C-C Coupling Using PIFA/BF3.Et2O","Journal of the American Chemical Society","2010","132","","17980","17982","10.1021/ja107467c","","","0.71073","MoKα","","0.0905","0.0426","","","0.0824","0.09","","","","","","0.802","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103713","6.7624","0.0006","11.7215","0.001","13.6347","0.0011","90","","92.367","0.001","90","","1079.84","0.16","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Cl Zr -","- C11 H13 Cl Zr -","- C44 H52 Cl4 Zr4 -","4","1","","Aaron J. Rossini; Ivan Hung; Samuel A. Johnson; Carla Slebodnick; Mike Mensch; Paul A. Deck; Robert W. Schurko","Solid-State 91Zr NMR Spectroscopy Studies of Zirconocene Olefin Polymerization Catalyst Precursors","Journal of the American Chemical Society","2010","132","","18301","18317","10.1021/ja107749b","","","0.71073","MoKα","","0.0262","0.0227","","","0.0513","0.0536","","","","","","1.047","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103714","13.5792","0.0005","8.5955","0.0003","15.3894","0.0005","90","","96.587","0.003","90","","1784.39","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Br2 O Si2 Zr -","- C14 H20 Br2 O Si2 Zr -","- C56 H80 Br8 O4 Si8 Zr4 -","4","1","","Aaron J. Rossini; Ivan Hung; Samuel A. Johnson; Carla Slebodnick; Mike Mensch; Paul A. Deck; Robert W. Schurko","Solid-State 91Zr NMR Spectroscopy Studies of Zirconocene Olefin Polymerization Catalyst Precursors","Journal of the American Chemical Society","2010","132","","18301","18317","10.1021/ja107749b","","x-ray","0.71073","MoKα","","0.0459","0.0286","","","0.0537","0.0554","","","","","","0.867","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103715","14.9355","0.0013","14.682","0.003","24.174","0.002","90","","90","","90","","5300.9","1.3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H30 Br2 O2 Si4 Zr -","- C18 H30 Br2 O2 Si4 Zr -","- C144 H240 Br16 O16 Si32 Zr8 -","8","1","","Aaron J. Rossini; Ivan Hung; Samuel A. Johnson; Carla Slebodnick; Mike Mensch; Paul A. Deck; Robert W. Schurko","Solid-State 91Zr NMR Spectroscopy Studies of Zirconocene Olefin Polymerization Catalyst Precursors","Journal of the American Chemical Society","2010","132","","18301","18317","10.1021/ja107749b","","","0.71073","MoKα","","0.12","0.0508","","","0.0788","0.0966","","","","","","0.993","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103716","16.4797","0.0006","15.5746","0.0005","15.3467","0.0005","90","","90","","90","","3939","0.2","223","2","223","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C36 H72 Cr N4 -","- C36 H72 Cr N4 -","- C144 H288 Cr4 N16 -","4","0.5","","Rosanna A. D. Soriaga; Jennifer M. Nguyen; Thomas A. Albright; David M. Hoffman","Diamagnetic Group 6 Tetrakis(di-tert-butylketimido)metal(IV) Complexes","Journal of the American Chemical Society","2010","132","","18014","18016","10.1021/ja108265y","","","0.71073","MoKα","","0.0516","0.0415","","","0.114","0.1241","","","","","","1.007","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103717","16.5902","0.0008","15.6242","0.0008","15.5439","0.0008","90","","90","","90","","4029.1","0.4","223","2","223","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C36 H72 Mo N4 -","- C36 H72 Mo N4 -","- C144 H288 Mo4 N16 -","4","0.5","","Rosanna A. D. Soriaga; Jennifer M. Nguyen; Thomas A. Albright; David M. Hoffman","Diamagnetic Group 6 Tetrakis(di-tert-butylketimido)metal(IV) Complexes","Journal of the American Chemical Society","2010","132","","18014","18016","10.1021/ja108265y","","","0.71073","MoKα","","0.0547","0.0303","","","0.0797","0.0958","","","","","","0.987","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103718","15.4819","0.0007","16.6244","0.0008","15.6247","0.0007","90","","90","","90","","4021.4","0.3","223","2","223","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C36 H72 N4 W -","- C36 H72 N4 W -","- C144 H288 N16 W4 -","4","0.25","","Rosanna A. D. Soriaga; Jennifer M. Nguyen; Thomas A. Albright; David M. Hoffman","Diamagnetic Group 6 Tetrakis(di-tert-butylketimido)metal(IV) Complexes","Journal of the American Chemical Society","2010","132","","18014","18016","10.1021/ja108265y","","","0.71073","MoKα","","0.0205","0.0194","","","0.0507","0.0516","","","","","","1.068","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103719","4.05171","0.00003","4.05171","0.00003","18.3438","0.0002","90","","90","","90","","301.138","0.005","10","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Co2 La2 O3 Se2 -","- Co2 La2 O3 Se2 -","- Co4 La4 O6 Se4 -","2","0.0625","","Yayoi Fuwa; Takashi Endo; Makoto Wakeshima; Yukio Hinatsu; Kenji Ohoyama","Orthogonal Spin Arrangement in Quasi-Two-Dimensional La2Co2O3Se2","Journal of the American Chemical Society","2010","132","","18020","18022","10.1021/ja109007g","powder diffraction","neutron","1.8449","ConstantWavelengthNeutronDiffraction","","","","","","","","","2.353","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103720","4.06096","0.00005","4.06096","0.00005","18.3843","0.0003","90","","90","","90","","303.183","0.007","300","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Co2 La2 O3 Se2 -","- Co2 La2 O3 Se2 -","- Co4 La4 O6 Se4 -","2","0.0625","","Yayoi Fuwa; Takashi Endo; Makoto Wakeshima; Yukio Hinatsu; Kenji Ohoyama","Orthogonal Spin Arrangement in Quasi-Two-Dimensional La2Co2O3Se2","Journal of the American Chemical Society","2010","132","","18020","18022","10.1021/ja109007g","powder diffraction","neutron","1.8449","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.3311","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103721","19.9341","0.0006","10.8494","0.0003","13.9902","0.0004","90","","90","","90","","3025.7","0.15","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H44 Au Cl3 N O P -","- C31 H44 Au Cl3 N O P -","- C124 H176 Au4 Cl12 N4 O4 P4 -","4","1","","Kevin D. Hesp; Mark Stradiotto","Stereo- and Regioselective Gold-Catalyzed Hydroamination of Internal Alkynes with Dialkylamines","Journal of the American Chemical Society","2010","132","","18026","18029","10.1021/ja109192w","","","0.71073","MoKα","","0.0132","0.0128","","","0.0331","0.0332","","","","","","1.043","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103722","12.617","0.0009","12.7549","0.001","18.2237","0.0014","88.5121","0.0008","72.5456","0.0007","80.7996","0.0008","2760.9","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H51 Au B F20 N2 O2 P -","- C58 H51 Au B F20 N2 O2 P -","- C116 H102 Au2 B2 F40 N4 O4 P2 -","2","1","","Kevin D. Hesp; Mark Stradiotto","Stereo- and Regioselective Gold-Catalyzed Hydroamination of Internal Alkynes with Dialkylamines","Journal of the American Chemical Society","2010","132","","18026","18029","10.1021/ja109192w","","","0.71073","MoKα","","0.0159","0.0154","","","0.0409","0.0411","","","","","","1.073","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103723","11.263","0.0002","12.603","0.0002","12.741","0.0002","99.643","0.001","94.862","0.001","104.426","0.001","1711.56","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 N2 O P2 Ru -","- C38 H44 N2 O P2 Ru -","- C76 H88 N4 O2 P4 Ru2 -","2","1","","L. Jonas L. Häller; Michael J. Page; Stefan Erhardt; Stuart A. Macgregor; Mary F. Mahon; M. Abu Naser; Andrea Vélez; Michael K. Whittlesey","Experimental and Computational Investigation of C-N Bond Activation in Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2010","132","","18408","18416","10.1021/ja109702h","","","0.71073","MoKα","","0.0797","0.043","","","0.0837","0.0939","","","","","","0.984","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103724","10.14","0.0001","13.692","0.0002","19.251","0.0003","81.982","0.001","86.649","0.001","84.854","0.001","2633.09","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H60 N2 O P2 Ru -","- C64 H60 N2 O P2 Ru -","- C128 H120 N4 O2 P4 Ru2 -","2","1","","L. Jonas L. Häller; Michael J. Page; Stefan Erhardt; Stuart A. Macgregor; Mary F. Mahon; M. Abu Naser; Andrea Vélez; Michael K. Whittlesey","Experimental and Computational Investigation of C-N Bond Activation in Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2010","132","","18408","18416","10.1021/ja109702h","","","0.71073","MoKα","","0.0364","0.0291","","","0.0713","0.0761","","","","","","1.074","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103725","12.198","0.0003","12.925","0.0003","17.948","0.0003","83.658","0.001","81.718","0.001","70.564","0.001","2634.65","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H64 N2 O2 P2 Ru -","- C62 H64 N2 O2 P2 Ru -","- C124 H128 N4 O4 P4 Ru2 -","2","1","","L. Jonas L. Häller; Michael J. Page; Stefan Erhardt; Stuart A. Macgregor; Mary F. Mahon; M. Abu Naser; Andrea Vélez; Michael K. Whittlesey","Experimental and Computational Investigation of C-N Bond Activation in Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2010","132","","18408","18416","10.1021/ja109702h","","","0.71073","MoKα","","0.0446","0.0309","","","0.0662","0.0709","","","","","","1.033","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103726","14.6767","0.0004","24.0479","0.0004","14.9109","0.0003","90","","113.548","0.003","90","","4824.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H50 Cl N2 O P2 Ru -","- C58 H50 Cl N2 O P2 Ru -","- C232 H200 Cl4 N8 O4 P8 Ru4 -","4","1","","L. Jonas L. Häller; Michael J. Page; Stefan Erhardt; Stuart A. Macgregor; Mary F. Mahon; M. Abu Naser; Andrea Vélez; Michael K. Whittlesey","Experimental and Computational Investigation of C-N Bond Activation in Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2010","132","","18408","18416","10.1021/ja109702h","","","0.7107","MoKα","","0.0909","0.0493","","","0.1297","0.1362","","","","","","1.054","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103727","11.497","0.0001","13.084","0.0002","17.31","0.0002","75.317","0.001","75.635","0.001","87.905","0.001","2439.14","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H55 Cl N2 O P2 Ru -","- C56 H55 Cl N2 O P2 Ru -","- C112 H110 Cl2 N4 O2 P4 Ru2 -","2","1","","L. Jonas L. Häller; Michael J. Page; Stefan Erhardt; Stuart A. Macgregor; Mary F. Mahon; M. Abu Naser; Andrea Vélez; Michael K. Whittlesey","Experimental and Computational Investigation of C-N Bond Activation in Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2010","132","","18408","18416","10.1021/ja109702h","","","0.71073","MoKα","","0.0467","0.0324","","","0.0735","0.08","","","","","","1.034","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103728","18.057","0.003","18.057","0.003","23.058","0.005","90","","90","","90","","7518","2","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C32 H100 Co4 N16 O44 -","- C32 H100 Co4 N16 O44 -","- C128 H400 Co16 N64 O176 -","4","0.125","","Shuang Wang; Tingting Zhao; Guanghua Li; Lukasz Wojtas; Qisheng Huo; Mohamed Eddaoudi; Yunling Liu","From Metal-Organic Squares to Porous Zeolite-like Supramolecular Assemblies","Journal of the American Chemical Society","2010","132","","18038","18041","10.1021/ja109980c","","","0.71073","MoKα","","0.057","0.045","","","0.1247","0.1312","","","","","","1.154","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103729","29.319","0.003","29.319","0.003","29.319","0.003","90","","90","","90","","25203","4","293","2","293","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C46 H56 In4 K3 N26 O27.5 -","- C46 H56 In4 K3 N25.9867 O27.49 -","- C552 H672 In48 K36 N311.84 O329.88 -","12","0.25","","Shuang Wang; Tingting Zhao; Guanghua Li; Lukasz Wojtas; Qisheng Huo; Mohamed Eddaoudi; Yunling Liu","From Metal-Organic Squares to Porous Zeolite-like Supramolecular Assemblies","Journal of the American Chemical Society","2010","132","","18038","18041","10.1021/ja109980c","","","0.71073","MoKα","","0.0737","0.0497","","","0.1343","0.1464","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103730","20.4638","0.0008","21.4603","0.0008","14.8607","0.0006","90","","104.885","0.002","90","","6307.2","0.4","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","C 1 2/m 1","-C 2y","12","","","","- C68 H110 N20 O12 S12 -","- C70 H110 N20 O12 S12 -","- C140 H220 N40 O24 S24 -","2","0.25","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from Derivatives of Hexaphenylbenzene and Related Compounds","J. Am. Chem. Soc.","2007","129","","4306","4322","10.1021/ja067571x","","","1.54178","CuKα","","0.0845","0.073","","","0.1611","0.1627","","","","","","1.181","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103731","38.674","0.0009","38.674","0.0009","10.01","0.003","90","","90","","120","","12966","4","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","R -3 :H","-R 3","148","","","","- C156 H192 N30 O12 S12 -","- C108 H120 N30 O6 S6 -","- C324 H360 N90 O18 S18 -","3","0.166667","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from Derivatives of Hexaphenylbenzene and Related Compounds","J. Am. Chem. Soc.","2007","129","","4306","4322","10.1021/ja067571x","","","1.54178","CuKα","","0.0631","0.0587","","","0.1369","0.1374","","","","","","1.028","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103732","40.396","0.0013","20.6327","0.0007","12.0265","0.0004","90","","99.926","0.002","90","","9873.8","0.6","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H108 N26 O8 S8 -","- C82 H108 N26 O8 S8 -","- C328 H432 N104 O32 S32 -","4","0.5","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from Derivatives of Hexaphenylbenzene and Related Compounds","J. Am. Chem. Soc.","2007","129","","4306","4322","10.1021/ja067571x","","","1.54178","CuKα","","0.0643","0.0622","","","0.1476","0.1482","","","","","","1.003","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103733","22.807","0.0009","22.807","0.0009","17.2915","0.0016","90","","90","","120","","7789.3","0.8","200","2","200","2","","","","","","","Synthesized by the authors. See text","3","R -3 :H","-R 3","148","","","","- C60 H48 N30 -","- C60 H48 N30 -","- C180 H144 N90 -","3","0.166667","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from Derivatives of Hexaphenylbenzene and Related Compounds","J. Am. Chem. Soc.","2007","129","","4306","4322","10.1021/ja067571x","","","1.54178","CuKα","","0.0645","0.0614","","","0.1513","0.152","","","","","","1.048","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103734","8.975","0.0003","22.7525","0.0006","21.9316","0.0008","90","","101.498","0.001","90","","4388.6","0.2","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H106 N20 O12 S12 -","- C66 H106 N20 O12 S12 -","- C132 H212 N40 O24 S24 -","2","0.5","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from Derivatives of Hexaphenylbenzene and Related Compounds","J. Am. Chem. Soc.","2007","129","","4306","4322","10.1021/ja067571x","","","1.54178","CuKα","","0.0721","0.0651","","","0.1491","0.1503","","","","","","1.085","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103735","31.282","0.015","24.617","0.003","11.704","0.009","90","","108.302","0.004","90","","8557","8","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H89 N25 O8 S8 -","- C67 H89 N25 O8 S8 -","- C268 H356 N100 O32 S32 -","4","0.5","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from Derivatives of Hexaphenylbenzene and Related Compounds","J. Am. Chem. Soc.","2007","129","","4306","4322","10.1021/ja067571x","","","1.54178","CuKα","","0.1237","0.089","","","0.1426","0.1474","","","","","","1","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103736","34.706","0.002","14.9704","0.0009","12.0264","0.0007","90","","91.318","0.002","90","","6246.8","0.6","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H66 N20 O6 S4 -","- C52 H66 N20 O6 S4 -","- C208 H264 N80 O24 S16 -","4","1","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from Derivatives of Hexaphenylbenzene and Related Compounds","J. Am. Chem. Soc.","2007","129","","4306","4322","10.1021/ja067571x","","","1.54178","CuKα","","0.1143","0.0794","","","0.1704","0.1913","","","","","","1.115","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103737","17.77","0.002","21.235","0.003","21.691","0.002","98.4","0.006","110.518","0.005","103.475","0.006","7217.9","1.5","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C106 H164 N30 O19 S9 -","- C106 H158 N30 O19 S9 -","- C212 H316 N60 O38 S18 -","2","1","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from Derivatives of Hexaphenylbenzene and Related Compounds","J. Am. Chem. Soc.","2007","129","","4306","4322","10.1021/ja067571x","","","1.54178","CuKα","","0.1377","0.116","","","0.2902","0.2974","","","","","","1.096","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103738","8.4178","0.0011","16.424","0.002","20.251","0.003","105.291","0.005","97.289","0.006","93.544","0.006","2665.5","0.6","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C42 H62 N15 O7 S6 -","- C42 H60 N15 O7 S6 -","- C84 H120 N30 O14 S12 -","2","1","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from Derivatives of Hexaphenylbenzene and Related Compounds","J. Am. Chem. Soc.","2007","129","","4306","4322","10.1021/ja067571x","","","1.54178","CuKα","","0.0973","0.0792","","","0.1865","0.1897","","","","","","1.045","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103739","15.6466","0.0002","15.6466","0.0002","7.6593","0.0001","90","","90","","90","","1875.12","0.04","223","2","223","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C32 H40 N4 O12 Si -","- C32 H40 N4 O12 Si0.25 -","- C64 H80 N8 O24 Si0.5 -","2","0.25","","Okba Saied; Thierry Maris; James D. Wuest","Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals","Journal of the American Chemical Society","2003","125","","14956","14957","10.1021/ja037465k","","","1.54178","CuKα","","0.129","0.0939","","","0.2593","0.2864","","","","","","1.127","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103740","15.4599","0.0008","15.4599","0.0008","8.7993","0.0005","90","","90","","90","","2103.11","0.19","223","2","223","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C36 H48 N4 O12 Si -","- C36 H48 N4 O12 Si0.25 -","- C72 H96 N8 O24 Si0.5 -","2","0.25","","Okba Saied; Thierry Maris; James D. Wuest","Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals","Journal of the American Chemical Society","2003","125","","14956","14957","10.1021/ja037465k","","","1.54178","CuKα","","0.1147","0.0708","","","0.1777","0.1956","","","","","","1.074","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103741","15.413","0.002","15.413","0.002","9.5845","0.0019","90","","90","","90","","2276.9","0.6","223","2","223","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C40 H56 N4 O12 Si -","- C40 H56 N4 O12 Si -","- C80 H112 N8 O24 Si2 -","2","0.25","","Okba Saied; Thierry Maris; James D. Wuest","Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals","Journal of the American Chemical Society","2003","125","","14956","14957","10.1021/ja037465k","","","1.54178","CuKα","","0.233","0.0954","","","0.2116","0.2514","","","","","","1.087","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103742","15.465","0.009","15.465","0.009","9.578","0.006","90","","90","","90","","2291","2","223","2","223","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C36 H48 N4 O12 Si -","- C36 H44 N4 O12 Si0.25 -","- C72 H88 N8 O24 Si0.5 -","2","0.25","","Okba Saied; Thierry Maris; James D. Wuest","Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals","Journal of the American Chemical Society","2003","125","","14956","14957","10.1021/ja037465k","","","1.54178","CuKα","","0.2416","0.2023","","","0.5229","0.5535","","","","","","2.024","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103743","10.627","0.011","10.627","0.011","41.608","0.006","90","","90","","90","","4699","7","226","","226","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C25 H24 B4 O8 -","- C25 H24 B4 O8 -","- C100 H96 B16 O32 -","4","0.25","","Jean-Hugues Fournier; Thierry Maris; James D. Wuest; Wenzhuo Guo; Elena Galoppini","Molecular Tectonics. Use of the Hydrogen Bonding of Boronic Acids To Direct Supramolecular Construction","Journal of the American Chemical Society","2003","125","","1002","1006","10.1021/ja0276772","","","1.54178","CuKα","","0.3307","0.0978","","","0.141","0.1594","","","","","","0.981","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103744","10.837","0.0015","10.837","0.0015","45.603","0.009","90","","90","","90","","5355.6","1.5","210","","210","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H24 B4 O8 Si -","- C24 H24 B4 O8 Si -","- C96 H96 B16 O32 Si4 -","4","0.25","","Jean-Hugues Fournier; Thierry Maris; James D. Wuest; Wenzhuo Guo; Elena Galoppini","Molecular Tectonics. Use of the Hydrogen Bonding of Boronic Acids To Direct Supramolecular Construction","Journal of the American Chemical Society","2003","125","","1002","1006","10.1021/ja0276772","","","1.54178","CuKα","","0.1508","0.0758","","","0.125","0.1367","","","","","","0.84","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103745","17.084","0.0009","9.2508","0.0004","10.2983","0.0005","90","","90","","90","","1627.55","0.14","243","2","243","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C17 H30 O3 -","- C17 H30 O3 -","- C68 H120 O12 -","4","1","","Kevin M. McQuaid; Dalibor Sames","C-H Bond Functionalization via Hydride Transfer: Lewis Acid Catalyzed Alkylation Reactions by Direct Intramolecular Coupling of sp3 C-H Bonds and Reactive Alkenyl Oxocarbenium Intermediates","Journal of the American Chemical Society","2009","131","","402","403","10.1021/ja806068h","","","0.71073","MoKα","","0.0556","0.0407","","","0.1158","0.1279","","","","","","1.061","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103746","9.6931","0.0005","9.8584","0.0005","11.9252","0.0006","90","","90","","90","","1139.55","0.1","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 O2 -","- C14 H13 O2 -","- C56 H52 O8 -","4","1","","Kevin M. McQuaid; Dalibor Sames","C-H Bond Functionalization via Hydride Transfer: Lewis Acid Catalyzed Alkylation Reactions by Direct Intramolecular Coupling of sp3 C-H Bonds and Reactive Alkenyl Oxocarbenium Intermediates","Journal of the American Chemical Society","2009","131","","402","403","10.1021/ja806068h","","","0.71073","MoKα","","0.0702","0.0582","","","0.1839","0.2002","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103747","8.595","0.002","9.799","0.003","10.014","0.003","71.928","0.005","85.027","0.005","68.533","0.005","745.8","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C32 H28 N4 O10 -","2","1","","Laura C. Wieland; Erika M. Vieira; Marc L. Snapper; Amir H. Hoveyda","Ag-Catalyzed Diastereo- and Enantioselective Vinylogous Mannich Reactions of α-Ketoimine Esters. Development of a Method and Investigation of its Mechanism","Journal of the American Chemical Society","2009","131","","570","576","10.1021/ja8062315","","","0.71073","MoKα","","0.0898","0.051","","","0.1048","0.122","","","","","","1.016","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103748","17.451","0.004","17.675","0.005","21.505","0.006","90","","90","","90","","6633","3","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H79 Ag N4 O7 P2 -","- C70 H79 Ag N4 O7 P2 -","- C280 H316 Ag4 N16 O28 P8 -","4","1","","Laura C. Wieland; Erika M. Vieira; Marc L. Snapper; Amir H. Hoveyda","Ag-Catalyzed Diastereo- and Enantioselective Vinylogous Mannich Reactions of α-Ketoimine Esters. Development of a Method and Investigation of its Mechanism","Journal of the American Chemical Society","2009","131","","570","576","10.1021/ja8062315","","","0.71073","MoKα","","0.0352","0.0316","","","0.0861","0.0895","","","","","","1.029","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103749","8.8375","0.0016","11.63","0.002","18.584","0.003","90","","90","","90","","1910.1","0.6","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Cl N2 O5 -","- C20 H19 Cl N2 O5 -","- C80 H76 Cl4 N8 O20 -","4","1","","Laura C. Wieland; Erika M. Vieira; Marc L. Snapper; Amir H. Hoveyda","Ag-Catalyzed Diastereo- and Enantioselective Vinylogous Mannich Reactions of α-Ketoimine Esters. Development of a Method and Investigation of its Mechanism","Journal of the American Chemical Society","2009","131","","570","576","10.1021/ja8062315","","","0.71073","MoKα","","0.1139","0.0615","","","0.1043","0.1226","","","","","","0.995","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103750","6.4323","0.0002","9.5882","0.0002","23.5349","0.0006","90","","90","","90","","1451.5","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O5 -","- C15 H17 N O5 -","- C60 H68 N4 O20 -","4","1","","Laura C. Wieland; Erika M. Vieira; Marc L. Snapper; Amir H. Hoveyda","Ag-Catalyzed Diastereo- and Enantioselective Vinylogous Mannich Reactions of α-Ketoimine Esters. Development of a Method and Investigation of its Mechanism","Journal of the American Chemical Society","2009","131","","570","576","10.1021/ja8062315","","","1.54178","CuKα","","0.0242","0.0241","","","0.0628","0.0629","","","","","","1.049","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103751","6.4306","0.0013","10.05","0.002","11.98","0.002","84.052","0.004","84.765","0.003","88.383","0.004","766.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N6 O2 -","- C16 H18 N6 O2 -","- C32 H36 N12 O4 -","2","1","","Roslyn S. Butler; Pamela Cohn; Phillip Tenzel; Khalil A. Abboud; Ronald K. Castellano","Synthesis, Photophysical Behavior, and Electronic Structure of Push-Pull Purines","Journal of the American Chemical Society","2009","131","","623","633","10.1021/ja806348z","","","0.71073","MoKα","","0.055","0.0392","","","0.0982","0.1046","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103752","10.6415","0.0008","13.5541","0.001","13.043","0.0009","90","","107.01","0.01","90","","1799","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N7 O3 -","- C18 H21 N7 O3 -","- C72 H84 N28 O12 -","4","1","","Roslyn S. Butler; Pamela Cohn; Phillip Tenzel; Khalil A. Abboud; Ronald K. Castellano","Synthesis, Photophysical Behavior, and Electronic Structure of Push-Pull Purines","Journal of the American Chemical Society","2009","131","","623","633","10.1021/ja806348z","","","0.71073","MoKα","","0.0545","0.0442","","","0.1101","0.1162","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103753","7.7544","0.0011","11.0912","0.0015","22.122","0.003","90","","90","","90","","1902.6","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 Fe N2 -","- C16 H36 Fe N2 -","- C64 H144 Fe4 N8 -","4","1","","William M. Reiff; Charles E. Schulz; Myung-Hwan Whangbo; Jung In Seo; Yoon Sup Lee; Gregory R. Potratz; Charles W. Spicer; Gregory S. Girolami","Consequences of a Linear Two-Coordinate Geometry for the Orbital Magnetism and Jahn-Teller Distortion Behavior of the High Spin Iron(II) Complex Fe[N(t-Bu)2]2","Journal of the American Chemical Society","2009","131","","404","405","10.1021/ja806660f","","","0.71073","MoKα","","0.0654","0.0338","","","0.0661","0.0744","","","","","","0.941","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103754","4.4968","0.0007","10.4078","0.0016","11.821","0.0018","70.645","0.002","85.722","0.003","84.971","0.003","519.36","0.14","273","2","273","2","","","","","","","","4","P -1","-P 1","2","NH4Hog.2H2O","","","- C6 H13 N3 O7 -","- C6 H13 N3 O7 -","- C12 H26 N6 O14 -","2","1","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.0822","0.0626","","","0.1757","0.1985","","","","","","1.07","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103755","13.9089","0.0016","7.685","0.0009","14.2279","0.0016","90","","97.758","0.002","90","","1506.9","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(methylNH3)2og.2H2O","","","- C8 H22 N4 O8 -","- C8 H22 N4 O8 -","- C32 H88 N16 O32 -","4","1","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.0723","0.0594","","","0.1553","0.1692","","","","","","1.028","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103756","8.969","0.002","7.779","0.002","11.803","0.003","90","","95.522","0.004","90","","819.7","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(ethylNH3)2og.2H2O","","","- C10 H26 N4 O8 -","- C10 H26 N4 O8 -","- C20 H52 N8 O16 -","2","0.5","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.124","0.0899","","","0.2419","0.1905","","","","","","0.973","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103757","9.962","0.002","9.965","0.002","10.064","0.002","70.093","0.004","69.558","0.004","66.216","0.003","833.1","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H26 N4 O6 -","- C12 H26 N4 O6 -","- C24 H52 N8 O12 -","2","1","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.1251","0.0734","","","0.2021","0.2305","","","","","","0.959","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103758","9.365","0.0011","12.6982","0.0014","12.7582","0.0014","75.762","0.002","75.679","0.002","82.023","0.002","1420","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","(butylNH3)2og","","","- C14 H30 N4 O6 -","- C14 H30 N4 O6 -","- C42 H90 N12 O18 -","3","1.5","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.1538","0.0785","","","0.2144","0.2612","","","","","","0.885","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103759","5.0096","0.001","11.818","0.002","14.202","0.003","74.787","0.004","81.591","0.004","77.922","0.004","789.7","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","(pentylNH3)2og.H2og","","","- C11 H21 N3 O6 -","- C11 H21 N3 O6 -","- C22 H42 N6 O12 -","2","1","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.1204","0.0687","","","0.1712","0.1976","","","","","","0.934","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103760","4.994","0.003","16.209","0.011","20.341","0.014","90","","90.221","0.013","90","","1646.5","1.9","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(hexylNH3)2Hog","","","- C12 H23 N3 O6 -","- C12 H23 N3 O6 -","- C48 H92 N12 O24 -","4","1","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.3593","0.0642","","","0.1367","0.2207","","","","","","0.957","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103761","4.9193","0.0009","10.2941","0.0019","10.765","0.002","88.508","0.005","76.911","0.004","85.008","0.004","528.95","0.17","273","2","273","2","","","","","","","","4","P -1","-P 1","2","(benzylNH3)2og","","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","1","0.5","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.0956","0.0847","","","0.2172","0.2383","","","","","","1.149","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103762","5.0552","0.0015","9.651","0.003","11.101","0.003","81.894","0.006","81.684","0.006","83.687","0.005","528.3","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","(cyclohexylNH3)2og","","","- C18 H34 N4 O6 -","- C18 H34 N4 O6 -","- C18 H34 N4 O6 -","1","0.5","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.0745","0.0631","","","0.1841","0.199","","","","","","1.097","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103763","4.943","0.002","23.463","0.009","10.699","0.004","90","","101.774","0.007","90","","1214.7","0.8","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(ethynylbenzylNH3)2og","","","- C24 H26 N4 O6 -","- C24 H26 N4 O6 -","- C48 H52 N8 O12 -","2","0.5","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.2736","0.0792","","","0.1758","0.2584","","","","","","0.72","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103764","4.931","0.003","10.017","0.007","13.738","0.009","85.899","0.014","84.56","0.02","85.141","0.016","671.7","0.8","273","2","273","2","","","","","","","","4","P -1","-P 1","2","(diacetylenylbenzylNH3)2og monomer","","","- C28 H26 N4 O6 -","- C28 H26 N4 O6 -","- C28 H26 N4 O6 -","1","0.5","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.1917","0.0781","","","0.1111","0.1551","","","","","","0.823","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103765","15.822","0.015","9.289","0.008","9.526","0.009","90","","100.914","0.012","90","","1375","2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(diethynylbenzylNH3)2og hydrate","","","- C28 H30 N4 O8 -","- C28 H30 N4 O8 -","- C56 H60 N8 O16 -","2","0.5","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.4409","0.0791","","","0.0806","0.1848","","","","","","0.867","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103766","13.594","0.005","8.266","0.003","13.865","0.005","90","","100.435","0.006","90","","1532.2","1","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(diethynylbenzylNH3)2og methanol","","","- C30 H34 N4 O8 -","- C30 H34 N4 O8 -","- C60 H68 N8 O16 -","2","0.5","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.1736","0.0974","","","0.1081","0.1831","","","","","","0.833","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103767","4.8862","0.0019","10.072","0.004","13.67","0.005","79.154","0.006","88.615","0.009","85.662","0.008","658.8","0.4","273","2","273","2","","","","","","","","4","P -1","-P 1","2","(diethynylbenzylNH3)2og polymer","","","- C28 H26 N4 O6 -","- C28 H26 N4 O6 -","- C28 H26 N4 O6 -","1","0.5","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.4372","0.0624","","","0.0944","0.1577","","","","","","0.849","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103768","7.6165","0.0003","16.5619","0.0007","16.8917","0.0007","90","","92.805","0.001","90","","2128.23","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C96 H96 N16 O16 -","8","2","","Jian Dong; Kyril M. Solntsev; Laren M. Tolbert","Activation and Tuning of Green Fluorescent Protein Chromophore Emission by Alkyl Substituent-Mediated Crystal Packing","Journal of the American Chemical Society","2009","131","","662","670","10.1021/ja806962e","","","1.54178","CuKα","","0.0349","0.0338","","","0.0899","0.0908","","","","","","1.043","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103769","11.4832","0.0004","7.7162","0.0003","13.3246","0.0005","90","","102.553","0.002","90","","1152.43","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","","Jian Dong; Kyril M. Solntsev; Laren M. Tolbert","Activation and Tuning of Green Fluorescent Protein Chromophore Emission by Alkyl Substituent-Mediated Crystal Packing","Journal of the American Chemical Society","2009","131","","662","670","10.1021/ja806962e","","","1.54178","CuKα","","0.0384","0.0361","","","0.0997","0.1015","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103770","7.4623","0.0005","10.0972","0.0006","11.7537","0.0008","88.216","0.003","79.002","0.002","71.188","0.002","822.48","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C36 H48 N4 O4 -","2","1","","Jian Dong; Kyril M. Solntsev; Laren M. Tolbert","Activation and Tuning of Green Fluorescent Protein Chromophore Emission by Alkyl Substituent-Mediated Crystal Packing","Journal of the American Chemical Society","2009","131","","662","670","10.1021/ja806962e","","","1.54178","CuKα","","0.0396","0.0353","","","0.1029","0.1077","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103771","7.4678","0.0003","10.2078","0.0007","15.4909","0.0007","85.971","0.003","85.619","0.004","71.602","0.004","1115.91","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H36 N2 O2 -","- C24 H36 N2 O2 -","- C48 H72 N4 O4 -","2","1","","Jian Dong; Kyril M. Solntsev; Laren M. Tolbert","Activation and Tuning of Green Fluorescent Protein Chromophore Emission by Alkyl Substituent-Mediated Crystal Packing","Journal of the American Chemical Society","2009","131","","662","670","10.1021/ja806962e","","","1.54178","CuKα","","0.0557","0.0449","","","0.1261","0.1349","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103772","7.9946","0.0007","12.0879","0.0011","13.1153","0.0012","70.346","0.002","82.95","0.002","84.082","0.002","1181.98","0.18","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H17 Al Cl2 N6 O3 -","- C25 H17 Al Cl2 N6 O3 -","- C50 H34 Al2 Cl4 N12 O6 -","2","1","","Szu-Hung Liao; Jin-Ruei Shiu; Shun-Wei Liu; Shi-Jay Yeh; Yu-Hung Chen; Chin-Ti Chen; Tahsin J. Chow; Chih-I Wu","Hydroxynaphthyridine-Derived Group III Metal Chelates: Wide Band Gap and Deep Blue Analogues of Green Alq3(Tris(8-hydroxyquinolate)aluminum) and Their Versatile Applications for Organic Light-Emitting Diodes","Journal of the American Chemical Society","2009","131","","763","777","10.1021/ja807284e","","","0.71073","MoKα","","0.0857","0.0588","","","0.1663","0.1748","","","","","","0.977","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103773","6.2898","0.0013","16.096","0.003","14.357","0.003","90","","90.204","0.003","90","","1453.5","0.5","141","2","141","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O6 V -","- C13 H15 N O7 V -","- C52 H60 N4 O28 V4 -","4","1","","Susan K. Hanson; R. Tom Baker; John C. Gordon; Brian L. Scott; Andrew D. Sutton; David L. Thorn","Aerobic Oxidation of Pinacol by Vanadium(V) Dipicolinate Complexes: Evidence for Reduction to Vanadium(III)","Journal of the American Chemical Society","2009","131","","428","429","10.1021/ja807522n","","","0.71073","MoKα","","0.0568","0.0427","","","0.0971","0.0998","","","","","","1.528","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103774","9.6731","0.0009","9.8036","0.0009","16.6299","0.0016","90","","90","","90","","1577","0.3","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N3 O5 V -","- C17 H13 N3 O5 V -","- C68 H52 N12 O20 V4 -","4","1","","Susan K. Hanson; R. Tom Baker; John C. Gordon; Brian L. Scott; Andrew D. Sutton; David L. Thorn","Aerobic Oxidation of Pinacol by Vanadium(V) Dipicolinate Complexes: Evidence for Reduction to Vanadium(III)","Journal of the American Chemical Society","2009","131","","428","429","10.1021/ja807522n","","","0.71073","MoKα","","0.042","0.0321","","","0.0641","0.0672","","","","","","1.09","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103775","28.459","0.005","8.6208","0.0015","19.834","0.003","90","","121.545","0.002","90","","4147","1.2","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 N8 O9 V2 -","- C44 H36 N8 O9 V2 -","- C176 H144 N32 O36 V8 -","4","0.5","","Susan K. Hanson; R. Tom Baker; John C. Gordon; Brian L. Scott; Andrew D. Sutton; David L. Thorn","Aerobic Oxidation of Pinacol by Vanadium(V) Dipicolinate Complexes: Evidence for Reduction to Vanadium(III)","Journal of the American Chemical Society","2009","131","","428","429","10.1021/ja807522n","","","0.71073","MoKα","","0.1025","0.0515","","","0.1152","0.1319","","","","","","0.767","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103776","39.761","0.002","39.761","0.002","14.6366","0.001","90","","90","","90","","23140","2","173","2","173","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C36 H92 K12 N24 O82 V18 -","- C36 H36 K12 N24 O77.7375 V18 -","- C288 H288 K96 N192 O621.9 V144 -","8","0.5","","Xikui Fang; Paul Kögerler; Lyle Isaacs; Sayaka Uchida; Noritaka Mizuno","Cucurbit[n]uril-Polyoxoanion Hybrids","Journal of the American Chemical Society","2009","131","","432","433","10.1021/ja807751b","","","0.71073","MoKα","","0.1346","0.0898","","","0.2204","0.237","","","","","","1.127","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103777","14.5575","0.0011","31.58","0.002","38.173","0.003","90","","90.127","0.001","90","","17549","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H144 N36 Na12 O93 V18 -","- C72 H76 N36 Na7.75 O107 V18 -","- C288 H304 N144 Na31 O428 V72 -","4","0.5","","Xikui Fang; Paul Kögerler; Lyle Isaacs; Sayaka Uchida; Noritaka Mizuno","Cucurbit[n]uril-Polyoxoanion Hybrids","Journal of the American Chemical Society","2009","131","","432","433","10.1021/ja807751b","","","0.71073","MoKα","","0.0959","0.0844","","","0.2375","0.2459","","","","","","1.121","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103778","17.972","0.002","10.7424","0.0014","18.427","0.003","90","","93.794","0.003","90","","3549.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H54 N4 O V -","- C37 H54 N4 O V -","- C148 H216 N16 O4 V4 -","4","1","","Jared S. Silvia; Christopher C. Cummins","Two-Electron Reduction of a Vanadium(V) Nitride by CO To Release Cyanate and Open a Coordination Site","Journal of the American Chemical Society","2009","131","","446","447","10.1021/ja807767w","","","0.71073","MoKα","","0.0527","0.0378","","","0.0913","0.0996","","","","","","1.056","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103779","7.273","0.0006","8.7412","0.0008","20.8648","0.0018","90","","90","","90","","1326.5","0.2","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 F2 N O2 -","- C15 H17 F2 N O2 -","- C60 H68 F8 N4 O8 -","4","1","","Robert Webster; Christian Böing; Mark Lautens","Reagent-Controlled Regiodivergent Resolution of Unsymmetrical Oxabicyclic Alkenes Using a Cationic Rhodium Catalyst","Journal of the American Chemical Society","2009","131","","444","445","10.1021/ja807942m","","","1.54178","CuKα","","0.0547","0.0539","","","0.128","0.1301","","","","","","1.084","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103780","7.5519","0.0006","7.8449","0.0006","11.5761","0.0008","90","","91.663","0.002","90","","685.52","0.09","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C15 H17 F2 N O2 -","- C15 H17 F2 N O2 -","- C30 H34 F4 N2 O4 -","2","1","","Robert Webster; Christian Böing; Mark Lautens","Reagent-Controlled Regiodivergent Resolution of Unsymmetrical Oxabicyclic Alkenes Using a Cationic Rhodium Catalyst","Journal of the American Chemical Society","2009","131","","444","445","10.1021/ja807942m","","","1.54178","CuKα","","0.0521","0.052","","","0.1096","0.1098","","","","","","1.16","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103781","10.2115","0.0007","11.9691","0.0007","15.3437","0.0009","96.244","0.005","95.976","0.005","91.175","0.005","1853.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H45 O8 P Pd S2 -","- C37 H39 O8 P Pd S2 -","- C74 H78 O16 P2 Pd2 S4 -","2","1","","Damien Guironnet; Philipp Roesle; Thomas Rünzi; Inigo Göttker-Schnetmann; Stefan Mecking","Insertion Polymerization of Acrylate","Journal of the American Chemical Society","2009","131","","422","423","10.1021/ja808017n","","","0.71073","MoKα","","0.066","0.0456","","","0.0851","0.0902","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103782","10.9981","0.0008","12.0103","0.0009","12.0742","0.001","83.154","0.006","67.82","0.006","88.107","0.006","1466.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H35 Ni O8 P S2 -","- C27 H35 Ni O8 P S2 -","- C54 H70 Ni2 O16 P2 S4 -","2","1","","Damien Guironnet; Philipp Roesle; Thomas Rünzi; Inigo Göttker-Schnetmann; Stefan Mecking","Insertion Polymerization of Acrylate","Journal of the American Chemical Society","2009","131","","422","423","10.1021/ja808017n","","","0.71073","MoKα","","0.088","0.0548","","","0.1264","0.1427","","","","","","1.037","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103783","21.961","0.003","8.5678","0.0009","21.91","0.003","90","","113.555","0.003","90","","3779","0.8","143","1","143","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H34 B3 N O6 -","- C12 H34 B3 N O6 -","- C96 H272 B24 N8 O48 -","8","2","","Chang Won Yoon; Patrick J. Carroll; Larry G. Sneddon","Ammonia Triborane: A New Synthesis, Structural Determinations, and Hydrolytic Hydrogen-Release Properties","Journal of the American Chemical Society","2009","131","","855","864","10.1021/ja808045p","","","0.71073","MoKα","","0.056","0.0498","","","0.1208","0.127","","","","","","1.086","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103784","10.358","0.003","4.8041","0.0012","9.967","0.003","90","","115.141","0.006","90","","449","0.2","143","1","143","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- B3 H10 N -","- B3 H10 N -","- B12 H40 N4 -","4","1","","Chang Won Yoon; Patrick J. Carroll; Larry G. Sneddon","Ammonia Triborane: A New Synthesis, Structural Determinations, and Hydrolytic Hydrogen-Release Properties","Journal of the American Chemical Society","2009","131","","855","864","10.1021/ja808045p","","","0.71073","MoKα","","0.0438","0.0411","","","0.1078","0.1098","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103785","12.0504","0.0005","12.6148","0.0004","12.2383","0.0005","90","","110.912","0.005","90","","1737.84","0.13","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H20 F8 Fe N5 O -","- C44 H20 F8 Fe N5 O -","- C88 H40 F16 Fe2 N10 O2 -","2","0.5","","Jun Wang; Mark P. Schopfer; Amy A. N. Sarjeant; Kenneth D. Karlin","Heme-Copper Assembly Mediated Reductive Coupling of Nitrogen Monoxide (.NO)","Journal of the American Chemical Society","2009","131","","450","451","10.1021/ja8084324","","","0.71073","MoKα","","0.0811","0.0542","","","0.1389","0.1548","","","","","","1.058","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103786","23.275","0.004","25.486","0.004","49.521","0.007","90","","117.409","0.006","90","","26078","7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C106 H83 N8 O29 Zn4 -","- C106 H82 N8 O29 Zn4 -","- C424 H328 N32 O116 Zn16 -","4","1","","Andrew P. Nelson; Omar K. Farha; Karen L. Mulfort; Joseph T. Hupp","Supercritical Processing as a Route to High Internal Surface Areas and Permanent Microporosity in Metal-Organic Framework Materials","Journal of the American Chemical Society","2009","131","","458","460","10.1021/ja808853q","","","0.71073","MoKα","","0.2194","0.0692","","","0.1513","0.167","","","","","","0.563","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103787","16.6402","0.0003","16.6402","0.0003","7.7024","0.0001","90","","90","","120","","1847.03","0.05","277.2","","","","","","","","","","","2","R 3 c :H","R 3 -2""c","161","","","","- C21 H12 -","- C21 H12 -","- C126 H72 -","6","0.333333","","Toru Amaya; Shu Seki; Toshiyuki Moriuchi; Kana Nakamoto; Takuto Nakata; Hiroyuki Sakane; Akinori Saeki; Seiichi Tagawa; Toshikazu Hirao","Anisotropic Electron Transport Properties in Sumanene Crystal","Journal of the American Chemical Society","2009","131","","408","409","10.1021/ja805997v","","","1.5419","CuKα","","","0.0334","","","","0.0862","","","","","","0.788","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103788","10.0252","0.0003","18.003","0.0011","9.7974","0.0005","90","","115.066","0.003","90","","1601.74","0.14","150","1","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C84 H64 O12 -","4","1","","Zengming Shen; Peter K. Dornan; Hasan A. Khan; Tom K. Woo; Vy M. Dong","Mechanistic Insights into the Rhodium-Catalyzed Intramolecular Ketone Hydroacylation","Journal of the American Chemical Society","2009","131","","1077","1091","10.1021/ja806758m","","","0.71073","MoKα","","0.0755","0.046","","","0.1055","0.1221","","","","","","1.042","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103789","6.0476","0.0005","15.2453","0.0012","20.0851","0.0017","90","","90","","90","","1851.8","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 Br O4 -","- C18 H27 Br O4 -","- C72 H108 Br4 O16 -","4","1","","Hun Young Kim; Luca Salvi; Patrick J. Carroll; Patrick J. Walsh","Highly Enantio- and Diastereoselective One-Pot Methods for the Synthesis of Halocyclopropyl Alcohols","Journal of the American Chemical Society","2009","131","","954","962","10.1021/ja806989n","","","0.71073","MoKα","","0.0401","0.0348","","","0.0711","0.0746","","","","","","1.081","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103790","6.06","0.003","22.39","0.006","40.762","0.012","90","","90","","90","","5531","4","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 Cl O4 -","- C18 H27 Cl O4 -","- C72 H108 Cl4 O16 -","4","1","","Hun Young Kim; Luca Salvi; Patrick J. Carroll; Patrick J. Walsh","Highly Enantio- and Diastereoselective One-Pot Methods for the Synthesis of Halocyclopropyl Alcohols","Journal of the American Chemical Society","2009","131","","954","962","10.1021/ja806989n","","","0.71073","MoKα","","0.0865","0.0581","","","0.1172","0.1374","","","","","","1.092","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103791","6.8584","0.0003","13.6465","0.0008","21.3782","0.0014","90","","90","","90","","2000.9","0.2","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 I O4 -","- C20 H29 I O4 -","- C80 H116 I4 O16 -","4","1","","Hun Young Kim; Luca Salvi; Patrick J. Carroll; Patrick J. Walsh","Highly Enantio- and Diastereoselective One-Pot Methods for the Synthesis of Halocyclopropyl Alcohols","Journal of the American Chemical Society","2009","131","","954","962","10.1021/ja806989n","","","0.71069","MoKα","","0.0278","0.026","","","0.0614","0.0625","","","","","","1.059","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103792","6.094","0.006","15.229","0.014","20.355","0.018","90","","90","","90","","1889","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 I O4 -","- C18 H27 I O4 -","- C72 H108 I4 O16 -","4","1","","Hun Young Kim; Luca Salvi; Patrick J. Carroll; Patrick J. Walsh","Highly Enantio- and Diastereoselective One-Pot Methods for the Synthesis of Halocyclopropyl Alcohols","Journal of the American Chemical Society","2009","131","","954","962","10.1021/ja806989n","","","0.71069","MoKα","","0.0243","0.0196","","","0.0288","0.0299","","","","","","0.744","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103793","7.2994","0.0018","12.819","0.003","13.121","0.003","77.774","0.015","89.559","0.016","77.542","0.018","1170.7","0.5","153","1","153","1","","","","","","","","4","P 1","P 1","1","","","","- C23 H29.5 Br0.5 O4 -","- C23 H29.5 Br0.5 O4 -","- C46 H59 Br O8 -","2","2","","Hun Young Kim; Luca Salvi; Patrick J. Carroll; Patrick J. Walsh","Highly Enantio- and Diastereoselective One-Pot Methods for the Synthesis of Halocyclopropyl Alcohols","Journal of the American Chemical Society","2009","131","","954","962","10.1021/ja806989n","","","0.71073","MoKα","","0.0787","0.0684","","","0.1784","0.1881","","","","","","0.999","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103794","19.862","0.003","9.3987","0.0013","22.279","0.003","90","","90","","90","","4159","1","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H28 O4 -","- C24 H28 O4 -","- C192 H224 O32 -","8","1","","Andrew DeAngelis; Michael T. Taylor; Joseph M. Fox","Unusually Reactive and Selective Carbonyl Ylides for Three-Component Cycloaddition Reactions","Journal of the American Chemical Society","2009","131","","1101","1105","10.1021/ja807184r","","","0.71073","MoKα","","0.0722","0.0459","","","0.1143","0.1327","","","","","","1.056","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103795","11.765","0.004","15.839","0.005","22.419","0.007","90","","90","","90","","4178","2","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H24 O6 -","- C24 H24 O6 -","- C192 H192 O48 -","8","1","","Andrew DeAngelis; Michael T. Taylor; Joseph M. Fox","Unusually Reactive and Selective Carbonyl Ylides for Three-Component Cycloaddition Reactions","Journal of the American Chemical Society","2009","131","","1101","1105","10.1021/ja807184r","","","0.71073","MoKα","","0.1157","0.0529","","","0.1128","0.1385","","","","","","1.008","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103796","8.523","0.005","10.054","0.006","16.299","0.009","72.654","0.008","80.74","0.008","70.202","0.008","1251.6","1.3","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H28 O7 -","- C28 H28 O7 -","- C56 H56 O14 -","2","1","","Andrew DeAngelis; Michael T. Taylor; Joseph M. Fox","Unusually Reactive and Selective Carbonyl Ylides for Three-Component Cycloaddition Reactions","Journal of the American Chemical Society","2009","131","","1101","1105","10.1021/ja807184r","","","0.71073","MoKα","","0.0505","0.043","","","0.1111","0.1197","","","","","","1.007","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103797","8.252","0.003","9.571","0.003","17.007","0.005","97.352","0.004","97.916","0.004","101.042","0.004","1289.2","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 N O6 -","- C31 H29 N O6 -","- C62 H58 N2 O12 -","2","1","","Andrew DeAngelis; Michael T. Taylor; Joseph M. Fox","Unusually Reactive and Selective Carbonyl Ylides for Three-Component Cycloaddition Reactions","Journal of the American Chemical Society","2009","131","","1101","1105","10.1021/ja807184r","","","0.71073","MoKα","","0.0635","0.0481","","","0.1083","0.1189","","","","","","1.007","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103798","29.658","0.002","21.8217","0.0011","29.9635","0.0015","90","","90","","90","","19392","1.9","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C104 H104 Li2 O2 P6 S6 U -","- C104 H104 Li2 O2 P6 S6 U -","- C832 H832 Li16 O16 P48 S48 U8 -","8","1","","Thibault Cantat; Thérèse Arliguie; Anne Noël; Pierre Thuéry; Michel Ephritikhine; Pascal Le Floch; Nicolas Mézailles","The U=C Double Bond: Synthesis and Study of Uranium Nucleophilic Carbene Complexes","Journal of the American Chemical Society","2009","131","","963","972","10.1021/ja807282s","","","0.71073","MoKα","","0.129","0.0889","","","0.2145","0.2266","","","","","","1.096","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103799","14.0685","0.0003","15.4706","0.0003","24.6002","0.0004","107.317","0.002","98.742","0.001","95.683","0.001","4992.72","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C99.5 H112 B6 P6 S6 U3 -","- C99.5 H108 B6 P6 S6 U3 -","- C199 H216 B12 P12 S12 U6 -","2","1","","Thibault Cantat; Thérèse Arliguie; Anne Noël; Pierre Thuéry; Michel Ephritikhine; Pascal Le Floch; Nicolas Mézailles","The U=C Double Bond: Synthesis and Study of Uranium Nucleophilic Carbene Complexes","Journal of the American Chemical Society","2009","131","","963","972","10.1021/ja807282s","","","0.71073","MoKα","","0.0525","0.0328","","","0.076","0.0812","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103800","14.6445","0.0005","13.368","0.0004","17.8089","0.0006","90","","92.438","0.002","90","","3483.3","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H44 B2 O2 P2 S2 U -","- C33 H44 B2 O2 P2 S2 U -","- C132 H176 B8 O8 P8 S8 U4 -","4","1","","Thibault Cantat; Thérèse Arliguie; Anne Noël; Pierre Thuéry; Michel Ephritikhine; Pascal Le Floch; Nicolas Mézailles","The U=C Double Bond: Synthesis and Study of Uranium Nucleophilic Carbene Complexes","Journal of the American Chemical Society","2009","131","","963","972","10.1021/ja807282s","","","0.71073","MoKα","","0.0324","0.0248","","","0.0558","0.0578","","","","","","1.048","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103801","16.2135","0.0003","22.3247","0.0004","21.3662","0.0006","90","","91.524","0.001","90","","7731","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C83 H80 Li2 O2 P6 S6 U -","- C83 H80 Li2 O2 P6 S6 U -","- C332 H320 Li8 O8 P24 S24 U4 -","4","0.5","","Thibault Cantat; Thérèse Arliguie; Anne Noël; Pierre Thuéry; Michel Ephritikhine; Pascal Le Floch; Nicolas Mézailles","The U=C Double Bond: Synthesis and Study of Uranium Nucleophilic Carbene Complexes","Journal of the American Chemical Society","2009","131","","963","972","10.1021/ja807282s","","","0.71073","MoKα","","0.033","0.0266","","","0.0618","0.064","","","","","","1.029","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103802","11.6554","0.0004","13.5597","0.0005","15.5642","0.0005","103.382","0.002","97.274","0.002","95.948","0.002","2351.15","0.14","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H56 F9 N8 O13 S3 Tb -","- C30 H56 F9 N8 O13 S3 Tb -","- C60 H112 F18 N16 O26 S6 Tb2 -","2","1","","Matthew J. Belousoff; Phuc Ung; Craig M. Forsyth; Yitzhak Tor; Leone Spiccia; Bim Graham","New Macrocyclic Terbium(III) Complex for Use in RNA Footprinting Experiments","Journal of the American Chemical Society","2009","131","","1106","1114","10.1021/ja807301r","","","0.71073","MoKα","","0.0224","0.0205","","","0.0497","0.0506","","","","","","1.067","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103803","24.448","0.005","6.616","0.005","28.057","0.005","90","","109.246","0.005","90","","4285","3","100","2","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","calcium 5-azidotetrazolate pentahydrate","calcium 5-azidotetrazolate pentahydrate","","- C6 H32 Ca3 N42 O16 -","- C6 H32 Ca3 N42 O16 -","- C24 H128 Ca12 N168 O64 -","4","0.5","","Klapötke, Thomas M.; Stierstorfer, Jörg","The CN~7~^-^ anion","Journal of the American Chemical Society","2009","131","3","1122","1134","10.1021/ja8077522","","","0.71073","MoKα","","0.1036","0.0423","","","0.0763","0.0992","","","","","","0.96","","","","has coordinates","210875","2020-10-21","18:00:00",""
"4103804","10.8114","0.0005","7.4641","0.0004","7.6676","0.0004","90","","101.437","0.005","90","","606.47","0.05","100","2","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","hydrazinium 5-azidotetrazolate","hydrazinium 5-azidotetrazolate","","- C H5 N9 -","- C H5 N9 -","- C4 H20 N36 -","4","1","","Klapötke, Thomas M.; Stierstorfer, Jörg","The CN~7~^-^ anion","Journal of the American Chemical Society","2009","131","3","1122","1134","10.1021/ja8077522","","","0.71073","MoKα","","0.0477","0.0305","","","0.071","0.0767","","","","","","0.931","","","","has coordinates","210875","2020-10-21","18:00:00",""
"4103805","3.9103","0.0003","6.914","0.0004","9.9127","0.0006","90","","99.177","0.006","90","","264.57","0.03","200","2","200","","","","","","","","","3","P 1 21 1","P 2yb","4","ammonium 5-azidotetrazolate","ammonium 5-azidotetrazolate","","- C H4 N8 -","- C H4 N8 -","- C2 H8 N16 -","2","1","","Klapötke, Thomas M.; Stierstorfer, Jörg","The CN~7~^-^ anion","Journal of the American Chemical Society","2009","131","3","1122","1134","10.1021/ja8077522","","","0.71073","MoKα","","0.0731","0.0307","","","0.0516","0.0637","","","","","","0.907","","","","has coordinates","210875","2020-10-21","18:00:00",""
"4103806","9.7652","0.0008","9.7803","0.0009","10.0434","0.0009","71.327","0.008","74.399","0.007","63.962","0.009","807.15","0.14","200","2","200","","","","","","","","","3","P -1","-P 1","2","aminoguanidinium 5-azidotetrazolate","aminoguanidinium 5-azidotetrazolate","","- C2 H7 N11 -","- C2 H7 N11 -","- C8 H28 N44 -","4","2","","Klapötke, Thomas M.; Stierstorfer, Jörg","The CN~7~^-^ anion","Journal of the American Chemical Society","2009","131","3","1122","1134","10.1021/ja8077522","","","0.71073","MoKα","","0.106","0.045","","","0.0931","0.1154","","","","","","0.925","","","","has coordinates","210875","2020-10-21","18:00:00",""
"4103807","9.5374","0.0008","15.312","0.0009","10.5731","0.0006","90","","94.361","0.007","90","","1539.59","0.18","100","2","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","guanidinium 5-azidotetrazolate","guanidinium 5-azidotetrazolate","","- C2 H7 N10 O0.5 -","- C2 H7 N10 O0.5 -","- C16 H56 N80 O4 -","8","2","","Klapötke, Thomas M.; Stierstorfer, Jörg","The CN~7~^-^ anion","Journal of the American Chemical Society","2009","131","3","1122","1134","10.1021/ja8077522","","","0.71073","MoKα","","0.1619","0.049","","","0.0945","0.1288","","","","","","0.882","","","","has coordinates","210875","2020-10-21","18:00:00",""
"4103808","8.9207","0.0005","4.6663","0.0002","12.8648","0.0006","90","","95.608","0.005","90","","532.96","0.05","200","2","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","lithium 5-azidotetrazolate monohydrate","lithium 5-azidotetrazolate monohydrate","","- C H2 Li N7 O -","- C H2 Li N7 O -","- C4 H8 Li4 N28 O4 -","4","1","","Klapötke, Thomas M.; Stierstorfer, Jörg","The CN~7~^-^ anion","Journal of the American Chemical Society","2009","131","3","1122","1134","10.1021/ja8077522","","","0.71073","MoKα","","0.055","0.0313","","","0.0732","0.0869","","","","","","1.052","","","","has coordinates","210875","2020-10-21","18:00:00",""
"4103809","11.203","0.002","7.138","0.002","14.409","0.002","90","","91.63","0.01","90","","1151.8","0.4","200","2","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sodium 5-azidotetrazolate monohydrate","sodium 5-azidotetrazolate monohydrate","","- C H2 N7 Na O -","- C H2 N7 Na O -","- C8 H16 N56 Na8 O8 -","8","2","","Klapötke, Thomas M.; Stierstorfer, Jörg","The CN~7~^-^ anion","Journal of the American Chemical Society","2009","131","3","1122","1134","10.1021/ja8077522","","","0.71073","MoKα","","0.1028","0.0313","","","0.0671","0.0798","","","","","","0.713","","","","has coordinates","210875","2020-10-21","18:00:00",""
"4103810","9.7759","0.0009","6.299","0.0006","8.4533","0.0006","90","","96.72","0.008","90","","516.96","0.08","100","2","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","potassium 5-azdotetrazolate","potassium 5-azidotetrazolate","","- C K N7 -","- C K N7 -","- C4 K4 N28 -","4","1","","Klapötke, Thomas M.; Stierstorfer, Jörg","The CN~7~^-^ anion","Journal of the American Chemical Society","2009","131","3","1122","1134","10.1021/ja8077522","","","0.71073","MoKα","","0.0452","0.0315","","","0.074","0.0763","","","","","","0.988","","","","has coordinates","210875","2020-10-21","18:00:00",""
"4103811","4.3082","0.0001","7.1345","0.0002","18.6869","0.0009","90","","90","","90","","574.38","0.03","200","2","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cesium 5-azidotetrazolate","cesium 5-azidotetrazolate","","- C Cs N7 -","- C Cs N7 -","- C4 Cs4 N28 -","4","1","","Klapötke, Thomas M.; Stierstorfer, Jörg","The CN~7~^-^ anion","Journal of the American Chemical Society","2009","131","3","1122","1134","10.1021/ja8077522","","","0.71073","MoKα","","0.0275","0.0227","","","0.0394","0.0398","","","","","","0.918","","","","has coordinates","210875","2020-10-21","18:00:00",""
"4103812","17.775","0.002","10.7571","0.0012","18.0887","0.0019","90","","118.258","0.002","90","","3046.5","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Cu I N4 -","- C10 H24 Cu I N4 -","- C80 H192 Cu8 I8 N32 -","8","2","","Sonja Herres-Pawlis; Pratik Verma; Roxana Haase; Peng Kang; Christopher T. Lyons; Erik C. Wasinger; Ulrich Flörke; Gerald Henkel; T. Daniel P. Stack","Phenolate Hydroxylation in a Bis(μ-oxo)dicopper(III) Complex: Lessons from the Guanidine/Amine Series","Journal of the American Chemical Society","2009","131","","1154","1169","10.1021/ja807809x","","","0.71073","MoKα","","0.0358","0.0283","","","0.0587","0.0612","","","","","","1.036","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4103813","19.4392","0.0012","11.2206","0.0007","15.288","0.0009","90","","93.181","0.001","90","","3329.5","0.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H50 Cu3 I3 N8 O2 -","- C20 H50 Cu3 I3 N8 O2 -","- C80 H200 Cu12 I12 N32 O8 -","4","0.5","","Sonja Herres-Pawlis; Pratik Verma; Roxana Haase; Peng Kang; Christopher T. Lyons; Erik C. Wasinger; Ulrich Flörke; Gerald Henkel; T. Daniel P. Stack","Phenolate Hydroxylation in a Bis(μ-oxo)dicopper(III) Complex: Lessons from the Guanidine/Amine Series","Journal of the American Chemical Society","2009","131","","1154","1169","10.1021/ja807809x","","","0.71073","MoKα","","0.0479","0.0381","","","0.0905","0.0941","","","","","","1.04","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103814","6.023","0.0002","10.9397","0.0002","6.5172","0.0001","90","","100.728","0.001","90","","421.912","0.017","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C9 H6 Cr O3 -","- C9 H6 Cr O3 -","- C18 H12 Cr2 O6 -","2","0.5","","Louis J. Farrugia; Cameron Evans; Dieter Lentz; Max Roemer","The QTAIM Approach to Chemical Bonding Between Transition Metals and Carbocyclic Rings: A Combined Experimental and Theoretical Study of (η5-C5H5)Mn(CO)3, (η6-C6H6)Cr(CO)3, and (E)-{(η5-C5H4)CF=CF(η5-C5H4)}(η5-C5H5)2Fe2","Journal of the American Chemical Society","2009","131","","1251","1268","10.1021/ja808303j","","x-ray","0.71073","MoKα","","0.011","0.0084","","","","0.01","","","","","","1.662","","","","has coordinates,has Fobs","178784","2020-10-21","18:00:00",""
"4103815","16.9812","0.0004","16.9812","0.0004","5.8607","0.0001","90","","90","","90","","1690","0.06","100","2","100","2","","","","","","","synthesis as described","4","P 42/n :2","-P 4bc","86","","","","- C22 H18 F2 Fe2 -","- C22 H18 F2 Fe2 -","- C88 H72 F8 Fe8 -","4","0.5","","Louis J. Farrugia; Cameron Evans; Dieter Lentz; Max Roemer","The QTAIM Approach to Chemical Bonding Between Transition Metals and Carbocyclic Rings: A Combined Experimental and Theoretical Study of (η5-C5H5)Mn(CO)3, (η6-C6H6)Cr(CO)3, and (E)-{(η5-C5H4)CF=CF(η5-C5H4)}(η5-C5H5)2Fe2","Journal of the American Chemical Society","2009","131","","1251","1268","10.1021/ja808303j","","x-ray","0.71073","MoKα","","0.0228","0.0178","","","","0.0226","","","","","","1.401","","","","has coordinates,has Fobs","264764","2021-05-03","08:11:05",""
"4103816","10.7573","0.0003","6.9348","0.0002","11.6614","0.0003","90","","115.764","0.001","90","","783.46","0.04","100","2","100","2","","","","","","","commercial purchase","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 Mn O3 -","- C8 H5 Mn O3 -","- C32 H20 Mn4 O12 -","4","1","","Louis J. Farrugia; Cameron Evans; Dieter Lentz; Max Roemer","The QTAIM Approach to Chemical Bonding Between Transition Metals and Carbocyclic Rings: A Combined Experimental and Theoretical Study of (η5-C5H5)Mn(CO)3, (η6-C6H6)Cr(CO)3, and (E)-{(η5-C5H4)CF=CF(η5-C5H4)}(η5-C5H5)2Fe2","Journal of the American Chemical Society","2009","131","","1251","1268","10.1021/ja808303j","","x-ray","0.71073","MoKα","","0.0248","0.016","","","","0.012","","","","","","1.429","","","","has coordinates,has Fobs","178784","2020-10-21","18:00:00",""
"4103817","10.304","0.012","8.153","0.006","10.332","0.012","90","","101.67","0.04","90","","850","1.5","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C38 H44 O6 -","2","1","","Ana Z. González; José G. Román; Eyleen Alicea; Eda Canales; John A. Soderquist","Borabicyclo[3.3.2]decanes and the Stereoselective Asymmetric Synthesis of 1,3-Diol Stereotriads from 1,3-Diborylpropenes","Journal of the American Chemical Society","2009","131","","1269","1273","10.1021/ja808360z","","","0.71073","MoKα","","0.0458","0.0418","","","0.1145","0.1178","","","","","","1.077","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103818","7.3698","0.0014","9.719","0.003","13.835","0.004","107.84","0.03","97.26","0.03","103.55","0.02","895.8","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 Cl N O2 -","- C19 H24 Cl N O2 -","- C38 H48 Cl2 N2 O4 -","2","1","","Ana Z. González; José G. Román; Eyleen Alicea; Eda Canales; John A. Soderquist","Borabicyclo[3.3.2]decanes and the Stereoselective Asymmetric Synthesis of 1,3-Diol Stereotriads from 1,3-Diborylpropenes","Journal of the American Chemical Society","2009","131","","1269","1273","10.1021/ja808360z","","","0.71073","MoKα","","0.0485","0.0414","","","0.1095","0.1153","","","","","","1.031","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103819","10.201","0.005","8.152","0.004","10.264","0.005","90","","101.769","0.008","90","","835.6","0.7","301","2","301","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C38 H44 O6 -","2","1","","Ana Z. González; José G. Román; Eyleen Alicea; Eda Canales; John A. Soderquist","Borabicyclo[3.3.2]decanes and the Stereoselective Asymmetric Synthesis of 1,3-Diol Stereotriads from 1,3-Diborylpropenes","Journal of the American Chemical Society","2009","131","","1269","1273","10.1021/ja808360z","","","0.71073","MoKα","","0.0669","0.0563","","","0.1516","0.16","","","","","","1.023","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103820","9.53","0.006","20.803","0.013","17.593","0.011","90","","90.3","0.07","90","","3488","4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Br O2 -","- C18 H19 Br O2 -","- C144 H152 Br8 O16 -","8","2","","Ana Z. González; José G. Román; Eyleen Alicea; Eda Canales; John A. Soderquist","Borabicyclo[3.3.2]decanes and the Stereoselective Asymmetric Synthesis of 1,3-Diol Stereotriads from 1,3-Diborylpropenes","Journal of the American Chemical Society","2009","131","","1269","1273","10.1021/ja808360z","","","0.71073","MoKα","","0.1932","0.0701","","","0.2004","0.2578","","","","","","0.922","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103821","21.1763","0.0014","21.1763","0.0014","12.835","0.001","90","","90","","90","","5755.7","0.7","173","2","173","2","","","","","","","","6","I -4","I -4","82","","","","- C29 H29 B Mo N7 O6 -","- C29 H29 B Mo N7 O6 -","- C232 H232 B8 Mo8 N56 O48 -","8","1","","Thomas C. Coombs; Yongqiang Zhang; Ethel C. Garnier-Amblard; Lanny S. Liebeskind","Organometallic Enantiomeric Scaffolding. Sequential Semipinacol/1,5-""Michael-like"" Reactions as a Strategic Approach to Bridgehead-Quaternary Center Aza[3.3.1]Bicyclics: Application to the Total Synthesis of (-)-Adaline","Journal of the American Chemical Society","2009","131","","876","877","10.1021/ja808533z","","","0.71073","MoKα","","0.0492","0.0413","","","0.0801","0.0814","","","","","","1.008","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103822","10.4754","0.0002","12.8534","0.0002","13.4732","0.0003","104.527","0.001","112.404","0.001","103.191","0.001","1513.56","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H33 B Mo N7 O6 -","- C29 H33 B Mo N7 O6 -","- C58 H66 B2 Mo2 N14 O12 -","2","1","","Thomas C. Coombs; Yongqiang Zhang; Ethel C. Garnier-Amblard; Lanny S. Liebeskind","Organometallic Enantiomeric Scaffolding. Sequential Semipinacol/1,5-""Michael-like"" Reactions as a Strategic Approach to Bridgehead-Quaternary Center Aza[3.3.1]Bicyclics: Application to the Total Synthesis of (-)-Adaline","Journal of the American Chemical Society","2009","131","","876","877","10.1021/ja808533z","","","1.54178","CuKα","","0.0385","0.0379","","","0.1112","0.1118","","","","","","1.062","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103823","21.8377","0.0008","15.3687","0.0006","18.347","0.0007","90","","114.664","0.001","90","","5595.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,6-disipropylimido)(tris(trimetylphosphine))(hydrido)molybdenum chloride","","- C21 H45 Cl Mo N P3 -","- C21 H45 Cl Mo N P3 -","- C168 H360 Cl8 Mo8 N8 P24 -","8","2","","Erik Peterson; Andrey Y. Khalimon; Razvan Simionescu; Lyudmila G. Kuzmina; Judith A. K. Howard; Georgii I. Nikonov","Diversity of Catalysis by an Imido-Hydrido Complex of Molybdenum. Mechanism of Carbonyl Hydrosilylation and Silane Alcoholysis","Journal of the American Chemical Society","2009","131","","908","909","10.1021/ja8085388","","","0.71073","MoKα","","0.0758","0.0456","","","0.1023","0.1133","","","","","","1.02","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103824","13.396","0.002","14.841","0.003","24.848","0.004","87.145","0.003","85.91","0.004","66.989","0.003","4534.1","1.4","15","2","15","2","","","","","","","","8","P -1","-P 1","2","","","","- C93.64 H89.29 Cl3.29 Cu2 F12 N10 O15 P2 -","- C93.647 H89.294 Cl3.294 Cu2 F12 N10 O15 P2 -","- C187.294 H178.588 Cl6.588 Cu4 F24 N20 O30 P4 -","2","1","","Kristy A. McNitt; Kumar Parimal; Andrew I. Share; Albert C. Fahrenbach; Edward H. Witlicki; Maren Pink; D. Kwabena Bediako; Christina L. Plaisier; Nga Le; Lee P. Heeringa; Douglas A. Vander Griend; Amar H. Flood","Reduction of a Redox-Active Ligand Drives Switching in a Cu(I) Pseudorotaxane by a Bimolecular Mechanism","Journal of the American Chemical Society","2009","131","","1305","1313","10.1021/ja8085593","","","0.41328","synchrotron","","0.1312","0.0934","","","0.2371","0.2708","","","","","","1.047","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4103825","11.0618","0.0018","5.9755","0.001","6.3873","0.0011","90","","90","","90","","422.2","0.12","149","2","149","2","","","","","","","","2","P m m n :2","-P 2ab 2a","59","","","","- Br3 Tc -","- Br3 Tc -","- Br12 Tc4 -","4","0.5","","Frederic Poineau; Efrain E. Rodriguez; Paul M. Forster; Alfred P. Sattelberger; Anthony K. Cheetham; Kenneth R. Czerwinski","Preparation of the Binary Technetium Bromides: TcBr3 and TcBr4","Journal of the American Chemical Society","2009","131","","910","911","10.1021/ja808597r","","","0.71073","MoKα","","0.0777","0.062","","","0.1799","0.1887","","","","","","1.028","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103826","6.3237","0.0005","12.1777","0.0009","14.7397","0.0011","90","","90","","90","","1135.08","0.15","157","2","157","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Br4 Tc -","- Br4 Tc -","- Br32 Tc8 -","8","1","","Frederic Poineau; Efrain E. Rodriguez; Paul M. Forster; Alfred P. Sattelberger; Anthony K. Cheetham; Kenneth R. Czerwinski","Preparation of the Binary Technetium Bromides: TcBr3 and TcBr4","Journal of the American Chemical Society","2009","131","","910","911","10.1021/ja808597r","","","0.71073","MoKα","","0.0306","0.0216","","","0.0441","0.0466","","","","","","1.071","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103827","8.7449","0.0012","11.7058","0.0016","14.97","0.002","98.446","0.002","96.896","0.002","109.595","0.003","1404.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 Ge N2 O2 -","- C30 H42 Ge N2 O2 -","- C60 H84 Ge2 N4 O4 -","2","1","","Anukul Jana; Debajyoti Ghoshal; Herbert W. Roesky; Ina Objartel; Gerald Schwab; Dietmar Stalke","A Germanium(II) Hydride as an Effective Reagent for Hydrogermylation Reactions","Journal of the American Chemical Society","2009","131","","1288","1293","10.1021/ja808656t","","","0.71073","MoKα","","0.0354","0.0342","","","0.087","0.0876","","","","","","1.136","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103828","11.9917","0.0019","20.4171","0.0032","13.7973","0.0022","90","","106.896","0.003","90","","3232.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Ge N2 O2 -","- C34 H48 Ge N2 O2 -","- C136 H192 Ge4 N8 O8 -","4","1","","Anukul Jana; Debajyoti Ghoshal; Herbert W. Roesky; Ina Objartel; Gerald Schwab; Dietmar Stalke","A Germanium(II) Hydride as an Effective Reagent for Hydrogermylation Reactions","Journal of the American Chemical Society","2009","131","","1288","1293","10.1021/ja808656t","","","0.71073","MoKα","","0.0535","0.0401","","","0.1042","0.1094","","","","","","1.068","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103829","12.0106","0.0019","15.01","0.002","19.635","0.003","90","","103.98","0.002","90","","3434.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H48 Ge N2 O4 -","- C35 H48 Ge N2 O4 -","- C140 H192 Ge4 N8 O16 -","4","1","","Anukul Jana; Debajyoti Ghoshal; Herbert W. Roesky; Ina Objartel; Gerald Schwab; Dietmar Stalke","A Germanium(II) Hydride as an Effective Reagent for Hydrogermylation Reactions","Journal of the American Chemical Society","2009","131","","1288","1293","10.1021/ja808656t","","","0.71073","MoKα","","0.0306","0.0264","","","0.0649","0.0668","","","","","","1.023","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103830","11.5788","0.0019","17.559","0.003","19.778","0.003","90","","103.221","0.002","90","","3914.5","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H60 Ge N2 O4 -","- C41 H60 Ge N2 O4 -","- C164 H240 Ge4 N8 O16 -","4","1","","Anukul Jana; Debajyoti Ghoshal; Herbert W. Roesky; Ina Objartel; Gerald Schwab; Dietmar Stalke","A Germanium(II) Hydride as an Effective Reagent for Hydrogermylation Reactions","Journal of the American Chemical Society","2009","131","","1288","1293","10.1021/ja808656t","","","0.71073","MoKα","","0.0339","0.0279","","","0.0666","0.0689","","","","","","1.047","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103831","12.7426","0.001","15.655","0.0012","18.0931","0.0014","90","","106.335","0.001","90","","3463.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","AJ-12","","","- C36 H50 Ge N2 S2 -","- C36 H50 Ge N2 S2 -","- C144 H200 Ge4 N8 S8 -","4","1","","Anukul Jana; Debajyoti Ghoshal; Herbert W. Roesky; Ina Objartel; Gerald Schwab; Dietmar Stalke","A Germanium(II) Hydride as an Effective Reagent for Hydrogermylation Reactions","Journal of the American Chemical Society","2009","131","","1288","1293","10.1021/ja808656t","","","0.71073","MoKα","","0.0274","0.0236","","","0.0611","0.0634","","","","","","1.045","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103832","11.035","0.002","10.918","0.002","25.983","0.005","90","","90","","90","","3130.4","1","301","2","301","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H36 N4 S4 -","- C32 H36 N4 S4 -","- C128 H144 N16 S16 -","4","0.5","","Vivian Wing-Wah Yam; Jason Ka-Wai Lee; Chi-Chiu Ko; Nianyong Zhu","Photochromic Diarylethene-Containing Ionic Liquids and N-Heterocyclic Carbenes","Journal of the American Chemical Society","2009","131","","912","913","10.1021/ja808791e","","","0.71073","MoKα","","0.0868","0.0397","","","0.0856","0.0973","","","","","","0.883","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103833","9.006","0.0018","20.473","0.004","11.705","0.002","90","","109.54","0.03","90","","2033.9","0.8","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 F6 N2 P S2 -","- C17 H21 F6 N2 P S2 -","- C68 H84 F24 N8 P4 S8 -","4","1","","Vivian Wing-Wah Yam; Jason Ka-Wai Lee; Chi-Chiu Ko; Nianyong Zhu","Photochromic Diarylethene-Containing Ionic Liquids and N-Heterocyclic Carbenes","Journal of the American Chemical Society","2009","131","","912","913","10.1021/ja808791e","","","0.71073","MoKα","","0.0653","0.0397","","","0.1049","0.1118","","","","","","1.049","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103834","8.222","0.003","8.984","0.003","17.071","0.005","85.15","0.03","82.8","0.03","65.11","0.03","1134.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Ag Cl3 N2 S2 -","- C18 H22 Ag Cl3 N2 S2 -","- C36 H44 Ag2 Cl6 N4 S4 -","2","1","","Vivian Wing-Wah Yam; Jason Ka-Wai Lee; Chi-Chiu Ko; Nianyong Zhu","Photochromic Diarylethene-Containing Ionic Liquids and N-Heterocyclic Carbenes","Journal of the American Chemical Society","2009","131","","912","913","10.1021/ja808791e","","","0.71073","MoKα","","0.0535","0.0388","","","0.1003","0.1088","","","","","","1.022","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103835","17.141","0.003","7.93","0.0016","14.179","0.003","90","","96.23","0.03","90","","1915.9","0.7","301","2","301","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Au Cl N2 S2 -","- C17 H20 Au Cl N2 S2 -","- C68 H80 Au4 Cl4 N8 S8 -","4","1","","Vivian Wing-Wah Yam; Jason Ka-Wai Lee; Chi-Chiu Ko; Nianyong Zhu","Photochromic Diarylethene-Containing Ionic Liquids and N-Heterocyclic Carbenes","Journal of the American Chemical Society","2009","131","","912","913","10.1021/ja808791e","","","0.71073","MoKα","","0.046","0.0412","","","0.1135","0.1254","","","","","","1.082","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103836","7.951","0.0016","11.154","0.002","11.492","0.002","103.03","0.03","91.32","0.03","103.46","0.03","962.6","0.4","263","2","263","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 I2 N4 Pd S4 -","- C34 H40 I2 N4 Pd S4 -","- C34 H40 I2 N4 Pd S4 -","1","0.5","","Vivian Wing-Wah Yam; Jason Ka-Wai Lee; Chi-Chiu Ko; Nianyong Zhu","Photochromic Diarylethene-Containing Ionic Liquids and N-Heterocyclic Carbenes","Journal of the American Chemical Society","2009","131","","912","913","10.1021/ja808791e","","","0.71073","MoKα","","0.0399","0.0334","","","0.0942","0.0958","","","","","","0.998","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103837","11.746","0.0005","13.361","0.0003","41.32","0.0013","90","","106.1","0.002","90","","6230.4","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cp2WSi4(SiMetBu2)","","- C52 H108 Si8 W -","- C52 H108 Si8 W -","- C208 H432 Si32 W4 -","4","1","","Kazunori Takanashi; Vladimir Ya. Lee; Taka Yokoyama; Akira Sekiguchi","Base-Free Molybdenum and Tungsten Bicyclic Silylene Complexes Stabilized by a Homoaromatic Contribution","Journal of the American Chemical Society","2009","131","","916","917","10.1021/ja8088313","","","0.7107","MoKα","","0.0786","0.0552","","","0.13","0.1425","","","","","","1.038","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103838","44.661","0.005","13.57","0.005","29.304","0.005","90","0.005","114.204","0.005","90","0.005","16198","7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C130 H144 F36 N16 O36 P4 Pd2 S4 -","- C130 H144 F36 N16 O36 P4 Pd2 S4 -","- C520 H576 F144 N64 O144 P16 Pd8 S16 -","4","0.5","","Carlos Peinador; Víctor Blanco; José M. Quintela","A New Doubly Interlocked [2]Catenane","Journal of the American Chemical Society","2009","131","","920","921","10.1021/ja8088372","","","0.71073","MoKα","","0.2033","0.1182","","","0.3223","0.391","","","","","","1.281","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103839","8.999","","18.435","","34.463","","90","","90","","90","","5717.29","","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H27 N5 O3 Os -","- C30 H23 N5 O3 Os -","- C240 H184 N40 O24 Os8 -","8","1","","Subhas Samanta; Sreebrata Goswami","Regioselective Knitting of Anilinevia ortho-C-N Bond Fusion Using OsO4 as a Template","Journal of the American Chemical Society","2009","131","","924","925","10.1021/ja808901s","","","0.71073","MoKα","","0.1509","0.0874","","","0.1607","0.1832","","","","","","1.125","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4103840","26.657","0.005","9.5372","0.0017","16.013","0.003","90","","106.516","0.003","90","","3903.1","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C192 H144 N32 O8 Os8 -","- C192 H144 N32 O8 Os8 -","- C192 H144 N32 O8 Os8 -","1","0.25","","Subhas Samanta; Sreebrata Goswami","Regioselective Knitting of Anilinevia ortho-C-N Bond Fusion Using OsO4 as a Template","Journal of the American Chemical Society","2009","131","","924","925","10.1021/ja808901s","","","0.71073","MoKα","","0.0774","0.0543","","","0.1045","0.114","","","","","","1.172","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4103841","10.4293","0.0008","12.5452","0.0009","13.8588","0.0016","109.115","0.002","101.802","0.002","110.145","0.001","1502","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 N6 Os -","- C36 H26 N6 Os -","- C72 H52 N12 Os2 -","2","1","","Subhas Samanta; Sreebrata Goswami","Regioselective Knitting of Anilinevia ortho-C-N Bond Fusion Using OsO4 as a Template","Journal of the American Chemical Society","2009","131","","924","925","10.1021/ja808901s","","","0.71073","MoKα","","0.0231","0.021","","","0.0539","0.0546","","","","","","1.075","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103842","17.4203","0.0012","11.1311","0.0007","15.0886","0.0009","90","","110.124","0.004","90","","2747.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N6 Os -","- C36 H26 N6 Os -","- C144 H104 N24 Os4 -","4","1","","Subhas Samanta; Sreebrata Goswami","Regioselective Knitting of Anilinevia ortho-C-N Bond Fusion Using OsO4 as a Template","Journal of the American Chemical Society","2009","131","","924","925","10.1021/ja808901s","","","0.71073","MoKα","","0.0717","0.0426","","","0.0844","0.0917","","","","","","1.093","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103843","16.308","0.003","7.9739","0.0014","17.077","0.004","90","","109.33","0.004","90","","2095.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F2 N2 Pd -","- C10 H10 F2 N2 Pd -","- C80 H80 F16 N16 Pd8 -","8","2","","Vladimir V. Grushin; William J. Marshall","trans-Difluoro Complexes of Palladium(II)","Journal of the American Chemical Society","2009","131","","918","919","10.1021/ja808975a","","","0.71073","MoKα","","0.1023","0.056","","","0.1018","0.1243","","","","","","0.975","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103844","21.979","0.003","9.4601","0.001","15.5953","0.0017","90","","120.946","0.002","90","","2781","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 F N2 Pd -","- C16 H15 F N2 Pd -","- C128 H120 F8 N16 Pd8 -","8","1","","Vladimir V. Grushin; William J. Marshall","trans-Difluoro Complexes of Palladium(II)","Journal of the American Chemical Society","2009","131","","918","919","10.1021/ja808975a","","","0.71073","MoKα","","0.0432","0.0322","","","0.0754","0.0811","","","","","","1.059","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103845","17.553","0.01","10.013","0.006","9.524","0.005","90","","118.781","0.013","90","","1467.1","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 F N2 Pd -","- C16 H15 F N2 Pd -","- C64 H60 F4 N8 Pd4 -","4","0.5","","Vladimir V. Grushin; William J. Marshall","trans-Difluoro Complexes of Palladium(II)","Journal of the American Chemical Society","2009","131","","918","919","10.1021/ja808975a","","","0.71073","MoKα","","0.0708","0.0513","","","0.1103","0.1182","","","","","","1.044","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103846","8.71","0.003","14.865","0.005","5.3681","0.0018","90","","100.127","0.005","90","","684.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H10 I2 N2 Pd -","- C10 H10 I2 N2 Pd -","- C20 H20 I4 N4 Pd2 -","2","0.25","","Vladimir V. Grushin; William J. Marshall","trans-Difluoro Complexes of Palladium(II)","Journal of the American Chemical Society","2009","131","","918","919","10.1021/ja808975a","","","0.71073","MoKα","","0.0477","0.0389","","","0.1006","0.1067","","","","","","1.105","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103847","17.039","0.008","4.993","0.002","17.697","0.008","90","","115.202","0.006","90","","1362.3","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 I2 N2 Pd -","- C10 H10 I2 N2 Pd -","- C40 H40 I8 N8 Pd4 -","4","0.5","","Vladimir V. Grushin; William J. Marshall","trans-Difluoro Complexes of Palladium(II)","Journal of the American Chemical Society","2009","131","","918","919","10.1021/ja808975a","","","0.71073","MoKα","","0.0561","0.0417","","","0.0975","0.1042","","","","","","1.059","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103848","13.777","0.003","8.0323","0.0017","16.268","0.003","90","","90","","90","","1800.2","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H26 F2 N2 Pd -","- C18 H26 F2 N2 Pd -","- C72 H104 F8 N8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","trans-Difluoro Complexes of Palladium(II)","Journal of the American Chemical Society","2009","131","","918","919","10.1021/ja808975a","","","0.71073","MoKα","","0.1114","0.108","","","0.0599","0.0622","","","","","","0.868","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103849","16.821","0.014","12.063","0.01","11.799","0.009","90","","108.507","0.012","90","","2270","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 F N2 Pd -","- C24 H31 F N2 Pd -","- C96 H124 F4 N8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","trans-Difluoro Complexes of Palladium(II)","Journal of the American Chemical Society","2009","131","","918","919","10.1021/ja808975a","","","0.71073","MoKα","","0.0332","0.0258","","","0.0597","0.0635","","","","","","1.041","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103850","9.982","0.0003","17.5147","0.0006","24.8092","0.0008","99.753","0.002","92.355","0.002","103.755","0.002","4137.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42.5 H46 Cl6 Sb -","- C42.5 H46 Cl6 Sb -","- C170 H184 Cl24 Sb4 -","4","2","","Moloy Banerjee; Ruchi Shukla; Rajendra Rathore","Synthesis, Optical, and Electronic Properties of Soluble Poly-p-phenylene Oligomers as Models for Molecular Wires","Journal of the American Chemical Society","2009","131","","1780","1786","10.1021/ja805102d","","","1.54178","CuKα","","0.0308","0.0261","","","0.0648","0.0669","","","","","","1.013","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103851","11.7185","0.0002","11.7394","0.0002","34.3511","0.0005","90","","92.989","0.001","90","","4719.19","0.13","100","2","100","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C32 H34 -","- C32 H34 -","- C256 H272 -","8","2","","Moloy Banerjee; Ruchi Shukla; Rajendra Rathore","Synthesis, Optical, and Electronic Properties of Soluble Poly-p-phenylene Oligomers as Models for Molecular Wires","Journal of the American Chemical Society","2009","131","","1780","1786","10.1021/ja805102d","","","1.54178","CuKα","","0.0317","0.0313","","","0.0853","0.0858","","","","","","1.011","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103852","13.5549","0.0002","15.6338","0.0003","18.5732","0.0003","90","","90","","90","","3935.93","0.11","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H19 Al N2 O4 -","- C23 H19 Al N2 O4 -","- C184 H152 Al8 N16 O32 -","8","1","","Victor A. Montes; Grigory V. Zyryanov; Evgeny Danilov; Neeraj Agarwal; Manuel A. Palacios; Pavel Anzenbacher","Ultrafast Energy Transfer in Oligofluorene-Aluminum Bis(8-hydroxyquinoline)acetylacetone Coordination Polymers","Journal of the American Chemical Society","2009","131","","1787","1795","10.1021/ja805175w","","","0.71073","MoKα","","0.0942","0.0539","","","0.0927","0.1032","","","","","","1.121","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103853","8.6445","0.0009","10.622","0.0011","26.384","0.003","90","","97.951","0.002","90","","2399.3","0.4","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 O8 -","- C28 H28 O8 -","- C112 H112 O32 -","4","1","","Scott A. Snyder; Steven P. Breazzano; Audrey G. Ross; Yunqing Lin; Alexandros L. Zografos","Total Synthesis of Diverse Carbogenic Complexity within the Resveratrol Class from a Common Building Block","Journal of the American Chemical Society","2009","131","","1753","1765","10.1021/ja806183r","","","0.71073","MoKα","","0.1101","0.0661","","","0.1696","0.1994","","","","","","1.041","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103854","8.8332","0.0004","9.7719","0.0004","16.816","0.0007","101.213","0.001","90.461","0.001","107.48","","1354.62","0.1","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 Cl3 O7 -","- C28 H29 Cl3 O7 -","- C56 H58 Cl6 O14 -","2","1","","Scott A. Snyder; Steven P. Breazzano; Audrey G. Ross; Yunqing Lin; Alexandros L. Zografos","Total Synthesis of Diverse Carbogenic Complexity within the Resveratrol Class from a Common Building Block","Journal of the American Chemical Society","2009","131","","1753","1765","10.1021/ja806183r","","","0.71073","MoKα","","0.062","0.041","","","0.1032","0.1144","","","","","","1.021","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103855","12.7907","0.001","15.3447","0.0012","12.2082","0.001","90","","107.131","0.001","90","","2289.8","0.3","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 O7 -","- C27 H28 O7 -","- C108 H112 O28 -","4","1","","Scott A. Snyder; Steven P. Breazzano; Audrey G. Ross; Yunqing Lin; Alexandros L. Zografos","Total Synthesis of Diverse Carbogenic Complexity within the Resveratrol Class from a Common Building Block","Journal of the American Chemical Society","2009","131","","1753","1765","10.1021/ja806183r","","","0.71073","MoKα","","0.1016","0.0648","","","0.1839","0.2112","","","","","","1.076","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103856","15.983","0.004","8.71","0.002","23.384","0.005","90","","109.854","0.003","90","","3061.8","1.2","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 Cl6 O6 -","- C27 H27 O6 -","- C108 H108 O24 -","4","1","","Scott A. Snyder; Steven P. Breazzano; Audrey G. Ross; Yunqing Lin; Alexandros L. Zografos","Total Synthesis of Diverse Carbogenic Complexity within the Resveratrol Class from a Common Building Block","Journal of the American Chemical Society","2009","131","","1753","1765","10.1021/ja806183r","","","0.71073","MoKα","","0.2107","0.1105","","","0.2835","0.3169","","","","","","1.017","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103857","8.6151","0.0012","22.939","0.003","11.7749","0.0016","90","","101.057","0.002","90","","2283.8","0.5","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 O6 -","- C27 H28 O6 -","- C108 H112 O24 -","4","1","","Scott A. Snyder; Steven P. Breazzano; Audrey G. Ross; Yunqing Lin; Alexandros L. Zografos","Total Synthesis of Diverse Carbogenic Complexity within the Resveratrol Class from a Common Building Block","Journal of the American Chemical Society","2009","131","","1753","1765","10.1021/ja806183r","","","0.71073","MoKα","","0.1577","0.0716","","","0.1735","0.2148","","","","","","1.032","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103858","12.4139","0.0004","5.3288","0.0002","17.1999","0.0006","90","","106.471","0.001","90","","1091.1","0.07","125","2","125","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H26 O6 -","- C26 H26 O6 -","- C52 H52 O12 -","2","1","","Scott A. Snyder; Steven P. Breazzano; Audrey G. Ross; Yunqing Lin; Alexandros L. Zografos","Total Synthesis of Diverse Carbogenic Complexity within the Resveratrol Class from a Common Building Block","Journal of the American Chemical Society","2009","131","","1753","1765","10.1021/ja806183r","","","0.71073","MoKα","","0.051","0.0416","","","0.1042","0.1099","","","","","","1.029","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103859","15.104","0.0002","14.136","0.0002","16.745","0.0003","90","","99.633","0.001","90","","3524.82","0.09","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C40 H42 F N2 O P Ru -","- C40 H42 F N2 O P Ru -","- C160 H168 F4 N8 O4 P4 Ru4 -","4","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.0443","0.0318","","","0.0729","0.0787","","","","","","1.071","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103860","13.731","0.0001","13.606","0.0001","21.764","0.0003","90","","105.746","0.004","90","","3913.46","0.1","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C44 H48 F N2 O2 P Ru -","- C44 H48 F N2 O2 P Ru -","- C176 H192 F4 N8 O8 P4 Ru4 -","4","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.0646","0.0396","","","0.0945","0.1059","","","","","","1.054","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103861","11.305","0.0002","11.897","0.0003","20.774","0.0006","96.212","0.001","96.477","0.001","118","0.002","2409.5","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H58 N2 O P2 Ru -","- C58 H58 N2 O P2 Ru -","- C116 H116 N4 O2 P4 Ru2 -","2","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.067","0.0504","","","0.11","0.1168","","","","","","1.146","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103862","11.753","0.0001","12.48","0.0001","39.072","0.0004","90","","90","","90","","5730.98","0.09","150","2","150","2","","","","","","","","6","P 21 c n","P -2n 2a","33","","","","- C68 H78 N2 O2 P2 Ru -","- C68 H78 N2 O2 P2 Ru -","- C272 H312 N8 O8 P8 Ru4 -","4","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.0778","0.0472","","","0.0757","0.0843","","","","","","1.048","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103863","11.601","0.0001","12.606","0.0002","39.35","0.0006","90","","90","","90","","5754.63","0.14","150","2","150","2","","","","","","","","6","P 21 c n","P -2n 2a","33","","","","- C68 H76 N2 O2 P2 Ru -","- C68 H76 N2 O2 P2 Ru -","- C272 H304 N8 O8 P8 Ru4 -","4","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.073","0.047","","","0.0792","0.0874","","","","","","1.062","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103864","44.345","0.0005","13.664","0.0001","13.479","0.0001","90","","93.837","0.001","90","","8149.02","0.13","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H48 F N2 O2 P Ru -","- C47 H48 F N2 O2 P Ru -","- C376 H384 F8 N16 O16 P8 Ru8 -","8","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.0492","0.034","","","0.0753","0.0822","","","","","","1.023","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103865","14.79","0.0002","17.245","0.0002","18.349","0.0003","90","","103.615","0.001","90","","4548.47","0.11","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H61 F N2 O2 P Ru -","- C50 H54 F N2 O2 P Ru -","- C200 H216 F4 N8 O8 P4 Ru4 -","4","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.0625","0.0403","","","0.0847","0.0935","","","","","","1.038","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103866","10.745","0.0001","31.766","0.0003","12.5","0.0001","90","","90","","90","","4266.57","0.07","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C47 H54 F N2 O3 P Ru -","- C47 H52 F N2 O3 P Ru -","- C188 H208 F4 N8 O12 P4 Ru4 -","4","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.0523","0.045","","","0.0978","0.1012","","","","","","1.076","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103867","44.334","0.0005","13.712","0.0002","13.372","0.0002","90","","93.96","0.001","90","","8109.54","0.19","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H46 F N2 O2 P Ru -","- C47 H46 F N2 O2 P Ru -","- C376 H368 F8 N16 O16 P8 Ru8 -","8","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.0658","0.0391","","","0.0797","0.0906","","","","","","1.043","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103868","30.622","0.004","12.7487","0.0017","26.301","0.004","90","","102.477","0.002","90","","10025","2","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46.5 H53 Cl5 O16 -","- C44 H48 O16 -","- C352 H384 O128 -","8","1","","Scott A. Snyder; Ferenc Kontes","Explorations into Neolignan Biosynthesis: Concise Total Syntheses of Helicterin B, Helisorin, and Helisterculin A from a Common Intermediate","Journal of the American Chemical Society","2009","131","","1745","1752","10.1021/ja806865u","","","0.71073","MoKα","","0.1428","0.0712","","","0.1694","0.1922","","","","","","1.009","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103869","10.4583","0.0012","10.8459","0.0012","11.8553","0.0013","65.243","0.002","65.777","0.002","81.552","0.002","1113.1","0.2","125","2","125","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H28 O9 -","- C24 H28 O9 -","- C48 H56 O18 -","2","1","","Scott A. Snyder; Ferenc Kontes","Explorations into Neolignan Biosynthesis: Concise Total Syntheses of Helicterin B, Helisorin, and Helisterculin A from a Common Intermediate","Journal of the American Chemical Society","2009","131","","1745","1752","10.1021/ja806865u","","","0.71073","MoKα","","0.0639","0.0492","","","0.1681","0.1897","","","","","","1.051","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103870","8.224","0.002","10.543","0.003","12.41","0.003","70.152","0.004","81.717","0.004","81.656","0.004","996.2","0.4","125","2","125","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H25 O8 -","- C22 H25 O8 -","- C44 H50 O16 -","2","1","","Scott A. Snyder; Ferenc Kontes","Explorations into Neolignan Biosynthesis: Concise Total Syntheses of Helicterin B, Helisorin, and Helisterculin A from a Common Intermediate","Journal of the American Chemical Society","2009","131","","1745","1752","10.1021/ja806865u","","","0.71073","MoKα","","0.1891","0.0641","","","0.1234","0.1585","","","","","","1.01","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103871","12.2083","0.0008","14.8043","0.001","14.8729","0.001","86.302","0.001","69.538","0.001","89.653","0.001","2512.8","0.3","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H58 Cl4 O17 -","- C48 H56 Cl4 O17 -","- C96 H112 Cl8 O34 -","2","1","","Scott A. Snyder; Ferenc Kontes","Explorations into Neolignan Biosynthesis: Concise Total Syntheses of Helicterin B, Helisorin, and Helisterculin A from a Common Intermediate","Journal of the American Chemical Society","2009","131","","1745","1752","10.1021/ja806865u","","","0.71073","MoKα","","0.1339","0.0744","","","0.21","0.2483","","","","","","1.035","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103872","9.6319","0.0014","10.0782","0.0015","11.4236","0.0017","95.203","0.002","109.962","0.002","105.838","0.002","981.8","0.3","125","2","125","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 O8 -","- C22 H22 O8 -","- C44 H44 O16 -","2","1","","Scott A. Snyder; Ferenc Kontes","Explorations into Neolignan Biosynthesis: Concise Total Syntheses of Helicterin B, Helisorin, and Helisterculin A from a Common Intermediate","Journal of the American Chemical Society","2009","131","","1745","1752","10.1021/ja806865u","","","0.71073","MoKα","","0.1394","0.0573","","","0.1105","0.135","","","","","","1.014","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103873","10.88","0.003","17.907","0.004","19.794","0.005","84.234","0.002","79.86","0.003","73.623","0.003","3636.9","1.6","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H82 B3 N7 O16 -","- C78 H82 B3 N7 O16 -","- C156 H164 B6 N14 O32 -","2","1","","Hiroshi Danjo; Kadzuya Hirata; Seiki Yoshigai; Isao Azumaya; Kentaro Yamaguchi","Back to Back Twin Bowls of D3-Symmetric Tris(spiroborate)s for Supramolecular Chain Structures","Journal of the American Chemical Society","2009","131","","1638","1639","10.1021/ja8071435","","","0.71073","MoKα","","0.1371","0.111","","","0.3551","0.3826","","","","","","1.534","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103874","21.698","0.014","22.607","0.014","27.01","0.008","67.78","0.08","73.26","0.09","68.21","0.08","11220","13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C252 H256 B6 Ir2 N20 O41 -","- C251.94 H255.88 B6 Ir2 N20 O41 -","- C503.88 H511.76 B12 Ir4 N40 O82 -","2","1","","Hiroshi Danjo; Kadzuya Hirata; Seiki Yoshigai; Isao Azumaya; Kentaro Yamaguchi","Back to Back Twin Bowls of D3-Symmetric Tris(spiroborate)s for Supramolecular Chain Structures","Journal of the American Chemical Society","2009","131","","1638","1639","10.1021/ja8071435","","","0.7","synchrotron","","0.1673","0.1421","","","0.3512","0.3921","","","","","","1.258","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103875","7.0932","0.0003","11.9357","0.0005","20.7406","0.0009","98.387","0.004","98.331","0.004","93.949","0.004","1711.56","0.13","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H20 F6 N6 O2 S2 -","- C42 H20 F6 N6 O2 S2 -","- C84 H40 F12 N12 O4 S4 -","2","1","","Taegweon Lee; Chad A. Landis; Bal Mukund Dhar; Byung Jun Jung; Jia Sun; Amy Sarjeant; Ho-Jin Lee; Howard E. Katz","Synthesis, Structural Characterization, and Unusual Field-Effect Behavior of Organic Transistor Semiconductor Oligomers: Inferiority of Oxadiazole Compared with Other Electron-Withdrawing Subunits","Journal of the American Chemical Society","2009","131","","1692","1705","10.1021/ja807219x","","","0.71073","MoKα","","0.1777","0.0846","","","0.1388","0.1757","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103876","26.3044","0.0008","26.3044","0.0008","26.3044","0.0008","90","","90","","90","","18200.6","1","296","2","293","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C76 H36 Cu12 N O112 Si W12 -","- C76 H36.24 Cu12 N O112 Si W12 -","- C304 H144.96 Cu48 N4 O448 Si4 W48 -","4","0.0208333","","Chun-Yan Sun; Shu-Xia Liu; Da-Dong Liang; Kui-Zhan Shao; Yuan-Hang Ren; Zhong-Min Su","Highly Stable Crystalline Catalysts Based on a Microporous Metal-Organic Framework and Polyoxometalates","Journal of the American Chemical Society","2009","131","","1883","1888","10.1021/ja807357r","","","0.71073","MoKα","","0.0434","0.0313","","","0.0965","0.1005","","","","","","1.089","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103877","26.3189","0.0012","26.318","0.012","26.318","0.012","90","","90","","90","","18229","12","296","2","293","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C76 H36 Cu12 Ge N O112 W12 -","- C76 H35.52 Cu12 Ge N O112 W12 -","- C304 H142.08 Cu48 Ge4 N4 O448 W48 -","4","0.0208333","","Chun-Yan Sun; Shu-Xia Liu; Da-Dong Liang; Kui-Zhan Shao; Yuan-Hang Ren; Zhong-Min Su","Highly Stable Crystalline Catalysts Based on a Microporous Metal-Organic Framework and Polyoxometalates","Journal of the American Chemical Society","2009","131","","1883","1888","10.1021/ja807357r","","","0.71073","MoKα","","0.0668","0.0493","","","0.1373","0.1608","","","","","","1.295","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103878","26.3141","0.0012","26.3141","0.0012","26.3141","0.0012","90","","90","","90","","18220.7","1.4","293","2","293","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C148 H48 Cu24 N2 O221.84 P2 W24 -","- C148 H48 Cu24 N2 O221.84 P2 W24 -","- C296 H96 Cu48 N4 O443.68 P4 W48 -","2","0.0104167","","Chun-Yan Sun; Shu-Xia Liu; Da-Dong Liang; Kui-Zhan Shao; Yuan-Hang Ren; Zhong-Min Su","Highly Stable Crystalline Catalysts Based on a Microporous Metal-Organic Framework and Polyoxometalates","Journal of the American Chemical Society","2009","131","","1883","1888","10.1021/ja807357r","","","0.71073","MoKα","","0.0541","0.0411","","","0.1214","0.1393","","","","","","1.275","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103879","26.3034","0.0009","26.3034","0.0009","26.3034","0.0009","90","","90","","90","","18198.5","1.1","296","2","296","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C304 Cu48 Mo48 N4 O461.2 Si4 -","- C304 Cu48 Mo48 N4 O461.2 Si4 -","- C304 Cu48 Mo48 N4 O461.2 Si4 -","1","0.00520833","","Chun-Yan Sun; Shu-Xia Liu; Da-Dong Liang; Kui-Zhan Shao; Yuan-Hang Ren; Zhong-Min Su","Highly Stable Crystalline Catalysts Based on a Microporous Metal-Organic Framework and Polyoxometalates","Journal of the American Chemical Society","2009","131","","1883","1888","10.1021/ja807357r","","","0.71073","MoKα","","0.0709","0.058","","","0.1857","0.1958","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103880","26.3348","0.0008","26.3348","0.0008","26.3348","0.0008","90","","90","","90","","18263.8","1","296","2","296","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C148 H48 Cu24 Mo24 N O224 P2 -","- C148 H48 Cu24 Mo24 N O224 P2 -","- C296 H96 Cu48 Mo48 N2 O448 P4 -","2","0.0104167","","Chun-Yan Sun; Shu-Xia Liu; Da-Dong Liang; Kui-Zhan Shao; Yuan-Hang Ren; Zhong-Min Su","Highly Stable Crystalline Catalysts Based on a Microporous Metal-Organic Framework and Polyoxometalates","Journal of the American Chemical Society","2009","131","","1883","1888","10.1021/ja807357r","","","0.71073","MoKα","","0.0547","0.0513","","","0.1618","0.1656","","","","","","1.139","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103881","26.3239","0.0006","26.3239","0.0006","26.3239","0.0006","90","","90","","90","","18241.1","0.7","293","2","293","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C148 H48 As2 Cu24 Mo24 N O212 -","- C148 H48 As2 Cu24 Mo24 N O212 -","- C296 H96 As4 Cu48 Mo48 N2 O424 -","2","0.0104167","","Chun-Yan Sun; Shu-Xia Liu; Da-Dong Liang; Kui-Zhan Shao; Yuan-Hang Ren; Zhong-Min Su","Highly Stable Crystalline Catalysts Based on a Microporous Metal-Organic Framework and Polyoxometalates","Journal of the American Chemical Society","2009","131","","1883","1888","10.1021/ja807357r","","","0.71073","MoKα","","0.0525","0.0496","","","0.1538","0.1561","","","","","","1.102","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103882","25.5737","0.0009","25.5737","0.0009","12.5736","0.0009","90","","90","","90","","8223.3","0.7","173","2","173","2","","","","","","","","6","P 41","P 4w","76","06235b","","","- C83 H62 F24 N14 P4 Ru2 -","- C83 H62 F24 N14 P4 Ru2 -","- C332 H248 F96 N56 P16 Ru8 -","4","1","","Kari A. McGee; Kent R. Mann","Inefficient Crystal Packing in Chiral [Ru(phen)3](PF6)2 Enables Oxygen Molecule Quenching of the Solid-State MLCT Emission","Journal of the American Chemical Society","2009","131","","1896","1902","10.1021/ja8075605","","","0.71073","MoKα","","0.1209","0.073","","","0.1549","0.1755","","","","","","1.027","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103883","11.5794","0.0003","13.935","0.0004","16.6418","0.0005","90","","105.578","0.001","90","","2586.66","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Cl2 N2 O Ru -","- C27 H30 Cl2 N2 O Ru -","- C108 H120 Cl8 N8 O4 Ru4 -","4","1","","Ian C. Stewart; Diego Benitez; Daniel J. O'Leary; Ekaterina Tkatchouk; Michael W. Day; William A. Goddard; Robert H. Grubbs","Conformations of N-Heterocyclic Carbene Ligands in Ruthenium Complexes Relevant to Olefin Metathesis","Journal of the American Chemical Society","2009","131","","1931","1938","10.1021/ja8078913","","","0.71073","MoKα","","0.0575","0.0348","","","0.0652","0.0688","","","","","","1.35","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4103884","17.1288","0.0009","15.8049","0.0008","19.861","0.0012","90","","90","","90","","5376.7","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H28 Cl4 N2 Ru -","- C27 H28 Cl4 N2 Ru -","- C216 H224 Cl32 N16 Ru8 -","8","2","","Ian C. Stewart; Diego Benitez; Daniel J. O'Leary; Ekaterina Tkatchouk; Michael W. Day; William A. Goddard; Robert H. Grubbs","Conformations of N-Heterocyclic Carbene Ligands in Ruthenium Complexes Relevant to Olefin Metathesis","Journal of the American Chemical Society","2009","131","","1931","1938","10.1021/ja8078913","","","0.71073","MoKα","","0.1073","0.0538","","","0.0956","0.0995","","","","","","2.288","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4103885","6.3906","0.0002","10.7093","0.0002","39.9227","0.0006","90","","90","","90","","2732.26","0.11","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H37 N O3 Si -","- C29 H37 N O3 Si -","- C116 H148 N4 O12 Si4 -","4","1","","Yu-hong Lam; Paul Ha-Yeon Cheong; José M. Blasco Mata; Steven J. Stanway; Véronique Gouverneur; K. N. Houk","Diels-Alder Exo Selectivity in Terminal-Substituted Dienes and Dienophiles: Experimental Discoveries and Computational Explanations","Journal of the American Chemical Society","2009","131","","1947","1957","10.1021/ja8079548","","","0.71073","MoKα","","0.0606","0.0377","","0.0592","0.0411","0.0411","","","","","","1.0945","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103886","21.111","0.003","17.542","0.003","21.355","0.003","90","","97.37","0.03","90","","7843","2","294","2","294","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C55 H68 F6 N8 O16 S2 Zn -","- C55 H28 F6 N8 O15 S2 Zn -","- C220 H112 F24 N32 O60 S8 Zn4 -","4","1","","Shiyong Zhang; Shuaijun Yang; Jingbo Lan; Yurong Tang; Ying Xue; Jingsong You","Ultrasound-Induced Switching of Sheetlike Coordination Polymer Microparticles to Nanofibers Capable of Gelating Solvents","Journal of the American Chemical Society","2009","131","","1689","1691","10.1021/ja808210z","","","0.71073","MoKα","","0.2714","0.0989","","","0.2457","0.3209","","","","","","0.948","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103887","20.588","0.003","9.481","0.003","8.455","0.003","90","","110.54","0.03","90","","1545.5","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N4 O -","- C18 H16 N4 O -","- C72 H64 N16 O4 -","4","0.5","","Shiyong Zhang; Shuaijun Yang; Jingbo Lan; Yurong Tang; Ying Xue; Jingsong You","Ultrasound-Induced Switching of Sheetlike Coordination Polymer Microparticles to Nanofibers Capable of Gelating Solvents","Journal of the American Chemical Society","2009","131","","1689","1691","10.1021/ja808210z","","","0.71073","MoKα","","0.1257","0.0439","","","0.1007","0.123","","","","","","0.95","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103888","40.6692","0.0005","9.6463","0.0002","21.1243","0.0004","90","","120.872","0.001","90","","7113","0.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H33 B F10 Si2 Zr -","- C34 H33 B F10 Si2 Zr -","- C272 H264 B8 F80 Si16 Zr8 -","8","1","","Juri Ugolotti; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Five-Membered Zirconacycloallenoids: Synthesis and Characterization of Members of a Unique Class of Internally Metal-Stabilized Bent Allenoid Compounds","Journal of the American Chemical Society","2009","131","","1996","2007","10.1021/ja8084302","","","0.71073","MoKα","","0.1195","0.0522","","","0.1128","0.1344","","","","","","1.005","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103889","12.0655","0.0001","14.5258","0.0002","15.7909","0.0003","111.166","0.001","94.238","0.001","111.542","0.001","2331.55","0.07","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H57 B F10 Si2 Zr -","- C45 H57 B F10 Si2 Zr -","- C90 H114 B2 F20 Si4 Zr2 -","2","1","","Juri Ugolotti; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Five-Membered Zirconacycloallenoids: Synthesis and Characterization of Members of a Unique Class of Internally Metal-Stabilized Bent Allenoid Compounds","Journal of the American Chemical Society","2009","131","","1996","2007","10.1021/ja8084302","","","0.71073","MoKα","","0.0652","0.0453","","","0.1061","0.1163","","","","","","1.028","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103890","10.0841","0.0003","15.819","0.0005","11.5732","0.0004","90","","104.946","0.001","90","","1783.7","0.1","223","2","223","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C34 H33 B F10 Si2 Zr -","- C34 H34 B F10 Si2 Zr -","- C68 H68 B2 F20 Si4 Zr2 -","2","0.5","","Juri Ugolotti; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Five-Membered Zirconacycloallenoids: Synthesis and Characterization of Members of a Unique Class of Internally Metal-Stabilized Bent Allenoid Compounds","Journal of the American Chemical Society","2009","131","","1996","2007","10.1021/ja8084302","","","0.71073","MoKα","","0.0957","0.0557","","","0.1191","0.1356","","","","","","1.019","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103891","11.366","0.01","11.366","0.01","29.309","0.027","90","","90","","120","","3279","5","173","2","173","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C38 H48 F12 Fe4 P2 Si2 -","- C38 H46 F12 Fe4 P2 Si2 -","- C114 H138 F36 Fe12 P6 Si6 -","3","0.5","","Masaaki Okazaki; Masato Takano; Fumiyuki Ozawa","Redox-Responsive Recombination of Carbon-Carbon Bonds on Flexible Tetrairon Cores","Journal of the American Chemical Society","2009","131","","1684","1685","10.1021/ja809540w","","x-ray","0.7107","MoKα","","0.0683","0.0608","","","0.1589","0.1663","","","","","","1.107","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103892","11.7779","0.0002","12.2958","0.0003","15.5196","0.0003","94.926","0.001","102.285","0.001","92.765","0.001","2182.84","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Fe(TpCF3PP)(NO)(1-MeIm)]","","","- C52 H30 F12 Fe N7 O -","- C52 H30 F11.994 Fe N7 O -","- C104 H60 F23.988 Fe2 N14 O2 -","2","1","","Nathan J. Silvernail; Alexander Barabanschikov; J. Timothy Sage; Bruce C. Noll; W. Robert Scheidt","Mapping NO Movements in Crystalline [Fe(Porph)(NO)(1-MeIm)]","Journal of the American Chemical Society","2009","131","","2131","2140","10.1021/ja8055613","","","0.71073","MoKα","","0.0557","0.0366","","","0.0799","0.0913","","","","","","1.068","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103893","12.0195","0.0002","12.5326","0.0002","15.5689","0.0003","95.222","0.001","101.446","0.001","94.253","0.001","2278.81","0.07","290","2","290","2","","","","","","","","6","P -1","-P 1","2","[Fe(TpCF3PP)(NO)(1-MeIm)]","","","- C52 H30 F12 Fe N7 O -","- C52 H30 F12 Fe N7 O -","- C104 H60 F24 Fe2 N14 O2 -","2","1","","Nathan J. Silvernail; Alexander Barabanschikov; J. Timothy Sage; Bruce C. Noll; W. Robert Scheidt","Mapping NO Movements in Crystalline [Fe(Porph)(NO)(1-MeIm)]","Journal of the American Chemical Society","2009","131","","2131","2140","10.1021/ja8055613","","","0.71073","MoKα","","0.0589","0.0484","","","0.1378","0.1501","","","","","","1.052","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103894","12.566","0.016","13.301","0.016","15.773","0.019","65.65","0.04","85.112","0.014","75.519","0.017","2325","5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Fe(TpNO2FP)(NO)(1-MeIm)]","","","- C51.43 H34.85 Cl0.57 Fe N12.62 O8.99 -","- C51.427 H34.854 Cl0.573 Fe N12.618 O8.991 -","- C102.854 H69.708 Cl1.146 Fe2 N25.236 O17.982 -","2","1","","Nathan J. Silvernail; Alexander Barabanschikov; J. Timothy Sage; Bruce C. Noll; W. Robert Scheidt","Mapping NO Movements in Crystalline [Fe(Porph)(NO)(1-MeIm)]","Journal of the American Chemical Society","2009","131","","2131","2140","10.1021/ja8055613","","","0.71073","MoKα","","0.0654","0.0485","","","0.1252","0.1367","","","","","","1.038","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103895","9.6224","0.0002","17.514","0.0004","25.1564","0.0006","90","","90","","90","","4239.53","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Fe(TPP)(NO)(1-MeIm)].CHCl3","","","- C48.88 H34.88 Cl2.64 Fe N7 O -","- C48.8813 H34.8813 Cl2.6439 Fe N7 O -","- C195.525 H139.525 Cl10.5756 Fe4 N28 O4 -","4","1","","Nathan J. Silvernail; Alexander Barabanschikov; J. Timothy Sage; Bruce C. Noll; W. Robert Scheidt","Mapping NO Movements in Crystalline [Fe(Porph)(NO)(1-MeIm)]","Journal of the American Chemical Society","2009","131","","2131","2140","10.1021/ja8055613","","","0.71073","MoKα","","0.0469","0.0384","","","0.0968","0.1019","","","","","","1.032","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103896","9.755","0.0003","17.7199","0.0005","25.3249","0.0007","90","","90","","90","","4377.6","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Fe(TPP)(NO)(1-MeIm)].CHCl3","","","- C48.74 H34.74 Cl2.23 Fe N7 O0.99 -","- C48.742 H34.742 Cl2.226 Fe N7 O0.991 -","- C194.968 H138.968 Cl8.904 Fe4 N28 O3.964 -","4","1","","Nathan J. Silvernail; Alexander Barabanschikov; J. Timothy Sage; Bruce C. Noll; W. Robert Scheidt","Mapping NO Movements in Crystalline [Fe(Porph)(NO)(1-MeIm)]","Journal of the American Chemical Society","2009","131","","2131","2140","10.1021/ja8055613","","","0.71073","MoKα","","0.0739","0.0564","","","0.1702","0.1897","","","","","","1.059","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103897","9.142","0.004","6.37","0.003","5.889","0.003","90","","90","","90","","342.9","0.3","143","2","143","2","","","","","","","","3","I m a 2","I 2 -2a","46","","ammonia acetylene cocrystal","","- C2 H5 N -","- C2 H5.02 N -","- C8 H20.08 N4 -","4","0.5","","Roland Boese; Dieter Bläser; Georg Jansen","Synthesis and Theoretical Characterization of an Acetylene-Ammonia Cocrystal","Journal of the American Chemical Society","2009","131","","2104","2106","10.1021/ja8059705","","","0.71073","MoKα","","0.052","0.0461","","","0.0929","0.0973","","","","","","1.29","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103898","9.142","0.004","6.37","0.003","5.889","0.003","90","","90","","90","","342.9","0.3","293","2","293","2","","","","","","","","3","I m a 2","I 2 -2a","46","","ammonia acetylene cocrystal","","- C2 H5 N -","- C2 H5.02 N -","- C8 H20.08 N4 -","4","0.5","","Roland Boese; Dieter Bläser; Georg Jansen","Synthesis and Theoretical Characterization of an Acetylene-Ammonia Cocrystal","Journal of the American Chemical Society","2009","131","","2104","2106","10.1021/ja8059705","","","0.71073","MoKα","","0.0597","0.054","","","0.1361","0.1452","","","","","","0.925","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103899","18.513","0.001","18.513","0.001","45.354","0.005","90","","90","","120","","13461.7","1.8","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C35 H43 Cu2 N3 O16 -","- C26 H8 Cu2 O10 -","- C234 H72 Cu18 O90 -","9","0.25","","Xiang Lin; Irvin Telepeni; Alexander J. Blake; Anne Dailly; Craig M. Brown; Jason M. Simmons; Marco Zoppi; Gavin S. Walker; K. Mark Thomas; Timothy J. Mays; Peter Hubberstey; Neil R. Champness; Martin Schröder","High Capacity Hydrogen Adsorption in Cu(II) Tetracarboxylate Framework Materials: The Role of Pore Size, Ligand Functionalization, and Exposed Metal Sites","Journal of the American Chemical Society","2009","131","","2159","2171","10.1021/ja806624j","","","0.71073","MoKα","","0.161","0.113","","","0.312","0.336","","","","","","0.99","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103900","18.348","0.001","18.348","0.001","65.094","0.002","90","","90","","120","","18977.9","1.6","100","2","100","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C74 H70 Cu4 N2 O28 -","- C66 H12 Cu4 O20 -","- C594 H108 Cu36 O180 -","9","0.25","","Xiang Lin; Irvin Telepeni; Alexander J. Blake; Anne Dailly; Craig M. Brown; Jason M. Simmons; Marco Zoppi; Gavin S. Walker; K. Mark Thomas; Timothy J. Mays; Peter Hubberstey; Neil R. Champness; Martin Schröder","High Capacity Hydrogen Adsorption in Cu(II) Tetracarboxylate Framework Materials: The Role of Pore Size, Ligand Functionalization, and Exposed Metal Sites","Journal of the American Chemical Society","2009","131","","2159","2171","10.1021/ja806624j","","","0.6907","Synchrotron","","0.196","0.132","","","0.372","0.402","","","","","","1.23","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103901","18.5944","0.0019","18.5944","0.0019","38.671","0.004","90","","90","","120","","11579","2","150","2","150","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C32 H42 Cu2 F2 N2 O18 -","- C22 H8 Cu2 F2 O10 -","- C198 H72 Cu18 F18 O90 -","9","0.25","","Xiang Lin; Irvin Telepeni; Alexander J. Blake; Anne Dailly; Craig M. Brown; Jason M. Simmons; Marco Zoppi; Gavin S. Walker; K. Mark Thomas; Timothy J. Mays; Peter Hubberstey; Neil R. Champness; Martin Schröder","High Capacity Hydrogen Adsorption in Cu(II) Tetracarboxylate Framework Materials: The Role of Pore Size, Ligand Functionalization, and Exposed Metal Sites","Journal of the American Chemical Society","2009","131","","2159","2171","10.1021/ja806624j","","","0.71073","MoKα","","0.0456","0.0368","","","0.0897","0.0917","","","","","","0.912","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103902","18.504","0.002","18.504","0.002","39.035","0.005","90","","90","","120","","11575","2","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C24.75 H21.75 Cu2 N0.25 O11.25 -","- C24 H14 Cu2 O10 -","- C216 H126 Cu18 O90 -","9","0.25","","Xiang Lin; Irvin Telepeni; Alexander J. Blake; Anne Dailly; Craig M. Brown; Jason M. Simmons; Marco Zoppi; Gavin S. Walker; K. Mark Thomas; Timothy J. Mays; Peter Hubberstey; Neil R. Champness; Martin Schröder","High Capacity Hydrogen Adsorption in Cu(II) Tetracarboxylate Framework Materials: The Role of Pore Size, Ligand Functionalization, and Exposed Metal Sites","Journal of the American Chemical Society","2009","131","","2159","2171","10.1021/ja806624j","","","0.7848","Synchrotron","","0.0963","0.0651","","","0.185","0.196","","","","","","0.98","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103903","18.525","0.001","18.525","0.001","38.83","0.002","90","","90","","120","","11540.2","1.1","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C25 H19 Cu2 F4 N O12 -","- C22 H6 Cu2 F4 O10 -","- C198 H54 Cu18 F36 O90 -","9","0.25","","Xiang Lin; Irvin Telepeni; Alexander J. Blake; Anne Dailly; Craig M. Brown; Jason M. Simmons; Marco Zoppi; Gavin S. Walker; K. Mark Thomas; Timothy J. Mays; Peter Hubberstey; Neil R. Champness; Martin Schröder","High Capacity Hydrogen Adsorption in Cu(II) Tetracarboxylate Framework Materials: The Role of Pore Size, Ligand Functionalization, and Exposed Metal Sites","Journal of the American Chemical Society","2009","131","","2159","2171","10.1021/ja806624j","","","0.6907","Synchrotron","","0.0725","0.0589","","","0.164","0.172","","","","","","1.04","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103904","18.852","0.003","18.852","0.003","27.417","0.006","90","","90","","90","","9744","3","150","2","150","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C44 H66 Cu2 N6 O20 -","- C26 H6 Cu2 O10.28 -","- C208 H48 Cu16 O82.24 -","8","0.25","","Xiang Lin; Irvin Telepeni; Alexander J. Blake; Anne Dailly; Craig M. Brown; Jason M. Simmons; Marco Zoppi; Gavin S. Walker; K. Mark Thomas; Timothy J. Mays; Peter Hubberstey; Neil R. Champness; Martin Schröder","High Capacity Hydrogen Adsorption in Cu(II) Tetracarboxylate Framework Materials: The Role of Pore Size, Ligand Functionalization, and Exposed Metal Sites","Journal of the American Chemical Society","2009","131","","2159","2171","10.1021/ja806624j","","","0.864","synchrotronradiation","","0.0821","0.0676","","","0.181","0.192","","","","","","1.04","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103905","8.7902","0.0001","45.7088","0.0006","7.6051","0.0001","90","","90","","90","","3055.65","0.07","223.1","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H25 Cl3 N2 O -","- C38 H25 Cl3 N2 O -","- C152 H100 Cl12 N8 O4 -","4","1","","Ken Albrecht; Kimihisa Yamamoto","Dendritic Structure Having a Potential Gradient: New Synthesis and Properties of Carbazole Dendrimers","Journal of the American Chemical Society","2009","131","","2244","2251","10.1021/ja807312e","","","1.54187","CuKα","","","0.037","","","","0.0346","","","","","","0.918","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103906","8.1267","0.0019","12.837","0.003","9.775","0.003","90","","99.493","0.012","90","","1005.8","0.5","223.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H21 Fe N -","- C28 H21 Fe N -","- C56 H42 Fe2 N2 -","2","1","","Ken Albrecht; Kimihisa Yamamoto","Dendritic Structure Having a Potential Gradient: New Synthesis and Properties of Carbazole Dendrimers","Journal of the American Chemical Society","2009","131","","2244","2251","10.1021/ja807312e","","","0.71075","MoKα","","","0.0268","","","","0.072","","","","","","0.617","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103907","14.0077","0.0017","17.5798","0.0018","18.722","0.002","76.256","0.006","74.551","0.007","74.555","0.006","4213.8","0.8","223.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C109 H52 N6 O -","- C109 H52 N6 O -","- C218 H104 N12 O2 -","2","1","","Ken Albrecht; Kimihisa Yamamoto","Dendritic Structure Having a Potential Gradient: New Synthesis and Properties of Carbazole Dendrimers","Journal of the American Chemical Society","2009","131","","2244","2251","10.1021/ja807312e","","","1.54187","CuKα","","","0.0973","","","","0.2966","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103908","10.8911","0.0007","34.7331","0.0018","11.3866","0.0007","90","","108.577","0.0015","90","","4082.9","0.4","103.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C52 H35 Cl3 Fe N3 -","- C53 H36 Cl3 Fe N3 -","- C212 H144 Cl12 Fe4 N12 -","4","1","","Ken Albrecht; Kimihisa Yamamoto","Dendritic Structure Having a Potential Gradient: New Synthesis and Properties of Carbazole Dendrimers","Journal of the American Chemical Society","2009","131","","2244","2251","10.1021/ja807312e","","","0.71075","MoKα","","","0.0556","","","","0.1389","","","","","","0.882","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103909","11.135","0.0008","6.5575","0.0004","4.9194","0.0003","90","","90","","90","","359.2","0.04","150","","150","","","","","","","","Christina Tang & Tony Downs","4","P n m a","-P 2ac 2n","62","","","","- C H8 B N -","- C H8 B N -","- C4 H32 B4 N4 -","4","0.5","","Simon Aldridge; Anthony J. Downs; Christina Y. Tang; Simon Parsons; Michael C. Clarke; Russell D. L. Johnstone; Heather E. Robertson; David W. H. Rankin; Derek A. Wann","Structures and Aggregation of the Methylamine-Borane Molecules, MenH3-nN.BH3 (n= 1-3), Studied by X-ray Diffraction, Gas-Phase Electron Diffraction, and Quantum Chemical Calculations","Journal of the American Chemical Society","2009","131","","2231","2243","10.1021/ja807545p","","","0.71073","MoKα","","0.052","0.0381","","0.1054","0.0964","0.1054","","","","","","1.0019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103910","7.0452","0.0006","5.8368","0.0005","12.2335","0.0014","90","","104.648","0.004","90","","486.71","0.08","150","","150","","","","","","","","Tony Downs & Christina Tang","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H10 B N -","- C2 H10 B N -","- C8 H40 B4 N4 -","4","1","","Simon Aldridge; Anthony J. Downs; Christina Y. Tang; Simon Parsons; Michael C. Clarke; Russell D. L. Johnstone; Heather E. Robertson; David W. H. Rankin; Derek A. Wann","Structures and Aggregation of the Methylamine-Borane Molecules, MenH3-nN.BH3 (n= 1-3), Studied by X-ray Diffraction, Gas-Phase Electron Diffraction, and Quantum Chemical Calculations","Journal of the American Chemical Society","2009","131","","2231","2243","10.1021/ja807545p","","","0.71073","MoKα","","0.0549","0.0416","","0.112","0.1021","0.112","","","","","","1.0032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103911","9.0792","0.0005","9.0792","0.0005","5.8922","0.0005","90","","90","","120","","420.63","0.05","150","","150","","","","","","","","Christina Tang, Oxford.","4","R 3 m :H","R 3 -2""","160","","","","- C3 H12 B N -","- C3 H12 B N -","- C9 H36 B3 N3 -","3","0.166667","","Simon Aldridge; Anthony J. Downs; Christina Y. Tang; Simon Parsons; Michael C. Clarke; Russell D. L. Johnstone; Heather E. Robertson; David W. H. Rankin; Derek A. Wann","Structures and Aggregation of the Methylamine-Borane Molecules, MenH3-nN.BH3 (n= 1-3), Studied by X-ray Diffraction, Gas-Phase Electron Diffraction, and Quantum Chemical Calculations","Journal of the American Chemical Society","2009","131","","2231","2243","10.1021/ja807545p","","","0.71073","MoKα","","0.0286","0.0283","","0.0738","0.0734","0.0738","","","","","","1.0092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103912","7.6417","0.0004","10.3281","0.0006","18.8545","0.0011","90","","92.941","0.002","90","","1486.12","0.15","296","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cs6 Ge4 H8 O24 U3 -","- Cs6 Ge4 O24 U3 -","- Cs12 Ge8 O48 U6 -","2","0.5","","Chia-Hui Lin; Ray-Kuang Chiang; Kwang-Hwa Lii","Synthesis of Thermally Stable Extra-Large Pore Crystalline Materials: A Uranyl Germanate with 12-Ring Channels","Journal of the American Chemical Society","2009","131","","2068","2069","10.1021/ja8084143","","","0.71073","MoKα","","0.0232","0.0197","","","0.04","0.041","","","","","","1.063","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103913","12.722","0.0015","13.0859","0.0015","14.9523","0.0017","90","","90","","90","","2489.2","0.5","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 O3 -","- C11 H20 O3 -","- C88 H160 O24 -","8","2","","Amos B. Smith III; Todd Bosanac; Kallol Basu","Evolution of the Total Synthesis of (-)-Okilactomycin Exploiting a Tandem Oxy-Cope Rearrangement/Oxidation, a Petasis-Ferrier Union/Rearrangement, and Ring-Closing Metathesis","Journal of the American Chemical Society","2009","131","","2348","2358","10.1021/ja8084669","","","0.71069","MoKα","","0.0552","0.0472","","","0.1189","0.1268","","","","","","1.044","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103914","10.291","0.012","7.147","0.005","14.561","0.012","90","","108.581","0.009","90","","1015.1","1.6","143","1","143","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O4 -","- C22 H34 O4 -","- C44 H68 O8 -","2","1","","Amos B. Smith III; Todd Bosanac; Kallol Basu","Evolution of the Total Synthesis of (-)-Okilactomycin Exploiting a Tandem Oxy-Cope Rearrangement/Oxidation, a Petasis-Ferrier Union/Rearrangement, and Ring-Closing Metathesis","Journal of the American Chemical Society","2009","131","","2348","2358","10.1021/ja8084669","","","0.71069","MoKα","","0.0361","0.0338","","","0.0851","0.0876","","","","","","1.067","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103915","10.8093","0.0009","11.143","0.001","20.0215","0.0019","90","","90","","90","","2411.6","0.4","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H37 I O4 -","- C24 H37 I O4 -","- C96 H148 I4 O16 -","4","1","","Amos B. Smith III; Todd Bosanac; Kallol Basu","Evolution of the Total Synthesis of (-)-Okilactomycin Exploiting a Tandem Oxy-Cope Rearrangement/Oxidation, a Petasis-Ferrier Union/Rearrangement, and Ring-Closing Metathesis","Journal of the American Chemical Society","2009","131","","2348","2358","10.1021/ja8084669","","","0.71069","MoKα","","0.0359","0.0332","","","0.0746","0.0778","","","","","","1.063","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103916","7.4743","0.0005","14.7529","0.0007","7.7424","0.0004","90","","90","","90","","853.74","0.08","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd5 Si4 -","- Gd5 Si4 -","- Gd20 Si16 -","4","0.5","","Volodymyr Svitlyk; Gordon J. Miller; Yurij Mozharivskyj","Gd5Si4-xPx: Targeted Structural Changes through Increase in Valence Electron Count","Journal of the American Chemical Society","2009","131","","2367","2374","10.1021/ja8085033","","","0.71073","MoKα","","0.0419","0.0344","","","0.0749","0.0774","","","","","","1.089","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103917","7.6067","0.0017","14.645","0.003","7.6843","0.0016","90","","90","","90","","856","0.3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd5 P1.25 Si2.75 -","- Gd5 P1.24 Si2.76 -","- Gd20 P4.96 Si11.04 -","4","0.5","","Volodymyr Svitlyk; Gordon J. Miller; Yurij Mozharivskyj","Gd5Si4-xPx: Targeted Structural Changes through Increase in Valence Electron Count","Journal of the American Chemical Society","2009","131","","2367","2374","10.1021/ja8085033","","","0.71073","MoKα","","0.0824","0.0754","","","0.1655","0.1688","","","","","","1.11","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103918","12.03","0.005","17.467","0.005","17.5333","0.0014","90","","107.689","0.011","90","","3510","1.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Li2 O6 Zn -","- C36 H44 Li2 O6 Zn -","- C144 H176 Li8 O24 Zn4 -","4","1","","William Clegg; Ben Conway; Eva Hevia; Matthew D. McCall; Luca Russo; Robert E. Mulvey","Closer Insight into the Reactivity of TMP-Dialkyl Zincates in Directed ortho-Zincation of Anisole: Experimental Evidence of Amido Basicity and Structural Elucidation of Key Reaction Intermediates","Journal of the American Chemical Society","2009","131","","2375","2384","10.1021/ja8087168","","","0.71073","MoKα","","0.1093","0.0483","","","0.0832","0.1007","","","","","","1.04","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103919","8.3053","0.0003","13.0406","0.0003","16.4544","0.0005","90","","90","","90","","1782.11","0.09","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H29 Li N2 O Zn -","- C15 H29 Li N2 O Zn -","- C60 H116 Li4 N8 O4 Zn4 -","4","1","","William Clegg; Ben Conway; Eva Hevia; Matthew D. McCall; Luca Russo; Robert E. Mulvey","Closer Insight into the Reactivity of TMP-Dialkyl Zincates in Directed ortho-Zincation of Anisole: Experimental Evidence of Amido Basicity and Structural Elucidation of Key Reaction Intermediates","Journal of the American Chemical Society","2009","131","","2375","2384","10.1021/ja8087168","","","0.71073","MoKα","","0.0411","0.0288","","","0.0406","0.0425","","","","","","0.887","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103920","12.0463","0.0003","14.9178","0.0005","15.5281","0.0004","90","","90","","90","","2790.47","0.14","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H48 Li N3 O Zn -","- C24 H48 Li N3 O Zn -","- C96 H192 Li4 N12 O4 Zn4 -","4","1","","William Clegg; Ben Conway; Eva Hevia; Matthew D. McCall; Luca Russo; Robert E. Mulvey","Closer Insight into the Reactivity of TMP-Dialkyl Zincates in Directed ortho-Zincation of Anisole: Experimental Evidence of Amido Basicity and Structural Elucidation of Key Reaction Intermediates","Journal of the American Chemical Society","2009","131","","2375","2384","10.1021/ja8087168","","","0.71073","MoKα","","0.0619","0.0375","","","0.0748","0.0782","","","","","","0.933","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103921","11.2443","0.0002","10.0849","0.0002","21.2607","0.0004","90","","90","","90","","2410.91","0.08","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N2 O2 S2 -","- C12 H10 N2 O2 S2 -","- C96 H80 N16 O16 S16 -","8","1","","Takashi Hirano; Yosuke Hasumi; Kazuhiro Ohtsuka; Shojiro Maki; Haruki Niwa; Minoru Yamaji; Daisuke Hashizume","Spectroscopic Studies of the Light-Color Modulation Mechanism of Firefly (Beetle) Bioluminescence","Journal of the American Chemical Society","2009","131","","2385","2396","10.1021/ja808836b","","","0.71073","MoKα","","0.0458","0.0317","","","0.0753","0.0812","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103922","6.8862","0.0014","12.4986","0.0017","16.205","0.003","101.436","0.006","101.429","0.008","96.34","0.013","1323.6","0.4","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 N2 O2 S2 -","- C13 H12 N2 O2 S2 -","- C52 H48 N8 O8 S8 -","4","2","","Takashi Hirano; Yosuke Hasumi; Kazuhiro Ohtsuka; Shojiro Maki; Haruki Niwa; Minoru Yamaji; Daisuke Hashizume","Spectroscopic Studies of the Light-Color Modulation Mechanism of Firefly (Beetle) Bioluminescence","Journal of the American Chemical Society","2009","131","","2385","2396","10.1021/ja808836b","","","0.71073","MoKα","","0.1011","0.0586","","","0.1511","0.176","","","","","","1.021","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103923","56.082","0.003","13.3274","0.0008","21.6153","0.0012","90","","110.135","0.002","90","","15168.5","1.5","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C83 H88 N6 O3 Ti2 -","- C83 H88 N6 O3 Ti2 -","- C664 H704 N48 O24 Ti16 -","8","2","","Jason A. Bexrud; Patrick Eisenberger; David C. Leitch; Philippa R. Payne; Laurel L. Schafer","Selective C-H Activation α to Primary Amines. Bridging Metallaaziridines for Catalytic, Intramolecular α-Alkylation","Journal of the American Chemical Society","2009","131","","2116","2118","10.1021/ja808862w","","","0.71073","MoKα","","0.0498","0.0409","","","0.109","0.1154","","","","","","1.019","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103924","12.8333","0.0006","9.9404","0.0005","34.8473","0.0015","90","","90","","90","","4445.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H31 N O S -","- C26 H28 N O2 S -","- C208 H224 N8 O16 S8 -","8","1","","Jason A. Bexrud; Patrick Eisenberger; David C. Leitch; Philippa R. Payne; Laurel L. Schafer","Selective C-H Activation α to Primary Amines. Bridging Metallaaziridines for Catalytic, Intramolecular α-Alkylation","Journal of the American Chemical Society","2009","131","","2116","2118","10.1021/ja808862w","","","0.71073","MoKα","","0.0711","0.0493","","","0.1208","0.1333","","","","","","1.044","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103925","7.5843","0.0008","9.7333","0.0011","11.8584","0.0013","88.595","0.003","83.254","0.003","68.29","0.003","807.5","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 N O2 S -","- C18 H20 N O2 S -","- C36 H40 N2 O4 S2 -","2","1","","Jason A. Bexrud; Patrick Eisenberger; David C. Leitch; Philippa R. Payne; Laurel L. Schafer","Selective C-H Activation α to Primary Amines. Bridging Metallaaziridines for Catalytic, Intramolecular α-Alkylation","Journal of the American Chemical Society","2009","131","","2116","2118","10.1021/ja808862w","","","0.71073","MoKα","","0.0541","0.0491","","","0.1353","0.1417","","","","","","0.563","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103926","9.636","0.002","11.622","0.003","15.13","0.004","90","","90","","90","","1694.4","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O -","- C20 H24 N O -","- C80 H96 N4 O4 -","4","1","","Jason A. Bexrud; Patrick Eisenberger; David C. Leitch; Philippa R. Payne; Laurel L. Schafer","Selective C-H Activation α to Primary Amines. Bridging Metallaaziridines for Catalytic, Intramolecular α-Alkylation","Journal of the American Chemical Society","2009","131","","2116","2118","10.1021/ja808862w","","","0.71073","MoKα","","0.0987","0.0717","","","0.1923","0.2197","","","","","","1.04","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103927","13.297","0.003","13.818","0.003","18.023","0.003","93.172","0.003","101.882","0.003","91.269","0.003","3233.7","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H87 B Cl2 N2 O Os P2 -","- C71 H87 B Cl2 N2 O Os P2 -","- C142 H174 B2 Cl4 N4 O2 Os2 P4 -","2","1","","Tamara Bolaño; Ricardo Castarlenas; Miguel A. Esteruelas; Enrique Oñate","Nazarov Type Cyclization on an Osmium-Dienylcarbene Complex","Journal of the American Chemical Society","2009","131","","2064","2065","10.1021/ja8093058","","","0.71073","MoKα","","0.0781","0.0611","","","0.1301","0.1382","","","","","","1.07","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103928","15.252","0.003","23.471","0.004","18.257","0.004","90","","91.508","0.004","90","","6533","2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H81 B30 Cl Li N3 Ni3 O6 -","- C39 H81 B30 Cl Li N3 Ni3 O6 -","- C156 H324 B120 Cl4 Li4 N12 Ni12 O24 -","4","1","","Zaozao Qiu; Zuowei Xie","Nickel-Mediated Three-Component Cycloaddition Reaction of Carboryne, Alkenes, and Alkynes","Journal of the American Chemical Society","2009","131","","2084","2085","10.1021/ja809389k","","","0.71073","MoKα","","0.1738","0.062","","","0.1457","0.2124","","","","","","1.01","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103929","21.807","0.004","10.773","0.002","24.597","0.005","90","","108.214","0.005","90","","5489","1.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 B10 O2 -","- C6 H18 B10 O2 -","- C96 H288 B160 O32 -","16","4","","Zaozao Qiu; Zuowei Xie","Nickel-Mediated Three-Component Cycloaddition Reaction of Carboryne, Alkenes, and Alkynes","Journal of the American Chemical Society","2009","131","","2084","2085","10.1021/ja809389k","","","0.71073","MoKα","","0.1893","0.0761","","","0.2165","0.3028","","","","","","1.079","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103930","12.961","0.002","7.0537","0.0011","23.025","0.003","90","","98.982","0.002","90","","2079.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 B10 N -","- C18 H25 B10 N -","- C72 H100 B40 N4 -","4","1","","Zaozao Qiu; Zuowei Xie","Nickel-Mediated Three-Component Cycloaddition Reaction of Carboryne, Alkenes, and Alkynes","Journal of the American Chemical Society","2009","131","","2084","2085","10.1021/ja809389k","","","0.71073","MoKα","","0.0843","0.0574","","","0.1583","0.182","","","","","","1.023","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103931","10.4119","0.0012","14.9521","0.0017","12.0963","0.0013","90","","102.436","0.002","90","","1839","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H26 B10 O2 -","- C12 H26 B10 O2 -","- C48 H104 B40 O8 -","4","2","","Zaozao Qiu; Zuowei Xie","Nickel-Mediated Three-Component Cycloaddition Reaction of Carboryne, Alkenes, and Alkynes","Journal of the American Chemical Society","2009","131","","2084","2085","10.1021/ja809389k","","","0.71073","MoKα","","0.1184","0.059","","","0.122","0.1513","","","","","","1.005","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103932","5.0792","0.001","15.951","0.003","24.316","0.005","90","","90","","90","","1970","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br N O4 -","- C20 H21 Br N O4 -","- C80 H84 Br4 N4 O16 -","4","1","","K. C. Nicolaou; Rüdiger Reingruber; David Sarlah; Stefan Bräse","Enantioselective Intramolecular Friedel-Crafts-Type α-Arylation of Aldehydes","Journal of the American Chemical Society","2009","131","","2086","2087","10.1021/ja809405c","","","0.71073","MoKα","","0.1216","0.0708","","","0.1815","0.2168","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103933","11.3854","0.0012","10.5567","0.0012","28.68","0.003","90","","99.251","0.003","90","","3402.3","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C168 H176 O16 -","8","2","","Yu-Chia Hsu; Chun-Ming Ting; Rai-Shung Liu","Stereocontrolled Synthesis of Complicated Oxacyclic Compounds via Platinum-Catalyzed [4 + 2]-Cycloadditions and Annulations of Enynals with Allylic Alcohols","Journal of the American Chemical Society","2009","131","","2090","2091","10.1021/ja809560c","","","0.71073","MoKα","","0.3033","0.0771","","","0.1922","0.3393","","","","","","0.915","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103934","6.1427","0.0002","12.2134","0.0006","27.1155","0.0011","90","","90","","90","","2034.29","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O3 -","- C24 H32 O3 -","- C96 H128 O12 -","4","1","","Yu-Chia Hsu; Chun-Ming Ting; Rai-Shung Liu","Stereocontrolled Synthesis of Complicated Oxacyclic Compounds via Platinum-Catalyzed [4 + 2]-Cycloadditions and Annulations of Enynals with Allylic Alcohols","Journal of the American Chemical Society","2009","131","","2090","2091","10.1021/ja809560c","","","0.71073","MoKα","","0.1023","0.0876","","","0.2395","0.2544","","","","","","1.045","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103935","7.69821","0.00019","5.8403","0.00015","24.5825","0.0006","90","","96.3116","0.0013","90","","1098.53","0.05","296.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O -","- C14 H11 N O -","- C56 H44 N4 O4 -","4","1","","Shinji Yamada; Yoko Tokugawa","Cation-π Controlled Solid-State Photodimerization of 4-Azachalcones","Journal of the American Chemical Society","2009","131","","2098","2099","10.1021/ja809906c","","","1.54187","CuKα","","","0.043","","","","0.1038","","","","","","0.964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103936","22.3925","0.0007","6.04763","0.00018","18.9197","0.0006","90","","94.0378","0.0016","90","","2555.78","0.14","296.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cl N O2 -","- C14 H12 Cl N O1.5 -","- C112 H96 Cl8 N8 O12 -","8","1","","Shinji Yamada; Yoko Tokugawa","Cation-π Controlled Solid-State Photodimerization of 4-Azachalcones","Journal of the American Chemical Society","2009","131","","2098","2099","10.1021/ja809906c","","","1.54187","CuKα","","","0.0459","","","","0.1405","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103937","3.85739","0.0001","17.2367","0.0004","19.274","0.0005","112.901","0.0015","95.7517","0.0018","96.409","0.0018","1158.58","0.05","123.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","2","","Shinji Yamada; Yoko Tokugawa","Cation-π Controlled Solid-State Photodimerization of 4-Azachalcones","Journal of the American Chemical Society","2009","131","","2098","2099","10.1021/ja809906c","","","1.54187","CuKα","","","0.0601","","","","0.1743","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103938","7.1308","0.0003","14.4771","0.0006","13.2057","0.0005","90","","101.889","0.002","90","","1334.02","0.09","298.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Cl N O2 -","- C15 H14 Cl N O2 -","- C60 H56 Cl4 N4 O8 -","4","1","","Shinji Yamada; Yoko Tokugawa","Cation-π Controlled Solid-State Photodimerization of 4-Azachalcones","Journal of the American Chemical Society","2009","131","","2098","2099","10.1021/ja809906c","","","1.54187","CuKα","","","0.0609","","","","0.191","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103939","6.82677","0.00016","10.9063","0.0002","14.7427","0.0003","90","","97.9763","0.0014","90","","1087.05","0.04","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H22 N2 O2 -","- C28 H22 N2 O2 -","- C56 H44 N4 O4 -","2","1","","Shinji Yamada; Yoko Tokugawa","Cation-π Controlled Solid-State Photodimerization of 4-Azachalcones","Journal of the American Chemical Society","2009","131","","2098","2099","10.1021/ja809906c","","","1.54187","CuKα","","","0.0378","","","","0.1185","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103940","9.0768","0.0002","11.4769","0.0003","13.8031","0.0003","111.847","0.0013","110.515","0.0012","92.9062","0.0012","1222.58","0.05","298.1","","","","","","","","","","","4","P 1","P 1","1","","","","- C30 H26 N2 O4 -","- C30 H26 N2 O4 -","- C60 H52 N4 O8 -","2","2","","Shinji Yamada; Yoko Tokugawa","Cation-π Controlled Solid-State Photodimerization of 4-Azachalcones","Journal of the American Chemical Society","2009","131","","2098","2099","10.1021/ja809906c","","","1.54187","CuKα","","","0.0419","","","","0.1311","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103941","18.7195","0.0001","8.7594","0.0001","18.3245","0.0001","90","","100.125","0.001","90","","2957.9","0.04","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H14 Br N O -","- C18 H14 Br N O -","- C144 H112 Br8 N8 O8 -","8","2","","José Barluenga; Eva Tudela; Alfredo Ballesteros; Miguel Tomás","Asymmetric C2-C3 Cyclopentannulation of the Indole Ring","Journal of the American Chemical Society","2009","131","","2096","2097","10.1021/ja809919t","","","1.54184","CuKα","","0.0252","0.0225","","","0.0549","0.0677","","","","","","1.154","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103942","7.2867","0.0001","10.3536","0.0002","19.1306","0.0003","90","","90","","90","","1443.28","0.04","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 I N O -","- C14 H24 I N O -","- C56 H96 I4 N4 O4 -","4","1","","José Barluenga; Eva Tudela; Alfredo Ballesteros; Miguel Tomás","Asymmetric C2-C3 Cyclopentannulation of the Indole Ring","Journal of the American Chemical Society","2009","131","","2096","2097","10.1021/ja809919t","","","1.54184","CuKα","","0.0364","0.0348","","","0.0967","0.113","","","","","","1.148","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103943","7.5357","0.0002","13.7783","0.0006","28.0807","0.0008","90","","90","","90","","2915.59","0.17","293","2","293","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- Bi Cs5 P4 Se12 -","- Bi Cs5 P4 Se12 -","- Bi4 Cs20 P16 Se48 -","4","1","","In Chung; Jung-Hwan Song; Joon I. Jang; Arthur J. Freeman; John B. Ketterson; Mercouri G. Kanatzidis","Flexible Polar Nanowires of Cs5BiP4Se12 from Weak Interactions between Coordination Complexes: Strong Nonlinear Optical Second Harmonic Generation","Journal of the American Chemical Society","2009","131","","2647","2656","10.1021/ja808242g","","","0.71073","MoKα","","0.079","0.0626","","","0.1151","0.1207","","","","","","1.077","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103944","18.7736","0.0013","10.6759","0.0007","26.9091","0.0019","90","","109.621","0.001","90","","5080.1","0.6","105","2","105","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 Fe O4 Si2 -","- C24 H34 Fe O4 Si2 -","- C192 H272 Fe8 O32 Si16 -","8","1","","Charles P. Casey; Hairong Guan","Cyclopentadienone Iron Alcohol Complexes: Synthesis, Reactivity, and Implications for the Mechanism of Iron-Catalyzed Hydrogenation of Aldehydes","Journal of the American Chemical Society","2009","131","","2499","2507","10.1021/ja808683z","","","0.71073","Mo-Kα","","0.0387","0.0308","","","0.0804","0.0857","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103945","17.7905","0.001","17.7905","0.001","15.6247","0.0017","90","","90","","120","","4282.7","0.6","155","2","155","2","","","","","","","","5","P -3","-P 3","147","","","","- C26 H48 La N Si2 -","- C26 H48 La N Si2 -","- C156 H288 La6 N6 Si12 -","6","1","","William J. Evans; Thomas J. Mueller; Joseph W. Ziller","Reactivity of (C5Me5)3LaLx Complexes: Synthesis of a Tris(pentamethylcyclopentadienyl) Complex with Two Additional Ligands, (C5Me5)3La(NCCMe3)2","Journal of the American Chemical Society","2009","131","","2678","2686","10.1021/ja808763y","","","0.71073","MoKα","","0.034","0.0289","","","0.0718","0.0763","","","","","","1.098","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103946","13.4632","0.0017","41.393","0.005","14.2084","0.0017","90","","96.432","0.002","90","","7868.2","1.7","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H96 B La O2 P2 -","- C94 H88 B La O2 P2 -","- C376 H352 B4 La4 O8 P8 -","4","0.5","","William J. Evans; Thomas J. Mueller; Joseph W. Ziller","Reactivity of (C5Me5)3LaLx Complexes: Synthesis of a Tris(pentamethylcyclopentadienyl) Complex with Two Additional Ligands, (C5Me5)3La(NCCMe3)2","Journal of the American Chemical Society","2009","131","","2678","2686","10.1021/ja808763y","","","0.71073","MoKα","","0.0644","0.0405","","","0.0866","0.0968","","","","","","1.048","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103947","19.1633","0.0006","17.5365","0.0005","12.9886","0.0004","90","","101.86","0.001","90","","4271.7","0.2","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H69 La N2 -","- C46 H69 La N2 -","- C184 H276 La4 N8 -","4","1","","William J. Evans; Thomas J. Mueller; Joseph W. Ziller","Reactivity of (C5Me5)3LaLx Complexes: Synthesis of a Tris(pentamethylcyclopentadienyl) Complex with Two Additional Ligands, (C5Me5)3La(NCCMe3)2","Journal of the American Chemical Society","2009","131","","2678","2686","10.1021/ja808763y","","","0.71073","MoKα","","0.0257","0.02","","","0.0484","0.0527","","","","","","1.072","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103948","9.9376","0.0006","11.339","0.0007","14.4297","0.0009","74.182","0.001","83.38","0.001","70.704","0.001","1475.95","0.16","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H45 La S2 -","- C31 H45 La S2 -","- C62 H90 La2 S4 -","2","1","","William J. Evans; Thomas J. Mueller; Joseph W. Ziller","Reactivity of (C5Me5)3LaLx Complexes: Synthesis of a Tris(pentamethylcyclopentadienyl) Complex with Two Additional Ligands, (C5Me5)3La(NCCMe3)2","Journal of the American Chemical Society","2009","131","","2678","2686","10.1021/ja808763y","","","0.71073","MoKα","","0.0328","0.0298","","","0.0739","0.0756","","","","","","1.045","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103949","13.2291","0.0008","14.6728","0.0009","15.5581","0.001","76.555","0.001","76.062","0.001","63.486","0.001","2595.5","0.3","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H83 La N6 -","- C57 H83 La N6 -","- C114 H166 La2 N12 -","2","1","","William J. Evans; Thomas J. Mueller; Joseph W. Ziller","Reactivity of (C5Me5)3LaLx Complexes: Synthesis of a Tris(pentamethylcyclopentadienyl) Complex with Two Additional Ligands, (C5Me5)3La(NCCMe3)2","Journal of the American Chemical Society","2009","131","","2678","2686","10.1021/ja808763y","","","0.71073","MoKα","","0.039","0.0315","","","0.0794","0.0843","","","","","","1.044","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103950","12.0956","0.0019","12.0752","0.0019","31.142","0.005","90","","91.606","0.002","90","","4546.7","1.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H60 La O P S2 -","- C49 H60 La O P S2 -","- C196 H240 La4 O4 P4 S8 -","4","1","","William J. Evans; Thomas J. Mueller; Joseph W. Ziller","Reactivity of (C5Me5)3LaLx Complexes: Synthesis of a Tris(pentamethylcyclopentadienyl) Complex with Two Additional Ligands, (C5Me5)3La(NCCMe3)2","Journal of the American Chemical Society","2009","131","","2678","2686","10.1021/ja808763y","","","0.71073","MoKα","","0.0684","0.0503","","","0.1167","0.1243","","","","","","1.049","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103951","50.3695","0.0007","50.3695","0.0007","48.0517","0.0006","90","","90","","90","","121911","3","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C296 H362 N24 Na20 O162 S16 -","- C290 H204 N24 Na20 O114.4 S16 -","- C2320 H1632 N192 Na160 O915.2 S128 -","8","0.5","","Rita De Zorzi; Nicol Guidolin; Lucio Randaccio; Roberto Purrello; Silvano Geremia","Nanoporous Crystals of Calixarene/Porphyrin Supramolecular Complex Functionalized by Diffusion and Coordination of Metal Ions","Journal of the American Chemical Society","2009","131","","2487","2489","10.1021/ja808850d","","","1","","","0.1379","0.1173","","","0.3237","0.3567","","","","","","1.001","","","","has coordinates,has disorder","289031","2024-01-11","08:35:40",""
"4103952","49.14","0.0007","49.14","0.0007","49.8","0.0006","90","","90","","90","","120254","3","100","2","100","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C276 H354 Cl4 N24 Na16 O168 S16 Zn4 -","- C276 H204 Cl4 N24 Na16 O112 S16 Zn4 -","- C2208 H1632 Cl32 N192 Na128 O896 S128 Zn32 -","8","0.5","","Rita De Zorzi; Nicol Guidolin; Lucio Randaccio; Roberto Purrello; Silvano Geremia","Nanoporous Crystals of Calixarene/Porphyrin Supramolecular Complex Functionalized by Diffusion and Coordination of Metal Ions","Journal of the American Chemical Society","2009","131","","2487","2489","10.1021/ja808850d","","","1","","","0.1214","0.0985","","","0.2575","0.2825","","","","","","0.996","","","","has coordinates","289031","2024-01-11","08:35:45",""
"4103953","49.646","0.014","49.646","0.014","50.592","0.006","90","","90","","90","","124695","5","100","2","100","2","","","","","","","","7","I 41/a m d :2","-I 4bd 2","141","","","","- C69 H62 N6 Na3 Ni O28.75 S4 -","- C69 N6 Na3 Ni O25 S4 -","- C2208 N192 Na96 Ni32 O800 S128 -","32","1","","Rita De Zorzi; Nicol Guidolin; Lucio Randaccio; Roberto Purrello; Silvano Geremia","Nanoporous Crystals of Calixarene/Porphyrin Supramolecular Complex Functionalized by Diffusion and Coordination of Metal Ions","Journal of the American Chemical Society","2009","131","","2487","2489","10.1021/ja808850d","","","1","","","0.2453","0.218","","","0.4991","0.5358","","","","","","1.916","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103954","9.67","0.0002","8.9639","0.0002","16.6568","0.0003","90","","90","","90","","1443.83","0.05","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","1","","Aaron R. Thornton; Véronique I. Martin; Simon B. Blakey","π-Nucleophile Traps for Metallonitrene/Alkyne Cascade Reactions: A Versatile Process for the Synthesis of α-Aminocyclopropanes and β-Aminostyrenes","Journal of the American Chemical Society","2009","131","","2434","2435","10.1021/ja809078d","","","0.71073","MoKα","","0.0373","0.0346","","","0.0871","0.0895","","","","","","1.004","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103955","7.3266","0.0003","25.3593","0.0012","8.0363","0.0004","90","","106.307","0.003","90","","1433.06","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","1","","Aaron R. Thornton; Véronique I. Martin; Simon B. Blakey","π-Nucleophile Traps for Metallonitrene/Alkyne Cascade Reactions: A Versatile Process for the Synthesis of α-Aminocyclopropanes and β-Aminostyrenes","Journal of the American Chemical Society","2009","131","","2434","2435","10.1021/ja809078d","","","1.54178","CuKα","","0.04","0.0345","","","0.1101","0.1145","","","","","","1.068","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103956","8.3469","0.0004","14.3509","0.0007","10.0116","0.0005","90","","90.293","0.001","90","","1199.23","0.1","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Rockford W. Coscia; Tristan H. Lambert","Development of a Formal [4 + 1] Cycloaddition: Pd(OAc)2-Catalyzed Intramolecular Cyclopropanation of 1,3-Dienyl β-Keto Esters and MgI2-Promoted Vinylcyclopropane-Cyclopentene Rearrangement","Journal of the American Chemical Society","2009","131","","2496","2498","10.1021/ja809226x","","","0.71073","MoKα","","0.0395","0.0361","","","0.1035","0.107","","","","","","1.042","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103957","11.783","0.004","13.808","0.005","14.15","0.005","61.399","0.008","73.84","0.008","76.439","0.007","1927.4","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H96 Cl8 Fe2 N10 O2 -","- C76 H96 Cl8 Fe2 N10 O2 -","- C76 H96 Cl8 Fe2 N10 O2 -","1","0.5","","Nan Xu; Adam L. O. Campbell; Douglas R. Powell; Jana Khandogin; George B. Richter-Addo","A Stable Hyponitrite-Bridged Iron Porphyrin Complex","Journal of the American Chemical Society","2009","131","","2460","2461","10.1021/ja809781r","","","0.71073","MoKα","","0.0504","0.0403","","","0.1056","0.1114","","","","","","1.013","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103958","30.984","0.0002","30.984","0.0002","30.984","0.0002","90","","90","","90","","29744.9","0.3","296","2","296","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C20 H16 In2 Mg N8 O22 -","- C20 H4 In2 Mg N8 O22 -","- C480 H96 In48 Mg24 N192 O528 -","24","0.25","","Farid Nouar; Juergen Eckert; Jarrod F. Eubank; Paul Forster; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) as Hydrogen Storage Platform: Lithium and Magnesium Ion-Exchange and H2-(rho-ZMOF) Interaction Studies","Journal of the American Chemical Society","2009","131","","2864","2870","10.1021/ja807229a","","","0.7749","Synchrotronx-ray","","0.0622","0.0543","","","0.1846","0.1944","","","","","","1.097","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103959","9.6382","0.0007","9.6449","0.0007","10.922","0.0007","103.46","0.001","100.068","0.001","93.397","0.001","966.9","0.12","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H59 N5 O10 -","- C34 H53 N5 O8 -","- C34 H53 N5 O8 -","1","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.0437","0.0429","","","0.1131","0.1141","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103960","8.5572","0.001","27.653","0.003","36.266","0.004","90","","90","","90","","8581.7","1.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H62 N6 O9 -","- C40 H62 N6 O9 -","- C320 H496 N48 O72 -","8","2","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.0851","0.0559","","","0.1127","0.1228","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103961","21.942","0.002","25.008","0.003","10.216","0.0011","90","","90","","90","","5605.8","1","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C49 H74 Br Cl3 N8 O11 -","- C49 H74 Br Cl3 N8 O11 -","- C196 H296 Br4 Cl12 N32 O44 -","4","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.0771","0.0705","","","0.2071","0.2144","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103962","10.394","0.0007","33.58","0.002","21.7313","0.0015","90","","91.667","0.001","90","","7581.7","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C63 H96 Br Cl6 N11 O14 -","- C60.997 H93.994 Br N11 O14 -","- C243.988 H375.976 Br4 N44 O56 -","4","2","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.1003","0.0883","","","0.2418","0.2515","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103963","18.5023","0.001","18.5023","0.001","32.418","0.004","90","","90","","120","","9611","1.4","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C49 H67 Br N6 O9 -","- C49 H67 Br N6 O9 -","- C294 H402 Br6 N36 O54 -","6","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.0853","0.0782","","","0.2047","0.2105","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103964","17.5704","0.0013","19.5584","0.0014","26.6849","0.0019","90","","90","","90","","9170.2","1.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44.5 H68 N6 O9.5 -","- C44.5 H68 N6 O9.5 -","- C356 H544 N48 O76 -","8","2","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","MoKα","","0.0865","0.0541","","","0.1262","0.1435","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103965","12.226","0.003","10.535","0.003","20.547","0.005","90","","96.332","0.004","90","","2630.3","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H77.5 Br N7 O10.75 -","- C47 H70 Br N7 O10 -","- C94 H140 Br2 N14 O20 -","2","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.1015","0.0709","","","0.1715","0.1863","","","","","","1.038","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103966","10.3917","0.0003","19.5378","0.0005","17.2657","0.0004","90","","96.8006","0.0004","90","","3480.81","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H103 Br N10 O14 -","- C66 H103 Br N10 O14 -","- C132 H206 Br2 N20 O28 -","2","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.0368","0.0352","","","0.0943","0.096","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103967","11.2597","0.0016","18.861","0.003","18.883","0.003","90","","92.079","0.002","90","","4007.5","1.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C65.19 H97.19 Br Cl6.57 N10 O13 -","- C65.19 H97.19 Br Cl6.57 N10 O13 -","- C130.38 H194.38 Br2 Cl13.14 N20 O26 -","2","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.0799","0.076","","","0.2117","0.2173","","","","","","1.124","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103968","18.2435","0.0011","10.1114","0.0006","21.7817","0.0014","90","","112.287","0.001","90","","3717.8","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C67 H109 Br N10 O16 -","- C67 H109 Br N10 O16 -","- C134 H218 Br2 N20 O32 -","2","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.0493","0.0462","","","0.1319","0.1346","","","","","","1.007","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103969","14.3116","0.0016","14.3116","0.0016","13.612","0.002","90","","90","","120","","2414.5","0.5","183","2","183","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C48 H66 Ca2 O6 -","- C48 H66 Ca2 O6 -","- C96 H132 Ca4 O12 -","2","0.166667","","Sven Krieck; Helmar Görls; Lian Yu; Markus Reiher; Matthias Westerhausen","Stable ""Inverse"" Sandwich Complex with Unprecedented Organocalcium(I): Crystal Structures of [(thf)2Mg(Br)-C6H2-2,4,6-Ph3] and [(thf)3Ca{μ-C6H3-1,3,5-Ph3}Ca(thf)3]","Journal of the American Chemical Society","2009","131","","2977","2985","10.1021/ja808524y","","","0.71073","MoKα","","0.1435","0.1057","","","0.2877","0.3328","","","","","","1.07","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103970","8.7189","0.0002","20.6162","0.0005","30.8439","0.0006","90","","90","","90","","5544.2","0.2","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H33 Br Mg O2 -","- C32 H33 Br Mg O2 -","- C256 H264 Br8 Mg8 O16 -","8","1","","Sven Krieck; Helmar Görls; Lian Yu; Markus Reiher; Matthias Westerhausen","Stable ""Inverse"" Sandwich Complex with Unprecedented Organocalcium(I): Crystal Structures of [(thf)2Mg(Br)-C6H2-2,4,6-Ph3] and [(thf)3Ca{μ-C6H3-1,3,5-Ph3}Ca(thf)3]","Journal of the American Chemical Society","2009","131","","2977","2985","10.1021/ja808524y","","","0.71073","MoKα","","0.096","0.0456","","","0.0859","0.1014","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103971","11.285","0.002","10.405","0.003","13.546","0.002","90","","96.39","0.01","90","","1580.7","0.6","296.2","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 -","- C22 H22 -","- C88 H88 -","4","1","","Yoshikazu Horino; Takuya Yamamoto; Kohki Ueda; Shigeyasu Kuroda; F. Dean Toste","Au(I)-Catalyzed Cycloisomerizations Terminated by sp3 C-H Bond Insertion","Journal of the American Chemical Society","2009","131","","2809","2811","10.1021/ja808780r","","","0.7107","MoKα","","","0.0533","","","","0.1276","","","","","","1.398","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103972","25.078","0.003","7.7656","0.0012","11.962","0.002","90","","90","","90","","2329.5","0.6","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H20 Cl O2 P -","- C10 H20 Cl O2 P -","- C80 H160 Cl8 O16 P8 -","8","2","","Monica Carreira; Manutsavin Charernsuk; Michael Eberhard; Natalie Fey; Roel van Ginkel; Alex Hamilton; Wilhelmus P. Mul; A. Guy Orpen; Hirihataya Phetmung; Paul G. Pringle","Anatomy of Phobanes. Diastereoselective Synthesis of the Three Isomers of n-Butylphobane and a Comparison of their Donor Properties","Journal of the American Chemical Society","2009","131","","3078","3092","10.1021/ja808807s","","","0.71073","MoKα","","0.0542","0.0464","","","0.1065","0.1128","","","","","","1.05","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103973","7.7585","0.0016","7.8401","0.0016","11.023","0.002","96.88","0.03","102.46","0.03","97.12","0.03","642.2","0.2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H46 Cl2 P2 Pt -","- C24 H46 Cl2 P2 Pt1.0001 -","- C24 H46 Cl2 P2 Pt1.0001 -","1","0.5","","Monica Carreira; Manutsavin Charernsuk; Michael Eberhard; Natalie Fey; Roel van Ginkel; Alex Hamilton; Wilhelmus P. Mul; A. Guy Orpen; Hirihataya Phetmung; Paul G. Pringle","Anatomy of Phobanes. Diastereoselective Synthesis of the Three Isomers of n-Butylphobane and a Comparison of their Donor Properties","Journal of the American Chemical Society","2009","131","","3078","3092","10.1021/ja808807s","","x-ray","0.71074","MoKα","","0.0148","0.0148","","","0.0367","0.0367","","","","","","1.088","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103974","19.0791","0.001","8.1201","0.0003","19.1417","0.001","90","","116.866","0.002","90","","2645.4","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 Cl2 P2 Pt -","- C24 H46 Cl2 P2 Pt -","- C96 H184 Cl8 P8 Pt4 -","4","1","","Monica Carreira; Manutsavin Charernsuk; Michael Eberhard; Natalie Fey; Roel van Ginkel; Alex Hamilton; Wilhelmus P. Mul; A. Guy Orpen; Hirihataya Phetmung; Paul G. Pringle","Anatomy of Phobanes. Diastereoselective Synthesis of the Three Isomers of n-Butylphobane and a Comparison of their Donor Properties","Journal of the American Chemical Society","2009","131","","3078","3092","10.1021/ja808807s","","","0.71073","MoKα","","0.1064","0.0683","","","0.1203","0.1386","","","","","","1.131","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103975","11.2515","0.0006","14.1812","0.0004","14.6186","0.0005","82.687","0.026","70.963","0.035","76.951","0.034","2144.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Cl2 O2 P2 Pt -","- C18 H31 Cl2 O2 P2 Pt -","- C72 H124 Cl8 O8 P8 Pt4 -","4","2","","Monica Carreira; Manutsavin Charernsuk; Michael Eberhard; Natalie Fey; Roel van Ginkel; Alex Hamilton; Wilhelmus P. Mul; A. Guy Orpen; Hirihataya Phetmung; Paul G. Pringle","Anatomy of Phobanes. Diastereoselective Synthesis of the Three Isomers of n-Butylphobane and a Comparison of their Donor Properties","Journal of the American Chemical Society","2009","131","","3078","3092","10.1021/ja808807s","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103976","15.511","0.002","11.7916","0.0016","11.173","0.0009","90","","97.031","0.009","90","","2028.2","0.4","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C88 H100 N4 O16 -","4","1","","Gilles Lemière; Vincent Gandon; Kevin Cariou; Alexandra Hours; Takahide Fukuyama; Anne-Lise Dhimane; Louis Fensterbank; Max Malacria","Generation and Trapping of Cyclopentenylidene Gold Species: Four Pathways to Polycyclic Compounds","Journal of the American Chemical Society","2009","131","","2993","3006","10.1021/ja808872u","","","0.71073","MoKα","","0.1408","0.057","","","0.1444","0.1837","","","","","","1.016","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103977","7.2997","0.0009","11.4574","0.0018","13.348","0.002","107.252","0.011","92.656","0.011","99.208","0.012","1047.2","0.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H36 O2 Si -","- C20 H36 O2 Si -","- C40 H72 O4 Si2 -","2","1","","Gilles Lemière; Vincent Gandon; Kevin Cariou; Alexandra Hours; Takahide Fukuyama; Anne-Lise Dhimane; Louis Fensterbank; Max Malacria","Generation and Trapping of Cyclopentenylidene Gold Species: Four Pathways to Polycyclic Compounds","Journal of the American Chemical Society","2009","131","","2993","3006","10.1021/ja808872u","","","","","","","","","","","","","","","","","","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103978","11.2235","0.0019","7.0509","0.0004","22.37","0.003","90","","91.015","0.012","90","","1770","0.4","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Gilles Lemière; Vincent Gandon; Kevin Cariou; Alexandra Hours; Takahide Fukuyama; Anne-Lise Dhimane; Louis Fensterbank; Max Malacria","Generation and Trapping of Cyclopentenylidene Gold Species: Four Pathways to Polycyclic Compounds","Journal of the American Chemical Society","2009","131","","2993","3006","10.1021/ja808872u","","","","","","","","","","","","","","","","","","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103979","14.028","0.003","14.204","0.003","18.556","0.004","90","","90","","90","","3697.4","1.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","08045m","","","- C12 H24 Cu F3 N4 O3 S -","- C12 H24 Cu F3 N4 O3 S -","- C96 H192 Cu8 F24 N32 O24 S8 -","8","1","","Itsik Bar-Nahum; Aalo K. Gupta; Stefan M. Huber; Mehmed Z. Ertem; Christopher J. Cramer; William B. Tolman","Reduction of Nitrous Oxide to Dinitrogen by a Mixed Valent Tricopper-Disulfido Cluster","Journal of the American Chemical Society","2009","131","","2812","2814","10.1021/ja808917k","","","0.71073","MoKα","","0.0754","0.0386","","","0.082","0.1003","","","","","","1.091","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103980","8.696","0.002","8.497","0.002","22.674","0.006","90","","92.565","0.004","90","","1673.7","0.7","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","08036","","","- C20 H42 Cu2 F6 N6 O6 S4 -","- C20 H42 Cu2 F6 N6 O6 S4 -","- C40 H84 Cu4 F12 N12 O12 S8 -","2","0.5","","Itsik Bar-Nahum; Aalo K. Gupta; Stefan M. Huber; Mehmed Z. Ertem; Christopher J. Cramer; William B. Tolman","Reduction of Nitrous Oxide to Dinitrogen by a Mixed Valent Tricopper-Disulfido Cluster","Journal of the American Chemical Society","2009","131","","2812","2814","10.1021/ja808917k","","","0.71073","MoKα","","0.085","0.0623","","","0.127","0.1361","","","","","","1.008","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103981","23.7547","0.0009","12.9647","0.0005","29.9129","0.0011","90","","96.992","0.001","90","","9143.8","0.6","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","08016","","","- C29 H63 Cu3 F6 N9 O6 S4 -","- C29 H63 Cu3 F6 N9 O6 S4 -","- C232 H504 Cu24 F48 N72 O48 S32 -","8","1","","Itsik Bar-Nahum; Aalo K. Gupta; Stefan M. Huber; Mehmed Z. Ertem; Christopher J. Cramer; William B. Tolman","Reduction of Nitrous Oxide to Dinitrogen by a Mixed Valent Tricopper-Disulfido Cluster","Journal of the American Chemical Society","2009","131","","2812","2814","10.1021/ja808917k","","","0.71073","MoKα","","0.0571","0.0353","","","0.0768","0.0884","","","","","","1.04","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103982","18.623","0.003","36.669","0.006","26.997","0.005","90","","107.203","0.002","90","","17611","5","80","2","80","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H224 N46 Ni2 O74 Pd6 -","- C114 H156 N46 Ni2 O74 Pd6 -","- C456 H624 N184 Ni8 O296 Pd24 -","4","1","","Kosuke Ono; Michito Yoshizawa; Munetaka Akita; Tatsuhisa Kato; Yoshihide Tsunobuchi; Shin-ichi Ohkoshi; Makoto Fujita","Spin Crossover by Encapsulation","Journal of the American Chemical Society","2009","131","","2782","2783","10.1021/ja8089894","","","0.71073","MoKα","","0.0897","0.0505","","","0.1259","0.1475","","","","","","1.033","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103983","10.8568","0.0014","18.625","0.003","40.746","0.018","90","","90","","90","","8239","4","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C5 H9 Au N2 Sn -","- C5 H9 Au N2 Sn -","- C160 H288 Au32 N64 Sn32 -","32","2","","Andrea Deák; Tünde Tunyogi; Gábor Pálinkás","Synthesis and Structure of a Cyanoaurate-Based Organotin Polymer Exhibiting Unusual Ion-Exchange Properties","Journal of the American Chemical Society","2009","131","","2815","2817","10.1021/ja809067t","","","0.71073","MoKα","","0.0501","0.045","","","0.0922","0.0951","","","","","","1.179","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103984","18.206","0.014","11.118","0.008","6.579","0.004","90","","111.09","0.03","90","","1242.5","1.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Au2 N4 Sn -","- C6 H6 Au2 N4 Sn -","- C24 H24 Au8 N16 Sn4 -","4","0.5","","Andrea Deák; Tünde Tunyogi; Gábor Pálinkás","Synthesis and Structure of a Cyanoaurate-Based Organotin Polymer Exhibiting Unusual Ion-Exchange Properties","Journal of the American Chemical Society","2009","131","","2815","2817","10.1021/ja809067t","","","0.7107","MoKα","","0.0393","0.0353","","","0.0796","0.0817","","","","","","1.053","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103985","10.221","0.003","16.359","0.005","13.852","0.004","90","","105.126","0.008","90","","2235.9","1.1","113.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Cu F6 N3 P -","- C21 H28 Cu F6 N3 P -","- C84 H112 Cu4 F24 N12 P4 -","4","1","","Atsushi Kunishita; Minoru Kubo; Hideki Sugimoto; Takashi Ogura; Kazunobu Sato; Takeji Takui; Shinobu Itoh","Mononuclear Copper(II)-Superoxo Complexes that Mimic the Structure and Reactivity of the Active Centers of PHM and DβM","Journal of the American Chemical Society","2009","131","","2788","2789","10.1021/ja809464e","","","0.7107","MoKα","","","0.0671","","","","0.108","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103986","25.807","0.003","7.3456","0.0005","29.453","0.003","90","","111.978","0.004","90","","5177.6","0.9","113.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 Cu F6 N4 O2.5 P -","- C23 H32 Cu F6 N4 O2.5 P -","- C184 H256 Cu8 F48 N32 O20 P8 -","8","1","","Atsushi Kunishita; Minoru Kubo; Hideki Sugimoto; Takashi Ogura; Kazunobu Sato; Takeji Takui; Shinobu Itoh","Mononuclear Copper(II)-Superoxo Complexes that Mimic the Structure and Reactivity of the Active Centers of PHM and DβM","Journal of the American Chemical Society","2009","131","","2788","2789","10.1021/ja809464e","","","0.7107","MoKα","","","0.0684","","","","0.0747","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103987","10.163","0.014","17.316","0.016","14.633","0.015","90","","110.49","0.04","90","","2412","5","153.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 Cu F6 N3 O P -","- C22 H31 Cu F6 N3 O P -","- C88 H124 Cu4 F24 N12 O4 P4 -","4","1","","Atsushi Kunishita; Minoru Kubo; Hideki Sugimoto; Takashi Ogura; Kazunobu Sato; Takeji Takui; Shinobu Itoh","Mononuclear Copper(II)-Superoxo Complexes that Mimic the Structure and Reactivity of the Active Centers of PHM and DβM","Journal of the American Chemical Society","2009","131","","2788","2789","10.1021/ja809464e","","","0.71075","MoKα","","","0.0496","","","","0.0519","","","","","","0.965","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103988","9.235","0.008","11.661","0.012","12.165","0.009","84.78","0.03","71.72","0.03","78.39","0.03","1217.9","1.9","153.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C21 H28 Cl Cu F6 N4 O2 P -","- C21 H26 Cl Cu F6 N4 O2 P -","- C42 H52 Cl2 Cu2 F12 N8 O4 P2 -","2","1","","Atsushi Kunishita; Minoru Kubo; Hideki Sugimoto; Takashi Ogura; Kazunobu Sato; Takeji Takui; Shinobu Itoh","Mononuclear Copper(II)-Superoxo Complexes that Mimic the Structure and Reactivity of the Active Centers of PHM and DβM","Journal of the American Chemical Society","2009","131","","2788","2789","10.1021/ja809464e","","","0.71075","MoKα","","","0.0428","","","","0.0567","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103989","10.327","0.009","10.895","0.011","12.985","0.011","84.88","0.03","73.51","0.03","71.53","0.03","1329","2","153.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C24 H32 Cl Cu F6 N4 O4 P -","- C23 H31 Cu F6 N4 O4 P -","- C46 H62 Cu2 F12 N8 O8 P2 -","2","1","","Atsushi Kunishita; Minoru Kubo; Hideki Sugimoto; Takashi Ogura; Kazunobu Sato; Takeji Takui; Shinobu Itoh","Mononuclear Copper(II)-Superoxo Complexes that Mimic the Structure and Reactivity of the Active Centers of PHM and DβM","Journal of the American Chemical Society","2009","131","","2788","2789","10.1021/ja809464e","","","0.71075","MoKα","","","0.0393","","","","0.0442","","","","","","0.954","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103990","8.982","0.006","16.187","0.011","12.881","0.009","90","0.004","92.017","0.004","90","0.004","1872","2","113","2","113","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H18 N2 O -","- C26 H18 N2 O -","- C104 H72 N8 O4 -","4","1","","Takuya Kochi; Seiya Urano; Hajime Seki; Eiichiro Mizushima; Mitsuo Sato; Fumitoshi Kakiuchi","Ruthenium-Catalyzed Amino- and Alkoxycarbonylations with Carbamoyl Chlorides and Alkyl Chloroformates via Aromatic C-H Bond Cleavage","Journal of the American Chemical Society","2009","131","","2792","2793","10.1021/ja8097492","","","0.7107","MoKα","","0.0369","0.0344","","","0.0834","0.0853","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103991","15.626","0.002","5.4881","0.0007","19.506","0.003","90","","96.142","0.002","90","","1663.2","0.4","149","2","149","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H24 F6 -","- C46 H24 F6 -","- C92 H48 F12 -","2","0.5","","Zerubba U. Levi; T. Don Tilley","Versatile Synthesis of Pentalene Derivatives via the Pd-Catalyzed Homocoupling of Haloenynes","Journal of the American Chemical Society","2009","131","","2796","2797","10.1021/ja809930f","","","0.71073","MoKα","","0.083","0.0351","","","0.0517","0.0559","","","","","","0.692","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103992","21.051","0.002","19.381","0.002","9.0189","0.0009","90","","90","","90","","3679.6","0.6","150","2","150","2","","","","","","","","2","P b c n","-P 2n 2ab","60","tilley01","ZL141a","","- C50 H42 -","- C50 H42 -","- C200 H168 -","4","0.5","","Zerubba U. Levi; T. Don Tilley","Versatile Synthesis of Pentalene Derivatives via the Pd-Catalyzed Homocoupling of Haloenynes","Journal of the American Chemical Society","2009","131","","2796","2797","10.1021/ja809930f","","","0.7749","synchrotron","","0.0559","0.0456","","","0.1221","0.1311","","","","","","1.036","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4103993","14.4014","0.0001","15.7227","0.0001","21.6608","0.0002","93.2587","0.0003","100.404","0.0003","107.279","0.0004","4574.28","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","[K-(2,2,2-crypt)]3[Fe@Ge10]*2en","","- C58 H124 Fe Ge10 K3 N10 O18 -","- C58 H124.04 Fe Ge10 K3 N10 O18 -","- C116 H248.08 Fe2 Ge20 K6 N20 O36 -","2","1","","Binbin Zhou; Mark S. Denning; Deborah L. Kays; Jose M. Goicoechea","Synthesis and Isolation of [Fe@Ge10]3-: A Pentagonal Prismatic Zintl Ion Cage Encapsulating an Interstitial Iron Atom","Journal of the American Chemical Society","2009","131","","2802","2803","10.1021/ja900055j","","","0.71073","MoKα","","0.0572","0.0438","","","0.1188","0.1256","","","","","","1.047","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103994","9.8","0.003","9.819","0.003","21.005","0.008","79.398","0.011","80.237","0.011","79.763","0.012","1935.4","1.1","150","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 F3 N O2 -","- C24 H18 F3 N O2 -","- C96 H72 F12 N4 O8 -","4","2","","Itaru Nakamura; Toshiharu Araki; Masahiro Terada","Five-Bond Cleavage in Copper-Catalyzed Skeletal Rearrangement of O-Propargyl Arylaldoximes to β-Lactams","Journal of the American Chemical Society","2009","131","","2804","2805","10.1021/ja900133m","","","0.7107","MoKα","","","0.0932","","","","0.2926","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103995","26.181","0.008","17.048","0.006","14.967","0.005","90","","90.074","0.005","90","","6680","4","198","2","198","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H74 F6 Ir2 N4 O11 S4 -","- C64 H74 F6 Ir2 N4 O11 S4 -","- C256 H296 F24 Ir8 N16 O44 S16 -","4","1","","Zachariah M. Heiden; Thomas B. Rauchfuss","Proton-Assisted Activation of Dihydrogen: Mechanistic Aspects of Proton-Catalyzed Addition of H2 to Ru and Ir Amido Complexes","Journal of the American Chemical Society","2009","131","","3593","3600","10.1021/ja807277s","","","0.71073","MoKα","","0.0977","0.0624","","","0.1537","0.1653","","","","","","1.077","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103996","13.178","0.002","9.9503","0.0012","19.912","0.003","90","","101.548","0.013","90","","2558.1","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H37 Cu F6 N4 O2 P -","- C22 H37 Cu F6 N4 O2 P -","- C88 H148 Cu4 F24 N16 O8 P4 -","4","1","","Abid Khan; Gary Nicholson; John Greenman; Leigh Madden; Graeme McRobbie; Christophe Pannecouque; Erik De Clercq; Robert Ullom; Danny L. Maples; Randall D. Maples; Jon D. Silversides; Timothy J. Hubin; Stephen J. Archibald","Binding Optimization through Coordination Chemistry: CXCR4 Chemokine Receptor Antagonists from Ultrarigid Metal Complexes","Journal of the American Chemical Society","2009","131","","3416","3417","10.1021/ja807921k","","","0.71073","MoKα","","0.1239","0.0416","","","0.0633","0.0755","","","","","","0.736","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103997","14.716","0.0002","9.741","0.0001","20.998","0.0003","90","","90","","90","","3010.03","0.07","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H9 F3 I2 O -","- C14 H9 F3 I2 O -","- C112 H72 F24 I16 O8 -","8","2","","Shiro Matsukawa; Hideaki Yamamichi; Yohsuke Yamamoto; Kaori Ando","Pentacoordinate Organoantimony Compounds That Isomerize by Turnstile Rotation","Journal of the American Chemical Society","2009","131","","3418","3419","10.1021/ja808113q","","","0.71069","MoKα","","0.0452","0.0395","","","0.1193","0.1343","","","","","","1.171","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103998","8.865","0.0002","7.839","0.0001","28.107","0.0007","90","","94.973","0.001","90","","1945.88","0.07","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cl F3 O Sb -","- C22 H17 Cl F3 O Sb -","- C88 H68 Cl4 F12 O4 Sb4 -","4","1","","Shiro Matsukawa; Hideaki Yamamichi; Yohsuke Yamamoto; Kaori Ando","Pentacoordinate Organoantimony Compounds That Isomerize by Turnstile Rotation","Journal of the American Chemical Society","2009","131","","3418","3419","10.1021/ja808113q","","","0.71069","MoKα","","0.0474","0.0419","","","0.1134","0.1282","","","","","","1.121","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103999","8.418","0.0002","10.079","0.0002","14.748","0.0004","96.205","0.001","100.733","0.001","93.319","0.001","1218.3","0.05","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 Cl F3 O Sb -","- C28 H21 Cl F3 O Sb -","- C56 H42 Cl2 F6 O2 Sb2 -","2","1","","Shiro Matsukawa; Hideaki Yamamichi; Yohsuke Yamamoto; Kaori Ando","Pentacoordinate Organoantimony Compounds That Isomerize by Turnstile Rotation","Journal of the American Chemical Society","2009","131","","3418","3419","10.1021/ja808113q","","","0.71069","MoKα","","0.0397","0.0384","","","0.1029","0.1038","","","","","","1.096","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4104000","11.965","0.0006","13.375","0.0007","16.849","0.0008","100.104","0.002","104.778","0.002","101.806","0.002","2477.1","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 Cl F3 O Sb -","- C28 H21 Cl F3 O Sb -","- C112 H84 Cl4 F12 O4 Sb4 -","4","2","","Shiro Matsukawa; Hideaki Yamamichi; Yohsuke Yamamoto; Kaori Ando","Pentacoordinate Organoantimony Compounds That Isomerize by Turnstile Rotation","Journal of the American Chemical Society","2009","131","","3418","3419","10.1021/ja808113q","","","0.71069","MoKα","","0.1562","0.0811","","","0.2043","0.2409","","","","","","1.114","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104001","3.7551","0.0005","11.2066","0.0013","27.322","0.003","90","","92.947","0.007","90","","1148.2","0.2","180","","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O4 -","- C14 H10 N2 O4 -","- C56 H40 N8 O16 -","4","1","","David M. S. Martins; Derek S. Middlemiss; Colin R. Pulham; Chick C. Wilson; Mark T. Weller; Paul F. Henry; Norman Shankland; Kenneth Shankland; William G. Marshall; Richard M. Ibberson; Kevin Knight; Stephen Moggach; Michela Brunelli; Carole A. Morrison","Temperature- and Pressure-Induced Proton Transfer in the 1:1 Adduct Formed between Squaric Acid and 4,4'-Bipyridine","Journal of the American Chemical Society","2009","131","","3884","3893","10.1021/ja8082973","","","0.71073","MoKα","","0.0524","0.042","","0.113","0.1064","0.113","","","","","","1.0145","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00",""
"4104002","3.7975","0.0001","11.1996","0.0003","27.4424","0.0007","90","","92.236","0.002","90","","1166.25","0.05","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O4 -","- C14 H10 N2 O4 -","- C56 H40 N8 O16 -","4","1","","David M. S. Martins; Derek S. Middlemiss; Colin R. Pulham; Chick C. Wilson; Mark T. Weller; Paul F. Henry; Norman Shankland; Kenneth Shankland; William G. Marshall; Richard M. Ibberson; Kevin Knight; Stephen Moggach; Michela Brunelli; Carole A. Morrison","Temperature- and Pressure-Induced Proton Transfer in the 1:1 Adduct Formed between Squaric Acid and 4,4'-Bipyridine","Journal of the American Chemical Society","2009","131","","3884","3893","10.1021/ja8082973","","","0.71073","MoKα","","0.0501","0.0449","","0.1064","0.1035","0.1064","","","","","","1.0528","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00",""
"4104003","12.359","0.008","11.287","0.007","9.061","0.006","90","","109.139","0.01","90","","1194.1","1.3","453","","453","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 N2 O4 -","- C14 H8 N2 O4 -","- C56 H32 N8 O16 -","4","0.5","","David M. S. Martins; Derek S. Middlemiss; Colin R. Pulham; Chick C. Wilson; Mark T. Weller; Paul F. Henry; Norman Shankland; Kenneth Shankland; William G. Marshall; Richard M. Ibberson; Kevin Knight; Stephen Moggach; Michela Brunelli; Carole A. Morrison","Temperature- and Pressure-Induced Proton Transfer in the 1:1 Adduct Formed between Squaric Acid and 4,4'-Bipyridine","Journal of the American Chemical Society","2009","131","","3884","3893","10.1021/ja8082973","","","0.71073","MoKα","","0.1031","0.0665","","0.1841","0.1671","0.1841","","","","","","1.0152","","","","has coordinates,has Fobs","178786","2020-10-21","18:00:00",""
"4104004","10.6478","0.0003","16.6197","0.0004","26.3441","0.0004","90","","90","","90","","4661.94","0.19","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Cl6 N2 P3 -","- C18 H15 Cl6 N2 P3 -","- C144 H120 Cl48 N16 P24 -","8","1","","Vivienne Blackstone; Alan J. Lough; Martin Murray; Ian Manners","Probing the Mechanism of the PCl5-Initiated Living Cationic Polymerization of the Phosphoranimine Cl3P=NSiMe3 using Model Compound Chemistry","Journal of the American Chemical Society","2009","131","","3658","3667","10.1021/ja808517d","","","0.71073","MoKα","","0.0888","0.0459","","","0.1015","0.1218","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104005","11.3728","0.0004","17.6718","0.0007","13.0181","0.0003","90","","107.735","0.002","90","","2492.01","0.15","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H32 Cl12 N3 P5 -","- C37 H32 Cl12 N3 P5 -","- C74 H64 Cl24 N6 P10 -","2","1","","Vivienne Blackstone; Alan J. Lough; Martin Murray; Ian Manners","Probing the Mechanism of the PCl5-Initiated Living Cationic Polymerization of the Phosphoranimine Cl3P=NSiMe3 using Model Compound Chemistry","Journal of the American Chemical Society","2009","131","","3658","3667","10.1021/ja808517d","","","0.71073","MoKα","","0.1052","0.0723","","","0.1921","0.2165","","","","","","1.036","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104006","18.0588","0.0003","7.7422","0.0001","29.3146","0.0004","90","","103.245","0.0009","90","","3989.59","0.1","150","1","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cl8 N2 P4 -","- C36 H30 Cl8 N2 P4 -","- C144 H120 Cl32 N8 P16 -","4","1","","Vivienne Blackstone; Alan J. Lough; Martin Murray; Ian Manners","Probing the Mechanism of the PCl5-Initiated Living Cationic Polymerization of the Phosphoranimine Cl3P=NSiMe3 using Model Compound Chemistry","Journal of the American Chemical Society","2009","131","","3658","3667","10.1021/ja808517d","","","0.71073","MoKα","","0.0886","0.0424","","","0.099","0.117","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104007","27.423","","6.004","","20.005","","90","","109.79","","90","","3099.25","","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(RS)-tert-butyl 2-oxo-1,2-dihydrospiro[benzo[d][1,3]oxazine-4,3'-pyrrolidine] -1'-carboxylate","","- C16 H20 N2 O4 -","- C16 H20 N2 O4 -","- C128 H160 N16 O32 -","8","1","","K. C. Nicolaou; Arkady Krasovskiy; Utpal Majumder; Vincent É. Trépanier; David Y.-K. Chen","New Synthetic Technologies for the Construction of Heterocycles and Tryptamines","Journal of the American Chemical Society","2009","131","","3690","3699","10.1021/ja808692j","","x-ray","0.7107","MoKα","","0.1604","0.1128","","","0.2364","0.3274","","","","","","0.941","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104008","9.91","0.0009","10.54","0.0005","17.14","0.0012","90","","106.04","0.004","90","","1720.6","0.2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N2 O4 -","- C17 H22 N2 O4 -","- C68 H88 N8 O16 -","4","1","","K. C. Nicolaou; Arkady Krasovskiy; Utpal Majumder; Vincent É. Trépanier; David Y.-K. Chen","New Synthetic Technologies for the Construction of Heterocycles and Tryptamines","Journal of the American Chemical Society","2009","131","","3690","3699","10.1021/ja808692j","","x-ray","0.7107","MoKα","","0.1159","0.0743","","","0.1578","0.183","","","","","","0.998","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104009","9.331","0.002","16.104","0.003","10.041","0.002","90","","97.237","0.014","90","","1496.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","tert-butyl 4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-1-carboxylate","","- C15 H20 N2 O2 -","- C15 H20 N1.97 O2 -","- C60 H80 N7.88 O8 -","4","1","","K. C. Nicolaou; Arkady Krasovskiy; Utpal Majumder; Vincent É. Trépanier; David Y.-K. Chen","New Synthetic Technologies for the Construction of Heterocycles and Tryptamines","Journal of the American Chemical Society","2009","131","","3690","3699","10.1021/ja808692j","","x-ray","0.7107","MoKα","","0.1013","0.0969","","","0.2064","0.2114","","","","","","1.091","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104010","17.6524","0.0005","15.9364","0.0006","12.7876","0.0004","90","","117.878","0.002","90","","3179.86","0.19","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H32 Fe2 N10 O14 -","- C18 H32 Fe2 N10 O14 -","- C72 H128 Fe8 N40 O56 -","4","0.5","","Fu-Te Tsai; Ting-Shen Kuo; Wen-Feng Liaw","Dinitrosyl Iron Complexes (DNICs) Bearing O-Bound Nitrito Ligand: Reversible Transformation between the Six-Coordinate {Fe(NO)2}9[(1-MeIm)2(η2-ONO)Fe(NO)2] (g= 2.013) and Four-Coordinate {Fe(NO)2}9[(1-MeIm)(ONO)Fe(NO)2] (g= 2.03)","Journal of the American Chemical Society","2009","131","","3426","3427","10.1021/ja808743g","","","0.71073","MoKα","","0.0694","0.045","","","0.101","0.1127","","","","","","1.047","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104011","13.2996","0.0003","13.4256","0.0003","15.8455","0.0003","90","","97.951","0.001","90","","2802.1","0.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 Fe N7 O10 -","- C20 H36 Fe N7 O10 -","- C80 H144 Fe4 N28 O40 -","4","1","","Fu-Te Tsai; Ting-Shen Kuo; Wen-Feng Liaw","Dinitrosyl Iron Complexes (DNICs) Bearing O-Bound Nitrito Ligand: Reversible Transformation between the Six-Coordinate {Fe(NO)2}9[(1-MeIm)2(η2-ONO)Fe(NO)2] (g= 2.013) and Four-Coordinate {Fe(NO)2}9[(1-MeIm)(ONO)Fe(NO)2] (g= 2.03)","Journal of the American Chemical Society","2009","131","","3426","3427","10.1021/ja808743g","","","0.71073","MoKα","","0.0624","0.0493","","","0.1245","0.1343","","","","","","1.04","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104012","9.5191","0.0002","19.0746","0.0004","13.2434","0.0003","90","","92.521","0.001","90","","2402.32","0.09","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 Fe N4 O2 P -","- C22 H21 Fe N4 O2 P -","- C88 H84 Fe4 N16 O8 P4 -","4","1","","Fu-Te Tsai; Ting-Shen Kuo; Wen-Feng Liaw","Dinitrosyl Iron Complexes (DNICs) Bearing O-Bound Nitrito Ligand: Reversible Transformation between the Six-Coordinate {Fe(NO)2}9[(1-MeIm)2(η2-ONO)Fe(NO)2] (g= 2.013) and Four-Coordinate {Fe(NO)2}9[(1-MeIm)(ONO)Fe(NO)2] (g= 2.03)","Journal of the American Chemical Society","2009","131","","3426","3427","10.1021/ja808743g","","","0.71073","MoKα","","0.0617","0.0508","","","0.1418","0.1474","","","","","","1.13","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104013","13.8153","0.0005","26.2742","0.0007","14.8383","0.0006","90","","108.159","0.004","90","","5117.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C86 H126 Ag17 F3 O6 S -","- C86 H126 Ag17 F3 O6 S -","- C172 H252 Ag34 F6 O12 S2 -","2","0.5","","Shu-Dan Bian; Jian-Hua Jia; Quan-Ming Wang","High-Nuclearity Silver Clusters Templated by Carbonates Generated from Atmospheric Carbon Dioxide Fixation","Journal of the American Chemical Society","2009","131","","3422","3423","10.1021/ja8087696","","","0.71073","MoKα","","0.2079","0.0452","","","0.0648","0.0817","","","","","","0.682","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104014","21.7271","0.0004","15.8981","0.0002","34.0433","0.0005","90","","93.151","0.002","90","","11741.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C98 H148 Ag19 B F4 O4 -","- C98 H144 Ag19 B F4 O4 -","- C392 H576 Ag76 B4 F16 O16 -","4","1","","Shu-Dan Bian; Jian-Hua Jia; Quan-Ming Wang","High-Nuclearity Silver Clusters Templated by Carbonates Generated from Atmospheric Carbon Dioxide Fixation","Journal of the American Chemical Society","2009","131","","3422","3423","10.1021/ja8087696","","","0.71073","MoKα","","0.1668","0.0649","","","0.1309","0.1527","","","","","","0.919","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104015","8.7442","0.0004","27.4138","0.0014","9.2149","0.0004","90","","113.809","0.002","90","","2020.93","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Fe N6 -","- C24 H20 Fe N6 -","- C96 H80 Fe4 N24 -","4","1","","Brenda A. Frazier; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari","Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2","Journal of the American Chemical Society","2009","131","","3428","3429","10.1021/ja8089747","","","0.71073","MoKα","","0.0586","0.0424","","","0.0932","0.1001","","","","","","1.041","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104016","9.0129","0.0008","14.4774","0.0012","17.0517","0.0014","94.368","0.003","97.829","0.003","97.521","0.003","2175.2","0.3","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C25.5 H21.5 N6 Ni -","- C25.5 H21.5 N6 Ni -","- C102 H86 N24 Ni4 -","4","2","","Brenda A. Frazier; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari","Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2","Journal of the American Chemical Society","2009","131","","3428","3429","10.1021/ja8089747","","","0.71073","MoKα","","0.088","0.0435","","","0.0842","0.1006","","","","","","0.946","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104017","8.0558","0.0005","10.8367","0.0007","14.3114","0.0009","72.491","0.003","85.244","0.004","81.614","0.004","1177.73","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H28 Fe N4 Si2 -","- C18 H28 Fe N4 Si2 -","- C36 H56 Fe2 N8 Si4 -","2","1","","Brenda A. Frazier; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari","Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2","Journal of the American Chemical Society","2009","131","","3428","3429","10.1021/ja8089747","","","0.71073","MoKα","","0.0533","0.0389","","","0.0963","0.1018","","","","","","1.048","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104018","8.5577","0.0004","16.6991","0.0006","30.5536","0.0012","90","","90","","90","","4366.3","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Fe N6 -","- C24 H24 Fe N6 -","- C192 H192 Fe8 N48 -","8","2","","Brenda A. Frazier; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari","Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2","Journal of the American Chemical Society","2009","131","","3428","3429","10.1021/ja8089747","","","0.71073","MoKα","","0.056","0.0388","","","0.0708","0.0769","","","","","","1.035","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104019","30.8068","0.0012","14.4243","0.0005","18.5224","0.0007","90","","126.141","0.002","90","","6646.9","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 Co F3 N6 O4 S -","- C29 H28 Co F3 N6 O4 S -","- C232 H224 Co8 F24 N48 O32 S8 -","8","1","","Brenda A. Frazier; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari","Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2","Journal of the American Chemical Society","2009","131","","3428","3429","10.1021/ja8089747","","","0.71073","MoKα","","0.0782","0.0551","","","0.1424","0.1543","","","","","","1.055","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104020","9.028","0.006","14.398","0.009","16.882","0.009","93.92","0.05","98.35","0.05","97.35","0.04","2145","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 Co N6 -","- C24 H20 Co N6 -","- C96 H80 Co4 N24 -","4","2","","Brenda A. Frazier; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari","Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2","Journal of the American Chemical Society","2009","131","","3428","3429","10.1021/ja8089747","","","0.9789","","","0.0488","0.0474","","","0.1325","0.1349","","","","","","1.03","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104021","23.936","0.005","6.8126","0.0014","12.455","0.003","90","","118.2","0.03","90","","1789.9","0.8","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis(2-methylpropyldimethylsilyl)telluride","Bis(2-methylpropyldimethylsilyl)telluride","","- C12 H30 Si2 Te -","- C12 H30 Si2 Te -","- C48 H120 Si8 Te4 -","4","0.5","","Viljami Pore; Timo Hatanpää; Mikko Ritala; Markku Leskelä","Atomic Layer Deposition of Metal Tellurides and Selenides Using Alkylsilyl Compounds of Tellurium and Selenium","Journal of the American Chemical Society","2009","131","","3478","3480","10.1021/ja8090388","","","0.71073","MoKα","","0.0415","0.0356","","","0.1079","0.1097","","","","","","1.427","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104022","8.1232","0.0004","14.3079","0.0006","17.301","0.0008","101.95","0.003","92.574","0.003","94.037","0.003","1958.72","0.16","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Cl4 S Si2 -","- C42 H48 Cl4 S Si2 -","- C84 H96 Cl8 S2 Si4 -","2","1","","Ming Lee Tang; Joon Hak Oh; Anna Devi Reichardt; Zhenan Bao","Chlorination: A General Route toward Electron Transport in Organic Semiconductors","Journal of the American Chemical Society","2009","131","","3733","3740","10.1021/ja809045s","","","1.54178","CuKα","","0.0829","0.0488","","","0.1156","0.1345","","","","","","0.929","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104023","10.22","0.0014","15.396","0.003","19.845","0.003","101.182","0.004","90.581","0.004","100.776","0.004","3005.8","0.9","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H40 N4 O4 -","- C33 H40 N4 O4 -","- C132 H160 N16 O16 -","4","2","","Leigh, David A.; Lusby, Paul J.; McBurney, Roy T.; Morelli, Alessandra; Slawin, Alexandra M. Z.; Thomson, Andrew R.; Walker, D. Barney","Getting Harder: Cobalt(III)-Template Synthesis of Catenanes and Rotaxanes","Journal of the American Chemical Society","2009","131","10","3762","3771","10.1021/ja809627j","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","219207","2020-10-21","18:00:00",""
"4104024","15.4921","0.0006","19.1721","0.0008","21.3192","0.0009","90","","100.176","0.002","90","","6232.5","0.4","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H86 Co N7 O8 -","- C68 H86 Co N7 O8 -","- C272 H344 Co4 N28 O32 -","4","1","","Leigh, David A.; Lusby, Paul J.; McBurney, Roy T.; Morelli, Alessandra; Slawin, Alexandra M. Z.; Thomson, Andrew R.; Walker, D. Barney","Getting Harder: Cobalt(III)-Template Synthesis of Catenanes and Rotaxanes","Journal of the American Chemical Society","2009","131","10","3762","3771","10.1021/ja809627j","","","0.71073","MoKα","","0.0711","0.0666","","","0.1759","0.1807","","","","","","1.033","","","","has coordinates","219207","2020-10-21","18:00:00",""
"4104025","14.142","0.004","20.476","0.007","23.569","0.011","90","","90","","90","","6825","4","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70.5 H90 Cl Co N7 O8.5 -","- C70.5 H90 Cl Co N7 O8.5 -","- C282 H360 Cl4 Co4 N28 O34 -","4","1","","Leigh, David A.; Lusby, Paul J.; McBurney, Roy T.; Morelli, Alessandra; Slawin, Alexandra M. Z.; Thomson, Andrew R.; Walker, D. Barney","Getting Harder: Cobalt(III)-Template Synthesis of Catenanes and Rotaxanes","Journal of the American Chemical Society","2009","131","10","3762","3771","10.1021/ja809627j","","","","","","0.135","","","","","","","","","","","","","","","has coordinates","219207","2020-10-21","18:00:00",""
"4104026","10.0482","0.001","14.0223","0.0014","21.011","0.002","94.687","0.002","103.329","0.002","91.388","0.002","2868.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H69 Cl4 N5 P2 Zr -","- C59 H69 Cl4 N5 P2 Zr -","- C118 H138 Cl8 N10 P4 Zr2 -","2","1","","Pascal Oulié; Noel Nebra; Nathalie Saffon; Laurent Maron; Blanca Martin-Vaca; Didier Bourissou","2-Indenylidene Pincer Complexes of Zirconium and Palladium","Journal of the American Chemical Society","2009","131","","3493","3498","10.1021/ja809892a","","","0.71073","MoKα","","0.0777","0.0465","","","0.1011","0.1137","","","","","","1.006","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104027","12.8825","0.0014","23.109","0.002","17.1419","0.0018","90","","110.034","0.002","90","","4794.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H58 N4 P2 Zr -","- C55 H58 N4 P2 Zr -","- C220 H232 N16 P8 Zr4 -","4","1","","Pascal Oulié; Noel Nebra; Nathalie Saffon; Laurent Maron; Blanca Martin-Vaca; Didier Bourissou","2-Indenylidene Pincer Complexes of Zirconium and Palladium","Journal of the American Chemical Society","2009","131","","3493","3498","10.1021/ja809892a","","","0.71073","MoKα","","0.1062","0.0452","","","0.071","0.0858","","","","","","0.753","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104028","11.3074","0.0004","14.8453","0.0005","25.2573","0.0007","90","","90.58","0.002","90","","4239.5","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H51 N O0.5 P2 Pd S2 -","- C47 H51 N O0.5 P2 Pd S2 -","- C188 H204 N4 O2 P8 Pd4 S8 -","4","1","","Pascal Oulié; Noel Nebra; Nathalie Saffon; Laurent Maron; Blanca Martin-Vaca; Didier Bourissou","2-Indenylidene Pincer Complexes of Zirconium and Palladium","Journal of the American Chemical Society","2009","131","","3493","3498","10.1021/ja809892a","","","0.71073","MoKα","","0.1535","0.0485","","","0.0779","0.1069","","","","","","0.979","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104029","8.5993","0.0002","17.291","0.0005","10.7919","0.0003","90","","100.022","0.002","90","","1580.17","0.07","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N -","- C18 H23 N -","- C72 H92 N4 -","4","1","","Kirill V. Axenov; Gerald Kehr; Roland Fröhlich; Gerhard Erker","Catalytic Hydrogenation of Sensitive Organometallic Compounds by Antagonistic N/B Lewis Pair Catalyst Systems","Journal of the American Chemical Society","2009","131","","3454","3455","10.1021/ja8100006","","","1.54178","CuKα","","0.0514","0.0457","","","0.1175","0.1233","","","","","","1.063","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104030","13.6288","0.0002","17.8192","0.0003","14.1609","0.0002","90","","91.922","0.001","90","","3437.1","0.09","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cl2 N2 Zr -","- C36 H48 Cl2 N2 Zr -","- C144 H192 Cl8 N8 Zr4 -","4","1","","Kirill V. Axenov; Gerald Kehr; Roland Fröhlich; Gerhard Erker","Catalytic Hydrogenation of Sensitive Organometallic Compounds by Antagonistic N/B Lewis Pair Catalyst Systems","Journal of the American Chemical Society","2009","131","","3454","3455","10.1021/ja8100006","","","0.71073","MoKα","","0.0822","0.0438","","","0.0866","0.099","","","","","","1.028","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104031","30.1073","0.0002","30.1073","0.0002","30.1073","0.0002","90","","90","","90","","27290.7","0.3","100","2","100","2","","","","","","","","6","F m -3","-F 2 2 3","202","","","","- C192 H240 Br6 Co9 N84 O74 -","- C192 H240 Br6 Co9 N84 O74.04 -","- C768 H960 Br24 Co36 N336 O296.16 -","4","0.0416667","","Man-Li Cao; Jin-Ji Wu; Hao-Jun Mo; Bao-Hui Ye","Template Trapping and Crystal Structure of the Magic Number (H2O)21 Cluster in the Tetrahedral Hole of a Nanoscale Global Ion Packed in a Face-Centered cubic Pattern","Journal of the American Chemical Society","2009","131","","3458","3459","10.1021/ja810107a","","","0.71073","MoKα","","0.1192","0.0682","","","0.1794","0.2023","","","","","","1.005","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104032","30.165","0.003","30.165","0.003","30.165","0.003","90","","90","","90","","27448","5","100","2","100","2","","","","","","","","6","F m -3","-F 2 2 3","202","","","","- C192 H240 Cl6 Co9 N84 O76 -","- C192 H240 Cl6 Co9 N84 O75.956 -","- C768 H960 Cl24 Co36 N336 O303.824 -","4","0.0416667","","Man-Li Cao; Jin-Ji Wu; Hao-Jun Mo; Bao-Hui Ye","Template Trapping and Crystal Structure of the Magic Number (H2O)21 Cluster in the Tetrahedral Hole of a Nanoscale Global Ion Packed in a Face-Centered cubic Pattern","Journal of the American Chemical Society","2009","131","","3458","3459","10.1021/ja810107a","","","0.71073","MoKα","","0.0812","0.0523","","","0.1592","0.173","","","","","","1.009","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104033","18.8589","0.0008","10.4859","0.0005","18.3537","0.0008","90","","104.335","0.003","90","","3516.5","0.3","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C144 H176 N16 O24 -","8","2","","Akihiro Nojiri; Naoya Kumagai; Masakatsu Shibasaki","Linking Structural Dynamics and Functional Diversity in Asymmetric Catalysis","Journal of the American Chemical Society","2009","131","","3779","3784","10.1021/ja900084k","","","1.54187","CuKα","","0.1722","0.1422","","","0.3281","0.3444","","","","","","1.059","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104034","10.3937","0.0003","11.6798","0.0004","45.6145","0.0014","90","","90","","90","","5537.4","0.3","143.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Cl N2 O3 -","- C18 H21 Cl N2 O3 -","- C216 H252 Cl12 N24 O36 -","12","3","","Akihiro Nojiri; Naoya Kumagai; Masakatsu Shibasaki","Linking Structural Dynamics and Functional Diversity in Asymmetric Catalysis","Journal of the American Chemical Society","2009","131","","3779","3784","10.1021/ja900084k","","","1.54187","CuKα","","","0.0849","","","","0.2432","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104035","6.5984","0.0011","12.125","0.002","26.515","0.005","90","","90","","90","","2121.3","0.6","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Br O3 -","- C24 H25 Br O3 -","- C96 H100 Br4 O12 -","4","1","","Minoru Uemura; Iain D. G. Watson; Mikimoto Katsukawa; F. Dean Toste","Gold(I)-Catalyzed Enantioselective Synthesis of Benzopyrans via Rearrangement of Allylic Oxonium Intermediates","Journal of the American Chemical Society","2009","131","","3464","3465","10.1021/ja900155x","","","0.71073","MoKα","","0.0657","0.0387","","","0.0815","0.0935","","","","","","1.007","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104036","8.1385","0.0002","18.5203","0.0006","20.3914","0.0006","90","","90","","90","","3073.54","0.15","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O2 S -","- C18 H15 N O2 S -","- C144 H120 N8 O16 S8 -","8","1","","Xiaodan Zhao; Elena Dimitrijević; Vy M. Dong","Palladium-Catalyzed C-H Bond Functionalization with Arylsulfonyl Chlorides","Journal of the American Chemical Society","2009","131","","3466","3467","10.1021/ja900200g","","","","","","","","","","","","","","","","","","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104037","12.8108","0.0004","13.4663","0.0004","13.3937","0.0004","90","","100.156","0.002","90","","2274.4","0.12","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H9 B F15 N -","- C25 H9 B F15 N -","- C100 H36 B4 F60 N4 -","4","1","","Stephen J. Geier; Douglas W. Stephan","Lutidine/B(C6F5)3: At the Boundary of Classical and Frustrated Lewis Pair Reactivity","Journal of the American Chemical Society","2009","131","","3476","3477","10.1021/ja900572x","","","0.71073","MoKα","","0.0709","0.0494","","","0.1275","0.1475","","","","","","1.055","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104038","17.8525","0.0012","9.8407","0.0007","15.2683","0.001","90","","115.01","0.003","90","","2430.8","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H11 B F15 N -","- C25 H11 B F15 N -","- C100 H44 B4 F60 N4 -","4","1","","Stephen J. Geier; Douglas W. Stephan","Lutidine/B(C6F5)3: At the Boundary of Classical and Frustrated Lewis Pair Reactivity","Journal of the American Chemical Society","2009","131","","3476","3477","10.1021/ja900572x","","","0.71073","MoKα","","0.1085","0.0516","","","0.1311","0.168","","","","","","1.005","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104039","17.4334","0.0009","10.6793","0.0006","14.4679","0.0008","90","","90","","90","","2693.6","0.3","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H17 B F15 N O -","- C29 H17 B F15 N O -","- C116 H68 B4 F60 N4 O4 -","4","1","","Stephen J. Geier; Douglas W. Stephan","Lutidine/B(C6F5)3: At the Boundary of Classical and Frustrated Lewis Pair Reactivity","Journal of the American Chemical Society","2009","131","","3476","3477","10.1021/ja900572x","","","0.71073","MoKα","","0.0524","0.0389","","","0.1063","0.1146","","","","","","1.046","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104040","6.6317","0.0003","13.2907","0.0007","13.6951","0.0007","63.1627","0.0005","76.1838","0.0006","88.7493","0.0006","1040.75","0.09","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 N2 O Si -","- C22 H30 N2 O Si -","- C44 H60 N4 O2 Si2 -","2","1","","David B. C. Martin; Christopher D. Vanderwal","Efficient Access to the Core of the Strychnos, Aspidosperma and Iboga Alkaloids. A Short Synthesis of Norfluorocurarine","Journal of the American Chemical Society","2009","131","","3472","3473","10.1021/ja900640v","","","","","","","","","","","","","","","","","","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104041","17.66","0.006","26.919","0.008","18.596","0.006","90","","105.08","0.005","90","","8536","5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C174 H242 K2 O28 Ta4 -","- C174 H242 K2 O28 Ta4 -","- C348 H484 K4 O56 Ta8 -","2","0.5","","Takahito Watanabe; Yutaka Ishida; Tsukasa Matsuo; Hiroyuki Kawaguchi","Reductive Coupling of Six Carbon Monoxides by a Ditantalum Hydride Complex","Journal of the American Chemical Society","2009","131","","3474","3475","10.1021/ja9007276","","","0.7107","MoKα","","0.1216","0.1003","","","0.1868","0.1975","","","","","","1.261","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104042","13.695","0.005","18.865","0.007","19.053","0.008","115.639","0.003","106.946","0.004","97.7005","0.0016","4047","3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C166 H220 O24 Ta4 -","- C166 H220 O24 Ta4 -","- C166 H220 O24 Ta4 -","1","0.5","","Takahito Watanabe; Yutaka Ishida; Tsukasa Matsuo; Hiroyuki Kawaguchi","Reductive Coupling of Six Carbon Monoxides by a Ditantalum Hydride Complex","Journal of the American Chemical Society","2009","131","","3474","3475","10.1021/ja9007276","","","0.7107","MoKα","","0.096","0.0754","","","0.1954","0.2089","","","","","","1.08","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104043","20.306","0.002","24.091","0.003","34.887","0.004","80.559","0.004","78.017","0.004","73.103","0.003","15876","3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C155 H200 O20 Ta4 -","- C155 H200 O20 Ta4 -","- C620 H800 O80 Ta16 -","4","2","","Takahito Watanabe; Yutaka Ishida; Tsukasa Matsuo; Hiroyuki Kawaguchi","Reductive Coupling of Six Carbon Monoxides by a Ditantalum Hydride Complex","Journal of the American Chemical Society","2009","131","","3474","3475","10.1021/ja9007276","","","0.7107","MoKα","","0.1047","0.0699","","","0.1623","0.1784","","","","","","1.073","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104044","11.1616","0.0009","11.9919","0.0009","15.6096","0.001","90","","90","","90","","2089.3","0.3","85","2","85","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C19 H26 Cl2 F2 N2 Pd -","- C19 H26 Cl2 F2 N2 Pd -","- C76 H104 Cl8 F8 N8 Pd4 -","4","0.5","","Nicholas D. Ball; Melanie S. Sanford","Synthesis and Reactivity of a Mono-σ-Aryl Palladium(IV) Fluoride Complex","Journal of the American Chemical Society","2009","131","","3796","3797","10.1021/ja8054595","","","0.71073","MoKα","","0.0507","0.0386","","","0.1032","0.1102","","","","","","1.095","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104045","17.9592","0.0012","17.5332","0.0012","20.295","0.0014","90","","95.135","0.001","90","","6364.9","0.8","85","2","85","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C57 H65 F4 N4 Pd2 -","- C57 H65 F4 N4 Pd2 -","- C228 H260 F16 N16 Pd8 -","4","1","","Nicholas D. Ball; Melanie S. Sanford","Synthesis and Reactivity of a Mono-σ-Aryl Palladium(IV) Fluoride Complex","Journal of the American Chemical Society","2009","131","","3796","3797","10.1021/ja8054595","","","0.71073","MoKα","","0.07","0.0552","","","0.1553","0.1651","","","","","","1.135","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104046","9.6894","0.0007","12.7681","0.0009","13.8914","0.001","73.672","0.001","77.18","0.001","69.587","0.001","1530.97","0.19","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H41 F5 N2 O2 Pd -","- C30 H41 F5 N2 O2 Pd -","- C60 H82 F10 N4 O4 Pd2 -","2","1","","Nicholas D. Ball; Melanie S. Sanford","Synthesis and Reactivity of a Mono-σ-Aryl Palladium(IV) Fluoride Complex","Journal of the American Chemical Society","2009","131","","3796","3797","10.1021/ja8054595","","","0.71073","MoKα","","0.0526","0.0448","","","0.1019","0.1088","","","","","","1.105","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104047","22.5453","0.0007","10.6236","0.0003","17.5931","0.0006","90","","116.324","0.002","90","","3776.8","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N4 O6 -","- C17 H18 N4 O6 -","- C136 H144 N32 O48 -","8","1","","J. Craig Ruble; Alexander R. Hurd; Timothy A. Johnson; Debra A. Sherry; Michael R. Barbachyn; Peter L. Toogood; Gordon L. Bundy; David R. Graber; Gregg M. Kamilar","Synthesis of (-)-PNU-286607 by Asymmetric Cyclization of Alkylidene Barbiturates","Journal of the American Chemical Society","2009","131","","3991","3997","10.1021/ja808014h","","","1.54178","CuKα","","0.0612","0.0431","","","0.1113","0.1269","","","","","","0.864","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104048","23.5028","0.0004","23.5028","0.0004","12.4607","0.0003","90","","90","","90","","6883.1","0.2","293","2","293","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","Zinc imidazolate 3D framework","","","- C12 H12 N8 Zn2 -","- C12 H12 N8 Zn2 -","- C192 H192 N128 Zn32 -","16","1","","Elinor C. Spencer; Ross J. Angel; Nancy L. Ross; Brian E. Hanson; Judith A. K. Howard","Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study","Journal of the American Chemical Society","2009","131","","4022","4026","10.1021/ja808531m","","","0.71073","MoKα","","0.0485","0.0276","","","0.0401","0.0428","","","","","","0.884","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104049","23.4856","0.0006","23.4856","0.0006","12.4521","0.0007","90","","90","","90","","6868.2","0.5","298","2","298","2","100","1","100","1","","","","4","I 41 c d","I 4bw -2c","110","Zinc Imidazolate","","","- C12 H12 N8 Zn2 -","- C12 H12 N8 Zn2 -","- C192 H192 N128 Zn32 -","16","1","","Elinor C. Spencer; Ross J. Angel; Nancy L. Ross; Brian E. Hanson; Judith A. K. Howard","Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study","Journal of the American Chemical Society","2009","131","","4022","4026","10.1021/ja808531m","","x-ray","0.71073","MoKα","","0.2482","0.0757","","","0.0953","0.1303","","","","","","0.924","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104050","23.3569","0.0005","23.3569","0.0005","12.4441","0.0006","90","","90","","90","","6788.8","0.4","298","2","298","2","92000","5000","92000","5000","","","","4","I 41 c d","I 4bw -2c","110","Zinc Imidazolate","","","- C12 H12 N8 Zn2 -","- C12 H12 N8 Zn2 -","- C192 H192 N128 Zn32 -","16","1","","Elinor C. Spencer; Ross J. Angel; Nancy L. Ross; Brian E. Hanson; Judith A. K. Howard","Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study","Journal of the American Chemical Society","2009","131","","4022","4026","10.1021/ja808531m","","x-ray","0.71073","MoKα","","0.1549","0.056","","","0.0594","0.0794","","","","","","0.839","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104051","23.2297","0.0004","23.2297","0.0004","12.4296","0.0005","90","","90","","90","","6707.2","0.3","298","2","298","2","295000","6000","295000","6000","","","","4","I 41 c d","I 4bw -2c","110","Zinc Imidazolate","","","- C12 H12 N8 Zn2 -","- C12 H12 N8 Zn2 -","- C192 H192 N128 Zn32 -","16","1","","Elinor C. Spencer; Ross J. Angel; Nancy L. Ross; Brian E. Hanson; Judith A. K. Howard","Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study","Journal of the American Chemical Society","2009","131","","4022","4026","10.1021/ja808531m","","x-ray","0.71073","MoKα","","0.2073","0.0552","","","0.0447","0.0584","","","","","","0.854","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104052","23.0474","0.0006","23.0474","0.0006","12.402","0.0007","90","","90","","90","","6587.7","0.4","298","2","298","2","543000","5000","547000","5000","","","","4","I 41 c d","I 4bw -2c","110","Zinc Imidazolate","","","- C12 H12 N8 Zn2 -","- C12 H12 N8 Zn2 -","- C192 H192 N128 Zn32 -","16","1","","Elinor C. Spencer; Ross J. Angel; Nancy L. Ross; Brian E. Hanson; Judith A. K. Howard","Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study","Journal of the American Chemical Society","2009","131","","4022","4026","10.1021/ja808531m","","x-ray","0.71073","MoKα","","0.2677","0.0694","","","0.0818","0.1115","","","","","","0.87","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104053","22.7482","0.0003","22.7482","0.0003","13.0168","0.0003","90","","90","","90","","6735.9","0.2","298","2","298","2","","","","","","","","4","I 41","I 4bw","80","Zinc imidazolate 3D framework","","","- C12 H12 N8 Zn2 -","- C12 H12 N8 Zn2 -","- C192 H192 N128 Zn32 -","16","2","","Elinor C. Spencer; Ross J. Angel; Nancy L. Ross; Brian E. Hanson; Judith A. K. Howard","Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study","Journal of the American Chemical Society","2009","131","","4022","4026","10.1021/ja808531m","","","0.71073","MoKα","","0.0524","0.0382","","","0.0516","0.054","","","","","","0.9","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104054","48.527","0.006","48.527","0.006","48.527","0.006","90","","90","","90","","114275","2","90","2","90","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C29 H27 Cd O6.75 -","- C29 H27 Cd O6.75 -","- C2784 H2592 Cd96 O648 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.90002","synchrotron","","0.0376","0.0369","","","0.0981","0.0989","","","","","","1.062","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104055","48.325","0.006","48.325","0.006","48.325","0.006","90","","90","","90","","112854","2","90","2","90","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C29 H26 Cd O9.25 -","- C29 H26 Cd O9.25 -","- C2784 H2496 Cd96 O888 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.90002","synchrotron","","0.0753","0.0674","","","0.1925","0.1996","","","","","","1.097","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104056","48.85","0.006","48.85","0.006","48.85","0.006","90","","90","","90","","116572","2","90","2","90","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C336 H312 O219 Pb12 -","- C336 H312 O219 Pb12 -","- C2688 H2496 O1752 Pb96 -","8","0.0416667","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.8","synchrotron","","0.0625","0.0612","","","0.1658","0.1672","","","","","","1.042","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4104057","48.535","0.006","48.535","0.006","48.535","0.006","90","","90","","90","","114331","2","90","2","90","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C336 H312 O123 Pb12 -","- C336 H312 O123 Pb12 -","- C2688 H2496 O984 Pb96 -","8","0.0416667","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.9","synchrotron","","0.0959","0.0871","","","0.2487","0.2681","","","","","","1.044","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4104058","48.436","0.006","48.436","0.006","48.436","0.006","90","","90","","90","","113633","2","90","2","90","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C28 H26 Cd O8.25 -","- C28 H26 Cd O8.25 -","- C2688 H2496 Cd96 O792 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.85","synchrotron","","0.0451","0.0434","","","0.1266","0.1282","","","","","","1.088","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104059","48.686","0.006","48.686","0.006","48.686","0.006","90","","90","","90","","115402","2","90","2","90","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C28 H26 Cd0.76 O6.75 Pb0.24 -","- C28 H26 Cd0.76 O6.75 Pb0.24 -","- C2688 H2496 Cd72.96 O648 Pb23.04 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.9","synchrotron","","0.0875","0.08","","","0.2276","0.2398","","","","","","1.077","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104060","48.673","0.006","48.673","0.006","48.673","0.006","90","","90","","90","","115309","2","90","2","90","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C28 H26 Cd0.66 O6.25 Pb0.34 -","- C28 H26 Cd0.66 O6.25 Pb0.34 -","- C2688 H2496 Cd63.36 O600 Pb32.64 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.9","synchrotron","","0.0864","0.0793","","","0.2261","0.2368","","","","","","1.076","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104061","48.827","0.006","48.827","0.006","48.827","0.006","90","","90","","90","","116407","2","90","2","90","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C28 H26 Cd0.58 O7.75 Pb0.42 -","- C28 H26 Cd0.58 O7.75 Pb0.42 -","- C2688 H2496 Cd55.68 O744 Pb40.32 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.9","synchrotron","","0.0882","0.0782","","","0.2247","0.24","","","","","","1.098","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104062","48.947","0.006","48.947","0.006","48.947","0.006","90","","90","","90","","117268","2","90","2","90","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C28 H26 Cd0.38 O5.75 Pb0.62 -","- C28 H26 Cd0.38 O5.75 Pb0.62 -","- C2688 H2496 Cd36.48 O552 Pb59.52 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.9","synchrotron","","0.0873","0.0829","","","0.2395","0.2482","","","","","","1.093","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104063","48.829","0.006","48.829","0.006","48.829","0.006","90","","90","","90","","116422","2","90","2","90","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C28 H26 Cd0.16 O6.25 Pb0.84 -","- C28 H26 Cd0.16 O6.25 Pb0.84 -","- C2688 H2496 Cd15.36 O600 Pb80.64 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.9","synchrotron","","0.0795","0.0765","","","0.2151","0.2209","","","","","","1.101","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104064","48.793","0.006","48.793","0.006","48.793","0.006","90","","90","","90","","116164","2","298","2","298","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C336 H312 O51 Pb12 -","- C336 H312 O51 Pb12 -","- C2688 H2496 O408 Pb96 -","8","0.0416667","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.90001","synchrotron","","0.0824","0.0669","","","0.1801","0.1938","","","","","","1.05","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4104065","49.267","0.006","49.267","0.006","49.267","0.006","90","","90","","90","","119583","3","90","2","90","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C29 H26 Dy O6.75 -","- C29 H26 Dy O6.75 -","- C2784 H2496 Dy96 O648 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.89999","synchrotron","","0.0856","0.0839","","","0.23","0.2324","","","","","","1.114","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104066","15.6934","0.0014","17.4648","0.0014","84.055","0.007","90","","90","","90","","23038","3","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C185 H305 N37 O58 S6 -","- C185 H291 N37 O58 S6 -","- C740 H1164 N148 O232 S24 -","4","1","","Naoki Ousaka; Tomohiro Sato; Reiko Kuroda","Total Helical-Sense Bias of an Achiral Peptide Main Chain Induced by a Chiral Side-Chain Bridge","Journal of the American Chemical Society","2009","131","","3820","3821","10.1021/ja8091714","","","0.71073","MoKα","","0.1218","0.0985","","","0.2056","0.2186","","","","","","1.072","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104067","9.041","0.005","10.005","0.005","12.145","0.005","62.119","0.005","70.696","0.005","85.276","0.005","913","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","dienol","","","- C22 H21 F N0 O3 -","- C22 H21 F O3 -","- C44 H42 F2 O6 -","2","1","","Naohiko Yoshikai; Song-Lin Zhang; Ken-ichi Yamagata; Hayato Tsuji; Eiichi Nakamura","Mechanistic Study of the Manganese-Catalyzed [2 + 2 + 2] Annulation of 1,3-Dicarbonyl Compounds and Terminal Alkynes","Journal of the American Chemical Society","2009","131","","4099","4109","10.1021/ja809202y","","","0.71069","MoKα","","0.0337","0.0314","","","0.0778","0.0798","","","","","","1.012","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104068","13.262","0.0007","13.9991","0.0006","18.9895","0.0008","100.216","0.002","102.279","0.002","102.329","0.002","3272.5","0.3","100","","100","","","","","","","","dichloromethane/pentane","5","P -1","-P 1","2","","tris[2'-(1-adamantylcarbonyl)oxy-1,1'-biphenyl-2-yl]phosphite oxide tris-dichloromethane solute","","- C72 H75 Cl6 O10 P -","- C72 H75 Cl6 O10 P -","- C144 H150 Cl12 O20 P2 -","2","1","","Manfred T. Reetz; Hongchao Guo; Jun-An Ma; Richard Goddard; Richard J. Mynott","Helical Triskelion Monophosphites as Ligands in Asymmetric Catalysis","Journal of the American Chemical Society","2009","131","","4136","4142","10.1021/ja809297a","","","1.54178","CuKα","","0.1906","0.0973","","","0.2505","0.3124","","","","","","0.977","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104069","23.9458","0.0003","23.9458","0.0003","10.7465","0.0002","90","","90","","120","","5336.5","0.14","100","","100","","","","","","","","dichloromethane/pentane","4","R 3 :H","R 3","146","","anti-tris[(R)-2'-(1-adamantylcarbonyl)oxy-1,1'-binaphthyl-2-yl]phosphite","","- C93 H81 O9 P -","- C93 H81 O9 P0.99 -","- C279 H243 O27 P2.97 -","3","0.333333","","Manfred T. Reetz; Hongchao Guo; Jun-An Ma; Richard Goddard; Richard J. Mynott","Helical Triskelion Monophosphites as Ligands in Asymmetric Catalysis","Journal of the American Chemical Society","2009","131","","4136","4142","10.1021/ja809297a","","","1.54178","CuKα","","0.0304","0.0302","","","0.0805","0.0806","","","","","","1.06","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104070","23.8503","0.0006","23.8503","0.0006","10.7465","0.0003","90","","90","","120","","5294","0.2","100","","100","","","","","","","","dichloromethane/ethylacetate/hexane","4","R 3 :H","R 3","146","","anti-tris[(S)-2'-(1-adamantylcarbonyl)oxy-1,1'-binaphthyl-2-yl]phosphite","","- C93 H81 O9 P -","- C93 H81 O9 P0.99 -","- C279 H243 O27 P2.97 -","3","0.333333","","Manfred T. Reetz; Hongchao Guo; Jun-An Ma; Richard Goddard; Richard J. Mynott","Helical Triskelion Monophosphites as Ligands in Asymmetric Catalysis","Journal of the American Chemical Society","2009","131","","4136","4142","10.1021/ja809297a","","","0.71073","MoKα","","0.0531","0.0502","","","0.1368","0.1401","","","","","","1.051","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104071","20.6143","0.0002","20.6143","0.0002","17.9025","0.0003","90","","90","","120","","6588.42","0.14","100","","100","","","","","","","","dichloromethane/pentane","5","P 63","P 6c","173","","tris((2'-phenylcarboxy-1,1'-(S)binaphthalen-2-yl)-oxy)phosphine dichloromethane solute","","- C82 H53 Cl2 O9 P -","- C81 H51 Cl1.995 O9 P -","- C324 H204 Cl7.98 O36 P4 -","4","0.666667","","Manfred T. Reetz; Hongchao Guo; Jun-An Ma; Richard Goddard; Richard J. Mynott","Helical Triskelion Monophosphites as Ligands in Asymmetric Catalysis","Journal of the American Chemical Society","2009","131","","4136","4142","10.1021/ja809297a","","","0.71073","MoKα","","0.0966","0.0765","","","0.1671","0.1784","","","","","","1.077","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104072","22.369","0.003","10.9191","0.0015","19.087","0.003","90","","110.827","0.002","90","","4357.4","1.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jonjt01","","","- C40 H74 Ni2 P4 S -","- C40 H74 Ni2 P4 S -","- C160 H296 Ni8 P16 S4 -","4","1","","Jorge Torres-Nieto; William W. Brennessel; William D. Jones; Juventino J. García","Mechanistic Insights on the Hydrodesulfurization of Biphenyl-2-thiol with Nickel Compounds","Journal of the American Chemical Society","2009","131","","4120","4126","10.1021/ja809457s","","","0.71073","MoKα","","0.0791","0.0447","","","0.0931","0.1079","","","","","","1.02","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104073","30.896","0.004","50.891","0.007","9.0942","0.0013","90","","90","","90","","14299","3","105","0.1","105","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","jonjt03","","","- C38 H50 Ni P2 S2 -","- C38 H50 Ni P2 S2 -","- C608 H800 Ni16 P32 S32 -","16","1","","Jorge Torres-Nieto; William W. Brennessel; William D. Jones; Juventino J. García","Mechanistic Insights on the Hydrodesulfurization of Biphenyl-2-thiol with Nickel Compounds","Journal of the American Chemical Society","2009","131","","4120","4126","10.1021/ja809457s","","","0.71073","MoKα","","0.0758","0.0471","","","0.0768","0.0863","","","","","","1.012","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104074","11.564","0.004","23.307","0.008","14.844","0.006","90","","102.17","0.006","90","","3911","2","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H33 B Cu F4 N5 -","- C50 H33 B Cu F4 N5 -","- C200 H132 B4 Cu4 F16 N20 -","4","1","","Kuniharu Nomoto; Shoko Kume; Hiroshi Nishihara","A Single Molecular System Gating Electron Transfer by Ring Inversion of a Methylpyridylpyrimidine Ligand on Copper","Journal of the American Chemical Society","2009","131","","3830","3831","10.1021/ja8097564","","","0.71073","MoKα","","0.1095","0.094","","","0.2512","0.2656","","","","","","1.14","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104075","12.9114","0.0009","16.8578","0.0012","17.6005","0.0012","79.481","0.001","74.323","0.001","80.225","0.001","3596.9","0.4","100","2","293","2","","","","","","","","8","P -1","-P 1","2","{[BP2]Cu(NTol2)}{Li(12-crown-4)2}","","","- C70.57 H118.12 B Cu Li N O10.02 P2 -","- C70.568 H118.12 B Cu Li N O10.019 P2 -","- C141.136 H236.24 B2 Cu2 Li2 N2 O20.038 P4 -","2","1","","Neal P. Mankad; William E. Antholine; Robert K. Szilagyi; Jonas C. Peters","Three-Coordinate Copper(I) Amido and Aminyl Radical Complexes","Journal of the American Chemical Society","2009","131","","3878","3880","10.1021/ja809834k","","","0.71073","MoKα","","0.082","0.0518","","","0.1274","0.1458","","","","","","1.015","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104076","16.3201","0.0018","16.3538","0.0018","18.849","0.002","90","","91.277","0.002","90","","5029.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[BP2]Cu(NTol2)","","","- C52.42 H80.84 B Cu N P2 -","- C52.42 H80.84 B Cu N P2 -","- C209.68 H323.36 B4 Cu4 N4 P8 -","4","1","","Neal P. Mankad; William E. Antholine; Robert K. Szilagyi; Jonas C. Peters","Three-Coordinate Copper(I) Amido and Aminyl Radical Complexes","Journal of the American Chemical Society","2009","131","","3878","3880","10.1021/ja809834k","","","0.71073","MoKα","","0.0807","0.0606","","","0.1667","0.1813","","","","","","1.282","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104077","10.575","0.015","21.6","0.03","16.5","0.02","90","","96.41","0.02","90","","3745","9","100","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H59 B Cu N P2 -","- C42 H59 B Cu N P2 -","- C168 H236 B4 Cu4 N4 P8 -","4","1","","Neal P. Mankad; William E. Antholine; Robert K. Szilagyi; Jonas C. Peters","Three-Coordinate Copper(I) Amido and Aminyl Radical Complexes","Journal of the American Chemical Society","2009","131","","3878","3880","10.1021/ja809834k","","","0.71073","MoKα","","0.2077","0.1187","","","0.2839","0.3511","","","","","","1.021","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104078","11.3014","0.0011","15.7553","0.0013","15.7553","0.0013","90","","90","","90","","2805.3","0.4","100","2","100","2","","","","","","","","5","P m m m","-P 2 2","47","","","","- C65 H113 N15 O19 Zn -","- C24 H17 N O6 Zn -","- C48 H34 N2 O12 Zn2 -","2","0.25","","Karen L. Mulfort; Omar K. Farha; Charlotte L. Stern; Amy A. Sarjeant; Joseph T. Hupp","Post-Synthesis Alkoxide Formation Within Metal-Organic Framework Materials: A Strategy for Incorporating Highly Coordinatively Unsaturated Metal Ions","Journal of the American Chemical Society","2009","131","","3866","3868","10.1021/ja809954r","","","0.71073","MoKα","","0.1477","0.1078","","","0.2575","0.2723","","","","","","0.793","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104079","5.916","0.004","7.695","0.005","21.225","0.013","90","","92.434","0.008","90","","965.4","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 Br O3 -","- C22 H21 Br O3 -","- C44 H42 Br2 O6 -","2","1","","Ismail Ibrahem; Miao Yu; Richard R. Schrock; Amir H. Hoveyda","Highly Z- and Enantioselective Ring-Opening/Cross-Metathesis Reactions Catalyzed by Stereogenic-at-Mo Adamantylimido Complexes","Journal of the American Chemical Society","2009","131","","3844","3845","10.1021/ja900097n","","","0.71073","MoKα","","0.0438","0.0378","","","0.0899","0.0931","","","","","","1.011","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104080","9.6892","0.001","9.9873","0.001","10.4863","0.0011","78.256","0.002","64.72","0.001","75.357","0.002","882.45","0.16","130","2","130","2","","","","","","","","6","P 1","P 1","1","KB-VI-67","ellman01","","- C16 H24 Cl N O S -","- C16 H24 Cl N O S -","- C32 H48 Cl2 N2 O2 S2 -","2","2","","Katrien Brak; Jonathan A. Ellman","Asymmetric Synthesis of α-Branched Allylic Amines by the Rh(I)-Catalyzed Addition of Alkenyltrifluoroborates to N-tert-Butanesulfinyl Aldimines","Journal of the American Chemical Society","2009","131","","3850","3851","10.1021/ja9002603","","","0.71073","MoKα","","0.0841","0.0534","","","0.1047","0.1213","","","","","","1.033","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4104081","10.4365","0.0007","17.1594","0.0012","20.0884","0.0013","90","","90","","90","","3597.5","0.4","153","1","153","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H39 N2 O7 P S2 -","- C36 H39 N2 O7 P S2 -","- C144 H156 N8 O28 P4 S8 -","4","1","","Jiming Zhang; Hua Wang; Ming Xian","An Unexpected Bis-ligation of S-Nitrosothiols","Journal of the American Chemical Society","2009","131","","3854","3855","10.1021/ja900370y","","","0.71073","MoKα","","0.0457","0.0447","","","0.1175","0.1184","","","","","","1.123","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104082","30.36","0.001","12.775","0.0004","13.5826","0.0004","90","","90","","90","","5268","0.3","","","623","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 I3 N6 Zn1.5 -","- C18 I3 N6 Zn1.25 -","- C144 I24 N48 Zn10 -","8","1","","Kazuaki Ohara; Javier Martí-Rujas; Tsuyoshi Haneda; Masaki Kawano; Daisuke Hashizume; Fujio Izumi; Makoto Fujita","Formation of a Thermally Stable, Porous Coordination Network via a Crystalline-to-Amorphous-to-Crystalline Phase Transition","Journal of the American Chemical Society","2009","131","","3860","3861","10.1021/ja9005145","powder diffraction","","0.9948","Synchrotron","","","0.0159","","","0.0209","","","","","","","","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104083","12.8366","0.0006","33.108","0.001","6.2214","0.0003","90","","99.818","0.003","90","","2605.33","0.19","","","95","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 I6 N13 O2 Zn3 -","- C42 I6 N13 O2 Zn3 -","- C84 I12 N26 O4 Zn6 -","2","1","","Kazuaki Ohara; Javier Martí-Rujas; Tsuyoshi Haneda; Masaki Kawano; Daisuke Hashizume; Fujio Izumi; Makoto Fujita","Formation of a Thermally Stable, Porous Coordination Network via a Crystalline-to-Amorphous-to-Crystalline Phase Transition","Journal of the American Chemical Society","2009","131","","3860","3861","10.1021/ja9005145","powder diffraction","","0.99967","Synchrotron","","","0.0262","","","0.0364","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104084","26.251","0.002","9.4449","0.0008","18.2801","0.0016","90","","105.527","0.002","90","","4366.9","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 B10 Zr -","- C18 H30 B10 Zr -","- C144 H240 B80 Zr8 -","8","1","","Shikuo Ren; Hoi-Shan Chan; Zuowei Xie","Synthesis, Structure, and Reactivity of Zirconacyclopentene Incorporating a Carboranyl Unit","Journal of the American Chemical Society","2009","131","","3862","3863","10.1021/ja900563u","","","0.71073","MoKα","","0.041","0.0315","","","0.0782","0.0844","","","","","","1.048","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104085","10.182","0.002","17.545","0.004","10.182","0.002","90","","107.19","","90","","1737.7","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 B10 -","- C14 H24 B10 -","- C56 H96 B40 -","4","1","","Shikuo Ren; Hoi-Shan Chan; Zuowei Xie","Synthesis, Structure, and Reactivity of Zirconacyclopentene Incorporating a Carboranyl Unit","Journal of the American Chemical Society","2009","131","","3862","3863","10.1021/ja900563u","","","0.71073","MoKα","","0.1112","0.0665","","","0.1594","0.1813","","","","","","1.019","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104086","10.2301","0.0017","18.885","0.003","16.192","0.003","90","","100.104","0.003","90","","3079.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28.5 H39 B10 N Zr -","- C28.5 H35 B10 N Zr -","- C114 H140 B40 N4 Zr4 -","4","1","","Shikuo Ren; Hoi-Shan Chan; Zuowei Xie","Synthesis, Structure, and Reactivity of Zirconacyclopentene Incorporating a Carboranyl Unit","Journal of the American Chemical Society","2009","131","","3862","3863","10.1021/ja900563u","","","0.71073","MoKα","","0.0618","0.0419","","","0.1056","0.1195","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104087","8.217","0.0002","9.3974","0.0002","21.2212","0.0006","96.417","0.001","95.858","0.001","110.434","0.001","1508.32","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H39 B10 N Zr -","- C27 H39 B10 N Zr -","- C54 H78 B20 N2 Zr2 -","2","1","","Shikuo Ren; Hoi-Shan Chan; Zuowei Xie","Synthesis, Structure, and Reactivity of Zirconacyclopentene Incorporating a Carboranyl Unit","Journal of the American Chemical Society","2009","131","","3862","3863","10.1021/ja900563u","","","0.71073","MoKα","","0.0358","0.0282","","","0.0703","0.0742","","","","","","1.017","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104088","7.3767","0.0006","10.9197","0.0009","15.7341","0.0014","90","","90","","90","","1267.4","0.19","153","1","153","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 N O4 S -","- C14 H9 N O4 S -","- C56 H36 N4 O16 S4 -","4","1","","Takeo Fukuzumi; Jeffrey W. Bode","A Reagent for the Convenient, Solid-Phase Synthesis of N-Terminal Peptide Hydroxylamines for Chemoselective Ligations","Journal of the American Chemical Society","2009","131","","3864","3865","10.1021/ja900601c","","","0.71073","MoKα","","0.029","0.0284","","","0.0684","0.0692","","","","","","1.123","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104089","9.819","0.002","10.829","0.002","11.772","0.003","90.172","0.004","105.664","0.003","102.286","0.003","1175.2","0.4","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","","","- C32 H30 -","- C32 H30 -","- C64 H60 -","2","1","","Andrea Lucotti; Matteo Tommasini; Daniele Fazzi; Mirella Del Zoppo; Wesley A. Chalifoux; Michael J. Ferguson; Giuseppe Zerbi; Rik R. Tykwinski","Evidence for Solution-State Nonlinearity of sp-Carbon Chains Based on IR and Raman Spectroscopy: Violation of Mutual Exclusion","Journal of the American Chemical Society","2009","131","","4239","4244","10.1021/ja078198b","","","0.71073","MoKα","","0.0816","0.0544","","","0.1346","0.1551","","","","","","1.04","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104090","17.0112","0.0015","12.7895","0.0012","11.8476","0.0011","90","","97.322","0.001","90","","2556.6","0.4","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 O -","- C32 H38 O -","- C128 H152 O4 -","4","0.5","","Andrea Lucotti; Matteo Tommasini; Daniele Fazzi; Mirella Del Zoppo; Wesley A. Chalifoux; Michael J. Ferguson; Giuseppe Zerbi; Rik R. Tykwinski","Evidence for Solution-State Nonlinearity of sp-Carbon Chains Based on IR and Raman Spectroscopy: Violation of Mutual Exclusion","Journal of the American Chemical Society","2009","131","","4239","4244","10.1021/ja078198b","","","0.71073","MoKα","","0.0828","0.0658","","","0.1856","0.2112","","","","","","1.047","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104091","9.439","0.0019","17.257","0.004","13.365","0.003","90","","93.96","0.03","90","","2171.8","0.8","301","2","301","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H64 N2 O7 Ru -","- C41 H52 N2 O7 Ru -","- C82 H104 N4 O14 Ru2 -","2","1","","Zhen-Jiang Xu; Ran Fang; Cunyuan Zhao; Jie-Sheng Huang; Gong-Yong Li; Nianyong Zhu; Chi-Ming Che","cis-β-Bis(carbonyl) Ruthenium-Salen Complexes: X-ray Crystal Structures and Remarkable Catalytic Properties toward Asymmetric Intramolecular Alkene Cyclopropanation","Journal of the American Chemical Society","2009","131","","4405","4417","10.1021/ja8086399","","","0.71073","MoKα","","0.0731","0.0497","","","0.1118","0.1194","","","","","","0.816","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104092","11.893","0.002","12.535","0.003","19.076","0.004","90","","90","","90","","2843.8","1","301","2","301","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N2 O4 Ru -","- C30 H36 N2 O4 Ru -","- C120 H144 N8 O16 Ru4 -","4","1","","Zhen-Jiang Xu; Ran Fang; Cunyuan Zhao; Jie-Sheng Huang; Gong-Yong Li; Nianyong Zhu; Chi-Ming Che","cis-β-Bis(carbonyl) Ruthenium-Salen Complexes: X-ray Crystal Structures and Remarkable Catalytic Properties toward Asymmetric Intramolecular Alkene Cyclopropanation","Journal of the American Chemical Society","2009","131","","4405","4417","10.1021/ja8086399","","","0.71073","MoKα","","0.0268","0.0261","","","0.0765","0.077","","","","","","1.172","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104093","15.678","0.003","16.111","0.003","20.109","0.004","85.14","0.03","88.56","0.03","68.73","0.03","4716.2","1.9","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C52.5 H55 Cl N2 O4 Ru -","- C52.5 H55 Cl N2 O4 Ru -","- C210 H220 Cl4 N8 O16 Ru4 -","4","2","","Zhen-Jiang Xu; Ran Fang; Cunyuan Zhao; Jie-Sheng Huang; Gong-Yong Li; Nianyong Zhu; Chi-Ming Che","cis-β-Bis(carbonyl) Ruthenium-Salen Complexes: X-ray Crystal Structures and Remarkable Catalytic Properties toward Asymmetric Intramolecular Alkene Cyclopropanation","Journal of the American Chemical Society","2009","131","","4405","4417","10.1021/ja8086399","","","0.71073","MoKα","","0.0873","0.0421","","","0.0928","0.0989","","","","","","0.76","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104094","13.807","0.002","37.015","0.005","25.127","0.005","90","","100.764","0.009","90","","12616","4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C128 H182 Br3 N20 O3 Tb -","- C128 H182 Br3 N20 O3 Tb -","- C512 H728 Br12 N80 O12 Tb4 -","4","1","","Francesca Branzoli; Pietro Carretta; Marta Filibian; Giorgio Zoppellaro; Michael J. Graf; Jose R. Galan-Mascaros; Olaf Fuhr; Susan Brink; Mario Ruben","Spin Dynamics in the Negatively Charged Terbium (III) Bis-phthalocyaninato Complex","Journal of the American Chemical Society","2009","131","","4387","4396","10.1021/ja808649g","","","0.3425","synchrotron","","0.1136","0.0679","","","0.1569","0.1753","","","","","","1.03","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104095","9.7076","0.0004","16.4786","0.0007","12.0871","0.0006","90","","101.802","0.004","90","","1892.67","0.15","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Hf -","- C24 H32 Hf -","- C96 H128 Hf4 -","4","1","","Torsten Beweries; Christian Fischer; Stephan Peitz; Vladimir V. Burlakov; Perdita Arndt; Wolfgang Baumann; Anke Spannenberg; Detlef Heller; Uwe Rosenthal","Combination of Spectroscopic Methods: In Situ NMR and UV/Vis Measurements To Understand the Formation of Group 4 Metallacyclopentanes from the Corresponding Metallacyclopropenes","Journal of the American Chemical Society","2009","131","","4463","4469","10.1021/ja809368s","","","0.71073","MoKα","","0.0227","0.017","","","0.0384","0.0393","","","","","","1.026","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104096","38.6584","0.0015","38.6584","0.0015","38.6584","0.0015","90","","90","","90","","57774","4","150","2","150","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C176 H532 Ge7 Mn12 N44 O360 W72 -","- C193.2 Ge7 Mn12 O286 W72 -","- C772.8 Ge28 Mn48 O1144 W288 -","4","0.0833333","","Johannes Thiel; Chris Ritchie; Carsten Streb; De-Liang Long; Leroy Cronin","Heteroatom-Controlled Kinetics of Switchable Polyoxometalate Frameworks","Journal of the American Chemical Society","2009","131","","4180","4181","10.1021/ja809422k","","","0.71073","MoKα","","0.0792","0.0572","","","0.1464","0.1545","","","","","","0.929","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104097","39.2899","0.0006","39.2899","0.0006","39.2899","0.0006","90","","90","","90","","60651.7","1.6","150","2","150","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C190 H538 Ge7 Mn12 N40 O386 W72 -","- C228 Ge7 Mn12 O275.2 W72 -","- C912 Ge28 Mn48 O1100.8 W288 -","4","0.0833333","","Johannes Thiel; Chris Ritchie; Carsten Streb; De-Liang Long; Leroy Cronin","Heteroatom-Controlled Kinetics of Switchable Polyoxometalate Frameworks","Journal of the American Chemical Society","2009","131","","4180","4181","10.1021/ja809422k","","","1.54184","CuKα","","0.1766","0.12","","","0.3157","0.3592","","","","","","1.084","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104098","42.1589","0.0008","42.1589","0.0008","52.5682","0.001","90","","90","","120","","80916","3","95","2","95","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C132 H66 O39 S6 Zn12 -","- C130.928 H66 O39 S7.072 Zn12 -","- C785.568 H396 O234 S42.432 Zn72 -","6","0.5","","Kyoungmoo Koh; Antek G. Wong-Foy; Adam J. Matzger","A Porous Coordination Copolymer with over 5000 m2/g BET Surface Area","Journal of the American Chemical Society","2009","131","","4184","4185","10.1021/ja809985t","","","1.54187","CuKα","","0.132","0.0773","","","0.1899","0.2136","","","","","","0.979","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104099","15.619","0.004","13.467","0.003","18.643","0.005","90","","113.326","0.003","90","","3600.9","1.6","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H37 N5 -","- C48 H37 N5 -","- C192 H148 N20 -","4","1","","Yuta Kishimoto; Jiro Abe","A Fast Photochromic Molecule That Colors Only under UV Light","Journal of the American Chemical Society","2009","131","","4227","4229","10.1021/ja810032t","","","0.71073","MoKα","","0.0562","0.0414","","","0.0936","0.1014","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104100","5.6878","0.0002","5.6878","0.0002","8.2258","0.0002","90","","90","","90","","266.113","0.015","294","2","294","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- Eu K Na O5 Ta -","- Eu K Na O5 Ta -","- Eu2 K2 Na2 O10 Ta2 -","2","0.125","","Irina P. Roof; Mark D. Smith; Sangmoon Park; Hans-Conrad zur Loye","EuKNaTaO5: Crystal Growth, Structure and Photoluminescence Property","Journal of the American Chemical Society","2009","131","","4202","4203","10.1021/ja8100769","","","0.71073","MoKα","","0.0202","0.018","","","0.0389","0.0401","","","","","","1.168","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104101","6.2669","","9.2991","","15.9031","","69.1766","","80.9397","","86.5353","","855.423","","173.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C46 H36 N4 O4 -","2","1","","Itaru Nakamura; Yusuke Sato; Masahiro Terada","Platinum-Catalyzed Dehydroalkoxylation-Cyclization Cascade via N-O Bond Cleavage","Journal of the American Chemical Society","2009","131","","4198","4199","10.1021/ja900174t","","","0.7107","MoKα","","","0.0645","","","","0.2228","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104102","11.569","0.013","15.447","0.016","21.19","0.02","76.794","0.012","79.025","0.014","89.615","0.011","3617","7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H48 F10 N8 O11 Zn3 -","- C82 H48 F10 N8 O11 Zn3 -","- C82 H48 F10 N8 O11 Zn3 -","1","0.5","","Abraham M. Shultz; Omar K. Farha; Joseph T. Hupp; SonBinh T. Nguyen","A Catalytically Active, Permanently Microporous MOF with Metalloporphyrin Struts","Journal of the American Chemical Society","2009","131","","4204","4205","10.1021/ja900203f","","","0.71073","MoKα","","0.2097","0.1095","","","0.3315","0.3818","","","","","","1.095","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104103","14.4252","0.0008","14.2019","0.0008","26.7176","0.0015","90","","94.957","0.003","90","","5453","0.5","89","2","89","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H82 Mg2 N4 -","- C58 H82 Mg2 N4 -","- C232 H328 Mg8 N16 -","4","1","","Jacob Overgaard; Cameron Jones; Andreas Stasch; Bo B. Iversen","Experimental Electron Density Study of the Mg-Mg Bonding Character in a Magnesium(I) Dimer","Journal of the American Chemical Society","2009","131","","4208","4209","10.1021/ja900385u","","x-ray","0.71073","MoKα","","0.0475","0.037","","","","0.0678","","","","","","1.476","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104104","13.138","0.002","13.301","0.002","15.464","0.004","105.16","0.003","100.332","0.003","115.281","0.002","2223.5","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H144 K2 Mg2 N4 O8 -","- C88 H144 K2 Mg2 N4 O8 -","- C88 H144 K2 Mg2 N4 O8 -","1","0.5","","Yanyan Liu; Shaoguang Li; Xiao-Juan Yang; Peiju Yang; Biao Wu","Magnesium-Magnesium Bond Stabilized by a Doubly Reduced α-Diimine: Synthesis and Structure of [K(THF)3]2[LMg-MgL] (L = [(2,6-iPr2C6H3)NC(Me)]22-)","Journal of the American Chemical Society","2009","131","","4210","4211","10.1021/ja900568c","","","0.71073","MoKα","","0.1019","0.0633","","","0.1723","0.2011","","","","","","1.033","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104105","9.3464","0.0012","9.6524","0.0012","17.381","0.002","91.468","0.002","99.123","0.002","95.298","0.002","1540.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 F3 P2 Rh -","- C37 H30 F3 P2 Rh -","- C74 H60 F6 P4 Rh2 -","2","1","","Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Fluxionality of [(Ph3P)3Rh(X)]: The Extreme Case of X = CF3","Journal of the American Chemical Society","2009","131","","4236","4238","10.1021/ja9005699","","","0.71073","MoKα","","0.05","0.0388","","","0.0935","0.0997","","","","","","1.031","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104106","9.1363","0.0005","37.72","0.002","9.7614","0.0006","90","","110.106","0.001","90","","3159","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 F3 P2 Rh -","- C37 H30 F3 P2 Rh -","- C148 H120 F12 P8 Rh4 -","4","1","","Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Fluxionality of [(Ph3P)3Rh(X)]: The Extreme Case of X = CF3","Journal of the American Chemical Society","2009","131","","4236","4238","10.1021/ja9005699","","","0.71073","MoKα","","0.0996","0.0505","","","0.0992","0.1189","","","","","","1.04","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104107","19.926","0.003","12.729","0.0016","17.631","0.002","90","","90","","90","","4471.9","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C55 H45 F3 P3 Rh -","- C55 H45 F3 P3 Rh -","- C220 H180 F12 P12 Rh4 -","4","1","","Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Fluxionality of [(Ph3P)3Rh(X)]: The Extreme Case of X = CF3","Journal of the American Chemical Society","2009","131","","4236","4238","10.1021/ja9005699","","","0.71073","MoKα","","0.0333","0.027","","","0.0569","0.0598","","","","","","1.031","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104108","9.261","0.004","10.51","0.004","18.064","0.007","76.432","0.008","80.403","0.019","65.506","0.008","1550.5","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H30 F O P2 Rh -","- C37 H30 F O P2 Rh -","- C74 H60 F2 O2 P4 Rh2 -","2","1","","Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Fluxionality of [(Ph3P)3Rh(X)]: The Extreme Case of X = CF3","Journal of the American Chemical Society","2009","131","","4236","4238","10.1021/ja9005699","","","0.71073","MoKα","","0.0427","0.034","","","0.0849","0.0899","","","","","","1.057","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104109","11.4848","0.0014","18.012","0.002","17.4575","0.0017","90","","114.692","0.006","90","","3281.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H33 F O P2 Rh -","- C40 H33 F O P2 Rh -","- C160 H132 F4 O4 P8 Rh4 -","4","1","","Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Fluxionality of [(Ph3P)3Rh(X)]: The Extreme Case of X = CF3","Journal of the American Chemical Society","2009","131","","4236","4238","10.1021/ja9005699","","","0.71073","MoKα","","0.044","0.0318","","","0.0745","0.0806","","","","","","1.043","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104110","9.1637","0.0012","7.3171","0.0008","10.012","0.0014","90","","99.744","0.01","90","","661.64","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H18 Br N O -","- C13 H18 Br N O -","- C26 H36 Br2 N2 O2 -","2","1","","Jian-Hua Xie; Sheng Liu; Wei-Ling Kong; Wen-Ju Bai; Xiao-Chen Wang; Li-Xin Wang; Qi-Lin Zhou","Highly Enantioselective and Diastereoselective Synthesis of Chiral Amino Alcohols by Ruthenium-Catalyzed Asymmetric Hydrogenation of α-Amino Aliphatic Ketones","Journal of the American Chemical Society","2009","131","","4222","4223","10.1021/ja901058u","","","0.7107","MoKα","","0.0601","0.0273","","","0.0509","0.0594","","","","","","0.861","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104111","9.232","0.003","9.528","0.003","11.026","0.004","90","","93.783","0.005","90","","967.8","0.6","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H23 Br N2 O2 S -","- C19 H23 Br N2 O2 S -","- C38 H46 Br2 N4 O4 S2 -","2","1","","Jian-Hua Xie; Sheng Liu; Wei-Ling Kong; Wen-Ju Bai; Xiao-Chen Wang; Li-Xin Wang; Qi-Lin Zhou","Highly Enantioselective and Diastereoselective Synthesis of Chiral Amino Alcohols by Ruthenium-Catalyzed Asymmetric Hydrogenation of α-Amino Aliphatic Ketones","Journal of the American Chemical Society","2009","131","","4222","4223","10.1021/ja901058u","","","0.7107","MoKα","","0.0378","0.0255","","","0.0472","0.0492","","","","","","0.856","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104112","7.6356","0.0015","11.305","0.002","28.065","0.006","90","","93.03","0.03","90","","2419.2","0.8","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C112 H96 Cl8 N8 O16 -","8","2","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Polymer-Induced Heteronucleation of Tolfenamic Acid: Structural Investigation of a Pentamorph","Journal of the American Chemical Society","2009","131","","4554","4555","10.1021/ja806289a","","","0.71073","MoKα","","0.0488","0.0448","","","0.1169","0.1208","","","","","","1.057","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104113","7.5237","0.0008","14.3308","0.0016","17.592","0.002","103.68","0.002","98.253","0.002","93.038","0.002","1816.4","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C84 H72 Cl6 N6 O12 -","6","3","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Polymer-Induced Heteronucleation of Tolfenamic Acid: Structural Investigation of a Pentamorph","Journal of the American Chemical Society","2009","131","","4554","4555","10.1021/ja806289a","","","0.71073","MoKα","","0.0888","0.0723","","","0.1658","0.1752","","","","","","1.109","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104114","7.6488","0.0013","9.016","0.0015","9.4184","0.0015","107.385","0.003","92.062","0.003","101.662","0.003","603.81","0.17","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C28 H24 Cl2 N2 O4 -","2","1","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Polymer-Induced Heteronucleation of Tolfenamic Acid: Structural Investigation of a Pentamorph","Journal of the American Chemical Society","2009","131","","4554","4555","10.1021/ja806289a","","","0.71073","MoKα","","0.0933","0.0658","","","0.1257","0.1374","","","","","","1.037","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104115","13.8094","0.0009","15.6034","0.0008","15.091","0.001","90","","100.736","0.004","90","","3194.8","0.3","93.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C31 H29 Br4 Fe N4 O2 -","- C31 H29 Br4 Fe N4 O2 -","- C124 H116 Br16 Fe4 N16 O8 -","4","1","","Yuki Masuda; Masato Kuratsu; Shuichi Suzuki; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Yuko Hosokoshi; Xiao-Zheng Lan; Yuji Miyazaki; Akira Inaba; Keiji Okada","A New Ferrimagnet Based on a Radical-Substituted Radical Cation Salt","Journal of the American Chemical Society","2009","131","","4670","4673","10.1021/ja808093z","","","0.7107","MoKα","","","0.0443","","","","0.067","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104116","8.092","0.0002","9.351","0.0003","13.391","0.0004","96.331","0.0011","100.918","0.0011","94.608","0.0014","983.53","0.05","130","2","130","2","","","","","","","","7","P -1","-P 1","2","etsai1","etsai1","","- C20 H16 B F4 N4 O2 V -","- C20 H16 B F4 N4 O2 V -","- C40 H32 B2 F8 N8 O4 V2 -","2","1","","Christopher R. Waidmann; Xin Zhou; Erin A. Tsai; Werner Kaminsky; David A. Hrovat; Weston Thatcher Borden; James M. Mayer","Slow Hydrogen Atom Transfer Reactions of Oxo- and Hydroxo-Vanadium Compounds: The Importance of Intrinsic Barriers","Journal of the American Chemical Society","2009","131","","4729","4743","10.1021/ja808698x","","","0.71073","MoKα","","0.0592","0.0443","","","0.1132","0.1228","","","","","","1.047","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104117","11.677","0.002","16.749","0.003","20.009","0.004","90","","94.81","0.03","90","","3899.5","1.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C184 H176 N16 O24 -","8","2","","Pauline N. Wyrembak; Andrew D. Hamilton","Alkyne-Linked 2,2-Disubstituted-indolin-3-one Oligomers as Extended β-Strand Mimetics","Journal of the American Chemical Society","2009","131","","4566","4567","10.1021/ja809245t","","","0.71073","MoKα","","0.1773","0.0628","","","0.099","0.1213","","","","","","1.011","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104118","16.3702","0.0003","17.3857","0.0003","10.7245","0.0002","90","","106.041","0.001","90","","2933.43","0.09","93.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 N3 O4 -","- C35 H31 N3 O4 -","- C140 H124 N12 O16 -","4","1","","Pauline N. Wyrembak; Andrew D. Hamilton","Alkyne-Linked 2,2-Disubstituted-indolin-3-one Oligomers as Extended β-Strand Mimetics","Journal of the American Chemical Society","2009","131","","4566","4567","10.1021/ja809245t","","","0.71075","MoKα","","","0.0952","","","","0.2779","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104119","18.2715","0.0003","18.2715","0.0003","17.0912","0.0003","90","","90","","90","","5705.86","0.17","143","2","143","2","","","","","","","","4","P 4","P 4","75","","","","- C28 H6 Cu2 O11 -","- C28 H6 Cu2 O11 -","- C112 H24 Cu8 O44 -","4","1","","Liqing Ma; David J. Mihalcik; Wenbin Lin","Highly Porous and Robust 4,8-Connected Metal-Organic Frameworks for Hydrogen Storage","Journal of the American Chemical Society","2009","131","","4610","4612","10.1021/ja809590n","","","1.54178","CuKα","","0.0697","0.0563","","","0.1473","0.1564","","","","","","0.936","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104120","18.2959","0.0003","18.2959","0.0003","17.1099","0.0003","90","","90","","90","","5727.37","0.17","200","2","200","2","","","","","","","","4","P 4","P 4","75","","","","- C28 H6 Cu2 O11 -","- C28 H6 Cu2 O11 -","- C112 H24 Cu8 O44 -","4","1","","Liqing Ma; David J. Mihalcik; Wenbin Lin","Highly Porous and Robust 4,8-Connected Metal-Organic Frameworks for Hydrogen Storage","Journal of the American Chemical Society","2009","131","","4610","4612","10.1021/ja809590n","","","1.54178","CuKα","","0.065","0.0546","","","0.1519","0.1606","","","","","","1.02","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104121","18.0725","0.0009","18.0725","0.0009","17.1854","0.0011","90","","90","","90","","5613","0.5","200","2","200","2","","","","","","","","4","P 4","P 4","75","","","","- C26 H6 Cu2 O11 -","- C26 H6 Cu2 O11 -","- C104 H24 Cu8 O44 -","4","1","","Liqing Ma; David J. Mihalcik; Wenbin Lin","Highly Porous and Robust 4,8-Connected Metal-Organic Frameworks for Hydrogen Storage","Journal of the American Chemical Society","2009","131","","4610","4612","10.1021/ja809590n","","","1.54178","CuKα","","0.1262","0.0644","","","0.1424","0.1614","","","","","","0.842","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104122","18.0648","0.0012","18.0648","0.0012","17.1132","0.0012","90","","90","","90","","5584.7","0.7","200","2","200","2","","","","","","","","4","P 4","P 4","75","","","","- C33 H6 Cu2 O11 -","- C33 H6 Cu2 O11 -","- C132 H24 Cu8 O44 -","4","1","","Liqing Ma; David J. Mihalcik; Wenbin Lin","Highly Porous and Robust 4,8-Connected Metal-Organic Frameworks for Hydrogen Storage","Journal of the American Chemical Society","2009","131","","4610","4612","10.1021/ja809590n","","","1.54178","CuKα","","0.1295","0.0774","","","0.1899","0.2113","","","","","","1.012","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104123","28.127","0.013","28.127","","8.879","0.0026","90","","90","","90","","7024","4","298","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C41 H28 N4 -","- C41 H28 N4 -","- C164 H112 N16 -","4","0.25","","Fernando J. Uribe-Romo; Joseph R. Hunt; Hiroyasu Furukawa; Cornelius Klöck; Michael O'Keeffe; Omar M. Yaghi","A Crystalline Imine-Linked 3-D Porous Covalent Organic Framework","Journal of the American Chemical Society","2009","131","","4570","4571","10.1021/ja8096256","powder diffraction","x-ray","1.54059","Kα~1~","","","","","","","","11.91","","11.91","","","","","","","has coordinates,has Fobs","178787","2020-10-21","18:00:00",""
"4104124","6.8576","0.0002","6.8576","0.0002","8.2251","0.0004","90","","90","","120","","334.98","0.02","295","","295","","","","","","","","","5","P 3 1 2","P 3 2","149","","","","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","1","0.166667","","Jasmine L. Korčok; Michael J. Katz; Daniel B. Leznoff","Impact of Metallophilicity on ""Colossal"" Positive and Negative Thermal Expansion in a Series of Isostructural Dicyanometallate Coordination Polymers","Journal of the American Chemical Society","2009","131","","4866","4871","10.1021/ja809631r","","","0.71073","MoKα","","0.033","0.019","","0.0225","0.0198","0.0193","","","","","","0.4331","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104125","6.7652","0.0001","6.7652","0.0001","8.3094","0.0004","90","","90","","120","","329.353","0.017","100","","100","","","","","","","","","5","P 3 1 2","P 3 2","149","","","","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","1","0.166667","","Jasmine L. Korčok; Michael J. Katz; Daniel B. Leznoff","Impact of Metallophilicity on ""Colossal"" Positive and Negative Thermal Expansion in a Series of Isostructural Dicyanometallate Coordination Polymers","Journal of the American Chemical Society","2009","131","","4866","4871","10.1021/ja809631r","","","0.71073","MoKα","","0.0266","0.0194","","0.0212","0.02","0.0194","","","","","","0.47","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104126","6.8107","0.0001","6.8107","0.0001","8.2665","0.0003","90","","90","","120","","332.075","0.014","205","","205","","","","","","","","","5","P 3 1 2","P 3 2","149","","","","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","1","0.166667","","Jasmine L. Korčok; Michael J. Katz; Daniel B. Leznoff","Impact of Metallophilicity on ""Colossal"" Positive and Negative Thermal Expansion in a Series of Isostructural Dicyanometallate Coordination Polymers","Journal of the American Chemical Society","2009","131","","4866","4871","10.1021/ja809631r","","","0.71073","MoKα","","0.032","0.0185","","0.018","0.0161","0.0156","","","","","","0.4574","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104127","6.9098","0.0002","6.9098","0.0002","8.1724","0.0004","90","","90","","120","","337.92","0.02","395","","395","","","","","","","","","5","P 3 1 2","P 3 2","149","","","","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","1","0.166667","","Jasmine L. Korčok; Michael J. Katz; Daniel B. Leznoff","Impact of Metallophilicity on ""Colossal"" Positive and Negative Thermal Expansion in a Series of Isostructural Dicyanometallate Coordination Polymers","Journal of the American Chemical Society","2009","131","","4866","4871","10.1021/ja809631r","","","0.71073","MoKα","","0.0575","0.0244","","0.0356","0.0246","0.0233","","","","","","0.5305","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104128","6.2981","0.0014","7.551","0.0016","25.114","0.006","90","","90","","90","","1194.3","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Cl N O4 -","- C12 H10 Cl N O4 -","- C48 H40 Cl4 N4 O16 -","4","1","","Barry M. Trost; Julien Hitce","Direct Asymmetric Michael Addition to Nitroalkenes: Vinylogous Nucleophilicity under Dinuclear Zinc Catalysis","Journal of the American Chemical Society","2009","131","","4572","4573","10.1021/ja809723u","","","0.71073","MoKα","","0.0304","0.0275","","","0.0692","0.0706","","","","","","1.053","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104129","6.064","0.0009","10.0246","0.0015","19.24","0.003","90","","90","","90","","1169.6","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","08237b","","","- C12 H13 N O6 -","- C12 H13 N O6 -","- C48 H52 N4 O24 -","4","1","","Barry M. Trost; Julien Hitce","Direct Asymmetric Michael Addition to Nitroalkenes: Vinylogous Nucleophilicity under Dinuclear Zinc Catalysis","Journal of the American Chemical Society","2009","131","","4572","4573","10.1021/ja809723u","","","0.71073","MoKα","","0.0337","0.0293","","","0.0752","0.0785","","","","","","1.048","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104130","9.4272","0.0019","20.353","0.004","27.946","0.006","90","","90","","90","","5362","1.9","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H65 N7 O10 -","- C50 H65 N7 O10 -","- C200 H260 N28 O40 -","4","1","","Hayato Ishikawa; David A. Colby; Shigeki Seto; Porino Va; Annie Tam; Hiroyuki Kakei; Thomas J. Rayl; Inkyu Hwang; Dale L. Boger","Total Synthesis of Vinblastine, Vincristine, Related Natural Products, and Key Structural Analogues","Journal of the American Chemical Society","2009","131","","4904","4916","10.1021/ja809842b","","","0.71073","MoKα","","0.1648","0.0997","","","0.24","0.2796","","","","","","1.075","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104131","8.341","0.0002","17.2024","0.0004","27.0985","0.0006","90","","91.702","0.001","90","","3886.52","0.16","127.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C51 H50 Zr -","- C51 H50 Zr -","- C204 H200 Zr4 -","4","1","","Adam D. Miller; John F. Tannaci; Samuel A. Johnson; Hyuk Lee; Jennifer L. McBee; T. Don Tilley","Mesityl Alkyne Substituents for Control of Regiochemistry and Reversibility in Zirconocene Couplings: New Synthetic Strategies for Unsymmetrical Zirconacyclopentadienes and Conjugated Polymers","Journal of the American Chemical Society","2009","131","","4917","4927","10.1021/ja809896t","","","0.7107","MoKα","","","0.0403","","","","0.045","","","","","","1.4","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104132","20.786","0.007","17.808","0.006","8.229","0.003","90","","90","","90","","3046","1.8","140","2","140","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C38 H46 Zr -","- C38 H46 Zr -","- C152 H184 Zr4 -","4","0.5","","Adam D. Miller; John F. Tannaci; Samuel A. Johnson; Hyuk Lee; Jennifer L. McBee; T. Don Tilley","Mesityl Alkyne Substituents for Control of Regiochemistry and Reversibility in Zirconocene Couplings: New Synthetic Strategies for Unsymmetrical Zirconacyclopentadienes and Conjugated Polymers","Journal of the American Chemical Society","2009","131","","4917","4927","10.1021/ja809896t","","","0.71073","MoKα","","0.0973","0.0371","","","0.0641","0.0719","","","","","","0.708","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104133","10.4214","0.0015","7.429","0.0011","14.284","0.002","90","","92.094","0.002","90","","1105.1","0.3","146","2","146","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 -","- C30 H26 -","- C60 H52 -","2","0.5","","Adam D. Miller; John F. Tannaci; Samuel A. Johnson; Hyuk Lee; Jennifer L. McBee; T. Don Tilley","Mesityl Alkyne Substituents for Control of Regiochemistry and Reversibility in Zirconocene Couplings: New Synthetic Strategies for Unsymmetrical Zirconacyclopentadienes and Conjugated Polymers","Journal of the American Chemical Society","2009","131","","4917","4927","10.1021/ja809896t","","","0.71073","MoKα","","0.0826","0.0556","","","0.1423","0.1563","","","","","","1.169","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104134","8.35","0.003","11.514","0.004","17.134","0.007","74.7","0.005","80.995","0.005","79.982","0.006","1554","1","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H46 Zr -","- C38 H46 Zr -","- C76 H92 Zr2 -","2","1","","Adam D. Miller; John F. Tannaci; Samuel A. Johnson; Hyuk Lee; Jennifer L. McBee; T. Don Tilley","Mesityl Alkyne Substituents for Control of Regiochemistry and Reversibility in Zirconocene Couplings: New Synthetic Strategies for Unsymmetrical Zirconacyclopentadienes and Conjugated Polymers","Journal of the American Chemical Society","2009","131","","4917","4927","10.1021/ja809896t","","","0.71073","MoKα","","0.0998","0.0555","","","0.1149","0.1313","","","","","","0.972","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104135","20.1802","0.0005","28.0519","0.0008","29.3278","0.0008","90","","108.36","0.01","90","","15757.1","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C152 H135 F48 N25 O4 P8 -","- C152 H135 F48 N25 O4 P8 -","- C608 H540 F192 N100 O16 P32 -","4","1","","Asha Brown; Kathleen M. Mullen; Jay Ryu; Michał J. Chmielewski; Sérgio M. Santos; Vitor Felix; Amber L. Thompson; John E. Warren; Sofia I. Pascu; Paul D. Beer","Interlocked Host Anion Recognition by an Indolocarbazole-Containing [2]Rotaxane","Journal of the American Chemical Society","2009","131","","4937","4952","10.1021/ja809905x","","","0.6942","synchrotron","","0.2148","0.1422","","0.1927","0.157","0.157","","","","","","1.0987","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104136","23.8889","0.0002","8.2835","0.0001","29.5789","0.0003","90","","107.818","0.0004","90","","5572.41","0.1","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H48 F24 N8 O2 P4 -","- C46 H48 F24 N8 O2 P4 -","- C184 H192 F96 N32 O8 P16 -","4","1","","Asha Brown; Kathleen M. Mullen; Jay Ryu; Michał J. Chmielewski; Sérgio M. Santos; Vitor Felix; Amber L. Thompson; John E. Warren; Sofia I. Pascu; Paul D. Beer","Interlocked Host Anion Recognition by an Indolocarbazole-Containing [2]Rotaxane","Journal of the American Chemical Society","2009","131","","4937","4952","10.1021/ja809905x","","","0.71073","MoKα","","0.1427","0.0737","","0.1133","0.0739","0.0739","","","","","","0.9625","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104137","17.3377","0.0006","17.3377","0.0006","14.7455","0.0005","90","","90","","90","","4432.4","0.3","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C60 H80 Cu4 N8 O26 -","- C60 H80 Cu4 N8 O26 -","- C120 H160 Cu8 N16 O52 -","2","0.25","","Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh","Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration","Journal of the American Chemical Society","2009","131","","4586","4587","10.1021/ja900416e","","","0.71073","MoKα","","0.0998","0.0699","","","0.1511","0.1662","","","","","","1.074","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104138","17.4666","0.0007","17.4666","0.0007","14.7514","0.0006","90","","90","","90","","4500.4","0.3","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C60 H80 Cu4 N8 O32 -","- C60 H80 Cu4 N8 O32 -","- C120 H160 Cu8 N16 O64 -","2","0.25","","Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh","Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration","Journal of the American Chemical Society","2009","131","","4586","4587","10.1021/ja900416e","","","0.71073","MoKα","","0.1004","0.0749","","","0.1591","0.172","","","","","","1.105","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104139","17.363","0.003","17.363","0.003","14.709","0.003","90","","90","","90","","4434.4","1.4","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C60 H80 Cu4 N8 O36 -","- C60 H80 Cu4 N8 O36 -","- C120 H160 Cu8 N16 O72 -","2","0.25","","Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh","Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration","Journal of the American Chemical Society","2009","131","","4586","4587","10.1021/ja900416e","","","0.71073","MoKα","","0.1234","0.0722","","","0.1651","0.1916","","","","","","1.033","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104140","17.5453","0.0011","17.5453","0.0011","14.7194","0.0011","90","","90","","90","","4531.2","0.5","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C60 H80 Cu4 N8 O24 -","- C60 H80 Cu4 N8 O24 -","- C120 H160 Cu8 N16 O48 -","2","0.25","","Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh","Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration","Journal of the American Chemical Society","2009","131","","4586","4587","10.1021/ja900416e","","","0.71073","MoKα","","0.1035","0.0482","","","0.1031","0.1165","","","","","","0.881","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104141","17.267","0.002","17.267","0.002","14.68","0.003","90","","90","","90","","4376.8","1.1","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C60 H80 Cu4 N8 O26 -","- C60 H80 Cu4 N8 O26 -","- C120 H160 Cu8 N16 O52 -","2","0.25","","Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh","Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration","Journal of the American Chemical Society","2009","131","","4586","4587","10.1021/ja900416e","","","0.71073","MoKα","","0.1016","0.0767","","","0.1919","0.2101","","","","","","1.062","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104142","17.3525","0.0006","17.3525","0.0006","14.7188","0.0005","90","","90","","90","","4432","0.3","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C15 H20 Cu N2 O9 -","- C15 H20 Cu N2 O9 -","- C120 H160 Cu8 N16 O72 -","8","1","","Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh","Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration","Journal of the American Chemical Society","2009","131","","4586","4587","10.1021/ja900416e","","","0.71073","MoKα","","0.0655","0.0511","","","0.1193","0.1255","","","","","","1.045","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104143","17.1318","0.0005","17.1318","0.0005","15.0575","0.0005","90","","90","","90","","4419.4","0.2","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C56 H80 Cu4 N8 O30 -","- C56 H80 Cu4 N8 O30 -","- C112 H160 Cu8 N16 O60 -","2","0.25","","Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh","Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration","Journal of the American Chemical Society","2009","131","","4586","4587","10.1021/ja900416e","","","0.71073","MoKα","","0.0814","0.0643","","","0.1721","0.1839","","","","","","1.088","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104144","10.696","0.009","11.903","0.009","17.801","0.014","96.228","0.013","102.202","0.012","99.063","0.014","2164","3","193.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H55 N3 O6 Rh2 S3 -","- C41 H31 N3 O6 Rh2 S3 -","- C82 H62 N6 O12 Rh4 S6 -","2","1","","Koji Ishiwata; Shigeki Kuwata; Takao Ikariya","Hydrogen- and Oxygen-Driven Interconversion between Imido-Bridged Dirhodium(III) and Amido-Bridged Dirhodium(II) Complexes","Journal of the American Chemical Society","2009","131","","5001","5009","10.1021/ja900650j","","","0.7107","MoKα","","","0.1067","","","","0.2378","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104145","4.962","0.003","13.451","0.005","34.045","0.01","90","","90","","90","","2272.3","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","benzyl-6-chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-ylcarbamate","","- C24.44 H25.32 Cl N2 O2.72 -","- C23 H21 Cl N2 O2 -","- C92 H84 Cl4 N8 O8 -","4","1","","Hua Liu; Guillaume Dagousset; Géraldine Masson; Pascal Retailleau; Jieping Zhu","Chiral Brønsted Acid-Catalyzed Enantioselective Three-Component Povarov Reaction","Journal of the American Chemical Society","2009","131","","4598","4599","10.1021/ja900806q","","","0.71069","MoKα","","0.0823","0.0656","","","0.1635","0.1749","","","","","","1.105","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104146","15.529","0.003","17.296","0.004","20.897","0.004","90","","90","","90","","5613","2","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H43 N3 Si -","- C29 H43 N3 Si -","- C232 H344 N24 Si8 -","8","1","","Anukul Jana; Carola Schulzke; Herbert W. Roesky","Oxidative Addition of Ammonia at a Silicon(II) Center and an Unprecedented Hydrogenation Reaction of Compounds with Low-Valent Group 14 Elements Using Ammonia Borane","Journal of the American Chemical Society","2009","131","","4600","4601","10.1021/ja900880z","","","0.71073","MoKα","","0.0782","0.0625","","","0.1443","0.1523","","","","","","1.112","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104147","13.512","0.0002","22.591","0.0003","14.469","0.0002","90","","92.453","0.001","90","","4412.61","0.11","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H51 B F4 N2 O P2 Ru -","- C48 H51 B F4 N2 O P2 Ru -","- C192 H204 B4 F16 N8 O4 P8 Ru4 -","4","1","","L. Jonas L. Häller; Michael J. Page; Stuart A. Macgregor; Mary F. Mahon; Michael K. Whittlesey","Activation of an Alkyl C-H Bond Geminal to an Agostic Interaction: An Unusual Mode of Base-Induced C-H Activation","Journal of the American Chemical Society","2009","131","","4604","4605","10.1021/ja900953d","","","0.71073","MoKα","","0.1118","0.0777","","","0.1426","0.1537","","","","","","1.212","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104148","10.951","0.0001","12.577","0.0002","18.74","0.0004","104.068","0.001","97.078","0.001","110.121","0.001","2289.44","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H58 N2 O2 P2 Ru -","- C52 H58 N2 O2 P2 Ru -","- C104 H116 N4 O4 P4 Ru2 -","2","1","","L. Jonas L. Häller; Michael J. Page; Stuart A. Macgregor; Mary F. Mahon; Michael K. Whittlesey","Activation of an Alkyl C-H Bond Geminal to an Agostic Interaction: An Unusual Mode of Base-Induced C-H Activation","Journal of the American Chemical Society","2009","131","","4604","4605","10.1021/ja900953d","","","0.71073","MoKα","","0.0605","0.0418","","","0.0976","0.1062","","","","","","1.027","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104149","9.0526","0.001","14.0417","0.0016","28.238","0.003","90","","99.027","0.002","90","","3545","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H60 Os P Sn -","- C34 H61 Os P Sn -","- C136 H244 Os4 P4 Sn4 -","4","1","","Paul G. Hayes; Christopher W. Gribble; Rory Waterman; T. Don Tilley","A Hydrogen-Substituted Osmium Stannylene Complex: Isomerization to a Metallostannylene Complex via an Unusual α-Hydrogen Migration from Tin to Osmium","Journal of the American Chemical Society","2009","131","","4606","4607","10.1021/ja901050m","","","0.71073","MoKα","","0.0704","0.0481","","","0.1081","0.1165","","","","","","0.924","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104150","36.34","0.06","10.129","0.016","11.281","0.018","90","","97.7","0.04","90","","4115","11","202","2","202","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C47 H55 N3 -","- C47 H55 N3 -","- C188 H220 N12 -","4","0.5","","Titel Jurca; Justin Lummiss; Tara J. Burchell; Serge I. Gorelsky; Darrin S. Richeson","Capturing In+ Monomers in a Neutral Weakly Coordinating Environment","Journal of the American Chemical Society","2009","131","","4608","4609","10.1021/ja901128q","","","0.71073","MoKα","","0.1037","0.0572","","","0.1307","0.1543","","","","","","1.054","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104151","11.344","0.002","14.775","0.003","15.361","0.003","78.425","0.003","69.913","0.003","74.98","0.003","2317.6","0.8","202","2","202","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H55 F3 In N3 O3 S -","- C48 H55 F3 In N3 O3 S -","- C96 H110 F6 In2 N6 O6 S2 -","2","1","","Titel Jurca; Justin Lummiss; Tara J. Burchell; Serge I. Gorelsky; Darrin S. Richeson","Capturing In+ Monomers in a Neutral Weakly Coordinating Environment","Journal of the American Chemical Society","2009","131","","4608","4609","10.1021/ja901128q","","","0.71073","MoKα","","0.1052","0.0737","","","0.1856","0.2024","","","","","","1.054","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104152","18.2104","0.0013","16.5153","0.0012","20.0394","0.0015","90","","100.628","0.001","90","","5923.5","0.7","202","2","202","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57.5 H67 Cl6 In2 N3 -","- C57.5 H67 Cl6 In2 N3 -","- C230 H268 Cl24 In8 N12 -","4","1","","Titel Jurca; Justin Lummiss; Tara J. Burchell; Serge I. Gorelsky; Darrin S. Richeson","Capturing In+ Monomers in a Neutral Weakly Coordinating Environment","Journal of the American Chemical Society","2009","131","","4608","4609","10.1021/ja901128q","","","0.71073","MoKα","","0.1669","0.0646","","","0.135","0.176","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104153","10.116","0.0019","13.004","0.003","10.385","0.002","90","","97.72","0.004","90","","1353.7","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","undeca-methoxo-octa-oxo-hexavanadium","","- C11 H33 O19 V6 -","- C11 H33 O19 V6 -","- C22 H66 O38 V12 -","2","0.5","","Charles Daniel; Hans Hartl","A Mixed-Valence VIV/VV Alkoxo-polyoxovanadium Cluster Series [V6O8(OCH3)11]n+/-: Exploring the Influence of a μ-Oxo Ligand in a Spin Frustrated Structure","Journal of the American Chemical Society","2009","131","","5101","5114","10.1021/ja8073648","","","0.71073","MoKα","","0.0385","0.0318","","","0.0819","0.0887","","","","","","0.898","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104154","10.074","0.002","13.066","0.003","15.085","0.003","90.041","0.005","103.88","0.005","91.872","0.005","1926.5","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Dodeca-methoxo-hepta-oxo-hexa-vanadium-hexochloroantimonat","","- C12 H35 Cl8 O19 Sb V6 -","- C12 H35 Cl8 O19 Sb V6 -","- C24 H70 Cl16 O38 Sb2 V12 -","2","1","","Charles Daniel; Hans Hartl","A Mixed-Valence VIV/VV Alkoxo-polyoxovanadium Cluster Series [V6O8(OCH3)11]n+/-: Exploring the Influence of a μ-Oxo Ligand in a Spin Frustrated Structure","Journal of the American Chemical Society","2009","131","","5101","5114","10.1021/ja8073648","","","0.71073","MoKα","","0.0884","0.0544","","","0.1305","0.1434","","","","","","0.977","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104155","6.6344","0.0002","10.9383","0.0002","27.119","0.0006","90","","90","","90","","1968","0.08","296","2","296","2","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","4-O-benzyl-6-O-tert-butyldimethylsilyl-D-(-)-glucal","","","- C19 H30 O4 Si -","- C19 H30 O4 Si -","- C76 H120 O16 Si4 -","4","1","","Dusan Hesek; Mijoon Lee; Weilie Zhang; Bruce C. Noll; Shahriar Mobashery","Total Synthesis of N-Acetylglucosamine-1,6-anhydro-N-acetylmuramylpentapeptide and Evaluation of Its Turnover by AmpD from Escherichia coli","Journal of the American Chemical Society","2009","131","","5187","5193","10.1021/ja808498m","","x-ray","1.54178","CuKα","","0.0273","0.0265","","","0.0683","0.0686","","","","","","1.055","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104156","4.57","0.0001","13.9439","0.0003","21.6237","0.0005","90","","90","","90","","1377.94","0.05","296","2","296","2","","","","","","","synthesized","3","P 21 21 21","P 2ac 2ab","19","4-O-benzyl-D-(-)-glucal","","","- C15 H18 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Dusan Hesek; Mijoon Lee; Weilie Zhang; Bruce C. Noll; Shahriar Mobashery","Total Synthesis of N-Acetylglucosamine-1,6-anhydro-N-acetylmuramylpentapeptide and Evaluation of Its Turnover by AmpD from Escherichia coli","Journal of the American Chemical Society","2009","131","","5187","5193","10.1021/ja808498m","","x-ray","1.54178","CuKα","","0.0521","0.0504","","","0.1476","0.15","","","","","","0.935","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104157","6.1718","0.0004","7.5275","0.0005","13.9663","0.0006","91.577","0.001","92.433","0.005","91.599","0.005","647.74","0.07","100","2","100","2","","","","","","","synthesized","4","P 1","P 1","1","1,6-Anhydro-2-iodo-4-O-benzyl-2-deoxy-β-D-glucopyranose","","","- C13 H15 I O4 -","- C13 H15 I O4 -","- C26 H30 I2 O8 -","2","2","","Dusan Hesek; Mijoon Lee; Weilie Zhang; Bruce C. Noll; Shahriar Mobashery","Total Synthesis of N-Acetylglucosamine-1,6-anhydro-N-acetylmuramylpentapeptide and Evaluation of Its Turnover by AmpD from Escherichia coli","Journal of the American Chemical Society","2009","131","","5187","5193","10.1021/ja808498m","","x-ray","0.71073","MoKα","","0.016","0.016","","","0.0584","0.0584","","","","","","1.303","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104158","6.7203","0.0003","10.1187","0.0004","18.5765","0.0008","90","","90","","90","","1263.21","0.09","100","2","100","2","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","1,6-anhydro-2-azido-4-O-benzyl-2-deoxy-β-D-glucopyranose","","","- C13 H15 N3 O4 -","- C13 H15 N3 O4 -","- C52 H60 N12 O16 -","4","1","","Dusan Hesek; Mijoon Lee; Weilie Zhang; Bruce C. Noll; Shahriar Mobashery","Total Synthesis of N-Acetylglucosamine-1,6-anhydro-N-acetylmuramylpentapeptide and Evaluation of Its Turnover by AmpD from Escherichia coli","Journal of the American Chemical Society","2009","131","","5187","5193","10.1021/ja808498m","","x-ray","1.54178","CuKα","","0.0259","0.0259","","","0.066","0.066","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104159","10.9272","0.0012","19.943","0.002","11.0323","0.0011","90","","110.217","0.006","90","","2256.1","0.4","101","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","2-O-Benzyl-1,6:3,4-dianhydro-β-D-altropyranose","","","- C13 H14 O4 -","- C13 H14 O4 -","- C104 H112 O32 -","8","4","","Dusan Hesek; Mijoon Lee; Weilie Zhang; Bruce C. Noll; Shahriar Mobashery","Total Synthesis of N-Acetylglucosamine-1,6-anhydro-N-acetylmuramylpentapeptide and Evaluation of Its Turnover by AmpD from Escherichia coli","Journal of the American Chemical Society","2009","131","","5187","5193","10.1021/ja808498m","","x-ray","0.71073","MoKα","","0.0961","0.082","","","0.2267","0.2494","","","","","","1.098","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104160","17.5877","0.0002","21.7941","0.0002","5.7479","0.0001","90","","90","","90","","2203.22","0.05","291","2","291","2","","","","","","","synthesized","4","P 21 21 2","P 2 2ab","18","Azido tetraacetyl 2-deoxy-β-D-glucopyranose","","","- C18 H22 N4 O9 -","- C18 H22 N4 O9 -","- C72 H88 N16 O36 -","4","1","","Dusan Hesek; Mijoon Lee; Weilie Zhang; Bruce C. Noll; Shahriar Mobashery","Total Synthesis of N-Acetylglucosamine-1,6-anhydro-N-acetylmuramylpentapeptide and Evaluation of Its Turnover by AmpD from Escherichia coli","Journal of the American Chemical Society","2009","131","","5187","5193","10.1021/ja808498m","","x-ray","1.54178","CuKα","","0.0398","0.0324","","","0.0856","0.0899","","","","","","1.045","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104161","36.104","0.005","11.621","0.005","16.841","0.005","90","0.005","97.646","0.005","90","0.005","7003","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H36 N4 S2 Zn -","- C41 H36 N4 S2 Zn -","- C328 H288 N32 S16 Zn8 -","8","1","","Yuanhao Gao; Jieying Wu; Yiming Li; Pingping Sun; Hongping Zhou; Jiaxiang Yang; Shengyi Zhang; Baokang Jin; Yupeng Tian","A Sulfur-Terminal Zn(II) Complex and Its Two-Photon Microscopy Biological Imaging Application","Journal of the American Chemical Society","2009","131","","5208","5213","10.1021/ja808606d","","","0.71069","MoKα","","0.0934","0.0618","","","0.1977","0.2198","","","","","","1.433","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104162","13.119","0.005","22.715","0.008","11.114","0.004","90","","106.552","0.005","90","","3175","2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 N4 -","- C41 H36 N4 -","- C164 H144 N16 -","4","1","","Yuanhao Gao; Jieying Wu; Yiming Li; Pingping Sun; Hongping Zhou; Jiaxiang Yang; Shengyi Zhang; Baokang Jin; Yupeng Tian","A Sulfur-Terminal Zn(II) Complex and Its Two-Photon Microscopy Biological Imaging Application","Journal of the American Chemical Society","2009","131","","5208","5213","10.1021/ja808606d","","","0.71073","MoKα","","0.1646","0.0666","","","0.1738","0.2755","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104163","9.1381","0.0018","9.1761","0.0018","13.632","0.003","103.2","0.03","91.95","0.03","114.33","0.03","1003.4","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H66 Ge2 Si8 -","- C22 H66 Ge2 Si8 -","- C22 H66 Ge2 Si8 -","1","0.5","","Harald Wagner; Judith Baumgartner; Thomas Müller; Christoph Marschner","Shuttling Germanium Atoms into Branched Polysilanes","Journal of the American Chemical Society","2009","131","","5022","5023","10.1021/ja809270m","","","0.71073","MoKα","","0.0528","0.0439","","","0.1157","0.1191","","","","","","0.937","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104164","9.1291","0.0018","9.1306","0.0018","13.694","0.003","92.2","0.03","103.02","0.03","114.18","0.03","1003.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H66 Ge4 Si6 -","- C22 H66 Ge4 Si6 -","- C22 H66 Ge4 Si6 -","1","0.5","","Harald Wagner; Judith Baumgartner; Thomas Müller; Christoph Marschner","Shuttling Germanium Atoms into Branched Polysilanes","Journal of the American Chemical Society","2009","131","","5022","5023","10.1021/ja809270m","","","0.71073","MoKα","","0.0425","0.0349","","","0.0865","0.0901","","","","","","1.062","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104165","7.6254","0.0002","7.8637","0.0002","16.4311","0.0004","101.522","0.0011","90.9684","0.0011","97.7622","0.0011","955.59","0.04","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H51 F S Si2 -","- C42 H51 F S Si2 -","- C42 H51 F S Si2 -","1","0.5","","Ming L. Tang; Anna D. Reichardt; Peng Wei; Zhenan Bao","Correlating Carrier Type with Frontier Molecular Orbital Energy Levels in Organic Thin Film Transistors of Functionalized Acene Derivatives","Journal of the American Chemical Society","2009","131","","5264","5273","10.1021/ja809659b","","","0.71073","MoKα","","0.0949","0.0676","","","0.1704","0.1877","","","","","","1.022","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104166","7.4762","0.0005","8.045","0.0006","16.43","0.0011","102.104","0.004","90.77","0.004","96.343","0.004","959.63","0.12","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H47 F5 S Si2 -","- C42 H47 F5 S Si2 -","- C42 H47 F5 S Si2 -","1","0.5","","Ming L. Tang; Anna D. Reichardt; Peng Wei; Zhenan Bao","Correlating Carrier Type with Frontier Molecular Orbital Energy Levels in Organic Thin Film Transistors of Functionalized Acene Derivatives","Journal of the American Chemical Society","2009","131","","5264","5273","10.1021/ja809659b","","","1.54178","CuKα","","0.0865","0.0634","","","0.1563","0.1793","","","","","","1.029","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104167","10.791","0.001","13.32","0.001","28.398","0.003","90","","91.066","0.002","90","","4081.1","0.7","100","1","100","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H21 B F20 Ti -","- C40 H21 B F20 Ti -","- C160 H84 B4 F80 Ti4 -","4","1","","Edwin Otten; Aurora A. Batinas; Auke Meetsma; Bart Hessen","Versatile Coordination of Cyclopentadienyl-Arene Ligands and Its Role in Titanium-Catalyzed Ethylene Trimerization","Journal of the American Chemical Society","2009","131","","5298","5312","10.1021/ja810089f","","","0.71073","MoKα","","0.116","0.0707","","","0.1726","0.1916","","","","","","1.041","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104168","12.0159","0.0009","19.541","0.001","15.977","0.001","90","","91.83","0.001","90","","3749.5","0.4","100","1","100","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H25 B F20 Ti -","- C42 H25 B F20 Ti -","- C168 H100 B4 F80 Ti4 -","4","1","","Edwin Otten; Aurora A. Batinas; Auke Meetsma; Bart Hessen","Versatile Coordination of Cyclopentadienyl-Arene Ligands and Its Role in Titanium-Catalyzed Ethylene Trimerization","Journal of the American Chemical Society","2009","131","","5298","5312","10.1021/ja810089f","","","0.71073","MoKα","","0.0954","0.0505","","","0.1036","0.1181","","","","","","1.021","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104169","14.173","0.003","18.378","0.003","29.769","0.005","90","","97.089","0.004","90","","7695","2","100","1","100","1","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H27 B F20 Ti -","- C43 H27 B F20 Ti -","- C344 H216 B8 F160 Ti8 -","8","2","","Edwin Otten; Aurora A. Batinas; Auke Meetsma; Bart Hessen","Versatile Coordination of Cyclopentadienyl-Arene Ligands and Its Role in Titanium-Catalyzed Ethylene Trimerization","Journal of the American Chemical Society","2009","131","","5298","5312","10.1021/ja810089f","","","0.71073","MoKα","","0.1613","0.0636","","","0.1156","0.1449","","","","","","0.95","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104170","9.647","0.0008","12.96","0.001","17.683","0.002","102.781","0.001","90.754","0.002","96.832","0.002","2139","0.3","100","1","100","1","","","","","","","see text","6","P -1","-P 1","2","","","","- C45 H33 B F20 Si Ti -","- C45 H33 B F20 Si Ti -","- C90 H66 B2 F40 Si2 Ti2 -","2","1","","Edwin Otten; Aurora A. Batinas; Auke Meetsma; Bart Hessen","Versatile Coordination of Cyclopentadienyl-Arene Ligands and Its Role in Titanium-Catalyzed Ethylene Trimerization","Journal of the American Chemical Society","2009","131","","5298","5312","10.1021/ja810089f","","","0.71073","MoKα","","0.0967","0.0559","","","0.116","0.1311","","","","","","1.026","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104171","15.902","0.002","17.78","0.002","17.1","0.002","90","","115.144","0.002","90","","4376.7","0.9","100","1","100","1","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H24 B Br F20 O2 Ti -","- C48 H24 B Br F20 O2 Ti -","- C192 H96 B4 Br4 F80 O8 Ti4 -","4","1","","Edwin Otten; Aurora A. Batinas; Auke Meetsma; Bart Hessen","Versatile Coordination of Cyclopentadienyl-Arene Ligands and Its Role in Titanium-Catalyzed Ethylene Trimerization","Journal of the American Chemical Society","2009","131","","5298","5312","10.1021/ja810089f","","","0.71073","MoKα","","0.0798","0.0495","","","0.1131","0.1261","","","","","","1.036","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104172","15.858","0.002","15.996","0.002","20.876","0.002","90","","104.36","0.002","90","","5130.1","1","100","1","100","1","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H40 B F20 N2 V -","- C53 H40 B F20 N2 V -","- C212 H160 B4 F80 N8 V4 -","4","1","","Edwin Otten; Aurora A. Batinas; Auke Meetsma; Bart Hessen","Versatile Coordination of Cyclopentadienyl-Arene Ligands and Its Role in Titanium-Catalyzed Ethylene Trimerization","Journal of the American Chemical Society","2009","131","","5298","5312","10.1021/ja810089f","","","0.71073","MoKα","","0.0597","0.0432","","","0.1041","0.1106","","","","","","1.026","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104173","11.5182","0.0008","12.3831","0.0008","12.4144","0.0008","99.737","0.003","92.627","0.004","92.065","0.004","1741.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H49.5 Cl2 N2 O Ru -","- C36.5 H49.5 Cl2 N2 O Ru -","- C73 H99 Cl4 N4 O2 Ru2 -","2","1","","Kevin M. Kuhn; Jean-Baptiste Bourg; Cheol K. Chung; Scott C. Virgil; Robert H. Grubbs","Effects of NHC-Backbone Substitution on Efficiency in Ruthenium-Based Olefin Metathesis","Journal of the American Chemical Society","2009","131","","5313","5320","10.1021/ja900067c","","","0.71073","MoKα","","0.0797","0.0605","","","0.0916","0.0928","","","","","","2.665","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4104174","9.1757","0.0003","10.613","0.0004","16.2638","0.0006","85.33","0.001","77.265","0.001","72.206","0.001","1470.76","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H38 Cl2 N2 O Ru -","- C31 H38 Cl2 N2 O Ru -","- C62 H76 Cl4 N4 O2 Ru2 -","2","1","","Kevin M. Kuhn; Jean-Baptiste Bourg; Cheol K. Chung; Scott C. Virgil; Robert H. Grubbs","Effects of NHC-Backbone Substitution on Efficiency in Ruthenium-Based Olefin Metathesis","Journal of the American Chemical Society","2009","131","","5313","5320","10.1021/ja900067c","","","0.71073","MoKα","","0.0677","0.0444","","","0.0893","0.0937","","","","","","1.187","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4104175","9.2776","0.0002","10.3304","0.0003","12.6608","0.0003","98.689","0.002","101.268","0.002","101.819","0.002","1141.5","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H80 N2 O4 Pd -","- C46 H80 N2 O4 Pd -","- C46 H80 N2 O4 Pd -","1","0.5","","Yang-Hui Zhang; Bing-Feng Shi; Jin-Quan Yu","Pd(II)-Catalyzed Olefination of Electron-Deficient Arenes Using 2,6-Dialkylpyridine Ligands","Journal of the American Chemical Society","2009","131","","5072","5074","10.1021/ja900327e","","","1.54178","CuKα","","0.0645","0.0627","","","0.162","0.1642","","","","","","1.134","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104176","11.853","0.004","19.502","0.007","9.979","0.003","90","","106.351","0.007","90","","2213.4","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 N2 O5 -","- C21 H28 N2 O5 -","- C84 H112 N8 O20 -","4","1","","Jubi John; Indu U.; Eringathodi Suresh; K. V. Radhakrishnan","Palladium Catalyzed Tandem Ring Opening-Ring Closing Reaction of Diazabicyclic Alkenes: A Facile One Pot Strategy for Cyclopentannulation of Heterocycles","Journal of the American Chemical Society","2009","131","","5042","5043","10.1021/ja900477e","","","0.71073","MoKα","","0.1741","0.1168","","","0.2187","0.2431","","","","","","1.235","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104177","10.5676","0.0018","13.375","0.002","15.023","0.003","103.159","0.003","95.365","0.002","106.548","0.002","1953.3","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H19 N O S -","- C26 H19 N O S -","- C104 H76 N4 O4 S4 -","4","4","","Jonathan Clayden; Stephen P. Fletcher; Joseph J. W. McDouall; Stephen J. M. Rowbottom","Controlling Axial Conformation in 2-Arylpyridines and 1-Arylisoquinolines: Application to the Asymmetric Synthesis of QUINAP by Dynamic Thermodynamic Resolution","Journal of the American Chemical Society","2009","131","","5331","5343","10.1021/ja900722q","","","0.71073","MoKα","","0.0322","0.0316","","","0.0795","0.08","","","","","","1.047","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104178","18.2859","0.0007","11.0179","0.0005","14.8299","0.0006","90","","108.605","0.002","90","","2831.7","0.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cl3 N3 O9 S -","- C26 H26 Cl3 N3 O9 S -","- C104 H104 Cl12 N12 O36 S4 -","4","1","","Eduardas Skucas; Jason R. Zbieg; Michael J. Krische","anti-Aminoallylation of Aldehydes via Ruthenium-Catalyzed Transfer Hydrogenative Coupling of Sulfonamido Allenes: 1,2-Aminoalcohols","Journal of the American Chemical Society","2009","131","","5054","5055","10.1021/ja900827p","","","0.71069","MoKα","","0.0988","0.0545","","","0.1146","0.1321","","","","","","1.063","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104179","15.7991","0.0012","8.3868","0.0009","21.179","0.002","90","","90","","90","","2806.3","0.5","153","2","153","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C112 H152 N8 O24 -","8","2","","Eduardas Skucas; Jason R. Zbieg; Michael J. Krische","anti-Aminoallylation of Aldehydes via Ruthenium-Catalyzed Transfer Hydrogenative Coupling of Sulfonamido Allenes: 1,2-Aminoalcohols","Journal of the American Chemical Society","2009","131","","5054","5055","10.1021/ja900827p","","","0.7107","MoKα","","0.158","0.0895","","","0.1909","0.2199","","","","","","1.2","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104180","8.3047","0.0009","20.426","0.002","14.9273","0.0015","90","","99.6683","0.0014","90","","2496.2","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H15 As Cl3 Sb -","- C6 H15 As Cl3 Sb -","- C48 H120 As8 Cl24 Sb8 -","8","2","","Eamonn Conrad; Neil R. Burford; Robert McDonald; Michael J. Ferguson","Coordination of Arsine Ligands as a General Synthetic Approach to Rare Examples of Arsenic-Antimony and Arsenic-Bismuth Bonds","Journal of the American Chemical Society","2009","131","","5066","5067","10.1021/ja900968j","","","0.71073","MoKα","","0.0605","0.0494","","","0.1193","0.1245","","","","","","1.157","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104181","10.7183","0.0015","11.0815","0.0016","12.3185","0.0017","90","","114.214","0.002","90","","1334.4","0.3","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 As Cl2 F3 O3 S Sb -","- C4 H9 As Cl2 F3 O3 S Sb -","- C16 H36 As4 Cl8 F12 O12 S4 Sb4 -","4","1","","Eamonn Conrad; Neil R. Burford; Robert McDonald; Michael J. Ferguson","Coordination of Arsine Ligands as a General Synthetic Approach to Rare Examples of Arsenic-Antimony and Arsenic-Bismuth Bonds","Journal of the American Chemical Society","2009","131","","5066","5067","10.1021/ja900968j","","","0.71073","MoKα","","0.0345","0.0297","","","0.0761","0.0779","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104182","31.0351","0.0019","11.9521","0.0007","15.0928","0.0009","90","","99.7641","0.0009","90","","5517.3","0.6","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Al As Cl5 Sb -","- C24 H20 Al As Cl5 Sb -","- C192 H160 Al8 As8 Cl40 Sb8 -","8","1","","Eamonn Conrad; Neil R. Burford; Robert McDonald; Michael J. Ferguson","Coordination of Arsine Ligands as a General Synthetic Approach to Rare Examples of Arsenic-Antimony and Arsenic-Bismuth Bonds","Journal of the American Chemical Society","2009","131","","5066","5067","10.1021/ja900968j","","","0.71073","MoKα","","0.0394","0.0286","","","0.0701","0.0813","","","","","","1.114","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104183","22.023","0.002","16.6499","0.0017","22.883","0.002","90","","114.678","0.0013","90","","7624.4","1.2","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C37 H30 As2 Bi Cl2 F3 O3 S -","- C37 H30 As2 Bi Cl2 F3 O3 S -","- C296 H240 As16 Bi8 Cl16 F24 O24 S8 -","8","1","","Eamonn Conrad; Neil R. Burford; Robert McDonald; Michael J. Ferguson","Coordination of Arsine Ligands as a General Synthetic Approach to Rare Examples of Arsenic-Antimony and Arsenic-Bismuth Bonds","Journal of the American Chemical Society","2009","131","","5066","5067","10.1021/ja900968j","","","0.71073","MoKα","","0.0495","0.031","","","0.0652","0.0713","","","","","","1.039","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104184","11.139","0.0003","18.6226","0.0004","21.2712","0.0005","90","","90","","90","","4412.44","0.18","133","2","133","2","","","","","","","","6","P b c m","-P 2c 2b","57","(DIPP-nacnac)Ca(DIPP)N=BH2.THF","","","- C45 H68 B Ca N3 O -","- C45 H68 B Ca N3 O -","- C180 H272 B4 Ca4 N12 O4 -","4","0.5","","Jan Spielmann; Sjoerd Harder","Hydrogen Elimination in Bulky Calcium Amidoborane Complexes: Isolation of a Calcium Borylamide Complex","Journal of the American Chemical Society","2009","131","","5064","5065","10.1021/ja901073c","","","0.71073","MoKα","","0.0553","0.0429","","","0.1081","0.1144","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104185","11.9746","0.0006","22.8411","0.0012","17.0308","0.0008","90","","106.287","0.003","90","","4471.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(DIPP-nacnac)Ca(NH(DIPP)BH3).THF","","","- C45 H70 B Ca N3 O -","- C45 H70 B Ca N3 O -","- C180 H280 B4 Ca4 N12 O4 -","4","1","","Jan Spielmann; Sjoerd Harder","Hydrogen Elimination in Bulky Calcium Amidoborane Complexes: Isolation of a Calcium Borylamide Complex","Journal of the American Chemical Society","2009","131","","5064","5065","10.1021/ja901073c","","","0.71073","MoKα","","0.1062","0.0608","","","0.1361","0.1594","","","","","","1.031","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104186","16.5823","0.0015","17.0572","0.0015","26.097","0.003","90","","90","","90","","7381.5","1.3","173","2","173","2","","","","","","","","6","P b n a","-P 2ac 2b","60","DIPP-nacnac)CaN(DIPP)H-BH3.THF","","","- C36 H60 B Ca N3 O -","- C36 H60 B Ca N3 O -","- C288 H480 B8 Ca8 N24 O8 -","8","1","","Jan Spielmann; Sjoerd Harder","Hydrogen Elimination in Bulky Calcium Amidoborane Complexes: Isolation of a Calcium Borylamide Complex","Journal of the American Chemical Society","2009","131","","5064","5065","10.1021/ja901073c","","","0.71073","MoKα","","0.1012","0.0785","","","0.1813","0.1921","","","","","","1.129","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104187","11.9152","0.0004","18.0011","0.0006","31.6183","0.0009","90","","92.026","0.002","90","","6777.5","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(DIPP-nacnac)Ca]2(iPrN=BH-N(iPr)-BH3).THF","","","- C68 H108 B2 Ca2 N6 O -","- C68 H108 B2 Ca2 N6 O -","- C272 H432 B8 Ca8 N24 O4 -","4","1","","Jan Spielmann; Sjoerd Harder","Hydrogen Elimination in Bulky Calcium Amidoborane Complexes: Isolation of a Calcium Borylamide Complex","Journal of the American Chemical Society","2009","131","","5064","5065","10.1021/ja901073c","","","0.71073","MoKα","","0.074","0.0498","","","0.1014","0.1144","","","","","","1.076","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104188","19.6891","0.0008","19.6891","0.0008","14.1971","0.0007","90","","90","","120","","4766.3","0.4","123","2","123","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H10 Cu N3 -","- C6 H10 Cu N3 -","- C108 H180 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0482","0.0402","","","0.0732","0.077","","","","","","1.014","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104189","19.5289","0.0008","19.5289","0.0008","14.2935","0.0008","90","","90","","120","","4720.9","0.4","123","2","123","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H12 Cu N3 -","- C8 H12 Cu N3 -","- C144 H216 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0451","0.0393","","","0.0787","0.082","","","","","","1.028","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104190","19.6972","0.0009","19.6972","0.0009","14.2478","0.0008","90","","90","","120","","4787.3","0.4","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H12 Cu N3 -","- C8 H12 Cu N3 -","- C144 H216 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0617","0.051","","","0.1104","0.1182","","","","","","1.021","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104191","19.6216","0.0012","19.6216","0.0012","14.2113","0.0009","90","","90","","120","","4738.4","0.5","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C7 H10 Cu N3 O2 -","- C7 H10 Cu N3 O2 -","- C126 H180 Cu18 N54 O36 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0571","0.0458","","","0.0957","0.1004","","","","","","1.016","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104192","19.7501","0.0013","19.7501","0.0013","14.1928","0.001","90","","90","","120","","4794.4","0.6","195","2","195","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H10 Cu N3 -","- C6 H10 Cu N3 -","- C108 H180 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0442","0.0364","","","0.0863","0.0919","","","","","","1.014","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104193","19.6052","0.0005","19.6052","0.0005","14.242","0.0004","90","","90","","120","","4740.7","0.2","93","2","93","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H10 Cu N4 -","- C6 H10 Cu N4 -","- C108 H180 Cu18 N72 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0367","0.0327","","","0.0734","0.0761","","","","","","1.015","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104194","19.6808","0.0016","19.6808","0.0016","14.2153","0.0012","90","","90","","120","","4768.4","0.7","195","2","195","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6.08 H10.08 Cu N3 -","- C6.082 H10.082 Cu N3 -","- C109.476 H181.476 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0538","0.0415","","","0.0935","0.0998","","","","","","1.033","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104195","19.6307","0.0014","19.6307","0.0014","14.2594","0.0011","90","","90","","120","","4758.9","0.6","195","2","195","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6.21 H10.21 Cu N3 -","- C6.208 H10.208 Cu N3 -","- C111.744 H183.744 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0396","0.0329","","","0.0795","0.0845","","","","","","1.021","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104196","19.6035","0.0014","19.6035","0.0014","14.2793","0.0011","90","","90","","120","","4752.3","0.6","195","2","195","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6.39 H10.39 Cu N3 -","- C6.394 H10.394 Cu N3 -","- C115.092 H187.092 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0379","0.0324","","","0.0833","0.0878","","","","","","1.032","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104197","19.5947","0.0014","19.5947","0.0014","14.2851","0.001","90","","90","","120","","4750","0.6","195","2","195","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6.84 H10.84 Cu N3 -","- C6.836 H10.836 Cu N3 -","- C123.048 H195.048 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0543","0.0407","","","0.092","0.0979","","","","","","1.043","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104198","19.7253","0.0014","19.7253","0.0014","14.1969","0.001","90","","90","","120","","4783.8","0.6","195","2","195","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6.04 H10 Cu N3 O0.09 -","- C6.044 H10 Cu N3 O0.088 -","- C108.792 H180 Cu18 N54 O1.584 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0521","0.0388","","","0.0895","0.0986","","","","","","1.022","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104199","19.7013","0.0012","19.7013","0.0012","14.1981","0.0009","90","","90","","120","","4772.6","0.5","195","2","195","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6.08 H10 Cu N3 O0.15 -","- C6.076 H10 Cu N3 O0.152 -","- C109.368 H180 Cu18 N54 O2.736 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0536","0.0386","","","0.0856","0.0936","","","","","","1.02","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104200","19.6828","0.0017","19.6828","0.0017","14.205","0.0012","90","","90","","120","","4765.9","0.7","195","2","195","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6.25 H10 Cu N3 O0.5 -","- C6.247 H10 Cu N3 O0.494 -","- C112.446 H180 Cu18 N54 O8.892 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0461","0.0381","","","0.0926","0.0987","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104201","19.6798","0.0013","19.6798","0.0013","14.2054","0.001","90","","90","","120","","4764.6","0.6","195","2","195","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6.42 H10 Cu N3 O0.84 -","- C6.42 H10 Cu N3 O0.84 -","- C115.56 H180 Cu18 N54 O15.12 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0439","0.0369","","","0.0915","0.096","","","","","","1.026","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104202","12.13","0.03","13.84","0.04","16.24","0.04","112.53","0.03","110.86","0.03","90.76","0.03","2318","11","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C59 H66 O2 S2 -","- C59 H66 O2 S2 -","- C118 H132 O4 S4 -","2","1","","Hakan Usta; Chad Risko; Zhiming Wang; Hui Huang; Murat K. Deliomeroglu; Aleksandr Zhukhovitskiy; Antonio Facchetti; Tobin J. Marks","Design, Synthesis, and Characterization of Ladder-Type Molecules and Polymers. Air-Stable, Solution-Processablen-Channel and Ambipolar Semiconductors for Thin-Film Transistors via Experiment and Theory","Journal of the American Chemical Society","2009","131","","5586","5608","10.1021/ja809555c","","","","","","","","","","","","","","","","","","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104203","8.4993","0.0004","10.0232","0.0004","14.3879","0.0006","76.65","0.003","80.592","0.003","66.24","0.003","1088.08","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H56 Br2 N4 -","- C50 H56 Br2 N4 -","- C50 H56 Br2 N4 -","1","0.5","","Hakan Usta; Chad Risko; Zhiming Wang; Hui Huang; Murat K. Deliomeroglu; Aleksandr Zhukhovitskiy; Antonio Facchetti; Tobin J. Marks","Design, Synthesis, and Characterization of Ladder-Type Molecules and Polymers. Air-Stable, Solution-Processablen-Channel and Ambipolar Semiconductors for Thin-Film Transistors via Experiment and Theory","Journal of the American Chemical Society","2009","131","","5586","5608","10.1021/ja809555c","","","1.54178","CuKα","","0.0422","0.0365","","","0.0928","0.0955","","","","","","1.053","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104204","22.2091","0.0006","22.2174","0.0007","36.397","0.001","90","","90","","90","","17959.3","0.9","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C50 H45 Br2 Cl3 N4 -","- C50 H45 Br2 Cl3 N4 -","- C800 H720 Br32 Cl48 N64 -","16","2","","Hakan Usta; Chad Risko; Zhiming Wang; Hui Huang; Murat K. Deliomeroglu; Aleksandr Zhukhovitskiy; Antonio Facchetti; Tobin J. Marks","Design, Synthesis, and Characterization of Ladder-Type Molecules and Polymers. Air-Stable, Solution-Processablen-Channel and Ambipolar Semiconductors for Thin-Film Transistors via Experiment and Theory","Journal of the American Chemical Society","2009","131","","5586","5608","10.1021/ja809555c","","","0.71073","MoKα","","0.0837","0.0436","","","0.0684","0.072","","","","","","1.033","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104205","12.1161","0.0005","21.7964","0.0009","8.5633","0.0002","90","","93.448","0.002","90","","2257.37","0.14","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 F6 Hg N4 O8 S2 -","- C16 H12 F6 Hg N4 O8 S2 -","- C64 H48 F24 Hg4 N16 O32 S8 -","4","1","","Sébastien Ulrich; Jean-Marie Lehn","Adaptation to Shape Switching by Component Selection in a Constitutional Dynamic System","Journal of the American Chemical Society","2009","131","","5546","5559","10.1021/ja809828g","","","0.71073","MoKα","","0.0751","0.0464","","","0.1032","0.1153","","","","","","1.028","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104206","8.9199","0.0003","25.1224","0.0011","14.8664","0.0004","90","","124.338","0.002","90","","2750.82","0.18","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F6 Hg N6 O7 S2 -","- C20 H22 F6 Hg N6 O7 S2 -","- C80 H88 F24 Hg4 N24 O28 S8 -","4","1","","Sébastien Ulrich; Jean-Marie Lehn","Adaptation to Shape Switching by Component Selection in a Constitutional Dynamic System","Journal of the American Chemical Society","2009","131","","5546","5559","10.1021/ja809828g","","","0.71073","MoKα","","0.0955","0.0456","","","0.1066","0.1439","","","","","","1.034","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104207","10.7211","0.0007","12.1059","0.0008","12.3438","0.0005","60.978","0.003","82.671","0.003","82.823","0.003","1385.79","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H21 F6 N7 O6 Pb S2 -","- C21 H21 F6 N7 O6 Pb S2 -","- C42 H42 F12 N14 O12 Pb2 S4 -","2","1","","Sébastien Ulrich; Jean-Marie Lehn","Adaptation to Shape Switching by Component Selection in a Constitutional Dynamic System","Journal of the American Chemical Society","2009","131","","5546","5559","10.1021/ja809828g","","","0.71073","MoKα","","0.0494","0.0398","","","0.0959","0.1156","","","","","","1.145","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104208","8.1415","0.0005","11.7218","0.0007","13.3147","0.0006","74.683","0.003","88.334","0.003","77.536","0.003","1196.12","0.12","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H21 Cl F3 N7 O3 Pb S -","- C19 H21 Cl F3 N7 O3 Pb S -","- C38 H42 Cl2 F6 N14 O6 Pb2 S2 -","2","1","","Sébastien Ulrich; Jean-Marie Lehn","Adaptation to Shape Switching by Component Selection in a Constitutional Dynamic System","Journal of the American Chemical Society","2009","131","","5546","5559","10.1021/ja809828g","","","0.71073","MoKα","","0.0654","0.0539","","","0.1303","0.137","","","","","","1.027","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104209","8.3621","0.0002","30.3182","0.0007","17.062","0.0003","90","","112.59","0.001","90","","3993.75","0.15","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 F6 N8 O7 Pb S2 -","- C27 H30 F6 N8 O7 Pb S2 -","- C108 H120 F24 N32 O28 Pb4 S8 -","4","1","","Sébastien Ulrich; Jean-Marie Lehn","Adaptation to Shape Switching by Component Selection in a Constitutional Dynamic System","Journal of the American Chemical Society","2009","131","","5546","5559","10.1021/ja809828g","","","0.71073","MoKα","","0.1348","0.0981","","","0.2565","0.2719","","","","","","1.155","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104210","28.179","0.002","12.7484","0.001","14.563","0.0006","90","","91.309","0.004","90","","5230.2","0.6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 F6 N6 O8 S2 Zn -","- C18 H20 F6 N6 O8 S2 Zn -","- C144 H160 F48 N48 O64 S16 Zn8 -","8","1","","Sébastien Ulrich; Jean-Marie Lehn","Adaptation to Shape Switching by Component Selection in a Constitutional Dynamic System","Journal of the American Chemical Society","2009","131","","5546","5559","10.1021/ja809828g","","","0.71073","MoKα","","0.1302","0.0763","","","0.2035","0.2417","","","","","","1.037","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104211","8.9789","0.0002","24.7904","0.0007","11.9554","0.0003","90","","92.939","0.002","90","","2657.66","0.12","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 F6 N6 O7 S2 Zn -","- C19 H20 F6 N6 O7 S2 Zn -","- C76 H80 F24 N24 O28 S8 Zn4 -","4","1","","Sébastien Ulrich; Jean-Marie Lehn","Adaptation to Shape Switching by Component Selection in a Constitutional Dynamic System","Journal of the American Chemical Society","2009","131","","5546","5559","10.1021/ja809828g","","","0.71073","MoKα","","0.0766","0.0563","","","0.1477","0.1588","","","","","","1.028","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104212","9.4644","0.0006","17.9359","0.0006","15.7593","0.001","90","","101.591","0.002","90","","2620.6","0.3","173","2","173","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C20 H21 F6 N7 O6 S2 Zn -","- C20 H21 F6 N7 O6 S2 Zn -","- C80 H84 F24 N28 O24 S8 Zn4 -","4","1","","Sébastien Ulrich; Jean-Marie Lehn","Adaptation to Shape Switching by Component Selection in a Constitutional Dynamic System","Journal of the American Chemical Society","2009","131","","5546","5559","10.1021/ja809828g","","","0.71073","MoKα","","0.1422","0.0747","","","0.1966","0.2324","","","","","","1.043","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104213","19.0721","0.001","19.0721","0.001","22.468","0.0007","90","","90","","120","","7077.7","0.6","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C44 H50 Al N4 O3 -","- C44 H45 Al N4 O3 -","- C264 H270 Al6 N24 O18 -","6","1","","Tomasz Kaczorowski; Iwona Justyniak; Teodozja Lipińska; Janusz Lipkowski; Janusz Lewiński","Metal Complexes of Cinchonine as Chiral Building Blocks: A Strategy for the Construction of Nanotubular Architectures and Helical Coordination Polymers","Journal of the American Chemical Society","2009","131","","5393","5395","10.1021/ja8098867","","","0.71073","MoKα","","0.0953","0.0837","","","0.2185","0.2313","","","","","","1.046","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104214","19.1799","0.0012","19.1799","0.0012","22.436","0.0008","90","","90","","120","","7147.7","0.7","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C43 H53 Al N4 O3 -","- C43 H53 Al N4 O3 -","- C258 H318 Al6 N24 O18 -","6","1","","Tomasz Kaczorowski; Iwona Justyniak; Teodozja Lipińska; Janusz Lipkowski; Janusz Lewiński","Metal Complexes of Cinchonine as Chiral Building Blocks: A Strategy for the Construction of Nanotubular Architectures and Helical Coordination Polymers","Journal of the American Chemical Society","2009","131","","5393","5395","10.1021/ja8098867","","","0.71073","MoKα","","0.1052","0.0853","","","0.2106","0.2216","","","","","","1.084","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104215","12.3231","0.0003","13.8581","0.0004","25.9692","0.0006","90","","90","","90","","4434.9","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H50 Al Cl3 N4 O3 Zn -","- C42 H50 Al Cl3 N4 O3 Zn -","- C168 H200 Al4 Cl12 N16 O12 Zn4 -","4","1","","Tomasz Kaczorowski; Iwona Justyniak; Teodozja Lipińska; Janusz Lipkowski; Janusz Lewiński","Metal Complexes of Cinchonine as Chiral Building Blocks: A Strategy for the Construction of Nanotubular Architectures and Helical Coordination Polymers","Journal of the American Chemical Society","2009","131","","5393","5395","10.1021/ja8098867","","","0.71073","MoKα","","0.0552","0.0495","","","0.1186","0.1234","","","","","","1.071","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104216","18.9541","0.0002","18.9541","0.0002","22.4362","0.0004","90","","90","","120","","6980.5","0.16","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C83 H92 Al2 Cl2 N8 O4 -","- C83 H92 Al2 Cl2 N8 O4 -","- C249 H276 Al6 Cl6 N24 O12 -","3","0.5","","Tomasz Kaczorowski; Iwona Justyniak; Teodozja Lipińska; Janusz Lipkowski; Janusz Lewiński","Metal Complexes of Cinchonine as Chiral Building Blocks: A Strategy for the Construction of Nanotubular Architectures and Helical Coordination Polymers","Journal of the American Chemical Society","2009","131","","5393","5395","10.1021/ja8098867","","","0.71073","MoKα","","0.0893","0.074","","","0.1796","0.2079","","","","","","1.058","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104217","12.259","0.005","14.235","0.004","17.56","0.001","98.111","0.002","103.836","0.005","111.26","0.008","2683.6","1.4","150","2","150","2","","","","","","","synthesis","6","P -1","-P 1","2","Dy(hfac)3(NITPhOEt)2","Tris(hexafluoroacetylacetonate) bis(2,4'-ethoxophenyl-4,4,5,5,-tetramethylimidazolidine -3-oxide-1-oxyl) dysprosium","","- C45 H45 Dy F18 N4 O12 -","- C45 H45 Dy F18 N4 O12 -","- C90 H90 Dy2 F36 N8 O24 -","2","1","","Kevin Bernot; Javier Luzon; Lapo Bogani; Mael Etienne; Claudio Sangregorio; Muralidharan Shanmugam; Andrea Caneschi; Roberta Sessoli; Dante Gatteschi","Magnetic Anisotropy of Dysprosium(III) in a Low-Symmetry Environment: A Theoretical and Experimental Investigation","Journal of the American Chemical Society","2009","131","","5573","5579","10.1021/ja8100038","","","0.71073","MoKα","","0.0959","0.0669","","","0.1667","0.1875","","","","","","0.948","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104218","6.9774","0.0005","7.2895","0.0006","15.4878","0.0011","79.058","0.003","78.262","0.002","71.287","0.003","723.87","0.1","123","1","123","1","","","","","","","","5","P -1","-P 1","2","Nb-complex","","","- C10 H20 Cl3 Nb O2 -","- C10 H20 Cl3 Nb O2 -","- C20 H40 Cl6 Nb2 O4 -","2","1","","Rocío Arteaga-Müller; Hayato Tsurugi; Teruhiko Saito; Masao Yanagawa; Seiji Oda; Kazushi Mashima","New Tantalum Ligand-Free Catalyst System for Highly Selective Trimerization of Ethylene Affording 1-Hexene: New Evidence of a Metallacycle Mechanism","Journal of the American Chemical Society","2009","131","","5370","5371","10.1021/ja8100837","","","0.71075","MoKα","","0.0242","0.021","","","0.0504","0.0632","","","","","","1.166","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104219","44.283","0.009","31.672","0.006","37.209","0.007","90","","105.33","0.03","90","","50330","18","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cucurbit[8]uril","","","- C348 H412.4 N198 O111.2 -","- C348 H412.4 N198 O111.2 -","- C1392 H1649.6 N792 O444.8 -","4","1","","David Bardelang; Karol Banaszak; Hakim Karoui; Antal Rockenbauer; Mélanie Waite; Konstantin Udachin; John A. Ripmeester; Christopher I. Ratcliffe; Olivier Ouari; Paul Tordo","Probing Cucurbituril Assemblies in Water with TEMPO-like Nitroxides: A Trinitroxide Supraradical with Spin-Spin Interactions","Journal of the American Chemical Society","2009","131","","5402","5404","10.1021/ja900306m","","","0.7107","MoKα","","0.128","0.1048","","","0.3196","0.3393","","","","","","1.361","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104220","7.9321","0.0002","14.3792","0.0003","19.7073","0.0004","90","","90","","90","","2247.76","0.09","193","2","193","2","","","","","","","chemical synthesis","4","P 21 21 21","P 2ac 2ab","19","MeOlBrEta","(3Z,5E,8S,11E,14S)-5-(4-Bromobenzoyl)-4-ethyl-8,14- dimethyloxacyclotetradeca-3,5,11-trien-2-one","","- C24 H29 Br O3 -","- C24 H29 Br O3 -","- C96 H116 Br4 O12 -","4","1","","Tuoping Luo; Stuart L. Schreiber","Gold(I)-Catalyzed Coupling Reactions for the Synthesis of Diverse Small Molecules Using the Build/Couple/Pair Strategy","Journal of the American Chemical Society","2009","131","","5667","5674","10.1021/ja900414s","","","0.71073","MoKα","","0.0432","0.0337","","","0.0794","0.0832","","","","","","1.028","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104221","9.2087","0.0004","10.9551","0.0005","14.8595","0.0008","110.493","0.003","92.371","0.003","108.7","0.002","1309.98","0.12","173","","","","","","","","","","LOC ETH Zurich","9","P -1","-P 1","2","","","","- C19 H18 Cl4 Cu F3 N2 O3 Pt S -","- C19 H18 Cl4 Cu F3 N2 O3 Pt S -","- C38 H36 Cl8 Cu2 F6 N4 O6 Pt2 S2 -","2","1","","Marc-Etienne Moret; Peter Chen","Interaction of Organoplatinum(II) Complexes with Monovalent Coinage Metal Triflates","Journal of the American Chemical Society","2009","131","","5675","5690","10.1021/ja900449y","","","0.71073","MoKα","","0.0932","0.0816","","","0.2013","0.2142","","","","","","1.174","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104222","10.6556","0.0012","12.1622","0.0013","12.6936","0.0013","110.231","0.012","105.478","0.011","90.209","0.01","1479.2","0.3","220","2","220","2","","","","","","","","9","P -1","-P 1","2","","","","- C50 H48 Ag2 Cl8 F6 N4 O6 Pt2 S2 -","- C50 H48 Ag2 Cl8 F6 N4 O6 Pt2 S2 -","- C50 H48 Ag2 Cl8 F6 N4 O6 Pt2 S2 -","1","0.5","","Marc-Etienne Moret; Peter Chen","Interaction of Organoplatinum(II) Complexes with Monovalent Coinage Metal Triflates","Journal of the American Chemical Society","2009","131","","5675","5690","10.1021/ja900449y","","","0.7107","MoKα","","0.0321","0.0302","","","0.0786","0.0801","","","","","","1.026","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104223","19.8903","0.0004","18.8114","0.0005","17.0905","0.0003","90","","110.037","0.0013","90","","6007.6","0.2","203","","","","","","","","","","LOC ETH Zurich","9","C 1 2/c 1","-C 2yc","15","","","","- C57 H44 Cl8 Cu F3 N4 O3 Pt2 S -","- C57 H44 Cl8 Cu F3 N4 O3 Pt2 S -","- C228 H176 Cl32 Cu4 F12 N16 O12 Pt8 S4 -","4","0.5","","Marc-Etienne Moret; Peter Chen","Interaction of Organoplatinum(II) Complexes with Monovalent Coinage Metal Triflates","Journal of the American Chemical Society","2009","131","","5675","5690","10.1021/ja900449y","","","0.71073","MoKα","","0.0482","0.0381","","","0.1085","0.1218","","","","","","0.86","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104224","11.9459","0.0003","31.7926","0.0005","15.7455","0.0003","90","","95.2584","0.0007","90","","5954.8","0.2","223","","","","","","","","","","LOC laboratory","9","P 1 21/c 1","-P 2ybc","14","","","","- C57 H44 Ag2 Cl8 F3 N4 O3 Pt2 S -","- C57 H44 Ag Cl8 F3 N4 O3 Pt2 S -","- C228 H176 Ag4 Cl32 F12 N16 O12 Pt8 S4 -","4","1","","Marc-Etienne Moret; Peter Chen","Interaction of Organoplatinum(II) Complexes with Monovalent Coinage Metal Triflates","Journal of the American Chemical Society","2009","131","","5675","5690","10.1021/ja900449y","","","0.71073","MoKα","","0.1143","0.0776","","","","0.221","","","","","","1.251","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104225","26.1863","0.0005","19.3506","0.0003","10.1987","0.0002","90","","90","","90","","5167.89","0.16","223","","","","","","","","","","LOC ETH Zurich","9","P n m a","-P 2ac 2n","62","","","","- C48 H40 Ag2 Cl4 F6 N2 O6 Pt S2 -","- C48 H40 Ag2 Cl4 F6 N2 O6 Pt S2 -","- C192 H160 Ag8 Cl16 F24 N8 O24 Pt4 S8 -","4","0.5","","Marc-Etienne Moret; Peter Chen","Interaction of Organoplatinum(II) Complexes with Monovalent Coinage Metal Triflates","Journal of the American Chemical Society","2009","131","","5675","5690","10.1021/ja900449y","","","0.71073","MoKα","","0.0761","0.0517","","","0.1449","0.1608","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104226","12.618","0.0002","12.8711","0.0003","17.6498","0.0004","77.4279","0.0011","80.5915","0.001","69.5194","0.0009","2608.91","0.1","223","","","","","","","","","","LOC ETH Zurich","9","P -1","-P 1","2","","","","- C34 H28 Cl10 Cu3 F9 N2 O9 Pt S3 -","- C34 H28 Cl10 Cu3 F9 N2 O9 Pt S3 -","- C68 H56 Cl20 Cu6 F18 N4 O18 Pt2 S6 -","2","1","","Marc-Etienne Moret; Peter Chen","Interaction of Organoplatinum(II) Complexes with Monovalent Coinage Metal Triflates","Journal of the American Chemical Society","2009","131","","5675","5690","10.1021/ja900449y","","","0.71073","MoKα","","0.0656","0.0522","","","0.1432","0.1555","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104227","10.1359","0.0002","14.4793","0.0002","19.7264","0.0003","90","","90","","90","","2895.06","0.08","173","","","","","","","","","","LOC ETH Zurich","8","P b c m","-P 2c 2b","57","","","","- C21 H23 Cl6 F3 N2 O3 Pt S -","- C21 H23 Cl6 F3 N2 O3 Pt S -","- C84 H92 Cl24 F12 N8 O12 Pt4 S4 -","4","0.5","","Marc-Etienne Moret; Peter Chen","Interaction of Organoplatinum(II) Complexes with Monovalent Coinage Metal Triflates","Journal of the American Chemical Society","2009","131","","5675","5690","10.1021/ja900449y","","","0.71073","MoKα","","0.0511","0.0456","","","0.1552","0.1604","","","","","","1.243","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104228","11.8953","0.0012","3.743","0.0003","11.61","0.001","90","","90","","90","","516.92","0.08","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","CaFe4As3","","","- As3 Ca Fe4 -","- As3 Ca Fe4 -","- As12 Ca4 Fe16 -","4","0.5","","Iliya Todorov; Duck Young Chung; Christos D. Malliakas; Quing'an Li; Thomas Bakas; Alexios Douvalis; Giancarlo Trimarchi; Kenneth Gray; John F. Mitchell; Arthur J. Freeman; Mercouri G. Kanatzidis","CaFe4As3: A Metallic Iron Arsenide with Anisotropic Magnetic and Charge-Transport Properties","Journal of the American Chemical Society","2009","131","","5405","5407","10.1021/ja900534h","","","0.71073","MoKα","","0.0527","0.0308","","","0.0628","0.0656","","","","","","0.843","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104229","11.8649","0.0006","3.7309","0.0002","11.5611","0.0007","90","","90","","90","","511.77","0.05","100","0.3","100","0.3","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- As3 Ca Fe4 -","- As3 Ca Fe4 -","- As12 Ca4 Fe16 -","4","0.5","","Iliya Todorov; Duck Young Chung; Christos D. Malliakas; Quing'an Li; Thomas Bakas; Alexios Douvalis; Giancarlo Trimarchi; Kenneth Gray; John F. Mitchell; Arthur J. Freeman; Mercouri G. Kanatzidis","CaFe4As3: A Metallic Iron Arsenide with Anisotropic Magnetic and Charge-Transport Properties","Journal of the American Chemical Society","2009","131","","5405","5407","10.1021/ja900534h","","","0.71073","MoKα","","0.052","0.0495","","","0.0909","0.0923","","","","","","1.188","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104230","11.8656","0.0007","3.7322","0.0002","11.5622","0.0007","90","","90","","90","","512.03","0.05","80","0.3","80","0.3","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- As3 Ca Fe4 -","- As3 Ca Fe4 -","- As12 Ca4 Fe16 -","4","0.5","","Iliya Todorov; Duck Young Chung; Christos D. Malliakas; Quing'an Li; Thomas Bakas; Alexios Douvalis; Giancarlo Trimarchi; Kenneth Gray; John F. Mitchell; Arthur J. Freeman; Mercouri G. Kanatzidis","CaFe4As3: A Metallic Iron Arsenide with Anisotropic Magnetic and Charge-Transport Properties","Journal of the American Chemical Society","2009","131","","5405","5407","10.1021/ja900534h","","","0.71073","MoKα","","0.0547","0.0516","","","0.0769","0.0783","","","","","","1.186","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104231","11.852","0.003","3.7352","0.0006","11.549","0.0018","90","","90","","90","","511.27","0.17","15","2","15","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- As3 Ca Fe4 -","- As3 Ca Fe4 -","- As12 Ca4 Fe16 -","4","0.5","","Iliya Todorov; Duck Young Chung; Christos D. Malliakas; Quing'an Li; Thomas Bakas; Alexios Douvalis; Giancarlo Trimarchi; Kenneth Gray; John F. Mitchell; Arthur J. Freeman; Mercouri G. Kanatzidis","CaFe4As3: A Metallic Iron Arsenide with Anisotropic Magnetic and Charge-Transport Properties","Journal of the American Chemical Society","2009","131","","5405","5407","10.1021/ja900534h","","","0.71073","MoKα","","0.0846","0.0724","","","0.1832","0.1999","","","","","","1.316","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104232","11.8724","0.0003","22.1908","0.0005","39.4936","0.0013","90","","90","","90","","10404.9","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Brom-penta(di-tert.-butylphosphan)alan(4)","","","- C40 H90 Al4 Br P5 -","- C40 H90 Al4 Br P5 -","- C320 H720 Al32 Br8 P40 -","8","1","","Patrick Henke; Michael Huber; Jochen Steiner; Kit Bowen; Bryan Eichhorn; Hansgeorg Schnöckel","Al4(PtBu2)6- a Derivative of Al4H6- and Other Al4 Species: A Challenge for Bonding Interpretation between Zintl Ions and Metalloid Clusters","Journal of the American Chemical Society","2009","131","","5698","5704","10.1021/ja9007563","","","0.71073","MoKα","","0.0563","0.0447","","","0.1093","0.1163","","","","","","1.059","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104233","21.104","0.0014","12.4808","0.0008","23.3842","0.0015","90","","96.406","0.005","90","","6120.8","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexa(di-tert.-butylphoshan)alan(4)","Hexa(di-tert.-butylphoshan)alan(4)","","- C48 H108 Al4 P6 -","- C48 H108 Al4 P6 -","- C192 H432 Al16 P24 -","4","1","","Patrick Henke; Michael Huber; Jochen Steiner; Kit Bowen; Bryan Eichhorn; Hansgeorg Schnöckel","Al4(PtBu2)6- a Derivative of Al4H6- and Other Al4 Species: A Challenge for Bonding Interpretation between Zintl Ions and Metalloid Clusters","Journal of the American Chemical Society","2009","131","","5698","5704","10.1021/ja9007563","","","0.71073","MoKα","","0.0796","0.0386","","","0.0746","0.0828","","","","","","0.827","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104234","11.666","0.002","12.902","0.003","18.331","0.004","90.96","0.03","106.39","0.03","99.6","0.03","2604","1.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Penta(di-tert.-butylphosphan)galan(3)","","","- C40 H90 Ga3 P5 -","- C40 H90 Ga3 P5 -","- C80 H180 Ga6 P10 -","2","1","","Patrick Henke; Michael Huber; Jochen Steiner; Kit Bowen; Bryan Eichhorn; Hansgeorg Schnöckel","Al4(PtBu2)6- a Derivative of Al4H6- and Other Al4 Species: A Challenge for Bonding Interpretation between Zintl Ions and Metalloid Clusters","Journal of the American Chemical Society","2009","131","","5698","5704","10.1021/ja9007563","","","0.71073","MoKα","","0.0648","0.0321","","","0.0681","0.0743","","","","","","0.827","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104235","6.436","0.003","11.931","0.006","8.232","0.004","90","","98.125","0.006","90","","625.8","0.5","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C28 H30 N2 O6 -","2","1","","Vinod Tarwade; Xiaozhong Liu; Ni Yan; Joseph M. Fox","Directed Carbozincation Reactions of Cyclopropene Derivatives","Journal of the American Chemical Society","2009","131","","5382","5383","10.1021/ja900949n","","","0.71073","MoKα","","0.0796","0.0615","","","0.1543","0.1691","","","","","","1.08","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104236","10.16","0.005","6.033","0.003","11.43","0.006","90","","104.658","0.006","90","","677.8","0.6","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C30 H34 N2 O6 -","2","1","","Vinod Tarwade; Xiaozhong Liu; Ni Yan; Joseph M. Fox","Directed Carbozincation Reactions of Cyclopropene Derivatives","Journal of the American Chemical Society","2009","131","","5382","5383","10.1021/ja900949n","","","0.71073","MoKα","","0.0467","0.0432","","","0.1075","0.1106","","","","","","1.07","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104237","8.21","0.003","7.441","0.002","12.614","0.004","90","","95.165","0.005","90","","767.5","0.4","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 I N O3 -","- C15 H16 I N O3 -","- C30 H32 I2 N2 O6 -","2","1","","Vinod Tarwade; Xiaozhong Liu; Ni Yan; Joseph M. Fox","Directed Carbozincation Reactions of Cyclopropene Derivatives","Journal of the American Chemical Society","2009","131","","5382","5383","10.1021/ja900949n","","","0.71073","MoKα","","0.044","0.0425","","","0.1075","0.1089","","","","","","1.056","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104238","7.597","0.003","8.055","0.003","14.471","0.006","90","","95.477","0.009","90","","881.5","0.6","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C42 H42 N2 O6 -","2","1","","Vinod Tarwade; Xiaozhong Liu; Ni Yan; Joseph M. Fox","Directed Carbozincation Reactions of Cyclopropene Derivatives","Journal of the American Chemical Society","2009","131","","5382","5383","10.1021/ja900949n","","","0.71073","MoKα","","0.0788","0.0554","","","0.1255","0.14","","","","","","1.054","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104239","12.8381","0.0006","14.0439","0.0007","17.3667","0.0008","102.684","0.001","90.381","0.001","106.738","0.001","2917.1","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H59 B F15 N4 O0.5 U -","- C56 H59 B F15 N4 O0.5 U -","- C112 H118 B2 F30 N8 O U2 -","2","1","","Alexander R. Fox; Christopher C. Cummins","Uranium-Nitrogen Multiple Bonding: The Case of a Four-Coordinate Uranium(VI) Nitridoborate Complex","Journal of the American Chemical Society","2009","131","","5716","5717","10.1021/ja8095812","","","0.71073","MoKα","","0.0728","0.042","","","0.0981","0.1099","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104240","12.1153","0.0016","13.9807","0.0018","23.246","0.003","83.463","0.002","78.237","0.002","88.23","0.003","3829.5","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H95 B F15 N5 O0.5 U -","- C72 H95 B F15 N5 O0.5 U -","- C144 H190 B2 F30 N10 O U2 -","2","1","","Alexander R. Fox; Christopher C. Cummins","Uranium-Nitrogen Multiple Bonding: The Case of a Four-Coordinate Uranium(VI) Nitridoborate Complex","Journal of the American Chemical Society","2009","131","","5716","5717","10.1021/ja8095812","","","0.71073","MoKα","","0.0657","0.0431","","","0.0877","0.0956","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104241","10.927","0.0002","15.35","0.0002","20.204","0.0004","90","","90.861","0.0009","90","","3388.42","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H48 B2 N2 -","- C39 H48 B2 N2 -","- C156 H192 B8 N8 -","4","1","","Kelly E. Krahulic; Heikki M. Tuononen; Masood Parvez; Roland Roesler","Isolation of Free Phenylide-like Carbanions with N-Heterocyclic Carbene Frameworks","Journal of the American Chemical Society","2009","131","","5858","5865","10.1021/ja9001234","","","0.71073","MoKα","","0.0785","0.0514","","","0.1278","0.1458","","","","","","1.014","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104242","10.564","0.003","14.397","0.005","20.578","0.005","90","","91.09","0.015","90","","3129.1","1.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H50 B2 N4 -","- C31 H50 B2 N4 -","- C124 H200 B8 N16 -","4","1","","Kelly E. Krahulic; Heikki M. Tuononen; Masood Parvez; Roland Roesler","Isolation of Free Phenylide-like Carbanions with N-Heterocyclic Carbene Frameworks","Journal of the American Chemical Society","2009","131","","5858","5865","10.1021/ja9001234","","","0.71073","MoKα","","0.1027","0.053","","","0.1216","0.1459","","","","","","1.028","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104243","11.411","0.002","13.544","0.002","21.362","0.004","74.015","0.01","78.738","0.01","68.096","0.011","2928.8","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H87 B2 K N2 O8 -","- C59 H87 B2 K N2 O8 -","- C118 H174 B4 K2 N4 O16 -","2","1","","Kelly E. Krahulic; Heikki M. Tuononen; Masood Parvez; Roland Roesler","Isolation of Free Phenylide-like Carbanions with N-Heterocyclic Carbene Frameworks","Journal of the American Chemical Society","2009","131","","5858","5865","10.1021/ja9001234","","","0.71073","MoKα","","0.0721","0.0462","","","0.1129","0.1313","","","","","","0.962","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104244","26.323","0.004","15.078","0.004","15.509","0.006","90","","90","","90","","6155","3","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C58 H98 B2 K N4 O8 -","- C58 H98 B2 K N4 O8 -","- C232 H392 B8 K4 N16 O32 -","4","0.5","","Kelly E. Krahulic; Heikki M. Tuononen; Masood Parvez; Roland Roesler","Isolation of Free Phenylide-like Carbanions with N-Heterocyclic Carbene Frameworks","Journal of the American Chemical Society","2009","131","","5858","5865","10.1021/ja9001234","","","0.71073","MoKα","","0.1051","0.075","","","0.187","0.2073","","","","","","1.068","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104245","11.9818","0.0002","13.7937","0.0002","16.2215","0.0003","78.109","0.001","72.759","0.001","83.782","0.001","2502.37","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H64 N2 Ni2 O2 P2 -","- C45 H63 N2 Ni2 O3 P2 -","- C90 H126 N4 Ni4 O6 P4 -","2","1","","Brandon A. Rodriguez; Massimiliano Delferro; Tobin J. Marks","Bimetallic Effects for Enhanced Polar Comonomer Enchainment Selectivity in Catalytic Ethylene Polymerization","Journal of the American Chemical Society","2009","131","","5902","5919","10.1021/ja900257k","","","1.54178","CuKα","","0.332","0.0919","","","0.6514","0.2475","","","","","","3.433","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104246","10.436","0.008","14.22","0.012","27.63","0.02","90","","92.307","0.018","90","","4097","6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ni2BisO=PMe3","","","- C44 H64 N2 Ni2 O2 P2 -","- C42 H49 N2 Ni O4 P2 -","- C168 H196 N8 Ni4 O16 P8 -","4","1","","Brandon A. Rodriguez; Massimiliano Delferro; Tobin J. Marks","Bimetallic Effects for Enhanced Polar Comonomer Enchainment Selectivity in Catalytic Ethylene Polymerization","Journal of the American Chemical Society","2009","131","","5902","5919","10.1021/ja900257k","","","1.54178","CuKα","","0.1143","0.0836","","","0.2469","0.2733","","","","","","1.018","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104247","8.6581","0.001","9.8765","0.0012","12.8693","0.0016","92.919","0.002","103.854","0.002","113.448","0.002","966.9","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C42 H60 O6 -","2","1","","Pallavi Sharma; Barry Lygo; William Lewis; John E. Moses","Biomimetic Synthesis and Structural Reassignment of the Tridachiahydropyrones","Journal of the American Chemical Society","2009","131","","5966","5972","10.1021/ja900369z","","","0.71073","MoKα","","0.0628","0.0496","","","0.1258","0.1341","","","","","","1.071","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104248","10.2794","0.0012","11.535","0.0014","16.1121","0.0019","90","","96.466","0.002","90","","1898.3","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","","Pallavi Sharma; Barry Lygo; William Lewis; John E. Moses","Biomimetic Synthesis and Structural Reassignment of the Tridachiahydropyrones","Journal of the American Chemical Society","2009","131","","5966","5972","10.1021/ja900369z","","","0.71073","MoKα","","0.0622","0.047","","","0.1168","0.1247","","","","","","1.006","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104249","18.3808","0.0007","11.6486","0.0004","23.6805","0.0009","90","","97.353","0.001","90","","5028.6","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DpppNippbbbme2, MeCN","","","- C59 H61 N3 Ni P4 -","- C59 H61 N3 Ni P4 -","- C236 H244 N12 Ni4 P16 -","4","1","","Jenny Y. Yang; R. Morris Bullock; Wendy J. Shaw; Brendan Twamley; Kendra Fraze; M. Rakowski DuBois; Daniel L. DuBois","Mechanistic Insights into Catalytic H2 Oxidation by Ni Complexes Containing a Diphosphine Ligand with a Positioned Amine Base","Journal of the American Chemical Society","2009","131","","5935","5945","10.1021/ja900483x","","","0.71073","MoKα","","0.0655","0.0406","","","0.0886","0.0999","","","","","","1.013","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104250","11.9614","0.0007","18.5134","0.0011","29.4975","0.0019","90","","92.783","0.004","90","","6524.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Boc-Gpn-Aib-Gpn-Aib-Gpn-Aib-Gpn-Aib-OMe","","","- C58 H100 N8 O11 -","- C58 H100 N8 O11 -","- C232 H400 N32 O44 -","4","1","","Sunanda Chatterjee; Prema G. Vasudev; Srinivasarao Raghothama; Chandrasekharan Ramakrishnan; Narayanaswamy Shamala; Padmanabhan Balaram","Expanding the Peptide β-Turn in αγ Hybrid Sequences: 12 Atom Hydrogen Bonded Helical and Hairpin Turns","Journal of the American Chemical Society","2009","131","","5956","5965","10.1021/ja900618h","","","0.71073","MoKα","","0.4058","0.0731","","","0.1569","0.2858","","","","","","0.806","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104251","9.558","0.0011","26.278","0.003","27.434","0.003","90","","90","","90","","6890.5","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Phe-Val-Aib-Gpn-Leu-Phe-Val-OMe","","","- C63 H100 N8 O12 -","- C63 H100 N8 O12 -","- C252 H400 N32 O48 -","4","1","","Sunanda Chatterjee; Prema G. Vasudev; Srinivasarao Raghothama; Chandrasekharan Ramakrishnan; Narayanaswamy Shamala; Padmanabhan Balaram","Expanding the Peptide β-Turn in αγ Hybrid Sequences: 12 Atom Hydrogen Bonded Helical and Hairpin Turns","Journal of the American Chemical Society","2009","131","","5956","5965","10.1021/ja900618h","","","0.71073","MoKα","","0.145","0.1235","","","0.2948","0.3128","","","","","","1.087","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104252","14.973","0.0011","20.7674","0.0012","28.0225","0.0015","90","","90.211","0.005","90","","8713.5","0.9","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C87 H128 P8 Sm4 -","- C86 H120 P8 Sm4 -","- C344 H480 P32 Sm16 -","4","0.5","","Sergey N. Konchenko; Nikolay A. Pushkarevsky; Michael T. Gamer; Ralf Köppe; Hansgeorg Schnöckel; Peter W. Roesky","[{(η5-C5Me5)2Sm}4P8]: A Molecular Polyphosphide of the Rare-Earth Elements","Journal of the American Chemical Society","2009","131","","5740","5741","10.1021/ja901045m","","","0.71073","MoKα","","0.0717","0.0434","","","0.0884","0.0943","","","","","","1.008","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104253","7.591","0.001","14.08","0.002","14.268","0.003","94.31","0.01","103.19","0.01","90.93","0.01","1479.7","0.4","286","2","286","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H44 N2 O5 Si -","- C29 H44 N2 O5 Si -","- C58 H88 N4 O10 Si2 -","2","1","","Min Zhang; Xiaoping Huang; Liqun Shen; Yong Qin","Total Synthesis of the Akuammiline Alkaloid (\±)-Vincorine","Journal of the American Chemical Society","2009","131","","6013","6020","10.1021/ja901219v","","","0.71073","MoKα","","0.0966","0.0533","","","0.1101","0.1211","","","","","","1.002","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104254","6.705","0.002","7.022","0.002","34.126","0.01","90","","90","","90","","1606.7","0.8","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 O6 Si -","- C12 H26 O6 Si -","- C48 H104 O24 Si4 -","4","1","","Sang Min Lim; Nicholas Hill; Andrew G. Myers","A Method for the Preparation of Differentiatedtrans-1,2-Diol Derivatives with Enantio- and Diastereocontrol","Journal of the American Chemical Society","2009","131","","5763","5765","10.1021/ja901283q","","","0.71073","MoKα","","0.0722","0.0617","","","0.1086","0.1124","","","","","","1.159","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104255","7.4443","0.0003","20.6728","0.0009","12.0342","0.0005","90","","93.972","0.002","90","","1847.55","0.13","193","2","193","2","","","","","","","chemical synthesis","5","P 1 21 1","P 2yb","4","B259","(1R,3R,4R,6R)-4,6-Bis(tert-butyldimethylsilyloxy)cyclohexane-1,3-diyl Bis(4-bromobenzoate)","","- C32 H46 Br2 O6 Si2 -","- C32 H46 Br2 O6 Si2 -","- C64 H92 Br4 O12 Si4 -","2","1","","Sang Min Lim; Nicholas Hill; Andrew G. Myers","A Method for the Preparation of Differentiatedtrans-1,2-Diol Derivatives with Enantio- and Diastereocontrol","Journal of the American Chemical Society","2009","131","","5763","5765","10.1021/ja901283q","","","0.71073","MoKα","","0.0351","0.0284","","","0.0691","0.0718","","","","","","1.033","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104256","12.1872","0.0002","10.3016","0.0002","18.9412","0.0004","90","","123.631","0.001","90","","1979.99","0.07","193","2","193","2","","","","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","RAS-2-233","Methyl 2-(1-(<i>tert</i>-butoxycarbonyloxy)-2-methylpropyl)-4,4- dimethyl-3,5-dioxopyrrolidine-2-carboxylate","","- C17 H27 N O7 -","- C17 H27 N O7 -","- C68 H108 N4 O28 -","4","1","","Ryan A. Shenvi; E. J. Corey","A Short and Efficient Synthesis of (-)-7-Methylomuralide, a Potent Proteasome Inhibitor","Journal of the American Chemical Society","2009","131","","5746","5747","10.1021/ja901400q","","","0.71073","MoKα","","0.0627","0.0442","","","0.1141","0.1271","","","","","","1.023","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104257","9.0015","0.0001","9.14","0.0001","12.5776","0.0001","88.129","0.001","78.693","0.001","88.859","0.001","1014.08","0.018","193","2","193","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","RAS-2-OCbz","Methyl 2-(1-(benzyloxycarbonyloxy)-2-methylpropyl)-4,4- dimethyl-3,5-dioxopyrrolidine-2-carboxylate","","- C20 H25 N O7 -","- C20 H25 N O7 -","- C40 H50 N2 O14 -","2","1","","Ryan A. Shenvi; E. J. Corey","A Short and Efficient Synthesis of (-)-7-Methylomuralide, a Potent Proteasome Inhibitor","Journal of the American Chemical Society","2009","131","","5746","5747","10.1021/ja901400q","","","0.71073","MoKα","","0.044","0.0374","","","0.0992","0.1044","","","","","","1.041","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104258","10.3987","0.0006","18.6372","0.001","9.2437","0.0005","90","","111.409","0.001","90","","1667.84","0.16","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl2 O6 -","- C17 H16 Cl2 O6 -","- C68 H64 Cl8 O24 -","4","1","","Scott A. Snyder; Zhen-Yu Tang; Ritu Gupta","Enantioselective Total Synthesis of (-)-Napyradiomycin A1 via Asymmetric Chlorination of an Isolated Olefin","Journal of the American Chemical Society","2009","131","","5744","5745","10.1021/ja9014716","","","0.71073","MoKα","","0.055","0.0495","","","0.1424","0.1465","","","","","","1.097","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104259","12.199","0.0005","12.4156","0.0005","16.1018","0.0007","73.056","0.004","82.456","0.004","85.222","0.004","2310.08","0.17","110","","110","","","","","","","","","8","P -1","-P 1","2","","","","- C47.47 H27.94 B Cl1.94 Cu F20 N3 O -","- C47.47 H27.94 B Cl1.94 Cu F20 N3 O -","- C94.94 H55.88 B2 Cl3.88 Cu2 F40 N6 O2 -","2","1","","Heather R. Lucas; Lei Li; Amy A. Narducci Sarjeant; Michael A. Vance; Edward I. Solomon; Kenneth D. Karlin","Toluene and Ethylbenzene Aliphatic C-H Bond Oxidations Initiated by a Dicopper(II)-μ-1,2-Peroxo Complex","Journal of the American Chemical Society","2009","131","","3230","3245","10.1021/ja807081d","","","0.71073","MoKα","","0.0692","0.05","","","0.1069","0.1173","","","","","","1.097","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104260","9.1046","0.0005","30.057","0.007","9.638","0.0005","90","","91.63","0.004","90","","2636.4","0.6","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20.24 H23.48 Cl2 Cu N3 O9 -","- C20.24 H23.48 Cl2 Cu N3 O9 -","- C80.96 H93.92 Cl8 Cu4 N12 O36 -","4","1","","Heather R. Lucas; Lei Li; Amy A. Narducci Sarjeant; Michael A. Vance; Edward I. Solomon; Kenneth D. Karlin","Toluene and Ethylbenzene Aliphatic C-H Bond Oxidations Initiated by a Dicopper(II)-μ-1,2-Peroxo Complex","Journal of the American Chemical Society","2009","131","","3230","3245","10.1021/ja807081d","","","0.71073","MoKα","","0.0832","0.0565","","","0.1353","0.1433","","","","","","1.053","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104261","8.0704","0.001","17.337","0.003","17.499","0.002","107.807","0.012","90.416","0.01","91.68","0.011","2329.8","0.6","","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H30 B Cu F20 N4 O -","- C49 H30 B Cu F20 N4 O -","- C98 H60 B2 Cu2 F40 N8 O2 -","2","1","","Heather R. Lucas; Lei Li; Amy A. Narducci Sarjeant; Michael A. Vance; Edward I. Solomon; Kenneth D. Karlin","Toluene and Ethylbenzene Aliphatic C-H Bond Oxidations Initiated by a Dicopper(II)-μ-1,2-Peroxo Complex","Journal of the American Chemical Society","2009","131","","3230","3245","10.1021/ja807081d","","","0.71073","MoKα","","0.0646","0.0412","","","0.1151","0.1195","","","","","","1.103","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104262","17.232","0.003","18.005","0.006","18.767","0.006","115.41","0.03","109.99","0.02","94.716","0.019","4759","3","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C195.6 H122 B4 Cu4 F80 N12 O11.4 -","- C195.6 H122 B4 Cu4 F80 N12 O11.4 -","- C195.6 H122 B4 Cu4 F80 N12 O11.4 -","1","0.5","","Heather R. Lucas; Lei Li; Amy A. Narducci Sarjeant; Michael A. Vance; Edward I. Solomon; Kenneth D. Karlin","Toluene and Ethylbenzene Aliphatic C-H Bond Oxidations Initiated by a Dicopper(II)-μ-1,2-Peroxo Complex","Journal of the American Chemical Society","2009","131","","3230","3245","10.1021/ja807081d","","","0.71073","MoKα","","0.257","0.0883","","","0.158","0.2072","","","","","","0.868","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104263","12.33","0.002","12.7247","0.0017","14.7999","0.0018","74.404","0.011","84.914","0.012","80.369","0.012","2202.7","0.6","","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H56 B2 Cu2 F40 N6 O4 -","- C94 H56 B2 Cu2 F40 N6 O4 -","- C94 H56 B2 Cu2 F40 N6 O4 -","1","0.5","","Heather R. Lucas; Lei Li; Amy A. Narducci Sarjeant; Michael A. Vance; Edward I. Solomon; Kenneth D. Karlin","Toluene and Ethylbenzene Aliphatic C-H Bond Oxidations Initiated by a Dicopper(II)-μ-1,2-Peroxo Complex","Journal of the American Chemical Society","2009","131","","3230","3245","10.1021/ja807081d","","","0.71073","MoKα","","0.0561","0.0375","","","0.1004","0.105","","","","","","1.11","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104264","13.023","0.003","13.409","0.004","15.048","0.003","112.14","0.03","104.071","0.019","97.69","0.02","2285.4","1.2","","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C48.5 H30 B Cu F20 N4 -","- C48.5 H30 B Cu F20 N4 -","- C97 H60 B2 Cu2 F40 N8 -","2","1","","Heather R. Lucas; Lei Li; Amy A. Narducci Sarjeant; Michael A. Vance; Edward I. Solomon; Kenneth D. Karlin","Toluene and Ethylbenzene Aliphatic C-H Bond Oxidations Initiated by a Dicopper(II)-μ-1,2-Peroxo Complex","Journal of the American Chemical Society","2009","131","","3230","3245","10.1021/ja807081d","","","0.71073","MoKα","","0.1394","0.0612","","","0.0916","0.1076","","","","","","0.907","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104265","6.589","0.0018","10.395","0.003","6.6896","0.0019","90","","115.963","0.002","90","","411.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H5 Cl3 Ti -","- C5 H5 Cl3 Ti -","- C10 H10 Cl6 Ti2 -","2","0.5","","Aaron J. Rossini; Ryan W. Mills; Graham A. Briscoe; Erin L. Norton; Stephen J. Geier; Ivan Hung; Shaohui Zheng; Jochen Autschbach; Robert W. Schurko","Solid-State Chlorine NMR of Group IV Transition Metal Organometallic Complexes","Journal of the American Chemical Society","2009","131","","3317","3330","10.1021/ja808390a","","","0.71073","MoKα","","0.0344","0.0309","","","0.0811","0.0845","","","","","","1.104","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104266","16.267","0.0013","14.9046","0.0011","26.8138","0.0018","90","","90","","90","","6501.1","0.8","100","0.2","100","0.2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C29 H42 Cl Gd N4 O13 -","- C29 H42 Cl Gd N4 O13 -","- C232 H336 Cl8 Gd8 N32 O104 -","8","1","","Adrián Roca-Sabio; Marta Mato-Iglesias; David Esteban-Gómez; Éva Tóth; Andrés de Blas; Carlos Platas-Iglesias; Teresa Rodríguez-Blas","Macrocyclic Receptor Exhibiting Unprecedented Selectivity for Light Lanthanides","Journal of the American Chemical Society","2009","131","","3331","3341","10.1021/ja808534w","","x-ray","0.71073","MoKα","","0.067","0.0293","","","0.0525","0.0637","","","","","","1.018","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104267","14.8493","0.0008","22.4655","0.0009","14.9641","0.0008","90","","93.825","0.002","90","","4980.9","0.4","100","0.2","100","0.2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H68 Cl3 N6 O21 Yb -","- C38 H68 Cl3 N6 O21 Yb -","- C152 H272 Cl12 N24 O84 Yb4 -","4","1","","Adrián Roca-Sabio; Marta Mato-Iglesias; David Esteban-Gómez; Éva Tóth; Andrés de Blas; Carlos Platas-Iglesias; Teresa Rodríguez-Blas","Macrocyclic Receptor Exhibiting Unprecedented Selectivity for Light Lanthanides","Journal of the American Chemical Society","2009","131","","3331","3341","10.1021/ja808534w","","x-ray","0.71073","MoKα","","0.0481","0.0325","","","0.0659","0.0713","","","","","","1.026","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104268","15.8698","0.0014","15.8698","0.0014","16.868","0.0014","90","","90","","90","","4248.2","0.6","103","2","103","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C20 H26 Cl2 N3 O2 Ta -","- C20 H26 Cl2 N3 O2 Ta -","- C160 H208 Cl16 N24 O16 Ta8 -","8","0.5","","Andy I. Nguyen; Karen J. Blackmore; Shawn M. Carter; Ryan A. Zarkesh; Alan F. Heyduk","One- and Two-Electron Reactivity of a Tantalum(V) Complex with a Redox-Active Tris(amido) Ligand","Journal of the American Chemical Society","2009","131","","3307","3316","10.1021/ja808542j","","","0.71073","MoKα","","0.0247","0.0187","","","0.0473","0.0513","","","","","","1.063","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4104269","9.3551","0.0006","9.843","0.0007","14.4426","0.001","94.5768","0.0008","97.6611","0.0008","92.9604","0.0009","1311.22","0.15","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H31 Cl2 N4 O2 Ta -","- C26 H31 Cl2 N4 O2 Ta -","- C52 H62 Cl4 N8 O4 Ta2 -","2","1","","Andy I. Nguyen; Karen J. Blackmore; Shawn M. Carter; Ryan A. Zarkesh; Alan F. Heyduk","One- and Two-Electron Reactivity of a Tantalum(V) Complex with a Redox-Active Tris(amido) Ligand","Journal of the American Chemical Society","2009","131","","3307","3316","10.1021/ja808542j","","","0.71073","MoKα","","0.0285","0.0249","","","0.0611","0.0631","","","","","","1.056","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104270","14.5899","0.0006","15.5065","0.0006","16.2442","0.0007","80.14","0.0005","73.7726","0.0005","87.8341","0.0005","3476.3","0.2","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H40 Cl2 N5 O2 Ta -","- C36.5 H40 Cl2 N5 O2 Ta -","- C146 H160 Cl8 N20 O8 Ta4 -","4","2","","Andy I. Nguyen; Karen J. Blackmore; Shawn M. Carter; Ryan A. Zarkesh; Alan F. Heyduk","One- and Two-Electron Reactivity of a Tantalum(V) Complex with a Redox-Active Tris(amido) Ligand","Journal of the American Chemical Society","2009","131","","3307","3316","10.1021/ja808542j","","","0.71073","MoKα","","0.0234","0.0189","","","0.0453","0.047","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104271","15.2986","0.0002","17.1817","0.0003","21.8206","0.0004","90","","90","","90","","5735.67","0.16","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H40 Cl N O P2 Ru -","- C28 H40 Cl N O P2 Ru -","- C224 H320 Cl8 N8 O8 P16 Ru8 -","8","1","","Chidambaram Gunanathan; Linda J. W. Shimon; David Milstein","Direct Conversion of Alcohols to Acetals and H2 Catalyzed by an Acridine-Based Ruthenium Pincer Complex","Journal of the American Chemical Society","2009","131","","3146","3147","10.1021/ja808893g","","","0.71073","MoKα","","0.054","0.0356","","","0.0863","0.0928","","","","","","1.074","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104272","10.1087","0.001","10.7832","0.0011","14.9277","0.0015","84.414","0.002","78.963","0.002","81.217","0.002","1574.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H35 Br5 P2 Pt -","- C26 H35 Br5 P2 Pt -","- C52 H70 Br10 P4 Pt2 -","2","1","","Bao-Yu Wang; Alice Raphael Karikachery; Yunjing Li; Anupam Singh; Han Baek Lee; Wenfang Sun; Paul R. Sharp","Remarkable Bromination and Blue Emission of 9-Anthracenyl Pt(II) Complexes","Journal of the American Chemical Society","2009","131","","3150","3151","10.1021/ja809046p","","","0.71073","MoKα","","0.0639","0.0431","","","0.1001","0.1091","","","","","","1.036","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104273","19.3975","0.0016","12.6089","0.001","14.2731","0.0012","90","","129.005","0.001","90","","2712.8","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 Br2 P2 Pt -","- C26 H38 Br2 P2 Pt -","- C104 H152 Br8 P8 Pt4 -","4","0.5","","Bao-Yu Wang; Alice Raphael Karikachery; Yunjing Li; Anupam Singh; Han Baek Lee; Wenfang Sun; Paul R. Sharp","Remarkable Bromination and Blue Emission of 9-Anthracenyl Pt(II) Complexes","Journal of the American Chemical Society","2009","131","","3150","3151","10.1021/ja809046p","","","0.71073","MoKα","","0.0212","0.0185","","","0.0473","0.0485","","","","","","1.032","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104274","9.3779","0.0007","17.2149","0.0014","19.5432","0.0015","70.243","0.001","85.144","0.001","82.561","0.001","2941.5","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H37 Br3 P2 Pt -","- C26 H32.5 Br3 P2 Pt -","- C104 H130 Br12 P8 Pt4 -","4","2","","Bao-Yu Wang; Alice Raphael Karikachery; Yunjing Li; Anupam Singh; Han Baek Lee; Wenfang Sun; Paul R. Sharp","Remarkable Bromination and Blue Emission of 9-Anthracenyl Pt(II) Complexes","Journal of the American Chemical Society","2009","131","","3150","3151","10.1021/ja809046p","","","0.71073","MoKα","","0.0846","0.0524","","","0.128","0.148","","","","","","1.021","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104275","9.568","0.0005","17.4909","0.0009","37.2389","0.0019","90","","90","","90","","6232","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 Br4 P2 Pt -","- C26 H36 Br4 P2 Pt -","- C208 H288 Br32 P16 Pt8 -","8","2","","Bao-Yu Wang; Alice Raphael Karikachery; Yunjing Li; Anupam Singh; Han Baek Lee; Wenfang Sun; Paul R. Sharp","Remarkable Bromination and Blue Emission of 9-Anthracenyl Pt(II) Complexes","Journal of the American Chemical Society","2009","131","","3150","3151","10.1021/ja809046p","","","0.71073","MoKα","","0.0728","0.047","","","0.0982","0.1095","","","","","","1.025","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104276","16.6032","0.0004","16.6032","0.0004","16.6032","0.0004","90","","90","","90","","4576.94","0.19","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C12 Fe8 La21 Sn7 -","- C12 Fe8 La21 Sn7 -","- C48 Fe32 La84 Sn28 -","4","0.0208333","","Evan M. Benbow; Naresh S. Dalal; Susan E. Latturner","Spin Glass Behavior of Isolated, Geometrically Frustrated Tetrahedra of Iron Atoms in the Intermetallic La21Fe8Sn7C12","Journal of the American Chemical Society","2009","131","","3349","3354","10.1021/ja809084n","","","0.71073","MoKα","","0.0233","0.0233","","","0.0533","0.0533","","","","","","1.517","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104277","16.4101","0.0002","16.4101","0.0002","16.4101","0.0002","90","","90","","90","","4419.1","0.09","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C12 Fe8 La21 Sb7 -","- C12 Fe8 La21 Sb7 -","- C48 Fe32 La84 Sb28 -","4","0.0208333","","Evan M. Benbow; Naresh S. Dalal; Susan E. Latturner","Spin Glass Behavior of Isolated, Geometrically Frustrated Tetrahedra of Iron Atoms in the Intermetallic La21Fe8Sn7C12","Journal of the American Chemical Society","2009","131","","3349","3354","10.1021/ja809084n","","","0.71073","MoKα","","0.0281","0.0281","","","0.0668","0.0668","","","","","","1.343","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104278","16.2911","0.0007","16.2911","0.0007","16.2911","0.0007","90","","90","","90","","4323.7","0.3","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C12 Al2.78 Fe8 La21 Te4.22 -","- C12 Al2.76 Fe8 La21 Te4.24 -","- C48 Al11.04 Fe32 La84 Te16.96 -","4","0.0208333","","Evan M. Benbow; Naresh S. Dalal; Susan E. Latturner","Spin Glass Behavior of Isolated, Geometrically Frustrated Tetrahedra of Iron Atoms in the Intermetallic La21Fe8Sn7C12","Journal of the American Chemical Society","2009","131","","3349","3354","10.1021/ja809084n","","","0.71073","MoKα","","0.0422","0.0422","","","0.0947","0.0947","","","","","","1.365","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104279","16.1589","0.0004","16.1589","0.0004","16.1589","0.0004","90","","90","","90","","4219.25","0.18","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C12 Al2.06 Fe8 Ge4.94 La21 -","- C12 Al2.058 Fe8 Ge4.942 La21 -","- C48 Al8.232 Fe32 Ge19.768 La84 -","4","0.0208333","","Evan M. Benbow; Naresh S. Dalal; Susan E. Latturner","Spin Glass Behavior of Isolated, Geometrically Frustrated Tetrahedra of Iron Atoms in the Intermetallic La21Fe8Sn7C12","Journal of the American Chemical Society","2009","131","","3349","3354","10.1021/ja809084n","","","0.71073","MoKα","","0.0208","0.0208","","","0.0483","0.0483","","","","","","1.58","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104280","16.4863","0.0005","16.4863","0.0005","16.4863","0.0005","90","","90","","90","","4480.9","0.2","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C12 Bi7 Fe8 La21 -","- C12 Bi7 Fe8 La21 -","- C48 Bi28 Fe32 La84 -","4","0.0208333","","Evan M. Benbow; Naresh S. Dalal; Susan E. Latturner","Spin Glass Behavior of Isolated, Geometrically Frustrated Tetrahedra of Iron Atoms in the Intermetallic La21Fe8Sn7C12","Journal of the American Chemical Society","2009","131","","3349","3354","10.1021/ja809084n","","","0.71073","MoKα","","0.0331","0.0326","","","0.0692","0.0694","","","","","","1.224","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104281","16.2992","0.0003","16.2992","0.0003","16.2992","0.0003","90","","90","","90","","4330.11","0.14","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C12 Bi7 Ce21 Fe8 -","- C12 Bi7 Ce21 Fe8 -","- C48 Bi28 Ce84 Fe32 -","4","0.0208333","","Evan M. Benbow; Naresh S. Dalal; Susan E. Latturner","Spin Glass Behavior of Isolated, Geometrically Frustrated Tetrahedra of Iron Atoms in the Intermetallic La21Fe8Sn7C12","Journal of the American Chemical Society","2009","131","","3349","3354","10.1021/ja809084n","","","0.71073","MoKα","","0.0244","0.0243","","","0.0483","0.0483","","","","","","1.5","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104282","16.2124","0.0005","16.2124","0.0005","16.2124","0.0005","90","","90","","90","","4261.3","0.2","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C12 Bi7 Fe8 Pr21 -","- C12 Bi7 Fe8 Pr21 -","- C48 Bi28 Fe32 Pr84 -","4","0.0208333","","Evan M. Benbow; Naresh S. Dalal; Susan E. Latturner","Spin Glass Behavior of Isolated, Geometrically Frustrated Tetrahedra of Iron Atoms in the Intermetallic La21Fe8Sn7C12","Journal of the American Chemical Society","2009","131","","3349","3354","10.1021/ja809084n","","","0.71073","MoKα","","0.026","0.0259","","","0.0584","0.0584","","","","","","1.546","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104283","8.192","0.0016","10.305","0.002","24.315","0.005","78.84","0.03","85.45","0.03","86.33","0.03","2005","0.7","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H51 B Br O P -","- C46 H51 B Br O P -","- C92 H102 B2 Br2 O2 P2 -","2","1","","Youngmin Kim; François P. Gabbaï","Cationic Boranes for the Complexation of Fluoride Ions in Water below the 4 ppm Maximum Contaminant Level","Journal of the American Chemical Society","2009","131","","3363","3369","10.1021/ja8091467","","","0.71073","MoKα","","0.083","0.0578","","","0.1233","0.1354","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104284","22.702","0.004","14.908","0.004","22.802","0.005","90","","112.368","0.004","90","","7136","3","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H44 B Cl O1.5 P -","- C42.5 H44 B Cl O1.5 P -","- C340 H352 B8 Cl8 O12 P8 -","8","1","","Youngmin Kim; François P. Gabbaï","Cationic Boranes for the Complexation of Fluoride Ions in Water below the 4 ppm Maximum Contaminant Level","Journal of the American Chemical Society","2009","131","","3363","3369","10.1021/ja8091467","","","0.71073","MoKα","","0.0686","0.0478","","","0.1386","0.1608","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104285","12.262","0.003","12.756","0.003","12.976","0.003","73.4","0.03","77.77","0.03","62.25","0.03","1713.9","0.9","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H41 B Cl3 O P -","- C38 H41 B Cl3 O P -","- C76 H82 B2 Cl6 O2 P2 -","2","1","","Youngmin Kim; François P. Gabbaï","Cationic Boranes for the Complexation of Fluoride Ions in Water below the 4 ppm Maximum Contaminant Level","Journal of the American Chemical Society","2009","131","","3363","3369","10.1021/ja8091467","","","0.71073","MoKα","","0.1303","0.084","","","0.1596","0.1739","","","","","","1.008","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4104286","18.988","0.004","19.806","0.004","19.918","0.004","99.42","0.03","104.07","0.03","99.53","0.03","7001","3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H84 B2 Cl2 F2 P2 -","- C85 H84 B2 Cl2 F2 P2 -","- C340 H336 B8 Cl8 F8 P8 -","4","2","","Youngmin Kim; François P. Gabbaï","Cationic Boranes for the Complexation of Fluoride Ions in Water below the 4 ppm Maximum Contaminant Level","Journal of the American Chemical Society","2009","131","","3363","3369","10.1021/ja8091467","","","0.71073","MoKα","","0.1001","0.0717","","","0.1476","0.1669","","","","","","1.003","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4104287","15.021","0.003","15.613","0.002","49.722","0.009","90","","90","","90","","11661","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C103 H128 B6 Cl16 N6 O12 -","- C103 H128 B6 Cl16 N6 O12 -","- C412 H512 B24 Cl64 N24 O48 -","4","1","","Burçak Içli; Nicolas Christinat; Justus Tönnemann; Christian Schüttler; Rosario Scopelliti; Kay Severin","Synthesis of Molecular Nanostructures by Multicomponent Condensation Reactions in a Ball Mill","Journal of the American Chemical Society","2009","131","","3154","3155","10.1021/ja809279s","","","0.71073","MoKα","","0.0968","0.0739","","","0.1833","0.201","","","","","","1.102","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104288","17.665","0.008","18.127","0.01","30.45","0.03","82.86","0.07","74.86","0.06","63.57","0.04","8428","11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C123 H120 B6 N6 O12 -","- C123 H120 B6 N6 O12 -","- C246 H240 B12 N12 O24 -","2","1","","Burçak Içli; Nicolas Christinat; Justus Tönnemann; Christian Schüttler; Rosario Scopelliti; Kay Severin","Synthesis of Molecular Nanostructures by Multicomponent Condensation Reactions in a Ball Mill","Journal of the American Chemical Society","2009","131","","3154","3155","10.1021/ja809279s","","","0.71073","MoKα","","0.2687","0.1541","","","0.3645","0.4199","","","","","","0.967","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104289","9.543","0.003","11.132","0.004","17.869","0.006","94.962","0.004","92.843","0.004","111.105","0.004","1757.6","1","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H56 Si6 -","- C30 H56 Si6 -","- C60 H112 Si12 -","2","1","","Takeaki Iwamoto; Maiko Kobayashi; Kei Uchiyama; Shin Sasaki; Selvarajan Nagendran; Hiroyuki Isobe; Mitsuo Kira","Anthryl-Substituted Trialkyldisilene Showing Distinct Intramolecular Charge-Transfer Transition","Journal of the American Chemical Society","2009","131","","3156","3157","10.1021/ja8093313","","","0.71073","MoKα","","0.1139","0.0624","","","0.1331","0.1508","","","","","","1.056","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104290","9.09","0.003","11.235","0.004","19.544","0.007","105.125","0.004","90.687","0.004","103.759","0.004","1865.7","1.1","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C34 H58 Si6 -","- C34 H58 Si6 -","- C68 H116 Si12 -","2","1","","Takeaki Iwamoto; Maiko Kobayashi; Kei Uchiyama; Shin Sasaki; Selvarajan Nagendran; Hiroyuki Isobe; Mitsuo Kira","Anthryl-Substituted Trialkyldisilene Showing Distinct Intramolecular Charge-Transfer Transition","Journal of the American Chemical Society","2009","131","","3156","3157","10.1021/ja8093313","","","0.71073","MoKα","","0.1836","0.082","","","0.1767","0.2264","","","","","","1.039","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104291","22.011","0.006","11.173","0.003","15.114","0.004","90","","90","","90","","3717","1.7","173","","173","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C34 H58 Si6 -","- C34 H58 Si6 -","- C136 H232 Si24 -","4","1","","Takeaki Iwamoto; Maiko Kobayashi; Kei Uchiyama; Shin Sasaki; Selvarajan Nagendran; Hiroyuki Isobe; Mitsuo Kira","Anthryl-Substituted Trialkyldisilene Showing Distinct Intramolecular Charge-Transfer Transition","Journal of the American Chemical Society","2009","131","","3156","3157","10.1021/ja8093313","","","0.71073","MoKα","","0.0555","0.0461","","","0.1122","0.1182","","","","","","1.036","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104292","14.307","0.003","14.724","0.003","19.63","0.003","101.863","0.003","96.16","0.003","99.59","0.003","3947.1","1.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H130 K2 O4 Si12 -","- C56 H130 K2 O4 Si12 -","- C112 H260 K4 O8 Si24 -","2","1","","Takeaki Iwamoto; Maiko Kobayashi; Kei Uchiyama; Shin Sasaki; Selvarajan Nagendran; Hiroyuki Isobe; Mitsuo Kira","Anthryl-Substituted Trialkyldisilene Showing Distinct Intramolecular Charge-Transfer Transition","Journal of the American Chemical Society","2009","131","","3156","3157","10.1021/ja8093313","","","0.7107","MoKα","","0.1374","0.0855","","","0.1781","0.2044","","","","","","1.246","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104293","9.701","0.002","11.374","0.002","14.341","0.002","78.216","0.01","87.051","0.011","83.926","0.012","1539.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H32 N P -","- C45 H32 N P -","- C90 H64 N2 P2 -","2","1","","Sébastien Graule; Mark Rudolph; Nicolas Vanthuyne; Jochen Autschbach; Christian Roussel; Jeanne Crassous; Régis Réau","Metal-Bis(helicene) Assemblies Incorporating π-Conjugated Phosphole-Azahelicene Ligands: Impacting Chiroptical Properties by Metal Variation","Journal of the American Chemical Society","2009","131","","3183","3185","10.1021/ja809396f","","","0.71069","MoKα","","0.1713","0.0791","","","0.1615","0.1921","","","","","","1.022","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104294","7.6139","0.0004","12.7418","0.0007","24.1476","0.0014","90","","90","","90","","2342.7","0.2","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O5 S -","- C24 H31 N O5 S -","- C96 H124 N4 O20 S4 -","4","1","","Tim A. Cernak; Tristan H. Lambert","Multicatalytic Synthesis of α-Pyrrolidinyl Ketones via a Tandem Palladium(II)/Indium(III)-Catalyzed Aminochlorocarbonylation/Friedel-Crafts Acylation Reaction","Journal of the American Chemical Society","2009","131","","3124","3125","10.1021/ja809897f","","","0.71073","MoKα","","0.0329","0.0312","","","0.0863","0.0878","","","","","","1.046","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104295","8.0637","0.0007","12.3948","0.0011","31.67","0.003","90","","90","","90","","3165.4","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C152 H168 N8 O16 -","8","1","","Thomas Tricotet; Patricia Fleming; Juliet Cotter; Anne-Marie L. Hogan; Carsten Strohmann; Viktoria H. Gessner; Donal F. O'Shea","Selective Vinyl C-H Lithiation of cis-Stilbenes","Journal of the American Chemical Society","2009","131","","3142","3143","10.1021/ja809941n","","","0.71073","MoKα","","0.0437","0.0356","","","0.0831","0.0871","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104296","16.132","0.004","20.076","0.005","8.573","0.002","90","","99.491","0.005","90","","2738.5","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 B O3 -","- C15 H15 B O3 -","- C120 H120 B8 O24 -","8","2","","Thomas Tricotet; Patricia Fleming; Juliet Cotter; Anne-Marie L. Hogan; Carsten Strohmann; Viktoria H. Gessner; Donal F. O'Shea","Selective Vinyl C-H Lithiation of cis-Stilbenes","Journal of the American Chemical Society","2009","131","","3142","3143","10.1021/ja809941n","","","0.71073","MoKα","","0.0675","0.0421","","","0.0968","0.1081","","","","","","1.029","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104297","8.5986","0.0015","9.1115","0.0017","9.5605","0.0017","101.637","0.004","100.532","0.003","91.312","0.004","719.9","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C34 H32 O8 -","2","1","","Thomas Tricotet; Patricia Fleming; Juliet Cotter; Anne-Marie L. Hogan; Carsten Strohmann; Viktoria H. Gessner; Donal F. O'Shea","Selective Vinyl C-H Lithiation of cis-Stilbenes","Journal of the American Chemical Society","2009","131","","3142","3143","10.1021/ja809941n","","","0.71073","MoKα","","0.0584","0.0487","","","0.1286","0.1354","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104298","11.0571","0.0009","9.5058","0.0008","16.076","0.0013","90","","107.335","0.002","90","","1612.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 O2 -","- C22 H16 O2 -","- C88 H64 O8 -","4","1","","Thomas Tricotet; Patricia Fleming; Juliet Cotter; Anne-Marie L. Hogan; Carsten Strohmann; Viktoria H. Gessner; Donal F. O'Shea","Selective Vinyl C-H Lithiation of cis-Stilbenes","Journal of the American Chemical Society","2009","131","","3142","3143","10.1021/ja809941n","","","0.71073","MoKα","","0.0521","0.0457","","","0.1208","0.1256","","","","","","1.035","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104299","8.9728","0.0006","9.1409","0.0007","31.088","0.002","87.023","0.001","85.209","0.001","61.503","0.001","2232.8","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H31 Cl2 Ga N2 -","- C20 H31 Cl2 Ga N2 -","- C80 H124 Cl8 Ga4 N8 -","4","2","","Brandon Quillian; Pingrong Wei; Chaitanya S. Wannere; Paul v. R. Schleyer; Gregory H. Robinson","A Neutral Ga6 Octahedron: Synthesis, Structure, and Aromaticity","Journal of the American Chemical Society","2009","131","","3168","3169","10.1021/ja809945v","","","0.71073","MoKα","","0.0449","0.0373","","","0.0992","0.1031","","","","","","1.064","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104300","15.0926","0.0019","14.3561","0.0019","20.16","0.003","90","","103.844","0.002","90","","4241.2","1","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 Cl2 Ga2 N4 -","- C40 H62 Cl2 Ga2 N4 -","- C160 H248 Cl8 Ga8 N16 -","4","1","","Brandon Quillian; Pingrong Wei; Chaitanya S. Wannere; Paul v. R. Schleyer; Gregory H. Robinson","A Neutral Ga6 Octahedron: Synthesis, Structure, and Aromaticity","Journal of the American Chemical Society","2009","131","","3168","3169","10.1021/ja809945v","","","0.71073","MoKα","","0.1683","0.057","","","0.1235","0.1766","","","","","","1.025","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104301","19.6044","0.0013","22.9053","0.0015","32.804","0.002","90","","90","","90","","14730.5","1.6","273","2","273","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C72 H100 Ga6 N4 -","- C72 H100 Ga6 N4 -","- C576 H800 Ga48 N32 -","8","0.25","","Brandon Quillian; Pingrong Wei; Chaitanya S. Wannere; Paul v. R. Schleyer; Gregory H. Robinson","A Neutral Ga6 Octahedron: Synthesis, Structure, and Aromaticity","Journal of the American Chemical Society","2009","131","","3168","3169","10.1021/ja809945v","","","0.71073","MoKα","","0.1176","0.057","","","0.1483","0.1814","","","","","","1.049","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104302","16.823","0.0004","15.869","0.0007","17.917","0.0008","90","","90","","90","","4783.2","0.3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","pentafluorophenyltetrahedrane","","- C19 H27 F5 Si3 -","- C19 H27 F5 Si3 -","- C152 H216 F40 Si24 -","8","1","","Masaaki Nakamoto; Yusuke Inagaki; Motoaki Nishina; Akira Sekiguchi","Perfluoroaryltetrahedranes: Tetrahedranes with Extended σ-π Conjugation","Journal of the American Chemical Society","2009","131","","3172","3173","10.1021/ja810055w","","","0.7107","MoKα","","0.0684","0.0496","","","0.1311","0.1455","","","","","","1.046","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104303","10.057","0.0003","22.355","0.0009","16.017","0.0006","90","","122.588","0.003","90","","3034.1","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-phenylethynyl(2,3,5,6-tetrafluorophenylene)-4-tetrahedrane","","- C27 H32 F4 Si3 -","- C27 H32 F4 Si3 -","- C108 H128 F16 Si12 -","4","1","","Masaaki Nakamoto; Yusuke Inagaki; Motoaki Nishina; Akira Sekiguchi","Perfluoroaryltetrahedranes: Tetrahedranes with Extended σ-π Conjugation","Journal of the American Chemical Society","2009","131","","3172","3173","10.1021/ja810055w","","","0.7107","MoKα","","0.0579","0.0483","","","0.138","0.1461","","","","","","1.038","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104304","8.5896","0.0003","10.1995","0.0003","37.4208","0.0012","90","","90","","90","","3278.42","0.18","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","C18H28O3","","","- C18 H28 O3 -","- C18 H28 O3 -","- C144 H224 O24 -","8","2","","Hyoungsu Kim; Joseph B. Baker; Su-Ui Lee; Yongho Park; Kyle L. Bolduc; Hyung-Bae Park; Marina G. Dickens; Dong-Sup Lee; Yongchul Kim; Seong Hwan Kim; Jiyong Hong","Stereoselective Synthesis and Osteogenic Activity of Subglutinols A and B","Journal of the American Chemical Society","2009","131","","3192","3194","10.1021/ja8101192","","","0.71073","MoKα","","0.0524","0.0406","","","0.1066","0.1167","","","","","","1.026","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104305","8.1782","0.0003","11.0055","0.0004","17.9809","0.0007","90","","90","","90","","1618.37","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 O3 -","- C18 H26 O3 -","- C72 H104 O12 -","4","1","","Hyoungsu Kim; Joseph B. Baker; Su-Ui Lee; Yongho Park; Kyle L. Bolduc; Hyung-Bae Park; Marina G. Dickens; Dong-Sup Lee; Yongchul Kim; Seong Hwan Kim; Jiyong Hong","Stereoselective Synthesis and Osteogenic Activity of Subglutinols A and B","Journal of the American Chemical Society","2009","131","","3192","3194","10.1021/ja8101192","","","0.71073","MoKα","","0.0582","0.047","","","0.1355","0.1465","","","","","","1.282","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4104306","10.8584","0.0007","13.805","0.0008","21.2206","0.0012","89.015","0.003","88.661","0.003","72.957","0.003","3040.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H68 N6 O13 -","- C64 H68 N6 O13 -","- C128 H136 N12 O26 -","2","1","","Begoña Verdejo; Guzmán Gil-Ramírez; Pablo Ballester","Molecular Recognition of Pyridine N-Oxides in Water Using Calix[4]pyrrole Receptors","Journal of the American Chemical Society","2009","131","","3178","3179","10.1021/ja900151u","","","0.71073","MoKα","","0.1229","0.0927","","","0.2648","0.2923","","","","","","1.052","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4104307","11.164","0.004","15.33","0.005","21.339","0.007","76.829","0.007","77.781","0.009","80.682","0.008","3451","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H80 N8 O14 -","- C77 H80 N8 O14 -","- C154 H160 N16 O28 -","2","1","","Begoña Verdejo; Guzmán Gil-Ramírez; Pablo Ballester","Molecular Recognition of Pyridine N-Oxides in Water Using Calix[4]pyrrole Receptors","Journal of the American Chemical Society","2009","131","","3178","3179","10.1021/ja900151u","","","0.71073","MoKα","","0.1695","0.0898","","","0.234","0.2744","","","","","","1.043","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4104308","11.0003","0.0005","13.8639","0.0006","21.2479","0.0009","87.207","0.002","85.586","0.002","73.617","0.002","3098.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H74 N7 O14.5 -","- C69 H74 N7 O14.5 -","- C138 H148 N14 O29 -","2","1","","Begoña Verdejo; Guzmán Gil-Ramírez; Pablo Ballester","Molecular Recognition of Pyridine N-Oxides in Water Using Calix[4]pyrrole Receptors","Journal of the American Chemical Society","2009","131","","3178","3179","10.1021/ja900151u","","","0.71073","MoKα","","0.0861","0.0635","","","0.1721","0.1897","","","","","","1.035","","","","has coordinates,has disorder","288243","2023-12-12","09:57:13",""
"4104309","23.2455","0.0004","8.1765","0.0001","15.5145","0.0003","90","","99.6491","0.0003","90","","2907.07","0.08","90","1","90","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 Ti -","- C17 H24 Ti -","- C136 H192 Ti8 -","8","1","","Stephan Scheins; Marc Messerschmidt; Milan Gembicky; Mateusz Pitak; Anatoliy Volkov; Philip Coppens; Benjamin G. Harvey; Gregory C. Turpin; Atta M. Arif; Richard D. Ernst","Charge Density Analysis of the (C-C)\ρightarrowTi Agostic Interactions in a Titanacyclobutane Complex","Journal of the American Chemical Society","2009","131","","6154","6160","10.1021/ja807649k","","","0.71073","MoKα","","0.0253","0.0113","","","","0.01","","","","","","1.8177","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104310","15.3079","0.0012","17.8336","0.0014","20.3259","0.0016","90","","108.407","0.001","90","","5265","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H58 B2 Co2 F8 N8 O5 -","- C51 H58 B2 Co2 F8 N8 O5 -","- C204 H232 B8 Co8 F32 N32 O20 -","4","1","","Kil Sik Min; Antonio G. DiPasquale; Arnold L. Rheingold; Henry S. White; Joel S. Miller","Observation of Redox-Induced Electron Transfer and Spin Crossover for Dinuclear Cobalt and Iron Complexes with the 2,5-Di-tert-butyl-3,6-dihydroxy-1,4-benzoquinonate Bridging Ligand","Journal of the American Chemical Society","2009","131","","6229","6236","10.1021/ja900909u","","","0.71073","MoKα","","0.0567","0.048","","","0.1274","0.132","","","","","","1.099","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104311","24.12","0.002","15.4044","0.0013","17.0578","0.0014","90","","116.964","0.001","90","","5648.9","0.8","208","2","208","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H60 B3 Co2 F12 N10 O4 -","- C54 H60 B2 Co2 F8 N10 O4 -","- C216 H240 B8 Co8 F32 N40 O16 -","4","0.5","","Kil Sik Min; Antonio G. DiPasquale; Arnold L. Rheingold; Henry S. White; Joel S. Miller","Observation of Redox-Induced Electron Transfer and Spin Crossover for Dinuclear Cobalt and Iron Complexes with the 2,5-Di-tert-butyl-3,6-dihydroxy-1,4-benzoquinonate Bridging Ligand","Journal of the American Chemical Society","2009","131","","6229","6236","10.1021/ja900909u","","","0.71073","MoKα","","0.0642","0.055","","","0.1375","0.1428","","","","","","1.074","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104312","17.953","0.003","19.739","0.003","19.19","0.003","90","","109.888","0.002","90","","6394.9","1.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","KS-127-03A","","","- C56 H63 B4 Co2 F16 N14 O4 -","- C50 H54 Co2 N8 O4 -","- C200 H216 Co8 N32 O16 -","4","1","","Kil Sik Min; Antonio G. DiPasquale; Arnold L. Rheingold; Henry S. White; Joel S. Miller","Observation of Redox-Induced Electron Transfer and Spin Crossover for Dinuclear Cobalt and Iron Complexes with the 2,5-Di-tert-butyl-3,6-dihydroxy-1,4-benzoquinonate Bridging Ligand","Journal of the American Chemical Society","2009","131","","6229","6236","10.1021/ja900909u","","","0.71073","MoKα","","0.1047","0.0778","","","0.1916","0.2041","","","","","","1.037","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4104313","15.245","0.002","18.481","0.003","19.241","0.003","90","","107.588","0.002","90","","5167.6","1.3","208","2","208","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","KS-129-03","","","- C50 H54 B2 F8 Fe2 N8 O4 -","- C50 H54 B2 F8 Fe2 N8 O4 -","- C200 H216 B8 F32 Fe8 N32 O16 -","4","1","","Kil Sik Min; Antonio G. DiPasquale; Arnold L. Rheingold; Henry S. White; Joel S. Miller","Observation of Redox-Induced Electron Transfer and Spin Crossover for Dinuclear Cobalt and Iron Complexes with the 2,5-Di-tert-butyl-3,6-dihydroxy-1,4-benzoquinonate Bridging Ligand","Journal of the American Chemical Society","2009","131","","6229","6236","10.1021/ja900909u","","","0.71073","MoKα","","0.1183","0.0864","","","0.2438","0.2738","","","","","","1.033","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104314","15.3981","0.0016","18.5528","0.0019","19.548","0.002","90","","107.824","0.002","90","","5316.4","0.9","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","KS-129-03","","","- C50 H54 B2 F8 Fe2 N8 O4 -","- C50 H54 Fe2 N8 O4 -","- C200 H216 Fe8 N32 O16 -","4","1","","Kil Sik Min; Antonio G. DiPasquale; Arnold L. Rheingold; Henry S. White; Joel S. Miller","Observation of Redox-Induced Electron Transfer and Spin Crossover for Dinuclear Cobalt and Iron Complexes with the 2,5-Di-tert-butyl-3,6-dihydroxy-1,4-benzoquinonate Bridging Ligand","Journal of the American Chemical Society","2009","131","","6229","6236","10.1021/ja900909u","","","0.71073","MoKα","","0.073","0.0598","","","0.1782","0.1883","","","","","","1.097","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4104315","27.857","0.004","7.1869","0.001","13.0085","0.0018","90","","115.185","0.002","90","","2356.8","0.6","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C50 H26 Br4 F14 N2 O4 -","- C50 H26 Br4 F14 N2 O4 -","- C100 H52 Br8 F28 N4 O8 -","2","0.5","","Rüdiger Schmidt; Joon Hak Oh; Ya-Sen Sun; Manuela Deppisch; Ana-Maria Krause; Krzysztof Radacki; Holger Braunschweig; Martin Könemann; Peter Erk; Zhenan Bao; Frank Würthner","High-Performance Air-Stable n-Channel Organic Thin Film Transistors Based on Halogenated Perylene Bisimide Semiconductors","Journal of the American Chemical Society","2009","131","","6215","6228","10.1021/ja901077a","","","0.71073","MoKα","","0.0316","0.0291","","","0.0726","0.0739","","","","","","1.056","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104316","31.88","0.002","8.5607","0.0006","10.1357","0.0007","90","","90","","90","","2766.2","0.3","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","perylen","","","- C36 H6 F12 N2 O4 -","- C36 H6 F12 N2 O4 -","- C144 H24 F48 N8 O16 -","4","0.5","","Rüdiger Schmidt; Joon Hak Oh; Ya-Sen Sun; Manuela Deppisch; Ana-Maria Krause; Krzysztof Radacki; Holger Braunschweig; Martin Könemann; Peter Erk; Zhenan Bao; Frank Würthner","High-Performance Air-Stable n-Channel Organic Thin Film Transistors Based on Halogenated Perylene Bisimide Semiconductors","Journal of the American Chemical Society","2009","131","","6215","6228","10.1021/ja901077a","","","0.71073","MoKα","","0.0487","0.0406","","","0.1072","0.1127","","","","","","1.101","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4104317","4.9104","0.0004","8.4835","0.0007","16.2891","0.0013","97.489","0.004","94.373","0.004","98.033","0.004","663.08","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H12 F14 N2 O4 -","- C32 H12 F14 N2 O4 -","- C32 H12 F14 N2 O4 -","1","0.5","","Rüdiger Schmidt; Joon Hak Oh; Ya-Sen Sun; Manuela Deppisch; Ana-Maria Krause; Krzysztof Radacki; Holger Braunschweig; Martin Könemann; Peter Erk; Zhenan Bao; Frank Würthner","High-Performance Air-Stable n-Channel Organic Thin Film Transistors Based on Halogenated Perylene Bisimide Semiconductors","Journal of the American Chemical Society","2009","131","","6215","6228","10.1021/ja901077a","","","0.71073","MoKα","","0.0463","0.0352","","","0.0935","0.0995","","","","","","1.057","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104318","27.0649","0.0012","7.0704","0.0003","26.3217","0.0013","90","","114.671","0.005","90","","4577.1","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C50 H26 Cl4 F14 N2 O4 -","- C50 H26 Cl4 F14 N2 O4 -","- C200 H104 Cl16 F56 N8 O16 -","4","1","","Rüdiger Schmidt; Joon Hak Oh; Ya-Sen Sun; Manuela Deppisch; Ana-Maria Krause; Krzysztof Radacki; Holger Braunschweig; Martin Könemann; Peter Erk; Zhenan Bao; Frank Würthner","High-Performance Air-Stable n-Channel Organic Thin Film Transistors Based on Halogenated Perylene Bisimide Semiconductors","Journal of the American Chemical Society","2009","131","","6215","6228","10.1021/ja901077a","","","0.71073","MoKα","","0.1156","0.0507","","","0.0903","0.1129","","","","","","1.042","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104319","11.7846","0.0011","12.0337","0.0013","13.2301","0.0011","103.663","0.003","100.758","0.003","117.633","0.003","1516.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H4 Cl4 F10 N2 O4 -","- C36 H4 Cl4 F10 N2 O4 -","- C72 H8 Cl8 F20 N4 O8 -","2","1","","Rüdiger Schmidt; Joon Hak Oh; Ya-Sen Sun; Manuela Deppisch; Ana-Maria Krause; Krzysztof Radacki; Holger Braunschweig; Martin Könemann; Peter Erk; Zhenan Bao; Frank Würthner","High-Performance Air-Stable n-Channel Organic Thin Film Transistors Based on Halogenated Perylene Bisimide Semiconductors","Journal of the American Chemical Society","2009","131","","6215","6228","10.1021/ja901077a","","","0.71073","MoKα","","0.0298","0.0257","","","0.0662","0.069","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104320","11.928","0.003","13.092","0.003","15.633","0.004","90","","109.959","0.003","90","","2294.6","1","123.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Fe N2 -","- C24 H34 Fe N2 -","- C96 H136 Fe4 N8 -","4","1","","Daisuke Noda; Yusuke Sunada; Takuji Hatakeyama; Masaharu Nakamura; Hideo Nagashima","Effect of TMEDA on Iron-Catalyzed Coupling Reactions of ArMgX with Alkyl Halides","Journal of the American Chemical Society","2009","131","","6078","6079","10.1021/ja901262g","","","0.7107","MoKα","","","0.067","","","","0.2314","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104321","15.405","0.002","8.594","0.0009","13.0859","0.0016","90","","90","","90","","1732.4","0.4","123.1","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H27 Br Fe N2 -","- C15 H27 Br Fe N2 -","- C60 H108 Br4 Fe4 N8 -","4","1","","Daisuke Noda; Yusuke Sunada; Takuji Hatakeyama; Masaharu Nakamura; Hideo Nagashima","Effect of TMEDA on Iron-Catalyzed Coupling Reactions of ArMgX with Alkyl Halides","Journal of the American Chemical Society","2009","131","","6078","6079","10.1021/ja901262g","","","0.7107","MoKα","","","0.0482","","","","0.1197","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104322","15.578","0.003","9.1704","0.0018","19.993","0.004","90","","90","","90","","2856.1","1","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C10 H28 Al2 Ge7 N2 O18 -","- C10 H28 Al1.98 Ge7.02 N2 O18 -","- C40 H112 Al7.92 Ge28.08 N8 O72 -","4","0.5","","Jie Su; Yingxia Wang; Zheming Wang; Jianhua Lin","PKU-9: An Aluminogermanate with a New Three-Dimensional Zeolite Framework Constructed from CGS Layers and Spiro-5 Units","Journal of the American Chemical Society","2009","131","","6080","6081","10.1021/ja901330u","","","0.71073","MoKα","","0.078","0.0428","","","0.1218","0.1301","","","","","","1.025","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104323","26.292","0.003","26.292","0.003","26.292","0.003","90","","90","","90","","18175","4","100","2","100","2","","","","","","","","6","P 4 3 2","P 4 2 3","207","","","","- C11.58 H15.25 B0.67 Li0.67 N5.67 O0.17 -","- C11.5601 H15.2228 B0.666667 Li0.666667 N5.66267 O0.166667 -","- C416.165 H548.021 B24 Li24 N203.856 O6 -","36","1.5","","Tao Wu; Jian Zhang; Cong Zhou; Le Wang; Xianhui Bu; Pingyun Feng","Zeolite RHO-Type Net with the Lightest Elements","Journal of the American Chemical Society","2009","131","","6111","6113","10.1021/ja901725v","","","0.71073","MoKα","","0.1493","0.1161","","","0.2805","0.3297","","","","","","1.469","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104324","26.8152","0.0001","26.8152","0.0001","26.8152","0.0001","90","","90","","90","","19281.6","0.12","150","2","150","2","","","","","","","","5","P 4 3 2","P 4 2 3","207","","","","- C20.5 H23.5 B Cu N8 -","- C20.5 H23.5 B Cu N8 -","- C492 H564 B24 Cu24 N192 -","24","1","","Tao Wu; Jian Zhang; Cong Zhou; Le Wang; Xianhui Bu; Pingyun Feng","Zeolite RHO-Type Net with the Lightest Elements","Journal of the American Chemical Society","2009","131","","6111","6113","10.1021/ja901725v","","","0.71073","MoKα","","0.0726","0.0538","","","0.1706","0.1967","","","","","","1.186","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104325","8.9278","0.0001","9.5465","0.0001","21.1523","0.0003","90","","99.338","0.001","90","","1778.9","0.04","293","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 B N8 -","- C16 H21 B N8 -","- C64 H84 B4 N32 -","4","1","","Tao Wu; Jian Zhang; Cong Zhou; Le Wang; Xianhui Bu; Pingyun Feng","Zeolite RHO-Type Net with the Lightest Elements","Journal of the American Chemical Society","2009","131","","6111","6113","10.1021/ja901725v","","","0.71073","MoKα","","0.0663","0.046","","","0.1319","0.1466","","","","","","1.016","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104326","18.4911","0.0007","18.4911","0.0007","13.9617","0.001","90","","90","","90","","4773.8","0.4","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C20 H34 B N9 O2 -","- C20 H31 B N9 O2 -","- C160 H248 B8 N72 O16 -","8","1","","Tao Wu; Jian Zhang; Cong Zhou; Le Wang; Xianhui Bu; Pingyun Feng","Zeolite RHO-Type Net with the Lightest Elements","Journal of the American Chemical Society","2009","131","","6111","6113","10.1021/ja901725v","","","0.71073","MoKα","","0.0885","0.0702","","","0.1895","0.2067","","","","","","1.032","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104327","10.598","0.0004","10.6009","0.0005","21.6596","0.0009","93.65","0.003","100.36","0.003","90.017","0.003","2388.72","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3.11 H2.22 B0.11 Li0.11 N0.89 -","- C3.11111 H2.22222 B0.111111 Li0.111111 N0.888889 -","- C112 H80 B4 Li4 N32 -","36","18","","Tao Wu; Jian Zhang; Cong Zhou; Le Wang; Xianhui Bu; Pingyun Feng","Zeolite RHO-Type Net with the Lightest Elements","Journal of the American Chemical Society","2009","131","","6111","6113","10.1021/ja901725v","","","0.71073","MoKα","","0.2292","0.1706","","","0.4101","0.4546","","","","","","1.18","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104328","10.6599","0.0002","10.6608","0.0002","21.2449","0.0005","86.299","0.001","79.483","0.001","89.989","0.001","2368.66","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 B Cu N8 -","- C28 H20 B Cu N8 -","- C112 H80 B4 Cu4 N32 -","4","2","","Tao Wu; Jian Zhang; Cong Zhou; Le Wang; Xianhui Bu; Pingyun Feng","Zeolite RHO-Type Net with the Lightest Elements","Journal of the American Chemical Society","2009","131","","6111","6113","10.1021/ja901725v","","","0.71073","MoKα","","0.1704","0.1308","","","0.3223","0.3465","","","","","","1.107","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104329","18.6069","0.0006","18.6069","0.0006","22.6226","0.0014","90","","90","","120","","6783","0.5","213","2","213","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","MAMS-2","","","- C18 H18 O5 Zn -","- C18 H16 O5 Zn -","- C216 H192 O60 Zn12 -","12","1","","Shengqian Ma; Daofeng Sun; Daqiang Yuan; Xi-Sen Wang; Hong-Cai Zhou","Preparation and Gas Adsorption Studies of Three Mesh-Adjustable Molecular Sieves with a Common Structure","Journal of the American Chemical Society","2009","131","","6445","6451","10.1021/ja808896f","","","0.71073","MoKα","","0.09","0.0746","","","0.2043","0.2136","","","","","","1.06","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104330","18.9328","0.0012","18.9328","0.0012","22.307","0.003","90","","90","","120","","6924.7","1.1","213","2","213","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","MAMS-3","","","- C18 H18 Co O5 -","- C18 H16 Co O5 -","- C216 H192 Co12 O60 -","12","1","","Shengqian Ma; Daofeng Sun; Daqiang Yuan; Xi-Sen Wang; Hong-Cai Zhou","Preparation and Gas Adsorption Studies of Three Mesh-Adjustable Molecular Sieves with a Common Structure","Journal of the American Chemical Society","2009","131","","6445","6451","10.1021/ja808896f","","","0.71073","MoKα","","0.0832","0.0665","","","0.203","0.2098","","","","","","1.064","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104331","18.4472","0.0004","18.4472","0.0004","22.576","0.0012","90","","90","","120","","6653.3","0.4","213","2","213","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","MAMS-4","","","- C18 H18 Cu O5 -","- C18 H16 Cu O5 -","- C216 H192 Cu12 O60 -","12","1","","Shengqian Ma; Daofeng Sun; Daqiang Yuan; Xi-Sen Wang; Hong-Cai Zhou","Preparation and Gas Adsorption Studies of Three Mesh-Adjustable Molecular Sieves with a Common Structure","Journal of the American Chemical Society","2009","131","","6445","6451","10.1021/ja808896f","","","0.71073","MoKα","","0.0936","0.0731","","","0.2152","0.2268","","","","","","1.093","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104332","18.037","0.002","15.732","0.001","19.141","0.002","90","","115.677","0.001","90","","4895.1","0.8","111.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H66 B N2 Yb -","- C60 H66 B N2 Yb -","- C240 H264 B4 N8 Yb4 -","4","0.5","","Corwin H. Booth; Marc D. Walter; Daniel Kazhdan; Yung-Jin Hu; Wayne W. Lukens; Eric D. Bauer; Laurent Maron; Odile Eisenstein; Richard A. Andersen","Decamethylytterbocene Complexes of Bipyridines and Diazabutadienes: Multiconfigurational Ground States and Open-Shell Singlet Formation","Journal of the American Chemical Society","2009","131","","6480","6491","10.1021/ja809624w","","","0.7107","MoKα","","0.0545","0.0364","","0.0424","","0.0393","","","","","","1.397","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104333","13.702","0.003","9.152","0.002","17.958","0.005","90","","103.644","0.002","90","","2188.4","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O6 -","- C24 H26 N2 O6 -","- C96 H104 N8 O24 -","4","1","","Hongchao Guo; Qihai Xu; Ohyun Kwon","Phosphine-Promoted [3 + 3] Annulations of Aziridines With Allenoates: Facile Entry Into Highly Functionalized Tetrahydropyridines","Journal of the American Chemical Society","2009","131","","6318","6319","10.1021/ja8097349","","","0.71073","MoKα","","0.0672","0.0467","","","0.1115","0.1227","","","","","","1.071","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104334","11.115","0.0015","10.6621","0.0015","16.808","0.002","90","","107.044","0.002","90","","1904.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N2 O6 -","- C19 H26 N2 O6 -","- C76 H104 N8 O24 -","4","1","","Hongchao Guo; Qihai Xu; Ohyun Kwon","Phosphine-Promoted [3 + 3] Annulations of Aziridines With Allenoates: Facile Entry Into Highly Functionalized Tetrahydropyridines","Journal of the American Chemical Society","2009","131","","6318","6319","10.1021/ja8097349","","","0.71073","MoKα","","0.1283","0.0611","","","0.136","0.1635","","","","","","1.024","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104335","25.038","0.004","12.0303","0.0016","9.8885","0.0015","90","","105.419","0.004","90","","2871.4","0.7","143","1","143","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H26 O2 -","- C14 H26 O2 -","- C112 H208 O16 -","8","1","","Mahmud M. Hussain; Hongmei Li; Nusrah Hussain; Mercedes Ureña; Patrick J. Carroll; Patrick J. Walsh","Applications of 1-Alkenyl-1,1-Heterobimetallics in the Stereoselective Synthesis of Cyclopropylboronate Esters, Trisubstituted Cyclopropanols and 2,3-Disubstituted Cyclobutanones","Journal of the American Chemical Society","2009","131","","6516","6524","10.1021/ja900147s","","","0.71073","MoKα","","0.0538","0.0431","","","0.1032","0.1114","","","","","","1.078","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104336","21.008","0.003","12.0889","0.0015","9.875","0.0013","90","","106.017","0.003","90","","2410.5","0.6","143","1","143","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C11 H22 O2 -","- C11 H22 O2 -","- C88 H176 O16 -","8","1","","Mahmud M. Hussain; Hongmei Li; Nusrah Hussain; Mercedes Ureña; Patrick J. Carroll; Patrick J. Walsh","Applications of 1-Alkenyl-1,1-Heterobimetallics in the Stereoselective Synthesis of Cyclopropylboronate Esters, Trisubstituted Cyclopropanols and 2,3-Disubstituted Cyclobutanones","Journal of the American Chemical Society","2009","131","","6516","6524","10.1021/ja900147s","","","0.71073","MoKα","","0.0513","0.0416","","","0.1049","0.1135","","","","","","1.027","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104337","24.797","0.003","13.229","0.0012","9.6376","0.0009","90","","90","","90","","3161.5","0.6","143","1","143","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H18 Cl F3 O2 -","- C15 H18 Cl F3 O2 -","- C120 H144 Cl8 F24 O16 -","8","1","","Mahmud M. Hussain; Hongmei Li; Nusrah Hussain; Mercedes Ureña; Patrick J. Carroll; Patrick J. Walsh","Applications of 1-Alkenyl-1,1-Heterobimetallics in the Stereoselective Synthesis of Cyclopropylboronate Esters, Trisubstituted Cyclopropanols and 2,3-Disubstituted Cyclobutanones","Journal of the American Chemical Society","2009","131","","6516","6524","10.1021/ja900147s","","","0.71073","MoKα","","0.0738","0.0603","","","0.1596","0.1708","","","","","","1.062","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104338","28.63","0.03","6.521","0.007","40.62","0.04","90","","92.241","0.018","90","","7578","14","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C95 H16 F30 N8 O -","- C95 H16 F30 N8 O -","- C380 H64 F120 N32 O4 -","4","0.5","","Sung Cho; Jong Min Lim; Satoru Hiroto; Pyosang Kim; Hiroshi Shinokubo; Atsuhiro Osuka; Dongho Kim","Unusual Interchromophoric Interactions in β,β' Directly and Doubly Linked Corrole Dimers: Prohibited Electronic Communication and Abnormal Singlet Ground States","Journal of the American Chemical Society","2009","131","","6412","6420","10.1021/ja900220y","","","0.71073","MoKα","","0.1878","0.0946","","","0.2556","0.3159","","","","","","0.997","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104339","45.961","0.017","6.915","0.003","28.648","0.014","90","","115.291","0.014","90","","8232","6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H30 Cl8 F30 N8 -","- C88 H30.004 Cl8.002 F30 N8 -","- C352 H120.016 Cl32.008 F120 N32 -","4","0.5","","Sung Cho; Jong Min Lim; Satoru Hiroto; Pyosang Kim; Hiroshi Shinokubo; Atsuhiro Osuka; Dongho Kim","Unusual Interchromophoric Interactions in β,β' Directly and Doubly Linked Corrole Dimers: Prohibited Electronic Communication and Abnormal Singlet Ground States","Journal of the American Chemical Society","2009","131","","6412","6420","10.1021/ja900220y","","","0.71075","MoKα","","0.1358","0.0975","","","0.2748","0.3101","","","","","","1.085","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104340","14.9948","0.0004","39.4282","0.0008","16.3092","0.0004","90","","109.651","0.0011","90","","9080.7","0.4","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C100 H69 Cl3 F30 N8 O2 Zn2 -","- C100 H69 Cl3 F30 N8 O2 Zn2 -","- C400 H276 Cl12 F120 N32 O8 Zn8 -","4","1","","Sung Cho; Jong Min Lim; Satoru Hiroto; Pyosang Kim; Hiroshi Shinokubo; Atsuhiro Osuka; Dongho Kim","Unusual Interchromophoric Interactions in β,β' Directly and Doubly Linked Corrole Dimers: Prohibited Electronic Communication and Abnormal Singlet Ground States","Journal of the American Chemical Society","2009","131","","6412","6420","10.1021/ja900220y","","","0.71069","MoKα","","0.1171","0.0875","","","0.2412","0.27","","","","","","1.027","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104341","20.138","0.003","13.595","0.002","26.549","0.003","90","","95.316","0.006","90","","7237.2","1.7","293","2","16","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Cu F6 N2 P3 -","- C40 H36 Cu F6 N2 P3 -","- C320 H288 Cu8 F48 N16 P24 -","8","2","","Vorontsov, Ivan I.; Graber, Tim; Kovalevsky, Andrey Yu.; Novozhilova, Irina V.; Gembicky, Milan; Chen, Yu-Sheng; Coppens, Philip","Capturing and Analyzing the Excited-State Structure of a Cu(I) Phenanthroline Complex by Time-Resolved Diffraction and Theoretical Calculations","Journal of the American Chemical Society","2009","131","18","6566","6573","10.1021/ja900921p","","","0.49594","monochromatic","","0.0819","0.0525","","","0.1281","0.1412","","","","","","1.027","","","","has coordinates","219211","2020-10-21","18:00:00",""
"4104342","20.1851","0.0005","13.6617","0.0003","26.5689","0.0006","90","","95.445","0.001","90","","7293.7","0.3","90","1","90","1","","","","","","","in-house chemical synthesis","6","P 1 21/c 1","-P 2ybc","14","Cu(dmp)(diphos)PF6","(2.9-Dimethyl-1,10-phenanthroline)-(1,2-bis(diphenylphosphino) ethane)-copper(i) hexafluorophosphate","","- C40 H36 Cu F6 N2 P3 -","- C40 H36 Cu F6 N2 P3 -","- C320 H288 Cu8 F48 N16 P24 -","8","2","","Vorontsov, Ivan I.; Graber, Tim; Kovalevsky, Andrey Yu.; Novozhilova, Irina V.; Gembicky, Milan; Chen, Yu-Sheng; Coppens, Philip","Capturing and Analyzing the Excited-State Structure of a Cu(I) Phenanthroline Complex by Time-Resolved Diffraction and Theoretical Calculations","Journal of the American Chemical Society","2009","131","18","6566","6573","10.1021/ja900921p","","","0.71073","MoKα","","0.061","0.0346","","","0.0739","0.0881","","","","","","1.048","","","","has coordinates","219211","2020-10-21","18:00:00",""
"4104343","3.6827","0.0004","3.6827","0.0004","25.934","0.006","90","","90","","120","","304.6","0.08","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Mn0.95 Rb1.57 S6 Sn2.05 -","- Mn0.96 Rb1.572 S6 Sn2.04 -","- Mn0.96 Rb1.572 S6 Sn2.04 -","1","0.0277778","","Manolis J. Manos; Mercouri G. Kanatzidis","Highly Efficient and Rapid Cs+ Uptake by the Layered Metal Sulfide K2xMnxSn3-xS6 (KMS-1)","Journal of the American Chemical Society","2009","131","","6599","6607","10.1021/ja900977p","","","0.71073","MoKα","","0.0437","0.0406","","","0.0986","0.0997","","","","","","1.26","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104344","3.6969","0.0005","3.6969","0.0005","25.403","0.005","90","","90","","120","","300.67","0.08","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- K1.9 Mn0.95 S6 Sn2.05 -","- K1.872 Mn0.93 S6 Sn2.07 -","- K1.872 Mn0.93 S6 Sn2.07 -","1","0.0277778","","Manolis J. Manos; Mercouri G. Kanatzidis","Highly Efficient and Rapid Cs+ Uptake by the Layered Metal Sulfide K2xMnxSn3-xS6 (KMS-1)","Journal of the American Chemical Society","2009","131","","6599","6607","10.1021/ja900977p","","","0.71073","MoKα","","0.0278","0.0264","","","0.0658","0.0686","","","","","","1.192","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104345","3.6139","0.0008","3.6139","0.0008","26.867","0.012","90","","90","","120","","303.88","0.17","293","2","273","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Cs Mn0.95 S6 Sn2.05 -","- Cs0.993 Mn0.96 S6 Sn2.04 -","- Cs0.993 Mn0.96 S6 Sn2.04 -","1","0.0277778","","Manolis J. Manos; Mercouri G. Kanatzidis","Highly Efficient and Rapid Cs+ Uptake by the Layered Metal Sulfide K2xMnxSn3-xS6 (KMS-1)","Journal of the American Chemical Society","2009","131","","6599","6607","10.1021/ja900977p","","","0.71073","MoKα","","0.0674","0.065","","","0.1699","0.1711","","","","","","1.188","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104346","9.7","0.001","17.298","0.002","21.756","0.003","90","","95.666","0.002","90","","3632.6","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","03086","","","- C26 H58 Mg O2 Si4 -","- C26 H58 Mg O2 Si4 -","- C104 H232 Mg4 O8 Si16 -","4","1","","Stephen C. Chmely; Christin N. Carlson; Timothy P. Hanusa; Arnold L. Rheingold","Classical versus Bridged Allyl Ligands in Magnesium Complexes: The Role of Solvent","Journal of the American Chemical Society","2009","131","","6344","6345","10.1021/ja900998t","","","0.71073","MoKα","","0.0717","0.0475","","","0.1026","0.1117","","","","","","1.014","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104347","10.7597","0.0002","12.9099","0.0002","19.7051","0.0003","90","","100.165","0.001","90","","2694.21","0.08","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H42 Mg Si4 -","- C18 H42 Mg Si4 -","- C72 H168 Mg4 Si16 -","4","2","","Stephen C. Chmely; Christin N. Carlson; Timothy P. Hanusa; Arnold L. Rheingold","Classical versus Bridged Allyl Ligands in Magnesium Complexes: The Role of Solvent","Journal of the American Chemical Society","2009","131","","6344","6345","10.1021/ja900998t","","","1.54178","CuKα","","0.0292","0.0273","","","0.0695","0.0711","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104348","9.0245","0.0012","13.2478","0.0018","14.682","0.0019","94.179","0.007","99.608","0.007","93.006","0.006","1722.4","0.4","100","1","100","1","","","","","","","","6","P -1","-P 1","2","(IPr)Au[eta2-C7H10]+ SbF6-","","","- C34 H46 Au F6 N2 Sb -","- C34 H46 Au F6 N2 Sb -","- C68 H92 Au2 F12 N4 Sb2 -","2","1","","Timothy J. Brown; Marina G. Dickens; Ross A. Widenhoefer","Syntheses, X-ray Crystal Structures, and Solution Behavior of Monomeric, Cationic, Two-Coordinate Gold(I) π-Alkene Complexes","Journal of the American Chemical Society","2009","131","","6350","6351","10.1021/ja9015827","","","0.71073","MoKα","","0.0602","0.0412","","","0.0788","0.0826","","","","","","0.883","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104349","16.9803","0.0005","12.2366","0.0004","21.7326","0.0006","90","","110.479","0.002","90","","4230.2","0.2","110","1","110","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(IPr)Au[eta2-(CH3)2C=C(CH3)2]+ SbF6-","","","- C35 H52 Au Cl4 F6 N2 Sb -","- C35 H52 Au Cl4 F6 N2 Sb -","- C140 H208 Au4 Cl16 F24 N8 Sb4 -","4","1","","Timothy J. Brown; Marina G. Dickens; Ross A. Widenhoefer","Syntheses, X-ray Crystal Structures, and Solution Behavior of Monomeric, Cationic, Two-Coordinate Gold(I) π-Alkene Complexes","Journal of the American Chemical Society","2009","131","","6350","6351","10.1021/ja9015827","","","0.71073","MoKα","","0.0705","0.0391","","","0.0765","0.0838","","","","","","1.073","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104350","16.8505","0.0013","11.6076","0.0009","21.6262","0.0016","90","","106.172","0.004","90","","4062.6","0.5","100","1","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(IPr)Au[eta2-H2C=C(CH3)2]+ SbF6-","","","- C33 H48 Au Cl4 F6 N2 Sb -","- C33 H48 Au Cl4 F6 N2 Sb -","- C132 H192 Au4 Cl16 F24 N8 Sb4 -","4","1","","Timothy J. Brown; Marina G. Dickens; Ross A. Widenhoefer","Syntheses, X-ray Crystal Structures, and Solution Behavior of Monomeric, Cationic, Two-Coordinate Gold(I) π-Alkene Complexes","Journal of the American Chemical Society","2009","131","","6350","6351","10.1021/ja9015827","","","0.71073","MoKα","","0.0462","0.0351","","","0.0893","0.0934","","","","","","1.553","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104351","8.804","0.001","12.052","0.002","12.271","0.002","108.289","0.002","108.256","0.002","105.125","0.002","1076.8","0.3","144.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 O4 S2 -","- C24 H26 O4 S2 -","- C48 H52 O8 S4 -","2","1","","Pablo Mauleón; Rachel M. Zeldin; Ana Z. González; F. Dean Toste","Ligand-Controlled Access to [4 + 2] and [4 + 3] Cycloadditions in Gold-Catalyzed Reactions of Allene-Dienes","Journal of the American Chemical Society","2009","131","","6348","6349","10.1021/ja901649s","","","0.7107","MoKα","","0.0545","0.0392","","0.0537","","0.0508","","","","","","1.748","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104352","10.0379","0.0009","15.6091","0.0015","14.2205","0.0014","90","","90.283","0.001","90","","2228.1","0.4","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 Au Cl P -","- C23 H31 Au Cl P -","- C92 H124 Au4 Cl4 P4 -","4","1","","Pablo Mauleón; Rachel M. Zeldin; Ana Z. González; F. Dean Toste","Ligand-Controlled Access to [4 + 2] and [4 + 3] Cycloadditions in Gold-Catalyzed Reactions of Allene-Dienes","Journal of the American Chemical Society","2009","131","","6348","6349","10.1021/ja901649s","","","0.71073","MoKα","","0.0405","0.0302","","","0.0619","0.0659","","","","","","0.967","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104353","9.3733","0.0008","11.97","0.001","13.4864","0.0017","114.492","0.002","91.662","0.002","111.942","0.001","1246.6","0.2","124","2","124","2","","","","","","","","5","P -1","-P 1","2","RMZ2.024","TOSTE01","","- C27 H35 Au Cl P -","- C27 H35 Au Cl P -","- C54 H70 Au2 Cl2 P2 -","2","1","","Pablo Mauleón; Rachel M. Zeldin; Ana Z. González; F. Dean Toste","Ligand-Controlled Access to [4 + 2] and [4 + 3] Cycloadditions in Gold-Catalyzed Reactions of Allene-Dienes","Journal of the American Chemical Society","2009","131","","6348","6349","10.1021/ja901649s","","","0.71073","MoKα","","0.0471","0.0372","","","0.0783","0.0838","","","","","","1.057","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4104354","23.2928","0.0017","27.637","0.002","24.0457","0.0016","90","","97.338","0.002","90","","15352.5","1.9","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","","","- C204 H174 Cu12 N18 O60 -","- C204 H174 Cu12 N18 O60 -","- C408 H348 Cu24 N36 O120 -","2","0.5","","Jian-Rong Li; Daren J. Timmons; Hong-Cai Zhou","Interconversion between Molecular Polyhedra and Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","6368","6369","10.1021/ja901731z","","","0.71073","MoKα","","0.0795","0.0602","","","0.1674","0.1795","","","","","","1.003","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104355","24.56","0.003","24.56","0.003","59.19","0.009","90","","90","","120","","30920","7","213","2","213","2","","","","","","","","5","R -3 :H","-R 3","148","none","","","- C198 H162 Cu12 N18 O60 -","- C198 H162 Cu12 N18 O60 -","- C594 H486 Cu36 N54 O180 -","3","0.166667","","Jian-Rong Li; Daren J. Timmons; Hong-Cai Zhou","Interconversion between Molecular Polyhedra and Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","6368","6369","10.1021/ja901731z","","","0.71073","MoKα","","0.1457","0.0828","","","0.2459","0.2627","","","","","","1.11","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104356","25.293","0.008","25.293","0.008","54.096","0.017","90","","90","","120","","29971","16","213","2","213","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C198 H126 Cu12 N18 O54 -","- C198 H126 Cu12 N18 O54 -","- C594 H378 Cu36 N54 O162 -","3","0.166667","","Jian-Rong Li; Daren J. Timmons; Hong-Cai Zhou","Interconversion between Molecular Polyhedra and Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","6368","6369","10.1021/ja901731z","","","0.71073","MoKα","","0.1416","0.0656","","","0.166","0.1874","","","","","","0.752","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104357","30.5521","0.0015","30.5521","0.0015","30.5521","0.0015","90","","90","","90","","28518","2","293","2","293","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","none","","","- C33 H20 Cu2 N3 O9 -","- C33 H20 Cu2 N3 O9 -","- C396 H240 Cu24 N36 O108 -","12","0.125","","Jian-Rong Li; Daren J. Timmons; Hong-Cai Zhou","Interconversion between Molecular Polyhedra and Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","6368","6369","10.1021/ja901731z","","","0.71073","MoKα","","0.2597","0.0796","","","0.211","0.2851","","","","","","0.953","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104358","8.6896","0.001","18.229","0.002","24.344","0.003","90","","90","","90","","3856.2","0.8","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","none","","","- C44 H37 Cu N7 O4 -","- C44 H37 Cu N7 O4 -","- C176 H148 Cu4 N28 O16 -","4","1","","Jian-Rong Li; Daren J. Timmons; Hong-Cai Zhou","Interconversion between Molecular Polyhedra and Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","6368","6369","10.1021/ja901731z","","","0.71073","MoKα","","0.0893","0.0597","","","0.1541","0.17","","","","","","1.047","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104359","17.575","0.0004","11.552","0.0003","26.296","0.0005","90","","94.809","0.001","90","","5320","0.2","120","0.1","120","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3-trisilacyclopenta-2,4-diene","","- C43 H96 Si7 -","- C43 H96 Si7 -","- C172 H384 Si28 -","4","1","","Hiroyuki Yasuda; Vladimir Ya. Lee; Akira Sekiguchi","Si3C2-Rings: From a Nonconjugated Trisilacyclopentadiene to an Aromatic Trisilacyclopentadienide and Cyclic Disilenide","Journal of the American Chemical Society","2009","131","","6352","6353","10.1021/ja901881z","","","0.7107","MoKα","","0.052","0.0406","","","0.1193","0.1297","","","","","","0.967","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104360","16.095","0.0006","16.796","0.0007","19.281","0.0004","90","","94.288","0.002","90","","5197.7","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","C42 H91 O Li Si6","","- C42 H91 Li O Si6 -","- C42 H91 Li O Si6 -","- C168 H364 Li4 O4 Si24 -","4","1","","Hiroyuki Yasuda; Vladimir Ya. Lee; Akira Sekiguchi","Si3C2-Rings: From a Nonconjugated Trisilacyclopentadiene to an Aromatic Trisilacyclopentadienide and Cyclic Disilenide","Journal of the American Chemical Society","2009","131","","6352","6353","10.1021/ja901881z","","","0.7107","MoKα","","0.0839","0.0591","","","0.1733","0.1837","","","","","","1.055","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104361","9.7044","0.0002","9.7044","0.0002","6.8538","0.0003","90","","90","","90","","645.46","0.03","90","2","90","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","Copper(II) bifluoride pyrazine hexafluoroantimonate","","","- C8 H9 Cu F8 N4 Sb -","- C8 H9 Cu F8 N4 Sb -","- C16 H18 Cu2 F16 N8 Sb2 -","2","0.125","","Jamie L. Manson; John A. Schlueter; Kylee A. Funk; Heather I. Southerland; Brendan Twamley; Tom Lancaster; Stephen J. Blundell; Peter J. Baker; Francis L. Pratt; John Singleton; Ross D. McDonald; Paul A. Goddard; Pinaki Sengupta; Cristain D. Batista; Letan Ding; Changhoon Lee; Myung-Hwan Whangbo; Isabel Franke; Susan Cox; Chris Baines; Derek Trial","Strong H...F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF~2~)(pyrazine)~2~]SbF~6~, [Cu~2~F(HF)HF~2~(pyrazine)~4~](SbF~6~)~2~ and [CuAg(H~3~F~4~)(pyrazine)~5~](SbF~6~)~2~","Journal of the American Chemical Society","2009","131","","6733","6747","10.1021/ja808761d","","","0.71073","MoKα","","0.0152","0.0144","","","0.0359","0.0364","","","","","","1.09","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104362","9.719","0.002","9.719","0.002","6.865","0.003","90","","90","","90","","648.5","0.3","150","2","150","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","Copper(II) bifluoride pyrazine hexafluoroantimonate","","","- C8 H9 Cu F8 N4 Sb -","- C8 H9 Cu F8 N4 Sb -","- C16 H18 Cu2 F16 N8 Sb2 -","2","0.125","","Jamie L. Manson; John A. Schlueter; Kylee A. Funk; Heather I. Southerland; Brendan Twamley; Tom Lancaster; Stephen J. Blundell; Peter J. Baker; Francis L. Pratt; John Singleton; Ross D. McDonald; Paul A. Goddard; Pinaki Sengupta; Cristain D. Batista; Letan Ding; Changhoon Lee; Myung-Hwan Whangbo; Isabel Franke; Susan Cox; Chris Baines; Derek Trial","Strong H...F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF~2~)(pyrazine)~2~]SbF~6~, [Cu~2~F(HF)HF~2~(pyrazine)~4~](SbF~6~)~2~ and [CuAg(H~3~F~4~)(pyrazine)~5~](SbF~6~)~2~","Journal of the American Chemical Society","2009","131","","6733","6747","10.1021/ja808761d","","","0.71073","MoKα","","0.0189","0.0175","","","0.0452","0.0458","","","","","","1.103","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104363","9.72","0.0006","9.72","0.0006","6.9414","0.0009","90","","90","","90","","655.81","0.1","298","2","298","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","Copper(II) bifluoride pyrazine hexafluoroantimonate","","","- C8 H9 Cu F8 N4 Sb -","- C8 H9 Cu F8 N4 Sb -","- C16 H18 Cu2 F16 N8 Sb2 -","2","0.125","","Jamie L. Manson; John A. Schlueter; Kylee A. Funk; Heather I. Southerland; Brendan Twamley; Tom Lancaster; Stephen J. Blundell; Peter J. Baker; Francis L. Pratt; John Singleton; Ross D. McDonald; Paul A. Goddard; Pinaki Sengupta; Cristain D. Batista; Letan Ding; Changhoon Lee; Myung-Hwan Whangbo; Isabel Franke; Susan Cox; Chris Baines; Derek Trial","Strong H...F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF~2~)(pyrazine)~2~]SbF~6~, [Cu~2~F(HF)HF~2~(pyrazine)~4~](SbF~6~)~2~ and [CuAg(H~3~F~4~)(pyrazine)~5~](SbF~6~)~2~","Journal of the American Chemical Society","2009","131","","6733","6747","10.1021/ja808761d","","","0.71073","MoKα","","0.0185","0.0182","","","0.0489","0.0491","","","","","","1.083","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104364","13.5926","0.0005","19.9573","0.0007","19.8663","0.0007","90","","90","","90","","5389.2","0.3","90","2","90","2","","","","","","","","6","C m c a","-C 2ac 2","64","[(pyz)4Cu2(HF)F(F2H)][SbF6]2","","","- C16 H18 Cu2 F16 N8 Sb2 -","- C16 H18 Cu2 F16 N8 Sb2 -","- C128 H144 Cu16 F128 N64 Sb16 -","8","","","Jamie L. Manson; John A. Schlueter; Kylee A. Funk; Heather I. Southerland; Brendan Twamley; Tom Lancaster; Stephen J. Blundell; Peter J. Baker; Francis L. Pratt; John Singleton; Ross D. McDonald; Paul A. Goddard; Pinaki Sengupta; Cristain D. Batista; Letan Ding; Changhoon Lee; Myung-Hwan Whangbo; Isabel Franke; Susan Cox; Chris Baines; Derek Trial","Strong H...F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF~2~)(pyrazine)~2~]SbF~6~, [Cu~2~F(HF)HF~2~(pyrazine)~4~](SbF~6~)~2~ and [CuAg(H~3~F~4~)(pyrazine)~5~](SbF~6~)~2~","Journal of the American Chemical Society","2009","131","","6733","6747","10.1021/ja808761d","","","0.71073","MoKα","","0.0275","0.0218","","","0.0537","0.0582","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104365","13.5893","0.0015","19.974","0.003","19.893","0.003","90","","90","","90","","5399.6","1.3","150","2","150","2","","","","","","","","6","C m c a","-C 2ac 2","64","[(pyz)4Cu2(HF)F(F2H)][SbF6]2","","","- C16 H18 Cu2 F16 N8 Sb2 -","- C16 H18 Cu2 F16 N8 Sb2 -","- C128 H144 Cu16 F128 N64 Sb16 -","8","","","Jamie L. Manson; John A. Schlueter; Kylee A. Funk; Heather I. Southerland; Brendan Twamley; Tom Lancaster; Stephen J. Blundell; Peter J. Baker; Francis L. Pratt; John Singleton; Ross D. McDonald; Paul A. Goddard; Pinaki Sengupta; Cristain D. Batista; Letan Ding; Changhoon Lee; Myung-Hwan Whangbo; Isabel Franke; Susan Cox; Chris Baines; Derek Trial","Strong H...F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF~2~)(pyrazine)~2~]SbF~6~, [Cu~2~F(HF)HF~2~(pyrazine)~4~](SbF~6~)~2~ and [CuAg(H~3~F~4~)(pyrazine)~5~](SbF~6~)~2~","Journal of the American Chemical Society","2009","131","","6733","6747","10.1021/ja808761d","","","0.71073","MoKα","","0.0244","0.0233","","","0.071","0.0719","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104366","13.688","0.002","20.055","0.003","19.976","0.003","90","","90","","90","","5483.7","1.4","298","2","298","2","","","","","","","","6","C m c a","-C 2ac 2","64","[(pyz)4Cu2(HF)F(F2H)][SbF6]2","","","- C16 H18 Cu2 F16 N8 Sb2 -","- C16 H18 Cu2 F16 N8 Sb2 -","- C128 H144 Cu16 F128 N64 Sb16 -","8","","","Jamie L. Manson; John A. Schlueter; Kylee A. Funk; Heather I. Southerland; Brendan Twamley; Tom Lancaster; Stephen J. Blundell; Peter J. Baker; Francis L. Pratt; John Singleton; Ross D. McDonald; Paul A. Goddard; Pinaki Sengupta; Cristain D. Batista; Letan Ding; Changhoon Lee; Myung-Hwan Whangbo; Isabel Franke; Susan Cox; Chris Baines; Derek Trial","Strong H...F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF~2~)(pyrazine)~2~]SbF~6~, [Cu~2~F(HF)HF~2~(pyrazine)~4~](SbF~6~)~2~ and [CuAg(H~3~F~4~)(pyrazine)~5~](SbF~6~)~2~","Journal of the American Chemical Society","2009","131","","6733","6747","10.1021/ja808761d","","","0.71073","MoKα","","0.0325","0.0283","","","0.0636","0.0665","","","","","","1.148","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104367","15.0944","0.0006","15.5893","0.0007","14.7562","0.0006","90","","90","","90","","3472.3","0.3","150","2","150","2","","","","","","","","7","C m m a","-C 2a 2","67","","","","- C20 H23 Ag Cu F16 N10 Sb2 -","- C20 H23 Ag Cu F16 N10 Sb2 -","- C80 H92 Ag4 Cu4 F64 N40 Sb8 -","4","0.25","","Jamie L. Manson; John A. Schlueter; Kylee A. Funk; Heather I. Southerland; Brendan Twamley; Tom Lancaster; Stephen J. Blundell; Peter J. Baker; Francis L. Pratt; John Singleton; Ross D. McDonald; Paul A. Goddard; Pinaki Sengupta; Cristain D. Batista; Letan Ding; Changhoon Lee; Myung-Hwan Whangbo; Isabel Franke; Susan Cox; Chris Baines; Derek Trial","Strong H...F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF~2~)(pyrazine)~2~]SbF~6~, [Cu~2~F(HF)HF~2~(pyrazine)~4~](SbF~6~)~2~ and [CuAg(H~3~F~4~)(pyrazine)~5~](SbF~6~)~2~","Journal of the American Chemical Society","2009","131","","6733","6747","10.1021/ja808761d","","","0.71073","MoKα","","0.0682","0.039","","","0.0994","0.1083","","","","","","1.304","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104368","7.9725","0.0008","8.4866","0.0009","10.8938","0.0011","89.841","0.003","84.921","0.002","63.859","0.002","658.54","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","[(pyz)2Cu][SbF6]","","","- C8 H8 Cu F6 N4 Sb -","- C8 H8 Cu F6 N4 Sb -","- C16 H16 Cu2 F12 N8 Sb2 -","2","1","","Jamie L. Manson; John A. Schlueter; Kylee A. Funk; Heather I. Southerland; Brendan Twamley; Tom Lancaster; Stephen J. Blundell; Peter J. Baker; Francis L. Pratt; John Singleton; Ross D. McDonald; Paul A. Goddard; Pinaki Sengupta; Cristain D. Batista; Letan Ding; Changhoon Lee; Myung-Hwan Whangbo; Isabel Franke; Susan Cox; Chris Baines; Derek Trial","Strong H...F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF~2~)(pyrazine)~2~]SbF~6~, [Cu~2~F(HF)HF~2~(pyrazine)~4~](SbF~6~)~2~ and [CuAg(H~3~F~4~)(pyrazine)~5~](SbF~6~)~2~","Journal of the American Chemical Society","2009","131","","6733","6747","10.1021/ja808761d","","","0.71073","MoKα","","0.0266","0.0245","","","0.058","0.0588","","","","","","1.096","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104369","11.68","0.0002","17.471","0.0004","19.385","0.0005","69.482","0.001","74.174","0.001","89.58","0.001","3547.21","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H28 Cl0 N2 O0 -","- C45 H28 N2 -","- C180 H112 N8 -","4","2","","Yi Wei; Shingo Samori; Sachiko Tojo; Mamoru Fujitsuka; Jin-Sheng Lin; Chien-Tien Chen; Tetsuro Majima","Emission Mechanism of Doublyortho-Linked Quinoxaline/Diphenylfluorene or cis-Stilbene/Fluorene Hybrid Compounds Based on the Transient Absorption and Emission Measurements during Pulse Radiolysis","Journal of the American Chemical Society","2009","131","","6698","6707","10.1021/ja8090005","","","0.71073","MoKα","","0.1724","0.0876","","","0.2038","0.2567","","","","","","1.103","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104370","16.8902","0.0006","9.8465","0.0003","17.6024","0.0008","90","","107.789","0.001","90","","2787.48","0.18","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C41 H30 O2 -","- C41 H30 O2 -","- C164 H120 O8 -","4","1","","Yi Wei; Shingo Samori; Sachiko Tojo; Mamoru Fujitsuka; Jin-Sheng Lin; Chien-Tien Chen; Tetsuro Majima","Emission Mechanism of Doublyortho-Linked Quinoxaline/Diphenylfluorene or cis-Stilbene/Fluorene Hybrid Compounds Based on the Transient Absorption and Emission Measurements during Pulse Radiolysis","Journal of the American Chemical Society","2009","131","","6698","6707","10.1021/ja8090005","","","0.71073","MoKα","","0.1453","0.0579","","","0.1317","0.1873","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104371","13.5203","0.0002","30.6169","0.0006","17.9603","0.0003","90","","99.356","0.001","90","","7335.8","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79 H76 F12 Fe N6 O6 P2 -","- C79 H76 F12 Fe N6 O6 P2 -","- C316 H304 F48 Fe4 N24 O24 P8 -","4","1","","Alexander I. Prikhod'ko; Jean-Pierre Sauvage","Passing Two Strings through the Same Ring Using an Octahedral Metal Center as Template: A New Synthesis of [3]Rotaxanes","Journal of the American Chemical Society","2009","131","","6794","6807","10.1021/ja809267z","","","0.71073","MoKα","","0.1204","0.0676","","","0.1788","0.2056","","","","","","1.06","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104372","13.4954","0.0003","19.0943","0.0006","25.8961","0.0008","89.234","0.001","78.448","0.002","84.786","0.002","6510.7","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C123 H108 Co F18 N6 O12 P3 -","- C123 H108 Co F18 N6 O12 P3 -","- C246 H216 Co2 F36 N12 O24 P6 -","2","1","","Alexander I. Prikhod'ko; Jean-Pierre Sauvage","Passing Two Strings through the Same Ring Using an Octahedral Metal Center as Template: A New Synthesis of [3]Rotaxanes","Journal of the American Chemical Society","2009","131","","6794","6807","10.1021/ja809267z","","","0.71073","MoKα","","0.329","0.1465","","","0.3587","0.4388","","","","","","1.117","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104373","31.0363","0.0005","13.1163","0.0002","27.6377","0.0006","90","","117.889","0.001","90","","9944.1","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C108 H96 Co F18 N6 O10 P3 -","- C108 H96 Co F18 N6 O10 P3 -","- C432 H384 Co4 F72 N24 O40 P12 -","4","0.5","","Alexander I. Prikhod'ko; Jean-Pierre Sauvage","Passing Two Strings through the Same Ring Using an Octahedral Metal Center as Template: A New Synthesis of [3]Rotaxanes","Journal of the American Chemical Society","2009","131","","6794","6807","10.1021/ja809267z","","","0.71073","MoKα","","0.1591","0.088","","","0.2527","0.2969","","","","","","1.073","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104374","13.968","0.0004","16.041","0.0003","20.735","0.0006","103.808","0.002","98.228","0.001","101.688","0.002","4327.6","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C99 H78 Cl2 Co N6 O15 -","- C99 H78 Cl2 Co N6 O15 -","- C198 H156 Cl4 Co2 N12 O30 -","2","1","","Alexander I. Prikhod'ko; Jean-Pierre Sauvage","Passing Two Strings through the Same Ring Using an Octahedral Metal Center as Template: A New Synthesis of [3]Rotaxanes","Journal of the American Chemical Society","2009","131","","6794","6807","10.1021/ja809267z","","","0.71073","MoKα","","0.0918","0.0642","","","0.176","0.1918","","","","","","1.102","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104375","12.675","0.0003","14.9214","0.0004","19.4499","0.0005","79.543","0.001","75.832","0.001","89.533","0.001","3504.87","0.16","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H75 Cl12 N4 P Ru -","- C64 H75 Cl12.003 N4 P Ru -","- C128 H150 Cl24.006 N8 P2 Ru2 -","2","1","","Brandon R. Galan; Mateusz Pitak; Milan Gembicky; Jerome B. Keister; Steven T. Diver","Ligand-Promoted Carbene Insertion into the Aryl Substituent of an N-Heterocyclic Carbene Ligand in Ruthenium-Based Metathesis Catalysts","Journal of the American Chemical Society","2009","131","","6822","6832","10.1021/ja809984k","","","0.71073","MoKα","","0.1233","0.098","","","0.2626","0.2888","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104376","15.388","0.002","15.585","0.002","16.341","0.003","92.463","0.004","114.839","0.004","114.18","0.004","3133","0.8","90","1","90","1","","","","","","","","7","P -1","-P 1","2","","","","- C63 H61 Cl4 N4 O P Ru -","- C63 H61 Cl4 N4 O P Ru -","- C126 H122 Cl8 N8 O2 P2 Ru2 -","2","1","","Brandon R. Galan; Mateusz Pitak; Milan Gembicky; Jerome B. Keister; Steven T. Diver","Ligand-Promoted Carbene Insertion into the Aryl Substituent of an N-Heterocyclic Carbene Ligand in Ruthenium-Based Metathesis Catalysts","Journal of the American Chemical Society","2009","131","","6822","6832","10.1021/ja809984k","","","0.71073","MoKα","","0.0555","0.0492","","","0.1428","0.1473","","","","","","1.084","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104377","13.4404","0.0007","15.3105","0.0008","16.4038","0.0009","117.398","0.001","112.842","0.001","90.063","0.002","2694.4","0.3","90","1","90","1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H56 Cl5 N5 O Ru -","- C58 H56 Cl5 N5 O Ru -","- C116 H112 Cl10 N10 O2 Ru2 -","2","1","","Brandon R. Galan; Mateusz Pitak; Milan Gembicky; Jerome B. Keister; Steven T. Diver","Ligand-Promoted Carbene Insertion into the Aryl Substituent of an N-Heterocyclic Carbene Ligand in Ruthenium-Based Metathesis Catalysts","Journal of the American Chemical Society","2009","131","","6822","6832","10.1021/ja809984k","","","0.71073","MoKα","","0.0862","0.0544","","","0.1426","0.1677","","","","","","1.043","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104378","8.5932","0.0003","13.5318","0.0004","17.3502","0.0006","90","","90","","90","","2017.51","0.12","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Trichlorosilane-bis(p-tert-butylpyridine)","","- C18 H27 Cl3 N2 Si -","- C18 H27 Cl3 N2 Si -","- C72 H108 Cl12 N8 Si4 -","4","1","","Gerrit W. Fester; Jörg Wagler; Erica Brendler; Uwe Böhme; Daniela Gerlach; Edwin Kroke","Octahedral HSiCl3 and HSiCl2Me Adducts with Pyridines","Journal of the American Chemical Society","2009","131","","6855","6864","10.1021/ja901053w","","","0.71073","MoKα","","0.0585","0.0423","","","0.1083","0.1204","","","","","","1.105","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104379","8.4028","0.001","7.2048","0.0008","16.494","0.002","90","","91.419","0.004","90","","998.2","0.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis-(4-phenylpyridine)hydridotrichlorosilane","","- C22 H19 Cl3 N2 Si -","- C22 H19 Cl3 N2 Si -","- C44 H38 Cl6 N4 Si2 -","2","0.5","","Gerrit W. Fester; Jörg Wagler; Erica Brendler; Uwe Böhme; Daniela Gerlach; Edwin Kroke","Octahedral HSiCl3 and HSiCl2Me Adducts with Pyridines","Journal of the American Chemical Society","2009","131","","6855","6864","10.1021/ja901053w","","","0.71073","MoKα","","0.0893","0.0484","","","0.1108","0.12","","","","","","0.906","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4104380","15.5719","0.0013","13.3478","0.0011","7.1495","0.0006","90","","92.911","0.003","90","","1484.1","0.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis-(4-methylpyridine)methylhydridodichlorosilane","","- C13 H18 Cl2 N2 Si -","- C13 H18 Cl2 N2 Si -","- C52 H72 Cl8 N8 Si4 -","4","1","","Gerrit W. Fester; Jörg Wagler; Erica Brendler; Uwe Böhme; Daniela Gerlach; Edwin Kroke","Octahedral HSiCl3 and HSiCl2Me Adducts with Pyridines","Journal of the American Chemical Society","2009","131","","6855","6864","10.1021/ja901053w","","","0.71073","MoKα","","0.0668","0.0414","","","0.1108","0.1228","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104381","9.1395","0.0003","9.9123","0.0004","10.7813","0.0004","80.006","0.002","65.544","0.002","79.592","0.002","869.12","0.06","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","Bis-(4-dimethylaminopyridine)methylhydridodichlorosilane","","- C15 H24 Cl2 N4 Si -","- C15 H24 Cl2 N4 Si -","- C30 H48 Cl4 N8 Si2 -","2","1","","Gerrit W. Fester; Jörg Wagler; Erica Brendler; Uwe Böhme; Daniela Gerlach; Edwin Kroke","Octahedral HSiCl3 and HSiCl2Me Adducts with Pyridines","Journal of the American Chemical Society","2009","131","","6855","6864","10.1021/ja901053w","","","0.71073","MoKα","","0.0533","0.0361","","","0.0986","0.1049","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104382","16.463","0.0006","15.455","0.0005","10.138","0.0003","90","","123.341","0.002","90","","2154.93","0.13","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 B2 N2 Zr2 -","- C20 H32 B2 N2 Zr2 -","- C80 H128 B8 N8 Zr8 -","4","0.5","","Taryn D. Forster; Heikki M. Tuononen; Masood Parvez; Roland Roesler","Characterization of β-B-Agostic Isomers in Zirconocene Amidoborane Complexes","Journal of the American Chemical Society","2009","131","","6689","6691","10.1021/ja901460y","","","0.71073","MoKα","","0.0323","0.0268","","","0.064","0.0665","","","","","","1.048","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104383","7.984","0.0005","14.837","0.0005","10.305","0.0005","90","0.003","117.83","0.003","90","0.002","1079.52","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 B N Zr -","- C10 H16 B N Zr -","- C40 H64 B4 N4 Zr4 -","4","1","","Taryn D. Forster; Heikki M. Tuononen; Masood Parvez; Roland Roesler","Characterization of β-B-Agostic Isomers in Zirconocene Amidoborane Complexes","Journal of the American Chemical Society","2009","131","","6689","6691","10.1021/ja901460y","","","0.71073","MoKα","","0.0819","0.0536","","","0.0763","0.0843","","","","","","1.141","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104384","8.1","0.0004","10.792","0.0006","15.087","0.0006","90","","119.12","0.003","90","","1152.14","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 B Cl N Zr -","- C10 H15 B Cl N Zr -","- C40 H60 B4 Cl4 N4 Zr4 -","4","1","","Taryn D. Forster; Heikki M. Tuononen; Masood Parvez; Roland Roesler","Characterization of β-B-Agostic Isomers in Zirconocene Amidoborane Complexes","Journal of the American Chemical Society","2009","131","","6689","6691","10.1021/ja901460y","","","0.71073","MoKα","","0.0624","0.0354","","","0.0691","0.0781","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104385","9.649","0.003","9.649","0.003","5.198","0.003","90","","90","","120","","419.1","0.3","296","2","296","2","","","","","","","","4","P 63","P 6c","173","","","","- I6 Na2 O18 Ti -","- I6 Na2 O18 Ti -","- I6 Na2 O18 Ti -","1","0.166667","","Hong-Young Chang; Sang-Hwan Kim; Kang Min Ok; P. Shiv Halasyamani","Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6 (A = Li, Na, K, Rb, Cs, Tl)","Journal of the American Chemical Society","2009","131","","6865","6873","10.1021/ja9015099","","","0.71073","MoKα","","0.0505","0.0354","","","0.0553","0.0581","","","","","","1.099","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104386","11.2703","0.0006","11.2703","0.0006","11.3514","0.0011","90","","90","","120","","1248.68","0.15","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- I6 K2 O18 Ti -","- I6 K2 O18 Ti -","- I18 K6 O54 Ti3 -","3","0.166667","","Hong-Young Chang; Sang-Hwan Kim; Kang Min Ok; P. Shiv Halasyamani","Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6 (A = Li, Na, K, Rb, Cs, Tl)","Journal of the American Chemical Society","2009","131","","6865","6873","10.1021/ja9015099","","","0.71073","MoKα","","0.0281","0.0223","","","0.0517","0.0529","","","","","","1.152","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104387","11.3757","0.0016","11.3757","0.0016","11.426","0.003","90","","90","","120","","1280.5","0.4","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- I6 O18 Rb2 Ti -","- I6 O18 Rb2 Ti -","- I18 O54 Rb6 Ti3 -","3","0.166667","","Hong-Young Chang; Sang-Hwan Kim; Kang Min Ok; P. Shiv Halasyamani","Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6 (A = Li, Na, K, Rb, Cs, Tl)","Journal of the American Chemical Society","2009","131","","6865","6873","10.1021/ja9015099","","","0.71073","MoKα","","0.0596","0.0456","","","0.1198","0.1259","","","","","","1.137","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104388","11.6726","0.0005","11.6726","0.0005","11.6399","0.001","90","","90","","120","","1373.46","0.14","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cs2 I6 O18 Ti -","- Cs2 I6 O18 Ti -","- Cs6 I18 O54 Ti3 -","3","0.166667","","Hong-Young Chang; Sang-Hwan Kim; Kang Min Ok; P. Shiv Halasyamani","Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6 (A = Li, Na, K, Rb, Cs, Tl)","Journal of the American Chemical Society","2009","131","","6865","6873","10.1021/ja9015099","","","0.71073","MoKα","","0.0248","0.0164","","","0.0274","0.0286","","","","","","0.907","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104389","11.4167","0.0006","11.4167","0.0006","11.3953","0.0011","90","","90","","120","","1286.29","0.16","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- I6 O18 Ti Tl2 -","- I6 O18 Ti Tl2 -","- I18 O54 Ti3 Tl6 -","3","0.166667","","Hong-Young Chang; Sang-Hwan Kim; Kang Min Ok; P. Shiv Halasyamani","Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6 (A = Li, Na, K, Rb, Cs, Tl)","Journal of the American Chemical Society","2009","131","","6865","6873","10.1021/ja9015099","","","0.71073","MoKα","","0.0504","0.0421","","","0.1133","0.1157","","","","","","1.162","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104390","18.9145","0.0007","17.2265","0.0005","10.4262","0.0004","90","","90","","90","","3397.2","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C35 H55 N2 P Ru -","- C35 H56 N2 P Ru -","- C140 H224 N8 P4 Ru4 -","4","0.5","","Halil Aktas; J. Chris Slootweg; Marius Schakel; Andreas W. Ehlers; Martin Lutz; Anthony L. Spek; Koop Lammertsma","N-Heterocyclic Carbene-Functionalized Ruthenium Phosphinidenes: What a Difference a Twist Makes","Journal of the American Chemical Society","2009","131","","6666","6667","10.1021/ja901540h","","","0.71073","MoKα","","0.0408","0.0335","","","0.0817","0.0848","","","","","","1.172","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104391","19.5083","0.001","18.2986","0.0005","22.217","0.001","90","","113.4","0.0019","90","","7278.6","0.5","153.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C75 H98 Cl6 Ir2 O6 P2 -","- C75 H98 Cl6 Ir2 O6 P2 -","- C300 H392 Cl24 Ir8 O24 P8 -","4","1","","Tomohiro Iwai; Tetsuaki Fujihara; Jun Terao; Yasushi Tsuji","Iridium-Catalyzed Addition of Acid Chlorides to Terminal Alkynes","Journal of the American Chemical Society","2009","131","","6668","6669","10.1021/ja901778y","","","0.7107","MoKα","","","0.0373","","","","0.0907","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104392","13.077","0.011","7.098","0.006","14.856","0.012","90","","101.902","0.014","90","","1349.3","1.9","153.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cl F3 O -","- C16 H10 Cl F3 O -","- C64 H40 Cl4 F12 O4 -","4","1","","Tomohiro Iwai; Tetsuaki Fujihara; Jun Terao; Yasushi Tsuji","Iridium-Catalyzed Addition of Acid Chlorides to Terminal Alkynes","Journal of the American Chemical Society","2009","131","","6668","6669","10.1021/ja901778y","","","0.7107","MoKα","","","0.0597","","","","0.0748","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104393","14.7624","0.0015","5.7017","0.0006","16.5862","0.0015","90","","94.381","0.006","90","","1392","0.2","153.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H13 Cl O3 -","- C17 H13 Cl O3 -","- C68 H52 Cl4 O12 -","4","1","","Tomohiro Iwai; Tetsuaki Fujihara; Jun Terao; Yasushi Tsuji","Iridium-Catalyzed Addition of Acid Chlorides to Terminal Alkynes","Journal of the American Chemical Society","2009","131","","6668","6669","10.1021/ja901778y","","","0.7107","MoKα","","","0.0437","","","","0.0584","","","","","","0.962","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104394","7.1332","0.0002","9.229","0.0003","13.0111","0.0004","90","","103.216","0.001","90","","833.87","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H14 Cl N -","- C22 H14 Cl N -","- C44 H28 Cl2 N2 -","2","1","","Jorge García-Fortanet; Florian Kessler; Stephen L. Buchwald","Palladium-Catalyzed Asymmetric Dearomatization of Naphthalene Derivatives","Journal of the American Chemical Society","2009","131","","6676","6677","10.1021/ja9025193","","","1.54178","CuKα","","0.0226","0.0224","","","0.0594","0.0595","","","","","","1.038","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104395","9.6774","0.0007","11.5225","0.0008","17.5094","0.0013","90","","90","","90","","1952.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Br N -","- C25 H22 Br N -","- C100 H88 Br4 N4 -","4","1","","Jorge García-Fortanet; Florian Kessler; Stephen L. Buchwald","Palladium-Catalyzed Asymmetric Dearomatization of Naphthalene Derivatives","Journal of the American Chemical Society","2009","131","","6676","6677","10.1021/ja9025193","","","0.71073","MoKα","","0.0264","0.0237","","","0.0608","0.062","","","","","","1.037","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104396","10.4928","0.0003","5.1755","0.0001","11.2885","0.0003","90","","112.412","0.001","90","","566.72","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C24 H40 O8 -","2","1","","Christopher J. Morten; Timothy F. Jamison","Water Overcomes Methyl Group Directing Effects in Epoxide-Opening Cascades","Journal of the American Chemical Society","2009","131","","6678","6679","10.1021/ja9025243","","","1.54178","CuKα","","0.0283","0.0281","","","0.0839","0.0842","","","","","","1.102","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104397","18.9594","0.0015","18.4485","0.0015","13.177","0.004","90","","104.204","0.003","90","","4468","1.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C35 H36 O16 Zn2 -","- C35 H30 O16 Zn2 -","- C140 H120 O64 Zn8 -","4","1","","Zhengang Guo; Rong Cao; Xin Wang; Hongfang Li; Wenbing Yuan; Guojian Wang; Haohan Wu; Jing Li","A Multifunctional 3D Ferroelectric and NLO-Active Porous Metal-Organic Framework","Journal of the American Chemical Society","2009","131","","6894","6895","10.1021/ja9000129","","","0.71073","MoKα","","0.0548","0.0481","","","0.1361","0.1428","","","","","","0.905","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104398","8.6537","0.0006","9.4166","0.0006","13.4394","0.0009","90","","90","","90","","1095.16","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Bassam K. Alnasleh; William M. Sherrill; Marina Rubina; Joseph Banning; Michael Rubin","Highly Diastereoselective Formal Nucleophilic Substitution of Bromocyclopropanes","Journal of the American Chemical Society","2009","131","","6906","6907","10.1021/ja900634m","","","0.71073","MoKα","","0.0561","0.05","","","0.0978","0.1004","","","","","","1.057","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104399","4.1566","0.0004","14.0039","0.0012","16.4888","0.0015","90","","94.338","0.006","90","","957.04","0.15","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ClBPTSMe","","","- C6 H3 Cl N3 S2 Se2 -","- C6 H3 Cl N3 S2 Se2 -","- C24 H12 Cl4 N12 S8 Se8 -","4","1","","Alicea A. Leitch; Xueyang Yu; Stephen M. Winter; Richard A. Secco; Paul A. Dube; Richard T. Oakley","Structure and Property Correlations in Heavy Atom Radical Conductors","Journal of the American Chemical Society","2009","131","","7112","7125","10.1021/ja900853t","","","1.54178","CuKα","","0.0656","0.0442","","","0.1035","0.1115","","","","","","1.065","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104400","4.1932","0.0002","15.1413","0.0008","16.1531","0.0008","90","","90","","90","","1025.57","0.09","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","ClBPSTMe","","","- C6 H3 Cl N3 S2 Se2 -","- C6 H3 Cl N3 S2 Se2 -","- C24 H12 Cl4 N12 S8 Se8 -","4","1","","Alicea A. Leitch; Xueyang Yu; Stephen M. Winter; Richard A. Secco; Paul A. Dube; Richard T. Oakley","Structure and Property Correlations in Heavy Atom Radical Conductors","Journal of the American Chemical Society","2009","131","","7112","7125","10.1021/ja900853t","","","0.71073","MoKα","","0.0389","0.0268","","","0.0499","0.0527","","","","","","1.024","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104401","4.1978","0.0002","14.318","0.0008","16.7655","0.0009","90","","96.22","0.001","90","","1001.74","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ClBPSSMe","","","- C6 H3 Cl N3 Se4 -","- C6 H3 Cl N3 Se4 -","- C24 H12 Cl4 N12 Se16 -","4","1","","Alicea A. Leitch; Xueyang Yu; Stephen M. Winter; Richard A. Secco; Paul A. Dube; Richard T. Oakley","Structure and Property Correlations in Heavy Atom Radical Conductors","Journal of the American Chemical Society","2009","131","","7112","7125","10.1021/ja900853t","","","0.71073","MoKα","","0.0296","0.0235","","","0.0521","0.0537","","","","","","0.969","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104402","13.023","0.003","13.385","0.004","14.076","0.004","80.98","0.004","86.683","0.004","61.886","0.003","2137","1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","ZP1_2,2-DPA-DCF","","","- C48 H41 Cl2 N7 O6 -","- C48 H41 Cl2 N7 O6 -","- C96 H82 Cl4 N14 O12 -","2","1","","Brian A. Wong; Simone Friedle; Stephen J. Lippard","Solution and Fluorescence Properties of Symmetric Dipicolylamine-Containing Dichlorofluorescein-Based Zn2+ Sensors","Journal of the American Chemical Society","2009","131","","7142","7152","10.1021/ja900980u","","","0.71073","MoKα","","0.061","0.0487","","","0.1192","0.1267","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104403","14.766","0.003","14.851","0.003","22.573","0.004","92.659","0.003","105.087","0.002","117.641","0.003","4152.3","1.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","2,4-DPA-DCF","","","- C48 H39 Cl2 N7 O5.25 -","- C48 H39 Cl2 N7 O5.25 -","- C192 H156 Cl8 N28 O21 -","4","2","","Brian A. Wong; Simone Friedle; Stephen J. Lippard","Solution and Fluorescence Properties of Symmetric Dipicolylamine-Containing Dichlorofluorescein-Based Zn2+ Sensors","Journal of the American Chemical Society","2009","131","","7142","7152","10.1021/ja900980u","","","0.71073","MoKα","","0.0734","0.0511","","","0.1261","0.1384","","","","","","1.039","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104404","10.521","0.002","11.825","0.003","12.749","0.003","90.43","0.003","111.283","0.003","111.419","0.003","1357.8","0.5","476","2","476","2","","","","","","","","5","P -1","-P 1","2","DEA-DCF","","","- C30 H31 Cl2 N2 O5 -","- C30 H31 Cl2 N2 O5 -","- C60 H62 Cl4 N4 O10 -","2","1","","Brian A. Wong; Simone Friedle; Stephen J. Lippard","Solution and Fluorescence Properties of Symmetric Dipicolylamine-Containing Dichlorofluorescein-Based Zn2+ Sensors","Journal of the American Chemical Society","2009","131","","7142","7152","10.1021/ja900980u","","","0.71073","MoKα","","0.0581","0.0477","","","0.1167","0.1234","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104405","6.3985","0.0005","7.5006","0.0005","12.1391","0.0009","90.32","0.007","96.714","0.006","103.08","0.009","563.27","0.07","300","","300","","","","170000","","","","","4","P -1","-P 1","2","","Au(tmdt)2","","- C18 H12 Au S12 -","- C18 H12 Au S12 -","- C18 H12 Au S12 -","1","0.5","","Yoshinori Okano; Biao Zhou; Hishashi Tanaka; Takafumi Adachi; Yasuo Ohishi; Masaki Takata; Shinobu Aoyagi; Eiji Nishibori; Makoto Sakata; Akiko Kobayashi; Hayao Kobayashi","High-Pressure (up to 10.7 GPa) Crystal Structure of Single-Component Molecular Metal [Au(tmdt)2]","Journal of the American Chemical Society","2009","131","","7169","7174","10.1021/ja9010018","powder diffraction","","0.49559","synchrotron","","","","","","","","","0.039","","","","","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104406","6.2925","0.0007","7.3513","0.0006","12.0494","0.0011","89.596","0.008","96.355","0.009","102.898","0.014","539.89","0.09","300","","300","","","","780000","","","","","4","P -1","-P 1","2","","Au(tmdt)2","","- C18 H12 Au S12 -","- C18 H12 Au S12 -","- C18 H12 Au S12 -","1","0.5","","Yoshinori Okano; Biao Zhou; Hishashi Tanaka; Takafumi Adachi; Yasuo Ohishi; Masaki Takata; Shinobu Aoyagi; Eiji Nishibori; Makoto Sakata; Akiko Kobayashi; Hayao Kobayashi","High-Pressure (up to 10.7 GPa) Crystal Structure of Single-Component Molecular Metal [Au(tmdt)2]","Journal of the American Chemical Society","2009","131","","7169","7174","10.1021/ja9010018","powder diffraction","","0.49559","synchrotron","","","","","","","","","0.042","","","","","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104407","6.2129","0.0006","7.2359","0.0006","11.9817","0.0012","89.145","0.009","96.038","0.01","102.756","0.014","522.42","0.09","300","","300","","","","1300000","","","","","4","P -1","-P 1","2","","Au(tmdt)2","","- C18 H12 Au S12 -","- C18 H12 Au S12 -","- C18 H12 Au S12 -","1","0.5","","Yoshinori Okano; Biao Zhou; Hishashi Tanaka; Takafumi Adachi; Yasuo Ohishi; Masaki Takata; Shinobu Aoyagi; Eiji Nishibori; Makoto Sakata; Akiko Kobayashi; Hayao Kobayashi","High-Pressure (up to 10.7 GPa) Crystal Structure of Single-Component Molecular Metal [Au(tmdt)2]","Journal of the American Chemical Society","2009","131","","7169","7174","10.1021/ja9010018","powder diffraction","","0.49559","synchrotron","","","","","","","","","0.04","","","","","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104408","6.0539","0.0005","7.009","0.0005","11.8438","0.001","88.216","0.01","95.438","0.008","102.638","0.014","488.14","0.07","300","","300","","","","2960000","","","","","4","P -1","-P 1","2","","Au(tmdt)2","","- C18 H12 Au S12 -","- C18 H12 Au S12 -","- C18 H12 Au S12 -","1","0.5","","Yoshinori Okano; Biao Zhou; Hishashi Tanaka; Takafumi Adachi; Yasuo Ohishi; Masaki Takata; Shinobu Aoyagi; Eiji Nishibori; Makoto Sakata; Akiko Kobayashi; Hayao Kobayashi","High-Pressure (up to 10.7 GPa) Crystal Structure of Single-Component Molecular Metal [Au(tmdt)2]","Journal of the American Chemical Society","2009","131","","7169","7174","10.1021/ja9010018","powder diffraction","","0.49559","synchrotron","","","","","","","","","0.027","","","","","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104409","5.9126","0.0006","6.8074","0.0006","11.7174","0.0008","87.4","0.01","94.883","0.009","102.49","0.02","458.61","0.08","300","","300","","","","5500000","","","","","4","P -1","-P 1","2","","Au(tmdt)2","","- C18 H12 Au S12 -","- C18 H12 Au S12 -","- C18 H12 Au S12 -","1","0.5","","Yoshinori Okano; Biao Zhou; Hishashi Tanaka; Takafumi Adachi; Yasuo Ohishi; Masaki Takata; Shinobu Aoyagi; Eiji Nishibori; Makoto Sakata; Akiko Kobayashi; Hayao Kobayashi","High-Pressure (up to 10.7 GPa) Crystal Structure of Single-Component Molecular Metal [Au(tmdt)2]","Journal of the American Chemical Society","2009","131","","7169","7174","10.1021/ja9010018","powder diffraction","","0.49559","synchrotron","","","","","","","","","0.03","","","","","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104410","5.7645","0.001","6.5657","0.0009","11.591","0.002","86.318","0.014","94.352","0.015","102.41","0.03","426.69","0.13","300","","300","","","","10660000","","","","","4","P -1","-P 1","2","","Au(tmdt)2","","- C18 H12 Au S12 -","- C18 H12 Au S12 -","- C18 H12 Au S12 -","1","0.5","","Yoshinori Okano; Biao Zhou; Hishashi Tanaka; Takafumi Adachi; Yasuo Ohishi; Masaki Takata; Shinobu Aoyagi; Eiji Nishibori; Makoto Sakata; Akiko Kobayashi; Hayao Kobayashi","High-Pressure (up to 10.7 GPa) Crystal Structure of Single-Component Molecular Metal [Au(tmdt)2]","Journal of the American Chemical Society","2009","131","","7169","7174","10.1021/ja9010018","powder diffraction","","0.49559","synchrotron","","","","","","","","","0.035","","","","","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104411","29.389","0.003","43.595","0.005","45.965","0.005","90","","90","","90","","58891","11","113","2","113","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C144 H484 Br12 Cl18 Er60 N34 O354 -","- C140 H340 Er60 N34 O232 -","- C560 H1360 Er240 N136 O928 -","4","0.5","","Xiang-Jian Kong; Yinglan Wu; La-Sheng Long; Lan-Sun Zheng; Zhiping Zheng","A Chiral 60-Metal Sodalite Cage Featuring 24 Vertex-Sharing [Er4(μ3-OH)4] Cubanes","Journal of the American Chemical Society","2009","131","","6918","6919","10.1021/ja901214d","","","0.71073","MoKα","","0.114","0.0633","","","0.1271","0.141","","","","","","1.036","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104412","29.2379","0.0003","43.3554","0.0006","46.0899","0.0005","90","","90","","90","","58424.5","1.2","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C144 H484 Br12 Cl18 Er60 N34 O354 -","- C140 H340 Er60 N34 O238 -","- C560 H1360 Er240 N136 O952 -","4","0.5","","Xiang-Jian Kong; Yinglan Wu; La-Sheng Long; Lan-Sun Zheng; Zhiping Zheng","A Chiral 60-Metal Sodalite Cage Featuring 24 Vertex-Sharing [Er4(μ3-OH)4] Cubanes","Journal of the American Chemical Society","2009","131","","6918","6919","10.1021/ja901214d","","","1.54178","CuKα","","0.1164","0.1042","","","0.2441","0.2529","","","","","","1.058","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104413","11.5735","0.0002","11.5735","0.0002","6.9885","0.0003","90","","90","","120","","810.67","0.04","193","2","193","2","","","","","","","","5","P 32","P 32","145","","","","- C10 H11 B N2 O4 -","- C10 H11 B N2 O4 -","- C30 H33 B3 N6 O12 -","3","1","","David M. Knapp; Eric P. Gillis; Martin D. Burke","A General Solution for Unstable Boronic Acids: Slow-Release Cross-Coupling from Air-Stable MIDA Boronates","Journal of the American Chemical Society","2009","131","","6961","6963","10.1021/ja901416p","","","0.71073","MoKα","","0.0285","0.0264","","","0.0693","0.0721","","","","","","1.079","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104414","12.9806","0.0011","13.0795","0.0012","17.3387","0.0015","95.315","0.001","109.101","0.001","111.843","0.001","2503.7","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H70 Ge O2 -","- C63 H70 Ge O2 -","- C126 H140 Ge2 O4 -","2","1","","Xinping Wang; Zhongliang Zhu; Yang Peng; Hao Lei; James C. Fettinger; Philip P. Power","Room-Temperature Reaction of Carbon Monoxide with a Stable Diarylgermylene","Journal of the American Chemical Society","2009","131","","6912","6913","10.1021/ja9017286","","","0.71073","MoKα","","0.0802","0.0464","","","0.1044","0.1131","","","","","","0.978","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104415","10.8193","0.0005","49.856","0.002","14.1848","0.0006","90","","97.784","0.001","90","","7580.9","0.6","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C185 H228 Ge2 O4 -","- C185 H228 Ge2 O4 -","- C370 H456 Ge4 O8 -","2","0.5","","Xinping Wang; Zhongliang Zhu; Yang Peng; Hao Lei; James C. Fettinger; Philip P. Power","Room-Temperature Reaction of Carbon Monoxide with a Stable Diarylgermylene","Journal of the American Chemical Society","2009","131","","6912","6913","10.1021/ja9017286","","","0.71073","MoKα","","0.0792","0.0509","","","0.1154","0.1229","","","","","","1.045","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104416","8.404","0.0009","5.9967","0.0006","11.1389","0.001","90","","106.366","0.004","90","","538.61","0.09","150","1","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 O2 S -","- C12 H14 O2 S -","- C24 H28 O4 S2 -","2","1","","Matthew M. Coulter; Peter K. Dornan; Vy M. Dong","Rh-Catalyzed Intramolecular Olefin Hydroacylation: Enantioselective Synthesis of Seven- and Eight-Membered Heterocycles","Journal of the American Chemical Society","2009","131","","6932","6933","10.1021/ja901915u","","","0.71073","MoKα","","0.0665","0.0457","","","0.0979","0.1103","","","","","","1.063","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104417","8.2853","0.0004","13.867","0.0008","6.4876","0.0003","90","","103.698","0.003","90","","724.17","0.06","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 Cl4 Co2 O4 -","- C8 H16 Cl4 Co2 O4 -","- C16 H32 Cl8 Co4 O8 -","2","0.25","","Zhiming Duan; Yan Zhang; Bin Zhang; Daoben Zhu","Crystal-to-Crystal Transformation from Antiferromagnetic Chains into a Ferromagnetic Diamondoid Framework","Journal of the American Chemical Society","2009","131","","6934","6935","10.1021/ja902101x","","","0.71073","MoKα","","0.0367","0.027","","","0.063","0.0656","","","","","","1.076","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104418","6.859","0.0002","9.1904","0.0003","8.0991","0.0003","90","","114.854","0.001","90","","463.26","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 Cl Co0.5 O2 -","- C2 H6 Cl Co0.5 O2 -","- C8 H24 Cl4 Co2 O8 -","4","1","","Zhiming Duan; Yan Zhang; Bin Zhang; Daoben Zhu","Crystal-to-Crystal Transformation from Antiferromagnetic Chains into a Ferromagnetic Diamondoid Framework","Journal of the American Chemical Society","2009","131","","6934","6935","10.1021/ja902101x","","","0.71073","MoKα","","0.0298","0.023","","","0.0534","0.0554","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104419","6.3066","0.0007","8.188","0.0008","26.402","0.002","90","","90","","90","","1363.4","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Br N2 O -","- C15 H15 Br N2 O -","- C60 H60 Br4 N8 O4 -","4","1","","David Marcoux; Soula Azzi; André B. Charette","TfNH2 as Achiral Hydrogen-Bond Donor Additive to Enhance the Selectivity of a Transition Metal Catalyzed Reaction. Highly Enantio- and Diastereoselective Rhodium-Catalyzed Cyclopropanation of Alkenes Using α-Cyano Diazoacetamide","Journal of the American Chemical Society","2009","131","","6970","6972","10.1021/ja902205f","","","1.54178","CuKα","","0.0349","0.0347","","","0.0938","0.094","","","","","","1.071","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104420","22.8055","0.0012","23.0389","0.0012","17.2256","0.0009","90","","90","","90","","9050.6","0.8","153","2","153","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C52 H46 Ir N O9 P2 -","- C48 H36 Ir N O8 P2 -","- C384 H288 Ir8 N8 O64 P16 -","8","2","","Soo Bong Han; In Su Kim; Hoon Han; Michael J. Krische","Enantioselective Carbonyl Reverse Prenylation from the Alcohol or Aldehyde Oxidation Level Employing 1,1-Dimethylallene as the Prenyl Donor","Journal of the American Chemical Society","2009","131","","6916","6917","10.1021/ja902437k","","","0.71073","MoKα","","0.1042","0.0809","","","0.1462","0.1495","","","","","","1.769","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104421","12.9468","0.001","10.525","0.0008","20.5386","0.0018","90","","93.473","0.005","90","","2793.6","0.4","193","2","193","2","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C57 H56 B Cl3 F4 Fe Ni O P4 S2 -","- C57 H56 B Cl3 F4 Fe Ni O P4 S2 -","- C114 H112 B2 Cl6 F8 Fe2 Ni2 O2 P8 S4 -","2","1","","Bryan E. Barton; C. Matthew Whaley; Thomas B. Rauchfuss; Danielle L. Gray","Nickel-Iron Dithiolato Hydrides Relevant to the [NiFe]-Hydrogenase Active Site","Journal of the American Chemical Society","2009","131","","6942","6943","10.1021/ja902570u","","","0.71073","MoKα","","0.0854","0.0596","","","0.132","0.145","","","","","","1.167","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104422","9.8894","0.0007","11.643","0.0008","20.6688","0.0015","74.482","0.005","84.864","0.004","77.498","0.004","2237.5","0.3","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C84 H102 B2 F8 Fe2 Ni2 O11 P4 S4 -","- C83.992 H101.984 B2 F8 Fe2 Ni2 O10.998 P4 S4 -","- C83.992 H101.984 B2 F8 Fe2 Ni2 O10.998 P4 S4 -","1","0.5","","Bryan E. Barton; C. Matthew Whaley; Thomas B. Rauchfuss; Danielle L. Gray","Nickel-Iron Dithiolato Hydrides Relevant to the [NiFe]-Hydrogenase Active Site","Journal of the American Chemical Society","2009","131","","6942","6943","10.1021/ja902570u","","","0.71073","MoKα","","0.2166","0.0702","","","0.1282","0.178","","","","","","0.961","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104423","28.776","0.014","11.868","0.006","32.32","0.02","90","","115.653","0.006","90","","9950","9","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C64 H42 Cl4 N4 -","- C64 H42 Cl4 N4 -","- C512 H336 Cl32 N32 -","8","1","","Hiroshi Miyasaka; Yusuke Satoh; Yukihide Ishibashi; Syoji Ito; Yutaka Nagasawa; Seiji Taniguchi; Haik Chosrowjan; Noboru Mataga; Daisuke Kato; Azusa Kikuchi; Jiro Abe","Ultrafast Photodissociation Dynamics of a Hexaarylbiimidazole Derivative with Pyrenyl Groups: Dispersive Reaction from Femtosecond to 10 ns Time Regions","Journal of the American Chemical Society","2009","131","","7256","7263","10.1021/ja809195s","","","0.71073","MoKα","","0.0822","0.0699","","","0.171","0.1801","","","","","","1.032","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104424","16.21","0.004","20.391","0.005","23.229","0.006","90","","98.095","0.012","90","","7602","3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H58 F20 N6 Si2 -","- C76 H58 F20 N6 Si2 -","- C304 H232 F80 N24 Si8 -","4","1","","Min-Chul Yoon; Sung Cho; Masaaki Suzuki; Atsuhiro Osuka; Dongho Kim","Aromatic versus Antiaromatic Effect on Photophysical Properties of Conformationally Lockedtrans-Vinylene-Bridged Hexaphyrins","Journal of the American Chemical Society","2009","131","","7360","7367","10.1021/ja9000536","","","0.71075","MoKα","","0.1556","0.1267","","","0.3595","0.3746","","","","","","1.322","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104425","11.2927","0.0012","12.2466","0.0013","15.2241","0.0015","73.373","0.002","79.17","0.002","68.124","0.002","1864.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","dppmAu2Br6","","","- C26 H24 Au2 Br6 Cl2 P2 -","- C26 H24 Au2 Br6 Cl2 P2 -","- C52 H48 Au4 Br12 Cl4 P4 -","2","1","","Thomas S. Teets; Daniel G. Nocera","Halogen Photoreductive Elimination from Gold(III) Centers","Journal of the American Chemical Society","2009","131","","7411","7420","10.1021/ja9009937","","","0.71073","MoKα","","0.0658","0.0408","","","0.1042","0.1189","","","","","","1.021","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104426","9.5914","0.0008","15.0383","0.0013","26.602","0.002","90","","96.941","0.002","90","","3808.9","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","dcpmAu2Br6","","","- C27 H50 Au2 Br6 Cl2 P2 -","- C27 H50 Au2 Br6 Cl2 P2 -","- C108 H200 Au8 Br24 Cl8 P8 -","4","1","","Thomas S. Teets; Daniel G. Nocera","Halogen Photoreductive Elimination from Gold(III) Centers","Journal of the American Chemical Society","2009","131","","7411","7420","10.1021/ja9009937","","","0.71073","MoKα","","0.0407","0.0344","","","0.073","0.0749","","","","","","1.173","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104427","15.787","0.002","15.787","0.002","30.811","0.004","90","","90","","120","","6650.2","1.5","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C30 H51 Au2 Cl12 P2 -","- C30 H51 Au2 Cl12 P2 -","- C180 H306 Au12 Cl72 P12 -","6","1","","Thomas S. Teets; Daniel G. Nocera","Halogen Photoreductive Elimination from Gold(III) Centers","Journal of the American Chemical Society","2009","131","","7411","7420","10.1021/ja9009937","","","0.71073","MoKα","","0.0471","0.0406","","","0.1026","0.108","","","","","","1.079","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104428","9.9293","0.0006","14.9256","0.0009","21.1774","0.0013","90","","93.054","0.001","90","","3134","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dppmAu2Cl6","","","- C26 H24 Au2 Cl8 P2 -","- C26 H24 Au2 Cl8 P2 -","- C104 H96 Au8 Cl32 P8 -","4","1","","Thomas S. Teets; Daniel G. Nocera","Halogen Photoreductive Elimination from Gold(III) Centers","Journal of the American Chemical Society","2009","131","","7411","7420","10.1021/ja9009937","","","0.71073","MoKα","","0.0301","0.0234","","","0.0481","0.0507","","","","","","1.032","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104429","12.57","0.003","13.011","0.003","16.508","0.003","90","","90","","90","","2699.9","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","dppmAuClAuCl3","","","- C25 H22 Au2 Cl4 P2 -","- C25 H22 Au2 Cl4 P2 -","- C100 H88 Au8 Cl16 P8 -","4","1","","Thomas S. Teets; Daniel G. Nocera","Halogen Photoreductive Elimination from Gold(III) Centers","Journal of the American Chemical Society","2009","131","","7411","7420","10.1021/ja9009937","","","0.71073","MoKα","","0.0315","0.0293","","","0.0671","0.0678","","","","","","1.052","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104430","11.7519","0.0009","14.3982","0.001","19.2592","0.0014","90","","95.461","0.001","90","","3244","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dcpm(AuBr)(AuBr3)","","","- C25 H46 Au2 Br4 P2 -","- C25 H46 Au2 Br4 P2 -","- C100 H184 Au8 Br16 P8 -","4","1","","Thomas S. Teets; Daniel G. Nocera","Halogen Photoreductive Elimination from Gold(III) Centers","Journal of the American Chemical Society","2009","131","","7411","7420","10.1021/ja9009937","","","0.71073","MoKα","","0.0444","0.0319","","","0.0748","0.0805","","","","","","1.048","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104431","17.2194","0.0014","13.7859","0.0014","18.2238","0.0016","90","","99.905","0.002","90","","4261.6","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","PCy3AuCl3","","","- C18 H33 Au Cl3 P -","- C18 H33 Au Cl3 P -","- C144 H264 Au8 Cl24 P8 -","8","1","","Thomas S. Teets; Daniel G. Nocera","Halogen Photoreductive Elimination from Gold(III) Centers","Journal of the American Chemical Society","2009","131","","7411","7420","10.1021/ja9009937","","","0.71073","MoKα","","0.0437","0.0341","","","0.065","0.0681","","","","","","1.122","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104432","14.7919","0.0009","16.4575","0.001","9.0123","0.0005","90","","90","","90","","2193.9","0.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","PCy3AuBr3","","","- C18 H33 Au Br3 P -","- C18 H33 Au Br3 P -","- C72 H132 Au4 Br12 P4 -","4","0.5","","Thomas S. Teets; Daniel G. Nocera","Halogen Photoreductive Elimination from Gold(III) Centers","Journal of the American Chemical Society","2009","131","","7411","7420","10.1021/ja9009937","","","0.71073","MoKα","","0.0295","0.0224","","","0.0474","0.0501","","","","","","1.05","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104433","25.9305","0.0012","5.0875","0.0003","14.8171","0.0008","90","","119.549","0.001","90","","1700.45","0.16","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- As F10 N S Xe -","- As F10 N S Xe -","- As8 F80 N8 S8 Xe8 -","8","1","","Gregory L. Smith; Hélène P. A. Mercier; Gary J. Schrobilgen","Solid-State and Solution Rearrangements of F3S\τbNXeF+ Leading to the F4S=NXe+ Cation; Syntheses, HF Solvolyses, and Structural Characterizations of [F4S=NXe][AsF6] and [F4S=NH2][AsF6]","Journal of the American Chemical Society","2009","131","","7272","7286","10.1021/ja901187n","","","0.71073","MoKα","","0.0265","0.0224","","","0.0509","0.0524","","","","","","1.081","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104434","5.4447","0.0006","6.6457","0.0007","10.3063","0.0011","89.484","0.009","87.479","0.007","74.955","0.007","359.79","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","F4 S N H2, As F6","","","- As F10 H2 N S -","- As F10 H2 N S -","- As2 F20 H4 N2 S2 -","2","1","","Gregory L. Smith; Hélène P. A. Mercier; Gary J. Schrobilgen","Solid-State and Solution Rearrangements of F3S\τbNXeF+ Leading to the F4S=NXe+ Cation; Syntheses, HF Solvolyses, and Structural Characterizations of [F4S=NXe][AsF6] and [F4S=NH2][AsF6]","Journal of the American Chemical Society","2009","131","","7272","7286","10.1021/ja901187n","","","0.71073","MoKα","","0.1335","0.0855","","","0.1623","0.1725","","","","","","1.418","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104435","13.653","0.004","14.23","0.004","17.518","0.005","77.44","0.004","86.604","0.004","89.381","0.004","3316.1","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H59 F3 I N O12 P4 -","- C67 H59 F3 I N O12 P4 -","- C134 H118 F6 I2 N2 O24 P8 -","2","1","","Elisa Biavardi; Maria Favazza; Alessandro Motta; Ignazio L. Fragalà; Chiara Massera; Luca Prodi; Marco Montalti; Monica Melegari; Guglielmo G. Condorelli; Enrico Dalcanale","Molecular Recognition on a Cavitand-Functionalized Silicon Surface","Journal of the American Chemical Society","2009","131","","7447","7455","10.1021/ja901678b","","","0.71073","MoKα","","0.0631","0.0468","","","0.1403","0.142","","","","","","1.029","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104436","15.313","0.003","16.539","0.004","16.677","0.004","67.754","0.004","68.076","0.004","85.881","0.004","3614.6","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H82 I N O16 P4 -","- C64 H64 I N O13 P4 -","- C128 H128 I2 N2 O26 P8 -","2","1","","Elisa Biavardi; Maria Favazza; Alessandro Motta; Ignazio L. Fragalà; Chiara Massera; Luca Prodi; Marco Montalti; Monica Melegari; Guglielmo G. Condorelli; Enrico Dalcanale","Molecular Recognition on a Cavitand-Functionalized Silicon Surface","Journal of the American Chemical Society","2009","131","","7447","7455","10.1021/ja901678b","","","0.71069","MoKα","","0.1207","0.0751","","","0.1825","0.1958","","","","","","1.011","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104437","14.141","0.004","14.141","0.004","11.289","0.004","90","","90","","90","","2257.4","1.2","100","2","100","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C11 H20 O3 -","- C11 H20 O3 -","- C88 H160 O24 -","8","1","","Giuditta Guazzelli; Sara De Grazia; Karl D. Collins; Hiroshi Matsubara; Malcolm Spain; David J. Procter","Selective Reductions of Cyclic 1,3-Diesters Using SmI2 and H2O","Journal of the American Chemical Society","2009","131","","7214","7215","10.1021/ja901715d","","","0.71073","MoKα","","0.1013","0.0701","","","0.1745","0.1895","","","","","","1.056","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104438","3.8933","0.0001","46.6322","0.0006","5.7018","0.0001","90","","91.017","0.001","90","","1035.02","0.03","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","","Shi-Yao Yang; Panče Naumov; Shunichi Fukuzumi","Topochemical Limits for Solid-State Photoreactivity by Fine Tuning of the π-π Interactions","Journal of the American Chemical Society","2009","131","","7247","7249","10.1021/ja902094b","","","0.71073","MoKα","","0.0652","0.0518","","","0.1441","0.1598","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104439","3.8085","0.0002","46.6731","0.0019","5.9322","0.0003","90","","91.53","0.003","90","","1054.1","0.09","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O4 -","- C11.88 H9.9 O3.96 -","- C47.52 H39.6 O15.84 -","4","1","","Shi-Yao Yang; Panče Naumov; Shunichi Fukuzumi","Topochemical Limits for Solid-State Photoreactivity by Fine Tuning of the π-π Interactions","Journal of the American Chemical Society","2009","131","","7247","7249","10.1021/ja902094b","","","0.71073","MoKα","","0.1695","0.1515","","","0.4865","0.5001","","","","","","2.367","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104440","3.876","0.0016","22.776","0.01","5.892","0.003","90","","91.571","0.007","90","","519.9","0.4","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C24 H20 O8 -","2","0.5","","Shi-Yao Yang; Panče Naumov; Shunichi Fukuzumi","Topochemical Limits for Solid-State Photoreactivity by Fine Tuning of the π-π Interactions","Journal of the American Chemical Society","2009","131","","7247","7249","10.1021/ja902094b","","","0.71073","MoKα","","0.0909","0.0616","","","0.1782","0.2032","","","","","","1.055","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104441","3.8266","0.0002","23.0145","0.0009","5.9776","0.0002","90","","91.777","0.003","90","","526.18","0.04","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C24 H20 O8 -","2","0.5","","Shi-Yao Yang; Panče Naumov; Shunichi Fukuzumi","Topochemical Limits for Solid-State Photoreactivity by Fine Tuning of the π-π Interactions","Journal of the American Chemical Society","2009","131","","7247","7249","10.1021/ja902094b","","","0.71073","MoKα","","0.1477","0.083","","","0.2817","0.3529","","","","","","1.059","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104442","24.7573","0.0011","5.6223","0.0002","3.8806","0.0002","90","","90","","90","","540.15","0.04","296","2","296","2","","","","","","","","3","P m a 2","P 2 -2a","28","","","","- C12 H12 O5 -","- C12 H12 O5 -","- C24 H24 O10 -","2","0.5","","Shi-Yao Yang; Panče Naumov; Shunichi Fukuzumi","Topochemical Limits for Solid-State Photoreactivity by Fine Tuning of the π-π Interactions","Journal of the American Chemical Society","2009","131","","7247","7249","10.1021/ja902094b","","","0.71073","MoKα","","0.0344","0.0297","","","0.0711","0.0742","","","","","","1.085","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104443","4.0165","0.0002","29.8961","0.0012","6.2402","0.0003","90","","90.084","0.004","90","","749.31","0.06","173","2","173","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C16 H18 O6 -","- C16 H18 O6 -","- C32 H36 O12 -","2","0.5","","Shi-Yao Yang; Panče Naumov; Shunichi Fukuzumi","Topochemical Limits for Solid-State Photoreactivity by Fine Tuning of the π-π Interactions","Journal of the American Chemical Society","2009","131","","7247","7249","10.1021/ja902094b","","","0.71073","MoKα","","0.0654","0.0383","","","0.0849","0.0919","","","","","","0.958","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104444","16.2402","0.0019","15.7995","0.0019","12.7087","0.0015","90","","125.498","0.001","90","","2654.8","0.5","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 O5 -","- C14 H14 O5 -","- C112 H112 O40 -","8","1","","Shi-Yao Yang; Panče Naumov; Shunichi Fukuzumi","Topochemical Limits for Solid-State Photoreactivity by Fine Tuning of the π-π Interactions","Journal of the American Chemical Society","2009","131","","7247","7249","10.1021/ja902094b","","","0.71073","MoKα","","0.0672","0.0473","","","0.1452","0.1705","","","","","","1.043","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104445","7.5745","0.0015","3.8768","0.0008","28.671","0.006","90","","92.45","0.03","90","","841.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 O3 -","- C10 H8 O3 -","- C40 H32 O12 -","4","1","","Shi-Yao Yang; Panče Naumov; Shunichi Fukuzumi","Topochemical Limits for Solid-State Photoreactivity by Fine Tuning of the π-π Interactions","Journal of the American Chemical Society","2009","131","","7247","7249","10.1021/ja902094b","","","0.71073","MoKα","","0.0578","0.0437","","","0.1136","0.1259","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104446","10.934","0.002","14.085","0.003","18.36","0.004","68.08","0.03","76.48","0.03","76.01","0.03","2512.8","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","5,20-diphenyl-10,15-ditolyl-2-oksa-3-okso-21 -diphenylphosphoryloporhyrinato copper(II) dichloromathane disolvate","","- C60 H44 Cl4 Cu N3 O3 P -","- C60 H44 Cl4 Cu N3 O3 P -","- C120 H88 Cl8 Cu2 N6 O6 P2 -","2","1","","Norbert Grzegorzek; Miłosz Pawlicki; Ludmiła Szterenberg; Lechosław Latos-Grażyński","Organocopper(II) Complex of 21-Diphenylphosphoryl-Carbaporpholactone Hybrid: A Side-On Coordination Mode of Copper(II)","Journal of the American Chemical Society","2009","131","","7224","7225","10.1021/ja902310n","","","0.71073","MoKα","","0.0961","0.0552","","","0.1109","0.1225","","","","","","1.054","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104447","16.573","0.003","18.521","0.004","19.981","0.004","105.37","0.03","90.18","0.03","94.18","0.03","5896","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H54 Cl3 N3 O3.5 P -","- C63 H54 Cl3 N3 O3.5 P -","- C252 H216 Cl12 N12 O14 P4 -","4","2","","Norbert Grzegorzek; Miłosz Pawlicki; Ludmiła Szterenberg; Lechosław Latos-Grażyński","Organocopper(II) Complex of 21-Diphenylphosphoryl-Carbaporpholactone Hybrid: A Side-On Coordination Mode of Copper(II)","Journal of the American Chemical Society","2009","131","","7224","7225","10.1021/ja902310n","","","0.71073","MoKα","","0.1566","0.0977","","","0.259","0.2938","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104448","11.0868","0.0016","10.1911","0.0014","13.851","0.002","90","","102.926","0.005","90","","1525.3","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H33 Cl2 N3 Ni O3 -","- C34 H33 Cl2 N3 Ni O3 -","- C68 H66 Cl4 N6 Ni2 O6 -","2","1","","Vadim A. Soloshonok; Trevor K. Ellis; Hisanori Ueki; Taizo Ono","Resolution/Deracemization of Chiral α-Amino Acids Using Resolving Reagents with Flexible Stereogenic Centers","Journal of the American Chemical Society","2009","131","","7208","7209","10.1021/ja9026055","","","0.71073","MoKα","","0.042","0.0405","","","0.1102","0.1117","","","","","","1.002","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104449","23.999","0.004","8.8743","0.0016","18.269","0.003","90","","121.612","0.005","90","","3313.5","1","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C35 H37 Cl2 N3 Ni O4 -","- C34 H33 Cl2 N3 Ni O3 -","- C136 H132 Cl8 N12 Ni4 O12 -","4","1","","Vadim A. Soloshonok; Trevor K. Ellis; Hisanori Ueki; Taizo Ono","Resolution/Deracemization of Chiral α-Amino Acids Using Resolving Reagents with Flexible Stereogenic Centers","Journal of the American Chemical Society","2009","131","","7208","7209","10.1021/ja9026055","","","0.71073","MoKα","","0.0642","0.0546","","","0.1462","0.1525","","","","","","1.037","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104450","9.8982","0.0012","12.9223","0.0016","21.547","0.002","90","","90","","90","","2756","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 N4 Ni O3 -","- C28 H29 N3 Ni O3 -","- C112 H116 N12 Ni4 O12 -","4","1","","Vadim A. Soloshonok; Trevor K. Ellis; Hisanori Ueki; Taizo Ono","Resolution/Deracemization of Chiral α-Amino Acids Using Resolving Reagents with Flexible Stereogenic Centers","Journal of the American Chemical Society","2009","131","","7208","7209","10.1021/ja9026055","","","0.71073","MoKα","","0.0233","0.0229","","","0.0598","0.06","","","","","","1.003","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104451","10.3867","0.0016","8.1085","0.0012","17.113","0.002","90","","95.665","0.005","90","","1434.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H33 N3 Ni O3 -","- C34 H33 N3 Ni O3 -","- C68 H66 N6 Ni2 O6 -","2","1","","Vadim A. Soloshonok; Trevor K. Ellis; Hisanori Ueki; Taizo Ono","Resolution/Deracemization of Chiral α-Amino Acids Using Resolving Reagents with Flexible Stereogenic Centers","Journal of the American Chemical Society","2009","131","","7208","7209","10.1021/ja9026055","","","0.71073","MoKα","","0.027","0.0264","","","0.0694","0.0701","","","","","","1.009","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104452","10.1519","0.0014","9.4117","0.0012","13.988","0.002","90","","107.886","0.005","90","","1271.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H33 N3 Ni O3 -","- C30 H33 N3 Ni O3 -","- C60 H66 N6 Ni2 O6 -","2","1","","Vadim A. Soloshonok; Trevor K. Ellis; Hisanori Ueki; Taizo Ono","Resolution/Deracemization of Chiral α-Amino Acids Using Resolving Reagents with Flexible Stereogenic Centers","Journal of the American Chemical Society","2009","131","","7208","7209","10.1021/ja9026055","","","0.71073","MoKα","","0.0269","0.0262","","","0.0668","0.0673","","","","","","1.006","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104453","10.0845","0.0018","10.515","0.002","26.97","0.005","90","","90","","90","","2859.9","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 Cl2 N3 Ni O3 -","- C31 H35 Cl2 N3 Ni O3 -","- C124 H140 Cl8 N12 Ni4 O12 -","4","1","","Vadim A. Soloshonok; Trevor K. Ellis; Hisanori Ueki; Taizo Ono","Resolution/Deracemization of Chiral α-Amino Acids Using Resolving Reagents with Flexible Stereogenic Centers","Journal of the American Chemical Society","2009","131","","7208","7209","10.1021/ja9026055","","","0.71073","MoKα","","0.0353","0.0325","","","0.0824","0.084","","","","","","1.01","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104454","10.453","0.002","9.1137","0.0016","13.473","0.002","90","","97.062","0.005","90","","1273.8","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H31 N3 Ni O3 -","- C29 H31 N3 Ni O3 -","- C58 H62 N6 Ni2 O6 -","2","1","","Vadim A. Soloshonok; Trevor K. Ellis; Hisanori Ueki; Taizo Ono","Resolution/Deracemization of Chiral α-Amino Acids Using Resolving Reagents with Flexible Stereogenic Centers","Journal of the American Chemical Society","2009","131","","7208","7209","10.1021/ja9026055","","","0.71073","MoKα","","0.0283","0.0273","","","0.0675","0.0681","","","","","","1.026","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104455","11.4816","0.0007","20.3721","0.0013","12.4196","0.0008","90","","115.692","0.001","90","","2617.8","0.3","193","2","193","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C60 H58 F3 Ir N O5 P S -","- C60 H58 F3 Ir N O5 P S -","- C120 H116 F6 Ir2 N2 O10 P2 S2 -","2","1","","Sherzod T. Madrahimov; Dean Markovic; John F. Hartwig","The Allyl Intermediate in Regioselective and Enantioselective Iridium-Catalyzed Asymmetric Allylic Substitution Reactions","Journal of the American Chemical Society","2009","131","","7228","7229","10.1021/ja902609g","","","0.71073","MoKα","","0.0224","0.0197","","","0.0468","0.0479","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4104456","11.84","0.005","20.679","0.009","12.619","0.006","90","","117.75","0.006","90","","2734","2","193","2","193","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C60 H60 F6 Ir N O2 P Sb -","- C60 H60 F6 Ir N O2 P Sb -","- C120 H120 F12 Ir2 N2 O4 P2 Sb2 -","2","1","","Sherzod T. Madrahimov; Dean Markovic; John F. Hartwig","The Allyl Intermediate in Regioselective and Enantioselective Iridium-Catalyzed Asymmetric Allylic Substitution Reactions","Journal of the American Chemical Society","2009","131","","7228","7229","10.1021/ja902609g","","","0.71073","MoKα","","0.0766","0.0492","","","0.1158","0.1208","","","","","","0.906","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4104457","8.8617","0.0005","20.047","0.0008","9.7565","0.0004","90","","112.839","0.006","90","","1597.36","0.15","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","HLSi(OH)-Ni(CO)3","","","- C32 H42 N2 Ni O4 Si -","- C32 H42 N2 Ni O4 Si -","- C64 H84 N4 Ni2 O8 Si2 -","2","0.5","","Antje Meltzer; Carsten Präsang; Matthias Driess","Diketiminate Silicon(II) and Related NHSi Ligands Generated in the Coordination Sphere of Nickel(0)","Journal of the American Chemical Society","2009","131","","7232","7233","10.1021/ja9026727","","","0.71073","MoKα","","0.0803","0.0425","","","0.0895","0.0971","","","","","","0.899","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104458","10.8132","0.0003","11.6057","0.0003","17.4222","0.0005","105.188","0.003","98.328","0.002","107.146","0.003","1956.91","0.11","173","2","173","2","","","","","","","","8","P -1","-P 1","2","HLSi(OTf)-Ni(CO)3*1/2hexane","","","- C36 H48 F3 N2 Ni O6 S Si -","- C36 H48 F3 N2 Ni O6 S Si -","- C72 H96 F6 N4 Ni2 O12 S2 Si2 -","2","1","","Antje Meltzer; Carsten Präsang; Matthias Driess","Diketiminate Silicon(II) and Related NHSi Ligands Generated in the Coordination Sphere of Nickel(0)","Journal of the American Chemical Society","2009","131","","7232","7233","10.1021/ja9026727","","","0.71073","MoKα","","0.0523","0.0364","","","0.0791","0.0836","","","","","","1.016","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104459","14.6855","0.0003","20.2466","0.0007","20.5691","0.0007","64.292","0.003","71.71","0.003","87.14","0.002","5205.4","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","(C6F5)3B-LSi=Ni(CO)3 * 1/2 toluene","","","- C107 H88 B2 F30 N4 Ni2 O6 Si2 -","- C107 H88 B2 F30 N4 Ni2 O6 Si2 -","- C214 H176 B4 F60 N8 Ni4 O12 Si4 -","2","1","","Antje Meltzer; Carsten Präsang; Matthias Driess","Diketiminate Silicon(II) and Related NHSi Ligands Generated in the Coordination Sphere of Nickel(0)","Journal of the American Chemical Society","2009","131","","7232","7233","10.1021/ja9026727","","","0.71073","MoKα","","0.1135","0.0603","","","0.1148","0.1271","","","","","","1.073","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104460","14.182","0.004","20.088","0.006","28.868","0.009","90","","96.456","0.006","90","","8172","4","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H88 N4 O20 Rh2 -","- C60 H64 N4 O18 Rh2 -","- C240 H256 N16 O72 Rh8 -","4","2","","Andrew DeAngelis; Olga Dmitrenko; Glenn P. A. Yap; Joseph M. Fox","Chiral Crown Conformation of Rh2(S-PTTL)4: Enantioselective Cyclopropanation with α-Alkyl-α-diazoesters","Journal of the American Chemical Society","2009","131","","7230","7231","10.1021/ja9026852","","","0.71073","MoKα","","0.1229","0.0718","","","0.1053","0.1173","","","","","","1.02","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104461","11.961","0.004","5.5326","0.0019","15.785","0.005","90","","109.747","0.005","90","","983.2","0.6","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C46 H50 N2 O6 -","2","1","","Andrew DeAngelis; Olga Dmitrenko; Glenn P. A. Yap; Joseph M. Fox","Chiral Crown Conformation of Rh2(S-PTTL)4: Enantioselective Cyclopropanation with α-Alkyl-α-diazoesters","Journal of the American Chemical Society","2009","131","","7230","7231","10.1021/ja9026852","","","0.71073","MoKα","","0.043","0.0374","","","0.1015","0.1123","","","","","","1.048","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104462","8.25","0.0009","9.685","0.0009","21.036","0.0013","96.373","0.005","98.346","0.006","101.48","0.003","1612.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H37 I N4 Pt2 Si -","- C29 H37 I N4 Pt2 Si -","- C58 H74 I2 N8 Pt4 Si2 -","2","1","","Allan J. Canty; Michael G. Gardiner; Roderick C. Jones; Thomas Rodemann; Manab Sharma","Binuclear Intermediates in Oxidation Reactions: [(Me3SiC\τbC)Me2(bipy)Pt-PtMe2(bipy)]+ in the Oxidation of PtIIMe2(bipy) (bipy = 2,2'-Bipyridine) by IPh(C\τbCSiMe3)(OTf) (OTf = Triflate)","Journal of the American Chemical Society","2009","131","","7236","7237","10.1021/ja902799u","","","0.77487","Synchrotron","","0.0301","0.0296","","","0.0787","0.0791","","","","","","1.065","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104463","9.193","0.007","25.117","0.019","16.256","0.013","90","0.004","94.053","0.004","90","0.004","3744","5","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 N O2 P2 Ru -","- C45 H39 N O2 P2 Ru -","- C180 H156 N4 O8 P8 Ru4 -","4","1","","Tetsuro Koreeda; Takuya Kochi; Fumitoshi Kakiuchi","Cleavage of C-N Bonds in Aniline Derivatives on a Ruthenium Center and Its Relevance to Catalytic C-C Bond Formation","Journal of the American Chemical Society","2009","131","","7238","7239","10.1021/ja902829p","","","0.7107","MoKα","","0.0349","0.0306","","","0.069","0.0715","","","","","","1.13","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104464","10.564","0.004","19.327","0.007","18.127","0.007","90","0.0014","104.733","0.0016","90","0.0014","3579","2","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H42 N O3 P Ru -","- C41 H42 N O3 P Ru -","- C164 H168 N4 O12 P4 Ru4 -","4","1","","Tetsuro Koreeda; Takuya Kochi; Fumitoshi Kakiuchi","Cleavage of C-N Bonds in Aniline Derivatives on a Ruthenium Center and Its Relevance to Catalytic C-C Bond Formation","Journal of the American Chemical Society","2009","131","","7238","7239","10.1021/ja902829p","","","0.7107","MoKα","","0.0427","0.0393","","","0.0949","0.0977","","","","","","1.098","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104465","10.724","0.003","18.588","0.006","18.785","0.006","90","","102.085","0.003","90","","3662","2","93.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 N O3 P Ru -","- C42 H44 N O3 P Ru -","- C168 H176 N4 O12 P4 Ru4 -","4","1","","Tetsuro Koreeda; Takuya Kochi; Fumitoshi Kakiuchi","Cleavage of C-N Bonds in Aniline Derivatives on a Ruthenium Center and Its Relevance to Catalytic C-C Bond Formation","Journal of the American Chemical Society","2009","131","","7238","7239","10.1021/ja902829p","","","0.71075","MoKα","","","0.0364","","","","0.0917","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104466","14.19","0.03","14.83","0.03","17.49","0.04","71.79","0.07","88.1","0.09","67.33","0.09","3210","12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H29 F29 N6 O -","- C72 H29 F29 N6 O -","- C144 H58 F58 N12 O2 -","2","1","","Sumito Tokuji; Jae-Yoon Shin; Kil Suk Kim; Jong Min Lim; Katsuyuki Youfu; Shohei Saito; Dongho Kim; Atsuhiro Osuka","Facile Formation of a Benzopyrane-Fused [28]Hexaphyrin That Exhibits Distinct Möbius Aromaticity","Journal of the American Chemical Society","2009","131","","7240","7241","10.1021/ja902836x","","","0.71075","MoKα","","0.1401","0.1057","","","0.2693","0.3035","","","","","","1.029","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104467","7.4202","0.0008","10.7636","0.0011","19.946","0.002","90","","90","","90","","1593","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 B O4 -","- C16 H25 B O4 -","- C64 H100 B4 O16 -","4","1","","Kang-sang Lee; Adil R. Zhugralin; Amir H. Hoveyda","Efficient C-B Bond Formation Promoted by N-Heterocyclic Carbenes: Synthesis of Tertiary and Quaternary B-Substituted Carbons through Metal-Free Catalytic Boron Conjugate Additions to Cyclic and Acyclic α,β-Unsaturated Carbonyls","Journal of the American Chemical Society","2009","131","","7253","7255","10.1021/ja902889s","","","0.71073","MoKα","","0.0406","0.0377","","","0.0938","0.096","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104468","5.9436","0.0008","16.888","0.002","17.475","0.002","90","","93.841","0.002","90","","1750.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 B O4 -","- C19 H27 B O4 -","- C76 H108 B4 O16 -","4","1","","Kang-sang Lee; Adil R. Zhugralin; Amir H. Hoveyda","Efficient C-B Bond Formation Promoted by N-Heterocyclic Carbenes: Synthesis of Tertiary and Quaternary B-Substituted Carbons through Metal-Free Catalytic Boron Conjugate Additions to Cyclic and Acyclic α,β-Unsaturated Carbonyls","Journal of the American Chemical Society","2009","131","","7253","7255","10.1021/ja902889s","","","0.71073","MoKα","","0.0468","0.0417","","","0.106","0.1104","","","","","","1.041","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104469","12.509","0.003","32.442","0.007","9.963","0.002","90","","108.603","0.003","90","","3831.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 B Br O4 -","- C19 H26 B Br O4 -","- C152 H208 B8 Br8 O32 -","8","2","","Kang-sang Lee; Adil R. Zhugralin; Amir H. Hoveyda","Efficient C-B Bond Formation Promoted by N-Heterocyclic Carbenes: Synthesis of Tertiary and Quaternary B-Substituted Carbons through Metal-Free Catalytic Boron Conjugate Additions to Cyclic and Acyclic α,β-Unsaturated Carbonyls","Journal of the American Chemical Society","2009","131","","7253","7255","10.1021/ja902889s","","","0.71073","MoKα","","0.0432","0.0323","","","0.073","0.0777","","","","","","1.033","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104470","12.399","0.002","32.215","0.005","9.9188","0.0017","90","","109.176","0.002","90","","3742.1","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 B Cl O4 -","- C19 H26 B Cl O4 -","- C152 H208 B8 Cl8 O32 -","8","2","","Kang-sang Lee; Adil R. Zhugralin; Amir H. Hoveyda","Efficient C-B Bond Formation Promoted by N-Heterocyclic Carbenes: Synthesis of Tertiary and Quaternary B-Substituted Carbons through Metal-Free Catalytic Boron Conjugate Additions to Cyclic and Acyclic α,β-Unsaturated Carbonyls","Journal of the American Chemical Society","2009","131","","7253","7255","10.1021/ja902889s","","","0.71073","MoKα","","0.0741","0.0481","","","0.0957","0.1048","","","","","","1.046","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104471","11.322","0.002","19.295","0.003","11.91","0.002","90","","111.634","0.004","90","","2418.6","0.7","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H54 Cl N4 O3 P -","- C58 H54 Cl N4 O3 P -","- C116 H108 Cl2 N8 O6 P2 -","2","1","","Daisuke Uraguchi; Daisuke Nakashima; Takashi Ooi","Chiral Arylaminophosphonium Barfates as a New Class of Charged Brønsted Acid for the Enantioselective Activation of Nonionic Lewis Bases","Journal of the American Chemical Society","2009","131","","7242","7243","10.1021/ja903271t","","","0.71073","MoKα","","0.0482","0.0443","","","0.1118","0.1151","","","","","","1.038","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104472","10.383","0.003","21.787","0.006","25.368","0.006","90","","90","","90","","5739","3","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H66 Cl N4 O4 P -","- C66 H66 Cl N4 O4 P -","- C264 H264 Cl4 N16 O16 P4 -","4","1","","Daisuke Uraguchi; Daisuke Nakashima; Takashi Ooi","Chiral Arylaminophosphonium Barfates as a New Class of Charged Brønsted Acid for the Enantioselective Activation of Nonionic Lewis Bases","Journal of the American Chemical Society","2009","131","","7242","7243","10.1021/ja903271t","","","0.71073","MoKα","","0.0911","0.0602","","","0.1362","0.1524","","","","","","1.023","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104473","27.1026","0.0003","27.1026","0.0003","12.2397","0.0004","90","","90","","90","","8990.7","0.3","20","2","20","2","","","","","","","","5","I -4","I -4","82","","","","- C55.96 H47.56 Cl8.28 Co4 N16 -","- C55.9607 H47.5573 Cl8.28533 Co4 N16 -","- C335.764 H285.344 Cl49.712 Co24 N96 -","6","0.75","","Rasmus D. Poulsen; Jacob Overgaard; Alexander Schulman; Christina Østergaard; Carlos A. Murillo; Mark A. Spackman; Bo B. Iversen","Effects of Weak Intermolecular Interactions on the Molecular Isomerism of Tricobalt Metal Chains","Journal of the American Chemical Society","2009","131","","7580","7591","10.1021/ja8091032","","","0.643","","","0.0678","0.0524","","","0.1337","0.1401","","","","","","1.043","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104474","27.2473","0.0003","27.2473","0.0003","12.257","0.0003","90","","90","","90","","9099.8","0.3","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C56.1 H47.49 Cl8.19 Co4 N16 -","- C56.0853 H47.4667 Cl8.17067 Co4 N16 -","- C336.512 H284.8 Cl49.024 Co24 N96 -","6","0.75","","Rasmus D. Poulsen; Jacob Overgaard; Alexander Schulman; Christina Østergaard; Carlos A. Murillo; Mark A. Spackman; Bo B. Iversen","Effects of Weak Intermolecular Interactions on the Molecular Isomerism of Tricobalt Metal Chains","Journal of the American Chemical Society","2009","131","","7580","7591","10.1021/ja8091032","","","0.643","","","0.0767","0.0578","","","0.1439","0.1522","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104475","27.483","0.012","27.483","0.012","12.376","0.007","90","","90","","90","","9348","8","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C42.25 H35.75 Cl6.5 Co3 N12 -","- C42.1685 H35.684 Cl6.337 Co3 N12 -","- C337.348 H285.472 Cl50.696 Co24 N96 -","8","1","","Rasmus D. Poulsen; Jacob Overgaard; Alexander Schulman; Christina Østergaard; Carlos A. Murillo; Mark A. Spackman; Bo B. Iversen","Effects of Weak Intermolecular Interactions on the Molecular Isomerism of Tricobalt Metal Chains","Journal of the American Chemical Society","2009","131","","7580","7591","10.1021/ja8091032","","","0.643","","","0.092","0.0637","","","0.1666","0.1854","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104476","27.132","0.003","27.132","0.003","12.201","0.002","90","","90","","90","","8982","2","100","1","","","","","","","","","","5","I -4","I -4","82","","","","- C42.11 H35.7 Cl6.21 Co3 N12 -","- C42.1055 H35.702 Cl6.2109 Co3 N12 -","- C336.844 H285.616 Cl49.6872 Co24 N96 -","8","1","","Rasmus D. Poulsen; Jacob Overgaard; Alexander Schulman; Christina Østergaard; Carlos A. Murillo; Mark A. Spackman; Bo B. Iversen","Effects of Weak Intermolecular Interactions on the Molecular Isomerism of Tricobalt Metal Chains","Journal of the American Chemical Society","2009","131","","7580","7591","10.1021/ja8091032","","","0.71073","MoKα","","0.043","0.031","","","","0.055","","","","","","1.316","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104477","28.692","0.007","13.346","0.004","21.297","0.006","90","","93.17","0.009","90","","8143","4","298.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C46 H46 Zr -","- C46 H37 Zr -","- C368 H296 Zr8 -","8","1","","Shenyong Ren; Eri Igarashi; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Coupling of the R-Cp or Indenyl Ligand with the Diene Moiety of Bis(substituted cyclopentadienyl)- or Bis(indenyl)zirconacyclopentadienes","Journal of the American Chemical Society","2009","131","","7492","7493","10.1021/ja809401s","","","0.71075","MoKα","","","0.0742","","","","0.2623","","","","","","0.978","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104478","16.843","0.004","12.551","0.004","18.114","0.007","90","","97.89","0.05","90","","3793","2","298.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 Zr -","- C50 H42 Zr -","- C200 H168 Zr4 -","4","1","","Shenyong Ren; Eri Igarashi; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Coupling of the R-Cp or Indenyl Ligand with the Diene Moiety of Bis(substituted cyclopentadienyl)- or Bis(indenyl)zirconacyclopentadienes","Journal of the American Chemical Society","2009","131","","7492","7493","10.1021/ja809401s","","","0.7107","MoKα","","","0.0493","","","","0.0596","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104479","16.692","0.0006","15.0251","0.0006","17.9256","0.0006","90","","90","","90","","4495.7","0.3","298.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H28 N4 -","- C27 H28 N4 -","- C216 H224 N32 -","8","1","","Shenyong Ren; Eri Igarashi; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Coupling of the R-Cp or Indenyl Ligand with the Diene Moiety of Bis(substituted cyclopentadienyl)- or Bis(indenyl)zirconacyclopentadienes","Journal of the American Chemical Society","2009","131","","7492","7493","10.1021/ja809401s","","","0.71075","MoKα","","","0.0714","","","","0.0682","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104480","11.7432","0.0002","11.5531","0.0004","22.8714","0.0009","90","","90","","90","","3102.97","0.17","150","1","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H24 Br N P2 Si -","- C8 H24 Br N P2 Si -","- C64 H192 Br8 N8 P16 Si8 -","8","1","","Keith Huynh; Alan J. Lough; Michelle A. M. Forgeron; Martin Bendle; Alejandro Presa Soto; Roderick E. Wasylishen; Ian Manners","Synthesis and Reactivity of Phosphine-Stabilized Phosphoranimine Cations, [R3P.PR'2=NSiMe3]+","Journal of the American Chemical Society","2009","131","","7905","7916","10.1021/ja900256g","","","0.71073","MoKα","","0.0704","0.0395","","","0.0859","0.0983","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104481","14.0798","0.0007","17.0889","0.0008","18.0705","0.0006","118.17","0.002","104.297","0.003","90.164","0.002","3677.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H30 Br N P2 Si -","- C11 H29.75 Br N P2 Si -","- C88 H238 Br8 N8 P16 Si8 -","8","4","","Keith Huynh; Alan J. Lough; Michelle A. M. Forgeron; Martin Bendle; Alejandro Presa Soto; Roderick E. Wasylishen; Ian Manners","Synthesis and Reactivity of Phosphine-Stabilized Phosphoranimine Cations, [R3P.PR'2=NSiMe3]+","Journal of the American Chemical Society","2009","131","","7905","7916","10.1021/ja900256g","","","0.71073","MoKα","","0.1966","0.1478","","","0.4397","0.4493","","","","","","2.564","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104482","12.4326","0.0002","28.4196","0.0007","36.7682","0.0009","90","","90","","90","","12991.3","0.5","150","1","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C12 H30 F3 N O3 P2 S Si -","- C12 H30 F3 N O3 P2 S Si -","- C288 H720 F72 N24 O72 P48 S24 Si24 -","24","3","","Keith Huynh; Alan J. Lough; Michelle A. M. Forgeron; Martin Bendle; Alejandro Presa Soto; Roderick E. Wasylishen; Ian Manners","Synthesis and Reactivity of Phosphine-Stabilized Phosphoranimine Cations, [R3P.PR'2=NSiMe3]+","Journal of the American Chemical Society","2009","131","","7905","7916","10.1021/ja900256g","","","0.71073","MoKα","","0.1022","0.053","","","0.1115","0.1303","","","","","","1.014","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104483","14.9772","0.0008","10.9378","0.0004","11.6076","0.0011","90","","102.029","0.002","90","","1859.8","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H29 Br N P3 Si -","- C10 H29 Br N P3 Si -","- C40 H116 Br4 N4 P12 Si4 -","4","1","","Keith Huynh; Alan J. Lough; Michelle A. M. Forgeron; Martin Bendle; Alejandro Presa Soto; Roderick E. Wasylishen; Ian Manners","Synthesis and Reactivity of Phosphine-Stabilized Phosphoranimine Cations, [R3P.PR'2=NSiMe3]+","Journal of the American Chemical Society","2009","131","","7905","7916","10.1021/ja900256g","","","0.71073","MoKα","","0.0883","0.0653","","","0.1775","0.1962","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104484","16.0802","0.0005","9.2065","0.0003","15.4421","0.0003","90","","111.208","0.002","90","","2131.26","0.11","150","1","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 Br F6 N O2 P2 Si -","- C10 H22 Br F6 N O2 P2 Si -","- C40 H88 Br4 F24 N4 O8 P8 Si4 -","4","1","","Keith Huynh; Alan J. Lough; Michelle A. M. Forgeron; Martin Bendle; Alejandro Presa Soto; Roderick E. Wasylishen; Ian Manners","Synthesis and Reactivity of Phosphine-Stabilized Phosphoranimine Cations, [R3P.PR'2=NSiMe3]+","Journal of the American Chemical Society","2009","131","","7905","7916","10.1021/ja900256g","","","0.71073","MoKα","","0.0777","0.0436","","","0.1037","0.1284","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104485","17.6985","0.0016","7.5122","0.0004","17.6621","0.0015","90","","93.383","0.003","90","","2344.2","0.3","150","1","150","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C13 H28 Br F6 N O2 P2 Si -","- C13 H28 Br F6 N O2 P2 Si -","- C52 H112 Br4 F24 N4 O8 P8 Si4 -","4","1","","Keith Huynh; Alan J. Lough; Michelle A. M. Forgeron; Martin Bendle; Alejandro Presa Soto; Roderick E. Wasylishen; Ian Manners","Synthesis and Reactivity of Phosphine-Stabilized Phosphoranimine Cations, [R3P.PR'2=NSiMe3]+","Journal of the American Chemical Society","2009","131","","7905","7916","10.1021/ja900256g","","","0.71073","MoKα","","0.1446","0.055","","","0.1068","0.1365","","","","","","0.944","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104486","15.7111","0.0008","15.7111","0.0008","6.4101","0.0004","90","","90","","90","","1582.26","0.15","150","1","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C8 H24 N4 P4 -","- C8 H24 N4 P4 -","- C32 H96 N16 P16 -","4","0.25","","Keith Huynh; Alan J. Lough; Michelle A. M. Forgeron; Martin Bendle; Alejandro Presa Soto; Roderick E. Wasylishen; Ian Manners","Synthesis and Reactivity of Phosphine-Stabilized Phosphoranimine Cations, [R3P.PR'2=NSiMe3]+","Journal of the American Chemical Society","2009","131","","7905","7916","10.1021/ja900256g","","","0.71073","MoKα","","0.0494","0.0354","","","0.08","0.0875","","","","","","1.07","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104487","8.94","0.005","20.345","0.011","9.707","0.005","90","","107.521","0.009","90","","1683.6","1.6","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Yasufumi Yoshino; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarboxylative Carboamination of Alkynes with Isatoic Anhydrides","Journal of the American Chemical Society","2009","131","","7494","7495","10.1021/ja900805y","","","0.71073","MoKα","","0.058","0.0498","","","0.1402","0.1478","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104488","15.276","0.002","9.5922","0.0013","24.512","0.003","90","","101.123","0.002","90","","3524.3","0.8","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 N O -","- C21 H23 N O -","- C168 H184 N8 O8 -","8","1","","Yasufumi Yoshino; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarboxylative Carboamination of Alkynes with Isatoic Anhydrides","Journal of the American Chemical Society","2009","131","","7494","7495","10.1021/ja900805y","","","0.71073","MoKα","","0.106","0.0785","","","0.222","0.2525","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104489","13.78","0.002","10.9493","0.0019","11.0724","0.0019","90","","102.445","0.003","90","","1631.4","0.5","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Yasufumi Yoshino; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarboxylative Carboamination of Alkynes with Isatoic Anhydrides","Journal of the American Chemical Society","2009","131","","7494","7495","10.1021/ja900805y","","","0.71073","MoKα","","0.0701","0.055","","","0.1651","0.1807","","","","","","0.996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104490","14.3502","0.0015","10.924","0.0012","11.3158","0.0012","90","","102.966","0.002","90","","1728.7","0.3","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O Si -","- C19 H21 N O Si -","- C76 H84 N4 O4 Si4 -","4","1","","Yasufumi Yoshino; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarboxylative Carboamination of Alkynes with Isatoic Anhydrides","Journal of the American Chemical Society","2009","131","","7494","7495","10.1021/ja900805y","","","0.71073","MoKα","","0.0546","0.0499","","","0.1455","0.1506","","","","","","1.038","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104491","10.103","0.009","17.836","0.017","12.044","0.012","90","","109.874","0.017","90","","2041","3","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O Si -","- C24 H23 N O Si -","- C96 H92 N4 O4 Si4 -","4","1","","Yasufumi Yoshino; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarboxylative Carboamination of Alkynes with Isatoic Anhydrides","Journal of the American Chemical Society","2009","131","","7494","7495","10.1021/ja900805y","","","0.71073","MoKα","","0.0669","0.0524","","","0.141","0.1537","","","","","","1.026","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104492","10.852","0.002","9.8548","0.0019","18.477","0.004","90","","104.764","0.003","90","","1910.8","0.7","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O Si -","- C21 H23 N O Si -","- C84 H92 N4 O4 Si4 -","4","1","","Yasufumi Yoshino; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarboxylative Carboamination of Alkynes with Isatoic Anhydrides","Journal of the American Chemical Society","2009","131","","7494","7495","10.1021/ja900805y","","","0.71073","MoKα","","0.0659","0.0574","","","0.173","0.1836","","","","","","1.019","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104493","8.231","0.0005","8.231","0.0005","22.399","0.003","90","","90","","120","","1314.2","0.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","catena-(Me2NH2)[Fe(HCOO)3]","catena-(dimethylammonium)-(tris(μ~2~-Formato-O,O')-iron(ii)","","- C5 H15 Fe N O6 -","- C5 H10.98 Fe N0.99 O6 -","- C30 H65.88 Fe6 N5.94 O36 -","6","0.166667","","Karl S. Hagen; Sunil G. Naik; Boi Hanh Huynh; Antonio Masello; George Christou","Intensely Colored Mixed-Valence Iron(II) Iron(III) Formate Analogue of Prussian Blue Exhibits Néel N-Type Ferrimagnetism","Journal of the American Chemical Society","2009","131","","7516","7517","10.1021/ja901093b","","x-ray","0.71073","MoKα","","0.0206","0.0199","","","0.0531","0.0535","","","","","","1.119","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104494","8.2512","0.0011","8.2512","0.0011","13.846","0.003","90","","90","","120","","816.4","0.2","173","2","173","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","catena-(Me2NH2)[Fe2(HCOO)6]","catena-(Dimethylammonium bis(μ~2~-formato-O,O')-iron(ii)-iron(iii)","","- C8 H18 Fe2 N O12 -","- C8 H13.98 Fe2 N0.99 O12 -","- C16 H27.96 Fe4 N1.98 O24 -","2","0.166667","","Karl S. Hagen; Sunil G. Naik; Boi Hanh Huynh; Antonio Masello; George Christou","Intensely Colored Mixed-Valence Iron(II) Iron(III) Formate Analogue of Prussian Blue Exhibits Néel N-Type Ferrimagnetism","Journal of the American Chemical Society","2009","131","","7516","7517","10.1021/ja901093b","","x-ray","0.71073","MoKα","","0.0305","0.0279","","","0.0747","0.0765","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104495","18.645","0.002","18.645","0.002","19.061","0.002","90","","90","","120","","5738.5","1.1","110","","110","","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","","","- C27 H52 N6 Ru Si6 -","- C27 H52 N6 Ru Si6 -","- C162 H312 N36 Ru6 Si36 -","6","0.333333","","Mary Grellier; Tahra Ayed; Jean-Claude Barthelat; Alberto Albinati; Sax Mason; Laure Vendier; Yannick Coppel; Sylviane Sabo-Etienne","Versatile Coordination of 2-Pyridinetetramethyldisilazane at Ruthenium: Ru(II) vs Ru(IV) As Evidenced by NMR, X-ray, Neutron, and DFT Studies","Journal of the American Chemical Society","2009","131","","7633","7640","10.1021/ja901140v","","","0.71073","MoKα","","0.0731","0.0361","","","0.0566","0.0632","","","","","","0.894","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104496","18.588","0.0003","18.588","0.0003","18.8361","0.0003","90","","90","","120","","5636.21","0.16","20","2","20","2","","","","","","","","5","R -3 :H","-R 3","148","Ru(H)[(SiMe2)(N-[(C5H4N)(SiMe2H)]3(PCy3)2","","","- C27 H52 N6 Ru Si6 -","- C27 H52 N6 Ru Si6 -","- C162 H312 N36 Ru6 Si36 -","6","0.333333","","Mary Grellier; Tahra Ayed; Jean-Claude Barthelat; Alberto Albinati; Sax Mason; Laure Vendier; Yannick Coppel; Sylviane Sabo-Etienne","Versatile Coordination of 2-Pyridinetetramethyldisilazane at Ruthenium: Ru(II) vs Ru(IV) As Evidenced by NMR, X-ray, Neutron, and DFT Studies","Journal of the American Chemical Society","2009","131","","7633","7640","10.1021/ja901140v","","neutron","1.16954","neutron","","0.108","0.0698","","","0.1306","0.1483","","","","","","1.119","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104497","9.831","0.002","21.651","0.004","11.917","0.002","90","","109.44","0.03","90","","2391.9","0.9","160","2","160","2","","","","","","","synthesis as described","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H86 N2 P2 Ru Si2 -","- C45 H86 N2 P2 Ru Si2 -","- C90 H172 N4 P4 Ru2 Si4 -","2","0.5","","Mary Grellier; Tahra Ayed; Jean-Claude Barthelat; Alberto Albinati; Sax Mason; Laure Vendier; Yannick Coppel; Sylviane Sabo-Etienne","Versatile Coordination of 2-Pyridinetetramethyldisilazane at Ruthenium: Ru(II) vs Ru(IV) As Evidenced by NMR, X-ray, Neutron, and DFT Studies","Journal of the American Chemical Society","2009","131","","7633","7640","10.1021/ja901140v","","","0.71073","MoKα","","0.0466","0.0403","","","0.0912","0.0953","","","","","","1.101","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104498","43.193","0.003","11.8637","0.0009","20.2109","0.0015","90","","108.446","0.001","90","","9824.5","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H66 N2 O3 W -","- C57 H65.9994 N2 O3 W -","- C456 H527.995 N16 O24 W8 -","8","1","","Annie J. Jiang; Jeffrey H. Simpson; Peter Müller; Richard R. Schrock","Fundamental Studies of Tungsten Alkylidene Imido Monoalkoxidepyrrolide Complexes","Journal of the American Chemical Society","2009","131","","7770","7780","10.1021/ja9012694","","","0.71073","MoKα","","0.039","0.0303","","","0.0667","0.07","","","","","","1.189","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104499","11.3574","0.0008","14.0541","0.001","14.9825","0.0011","81.242","0.001","81.323","0.001","80.748","0.001","2313.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H58 N2 O W -","- C57 H58 N2 O W -","- C114 H116 N4 O2 W2 -","2","1","","Annie J. Jiang; Jeffrey H. Simpson; Peter Müller; Richard R. Schrock","Fundamental Studies of Tungsten Alkylidene Imido Monoalkoxidepyrrolide Complexes","Journal of the American Chemical Society","2009","131","","7770","7780","10.1021/ja9012694","","","0.71073","MoKα","","0.0258","0.0228","","","0.0593","0.0612","","","","","","1.092","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104500","11.0794","0.0007","12.0146","0.0008","17.5559","0.0011","93.976","0.001","99.307","0.001","103.313","0.001","2230.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H57 N2 O P W -","- C52 H57 N2 O P W -","- C104 H114 N4 O2 P2 W2 -","2","1","","Annie J. Jiang; Jeffrey H. Simpson; Peter Müller; Richard R. Schrock","Fundamental Studies of Tungsten Alkylidene Imido Monoalkoxidepyrrolide Complexes","Journal of the American Chemical Society","2009","131","","7770","7780","10.1021/ja9012694","","","0.71073","MoKα","","0.0265","0.0231","","","0.0537","0.0555","","","","","","1.071","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104501","10.45","0.0003","33.847","0.001","12.9622","0.0004","90","","97.02","0.002","90","","4550.4","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C47 H64 Br2 N2 O2 Si W -","- C47 H64 Br2 N2 O2 Si W -","- C188 H256 Br8 N8 O8 Si4 W4 -","4","2","","Annie J. Jiang; Jeffrey H. Simpson; Peter Müller; Richard R. Schrock","Fundamental Studies of Tungsten Alkylidene Imido Monoalkoxidepyrrolide Complexes","Journal of the American Chemical Society","2009","131","","7770","7780","10.1021/ja9012694","","","1.54178","CuKα","","0.0261","0.0255","","","0.0615","0.0618","","","","","","1.032","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104502","19.164","0.002","8.0863","0.0011","18.0847","0.0012","90","","98.937","0.008","90","","2768.5","0.5","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 O4 P Ru -","- C30 H31 O4 P Ru -","- C120 H124 O16 P4 Ru4 -","4","1","","Rémi Martinez; Marc-Olivier Simon; Reynald Chevalier; Cyrielle Pautigny; Jean-Pierre Genet; Sylvain Darses","C-C Bond Formation via C-H Bond Activation Using an in Situ-Generated Ruthenium Catalyst","Journal of the American Chemical Society","2009","131","","7887","7895","10.1021/ja9017489","","","0.71073","MoKα","","0.0885","0.0365","","","0.0715","0.0854","","","","","","0.996","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104503","9.9136","0.0007","15.4103","0.0012","16.3476","0.0012","90","","90","","90","","2497.4","0.3","243","2","243","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(Phenazine)Mo(PMe3)3","","","- C21 H35 Mo N2 P3 -","- C21 H35 Mo N2 P3 -","- C84 H140 Mo4 N8 P12 -","4","1","","Sattler, Aaron; Zhu, Guang; Parkin, Gerard","Multiple Modes for Coordination of Phenazine to Molybdenum: Ring Fusion Promotes Access to η4-Coordination, Oxidative Addition of Dihydrogen and Hydrogenation of Aromatic Nitrogen Compounds","Journal of the American Chemical Society","2009","131","22","7828","7838","10.1021/ja901896x","","","0.71073","MoKα","","0.0195","0.0183","","","0.0482","0.0488","","","","","","1.031","","","","has coordinates","219209","2020-10-21","18:00:00",""
"4104504","14.5169","0.001","9.0962","0.0006","16.3795","0.0011","90","","115.463","0.001","90","","1952.8","0.2","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H62 Mo2 N2 P6 -","- C30 H62 Mo2 N2 P6 -","- C60 H124 Mo4 N4 P12 -","2","0.5","","Sattler, Aaron; Zhu, Guang; Parkin, Gerard","Multiple Modes for Coordination of Phenazine to Molybdenum: Ring Fusion Promotes Access to η4-Coordination, Oxidative Addition of Dihydrogen and Hydrogenation of Aromatic Nitrogen Compounds","Journal of the American Chemical Society","2009","131","22","7828","7838","10.1021/ja901896x","","","0.71073","MoKα","","0.1025","0.0465","","","0.072","0.0858","","","","","","1.002","","","","has coordinates","219209","2020-10-21","18:00:00",""
"4104505","18.174","0.0016","9.4426","0.0008","26.621","0.002","90","","97.48","0.001","90","","4529.5","0.6","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H88 Mo2 N2 P6 -","- C30 H64 Mo2 N2 P6 -","- C120 H256 Mo8 N8 P24 -","4","1","","Sattler, Aaron; Zhu, Guang; Parkin, Gerard","Multiple Modes for Coordination of Phenazine to Molybdenum: Ring Fusion Promotes Access to η4-Coordination, Oxidative Addition of Dihydrogen and Hydrogenation of Aromatic Nitrogen Compounds","Journal of the American Chemical Society","2009","131","22","7828","7838","10.1021/ja901896x","","","0.71073","MoKα","","0.0588","0.0374","","","0.0801","0.0852","","","","","","1.03","","","","has coordinates","219209","2020-10-21","18:00:00",""
"4104506","9.7998","0.0005","17.8776","0.0009","16.1462","0.0009","90","","100.422","0.001","90","","2782.1","0.3","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24.5 H44 Mo N P3 -","- C22 H38 Mo N P3 -","- C88 H152 Mo4 N4 P12 -","4","1","","Sattler, Aaron; Zhu, Guang; Parkin, Gerard","Multiple Modes for Coordination of Phenazine to Molybdenum: Ring Fusion Promotes Access to η4-Coordination, Oxidative Addition of Dihydrogen and Hydrogenation of Aromatic Nitrogen Compounds","Journal of the American Chemical Society","2009","131","22","7828","7838","10.1021/ja901896x","","","0.71073","MoKα","","0.0424","0.0348","","","0.0804","0.0829","","","","","","1.066","","","","has coordinates","219209","2020-10-21","18:00:00",""
"4104507","10.1768","0.0007","14.814","0.001","16.9546","0.0011","90","","103.315","0.001","90","","2487.4","0.3","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H39 Mo P3 -","- C23 H39 Mo P3 -","- C92 H156 Mo4 P12 -","4","1","","Sattler, Aaron; Zhu, Guang; Parkin, Gerard","Multiple Modes for Coordination of Phenazine to Molybdenum: Ring Fusion Promotes Access to η4-Coordination, Oxidative Addition of Dihydrogen and Hydrogenation of Aromatic Nitrogen Compounds","Journal of the American Chemical Society","2009","131","22","7828","7838","10.1021/ja901896x","","","0.71073","MoKα","","0.0652","0.0367","","","0.0706","0.0791","","","","","","1.002","","","","has coordinates","219209","2020-10-21","18:00:00",""
"4104508","13.4843","0.0009","14.0854","0.001","15.9116","0.0011","76.577","0.001","70.985","0.001","79.895","0.001","2762.7","0.3","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Mo N4 P2 -","- C30 H34 Mo N4 P2 -","- C120 H136 Mo4 N16 P8 -","4","2","","Sattler, Aaron; Zhu, Guang; Parkin, Gerard","Multiple Modes for Coordination of Phenazine to Molybdenum: Ring Fusion Promotes Access to η4-Coordination, Oxidative Addition of Dihydrogen and Hydrogenation of Aromatic Nitrogen Compounds","Journal of the American Chemical Society","2009","131","22","7828","7838","10.1021/ja901896x","","","0.71073","MoKα","","0.0668","0.0378","","","0.0879","0.1007","","","","","","1.005","","","","has coordinates","219209","2020-10-21","18:00:00",""
"4104509","9.2889","0.0005","11.5097","0.0006","23.4023","0.0013","90","","101.214","0.001","90","","2454.2","0.2","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H37 Mo N2 P3 -","- C21 H37 Mo N2 P3 -","- C84 H148 Mo4 N8 P12 -","4","1","","Sattler, Aaron; Zhu, Guang; Parkin, Gerard","Multiple Modes for Coordination of Phenazine to Molybdenum: Ring Fusion Promotes Access to η4-Coordination, Oxidative Addition of Dihydrogen and Hydrogenation of Aromatic Nitrogen Compounds","Journal of the American Chemical Society","2009","131","22","7828","7838","10.1021/ja901896x","","","0.71073","MoKα","","0.0406","0.031","","","0.0622","0.0665","","","","","","1.064","","","","has coordinates","219209","2020-10-21","18:00:00",""
"4104510","13.4943","0.0011","13.9119","0.0011","23.1706","0.0019","90","","97.263","0.001","90","","4314.9","0.6","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H35 Mo N2 P3 -","- C17 H35 Mo N2 P3 -","- C136 H280 Mo8 N16 P24 -","8","2","","Sattler, Aaron; Zhu, Guang; Parkin, Gerard","Multiple Modes for Coordination of Phenazine to Molybdenum: Ring Fusion Promotes Access to η4-Coordination, Oxidative Addition of Dihydrogen and Hydrogenation of Aromatic Nitrogen Compounds","Journal of the American Chemical Society","2009","131","22","7828","7838","10.1021/ja901896x","","","0.71073","MoKα","","0.0306","0.0251","","","0.0633","0.0669","","","","","","1.044","","","","has coordinates","219209","2020-10-21","18:00:00",""
"4104511","12.5971","0.0007","5.4794","0.0003","12.694","0.0007","90","","96.503","0.001","90","","870.56","0.08","125","2","125","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C52 H40 N4 -","2","0.5","","Sattler, Aaron; Zhu, Guang; Parkin, Gerard","Multiple Modes for Coordination of Phenazine to Molybdenum: Ring Fusion Promotes Access to η4-Coordination, Oxidative Addition of Dihydrogen and Hydrogenation of Aromatic Nitrogen Compounds","Journal of the American Chemical Society","2009","131","22","7828","7838","10.1021/ja901896x","","","0.71073","MoKα","","0.0575","0.0434","","","0.1137","0.1248","","","","","","1.026","","","","has coordinates","219209","2020-10-21","18:00:00",""
"4104512","6.6527","0.0007","10.892","0.0011","11.9177","0.0019","107.8","0.007","95.428","0.007","107.102","0.005","769.56","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H8 Cl O5 P W -","- C11 H8 Cl O5 P W -","- C22 H16 Cl2 O10 P2 W2 -","2","1","","Matthew P. Duffy; François Mathey","Generation and Trapping of a Terminal Chlorophosphinidene Complex","Journal of the American Chemical Society","2009","131","","7534","7535","10.1021/ja901918e","","","0.71073","MoKα","","0.021","0.0167","","","0.0394","0.0428","","","","","","1.062","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104513","6.4957","0.0002","15.7482","0.0005","14.0945","0.0004","90","","98.028","0.001","90","","1427.68","0.08","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Cl O5 P W -","- C11 H10 Cl O5 P W -","- C44 H40 Cl4 O20 P4 W4 -","4","1","","Matthew P. Duffy; François Mathey","Generation and Trapping of a Terminal Chlorophosphinidene Complex","Journal of the American Chemical Society","2009","131","","7534","7535","10.1021/ja901918e","","","0.71073","MoKα","","0.0224","0.018","","","0.0565","0.0803","","","","","","1.355","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104514","7.0477","0.0009","9.0172","0.0012","17.499","0.002","103.527","0.002","94.33","0.002","95.501","0.002","1070.7","0.2","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N4 O5 -","- C22 H26 N4 O5 -","- C44 H52 N8 O10 -","2","1","","David J. Hardee; Tristan H. Lambert","Lanthanum(III) Triflate-Catalyzed Cyclopropanation via Intramolecular Methylene Transfer","Journal of the American Chemical Society","2009","131","","7536","7537","10.1021/ja902137z","","","0.71073","MoKα","","0.1095","0.052","","","0.1093","0.1306","","","","","","1.001","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104515","22.1783","0.0014","9.4339","0.0006","10.8391","0.0007","90","","98.663","0.001","90","","2242","0.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 Cl2 N O8 S -","- C18 H25 Cl2 N O8 S -","- C72 H100 Cl8 N4 O32 S4 -","4","1","","D. Karl Bedke; Grant M. Shibuya; Alban Pereira; William H. Gerwick; Thomas H. Haines; Christopher D. Vanderwal","Relative Stereochemistry Determination and Synthesis of the Major Chlorosulfolipid from Ochromonas danica","Journal of the American Chemical Society","2009","131","","7570","7572","10.1021/ja902138w","","","0.71073","MoKα","","0.0327","0.028","","","0.0727","0.0763","","","","","","1.043","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104516","10.8038","0.001","23.985","0.002","8.7832","0.0008","90","","102.021","0.001","90","","2226.1","0.3","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","frojm03","","","- C28 H26 O6 -","- C28 H26 O6 -","- C112 H104 O24 -","4","1","","John A. Malona; Kevin Cariou; Alison J. Frontier","Nazarov Cyclization Initiated by Peracid Oxidation: The Total Synthesis of (\±)-Rocaglamide","Journal of the American Chemical Society","2009","131","","7560","7561","10.1021/ja9029736","","","0.71073","MoKα","","0.0731","0.0452","","","0.1044","0.1189","","","","","","1.021","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104517","9.0885","0.0014","9.8939","0.0015","14.454","0.002","85.558","0.003","79.432","0.003","77.598","0.003","1246.9","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","frojm09","","","- C27 H21 F3 O9 S -","- C27 H21 F3 O9 S -","- C54 H42 F6 O18 S2 -","2","1","","John A. Malona; Kevin Cariou; Alison J. Frontier","Nazarov Cyclization Initiated by Peracid Oxidation: The Total Synthesis of (\±)-Rocaglamide","Journal of the American Chemical Society","2009","131","","7560","7561","10.1021/ja9029736","","","0.71073","MoKα","","0.1319","0.0583","","","0.1123","0.1494","","","","","","0.96","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104518","24.6511","0.0009","15.6914","0.0004","24.5387","0.0008","90","","114.28","0.002","90","","8652.2","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46.5 H64 N4 O Si -","- C46.5 H64 N4 O Si -","- C372 H512 N32 O8 Si8 -","8","1","","Yun Xiong; Shenglai Yao; Matthias Driess","An Isolable NHC-Supported Silanone","Journal of the American Chemical Society","2009","131","","7562","7563","10.1021/ja9031049","","","0.71073","MoKα","","0.076","0.049","","","0.117","0.1271","","","","","","1.041","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104519","12.5248","0.0007","16.5902","0.0007","17.3318","0.0008","90","","105.545","0.005","90","","3469.6","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 N4 Si -","- C36 H52 N4 Si -","- C144 H208 N16 Si4 -","4","1","","Yun Xiong; Shenglai Yao; Matthias Driess","An Isolable NHC-Supported Silanone","Journal of the American Chemical Society","2009","131","","7562","7563","10.1021/ja9031049","","","0.71073","MoKα","","0.1972","0.0699","","","0.07","0.0939","","","","","","0.936","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104520","14.549","0.003","14.689","0.003","20.017","0.004","90","","97.19","0.03","90","","4244.2","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H68 Br2 P2 Pd2 -","- C40 H68 Br2 P2 Pd2 -","- C160 H272 Br8 P8 Pd8 -","4","1","","Fabiola Barrios-Landeros; Brad P. Carrow; John F. Hartwig","Effect of Ligand Steric Properties and Halide Identity on the Mechanism for Oxidative Addition of Haloarenes to Trialkylphosphine Pd(0) Complexes","Journal of the American Chemical Society","2009","131","","8141","8154","10.1021/ja900798s","","","0.71073","MoKα","","0.1119","0.0419","","","0.0677","0.0827","","","","","","0.914","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104521","15.251","0.003","14.575","0.003","20.401","0.004","90","","90.64","0.03","90","","4534.5","1.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H76 Cl2 P2 Pd2 -","- C48 H76 Cl2 P2 Pd2 -","- C192 H304 Cl8 P8 Pd8 -","4","1","","Fabiola Barrios-Landeros; Brad P. Carrow; John F. Hartwig","Effect of Ligand Steric Properties and Halide Identity on the Mechanism for Oxidative Addition of Haloarenes to Trialkylphosphine Pd(0) Complexes","Journal of the American Chemical Society","2009","131","","8141","8154","10.1021/ja900798s","","","0.71073","MoKα","","0.06","0.0386","","","0.0954","0.1042","","","","","","1.006","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104522","8.29","0.0017","24.948","0.005","10.626","0.002","90","","106.86","0.03","90","","2103.2","0.8","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H62 Cl2 F6 P2 Pd2 -","- C38 H61 Cl2 F6 P2 Pd2 -","- C76 H122 Cl4 F12 P4 Pd4 -","2","1","","Fabiola Barrios-Landeros; Brad P. Carrow; John F. Hartwig","Effect of Ligand Steric Properties and Halide Identity on the Mechanism for Oxidative Addition of Haloarenes to Trialkylphosphine Pd(0) Complexes","Journal of the American Chemical Society","2009","131","","8141","8154","10.1021/ja900798s","","","0.71073","MoKα","","0.0514","0.0427","","","0.1089","0.1146","","","","","","1.015","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104523","8.7256","0.0003","10.1686","0.0004","15.1679","0.0005","74.382","0.002","81.966","0.002","84.065","0.002","1280.34","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H16 F9 N -","- C30 H16 F9 N -","- C60 H32 F18 N2 -","2","1","","Jong Won Chung; Youngmin You; Hyun Sue Huh; Byeong-Kwan An; Seong-Jun Yoon; Se Hun Kim; Soon W. Lee; Soo Young Park","Shear- and UV-Induced Fluorescence Switching in Stilbenic π-Dimer Crystals Powered by Reversible [2 + 2] Cycloaddition","Journal of the American Chemical Society","2009","131","","8163","8172","10.1021/ja900803d","","","0.71073","MoKα","","0.1278","0.1131","","","0.3149","0.3312","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104524","8.626","0.0016","10.283","0.002","15.342","0.004","75.91","0.02","79.12","0.02","82.83","0.017","1291.7","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H16 F9 N -","- C30 H16 F9 N -","- C60 H32 F18 N2 -","2","1","","Jong Won Chung; Youngmin You; Hyun Sue Huh; Byeong-Kwan An; Seong-Jun Yoon; Se Hun Kim; Soon W. Lee; Soo Young Park","Shear- and UV-Induced Fluorescence Switching in Stilbenic π-Dimer Crystals Powered by Reversible [2 + 2] Cycloaddition","Journal of the American Chemical Society","2009","131","","8163","8172","10.1021/ja900803d","","","0.71073","MoKα","","0.1299","0.1053","","","0.3167","0.3499","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104525","7.4886","0.0009","7.9502","0.001","11.2672","0.0014","90","","91.095","0.002","90","","670.68","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C28 H26 N2 O10 -","2","1","","Christopher J. Hayes; Nigel S. Simpkins; Douglas T. Kirk; Lee Mitchell; Jerome Baudoux; Alexander J. Blake; Claire Wilson","Bridgehead Lithiation-Substitution of Bridged Ketones, Lactones, Lactams, and Imides: Experimental Observations and Computational Insights","Journal of the American Chemical Society","2009","131","","8196","8210","10.1021/ja9009875","","","0.71073","MoKα","","0.0315","0.0293","","","0.0771","0.0784","","","","","","1.046","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104526","9.3099","0.0013","12.519","0.002","12.858","0.002","63.488","0.002","83.907","0.002","81.996","0.002","1326.3","0.3","150","2","150","2","","","","","","","","3","P 1","P 1","1","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C64 H80 O8 -","4","4","","Christopher J. Hayes; Nigel S. Simpkins; Douglas T. Kirk; Lee Mitchell; Jerome Baudoux; Alexander J. Blake; Claire Wilson","Bridgehead Lithiation-Substitution of Bridged Ketones, Lactones, Lactams, and Imides: Experimental Observations and Computational Insights","Journal of the American Chemical Society","2009","131","","8196","8210","10.1021/ja9009875","","","0.71073","MoKα","","0.0682","0.0493","","","0.1189","0.1285","","","","","","1.002","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104527","6.1361","0.0009","20.097","0.003","25.013","0.004","90","","91.633","0.002","90","","3083.3","0.8","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 N O2 Si -","- C16 H21 N O2 Si -","- C128 H168 N8 O16 Si8 -","8","4","","Christopher J. Hayes; Nigel S. Simpkins; Douglas T. Kirk; Lee Mitchell; Jerome Baudoux; Alexander J. Blake; Claire Wilson","Bridgehead Lithiation-Substitution of Bridged Ketones, Lactones, Lactams, and Imides: Experimental Observations and Computational Insights","Journal of the American Chemical Society","2009","131","","8196","8210","10.1021/ja9009875","","","0.71073","MoKα","","0.0772","0.0607","","","0.1445","0.1523","","","","","","1.026","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4104528","11.071","0.0012","6.1798","0.0007","24.568","0.003","90","","102.43","0.002","90","","1641.5","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H23 N O2 Si -","- C17 H23 N O2 Si -","- C68 H92 N4 O8 Si4 -","4","2","","Christopher J. Hayes; Nigel S. Simpkins; Douglas T. Kirk; Lee Mitchell; Jerome Baudoux; Alexander J. Blake; Claire Wilson","Bridgehead Lithiation-Substitution of Bridged Ketones, Lactones, Lactams, and Imides: Experimental Observations and Computational Insights","Journal of the American Chemical Society","2009","131","","8196","8210","10.1021/ja9009875","","","0.6892","synchrotron","","0.06","0.0534","","","0.1167","0.1191","","","","","","0.935","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4104529","6.293","0.002","11.15","0.004","25.494","0.008","90","","90","","90","","1788.8","1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O S Si -","- C17 H23 N O S Si -","- C68 H92 N4 O4 S4 Si4 -","4","1","","Christopher J. Hayes; Nigel S. Simpkins; Douglas T. Kirk; Lee Mitchell; Jerome Baudoux; Alexander J. Blake; Claire Wilson","Bridgehead Lithiation-Substitution of Bridged Ketones, Lactones, Lactams, and Imides: Experimental Observations and Computational Insights","Journal of the American Chemical Society","2009","131","","8196","8210","10.1021/ja9009875","","","0.71073","MoKα","","0.0765","0.0436","","","0.0813","0.0883","","","","","","0.93","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4104530","9.2218","0.0018","11.407","0.002","15.182","0.003","88.63","0.03","73.5","0.03","84.78","0.03","1524.9","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H32 O11 -","- C35 H32 O11 -","- C70 H64 O22 -","2","1","","Yu Feng; Zi-Tong Liu; Ji Liu; Yan-Mei He; Qi-Yu Zheng; Qing-Hua Fan","Peripherally Dimethyl Isophthalate-Functionalized Poly(benzyl ether) Dendrons: A New Kind of Unprecedented Highly Efficient Organogelators","Journal of the American Chemical Society","2009","131","","7950","7951","10.1021/ja901501j","","","0.71073","MoKα","","0.1255","0.0816","","","0.1341","0.1467","","","","","","1.214","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104531","13.4328","0.0003","14.2892","0.0002","22.198","0.0004","90","","105.729","0.003","90","","4101.23","0.14","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H39 B2 Fe3 N20 O7 -","- C28 H34 B2 Fe3 N20 O7 -","- C112 H136 B8 Fe12 N80 O28 -","4","1","","Yan-Juan Zhang; Tao Liu; Shinji Kanegawa; Osamu Sato","Reversible Single-Crystal-to-Single-Crystal Transformation from Achiral Antiferromagnetic Hexanuclears to a Chiral Ferrimagnetic Double Zigzag Chain","Journal of the American Chemical Society","2009","131","","7942","7943","10.1021/ja901539y","","","0.71073","MoKα","","0.1221","0.0798","","","0.1571","0.1718","","","","","","1.105","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104532","21.9803","0.0003","14.3748","0.0002","13.3242","0.0002","90","","120.32","0.005","90","","3634.1","0.2","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H20 B2 Fe3 N18 O -","- C24 H18 B2 Fe3 N18 O -","- C96 H72 B8 Fe12 N72 O4 -","4","1","","Yan-Juan Zhang; Tao Liu; Shinji Kanegawa; Osamu Sato","Reversible Single-Crystal-to-Single-Crystal Transformation from Achiral Antiferromagnetic Hexanuclears to a Chiral Ferrimagnetic Double Zigzag Chain","Journal of the American Chemical Society","2009","131","","7942","7943","10.1021/ja901539y","","","0.71073","MoKα","","0.1611","0.1218","","","0.29","0.3389","","","","","","1.168","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104533","14.4533","0.0009","14.4533","0.0009","14.4533","0.0009","112.201","0.001","112.201","0.001","112.201","0.001","2056.1","0.2","163","2","163","2","","","","","","","","5","R 3 c :R","P 3* -2n","161","","","","- C9 H6 Fe2 O7 S2 -","- C9 H6 Fe2 O7 S2 -","- C54 H36 Fe12 O42 S12 -","6","1","","Tianbiao Liu; Bin Li; Michael L. Singleton; Michael B. Hall; Marcetta Y. Darensbourg","Sulfur Oxygenates of Biomimetics of the Diiron Subsite of the [FeFe]-Hydrogenase Active Site: Properties and Oxygen Damage Repair Possibilities","Journal of the American Chemical Society","2009","131","","8296","8307","10.1021/ja9016528","","","0.71073","MoKα","","0.0452","0.0434","","","0.1076","0.1097","","","","","","1.078","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104534","9.028","0.002","11.105","0.002","14.688","0.003","94.528","0.012","90.33","0.012","110.374","0.01","1375.3","0.5","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 Fe2 O7 P S2 -","- C26 H21 Fe2 O7 P S2 -","- C52 H42 Fe4 O14 P2 S4 -","2","1","","Tianbiao Liu; Bin Li; Michael L. Singleton; Michael B. Hall; Marcetta Y. Darensbourg","Sulfur Oxygenates of Biomimetics of the Diiron Subsite of the [FeFe]-Hydrogenase Active Site: Properties and Oxygen Damage Repair Possibilities","Journal of the American Chemical Society","2009","131","","8296","8307","10.1021/ja9016528","","","1.54178","CuKα","","0.0767","0.0503","","","0.1039","0.1116","","","","","","0.906","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104535","9.2023","0.0012","10.1762","0.0013","14.772","0.002","95.35","0.007","94.305","0.007","107.375","0.006","1306.7","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 Fe2 O6 P S2 -","- C26 H21 Fe2 O6 P S2 -","- C52 H42 Fe4 O12 P2 S4 -","2","1","","Tianbiao Liu; Bin Li; Michael L. Singleton; Michael B. Hall; Marcetta Y. Darensbourg","Sulfur Oxygenates of Biomimetics of the Diiron Subsite of the [FeFe]-Hydrogenase Active Site: Properties and Oxygen Damage Repair Possibilities","Journal of the American Chemical Society","2009","131","","8296","8307","10.1021/ja9016528","","","1.54178","CuKα","","0.103","0.067","","","0.1587","0.1755","","","","","","0.914","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104536","20.59","0.002","9.4714","0.001","22.335","0.002","90","","104.732","0.005","90","","4212.5","0.7","106","2","106","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H25 Fe2 O5.5 P2 S2 -","- C13 H25 Fe2 O5.5 P2 S2 -","- C104 H200 Fe16 O44 P16 S16 -","8","2","","Tianbiao Liu; Bin Li; Michael L. Singleton; Michael B. Hall; Marcetta Y. Darensbourg","Sulfur Oxygenates of Biomimetics of the Diiron Subsite of the [FeFe]-Hydrogenase Active Site: Properties and Oxygen Damage Repair Possibilities","Journal of the American Chemical Society","2009","131","","8296","8307","10.1021/ja9016528","","","1.54178","CuKα","","0.0931","0.0589","","","0.1302","0.1493","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104537","8.392","0.004","12.651","0.006","12.692","0.006","88.196","0.008","78.502","0.008","77.183","0.008","1287.4","1.1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H26 Cl2 Fe Na0 O6 P2 -","- C22 H26 Cl2 Fe O6 P2 -","- C44 H52 Cl4 Fe2 O12 P4 -","2","1","","Tianbiao Liu; Bin Li; Michael L. Singleton; Michael B. Hall; Marcetta Y. Darensbourg","Sulfur Oxygenates of Biomimetics of the Diiron Subsite of the [FeFe]-Hydrogenase Active Site: Properties and Oxygen Damage Repair Possibilities","Journal of the American Chemical Society","2009","131","","8296","8307","10.1021/ja9016528","","","0.71073","MoKα","","0.062","0.0464","","","0.1151","0.1248","","","","","","1.036","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104538","13.3637","0.0004","13.3637","0.0004","9.5954","0.0007","90","","90","","90","","1713.63","0.14","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C44 H27 Fe N5 O -","- C44 H27 Fe N5 O -","- C88 H54 Fe2 N10 O2 -","2","0.125","","Wei-Min Ching; Chuan-Hung Chuang; Chih-Wei Wu; Chih-Hsiung Peng; Chen-Hsiung Hung","Facile Nitrite Reduction and Conversion Cycle of {Fe(NO)}6/7 Species: Chemistry of Iron N-Confused Porphyrin Complexes via Protonation/Deprotonation","Journal of the American Chemical Society","2009","131","","7952","7953","10.1021/ja901796j","","","0.71073","MoKα","","0.1219","0.0589","","","0.1518","0.17","","","","","","1.037","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104539","15.8963","0.0005","9.6917","0.0003","22.5515","0.0007","90","","98.775","0.002","90","","3433.67","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H28 Cl Fe N5 O5 -","- C44 H28 Cl Fe N5 O5 -","- C176 H112 Cl4 Fe4 N20 O20 -","4","1","","Wei-Min Ching; Chuan-Hung Chuang; Chih-Wei Wu; Chih-Hsiung Peng; Chen-Hsiung Hung","Facile Nitrite Reduction and Conversion Cycle of {Fe(NO)}6/7 Species: Chemistry of Iron N-Confused Porphyrin Complexes via Protonation/Deprotonation","Journal of the American Chemical Society","2009","131","","7952","7953","10.1021/ja901796j","","","0.71073","MoKα","","0.0818","0.0501","","","0.1276","0.1492","","","","","","1.04","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104540","13.3762","0.0017","13.3762","0.0017","9.656","0.003","90","","90","","90","","1727.7","0.6","200","2","200","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C44 H28 Fe N5 O -","- C44 H28 Fe N5 O1.04 -","- C88 H56 Fe2 N10 O2.08 -","2","0.125","","Wei-Min Ching; Chuan-Hung Chuang; Chih-Wei Wu; Chih-Hsiung Peng; Chen-Hsiung Hung","Facile Nitrite Reduction and Conversion Cycle of {Fe(NO)}6/7 Species: Chemistry of Iron N-Confused Porphyrin Complexes via Protonation/Deprotonation","Journal of the American Chemical Society","2009","131","","7952","7953","10.1021/ja901796j","","","0.71073","MoKα","","0.0803","0.0496","","","0.1211","0.1321","","","","","","1.152","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104541","8.702","0.002","12.33","0.003","23.758","0.006","92.188","0.004","91.229","0.004","101.656","0.004","2493.6","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H76 N2 O W -","- C55 H76 N2 O W -","- C110 H152 N4 O2 W2 -","2","1","","Margaret M. Flook; Annie J. Jiang; Richard R. Schrock; Amir H. Hoveyda","Z-Selective Olefin Metathesis Processes Catalyzed by a Molybdenum Hexaisopropylterphenoxide Monopyrrolide Complex","Journal of the American Chemical Society","2009","131","","7962","7963","10.1021/ja902738u","","","0.71073","MoKα","","0.0822","0.0672","","","0.1587","0.1684","","","","","","1.025","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104542","17.131","0.003","13.08","0.002","13.497","0.002","90","","107.38","0.002","90","","2886.2","0.8","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 Fe N4 O2 -","- C29 H41 Fe N4 O2 -","- C116 H164 Fe4 N16 O8 -","4","1","","Zachary J. Tonzetich; Loi H. Do; Stephen J. Lippard","Dinitrosyl Iron Complexes Relevant to Rieske Cluster Nitrosylation","Journal of the American Chemical Society","2009","131","","7964","7965","10.1021/ja9030159","","","0.71073","MoKα","","0.0482","0.041","","","0.1092","0.1137","","","","","","1.044","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104543","10.7691","0.0011","19.3","0.002","27.719","0.003","90","","91.406","0.002","90","","5759.5","1","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H71 Fe N5 O2 P2 -","- C65 H71 Fe N5 O2 P2 -","- C260 H284 Fe4 N20 O8 P8 -","4","1","","Zachary J. Tonzetich; Loi H. Do; Stephen J. Lippard","Dinitrosyl Iron Complexes Relevant to Rieske Cluster Nitrosylation","Journal of the American Chemical Society","2009","131","","7964","7965","10.1021/ja9030159","","","0.71073","MoKα","","0.0872","0.0698","","","0.1881","0.2063","","","","","","1.121","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104544","6.1776","0.0007","10.4112","0.0012","18.857","0.002","90","","92.794","0.003","90","","1211.4","0.2","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H41 N O4 -","- C23 H41 N O4 -","- C46 H82 N2 O8 -","2","1","","Michael H. Kerrigan; Sang-Jin Jeon; Young K. Chen; Luca Salvi; Patrick J. Carroll; Patrick J. Walsh","One-Pot Multicomponent Coupling Methods for the Synthesis of Diastereo- and Enantioenriched (Z)-Trisubstituted Allylic Alcohols","Journal of the American Chemical Society","2009","131","","8434","8445","10.1021/ja809821x","","","0.71069","MoKα","","0.0639","0.0342","","","0.0661","0.0787","","","","","","0.909","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104545","10.7389","0.0004","20.9329","0.0007","20.7871","0.0007","90","","90","","90","","4672.9","0.3","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C44 H30 Ag2 B2 F10 N10 O8 -","- C44 H30 Ag2 B2 F10 N10 O8 -","- C176 H120 Ag8 B8 F40 N40 O32 -","4","0.5","","Ming-Liang Ma; Xiao-Yan Li; Ke Wen","Coordination-Driven Self-Assembly of a Discrete Molecular Cage and an Infinite Chain of Coordination Cages Based on ortho-Linked Oxacalix[2]benzene[2]pyrazine and Oxacalix[2]arene[2]pyrazine","Journal of the American Chemical Society","2009","131","","8338","8339","10.1021/ja900291w","","","0.71073","MoKα","","0.0402","0.0395","","","0.1166","0.1175","","","","","","1.094","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104546","12.6692","0.0003","21.3336","0.0005","7.9208","0.0002","90","","90","","90","","2140.83","0.09","173","2","173","2","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C11.75 H7.75 Ag0.25 B0.25 F1.25 N2 O2 -","- C11.75 H7.75 Ag0.25 B0.25 F1.25 N2 O2 -","- C94 H62 Ag2 B2 F10 N16 O16 -","8","1","","Ming-Liang Ma; Xiao-Yan Li; Ke Wen","Coordination-Driven Self-Assembly of a Discrete Molecular Cage and an Infinite Chain of Coordination Cages Based on ortho-Linked Oxacalix[2]benzene[2]pyrazine and Oxacalix[2]arene[2]pyrazine","Journal of the American Chemical Society","2009","131","","8338","8339","10.1021/ja900291w","","","0.71073","MoKα","","0.0446","0.0424","","","0.112","0.116","","","","","","1.091","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104547","9.6049","0.0019","9.6051","0.0019","19.251","0.004","82.72","0.03","82.65","0.03","88.48","0.03","1747.1","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H40 Cl2 Fe N6 O3 S2 -","- C35 H40 Cl2 Fe N6 O3 S2 -","- C70 H80 Cl4 Fe2 N12 O6 S4 -","2","1","","Michael J. Rose; Nolan M. Betterley; Pradip K. Mascharak","Thiolate S-Oxygenation Controls Nitric Oxide (NO) Photolability of a Synthetic Iron Nitrile Hydratase (Fe-NHase) Model Derived from Mixed Carboxamide/Thiolate Ligand","Journal of the American Chemical Society","2009","131","","8340","8341","10.1021/ja9004656","","","0.7749","synchrotron","","0.0974","0.0772","","","0.2048","0.2233","","","","","","1.062","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104548","13.4564","0.0014","18.4","0.002","18.93","0.002","86.35","0.001","79.84","0.001","79.015","0.001","4526.8","0.8","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H56.5 Cl2 Fe N5.5 O3.5 S2 -","- C42 H51.5 Cl2 Fe N5.5 O3.5 S2 -","- C168 H206 Cl8 Fe4 N22 O14 S8 -","4","2","","Michael J. Rose; Nolan M. Betterley; Pradip K. Mascharak","Thiolate S-Oxygenation Controls Nitric Oxide (NO) Photolability of a Synthetic Iron Nitrile Hydratase (Fe-NHase) Model Derived from Mixed Carboxamide/Thiolate Ligand","Journal of the American Chemical Society","2009","131","","8340","8341","10.1021/ja9004656","","","0.71073","MoKα","","0.0958","0.0613","","","0.1693","0.1886","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104549","9.1259","0.0018","11.164","0.002","19.548","0.004","90","","90","","90","","1991.6","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O3 -","- C24 H23 N O3 -","- C96 H92 N4 O12 -","4","1","","Marino J. E. Resendiz; Farnosh Family; Kerrian Fuller; Luis M. Campos; Saeed I. Khan; Natalia V. Lebedeva; Malcolm D. E. Forbes; Miguel A. Garcia-Garibay","Radical Reactions with Double Memory of Chirality (2MOC) for the Enantiospecific Synthesis of Adjacent Stereogenic Quaternary Centers in Solution: Cleavage and Bonding Faster than Radical Rotation","Journal of the American Chemical Society","2009","131","","8425","8433","10.1021/ja900781n","","","0.71073","MoKα","","0.0554","0.0405","","","0.0835","0.0911","","","","","","1.037","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104550","6.8604","0.0013","6.8604","0.0013","40.242","0.011","90","","90","","90","","1894","0.7","110","2","110","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C23 H24 N2 O3 -","- C23 H24 N2 O3 -","- C92 H96 N8 O12 -","4","0.5","","Marino J. E. Resendiz; Farnosh Family; Kerrian Fuller; Luis M. Campos; Saeed I. Khan; Natalia V. Lebedeva; Malcolm D. E. Forbes; Miguel A. Garcia-Garibay","Radical Reactions with Double Memory of Chirality (2MOC) for the Enantiospecific Synthesis of Adjacent Stereogenic Quaternary Centers in Solution: Cleavage and Bonding Faster than Radical Rotation","Journal of the American Chemical Society","2009","131","","8425","8433","10.1021/ja900781n","","","0.71073","MoKα","","0.0635","0.0591","","","0.1324","0.1339","","","","","","1.289","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104551","10.6231","0.0003","14.0223","0.0005","19.2344","0.0009","90","","90","","90","","2865.16","0.19","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 F3 N2 O5 S -","- C26 H41 F3 N2 O5 S -","- C104 H164 F12 N8 O20 S4 -","4","1","","Sebastian Würtz; Claudia Lohre; Roland Fröhlich; Klaus Bergander; Frank Glorius","IBiox[(-)-menthyl]: A Sterically Demanding Chiral NHC Ligand","Journal of the American Chemical Society","2009","131","","8344","8345","10.1021/ja901018g","","","1.54178","CuKα","","0.0704","0.0521","","","0.1114","0.1246","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104552","10.6661","0.0002","12.9006","0.0002","18.6675","0.0004","90","","90","","90","","2568.63","0.08","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 Ag Br N2 O2 -","- C25 H40 Ag Br N2 O2 -","- C100 H160 Ag4 Br4 N8 O8 -","4","1","","Sebastian Würtz; Claudia Lohre; Roland Fröhlich; Klaus Bergander; Frank Glorius","IBiox[(-)-menthyl]: A Sterically Demanding Chiral NHC Ligand","Journal of the American Chemical Society","2009","131","","8344","8345","10.1021/ja901018g","","","0.71073","MoKα","","0.079","0.0463","","","0.0695","0.0784","","","","","","1.057","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104553","5.4069","0.0009","9.6575","0.0016","15.955","0.003","102.987","0.003","95.655","0.003","100.24","0.003","790.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 Cl N -","- C16 H24 Cl N -","- C32 H48 Cl2 N2 -","2","1","","Hu He; Wen-Bo Liu; Li-Xin Dai; Shu-Li You","Ir-Catalyzed Cross-Coupling of Styrene Derivatives with Allylic Carbonates: Free Amine Assisted Vinyl C-H Bond Activation","Journal of the American Chemical Society","2009","131","","8346","8347","10.1021/ja901384j","","","0.71073","MoKα","","0.0698","0.0532","","","0.1336","0.1427","","","","","","0.947","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104554","11.872","0.005","12.634","0.006","16.656","0.007","101.4","0.008","99.906","0.008","90.172","0.009","2410.7","1.8","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C26.5 H26.5 Cl N Si -","- C26.5 H26.5 Cl N Si -","- C106 H106 Cl4 N4 Si4 -","4","2","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.164","0.0937","","","0.2858","0.3211","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104555","7.6874","0.0005","11.6176","0.0008","12.1282","0.0008","105.956","0.001","106.265","0.001","99.853","0.001","962.95","0.11","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N O Si -","- C21 H27 N O Si -","- C42 H54 N2 O2 Si2 -","2","1","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.0428","0.04","","","0.1138","0.1159","","","","","","1.042","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104556","9.5589","0.0009","12.4419","0.0011","12.473","0.0011","60.898","0.001","75.788","0.002","89.39","0.002","1246.1","0.2","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 F3 N O Si -","- C27 H28 F3 N O Si -","- C54 H56 F6 N2 O2 Si2 -","2","1","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKa","","0.0476","0.0424","","","0.1168","0.1206","","","","","","1.035","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104557","8.7034","0.0006","9.7875","0.0008","13.2568","0.0008","82.294","0.001","73.449","0.001","73.152","0.001","1034.39","0.13","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 N O2 Si -","- C22 H29 N O2 Si -","- C44 H58 N2 O4 Si2 -","2","1","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.0556","0.0491","","","0.1392","0.1437","","","","","","1.101","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104558","9.7654","0.0007","30.089","0.002","13.7152","0.001","90","","95.274","0.001","90","","4012.9","0.5","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Cl N O Si -","- C21 H26 Cl N O Si -","- C168 H208 Cl8 N8 O8 Si8 -","8","2","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.0738","0.0547","","","0.1561","0.1642","","","","","","0.988","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104559","8.922","0.003","15.574","0.005","18.579","0.006","94.703","0.005","96.798","0.006","99.74","0.006","2512.7","1.4","300","2","300","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H25 Cl F3 N O3 S Si -","- C22 H25 Cl F3 N O3 S Si -","- C88 H100 Cl4 F12 N4 O12 S4 Si4 -","4","2","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.0732","0.0561","","","0.1599","0.1703","","","","","","1.051","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104560","8.0586","0.0013","14.782","0.002","20.24","0.003","90","","90","","90","","2411","0.6","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 F3 N Si -","- C27 H26 F3 N Si -","- C108 H104 F12 N4 Si4 -","4","1","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.087","0.0746","","","0.2021","0.214","","","","","","1.057","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104561","17.8271","0.0014","14.2864","0.0011","20.0246","0.0016","90","","96.779","0.001","90","","5064.3","0.7","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N O2 S Si -","- C27 H29 N O2 S Si -","- C216 H232 N8 O16 S8 Si8 -","8","2","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.1135","0.0684","","","0.1787","0.196","","","","","","1.061","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104562","7.8753","0.0007","9.9812","0.0009","12.5882","0.0011","85.742","0.002","89.861","0.002","89.268","0.002","986.68","0.15","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 Si -","- C22 H24 N2 Si -","- C44 H48 N4 Si2 -","2","1","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.0745","0.0599","","","0.1836","0.196","","","","","","1.08","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104563","17.16","0.002","15.249","0.002","7.5538","0.001","90","","90","","90","","1976.6","0.4","300","2","300","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H24 Cl N Si -","- C21 H24 Cl N Si -","- C84 H96 Cl4 N4 Si4 -","4","1","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.0489","0.0438","","","0.1156","0.1202","","","","","","1.039","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104564","11.9398","0.0008","10.6673","0.0007","15.4012","0.0011","90","","90","","90","","1961.6","0.2","300","2","300","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H24 Cl N Si -","- C21 H24 Cl N Si -","- C84 H96 Cl4 N4 Si4 -","4","1","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.0475","0.043","","","0.1114","0.1156","","","","","","1.055","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104565","13.7439","0.0002","23.6882","0.0003","19.7743","0.0003","90","","99.337","0.001","90","","6352.59","0.16","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C55 H57 B Cl2 F24 Ir N O2 P2 -","- C55 H56 B Cl2 F24 Ir N O2 P2 -","- C220 H224 B4 Cl8 F96 Ir4 N4 O8 P8 -","4","1","","Wesley H. Bernskoetter; Susan Kloek Hanson; Sara K. Buzak; Zoe Davis; Peter S. White; Rodney Swartz; Karen I. Goldberg; Maurice Brookhart","Investigations of Iridium-Mediated Reversible C-H Bond Cleavage: Characterization of a 16-Electron Iridium(III) Methyl Hydride Complex","Journal of the American Chemical Society","2009","131","","8603","8613","10.1021/ja901706b","","","0.71073","MoKα","","0.0452","0.0373","","","0.0939","0.099","","","","","","1.027","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104566","8.3103","0.0004","10.6257","0.0008","17.3126","0.0014","92.182","0.006","98.874","0.006","110.226","0.002","1410.41","0.17","130","2","130","2","","","","","","","","6","P -1","-P 1","2","EJK-I-18","EJK-I-18","","- C27 H44 Ir N O2 P2 -","- C27 H44 Ir N O2 P2 -","- C54 H88 Ir2 N2 O4 P4 -","2","1","","Wesley H. Bernskoetter; Susan Kloek Hanson; Sara K. Buzak; Zoe Davis; Peter S. White; Rodney Swartz; Karen I. Goldberg; Maurice Brookhart","Investigations of Iridium-Mediated Reversible C-H Bond Cleavage: Characterization of a 16-Electron Iridium(III) Methyl Hydride Complex","Journal of the American Chemical Society","2009","131","","8603","8613","10.1021/ja901706b","","","0.71073","MoKα","","0.103","0.0782","","","0.1908","0.2107","","","","","","1.027","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104567","6.9209","0.0014","11.428","0.002","11.612","0.002","87.68","0.03","88.16","0.03","79.5","0.03","902","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- H6 K7 O35 Si12 Sm3 -","- K7 O35 Si12 Sm3 -","- K7 O35 Si12 Sm3 -","1","0.5","","Duarte Ananias; Mariya Kostova; Filipe A. Almeida Paz; Albano N. C. Neto; Renaldo T. De Moura; Oscar L. Malta; Luis D. Carlos; João Rocha","Molecule-Like Eu3±Dimers Embedded in an Extended System Exhibit Unique Photoluminescence Properties","Journal of the American Chemical Society","2009","131","","8620","8626","10.1021/ja901820z","","","0.71073","MoKα","","0.0425","0.0391","","","0.0969","0.0997","","","","","","1.008","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104568","6.9007","0.0003","11.43","0.0006","11.5835","0.0006","87.695","0.002","88.471","0.002","79.589","0.002","897.7","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- Eu3 H8 K7 O36 Si12 -","- Eu3 K7 O36 Si12 -","- Eu3 K7 O36 Si12 -","1","0.5","","Duarte Ananias; Mariya Kostova; Filipe A. Almeida Paz; Albano N. C. Neto; Renaldo T. De Moura; Oscar L. Malta; Luis D. Carlos; João Rocha","Molecule-Like Eu3±Dimers Embedded in an Extended System Exhibit Unique Photoluminescence Properties","Journal of the American Chemical Society","2009","131","","8620","8626","10.1021/ja901820z","","","0.71073","MoKα","","0.0339","0.0321","","","0.0749","0.0757","","","","","","1.196","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104569","10.606","0.0015","10.606","0.0015","5.159","0.001","90","","90","","90","","580.32","0.16","293","2","293","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Ba Hg2 Tl2 -","- Ba Hg2 Tl2 -","- Ba4 Hg8 Tl8 -","4","0.25","","Jing-Cao Dai; Shalabh Gupta; Olivier Gourdon; Hyun-Jeong Kim; John D. Corbett","BaHg2Tl2. An Unusual Polar Intermetallic Phase with Strong Differentiation between the Neighboring Elements Mercury and Thallium","Journal of the American Chemical Society","2009","131","","8677","8682","10.1021/ja901865d","","","0.71073","MoKα","","0.058","0.0414","","","0.0772","0.0799","","","","","","1.005","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104570","10.5933","0.0006","10.5933","0.0006","5.1594","0.0003","90","","90","","90","","578.98","0.06","293","2","293","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Ba Hg2 Tl2 -","- Ba Hg2 Tl2 -","- Ba4 Hg8 Tl8 -","4","0.25","","Jing-Cao Dai; Shalabh Gupta; Olivier Gourdon; Hyun-Jeong Kim; John D. Corbett","BaHg2Tl2. An Unusual Polar Intermetallic Phase with Strong Differentiation between the Neighboring Elements Mercury and Thallium","Journal of the American Chemical Society","2009","131","","8677","8682","10.1021/ja901865d","powder diffraction","neutron","","neutron","","0.1288","0.1263","","","0.1261","0.1262","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104571","17.78","0.003","17.78","0.003","33.531","0.007","90","","90","","120","","9180","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H90 N42 O12 Zn6 -","- C78 H90 N42 O12 Zn6 -","- C234 H270 N126 O36 Zn18 -","3","0.166667","","Jihyun An; Richard P. Fiorella; Steven J. Geib; Nathaniel L. Rosi","Synthesis, Structure, Assembly, and Modulation of the CO2 Adsorption Properties of a Zinc-Adeninate Macrocycle","Journal of the American Chemical Society","2009","131","","8401","8403","10.1021/ja901869m","","x-ray","0.71073","MoKα","","0.101","0.0716","","","0.2064","0.2233","","","","","","1.222","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104572","19.16","0.004","35.098","0.007","14.954","0.003","90","","108.7","0.03","90","","9525","4","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C87 H86 Cl2 N14 O25 -","- C87 H86 Cl1.9 N14 O24.93 -","- C348 H344 Cl7.6 N56 O99.72 -","4","1","","David Sánchez-García; Brice Kauffmann; Takahiro Kawanami; Hirotaka Ihara; Makoto Takafuji; Marie-Hélène Delville; Ivan Huc","Nanosized Hybrid Oligoamide Foldamers: Aromatic Templates for the Folding of Multiple Aliphatic Units","Journal of the American Chemical Society","2009","131","","8642","8648","10.1021/ja9019758","","","1.54178","CuKα","","0.1583","0.1498","","","0.4315","0.4463","","","","","","1.311","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104573","15.5104","0.0002","21.9149","0.0005","44.8309","0.0008","90","","98.432","0.001","90","","15073.7","0.5","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C146 H178 N20 O29 S6.5 -","- C146 H178 N20 O29 S6.375 -","- C584 H712 N80 O116 S25.5 -","4","1","","David Sánchez-García; Brice Kauffmann; Takahiro Kawanami; Hirotaka Ihara; Makoto Takafuji; Marie-Hélène Delville; Ivan Huc","Nanosized Hybrid Oligoamide Foldamers: Aromatic Templates for the Folding of Multiple Aliphatic Units","Journal of the American Chemical Society","2009","131","","8642","8648","10.1021/ja9019758","","","1.5418","CuKα","","0.1839","0.1479","","","0.3638","0.3927","","","","","","1.168","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104574","13.1809","0.0011","32.553","0.002","33.151","0.004","90","","91.912","0.007","90","","14216","2","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C151 H160 Cl0 N22 O26 -","- C151 H160 N22 O25.33 -","- C604 H640 N88 O101.32 -","4","1","","David Sánchez-García; Brice Kauffmann; Takahiro Kawanami; Hirotaka Ihara; Makoto Takafuji; Marie-Hélène Delville; Ivan Huc","Nanosized Hybrid Oligoamide Foldamers: Aromatic Templates for the Folding of Multiple Aliphatic Units","Journal of the American Chemical Society","2009","131","","8642","8648","10.1021/ja9019758","","","1.5418","CuKα","","0.1212","0.0977","","","0.2724","0.2967","","","","","","1.309","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104575","15.9229","0.0006","17.4859","0.0008","28.2835","0.0014","96.674","0.002","97.181","0.002","101.876","0.002","7563.7","0.6","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C160 H164 N24 O25.5 -","- C160 H164 N24 O25.68 -","- C320 H328 N48 O51.36 -","2","1","","David Sánchez-García; Brice Kauffmann; Takahiro Kawanami; Hirotaka Ihara; Makoto Takafuji; Marie-Hélène Delville; Ivan Huc","Nanosized Hybrid Oligoamide Foldamers: Aromatic Templates for the Folding of Multiple Aliphatic Units","Journal of the American Chemical Society","2009","131","","8642","8648","10.1021/ja9019758","","","1.5418","CuKα","","0.167","0.1407","","","0.3831","0.4045","","","","","","1.548","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104576","20.668","","24.598","","27.32","","79.04","","81.5","","79.64","","13320.5","","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C280 H303 N46 O47.5 S2 -","- C280 H303 N45 O47.5 S2 -","- C560 H606 N90 O95 S4 -","2","1","","David Sánchez-García; Brice Kauffmann; Takahiro Kawanami; Hirotaka Ihara; Makoto Takafuji; Marie-Hélène Delville; Ivan Huc","Nanosized Hybrid Oligoamide Foldamers: Aromatic Templates for the Folding of Multiple Aliphatic Units","Journal of the American Chemical Society","2009","131","","8642","8648","10.1021/ja9019758","","","0.8265","synchrotronradiaition","","0.1962","0.1842","","","0.4528","0.4677","","","","","","1.86","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104577","11.3839","0.0006","10.1664","0.0005","21.0984","0.0011","90","","101.554","0.002","90","","2392.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cyclic (Alkyl)(Amino)CarbeneAuCl","","","- C25 H37 Au Cl N -","- C25 H37 Au Cl N -","- C100 H148 Au4 Cl4 N4 -","4","1","","Xiaoming Zeng; Guido D. Frey; Rei Kinjo; Bruno Donnadieu; Guy Bertrand","Synthesis of a Simplified Version of Stable Bulky and Rigid Cyclic (Alkyl)(amino)carbenes, and Catalytic Activity of the Ensuing Gold(I) Complex in the Three-Component Preparation of 1,2-Dihydroquinoline Derivatives","Journal of the American Chemical Society","2009","131","","8690","8696","10.1021/ja902051m","","","0.71073","MoKα","","0.0391","0.0267","","","0.0518","0.0554","","","","","","1.026","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104578","9.7579","0.0017","12.115","0.002","14.384","0.003","90","","98.7","0.002","90","","1680.9","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-ethyl-1,2 dihydro-1-methyl-4-phenyl-2-propylquinoline","","","- C21 H24.5 N -","- C21 H24.5 N -","- C84 H98 N4 -","4","1","","Xiaoming Zeng; Guido D. Frey; Rei Kinjo; Bruno Donnadieu; Guy Bertrand","Synthesis of a Simplified Version of Stable Bulky and Rigid Cyclic (Alkyl)(amino)carbenes, and Catalytic Activity of the Ensuing Gold(I) Complex in the Three-Component Preparation of 1,2-Dihydroquinoline Derivatives","Journal of the American Chemical Society","2009","131","","8690","8696","10.1021/ja902051m","","","0.71073","MoKα","","0.082","0.066","","","0.1882","0.1997","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104579","12.4922","0.0007","7.4836","0.0003","18.1749","0.0007","90","","102.338","0.0014","90","","1659.87","0.13","173.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C16 H18 Cl F3 Ir N O -","- C16 H18 Cl F3 Ir N O -","- C64 H72 Cl4 F12 Ir4 N4 O4 -","4","1","","Ryohei Yamaguchi; Chikako Ikeda; Yoshinori Takahashi; Ken-ichi Fujita","Homogeneous Catalytic System for Reversible Dehydrogenation-Hydrogenation Reactions of Nitrogen Heterocycles with Reversible Interconversion of Catalytic Species","Journal of the American Chemical Society","2009","131","","8410","8412","10.1021/ja9022623","","","0.71075","MoKα","","","0.0369","","","","0.0446","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104580","38.156","0.008","11.041","0.002","14.632","0.003","90","","93.186","0.003","90","","6155","2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H68 B2 Cl4 O12 S4 Si2 -","- C54 H68 B2 Cl4 O12 S4 Si2 -","- C216 H272 B8 Cl16 O48 S16 Si8 -","4","0.5","","Wenjun Liu; Maren Pink; Dongwhan Lee","Conjugated Polymer Sensors Built on π-Extended Borasiloxane Cages","Journal of the American Chemical Society","2009","131","","8703","8707","10.1021/ja902333p","","","0.71073","MoKα","","0.0791","0.0619","","","0.1756","0.1892","","","","","","1.081","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4104581","38.237","0.002","38.237","0.002","11.1753","0.0012","90","","90","","90","","16339","2","203","2","273","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","bio-MOF-1","","","- C104 H64 N20 O25 Zn8 -","- C104 H64 N20 O25 Zn8 -","- C416 H256 N80 O100 Zn32 -","4","0.25","","Jihyun An; Steven J. Geib; Nathaniel L. Rosi","Cation-Triggered Drug Release from a Porous Zinc-Adeninate Metal-Organic Framework","Journal of the American Chemical Society","2009","131","","8376","8377","10.1021/ja902972w","","","0.71073","MoKα","","0.1267","0.094","","","0.2376","0.2501","","","","","","1.528","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104582","7.478","0.0003","15.0069","0.0005","24.6083","0.0009","90","","90","","90","","2761.58","0.18","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H42 O3 Si2 -","- C25 H42 O3 Si2 -","- C100 H168 O12 Si8 -","4","1","","Amir H. Hoveyda; Pamela J. Lombardi; Robert V. O'Brien,; Adil R. Zhugralin","H-Bonding as a Control Element in Stereoselective Ru-Catalyzed Olefin Metathesis","Journal of the American Chemical Society","2009","131","","8378","8379","10.1021/ja9030903","","","","","","","","","","","","","","","","","","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104583","10.8793","0.0019","17.55","0.003","11.456","0.002","90","","100.646","0.002","90","","2149.7","0.6","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O2 S -","- C25 H29 N2 O2 S -","- C100 H116 N8 O8 S4 -","4","2","","Amir H. Hoveyda; Pamela J. Lombardi; Robert V. O'Brien,; Adil R. Zhugralin","H-Bonding as a Control Element in Stereoselective Ru-Catalyzed Olefin Metathesis","Journal of the American Chemical Society","2009","131","","8378","8379","10.1021/ja9030903","","","","","","","","","","","","","","","","","","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104584","6.2315","0.0012","8.0843","0.0015","10.0707","0.0019","90","","92.451","0.003","90","","506.87","0.17","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 Br O2 -","- C10 H13 Br O2 -","- C20 H26 Br2 O4 -","2","1","","Sang Young Yun; Jun-Cheng Zheng; Daesung Lee","Stereoelectronic Effect for the Selectivity in C-H Insertion of Alkylidene Carbenes and Its Application to the Synthesis of Platensimycin","Journal of the American Chemical Society","2009","131","","8413","8415","10.1021/ja903526g","","","0.71073","MoKα","","0.0317","0.0273","","","0.0768","0.0831","","","","","","0.539","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104585","9.623","0.005","9.685","0.005","18.137","0.007","94.26","0.04","90.13","0.04","103.56","0.05","1638.3","1.4","113.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C7 H8 F N O2 S -","- C7 H8 F N O2 S -","- C56 H64 F8 N8 O16 S8 -","8","4","","Masahito Ochiai; Takuya Okada; Norihiro Tada; Akira Yoshimura; Kazunori Miyamoto; Motoo Shiro","Difluoro-λ3-bromane-Induced Hofmann Rearrangement of Sulfonamides: Synthesis of Sulfamoyl Fluorides","Journal of the American Chemical Society","2009","131","","8392","8393","10.1021/ja903544d","","","0.71075","MoKα","","","0.0699","","","","0.1909","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104586","15.33","0.003","15.326","0.003","15.626","0.003","90","","100.6","0.03","90","","3608.6","1.3","150","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 B F15 P -","- C38 H33 B F15 P -","- C152 H132 B4 F60 P4 -","4","1","","Meghan A. Dureen; Douglas W. Stephan","Terminal Alkyne Activation by Frustrated and Classical Lewis Acid/Phosphine Pairs","Journal of the American Chemical Society","2009","131","","8396","8397","10.1021/ja903650w","","","0.71073","MoKα","","0.0888","0.0439","","","0.0987","0.1181","","","","","","1.015","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104587","12.5867","0.0004","16.6533","0.0005","19.4595","0.0006","90","","100.549","0.001","90","","4010","0.2","296","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[tBu3PH][PhCCAl(C6F5)3]","","","- C41 H34.25 Al Cl0.5 F15 P -","- C41 H33 Al Cl0.5 F15 P -","- C164 H132 Al4 Cl2 F60 P4 -","4","1","","Meghan A. Dureen; Douglas W. Stephan","Terminal Alkyne Activation by Frustrated and Classical Lewis Acid/Phosphine Pairs","Journal of the American Chemical Society","2009","131","","8396","8397","10.1021/ja903650w","","","0.71073","MoKα","","0.0645","0.0406","","","0.097","0.1079","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104588","13.0438","0.0005","14.3208","0.0005","14.5274","0.0005","93.602","0.001","111.425","0.001","111.947","0.002","2279.78","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H32 B Br F15 P -","- C53 H32 B Br F15 P -","- C106 H64 B2 Br2 F30 P2 -","2","1","","Meghan A. Dureen; Douglas W. Stephan","Terminal Alkyne Activation by Frustrated and Classical Lewis Acid/Phosphine Pairs","Journal of the American Chemical Society","2009","131","","8396","8397","10.1021/ja903650w","","","0.71073","MoKα","","0.0757","0.0473","","","0.1097","0.1222","","","","","","1.019","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4104589","11.7981","0.0003","12.7991","0.0004","15.8684","0.0004","90.497","0.001","99.745","0.001","115.519","0.001","2122.25","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H27 Al Cl F15 P -","- C47.5 H27 Al Cl F15 P -","- C95 H54 Al2 Cl2 F30 P2 -","2","1","","Meghan A. Dureen; Douglas W. Stephan","Terminal Alkyne Activation by Frustrated and Classical Lewis Acid/Phosphine Pairs","Journal of the American Chemical Society","2009","131","","8396","8397","10.1021/ja903650w","","","0.71073","MoKα","","0.0554","0.0431","","","0.1152","0.1246","","","","","","1.004","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4104590","17.5355","0.0006","11.2841","0.0004","19.4421","0.0007","90","","103.055","0.002","90","","3747.6","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H21 B F15 P -","- C44 H21 B F15 P -","- C176 H84 B4 F60 P4 -","4","1","","Meghan A. Dureen; Douglas W. Stephan","Terminal Alkyne Activation by Frustrated and Classical Lewis Acid/Phosphine Pairs","Journal of the American Chemical Society","2009","131","","8396","8397","10.1021/ja903650w","","","0.71073","MoKα","","0.053","0.036","","","0.0862","0.0941","","","","","","1.037","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4104591","11.3593","0.0011","9.6066","0.0009","12.1731","0.0012","90","","109.728","0.002","90","","1250.4","0.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H35 N O3 -","- C30 H35 N O3 -","- C60 H70 N2 O6 -","2","1","","Robert B. Lettan; Chris V. Galliford; Chase C. Woodward; Karl A. Scheidt","Amide Enolate Additions to Acylsilanes: In Situ Generation of Unusual and Stereoselective Homoenolate Equivalents","Journal of the American Chemical Society","2009","131","","8805","8814","10.1021/ja808811u","","","0.71073","MoKα","","0.0427","0.0394","","","0.1054","0.109","","","","","","1.038","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104592","7.4375","0.0005","8.867","0.0006","14.4876","0.001","93.607","0.001","97.431","0.001","113.795","0.001","859.87","0.1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","4-Bromo-Lactam","","","- C17 H14 Br Cl N O2 -","- C17 H16 Br Cl2 N O2 -","- C34 H32 Br2 Cl4 N2 O4 -","2","1","","Robert B. Lettan; Chris V. Galliford; Chase C. Woodward; Karl A. Scheidt","Amide Enolate Additions to Acylsilanes: In Situ Generation of Unusual and Stereoselective Homoenolate Equivalents","Journal of the American Chemical Society","2009","131","","8805","8814","10.1021/ja808811u","","","0.71073","MoKα","","0.0433","0.0354","","","0.0916","0.097","","","","","","0.974","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104593","14.0078","0.0003","5.5406","0.0001","14.8626","0.0003","90","","117.008","0.001","90","","1027.71","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-bezoyl protected lactam","","","- C23 H17 Br2 N O3 -","- C23 H17 Br2 N O3 -","- C46 H34 Br4 N2 O6 -","2","1","","Robert B. Lettan; Chris V. Galliford; Chase C. Woodward; Karl A. Scheidt","Amide Enolate Additions to Acylsilanes: In Situ Generation of Unusual and Stereoselective Homoenolate Equivalents","Journal of the American Chemical Society","2009","131","","8805","8814","10.1021/ja808811u","","","0.71073","MoKα","","0.0437","0.0323","","","0.0712","0.1045","","","","","","1.047","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104594","8.4462","0.0009","22.7597","0.0018","11.106","0.0013","90","","91.095","0.013","90","","2134.5","0.4","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 F3 N5 O2 Pt -","- C18 H24 F3 N5 O2 Pt -","- C72 H96 F12 N20 O8 Pt4 -","4","1","","Ronald Lindner; Christoph Wagner; Dirk Steinborn","Synthesis of Trimethylplatinum(IV) Complexes with N,N- and N,O-Heterocyclic Carbene Ligands and Their Reductive C-C Elimination Reactions","Journal of the American Chemical Society","2009","131","","8861","8874","10.1021/ja901264t","","","0.71073","MoKα","","0.0665","0.0528","","","0.1206","0.13","","","","","","1.144","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104595","8.4637","0.0017","13.213","0.003","14.322","0.003","90","","95.57","0.02","90","","1594.1","0.6","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 N2 O2 Pt -","- C13 H24 N2 O2 Pt -","- C52 H96 N8 O8 Pt4 -","4","1","","Ronald Lindner; Christoph Wagner; Dirk Steinborn","Synthesis of Trimethylplatinum(IV) Complexes with N,N- and N,O-Heterocyclic Carbene Ligands and Their Reductive C-C Elimination Reactions","Journal of the American Chemical Society","2009","131","","8861","8874","10.1021/ja901264t","","","0.71073","MoKα","","0.0752","0.0662","","","0.1554","0.1626","","","","","","1.072","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104596","8.4311","0.0007","12.433","0.003","19.0694","0.0016","90","","96.35","0.007","90","","1986.7","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 B F4 N3 O Pt -","- C17 H22 B F4 N3 O Pt -","- C68 H88 B4 F16 N12 O4 Pt4 -","4","1","","Ronald Lindner; Christoph Wagner; Dirk Steinborn","Synthesis of Trimethylplatinum(IV) Complexes with N,N- and N,O-Heterocyclic Carbene Ligands and Their Reductive C-C Elimination Reactions","Journal of the American Chemical Society","2009","131","","8861","8874","10.1021/ja901264t","","","0.71073","MoKα","","0.0534","0.0406","","","0.0975","0.1056","","","","","","1.1","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104597","12.6603","0.0011","13.2237","0.0011","12.9492","0.0009","81.382","0.005","62.819","0.006","76.633","0.005","1873.8","0.3","100","1","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C78 H82 Cl2 F12 N8 O2 P2 Ru2 -","- C78 H82 Cl2 F12 N8 O2 P2 Ru2 -","- C78 H82 Cl2 F12 N8 O2 P2 Ru2 -","1","0.5","","Atanu Kumar Das; Biprajit Sarkar; Jan Fiedler; Stanislav Zális; Ingo Hartenbach; Sabine Strobel; Goutam Kumar Lahiri; Wolfgang Kaim","A Five-Center Redox System: Molecular Coupling of Two Noninnocent Imino-o-benzoquinonato-Ruthenium Functions through a π Acceptor Bridge","Journal of the American Chemical Society","2009","131","","8895","8902","10.1021/ja901746x","","","0.71073","MoKα","","0.1383","0.0656","","","0.1161","0.142","","","","","","1.012","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104598","6.753","0.006","22.44","0.02","10.447","0.009","90","","92.27","0.03","90","","1582","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 B N8 O2 -","- C13 H19 B N8 O2 -","- C52 H76 B4 N32 O8 -","4","1","","Huaping Li; Yunhua Xu; Corey V. Hoven; Chunzeng Li; Jung Hwa Seo; Guillermo C. Bazan","Molecular Design, Device Function and Surface Potential of Zwitterionic Electron Injection Layers","Journal of the American Chemical Society","2009","131","","8903","8912","10.1021/ja9018836","","","0.71073","MoKα","","0.4703","0.1622","","","0.2701","0.4084","","","","","","0.902","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104599","29.56","0.003","10.5832","0.001","21.554","0.002","90","","133.29","","90","","4908.1","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H52 F12 O16 Pt4 S4 -","- C36 H52 F12 O16 Pt4 S4 -","- C144 H208 F48 O64 Pt16 S16 -","4","0.5","","Nandita M. Weliange; Endre Szuromi; Paul R. Sharp","Proton-Catalyzed Oxo-Alkene Coupling: 2-Platinaoxetane Formation","Journal of the American Chemical Society","2009","131","","8736","8737","10.1021/ja902180k","","","0.71073","MoKα","","0.0899","0.0663","","","0.1508","0.1617","","","","","","1.069","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104600","9.5049","0.0011","13.4023","0.0014","15.0311","0.0018","81.229","0.005","72.047","0.005","79.572","0.005","1781.9","0.4","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H50 B2 N2 O2 Si4 -","- C30 H50 B2 N2 O2 Si4 -","- C60 H100 B4 N4 O4 Si8 -","2","1","","Holger Braunschweig; Thomas Herbst; Daniela Rais; Sundargopal Ghosh; Thomas Kupfer; Krzysztof Radacki; Andrew G. Crawford; Richard M. Ward; Todd B. Marder; Israel Fernández; Gernot Frenking","Borylene-Based Direct Functionalization of Organic Substrates: Synthesis, Characterization, and Photophysical Properties of Novel π-Conjugated Borirenes","Journal of the American Chemical Society","2009","131","","8989","8999","10.1021/ja902198z","","","0.71073","MoKα","","0.0529","0.0407","","","0.1065","0.1146","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104601","6.6063","0.0009","10.7222","0.0014","14.846","0.002","68.987","0.007","82.634","0.007","77.599","0.007","957.3","0.2","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H58 B2 N2 Si6 -","- C28 H58 B2 N2 Si6 -","- C28 H58 B2 N2 Si6 -","1","0.5","","Holger Braunschweig; Thomas Herbst; Daniela Rais; Sundargopal Ghosh; Thomas Kupfer; Krzysztof Radacki; Andrew G. Crawford; Richard M. Ward; Todd B. Marder; Israel Fernández; Gernot Frenking","Borylene-Based Direct Functionalization of Organic Substrates: Synthesis, Characterization, and Photophysical Properties of Novel π-Conjugated Borirenes","Journal of the American Chemical Society","2009","131","","8989","8999","10.1021/ja902198z","","","0.71073","MoKα","","0.0587","0.039","","","0.0943","0.1053","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104602","9.2297","0.0014","10.7223","0.0017","22.792","0.004","90","","90","","90","","2255.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 Br N O -","- C26 H26 Br N O -","- C104 H104 Br4 N4 O4 -","4","1","","Wei Liu; Di Chen; Xia-Zhen Zhu; Xiao-Long Wan; Xue-Long Hou","Highly Diastereo- and Enantioselective Pd-Catalyzed Cyclopropanation of Acyclic Amides with Substituted Allyl Carbonates","Journal of the American Chemical Society","2009","131","","8734","8735","10.1021/ja902410w","","","0.71073","MoKα","","0.0868","0.0386","","","0.0768","0.0874","","","","","","0.927","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104603","9.5787","0.0019","20.267","0.004","19.729","0.004","90","","101.78","0.03","90","","3749.4","1.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 B2 F30 K N3 -","- C38 B2 F30 K N3 -","- C152 B8 F120 K4 N12 -","4","1","","Arne Bernsdorf; Harald Brand; Robert Hellmann; Martin Köckerling; Axel Schulz; Alexander Villinger; Karsten Voss","Synthesis, Structure, and Bonding of Weakly Coordinating Anions Based on CN Adducts","Journal of the American Chemical Society","2009","131","","8958","8970","10.1021/ja902450b","","","0.71073","MoKα","","0.1376","0.0513","","","0.0949","0.1131","","","","","","0.927","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104604","9.3129","0.0019","12.772","0.003","23.118","0.005","78.87","0.03","83.65","0.03","88.61","0.03","2681.5","1.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H30 Ag B2 F30 N3 O3 -","- C50 H30 Ag B2 F30 N3 O3 -","- C100 H60 Ag2 B4 F60 N6 O6 -","2","1","","Arne Bernsdorf; Harald Brand; Robert Hellmann; Martin Köckerling; Axel Schulz; Alexander Villinger; Karsten Voss","Synthesis, Structure, and Bonding of Weakly Coordinating Anions Based on CN Adducts","Journal of the American Chemical Society","2009","131","","8958","8970","10.1021/ja902450b","","","0.71073","MoKα","","0.0358","0.031","","","0.0828","0.0853","","","","","","1.053","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104605","9.2529","0.0019","13.331","0.003","23.851","0.005","83.84","0.03","82.06","0.03","79.71","0.03","2856.6","1.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H32 B2 F30 Li N3 O4 -","- C54 H32 B2 F30 Li N3 O4 -","- C108 H64 B4 F60 Li2 N6 O8 -","2","1","","Arne Bernsdorf; Harald Brand; Robert Hellmann; Martin Köckerling; Axel Schulz; Alexander Villinger; Karsten Voss","Synthesis, Structure, and Bonding of Weakly Coordinating Anions Based on CN Adducts","Journal of the American Chemical Society","2009","131","","8958","8970","10.1021/ja902450b","","","0.71073","MoKα","","0.0819","0.044","","","0.1109","0.1223","","","","","","1.07","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104606","18.433","0.004","19.776","0.004","24.987","0.005","68.15","0.03","81.19","0.03","71.5","0.03","8011","4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C71.82 H28.38 B3 F45 K N3 O6.46 -","- C71.826 H28.383 B3 F45 K N3 O6.4565 -","- C287.304 H113.532 B12 F180 K4 N12 O25.826 -","4","2","","Arne Bernsdorf; Harald Brand; Robert Hellmann; Martin Köckerling; Axel Schulz; Alexander Villinger; Karsten Voss","Synthesis, Structure, and Bonding of Weakly Coordinating Anions Based on CN Adducts","Journal of the American Chemical Society","2009","131","","8958","8970","10.1021/ja902450b","","","0.71073","MoKα","","0.0851","0.0573","","","0.1654","0.1808","","","","","","1.099","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104607","14.916","0.008","18.504","0.009","20.187","0.009","110.387","0.014","105.512","0.011","106.621","0.015","4567","4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H35 B5 F60 N5 O1.5 -","- C90 H35 B5 F60 N5 O1.5 -","- C180 H70 B10 F120 N10 O3 -","2","1","","Arne Bernsdorf; Harald Brand; Robert Hellmann; Martin Köckerling; Axel Schulz; Alexander Villinger; Karsten Voss","Synthesis, Structure, and Bonding of Weakly Coordinating Anions Based on CN Adducts","Journal of the American Chemical Society","2009","131","","8958","8970","10.1021/ja902450b","","","0.71073","MoKα","","0.0562","0.0334","","","0.0734","0.0801","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104608","17.9158","0.0005","18.8215","0.0006","21.0662","0.0006","111.374","0.002","111.849","0.002","112.211","0.002","4938","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H40 B5 F60 K N4 O4 -","- C92 H40 B5 F60 K N4 O4 -","- C184 H80 B10 F120 K2 N8 O8 -","2","1","","Arne Bernsdorf; Harald Brand; Robert Hellmann; Martin Köckerling; Axel Schulz; Alexander Villinger; Karsten Voss","Synthesis, Structure, and Bonding of Weakly Coordinating Anions Based on CN Adducts","Journal of the American Chemical Society","2009","131","","8958","8970","10.1021/ja902450b","","","0.71073","MoKα","","0.0866","0.0464","","","0.1161","0.1292","","","","","","1.051","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104609","6.3338","0.0001","15.4559","0.0003","7.2741","0.0002","90","","108.775","0.001","90","","674.2","0.03","100","2","100","2","","","","","","","synthesized","4","P 1 21 1","P 2yb","4","2-Acetamido-1,6-anhydro-4-O-benzyl-2-deoxy-3-O- [(1R)-1-(methoxycarbonyl)ethyl]-β-D-glucopyranose","","","- C12 H19 N O7 -","- C12 H19 N O7 -","- C24 H38 N2 O14 -","2","1","","Mijoon Lee; Weilie Zhang; Dusan Hesek; Bruce C. Noll; Bill Boggess; Shahriar Mobashery","Bacterial AmpD at the Crossroads of Peptidoglycan Recycling and Manifestation of Antibiotic Resistance","Journal of the American Chemical Society","2009","131","","8742","8743","10.1021/ja9025566","","x-ray","1.54178","CuKα","","0.0264","0.0264","","","0.0684","0.0684","","","","","","1.06","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104610","6.5617","0.0004","7.4785","0.0006","11.1417","0.0007","80.146","0.001","75.201","0.003","89.762","0.003","520.36","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H34 Cl2 Pd2 -","- C22 H34 Cl2 Pd2 -","- C22 H34 Cl2 Pd2 -","1","0.5","","Marc D. Walter; Rebecca A. Moorhouse; Stephanie A. Urbin; Peter S. White; Maurice Brookhart","γ-Agostic Species as Key Intermediates in the Vinyl Addition Polymerization of Norbornene with Cationic (allyl)Pd Catalysts: Synthesis and Mechanistic Insights","Journal of the American Chemical Society","2009","131","","9055","9069","10.1021/ja9025598","","","0.71073","MoKα","","0.042","0.0373","","","0.0892","0.091","","","","","","1.064","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104611","9.867","0.0002","18.4716","0.0003","13.4204","0.0003","90","","92.169","0.001","90","","2444.24","0.08","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 F6 N2 Pd Sb -","- C21 H27 F6 N2 Pd Sb -","- C84 H108 F24 N8 Pd4 Sb4 -","4","1","","Marc D. Walter; Rebecca A. Moorhouse; Stephanie A. Urbin; Peter S. White; Maurice Brookhart","γ-Agostic Species as Key Intermediates in the Vinyl Addition Polymerization of Norbornene with Cationic (allyl)Pd Catalysts: Synthesis and Mechanistic Insights","Journal of the American Chemical Society","2009","131","","9055","9069","10.1021/ja9025598","","","0.71073","MoKα","","0.0565","0.0479","","","0.1262","0.1341","","","","","","1.037","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104612","14.5005","0.0004","9.7599","0.0003","15.6128","0.0005","90","","90","","90","","2209.58","0.12","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H29 F6 Pd Sb -","- C20 H29 F6 Pd Sb -","- C80 H116 F24 Pd4 Sb4 -","4","1","","Marc D. Walter; Rebecca A. Moorhouse; Stephanie A. Urbin; Peter S. White; Maurice Brookhart","γ-Agostic Species as Key Intermediates in the Vinyl Addition Polymerization of Norbornene with Cationic (allyl)Pd Catalysts: Synthesis and Mechanistic Insights","Journal of the American Chemical Society","2009","131","","9055","9069","10.1021/ja9025598","","","1.54178","CuKα","","0.0317","0.0291","","","0.0678","0.0691","","","","","","1.07","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104613","11.5854","0.0005","17.7525","0.0006","22.9995","0.0008","90","","90","","90","","4730.3","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H28 Cl3 F6 Pd Sb -","- C19 H28 Cl3 F6 Pd Sb -","- C152 H224 Cl24 F48 Pd8 Sb8 -","8","1","","Marc D. Walter; Rebecca A. Moorhouse; Stephanie A. Urbin; Peter S. White; Maurice Brookhart","γ-Agostic Species as Key Intermediates in the Vinyl Addition Polymerization of Norbornene with Cationic (allyl)Pd Catalysts: Synthesis and Mechanistic Insights","Journal of the American Chemical Society","2009","131","","9055","9069","10.1021/ja9025598","","","1.54178","CuKα","","0.0562","0.0483","","","0.1187","0.1234","","","","","","1.081","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104614","9.2362","0.0004","12.7024","0.0006","20.4499","0.0009","90","","98.137","0.003","90","","2375.07","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 F6 Pd Sb -","- C22 H35 F6 Pd Sb -","- C88 H140 F24 Pd4 Sb4 -","4","1","","Marc D. Walter; Rebecca A. Moorhouse; Stephanie A. Urbin; Peter S. White; Maurice Brookhart","γ-Agostic Species as Key Intermediates in the Vinyl Addition Polymerization of Norbornene with Cationic (allyl)Pd Catalysts: Synthesis and Mechanistic Insights","Journal of the American Chemical Society","2009","131","","9055","9069","10.1021/ja9025598","","","1.54178","CuKα","","0.0369","0.0307","","","0.0758","0.0788","","","","","","1.012","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104615","14.2449","0.0004","14.3354","0.0004","20.8288","0.0006","94.688","0.002","94.819","0.002","102.3","0.002","4119.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(K-crypt)3[Ge9-(C(CH3)=CHCH2CH3)]0.5[Ge9-(C(CH2CH3)=CHCH3)]0.5 0.4bz","","- C60.25 H116.1 Ge9 K3 N6 O18 -","- C60.254 H116.103 Ge9 K3 N6 O18 -","- C120.508 H232.206 Ge18 K6 N12 O36 -","2","1","","Michael W. Hull; Slavi C. Sevov","Functionalization of Nine-Atom Deltahedral Zintl Ions with Organic Substituents: Detailed Studies of the Reactions","Journal of the American Chemical Society","2009","131","","9026","9037","10.1021/ja9025962","","","0.71073","MoKα","","0.0654","0.0477","","","0.1123","0.1217","","","","","","1.095","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104616","14.9391","0.0003","25.7127","0.0005","19.0906","0.0004","90","","93.89","0.001","90","","7316.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(K-crypt)2[Ge9-(CH2CH(CH2)2)2] 3en","","- C50 H86 Ge9 K2 N10 O12 -","- C50 H86 Ge9 K2 N10 O12 -","- C200 H344 Ge36 K8 N40 O48 -","4","1","","Michael W. Hull; Slavi C. Sevov","Functionalization of Nine-Atom Deltahedral Zintl Ions with Organic Substituents: Detailed Studies of the Reactions","Journal of the American Chemical Society","2009","131","","9026","9037","10.1021/ja9025962","","","0.71073","MoKα","","0.0315","0.026","","","0.0627","0.0658","","","","","","1.079","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104617","12.22","0.002","11.51","0.002","15.874","0.003","90","","90","","90","","2232.7","0.7","253","2","253","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C20 H19 Au F6 N5 P -","- C22 H8 Au F6 N3 P -","- C88 H32 Au4 F24 N12 P4 -","4","0.5","","Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies","Journal of the American Chemical Society","2009","131","","9076","9085","10.1021/ja9027692","","","0.71073","MoKα","","0.0358","0.0317","","","0.0792","0.0808","","","","","","1.073","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104618","14.153","0.002","23.683","0.004","28.211","0.005","90","","90","","90","","9456","3","301","2","301","2","","","","","","","","6","I 21 21 21","I 2b 2c","24","","","","- C30 H35 Au F6 N3 P -","- C30 H35 Au F6 N3 P -","- C360 H420 Au12 F72 N36 P12 -","12","1.5","","Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies","Journal of the American Chemical Society","2009","131","","9076","9085","10.1021/ja9027692","","","0.71073","MoKα","","0.0367","0.0328","","","0.0917","0.0951","","","","","","1.086","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104619","12.332","0.002","7.8178","0.001","25.914","0.004","90","","102.07","0.02","90","","2443.1","0.7","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Au F6 N3 P -","- C26 H21 Au F6 N3 P -","- C104 H84 Au4 F24 N12 P4 -","4","1","","Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies","Journal of the American Chemical Society","2009","131","","9076","9085","10.1021/ja9027692","","","0.71073","MoKα","","0.0249","0.0224","","","0.0556","0.0567","","","","","","1.052","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104620","12.803","0.003","14.174","0.003","21.385","0.004","90","","92.98","0.02","90","","3875.5","1.4","301","2","301","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H39 Au Cl2 F6 N3 P -","- C39 H39 Au Cl2 F6 N3 P -","- C156 H156 Au4 Cl8 F24 N12 P4 -","4","1","","Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies","Journal of the American Chemical Society","2009","131","","9076","9085","10.1021/ja9027692","","","0.71073","MoKα","","0.0526","0.0382","","","0.095","0.1053","","","","","","1.059","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104621","20.382","0.004","13.797","0.003","17.645","0.003","90","","115.82","0.03","90","","4466.6","1.9","301","2","301","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Au2 F12 N6 P2 -","- C44 H36 Au2 F12 N6 P2 -","- C176 H144 Au8 F48 N24 P8 -","4","0.5","","Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies","Journal of the American Chemical Society","2009","131","","9076","9085","10.1021/ja9027692","","","0.71073","MoKα","","0.0572","0.0436","","","0.108","0.1141","","","","","","0.947","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104622","21.34","0.004","13.782","0.003","17.768","0.004","90","","119.07","0.03","90","","4567","2","301","2","301","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 Au2 F12 N6 P2 -","- C46 H40 Au2 F12 N6 P2 -","- C184 H160 Au8 F48 N24 P8 -","4","0.5","","Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies","Journal of the American Chemical Society","2009","131","","9076","9085","10.1021/ja9027692","","","0.71073","MoKα","","0.0465","0.0313","","","0.0804","0.087","","","","","","0.719","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104623","16.308","0.002","16.308","0.002","25.786","0.003","90","","90","","90","","6857.8","1.4","301","2","301","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C61 H70 Au2 Cl2 F12 N6 P2 -","- C61 H70 Au2 Cl2 F12 N6 P2 -","- C244 H280 Au8 Cl8 F48 N24 P8 -","4","0.5","","Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies","Journal of the American Chemical Society","2009","131","","9076","9085","10.1021/ja9027692","","","0.71073","MoKα","","0.032","0.0276","","","0.0792","0.0823","","","","","","1.128","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104624","12.17","0.002","21.315","0.004","27.64","0.005","90","","100.98","0.02","90","","7039","2","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H72 Au2 F12 N6 P2 -","- C62 H72 Au2 F12 N6 P2 -","- C248 H288 Au8 F48 N24 P8 -","4","1","","Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies","Journal of the American Chemical Society","2009","131","","9076","9085","10.1021/ja9027692","","","0.71073","MoKα","","0.0939","0.0503","","","0.1177","0.1294","","","","","","0.941","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104625","14.371","0.003","15.173","0.003","16.517","0.003","99.31","0.02","106.95","0.02","113.94","0.02","2982.8","1.4","301","2","301","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H45 Au2 Cl6 F12 N6 P2 -","- C53 H45 Au2 Cl6 F12 N6 P2 -","- C106 H90 Au4 Cl12 F24 N12 P4 -","2","1","","Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies","Journal of the American Chemical Society","2009","131","","9076","9085","10.1021/ja9027692","","","0.71073","MoKα","","0.0425","0.0346","","","0.0944","0.1005","","","","","","1.041","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104626","9.3374","0.0002","10.8037","0.0002","17.3964","0.0004","90","","95.327","0.001","90","","1747.34","0.06","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Cr N6 -","- C20 H12 Cr N6 -","- C80 H48 Cr4 N24 -","4","1","","Juan J. Novoa; Peter W. Stephens; Mahika Weerasekare; William W. Shum; Joel S. Miller","The Tetracyanopyrazinide Dimer Dianion, [TCNP]22-. 2-Electron 8-Center Bonding","Journal of the American Chemical Society","2009","131","","9070","9075","10.1021/ja902790q","powder diffraction","","0.69862","synchrotron","","","","","","","","","","2.355","","","","","","","has coordinates,has Fobs","178792","2020-10-21","18:00:00",""
"4104627","11.859","0.005","18.165","0.007","11.25","0.004","90","","90","","90","","2423.5","1.6","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","open-1a","","","- C27 H39 B N2 O -","- C27 H39 B N2 O -","- C108 H156 B4 N8 O4 -","4","1","","Oishi, Shunsuke; Yoshimoto, Junichi; Saito, Susumu","Importance of Open Structure of Nonmetal Based Catalyst in Hydrogen Bond Promoted Methanolysis of Activated Amide: Structure Dynamics between Monomer and Dimer Enabling Recombinant Covalent, Dative, and Hydrogen Bonds","Journal of the American Chemical Society","2009","131","25","8748","8749","10.1021/ja9029494","","","0.7107","MoKα","","0.1163","0.0657","","","0.1524","0.1755","","","","","","0.867","","","","has coordinates,has disorder","210885","2020-10-21","18:00:00",""
"4104628","10.165","0.005","10.657","0.005","15.576","0.007","91.12","0.006","96.552","0.006","112.679","0.007","1543","1.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","closed-1b","","","- C16 H20 B Cl N2 -","- C16 H20 B Cl N2 -","- C64 H80 B4 Cl4 N8 -","4","2","","Oishi, Shunsuke; Yoshimoto, Junichi; Saito, Susumu","Importance of Open Structure of Nonmetal Based Catalyst in Hydrogen Bond Promoted Methanolysis of Activated Amide: Structure Dynamics between Monomer and Dimer Enabling Recombinant Covalent, Dative, and Hydrogen Bonds","Journal of the American Chemical Society","2009","131","25","8748","8749","10.1021/ja9029494","","","0.7107","MoKα","","0.1832","0.0916","","","0.1889","0.2461","","","","","","1.04","","","","has coordinates","210885","2020-10-21","18:00:00",""
"4104629","9.3384","0.0002","18.7078","0.0003","19.0897","0.0003","90","","103.963","0.001","90","","3236.45","0.1","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H48 N3 P Si -","- C33 H48 N3 P Si -","- C132 H192 N12 P4 Si4 -","4","1","","David Gau; Tsuyoshi Kato; Nathalie Saffon-Merceron; Fernando P. Cossío; Antoine Baceiredo","Stable Phosphonium Sila-ylide with Reactivity as a Sila-Wittig Reagent","Journal of the American Chemical Society","2009","131","","8762","8763","10.1021/ja903540b","","","0.71073","MoKα","","0.0806","0.0462","","","0.1033","0.117","","","","","","1.023","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104630","11.4815","0.0007","19.0392","0.0012","18.8348","0.0012","90","","98.605","0.004","90","","4070.9","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H60 N3 O P Si -","- C43 H60 N3 O P Si -","- C172 H240 N12 O4 P4 Si4 -","4","1","","David Gau; Tsuyoshi Kato; Nathalie Saffon-Merceron; Fernando P. Cossío; Antoine Baceiredo","Stable Phosphonium Sila-ylide with Reactivity as a Sila-Wittig Reagent","Journal of the American Chemical Society","2009","131","","8762","8763","10.1021/ja903540b","","","0.71073","MoKα","","0.1625","0.0565","","","0.1081","0.1433","","","","","","0.925","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104631","11.9212","0.0014","13.8989","0.0016","15.3715","0.0018","86.97","0.002","84.26","0.002","84.825","0.002","2521.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","iPr3SiPNb[Np]Ar)3","","","- C48 H81 N3 Nb P Si -","- C48 H81 N3 Nb P Si -","- C96 H162 N6 Nb2 P2 Si2 -","2","1","","Nicholas A. Piro; Christopher C. Cummins","An Unusual P-P Double Bond Formed via Phospha-Wittig Transformation of a Terminal PO Complex","Journal of the American Chemical Society","2009","131","","8764","8765","10.1021/ja903860k","","","0.71073","MoKα","","0.07","0.0428","","","0.093","0.1046","","","","","","1.027","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104632","11.4081","0.001","15.4385","0.0014","16.768","0.0015","65.237","0.001","72.983","0.002","75.312","0.002","2534.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","iPr3SiPPMo(N[tBu]Ar)3","","","- C48 H82 Mo N3 P2 Si -","- C48 H82 Mo N3 P2 Si -","- C96 H164 Mo2 N6 P4 Si2 -","2","1","","Nicholas A. Piro; Christopher C. Cummins","An Unusual P-P Double Bond Formed via Phospha-Wittig Transformation of a Terminal PO Complex","Journal of the American Chemical Society","2009","131","","8764","8765","10.1021/ja903860k","","","0.71073","MoKα","","0.0528","0.0342","","","0.0734","0.0816","","","","","","1.013","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104633","17.287","0.005","8.552","0.002","11.053","0.003","90","","91.16","0.07","90","","1633.7","0.8","128","2","128","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 I N2 -","- C18 H17 I N2 -","- C72 H68 I4 N8 -","4","1","","P. Andrew Evans; Elizabeth A. Clizbe","Unlocking Ylide Reactivity in the Metal-Catalyzed Allylic Substitution Reaction: Stereospecific Construction of Primary Allylic Amines with Aza-Ylides","Journal of the American Chemical Society","2009","131","","8722","8723","10.1021/ja9041302","","","0.71073","MoKα","","0.0808","0.0405","","","0.0677","0.0755","","","","","","0.958","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104634","7.812","0.002","5.9774","0.0019","15.107","0.005","90","","100.213","0.006","90","","694.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 Br O3 -","- C15 H15 Br O3 -","- C30 H30 Br2 O6 -","2","1","","Ting Yang; Alessandro Ferrali; Filippo Sladojevich; Leonie Campbell; Darren J. Dixon","Brønsted Base/Lewis Acid Cooperative Catalysis in the Enantioselective Conia-Ene Reaction","Journal of the American Chemical Society","2009","131","","9140","9141","10.1021/ja9004859","","","0.71073","MoKα","","0.0446","0.0368","","","0.0812","0.104","","","","","","1.008","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104635","9.5181","0.0017","8.1566","0.0016","20.525","0.004","90","","101.954","0.004","90","","1558.9","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H15 Br N2 O3 S -","- C15 H15 Br N2 O3 S -","- C60 H60 Br4 N8 O12 S4 -","4","2","","Ting Yang; Alessandro Ferrali; Filippo Sladojevich; Leonie Campbell; Darren J. Dixon","Brønsted Base/Lewis Acid Cooperative Catalysis in the Enantioselective Conia-Ene Reaction","Journal of the American Chemical Society","2009","131","","9140","9141","10.1021/ja9004859","","","0.71073","MoKα","","0.0511","0.0384","","","0.0695","0.073","","","","","","0.895","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104636","9.0724","0.0005","16.39","0.0008","9.9887","0.0005","90","","115.326","0.0005","90","","1342.53","0.12","173.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H34 Mo O2 Si -","- C30 H34 Mo O2 Si -","- C60 H68 Mo2 O4 Si2 -","2","1","","Mako Yabe-Yoshida; Chizuko Kabuto; Kuninobu Kabuto; Eunsang Kwon; Hiroyuki Sakaba","η3-Silapropargyl/Alkynylsilyl Molybdenum Complexes: Synthesis, Structure, and Reactivity toward Methanol","Journal of the American Chemical Society","2009","131","","9138","9139","10.1021/ja9005833","","","0.7107","MoKα","","","0.0307","","","","0.0747","","","","","","0.826","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104637","8.962","0.002","17.016","0.004","17.214","0.005","90","","90","","90","","2625.1","1.1","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 Mo O2 Si -","- C29 H32 Mo O2 Si -","- C116 H128 Mo4 O8 Si4 -","4","1","","Mako Yabe-Yoshida; Chizuko Kabuto; Kuninobu Kabuto; Eunsang Kwon; Hiroyuki Sakaba","η3-Silapropargyl/Alkynylsilyl Molybdenum Complexes: Synthesis, Structure, and Reactivity toward Methanol","Journal of the American Chemical Society","2009","131","","9138","9139","10.1021/ja9005833","","","0.7107","MoKα","","","0.028","","","","0.0488","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104638","11.3091","0.0008","14.9091","0.0011","18.1392","0.0011","100","0.003","96.53","0.003","99.907","0.003","2934.4","0.4","173.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 Mo O3 Si -","- C31 H38 Mo O3 Si -","- C124 H152 Mo4 O12 Si4 -","4","2","","Mako Yabe-Yoshida; Chizuko Kabuto; Kuninobu Kabuto; Eunsang Kwon; Hiroyuki Sakaba","η3-Silapropargyl/Alkynylsilyl Molybdenum Complexes: Synthesis, Structure, and Reactivity toward Methanol","Journal of the American Chemical Society","2009","131","","9138","9139","10.1021/ja9005833","","","0.7107","MoKα","","","0.0543","","","","0.1834","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104639","10.806","0.003","15.449","0.004","16.924","0.004","90","","104.841","0.0009","90","","2731.1","1.2","173.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Mo O3 Si -","- C30 H36 Mo O3 Si -","- C120 H144 Mo4 O12 Si4 -","4","1","","Mako Yabe-Yoshida; Chizuko Kabuto; Kuninobu Kabuto; Eunsang Kwon; Hiroyuki Sakaba","η3-Silapropargyl/Alkynylsilyl Molybdenum Complexes: Synthesis, Structure, and Reactivity toward Methanol","Journal of the American Chemical Society","2009","131","","9138","9139","10.1021/ja9005833","","","0.7107","MoKα","","","0.0374","","","","0.1111","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104640","42.8434","0.0003","42.8434","0.0003","42.8434","0.0003","90","","90","","90","","78641.5","1","173","2","173","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C12 H6 O5 Zn -","- C12 H4 O5 Zn -","- C1152 H384 O480 Zn96 -","96","0.5","","Dan Zhao; Daqiang Yuan; Daofeng Sun; Hong-Cai Zhou","Stabilization of Metal-Organic Frameworks with High Surface Areas by the Incorporation of Mesocavities with Microwindows","Journal of the American Chemical Society","2009","131","","9186","9188","10.1021/ja901109t","","","1.54178","CuKα","","0.0509","0.0501","","","0.1588","0.16","","","","","","1.115","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104641","42.7958","0.0006","42.7958","0.0006","42.7958","0.0006","90","","90","","90","","78379.7","1.9","173","2","173","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C12 H6 Cu O5 -","- C12 H4 Cu O5 -","- C1152 H384 Cu96 O480 -","96","0.5","","Dan Zhao; Daqiang Yuan; Daofeng Sun; Hong-Cai Zhou","Stabilization of Metal-Organic Frameworks with High Surface Areas by the Incorporation of Mesocavities with Microwindows","Journal of the American Chemical Society","2009","131","","9186","9188","10.1021/ja901109t","","","1.54178","CuKα","","0.0444","0.0423","","","0.1176","0.1187","","","","","","1.122","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104642","49.112","0.004","49.112","0.004","49.112","0.004","90","","90","","90","","118458","17","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C48 H27 Cu3 N O15 -","- C48 H21 Cu3 N O15 -","- C1536 H672 Cu96 N32 O480 -","32","0.166667","","Dan Zhao; Daqiang Yuan; Daofeng Sun; Hong-Cai Zhou","Stabilization of Metal-Organic Frameworks with High Surface Areas by the Incorporation of Mesocavities with Microwindows","Journal of the American Chemical Society","2009","131","","9186","9188","10.1021/ja901109t","","","0.4428","synchrotronradiation","","0.2442","0.1204","","","0.3423","0.3864","","","","","","1.104","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104643","8.0087","0.0015","11.234","0.003","30.148","0.004","90","","90","","90","","2712.4","1","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl O3 S -","- C13 H15 Cl O3 S -","- C104 H120 Cl8 O24 S8 -","8","2","","Wan Pyo Hong; Ahmad El-Awa; Philip L. Fuchs","Reagent-Directed Allylic Quadraselection. Chemoselective Anti- and Syn-Lawton SN2' Methylation of Seven-Membered Epoxyvinylsulfones","Journal of the American Chemical Society","2009","131","","9150","9151","10.1021/ja9017557","","","1.54184","Cu-Kα","","0.093","0.083","","","0.22","0.233","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104644","12.0832","0.0003","12.9599","0.0002","20.2495","0.0006","90","","95.4158","0.0008","90","","3156.86","0.13","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H48 O4 S Si2 -","- C27 H48 O4 S Si2 -","- C108 H192 O16 S4 Si8 -","4","2","","Wan Pyo Hong; Ahmad El-Awa; Philip L. Fuchs","Reagent-Directed Allylic Quadraselection. Chemoselective Anti- and Syn-Lawton SN2' Methylation of Seven-Membered Epoxyvinylsulfones","Journal of the American Chemical Society","2009","131","","9150","9151","10.1021/ja9017557","","","0.71073","MO-Kα","","0.088","0.044","","","0.078","0.089","","","","","","1.004","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4104645","6.4091","0.0005","7.7404","0.0007","12.1635","0.0012","87.745","0.004","86.296","0.005","67.756","0.005","557.27","0.09","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C21 H34 O4 S Si -","- C21 H34 O4 S Si -","- C21 H34 O4 S Si -","1","1","","Wan Pyo Hong; Ahmad El-Awa; Philip L. Fuchs","Reagent-Directed Allylic Quadraselection. Chemoselective Anti- and Syn-Lawton SN2' Methylation of Seven-Membered Epoxyvinylsulfones","Journal of the American Chemical Society","2009","131","","9150","9151","10.1021/ja9017557","","","0.71073","MO-Kα","","0.05","0.041","","","0.095","0.099","","","","","","1.088","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4104646","7.8455","0.0007","12.3519","0.001","12.7612","0.0012","102.975","0.004","90.66","0.005","106.971","0.004","1148.65","0.18","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H34 O4 S Si -","- C21 H34 O4 S Si -","- C42 H68 O8 S2 Si2 -","2","1","","Wan Pyo Hong; Ahmad El-Awa; Philip L. Fuchs","Reagent-Directed Allylic Quadraselection. Chemoselective Anti- and Syn-Lawton SN2' Methylation of Seven-Membered Epoxyvinylsulfones","Journal of the American Chemical Society","2009","131","","9150","9151","10.1021/ja9017557","","","0.71073","MO-Kα","","0.08","0.046","","","0.108","0.119","","","","","","1.034","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4104647","10.4714","0.0009","8.9475","0.0006","13.4056","0.0016","90","","111.345","0.005","90","","1169.85","0.19","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H34 O4 S Si -","- C21 H34 O4 S Si -","- C42 H68 O8 S2 Si2 -","2","1","","Wan Pyo Hong; Ahmad El-Awa; Philip L. Fuchs","Reagent-Directed Allylic Quadraselection. Chemoselective Anti- and Syn-Lawton SN2' Methylation of Seven-Membered Epoxyvinylsulfones","Journal of the American Chemical Society","2009","131","","9150","9151","10.1021/ja9017557","","","0.71073","MO-Kα","","0.058","0.049","","","0.123","0.129","","","","","","1.035","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4104648","10.5248","0.0013","11.1963","0.0006","11.4028","0.0006","90","","90","","90","","1343.69","0.19","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 S -","- C14 H18 O3 S -","- C56 H72 O12 S4 -","4","1","","Wan Pyo Hong; Ahmad El-Awa; Philip L. Fuchs","Reagent-Directed Allylic Quadraselection. Chemoselective Anti- and Syn-Lawton SN2' Methylation of Seven-Membered Epoxyvinylsulfones","Journal of the American Chemical Society","2009","131","","9150","9151","10.1021/ja9017557","","","0.71073","MO-Kα","","0.043","0.033","","","0.077","0.08","","","","","","1.07","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4104649","8.0121","0.0005","12.8257","0.0019","12.9887","0.0013","90","","94.926","0.007","90","","1329.8","0.3","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O3 S -","- C14 H18 O3 S -","- C56 H72 O12 S4 -","4","1","","Wan Pyo Hong; Ahmad El-Awa; Philip L. Fuchs","Reagent-Directed Allylic Quadraselection. Chemoselective Anti- and Syn-Lawton SN2' Methylation of Seven-Membered Epoxyvinylsulfones","Journal of the American Chemical Society","2009","131","","9150","9151","10.1021/ja9017557","","","0.71073","MO-Kα","","0.087","0.056","","","0.096","0.105","","","","","","1.094","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4104650","14.709","0.004","15.587","0.003","15.703","0.003","75.603","0.007","65.44","0.008","78.677","0.009","3153.9","1.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Ce@C82(Ad)-II","Ce@C82(Ad)-II","","- C109 H50 Ce N S2 -","- C109 H50 Ce N S2 -","- C218 H100 Ce2 N2 S4 -","2","1","","Yuta Takano; Motoki Aoyagi; Michio Yamada; Hidefumi Nikawa; Zdenek Slanina; Naomi Mizorogi; Midori O. Ishitsuka; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Tatsuhisa Kato; Shigeru Nagase","Anisotropic Magnetic Behavior of Anionic Ce@C82 Carbene Adducts","Journal of the American Chemical Society","2009","131","","9340","9346","10.1021/ja902106a","","x-ray","0.71075","MoKα","","0.0715","0.0593","","","0.147","0.1539","","","","","","1.023","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104651","15.171","0.002","9.7939","0.0014","19.8","0.003","90","","107.199","0.003","90","","2810.4","0.7","273","2","273","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C63 H56 Al2 N2 O4 S2 -","- C63 H53 Al2 N2 O4 S2 -","- C126 H106 Al4 N4 O8 S4 -","2","0.5","","Masato Ohashi; Osamu Kishizaki; Haruo Ikeda; Sensuke Ogoshi","Ni(0)-Catalyzed Formation of Azaaluminacyclopentenes via Azanickelacyclopentenes: A Unique Nickel/Aluminum Double Transmetalation Reaction","Journal of the American Chemical Society","2009","131","","9160","9161","10.1021/ja903175g","","","0.71075","MoKα","","0.1018","0.0685","","","0.1801","0.2089","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104652","11.6351","0.0004","17.7899","0.0006","12.3513","0.0005","90","","105.272","0.0012","90","","2466.28","0.16","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H54 N2 O4 S2 Zn2 -","- C58 H54 N2 O4 S2 Zn2 -","- C116 H108 N4 O8 S4 Zn4 -","2","0.5","","Masato Ohashi; Osamu Kishizaki; Haruo Ikeda; Sensuke Ogoshi","Ni(0)-Catalyzed Formation of Azaaluminacyclopentenes via Azanickelacyclopentenes: A Unique Nickel/Aluminum Double Transmetalation Reaction","Journal of the American Chemical Society","2009","131","","9160","9161","10.1021/ja903175g","","","0.71075","MoKα","","0.0912","0.0436","","","0.1024","0.1352","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104653","20.745","0.003","20.745","0.003","20.745","0.003","90","","90","","90","","8928","2","190","2","190","2","","","","","","","","6","I 2 3","I 2 2 3","197","","tris(<i>N</i>,<i>N</i>-dimethyl-<i>N'</i>,<i>N''</i>- diphenylguanidinato-κ^2^<i>N'</i>,<i>N''</i>)iridium(IV) hexafluorophosphate","","- C45 H48 F6 Ir N9 P -","- C45 H48 F6 Ir N9 P -","- C360 H384 F48 Ir8 N72 P8 -","8","0.333333","","Jan-Uwe Rohde; Wei-Tsung Lee","Stabilization of Iridium(IV) by Monoanionic Dialkyldiarylguanidinato Ligands","Journal of the American Chemical Society","2009","131","","9162","9163","10.1021/ja9033445","","","0.71073","MoKα","","0.0403","0.0312","","","0.0639","0.0674","","","","","","1.126","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104654","14.6514","0.0003","8.15258","0.00015","27.4291","0.0005","90","","105.491","","90","","3157.3","0.1","93.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15 Br N2 O3 -","- C17 H15 Br N2 O3 -","- C136 H120 Br8 N16 O24 -","8","4","","Yuko Kato; Makoto Furutachi; Zhihua Chen; Harunobu Mitsunuma; Shigeki Matsunaga; Masakatsu Shibasaki","A Homodinuclear Mn(III)2-Schiff Base Complex for Catalytic Asymmetric 1,4-Additions of Oxindoles to Nitroalkenes","Journal of the American Chemical Society","2009","131","","9168","9169","10.1021/ja903566u","","","1.54187","CuKα","","","0.0524","","","","0.1325","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104655","8.2712","0.0003","22.5001","0.0007","10.3639","0.0005","90","","112.117","0.005","90","","1786.83","0.14","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 F6 N2 O6 S2 -","- C12 H16 F6 N2 O6 S2 -","- C48 H64 F24 N8 O24 S8 -","4","1","","Michael J. Corr; Kirsty F. Gibson; Alan R. Kennedy; John A. Murphy","Amidine Dications: Isolation and [Fe]-Hydrogenase-Related Hydrogenation","Journal of the American Chemical Society","2009","131","","9174","9175","10.1021/ja9035847","","","0.71073","MoKα","","0.0563","0.032","","","0.0699","0.0736","","","","","","0.952","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104656","9.3365","0.0008","14.1848","0.0012","13.2684","0.001","90","","95.355","0.008","90","","1749.5","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 F6 N3 O6 S2 -","- C11 H15 F6 N3 O6 S2 -","- C44 H60 F24 N12 O24 S8 -","4","1","","Michael J. Corr; Kirsty F. Gibson; Alan R. Kennedy; John A. Murphy","Amidine Dications: Isolation and [Fe]-Hydrogenase-Related Hydrogenation","Journal of the American Chemical Society","2009","131","","9174","9175","10.1021/ja9035847","","","0.71073","MoKα","","0.0474","0.0389","","","0.1072","0.111","","","","","","1.113","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104657","8.0514","0.0002","11.9665","0.0002","29.3775","0.0006","90","","90","","90","","2830.44","0.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H35 N O4 -","- C35 H35 N O4 -","- C140 H140 N4 O16 -","4","1","","Noah Z. Burns; Irina N. Krylova; Rami N. Hannoush; Phil S. Baran","Scalable Total Synthesis and Biological Evaluation of Haouamine A and Its Atropisomer","Journal of the American Chemical Society","2009","131","","9172","9173","10.1021/ja903745s","","","1.54178","CuKα","","0.0323","0.0298","","","0.075","0.0769","","","","","","1.056","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104658","7.682","0.0002","16.375","0.0005","10.8454","0.0003","90","","93.972","0.002","90","","1361","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H35 N O4 -","- C35 H35 N O4 -","- C70 H70 N2 O8 -","2","1","","Noah Z. Burns; Irina N. Krylova; Rami N. Hannoush; Phil S. Baran","Scalable Total Synthesis and Biological Evaluation of Haouamine A and Its Atropisomer","Journal of the American Chemical Society","2009","131","","9172","9173","10.1021/ja903745s","","","1.54178","CuKα","","0.0303","0.0282","","","0.075","0.0772","","","","","","1.021","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104659","10.538","0.007","28.664","0.019","9.364","0.006","90","","108.383","0.01","90","","2684","3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 N O4 -","- C35 H33 N O4 -","- C140 H132 N4 O16 -","4","1","","Noah Z. Burns; Irina N. Krylova; Rami N. Hannoush; Phil S. Baran","Scalable Total Synthesis and Biological Evaluation of Haouamine A and Its Atropisomer","Journal of the American Chemical Society","2009","131","","9172","9173","10.1021/ja903745s","","","0.71073","MoKα","","0.0604","0.0474","","","0.1235","0.1348","","","","","","1.044","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104660","17.58","0.002","22.673","0.003","27.942","0.004","113.887","0.002","95.475","0.002","105.025","0.002","9579","2","129","2","129","2","","","","","","","","6","P 1","P 1","1","","","","- C19 H19 Br N2 O2 S -","- C19 H19 Br N2 O2 S -","- C380 H380 Br20 N40 O40 S20 -","20","20","","Florian Kleinbeck; F. Dean Toste","Gold(I)-Catalyzed Enantioselective Ring Expansion of Allenylcyclopropanols","Journal of the American Chemical Society","2009","131","","9178","9179","10.1021/ja904055z","","","0.71073","MoKα","","0.1367","0.0659","","","0.1312","0.1535","","","","","","1.146","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104661","12.29","0.002","16.966","0.003","17.644","0.003","90","","93.728","0.004","90","","3671.2","1.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","holkd22","","","- C78 H126 Co2 N6 O2 -","- C78 H126 Co2 N6 O2 -","- C156 H252 Co4 N12 O4 -","2","0.5","","Keying Ding; Aaron W. Pierpont; William W. Brennessel; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Thomas R. Cundari; Eckhard Bill; Patrick L. Holland","Cobalt-Dinitrogen Complexes with Weakened N-N Bonds","Journal of the American Chemical Society","2009","131","","9471","9472","10.1021/ja808783u","","","0.71073","MoKα","","0.0623","0.0385","","","0.0953","0.106","","","","","","1.011","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104662","12.6815","0.0011","12.856","0.0011","24.425","0.002","88.476","0.002","88.613","0.002","63.648","0.001","3566.7","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","holph04","","","- C70 H106 Co2 N6 Na2 -","- C70 H106 Co2 N6 Na2 -","- C140 H212 Co4 N12 Na4 -","2","1","","Keying Ding; Aaron W. Pierpont; William W. Brennessel; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Thomas R. Cundari; Eckhard Bill; Patrick L. Holland","Cobalt-Dinitrogen Complexes with Weakened N-N Bonds","Journal of the American Chemical Society","2009","131","","9471","9472","10.1021/ja808783u","","","0.71073","MoKα","","0.1933","0.0894","","","0.195","0.2217","","","","","","0.967","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104663","22.557","0.004","21.451","0.004","15.372","0.003","90","","100.242","0.002","90","","7320","2","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","holkd14","","","- C70 H106 Co2 K2 N6 -","- C70 H106 Co2 K2 N6 -","- C280 H424 Co8 K8 N24 -","4","0.5","","Keying Ding; Aaron W. Pierpont; William W. Brennessel; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Thomas R. Cundari; Eckhard Bill; Patrick L. Holland","Cobalt-Dinitrogen Complexes with Weakened N-N Bonds","Journal of the American Chemical Society","2009","131","","9471","9472","10.1021/ja808783u","","","0.71073","MoKα","","0.0832","0.0454","","","0.097","0.1061","","","","","","1.022","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104664","13.085","0.001","13.9206","0.0011","22.1213","0.0018","75.075","0.001","73.717","0.001","68.526","0.001","3544.8","0.5","193","2","193","2","","","","","","","","4","P -1","-P 1","2","holjs14","","","- C72.5 H112 Fe2 N6 -","- C72.5 H112 Fe2 N6 -","- C145 H224 Fe4 N12 -","2","1","","Keying Ding; Aaron W. Pierpont; William W. Brennessel; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Thomas R. Cundari; Eckhard Bill; Patrick L. Holland","Cobalt-Dinitrogen Complexes with Weakened N-N Bonds","Journal of the American Chemical Society","2009","131","","9471","9472","10.1021/ja808783u","","","0.71073","MoKα","","0.1103","0.075","","","0.1412","0.154","","","","","","1.131","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104665","25.993","0.006","25.993","0.006","31.681","0.007","90","","90","","90","","21405","8","80","2","80","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C68 H81 N24 O42.82 Pd3 -","- C68 H81 N24.668 O45.292 Pd3 -","- C544 H648 N197.344 O362.336 Pd24 -","8","0.5","","Jeremy K. Klosterman; Munetaka Iwamura; Tahei Tahara; Makoto Fujita","Energy Transfer in a Mechanically Trapped Exciplex","Journal of the American Chemical Society","2009","131","","9478","9479","10.1021/ja901674g","","","0.71073","MoKα","","0.1058","0.081","","","0.2147","0.2349","","","","","","1.1","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104666","13.1047","0.0005","13.3397","0.0005","26.0901","0.0009","90","","90.013","0.001","90","","4560.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H73 N6 O12 Tb -","- C38 H73 N6 O12 Tb -","- C152 H292 N24 O48 Tb4 -","4","1","","Morgan L. Cable; James P. Kirby; Dana J. Levine; Micah J. Manary; Harry B. Gray; Adrian Ponce","Detection of Bacterial Spores with Lanthanide-Macrocycle Binary Complexes","Journal of the American Chemical Society","2009","131","","9562","9570","10.1021/ja902291v","","","0.71073","MoKα","","0.09","0.0384","","","0.0639","0.0717","","","","","","1.077","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4104667","13.1473","0.0004","13.2269","0.0004","26.2248","0.0008","90","","90.054","0.001","90","","4560.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H72.25 Eu N6 O12 -","- C38 H72.37 Eu N6 O12 -","- C152 H289.48 Eu4 N24 O48 -","4","1","","Morgan L. Cable; James P. Kirby; Dana J. Levine; Micah J. Manary; Harry B. Gray; Adrian Ponce","Detection of Bacterial Spores with Lanthanide-Macrocycle Binary Complexes","Journal of the American Chemical Society","2009","131","","9562","9570","10.1021/ja902291v","","","0.71073","MoKα","","0.1187","0.0437","","","0.075","0.0854","","","","","","1.004","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4104668","13.1742","0.0004","13.186","0.0004","26.113","0.0008","90","","90.372","0.001","90","","4536.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H71 Dy N6 O12 -","- C38 H71 Dy N6 O12 -","- C152 H284 Dy4 N24 O48 -","4","1","","Morgan L. Cable; James P. Kirby; Dana J. Levine; Micah J. Manary; Harry B. Gray; Adrian Ponce","Detection of Bacterial Spores with Lanthanide-Macrocycle Binary Complexes","Journal of the American Chemical Society","2009","131","","9562","9570","10.1021/ja902291v","","","0.71073","MoKα","","0.0995","0.0408","","","0.0721","0.0806","","","","","","1.029","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4104669","13.0658","0.0004","13.4504","0.0004","26.1778","0.0007","90","","90.324","0.001","90","","4600.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37.75 H71 N6 O11.25 Sm -","- C37.731 H71 N6 O11.269 Sm -","- C150.924 H284 N24 O45.076 Sm4 -","4","1","","Morgan L. Cable; James P. Kirby; Dana J. Levine; Micah J. Manary; Harry B. Gray; Adrian Ponce","Detection of Bacterial Spores with Lanthanide-Macrocycle Binary Complexes","Journal of the American Chemical Society","2009","131","","9562","9570","10.1021/ja902291v","","","0.71073","MoKα","","0.0997","0.0422","","","0.0734","0.0821","","","","","","1.124","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4104670","10.4063","0.0004","15.4367","0.0005","27.923","0.001","90","","90","","90","","4485.5","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H23 B10 Cl Pd S2 -","- C16 H23 B10 Cl Pd S2 -","- C128 H184 B80 Cl8 Pd8 S16 -","8","1","","Alexander M. Spokoyny; Matthew G. Reuter; Charlotte L. Stern; Mark A. Ratner; Tamar Seideman; Chad A. Mirkin","Carborane-Based Pincers: Synthesis and Structure of SeBSe and SBS Pd(II) Complexes","Journal of the American Chemical Society","2009","131","","9482","9483","10.1021/ja902526k","","","0.71073","MoKα","","0.0578","0.0495","","","0.1073","0.1166","","","","","","1.239","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104671","12.4086","0.0003","11.5587","0.0002","16.2997","0.0003","90","","109.173","0.001","90","","2208.15","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 B10 Cl Pd Se2 -","- C16 H23 B10 Cl Pd Se2 -","- C64 H92 B40 Cl4 Pd4 Se8 -","4","1","","Alexander M. Spokoyny; Matthew G. Reuter; Charlotte L. Stern; Mark A. Ratner; Tamar Seideman; Chad A. Mirkin","Carborane-Based Pincers: Synthesis and Structure of SeBSe and SBS Pd(II) Complexes","Journal of the American Chemical Society","2009","131","","9482","9483","10.1021/ja902526k","","","0.71073","MoKα","","0.0362","0.0253","","","0.0606","0.0642","","","","","","1.143","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104672","13.9886","0.0011","7.4843","0.0004","14.8896","0.001","90","","112.969","0.003","90","","1435.27","0.17","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ba I5 Nb O16 -","- Ba I5 Nb O16 -","- Ba4 I20 Nb4 O64 -","4","1","","Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Ji-Bei Ling; Ting Hu; Fang Kong; Xi-Fa Long; Jiang-Gao Mao","BaNbO(IO3)5: A New Polar Material with a Very Large SHG Response","Journal of the American Chemical Society","2009","131","","9486","9487","10.1021/ja9030566","","","0.71073","MoKα","","0.032","0.0317","","","0.0837","0.084","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104673","13.0697","0.0002","13.5755","0.0003","18.2169","0.0003","87.206","0.001","77.527","0.001","64.003","0.001","2832.69","0.09","100","","100","","","","","","","","toluene","6","P -1","-P 1","2","","N-pyridine-tris(triphenylsiloxy)-molybdenum-nitride","","- C66 H58 Mo N2 O3 Si3 -","- C66 H50 Mo N2 O3 Si3 -","- C132 H100 Mo2 N4 O6 Si6 -","2","1","","Martin Bindl; Robert Stade; Eike K. Heilmann; Alexandre Picot; Richard Goddard; Alois Fürstner","Molybdenum Nitride Complexes with Ph3SiO Ligands Are Exceedingly Practical and Tolerant Precatalysts for Alkyne Metathesis and Efficient Nitrogen Transfer Agents","Journal of the American Chemical Society","2009","131","","9468","9470","10.1021/ja903259g","","","0.71073","MoKα","","0.0784","0.0586","","","0.1433","0.1565","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104674","12.2558","0.0001","15.2007","0.0001","23.4902","0.0002","90","","94.7499","0.0005","90","","4361.12","0.06","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H54 Cl2 N2 O Ru -","- C51 H54 Cl2 N2 O Ru -","- C204 H216 Cl8 N8 O4 Ru4 -","4","1","","Michele Gatti; Ludovic Vieille-Petit; Xinjun Luan; Ronaldo Mariz; Emma Drinkel; Anthony Linden; Reto Dorta","Impact of NHC Ligand Conformation and Solvent Concentration on the Ruthenium-Catalyzed Ring-Closing Metathesis Reaction","Journal of the American Chemical Society","2009","131","","9498","9499","10.1021/ja903554v","","","0.71073","MoKα","","0.0538","0.0346","","","0.0771","0.0864","","","","","","1.032","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104675","21.4578","0.0004","11.7706","0.0002","36.694","0.0007","90","","104.011","0.0008","90","","8992.1","0.3","160","1","160","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H58 Cl2 N2 O Ru -","- C51 H58 Cl2 N2 O Ru -","- C408 H464 Cl16 N16 O8 Ru8 -","8","1","","Michele Gatti; Ludovic Vieille-Petit; Xinjun Luan; Ronaldo Mariz; Emma Drinkel; Anthony Linden; Reto Dorta","Impact of NHC Ligand Conformation and Solvent Concentration on the Ruthenium-Catalyzed Ring-Closing Metathesis Reaction","Journal of the American Chemical Society","2009","131","","9498","9499","10.1021/ja903554v","","","0.71073","MoKα","","0.0517","0.0386","","","0.0863","0.0928","","","","","","1.025","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104676","19.153","0.012","6.945","0.004","19.384","0.013","90","","105.996","0.009","90","","2479","3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 B Br N2 -","- C26 H36 B Br N2 -","- C104 H144 B4 Br4 N8 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.1086","0.0912","","","0.2386","0.257","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104677","7.4883","0.0002","9.4835","0.0001","18.5512","0.0004","77.6015","0.0008","86.8095","0.0012","80.4265","0.0012","1268.5","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 B I N2 -","- C26 H36 B I N2 -","- C52 H72 B2 I2 N4 -","2","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.71069","MoKα","","0.0168","0.0165","","","0.0421","0.0423","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104678","19.222","0.014","6.924","0.005","19.362","0.014","90","","105.271","0.003","90","","2486","3","103.15","","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 B Br N2 -","- C26 H38 B Br N2 -","- C104 H152 B4 Br4 N8 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0688","0.0647","","","0.1569","0.1599","","","","","","1.111","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104679","17.0118","0.0011","19.5103","0.0011","18.357","0.0011","90","","90","","90","","6092.8","0.6","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H46 B Li N2 O2 -","- C30 H46 B Li N2 O2 -","- C240 H368 B8 Li8 N16 O16 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.71069","MoKα","","0.1036","0.0814","","","0.2329","0.2575","","","","","","1.071","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104680","11.5625","0.001","19.603","0.002","28.941","0.002","90","","90","","90","","6559.8","1","103.15","","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H52 B Li N2 O2 -","- C34 H52 B Li N2 O2 -","- C272 H416 B8 Li8 N16 O16 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0892","0.0874","","","0.1634","0.1642","","","","","","1.223","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104681","12.58","0.003","16.395","0.004","16.766","0.004","90","","90","","90","","3458","1.4","103.15","","103","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H54 B Li N2 O2 -","- C34 H54 B Li N2 O2 -","- C136 H216 B4 Li4 N8 O8 -","4","0.5","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.053","0.0481","","","0.114","0.1169","","","","","","1.139","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104682","11.19","0.011","17.754","0.017","18.41","0.018","90","","99.29","0.006","90","","3609","6","103.15","","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H54 B Li N2 O2 -","- C38 H54 B Li N2 O2 -","- C152 H216 B4 Li4 N8 O8 -","4","0.5","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.1072","0.0829","","","0.1853","0.1993","","","","","","1.155","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104683","18.891","0.005","15.567","0.004","16.711","0.005","90","","90","","90","","4914","2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C26 H37 B N2 -","- C26 H37 B N2 -","- C208 H296 B8 N16 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0717","0.0638","","","0.155","0.1633","","","","","","1.067","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104684","19.035","0.009","15.615","0.007","16.723","0.007","90","","90","","90","","4971","4","103.15","","103","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C26 H39 B N2 -","- C26 H39 B N2 -","- C208 H312 B8 N16 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.078","0.069","","","0.1372","0.1411","","","","","","1.276","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104685","10.45","0.006","12.028","0.009","12.684","0.007","69.23","0.05","67","0.05","75.57","0.06","1360.8","1.6","103.15","","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H39 B N2 -","- C30 H39 B N2 -","- C60 H78 B2 N4 -","2","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0834","0.0629","","","0.1622","0.1813","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104686","7.413","0.005","9.362","0.007","18.458","0.014","77.366","0.018","86.92","0.02","77.526","0.019","1220.4","1.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H39 B N2 -","- C27 H39 B N2 -","- C54 H78 B2 N4 -","2","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.1329","0.0925","","","0.2483","0.2771","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104687","12.099","0.004","13.535","0.004","18.125","0.006","90","","90","","90","","2968.1","1.6","103.15","","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 B N2 -","- C33 H43 B N2 -","- C132 H172 B4 N8 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0363","0.0351","","","0.0841","0.0849","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104688","12.205","0.003","13.677","0.003","17.907","0.004","90","","90","","90","","2989.2","1.2","103.15","","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 B N2 O -","- C33 H43 B N2 O -","- C132 H172 B4 N8 O4 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0419","0.0402","","","0.1034","0.1051","","","","","","1.086","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104689","12.66","0.006","15.48","0.008","14.755","0.007","90","","90.479","0.002","90","","2892","2","103.15","","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H41 B N2 O -","- C33 H41 B N2 O -","- C132 H164 B4 N8 O4 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0782","0.0572","","","0.1295","0.1415","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104690","9.294","0.004","11.154","0.004","14.663","0.006","81.83","0.011","82.698","0.011","85.549","0.011","1489.7","1","103.15","","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H43 B N2 O -","- C33 H43 B N2 O -","- C66 H86 B2 N4 O2 -","2","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0825","0.0554","","","0.1337","0.1498","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104691","9.3","0.003","12.312","0.004","25.655","0.008","90","","94.2715","0.0014","90","","2929.4","1.6","103.15","","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H45 B N2 O2 -","- C31 H45 B N2 O2 -","- C124 H180 B4 N8 O8 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0641","0.0559","","","0.1134","0.1174","","","","","","1.189","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104692","9.474","0.004","10.358","0.005","16.62","0.009","81.12","0.03","74.61","0.03","71.7","0.02","1488.4","1.3","103.15","","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H41 B N2 O2 -","- C33 H41 B N2 O2 -","- C66 H82 B2 N4 O4 -","2","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0949","0.0653","","","0.1472","0.1659","","","","","","1.154","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104693","18.522","0.004","15.505","0.004","16.871","0.004","90","","90","","90","","4845","2","103.15","","103","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C26 H37 B N2 O -","- C26 H37 B N2 O -","- C208 H296 B8 N16 O8 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0796","0.0725","","","0.1389","0.142","","","","","","1.287","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104694","13.378","0.01","12.642","0.009","16.528","0.011","90","","95.338","0.005","90","","2783","3","103.15","","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 B N2 -","- C32 H41 B N2 -","- C128 H164 B4 N8 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0633","0.0498","","","0.1071","0.1137","","","","","","1.108","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104695","7.9585","0.0004","7.5081","0.0004","18.6463","0.001","90","","90","","90","","1114.18","0.1","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 Cl N -","- C11 H16 Cl N -","- C44 H64 Cl4 N4 -","4","1","","Mark R. Crimmin; Merle Arrowsmith; Anthony G. M. Barrett; Ian J. Casely; Michael S. Hill; Panayiotis A. Procopiou","Intramolecular Hydroamination of Aminoalkenes by Calcium and Magnesium Complexes: A Synthetic and Mechanistic Study","Journal of the American Chemical Society","2009","131","","9670","9685","10.1021/ja9003377","","x-ray","0.71073","MoKα","","0.0795","0.0523","","","0.1162","0.1287","","","","","","1.008","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104696","16.6728","0.0005","13.871","0.0005","18.4067","0.0006","90","","107.207","0.0012","90","","4066.4","0.2","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C29 H18 B F4 N -","- C29 H18 B F4 N -","- C232 H144 B8 F32 N8 -","8","2","","Dongqing Wu; Wojciech Pisula; Volker Enkelmann; Xinliang Feng; Klaus Müllen","Controllable Columnar Organization of Positively Charged Polycyclic Aromatic Hydrocarbons by Choice of Counterions","Journal of the American Chemical Society","2009","131","","9620","9621","10.1021/ja902420u","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104697","17.5903","0.0006","13.7262","0.0005","23.4413","0.0007","90","","100.24","","90","","5569.7","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H58 N2 O9 S2 -","- C73 H58 N2 O9 S2 -","- C292 H232 N8 O36 S8 -","4","1","","Dongqing Wu; Wojciech Pisula; Volker Enkelmann; Xinliang Feng; Klaus Müllen","Controllable Columnar Organization of Positively Charged Polycyclic Aromatic Hydrocarbons by Choice of Counterions","Journal of the American Chemical Society","2009","131","","9620","9621","10.1021/ja902420u","","","0.71073","MoKα","","0.0527","0.0538","","0.0534","0.0534","0.0534","","","","","","0.7939","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104698","10.1185","0.0006","12.5498","0.0006","19.3212","0.0014","90","","102.632","0.005","90","","2394.1","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H54 F12 N6 O P2 Ru -","- C44 H54 F12 N6 O P2 Ru -","- C88 H108 F24 N12 O2 P4 Ru2 -","2","1","","Lei Gong; Seann P. Mulcahy; Klaus Harms; Eric Meggers","Chiral-Auxiliary-Mediated Asymmetric Synthesis of Tris-Heteroleptic Ruthenium Polypyridyl Complexes","Journal of the American Chemical Society","2009","131","","9602","9603","10.1021/ja9031665","","","0.71073","MoKα","","0.075","0.053","","","0.1026","0.1098","","","","","","0.952","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104699","15.2056","0.0012","13.6226","0.0006","36.577","0.003","90","","98.17","0.006","90","","7499.7","0.9","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C35 H36 Cl2 F6 N5 O2 P Ru -","- C35 H36 Cl2 F6 N5 O2 P Ru -","- C280 H288 Cl16 F48 N40 O16 P8 Ru8 -","8","2","","Lei Gong; Seann P. Mulcahy; Klaus Harms; Eric Meggers","Chiral-Auxiliary-Mediated Asymmetric Synthesis of Tris-Heteroleptic Ruthenium Polypyridyl Complexes","Journal of the American Chemical Society","2009","131","","9602","9603","10.1021/ja9031665","","","0.71073","MoKα","","0.1488","0.0845","","","0.1774","0.1989","","","","","","0.862","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104700","11.36","0.011","27.82","0.02","12.44","0.012","90","","109.908","0.01","90","","3697","6","113.1","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C55 H59 Cl2 F6 Mn4 N7 O24 S2 -","- C55.54 H48 Cl2 F5.82 Mn4 N6.9 O24.3 S2 -","- C111.08 H96 Cl4 F11.64 Mn8 N13.8 O48.6 S4 -","2","0.5","","Masakazu Morimoto; Hitoshi Miyasaka; Masahiro Yamashita; Masahiro Irie","Coordination Assemblies of [Mn4] Single-Molecule Magnets Linked by Photochromic Ligands: Photochemical Control of the Magnetic Properties","Journal of the American Chemical Society","2009","131","","9823","9835","10.1021/ja903366d","","","0.7107","MoK?","","","0.0959","","","","0.1983","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104701","32.5","0.02","14.219","0.008","14.468","0.009","90","","104.848","0.006","90","","6463","7","93.1","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C53 H56 Cl2 F6 Mn4 N6 O24 S2 -","- C53 H44 Cl2 F6 Mn4 N6 O24 S2 -","- C212 H176 Cl8 F24 Mn16 N24 O96 S8 -","4","0.5","","Masakazu Morimoto; Hitoshi Miyasaka; Masahiro Yamashita; Masahiro Irie","Coordination Assemblies of [Mn4] Single-Molecule Magnets Linked by Photochromic Ligands: Photochemical Control of the Magnetic Properties","Journal of the American Chemical Society","2009","131","","9823","9835","10.1021/ja903366d","","","0.7107","MoKa","","","0.0601","","","","0.1489","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104702","10.6583","0.0004","9.8999","0.0004","12.4412","0.0007","90","","109.694","0.0019","90","","1235.96","0.1","93.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H27 N2 O P -","- C30 H27 N2 O P -","- C60 H54 N4 O2 P2 -","2","1","","Liang Yin; Motomu Kanai; Masakatsu Shibasaki","Nucleophile Generation via Decarboxylation: Asymmetric Construction of Contiguous Trisubstituted and Quaternary Stereocenters through a Cu(I)-Catalyzed Decarboxylative Mannich-Type Reaction","Journal of the American Chemical Society","2009","131","","9610","9611","10.1021/ja9036675","","","1.54187","CuKα","","","0.0581","","","","0.139","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104703","8.3136","0.0002","8.7575","0.0002","10.6508","0.0003","78.823","0.001","67.434","0.001","62.095","0.001","632.72","0.03","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H37 N O6 -","- C30 H37 N O6 -","- C30 H37 N O6 -","1","1","","Mohammad Movassaghi; Meiliana Tjandra; Jun Qi","Total Synthesis of (-)-Himandrine","Journal of the American Chemical Society","2009","131","","9648","9650","10.1021/ja903790y","","","1.54178","CuKα","","0.0273","0.0268","","","0.0704","0.0707","","","","","","1.05","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104704","19.342","0.0002","21.149","0.0002","20.209","0.0002","90","","104.358","0.001","90","","8008.56","0.14","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C76 H93 B F24 N8 Ru -","- C76 H93 B F24 N8 Ru -","- C304 H372 B4 F96 N32 Ru4 -","4","1","","L. Jonas L. Häller; Elena Mas-Marzá; Aitor Moreno; John P. Lowe; Stuart A. Macgregor; Mary F. Mahon; Paul S. Pregosin; Michael K. Whittlesey","Formation of [Ru(NHC)4(η2-O2)H]+: An Unusual, High Frequency Hydride Chemical Shift and Facile, Reversible Coordination of O2","Journal of the American Chemical Society","2009","131","","9618","9619","10.1021/ja9039345","","","0.71073","MoKα","","0.0825","0.0533","","","0.1183","0.1355","","","","","","1.048","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104705","19.049","0.0002","21.272","0.0003","20.325","0.0003","90","","103.628","0.001","90","","8004.03","0.19","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C76 H93 B F24 N8 O2 Ru -","- C76 H92 B F24 N8 O2 Ru -","- C304 H368 B4 F96 N32 O8 Ru4 -","4","1","","L. Jonas L. Häller; Elena Mas-Marzá; Aitor Moreno; John P. Lowe; Stuart A. Macgregor; Mary F. Mahon; Paul S. Pregosin; Michael K. Whittlesey","Formation of [Ru(NHC)4(η2-O2)H]+: An Unusual, High Frequency Hydride Chemical Shift and Facile, Reversible Coordination of O2","Journal of the American Chemical Society","2009","131","","9618","9619","10.1021/ja9039345","","","0.71073","MoKα","","0.134","0.0673","","","0.1492","0.1796","","","","","","1.066","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104706","19.572","0.0003","21.174","0.0003","20.244","0.0003","90","","104.875","0.001","90","","8108.3","0.2","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C77 H93 B F24 N8 O Ru -","- C77 H92 B F24 N8 O Ru -","- C308 H368 B4 F96 N32 O4 Ru4 -","4","1","","L. Jonas L. Häller; Elena Mas-Marzá; Aitor Moreno; John P. Lowe; Stuart A. Macgregor; Mary F. Mahon; Paul S. Pregosin; Michael K. Whittlesey","Formation of [Ru(NHC)4(η2-O2)H]+: An Unusual, High Frequency Hydride Chemical Shift and Facile, Reversible Coordination of O2","Journal of the American Chemical Society","2009","131","","9618","9619","10.1021/ja9039345","","","0.71073","MoKα","","0.1121","0.0664","","","0.1453","0.1739","","","","","","1.057","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104707","6.245","0.003","8.43","0.01","20.3","0.01","90","","90.82","0.03","90","","1068.6","1.5","","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetrathiafulvalene-2-carboxylic acid_ammonium salt","","- C7 H7 N O2 S4 -","- C7 H7 N O2 S4 -","- C28 H28 N4 O8 S16 -","4","2","","Yuka Kobayashi; Mayu Yoshioka; Kazuhiko Saigo; Daisuke Hashizume; Takashi Ogura","Hydrogen-Bonding-Assisted Self-Doping in Tetrathiafulvalene (TTF) Conductor","Journal of the American Chemical Society","2009","131","","9995","10002","10.1021/ja809425b","powder diffraction","","1.3038","synchrotron","","0.0404","","","","","","","0.0913","4.7024","","","","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104708","21.123","0.003","11.8915","0.0017","14.321","0.002","90","","90","","90","","3597.2","0.9","173","2","173","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C68 H67 Br2 Cl2 D10 N2 O4.5 P2 Pd2 -","- C68 Br2 Cl2 D77 N2 O4.5 P2 Pd2 -","- C136 Br4 Cl4 D154 N4 O9 P4 Pd4 -","2","0.5","","Craig P. Butts; Emane Filali; Guy C. Lloyd-Jones; Per-Ola Norrby; David A. Sale; York Schramm","Structure-Based Rationale for Selectivity in the Asymmetric Allylic Alkylation of Cycloalkenyl Esters Employing the Trost 'Standard Ligand' (TSL): Isolation, Analysis and Alkylation of the Monomeric form of the Cationic η3-Cyclohexenyl Complex [(η3-c-C6H9)Pd(TSL)]+","Journal of the American Chemical Society","2009","131","","9945","9957","10.1021/ja8099757","","","0.71073","MoKα","","0.0242","0.0237","","","0.0636","0.0639","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104709","23.061","0.01","13.414","0.01","14.877","0.01","90","","127.395","0.01","90","","3656","4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C42 H55 Au Cl P2 -","- C39.45 H60 Au Cl P2 -","- C157.8 H240 Au4 Cl4 P8 -","4","0.5","","David V. Partyka; Marlena P. Washington; Thomas G. Gray; James B. Updegraff III; John F. Turner; John D. Protasiewicz","Unusual Phosphorus-Phosphorus Double Bond Contraction upon Mono- and Di-auration of a Diphosphene","Journal of the American Chemical Society","2009","131","","10041","10048","10.1021/ja900813v","","","0.71073","MoKα","","0.0728","0.0556","","","0.1451","0.1629","","","","","","1.281","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104710","8.8414","0.0013","9.2149","0.0014","12.2231","0.0014","99.669","0.002","99.41","0.002","99.408","0.003","949.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H58 Au2 Cl2 P2 -","- C36 H58 Au2 Cl2 P2 -","- C36 H58 Au2 Cl2 P2 -","1","0.5","","David V. Partyka; Marlena P. Washington; Thomas G. Gray; James B. Updegraff III; John F. Turner; John D. Protasiewicz","Unusual Phosphorus-Phosphorus Double Bond Contraction upon Mono- and Di-auration of a Diphosphene","Journal of the American Chemical Society","2009","131","","10041","10048","10.1021/ja900813v","","","0.71073","MoKα","","0.0534","0.0461","","","0.1284","0.1376","","","","","","1.121","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104711","18.502","0.0012","18.502","0.0012","36.985","0.005","90","","90","","90","","12661","2","220","2","220","2","","","","","","","","4","I 41/a :2","-I 4ad","88","dimer","dimer","","- C30 H46 N2 O6 -","- C30 H46 N2 O6 -","- C480 H736 N32 O96 -","16","1","","Christoph Riplinger; Joseph P. Y. Kao; Gerald M. Rosen; Velavan Kathirvelu; Gareth R. Eaton; Sandra S. Eaton; Andrei Kutateladze; Frank Neese","Interaction of Radical Pairs Through-Bond and Through-Space: Scope and Limitations of the Point-Dipole Approximation in Electron Paramagnetic Resonance Spectroscopy","Journal of the American Chemical Society","2009","131","","10092","10106","10.1021/ja901150j","","","0.71073","MoKα","","0.0879","0.0542","","","0.109","0.1221","","","","","","1","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104712","8.82","0.0004","10.6264","0.0004","50.784","0.002","90","","90","","90","","4759.7","0.3","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H32 N16 Tb -","- C64 H32 N16 Tb -","- C256 H128 N64 Tb4 -","4","1","","Keiichi Katoh; Yusuke Yoshida; Masahiro Yamashita; Hitoshi Miyasaka; Brian K. Breedlove; Takashi Kajiwara; Shinya Takaishi; Naoto Ishikawa; Hironari Isshiki; Yan Feng Zhang; Tadahiro Komeda; Masakazu Yamagishi; Jun Takeya","Direct Observation of Lanthanide(III)-Phthalocyanine Molecules on Au(111) by Using Scanning Tunneling Microscopy and Scanning Tunneling Spectroscopy and Thin-Film Field-Effect Transistor Properties of Tb(III)- and Dy(III)-Phthalocyanine Molecules","Journal of the American Chemical Society","2009","131","","9967","9976","10.1021/ja902349t","","","0.7107","MoKα","","","0.0608","","","","0.1333","","","","","","1.156","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104713","8.8121","0.0002","10.6081","0.0003","50.7087","0.0015","90","","90","","90","","4740.2","0.2","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H32 Dy N16 -","- C64 H32 Dy N16 -","- C256 H128 Dy4 N64 -","4","1","","Keiichi Katoh; Yusuke Yoshida; Masahiro Yamashita; Hitoshi Miyasaka; Brian K. Breedlove; Takashi Kajiwara; Shinya Takaishi; Naoto Ishikawa; Hironari Isshiki; Yan Feng Zhang; Tadahiro Komeda; Masakazu Yamagishi; Jun Takeya","Direct Observation of Lanthanide(III)-Phthalocyanine Molecules on Au(111) by Using Scanning Tunneling Microscopy and Scanning Tunneling Spectroscopy and Thin-Film Field-Effect Transistor Properties of Tb(III)- and Dy(III)-Phthalocyanine Molecules","Journal of the American Chemical Society","2009","131","","9967","9976","10.1021/ja902349t","","","0.7107","MoKα","","","0.0504","","","","0.1082","","","","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104714","8.835","0.003","10.616","0.004","50.789","0.017","90","","90","","90","","4764","3","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H32 N16 Y -","- C64 H32 N16 Y -","- C256 H128 N64 Y4 -","4","1","","Keiichi Katoh; Yusuke Yoshida; Masahiro Yamashita; Hitoshi Miyasaka; Brian K. Breedlove; Takashi Kajiwara; Shinya Takaishi; Naoto Ishikawa; Hironari Isshiki; Yan Feng Zhang; Tadahiro Komeda; Masakazu Yamagishi; Jun Takeya","Direct Observation of Lanthanide(III)-Phthalocyanine Molecules on Au(111) by Using Scanning Tunneling Microscopy and Scanning Tunneling Spectroscopy and Thin-Film Field-Effect Transistor Properties of Tb(III)- and Dy(III)-Phthalocyanine Molecules","Journal of the American Chemical Society","2009","131","","9967","9976","10.1021/ja902349t","","","0.7107","MoKα","","","0.0721","","","","0.1576","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104715","12.9583","0.0008","10.9835","0.0007","12.9596","0.0007","90","","90","","90","","1844.51","0.19","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","Sodium Mercury Stannide","","","- Hg2.39 Na5 Sn9.61 -","- Hg2.39 Na5 Sn9.61 -","- Hg9.56 Na20 Sn38.44 -","4","0.5","","Siméon Ponou; Sung-Jin Kim; Thomas F. Fässler","Synthesis and Characterization of Na5M2+xSn10-x (x~ 0.5, M = Zn, Hg) - A Doped Tetrahedral Framework Structure","Journal of the American Chemical Society","2009","131","","10246","10252","10.1021/ja902664c","","","0.71073","MoKα","","0.0474","0.0329","","","0.0761","0.0784","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104716","12.7717","0.0007","10.8042","0.0007","12.7774","0.0009","90","","90","","90","","1763.13","0.19","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Na5 Sn9.72 Zn2.28 -","- Na5 Sn9.722 Zn2.278 -","- Na20 Sn38.888 Zn9.112 -","4","0.5","","Siméon Ponou; Sung-Jin Kim; Thomas F. Fässler","Synthesis and Characterization of Na5M2+xSn10-x (x~ 0.5, M = Zn, Hg) - A Doped Tetrahedral Framework Structure","Journal of the American Chemical Society","2009","131","","10246","10252","10.1021/ja902664c","","","0.71073","MoKα","","0.0481","0.0353","","","0.0696","0.0716","","","","","","1.219","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104717","10.48","0.002","13.107","0.003","13.399","0.003","114.54","0.03","92.11","0.03","102.31","0.03","1619.4","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 Cu2 F12 N2 O9 -","- C26 H16 Cu2 F12 N2 O9 -","- C52 H32 Cu4 F24 N4 O18 -","2","1","","Andrew Ozarowski; Iwona B. Szymańska; Tadeusz Muzioł; Julia Jezierska","High-Field EPR and Magnetic Susceptibility Studies on Binuclear and Tetranuclear Copper Trifluoroacetate Complexes. X-ray Structure Determination of Three Tetranuclear Quinoline Adducts of Copper(II) Trifluoroacetate","Journal of the American Chemical Society","2009","131","","10279","10292","10.1021/ja902695y","","","0.71073","MoKα","","0.0723","0.0465","","","0.1104","0.1233","","","","","","0.98","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104718","15.278","0.003","23.227","0.005","34.895","0.007","90","","90","","90","","12383","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52.2 H32.8 Cu4 F18 N4 O13 -","- C52.2 H28 Cu4 F18 N4 O13 -","- C417.6 H224 Cu32 F144 N32 O104 -","8","1","","Andrew Ozarowski; Iwona B. Szymańska; Tadeusz Muzioł; Julia Jezierska","High-Field EPR and Magnetic Susceptibility Studies on Binuclear and Tetranuclear Copper Trifluoroacetate Complexes. X-ray Structure Determination of Three Tetranuclear Quinoline Adducts of Copper(II) Trifluoroacetate","Journal of the American Chemical Society","2009","131","","10279","10292","10.1021/ja902695y","","","0.71073","MoKα","","0.1098","0.1049","","","0.2294","0.233","","","","","","1.266","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104719","21.933","0.004","11.176","0.002","23.927","0.005","90","","97.41","0.03","90","","5816","2","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C52.8 H32.8 Cu4 F18 N4 O13 -","- C50 H28 Cu4 F18 N4 O13 -","- C200 H112 Cu16 F72 N16 O52 -","4","1","","Andrew Ozarowski; Iwona B. Szymańska; Tadeusz Muzioł; Julia Jezierska","High-Field EPR and Magnetic Susceptibility Studies on Binuclear and Tetranuclear Copper Trifluoroacetate Complexes. X-ray Structure Determination of Three Tetranuclear Quinoline Adducts of Copper(II) Trifluoroacetate","Journal of the American Chemical Society","2009","131","","10279","10292","10.1021/ja902695y","","","0.71073","MoKα","","0.1085","0.0845","","","0.2032","0.224","","","","","","1.114","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104720","22.2245","0.0002","12.7995","0.0001","23.5634","0.0002","90","","116.462","0.0005","90","","6000.62","0.09","200","","200","","","","","","","","local","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H60 Cl N O4 P4 Ru -","- C70 H60 Cl N O4 P4 Ru -","- C280 H240 Cl4 N4 O16 P16 Ru4 -","4","1","","Bandar Babgi; Luca Rigamonti; Marie P. Cifuentes; T. Christopher Corkery; Michael D. Randles; Torsten Schwich; Simon Petrie; Robert Stranger; Ayele Teshome; Inge Asselberghs; Koen Clays; Marek Samoc; Mark G. Humphrey","Length-Dependent Convergence and Saturation Behavior of Electrochemical, Linear Optical, Quadratic Nonlinear Optical, and cubic Nonlinear Optical Properties of Dipolar Alkynylruthenium Complexes with Oligo(phenyleneethynylene) Bridges","Journal of the American Chemical Society","2009","131","","10293","10307","10.1021/ja902793z","","","0.71073","MoKα","","0.0565","0.0425","","0.2097","0.1517","0.2097","","","","","","0.7401","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104721","11.249","0.002","17.344","0.003","18.91","0.004","90","","97.509","0.002","90","","3657.8","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H57 Fe Lu N2 O Si2 -","- C35 H57 Fe Lu N2 O Si2 -","- C140 H228 Fe4 Lu4 N8 O4 Si8 -","4","1","","Colin T. Carver; Diego Benitez; Kevin L. Miller; Bryan N. Williams; Ekaterina Tkatchouk; William A. Goddard; Paula L. Diaconescu","Reactions of Group III Biheterocyclic Complexes","Journal of the American Chemical Society","2009","131","","10269","10278","10.1021/ja902794w","","","0.71073","MoKα","","0.0384","0.0269","","","0.0538","0.0577","","","","","","1.031","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104722","16.1271","0.0019","10.5039","0.0013","27.189","0.003","90","","95.68","0.001","90","","4583.1","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H63 Fe N4 Sc Si2 -","- C50 H63 Fe N4 Sc Si2 -","- C200 H252 Fe4 N16 Sc4 Si8 -","4","1","","Colin T. Carver; Diego Benitez; Kevin L. Miller; Bryan N. Williams; Ekaterina Tkatchouk; William A. Goddard; Paula L. Diaconescu","Reactions of Group III Biheterocyclic Complexes","Journal of the American Chemical Society","2009","131","","10269","10278","10.1021/ja902794w","","","0.71073","MoKα","","0.1209","0.0544","","","0.0996","0.1237","","","","","","0.992","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104723","16.782","0.003","13.647","0.002","18.368","0.003","90","","109.108","0.002","90","","3974.9","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H55 Fe N4 Sc Si2 -","- C43 H55 Fe N4 Sc Si2 -","- C172 H220 Fe4 N16 Sc4 Si8 -","4","1","","Colin T. Carver; Diego Benitez; Kevin L. Miller; Bryan N. Williams; Ekaterina Tkatchouk; William A. Goddard; Paula L. Diaconescu","Reactions of Group III Biheterocyclic Complexes","Journal of the American Chemical Society","2009","131","","10269","10278","10.1021/ja902794w","","","0.71073","MoKα","","0.0902","0.0447","","","0.1019","0.1197","","","","","","1.012","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104724","11.5417","0.0017","33.162","0.005","11.1501","0.0017","90","","110.935","0.002","90","","3985.9","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H55 Fe N4 Sc Si2 -","- C42 H55 Fe N4 Sc Si2 -","- C168 H220 Fe4 N16 Sc4 Si8 -","4","1","","Colin T. Carver; Diego Benitez; Kevin L. Miller; Bryan N. Williams; Ekaterina Tkatchouk; William A. Goddard; Paula L. Diaconescu","Reactions of Group III Biheterocyclic Complexes","Journal of the American Chemical Society","2009","131","","10269","10278","10.1021/ja902794w","","","0.71073","MoKα","","0.156","0.0843","","","0.1983","0.2331","","","","","","1.036","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104725","21.624","0.001","18.57","0.001","27.038","0.002","90","","94.238","0.001","90","","10827.6","1.1","153.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C104 H70 B2 F48 Pd8 -","- C104 H58 B2 F48 Pd8 -","- C416 H232 B8 F192 Pd32 -","4","0.5","","Tetsuro Murahashi; Ryou Inoue; Kentaro Usui; Sensuke Ogoshi","Square Tetrapalladium Sheet Sandwich Complexes: Cyclononatetraenyl as a Versatile Face-Capping Ligand","Journal of the American Chemical Society","2009","131","","9888","9889","10.1021/ja903679f","","","0.7107","MoKα","","","0.0861","","","","0.239","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104726","9.265","0.0002","13.355","0.0006","18.832","0.0008","98.802","0.002","98.343","0.002","99.888","0.003","2233.09","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","(CO)2Rh(Si3C2)","","- C35 H73 O2 Rh Si6 -","- C35 H73 O2 Rh Si6 -","- C70 H146 O4 Rh2 Si12 -","2","1","","Hiroyuki Yasuda; Vladimir Ya. Lee; Akira Sekiguchi","η5-1,2,3-Trisilacyclopentadienyl - A Ligand for Transition Metal Complexes: Rhodium Half-Sandwich and Ruthenium Sandwich","Journal of the American Chemical Society","2009","131","","9902","9903","10.1021/ja9038664","","","0.7107","MoKα","","0.0436","0.0362","","","0.0945","0.0979","","","","","","1.025","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104727","7.3945","0.0003","17.416","0.0006","8.8582","0.0003","90","","90.934","0.001","90","","1140.63","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O -","- C13 H15 N O -","- C52 H60 N4 O4 -","4","2","","Alexander M. Taylor; Ryan A. Altman; Stephen L. Buchwald","Palladium-Catalyzed Enantioselective α-Arylation and α-Vinylation of Oxindoles Facilitated by an Axially Chiral P-Stereogenic Ligand","Journal of the American Chemical Society","2009","131","","9900","9901","10.1021/ja903880q","","","1.54178","CuKα","","0.0307","0.0307","","","0.0848","0.0848","","","","","","1.095","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104728","11.989","0.002","16.896","0.003","17.378","0.004","90","","90","","90","","3520.2","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Al3 Br2 Cl12 S8 Sb7 -","- Al3 Br2 Cl12 S8 Sb7 -","- Al12 Br8 Cl48 S32 Sb28 -","4","1","","Qichun Zhang; In Chung; Joon I. Jang; John B. Ketterson; Mercouri G. Kanatzidis","Chalcogenide Chemistry in Ionic Liquids: Nonlinear Optical Wave-Mixing Properties of the Double-Cubane Compound [Sb7S8Br2](AlCl4)3","Journal of the American Chemical Society","2009","131","","9896","9897","10.1021/ja903881m","","","0.71073","MoKα","","0.0396","0.0361","","","0.0847","0.086","","","","","","1.126","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104729","7.9858","0.0001","9.1574","0.0002","9.4523","","62.025","0.006","82.335","0.007","72.873","0.007","583.39","0.04","113.1","","","","","","","","","","","5","P -1","-P 1","2","(NH4)2(adp)[Zn2(ox)3](H2O)3","","","- C12 H24 N2 O19 Zn2 -","- C12 N2 O19 Zn2 -","- C12 N2 O19 Zn2 -","1","0.5","","Masaaki Sadakiyo; Teppei Yamada; Hiroshi Kitagawa","Rational Designs for Highly Proton-Conductive Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","9906","9907","10.1021/ja9040016","","","0.7107","MoKα","","","0.0429","","","","0.1779","","","","","","1.337","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104730","9.5265","0.0004","11.6603","0.0005","14.3458","0.0007","76.604","0.001","89.071","0.001","87.194","0.001","1548.32","0.12","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H27 B F15 N2 O P -","- C30 H27 B F15 N2 O P -","- C60 H54 B2 F30 N4 O2 P2 -","2","1","","Edwin Otten; Rebecca C. Neu; Douglas W. Stephan","Complexation of Nitrous Oxide by Frustrated Lewis Pairs","Journal of the American Chemical Society","2009","131","","9918","9919","10.1021/ja904377v","","","0.71073","MoKα","","0.0322","0.0286","","","0.0751","0.0778","","","","","","1.013","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104731","10.3832","0.0008","11.9066","0.0009","14.5601","0.0012","70.621","0.004","76.818","0.004","65.912","0.004","1541.2","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H32 B F10 N2 O P -","- C30 H32 B F10 N2 O P -","- C60 H64 B2 F20 N4 O2 P2 -","2","1","","Edwin Otten; Rebecca C. Neu; Douglas W. Stephan","Complexation of Nitrous Oxide by Frustrated Lewis Pairs","Journal of the American Chemical Society","2009","131","","9918","9919","10.1021/ja904377v","","","0.71073","MoKα","","0.0546","0.0377","","","0.1043","0.1151","","","","","","1.021","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104732","15.2657","0.0016","14.4366","0.0015","14.4993","0.0015","90","","102.217","0.001","90","","3123.1","0.6","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jonrr09","Tp*Rh(CNneopentyl)(CH2CH2CHCl)Cl","","- C25 H41 B Cl4 N7 Rh -","- C25 H41 B Cl4 N7 Rh -","- C100 H164 B4 Cl16 N28 Rh4 -","4","1","","Andrew J. Vetter; Ryan D. Rieth; William W. Brennessel; William D. Jones","Selective C-H Activation of Haloalkanes using a Rhodiumtrispyrazolylborate Complex","Journal of the American Chemical Society","2009","131","","10742","10752","10.1021/ja9002316","","","0.71073","MoKα","","0.1085","0.0598","","","0.1399","0.1633","","","","","","1.023","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104733","15.9656","0.0014","11.1054","0.001","17.0087","0.0015","90","","92.865","0.002","90","","3011.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","JONAV09","Tp*Rh(CNneopentyl)(CH2Cl)Cl","","- C22 H35 B Cl2 N7 Rh -","- C22 H35 B Cl2 N7 Rh -","- C88 H140 B4 Cl8 N28 Rh4 -","4","1","","Andrew J. Vetter; Ryan D. Rieth; William W. Brennessel; William D. Jones","Selective C-H Activation of Haloalkanes using a Rhodiumtrispyrazolylborate Complex","Journal of the American Chemical Society","2009","131","","10742","10752","10.1021/ja9002316","","","0.71073","MoKα","","0.0574","0.0402","","","0.103","0.1075","","","","","","1.036","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104734","9.0905","0.0006","29.6972","0.0017","10.6304","0.0006","90","","109.9","0.001","90","","2698.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","JONAV12","Tp*Rh(CNneopentyl)(CHCl2)Cl","","- C22 H34 B Cl3 N7 Rh -","- C22 H34 B Cl3 N7 Rh -","- C88 H136 B4 Cl12 N28 Rh4 -","4","1","","Andrew J. Vetter; Ryan D. Rieth; William W. Brennessel; William D. Jones","Selective C-H Activation of Haloalkanes using a Rhodiumtrispyrazolylborate Complex","Journal of the American Chemical Society","2009","131","","10742","10752","10.1021/ja9002316","","","0.71073","MoKα","","0.0241","0.0228","","","0.0571","0.0576","","","","","","1.129","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104735","8.8138","0.0007","10.9244","0.0009","31.42","0.002","90","","90.574","0.001","90","","3025.1","0.4","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","jonav11","Tp*Rh(CNneopentyl)(CH2CH2CH2CH2CH2F)Cl","","- C26 H40 B Cl F N7 Rh -","- C26 H40 B Cl F N7 Rh -","- C104 H160 B4 Cl4 F4 N28 Rh4 -","4","1","","Andrew J. Vetter; Ryan D. Rieth; William W. Brennessel; William D. Jones","Selective C-H Activation of Haloalkanes using a Rhodiumtrispyrazolylborate Complex","Journal of the American Chemical Society","2009","131","","10742","10752","10.1021/ja9002316","","","0.71073","MoKα","","0.0414","0.0389","","","0.1146","0.1162","","","","","","1.023","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104736","11.638","0.003","19.638","0.004","12.081","0.003","90","","105.992","0.003","90","","2654.2","1.1","213","2","213","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C50 H74 Cl3 Li N2 O4 U -","- C50 H75 Cl3 Li N2 O4 U -","- C100 H150 Cl6 Li2 N4 O8 U2 -","2","0.5","","Ilia Korobkov; Serge Gorelsky; Sandro Gambarotta","Reduced Uranium Complexes: Synthetic and DFT Study of the Role of π Ligation in the Stabilization of Uranium Species in a Formal Low-Valent State","Journal of the American Chemical Society","2009","131","","10406","10420","10.1021/ja9002525","","","0.71073","MoKα","","0.0538","0.0422","","","0.1139","0.1221","","","","","","1.086","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104737","20.987","0.006","22.191","0.006","11.62","0.003","90","","90","","90","","5412","3","198","2","198","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C50 H74 Cl3 Li2 N2 O4 U -","- C50 H74 Cl3 Li2 N2 O4 U -","- C200 H296 Cl12 Li8 N8 O16 U4 -","4","0.5","","Ilia Korobkov; Serge Gorelsky; Sandro Gambarotta","Reduced Uranium Complexes: Synthetic and DFT Study of the Role of π Ligation in the Stabilization of Uranium Species in a Formal Low-Valent State","Journal of the American Chemical Society","2009","131","","10406","10420","10.1021/ja9002525","","","0.71073","MoKα","","0.0839","0.0515","","","0.1283","0.1506","","","","","","1.047","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104738","12.078","0.003","12.843","0.004","18.629","0.005","74.947","0.004","89.875","0.005","62.15","0.004","2443.2","1.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H70 Cl2 Li N2 O3 U -","- C46 H70 Cl2 Li N2 O3 U -","- C92 H140 Cl4 Li2 N4 O6 U2 -","2","1","","Ilia Korobkov; Serge Gorelsky; Sandro Gambarotta","Reduced Uranium Complexes: Synthetic and DFT Study of the Role of π Ligation in the Stabilization of Uranium Species in a Formal Low-Valent State","Journal of the American Chemical Society","2009","131","","10406","10420","10.1021/ja9002525","","","0.71073","MoKα","","0.0962","0.0636","","","0.152","0.1693","","","","","","1.026","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104739","10.944","0.004","12.922","0.005","18.617","0.009","70.233","0.006","80.328","0.008","67.287","0.006","2283.4","1.6","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H65 Cl2 Li N2 O3 U -","- C46 H65 Cl2 Li N2 O3 U -","- C92 H130 Cl4 Li2 N4 O6 U2 -","2","1","","Ilia Korobkov; Serge Gorelsky; Sandro Gambarotta","Reduced Uranium Complexes: Synthetic and DFT Study of the Role of π Ligation in the Stabilization of Uranium Species in a Formal Low-Valent State","Journal of the American Chemical Society","2009","131","","10406","10420","10.1021/ja9002525","","","0.71073","MoKα","","0.1151","0.0717","","","0.1497","0.1682","","","","","","1.084","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104740","13.2626","0.0015","26.292","0.003","17.4106","0.0019","90","","95.039","0.002","90","","6047.6","1.2","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H89 Cl Li2 N2 O9 U -","- C54 H89 Cl Li2 N2 O9 U -","- C216 H356 Cl4 Li8 N8 O36 U4 -","4","1","","Ilia Korobkov; Serge Gorelsky; Sandro Gambarotta","Reduced Uranium Complexes: Synthetic and DFT Study of the Role of π Ligation in the Stabilization of Uranium Species in a Formal Low-Valent State","Journal of the American Chemical Society","2009","131","","10406","10420","10.1021/ja9002525","","","0.71073","MoKα","","0.1209","0.0704","","","0.1517","0.173","","","","","","1.013","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104741","11.302","0.003","12.323","0.003","20.387","0.005","96.782","0.004","92.6","0.005","94.776","0.005","2805.4","1.2","208","2","208","2","","","","","","","","7","P -1","-P 1","2","","","","- C50.42 H82.28 Cl1.58 Li N2 O8.43 U -","- C50.43 H82.29 Cl1.57 Li N2 O8.43 U -","- C100.86 H164.58 Cl3.14 Li2 N4 O16.86 U2 -","2","1","","Ilia Korobkov; Serge Gorelsky; Sandro Gambarotta","Reduced Uranium Complexes: Synthetic and DFT Study of the Role of π Ligation in the Stabilization of Uranium Species in a Formal Low-Valent State","Journal of the American Chemical Society","2009","131","","10406","10420","10.1021/ja9002525","","","0.71073","MoKα","","0.0973","0.0644","","","0.1441","0.1551","","","","","","1.094","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104742","13.85","0.003","22.875","0.005","14.573","0.003","90","","111.063","0.003","90","","4308.5","1.6","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H60 N2 Na2 O5 U -","- C41 H60 N2 Na2 O5 U -","- C164 H240 N8 Na8 O20 U4 -","4","1","","Ilia Korobkov; Serge Gorelsky; Sandro Gambarotta","Reduced Uranium Complexes: Synthetic and DFT Study of the Role of π Ligation in the Stabilization of Uranium Species in a Formal Low-Valent State","Journal of the American Chemical Society","2009","131","","10406","10420","10.1021/ja9002525","","","0.71073","MoKα","","0.0783","0.044","","","0.1003","0.1174","","","","","","1.039","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104743","13.448","0.005","40.927","0.015","14.033","0.005","90","","104.17","0.006","90","","7489","5","206","2","206","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H113 Li N4 O4 U -","- C80 H113 Li N4 O4 U -","- C320 H452 Li4 N16 O16 U4 -","4","1","","Ilia Korobkov; Serge Gorelsky; Sandro Gambarotta","Reduced Uranium Complexes: Synthetic and DFT Study of the Role of π Ligation in the Stabilization of Uranium Species in a Formal Low-Valent State","Journal of the American Chemical Society","2009","131","","10406","10420","10.1021/ja9002525","","","0.71073","MoKα","","0.0917","0.057","","","0.0965","0.1056","","","","","","1.08","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104744","21.889","0.005","10.156","0.005","34.909","0.005","90","0.005","90.715","0.005","90","0.005","7760","4","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H36 N4 O13 Zn2 -","- C33 H20 N2 O10 Zn2 -","- C264 H160 N16 O80 Zn16 -","8","1","","Masakazu Higuchi; Daisuke Tanaka; Satoshi Horike; Hirotoshi Sakamoto; Kohei Nakamura; Yohei Takashima; Yuh Hijikata; Nobuhiro Yanai; Jungeun Kim; Kenichi Kato; Yoshiki Kubota; Masaki Takata; Susumu Kitagawa","Porous Coordination Polymer with Pyridinium Cationic Surface, [Zn2(tpa)2(cpb)]","Journal of the American Chemical Society","2009","131","","10336","10337","10.1021/ja900373v","","","0.71069","MoKα","","0.0944","0.064","","","0.1706","0.1887","","","","","","0.979","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104745","28.7749","0.0003","28.7749","0.0003","24.4911","0.0006","90","","90","","90","","20278.5","0.6","123","2","123","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C93 H124 Ag3 N9 O26 -","- C93 H84 Ag3 N9 O26 -","- C744 H672 Ag24 N72 O208 -","8","1","","Guozan Yuan; Chengfeng Zhu; Yan Liu; Weimin Xuan; Yong Cui","Anion-Driven Conformational Polymorphism in Homochiral Helical Coordination Polymers","Journal of the American Chemical Society","2009","131","","10452","10460","10.1021/ja901154p","","","1.54178","CuKα","","0.0665","0.064","","","0.1693","0.1718","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104746","23.6519","0.0003","23.6519","0.0003","39.4914","0.001","90","","90","","120","","19132.2","0.6","123","2","123","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C31.5 H40.83 Ag F N3 O5.83 P0.17 -","- C31.5 H40.83 Ag F N3 O5.83 P0.166667 -","- C567 H734.94 Ag18 F18 N54 O104.94 P3 -","18","1","","Guozan Yuan; Chengfeng Zhu; Yan Liu; Weimin Xuan; Yong Cui","Anion-Driven Conformational Polymorphism in Homochiral Helical Coordination Polymers","Journal of the American Chemical Society","2009","131","","10452","10460","10.1021/ja901154p","","","1.54178","CuKα","","0.0542","0.0521","","","0.1502","0.1535","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104747","17.4625","0.0002","17.4625","0.0002","24.1023","0.0007","90","","90","","90","","7349.7","0.2","123","2","123","2","","","","","","","","6","P 43 2 2","P 4cw 2c","95","","","","- C28 H34 Ag Cl N2 O9 -","- C28 H28 Ag Cl N2 O9 -","- C224 H224 Ag8 Cl8 N16 O72 -","8","1","","Guozan Yuan; Chengfeng Zhu; Yan Liu; Weimin Xuan; Yong Cui","Anion-Driven Conformational Polymorphism in Homochiral Helical Coordination Polymers","Journal of the American Chemical Society","2009","131","","10452","10460","10.1021/ja901154p","","","1.54178","CuKα","","0.0602","0.0598","","","0.1588","0.1592","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104748","40.497","0.001","17.8762","0.0006","18.4624","0.0007","90","","101.81","0.002","90","","13082.6","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H45 F6 N2 Ni P3 -","- C29 H45 F6 N2 Ni P3 -","- C464 H720 F96 N32 Ni16 P48 -","16","2","","Tobias Steinke; Bryan K. Shaw; Howard Jong; Brian O. Patrick; Michael D. Fryzuk; Jennifer C. Green","Noninnocent Behavior of Ancillary Ligands: Apparent Trans Coupling of a Saturated N-Heterocyclic Carbene Unit with an Ethyl Ligand Mediated by Nickel","Journal of the American Chemical Society","2009","131","","10461","10466","10.1021/ja901346g","","","0.71069","MoKα","","0.0756","0.0423","","","0.0901","0.105","","","","","","1.017","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104749","28.0108","0.001","12.6124","0.0002","18.5089","0.0006","90","","125.62","0.0011","90","","5315.5","0.3","80.1","","80","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H29 Cl N2 O8 -","- C27.265 H29 Cl0.95 N2.02 O8.07 -","- C218.12 H232 Cl7.6 N16.16 O64.56 -","8","1","","K. C. Nicolaou; Xiao-Shui Peng; Ya-Ping Sun; Damien Polet; Bin Zou; Chek Shik Lim; David Y.-K. Chen","Total Synthesis and Biological Evaluation of Cortistatins A and J and Analogues Thereof","Journal of the American Chemical Society","2009","131","","10587","10597","10.1021/ja902939t","","x-ray","0.71075","MoKα","","","0.0818","","","","0.0825","","","","","","3.837","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104750","8.8065","0.0005","9.5799","0.0003","13.8828","0.001","90","","96.494","0.003","90","","1163.71","0.11","93.1","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O3 -","- C13.21 H16 O2.64 -","- C52.84 H64 O10.56 -","4","1","","K. C. Nicolaou; Xiao-Shui Peng; Ya-Ping Sun; Damien Polet; Bin Zou; Chek Shik Lim; David Y.-K. Chen","Total Synthesis and Biological Evaluation of Cortistatins A and J and Analogues Thereof","Journal of the American Chemical Society","2009","131","","10587","10597","10.1021/ja902939t","","x-ray","0.71075","MoKα","","","0.0978","","","","0.1195","","","","","","8.066","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104751","11.7346","0.0007","9.0075","0.0004","11.8751","0.0008","90","","108.844","0.003","90","","1187.91","0.12","93.1","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O3 -","- C20.56 H25.32 O4.12 -","- C61.68 H75.96 O12.36 -","3","0.75","","K. C. Nicolaou; Xiao-Shui Peng; Ya-Ping Sun; Damien Polet; Bin Zou; Chek Shik Lim; David Y.-K. Chen","Total Synthesis and Biological Evaluation of Cortistatins A and J and Analogues Thereof","Journal of the American Chemical Society","2009","131","","10587","10597","10.1021/ja902939t","","x-ray","0.71075","MoKα","","","0.0725","","","","0.0778","","","","","","6.121","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104752","9.9221","0.0008","10.2588","0.0005","11.1446","0.0006","74.368","0.011","89.014","0.013","79.68","0.012","1074.19","0.14","113.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 N O4 -","- C34.71 H46.9 N1.4 O5.57 -","- C69.42 H93.8 N2.8 O11.14 -","2","1","","K. C. Nicolaou; Xiao-Shui Peng; Ya-Ping Sun; Damien Polet; Bin Zou; Chek Shik Lim; David Y.-K. Chen","Total Synthesis and Biological Evaluation of Cortistatins A and J and Analogues Thereof","Journal of the American Chemical Society","2009","131","","10587","10597","10.1021/ja902939t","","","0.7107","MoKα","","","0.0808","","","","0.0787","","","","","","3.758","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104753","21.2168","0.0005","14.3508","0.0003","12.0623","0.0002","90","","99.802","0.001","90","","3619.09","0.13","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-(Bis-2,6-diisopropylphenyl)-2-(2',3',4',5'-tetraethylphospholyl)- dihydro-1,3,2-diazaphosphole","","- C38 H56 N2 P2 -","- C38 H56 N2 P2 -","- C152 H224 N8 P8 -","4","1","","Sebastian Burck; Kathrin Götz; Martin Kaupp; Martin Nieger; Johannes Weber; Jörn Schmedt auf der Günne; Dietrich Gudat","Diphosphines with Strongly Polarized P-P Bonds: Hybrids between Covalent Molecules and Donor-Acceptor Adducts with Flexible Molecular Structures","Journal of the American Chemical Society","2009","131","","10763","10774","10.1021/ja903156p","","","0.71073","MoKα","","0.0653","0.0377","","","0.0843","0.0915","","","","","","0.952","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104754","9.219","0.0002","20.3427","0.0005","34.1942","0.0009","90","","90","","90","","6412.8","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Dimesityl-2-(2',3',4',5'-tetraethylphospholyl)- 4,5-dimethyl-dihydro-1,3,2-diazaphosphole","","- C34 H48 N2 P2 -","- C34 H48 N2 P2 -","- C272 H384 N16 P16 -","8","1","","Sebastian Burck; Kathrin Götz; Martin Kaupp; Martin Nieger; Johannes Weber; Jörn Schmedt auf der Günne; Dietrich Gudat","Diphosphines with Strongly Polarized P-P Bonds: Hybrids between Covalent Molecules and Donor-Acceptor Adducts with Flexible Molecular Structures","Journal of the American Chemical Society","2009","131","","10763","10774","10.1021/ja903156p","","","0.71073","MoKα","","0.1608","0.0978","","","0.1581","0.1833","","","","","","1.161","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104755","8.6178","0.0002","9.0995","0.0003","17.0578","0.0006","84.3","0.002","77.191","0.002","68.197","0.002","1210.83","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","1,3-Dmesityl-2-(3',4'-dimethyl-phospholyl)‒dihydro-1,3,2-diazaphosphole","","- C26 H32 N2 P2 -","- C26 H32 N2 P2 -","- C52 H64 N4 P4 -","2","1","","Sebastian Burck; Kathrin Götz; Martin Kaupp; Martin Nieger; Johannes Weber; Jörn Schmedt auf der Günne; Dietrich Gudat","Diphosphines with Strongly Polarized P-P Bonds: Hybrids between Covalent Molecules and Donor-Acceptor Adducts with Flexible Molecular Structures","Journal of the American Chemical Society","2009","131","","10763","10774","10.1021/ja903156p","","","0.71073","MoKα","","0.0469","0.0347","","","0.095","0.1005","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104756","8.5577","0.0003","26.0553","0.0011","13.8925","0.0007","90","","95.64","0.002","90","","3082.7","0.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-Bis(2',6'-dimethylphenyl)-2-2-(2',4'-dimethyl-3',5'-diphenylphospholyl)- dihydro-1,3,2-diazaphosphole","","- C36 H36 N2 P2 -","- C36 H36 N2 P2 -","- C144 H144 N8 P8 -","4","1","","Sebastian Burck; Kathrin Götz; Martin Kaupp; Martin Nieger; Johannes Weber; Jörn Schmedt auf der Günne; Dietrich Gudat","Diphosphines with Strongly Polarized P-P Bonds: Hybrids between Covalent Molecules and Donor-Acceptor Adducts with Flexible Molecular Structures","Journal of the American Chemical Society","2009","131","","10763","10774","10.1021/ja903156p","","","0.71073","MoKα","","0.1087","0.0481","","","0.0818","0.0931","","","","","","0.903","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104757","10.6195","0.0003","19.4211","0.0006","20.5732","0.0008","108.629","0.002","95.211","0.002","104.049","0.002","3834.5","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","1,3-(Bis-2,6-diisopropylphenyl)-2-(2',3',4',5'-tetraethylphospholyl)- 4,5-dimethyl-dihydro-1,3,2-diazaphosphole","","- C40 H60 N2 P2 -","- C40 H60 N2 P2 -","- C160 H240 N8 P8 -","4","2","","Sebastian Burck; Kathrin Götz; Martin Kaupp; Martin Nieger; Johannes Weber; Jörn Schmedt auf der Günne; Dietrich Gudat","Diphosphines with Strongly Polarized P-P Bonds: Hybrids between Covalent Molecules and Donor-Acceptor Adducts with Flexible Molecular Structures","Journal of the American Chemical Society","2009","131","","10763","10774","10.1021/ja903156p","","","0.71073","MoKα","","0.1418","0.0528","","","0.0898","0.1062","","","","","","0.849","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104758","17.238","0.002","14.184","0.002","4.1973","0.0006","90","","90","","90","","1026.3","0.2","100","2","100","2","","","","","","","","2","P m n 21","P 2ac -2","31","","triindeno[1,2,3-bc:1',2',3'-ef:1'',2'',3''-kl]corannulene","","- C38 H16 -","- C38 H16 -","- C76 H32 -","2","0.5","","Brian D. Steinberg; Edward A. Jackson; Alexander S. Filatov; Atsushi Wakamiya; Marina A. Petrukhina; Lawrence T. Scott","Aromatic π-Systems More Curved Than C60. The Complete Family of All Indenocorannulenes Synthesized by Iterative Microwave-Assisted Intramolecular Arylations","Journal of the American Chemical Society","2009","131","","10537","10545","10.1021/ja9031852","","","0.71073","MoKα","","0.0639","0.0493","","","0.1158","0.1241","","","","","","1.059","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104759","3.8711","0.0005","31.278","0.004","12.2437","0.0016","90","","93.423","0.002","90","","1479.8","0.3","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","monoindeno[1,2,3-bc]corannulene","","- C26 H12 -","- C26 H12 -","- C104 H48 -","4","1","","Brian D. Steinberg; Edward A. Jackson; Alexander S. Filatov; Atsushi Wakamiya; Marina A. Petrukhina; Lawrence T. Scott","Aromatic π-Systems More Curved Than C60. The Complete Family of All Indenocorannulenes Synthesized by Iterative Microwave-Assisted Intramolecular Arylations","Journal of the American Chemical Society","2009","131","","10537","10545","10.1021/ja9031852","","","0.71073","MoKα","","0.1492","0.0733","","","0.1206","0.1466","","","","","","0.994","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104760","22.801","0.011","19.793","0.01","3.9073","0.0019","90","","90","","90","","1763.4","1.5","100","2","100","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","diindeno[1,2,3-bc:1',2',3'-ef]corannulene","","- C32 H14 -","- C32 H14 -","- C128 H56 -","4","0.5","","Brian D. Steinberg; Edward A. Jackson; Alexander S. Filatov; Atsushi Wakamiya; Marina A. Petrukhina; Lawrence T. Scott","Aromatic π-Systems More Curved Than C60. The Complete Family of All Indenocorannulenes Synthesized by Iterative Microwave-Assisted Intramolecular Arylations","Journal of the American Chemical Society","2009","131","","10537","10545","10.1021/ja9031852","","","0.71073","Mo-Kα","","0.1779","0.0711","","","0.0956","0.1224","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104761","26.018","0.005","9.2556","0.0016","7.6909","0.0013","90","","90","","90","","1852.1","0.6","193","2","193","2","","","","","","","","2","C m c 21","C 2c -2","36","","diindeno[1,2,3-bc:1',2',3'-hi]corannulene","","- C32 H14 -","- C32 H14 -","- C128 H56 -","4","0.5","","Brian D. Steinberg; Edward A. Jackson; Alexander S. Filatov; Atsushi Wakamiya; Marina A. Petrukhina; Lawrence T. Scott","Aromatic π-Systems More Curved Than C60. The Complete Family of All Indenocorannulenes Synthesized by Iterative Microwave-Assisted Intramolecular Arylations","Journal of the American Chemical Society","2009","131","","10537","10545","10.1021/ja9031852","","","0.71073","MoKα","","0.0417","0.0381","","","0.0884","0.0905","","","","","","1.007","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104762","25.578","0.004","4.0865","0.0006","42.62","0.007","90","","101.367","0.003","90","","4367.5","1.2","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","triindeno[1,2,3-bc:1',2',3'-ef:1'',2'',3''-hi]corannulene","","- C38.25 H16 S0.5 -","- C38.25 H16 S0.5 -","- C306 H128 S4 -","8","2","","Brian D. Steinberg; Edward A. Jackson; Alexander S. Filatov; Atsushi Wakamiya; Marina A. Petrukhina; Lawrence T. Scott","Aromatic π-Systems More Curved Than C60. The Complete Family of All Indenocorannulenes Synthesized by Iterative Microwave-Assisted Intramolecular Arylations","Journal of the American Chemical Society","2009","131","","10537","10545","10.1021/ja9031852","","","0.71073","MoKα","","0.1126","0.0662","","","0.1538","0.1834","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104763","20.195","0.003","20.195","0.003","20.195","0.003","90","","90","","90","","8236","2","293","2","293","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C65 H24 In8 N36 O50 -","- C64.248 H21.912 In8 N34.13 O49.416 -","- C128.496 H43.824 In16 N68.26 O98.832 -","2","0.0416667","","Dorina F. Sava; Victor Ch. Kravtsov; Juergen Eckert; Jarrod F. Eubank; Farid Nouar; Mohamed Eddaoudi","Exceptional Stability and High Hydrogen Uptake in Hydrogen-Bonded Metal-Organic Cubes Possessing ACO and AST Zeolite-like Topologies","Journal of the American Chemical Society","2009","131","","10394","10396","10.1021/ja903287v","","","0.71073","MoKα","","0.1274","0.0442","","","0.0779","0.0868","","","","","","1.001","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104764","22.418","0.006","22.418","0.006","22.418","0.006","90","","90","","90","","11267","5","298","2","298","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C60 H50 In8 N45 O48 -","- C60 H32 In8 N42.28 O48 -","- C240 H128 In32 N169.12 O192 -","4","0.0416667","","Dorina F. Sava; Victor Ch. Kravtsov; Juergen Eckert; Jarrod F. Eubank; Farid Nouar; Mohamed Eddaoudi","Exceptional Stability and High Hydrogen Uptake in Hydrogen-Bonded Metal-Organic Cubes Possessing ACO and AST Zeolite-like Topologies","Journal of the American Chemical Society","2009","131","","10394","10396","10.1021/ja903287v","","","0.71073","MoKα","","0.1054","0.0611","","","0.1503","0.1665","","","","","","1","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104765","8.168","0.009","10.273","0.012","15.11","0.04","74.76","0.13","80.9","0.2","73.56","0.08","1168","4","298","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C24 H20 N4 O4 Ru -","- C24 H20 N4 O4 Ru -","- C48 H40 N8 O8 Ru2 -","2","1","","Lele Duan; Andreas Fischer; Yunhua Xu; Licheng Sun","Isolated Seven-Coordinate Ru(IV) Dimer Complex with [HOHOH]-Bridging Ligand as an Intermediate for Catalytic Water Oxidation","Journal of the American Chemical Society","2009","131","","10397","10399","10.1021/ja9034686","","","0.71073","MoKα","","0.0824","0.06","","","0.132","0.1445","","","","","","1.136","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104766","8.214","0.0006","13.284","0.004","14.513","0.004","79.7","0.02","87.324","0.013","83.863","0.015","1548.5","0.7","173","","","","","","","","","","Local laboratory","7","P -1","-P 1","2","","","","- C52 H53 F18 N10 O12 P3 Ru2 -","- C52 H53 F18 N10 O12 P3 Ru2 -","- C52 H53 F18 N10 O12 P3 Ru2 -","1","0.5","","Lele Duan; Andreas Fischer; Yunhua Xu; Licheng Sun","Isolated Seven-Coordinate Ru(IV) Dimer Complex with [HOHOH]-Bridging Ligand as an Intermediate for Catalytic Water Oxidation","Journal of the American Chemical Society","2009","131","","10397","10399","10.1021/ja9034686","","","0.71073","MoKα","","0.063","0.042","","","0.0954","0.1037","","","","","","1.053","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104767","9.7889","0.0005","17.493","0.0009","14.3574","0.0008","90","","97.52","0.0015","90","","2437.4","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H78 Ni2 O2 P2 -","- C48 H78 Ni2 O2 P2 -","- C96 H156 Ni4 O4 P4 -","2","0.5","","Sensuke Ogoshi; Toshifumi Haba; Masato Ohashi","Nickel-Catalyzed Direct Conjugate Addition of Simple Alkenes to Enones","Journal of the American Chemical Society","2009","131","","10350","10351","10.1021/ja903510u","","","0.71074","MoKα","","0.0694","0.0374","","","0.0934","0.1109","","","","","","1.062","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4104768","10.2869","0.0002","18.8067","0.0002","14.3938","0.0006","90","","93.17","0.003","90","","2780.4","0.13","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H90 Ni2 O2 P2 -","- C60 H90 Ni2 O2 P2 -","- C120 H180 Ni4 O4 P4 -","2","0.5","","Sensuke Ogoshi; Toshifumi Haba; Masato Ohashi","Nickel-Catalyzed Direct Conjugate Addition of Simple Alkenes to Enones","Journal of the American Chemical Society","2009","131","","10350","10351","10.1021/ja903510u","","","0.71069","MoKα","","0.0782","0.0474","","","0.093","0.1013","","","","","","0.978","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104769","6.6925","0.0006","11.4684","0.001","20.9665","0.0018","90","","90","","90","","1609.2","0.2","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","","Mathieu Branca; Sébastien Pena; Régis Guillot; Didier Gori; Valérie Alezra; Cyrille Kouklovsky","Memory of Chirality of Tertiary Aromatic Amides: A Simple and Efficient Method for the Enantioselective Synthesis of Quaternary α-Amino Acids","Journal of the American Chemical Society","2009","131","","10711","10718","10.1021/ja9039604","","x-ray","0.71073","MoKα","","0.0426","0.0382","","","0.0952","0.0989","","","","","","1.096","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104770","7.866","0.0003","6.7057","0.0002","14.2336","0.0005","90","","105.39","0.001","90","","723.86","0.04","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C34 H34 N2 O6 -","2","1","","Mathieu Branca; Sébastien Pena; Régis Guillot; Didier Gori; Valérie Alezra; Cyrille Kouklovsky","Memory of Chirality of Tertiary Aromatic Amides: A Simple and Efficient Method for the Enantioselective Synthesis of Quaternary α-Amino Acids","Journal of the American Chemical Society","2009","131","","10711","10718","10.1021/ja9039604","","x-ray","0.71073","MoKα","","0.0502","0.044","","","0.1144","0.1218","","","","","","1.063","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104771","7.713","0.005","14.863","0.005","31.233","0.005","90","","90","","90","","3580","3","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C184 H168 N8 O24 -","8","1","","Mathieu Branca; Sébastien Pena; Régis Guillot; Didier Gori; Valérie Alezra; Cyrille Kouklovsky","Memory of Chirality of Tertiary Aromatic Amides: A Simple and Efficient Method for the Enantioselective Synthesis of Quaternary α-Amino Acids","Journal of the American Chemical Society","2009","131","","10711","10718","10.1021/ja9039604","","x-ray","0.71069","MoKα","","0.0969","0.0781","","","0.192","0.1995","","","","","","1.172","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104772","7.6288","0.0003","19.7515","0.001","24.028","0.001","75.136","0.002","82.376","0.002","88.422","0.002","3468.4","0.3","100","1","100","1","","","","","","","","5","P 1","P 1","1","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C152 H168 N8 O24 S8 -","8","8","","Mathieu Branca; Sébastien Pena; Régis Guillot; Didier Gori; Valérie Alezra; Cyrille Kouklovsky","Memory of Chirality of Tertiary Aromatic Amides: A Simple and Efficient Method for the Enantioselective Synthesis of Quaternary α-Amino Acids","Journal of the American Chemical Society","2009","131","","10711","10718","10.1021/ja9039604","","x-ray","0.71073","MoKα","","0.0617","0.0511","","","0.1227","0.1286","","","","","","1.043","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104773","10.7125","0.0015","7.4605","0.0009","11.5388","0.0017","90","","91.512","0.004","90","","921.9","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C40 H46 N2 O6 S2 -","2","1","","Mathieu Branca; Sébastien Pena; Régis Guillot; Didier Gori; Valérie Alezra; Cyrille Kouklovsky","Memory of Chirality of Tertiary Aromatic Amides: A Simple and Efficient Method for the Enantioselective Synthesis of Quaternary α-Amino Acids","Journal of the American Chemical Society","2009","131","","10711","10718","10.1021/ja9039604","","x-ray","0.71073","MoKα","","0.0452","0.0395","","","0.0983","0.1021","","","","","","1.035","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104774","13.8645","0.0003","16.9859","0.0003","20.7527","0.0004","97.901","0.001","99.315","0.001","92.528","0.001","4766.03","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H112 B2 Fe2 N4 P6 -","- C114 H112 B2 Fe2 N4 P6 -","- C228 H224 B4 Fe4 N8 P12 -","2","1","","Caroline T. Saouma; Peter Müller; Jonas C. Peters","Characterization of Structurally Unusual Diiron NxHy Complexes","Journal of the American Chemical Society","2009","131","","10358","10359","10.1021/ja903967z","","","1.54178","CuKα","","0.0626","0.0558","","","0.1503","0.1557","","","","","","1.059","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104775","15.914","0.003","27.596","0.004","25.488","0.004","90","","97.306","0.003","90","","11103","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H202 B2 Fe2 N4 O3 P6 -","- C110 H202 B2 Fe2 N4 O3 P6 -","- C440 H808 B8 Fe8 N16 O12 P24 -","4","0.5","","Caroline T. Saouma; Peter Müller; Jonas C. Peters","Characterization of Structurally Unusual Diiron NxHy Complexes","Journal of the American Chemical Society","2009","131","","10358","10359","10.1021/ja903967z","","","0.71073","MoKα","","0.1471","0.1303","","","0.3042","0.312","","","","","","1.265","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104776","16.47","0.002","27.384","0.004","25.154","0.005","90","","93.697","0.002","90","","11321","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H204 B2 Fe2 N4 O4 P6 -","- C110 H204 B2 Fe2 N4 O4 P6 -","- C440 H816 B8 Fe8 N16 O16 P24 -","4","0.5","","Caroline T. Saouma; Peter Müller; Jonas C. Peters","Characterization of Structurally Unusual Diiron NxHy Complexes","Journal of the American Chemical Society","2009","131","","10358","10359","10.1021/ja903967z","","","0.71073","MoKα","","0.1417","0.0717","","","0.152","0.2045","","","","","","1.203","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104777","13.57","0.0017","13.8818","0.0019","28.049","0.005","95.483","0.004","95.884","0.004","118.639","0.002","4549.1","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H104 B2 Fe2 N4 P6 -","- C108 H104 B2 Fe2 N4 P6 -","- C216 H208 B4 Fe4 N8 P12 -","2","1","","Caroline T. Saouma; Peter Müller; Jonas C. Peters","Characterization of Structurally Unusual Diiron NxHy Complexes","Journal of the American Chemical Society","2009","131","","10358","10359","10.1021/ja903967z","","","0.71073","MoKα","","0.1172","0.0676","","","0.1718","0.205","","","","","","1.037","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104778","16.4689","0.0004","14.2851","0.0003","37.7006","0.0008","90","","101.267","0.001","90","","8698.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C105 H114 B2 Fe2 N2 P6 -","- C105 H114.001 B2 Fe2 N2.001 P6 -","- C420 H456.004 B8 Fe8 N8.004 P24 -","4","1","","Caroline T. Saouma; Peter Müller; Jonas C. Peters","Characterization of Structurally Unusual Diiron NxHy Complexes","Journal of the American Chemical Society","2009","131","","10358","10359","10.1021/ja903967z","","","1.54178","CuKα","","0.0642","0.0542","","","0.1292","0.1354","","","","","","1.058","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104779","10.7606","0.0018","14.085","0.002","21.094","0.004","90.729","0.002","90.393","0.002","95.057","0.002","3184.3","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 F6 Mo N2 O -","- C32 H40 F6 Mo N2 O -","- C128 H160 F24 Mo4 N8 O4 -","4","2","","Yeon-Ju Lee; Richard R. Schrock; Amir H. Hoveyda","Endo-Selective Enyne Ring-Closing Metathesis Promoted by Stereogenic-at-Mo Monoalkoxide and Monoaryloxide Complexes. Efficient Synthesis of Cyclic Dienes Not Accessible through Reactions with Ru Carbenes","Journal of the American Chemical Society","2009","131","","10652","10661","10.1021/ja904098h","","","0.71073","MoKα","","0.0716","0.051","","","0.1033","0.1109","","","","","","1.028","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104780","43.321","0.007","12.988","0.002","14.383","0.002","90","","106.856","0.002","90","","7745","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H50 Mo N2 O -","- C46 H50 Mo N2 O -","- C368 H400 Mo8 N16 O8 -","8","1","","Yeon-Ju Lee; Richard R. Schrock; Amir H. Hoveyda","Endo-Selective Enyne Ring-Closing Metathesis Promoted by Stereogenic-at-Mo Monoalkoxide and Monoaryloxide Complexes. Efficient Synthesis of Cyclic Dienes Not Accessible through Reactions with Ru Carbenes","Journal of the American Chemical Society","2009","131","","10652","10661","10.1021/ja904098h","","","0.71073","MoKα","","0.048","0.037","","","0.0796","0.0842","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104781","12.414","0.003","27.088","0.006","13.856","0.004","90","","103.893","0.004","90","","4523","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H57.96 Br0.04 Mo N2 O -","- C58 H57.962 Br0.038 Mo N2 O -","- C232 H231.848 Br0.152 Mo4 N8 O4 -","4","1","","Yeon-Ju Lee; Richard R. Schrock; Amir H. Hoveyda","Endo-Selective Enyne Ring-Closing Metathesis Promoted by Stereogenic-at-Mo Monoalkoxide and Monoaryloxide Complexes. Efficient Synthesis of Cyclic Dienes Not Accessible through Reactions with Ru Carbenes","Journal of the American Chemical Society","2009","131","","10652","10661","10.1021/ja904098h","","","0.71073","MoKα","","0.1359","0.0735","","","0.1238","0.1454","","","","","","1.057","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104782","9.2507","0.0019","8.0261","0.0016","22.16","0.004","90","","101.61","0.03","90","","1611.7","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O2 S -","- C17 H21 N O2 S -","- C68 H84 N4 O8 S4 -","4","2","","Yeon-Ju Lee; Richard R. Schrock; Amir H. Hoveyda","Endo-Selective Enyne Ring-Closing Metathesis Promoted by Stereogenic-at-Mo Monoalkoxide and Monoaryloxide Complexes. Efficient Synthesis of Cyclic Dienes Not Accessible through Reactions with Ru Carbenes","Journal of the American Chemical Society","2009","131","","10652","10661","10.1021/ja904098h","","","0.71073","MoKα","","0.076","0.0477","","","0.0854","0.0963","","","","","","0.995","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104783","14.7945","0.0008","7.6873","0.0005","10.2968","0.0008","90","","107.147","0.003","90","","1119","0.13","153","2","153","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C27 H18 Br2 -","- C27 H18 Br2 -","- C54 H36 Br4 -","2","0.5","","Xiaotao Pu; Xiangbing Qi; Joseph M. Ready","Allenes in Asymmetric Catalysis: Asymmetric Ring Opening of meso-Epoxides Catalyzed by Allene-Containing Phosphine Oxides","Journal of the American Chemical Society","2009","131","","10364","10365","10.1021/ja9041127","","","0.7107","MoKα","","0.0378","0.0322","","","0.0757","0.079","","","","","","1.062","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104784","10.8456","0.0004","16.0031","0.0005","11.1904","0.0005","90","","96.834","0.002","90","","1928.44","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H40 O3 P2 -","- C51 H40 O3 P2 -","- C102 H80 O6 P4 -","2","1","","Xiaotao Pu; Xiangbing Qi; Joseph M. Ready","Allenes in Asymmetric Catalysis: Asymmetric Ring Opening of meso-Epoxides Catalyzed by Allene-Containing Phosphine Oxides","Journal of the American Chemical Society","2009","131","","10364","10365","10.1021/ja9041127","","","1.5418","CuKα","","0.0829","0.0583","","","0.1005","0.1219","","","","","","1.145","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104785","21.7401","0.0005","19.5657","0.001","54.261","0.002","90","","94.895","0.001","90","","22996.3","1.5","123","1","123","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Final","Final","","- C180 H168 B8 F32 N24 P8 Pd4 -","- C180 H168 B8 F32 N24 P8 Pd4 -","- C720 H672 B32 F128 N96 P32 Pd16 -","4","1","","Jinzhen Lu; David R. Turner; Lindsay P. Harding; Lindsay T. Byrne; Murray V. Baker; Stuart R. Batten","Octapi Interactions: Self-Assembly of a Pd-Based [2]Catenane Driven by Eightfold π Interactions","Journal of the American Chemical Society","2009","131","","10372","10373","10.1021/ja9041912","","","0.71073","MoKα","","0.1529","0.0946","","","0.2524","0.2846","","","","","","1.053","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104786","28.414","0.012","41.636","0.008","29.307","0.007","90","","90","","90","","34672","18","123","2","123","2","","","","","","","","9","P n n a","-P 2a 2bc","52","{[(dppp)Pd(LPr)]2.4OTF}4.5Toluene","{[(dppp)Pd(LPr)]2.4OTF}.4.5Toluene","","- C127.5 H125.5 F12 N12 O12 P4 Pd2 Pt0 S4 -","- C127.5 H124 F12 N12 O12 P4 Pd2 S4 -","- C1020 H992 F96 N96 O96 P32 Pd16 S32 -","8","1","","Jinzhen Lu; David R. Turner; Lindsay P. Harding; Lindsay T. Byrne; Murray V. Baker; Stuart R. Batten","Octapi Interactions: Self-Assembly of a Pd-Based [2]Catenane Driven by Eightfold π Interactions","Journal of the American Chemical Society","2009","131","","10372","10373","10.1021/ja9041912","","","0.77343","Synchrotron","","0.1668","0.1487","","","0.434","0.4549","","","","","","2.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104787","6.7723","0.0004","14.7754","0.0009","18.9647","0.001","110.205","0.003","100.064","0.003","90.673","0.004","1748.15","0.18","150","2","150","2","","","","","","","Leszek Rupnicki","5","P 1","P 1","1","","","","- C19 H21 N O4 S -","- C19 H21 N O4 S -","- C76 H84 N4 O16 S4 -","4","4","","Leszek Rupnicki; Aakarsh Saxena; Hon Wai Lam","Aromatic Heterocycles as Activating Groups for Asymmetric Conjugate Addition Reactions. Enantioselective Copper-Catalyzed Reduction of 2-Alkenylheteroarenes","Journal of the American Chemical Society","2009","131","","10386","10387","10.1021/ja904365h","","","0.71073","MoKα","","0.08","0.0712","","","0.167","0.1762","","","","","","1.039","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104788","10.9142","0.0015","16.979","0.002","25.765","0.004","90","","100.067","0.003","90","","4701.1","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H76 N8 Si6 U2 -","- C30 H76 N8 Si6 U2 -","- C120 H304 N32 Si24 U8 -","4","1","","Benedict M. Gardner; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","A Crystallizable Dinuclear Tuck-In-Tuck-Over Tuck-Over Dialkyl Tren Uranium Complex and Double Dearylation of BPh4- To Give the BPh2-Functionalized Metallocycle [U{N(CH2CH2NSiMe3)2(CH2CH2NSiMe2CHBPh2)}(THF)]","Journal of the American Chemical Society","2009","131","","10388","10389","10.1021/ja904459q","","","0.71073","MoKα","","0.0481","0.0282","","","0.0563","0.0616","","","","","","1.016","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104789","10.0582","0.001","18.9912","0.0019","19.5054","0.0019","90","","100.881","0.002","90","","3658.9","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 B N4 O Si3 U -","- C31 H55 B N4 O Si3 U -","- C124 H220 B4 N16 O4 Si12 U4 -","4","1","","Benedict M. Gardner; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","A Crystallizable Dinuclear Tuck-In-Tuck-Over Tuck-Over Dialkyl Tren Uranium Complex and Double Dearylation of BPh4- To Give the BPh2-Functionalized Metallocycle [U{N(CH2CH2NSiMe3)2(CH2CH2NSiMe2CHBPh2)}(THF)]","Journal of the American Chemical Society","2009","131","","10388","10389","10.1021/ja904459q","","","0.71073","MoKα","","0.0635","0.04","","","0.0695","0.0747","","","","","","1.043","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104790","8.4421","0.0017","10.189","0.002","12.446","0.003","90","","104.63","0.03","90","","1035.9","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Br N O2 -","- C24 H20 Br N O2 -","- C48 H40 Br2 N2 O4 -","2","1","","Luo Yang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Cr(III)(salen)Cl Catalyzed Enantioselective Intramolecular Addition of Tertiary Enamides to Ketones: A General Access to Enantioenriched 1H-Pyrrol-2(3H)-one Derivatives Bearing a Hydroxylated Quaternary Carbon Atom","Journal of the American Chemical Society","2009","131","","10390","10391","10.1021/ja904534t","","","0.71073","MoKα","","0.0773","0.0371","","","0.0503","0.0586","","","","","","0.651","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104791","7.1582","0.0014","12.936","0.003","11.286","0.002","90","","91.01","0.03","90","","1044.9","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H25 N O4 -","- C26 H25 N O4 -","- C52 H50 N2 O8 -","2","1","","Luo Yang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Cr(III)(salen)Cl Catalyzed Enantioselective Intramolecular Addition of Tertiary Enamides to Ketones: A General Access to Enantioenriched 1H-Pyrrol-2(3H)-one Derivatives Bearing a Hydroxylated Quaternary Carbon Atom","Journal of the American Chemical Society","2009","131","","10390","10391","10.1021/ja904534t","","","0.71073","MoKα","","0.0437","0.0375","","","0.0857","0.0973","","","","","","1.126","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104792","6.069","0.0004","12.594","0.002","15.485","0.0007","90","","90","","90","","1183.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","fidarestat","((2S,4S)-6-fluoro-2',5'-dioxospiro[chroman-4,4'-imidazolidine]-2-carboxamide","","- C12 H10 F N3 O4 -","- C12 H10 F N3 O4 -","- C48 H40 F4 N12 O16 -","4","1","","Bertrand Fournier; El-Eulmi Bendeif; Benoît Guillot; Alberto Podjarny; Claude Lecomte; Christian Jelsch","Charge Density and Electrostatic Interactions of Fidarestat, an Inhibitor of Human Aldose Reductase","Journal of the American Chemical Society","2009","131","","10929","10941","10.1021/ja8095015","","","0.45","synchrotron","","0.0374","0.0374","","","0.0198","0.0198","","","","","","0.398","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104793","14.918","0.005","15.596","0.005","16.442","0.005","90","","105.606","0.005","90","","3684","2","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Mn2 N6 O13 -","- C34 H34 Mn2 N6 O13 -","- C136 H136 Mn8 N24 O52 -","4","1","","Madhab C. Das; Parimal K. Bharadwaj","A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules","Journal of the American Chemical Society","2009","131","","10942","10949","10.1021/ja9006035","","","0.71069","MoKα","","0.1016","0.0731","","","0.141","0.2045","","","","","","1.044","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104794","17.777","0.007","15.303","0.005","16.267","0.006","90","","113.51","0.005","90","","4058","3","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H35 Mn2 N9 O8 -","- C38 H35 Mn2 N9 O8 -","- C152 H140 Mn8 N36 O32 -","4","0.5","","Madhab C. Das; Parimal K. Bharadwaj","A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules","Journal of the American Chemical Society","2009","131","","10942","10949","10.1021/ja9006035","","","0.71069","MoKα","","0.0932","0.0649","","","0.1537","0.2191","","","","","","1.051","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104795","18.237","0.006","15.078","0.003","16.285","0.005","90","","114.835","0.005","90","","4064","2","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Mn N4 O4 -","- C20 H16 Mn N4 O4 -","- C160 H128 Mn8 N32 O32 -","8","1","","Madhab C. Das; Parimal K. Bharadwaj","A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules","Journal of the American Chemical Society","2009","131","","10942","10949","10.1021/ja9006035","","","0.71069","MoKα","","0.108","0.072","","","0.1844","0.244","","","","","","1.075","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104796","18.826","0.007","14.89","0.002","16.288","0.004","90","","112.937","0.006","90","","4205","2","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Mn N4 O4 -","- C22 H20 Mn N4 O4 -","- C176 H160 Mn8 N32 O32 -","8","1","","Madhab C. Das; Parimal K. Bharadwaj","A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules","Journal of the American Chemical Society","2009","131","","10942","10949","10.1021/ja9006035","","","0.71069","MoKα","","0.1072","0.0701","","","0.1849","0.2352","","","","","","1.047","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104797","18.874","0.006","14.891","0.005","16.299","0.004","90","","114.015","0.002","90","","4184","2","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Mn N4 O4 -","- C22 H20 Mn N4 O4 -","- C176 H160 Mn8 N32 O32 -","8","1","","Madhab C. Das; Parimal K. Bharadwaj","A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules","Journal of the American Chemical Society","2009","131","","10942","10949","10.1021/ja9006035","","","0.71069","MoKα","","0.1181","0.0733","","","0.187","0.2406","","","","","","1.044","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104798","18.406","0.007","15.041","0.005","16.344","0.004","90","","111.54","0.004","90","","4209","2","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Mn2 N6 O15 -","- C34 H34 Mn2 N6 O15 -","- C136 H136 Mn8 N24 O60 -","4","0.5","","Madhab C. Das; Parimal K. Bharadwaj","A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules","Journal of the American Chemical Society","2009","131","","10942","10949","10.1021/ja9006035","","","0.71069","MoKα","","0.1011","0.0649","","","0.1511","0.2207","","","","","","1.053","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104799","18.409","0.007","15.009","0.006","16.341","0.006","90","","111.682","0.007","90","","4196","3","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Mn2 N6 O15 -","- C34 H34 Mn2 N6 O15 -","- C136 H136 Mn8 N24 O60 -","4","0.5","","Madhab C. Das; Parimal K. Bharadwaj","A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules","Journal of the American Chemical Society","2009","131","","10942","10949","10.1021/ja9006035","","","0.71069","MoKα","","0.1079","0.0675","","","0.1549","0.2241","","","","","","1.078","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104800","18.408","0.006","15.037","0.005","16.357","0.006","90","","111.575","0.005","90","","4210","2","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Mn2 N6 O15 -","- C34 H34 Mn2 N6 O15 -","- C136 H136 Mn8 N24 O60 -","4","0.5","","Madhab C. Das; Parimal K. Bharadwaj","A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules","Journal of the American Chemical Society","2009","131","","10942","10949","10.1021/ja9006035","","","0.71069","MoKα","","0.1064","0.0645","","","0.1524","0.2114","","","","","","1.064","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104801","18.421","0.005","15.029","0.004","16.355","0.005","90","","111.668","0.006","90","","4208","2","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Mn2 N6 O15 -","- C34 H34 Mn2 N6 O15 -","- C136 H136 Mn8 N24 O60 -","4","0.5","","Madhab C. Das; Parimal K. Bharadwaj","A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules","Journal of the American Chemical Society","2009","131","","10942","10949","10.1021/ja9006035","","","0.71069","MoKα","","0.1024","0.0637","","","0.1586","0.221","","","","","","1.052","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104802","18.343","0.006","15.054","0.004","16.343","0.005","90","","111.808","0.004","90","","4190","2","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Mn2 N6 O15 -","- C34 H34 Mn2 N6 O15 -","- C136 H136 Mn8 N24 O60 -","4","0.5","","Madhab C. Das; Parimal K. Bharadwaj","A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules","Journal of the American Chemical Society","2009","131","","10942","10949","10.1021/ja9006035","","","0.71069","MoKα","","0.1019","0.0633","","","0.1515","0.2186","","","","","","1.065","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104803","18.278","0.006","15.032","0.004","16.444","0.005","90","","112.032","0.005","90","","4188","2","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Mn2 N6 O15 -","- C34 H38 Mn2 N6 O15 -","- C136 H152 Mn8 N24 O60 -","4","0.5","","Madhab C. Das; Parimal K. Bharadwaj","A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules","Journal of the American Chemical Society","2009","131","","10942","10949","10.1021/ja9006035","","","0.71069","MoKα","","0.1024","0.0615","","","0.1497","0.2141","","","","","","1.065","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104804","11.5336","0.0016","22.057","0.003","20.237","0.003","90","","105.548","0.002","90","","4959.8","1.2","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","La@C80C6H3Cl2","La@C80C6H3Cl2","","- C96.5 H15 Cl2 La -","- C96.5 H15 Cl2 La0.9998 -","- C386 H60 Cl8 La3.9992 -","4","1","","Hidefumi Nikawa; Tomoya Yamada; Baopeng Cao; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Takeshi Akasaka; Kenji Yoza; Shigeru Nagase","Missing Metallofullerene with C80 Cage","Journal of the American Chemical Society","2009","131","","10950","10954","10.1021/ja900972r","","x-ray","0.71073","MoKα","","0.1155","0.0983","","","0.2288","0.239","","","","","","1.118","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104805","12.0071","0.001","13.9633","0.0011","15.6648","0.0013","90","","101.654","0.001","90","","2572.2","0.4","85","2","85","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 N2 O4 Pd -","- C32 H28 N2 O4 Pd -","- C128 H112 N8 O16 Pd4 -","4","0.5","","Joy M. Racowski; Allison R. Dick; Melanie S. Sanford","Detailed Study of C-O and C-C Bond-Forming Reductive Elimination from Stable C2N2O2-Ligated Palladium(IV) Complexes","Journal of the American Chemical Society","2009","131","","10974","10983","10.1021/ja9014474","","","0.71073","MoKα","","0.0397","0.034","","","0.0774","0.0796","","","","","","1.124","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104806","27.265","0.002","14.1208","0.0011","16.7774","0.0014","90","","112.087","0.001","90","","5985.3","0.8","85","2","85","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 N2 O4 Pd -","- C34 H38 N2 O4 Pd -","- C272 H304 N16 O32 Pd8 -","8","1","","Joy M. Racowski; Allison R. Dick; Melanie S. Sanford","Detailed Study of C-O and C-C Bond-Forming Reductive Elimination from Stable C2N2O2-Ligated Palladium(IV) Complexes","Journal of the American Chemical Society","2009","131","","10974","10983","10.1021/ja9014474","","","0.71073","MoKα","","0.0625","0.0565","","","0.1712","0.1795","","","","","","1.067","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104807","7.2574","0.0013","7.2574","0.0013","7.256","0.003","90","","90","","90","","382.17","0.19","375","2","375","2","","","","","","","","5","P 4/m m m","-P 4 2","123","[Fe(pz)Ni(CN)4]","","","- C8 H4 Fe N6 Ni -","- C8 H4 Fe N6 Ni -","- C8 H4 Fe N6 Ni -","1","0.0625","","Peter D. Southon; Lang Liu; Elizabeth A. Fellows; David J. Price; Gregory J. Halder; Karena W. Chapman; Boujemaa Moubaraki; Keith S. Murray; Jean-François Létard; Cameron J. Kepert","Dynamic Interplay between Spin-Crossover and Host-Guest Function in a Nanoporous Metal-Organic Framework Material","Journal of the American Chemical Society","2009","131","","10998","11009","10.1021/ja902187d","","","0.71073","MoKα","","0.0969","0.0464","","","0.0994","0.1182","","","","","","0.962","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104808","7.1139","0.0003","6.9109","0.0004","6.7799","0.0003","90","","90","","90","","333.32","0.03","150","2","150","2","","","","","","","","6","P m m m","-P 2 2","47","[Fe(pz)Ni(CN)4].2H2O","","","- C8 H8 Fe N6 Ni O2 -","- C8 H4 Fe N6 Ni O1.998 -","- C8 H4 Fe N6 Ni O1.998 -","1","0.125","","Peter D. Southon; Lang Liu; Elizabeth A. Fellows; David J. Price; Gregory J. Halder; Karena W. Chapman; Boujemaa Moubaraki; Keith S. Murray; Jean-François Létard; Cameron J. Kepert","Dynamic Interplay between Spin-Crossover and Host-Guest Function in a Nanoporous Metal-Organic Framework Material","Journal of the American Chemical Society","2009","131","","10998","11009","10.1021/ja902187d","","","0.71073","MoKα","","0.0394","0.0334","","","0.0885","0.0936","","","","","","1.118","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104809","7.028","0.003","7.01","0.003","6.725","0.002","90","","90","","90","","331.3","0.2","150","2","150","2","","","","","","","","6","P m m m","-P 2 2","47","[Fe(pz)Ni(CN)4].2H2O","","","- C8 H8 Fe N6 Ni O2 -","- C8 H4 Fe N6 Ni O2 -","- C8 H4 Fe N6 Ni O2 -","1","0.125","","Peter D. Southon; Lang Liu; Elizabeth A. Fellows; David J. Price; Gregory J. Halder; Karena W. Chapman; Boujemaa Moubaraki; Keith S. Murray; Jean-François Létard; Cameron J. Kepert","Dynamic Interplay between Spin-Crossover and Host-Guest Function in a Nanoporous Metal-Organic Framework Material","Journal of the American Chemical Society","2009","131","","10998","11009","10.1021/ja902187d","","","0.71073","MoKα","","0.0688","0.0362","","","0.0779","0.0943","","","","","","1.153","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104810","7.2666","0.0003","7.2696","0.0003","7.2421","0.0003","90","","90","","90","","382.57","0.03","301","2","301","2","","","","","","","","6","P m m m","-P 2 2","47","[Fe(pz)Ni(CN)4].2H2O","","","- C8 H8 Fe N6 Ni O2 -","- C8 H4 Fe N6 Ni O1.984 -","- C8 H4 Fe N6 Ni O1.984 -","1","0.125","","Peter D. Southon; Lang Liu; Elizabeth A. Fellows; David J. Price; Gregory J. Halder; Karena W. Chapman; Boujemaa Moubaraki; Keith S. Murray; Jean-François Létard; Cameron J. Kepert","Dynamic Interplay between Spin-Crossover and Host-Guest Function in a Nanoporous Metal-Organic Framework Material","Journal of the American Chemical Society","2009","131","","10998","11009","10.1021/ja902187d","","","0.71073","MoKα","","0.0541","0.0393","","","0.1083","0.12","","","","","","1.227","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104811","8.01","0.002","10.902","0.002","20.373","0.005","90","","90","","90","","1779.1","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 Br N2 O -","- C20 H25 Br N2 O -","- C80 H100 Br4 N8 O4 -","4","1","","Michael E. Muratore; Chloe A. Holloway; Adam W. Pilling; R. Ian Storer; Graham Trevitt; Darren J. Dixon","Enantioselective Brønsted Acid-Catalyzed N-Acyliminium Cyclization Cascades","Journal of the American Chemical Society","2009","131","","10796","10797","10.1021/ja9024885","","","0.71073","MoKα","","0.0535","0.0399","","","0.0699","0.0733","","","","","","0.969","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104812","10.82","0.15","11.82","0.18","12.36","0.18","63.7","0.3","75.1","0.3","84.1","0.4","1369","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[BTBr][B(C6F5)3]","","","- C48 H6 B2 Br2 F30 N4 S2 -","- C48 H6 B2 Br2 F30 N4 S2 -","- C48 H6 B2 Br2 F30 N4 S2 -","1","0.5","","Gregory C. Welch; Robert Coffin; Jeff Peet; Guillermo C. Bazan","Band Gap Control in Conjugated Oligomers via Lewis Acids","Journal of the American Chemical Society","2009","131","","10802","10803","10.1021/ja902789w","","","0.71073","MoKα","","0.0655","0.0433","","","0.1132","0.1274","","","","","","1.028","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4104813","13.283","0.004","24.629","0.008","32.79","0.01","80.537","0.005","83.396","0.004","80.793","0.005","10401","6","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","holkd15","(diketiminate)cobalt(II) hydride dimer","","- C77 H116 Co2 N4 -","- C77 H116 Co2 N4 -","- C462 H696 Co12 N24 -","6","3","","Keying Ding; William W. Brennessel; Patrick L. Holland","Three-Coordinate and Four-Coordinate Cobalt Hydride Complexes That React with Dinitrogen","Journal of the American Chemical Society","2009","131","","10804","10805","10.1021/ja902812y","","","0.71073","MoKα","","0.1656","0.0732","","","0.1358","0.1699","","","","","","1.007","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104814","14.078","0.002","15.47","0.002","19.469","0.003","75.232","0.002","69.676","0.002","77.776","0.002","3809.1","0.9","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","holkd18","potassium (diketiminate)cobalt(I) hydride","","- C78 H123 Co2 K2 N4 -","- C78 H123 Co2 K2 N4 -","- C156 H246 Co4 K4 N8 -","2","1","","Keying Ding; William W. Brennessel; Patrick L. Holland","Three-Coordinate and Four-Coordinate Cobalt Hydride Complexes That React with Dinitrogen","Journal of the American Chemical Society","2009","131","","10804","10805","10.1021/ja902812y","","","0.71073","MoKα","","0.0865","0.0467","","","0.1106","0.1267","","","","","","1.026","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104815","9.6029","0.0006","17.8932","0.0012","21.6988","0.0014","90","","95.06","0.001","90","","3713.9","0.4","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","holkd21","(diketiminate)cobalt(II) cyclohexyl","","- C41 H64 Co N2 -","- C41 H64 Co N2 -","- C164 H256 Co4 N8 -","4","1","","Keying Ding; William W. Brennessel; Patrick L. Holland","Three-Coordinate and Four-Coordinate Cobalt Hydride Complexes That React with Dinitrogen","Journal of the American Chemical Society","2009","131","","10804","10805","10.1021/ja902812y","","","0.71073","MoKα","","0.1","0.0537","","","0.1115","0.131","","","","","","1.012","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104816","12.2397","0.0006","12.8327","0.0006","15.0834","0.0007","74.211","0.001","82.325","0.001","73.693","0.001","2183.83","0.18","168","2","168","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H148 Dy2 N2 O12 -","- C88 H148 Dy2 N2 O12 -","- C88 H148 Dy2 N2 O12 -","1","0.5","","William J. Evans; Ming Fang; Gaël Zucchi; Filipp Furche; Joseph W. Ziller; Ryan M. Hoekstra; Jeffrey I. Zink","Isolation of Dysprosium and Yttrium Complexes of a Three-Electron Reduction Product in the Activation of Dinitrogen, the (N2)3- Radical","Journal of the American Chemical Society","2009","131","","11195","11202","10.1021/ja9036753","","","0.71073","MoKα","","0.0625","0.0441","","","0.1028","0.1131","","","","","","1.083","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104817","15.5427","0.0005","12.0654","0.0004","24.6783","0.0008","90","","105.225","0.001","90","","4465.5","0.3","178","2","178","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H132 Dy2 N2 O8 -","- C86 H132 Dy2 N2 O8 -","- C172 H264 Dy4 N4 O16 -","2","0.5","","William J. Evans; Ming Fang; Gaël Zucchi; Filipp Furche; Joseph W. Ziller; Ryan M. Hoekstra; Jeffrey I. Zink","Isolation of Dysprosium and Yttrium Complexes of a Three-Electron Reduction Product in the Activation of Dinitrogen, the (N2)3- Radical","Journal of the American Chemical Society","2009","131","","11195","11202","10.1021/ja9036753","","","0.71073","MoKα","","0.0804","0.0494","","","0.1476","0.1664","","","","","","1.122","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104818","12.8686","0.0006","13.3829","0.0006","16.2559","0.0007","109.267","0.0007","99.9592","0.0008","104.579","0.0008","2455.21","0.19","138","2","138","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H164 Dy2 K N2 O14 -","- C96 H164 Dy2 K N2 O14 -","- C96 H164 Dy2 K N2 O14 -","1","0.5","","William J. Evans; Ming Fang; Gaël Zucchi; Filipp Furche; Joseph W. Ziller; Ryan M. Hoekstra; Jeffrey I. Zink","Isolation of Dysprosium and Yttrium Complexes of a Three-Electron Reduction Product in the Activation of Dinitrogen, the (N2)3- Radical","Journal of the American Chemical Society","2009","131","","11195","11202","10.1021/ja9036753","","","0.71073","MoKα","","0.0546","0.0369","","","0.0853","0.0948","","","","","","1.083","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104819","14.0906","0.0009","18.0226","0.0012","19.2315","0.0013","68.061","0.0011","85.6165","0.0011","68.4163","0.0011","4201.9","0.5","138","2","138","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H122 Dy2 K N2 O7 -","- C74 H122 Dy2 K N2 O7 -","- C148 H244 Dy4 K2 N4 O14 -","2","1","","William J. Evans; Ming Fang; Gaël Zucchi; Filipp Furche; Joseph W. Ziller; Ryan M. Hoekstra; Jeffrey I. Zink","Isolation of Dysprosium and Yttrium Complexes of a Three-Electron Reduction Product in the Activation of Dinitrogen, the (N2)3- Radical","Journal of the American Chemical Society","2009","131","","11195","11202","10.1021/ja9036753","","","0.71073","MoKα","","0.07","0.0532","","","0.1466","0.1616","","","","","","1.07","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104820","16.4627","0.0009","24.9416","0.0013","19.9471","0.0011","90","","93.684","0.001","90","","8173.5","0.8","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H136 K N6 O8 Si8 Y2 -","- C56 H88 K N6 O8 Si8 Y2 -","- C224 H352 K4 N24 O32 Si32 Y8 -","4","1","","William J. Evans; Ming Fang; Gaël Zucchi; Filipp Furche; Joseph W. Ziller; Ryan M. Hoekstra; Jeffrey I. Zink","Isolation of Dysprosium and Yttrium Complexes of a Three-Electron Reduction Product in the Activation of Dinitrogen, the (N2)3- Radical","Journal of the American Chemical Society","2009","131","","11195","11202","10.1021/ja9036753","","","0.71073","MoKα","","0.0698","0.0567","","","0.1593","0.1706","","","","","","1.031","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104821","12.481","0.003","21.371","0.005","22.304","0.005","90","","105.071","0.003","90","","5745","2","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35.5 H92 K N6 O2 Si8 Y2 -","- C35.5 H88 K N6 O2 Si8 Y2 -","- C142 H352 K4 N24 O8 Si32 Y8 -","4","1","","William J. Evans; Ming Fang; Gaël Zucchi; Filipp Furche; Joseph W. Ziller; Ryan M. Hoekstra; Jeffrey I. Zink","Isolation of Dysprosium and Yttrium Complexes of a Three-Electron Reduction Product in the Activation of Dinitrogen, the (N2)3- Radical","Journal of the American Chemical Society","2009","131","","11195","11202","10.1021/ja9036753","","","0.71073","MoKα","","0.0646","0.0372","","","0.0808","0.091","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104822","49.248","0.01","9.3164","0.0019","26.135","0.005","90","","119.15","0.03","90","","10472","5","178","2","178","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55.63 H67 Ir N P2 Si -","- C55.632 H67 Ir N P2 Si -","- C445.056 H536 Ir8 N8 P16 Si8 -","8","1","","Elisa Calimano; T. Don Tilley","Synthesis and Structure of PNP-Supported Iridium Silyl and Silylene Complexes: Catalytic Hydrosilation of Alkenes","Journal of the American Chemical Society","2009","131","","11161","11173","10.1021/ja903737j","","","0.71073","MoKα","","0.0814","0.0457","","","0.0873","0.097","","","","","","0.971","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104823","9.404","0.002","16.248","0.003","21.85","0.005","90","","94.913","0.004","90","","3326.3","1.2","152","2","152","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H54 Ir N P2 -","- C34 H54 Ir N P2 -","- C136 H216 Ir4 N4 P8 -","4","1","","Elisa Calimano; T. Don Tilley","Synthesis and Structure of PNP-Supported Iridium Silyl and Silylene Complexes: Catalytic Hydrosilation of Alkenes","Journal of the American Chemical Society","2009","131","","11161","11173","10.1021/ja903737j","","","0.71073","MoKα","","0.0898","0.0504","","","0.0971","0.108","","","","","","1.022","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104824","10.3748","0.0017","13.775","0.002","19.886","0.003","79.423","0.003","80.422","0.003","80.345","0.003","2727","0.7","159","2","159","2","","","","","","","","9","P -1","-P 1","2","","","","- C84 H116 B22 Br12 F Ir2 N2 P4 Si2 -","- C84 H116 B22 Br12 F Ir2 N2 P4 Si2 -","- C84 H116 B22 Br12 F Ir2 N2 P4 Si2 -","1","0.5","","Elisa Calimano; T. Don Tilley","Synthesis and Structure of PNP-Supported Iridium Silyl and Silylene Complexes: Catalytic Hydrosilation of Alkenes","Journal of the American Chemical Society","2009","131","","11161","11173","10.1021/ja903737j","","","0.71073","MoKα","","0.08","0.0459","","","0.0947","0.1052","","","","","","0.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104825","11.9761","0.0006","16.7276","0.0008","19.2367","0.0009","70.984","0.001","77.004","0.001","89.949","0.001","3539.1","0.3","135","2","135","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H66 B11 Br6 Ir N P2 Si2 -","- C51 H66 B11 Br6 Ir N P2 Si2 -","- C102 H132 B22 Br12 Ir2 N2 P4 Si4 -","2","1","","Elisa Calimano; T. Don Tilley","Synthesis and Structure of PNP-Supported Iridium Silyl and Silylene Complexes: Catalytic Hydrosilation of Alkenes","Journal of the American Chemical Society","2009","131","","11161","11173","10.1021/ja903737j","","","0.71073","MoKα","","0.0582","0.04","","","0.0847","0.0887","","","","","","0.989","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104826","9.8899","0.0009","10.3026","0.001","10.4367","0.001","106.082","0.002","99.487","0.002","117.495","0.002","851.26","0.14","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H58 Co N4 S2 -","- C30 H58 Co N4 S2 -","- C30 H58 Co N4 S2 -","1","1","","Liang Deng; Eckhard Bill; Karl Wieghardt; R. H. Holm","Cubane-Type Co4S4 Clusters: Synthesis, Redox Series, and Magnetic Ground States","Journal of the American Chemical Society","2009","131","","11213","11221","10.1021/ja903847a","","","0.71073","MoKα","","0.0519","0.0439","","","0.0871","0.0914","","","","","","0.936","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104827","19.057","0.003","12.78","0.0019","39.863","0.006","90","","92.948","0.003","90","","9696","3","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H84 Co4 P4 S4 -","- C36 Co4 P4 S4 -","- C288 Co32 P32 S32 -","8","1","","Liang Deng; Eckhard Bill; Karl Wieghardt; R. H. Holm","Cubane-Type Co4S4 Clusters: Synthesis, Redox Series, and Magnetic Ground States","Journal of the American Chemical Society","2009","131","","11213","11221","10.1021/ja903847a","","","0.71073","MoKα","","0.0919","0.0749","","","0.1981","0.2109","","","","","","1.07","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104828","12.4418","0.0011","12.4418","0.0011","16.575","0.002","90","","90","","90","","2565.8","0.4","193","2","293","2","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C36 H84 B Co4 F4 P4 S4 -","- C36 H84 B Co4 F4 P4 S4 -","- C72 H168 B2 Co8 F8 P8 S8 -","2","0.125","","Liang Deng; Eckhard Bill; Karl Wieghardt; R. H. Holm","Cubane-Type Co4S4 Clusters: Synthesis, Redox Series, and Magnetic Ground States","Journal of the American Chemical Society","2009","131","","11213","11221","10.1021/ja903847a","","","0.71073","MoKα","","0.026","0.0255","","","0.0672","0.0677","","","","","","1.009","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104829","14.321","0.003","20.38","0.005","18.726","0.004","90","","96.093","0.004","90","","5435","2","105","2","105","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H80 Co4 N8 S4 -","- C44 H80 Co4 N8 S4 -","- C176 H320 Co16 N32 S16 -","4","1","","Liang Deng; Eckhard Bill; Karl Wieghardt; R. H. Holm","Cubane-Type Co4S4 Clusters: Synthesis, Redox Series, and Magnetic Ground States","Journal of the American Chemical Society","2009","131","","11213","11221","10.1021/ja903847a","","","0.71073","MoKα","","0.0205","0.02","","","0.0489","0.0492","","","","","","1.027","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104830","9.5068","0.0004","18.5603","0.0007","20.3237","0.0008","85.581","0.002","87.589","0.003","88.381","0.002","3571.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H100 B Co4 N8 S4 -","- C68 H100 B Co4 N8 S4 -","- C136 H200 B2 Co8 N16 S8 -","2","1","","Liang Deng; Eckhard Bill; Karl Wieghardt; R. H. Holm","Cubane-Type Co4S4 Clusters: Synthesis, Redox Series, and Magnetic Ground States","Journal of the American Chemical Society","2009","131","","11213","11221","10.1021/ja903847a","","","0.71073","MoKα","","0.0597","0.0447","","","0.1117","0.1215","","","","","","1.034","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104831","12.3518","0.0006","12.4877","0.0006","13.9495","0.0007","73.96","0.001","84.74","0.001","64.229","0.001","1861.2","0.16","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H126 Co8 P6 S8 -","- C54 H126 Co8 P6 S8 -","- C54 H126 Co8 P6 S8 -","1","0.5","","Liang Deng; Eckhard Bill; Karl Wieghardt; R. H. Holm","Cubane-Type Co4S4 Clusters: Synthesis, Redox Series, and Magnetic Ground States","Journal of the American Chemical Society","2009","131","","11213","11221","10.1021/ja903847a","","","0.71073","MoKα","","0.0393","0.0344","","","0.0893","0.094","","","","","","1.027","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104832","13.5596","0.0007","20.8973","0.001","41.467","0.002","86.085","0.001","81.22","0.001","88.473","0.001","11583.7","1","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H126 B Co8 F4 P6 S8 -","- C54 H98 B Co8 F4 P6 S8 -","- C324 H588 B6 Co48 F24 P36 S48 -","6","3","","Liang Deng; Eckhard Bill; Karl Wieghardt; R. H. Holm","Cubane-Type Co4S4 Clusters: Synthesis, Redox Series, and Magnetic Ground States","Journal of the American Chemical Society","2009","131","","11213","11221","10.1021/ja903847a","","","0.71073","MoKα","","0.0785","0.0538","","","0.143","0.1589","","","","","","1.047","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104833","7.6286","0.0007","11.181","0.0012","12.0135","0.0013","107.145","0.005","95.759","0.005","105.904","0.004","923.21","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","SW-V-172b","sarpong09","","- C22 H24 N2 O2 S -","- C22 H24 N2 O2 S -","- C44 H48 N4 O4 S2 -","2","1","","Scott P. West; Alakesh Bisai; Andrew D. Lim; Raja R. Narayan; Richmond Sarpong","Total Synthesis of (+)-Lyconadin A and Related Compounds via Oxidative C-N Bond Formation","Journal of the American Chemical Society","2009","131","","11187","11194","10.1021/ja903868n","","","1.54178","CuKα","","0.0386","0.0381","","","0.1016","0.1021","","","","","","1.034","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4104834","5.1506","0.0005","30.99","0.003","10.7824","0.0011","90","","90.789","0.007","90","","1720.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","SW-V-122d","sarpong05","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C76 H108 N4 O16 -","4","2","","Scott P. West; Alakesh Bisai; Andrew D. Lim; Raja R. Narayan; Richmond Sarpong","Total Synthesis of (+)-Lyconadin A and Related Compounds via Oxidative C-N Bond Formation","Journal of the American Chemical Society","2009","131","","11187","11194","10.1021/ja903868n","","","1.54178","CuKα","","0.049","0.0414","","","0.0969","0.1007","","","","","","1.04","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4104835","7.3398","0.0007","8.3066","0.0008","13.8028","0.0013","84.584","0.002","75.864","0.002","68.311","0.002","758.28","0.13","139","2","139","2","","","","","","","","5","P -1","-P 1","2","SW-V-89","sarpong04","","- C16 H21 Cl N2 O -","- C16 H21 Cl N2 O -","- C32 H42 Cl2 N4 O2 -","2","1","","Scott P. West; Alakesh Bisai; Andrew D. Lim; Raja R. Narayan; Richmond Sarpong","Total Synthesis of (+)-Lyconadin A and Related Compounds via Oxidative C-N Bond Formation","Journal of the American Chemical Society","2009","131","","11187","11194","10.1021/ja903868n","","","0.71073","MoKα","","0.0581","0.0444","","","0.1087","0.1193","","","","","","1.028","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4104836","11.129","0.001","14.816","0.002","13.034","0.001","90","","107.184","0.002","90","","2053.2","0.4","176.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N2 O3 -","- C22 H32 N2 O3 -","- C88 H128 N8 O12 -","4","1","","Scott P. West; Alakesh Bisai; Andrew D. Lim; Raja R. Narayan; Richmond Sarpong","Total Synthesis of (+)-Lyconadin A and Related Compounds via Oxidative C-N Bond Formation","Journal of the American Chemical Society","2009","131","","11187","11194","10.1021/ja903868n","","","0.7107","MoKα","","0.0609","0.0403","","0.053","","0.0494","","","","","","1.818","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104837","10.5537","0.0008","10.9345","0.0007","11.9132","0.0008","69.127","0.001","83.691","0.001","77.491","0.001","1253.25","0.15","165.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H32 N2 O7 -","- C27 H32 N2 O7 -","- C54 H64 N4 O14 -","2","1","","Scott P. West; Alakesh Bisai; Andrew D. Lim; Raja R. Narayan; Richmond Sarpong","Total Synthesis of (+)-Lyconadin A and Related Compounds via Oxidative C-N Bond Formation","Journal of the American Chemical Society","2009","131","","11187","11194","10.1021/ja903868n","","","0.7107","MoKα","","0.0546","0.0386","","0.0593","","0.0546","","","","","","1.734","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104838","5.4233","0.0011","10.61","0.002","11.629","0.002","90","","90","","90","","669.1","0.2","200","2","200","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Eu2 N3 Si -","- Eu2 N3 Si -","- Eu16 N24 Si8 -","8","","","Martin Zeuner; Sandro Pagano; Philipp Matthes; Daniel Bichler; Dirk Johrendt; Thomas Harmening; Rainer Pöttgen; Wolfgang Schnick","Mixed Valence Europium Nitridosilicate Eu2SiN3","Journal of the American Chemical Society","2009","131","","11242","11248","10.1021/ja9040237","","","0.71073","MoKα","","0.0167","0.0159","","","0.0318","0.032","","","","","","1.182","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104839","14.707","0.0002","14.707","0.0002","10.8676","0.0003","90","","90","","120","","2035.69","0.07","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C36 H84 Cu8 F12 O12 P8 Se12 -","- C36 H84 Cu8 F12 O12 P8 Se12 -","- C36 H84 Cu8 F12 O12 P8 Se12 -","1","0.166667","","C. W. Liu; Bijay Sarkar; Yao-Jheng Huang; Ping-Kuei Liao; Ju-Chun Wang; Jean-Yves Saillard; Samia Kahlal","Octanuclear Copper(I) Clusters Inscribed in a Se12 Icosahedron: Anion-Induced Modulation of the Core Size and Symmetry","Journal of the American Chemical Society","2009","131","","11222","11233","10.1021/ja904089t","","","0.71073","MoKα","","0.0723","0.041","","","0.1062","0.119","","","","","","1.017","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104840","24.2417","0.0008","13.1352","0.0005","24.8846","0.0007","90","","91.783","0.001","90","","7919.9","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H84 Cu8 F7 O12 P7 Se12 -","- C36 H84 Cu8 F7 O12 P7 Se12 -","- C144 H336 Cu32 F28 O48 P28 Se48 -","4","0.5","","C. W. Liu; Bijay Sarkar; Yao-Jheng Huang; Ping-Kuei Liao; Ju-Chun Wang; Jean-Yves Saillard; Samia Kahlal","Octanuclear Copper(I) Clusters Inscribed in a Se12 Icosahedron: Anion-Induced Modulation of the Core Size and Symmetry","Journal of the American Chemical Society","2009","131","","11222","11233","10.1021/ja904089t","","","0.71073","MoKα","","0.1488","0.0535","","","0.1204","0.1495","","","","","","0.859","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104841","17.7369","0.0008","17.7369","0.0008","72.654","0.003","90","","90","","120","","19794.5","1.5","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C27 H63 Cu8 F7 O12 P7 Se12 -","- C27 H63 Cu8 F7 O12 P7 Se12 -","- C324 H756 Cu96 F84 O144 P84 Se144 -","12","0.333333","","C. W. Liu; Bijay Sarkar; Yao-Jheng Huang; Ping-Kuei Liao; Ju-Chun Wang; Jean-Yves Saillard; Samia Kahlal","Octanuclear Copper(I) Clusters Inscribed in a Se12 Icosahedron: Anion-Induced Modulation of the Core Size and Symmetry","Journal of the American Chemical Society","2009","131","","11222","11233","10.1021/ja904089t","","","0.71073","MoKα","","0.0772","0.0484","","","0.1568","0.1812","","","","","","1.131","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104842","24.254","0.003","13.0874","0.0014","24.861","0.004","90","","91.879","0.005","90","","7887.2","1.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H85 Cu8 F6 O12 P7 Se12 -","- C36 H83 Cu8 F6 O12 P7 Se12 -","- C144 H332 Cu32 F24 O48 P28 Se48 -","4","0.5","","C. W. Liu; Bijay Sarkar; Yao-Jheng Huang; Ping-Kuei Liao; Ju-Chun Wang; Jean-Yves Saillard; Samia Kahlal","Octanuclear Copper(I) Clusters Inscribed in a Se12 Icosahedron: Anion-Induced Modulation of the Core Size and Symmetry","Journal of the American Chemical Society","2009","131","","11222","11233","10.1021/ja904089t","","","0.71073","MoKα","","0.0917","0.0518","","","0.1309","0.1441","","","","","","1.053","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104843","17.6955","0.0003","17.6955","0.0003","71.878","0.003","90","","90","","120","","19491.8","0.9","298","2","298","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C24 H61 Cu8 F6 O12 P7 Se12 -","- C24 H61 Cu8 F6 O12 P7 Se12 -","- C288 H732 Cu96 F72 O144 P84 Se144 -","12","0.333333","","C. W. Liu; Bijay Sarkar; Yao-Jheng Huang; Ping-Kuei Liao; Ju-Chun Wang; Jean-Yves Saillard; Samia Kahlal","Octanuclear Copper(I) Clusters Inscribed in a Se12 Icosahedron: Anion-Induced Modulation of the Core Size and Symmetry","Journal of the American Chemical Society","2009","131","","11222","11233","10.1021/ja904089t","","","0.71073","MoKα","","0.0685","0.0518","","","0.1505","0.162","","","","","","1.091","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104844","22.448","0.0003","22.448","0.0003","12.6834","0.0003","90","","90","","120","","5535.05","0.17","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H84 Cu8 O12 P6 S Se12 -","- C36 H84 Cu8 O12 P6 S Se12 -","- C108 H252 Cu24 O36 P18 S3 Se36 -","3","0.166667","","C. W. Liu; Bijay Sarkar; Yao-Jheng Huang; Ping-Kuei Liao; Ju-Chun Wang; Jean-Yves Saillard; Samia Kahlal","Octanuclear Copper(I) Clusters Inscribed in a Se12 Icosahedron: Anion-Induced Modulation of the Core Size and Symmetry","Journal of the American Chemical Society","2009","131","","11222","11233","10.1021/ja904089t","","","0.71073","MoKα","","0.0679","0.0368","","","0.0915","0.1053","","","","","","1.017","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104845","9.66","0.003","17.181","0.005","18.96","0.006","90","","90","","90","","3146.8","1.7","203","2","203","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H45 B N2 O2 S2 -","- C30 H41 B N2 O2 S2 -","- C120 H164 B4 N8 O8 S8 -","4","0.5","","Shau-Hua Ueng; Andrey Solovyev; Xinting Yuan; Steven J. Geib; Louis Fensterbank; Emmanuel Lacôte; Max Malacria; Martin Newcomb; John C. Walton; Dennis P. Curran","N-Heterocyclic Carbene Boryl Radicals: A New Class of Boron-Centered Radical","Journal of the American Chemical Society","2009","131","","11256","11262","10.1021/ja904103x","","","0.71073","MoKα","","0.1165","0.0911","","","0.2269","0.2337","","","","","","1.754","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104846","14.1188","0.0019","14.337","0.002","20.757","0.002","90","","90.754","0.009","90","","4201.3","0.9","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H57 B N2 O2 S2 -","- C41 H57 B N2 O2 S2 -","- C164 H228 B4 N8 O8 S8 -","4","1","","Shau-Hua Ueng; Andrey Solovyev; Xinting Yuan; Steven J. Geib; Louis Fensterbank; Emmanuel Lacôte; Max Malacria; Martin Newcomb; John C. Walton; Dennis P. Curran","N-Heterocyclic Carbene Boryl Radicals: A New Class of Boron-Centered Radical","Journal of the American Chemical Society","2009","131","","11256","11262","10.1021/ja904103x","","","0.71073","MoKα","","0.1788","0.0702","","","0.1694","0.2268","","","","","","1.019","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104847","9.0868","0.0003","12.6753","0.0005","17.8359","0.0007","82.848","0.001","78.796","0.001","80.426","0.001","1978.04","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","TAP(Dipp)Au(3-hexyne)","","","- C38 H44 Au F14 N3 -","- C38 H44 Au F14 N3 -","- C76 H88 Au2 F28 N6 -","2","1","","H. V. Rasika Dias; Jaime A. Flores; Jiang Wu; Peter Kroll","Monomeric Copper(I), Silver(I), and Gold(I) Alkyne Complexes and the Coinage Metal Family Group Trends","Journal of the American Chemical Society","2009","131","","11249","11255","10.1021/ja904232v","","","0.71073","MoKα","","0.0323","0.032","","","0.0864","0.0866","","","","","","1.17","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104848","9.1036","0.0003","12.5604","0.0005","17.6485","0.0006","81.606","0.001","79.605","0.001","80.286","0.001","1942.49","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","TAP(Dipp)Cu(3-hexyne)","","","- C38 H44 Cu F14 N3 -","- C38 H44 Cu F14 N3 -","- C76 H88 Cu2 F28 N6 -","2","1","","H. V. Rasika Dias; Jaime A. Flores; Jiang Wu; Peter Kroll","Monomeric Copper(I), Silver(I), and Gold(I) Alkyne Complexes and the Coinage Metal Family Group Trends","Journal of the American Chemical Society","2009","131","","11249","11255","10.1021/ja904232v","","","0.71073","MoKα","","0.0414","0.0379","","","0.0997","0.1025","","","","","","1.082","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104849","9.1356","0.0006","12.7961","0.0009","17.7376","0.0012","82.756","0.001","78.647","0.001","80.038","0.001","1993.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","TAP(Dipp)Ag(3-hexyne)","","","- C38 H44 Ag F14 N3 -","- C38 H44 Ag F14 N3 -","- C76 H88 Ag2 F28 N6 -","2","1","","H. V. Rasika Dias; Jaime A. Flores; Jiang Wu; Peter Kroll","Monomeric Copper(I), Silver(I), and Gold(I) Alkyne Complexes and the Coinage Metal Family Group Trends","Journal of the American Chemical Society","2009","131","","11249","11255","10.1021/ja904232v","","","0.71073","MoKα","","0.0355","0.0333","","","0.0852","0.0869","","","","","","1.054","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104850","5.6745","0.0003","13.5498","0.0006","17.9944","0.0008","90","","90","","90","","1383.56","0.11","296","2","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 Br N2 O3 S -","- C12 H15 Br N2 O3 S -","- C48 H60 Br4 N8 O12 S4 -","4","1","","Daniel A. DiRocco; Kevin M. Oberg; Derek M. Dalton; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Heterocyclic Aldehydes with Nitroalkenes: Backbone Fluorination Improves Selectivity","Journal of the American Chemical Society","2009","131","","10872","10874","10.1021/ja904375q","","","0.71073","MoKα","","0.0455","0.0317","","","0.0543","0.0577","","","","","","0.876","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104851","9.9726","0.0003","7.6892","0.0002","11.052","0.0004","90","","102.604","0.002","90","","827.06","0.04","296","2","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 B F10 N3 -","- C14 H12 B F10 N3 -","- C28 H24 B2 F20 N6 -","2","1","","Daniel A. DiRocco; Kevin M. Oberg; Derek M. Dalton; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Heterocyclic Aldehydes with Nitroalkenes: Backbone Fluorination Improves Selectivity","Journal of the American Chemical Society","2009","131","","10872","10874","10.1021/ja904375q","","","0.71073","MoKα","","0.0543","0.0388","","","0.0899","0.1026","","","","","","1.018","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104852","9.9082","0.0003","7.7653","0.0003","11.0984","0.0004","90","","106.157","0.002","90","","820.19","0.05","296","2","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 B F10 N3 -","- C14 H12 B F10 N3 -","- C28 H24 B2 F20 N6 -","2","1","","Daniel A. DiRocco; Kevin M. Oberg; Derek M. Dalton; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Heterocyclic Aldehydes with Nitroalkenes: Backbone Fluorination Improves Selectivity","Journal of the American Chemical Society","2009","131","","10872","10874","10.1021/ja904375q","","","0.71073","MoKα","","0.0753","0.0518","","","0.1283","0.1502","","","","","","1.044","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104853","9.9143","0.0003","7.5803","0.0002","11.2293","0.0003","90","","107.608","0.001","90","","804.38","0.04","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 B F9 N3 -","- C14 H13 B F9 N3 -","- C28 H26 B2 F18 N6 -","2","1","","Daniel A. DiRocco; Kevin M. Oberg; Derek M. Dalton; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Heterocyclic Aldehydes with Nitroalkenes: Backbone Fluorination Improves Selectivity","Journal of the American Chemical Society","2009","131","","10872","10874","10.1021/ja904375q","","","0.71073","MoKα","","0.0863","0.0464","","","0.0778","0.0906","","","","","","1.013","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104854","10.8932","0.0008","7.6975","0.0005","16.135","0.0014","90","","98.254","0.004","90","","1338.91","0.18","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H6 B F10 N3 -","- C11 H6 B F10 N3 -","- C44 H24 B4 F40 N12 -","4","2","","Daniel A. DiRocco; Kevin M. Oberg; Derek M. Dalton; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Heterocyclic Aldehydes with Nitroalkenes: Backbone Fluorination Improves Selectivity","Journal of the American Chemical Society","2009","131","","10872","10874","10.1021/ja904375q","","","0.71073","MoKα","","0.081","0.0468","","","0.1013","0.123","","","","","","0.998","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104855","13.748","0.004","9.038","0.003","18.722","0.006","90","","94.1207","0.0013","90","","2320.3","1.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 Cl N2 Sn -","- C26 H27 Cl N2 Sn -","- C104 H108 Cl4 N8 Sn4 -","4","1","","Junji Kobayashi; Tomokatsu Kushida; Takayuki Kawashima","Synthesis and Reversible Control of the Fluorescent Properties of a Divalent Tin Dipyrromethene","Journal of the American Chemical Society","2009","131","","10836","10837","10.1021/ja904470m","","","0.7107","MoKα","","0.0218","0.02","","","0.0541","0.0551","","","","","","1.075","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104856","11.3006","0.0005","14.5461","0.0001","16.9925","0.0001","67.311","0.009","80.428","0.011","81.174","0.011","2528.9","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H50 F6 N4 O6 S2 Sn2 -","- C49 H50 F6 N4 O6 S2 Sn2 -","- C98 H100 F12 N8 O12 S4 Sn4 -","2","1","","Junji Kobayashi; Tomokatsu Kushida; Takayuki Kawashima","Synthesis and Reversible Control of the Fluorescent Properties of a Divalent Tin Dipyrromethene","Journal of the American Chemical Society","2009","131","","10836","10837","10.1021/ja904470m","","","0.7107","MoKα","","0.0412","0.0369","","","0.0991","0.1027","","","","","","1.042","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104857","10.2743","0.0002","33.9203","0.0007","13.2436","0.0003","90","","96.521","0.002","90","","4585.63","0.17","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C47 H64 Br2 Mo N2 O2 Si -","- C47 H64 Br2 Mo N2 O2 Si -","- C188 H256 Br8 Mo4 N8 O8 Si4 -","4","2","","Smaranda C. Marinescu; Richard R. Schrock; Peter Müller; Amir H. Hoveyda","Ethenolysis Reactions Catalyzed by Imido Alkylidene Monoaryloxide Monopyrrolide (MAP) Complexes of Molybdenum","Journal of the American Chemical Society","2009","131","","10840","10841","10.1021/ja904786y","","","1.54178","CuKα","","0.0541","0.0455","","","0.1062","0.111","","","","","","1.02","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104858","6.6601","0.0014","11.827","0.003","9.66","0.002","90","","97.035","0.003","90","","755.2","0.3","125","2","125","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O4 -","- C17 H26 O4 -","- C34 H52 O8 -","2","1","","Zhang Wang; Sun-Joon Min; Samuel J. Danishefsky","Total Synthesis and Structural Revision of (\±)-Tricholomalides A and B","Journal of the American Chemical Society","2009","131","","10848","10849","10.1021/ja9049433","","","0.71073","MoKα","","0.0432","0.0351","","","0.0868","0.0906","","","","","","1.054","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104859","6.2233","0.0005","16.3511","0.0013","17.7582","0.0014","99.257","0.001","93.699","0.001","96.031","0.001","1767.5","0.2","125","2","125","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","2","","Zhang Wang; Sun-Joon Min; Samuel J. Danishefsky","Total Synthesis and Structural Revision of (\±)-Tricholomalides A and B","Journal of the American Chemical Society","2009","131","","10848","10849","10.1021/ja9049433","","","0.71073","MoKα","","0.171","0.0686","","","0.1455","0.1856","","","","","","0.946","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104860","6.4098","0.001","13.194","0.002","21.041","0.003","90","","92.226","0.003","90","","1778.1","0.5","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Zhang Wang; Sun-Joon Min; Samuel J. Danishefsky","Total Synthesis and Structural Revision of (\±)-Tricholomalides A and B","Journal of the American Chemical Society","2009","131","","10848","10849","10.1021/ja9049433","","","0.71073","MoKα","","0.1485","0.047","","","0.0686","0.084","","","","","","0.835","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104861","33.206","0.003","6.6255","0.0006","19.8029","0.0019","90","","124.831","0.001","90","","3576.2","0.6","125","2","125","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C160 H224 O40 -","8","1","","Zhang Wang; Sun-Joon Min; Samuel J. Danishefsky","Total Synthesis and Structural Revision of (\±)-Tricholomalides A and B","Journal of the American Chemical Society","2009","131","","10848","10849","10.1021/ja9049433","","","0.71073","MoKα","","0.1364","0.0528","","","0.0939","0.117","","","","","","1.067","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104862","6.2107","0.0012","16.315","0.003","17.969","0.004","99.637","0.003","93.661","0.003","96.032","0.003","1779","0.6","125","2","125","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","2","","Zhang Wang; Sun-Joon Min; Samuel J. Danishefsky","Total Synthesis and Structural Revision of (\±)-Tricholomalides A and B","Journal of the American Chemical Society","2009","131","","10848","10849","10.1021/ja9049433","","","0.71073","MoKα","","0.1737","0.0867","","","0.2247","0.2755","","","","","","1.062","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104863","7.8612","0.0017","11.015","0.002","16.196","0.004","90","","90","","90","","1402.4","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(dimethylamino)[3,2-c:2?,3?-e] dithieno-1,2-dihydro-1,2-Diborin","","- C12 H16 B2 N2 S2 -","- C12 H16 B2 N2 S2 -","- C48 H64 B8 N8 S8 -","4","1","","Atsushi Wakamiya; Kenji Mori; Takafumi Araki; Shigehiro Yamaguchi","A B-B Bond-Containing Polycyclic π-Electron System: Dithieno-1,2-dihydro-1,2-diborin and Its Dianion","Journal of the American Chemical Society","2009","131","","10850","10851","10.1021/ja905007s","","","0.7107","MoKa","","0.045","0.0368","","","0.073","0.0759","","","","","","0.964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104864","13.835","0.004","24.235","0.007","38.188","0.011","90","","99.229","0.004","90","","12638","6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[potassium[2.2.2]cryptand]salt of 1,2-bis(dimethylamino)[3,2-c:2',3'-e] dithieno-1,2-dihydro-1,2-diborin","","- C54 H96 B2 K2 N6 O13.5 S2 -","- C54 H96 B2 K2 N6 O13.5 S2 -","- C432 H768 B16 K16 N48 O108 S16 -","8","1","","Atsushi Wakamiya; Kenji Mori; Takafumi Araki; Shigehiro Yamaguchi","A B-B Bond-Containing Polycyclic π-Electron System: Dithieno-1,2-dihydro-1,2-diborin and Its Dianion","Journal of the American Chemical Society","2009","131","","10850","10851","10.1021/ja905007s","","","0.7107","MoKa","","0.0871","0.074","","","0.183","0.1945","","","","","","1.115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104865","29.375","0.0019","15.1467","0.0013","7.5187","0.0007","90","","91.578","0.007","90","","3344.1","0.5","568","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","eric01","eric01","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C152 H136 N24 O8 -","8","1","","Antonio Barbon; Eric D. Bott; Marina Brustolon; Marianna Fabris; Bart Kahr; Werner Kaminsky; Philip J. Reid; Susanna M. Wong; Kristin L. Wustholz; Roberto Zanré","Triplet States of the Nonlinear Optical Chromophore DCM in Single Crystals of Potassium Hydrogen Phthalate and Their Relationship to Single-Molecule Dark States","Journal of the American Chemical Society","2009","131","","11548","11557","10.1021/ja903284y","","","0.71073","MoKα","","0.2459","0.0774","","","0.1326","0.1834","","","","","","0.978","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104866","9.6071","0.0011","9.8809","0.0012","10.5968","0.0013","113.932","0.002","96.489","0.002","98.884","0.002","891.06","0.19","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 F4 Li2 O4 -","- C38 H42 F4 Li2 O4 -","- C38 H42 F4 Li2 O4 -","1","0.5","","Kristopher J. Kolonko; Margaret M. Biddle; Ilia A. Guzei; Hans J. Reich","Solution Structures of Lithium Enolates of Cyclopentanone, Cyclohexanone, Acetophenones, and Benzyl Ketones. Triple Ions and Higher Lithiate Complexes","Journal of the American Chemical Society","2009","131","","11525","11534","10.1021/ja903479p","","","0.71073","Mo-Kα","","0.0669","0.0575","","","0.1545","0.1606","","","","","","0.988","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4104867","17.9816","0.0013","14.5976","0.0011","18.1807","0.0013","90","","104.052","0.001","90","","4629.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Li N3 O -","- C24 H36 Li N3 O -","- C192 H288 Li8 N24 O8 -","8","2","","Kristopher J. Kolonko; Margaret M. Biddle; Ilia A. Guzei; Hans J. Reich","Solution Structures of Lithium Enolates of Cyclopentanone, Cyclohexanone, Acetophenones, and Benzyl Ketones. Triple Ions and Higher Lithiate Complexes","Journal of the American Chemical Society","2009","131","","11525","11534","10.1021/ja903479p","","","0.71073","Cu-Kα","","0.0625","0.0411","","","0.0963","0.1111","","","","","","0.998","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4104868","6.5841","0.00012","11.814","0.0002","18.4736","0.0003","90","","90","","90","","1436.96","0.04","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N3 O3 S -","- C13 H19 N3 O3 S -","- C52 H76 N12 O12 S4 -","4","1","","Takuya Hashimoto; Hisashi Miyamoto; Yuki Naganawa; Keiji Maruoka","Stereoselective Synthesis of α-Alkyl-β-keto Imides via Asymmetric Redox C-C Bond Formation between α-Alkyl-α-diazocarbonyl Compounds and Aldehydes","Journal of the American Chemical Society","2009","131","","11280","11281","10.1021/ja903500w","","","1.54187","CuKα","","","0.0308","","","","0.0813","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104869","7.8202","0.0002","10.7146","0.0003","23.3533","0.0006","90","","91.2291","0.0016","90","","1956.33","0.09","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 N O4 S -","- C21 H27 N O4 S -","- C84 H108 N4 O16 S4 -","4","2","","Takuya Hashimoto; Hisashi Miyamoto; Yuki Naganawa; Keiji Maruoka","Stereoselective Synthesis of α-Alkyl-β-keto Imides via Asymmetric Redox C-C Bond Formation between α-Alkyl-α-diazocarbonyl Compounds and Aldehydes","Journal of the American Chemical Society","2009","131","","11280","11281","10.1021/ja903500w","","","1.54187","CuKα","","","0.0462","","","","0.1081","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104870","11.581","0.0002","15.0562","0.0003","24.723","0.0005","90","","90","","90","","4310.85","0.14","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H35 N O4 S -","- C21 H35 N O4 S -","- C168 H280 N8 O32 S8 -","8","2","","Takuya Hashimoto; Hisashi Miyamoto; Yuki Naganawa; Keiji Maruoka","Stereoselective Synthesis of α-Alkyl-β-keto Imides via Asymmetric Redox C-C Bond Formation between α-Alkyl-α-diazocarbonyl Compounds and Aldehydes","Journal of the American Chemical Society","2009","131","","11280","11281","10.1021/ja903500w","","","1.54187","CuKα","","","0.038","","","","0.0956","","","","","","1.159","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104871","24.9897","0.0006","15.0876","0.0004","39.2517","0.001","90","","94.208","0.001","90","","14759.4","0.6","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Gd3N@C8.NiOEP.1.5benzene","","","- C123 H53 Gd3 N5 Ni -","- C122.922 H53 Gd2.99 N5 Ni -","- C983.376 H424 Gd23.92 N40 Ni8 -","8","1","","Christine M. Beavers; Manuel N. Chaur; Marilyn M. Olmstead; Luis Echegoyen; Alan L. Balch","Large Metal Ions in a Relatively Small Fullerene Cage: The Structure of Gd3N@C2(22010)-C78 Departs from the Isolated Pentagon Rule","Journal of the American Chemical Society","2009","131","","11519","11524","10.1021/ja903741r","","","0.7749","synchrotron","","0.1203","0.096","","","0.2762","0.3026","","","","","","1.017","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104872","14.0138","0.0004","14.0734","0.0002","25.1493","0.0005","98.207","0.001","105.1","0.001","91.949","0.001","4726.52","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C79.5 H93 F24 N12.5 O8 P4 S4 -","- C79.5 H93 F24 N12.5 O8 P4 S4 -","- C159 H186 F48 N25 O16 P8 S8 -","2","1","","Jason M. Spruell; Walter F. Paxton; John-Carl Olsen; Diego Benítez; Ekaterina Tkatchouk; Charlotte L. Stern; Ali Trabolsi; Douglas C. Friedman; William A. Goddard; J. Fraser Stoddart","A Push-Button Molecular Switch","Journal of the American Chemical Society","2009","131","","11571","11580","10.1021/ja904104c","","","1.54178","CuKα","","0.1078","0.0979","","","0.2589","0.2687","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104873","4.8806","0.0004","18.8242","0.0014","11.1298","0.0008","90","","99.26","0.005","90","","1009.21","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","firefly oxylcuiferin","","","- C10 H6 N2 O2 S2 -","- C10 H6 N2 O2 S2 -","- C40 H24 N8 O8 S8 -","4","1","","Panče Naumov; Yutaka Ozawa; Kei Ohkubo; Shunichi Fukuzumi","Structure and Spectroscopy of Oxyluciferin, the Light Emitter of the Firefly Bioluminescence","Journal of the American Chemical Society","2009","131","","11590","11605","10.1021/ja904309q","","","0.71073","MoKα","","0.0913","0.0524","","","0.1239","0.1412","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104874","6.3027","0.0004","14.8046","0.001","11.6515","0.0007","90","","91.419","0.004","90","","1086.86","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5-methyloxyluciferin","","","- C11 H8 N2 O2 S2 -","- C11 H8 N2 O2 S2 -","- C44 H32 N8 O8 S8 -","4","1","","Panče Naumov; Yutaka Ozawa; Kei Ohkubo; Shunichi Fukuzumi","Structure and Spectroscopy of Oxyluciferin, the Light Emitter of the Firefly Bioluminescence","Journal of the American Chemical Society","2009","131","","11590","11605","10.1021/ja904309q","","","0.71073","MoKα","","0.0546","0.0337","","","0.0875","0.0984","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104875","14.1478","0.0012","21.5812","0.0019","10.934","0.001","90","","90","","90","","3338.4","0.5","193","2","193","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C36 H40 N2 O4 S Zn -","- C36 H40 N2 O4 S Zn -","- C144 H160 N8 O16 S4 Zn4 -","4","1","","Yunmi Lee; Bo Li; Amir H. Hoveyda","Stereogenic-at-Metal Zn- and Al-Based N-Heterocyclic Carbene (NHC) Complexes as Bifunctional Catalysts in Cu-Free Enantioselective Allylic Alkylations","Journal of the American Chemical Society","2009","131","","11625","11633","10.1021/ja904654j","","","0.71073","MoKα","","0.0952","0.0584","","","0.0996","0.1118","","","","","","1.001","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104876","9.4495","0.0007","15.3667","0.0011","20.6704","0.0015","90","","90","","90","","3001.5","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 Al N2 O3 S -","- C32 H33 Al N2 O3 S -","- C128 H132 Al4 N8 O12 S4 -","4","1","","Yunmi Lee; Bo Li; Amir H. Hoveyda","Stereogenic-at-Metal Zn- and Al-Based N-Heterocyclic Carbene (NHC) Complexes as Bifunctional Catalysts in Cu-Free Enantioselective Allylic Alkylations","Journal of the American Chemical Society","2009","131","","11625","11633","10.1021/ja904654j","","","0.71073","MoKα","","0.071","0.0481","","","0.1027","0.1139","","","","","","1.027","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104877","12.423","0.003","12.716","0.002","12.478","0.002","90","","114.238","0.019","90","","1797.4","0.7","110","","110","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C44 H20 F8 Fe N5 O3 -","- C44 H20 F8 Fe N5 O3 -","- C88 H40 F16 Fe2 N10 O6 -","2","1","","Mark P. Schopfer; Biplab Mondal; Dong-Heon Lee; Amy A. N. Sarjeant; Kenneth D. Karlin","Heme/O2/.NO Nitric Oxide Dioxygenase (NOD) Reactivity: Phenolic Nitration via a Putative Heme-Peroxynitrite Intermediate","Journal of the American Chemical Society","2009","131","","11304","11305","10.1021/ja904832j","","","0.71073","MoKα","","0.0614","0.0473","","","0.1264","0.1331","","","","","","1.064","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104878","8.182","0.004","15.809","0.009","8.773","0.005","90","","94.5764","0.0018","90","","1131.2","1.1","103","2","103","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H10 Cl N -","- C15 H10 Cl N -","- C60 H40 Cl4 N4 -","4","1","","Fumitoshi Kakiuchi; Takuya Kochi; Hitoshi Mutsutani; Noboru Kobayashi; Seiya Urano; Mitsuo Sato; Shigeru Nishiyama; Takamasa Tanabe","Palladium-Catalyzed Aromatic C-H Halogenation with Hydrogen Halides by Means of Electrochemical Oxidation","Journal of the American Chemical Society","2009","131","","11310","11311","10.1021/ja9049228","","","0.7107","MoKα","","0.034","0.0307","","","0.084","0.0865","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104879","8.1561","0.0011","11.9398","0.0009","11.813","0.001","90","","101.498","0.0013","90","","1127.3","0.2","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C56 H36 Cl4 N8 -","4","1","","Fumitoshi Kakiuchi; Takuya Kochi; Hitoshi Mutsutani; Noboru Kobayashi; Seiya Urano; Mitsuo Sato; Shigeru Nishiyama; Takamasa Tanabe","Palladium-Catalyzed Aromatic C-H Halogenation with Hydrogen Halides by Means of Electrochemical Oxidation","Journal of the American Chemical Society","2009","131","","11310","11311","10.1021/ja9049228","","","0.7107","MoKα","","0.0334","0.029","","","0.0768","0.0798","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104880","9.6015","0.0016","12.896","0.002","16.782","0.003","90","","92.29","0.003","90","","2076.3","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C92 H116 N4 O8 -","4","1","","Anoklase Jean-Luc Ayitou; Josepha L. Jesuraj; Nilotpal Barooah; Angel Ugrinov; J. Sivaguru","Enantiospecific Photochemical Norrish/Yang Type II Reaction of Nonbiaryl Atropchiral α-Oxoamides in Solution-Axial to Point Chirality Transfer","Journal of the American Chemical Society","2009","131","","11314","11315","10.1021/ja9050586","","","0.71073","MoKα","","0.0786","0.0551","","","0.1636","0.1817","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104881","9.857","0.01","15.906","0.016","10.917","0.011","90","","104.238","0.019","90","","1659","3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Anoklase Jean-Luc Ayitou; Josepha L. Jesuraj; Nilotpal Barooah; Angel Ugrinov; J. Sivaguru","Enantiospecific Photochemical Norrish/Yang Type II Reaction of Nonbiaryl Atropchiral α-Oxoamides in Solution-Axial to Point Chirality Transfer","Journal of the American Chemical Society","2009","131","","11314","11315","10.1021/ja9050586","","","0.71073","MoKα","","0.0979","0.069","","","0.1913","0.2252","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104882","8.747","0.005","21.195","0.013","9.869","0.006","90","","114.92","0.012","90","","1659.3","1.7","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Anoklase Jean-Luc Ayitou; Josepha L. Jesuraj; Nilotpal Barooah; Angel Ugrinov; J. Sivaguru","Enantiospecific Photochemical Norrish/Yang Type II Reaction of Nonbiaryl Atropchiral α-Oxoamides in Solution-Axial to Point Chirality Transfer","Journal of the American Chemical Society","2009","131","","11314","11315","10.1021/ja9050586","","","0.71073","MoKα","","0.1079","0.068","","","0.2137","0.2481","","","","","","1.07","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104883","23.583","0.007","23.72","0.007","21.193","0.006","90","","108.667","0.004","90","","11231","6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PdCl2(CNArDipp2)2","","","- C62 H74 Cl2 N2 Pd -","- C62 H74 Cl2 N2 Pd -","- C496 H592 Cl16 N16 Pd8 -","8","2","","Liezel A. Labios; Matthew D. Millard; Arnold L. Rheingold; Joshua S. Figueroa","Bond Activation, Substrate Addition and Catalysis by an Isolable Two-Coordinate Pd(0) Bis-Isocyanide Monomer","Journal of the American Chemical Society","2009","131","","11318","11319","10.1021/ja905338x","","","0.71073","MoKα","","0.0688","0.044","","","0.1087","0.1249","","","","","","1.029","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104884","16.388","0.004","16.778","0.004","21.88","0.006","90","","96.164","0.012","90","","5981","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pd(CNArDipp2)2","","","- C66 H82 N2 O Pd -","- C66 H82 N2 O Pd -","- C264 H328 N8 O4 Pd4 -","4","1","","Liezel A. Labios; Matthew D. Millard; Arnold L. Rheingold; Joshua S. Figueroa","Bond Activation, Substrate Addition and Catalysis by an Isolable Two-Coordinate Pd(0) Bis-Isocyanide Monomer","Journal of the American Chemical Society","2009","131","","11318","11319","10.1021/ja905338x","","","0.71073","MoKα","","0.0903","0.0459","","","0.1064","0.1244","","","","","","1.037","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104885","17.334","0.003","18.742","0.004","19.677","0.004","90","","90","","90","","6393","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Pd(Cl)(CH2Ph)(CNArDipp2)2","","","- C73 H89 Cl N2 O Pd -","- C73 H89 Cl N2 O Pd -","- C292 H356 Cl4 N8 O4 Pd4 -","4","1","","Liezel A. Labios; Matthew D. Millard; Arnold L. Rheingold; Joshua S. Figueroa","Bond Activation, Substrate Addition and Catalysis by an Isolable Two-Coordinate Pd(0) Bis-Isocyanide Monomer","Journal of the American Chemical Society","2009","131","","11318","11319","10.1021/ja905338x","","","0.71073","MoKα","","0.0486","0.0407","","","0.0784","0.0837","","","","","","1.099","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104886","12.2424","0.001","14.6791","0.0011","18.6713","0.0015","90","","90.998","0.004","90","","3354.9","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Pd(Br)(Mes)(CNArDipp2)2","","","- C75 H95 Br N2 O Pd -","- C75 H95 Br N2 O Pd -","- C150 H190 Br2 N4 O2 Pd2 -","2","1","","Liezel A. Labios; Matthew D. Millard; Arnold L. Rheingold; Joshua S. Figueroa","Bond Activation, Substrate Addition and Catalysis by an Isolable Two-Coordinate Pd(0) Bis-Isocyanide Monomer","Journal of the American Chemical Society","2009","131","","11318","11319","10.1021/ja905338x","","","1.54178","CuKα","","0.0305","0.0273","","","0.059","0.0603","","","","","","0.995","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104887","13.964","0.003","16.224","0.003","17.605","0.004","67.2","0.03","70.62","0.03","71.18","0.03","3381.1","1.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[TlPd(CNArDipp2)2]OTf","","","- C63 H74 F3 N2 O3 Pd S Tl -","- C63 H74 F3 N2 O3 Pd S Tl -","- C126 H148 F6 N4 O6 Pd2 S2 Tl2 -","2","1","","Liezel A. Labios; Matthew D. Millard; Arnold L. Rheingold; Joshua S. Figueroa","Bond Activation, Substrate Addition and Catalysis by an Isolable Two-Coordinate Pd(0) Bis-Isocyanide Monomer","Journal of the American Chemical Society","2009","131","","11318","11319","10.1021/ja905338x","","","0.71073","MoKα","","0.0628","0.045","","","0.0956","0.1053","","","","","","1.049","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104888","12.285","0.0004","16.4373","0.0006","13.7484","0.0005","90","","95.637","0.002","90","","2762.82","0.17","102","2","102","2","","","","","","","","5","P 1 21 1","P 2yb","4","(O2)Pd(CNArDipp2)2","","","- C62 H74 N2 O2 Pd -","- C62 H74 N2 O2 Pd -","- C124 H148 N4 O4 Pd2 -","2","1","","Liezel A. Labios; Matthew D. Millard; Arnold L. Rheingold; Joshua S. Figueroa","Bond Activation, Substrate Addition and Catalysis by an Isolable Two-Coordinate Pd(0) Bis-Isocyanide Monomer","Journal of the American Chemical Society","2009","131","","11318","11319","10.1021/ja905338x","","","1.54178","CuKα","","0.0311","0.0268","","","0.0622","0.0786","","","","","","1.035","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104889","28.359","0.015","17.767","0.009","16.697","0.009","90","","114.925","0.007","90","","7629","7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pd(ONPh)2(CNArDipp2)2","","","- C78 H94 N4 O3 Pd -","- C78 H94 N4 O3 Pd -","- C312 H376 N16 O12 Pd4 -","4","0.5","","Liezel A. Labios; Matthew D. Millard; Arnold L. Rheingold; Joshua S. Figueroa","Bond Activation, Substrate Addition and Catalysis by an Isolable Two-Coordinate Pd(0) Bis-Isocyanide Monomer","Journal of the American Chemical Society","2009","131","","11318","11319","10.1021/ja905338x","","","0.71073","MoKα","","0.045","0.0373","","","0.129","0.1353","","","","","","1.084","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104890","7.0684","0.0007","23.052","0.0015","18.1015","0.0015","90","0.005","90.643","0.004","90","0.005","2949.3","0.4","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H14 Br N3 O3 -","- C13 H14 Br N3 O3 -","- C104 H112 Br8 N24 O24 -","8","4","","Christopher F. Bender; Francis K. Yoshimoto; Christopher L. Paradise; Jef K. De Brabander","A Concise Synthesis of Berkelic Acid Inspired by Combining the Natural Products Spicifernin and Pulvilloric Acid","Journal of the American Chemical Society","2009","131","","11350","11352","10.1021/ja905387r","","","0.71069","MoKα","","0.1396","0.0636","","","0.11","0.138","","","","","","1.002","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104891","15.817","0.003","17.21","0.003","15.875","0.003","90","","94.079","0.003","90","","4310.4","1.4","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 B Cl6 F4 N P2 Pd S2 -","- C34 H38 B Cl6 F4 N P2 Pd S2 -","- C136 H152 B4 Cl24 F16 N4 P8 Pd4 S8 -","4","1","","Jerzy W. Wiench; Christophe Michon; Arkady Ellern; Paul Hazendonk; Adriana Iuga; Robert J. Angelici; Marek Pruski","Solid-State NMR Investigations of the Immobilization of a BF4- Salt of a Palladium(II) Complex on Silica","Journal of the American Chemical Society","2009","131","","11801","11810","10.1021/ja902982u","","","0.71073","MoKα","","0.0579","0.0442","","","0.1173","0.1305","","","","","","1.044","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104892","9.6443","0.0004","16.8924","0.0008","12.6854","0.0006","90","","107.826","0.002","90","","1967.43","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 B F4 N4 -","- C19 H23 B F4 N4 -","- C76 H92 B4 F16 N16 -","4","1","","Israel Fernández; C. Adam Dyker; Alan DeHope; Bruno Donnadieu; Gernot Frenking; Guy Bertrand","Exocyclic Delocalization at the Expense of Aromaticity in 3,5-bis(π-Donor) Substituted Pyrazolium Ions and Corresponding Cyclic Bent Allenes","Journal of the American Chemical Society","2009","131","","11875","11881","10.1021/ja903396e","","","0.71073","MoKα","","0.0528","0.0417","","","0.122","0.1288","","","","","","1.067","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104893","9.1713","0.0002","10.9023","0.0003","11.3064","0.0003","90","","100.156","0.001","90","","1112.79","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 B2 F8 N4 -","- C19 H24 B2 F8 N4 -","- C38 H48 B4 F16 N8 -","2","1","","Israel Fernández; C. Adam Dyker; Alan DeHope; Bruno Donnadieu; Gernot Frenking; Guy Bertrand","Exocyclic Delocalization at the Expense of Aromaticity in 3,5-bis(π-Donor) Substituted Pyrazolium Ions and Corresponding Cyclic Bent Allenes","Journal of the American Chemical Society","2009","131","","11875","11881","10.1021/ja903396e","","","0.71073","MoKα","","0.0362","0.0344","","","0.0927","0.0943","","","","","","1.043","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104894","7.5453","0.0004","9.7332","0.0006","27.3553","0.0016","90","","90","","90","","2009","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N3 O6 S2 -","- C20 H19 N3 O6 S2 -","- C80 H76 N12 O24 S8 -","4","1","","Le Li; Madhu Ganesh; Daniel Seidel","Catalytic Enantioselective Synthesis of α,β-Diamino Acid Derivatives","Journal of the American Chemical Society","2009","131","","11648","11649","10.1021/ja9034494","","","0.71073","MoKα","","0.0494","0.0449","","","0.0968","0.0991","","","","","","1","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104895","11.5766","0.0005","7.3289","0.0003","14.242","0.0007","90","","100.941","0.001","90","","1186.38","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21.75 H20.5 Cl1.5 N3 O5 S2 -","- C21.74 H20.48 Cl1.48 N3 O5 S2 -","- C43.48 H40.96 Cl2.96 N6 O10 S4 -","2","1","","Le Li; Madhu Ganesh; Daniel Seidel","Catalytic Enantioselective Synthesis of α,β-Diamino Acid Derivatives","Journal of the American Chemical Society","2009","131","","11648","11649","10.1021/ja9034494","","","0.71073","MoKα","","0.0525","0.0461","","","0.1083","0.1121","","","","","","1.009","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104896","8.2055","0.0005","18.3154","0.0011","20.732","0.0012","90","","90","","90","","3115.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 N4 O7 S3 -","- C28 H36 N4 O7 S3 -","- C112 H144 N16 O28 S12 -","4","1","","Le Li; Madhu Ganesh; Daniel Seidel","Catalytic Enantioselective Synthesis of α,β-Diamino Acid Derivatives","Journal of the American Chemical Society","2009","131","","11648","11649","10.1021/ja9034494","","","0.71073","MoKα","","0.0678","0.0495","","","0.1049","0.113","","","","","","1.005","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104897","27.0173","0.0004","27.0173","0.0004","29.017","0.0005","90","","90","","90","","21180.5","0.6","150","2","150","2","","","","","","","","6","I 4/m m m","-I 4 2","139","[Co32(C40H44S4O4)6(u3-O)24(H2O)24](CHCl3)12(H2O)110","","","- C252 H544 Cl36 Co32 O182 S24 -","- C240 H264 Co32 O72 S24 -","- C480 H528 Co64 O144 S48 -","2","0.0625","","Yanfeng Bi; Xiu-Teng Wang; Wuping Liao; Xiaofei Wang; Xinwu Wang; Hongjie Zhang; Song Gao","A {Co32} Nanosphere Supported by p-tert-Butylthiacalix[4]arene","Journal of the American Chemical Society","2009","131","","11650","11651","10.1021/ja9034939","","","0.71073","MoKα","","0.1007","0.0962","","","0.2726","0.2793","","","","","","1.087","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4104898","25.1839","0.0018","25.1839","0.0018","35.168","0.003","90","","90","","90","","22305","3","150","2","150","2","","","","","","","","6","I 4/m","-I 4","87","[Co32(C40H44S4O4)6(u3-O)24(H2O)24](CHCl3)12(H2O)69","","","- C252 H462 Cl36 Co32 O141 S24 -","- C240 H264 Co32 O72 S24 -","- C480 H528 Co64 O144 S48 -","2","0.125","","Yanfeng Bi; Xiu-Teng Wang; Wuping Liao; Xiaofei Wang; Xinwu Wang; Hongjie Zhang; Song Gao","A {Co32} Nanosphere Supported by p-tert-Butylthiacalix[4]arene","Journal of the American Chemical Society","2009","131","","11650","11651","10.1021/ja9034939","","","0.71073","MoKα","","0.0969","0.0847","","","0.261","0.2731","","","","","","1.067","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4104899","24.567","0.002","24.567","0.002","61.843","0.006","90","","90","","120","","32324","5","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","[Co32(C40H44S4O4)6(u3-O)24(H2O)24](C7H8)16(H2O)73","","","- C352 H586 Co32 O145 S24 -","- C240 H264 Co32 O72 S24 -","- C720 H792 Co96 O216 S72 -","3","0.166667","","Yanfeng Bi; Xiu-Teng Wang; Wuping Liao; Xiaofei Wang; Xinwu Wang; Hongjie Zhang; Song Gao","A {Co32} Nanosphere Supported by p-tert-Butylthiacalix[4]arene","Journal of the American Chemical Society","2009","131","","11650","11651","10.1021/ja9034939","","","0.71073","MoKα","","0.21","0.0814","","","0.2128","0.2469","","","","","","0.887","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4104900","7.115","0.001","20.084","0.004","20.49","0.004","90","","90","","90","","2928","0.9","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H36 Cl8 N8 O2 Rh2 Zn -","- C12 H36 Cl8 N8 O2 Rh2 Zn -","- C48 H144 Cl32 N32 O8 Rh8 Zn4 -","4","1","","Marja Hyvärinen; Juha Vaara; Anna Goldammer; Barbara Kutzky; Kaspar Hegetschweiler; Martin Kaupp; Michal Straka","Characteristic Spin-Orbit Induced 1H(CH2) Chemical Shifts upon Deprotonation of Group 9 Polyamine Aqua and Alcohol Complexes","Journal of the American Chemical Society","2009","131","","11909","11918","10.1021/ja903637m","","","0.71073","MoKα","","0.0309","0.0291","","","0.0694","0.0699","","","","","","0.996","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104901","6.539","0.002","13.164","0.004","14.645","0.004","65.821","0.003","79.428","0.004","85.202","0.004","1130.5","0.6","143","2","143","2","","","","","","","","4","P -1","-P 1","2","12-060B","toste02","","- C28 H27 N2 O3 -","- C28 H27 N2 O3 -","- C56 H54 N4 O6 -","2","1","","Nathan D. Shapiro; Yun Shi; F. Dean Toste","Gold-Catalyzed [3+3]-Annulation of Azomethine Imines with Propargyl Esters","Journal of the American Chemical Society","2009","131","","11654","11655","10.1021/ja903863b","","","0.71073","MoKα","","0.1928","0.0822","","","0.1485","0.1907","","","","","","1.009","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4104902","10.4286","0.0017","11.2717","0.0019","11.714","0.002","79.044","0.003","86.108","0.002","88.648","0.003","1348.7","0.4","152","2","152","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H36 N2 O4 -","- C29 H36 N2 O4 -","- C58 H72 N4 O8 -","2","1","","Nathan D. Shapiro; Yun Shi; F. Dean Toste","Gold-Catalyzed [3+3]-Annulation of Azomethine Imines with Propargyl Esters","Journal of the American Chemical Society","2009","131","","11654","11655","10.1021/ja903863b","","","0.71073","MoKα","","0.0794","0.041","","","0.119","0.1484","","","","","","0.964","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104903","7.2741","0.0007","11.956","0.001","13.775","0.002","93.247","0.002","97.858","0.002","104.157","0.003","1145.6","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H30 N6 O3 -","- C23 H30 N6 O3 -","- C46 H60 N12 O6 -","2","1","","Bo Jiang; Shu-Jiang Tu; Parminder Kaur; Walter Wever; Guigen Li","Four-Component Domino Reaction Leading to Multifunctionalized Quinazolines","Journal of the American Chemical Society","2009","131","","11660","11661","10.1021/ja904011s","","","0.71073","MoKα","","0.0874","0.0476","","","0.1083","0.1342","","","","","","1.012","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104904","9.9003","0.0012","14.2621","0.0015","15.4218","0.0019","78.214","0.001","74.135","0.001","89.33","0.002","2048.2","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H51 N9 O5 -","- C43 H51 N9 O5 -","- C86 H102 N18 O10 -","2","1","","Bo Jiang; Shu-Jiang Tu; Parminder Kaur; Walter Wever; Guigen Li","Four-Component Domino Reaction Leading to Multifunctionalized Quinazolines","Journal of the American Chemical Society","2009","131","","11660","11661","10.1021/ja904011s","","","0.71073","MoKα","","0.3341","0.092","","","0.1002","0.1364","","","","","","0.922","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104905","5.58542","0.0001","9.57633","0.00017","18.7881","0.0003","90","","90","","90","","1004.93","0.03","103.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C48 H56 O8 -","4","1","","I-Hon Chen; Liang Yin; Wataru Itano; Motomu Kanai; Masakatsu Shibasaki","Catalytic Asymmetric Synthesis of Chiral Tertiary Organoboronic Esters through Conjugate Boration of β-Substituted Cyclic Enones","Journal of the American Chemical Society","2009","131","","11664","11665","10.1021/ja9045839","","","1.54187","CuKα","","","0.0327","","","","0.0843","","","","","","1.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104906","8.40672","0.00019","10.169","0.0002","17.6972","0.0004","90","","90","","90","","1512.9","0.06","296.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","I-Hon Chen; Liang Yin; Wataru Itano; Motomu Kanai; Masakatsu Shibasaki","Catalytic Asymmetric Synthesis of Chiral Tertiary Organoboronic Esters through Conjugate Boration of β-Substituted Cyclic Enones","Journal of the American Chemical Society","2009","131","","11664","11665","10.1021/ja9045839","","","1.54187","CuKα","","","0.0345","","","","0.0857","","","","","","0.835","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104907","9.0638","0.0007","24.795","0.0018","12.9383","0.0009","90","","94.374","0.001","90","","2899.2","0.4","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N6 O6 -","- C32 H26 N6 O6 -","- C128 H104 N24 O24 -","4","1","","Neng-Fang She; Meng Gao; Xiang-Gao Meng; Guang-Fu Yang; Johannes A. A. W. Elemans; An-Xin Wu; Lyle Isaacs","Supramolecular Rhombic Grids Formed from Bimolecular Building Blocks","Journal of the American Chemical Society","2009","131","","11695","11697","10.1021/ja904920r","","","0.71073","MoKα","","0.079","0.0524","","","0.1302","0.1415","","","","","","0.929","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104908","9.1972","0.0008","24.688","0.002","13.7801","0.0012","90","","93.996","0.002","90","","3121.3","0.5","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H48 N12 O12 -","- C68 H48 N12 O12 -","- C136 H96 N24 O24 -","2","0.5","","Neng-Fang She; Meng Gao; Xiang-Gao Meng; Guang-Fu Yang; Johannes A. A. W. Elemans; An-Xin Wu; Lyle Isaacs","Supramolecular Rhombic Grids Formed from Bimolecular Building Blocks","Journal of the American Chemical Society","2009","131","","11695","11697","10.1021/ja904920r","","","0.71073","MoKα","","0.1064","0.054","","","0.1453","0.1659","","","","","","1.027","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104909","13.0506","0.0013","15.4094","0.0015","16.2829","0.0016","90","","97.462","0.002","90","","3246.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 N6 O5 -","- C38 H26 N6 O5 -","- C152 H104 N24 O20 -","4","1","","Neng-Fang She; Meng Gao; Xiang-Gao Meng; Guang-Fu Yang; Johannes A. A. W. Elemans; An-Xin Wu; Lyle Isaacs","Supramolecular Rhombic Grids Formed from Bimolecular Building Blocks","Journal of the American Chemical Society","2009","131","","11695","11697","10.1021/ja904920r","","","0.71073","MoKα","","0.1644","0.0794","","","0.1935","0.2283","","","","","","0.996","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104910","23.4302","0.0011","16.0237","0.0007","18.8649","0.0009","90","","114.012","0.001","90","","6469.7","0.5","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N6 O6 -","- C32 H30 N6 O6 -","- C256 H240 N48 O48 -","8","1","","Neng-Fang She; Meng Gao; Xiang-Gao Meng; Guang-Fu Yang; Johannes A. A. W. Elemans; An-Xin Wu; Lyle Isaacs","Supramolecular Rhombic Grids Formed from Bimolecular Building Blocks","Journal of the American Chemical Society","2009","131","","11695","11697","10.1021/ja904920r","","","0.71073","MoKα","","0.1169","0.0655","","","0.174","0.1963","","","","","","0.932","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104911","15.154","0.004","8.887","0.002","15.525","0.003","90","","93.895","0.005","90","","2086","0.8","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","Potassium (R)-1,1'-binaphthyl-2,2'-disulfonate","","","- C20 H12 K2 O7.5 S2 -","- C20 H12 K2 O7.5 S2 -","- C80 H48 K8 O30 S8 -","4","2","","Manabu Hatano; Toshikatsu Maki; Katsuhiko Moriyama; Manabu Arinobe; Kazuaki Ishihara","Pyridinium 1,1'-Binaphthyl-2,2'-disulfonates as Highly Effective Chiral Brønsted Acid-Base Combined Salt Catalysts for Enantioselective Mannich-Type Reaction","Journal of the American Chemical Society","2009","131","","12015","12015","","","","0.71073","MoKα","","0.06","0.0455","","","0.1003","0.1073","","","","","","1.012","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4104912","11.116","0.002","12.684","0.003","17.491","0.003","75.86","0.02","86.89","0.02","73.76","0.02","2295.7","0.8","240","1","240","1","","","","","","","","3","P -1","-P 1","2","Dimitry-71","","","- C36 H85 Si6 -","- C36 H85 Si6 -","- C72 H170 Si12 -","2","1","","Gregory Molev; Boris Tumanskii; Dennis Sheberla; Mark Botoshansky; Dmitry Bravo-Zhivotovskii; Yitzhak Apeloig","Isolable Photoreactive Polysilyl Radicals","Journal of the American Chemical Society","2009","131","","11698","11700","10.1021/ja905097b","","","0.71073","MoKα","","0.3028","0.1523","","","0.3579","0.4056","","","","","","0.937","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104913","12.182","0.002","21.657","0.004","24.212","0.005","90","","90","","90","","6388","2","240","1","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dimitry-75","","","- C52 H117 Li O4 Si6 -","- C52 H117 Li O4 Si6 -","- C208 H468 Li4 O16 Si24 -","4","1","","Gregory Molev; Boris Tumanskii; Dennis Sheberla; Mark Botoshansky; Dmitry Bravo-Zhivotovskii; Yitzhak Apeloig","Isolable Photoreactive Polysilyl Radicals","Journal of the American Chemical Society","2009","131","","11698","11700","10.1021/ja905097b","","","0.71073","MoKα","","0.2239","0.0725","","","0.1362","0.1785","","","","","","0.867","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104914","13.1","0.004","12.199","0.004","10.354","0.003","90","","93.802","0.004","90","","1651","0.9","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O6 S -","- C16 H18 N2 O6 S -","- C64 H72 N8 O24 S4 -","4","1","","Grant T. Rice; M. Christina White","Allylic C-H Amination for the Preparation of syn-1,3-Amino Alcohol Motifs","Journal of the American Chemical Society","2009","131","","11707","11711","10.1021/ja9054959","","","0.71073","MoKα","","0.0564","0.0355","","","0.091","0.0993","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104915","11.1197","0.0003","5.5098","0.0002","13.7464","0.0004","90","","103.168","0.002","90","","820.06","0.04","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 N2 O8 S -","- C14 H16 N2 O8 S -","- C28 H32 N4 O16 S2 -","2","1","","Grant T. Rice; M. Christina White","Allylic C-H Amination for the Preparation of syn-1,3-Amino Alcohol Motifs","Journal of the American Chemical Society","2009","131","","11707","11711","10.1021/ja9054959","","","0.71073","MoKα","","0.0483","0.0355","","","0.0708","0.075","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104916","10.4476","0.0007","10.4476","","10.4476","","90","","90","","90","","1140.38","0.08","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- K O7 Ta2 Y -","- K O7 Ta2 Y -","- K8 O56 Ta16 Y8 -","8","0.0416667","","May Nyman; Mark A. Rodriguez; Lauren E. Shea-Rohwer; James E. Martin; Paula P. Provencio","Highly Versatile Rare Earth Tantalate Pyrochlore Nanophosphors","Journal of the American Chemical Society","2009","131","","11652","11653","10.1021/ja903823w","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.05981","","2.61","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4104917","5.43088","","5.43088","","5.43088","","90","","90","","90","","160.181","","","","","","","","","","","","","1","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Si -","- Si -","- Si8 -","8","0.0416667","","May Nyman; Mark A. Rodriguez; Lauren E. Shea-Rohwer; James E. Martin; Paula P. Provencio","Highly Versatile Rare Earth Tantalate Pyrochlore Nanophosphors","Journal of the American Chemical Society","2009","131","","11652","11653","10.1021/ja903823w","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.05981","","2.61","","","","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104918","10.3847","0.0007","10.3847","","10.3847","","90","","90","","90","","1119.91","0.08","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- K Lu O7 Ta2 -","- K Lu O7 Ta2 -","- K8 Lu8 O56 Ta16 -","8","0.0416667","","May Nyman; Mark A. Rodriguez; Lauren E. Shea-Rohwer; James E. Martin; Paula P. Provencio","Highly Versatile Rare Earth Tantalate Pyrochlore Nanophosphors","Journal of the American Chemical Society","2009","131","","11652","11653","10.1021/ja903823w","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.07058","","2.72","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4104919","10.53833","0.00011","10.53833","","10.53833","","90","","90","","90","","1170.35","0.012","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Gd0.5 K0.33 O3.42 Ta -","- Gd0.5 K0.3334 O3.41665 Ta -","- Gd8 K5.3344 O54.6664 Ta16 -","16","0.0833333","","May Nyman; Mark A. Rodriguez; Lauren E. Shea-Rohwer; James E. Martin; Paula P. Provencio","Highly Versatile Rare Earth Tantalate Pyrochlore Nanophosphors","Journal of the American Chemical Society","2009","131","","11652","11653","10.1021/ja903823w","powder diffraction","x-ray","1.54059","Kα~1~","","","","","","","","0.08787","","2.03","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4104920","3.2599","0.0007","3.2599","0.0007","30.116","0.009","90","","90","","120","","277.16","0.12","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C Al O Sc -","- C2 Al2 O2 Sc2 -","- C6 Al6 O6 Sc6 -","3","0.0833333","","Melanie Schroeder; Harald Hillebrecht","Synthesis, Structure, Bonding, and Properties of the Oxide Carbide ScAlOC, a New Type of Compound","Journal of the American Chemical Society","2009","131","","12172","12179","10.1021/ja900206h","","","0.71073","MoKα","","0.0312","0.0212","","","0.039","0.0397","","","","","","0.853","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104921","11.535","0.003","10.241","0.003","23.567","0.007","90","","101.126","0.0011","90","","2731.6","1.3","273","2","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 F6 Fe N O6 S2 -","- C28 H17 F6 Fe N O6 S2 -","- C112 H68 F24 Fe4 N4 O24 S8 -","4","1","","Mio Kondo; Maai Uchikawa; Kosuke Namiki; Wen-Wei Zhang; Shoko Kume; Eiji Nishibori; Hiroyuki Suwa; Shinobu Aoyagi; Makoto Sakata; Masaki Murata; Yoshio Kobayashi; Hiroshi Nishihara","Counterion-Dependent Valence Tautomerization of Ferrocenyl-Conjugated Pyrylium Salts","Journal of the American Chemical Society","2009","131","","12112","12124","10.1021/ja900393e","","","0.7107","MoKα","","","0.0609","","","","0.1498","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104922","20.936","0.004","11.511","0.002","8.5179","0.0015","90","","90","","90","","2052.8","0.6","113","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H17 B F4 Fe O2 -","- C26 H17 B F4 Fe O2 -","- C104 H68 B4 F16 Fe4 O8 -","4","1","","Mio Kondo; Maai Uchikawa; Kosuke Namiki; Wen-Wei Zhang; Shoko Kume; Eiji Nishibori; Hiroyuki Suwa; Shinobu Aoyagi; Makoto Sakata; Masaki Murata; Yoshio Kobayashi; Hiroshi Nishihara","Counterion-Dependent Valence Tautomerization of Ferrocenyl-Conjugated Pyrylium Salts","Journal of the American Chemical Society","2009","131","","12112","12124","10.1021/ja900393e","","","0.7107","MoKα","","","0.0463","","","","0.0924","","","","","","1.127","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104923","21.098","0.003","11.6557","0.0018","8.5243","0.0013","90","","90","","90","","2096.2","0.5","113","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H17 B F4 Fe O2 -","- C26 H17 B F4 Fe O2 -","- C104 H68 B4 F16 Fe4 O8 -","4","1","","Mio Kondo; Maai Uchikawa; Kosuke Namiki; Wen-Wei Zhang; Shoko Kume; Eiji Nishibori; Hiroyuki Suwa; Shinobu Aoyagi; Makoto Sakata; Masaki Murata; Yoshio Kobayashi; Hiroshi Nishihara","Counterion-Dependent Valence Tautomerization of Ferrocenyl-Conjugated Pyrylium Salts","Journal of the American Chemical Society","2009","131","","12112","12124","10.1021/ja900393e","","","0.7107","MoKα","","","0.0438","","","","0.1136","","","","","","1.096","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104924","21.3928","0.0011","11.7972","0.0008","8.7432","0.0005","90","","90","","90","","2206.6","0.2","113","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H17 F6 Fe O2 P -","- C26 H17 F6 Fe O2 P -","- C104 H68 F24 Fe4 O8 P4 -","4","1","","Mio Kondo; Maai Uchikawa; Kosuke Namiki; Wen-Wei Zhang; Shoko Kume; Eiji Nishibori; Hiroyuki Suwa; Shinobu Aoyagi; Makoto Sakata; Masaki Murata; Yoshio Kobayashi; Hiroshi Nishihara","Counterion-Dependent Valence Tautomerization of Ferrocenyl-Conjugated Pyrylium Salts","Journal of the American Chemical Society","2009","131","","12112","12124","10.1021/ja900393e","","","0.7107","MoKα","","","0.0387","","","","0.0854","","","","","","1.057","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104925","21.4729","0.0011","11.9441","0.0008","8.7948","0.0005","90","","90","","90","","2255.6","0.2","273","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H17 F6 Fe O2 P -","- C26 H17 F6 Fe O2 P -","- C104 H68 F24 Fe4 O8 P4 -","4","1","","Mio Kondo; Maai Uchikawa; Kosuke Namiki; Wen-Wei Zhang; Shoko Kume; Eiji Nishibori; Hiroyuki Suwa; Shinobu Aoyagi; Makoto Sakata; Masaki Murata; Yoshio Kobayashi; Hiroshi Nishihara","Counterion-Dependent Valence Tautomerization of Ferrocenyl-Conjugated Pyrylium Salts","Journal of the American Chemical Society","2009","131","","12112","12124","10.1021/ja900393e","","","0.7107","MoKα","","","0.0414","","","","0.0994","","","","","","1.053","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104926","10.2217","0.0007","14.3059","0.001","16.3729","0.0011","84.928","0.001","85.776","0.001","73.792","0.001","2287.1","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","(2-dicyclohexylphosphino)-2'-(N,N-dimethylamino)-1,1'-biphenyl)","","- C26 H36 N P -","- C26 H36 N P -","- C104 H144 N4 P4 -","4","2","","Ramendra Pratap; Damon Parrish; Padmaja Gunda; D. Venkataraman; Mahesh K. Lakshman","Influence of Biaryl Phosphine Structure on C-N and C-C Bond Formation","Journal of the American Chemical Society","2009","131","","12240","12249","10.1021/ja902679b","","","0.71073","MoKα","","0.0443","0.0377","","","0.095","0.0998","","","","","","1.035","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104927","10.278","0.002","10.311","0.002","12.886","0.003","74.533","0.003","78.947","0.004","62.497","0.003","1163.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(2-dicyclohexylphosphino-4'-(N,N-dimethylamino)-1,1'-biphenyl)","","- C26 H36 N P -","- C26 H36 N P -","- C52 H72 N2 P2 -","2","1","","Ramendra Pratap; Damon Parrish; Padmaja Gunda; D. Venkataraman; Mahesh K. Lakshman","Influence of Biaryl Phosphine Structure on C-N and C-C Bond Formation","Journal of the American Chemical Society","2009","131","","12240","12249","10.1021/ja902679b","","","0.71073","MoKα","","0.0496","0.0412","","","0.1095","0.1153","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104928","41.026","0.0007","13.029","0.0003","20.375","0.0005","90","","99.81","0.0007","90","","10731.8","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","MKL01","","","- C52 H66 O4 P2 Pd2 -","- C52 H66 O4 P2 Pd2 -","- C416 H528 O32 P16 Pd16 -","8","1","","Ramendra Pratap; Damon Parrish; Padmaja Gunda; D. Venkataraman; Mahesh K. Lakshman","Influence of Biaryl Phosphine Structure on C-N and C-C Bond Formation","Journal of the American Chemical Society","2009","131","","12240","12249","10.1021/ja902679b","","","0.71073","MoKα","","0.0946","0.0443","","","0.1084","0.1495","","","","","","1.034","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104929","10.5058","0.0006","14.2215","0.0013","15.2801","0.0014","100.908","0.004","106.131","0.005","98.363","0.005","2105.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","PG06-34","","","- C22 H29 O2 P Pd -","- C22 H29 O2 P Pd -","- C88 H116 O8 P4 Pd4 -","4","2","","Ramendra Pratap; Damon Parrish; Padmaja Gunda; D. Venkataraman; Mahesh K. Lakshman","Influence of Biaryl Phosphine Structure on C-N and C-C Bond Formation","Journal of the American Chemical Society","2009","131","","12240","12249","10.1021/ja902679b","","","0.71073","MoKα","","0.0896","0.0695","","","0.1655","0.1808","","","","","","1.146","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104930","14.4432","0.0004","17.5999","0.0005","21.5142","0.0006","90","","106.756","0.001","90","","5236.7","0.3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H38 N O2 P Pd -","- C28 H38 N O2 P Pd -","- C224 H304 N8 O16 P8 Pd8 -","8","1","","Ramendra Pratap; Damon Parrish; Padmaja Gunda; D. Venkataraman; Mahesh K. Lakshman","Influence of Biaryl Phosphine Structure on C-N and C-C Bond Formation","Journal of the American Chemical Society","2009","131","","12240","12249","10.1021/ja902679b","","","1.54178","CuKα","","0.0248","0.0238","","","0.0651","0.0659","","","","","","1.057","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104931","12.1477","0.0005","12.2155","0.0005","15.1806","0.0006","74.541","0.002","72.625","0.002","82.11","0.002","2068.01","0.15","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H45 B F10 P -","- C48 H45 B F10 P -","- C96 H90 B2 F20 P2 -","2","1","","Cornelia M. Mömming; Silke Frömel; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reactions of an Intramolecular Frustrated Lewis Pair with Unsaturated Substrates: Evidence for a Concerted Olefin Addition Reaction","Journal of the American Chemical Society","2009","131","","12280","12289","10.1021/ja903511s","","","1.54178","CuKα","","0.0521","0.0485","","","0.1296","0.1334","","","","","","1.043","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104932","17.2244","0.0004","12.5179","0.0004","21.0243","0.0007","90","","110.039","0.001","90","","4258.7","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H43 B F10 P -","- C46 H43 B F10 P -","- C184 H172 B4 F40 P4 -","4","1","","Cornelia M. Mömming; Silke Frömel; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reactions of an Intramolecular Frustrated Lewis Pair with Unsaturated Substrates: Evidence for a Concerted Olefin Addition Reaction","Journal of the American Chemical Society","2009","131","","12280","12289","10.1021/ja903511s","","","1.54178","CuKα","","0.0707","0.0563","","","0.1416","0.1541","","","","","","1.033","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104933","33.6177","0.001","12.866","0.0004","16.5773","0.0005","90","","111.635","0.002","90","","6665","0.4","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 B F10 O P -","- C36 H34 B F10 O P -","- C288 H272 B8 F80 O8 P8 -","8","1","","Cornelia M. Mömming; Silke Frömel; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reactions of an Intramolecular Frustrated Lewis Pair with Unsaturated Substrates: Evidence for a Concerted Olefin Addition Reaction","Journal of the American Chemical Society","2009","131","","12280","12289","10.1021/ja903511s","","","1.54178","CuKα","","0.0524","0.0484","","","0.1312","0.1349","","","","","","1.061","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104934","9.4496","0.0003","30.8893","0.0011","12.4289","0.0004","90","","98.642","0.002","90","","3586.7","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H34 B F10 O P -","- C41 H34 B F10 O P -","- C164 H136 B4 F40 O4 P4 -","4","1","","Cornelia M. Mömming; Silke Frömel; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reactions of an Intramolecular Frustrated Lewis Pair with Unsaturated Substrates: Evidence for a Concerted Olefin Addition Reaction","Journal of the American Chemical Society","2009","131","","12280","12289","10.1021/ja903511s","","","1.54178","CuKα","","0.0709","0.0504","","","0.1134","0.127","","","","","","1.041","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104935","15.5665","0.0004","23.5385","0.0005","33.1929","0.0009","90","","90","","90","","12162.3","0.5","100.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H91.249 O43.6245 -","- C45 H49 O43.6245 -","- C360 H392 O348.996 -","8","2","","Naoki Tomimasu; Akira Kanaya; Yoshinori Takashima; Hiroyasu Yamaguchi; Akira Harada","Social Self-Sorting: Alternating Supramolecular Oligomer Consisting of Isomers","Journal of the American Chemical Society","2009","131","","12339","12343","10.1021/ja903988c","","","1.54187","CuKα","","","0.0698","","","","0.2154","","","","","","1.134","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104936","9.3892","0.0006","10.1178","0.0007","22.411","0.0016","90","","94.508","0.001","90","","2122.4","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Au N3 P -","- C24 H19 Au N3 P -","- C96 H76 Au4 N12 P4 -","4","1","","Haifeng Duan; Sujata Sengupta; Jeffrey L. Petersen; Novruz G. Akhmedov; Xiaodong Shi","Triazole-Au(I) Complexes: A New Class of Catalysts with Improved Thermal Stability and Reactivity for Intermolecular Alkyne Hydroamination","Journal of the American Chemical Society","2009","131","","12100","12102","10.1021/ja9041093","","","0.71073","MoKα","","0.0356","0.0315","","","0.0812","0.0849","","","","","","1.059","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104937","12.8722","0.0009","13.3804","0.0009","32.718","0.002","90","","90","","90","","5635.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H27 Au N3 P -","- C32 H27 Au N3 P -","- C256 H216 Au8 N24 P8 -","8","1","","Haifeng Duan; Sujata Sengupta; Jeffrey L. Petersen; Novruz G. Akhmedov; Xiaodong Shi","Triazole-Au(I) Complexes: A New Class of Catalysts with Improved Thermal Stability and Reactivity for Intermolecular Alkyne Hydroamination","Journal of the American Chemical Society","2009","131","","12100","12102","10.1021/ja9041093","","","0.71073","MoKα","","0.0423","0.0301","","","0.0751","0.0841","","","","","","1.051","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104938","9.28","0.0006","13.2256","0.0008","14.1159","0.0009","110.107","0.001","104.804","0.001","100.656","0.001","1500.24","0.16","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H27 Au F3 N3 O3 P S -","- C25 H20 Au F3 N3 O3 P S -","- C50 H40 Au2 F6 N6 O6 P2 S2 -","2","1","","Haifeng Duan; Sujata Sengupta; Jeffrey L. Petersen; Novruz G. Akhmedov; Xiaodong Shi","Triazole-Au(I) Complexes: A New Class of Catalysts with Improved Thermal Stability and Reactivity for Intermolecular Alkyne Hydroamination","Journal of the American Chemical Society","2009","131","","12100","12102","10.1021/ja9041093","","","0.71073","MoKα","","0.0418","0.0378","","","0.0998","0.1022","","","","","","1.024","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104939","10.256","0.0012","41.907","0.005","18.538","0.002","90","","97.396","0.003","90","","7901.3","1.6","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C81 H80 B F24 Ir N O4 P -","- C81 H80 B F24 Ir N O4 P -","- C324 H320 B4 F96 Ir4 N4 O16 P4 -","4","2","","Javier Mazuela; J. Johan Verendel; Mercedes Coll; Benjamín Schäffner; Armin Börner; Pher G. Andersson; Oscar Pàmies; Montserrat Diéguez","Iridium Phosphite-Oxazoline Catalysts for the Highly Enantioselective Hydrogenation of Terminal Alkenes","Journal of the American Chemical Society","2009","131","","12344","12353","10.1021/ja904152r","","","0.71073","MoKα","","0.0648","0.0525","","","0.1289","0.1342","","","","","","1.017","","","","has coordinates,has disorder","288243","2023-12-12","09:57:14",""
"4104940","13.5426","0.0013","7.7407","0.0007","14.5124","0.0014","90","","114.739","0.002","90","","1381.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","","Yagang Zhang; Judith M. Lavin; Ken D. Shimizu","Solvent Programmable Polymers Based on Restricted Rotation","Journal of the American Chemical Society","2009","131","","12062","12063","10.1021/ja904234w","","","0.71073","MoKα","","0.0461","0.0408","","","0.109","0.1128","","","","","","1.072","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104941","6.7979","0.0005","8.0996","0.0007","26.069","0.002","90","","96.837","0.004","90","","1425.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H5 Cl N O2 Rh -","- C3 H5 Cl N O2 Rh -","- C24 H40 Cl8 N8 O16 Rh8 -","8","2","","Kwonho Jang; Il Gu Jung; Hye Jin Nam; Duk-Young Jung; Seung Uk Son","One-Dimensional Organometallic Molecular Wires via Assembly of Rh(CO)2Cl(amine): Chemical Control of Interchain Distances and Optical Properties","Journal of the American Chemical Society","2009","131","","12046","12047","10.1021/ja904247e","","","0.71073","MoKα","","0.1147","0.0724","","","0.1635","0.1824","","","","","","1.065","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104942","7.966","0.002","8.544","0.002","31.115","0.008","90","","90","","90","","2117.7","0.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","09082a","","","- C20 H23 Br4 N -","- C20 H23 Br4 N -","- C80 H92 Br16 N4 -","4","1","","Barry M. Trost; David A. Thaisrivongs","Palladium-Catalyzed Regio-, Diastereo-, and Enantioselective Benzylic Allylation of 2-Substituted Pyridines","Journal of the American Chemical Society","2009","131","","12056","12057","10.1021/ja904441a","","","0.71073","MoKα","","0.0331","0.0265","","","0.0552","0.0573","","","","","","1.077","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104943","12.628","0.004","12.917","0.005","14.498","0.006","82.04","0.03","73.07","0.02","65.24","0.02","2054","1.4","93","","","","","","","","","","","6","P 1","P 1","1","","","","- C38 H56 Cl6 Mn N2 O2 -","- C38 H56 Cl6 Mn N2 O2 -","- C76 H112 Cl12 Mn2 N4 O4 -","2","2","","Takuya Kurahashi; Masahiko Hada; Hiroshi Fujii","Critical Role of External Axial Ligands in Chirality Amplification of trans-Cyclohexane-1,2-diamine in Salen Complexes","Journal of the American Chemical Society","2009","131","","12394","12405","10.1021/ja904635n","","","0.7107","MoKα","","","0.0842","","","","0.2474","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104944","8.5312","0.0004","13.4133","0.0007","19.9001","0.001","90","","90","","90","","2277.2","0.2","93.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Mn N8 O2 -","- C22 H24 Mn N8 O2 -","- C88 H96 Mn4 N32 O8 -","4","1","","Takuya Kurahashi; Masahiko Hada; Hiroshi Fujii","Critical Role of External Axial Ligands in Chirality Amplification of trans-Cyclohexane-1,2-diamine in Salen Complexes","Journal of the American Chemical Society","2009","131","","12394","12405","10.1021/ja904635n","","","0.7107","MoKα","","","0.0381","","","","0.0946","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104945","9.671","0.002","23.135","0.005","10.267","0.002","90","0.0014","95.5892","0.0015","90","0.0014","2286.2","0.8","93.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H62 F6 Mn N4 O4 -","- C44 H62 F6 Mn N4 O4 -","- C88 H124 F12 Mn2 N8 O8 -","2","1","","Takuya Kurahashi; Masahiko Hada; Hiroshi Fujii","Critical Role of External Axial Ligands in Chirality Amplification of trans-Cyclohexane-1,2-diamine in Salen Complexes","Journal of the American Chemical Society","2009","131","","12394","12405","10.1021/ja904635n","","","0.7107","MoKα","","","0.0499","","","","0.1418","","","","","","0.897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104946","11.3472","0.0003","21.915","0.0005","20.9629","0.0005","90","","101.536","0.001","90","","5107.6","0.2","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Y@C82Ad-A","Y@C82Ad-A","","- C94.5 H14 S5 Y -","- C94.58 H14 S5 Y -","- C378.32 H56 S20 Y4 -","4","1","","Xing Lu; Hidefumi Nikawa; Lai Feng; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase","Location of the Yttrium Atom in Y@C82 and Its Influence on the Reactivity of Cage Carbons","Journal of the American Chemical Society","2009","131","","12066","12067","10.1021/ja905001w","","x-ray","0.71075","MoKα","","0.0772","0.0647","","","0.1611","0.1732","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104947","10.914","0.002","7.502","0.002","11.151","0.003","90","","112.923","0.007","90","","840.9","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 4-O-acetyl-2-azido-3-O-benzyl-2-deoxy-1-lactone‒ D-mannopyranosyluronate","","- C16 H17 N3 O7 -","- C16 H17 N3 O7 -","- C32 H34 N6 O14 -","2","1","","Marthe T. C. Walvoort; Gerrit Lodder; Jaroslaw Mazurek; Herman S. Overkleeft; Jeroen D. C. Codée; Gijsbert A. van der Marel","Equatorial Anomeric Triflates from Mannuronic Acid Esters","Journal of the American Chemical Society","2009","131","","12080","12081","10.1021/ja905008p","","","0.71073","MoKα","","0.0561","0.043","","","0.0926","0.0999","","","","","","1.039","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104948","10.989","0.002","7.718","0.002","11.376","0.003","90","","115.766","0.007","90","","868.9","0.4","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 4-O-acetyl-2-azido-3-O-benzyl-2-deoxy‒ 1-lactone-D-mannopyranosyluronate","","- C16 H17 N3 O7 -","- C16 H17 N3 O7 -","- C32 H34 N6 O14 -","2","1","","Marthe T. C. Walvoort; Gerrit Lodder; Jaroslaw Mazurek; Herman S. Overkleeft; Jeroen D. C. Codée; Gijsbert A. van der Marel","Equatorial Anomeric Triflates from Mannuronic Acid Esters","Journal of the American Chemical Society","2009","131","","12080","12081","10.1021/ja905008p","","","0.71073","MoKα","","0.0419","0.0338","","","0.0861","0.0909","","","","","","1.042","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104949","10.5972","0.0011","13.1485","0.0013","16.0477","0.0016","90","","90","","90","","2236","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 Br O6 -","- C21 H33 Br O6 -","- C84 H132 Br4 O24 -","4","1","","Jessica Tanuwidjaja; Sze-Sze Ng; Timothy F. Jamison","Total Synthesis of ent-Dioxepandehydrothyrsiferol via a Bromonium-Initiated Epoxide-Opening Cascade","Journal of the American Chemical Society","2009","131","","12084","12085","10.1021/ja9052366","","","0.71073","MoKα","","0.039","0.0326","","","0.0817","0.0844","","","","","","1.043","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104950","14.4934","0.0006","14.5117","0.0005","17.8874","0.0006","90","","90","","90","","3762.1","0.2","100","","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","SCOF-2rs.Et 100K","","","- C36 H32 Fe N6 O7 S2 -","- C36 H32 Fe N6 O7 S2 -","- C144 H128 Fe4 N24 O28 S8 -","4","0.5","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material","Journal of the American Chemical Society","2009","131","","12106","12108","10.1021/ja905360g","","","0.71073","MoKα","","0.1209","0.1088","","","0.2166","0.226","","","","","","1.103","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104951","14.6829","0.001","14.6829","0.001","17.92","0.003","90","","90","","90","","3863.3","0.7","200","2","200","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","SCOF-2(Acn)as","","","- C34 H32 Fe N8 O4 S2 -","- C34 H32 Fe N8 O4 S2 -","- C136 H128 Fe4 N32 O16 S8 -","4","0.25","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material","Journal of the American Chemical Society","2009","131","","12106","12108","10.1021/ja905360g","","","0.71073","MoKα","","0.1699","0.0779","","","0.204","0.3215","","","","","","1.092","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104952","14.639","0.005","14.639","0.005","17.851","0.012","90","","90","","90","","3825","3","200","2","200","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","SCOF-2(Et)as","","","- C36 H32 Fe N6 O7 S2 -","- C36 H32 Fe N6 O7 S2 -","- C144 H128 Fe4 N24 O28 S8 -","4","0.25","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material","Journal of the American Chemical Society","2009","131","","12106","12108","10.1021/ja905360g","","","0.71073","MoKα","","0.1918","0.088","","","0.2308","0.3644","","","","","","1.133","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104953","14.675","0.003","14.675","0.003","17.984","0.007","90","","90","","90","","3873","1.9","200","2","200","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","SCOF-2(Me)as","","","- C33 H32 Fe N6 O7 S2 -","- C33 H32 Fe N6 O7 S2 -","- C132 H128 Fe4 N24 O28 S8 -","4","0.25","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material","Journal of the American Chemical Society","2009","131","","12106","12108","10.1021/ja905360g","","","0.71073","MoKα","","0.1852","0.079","","","0.191","0.3054","","","","","","1.11","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104954","14.726","0.001","14.726","0.001","17.899","0.003","90","","90","","90","","3881.5","0.7","220","2","220","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","SCOF-2(Pr)as","","","- C33 H32 Fe N6 O5 S2 -","- C33 H32 Fe N6 O5 S2 -","- C132 H128 Fe4 N24 O20 S8 -","4","0.25","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material","Journal of the American Chemical Society","2009","131","","12106","12108","10.1021/ja905360g","","","0.71073","MoKα","","0.1516","0.0806","","","0.2323","0.3396","","","","","","1.138","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104955","14.3578","0.0006","14.3904","0.0005","17.8813","0.0007","90","","90","","90","","3694.5","0.2","100","","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","SCOF-2rs.Me 100K","","","- C33 H32 Fe N6 O7 S2 -","- C33 H32 Fe N6 O7 S2 -","- C132 H128 Fe4 N24 O28 S8 -","4","0.5","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material","Journal of the American Chemical Society","2009","131","","12106","12108","10.1021/ja905360g","","","0.71073","MoKα","","0.104","0.0631","","","0.172","0.1988","","","","","","1.051","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104956","8.817","0.003","17.774","0.006","22.892","0.008","90","","90","","90","","3587","2","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 Cl N O11 -","- C38 H40 Cl N O11 -","- C152 H160 Cl4 N4 O44 -","4","1","","Kazuo Komano; Satoshi Shimamura; Yutaro Norizuki; Donglin Zhao; Chizuko Kabuto; Itaru Sato; Masahiro Hirama","Total Synthesis and Structure Revision of the (-)-Maduropeptin Chromophore","Journal of the American Chemical Society","2009","131","","12072","12073","10.1021/ja905397p","","","0.7107","MoKα","","","0.0564","","","","0.0762","","","","","","0.901","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104957","26.28791","0.00029","26.28791","","26.28791","","90","","90","","90","","18166.4","0.2","4","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C6 H2 Cu O4 -","- C6 H2 Cu O4 -","- C288 H96 Cu48 O192 -","48","0.25","","Shengchang Xiang; Wei Zhou; Jose M. Gallegos; Yun Liu; Banglin Chen","Exceptionally High Acetylene Uptake in a Microporous Metal-Organic Framework with Open Metal Sites","Journal of the American Chemical Society","2009","131","","12415","12419","10.1021/ja904782h","powder diffraction","neutron","2.0782","","","","","","","","","0.06467","","0.91","","","","","","","has coordinates,has Fobs","178795","2020-10-21","18:00:00",""
"4104958","26.3256","0.00023","26.3256","","26.3256","","90","","90","","90","","18244.6","0.16","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C7.12 H2 Cu D1.12 O4 -","- C7.12184 H2 Cu D1.12184 O4 -","- C341.848 H96 Cu48 D53.8483 O192 -","48","0.25","","Shengchang Xiang; Wei Zhou; Jose M. Gallegos; Yun Liu; Banglin Chen","Exceptionally High Acetylene Uptake in a Microporous Metal-Organic Framework with Open Metal Sites","Journal of the American Chemical Society","2009","131","","12415","12419","10.1021/ja904782h","powder diffraction","neutron","2.0782","","","","","","","","","0.05933","","0.92","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4104959","26.33858","0.00031","26.33858","","26.33858","","90","","90","","90","","18271.6","0.2","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C8.31 H2 Cu D2.3 O4 -","- C8.305 H2 Cu D2.30464 O4 -","- C398.64 H96 Cu48 D110.623 O192 -","48","0.25","","Shengchang Xiang; Wei Zhou; Jose M. Gallegos; Yun Liu; Banglin Chen","Exceptionally High Acetylene Uptake in a Microporous Metal-Organic Framework with Open Metal Sites","Journal of the American Chemical Society","2009","131","","12415","12419","10.1021/ja904782h","powder diffraction","neutron","2.0782","","","","","","","","","0.09464","","1.18","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4104960","12.86","0.0009","14.4333","0.0006","19.2986","0.0013","90","","101.673","0.005","90","","3508","0.4","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C32 H21 Cl F12 I2 N Ni O P -","- C32 H21 Cl F12 I2 N Ni O P -","- C128 H84 Cl4 F48 I8 N4 Ni4 O4 P4 -","4","1","","Andreas Berkefeld; Matthias Drexler; Heiko M. Möller; Stefan Mecking","Mechanistic Insights on the Copolymerization of Polar Vinyl Monomers with Neutral Ni(II) Catalysts","Journal of the American Chemical Society","2009","131","","12613","12622","10.1021/ja901360b","","","0.71073","MoKα","","0.0692","0.0434","","","0.1213","0.141","","","","","","0.958","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104961","15.2527","0.0004","17.7608","0.0006","17.9335","0.0007","70.384","0.001","68.897","0.001","81.386","0.001","4267","0.2","153","2","153","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","CoC60C6H4tBu5COCO","","- C127 H77 Cl2.5 Co O2 -","- C127 H77 Cl2.5 Co O2 -","- C254 H154 Cl5 Co2 O4 -","2","1","","Yutaka Matsuo; Masashi Maruyama; S. Shankara Gayathri; Tomoya Uchida; Dirk M. Guldi; Hideo Kishida; Arao Nakamura; Eiichi Nakamura","π-Conjugated Multidonor/Acceptor Arrays of Fullerene-Cobaltadithiolene-Tetrathiafulvalene: From Synthesis and Structure to Electronic Interactions","Journal of the American Chemical Society","2009","131","","12643","12649","10.1021/ja902312q","","x-ray","0.71073","MoKα","","0.0869","0.0673","","","0.1971","0.2176","","","","","","1.093","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104962","40.931","0.003","18.8015","0.0014","23.723","0.0016","90","","108.671","0.002","90","","17296","2","153","2","153","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","Ar5C60CoS2C2S2C2S2C2S2CoC60Ar5_CS2_C6H6","","- C240 H142 Co2 S12 -","- C240 H142 Co2 S12 -","- C960 H568 Co8 S48 -","4","0.5","","Yutaka Matsuo; Masashi Maruyama; S. Shankara Gayathri; Tomoya Uchida; Dirk M. Guldi; Hideo Kishida; Arao Nakamura; Eiichi Nakamura","π-Conjugated Multidonor/Acceptor Arrays of Fullerene-Cobaltadithiolene-Tetrathiafulvalene: From Synthesis and Structure to Electronic Interactions","Journal of the American Chemical Society","2009","131","","12643","12649","10.1021/ja902312q","","x-ray","0.71075","MoKα","","0.2557","0.1699","","","0.4263","0.4839","","","","","","1.485","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104963","9.297","0.002","12.066","0.003","18.576","0.005","103.632","0.004","103.712","0.004","95.549","0.004","1941.5","0.8","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H52 Fe N2 -","- C48 H52 Fe N2 -","- C96 H104 Fe2 N4 -","2","1","","W. Alexander Merrill; Troy A. Stich; Marcin Brynda; Gregory J. Yeagle; James C. Fettinger; Raymond De Hont; William M. Reiff; Charles E. Schulz; R. David Britt; Philip P. Power","Direct Spectroscopic Observation of Large Quenching of First-Order Orbital Angular Momentum with Bending in Monomeric, Two-Coordinate Fe(II) Primary Amido Complexes and the Profound Magnetic Effects of the Absence of Jahn- and Renner-Teller Distortions in Rigorously Linear Coordination","Journal of the American Chemical Society","2009","131","","12693","12702","10.1021/ja903439t","","","0.71073","MoKα","","0.0845","0.0695","","","0.1805","0.1868","","","","","","1.099","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104964","12.9432","0.0009","17.715","0.0012","14.6698","0.001","90","","113.157","0.001","90","","3092.6","0.4","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H100 Fe N2 -","- C72 H100 Fe N2 -","- C144 H200 Fe2 N4 -","2","0.5","","W. Alexander Merrill; Troy A. Stich; Marcin Brynda; Gregory J. Yeagle; James C. Fettinger; Raymond De Hont; William M. Reiff; Charles E. Schulz; R. David Britt; Philip P. Power","Direct Spectroscopic Observation of Large Quenching of First-Order Orbital Angular Momentum with Bending in Monomeric, Two-Coordinate Fe(II) Primary Amido Complexes and the Profound Magnetic Effects of the Absence of Jahn- and Renner-Teller Distortions in Rigorously Linear Coordination","Journal of the American Chemical Society","2009","131","","12693","12702","10.1021/ja903439t","","","0.71073","MoKα","","0.0637","0.0442","","","0.1107","0.1234","","","","","","1.077","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104965","17.218","0.004","14.076","0.003","18.067","0.004","90","","92.848","0.004","90","","4373.3","1.7","151","2","151","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H27 N2 Rh -","- C29 H27 N2 Rh -","- C232 H216 N16 Rh8 -","8","1","","Jennifer L. McBee; Jose Escalada; T. Don Tilley","High Oxidation State Rhodium and Iridium Bis(silyl)dihydride Complexes Supported by a Chelating Pyridyl-Pyrrolide Ligand","Journal of the American Chemical Society","2009","131","","12703","12713","10.1021/ja9035169","","","0.71073","MoKα","","0.1224","0.0614","","","0.1322","0.1682","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104966","17.3745","0.0015","14.1163","0.0012","17.9468","0.0016","90","","93.433","0.002","90","","4393.8","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H27 Ir N2 -","- C29 H27 Ir N2 -","- C232 H216 Ir8 N16 -","8","1","","Jennifer L. McBee; Jose Escalada; T. Don Tilley","High Oxidation State Rhodium and Iridium Bis(silyl)dihydride Complexes Supported by a Chelating Pyridyl-Pyrrolide Ligand","Journal of the American Chemical Society","2009","131","","12703","12713","10.1021/ja9035169","","","0.71073","MoKα","","0.0454","0.0347","","","0.0899","0.0947","","","","","","1.033","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104967","11.817","0.001","15.419","0.002","25.088","0.003","90","","93.571","0.002","90","","4562.3","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H45 N2 Rh Si2 -","- C57 H45 N2 Rh Si2 -","- C228 H180 N8 Rh4 Si8 -","4","1","","Jennifer L. McBee; Jose Escalada; T. Don Tilley","High Oxidation State Rhodium and Iridium Bis(silyl)dihydride Complexes Supported by a Chelating Pyridyl-Pyrrolide Ligand","Journal of the American Chemical Society","2009","131","","12703","12713","10.1021/ja9035169","","","0.7107","MoKα","","0.1003","0.0497","","","0.0966","0.1127","","","","","","0.958","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104968","15.0745","0.0007","13.881","0.0007","22.165","0.001","90","","95.978","0.001","90","","4612.8","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H53 N2 Rh Si2 -","- C53 H53 N2 Rh Si2 -","- C212 H212 N8 Rh4 Si8 -","4","1","","Jennifer L. McBee; Jose Escalada; T. Don Tilley","High Oxidation State Rhodium and Iridium Bis(silyl)dihydride Complexes Supported by a Chelating Pyridyl-Pyrrolide Ligand","Journal of the American Chemical Society","2009","131","","12703","12713","10.1021/ja9035169","","","0.7107","MoKα","","0.054","0.0377","","","0.0937","0.105","","","","","","1.019","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104969","11.9089","0.0011","15.3952","0.0014","25.034","0.002","90","","93.419","0.001","90","","4581.6","0.7","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H47 Ir N2 Si2 -","- C57 H47 Ir N2 Si2 -","- C228 H188 Ir4 N8 Si8 -","4","1","","Jennifer L. McBee; Jose Escalada; T. Don Tilley","High Oxidation State Rhodium and Iridium Bis(silyl)dihydride Complexes Supported by a Chelating Pyridyl-Pyrrolide Ligand","Journal of the American Chemical Society","2009","131","","12703","12713","10.1021/ja9035169","","","0.71073","MoKα","","0.0437","0.0318","","","0.081","0.101","","","","","","1.008","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104970","17.0919","0.0015","12.7726","0.0011","20.3881","0.0018","90","","107.434","0.001","90","","4246.4","0.6","157","2","157","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H50 N4 Rh2 Si -","- C50 H50 N4 Rh2 Si -","- C200 H200 N16 Rh8 Si4 -","4","0.5","","Jennifer L. McBee; Jose Escalada; T. Don Tilley","High Oxidation State Rhodium and Iridium Bis(silyl)dihydride Complexes Supported by a Chelating Pyridyl-Pyrrolide Ligand","Journal of the American Chemical Society","2009","131","","12703","12713","10.1021/ja9035169","","","0.71073","MoKα","","0.0549","0.0391","","","0.0955","0.103","","","","","","1.024","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104971","11.7915","0.001","13.4246","0.0011","13.5335","0.0011","61.518","0.001","68.25","0.001","75.752","0.002","1742.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H70 N4 Rh2 Si2 -","- C88 H70 N4 Rh2 Si2 -","- C88 H70 N4 Rh2 Si2 -","1","0.5","","Jennifer L. McBee; Jose Escalada; T. Don Tilley","High Oxidation State Rhodium and Iridium Bis(silyl)dihydride Complexes Supported by a Chelating Pyridyl-Pyrrolide Ligand","Journal of the American Chemical Society","2009","131","","12703","12713","10.1021/ja9035169","","","0.71073","MoKα","","0.0587","0.046","","","0.1182","0.1234","","","","","","1.038","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104972","35.521","0.006","12.568","0.002","25.217","0.004","90","","99.028","0.002","90","","11118","3","149","2","149","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61.8 H49.8 N2 P Rh Si -","- C61.8 H49.8 N2 P Rh Si -","- C494.4 H398.4 N16 P8 Rh8 Si8 -","8","1","","Jennifer L. McBee; Jose Escalada; T. Don Tilley","High Oxidation State Rhodium and Iridium Bis(silyl)dihydride Complexes Supported by a Chelating Pyridyl-Pyrrolide Ligand","Journal of the American Chemical Society","2009","131","","12703","12713","10.1021/ja9035169","","","0.71073","MoKα","","0.0844","0.0778","","","0.2301","0.2413","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104973","4.9495","0.0004","11.5335","0.0008","12.6368","0.0009","105.023","0.003","100.037","0.003","92.006","0.004","683.61","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H34 O4 -","- C36 H34 O4 -","- C36 H34 O4 -","1","0.5","","Chih-Ming Chou; Shern-Long Lee; Chih-Hsien Chen; Akkattu Thankappan Biju; Hsian-Wen Wang; Yi-Lin Wu; Guo-Fu Zhang; Kuang-Wei Yang; Tsong-Shin Lim; Min-Jie Huang; Po-Yu Tsai; Kin-Chuan Lin; Shou-Ling Huang; Chun-hsien Chen; Tien-Yau Luh","Polymeric Ladderphanes","Journal of the American Chemical Society","2009","131","","12579","12585","10.1021/ja9035362","","","0.71073","MoKα","","0.1226","0.0752","","","0.1834","0.2216","","","","","","1.088","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104974","29.8146","0.0005","29.8146","0.0005","6.9588","0.0001","90","","90","","90","","6185.75","0.17","150","","150","","","","","","","","?","5","I 41/a :2","-I 4ad","88","","caesium copper(I) silver(I) cyanide Cs3Ag2Cu3(CN)8","","- C24 Ag6 Cs9 Cu9 N24 -","- C24 Ag6 Cs9 Cu9 N24 -","- C96 Ag24 Cs36 Cu36 N96 -","4","0.25","","Ann M. Chippindale; Simon J. Hibble","Helices, Chirality and Interpenetration: the Versatility and Remarkable Interconversion of Silver-Copper Cyanide Frameworks","Journal of the American Chemical Society","2009","131","","12736","12744","10.1021/ja903841e","","","0.71073","MoKα","","0.0474","0.0379","","0.0505","0.0466","0.0466","","","","","","0.9729","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104975","6.976","0.0001","10.8809","0.0002","15.4101","0.0003","80.1383","0.0008","85.2979","0.0008","86.04","0.001","1146.74","0.03","150","2","150","","","","","","","","?","7","P -1","-P 1","2","","caesium copper(I) silver(I) cyanide hydrate, CsAgCu(CN)3.1/3H2O","","- C9 H2 Ag3 Cs3 Cu3 N9 O -","- C9 H2 Ag3 Cs3 Cu3 N9 O -","- C18 H4 Ag6 Cs6 Cu6 N18 O2 -","2","1","","Ann M. Chippindale; Simon J. Hibble","Helices, Chirality and Interpenetration: the Versatility and Remarkable Interconversion of Silver-Copper Cyanide Frameworks","Journal of the American Chemical Society","2009","131","","12736","12744","10.1021/ja903841e","","","0.71073","MoKα","","0.0386","0.0336","","0.0452","0.0416","0.0416","","","","","","1.0285","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104976","7.2298","0.0003","7.2298","0.0003","24.6254","0.0008","90","","90","","120","","1114.72","0.07","150","2","150","2","","","","","","","?","5","P 61 2 2","P 61 2 (0 0 5)","178","","caesium copper(I) silver(I) cyanide, CsAgCu(CN)3","","- C9 Ag3 Cs3 Cu3 N9 -","- C9 Ag3 Cs3 Cu3 N9 -","- C18 Ag6 Cs6 Cu6 N18 -","2","0.166667","","Ann M. Chippindale; Simon J. Hibble","Helices, Chirality and Interpenetration: the Versatility and Remarkable Interconversion of Silver-Copper Cyanide Frameworks","Journal of the American Chemical Society","2009","131","","12736","12744","10.1021/ja903841e","","","0.71073","MoKα","","0.0259","0.0215","","0.0273","0.0248","0.0248","","","","","","1.0165","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104977","9.642","0.001","12.0145","0.0013","15.1903","0.0016","86.042","0.002","83.851","0.002","74.685","0.002","1685.9","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H41 Cl4 Co2 N6 O18 P -","- C19 H39 Cl4 Co2 N6 O18 P -","- C38 H78 Cl8 Co4 N12 O36 P2 -","2","1","","Guoqiang Feng; Eric A. Tanifum; Harry Adams; Alvan C. Hengge; Nicholas H. Williams","Mechanism and Transition State Structure of Aryl Methylphosphonate Esters Doubly Coordinated to a Dinuclear Cobalt(III) Center","Journal of the American Chemical Society","2009","131","","12771","12779","10.1021/ja904134n","","","0.71073","MoKα","","0.0726","0.0509","","","0.1406","0.1515","","","","","","1.101","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104978","10.3104","0.0008","18.2269","0.0016","19.6351","0.0017","69.55","0.003","76.632","0.003","73.969","0.002","3285.6","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H41 Cl3 Co2 N6 O17.5 P -","- C19 H40 Cl3 Co2 N6 O17.5 P -","- C76 H160 Cl12 Co8 N24 O70 P4 -","4","2","","Guoqiang Feng; Eric A. Tanifum; Harry Adams; Alvan C. Hengge; Nicholas H. Williams","Mechanism and Transition State Structure of Aryl Methylphosphonate Esters Doubly Coordinated to a Dinuclear Cobalt(III) Center","Journal of the American Chemical Society","2009","131","","12771","12779","10.1021/ja904134n","","","0.71073","MoKα","","0.1062","0.0503","","","0.117","0.137","","","","","","0.842","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104979","10.615","0.0011","14.5889","0.0015","29.856","0.003","90","","90.395","0.017","90","","4623.4","0.8","93.15","","93.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Cd2 N6 O19 -","- C34 H24 Cd2 N6 O19 -","- C136 H96 Cd8 N24 O76 -","4","1","","Joobeom Seo; Ryotaro Matsuda; Hirotoshi Sakamoto; Charlotte Bonneau; Susumu Kitagawa","A Pillared-Layer Coordination Polymer with a Rotatable Pillar Acting as a Molecular Gate for Guest Molecules","Journal of the American Chemical Society","2009","131","","12792","12800","10.1021/ja904363b","","","0.710747","MoKα","","0.0735","0.0692","","","0.1829","0.1874","","","","","","1.056","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104980","10.236","0.002","14.827","0.003","25.877","0.005","90","","95.45","0.03","90","","3909.6","1.3","293","2","93.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Cd2 N5 O18 -","- C34 H24 Cd2 N6 O17 -","- C136 H96 Cd8 N24 O68 -","4","1","","Joobeom Seo; Ryotaro Matsuda; Hirotoshi Sakamoto; Charlotte Bonneau; Susumu Kitagawa","A Pillared-Layer Coordination Polymer with a Rotatable Pillar Acting as a Molecular Gate for Guest Molecules","Journal of the American Chemical Society","2009","131","","12792","12800","10.1021/ja904363b","","","0.710747","MoKα","","0.0849","0.0663","","","0.1766","0.1954","","","","","","1.074","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104981","10.701","0.008","14.17","0.011","22.205","0.017","90","","98.117","0.013","90","","3333","4","293","2","378.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Cd2 N6 O12 -","- C32 H24 Cd2 N6 O12 -","- C128 H96 Cd8 N24 O48 -","4","1","","Joobeom Seo; Ryotaro Matsuda; Hirotoshi Sakamoto; Charlotte Bonneau; Susumu Kitagawa","A Pillared-Layer Coordination Polymer with a Rotatable Pillar Acting as a Molecular Gate for Guest Molecules","Journal of the American Chemical Society","2009","131","","12792","12800","10.1021/ja904363b","","","0.710747","MoKα","","0.1288","0.1006","","","0.2613","0.2911","","","","","","1.099","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104982","10.261","0.002","14.825","0.003","25.931","0.005","90","","95.4","0.03","90","","3927.1","1.4","293","2","93.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Cd2 N6 O17 -","- C32 H25 Cd2 N6 O17 -","- C128 H100 Cd8 N24 O68 -","4","1","","Joobeom Seo; Ryotaro Matsuda; Hirotoshi Sakamoto; Charlotte Bonneau; Susumu Kitagawa","A Pillared-Layer Coordination Polymer with a Rotatable Pillar Acting as a Molecular Gate for Guest Molecules","Journal of the American Chemical Society","2009","131","","12792","12800","10.1021/ja904363b","","","0.710747","MoKα","","0.1597","0.1202","","","0.2961","0.34","","","","","","1.073","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104983","19.4191","0.0002","19.4191","0.0002","16.2612","0.0002","90","","90","","90","","6132.12","0.12","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","3","P 41 21 2","P 4abw 2nw","92","","","","- C14 H26 O4 -","- C14 H26 O4 -","- C224 H416 O64 -","16","2","","Timothy J. Donohoe; Robert M. Harris; Oliver Williams; Gráinne C. Hargaden; Jeremy Burrows; Jeremy Parker","Concise Syntheses of the Natural Products (+)-Sylvaticin and (+)-cis-Sylvaticin","Journal of the American Chemical Society","2009","131","","12854","12861","10.1021/ja9049959","","","0.71073","MoKα","","0.0551","0.0365","","0.0605","0.0468","0.0468","","","","","","1.095","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104984","24.1131","0.0008","15.1598","0.0006","20.9379","0.0007","90","","111.258","0.002","90","","7133.1","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C78 H102 Mo2 N4 -","- C78 H102 Mo2 N4 -","- C312 H408 Mo8 N16 -","4","0.5","","Yi-Chou Tsai; Hong-Zhang Chen; Chie-Chieh Chang; Jen-Shiang K. Yu; Gene-Hsiang Lee; Yu Wang; Ting-Shen Kuo","Journey from Mo-Mo Quadruple Bonds to Quintuple Bonds","Journal of the American Chemical Society","2009","131","","12534","12535","10.1021/ja905035f","","","0.71073","MoKα","","0.0971","0.0639","","","0.1712","0.195","","","","","","1.014","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104985","22.5252","0.0003","10.3225","0.0001","27.1465","0.0004","90","","111.849","0.0005","90","","5858.62","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H78 Mo2 N4 -","- C62 H78 Mo2 N4 -","- C248 H312 Mo8 N16 -","4","1","","Yi-Chou Tsai; Hong-Zhang Chen; Chie-Chieh Chang; Jen-Shiang K. Yu; Gene-Hsiang Lee; Yu Wang; Ting-Shen Kuo","Journey from Mo-Mo Quadruple Bonds to Quintuple Bonds","Journal of the American Chemical Society","2009","131","","12534","12535","10.1021/ja905035f","","","0.71073","MoKα","","0.0483","0.0321","","","0.0868","0.0969","","","","","","1.081","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104986","16.7531","0.0002","16.9193","0.0002","23.5981","0.0003","90","","100.869","0.0006","90","","6568.91","0.14","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H104 Cl3 Li Mo2 N4 O2 -","- C64 H104 Cl3 Li Mo2 N4 O2 -","- C256 H416 Cl12 Li4 Mo8 N16 O8 -","4","1","","Yi-Chou Tsai; Hong-Zhang Chen; Chie-Chieh Chang; Jen-Shiang K. Yu; Gene-Hsiang Lee; Yu Wang; Ting-Shen Kuo","Journey from Mo-Mo Quadruple Bonds to Quintuple Bonds","Journal of the American Chemical Society","2009","131","","12534","12535","10.1021/ja905035f","","","0.71073","MoKα","","0.083","0.0546","","","0.1501","0.1656","","","","","","1.091","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104987","13.0147","0.0015","14.9375","0.0017","19.169","0.002","70.483","0.003","83.999","0.003","88.553","0.002","3493","0.7","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H98 Cl3 Li Mo2 N4 O2 -","- C70 H98 Cl3 Li Mo2 N4 O2 -","- C140 H196 Cl6 Li2 Mo4 N8 O4 -","2","1","","Yi-Chou Tsai; Hong-Zhang Chen; Chie-Chieh Chang; Jen-Shiang K. Yu; Gene-Hsiang Lee; Yu Wang; Ting-Shen Kuo","Journey from Mo-Mo Quadruple Bonds to Quintuple Bonds","Journal of the American Chemical Society","2009","131","","12534","12535","10.1021/ja905035f","","","0.71073","MoKα","","0.1244","0.0633","","","0.134","0.1573","","","","","","1.077","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104988","19.4691","0.0005","19.7241","0.0005","23.412","0.0009","110.754","0.002","93.66","0.002","116.557","0.001","7249.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H133 B8 N68 O37 Pd6 -","- C96 H133 B8 N68 O37 Pd6 -","- C192 H266 B16 N136 O74 Pd12 -","2","1","","Zheng Lu; Carolyn B. Knobler; Hiroyasu Furukawa; Bo Wang; Guannan Liu; Omar M. Yaghi","Synthesis and Structure of Chemically Stable Metal-Organic Polyhedra","Journal of the American Chemical Society","2009","131","","12532","12533","10.1021/ja905101s","","","1.54178","CuKα","","0.1135","0.0872","","","0.2326","0.2558","","","","","","1.067","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104989","19.4691","0.0005","19.7241","0.0005","23.412","0.0009","110.754","0.002","93.66","0.002","116.557","0.001","7249.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H96 B8 N64 Pd6 -","- C96 H96 B8 N64 Pd6 -","- C192 H192 B16 N128 Pd12 -","2","1","","Zheng Lu; Carolyn B. Knobler; Hiroyasu Furukawa; Bo Wang; Guannan Liu; Omar M. Yaghi","Synthesis and Structure of Chemically Stable Metal-Organic Polyhedra","Journal of the American Chemical Society","2009","131","","12532","12533","10.1021/ja905101s","","","1.54178","CuKα","","0.0837","0.0654","","","0.1845","0.2026","","","","","","1.148","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104990","16.9134","0.0003","16.9134","0.0003","34.344","0.001","90","","90","","90","","9824.6","0.4","100","2","100","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C128 H179 B8 N68 O26 Pd6 -","- C128 H183.04 B8 N68 O26.04 Pd6 -","- C256 H366.08 B16 N136 O52.08 Pd12 -","2","0.125","","Zheng Lu; Carolyn B. Knobler; Hiroyasu Furukawa; Bo Wang; Guannan Liu; Omar M. Yaghi","Synthesis and Structure of Chemically Stable Metal-Organic Polyhedra","Journal of the American Chemical Society","2009","131","","12532","12533","10.1021/ja905101s","","","1.54178","CuKα","","0.0879","0.0824","","","0.1945","0.1986","","","","","","1.106","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104991","16.9134","0.0003","16.9134","0.0003","34.344","0.001","90","","90","","90","","9824.6","0.4","100","2","100","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C128 H160 B8 N64 Pd6 -","- C128 H160 B8 N64 Pd6 -","- C256 H320 B16 N128 Pd12 -","2","0.125","","Zheng Lu; Carolyn B. Knobler; Hiroyasu Furukawa; Bo Wang; Guannan Liu; Omar M. Yaghi","Synthesis and Structure of Chemically Stable Metal-Organic Polyhedra","Journal of the American Chemical Society","2009","131","","12532","12533","10.1021/ja905101s","","","1.54178","CuKα","","0.0655","0.0618","","","0.1558","0.1587","","","","","","1.069","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104992","9.858","0.002","12.9873","0.0014","13.198","0.003","90","","102.346","0.004","90","","1650.6","0.5","80.1","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O -","- C22.98 H19 N0.97 O -","- C91.92 H76 N3.88 O4 -","4","1","","Yi-Feng Wang; Shunsuke Chiba","Mn(III)-Mediated Reactions of Cyclopropanols with Vinyl Azides: Synthesis of Pyridine and 2-Azabicyclo[3.3.1]non-2-en-1-ol Derivatives","Journal of the American Chemical Society","2009","131","","12570","12572","10.1021/ja905110c","","x-ray","0.71075","MoKα","","","0.0658","","","","0.1059","","","","","","8.582","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104993","6.8395","","9.1094","0.0001","10.5243","0.0001","68.143","0.006","70.861","0.006","77.939","0.008","572.1","0.03","80.1","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N O -","- C10.63 H15.63 N0.77 O0.74 -","- C21.26 H31.26 N1.54 O1.48 -","2","1","","Yi-Feng Wang; Shunsuke Chiba","Mn(III)-Mediated Reactions of Cyclopropanols with Vinyl Azides: Synthesis of Pyridine and 2-Azabicyclo[3.3.1]non-2-en-1-ol Derivatives","Journal of the American Chemical Society","2009","131","","12570","12572","10.1021/ja905110c","","x-ray","0.71075","MoKα","","","0.0956","","","","0.0961","","","","","","10.024","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104994","10.4412","0.0009","7.8614","0.0007","15.9788","0.0013","90","","93.057","0.004","90","","1309.71","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Yi-Feng Wang; Shunsuke Chiba","Mn(III)-Mediated Reactions of Cyclopropanols with Vinyl Azides: Synthesis of Pyridine and 2-Azabicyclo[3.3.1]non-2-en-1-ol Derivatives","Journal of the American Chemical Society","2009","131","","12570","12572","10.1021/ja905110c","","","0.71073","MoKα","","0.0768","0.0443","","","0.1131","0.1358","","","","","","1.002","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104995","10.0059","0.0004","8.9092","0.0004","17.2816","0.0008","90","","94.226","0.002","90","","1536.37","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Yi-Feng Wang; Shunsuke Chiba","Mn(III)-Mediated Reactions of Cyclopropanols with Vinyl Azides: Synthesis of Pyridine and 2-Azabicyclo[3.3.1]non-2-en-1-ol Derivatives","Journal of the American Chemical Society","2009","131","","12570","12572","10.1021/ja905110c","","","0.71073","MoKα","","0.0537","0.0337","","","0.0753","0.0842","","","","","","1.038","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104996","20.9491","0.0008","11.4791","0.0004","12.8044","0.0005","90","","124.361","0.002","90","","2541.84","0.18","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 N O -","- C15 H19 N O -","- C120 H152 N8 O8 -","8","1","","Yi-Feng Wang; Shunsuke Chiba","Mn(III)-Mediated Reactions of Cyclopropanols with Vinyl Azides: Synthesis of Pyridine and 2-Azabicyclo[3.3.1]non-2-en-1-ol Derivatives","Journal of the American Chemical Society","2009","131","","12570","12572","10.1021/ja905110c","","","0.71073","MoKα","","0.0828","0.047","","","0.1086","0.1263","","","","","","1.038","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104997","5.9335","0.0003","9.0893","0.0004","10.6193","0.0005","85.05","0.002","81.807","0.002","79.992","0.002","557.13","0.05","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H19 N -","- C14 H19 N -","- C28 H38 N2 -","2","1","","Yi-Feng Wang; Shunsuke Chiba","Mn(III)-Mediated Reactions of Cyclopropanols with Vinyl Azides: Synthesis of Pyridine and 2-Azabicyclo[3.3.1]non-2-en-1-ol Derivatives","Journal of the American Chemical Society","2009","131","","12570","12572","10.1021/ja905110c","","","0.71073","MoKα","","0.053","0.0419","","","0.1214","0.1467","","","","","","1.156","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104998","7.1471","0.0005","12.6152","0.0008","9.9519","0.0007","90","","91.73","0.003","90","","896.88","0.11","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H26 Cu N2 O14 Se2 -","- C6 H26 Cu N2 O14 Se2 -","- C12 H52 Cu2 N4 O28 Se4 -","2","1","","Wen Zhang; Li-Zhuang Chen; Ren-Gen Xiong; Takayoshi Nakamura; Songping D. Huang","New Ferroelectrics Based on Divalent Metal Ion Alum","Journal of the American Chemical Society","2009","131","","12544","12545","10.1021/ja905399x","","","0.71075","MoKα","","0.0289","0.0281","","","0.0642","0.0648","","","","","","1.063","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104999","7.1294","0.0014","12.629","0.003","12.142","0.004","90","","124.84","0.02","90","","897.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H26 Cu N2 O14 Se2 -","- C6 H26 Cu N2 O14 Se2 -","- C12 H52 Cu2 N4 O28 Se4 -","2","0.5","","Wen Zhang; Li-Zhuang Chen; Ren-Gen Xiong; Takayoshi Nakamura; Songping D. Huang","New Ferroelectrics Based on Divalent Metal Ion Alum","Journal of the American Chemical Society","2009","131","","12544","12545","10.1021/ja905399x","","","0.71073","MoKα","","0.0437","0.0345","","","0.0753","0.0786","","","","","","1.106","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4105000","7.1403","0.0005","12.6022","0.0009","9.9441","0.0006","90","","91.936","0.002","90","","894.29","0.1","93","2","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C6 H12 Cu D14 N2 O14 Se2 -","- C6 H12 Cu D14 N2 O14 Se2 -","- C12 H24 Cu2 D28 N4 O28 Se4 -","2","1","","Wen Zhang; Li-Zhuang Chen; Ren-Gen Xiong; Takayoshi Nakamura; Songping D. Huang","New Ferroelectrics Based on Divalent Metal Ion Alum","Journal of the American Chemical Society","2009","131","","12544","12545","10.1021/ja905399x","","","0.71075","MoKα","","0.0276","0.0266","","","0.0697","0.0703","","","","","","1.047","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105001","7.124","0.006","12.634","0.009","12.164","0.007","90","","125.16","0.04","90","","895.1","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cu D14 N2 O14 Se2 -","- C6 H12 Cu D14 N2 O14 Se2 -","- C12 H24 Cu2 D28 N4 O28 Se4 -","2","0.5","","Wen Zhang; Li-Zhuang Chen; Ren-Gen Xiong; Takayoshi Nakamura; Songping D. Huang","New Ferroelectrics Based on Divalent Metal Ion Alum","Journal of the American Chemical Society","2009","131","","12544","12545","10.1021/ja905399x","","","0.71073","MoKα","","0.1065","0.0934","","","0.2147","0.2199","","","","","","1.185","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105002","10.541","0.0007","10.6705","0.0007","10.8608","0.0007","88.484","0.001","84.284","0.001","75.633","0.001","1177.51","0.13","85","2","85","2","","","","","","","","3","P 1","P 1","1","","","","- C28 H30 O4 -","- C28 H30 O4 -","- C56 H60 O8 -","2","2","","Natalie C. Giampietro; Jeff W. Kampf; John P. Wolfe","Asymmetric Tandem Wittig Rearrangement/Aldol Reactions","Journal of the American Chemical Society","2009","131","","12556","12557","10.1021/ja905930s","","","0.71073","MoKα","","0.0317","0.0305","","","0.078","0.079","","","","","","1.068","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105003","9.9225","0.0003","16.8851","0.0006","17.1254","0.0006","90","","90","","90","","2869.23","0.17","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 B N2 O6 -","- C37 H34 B N O2 -","- C148 H136 B4 N4 O8 -","4","1","","Shagufta H. Shabbir; Leo A. Joyce; Gabriella M. da Cruz; Vincent M. Lynch; Steven Sorey; Eric V. Anslyn","Pattern-Based Recognition for the Rapid Determination of Identity, Concentration, and Enantiomeric Excess of Subtly Different Threo Diols","Journal of the American Chemical Society","2009","131","","13125","13131","10.1021/ja904545d","","","0.7107","MoKα","","0.0787","0.0493","","","0.0732","0.0776","","","","","","1.399","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105004","11.1922","0.0006","7.8529","0.0004","19.6551","0.001","90","","103.138","0.003","90","","1682.29","0.15","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 Cl2 I N -","- C13 H24 Cl2 I N -","- C52 H96 Cl8 I4 N4 -","4","1","","Timothy J. Clark; Nicholas J. Robertson; Henry A. Kostalik IV; Emil B. Lobkovsky; Paul F. Mutolo; Héctor D. Abruña; Geoffrey W. Coates","A Ring-Opening Metathesis Polymerization Route to Alkaline Anion Exchange Membranes: Development of Hydroxide-Conducting Thin Films from an Ammonium-Functionalized Monomer","Journal of the American Chemical Society","2009","131","","12888","12889","10.1021/ja905242r","","","0.71073","MoKα","","0.0429","0.0322","","","0.0822","0.0893","","","","","","0.999","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105005","38.3466","0.0019","10.7833","0.0005","8.6147","0.0004","90","","100.953","0.001","90","","3497.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 N2 O4 S2 -","- C40 H50 N2 O4 S2 -","- C160 H200 N8 O16 S8 -","4","0.5","","Isaac Alonso; Beatriz Trillo; Fernando López; Sergi Montserrat; Gregori Ujaque; Luis Castedo; Agustí Lledós; Jose L. Mascareñas","Gold-Catalyzed [4C+2C] Cycloadditions of Allenedienes, including an Enantioselective Version with New Phosphoramidite-Based Catalysts: Mechanistic Aspects of the Divergence between [4C+3C] and [4C+2C] Pathways","Journal of the American Chemical Society","2009","131","","13020","13030","10.1021/ja905415r","","","0.71073","MoKα","","0.0469","0.0377","","","0.0957","0.1017","","","","","","0.827","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105006","10.1791","0.0002","21.9773","0.0005","8.8795","0.0002","90","","112.76","0.001","90","","1831.75","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N O2 S -","- C21 H27 N O2 S -","- C84 H108 N4 O8 S4 -","4","1","","Isaac Alonso; Beatriz Trillo; Fernando López; Sergi Montserrat; Gregori Ujaque; Luis Castedo; Agustí Lledós; Jose L. Mascareñas","Gold-Catalyzed [4C+2C] Cycloadditions of Allenedienes, including an Enantioselective Version with New Phosphoramidite-Based Catalysts: Mechanistic Aspects of the Divergence between [4C+3C] and [4C+2C] Pathways","Journal of the American Chemical Society","2009","131","","13020","13030","10.1021/ja905415r","","x-ray","0.7107","MoKα","","0.0489","0.0386","","","0.0937","0.0992","","","","","","1.031","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105007","13.2005","0.0006","16.7409","0.0009","5.9633","0.0003","90","","90","","90","","1317.82","0.11","100","2","100","2","","","","","","","synthesis as described","3","P n a 21","P 2c -2n","33","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Isaac Alonso; Beatriz Trillo; Fernando López; Sergi Montserrat; Gregori Ujaque; Luis Castedo; Agustí Lledós; Jose L. Mascareñas","Gold-Catalyzed [4C+2C] Cycloadditions of Allenedienes, including an Enantioselective Version with New Phosphoramidite-Based Catalysts: Mechanistic Aspects of the Divergence between [4C+3C] and [4C+2C] Pathways","Journal of the American Chemical Society","2009","131","","13020","13030","10.1021/ja905415r","","x-ray","0.71073","MoKα","","0.051","0.0432","","","0.1107","0.115","","","","","","1.07","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105008","8.2327","0.0003","10.0262","0.0003","20.8923","0.0006","90","","90","","90","","1724.51","0.1","446","2","120","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C72 H96 O20 -","4","1","","Isaac Alonso; Beatriz Trillo; Fernando López; Sergi Montserrat; Gregori Ujaque; Luis Castedo; Agustí Lledós; Jose L. Mascareñas","Gold-Catalyzed [4C+2C] Cycloadditions of Allenedienes, including an Enantioselective Version with New Phosphoramidite-Based Catalysts: Mechanistic Aspects of the Divergence between [4C+3C] and [4C+2C] Pathways","Journal of the American Chemical Society","2009","131","","13020","13030","10.1021/ja905415r","","x-ray","0.7107","MoKα","","0.0532","0.0468","","","0.1161","0.1196","","","","","","1.024","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105009","11.5779","0.0006","12.8146","0.0008","21.809","0.0014","90","","90","","90","","3235.7","0.3","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 S -","- C18 H23 N O2 S -","- C144 H184 N8 O16 S8 -","8","2","","Isaac Alonso; Beatriz Trillo; Fernando López; Sergi Montserrat; Gregori Ujaque; Luis Castedo; Agustí Lledós; Jose L. Mascareñas","Gold-Catalyzed [4C+2C] Cycloadditions of Allenedienes, including an Enantioselective Version with New Phosphoramidite-Based Catalysts: Mechanistic Aspects of the Divergence between [4C+3C] and [4C+2C] Pathways","Journal of the American Chemical Society","2009","131","","13020","13030","10.1021/ja905415r","","x-ray","0.71073","MoKα","","0.0653","0.0444","","","0.0934","0.1028","","","","","","1.031","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105010","14.8299","0.0013","10.5763","0.0008","24.935","0.002","90","","100.616","0.002","90","","3844","0.5","173.1","","","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C41 H104 Fe8 N8 S9 Si8 -","- C41 H104 Fe8 N8 S9 Si8 -","- C82 H208 Fe16 N16 S18 Si16 -","2","0.5","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0478","","","","0.1179","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105011","26.522","0.009","28.749","0.01","26.062","0.009","90","","90","","90","","19872","12","143.1","","","","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C66 H150 Fe8 N6 O3 S9 Si8 -","- C66 H131 Fe8 N6 O3 S9 Si8 -","- C528 H1048 Fe64 N48 O24 S72 Si64 -","8","","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0577","","","","0.1594","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105012","36.712","0.013","19.659","0.006","16.907","0.006","90","","112.008","0.006","90","","11313","7","143.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C76 H170 Fe8 N6 O4 S9 Si8 -","- C76 H136 Fe8 N6 O4 S9 Si8 -","- C304 H544 Fe32 N24 O16 S36 Si32 -","4","0.5","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0987","","","","0.2315","","","","","","0.952","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105013","26.503","0.012","29.012","0.014","26.224","0.012","90","","90","","90","","20164","16","173.1","","","","","","","","","","","8","A b a 2","A 2 -2ab","41","","","","- C62 H140 Cl2 Fe8 N6 O2.5 S9 Si8 -","- C62 H98 Cl2 Fe8 N6 O2.5 S9 Si8 -","- C496 H784 Cl16 Fe64 N48 O20 S72 Si64 -","8","","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0595","","","","0.1338","","","","","","1.274","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105014","26.201","0.002","28.989","0.002","26.46","0.002","90","","90","","90","","20097","3","173.1","","","","","","","","","","","8","A b a 2","A 2 -2ab","41","","","","- C64 H144 Br2 Fe8 N6 O3 S9 Si8 -","- C64 H80 Br2 Fe8 N6 O3 S9 Si8 -","- C512 H640 Br16 Fe64 N48 O24 S72 Si64 -","8","","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0649","","","","0.162","","","","","","2.217","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105015","17.948","0.005","21.637","0.005","27.944","0.007","90","","90","","90","","10852","5","143.1","","","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C70 H162 Fe8 N6 O3 S9 Si10 -","- C70 H122 Fe8 N6 O3 S9 Si10 -","- C280 H488 Fe32 N24 O12 S36 Si40 -","4","0.5","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0749","","","","0.2267","","","","","","1.182","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105016","14.1787","0.0014","21.225","0.002","24.581","0.002","90","","90","","90","","7397.5","1.2","173.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H92 Fe10 N4 S9 Si8 -","- C46 H92 Fe10 N4 S9 Si8 -","- C184 H368 Fe40 N16 S36 Si32 -","4","1","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0321","","","","0.0728","","","","","","0.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105017","19.453","0.01","21.971","0.007","20.098","0.008","90","","93.707","0.015","90","","8572","6","173.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H116 Fe8 N6 S11 Si8 -","- C52 H116 Fe8 N6 S11 Si8 -","- C208 H464 Fe32 N24 S44 Si32 -","4","1","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0494","","","","0.1573","","","","","","0.92","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105018","19.752","0.003","26.317","0.004","21.924","0.003","90","","115.575","0.0019","90","","10280","3","143.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H131 Fe8 N5 S11 Si10 -","- C61 H90 Fe8 N5 S11 Si10 -","- C244 H360 Fe32 N20 S44 Si40 -","4","1","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0962","","","","0.2282","","","","","","0.807","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105019","24.966","0.003","23.633","0.002","26.912","0.003","90","","98.348","0.0016","90","","15710","3","173.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C100 H147 Fe10 N2 S11 Si16 -","- C100 H147 Fe10 N2 S11 Si16 -","- C400 H588 Fe40 N8 S44 Si64 -","4","1","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.1175","","","","0.2945","","","","","","1.715","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105020","24.951","0.003","37.46","0.005","10.6579","0.0015","90","","90","","90","","9962","2","173.1","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C72 H60 Fe4 P2 S8 -","- C72 H60 Fe4 P2 S8 -","- C432 H360 Fe24 P12 S48 -","6","1.5","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0343","","","","0.0607","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105021","8.6381","0.0003","15.3135","0.0005","18.1475","0.0006","90","","98.067","0.002","90","","2376.79","0.14","293","","293","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 F6 N2 O2 P Ru S -","- C20 H31 F6 N2 O2 P Ru S -","- C80 H124 F24 N8 O8 P4 Ru4 S4 -","4","1","","Thamayanthy Sriskandakumar; Holm Petzold; Pieter C. A. Bruijnincx; Abraha Habtemariam; Peter J. Sadler; Pierre Kennepohl","Influence of Oxygenation on the Reactivity of Ruthenium-Thiolato Bonds in Arene Anticancer Complexes: Insights from XAS and DFT","Journal of the American Chemical Society","2009","131","","13355","13361","10.1021/ja903405z","","","0.71073","MoKα","","0.0495","0.0382","","0.0976","0.092","0.0976","","","","","","0.9501","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105022","9.9232","0.0005","10.3821","0.0005","18.0076","0.0008","95.565","0.001","96.44","0.001","110.951","0.001","1702.73","0.14","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H50 B F4 Ir N3 P -","- C33 H50 B F4 Ir N3 P -","- C66 H100 B2 F8 Ir2 N6 P2 -","2","1","","Kevin D. Atkinson; Michael J. Cowley; Paul I. P. Elliott; Simon B. Duckett; Gary G. R. Green; Joaquín López-Serrano; Adrian C. Whitwood","Spontaneous Transfer of Parahydrogen Derived Spin Order to Pyridine at Low Magnetic Field","Journal of the American Chemical Society","2009","131","","13362","13368","10.1021/ja903601p","","","0.71073","MoKα","","0.0237","0.0211","","","0.0478","0.0488","","","","","","1.011","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105023","8.289","0.0003","21.1559","0.0007","10.7607","0.0004","90","","100.36","0.002","90","","1856.25","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 O4 -","- C21 H30 O4 -","- C84 H120 O16 -","4","1","","Catherine Hulot; Shadi Amiri; Gaëlle Blond; Peter R. Schreiner; Jean Suffert","Understanding the Torquoselectivity in 8π-Electrocyclic Cascade Reactions: Synthesis of Fenestradienes versus Cyclooctatrienes","Journal of the American Chemical Society","2009","131","","13387","13398","10.1021/ja903914r","","","0.71073","MoKα","","0.0687","0.0444","","","0.0995","0.1097","","","","","","1.023","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105024","8.1351","0.0002","21.0319","0.001","10.6795","0.0005","90","","98.594","0.002","90","","1806.71","0.13","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Catherine Hulot; Shadi Amiri; Gaëlle Blond; Peter R. Schreiner; Jean Suffert","Understanding the Torquoselectivity in 8π-Electrocyclic Cascade Reactions: Synthesis of Fenestradienes versus Cyclooctatrienes","Journal of the American Chemical Society","2009","131","","13387","13398","10.1021/ja903914r","","","0.71073","MoKα","","0.0959","0.0523","","","0.1314","0.1645","","","","","","1.015","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105025","8.7956","0.0014","20.014","0.003","23.863","0.004","90","","90","","90","","4200.7","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Sublimed clarithromycin","","","- C38 H69 N O13 -","- C38 H69 N O13 -","- C152 H276 N4 O52 -","4","1","","Jian Tian; Praveen K. Thallapally; Scott J. Dalgarno; Jerry L. Atwood","Free Transport of Water and CO2 in Nonporous Hydrophobic Clarithromycin Form II Crystals","Journal of the American Chemical Society","2009","131","","13216","13217","10.1021/ja904658p","","","0.71073","MoKα","","0.1031","0.0616","","","0.11","0.1226","","","","","","1.043","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105026","8.7891","0.0011","20.012","0.003","23.857","0.003","90","","90","","90","","4196.1","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Clarithromycin hemihydrate","","","- C38 H69 N O13.5 -","- C38 H69 N O13.5 -","- C152 H276 N4 O54 -","4","1","","Jian Tian; Praveen K. Thallapally; Scott J. Dalgarno; Jerry L. Atwood","Free Transport of Water and CO2 in Nonporous Hydrophobic Clarithromycin Form II Crystals","Journal of the American Chemical Society","2009","131","","13216","13217","10.1021/ja904658p","","","0.71073","MoKα","","0.0968","0.0505","","","0.093","0.1071","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105027","11.8029","0.0001","16.4042","0.0001","20.8175","0.0002","90","","96.7501","0.0003","90","","4002.69","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H58 Ir N2 P -","- C44 H58 Ir N2 P -","- C176 H232 Ir4 N8 P4 -","4","1","","Halil Aktas; Jos Mulder; Frans J. J. de Kanter; J. Chris Slootweg; Marius Schakel; Andreas W. Ehlers; Martin Lutz; Anthony L. Spek; Koop Lammertsma","Iridium Phosphinidene Complexes: A Comparison with Iridium Imido Complexes in Their Reaction with Isocyanides","Journal of the American Chemical Society","2009","131","","13531","13537","10.1021/ja9048509","","","0.71073","MoKα","","0.0334","0.0222","","","0.0426","0.0455","","","","","","1.043","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105028","14.3239","0.0004","16.0921","0.0004","21.5079","0.0007","90","","122.067","0.001","90","","4201.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H62 Ir N2 P -","- C46 H62 Ir N2 P -","- C184 H248 Ir4 N8 P4 -","4","1","","Halil Aktas; Jos Mulder; Frans J. J. de Kanter; J. Chris Slootweg; Marius Schakel; Andreas W. Ehlers; Martin Lutz; Anthony L. Spek; Koop Lammertsma","Iridium Phosphinidene Complexes: A Comparison with Iridium Imido Complexes in Their Reaction with Isocyanides","Journal of the American Chemical Society","2009","131","","13531","13537","10.1021/ja9048509","","","0.71073","MoKα","","0.0313","0.0187","","","0.0358","0.0391","","","","","","1.043","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105029","11.8147","0.0002","14.3753","0.0004","20.8906","0.0004","90","","113.837","0.002","90","","3245.4","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H44 Ir N2 P -","- C37 H44 Ir N2 P -","- C148 H176 Ir4 N8 P4 -","4","1","","Halil Aktas; Jos Mulder; Frans J. J. de Kanter; J. Chris Slootweg; Marius Schakel; Andreas W. Ehlers; Martin Lutz; Anthony L. Spek; Koop Lammertsma","Iridium Phosphinidene Complexes: A Comparison with Iridium Imido Complexes in Their Reaction with Isocyanides","Journal of the American Chemical Society","2009","131","","13531","13537","10.1021/ja9048509","","","0.71073","MoKα","","0.0277","0.0193","","","0.0389","0.0412","","","","","","1.053","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105030","8.0818","0.0007","17.0067","0.0014","21.3708","0.0018","90","","98.717","0.002","90","","2903.4","0.4","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","jonme05, 2-Cl","Tp'Rh(CNR)(C6F5)Cl","","- C27 H33 B Cl F5 N7 Rh -","- C27 H33 B Cl F5 N7 Rh -","- C108 H132 B4 Cl4 F20 N28 Rh4 -","4","1","","Meagan E. Evans; Catherine L. Burke; Sornanong Yaibuathes; Eric Clot; Odile Eisenstein; William D. Jones","Energetics of C-H Bond Activation of Fluorinated Aromatic Hydrocarbons Using a [Tp'Rh(CNneopentyl)] Complex","Journal of the American Chemical Society","2009","131","","13464","13473","10.1021/ja905057w","","","0.71073","MoKα","","0.1127","0.0601","","","0.1388","0.1649","","","","","","1.06","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105031","6.7107","0.0017","9.115","0.002","8.674","0.002","90","0.008","96.851","0.003","90","0.006","526.8","0.2","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- As F9 O Xe3 -","- As F9 O Xe3 -","- As2 F18 O2 Xe6 -","2","1","","Michael Gerken; Matthew D. Moran; Hélène P. A. Mercier; Bernard E. Pointner; Gary J. Schrobilgen; Berthold Hoge; Karl O. Christe; Jerry A. Boatz","On the XeF+/H2O System: Synthesis and Characterization of the Xenon(II) Oxide Fluoride Cation, FXeOXeFXeF+","Journal of the American Chemical Society","2009","131","","13474","13489","10.1021/ja905060v","","","0.71073","MoKα","","0.0501","0.046","","","0.1272","0.1311","","","","","","1.03","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105032","6.6872","0.001","9.3056","0.0017","8.8219","0.0016","90","","96.784","0.005","90","","545.13","0.16","148","2","148","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- F9 O Sb Xe3 -","- F9 O Sb Xe3 -","- F18 O2 Sb2 Xe6 -","2","0.5","","Michael Gerken; Matthew D. Moran; Hélène P. A. Mercier; Bernard E. Pointner; Gary J. Schrobilgen; Berthold Hoge; Karl O. Christe; Jerry A. Boatz","On the XeF+/H2O System: Synthesis and Characterization of the Xenon(II) Oxide Fluoride Cation, FXeOXeFXeF+","Journal of the American Chemical Society","2009","131","","13474","13489","10.1021/ja905060v","","","0.71073","MoKα","","0.0639","0.0419","","","0.0836","0.0896","","","","","","1.129","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105033","8.715","0.004","8.715","0.004","12.989","0.009","90","","90","","90","","986.5","0.9","100","2","100","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- As F10 H3 O Xe2 -","- As F10 O Xe2 -","- As4 F40 O4 Xe8 -","4","0.125","","Michael Gerken; Matthew D. Moran; Hélène P. A. Mercier; Bernard E. Pointner; Gary J. Schrobilgen; Berthold Hoge; Karl O. Christe; Jerry A. Boatz","On the XeF+/H2O System: Synthesis and Characterization of the Xenon(II) Oxide Fluoride Cation, FXeOXeFXeF+","Journal of the American Chemical Society","2009","131","","13474","13489","10.1021/ja905060v","","","0.71073","MoKα","","0.0673","0.021","","","0.0523","0.0587","","","","","","0.885","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105034","12.3099","0.0019","13.943","0.002","16.083","0.003","89.444","0.004","88.652","0.005","89.4746","0.001","2759.4","0.8","120","","120","","","","","","","","","4","P -1","-P 1","2","","(E)-1,2-bis(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)- 2-phenyl-phosphasilene","","- C62 H95 P Si -","- C62 H95 P Si -","- C124 H190 P2 Si2 -","2","1","","Baolin Li; Tsukasa Matsuo; Daisuke Hashizume; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","π-Conjugated Phosphasilenes Stabilized by Fused-Ring Bulky Groups","Journal of the American Chemical Society","2009","131","","13222","13223","10.1021/ja9051153","","","0.71073","MoKα","","0.068","0.0521","","","0.1249","0.1363","","","","","","1.112","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105035","11.762","0.004","16.793","0.006","17.517","0.006","114.21","0.007","90.569","0.004","94.77","0.003","3141","1.9","100","","100","","","","","","","","","4","P -1","-P 1","2","","(E)-1,2-bis(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)-2- (2-naphtyl)phosphasilene toluene solvate","","- C73 H105 P Si -","- C73 H105 P Si -","- C146 H210 P2 Si2 -","2","1","","Baolin Li; Tsukasa Matsuo; Daisuke Hashizume; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","π-Conjugated Phosphasilenes Stabilized by Fused-Ring Bulky Groups","Journal of the American Chemical Society","2009","131","","13222","13223","10.1021/ja9051153","","","0.71073","MoKα","","0.1354","0.0784","","","0.1888","0.2391","","","","","","1.037","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105036","13.7835","0.0003","14.4694","0.0004","16.12","0.0005","92.9717","0.0015","94.968","0.0011","101.214","0.0011","3133.96","0.15","90","","90","","","","","","","","","5","P -1","-P 1","2","","(E)-1,2-bis(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)- 2-(2- anthryl)phosphasilene tetrahydrofuran solvate","","- C74 H107 O P Si -","- C74 H107 O P Si -","- C148 H214 O2 P2 Si2 -","2","1","","Baolin Li; Tsukasa Matsuo; Daisuke Hashizume; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","π-Conjugated Phosphasilenes Stabilized by Fused-Ring Bulky Groups","Journal of the American Chemical Society","2009","131","","13222","13223","10.1021/ja9051153","","","0.71073","MoKα","","0.0918","0.0671","","","0.1868","0.2117","","","","","","1.046","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105037","11.7071","0.0002","15.0538","0.0003","16.0803","0.0003","86.597","0.001","84.328","0.001","68.35","0.001","2620.31","0.09","140","","140","","","","","","","","","4","P -1","-P 1","2","","1,4-bis{(E)-1,2-bis(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)- phosphasileneyl}benzene","","- C118 H184 P2 Si2 -","- C118.128 H184.256 P2 Si2 -","- C118.128 H184.256 P2 Si2 -","1","0.5","","Baolin Li; Tsukasa Matsuo; Daisuke Hashizume; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","π-Conjugated Phosphasilenes Stabilized by Fused-Ring Bulky Groups","Journal of the American Chemical Society","2009","131","","13222","13223","10.1021/ja9051153","","","1.54184","CuKα","","0.0822","0.0556","","","0.1292","0.1518","","","","","","1.107","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105038","5.5391","0.0008","10.8776","0.0015","29.488","0.004","90","","90","","90","","1776.7","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br N2 O3 -","- C21 H19 Br N2 O3 -","- C84 H76 Br4 N8 O12 -","4","1","","Sandip Murarka; Indubhusan Deb; Chen Zhang; Daniel Seidel","Catalytic Enantioselective Intramolecular Redox Reactions: Ring-Fused Tetrahydroquinolines","Journal of the American Chemical Society","2009","131","","13226","13227","10.1021/ja905213f","","","0.71073","MoKα","","0.0436","0.0365","","","0.08","0.0825","","","","","","1.005","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105039","8.1447","0.0001","10.1427","0.0002","21.4366","0.0003","90","","90","","90","","1770.86","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Sandip Murarka; Indubhusan Deb; Chen Zhang; Daniel Seidel","Catalytic Enantioselective Intramolecular Redox Reactions: Ring-Fused Tetrahydroquinolines","Journal of the American Chemical Society","2009","131","","13226","13227","10.1021/ja905213f","","","1.54178","CuKα","","0.0359","0.0346","","","0.0803","0.0812","","","","","","1.006","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105040","3.58191","0.00023","3.58191","","3.58191","","90","","90","","90","","45.956","0.003","180","","","","","","","","","","Part of sample environment","1","F m -3 m","-F 4 2 3","225","copper","","","- Cu -","- Cu -","- Cu4 -","4","0.0208333","","Fortes, A. Dominic; Suard, Emmanuelle; Lemée-Cailleau, Marie-Hélène; Pickard, Christopher J.; Needs, Richard J.","Crystal Structure of Ammonia Monohydrate Phase II","Journal of the American Chemical Society","2009","131","37","13508","13515","10.1021/ja9052569","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","181961","2020-10-21","18:00:00",""
"4105041","18.8285","0.0004","6.94145","0.00016","6.84492","0.00016","90","","90","","90","","894.61","0.03","180","","","","","","","","","","Aldrich Chemical Co. ND3 + D2O","3","P b c a","-P 2ac 2ab","61","ammonia monohydrate","","","- D5 N O -","- D5 N O -","- D80 N16 O16 -","16","2","","Fortes, A. Dominic; Suard, Emmanuelle; Lemée-Cailleau, Marie-Hélène; Pickard, Christopher J.; Needs, Richard J.","Crystal Structure of Ammonia Monohydrate Phase II","Journal of the American Chemical Society","2009","131","37","13508","13515","10.1021/ja9052569","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","181961","2020-10-21","18:00:00",""
"4105042","10.2466","0.0007","12.5796","0.001","17.5498","0.0015","73.99","0.003","77.861","0.003","82.878","0.003","2120.5","0.3","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H53 Cl2 Cu F6 N4 P Ru -","- C43 H51 Cl2 Cu F6 N4 P Ru -","- C86 H102 Cl4 Cu2 F12 N8 P2 Ru2 -","2","1","","Luciano Cuesta; Elizabeth Karnas; Vincent M. Lynch; Ping Chen; Jing Shen; Karl M. Kadish; Kei Ohkubo; Shunichi Fukuzumi; Jonathan L. Sessler","Metalloporphycenes: Synthesis and Characterization of (Pentamethylcyclopentadienyl)ruthenium Sitting-Atop and π-Complexes","Journal of the American Chemical Society","2009","131","","13538","13547","10.1021/ja905284d","","","0.71069","MoKα","","0.1099","0.0565","","","0.0987","0.1178","","","","","","1.029","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105043","10.214","0.0002","12.587","0.0003","17.542","0.0004","73.766","0.001","78.165","0.001","82.81","0.001","2113.78","0.08","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H53 Cl2 F6 N4 Ni P Ru -","- C43 H53 Cl2 F6 N4 Ni P Ru -","- C86 H106 Cl4 F12 N8 Ni2 P2 Ru2 -","2","1","","Luciano Cuesta; Elizabeth Karnas; Vincent M. Lynch; Ping Chen; Jing Shen; Karl M. Kadish; Kei Ohkubo; Shunichi Fukuzumi; Jonathan L. Sessler","Metalloporphycenes: Synthesis and Characterization of (Pentamethylcyclopentadienyl)ruthenium Sitting-Atop and π-Complexes","Journal of the American Chemical Society","2009","131","","13538","13547","10.1021/ja905284d","","","0.7107","MoKα","","0.0929","0.0545","","","0.0988","0.1103","","","","","","1.087","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105044","21.737","0.002","25.642","0.002","13.8213","0.0012","90","","90.525","0.005","90","","7703.4","1.1","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H51 F6 N4 P Ru -","- C42 H51 F6 N4 P Ru -","- C336 H408 F48 N32 P8 Ru8 -","8","2","","Luciano Cuesta; Elizabeth Karnas; Vincent M. Lynch; Ping Chen; Jing Shen; Karl M. Kadish; Kei Ohkubo; Shunichi Fukuzumi; Jonathan L. Sessler","Metalloporphycenes: Synthesis and Characterization of (Pentamethylcyclopentadienyl)ruthenium Sitting-Atop and π-Complexes","Journal of the American Chemical Society","2009","131","","13538","13547","10.1021/ja905284d","","","0.7107","MoKα","","0.2232","0.102","","","0.1658","0.2088","","","","","","1.232","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105045","12.3036","0.0006","29.362","0.002","11.8233","0.0007","90","","93.983","0.002","90","","4260.9","0.4","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H59 F6 N4 P Ru -","- C46 H59 F6 N4 P Ru -","- C184 H236 F24 N16 P4 Ru4 -","4","1","","Luciano Cuesta; Elizabeth Karnas; Vincent M. Lynch; Ping Chen; Jing Shen; Karl M. Kadish; Kei Ohkubo; Shunichi Fukuzumi; Jonathan L. Sessler","Metalloporphycenes: Synthesis and Characterization of (Pentamethylcyclopentadienyl)ruthenium Sitting-Atop and π-Complexes","Journal of the American Chemical Society","2009","131","","13538","13547","10.1021/ja905284d","","","0.7107","MoKα","","0.1102","0.0619","","","0.1085","0.1267","","","","","","1.121","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105046","9.3808","0.0014","9.3808","0.0014","15.8006","0.0014","90","","90","","120","","1204.2","0.3","100","2","100","2","","","","","","","","6","P 63","P 6c","173","{NH(prol)3}[MnCr(ox)3](H2O)2","{NH(prol)3}[MnCr(ox)3](H2O)2","","- C15 H26 Cr Mn N O17 -","- C15 Cr Mn N O16.99 -","- C30 Cr2 Mn2 N2 O33.98 -","2","0.333333","","Hisashi Ōkawa; Akihito Shigematsu; Masaaki Sadakiyo; Takuya Miyagawa; Ko Yoneda; Masaaki Ohba; Hiroshi Kitagawa","Oxalate-Bridged Bimetallic Complexes {NH(prol)3}[MCr(ox)3] (M = MnII, FeII, CoII; NH(prol)3+= Tri(3-hydroxypropyl)ammonium) Exhibiting Coexistent Ferromagnetism and Proton Conduction","Journal of the American Chemical Society","2009","131","","13516","13522","10.1021/ja905368d","","","0.71069","MoKα","","0.0841","0.0805","","","0.219","0.2283","","","","","","1.215","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105047","19.615","0.002","16.4013","0.0016","17.4466","0.0018","90","","99.925","0.002","90","","5528.8","1","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H51 N O5 -","- C24 H51 N O5 -","- C192 H408 N8 O40 -","8","2","","Charles L. Perrin; Jonathan S. Lau; Yeong-Joon Kim; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold","Asymmetry of the ""Strongest"" OHO Hydrogen Bond, in the Monoanion of (\±)-α,α'-Di-tert-butylsuccinate","Journal of the American Chemical Society","2009","131","","13548","13554","10.1021/ja905806h","","","0.71073","MoKα","","0.1256","0.0649","","","0.1627","0.1958","","","","","","1.034","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105048","13.095","0.001","13.9148","0.001","16.7377","0.0012","90","","96.29","0.001","90","","3031.5","0.4","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C28 H57 N O4 -","- C28 H57 N O4 -","- C112 H228 N4 O16 -","4","2","","Charles L. Perrin; Jonathan S. Lau; Yeong-Joon Kim; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold","Asymmetry of the ""Strongest"" OHO Hydrogen Bond, in the Monoanion of (\±)-α,α'-Di-tert-butylsuccinate","Journal of the American Chemical Society","2009","131","","13548","13554","10.1021/ja905806h","","","0.71073","MoKα","","0.082","0.0678","","","0.1718","0.1852","","","","","","1.027","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105049","13.0862","0.0011","15.4546","0.0013","15.2946","0.0013","90","","96.136","0.001","90","","3075.5","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H57 O4 P -","- C28 H57 O4 P -","- C112 H228 O16 P4 -","4","1","","Charles L. Perrin; Jonathan S. Lau; Yeong-Joon Kim; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold","Asymmetry of the ""Strongest"" OHO Hydrogen Bond, in the Monoanion of (\±)-α,α'-Di-tert-butylsuccinate","Journal of the American Chemical Society","2009","131","","13548","13554","10.1021/ja905806h","","","0.71073","MoKα","","0.1566","0.1038","","","0.2888","0.339","","","","","","1.051","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105050","6.3954","0.0007","31.99","0.003","16.2225","0.0017","90","","97.99","0.004","90","","3286.7","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H56 Mg O15 -","- C24 H56 Mg O15 -","- C96 H224 Mg4 O60 -","4","1","","Charles L. Perrin; Jonathan S. Lau; Yeong-Joon Kim; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold","Asymmetry of the ""Strongest"" OHO Hydrogen Bond, in the Monoanion of (\±)-α,α'-Di-tert-butylsuccinate","Journal of the American Chemical Society","2009","131","","13548","13554","10.1021/ja905806h","","","1.54178","CuKα","","0.0447","0.0437","","","0.1064","0.1074","","","","","","1.057","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105051","6.4772","0.0006","14.4843","0.0013","17.5838","0.0015","90","","92.39","0.002","90","","1648.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 Ca O14 -","- C24 H54 Ca O14 -","- C48 H108 Ca2 O28 -","2","0.5","","Charles L. Perrin; Jonathan S. Lau; Yeong-Joon Kim; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold","Asymmetry of the ""Strongest"" OHO Hydrogen Bond, in the Monoanion of (\±)-α,α'-Di-tert-butylsuccinate","Journal of the American Chemical Society","2009","131","","13548","13554","10.1021/ja905806h","","","0.71073","MoKα","","0.0496","0.0429","","","0.0949","0.0979","","","","","","1.038","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105052","12.6808","0.0007","16.7088","0.0008","15.3231","0.0007","90","","103.387","0.003","90","","3158.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 Cs2 O11 -","- C24 H48 Cs2 O11 -","- C96 H192 Cs8 O44 -","4","1","","Charles L. Perrin; Jonathan S. Lau; Yeong-Joon Kim; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold","Asymmetry of the ""Strongest"" OHO Hydrogen Bond, in the Monoanion of (\±)-α,α'-Di-tert-butylsuccinate","Journal of the American Chemical Society","2009","131","","13548","13554","10.1021/ja905806h","","","1.54184","CuKα","","0.0516","0.0433","","","0.1059","0.1108","","","","","","1.051","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105053","35.5649","0.0015","7.5143","0.0003","10.3977","0.0004","90","","106.706","0.003","90","","2661.45","0.19","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 O4 -","- C12 H22 O4 -","- C96 H176 O32 -","8","1","","Charles L. Perrin; Jonathan S. Lau; Yeong-Joon Kim; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold","Asymmetry of the ""Strongest"" OHO Hydrogen Bond, in the Monoanion of (\±)-α,α'-Di-tert-butylsuccinate","Journal of the American Chemical Society","2009","131","","13548","13554","10.1021/ja905806h","","","1.54178","CuKα","","0.0771","0.0705","","","0.1699","0.1729","","","","","","1.092","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105054","10.083","0.001","7.536","0.001","24.344","0.003","90","","91.43","0.002","90","","1849.2","0.4","146.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Br N O3 -","- C20 H24 Br N O3 -","- C80 H96 Br4 N4 O12 -","4","1","","Kimberly K. Larson; Richmond Sarpong","Total Synthesis of Alkaloid (\±)-G. B. 13 Using a Rh(I)-Catalyzed Ketone Hydroarylation and Late-Stage Pyridine Reduction","Journal of the American Chemical Society","2009","131","","13244","13245","10.1021/ja9063487","","","0.7107","MoKα","","0.0537","0.0308","","0.0414","","0.0366","","","","","","1.404","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105055","9.382","0.004","10.224","0.004","13.076","0.005","93.713","0.006","93.174","0.006","90.627","0.006","1249.6","0.9","156","2","293","2","","","","","","","","5","P 1","P 1","1","KLVII-033B","","","- C27 H29 Br N2 O6 -","- C27 H29 Br N2 O6 -","- C54 H58 Br2 N4 O12 -","2","2","","Kimberly K. Larson; Richmond Sarpong","Total Synthesis of Alkaloid (\±)-G. B. 13 Using a Rh(I)-Catalyzed Ketone Hydroarylation and Late-Stage Pyridine Reduction","Journal of the American Chemical Society","2009","131","","13244","13245","10.1021/ja9063487","","","0.71073","MoKα","","0.0495","0.0366","","","0.0884","0.0946","","","","","","1.055","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105056","9.6866","0.0005","10.8284","0.0005","35.0668","0.0018","90","","93.727","0.001","90","","3670.4","0.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C8H14[OSSO]H2","C8H14[OSSO]H2","","- C38 H60 O2 S2 -","- C38 H60 O2 S2 -","- C152 H240 O8 S8 -","4","1","","Akihiko Ishii; Tomoyuki Toda; Norio Nakata; Tsukasa Matsuo","Zirconium Complex of an [OSSO]-Type Diphenolate Ligand Bearing trans-1,2-Cyclooctanediylbis(thio) Core: Synthesis, Structure, and Isospecific 1-Hexene Polymerization","Journal of the American Chemical Society","2009","131","","13566","13567","10.1021/ja903369q","","","0.71073","MoKα","","0.0946","0.0605","","","0.1299","0.1475","","","","","","1.031","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105057","43.41","0.002","10.5617","0.0005","22.0673","0.0011","90","","109.356","0.001","90","","9545.6","0.8","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","C8H14[OSSO]Zr(CH2Ph)2","C8H14[OSSO]Zr(CH2Ph)2","","- C52 H72 O2 S2 Zr -","- C52 H72 O2 S2 Zr -","- C416 H576 O16 S16 Zr8 -","8","1","","Akihiko Ishii; Tomoyuki Toda; Norio Nakata; Tsukasa Matsuo","Zirconium Complex of an [OSSO]-Type Diphenolate Ligand Bearing trans-1,2-Cyclooctanediylbis(thio) Core: Synthesis, Structure, and Isospecific 1-Hexene Polymerization","Journal of the American Chemical Society","2009","131","","13566","13567","10.1021/ja903369q","","","0.71073","MoKα","","0.0607","0.0447","","","0.1025","0.111","","","","","","1.018","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105058","9.7254","0.0009","11.3862","0.0011","22.736","0.002","92.369","0.002","96.916","0.002","97.929","0.002","2471.2","0.4","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H47 B2 Cl P2 -","- C20 H47 B2 Cl P2 -","- C80 H188 B8 Cl4 P8 -","4","2","","Gad Fuks; Nathalie Saffon; Laurent Maron; Guy Bertrand; Didier Bourissou","Ionic-Type Reactivity of 1,3-Dibora-2,4-diphosphoniocyclobutane-1,3-diyls: Regio- and Stereoselective Addition of Hydracids","Journal of the American Chemical Society","2009","131","","13681","13689","10.1021/ja903746p","","","0.71073","MoKα","","0.1035","0.0589","","","0.1283","0.1462","","","","","","1.008","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4105059","13.1771","0.001","14.2465","0.0011","14.621","0.0011","67.428","0.001","88.668","0.001","87.489","0.001","2532","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H86 B4 Cl2 P4 -","- C44 H86 B4 Cl2 P4 -","- C88 H172 B8 Cl4 P8 -","2","1","","Gad Fuks; Nathalie Saffon; Laurent Maron; Guy Bertrand; Didier Bourissou","Ionic-Type Reactivity of 1,3-Dibora-2,4-diphosphoniocyclobutane-1,3-diyls: Regio- and Stereoselective Addition of Hydracids","Journal of the American Chemical Society","2009","131","","13681","13689","10.1021/ja903746p","","","0.71073","MoKα","","0.0552","0.037","","","0.0864","0.0963","","","","","","1.01","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4105060","32.3223","0.001","11.0928","0.0004","19.4956","0.0006","90","","114.759","0.002","90","","6347.5","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25.5 H49 B2 F3 O3 P2 S -","- C25.5 H49 B2 F3 O3 P2 S -","- C204 H392 B16 F24 O24 P16 S8 -","8","1","","Gad Fuks; Nathalie Saffon; Laurent Maron; Guy Bertrand; Didier Bourissou","Ionic-Type Reactivity of 1,3-Dibora-2,4-diphosphoniocyclobutane-1,3-diyls: Regio- and Stereoselective Addition of Hydracids","Journal of the American Chemical Society","2009","131","","13681","13689","10.1021/ja903746p","","","0.71073","MoKα","","0.1118","0.0483","","","0.106","0.1314","","","","","","0.943","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4105061","11.5692","0.0007","16.1596","0.001","15.8662","0.001","90","","108.836","0.001","90","","2807.4","0.3","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C21 H47 B2 F3 O3 P2 S -","- C21 H47 B2 F3 O3 P2 S -","- C84 H188 B8 F12 O12 P8 S4 -","4","1","","Gad Fuks; Nathalie Saffon; Laurent Maron; Guy Bertrand; Didier Bourissou","Ionic-Type Reactivity of 1,3-Dibora-2,4-diphosphoniocyclobutane-1,3-diyls: Regio- and Stereoselective Addition of Hydracids","Journal of the American Chemical Society","2009","131","","13681","13689","10.1021/ja903746p","","","0.71073","MoKα","","0.0344","0.0313","","","0.0777","0.0798","","","","","","1.039","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4105062","3.7268","0.0004","11.8446","0.0011","19.9373","0.0017","90","","93.941","0.004","90","","878","0.15","293","2","293","2","","","","","","","synthesised by authors, see text","5","P 1 21/c 1","-P 2ybc","14","","catena-{(μ3-cyanobenzoate-1κN:2κO:3κO) silver(I)} hydrate","","- C8 H6 Ag N O3 -","- C8 H4 Ag N O3 -","- C32 H16 Ag4 N4 O12 -","4","1","","Ming-Sheng Wang; Sheng-Ping Guo; Yan Li; Li-Zhen Cai; Jian-Ping Zou; Gang Xu; Wei-Wei Zhou; Fa-Kun Zheng; Guo-Cong Guo","A Direct White-Light-Emitting Metal-Organic Framework with Tunable Yellow-to-White Photoluminescence by Variation of Excitation Light","Journal of the American Chemical Society","2009","131","","13572","13573","10.1021/ja903947b","","","0.71073","MoKα","","0.0525","0.0441","","","0.1146","0.1222","","","","","","1.135","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105063","8.241","0.002","8.241","","22.545","0.006","90","","90","","120","","1326","0.5","273","2","273","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","Dimethylammoniumironformate","","","- C15 H27 Fe3 N2.97 O18 -","- C15 H27 Fe3 N2.97 O18 -","- C30 H54 Fe6 N5.94 O36 -","2","0.0555556","","Prashant Jain; Vasanth Ramachandran; Ronald J. Clark; Hai Dong Zhou; Brian H. Toby; Naresh S. Dalal; Harold W. Kroto; Anthony K. Cheetham","Multiferroic Behavior Associated with an Order-Disorder Hydrogen Bonding Transition in Metal-Organic Frameworks (MOFs) with the Perovskite ABX3 Architecture","Journal of the American Chemical Society","2009","131","","13625","13627","10.1021/ja904156s","","","0.71073","MoKα","","0.0561","0.0403","","","0.0883","0.093","","","","","","1.074","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105064","11.8137","0.0008","15.5303","0.0011","16.3912","0.0015","90","","90","","90","","3007.3","0.4","190","0.3","190","0.3","","","","","","","","6","P 1","P 1","1","","","","- C51 H36 N2 O8 Si Zn2 -","- C51 H36 N2 O8 Si Zn2 -","- C51 H36 N2 O8 Si Zn2 -","1","1","","Tendai Gadzikwa; Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp; SonBinh T. Nguyen","Selective Bifunctional Modification of a Non-catenated Metal-Organic Framework Material via ""Click"" Chemistry","Journal of the American Chemical Society","2009","131","","13613","13615","10.1021/ja904189d","","","0.71073","MoKα","","0.0894","0.0696","","","0.166","0.1767","","","","","","0.935","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105065","16.4174","0.001","12.8384","0.0008","17.5249","0.0011","90","","90.174","0.001","90","","3693.8","0.4","153","2","153","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C34 H54 Ga Si3 U -","- C34 H54 Ga Si3 U -","- C136 H216 Ga4 Si12 U4 -","4","2","","Stefan G. Minasian; Jamin L. Krinsky; Jeffrey D. Rinehart; Roy Copping; Tolek Tyliszczak; Markus Janousch; David K. Shuh; John Arnold","A Comparison of 4f vs 5f Metal-Metal Bonds in (CpSiMe3)3M-ECp* (M = Nd, U; E = Al, Ga; Cp* = C5Me5): Synthesis, Thermodynamics, Magnetism, and Electronic Structure","Journal of the American Chemical Society","2009","131","","13767","13783","10.1021/ja904565j","","","0.71073","MoKα","","0.0516","0.0419","","","0.0774","0.082","","","","","","0.997","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105066","8.3245","0.0005","22.2396","0.0012","28.9822","0.0016","90","","90","","90","","5365.6","0.5","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Nd Si3 -","- C24 H39 Nd Si3 -","- C192 H312 Nd8 Si24 -","8","1","","Stefan G. Minasian; Jamin L. Krinsky; Jeffrey D. Rinehart; Roy Copping; Tolek Tyliszczak; Markus Janousch; David K. Shuh; John Arnold","A Comparison of 4f vs 5f Metal-Metal Bonds in (CpSiMe3)3M-ECp* (M = Nd, U; E = Al, Ga; Cp* = C5Me5): Synthesis, Thermodynamics, Magnetism, and Electronic Structure","Journal of the American Chemical Society","2009","131","","13767","13783","10.1021/ja904565j","","","0.71073","MoKα","","0.0573","0.0349","","","0.0691","0.0765","","","","","","1.006","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105067","13.1352","0.001","13.1883","0.001","17.824","0.0013","90.58","0.001","103.009","0.001","109.119","0.001","2830.7","0.4","131","2","131","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H162 Ga2 Nd4 O2 Si10 -","- C100 H162 Ga2 Nd4 O2 Si10 -","- C100 H162 Ga2 Nd4 O2 Si10 -","1","0.5","","Stefan G. Minasian; Jamin L. Krinsky; Jeffrey D. Rinehart; Roy Copping; Tolek Tyliszczak; Markus Janousch; David K. Shuh; John Arnold","A Comparison of 4f vs 5f Metal-Metal Bonds in (CpSiMe3)3M-ECp* (M = Nd, U; E = Al, Ga; Cp* = C5Me5): Synthesis, Thermodynamics, Magnetism, and Electronic Structure","Journal of the American Chemical Society","2009","131","","13767","13783","10.1021/ja904565j","","","0.71073","MoKα","","0.0529","0.0396","","","0.0893","0.0979","","","","","","1.037","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105068","31.3199","0.0001","66.5281","0.0006","31.002","0.0001","90","","120.28","0.001","90","","55784.5","0.8","123","2","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Co10 H600 Mo88 Na10 O400 -","- Mo87.966 O353.69 -","- Mo351.864 O1414.76 -","4","1","","Hiroyuki Imai; Tomoyuki Akutagawa; Fumito Kudo; Mitsuhiro Ito; Kazuhiro Toyoda; Shin-ichiro Noro; Leroy Cronin; Takayoshi Nakamura","Structure, Magnetism, and Ionic Conductivity of the Gigantic {Mo176}-Wheel Assembly: Na15Fe3Co16[Mo176O528H3(H2O)80]Cl27.450H2O","Journal of the American Chemical Society","2009","131","","13578","13579","10.1021/ja9048042","","x-ray","0.689","","","","0.0752","","","","0.2627","","","","","","1.014","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105069","22.211","0.002","7.9924","0.0008","16.8189","0.0016","90","","110.412","0.001","90","","2798.2","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 N2 O2 S -","- C13 H20 N2 O2 S -","- C104 H160 N16 O16 S8 -","8","1","","Richard S. Glass; Gordon L. Hug; Christian Schöneich; George S. Wilson; Larisa Kuznetsova; Tang-man Lee; Malika Ammam; Edward Lorance; Thomas Nauser; Gary S. Nichol; Takuhei Yamamoto","Neighboring Amide Participation in Thioether Oxidation: Relevance to Biological Oxidation","Journal of the American Chemical Society","2009","131","","13791","13805","10.1021/ja904895u","","","0.71073","MoKα","","0.0574","0.0465","","","0.114","0.124","","","","","","1.033","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105070","9.0746","0.0003","17.4596","0.0005","36.6618","0.001","90","","90","","90","","5808.7","0.3","295","2","295","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C29 H33 Br N2 O6 -","- C29 H33 Br N2 O6 -","- C232 H264 Br8 N16 O48 -","8","1","","Xiao-Hua Chen; Qiang Wei; Shi-Wei Luo; Han Xiao; Liu-Zhu Gong","Organocatalytic Synthesis of Spiro[pyrrolidin-3,3'-oxindoles] with High Enantiopurity and Structural Diversity","Journal of the American Chemical Society","2009","131","","13819","13825","10.1021/ja905302f","","","1.54184","CuKα","","0.1454","0.074","","","0.1609","0.1772","","","","","","1.056","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105071","11.8387","0.0006","4.987","0.0003","12.2899","0.0006","90","","107.049","0.003","90","","693.7","0.07","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C30 H36 O8 -","2","1","","Stephen P. Lathrop; Tomislav Rovis","Asymmetric Synthesis of Functionalized Cyclopentanones via a Multicatalytic Secondary Amine/N-Heterocyclic Carbene Catalyzed Cascade Sequence","Journal of the American Chemical Society","2009","131","","13628","13630","10.1021/ja905342e","","","0.71073","MoKα","","0.0526","0.0434","","","0.1091","0.1158","","","","","","1.035","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105072","5.7342","0.0005","15.4013","0.0012","13.9378","0.001","90","","93.861","0.003","90","","1228.11","0.17","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C56 H64 O12 -","4","2","","Stephen P. Lathrop; Tomislav Rovis","Asymmetric Synthesis of Functionalized Cyclopentanones via a Multicatalytic Secondary Amine/N-Heterocyclic Carbene Catalyzed Cascade Sequence","Journal of the American Chemical Society","2009","131","","13628","13630","10.1021/ja905342e","","","0.71073","MoKα","","0.0481","0.0385","","","0.0867","0.0911","","","","","","1.075","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105073","10.3296","0.0007","19.3034","0.0012","21.659","0.0014","90","","90","","90","","4318.7","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CpSc(CH2SiMe3)2(thf)","","","- C17 H35 O Sc Si2 -","- C17 H35 O Sc Si2 -","- C136 H280 O8 Sc8 Si16 -","8","1","","Xiaofang Li; Masayoshi Nishiura; Lihong Hu; Kyouichi Mori; Zhaomin Hou","Alternating and Random Copolymerization of Isoprene and Ethylene Catalyzed by Cationic Half-Sandwich Scandium Alkyls","Journal of the American Chemical Society","2009","131","","13870","13882","10.1021/ja9056213","","","0.71073","MoKα","","0.0586","0.0433","","","0.1172","0.1241","","","","","","1.011","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105074","9.6699","0.0008","10.88","0.0009","21.3864","0.0017","90","","94.657","0.001","90","","2242.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(MeC5H4)Sc(CH2SiMe3)2(thf)","","","- C18 H37 O Sc Si2 -","- C18 H37 O Sc Si2 -","- C72 H148 O4 Sc4 Si8 -","4","1","","Xiaofang Li; Masayoshi Nishiura; Lihong Hu; Kyouichi Mori; Zhaomin Hou","Alternating and Random Copolymerization of Isoprene and Ethylene Catalyzed by Cationic Half-Sandwich Scandium Alkyls","Journal of the American Chemical Society","2009","131","","13870","13882","10.1021/ja9056213","","","0.71073","MoKα","","0.0488","0.0375","","","0.097","0.1012","","","","","","1.003","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105075","10.6883","0.0019","10.871","0.002","11.368","0.002","87.149","0.002","75.32","0.002","89.132","0.002","1276.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(C5Me4H)Sc(CH2SiMe3)(thf)","","","- C21 H43 O Sc Si2 -","- C21 H43 O Sc Si2 -","- C42 H86 O2 Sc2 Si4 -","2","1","","Xiaofang Li; Masayoshi Nishiura; Lihong Hu; Kyouichi Mori; Zhaomin Hou","Alternating and Random Copolymerization of Isoprene and Ethylene Catalyzed by Cationic Half-Sandwich Scandium Alkyls","Journal of the American Chemical Society","2009","131","","13870","13882","10.1021/ja9056213","","","0.71073","MoKα","","0.0689","0.0597","","","0.1671","0.1761","","","","","","1.046","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105076","11.4414","0.0005","14.9248","0.0007","17.1487","0.0008","105.954","0.001","90.514","0.001","105.852","0.001","2697.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Cp*Sc(CH2SiMe3)2(thf)","","","- C22 H45 O Sc Si2 -","- C22 H45 O Sc Si2 -","- C88 H180 O4 Sc4 Si8 -","4","2","","Xiaofang Li; Masayoshi Nishiura; Lihong Hu; Kyouichi Mori; Zhaomin Hou","Alternating and Random Copolymerization of Isoprene and Ethylene Catalyzed by Cationic Half-Sandwich Scandium Alkyls","Journal of the American Chemical Society","2009","131","","13870","13882","10.1021/ja9056213","","","0.71073","MoKα","","0.0678","0.042","","","0.0994","0.1094","","","","","","1.025","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105077","10.627","0.003","11.68","0.003","13.541","0.004","83.223","0.004","85.051","0.004","80.193","0.004","1640.9","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(CpPPh2)Sc(CH2SiMe3)2(thf)","","","- C31 H45 P Sc Si2 -","- C31 H42 P Sc Si2 -","- C62 H84 P2 Sc2 Si4 -","2","1","","Xiaofang Li; Masayoshi Nishiura; Lihong Hu; Kyouichi Mori; Zhaomin Hou","Alternating and Random Copolymerization of Isoprene and Ethylene Catalyzed by Cationic Half-Sandwich Scandium Alkyls","Journal of the American Chemical Society","2009","131","","13870","13882","10.1021/ja9056213","","","0.71073","MoKα","","0.0998","0.0537","","","0.116","0.1253","","","","","","1.001","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105078","10.8504","0.0016","11.2243","0.0016","12.3328","0.0018","66.873","0.002","76.458","0.002","80.993","0.002","1339.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(CpC6H4OMe)Sc(CH2SiMe3)2(thf)","","","- C24 H41 O Sc Si2 -","- C24 H41 O Sc Si2 -","- C48 H82 O2 Sc2 Si4 -","2","1","","Xiaofang Li; Masayoshi Nishiura; Lihong Hu; Kyouichi Mori; Zhaomin Hou","Alternating and Random Copolymerization of Isoprene and Ethylene Catalyzed by Cationic Half-Sandwich Scandium Alkyls","Journal of the American Chemical Society","2009","131","","13870","13882","10.1021/ja9056213","","","0.71073","MoKα","","0.043","0.0366","","","0.1025","0.1065","","","","","","1.058","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105079","13.306","0.002","11.573","0.002","15.934","0.003","90","","95.471","0.003","90","","2442.5","0.7","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","(CpC6H4NMeCCH2)Sc(CH2SiMe3)","","","- C48 H78 N2 Sc2 Si2 -","- C48 H78 N2 Sc2 Si2 -","- C96 H156 N4 Sc4 Si4 -","2","0.5","","Xiaofang Li; Masayoshi Nishiura; Lihong Hu; Kyouichi Mori; Zhaomin Hou","Alternating and Random Copolymerization of Isoprene and Ethylene Catalyzed by Cationic Half-Sandwich Scandium Alkyls","Journal of the American Chemical Society","2009","131","","13870","13882","10.1021/ja9056213","","","0.71073","MoKα","","0.0663","0.0403","","","0.0764","0.0807","","","","","","1.034","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105080","12.472","0.003","13.767","0.003","16.813","0.004","93.771","0.003","107.989","0.003","106.375","0.003","2597.1","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","Cp'Sc(CH2SiMe3)(thf)2","","","- C48 H48 B F20 O2 Sc Si2 -","- C48 H48 B F20 O2 Sc Si2 -","- C96 H96 B2 F40 O4 Sc2 Si4 -","2","1","","Xiaofang Li; Masayoshi Nishiura; Lihong Hu; Kyouichi Mori; Zhaomin Hou","Alternating and Random Copolymerization of Isoprene and Ethylene Catalyzed by Cationic Half-Sandwich Scandium Alkyls","Journal of the American Chemical Society","2009","131","","13870","13882","10.1021/ja9056213","","","0.71073","MoKα","","0.0904","0.0517","","","0.1188","0.1307","","","","","","1.024","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105081","11.874","0.002","12.482","0.002","18.539","0.004","102.29","0.003","102.105","0.003","92.921","0.003","2611.8","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","(CpC6H4OMe)Sc(CH2SiMe3)(thf)2","","","- C52 H46 B F20 O3 Sc Si -","- C52 H46 B F20 O3 Sc Si -","- C104 H92 B2 F40 O6 Sc2 Si2 -","2","1","","Xiaofang Li; Masayoshi Nishiura; Lihong Hu; Kyouichi Mori; Zhaomin Hou","Alternating and Random Copolymerization of Isoprene and Ethylene Catalyzed by Cationic Half-Sandwich Scandium Alkyls","Journal of the American Chemical Society","2009","131","","13870","13882","10.1021/ja9056213","","","0.71073","MoKα","","0.1622","0.0924","","","0.1837","0.2152","","","","","","1.045","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105082","12.691","0.005","19.134","0.007","20.044","0.007","68.881","0.005","89.92","0.005","89.596","0.005","4540","3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H124 N6 O14 Zn -","- C100 H124 N6 O14 Zn -","- C200 H248 N12 O28 Zn2 -","2","1","","Janet E. Lovett; Markus Hoffmann; Arjen Cnossen; Alexander T. J. Shutter; Hannah J. Hogben; Christopher W. M. Kay; Christiane R. Timmel; Harry L. Anderson","Probing Flexibility in Porphyrin-Based Molecular Wires Using Double Electron Electron Resonance","Journal of the American Chemical Society","2009","131","","13852","13859","10.1021/ja905796z","","","0.6939","synchrotron","","0.1262","0.073","","0.1061","0.0868","0.0868","","","","","","1.3046","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105083","32.5892","0.0012","15.3988","0.0006","28.4571","0.001","90","","124.734","0.003","90","","11736","0.9","325","2","325","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H71 N O11 -","- C51 H71 N O11 -","- C408 H568 N8 O88 -","8","1","","Paul G. Clark; Michael W. Day; Robert H. Grubbs","Switching and Extension of a [c2]Daisy-Chain Dimer Polymer","Journal of the American Chemical Society","2009","131","","13631","13633","10.1021/ja905924u","","","1.54178","CuKα","","0.1521","0.1087","","","0.1987","0.2031","","","","","","2.758","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4105084","13.566","0.004","15.65","0.005","29.776","0.009","90","","90","","90","","6322","3","103","2","103","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl4 N O5 P Pd S -","- C28 H28 Cl4 N O5 P Pd S -","- C224 H224 Cl32 N8 O40 P8 Pd8 S8 -","8","1","","Shusuke Noda; Akifumi Nakamura; Takuya Kochi; Lung Wa Chung; Keiji Morokuma; Kyoko Nozaki","Mechanistic Studies on the Formation of Linear Polyethylene Chain Catalyzed by Palladium Phosphine-Sulfonate Complexes: Experiment and Theoretical Studies","Journal of the American Chemical Society","2009","131","","14088","14100","10.1021/ja9047398","","","0.7107","MoKα","","0.0396","0.0372","","","0.0914","0.093","","","","","","1.11","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105085","11.595","0.0007","14.7764","0.0009","29.2387","0.0018","90","","90","","90","","5009.5","0.5","143","1","143","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H44 B2 K N O6 -","- C18 H44 B2 K N O6 -","- C144 H352 B16 K8 N8 O48 -","8","1","","Daniel W. Himmelberger; Chang Won Yoon; Martin E. Bluhm; Patrick J. Carroll; Larry G. Sneddon","Base-Promoted Ammonia Borane Hydrogen-Release","Journal of the American Chemical Society","2009","131","","14101","14110","10.1021/ja905015x","","","0.71073","MoKα","","0.0459","0.0374","","","0.0892","0.0943","","","","","","1.031","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105086","7.5161","0.0005","10.3189","0.0005","10.7196","0.0008","90","","89.877","0.006","90","","831.39","0.09","208","2","208","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H26 B N O2 -","- C17 H26 B N O2 -","- C34 H52 B2 N2 O4 -","2","1","","Kyoung Taek Kim; Jeroen J. L. M. Cornelissen; Roeland J. M. Nolte; Jan C. M. van Hest","Polymeric Monosaccharide Receptors Responsive at Neutral pH","Journal of the American Chemical Society","2009","131","","13908","13909","10.1021/ja905652w","","","0.71073","MoKα","","0.0526","0.042","","0.0891","0.0849","0.0891","","","1.106","","","1.106","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105087","10.604","0.006","12.799","0.007","15.992","0.009","90","","99.688","0.001","90","","2139","2","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Cl N3 O Pd -","- C23 H26 Cl N3 O Pd -","- C92 H104 Cl4 N12 O4 Pd4 -","4","1","","Polly L. Arnold; Melanie S. Sanford; Stephen M. Pearson","Chelating N-Heterocyclic Carbene Alkoxide as a Supporting Ligand for PdII/IV C-H Bond Functionalization Catalysis","Journal of the American Chemical Society","2009","131","","13912","13913","10.1021/ja905713t","","","0.71073","MoKα","","0.0758","0.038","","","0.0692","0.08","","","","","","1.044","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105088","13.5786","0.0007","12.6706","0.0006","15.1481","0.0008","90","","97.18","","90","","2585.8","0.2","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 Cl2 N3 O2 Pd -","- C26 H31 Cl2 N3 O2 Pd -","- C104 H124 Cl8 N12 O8 Pd4 -","4","1","","Polly L. Arnold; Melanie S. Sanford; Stephen M. Pearson","Chelating N-Heterocyclic Carbene Alkoxide as a Supporting Ligand for PdII/IV C-H Bond Functionalization Catalysis","Journal of the American Chemical Society","2009","131","","13912","13913","10.1021/ja905713t","","","0.71073","MoKα","","0.0307","0.0261","","","0.0658","0.0688","","","","","","1.08","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105089","36.323","0.012","10.166","0.003","34.552","0.01","90","","99.372","0.009","90","","12588","7","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C154 H132 B3 N23 -","- C154 H132 B3 N23 -","- C616 H528 B12 N92 -","4","1","","Barry A. Blight; Amaya Camara-Campos; Smilja Djurdjevic; Martin Kaller; David A. Leigh; Fiona M. McMillan; Hamish McNab; Alexandra M. Z. Slawin","AAA-DDD Triple Hydrogen Bond Complexes","Journal of the American Chemical Society","2009","131","","14116","14122","10.1021/ja906061v","","","1.54178","CuKα","","0.1103","0.0884","","","0.2417","0.2881","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105090","30.938","0.003","12.09","0.002","20.027","0.002","90","","110.221","0.01","90","","7029.2","1.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H68 F8 Fe N8 -","- C74 H68 F8 Fe N8 -","- C296 H272 F32 Fe4 N32 -","4","0.5","","Heather R. Lucas; Gerald J. Meyer; Kenneth D. Karlin","Carbon Monoxide and Nitrogen Monoxide Ligand Dynamics in Synthetic Heme and Heme-Copper Complex Systems","Journal of the American Chemical Society","2009","131","","13924","13925","10.1021/ja906172c","","","0.71073","MoKα","","0.0806","0.0546","","","0.1399","0.1548","","","","","","0.961","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105091","13.669","0.006","14.829","0.007","18.824","0.008","90","","91.964","0.008","90","","3813","3","143","2","143","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H39 Cl N2 O P Rh S -","- C46 H39 Cl N2 O P Rh S -","- C184 H156 Cl4 N8 O4 P4 Rh4 S4 -","4","1","","Yoshihiro Matano; Tooru Miyajima; Noriaki Ochi; Takashi Nakabuchi; Motoo Shiro; Yoshihide Nakao; Shigeyoshi Sakaki; Hiroshi Imahori","Syntheses, Structures, and Coordination Chemistry of Phosphole-Containing Hybrid Calixphyrins: Promising Macrocyclic P,N2,X-Mixed Donor Ligands for Designing Reactive Transition Metal Complexes","Journal of the American Chemical Society","2009","131","","14123","14123","10.1021/ja907161j","","","0.7107","MoKα","","0.1435","0.1127","","","0.2041","0.2285","","","","","","1.264","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105092","46.377","0.009","26.689","0.005","12.107","0.002","90","","92.84","0.03","90","","14967","5","4","","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","JLG-12","","","- C180 H600 Ge139.73 N60 O339.45 -","- Ge139.728 O339.456 -","- Ge139.728 O339.456 -","1","0.125","","Xiaoyan Ren; Yi Li; Qinhe Pan; Jihong Yu; Ruren Xu; Ying Xu","A Crystalline Germanate with Mesoporous 30-Ring Channels","Journal of the American Chemical Society","2009","131","","14128","14129","10.1021/ja902413j","","","0.71073","MoKα","","0.1436","0.0938","","","0.2237","0.2436","","","","","","0.907","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105093","19.698","0.011","9.579","0.005","11.98","0.007","90","0.002","102.414","0.002","90","0.002","2208","2","103.15","","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H38 Ir N P2 -","- C19 H38 Ir N P2 -","- C76 H152 Ir4 N4 P8 -","4","0.5","","Ryo Tanaka; Makoto Yamashita; Kyoko Nozaki","Catalytic Hydrogenation of Carbon Dioxide Using Ir(III)-Pincer Complexes","Journal of the American Chemical Society","2009","131","","14168","14169","10.1021/ja903574e","","","0.7107","MoKα","","0.0503","0.0351","","","0.0727","0.0802","","","","","","1.061","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105094","12.0232","0.0002","15.6642","0.0003","18.963","0.0003","70.65","0.001","87.145","0.001","83.73","0.001","3349.13","0.1","193","2","193","2","","","","","","","chemical synthesis","5","P -1","-P 1","2","(dmpm)Mn(py)2","bis-pyridine (1,9-dimesityl-5,5-dimethyldipyrromethanato)manganese(II)","","- C77.61 H85.19 Mn2 N7.61 O0.4 -","- C77.605 H85.185 Mn2 N7.605 O0.395 -","- C155.21 H170.37 Mn4 N15.21 O0.79 -","2","1","","Evan R. King; Theodore A. Betley","Unusual Electronic Structure of First Row Transition Metal Complexes Featuring Redox-Active Dipyrromethane Ligands","Journal of the American Chemical Society","2009","131","","14374","14380","10.1021/ja903997a","","x-ray","0.71073","MoKα","","0.095","0.0484","","","0.0994","0.117","","","","","","0.998","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105095","14.1937","0.0002","10.4697","0.0001","23.1322","0.0003","90","","104.822","0.001","90","","3323.15","0.07","193","2","193","2","","","","","","","chemical synthesis","4","P 1 21/n 1","-P 2yn","14","(dmpm)Fe(py)2","bis-pyridine (1,9-dimesityl-5,5-dimethyldipyrromethanato)iron(II)","","- C39 H42 Fe N4 -","- C39 H42 Fe N4 -","- C156 H168 Fe4 N16 -","4","1","","Evan R. King; Theodore A. Betley","Unusual Electronic Structure of First Row Transition Metal Complexes Featuring Redox-Active Dipyrromethane Ligands","Journal of the American Chemical Society","2009","131","","14374","14380","10.1021/ja903997a","","x-ray","0.71073","MoKα","","0.0627","0.0392","","","0.0936","0.1059","","","","","","1.019","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105096","16.09","0.0008","12.823","0.0007","17.9711","0.0009","90","","114.562","0.001","90","","3372.3","0.3","193","2","193","2","","","","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","(dmpm)Co(py)2","bis-pyridine (1,9-dimesityl-5,5-dimethyldipyrromethanato)cobalt(II)","","- C39 H42 Co N4 -","- C39 H42 Co N4 -","- C156 H168 Co4 N16 -","4","1","","Evan R. King; Theodore A. Betley","Unusual Electronic Structure of First Row Transition Metal Complexes Featuring Redox-Active Dipyrromethane Ligands","Journal of the American Chemical Society","2009","131","","14374","14380","10.1021/ja903997a","","x-ray","0.71073","MoKα","","0.0482","0.0382","","","0.0974","0.1057","","","","","","1.038","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105097","9.2319","0.001","27.39","0.003","14.7364","0.0015","90","","96.2208","0.0017","90","","3704.3","0.7","193","2","193","2","","","","","","","chemical synthesis","5","P 1 21/n 1","-P 2yn","14","(dmpm)Ni(py)2","bis-pyridine (1,9-dimesityl-5,5-dimethyldipyrromethanato)nickel(II)","","- C43 H50 N4 Ni O -","- C43 H50 N4 Ni O -","- C172 H200 N16 Ni4 O4 -","4","1","","Evan R. King; Theodore A. Betley","Unusual Electronic Structure of First Row Transition Metal Complexes Featuring Redox-Active Dipyrromethane Ligands","Journal of the American Chemical Society","2009","131","","14374","14380","10.1021/ja903997a","","x-ray","0.71073","MoKα","","0.0662","0.0463","","","0.1052","0.1162","","","","","","1.027","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105098","11.9617","0.0016","15.652","0.002","19.66","0.003","67.369","0.002","87.695","0.003","82.901","0.002","3371.3","0.8","193","2","193","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","(dmpm)Zn(py)2","bis-pyridine (1,9-dimesityl-5,5-dimethyldipyrromethanato)zinc(II)","","- C39 H42 N4 Zn -","- C39 H42 N4 Zn -","- C156 H168 N16 Zn4 -","4","2","","Evan R. King; Theodore A. Betley","Unusual Electronic Structure of First Row Transition Metal Complexes Featuring Redox-Active Dipyrromethane Ligands","Journal of the American Chemical Society","2009","131","","14374","14380","10.1021/ja903997a","","","0.71073","MoKα","","0.083","0.0488","","","0.1164","0.1313","","","","","","1.058","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105099","13.7199","0.0007","12.6669","0.0005","22.8413","0.0012","90","","103.487","0.003","90","","3860.1","0.3","193","2","193","2","","","","","","","chemical synthesis","7","P 1 21/n 1","-P 2yn","14","[(dmpm)CoCl(THF)][Li(THF)2]","(mono-tetrahydrofuran)(1,9-dimesitly-5,5-dimethyldipyrromethanato)cobalt(II) chloride (bis-tetrahydrofuran)lithiate","","- C41 H56 Cl Co Li N2 O3 -","- C41 H56 Cl Co Li N2 O3 -","- C164 H224 Cl4 Co4 Li4 N8 O12 -","4","1","","Evan R. King; Theodore A. Betley","Unusual Electronic Structure of First Row Transition Metal Complexes Featuring Redox-Active Dipyrromethane Ligands","Journal of the American Chemical Society","2009","131","","14374","14380","10.1021/ja903997a","","x-ray","0.71073","MoKα","","0.1955","0.0671","","","0.1242","0.1774","","","","","","0.927","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105100","10.7737","0.0003","23.0411","0.0005","16.5575","0.0004","90","","90.09","0.001","90","","4110.19","0.18","100","2","100","2","","","","","","","chemical synthesis","5","P 1 21/c 1","-P 2ybc","14","(dmpm)Fe(bpy)","bipyridine (1,9-dimesityl-5,5-dimethyldipyrromethanato)nickel(II)","","- C47 H56 Fe N4 O2 -","- C47 H56 Fe N4 O2 -","- C188 H224 Fe4 N16 O8 -","4","1","","Evan R. King; Theodore A. Betley","Unusual Electronic Structure of First Row Transition Metal Complexes Featuring Redox-Active Dipyrromethane Ligands","Journal of the American Chemical Society","2009","131","","14374","14380","10.1021/ja903997a","","x-ray","0.71073","MoKα","","0.0618","0.0418","","","0.1013","0.1122","","","","","","1.029","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105101","14.389","0.003","7.4555","0.001","21.93","0.009","90","","103.2","0.03","90","","2290.4","1.1","193","2","193","2","","","","","","","chemical synthesis","3","P 1 21/c 1","-P 2ybc","14","(dmpm)-2H","2,5-Dimesityl-7,7-dimethyl-7H-1,6-diazacyclopenta[a]pentalene","","- C29 H30 N2 -","- C29 H30 N2 -","- C116 H120 N8 -","4","1","","Evan R. King; Theodore A. Betley","Unusual Electronic Structure of First Row Transition Metal Complexes Featuring Redox-Active Dipyrromethane Ligands","Journal of the American Chemical Society","2009","131","","14374","14380","10.1021/ja903997a","","x-ray","0.71073","MoKα","","0.0683","0.0524","","","0.137","0.1528","","","","","","1.017","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105102","9.188","0.003","18.326","0.005","25.212","0.007","90","","98.618","0.005","90","","4197","2","113.1","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H39 Cl2 F3 O4 P2 Pt S -","- C44 H39 Cl2 F3 O4 P2 Pt S -","- C176 H156 Cl8 F12 O16 P8 Pt4 S4 -","4","1","","Takashi Ohshima; Yoshiki Miyamoto; Junji Ipposhi; Yasuhito Nakahara; Masaru Utsunomiya; Kazushi Mashima","Platinum-Catalyzed Direct Amination of Allylic Alcohols under Mild Conditions: Ligand and Microwave Effects, Substrate Scope, and Mechanistic Study","Journal of the American Chemical Society","2009","131","","14317","14328","10.1021/ja9046075","","","0.71075","MoKα","","","0.0616","","","","0.1612","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105103","8.9147","0.0003","22.8108","0.0006","6.9905","0.0002","90","","104.193","0.004","90","","1378.14","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cl F N Pt -","- C15 H15 Cl F N Pt -","- C60 H60 Cl4 F4 N4 Pt4 -","4","1","","Sarah H. Crosby; Guy J. Clarkson; Jonathan P. Rourke","A Delicate Balance between sp2 and sp3 C-H Bond Activation: A Pt(II) Complex with a Dual Agostic Interaction","Journal of the American Chemical Society","2009","131","","14142","14143","10.1021/ja905046n","","","0.71073","MoKα","","0.0286","0.0216","","","0.0434","0.0444","","","","","","1.003","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105104","10.4454","0.0001","9.1995","0.0002","11.4117","0.0002","90","","112.762","0.001","90","","1011.18","0.03","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C6 H18 B0.5 P2 Rh0.5 -","- C6 H18 B0.5 P2 Rh0.5 -","- C24 H72 B2 P8 Rh2 -","4","1","","Michael T. Mock; Robert G. Potter; Donald M. Camaioni; Jun Li; William G. Dougherty; W. Scott Kassel; Brendan Twamley; Daniel L. DuBois","Thermodynamic Studies and Hydride Transfer Reactions from a Rhodium Complex to BX3 Compounds","Journal of the American Chemical Society","2009","131","","14454","14465","10.1021/ja905287q","","","1.54178","CuKα","","0.0361","0.0308","","","0.0784","0.0824","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105105","30.0678","0.0005","9.3277","0.0001","17.4534","0.0003","90","","100.997","0.001","90","","4805.15","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H37 P4 Rh S -","- C18 H37 P4 Rh S -","- C144 H296 P32 Rh8 S8 -","8","1","","Michael T. Mock; Robert G. Potter; Donald M. Camaioni; Jun Li; William G. Dougherty; W. Scott Kassel; Brendan Twamley; Daniel L. DuBois","Thermodynamic Studies and Hydride Transfer Reactions from a Rhodium Complex to BX3 Compounds","Journal of the American Chemical Society","2009","131","","14454","14465","10.1021/ja905287q","","","1.54178","CuKα","","0.0242","0.0225","","","0.0588","0.0598","","","","","","1.029","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105106","13.0664","0.0011","13.0868","0.0011","13.553","0.0012","74.795","0.003","83.485","0.003","89.799","0.003","2221.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H62 B O P4 Rh S4 -","- C40 H62 B O P4 Rh S4 -","- C80 H124 B2 O2 P8 Rh2 S8 -","2","1","","Michael T. Mock; Robert G. Potter; Donald M. Camaioni; Jun Li; William G. Dougherty; W. Scott Kassel; Brendan Twamley; Daniel L. DuBois","Thermodynamic Studies and Hydride Transfer Reactions from a Rhodium Complex to BX3 Compounds","Journal of the American Chemical Society","2009","131","","14454","14465","10.1021/ja905287q","","","0.71073","MoKα","","0.0324","0.026","","","0.06","0.0627","","","","","","1.024","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105107","9.3217","0.0005","23.7165","0.0012","17.4337","0.0009","90","","94.144","0.001","90","","3844.1","0.3","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","[DMPE2Ph][(PhO)4B]","","","- C36 H52 B O4 P4 Rh -","- C36 H52 B O4 P4 Rh -","- C144 H208 B4 O16 P16 Rh4 -","4","1","","Michael T. Mock; Robert G. Potter; Donald M. Camaioni; Jun Li; William G. Dougherty; W. Scott Kassel; Brendan Twamley; Daniel L. DuBois","Thermodynamic Studies and Hydride Transfer Reactions from a Rhodium Complex to BX3 Compounds","Journal of the American Chemical Society","2009","131","","14454","14465","10.1021/ja905287q","","","0.71073","MoKα","","0.0404","0.0354","","","0.0781","0.081","","","","","","1.041","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105108","5.8212","0.0008","24.359","0.003","11.9665","0.0016","90","","94.553","0.004","90","","1691.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 B S3 -","- C18 H15 B S3 -","- C72 H60 B4 S12 -","4","1","","Michael T. Mock; Robert G. Potter; Donald M. Camaioni; Jun Li; William G. Dougherty; W. Scott Kassel; Brendan Twamley; Daniel L. DuBois","Thermodynamic Studies and Hydride Transfer Reactions from a Rhodium Complex to BX3 Compounds","Journal of the American Chemical Society","2009","131","","14454","14465","10.1021/ja905287q","","","0.71073","MoKα","","0.1187","0.0478","","","0.0796","0.0974","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105109","10.0577","0.0019","10.8143","0.001","13.1328","0.0019","90","","100.152","0.014","90","","1406.1","0.4","200","","200","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H10 B F4 Mn O4 -","- C11 H10 B F4 Mn O4 -","- C44 H40 B4 F16 Mn4 O16 -","4","2","","Antoine Eloi; Françoise Rose-Munch; Eric Rose","Resolution of Planar Chiral Cationic (η6-Arene)tricarbonylmanganese Complexes","Journal of the American Chemical Society","2009","131","","14178","14179","10.1021/ja905712k","","","0.71073","MoKα","","0.096","0.0727","","0.1149","0.0831","0.0797","","","","","","1.0744","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105110","7.3987","0.0011","9.934","0.0012","13.8457","0.0019","90","","91.739","0.011","90","","1017.2","0.2","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 Mn O5 -","- C21 H25 Mn O5 -","- C42 H50 Mn2 O10 -","2","1","","Antoine Eloi; Françoise Rose-Munch; Eric Rose","Resolution of Planar Chiral Cationic (η6-Arene)tricarbonylmanganese Complexes","Journal of the American Chemical Society","2009","131","","14178","14179","10.1021/ja905712k","","","0.71073","MoKα","","0.0308","0.0258","","0.0338","0.0298","0.0293","","","","","","1.0793","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105111","8.787","0.005","14.455","0.005","28.832","0.005","90","","90","","90","","3662","3","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H41 N7 O4 -","- C37 H45 N7 O6 -","- C148 H180 N28 O24 -","4","1","","Clémence Mocquet; Arnaud Salaün; Paul Claudon; Barbara Le Grel; Michel Potel; Gilles Guichard; Brigitte Jamart-Grégoire; Philippe Le Grel","Aza-β3-cyclopeptides: A New Way of Controlling Nitrogen Chirality","Journal of the American Chemical Society","2009","131","","14521","14525","10.1021/ja9058074","","x-ray","0.71069","MoKα","","0.0471","0.0443","","","0.0869","0.0883","","","","","","1.17","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105112","25.421","0.0017","25.421","","6.6885","0.0005","90","","90","","120","","3743.2","0.4","100","2","100","2","","","","","","","synthesis as described","4","R 3 :H","R 3","146","","","","- C46 H67 N11 O6 -","- C45.99 H66.99 N11.01 O6 -","- C137.97 H200.97 N33.03 O18 -","3","0.333333","","Clémence Mocquet; Arnaud Salaün; Paul Claudon; Barbara Le Grel; Michel Potel; Gilles Guichard; Brigitte Jamart-Grégoire; Philippe Le Grel","Aza-β3-cyclopeptides: A New Way of Controlling Nitrogen Chirality","Journal of the American Chemical Society","2009","131","","14521","14525","10.1021/ja9058074","","x-ray","0.71073","MoKα","","0.0454","0.0427","","","0.0957","0.0973","","","","","","1.069","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105113","11.31","0.003","28.101","0.006","11.975","0.003","90","","101.068","0.0013","90","","3735.1","1.6","120.15","","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H57 B N2 O3 Ti -","- C35 H57 B N2 O3 Ti -","- C140 H228 B4 N8 O12 Ti4 -","4","1","","Tomomi Terabayashi; Takashi Kajiwara; Makoto Yamashita; Kyoko Nozaki","Group-4 Transition-Metal Boryl Complexes: Syntheses, Structures, Boron-Metal Bonding Properties, and Application as a Polymerization Catalyst","Journal of the American Chemical Society","2009","131","","14162","14163","10.1021/ja905950g","","","0.7107","MoKα","","0.0554","0.0489","","","0.1108","0.1142","","","","","","1.11","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105114","18.7","0.003","12.582","0.002","19.211","0.004","90","","104.734","0.0005","90","","4371.4","1.3","121.15","","121","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H65 B Hf N2 -","- C50 H65 B Hf N2 -","- C200 H260 B4 Hf4 N8 -","4","1","","Tomomi Terabayashi; Takashi Kajiwara; Makoto Yamashita; Kyoko Nozaki","Group-4 Transition-Metal Boryl Complexes: Syntheses, Structures, Boron-Metal Bonding Properties, and Application as a Polymerization Catalyst","Journal of the American Chemical Society","2009","131","","14162","14163","10.1021/ja905950g","","","0.7107","MoKα","","0.0343","0.0299","","","0.0706","0.0748","","","","","","1.066","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105115","8.6071","0.0005","17.832","0.0009","14.8374","0.0007","90","","99.225","0.001","90","","2247.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 Cl10 Ir2 N6 Pd -","- C32 H52 Cl10 Ir2 N6 Pd -","- C64 H104 Cl20 Ir4 N12 Pd2 -","2","0.5","","Alessandro Zanardi; José A. Mata; Eduardo Peris","Well-Defined Ir/Pd Complexes with a Triazolyl-diylidene Bridge as Catalysts for Multiple Tandem Reactions","Journal of the American Chemical Society","2009","131","","14531","14537","10.1021/ja906028g","","x-ray","0.71073","MoKα","","0.0697","0.0373","","","0.0745","0.0841","","","","","","1.022","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105116","9.1008","0.001","8.805","0.001","14.0629","0.0015","90","","105.996","0.002","90","","1083.3","0.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H25 Cl2 F6 Ir N3 P -","- C15 H25 Cl2 F6 Ir N3 P -","- C30 H50 Cl4 F12 Ir2 N6 P2 -","2","1","","Alessandro Zanardi; José A. Mata; Eduardo Peris","Well-Defined Ir/Pd Complexes with a Triazolyl-diylidene Bridge as Catalysts for Multiple Tandem Reactions","Journal of the American Chemical Society","2009","131","","14531","14537","10.1021/ja906028g","","x-ray","0.71073","MoKα","","0.0573","0.0438","","","0.0978","0.1043","","","","","","1.008","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105117","28.963","0.0008","13.9348","0.0004","23.0014","0.0007","90","","126.64","0.001","90","","7448.9","0.4","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 Cl12.5 Ir N4 Pd -","- C23 H32 Cl12.5 Ir N4 Pd -","- C184 H256 Cl100 Ir8 N32 Pd8 -","8","1","","Alessandro Zanardi; José A. Mata; Eduardo Peris","Well-Defined Ir/Pd Complexes with a Triazolyl-diylidene Bridge as Catalysts for Multiple Tandem Reactions","Journal of the American Chemical Society","2009","131","","14531","14537","10.1021/ja906028g","","x-ray","0.71073","MoKα","","0.0628","0.0485","","","0.1346","0.1442","","","","","","1.039","","","","has coordinates,has disorder","264764","2021-05-03","08:11:06",""
"4105118","7.328","","6.743","","10.816","","90","","90","","90","","534.448","","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H Ce O6 -","- C3 H Ce O6 -","- C12 H4 Ce4 O24 -","4","1","","Jin Chong Tan; Joshua D. Furman; Anthony K. Cheetham","Relating Mechanical Properties and Chemical Bonding in an Inorganic-Organic Framework Material: A Single-Crystal Nanoindentation Study","Journal of the American Chemical Society","2009","131","","14252","14254","10.1021/ja9060307","","","0.71073","MoKα","","0.0174","0.0171","","","0.0432","0.0444","","","","","","1.079","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105119","16.33","0.003","16.55","0.003","27.623","0.005","90","","105.873","0.003","90","","7181","2","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84.5 H102 Ge2 O4 -","- C84.5 H102 Ge2 O4 -","- C338 H408 Ge8 O16 -","4","1","","Xinping Wang; Yang Peng; Marilyn M. Olmstead; James C. Fettinger; Philip P. Power","An Unsymmetric Oxo/Imido-Bridged Germanium-Centered Singlet Diradicaloid","Journal of the American Chemical Society","2009","131","","14164","14165","10.1021/ja906053y","","","0.71073","MoKα","","0.1158","0.0924","","","0.2316","0.242","","","","","","1.099","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105120","11.878","0.005","12.684","0.005","20.133","0.008","95.349","0.006","96.099","0.006","95.729","0.006","2984","2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","D*Ge(O)(NPh)GeD*.0.5toluene","","","- C70.5 H85 Ge2 N O -","- C70.5 H85 Ge2 N O -","- C141 H170 Ge4 N2 O2 -","2","1","","Xinping Wang; Yang Peng; Marilyn M. Olmstead; James C. Fettinger; Philip P. Power","An Unsymmetric Oxo/Imido-Bridged Germanium-Centered Singlet Diradicaloid","Journal of the American Chemical Society","2009","131","","14164","14165","10.1021/ja906053y","","","0.71073","MoKα","","0.1777","0.1091","","","0.2718","0.2956","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105121","37.31","0.007","22.077","0.004","13.469","0.003","90","","96.178","0.003","90","","11030","4","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Fe2(O)(H2O)2BPG2DEV](ClO4)2","","","- C41 H44 Cl2 Fe2 N6 O21 -","- C41 H44 Cl2 Fe2 N6 O21.0004 -","- C328 H352 Cl16 Fe16 N48 O168.003 -","8","1","","Simone Friedle; Jeremy J. Kodanko; Anna J. Morys; Takahiro Hayashi; Pierre Moënne-Loccoz; Stephen J. Lippard","Modeling the Syn Disposition of Nitrogen Donors in Non-Heme Diiron Enzymes. Synthesis, Characterization, and Hydrogen Peroxide Reactivity of Diiron(III) Complexes with the Syn N-Donor Ligand H2BPG2DEV","Journal of the American Chemical Society","2009","131","","14508","14520","10.1021/ja906137y","","","0.71073","MoKα","","0.1199","0.0674","","","0.172","0.2031","","","","","","1.028","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105122","33.486","0.011","17.521","0.006","38.95","0.013","90","","90","","90","","22852","13","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Fe2(O)(O2CAriPrO)BPG2DEV](ClO4)","","","- C55.5 H59.44 Cl2.56 Fe2 N6 O16.97 -","- C55.5 H59.443 Cl2.557 Fe2 N6 O16.9715 -","- C888 H951.088 Cl40.912 Fe32 N96 O271.544 -","16","2","","Simone Friedle; Jeremy J. Kodanko; Anna J. Morys; Takahiro Hayashi; Pierre Moënne-Loccoz; Stephen J. Lippard","Modeling the Syn Disposition of Nitrogen Donors in Non-Heme Diiron Enzymes. Synthesis, Characterization, and Hydrogen Peroxide Reactivity of Diiron(III) Complexes with the Syn N-Donor Ligand H2BPG2DEV","Journal of the American Chemical Society","2009","131","","14508","14520","10.1021/ja906137y","","","0.71073","MoKα","","0.0993","0.0702","","","0.1817","0.2052","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105123","29.39","0.02","19.541","0.013","16.328","0.011","90","","103.023","0.012","90","","9136","11","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe2(O)(CO3)BPG2DEV]","","","- C46 H54 Fe2 N6 O16 -","- C46 H54 Fe2 N6 O16 -","- C368 H432 Fe16 N48 O128 -","8","1","","Simone Friedle; Jeremy J. Kodanko; Anna J. Morys; Takahiro Hayashi; Pierre Moënne-Loccoz; Stephen J. Lippard","Modeling the Syn Disposition of Nitrogen Donors in Non-Heme Diiron Enzymes. Synthesis, Characterization, and Hydrogen Peroxide Reactivity of Diiron(III) Complexes with the Syn N-Donor Ligand H2BPG2DEV","Journal of the American Chemical Society","2009","131","","14508","14520","10.1021/ja906137y","","","0.71073","MoKα","","0.0902","0.0621","","","0.1411","0.1533","","","","","","1.081","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105124","12.9471","0.0005","10.05","0.0004","14.9118","0.0006","90","","101.843","0.0004","90","","1898.99","0.13","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H36 O2 Si -","- C19 H36 O2 Si -","- C76 H144 O8 Si4 -","4","1","","Michel Prévost; K. A. Woerpel","Insertions of Silylenes into Vinyl Epoxides: Diastereoselective Synthesis of Functionalized, Optically Active trans-Dioxasilacyclooctenes","Journal of the American Chemical Society","2009","131","","14182","14183","10.1021/ja906204a","","","0.71073","MoKα","","0.0335","0.0304","","","0.0832","0.0861","","","","","","1.049","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105125","8.2287","0.0006","18.2598","0.0013","20.6213","0.0015","103.53","0.0009","90.5933","0.0009","102.354","0.0009","2936.7","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H48 O7 Si -","- C28 H48 O7 Si -","- C112 H192 O28 Si4 -","4","2","","Michel Prévost; K. A. Woerpel","Insertions of Silylenes into Vinyl Epoxides: Diastereoselective Synthesis of Functionalized, Optically Active trans-Dioxasilacyclooctenes","Journal of the American Chemical Society","2009","131","","14182","14183","10.1021/ja906204a","","","0.71073","MoKα","","0.0522","0.04","","","0.0991","0.1058","","","","","","1.022","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105126","5.0947","0.0009","22.762","0.004","24.163","0.004","90","","90","","90","","2802.1","0.8","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 N O10 -","- C28 H33 N O10 -","- C112 H132 N4 O40 -","4","1","","Marlin Penner; Vivek Rauniyar; Ludwig T. Kaspar; Dennis G. Hall","Catalytic Asymmetric Synthesis of Palmerolide A via Organoboron Methodology","Journal of the American Chemical Society","2009","131","","14216","14217","10.1021/ja906429c","","","0.71073","MoKα","","0.1255","0.0591","","","0.0943","0.1124","","","","","","1.03","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105127","14.9202","0.0016","14.1025","0.0015","15.2798","0.0016","90","","101.111","0.001","90","","3154.8","0.6","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H36 B N -","- C37 H36 B N -","- C148 H144 B4 N4 -","4","1","","Chul Baik; Zachary M. Hudson; Hazem Amarne; Suning Wang","Enhancing the Photochemical Stability of N,C-Chelate Boryl Compounds: C-C Bond Formation versus C=C Bond cis,trans-Isomerization","Journal of the American Chemical Society","2009","131","","14549","14559","10.1021/ja906430s","","","0.71073","MoKα","","0.0848","0.0552","","","0.1503","0.164","","","","","","1.103","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105128","14.8343","0.0003","13.9749","0.0003","15.5452","0.0003","90","","102.543","0.002","90","","3145.73","0.11","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H41 B N -","- C40 H41 B N -","- C160 H164 B4 N4 -","4","1","","Chul Baik; Zachary M. Hudson; Hazem Amarne; Suning Wang","Enhancing the Photochemical Stability of N,C-Chelate Boryl Compounds: C-C Bond Formation versus C=C Bond cis,trans-Isomerization","Journal of the American Chemical Society","2009","131","","14549","14559","10.1021/ja906430s","","","0.71073","MoKα","","0.0993","0.0608","","","0.1546","0.1808","","","","","","1.038","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105129","18.4312","0.0011","11.1173","0.0008","15.6979","0.0009","90","","112.743","0.004","90","","2966.5","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 B Cl2 N -","- C35 H35 B Cl2 N -","- C140 H140 B4 Cl8 N4 -","4","1","","Chul Baik; Zachary M. Hudson; Hazem Amarne; Suning Wang","Enhancing the Photochemical Stability of N,C-Chelate Boryl Compounds: C-C Bond Formation versus C=C Bond cis,trans-Isomerization","Journal of the American Chemical Society","2009","131","","14549","14559","10.1021/ja906430s","","","0.71073","MoKα","","0.1758","0.0604","","","0.1073","0.148","","","","","","0.959","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105130","16.582","0.004","17.149","0.004","19.939","0.006","79.126","0.004","65.471","0.003","64.616","0.003","4660","2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C99 H96 B3 N3 -","- C99 H96 B3 N3 -","- C198 H192 B6 N6 -","2","1","","Chul Baik; Zachary M. Hudson; Hazem Amarne; Suning Wang","Enhancing the Photochemical Stability of N,C-Chelate Boryl Compounds: C-C Bond Formation versus C=C Bond cis,trans-Isomerization","Journal of the American Chemical Society","2009","131","","14549","14559","10.1021/ja906430s","","","0.71073","MoKα","","0.1993","0.0672","","","0.1325","0.1619","","","","","","0.786","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105131","7.344","0.006","10.456","0.008","19.492","0.015","90","","90.422","0.009","90","","1497","2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H30 I2 O8 -","- C32.32 H30 I2 O8 -","- C64.64 H60 I4 O16 -","2","1","","Hidehiro Suematsu; Tsutomu Katsuki","Iridium(III) Catalyzed Diastereo- and Enantioselective C-H Bond Functionalization","Journal of the American Chemical Society","2009","131","","14218","14219","10.1021/ja9065267","","","0.71073","MoKα","","0.1071","0.1053","","","0.2618","0.263","","","","","","1.244","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105132","27.695","0.008","15.054","0.005","32.739","0.011","90","0.0014","102.696","0.0016","90","0.0014","13316","7","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C78 H84 O6 Si3 -","- C78 H84 O6 Si3 -","- C624 H672 O48 Si24 -","8","2","","Shunsuke Furukawa; Junji Kobayashi; Takayuki Kawashima","Development of a Sila-Friedel-Crafts Reaction and Its Application to the Synthesis of Dibenzosilole Derivatives","Journal of the American Chemical Society","2009","131","","14192","14193","10.1021/ja906566r","","","0.7107","MoKα","","0.1961","0.1489","","","0.3862","0.4551","","","","","","1.58","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105133","18.846","0.0006","17.5996","0.0005","27.546","0.0008","90","","90","","90","","9136.5","0.5","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H72 Ir N O P2 Si -","- C47 H72 Ir N O P2 Si -","- C376 H576 Ir8 N8 O8 P16 Si8 -","8","1","","Erin Morgan; Darren F. MacLean; Robert McDonald; Laura Turculet","Rhodium and Iridium Amido Complexes Supported by Silyl Pincer Ligation: Ammonia N-H Bond Activation by a [PSiP]Ir Complex","Journal of the American Chemical Society","2009","131","","14234","14236","10.1021/ja906646v","","","0.71073","MoKα","","0.0423","0.0236","","","0.0523","0.0618","","","","","","1.088","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105134","11.962","0.0006","18.534","0.0009","18.73","0.001","90","","103.205","0.0006","90","","4042.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 P3 Rh Si -","- C40 H64 P3 Rh Si -","- C160 H256 P12 Rh4 Si4 -","4","1","","Erin Morgan; Darren F. MacLean; Robert McDonald; Laura Turculet","Rhodium and Iridium Amido Complexes Supported by Silyl Pincer Ligation: Ammonia N-H Bond Activation by a [PSiP]Ir Complex","Journal of the American Chemical Society","2009","131","","14234","14236","10.1021/ja906646v","","","0.71073","MoKα","","0.0318","0.0264","","","0.0659","0.0693","","","","","","1.038","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105135","12.0501","0.0006","19.8548","0.001","17.779","0.0009","90","","91.6341","0.0007","90","","4251.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H66 Ir N P2 Si -","- C45 H66 Ir N P2 Si -","- C180 H264 Ir4 N4 P8 Si4 -","4","1","","Erin Morgan; Darren F. MacLean; Robert McDonald; Laura Turculet","Rhodium and Iridium Amido Complexes Supported by Silyl Pincer Ligation: Ammonia N-H Bond Activation by a [PSiP]Ir Complex","Journal of the American Chemical Society","2009","131","","14234","14236","10.1021/ja906646v","","","0.71073","MoKα","","0.0369","0.0262","","","0.0572","0.061","","","","","","1.043","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105136","11.7712","0.0019","17.415","0.003","20.937","0.003","90","","105.739","0.002","90","","4131.1","1.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H62 N P2 Rh Si -","- C43 H62 N P2 Rh Si -","- C172 H248 N4 P8 Rh4 Si4 -","4","1","","Erin Morgan; Darren F. MacLean; Robert McDonald; Laura Turculet","Rhodium and Iridium Amido Complexes Supported by Silyl Pincer Ligation: Ammonia N-H Bond Activation by a [PSiP]Ir Complex","Journal of the American Chemical Society","2009","131","","14234","14236","10.1021/ja906646v","","","0.71073","MoKα","","0.111","0.0519","","","0.1021","0.1241","","","","","","1.009","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105137","11.403","","12.964","","18.047","","74.12","","89.69","","86.76","","2561.8","","213","","213","","","","","","","","","7","P 1","P 1","1","","","","- C132 H94 B2 Cu2 F8 Fe2 N10 -","- C132 H94 B2 Cu2 F8 Fe2 N10 -","- C132 H94 B2 Cu2 F8 Fe2 N10 -","1","1","","Shoko Kume; Kuniharu Nomoto; Tetsuro Kusamoto; Hiroshi Nishihara","Intramolecular Electron Arrangement with a Rotative Trigger","Journal of the American Chemical Society","2009","131","","14198","14199","10.1021/ja906684g","","","0.71073","MoKα","","","0.0527","","","","0.1493","","","","","","1.082","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105138","11.807","0.005","11.176","0.005","40.409","0.005","90","0.005","94.775","0.005","90","0.005","5314","3","213","","213","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H51 B Cu F4 Fe N5 -","- C68 H51 B Cu F4 Fe N5 -","- C272 H204 B4 Cu4 F16 Fe4 N20 -","4","1","","Shoko Kume; Kuniharu Nomoto; Tetsuro Kusamoto; Hiroshi Nishihara","Intramolecular Electron Arrangement with a Rotative Trigger","Journal of the American Chemical Society","2009","131","","14198","14199","10.1021/ja906684g","","","0.71073","MoKα","","","0.072","","","","0.1952","","","","","","1.081","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105139","12.3398","0.0008","12.9936","0.0008","24.7548","0.0016","90","","90","","90","","3969.1","0.4","153","2","153","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H39 Cl5 F Ga N2 P6 -","- C30 H39 Cl5 F Ga N2 P6 -","- C120 H156 Cl20 F4 Ga4 N8 P24 -","4","1","","Michael H. Holthausen; Jan J. Weigand","Preparation of the [(DippNP)~2~(P~4~)~2~]^2+^-Dication by the Reaction of [DippNPCl]2 and a Lewis Acid with P~4~","Journal of the American Chemical Society","2009","131","","14210","14211","10.1021/ja906878q","","","0.71073","MoKα","","0.0291","0.0251","","","0.0608","0.0626","","","","","","1.036","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105140","24.2241","0.0017","11.4374","0.0008","21.2238","0.0015","90","","115.093","0.001","90","","5325.3","0.6","153","2","153","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 Cl14 Ga4 N2 P10 -","- C24 H34 Cl14 Ga4 N2 P10 -","- C96 H136 Cl56 Ga16 N8 P40 -","4","0.5","","Michael H. Holthausen; Jan J. Weigand","Preparation of the [(DippNP)~2~(P~4~)~2~]^2+^-Dication by the Reaction of [DippNPCl]2 and a Lewis Acid with P~4~","Journal of the American Chemical Society","2009","131","","14210","14211","10.1021/ja906878q","","","0.71073","MoKα","","0.0441","0.0301","","","0.0691","0.0745","","","","","","1.022","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105141","57.185","0.003","57.185","0.003","57.185","0.003","90","","90","","90","","187002","17","150","2","150","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","","","","- C23.04 H36.83 Fe7 Na5 O50.92 -","- C22 H14 Fe7 Na2 O45 -","- C2112 H1344 Fe672 Na192 O4320 -","96","1","","Zhi-Ming Zhang; Shuang Yao; Yang-Guang Li; Rodolphe Clérac; Ying Lu; Zhong-Min Su; En-Bo Wang","Protein-Sized Chiral Fe168 Cages with NbO-Type Topology","Journal of the American Chemical Society","2009","131","","14600","14601","10.1021/ja903776h","","","0.71073","MoKα","","0.0883","0.0616","","","0.143","0.1533","","","","","","0.96","","","","has coordinates,has disorder","289031","2024-01-11","08:35:58",""
"4105142","57.1261","0.0017","57.1261","0.0017","57.1261","0.0017","90","","90","","90","","186425","10","150","2","150","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","","","","- C23.04 H36.83 Fe7 Na5 O50.92 -","- C22 H14 Fe7 Na2 O45.5 -","- C2112 H1344 Fe672 Na192 O4368 -","96","1","","Zhi-Ming Zhang; Shuang Yao; Yang-Guang Li; Rodolphe Clérac; Ying Lu; Zhong-Min Su; En-Bo Wang","Protein-Sized Chiral Fe168 Cages with NbO-Type Topology","Journal of the American Chemical Society","2009","131","","14600","14601","10.1021/ja903776h","","","0.71073","MoKα","","0.1018","0.0596","","","0.157","0.2018","","","","","","1.084","","","","has coordinates,has disorder","289031","2024-01-11","08:36:03",""
"4105143","8.6689","0.0013","10.3474","0.0014","10.8645","0.0016","76.576","0.007","67.489","0.007","76.621","0.007","864.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H55 Hf2 I N2 -","- C37.0018 H55.0054 Hf2 I0.9982 N2 -","- C37.0018 H55.0054 Hf2 I0.9982 N2 -","1","0.5","","Donald J. Knobloch; David Benito-Garagorri; Wesley H. Bernskoetter; Ivan Keresztes; Emil Lobkovsky; Hannah Toomey; Paul J. Chirik","Addition of Methyl Triflate to a Hafnocene Dinitrogen Complex: Stepwise N2 Methylation and Conversion to a Hafnocene Hydrazonato Compound","Journal of the American Chemical Society","2009","131","","14903","14912","10.1021/ja904436a","","","0.71073","MoKα","","0.0603","0.0452","","","0.1071","0.111","","","","","","1.082","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105144","13.4973","0.0009","13.4973","0.0009","13.3928","0.0008","90","","90","","90","","2439.9","0.3","150","1","150","1","","","","","","","","5","I 4/m","-I 4","87","","","","- C48 H57 Fe4 O0.5 Si4 -","- C48 H56 Fe4 O0.5 Si4 -","- C96 H112 Fe8 O Si8 -","2","0.125","","David E. Herbert; Joe B. Gilroy; Wing Yan Chan; Laurent Chabanne; Anne Staubitz; Alan J. Lough; Ian Manners","Redox-Active Metallomacrocycles and Cyclic Metallopolymers: Photocontrolled Ring-Opening Oligomerization and Polymerization of Silicon-Bridged [1]Ferrocenophanes Using Substitutionally-Labile Lewis Bases as Initiators","Journal of the American Chemical Society","2009","131","","14958","14968","10.1021/ja904928c","","","0.71073","MoKα","","0.0624","0.0474","","","0.1352","0.146","","","","","","1.084","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105145","12.9003","0.0003","15.3544","0.0004","15.9986","0.0003","69.935","0.013","89.91","0.014","69.945","0.013","2771.8","0.4","150","1","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H70 Fe5 Si5 -","- C60 H70 Fe5 Si5 -","- C120 H140 Fe10 Si10 -","2","1","","David E. Herbert; Joe B. Gilroy; Wing Yan Chan; Laurent Chabanne; Anne Staubitz; Alan J. Lough; Ian Manners","Redox-Active Metallomacrocycles and Cyclic Metallopolymers: Photocontrolled Ring-Opening Oligomerization and Polymerization of Silicon-Bridged [1]Ferrocenophanes Using Substitutionally-Labile Lewis Bases as Initiators","Journal of the American Chemical Society","2009","131","","14958","14968","10.1021/ja904928c","","","0.71073","MoKα","","0.081","0.0466","","","0.1072","0.1236","","","","","","1.03","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105146","9.9248","0.0014","9.9248","0.0014","67.014","0.013","90","","90","","90","","6601","1.8","150","1","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C72 H84 Fe6 Si6 -","- C72 H84 Fe6 Si6 -","- C288 H336 Fe24 Si24 -","4","0.5","","David E. Herbert; Joe B. Gilroy; Wing Yan Chan; Laurent Chabanne; Anne Staubitz; Alan J. Lough; Ian Manners","Redox-Active Metallomacrocycles and Cyclic Metallopolymers: Photocontrolled Ring-Opening Oligomerization and Polymerization of Silicon-Bridged [1]Ferrocenophanes Using Substitutionally-Labile Lewis Bases as Initiators","Journal of the American Chemical Society","2009","131","","14958","14968","10.1021/ja904928c","","","0.71073","MoKα","","0.1014","0.055","","","0.1045","0.1255","","","","","","1.069","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105147","13.3855","0.0003","13.7448","0.0002","27.3253","0.0007","94.058","0.0013","98.887","0.001","113.06","0.0012","4522.19","0.17","150","1","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H98 Fe7 Si7 -","- C84 H98 Fe7 Si7 -","- C168 H196 Fe14 Si14 -","2","1","","David E. Herbert; Joe B. Gilroy; Wing Yan Chan; Laurent Chabanne; Anne Staubitz; Alan J. Lough; Ian Manners","Redox-Active Metallomacrocycles and Cyclic Metallopolymers: Photocontrolled Ring-Opening Oligomerization and Polymerization of Silicon-Bridged [1]Ferrocenophanes Using Substitutionally-Labile Lewis Bases as Initiators","Journal of the American Chemical Society","2009","131","","14958","14968","10.1021/ja904928c","","","0.71073","MoKα","","0.0774","0.0528","","","0.1438","0.1543","","","","","","1.069","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105148","10.653","0.009","12.153","0.009","13.824","0.012","90","","101.614","0.004","90","","1753","2","103.15","","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 O3 P S -","- C18 H27 O3 P S -","- C72 H108 O12 P4 S4 -","4","1","","Shingo Ito; Kagehiro Munakata; Akifumi Nakamura; Kyoko Nozaki","Copolymerization of Vinyl Acetate with Ethylene by Palladium/Alkylphosphine-Sulfonate Catalysts","Journal of the American Chemical Society","2009","131","","14606","14607","10.1021/ja9050839","","","0.7107","MoKα","","0.1114","0.092","","","0.1848","0.195","","","","","","1.208","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105149","13.59","0.003","16.051","0.004","16.89","0.004","90","","111.273","0.0011","90","","3433.2","1.4","103.15","","103","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Cl6 N O3 P Pd S -","- C28 H40 Cl6 N O3 P Pd S -","- C112 H160 Cl24 N4 O12 P4 Pd4 S4 -","4","1","","Shingo Ito; Kagehiro Munakata; Akifumi Nakamura; Kyoko Nozaki","Copolymerization of Vinyl Acetate with Ethylene by Palladium/Alkylphosphine-Sulfonate Catalysts","Journal of the American Chemical Society","2009","131","","14606","14607","10.1021/ja9050839","","","0.7107","MoKα","","0.0335","0.0308","","","0.0721","0.0737","","","","","","1.08","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105150","14.071","0.003","14.362","0.003","17.44","0.004","90","","113.129","0.0008","90","","3241.1","1.2","103.15","","103","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H78 Cl12 N2 O6 P2 Pd2 S2 -","- C48 H78 Cl12 N2 O6 P2 Pd2 S2 -","- C96 H156 Cl24 N4 O12 P4 Pd4 S4 -","2","0.5","","Shingo Ito; Kagehiro Munakata; Akifumi Nakamura; Kyoko Nozaki","Copolymerization of Vinyl Acetate with Ethylene by Palladium/Alkylphosphine-Sulfonate Catalysts","Journal of the American Chemical Society","2009","131","","14606","14607","10.1021/ja9050839","","","0.7107","MoKα","","0.0381","0.0329","","","0.0734","0.0766","","","","","","1.09","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105151","16.0272","0.0011","16.0272","0.0011","59.8917","0.0011","90","","90","","120","","13323.3","1.3","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C54 H90 Co3 N12 Na12 O57 -","- C54 H24 Co3 N12 Na12 O56.99 -","- C324 H144 Co18 N72 Na72 O341.94 -","6","0.166667","","Marie-Claire Dul; Emilio Pardo; Rodrigue Lescouëzec; Lise-Marie Chamoreau; Françoise Villain; Yves Journaux; Rafael Ruiz-García; Joan Cano; Miguel Julve; Francesc Lloret; Jorge Pasán; Catalina Ruiz-Pérez","Redox Switch-Off of the Ferromagnetic Coupling in a Mixed-Spin Tricobalt(II) Triple Mesocate","Journal of the American Chemical Society","2009","131","","14614","14615","10.1021/ja9052202","","x-ray","0.71073","Mokα","","0.161","0.1162","","","0.3119","0.3565","","","","","","1.039","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105152","5.72385","0.0001","14.0831","0.0003","14.9468","0.0003","90","","90","","90","","1204.85","0.04","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C48 H48 N8 O16 -","4","1","","Tomoyuki Mashiko; Naoya Kumagai; Masakatsu Shibasaki","Managing Highly Coordinative Substrates in Asymmetric Catalysis: A Catalytic Asymmetric Amination with a Lanthanum-Based Ternary Catalyst","Journal of the American Chemical Society","2009","131","","14990","14999","10.1021/ja9052653","","","1.54187","CuKα","","","0.0341","","","","0.0962","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105153","10.23","0.002","14.66","0.003","15.92","0.003","90","","101.55","0.03","90","","2339.2","0.8","10","2","10","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","C23H29O5F3S","","- C23 H29 F3 O5 S -","- C23 F3 O5 S -","- C92 F12 O20 S4 -","4","1","","Jörg Hallmann; Wolfgang Morgenroth; Carsten Paulmann; Jav Davaasambuu; Qingyu Kong; Michael Wulff; Simone Techert","Time-Resolved X-ray Diffraction of the Photochromic α-Styrylpyrylium Trifluoromethanesulfonate Crystal Films Reveals Ultrafast Structural Switching","Journal of the American Chemical Society","2009","131","","15018","15025","10.1021/ja905484u","","","0.62","","","0.0436","0.0423","","","0.1103","0.1154","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105154","10.83","0.002","13.87","0.003","16.02","0.003","90","","105.82","0.03","90","","2315.3","0.9","293","2","10","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","C46H58O10F6S2","","- C46 H58 F6 O10 S2 -","- C46 F6 O10 S2 -","- C92 F12 O20 S4 -","2","0.5","","Jörg Hallmann; Wolfgang Morgenroth; Carsten Paulmann; Jav Davaasambuu; Qingyu Kong; Michael Wulff; Simone Techert","Time-Resolved X-ray Diffraction of the Photochromic α-Styrylpyrylium Trifluoromethanesulfonate Crystal Films Reveals Ultrafast Structural Switching","Journal of the American Chemical Society","2009","131","","15018","15025","10.1021/ja905484u","","","0.62","","","0.0495","0.0511","","","0.1414","0.136","","","","","","1.059","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105155","10.23","0.002","14.66","0.003","15.92","0.003","90","","102.9","0.3","90","","2327","3","360","2","360","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 F3 O5 S -","- C46 F6 O10 S2 -","- C184 F24 O40 S8 -","4","1","","Jörg Hallmann; Wolfgang Morgenroth; Carsten Paulmann; Jav Davaasambuu; Qingyu Kong; Michael Wulff; Simone Techert","Time-Resolved X-ray Diffraction of the Photochromic α-Styrylpyrylium Trifluoromethanesulfonate Crystal Films Reveals Ultrafast Structural Switching","Journal of the American Chemical Society","2009","131","","15018","15025","10.1021/ja905484u","","","0.71073","synchrotronradiation","","0.0898","0.0823","","","0.1703","0.1754","","","","","","1.142","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105156","8.235","0.002","26.588","0.006","15.749","0.004","90","","101.539","0.0011","90","","3378.6","1.4","113.1","","113.1","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H47 B N7 O2 Rh S -","- C31 H47 B N7 O2 Rh S -","- C124 H188 B4 N28 O8 Rh4 S4 -","4","1","","Yoshiyuki Misumi; Hidetake Seino; Yasushi Mizobe","Heterolytic Cleavage of Hydrogen Molecule by Rhodium Thiolate Complexes That Catalyze Chemoselective Hydrogenation of Imines under Ambient Conditions","Journal of the American Chemical Society","2009","131","","14636","14637","10.1021/ja905835u","","","0.7107","MoKα","","","0.0341","","","","0.1145","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105157","5.6956","0.0008","11.8505","0.0017","22.719","0.003","90","","90","","90","","1533.4","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","En Zhang; Chun-An Fan; Yong-Qiang Tu; Fu-Min Zhang; Yan-Lin Song","Organocatalytic Asymmetric Vinylogous α-Ketol Rearrangement: Enantioselective Construction of Chiral All-Carbon Quaternary Stereocenters in Spirocyclic Diketones via Semipinacol-Type 1,2-Carbon Migration","Journal of the American Chemical Society","2009","131","","14626","14627","10.1021/ja906291n","","","0.71073","MoKα","","0.0553","0.0411","","","0.0918","0.0987","","","","","","1.043","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105158","11.662","0.006","6.404","0.003","21.73","0.01","90","","97.407","0.008","90","","1609.3","1.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 Br O2 -","- C18 H21 Br O2 -","- C72 H84 Br4 O8 -","4","2","","En Zhang; Chun-An Fan; Yong-Qiang Tu; Fu-Min Zhang; Yan-Lin Song","Organocatalytic Asymmetric Vinylogous α-Ketol Rearrangement: Enantioselective Construction of Chiral All-Carbon Quaternary Stereocenters in Spirocyclic Diketones via Semipinacol-Type 1,2-Carbon Migration","Journal of the American Chemical Society","2009","131","","14626","14627","10.1021/ja906291n","","","0.71073","MoKα","","0.1107","0.0483","","","0.0922","0.1102","","","","","","0.976","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105159","8.1452","0.0006","17.3379","0.0012","24.364","0.0017","90","","90","","90","","3440.7","0.4","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Cl N2 O3 -","- C18 H19 Cl N2 O3 -","- C144 H152 Cl8 N16 O24 -","8","2","","S. Corey Valdez; James L. Leighton","Tandem Asymmetric Aza-Darzens/Ring-Opening Reactions: Dual Functionality from the Silane Lewis Acid","Journal of the American Chemical Society","2009","131","","14638","14639","10.1021/ja9066354","","","0.71073","MoKα","","0.0723","0.054","","","0.1455","0.1595","","","","","","1.044","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105160","5.7656","0.0004","8.9612","0.0006","29.955","0.002","90","","90","","90","","1547.68","0.18","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","","S. Corey Valdez; James L. Leighton","Tandem Asymmetric Aza-Darzens/Ring-Opening Reactions: Dual Functionality from the Silane Lewis Acid","Journal of the American Chemical Society","2009","131","","14638","14639","10.1021/ja9066354","","","0.71073","MoKα","","0.0389","0.0355","","","0.1006","0.1039","","","","","","1.032","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105161","13.6331","0.0009","11.0404","0.0007","22.001","0.0015","90","","102.501","0.001","90","","3233","0.4","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33.5 H42 Br N3 O3 -","- C26 H24 Br N3 O3 -","- C104 H96 Br4 N12 O12 -","4","2","","S. Corey Valdez; James L. Leighton","Tandem Asymmetric Aza-Darzens/Ring-Opening Reactions: Dual Functionality from the Silane Lewis Acid","Journal of the American Chemical Society","2009","131","","14638","14639","10.1021/ja9066354","","","0.71073","MoKα","","0.079","0.0478","","","0.1242","0.1355","","","","","","0.845","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105162","15.742","0.003","26.645","0.005","17.681","0.004","90","","103.16","0.03","90","","7221","3","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H40.5 N1.5 O7 Si -","- C41 H40.5 N1.5 O7 Si -","- C328 H324 N12 O56 Si8 -","8","4","","K. C. Nicolaou; Jochen Becker; Yee Hwee Lim; Alexandre Lemire; Thomas Neubauer; Ana Montero","Total Synthesis and Biological Evaluation of (+)- and (-)-Bisanthraquinone Antibiotic BE-43472B and Related Compounds","Journal of the American Chemical Society","2009","131","","14812","14826","10.1021/ja9073694","","","0.71073","MoKα","","0.1624","0.0925","","","0.2073","0.2501","","","","","","0.985","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105163","11.151","0.002","27.735","0.006","9.5831","0.0019","90","","109.99","0.03","90","","2785.2","1.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 O10 -","- C34 H34 O10 -","- C136 H136 O40 -","4","1","","K. C. Nicolaou; Jochen Becker; Yee Hwee Lim; Alexandre Lemire; Thomas Neubauer; Ana Montero","Total Synthesis and Biological Evaluation of (+)- and (-)-Bisanthraquinone Antibiotic BE-43472B and Related Compounds","Journal of the American Chemical Society","2009","131","","14812","14826","10.1021/ja9073694","","","0.71073","MoKα","","0.1025","0.0575","","","0.1309","0.1534","","","","","","1.008","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105164","12.657","0.003","14.294","0.003","28.298","0.006","90","","90","","90","","5120","2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H22 O9 -","- C32 H22 O9 -","- C256 H176 O72 -","8","2","","K. C. Nicolaou; Jochen Becker; Yee Hwee Lim; Alexandre Lemire; Thomas Neubauer; Ana Montero","Total Synthesis and Biological Evaluation of (+)- and (-)-Bisanthraquinone Antibiotic BE-43472B and Related Compounds","Journal of the American Chemical Society","2009","131","","14812","14826","10.1021/ja9073694","","","0.71073","MoKα","","0.1375","0.0904","","","0.1804","0.2038","","","","","","1.106","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105165","12.608","0.003","14.246","0.003","28.197","0.006","90","","90","","90","","5064.6","1.9","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H22 O9 -","- C32 H22 O9 -","- C256 H176 O72 -","8","2","","K. C. Nicolaou; Jochen Becker; Yee Hwee Lim; Alexandre Lemire; Thomas Neubauer; Ana Montero","Total Synthesis and Biological Evaluation of (+)- and (-)-Bisanthraquinone Antibiotic BE-43472B and Related Compounds","Journal of the American Chemical Society","2009","131","","14812","14826","10.1021/ja9073694","","","0.71073","MoKα","","0.1161","0.0769","","","0.1444","0.1604","","","","","","1.114","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4105166","13.416","0.003","13.731","0.003","15.84","0.003","66.45","0.007","81.445","0.008","88.26","0.008","2643.8","1","153","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50.54 H50 F12 N10 O4 P2 Ru2 -","- C50.518 H50 F12 N10 O4 P2 Ru2 -","- C101.036 H100 F24 N20 O8 P4 Ru4 -","2","1","","Fernando Bozoglian; Sophie Romain; Mehmed Z. Ertem; Tanya K. Todorova; Cristina Sens; Joaquim Mola; Montserrat Rodríguez; Isabel Romero; Jordi Benet-Buchholz; Xavier Fontrodona; Christopher J. Cramer; Laura Gagliardi; Antoni Llobet","The Ru-Hbpp Water Oxidation Catalyst","Journal of the American Chemical Society","2009","131","","15176","15187","10.1021/ja9036127","","","0.71073","MoKα","","0.0562","0.0437","","","0.119","0.1262","","","","","","1.052","","","","has coordinates,has disorder","288243","2023-12-12","09:57:14",""
"4105167","9.327","0.003","15.377","0.005","35.421","0.011","90","","90","","90","","5080","3","300","2","300","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C44 H31 F16 N10 O3 P2 Ru2 S -","- C44 H31 F16 N10 O3 P2 Ru2 S -","- C176 H124 F64 N40 O12 P8 Ru8 S4 -","4","0.5","","Fernando Bozoglian; Sophie Romain; Mehmed Z. Ertem; Tanya K. Todorova; Cristina Sens; Joaquim Mola; Montserrat Rodríguez; Isabel Romero; Jordi Benet-Buchholz; Xavier Fontrodona; Christopher J. Cramer; Laura Gagliardi; Antoni Llobet","The Ru-Hbpp Water Oxidation Catalyst","Journal of the American Chemical Society","2009","131","","15176","15187","10.1021/ja9036127","","","0.71073","MoKα","","0.2306","0.1037","","","0.241","0.3152","","","","","","1.041","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105168","12.973","0.005","16.288","0.006","25.794","0.01","90","","90","","90","","5450","4","573","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H36 Cl4 N10 O14 Ru2 -","- C46 H36 Cl4 N10 O14 Ru2 -","- C184 H144 Cl16 N40 O56 Ru8 -","4","1","","Fernando Bozoglian; Sophie Romain; Mehmed Z. Ertem; Tanya K. Todorova; Cristina Sens; Joaquim Mola; Montserrat Rodríguez; Isabel Romero; Jordi Benet-Buchholz; Xavier Fontrodona; Christopher J. Cramer; Laura Gagliardi; Antoni Llobet","The Ru-Hbpp Water Oxidation Catalyst","Journal of the American Chemical Society","2009","131","","15176","15187","10.1021/ja9036127","","","0.71073","MoKα","","0.0928","0.0563","","","0.1444","0.1637","","","","","","0.987","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105169","24.3673","0.0009","24.3673","0.0009","10.6844","0.0013","90","","90","","120","","5494.1","0.7","293","2","293","2","","","","","","","","4","P 65","P 65","170","Boc-D-Pro-Aib-Leu-Aib-Val-OMe","t-Butyloxycarbonyl-D-prolyl-alpha-aminoisobutyryl-leucyl -alpha-aminoisobutyryl-valyl-methyl ester","","- C30 H53 N5 O8 -","- C30 H53 N5 O8 -","- C180 H318 N30 O48 -","6","1","","Upadhyayula S. Raghavender; Subrayashastry Aravinda; Narayanaswamy Shamala; Rajkishor Rai; Padmanabhan Balaram","Characterization of Water Wires inside Hydrophobic Tubular Peptide Structures","Journal of the American Chemical Society","2009","131","","15130","15132","10.1021/ja9038906","","","0.71073","MoKα","","0.2226","0.0671","","","0.1446","0.2053","","","","","","0.932","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105170","24.292","0.0013","24.292","0.0013","10.4838","0.0011","90","","90","","120","","5357.7","0.7","293","2","293","2","","","","","","","","4","P 65","P 65","170","Boc-D-Pro-Aib-Val-Aib-Val-OMe","t-Butyloxycarbonyl-D-prolyl-alpha-aminoisobutyryl-valyl -alpha-aminoisobutyryl-valyl-methyl ester","","- C29 H51 N5 O9 -","- C29 H51 N5 O9 -","- C174 H306 N30 O54 -","6","1","","Upadhyayula S. Raghavender; Subrayashastry Aravinda; Narayanaswamy Shamala; Rajkishor Rai; Padmanabhan Balaram","Characterization of Water Wires inside Hydrophobic Tubular Peptide Structures","Journal of the American Chemical Society","2009","131","","15130","15132","10.1021/ja9038906","","","0.71073","MoKα","","0.0715","0.0554","","","0.1546","0.1765","","","","","","0.88","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105171","24.3161","0.0003","24.3161","0.0003","10.4805","0.0001","90","","90","","120","","5366.62","0.11","293","2","293","2","","","","","","","","4","P 65","P 65","170","Boc-D-Pro-Aib-Val-Aib-Val-OMe","t-Butyloxycarbonyl-D-prolyl-alpha-aminoisobutyryl-valyl -alpha-aminoisobutyryl-valyl-methyl ester","","- C29 H51 N5 O8.17 -","- C29 H51 N5 O8.17 -","- C174 H306 N30 O49.02 -","6","1","","Upadhyayula S. Raghavender; Subrayashastry Aravinda; Narayanaswamy Shamala; Rajkishor Rai; Padmanabhan Balaram","Characterization of Water Wires inside Hydrophobic Tubular Peptide Structures","Journal of the American Chemical Society","2009","131","","15130","15132","10.1021/ja9038906","","","1.54178","CuKα","","0.0637","0.0617","","","0.1844","0.1855","","","","","","1.039","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105172","16.996","0.005","12.515","0.005","16.344","0.005","90","0.005","100.107","0.005","90","0.005","3423","2","297","2","297","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H20 N2 O S -","- C19 H20 N2 O S -","- C152 H160 N16 O8 S8 -","8","2","","Nan Li; Xiao-Hua Chen; Jin Song; Shi-Wei Luo; Wu Fan; Liu-Zhu Gong","Highly Enantioselective Organocatalytic Biginelli and Biginelli-Like Condensations: Reversal of the Stereochemistry by Tuning the 3,3'-Disubstituents of Phosphoric Acids","Journal of the American Chemical Society","2009","131","","15301","15310","10.1021/ja905320q","","","1.54184","CuKα","","0.0436","0.0401","","","0.0741","0.0756","","","","","","0.999","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105173","12.782","0.005","11.75","0.005","13.392","0.005","90","0.005","98.644","0.005","90","0.005","1988.5","1.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 Br N2 S -","- C20 H21 Br N2 S -","- C80 H84 Br4 N8 S4 -","4","2","","Nan Li; Xiao-Hua Chen; Jin Song; Shi-Wei Luo; Wu Fan; Liu-Zhu Gong","Highly Enantioselective Organocatalytic Biginelli and Biginelli-Like Condensations: Reversal of the Stereochemistry by Tuning the 3,3'-Disubstituents of Phosphoric Acids","Journal of the American Chemical Society","2009","131","","15301","15310","10.1021/ja905320q","","","1.54184","CuKα","","0.0593","0.0353","","","0.0624","0.0676","","","","","","1.006","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105174","8.328","0.002","10.116","0.003","7.2451","0.0019","90","","91.338","0.004","90","","610.2","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 Ba O6 -","- C4 H4 Ba O6 -","- C16 H16 Ba4 O24 -","4","1","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.0341","0.0326","","","0.0819","0.0831","","","","","","1.074","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105175","10.8268","0.0007","9.9887","0.0007","8.525","0.0006","90","","126.588","0.001","90","","740.27","0.09","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H6 Ba O7 -","- C4 H6 Ba O7 -","- C16 H24 Ba4 O28 -","4","0.5","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.0216","0.0214","","","0.0508","0.0508","","","","","","1.045","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105176","17.593","0.006","7.906","0.003","9.462","0.003","90","","121.066","0.005","90","","1127.3","0.7","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 Ca O6 -","- C4 H4 Ca O6 -","- C32 H32 Ca8 O48 -","8","1","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.041","0.0344","","","0.0822","0.0872","","","","","","1.061","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105177","6.2584","0.0015","8.251","0.002","10.448","0.003","94.887","0.006","105.914","0.006","107.662","0.005","486","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H12 Ca O10 -","- C4 H12 Ca O10 -","- C8 H24 Ca2 O20 -","2","1","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.0746","0.0517","","","0.1211","0.1284","","","","","","1.015","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105178","7.6418","0.001","9.9656","0.0013","7.2395","0.0009","90","","90","","90","","551.33","0.12","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C4 H4 Ca O6 -","- C4 H4 Ca O6 -","- C16 H16 Ca4 O24 -","4","0.5","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.0477","0.0468","","","0.1201","0.1213","","","","","","1.063","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105179","6.4031","0.0006","8.4315","0.0008","10.4933","0.001","95.196","0.002","106.402","0.002","107.052","0.002","510.2","0.08","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H12 O10 Sr -","- C4 H12 O10 Sr -","- C8 H24 O20 Sr2 -","2","1","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.0384","0.0302","","","0.068","0.0705","","","","","","1.03","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105180","6.482","0.0007","7.977","0.0008","16.6234","0.0017","90","","95.501","0.002","90","","855.59","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 Ba O8 -","- C4 H8 Ba O8 -","- C16 H32 Ba4 O32 -","4","1","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.0419","0.0336","","","0.085","0.0904","","","","","","1.096","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105181","18.7973","0.0016","5.1127","0.0004","18.5512","0.0016","90","","104.305","0.002","90","","1727.6","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H9 Ba O8.5 -","- C4 H9 Ba O8.5 -","- C32 H72 Ba8 O68 -","8","1","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.0588","0.0375","","","0.0678","0.072","","","","","","1.037","","","","has coordinates","271679","2022-01-02","08:39:52",""
"4105182","6.6143","0.0005","7.1191","0.0005","7.8433","0.0006","90","","98.334","0.002","90","","365.42","0.05","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H6 O7 Sr -","- C4 H6 O7 Sr -","- C8 H12 O14 Sr2 -","2","1","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.057","0.0554","","","0.137","0.1392","","","","","","1.069","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105183","18.306","0.003","8.0984","0.0013","9.6058","0.0015","90","","121.334","0.003","90","","1216.4","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 O6 Sr -","- C4 H4 O6 Sr -","- C32 H32 O48 Sr8 -","8","1","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.0786","0.0455","","","0.094","0.1081","","","","","","1.045","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105184","7.8865","0.001","10.0448","0.001","7.5186","0.0008","90","","90","","90","","595.61","0.12","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C4 H4 O6 Sr -","- C4 H4 O6 Sr -","- C16 H16 O24 Sr4 -","4","0.5","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.0274","0.0265","","","0.0677","0.0683","","","","","","1.087","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105185","13.8313","0.0007","14.4109","0.0007","22.1159","0.001","90","","91.609","0.001","90","","4406.4","0.4","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Ar[tBu]N)3Mo(N=c(NMe2)(SPh))","","","- C45 H65 Mo N5 S -","- C45 H65 Mo N5 S -","- C180 H260 Mo4 N20 S4 -","4","1","","Meaghan E. Germain; Manuel Temprado; Annie Castonguay; Olga P. Kryatova; Elena V. Rybak-Akimova; John J. Curley; Arjun Mendiratta; Yi-Chou Tsai; Christopher C. Cummins; Rajeev Prabhakar; James E. McDonough; Carl D. Hoff","Coordination-Mode Control of Bound Nitrile Radical Complex Reactivity: Intercepting End-on Nitrile-Mo(III) Radicals at Low Temperature","Journal of the American Chemical Society","2009","131","","15412","15423","10.1021/ja905849a","","","0.71073","MoKα","","0.0448","0.0356","","","0.0878","0.0936","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105186","21.7964","0.0002","13.1712","0.0002","25.5387","0.0003","90","","113.759","0.0005","90","","6710.37","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H70 B F26 P2 Rh -","- C62 H70 B F26 P2 Rh -","- C248 H280 B4 F104 P8 Rh4 -","4","1","","Thomas M. Douglas; Adrian B. Chaplin; Andrew S. Weller; Xinzheng Yang; Michael B. Hall","Monomeric and Oligomeric Amine-Borane σ-Complexes of Rhodium. Intermediates in the Catalytic Dehydrogenation of Amine-Boranes","Journal of the American Chemical Society","2009","131","","15440","15456","10.1021/ja906070r","","","0.71073","MoKα","","0.1291","0.0906","","","0.2499","0.2825","","","","","","1.023","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105187","50.6131","0.0004","19.6787","0.0002","14.3994","0.0001","90","","90","","90","","14341.8","0.2","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C60 H84 B3 F24 N2 P2 Rh -","- C60 H84 B3 F24 N2 P2 Rh -","- C480 H672 B24 F192 N16 P16 Rh8 -","8","2","","Thomas M. Douglas; Adrian B. Chaplin; Andrew S. Weller; Xinzheng Yang; Michael B. Hall","Monomeric and Oligomeric Amine-Borane σ-Complexes of Rhodium. Intermediates in the Catalytic Dehydrogenation of Amine-Boranes","Journal of the American Chemical Society","2009","131","","15440","15456","10.1021/ja906070r","","","0.71073","MoKα","","0.0718","0.0563","","","0.1357","0.1465","","","","","","1.076","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105188","11.5072","0.0006","16.0988","0.0008","17.1281","0.0008","76.541","0.003","72.712","0.003","77.066","0.004","2905.3","0.3","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C120 H85 F36 N12 O18.5 -","- C120 H84 F22.8 N12 O18.5 -","- C120 H84 F22.8 N12 O18.5 -","1","1","","Sylvain Koeller; Joji Kadota; Alain Deffieux; Frédéric Peruch; Stéphane Massip; Jean-Michel Léger; Jean-Pierre Desvergne; Brigitte Bibal","Ring-Opening Polymerization of l-Lactide Efficiently Triggered by an Amido-Indole. X-ray Structure of a Complex betweenl-Lactide and the Hydrogen-Bonding Organocatalyst","Journal of the American Chemical Society","2009","131","","15088","15089","10.1021/ja906119t","","","1.5418","CuKα","","0.2294","0.1435","","","0.37","0.4685","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105189","6.0401","0.0006","16.3369","0.0017","16.3744","0.0017","62.3777","0.0013","88.881","0.0014","84.8132","0.0014","1425.3","0.3","148","2","148","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","2","","Matthew S. Dowling; Christopher D. Vanderwal","Ring-Closing Metathesis of Allylsilanes/Electrophilic Desilylation To Prepareexo-Methylidenecycloalkanes. Short Syntheses of Teucladiol and Poitediol","Journal of the American Chemical Society","2009","131","","15090","15091","10.1021/ja906241w","","","0.71073","MoKα","","0.0749","0.0472","","","0.103","0.1145","","","","","","1.037","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105190","11.2195","0.0008","33.928","0.002","16.4312","0.0011","90","","107.115","0.005","90","","5977.6","0.7","248","2","248","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66.5 H14 Cl F30 O4.5 S2 -","- C66.5 H13 Cl F30 O4.5 S1.999 -","- C266 H52 Cl4 F120 O18 S7.996 -","4","1","","J. Sreedhar Reddy; Venkataramanarao G. Anand","Aromatic Expanded Isophlorins: Stable 30π Annulene Analogues with Diverse Structural Features","Journal of the American Chemical Society","2009","131","","15433","15439","10.1021/ja906290d","","","0.71073","MoKα","","0.1374","0.0973","","","0.2476","0.2821","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105191","24.7594","0.0008","7.9014","0.0003","21.7277","0.0006","90","","90","","90","","4250.7","0.2","173","2","173","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C66 H22 F30 O8 S3 -","- C66 H12 F30 O8.004 S3 -","- C132 H24 F60 O16.008 S6 -","2","0.25","","J. Sreedhar Reddy; Venkataramanarao G. Anand","Aromatic Expanded Isophlorins: Stable 30π Annulene Analogues with Diverse Structural Features","Journal of the American Chemical Society","2009","131","","15433","15439","10.1021/ja906290d","","","0.71073","MoKα","","0.1582","0.1161","","","0.2816","0.3325","","","","","","1.383","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105192","9.7036","0.0004","12.8407","0.0005","15.7989","0.0006","101.927","0.002","92.695","0.002","94.785","0.002","1915.18","0.13","248","2","248","2","","","","","","","","6","P 1","P 1","1","","","","- C70 H16 Cl12 F30 S3 Se3 -","- C70 H16 Cl12 F30 S3 Se3 -","- C70 H16 Cl12 F30 S3 Se3 -","1","1","","J. Sreedhar Reddy; Venkataramanarao G. Anand","Aromatic Expanded Isophlorins: Stable 30π Annulene Analogues with Diverse Structural Features","Journal of the American Chemical Society","2009","131","","15433","15439","10.1021/ja906290d","","","0.71073","MoKα","","0.1058","0.0505","","","0.1238","0.1523","","","","","","1.015","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105193","9.4066","0.001","13.0693","0.0014","15.5194","0.0017","103.922","0.002","90.72","0.002","96.358","0.002","1839","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H16 Cl12 F30 S6 -","- C70.002 H16.002 Cl12 F30 S6 -","- C70.002 H16.002 Cl12 F30 S6 -","1","0.5","","J. Sreedhar Reddy; Venkataramanarao G. Anand","Aromatic Expanded Isophlorins: Stable 30π Annulene Analogues with Diverse Structural Features","Journal of the American Chemical Society","2009","131","","15433","15439","10.1021/ja906290d","","","0.71073","MoKα","","0.0679","0.0544","","","0.1059","0.1134","","","","","","0.809","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105194","9.7879","0.0003","12.8233","0.0004","15.7687","0.0006","102.336","0.002","92.709","0.002","94.913","0.002","1922","0.11","248","2","248","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H16 Cl12 F30 S4 Se2 -","- C70 H16 Cl12 F30 S4 Se2 -","- C70 H16 Cl12 F30 S4 Se2 -","1","0.5","","J. Sreedhar Reddy; Venkataramanarao G. Anand","Aromatic Expanded Isophlorins: Stable 30π Annulene Analogues with Diverse Structural Features","Journal of the American Chemical Society","2009","131","","15433","15439","10.1021/ja906290d","","","0.71073","MoKα","","0.0883","0.0598","","","0.1631","0.1835","","","","","","1.024","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105195","14.7891","0.0015","10.9697","0.0011","13.8057","0.0015","90","","111.807","0.002","90","","2079.5","0.4","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C24 H64 As N4 P5 Si4 -","- C24 H64 As0.934 N4 P4.934 Si4 -","- C48 H128 As1.868 N8 P9.868 Si8 -","2","1","","Brandi M. Cossairt; Christopher C. Cummins","Properties and Reactivity Patterns of AsP3: An Experimental and Computational Study of Group 15 Elemental Molecules","Journal of the American Chemical Society","2009","131","","15501","15511","10.1021/ja906294m","","","0.71073","MoKα","","0.0741","0.0513","","","0.1123","0.1258","","","","","","1.032","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105196","22.7716","0.0005","22.7817","0.0004","24.361","0.0008","101.588","0.001","101.552","0.001","113.098","0.001","10828","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","AsP3FeCp*(dppe)","","","- C60 H59 As B Cl0.75 Fe P5 -","- C60.75 H60.5 As B Cl1.5 Fe P5 -","- C486 H484 As8 B8 Cl12 Fe8 P40 -","8","4","","Brandi M. Cossairt; Christopher C. Cummins","Properties and Reactivity Patterns of AsP3: An Experimental and Computational Study of Group 15 Elemental Molecules","Journal of the American Chemical Society","2009","131","","15501","15511","10.1021/ja906294m","","","1.54178","CuKα","","0.0806","0.0668","","","0.1771","0.1871","","","","","","1.052","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105197","12.202","0.002","9.2582","0.0015","17.37","0.003","90","","96.076","0.003","90","","1951.2","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Br O4 -","- C22 H23 Br O4 -","- C88 H92 Br4 O16 -","4","1","","Dixit Parmar; Lorna A. Duffy; Dhandapani V. Sadasivam; Hiroshi Matsubara; Paul A. Bradley; Robert A. Flowers; David J. Procter","Studies on the Mechanism, Selectivity, and Synthetic Utility of Lactone Reduction Using SmI2 and H2O","Journal of the American Chemical Society","2009","131","","15467","15473","10.1021/ja906396u","","","0.71073","MoKα","","0.0422","0.0312","","","0.0741","0.0784","","","","","","1.021","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105198","34.548","0.002","14.5329","0.001","19.1876","0.0013","90","","78.504","0.002","90","","9440.5","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium tetrahydrofuran Uranium(IV) hexakis(benzyl)","","- C52 H58 K2 O2.5 U -","- C52 H58 K2 O2.5 U -","- C416 H464 K16 O20 U8 -","8","2","","Skye Fortier; Brent C. Melot; Guang Wu; Trevor W. Hayton","Homoleptic Uranium(IV) Alkyl Complexes: Synthesis and Characterization","Journal of the American Chemical Society","2009","131","","15512","15521","10.1021/ja906516e","","","0.71073","MoKα","","0.1429","0.0976","","","0.2363","0.2492","","","","","","1.121","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4105199","10.9396","0.0008","28.544","0.002","32.502","0.002","90","","90","","90","","10149.1","1.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Uranium(IV) pentakis(methylenetrimethylsilane) lithium dodecakis(tert-butoxide) chloride","","- C68 H163 Cl Li14 O12 Si5 U -","- C68 H163 Cl Li14 O12 Si5 U -","- C272 H652 Cl4 Li56 O48 Si20 U4 -","4","1","","Skye Fortier; Brent C. Melot; Guang Wu; Trevor W. Hayton","Homoleptic Uranium(IV) Alkyl Complexes: Synthesis and Characterization","Journal of the American Chemical Society","2009","131","","15512","15521","10.1021/ja906516e","","","0.71073","MoKα","","0.0751","0.0448","","","0.0928","0.1116","","","","","","0.923","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105200","10.4775","0.0013","16.944","0.002","13.7753","0.0017","90","","103.39","0.002","90","","2379.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Lithium tetrakis(tetrahydrofuran) pentakis(neopentyl) uranium(IV)","","- C41 H37 Li O4 U -","- C41 Li O4 U -","- C82 Li2 O8 U2 -","2","0.5","","Skye Fortier; Brent C. Melot; Guang Wu; Trevor W. Hayton","Homoleptic Uranium(IV) Alkyl Complexes: Synthesis and Characterization","Journal of the American Chemical Society","2009","131","","15512","15521","10.1021/ja906516e","","","0.71073","MoKα","","0.0663","0.0534","","","0.1377","0.158","","","","","","1.106","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105201","13.9454","0.0017","15.3124","0.0016","25.567","0.003","90","","90","","90","","5459.5","1.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Lithium bis(tetramethylethylenediamine) hexamethyl Uranium(IV)","","- C18 H50 Li2 N4 U -","- C18 H38 Li2 N4 U -","- C144 H304 Li16 N32 U8 -","8","1","","Skye Fortier; Brent C. Melot; Guang Wu; Trevor W. Hayton","Homoleptic Uranium(IV) Alkyl Complexes: Synthesis and Characterization","Journal of the American Chemical Society","2009","131","","15512","15521","10.1021/ja906516e","","","0.71073","MoKα","","0.1031","0.0568","","","0.129","0.1528","","","","","","1.075","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105202","16.9278","0.0018","7.4154","0.0008","35.492","0.004","90","","95.125","0.002","90","","4437.4","0.8","203","2","203","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H19 Br I N O4 -","- C20 H19 Br I N O4 -","- C160 H152 Br8 I8 N8 O32 -","8","4","","David B. Guthrie; Steven J. Geib; Dennis P. Curran","Synthesis of Highly Enantioenriched 3,4-Dihydroquinolin-2-ones by 6-Exo-trig Radical Cyclizations of Axially Chiral α-Halo-ortho-alkenyl Anilides","Journal of the American Chemical Society","2009","131","","15492","15500","10.1021/ja9066282","","","0.71073","MoKα","","0.1007","0.0764","","","0.1861","0.1965","","","","","","1.298","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105203","10.5601","0.0018","7.3873","0.0013","14.727","0.003","90","","101.49","0.004","90","","1125.8","0.4","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 Br N O4 -","- C24 H28 Br N O4 -","- C48 H56 Br2 N2 O8 -","2","1","","David B. Guthrie; Steven J. Geib; Dennis P. Curran","Synthesis of Highly Enantioenriched 3,4-Dihydroquinolin-2-ones by 6-Exo-trig Radical Cyclizations of Axially Chiral α-Halo-ortho-alkenyl Anilides","Journal of the American Chemical Society","2009","131","","15492","15500","10.1021/ja9066282","","","0.71073","MoKα","","0.0747","0.05","","","0.1159","0.1338","","","","","","0.823","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105204","12.012","0.003","9.305","0.002","22.056","0.005","90","","101.822","0.005","90","","2412.9","1","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 N O5 -","- C27 H33 N O5 -","- C108 H132 N4 O20 -","4","1","","David B. Guthrie; Steven J. Geib; Dennis P. Curran","Synthesis of Highly Enantioenriched 3,4-Dihydroquinolin-2-ones by 6-Exo-trig Radical Cyclizations of Axially Chiral α-Halo-ortho-alkenyl Anilides","Journal of the American Chemical Society","2009","131","","15492","15500","10.1021/ja9066282","","","0.71073","MoKα","","0.1066","0.057","","","0.1323","0.1537","","","","","","0.922","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105205","34.444","0.003","34.444","0.003","46.286","0.006","90","","90","","120","","47556","9","200","2","200","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Na7[(V=O)7Na7(H2O)7(b-CD)2].65H2O (1)","","- C84 H256 Na14 O149 V7 -","- C84 H112 Na7 O84 V7 -","- C756 H1008 Na63 O756 V63 -","9","0.5","","Norihisa Hoshino; Motohiro Nakano; Hiroyuki Nojiri; Wolfgang Wernsdorfer; Hiroki Oshio","Templating Odd Numbered Magnetic Rings: Oxovanadium Heptagons Sandwiched by β-Cyclodextrins","Journal of the American Chemical Society","2009","131","","15100","15101","10.1021/ja9066496","","","0.71073","MoKα","","0.104","0.0709","","","0.1761","0.1912","","","","","","0.924","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105206","21.322","0.008","18.694","0.007","23.798","0.009","90","","100.184","0.006","90","","9336","6","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Na7[(V=O)7Na7(H2O)7(b-CD)2].39H2O (2)","","- C84 H204 Na14 O123 V7 -","- C84 H112 Na7 O84 V7 -","- C168 H224 Na14 O168 V14 -","2","1","","Norihisa Hoshino; Motohiro Nakano; Hiroyuki Nojiri; Wolfgang Wernsdorfer; Hiroki Oshio","Templating Odd Numbered Magnetic Rings: Oxovanadium Heptagons Sandwiched by β-Cyclodextrins","Journal of the American Chemical Society","2009","131","","15100","15101","10.1021/ja9066496","","","0.71073","MoKα","","0.1137","0.0772","","","0.1925","0.2067","","","","","","0.883","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105207","12.589","0.002","14.928","0.003","15.567","0.003","90","","90","","90","","2925.5","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H20 N2 S -","- C15 H20 N2 S -","- C120 H160 N16 S8 -","8","1","","Zitao Wang; Yang Wang; Wen-Xiong Zhang; Zhaomin Hou; Zhenfeng Xi","Efficient One-Pot Synthesis of 2,3-Dihydropyrimidinthiones via Multicomponent Coupling of Terminal Alkynes, Elemental Sulfur, and Carbodiimides","Journal of the American Chemical Society","2009","131","","15108","15109","10.1021/ja9069419","","","0.71073","MoKα","","0.0704","0.0379","","","0.0661","0.0713","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105208","23.185","0.007","9.352","0.003","18.826","0.006","90","","121.493","0.018","90","","3481","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H58 Ca O2 Si6 -","- C22 H58 Ca O2 Si6 -","- C88 H232 Ca4 O8 Si24 -","4","0.5","","KaKing Yan; Brianna M. Upton; Arkady Ellern; Aaron D. Sadow","Lewis Acid-Mediated β-Hydride Abstraction Reactions of Divalent M(C(SiHMe2)3)2THF2(M = Ca, Yb)","Journal of the American Chemical Society","2009","131","","15110","15111","10.1021/ja9070865","","","0.71073","MoKα","","0.1185","0.0804","","","0.1921","0.2165","","","","","","1.037","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105209","11.0485","0.0015","23.131","0.003","15.359","0.002","90","","96.616","0.002","90","","3899.1","0.9","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 B Ca F15 O2 Si3 -","- C33 H38 B Ca F15 O2 Si3 -","- C132 H152 B4 Ca4 F60 O8 Si12 -","4","1","","KaKing Yan; Brianna M. Upton; Arkady Ellern; Aaron D. Sadow","Lewis Acid-Mediated β-Hydride Abstraction Reactions of Divalent M(C(SiHMe2)3)2THF2(M = Ca, Yb)","Journal of the American Chemical Society","2009","131","","15110","15111","10.1021/ja9070865","","","0.71073","MoKα","","0.0626","0.0418","","","0.099","0.1093","","","","","","1.013","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105210","8.512","0.007","8.569","0.007","9.253","0.009","104.555","0.019","91.47","0.02","114.49","0.02","588","0.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H40 Si6 -","- C14 H40 Si6 -","- C14 H40 Si6 -","1","0.5","","KaKing Yan; Brianna M. Upton; Arkady Ellern; Aaron D. Sadow","Lewis Acid-Mediated β-Hydride Abstraction Reactions of Divalent M(C(SiHMe2)3)2THF2(M = Ca, Yb)","Journal of the American Chemical Society","2009","131","","15110","15111","10.1021/ja9070865","","","0.71073","MoKα","","0.1016","0.0771","","","0.1992","0.2429","","","","","","1.034","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105211","22.792","0.012","9.284","0.004","18.655","0.01","90","","121.189","0.016","90","","3377","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H58 O2 Si6 Yb -","- C22 H58 O2 Si6 Yb -","- C88 H232 O8 Si24 Yb4 -","4","0.5","","KaKing Yan; Brianna M. Upton; Arkady Ellern; Aaron D. Sadow","Lewis Acid-Mediated β-Hydride Abstraction Reactions of Divalent M(C(SiHMe2)3)2THF2(M = Ca, Yb)","Journal of the American Chemical Society","2009","131","","15110","15111","10.1021/ja9070865","","","0.71073","MoKα","","0.048","0.0329","","","0.0627","0.0684","","","","","","1.029","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105212","10.2093","0.0008","15.3491","0.0012","24.6786","0.0019","90","","90","","90","","3867.2","0.5","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Yb(HBPh3)2THF","bis(hydridotriphenylborato)tetrahydrofuran ytterbium(II)","","- C47 H48 B2 O Yb -","- C47 H48 B2 O Yb -","- C188 H192 B8 O4 Yb4 -","4","1","","KaKing Yan; Brianna M. Upton; Arkady Ellern; Aaron D. Sadow","Lewis Acid-Mediated β-Hydride Abstraction Reactions of Divalent M(C(SiHMe2)3)2THF2(M = Ca, Yb)","Journal of the American Chemical Society","2009","131","","15110","15111","10.1021/ja9070865","","","0.71073","MoKα","","0.0279","0.024","","","0.0544","0.0559","","","","","","1.006","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105213","11.0583","0.0007","23.1942","0.0014","15.371","0.0009","90","","97.032","0.001","90","","3912.8","0.4","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 B F15 O2 Si3 Yb -","- C33 H38 B F15 O2 Si3 Yb -","- C132 H152 B4 F60 O8 Si12 Yb4 -","4","1","","KaKing Yan; Brianna M. Upton; Arkady Ellern; Aaron D. Sadow","Lewis Acid-Mediated β-Hydride Abstraction Reactions of Divalent M(C(SiHMe2)3)2THF2(M = Ca, Yb)","Journal of the American Chemical Society","2009","131","","15110","15111","10.1021/ja9070865","","","0.71073","MoKα","","0.0262","0.0215","","","0.0526","0.0549","","","","","","1.032","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105214","9.98","0.0004","21.6272","0.0007","17.1","0.0007","90","","90.7161","0.0013","90","","3690.6","0.2","123","2","123","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","tetraallyl-C60","","","- C72 H20 -","- C72 H20 -","- C288 H80 -","4","1","","Masakazu Nambo; Atsushi Wakamiya; Shigehiro Yamaguchi; Kenichiro Itami","Regioselective Unsymmetrical Tetraallylation of C60 through Palladium Catalysis","Journal of the American Chemical Society","2009","131","","15112","15113","10.1021/ja9071173","","","0.71069","MoKa","","0.1915","0.095","","","0.23","0.2943","","","","","","1.024","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105215","16.505","0.005","10.134","0.003","20.035","0.006","90","","109.164","0.004","90","","3165.4","1.6","123","2","123","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","1,2-diallyl-C60","","","- C66 H10 -","- C66 H10 -","- C264 H40 -","4","1","","Masakazu Nambo; Atsushi Wakamiya; Shigehiro Yamaguchi; Kenichiro Itami","Regioselective Unsymmetrical Tetraallylation of C60 through Palladium Catalysis","Journal of the American Chemical Society","2009","131","","15112","15113","10.1021/ja9071173","","","0.7107","MoKa","","0.1484","0.1226","","","0.344","0.363","","","","","","1.318","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105216","12.0154","0.0013","10.6506","0.0011","13.5976","0.0014","90","","94.059","0.002","90","","1735.7","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H44 Cl2 N2 Ru -","- C37 H46 Cl2 N2 Ru -","- C74 H92 Cl4 N4 Ru2 -","2","1","","Kung-Pern Wang; Sang Young Yun; Daesung Lee; Donald J. Wink","Structure and Reactivity of Alkyne-Chelated Ruthenium Alkylidene Complexes","Journal of the American Chemical Society","2009","131","","15114","15115","10.1021/ja907155r","","","0.71073","MoKα","","0.0475","0.0379","","","0.0762","0.0798","","","","","","1.005","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105217","8.4902","0.0005","11.6888","0.0009","7.6132","0.0005","90","","90","","90","","755.54","0.09","296","2","296","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- Cs2 K O14 Si4 U2 -","- Cs2 K O14 Si4 U2 -","- Cs4 K2 O28 Si8 U4 -","2","0.125","","Cheng-Shiuan Lee; Sue-Lein Wang; Kwang-Hwa Lii","Cs2K(UO)2Si4O12: A Mixed-Valence Uranium(IV,V) Silicate","Journal of the American Chemical Society","2009","131","","15116","15117","10.1021/ja9071805","","","0.71073","MoKα","","0.0142","0.0138","","","0.0345","0.0347","","","","","","1.195","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105218","11.022","0.007","18.809","0.013","11.102","0.008","90","","109.586","0.011","90","","2168","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Br N2 O P -","- C24 H23 Br N2 O P -","- C96 H92 Br4 N8 O4 P4 -","4","1","","Joshua P. Abell; Hisashi Yamamoto","Dual-Activation Asymmetric Strecker Reaction of Aldimines and Ketimines Catalyzed by a Tethered Bis(8-quinolinolato) Aluminum Complex","Journal of the American Chemical Society","2009","131","","15118","15119","10.1021/ja907268g","","","0.71073","MoKα","","0.0949","0.0723","","","0.1349","0.1408","","","","","","1.165","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105219","19.943","0.006","19.943","0.006","10.142","0.004","90","","90","","120","","3493","2","100","2","100","2","","","","","","","","6","P 65","P 65","170","","","","- C23 H23 Br N2 O P -","- C23 H23 Br N2 O P -","- C138 H138 Br6 N12 O6 P6 -","6","1","","Joshua P. Abell; Hisashi Yamamoto","Dual-Activation Asymmetric Strecker Reaction of Aldimines and Ketimines Catalyzed by a Tethered Bis(8-quinolinolato) Aluminum Complex","Journal of the American Chemical Society","2009","131","","15118","15119","10.1021/ja907268g","","","0.71073","MoKα","","0.0702","0.0482","","","0.1082","0.1138","","","","","","0.917","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105220","24.3013","0.0009","24.3013","0.0009","54.57","0.003","90","","90","","90","","32226","2","100","2","100","2","","","","","","","","4","P -4 c 2","P -4 -2c","116","BeBTB","","","- C54 H36 Be6 O18 -","- C54 H36 Be6 O18 -","- C432 H288 Be48 O144 -","8","1","","Kenji Sumida; Matthew R. Hill; Satoshi Horike; Anne Dailly; Jeffrey R. Long","Synthesis and Hydrogen Storage Properties of Be12(OH)12(1,3,5-benzenetribenzoate)4","Journal of the American Chemical Society","2009","131","","15120","15121","10.1021/ja9072707","","","1.54178","CuKα","","0.0363","0.0315","","","0.0849","0.0863","","","","","","0.961","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105221","19.38","0.004","15.591","0.003","14.358","0.003","90","","92.26","0.03","90","","4334.9","1.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H49 F6 N3 O7 S3 -","- C37 H49 F6 N3 O7 S3 -","- C148 H196 F24 N12 O28 S12 -","4","0.5","","Caleb D. Martin; Christine M. Le; Paul J. Ragogna","Remarkably Stable Chalcogen(II) Dications","Journal of the American Chemical Society","2009","131","","15126","15127","10.1021/ja9073968","","","0.71073","MoKα","","0.0818","0.0496","","","0.1137","0.1297","","","","","","1.034","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105222","19.3723","0.0011","15.4754","0.0009","14.5351","0.0007","90","","91.768","0.002","90","","4355.5","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H49 F6 N3 O7 S2 Se -","- C37 H49 F6 N3 O7 S2 Se -","- C148 H196 F24 N12 O28 S8 Se4 -","4","0.5","","Caleb D. Martin; Christine M. Le; Paul J. Ragogna","Remarkably Stable Chalcogen(II) Dications","Journal of the American Chemical Society","2009","131","","15126","15127","10.1021/ja9073968","","","0.71073","MoKα","","0.0537","0.0434","","","0.1088","0.1149","","","","","","1.037","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105223","11.995","0.002","8.2243","0.0016","16.523","0.003","90","","100.76","0.03","90","","1601.3","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H26 F6 N4 O6 S2 Te -","- C27 H26 F6 N4 O6 S2 Te -","- C54 H52 F12 N8 O12 S4 Te2 -","2","1","","Caleb D. Martin; Christine M. Le; Paul J. Ragogna","Remarkably Stable Chalcogen(II) Dications","Journal of the American Chemical Society","2009","131","","15126","15127","10.1021/ja9073968","","","0.71073","MoKα","","0.0452","0.0362","","","0.0871","0.0988","","","","","","1.101","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105224","9.115","0.003","9.932","0.003","12.311","0.004","79.456","0.009","89.201","0.01","63.883","0.009","981","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 O4 S -","- C24 H16 O4 S -","- C48 H32 O8 S2 -","2","1","","Amit Basak; Sanket Das; Dibyendu Mallick; Eluvathingal D. Jemmis","Which One Is Preferred: Myers-Saito Cyclization of Ene-Yne-Allene or Garratt-Braverman Cyclization of Conjugated Bisallenic Sulfone? A Theoretical and Experimental Study","Journal of the American Chemical Society","2009","131","","15695","15704","10.1021/ja9023644","","","0.71073","MoKα","","0.1465","0.0764","","","0.1859","0.2094","","","","","","0.985","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105225","14.311","0.003","18.36","0.004","21.044","0.004","90","","90","","90","","5529","2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C59 H49.25 B3 Cl3.25 N O7 S0.75 -","- C59.203 H49.274 B3 Cl3.274 N O7 S0.783 -","- C236.812 H197.096 B12 Cl13.096 N4 O28 S3.132 -","4","1","","Gang Hu; Li Huang; Rui H. Huang; William D. Wulff","Evidence for a Boroxinate Based Brønsted Acid Derivative of VAPOL as the Active Catalyst in the Catalytic Asymmetric Aziridination Reaction","Journal of the American Chemical Society","2009","131","","15615","15617","10.1021/ja904589k","","","0.71073","MoKα","","0.1545","0.0895","","","0.2242","0.245","","","","","","1.413","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105226","12.865","0.003","17.944","0.004","21.546","0.004","90","","90","","90","","4973.9","1.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H47 B3 Cl2 N2 O7 -","- C60 H47 B3 Cl2 N2 O7 -","- C240 H188 B12 Cl8 N8 O28 -","4","1","","Gang Hu; Li Huang; Rui H. Huang; William D. Wulff","Evidence for a Boroxinate Based Brønsted Acid Derivative of VAPOL as the Active Catalyst in the Catalytic Asymmetric Aziridination Reaction","Journal of the American Chemical Society","2009","131","","15615","15617","10.1021/ja904589k","","","0.71073","MoKα","","0.083","0.0469","","","0.1174","0.1384","","","","","","0.894","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105227","9.1653","0.0011","11.1937","0.0013","14.2705","0.0017","78.851","0.002","89.57","0.002","89.34","0.002","1436.3","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H41 F6 N O Os P2 -","- C26 H41 F6 N O Os P2 -","- C52 H82 F12 N2 O2 Os2 P4 -","2","1","","Ruth Castro-Rodrigo; Miguel A. Esteruelas; Sara Fuertes; Ana M. López; Fernando López; José L. Mascareñas; Silvia Mozo; Enrique Oñate; Lucía Saya; Lara Villarino","Formation of Osmium- and Ruthenium-Cyclobutylidene Complexes by Ring Expansion of Alkylidenecyclopropanes","Journal of the American Chemical Society","2009","131","","15572","15573","10.1021/ja904893j","","","0.71073","MoKα","","0.0453","0.038","","","0.0759","0.0781","","","","","","1.104","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105228","14.356","0.009","14.579","0.009","30.45","0.018","90","","90","","90","","6373","7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C28.2 H42.4 B2 F4 N7 O0.4 Os P -","- C28.2 H42.4 B2 F4 N7 O0.4 Os P -","- C225.6 H339.2 B16 F32 N56 O3.2 Os8 P8 -","8","1","","Ruth Castro-Rodrigo; Miguel A. Esteruelas; Sara Fuertes; Ana M. López; Fernando López; José L. Mascareñas; Silvia Mozo; Enrique Oñate; Lucía Saya; Lara Villarino","Formation of Osmium- and Ruthenium-Cyclobutylidene Complexes by Ring Expansion of Alkylidenecyclopropanes","Journal of the American Chemical Society","2009","131","","15572","15573","10.1021/ja904893j","","","0.71073","MoKα","","0.0833","0.0641","","","0.112","0.1182","","","","","","1.226","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105229","10.4105","0.0005","10.8685","0.0006","16.5368","0.001","77.003","0.003","76.36","0.002","64.354","0.002","1622.99","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H50 Cl N O2 P Rh -","- C34 H50 Cl N O2 P Rh -","- C68 H100 Cl2 N2 O4 P2 Rh2 -","2","1","","Derek M. Dalton; Kevin M. Oberg; Robert T. Yu; Ernest E. Lee; Stéphane Perreault; Mark Emil Oinen; Melissa L. Pease; Guillaume Malik; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [2 + 2 + 2] Cycloadditions of Terminal Alkynes and Alkenyl Isocyanates: Mechanistic Insights Lead to a Unified Model that Rationalizes Product Selectivity","Journal of the American Chemical Society","2009","131","","15717","15728","10.1021/ja905065j","","","0.71073","MoKα","","0.041","0.0336","","","0.0761","0.0792","","","","","","1.104","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105230","11.2417","0.0005","14.6792","0.0006","21.3614","0.0009","90","","90","","90","","3525","0.3","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 Cl N O2 P Rh Si2 -","- C36 H46 Cl N O2 P Rh Si2 -","- C144 H184 Cl4 N4 O8 P4 Rh4 Si8 -","4","1","","Derek M. Dalton; Kevin M. Oberg; Robert T. Yu; Ernest E. Lee; Stéphane Perreault; Mark Emil Oinen; Melissa L. Pease; Guillaume Malik; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [2 + 2 + 2] Cycloadditions of Terminal Alkynes and Alkenyl Isocyanates: Mechanistic Insights Lead to a Unified Model that Rationalizes Product Selectivity","Journal of the American Chemical Society","2009","131","","15717","15728","10.1021/ja905065j","","","0.71073","MoKα","","0","0.0453","","","0.0863","0.1035","","","","","","0.996","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105231","10.8877","0.0003","18.0279","0.0005","11.1484","0.0003","90","","91.924","0.001","90","","2187","0.1","120","","120","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H50 Cl5 N O4 P Rh -","- C43 H50 Cl5 N O4 P Rh -","- C86 H100 Cl10 N2 O8 P2 Rh2 -","2","1","","Derek M. Dalton; Kevin M. Oberg; Robert T. Yu; Ernest E. Lee; Stéphane Perreault; Mark Emil Oinen; Melissa L. Pease; Guillaume Malik; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [2 + 2 + 2] Cycloadditions of Terminal Alkynes and Alkenyl Isocyanates: Mechanistic Insights Lead to a Unified Model that Rationalizes Product Selectivity","Journal of the American Chemical Society","2009","131","","15717","15728","10.1021/ja905065j","","","0.71073","MoKα","","0.0786","0.0511","","","0.1067","0.1195","","","","","","1.005","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105232","15.3754","0.0004","17.3853","0.0004","18.1214","0.0004","90","","90","","90","","4844","0.2","120","","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H64 Cl N O4 P Rh -","- C51 H64 Cl N O4 P Rh -","- C204 H256 Cl4 N4 O16 P4 Rh4 -","4","1","","Derek M. Dalton; Kevin M. Oberg; Robert T. Yu; Ernest E. Lee; Stéphane Perreault; Mark Emil Oinen; Melissa L. Pease; Guillaume Malik; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [2 + 2 + 2] Cycloadditions of Terminal Alkynes and Alkenyl Isocyanates: Mechanistic Insights Lead to a Unified Model that Rationalizes Product Selectivity","Journal of the American Chemical Society","2009","131","","15717","15728","10.1021/ja905065j","","","0.71073","MoKα","","0.0916","0.0532","","","0.1025","0.1183","","","","","","1.006","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105233","10.8926","0.0007","18.1189","0.0011","11.223","0.0007","90","","91.835","0.003","90","","2213.9","0.2","120","","120","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C45 H52 Cl5 N O4 P Rh -","- C45 H52 Cl5 N O4 P Rh -","- C90 H104 Cl10 N2 O8 P2 Rh2 -","2","1","","Derek M. Dalton; Kevin M. Oberg; Robert T. Yu; Ernest E. Lee; Stéphane Perreault; Mark Emil Oinen; Melissa L. Pease; Guillaume Malik; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [2 + 2 + 2] Cycloadditions of Terminal Alkynes and Alkenyl Isocyanates: Mechanistic Insights Lead to a Unified Model that Rationalizes Product Selectivity","Journal of the American Chemical Society","2009","131","","15717","15728","10.1021/ja905065j","","","0.71073","MoKα","","0.0246","0.0232","","","0.0574","0.0581","","","","","","1.018","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105234","16.861","0.003","10.925","0.002","23.401","0.005","90","","110.76","0.03","90","","4030.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H61 P Si6 Zr -","- C31 H61 P Si6 Zr -","- C124 H244 P4 Si24 Zr4 -","4","1","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene","Journal of the American Chemical Society","2009","131","","15952","15962","10.1021/ja905654r","","","0.71073","MoKα","","0.0787","0.0634","","","0.2189","0.2438","","","","","","0.994","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105235","11.365","0.002","15.798","0.003","17.117","0.003","90","","90","","90","","3073.3","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H47 P Si5 Zr -","- C22 H47 P Si5 Zr -","- C88 H188 P4 Si20 Zr4 -","4","1","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene","Journal of the American Chemical Society","2009","131","","15952","15962","10.1021/ja905654r","","","0.71073","MoKα","","0.1111","0.0646","","","0.1102","0.1255","","","","","","0.889","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105236","9.878","0.002","10.085","0.002","16.779","0.003","90.47","0.03","90.22","0.03","117.42","0.03","1483.6","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H46 Si6 Ti -","- C22 H46 Si6 Ti -","- C44 H92 Si12 Ti2 -","2","1","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene","Journal of the American Chemical Society","2009","131","","15952","15962","10.1021/ja905654r","","","0.71073","MoKα","","0.17","0.0984","","","0.2191","0.2586","","","","","","1.014","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105237","16.908","0.003","10.926","0.002","23.415","0.005","90","","110.94","0.03","90","","4039.9","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H63 Ge2 Hf P Si4 -","- C32 H63 Ge2 Hf P Si4 -","- C128 H252 Ge8 Hf4 P4 Si16 -","4","1","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene","Journal of the American Chemical Society","2009","131","","15952","15962","10.1021/ja905654r","","","0.71073","MoKα","","0.0578","0.0452","","","0.0901","0.0947","","","","","","1.073","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105238","11.461","0.002","11.77","0.002","13.139","0.003","84","0.03","84.43","0.03","86.36","0.03","1751.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H55 Ge2 P Si4 Zr -","- C25 H55 Ge2 P Si4 Zr -","- C50 H110 Ge4 P2 Si8 Zr2 -","2","1","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene","Journal of the American Chemical Society","2009","131","","15952","15962","10.1021/ja905654r","","","0.71073","MoKα","","0.1","0.0712","","","0.1462","0.1606","","","","","","1.026","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105239","10.982","0.002","11.835","0.002","17.5","0.004","86.81","0.03","87.77","0.03","75.29","0.03","2195.8","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H64 Hf Si6 Sn3 -","- C28 H64 Hf Si6 Sn3 -","- C56 H128 Hf2 Si12 Sn6 -","2","1","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene","Journal of the American Chemical Society","2009","131","","15952","15962","10.1021/ja905654r","","","0.71073","MoKα","","0.08","0.0701","","","0.2179","0.2332","","","","","","1.109","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105240","10.916","0.002","11.849","0.002","17.496","0.003","87.04","0.03","87.75","0.03","76.3","0.03","2194.8","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H64 Si6 Sn3 Zr -","- C28 H64 Si6 Sn3 Zr -","- C56 H128 Si12 Sn6 Zr2 -","2","1","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene","Journal of the American Chemical Society","2009","131","","15952","15962","10.1021/ja905654r","","","0.71073","MoKα","","0.1202","0.0885","","","0.1501","0.1621","","","","","","1.204","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105241","16.865","0.003","10.921","0.002","23.394","0.005","90","","110.88","0.03","90","","4025.8","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H63 Ge Hf P Si5 -","- C32 H63 Ge Hf P Si5 -","- C128 H252 Ge4 Hf4 P4 Si20 -","4","1","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene","Journal of the American Chemical Society","2009","131","","15952","15962","10.1021/ja905654r","","","0.71073","MoKα","","0.0526","0.044","","","0.0939","0.0975","","","","","","1.144","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105242","19.289","0.004","12.751","0.003","10.29","0.002","90","","117.74","0.03","90","","2240","1","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H72 Ge4 Si8 -","- C24 H72 Ge4 Si8 -","- C48 H144 Ge8 Si16 -","2","0.5","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene","Journal of the American Chemical Society","2009","131","","15952","15962","10.1021/ja905654r","","","0.71073","MoKα","","0.0631","0.0527","","","0.1166","0.1235","","","","","","1.059","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105243","15.508","0.0004","16.1827","0.0005","16.3415","0.0006","90.5519","0.0011","99.3054","0.0011","103.893","0.0016","3923.7","0.2","130","2","130","2","","","","","","","","8","P -1","-P 1","2","ML097_3","ML097_3","","- C134 H209 F24 N12 O4.5 P4 Pd6 Tl4 -","- C134 H209 F24 N12 O4.5 P4 Pd6 Tl4 -","- C134 H209 F24 N12 O4.5 P4 Pd6 Tl4 -","1","0.5","","Michael P. Lanci; Matthew S. Remy; Werner Kaminsky; James M. Mayer; Melanie S. Sanford","Oxidatively Induced Reductive Elimination from (tBu2bpy)Pd(Me)2: Palladium(IV) Intermediates in a One-Electron Oxidation Reaction","Journal of the American Chemical Society","2009","131","","15618","15620","10.1021/ja905816q","","","0.71073","MoKα","","0.1167","0.0549","","","0.1133","0.135","","","","","","0.96","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105244","14.0829","0.0003","14.0829","0.0003","5.9129","0.0003","90","","90","","120","","1015.58","0.06","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 31","P 31","144","","","","- C16 H15 Cl O -","- C16 H15 Cl O -","- C48 H45 Cl3 O3 -","3","1","","Lucie E. Zimmer; André B. Charette","Enantioselective Synthesis of 1,2,3-Trisubstituted Cyclopropanes Usinggem-Dizinc Reagents","Journal of the American Chemical Society","2009","131","","15624","15626","10.1021/ja906033g","","","1.54178","CuKα","","0.0605","0.0597","","","0.1567","0.1574","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105245","3.769","0.0005","18.064","0.002","9.6698","0.0013","90","","99.88","0.01","90","","648.59","0.14","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,8-Di(4-pyridyl)-1,3,5,7-octatetrayne","","- C18 H8 N2 -","- C18 H8 N2 -","- C36 H16 N4 -","2","0.5","","Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce; Santiago Martín; Richard J. Nichols; Simon J. Higgins; Víctor M. García-Suárez; Colin J. Lambert","Oligoyne Single Molecule Wires","Journal of the American Chemical Society","2009","131","","15647","15654","10.1021/ja9061129","","","0.71073","MoKα","","0.0647","0.0448","","","0.108","0.1172","","","","","","1.044","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105246","6.2122","0.0004","12.8417","0.0009","12.9157","0.0009","84.887","0.003","79.116","0.003","80.662","0.003","996.59","0.12","203","","","","","","","","","","Carreira laboratory","4","P -1","-P 1","2","","","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C24 H44 Cl12 O8 -","4","2","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.0871","0.0523","","","0.1355","0.1659","","","","","","0.904","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105247","16.4","0.002","5.6769","0.0008","10.0838","0.0013","90","","104.045","0.009","90","","910.7","0.2","22","","","","","","","","","","Carreira laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C24 H44 Cl12 O8 -","4","1","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.094","0.0548","","","0.1511","0.1848","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105248","16.226","0.0011","7.1681","0.0004","8.4596","0.0004","90","","90.878","0.002","90","","983.82","0.1","203","","","","","","","","","","LOC ETH Zurich","4","P 1 21/c 1","-P 2ybc","14","","3,4,5-trichlorohexane-1,2-diol","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C24 H44 Cl12 O8 -","4","1","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.0811","0.0709","","","0.1776","0.1915","","","","","","1.387","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105249","5.8807","0.0001","15.3856","0.0004","10.3567","0.0003","90","","92.8583","0.0009","90","","935.89","0.04","223","","","","","","","","","","LOC ETH Zurich","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C24 H44 Cl12 O8 -","4","1","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.0349","0.0313","","","0.1006","0.1078","","","","","","0.896","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105250","5.9791","0.0002","9.9546","0.0004","15.7432","0.0006","90","","90","","90","","937.03","0.06","173","","","","","","","","","","LOC ETH Zurich","4","P 21 21 21","P 2ac 2ab","19","","(2R,3S,4R,5R)-2,4,5-trichlorohexane-1,3-diol","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C24 H44 Cl12 O8 -","4","1","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.0434","0.0389","","","0.1049","0.1124","","","","","","0.812","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105251","19.6489","0.0006","5.0979","0.0002","20.4002","0.0006","90","","111.962","0.002","90","","1895.16","0.11","223","","","","","","","","","","LOC ETH Zurich","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C48 H88 Cl24 O16 -","8","2","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.0789","0.0597","","","0.1502","0.1751","","","","","","1.148","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105252","10.0179","0.0003","10.8181","0.0003","17.9104","0.0005","90","","90","","90","","1941.03","0.1","203","","","","","","","","","","LOC ETH Zurich","4","P b n a","-P 2ac 2b","60","","","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C48 H88 Cl24 O16 -","8","1","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.0392","0.0336","","","0.1174","0.1248","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105253","8.0208","0.0008","6.0426","0.0006","9.7977","0.001","90","","95.619","0.005","90","","472.58","0.08","293","","","","","","","","","","LOC ETH Zurich, CN796_2_1_1","4","P 1 21 1","P 2yb","4","","","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C12 H22 Cl6 O4 -","2","1","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.0912","0.0641","","","0.1589","0.1833","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105254","12.7354","0.0004","8.1967","0.0003","10.1268","0.0003","90","","109.523","0.002","90","","996.34","0.06","223","","","","","","","","","","LOC ETH Zurich","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C24 H44 Cl12 O8 -","4","1","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.0436","0.0396","","","0.1466","0.1527","","","","","","1.253","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105255","12.7131","0.0005","5.0275","0.0002","15.2227","0.0006","90","","109.055","0.002","90","","919.65","0.06","223","","","","","","","","","","LOC ETH Zurich","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C24 H44 Cl12 O8 -","4","1","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.0532","0.0372","","","0.1108","0.1424","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105256","15.9264","0.0008","6.2254","0.0003","9.5377","0.0004","90","","104.182","0.002","90","","916.82","0.07","223","","","","","","","","","","LOC ETH Zurich","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C24 H44 Cl12 O8 -","4","1","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.1095","0.1015","","","0.2943","0.2983","","","","","","2.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105257","8.509","0.0006","13.1425","0.0007","9.904","0.0006","90","","92.759","0.008","90","","1106.28","0.12","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","1","","Ron Siewertsen; Hendrikje Neumann; Bengt Buchheim-Stehn; Rainer Herges; Christian Näther; Falk Renth; Friedrich Temps","Highly Efficient Reversible Z-E Photoisomerization of a Bridged Azobenzene with Visible Light through Resolved S1(nπ*) Absorption Bands","Journal of the American Chemical Society","2009","131","","15594","15595","10.1021/ja906547d","","","0.71073","MoKα","","0.0682","0.0481","","","0.1251","0.1372","","","","","","1.048","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105258","19.115","0.002","13.0015","0.0014","19.112","0.002","90","","113.704","0.005","90","","4349.1","0.8","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Chlorido{2,6-bis[1-(2,6-diisopropylphenylimino-κ<i>N</i>)ethyl]pyridine- κ<i>N</i>(.1-)}nickel(II)‒toluene (1/2)","","- C47 H59 Cl N3 Ni -","- C47 H59 Cl N3 Ni -","- C188 H236 Cl4 N12 Ni4 -","4","1","","Tony D. Manuel; Jan-Uwe Rohde","Reaction of a Redox-Active Ligand Complex of Nickel with Dioxygen Probes Ligand-Radical Character","Journal of the American Chemical Society","2009","131","","15582","15583","10.1021/ja9065943","","","0.71073","MoKα","","0.1343","0.0577","","","0.1296","0.1679","","","","","","1","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105259","14.1976","0.0015","15.7496","0.0017","16.8785","0.0018","90","","107.454","0.005","90","","3600.4","0.7","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido{6-[1-(2,6-diisopropylphenylimino-κ<i>N</i>)ethyl]pyridyl- κ<i>N</i>-2-<i>N</i>-(2,6-diisopropylphenyl)carboxamidato- κ<i>N</i>}nickel(II)‒nitromethane (1/2)","","- C34 H46 Cl N5 Ni O5 -","- C34 H46 Cl N5 Ni O5 -","- C136 H184 Cl4 N20 Ni4 O20 -","4","1","","Tony D. Manuel; Jan-Uwe Rohde","Reaction of a Redox-Active Ligand Complex of Nickel with Dioxygen Probes Ligand-Radical Character","Journal of the American Chemical Society","2009","131","","15582","15583","10.1021/ja9065943","","","0.71073","MoKα","","0.0637","0.0403","","","0.0904","0.1029","","","","","","1.028","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105260","34.1837","0.0003","34.1837","0.0003","34.1837","0.0003","90","","90","","90","","39944.5","0.6","293","2","293","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C36 H88 Ge12 Nd8 O68 -","- C36 Ge12 Nd8 O54.98 -","- C576 Ge192 Nd128 O879.68 -","16","0.333333","","Huan He; Gao-Juan Cao; Shou-Tian Zheng; Guo-Yu Yang","Lanthanide Germanate Cluster Organic Frameworks Constructed from {Ln8Ge12} or {Ln11Ge12} Cage Cluster Building Blocks","Journal of the American Chemical Society","2009","131","","15588","15589","10.1021/ja906735v","","","0.71073","MoKα","","0.0556","0.0513","","","0.1438","0.1471","","","","","","1.093","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105261","32.2786","0.0011","32.2786","0.0011","32.2786","0.0011","90","","90","","90","","33631","2","293","2","293","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C72 H132 Cl Ge12 N6 O91 Pr11 -","- C72 Cl0.99 Ge12 N6 O74 Pr11 -","- C576 Cl7.92 Ge96 N48 O592 Pr88 -","8","0.166667","","Huan He; Gao-Juan Cao; Shou-Tian Zheng; Guo-Yu Yang","Lanthanide Germanate Cluster Organic Frameworks Constructed from {Ln8Ge12} or {Ln11Ge12} Cage Cluster Building Blocks","Journal of the American Chemical Society","2009","131","","15588","15589","10.1021/ja906735v","","","0.71073","MoKα","","0.0568","0.056","","","0.1504","0.1509","","","","","","1.096","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105262","32.1918","0.0002","32.1918","0.0002","32.1918","0.0002","90","","90","","90","","33360.7","0.4","293","2","293","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C72 H132 Cl Ge12 N6 Nd11 O91 -","- C72 Cl0.99 Ge12 N6 Nd11 O72.98 -","- C576 Cl7.92 Ge96 N48 Nd88 O583.84 -","8","0.166667","","Huan He; Gao-Juan Cao; Shou-Tian Zheng; Guo-Yu Yang","Lanthanide Germanate Cluster Organic Frameworks Constructed from {Ln8Ge12} or {Ln11Ge12} Cage Cluster Building Blocks","Journal of the American Chemical Society","2009","131","","15588","15589","10.1021/ja906735v","","","0.71073","MoKα","","0.0665","0.0663","","","0.1629","0.1637","","","","","","1.096","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105263","32.0221","0.0011","32.0221","0.0011","32.0221","0.0011","90","","90","","90","","32836","2","293","2","293","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C72 H124 Cl Eu11 Ge12 N6 O87 -","- C72 Eu11 Ge12 N6 O70.04 -","- C576 Eu88 Ge96 N48 O560.32 -","8","0.166667","","Huan He; Gao-Juan Cao; Shou-Tian Zheng; Guo-Yu Yang","Lanthanide Germanate Cluster Organic Frameworks Constructed from {Ln8Ge12} or {Ln11Ge12} Cage Cluster Building Blocks","Journal of the American Chemical Society","2009","131","","15588","15589","10.1021/ja906735v","","","0.71073","MoKα","","0.056","0.0516","","","0.1467","0.1648","","","","","","1.091","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105264","32.0142","0.0004","32.0142","0.0004","32.0142","0.0004","90","","90","","90","","32811.6","0.7","293","2","293","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C72 H122 Cl Gd11 Ge12 N6 O86 -","- C72 Gd11 Ge12 N6 O69.98 -","- C576 Gd88 Ge96 N48 O559.84 -","8","0.166667","","Huan He; Gao-Juan Cao; Shou-Tian Zheng; Guo-Yu Yang","Lanthanide Germanate Cluster Organic Frameworks Constructed from {Ln8Ge12} or {Ln11Ge12} Cage Cluster Building Blocks","Journal of the American Chemical Society","2009","131","","15588","15589","10.1021/ja906735v","","","0.71073","MoKα","","0.0578","0.0577","","","0.1531","0.1533","","","","","","1.066","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105265","10.154","0.002","11.161","0.002","19.7","0.004","90","","90","","90","","2232.6","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C96 H108 N4 O24 -","4","1","","K. C. Nicolaou; G. Scott Tria; David J. Edmonds; Moumita Kar","Total Syntheses of (\±)-Platencin and (-)-Platencin","Journal of the American Chemical Society","2009","131","","15909","15917","10.1021/ja906801g","","","0.71073","MoKα","","0.095","0.0696","","","0.1569","0.169","","","","","","1.092","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105266","6.0634","0.0012","11.813","0.002","16.238","0.003","90","","90","","90","","1163.1","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O2 -","- C13 H20 O2 -","- C52 H80 O8 -","4","1","","K. C. Nicolaou; G. Scott Tria; David J. Edmonds; Moumita Kar","Total Syntheses of (\±)-Platencin and (-)-Platencin","Journal of the American Chemical Society","2009","131","","15909","15917","10.1021/ja906801g","","","0.71073","MoKα","","0.0465","0.0414","","","0.1136","0.1178","","","","","","1.069","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105267","22.0808","0.0008","16.6729","0.0006","14.5623","0.0005","90","","90","","90","","5361.1","0.3","130","2","130","2","","","","","","","","6","P b c n","-P 2n 2ab","60","D-63","D-63","","- C23 H25 F6 N3 O5 Pd -","- C23 H25 F6 N3 O5 Pd -","- C184 H200 F48 N24 O40 Pd8 -","8","1","","Paul A. Sibbald; Carolyn F. Rosewall; Rodney D. Swartz; Forrest E. Michael","Mechanism of N-Fluorobenzenesulfonimide Promoted Diamination and Carboamination Reactions: Divergent Reactivity of a Pd(IV) Species","Journal of the American Chemical Society","2009","131","","15945","15951","10.1021/ja906915w","","","0.71073","MoKα","","0.1382","0.0544","","","0.1131","0.141","","","","","","0.986","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105268","10.9042","0.0012","18.895","0.002","15.2167","0.0016","90","","109.945","0.002","90","","2947.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H49 Ir O P2 -","- C31 H49 Ir O P2 -","- C124 H196 Ir4 O4 P8 -","4","1","","Jongwook Choi; Yuriy Choliy; Xiawei Zhang; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of sp3 C-O Bonds via Oxidative Addition of C-H Bonds","Journal of the American Chemical Society","2009","131","","15627","15629","10.1021/ja906930u","","","0.71073","MoKα","","0.0508","0.0339","","","0.0726","0.0788","","","","","","1.023","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105269","54.624","0.003","11.2955","0.0006","22.5933","0.0011","90","","102.985","0.001","90","","13583.7","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H49 F6 Ir O P2 -","- C33 H49 F6 Ir O P2 -","- C528 H784 F96 Ir16 O16 P32 -","16","2","","Jongwook Choi; Yuriy Choliy; Xiawei Zhang; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of sp3 C-O Bonds via Oxidative Addition of C-H Bonds","Journal of the American Chemical Society","2009","131","","15627","15629","10.1021/ja906930u","","","0.71073","MoKα","","0.066","0.0494","","","0.1257","0.1346","","","","","","1.098","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105270","11.2722","0.0008","30.082","0.002","11.4828","0.0008","90","","116.13","0.001","90","","3495.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35.25 H52 F5 Ir O P2 -","- C35.125 H52 F5 Ir O P2 -","- C140.5 H208 F20 Ir4 O4 P8 -","4","1","","Jongwook Choi; Yuriy Choliy; Xiawei Zhang; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of sp3 C-O Bonds via Oxidative Addition of C-H Bonds","Journal of the American Chemical Society","2009","131","","15627","15629","10.1021/ja906930u","","","0.71073","MoKα","","0.039","0.0347","","","0.0799","0.0818","","","","","","1.028","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105271","11.7698","0.0008","19.4207","0.0014","14.9529","0.0011","90","","110.538","0.001","90","","3200.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31.71 H48.42 F4 Ir O P2 -","- C31.71 H48.42 F4 Ir O P2 -","- C126.84 H193.68 F16 Ir4 O4 P8 -","4","1","","Jongwook Choi; Yuriy Choliy; Xiawei Zhang; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of sp3 C-O Bonds via Oxidative Addition of C-H Bonds","Journal of the American Chemical Society","2009","131","","15627","15629","10.1021/ja906930u","","","0.71073","MoKα","","0.0289","0.0248","","","0.0537","0.0552","","","","","","1.009","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105272","10.6099","0.0006","13.2209","0.0008","21.7424","0.0013","90","","104.037","0.001","90","","2958.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H49 Ir O P2 -","- C30 H49 Ir O P2 -","- C120 H196 Ir4 O4 P8 -","4","1","","Jongwook Choi; Yuriy Choliy; Xiawei Zhang; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of sp3 C-O Bonds via Oxidative Addition of C-H Bonds","Journal of the American Chemical Society","2009","131","","15627","15629","10.1021/ja906930u","","","0.71073","MoKα","","0.0386","0.0275","","","0.0575","0.0617","","","","","","0.967","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105273","10.7003","0.0009","14.8286","0.0013","20.0664","0.0018","90","","100.499","0.002","90","","3130.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 F4 Ir O P2 -","- C31 H44 F4 Ir O P2 -","- C124 H176 F16 Ir4 O4 P8 -","4","1","","Jongwook Choi; Yuriy Choliy; Xiawei Zhang; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of sp3 C-O Bonds via Oxidative Addition of C-H Bonds","Journal of the American Chemical Society","2009","131","","15627","15629","10.1021/ja906930u","","","0.71073","MoKα","","0.0367","0.0275","","","0.0593","0.0623","","","","","","0.998","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105274","7.3186","0.0007","22.46","0.02","13.2979","0.0013","90","","93.896","0.005","90","","2181","2","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O -","- C18 H20 O -","- C108 H120 O6 -","6","3","","Sébastien R. Goudreau; André B. Charette","In Situ Generation of Zinc Carbenoids from Diazo Compounds and Zinc Salts: Asymmetric Synthesis of 1,2,3-Substituted Cyclopropanes","Journal of the American Chemical Society","2009","131","","15633","15635","10.1021/ja9074776","","","1.54178","CuKα","","0.0467","0.0406","","","0.1067","0.1118","","","","","","1.025","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105275","13.177","0.0011","15.864","0.0014","16.2706","0.0014","90","","90","","90","","3401.2","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H22 B F15 Fe Zr -","- C39 H22 B F15 Fe Zr -","- C156 H88 B4 F60 Fe4 Zr4 -","4","1","","Alberto Ramos; Edwin Otten; Douglas W. Stephan","Stabilizing Zr and Ti Cations by Interaction With a Ferrocenyl Fragment","Journal of the American Chemical Society","2009","131","","15610","15611","10.1021/ja9077446","","","0.71073","MoKα","","0.0395","0.0301","","","0.0678","0.0714","","","","","","1.033","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105276","13.4146","0.0016","15.9532","0.0017","16.5904","0.0017","90","","90","","90","","3550.4","0.7","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H26 B F15 Fe Zr -","- C41 H26 B F15 Fe Zr -","- C164 H104 B4 F60 Fe4 Zr4 -","4","1","","Alberto Ramos; Edwin Otten; Douglas W. Stephan","Stabilizing Zr and Ti Cations by Interaction With a Ferrocenyl Fragment","Journal of the American Chemical Society","2009","131","","15610","15611","10.1021/ja9077446","","","0.71073","MoKα","","0.0628","0.0401","","","0.0757","0.0835","","","","","","1.014","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105277","12.7013","0.0006","15.4895","0.0008","22.0666","0.0011","110.254","0.002","97.413","0.002","91.311","0.002","4028.2","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C43.5 H32.25 B Br0.25 F15 Fe P Zr -","- C43.5 H31 B Br0.25 F15 Fe P Zr -","- C174 H124 B4 Br F60 Fe4 P4 Zr4 -","4","2","","Alberto Ramos; Edwin Otten; Douglas W. Stephan","Stabilizing Zr and Ti Cations by Interaction With a Ferrocenyl Fragment","Journal of the American Chemical Society","2009","131","","15610","15611","10.1021/ja9077446","","","0.71073","MoKα","","0.0552","0.0346","","","0.0787","0.0883","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105278","9.7656","0.0003","28.7619","0.0007","16.3906","0.0004","90","","106.234","0.001","90","","4420.2","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 B F15 Fe N P Ti -","- C46 H44 B F15 Fe N P Ti -","- C184 H176 B4 F60 Fe4 N4 P4 Ti4 -","4","1","","Alberto Ramos; Edwin Otten; Douglas W. Stephan","Stabilizing Zr and Ti Cations by Interaction With a Ferrocenyl Fragment","Journal of the American Chemical Society","2009","131","","15610","15611","10.1021/ja9077446","","","0.71073","MoKα","","0.0476","0.0371","","","0.0835","0.0875","","","","","","1.062","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105279","12.1242","0.0008","21.3988","0.0011","23.125","0.003","90","","90","","90","","5999.6","0.9","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Mo Zn12 -","- C40 H30 Mo Zn12 -","- C160 H120 Mo4 Zn48 -","4","1","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.1424","0.0676","","","0.1712","0.195","","","","","","0.832","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105280","12.745","0.003","23.559","0.005","18.921","0.005","90","","93.81","0.02","90","","5669","2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H72 Ga4 Mo Zn4 -","- C44 H72 Ga4 Mo Zn4 -","- C176 H288 Ga16 Mo4 Zn16 -","4","1","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.1446","0.0622","","","0.1536","0.2094","","","","","","0.91","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105281","17.3477","0.0008","17.5178","0.0009","18.8957","0.0009","90","","94.774","0.004","90","","5722.4","0.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H84 Ga2 Mo Zn8 -","- C52 H84 Ga2 Mo Zn8 -","- C208 H336 Ga8 Mo4 Zn32 -","4","1","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.0925","0.0382","","","0.0818","0.1253","","","","","","0.816","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105282","17.2946","0.0011","17.39","0.002","18.725","0.002","90","","94.516","0.007","90","","5614.1","1","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H84 Ru Zn10 -","- C52 H84 Ru Zn10 -","- C208 H336 Ru4 Zn40 -","4","1","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.158","0.0468","","","0.0839","0.1084","","","","","","0.832","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105283","12.5205","0.0004","23.2905","0.0007","22.5218","0.0008","90","","123.522","0.002","90","","5475.2","0.3","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H72 Ga0 Ru Zn8 -","- C44 H72 Ru Zn8 -","- C176 H288 Ru4 Zn32 -","4","1","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.0951","0.0533","","","0.1456","0.1559","","","","","","0.968","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105284","19.584","0.0007","12.5029","0.0005","17.3314","0.0006","90","","90","","90","","4243.7","0.3","113","2","113","2","","","","","","","","3","P m c 21","P 2c -2","26","","","","- C36 Rh Zn9 -","- C36 Rh Zn9 -","- C144 Rh4 Zn36 -","4","1","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.0854","0.0399","","","0.0927","0.1402","","","","","","0.916","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105285","16.9525","0.0007","16.583","0.0004","23.4379","0.0009","90","","110.783","0.004","90","","6160.2","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H72 Ga Rh Zn7 -","- C44 H72 Ga Rh Zn7 -","- C176 H288 Ga4 Rh4 Zn28 -","4","1","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.072","0.0383","","","0.1055","0.11","","","","","","0.882","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105286","29.9453","0.0013","20.8547","0.0006","22.1767","0.0007","90","","126.644","0.003","90","","11112.2","0.8","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H72 F0 Ni Zn8 -","- C44 H72 Ni Zn8 -","- C352 H576 Ni8 Zn64 -","8","1","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.0819","0.0372","","","0.0907","0.1001","","","","","","0.78","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105287","12.6106","0.0003","23.3762","0.0009","18.9914","0.0007","90","","93.411","0.003","90","","5588.5","0.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H72 Ga0 Pd Zn8 -","- C44 H72 Pd Zn8 -","- C176 H288 Pd4 Zn32 -","4","1","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.0709","0.0433","","","0.1248","0.141","","","","","","0.939","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105288","12.5896","0.0012","23.1888","0.0008","19.066","0.004","90","","93.262","0.011","90","","5557.1","1.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H69 Ga0 Pt Zn8 -","- C44 H69 Pt Zn8 -","- C176 H276 Pt4 Zn32 -","4","1","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.0787","0.0455","","","0.1266","0.1384","","","","","","0.994","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105289","17.2256","0.0003","17.7766","0.0003","18.5676","0.0003","90","","90","","90","","5685.63","0.17","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C52 H90 O Pt Zn8 -","- C52 H90 O Pt Zn8 -","- C208 H360 O4 Pt4 Zn32 -","4","0.5","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.0435","0.0234","","","0.0532","0.057","","","","","","0.949","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105290","15.0956","0.0011","27.0921","0.0019","25.7271","0.0018","90","","106.834","0.002","90","","10070.8","1.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H61 Mo6 N1.5 O25 P0.5 Zn2 -","- C32 H4 Mo6 N1.5 O24 P0.5 Zn2 -","- C256 H32 Mo48 N12 O192 P4 Zn16 -","8","1","","L. Marleny Rodriguez-Albelo; A. Rabdel Ruiz-Salvador; Alvaro Sampieri; Dewi W. Lewis; Ariel Gómez; Brigitte Nohra; Pierre Mialane; Jérôme Marrot; Francis Sécheresse; Caroline Mellot-Draznieks; Rosa Ngo Biboum; Bineta Keita; Louis Nadjo; Anne Dolbecq","Zeolitic Polyoxometalate-Based Metal-Organic Frameworks (Z-POMOFs): Computational Evaluation of Hypothetical Polymorphs and the Successful Targeted Synthesis of the Redox-Active Z-POMOF1","Journal of the American Chemical Society","2009","131","","16078","16087","10.1021/ja905009e","","","0.71073","MoKα","","0.1024","0.0618","","","0.1303","0.1457","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105291","5.7817","0.001","5.7817","","5.7817","","90","","90","","90","","193.27","0.03","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Cu0.5 In0.5 Se -","- Cu0.5 In0.5 Se -","- Cu2 In2 Se4 -","4","0.0416667","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.12991","","10.01","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4105292","5.7937","0.0025","5.7937","","11.554","0.008","90","","90","","90","","387.8","0.3","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu In Se2 -","- Cu In Se2 -","- Cu4 In4 Se8 -","4","0.25","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.2789","","8.68","","","","","","","has coordinates,has Fobs","178798","2020-10-21","18:00:00",""
"4105293","5.7886","0.0005","5.7886","","5.7886","","90","","90","","90","","193.964","0.017","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Cu In Se -","- Cu In Se -","- Cu4 In4 Se4 -","4","0.0416667","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.21111","","18.52","","","","","","","has coordinates,has Fobs","178798","2020-10-21","18:00:00",""
"4105294","5.7852","0.0013","5.7852","","11.5964","0.0016","90","","90","","90","","388.11","0.1","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu In Se2 -","- Cu In Se2 -","- Cu4 In4 Se8 -","4","0.25","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.26008","","14.14","","","","","","","has coordinates,has Fobs","178798","2020-10-21","18:00:00",""
"4105295","6.9986","0.0004","6.9986","","7.1357","0.0006","90","","90","","120","","302.68","0.03","","","","","","","","","","","","2","P 63 c m","P 6c -2","185","","","","- Cu3 P -","- Cu3 P -","- Cu18 P6 -","6","0.5","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.47963","","25.52","","","","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105296","6.469","0.007","6.469","","4.203","0.005","90","","90","","90","","175.9","0.3","","","","","","","","","","","","2","P -4 21 m","P -4 2ab","113","","","","- Cu3 Se2 -","- Cu3 Se2 -","- Cu6 Se4 -","2","0.25","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.21824","","6.35","","","","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105297","6.66","0.05","6.66","","4.102","0.012","90","","90","","90","","181.9","1.5","","","","","","","","","","","","2","P -4 21 m","P -4 2ab","113","","","","- Cu3 Se2 -","- Cu3 Se2 -","- Cu6 Se4 -","2","0.25","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.05031","","8.35","","","","","","","has coordinates,has Fobs","178798","2020-10-21","18:00:00",""
"4105298","5.0252","0.0009","6.1941","0.0011","3.7447","0.0007","90","","90","","90","","116.56","0.04","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Cu Se2 -","- Cu Se2 -","- Cu2 Se4 -","2","0.25","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.34194","","16.26","","","","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105299","8.5116","0.0006","8.534","0.0006","11.9392","0.001","75.976","0.003","82.396","0.003","74.39","0.004","808.26","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C32 H42 N2 O8 S2 -","2","1","","Vanessa M. Williams; Jong Rock Kong; Byoung Joon Ko; Yogita Mantri; Jennifer S. Brodbelt; Mu-Hyun Baik; Michael J. Krische","ESI-MS, DFT, and Synthetic Studies on the H2-Mediated Coupling of Acetylene: Insertion of C=X Bonds into Rhodacyclopentadienes and Brønsted Acid Cocatalyzed Hydrogenolysis of Organorhodium Intermediates","Journal of the American Chemical Society","2009","131","","16054","16062","10.1021/ja906225n","","","0.71073","MoKα","","0.1399","0.1255","","","0.2089","0.2114","","","","","","3.102","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105300","20.398","0.0001","20.398","0.0001","20.398","0.0001","90","","90","","90","","8487.17","0.07","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C36 H12 In3 N2.5 O24 -","- C36 H12 In3 O24 -","- C144 H48 In12 O96 -","4","0.0833333","","Shumei Chen; Jian Zhang; Tao Wu; Pingyun Feng; Xianhui Bu","Multiroute Synthesis of Porous Anionic Frameworks and Size-Tunable Extraframework Organic Cation-Controlled Gas Sorption Properties","Journal of the American Chemical Society","2009","131","","16027","16029","10.1021/ja906302t","","","0.71073","MoKα","","0.0432","0.042","","","0.1361","0.1372","","","","","","1.145","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105301","29.1453","0.0001","29.1453","0.0001","16.991","0.0002","90","","90","","120","","12499.3","0.16","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C72 H96 In3 N3 O24 -","- C72 H96 In3 N3 O24 -","- C432 H576 In18 N18 O144 -","6","0.333333","","Shumei Chen; Jian Zhang; Tao Wu; Pingyun Feng; Xianhui Bu","Multiroute Synthesis of Porous Anionic Frameworks and Size-Tunable Extraframework Organic Cation-Controlled Gas Sorption Properties","Journal of the American Chemical Society","2009","131","","16027","16029","10.1021/ja906302t","","","0.71073","MoKα","","","0.0307","","","0.0755","0.0771","","","","","","1.013","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105302","29.155","0.002","29.155","0.002","17.367","0.003","90","","90","","120","","12784","3","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C84 H117 In3 N3 O24 -","- C84 H117 In3 N3 O24 -","- C504 H702 In18 N18 O144 -","6","0.333333","","Shumei Chen; Jian Zhang; Tao Wu; Pingyun Feng; Xianhui Bu","Multiroute Synthesis of Porous Anionic Frameworks and Size-Tunable Extraframework Organic Cation-Controlled Gas Sorption Properties","Journal of the American Chemical Society","2009","131","","16027","16029","10.1021/ja906302t","","","0.71073","MoKα","","0.0732","0.0584","","","0.1289","0.147","","","","","","1.052","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105303","20.431","0.0001","20.431","0.0001","20.431","0.0001","90","","90","","90","","8528.43","0.07","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C36 H12 In3 N0 O24 -","- C36 H12 In3 O24 -","- C144 H48 In12 O96 -","4","0.0833333","","Shumei Chen; Jian Zhang; Tao Wu; Pingyun Feng; Xianhui Bu","Multiroute Synthesis of Porous Anionic Frameworks and Size-Tunable Extraframework Organic Cation-Controlled Gas Sorption Properties","Journal of the American Chemical Society","2009","131","","16027","16029","10.1021/ja906302t","","","0.71073","MoKα","","0.0638","0.0547","","","0.1632","0.1663","","","","","","1.13","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105304","20.4639","0.0001","20.4639","0.0001","20.4639","0.0001","90","","90","","90","","8569.69","0.07","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C54 H60 In3 N3 O33 -","- C54 In3 N3 O33 -","- C216 In12 N12 O132 -","4","0.0833333","","Shumei Chen; Jian Zhang; Tao Wu; Pingyun Feng; Xianhui Bu","Multiroute Synthesis of Porous Anionic Frameworks and Size-Tunable Extraframework Organic Cation-Controlled Gas Sorption Properties","Journal of the American Chemical Society","2009","131","","16027","16029","10.1021/ja906302t","","","0.71073","MoKα","","0.0716","0.059","","","0.1676","0.173","","","","","","1.113","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105305","20.4029","0.0008","20.4029","0.0008","20.4029","0.0008","90","","90","","90","","8493.3","0.6","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C36 H12 In3 N0 O24 -","- C36 H12 In3 O24 -","- C144 H48 In12 O96 -","4","0.0833333","","Shumei Chen; Jian Zhang; Tao Wu; Pingyun Feng; Xianhui Bu","Multiroute Synthesis of Porous Anionic Frameworks and Size-Tunable Extraframework Organic Cation-Controlled Gas Sorption Properties","Journal of the American Chemical Society","2009","131","","16027","16029","10.1021/ja906302t","","","0.71073","MoKα","","0.0576","0.0482","","","0.1398","0.1481","","","","","","1.073","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105306","20.3878","0.0004","20.3878","0.0004","20.3878","0.0004","90","","90","","90","","8474.4","0.3","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C36 H0 In3 N0 O24 -","- C36 In3 O24 -","- C144 In12 O96 -","4","0.0833333","","Shumei Chen; Jian Zhang; Tao Wu; Pingyun Feng; Xianhui Bu","Multiroute Synthesis of Porous Anionic Frameworks and Size-Tunable Extraframework Organic Cation-Controlled Gas Sorption Properties","Journal of the American Chemical Society","2009","131","","16027","16029","10.1021/ja906302t","","","0.71073","MoKα","","0.0405","0.0385","","","0.136","0.1369","","","","","","1.323","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105307","11.4455","0.0007","14.181","0.0008","16.6488","0.001","77.11","0.001","74.535","0.001","66.732","0.001","2371.3","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Molybdenum AsP2","","","- C43.98 H58.03 As Mo N3 O5 P2 W -","- C43.982 H58.036 As Mo N3 O5 P2 W -","- C87.964 H116.072 As2 Mo2 N6 O10 P4 W2 -","2","1","","Heather A. Spinney; Nicholas A. Piro; Christopher C. Cummins","Triple-Bond Reactivity of an AsP Complex Intermediate: Synthesis Stemming from Molecular Arsenic, As4","Journal of the American Chemical Society","2009","131","","16233","16243","10.1021/ja906550h","","","0.71073","MoKα","","0.039","0.0283","","","0.0607","0.0652","","","","","","1.032","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105308","11.749","0.0005","16.47","0.0007","17.3444","0.0007","69.876","0.001","78.401","0.001","87.067","0.001","3086.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(Mes*NPAs)Nb(N[Np]Ar)3","","","- C61 H99 As N4 Nb O P -","- C61 H99 As N4 Nb O P -","- C122 H198 As2 N8 Nb2 O2 P2 -","2","1","","Heather A. Spinney; Nicholas A. Piro; Christopher C. Cummins","Triple-Bond Reactivity of an AsP Complex Intermediate: Synthesis Stemming from Molecular Arsenic, As4","Journal of the American Chemical Society","2009","131","","16233","16243","10.1021/ja906550h","","","0.71073","MoKα","","0.0667","0.0413","","","0.0939","0.1033","","","","","","1.012","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105309","13.8402","0.0016","9.094","0.001","15.3767","0.0017","90","","109.567","0.002","90","","1823.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","AsPW(CO)5 Cyclohexadiene Trap","","","- C17 H16 As O5 P W -","- C17 H16 As O5 P W -","- C68 H64 As4 O20 P4 W4 -","4","1","","Heather A. Spinney; Nicholas A. Piro; Christopher C. Cummins","Triple-Bond Reactivity of an AsP Complex Intermediate: Synthesis Stemming from Molecular Arsenic, As4","Journal of the American Chemical Society","2009","131","","16233","16243","10.1021/ja906550h","","","0.71073","MoKα","","0.0178","0.0155","","","0.0351","0.0362","","","","","","1.051","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105310","15.411","0.007","7.065","0.003","18.782","0.009","90","","102.912","0.008","90","","1993.3","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","AsPW(CO)5 Butadiene trap","","","- C17 H20 As O5 P W -","- C17 H20 As O5 P W -","- C68 H80 As4 O20 P4 W4 -","4","1","","Heather A. Spinney; Nicholas A. Piro; Christopher C. Cummins","Triple-Bond Reactivity of an AsP Complex Intermediate: Synthesis Stemming from Molecular Arsenic, As4","Journal of the American Chemical Society","2009","131","","16233","16243","10.1021/ja906550h","","","0.71073","MoKα","","0.0273","0.021","","","0.0518","0.0551","","","","","","1.057","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105311","13.998","0.003","25.218","0.005","19.476","0.004","90","","95.353","0.004","90","","6845","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","niobium arsenide anion","","","- C63 H112 As N3 Na Nb O10 -","- C63 H112 As N3 Na Nb O10 -","- C252 H448 As4 N12 Na4 Nb4 O40 -","4","1","","Heather A. Spinney; Nicholas A. Piro; Christopher C. Cummins","Triple-Bond Reactivity of an AsP Complex Intermediate: Synthesis Stemming from Molecular Arsenic, As4","Journal of the American Chemical Society","2009","131","","16233","16243","10.1021/ja906550h","","","0.71073","MoKα","","0.0743","0.0414","","","0.0908","0.1055","","","","","","1.029","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105312","20.6006","0.001","11.2495","0.0005","22.3478","0.001","90","","115.889","0.001","90","","4659.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45.5 H74 As N3 Na Nb O -","- C45.504 H74.008 As N3 Na Nb O1.001 -","- C182.016 H296.032 As4 N12 Na4 Nb4 O4.004 -","4","1","","Heather A. Spinney; Nicholas A. Piro; Christopher C. Cummins","Triple-Bond Reactivity of an AsP Complex Intermediate: Synthesis Stemming from Molecular Arsenic, As4","Journal of the American Chemical Society","2009","131","","16233","16243","10.1021/ja906550h","","","0.71073","MoKα","","0.0492","0.0344","","","0.0803","0.0886","","","","","","1.037","","","","has coordinates,has disorder","286259","2023-09-07","06:02:01",""
"4105313","10.5271","0.0009","13.3224","0.0009","15.1121","0.0013","90","","109.569","0.006","90","","1997","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 B Fe Li O2 -","- C18 H32 B Fe Li O2 -","- C72 H128 B4 Fe4 Li4 O8 -","4","1","","Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner","Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers","Journal of the American Chemical Society","2009","131","","16319","16329","10.1021/ja906575s","","","0.71073","MoKα","","0.0574","0.0454","","","0.1214","0.1262","","","","","","1.072","","","","has coordinates","264764","2021-05-03","08:11:06",""
"4105314","11.1642","0.0013","11.4223","0.0014","11.9409","0.0015","73.147","0.01","81.396","0.01","87.087","0.01","1440.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 B Fe Li O -","- C14 H22 B Fe Li O -","- C56 H88 B4 Fe4 Li4 O4 -","4","2","","Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner","Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers","Journal of the American Chemical Society","2009","131","","16319","16329","10.1021/ja906575s","","","0.71073","MoKα","","0.065","0.0344","","","0.0662","0.0722","","","","","","0.857","","","","has coordinates","264764","2021-05-03","08:11:06",""
"4105315","14.798","0.003","15.367","0.003","17.476","0.004","103.324","0.016","92.741","0.016","99.274","0.016","3801.6","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.33 H81.33 B4 Fe2 Li4 O5.33 -","- C41.3333 H81.3333 B4 Fe2 Li4 O5.33333 -","- C124 H244 B12 Fe6 Li12 O16 -","3","1.5","","Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner","Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers","Journal of the American Chemical Society","2009","131","","16319","16329","10.1021/ja906575s","","","0.71073","MoKα","","0.1554","0.0535","","","0.079","0.1018","","","","","","0.667","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105316","16.2127","0.0018","5.8859","0.0009","25.442","0.003","90","","90","","90","","2427.8","0.5","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H17 B Fe S -","- C12 H17 B Fe S -","- C96 H136 B8 Fe8 S8 -","8","2","","Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner","Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers","Journal of the American Chemical Society","2009","131","","16319","16329","10.1021/ja906575s","","","0.71073","MoKα","","0.084","0.0436","","","0.0905","0.101","","","","","","0.787","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105317","5.944","0.002","9.561","0.003","9.609","0.003","113.82","0.02","97.85","0.03","92.99","0.03","491.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 B2 Fe N2 -","- C18 H34 B2 Fe N2 -","- C18 H34 B2 Fe N2 -","1","0.5","","Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner","Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers","Journal of the American Chemical Society","2009","131","","16319","16329","10.1021/ja906575s","","","0.71073","MoKα","","0.1506","0.1251","","","0.3335","0.3527","","","","","","1.237","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105318","7.4731","0.0011","29.742","0.005","9.3452","0.0018","90","","90.12","0.014","90","","2077.1","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 B Fe2 -","- C26 H29 B Fe2 -","- C104 H116 B4 Fe8 -","4","1","","Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner","Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers","Journal of the American Chemical Society","2009","131","","16319","16329","10.1021/ja906575s","","","0.71073","MoKα","","0.1359","0.0652","","","0.1323","0.1544","","","","","","0.811","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105319","12.778","0.003","12.778","0.003","6.697","0.0014","90","","90","","120","","947","0.4","173","2","173","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C18 H33 B -","- C18 H33 B -","- C36 H66 B2 -","2","0.166667","","Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner","Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers","Journal of the American Chemical Society","2009","131","","16319","16329","10.1021/ja906575s","","","0.71073","MoKα","","0.1477","0.1134","","","0.3059","0.3449","","","","","","1.075","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105320","7.675","0.0006","10.6775","0.0006","27.069","0.002","90","","96.613","0.006","90","","2203.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 B Fe2 -","- C28 H25 B Fe2 -","- C112 H100 B4 Fe8 -","4","1","","Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner","Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers","Journal of the American Chemical Society","2009","131","","16319","16329","10.1021/ja906575s","","","0.71073","MoKα","","0.0643","0.0495","","","0.1203","0.1259","","","","","","1.125","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105321","7.3279","0.0004","10.6551","0.0004","27.7377","0.0016","90","","91.604","0.005","90","","2164.9","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 B Fe2 -","- C26 H29 B Fe2 -","- C104 H116 B4 Fe8 -","4","1","","Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner","Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers","Journal of the American Chemical Society","2009","131","","16319","16329","10.1021/ja906575s","","","0.71073","MoKα","","0.0307","0.0287","","","0.0603","0.0624","","","","","","1.066","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105322","20.701","0.005","43.699","0.011","8.231","0.002","90","","90","","90","","7446","3","90","2","90","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C48 H52 Ge -","- C48 H52 Ge -","- C384 H416 Ge8 -","8","0.5","","Yang Peng; Jing-Dong Guo; Bobby D. Ellis; Zhongliang Zhu; James C. Fettinger; Shigeru Nagase; Philip P. Power","Reaction of Hydrogen or Ammonia with Unsaturated Germanium or Tin Molecules under Ambient Conditions: Oxidative Addition versus Arene Elimination","Journal of the American Chemical Society","2009","131","","16272","16282","10.1021/ja9068408","","","0.71073","MoKα","","0.0673","0.0462","","","0.1017","0.1118","","","","","","1.009","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105323","8.5642","0.001","21.275","0.003","23.86","0.003","90","","89.973","0.002","90","","4347.4","1","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H61 Ge N -","- C55 H61 Ge N -","- C220 H244 Ge4 N4 -","4","1","","Yang Peng; Jing-Dong Guo; Bobby D. Ellis; Zhongliang Zhu; James C. Fettinger; Shigeru Nagase; Philip P. Power","Reaction of Hydrogen or Ammonia with Unsaturated Germanium or Tin Molecules under Ambient Conditions: Oxidative Addition versus Arene Elimination","Journal of the American Chemical Society","2009","131","","16272","16282","10.1021/ja9068408","","","0.71073","MoKα","","0.0333","0.0308","","","0.0804","0.0818","","","","","","1.03","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105324","13.581","0.002","35.514","0.006","11.6831","0.0019","90","","99.55","0.003","90","","5556.8","1.5","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C67 H85 Ge N -","- C67 H85 Ge N -","- C268 H340 Ge4 N4 -","4","0.5","","Yang Peng; Jing-Dong Guo; Bobby D. Ellis; Zhongliang Zhu; James C. Fettinger; Shigeru Nagase; Philip P. Power","Reaction of Hydrogen or Ammonia with Unsaturated Germanium or Tin Molecules under Ambient Conditions: Oxidative Addition versus Arene Elimination","Journal of the American Chemical Society","2009","131","","16272","16282","10.1021/ja9068408","","","0.71069","MoKα","","0.1275","0.0746","","","0.124","0.1381","","","","","","1.037","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105325","8.6345","0.0012","12.8195","0.0018","21.717","0.003","102.628","0.0019","95.034","0.002","93.0434","0.0019","2330.2","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H62 N2 Sn2 -","- C55 H62 N2 Sn2 -","- C110 H124 N4 Sn4 -","2","1","","Yang Peng; Jing-Dong Guo; Bobby D. Ellis; Zhongliang Zhu; James C. Fettinger; Shigeru Nagase; Philip P. Power","Reaction of Hydrogen or Ammonia with Unsaturated Germanium or Tin Molecules under Ambient Conditions: Oxidative Addition versus Arene Elimination","Journal of the American Chemical Society","2009","131","","16272","16282","10.1021/ja9068408","","","0.71073","MoKα","","0.0429","0.0325","","","0.0838","0.087","","","","","","1.066","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105326","5.3337","0.0003","8.4781","0.0005","10.0357","0.0006","90","","99.05","0.006","90","","448.16","0.05","295","1","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N O -","- C9 H15 N O -","- C18 H30 N2 O2 -","2","1","","William J. Nodes; David R. Nutt; Ann M. Chippindale; Alexander J. A. Cobb","Enantioselective Intramolecular Michael Addition of Nitronates onto Conjugated Esters: Access to Cyclic γ-Amino Acids with up to Three Stereocenters","Journal of the American Chemical Society","2009","131","","16016","16017","10.1021/ja9070915","","","1.5418","CuKα","","0.0341","0.0321","","0.0377","0.0376","0.0376","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105327","14.5595","0.0015","12.4587","0.0013","15.6241","0.0017","90","","97.105","0.003","90","","2812.3","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H86 N6 O11 -","- C51 H86 N6 O11 -","- C102 H172 N12 O22 -","2","1","","Li Guo; Yonggui Chi; Aaron M. Almeida; Ilia A. Guzei; Brian K. Parker; Samuel H. Gellman","Stereospecific Synthesis of Conformationally Constrained γ-Amino Acids: New Foldamer Building Blocks That Support Helical Secondary Structure","Journal of the American Chemical Society","2009","131","","16018","16020","10.1021/ja907233q","","","1.54178","Cu-Kα","","0.0445","0.0419","","","0.1049","0.107","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105328","10.77","0.003","17.053","0.005","11.738","0.004","90","","99.878","0.019","90","","2123.9","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H64 N4 O7 -","- C44 H64 N4 O7 -","- C88 H128 N8 O14 -","2","1","","Li Guo; Yonggui Chi; Aaron M. Almeida; Ilia A. Guzei; Brian K. Parker; Samuel H. Gellman","Stereospecific Synthesis of Conformationally Constrained γ-Amino Acids: New Foldamer Building Blocks That Support Helical Secondary Structure","Journal of the American Chemical Society","2009","131","","16018","16020","10.1021/ja907233q","","","1.54178","Cu-Kα","","0.0272","0.027","","","0.0706","0.0708","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105329","6.9458","0.0014","6.5551","0.0013","9.955","0.002","90","","90.42","0.003","90","","453.24","0.16","173","2","173","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- K4 P8 Te4 -","- K4 P8 Te4 -","- K4 P8 Te4 -","1","0.25","","In Chung; Jung-Hwan Song; Myung Gil Kim; Christos D. Malliakas; Angela L. Karst; Arthur J. Freeman; David P. Weliky; Mercouri G. Kanatzidis","The Tellurophosphate K4P8Te4: Phase-Change Properties, Exfoliation, Photoluminescence in Solution and Nanospheres","Journal of the American Chemical Society","2009","131","","16303","16312","10.1021/ja907273g","","","0.71073","MoKα","","0.056","0.0397","","","0.0889","0.0958","","","","","","1.099","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105330","14.485","0.003","19.552","0.004","29.126","0.006","90","","90","","90","","8249","3","153.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C75 H110 N2 O32 -","- C75 H110 N2 O32 -","- C300 H440 N8 O128 -","4","1","","Jun Terao; Susumu Tsuda; Yuji Tanaka; Kento Okoshi; Tetsuaki Fujihara; Yasushi Tsuji; Nobuaki Kambe","Synthesis of Organic-Soluble Conjugated Polyrotaxanes by Polymerization of Linked Rotaxanes","Journal of the American Chemical Society","2009","131","","16004","16005","10.1021/ja9074437","","","0.7107","MoKα","","","0.103","","","","0.2319","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105331","10.681","0.002","15.35","0.003","18.887","0.004","90","","92.59","0.03","90","","3093.4","1.1","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","6-KetoDipp-Triflate","","","- C31 H41 F3 N2 O5 S -","- C31 H41 F3 N2 O5 S -","- C124 H164 F12 N8 O20 S4 -","4","1","","Todd W. Hudnall; Christopher W. Bielawski","An N,N'-Diamidocarbene: Studies in C-H Insertion, Reversible Carbonylation, and Transition-Metal Coordination Chemistry","Journal of the American Chemical Society","2009","131","","16039","16041","10.1021/ja907481w","","","0.71073","MoKα","","0.0987","0.0666","","","0.142","0.171","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105332","15.726","0.003","9.803","0.002","17.111","0.003","90","","90","","90","","2637.9","0.9","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","6-KetoDipp-carbene","","","- C30 H40 N2 O2 -","- C30 H40 N2 O2 -","- C120 H160 N8 O8 -","4","1","","Todd W. Hudnall; Christopher W. Bielawski","An N,N'-Diamidocarbene: Studies in C-H Insertion, Reversible Carbonylation, and Transition-Metal Coordination Chemistry","Journal of the American Chemical Society","2009","131","","16039","16041","10.1021/ja907481w","","","0.71073","MoKα","","0.0475","0.0385","","","0.0897","0.1024","","","","","","1.005","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105333","10.617","0.002","11.695","0.002","16.402","0.003","82.83","0.03","87.57","0.03","79.23","0.03","1984.7","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","6-KetoDipp-Ketene","","","- C37 H58 N3 Na O3 Si2 -","- C37 H58 N3 Na O3 Si2 -","- C74 H116 N6 Na2 O6 Si4 -","2","1","","Todd W. Hudnall; Christopher W. Bielawski","An N,N'-Diamidocarbene: Studies in C-H Insertion, Reversible Carbonylation, and Transition-Metal Coordination Chemistry","Journal of the American Chemical Society","2009","131","","16039","16041","10.1021/ja907481w","","","0.71073","MoKα","","0.2894","0.1038","","","0.1437","0.2015","","","","","","1.028","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105334","16.468","0.003","19.084","0.004","11.224","0.002","90","","90","","90","","3527.4","1.2","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","6-KetoDipp-Ir(COD)Cl","","","- C38 H52 Cl Ir N2 O2 -","- C38 H52 Cl Ir N2 O2 -","- C152 H208 Cl4 Ir4 N8 O8 -","4","0.5","","Todd W. Hudnall; Christopher W. Bielawski","An N,N'-Diamidocarbene: Studies in C-H Insertion, Reversible Carbonylation, and Transition-Metal Coordination Chemistry","Journal of the American Chemical Society","2009","131","","16039","16041","10.1021/ja907481w","","","0.71073","MoKα","","0.0438","0.0257","","","0.0714","0.1083","","","","","","1.005","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105335","10.0543","0.0003","26.7727","0.0008","16.572","0.0005","90","","103.799","0.001","90","","4332.1","0.2","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H68 N3 O2 Si2 Y -","- C38 H68 N3 O2 Si2 Y -","- C152 H272 N12 O8 Si8 Y4 -","4","1","","John W. Kramer; Daniel S. Treitler; Erin W. Dunn; Pascal M. Castro; Thierry Roisnel; Christophe M. Thomas; Geoffrey W. Coates","Polymerization of Enantiopure Monomers Using Syndiospecific Catalysts: A New Approach To Sequence Control in Polymer Synthesis","Journal of the American Chemical Society","2009","131","","16042","16044","10.1021/ja9075327","","x-ray","0.71073","MoKα","","0.0653","0.0409","","","0.0901","0.0982","","","","","","1.031","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105336","9.9384","0.0005","14.0259","0.0009","16.6178","0.0012","104.902","0.003","98.051","0.003","100.395","0.003","2159","0.2","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C86 H150 N4 O6 Y2 -","- C86 H150 N4 O6 Y2 -","- C86 H150 N4 O6 Y2 -","1","0.5","","John W. Kramer; Daniel S. Treitler; Erin W. Dunn; Pascal M. Castro; Thierry Roisnel; Christophe M. Thomas; Geoffrey W. Coates","Polymerization of Enantiopure Monomers Using Syndiospecific Catalysts: A New Approach To Sequence Control in Polymer Synthesis","Journal of the American Chemical Society","2009","131","","16042","16044","10.1021/ja9075327","","x-ray","0.71073","MoKα","","0.0924","0.0574","","","0.1189","0.131","","","","","","0.975","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105337","16.09457","0.00026","16.09457","","3.98958","0.00008","90","","90","","90","","1033.44","0.03","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley","Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response","Journal of the American Chemical Society","2009","131","","16012","16013","10.1021/ja908238w","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.18414","","","","","","","","","has coordinates,has Fobs","178799","2020-10-21","18:00:00",""
"4105338","16.07661","0.00018","16.07661","","3.94232","0.00006","90","","90","","90","","1018.92","0.019","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley","Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response","Journal of the American Chemical Society","2009","131","","16012","16013","10.1021/ja908238w","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.12574","","","","","","","","","has coordinates,has Fobs","178799","2020-10-21","18:00:00",""
"4105339","15.90088","0.00027","15.90088","","3.80246","0.00008","90","","90","","90","","961.41","0.03","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley","Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response","Journal of the American Chemical Society","2009","131","","16012","16013","10.1021/ja908238w","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.09667","","","","","","","","","has coordinates,has Fobs","178799","2020-10-21","18:00:00",""
"4105340","15.83767","0.00024","15.83767","","3.73814","0.00007","90","","90","","90","","937.64","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley","Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response","Journal of the American Chemical Society","2009","131","","16012","16013","10.1021/ja908238w","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.08648","","","","","","","","","has coordinates,has Fobs","178799","2020-10-21","18:00:00",""
"4105341","15.78087","0.00028","15.78087","","3.6909","0.00008","90","","90","","90","","919.17","0.03","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley","Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response","Journal of the American Chemical Society","2009","131","","16012","16013","10.1021/ja908238w","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.07402","","","","","","","","","has coordinates,has Fobs","178799","2020-10-21","18:00:00",""
"4105342","10.1169","0.0002","14.662","0.0003","21.1692","0.0005","90","","90","","90","","3140.11","0.12","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C144 H144 O40 -","8","1","","Philip Magnus; Neeraj Sane; Benjamin P. Fauber; Vince Lynch","Concise Syntheses of (-)-Galanthamine and (\±)-Codeine via Intramolecular Alkylation of a Phenol Derivative","Journal of the American Chemical Society","2009","131","","16045","16047","10.1021/ja9085534","","","0.71073","MoKα","","0.0793","0.048","","","0.1134","0.1307","","","","","","0.988","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105343","9.6329","0.0002","20.8917","0.0006","7.191","0.0003","90","","109.168","0.0013","90","","1366.94","0.08","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O6 -","- C16 H15.94 O6 -","- C64 H63.76 O24 -","4","1","","Philip Magnus; Neeraj Sane; Benjamin P. Fauber; Vince Lynch","Concise Syntheses of (-)-Galanthamine and (\±)-Codeine via Intramolecular Alkylation of a Phenol Derivative","Journal of the American Chemical Society","2009","131","","16045","16047","10.1021/ja9085534","","","0.71073","MoKα","","0.064","0.042","","","0.0927","0.1028","","","","","","1.032","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105344","27.2222","0.0004","6.6121","0.0001","19.9706","0.0005","90","","105.697","0.001","90","","3460.57","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 B N2 O4 -","- C18 H23 B N2 O4 -","- C144 H184 B8 N16 O32 -","8","2","","Philip Magnus; Neeraj Sane; Benjamin P. Fauber; Vince Lynch","Concise Syntheses of (-)-Galanthamine and (\±)-Codeine via Intramolecular Alkylation of a Phenol Derivative","Journal of the American Chemical Society","2009","131","","16045","16047","10.1021/ja9085534","","","1.54187","CuKα","","0.2992","0.1482","","","0.1543","0.2138","","","","","","1.753","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105345","8.4748","0.0002","18.2912","0.0004","11.1855","0.0003","90","","95.346","0.0009","90","","1726.37","0.07","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C76 H76 N4 O24 -","4","1","","Philip Magnus; Neeraj Sane; Benjamin P. Fauber; Vince Lynch","Concise Syntheses of (-)-Galanthamine and (\±)-Codeine via Intramolecular Alkylation of a Phenol Derivative","Journal of the American Chemical Society","2009","131","","16045","16047","10.1021/ja9085534","","","0.71073","MoKα","","0.0737","0.0445","","","0.1018","0.1162","","","","","","0.997","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105346","8.7189","0.0002","9.8011","0.0003","11.0087","0.0003","106.745","0.001","92.89","0.001","109.487","0.001","837.99","0.04","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C38 H42 N2 O12 -","2","1","","Philip Magnus; Neeraj Sane; Benjamin P. Fauber; Vince Lynch","Concise Syntheses of (-)-Galanthamine and (\±)-Codeine via Intramolecular Alkylation of a Phenol Derivative","Journal of the American Chemical Society","2009","131","","16045","16047","10.1021/ja9085534","","","0.71073","MoKα","","0.0578","0.0386","","","0.0903","0.102","","","","","","1.011","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105347","5.7876","0.001","5.7876","","11.6045","0.0014","90","","90","","90","","388.71","0.08","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu In Se2 -","- Cu In Se2 -","- Cu4 In4 Se8 -","4","0.25","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.05031","","8.35","","","","","","","has coordinates,has Fobs","178799","2020-10-21","18:00:00",""
"4105348","18.5035","0.0005","22.3371","0.0006","23.7134","0.0007","90","","90","","90","","9801.1","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H48 Cl16 N4 O18 Rh2 -","- C60 H48 Cl16 N4 O18 Rh2 -","- C240 H192 Cl64 N16 O72 Rh8 -","4","1","","Vincent N. G. Lindsay; Wei Lin; André B. Charette","Experimental Evidence for the All-Up Reactive Conformation of Chiral Rhodium(II) Carboxylate Catalysts: Enantioselective Synthesis of cis-Cyclopropane α-Amino Acids","Journal of the American Chemical Society","2009","131","","16383","16385","10.1021/ja9044955","","","1.54178","CuKα","","0.0841","0.0713","","","0.2063","0.2189","","","","","","1.044","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105349","8.1895","0.0014","5.7464","0.0009","16.269","0.003","90","","97.801","0.005","90","","758.5","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C34 H30 N2 O8 -","2","1","","Vincent N. G. Lindsay; Wei Lin; André B. Charette","Experimental Evidence for the All-Up Reactive Conformation of Chiral Rhodium(II) Carboxylate Catalysts: Enantioselective Synthesis of cis-Cyclopropane α-Amino Acids","Journal of the American Chemical Society","2009","131","","16383","16385","10.1021/ja9044955","","","1.54178","CuKα","","0.0914","0.0535","","","0.1166","0.1303","","","","","","1.14","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105350","19.177","0.0003","22.7929","0.0003","23.4525","0.0003","90","","90","","90","","10251.1","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H42 Br16 N4 O18 Rh2 -","- C56 H42 Br16 N4 O18 Rh2 -","- C224 H168 Br64 N16 O72 Rh8 -","4","1","","Vincent N. G. Lindsay; Wei Lin; André B. Charette","Experimental Evidence for the All-Up Reactive Conformation of Chiral Rhodium(II) Carboxylate Catalysts: Enantioselective Synthesis of cis-Cyclopropane α-Amino Acids","Journal of the American Chemical Society","2009","131","","16383","16385","10.1021/ja9044955","","","1.54178","CuKα","","0.0559","0.0381","","","0.0812","0.0839","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4105351","16.0549","0.0019","21.667","0.003","18.052","0.002","90","","92.792","0.003","90","","6272.1","1.3","200","2","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H64 N4 O20 Rh2 -","- C60 H64 N4 O20 Rh2 -","- C240 H256 N16 O80 Rh8 -","4","2","","Vincent N. G. Lindsay; Wei Lin; André B. Charette","Experimental Evidence for the All-Up Reactive Conformation of Chiral Rhodium(II) Carboxylate Catalysts: Enantioselective Synthesis of cis-Cyclopropane α-Amino Acids","Journal of the American Chemical Society","2009","131","","16383","16385","10.1021/ja9044955","","","0.71073","MoKα","","0.0644","0.051","","","0.1352","0.1432","","","","","","1.043","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105352","22.3018","0.0007","22.3018","","21.439","0.0008","90","","90","","90","","10663.1","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 4 21 2","P 4ab 2ab","90","","","","- C56 H44 Cl16 N4 O18 Rh2 -","- C56 H40 Cl16 N4 O18 Rh2 -","- C224 H160 Cl64 N16 O72 Rh8 -","4","0.5","","Vincent N. G. Lindsay; Wei Lin; André B. Charette","Experimental Evidence for the All-Up Reactive Conformation of Chiral Rhodium(II) Carboxylate Catalysts: Enantioselective Synthesis of cis-Cyclopropane α-Amino Acids","Journal of the American Chemical Society","2009","131","","16383","16385","10.1021/ja9044955","","","1.54178","CuKα","","0.1177","0.0877","","","0.2344","0.2546","","","","","","1.041","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105353","9.0828","0.0018","20.691","0.004","25.599","0.005","90","","90","","90","","4810.9","1.6","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H22 Cl3 N3 Pt -","- C25 H22 Cl3 N3 Pt -","- C200 H176 Cl24 N24 Pt8 -","8","1","","Paul J. Lusby; Peter Müller; Sarah J. Pike; Alexandra M. Z. Slawin","Stimuli-Responsive Reversible Assembly of 2D and 3D Metallosupramolecular Architectures","Journal of the American Chemical Society","2009","131","","16398","16400","10.1021/ja907297z","","","0.71073","MoKα","","0.1012","0.0648","","","0.1437","0.162","","","","","","1.088","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105354","28.995","0.006","11.188","0.002","22.014","0.005","90","","129.933","0.005","90","","5476","2","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H29 N3 O3 Pt S -","- C31 H29 N3 O3 Pt S -","- C248 H232 N24 O24 Pt8 S8 -","8","1","","Paul J. Lusby; Peter Müller; Sarah J. Pike; Alexandra M. Z. Slawin","Stimuli-Responsive Reversible Assembly of 2D and 3D Metallosupramolecular Architectures","Journal of the American Chemical Society","2009","131","","16398","16400","10.1021/ja907297z","","","0.71073","MoKα","","0.11","0.0707","","","0.1651","0.1906","","","","","","1.135","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105355","13.5137","0.0017","13.8563","0.0018","21.01","0.002","97.384","0.007","100.261","0.007","116.076","0.007","3380.6","0.7","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C113 H95 F24 N17 O10 P4 Pt4 -","- C113 H95 F24 N17 O10 P4 Pt4 -","- C113 H95 F24 N17 O10 P4 Pt4 -","1","0.5","","Paul J. Lusby; Peter Müller; Sarah J. Pike; Alexandra M. Z. Slawin","Stimuli-Responsive Reversible Assembly of 2D and 3D Metallosupramolecular Architectures","Journal of the American Chemical Society","2009","131","","16398","16400","10.1021/ja907297z","","","0.71073","MoKα","","0.0729","0.0673","","","0.1857","0.1944","","","","","","1.046","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105356","12.0825","0.0008","12.0825","0.0008","17.397","0.0011","90","","90","","90","","2539.7","0.3","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C30 H30 N2 O4 -","- C30 H28 N2 O4 -","- C120 H112 N8 O16 -","4","0.5","","Marwan W. Ghosn; Christian Wolf","Chiral Amplification with a Stereodynamic Triaryl Probe: Assignment of the Absolute Configuration and Enantiomeric Excess of Amino Alcohols","Journal of the American Chemical Society","2009","131","","16360","16361","10.1021/ja907741v","","","0.71073","MoKα","","0.0551","0.0484","","","0.1184","0.123","","","","","","1.062","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105357","12.0796","0.0007","12.0796","0.0007","17.3913","0.001","90","","90","","90","","2537.7","0.3","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C120 H120 N8 O16 -","4","0.5","","Marwan W. Ghosn; Christian Wolf","Chiral Amplification with a Stereodynamic Triaryl Probe: Assignment of the Absolute Configuration and Enantiomeric Excess of Amino Alcohols","Journal of the American Chemical Society","2009","131","","16360","16361","10.1021/ja907741v","","","0.71073","MoKα","","0.0351","0.0316","","","0.0784","0.081","","","","","","1.035","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105358","12.3733","0.0013","12.3733","0.0013","17.4603","0.0019","90","","90","","90","","2673.1","0.5","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C32 H34 N2 O4 -","- C32 H34 N2 O4 -","- C128 H136 N8 O16 -","4","0.5","","Marwan W. Ghosn; Christian Wolf","Chiral Amplification with a Stereodynamic Triaryl Probe: Assignment of the Absolute Configuration and Enantiomeric Excess of Amino Alcohols","Journal of the American Chemical Society","2009","131","","16360","16361","10.1021/ja907741v","","","0.71073","MoKα","","0.0945","0.0505","","","0.0741","0.0845","","","","","","1.043","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105359","11.1036","0.0009","12.5845","0.0011","20.5049","0.0017","90","","100.568","0.001","90","","2816.6","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C59 H82 Br2 Mo N2 O2 Si -","- C59 H82 Br2 Mo N2 O2 Si -","- C118 H164 Br4 Mo2 N4 O4 Si2 -","2","1","","Simon J. Meek; Steven J. Malcolmson; Bo Li; Richard R. Schrock; Amir H. Hoveyda","The Significance of Degenerate Processes to Enantioselective Olefin Metathesis Reactions Promoted by Stereogenic-at-Mo Complexes","Journal of the American Chemical Society","2009","131","","16407","16409","10.1021/ja907805f","","","0.71073","MoKα","","0.0257","0.0237","","","0.0531","0.0535","","","","","","0.941","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105360","8.425","0.005","9.548","0.004","11.843","0.007","90","","108.59","0.06","90","","903","0.9","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","rac-(1R,4S,6R)-4,6-Dimethyl-2-methylene-1,3-dithiane-1-oxide","","- C7 H12 O S2 -","- C7 H12 O S2 -","- C28 H48 O4 S8 -","4","1","","Roland Ulshöfer; Joachim Podlech","Stereoelectronic Effects in Vinyl Sulfoxides","Journal of the American Chemical Society","2009","131","","16618","16619","10.1021/ja904354g","","","0.71073","MoKα","","0.0354","0.0313","","","0.0803","0.0828","","","","","","1.031","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105361","9.669","","11.802","","10.02","","90","","111.59","","90","","1063.2","","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","rac-(1R,4S,6R)-4,6-Dimethyl-2-(propan-2-ylidene)-1,3-dithiane-1-oxide","","- C9 H16 O S2 -","- C9 H16 O S2 -","- C36 H64 O4 S8 -","4","1","","Roland Ulshöfer; Joachim Podlech","Stereoelectronic Effects in Vinyl Sulfoxides","Journal of the American Chemical Society","2009","131","","16618","16619","10.1021/ja904354g","","","0.71073","MoKα","","0.0483","0.0391","","","0.1175","0.122","","","","","","1.07","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105362","10.3288","0.0003","12.5828","0.0003","14.4276","0.0004","110.315","0.002","99.272","0.001","100.188","0.002","1679.67","0.08","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C39 H47 B N6 -","- C39 H47 B N6 -","- C78 H94 B2 N12 -","2","1","","Martyn P. Coles; Pedro J. Aragón-Sáez; Sarah H. Oakley; Peter B. Hitchcock; Matthew G. Davidson; Zvonimir B. Maksić; Robert Vianello; Ivo Leito; Ivari Kaljurand; David C. Apperley","Superbasicity of a Bis-guanidino Compound with a Flexible Linker: A Theoretical and Experimental Study","Journal of the American Chemical Society","2009","131","","16858","16868","10.1021/ja906618g","","x-ray","0.71073","MoKα","","0.0948","0.0622","","","0.1571","0.1796","","","","","","1.024","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105363","10.2719","0.0003","12.4868","0.0003","14.3087","0.0005","109.992","0.002","99.77","0.001","100.197","0.002","1644.02","0.09","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H47 B N6 -","- C38.994 H47 B N6 -","- C77.988 H94 B2 N12 -","2","1","","Martyn P. Coles; Pedro J. Aragón-Sáez; Sarah H. Oakley; Peter B. Hitchcock; Matthew G. Davidson; Zvonimir B. Maksić; Robert Vianello; Ivo Leito; Ivari Kaljurand; David C. Apperley","Superbasicity of a Bis-guanidino Compound with a Flexible Linker: A Theoretical and Experimental Study","Journal of the American Chemical Society","2009","131","","16858","16868","10.1021/ja906618g","","x-ray","0.71073","MoKα","","0.0613","0.0459","","","0.1269","0.1421","","","","","","1.052","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105364","10.174","0.0005","12.377","0.0007","14.195","0.0008","109.885","0.002","100.387","0.002","99.863","0.004","1600.23","0.16","50","2","50","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H47 B N6 -","- C38.994 H47 B N6 -","- C77.988 H94 B2 N12 -","2","1","","Martyn P. Coles; Pedro J. Aragón-Sáez; Sarah H. Oakley; Peter B. Hitchcock; Matthew G. Davidson; Zvonimir B. Maksić; Robert Vianello; Ivo Leito; Ivari Kaljurand; David C. Apperley","Superbasicity of a Bis-guanidino Compound with a Flexible Linker: A Theoretical and Experimental Study","Journal of the American Chemical Society","2009","131","","16858","16868","10.1021/ja906618g","","","0.71073","MoKα","","0.0825","0.0503","","","0.1197","0.135","","","","","","1.027","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105365","14.99","0.0001","14.99","0.0001","14.99","0.0001","63.763","","63.763","","63.763","","2579.48","0.03","173","2","173","2","","","","","","","","8","R -3 :R","-P 3*","148","","","","- C103 H90 Au6 B2 F8 N6 O3 P6 -","- C103 Au6 B2 F8 N6 O3 P6 -","- C103 Au6 B2 F8 N6 O3 P6 -","1","0.166667","","Jian-Hua Jia; Quan-Ming Wang","Intensely Luminescent Gold(I)-Silver(I) Cluster with Hypercoordinated Carbon","Journal of the American Chemical Society","2009","131","","16634","16635","10.1021/ja906695h","","","0.71073","MoKα","","0.0435","0.0267","","","0.0625","0.0645","","","","","","0.932","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105366","15.5515","0.0008","27.1485","0.0009","16.1075","0.0007","90","","114.276","0.005","90","","6199.2","0.5","223","2","223","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C107 H94 Ag2 Au6 B4 Cl8 F16 N6 O P6 -","- C107 H94 Ag2 Au6 B4 Cl8 F16 N6 O P6 -","- C214 H188 Ag4 Au12 B8 Cl16 F32 N12 O2 P12 -","2","0.5","","Jian-Hua Jia; Quan-Ming Wang","Intensely Luminescent Gold(I)-Silver(I) Cluster with Hypercoordinated Carbon","Journal of the American Chemical Society","2009","131","","16634","16635","10.1021/ja906695h","","","0.71073","MoKα","","0.1156","0.051","","","0.1066","0.1148","","","","","","0.901","","","","has coordinates","188980","2020-10-21","18:00:00",""
"4105367","6.7176","0.0013","12.24","0.002","7.1196","0.0014","90","","109.84","0.03","90","","550.7","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C26 H32 O4 -","2","1","","K. C. Nicolaou; Ang Li; David J. Edmonds; G. Scott Tria; Shelby P. Ellery","Total Synthesis of Platensimycin and Related Natural Products","Journal of the American Chemical Society","2009","131","","16905","16918","10.1021/ja9068003","","","0.71073","MoKα","","0.064","0.0484","","","0.0984","0.1061","","","","","","1.027","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105368","5.2036","0.001","13.466","0.003","30.421","0.006","90","","90","","90","","2131.7","0.8","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Br N2 O4 S -","- C21 H23 Br N2 O4 S -","- C84 H92 Br4 N8 O16 S4 -","4","1","","K. C. Nicolaou; Ang Li; David J. Edmonds; G. Scott Tria; Shelby P. Ellery","Total Synthesis of Platensimycin and Related Natural Products","Journal of the American Chemical Society","2009","131","","16905","16918","10.1021/ja9068003","","","0.71073","MoKα","","0.0784","0.0553","","","0.1078","0.1165","","","","","","1.071","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105369","6.1733","0.0006","11.7996","0.0014","22.9584","0.0018","90","","90","","90","","1672.3","0.3","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2S,6R)-6-(benzyloxymethyl)-2-isopropyl-5,5-dimethyl-1,3-dioxan-4-ol","","- C17 H26 O4 -","- C17 H26 O4 -","- C68 H104 O16 -","4","1","","Morris Markert; Ulf Scheffler; Rainer Mahrwald","Asymmetric Histidine-Catalyzed Cross-Aldol Reactions of Enolizable Aldehydes: Access to Defined Configured Quaternary Stereogenic Centers","Journal of the American Chemical Society","2009","131","","16642","16643","10.1021/ja907054y","","","1.54186","CuKα","","0.0814","0.075","","","0.1963","0.2023","","","","","","1.06","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105370","6.0434","0.0009","8.5691","0.001","10.8387","0.0015","90","","95.146","0.018","90","","559.04","0.13","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2- dimethylpropanal","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","1","","Morris Markert; Ulf Scheffler; Rainer Mahrwald","Asymmetric Histidine-Catalyzed Cross-Aldol Reactions of Enolizable Aldehydes: Access to Defined Configured Quaternary Stereogenic Centers","Journal of the American Chemical Society","2009","131","","16642","16643","10.1021/ja907054y","","","0.71073","MoKα","","0.0305","0.0297","","","0.0767","0.0772","","","","","","1.055","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105371","9.8337","0.0013","9.8337","0.0013","5.9948","0.0007","90","","90","","120","","502.04","0.11","180","2","180","2","","","","","","","","3","P 32","P 32","145","","(S)-3-hydroxy-4,4-dimethyldihydrofuran-2(3H)-one","","- C6 H10 O3 -","- C6 H10 O3 -","- C18 H30 O9 -","3","1","","Morris Markert; Ulf Scheffler; Rainer Mahrwald","Asymmetric Histidine-Catalyzed Cross-Aldol Reactions of Enolizable Aldehydes: Access to Defined Configured Quaternary Stereogenic Centers","Journal of the American Chemical Society","2009","131","","16642","16643","10.1021/ja907054y","","","0.71073","MoKα","","0.0319","0.0256","","","0.0469","0.0479","","","","","","0.967","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105372","8.0425","0.0013","6.6274","0.0008","25.446","0.005","90","","93.479","0.014","90","","1353.8","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-((R)-2,2-dimethyl-1,3-dioxalan-4-yl)((S)-4-(hydroxymethyl)2,2- dimethyl-1,3-dioxolan-4-yl)methanol","","- C12 H22 O6 -","- C12 H22 O6 -","- C48 H88 O24 -","4","2","","Morris Markert; Ulf Scheffler; Rainer Mahrwald","Asymmetric Histidine-Catalyzed Cross-Aldol Reactions of Enolizable Aldehydes: Access to Defined Configured Quaternary Stereogenic Centers","Journal of the American Chemical Society","2009","131","","16642","16643","10.1021/ja907054y","","","0.71073","MoKα","","0.1142","0.0883","","","0.2102","0.2329","","","","","","0.993","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105373","9.5917","0.0004","13.0319","0.0005","10.8481","0.0004","90","","96.686","0.003","90","","1346.77","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Au(Etthiazdt)2NEt4","","","- C36 H60 Au2 N6 S16 -","- C36 H60 Au2 N6 S16 -","- C36 H60 Au2 N6 S16 -","1","0.25","","Nadine Tenn; Nathalie Bellec; Olivier Jeannin; Lidia Piekara-Sady; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","A Single-Component Molecular Metal Based on a Thiazole Dithiolate Gold Complex","Journal of the American Chemical Society","2009","131","","16961","16967","10.1021/ja907426s","","","0.71073","MoKα","","0.0714","0.0383","","","0.072","0.0813","","","","","","1.072","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105374","14.06","0.002","4.0593","0.0006","14.259","0.002","90","","93.524","0.005","90","","812.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","AuEtthiazdt2neutral","","","- C10 H10 Au N2 S8 -","- C10 H10 Au N2 S8 -","- C20 H20 Au2 N4 S16 -","2","0.5","","Nadine Tenn; Nathalie Bellec; Olivier Jeannin; Lidia Piekara-Sady; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","A Single-Component Molecular Metal Based on a Thiazole Dithiolate Gold Complex","Journal of the American Chemical Society","2009","131","","16961","16967","10.1021/ja907426s","","","0.71073","MoKα","","0.0421","0.0322","","","0.0664","0.0702","","","","","","1.061","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105375","13.4659","0.0012","11.5349","0.0011","14.053","0.0013","90","","109.123","0.001","90","","2062.4","0.3","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H21 As2 F6 O6 P S2 -","- C9 H21 As2 F6 O6 P S2 -","- C36 H84 As8 F24 O24 P4 S8 -","4","1","","Eamonn Conrad; Neil Burford; Robert McDonald; Michael J. Ferguson","Phosphinopnictonium Cations: High Yield and General Preparative Procedures for New Interpnictogen Frameworks Exploiting As→P and Sb→P Coordinate Bonds","Journal of the American Chemical Society","2009","131","","17000","17008","10.1021/ja907613c","","","0.71073","MoKα","","0.0368","0.0283","","","0.0707","0.0748","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105376","11.7585","0.0008","12.8289","0.0009","12.9423","0.0009","90","","96.48","0.001","90","","1939.9","0.2","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 As F3 O3 P S -","- C16 H19 As F3 O3 P S -","- C64 H76 As4 F12 O12 P4 S4 -","4","1","","Eamonn Conrad; Neil Burford; Robert McDonald; Michael J. Ferguson","Phosphinopnictonium Cations: High Yield and General Preparative Procedures for New Interpnictogen Frameworks Exploiting As→P and Sb→P Coordinate Bonds","Journal of the American Chemical Society","2009","131","","17000","17008","10.1021/ja907613c","","","0.71073","MoKα","","0.0428","0.0335","","","0.0838","0.0889","","","","","","1.044","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105377","28.143","0.004","15.696","0.002","11.3857","0.0015","90","","97.8153","0.0017","90","","4982.7","1.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Al2 As2 Cl8 P2 -","- C18 H28 Al2 As2 Cl8 P2 -","- C108 H168 Al12 As12 Cl48 P12 -","6","1.5","","Eamonn Conrad; Neil Burford; Robert McDonald; Michael J. Ferguson","Phosphinopnictonium Cations: High Yield and General Preparative Procedures for New Interpnictogen Frameworks Exploiting As→P and Sb→P Coordinate Bonds","Journal of the American Chemical Society","2009","131","","17000","17008","10.1021/ja907613c","","","0.71073","MoKα","","0.0586","0.0425","","","0.1026","0.1104","","","","","","1.047","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105378","20.132","0.003","14.311","0.0018","15.4865","0.0019","90","","101.167","0.0018","90","","4377.3","1","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 Al2 As2 Cl8 P -","- C37 H33 Al2 As2 Cl8 P -","- C148 H132 Al8 As8 Cl32 P4 -","4","1","","Eamonn Conrad; Neil Burford; Robert McDonald; Michael J. Ferguson","Phosphinopnictonium Cations: High Yield and General Preparative Procedures for New Interpnictogen Frameworks Exploiting As→P and Sb→P Coordinate Bonds","Journal of the American Chemical Society","2009","131","","17000","17008","10.1021/ja907613c","","","0.71073","MoKα","","0.0505","0.0376","","","0.0898","0.0978","","","","","","1.049","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105379","11.327","0.003","11.345","0.003","20.433","0.006","90.271","0.004","98.929","0.004","90.595","0.004","2593.7","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H40 Al2 As2 Cl8 P2 -","- C48 H40 Al2 As2 Cl8 P2 -","- C96 H80 Al4 As4 Cl16 P4 -","2","1","","Eamonn Conrad; Neil Burford; Robert McDonald; Michael J. Ferguson","Phosphinopnictonium Cations: High Yield and General Preparative Procedures for New Interpnictogen Frameworks Exploiting As→P and Sb→P Coordinate Bonds","Journal of the American Chemical Society","2009","131","","17000","17008","10.1021/ja907613c","","","0.71073","MoKα","","0.1012","0.0813","","","0.2232","0.2448","","","","","","1.066","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105380","10.142","0.002","11.858","0.003","22.81","0.005","81.329","0.003","79.316","0.003","85.433","0.003","2661.1","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H46 Al2 Cl10 P2 Sb2 -","- C43 H46 Al2 Cl10 P2 Sb2 -","- C86 H92 Al4 Cl20 P4 Sb4 -","2","1","","Eamonn Conrad; Neil Burford; Robert McDonald; Michael J. Ferguson","Phosphinopnictonium Cations: High Yield and General Preparative Procedures for New Interpnictogen Frameworks Exploiting As→P and Sb→P Coordinate Bonds","Journal of the American Chemical Society","2009","131","","17000","17008","10.1021/ja907613c","","","0.71073","MoKα","","0.1088","0.0861","","","0.1988","0.2094","","","","","","1.208","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105381","11.5699","0.0005","10.866","0.0005","21.0827","0.0009","90","","101.329","0.001","90","","2598.8","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 Al2 Cl8 P2 Sb2 -","- C48 H40 Al2 Cl8 P2 Sb2 -","- C96 H80 Al4 Cl16 P4 Sb4 -","2","0.5","","Eamonn Conrad; Neil Burford; Robert McDonald; Michael J. Ferguson","Phosphinopnictonium Cations: High Yield and General Preparative Procedures for New Interpnictogen Frameworks Exploiting As→P and Sb→P Coordinate Bonds","Journal of the American Chemical Society","2009","131","","17000","17008","10.1021/ja907613c","","","0.71073","MoKα","","0.026","0.0232","","","0.0596","0.062","","","","","","1.044","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105382","17.312","0.003","12.0841","0.0018","13.904","0.002","90","","111.917","0.002","90","","2698.5","0.7","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'Potassium uranyl peroxide oxalate hydrate","","- C8 K6 O26 U2 -","- C8 K6 O26 U2 -","- C32 K24 O104 U8 -","4","1","","Ginger E. Sigmon; Jie Ling; Daniel K. Unruh; Laura Moore-Shay; Matthew Ward; Brittany Weaver; Peter C. Burns","Uranyl-Peroxide Interactions Favor Nanocluster Self-Assembly","Journal of the American Chemical Society","2009","131","","16648","16649","10.1021/ja907837u","","","0.71073","MoKα","","0.0613","0.0366","","","0.0722","0.0818","","","","","","0.999","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105383","18.625","0.003","26.652","0.004","15.66","0.002","90","","90","","90","","7774","2","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sodium uranyl peroxide oxalate hydrate","","- C12 Na12 O77 U6 -","- C12 Na12 O77 U6 -","- C48 Na48 O308 U24 -","4","0.5","","Ginger E. Sigmon; Jie Ling; Daniel K. Unruh; Laura Moore-Shay; Matthew Ward; Brittany Weaver; Peter C. Burns","Uranyl-Peroxide Interactions Favor Nanocluster Self-Assembly","Journal of the American Chemical Society","2009","131","","16648","16649","10.1021/ja907837u","","","0.71073","MoKα","","0.0912","0.0643","","","0.1678","0.1864","","","","","","1.052","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105384","10.2949","0.0007","19.5235","0.0014","27.0032","0.0019","90","","90","","90","","5427.4","0.7","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Potassium uranyl peroxide oxalate hydrate","","- C10 K10 O53 U5 -","- C10 K10 O53 U5 -","- C40 K40 O212 U20 -","4","0.5","","Ginger E. Sigmon; Jie Ling; Daniel K. Unruh; Laura Moore-Shay; Matthew Ward; Brittany Weaver; Peter C. Burns","Uranyl-Peroxide Interactions Favor Nanocluster Self-Assembly","Journal of the American Chemical Society","2009","131","","16648","16649","10.1021/ja907837u","","","0.71073","MoKα","","0.0423","0.0287","","","0.0759","0.0787","","","","","","0.95","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105385","34.939","0.013","19.099","0.007","35.944","0.013","90","","113.625","0.008","90","","21975","14","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Sodium tetraproply uranyl peroxide","","- C108 H234 N9 Na11.2 O109 U20 -","- C108 N9 Na11.19 O108 U20 -","- C432 N36 Na44.76 O432 U80 -","4","1","","Ginger E. Sigmon; Jie Ling; Daniel K. Unruh; Laura Moore-Shay; Matthew Ward; Brittany Weaver; Peter C. Burns","Uranyl-Peroxide Interactions Favor Nanocluster Self-Assembly","Journal of the American Chemical Society","2009","131","","16648","16649","10.1021/ja907837u","","","0.71073","MoKα","","0.1299","0.0641","","","0.1427","0.1784","","","","","","1.037","","","","has coordinates","289268","2024-02-02","08:58:43",""
"4105386","8.941","0.003","27.929","0.009","16.334","0.005","90","","105.848","0.008","90","","3924","2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C74 H74 Cl8 N10 Ni2 O8 S2 -","- C74 H74 Cl8 N10 Ni2 O8 S2 -","- C148 H148 Cl16 N20 Ni4 O16 S4 -","2","1","","Xiang Liu; James A. Henderson; Takeo Sasaki; Yoshito Kishi","Dramatic Improvement in Catalyst Loadings and Molar Ratios of Coupling Partners for Ni/Cr-Mediated Coupling Reactions: Heterobimetallic Catalysts","Journal of the American Chemical Society","2009","131","","16678","16680","10.1021/ja9079308","","","0.71073","MoKα","","0.1567","0.0793","","","0.1646","0.1854","","","","","","1.018","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105387","12.0047","0.0004","12.0319","0.0004","17.332","0.0006","90.282","0.002","94.171","0.004","101.03","0.002","2450.22","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H74 Li4 N6 Ti2 -","- C49 H74 Li4 N6 Ti2 -","- C98 H148 Li8 N12 Ti4 -","2","1","","Swagat K. Mohapatra; Susanne Büschel; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Selective Lithiation and Phosphane-Functionalization of [(η7-C7H7)Ti(η5-C5H5)] (Troticene) and Its Use for the Preparation of Early-Late Heterobimetallic Complexes","Journal of the American Chemical Society","2009","131","","17014","17023","10.1021/ja9080056","","","0.71073","MoKα","","0.0745","0.0331","","","0.0506","0.0537","","","","","","0.764","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105388","20.9957","0.0004","7.9976","0.0002","12.6211","0.0002","90","","90","","90","","2119.27","0.07","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H34 Li N3 Ti -","- C21 H34 Li N3 Ti -","- C84 H136 Li4 N12 Ti4 -","4","1","","Swagat K. Mohapatra; Susanne Büschel; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Selective Lithiation and Phosphane-Functionalization of [(η7-C7H7)Ti(η5-C5H5)] (Troticene) and Its Use for the Preparation of Early-Late Heterobimetallic Complexes","Journal of the American Chemical Society","2009","131","","17014","17023","10.1021/ja9080056","","","1.54184","CuKα","","0.0282","0.0272","","","0.0725","0.0731","","","","","","1.092","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105389","31.9896","0.0004","10.02607","0.0001","17.1398","0.0002","90","","107.582","0.0012","90","","5240.45","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H21 Mo O5 P Ti -","- C29 H21 Mo O5 P Ti -","- C232 H168 Mo8 O40 P8 Ti8 -","8","1","","Swagat K. Mohapatra; Susanne Büschel; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Selective Lithiation and Phosphane-Functionalization of [(η7-C7H7)Ti(η5-C5H5)] (Troticene) and Its Use for the Preparation of Early-Late Heterobimetallic Complexes","Journal of the American Chemical Society","2009","131","","17014","17023","10.1021/ja9080056","","","0.71073","MoKα","","0.0334","0.0208","","","0.0419","0.0429","","","","","","0.879","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105390","10.2073","0.0002","13.3413","0.0002","18.5216","0.0004","90","","91.036","0.002","90","","2521.83","0.08","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H29 Au Cl O P Ti -","- C28 H29 Au Cl O P Ti -","- C112 H116 Au4 Cl4 O4 P4 Ti4 -","4","2","","Swagat K. Mohapatra; Susanne Büschel; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Selective Lithiation and Phosphane-Functionalization of [(η7-C7H7)Ti(η5-C5H5)] (Troticene) and Its Use for the Preparation of Early-Late Heterobimetallic Complexes","Journal of the American Chemical Society","2009","131","","17014","17023","10.1021/ja9080056","","","1.54184","CuKα","","0.0669","0.0606","","","0.1445","0.1495","","","","","","1.033","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105391","25.8727","0.001","8.2464","0.0002","20.6849","0.0008","90","","118.242","0.004","90","","3887.9","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H42 Au Cl P2 Ti2 -","- C48 H42 Au Cl P2 Ti2 -","- C192 H168 Au4 Cl4 P8 Ti8 -","4","0.5","","Swagat K. Mohapatra; Susanne Büschel; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Selective Lithiation and Phosphane-Functionalization of [(η7-C7H7)Ti(η5-C5H5)] (Troticene) and Its Use for the Preparation of Early-Late Heterobimetallic Complexes","Journal of the American Chemical Society","2009","131","","17014","17023","10.1021/ja9080056","","","0.71073","MoKα","","0.0362","0.0261","","","0.0524","0.0531","","","","","","0.927","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105392","10.38647","0.00014","13.1253","0.0002","22.924","0.0003","90","","90","","90","","3125.13","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H30 Cl2 P2 Pt Ti -","- C36 H30 Cl2 P2 Pt Ti -","- C144 H120 Cl8 P8 Pt4 Ti4 -","4","1","","Swagat K. Mohapatra; Susanne Büschel; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Selective Lithiation and Phosphane-Functionalization of [(η7-C7H7)Ti(η5-C5H5)] (Troticene) and Its Use for the Preparation of Early-Late Heterobimetallic Complexes","Journal of the American Chemical Society","2009","131","","17014","17023","10.1021/ja9080056","","","0.71073","MoKα","","0.0426","0.0299","","","0.0331","0.0337","","","","","","0.887","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105393","11.4048","0.0003","15.3408","0.0004","14.5731","0.0005","90","","98.262","0.003","90","","2523.23","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H48 Cl8 P2 Pt Ti2 -","- C51 H48 Cl8 P2 Pt Ti2 -","- C102 H96 Cl16 P4 Pt2 Ti4 -","2","0.5","","Swagat K. Mohapatra; Susanne Büschel; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Selective Lithiation and Phosphane-Functionalization of [(η7-C7H7)Ti(η5-C5H5)] (Troticene) and Its Use for the Preparation of Early-Late Heterobimetallic Complexes","Journal of the American Chemical Society","2009","131","","17014","17023","10.1021/ja9080056","","","0.71073","MoKα","","0.063","0.0303","","","0.0524","0.0547","","","","","","0.817","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105394","10.0746","0.0006","10.5051","0.001","12.4587","0.0008","114.28","0.008","92.36","0.006","103.396","0.006","1155.31","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H46 Cl6 P2 Pt Ti2 -","- C50 H46 Cl6 P2 Pt Ti2 -","- C50 H46 Cl6 P2 Pt Ti2 -","1","0.5","","Swagat K. Mohapatra; Susanne Büschel; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Selective Lithiation and Phosphane-Functionalization of [(η7-C7H7)Ti(η5-C5H5)] (Troticene) and Its Use for the Preparation of Early-Late Heterobimetallic Complexes","Journal of the American Chemical Society","2009","131","","17014","17023","10.1021/ja9080056","","","0.71073","MoKα","","0.0289","0.0242","","","0.0389","0.0394","","","","","","0.879","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105395","6.598","0.0013","10.743","0.002","26.511","0.005","90","","90","","90","","1879.2","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br O5 -","- C20 H21 Br O5 -","- C80 H84 Br4 O20 -","4","1","","Pingfan Li; Hisashi Yamamoto","Lewis Acid Catalyzed Inverse-Electron-Demand Diels-Alder Reaction of Tropones","Journal of the American Chemical Society","2009","131","","16628","16629","10.1021/ja908127f","","","0.71073","MoKα","","0.0433","0.0361","","","0.0691","0.0705","","","","","","0.908","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105396","6.296","0.0013","6.743","0.0014","9.347","0.002","95.088","0.003","93.518","0.003","91.218","0.004","394.37","0.14","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C9 H7 Br O2 -","- C9 H7 Br O2 -","- C18 H14 Br2 O4 -","2","2","","Pingfan Li; Hisashi Yamamoto","Lewis Acid Catalyzed Inverse-Electron-Demand Diels-Alder Reaction of Tropones","Journal of the American Chemical Society","2009","131","","16628","16629","10.1021/ja908127f","","","0.71073","MoKα","","0.0421","0.0366","","","0.0857","0.0874","","","","","","1.016","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105397","7.1229","0.0004","7.75","0.0004","11.403","0.0007","90","","90","","90","","629.47","0.06","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-{(μ2-Chloro)-(μ2-dioxane-O,O')-lithium(i)}","","- C4 H8 Cl Li O2 -","- C4 H8 Cl Li O2 -","- C16 H32 Cl4 Li4 O8 -","4","1","","Liqun Jin; Chao Liu; Jing Liu; Fang Hu; Yu Lan; Andrei S. Batsanov; Judith A. K. Howard; Todd B. Marder; Aiwen Lei","Revelation of the Difference between Arylzinc Reagents Prepared from Aryl Grignard and Aryllithium Reagents Respectively: Kinetic and Structural Features","Journal of the American Chemical Society","2009","131","","16656","16657","10.1021/ja908198d","","","0.71073","MoKα","","0.0211","0.0201","","","0.0518","0.0523","","","","","","1.06","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105398","14.863","0.002","10.4843","0.0017","16.936","0.003","90","","100.13","0.03","90","","2598","0.8","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21.42 H36.51 Br0.65 Cl2.44 Mg O4 Zn -","- C21.364 H36.47 Br0.664 Cl2.442 Mg O4 Zn -","- C85.456 H145.88 Br2.656 Cl9.768 Mg4 O16 Zn4 -","4","1","","Liqun Jin; Chao Liu; Jing Liu; Fang Hu; Yu Lan; Andrei S. Batsanov; Judith A. K. Howard; Todd B. Marder; Aiwen Lei","Revelation of the Difference between Arylzinc Reagents Prepared from Aryl Grignard and Aryllithium Reagents Respectively: Kinetic and Structural Features","Journal of the American Chemical Society","2009","131","","16656","16657","10.1021/ja908198d","","","0.71073","MoKα","","0.1915","0.0754","","","0.1502","0.1921","","","","","","1.003","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105399","10.5223","0.0008","13.2057","0.001","19.7516","0.0015","103.955","0.001","101.557","0.001","100.116","0.001","2536.1","0.3","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H33 Cl2 F6 N7 O Zn -","- C56 H33 Cl2 F6 N7 O Zn -","- C112 H66 Cl4 F12 N14 O2 Zn2 -","2","1","","Timothy C. Berto; V. K. K. Praneeth; Lauren E. Goodrich; Nicolai Lehnert","Iron-Porphyrin NO Complexes with Covalently Attached N-Donor Ligands: Formation of a Stable Six-Coordinate Species in Solution","Journal of the American Chemical Society","2009","131","","17116","17126","10.1021/ja904368n","","","0.71073","MoKα","","0.0778","0.057","","","0.163","0.177","","","","","","1.075","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105400","18.935","0.004","7.047","0.0014","13.304","0.003","90","","123.92","0.03","90","","1473.1","0.7","20","0.1","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H25 O2.5 -","- C18 H25 O2.5 -","- C72 H100 O10 -","4","1","","Elizabeth A. Zhurova; Vladimir V. Zhurov; Deepak Chopra; Adam I. Stash; A. Alan Pinkerton","17α-Estradiol.1/2 H2O: Super-Structural Ordering, Electronic Properties, Chemical Bonding, and Biological Activity in Comparison with Other Estrogens","Journal of the American Chemical Society","2009","131","","17260","17269","10.1021/ja906057z","","","0.71073","MoKα","","","0.0174","","","","0.01","","","","","","1.0302","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105401","8.7557","0.0004","11.6162","0.0005","23.5245","0.0011","85.6293","0.0016","80.2264","0.0018","88.77","0.002","2350.96","0.18","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H78 O4 Si2 -","- C46 H78 O4 Si2 -","- C92 H156 O8 Si4 -","2","1","","Tanmoy Dutta; Kathy B. Woody; Sean R. Parkin; Mark D. Watson; Johannes Gierschner","Conjugated Polymers with Large Effective Stokes Shift: Benzobisdioxole-Based Poly(phenylene ethynylene)s","Journal of the American Chemical Society","2009","131","","17321","17327","10.1021/ja9068134","","","0.71073","MoKα","","0.1369","0.1028","","","0.2535","0.2766","","","","","","1.092","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105402","12.9491","0.0005","21.29","0.0006","11.6829","0.0005","90","","90","","90","","3220.8","0.2","100","2","100","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C18 H12 Cd N2 O4 -","- C18 H12 Cd N2 O4 -","- C72 H48 Cd4 N8 O16 -","4","0.5","","JianJun Zhang; Lukasz Wojtas; Randy W. Larsen; Mohamed Eddaoudi; Michael J. Zaworotko","Temperature and Concentration Control over Interpenetration in a Metal-Organic Material","Journal of the American Chemical Society","2009","131","","17040","17041","10.1021/ja906911q","","","1.54178","CuKα","","0.057","0.0428","","","0.1033","0.1081","","","","","","1.019","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105403","13.0941","0.0019","14.506","0.002","19.684","0.003","95.217","0.002","90.019","0.002","95.349","0.002","3707","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.38 H32.75 Cl4.75 N2 O8 Pd2 -","- C32.375 H32.75 Cl4.75 N2 O8 Pd2 -","- C129.5 H131 Cl19 N8 O32 Pd8 -","4","2","","David C. Powers; Matthias A. L. Geibel; Johannes E. M. N. Klein; Tobias Ritter","Bimetallic Palladium Catalysis: Direct Observation of Pd(III)-Pd(III) Intermediates","Journal of the American Chemical Society","2009","131","","17050","17051","10.1021/ja906935c","","","0.71073","MoKα","","0.0608","0.0433","","","0.0916","0.1012","","","","","","1.047","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105404","9.5836","0.0008","12.2635","0.0008","18.164","0.002","90","0.004","90","0.004","90","0.003","2134.8","0.3","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Kazuyuki Matsumura; Tadashi Mori; Yoshihisa Inoue","Wavelength Control of Diastereodifferentiating Paternó-Büchi Reaction of Chiral Cyanobenzoates with Diphenylethene through Direct versus Charge-Transfer Excitation","Journal of the American Chemical Society","2009","131","","17076","17077","10.1021/ja907156j","","","0.7107","MoKα","","","0.085","","","","0.082","","","","","","1.386","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105405","16.083","0.003","18.405","0.004","20.111","0.004","102.564","0.01","99.4","0.01","91.116","0.011","5723","2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- Ce2.5 H12 K N0.5 O82 Ru4 Si2 W20 -","- Ce3 O123.5 Ru4 Si2 W20 -","- Ce6 O247 Ru8 Si4 W40 -","2","1","","Yurii V. Geletii; Claire Besson; Yu Hou; Qiushi Yin; Djamaladdin G. Musaev; David Quiñonero; Rui Cao; Kenneth I. Hardcastle; Anna Proust; Paul Kögerler; Craig L. Hill","Structural, Physicochemical, and Reactivity Properties of an All-Inorganic, Highly Active Tetraruthenium Homogeneous Catalyst for Water Oxidation","Journal of the American Chemical Society","2009","131","","17360","17370","10.1021/ja907277b","","","0.71073","MoKα","","0.0634","0.0541","","","0.1867","0.1961","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105406","14.7305","0.0008","19.6144","0.0009","20.8418","0.001","100.745","0.003","99.569","0.003","94.958","0.003","5790.9","0.5","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C16 H78 Cl4 K2 N8 O82 Ru4 Si2 W20 -","- C2 Cl4 K2 N O82 Ru4 Si2 W20 -","- C4 Cl8 K4 N2 O164 Ru8 Si4 W40 -","2","1","","Yurii V. Geletii; Claire Besson; Yu Hou; Qiushi Yin; Djamaladdin G. Musaev; David Quiñonero; Rui Cao; Kenneth I. Hardcastle; Anna Proust; Paul Kögerler; Craig L. Hill","Structural, Physicochemical, and Reactivity Properties of an All-Inorganic, Highly Active Tetraruthenium Homogeneous Catalyst for Water Oxidation","Journal of the American Chemical Society","2009","131","","17360","17370","10.1021/ja907277b","","","0.71073","MoKα","","0.1799","0.0897","","","0.2436","0.3063","","","","","","1.015","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105407","8.631","0.0003","11.245","0.0003","12.1742","0.0004","99.8602","0.0003","104.289","0.0003","99.05","0.0003","1103.19","0.06","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H74 Si4 U2 -","- C40 H74 Si4 U2 -","- C40 H74 Si4 U2 -","1","0.5","","William J. Evans; Christopher A. Traina; Joseph W. Ziller","Synthesis of Heteroleptic Uranium (μ-η6:η6-C6H6)2- Sandwich Complexes via Facile Displacement of (η5-C5Me5)1- by Ligands of Lower Hapticity and Their Conversion to Heteroleptic Bis(imido) Compounds","Journal of the American Chemical Society","2009","131","","17473","17481","10.1021/ja9075259","","","0.71073","MoKα","","0.0138","0.0132","","","0.0327","0.0329","","","","","","1.045","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105408","11.0169","0.0017","17.007","0.003","13.543","0.002","90","","90.3839","0.0019","90","","2537.4","0.7","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H82 O2 U2 -","- C56 H82 O2 U2 -","- C112 H164 O4 U4 -","2","0.5","","William J. Evans; Christopher A. Traina; Joseph W. Ziller","Synthesis of Heteroleptic Uranium (μ-η6:η6-C6H6)2- Sandwich Complexes via Facile Displacement of (η5-C5Me5)1- by Ligands of Lower Hapticity and Their Conversion to Heteroleptic Bis(imido) Compounds","Journal of the American Chemical Society","2009","131","","17473","17481","10.1021/ja9075259","","","0.71073","MoKα","","0.0649","0.0552","","","0.1362","0.145","","","","","","1.22","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105409","9.938","0.0007","10.8469","0.0008","20.2681","0.0019","92.82","0.001","91.435","0.001","116.534","0.001","1949.6","0.3","148","2","148","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H69 N4 U -","- C41 H69 N4 U -","- C82 H138 N8 U2 -","2","1","","William J. Evans; Christopher A. Traina; Joseph W. Ziller","Synthesis of Heteroleptic Uranium (μ-η6:η6-C6H6)2- Sandwich Complexes via Facile Displacement of (η5-C5Me5)1- by Ligands of Lower Hapticity and Their Conversion to Heteroleptic Bis(imido) Compounds","Journal of the American Chemical Society","2009","131","","17473","17481","10.1021/ja9075259","","","0.71073","MoKα","","0.0169","0.0159","","","0.0389","0.0393","","","","","","1.044","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105410","9.9011","0.0006","13.3585","0.0008","15.3247","0.0009","84.6455","0.0007","80.706","0.0007","80.4456","0.0007","1967.9","0.2","88","2","88","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H59 N2 U -","- C40 H59 N2 U -","- C80 H118 N4 U2 -","2","1","","William J. Evans; Christopher A. Traina; Joseph W. Ziller","Synthesis of Heteroleptic Uranium (μ-η6:η6-C6H6)2- Sandwich Complexes via Facile Displacement of (η5-C5Me5)1- by Ligands of Lower Hapticity and Their Conversion to Heteroleptic Bis(imido) Compounds","Journal of the American Chemical Society","2009","131","","17473","17481","10.1021/ja9075259","","","0.71073","MoKα","","0.0273","0.0261","","","0.076","0.0767","","","","","","1.125","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105411","13.5148","0.0007","18.2529","0.0009","19.2967","0.001","90","","90.0839","0.0007","90","","4760.2","0.4","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H79 N5 Si2 U -","- C47 H79 N5 Si2 U -","- C188 H316 N20 Si8 U4 -","4","1","","William J. Evans; Christopher A. Traina; Joseph W. Ziller","Synthesis of Heteroleptic Uranium (μ-η6:η6-C6H6)2- Sandwich Complexes via Facile Displacement of (η5-C5Me5)1- by Ligands of Lower Hapticity and Their Conversion to Heteroleptic Bis(imido) Compounds","Journal of the American Chemical Society","2009","131","","17473","17481","10.1021/ja9075259","","","0.71073","MoKα","","0.0637","0.0452","","","0.1052","0.1128","","","","","","1.042","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105412","4.1182","0.0008","14.193","0.003","29.071","0.006","90","","90","","90","","1699.2","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Br O3 -","- C21 H15 Br O3 -","- C84 H60 Br4 O12 -","4","1","","Xingwei Guo; Rong Yu; Haijun Li; Zhiping Li","Iron-Catalyzed Tandem Oxidative Coupling and Annulation: An Efficient Approach to Construct Polysubstituted Benzofurans","Journal of the American Chemical Society","2009","131","","17387","17393","10.1021/ja907568j","","","0.71073","MoKα","","0.1377","0.0375","","","0.0473","0.0581","","","","","","0.657","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105413","9.562","0.005","10.587","0.004","15.491","0.007","96.133","0.006","107.6","0.005","90.475","0.009","1484.9","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H54 Li2 N4 Si2 -","- C22 H54 Li2 N4 Si2 -","- C44 H108 Li4 N8 Si4 -","2","1","","Christian Unkelbach; Carsten Strohmann","Low-Temperature Addition of Organolithiums to Functionalized Vinylsilanes under Formation of Secondary α-Lithiated Alkylsilanes","Journal of the American Chemical Society","2009","131","","17044","17045","10.1021/ja9076167","","","0.71073","MoKα","","0.0776","0.0633","","","0.132","0.1404","","","","","","1.011","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105414","8.803","0.005","9.319","0.004","12.224","0.004","82.89","0.04","86.29","0.05","71.87","0.06","945.3","0.8","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H34 Li N3 Si -","- C14 H34 Li N3 Si -","- C28 H68 Li2 N6 Si2 -","2","1","","Christian Unkelbach; Carsten Strohmann","Low-Temperature Addition of Organolithiums to Functionalized Vinylsilanes under Formation of Secondary α-Lithiated Alkylsilanes","Journal of the American Chemical Society","2009","131","","17044","17045","10.1021/ja9076167","","","0.71073","MoKα","","0.0808","0.0639","","","0.1867","0.1983","","","","","","1.089","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105415","5.1754","0.0004","10.9294","0.0008","10.9423","0.0008","118.826","0.004","91.381","0.005","99.872","0.004","530.11","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF22 4-pyridyl-CONH-(CH2)6)-NHCO-(4-pyridyl), succinic acid CHUNKS","","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","1","0.5","","Christer B. Aakeröy; Safiyyah Forbes; John Desper","Using Cocrystals To Systematically Modulate Aqueous Solubility and Melting Behavior of an Anticancer Drug","Journal of the American Chemical Society","2009","131","","17048","17049","10.1021/ja907674c","","","0.71073","MoKα","","0.0993","0.0605","","","0.1509","0.1761","","","","","","1.063","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105416","5.1412","0.0004","5.2394","0.0004","21.3961","0.0017","95.094","0.005","95.603","0.004","91.076","0.005","571.1","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF 2 4-pyridyl-CONH-(CH2)6-NHCO-4-pyridyl, HOOC-(CH2)4-COOH","","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","1","0.5","","Christer B. Aakeröy; Safiyyah Forbes; John Desper","Using Cocrystals To Systematically Modulate Aqueous Solubility and Melting Behavior of an Anticancer Drug","Journal of the American Chemical Society","2009","131","","17048","17049","10.1021/ja907674c","","","0.71073","MoKα","","0.0691","0.047","","","0.1167","0.1293","","","","","","1.095","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105417","5.1392","0.0005","5.2412","0.0005","23.145","0.002","94.05","0.003","95.222","0.002","91.277","0.002","619.03","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF21 N,N'-(isonicotinyl)hexanediamine, octanedioic acid","","- C26 H36 N4 O6 -","- C26 H36 N4 O6 -","- C26 H36 N4 O6 -","1","0.5","","Christer B. Aakeröy; Safiyyah Forbes; John Desper","Using Cocrystals To Systematically Modulate Aqueous Solubility and Melting Behavior of an Anticancer Drug","Journal of the American Chemical Society","2009","131","","17048","17049","10.1021/ja907674c","","","0.71073","MoKα","","0.0424","0.0372","","","0.1086","0.1137","","","","","","1.09","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105418","5.1506","0.0004","5.2481","0.0004","24.5206","0.0016","89.647","0.004","87.252","0.004","88.505","0.005","661.82","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF3 (4-pyridyl)-CONH-(CH2)6-NHCO-(4-pyridyl), HOOC-(CH2)8-COOH","","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","1","0.5","","Christer B. Aakeröy; Safiyyah Forbes; John Desper","Using Cocrystals To Systematically Modulate Aqueous Solubility and Melting Behavior of an Anticancer Drug","Journal of the American Chemical Society","2009","131","","17048","17049","10.1021/ja907674c","","","0.71073","MoKα","","0.0827","0.0493","","","0.1271","0.142","","","","","","1.057","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105419","5.1519","0.0004","5.2778","0.0005","26.148","0.003","86.023","0.006","89.386","0.006","88.496","0.006","709","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF5 (4-pyridyl)-CONH-(CH2)6-NHCO-(4-pyridyl), HOOC-(CH2)10-COOH","","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","1","0.5","","Christer B. Aakeröy; Safiyyah Forbes; John Desper","Using Cocrystals To Systematically Modulate Aqueous Solubility and Melting Behavior of an Anticancer Drug","Journal of the American Chemical Society","2009","131","","17048","17049","10.1021/ja907674c","","","0.71073","MoKα","","0.1159","0.065","","","0.1632","0.1937","","","","","","1.042","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105420","6.1709","0.0006","6.1709","0.0006","11.77","0.002","90","","90","","120","","388.15","0.08","173","2","173","2","","","","","","","","4","P 63 c m","P 6c -2","185","","","","- In0.37 Mn0.63 O3 Y -","- In0.37 Mn0.63 O3 Y -","- In2.22 Mn3.78 O18 Y6 -","6","0.5","","Andrew E. Smith; Hiroshi Mizoguchi; Kris Delaney; Nicola A. Spaldin; Arthur W. Sleight; M. A. Subramanian","Mn3+ in Trigonal Bipyramidal Coordination: A New Blue Chromophore","Journal of the American Chemical Society","2009","131","","17084","17086","10.1021/ja9080666","","","0.71073","MoKα","","0.028","0.0211","","","0.0389","0.0421","","","","","","1.149","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105421","10.073","0.001","14.0253","0.0012","26.088","0.003","90","","95.919","0.007","90","","3666","0.6","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 O3 -","- C20 H36 O3 -","- C160 H288 O24 -","8","2","","Thomas J. Maimone; Jun Shi; Shinji Ashida; Phil S. Baran","Total Synthesis of Vinigrol","Journal of the American Chemical Society","2009","131","","17066","17067","10.1021/ja908194b","","","","","","","","","","","","","","","","","","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105422","7.882","0.0012","13.881","0.002","31.693","0.005","90","","90","","90","","3467.5","0.9","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H26 Br N O2 -","- C19 H26 Br N O2 -","- C152 H208 Br8 N8 O16 -","8","1","","Thomas J. Maimone; Jun Shi; Shinji Ashida; Phil S. Baran","Total Synthesis of Vinigrol","Journal of the American Chemical Society","2009","131","","17066","17067","10.1021/ja908194b","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105423","8.73624","0.00016","11.8091","0.0002","12.2419","0.0002","90","","90","","90","","1262.96","0.04","98.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O3 S -","- C13 H15 N O3 S -","- C52 H60 N4 O12 S4 -","4","1","","Tatsuhiko Yoshino; Hiroyuki Morimoto; Gang Lu; Shigeki Matsunaga; Masakatsu Shibasaki","Construction of Contiguous Tetrasubstituted Chiral Carbon Stereocenters via Direct Catalytic Asymmetric Aldol Reaction of α-Isothiocyanato Esters with Ketones","Journal of the American Chemical Society","2009","131","","17082","17083","10.1021/ja908571w","","","1.54187","CuKα","","","0.0384","","","","0.1118","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105424","12.3808","0.0004","12.3808","0.0004","32.558","0.002","90","","90","","90","","4990.6","0.4","150","2","150","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C40 H46 Ag2 F6 N10 O8 S2 -","- C38 H46 Ag2 N10 O2 -","- C152 H184 Ag8 N40 O8 -","4","0.5","","Lei-lei Tian; Chun Wang; Sandipan Dawn; Mark D. Smith; Jeanette A. Krause; Linda S. Shimizu","Macrocycles with Switchable exo/endo Metal Binding Sites","Journal of the American Chemical Society","2009","131","","17620","17629","10.1021/ja906474z","","","0.71073","MoKα","","0.0648","0.0513","","","0.1182","0.1241","","","","","","0.988","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105425","8.4446","0.0005","10.3582","0.0006","13.2736","0.0008","90","","105.44","0.001","90","","1119.15","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N8 O2 -","- C26 H24 N8 O2 -","- C52 H48 N16 O4 -","2","0.5","","Lei-lei Tian; Chun Wang; Sandipan Dawn; Mark D. Smith; Jeanette A. Krause; Linda S. Shimizu","Macrocycles with Switchable exo/endo Metal Binding Sites","Journal of the American Chemical Society","2009","131","","17620","17629","10.1021/ja906474z","","","0.71073","MoKα","","0.04","0.0342","","","0.0896","0.093","","","","","","1.057","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105426","11.8857","0.0005","15.0339","0.0007","13.5999","0.0006","90","","101.561","0.001","90","","2380.84","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54.6 Cl7.4 N10 O2.3 -","- C42 H53.4 Cl7.4 N10 O2.3 -","- C84 H106.8 Cl14.8 N20 O4.6 -","2","0.5","","Lei-lei Tian; Chun Wang; Sandipan Dawn; Mark D. Smith; Jeanette A. Krause; Linda S. Shimizu","Macrocycles with Switchable exo/endo Metal Binding Sites","Journal of the American Chemical Society","2009","131","","17620","17629","10.1021/ja906474z","","","0.71073","MoKα","","0.0503","0.0448","","","0.1165","0.1218","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105427","9.443","0.0008","21.3341","0.0018","27.253","0.002","90","","90","","90","","5490.3","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H26 Cd N10 O9 -","- C26 H26 Cd N10 O9 -","- C208 H208 Cd8 N80 O72 -","8","1","","Lei-lei Tian; Chun Wang; Sandipan Dawn; Mark D. Smith; Jeanette A. Krause; Linda S. Shimizu","Macrocycles with Switchable exo/endo Metal Binding Sites","Journal of the American Chemical Society","2009","131","","17620","17629","10.1021/ja906474z","","","0.7749","synchrotron","","0.0645","0.0379","","","0.0906","0.1042","","","","","","1.017","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4105428","13.443","0.002","16.074","0.002","21.5","0.003","100.01","0.002","97.933","0.002","91.626","0.002","4524.7","1.1","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C94 H85 B2 Cl2 Co F30 N O4 U -","- C93 H71 B2 Cl2 Co F30 N O4 U -","- C186 H142 B4 Cl4 Co2 F60 N2 O8 U2 -","2","1","","David D. Schnaars; Guang Wu; Trevor W. Hayton","Reduction of Pentavalent Uranyl to U(IV) Facilitated by Oxo Functionalization","Journal of the American Chemical Society","2009","131","","17532","17533","10.1021/ja906880d","","","0.71073","MoKα","","0.141","0.064","","","0.1553","0.1868","","","","","","0.887","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105429","12.9855","0.0013","22.378","0.002","18.4525","0.0019","90","","90.33","0.002","90","","5362","0.9","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H52 B Co F15 N O -","- C62 H52 B Co F15 N O -","- C248 H208 B4 Co4 F60 N4 O4 -","4","1","","David D. Schnaars; Guang Wu; Trevor W. Hayton","Reduction of Pentavalent Uranyl to U(IV) Facilitated by Oxo Functionalization","Journal of the American Chemical Society","2009","131","","17532","17533","10.1021/ja906880d","","","0.71073","MoKα","","0.1394","0.0915","","","0.1742","0.1929","","","","","","1.136","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105430","23.4675","0.0019","21.2867","0.0016","21.1016","0.0018","90","","104.552","0.003","90","","10203.1","1.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H54 B F15 N2 O2.5 -","- C56 H50 B F15 N2 O2.5 -","- C448 H400 B8 F120 N16 O20 -","8","1","","David D. Schnaars; Guang Wu; Trevor W. Hayton","Reduction of Pentavalent Uranyl to U(IV) Facilitated by Oxo Functionalization","Journal of the American Chemical Society","2009","131","","17532","17533","10.1021/ja906880d","","","0.71073","MoKα","","0.1347","0.0664","","","0.1547","0.1872","","","","","","0.923","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105431","13.618","0.001","25.451","0.002","19.3451","0.0016","90","","98.491","0.002","90","","6631.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>incar</i>(mu~3~nitridotriscandium)-1,3,7,17,28,39,41,45,47,51,54,62,65,70- Tetradecakis(trifluoromethyl)-1,3,7,17,28,39,41,45,47,51,54,62,65,70- tetradecahydro(C~80~-<i>I~h~</i>(7))[5,6])fullerene","","- C98 H5 F42 N Sc3 -","- C98 H5 F42 N Sc3 -","- C392 H20 F168 N4 Sc12 -","4","1","","Natalia B. Shustova; Yu-Sheng Chen; Mary A. Mackey; Curtis E. Coumbe; J. Paige Phillips; Steven Stevenson; Alexey A. Popov; Olga V. Boltalina; Steven H. Strauss","Sc3N@(C80-Ih(7))(CF3)14 and Sc3N@(C80-Ih(7))(CF3)16. Endohedral Metallofullerene Derivatives with Exohedral Addends on Four and Eight Triple-Hexagon Junctions. Does the Sc3N Cluster Control the Addition Pattern or Vice Versa?","Journal of the American Chemical Society","2009","131","","17630","17637","10.1021/ja9069216","","","0.4428","synchrotron","","0.1157","0.0661","","","0.1599","0.1894","","","","","","1.071","","","","has coordinates,has disorder","194623","2020-10-21","18:00:00",""
"4105432","13.8756","0.0006","15.3985","0.0007","16.7884","0.0007","73.911","0.003","88.258","0.003","74.257","0.003","3313.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","incar(mu~3~nitridotriscandium)-2,4,10,16,20,23,25,34,46,53,57,62,65,68,71,74- Hexadecakis(trifluoromethyl)- 2,4,10,16,20,23,25,34,46,53,57,62,65,68,71,74- hexadecahydro(C~80~-<i>I~h~</i>(7))[5,6])fullerene","","- C96 F48 N Sc3 -","- C96 F48 N Sc3 -","- C192 F96 N2 Sc6 -","2","1","","Natalia B. Shustova; Yu-Sheng Chen; Mary A. Mackey; Curtis E. Coumbe; J. Paige Phillips; Steven Stevenson; Alexey A. Popov; Olga V. Boltalina; Steven H. Strauss","Sc3N@(C80-Ih(7))(CF3)14 and Sc3N@(C80-Ih(7))(CF3)16. Endohedral Metallofullerene Derivatives with Exohedral Addends on Four and Eight Triple-Hexagon Junctions. Does the Sc3N Cluster Control the Addition Pattern or Vice Versa?","Journal of the American Chemical Society","2009","131","","17630","17637","10.1021/ja9069216","","","0.7749","synchrotron","","0.0629","0.0437","","","0.1133","0.1253","","","","","","1.01","","","","has coordinates,has disorder","194623","2020-10-21","18:00:00",""
"4105433","9.9261","0.0001","21.6927","0.0003","23.8136","0.0003","87.5427","0.0005","84.6721","0.0005","81.838","0.0005","5051.47","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H51.81 B33 I33 O23.15 -","- C3 H51.816 B33 I33 O23.158 -","- C6 H103.632 B66 I66 O46.316 -","2","1","","Evgenii S. Stoyanov; Irina V. Stoyanova; Fook S. Tham; Christopher A. Reed","Haq+ Structures in Proton Wires inside Nanotubes","Journal of the American Chemical Society","2009","131","","17540","17541","10.1021/ja907708g","","","0.71073","MoKα","","0.0295","0.026","","","0.0588","0.0601","","","","","","1.137","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105434","25.976","0.005","25.976","0.005","25.976","0.005","90","","90","","90","","17527","6","100","2","100","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C91.76 H60 N55.92 O59.2 Zn12 -","- C91.76 H60 N55.92 O59.2 Zn12.0002 -","- C367.04 H240 N223.68 O236.8 Zn48.0008 -","4","0.0416667","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.0925","0.0794","","","0.1881","0.1953","","","","","","1.169","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105435","23.1553","0.0015","23.1553","0.0015","23.1553","0.0015","90","","90","","90","","12415.1","1.4","100","2","100","2","","","","","","","","6","F m -3","-F 2 2 3","202","","","","- C76.2 H16.8 K8 N29.4 O65.08 Zn8 -","- C76.2 H16.8 K8 N29.4 O65.08 Zn8 -","- C304.8 H67.2 K32 N117.6 O260.32 Zn32 -","4","0.0416667","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.0869","0.0795","","","0.2277","0.2351","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105436","40.637","0.005","40.637","0.005","39.063","0.007","90","","90","","120","","55865","14","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C70.4 H50 Cd8 N28 Na8 O90.32 -","- C70.4 H50 Cd8 N28 Na8 O91.92 -","- C633.6 H450 Cd72 N252 Na72 O827.28 -","9","0.25","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.1238","0.0983","","","0.2308","0.2463","","","","","","1.118","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105437","23.7179","0.0019","23.7179","0.0019","23.7179","0.0019","90","","90","","90","","13342.2","1.9","100","2","100","2","","","","","","","","6","F m -3","-F 2 2 3","202","","","","- C60 H24 Cd8 K8 N24 O68.52 -","- C60 H24 Cd8 K8 N24 O68.52 -","- C240 H96 Cd32 K32 N96 O274.08 -","4","0.0416667","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.0964","0.088","","","0.2242","0.2298","","","","","","1.155","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105438","24.593","0.002","24.593","0.002","24.593","0.002","90","","90","","90","","14874","2","100","2","100","2","","","","","","","","6","F m -3","-F 2 2 3","202","","","","- C72 H48 Cd8 Cs8 N28 O60 -","- C71.9999 H47.9998 Cd8 Cs7.9992 N28 O60.0001 -","- C288 H191.999 Cd32 Cs31.9968 N112 O240 -","4","0.0416667","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.0891","0.0794","","","0.2001","0.2091","","","","","","1.072","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105439","26.291","0.006","26.291","0.006","26.291","0.006","90","","90","","90","","18173","7","100","2","100","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C86.24 H60 Mn12 N55.92 O60.16 -","- C86.24 H60 Mn12.0002 N55.92 O60.16 -","- C344.96 H240 Mn48.0008 N223.68 O240.64 -","4","0.0416667","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.0952","0.0841","","","0.232","0.2416","","","","","","1.208","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105440","25.928","0.003","25.928","0.003","25.928","0.003","90","","90","","90","","17430","3","100","2","100","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C91.76 H60 Co12 N55.92 O57 -","- C91.76 H60 Co12.0002 N55.92 O57 -","- C367.04 H240 Co48.0008 N223.68 O228 -","4","0.0416667","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.0815","0.0671","","","0.1849","0.1949","","","","","","1.099","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105441","26.123","0.004","26.123","0.004","26.123","0.004","90","","90","","90","","17827","5","100","2","100","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C75.92 H91.68 In8 N51.96 O70.6 -","- C75.92 H91.68 In8 N51.96 O70.6 -","- C303.68 H366.72 In32 N207.84 O282.4 -","4","0.0416667","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.0781","0.0602","","","0.1789","0.194","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105442","10.9903","0.0002","12.2569","0.0003","10.5191","0.0002","90","","90","","90","","1417","0.05","223","2","223","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C12 H23 N2 P -","- C12 H23 N2 P -","- C48 H92 N8 P4 -","4","0.5","","Kirsten Spannhoff; Nadine Kuhl; Gerald Kehr; Roland Fröhlich; Gerhard Erker","Remarkable Product Diversity in the ""Self-Organized"" Reaction of Deprotonated Acetonitrile with Chlorophosphines","Journal of the American Chemical Society","2009","131","","17836","17842","10.1021/ja905676a","","","1.54178","CuKα","","0.0302","0.0299","","","0.0771","0.0774","","","","","","1.073","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105443","10.8532","0.0001","10.8128","0.0001","11.7494","0.0001","111.657","0.001","98.605","0.001","110.65","0.001","1135.43","0.03","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H44 P2 -","- C24 H44 P2 -","- C48 H88 P4 -","2","1","","Kirsten Spannhoff; Nadine Kuhl; Gerald Kehr; Roland Fröhlich; Gerhard Erker","Remarkable Product Diversity in the ""Self-Organized"" Reaction of Deprotonated Acetonitrile with Chlorophosphines","Journal of the American Chemical Society","2009","131","","17836","17842","10.1021/ja905676a","","","1.54178","CuKα","","0.0452","0.0424","","","0.1145","0.1174","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105444","8.7518","0.0004","15.1375","0.0005","15.6376","0.0007","97.622","0.002","91.057","0.002","97.509","0.002","2034.41","0.15","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H74 N2 P4 -","- C36 H74 N2 P4 -","- C72 H148 N4 P8 -","2","1","","Kirsten Spannhoff; Nadine Kuhl; Gerald Kehr; Roland Fröhlich; Gerhard Erker","Remarkable Product Diversity in the ""Self-Organized"" Reaction of Deprotonated Acetonitrile with Chlorophosphines","Journal of the American Chemical Society","2009","131","","17836","17842","10.1021/ja905676a","","","1.54178","CuKα","","0.0526","0.0513","","","0.1356","0.137","","","","","","1.026","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105445","30.2865","0.0002","30.2865","0.0002","14.7582","0.0002","90","","90","","90","","13537.3","0.2","223","2","223","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C38 H45 N P2 -","- C38 H45 N P2 -","- C608 H720 N16 P32 -","16","1","","Kirsten Spannhoff; Nadine Kuhl; Gerald Kehr; Roland Fröhlich; Gerhard Erker","Remarkable Product Diversity in the ""Self-Organized"" Reaction of Deprotonated Acetonitrile with Chlorophosphines","Journal of the American Chemical Society","2009","131","","17836","17842","10.1021/ja905676a","","","0.71073","MoKα","","0.099","0.0489","","","0.1157","0.1356","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105446","18.0863","0.0005","9.8117","0.0003","21.5144","0.0007","90","","95.016","0.002","90","","3803.3","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H66 N P3 -","- C38 H66 N P3 -","- C152 H264 N4 P12 -","4","1","","Kirsten Spannhoff; Nadine Kuhl; Gerald Kehr; Roland Fröhlich; Gerhard Erker","Remarkable Product Diversity in the ""Self-Organized"" Reaction of Deprotonated Acetonitrile with Chlorophosphines","Journal of the American Chemical Society","2009","131","","17836","17842","10.1021/ja905676a","","","1.54178","CuKα","","0.0461","0.0432","","","0.1169","0.1198","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105447","34.173","0.005","6.704","0.002","16.712","0.004","90","","102.82","0.02","90","","3733.2","1.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 O2 -","- C27 H20 O2 -","- C216 H160 O16 -","8","1","","Lutz F. Tietze; Alexander Düfert; Florian Lotz; Lars Sölter; Kawon Oum; Thomas Lenzer; Tobias Beck; Regine Herbst-Irmer","Synthesis of Chiroptical Molecular Switches by Pd-Catalyzed Domino Reactions","Journal of the American Chemical Society","2009","131","","17879","17884","10.1021/ja906260x","","","1.54178","CuKα","","0.0349","0.0332","","","0.0839","0.0853","","","","","","1.038","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105448","34.633","0.005","6.646","0.002","16.353","0.004","90","","106.62","0.03","90","","3606.7","1.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 O3 -","- C26 H18 O3 -","- C208 H144 O24 -","8","1","","Lutz F. Tietze; Alexander Düfert; Florian Lotz; Lars Sölter; Kawon Oum; Thomas Lenzer; Tobias Beck; Regine Herbst-Irmer","Synthesis of Chiroptical Molecular Switches by Pd-Catalyzed Domino Reactions","Journal of the American Chemical Society","2009","131","","17879","17884","10.1021/ja906260x","","","1.54178","CuKα","","0.0523","0.0344","","","0.0804","0.0894","","","","","","1.017","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105449","18.491","0.009","9.143","0.009","19.97","0.005","90","","104.27","0.05","90","","3272","4","123.1","","123.1","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Cl5 Ga P4 -","- C24 H44 Cl5 Ga P4 -","- C96 H176 Cl20 Ga4 P16 -","4","1","","Jan J. Weigand; Neil Burford; Reagan J. Davidson; T. Stanley Cameron; Patrick Seelheim","New Synthetic Procedures to Catena-Phosphorus Cations: Preparation and Dissociation of the First cyclo-Phosphino-halophosphonium Salts","Journal of the American Chemical Society","2009","131","","17943","17953","10.1021/ja907693f","","","0.7107","MoKα","","","0.059","","","","0.0589","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105450","17.807","0.0004","17.9537","0.0003","31.5222","0.0008","90","","90","","90","","10077.7","0.4","123.1","","123.1","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H44 Cl16 Ga4 P4 -","- C24 H44 Cl16 Ga4 P4 -","- C192 H352 Cl128 Ga32 P32 -","8","1","","Jan J. Weigand; Neil Burford; Reagan J. Davidson; T. Stanley Cameron; Patrick Seelheim","New Synthetic Procedures to Catena-Phosphorus Cations: Preparation and Dissociation of the First cyclo-Phosphino-halophosphonium Salts","Journal of the American Chemical Society","2009","131","","17943","17953","10.1021/ja907693f","","","0.7107","MoKα","","","0.0478","","","","0.0593","","","","","","0.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105451","10.1235","0.0002","10.1235","0.0002","12.411","0.0005","90","","90","","90","","1271.94","0.06","153","2","153","1","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C24 H44 P4 -","- C24 H44 P4 -","- C48 H88 P8 -","2","0.25","","Jan J. Weigand; Neil Burford; Reagan J. Davidson; T. Stanley Cameron; Patrick Seelheim","New Synthetic Procedures to Catena-Phosphorus Cations: Preparation and Dissociation of the First cyclo-Phosphino-halophosphonium Salts","Journal of the American Chemical Society","2009","131","","17943","17953","10.1021/ja907693f","","","0.71073","MoKα","","0.0222","0.0213","","","0.0573","0.0583","","","","","","1.112","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105452","9.74","0.002","12.396","0.003","28.66","0.007","90","","90.19","0.01","90","","3460.3","1.4","123.1","","123.1","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H40 Cl8 Ga2 P4 -","- C18 H40 Cl8 Ga2 P4 -","- C72 H160 Cl32 Ga8 P16 -","4","1","","Jan J. Weigand; Neil Burford; Reagan J. Davidson; T. Stanley Cameron; Patrick Seelheim","New Synthetic Procedures to Catena-Phosphorus Cations: Preparation and Dissociation of the First cyclo-Phosphino-halophosphonium Salts","Journal of the American Chemical Society","2009","131","","17943","17953","10.1021/ja907693f","","","0.71069","MoKα","","","0.0662","","","","0.1876","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105453","8.783","0.002","13.74","0.003","26.015","0.01","90","","91.964","0.016","90","","3137.6","1.6","123.1","","123.1","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl7 Ga P -","- C6 H11 Cl7 Ga P -","- C48 H88 Cl56 Ga8 P8 -","8","2","","Jan J. Weigand; Neil Burford; Reagan J. Davidson; T. Stanley Cameron; Patrick Seelheim","New Synthetic Procedures to Catena-Phosphorus Cations: Preparation and Dissociation of the First cyclo-Phosphino-halophosphonium Salts","Journal of the American Chemical Society","2009","131","","17943","17953","10.1021/ja907693f","","","0.7107","MoKα","","","0.0386","","","","0.0427","","","","","","1.114","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105454","12.2913","0.0004","14.8034","0.0005","14.9881","0.0006","90","","90","","90","","2727.13","0.17","153","2","153","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H27 Cl8 Ga2 P3 -","- C12 H27 Cl8 Ga2 P3 -","- C48 H108 Cl32 Ga8 P12 -","4","1","","Jan J. Weigand; Neil Burford; Reagan J. Davidson; T. Stanley Cameron; Patrick Seelheim","New Synthetic Procedures to Catena-Phosphorus Cations: Preparation and Dissociation of the First cyclo-Phosphino-halophosphonium Salts","Journal of the American Chemical Society","2009","131","","17943","17953","10.1021/ja907693f","","","0.71073","MoKα","","0.0298","0.0259","","","0.0562","0.0579","","","","","","1.026","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105455","10.5502","0.0003","13.5437","0.0005","13.9971","0.0005","101.395","0.0017","93.704","0.0012","99.35","0.0016","1924.86","0.11","123.1","","123.1","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C24.5 H45 Cl Ga I5 P4 -","- C24.5 H45 Cl Ga I5 P4 -","- C49 H90 Cl2 Ga2 I10 P8 -","2","1","","Jan J. Weigand; Neil Burford; Reagan J. Davidson; T. Stanley Cameron; Patrick Seelheim","New Synthetic Procedures to Catena-Phosphorus Cations: Preparation and Dissociation of the First cyclo-Phosphino-halophosphonium Salts","Journal of the American Chemical Society","2009","131","","17943","17953","10.1021/ja907693f","","","0.7107","MoKα","","","0.0258","","","","0.0305","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105456","6.1146","0.0003","13.5142","0.001","13.7921","0.001","90","","90","","90","","1139.7","0.13","123.1","","123.1","0.2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Cl8 Ga P -","- Cl8 Ga P -","- Cl32 Ga4 P4 -","4","0.5","","Jan J. Weigand; Neil Burford; Reagan J. Davidson; T. Stanley Cameron; Patrick Seelheim","New Synthetic Procedures to Catena-Phosphorus Cations: Preparation and Dissociation of the First cyclo-Phosphino-halophosphonium Salts","Journal of the American Chemical Society","2009","131","","17943","17953","10.1021/ja907693f","","","0.7107","MoKα","","","0.0338","","","","0.0376","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105457","8.3711","0.0008","10.574","0.001","12.9188","0.0013","66.405","0.009","71.879","0.009","85.019","0.008","995.01","0.19","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 F6 N2 O7 S2 -","- C12 H18 F6 N2 O7 S2 -","- C24 H36 F12 N4 O14 S4 -","2","1","","Michael J. Corr; Mark D. Roydhouse; Kirsty F. Gibson; Sheng-ze Zhou; Alan R. Kennedy; John A. Murphy","Amidine Dications as Superelectrophiles","Journal of the American Chemical Society","2009","131","","17980","17985","10.1021/ja908191k","","","1.5418","CuKα","","0.0728","0.0668","","","0.2089","0.2175","","","","","","1.117","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105458","10.6076","0.0003","14.4559","0.0004","18.4307","0.0006","90","","93.899","0.003","90","","2819.67","0.14","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H29 F9 N4 O9 S3 -","- C19 H29 F9 N4 O9 S3 -","- C76 H116 F36 N16 O36 S12 -","4","1","","Michael J. Corr; Mark D. Roydhouse; Kirsty F. Gibson; Sheng-ze Zhou; Alan R. Kennedy; John A. Murphy","Amidine Dications as Superelectrophiles","Journal of the American Chemical Society","2009","131","","17980","17985","10.1021/ja908191k","","","0.71073","MoKα","","0.1024","0.049","","","0.0958","0.1039","","","","","","0.833","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105459","17.171","0.003","13.684","0.002","19.16","0.004","90","","91.517","0.003","90","","4500.4","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{[Me2NN]Ni}2(m-h2:h2-ONAr)","","","- C50 H59 N5 Ni2 O -","- C50 H59 N5 Ni2 O -","- C200 H236 N20 Ni8 O4 -","4","1","","Stefan Wiese; Pooja Kapoor; Kamille D. Williams; Timothy H. Warren","Nitric Oxide Oxidatively Nitrosylates Ni(I) and Cu(I) C-Organonitroso Adducts","Journal of the American Chemical Society","2009","131","","18105","18111","10.1021/ja903550n","","","0.71073","MoKα","","0.1097","0.0547","","","0.1168","0.1289","","","","","","0.991","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105460","35.714","0.011","11.67","0.002","23.333","0.005","90","","93.64","0.02","90","","9705","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{[Me2NN]Cu}2(m-h2:h1-ONAr) + 0.5 ether","","","- C52 H64 Cu2 N5 O1.5 -","- C52 H64 Cu2 N5 O1.5 -","- C416 H512 Cu16 N40 O12 -","8","1","","Stefan Wiese; Pooja Kapoor; Kamille D. Williams; Timothy H. Warren","Nitric Oxide Oxidatively Nitrosylates Ni(I) and Cu(I) C-Organonitroso Adducts","Journal of the American Chemical Society","2009","131","","18105","18111","10.1021/ja903550n","","","0.71073","MoKα","","0.1281","0.0832","","","0.1881","0.2053","","","","","","1.083","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105461","16.0009","0.0014","11.3762","0.001","23.591","0.002","90","","90.729","0.001","90","","4293.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","{[Me2NN]Cu}2(m-h2:h1-ONPh)","","","- C48 H55 Cu2 N5 O -","- C48 H55 Cu2 N5 O -","- C192 H220 Cu8 N20 O4 -","4","1","","Stefan Wiese; Pooja Kapoor; Kamille D. Williams; Timothy H. Warren","Nitric Oxide Oxidatively Nitrosylates Ni(I) and Cu(I) C-Organonitroso Adducts","Journal of the American Chemical Society","2009","131","","18105","18111","10.1021/ja903550n","","","0.71073","MoKα","","0.0458","0.0374","","","0.0973","0.1047","","","","","","1.119","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105462","11.992","0.004","14.491","0.005","15.118","0.005","90","","90","","90","","2627.1","1.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Me2NN]Cu(h2-ONAr)","","","- C29 H34 Cu N3 O -","- C29 H34 Cu N3 O -","- C116 H136 Cu4 N12 O4 -","4","1","","Stefan Wiese; Pooja Kapoor; Kamille D. Williams; Timothy H. Warren","Nitric Oxide Oxidatively Nitrosylates Ni(I) and Cu(I) C-Organonitroso Adducts","Journal of the American Chemical Society","2009","131","","18105","18111","10.1021/ja903550n","","","0.71073","MoKα","","0.1016","0.0518","","","0.1076","0.1211","","","","","","0.989","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105463","11.752","0.002","33.35","0.006","12.6","0.002","90","","101.014","0.002","90","","4847.3","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Me2NN]Cu(h2-ONPh)","","","- C27 H30 Cu N3 O -","- C27 H30 Cu N3 O -","- C216 H240 Cu8 N24 O8 -","8","2","","Stefan Wiese; Pooja Kapoor; Kamille D. Williams; Timothy H. Warren","Nitric Oxide Oxidatively Nitrosylates Ni(I) and Cu(I) C-Organonitroso Adducts","Journal of the American Chemical Society","2009","131","","18105","18111","10.1021/ja903550n","","","0.71073","MoKα","","0.087","0.063","","","0.1621","0.1713","","","","","","1.063","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105464","7.175","0.002","12.144","0.004","15.621","0.005","98.327","0.01","99.958","0.012","91.137","0.01","1325.1","0.7","173","2","273","2","","","","","","","","5","P -1","-P 1","2","[Me2NN]Cu(k2-O2N2Ar)","","","- C29 H34 Cu N4 O2 -","- C29 H34 Cu N4 O2 -","- C58 H68 Cu2 N8 O4 -","2","1","","Stefan Wiese; Pooja Kapoor; Kamille D. Williams; Timothy H. Warren","Nitric Oxide Oxidatively Nitrosylates Ni(I) and Cu(I) C-Organonitroso Adducts","Journal of the American Chemical Society","2009","131","","18105","18111","10.1021/ja903550n","","","0.71073","MoKα","","0.1047","0.0532","","","0.1145","0.1262","","","","","","0.965","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105465","9.4955","0.0017","8.512","0.0015","17.129","0.003","90","","98.142","0.003","90","","1370.5","0.4","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H22 O6 -","- C11 H22 O6 -","- C44 H88 O24 -","4","2","","Karla Ramírez-Gualito; Rosa Alonso-Ríos; Beatriz Quiroz-García; Aarón Rojas-Aguilar; Dolores Díaz; Jesús Jiménez-Barbero; Gabriel Cuevas","Enthalpic Nature of the CH/π Interaction Involved in the Recognition of Carbohydrates by Aromatic Compounds, Confirmed by a Novel Interplay of NMR, Calorimetry, and Theoretical Calculations","Journal of the American Chemical Society","2009","131","","18129","18138","10.1021/ja903950t","","","0.71073","MoKα","","0.0977","0.0551","","","0.1161","0.1339","","","","","","0.982","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105466","7.151","0.0001","22.716","0.0002","10.1132","0.0002","90","","100.7","0.5","90","","1614","3","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 La Na O12 P4 -","- C8 H6 La Na O12.5 P4 -","- C32 H24 La4 Na4 O50 P16 -","4","1","","Monika Plabst; Lynne B. McCusker; Thomas Bein","Exceptional Ion-Exchange Selectivity in a Flexible Open Framework Lanthanum(III) tetrakisphosphonate","Journal of the American Chemical Society","2009","131","","18112","18118","10.1021/ja904636y","powder diffraction","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105467","10.601","0.007","11.556","0.008","13.229","0.009","102.846","0.009","104.607","0.01","97.276","0.005","1500","1.8","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H33 Br -","- C40 H33 Br -","- C80 H66 Br2 -","2","1","","Mikinao Ito; Daisuke Hashizume; Takeo Fukunaga; Tsukasa Matsuo; Kohei Tamao","Isolated Monomeric and Dimeric Mixed Diorganocuprates Based on the Size-Controllable Bulky ""Rind"" Ligands","Journal of the American Chemical Society","2009","131","","18024","18025","10.1021/ja9071964","","","0.71073","MoKα","","0.0853","0.0585","","","0.1351","0.1529","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105468","10.426","0.003","10.58","0.004","13.082","0.004","106.334","0.004","92.053","0.002","108.086","0.004","1304.3","0.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H90 Br2 Cu4 -","- C56 H90 Br2 Cu4 -","- C56 H90 Br2 Cu4 -","1","0.5","","Mikinao Ito; Daisuke Hashizume; Takeo Fukunaga; Tsukasa Matsuo; Kohei Tamao","Isolated Monomeric and Dimeric Mixed Diorganocuprates Based on the Size-Controllable Bulky ""Rind"" Ligands","Journal of the American Chemical Society","2009","131","","18024","18025","10.1021/ja9071964","","","0.71073","MoKα","","0.0739","0.0498","","","0.1104","0.1443","","","","","","1.19","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105469","10.8203","0.0015","13.1963","0.0019","16.471","0.002","93.367","0.002","93.257","0.002","102.391","0.002","2287.3","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C53 H62 Cu Li O2 Si -","- C53 H62 Cu Li O2 Si -","- C106 H124 Cu2 Li2 O4 Si2 -","2","1","","Mikinao Ito; Daisuke Hashizume; Takeo Fukunaga; Tsukasa Matsuo; Kohei Tamao","Isolated Monomeric and Dimeric Mixed Diorganocuprates Based on the Size-Controllable Bulky ""Rind"" Ligands","Journal of the American Chemical Society","2009","131","","18024","18025","10.1021/ja9071964","","","0.71073","MoKα","","0.0685","0.059","","","0.1655","0.1752","","","","","","1.072","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105470","10.5552","0.0018","11.339","0.002","15.234","0.003","83.017","0.007","73.241","0.006","70.01","0.006","1640.1","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H108 Cu4 Si2 -","- C66 H108 Cu4 Si2 -","- C66 H108 Cu4 Si2 -","1","0.5","","Mikinao Ito; Daisuke Hashizume; Takeo Fukunaga; Tsukasa Matsuo; Kohei Tamao","Isolated Monomeric and Dimeric Mixed Diorganocuprates Based on the Size-Controllable Bulky ""Rind"" Ligands","Journal of the American Chemical Society","2009","131","","18024","18025","10.1021/ja9071964","","","0.71073","MoKα","","0.0428","0.0331","","","0.0816","0.0872","","","","","","1.047","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105471","9.985","0.003","20.779","0.005","18.111","0.005","90","","102.684","0.003","90","","3665.9","1.7","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 Si -","- C45 H46 Si -","- C180 H184 Si4 -","4","1","","Mikinao Ito; Daisuke Hashizume; Takeo Fukunaga; Tsukasa Matsuo; Kohei Tamao","Isolated Monomeric and Dimeric Mixed Diorganocuprates Based on the Size-Controllable Bulky ""Rind"" Ligands","Journal of the American Chemical Society","2009","131","","18024","18025","10.1021/ja9071964","","","0.71073","MoKα","","0.1102","0.075","","","0.1802","0.2047","","","","","","1.071","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105472","11.8068","0.0017","13.634","0.002","14.852","0.002","78.014","0.005","75.492","0.006","73.742","0.005","2197.5","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H57 Br Cu Li O3 -","- C52 H57 Br Cu Li O3 -","- C104 H114 Br2 Cu2 Li2 O6 -","2","1","","Mikinao Ito; Daisuke Hashizume; Takeo Fukunaga; Tsukasa Matsuo; Kohei Tamao","Isolated Monomeric and Dimeric Mixed Diorganocuprates Based on the Size-Controllable Bulky ""Rind"" Ligands","Journal of the American Chemical Society","2009","131","","18024","18025","10.1021/ja9071964","","","0.71073","MoKα","","0.0935","0.0659","","","0.1663","0.1848","","","","","","1.069","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105473","10.464","0.002","28.373","0.005","15.696","0.003","90","","104.088","0.003","90","","4519.9","1.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H61 Br Cu Li O3 -","- C52 H61 Br Cu Li O3 -","- C208 H244 Br4 Cu4 Li4 O12 -","4","1","","Mikinao Ito; Daisuke Hashizume; Takeo Fukunaga; Tsukasa Matsuo; Kohei Tamao","Isolated Monomeric and Dimeric Mixed Diorganocuprates Based on the Size-Controllable Bulky ""Rind"" Ligands","Journal of the American Chemical Society","2009","131","","18024","18025","10.1021/ja9071964","","","0.71073","MoKα","","0.1","0.0721","","","0.1845","0.2092","","","","","","1.058","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105474","11.6336","0.0006","18.5857","0.0008","18.3671","0.0009","90","","92.772","0.002","90","","3966.7","0.3","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C35 H58 F3 N O3 P2 Pt Ru2 S -","- C35 H58 F3 N O3 P2 Pt Ru2 S -","- C140 H232 F12 N4 O12 P8 Pt4 Ru8 S4 -","4","1","","Shin Takemoto; Hidenobu Morita; Kenji Karitani; Hideki Fujiwara; Hiroyuki Matsuzaka","A Bimetallic Ru2Pt Complex Containing a Trigonal-Planar μ3-Carbido Ligand: Formation, Structure, and Reactivity Relevant to the Fischer-Tropsch Process","Journal of the American Chemical Society","2009","131","","18026","18027","10.1021/ja907387w","","","0.71075","MoKα","","0.0442","0.0342","","","0.081","0.0907","","","","","","1.073","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105475","8.9775","0.0003","22.5389","0.0008","10.0483","0.0004","90","","97.942","0.001","90","","2013.7","0.13","296","2","296","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C35 H58 F3 N O3 P2 Pt Ru2 S -","- C35 H57 F3 N O3 P2 Pt Ru2 S -","- C70 H114 F6 N2 O6 P4 Pt2 Ru4 S2 -","2","1","","Shin Takemoto; Hidenobu Morita; Kenji Karitani; Hideki Fujiwara; Hiroyuki Matsuzaka","A Bimetallic Ru2Pt Complex Containing a Trigonal-Planar μ3-Carbido Ligand: Formation, Structure, and Reactivity Relevant to the Fischer-Tropsch Process","Journal of the American Chemical Society","2009","131","","18026","18027","10.1021/ja907387w","","","0.71075","MoKα","","0.0367","0.0345","","","0.0774","0.0905","","","","","","1.037","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105476","12.3348","0.0006","12.4787","0.0005","15.2195","0.0006","88.359","0.001","77.721","0.001","87.216","0.001","2285.93","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H60 B N O2 Ru2 -","- C54 H60 B N O2 Ru2 -","- C108 H120 B2 N2 O4 Ru4 -","2","1","","Shin Takemoto; Hidenobu Morita; Kenji Karitani; Hideki Fujiwara; Hiroyuki Matsuzaka","A Bimetallic Ru2Pt Complex Containing a Trigonal-Planar μ3-Carbido Ligand: Formation, Structure, and Reactivity Relevant to the Fischer-Tropsch Process","Journal of the American Chemical Society","2009","131","","18026","18027","10.1021/ja907387w","","","0.71075","MoKα","","0.041","0.0307","","","0.0932","0.1114","","","","","","1.111","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105477","10.7624","0.0005","7.9949","0.0002","10.9354","0.0004","90","","118.459","0.005","90","","827.23","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C40 H38 N6 O2 -","2","1","","Danny C. Hsu; Polo C.-H. Lam; Carla Slebodnick; Paul R. Carlier","Complete Mapping of the Stereochemical Course of Retentive Deprotonation/Alkylation of 1H-Benzo[e][1,4]diazepin-2(3H)-ones","Journal of the American Chemical Society","2009","131","","18168","18176","10.1021/ja907507j","","x-ray","1.54178","CuKα","","0.0345","0.0338","","","0.089","0.09","","","","","","1.038","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105478","11.0406","0.0004","10.7876","0.0004","13.5147","0.0005","90","","102.36","0.004","90","","1572.31","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C76 H80 N8 O4 -","4","2","","Danny C. Hsu; Polo C.-H. Lam; Carla Slebodnick; Paul R. Carlier","Complete Mapping of the Stereochemical Course of Retentive Deprotonation/Alkylation of 1H-Benzo[e][1,4]diazepin-2(3H)-ones","Journal of the American Chemical Society","2009","131","","18168","18176","10.1021/ja907507j","","x-ray","0.71073","MoKα","","0.0532","0.0388","","","0.0822","0.0865","","","","","","0.944","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105479","10.4607","0.0005","14.0476","0.0005","16.0488","0.0006","90","","90","","90","","2358.33","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 N2 O Si -","- C25 H34 N2 O Si -","- C100 H136 N8 O4 Si4 -","4","1","","Danny C. Hsu; Polo C.-H. Lam; Carla Slebodnick; Paul R. Carlier","Complete Mapping of the Stereochemical Course of Retentive Deprotonation/Alkylation of 1H-Benzo[e][1,4]diazepin-2(3H)-ones","Journal of the American Chemical Society","2009","131","","18168","18176","10.1021/ja907507j","","x-ray","1.54178","CuKα","","0.047","0.0329","","","0.0646","0.0714","","","","","","0.915","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105480","5.4264","0.0005","8.6712","0.0007","32.044","0.003","90","","90","","90","","1507.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","","Stepan Chuprakov; Sen Wai Kwok; Li Zhang; Lukas Lercher; Valery V. Fokin","Rhodium-Catalyzed Enantioselective Cyclopropanation of Olefins with N-Sulfonyl 1,2,3-Triazoles","Journal of the American Chemical Society","2009","131","","18034","18035","10.1021/ja908075u","","","1.54178","CuKα","","0.0278","0.0254","","","0.0641","0.0652","","","","","","1.047","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105481","17.401","0.004","31.951","0.009","9.613","0.002","90","","95.45","0.02","90","","5320","2","299","","299","","","","","","","","Local laboratory","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H50 Fe N7 O10 P2 -","- C57 H50 Fe N7 O10 P2 -","- C228 H200 Fe4 N28 O40 P8 -","4","1","","William Chadwick Ellis; Camly T. Tran; Matthew A. Denardo; Andreas Fischer; Alexander D. Ryabov; Terrence J. Collins","Design of More Powerful Iron-TAML Peroxidase Enzyme Mimics","Journal of the American Chemical Society","2009","131","","18052","18053","10.1021/ja9086837","","","0.71073","MoKα","","0.0779","0.0488","","","0.0942","0.1069","","","","","","1.086","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105482","43.572","0.004","5.0329","0.0005","12.2533","0.0011","90","","105.356","0.002","90","","2591.1","0.4","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Zn(C6H5-CN4-C6H4CO2)2(H2O)2","","","- C28 H22 N8 O6 Zn -","- C28 H22 N8 O6 Zn -","- C112 H88 N32 O24 Zn4 -","4","0.5","","Shao-Liang Zheng; Yizhong Wang; Zhipeng Yu; Qing Lin; Philip Coppens","Direct Observation of a Photoinduced Nonstabilized Nitrile Imine Structure in the Solid State","Journal of the American Chemical Society","2009","131","","18036","18037","10.1021/ja9094523","","x-ray","0.71073","MoKα","","0.0399","0.0312","","","0.0778","0.0828","","","","","","1.104","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105483","17.751","0.007","6.019","0.002","23.625","0.009","90","","90.99","0.01","90","","2523.8","1.6","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Zn(CO2C6H5-CN4-C6H4NH2)2","","","- C28 H20 N10 O4 Zn -","- C28 H20 N10 O4 Zn -","- C112 H80 N40 O16 Zn4 -","4","0.5","","Shao-Liang Zheng; Yizhong Wang; Zhipeng Yu; Qing Lin; Philip Coppens","Direct Observation of a Photoinduced Nonstabilized Nitrile Imine Structure in the Solid State","Journal of the American Chemical Society","2009","131","","18036","18037","10.1021/ja9094523","","x-ray","0.71073","MoKα","","0.2136","0.0649","","","0.1382","0.2104","","","","","","0.975","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105484","16.3473","0.001","6.2913","0.0004","7.0714","0.0004","90","","95.929","0.002","90","","723.37","0.08","90","2","90","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","Zn(CO2C6H5-CN4-C6H4CO2)(H2O)2","","","- C15 H10 N4 O5 Zn -","- C15 H10 N4 O5 Zn -","- C30 H20 N8 O10 Zn2 -","2","0.5","","Shao-Liang Zheng; Yizhong Wang; Zhipeng Yu; Qing Lin; Philip Coppens","Direct Observation of a Photoinduced Nonstabilized Nitrile Imine Structure in the Solid State","Journal of the American Chemical Society","2009","131","","18036","18037","10.1021/ja9094523","","x-ray","0.71073","MoKα","","0.0321","0.0264","","","0.0693","0.072","","","","","","1.104","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105485","16.3448","0.0017","6.3194","0.0007","7.1439","0.0007","90","","96.469","0.003","90","","733.19","0.13","90","2","90","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C15 H10 N3.89 O5 Zn -","- C15 H10 N3.894 O5 Zn -","- C30 H20 N7.788 O10 Zn2 -","2","0.5","","Shao-Liang Zheng; Yizhong Wang; Zhipeng Yu; Qing Lin; Philip Coppens","Direct Observation of a Photoinduced Nonstabilized Nitrile Imine Structure in the Solid State","Journal of the American Chemical Society","2009","131","","18036","18037","10.1021/ja9094523","","x-ray","0.71073","MoKα","","0.0582","0.0437","","","0.1087","0.1167","","","","","","1.129","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105486","6.0952","0.0011","10.4482","0.0019","25.943","0.005","90","","102.915","0.004","90","","1610.4","0.5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Zn(CO2C6H5-CN4-C6H4CO2)(NH3)2","","","- C15 H14 N6 O4 Zn -","- C15 H14 N6 O4 Zn -","- C60 H56 N24 O16 Zn4 -","4","1","","Shao-Liang Zheng; Yizhong Wang; Zhipeng Yu; Qing Lin; Philip Coppens","Direct Observation of a Photoinduced Nonstabilized Nitrile Imine Structure in the Solid State","Journal of the American Chemical Society","2009","131","","18036","18037","10.1021/ja9094523","","x-ray","0.71073","MoKα","","0.0706","0.0413","","","0.0843","0.0953","","","","","","1.05","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105487","12.4251","0.0009","5.2084","0.0004","19.7678","0.0014","90","","106.999","0.002","90","","1223.38","0.16","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Zn(CO2-C6H4-CN4-C6H4-OH2)2(H2O)4(CH3OH)2","","","- C18 H26 N8 O12 Zn -","- C18 H26 N8 O12 Zn -","- C36 H52 N16 O24 Zn2 -","2","0.5","","Shao-Liang Zheng; Yizhong Wang; Zhipeng Yu; Qing Lin; Philip Coppens","Direct Observation of a Photoinduced Nonstabilized Nitrile Imine Structure in the Solid State","Journal of the American Chemical Society","2009","131","","18036","18037","10.1021/ja9094523","","x-ray","0.71073","MoKα","","0.0302","0.0248","","","0.0593","0.0616","","","","","","1.057","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105488","7.2682","0.0004","7.2725","0.0004","12.8156","0.0007","86.806","0.001","84.082","0.001","63.867","0.001","604.88","0.06","90","2","90","2","","","","","","","","5","P -1","-P 1","2","[NH4][Zn(CO2-CN4-C6H4-CO2)(H2O)2]","","","- C18 H24 N10 O12 Zn -","- C18 H24 N10 O12 Zn -","- C18 H24 N10 O12 Zn -","1","0.5","","Shao-Liang Zheng; Yizhong Wang; Zhipeng Yu; Qing Lin; Philip Coppens","Direct Observation of a Photoinduced Nonstabilized Nitrile Imine Structure in the Solid State","Journal of the American Chemical Society","2009","131","","18036","18037","10.1021/ja9094523","","x-ray","0.71073","MoKα","","0.024","0.0229","","","0.0619","0.0626","","","","","","1.089","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105489","12.674","0.003","13.515","0.003","16.916","0.004","93.453","0.016","104.094","0.016","113.797","0.013","2530","1.1","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H68 Co N6 O8 -","- C50 H68 Co N6 O8 -","- C100 H136 Co2 N12 O16 -","2","1","","Martin L. Kirk; David A. Shultz; Robert D. Schmidt; Diana Habel-Rodriguez; Hyoyoung Lee; Junghyun Lee","Ferromagnetic Nanoscale Electron Correlation Promoted by Organic Spin-Dependent Delocalization","Journal of the American Chemical Society","2009","131","","18304","18313","10.1021/ja904648r","","","1.5418","CuKα","","0.287","0.0829","","","0.1661","0.2306","","","","","","0.665","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105490","8.5888","0.0011","13.3339","0.0016","15.1952","0.0019","83.7898","0.0018","84.083","0.002","81.527","0.002","1704.4","0.4","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C64.32 H80.65 Cl4.65 Co N6 O8 -","- C64.324 H80.648 Cl4.648 Co N6 O8 -","- C64.324 H80.648 Cl4.648 Co N6 O8 -","1","0.5","","Martin L. Kirk; David A. Shultz; Robert D. Schmidt; Diana Habel-Rodriguez; Hyoyoung Lee; Junghyun Lee","Ferromagnetic Nanoscale Electron Correlation Promoted by Organic Spin-Dependent Delocalization","Journal of the American Chemical Society","2009","131","","18304","18313","10.1021/ja904648r","","","0.71073","MoKα","","0.1163","0.0798","","","0.226","0.261","","","","","","1.045","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105491","10.102","0.01","5.802","0.006","15.213","0.015","90","","103.938","0.017","90","","865.4","1.5","168","","168","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H24 O -","- C23 H24 O -","- C46 H48 O2 -","2","1","","Barry M. Trost; Jiayi Xu; Thomas Schmidt","Palladium-Catalyzed Decarboxylative Asymmetric Allylic Alkylation of Enol Carbonates","Journal of the American Chemical Society","2009","131","","18343","18357","10.1021/ja9053948","","","0.71073","MoKα","","0.0686","0.0446","","","0.0929","0.1024","","","","","","1.037","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105492","10.0657","0.0004","25.801","0.0011","17.638","0.0007","90","","90.139","0.004","90","","4580.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C61 H52 P2 Ru -","- C61 H52 P2 Ru -","- C244 H208 P8 Ru4 -","4","1","","Chia-Pei Chung; Chien-Chih Chen; Ying-Chih Lin; Yi-Hong Liu; Yu Wang","Reactions of Ruthenium Cp Phosphine Complex with 4,4-Disubstituted-1,6-Enynes: Effect of Methyl Substituents in the Olefinic Fraction","Journal of the American Chemical Society","2009","131","","18366","18375","10.1021/ja906745j","","","0.71073","MoKα","","0.049","0.0329","","","0.0807","0.0847","","","","","","1.03","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105493","11.282","0.002","21.112","0.004","22.568","0.005","90","","91.06","0.03","90","","5374.5","1.8","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60.5 H53 F6 O0.5 P3 Ru -","- C60.5 H53 F6 O0.5 P3 Ru -","- C242 H212 F24 O2 P12 Ru4 -","4","1","","Chia-Pei Chung; Chien-Chih Chen; Ying-Chih Lin; Yi-Hong Liu; Yu Wang","Reactions of Ruthenium Cp Phosphine Complex with 4,4-Disubstituted-1,6-Enynes: Effect of Methyl Substituents in the Olefinic Fraction","Journal of the American Chemical Society","2009","131","","18366","18375","10.1021/ja906745j","","","0.71073","MoKα","","0.0667","0.0414","","","0.1176","0.1335","","","","","","1.074","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105494","13.9207","0.0003","13.9477","0.0004","22.7647","0.0007","85.489","0.002","75.201","0.002","82.549","0.002","4232.5","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H47 F6 O1.5 P2 Ru -","- C47 H47 F6 O1.5 P2 Ru -","- C188 H188 F24 O6 P8 Ru4 -","4","2","","Chia-Pei Chung; Chien-Chih Chen; Ying-Chih Lin; Yi-Hong Liu; Yu Wang","Reactions of Ruthenium Cp Phosphine Complex with 4,4-Disubstituted-1,6-Enynes: Effect of Methyl Substituents in the Olefinic Fraction","Journal of the American Chemical Society","2009","131","","18366","18375","10.1021/ja906745j","","","0.71073","MoKα","","0.1066","0.0518","","","0.1219","0.1385","","","","","","0.902","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105495","9.957","0.0002","36.5312","0.0008","13.9075","0.0003","90","","105.754","0.002","90","","4868.71","0.19","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H56 O P2 Ru -","- C61 H56 O P2 Ru -","- C244 H224 O4 P8 Ru4 -","4","1","","Chia-Pei Chung; Chien-Chih Chen; Ying-Chih Lin; Yi-Hong Liu; Yu Wang","Reactions of Ruthenium Cp Phosphine Complex with 4,4-Disubstituted-1,6-Enynes: Effect of Methyl Substituents in the Olefinic Fraction","Journal of the American Chemical Society","2009","131","","18366","18375","10.1021/ja906745j","","","0.71073","MoKα","","0.0712","0.0536","","","0.1076","0.1124","","","","","","1.12","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105496","10.0106","0.0002","13.8053","0.0003","20.7787","0.0004","72.634","0.001","81.477","0.002","74.846","0.001","2637.72","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H57 F6 P3 Ru -","- C62 H57 F6 P3 Ru -","- C124 H114 F12 P6 Ru2 -","2","1","","Chia-Pei Chung; Chien-Chih Chen; Ying-Chih Lin; Yi-Hong Liu; Yu Wang","Reactions of Ruthenium Cp Phosphine Complex with 4,4-Disubstituted-1,6-Enynes: Effect of Methyl Substituents in the Olefinic Fraction","Journal of the American Chemical Society","2009","131","","18366","18375","10.1021/ja906745j","","","0.71073","MoKα","","0.1015","0.0671","","","0.1681","0.1873","","","","","","1.113","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105497","9.4519","0.0019","14.714","0.003","15.772","0.003","62.46","0.03","78.78","0.02","82.1","0.03","1904.9","0.8","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H66 Cd3 Cl4 N4 O8 S8 -","- C76 H66 Cd3 Cl4 N4 O8 S8 -","- C76 H66 Cd3 Cl4 N4 O8 S8 -","1","0.5","","Michelle L. Mejía; Kyriacos Agapiou; Xiaoping Yang; Bradley J. Holliday","Seeded Growth of CdS Nanoparticles within a Conducting Metallopolymer Matrix","Journal of the American Chemical Society","2009","131","","18196","18197","10.1021/ja906773g","","","0.71073","MoKα","","0.0649","0.0455","","","0.1161","0.1351","","","","","","1.048","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105498","13.987","0.0012","16.1923","0.0012","14.2982","0.0011","90","","95.248","0.003","90","","3224.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H57 N7 O2 Zr -","- C25 H57 N7 O2 Zr -","- C100 H228 N28 O8 Zr4 -","4","1","","David C. Leitch; Philippa R. Payne; Christine R. Dunbar; Laurel L. Schafer","Broadening the Scope of Group 4 Hydroamination Catalysis Using a Tethered Ureate Ligand","Journal of the American Chemical Society","2009","131","","18246","18247","10.1021/ja906955b","","","0.71073","MoKα","","0.0456","0.0334","","","0.0877","0.0943","","","","","","1.033","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105499","7.873","0.003","26.978","0.01","10.642","0.004","90","","109.945","0.004","90","","2124.8","1.4","293","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C19 H10 Au2 Cl N7 Pb -","- C19 H10 Au2 Cl N7 Pb -","- C76 H40 Au8 Cl4 N28 Pb4 -","4","1","","Michael J. Katz; Daniel B. Leznoff","Highly Birefringent Cyanoaurate Coordination Polymers: The Effect of Polarizable C-X Bonds (X = Cl, Br)","Journal of the American Chemical Society","2009","131","","18435","18444","10.1021/ja907519c","","","0.71073","MoKα","","0.1053","0.0747","","0.5973","0.0822","0.0819","","","","","","3.505","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105500","8.768","0.0003","23.6668","0.0007","11.2028","0.0003","90","","111.505","0.002","90","","2162.87","0.12","150","","150","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C19 H11.48 Au2 Br N7 O0.74 Pb -","- C19 H11.4798 Au2 Br N7 O0.7399 Pb -","- C76 H45.9192 Au8 Br4 N28 O2.9596 Pb4 -","4","1","","Michael J. Katz; Daniel B. Leznoff","Highly Birefringent Cyanoaurate Coordination Polymers: The Effect of Polarizable C-X Bonds (X = Cl, Br)","Journal of the American Chemical Society","2009","131","","18435","18444","10.1021/ja907519c","","","0.71073","MoKα","","0.099","0.0323","","0.065","0.0366","0.0359","","","","","","0.8448","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105501","13.607","0.003","10.612","0.002","32.64","0.007","90","","98.573","0.003","90","","4660.5","1.7","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Au2 Cl Mn N7 O0.5 -","- C19 H11 Au2 Cl Mn N7 O0.5 -","- C152 H88 Au16 Cl8 Mn8 N56 O4 -","8","2","","Michael J. Katz; Daniel B. Leznoff","Highly Birefringent Cyanoaurate Coordination Polymers: The Effect of Polarizable C-X Bonds (X = Cl, Br)","Journal of the American Chemical Society","2009","131","","18435","18444","10.1021/ja907519c","","","0.71073","MoKα","","0.1279","0.0556","","0.5445","0.0655","0.0621","","","","","","1.2911","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105502","9.4193","0.0015","25.448","0.004","9.8955","0.0016","90","","113.855","0.002","90","","2169.3","0.6","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H10 Au2 Br Mn N7 -","- C19 H10 Au2 Br Mn N7 -","- C76 H40 Au8 Br4 Mn4 N28 -","4","1","","Michael J. Katz; Daniel B. Leznoff","Highly Birefringent Cyanoaurate Coordination Polymers: The Effect of Polarizable C-X Bonds (X = Cl, Br)","Journal of the American Chemical Society","2009","131","","18435","18444","10.1021/ja907519c","","","0.71073","MoKα","","0.0442","0.0225","","0.0265","0.0212","0.0205","","","","","","0.6134","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105503","18.9665","0.0006","22.4906","0.0008","32.4187","0.001","90","","109.313","0.002","90","","13050.6","0.8","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C160 H214 Ag40 F36 O56 V10 -","- C143 H169 Ag40 F25.7 O54 V10 -","- C286 H338 Ag80 F51.4 O108 V20 -","2","0.5","","Guang-Gang Gao; Ping-Shing Cheng; Thomas C. W. Mak","Acid-Induced Surface Functionalization of Polyoxometalate by Enclosure in a Polyhedral Silver-Alkynyl Cage","Journal of the American Chemical Society","2009","131","","18257","18259","10.1021/ja907900b","","","0.71073","MoKα","","0.1321","0.0579","","","0.1525","0.1998","","","","","","0.997","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105504","22.29","0.003","20.47","0.003","27.561","0.004","90","","93.97","0.005","90","","12545","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C146 H188 Ag40 F36 Mo6 O48 -","- C110.5 H104 Ag40 F19 Mo6 O45 -","- C221 H208 Ag80 F38 Mo12 O90 -","2","0.5","","Guang-Gang Gao; Ping-Shing Cheng; Thomas C. W. Mak","Acid-Induced Surface Functionalization of Polyoxometalate by Enclosure in a Polyhedral Silver-Alkynyl Cage","Journal of the American Chemical Society","2009","131","","18257","18259","10.1021/ja907900b","","","0.71073","MoKα","","0.1127","0.0583","","","0.1536","0.1957","","","","","","1.025","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105505","15.1091","0.0011","15.8098","0.0012","16.8562","0.0012","113.821","0.001","101.141","0.001","105.902","0.001","3324.5","0.4","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H134 Ag24 F18 O21 V2 -","- C49 H67 Ag12 F9 O10.5 V -","- C98 H134 Ag24 F18 O21 V2 -","2","1","","Guang-Gang Gao; Ping-Shing Cheng; Thomas C. W. Mak","Acid-Induced Surface Functionalization of Polyoxometalate by Enclosure in a Polyhedral Silver-Alkynyl Cage","Journal of the American Chemical Society","2009","131","","18257","18259","10.1021/ja907900b","","","0.71073","MoKα","","0.0427","0.0372","","","0.0923","0.0981","","","","","","0.994","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105506","14.3076","0.0013","15.8713","0.0014","28.861","0.003","91.321","0.002","90.098","0.002","116.607","0.002","5857.6","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H117 Ag20 F15 Mo O14 -","- C88 H117 Ag20 F15 Mo O14 -","- C176 H234 Ag40 F30 Mo2 O28 -","2","1","","Guang-Gang Gao; Ping-Shing Cheng; Thomas C. W. Mak","Acid-Induced Surface Functionalization of Polyoxometalate by Enclosure in a Polyhedral Silver-Alkynyl Cage","Journal of the American Chemical Society","2009","131","","18257","18259","10.1021/ja907900b","","","0.71073","MoKα","","0.057","0.0454","","","0.1041","0.114","","","","","","1.049","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105507","7.4204","0.0014","13.393","0.002","17.56","0.003","90","","98.428","0.004","90","","1726.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br N O2 -","- C20 H18 Br N O2 -","- C80 H72 Br4 N4 O8 -","4","1","","Bai-Lin Lei; Chang-Hua Ding; Xiao-Fei Yang; Xiao-Long Wan; Xue-Long Hou","Kinetic Resolution of 2,3-Dihydro-2-substituted 4-Quinolones by Palladium-Catalyzed Asymmetric Allylic Alkylation","Journal of the American Chemical Society","2009","131","","18250","18251","10.1021/ja9082717","","","0.71073","MoKα","","0.0875","0.0442","","","0.0957","0.1041","","","","","","0.826","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105508","9.9194","0.0012","13.9201","0.0017","15.389","0.0019","90","","101.192","0.003","90","","2084.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C104 H104 N8 O4 -","4","1","","Bai-Lin Lei; Chang-Hua Ding; Xiao-Fei Yang; Xiao-Long Wan; Xue-Long Hou","Kinetic Resolution of 2,3-Dihydro-2-substituted 4-Quinolones by Palladium-Catalyzed Asymmetric Allylic Alkylation","Journal of the American Chemical Society","2009","131","","18250","18251","10.1021/ja9082717","","","0.71073","MoKα","","0.0946","0.0575","","","0.135","0.1596","","","","","","0.9","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105509","14.722","0.0005","6.9461","0.0002","18.2613","0.0006","90","","103.471","0.001","90","","1816.03","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 N5 O6 -","- C20 H11 N5 O6 -","- C80 H44 N20 O24 -","4","1","","Guillaume Berionni; Pierre-Alexandre Bertelle; Jérome Marrot; Régis Goumont","X-ray Structure of a CT Complex Relevant to Diels-Alder Reactivity of Anthracenes","Journal of the American Chemical Society","2009","131","","18224","18225","10.1021/ja908747j","","","0.71073","MoKα","","0.2022","0.1173","","","0.3543","0.4249","","","","","","1.353","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105510","7.4085","0.0005","7.0086","0.0005","13.4995","0.0009","90","","95.809","0.001","90","","697.34","0.08","295","2","295","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C17 H21 N O -","- C17 H21 N O -","- C34 H42 N2 O2 -","2","0.5","","Ying-Chieh Wong; Kanniyappan Parthasarathy; Chien-Hong Cheng","Cobalt-Catalyzed Regioselective Synthesis of Pyrrolidinone Derivatives by Reductive Coupling of Nitriles and Acrylamides","Journal of the American Chemical Society","2009","131","","18252","18253","10.1021/ja9088296","","","0.71073","MoKα","","0.0631","0.048","","","0.1315","0.1432","","","","","","1.073","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105511","26.0513","0.0016","8.7146","0.0005","17.4785","0.0011","90","","125.185","0.001","90","","3243.1","0.3","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C160 H168 N8 O16 -","8","1","","Ying-Chieh Wong; Kanniyappan Parthasarathy; Chien-Hong Cheng","Cobalt-Catalyzed Regioselective Synthesis of Pyrrolidinone Derivatives by Reductive Coupling of Nitriles and Acrylamides","Journal of the American Chemical Society","2009","131","","18252","18253","10.1021/ja9088296","","","0.71073","MoKα","","0.0634","0.0443","","","0.1116","0.1253","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105512","15.97","0.0003","15.97","0.0003","19.09","0.0005","90","","90","","120","","4216.44","0.16","173","1","173","1","","","","","","","","7","P 65","P 65","170","","","","- C29 H29 Cl N O5 P S -","- C29 H28 Cl N O5 P S -","- C174 H168 Cl6 N6 O30 P6 S6 -","6","1","","Shuichi Nakamura; Masashi Hayashi; Yuichi Hiramatsu; Norio Shibata; Yasuhiro Funahashi; Takeshi Toru","Catalytic Enantioselective Hydrophosphonylation of Ketimines Using Cinchona Alkaloids","Journal of the American Chemical Society","2009","131","","18240","18241","10.1021/ja908940e","","","0.7107","MoKα","","","0.0523","","","","0.1556","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105513","32.529","0.004","6.272","0.0008","36.401","0.005","90","","95.816","0.012","90","","7388.4","1.7","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C39 H36 Au Cl N2 S4 -","- C39 H36 Au Cl N2 S4 -","- C312 H288 Au8 Cl8 N16 S32 -","8","1","","Adam B. Powell; Christopher W. Bielawski; Alan H. Cowley","Electropolymerization of an N-Heterocyclic Carbene-Gold(I) Complex","Journal of the American Chemical Society","2009","131","","18232","18233","10.1021/ja908969q","","","0.71075","MoKα","","0.1038","0.0686","","","0.144","0.161","","","","","","1.224","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105514","19.5674","0.0005","21.3428","0.0005","7.7545","0.0002","90","","90","","90","","3238.46","0.14","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C152 H136 N24 O16 -","8","1","","Shainaz M. Landge; Ivan Aprahamian","A pH Activated Configurational Rotary Switch: Controlling the E/Z Isomerization in Hydrazones","Journal of the American Chemical Society","2009","131","","18269","18271","10.1021/ja909149z","","x-ray","0.71073","MoKα","","0.0733","0.0409","","","0.095","0.1125","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105515","22.4939","0.0013","41.963","0.002","30.9247","0.0017","90","","108.129","0.001","90","","27741","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C231 H215 N27 Na Nd17 Se34 -","- C231 H215 N27 Na Nd17 Se34 -","- C924 H860 N108 Na4 Nd68 Se136 -","4","0.5","","Brian F. Moore; G. Ajith Kumar; Mei-Chee Tan; Jesse Kohl; Richard E. Riman; Mikhail G. Brik; Thomas J. Emge; John G. Brennan","Lanthanide Clusters with Chalcogen Encapsulated Ln: NIR Emission from Nanoscale NdSex","Journal of the American Chemical Society","2011","133","","373","378","10.1021/ja1069322","","","0.71073","MoKα","","0.0828","0.0516","","","0.1425","0.1544","","","","","","1.075","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105516","22.5455","0.0011","42.056","0.002","31.0886","0.0016","90","","108.099","0.001","90","","28019","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C231 H215 Ce17 N27 Na Se34 -","- C231 H215 Ce17 N27 Na Se34 -","- C924 H860 Ce68 N108 Na4 Se136 -","4","0.5","","Brian F. Moore; G. Ajith Kumar; Mei-Chee Tan; Jesse Kohl; Richard E. Riman; Mikhail G. Brik; Thomas J. Emge; John G. Brennan","Lanthanide Clusters with Chalcogen Encapsulated Ln: NIR Emission from Nanoscale NdSex","Journal of the American Chemical Society","2011","133","","373","378","10.1021/ja1069322","","","0.71073","MoKα","","0.0984","0.0509","","","0.1426","0.1623","","","","","","1.066","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105517","10.8106","0.0008","10.8904","0.0008","11.0467","0.0008","85.761","0.001","76.874","0.001","89.456","0.001","1263.07","0.16","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","eistl01","","","- C28 H31 B F2 N4 -","- C28 H31 B F2 N4 -","- C56 H62 B2 F4 N8 -","2","1","","Theodore Lazarides; Theresa M. McCormick; Kristina C. Wilson; Soohyun Lee; David W. McCamant; Richard Eisenberg","Sensitizing the Sensitizer: The Synthesis and Photophysical Study of Bodipy-Pt(II)(diimine)(dithiolate) Conjugates","Journal of the American Chemical Society","2011","133","","350","364","10.1021/ja1070366","","","0.71073","MoKα","","0.0781","0.0487","","","0.1229","0.1379","","","","","","1.023","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105518","37.713","0.003","7.6858","0.0006","22.7719","0.0019","90","","99.304","0.001","90","","6513.7","0.9","100","0.1","100","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","eistl02","","","- C34.5 H36 B Cl F2 N4 Pt S2 -","- C34.5 H36 B Cl F2 N4 Pt S2 -","- C276 H288 B8 Cl8 F16 N32 Pt8 S16 -","8","1","","Theodore Lazarides; Theresa M. McCormick; Kristina C. Wilson; Soohyun Lee; David W. McCamant; Richard Eisenberg","Sensitizing the Sensitizer: The Synthesis and Photophysical Study of Bodipy-Pt(II)(diimine)(dithiolate) Conjugates","Journal of the American Chemical Society","2011","133","","350","364","10.1021/ja1070366","","","0.71073","MoKα","","0.0411","0.0276","","","0.0547","0.0582","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105519","15.0469","0.0011","11.4513","0.0008","13.4908","0.001","90","","103.051","0.001","90","","2264.5","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","eistl06","","","- C24 H28 N2 Pt S2 -","- C24 H28 N2 Pt S2 -","- C96 H112 N8 Pt4 S8 -","4","1","","Theodore Lazarides; Theresa M. McCormick; Kristina C. Wilson; Soohyun Lee; David W. McCamant; Richard Eisenberg","Sensitizing the Sensitizer: The Synthesis and Photophysical Study of Bodipy-Pt(II)(diimine)(dithiolate) Conjugates","Journal of the American Chemical Society","2011","133","","350","364","10.1021/ja1070366","","","0.71073","MoKα","","0.0442","0.0236","","","0.0585","0.0724","","","","","","1.087","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105520","19.3366","0.0009","11.8007","0.0005","25.3005","0.0016","90","","99.686","0.001","90","","5690.9","0.5","90","2","90","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C68 H82 Ge2 -","- C68 H82 Ge2 -","- C272 H328 Ge8 -","4","0.5","","Owen T. Summerscales; J. Oscar C. Jiménez-Halla; Gabriel Merino; Philip P. Power","Unusual Electrocyclic Rearrangements with Group 14 Element Compounds: Reversible Isomerization of a π-Aromatic Digermyl Complex with Carbon-Carbon and Germanium-Germanium Multiple Bond Cleavage","Journal of the American Chemical Society","2011","133","","180","183","10.1021/ja107380p","","","0.71073","MoKα","","0.0339","0.0297","","","0.0753","0.0768","","","","","","1.068","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105521","13.0753","0.0007","34.0196","0.0017","13.3778","0.0007","90","","93.156","0.002","90","","5941.6","0.5","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H92 Ge2 O -","- C72 H92 Ge2 O -","- C288 H368 Ge8 O4 -","4","1","","Owen T. Summerscales; J. Oscar C. Jiménez-Halla; Gabriel Merino; Philip P. Power","Unusual Electrocyclic Rearrangements with Group 14 Element Compounds: Reversible Isomerization of a π-Aromatic Digermyl Complex with Carbon-Carbon and Germanium-Germanium Multiple Bond Cleavage","Journal of the American Chemical Society","2011","133","","180","183","10.1021/ja107380p","","","1.54178","CuKα","","0.0309","0.0298","","","0.1299","0.1348","","","","","","2.059","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105522","12.3808","0.0003","12.7008","0.0003","23.8421","0.0005","92.965","0.001","97.411","0.001","106.948","0.001","3540.49","0.14","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H43.5 N7 Na O51.5 P Re W12 -","- C33 H39 N7 Na O51.5 P Re W12 -","- C66 H78 N14 Na2 O103 P2 Re2 W24 -","2","1","","Jessica Ettedgui; Yael Diskin-Posner; Lev Weiner; Ronny Neumann","Photoreduction of Carbon Dioxide to Carbon Monoxide with Hydrogen Catalyzed by a Rhenium(I) Phenanthroline-Polyoxometalate Hybrid Complex","Journal of the American Chemical Society","2011","133","","188","190","10.1021/ja1078199","","","0.71073","MoKα","","0.0602","0.0395","","","0.0806","0.088","","","","","","1.054","","","","has coordinates,has disorder","286259","2023-09-07","06:03:18",""
"4105523","10.49","0.002","6.2315","0.0012","14.9","0.003","90","","92.2","0.03","90","","973.3","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O6 -","- C20 H32 O6 -","- C40 H64 O12 -","2","1","","K. C. Nicolaou; Jae Hong Seo; Tsuyoshi Nakamura; Robert J. Aversa","Synthesis of the C'D'E'F' Domain of Maitotoxin","Journal of the American Chemical Society","2011","133","","214","219","10.1021/ja109531d","","","0.71073","MoKα","","0.0804","0.0671","","","0.17","0.1802","","","","","","1.092","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105524","5.8955","0.0008","7.4844","0.001","28.011","0.004","90","","90","","90","","1236","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N O -","- C16 H13 N O -","- C64 H52 N4 O4 -","4","1","","Israel Cano; Eleuterio Álvarez; M. Carmen Nicasio; Pedro J. Pérez","Regioselective Formation of 2,5-Disubstituted Oxazoles Via Copper(I)-Catalyzed Cycloaddition of Acyl Azides and 1-Alkynes","Journal of the American Chemical Society","2011","133","","191","193","10.1021/ja109732s","","","0.71073","MoKα","","0.0608","0.0508","","","0.1133","0.1184","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105525","14.772","0.009","6.001","0.004","19.196","0.009","90","","95.31","0.02","90","","1694.4","1.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N O -","- C23 H15 N O -","- C92 H60 N4 O4 -","4","1","","Israel Cano; Eleuterio Álvarez; M. Carmen Nicasio; Pedro J. Pérez","Regioselective Formation of 2,5-Disubstituted Oxazoles Via Copper(I)-Catalyzed Cycloaddition of Acyl Azides and 1-Alkynes","Journal of the American Chemical Society","2011","133","","191","193","10.1021/ja109732s","","","0.71073","MoKα","","0.0942","0.072","","","0.1969","0.2343","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105526","13.7023","0.0002","14.0842","0.0003","23.0481","0.0004","84.632","0.001","76.883","0.001","68.292","0.001","4024.46","0.13","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C154 H147 F48 N13 O16 P8 -","- C154 H147 F48 N13 O16 P8 -","- C154 H147 F48 N13 O16 P8 -","1","0.5","","Lei Fang; Subhadeep Basu; Chi-Hau Sue; Albert C. Fahrenbach; J. Fraser Stoddart","Syntheses and Dynamics of Donor-Acceptor [2]Catenanes in Water","Journal of the American Chemical Society","2011","133","","396","399","10.1021/ja1087562","","","0.71073","MoKα","","0.1828","0.0888","","","0.2401","0.2669","","","","","","1.001","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105527","13.7694","0.0006","14.0822","0.0008","21.339","0.0012","82.096","0.005","88.638","0.004","69.667","0.004","3841.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H78 F12 N10 O14 -","- C79.8315 H78 F12 N10 O14 -","- C159.663 H156 F24 N20 O28 -","2","1","","Lei Fang; Subhadeep Basu; Chi-Hau Sue; Albert C. Fahrenbach; J. Fraser Stoddart","Syntheses and Dynamics of Donor-Acceptor [2]Catenanes in Water","Journal of the American Chemical Society","2011","133","","396","399","10.1021/ja1087562","","","1.54178","CuKα","","0.1456","0.0908","","","0.2557","0.2926","","","","","","0.983","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105528","9.0489","0.0009","11.8543","0.0012","14.1652","0.0014","96.5484","0.0012","99.1573","0.0012","90.8419","0.0012","1489.5","0.3","143","2","143","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H43 N O4 Si -","- C32 H43 N O4 Si -","- C64 H86 N2 O8 Si2 -","2","2","","Christian C. Ventocilla; K. A. Woerpel","Silylene-Mediated Polarity Reversal of Dienoates: Additions of Dienoates to Aldehydes at the δ-Position To Form trans-Dioxasilacyclononenes","Journal of the American Chemical Society","2011","133","","406","408","10.1021/ja109631z","","","0.71073","MoKα","","0.0424","0.0391","","","0.1009","0.1037","","","","","","1.032","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105529","9.5046","0.0006","10.9462","0.0006","11.6723","0.0007","76.749","0.001","84.122","0.001","88.032","0.001","1175.76","0.12","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H38 O3 Si -","- C24 H38 O3 Si -","- C48 H76 O6 Si2 -","2","1","","Christian C. Ventocilla; K. A. Woerpel","Silylene-Mediated Polarity Reversal of Dienoates: Additions of Dienoates to Aldehydes at the δ-Position To Form trans-Dioxasilacyclononenes","Journal of the American Chemical Society","2011","133","","406","408","10.1021/ja109631z","","","0.71073","MoKα","","0.0379","0.034","","","0.0901","0.0931","","","","","","1.043","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105530","11.0642","0.0007","11.6068","0.0008","15.0911","0.0009","106.687","0.006","97.085","0.005","108.966","0.006","1704.7","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H42 B2 O4 -","- C38 H42 B2 O4 -","- C76 H84 B4 O8 -","2","1","","Yi Liu; Chunmei Deng; Li Tang; Anjun Qin; Rongrong Hu; Jing Zhi Sun; Ben Zhong Tang","Specific Detection of d-Glucose by a Tetraphenylethene-Based Fluorescent Sensor","Journal of the American Chemical Society","2011","133","","660","663","10.1021/ja107086y","","x-ray","1.5418","CuKα","","0.0827","0.0684","","","0.183","0.1952","","","","","","1.027","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105531","31.117","0.003","51.828","0.003","48.797","0.003","90","","99.95","0.002","90","","77513","10","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C588 H509 B32 F128 N150 O11 Zn16 -","- C588 H498 B28 F118 N150 O11 Zn16 -","- C2352 H1992 B112 F472 N600 O44 Zn64 -","4","0.5","","Andrew Stephenson; Stephen P. Argent; Thomas Riis-Johannessen; Ian S. Tidmarsh; Michael D. Ward","Structures and Dynamic Behavior of Large Polyhedral Coordination Cages: An Unusual Cage-to-Cage Interconversion","Journal of the American Chemical Society","2011","133","","858","870","10.1021/ja107403p","","","1.54178","CuKα","","0.2594","0.1882","","","0.4695","0.5014","","","","","","1.358","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105532","31.7261","0.0011","56.9758","0.0017","29.7638","0.0009","90","","90","","90","","53802","3","150","2","150","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C216 H180 B12 Cu6 F48 N54 -","- C216 H180 B6 Cu6 F24 N54 -","- C1728 H1440 B48 Cu48 F192 N432 -","8","1","","Andrew Stephenson; Stephen P. Argent; Thomas Riis-Johannessen; Ian S. Tidmarsh; Michael D. Ward","Structures and Dynamic Behavior of Large Polyhedral Coordination Cages: An Unusual Cage-to-Cage Interconversion","Journal of the American Chemical Society","2011","133","","858","870","10.1021/ja107403p","","","0.71073","MoKα","","0.2267","0.1068","","","0.2721","0.3227","","","","","","0.91","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105533","26.0607","0.0003","26.0607","0.0003","98.7782","0.0014","90","","90","","120","","58098.4","1.3","120","2","120","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C306 H294 B12 F60 N90 Ni8 O36 Si2 -","- C306 H294 B9 F44.04 N90 Ni8 O36 Si2.01 -","- C1836 H1764 B54 F264.24 N540 Ni48 O216 Si12.06 -","6","0.166667","","Andrew Stephenson; Stephen P. Argent; Thomas Riis-Johannessen; Ian S. Tidmarsh; Michael D. Ward","Structures and Dynamic Behavior of Large Polyhedral Coordination Cages: An Unusual Cage-to-Cage Interconversion","Journal of the American Chemical Society","2011","133","","858","870","10.1021/ja107403p","","","0.71073","MoKα","","0.1462","0.1294","","","0.396","0.4101","","","","","","1.736","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105534","16.8292","0.0003","11.1616","0.0002","18.6043","0.0003","90","","101.781","0.0011","90","","3421.03","0.1","100","2","100","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C35 H30 Cl4 N2 O2 P2 Pt -","- C35 H30 Cl4 N2 O2 P2 Pt -","- C140 H120 Cl16 N8 O8 P8 Pt4 -","4","1","","Urs Gellrich; Jing Huang; Wolfgang Seiche; Manfred Keller; Markus Meuwly; Bernhard Breit","Ligand Self-Assembling through Complementary Hydrogen-Bonding in the Coordination Sphere of a Transition Metal Center: The 6-Diphenylphosphanylpyridin-2(1H)-one System","Journal of the American Chemical Society","2011","133","","964","975","10.1021/ja108639e","","","0.71073","MoKα","","0.025","0.0205","","","0.0478","0.0496","","","","","","1.059","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105535","8.4262","0.0004","9.0456","0.0004","10.2473","0.0006","70.43","0.002","75.028","0.003","79.883","0.003","707.53","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 N O P -","- C17 H14 N O P -","- C34 H28 N2 O2 P2 -","2","1","","Urs Gellrich; Jing Huang; Wolfgang Seiche; Manfred Keller; Markus Meuwly; Bernhard Breit","Ligand Self-Assembling through Complementary Hydrogen-Bonding in the Coordination Sphere of a Transition Metal Center: The 6-Diphenylphosphanylpyridin-2(1H)-one System","Journal of the American Chemical Society","2011","133","","964","975","10.1021/ja108639e","","","0.71073","MoKα","","0.0541","0.038","","","0.0896","0.0963","","","","","","1.031","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105536","18.398","0.0016","14.4711","0.0013","23.748","0.002","90","","107.307","0.001","90","","6036.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-(di(hexafluoroacetylacetonate)-zinc(II)- di(hexafluoroacetylacetonate)-lead(II))","","- C20 H4 F24 O8 Pb Zn -","- C20 H4 F24 O8 Pb Zn -","- C160 H32 F192 O64 Pb8 Zn8 -","8","2","","Anantharamulu Navulla; Alexander A. Tsirlin; Artem M. Abakumov; Roman V. Shpanchenko; Haitao Zhang; Evgeny V. Dikarev","Fluorinated Heterometallic β-Diketonates as Volatile Single-Source Precursors for the Synthesis of Low-Valent Mixed-Metal Fluorides","Journal of the American Chemical Society","2011","133","","692","694","10.1021/ja109128r","","","0.71073","MoKα","","0.0635","0.0433","","","0.1092","0.1222","","","","","","1.028","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105537","18.4611","0.0016","12.6354","0.0011","13.6823","0.0011","90","","97.755","0.001","90","","3162.4","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-(di(hexafluoroacetylacetonate)-nickel(II)- di(hexafluoroacetylacetonate)-lead(II))","","- C20 H4 F24 Ni O8 Pb -","- C20 H4 F24 Ni O8 Pb -","- C80 H16 F96 Ni4 O32 Pb4 -","4","0.5","","Anantharamulu Navulla; Alexander A. Tsirlin; Artem M. Abakumov; Roman V. Shpanchenko; Haitao Zhang; Evgeny V. Dikarev","Fluorinated Heterometallic β-Diketonates as Volatile Single-Source Precursors for the Synthesis of Low-Valent Mixed-Metal Fluorides","Journal of the American Chemical Society","2011","133","","692","694","10.1021/ja109128r","","","0.71073","MoKα","","0.0625","0.0538","","","0.1433","0.1516","","","","","","1.045","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105538","11.443","0.002","22.897","0.005","12.674","0.003","90","","109.2","0.03","90","","3136","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-(di(hexafluoroacetylacetonate)-cobalt(II)- di(hexafluoroacetylacetonate)-lead(II))","","- C20 H4 Co F24 O8 Pb -","- C20 H4 Co F24 O8 Pb -","- C80 H16 Co4 F96 O32 Pb4 -","4","0.5","","Anantharamulu Navulla; Alexander A. Tsirlin; Artem M. Abakumov; Roman V. Shpanchenko; Haitao Zhang; Evgeny V. Dikarev","Fluorinated Heterometallic β-Diketonates as Volatile Single-Source Precursors for the Synthesis of Low-Valent Mixed-Metal Fluorides","Journal of the American Chemical Society","2011","133","","692","694","10.1021/ja109128r","","","0.71073","MoKα","","0.0601","0.0597","","","0.1562","0.1564","","","","","","1.204","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105539","11.4406","0.0006","12.3702","0.0007","13.582","0.0008","65.896","0.001","66.64","0.001","64.316","0.001","1523.87","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","catena-(di(hexafluoroacetylacetonate)-iron(II)- di(hexafluoroacetylacetonate)-lead(II))","","- C20 H4 F24 Fe O8 Pb -","- C20 H4 F24 Fe O8 Pb -","- C40 H8 F48 Fe2 O16 Pb2 -","2","1","","Anantharamulu Navulla; Alexander A. Tsirlin; Artem M. Abakumov; Roman V. Shpanchenko; Haitao Zhang; Evgeny V. Dikarev","Fluorinated Heterometallic β-Diketonates as Volatile Single-Source Precursors for the Synthesis of Low-Valent Mixed-Metal Fluorides","Journal of the American Chemical Society","2011","133","","692","694","10.1021/ja109128r","","","0.71073","MoKα","","0.0418","0.0384","","","0.0964","0.0991","","","","","","1.03","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105540","4.999","0.0012","9.208","0.003","16.145","0.004","90","","90","","90","","743.2","0.4","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 F N2 O3 -","- C5 H9 F N2 O3 -","- C20 H36 F4 N8 O12 -","4","1","","Wenchao Qu; Zhihao Zha; Karl Ploessl; Brian P. Lieberman; Lin Zhu; David R. Wise; Craig B. Thompson; Hank F. Kung","Synthesis of Optically Pure 4-Fluoro-Glutamines as Potential Metabolic Imaging Agents for Tumors","Journal of the American Chemical Society","2011","133","","1122","1133","10.1021/ja109203d","","","0.71073","MoKα","","0.0297","0.0288","","","0.0719","0.0728","","","","","","1.092","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105541","4.9856","0.0008","9.1624","0.0013","16.117","0.002","90","","90","","90","","736.23","0.18","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 F N2 O3 -","- C5 H9 F N2 O3 -","- C20 H36 F4 N8 O12 -","4","1","","Wenchao Qu; Zhihao Zha; Karl Ploessl; Brian P. Lieberman; Lin Zhu; David R. Wise; Craig B. Thompson; Hank F. Kung","Synthesis of Optically Pure 4-Fluoro-Glutamines as Potential Metabolic Imaging Agents for Tumors","Journal of the American Chemical Society","2011","133","","1122","1133","10.1021/ja109203d","","","0.71073","MoKα","","0.026","0.0233","","","0.0562","0.0577","","","","","","1.08","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105542","5.8761","0.0005","12.7456","0.0012","19.2364","0.0018","105.615","0.006","90.264","0.006","93.624","0.006","1384.4","0.2","143","1","143","1","","","","","","","","5","P 1","P 1","1","","","","- C24 H39 F N2 O9 -","- C24 H39 F N2 O9 -","- C48 H78 F2 N4 O18 -","2","2","","Wenchao Qu; Zhihao Zha; Karl Ploessl; Brian P. Lieberman; Lin Zhu; David R. Wise; Craig B. Thompson; Hank F. Kung","Synthesis of Optically Pure 4-Fluoro-Glutamines as Potential Metabolic Imaging Agents for Tumors","Journal of the American Chemical Society","2011","133","","1122","1133","10.1021/ja109203d","","","0.71073","MoKα","","0.0504","0.044","","","0.1118","0.1161","","","","","","1.032","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105543","5.8599","0.0004","12.7267","0.0009","19.2131","0.0012","105.576","0.004","90.305","0.004","93.135","0.004","1377.87","0.16","93","1","93","1","","","","","","","","5","P 1","P 1","1","","","","- C24 H39 F N2 O9 -","- C24 H39 F N2 O9 -","- C48 H78 F2 N4 O18 -","2","2","","Wenchao Qu; Zhihao Zha; Karl Ploessl; Brian P. Lieberman; Lin Zhu; David R. Wise; Craig B. Thompson; Hank F. Kung","Synthesis of Optically Pure 4-Fluoro-Glutamines as Potential Metabolic Imaging Agents for Tumors","Journal of the American Chemical Society","2011","133","","1122","1133","10.1021/ja109203d","","","0.71073","MoKα","","0.0488","0.0446","","","0.1157","0.1196","","","","","","1.065","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105544","13.935","0.006","14.557","0.006","17.158","0.009","83.02","0.02","80.76","0.02","63.387","0.014","3067","2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","7","","","- C72 H59 B F15 Hf N3 -","- C72 H59 B F15 Hf N3 -","- C144 H118 B2 F30 Hf2 N6 -","2","1","","Hayato Tsurugi; Koji Yamamoto; Kazushi Mashima","Oxidant-Free Direct Coupling of Internal Alkynes and 2-Alkylpyridine via Double C-H Activations by Alkylhafnium Complexes","Journal of the American Chemical Society","2011","133","","732","735","10.1021/ja1100118","","","0.71075","MoKα","","0.1249","0.0692","","","0.1559","0.2215","","","","","","1.06","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105545","11.116","0.004","26.089","0.009","11.661","0.004","90","","96.79","0.005","90","","3358","2","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2","","","- C41 H44 Hf N2 -","- C41 H44 Hf N2 -","- C164 H176 Hf4 N8 -","4","1","","Hayato Tsurugi; Koji Yamamoto; Kazushi Mashima","Oxidant-Free Direct Coupling of Internal Alkynes and 2-Alkylpyridine via Double C-H Activations by Alkylhafnium Complexes","Journal of the American Chemical Society","2011","133","","732","735","10.1021/ja1100118","","","0.71075","MoKα","","0.1349","0.078","","","0.1752","0.2183","","","","","","1.043","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105546","11.146","0.007","13.285","0.006","19.22","0.011","69.96","0.02","88.4","0.03","69.84","0.02","2497","2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","5","","","- C58 H67 Hf N3 -","- C58 H67 Hf N3 -","- C116 H134 Hf2 N6 -","2","1","","Hayato Tsurugi; Koji Yamamoto; Kazushi Mashima","Oxidant-Free Direct Coupling of Internal Alkynes and 2-Alkylpyridine via Double C-H Activations by Alkylhafnium Complexes","Journal of the American Chemical Society","2011","133","","732","735","10.1021/ja1100118","","","0.71075","MoKα","","0.0491","0.043","","","0.1143","0.1266","","","","","","1.118","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105547","15.052","0.005","15.792","0.005","16.173","0.006","90","","97.127","0.003","90","","3815","2","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6","","","- C46 H49 Hf N3 -","- C46 H49 Hf N3 -","- C184 H196 Hf4 N12 -","4","1","","Hayato Tsurugi; Koji Yamamoto; Kazushi Mashima","Oxidant-Free Direct Coupling of Internal Alkynes and 2-Alkylpyridine via Double C-H Activations by Alkylhafnium Complexes","Journal of the American Chemical Society","2011","133","","732","735","10.1021/ja1100118","","","0.71075","MoKα","","0.0434","0.0358","","","0.0816","0.0853","","","","","","1.12","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105548","42.153","0.001","42.153","0.001","42.153","0.001","90","","90","","90","","74901","3","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C33 H15 Cu3 N3 O18 -","- C33 H15 Cu3 N3 O18 -","- C1056 H480 Cu96 N96 O576 -","32","0.166667","","Baishu Zheng; Junfeng Bai; Jingui Duan; Lukasz Wojtas; Michael J. Zaworotko","Enhanced CO2 Binding Affinity of a High-Uptakerht-Type Metal-Organic Framework Decorated with Acylamide Groups","Journal of the American Chemical Society","2011","133","","748","751","10.1021/ja110042b","","","0.71073","MoKα","","0.0767","0.0553","","","0.151","0.1635","","","","","","1.108","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105549","42.3067","0.0007","42.3067","0.0007","42.3067","0.0007","90","","90","","90","","75723","2","298","2","298","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C34.5 H15 Co3 N3.75 O25.07 -","- C34.5 H15 Co3 N3.75 O25.135 -","- C1104 H480 Co96 N120 O804.32 -","32","0.333333","","Baishu Zheng; Junfeng Bai; Jingui Duan; Lukasz Wojtas; Michael J. Zaworotko","Enhanced CO2 Binding Affinity of a High-Uptakerht-Type Metal-Organic Framework Decorated with Acylamide Groups","Journal of the American Chemical Society","2011","133","","748","751","10.1021/ja110042b","","","0.71073","MoKα","","0.1657","0.0818","","","0.2115","0.2613","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105550","17.515","0.003","28.008","0.004","29.362","0.004","90","","90","","90","","14404","4","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C89 H86 Cl2 N2 Ni O5 -","- C89 H86 Cl2 N2 Ni O5 -","- C712 H688 Cl16 N16 Ni8 O40 -","8","0.5","","Carl A. Laskowski; Alexander J. M. Miller; Gregory L. Hillhouse; Thomas R. Cundari","A Two-Coordinate Nickel Imido Complex That Effects C-H Amination","Journal of the American Chemical Society","2011","133","","771","773","10.1021/ja1101213","","","0.71073","MoKα","","0.0947","0.0718","","","0.1725","0.1832","","","","","","0.982","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105551","13.3746","0.001","24.1618","0.0018","23.9714","0.0018","90","","103.287","0.002","90","","7539.1","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C97 H91 N3 Ni O -","- C97 H91 N3 Ni O -","- C388 H364 N12 Ni4 O4 -","4","1","","Carl A. Laskowski; Alexander J. M. Miller; Gregory L. Hillhouse; Thomas R. Cundari","A Two-Coordinate Nickel Imido Complex That Effects C-H Amination","Journal of the American Chemical Society","2011","133","","771","773","10.1021/ja1101213","","","0.71073","MoKα","","0.108","0.0553","","","0.0843","0.091","","","","","","0.925","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105552","10.975","0.0006","16.026","0.0009","19.376","0.0011","79.074","0.001","85.095","0.001","89.287","0.001","3333.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C87 H80 N2 Ni -","- C87 H80 N2 Ni -","- C174 H160 N4 Ni2 -","2","1","","Carl A. Laskowski; Alexander J. M. Miller; Gregory L. Hillhouse; Thomas R. Cundari","A Two-Coordinate Nickel Imido Complex That Effects C-H Amination","Journal of the American Chemical Society","2011","133","","771","773","10.1021/ja1101213","","","0.71073","MoKα","","0.041","0.036","","","0.0967","0.0988","","","","","","1.097","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105553","8.6114","0.0004","14.2075","0.0006","12.6871","0.0006","90","","104.609","0.003","90","","1502.04","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","2","","Sergiy Levin; Roger R. Nani; Sarah E. Reisman","Enantioselective Total Synthesis of (+)-Salvileucalin B","Journal of the American Chemical Society","2011","133","","774","776","10.1021/ja110192b","","","0.71073","MoKα","","0.0565","0.0443","","","0.0518","0.0539","","","","","","1.675","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105554","7.3019","0.0006","9.615","0.009","13.028","0.002","75.958","0.005","75.473","0.005","80.71","0.006","854","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C40 H36 N4 O10 -","2","1","","Jason R. Zbieg; Emma L. McInturff; Joyce C. Leung; Michael J. Krische","Amplification of Anti-Diastereoselectivity via Curtin-Hammett Effects in Ruthenium-Catalyzed Hydrohydroxyalkylation of 1,1-Disubstituted Allenes: Diastereoselective Formation of All-Carbon Quaternary Centers","Journal of the American Chemical Society","2011","133","","1141","1144","10.1021/ja1104156","","","1.5418","CuKα","","0.1241","0.0688","","","0.1592","0.2202","","","","","","1.198","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105555","17.91","0.004","13.236","0.003","23.515","0.005","90","","90","","90","","5574","2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","compound 6","","","- C57 H66 N2 O9 Sn W -","- C57 H66 N2 O9 Sn W -","- C228 H264 N8 O36 Sn4 W4 -","4","1","","S. M. Ibrahim Al-Rafia; Adam C. Malcolm; Sean K. Liew; Michael J. Ferguson; Eric Rivard","Stabilization of the Heavy Methylene Analogues, GeH2 and SnH2, within the Coordination Sphere of a Transition Metal","Journal of the American Chemical Society","2011","133","","777","779","10.1021/ja1106223","","","0.71073","MoKα","","0.0258","0.0227","","","0.0506","0.0515","","","","","","1.118","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105556","14.33","0.006","19.457","0.008","26.718","0.01","90","","90","","90","","7449","5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","compound 3","","","- C33.5 H41.5 N2 O5 Sn W -","- C33.5 H41.5 N2 O5 Sn W -","- C268 H332 N16 O40 Sn8 W8 -","8","1","","S. M. Ibrahim Al-Rafia; Adam C. Malcolm; Sean K. Liew; Michael J. Ferguson; Eric Rivard","Stabilization of the Heavy Methylene Analogues, GeH2 and SnH2, within the Coordination Sphere of a Transition Metal","Journal of the American Chemical Society","2011","133","","777","779","10.1021/ja1106223","","","0.71073","MoKα","","0.0489","0.0446","","","0.1565","0.16","","","","","","1.173","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105557","14.6626","0.0005","19.5017","0.0006","26.3383","0.0008","90","","90","","90","","7531.3","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","compound 5","","","- C36 H46 Ge N2 O6 W -","- C36 H46 Ge N2 O6 W -","- C288 H368 Ge8 N16 O48 W8 -","8","1","","S. M. Ibrahim Al-Rafia; Adam C. Malcolm; Sean K. Liew; Michael J. Ferguson; Eric Rivard","Stabilization of the Heavy Methylene Analogues, GeH2 and SnH2, within the Coordination Sphere of a Transition Metal","Journal of the American Chemical Society","2011","133","","777","779","10.1021/ja1106223","","","0.71073","MoKα","","0.0224","0.0175","","","0.0447","0.0474","","","","","","1.037","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105558","26.4514","0.0019","9.6762","0.0007","19.9287","0.0014","90","","95.38","0.001","90","","5078.3","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 B Cl2 F7 O3 S -","- C22 H26 B Cl2 F7 O3 S -","- C176 H208 B8 Cl16 F56 O24 S8 -","8","2","","Yandong Zhang; Jun Hee Lee; Samuel J. Danishefsky","Antarafacial Mediation of Oxygen Delivery by a Phenylsulfinyl Group in the Epoxidation of Proximal Double Bonds: Intramolecular Trapping of an Early Pummerer Intermediate with Stereoelectronic Control","Journal of the American Chemical Society","2011","133","","752","755","10.1021/ja1107707","","","0.71073","MoKα","","0.1353","0.0675","","","0.1711","0.2096","","","","","","1.034","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105559","16.716","0.015","8.052","0.007","18.649","0.016","90","","104.928","0.012","90","","2425","4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 B Cl2 F7 O3 S -","- C21 H24 B Cl2 F7 O3 S -","- C84 H96 B4 Cl8 F28 O12 S4 -","4","1","","Yandong Zhang; Jun Hee Lee; Samuel J. Danishefsky","Antarafacial Mediation of Oxygen Delivery by a Phenylsulfinyl Group in the Epoxidation of Proximal Double Bonds: Intramolecular Trapping of an Early Pummerer Intermediate with Stereoelectronic Control","Journal of the American Chemical Society","2011","133","","752","755","10.1021/ja1107707","","","0.71073","MoKα","","0.3357","0.1431","","","0.2854","0.3614","","","","","","1.102","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105560","13.182","0.003","19.464","0.005","14.135","0.004","90","","91.468","0.004","90","","3625.5","1.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 O2 S -","- C21 H26 O2 S -","- C168 H208 O16 S8 -","8","2","","Yandong Zhang; Jun Hee Lee; Samuel J. Danishefsky","Antarafacial Mediation of Oxygen Delivery by a Phenylsulfinyl Group in the Epoxidation of Proximal Double Bonds: Intramolecular Trapping of an Early Pummerer Intermediate with Stereoelectronic Control","Journal of the American Chemical Society","2011","133","","752","755","10.1021/ja1107707","","","0.71073","MoKα","","0.0906","0.0477","","","0.1004","0.1183","","","","","","1.014","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105561","5.9163","0.0011","11.863","0.002","26.721","0.005","90","","90","","90","","1875.4","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O2 S -","- C21 H28 O2 S -","- C84 H112 O8 S4 -","4","1","","Yandong Zhang; Jun Hee Lee; Samuel J. Danishefsky","Antarafacial Mediation of Oxygen Delivery by a Phenylsulfinyl Group in the Epoxidation of Proximal Double Bonds: Intramolecular Trapping of an Early Pummerer Intermediate with Stereoelectronic Control","Journal of the American Chemical Society","2011","133","","752","755","10.1021/ja1107707","","","0.71073","MoKα","","0.0701","0.0454","","","0.0873","0.0966","","","","","","1.017","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105562","8.6394","0.0002","11.5514","0.0002","14.9011","0.0003","76.524","0.001","79.205","0.001","85.115","0.001","1419.21","0.05","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H38 F6 Fe2 N2 P S2 -","- C22 H38 F6 Fe2 N2 P S2 -","- C44 H76 F12 Fe4 N4 P2 S4 -","2","1","","Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu","Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes","Journal of the American Chemical Society","2011","133","","1147","1149","10.1021/ja105948r","","","0.71073","MoKα","","0.0464","0.0378","","","0.1073","0.1123","","","","","","1.041","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105563","18.55","0.0012","10.6374","0.0006","16.4567","0.0009","90","","112.265","0.004","90","","3005.2","0.3","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 F6 Fe2 N2 P S2 -","- C24 H42 F6 Fe2 N2 P S2 -","- C96 H168 F24 Fe8 N8 P4 S8 -","4","1","","Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu","Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes","Journal of the American Chemical Society","2011","133","","1147","1149","10.1021/ja105948r","","","0.71073","MoKα","","0.0662","0.0485","","","0.1351","0.1448","","","","","","1.083","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105564","18.427","0.004","10.218","0.002","13.047","0.003","90","","90","","90","","2456.6","0.9","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H38 Fe2 N2 S2 -","- C22 H38 Fe2 N2 S2 -","- C88 H152 Fe8 N8 S8 -","4","0.5","","Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu","Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes","Journal of the American Chemical Society","2011","133","","1147","1149","10.1021/ja105948r","","","0.71073","MoKα","","0.0925","0.052","","","0.0992","0.1087","","","","","","1.025","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105565","10.422","0.004","17.643","0.006","17.751","0.006","90","","90.305","0.007","90","","3264","2","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 F6 Fe2 N0 P S2 -","- C30 H42 F6 Fe2 P S2 -","- C120 H168 F24 Fe8 P4 S8 -","4","1","","Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu","Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes","Journal of the American Chemical Society","2011","133","","1147","1149","10.1021/ja105948r","","","0.71073","MoKα","","0.0819","0.056","","","0.1003","0.1063","","","","","","0.902","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105566","35.483","0.014","10.195","0.004","21.444","0.009","90","","120.299","0.005","90","","6698","5","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H46 F6 Fe2 P S2 -","- C32 H46 F6 Fe2 P S2 -","- C256 H368 F48 Fe16 P8 S16 -","8","1","","Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu","Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes","Journal of the American Chemical Society","2011","133","","1147","1149","10.1021/ja105948r","","","0.71073","MoKα","","0.0685","0.047","","","0.1276","0.1366","","","","","","1.072","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105567","13.948","0.0009","14.6111","0.0011","15.6505","0.0013","90","","110.934","0.004","90","","2979","0.4","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H41 F6 Fe2 N0 P S2 -","- C26 H41 F6 Fe2 P S2 -","- C104 H164 F24 Fe8 P4 S8 -","4","1","","Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu","Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes","Journal of the American Chemical Society","2011","133","","1147","1149","10.1021/ja105948r","","","0.71073","MoKα","","0.111","0.0609","","","0.1551","0.1749","","","","","","0.999","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105568","14.4552","0.0002","8.5295","0.0005","15.6713","0.0004","90","","90","","90","","1932.2","0.13","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","gloria03","gloria03","","- C12 H25 F3 Fe N5 O4 S2 -","- C12 H25 F3 Fe N5 O4 S2 -","- C48 H100 F12 Fe4 N20 O16 S8 -","4","0.5","","Gloria Villar-Acevedo; Elaine Nam; Sarah Fitch; Jason Benedict; John Freudenthal; Werner Kaminsky; Julie A. Kovacs","Influence of Thiolate Ligands on Reductive N-O Bond Activation. Probing the O2-Binding Site of a Biomimetic Superoxide Reductase Analogue and Examining the Proton-Dependent Reduction of Nitrite","Journal of the American Chemical Society","2011","133","","1419","1427","10.1021/ja107551u","","","0.71073","MoKα","","0.0822","0.0514","","","0.1268","0.1413","","","","","","1.025","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105569","13.626","0.0005","8.579","0.0009","15.887","0.001","90","","90","","90","","1857.1","0.2","130","2","130","2","","","","","","","","8","P n m a","-P 2ac 2n","62","575nm","575nm","","- C11 H25 F6 Fe N5 O2 P S -","- C11 H25 F6 Fe N5 O2 P S -","- C44 H100 F24 Fe4 N20 O8 P4 S4 -","4","0.5","","Gloria Villar-Acevedo; Elaine Nam; Sarah Fitch; Jason Benedict; John Freudenthal; Werner Kaminsky; Julie A. Kovacs","Influence of Thiolate Ligands on Reductive N-O Bond Activation. Probing the O2-Binding Site of a Biomimetic Superoxide Reductase Analogue and Examining the Proton-Dependent Reduction of Nitrite","Journal of the American Chemical Society","2011","133","","1419","1427","10.1021/ja107551u","","","0.71073","MoKα","","0.2284","0.0707","","","0.1326","0.1865","","","","","","1.018","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105570","8.7685","0.0009","14.598","0.0016","38.368","0.004","90","","90","","90","","4911.2","0.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H81 N O15 -","- C42 H81 N O15 -","- C168 H324 N4 O60 -","4","1","","Jian Tian; Scott J. Dalgarno; Jerry L. Atwood","A New Strategy of Transforming Pharmaceutical Crystal Forms","Journal of the American Chemical Society","2011","133","","1399","1404","10.1021/ja107617m","","","0.71073","MoKα","","0.0799","0.0573","","","0.1381","0.1501","","","","","","1.042","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105571","11.458","0.0004","15.084","0.0003","18.391","0.0006","90","","90","","90","","3178.56","0.16","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H13 O P S -","- C20 H13 O P S -","- C160 H104 O8 P8 S8 -","8","1","","Yi Ren; Thomas Baumgartner","Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System","Journal of the American Chemical Society","2011","133","","1328","1340","10.1021/ja108081b","","","0.71073","MoKα","","0.0703","0.0525","","","0.1462","0.1604","","","","","","1.201","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105572","8.474","0.0003","11.042","0.0003","12.124","0.0004","107.154","0.002","93.401","0.002","104.965","0.002","1035.87","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 F3 O3 P S2 -","- C22 H16 F3 O3 P S2 -","- C44 H32 F6 O6 P2 S4 -","2","1","","Yi Ren; Thomas Baumgartner","Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System","Journal of the American Chemical Society","2011","133","","1328","1340","10.1021/ja108081b","","","0.71073","MoKα","","0.0473","0.0414","","","0.1028","0.1101","","","","","","1.073","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105573","8.36","0.0006","9.691","0.0005","11.085","0.0008","67.738","0.004","83.274","0.003","75.59","0.004","804.72","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 O2 P S -","- C20 H13 O2 P S -","- C40 H26 O4 P2 S2 -","2","1","","Yi Ren; Thomas Baumgartner","Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System","Journal of the American Chemical Society","2011","133","","1328","1340","10.1021/ja108081b","","","0.71073","MoKα","","0.0584","0.047","","","0.1225","0.1417","","","","","","1.139","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105574","7.91","0.0003","11.238","0.0003","15.195","0.0005","91.953","0.002","97.815","0.002","102.315","0.002","1304.61","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 F3 O6 P S2 -","- C25 H22 F3 O6 P S2 -","- C50 H44 F6 O12 P2 S4 -","2","1","","Yi Ren; Thomas Baumgartner","Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System","Journal of the American Chemical Society","2011","133","","1328","1340","10.1021/ja108081b","","","0.71073","MoKα","","0.0575","0.0451","","","0.117","0.1377","","","","","","1.12","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105575","7.599","0.0001","11.92","0.0002","23.585","0.0004","90","","90","","90","","2136.33","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 O2 P S -","- C26 H23 O2 P S -","- C104 H92 O8 P4 S4 -","4","1","","Yi Ren; Thomas Baumgartner","Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System","Journal of the American Chemical Society","2011","133","","1328","1340","10.1021/ja108081b","","","0.71073","MoKα","","0.0451","0.0421","","","0.1166","0.12","","","","","","1.153","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105576","10.005","0.0003","23.945","0.0012","9.833","0.0004","90","","108.515","0.002","90","","2233.76","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H12 F5 O2 P S -","- C27 H12 F5 O2 P S -","- C108 H48 F20 O8 P4 S4 -","4","1","","Yi Ren; Thomas Baumgartner","Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System","Journal of the American Chemical Society","2011","133","","1328","1340","10.1021/ja108081b","","","0.71073","MoKα","","0.1315","0.0928","","","0.164","0.1847","","","","","","1.203","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105577","6.5874","0.0003","21.8493","0.0009","15.5021","0.0007","90","","91.324","0.004","90","","2230.62","0.17","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Cl N O3 S -","- C25 H28 Cl N O3 S -","- C100 H112 Cl4 N4 O12 S4 -","4","1","","Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu","Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones","Journal of the American Chemical Society","2011","133","","1466","1474","10.1021/ja108450m","","","0.71073","MoKα","","0.0708","0.0391","","","0.0752","0.0791","","","","","","1.005","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105578","11.0057","0.0002","15.2127","0.0003","24.8627","0.0003","90","","98.133","0.001","90","","4120.81","0.12","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 F6 O8 Pd2 S2 -","- C40 H46 F6 O8 Pd2 S2 -","- C160 H184 F24 O32 Pd8 S8 -","4","1","","Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu","Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones","Journal of the American Chemical Society","2011","133","","1466","1474","10.1021/ja108450m","","","1.54184","CuKα","","0.0553","0.0354","","","0.0537","0.0559","","","","","","1.031","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105579","9.8001","0.0003","17.2851","0.0008","19.9404","0.0005","90","","90","","90","","3377.8","0.2","291","2","291","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Cl3 F3 N O6 Pd S2 -","- C28 H33 Cl3 F3 N O6 Pd S2 -","- C112 H132 Cl12 F12 N4 O24 Pd4 S8 -","4","1","","Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu","Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones","Journal of the American Chemical Society","2011","133","","1466","1474","10.1021/ja108450m","","","1.54184","CuKα","","0.0651","0.05","","","0.1176","0.1225","","","","","","1.017","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105580","12.095","0.005","12.781","0.005","15.3","0.005","71.594","0.005","86.857","0.005","78.665","0.005","2200.3","1.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 F6 O6 Pd2 -","- C42 H46 F6 O6 Pd2 -","- C84 H92 F12 O12 Pd4 -","2","1","","Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu","Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones","Journal of the American Chemical Society","2011","133","","1466","1474","10.1021/ja108450m","","","1.54184","CuKα","","0.12","0.0632","","","0.1458","0.1563","","","","","","1.015","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105581","11.0983","0.0006","13.4473","0.0008","15.9684","0.0006","96.267","0.004","99.984","0.004","98.252","0.005","2300.7","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H86 Cl8 F6 N8 O22 Pd2 S10 -","- C66 H86 Cl8 F6 N8 O22 Pd2 S10 -","- C66 H86 Cl8 F6 N8 O22 Pd2 S10 -","1","0.5","","Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu","Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones","Journal of the American Chemical Society","2011","133","","1466","1474","10.1021/ja108450m","","","0.71073","MoKα","","0.1377","0.1054","","","0.3295","0.3411","","","","","","1.091","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105582","10.7141","0.0006","24.593","0.002","30.357","0.002","90","","96.391","0.006","90","","7949.1","0.9","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cl N2 O5 S2 -","- C26 H25 Cl N2 O5 S2 -","- C312 H300 Cl12 N24 O60 S24 -","12","3","","Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu","Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones","Journal of the American Chemical Society","2011","133","","1466","1474","10.1021/ja108450m","","","1.54184","CuKα","","0.1288","0.0729","","","0.159","0.1972","","","","","","1.026","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105583","6.0541","0.0002","14.8692","0.0005","33.1481","0.0008","90","","90","","90","","2983.98","0.16","173","2","173","2","","","","","","","C. S. Lee / Prof. C. Forsyth","4","P 21 21 21","P 2ac 2ab","19","97051a","","","- C23 H39 N O7 -","- C23 H39 N O7 -","- C92 H156 N4 O28 -","4","1","","Bo Wang; T. Matthew Hansen; Ting Wang; Dimao Wu; Lynn Weyer; Lu Ying; Mary M. Engler; Melissa Sanville; Christopher Leitheiser; Mathias Christmann; Yingtao Lu; Jiehao Chen; Nicholas Zunker; Russell D. Cink; Feryan Ahmed; Chi-Sing Lee; Craig J. Forsyth","Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Strategy and Component Assembly","Journal of the American Chemical Society","2011","133","","1484","1505","10.1021/ja108906e","","","0.71073","MoKα","","0.0896","0.0578","","0.1417","0.133","","","","0.974","1.196","1.196","","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105584","9.1219","0.001","9.797","0.0011","14.6276","0.0016","90","","98.977","0.002","90","","1291.2","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","02139","","","- C25 H37 N O7 -","- C25 H37 N O7 -","- C50 H74 N2 O14 -","2","1","","Bo Wang; T. Matthew Hansen; Ting Wang; Dimao Wu; Lynn Weyer; Lu Ying; Mary M. Engler; Melissa Sanville; Christopher Leitheiser; Mathias Christmann; Yingtao Lu; Jiehao Chen; Nicholas Zunker; Russell D. Cink; Feryan Ahmed; Chi-Sing Lee; Craig J. Forsyth","Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Strategy and Component Assembly","Journal of the American Chemical Society","2011","133","","1484","1505","10.1021/ja108906e","","","0.71073","MoKα","","0.0309","0.0295","","","0.0716","0.0723","","","","","","1.049","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105585","15.3315","0.0009","8.2072","0.0005","17.2595","0.0011","90","","99.414","0.001","90","","2142.5","0.2","173","2","173","2","","","","","","","R. Cink / Prof. C. Forsyth","4","P 1 21 1","P 2yb","4","96202","","","- C41 H62 O8 Si2 -","- C41 H62 O8 Si2 -","- C82 H124 O16 Si4 -","2","1","","Bo Wang; T. Matthew Hansen; Ting Wang; Dimao Wu; Lynn Weyer; Lu Ying; Mary M. Engler; Melissa Sanville; Christopher Leitheiser; Mathias Christmann; Yingtao Lu; Jiehao Chen; Nicholas Zunker; Russell D. Cink; Feryan Ahmed; Chi-Sing Lee; Craig J. Forsyth","Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Strategy and Component Assembly","Journal of the American Chemical Society","2011","133","","1484","1505","10.1021/ja108906e","","","0.71073","MoKα","","0.2103","0.094","","0.1952","0.1477","","","","0.953","1.171","1.171","","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105586","21.3411","0.0002","21.3411","0.0002","27.0738","0.0003","90","","90","","90","","12330.6","0.2","173","2","173","2","","","","","","","R. Cink / Prof. C. Forsyth","5","I 4","I 4","79","97329b","","","- C55 H74 N2 O10 Si -","- C55 H74 N2 O10 Si -","- C440 H592 N16 O80 Si8 -","8","1","","Bo Wang; T. Matthew Hansen; Lynn Weyer; Dimao Wu; Ting Wang; Mathias Christmann; Yingtao Lu; Lu Ying; Mary M. Engler; Russell D. Cink; Chi-Sing Lee; Feryan Ahmed; Craig J. Forsyth","Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Convergent Total Synthesis","Journal of the American Chemical Society","2011","133","","1506","1516","10.1021/ja1089099","","","0.71073","MoKα","","0.1186","0.0712","","0.1939","0.1711","","","","1.008","1.21","1.21","","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105587","8.6927","0.0005","14.146","0.0007","11.0283","0.0006","90","","101.858","0.006","90","","1327.18","0.13","100","2","100","2","","","","","","","Didier Pintori","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Didier G. Pintori; Michael F. Greaney","Intramolecular Oxidative C-H Coupling for Medium-Ring Synthesis","Journal of the American Chemical Society","2011","133","","1209","1211","10.1021/ja1090854","","","0.7107","MoKα","","0.0584","0.0393","","","0.0966","0.1032","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105588","11.8879","0.0003","9.0693","0.0003","12.4154","0.0003","90","","92.315","0.002","90","","1337.47","0.06","100","","100","","","","","","","","Didier Pintori - reaction DP803B","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F N O -","- C18 H14 F N O -","- C72 H56 F4 N4 O4 -","4","1","","Didier G. Pintori; Michael F. Greaney","Intramolecular Oxidative C-H Coupling for Medium-Ring Synthesis","Journal of the American Chemical Society","2011","133","","1209","1211","10.1021/ja1090854","","","1.54178","CuKα","","0.0429","0.0367","","0.1024","0.0995","0.1024","","","","","","0.9536","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105589","11.018","0.002","12.439","0.003","12.576","0.003","118.73","0.03","99.56","0.03","91.47","0.03","1479.3","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) di-2,6-naphthalenedicarboxylate_10 H2O (I)","","","- C62 H66 N10 O18 -","- C62 H66 N10 O18 -","- C62 H66 N10 O18 -","1","0.5","","Han-Yuan Gong; Brett M. Rambo; Elizabeth Karnas; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","Environmentally Responsive Threading, Dethreading, and Fixation of Anion-Induced Pseudorotaxanes","Journal of the American Chemical Society","2011","133","","1526","1533","10.1021/ja109102k","","","0.71073","MoKα","","0.0864","0.0766","","","0.1924","0.2016","","","","","","1.012","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105590","10.421","0.002","11.556","0.002","14.011","0.003","98.76","0.03","109.73","0.03","101.49","0.03","1511.7","0.7","223","2","223","2","","","","","","","","4","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) di-terephthalate_16 H20","","","- C54 H42 N10 O24 -","- C54 H42 N10 O24.02 -","- C54 H42 N10 O24.02 -","1","0.5","","Han-Yuan Gong; Brett M. Rambo; Elizabeth Karnas; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","Environmentally Responsive Threading, Dethreading, and Fixation of Anion-Induced Pseudorotaxanes","Journal of the American Chemical Society","2011","133","","1526","1533","10.1021/ja109102k","","","0.71073","MoKα","","0.1687","0.1062","","","0.2257","0.2814","","","","","","0.966","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105591","10.807","0.002","12.716","0.003","14.113","0.003","69.89","0.03","82.26","0.03","72.19","0.03","1733","0.8","223","2","223","2","","","","","","","","4","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) di-4,4""-biphenyl dicarboxylate_2DMF_7.5H2O","","","- C72 H64 N12 O17.5 -","- C72 H64 N12 O17.52 -","- C72 H64 N12 O17.52 -","1","0.5","","Han-Yuan Gong; Brett M. Rambo; Elizabeth Karnas; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","Environmentally Responsive Threading, Dethreading, and Fixation of Anion-Induced Pseudorotaxanes","Journal of the American Chemical Society","2011","133","","1526","1533","10.1021/ja109102k","","","0.71073","MoKα","","0.0872","0.08","","","0.2008","0.2068","","","","","","0.871","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105592","11.431","0.002","13.858","0.003","15.183","0.003","116.2","0.003","91.13","0.003","113.54","0.003","1921.4","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H52 Ag2 N10 O28 -","- C74 H52 Ag2 N10 O28 -","- C74 H52 Ag2 N10 O28 -","1","0.5","","Han-Yuan Gong; Brett M. Rambo; Elizabeth Karnas; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","Environmentally Responsive Threading, Dethreading, and Fixation of Anion-Induced Pseudorotaxanes","Journal of the American Chemical Society","2011","133","","1526","1533","10.1021/ja109102k","","","0.71073","MoKα","","0.124","0.0925","","","0.1959","0.2209","","","","","","0.978","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105593","15.5209","0.0006","15.5209","0.0006","39.8268","0.0018","90","","90","","120","","8308.8","0.6","296","2","296","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C81 H116 B6 F24 N18 O22 Pd3 -","- C81 H115.99 B6 F24 N18 O22 Pd3 -","- C243 H347.97 B18 F72 N54 O66 Pd9 -","3","0.333333","","Tae Hwan Noh; Eunjung Heo; Kang Hyun Park; Ok-Sang Jung","Motion of an Isolated Water Molecule within a Flexible Coordination Cage: Structural Properties and Catalytic Effects of Ionic Palladium(II) Complexes","Journal of the American Chemical Society","2011","133","","1236","1239","10.1021/ja1093925","","","0.71073","MoKα","","0.0625","0.0505","","","0.1333","0.1466","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105594","15.5257","0.0001","15.5257","0.0001","40.6727","0.0007","90","","90","","120","","8490.55","0.17","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C81 H116 Cl6 N18 O47 Pd3 -","- C81 H115.99 Cl6 N18 O47 Pd3 -","- C243 H347.97 Cl18 N54 O141 Pd9 -","3","0.333333","","Tae Hwan Noh; Eunjung Heo; Kang Hyun Park; Ok-Sang Jung","Motion of an Isolated Water Molecule within a Flexible Coordination Cage: Structural Properties and Catalytic Effects of Ionic Palladium(II) Complexes","Journal of the American Chemical Society","2011","133","","1236","1239","10.1021/ja1093925","","","0.71073","MoKα","","0.0706","0.0321","","","0.0605","0.0654","","","","","","0.732","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105595","10.125","0.002","13.433","0.003","13.925","0.003","88.83","0.03","69.82","0.03","89.81","0.03","1777.3","0.7","210","2","210","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H38 Si2 -","- C44 H38 Si2 -","- C88 H76 Si4 -","2","1","","Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann","Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands","Journal of the American Chemical Society","2011","133","","1257","1259","10.1021/ja109604t","","","0.71073","MoKα","","0.0628","0.0411","","","0.0923","0.0977","","","","","","0.87","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105596","11.06097","0.00014","22.5577","0.0003","32.3831","0.0005","90","","90","","90","","8079.91","0.19","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","STOE & CIE GmbH Hilpertstr. 10 D-64295 Darmstadt Germany","","- C96 H92 K O4 Sc Si4 -","- C96 H92 K O4 Sc Si4 -","- C384 H368 K4 O16 Sc4 Si16 -","4","1","","Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann","Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands","Journal of the American Chemical Society","2011","133","","1257","1259","10.1021/ja109604t","","","0.71073","MoKα","","0.0506","0.0427","","","0.0905","0.0931","","","","","","1.084","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105597","14.375","0.006","14.42","0.006","28.45","0.007","88.31","0.03","82.44","0.03","63.69","0.03","5238","4","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H124 Ce Li O4 Si4 -","- C124 H124 Ce Li O4 Si4 -","- C248 H248 Ce2 Li2 O8 Si8 -","2","1","","Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann","Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands","Journal of the American Chemical Society","2011","133","","1257","1259","10.1021/ja109604t","","","0.71073","MoKα","","0.0537","0.0377","","","0.0843","0.0886","","","","","","0.945","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105598","13.32","0.001","17.329","0.002","16.4549","0.001","90","","112.23","0.02","90","","3515.9","0.7","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C88 H72 Ce Si4 -","- C88 H72 Ce Si4 -","- C176 H144 Ce2 Si8 -","2","0.5","","Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann","Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands","Journal of the American Chemical Society","2011","133","","1257","1259","10.1021/ja109604t","","","0.71073","MoKα","","0.0715","0.031","","","0.0601","0.0639","","","","","","0.698","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105599","11.6569","0.0008","25.6459","0.0017","26.8855","0.0017","90","","94.549","0.0008","90","","8012.1","0.9","143","2","143","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C102 H88 Si4 U -","- C102 H88 Si4 U -","- C408 H352 Si16 U4 -","4","0.5","","Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann","Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands","Journal of the American Chemical Society","2011","133","","1257","1259","10.1021/ja109604t","","","0.71073","MoKα","","0.0438","0.0291","","","0.0582","0.0636","","","","","","1.058","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105600","19.6998","0.0006","14.7348","0.0005","15.5859","0.0005","90","","90","","90","","4524.2","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Sc3N@l,2-fullero[80(Ih)]benzyne (5,6 isomer) carbon disulfide disolvate'","","","- C88 H4 N S4 Sc3 -","- C88 H4 N S4 Sc3 -","- C352 H16 N4 S16 Sc12 -","4","0.5","","Fang-Fang Li; Julio R. Pinzón; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch; Luis Echegoyen","[2 + 2] Cycloaddition Reaction to Sc3N@Ih-C80. The Formation of Very Stable [5,6]- and [6,6]-Adducts","Journal of the American Chemical Society","2011","133","","1563","1571","10.1021/ja1097176","","","0.7749","synchrotron","","0.0699","0.0662","","","0.1962","0.2011","","","","","","1.052","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105601","14.7764","0.0004","15.6777","0.0005","19.5438","0.0006","90","","90","","90","","4527.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Sc3N@l,2-fullero[80(Ih)]benzyne (6,6 isomer) carbon disulfide disolvate","","","- C88 H4 N S4 Sc3 -","- C88 H4 N S4 Sc3 -","- C352 H16 N4 S16 Sc12 -","4","1","","Fang-Fang Li; Julio R. Pinzón; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch; Luis Echegoyen","[2 + 2] Cycloaddition Reaction to Sc3N@Ih-C80. The Formation of Very Stable [5,6]- and [6,6]-Adducts","Journal of the American Chemical Society","2011","133","","1563","1571","10.1021/ja1097176","","","0.7749","syncrotron","","0.057","0.0555","","","0.1502","0.1523","","","","","","1.066","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105602","10.24","0.003","6.0262","0.0016","15.832","0.005","90","0","95.866","0.004","90","0","971.8","0.5","93.15","","93.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N,N'-4,4'-bipiperidinebis(methylenephosphonic acid)","4,4'-bipiperidine-1,1'-diylbis(methylene)diphosphonic acid","","- C12 H26 N2 O10 P2 -","- C12 H26 N2 O10 P2 -","- C24 H52 N4 O20 P4 -","2","0.5","","Michael T. Wharmby; John P. S. Mowat; Stephen P. Thompson; Paul A. Wright","Extending the Pore Size of Crystalline Metal Phosphonates toward the Mesoporous Regime by Isoreticular Synthesis","Journal of the American Chemical Society","2011","133","","1266","1269","10.1021/ja1097995","","","0.7107","MoKα","","0.0553","0.0511","","","0.1527","0.156","","","","","","1.139","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105603","41.28697","0.00024","41.28697","","6.26296","0.00007","90","","90","","120","","9245.63","0.12","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6 Co N O7.73 P -","- C6 Co N O7.72952 P -","- C108 Co18 N18 O139.131 P18 -","18","1","","Michael T. Wharmby; John P. S. Mowat; Stephen P. Thompson; Paul A. Wright","Extending the Pore Size of Crystalline Metal Phosphonates toward the Mesoporous Regime by Isoreticular Synthesis","Journal of the American Chemical Society","2011","133","","1266","1269","10.1021/ja1097995","powder diffraction","x-ray","0.825028","synchrotron","","","","","","","","0.05318","","6.72","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105604","12.73727","0.00014","12.73727","0.00014","25.1972","0.0004","90","","90","","90","","4087.94","0.09","110","2","110","2","","","","","","","","6","P 41","P 4w","76","","","","- C40 H50 Cl3 Fe N3 S -","- C40 H50 Cl3 Fe N3 S -","- C160 H200 Cl12 Fe4 N12 S4 -","4","1","","Yosra M. Badiei; Maxime A. Siegler; David P. Goldberg","O2 Activation by Bis(imino)pyridine Iron(II)-Thiolate Complexes","Journal of the American Chemical Society","2011","133","","1274","1277","10.1021/ja109923a","","","0.71073","MoKα","","0.0463","0.0382","","","0.0908","0.0929","","","","","","1.016","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105605","12.736","0.0002","18.304","0.0003","17.2827","0.0003","90","","99.0194","0.0017","90","","3979.12","0.12","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39.59 H47.59 F3.25 Fe N3 O3.25 S2 -","- C39.5845 H47.5845 F3.2493 Fe N3 O3.2493 S2 -","- C158.338 H190.338 F12.9972 Fe4 N12 O12.9972 S8 -","4","1","","Yosra M. Badiei; Maxime A. Siegler; David P. Goldberg","O2 Activation by Bis(imino)pyridine Iron(II)-Thiolate Complexes","Journal of the American Chemical Society","2011","133","","1274","1277","10.1021/ja109923a","","","0.71073","MoKα","","0.0686","0.0417","","","0.0925","0.0981","","","","","","0.988","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105606","16.9302","0.0004","11.4976","0.0002","24.1945","0.0007","90","","90","","90","","4709.62","0.19","110","2","110","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C38 H52 Cl2 F6 Fe N4 O8 S2 -","- C38 H52 Cl2 F6 Fe N4 O8 S2 -","- C152 H208 Cl8 F24 Fe4 N16 O32 S8 -","4","1","","Yosra M. Badiei; Maxime A. Siegler; David P. Goldberg","O2 Activation by Bis(imino)pyridine Iron(II)-Thiolate Complexes","Journal of the American Chemical Society","2011","133","","1274","1277","10.1021/ja109923a","","","0.71073","MoKα","","0.0577","0.0381","","","0.0721","0.0759","","","","","","0.948","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105607","8.8538","0.0011","10.9367","0.0014","16.39","0.002","90","","101.059","0.003","90","","1557.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C68 H96 O12 -","4","1","","Jason C. Green; Thomas R. R. Pettus","An Oxidative Dearomatization-Induced [5 + 2] Cascade Enabling the Syntheses of α-Cedrene, α-Pipitzol, and sec-Cedrenol","Journal of the American Chemical Society","2011","133","","1603","1608","10.1021/ja109925g","","","0.71073","MoKα","","0.0979","0.066","","","0.1443","0.1557","","","","","","1.422","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105608","11.6445","0.0004","12.6184","0.0004","12.7872","0.0004","90","","97.897","0.002","90","","1861.07","0.11","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H50 Cl2 F6 N4 P Rh -","- C33 H50 Cl2 F6 N4 P Rh -","- C66 H100 Cl4 F12 N8 P2 Rh2 -","2","1","","Peter Gigler; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn","Hydrosilylation with Biscarbene Rh(I) Complexes: Experimental Evidence for a Silylene-Based Mechanism","Journal of the American Chemical Society","2011","133","","1589","1596","10.1021/ja110017c","","","0.71073","MoKα","","0.0336","0.0295","","","0.0691","0.0731","","","","","","1.092","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105609","12.291","0.002","13.669","0.003","14.416","0.003","90.076","0.004","92.249","0.003","90.223","0.003","2420.1","0.8","153","","153","","","","","","","","","5","P 1","P 1","1","","","","- C46 H40 Cl10 N4 O -","- C46 H40 Cl10 N4 O -","- C92 H80 Cl20 N8 O2 -","2","2","","Kohsuke Ohmatsu; Mari Kiyokawa; Takashi Ooi","Chiral 1,2,3-Triazoliums as New Cationic Organic Catalysts with Anion-Recognition Ability: Application to Asymmetric Alkylation of Oxindoles","Journal of the American Chemical Society","2011","133","","1307","1309","10.1021/ja1102844","","","0.71073","MoKα","","0.0403","0.038","","","0.0976","0.0999","","","","","","1.021","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105610","13.766","0.004","15.624","0.004","25.915","0.008","90","","103.647","0.007","90","","5416","3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H79 N4 O4 Pd -","- C57 H79 N4 O4 Pd -","- C228 H316 N16 O16 Pd4 -","4","1","","Xiaochen Cai; Subhojit Majumdar; George C. Fortman; Catherine S. J. Cazin; Alexandra M. Z. Slawin; Charles Lhermitte; Rajeev Prabhakar; Meaghan E. Germain; Taryn Palluccio; Steven P. Nolan; Elena V. Rybak-Akimova; Manuel Temprado; Burjor Captain; Carl D. Hoff","Oxygen Binding to [Pd(L)(L')] (L= NHC, L' = NHC or PR3, NHC = N-Heterocyclic Carbene). Synthesis and Structure of a Paramagnetic trans-[Pd(NHC)2(η1-O2)2] Complex","Journal of the American Chemical Society","2011","133","","1290","1293","10.1021/ja1103348","","","0.71073","MoKα","","0.163","0.1261","","","0.2906","0.3092","","","","","","1.138","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105611","12.2884","0.0005","12.334","0.0005","17.2479","0.0007","82.982","0.001","87.966","0.001","89.015","0.001","2592.74","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H78 N4 O4 Pd -","- C54 H78 N4 O4 Pd -","- C108 H156 N8 O8 Pd2 -","2","1","","Xiaochen Cai; Subhojit Majumdar; George C. Fortman; Catherine S. J. Cazin; Alexandra M. Z. Slawin; Charles Lhermitte; Rajeev Prabhakar; Meaghan E. Germain; Taryn Palluccio; Steven P. Nolan; Elena V. Rybak-Akimova; Manuel Temprado; Burjor Captain; Carl D. Hoff","Oxygen Binding to [Pd(L)(L')] (L= NHC, L' = NHC or PR3, NHC = N-Heterocyclic Carbene). Synthesis and Structure of a Paramagnetic trans-[Pd(NHC)2(η1-O2)2] Complex","Journal of the American Chemical Society","2011","133","","1290","1293","10.1021/ja1103348","","","0.71073","MoKα","","0.0527","0.0375","","","0.0848","0.0932","","","","","","1.021","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105612","16.2579","0.0008","17.1922","0.0007","21.1975","0.001","90","","103.262","0.003","90","","5766.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H57 Al2 B F20 Si2 Zr -","- C54 H57 Al2 B F20 Si2 Zr -","- C216 H228 Al8 B4 F80 Si8 Zr4 -","4","1","","Steven M. Baldwin; John E. Bercaw; Lawrence M. Henling; Michael W. Day; Hans H. Brintzinger","Cationic Alkylaluminum-Complexed Zirconocene Hydrides: NMR-Spectroscopic Identification, Crystallographic Structure Determination, and Interconversion with Other Zirconocene Cations","Journal of the American Chemical Society","2011","133","","1805","1813","10.1021/ja1050428","","","0.71073","MoKα","","0.0795","0.0422","","","0.0681","0.0719","","","","","","1.883","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105613","17.3916","0.0007","26.6355","0.0012","27.3497","0.0012","90","","90","","90","","12669.3","0.9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C63.5 H61 Al2 B F20 Si Zr -","- C63.5 H61 Al2 B F20 Si Zr -","- C508 H488 Al16 B8 F160 Si8 Zr8 -","8","2","","Steven M. Baldwin; John E. Bercaw; Lawrence M. Henling; Michael W. Day; Hans H. Brintzinger","Cationic Alkylaluminum-Complexed Zirconocene Hydrides: NMR-Spectroscopic Identification, Crystallographic Structure Determination, and Interconversion with Other Zirconocene Cations","Journal of the American Chemical Society","2011","133","","1805","1813","10.1021/ja1050428","","","0.71073","MoKα","","0.1201","0.0623","","","0.0749","0.0779","","","","","","1.804","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105614","7.6703","0.0006","18.5451","0.0011","13.1767","0.0008","90","","91.644","0.004","90","","1873.6","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1'-Dimethyl-3,3'-Methylene-4-Diimidazolin-2,2'-Diylidene-Palladium(IV) Tetrachloride","","- C21 H30 Cl14 N8 Pd2 -","- C21 H30 Cl14 N8 Pd2 -","- C42 H60 Cl28 N16 Pd4 -","2","0.5","","A. Scott McCall; Hongwang Wang; John M. Desper; Stefan Kraft","Bis-N-heterocyclic Carbene Palladium(IV) Tetrachloride Complexes: Synthesis, Reactivity, and Mechanisms of Direct Chlorinations and Oxidations of Organic Substrates","Journal of the American Chemical Society","2011","133","","1832","1848","10.1021/ja107342b","","","0.71073","MoKα","","0.071","0.0465","","","0.107","0.1172","","","","","","1.056","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105615","18.7387","0.0002","21.4365","0.0003","25.4175","0.0003","90","","90","","90","","10210","0.2","153","2","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 N4 O40 Si V2 W10 -","- C64 N4 O40 Si V2 W10 -","- C256 N16 O160 Si4 V8 W40 -","4","1","","Kazuhiro Uehara; Noritaka Mizuno","Heterolytic Dissociation of Water Demonstrated by Crystal-to-Crystal Core Interconversion from (μ-Oxo)divanadium to Bis(μ-hydroxo)divanadium Substituted Polyoxometalates","Journal of the American Chemical Society","2011","133","","1622","1625","10.1021/ja108245g","","x-ray","0.71069","MoKα","","","0.0449","","","","0.1491","","","","","","1.087","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105616","35.6567","0.0001","35.6567","0.0001","16.9867","0.0001","90","","90","","90","","21596.9","0.15","153","2","153","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C68 Cl4 N4 O39 Si V2 W10 -","- C68 Cl4 N4 O39 Si V2 W10 -","- C544 Cl32 N32 O312 Si8 V16 W80 -","8","1","","Kazuhiro Uehara; Noritaka Mizuno","Heterolytic Dissociation of Water Demonstrated by Crystal-to-Crystal Core Interconversion from (μ-Oxo)divanadium to Bis(μ-hydroxo)divanadium Substituted Polyoxometalates","Journal of the American Chemical Society","2011","133","","1622","1625","10.1021/ja108245g","","x-ray","0.71069","MoKα","","","0.052","","","","0.1366","","","","","","1.088","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105617","35.6802","0.0004","35.6802","0.0004","16.9427","0.0002","90","","90","","90","","21569.4","0.4","153","2","153","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C68 Cl4 N4 O40 Si V2 W10 -","- C68 Cl4 N4 O40 Si V2 W10 -","- C544 Cl32 N32 O320 Si8 V16 W80 -","8","1","","Kazuhiro Uehara; Noritaka Mizuno","Heterolytic Dissociation of Water Demonstrated by Crystal-to-Crystal Core Interconversion from (μ-Oxo)divanadium to Bis(μ-hydroxo)divanadium Substituted Polyoxometalates","Journal of the American Chemical Society","2011","133","","1622","1625","10.1021/ja108245g","","x-ray","0.71069","MoKα","","","0.0609","","","","0.1683","","","","","","1.095","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105618","20.62","0.0017","20.3363","0.0016","25.951","0.002","90","","90","","90","","10882.1","1.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H66 Cl8 N12 O4 Pd2 -","- C46 H66 Cl8 N12 O4 Pd2 -","- C368 H528 Cl64 N96 O32 Pd16 -","8","1","","Gary Jing Chuang; Weike Wang; Eunsung Lee; Tobias Ritter","A Dinuclear Palladium Catalyst for α-Hydroxylation of Carbonyls with O2","Journal of the American Chemical Society","2011","133","","1760","1762","10.1021/ja108396k","","","0.71073","MoKα","","0.0295","0.0218","","","0.0496","0.0543","","","","","","1.051","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105619","9.8403","0.001","17.7022","0.0015","15.5474","0.0013","90","","95.805","0.003","90","","2694.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O2 S4 -","- C11 H13 N O2 S4 -","- C88 H104 N8 O16 S32 -","8","2","","John B. Biggins; Xiaofei Liu; Zhiyang Feng; Sean F. Brady","Metabolites from the Induced Expression of Cryptic Single Operons Found in the Genome of Burkholderia pseudomallei","Journal of the American Chemical Society","2011","133","","1638","1641","10.1021/ja1087369","","","0.71073","MoKα","","0.0726","0.0421","","","0.0901","0.1033","","","","","","1.038","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105620","10.6588","0.0008","20.2223","0.0014","7.4519","0.0006","90","","90.946","0.003","90","","1606","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","","John B. Biggins; Xiaofei Liu; Zhiyang Feng; Sean F. Brady","Metabolites from the Induced Expression of Cryptic Single Operons Found in the Genome of Burkholderia pseudomallei","Journal of the American Chemical Society","2011","133","","1638","1641","10.1021/ja1087369","","","0.71073","MoKα","","0.0604","0.0374","","","0.0903","0.1043","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105621","18.1916","0.0015","8.3327","0.0007","20.9582","0.0017","90","","90","","90","","3177","0.5","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C160 H144 O24 -","8","1","","John B. Biggins; Xiaofei Liu; Zhiyang Feng; Sean F. Brady","Metabolites from the Induced Expression of Cryptic Single Operons Found in the Genome of Burkholderia pseudomallei","Journal of the American Chemical Society","2011","133","","1638","1641","10.1021/ja1087369","","","0.71073","MoKα","","0.0853","0.052","","","0.1281","0.1499","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105622","24.1624","0.0009","24.1624","0.0009","24.1624","0.0009","90","","90","","90","","14106.5","0.9","173","2","173","2","","","","","","","","8","F -4 3 m","F -4 2 3","216","","","","- C84 H84 Co12 F4 Fe6 N2 O55 P4 -","- C72 H48 Co12 F4 Fe6 O46 P4 -","- C288 H192 Co48 F16 Fe24 O184 P16 -","4","0.0416667","","Sayon A. Kumalah Robinson; Marion-Vincent L. Mempin; Amy J. Cairns; K. Travis Holman","A Cubic, 12-Connected, Microporous Metal-Organometallic Phosphate Framework Sustained by Truncated Tetrahedral Nodes","Journal of the American Chemical Society","2011","133","","1634","1637","10.1021/ja108894a","","","0.71073","MoKα","","0.0513","0.047","","","0.1339","0.136","","","","","","1.059","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105623","27.139","0.005","8.776","0.0018","23.632","0.005","90","","123.81","0.03","90","","4677","2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H34 Cl N3 O -","- C25 H34 Cl N3 O -","- C200 H272 Cl8 N24 O8 -","8","2","","Dennis X. Hu; Michael D. Clift; Kiel E. Lazarski; Regan J. Thomson","Enantioselective Total Synthesis and Confirmation of the Absolute and Relative Stereochemistry of Streptorubin B","Journal of the American Chemical Society","2011","133","","1799","1804","10.1021/ja109165f","","","0.71073","MoKα","","0.0807","0.057","","","0.1345","0.1529","","","","","","1.029","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105624","11.7897","0.0012","14.5693","0.0014","19.106","0.002","90","","95.564","0.006","90","","3266.3","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34.38 H41.75 Cl2.75 N O6 -","- C34.375 H41.75 Cl2.75 N O6 -","- C137.5 H167 Cl11 N4 O24 -","4","2","","Micheal C. Wilson; Sang-Jip Nam; Tobias A. M. Gulder; Christopher A. Kauffman; Paul R. Jensen; William Fenical; Bradley S. Moore","Structure and Biosynthesis of the Marine Streptomycete Ansamycin Ansalactam A and Its Distinctive Branched Chain Polyketide Extender Unit","Journal of the American Chemical Society","2011","133","","1971","1977","10.1021/ja109226s","","","1.54178","CuKα","","0.0506","0.0488","","","0.1375","0.1394","","","","","","1.046","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105625","6.7044","0.0016","10.749","0.003","26.506","0.007","90","","90","","90","","1910.2","0.9","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl2 N O Pt -","- C17 H25 Cl2 N O Pt -","- C68 H100 Cl8 N4 O4 Pt4 -","4","1","","Katsuhiko Tomooka; Takayuki Ezawa; Hiroko Inoue; Kazuhiro Uehara; Kazunobu Igawa","Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate","Journal of the American Chemical Society","2011","133","","1754","1756","10.1021/ja1092375","","","0.7107","MoKα","","","0.0396","","","","0.1053","","","","","","1.029","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105626","17.233","0.007","7.822","0.003","7.535","0.003","90","","90","","90","","1015.7","0.7","123","","123","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Katsuhiko Tomooka; Takayuki Ezawa; Hiroko Inoue; Kazuhiro Uehara; Kazunobu Igawa","Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate","Journal of the American Chemical Society","2011","133","","1754","1756","10.1021/ja1092375","","","0.7107","MoKα","","","0.0602","","","","0.1609","","","","","","1.027","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105627","18.932","0.004","6.7865","0.0013","20.175","0.004","90","","114.731","0.0009","90","","2354.4","0.8","123.1","","123.1","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C24 H29 Cl2 N O2 Pt -","- C24 H29 Cl2 N O2 Pt -","- C96 H116 Cl8 N4 O8 Pt4 -","4","1","","Katsuhiko Tomooka; Takayuki Ezawa; Hiroko Inoue; Kazuhiro Uehara; Kazunobu Igawa","Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate","Journal of the American Chemical Society","2011","133","","1754","1756","10.1021/ja1092375","","","0.7107","MoKα","","","0.0495","","","","0.1314","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105628","6.025","0.002","9.345","0.004","32.971","0.013","90","","90","","90","","1856.4","1.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N O2 -","- C21 H22 Br N O2 -","- C84 H88 Br4 N4 O8 -","4","1","","Andrew DeAngelis; Valerie W. Shurtleff; Olga Dmitrenko; Joseph M. Fox","Rhodium(II)-Catalyzed Enantioselective C-H Functionalization of Indoles","Journal of the American Chemical Society","2011","133","","1650","1653","10.1021/ja1093309","","","0.71073","MoKα","","0.1163","0.0512","","","0.0677","0.0807","","","","","","1.021","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105629","5.5327","0.0003","7.7224","0.0004","5.4112","0.0003","90","","90","","90","","231.2","0.02","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","Calcium Technitium Oxide","","","- Ca O3 Tc -","- Ca O3 Tc -","- Ca4 O12 Tc4 -","4","0.5","","Maxim Avdeev; Gordon J. Thorogood; Melody L. Carter; Brendan J. Kennedy; Jimmy Ting; David J. Singh; Kia S. Wallwork","Antiferromagnetism in a Technetium Oxide. Structure of CaTcO3","Journal of the American Chemical Society","2011","133","","1654","1657","10.1021/ja109431t","powder diffraction","neutron","1.538","neutron","","","","","","","","","9.87","3.8","","","","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105630","11.288","0.002","14.489","0.003","20.884","0.004","90","","90","","90","","3415.6","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O4 S -","- C19 H21 N O4 S -","- C152 H168 N8 O32 S8 -","8","1","","Mu Lin; Feng Li; Lei Jiao; Zhi-Xiang Yu","Rh(I)-Catalyzed Formal [5 + 1]/[2 + 2 + 1] Cycloaddition of 1-Yne-vinylcyclopropanes and Two CO Units: One-Step Construction of Multifunctional Angular Tricyclic 5/5/6 Compounds","Journal of the American Chemical Society","2011","133","","1690","1693","10.1021/ja110039h","","","0.71073","MoKα","","0.0559","0.0517","","","0.1131","0.1157","","","","","","1.193","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105631","9.889","0.005","11.32","0.005","12.066","0.005","99.648","0.005","105.586","0.005","100.964","0.005","1242.7","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N2 O5 S2 -","- C27 H24 N2 O5 S2 -","- C54 H48 N4 O10 S4 -","2","1","","Kai Sun; Yan Li; Tao Xiong; Jingping Zhang; Qian Zhang","Palladium-Catalyzed C-H Aminations of Anilides with N-Fluorobenzenesulfonimide","Journal of the American Chemical Society","2011","133","","1694","1697","10.1021/ja1101695","","","0.71069","MoKα","","0.11","0.0748","","","0.1947","0.2208","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105632","10.0399","0.0006","10.9768","0.0005","13.4457","0.0006","109.146","0.004","92.134","0.004","110.32","0.005","1293.47","0.13","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C2.94 H3.29 N0.24 O0.71 S0.24 -","- C2.94118 H3.29412 N0.235294 O0.705882 S0.235294 -","- C50 H56 N4 O12 S4 -","17","8.5","","Kai Sun; Yan Li; Tao Xiong; Jingping Zhang; Qian Zhang","Palladium-Catalyzed C-H Aminations of Anilides with N-Fluorobenzenesulfonimide","Journal of the American Chemical Society","2011","133","","1694","1697","10.1021/ja1101695","","","","","","0.108","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105633","6.4325","0.0003","15.2429","0.0007","13.15","0.0004","90","","101.416","0.003","90","","1263.85","0.09","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 I N O2 -","- C13 H14 I N O2 -","- C52 H56 I4 N4 O8 -","4","1","","Stephen G. Newman; Mark Lautens","Palladium-Catalyzed Carboiodination of Alkenes: Carbon-Carbon Bond Formation with Retention of Reactive Functionality","Journal of the American Chemical Society","2011","133","","1778","1780","10.1021/ja110377q","","","0.71073","MoKα","","0.0682","0.0411","","","0.0947","0.1084","","","","","","1.052","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105634","13.5975","0.0002","21.6883","0.0003","15.1332","0.0003","90","","97.0785","0.0014","90","","4428.87","0.13","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H27 B Cu F20 N5 O -","- C47 H27 B Cu F20 N5 O -","- C188 H108 B4 Cu4 F80 N20 O4 -","4","1","","Ryan L. Peterson; Richard A. Himes; Hiroaki Kotani; Tomoyoshi Suenobu; Li Tian; Maxime A. Siegler; Edward I. Solomon; Shunichi Fukuzumi; Kenneth D. Karlin","Cupric Superoxo-Mediated Intermolecular C-H Activation Chemistry","Journal of the American Chemical Society","2011","133","","1702","1705","10.1021/ja110466q","","","0.71073","MoKα","","0.0572","0.0368","","","0.0917","0.0964","","","","","","0.985","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105635","11.3656","0.0008","13.4721","0.0009","7.4844","0.0005","90","","94.562","0.001","90","","1142.37","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Appaso Mahadev Jadhav; Sabyasachi Bhunia; Hsin-Yi Liao; Rai-Shung Liu","Gold-Catalyzed Stereoselective Synthesis of Azacyclic Compounds through a Redox/[2 + 2 + 1] Cycloaddition Cascade of Nitroalkyne Substrates","Journal of the American Chemical Society","2011","133","","1769","1771","10.1021/ja110514s","","","0.71073","MoKα","","0.0552","0.0462","","","0.1222","0.1275","","","","","","1.156","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105636","9.0389","0.0014","10.0864","0.0015","13.588","0.002","72.58","0.004","88.295","0.004","63.795","0.004","1052.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C48 H52 N4 O8 -","2","1","","Appaso Mahadev Jadhav; Sabyasachi Bhunia; Hsin-Yi Liao; Rai-Shung Liu","Gold-Catalyzed Stereoselective Synthesis of Azacyclic Compounds through a Redox/[2 + 2 + 1] Cycloaddition Cascade of Nitroalkyne Substrates","Journal of the American Chemical Society","2011","133","","1769","1771","10.1021/ja110514s","","","0.71073","MoKα","","0.0474","0.0367","","","0.0909","0.0983","","","","","","1.018","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105637","25.205","0.008","25.205","0.008","5.987","0.003","90","","90","","120","","3294","2","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C17 H14.67 F N O3.33 -","- C17 H14 F N O3.33333 -","- C153 H126 F9 N9 O30 -","9","1","","Filippo Sladojevich; Andrea Trabocchi; Antonio Guarna; Darren J. Dixon","A New Family of Cinchona-Derived Amino Phosphine Precatalysts: Application to the Highly Enantio- and Diastereoselective Silver-Catalyzed Isocyanoacetate Aldol Reaction","Journal of the American Chemical Society","2011","133","","1710","1713","10.1021/ja110534g","","","0.71073","MoKα","","0.0625","0.0498","","","0.0937","0.0986","","","","","","1.072","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105638","10.2156","0.0003","6.7637","0.0002","11.1574","0.0003","90","","90.889","0.0014","90","","770.83","0.04","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O3 -","- C17 H16 Br N O3 -","- C34 H32 Br2 N2 O6 -","2","1","","Filippo Sladojevich; Andrea Trabocchi; Antonio Guarna; Darren J. Dixon","A New Family of Cinchona-Derived Amino Phosphine Precatalysts: Application to the Highly Enantio- and Diastereoselective Silver-Catalyzed Isocyanoacetate Aldol Reaction","Journal of the American Chemical Society","2011","133","","1710","1713","10.1021/ja110534g","","","0.71073","MoKα","","0.0322","0.0288","","0.0699","0.0654","0.0699","","","","","","0.9127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105639","8.3201","0.0004","15.3584","0.0007","20.827","0.0009","90","","90","","90","","2661.3","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 Cl2 O4 -","- C31 H26 Cl2 O4 -","- C124 H104 Cl8 O16 -","4","1","","Xiaoyu Han; Youqing Wang; Fangrui Zhong; Yixin Lu","Enantioselective [3 + 2] Cycloaddition of Allenes to Acrylates Catalyzed by Dipeptide-Derived Phosphines: Facile Creation of Functionalized Cyclopentenes Containing Quaternary Stereogenic Centers","Journal of the American Chemical Society","2011","133","","1726","1729","10.1021/ja1106282","","","0.71073","MoKα","","0.1294","0.077","","","0.1388","0.1576","","","","","","1.031","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105640","7.8769","0.0003","8.1717","0.0003","11.1984","0.0005","70.325","0.001","84.844","0.001","78.875","0.001","665.74","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H12 O7 -","- C15 H12 O7 -","- C30 H24 O14 -","2","1","","Tian Qin; Richard P. Johnson; John A. Porco","Vinylogous Addition of Siloxyfurans to Benzopyryliums: A Concise Approach to the Tetrahydroxanthone Natural Products","Journal of the American Chemical Society","2011","133","","1714","1717","10.1021/ja110698n","","","1.54178","CuKα","","0.0313","0.0299","","","0.0827","0.084","","","","","","0.911","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105641","13.2285","0.0009","7.9453","0.0005","14.2764","0.0009","90","","104.118","0.003","90","","1455.19","0.16","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O7 -","- C16 H16 O7 -","- C64 H64 O28 -","4","1","","Tian Qin; Richard P. Johnson; John A. Porco","Vinylogous Addition of Siloxyfurans to Benzopyryliums: A Concise Approach to the Tetrahydroxanthone Natural Products","Journal of the American Chemical Society","2011","133","","1714","1717","10.1021/ja110698n","","","0.71073","MoKα","","0.0542","0.043","","","0.1163","0.1249","","","","","","1.053","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105642","8.8482","0.0003","7.7305","0.0002","21.7938","0.0006","90","","98.759","0.001","90","","1473.33","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O7 -","- C16 H16 O7 -","- C64 H64 O28 -","4","1","","Tian Qin; Richard P. Johnson; John A. Porco","Vinylogous Addition of Siloxyfurans to Benzopyryliums: A Concise Approach to the Tetrahydroxanthone Natural Products","Journal of the American Chemical Society","2011","133","","1714","1717","10.1021/ja110698n","","","1.54178","CuKα","","0.0359","0.032","","","0.0948","0.1085","","","","","","1.077","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105643","19.816","0.003","8.6","0.0013","32.975","0.005","90","","94.488","0.003","90","","5602.3","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H56 Cl2 N6 O12 S2 -","- C58 H56 Cl2 N6 O12 S2 -","- C232 H224 Cl8 N24 O48 S8 -","4","0.5","","Yifei Li; Xianxiu Xu; Jing Tan; Chunyu Xia; Dawei Zhang; Qun Liu","Double Isocyanide Cyclization: A Synthetic Strategy for Two-Carbon-Tethered Pyrrole/Oxazole Pairs","Journal of the American Chemical Society","2011","133","","1775","1777","10.1021/ja110864t","","","0.71069","MoKα","","0.1252","0.0656","","","0.1462","0.1747","","","","","","1.012","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105644","19.425","0.004","19.425","0.004","33.628","0.004","90","","90","","120","","10989","3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H90 N6 O12 S6 -","- C72 H90 N6 O12 S6 -","- C432 H540 N36 O72 S36 -","6","0.333333","","Yifei Li; Xianxiu Xu; Jing Tan; Chunyu Xia; Dawei Zhang; Qun Liu","Double Isocyanide Cyclization: A Synthetic Strategy for Two-Carbon-Tethered Pyrrole/Oxazole Pairs","Journal of the American Chemical Society","2011","133","","1775","1777","10.1021/ja110864t","","","0.71069","MoKα","","0.1482","0.0547","","","0.106","0.1349","","","","","","0.935","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105645","15.026","0.0016","11.9842","0.0013","15.5208","0.0016","90","","111.297","0.002","90","","2604","0.5","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N2 O5 S2 -","- C27 H28 N2 O5 S2 -","- C108 H112 N8 O20 S8 -","4","1","","Yifei Li; Xianxiu Xu; Jing Tan; Chunyu Xia; Dawei Zhang; Qun Liu","Double Isocyanide Cyclization: A Synthetic Strategy for Two-Carbon-Tethered Pyrrole/Oxazole Pairs","Journal of the American Chemical Society","2011","133","","1775","1777","10.1021/ja110864t","","","0.71073","MoKα","","0.0548","0.0411","","","0.1022","0.1096","","","","","","1.014","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105646","10.258","0.0017","10.876","0.0018","12.051","0.002","112.395","0.002","97.263","0.002","111.677","0.002","1097.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O4 -","- C27 H22 N2 O4 -","- C54 H44 N4 O8 -","2","1","","Fushun Liang; Shaoxia Lin; Ying Wei","Aza-Oxy-Carbanion Relay via Non-Brook Rearrangement: Efficient Synthesis of Furo[3,2-c]pyridinones","Journal of the American Chemical Society","2011","133","","1781","1783","10.1021/ja110870f","","","0.71069","MoKα","","0.1246","0.0553","","","0.125","0.1532","","","","","","1.003","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105647","13.619","0.002","11.3289","0.0016","15.146","0.003","90","","101.77","0.015","90","","2287.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 N O2 -","- C29 H25 N O2 -","- C116 H100 N4 O8 -","4","1","","Fushun Liang; Shaoxia Lin; Ying Wei","Aza-Oxy-Carbanion Relay via Non-Brook Rearrangement: Efficient Synthesis of Furo[3,2-c]pyridinones","Journal of the American Chemical Society","2011","133","","1781","1783","10.1021/ja110870f","","","0.71073","MoKα","","0.1826","0.0374","","","0.0389","0.0467","","","","","","0.591","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105648","5.5373","0.0001","7.7118","0.0002","5.4004","0.0001","90","","90","","90","","230.611","0.008","4","","4","","","","","","","","","3","P n m a","-P 2ac 2n","62","Calcium Technitium Oxide","","","- Ca O3 Tc -","- Ca O3 Tc -","- Ca4 O12 Tc4 -","4","0.5","","Maxim Avdeev; Gordon J. Thorogood; Melody L. Carter; Brendan J. Kennedy; Jimmy Ting; David J. Singh; Kia S. Wallwork","Antiferromagnetism in a Technetium Oxide. Structure of CaTcO3","Journal of the American Chemical Society","2011","133","","1654","1657","10.1021/ja109431t","powder diffraction","neutron","1.885","neutron","","","","","","","","","12.48","4.8","","","","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105649","53.188","0.003","53.188","0.003","17.813","0.002","90","","90","","120","","43641","6","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C38 H40 N2 O16 Zn2 -","- C28 H16 N2 O13 Zn2 -","- C1008 H576 N72 O468 Zn72 -","36","1","","Sebastian Henke; Roland A. Fischer","Gated Channels in a Honeycomb-like Zinc-Dicarboxylate-Bipyridine Framework with Flexible Alkyl Ether Side Chains","Journal of the American Chemical Society","2011","133","","2064","2067","10.1021/ja109317e","","","1.54178","CuKα","","0.1145","0.0903","","","0.2642","0.2778","","","","","","0.987","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105650","14.0138","0.0002","10.9075","0.0002","21.7501","0.0004","90","","91.524","0.002","90","","3323.45","0.1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N2 O12 Zn2 -","- C26 H10 N2 O9 Zn2 -","- C104 H40 N8 O36 Zn8 -","4","1","","Sebastian Henke; Roland A. Fischer","Gated Channels in a Honeycomb-like Zinc-Dicarboxylate-Bipyridine Framework with Flexible Alkyl Ether Side Chains","Journal of the American Chemical Society","2011","133","","2064","2067","10.1021/ja109317e","","","0.71073","MoKα","","0.0708","0.0456","","","0.1331","0.1394","","","","","","1.012","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105651","10.7453","0.0009","13.0951","0.001","16.1287","0.0014","86.901","0.002","82.155","0.002","67.312","0.003","2074.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41.25 H62 B N2 O2 Os P2 -","- C41.25 H62 B N2 O2 Os P2 -","- C82.5 H124 B2 N4 O4 Os2 P4 -","2","1","","María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate","From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates","Journal of the American Chemical Society","2011","133","","2250","2263","10.1021/ja109691v","","","0.71073","MoKα","","0.0404","0.0346","","","0.0862","0.0899","","","","","","1.033","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105652","10.1135","0.0011","17.243","0.002","19.003","0.002","80.393","0.002","88.068","0.002","89.455","0.002","3265.5","0.6","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C31 H53 B N2 O Os P2 -","- C31 H53 B N2 O Os P2 -","- C124 H212 B4 N8 O4 Os4 P8 -","4","4","","María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate","From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates","Journal of the American Chemical Society","2011","133","","2250","2263","10.1021/ja109691v","","","0.71073","MoKα","","0.0946","0.058","","","0.1096","0.13","","","","","","0.938","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105653","10.2107","0.0015","23.871","0.003","29.595","0.005","100.687","0.004","90.333","0.003","101.922","0.005","6928.2","1.8","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C33 H57 B N2 O Os P2 -","- C33 H57 B N2 O Os P2 -","- C264 H456 B8 N16 O8 Os8 P16 -","8","8","","María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate","From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates","Journal of the American Chemical Society","2011","133","","2250","2263","10.1021/ja109691v","","","0.71073","MoKα","","0.0667","0.0535","","","0.1191","0.1281","","","","","","1.013","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105654","11.1936","0.0016","11.8609","0.0017","16.576","0.002","106.953","0.003","97.875","0.003","97.96","0.003","2047.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H63 B N2 O Os P2 -","- C41 H63 B N2 O Os P2 -","- C82 H126 B2 N4 O2 Os2 P4 -","2","1","","María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate","From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates","Journal of the American Chemical Society","2011","133","","2250","2263","10.1021/ja109691v","","","0.71073","MoKα","","0.0661","0.0488","","","0.0881","0.0955","","","","","","1.043","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105655","10.5199","0.0001","14.3046","0.0004","15.6759","0.0004","107.045","0.002","104.592","0.0019","104.807","0.002","2039.57","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H63 B N2 O2 Os P2 -","- C42 H63 B N2 O2 Os P2 -","- C84 H126 B2 N4 O4 Os2 P4 -","2","1","","María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate","From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates","Journal of the American Chemical Society","2011","133","","2250","2263","10.1021/ja109691v","","","0.7107","MoKα","","0.042","0.0277","","","0.0475","0.0491","","","","","","0.908","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105656","8.903","0.002","10.455","0.003","10.571","0.003","90","","92.511","0.004","90","","983","0.5","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 I2 O3 -","- C18 H24 I2 O3 -","- C36 H48 I4 O6 -","2","1","","Xuebin Liao; Levi M. Stanley; John F. Hartwig","Enantioselective Total Syntheses of (-)-Taiwaniaquinone H and (-)-Taiwaniaquinol B by Iridium-Catalyzed Borylation and Palladium-Catalyzed Asymmetric α-Arylation","Journal of the American Chemical Society","2011","133","","2088","2091","10.1021/ja110215b","","","0.71073","MoKα","","0.0309","0.0252","","","0.0583","0.06","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105657","12.7079","0.0004","10.4589","0.0004","33.0698","0.0012","90","","94.433","0.001","90","","4382.2","0.3","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40 B Cl3 F4 N2 P2 Pd -","- C45 H38 B Cl3 F4 N2 P2 Pd -","- C180 H152 B4 Cl12 F16 N8 P8 Pd4 -","4","1","","Tim Kösterke; Tania Pape; F. Ekkehardt Hahn","Synthesis of NHC Complexes by Oxidative Addition of 2-Chloro-N-methylbenzimidazole","Journal of the American Chemical Society","2011","133","","2112","2115","10.1021/ja110634h","","","0.71073","MoKα","","0.0672","0.0487","","","0.1272","0.1398","","","","","","1.009","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105658","12.7733","0.0006","10.5578","0.0005","33.0376","0.0015","90","","94.442","0.001","90","","4442","0.4","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H39 B Cl2 F4 N2 P2 Pt -","- C44.5 H38 B Cl2 F4 N2 P2 Pt -","- C178 H152 B4 Cl8 F16 N8 P8 Pt4 -","4","1","","Tim Kösterke; Tania Pape; F. Ekkehardt Hahn","Synthesis of NHC Complexes by Oxidative Addition of 2-Chloro-N-methylbenzimidazole","Journal of the American Chemical Society","2011","133","","2112","2115","10.1021/ja110634h","","","0.71073","MoKα","","0.0638","0.0445","","","0.1243","0.135","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105659","10.4079","0.0003","12.9817","0.0004","16.6774","0.0005","102.085","0.001","104.508","0.001","106.14","0.001","1998.96","0.11","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H38 B Cl F4 N2 P2 Pt -","- C44 H38 B Cl F4 N2 P2 Pt -","- C88 H76 B2 Cl2 F8 N4 P4 Pt2 -","2","1","","Tim Kösterke; Tania Pape; F. Ekkehardt Hahn","Synthesis of NHC Complexes by Oxidative Addition of 2-Chloro-N-methylbenzimidazole","Journal of the American Chemical Society","2011","133","","2112","2115","10.1021/ja110634h","","","0.71073","MoKα","","0.0268","0.0244","","","0.0619","0.0629","","","","","","1.057","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105660","20.6422","0.0007","12.4704","0.0004","24.1515","0.0008","90","","106.313","0.001","90","","5966.7","0.3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H56 Cl2 N6 O1.5 P2 Pt2 -","- C64 H54 Cl2 N6 O1.5 P2 Pt2 -","- C256 H216 Cl8 N24 O6 P8 Pt8 -","4","1","","Tim Kösterke; Tania Pape; F. Ekkehardt Hahn","Synthesis of NHC Complexes by Oxidative Addition of 2-Chloro-N-methylbenzimidazole","Journal of the American Chemical Society","2011","133","","2112","2115","10.1021/ja110634h","","","0.71073","MoKα","","0.0544","0.0348","","","0.0867","0.0974","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105661","12.8792","0.0013","13.1696","0.0013","16.6164","0.0016","86.739","0.002","88.301","0.002","74.946","0.002","2716.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34.19 H32.47 N3 O0.547 -","- C34.192 H32.48 N3 O0.548 -","- C136.768 H129.92 N12 O2.192 -","4","2","","Michael C. Haibach; Indubhusan Deb; Chandra Kanta De; Daniel Seidel","Redox-Neutral Indole Annulation Cascades","Journal of the American Chemical Society","2011","133","","2100","2103","10.1021/ja110713k","","","0.71073","MoKα","","0.0727","0.0505","","","0.1216","0.1312","","","","","","1.024","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105662","7.9263","0.0009","9.9913","0.0011","13.9349","0.0015","100.827","0.002","99.715","0.002","112.307","0.002","967.18","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25.5 H23 Cl N2 -","- C25.5 H23 Cl N2 -","- C51 H46 Cl2 N4 -","2","1","","Michael C. Haibach; Indubhusan Deb; Chandra Kanta De; Daniel Seidel","Redox-Neutral Indole Annulation Cascades","Journal of the American Chemical Society","2011","133","","2100","2103","10.1021/ja110713k","","","0.71073","MoKα","","0.0594","0.0522","","","0.1331","0.138","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105663","10.6479","0.0011","10.6812","0.0011","20.973","0.002","90","","99.118","0.002","90","","2355.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 N2 O -","- C29 H32 N2 O -","- C116 H128 N8 O4 -","4","1","","Michael C. Haibach; Indubhusan Deb; Chandra Kanta De; Daniel Seidel","Redox-Neutral Indole Annulation Cascades","Journal of the American Chemical Society","2011","133","","2100","2103","10.1021/ja110713k","","","0.71073","MoKα","","0.0724","0.0593","","","0.1478","0.1568","","","","","","1.007","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105664","13.0601","0.0009","19.0376","0.0013","8.2253","0.0005","90","","90","","90","","2045.1","0.2","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C28 H25 N3 -","- C28 H25 N3 -","- C112 H100 N12 -","4","1","","Michael C. Haibach; Indubhusan Deb; Chandra Kanta De; Daniel Seidel","Redox-Neutral Indole Annulation Cascades","Journal of the American Chemical Society","2011","133","","2100","2103","10.1021/ja110713k","","","0.71073","MoKα","","0.0461","0.0441","","","0.1072","0.1087","","","","","","1.046","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105665","10.91","0.007","11.252","0.007","16.024","0.01","90","","93.368","0.01","90","","1964","2","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","(THF)V(tpaMes)","","","- C46 H53 N4 O V -","- C46 H53 N4 O V -","- C92 H106 N8 O2 V2 -","2","1","","Nicholas A. Piro; Michael F. Lichterman; W. Hill Harman; Christopher J. Chang","A Structurally Characterized Nitrous Oxide Complex of Vanadium","Journal of the American Chemical Society","2011","133","","2108","2111","10.1021/ja110798w","","","0.71073","MoKα","","0.0518","0.0378","","","0.0789","0.0851","","","","","","1.034","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105666","10.4388","0.0007","10.4441","0.0007","19.1656","0.0014","83.921","0.004","79.928","0.004","62.462","0.003","1823.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(tpaMes)V(N2O)","","","- C42 H45 N6 O V -","- C42 H45 N6 O V -","- C84 H90 N12 O2 V2 -","2","1","","Nicholas A. Piro; Michael F. Lichterman; W. Hill Harman; Christopher J. Chang","A Structurally Characterized Nitrous Oxide Complex of Vanadium","Journal of the American Chemical Society","2011","133","","2108","2111","10.1021/ja110798w","","","0.71073","MoKα","","0.0627","0.0473","","","0.129","0.1378","","","","","","1.085","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105667","27.8","0.3","26.2","0.3","21.3","0.2","90","","123.69","0.17","90","","12908","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61.5 H78 Cl10 N4 O11.5 P -","- C61.5 H78 Cl10 N4 O11.5 P -","- C492 H624 Cl80 N32 O92 P8 -","8","1","","Pascal Dimitrov Raytchev; Alexandre Martinez; Heinz Gornitzka; Jean-Pierre Dutasta","Encaging the Verkade's Superbases: Thermodynamic and Kinetic Consequences","Journal of the American Chemical Society","2011","133","","2157","2159","10.1021/ja1110333","","","0.71073","MoKα","","0.315","0.1305","","","0.3094","0.4145","","","","","","1.035","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4105668","9.1929","0.0005","9.2239","0.0004","17.1717","0.0009","96.05","0.003","104.776","0.003","101.491","0.003","1360.82","0.12","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H40 B F4 N P Rh -","- C28 H40 B F4 N P Rh -","- C56 H80 B2 F8 N2 P2 Rh2 -","2","1","","Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig","Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes","Journal of the American Chemical Society","2011","133","","2772","2782","10.1021/ja1057949","","","0.71073","MoKα","","0.0504","0.0346","","","0.0684","0.074","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105669","12.0879","0.0005","11.8478","0.0005","45.928","0.002","90","","98.067","0.002","90","","6512.5","0.5","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H87 B2 F8 N7 P2 Rh2 -","- C62 H87 B2 F8 N7 P2 Rh2 -","- C248 H348 B8 F32 N28 P8 Rh8 -","4","1","","Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig","Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes","Journal of the American Chemical Society","2011","133","","2772","2782","10.1021/ja1057949","","","0.71073","MoKα","","0.0535","0.0391","","","0.0811","0.0867","","","","","","1.079","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105670","9.3718","0.0012","15.838","0.002","14.0215","0.0018","90","","98.362","0.009","90","","2059.1","0.5","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H55 F6 N2 P Rh Sb -","- C43 H55 F6 N2 P Rh Sb -","- C86 H110 F12 N4 P2 Rh2 Sb2 -","2","1","","Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig","Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes","Journal of the American Chemical Society","2011","133","","2772","2782","10.1021/ja1057949","","","0.71073","MoKα","","0.1094","0.0573","","","0.0911","0.1061","","","","","","0.993","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105671","12.1655","0.0006","14.1694","0.0007","19.677","0.0011","90","","92.195","0.003","90","","3389.4","0.3","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 B F4 N3 O P Rh -","- C32 H52 B F4 N3 O P Rh -","- C128 H208 B4 F16 N12 O4 P4 Rh4 -","4","1","","Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig","Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes","Journal of the American Chemical Society","2011","133","","2772","2782","10.1021/ja1057949","","","0.71073","MoKα","","0.056","0.036","","","0.0769","0.0856","","","","","","1.019","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105672","15.243","0.003","16.582","0.004","19.241","0.004","90","","90","","90","","4863.3","1.8","193","","193","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C52 H72 Cl2 N2 P2 Rh2 -","- C52 H72 Cl2 N2 P2 Rh2 -","- C208 H288 Cl8 N8 P8 Rh8 -","4","0.5","","Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig","Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes","Journal of the American Chemical Society","2011","133","","2772","2782","10.1021/ja1057949","","","0.71073","MoKα","","0.0616","0.0357","","","0.0824","0.0911","","","","","","1.02","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105673","20.1775","0.0006","20.1775","0.0006","21.9148","0.0007","90","","90","","120","","7726.9","0.4","149","2","150","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C81.5 H219.5 Ge14 Li3 O7 Si25 -","- C81.48 H219.57 Ge14 Li3 O6.99 Si25 -","- C162.96 H439.14 Ge28 Li6 O13.98 Si50 -","2","0.166667","","Christian Schenk; Andreas Kracke; Karin Fink; Adam Kubas; Wim Klopper; Marco Neumaier; Hansgeorg Schnöckel; Andreas Schnepf","The Formal Combination of Three Singlet Biradicaloid Entities to a Singlet Hexaradicaloid Metalloid Ge14[Si(SiMe3)3]5[Li(THF)2]3 Cluster","Journal of the American Chemical Society","2011","133","","2518","2524","10.1021/ja107446z","","","0.8","synchrotron","","0.0471","0.0427","","","0.0953","0.0975","","","","","","1.154","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105674","11.57","0.0006","17.0742","0.0008","17.153","0.0009","90","","104.13","0.001","90","","3286","0.3","125","2","125","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C23 H52 F3 N Ni O3 P2 S Si2 -","- C23 H52 F3 N Ni O3 P2 S Si2 -","- C92 H208 F12 N4 Ni4 O12 P8 S4 Si8 -","4","1","","Benjamin C. Fullmer; Hongjun Fan; Maren Pink; John C. Huffman; Nikolay P. Tsvetkov; Kenneth G. Caulton","Three-Coordinate NiII: Tracing the Origin of an Unusual, Facile Si-C(sp3) Bond Cleavage in [(tBu2PCH2SiMe2)2N]Ni+","Journal of the American Chemical Society","2011","133","","2571","2582","10.1021/ja108426f","","","0.71073","MoKα","","0.0297","0.023","","","0.0551","0.057","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105675","16.1099","0.0017","11.1663","0.0012","16.6537","0.0017","90","","109.302","0.002","90","","2827.4","0.5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 B F4 N Ni P2 Si -","- C20 H48 B F4 N Ni P2 Si -","- C80 H192 B4 F16 N4 Ni4 P8 Si4 -","4","1","","Benjamin C. Fullmer; Hongjun Fan; Maren Pink; John C. Huffman; Nikolay P. Tsvetkov; Kenneth G. Caulton","Three-Coordinate NiII: Tracing the Origin of an Unusual, Facile Si-C(sp3) Bond Cleavage in [(tBu2PCH2SiMe2)2N]Ni+","Journal of the American Chemical Society","2011","133","","2571","2582","10.1021/ja108426f","","","0.71073","MoKα","","0.1183","0.0703","","","0.1766","0.1964","","","","","","1.056","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4105676","21.071","0.004","18.061","0.003","10.7728","0.0014","90","","90","","90","","4099.7","1.2","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H22 O6 -","- C26 H22 O6 -","- C208 H176 O48 -","8","1","","Pablo Wessig; Annika Matthes","Preparation of Strained Axially Chiral (1,5)Naphthalenophanes by Photo-dehydro-Diels-Alder Reaction","Journal of the American Chemical Society","2011","133","","2642","2650","10.1021/ja109118m","","","0.71073","MoKα","","0.0339","0.0288","","","0.0757","0.0775","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105677","13.2149","0.0015","20.0393","0.0015","24.432","0.003","90","","95.696","0.002","90","","6438.1","1.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C102 H15 F30 N Sc3 -","- C102 H15 F30 N Sc3 -","- C408 H60 F120 N4 Sc12 -","4","1","","Natalia B. Shustova; Dmitry V. Peryshkov; Igor V. Kuvychko; Yu-Sheng Chen; Mary A. Mackey; Curtis E. Coumbe; David T. Heaps; Bridget S. Confait; Thomas Heine; J. Paige Phillips; Steven Stevenson; Lothar Dunsch; Alexey A. Popov; Steven H. Strauss; Olga V. Boltalina","Poly(perfluoroalkylation) of Metallic Nitride Fullerenes Reveals Addition-Pattern Guidelines: Synthesis and Characterization of a Family of Sc3N@C80(CF3)n (n = 2-16) and Their Radical Anions","Journal of the American Chemical Society","2011","133","","2672","2690","10.1021/ja109462j","","","0.41328","synchrotron","","0.1098","0.0674","","","0.1474","0.1648","","","","","","1.103","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105678","13.2899","0.0014","38.424","0.005","13.5862","0.0016","90","","115.789","0.003","90","","6246.8","1.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C93 F36 N S2 Sc3 -","- C93 F36 N S2 Sc3 -","- C372 F144 N4 S8 Sc12 -","4","1","","Natalia B. Shustova; Dmitry V. Peryshkov; Igor V. Kuvychko; Yu-Sheng Chen; Mary A. Mackey; Curtis E. Coumbe; David T. Heaps; Bridget S. Confait; Thomas Heine; J. Paige Phillips; Steven Stevenson; Lothar Dunsch; Alexey A. Popov; Steven H. Strauss; Olga V. Boltalina","Poly(perfluoroalkylation) of Metallic Nitride Fullerenes Reveals Addition-Pattern Guidelines: Synthesis and Characterization of a Family of Sc3N@C80(CF3)n (n = 2-16) and Their Radical Anions","Journal of the American Chemical Society","2011","133","","2672","2690","10.1021/ja109462j","","","0.41328","synchrotron","","0.1138","0.0511","","","0.099","0.1188","","","","","","1.008","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105679","4.0711","0.0001","4.0711","0.0001","18.9094","0.0006","90","","90","","90","","313.402","0.015","293","2","293","2","","","","","","","synthesis as described","5","I 4/m m m","-I 4 2","139","Compound X","","","- Ba4 Co2 Cu3.89 O4 S4 -","- Ba4 Co2 Cu3.888 O4 S4 -","- Ba4 Co2 Cu3.888 O4 S4 -","1","0.03125","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","","x-ray","0.71073","MoKα","","0.0178","0.0168","","","0.0382","0.0385","","","","","","1.163","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105680","5.6337","0.00026","5.6337","0.00026","17.6466","0.0004","90","","90","","90","","560.08","0.04","","","","","","","","","","","","1","P 1","P 1","1","","","","- Co -","- Co -","- Co4 -","4","4","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.67","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105681","3.61538","0.00035","3.61538","","3.61538","","90","","90","","90","","47.257","0.005","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Cu -","- Cu -","- Cu4 -","4","0.0208333","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.67","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105682","4.649","0.005","3.4382","0.0034","5.187","0.006","90","","98.64","0.08","90","","81.97","0.15","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Cu O -","- Cu O -","- Cu4 O4 -","4","0.5","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.67","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105683","3.01596","0.00034","3.01596","","3.01596","","90","","90","","90","","27.433","0.003","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.67","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105684","5.6441","0.00026","5.6441","0.00026","17.7137","0.0004","90","","90","","90","","564.29","0.04","","","","","","","","","","","","1","P 1","P 1","1","","","","- Co -","- Co -","- Co4 -","4","4","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.82","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105685","4.6809","","3.4176","","5.122","","90","","99.784","","90","","80.747","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Cu O -","- Cu O -","- Cu4 O4 -","4","0.5","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.82","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105686","3.01691","0.00029","3.01691","","3.01691","","90","","90","","90","","27.459","0.003","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.82","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105687","9.998","0.008","6.545","0.006","13.109","0.01","90","","109.81","0.04","90","","807","1.2","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Cl O4 -","- C18 H15 Cl O4 -","- C36 H30 Cl2 O8 -","2","1","","Dorine Belmessieri; Louis C. Morrill; Carmen Simal; Alexandra M. Z. Slawin; Andrew D. Smith","Organocatalytic Functionalization of Carboxylic Acids: Isothiourea-Catalyzed Asymmetric Intra- and Intermolecular Michael Addition-Lactonizations","Journal of the American Chemical Society","2011","133","","2714","2720","10.1021/ja109975c","","","0.71073","MoKα","","0.1205","0.0948","","","0.2298","0.2609","","","","","","1.057","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105688","6.3142","0.0011","19.786","0.003","26.184","0.004","90","","90","","90","","3271.2","0.9","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Br O4 -","- C19 H15 Br O4 -","- C152 H120 Br8 O32 -","8","2","","Dorine Belmessieri; Louis C. Morrill; Carmen Simal; Alexandra M. Z. Slawin; Andrew D. Smith","Organocatalytic Functionalization of Carboxylic Acids: Isothiourea-Catalyzed Asymmetric Intra- and Intermolecular Michael Addition-Lactonizations","Journal of the American Chemical Society","2011","133","","2714","2720","10.1021/ja109975c","","","0.71073","MoKα","","0.0503","0.0377","","","0.0647","0.0696","","","","","","0.943","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105689","14.158","0.01","21.005","0.014","18.336","0.012","90","","90","","90","","5453","6","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C27.4 H26.8 Cl0.8 N4 O7 -","- C27.4 H26.8 Cl0.8 N4 O7 -","- C219.2 H214.4 Cl6.4 N32 O56 -","8","1","","Xue Gao; Yit-Heng Chooi; Brian D. Ames; Peng Wang; Christopher T. Walsh; Yi Tang","Fungal Indole Alkaloid Biosynthesis: Genetic and Biochemical Investigation of the Tryptoquialanine Pathway in Penicillium aethiopicum","Journal of the American Chemical Society","2011","133","","2729","2741","10.1021/ja1101085","","","0.71073","MoKα","","0.0765","0.0491","","","0.1414","0.1666","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105690","21.974","0.003","21.974","0.003","10.8958","0.0017","90","","90","","120","","4556.3","1.1","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- C26.08 H27.16 N5 O4.36 -","- C26.08 H27.16 N5 O4.36 -","- C156.48 H162.96 N30 O26.16 -","6","1","","Xue Gao; Yit-Heng Chooi; Brian D. Ames; Peng Wang; Christopher T. Walsh; Yi Tang","Fungal Indole Alkaloid Biosynthesis: Genetic and Biochemical Investigation of the Tryptoquialanine Pathway in Penicillium aethiopicum","Journal of the American Chemical Society","2011","133","","2729","2741","10.1021/ja1101085","","","0.71073","MoKα","","0.0942","0.0703","","","0.1593","0.1713","","","","","","1.081","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105691","7.2644","0.0016","12.669","0.003","18.735","0.004","90","","100.899","0.003","90","","1693.1","0.7","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Keiji Mori; Shosaku Sueoka; Takahiko Akiyama","Expeditious Construction of a Carbobicyclic Skeleton via sp3-C-H Functionalization: Hydride Shift from an Aliphatic Tertiary Position in an Internal Redox Process","Journal of the American Chemical Society","2011","133","","2424","2426","10.1021/ja110520p","","","0.71073","MoKα","","0.0734","0.0603","","","0.1753","0.1849","","","","","","1.094","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105692","15.822","0.003","64.769","0.013","6.4071","0.0013","90","","90","","90","","6566","2","123","","123","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C288 H352 N32 O48 -","16","1","","Keiji Mori; Shosaku Sueoka; Takahiko Akiyama","Expeditious Construction of a Carbobicyclic Skeleton via sp3-C-H Functionalization: Hydride Shift from an Aliphatic Tertiary Position in an Internal Redox Process","Journal of the American Chemical Society","2011","133","","2424","2426","10.1021/ja110520p","","","0.71073","MoKα","","0.0626","0.0485","","","0.1202","0.128","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105693","10.9836","0.0002","21.6821","0.0004","21.2588","0.0004","90","","100.223","0.001","90","","4982.36","0.16","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sc2C2@C80Ad-G","","","- C97.3 H16.8 Cl1.4 S2.2 Sc2 -","- C97.3 H16.8 Cl1.4 S2.2 Sc2 -","- C389.2 H67.2 Cl5.6 S8.8 Sc8 -","4","1","","Hiroki Kurihara; Xing Lu; Yuko Iiduka; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Takeshi Akasaka; Shigeru Nagase","Sc2C2@C80 Rather than Sc2@C82: Templated Formation of Unexpected C2v(5)-C80 and Temperature-Dependent Dynamic Motion of Internal Sc2C2 Cluster","Journal of the American Chemical Society","2011","133","","2382","2385","10.1021/ja1107723","","","0.71073","MoKα","","0.0726","0.0548","","","0.1329","0.1451","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105694","9.976","0.003","37.485","0.013","10.185","0.004","90","","95.426","0.004","90","","3792","2","103.15","","103","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C145 H24 S6 -","- C145 H24 S6 -","- C290 H48 S12 -","2","0.5","","Masakazu Nambo; Yasutomo Segawa; Kenichiro Itami","Aziridinofullerene: A Versatile Platform for Functionalized Fullerenes","Journal of the American Chemical Society","2011","133","","2402","2405","10.1021/ja111213k","","","0.7107","MoKα","","0.1291","0.0846","","","0.1865","0.2144","","","","","","1.097","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105695","16.285","0.01","19.242","0.011","17.514","0.011","90","","111.145","0.006","90","","5119","5","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H29 N O4 S -","- C90 H29 N O4 S -","- C360 H116 N4 O16 S4 -","4","1","","Masakazu Nambo; Yasutomo Segawa; Kenichiro Itami","Aziridinofullerene: A Versatile Platform for Functionalized Fullerenes","Journal of the American Chemical Society","2011","133","","2402","2405","10.1021/ja111213k","","","0.7107","MoKα","","0.3182","0.2606","","","0.5721","0.5962","","","","","","1.857","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105696","26.1251","0.0014","15.6936","0.0009","32.851","0.002","90","","109.296","0.001","90","","12712.2","1.3","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C65 H121 Br14 Cd10 N9 O19 Pt13 -","- C65 H121 Br14 Cd10 N9 O19 Pt13 -","- C260 H484 Br56 Cd40 N36 O76 Pt52 -","4","0.5","","Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Stefano Zacchini; Salvatore Zarra","Icosahedral Pt-Centered Pt13 and Pt19 Carbonyl Clusters Decorated by [Cd5(μ-Br)5Br5-x(solvent)x]x+ Rings Reminiscent of the Decoration of Au-Fe-CO and Au-Thiolate Nanoclusters: A Unifying Approach to Their Electron Counts","Journal of the American Chemical Society","2011","133","","2406","2409","10.1021/ja111235v","","","0.71073","MoKα","","0.0627","0.0345","","","0.0687","0.0803","","","","","","1.043","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105697","17.2308","0.0019","28.34","0.003","32.657","0.004","90","","97.478","0.002","90","","15811","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H84 Br14 Cd10 O25 P2 Pt19 -","- C79 H84 Br14 Cd10 O25 P2 Pt19 -","- C316 H336 Br56 Cd40 O100 P8 Pt76 -","4","1","","Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Stefano Zacchini; Salvatore Zarra","Icosahedral Pt-Centered Pt13 and Pt19 Carbonyl Clusters Decorated by [Cd5(μ-Br)5Br5-x(solvent)x]x+ Rings Reminiscent of the Decoration of Au-Fe-CO and Au-Thiolate Nanoclusters: A Unifying Approach to Their Electron Counts","Journal of the American Chemical Society","2011","133","","2406","2409","10.1021/ja111235v","","","0.71073","MoKα","","0.1825","0.0803","","","0.2003","0.2557","","","","","","1.015","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105698","3.983536","0.000016","3.983536","","17.64582","0.0001","90","","90","","90","","280.014","0.0019","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Co Cu1.89 O2 S2 Sr2 -","- Co Cu1.8902 O2 S2 Sr2 -","- Co2 Cu3.7804 O4 S4 Sr4 -","2","0.0625","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.67","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105699","3.99129","0.000016","3.99129","","17.71555","0.00009","90","","90","","90","","282.216","0.0018","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Co Cu1.98 O2 S2 Sr2 -","- Co Cu1.9806 O2 S2 Sr2 -","- Co2 Cu3.9612 O4 S4 Sr4 -","2","0.0625","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.82","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105700","10.9469","0.001","9.9127","0.0009","14.182","0.0014","90","","106.996","0.004","90","","1471.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cl2 Ni P2 S2 -","- C30 H34 Cl2 Ni P2 S2 -","- C60 H68 Cl4 Ni2 P4 S4 -","2","0.5","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","0.71073","MoKα","","0.0283","0.0239","","","0.0667","0.0688","","","","","","1.051","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105701","26.9346","0.0006","13.136","0.0003","25.7007","0.0008","90","","117.767","0.001","90","","8046.1","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Cl6 Ni O8 P2 S2 -","- C32 H36 Cl6 Ni O8 P2 S2 -","- C256 H288 Cl48 Ni8 O64 P16 S16 -","8","1","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","1.54178","CuKα","","0.0673","0.0576","","","0.1682","0.1752","","","","","","1.08","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105702","13.106","0.0002","13.9986","0.0002","14.1567","0.0002","97.644","0.001","112.096","0.001","93.661","0.001","2366.71","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H58 B2 F48 Ni P2 S2 -","- C94 H58 B2 F48 Ni P2 S2 -","- C94 H58 B2 F48 Ni P2 S2 -","1","0.5","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","0.71073","MoKα","","0.0708","0.042","","","0.0953","0.1036","","","","","","0.961","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105703","13.2709","0.0006","14.7678","0.0009","23.4392","0.0013","89.618","0.004","74.335","0.003","65.263","0.003","3987.4","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H38 B2 Cl4 F8 Ni P2 S2 -","- C32 H38 B2 Cl4 F8 Ni P2 S2 -","- C128 H152 B8 Cl16 F32 Ni4 P8 S8 -","4","2","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","0.71073","MoKα","","0.1379","0.0744","","","0.2034","0.2393","","","","","","0.988","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105704","10.363","0.008","14.232","0.012","11.796","0.01","90","","94.676","0.008","90","","1734","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 F12 Ni P4 S2 -","- C30 H34 F12 Ni P4 S2 -","- C60 H68 F24 Ni2 P8 S4 -","2","0.5","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","0.71073","MoKα","","0.038","0.0296","","","0.0758","0.0791","","","","","","1.001","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105705","10.2077","0.0003","13.9734","0.0004","11.4991","0.0003","90","","94.53","0.001","90","","1635.07","0.08","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cl2 Ni O8 P2 S2 -","- C30 H34 Cl2 Ni O8 P2 S2 -","- C60 H68 Cl4 Ni2 O16 P4 S4 -","2","0.5","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","0.71073","MoKα","","0.0418","0.0364","","","0.1037","0.1066","","","","","","1.079","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105706","15.378","0.002","9.702","0.0012","15.2472","0.0016","90","","105.465","0.01","90","","2192.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 Cl2 Ni P2 S2 -","- C52 H50 Cl2 Ni P2 S2 -","- C104 H100 Cl4 Ni2 P4 S4 -","2","0.5","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","1.54178","CuKα","","0.1466","0.0701","","","0.1357","0.1582","","","","","","0.82","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105707","11.5619","0.001","19.1526","0.0015","24.083","0.002","90","","93.397","0.007","90","","5323.6","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 Cl5 F6 Ni P3 S2 -","- C54 H54 Cl5 F6 Ni P3 S2 -","- C216 H216 Cl20 F24 Ni4 P12 S8 -","4","1","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","1.54178","CuKα","","0.1907","0.0879","","","0.2146","0.2447","","","","","","0.919","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105708","15.7062","0.0002","21.7494","0.0003","15.8611","0.0002","90","","99.135","0.001","90","","5349.44","0.12","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H50 F6 Ni O6 P2 S4 -","- C54 H50 F6 Ni O6 P2 S4 -","- C216 H200 F24 Ni4 O24 P8 S16 -","4","1","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","0.71073","MoKα","","0.0739","0.0563","","","0.1487","0.1605","","","","","","1.048","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105709","8.9481","0.0007","6.2416","0.0005","16.8398","0.0014","90","","94.779","0.002","90","","937.24","0.13","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H22 Cl N O2 -","- C21 H22 Cl N O2 -","- C42 H44 Cl2 N2 O4 -","2","1","","Ting Ma; Xiao Fu; Choon Wee Kee; Lili Zong; Yuanhang Pan; Kuo-Wei Huang; Choon-Hong Tan","Pentanidium-Catalyzed Enantioselective Phase-Transfer Conjugate Addition Reactions","Journal of the American Chemical Society","2011","133","","2828","2831","10.1021/ja1098353","","","0.71073","MoKα","","0.0513","0.0477","","","0.1205","0.1289","","","","","","1.078","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105710","10.1917","0.0004","17.7338","0.0007","20.2101","0.0008","90","","90","","90","","3652.7","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 Cl N5 O3 -","- C38 H46 Cl N5 O3 -","- C152 H184 Cl4 N20 O12 -","4","1","","Ting Ma; Xiao Fu; Choon Wee Kee; Lili Zong; Yuanhang Pan; Kuo-Wei Huang; Choon-Hong Tan","Pentanidium-Catalyzed Enantioselective Phase-Transfer Conjugate Addition Reactions","Journal of the American Chemical Society","2011","133","","2828","2831","10.1021/ja1098353","","","0.71073","MoKα","","0.0598","0.0523","","","0.1356","0.1418","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105711","29.831","0.003","33.225","0.004","34.49","0.004","70.125","0.01","80.486","0.009","63.721","0.01","28821","6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C498 H532 Cl34 N70 O87 -","- C498 H532 Cl34 N70 O87 -","- C996 H1064 Cl68 N140 O174 -","2","1","","Nicolas Delsuc; Stéphane Massip; Jean-Michel Léger; Brice Kauffmann; Ivan Huc","Relative Helix-Helix Conformations in Branched Aromatic Oligoamide Foldamers","Journal of the American Chemical Society","2011","133","","3165","3172","10.1021/ja110677a","","","1.54178","CuKα","","0.3196","0.2117","","","0.5216","0.5839","","","","","","1.139","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105712","21.925","0.004","27.301","0.005","28.332","0.006","91.736","0.006","106.69","0.005","97.015","0.005","16085","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C254 H244 Cl2 N38 O66 -","- C254 H244 Cl2 N38 O66 -","- C508 H488 Cl4 N76 O132 -","2","1","","Nicolas Delsuc; Stéphane Massip; Jean-Michel Léger; Brice Kauffmann; Ivan Huc","Relative Helix-Helix Conformations in Branched Aromatic Oligoamide Foldamers","Journal of the American Chemical Society","2011","133","","3165","3172","10.1021/ja110677a","","","0.849","synchrotron","","0.1989","0.1861","","","0.4393","0.4513","","","","","","1.121","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105713","47.509","0.01","29.741","0.006","33.604","0.007","90","","134.96","0.03","90","","33598","2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C310 H132 N46 O56 -","- C310 H132 N46 O56 -","- C1240 H528 N184 O224 -","4","1","","Nicolas Delsuc; Stéphane Massip; Jean-Michel Léger; Brice Kauffmann; Ivan Huc","Relative Helix-Helix Conformations in Branched Aromatic Oligoamide Foldamers","Journal of the American Chemical Society","2011","133","","3165","3172","10.1021/ja110677a","","","0.85","synchrotron","","0.2189","0.1694","","","0.3886","0.416","","","","","","1.023","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105714","16.361","0.0005","16.8722","0.0006","19.1403","0.0006","101.272","0.001","92.969","0.001","94.35","0.002","5154.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H34 Cl2 I6.02 N12 O0.98 W2 -","- C41 H34 Cl2 I6.02005 N12 O0.98095 W2 -","- C164 H136 Cl8 I24.0802 N48 O3.9238 W8 -","4","2","","Michael Nippe; Samuel M. Goodman; Charles G. Fry; John F. Berry","Chemically Reversible Four-Electron Oxidation and Reduction Utilizing Two Inorganic Functional Groups","Journal of the American Chemical Society","2011","133","","2856","2859","10.1021/ja1114248","","","0.71073","MoKα","","0.025","0.0224","","","0.0554","0.0565","","","","","","1.04","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105715","14.0857","0.0006","15.7157","0.0006","16.9784","0.0007","71.752","0.002","69.914","0.002","77.51","0.002","3327.3","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H65 B F3 N13 O5 S W2 -","- C71 H65 B F3 N13 O5 S W2 -","- C142 H130 B2 F6 N26 O10 S2 W4 -","2","1","","Michael Nippe; Samuel M. Goodman; Charles G. Fry; John F. Berry","Chemically Reversible Four-Electron Oxidation and Reduction Utilizing Two Inorganic Functional Groups","Journal of the American Chemical Society","2011","133","","2856","2859","10.1021/ja1114248","","","0.71073","MoKα","","0.0515","0.0495","","","0.1318","0.1337","","","","","","1.077","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105716","21.6413","0.001","12.797","0.0006","17.8278","0.0008","90","","120.848","0.002","90","","4238.8","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 F6 N12 O6 S2 W2 -","- C42 H32 F6 N12 O6 S2 W2 -","- C168 H128 F24 N48 O24 S8 W8 -","4","0.5","","Michael Nippe; Samuel M. Goodman; Charles G. Fry; John F. Berry","Chemically Reversible Four-Electron Oxidation and Reduction Utilizing Two Inorganic Functional Groups","Journal of the American Chemical Society","2011","133","","2856","2859","10.1021/ja1114248","","","0.71073","MoKα","","0.0163","0.0134","","","0.0318","0.033","","","","","","1.09","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105717","14.02","0.002","11.5941","0.0012","17.583","0.003","90","","108.598","0.019","90","","2708.9","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H41 N2 P Si3 -","- C21 H41 N2 P Si3 -","- C84 H164 N8 P4 Si12 -","4","1","","Shigeyoshi Inoue; Wenyuan, Wang; Carsten Präsang; Matthew Asay; Elisabeth Irran; Matthias Driess","An Ylide-like Phosphasilene and Striking Formation of a 4π-Electron, Resonance-Stabilized 2,4-Disila-1,3-diphosphacyclobutadiene","Journal of the American Chemical Society","2011","133","","2868","2871","10.1021/ja200462y","","","0.71073","MoKα","","0.1526","0.1033","","","0.2631","0.2751","","","","","","1.446","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105718","19.3556","0.0007","14.2399","0.0004","19.9777","0.0006","90","","90","","90","","5506.3","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H41 N2 P Si3 -","- C21 H41 N2 P Si3 -","- C168 H328 N16 P8 Si24 -","8","1","","Shigeyoshi Inoue; Wenyuan, Wang; Carsten Präsang; Matthew Asay; Elisabeth Irran; Matthias Driess","An Ylide-like Phosphasilene and Striking Formation of a 4π-Electron, Resonance-Stabilized 2,4-Disila-1,3-diphosphacyclobutadiene","Journal of the American Chemical Society","2011","133","","2868","2871","10.1021/ja200462y","","","0.71073","MoKα","","0.127","0.0571","","","0.0889","0.1032","","","","","","0.906","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105719","23.841","0.003","10.1993","0.0012","19.369","0.002","90","","108.346","0.012","90","","4470.4","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H60 N4 P2 Si2 -","- C44 H60 N4 P2 Si2 -","- C176 H240 N16 P8 Si8 -","4","0.5","","Shigeyoshi Inoue; Wenyuan, Wang; Carsten Präsang; Matthew Asay; Elisabeth Irran; Matthias Driess","An Ylide-like Phosphasilene and Striking Formation of a 4π-Electron, Resonance-Stabilized 2,4-Disila-1,3-diphosphacyclobutadiene","Journal of the American Chemical Society","2011","133","","2868","2871","10.1021/ja200462y","","","0.71073","MoKα","","0.0843","0.0618","","","0.1393","0.1489","","","","","","1.034","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105720","15.5534","0.0016","17.954","0.0018","20.918","0.002","90","","98.286","0.005","90","","5780.3","1","190","1","190","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H31.2 Cl3 Cu2 F24 N5 O9.6 -","- C44 H24 Cu2 F24 N4 O8 -","- C176 H96 Cu8 F96 N16 O32 -","4","1","","Tamara D. Hamilton; Dejan-Krešimir Bučar; Jonas Baltrusaitis; Douglas R. Flanagan; Yingjian Li; Suman Ghorai; Alexei V. Tivanski; Leonard R. MacGillivray","Thixotropic Hydrogel Derived from a Product of an Organic Solid-State Synthesis: Properties and Densities of Metal-Organic Nanoparticles","Journal of the American Chemical Society","2011","133","","3365","3371","10.1021/ja106095w","","","0.71069","MoKα","","0.1247","0.092","","","0.2511","0.2763","","","","","","1.083","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105721","10.3014","0.0011","10.6935","0.0008","10.837","0.0012","90","","116.249","0.004","90","","1070.68","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cl9 Hg6 In2 P3 -","- Cl9 Hg6 In2 P3 -","- Cl18 Hg12 In4 P6 -","2","1","","Xiao-Ming Jiang; Ming-Jian Zhang; Hui-Yi Zeng; Guo-Cong Guo; Jin-Shun Huang","Inorganic Supramolecular Compounds with 3-D Chiral Frameworks Show Potential as Both Mid-IR Second-Order Nonlinear Optical and Piezoelectric Materials","Journal of the American Chemical Society","2011","133","","3410","3418","10.1021/ja107921a","","","0.71073","MoKα","","0.0624","0.0592","","","0.1161","0.1185","","","","","","1.011","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4105722","11.3324","0.0004","11.3324","0.0004","42.768","0.004","90","","90","","120","","4756.6","0.5","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- As4 Bi3 Cl13 Hg8 -","- As4 Bi3 Cl13 Hg8 -","- As24 Bi18 Cl78 Hg48 -","6","1","","Xiao-Ming Jiang; Ming-Jian Zhang; Hui-Yi Zeng; Guo-Cong Guo; Jin-Shun Huang","Inorganic Supramolecular Compounds with 3-D Chiral Frameworks Show Potential as Both Mid-IR Second-Order Nonlinear Optical and Piezoelectric Materials","Journal of the American Chemical Society","2011","133","","3410","3418","10.1021/ja107921a","","","0.71073","MoKα","","0.0544","0.0499","","","0.1141","0.1179","","","","","","1.029","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4105723","13.2372","0.0008","13.2997","0.0009","14.6782","0.0009","91.803","0.005","112.666","0.005","105.47","0.005","2271.8","0.3","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H82 Br2 Cl16 Mn2 N12 Ni3 O14 -","- C74 H82 Br2 Cl16 Mn2 N12 Ni3 O14 -","- C74 H82 Br2 Cl16 Mn2 N12 Ni3 O14 -","1","0.5","","Animesh Das; Klaus Gieb; Yulia Krupskaya; Serhiy Demeshko; Sebastian Dechert; Rüdiger Klingeler; Vladislav Kataev; Bernd Büchner; Paul Müller; Franc Meyer","A New Family of 1D Exchange Biased Heterometal Single-Molecule Magnets: Observation of Pronounced Quantum Tunneling Steps in the Hysteresis Loops of Quasi-Linear {Mn2Ni3} Clusters","Journal of the American Chemical Society","2011","133","","3433","3443","10.1021/ja108740c","","","0.71073","MoKα","","0.07","0.055","","","0.1479","0.156","","","","","","1.038","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105724","18.723","0.003","18.723","0.003","5.7808","0.0012","90","","90","","90","","2026.5","0.6","133","2","133","2","","","","","","","","4","I -4","I -4","82","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C88 H96 N16 O16 -","8","1","","Animesh Das; Klaus Gieb; Yulia Krupskaya; Serhiy Demeshko; Sebastian Dechert; Rüdiger Klingeler; Vladislav Kataev; Bernd Büchner; Paul Müller; Franc Meyer","A New Family of 1D Exchange Biased Heterometal Single-Molecule Magnets: Observation of Pronounced Quantum Tunneling Steps in the Hysteresis Loops of Quasi-Linear {Mn2Ni3} Clusters","Journal of the American Chemical Society","2011","133","","3433","3443","10.1021/ja108740c","","","0.71073","MoKα","","0.0383","0.0365","","","0.0905","0.0916","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105725","13.3948","0.001","13.8821","0.001","14.6735","0.0012","90.078","0.006","115.446","0.006","108.25","0.006","2310.3","0.4","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H76 Cl18 Mn2 N12 Ni3 O14 -","- C74 H76 Cl18 Mn2 N12 Ni3 O14 -","- C74 H76 Cl18 Mn2 N12 Ni3 O14 -","1","0.5","","Animesh Das; Klaus Gieb; Yulia Krupskaya; Serhiy Demeshko; Sebastian Dechert; Rüdiger Klingeler; Vladislav Kataev; Bernd Büchner; Paul Müller; Franc Meyer","A New Family of 1D Exchange Biased Heterometal Single-Molecule Magnets: Observation of Pronounced Quantum Tunneling Steps in the Hysteresis Loops of Quasi-Linear {Mn2Ni3} Clusters","Journal of the American Chemical Society","2011","133","","3433","3443","10.1021/ja108740c","","","0.71073","MoKα","","0.1116","0.0905","","","0.2571","0.2672","","","","","","1.122","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105726","10.509","0.0005","19.7053","0.0007","20.8672","0.0009","90","","100.23","0.0015","90","","4252.5","0.3","173.1","","173.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Fe Mo N4 P4 -","- C44 H54 Fe Mo N4 P4 -","- C176 H216 Fe4 Mo4 N16 P16 -","4","1","","Hiromasa Tanaka; Akira Sasada; Tomohisa Kouno; Masahiro Yuki; Yoshihiro Miyake; Haruyuki Nakanishi; Yoshiaki Nishibayashi; Kazunari Yoshizawa","Molybdenum-Catalyzed Transformation of Molecular Dinitrogen into Silylamine: Experimental and DFT Study on the Remarkable Role of Ferrocenyldiphosphine Ligands","Journal of the American Chemical Society","2011","133","","3498","3506","10.1021/ja109181n","","","0.71075","MoKα","","","0.0508","","","","0.133","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105727","10.6333","0.0003","11.1091","0.0005","19.329","0.0011","101.818","0.006","98.509","0.002","98.229","0.003","2174.5","0.18","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H49 B F10 N P -","- C46.5 H49 B F10 N P -","- C93 H98 B2 F20 N2 P2 -","2","1","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.0606","0.052","","","0.1348","0.1431","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105728","19.5277","0.0008","6.5056","0.0003","18.7809","0.0006","90","","112.021","0.002","90","","2211.85","0.16","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 B F10 N -","- C24 H18 B F10 N -","- C96 H72 B4 F40 N4 -","4","1","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.0532","0.045","","","0.114","0.1214","","","","","","1.048","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105729","19.0148","0.0012","6.3803","0.0004","18.4629","0.001","90","","109.883","0.004","90","","2106.4","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 B F10 N -","- C23 H16 B F10 N -","- C92 H64 B4 F40 N4 -","4","1","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.0635","0.0593","","","0.1368","0.1396","","","","","","1.071","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105730","8.4497","0.0001","9.7617","0.0001","14.2402","0.0002","71.184","0.001","84.869","0.001","88.108","0.001","1107.34","0.02","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 B F10 N -","- C24 H16 B F10 N -","- C48 H32 B2 F20 N2 -","2","1","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.0519","0.0477","","","0.1288","0.1379","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105731","7.9357","0.0004","11.1685","0.0006","14.6427","0.0009","94.818","0.002","91.78","0.003","103.119","0.004","1257.76","0.12","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 B Cl2 F10 N -","- C24 H16 B Cl2 F10 N -","- C48 H32 B2 Cl4 F20 N2 -","2","1","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.0765","0.0673","","","0.1833","0.1941","","","","","","1.03","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105732","16.518","0.0008","15.2872","0.0006","25.872","0.0011","90","","103.496","0.004","90","","6352.6","0.5","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H32 B F10 N -","- C34.5 H32 B F10 N -","- C276 H256 B8 F80 N8 -","8","1","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.0696","0.0516","","","0.1259","0.14","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105733","9.4976","0.0005","12.4411","0.0008","12.8064","0.0008","88.834","0.004","78.248","0.003","74.602","0.005","1427.4","0.15","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.5 H20 B Cl2 F10 N -","- C24.5 H20 B Cl2 F10 N -","- C49 H40 B2 Cl4 F20 N2 -","2","1","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.0909","0.0792","","","0.2429","0.2608","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105734","20.4261","0.0007","10.3146","0.0003","31.7887","0.0011","90","","103.898","0.002","90","","6501.4","0.4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 B F10 N O2 -","- C35 H32 B F10 N O2 -","- C280 H256 B8 F80 N8 O16 -","8","2","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.1585","0.0795","","","0.2058","0.2648","","","","","","1.014","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105735","19.6639","0.0015","8.7482","0.0007","17.194","0.0013","90","","108.577","0.0009","90","","2803.7","0.4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 S4 Si2 U -","- C24 H40 S4 Si2 U -","- C96 H160 S16 Si8 U4 -","4","0.5","","Nathan A. Siladke; Joseph W. Ziller; William J. Evans","Insertion, Isomerization, and Cascade Reactivity of the Tethered Silylalkyl Uranium Metallocene (η5-C5Me4SiMe2CH2-κC)2U","Journal of the American Chemical Society","2011","133","","3507","3516","10.1021/ja109491k","","","0.71073","MoKα","","0.0181","0.0162","","","0.0369","0.0376","","","","","","1.094","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105736","14.9569","0.0009","19.1828","0.0011","24.774","0.0015","90","","95.2545","0.0007","90","","7078.2","0.7","148","2","148","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H108 N4 O4 Si4 U2 -","- C66 H108 N4 O4 Si4 U2 -","- C264 H432 N16 O16 Si16 U8 -","4","0.5","","Nathan A. Siladke; Joseph W. Ziller; William J. Evans","Insertion, Isomerization, and Cascade Reactivity of the Tethered Silylalkyl Uranium Metallocene (η5-C5Me4SiMe2CH2-κC)2U","Journal of the American Chemical Society","2011","133","","3507","3516","10.1021/ja109491k","","","0.71073","MoKα","","0.0201","0.0175","","","0.0434","0.0444","","","","","","1.044","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105737","10.8031","0.0006","12.6268","0.0007","14.8665","0.0008","92.118","0.0006","91.9633","0.0006","112.882","0.0005","1864.45","0.18","148","2","148","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H63 N3 Si2 U -","- C36 H63 N3 Si2 U -","- C72 H126 N6 Si4 U2 -","2","1","","Nathan A. Siladke; Joseph W. Ziller; William J. Evans","Insertion, Isomerization, and Cascade Reactivity of the Tethered Silylalkyl Uranium Metallocene (η5-C5Me4SiMe2CH2-κC)2U","Journal of the American Chemical Society","2011","133","","3507","3516","10.1021/ja109491k","","","0.71073","MoKα","","0.0162","0.0158","","","0.0399","0.0401","","","","","","1.04","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105738","10.0856","0.0005","17.4636","0.0009","19.6548","0.001","90","","104.761","0.0007","90","","3347.6","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 N2 Si2 U -","- C34 H58 N2 Si2 U -","- C136 H232 N8 Si8 U4 -","4","1","","Nathan A. Siladke; Joseph W. Ziller; William J. Evans","Insertion, Isomerization, and Cascade Reactivity of the Tethered Silylalkyl Uranium Metallocene (η5-C5Me4SiMe2CH2-κC)2U","Journal of the American Chemical Society","2011","133","","3507","3516","10.1021/ja109491k","","","0.71073","MoKα","","0.0739","0.0326","","","0.0636","0.0744","","","","","","1.013","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105739","9.3905","0.0012","9.3905","0.0012","36.349","0.005","90","","90","","120","","2775.9","0.6","103","2","103","2","","","","","","","","5","P 31 2 1","P 31 2""","152","GWA281","toste22","","- C19 H20 N2 O4 S -","- C19 H20 N2 O4 S -","- C114 H120 N12 O24 S6 -","6","1","","Asa D. Melhado; Giovanni W. Amarante; Z. Jane Wang; Marco Luparia; F. Dean Toste","Gold(I)-Catalyzed Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition and Mannich Reactions of Azlactones","Journal of the American Chemical Society","2011","133","","3517","3527","10.1021/ja1095045","","","0.71073","MoKα","","0.0289","0.0266","","","0.0677","0.0692","","","","","","1.046","","","","has coordinates","278043","2022-09-21","13:11:05",""
"4105740","6.4038","0.0002","19.3388","0.0005","22.3333","0.0005","90","","90","","90","","2765.8","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","GWA303","toste23","","- C26 H26 N2 O4 S -","- C26 H26 N2 O4 S -","- C104 H104 N8 O16 S4 -","4","1","","Asa D. Melhado; Giovanni W. Amarante; Z. Jane Wang; Marco Luparia; F. Dean Toste","Gold(I)-Catalyzed Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition and Mannich Reactions of Azlactones","Journal of the American Chemical Society","2011","133","","3517","3527","10.1021/ja1095045","","","1.54178","CuKα","","0.0782","0.0765","","","0.1738","0.1748","","","","","","1.089","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4105741","13.6511","0.0006","13.6511","0.0006","26.5755","0.0012","90","","90","","90","","4952.4","0.4","143","2","143","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C50 H52 Au2 Cl4 P2 -","- C50 H50 Au2 Cl4.004 P2 -","- C200 H200 Au8 Cl16.016 P8 -","4","0.5","","Asa D. Melhado; Giovanni W. Amarante; Z. Jane Wang; Marco Luparia; F. Dean Toste","Gold(I)-Catalyzed Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition and Mannich Reactions of Azlactones","Journal of the American Chemical Society","2011","133","","3517","3527","10.1021/ja1095045","","","0.71073","MoKα","","0.0162","0.0152","","","0.0413","0.0419","","","","","","1.03","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105742","12.415","0.004","14.797","0.005","17.908","0.006","113.658","0.005","97.462","0.006","105.884","0.005","2788.9","1.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C48 H58 B Co F6 Fe N13 O2 P -","- C48 H58 B Co F6 Fe N13 O2 P -","- C96 H116 B2 Co2 F12 Fe2 N26 O4 P2 -","2","1","","Masayuki Nihei; Yoshihiro Sekine; Naoki Suganami; Kento Nakazawa; Akiko Nakao; Hironori Nakao; Youichi Murakami; Hiroki Oshio","Controlled Intramolecular Electron Transfers in Cyanide-Bridged Molecular Squares by Chemical Modifications and External Stimuli","Journal of the American Chemical Society","2011","133","","3592","3600","10.1021/ja109721w","","","0.71073","MoKα","","0.0872","0.0691","","","0.2065","0.2238","","","","","","1.067","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105743","49.4505","0.0012","38.6559","0.001","29.9596","0.0009","90","","113.884","0.0008","90","","52365","2","298","2","298","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C220 H296 B4 Co4 F24 Fe4 N52 O4 P4 -","- C220 H296 B4 Co4 F24 Fe4 N52 O4 P4 -","- C1760 H2368 B32 Co32 F192 Fe32 N416 O32 P32 -","8","1","","Masayuki Nihei; Yoshihiro Sekine; Naoki Suganami; Kento Nakazawa; Akiko Nakao; Hironori Nakao; Youichi Murakami; Hiroki Oshio","Controlled Intramolecular Electron Transfers in Cyanide-Bridged Molecular Squares by Chemical Modifications and External Stimuli","Journal of the American Chemical Society","2011","133","","3592","3600","10.1021/ja109721w","","","1","synchrotron","","0.2235","0.1817","","","0.5003","0.5346","","","","","","1.754","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105744","14.255","0.006","12.02","0.005","25.401","0.011","90","","105.657","0.009","90","","4191","3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C39 H42 B Co F6 Fe N13 O P -","- C39 H42 B Co F6 Fe N13 O P -","- C156 H168 B4 Co4 F24 Fe4 N52 O4 P4 -","4","1","","Masayuki Nihei; Yoshihiro Sekine; Naoki Suganami; Kento Nakazawa; Akiko Nakao; Hironori Nakao; Youichi Murakami; Hiroki Oshio","Controlled Intramolecular Electron Transfers in Cyanide-Bridged Molecular Squares by Chemical Modifications and External Stimuli","Journal of the American Chemical Society","2011","133","","3592","3600","10.1021/ja109721w","","","0.71073","MoKα","","0.0847","0.0646","","","0.1295","0.1374","","","","","","1.132","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105745","12.04","0.0012","22.7606","0.0018","13.3116","0.0013","90","","110.433","0.002","90","","3418.4","0.6","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 F3 I P2 Pd -","- C38 H30 F3 I P2 Pd -","- C152 H120 F12 I4 P8 Pd4 -","4","1","","Masato Ohashi; Tadashi Kambara; Tsubasa Hatanaka; Hiroki Saijo; Ryohei Doi; Sensuke Ogoshi","Palladium-Catalyzed Coupling Reactions of Tetrafluoroethylene with Arylzinc Compounds","Journal of the American Chemical Society","2011","133","","3256","3259","10.1021/ja109911p","","","0.71075","MoKα","","0.1727","0.0746","","","0.1186","0.1516","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105746","18.0191","0.0009","9.5138","0.0005","20.8353","0.0011","90","","91.319","0.0018","90","","3570.9","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C83 H60 F8 P4 Pd2 -","- C83 H60 F8 P4 Pd2 -","- C166 H120 F16 P8 Pd4 -","2","0.5","","Masato Ohashi; Tadashi Kambara; Tsubasa Hatanaka; Hiroki Saijo; Ryohei Doi; Sensuke Ogoshi","Palladium-Catalyzed Coupling Reactions of Tetrafluoroethylene with Arylzinc Compounds","Journal of the American Chemical Society","2011","133","","3256","3259","10.1021/ja109911p","","","0.71075","MoKα","","0.0437","0.036","","","0.0788","0.0832","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4105747","9.772","0.0012","10.0074","0.0012","24.521","0.003","90","","90","","90","","2398","0.5","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 N O -","- C31 H27 N O -","- C124 H108 N4 O4 -","4","1","","Yoshiaki Nakao; Eiji Morita; Hiroaki Idei; Tamejiro Hiyama","Dehydrogenative [4 + 2] Cycloaddition of Formamides with Alkynes through Double C-H Activation","Journal of the American Chemical Society","2011","133","","3264","3267","10.1021/ja1102037","","","0.71073","MoKα","","0.0452","0.0391","","","0.1029","0.1057","","","","","","1.053","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105748","9.7598","0.0006","10.5782","0.0006","24.5736","0.0014","90","","90","","90","","2537","0.3","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N O Si -","- C28 H31 N O Si -","- C112 H124 N4 O4 Si4 -","4","1","","Yoshiaki Nakao; Eiji Morita; Hiroaki Idei; Tamejiro Hiyama","Dehydrogenative [4 + 2] Cycloaddition of Formamides with Alkynes through Double C-H Activation","Journal of the American Chemical Society","2011","133","","3264","3267","10.1021/ja1102037","","","0.71073","MoKα","","0.0682","0.0597","","","0.1678","0.1731","","","","","","1.025","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105749","11.0019","0.0007","17.2179","0.0011","10.9544","0.0007","90","","91.746","0.001","90","","2074.1","0.2","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O -","- C24 H29 N O -","- C96 H116 N4 O4 -","4","1","","Yoshiaki Nakao; Eiji Morita; Hiroaki Idei; Tamejiro Hiyama","Dehydrogenative [4 + 2] Cycloaddition of Formamides with Alkynes through Double C-H Activation","Journal of the American Chemical Society","2011","133","","3264","3267","10.1021/ja1102037","","","0.71073","MoKα","","0.0673","0.0551","","","0.1606","0.1666","","","","","","1.099","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105750","19.4713","0.0012","21.8175","0.0013","38.491","0.002","77.593","0.001","87.137","0.001","64.968","0.001","14454.2","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C285.5 H373 Cl27 N16 O36.5 -","- C285.5 H373 Cl27 N16 O36.5 -","- C571 H746 Cl54 N32 O73 -","2","1","","Junling Sun; James L. Bennett; Thomas J. Emge; Ralf Warmuth","Thermodynamically Controlled Synthesis of a Chiral Tetra-cavitand Nanocapsule and Mechanism of Enantiomerization.","Journal of the American Chemical Society","2011","133","","3268","3271","10.1021/ja110475w","","","0.71073","MoKα","","0.1671","0.124","","","0.3483","0.3855","","","","","","1.435","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105751","10.6295","0.0008","14.1773","0.0011","14.8586","0.0012","96.988","0.0015","106.604","0.0015","105.952","0.0016","2013.9","0.3","223.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H44 O2 P2 Pd2 -","- C45 H44 O2 P2 Pd2 -","- C90 H88 O4 P4 Pd4 -","2","1","","Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito","Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2","Journal of the American Chemical Society","2011","133","","3280","3283","10.1021/ja110708k","","","0.71075","MoKα","","","0.0485","","","","0.0959","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105752","13.218","0.002","10.4537","0.0016","17.73","0.003","90","","110.013","0.003","90","","2301.9","0.6","223.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H40 P2 Pd2 -","- C18 H40 P2 Pd2 -","- C72 H160 P8 Pd8 -","4","1","","Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito","Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2","Journal of the American Chemical Society","2011","133","","3280","3283","10.1021/ja110708k","","","0.71075","MoKα","","","0.0472","","","","0.0894","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105753","13.942","0.003","13.634","0.003","14.518","0.003","90","","116.264","0.005","90","","2474.8","0.9","223.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H44 P2 Pd2 -","- C20 H44 P2 Pd2 -","- C80 H176 P8 Pd8 -","4","1","","Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito","Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2","Journal of the American Chemical Society","2011","133","","3280","3283","10.1021/ja110708k","","","0.71075","MoKα","","","0.0664","","","","0.1076","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105754","19.5182","0.0011","12.1763","0.0007","24.6715","0.0012","90","","107.442","0.004","90","","5593.8","0.5","223","","223","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C60 H82 N4 Pd2 -","- C60 H82 N4 Pd2 -","- C240 H328 N16 Pd8 -","4","0.5","","Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito","Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2","Journal of the American Chemical Society","2011","133","","3280","3283","10.1021/ja110708k","","","0.71075","MoKα","","","0.051","","","","0.095","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105755","14.9251","0.002","12.7222","0.0016","25.002","0.003","90","","90.531","0.006","90","","4747.2","1","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 N4 Pd -","- C54 H72 N4 Pd -","- C216 H288 N16 Pd4 -","4","1","","Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito","Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2","Journal of the American Chemical Society","2011","133","","3280","3283","10.1021/ja110708k","","","0.71075","MoKα","","","0.0855","","","","0.1581","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105756","9.659","0.002","11.105","0.003","10.452","0.003","90","","106.529","0.008","90","","1074.8","0.5","223","","223","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H32 O2 P2 Pd2 -","- C15 H32 O2 P2 Pd2 -","- C30 H64 O4 P4 Pd4 -","2","1","","Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito","Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2","Journal of the American Chemical Society","2011","133","","3280","3283","10.1021/ja110708k","","","0.71075","MoKα","","","0.0239","","","","0.0438","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105757","5.8343","0.0015","7.5006","0.0019","23.903","0.006","90","","94.66","0.004","90","","1042.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 I O2 -","- C12 H7 I O2 -","- C48 H28 I4 O8 -","4","1","","Yuta Fujiwara; Victoriano Domingo; Ian B. Seiple; Ryan Gianatassio; Matthew Del Bel; Phil S. Baran","Practical C-H Functionalization of Quinones with Boronic Acids","Journal of the American Chemical Society","2011","133","","3292","3295","10.1021/ja111152z","","","0.71073","MoKα","","0.028","0.0231","","","0.052","0.0549","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105758","5.4994","0.0001","11.142","0.0002","21.8188","0.0004","90","","90","","90","","1336.93","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Xin Cui; Xue Xu; Hongjian Lu; Shifa Zhu; Lukasz Wojtas; X. Peter Zhang","Enantioselective Cyclopropenation of Alkynes with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis","Journal of the American Chemical Society","2011","133","","3304","3307","10.1021/ja111334j","","","1.54178","CuKα","","0.0347","0.0329","","","0.0827","0.084","","","","","","1.072","","","","has coordinates","273003","2022-02-17","12:14:56",""
"4105759","5.766","0.0001","13.9219","0.0002","18.1101","0.0002","90","","90","","90","","1453.76","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Br N O2 -","- C15 H14 Br N O2 -","- C60 H56 Br4 N4 O8 -","4","1","","Xin Cui; Xue Xu; Hongjian Lu; Shifa Zhu; Lukasz Wojtas; X. Peter Zhang","Enantioselective Cyclopropenation of Alkynes with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis","Journal of the American Chemical Society","2011","133","","3304","3307","10.1021/ja111334j","","","1.54178","CuKα","","0.0211","0.0208","","","0.0524","0.0525","","","","","","1.094","","","","has coordinates","273003","2022-02-17","12:14:56",""
"4105760","5.5837","0.0002","11.977","0.0004","26.7431","0.0009","90","","90","","90","","1788.47","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 S -","- C18 H23 N O2 S -","- C72 H92 N4 O8 S4 -","4","1","","Xin Cui; Xue Xu; Hongjian Lu; Shifa Zhu; Lukasz Wojtas; X. Peter Zhang","Enantioselective Cyclopropenation of Alkynes with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis","Journal of the American Chemical Society","2011","133","","3304","3307","10.1021/ja111334j","","","1.54178","CuKα","","0.0382","0.0347","","","0.0862","0.088","","","","","","1.049","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105761","10.9975","0.0008","12.0887","0.0009","21.6801","0.0014","94.415","0.004","94.031","0.004","116.913","0.004","2544.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H43 O2 P Pd -","- C24 H43 O2 P Pd -","- C96 H172 O8 P4 Pd4 -","4","2","","Yichen Tan; John F. Hartwig","Assessment of the Intermediacy of Arylpalladium Carboxylate Complexes in the Direct Arylation of Benzene: Evidence for C-H Bond Cleavage by ""Ligandless"" Species","Journal of the American Chemical Society","2011","133","","3308","3311","10.1021/ja1113936","","","0.71073","MoKα","","0.0726","0.0564","","","0.1571","0.1778","","","","","","1.019","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105762","9.4246","0.0011","17.954","0.002","11.732","0.0014","90","","110.801","0.002","90","","1855.8","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H43 B Cl2 F4 N2 -","- C41 H43 B Cl2 F4 N2 -","- C82 H86 B2 Cl4 F8 N4 -","2","1","","Erika M. Vieira; Marc L. Snapper; Amir H. Hoveyda","Enantioselective Synthesis of Homoallylic Amines through Reactions of (Pinacolato)allylborons with Aryl-, Heteroaryl-, Alkyl-, or Alkene-Substituted Aldimines Catalyzed by Chiral C1-Symmetric NHC-Cu Complexes","Journal of the American Chemical Society","2011","133","","3332","3335","10.1021/ja200311n","","","0.71073","MoKα","","0.0614","0.0554","","","0.1518","0.1581","","","","","","1.044","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105763","8.6853","0.0005","11.3946","0.0006","20.2971","0.0011","74.297","0.003","79.005","0.003","89.123","0.003","1896.84","0.18","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H22 N O P -","- C22 H22 N O P -","- C88 H88 N4 O4 P4 -","4","4","","Erika M. Vieira; Marc L. Snapper; Amir H. Hoveyda","Enantioselective Synthesis of Homoallylic Amines through Reactions of (Pinacolato)allylborons with Aryl-, Heteroaryl-, Alkyl-, or Alkene-Substituted Aldimines Catalyzed by Chiral C1-Symmetric NHC-Cu Complexes","Journal of the American Chemical Society","2011","133","","3332","3335","10.1021/ja200311n","","","0.71073","MoKα","","0.0966","0.059","","","0.1352","0.156","","","","","","1","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105764","10.6174","0.001","10.85","0.001","23.503","0.002","84.54","0.002","83.122","0.002","75.734","0.002","2599.1","0.4","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C49 H81 Fe3 N6 O Si3 -","- C49 H81 Fe3 N6 O Si3 -","- C98 H162 Fe6 N12 O2 Si6 -","2","1","","Tamara M. Powers; Alison R. Fout; Shao-Liang Zheng; Theodore A. Betley","Oxidative Group Transfer to a Triiron Complex to Form a Nucleophilic μ3-Nitride, [Fe3(μ3-N)]-","Journal of the American Chemical Society","2011","133","","3336","3338","10.1021/ja2003445","","","0.71073","MoKα","","0.0532","0.0378","","","0.0852","0.093","","","","","","1.027","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105765","26.559","0.003","11.6673","0.0011","23.123","0.002","90","","108.849","0.002","90","","6780.9","1.2","100","1","100","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C62 H111 Fe3 N8 O Si3 -","- C62 H111 Fe3 N8 O Si3 -","- C248 H444 Fe12 N32 O4 Si12 -","4","1","","Tamara M. Powers; Alison R. Fout; Shao-Liang Zheng; Theodore A. Betley","Oxidative Group Transfer to a Triiron Complex to Form a Nucleophilic μ3-Nitride, [Fe3(μ3-N)]-","Journal of the American Chemical Society","2011","133","","3336","3338","10.1021/ja2003445","","","0.71073","MoKα","","0.0777","0.0492","","","0.095","0.1047","","","","","","1.037","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105766","10.057","0.002","11.562","0.003","20.327","0.004","82.832","0.004","89.866","0.004","89.039","0.004","2344.8","0.9","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C43 H69 Fe3 N7 Si3 -","- C43 H69 Fe3 N7 Si3 -","- C86 H138 Fe6 N14 Si6 -","2","1","","Tamara M. Powers; Alison R. Fout; Shao-Liang Zheng; Theodore A. Betley","Oxidative Group Transfer to a Triiron Complex to Form a Nucleophilic μ3-Nitride, [Fe3(μ3-N)]-","Journal of the American Chemical Society","2011","133","","3336","3338","10.1021/ja2003445","","","0.71073","MoKα","","0.2186","0.1196","","","0.275","0.3115","","","","","","1.074","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105767","24.281","0.003","14.6355","0.0014","31.244","0.004","90","","101.259","0.009","90","","10889","2","138","2","138","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C119 H82 Cl6 Cu4 I4 N12 -","- C119 H82 Cl6 Cu4 I4 N12 -","- C476 H328 Cl24 Cu16 I16 N48 -","4","1","","Zhiwei Liu; Munzarin F. Qayyum; Chao Wu; Matthew T. Whited; Peter I. Djurovich; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Mark E. Thompson","A Codeposition Route to CuI-Pyridine Coordination Complexes for Organic Light-Emitting Diodes","Journal of the American Chemical Society","2011","133","","3700","3703","10.1021/ja1065653","","","0.71073","MoKα","","0.1008","0.0538","","","0.1133","0.1254","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105768","8.074","0.0003","16.133","0.0007","18.627","0.0008","90","","100.591","0.0019","90","","2384.98","0.17","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CoIIITren","CoIIITren","","- C13 H28 Co F12 N5 P2 S -","- C13 H28 Co F12 N5 P2 S -","- C52 H112 Co4 F48 N20 P8 S4 -","4","1","","Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs","Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates","Journal of the American Chemical Society","2011","133","","3954","3963","10.1021/ja108749f","","","0.71073","MoKα","","0.1544","0.0507","","","0.0747","0.0891","","","","","","1.001","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105769","13.489","0.0007","8.7463","0.0012","15.1258","0.0013","90","0.004","90","0.005","90","0.003","1784.5","0.3","130","2","130","2","","","","","","","","8","P n m a","-P 2ac 2n","62","CDS011","CDS011","","- C11 H26 Co F6 N4 O P S -","- C11 H26 Co F6 N4 O P S -","- C44 H104 Co4 F24 N16 O4 P4 S4 -","4","0.5","","Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs","Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates","Journal of the American Chemical Society","2011","133","","3954","3963","10.1021/ja108749f","","","0.71073","MoKα","","0.1203","0.0749","","","0.1521","0.1731","","","","","","1.055","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105770","7.576","0.0006","14.5673","0.0013","18.378","0.0018","90","","90","","90","","2028.2","0.3","130","2","130","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","CDS002","CDS002","","- C13 H29 Co F6 N5 O P S -","- C13 H29 Co F6 N5 O P S -","- C52 H116 Co4 F24 N20 O4 P4 S4 -","4","1","","Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs","Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates","Journal of the American Chemical Society","2011","133","","3954","3963","10.1021/ja108749f","","","0.71073","MoKα","","0.1","0.0565","","","0.11","0.1281","","","","","","1.073","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105771","8.579","0.0008","8.356","0.002","34.839","0.008","90","","90.581","0.01","90","","2497.3","0.9","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CDS023","CDS023","","- C15 H30 Co F6 N5 O8 S2 -","- C15 H30 Co F6 N5 O8 S2 -","- C60 H120 Co4 F24 N20 O32 S8 -","4","1","","Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs","Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates","Journal of the American Chemical Society","2011","133","","3954","3963","10.1021/ja108749f","","","0.71073","MoKα","","0.0746","0.051","","","0.1166","0.1263","","","","","","1.04","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105772","8.4743","0.0002","9.9717","0.0003","19.2114","0.0006","92.846","0.002","94.772","0.002","114.413","0.0012","1466.82","0.07","130","2","130","2","","","","","","","","7","P 1","P 1","1","CDS021","CDS021","","- C36 H65 Co2 F12 N13 O14 S4 -","- C36 H65 Co2 F12 N13 O14 S4 -","- C36 H65 Co2 F12 N13 O14 S4 -","1","1","","Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs","Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates","Journal of the American Chemical Society","2011","133","","3954","3963","10.1021/ja108749f","","","0.71073","MoKα","","0.0622","0.0556","","","0.1422","0.148","","","","","","1.092","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105773","5.7947","0.0002","8.2165","0.0003","26.4454","0.0011","90","","90","","90","","1259.12","0.08","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O -","- C17 H16 O -","- C68 H64 O4 -","4","1","","Magnus Rueping; Uxue Uria; Ming-Yuan Lin; Iuliana Atodiresei","Chiral Organic Contact Ion Pairs in Metal-Free Catalytic Asymmetric Allylic Substitutions","Journal of the American Chemical Society","2011","133","","3732","3735","10.1021/ja110213t","","","1.54178","CuKα","","0.025","0.025","","0.03","","0.03","","","3.137","","","3.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105774","11.106","0.005","11.266","0.005","11.436","0.005","98.365","0.002","111.26","0.004","105.751","0.005","1235.1","1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H29 B Br2 O3 Si -","- C22 H29 B Br2 O3 Si -","- C44 H58 B2 Br4 O6 Si2 -","2","1","","Kazuta Ito; Hiroto Tamashima; Nobuharu Iwasawa; Hiroyuki Kusama","Photochemically Promoted Transition Metal-Free Cross-Coupling of Acylsilanes with Organoboronic Esters","Journal of the American Chemical Society","2011","133","","3716","3719","10.1021/ja1102597","","","0.71073","MoKα","","0.0712","0.0499","","","0.1085","0.1255","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105775","12.285","0.0008","16.5578","0.001","16.7837","0.0008","74.767","0.005","71.089","0.005","70.386","0.006","2996.6","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H24 O -","- C17 H24 O -","- C136 H192 O8 -","8","4","","Guobi Chai; Shangze Wu; Chunling Fu; Shengming Ma","A Straightforward Synthesis of Cyclobutenones via a Tandem Michael Addition/Cyclization Reaction of 2,3-Allenoates with Organozincs","Journal of the American Chemical Society","2011","133","","3740","3743","10.1021/ja1108694","","","1.54184","CuKα","","0.1135","0.0717","","","0.2006","0.2317","","","","","","1.038","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105776","9.0113","0.0012","9.5129","0.0012","16.236","0.002","90","","96.7","0.004","90","","1382.3","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O -","- C18 H16 O -","- C72 H64 O4 -","4","1","","Guobi Chai; Shangze Wu; Chunling Fu; Shengming Ma","A Straightforward Synthesis of Cyclobutenones via a Tandem Michael Addition/Cyclization Reaction of 2,3-Allenoates with Organozincs","Journal of the American Chemical Society","2011","133","","3740","3743","10.1021/ja1108694","","","0.71073","MoKα","","0.0432","0.0386","","","0.106","0.1129","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105777","21.784","0.003","10.1799","0.0013","8.4941","0.001","90","","90","","90","","1883.6","0.4","125","2","125","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H31 P3 S W -","- C13 H31 P3 S W -","- C52 H124 P12 S4 W4 -","4","1","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.0391","0.0264","","","0.043","0.0456","","","","","","1.001","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105778","16.282","0.003","32.499","0.006","9.152","0.0016","90","","90","","90","","4842.8","1.5","149","2","149","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H42 P4 S W -","- C16 H42 P4 S W -","- C128 H336 P32 S8 W8 -","8","1","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.0386","0.0276","","","0.0535","0.0568","","","","","","1.042","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105779","14.6865","0.0016","19.5","0.002","18.62","0.002","90","","105.02","0.002","90","","5150.3","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H42 P4 S W -","- C20 H42 P4 S W -","- C160 H336 P32 S8 W8 -","8","2","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.0514","0.042","","","0.0994","0.105","","","","","","1.046","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105780","18.507","0.002","15.22","0.002","19.118","0.003","90","","98.724","0.002","90","","5322.8","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H44 P4 S W -","- C20 H44 P4 S W -","- C160 H352 P32 S8 W8 -","8","2","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.0786","0.0514","","","0.1065","0.1177","","","","","","1.038","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105781","9.6343","0.0011","12.1821","0.0014","13.596","0.0015","85.772","0.002","72.371","0.002","68.587","0.001","1414.6","0.3","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H48 P4 S W -","- C20 H48 P4 S W -","- C40 H96 P8 S2 W2 -","2","1","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.029","0.0239","","","0.0493","0.0508","","","","","","1.013","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105782","8.997","0.0013","10.0679","0.0015","15.782","0.002","80.769","0.002","73.792","0.002","84.386","0.002","1352.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H44 P4 S W -","- C20 H44 P4 S W -","- C40 H88 P8 S2 W2 -","2","1","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.0688","0.0434","","","0.0685","0.075","","","","","","1.022","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105783","10.2637","0.0011","21.784","0.002","16.7801","0.0018","90","","94.326","0.002","90","","3741.1","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H58 P6 S W2 -","- C29 H58 P6 S W2 -","- C116 H232 P24 S4 W8 -","4","1","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.0371","0.0253","","","0.0517","0.0556","","","","","","1.017","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105784","17.396","0.004","25.696","0.006","22.829","0.004","90","","130.765","0.011","90","","7729","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H134 Ag16 N11 O60 P8 V8 -","- C84 H128 Ag16 N11 O60 P8 V8 -","- C168 H256 Ag32 N22 O120 P16 V16 -","2","0.5","","Yun-Peng Xie; Thomas C. W. Mak","Silver(I)-Ethynide Clusters Constructed with Phosphonate-Functionized Polyoxovanadates","Journal of the American Chemical Society","2011","133","","3760","3763","10.1021/ja1112035","","","0.71073","MoKα","","0.128","0.0675","","","0.1773","0.2292","","","","","","1.032","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105785","23.597","0.007","23.139","0.007","33.025","0.01","90","","99.636","0.006","90","","17778","9","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C233 H284 Ag43 N11 O97 P12 V18 -","- C233 H280 Ag43 N11 O97 P12 V18 -","- C466 H560 Ag86 N22 O194 P24 V36 -","2","1","","Yun-Peng Xie; Thomas C. W. Mak","Silver(I)-Ethynide Clusters Constructed with Phosphonate-Functionized Polyoxovanadates","Journal of the American Chemical Society","2011","133","","3760","3763","10.1021/ja1112035","","","0.71073","MoKα","","0.0791","0.0506","","","0.1235","0.1434","","","","","","1.067","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105786","8.3414","0.0002","16.7694","0.0004","21.3895","0.0005","94.67","0.001","91.852","0.001","103.881","0.001","2890.79","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H36 N2 O8 Rh2 -","- C29 H36 N2 O8 Rh2 -","- C116 H144 N8 O32 Rh8 -","4","2","","Kwak, Jaesung; Kim, Min; Chang, Sukbok","Rh(NHC)-Catalyzed Direct and Selective Arylation of Quinolines at the 8-Position","Journal of the American Chemical Society","2011","133","11","3780","3783","10.1021/ja111670s","","","0.71073","MoKα","","0.0787","0.0511","","","0.1189","0.1376","","","","","","1.079","","","","has coordinates","219277","2020-10-21","18:00:00",""
"4105787","11.6254","0.0012","12.3668","0.0012","12.9283","0.0013","102.254","0.001","110.145","0.001","110.139","0.001","1518.5","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H98 N6 O2 Si8 Y2 -","- C39 H88 N6 O2 Si8 Y2 -","- C39 H88 N6 O2 Si8 Y2 -","1","0.5","","Ming Fang; David S. Lee; Joseph W. Ziller; Robert J. Doedens; Jefferson E. Bates; Filipp Furche; William J. Evans","Synthesis of the (N2)3- Radical from Y2+ and Its Protonolysis Reactivity To Form (N2H2)2- via the Y[N(SiMe3)2]3/KC8 Reduction System","Journal of the American Chemical Society","2011","133","","3784","3787","10.1021/ja1116827","","","0.71073","MoKα","","0.0584","0.0423","","","0.1077","0.1169","","","","","","1.031","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105788","12.6045","0.0009","20.6981","0.0015","10.7025","0.0008","90","","100.839","0.001","90","","2742.4","0.3","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H90 N6 O2 Si8 Y2 -","- C32 H88 N6 O2 Si8 Y2 -","- C64 H176 N12 O4 Si16 Y4 -","2","0.5","","Ming Fang; David S. Lee; Joseph W. Ziller; Robert J. Doedens; Jefferson E. Bates; Filipp Furche; William J. Evans","Synthesis of the (N2)3- Radical from Y2+ and Its Protonolysis Reactivity To Form (N2H2)2- via the Y[N(SiMe3)2]3/KC8 Reduction System","Journal of the American Chemical Society","2011","133","","3784","3787","10.1021/ja1116827","","","0.71073","MoKα","","0.065","0.0432","","","0.1026","0.114","","","","","","1.033","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105789","10.865","0.004","23.466","0.005","11.602","0.002","90","","112.64","0.02","90","","2730.1","1.3","161","2","161","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 Gd2 N6 O2 Si8 -","- C32 H88 Gd2 N6 O2 Si8 -","- C64 H176 Gd4 N12 O4 Si16 -","2","0.5","","Ming Fang; David S. Lee; Joseph W. Ziller; Robert J. Doedens; Jefferson E. Bates; Filipp Furche; William J. Evans","Synthesis of the (N2)3- Radical from Y2+ and Its Protonolysis Reactivity To Form (N2H2)2- via the Y[N(SiMe3)2]3/KC8 Reduction System","Journal of the American Chemical Society","2011","133","","3784","3787","10.1021/ja1116827","","","0.71073","MoKα","","0.0439","0.0301","","","0.0631","0.0672","","","","","","1.095","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105790","6.9951","0.0012","6.9951","0.0012","8.028","0.003","90","","90","","90","","392.82","0.18","273","2","273","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Cr H12 N3 O8 -","- Cr H14 N3 O8 -","- Cr2 H28 N6 O16 -","2","0.125","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal","M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics","Journal of the American Chemical Society","2011","133","","3792","3795","10.1021/ja1117683","","","0.71073","MoKα","","0.0247","0.0247","","","0.0621","0.0621","","","","","","1.253","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105791","9.8893","0.0012","9.889","","8.0326","0.001","90","","90","","90","","785.55","0.14","203","2","203","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cr H12 N3 O8 -","- Cr H12 N3 O8 -","- Cr4 H48 N12 O32 -","4","0.5","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal","M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics","Journal of the American Chemical Society","2011","133","","3792","3795","10.1021/ja1117683","","","0.71073","MoKα","","0.0295","0.0291","","","0.0712","0.0714","","","","","","1.269","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105792","10","2","10.0176","0.001","8.0201","0.001","90.013","0.001","90.008","0.003","90.004","0.002","803","16","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- Cr H12 N3 O8 -","- Cr N3 O8 -","- Cr4 N12 O32 -","4","4","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal","M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics","Journal of the American Chemical Society","2011","133","","3792","3795","10.1021/ja1117683","","","0.71073","MoKα","","0.0601","0.0567","","","0.1569","0.1598","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105793","6.9862","0.0003","6.9862","0.0003","7.9044","0.0006","90","","90","","90","","385.79","0.04","193","2","193","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Cr H8 N2 O8 Rb -","- Cr H8 N1.62 O8 Rb1.38 -","- Cr2 H16 N3.24 O16 Rb2.76 -","2","0.125","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal","M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics","Journal of the American Chemical Society","2011","133","","3792","3795","10.1021/ja1117683","","","0.71073","MoKα","","0.0242","0.0242","","","0.064","0.0641","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105794","7.0386","0.0003","7.0386","0.0003","8.1748","0.0008","90","","90","","90","","405","0.05","173","2","173","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Cr Cs H8 N2 O8 -","- Cr Cs H8 N2 O8 -","- Cr2 Cs2 H16 N4 O16 -","2","0.125","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal","M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics","Journal of the American Chemical Society","2011","133","","3792","3795","10.1021/ja1117683","","","0.71073","MoKα","","0.0122","0.0122","","","0.0308","0.0308","","","","","","1.121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105795","21.394","0.003","17.58","0.002","13.7909","0.0018","90","","90","","90","","5186.8","1.2","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C90 H4 Cl8 La2 N4 O -","- C90 H4 Cl8 La2 N4 O -","- C360 H16 Cl32 La8 N16 O4 -","4","0.5","","Michio Yamada; Mari Minowa; Satoru Sato; Zdenek Slanina; Takahiro Tsuchiya; Yutaka Maeda; Shigeru Nagase; Takeshi Akasaka","Regioselective Cycloaddition of La2@Ih-C80 with Tetracyanoethylene Oxide: Formation of an Endohedral Dimetallofullerene Adduct Featuring Enhanced Electron-Accepting Character","Journal of the American Chemical Society","2011","133","","3796","3799","10.1021/ja2000243","","x-ray","0.71073","MoKα","","0.1366","0.1182","","","0.2318","0.2409","","","","","","1.144","","","","has coordinates,has disorder","213925","2020-10-21","18:00:00",""
"4105796","14.8232","0.0008","25.049","0.001","15.2283","0.0007","90","","96.895","0.004","90","","5613.5","0.5","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H46 Cl6 N2 O6 Pt2 -","- C64 H46 Cl6 N2 O6 Pt2 -","- C256 H184 Cl24 N8 O24 Pt8 -","4","1","","Emmanuel Anger; Mark Rudolph; Chengshuo Shen; Nicolas Vanthuyne; Loïc Toupet; Christian Roussel; Jochen Autschbach; Jeanne Crassous; Régis Réau","From Hetero- to Homochiral Bis(metallahelicene)s Based on a PtIII-PtIII Bonded Scaffold: Isomerization, Structure, and Chiroptical Properties","Journal of the American Chemical Society","2011","133","","3800","3803","10.1021/ja200129y","","","0.71073","MoKα","","0.1156","0.0548","","","0.1293","0.1394","","","","","","0.801","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105797","12.765","0.0008","14.6415","0.0008","17.5626","0.001","92.314","0.003","99.295","0.004","98.755","0.003","3194.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H45 Cl11 N2 O6 Pt2 -","- C65 H45 Cl11 N2 O6 Pt2 -","- C130 H90 Cl22 N4 O12 Pt4 -","2","1","","Emmanuel Anger; Mark Rudolph; Chengshuo Shen; Nicolas Vanthuyne; Loïc Toupet; Christian Roussel; Jochen Autschbach; Jeanne Crassous; Régis Réau","From Hetero- to Homochiral Bis(metallahelicene)s Based on a PtIII-PtIII Bonded Scaffold: Isomerization, Structure, and Chiroptical Properties","Journal of the American Chemical Society","2011","133","","3800","3803","10.1021/ja200129y","","","0.71069","MoKα","","0.0771","0.0434","","","0.1077","0.1391","","","","","","1.143","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105798","9.5249","0.0002","20.4922","0.0004","26.6299","0.0005","90","","90","","90","","5197.79","0.18","140","2","140","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H24 Cl3 N O2 Pt S -","- C27 H24 Cl3 N O2 Pt S -","- C216 H192 Cl24 N8 O16 Pt8 S8 -","8","1","","Emmanuel Anger; Mark Rudolph; Chengshuo Shen; Nicolas Vanthuyne; Loïc Toupet; Christian Roussel; Jochen Autschbach; Jeanne Crassous; Régis Réau","From Hetero- to Homochiral Bis(metallahelicene)s Based on a PtIII-PtIII Bonded Scaffold: Isomerization, Structure, and Chiroptical Properties","Journal of the American Chemical Society","2011","133","","3800","3803","10.1021/ja200129y","","","0.71073","MoKα","","0.0556","0.035","","","0.069","0.0787","","","","","","1.078","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105799","9.9777","0.001","20.156","0.002","11.0109","0.0011","90","","92.311","0.002","90","","2212.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N6 O3 -","- C10 H12 N6 O3 -","- C80 H96 N48 O24 -","8","2","","Powner, Matthew W.; Sutherland, John D.; Szostak, Jack W.","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2011","133","11","4149","4150","10.1021/ja2002023","","","0.71073","MoKα","","0.0817","0.0446","","","0.0975","0.1163","","","","","","1.013","","","","has coordinates","210884","2020-10-21","18:00:00",""
"4105800","7.0578","0.0002","7.96","0.0002","12.8899","0.0003","72.221","0.001","77.298","0.001","65.396","0.001","623.35","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Cl N6 O3 -","- C10 H13 Cl N6 O3 -","- C20 H26 Cl2 N12 O6 -","2","1","","Powner, Matthew W.; Sutherland, John D.; Szostak, Jack W.","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2011","133","11","4149","4150","10.1021/ja2002023","","","0.71073","MoKα","","0.0339","0.0306","","","0.0784","0.0804","","","","","","1.038","","","","has coordinates","210884","2020-10-21","18:00:00",""
"4105801","17.9685","0.0004","11.7323","0.0003","14.7031","0.0003","90","","106.506","0.001","90","","2971.85","0.12","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 F2 N O3 P2 Pd -","- C28 H42 F2 N O3 P2 Pd -","- C112 H168 F8 N4 O12 P8 Pd4 -","4","1","","Rafael Huacuja; Daniel J. Graham; Claudia M. Fafard; Chun-Hsing Chen; Bruce M. Foxman; David E. Herbert; Glen Alliger; Christine M. Thomas; Oleg V. Ozerov","Reactivity of a Pd(I)-Pd(I) Dimer with O2: Monohapto Pd Superoxide and Dipalladium Peroxide in Equilibrium","Journal of the American Chemical Society","2011","133","","3820","3823","10.1021/ja200346a","","","0.71073","MoKα","","0.0356","0.0258","","0.0733","0.0641","0.0733","","","","","","1.0055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105802","21.58","0.02","20.65","0.02","13.762","0.014","90","","125.419","0.01","90","","4998","8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 F2 N O P2 Pd -","- C24 H34 F2 N O P2 Pd -","- C192 H272 F16 N8 O8 P16 Pd8 -","8","1","","Rafael Huacuja; Daniel J. Graham; Claudia M. Fafard; Chun-Hsing Chen; Bruce M. Foxman; David E. Herbert; Glen Alliger; Christine M. Thomas; Oleg V. Ozerov","Reactivity of a Pd(I)-Pd(I) Dimer with O2: Monohapto Pd Superoxide and Dipalladium Peroxide in Equilibrium","Journal of the American Chemical Society","2011","133","","3820","3823","10.1021/ja200346a","","","0.71073","MoKα","","0.1011","0.0971","","","0.2273","0.2289","","","","","","1.314","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105803","21.8201","0.0019","12.0518","0.0011","22.574","0.002","90","","113.39","0.001","90","","5448.5","0.8","30","2","30","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H67 B Fe N7 P -","- C67 H67 B Fe N7 P -","- C268 H268 B4 Fe4 N28 P4 -","4","1","","Jeremiah J. Scepaniak; T. David Harris; Carola S. Vogel; Jörg Sutter; Karsten Meyer; Jeremy M. Smith","Spin Crossover in a Four-Coordinate Iron(II) Complex","Journal of the American Chemical Society","2011","133","","3824","3827","10.1021/ja2003473","","","0.71073","MoKα","","0.0631","0.0471","","","0.1198","0.1302","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4105804","21.9674","0.0016","12.1412","0.0009","22.4515","0.0016","90","","112.585","0.001","90","","5528.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H67 B Fe N7 P -","- C67 H67 B Fe N7 P -","- C268 H268 B4 Fe4 N28 P4 -","4","1","","Jeremiah J. Scepaniak; T. David Harris; Carola S. Vogel; Jörg Sutter; Karsten Meyer; Jeremy M. Smith","Spin Crossover in a Four-Coordinate Iron(II) Complex","Journal of the American Chemical Society","2011","133","","3824","3827","10.1021/ja2003473","","","0.71073","MoKα","","0.0696","0.0477","","","0.1267","0.1418","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4105805","22.1128","0.0013","12.1722","0.0007","22.5193","0.0013","90","","112.615","0.001","90","","5595.3","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H67 B Fe N7 P -","- C67 H67 B Fe N7 P -","- C268 H268 B4 Fe4 N28 P4 -","4","1","","Jeremiah J. Scepaniak; T. David Harris; Carola S. Vogel; Jörg Sutter; Karsten Meyer; Jeremy M. Smith","Spin Crossover in a Four-Coordinate Iron(II) Complex","Journal of the American Chemical Society","2011","133","","3824","3827","10.1021/ja2003473","","","0.71073","MoKα","","0.0695","0.0469","","","0.1225","0.1376","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4105806","8.6569","0.0003","23.2021","0.0008","14.5399","0.0005","90","","106.911","0.002","90","","2794.17","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H41 Cl Ni P2 -","- C30 H41 Cl Ni P2 -","- C120 H164 Cl4 Ni4 P8 -","4","1","","Sibo Lin; Michael W. Day; Theodor Agapie","Nickel Hydrides Supported by a Non-Innocent Diphosphine Arene Pincer: Mechanistic Studies of Nickel-Arene H-Migration and Partial Arene Hydrogenation","Journal of the American Chemical Society","2011","133","","3828","3831","10.1021/ja200368y","","","0.71073","MoKα","","0.0397","0.0302","","","0.0476","0.0482","","","","","","1.759","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105807","10.9521","0.0004","16.7037","0.0007","17.0594","0.0007","90","","106.816","0.002","90","","2987.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Cl2 Ni2 P2 -","- C30 H42 Cl2 Ni2 P2 -","- C120 H168 Cl8 Ni8 P8 -","4","1","","Sibo Lin; Michael W. Day; Theodor Agapie","Nickel Hydrides Supported by a Non-Innocent Diphosphine Arene Pincer: Mechanistic Studies of Nickel-Arene H-Migration and Partial Arene Hydrogenation","Journal of the American Chemical Society","2011","133","","3828","3831","10.1021/ja200368y","","","0.71073","MoKα","","0.0395","0.0268","","","0.0426","0.0432","","","","","","1.552","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105808","27.7671","0.0012","12.6722","0.0006","20.3587","0.0009","90","","112.212","0.002","90","","6632","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42.5 F3 N0.5 Ni O3 P2 S -","- C32 H42.5 F3 N0.5 Ni O3 P2 S -","- C256 H340 F24 N4 Ni8 O24 P16 S8 -","8","2","","Sibo Lin; Michael W. Day; Theodor Agapie","Nickel Hydrides Supported by a Non-Innocent Diphosphine Arene Pincer: Mechanistic Studies of Nickel-Arene H-Migration and Partial Arene Hydrogenation","Journal of the American Chemical Society","2011","133","","3828","3831","10.1021/ja200368y","","","0.71073","MoKα","","0.1199","0.1001","","","0.0925","0.0934","","","","","","2.908","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4105809","18.8883","0.0008","18.2168","0.0008","19.5092","0.0008","90","","116.405","0.002","90","","6012.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H53 B F24 Ni P2 -","- C62 H53 B F24 Ni P2 -","- C248 H212 B4 F96 Ni4 P8 -","4","1","","Sibo Lin; Michael W. Day; Theodor Agapie","Nickel Hydrides Supported by a Non-Innocent Diphosphine Arene Pincer: Mechanistic Studies of Nickel-Arene H-Migration and Partial Arene Hydrogenation","Journal of the American Chemical Society","2011","133","","3828","3831","10.1021/ja200368y","","","0.71073","MoKα","","0.0911","0.0479","","","0.0568","0.0586","","","","","","1.7","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4105810","11.4076","0.0002","15.005","0.0002","12.8787","0.0002","90","","102.091","0.002","90","","2155.56","0.06","293","","293","","","","","","","","","7","P 1 n 1","P -2yac","7","","Sc{BN2Ar2C2H2}(CH2SiMe3)2(THF)","","- C38 H66 B N2 O Sc Si2 -","- C38 H66 B N2 O Sc Si2 -","- C76 H132 B2 N4 O2 Sc2 Si4 -","2","1","","Liban M. A. Saleh; Krishna Hassomal Birjkumar; Andrey V. Protchenko; Andrew D. Schwarz; Simon Aldridge; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford","Group 3 and Lanthanide Boryl Compounds: Syntheses, Structures, and Bonding Analyses of Sc-B, Y-B, and Lu-B σ-Coordinated NHC Analogues","Journal of the American Chemical Society","2011","133","","3836","3839","10.1021/ja2007092","","","0.71073","MoKα","","0.0714","0.0518","","0.0625","0.0531","0.051","","","","","","1.1107","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105811","21.3465","0.0003","10.3553","0.0002","23.5353","0.0004","90","","113.89","0.001","90","","4756.74","0.14","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Y{BN2Ar2C2H2}(CH2SiMe3)2(THF)2","","- C42 H74 B N2 O2 Si2 Y -","- C42 H74 B N2 O2 Si2 Y -","- C168 H296 B4 N8 O8 Si8 Y4 -","4","1","","Liban M. A. Saleh; Krishna Hassomal Birjkumar; Andrey V. Protchenko; Andrew D. Schwarz; Simon Aldridge; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford","Group 3 and Lanthanide Boryl Compounds: Syntheses, Structures, and Bonding Analyses of Sc-B, Y-B, and Lu-B σ-Coordinated NHC Analogues","Journal of the American Chemical Society","2011","133","","3836","3839","10.1021/ja2007092","","","0.71073","MoKα","","0.1203","0.092","","0.102","0.0809","0.0781","","","","","","1.1096","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105812","10.3787","0.0003","18.8034","0.0004","12.3583","0.0003","90","","102.152","0.002","90","","2357.74","0.1","293","","293","","","","","","","","","7","P 1 21 1","P 2yb","4","","Lu{BN2Ar2C2H2}(CH2SiMe3)2(THF)2","","- C42 H74 B Lu N2 O2 Si2 -","- C42 H74 B Lu N2 O2 Si2 -","- C84 H148 B2 Lu2 N4 O4 Si4 -","2","1","","Liban M. A. Saleh; Krishna Hassomal Birjkumar; Andrey V. Protchenko; Andrew D. Schwarz; Simon Aldridge; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford","Group 3 and Lanthanide Boryl Compounds: Syntheses, Structures, and Bonding Analyses of Sc-B, Y-B, and Lu-B σ-Coordinated NHC Analogues","Journal of the American Chemical Society","2011","133","","3836","3839","10.1021/ja2007092","","","1.54184","CuKα","","0.0631","0.0586","","0.0733","0.0688","0.0662","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105813","16.838","0.003","11.026","0.002","22.41","0.005","90","","90","","90","","4160.5","1.4","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C42 H33 N3 O11 Zn2 -","- C42 H24 N3 O11 Zn2 -","- C168 H96 N12 O44 Zn8 -","4","0.5","","Sanhita Pramanik; Chong Zheng; Xiao Zhang; Thomas J. Emge; Jing Li","New Microporous Metal-Organic Framework Demonstrating Unique Selectivity for Detection of High Explosives and Aromatic Compounds","Journal of the American Chemical Society","2011","133","","4153","4155","10.1021/ja106851d","","","0.71073","MoKα","","0.1134","0.0626","","","0.1835","0.2265","","","","","","1.065","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105814","6.0402","0.0012","8.902","0.0018","18.078","0.004","90.7","0.03","92.98","0.03","99.81","0.03","956.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N O -","- C24 H21 N O -","- C48 H42 N2 O2 -","2","1","","Zhenhua Zhang; Yiyang Liu; Lin Ling; Yuxue Li; Yian Dong; Mingxing Gong; Xiaokun Zhao; Yan Zhang; Jianbo Wang","Pd-Catalyzed Carbonylation of Diazo Compounds at Atmospheric Pressure: A Catalytic Approach to Ketenes","Journal of the American Chemical Society","2011","133","","4330","4341","10.1021/ja107351d","","","0.71073","MoKα","","0.146","0.0536","","","0.1147","0.1232","","","","","","1.023","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105815","26.589","0.007","31.767","0.008","13.739","0.003","90","","90","","90","","11605","5","291","2","291","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C36 H24 Cu4 I2 N18 S4 W -","- C36 H24 Cu4 I2 N18 S4 W -","- C288 H192 Cu32 I16 N144 S32 W8 -","8","0.5","","Zhen-Zhong Lu; Rui Zhang; Yi-Zhi Li; Zi-Jian Guo; He-Gen Zheng","Solvatochromic Behavior of a Nanotubular Metal-Organic Framework for Sensing Small Molecules","Journal of the American Chemical Society","2011","133","","4172","4174","10.1021/ja109437d","","","0.71073","MoKα","","0.0729","0.049","","","0.1223","0.1298","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105816","26.86","0.006","31.492","0.007","13.905","0.005","90","","90","","90","","11762","6","291","2","291","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C36 H24 Cu4 I2 N18 S4 W -","- C36 H24 Cu4 I2 N18 S4 W -","- C288 H192 Cu32 I16 N144 S32 W8 -","8","0.5","","Zhen-Zhong Lu; Rui Zhang; Yi-Zhi Li; Zi-Jian Guo; He-Gen Zheng","Solvatochromic Behavior of a Nanotubular Metal-Organic Framework for Sensing Small Molecules","Journal of the American Chemical Society","2011","133","","4172","4174","10.1021/ja109437d","","","0.71073","MoKα","","0.0839","0.0636","","","0.1581","0.1676","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105817","30.7887","0.0008","30.7887","0.0008","30.7887","0.0008","90","","90","","90","","29186","1.3","296","2","296","2","","","","","","","","8","F m -3 m","-F 4 2 3","225","","","","- C576 H192 Cl24 Cu96 N24 O556 P4 W48 -","- C576 H192 Cl24 Cu96 N24 O556 P4 W48 -","- C576 H192 Cl24 Cu96 N24 O556 P4 W48 -","1","0.00520833","","Feng-Ji Ma; Shu-Xia Liu; Chun-Yan Sun; Da-Dong Liang; Guo-Jian Ren; Feng Wei; Ya-Guang Chen; Zhong-Min Su","A Sodalite-Type Porous Metal-Organic Framework with Polyoxometalate Templates: Adsorption and Decomposition of Dimethyl Methylphosphonate","Journal of the American Chemical Society","2011","133","","4178","4181","10.1021/ja109659k","","","0.71073","MoKα","","0.0428","0.039","","","0.1289","0.1323","","","","","","1.013","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105818","12.7826","0.0003","15.4624","0.0003","20.46","0.0004","90","","91.789","0.001","90","","4041.94","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H60 Fe O P3 Si -","- C43 H60 Fe O P3 Si -","- C172 H240 Fe4 O4 P12 Si4 -","4","1","","Yunho Lee; Jonas C. Peters","Silylation of Iron-Bound Carbon Monoxide Affords a Terminal Fe Carbyne","Journal of the American Chemical Society","2011","133","","4438","4446","10.1021/ja109678y","","","1.54178","CuKα","","0.0288","0.0273","","","0.0706","0.0716","","","","","","1.044","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105819","17.9012","0.0007","17.9012","0.0007","13.0887","0.001","90","","90","","120","","3632.4","0.3","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C49 H78 Fe Na O4 P3 Si -","- C49 H78 Fe Na O4 P3 Si -","- C147 H234 Fe3 Na3 O12 P9 Si3 -","3","0.333333","","Yunho Lee; Jonas C. Peters","Silylation of Iron-Bound Carbon Monoxide Affords a Terminal Fe Carbyne","Journal of the American Chemical Society","2011","133","","4438","4446","10.1021/ja109678y","","","0.71073","MoKα","","0.0295","0.0272","","","0.0635","0.0649","","","","","","1.033","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105820","11.0922","0.0004","17.9941","0.001","20.9965","0.0009","90","","94.549","0.002","90","","4177.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H63 Fe O P3 Si2 -","- C40 H63 Fe O P3 Si2 -","- C160 H252 Fe4 O4 P12 Si8 -","4","1","","Yunho Lee; Jonas C. Peters","Silylation of Iron-Bound Carbon Monoxide Affords a Terminal Fe Carbyne","Journal of the American Chemical Society","2011","133","","4438","4446","10.1021/ja109678y","","","1.54178","CuKα","","0.0407","0.0316","","","0.0758","0.0815","","","","","","0.982","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105821","12.9938","0.0003","38.3547","0.0008","14.3803","0.0003","90","","92.432","0.001","90","","7160.3","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H66 B F24 Fe O P3 Si -","- C69 H66 B F24 Fe O P3 Si -","- C276 H264 B4 F96 Fe4 O4 P12 Si4 -","4","1","","Yunho Lee; Jonas C. Peters","Silylation of Iron-Bound Carbon Monoxide Affords a Terminal Fe Carbyne","Journal of the American Chemical Society","2011","133","","4438","4446","10.1021/ja109678y","","","1.54178","CuKα","","0.052","0.0481","","","0.1097","0.1117","","","","","","1.126","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105822","12.7131","0.0002","16.3092","0.0003","19.1176","0.0004","106.247","0.001","100.47","0.001","100.089","0.001","3633.37","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H65 B Cl F24 Fe P3 Si -","- C70.5 H72 B Cl F24.02 Fe P3 Si -","- C141 H144 B2 Cl2 F48.04 Fe2 P6 Si2 -","2","1","","Yunho Lee; Jonas C. Peters","Silylation of Iron-Bound Carbon Monoxide Affords a Terminal Fe Carbyne","Journal of the American Chemical Society","2011","133","","4438","4446","10.1021/ja109678y","","","1.54178","CuKα","","0.0394","0.039","","","0.1101","0.1105","","","","","","0.857","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105823","8.817","0.004","21.151","0.009","10.788","0.004","90","","95.286","0.007","90","","2003.3","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(mu-phenylamido)bis(tetrahydrofuran) bis[bis(trimethylsilyl)amido]dimanganese(II)","","- C32 H64 Mn2 N4 O2 Si4 -","- C32 H64 Mn2 N4 O2 Si4 -","- C64 H128 Mn4 N8 O4 Si8 -","2","0.5","","Clifton R. Hamilton; Regina A. Baglia; Alexander D. Gordon; Michael J. Zdilla","Synthesis of Tetranuclear, Four-Coordinate Manganese Clusters with ""Pinned Butterfly"" Geometry Formed by Metal-Mediated N-N Bond Cleavage in Diphenylhydrazine","Journal of the American Chemical Society","2011","133","","4208","4211","10.1021/ja110536t","","","0.71073","MoKα","","0.0294","0.024","","","0.0614","0.0644","","","","","","1.049","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105824","25.781","0.007","12.04","0.004","21.765","0.006","90","","118.509","0.017","90","","5937","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(mu-3-N,N'-diphenylhydrazido)N,N'diphenylhydrazidobis(mu-phenylamido) tetrakis(tetrahydrofuran)tetramanganese(II)","","- C64 H74 Mn4 N8 O4 -","- C64 H74 Mn4 N8 O4 -","- C256 H296 Mn16 N32 O16 -","4","0.5","","Clifton R. Hamilton; Regina A. Baglia; Alexander D. Gordon; Michael J. Zdilla","Synthesis of Tetranuclear, Four-Coordinate Manganese Clusters with ""Pinned Butterfly"" Geometry Formed by Metal-Mediated N-N Bond Cleavage in Diphenylhydrazine","Journal of the American Chemical Society","2011","133","","4208","4211","10.1021/ja110536t","","","0.71073","MoKα","","0.0435","0.0314","","","0.0748","0.079","","","","","","0.965","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105825","22.764","0.003","14.0803","0.0016","24.148","0.003","90","","109.392","0.002","90","","7300.9","1.6","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(mu-3-N,N'-diphenylhydrazido)N,N'diphenylhydrazidobis(mu-phenylamido) tetrapyridinetetramanganese(II)","","- C83 H77 Mn4 N15 -","- C83 H77 Mn4 N15 -","- C332 H308 Mn16 N60 -","4","1","","Clifton R. Hamilton; Regina A. Baglia; Alexander D. Gordon; Michael J. Zdilla","Synthesis of Tetranuclear, Four-Coordinate Manganese Clusters with ""Pinned Butterfly"" Geometry Formed by Metal-Mediated N-N Bond Cleavage in Diphenylhydrazine","Journal of the American Chemical Society","2011","133","","4208","4211","10.1021/ja110536t","","","0.71073","MoKα","","0.0709","0.0401","","","0.0898","0.102","","","","","","1.017","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105826","13.8679","0.0019","12.1188","0.0016","18.512","0.003","90","","97.116","0.002","90","","3087.2","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","manganese bis(tms-amide) bis(THF)","bis(tetrahydrofuran)bis[bis(trimethylsilylamido)]manganese(II)","","- C20 H52 Mn N2 O2 Si4 -","- C20 H52 Mn N2 O2 Si4 -","- C80 H208 Mn4 N8 O8 Si16 -","4","1","","Clifton R. Hamilton; Regina A. Baglia; Alexander D. Gordon; Michael J. Zdilla","Synthesis of Tetranuclear, Four-Coordinate Manganese Clusters with ""Pinned Butterfly"" Geometry Formed by Metal-Mediated N-N Bond Cleavage in Diphenylhydrazine","Journal of the American Chemical Society","2011","133","","4208","4211","10.1021/ja110536t","","","0.71073","MoKα","","0.0458","0.0333","","","0.0926","0.097","","","","","","1.031","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105827","18.8354","0.0004","26.6616","0.0005","30.5877","0.0006","90","","92.929","0.001","90","","15340.5","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C124 H140 Cl3 F12 N8 O32 P2 S8 -","- C124 H140 Cl3 F12 N8 O32 P2 S8 -","- C496 H560 Cl12 F48 N32 O128 P8 S32 -","4","1","","Ali Coskun; Jason M. Spruell; Gokhan Barin; Albert C. Fahrenbach; Ross S. Forgan; Michael T. Colvin; Raanan Carmieli; Diego Benítez; Ekaterina Tkatchouk; Douglas C. Friedman; Amy A. Sarjeant; Michael R. Wasielewski; William A. Goddard; J. Fraser Stoddart","Mechanically Stabilized Tetrathiafulvalene Radical Dimers","Journal of the American Chemical Society","2011","133","","4538","4547","10.1021/ja110584c","","","1.54178","CuKα","","0.1265","0.0909","","","0.2571","0.2856","","","","","","0.98","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105828","12.7199","0.0011","7.2298","0.0007","18.0394","0.0017","90","","99.098","0.002","90","","1638.1","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 B2 -","- C24 H18 B2 -","- C96 H72 B8 -","4","1","","Alexander Hübner; Zheng-Wang Qu; Ulli Englert; Michael Bolte; Hans-Wolfram Lerner; Max C. Holthausen; Matthias Wagner","Main-Chain Boron-Containing Oligophenylenes via Ring-Opening Polymerization of 9-H-9-Borafluorene","Journal of the American Chemical Society","2011","133","","4596","4609","10.1021/ja110947k","","","0.71073","MoKα","","0.0747","0.0521","","","0.115","0.1289","","","","","","1.049","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105829","9.0283","0.0009","11.5995","0.0011","12.015","0.0012","77.043","0.008","68.701","0.008","85.064","0.008","1142.5","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 B2 -","- C30 H28 B2 -","- C60 H56 B4 -","2","1","","Alexander Hübner; Zheng-Wang Qu; Ulli Englert; Michael Bolte; Hans-Wolfram Lerner; Max C. Holthausen; Matthias Wagner","Main-Chain Boron-Containing Oligophenylenes via Ring-Opening Polymerization of 9-H-9-Borafluorene","Journal of the American Chemical Society","2011","133","","4596","4609","10.1021/ja110947k","","","0.71073","MoKα","","0.0702","0.048","","","0.1145","0.1236","","","","","","0.946","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105830","14.8385","0.0016","5.8312","0.0006","17.7349","0.0017","90","","106.659","0.008","90","","1470.1","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 B -","- C18 H19 B -","- C72 H76 B4 -","4","1","","Alexander Hübner; Zheng-Wang Qu; Ulli Englert; Michael Bolte; Hans-Wolfram Lerner; Max C. Holthausen; Matthias Wagner","Main-Chain Boron-Containing Oligophenylenes via Ring-Opening Polymerization of 9-H-9-Borafluorene","Journal of the American Chemical Society","2011","133","","4596","4609","10.1021/ja110947k","","","0.71073","MoKα","","0.1037","0.0804","","","0.238","0.2485","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105831","21.5133","0.0018","14.074","0.0013","19.1807","0.0015","90","","93.461","0.007","90","","5796.9","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H31 B2 N2 -","- C37 H31 B2 N2 -","- C296 H248 B16 N16 -","8","1","","Alexander Hübner; Zheng-Wang Qu; Ulli Englert; Michael Bolte; Hans-Wolfram Lerner; Max C. Holthausen; Matthias Wagner","Main-Chain Boron-Containing Oligophenylenes via Ring-Opening Polymerization of 9-H-9-Borafluorene","Journal of the American Chemical Society","2011","133","","4596","4609","10.1021/ja110947k","","","0.71073","MoKα","","0.1304","0.0606","","","0.0931","0.1123","","","","","","0.929","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105832","12.8597","0.0007","13.1616","0.0007","14.4382","0.0008","84.743","0.002","78.404","0.001","78.524","0.001","2342.6","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C63 H51.25 B4.75 -","- C63 H51.25 B4.75 -","- C126 H102.5 B9.5 -","2","1","","Alexander Hübner; Zheng-Wang Qu; Ulli Englert; Michael Bolte; Hans-Wolfram Lerner; Max C. Holthausen; Matthias Wagner","Main-Chain Boron-Containing Oligophenylenes via Ring-Opening Polymerization of 9-H-9-Borafluorene","Journal of the American Chemical Society","2011","133","","4596","4609","10.1021/ja110947k","","","0.71073","MoKα","","0.114","0.0715","","","0.1698","0.1914","","","","","","1.083","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105833","21.413","0.002","15.0677","0.0017","15.0115","0.0016","90","","104.776","0.003","90","","4683.2","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C63 H55 B6 -","- C63 H55 B6 -","- C252 H220 B24 -","4","1","","Alexander Hübner; Zheng-Wang Qu; Ulli Englert; Michael Bolte; Hans-Wolfram Lerner; Max C. Holthausen; Matthias Wagner","Main-Chain Boron-Containing Oligophenylenes via Ring-Opening Polymerization of 9-H-9-Borafluorene","Journal of the American Chemical Society","2011","133","","4596","4609","10.1021/ja110947k","","","0.71073","MoKα","","0.1314","0.1057","","","0.2792","0.2989","","","","","","1.077","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105834","12.2935","0.0003","21.9361","0.0007","14.0308","0.0005","90","","102.427","0.001","90","","3695.1","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H27 B F15 P -","- C44 H27 B F15 P -","- C176 H108 B4 F60 P4 -","4","1","","Olga Ekkert; Gerald Kehr; Roland Fröhlich; Gerhard Erker","P-C Bond Activation Chemistry: Evidence for 1,1-Carboboration Reactions Proceeding with Phosphorus-Carbon Bond Cleavage","Journal of the American Chemical Society","2011","133","","4610","4616","10.1021/ja1110283","","","1.54178","CuKα","","0.0489","0.044","","","0.1198","0.1239","","","","","","1.053","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105835","9.5993","0.0005","11.3438","0.0008","15.428","0.0015","87.124","0.005","89.616","0.004","70.239","0.003","1579","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H17 B F15 P -","- C35 H17 B F15 P -","- C70 H34 B2 F30 P2 -","2","1","","Olga Ekkert; Gerald Kehr; Roland Fröhlich; Gerhard Erker","P-C Bond Activation Chemistry: Evidence for 1,1-Carboboration Reactions Proceeding with Phosphorus-Carbon Bond Cleavage","Journal of the American Chemical Society","2011","133","","4610","4616","10.1021/ja1110283","","","1.54178","CuKα","","0.0688","0.0489","","","0.1088","0.1228","","","","","","1.064","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105836","9.7976","0.0002","10.846","0.0004","21.187","0.0007","95.231","0.002","102.492","0.002","104.305","0.002","2104.94","0.12","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H22 B Cl2 F15 P2 -","- C45 H22 B Cl2 F15 P2 -","- C90 H44 B2 Cl4 F30 P4 -","2","1","","Olga Ekkert; Gerald Kehr; Roland Fröhlich; Gerhard Erker","P-C Bond Activation Chemistry: Evidence for 1,1-Carboboration Reactions Proceeding with Phosphorus-Carbon Bond Cleavage","Journal of the American Chemical Society","2011","133","","4610","4616","10.1021/ja1110283","","","1.54178","CuKα","","0.1257","0.0769","","","0.1866","0.2242","","","","","","1.038","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105837","10.4606","0.0004","13.1363","0.0005","16.4911","0.0007","91.614","0.002","103.553","0.002","95.609","0.003","2189.39","0.15","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H28 B F15 P2 -","- C51 H28 B F15 P2 -","- C102 H56 B2 F30 P4 -","2","1","","Olga Ekkert; Gerald Kehr; Roland Fröhlich; Gerhard Erker","P-C Bond Activation Chemistry: Evidence for 1,1-Carboboration Reactions Proceeding with Phosphorus-Carbon Bond Cleavage","Journal of the American Chemical Society","2011","133","","4610","4616","10.1021/ja1110283","","","1.54178","CuKα","","0.0537","0.0503","","","0.1389","0.1423","","","","","","1.037","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105838","13.799","0.003","14.187","0.003","14.323","0.003","90","","90","","90","","2804","1","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga Pr4 S9 Sb -","- Ga Pr4 S9 Sb -","- Ga8 Pr32 S72 Sb8 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0204","0.018","","","0.0335","0.0417","","","","","","1.127","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105839","13.759","0.005","14.113","0.005","14.3","0.005","90","","90","","90","","2776.8","1.7","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga Nd4 S9 Sb -","- Ga Nd4 S9 Sb -","- Ga8 Nd32 S72 Sb8 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0194","0.0165","","","0.0381","0.0693","","","","","","1.228","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105840","13.64","0.003","13.983","0.003","14.166","0.003","90","","90","","90","","2701.9","1","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga S9 Sb Sm4 -","- Ga S9 Sb Sm4 -","- Ga8 S72 Sb8 Sm32 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0411","0.0367","","","0.0857","0.1338","","","","","","1.091","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105841","13.5733","0.0016","13.8956","0.0018","14.0982","0.0019","90","","90","","90","","2659","0.6","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga Gd4 S9 Sb -","- Ga Gd4 S9 Sb -","- Ga8 Gd32 S72 Sb8 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0128","0.0114","","","0.0265","0.0596","","","","","","1.307","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105842","13.53","0.005","13.85","0.005","14.05","0.005","90","","90","","90","","2632.8","1.7","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga S9 Sb Tb4 -","- Ga S9 Sb Tb4 -","- Ga8 S72 Sb8 Tb32 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.036","0.0329","","","0.0694","0.0722","","","","","","1.044","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105843","13.4762","0.0014","13.8105","0.0011","14.0109","0.0016","90","","90","","90","","2607.6","0.5","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Dy4 Ga S9 Sb -","- Dy4 Ga S9 Sb -","- Dy32 Ga8 S72 Sb8 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0274","0.0255","","","0.0509","0.052","","","","","","1","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105844","13.427","0.005","13.756","0.005","13.954","0.005","90","","90","","90","","2577.3","1.6","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga Ho4 S9 Sb -","- Ga Ho4 S9 Sb -","- Ga8 Ho32 S72 Sb8 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0322","0.0305","","","0.0634","0.0645","","","","","","1.015","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105845","18.4918","0.0014","26.861","0.002","41.776","0.003","90","","90","","90","","20750","3","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C40 H0 N7 O10 Ru0.5 Zn2 -","- C40.066 N7.006 O10 Ru0.499 Zn2 -","- C320.528 N56.048 O80 Ru3.992 Zn16 -","8","1","","Cheng Wang; Wenbin Lin","Diffusion-Controlled Luminescence Quenching in Metal-Organic Frameworks","Journal of the American Chemical Society","2011","133","","4232","4235","10.1021/ja111197d","","","1.54178","CuKα","","0.188","0.1472","","","0.3545","0.3907","","","","","","1.268","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105846","10.635","0.011","14.068","0.015","11.104","0.012","90","","100.694","0.013","90","","1632","3","93.1","","93.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Cl N2 Ru -","- C16 H23 Cl N2 Ru -","- C64 H92 Cl4 N8 Ru4 -","4","1","","Masato Ito; Takashi Ootsuka; Ryo Watari; Akira Shiibashi; Akio Himizu; Takao Ikariya","Catalytic Hydrogenation of Carboxamides and Esters by Well-Defined Cp*Ru Complexes Bearing a Protic Amine Ligand","Journal of the American Chemical Society","2011","133","","4240","4242","10.1021/ja1117254","","","0.7107","MoKα","","","0.0688","","","","0.2026","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105847","12.251","0.004","18.924","0.006","13.226","0.005","90","","115.098","0.012","90","","2776.8","1.7","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H63 B2 N7 O2 -","- C72 H63 B2 N7 O2 -","- C144 H126 B4 N14 O4 -","2","1","","Shin-ya Hayashi; Eiji Tsurumaki; Yasuhide Inokuma; Pyosang Kim; Young Mo Sung; Dongho Kim; Atsuhiro Osuka","Synthesis and Properties of Boron(III)-Coordinated Subbacteriochlorins","Journal of the American Chemical Society","2011","133","","4254","4256","10.1021/ja200669a","","","0.71075","MoKα","","0.1045","0.0631","","","0.1613","0.184","","","","","","1.016","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105848","9.0021","0.001","11.5914","0.0015","19.505","0.003","95.568","0.004","90.19","0.004","105.958","0.004","1946.7","0.4","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C42 H45 O0.5 P2 Si2 -","- C42 H45 O0.5 P2 Si2 -","- C84 H90 O P4 Si4 -","2","1","","Pauline Gualco; Abderrahmane Amgoune; Karinne Miqueu; Sonia Ladeira; Didier Bourissou","A Crystalline σ Complex of Copper","Journal of the American Chemical Society","2011","133","","4257","4259","10.1021/ja200789z","","x-ray","0.71073","MoKα","","0.0781","0.0514","","","0.1175","0.1299","","","","","","1.036","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105849","11.3864","0.0003","13.1062","0.0003","16.1426","0.0004","74.488","0.002","82.906","0.002","75.135","0.002","2239.67","0.1","193","2","193","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C41 H42 Cl6 Cu Ga P2 Si2 -","- C41 H42 Cl6 Cu Ga P2 Si2 -","- C82 H84 Cl12 Cu2 Ga2 P4 Si4 -","2","1","","Pauline Gualco; Abderrahmane Amgoune; Karinne Miqueu; Sonia Ladeira; Didier Bourissou","A Crystalline σ Complex of Copper","Journal of the American Chemical Society","2011","133","","4257","4259","10.1021/ja200789z","","x-ray","0.71073","MoKα","","0.1098","0.0498","","","0.0977","0.1177","","","","","","0.981","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105850","12.8111","0.001","13.1996","0.0011","15.216","0.0012","85.074","0.003","77.905","0.003","67.032","0.003","2316.4","0.3","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C41.5 H43 Ag Cl7 Ga P2 Si2 -","- C41.5 H43 Ag Cl7 Ga P2 Si2 -","- C83 H86 Ag2 Cl14 Ga2 P4 Si4 -","2","1","","Pauline Gualco; Abderrahmane Amgoune; Karinne Miqueu; Sonia Ladeira; Didier Bourissou","A Crystalline σ Complex of Copper","Journal of the American Chemical Society","2011","133","","4257","4259","10.1021/ja200789z","","x-ray","0.71073","MoKα","","0.0538","0.0419","","","0.1035","0.1107","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105851","6.716","0.004","10.752","0.006","26.541","0.014","90","","90","","90","","1916.5","1.9","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl2 N O Pt -","- C17 H25 Cl2 N O Pt -","- C68 H100 Cl8 N4 O4 Pt4 -","4","1","","Katsuhiko Tomooka; Takayuki Ezawa; Hiroko Inoue; Kazuhiro Uehara; Kazunobu Igawa","Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate","Journal of the American Chemical Society","2011","133","","1754","1756","10.1021/ja1092375","","","0.7107","MoKα","","","0.073","","","","0.1602","","","","","","1.135","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105852","14.2661","0.0005","15.0088","0.0005","15.1843","0.0005","91.591","0.002","99.021","0.002","115.438","0.002","2883.16","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H41 Cl Fe N2 O -","- C30 H41 Cl Fe N2 O -","- C120 H164 Cl4 Fe4 N8 O4 -","4","2","","Evan R. King; Elisabeth T. Hennessy; Theodore A. Betley","Catalytic C-H Bond Amination from High-Spin Iron Imido Complexes","Journal of the American Chemical Society","2011","133","","4917","4923","10.1021/ja110066j","","","0.71073","MoKα","","0.0692","0.0425","","","0.1029","0.1154","","","","","","1.018","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105853","14.497","0.003","16.196","0.003","18.331","0.003","90","","106.605","0.003","90","","4124.5","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H65 Cl Fe N2 O2 -","- C46 H65 Cl Fe N2 O2 -","- C184 H260 Cl4 Fe4 N8 O8 -","4","1","","Evan R. King; Elisabeth T. Hennessy; Theodore A. Betley","Catalytic C-H Bond Amination from High-Spin Iron Imido Complexes","Journal of the American Chemical Society","2011","133","","4917","4923","10.1021/ja110066j","","","0.71073","MoKα","","0.1005","0.0525","","","0.1202","0.1471","","","","","","1.008","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105854","12.535","0.0005","13.6512","0.0006","20.425","0.0008","75.509","0.002","85.664","0.002","65.022","0.002","3065.6","0.2","100","2","99.84","","","","","","","","","3","P -1","-P 1","2","(ArDpme)H","5-mesityl-1,9-di(2,4,6-triphenylphenyl)dipyrromethene","","- C84 H68 N2 -","- C84 H68 N2 -","- C168 H136 N4 -","2","1","","Evan R. King; Elisabeth T. Hennessy; Theodore A. Betley","Catalytic C-H Bond Amination from High-Spin Iron Imido Complexes","Journal of the American Chemical Society","2011","133","","4917","4923","10.1021/ja110066j","","","0.71073","MOKα","","0.0564","0.0426","","","0.1042","0.1138","","","","","","1.022","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105855","15.84","0.005","21.273","0.007","19.136","0.009","90","","108.066","0.005","90","","6130","4","100","2","99.83","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(ArDpme)FeCl","5-mesityl-1,9-di(2,4,6-triphenylphenyl)dipyrromethenato iron(II) chloride","","- C81.31 H64.31 Cl Fe N2 -","- C81.312 H64.312 Cl Fe N2 -","- C325.248 H257.248 Cl4 Fe4 N8 -","4","0.5","","Evan R. King; Elisabeth T. Hennessy; Theodore A. Betley","Catalytic C-H Bond Amination from High-Spin Iron Imido Complexes","Journal of the American Chemical Society","2011","133","","4917","4923","10.1021/ja110066j","","","0.71073","MOKα","","0.2403","0.0859","","","0.2152","0.3056","","","","","","1","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105856","14.4691","0.0012","21.4975","0.0018","23.56","0.002","94.342","0.001","93.778","0.001","102.927","0.001","7096.2","1","273","2","273","","","","","","","","","5","P -1","-P 1","2","((ArDpme)FeCl(NC6H5))2","bis(5-mesityl-1,9-di(2,4,6-triphenylphenyl)dipyrromethenato) diiron(III) dichloride mu-(N-imidocyclohexa-2,5-dien-1-yl)anilide","","- C168 H132 Cl2 Fe2 N6 -","- C168 H132 Cl2 Fe2 N6 -","- C336 H264 Cl4 Fe4 N12 -","2","1","","Evan R. King; Elisabeth T. Hennessy; Theodore A. Betley","Catalytic C-H Bond Amination from High-Spin Iron Imido Complexes","Journal of the American Chemical Society","2011","133","","4917","4923","10.1021/ja110066j","","","0.71073","MOKα","","0.1253","0.0563","","","0.1267","0.1449","","","","","","0.878","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105857","21.0117","0.001","12.2392","0.0006","25.0442","0.0012","90","","91.18","0.001","90","","6439.2","0.5","99.86","","99.86","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(ArDpme)FeCl(NC6H4tBu)","5-mesityl-1,9-di(2,4,6-triphenylphenyl)dipyrromethenato iron(III) chloride 4-tert-butylphenylimido radical","","- C81 H74 Cl Fe N3 -","- C81 H74 Cl Fe N3 -","- C324 H296 Cl4 Fe4 N12 -","4","1","","Evan R. King; Elisabeth T. Hennessy; Theodore A. Betley","Catalytic C-H Bond Amination from High-Spin Iron Imido Complexes","Journal of the American Chemical Society","2011","133","","4917","4923","10.1021/ja110066j","","","0.71073","MOKα","","0.0645","0.0423","","","0.0954","0.1074","","","","","","1.041","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105858","7.8804","0.0004","10.097","0.0005","18.4834","0.001","90","","95.244","0.004","90","","1464.54","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H27 Cl N2 O6 -","- C35 H27 Cl N2 O6 -","- C70 H54 Cl2 N4 O12 -","2","1","","Bin Tan; Nuno R. Candeias; Carlos F. Barbas","Core-Structure-Motivated Design of a Phosphine-Catalyzed [3 + 2] Cycloaddition Reaction: Enantioselective Syntheses of Spirocyclopenteneoxindoles","Journal of the American Chemical Society","2011","133","","4672","4675","10.1021/ja110147w","","","1.54178","CuKα","","0.0417","0.0345","","","0.0803","0.0845","","","","","","1.01","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105859","9.4","0.0018","10.1544","0.0019","30.775","0.006","90","","90","","90","","2937.5","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Cl N O7 -","- C30 H32 Cl N O7 -","- C120 H128 Cl4 N4 O28 -","4","1","","Bin Tan; Nuno R. Candeias; Carlos F. Barbas","Core-Structure-Motivated Design of a Phosphine-Catalyzed [3 + 2] Cycloaddition Reaction: Enantioselective Syntheses of Spirocyclopenteneoxindoles","Journal of the American Chemical Society","2011","133","","4672","4675","10.1021/ja110147w","","","0.71073","MoKα","","0.0359","0.0323","","","0.0755","0.0781","","","","","","1.04","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105860","10.8142","0.001","11.3685","0.0011","16.6972","0.0015","80.403","0.007","76.877","0.008","89.887","0.01","1969.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.53 H50.53 B2 I0.07 N12 U -","- C36.531 H50.531 B2 I0.067 N12 U -","- C73.062 H101.062 B4 I0.134 N24 U2 -","2","1","","Ellen M. Matson; William P. Forrest; Phillip E. Fanwick; Suzanne C. Bart","Functionalization of Carbon Dioxide and Carbon Disulfide Using a Stable Uranium(III) Alkyl Complex","Journal of the American Chemical Society","2011","133","","4948","4954","10.1021/ja110158s","","","1.54184","CU-Kα","","0.08","0.072","","","0.186","0.193","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105861","10.5432","0.0004","22.3645","0.0008","19.0939","0.0006","90","","92.703","0.002","90","","4497.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H59 B2 N12 O3 U -","- C42 H59 B2 N12 O3 U -","- C168 H236 B8 N48 O12 U4 -","4","1","","Ellen M. Matson; William P. Forrest; Phillip E. Fanwick; Suzanne C. Bart","Functionalization of Carbon Dioxide and Carbon Disulfide Using a Stable Uranium(III) Alkyl Complex","Journal of the American Chemical Society","2011","133","","4948","4954","10.1021/ja110158s","","","1.54184","CU-Kα","","0.066","0.061","","","0.164","0.171","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105862","18.311","0.002","12.1533","0.0014","20.892","0.003","90","","103.439","0.001","90","","4522","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H55 Fe N4 Si2 Y -","- C48 H55 Fe N4 Si2 Y -","- C192 H220 Fe4 N16 Si8 Y4 -","4","1","","Bryan N. Williams; Diego Benitez; Kevin L. Miller; Ekaterina Tkatchouk; William A. Goddard; Paula L. Diaconescu","An Unusual Hydrogen Migration/C-H Activation Reaction with Group 3 Metals","Journal of the American Chemical Society","2011","133","","4680","4683","10.1021/ja110505r","","","0.71073","MoKα","","0.0698","0.0429","","","0.0954","0.1061","","","","","","1.016","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105863","25.084","0.002","17.1073","0.0015","28.101","0.003","90","","110.8","0.001","90","","11272.8","1.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C116 H172 Fe2 N6 O4 Si4 Y2 -","- C116 H172 Fe2 N6 O4 Si4 Y2 -","- C464 H688 Fe8 N24 O16 Si16 Y8 -","4","1","","Bryan N. Williams; Diego Benitez; Kevin L. Miller; Ekaterina Tkatchouk; William A. Goddard; Paula L. Diaconescu","An Unusual Hydrogen Migration/C-H Activation Reaction with Group 3 Metals","Journal of the American Chemical Society","2011","133","","4680","4683","10.1021/ja110505r","","","0.71073","MoKα","","0.104","0.053","","","0.1107","0.1284","","","","","","1.008","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105864","18.664","0.004","21.774","0.004","18.892","0.004","90","","107.578","0.003","90","","7319","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C67 H112 Fe2 Lu2 N8 O Si4 -","- C67 H112 Fe2 Lu2 N8 O Si4 -","- C268 H448 Fe8 Lu8 N32 O4 Si16 -","4","0.5","","Bryan N. Williams; Diego Benitez; Kevin L. Miller; Ekaterina Tkatchouk; William A. Goddard; Paula L. Diaconescu","An Unusual Hydrogen Migration/C-H Activation Reaction with Group 3 Metals","Journal of the American Chemical Society","2011","133","","4680","4683","10.1021/ja110505r","","","0.71073","MoKα","","0.1185","0.0734","","","0.1402","0.1576","","","","","","1.128","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105865","13.5833","0.0005","15.993","0.0005","21.7485","0.0008","88.083","0.003","81.99","0.003","72.782","0.003","4468.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- H87 Na13 O90 P10 Pd15 -","- Na12.1 O89.25 P10 Pd15 -","- Na24.2 O178.5 P20 Pd30 -","2","1","","Feng Xu; Rachel A. Scullion; Jun Yan; Haralampos N. Miras; Christoph Busche; Antonino Scandurra; Bruno Pignataro; De-Liang Long; Leroy Cronin","A Supramolecular Heteropolyoxopalladate {Pd15} Cluster Host Encapsulating a {Pd2} Dinuclear Guest: [PdII2@{H7PdII15O10(PO4)10}]9-","Journal of the American Chemical Society","2011","133","","4684","4686","10.1021/ja1105514","","","1.54184","CuKα","","0.0759","0.0502","","","0.1246","0.1389","","","","","","1.016","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105866","14.91","0.0002","14.9327","0.0003","23.0483","0.0004","87.27","0.002","82.755","0.002","73.821","0.002","4888.62","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- H87 Na9 O90 P10 Pd17 -","- Na8.75 O90 P10 Pd17 -","- Na17.5 O180 P20 Pd34 -","2","1","","Feng Xu; Rachel A. Scullion; Jun Yan; Haralampos N. Miras; Christoph Busche; Antonino Scandurra; Bruno Pignataro; De-Liang Long; Leroy Cronin","A Supramolecular Heteropolyoxopalladate {Pd15} Cluster Host Encapsulating a {Pd2} Dinuclear Guest: [PdII2@{H7PdII15O10(PO4)10}]9-","Journal of the American Chemical Society","2011","133","","4684","4686","10.1021/ja1105514","","","1.54184","CuKα","","0.037","0.0319","","","0.0883","0.0916","","","","","","1.036","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105867","7.79779","0.00006","7.79779","","15.96933","0.00017","90","","90","","120","","840.931","0.011","298","","298","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- Al B5 H38 Li2 N6 -","- Al B5 H38 Li2 N6 -","- Al2 B10 H76 Li4 N12 -","2","0.166667","","Yanhui Guo; Hui Wu; Wei Zhou; Xuebin Yu","Dehydrogenation Tuning of Ammine Borohydrides Using Double-Metal Cations","Journal of the American Chemical Society","2011","133","","4690","4693","10.1021/ja1105893","powder diffraction","x-ray","1.2372","synchrotron","","","","","","","","0.0601","","1.795","","","","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105868","9.5175","0.0014","5.8072","0.0008","16.988","0.002","90","","90.954","0.002","90","","938.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","DPh-NDT4","DPh-NDT4","","- C26 H16 S2 -","- C26 H16 S2 -","- C52 H32 S4 -","2","0.5","","Shoji Shinamura; Itaru Osaka; Eigo Miyazaki; Akiko Nakao; Masakazu Yamagishi; Jun Takeya; Kazuo Takimiya","Linear- and Angular-Shaped Naphthodithiophenes: Selective Synthesis, Properties, and Application to Organic Field-Effect Transistors","Journal of the American Chemical Society","2011","133","","5024","5035","10.1021/ja110973m","","","0.7107","MoKα","","0.0707","0.0531","","","0.1408","0.1727","","","","","","0.81","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105869","6.334","0.002","7.462","0.005","19.516","0.002","90","","93.06","0.03","90","","921.1","0.7","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","DPh-BTBT","DPh-BTBT","","- C26 H16 S2 -","- C26 H16 S2 -","- C52 H32 S4 -","2","0.5","","Shoji Shinamura; Itaru Osaka; Eigo Miyazaki; Akiko Nakao; Masakazu Yamagishi; Jun Takeya; Kazuo Takimiya","Linear- and Angular-Shaped Naphthodithiophenes: Selective Synthesis, Properties, and Application to Organic Field-Effect Transistors","Journal of the American Chemical Society","2011","133","","5024","5035","10.1021/ja110973m","","","1","synchrotron","","0.1064","0.0843","","","0.2231","0.2377","","","","","","1.011","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105870","5.922","0.01","7.595","0.012","40.63","0.07","90","","93.753","0.006","90","","1824","5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","DPh-NDT1","DPh-NDT1","","- C26 H16 S2 -","- C27 H16 S1.62 -","- C108 H64 S6.48 -","4","1","","Shoji Shinamura; Itaru Osaka; Eigo Miyazaki; Akiko Nakao; Masakazu Yamagishi; Jun Takeya; Kazuo Takimiya","Linear- and Angular-Shaped Naphthodithiophenes: Selective Synthesis, Properties, and Application to Organic Field-Effect Transistors","Journal of the American Chemical Society","2011","133","","5024","5035","10.1021/ja110973m","","","0.7107","MoKα","","0.1334","0.0949","","","0.266","0.3005","","","","","","1.116","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105871","7.6089","0.0005","11.0529","0.0008","15.906","0.0011","90","","90","","90","","1337.7","0.16","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N3 O2 S -","- C15 H13 N O2 S -","- C60 H52 N4 O8 S4 -","4","1","","Benjamin J. Stokes; Sheng Liu; Tom G. Driver","Rh2(II)-Catalyzed Nitro-Group Migration Reactions: Selective Synthesis of 3-Nitroindoles from β-Nitro Styryl Azides","Journal of the American Chemical Society","2011","133","","4702","4705","10.1021/ja111060q","","","0.71073","MoKα","","0.0386","0.0358","","","0.0959","0.0976","","","","","","1.028","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105872","10.9831","0.0003","12.3901","0.0002","23.3125","0.0004","90","","90","","90","","3172.4","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 N5 O9 -","- C31 H35 N5 O9 -","- C124 H140 N20 O36 -","4","1","","Zhi-Jun Jia; Hao Jiang; Jun-Long Li; Björn Gschwend; Qing-Zhu Li; Xiang Yin; Julie Grouleff; Ying-Chun Chen; Karl Anker Jørgensen","Trienamines in Asymmetric Organocatalysis: Diels-Alder and Tandem Reactions","Journal of the American Chemical Society","2011","133","","5053","5061","10.1021/ja1112194","","","1.54184","CuKα","","0.0505","0.0472","","","0.128","0.131","","","","","","1.059","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105873","9.2525","0.0004","7.5766","0.0003","11.1876","0.0004","90","","103.735","0.002","90","","761.85","0.05","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C36 H44 O4 -","2","1","","Jørn H. Hansen; Timothy M. Gregg; Stephanie R. Ovalles; Yajing Lian; Jochen Autschbach; Huw M. L. Davies","On the Mechanism and Selectivity of the Combined C-H Activation/Cope Rearrangement","Journal of the American Chemical Society","2011","133","","5076","5085","10.1021/ja111408v","","","1.54178","CuKα","","0.0294","0.0292","","","0.0761","0.0762","","","","","","1.057","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105874","5.9374","0.0004","8.0353","0.0005","28.7626","0.0019","90","","90","","90","","1372.23","0.16","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C64 H60 Br4 O8 -","4","1","","Jørn H. Hansen; Timothy M. Gregg; Stephanie R. Ovalles; Yajing Lian; Jochen Autschbach; Huw M. L. Davies","On the Mechanism and Selectivity of the Combined C-H Activation/Cope Rearrangement","Journal of the American Chemical Society","2011","133","","5076","5085","10.1021/ja111408v","","","0.71073","MoKα","","0.0465","0.0337","","","0.0594","0.0629","","","","","","0.927","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105875","8.99","0.0008","15.464","0.0015","19.013","0.0019","89.362","0.005","87.15","0.005","84.547","0.005","2627.9","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","[(t-Bu2MeSi)4Ge4]Fe(CO)3","","- C39 H84 Fe Ge4 O3 Si4 -","- C39 H84 Fe Ge4 O3 Si4 -","- C78 H168 Fe2 Ge8 O6 Si8 -","2","1","","Vladimir Ya. Lee; Yuki Ito; Hiroyuki Yasuda; Kazunori Takanashi; Akira Sekiguchi","From Tetragermacyclobutene to Tetragermacyclobutadiene Dianion to Tetragermacyclobutadiene Transition Metal Complexes","Journal of the American Chemical Society","2011","133","","5103","5108","10.1021/ja111596g","","","0.7107","MoKα","","0.1082","0.0586","","","0.1391","0.1666","","","","","","0.954","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105876","19.3738","0.0008","15.928","0.0006","17.0381","0.0007","90","","90","","90","","5257.7","0.4","150","","150","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C41 H89 Co Ge4 Si4 -","- C41 H89 Co Ge4 Si4 -","- C164 H356 Co4 Ge16 Si16 -","4","0.5","","Vladimir Ya. Lee; Yuki Ito; Hiroyuki Yasuda; Kazunori Takanashi; Akira Sekiguchi","From Tetragermacyclobutene to Tetragermacyclobutadiene Dianion to Tetragermacyclobutadiene Transition Metal Complexes","Journal of the American Chemical Society","2011","133","","5103","5108","10.1021/ja111596g","","","0.71073","MoKα","","0.0326","0.0223","","","0.0511","0.0548","","","","","","1.042","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105877","41.297","0.0009","15.666","0.0007","17.271","0.0007","90","","112.773","0.002","90","","10302.6","0.7","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dichlorotetragermetene","","- C36 H84 Cl2 Ge4 Si4 -","- C36 H84 Cl2 Ge4 Si4 -","- C288 H672 Cl16 Ge32 Si32 -","8","1","","Vladimir Ya. Lee; Yuki Ito; Hiroyuki Yasuda; Kazunori Takanashi; Akira Sekiguchi","From Tetragermacyclobutene to Tetragermacyclobutadiene Dianion to Tetragermacyclobutadiene Transition Metal Complexes","Journal of the American Chemical Society","2011","133","","5103","5108","10.1021/ja111596g","","","0.7107","MoKα","","0.0613","0.0432","","","0.1108","0.1203","","","","","","0.997","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105878","10.0066","0.0005","11.3661","0.0006","12.8556","0.0009","62.181","0.002","77.287","0.002","70.1211","0.0014","1212.79","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 N2 O2 Si -","- C33 H22 N2 O2 Si -","- C66 H44 N4 O4 Si2 -","2","1","","Naoya Sakamoto; Chusaku Ikeda; Masaki Yamamura; Tatsuya Nabeshima","Structural Interconversion and Regulation of Optical Properties of Stable Hypercoordinate Dipyrrin-Silicon Complexes","Journal of the American Chemical Society","2011","133","","4726","4729","10.1021/ja2001924","","","0.71075","MoKα","","0.0807","0.0627","","","0.1492","0.1564","","","","","","1.101","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105879","10.6726","0.0012","10.9105","0.0009","11.2603","0.0012","65.661","0.002","76.871","0.003","87.781","0.003","1161.2","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 N2 O2.5 Si -","- C30 H23 N2 O2.5 Si -","- C60 H46 N4 O5 Si2 -","2","1","","Naoya Sakamoto; Chusaku Ikeda; Masaki Yamamura; Tatsuya Nabeshima","Structural Interconversion and Regulation of Optical Properties of Stable Hypercoordinate Dipyrrin-Silicon Complexes","Journal of the American Chemical Society","2011","133","","4726","4729","10.1021/ja2001924","","","0.71075","MoKα","","0.0893","0.0562","","","0.1392","0.1617","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105880","10.346","0.002","12.941","0.002","11.634","0.0017","90","","90","","90","","1557.6","0.4","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H22 Er -","- C18 H22 Er -","- C72 H88 Er4 -","4","0.5","","Shang-Da Jiang; Bing-Wu Wang; Hao-Ling Sun; Zhe-Ming Wang; Song Gao","An Organometallic Single-Ion Magnet","Journal of the American Chemical Society","2011","133","","4730","4733","10.1021/ja200198v","","","0.71073","MoKα","","0.025","0.0235","","","0.0607","0.0616","","","","","","1.112","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105881","10.3701","0.0007","12.8625","0.001","11.5956","0.0007","90","","90","","90","","1546.68","0.18","20","2","20","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Er -","- C18 H23 Er -","- C72 H92 Er4 -","4","0.5","","Shang-Da Jiang; Bing-Wu Wang; Hao-Ling Sun; Zhe-Ming Wang; Song Gao","An Organometallic Single-Ion Magnet","Journal of the American Chemical Society","2011","133","","4730","4733","10.1021/ja200198v","","","0.71073","MoKα","","0.0621","0.0522","","","0.1237","0.1292","","","","","","1.081","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105882","10.1588","0.0007","12.8965","0.001","11.7144","0.0008","90","","90","","90","","1534.74","0.19","10","2","10","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Er -","- C18 H23 Er -","- C72 H92 Er4 -","4","0.5","","Shang-Da Jiang; Bing-Wu Wang; Hao-Ling Sun; Zhe-Ming Wang; Song Gao","An Organometallic Single-Ion Magnet","Journal of the American Chemical Society","2011","133","","4730","4733","10.1021/ja200198v","","","0.71073","MoKα","","0.0696","0.0561","","","0.1354","0.1431","","","","","","1.082","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105883","5.8881","0.0002","12.0278","0.0003","24.8051","0.0007","90","","90","","90","","1756.72","0.09","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Br N2 O -","- C22 H17 Br N2 O -","- C88 H68 Br4 N8 O4 -","4","1","","Kevin M. Oberg; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [4 + 2] Cycloaddition of α,β-Unsaturated Imines and Isocyanates","Journal of the American Chemical Society","2011","133","","4785","4787","10.1021/ja200766k","","","0.71073","MoKα","","0.0869","0.0497","","","0.1249","0.1933","","","","","","1.143","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105884","6.3135","0.0004","10.2813","0.001","13.8719","0.001","76.283","0.007","85.876","0.006","77.838","0.007","854.9","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C36 H48 N4 O4 -","2","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.0887","0.0427","","","0.0812","0.0891","","","","","","0.83","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105885","14.5171","0.0009","11.6682","0.0008","12.0141","0.0008","90","","98.276","0.007","90","","2013.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O2 -","- C23 H26 N2 O2 -","- C92 H104 N8 O8 -","4","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.0734","0.0351","","","0.0634","0.068","","","","","","0.806","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105886","31.5413","0.0005","5.4905","0.0001","25.8592","0.0004","90","","110.793","0.0008","90","","4186.55","0.12","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 F3 N O2 S -","- C23 H26 F3 N O2 S -","- C184 H208 F24 N8 O16 S8 -","8","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.0516","0.0383","","","0.0876","0.0938","","","","","","1.088","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105887","5.4884","0.0002","11.8978","0.0008","14.2002","0.0007","77.357","0.005","86.323","0.004","87.651","0.004","902.58","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N2 O2 S -","- C20 H22 N2 O2 S -","- C40 H44 N4 O4 S2 -","2","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.0646","0.0371","","","0.0797","0.0847","","","","","","0.886","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105888","22.4013","0.0009","14.5197","0.0005","15.9116","0.0007","90","","116.267","0.0019","90","","4641","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 F3 N2 O2 S -","- C26 H23 F3 N2 O2 S -","- C208 H184 F24 N16 O16 S8 -","8","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.0757","0.0448","","","0.0959","0.1096","","","","","","1.009","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105889","22.3664","0.0008","14.5275","0.0006","15.9004","0.0005","90","","116.21","0.0018","90","","4635.3","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 F3 N2 O2 S -","- C26 H23 F3 N2 O2 S -","- C208 H184 F24 N16 O16 S8 -","8","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.0916","0.0484","","","0.1124","0.1319","","","","","","1.037","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105890","7.4047","0.0006","9.5212","0.0009","13.7988","0.0011","88.074","0.007","76.203","0.007","87.599","0.007","943.66","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N2 O2 S -","- C20 H22 N2 O2 S -","- C40 H44 N4 O4 S2 -","2","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.1365","0.0539","","","0.1011","0.1174","","","","","","0.831","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105891","10.1552","0.0005","11.7039","0.0005","16.2918","0.0008","90","","98.366","0.004","90","","1915.76","0.16","243","2","243","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 F3 N O2 S -","- C20 H22 F3 N O2 S -","- C80 H88 F12 N4 O8 S4 -","4","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.0622","0.0368","","","0.079","0.084","","","","","","0.881","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105892","6.5385","0.0003","11.894","0.0006","19.4196","0.0009","90","","90","","90","","1510.24","0.12","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C76 H80 O8 -","4","1","","Jennifer A. Dabrowski; Fang Gao; Amir H. Hoveyda","Enantioselective Synthesis of Alkyne-Substituted Quaternary Carbon Stereogenic Centers through NHC-Cu-Catalyzed Allylic Substitution Reactions with (i-Bu)2(Alkynyl)aluminum Reagents","Journal of the American Chemical Society","2011","133","","4778","4781","10.1021/ja2010829","","","1.54178","CuKα","","0.0278","0.0271","","","0.0719","0.0726","","","","","","1.056","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105893","7.0396","0.0007","6.0088","0.0007","27.483","0.003","90","","91.773","0.006","90","","1162","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 Br O2 -","- C13 H11 Br O2 -","- C52 H44 Br4 O8 -","4","2","","Jennifer A. Dabrowski; Fang Gao; Amir H. Hoveyda","Enantioselective Synthesis of Alkyne-Substituted Quaternary Carbon Stereogenic Centers through NHC-Cu-Catalyzed Allylic Substitution Reactions with (i-Bu)2(Alkynyl)aluminum Reagents","Journal of the American Chemical Society","2011","133","","4778","4781","10.1021/ja2010829","","","0.71073","MoKα","","0.0669","0.045","","","0.0769","0.0823","","","","","","1.04","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105894","13.1544","0.0009","13.1544","0.0009","12.0402","0.0008","90","","90","","90","","2083.4","0.2","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C12 H28 Cl2 Cu8 N48 O11 -","- C12 H8 Cl2 Cu8 N48 O11 -","- C24 H16 Cl4 Cu16 N96 O22 -","2","0.125","","Xian-Ming Zhang; Jin Lv; Fang Ji; Hai-Shun Wu; Haijun Jiao; Paul V. R. Schleyer","A Perfectly Square-Planar Tetracoordinated Oxygen in a Tetracopper Cluster-Based Coordination Polymer","Journal of the American Chemical Society","2011","133","","4788","4790","10.1021/ja201525a","","","0.71073","MoKα","","0.0663","0.0632","","","0.1727","0.1752","","","","","","1.115","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105895","10.4807","0.0005","10.5015","0.0005","11.4678","0.0005","64.937","0.002","66.519","0.002","79.936","0.002","1048.63","0.09","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Dy2 N8 O14 -","- C40 H46 Dy2 N8 O14 -","- C40 H46 Dy2 N8 O14 -","1","0.5","","Jérôme Long; Fatemah Habib; Po-Heng Lin; Ilia Korobkov; Gary Enright; Liviu Ungur; Wolfgang Wernsdorfer; Liviu F. Chibotaru; Muralee Murugesu","Single-Molecule Magnet Behavior for an Antiferromagnetically Superexchange-Coupled Dinuclear Dysprosium(III) Complex","Journal of the American Chemical Society","2011","133","","5319","5328","10.1021/ja109706y","","","0.71073","MoKα","","0.0155","0.0145","","","0.0354","0.0358","","","","","","1.072","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105896","10.5977","0.0005","10.642","0.0005","11.5192","0.0006","65.341","0.002","64.813","0.002","80.419","0.002","1068.32","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Eu2 N8 O14 -","- C40 H46 Eu2 N8 O14 -","- C40 H46 Eu2 N8 O14 -","1","0.5","","Jérôme Long; Fatemah Habib; Po-Heng Lin; Ilia Korobkov; Gary Enright; Liviu Ungur; Wolfgang Wernsdorfer; Liviu F. Chibotaru; Muralee Murugesu","Single-Molecule Magnet Behavior for an Antiferromagnetically Superexchange-Coupled Dinuclear Dysprosium(III) Complex","Journal of the American Chemical Society","2011","133","","5319","5328","10.1021/ja109706y","","","0.71073","MoKα","","0.0194","0.0181","","","0.044","0.0447","","","","","","1.058","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105897","10.5766","0.0005","10.5991","0.0005","11.5192","0.0005","65.184","0.001","65.482","0.001","80.293","0.001","1066.38","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 Gd N4 O7 -","- C20 H23 Gd N4 O7 -","- C40 H46 Gd2 N8 O14 -","2","1","","Jérôme Long; Fatemah Habib; Po-Heng Lin; Ilia Korobkov; Gary Enright; Liviu Ungur; Wolfgang Wernsdorfer; Liviu F. Chibotaru; Muralee Murugesu","Single-Molecule Magnet Behavior for an Antiferromagnetically Superexchange-Coupled Dinuclear Dysprosium(III) Complex","Journal of the American Chemical Society","2011","133","","5319","5328","10.1021/ja109706y","","","0.71073","MoKα","","0.022","0.0215","","","0.0531","0.0534","","","","","","1.012","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105898","10.533","0.0007","10.5394","0.0009","11.5002","0.0009","66.484","0.004","65.036","0.004","79.837","0.004","1061.21","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Ho2 N8 O14 -","- C40 H46 Ho2 N8 O14 -","- C40 H46 Ho2 N8 O14 -","1","0.5","","Jérôme Long; Fatemah Habib; Po-Heng Lin; Ilia Korobkov; Gary Enright; Liviu Ungur; Wolfgang Wernsdorfer; Liviu F. Chibotaru; Muralee Murugesu","Single-Molecule Magnet Behavior for an Antiferromagnetically Superexchange-Coupled Dinuclear Dysprosium(III) Complex","Journal of the American Chemical Society","2011","133","","5319","5328","10.1021/ja109706y","","","0.71073","MoKα","","0.0198","0.0191","","","0.0503","0.0508","","","","","","1.037","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105899","10.5536","0.0003","10.5537","0.0003","11.4994","0.0003","66.171","0.001","65.016","0.001","80.009","0.001","1061.98","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 N8 O14 Tb2 -","- C40 H46 N8 O14 Tb2 -","- C40 H46 N8 O14 Tb2 -","1","0.5","","Jérôme Long; Fatemah Habib; Po-Heng Lin; Ilia Korobkov; Gary Enright; Liviu Ungur; Wolfgang Wernsdorfer; Liviu F. Chibotaru; Muralee Murugesu","Single-Molecule Magnet Behavior for an Antiferromagnetically Superexchange-Coupled Dinuclear Dysprosium(III) Complex","Journal of the American Chemical Society","2011","133","","5319","5328","10.1021/ja109706y","","","0.71073","MoKα","","0.0215","0.0206","","","0.0538","0.0542","","","","","","1.063","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105900","10.5104","0.0004","10.5297","0.0004","11.4828","0.0004","66.414","0.002","65.126","0.001","79.981","0.002","1056.59","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Ho2 N8 O14 -","- C40 H46 Ho2 N8 O14 -","- C40 H46 Ho2 N8 O14 -","1","0.5","","Jérôme Long; Fatemah Habib; Po-Heng Lin; Ilia Korobkov; Gary Enright; Liviu Ungur; Wolfgang Wernsdorfer; Liviu F. Chibotaru; Muralee Murugesu","Single-Molecule Magnet Behavior for an Antiferromagnetically Superexchange-Coupled Dinuclear Dysprosium(III) Complex","Journal of the American Chemical Society","2011","133","","5319","5328","10.1021/ja109706y","","","0.71073","MoKα","","0.0131","0.013","","","0.0346","0.0347","","","","","","1.057","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105901","11.2618","0.0004","16.3286","0.0005","30.5547","0.001","90","","100.351","0.002","90","","5527.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H42 Gd N7 O14 -","- C17 H29.5 Gd N7 O14 -","- C136 H236 Gd8 N56 O112 -","8","2","","Daniel J. Mastarone; Victoria S. R. Harrison; Amanda L. Eckermann; Giacomo Parigi; Claudio Luchinat; Thomas J. Meade","A Modular System for the Synthesis of Multiplexed Magnetic Resonance Probes","Journal of the American Chemical Society","2011","133","","5329","5337","10.1021/ja1099616","","","0.71073","MoKα","","0.0673","0.0616","","","0.1666","0.1684","","","","","","1.841","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105902","14.76","0.005","10.519","0.003","17.152","0.006","90","","97.265","0.005","90","","2641.6","1.5","107.1","","107.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H32 F16 N4 O8 Ru2 -","- C54 H32 F16 N4 O8 Ru2 -","- C108 H64 F32 N8 O16 Ru4 -","2","0.5","","Hitoshi Miyasaka; Natsuko Motokawa; Tamiko Chiyo; Miho Takemura; Masahiro Yamashita; Hajime Sagayama; Taka-hisa Arima","Stepwise Neutral-Ionic Phase Transitions in a Covalently Bonded Donor/Acceptor Chain Compound","Journal of the American Chemical Society","2011","133","","5338","5345","10.1021/ja110007u","","","0.71075","MoKα","","","0.0527","","","","0.1195","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105903","14.803","0.002","21.2201","0.0004","20.4174","0.0009","121.201","0.002","96.222","0.01","90.121","0.004","5440.7","0.8","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H32 F16 N4 O8 Ru2 -","- C54 F16 N4 O8 Ru2 -","- C216 F64 N16 O32 Ru8 -","4","2","","Hitoshi Miyasaka; Natsuko Motokawa; Tamiko Chiyo; Miho Takemura; Masahiro Yamashita; Hajime Sagayama; Taka-hisa Arima","Stepwise Neutral-Ionic Phase Transitions in a Covalently Bonded Donor/Acceptor Chain Compound","Journal of the American Chemical Society","2011","133","","5338","5345","10.1021/ja110007u","","","0.6885","","","0.0663","0.0381","","","0.0943","0.1177","","","","","","0.87","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105904","10.3611","0.0011","11.5566","0.0013","13.457","0.002","96.926","0.006","106.836","0.006","116.529","0.004","1319.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H42 N2 Si2 Ti -","- C25 H42 N2 Si2 Ti -","- C50 H84 N4 Si4 Ti2 -","2","1","","Katharina Kaleta; Martin Ruhmann; Oliver Theilmann; Torsten Beweries; Subhendu Roy; Perdita Arndt; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Group 4 Metallocene Alkyne Complexes with Carbodiimides: Experimental and Theoretical Studies of the Structure and Bonding of Five-Membered Hetero-Metallacycloallenes","Journal of the American Chemical Society","2011","133","","5463","5473","10.1021/ja111479j","","","0.71073","MoKα","","0.1002","0.0504","","","0.0956","0.1076","","","","","","0.989","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105905","10.4688","0.0003","12.266","0.0004","13.3377","0.0004","78.808","0.001","85.741","0.001","69.627","0.001","1574.99","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H50 N2 Si2 Zr -","- C31 H50 N2 Si2 Zr -","- C62 H100 N4 Si4 Zr2 -","2","1","","Katharina Kaleta; Martin Ruhmann; Oliver Theilmann; Torsten Beweries; Subhendu Roy; Perdita Arndt; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Group 4 Metallocene Alkyne Complexes with Carbodiimides: Experimental and Theoretical Studies of the Structure and Bonding of Five-Membered Hetero-Metallacycloallenes","Journal of the American Chemical Society","2011","133","","5463","5473","10.1021/ja111479j","","","0.71073","MoKα","","0.0344","0.0278","","","0.0705","0.0731","","","","","","1.047","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105906","16.8952","0.0006","31.7271","0.0009","11.7933","0.0003","90","","90","","90","","6321.6","0.3","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C33 H42 N2 Si2 Zr -","- C33 H42 N2 Si2 Zr -","- C264 H336 N16 Si16 Zr8 -","8","1","","Katharina Kaleta; Martin Ruhmann; Oliver Theilmann; Torsten Beweries; Subhendu Roy; Perdita Arndt; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Group 4 Metallocene Alkyne Complexes with Carbodiimides: Experimental and Theoretical Studies of the Structure and Bonding of Five-Membered Hetero-Metallacycloallenes","Journal of the American Chemical Society","2011","133","","5463","5473","10.1021/ja111479j","","","0.71073","MoKα","","0.0484","0.0255","","","0.0506","0.0535","","","","","","0.825","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105907","8.104","0.0006","10.3858","0.0007","12.3515","0.0009","94.436","0.003","94.238","0.003","103.346","0.003","1003.96","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H48 N4 Ti2 -","- C50 H48 N4 Ti2 -","- C50 H48 N4 Ti2 -","1","0.5","","Katharina Kaleta; Martin Ruhmann; Oliver Theilmann; Torsten Beweries; Subhendu Roy; Perdita Arndt; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Group 4 Metallocene Alkyne Complexes with Carbodiimides: Experimental and Theoretical Studies of the Structure and Bonding of Five-Membered Hetero-Metallacycloallenes","Journal of the American Chemical Society","2011","133","","5463","5473","10.1021/ja111479j","","","0.71073","MoKα","","0.1279","0.0536","","","0.1146","0.1328","","","","","","0.907","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105908","13.2972","0.0007","13.2921","0.0007","17.5488","0.0009","90","","102.863","0.003","90","","3023.9","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","Hg-pyrenyl-phosphoramid-AuCl","toste29","","- C69 H56 Au Cl3 N O2 P -","- C69 H56 Au Cl3 N O2 P -","- C138 H112 Au2 Cl6 N2 O4 P2 -","2","1","","Ana Z. González; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; F. Dean Toste","Phosphoramidite Gold(I)-Catalyzed Diastereo- and Enantioselective Synthesis of 3,4-Substituted Pyrrolidines","Journal of the American Chemical Society","2011","133","","5500","5507","10.1021/ja200084a","","","1.54178","CuKα","","0.0437","0.0418","","","0.1263","0.128","","","","","","1.151","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4105909","8.5886","0.0003","18.2238","0.0006","16.121","0.0005","90","","95.129","0.002","90","","2513.11","0.14","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","AG04-169","toste31","","- C68 H54 Au Cl N O2 P -","- C68 H54 Au Cl N O2 P -","- C136 H108 Au2 Cl2 N2 O4 P2 -","2","1","","Ana Z. González; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; F. Dean Toste","Phosphoramidite Gold(I)-Catalyzed Diastereo- and Enantioselective Synthesis of 3,4-Substituted Pyrrolidines","Journal of the American Chemical Society","2011","133","","5500","5507","10.1021/ja200084a","","","1.54184","CuKα","","0.0226","0.0216","","","0.052","0.0525","","","","","","1.019","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4105910","8.3457","0.0005","20.6561","0.0012","44.304","0.002","90","","90","","90","","7637.5","0.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","AG05-28","toste32","","- C84 H57 Au Cl F12 N O2 P -","- C84 H57 Au Cl F12 N O2 P -","- C336 H228 Au4 Cl4 F48 N4 O8 P4 -","4","1","","Ana Z. González; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; F. Dean Toste","Phosphoramidite Gold(I)-Catalyzed Diastereo- and Enantioselective Synthesis of 3,4-Substituted Pyrrolidines","Journal of the American Chemical Society","2011","133","","5500","5507","10.1021/ja200084a","","","1.54178","CuKα","","0.133","0.113","","","0.2939","0.3096","","","","","","1.078","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4105911","10.4997","0.0008","8.3483","0.0006","11.8012","0.0007","90","","91.036","0.005","90","","1034.26","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","AG04-186H","toste30","","- C22 H25 N O4 S -","- C22 H25 N O4 S -","- C44 H50 N2 O8 S2 -","2","1","","Ana Z. González; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; F. Dean Toste","Phosphoramidite Gold(I)-Catalyzed Diastereo- and Enantioselective Synthesis of 3,4-Substituted Pyrrolidines","Journal of the American Chemical Society","2011","133","","5500","5507","10.1021/ja200084a","","","1.54178","CuKα","","0.0763","0.0624","","","0.1567","0.1679","","","","","","1.031","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4105912","8.4998","0.0006","7.2826","0.0005","27.425","0.003","90","","90","","90","","1697.6","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H2 I2 K O9 V -","- H2 I2 K O9 V -","- H16 I16 K8 O72 V8 -","8","1","","Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of New Second-Order Nonlinear Optical Materials in the Potassium Vanadyl Iodate System","Journal of the American Chemical Society","2011","133","","5561","5572","10.1021/ja200257a","","","0.71073","MoKα","","0.023","0.0217","","","0.0444","0.045","","","","","","1.205","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105913","5.8083","0.0014","8.793","0.002","16.785","0.004","90","","90","","90","","857.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H2 I2 K O9 V -","- H2 I2 K O9 V -","- H8 I8 K4 O36 V4 -","4","1","","Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of New Second-Order Nonlinear Optical Materials in the Potassium Vanadyl Iodate System","Journal of the American Chemical Society","2011","133","","5561","5572","10.1021/ja200257a","","","0.71073","MoKα","","0.0308","0.0302","","","0.0716","0.0723","","","","","","1.061","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105914","7.43","0.002","7.801","0.003","16.053","0.006","97.207","0.003","99.73","0.006","91.882","0.005","908.4","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- H7 I11 K4 O38 V2 -","- H7 I11 K4 O38 V2 -","- H7 I11 K4 O38 V2 -","1","1","","Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of New Second-Order Nonlinear Optical Materials in the Potassium Vanadyl Iodate System","Journal of the American Chemical Society","2011","133","","5561","5572","10.1021/ja200257a","","","0.71073","MoKα","","0.0309","0.0272","","","0.0532","0.0543","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105915","14.136","0.003","10.201","0.0017","8.0638","0.0011","90","","90","","90","","1162.8","0.4","293","2","293","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- I3 K O13 V2 -","- I3 K O13 V2 -","- I12 K4 O52 V8 -","4","0.5","","Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of New Second-Order Nonlinear Optical Materials in the Potassium Vanadyl Iodate System","Journal of the American Chemical Society","2011","133","","5561","5572","10.1021/ja200257a","","","0.71073","MoKα","","0.0456","0.0443","","","0.105","0.1057","","","","","","1.133","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105916","10.4988","0.0003","16.2306","0.0006","16.2841","0.0003","90","","90.008","0.002","90","","2774.84","0.14","100","2","100","2","","","","","","","","7","P 1 2/m 1","-P 2y","10","","","","- C51 H34 Br2 N2 O8 Si Zn2 -","- C51 H34 Br2 N2 O8 Si Zn2 -","- C51 H34 Br2 N2 O8 Si Zn2 -","1","0.25","","Chang Yeon Lee; Youn-Sang Bae; Nak Cheon Jeong; Omar K. Farha; Amy A. Sarjeant; Charlotte L. Stern; Peter Nickias; Randall Q. Snurr; Joseph T. Hupp; SonBinh T. Nguyen","Kinetic Separation of Propene and Propane in Metal-Organic Frameworks: Controlling Diffusion Rates in Plate-Shaped Crystals via Tuning of Pore Apertures and Crystallite Aspect Ratios","Journal of the American Chemical Society","2011","133","","5228","5231","10.1021/ja200553m","","","1.54178","CuKα","","0.1241","0.0997","","","0.2622","0.2737","","","","","","1.798","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105917","11.106","0.002","15.916","0.002","16.224","0.003","90","","101.594","0.015","90","","2809.3","0.8","100","2","100","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C16.5 H10.5 Br0.5 N2 O3.5 Zn0.5 -","- C12 H6 Br0.5 N0.5 O2 Zn0.5 -","- C48 H24 Br2 N2 O8 Zn2 -","4","1","","Chang Yeon Lee; Youn-Sang Bae; Nak Cheon Jeong; Omar K. Farha; Amy A. Sarjeant; Charlotte L. Stern; Peter Nickias; Randall Q. Snurr; Joseph T. Hupp; SonBinh T. Nguyen","Kinetic Separation of Propene and Propane in Metal-Organic Frameworks: Controlling Diffusion Rates in Plate-Shaped Crystals via Tuning of Pore Apertures and Crystallite Aspect Ratios","Journal of the American Chemical Society","2011","133","","5228","5231","10.1021/ja200553m","","","1.54178","CuKα","","0.1312","0.08","","","0.1897","0.2098","","","","","","0.854","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105918","11.2539","0.0019","15.772","0.002","16.175","0.003","90","","98.771","0.014","90","","2837.4","0.8","100","2","100","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C48 H27 N2 O8 Zn2 -","- C48 H26 N2 O8 Zn2 -","- C48 H26 N2 O8 Zn2 -","1","0.25","","Chang Yeon Lee; Youn-Sang Bae; Nak Cheon Jeong; Omar K. Farha; Amy A. Sarjeant; Charlotte L. Stern; Peter Nickias; Randall Q. Snurr; Joseph T. Hupp; SonBinh T. Nguyen","Kinetic Separation of Propene and Propane in Metal-Organic Frameworks: Controlling Diffusion Rates in Plate-Shaped Crystals via Tuning of Pore Apertures and Crystallite Aspect Ratios","Journal of the American Chemical Society","2011","133","","5228","5231","10.1021/ja200553m","","","1.54178","CuKα","","0.1142","0.0819","","","0.202","0.2178","","","","","","0.928","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105919","13.2256","0.0007","13.4893","0.0007","15.221","0.0008","90","","90","","90","","2715.5","0.2","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Bi N2 O2 -","- C28 H37 Bi N2 O2 -","- C112 H148 Bi4 N8 O8 -","4","1","","Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans","Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2-","Journal of the American Chemical Society","2011","133","","5244","5247","10.1021/ja201128d","","","0.71073","MoKα","","0.0152","0.0146","","","0.0356","0.0358","","","","","","1.026","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105920","53.677","0.003","10.8825","0.0006","39.936","0.003","90","","130.678","0.001","90","","17691.8","1.9","143","2","143","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H53 Bi N2 O2 -","- C36 H53 Bi N2 O2 -","- C720 H1060 Bi20 N40 O40 -","20","2.5","","Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans","Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2-","Journal of the American Chemical Society","2011","133","","5244","5247","10.1021/ja201128d","","","0.71073","MoKα","","0.0302","0.0226","","","0.0487","0.0507","","","","","","1.022","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105921","10.1403","0.0006","14.399","0.0008","18.6374","0.001","98.9882","0.0006","96.4784","0.0006","90.1828","0.0006","2670.1","0.3","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H40.5 Bi N2.5 O -","- C27 H40.5 Bi N2.5 O -","- C108 H162 Bi4 N10 O4 -","4","2","","Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans","Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2-","Journal of the American Chemical Society","2011","133","","5244","5247","10.1021/ja201128d","","","0.71073","MoKα","","0.0183","0.0165","","","0.0392","0.0399","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105922","18.0313","0.0014","10.084","0.0008","16.5021","0.0013","90","","90","","90","","3000.5","0.4","143","2","143","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H45 Bi N2 O -","- C32 H45 Bi N2 O -","- C128 H180 Bi4 N8 O4 -","4","1","","Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans","Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2-","Journal of the American Chemical Society","2011","133","","5244","5247","10.1021/ja201128d","","","0.71073","MoKα","","0.0263","0.0199","","","0.0441","0.046","","","","","","0.977","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105923","10.8059","0.0007","13.1895","0.0009","17.5277","0.0017","98.213","0.001","92.668","0.001","113.565","0.001","2251.5","0.3","138","2","138","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H60 B Bi N2 O -","- C50 H60 B Bi N2 O -","- C100 H120 B2 Bi2 N4 O2 -","2","1","","Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans","Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2-","Journal of the American Chemical Society","2011","133","","5244","5247","10.1021/ja201128d","","","0.71073","MoKα","","0.0271","0.0235","","","0.0581","0.0596","","","","","","1.051","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105924","11.3693","0.0007","29.7135","0.0019","13.0038","0.0008","90","","114.79","0.0007","90","","3988.2","0.4","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H65 Bi N2 O2 -","- C42 H65 Bi N2 O2 -","- C168 H260 Bi4 N8 O8 -","4","1","","Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans","Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2-","Journal of the American Chemical Society","2011","133","","5244","5247","10.1021/ja201128d","","","0.71073","MoKα","","0.0508","0.0373","","","0.0823","0.0855","","","","","","1.113","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105925","28.8523","0.0015","17.1852","0.0009","15.6207","0.0008","90","","90","","90","","7745.3","0.7","110","2","110","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C42.24 H42.1 Cl2.14 Ir N2 O5.62 S -","- C42.24 H42.1 Cl2.14 Ir N2 O5.62 S -","- C337.92 H336.8 Cl17.12 Ir8 N16 O44.96 S8 -","8","1","","Amedeo Santoro; Anton M. Prokhorov; Valery N. Kozhevnikov; Adrian C. Whitwood; Bertrand Donnio; J. A. Gareth Williams; Duncan W. Bruce","Emissive Metallomesogens Based on 2-Phenylpyridine Complexes of Iridium(III)","Journal of the American Chemical Society","2011","133","","5248","5251","10.1021/ja201245s","","","0.71073","MoKα","","0.0487","0.0278","","","0.0649","0.0756","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105926","15.687","0.004","20.31","0.005","25.983","0.007","95.152","0.004","92.776","0.004","106.6","0.004","7877","4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H47.5 K Mn N7 O4.5 -","- C26.25 H45.25 K Mn N7 O4.5 -","- C210 H362 K8 Mn8 N56 O36 -","8","4","","Ryan L. Shook; Sonja M. Peterson; John Greaves; Curtis Moore; Arnold L. Rheingold; A. S. Borovik","Catalytic Reduction of Dioxygen to Water with a Monomeric Manganese Complex at Room Temperature","Journal of the American Chemical Society","2011","133","","5810","5817","10.1021/ja106564a","","","0.71073","MoKα","","0.1318","0.0918","","","0.258","0.2771","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105927","4.752","0.0004","13.15","0.0004","15.353","0.0011","90","","90","","90","","959.39","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","apsph","","","- C10 H6 O S3 -","- C10 H6 O S3 -","- C40 H24 O4 S12 -","4","1","","Richard S. Grainger; Bhaven Patel; Benson M. Kariuki; Louise Male; Neil Spencer","Sulfur Monoxide Transfer from peri-Substituted Trisulfide-2-oxides to Dienes: Substituent Effects, Mechanistic Studies and Application in Thiophene Synthesis","Journal of the American Chemical Society","2011","133","","5843","5852","10.1021/ja108865w","","","0.71073","MoKα","","0.0512","0.0402","","","0.089","0.0935","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105928","9.1363","0.0004","9.4337","0.0005","10.8331","0.0005","99.464","0.003","108.734","0.002","92.962","0.003","866.72","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 O S3 -","- C18 H22 O S3 -","- C36 H44 O2 S6 -","2","1","","Richard S. Grainger; Bhaven Patel; Benson M. Kariuki; Louise Male; Neil Spencer","Sulfur Monoxide Transfer from peri-Substituted Trisulfide-2-oxides to Dienes: Substituent Effects, Mechanistic Studies and Application in Thiophene Synthesis","Journal of the American Chemical Society","2011","133","","5843","5852","10.1021/ja108865w","","","1.54178","CuKα","","0.0682","0.049","","","0.1217","0.1739","","","","","","1.209","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105929","10.1383","0.0018","6.9855","0.0013","17.52","0.003","90","","95.936","0.009","90","","1234.1","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O3 S3 -","- C12 H10 O3 S3 -","- C48 H40 O12 S12 -","4","1","","Richard S. Grainger; Bhaven Patel; Benson M. Kariuki; Louise Male; Neil Spencer","Sulfur Monoxide Transfer from peri-Substituted Trisulfide-2-oxides to Dienes: Substituent Effects, Mechanistic Studies and Application in Thiophene Synthesis","Journal of the American Chemical Society","2011","133","","5843","5852","10.1021/ja108865w","","","1.54178","CuKα","","0.1807","0.157","","","0.3872","0.3997","","","","","","1.421","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105930","12.4427","0.0006","9.9312","0.0005","7.3694","0.0004","90","","93.499","0.003","90","","908.95","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 N O2 S2 -","- C10 H5 N O2 S2 -","- C40 H20 N4 O8 S8 -","4","1","","Richard S. Grainger; Bhaven Patel; Benson M. Kariuki; Louise Male; Neil Spencer","Sulfur Monoxide Transfer from peri-Substituted Trisulfide-2-oxides to Dienes: Substituent Effects, Mechanistic Studies and Application in Thiophene Synthesis","Journal of the American Chemical Society","2011","133","","5843","5852","10.1021/ja108865w","","","1.54178","CuKα","","0.0422","0.0325","","","0.085","0.0913","","","","","","1.064","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105931","4.0018","0.0003","12.8838","0.0009","18.0222","0.0014","90","","94.511","0.005","90","","926.32","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 N O2 S2 -","- C10 H5 N O2 S2 -","- C40 H20 N4 O8 S8 -","4","1","","Richard S. Grainger; Bhaven Patel; Benson M. Kariuki; Louise Male; Neil Spencer","Sulfur Monoxide Transfer from peri-Substituted Trisulfide-2-oxides to Dienes: Substituent Effects, Mechanistic Studies and Application in Thiophene Synthesis","Journal of the American Chemical Society","2011","133","","5843","5852","10.1021/ja108865w","","","1.54178","CuKα","","0.0482","0.0378","","","0.0963","0.1028","","","","","","1.041","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105932","7.3022","0.0002","7.6899","0.0002","21.1997","0.0007","84.205","0.001","89.146","0.002","85.231","0.002","1180.22","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Br2 O2 -","- C12 H10 Br2 O2 -","- C48 H40 Br8 O8 -","4","2","","Richard S. Grainger; Bhaven Patel; Benson M. Kariuki; Louise Male; Neil Spencer","Sulfur Monoxide Transfer from peri-Substituted Trisulfide-2-oxides to Dienes: Substituent Effects, Mechanistic Studies and Application in Thiophene Synthesis","Journal of the American Chemical Society","2011","133","","5843","5852","10.1021/ja108865w","","","0.71073","MoKα","","0.0645","0.0594","","","0.165","0.1733","","","","","","1.159","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105933","17.339","0.006","14.752","0.006","18.507","0.007","90","","90","","90","","4734","3","85","1","85","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Br4 N6 S0 Zn2 -","- C18 H12 Br4 N6 Zn2 -","- C144 H96 Br32 N48 Zn16 -","8","1","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","","","0.71073","MoKα","","0.034","0.022","","","0.0454","0.0483","","","","","","1.025","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105934","11.759","0.004","9.403","0.003","19.364","0.007","90","","100.515","0.004","90","","2105.1","1.2","85","1","85","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cl4 N6 Zn2 -","- C18 H12 Cl4 N6 Zn2 -","- C72 H48 Cl16 N24 Zn8 -","4","1","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","","","0.71073","MoKα","","0.0922","0.0445","","","0.0716","0.0847","","","","","","0.985","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105935","49.62","0.0001","50.589","0.0006","6.059","0.0006","90","","90","","90","","15209.5","1.5","90","1","90","1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C72 H54 Cl6 N18 O12 Zn3 -","- C72 H54 Cl6 N18 O12 Zn3 -","- C576 H432 Cl48 N144 O96 Zn24 -","8","0.5","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","","","0.88559","synchrotron","","0.0854","0.0792","","","0.2073","0.2152","","","","","","1.037","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105936","23.089","0.002","22.702","0.002","15.646","0.001","90","","90","","90","","8201.1","1.1","","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 Br6 N12 O Zn3 -","- C36 Br6 N12 Zn3 -","- C288 Br48 N96 Zn24 -","8","1","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","powder diffraction","","1.3","Synchrotron","","","0.0399","","","0.0539","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105937","12.5882","0.0009","29.285","0.002","6.5904","0.0004","90","","92.885","0.002","90","","2426.4","0.3","","","83","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 I7.58 N12 Zn3 -","- C36 I7.228 N12 Zn3 -","- C72 I14.456 N24 Zn6 -","2","1","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","powder diffraction","","0.9948","Synchrotron","","","0.0298","","","0.0399","","","","","","","","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105938","12.719","0.0005","29.6449","0.0011","6.51966","0.00023","90","","93.066","0.002","90","","2454.74","0.16","","","95","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 I6 N12 Zn3 -","- C36 I6 N12 Zn3 -","- C72 I12 N24 Zn6 -","2","1","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","powder diffraction","","1","Synchrotron","","","0.0268","","","0.0354","","","","","","","","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105939","10.4199","0.0001","15.8525","0.0002","16.8803","0.0002","115.978","0.001","95.206","0.001","96.271","0.001","2461.44","0.05","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","Chisholm 1772","","","- C94 H84 B2 F30 N2 O10 W2 -","- C94 H84 B2 F30 N2 O10 W2 -","- C94 H84 B2 F30 N2 O10 W2 -","1","0.5","","Philip Bunting; Malcolm H. Chisholm; Judith C. Gallucci; Benjamin J. Lear","Extent of M2δ to Ligand π-Conjugation in Neutral and Mixed Valence States of Bis(4-isonicotinate)-bis(2,4,6-triisopropylbenzoate) Dimetal Complexes (MM), Where M = Mo or W, and Their Adducts with Tris(pentafluorophenyl)boron","Journal of the American Chemical Society","2011","133","","5873","5881","10.1021/ja109522b","","x-ray","0.71073","MoKα","","0.0323","0.0261","","","0.0639","0.0658","","","","","","1.077","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105940","10.4023","0.0001","15.7963","0.0001","16.9541","0.0001","115.641","0.001","94.922","0.001","96.875","0.001","2463.82","0.04","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","Chisholm 1774","","","- C94 H84 B2 F30 Mo2 N2 O10 -","- C94 H84 B2 F30 Mo2 N2 O10 -","- C94 H84 B2 F30 Mo2 N2 O10 -","1","0.5","","Philip Bunting; Malcolm H. Chisholm; Judith C. Gallucci; Benjamin J. Lear","Extent of M2δ to Ligand π-Conjugation in Neutral and Mixed Valence States of Bis(4-isonicotinate)-bis(2,4,6-triisopropylbenzoate) Dimetal Complexes (MM), Where M = Mo or W, and Their Adducts with Tris(pentafluorophenyl)boron","Journal of the American Chemical Society","2011","133","","5873","5881","10.1021/ja109522b","","x-ray","0.71073","MoKα","","0.0381","0.0316","","","0.0835","0.0865","","","","","","1.048","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105941","17.212","0.0007","21.4165","0.0009","17.7094","0.0007","90","","99.615","0.001","90","","6436.3","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H80 B2 F8 N4 Ni O2 P4 -","- C68 H80 B2 F8 N4 Ni O2 P4 -","- C272 H320 B8 F32 N16 Ni4 O8 P16 -","4","1","","Uriah J. Kilgore; John A. S. Roberts; Douglas H. Pool; Aaron M. Appel; Michael P. Stewart; M. Rakowski DuBois; William G. Dougherty; W. Scott Kassel; R. Morris Bullock; Daniel L. DuBois","[Ni(PPh2NC6H4X2)2]2+ Complexes as Electrocatalysts for H2 Production: Effect of Substituents, Acids, and Water on Catalytic Rates","Journal of the American Chemical Society","2011","133","","5861","5872","10.1021/ja109755f","","","0.71073","MoKα","","0.0777","0.0458","","","0.1008","0.1138","","","","","","1.023","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105942","22.5412","0.0012","13.4356","0.0008","22.365","0.0012","90","","118.716","0.003","90","","5940.3","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H67 B2 F8 N5 Ni O4 P4 -","- C62 H67 B2 F8 N5 Ni O4 P4 -","- C248 H268 B8 F32 N20 Ni4 O16 P16 -","4","1","","Uriah J. Kilgore; John A. S. Roberts; Douglas H. Pool; Aaron M. Appel; Michael P. Stewart; M. Rakowski DuBois; William G. Dougherty; W. Scott Kassel; R. Morris Bullock; Daniel L. DuBois","[Ni(PPh2NC6H4X2)2]2+ Complexes as Electrocatalysts for H2 Production: Effect of Substituents, Acids, and Water on Catalytic Rates","Journal of the American Chemical Society","2011","133","","5861","5872","10.1021/ja109755f","","","0.71073","MoKα","","0.2907","0.0828","","","0.1209","0.178","","","","","","0.897","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105943","9.8295","0.0011","13.9276","0.0016","24.821","0.003","101.216","0.006","91.136","0.007","105.998","0.007","3194.3","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H48 Si8 Sn -","- C16 H48 Si8 Sn -","- C64 H192 Si32 Sn4 -","4","2","","Henning Arp; Judith Baumgartner; Christoph Marschner; Thomas Müller","A Cyclic Disilylated Stannylene: Synthesis, Dimerization, and Adduct Formation","Journal of the American Chemical Society","2011","133","","5632","5635","10.1021/ja1100883","","","0.71073","MoKα","","0.1643","0.1184","","","0.2867","0.3048","","","","","","1.061","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105944","12.615","0.003","25.832","0.005","24.001","0.005","90","","94.39","0.03","90","","7798","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H106 K N O6 Si10 Sn -","- C48 H106 K N O6 Si10 Sn -","- C192 H424 K4 N4 O24 Si40 Sn4 -","4","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Thomas Müller","A Cyclic Disilylated Stannylene: Synthesis, Dimerization, and Adduct Formation","Journal of the American Chemical Society","2011","133","","5632","5635","10.1021/ja1100883","","","0.71073","MoKα","","0.2316","0.1566","","","0.3458","0.3889","","","","","","1.065","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105945","9.6511","0.0019","21.418","0.004","19.324","0.004","90","","103.84","0.03","90","","3878.4","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H63 P Si8 Sn -","- C22 H63 P Si8 Sn -","- C88 H252 P4 Si32 Sn4 -","4","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Thomas Müller","A Cyclic Disilylated Stannylene: Synthesis, Dimerization, and Adduct Formation","Journal of the American Chemical Society","2011","133","","5632","5635","10.1021/ja1100883","","","0.71073","MoKα","","0.124","0.1041","","","0.2573","0.2662","","","","","","1.179","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105946","21.316","0.004","25.165","0.005","19.732","0.004","90","","90","","90","","10585","4","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H48 B F15 Si8 Sn -","- C34 H48 B F15 Si8 Sn -","- C272 H384 B8 F120 Si64 Sn8 -","8","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Thomas Müller","A Cyclic Disilylated Stannylene: Synthesis, Dimerization, and Adduct Formation","Journal of the American Chemical Society","2011","133","","5632","5635","10.1021/ja1100883","","","0.71073","MoKα","","0.0947","0.0656","","","0.1124","0.1211","","","","","","1","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105947","10.5379","0.0004","8.3576","0.0003","13.139","0.0005","90","","109.878","0.004","90","","1088.23","0.08","294","2","294","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H19 Cl N2 O5 S -","- C22 H19 Cl N2 O5 S -","- C44 H38 Cl2 N4 O10 S2 -","2","1","","Yunfei Cai; Xiaohua Liu; Jun Jiang; Weiliang Chen; Lili Lin; Xiaoming Feng","Catalytic Asymmetric Chloroamination Reaction of α,β-Unsaturated γ-Keto Esters and Chalcones","Journal of the American Chemical Society","2011","133","","5636","5639","10.1021/ja110668c","","","0.7107","MoKα","","0.0492","0.0346","","","0.0744","0.0777","","","","","","0.936","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105948","12.1442","0.0008","12.6611","0.0009","25.0582","0.0017","90.556","0.001","102.357","0.001","116.994","0.001","3328.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H34 B N7 Ni S2 -","- C33 H34 B N7 Ni S2 -","- C132 H136 B4 N28 Ni4 S8 -","4","2","","Huaibo Ma; Jeffrey L. Petersen; Victor G. Young; Gordon T. Yee; Michael P. Jensen","Solid-State Spin Crossover of Ni(II) in a Bioinspired N3S2 Ligand Field","Journal of the American Chemical Society","2011","133","","5644","5647","10.1021/ja110890v","","","0.71073","MoKα","","0.0632","0.05","","","0.1373","0.1496","","","","","","1.029","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105949","12.004","0.0012","12.5359","0.0012","24.678","0.002","91.034","0.001","101.353","0.001","116.788","0.001","3225.9","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","mj23ccd","","","- C33 H34 B N7 Ni S2 -","- C33 H34 B N7 Ni S2 -","- C132 H136 B4 N28 Ni4 S8 -","4","2","","Huaibo Ma; Jeffrey L. Petersen; Victor G. Young; Gordon T. Yee; Michael P. Jensen","Solid-State Spin Crossover of Ni(II) in a Bioinspired N3S2 Ligand Field","Journal of the American Chemical Society","2011","133","","5644","5647","10.1021/ja110890v","","","0.71073","MoKα","","0.0525","0.0373","","","0.0849","0.0934","","","","","","1.04","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105950","8.4958","0.0016","23.176","0.004","13.392","0.002","90","","90.987","0.004","90","","2636.5","0.8","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 O15 -","- C31 H28 O11 -","- C124 H112 O44 -","4","1","","Ying L. Zhang; Jie Zhang; Nan Jiang; Yan H. Lu; Lu Wang; Su H. Xu; Wei Wang; Gao F. Zhang; Qiang Xu; Hui M. Ge; Jing Ma; Yong C. Song; Ren X. Tan","Immunosuppressive Polyketides from Mantis-Associated Daldinia eschscholzii","Journal of the American Chemical Society","2011","133","","5931","5940","10.1021/ja110932p","","","0.71073","MoKα","","0.1389","0.0529","","","0.0766","0.0928","","","","","","0.808","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105951","7.706","0.0015","9.397","0.0019","12.156","0.002","80.64","0.03","78.7","0.03","71.62","0.03","814.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 O7 -","- C20 H16 O7 -","- C40 H32 O14 -","2","1","","Ying L. Zhang; Jie Zhang; Nan Jiang; Yan H. Lu; Lu Wang; Su H. Xu; Wei Wang; Gao F. Zhang; Qiang Xu; Hui M. Ge; Jing Ma; Yong C. Song; Ren X. Tan","Immunosuppressive Polyketides from Mantis-Associated Daldinia eschscholzii","Journal of the American Chemical Society","2011","133","","5931","5940","10.1021/ja110932p","","","0.71073","MoKα","","0.0691","0.0511","","","0.1517","0.1688","","","","","","1.008","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105952","4.9131","0.0011","8.5738","0.0019","24.007","0.005","90","","90","","90","","1011.3","0.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O5 -","- C12 H12 O5 -","- C48 H48 O20 -","4","1","","Ying L. Zhang; Jie Zhang; Nan Jiang; Yan H. Lu; Lu Wang; Su H. Xu; Wei Wang; Gao F. Zhang; Qiang Xu; Hui M. Ge; Jing Ma; Yong C. Song; Ren X. Tan","Immunosuppressive Polyketides from Mantis-Associated Daldinia eschscholzii","Journal of the American Chemical Society","2011","133","","5931","5940","10.1021/ja110932p","","","0.71073","MoKα","","0.0502","0.0471","","","0.1205","0.1229","","","","","","1.096","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105953","8.562","0.0017","12.833","0.003","22.116","0.004","90","","90","","90","","2430","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 N O3 -","- C28 H35 N O3 -","- C112 H140 N4 O12 -","4","1","","Ying L. Zhang; Jie Zhang; Nan Jiang; Yan H. Lu; Lu Wang; Su H. Xu; Wei Wang; Gao F. Zhang; Qiang Xu; Hui M. Ge; Jing Ma; Yong C. Song; Ren X. Tan","Immunosuppressive Polyketides from Mantis-Associated Daldinia eschscholzii","Journal of the American Chemical Society","2011","133","","5931","5940","10.1021/ja110932p","","","0.71073","MoKα","","0.0934","0.0592","","","0.1392","0.1607","","","","","","1.013","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105954","7.4805","0.0002","24.5401","0.0007","12.4338","0.0003","90","","97.302","0.002","90","","2263.99","0.1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 O8 -","- C30 H20 O8 -","- C120 H80 O32 -","4","1","","Ying L. Zhang; Jie Zhang; Nan Jiang; Yan H. Lu; Lu Wang; Su H. Xu; Wei Wang; Gao F. Zhang; Qiang Xu; Hui M. Ge; Jing Ma; Yong C. Song; Ren X. Tan","Immunosuppressive Polyketides from Mantis-Associated Daldinia eschscholzii","Journal of the American Chemical Society","2011","133","","5931","5940","10.1021/ja110932p","","","0.71073","MoKα","","","0.0612","","","0.153","0.1859","","","","","","1.019","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105955","16.5843","0.0006","16.599","0.0008","22.2252","0.0012","90","","90","","90","","6118.2","0.5","100","2","100","2","","","","","","","","7","P m m m","-P 2 2","47","","","","- C192 H278 Al F10 N44 O42 Zn3 -","- C90 H40 Al F10 N10 O10 Zn3 -","- C90 H40 Al F10 N10 O10 Zn3 -","1","0.125","","Omar K. Farha; Abraham M. Shultz; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp","Active-Site-Accessible, Porphyrinic Metal-Organic Framework Materials","Journal of the American Chemical Society","2011","133","","5652","5655","10.1021/ja111042f","","","1.54178","CuKα","","0.091","0.0713","","","0.18","0.1898","","","","","","0.942","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105956","16.614","0.003","16.64","0.003","22.194","0.005","90","","90","","90","","6136","2","100","2","100","2","","","","","","","","8","P m m m","-P 2 2","47","","","","- C198 H292 Cl F10 Fe N46 O54 Zn3 -","- C90 H40 Cl F10 Fe N10 O8 Zn3 -","- C90 H40 Cl F10 Fe N10 O8 Zn3 -","1","0.125","","Omar K. Farha; Abraham M. Shultz; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp","Active-Site-Accessible, Porphyrinic Metal-Organic Framework Materials","Journal of the American Chemical Society","2011","133","","5652","5655","10.1021/ja111042f","","","1.54178","CuKα","","0.1321","0.0856","","","0.2066","0.2249","","","","","","0.852","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105957","16.5671","0.0005","16.5864","0.0005","22.1775","0.001","90","","90","","90","","6094.1","0.4","100","2","100","2","","","","","","","","8","P m m m","-P 2 2","47","","","","- C183 H249 F10 Mn N41 O39 Pd Zn2 -","- C90 H32 F10 Mn N10 O8 Pd Zn2 -","- C90 H32 F10 Mn N10 O8 Pd Zn2 -","1","0.125","","Omar K. Farha; Abraham M. Shultz; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp","Active-Site-Accessible, Porphyrinic Metal-Organic Framework Materials","Journal of the American Chemical Society","2011","133","","5652","5655","10.1021/ja111042f","","","1.54178","CuKα","","0.0865","0.0622","","","0.1554","0.1647","","","","","","0.912","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105958","16.6121","0.001","16.6202","0.0009","22.1631","0.0019","90","","90","","90","","6119.2","0.7","100","2","100","2","","","","","","","","7","P m m m","-P 2 2","47","","","","- C186 H264 F10 Mn N42 O41 Zn3 -","- C90 H40 F10 Mn N10 O9 Zn3 -","- C90 H40 F10 Mn N10 O9 Zn3 -","1","0.125","","Omar K. Farha; Abraham M. Shultz; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp","Active-Site-Accessible, Porphyrinic Metal-Organic Framework Materials","Journal of the American Chemical Society","2011","133","","5652","5655","10.1021/ja111042f","","","1.54178","CuKα","","0.1077","0.0806","","","0.196","0.21","","","","","","0.919","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105959","16.598","0.002","16.643","0.002","22.494","0.003","90","","90","","90","","6213.8","1.3","100","2","100","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- C174 H236 F10 N38 O37 Zn4 -","- C90 H40 F10 N10 O9 Zn4 -","- C90 H40 F10 N10 O9 Zn4 -","1","0.125","","Omar K. Farha; Abraham M. Shultz; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp","Active-Site-Accessible, Porphyrinic Metal-Organic Framework Materials","Journal of the American Chemical Society","2011","133","","5652","5655","10.1021/ja111042f","","","1.54178","CuKα","","0.1504","0.1218","","","0.3041","0.3289","","","","","","1.182","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105960","5.0852","0.0006","5.5751","0.0007","17.793","0.003","96.981","0.006","93.8853","0.0015","99.0089","0.0014","492.58","0.12","293","","293","","","","","","","","","5","P 1","P 1","1","","","","- C20 H24 Br N O3 -","- C20 H24 Br N O3 -","- C20 H24 Br N O3 -","1","1","","Tomonori Misaki; Kei Kawano; Takashi Sugimura","Highly Z-Selective Asymmetric 1,4-Addition Reaction of 5H-Oxazol-4-ones with Alkynyl Carbonyl Compounds Catalyzed by Chiral Guanidines","Journal of the American Chemical Society","2011","133","","5695","5697","10.1021/ja200283n","","","0.71069","MoKα","","","0.0603","","","","0.0589","","","","","","1.11","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105961","16.23481","0.00016","16.23481","0.00016","4.083","0.00005","90","","90","","90","","1076.15","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.13003","","1.52","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105962","16.1602","0.0002","16.1602","0.0002","4.01327","0.00006","90","","90","","90","","1048.07","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.09795","","1.7","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105963","16.03132","0.0002","16.03132","","3.89682","0.00007","90","","90","","90","","1001.5","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.10651","","1.68","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105964","15.93675","0.00016","15.93675","","3.81437","0.00005","90","","90","","90","","968.774","0.016","293","2","293","3","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.10626","","1.39","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105965","15.86977","0.00016","15.86977","0.00016","3.74821","0.00005","90","","90","","90","","943.985","0.018","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.06544","","1.29","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105966","15.81103","0.00017","15.81103","0.00017","3.69185","0.00006","90","","90","","90","","922.92","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.08272","","1.45","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105967","15.76088","0.00015","15.76088","0.00015","3.6336","0.00006","90","","90","","90","","902.606","0.019","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.1409","","1.34","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105968","15.67329","0.00019","15.67329","0.00019","3.52999","0.00006","90","","90","","90","","867.15","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.22912","","1.47","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105969","15.63466","0.00014","15.63466","0.00014","3.48795","0.00006","90","","90","","90","","852.604","0.018","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","","","","","","","","","0.27224","","1.27","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105970","15.96595","0.00027","15.96595","0.00027","3.85717","0.00008","90","","90","","90","","983.24","0.03","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.12483","","5.44","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105971","15.7209","0.00024","15.7209","0.0024","3.5586","0.00007","90","","90","","90","","879.5","0.14","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.06112","","5.04","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105972","15.63059","0.00027","15.63059","0.00027","3.57744","0.00008","90","","90","","90","","874.02","0.03","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.11333","","5.85","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105973","15.61515","0.00021","15.61515","0.00021","3.50758","0.00006","90","","90","","90","","855.26","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","1.98048","","3.88","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105974","16.3109","0.0014","16.3109","0.0014","4.1753","0.0007","90","","90","","90","","1110.8","0.2","296","2","296","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","","","0.71073","MoKα","","0.0463","0.0307","","","0.0504","0.0542","","","","","","1.103","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105975","14.6229","0.0012","14.6619","0.0012","25.248","0.002","90","","91.043","0.002","90","","5412.3","0.8","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[PPh4][VO(OMe)(PS3"")]","","","- C52 H59 O2 P2 S3 Si3 V -","- C52 H59 O2 P2 S3 Si3 V -","- C208 H236 O8 P8 S12 Si12 V4 -","4","1","","Ya-Ho Chang; Chia-Ling Su; Ru-Rong Wu; Ju-Hsiou Liao; Yi-Hung Liu; Hua-Fen Hsu","An Eight-Coordinate Vanadium Thiolate Complex with Charge Delocalization between V(V)-Thiolate and V(IV)-Thiyl Radical Forms","Journal of the American Chemical Society","2011","133","","5708","5711","10.1021/ja2004208","","","0.71073","MoKα","","0.0901","0.0469","","","0.1005","0.1178","","","","","","0.976","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105976","25.0966","0.0004","24.0932","0.0004","25.0397","0.0003","90","","101.965","0.001","90","","14811.5","0.4","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[NEt4][V(PS3"")2]","","","- C62 H92 N P2 S6 Si6 V -","- C62 H92 N P2 S6 Si6 V -","- C496 H736 N8 P16 S48 Si48 V8 -","8","2","","Ya-Ho Chang; Chia-Ling Su; Ru-Rong Wu; Ju-Hsiou Liao; Yi-Hung Liu; Hua-Fen Hsu","An Eight-Coordinate Vanadium Thiolate Complex with Charge Delocalization between V(V)-Thiolate and V(IV)-Thiyl Radical Forms","Journal of the American Chemical Society","2011","133","","5708","5711","10.1021/ja2004208","","","0.71073","MoKα","","0.1248","0.055","","","0.12","0.1517","","","","","","1.036","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105977","12.504","0.002","21.79","0.004","18.052","0.003","90","","106.302","0.002","90","","4720.7","1.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Cp'TmMe2]3","","","- C42 H81 Si3 Tm3 -","- C42 H81 Si3 Tm3 -","- C168 H324 Si12 Tm12 -","4","1","","Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou","Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of ""(C5Me4SiMe3)LnCH2"" Units (Ln = Tm, Lu)","Journal of the American Chemical Society","2011","133","","5712","5715","10.1021/ja200540b","","","0.71073","MoKα","","0.0605","0.0341","","","0.0617","0.0667","","","","","","0.807","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105978","9.1108","0.0007","18.1931","0.0014","29.074","0.002","90","","90","","90","","4819.1","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[Cp'LuMe2]3","","","- C42 H81 Lu3 Si3 -","- C42 H81 Lu3 Si3 -","- C168 H324 Lu12 Si12 -","4","1","","Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou","Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of ""(C5Me4SiMe3)LnCH2"" Units (Ln = Tm, Lu)","Journal of the American Chemical Society","2011","133","","5712","5715","10.1021/ja200540b","","","0.71073","MoKα","","0.0266","0.0242","","","0.0489","0.0495","","","","","","0.971","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105979","15.0165","0.0018","14.5158","0.0018","22.019","0.003","90","","92.711","0.002","90","","4794.3","1.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Cp'3Tm3CH2Me4]","","","- C41 H77 Si3 Tm3 -","- C41 H77 Si3 Tm3 -","- C164 H308 Si12 Tm12 -","4","1","","Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou","Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of ""(C5Me4SiMe3)LnCH2"" Units (Ln = Tm, Lu)","Journal of the American Chemical Society","2011","133","","5712","5715","10.1021/ja200540b","","","0.71073","MoKα","","0.0549","0.0286","","","0.0507","0.0558","","","","","","0.874","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105980","12.3134","0.0014","23.365","0.003","13.4173","0.0016","90","","115.752","0.001","90","","3476.8","0.7","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C64 H104 Si4 Tm4 -","- C64 H104 Si4 Tm4 -","- C128 H208 Si8 Tm8 -","2","0.5","","Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou","Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of ""(C5Me4SiMe3)LnCH2"" Units (Ln = Tm, Lu)","Journal of the American Chemical Society","2011","133","","5712","5715","10.1021/ja200540b","","","0.71073","MoKα","","0.0406","0.0295","","","0.0623","0.065","","","","","","0.997","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105981","12.3484","0.0013","23.487","0.003","13.463","0.0014","90","","115.768","0.002","90","","3516.4","0.7","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C64 H104 Lu4 Si4 -","- C64 H104 Lu4 Si4 -","- C128 H208 Lu8 Si8 -","2","0.5","","Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou","Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of ""(C5Me4SiMe3)LnCH2"" Units (Ln = Tm, Lu)","Journal of the American Chemical Society","2011","133","","5712","5715","10.1021/ja200540b","","","0.71073","MoKα","","0.0791","0.0639","","","0.1498","0.1561","","","","","","1.175","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105982","21.091","0.003","13.0175","0.0017","19.404","0.003","90","","91.046","0.002","90","","5326.5","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H83 O Si3 Tm3 -","- C53 H83 O Si3 Tm3 -","- C212 H332 O4 Si12 Tm12 -","4","1","","Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou","Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of ""(C5Me4SiMe3)LnCH2"" Units (Ln = Tm, Lu)","Journal of the American Chemical Society","2011","133","","5712","5715","10.1021/ja200540b","","","0.71073","MoKα","","0.0439","0.034","","","0.0722","0.0756","","","","","","0.985","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105983","13.4946","0.0018","13.4946","0.0018","14.912","0.002","90","","90","","120","","2351.7","0.5","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 La2 N6 O33 -","- C24 H30 Cu3 La2 N6 O33 -","- C48 H60 Cu6 La4 N12 O66 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0404","","","","0.1331","","","","","","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105984","13.4567","0.0016","13.4567","0.0016","14.6982","0.0019","90","","90","","120","","2305","0.5","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 N6 Nd2 O33 -","- C24 H30 Cu3 N6 Nd2 O33 -","- C48 H60 Cu6 N12 Nd4 O66 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0375","","","","0.1122","","","","","","1.163","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105985","13.4105","0.0013","13.4105","0.0013","14.5808","0.0015","90","","90","","120","","2270.9","0.4","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 N6 O33 Sm2 -","- C24 H30 Cu3 N6 O33 Sm2 -","- C48 H60 Cu6 N12 O66 Sm4 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0356","","","","0.1152","","","","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105986","13.4147","0.001","13.4147","0.001","14.4622","0.0012","90","","90","","120","","2253.9","0.3","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 Gd2 N6 O33 -","- C24 H30 Cu3 Gd2 N6 O33 -","- C48 H60 Cu6 Gd4 N12 O66 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0371","","","","0.0826","","","","","","1.208","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105987","13.388","0.002","13.388","0.002","14.306","0.002","90","","90","","120","","2220.7","0.6","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 Ho2 N6 O33 -","- C24 H30 Cu3 Ho2 N6 O33 -","- C48 H60 Cu6 Ho4 N12 O66 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0383","","","","0.0956","","","","","","1.189","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105988","13.3473","0.0008","13.3473","0.0008","14.2599","0.0008","90","","90","","120","","2200.1","0.2","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 Er2 N6 O33 -","- C24 H30 Cu3 Er2 N6 O33 -","- C48 H60 Cu6 Er4 N12 O66 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0241","","","","0.0723","","","","","","1.185","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105989","13.374","0.0006","13.374","0.0006","14.9482","0.0008","90","","90","","120","","2315.49","0.19","113.1","","113","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H30 Cu3 La2 N6 O24 -","- C24 H30 Cu3 La2 N6 O24 -","- C48 H60 Cu6 La4 N12 O48 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0294","","","","0.0826","","","","","","1.135","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105990","8.6793","0.0005","10.6231","0.0006","15.093","0.0009","90","","90","","90","","1391.59","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 B N O P -","- C13 H21 B N O P -","- C52 H84 B4 N4 O4 P4 -","4","1","","Thierry León; Antoni Riera; Xavier Verdaguer","Stereoselective Synthesis of P-Stereogenic Aminophosphines: Ring Opening of Bulky Oxazaphospholidines","Journal of the American Chemical Society","2011","133","","5740","5743","10.1021/ja200988c","","","0.71073","MoKα","","0.0376","0.0332","","","0.0892","0.0918","","","","","","1.073","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4105991","12.7622","0.0004","12.7622","0.0004","33.2409","0.001","90","","90","","120","","4688.7","0.3","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C14 H25 B N O P -","- C14 H25 B N O P -","- C168 H300 B12 N12 O12 P12 -","12","2","","Thierry León; Antoni Riera; Xavier Verdaguer","Stereoselective Synthesis of P-Stereogenic Aminophosphines: Ring Opening of Bulky Oxazaphospholidines","Journal of the American Chemical Society","2011","133","","5740","5743","10.1021/ja200988c","","","0.71073","MoKα","","0.0564","0.0455","","","0.1077","0.114","","","","","","1.041","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4105992","9.8349","0.0006","13.008","0.0008","14.6147","0.0011","90","","90","","90","","1869.7","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 B N O P -","- C19 H27 B N O P -","- C76 H108 B4 N4 O4 P4 -","4","1","","Thierry León; Antoni Riera; Xavier Verdaguer","Stereoselective Synthesis of P-Stereogenic Aminophosphines: Ring Opening of Bulky Oxazaphospholidines","Journal of the American Chemical Society","2011","133","","5740","5743","10.1021/ja200988c","","","0.71073","MoKα","","0.0424","0.0372","","","0.0945","0.0979","","","","","","1.107","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4105993","7.5821","0.0007","10.1241","0.0009","23.702","0.002","90","","90","","90","","1819.4","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H24 B10 O -","- C12 H24 B10 O -","- C48 H96 B40 O4 -","4","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Regioselective Insertion of Carborynes into Ethereal C-H Bond: Facile Synthesis of α-Carboranylated Ethers","Journal of the American Chemical Society","2011","133","","5760","5763","10.1021/ja201126h","","","0.71073","MoKα","","0.0769","0.0527","","","0.1332","0.1507","","","","","","1.057","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105994","7.1977","0.0004","9.1857","0.0005","22.8755","0.0012","90","","90","","90","","1512.43","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H19 B10 I O -","- C6 H19 B10 I O -","- C24 H76 B40 I4 O4 -","4","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Regioselective Insertion of Carborynes into Ethereal C-H Bond: Facile Synthesis of α-Carboranylated Ethers","Journal of the American Chemical Society","2011","133","","5760","5763","10.1021/ja201126h","","","0.71073","MoKα","","0.0173","0.0171","","","0.0452","0.0453","","","","","","1.141","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105995","28.0596","0.0019","7.3777","0.0005","17.1759","0.0012","90","","112.127","0.001","90","","3293.8","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 B10 O2 -","- C10 H24 B10 O2 -","- C80 H192 B80 O16 -","8","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Regioselective Insertion of Carborynes into Ethereal C-H Bond: Facile Synthesis of α-Carboranylated Ethers","Journal of the American Chemical Society","2011","133","","5760","5763","10.1021/ja201126h","","","0.71073","MoKα","","0.13","0.0775","","","0.2117","0.2584","","","","","","1.053","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105996","5.8949","0.0001","12.0754","0.0002","22.2647","0.0004","90","","90","","90","","1584.87","0.05","180","2","180","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","RajanBabu 1584","","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","1","","Daniel J. Mans; G. Adam Cox; T. V. RajanBabu","Ethylene in Organic Synthesis. Repetitive Hydrovinylation of Alkenes for Highly Enantioselective Syntheses of Pseudopterosins","Journal of the American Chemical Society","2011","133","","5776","5779","10.1021/ja201321v","","x-ray","0.71073","MoKα","","0.0497","0.0376","","","0.0915","0.0982","","","","","","1.028","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105997","10.889","0.001","11.824","0.002","12.4298","0.0013","100.506","0.006","113.485","0.004","107.899","0.006","1308.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H84 Li4 N6 O2 Ti2 -","- C52 H84 Li4 N6 O2 Ti2 -","- C52 H84 Li4 N6 O2 Ti2 -","1","0.5","","Holger Braunschweig; Marco Fuss; Thomas Kupfer; Krzysztof Radacki","Selective Dilithiation of [Ti(η5-C5H5)(η8-C8H8)] and Subsequent Conversion into Neutral and Cationic ansa-Complexes","Journal of the American Chemical Society","2011","133","","5780","5783","10.1021/ja2014218","","","0.71073","MoKα","","0.0449","0.036","","","0.0863","0.0913","","","","","","1.029","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105998","18.371","0.0013","10.5472","0.0007","32.222","0.002","90","","100.328","0.003","90","","6142.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C61 H101 Sn4 Ti2 -","- C61 H101 Sn4 Ti2 -","- C244 H404 Sn16 Ti8 -","4","1","","Holger Braunschweig; Marco Fuss; Thomas Kupfer; Krzysztof Radacki","Selective Dilithiation of [Ti(η5-C5H5)(η8-C8H8)] and Subsequent Conversion into Neutral and Cationic ansa-Complexes","Journal of the American Chemical Society","2011","133","","5780","5783","10.1021/ja2014218","","","0.71073","MoKα","","0.0266","0.023","","","0.0531","0.0546","","","","","","1.073","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105999","14.1403","0.0014","15.4363","0.0015","18.3855","0.0019","107.964","0.004","107.45","0.004","91.856","0.004","3607.1","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H49 Cl2 F6 P Sn2 Ti -","- C30 H49 Cl2 F6 P Sn2 Ti -","- C120 H196 Cl8 F24 P4 Sn8 Ti4 -","4","2","","Holger Braunschweig; Marco Fuss; Thomas Kupfer; Krzysztof Radacki","Selective Dilithiation of [Ti(η5-C5H5)(η8-C8H8)] and Subsequent Conversion into Neutral and Cationic ansa-Complexes","Journal of the American Chemical Society","2011","133","","5780","5783","10.1021/ja2014218","","","0.71073","MoKα","","0.0213","0.0189","","","0.0475","0.0494","","","","","","1.049","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4106000","14.9622","0.0017","11.727","0.0013","15.0608","0.0017","90","","109.114","0.001","90","","2496.9","0.5","120","0.1","120","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,6-Bis[Bis(di-tert-butylmethylsilyl)silylene]cyclohexa-1,4-diene","","- C42 H88 Si6 -","- C42 H88 Si6 -","- C84 H176 Si12 -","2","0.5","","Takeshi Nozawa; Michiyo Nagata; Masaaki Ichinohe; Akira Sekiguchi","Isolable p- and m-[(tBu2MeSi)2Si]2C6H4: Disilaquinodimethane vs Triplet Bis(silyl radical)","Journal of the American Chemical Society","2011","133","","5773","5775","10.1021/ja2014746","","","0.71073","MoKα","","0.0449","0.042","","","0.1131","0.116","","","","","","1.049","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106001","26.201","0.0011","12.156","0.0006","15.404","0.002","90","","90","","90","","4906.2","0.7","150","0.1","150","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","1,3-Bis[2,2-di-tert-butyl-1-(di-tert-butylmethylsilyl)- 2-methyldisilanyl]benzene-1',1''-diyl","","- C42 H88 Si6 -","- C42 H88 Si6 -","- C168 H352 Si24 -","4","0.5","","Takeshi Nozawa; Michiyo Nagata; Masaaki Ichinohe; Akira Sekiguchi","Isolable p- and m-[(tBu2MeSi)2Si]2C6H4: Disilaquinodimethane vs Triplet Bis(silyl radical)","Journal of the American Chemical Society","2011","133","","5773","5775","10.1021/ja2014746","","","0.7107","MoKα","","0.1035","0.0621","","","0.1492","0.1685","","","","","","1.034","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106002","7.12514","0.00013","8.22811","0.00015","30.7815","0.0006","90","","90","","90","","1804.61","0.06","118.1","","118.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N3 O9 -","- C16 H19 N3 O9 -","- C64 H76 N12 O36 -","4","1","","Yingjie Xu; Luqing Lin; Motomu Kanai; Shigeki Matsunaga; Masakatsu Shibasaki","Catalytic Asymmetric Ring-Opening of meso-Aziridines with Malonates under Heterodinuclear Rare Earth Metal Schiff Base Catalysis","Journal of the American Chemical Society","2011","133","","5791","5793","10.1021/ja201492x","","","1.54187","CuKα","","","0.0409","","","","0.1293","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106003","7.9092","0.0015","25.245","0.005","9.7786","0.0014","90","","116.117","0.011","90","","1753.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C88 H84 N4 O20 -","4","1","","Vikram Bhat; Kevin M. Allan; Viresh H. Rawal","Total Synthesis of N-Methylwelwitindolinone D Isonitrile","Journal of the American Chemical Society","2011","133","","5798","5801","10.1021/ja201834u","","","0.71073","MoKα","","0.0724","0.0481","","","0.1138","0.1213","","","","","","0.95","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106004","6.6766","0.0004","12.9963","0.0005","12.3595","0.0009","90","","90.087","0.006","90","","1072.45","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 F5 O3 -","- C8 H11 F5 O3 -","- C32 H44 F20 O12 -","4","1","","Changho Han; Eun Hoo Kim; David A. Colby","Cleavage of Carbon-Carbon Bonds through the Mild Release of Trifluoroacetate: Generation of α,α-Difluoroenolates for Aldol Reactions","Journal of the American Chemical Society","2011","133","","5802","5805","10.1021/ja202213f","","","1.54184","CU-Kα","","0.061","0.05","","","0.138","0.158","","","","","","1.168","","","","has coordinates","288189","2023-12-08","15:49:02",""
"4106005","17.1625","0.0019","17.1625","0.0019","17.1625","0.0019","90","","90","","90","","5055.2","1","292","2","292","2","","","","","","","","5","P -4 3 m","P -4 2 3","215","","","","- C72 H72 N6 O22 Zn4 -","- C72 H72 N6 O22 Zn4 -","- C72 H72 N6 O22 Zn4 -","1","0.0416667","","David J. Lun; Geoffrey I. N. Waterhouse; Shane G. Telfer","A General Thermolabile Protecting Group Strategy for Organocatalytic Metal-Organic Frameworks","Journal of the American Chemical Society","2011","133","","5806","5809","10.1021/ja202223d","","","1.54178","CuKα","","0.132","0.1179","","","0.3104","0.348","","","","","","1.346","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106006","17.16","0.003","17.16","0.003","17.16","0.003","90","","90","","90","","5053","1.5","292","2","292","2","","","","","","","","5","P -4 3 m","P -4 2 3","215","","","","- C57 H48 N6 O16 Zn4 -","- C57 H48 N6 O16 Zn4 -","- C57 H48 N6 O16 Zn4 -","1","0.0416667","","David J. Lun; Geoffrey I. N. Waterhouse; Shane G. Telfer","A General Thermolabile Protecting Group Strategy for Organocatalytic Metal-Organic Frameworks","Journal of the American Chemical Society","2011","133","","5806","5809","10.1021/ja202223d","","","1.54178","CuKα","","0.1317","0.1286","","","0.32","0.324","","","","","","1.499","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106007","11.234","0.003","18.92","0.006","12.151","0.004","90","","109.295","0.005","90","","2437.6","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl2 Cu N3 O -","- C24 H23 Cl2 Cu N3 O -","- C96 H92 Cl8 Cu4 N12 O4 -","4","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.0575","0.0312","","","0.0719","0.0774","","","","","","1.002","","","","has coordinates,has disorder","219282","2020-10-21","18:00:00",""
"4106008","8.814","0.002","11.758","0.002","13.14","0.003","99.094","0.004","101.834","0.004","109.287","0.004","1219.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H58 Cl8 Cu2 N6 O2 -","- C38 H58 Cl8 Cu2 N6 O2 -","- C38 H58 Cl8 Cu2 N6 O2 -","1","0.5","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.0702","0.039","","","0.0731","0.0782","","","","","","1.005","","","","has coordinates,has disorder","219282","2020-10-21","18:00:00",""
"4106009","16.047","0.001","10.655","0.001","28.388","0.002","90","","106.313","0.001","90","","4658.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Cl2 Cu N3 O -","- C20 H31 Cl2 Cu N3 O -","- C160 H248 Cl16 Cu8 N24 O8 -","8","2","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.0814","0.046","","","0.1104","0.1268","","","","","","1.016","","","","has coordinates","219282","2020-10-21","18:00:00",""
"4106010","8.082","0.001","12.312","0.001","21.242","0.002","90","","98.477","0.003","90","","2090.6","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Cl2 Cu N3 O S -","- C19 H21 Cl2 Cu N3 O S -","- C76 H84 Cl8 Cu4 N12 O4 S4 -","4","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.0755","0.038","","","0.0615","0.0665","","","","","","1.008","","","","has coordinates","219282","2020-10-21","18:00:00",""
"4106011","8.576","0.001","10.448","0.002","11.856","0.002","93.069","0.003","109.67","0.002","110.08","0.002","922.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H38 Cl4 Cu2 N6 O2 S2 -","- C28 H38 Cl4 Cu2 N6 O2 S2 -","- C28 H38 Cl4 Cu2 N6 O2 S2 -","1","0.5","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.0545","0.0357","","","0.0787","0.0843","","","","","","1.003","","","","has coordinates,has disorder","219282","2020-10-21","18:00:00",""
"4106012","9.371","0.003","10.681","0.004","12.106","0.004","100.153","0.006","108.798","0.006","109.823","0.006","1022.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H50 Cl4 Cu2 N6 O3 S2 -","- C33 H50 Cl4 Cu2 N6 O3 S2 -","- C33 H50 Cl4 Cu2 N6 O3 S2 -","1","0.5","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.062","0.0402","","","0.0918","0.1023","","","","","","1.018","","","","has coordinates,has disorder","219282","2020-10-21","18:00:00",""
"4106013","9.304","0.006","11.801","0.008","12.441","0.009","73.951","0.009","74.725","0.009","68.733","0.009","1202.9","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H62 Cl4 Cu2 N6 O2 S2 -","- C40 H62 Cl4 Cu2 N6 O2 S2 -","- C40 H62 Cl4 Cu2 N6 O2 S2 -","1","0.5","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.2196","0.0679","","","0.0795","0.0948","","","","","","1.007","","","","has coordinates","219282","2020-10-21","18:00:00",""
"4106014","8.685","0.003","15.198","0.006","15.769","0.006","90","","93.87","0.01","90","","2076.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl4 Cu2 N8 -","- C14 H16 Cl4 Cu2 N8 -","- C56 H64 Cl16 Cu8 N32 -","4","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.1106","0.0381","","","0.0503","0.0572","","","","","","0.876","","","","has coordinates","219282","2020-10-21","18:00:00",""
"4106015","9.337","0.003","9.811","0.003","13.137","0.004","84.748","0.006","74.118","0.005","85.003","0.006","1150.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H32 Cl2 Cu N4 -","- C19 H32 Cl2 Cu N4 -","- C38 H64 Cl4 Cu2 N8 -","2","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.1436","0.0521","","","0.0514","0.059","","","","","","0.918","","","","has coordinates,has disorder","219282","2020-10-21","18:00:00",""
"4106016","8.483","0.001","20.248","0.003","11.613","0.002","90","","105.14","0.004","90","","1925.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cl4 Cu2 N8 S2 -","- C38 H32 Cl4 Cu2 N8 S2 -","- C76 H64 Cl8 Cu4 N16 S4 -","2","0.5","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.1375","0.0459","","","0.0604","0.0713","","","","","","0.71","","","","has coordinates","219282","2020-10-21","18:00:00",""
"4106017","8.99","0.004","17.036","0.007","17.751","0.008","107.32","0.007","93.791","0.007","98.286","0.007","2551.1","1.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H50.5 Cl4 Cu2 N8 O1.25 S2 -","- C46 H48 Cl4 Cu2 N8 O1.246 S2 -","- C92 H96 Cl8 Cu4 N16 O2.492 S4 -","2","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.1845","0.1056","","","0.2762","0.3319","","","","","","1.001","","","","has coordinates,has disorder","219282","2020-10-21","18:00:00",""
"4106018","13.002","0.001","16.61","0.002","15.314","0.001","90","","106.683","0.005","90","","3168.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H40 Cl2 Cu N4 S -","- C31 H40 Cl2 Cu N4 S -","- C124 H160 Cl8 Cu4 N16 S4 -","4","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.0777","0.0324","","","0.0543","0.0613","","","","","","1.004","","","","has coordinates","219282","2020-10-21","18:00:00",""
"4106019","7.263","0.001","15.448","0.002","18.549","0.002","90","","90","","90","","2081.2","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl2 Cu N4 S -","- C18 H22 Cl2 Cu N4 S -","- C72 H88 Cl8 Cu4 N16 S4 -","4","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.0485","0.0336","","","0.0755","0.0821","","","","","","1.034","","","","has coordinates","219282","2020-10-21","18:00:00",""
"4106020","10.011","0.001","17.382","0.002","17.323","0.002","90","","90.74","0.002","90","","3014.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cl2 Cu N4 S -","- C26 H38 Cl2 Cu N4 S -","- C104 H152 Cl8 Cu4 N16 S4 -","4","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.1099","0.0429","","","0.0646","0.0705","","","","","","1.009","","","","has coordinates,has disorder","219282","2020-10-21","18:00:00",""
"4106021","10.717","0.002","12.806","0.003","13.365","0.003","62.799","0.005","89.557","0.005","89.749","0.006","1631.3","0.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H48 Al Cl5 Mg O6 -","- C24 H48 Al Cl5 Mg O6 -","- C48 H96 Al2 Cl10 Mg2 O12 -","2","1","","Nir Pour; Yossi Gofer; Dan T. Major; Doron Aurbach","Structural Analysis of Electrolyte Solutions for Rechargeable Mg Batteries by Stereoscopic Means and DFT Calculations","Journal of the American Chemical Society","2011","133","","6270","6278","10.1021/ja1098512","","","0.71073","MoKα","","0.1383","0.1281","","","0.3346","0.3376","","","","","","1.089","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106022","16.5236","0.0009","16.3584","0.001","39.2632","0.0019","90","","111.126","0.002","90","","9899.5","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 Al Cl3 Mg2 O6 -","- C48 H68 Al Cl3 Mg2 O6 -","- C384 H544 Al8 Cl24 Mg16 O48 -","8","2","","Nir Pour; Yossi Gofer; Dan T. Major; Doron Aurbach","Structural Analysis of Electrolyte Solutions for Rechargeable Mg Batteries by Stereoscopic Means and DFT Calculations","Journal of the American Chemical Society","2011","133","","6270","6278","10.1021/ja1098512","","","0.71073","MoKα","","0.1164","0.0855","","","0.2093","0.2259","","","","","","1.069","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106023","25.283","0.002","15.3956","0.0012","20.7739","0.0017","90","","94.899","0.004","90","","8056.6","1.1","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Sm@C2(40)-C90.Ni(OEP).2chlorobenzene","","","- C138 H54 Cl2 N4 Ni Sm -","- C138.68 H54 Cl2 N4 Ni Sm -","- C554.72 H216 Cl8 N16 Ni4 Sm4 -","4","0.5","","Hua Yang; Hongxiao Jin; Hongyu Zhen; Zhimin Wang; Ziyang Liu; Christine M. Beavers; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Isolation and Crystallographic Identification of Four Isomers of Sm@C90","Journal of the American Chemical Society","2011","133","","6299","6306","10.1021/ja111465n","","","0.7749","synchrotron","","0.0678","0.066","","","0.1809","0.1824","","","","","","1.037","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106024","25.274","0.007","15.378","0.004","20.749","0.006","90","","94.921","0.003","90","","8035","4","120","2","120","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@C2(42)-C90.Ni(OEP).2toluene","","","- C140 H60 N4 Ni Sm -","- C142 H60 N4 Ni Sm0.9998 -","- C568 H240 N16 Ni4 Sm3.9992 -","4","0.5","","Hua Yang; Hongxiao Jin; Hongyu Zhen; Zhimin Wang; Ziyang Liu; Christine M. Beavers; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Isolation and Crystallographic Identification of Four Isomers of Sm@C90","Journal of the American Chemical Society","2011","133","","6299","6306","10.1021/ja111465n","","","0.6889","synchrotron","","0.0713","0.0671","","","0.1822","0.1868","","","","","","1.061","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106025","25.5939","0.0013","15.2087","0.0006","41.538","0.002","90","","95.15","0.003","90","","16103.4","1.3","90","2","90","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Sm@C90(90:46)NiOEP.2toluene","","","- C140 H60 N4 Ni Sm -","- C140 H60 N4 Ni Sm -","- C1120 H480 N32 Ni8 Sm8 -","8","1","","Hua Yang; Hongxiao Jin; Hongyu Zhen; Zhimin Wang; Ziyang Liu; Christine M. Beavers; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Isolation and Crystallographic Identification of Four Isomers of Sm@C90","Journal of the American Chemical Society","2011","133","","6299","6306","10.1021/ja111465n","","","0.71073","MoKα","","0.0914","0.0775","","","0.2176","0.2336","","","","","","1.065","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106026","25.5046","0.0007","15.3357","0.0004","20.6732","0.0006","90","","95.399","0.002","90","","8050.1","0.4","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@C90(C2:45)^.^Ni(OEP)^.^2toluene","","","- C140 H60 N4 Ni Sm -","- C140.5 H60 N4 Ni Sm0.9988 -","- C562 H240 N16 Ni4 Sm3.9952 -","4","0.5","","Hua Yang; Hongxiao Jin; Hongyu Zhen; Zhimin Wang; Ziyang Liu; Christine M. Beavers; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Isolation and Crystallographic Identification of Four Isomers of Sm@C90","Journal of the American Chemical Society","2011","133","","6299","6306","10.1021/ja111465n","","","0.71073","MoKα","","0.0673","0.0526","","","0.1375","0.152","","","","","","1.024","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106027","8.2094","0.001","28.466","0.003","8.8206","0.001","90","","109.406","0.002","90","","1944.2","0.4","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","frojh02","","","- C21 H28 O7 -","- C21 H28 O7 -","- C84 H112 O28 -","4","1","","Jie Huang; David Leboeuf; Alison J. Frontier","Understanding the Fate of the Oxyallyl Cation following Nazarov Electrocyclization: Sequential Wagner-Meerwein Migrations and the Synthesis of Spirocyclic Cyclopentenones","Journal of the American Chemical Society","2011","133","","6307","6317","10.1021/ja111504w","","","0.71073","MoKα","","0.0616","0.0454","","","0.1135","0.1227","","","","","","1.016","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106028","13.0353","0.0009","16.0013","0.0007","16.8519","0.0011","90","","92.304","0.005","90","","3512.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H58 N3 O2 Si6 Yb -","- C20 H58 N3 O2 Si6 Yb -","- C80 H232 N12 O8 Si24 Yb4 -","4","1","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.0849","0.0612","","","0.0859","0.0906","","","","","","1.228","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106029","15.8846","0.0003","15.8846","0.0003","8.6025","0.0004","90","","90","","120","","1879.78","0.1","123","2","123","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C24 H60 Al3 O3 Sc -","- C24 H60 Al3 O3 Sc -","- C48 H120 Al6 O6 Sc2 -","2","0.333333","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.031","0.0296","","","0.088","0.0886","","","","","","1.11","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106030","16.121","0.0004","16.121","0.0004","8.6164","0.0005","90","","90","","120","","1939.28","0.13","123","2","123","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C24 H60 Al3 Nd O3 -","- C24 H60 Al3 Nd O3 -","- C48 H120 Al6 Nd2 O6 -","2","0.333333","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.016","0.0153","","","0.0417","0.0419","","","","","","1.137","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106031","17.8247","0.0013","18.2909","0.0012","13.7888","0.001","90","","108.531","0.006","90","","4262.5","0.5","100","","100","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H36 Al3 Ce -","- C12 H36 Al3 Ce -","- C96 H288 Al24 Ce8 -","8","2","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","x-ray","0.56085","AgKα","","0.0806","0.0472","","","0.0838","0.0952","","","","","","1.064","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106032","10.8897","0.0013","15.7289","0.0019","12.505","0.002","90","","102.124","0.002","90","","2094.1","0.5","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 Al3 Tm -","- C12 H36 Al3 Tm -","- C48 H144 Al12 Tm4 -","4","0.5","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.0111","0.0108","","","0.0273","0.0275","","","","","","1.116","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106033","7.386","0.0013","17.683","0.006","32.23","0.011","90","","92.52","0.02","90","","4205","2","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H36 Al3 Yb -","- C12 H36 Al3 Yb -","- C96 H288 Al24 Yb8 -","8","2","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.0778","0.0626","","","0.1698","0.1826","","","","","","1.029","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106034","10.8877","0.0004","15.7129","0.0005","12.4928","0.0005","90","","101.819","0.003","90","","2091.92","0.13","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 Al3 Yb -","- C12 H36 Al3 Yb -","- C48 H144 Al12 Yb4 -","4","0.5","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.0248","0.0202","","","0.0471","0.0475","","","","","","1.201","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106035","7.4556","0.0009","20.036","0.002","17.65","0.002","90","","96.598","0.009","90","","2619.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H45 Al4 Yb -","- C15 H45 Al4 Yb -","- C60 H180 Al16 Yb4 -","4","1","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.0987","0.0729","","","0.1119","0.1184","","","","","","1.27","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106036","11.8535","0.0006","11.8535","0.0006","27.0516","0.0014","90","","90","","120","","3291.7","0.3","123","2","123","2","","","","","","","","4","P 32","P 32","145","","","","- C32 H80 Al4 Eu2 -","- C32 H80 Al4 Eu2 -","- C96 H240 Al12 Eu6 -","3","1","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.0594","0.0575","","","0.142","0.1439","","","","","","1.159","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106037","14.6676","0.0008","18.9334","0.0011","27.3174","0.0016","90","","90","","90","","7586.2","0.8","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H45 F6 Ir N5 O P -","- C37 H45 F6 Ir N5 O P -","- C296 H360 F48 Ir8 N40 O8 P8 -","8","1","","Michael J. Cowley; Ralph W. Adams; Kevin D. Atkinson; Martin C. R. Cockett; Simon B. Duckett; Gary G. R. Green; Joost A. B. Lohman; Rainer Kerssebaum; David Kilgour; Ryan E. Mewis","Iridium N-Heterocyclic Carbene Complexes as Efficient Catalysts for Magnetization Transfer frompara-Hydrogen","Journal of the American Chemical Society","2011","133","","6134","6137","10.1021/ja200299u","","","0.71073","MoKα","","0.0447","0.031","","","0.0736","0.0815","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106038","13.9129","0.001","13.9129","0.001","16.236","0.002","79.081","0.007","65.96","0.007","60.573","0.006","2499.7","0.4","90","2","90","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C12 H12 I2 -","- C12 H12 I2 -","- C96 H96 I16 -","8","4","","Cyprien Lemouchi; Cortnie S. Vogelsberg; Leokadiya Zorina; Sergey Simonov; Patrick Batail; Stuart E. Brown; Miguel A. Garcia-Garibay","Ultra-fast Rotors for Molecular Machines and Functional Materials via Halogen Bonding: Crystals of 1,4-Bis(iodoethynyl)bicyclo[2.2.2]octane with Distinct Gigahertz Rotation at Two Sites","Journal of the American Chemical Society","2011","133","","6371","6379","10.1021/ja200503j","","","0.71073","MoKα","","0.0809","0.0519","","","0.1297","0.1478","","","","","","1.06","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106039","31.769","0.003","7.0328","0.0008","12.0594","0.0004","90","","110.9","0.006","90","","2517.1","0.4","130","1","130","1","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 I2 -","- C12 H12 I2 -","- C96 H96 I16 -","8","1","","Cyprien Lemouchi; Cortnie S. Vogelsberg; Leokadiya Zorina; Sergey Simonov; Patrick Batail; Stuart E. Brown; Miguel A. Garcia-Garibay","Ultra-fast Rotors for Molecular Machines and Functional Materials via Halogen Bonding: Crystals of 1,4-Bis(iodoethynyl)bicyclo[2.2.2]octane with Distinct Gigahertz Rotation at Two Sites","Journal of the American Chemical Society","2011","133","","6371","6379","10.1021/ja200503j","","","0.71073","MoKα","","0.0497","0.0316","","","0.0667","0.0781","","","","","","1.026","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106040","31.576","0.002","7.1977","0.0005","12.2949","0.0007","90","","111.674","0.006","90","","2596.8","0.3","295","2","295","2","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 I2 -","- C12 H12 I2 -","- C96 H96 I16 -","8","1","","Cyprien Lemouchi; Cortnie S. Vogelsberg; Leokadiya Zorina; Sergey Simonov; Patrick Batail; Stuart E. Brown; Miguel A. Garcia-Garibay","Ultra-fast Rotors for Molecular Machines and Functional Materials via Halogen Bonding: Crystals of 1,4-Bis(iodoethynyl)bicyclo[2.2.2]octane with Distinct Gigahertz Rotation at Two Sites","Journal of the American Chemical Society","2011","133","","6371","6379","10.1021/ja200503j","","","0.71073","MoKα","","0.0586","0.0364","","","0.0945","0.1082","","","","","","1.007","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106041","14.868","0.003","27.799","0.006","17.357","0.004","90","","99.206","0.004","90","","7082","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66.92 H91.33 Cr3 N6 P3 -","- C64 H88 Cr3 N6 P3 -","- C256 H352 Cr12 N24 P12 -","4","0.5","","Khalid Albahily; Valeria Fomitcheva; Sandro Gambarotta; Ilia Korobkov; Muralee Murugesu; Serge I. Gorelsky","Preparation and Characterization of a Reduced Chromium Complex via Vinyl Oxidative Coupling: Formation of a Self-Activating Catalyst for Selective Ethylene Trimerization","Journal of the American Chemical Society","2011","133","","6380","6387","10.1021/ja200593k","","","0.71073","MoKα","","0.104","0.0576","","","0.1206","0.1334","","","","","","1.042","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106042","10.1969","0.0004","12.1806","0.0005","13.2273","0.0005","76.674","0.002","89.632","0.002","82.685","0.002","1585.19","0.11","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","2","","Yi-Feng Wang; Kah Kah Toh; Eileen Pei Jian Ng; Shunsuke Chiba","Mn(III)-Mediated Formal [3+3]-Annulation of Vinyl Azides and Cyclopropanols: A Divergent Synthesis of Azaheterocycles","Journal of the American Chemical Society","2011","133","","6411","6421","10.1021/ja200879w","","","0.71073","MoKα","","0.1056","0.0688","","","0.1846","0.2122","","","","","","1.016","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106043","20.8569","0.0004","7.807","0.0002","22.9581","0.0007","90","","90","","90","","3738.26","0.17","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C184 H216 N8 O16 -","8","1","","Yi-Feng Wang; Kah Kah Toh; Eileen Pei Jian Ng; Shunsuke Chiba","Mn(III)-Mediated Formal [3+3]-Annulation of Vinyl Azides and Cyclopropanols: A Divergent Synthesis of Azaheterocycles","Journal of the American Chemical Society","2011","133","","6411","6421","10.1021/ja200879w","","","0.71073","MoKα","","0.0739","0.0594","","","0.1371","0.144","","","","","","1.119","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106044","24.988","0.002","7.0092","0.0006","13.0681","0.0011","90","","102.997","0.004","90","","2230.2","0.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N O2 -","- C29 H31 N O2 -","- C116 H124 N4 O8 -","4","1","","Yi-Feng Wang; Kah Kah Toh; Eileen Pei Jian Ng; Shunsuke Chiba","Mn(III)-Mediated Formal [3+3]-Annulation of Vinyl Azides and Cyclopropanols: A Divergent Synthesis of Azaheterocycles","Journal of the American Chemical Society","2011","133","","6411","6421","10.1021/ja200879w","","","0.71073","MoKα","","0.1339","0.1179","","","0.3607","0.37","","","","","","1.183","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106045","24.9305","0.0009","11.2301","0.0004","9.7869","0.0004","90","","109.799","0.002","90","","2578.08","0.17","200","2","200","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36.8 H83.2 Cl2 Cr2 N8 P4 -","- C36.8 H87.2 Cl2 Cr2 N8 P4 -","- C73.6 H174.4 Cl4 Cr4 N16 P8 -","2","0.25","","Khalid Albahily; Yacoob Shaikh; Elena Sebastiao; Sandro Gambarotta; Ilia Korobkov; Serge I. Gorelsky","Vinyl Oxidative Coupling as a Synthetic Route to Catalytically Active Monovalent Chromium","Journal of the American Chemical Society","2011","133","","6388","6395","10.1021/ja201003j","","","0.71073","MoKα","","0.0871","0.0717","","","0.1849","0.1968","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106046","16.3492","0.0008","9.8141","0.0005","19.5718","0.001","90","","110.647","0.003","90","","2938.6","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H50 Cr Li N4 O P2 -","- C24 H50 Cr Li N4 O P2 -","- C96 H200 Cr4 Li4 N16 O4 P8 -","4","1","","Khalid Albahily; Yacoob Shaikh; Elena Sebastiao; Sandro Gambarotta; Ilia Korobkov; Serge I. Gorelsky","Vinyl Oxidative Coupling as a Synthetic Route to Catalytically Active Monovalent Chromium","Journal of the American Chemical Society","2011","133","","6388","6395","10.1021/ja201003j","","","0.71073","MoKα","","0.0947","0.0524","","","0.1238","0.1422","","","","","","1.029","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106047","13.5057","0.0006","16.7235","0.0008","8.9182","0.0004","90","","90","","90","","2014.29","0.16","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H33 Cr N2 P2 -","- C15 H33 Cr N2 P2 -","- C60 H132 Cr4 N8 P8 -","4","0.5","","Khalid Albahily; Yacoob Shaikh; Elena Sebastiao; Sandro Gambarotta; Ilia Korobkov; Serge I. Gorelsky","Vinyl Oxidative Coupling as a Synthetic Route to Catalytically Active Monovalent Chromium","Journal of the American Chemical Society","2011","133","","6388","6395","10.1021/ja201003j","","","0.71073","MoKα","","0.1182","0.0741","","","0.1053","0.1158","","","","","","1.086","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106048","10.635","0.005","15.822","0.007","19.35","0.008","90","","105.545","0.007","90","","3137","2","201","2","201","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H52 Li2 N4 O2 P2 -","- C24 H52 Li2 N4 O2 P2 -","- C96 H208 Li8 N16 O8 P8 -","4","1","","Khalid Albahily; Yacoob Shaikh; Elena Sebastiao; Sandro Gambarotta; Ilia Korobkov; Serge I. Gorelsky","Vinyl Oxidative Coupling as a Synthetic Route to Catalytically Active Monovalent Chromium","Journal of the American Chemical Society","2011","133","","6388","6395","10.1021/ja201003j","","","0.71073","MoKα","","0.1037","0.0521","","","0.1287","0.1566","","","","","","1.024","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106049","6.2025","0.0007","15.2313","0.0016","20.73","0.002","90","","96.957","0.002","90","","1944","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 I N O2 S -","- C20 H22 I N O2 S -","- C80 H88 I4 N4 O8 S4 -","4","1","","Hui Liu; Chaolong Li; Dong Qiu; Xiaofeng Tong","Palladium-Catalyzed Cycloisomerizations of (Z)-1-Iodo-1,6-dienes: Iodine Atom Transfer and Mechanistic Insight to Alkyl Iodide Reductive Elimination","Journal of the American Chemical Society","2011","133","","6187","6193","10.1021/ja201204g","","","0.71073","MoKα","","0.0494","0.0412","","","0.1152","0.1188","","","","","","1.094","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106050","11.1599","0.0013","11.8226","0.0016","13.738","0.002","94.584","0.006","99.776","0.007","107.912","0.007","1682.7","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H31 F3 O6 P2 S3 U -","- C30 H31 F3 O6 P2 S3 U -","- C60 H62 F6 O12 P4 S6 U2 -","2","1","","Jean-Christophe Tourneux; Jean-Claude Berthet; Thibault Cantat; Pierre Thuéry; Nicolas Mézailles; Michel Ephritikhine","Exploring the Uranyl Organometallic Chemistry: From Single to Double Uranium-Carbon Bonds","Journal of the American Chemical Society","2011","133","","6162","6165","10.1021/ja201276h","","","0.71073","MoKα","","0.098","0.0682","","","0.1618","0.1763","","","","","","1.02","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106051","10.9228","0.0004","25.5141","0.0005","18.4246","0.0007","90","","99.343","0.002","90","","5066.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H50 O3 P4 S4 U -","- C54 H50 O3 P4 S4 U -","- C216 H200 O12 P16 S16 U4 -","4","1","","Jean-Christophe Tourneux; Jean-Claude Berthet; Thibault Cantat; Pierre Thuéry; Nicolas Mézailles; Michel Ephritikhine","Exploring the Uranyl Organometallic Chemistry: From Single to Double Uranium-Carbon Bonds","Journal of the American Chemical Society","2011","133","","6162","6165","10.1021/ja201276h","","","0.71073","MoKα","","0.041","0.0276","","","0.0532","0.0558","","","","","","1.027","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106052","10.9372","0.0007","11.7627","0.001","13.7945","0.0011","81.539","0.004","88.54","0.005","71.934","0.005","1668.4","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H30 N2 O2 P2 S2 U -","- C35 H30 N2 O2 P2 S2 U -","- C70 H60 N4 O4 P4 S4 U2 -","2","1","","Jean-Christophe Tourneux; Jean-Claude Berthet; Thibault Cantat; Pierre Thuéry; Nicolas Mézailles; Michel Ephritikhine","Exploring the Uranyl Organometallic Chemistry: From Single to Double Uranium-Carbon Bonds","Journal of the American Chemical Society","2011","133","","6162","6165","10.1021/ja201276h","","","0.71073","MoKα","","0.0561","0.0451","","","0.1058","0.1096","","","","","","1.064","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106053","11.0767","0.0005","11.4194","0.0005","16.1005","0.0005","98.465","0.002","104.272","0.003","111.859","0.002","1765.94","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.5 H32.5 N2.5 O2 P2 S2 U -","- C38 H32.49 N2 O2 P2 S2 U -","- C76 H64.98 N4 O4 P4 S4 U2 -","2","1","","Jean-Christophe Tourneux; Jean-Claude Berthet; Thibault Cantat; Pierre Thuéry; Nicolas Mézailles; Michel Ephritikhine","Exploring the Uranyl Organometallic Chemistry: From Single to Double Uranium-Carbon Bonds","Journal of the American Chemical Society","2011","133","","6162","6165","10.1021/ja201276h","","","0.71073","MoKα","","0.0293","0.023","","","0.0543","0.0554","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106054","14.167","0.004","9.762","0.002","16.468","0.004","90","","92.121","0.003","90","","2275.9","1","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Br N O4 -","- C26 H24 Br N O4 -","- C104 H96 Br4 N4 O16 -","4","2","","Keiji Mori; Kensuke Ehara; Kazuki Kurihara; Takahiko Akiyama","Selective Activation of Enantiotopic C(sp3)-Hydrogen by Means of Chiral Phosphoric Acid: Asymmetric Synthesis of Tetrahydroquinoline Derivatives","Journal of the American Chemical Society","2011","133","","6166","6169","10.1021/ja2014955","","","0.71073","MoKα","","0.0625","0.0428","","","0.0839","0.0904","","","","","","0.975","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106055","9.0827","0.0012","11.2356","0.0014","18.831","0.002","90","","90","","90","","1921.7","0.4","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N O4 -","- C21 H22 Br N O4 -","- C84 H88 Br4 N4 O16 -","4","1","","Keiji Mori; Kensuke Ehara; Kazuki Kurihara; Takahiko Akiyama","Selective Activation of Enantiotopic C(sp3)-Hydrogen by Means of Chiral Phosphoric Acid: Asymmetric Synthesis of Tetrahydroquinoline Derivatives","Journal of the American Chemical Society","2011","133","","6166","6169","10.1021/ja2014955","","","0.71073","MoKα","","0.0311","0.0278","","","0.0642","0.0653","","","","","","1.003","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106056","9.8401","0.0003","13.327","0.0004","13.9118","0.0004","85.14","0.002","82.484","0.001","80.871","0.001","1781.98","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","1-Hydroxy-1-(4-cyanophenyl))methyldiphenylphosphine-borane","","- C20 H19 B N O P -","- C20 H19 B N O P -","- C80 H76 B4 N4 O4 P4 -","4","2","","Gabriella Barozzino Consiglio; Pierre Queval; Anne Harrison-Marchand; Alessandro Mordini; Jean-François Lohier; Olivier Delacroix; Annie-Claude Gaumont; Hélène Gérard; Jacques Maddaluno; Hassan Oulyadi","Ph2P(BH3)Li: From Ditopicity to Dual Reactivity","Journal of the American Chemical Society","2011","133","","6472","6480","10.1021/ja201760c","","","0.71073","MoKα","","0.0485","0.0409","","","0.113","0.12","","","","","","1.043","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106057","34.983","0.003","14.0674","0.0012","24.973","0.002","90","","94","0.005","90","","12259.8","1.8","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C147 H126 Cl6 N4 P8 Ru2 -","- C147 H126 Cl6 N4 P8 Ru2 -","- C588 H504 Cl24 N16 P32 Ru8 -","4","0.5","","Emmanuel Di Piazza; Lucie Norel; Karine Costuas; Adrien Bourdolle; Olivier Maury; Stéphane Rigaut","d-f Heterobimetallic Association between Ytterbium and Ruthenium Carbon-Rich Complexes: Redox Commutation of Near-IR Luminescence","Journal of the American Chemical Society","2011","133","","6174","6176","10.1021/ja2023515","","x-ray","0.71073","MoKα","","0.0925","0.0657","","","0.1769","0.1965","","","","","","1.064","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106058","34.9026","0.0013","11.1394","0.0004","25.5872","0.001","90","","124.259","0.001","90","","8222.2","0.5","113.1","","113.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 N2 O2 Pt -","- C22 H26 N2 O2 Pt -","- C352 H416 N32 O32 Pt16 -","16","2","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0643","","","","0.0829","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106059","13.0042","0.0005","13.5725","0.0006","14.1166","0.0007","103.615","0.0014","102.927","0.0013","114.034","0.0012","2063.3","0.16","113.1","","113.1","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 N2 O2 Pt -","- C23 H28 N2 O2 Pt -","- C92 H112 N8 O8 Pt4 -","4","2","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0273","","","","0.0561","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106060","12.8077","0.0006","27.0706","0.0013","13.9033","0.0007","90","","113.592","0.0011","90","","4417.5","0.4","113.1","","113.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O2 Pt -","- C24 H30 N2 O2 Pt -","- C192 H240 N16 O16 Pt8 -","8","2","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0791","","","","0.1791","","","","","","1.192","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106061","12.8355","0.0012","28.543","0.003","13.7826","0.0013","90","","113.5","0.002","90","","4630.6","0.8","113.1","","113.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 N2 O2 Pt -","- C25 H32 N2 O2 Pt -","- C200 H256 N16 O16 Pt8 -","8","2","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0822","","","","0.2288","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106062","11.9052","0.0007","18.6426","0.0012","21.9089","0.0012","90","","100.391","0.0018","90","","4782.8","0.5","113.1","","113.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H34 N2 O2 Pt -","- C26 H34 N2 O2 Pt -","- C208 H272 N16 O16 Pt8 -","8","1","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0219","","","","0.0515","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106063","10.9034","0.0004","19.6605","0.0007","23.3795","0.001","90","","94.0904","0.0013","90","","4999","0.3","113.1","","113.1","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H36 N2 O2 Pt -","- C27 H36 N2 O2 Pt -","- C216 H288 N16 O16 Pt8 -","8","2","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.025","","","","0.0615","","","","","","0.908","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106064","19.5975","0.0012","28.5314","0.0016","17.758","0.0011","90","","152.238","0.0008","90","","4625.1","0.5","113","","113","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H27 N2 O5.5 Pt -","- C22 H26 N2 O5.5 Pt -","- C176 H208 N16 O44 Pt8 -","8","2","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0313","","","","0.0661","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106065","25.822","0.002","10.3809","0.0009","19.6309","0.0016","90","","115.151","0.002","90","","4763.3","0.7","113.1","","113.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 N2 O6 Pt -","- C24 H30 N2 O6 Pt -","- C192 H240 N16 O48 Pt8 -","8","1","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0423","","","","0.088","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106066","18.5211","0.0007","5.4679","0.0002","15.7398","0.0006","90","","116.021","0.0012","90","","1432.42","0.09","96","","96","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O2 Pt -","- C16 H16 N2 O2 Pt -","- C64 H64 N8 O8 Pt4 -","4","1","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0244","","","","0.1405","","","","","","1.406","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106067","11.4352","0.0004","13.2","0.0004","20.9102","0.0007","90","","103.834","0.001","90","","3064.73","0.18","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H54 B Mo N7 P -","- C27.35 H36 B Mo N7 P -","- C109.4 H144 B4 Mo4 N28 P4 -","4","1","","Oleg G. Shirobokov; Lyudmila G. Kuzmina; Georgii I. Nikonov","Nonhydride Mechanism of Metal-Catalyzed Hydrosilylation","Journal of the American Chemical Society","2011","133","","6487","6489","10.1021/ja111748u","","","0.71073","MoKα","","0.0541","0.0431","","","0.117","0.1235","","","","","","1.09","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106068","14.942","0.0005","19.918","0.0008","25.3474","0.0009","85.831","0.002","89.63","0.002","88.845","0.002","7522.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Sc2S@Cs(6)-C82.Ni(OEP).2benzene","","","- C130 H56 N4 Ni S Sc2 -","- C130 H56 N4 Ni S Sc2 -","- C520 H224 N16 Ni4 S4 Sc8 -","4","2","","Brandon Q. Mercado; Ning Chen; Antonio Rodríguez-Fortea; Mary A. Mackey; Steven Stevenson; Luis Echegoyen; Josep M. Poblet; Marilyn M. Olmstead; Alan L. Balch","The Shape of the Sc2(μ2-S) Unit Trapped in C82: Crystallographic, Computational, and Electrochemical Studies of the Isomers, Sc2(μ2-S)@Cs(6)-C82 and Sc2(μ2-S)@C3v(8)-C82","Journal of the American Chemical Society","2011","133","","6752","6760","10.1021/ja200289w","","","0.7749","synchrotron","","0.0869","0.0749","","","0.2027","0.2202","","","","","","1.072","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106069","14.697","0.002","14.756","0.002","20.104","0.003","84.042","0.009","84.611","0.009","61.109","0.008","3791.9","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Sc2S@C3v(8)-C84.Ni(OEP).2(benzene)","","","- C130 H56 N4 Ni S Sc2 -","- C130 H56 N4 Ni S Sc2 -","- C260 H112 N8 Ni2 S2 Sc4 -","2","1","","Brandon Q. Mercado; Ning Chen; Antonio Rodríguez-Fortea; Mary A. Mackey; Steven Stevenson; Luis Echegoyen; Josep M. Poblet; Marilyn M. Olmstead; Alan L. Balch","The Shape of the Sc2(μ2-S) Unit Trapped in C82: Crystallographic, Computational, and Electrochemical Studies of the Isomers, Sc2(μ2-S)@Cs(6)-C82 and Sc2(μ2-S)@C3v(8)-C82","Journal of the American Chemical Society","2011","133","","6752","6760","10.1021/ja200289w","","","0.7749","synchrotron","","0.1915","0.1126","","","0.2936","0.345","","","","","","1.065","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106070","9.252","0.003","24.067","0.008","17.032","0.006","90","","96.5948","0.0013","90","","3767","2","103.15","","103","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C37 H41 F3 O7 P2 Pd S -","- C37 H41 F3 O7 P2 Pd S -","- C148 H164 F12 O28 P8 Pd4 S4 -","4","1","","Akifumi Nakamura; Kagehiro Munakata; Shingo Ito; Takuya Kochi; Lung Wa Chung; Keiji Morokuma; Kyoko Nozaki","Pd-Catalyzed Copolymerization of Methyl Acrylate with Carbon Monoxide: Structures, Properties and Mechanistic Aspects toward Ligand Design","Journal of the American Chemical Society","2011","133","","6761","6779","10.1021/ja2003268","","","0.7107","MoKα","","0.031","0.0285","","","0.0619","0.0635","","","","","","1.048","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106071","28.6545","0.0018","24.5738","0.0014","17.0791","0.0011","90","","95.935","0.002","90","","11961.8","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(Kcrypt)4[SbGe8-Ge8Sb] 3en","","- C78 H166 Ge16 K4 N14 O24 Sb2 -","- C78 H166 Ge16 K4 N14 O24 Sb2 -","- C312 H664 Ge64 K16 N56 O96 Sb8 -","4","1","","Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov","""n-Doping"" of Deltahedral Zintl Ions","Journal of the American Chemical Society","2011","133","","6560","6562","10.1021/ja200520c","","","0.71073","MoKα","","0.1403","0.0745","","","0.1826","0.2159","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106072","14.8186","0.0006","21.0218","0.0008","22.1137","0.0009","90","","131.022","0.002","90","","5197.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(K(18-c-6))4[SbGe8-Ge8Sb] 4en","","- C58 H134 Ge16 K4 N10 O24 Sb2 -","- C58 H134 Ge16 K4 N10 O24 Sb2 -","- C116 H268 Ge32 K8 N20 O48 Sb4 -","2","0.5","","Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov","""n-Doping"" of Deltahedral Zintl Ions","Journal of the American Chemical Society","2011","133","","6560","6562","10.1021/ja200520c","","","0.71073","MoKα","","0.1193","0.0557","","","0.1158","0.1393","","","","","","1.022","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106073","33.1657","0.0018","13.9299","0.0007","10.5431","0.0006","90","","90","","90","","4870.9","0.5","120","2","120","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","(Rb(18-crown-6))2[SbGe7-Ge7Sb] 1en","","- C26 H56 Ge7 N2 O12 Rb2 Sb2 -","- C26 H56 Ge6.99 N2 O12 Rb2 Sb2.01 -","- C104 H224 Ge27.96 N8 O48 Rb8 Sb8.04 -","4","0.5","","Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov","""n-Doping"" of Deltahedral Zintl Ions","Journal of the American Chemical Society","2011","133","","6560","6562","10.1021/ja200520c","","","0.71073","MoKα","","0.0861","0.0736","","","0.1713","0.1796","","","","","","1.06","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106074","12.9472","0.0009","16.5696","0.0009","16.5832","0.0009","81.879","0.003","69.709","0.002","84.921","0.003","3300.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(K-crypt)2[SbGe8-SbPh2]","","- C48 H82 Ge8 K2 N4 O12 Sb2 -","- C48 H82 Ge8 K2 N4 O12 Sb2 -","- C96 H164 Ge16 K4 N8 O24 Sb4 -","2","1","","Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov","""n-Doping"" of Deltahedral Zintl Ions","Journal of the American Chemical Society","2011","133","","6560","6562","10.1021/ja200520c","","","0.71073","MoKα","","0.0646","0.0462","","","0.1019","0.1133","","","","","","1.033","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106075","15.347","0.003","21.923","0.005","17.287","0.003","90","","90.963","0.011","90","","5815","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(K(18-crown-6))4[BiGe8-Ge8Bi] 5en","","- C58 H136 Bi2 Ge16 K4 N10 O24 -","- C58 H136 Bi2 Ge16 K4 N10 O24 -","- C116 H272 Bi4 Ge32 K8 N20 O48 -","2","0.5","","Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov","""n-Doping"" of Deltahedral Zintl Ions","Journal of the American Chemical Society","2011","133","","6560","6562","10.1021/ja200520c","","","0.71073","MoKα","","0.1446","0.0617","","","0.1381","0.1822","","","","","","1.006","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106076","11.8075","0.0008","11.2012","0.0007","21.5365","0.0014","90","","91.853","0.004","90","","2846.9","0.3","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","(K-crypt)2[SbGe8-CHCH2]","","- C38 H75 Ge8 K2 N4 O12 Sb -","- C38 H75 Ge8 K2 N4 O12 Sb -","- C76 H150 Ge16 K4 N8 O24 Sb2 -","2","0.5","","Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov","""n-Doping"" of Deltahedral Zintl Ions","Journal of the American Chemical Society","2011","133","","6560","6562","10.1021/ja200520c","","","0.71073","MoKα","","0.1332","0.0988","","","0.2185","0.2318","","","","","","1.19","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106077","9.8","0.004","9.819","0.004","21.005","0.008","79.398","0.011","80.237","0.011","79.763","0.012","1935.4","1.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 F3 N O2 -","- C24 H18 F3 N O2 -","- C96 H72 F12 N4 O8 -","4","2","","Itaru Nakamura; Toshiharu Araki; Masahiro Terada","Five-Bond Cleavage in Copper-Catalyzed Skeletal Rearrangement of O-Propargyl Arylaldoximes to β-Lactams","Journal of the American Chemical Society","2011","133","","6861","6861","10.1021/ja201074e","","","0.7107","MoKα","","","0.0603","","","","0.1783","","","","","","1.098","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106078","12.635","0.004","14.492","0.004","19.962","0.006","90","","90","","90","","3655.2","1.9","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N O -","- C24 H19 N O -","- C192 H152 N8 O8 -","8","1","","Itaru Nakamura; Dong Zhang; Masahiro Terada","Copper-Catalyzed Tandem [2,3]-Rearrangement and 6π-3-Azatriene Electrocyclization in (E)-O-Propargylic α,β-Unsaturated Oximes","Journal of the American Chemical Society","2011","133","","6862","6862","10.1021/ja201076c","","","0.7107","MoKα","","","0.1055","","","","0.1683","","","","","","1.42","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106079","14.227","0.003","14.836","0.003","24.446","0.005","73.894","0.003","76.732","0.003","68.275","0.003","4558.5","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C122 H81.2 Ag Cl12 P -","- C122 H81.2 Ag Cl12 P -","- C244 H162.4 Ag2 Cl24 P2 -","2","1","","Merissa Halim; Robert D. Kennedy; Mitsuharu Suzuki; Saeed I. Khan; Paula L. Diaconescu; Yves Rubin","Complexes of Gold(I), Silver(I), and Copper(I) with Pentaaryl[60]fullerides","Journal of the American Chemical Society","2011","133","","6841","6851","10.1021/ja201297r","","","0.71073","MoKα","","0.1162","0.0879","","","0.219","0.2422","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106080","26","0.004","24.254","0.004","28.202","0.004","90","","94.136","0.002","90","","17738","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C133 H87 Ag O0.5 P -","- C133 H87 Ag O0.5 P -","- C1064 H696 Ag8 O4 P8 -","8","2","","Merissa Halim; Robert D. Kennedy; Mitsuharu Suzuki; Saeed I. Khan; Paula L. Diaconescu; Yves Rubin","Complexes of Gold(I), Silver(I), and Copper(I) with Pentaaryl[60]fullerides","Journal of the American Chemical Society","2011","133","","6841","6851","10.1021/ja201297r","","","0.71073","MoKα","","0.147","0.0692","","","0.1615","0.1983","","","","","","1.019","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106081","17.674","0.004","23.521","0.005","18.549","0.004","90","","96.942","0.003","90","","7654","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C116 H50 Cu P S6 -","- C116 H50 Cu P S6 -","- C464 H200 Cu4 P4 S24 -","4","1","","Merissa Halim; Robert D. Kennedy; Mitsuharu Suzuki; Saeed I. Khan; Paula L. Diaconescu; Yves Rubin","Complexes of Gold(I), Silver(I), and Copper(I) with Pentaaryl[60]fullerides","Journal of the American Chemical Society","2011","133","","6841","6851","10.1021/ja201297r","","","0.71073","MoKα","","0.1021","0.0546","","","0.1262","0.1502","","","","","","1.009","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106082","15.9694","0.0013","16.1495","0.0014","20.9835","0.0018","81.018","0.001","83.415","0.001","63.649","0.001","4783.5","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C131 H83 Cl9 Cu P -","- C131 H83 Cl9 Cu P -","- C262 H166 Cl18 Cu2 P2 -","2","1","","Merissa Halim; Robert D. Kennedy; Mitsuharu Suzuki; Saeed I. Khan; Paula L. Diaconescu; Yves Rubin","Complexes of Gold(I), Silver(I), and Copper(I) with Pentaaryl[60]fullerides","Journal of the American Chemical Society","2011","133","","6841","6851","10.1021/ja201297r","","","0.71073","MoKα","","0.1747","0.0661","","","0.1453","0.1761","","","","","","0.827","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106083","9.3456","0.0006","10.2047","0.0006","12.7683","0.0008","90","","110.344","0.0007","90","","1141.75","0.12","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N4 O5 -","- C26 H24 N4 O5 -","- C52 H48 N8 O10 -","2","1","","John E. DeLorbe; Salman Y. Jabri; Steven M. Mennen; Larry E. Overman; Fang-Li Zhang","Enantioselective Total Synthesis of (+)-Gliocladine C: Convergent Construction of Cyclotryptamine-Fused Polyoxopiperazines and a General Approach for Preparing Epidithiodioxopiperazines from Trioxopiperazine Precursors","Journal of the American Chemical Society","2011","133","","6549","6552","10.1021/ja201789v","","","0.71073","MoKα","","0.0472","0.0439","","","0.1156","0.1184","","","","","","1.054","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106084","17.4546","0.0011","11.202","0.0007","29.432","0.0019","90","","105.571","0.0008","90","","5543.5","0.6","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26.5 H25 Cl3 N4 O4 S2 -","- C26.5 H25 Cl3 N4 O4 S2 -","- C212 H200 Cl24 N32 O32 S16 -","8","2","","John E. DeLorbe; Salman Y. Jabri; Steven M. Mennen; Larry E. Overman; Fang-Li Zhang","Enantioselective Total Synthesis of (+)-Gliocladine C: Convergent Construction of Cyclotryptamine-Fused Polyoxopiperazines and a General Approach for Preparing Epidithiodioxopiperazines from Trioxopiperazine Precursors","Journal of the American Chemical Society","2011","133","","6549","6552","10.1021/ja201789v","","","0.71073","MoKα","","0.0703","0.0573","","","0.1607","0.1729","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106085","15.948","0.002","4.6845","0.0007","30.67","0.004","90","","97.887","0.002","90","","2269.6","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55.64 H40.71 N4.94 O3.88 -","- C55.652 H40.71 N4.942 O3.884 -","- C111.304 H81.42 N9.884 O7.768 -","2","0.5","","Sandipan Dawn; Mahender B. Dewal; David Sobransingh; Monissa C. Paderes; Arief C. Wibowo; Mark D. Smith; Jeanette A. Krause; Perry J. Pellechia; Linda S. Shimizu","Self-Assembled Phenylethynylene Bis-urea Macrocycles Facilitate the Selective Photodimerization of Coumarin","Journal of the American Chemical Society","2011","133","","7025","7032","10.1021/ja110779h","","","0.7749","synchrotron","","0.0905","0.0715","","","0.2127","0.2266","","","","","","1.116","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106086","15.8778","0.0003","16.467","0.0003","17.9466","0.0003","88.0272","0.0008","72.4209","0.0008","69.9804","0.0007","4190.42","0.13","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","C60(tBuC6H4)5CoS3(C6H6)2.5","","- C125 H80 Co S3 -","- C125 H80 Co S3 -","- C250 H160 Co2 S6 -","2","1","","Masashi Maruyama; Jing-Dong Guo; Shigeru Nagase; Eiichi Nakamura; Yutaka Matsuo","Isolation of Planar Four-Membered Aromatic Systems by Using Confined Spaces of Cobalt Pentaaryl[60]fullerene Complexes","Journal of the American Chemical Society","2011","133","","6890","6893","10.1021/ja111474v","","","1.54187","CuKα","","0.1642","0.097","","","0.2134","0.2668","","","","","","1.084","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106087","16.3208","0.0003","16.8986","0.0004","17.3102","0.0005","81.841","0.002","69.7535","0.0017","73.2243","0.0015","4283.83","0.19","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C126 H85 Co S3 -","- C126 H85 Co S3 -","- C252 H170 Co2 S6 -","2","1","","Masashi Maruyama; Jing-Dong Guo; Shigeru Nagase; Eiichi Nakamura; Yutaka Matsuo","Isolation of Planar Four-Membered Aromatic Systems by Using Confined Spaces of Cobalt Pentaaryl[60]fullerene Complexes","Journal of the American Chemical Society","2011","133","","6890","6893","10.1021/ja111474v","","","1.54187","CuKα","","0.0801","0.0618","","","0.173","0.1815","","","","","","1.184","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106088","15.7683","0.0006","16.2029","0.0006","18.0541","0.0007","72.451","0.002","66.762","0.002","86.709","0.003","4031.2","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C124 H81 Co S2 -","- C124 H81 Co S2 -","- C248 H162 Co2 S4 -","2","1","","Masashi Maruyama; Jing-Dong Guo; Shigeru Nagase; Eiichi Nakamura; Yutaka Matsuo","Isolation of Planar Four-Membered Aromatic Systems by Using Confined Spaces of Cobalt Pentaaryl[60]fullerene Complexes","Journal of the American Chemical Society","2011","133","","6890","6893","10.1021/ja111474v","","","1.54187","CuKα","","0.2727","0.1132","","","0.2291","0.2838","","","","","","1.066","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106089","12.7155","0.0015","16.2674","0.0018","23.822","0.003","90","","96.242","0.002","90","","4898.3","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H68 N3 P Si6 U -","- C37 H68 N3 P Si6 U -","- C148 H272 N12 P4 Si24 U4 -","4","1","","Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton","Synthesis of a Phosphorano-Stabilized U(IV)-Carbene via One-Electron Oxidation of a U(III)-Ylide Adduct","Journal of the American Chemical Society","2011","133","","6894","6897","10.1021/ja2001133","","","0.71073","MoKα","","0.0821","0.0439","","","0.0922","0.1017","","","","","","0.985","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106090","10.822","0.009","11.711","0.01","19.296","0.016","83.326","0.013","89.784","0.014","83.18","0.012","2412","4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H70 N3 P Si6 U -","- C37 H70 N3 P Si6 U -","- C74 H140 N6 P2 Si12 U2 -","2","1","","Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton","Synthesis of a Phosphorano-Stabilized U(IV)-Carbene via One-Electron Oxidation of a U(III)-Ylide Adduct","Journal of the American Chemical Society","2011","133","","6894","6897","10.1021/ja2001133","","","0.71073","MoKα","","0.0809","0.0496","","","0.0998","0.1091","","","","","","0.923","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106091","9.425","0.01","9.633","0.007","19.58","0.02","101.9","0.07","98.01","0.07","103.41","0.06","1659","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H48 Li2 N6 -","- C36 H48 Li2 N6 -","- C72 H96 Li4 N12 -","2","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.1807","0.0862","","","0.1509","0.1905","","","","","","1.112","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106092","11.638","0.0014","10.9616","0.0013","20.954","0.003","90","","102.795","0.013","90","","2606.7","0.6","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Li2 N4 -","- C30 H34 Li2 N4 -","- C120 H136 Li8 N16 -","4","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.1171","0.044","","","0.0728","0.0866","","","","","","0.843","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106093","9.9517","0.0006","9.9517","0.0006","21.757","0.002","90","","90","","120","","1866.1","0.2","140","2","140","2","","","","","","","","5","P 31","P 31","144","","","","- C28 H35 Li N2 O2 -","- C28 H35 Li N2 O2 -","- C84 H105 Li3 N6 O6 -","3","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.088","0.0548","","","0.0957","0.1046","","","","","","0.944","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106094","11.674","0.002","14.028","0.003","14.417","0.003","90","","110.7","0.03","90","","2208.6","0.9","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 Cl2 Mg2 N4 O2 -","- C48 H54 Cl2 Mg2 N4 O2 -","- C96 H108 Cl4 Mg4 N8 O4 -","2","0.5","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.1218","0.0693","","","0.1559","0.182","","","","","","1.136","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106095","9.949","0.0008","12.5384","0.0019","14.8903","0.0016","113.657","0.01","91.947","0.007","111.582","0.008","1545.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14.5 H17 Cl2 N3 Ni -","- C14.5 H17 Cl2 N3 Ni -","- C58 H68 Cl8 N12 Ni4 -","4","2","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0822","0.0724","","","0.2213","0.2285","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106096","25.079","0.005","8.783","0.0018","16.494","0.003","90","","101.76","0.03","90","","3556.9","1.3","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Cl N3 Ni -","- C18 H24 Cl N3 Ni -","- C144 H192 Cl8 N24 Ni8 -","8","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.078","0.052","","","0.1098","0.1208","","","","","","1.12","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106097","24.052","0.003","12.1888","0.0018","8.7468","0.0012","90","","90","","90","","2564.3","0.6","140","2","140","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H34 N4 Ni -","- C30 H34 N4 Ni -","- C120 H136 N16 Ni4 -","4","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.096","0.0486","","","0.0815","0.0916","","","","","","0.906","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106098","14.755","0.003","10.848","0.002","20.482","0.004","90","","95.92","0.03","90","","3260.9","1.1","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 Cl N2 Ni P -","- C38 H36 Cl N2 Ni P -","- C152 H144 Cl4 N8 Ni4 P4 -","4","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0739","0.0542","","","0.1226","0.132","","","","","","0.995","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106099","9.209","0.0018","11.415","0.002","25.719","0.005","90","","90","","90","","2703.6","0.9","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 Cl N4 Ni -","- C30 H29 Cl N4 Ni -","- C120 H116 Cl4 N16 Ni4 -","4","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0442","0.0423","","","0.104","0.106","","","","","","1.112","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106100","11.3515","0.0005","13.3682","0.0012","19.724","0.002","90","","90","","90","","2993.1","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 Cl N4 Ni -","- C32 H33 Cl N4 Ni -","- C128 H132 Cl4 N16 Ni4 -","4","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0389","0.0306","","","0.0568","0.0599","","","","","","1.091","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106101","8.652","0.0017","13.343","0.003","17.759","0.004","90","","100.48","0.03","90","","2016","0.8","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Cl N3 Ni -","- C21 H24 Cl N3 Ni -","- C84 H96 Cl4 N12 Ni4 -","4","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0924","0.0735","","","0.1793","0.1913","","","","","","1.143","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106102","11.049","0.003","27.593","0.003","13.867","0.003","90","","92.802","0.015","90","","4222.6","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl N3 Ni -","- C22 H26 Cl N3 Ni -","- C176 H208 Cl8 N24 Ni8 -","8","2","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0794","0.0655","","","0.16","0.172","","","","","","1.17","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106103","15.2003","0.0016","16.024","0.003","19.873","0.004","90","","90","","90","","4840.5","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H28 Cl N3 Ni -","- C27 H28 Cl N3 Ni -","- C216 H224 Cl8 N24 Ni8 -","8","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0811","0.0502","","","0.0906","0.1022","","","","","","1.236","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106104","8.848","0.004","13.727","0.005","11.346","0.005","90","0.002","111.621","0.002","90","0.002","1281.1","0.9","153.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Hiroki Oguri; Takahisa Hiruma; Yutaka Yamagishi; Hideaki Oikawa; Aki Ishiyama; Kazuhiko Otoguro; Haruki Yamada; Satoshi Ōmura","Generation of Anti-trypanosomal Agents through Concise Synthesis and Structural Diversification of Sesquiterpene Analogues","Journal of the American Chemical Society","2011","133","","7096","7105","10.1021/ja200374q","","","0.7107","MoKα","","","0.0484","","","","0.1367","","","","","","1.349","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106105","8.15817","0.00015","12.4378","0.0002","13.4449","0.0003","90","","90","","90","","1364.25","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,4aS,8R,8aS)-8-hydroxy-4'-methyl-3,4,4a,5,6,7,8,8a- octahydro-2H-spiro[naphthalene-1,6'-[1,2]oxazine]-4a-carbonitrile","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","","Hiroki Oguri; Takahisa Hiruma; Yutaka Yamagishi; Hideaki Oikawa; Aki Ishiyama; Kazuhiko Otoguro; Haruki Yamada; Satoshi Ōmura","Generation of Anti-trypanosomal Agents through Concise Synthesis and Structural Diversification of Sesquiterpene Analogues","Journal of the American Chemical Society","2011","133","","7096","7105","10.1021/ja200374q","","","1.54187","CuKα","","0.0368","0.0317","","","0.0719","0.0778","","","","","","1.126","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106106","11.1899","0.0018","39.912","0.007","14.267","0.002","90","","92.541","0.013","90","","6365.5","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65.05 H85.15 Cl1.95 N3 O9.35 Ru3 -","- C65.05 H85.15 Cl1.95 N3 O9.35 Ru3 -","- C260.2 H340.6 Cl7.8 N12 O37.4 Ru12 -","4","1","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.0581","0.0449","","","0.0779","0.0825","","","","","","1.17","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106107","12.8074","0.001","17.1174","0.0015","19.0333","0.0013","104.466","0.007","92.224","0.006","111.419","0.008","3722","0.6","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C67.6 H64.6 Cl4.8 N3 O9 Ru3 -","- C67.6 H64.6 Cl4.8 N3 O9 Ru3 -","- C135.2 H129.2 Cl9.6 N6 O18 Ru6 -","2","1","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.1507","0.1015","","","0.2896","0.3137","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106108","11.7185","0.0006","13.5985","0.0008","21.1648","0.0008","93.476","0.004","96.109","0.004","114.941","0.005","3019.9","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H58 Cl3 N3 O9 Ru3 -","- C64 H58 Cl3 N3 O9 Ru3 -","- C128 H116 Cl6 N6 O18 Ru6 -","2","1","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.0339","0.0303","","","0.0864","0.0885","","","","","","1.048","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106109","43.312","0.005","20.595","0.002","40.698","0.004","90","","111.009","0.012","90","","33890","7","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C270 H250 Cl30 N24 O24 Ru12 -","- C260 H240 N24 O24 Ru12 -","- C1040 H960 N96 O96 Ru48 -","4","0.5","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.1857","0.126","","","0.2857","0.3008","","","","","","1.479","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106110","46.782","0.01","21.66","0.007","43.661","0.01","90","","113.095","0.012","90","","40696","19","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C302 H320 N24 O34 Ru12 -","- C291.992 H280 N24 O24 Ru12 -","- C1167.97 H1120 N96 O96 Ru48 -","4","0.5","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.1029","0.08","","","0.2125","0.2273","","","","","","1.057","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106111","25.854","0.003","18.338","0.003","35.306","0.005","90","","94.407","0.008","90","","16689","4","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C238 H292 F2 N28 O34 Ru12 -","- C238 H292 F2 N28 O34 Ru12 -","- C476 H584 F4 N56 O68 Ru24 -","2","0.5","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.1872","0.1109","","","0.2969","0.3457","","","","","","1.028","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106112","32.975","0.003","43.449","0.009","27.608","0.004","90","","90","","90","","39555","11","100","2","100","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C224 H248 Cl60 N28 O24 Ru12 -","- C214 H238 Cl30 N28 O24 Ru12 -","- C856 H952 Cl120 N112 O96 Ru48 -","4","0.5","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.1974","0.1557","","","0.3628","0.3772","","","","","","2.233","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106113","18.703","0.004","18.732","0.004","23.369","0.005","89.61","0.03","72.09","0.03","77.26","0.03","7582","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C123 H135 N15 O12 Ru6 -","- C123 H135 N15 O12 Ru6 -","- C246 H270 N30 O24 Ru12 -","2","1","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.1524","0.1307","","","0.339","0.3627","","","","","","1.305","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106114","20.034","0.003","20.034","0.003","91.487","0.018","90","","90","","120","","31800","9","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C124 H134 Cl12 N12 O14 Ru6 -","- C124.02 H130.02 Cl12.06 N12 O14 Ru6 -","- C744.12 H780.12 Cl72.36 N72 O84 Ru36 -","6","0.166667","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.187","0.1375","","","0.3449","0.3832","","","","","","1.278","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106115","20.279","0.004","20.279","0.004","62.756","0.005","90","","90","","120","","22350","6","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C109 H125 Cl21 N12 O14 Ru6 -","- C109 H121 Cl21 N12 O14 Ru6 -","- C654 H726 Cl126 N72 O84 Ru36 -","6","0.166667","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.0996","0.0617","","","0.1605","0.1949","","","","","","1.118","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106116","16.332","0.002","16.332","0.002","47.642","0.01","90","","90","","120","","11005","3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H88.5 F0.5 N6 O7 Ru3 -","- C84 H88.5 F0.51 N6 O7 Ru3 -","- C504 H531 F3.06 N36 O42 Ru18 -","6","0.333333","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.0725","0.0467","","","0.1052","0.119","","","","","","1.059","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106117","20.5269","0.0003","20.5269","0.0003","20.5269","0.0003","90","","90","","90","","8649.1","0.2","140","2","140","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C84 H83 F N6 O6 Ru3 -","- C84 H83.01 F0.99 N6 O6 Ru3 -","- C336 H332.04 F3.96 N24 O24 Ru12 -","4","0.333333","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.0987","0.0637","","","0.1438","0.1558","","","","","","0.996","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106118","16.4846","0.0012","7.6746","0.0005","13.0858","0.001","90","","112.595","0.009","90","","1528.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 F3 N3 O2 -","- C16 H12 F3 N3 O2 -","- C64 H48 F12 N12 O8 -","4","1","","Jun Zhou; Jianjun He; Binjie Wang; Weijun Yang; Hongjun Ren","1,7-Palladium Migration via C-H Activation, Followed by Intramolecular Amination: Regioselective Synthesis of Benzotriazoles","Journal of the American Chemical Society","2011","133","","6868","6870","10.1021/ja2007438","","","1.54184","CuKα","","0.0783","0.0477","","","0.1263","0.144","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106119","10.9639","0.0005","20.6081","0.001","21.6433","0.0013","90","","101.468","0.003","90","","4792.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","La2@C80(CClPh)","La2@C80(CClPh)","","- C93 H9 Cl3 La2 -","- C93 H9 Cl3 La2 -","- C372 H36 Cl12 La8 -","4","1","","Midori O. Ishitsuka; Shogo Sano; Haruka Enoki; Satoru Sato; Hidefumi Nikawa; Takahiro Tsuchiya; Zdenek Slanina; Naomi Mizorogi; Michael T. H. Liu; Takeshi Akasaka; Shigeru Nagase","Regioselective Bis-functionalization of Endohedral Dimetallofullerene, La2@C80: Extremal La-La Distance","Journal of the American Chemical Society","2011","133","","7128","7134","10.1021/ja200903q","","x-ray","0.9983","synchrotron","","0.1626","0.1299","","","0.3638","0.3825","","","","","","1.021","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106120","10.948","0.002","23.752","0.004","21.215","0.004","90","","96.123","0.007","90","","5485.2","1.7","120","","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","La2@C80(CClPh)(Ad)","","","- C104 H27 Cl La2 -","- C104 H27 Cl La2 -","- C416 H108 Cl4 La8 -","4","1","","Midori O. Ishitsuka; Shogo Sano; Haruka Enoki; Satoru Sato; Hidefumi Nikawa; Takahiro Tsuchiya; Zdenek Slanina; Naomi Mizorogi; Michael T. H. Liu; Takeshi Akasaka; Shigeru Nagase","Regioselective Bis-functionalization of Endohedral Dimetallofullerene, La2@C80: Extremal La-La Distance","Journal of the American Chemical Society","2011","133","","7128","7134","10.1021/ja200903q","","","0.71075","MoKα","","0.0987","0.0571","","","0.1203","0.1324","","","","","","1.03","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106121","8.5255","0.0002","10.0064","0.0002","28.4762","0.0005","90","","90","","90","","2429.29","0.09","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-Benzoic acid 4-(diethoxyphosphorylmethylene)-1- (toluene-4-sulfonyl)pyrrolidin-3-yl ester","","- C23 H28 N O7 P S -","- C23 H28 N O7 P S -","- C92 H112 N4 O28 P4 S4 -","4","1","","Kengo Masuda; Norifumi Sakiyama; Rie Tanaka; Keiichi Noguchi; Ken Tanaka","Rhodium-Catalyzed Enantioselective Cyclizations of γ-Alkynylaldehydes with Acyl Phosphonates: Ligand- and Substituent-Controlled C-P or C-H Bond Cleavage","Journal of the American Chemical Society","2011","133","","6918","6921","10.1021/ja201337x","","","1.54187","CuKα","","0.0442","0.0393","","","0.1066","0.1127","","","","","","0.993","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106122","6.6817","0.0005","14.4877","0.0009","14.9056","0.001","90","","90","","90","","1442.9","0.17","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H17 N5 O6 -","- C12 H17 N5 O6 -","- C48 H68 N20 O24 -","4","1","","Dongwon Shin; Yitzhak Tor","Bifacial Nucleoside as a Surrogate for Both T and A in Duplex DNA","Journal of the American Chemical Society","2011","133","","6926","6929","10.1021/ja201397e","","","1.54184","CuKα","","0.0346","0.0336","","","0.0926","0.0934","","","","","","1.085","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106123","16.5765","0.0004","16.5765","0.0004","19.2519","0.001","90","","90","","90","","5290","0.3","293","2","293","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- K20 Nb28 O120 Si2 -","- K20 Nb28 O120 Si2 -","- K40 Nb56 O240 Si4 -","2","0.125","","Zhenyu Zhang; Qipu Lin; Dharmalingam Kurunthu; Tao Wu; Fan Zuo; Shou-Tian Zheng; Christopher J. Bardeen; Xianhui Bu; Pingyun Feng","Synthesis and Photocatalytic Properties of a New Heteropolyoxoniobate Compound: K10[Nb2O2(H2O)2][SiNb12O40].12H2O","Journal of the American Chemical Society","2011","133","","6934","6937","10.1021/ja201670x","","","0.71073","MoKα","","0.0804","0.0723","","","0.1967","0.2025","","","","","","1.048","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106124","38.458","0.002","5.8962","0.0002","18.4814","0.0014","90","","114.828","0.009","90","","3803.4","0.5","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H19.5 Cl2 N O1.25 -","- C20 H19.5 Cl2 N O1.25 -","- C160 H156 Cl16 N8 O10 -","8","2","","Chu-Hung Wei; Subramaniyan Mannathan; Chien-Hong Cheng","Enantioselective Synthesis of β-Substituted Cyclic Ketones via Cobalt-Catalyzed Asymmetric Reductive Coupling of Alkynes with Alkenes","Journal of the American Chemical Society","2011","133","","6942","6944","10.1021/ja201827j","","","1.54178","CuKα","","0.0589","0.0452","","","0.1197","0.1286","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106125","21.1577","0.0003","21.1577","0.0003","17.4764","0.0002","90","","90","","120","","6775.16","0.16","133","2","133","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C18 H15 Rb -","- C18 H15 Rb -","- C324 H270 Rb18 -","18","1","","Sven Krieck; Robert Kretschmer; Helmar Görls; Matthias Westerhausen","Rubidium-Mediated Birch-Type Reduction of 1,2-Diphenylbenzene in Tetrahydrofuran","Journal of the American Chemical Society","2011","133","","6960","6963","10.1021/ja2018527","","","0.71073","MoKα","","0.0905","0.0595","","","0.152","0.1741","","","","","","1.113","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106126","15.577","0.003","9.8472","0.0016","17.36","0.003","90","","92.0403","0.0007","90","","2661.2","0.8","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound1","dibenzoborole","","- C30 H38 B N O -","- C30 H38 B N O -","- C120 H152 B4 N4 O4 -","4","1","","Azusa Iida; Shigehiro Yamaguchi","Thiophene-Fused Ladder Boroles with High Antiaromaticity","Journal of the American Chemical Society","2011","133","","6952","6955","10.1021/ja2019977","","","0.7107","MoKα","","0.0616","0.0507","","","0.1255","0.1333","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106127","10.698","0.004","11.602","0.004","14.185","0.005","101.036","0.003","106.603","0.003","105.435","0.003","1556.7","1","123","2","123","2","","","","","","","","5","P -1","-P 1","2","cmpd2","dithienoborole","","- C29 H43 B S2 Si2 -","- C29 H43 B S2 Si2 -","- C58 H86 B2 S4 Si4 -","2","1","","Azusa Iida; Shigehiro Yamaguchi","Thiophene-Fused Ladder Boroles with High Antiaromaticity","Journal of the American Chemical Society","2011","133","","6952","6955","10.1021/ja2019977","","","0.7107","MoKα","","0.0964","0.0569","","","0.1265","0.1472","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106128","12.58","0.003","14.116","0.004","16.02","0.004","71.525","0.013","77.197","0.015","76.333","0.012","2588.4","1.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","cmpd3","(benzothieno)(benzo)borole","","- C30.25 H31 B S -","- C30.25 H31 B S -","- C121 H124 B4 S4 -","4","2","","Azusa Iida; Shigehiro Yamaguchi","Thiophene-Fused Ladder Boroles with High Antiaromaticity","Journal of the American Chemical Society","2011","133","","6952","6955","10.1021/ja2019977","","","0.7107","MoKα","","0.1234","0.0769","","","0.1966","0.2308","","","","","","1.046","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106129","10.1867","0.0011","11.1461","0.0018","13.737","0.002","87.099","0.009","69.844","0.007","66.206","0.007","1332.6","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","cmpd4","bis(benzothieno)borole","","- C31 H31 B S2 -","- C31 H31 B S2 -","- C62 H62 B2 S4 -","2","1","","Azusa Iida; Shigehiro Yamaguchi","Thiophene-Fused Ladder Boroles with High Antiaromaticity","Journal of the American Chemical Society","2011","133","","6952","6955","10.1021/ja2019977","","","0.7107","MoKα","","0.0759","0.0491","","","0.1122","0.1263","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106130","5.6076","0.00013","9.3875","0.0002","12.8524","0.0003","70.347","0.002","89.0054","0.0019","83.0633","0.0019","632.3","0.03","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H14 Br F O -","- C14 H14 Br F O -","- C28 H28 Br2 F2 O2 -","2","2","","Jacobsen, Christian Borch; Nielsen, Martin; Worgull, Dennis; Zweifel, Theo; Fisker, Esben; Jørgensen, Karl Anker","Asymmetric Organocatalytic Monofluorovinylations","Journal of the American Chemical Society","2011","133","19","7398","7404","10.1021/ja110624k","","","0.71073","MoKα","","0.0411","0.0298","","","0.0967","0.1112","","","","","","0.826","","","","has coordinates","210880","2020-10-21","18:00:00",""
"4106131","10.4912","0.0004","12.2508","0.0005","13.7547","0.0005","90","","105.157","0.002","90","","1706.33","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H44 Cl2 N2 O Ru -","- C37 H44 Cl2 N2 O Ru -","- C74 H88 Cl4 N4 O2 Ru2 -","2","1","","Renee M. Thomas; Benjamin K. Keitz; Timothy M. Champagne; Robert H. Grubbs","Highly Selective Ruthenium Metathesis Catalysts for Ethenolysis","Journal of the American Chemical Society","2011","133","","7490","7496","10.1021/ja200246e","","","0.71073","MoKα","","0.0351","0.027","","","0.039","0.0399","","","","","","1.115","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106132","10.5474","0.0003","15.6796","0.0005","19.1646","0.0006","90","","90","","90","","3169.42","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 Cl2 N2 O Ru -","- C33 H42 Cl2 N2 O Ru -","- C132 H168 Cl8 N8 O4 Ru4 -","4","1","","Renee M. Thomas; Benjamin K. Keitz; Timothy M. Champagne; Robert H. Grubbs","Highly Selective Ruthenium Metathesis Catalysts for Ethenolysis","Journal of the American Chemical Society","2011","133","","7490","7496","10.1021/ja200246e","","","0.71073","MoKα","","0.0306","0.025","","","0.0341","0.0349","","","","","","1.069","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106133","14.7945","0.0006","14.7945","0.0006","14.7246","0.0004","90","","90","","120","","2791.1","0.18","173","2","173","2","","","","","","","synthesis as described","3","P 32","P 32","145","Compound 2","1,4-bis[3-methoxy-estra-1,3,5-(10)-trien-17α-ethynyl]phenylene","","- C48 H54 O4 -","- C48 H54 O4 -","- C144 H162 O12 -","3","1","","Braulio Rodríguez-Molina; Norberto Farfán; Margarita Romero; J. Manuel Méndez-Stivalet; Rosa Santillan; Miguel A. Garcia-Garibay","Anisochronous Dynamics in a Crystalline Array of Steroidal Molecular Rotors: Evidence of Correlated Motion within 1D Helical Domains","Journal of the American Chemical Society","2011","133","","7280","7283","10.1021/ja2006274","","x-ray","0.71073","MoKα","","0.0875","0.0512","","","0.0818","0.0925","","","","","","0.981","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106134","14.873","0.002","14.873","0.002","14.794","0.003","90","","90","","120","","2834.1","0.8","293","2","293","2","","","","","","","synthesis as described","3","P 32","P 32","145","Compound 2","1,4-bis[3-methoxy-estra-1,3,5-(10)-trien-17α-ethynyl]phenylene","","- C48 H54 O4 -","- C48 H54 O4 -","- C144 H162 O12 -","3","1","","Braulio Rodríguez-Molina; Norberto Farfán; Margarita Romero; J. Manuel Méndez-Stivalet; Rosa Santillan","Anisochronous Dynamics in a Crystalline Array of Steroidal Molecular Rotors: Evidence of Correlated Motion within 1D Helical Domains","Journal of the American Chemical Society","2011","133","","7280","7283","10.1021/ja2006274","","x-ray","0.71073","MoKα","","0.0977","0.0523","","","0.1041","0.1177","","","","","","0.942","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106135","12.7395","0.0004","5.5981","0.0002","32.0262","0.0011","90","","96.383","0.001","90","","2269.85","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O3 S -","- C27 H25 N O3 S -","- C108 H100 N4 O12 S4 -","4","1","","Jian-Jun Feng; Junliang Zhang","An Atom-Economic Synthesis of Bicyclo[3.1.0]hexanes by Rhodium N-Heterocyclic Carbene-Catalyzed Diastereoselective Tandem Hetero-[5 + 2] Cycloaddition/Claisen Rearrangement Reaction of Vinylic Oxiranes with Alkynes","Journal of the American Chemical Society","2011","133","","7304","7307","10.1021/ja2014604","","","0.71073","MoKα","","0.0606","0.0416","","","0.0984","0.1097","","","","","","1.027","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106136","20.3479","0.0019","11.3637","0.001","40.329","0.004","90","","99.347","0.002","90","","9201.4","1.5","223.1","","223","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45.5 H42 Cl2 F6 Ir N2 P3 -","- C45.5 H41.5 Cl2 F6 Ir N2 P3 -","- C364 H332 Cl16 F48 Ir8 N16 P24 -","8","2","","Graham E. Dobereiner; Ainara Nova; Nathan D. Schley; Nilay Hazari; Scott J. Miller; Odile Eisenstein; Robert H. Crabtree","Iridium-Catalyzed Hydrogenation of N-Heterocyclic Compounds under Mild Conditions by an Outer-Sphere Pathway","Journal of the American Chemical Society","2011","133","","7547","7562","10.1021/ja2014983","","","0.71075","MoKα","","","0.0776","","","","0.1553","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106137","10.95","0.004","18.517","0.007","21.354","0.007","90","","90","","90","","4330","3","223.1","","223","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H42 F6 Ir N2 P3 -","- C45 H40 F6 Ir N2 P3 -","- C180 H160 F24 Ir4 N8 P12 -","4","1","","Graham E. Dobereiner; Ainara Nova; Nathan D. Schley; Nilay Hazari; Scott J. Miller; Odile Eisenstein; Robert H. Crabtree","Iridium-Catalyzed Hydrogenation of N-Heterocyclic Compounds under Mild Conditions by an Outer-Sphere Pathway","Journal of the American Chemical Society","2011","133","","7547","7562","10.1021/ja2014983","","","0.71075","MoKα","","","0.069","","","","0.104","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106138","36.914","0.003","36.914","0.003","7.7817","0.0006","90","","90","","120","","9183.1","1.3","223.1","","223","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H24.5 I Ir N2 O0.25 -","- C17 H22 I Ir N2 -","- C306 H396 I18 Ir18 N36 -","18","1","","Graham E. Dobereiner; Ainara Nova; Nathan D. Schley; Nilay Hazari; Scott J. Miller; Odile Eisenstein; Robert H. Crabtree","Iridium-Catalyzed Hydrogenation of N-Heterocyclic Compounds under Mild Conditions by an Outer-Sphere Pathway","Journal of the American Chemical Society","2011","133","","7547","7562","10.1021/ja2014983","","","0.71075","MoKα","","","0.029","","","","0.0545","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106139","9.8963","0.0011","23.617","0.003","14.7431","0.0016","90","","102.965","0.003","90","","3357.9","0.7","223","","223","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 F6 Ir N2 P2 -","- C35 H37 F6 Ir N2 P2 -","- C140 H148 F24 Ir4 N8 P8 -","4","1","","Graham E. Dobereiner; Ainara Nova; Nathan D. Schley; Nilay Hazari; Scott J. Miller; Odile Eisenstein; Robert H. Crabtree","Iridium-Catalyzed Hydrogenation of N-Heterocyclic Compounds under Mild Conditions by an Outer-Sphere Pathway","Journal of the American Chemical Society","2011","133","","7547","7562","10.1021/ja2014983","","","0.71075","MoKα","","","0.0541","","","","0.0918","","","","","","1.133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106140","14.4995","0.0007","17.405","0.0011","21.6522","0.0012","90","","90","","90","","5464.2","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61 H72 Mg2 N8 O2 -","- C61 H72 Mg2 N8 O2 -","- C244 H288 Mg8 N32 O8 -","4","1","","James W. Leeland; Fraser J. White; Jason B. Love","Encapsulation of a Magnesium Hydroxide Cubane by a Bowl-Shaped Polypyrrolic Schiff Base Macrocycle","Journal of the American Chemical Society","2011","133","","7320","7323","10.1021/ja201630b","","","0.71073","MoKα","","0.0692","0.0477","","","0.0906","0.1001","","","","","","1.018","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106141","22.02","0.0007","20.7992","0.0009","23.3115","0.001","90","","90","","90","","10676.6","0.7","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H68 Mg2 N8 O4 -","- C46 H56 Mg2 N8 O4 -","- C368 H448 Mg16 N64 O32 -","8","1","","James W. Leeland; Fraser J. White; Jason B. Love","Encapsulation of a Magnesium Hydroxide Cubane by a Bowl-Shaped Polypyrrolic Schiff Base Macrocycle","Journal of the American Chemical Society","2011","133","","7320","7323","10.1021/ja201630b","","","0.71073","MoKα","","0.141","0.0855","","","0.2449","0.2739","","","","","","1.025","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106142","9.4386","0.0008","12.6588","0.001","20.9666","0.0018","81.3678","0.0013","77.0299","0.0013","70.7556","0.0013","2296.9","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 F4 N2 Pd -","- C25 H28 F4 N2 Pd -","- C100 H112 F16 N8 Pd4 -","4","2","","Nicholas D. Ball; J. Brannon Gary; Yingda Ye; Melanie S. Sanford","Mechanistic and Computational Studies of Oxidatively-Induced Aryl-CF3 Bond-Formation at Pd: Rational Design of Room Temperature Aryl Trifluoromethylation","Journal of the American Chemical Society","2011","133","","7577","7584","10.1021/ja201726q","","","0.71073","MoKα","","0.058","0.0441","","","0.105","0.1126","","","","","","1.034","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106143","21.1093","0.0017","11.8779","0.001","26.872","0.002","90","","101.162","0.001","90","","6610.3","0.9","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H112 N2 Si12 -","- C46 H112 N2 Si12 -","- C184 H448 N8 Si48 -","4","1","","Torahiko Yamaguchi; Akira Sekiguchi","Unusual Reactivity of a Disilyne with 4-Dimethylaminopyridine: Formation of an Intramolecularly N-Coordinated Silylene and Its Isomerization to a Zwitterionic Silyl Anion","Journal of the American Chemical Society","2011","133","","7352","7354","10.1021/ja202605x","","","0.71073","MoKα","","0.0903","0.0481","","","0.1082","0.1245","","","","","","1.005","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106144","10.0624","0.0014","10.0624","0.0014","8.8361","0.0018","90","","90","","120","","774.8","0.2","293","2","293","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- B6 Cl K3 O10 -","- B6 Cl K3 O10 -","- B18 Cl3 K9 O30 -","3","0.166667","","Hongping Wu; Shilie Pan; Kenneth R. Poeppelmeier; Hongyi Li; Dianzeng Jia; Zhaohui Chen; Xiaoyun Fan; Yun Yang; James M. Rondinelli; Haosu Luo","K3B6O10Cl: A New Structure Analogous to Perovskite with a Large Second Harmonic Generation Response and Deep UV Absorption Edge","Journal of the American Chemical Society","2011","133","","7786","7790","10.1021/ja111083x","","","0.71073","MoKα","","0.0143","0.0138","","","0.032","0.0323","","","","","","1.188","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106145","9.7847","0.0008","10.3851","0.0009","16.1374","0.0015","90","","106.838","0.003","90","","1569.5","0.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O2 S -","- C17 H21 N O2 S -","- C68 H84 N4 O8 S4 -","4","1","","Moisés Gulías; Alba Collado; Beatriz Trillo; Fernando López; Enrique Oñate; Miguel A. Esteruelas; José L. Mascareñas","Ruthenium-Catalyzed (2 + 2) Intramolecular Cycloaddition of Allenenes","Journal of the American Chemical Society","2011","133","","7660","7663","10.1021/ja200784n","","x-ray","0.7107","MoKα","","0.0834","0.055","","","0.1081","0.1214","","","","","","1.049","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106146","13.2099","0.0005","8.1963","0.0004","15.3135","0.0006","90","","108.232","0.003","90","","1574.79","0.12","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","LM1MG50B","","","- C17 H21 N O2 S -","- C17 H21 N O2 S -","- C68 H84 N4 O8 S4 -","4","1","","Moisés Gulías; Alba Collado; Beatriz Trillo; Fernando López; Enrique Oñate; Miguel A. Esteruelas; José L. Mascareñas","Ruthenium-Catalyzed (2 + 2) Intramolecular Cycloaddition of Allenenes","Journal of the American Chemical Society","2011","133","","7660","7663","10.1021/ja200784n","","x-ray","0.71073","MoKα","","0.0988","0.0556","","","0.1114","0.1306","","","","","","1.029","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106147","9.6615","0.0005","10.1911","0.0006","16.0319","0.0009","90","","104.37","0.002","90","","1529.14","0.15","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C64 H84 N4 O8 S4 -","4","1","","Moisés Gulías; Alba Collado; Beatriz Trillo; Fernando López; Enrique Oñate; Miguel A. Esteruelas; José L. Mascareñas","Ruthenium-Catalyzed (2 + 2) Intramolecular Cycloaddition of Allenenes","Journal of the American Chemical Society","2011","133","","7660","7663","10.1021/ja200784n","","x-ray","0.7107","MoKα","","0.052","0.0413","","","0.1021","0.1085","","","","","","1.033","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106148","8.2812","0.0013","17.169","0.003","18.399","0.003","62.678","0.002","89.739","0.002","86.387","0.003","2318.6","0.7","176","2","176","2","","","","","","","","6","P -1","-P 1","2","o-phen(1,2-HOPO)2 uranyl complex","","","- C20.13 H18.5 N4 O9.13 S U -","- C20.125 H18.5 N4 O9.125 S U -","- C80.5 H74 N16 O36.5 S4 U4 -","4","2","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0654","0.0423","","","0.103","0.1116","","","","","","1.013","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106149","9.7996","0.0014","17.047","0.002","19.03","0.003","102.075","0.002","95.478","0.003","91.56","0.003","3090.9","0.8","154","2","154","2","","","","","","","","6","P -1","-P 1","2","TAM(ophen-1,2-HOPO)2, uranly complex","","","- C58.7 H83.7 N8 O21.85 S0.15 U -","- C58.692 H60 N8 O21.846 S0.154 U -","- C117.384 H120 N16 O43.692 S0.308 U2 -","2","1","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0753","0.0538","","","0.1268","0.1364","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106150","17.625","0.004","23.731","0.005","26.021","0.005","90","","90","","90","","10884","4","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","TAM(ophen12HOPO)2 uranyl complex","","","- C50 H66 N8 O17 S U -","- C50 H66 N8 O17 S U -","- C400 H528 N64 O136 S8 U8 -","8","1","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0623","0.0331","","","0.0752","0.0842","","","","","","1.214","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106151","9.26","0.0015","13.259","0.002","23.405","0.004","79.417","0.002","86.227","0.002","88.558","0.002","2818.4","0.8","163","2","163","2","","","","","","","","5","P -1","-P 1","2","TAM(ophen-1,2-HOPO)2, uranyl complex","","","- C53 H78 N8 O22 U -","- C40 H48 N8 O14 U -","- C80 H96 N16 O28 U2 -","2","1","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0723","0.0479","","","0.1047","0.1106","","","","","","0.94","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106152","9.6429","0.0014","13.33","0.002","18.927","0.004","110.241","0.003","102.292","0.003","93.606","0.002","2205.4","0.7","135","2","135","2","","","","","","","","6","P -1","-P 1","2","TAM(o-phen-1,2-HOPO)2, uranyl complex","","","- C42 H50 N8 O13 S U -","- C42 H50 N8 O13 S U -","- C84 H100 N16 O26 S2 U2 -","2","1","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0759","0.0486","","","0.1123","0.1263","","","","","","1.017","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106153","17.686","0.003","17.686","0.003","14.605","0.003","90","","90","","90","","4568.4","1.4","144","2","144","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","TAM(en-3,2-HOPO)2 uranyl complex","","","- C40 H60 N8 O14 U -","- C40 H60 N8 O14 U -","- C160 H240 N32 O56 U4 -","4","0.5","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0395","0.0298","","","0.0616","0.0638","","","","","","1.032","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106154","16.97","0.002","12.5873","0.0018","22.161","0.003","90","","108.948","0.002","90","","4477.2","1","152","2","152","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","TAM(o-phen-3,2-HOPO)2 uranyl complex","","","- C44 H56 N8 O14 U -","- C44 H56 N8 O14 U -","- C176 H224 N32 O56 U4 -","4","0.5","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0302","0.0253","","","0.0571","0.058","","","","","","1.057","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106155","13.2979","0.001","32.381","0.002","7.3838","0.0006","90","","90","","90","","3179.5","0.4","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C31 H43 N O8 -","- C31 H41 N O8 -","- C124 H164 N4 O32 -","4","1","","Jun Shi; Georg Manolikakes; Chien-Hung Yeh; Carlos A. Guerrero; Ryan A. Shenvi; Hiroki Shigehisa; Phil S. Baran","Scalable Synthesis of Cortistatin A and Related Structures","Journal of the American Chemical Society","2011","133","","8014","8027","10.1021/ja202103e","","","1.54178","CuKα","","0.1067","0.0918","","","0.1943","0.2094","","","","","","1.151","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106156","12.015","0.002","12.534","0.002","16.724","0.003","90","","90","","90","","2518.6","0.7","205","2","205","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Ryan","","","- C26 H39 N O7 -","- C26 H39 N O7 -","- C104 H156 N4 O28 -","4","1","","Jun Shi; Georg Manolikakes; Chien-Hung Yeh; Carlos A. Guerrero; Ryan A. Shenvi; Hiroki Shigehisa; Phil S. Baran","Scalable Synthesis of Cortistatin A and Related Structures","Journal of the American Chemical Society","2011","133","","8014","8027","10.1021/ja202103e","","","0.71073","MoKα","","0.1123","0.0997","","","0.2211","0.2278","","","","","","1.257","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106157","33.877","0.002","7.2517","0.0005","9.6664","0.0006","90","","92.05","0.001","90","","2373.2","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H29 N O7 -","- C23 H29 N O7 -","- C92 H116 N4 O28 -","4","1","","Jun Shi; Georg Manolikakes; Chien-Hung Yeh; Carlos A. Guerrero; Ryan A. Shenvi; Hiroki Shigehisa; Phil S. Baran","Scalable Synthesis of Cortistatin A and Related Structures","Journal of the American Chemical Society","2011","133","","8014","8027","10.1021/ja202103e","","","0.71073","MoKα","","0.041","0.039","","","0.0997","0.1011","","","","","","1.059","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106158","50.5101","0.0015","13.0198","0.0002","30.8241","0.001","90","","123.84","0.004","90","","16836.9","1.1","183","2","183","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","Bis[(μ~2~-deuterido)-bromo-(9,9-dimethyl-4,5-bis(diphenylphosphino)-9-\ silaxanthene-P,P')-nitrosyl-rhenium(I)] benzene dichloromethane solvate","","- C318 H278 Br8 Cl16 D8 N8 O16 P16 Re8 Si8 -","- C318 H278 Br8 Cl16 D8 N8 O16 P16 Re8 Si8 -","- C636 H556 Br16 Cl32 D16 N16 O32 P32 Re16 Si16 -","2","0.25","","Balz Dudle; Kunjanpillai Rajesh; Olivier Blacque; Heinz Berke","Rhenium in Homogeneous Catalysis: [ReBrH(NO)(labile ligand)(large-bite-angle diphosphine)] Complexes as Highly Active Catalysts in Olefin Hydrogenations","Journal of the American Chemical Society","2011","133","","8168","8178","10.1021/ja107245k","","","0.71073","MoKα","","0.088","0.0487","","","0.1431","0.1517","","","","","","0.941","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106159","19.7393","0.0003","9.2862","0.0001","19.8067","0.0003","90","","108.782","0.002","90","","3437.3","0.09","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bromo-(η^2^-ethylene)-hydrido-(10,11-dihydro-4,5-bis(diphenylphosphino)dibenzo[b,f]oxepine)-nitrosyl-rhenium(I)","","- C40 H35 Br N O2 P2 Re -","- C40 H35 Br N O2 P2 Re -","- C160 H140 Br4 N4 O8 P8 Re4 -","4","1","","Balz Dudle; Kunjanpillai Rajesh; Olivier Blacque; Heinz Berke","Rhenium in Homogeneous Catalysis: [ReBrH(NO)(labile ligand)(large-bite-angle diphosphine)] Complexes as Highly Active Catalysts in Olefin Hydrogenations","Journal of the American Chemical Society","2011","133","","8168","8178","10.1021/ja107245k","","","0.71073","MoKα","","0.0432","0.0274","","","0.0538","0.0554","","","","","","0.934","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106160","18.0902","0.0001","9.6663","0.0001","20.1922","0.0002","90","","93.795","0.001","90","","3523.17","0.05","183","2","183","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bromo-(η^2^-ethylene)-(9,9-dimethyl-4,5-(diphenylphosphino)(diphenyl-o-phenylene-phosphino)-9-silaxanthene-P,P')-nitrosyl-rhenium(I)","","- C40 H35 Br N O2 P2 Re Si -","- C40 H35 Br N O2 P2 Re Si -","- C160 H140 Br4 N4 O8 P8 Re4 Si4 -","4","1","","Balz Dudle; Kunjanpillai Rajesh; Olivier Blacque; Heinz Berke","Rhenium in Homogeneous Catalysis: [ReBrH(NO)(labile ligand)(large-bite-angle diphosphine)] Complexes as Highly Active Catalysts in Olefin Hydrogenations","Journal of the American Chemical Society","2011","133","","8168","8178","10.1021/ja107245k","","","0.71073","MoKα","","0.0333","0.0226","","","0.0449","0.046","","","","","","0.946","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106161","9.8141","0.0001","15.7671","0.0002","23.1408","0.0003","90","","93.946","0.001","90","","3572.32","0.07","183","2","183","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Bromo-(η2-ethylene)-(9,9-dimethyl-4,5-(diphenylphosphino)(diphenyl-o-phenylene-phosphino)-9-silaxanthene-P,P')-nitrosyl-rhenium(I)","","- C40 H35 Br N O2 P2 Re Si -","- C40 H35 Br N O2 P2 Re Si -","- C160 H140 Br4 N4 O8 P8 Re4 Si4 -","4","1","","Balz Dudle; Kunjanpillai Rajesh; Olivier Blacque; Heinz Berke","Rhenium in Homogeneous Catalysis: [ReBrH(NO)(labile ligand)(large-bite-angle diphosphine)] Complexes as Highly Active Catalysts in Olefin Hydrogenations","Journal of the American Chemical Society","2011","133","","8168","8178","10.1021/ja107245k","","","0.71073","MoKα","","0.0475","0.0295","","","0.0665","0.0689","","","","","","0.985","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106162","12.1375","0.0002","14.889","0.0002","17.783","0.0002","90","","98.118","0.001","90","","3181.46","0.08","183","2","183","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bis[(μ~2~-hydrido)-bromo-(1,1'-bis(diisopropylphosphino)ferrocene-P,P')-nitrosyl-rhenium(I) benzene solvate","","- C62 H92 Br2 Fe2 N2 O2 P4 Re2 -","- C62 H92 Br2 Fe2 N2 O2 P4 Re2 -","- C124 H184 Br4 Fe4 N4 O4 P8 Re4 -","2","0.5","","Balz Dudle; Kunjanpillai Rajesh; Olivier Blacque; Heinz Berke","Rhenium in Homogeneous Catalysis: [ReBrH(NO)(labile ligand)(large-bite-angle diphosphine)] Complexes as Highly Active Catalysts in Olefin Hydrogenations","Journal of the American Chemical Society","2011","133","","8168","8178","10.1021/ja107245k","","","0.71073","MoKα","","0.046","0.0395","","","0.117","0.1185","","","","","","1.183","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106163","9.6581","0.0003","11.809","0.0005","12.4453","0.0005","86.483","0.001","88.47","0.001","76.059","0.001","1374.91","0.09","273.2","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 N4 O6 Ru2 -","- C26 H30 N4 O6 Ru2 -","- C52 H60 N8 O12 Ru4 -","2","1","","Nao Hasegawa; Valentine Charra; Satoshi Inoue; Yoshiya Fukumoto; Naoto Chatani","Highly Regioselective Carbonylation of Unactivated C(sp3)-H Bonds by Ruthenium Carbonyl","Journal of the American Chemical Society","2011","133","","8070","8073","10.1021/ja2001709","","","0.7107","MoKα","","","0.0427","","","","0.1277","","","","","","1.527","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106164","12.9197","0.0003","12.9197","0.0003","9.8491","0.0004","90","","90","","90","","1644","0.09","293","2","120","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C20.4 Co4 F O24.04 P6 -","- C20.4 Co4 F O24.04 P6 -","- C40.8 Co8 F2 O48.08 P12 -","2","0.25","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.103","0.0664","","","0.1548","0.1796","","","","","","0.986","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106165","9.346","0.0003","8.0993","0.0004","9.31","0.0005","90","","99.565","0.003","90","","694.93","0.06","293","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Co3 F4 H8 N2 O12 P4 -","- Co3 F4 H8 N2 O12 P4 -","- Co6 F8 H16 N4 O24 P8 -","2","0.5","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.0717","0.054","","","0.104","0.1134","","","","","","1.097","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106166","7.1286","0.0005","14.455","0.0009","7.5552","0.0004","90","","106.741","0.004","90","","745.52","0.08","293","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- F9 Fe4 H12 N3 O8 P2 -","- F9 Fe4 H9 N3 O8 P2 -","- F18 Fe8 H18 N6 O16 P4 -","2","0.5","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.1778","0.107","","","0.1879","0.2258","","","","","","1.118","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106167","12.953","0.0005","10.6466","0.0003","6.4469","0.0003","90","","90","","90","","889.06","0.06","293","2","120","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C H6 F Fe N O4 P -","- C F Fe N0.65 O4 P -","- C8 F8 Fe8 N5.2 O32 P8 -","8","1","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.0868","0.0789","","","0.1764","0.1795","","","","","","1.397","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106168","5.3999","0.0002","13.1644","0.0006","7.4117","0.0003","90","","107.501","0.003","90","","502.48","0.04","293","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F3 H4 Mn N O3 P -","- F3 H4 Mn N O3 P -","- F12 H16 Mn4 N4 O12 P4 -","4","1","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.0344","0.0294","","","0.0737","0.0782","","","","","","0.928","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106169","7.7805","0.0008","8.0834","0.001","8.1265","0.0007","90","","97.343","0.007","90","","506.91","0.09","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- F6 Mn2 Na4 O7 P2 -","- F6 Mn2 Na4 O7 P2 -","- F12 Mn4 Na8 O14 P4 -","2","0.5","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.1053","0.0641","","","","0.1353","","","","","","1.063","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106170","7.8246","0.0007","9.494","0.0008","9.1169","0.0008","90","","94.87","0.005","90","","674.82","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cu3 F4 H8 N2 O12 P4 -","- Cu3 F4 H8 N2 O12 P4 -","- Cu6 F8 H16 N4 O24 P8 -","2","0.5","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.0781","0.0553","","","0.1041","0.1152","","","","","","1.104","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106171","7.7491","0.0004","9.4344","0.0005","9.2186","0.0004","90","","95.186","0.004","90","","671.2","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cu3 F4 O12 P4 Rb2 -","- Cu3 F4 O12 P4 Rb2 -","- Cu6 F8 O24 P8 Rb4 -","2","0.5","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.143","0.0911","","","0.1628","0.1904","","","","","","1.111","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106172","18.972","0.0007","7.4973","0.0004","7.7663","0.0003","90","","103.629","0.002","90","","1073.56","0.08","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cu3 F6 K O8 P3 -","- Cu3 F6 K O8 P3 -","- Cu12 F24 K4 O32 P12 -","4","0.5","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.0631","0.0469","","","0.0935","0.1014","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106173","19.0898","0.0005","7.5722","0.0003","7.8191","0.0002","90","","103.683","0.002","90","","1098.19","0.06","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cu3 F6 O8 P3 Rb -","- Cu3 F6 O8 P3 Rb -","- Cu12 F24 O32 P12 Rb4 -","4","0.5","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.0311","0.0272","","","0.0709","0.0756","","","","","","0.639","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106174","9.9678","0.0003","22.5433","0.0007","20.4289","0.0006","90","","101.644","0.0017","90","","4496.1","0.2","123.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H17 Cl3 -","- C154 H36 Cl12 -","- C308 H72 Cl24 -","2","0.5","","Ying Zhang; Yutaka Matsuo; Chang-Zhi Li; Hideyuki Tanaka; Eiichi Nakamura","A Scalable Synthesis of Methano[60]fullerene and Congeners by the Oxidative Cyclopropanation Reaction of Silylmethylfullerene","Journal of the American Chemical Society","2011","133","","8086","8089","10.1021/ja201267t","","","1.54187","CuKα","","","0.1618","","","","0.4554","","","","","","2.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106175","9.8789","0.0003","16.4178","0.0005","24.5759","0.0007","90","","100.117","0.0018","90","","3924","0.2","123.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C75 H14 S2 -","- C150 H28 S4 -","- C300 H56 S8 -","2","0.5","","Ying Zhang; Yutaka Matsuo; Chang-Zhi Li; Hideyuki Tanaka; Eiichi Nakamura","A Scalable Synthesis of Methano[60]fullerene and Congeners by the Oxidative Cyclopropanation Reaction of Silylmethylfullerene","Journal of the American Chemical Society","2011","133","","8086","8089","10.1021/ja201267t","","","1.54187","CuKα","","","0.0952","","","","0.304","","","","","","0.961","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106176","15.726","0.006","15.726","0.006","24.027","0.01","90","","90","","120","","5146","4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","[HL]2Fe6, 6C6H6","","","- C82 H80 Fe6 N12 -","- C82 H79.98 Fe6 N12 -","- C246 H239.94 Fe18 N36 -","3","0.166667","","Qinliang Zhao; T. David Harris; Theodore A. Betley","[(HL)2Fe6(NCMe)m]n+ (m = 0, 2, 4, 6; n= -1, 0, 1, 2, 3, 4, 6): An Electron-Transfer Series Featuring Octahedral Fe6 Clusters Supported by a Hexaamide Ligand Platform","Journal of the American Chemical Society","2011","133","","8293","8306","10.1021/ja2015845","","","0.71073","MoKα","","0.103","0.0558","","","0.1171","0.1387","","","","","","1.02","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106177","10.207","0.004","11.848","0.004","12.43","0.005","95.754","0.006","93.572","0.006","109.697","0.005","1400.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Na(Et2O)2(NCMe)2][(HL)2Fe6]","","","- C58 H74 Fe6 N14 Na O2 -","- C58 H74 Fe6 N14 Na O2 -","- C58 H74 Fe6 N14 Na O2 -","1","0.5","","Qinliang Zhao; T. David Harris; Theodore A. Betley","[(HL)2Fe6(NCMe)m]n+ (m = 0, 2, 4, 6; n= -1, 0, 1, 2, 3, 4, 6): An Electron-Transfer Series Featuring Octahedral Fe6 Clusters Supported by a Hexaamide Ligand Platform","Journal of the American Chemical Society","2011","133","","8293","8306","10.1021/ja2015845","","","0.71073","MoKα","","0.0829","0.0486","","","0.1027","0.1159","","","","","","1.035","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106178","10.089","0.007","11.036","0.008","25.286","0.018","90","","98.095","0.015","90","","2787","3","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","[(HL)2Fe6(NCMe)2]PF6","","","- C54 H60 F6 Fe6 N16 P -","- C54 H60 F6 Fe6 N16 P -","- C108 H120 F12 Fe12 N32 P2 -","2","0.5","","Qinliang Zhao; T. David Harris; Theodore A. Betley","[(HL)2Fe6(NCMe)m]n+ (m = 0, 2, 4, 6; n= -1, 0, 1, 2, 3, 4, 6): An Electron-Transfer Series Featuring Octahedral Fe6 Clusters Supported by a Hexaamide Ligand Platform","Journal of the American Chemical Society","2011","133","","8293","8306","10.1021/ja2015845","","","0.71073","MoKα","","0.1558","0.0932","","","0.2412","0.2792","","","","","","1.102","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106179","22.5059","0.0009","16.189","0.0006","18.8404","0.0006","90","","94.854","0.002","90","","6839.8","0.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[(HL)2Fe6(NCMe)4][PF6]2","","","- C62 H76 F12 Fe6 N16 O2 P2 -","- C62 H76 F12 Fe6 N16 O2 P2 -","- C248 H304 F48 Fe24 N64 O8 P8 -","4","0.5","","Qinliang Zhao; T. David Harris; Theodore A. Betley","[(HL)2Fe6(NCMe)m]n+ (m = 0, 2, 4, 6; n= -1, 0, 1, 2, 3, 4, 6): An Electron-Transfer Series Featuring Octahedral Fe6 Clusters Supported by a Hexaamide Ligand Platform","Journal of the American Chemical Society","2011","133","","8293","8306","10.1021/ja2015845","","","0.71073","MoKα","","0.0867","0.066","","","0.1593","0.1706","","","","","","1.093","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106180","13.01","0.006","16.993","0.007","17.914","0.008","90","","92.74","0.03","90","","3956","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(HL)2Fe6(NCMe)6][PF6]3","","","- C66 H78 F18 Fe6 N20 O P3 -","- C66 H78 F18 Fe6 N20 O P3 -","- C132 H156 F36 Fe12 N40 O2 P6 -","2","0.5","","Qinliang Zhao; T. David Harris; Theodore A. Betley","[(HL)2Fe6(NCMe)m]n+ (m = 0, 2, 4, 6; n= -1, 0, 1, 2, 3, 4, 6): An Electron-Transfer Series Featuring Octahedral Fe6 Clusters Supported by a Hexaamide Ligand Platform","Journal of the American Chemical Society","2011","133","","8293","8306","10.1021/ja2015845","","","0.71073","MoKα","","0.1452","0.0765","","","0.1967","0.2512","","","","","","1.102","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106181","24.607","0.004","15.053","0.003","21.417","0.004","90","","110.316","0.003","90","","7440","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(HL)2Fe6(NCMe)6][PF6]4","","","- C62 H72 F24 Fe6 N20 P4 -","- C62 H72 F24 Fe6 N20 P4 -","- C248 H288 F96 Fe24 N80 P16 -","4","0.5","","Qinliang Zhao; T. David Harris; Theodore A. Betley","[(HL)2Fe6(NCMe)m]n+ (m = 0, 2, 4, 6; n= -1, 0, 1, 2, 3, 4, 6): An Electron-Transfer Series Featuring Octahedral Fe6 Clusters Supported by a Hexaamide Ligand Platform","Journal of the American Chemical Society","2011","133","","8293","8306","10.1021/ja2015845","","","0.71073","MoKα","","0.0625","0.0413","","","0.1002","0.1121","","","","","","1.031","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106182","8.7877","0.0004","18.0777","0.0011","9.095","0.0005","90","","94.787","0.004","90","","1439.8","0.14","100","","100","","","","","","","","methanol","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Cl2 Cu N -","- C15 H14 Cl2 Cu N -","- C60 H56 Cl8 Cu4 N4 -","4","1","","Ester Böeß; Devarajulu Sureshkumar; Abhishek Sud; Cornelia Wirtz; Christophe Farès; Martin Klußmann","Mechanistic Studies on a Cu-Catalyzed Aerobic Oxidative Coupling Reaction with N-Phenyl Tetrahydroisoquinoline: Structure of Intermediates and the Role of Methanol As a Solvent","Journal of the American Chemical Society","2011","133","","8106","8109","10.1021/ja201610c","","","0.71073","MoKα","","0.0521","0.0345","","","0.1049","0.1259","","","","","","0.919","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106183","10.0417","0.0012","10.888","0.002","13.8614","0.0017","90","","94.803","0.009","90","","1510.2","0.4","100","","100","","","","","","","","methanole","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Br2 Cu N -","- C15 H14 Br2 Cu N -","- C60 H56 Br8 Cu4 N4 -","4","1","","Ester Böeß; Devarajulu Sureshkumar; Abhishek Sud; Cornelia Wirtz; Christophe Farès; Martin Klußmann","Mechanistic Studies on a Cu-Catalyzed Aerobic Oxidative Coupling Reaction with N-Phenyl Tetrahydroisoquinoline: Structure of Intermediates and the Role of Methanol As a Solvent","Journal of the American Chemical Society","2011","133","","8106","8109","10.1021/ja201610c","","","0.71073","MoKα","","0.1294","0.0631","","","0.107","0.1284","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106184","13.7224","0.0006","17.4566","0.0008","20.4323","0.0009","112.125","0.002","103.554","0.002","96.384","0.003","4298.3","0.3","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C79 H49 B F24 Fe2 N O4 P2 S2 -","- C79 H49 B F24 Fe2 N O4 P2 S2 -","- C158 H98 B2 F48 Fe4 N2 O8 P4 S4 -","2","1","","James M. Camara; Thomas B. Rauchfuss","Mild Redox Complementation Enables H2 Activation by [FeFe]-Hydrogenase Models","Journal of the American Chemical Society","2011","133","","8098","8101","10.1021/ja201731q","","","0.71073","MoKα","","0.0636","0.0427","","","0.0998","0.1068","","","","","","1.029","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106185","18.5892","0.0003","18.5892","0.0003","5.4184","0.0012","90","","90","","120","","1621.5","0.4","293","2","293","2","","","","","","","","3","P -3","-P 3","147","1,6-bis-(4-hydroxyphenyl)-3-hexen-1,5-diyne","","","- C24 H24 O2 -","- C24 H24 O2 -","- C72 H72 O6 -","3","0.5","","Ana Pérez; José Luis Serrano; Teresa Sierra; Alfredo Ballesteros; Diana de Saá; José Barluenga","Control of Self-Assembly of a 3-Hexen-1,5-diyne Derivative: Toward Soft Materials with an Aggregation-Induced Enhancement in Emission","Journal of the American Chemical Society","2011","133","","8110","8113","10.1021/ja2018898","","","1.54184","CuKα","","0.0984","0.07","","","0.2007","0.2357","","","","","","0.925","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106186","12.8443","0.0011","16.7085","0.0015","24.735","0.002","90","","104.723","0.002","90","","5134.1","0.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Cl2 F24 N4 O8 P4 Rh2 -","- C28 H40 Cl2 F24 N4 O8 P4 Rh2 -","- C112 H160 Cl8 F96 N16 O32 P16 Rh8 -","4","1","","Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera","Oxygen Reduction to Water Mediated by a Dirhodium Hydrido-Chloride Complex","Journal of the American Chemical Society","2011","133","","8114","8117","10.1021/ja201972v","","","0.71073","MoKα","","0.0468","0.0368","","","0.0883","0.0958","","","","","","1.045","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106187","12.7491","0.0012","19.59","0.0018","21.03","0.002","90","","98.354","0.002","90","","5196.6","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Cl4 F24 N4 O8 P4 Rh2 -","- C28 H40 Cl4 F24 N4 O8 P4 Rh2 -","- C112 H160 Cl16 F96 N16 O32 P16 Rh8 -","4","1","","Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera","Oxygen Reduction to Water Mediated by a Dirhodium Hydrido-Chloride Complex","Journal of the American Chemical Society","2011","133","","8114","8117","10.1021/ja201972v","","","0.71073","MoKα","","0.0506","0.0346","","","0.0757","0.0845","","","","","","1.06","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106188","44.021","0.003","11.0442","0.0007","25.8534","0.0016","90","","120.892","0.001","90","","10786.2","1.2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C31 H47.5 Cl3 F24 N4 O8 P4 Rh2 -","- C31 H47.5 Cl3 F24 N4 O8 P4 Rh2 -","- C248 H380 Cl24 F192 N32 O64 P32 Rh16 -","8","1","","Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera","Oxygen Reduction to Water Mediated by a Dirhodium Hydrido-Chloride Complex","Journal of the American Chemical Society","2011","133","","8114","8117","10.1021/ja201972v","","","0.71073","MoKα","","0.0372","0.029","","","0.0702","0.0758","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106189","7.293","0.0015","10.03","0.002","12.207","0.002","85.06","0.03","77.13","0.03","87.58","0.03","867","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H12 Cl3 N O4 -","- C16 H12 Cl3 N O4 -","- C32 H24 Cl6 N2 O8 -","2","2","","K. C. Nicolaou; Nicholas L. Simmons; Yongcheng Ying; Philipp M. Heretsch; Jason S. Chen","Enantioselective Dichlorination of Allylic Alcohols","Journal of the American Chemical Society","2011","133","","8134","8137","10.1021/ja202555m","","","0.71073","MoKα","","0.0699","0.0614","","","0.1752","0.1826","","","","","","1.11","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106190","4.945","0.001","6.6101","0.0013","14.853","0.003","88.98","0.03","81.05","0.03","77.28","0.03","467.75","0.18","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H17 Cl2 N O5 -","- C18 H17 Cl2 N O5 -","- C18 H17 Cl2 N O5 -","1","1","","K. C. Nicolaou; Nicholas L. Simmons; Yongcheng Ying; Philipp M. Heretsch; Jason S. Chen","Enantioselective Dichlorination of Allylic Alcohols","Journal of the American Chemical Society","2011","133","","8134","8137","10.1021/ja202555m","","","0.71073","MoKα","","0.0334","0.0321","","","0.0774","0.0785","","","","","","1.111","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106191","18.3756","0.0011","14.6058","0.0009","22.0886","0.0013","90","","111.729","0.001","90","","5507.1","0.6","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(kN-Acetonitrile)(h5-cyclopentadienyl)(kP-2-diphenyl- phosphanyl-6-(2,4,6-triphenylphenyl)pyridine)- (kP-tributylphosphine)ruthenium(II) hexafluorophosphate","","- C60 H65 F6 N2 P3 Ru -","- C60 H65 F6 N2 P3 Ru -","- C240 H260 F24 N8 P12 Ru4 -","4","1","","Florian Boeck; Thomas Kribber; Li Xiao; Lukas Hintermann","Mixed Phosphane η5-CpRuCl(PR3)2 Complexes as Ambifunctional Catalysts for Anti-Markovnikov Hydration of Terminal Alkynes","Journal of the American Chemical Society","2011","133","","8138","8141","10.1021/ja2026823","","x-ray","0.71073","MoKα","","0.106","0.0532","","","0.106","0.1234","","","","","","0.884","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106192","8.0469","0.0008","16.2859","0.0016","10.5311","0.001","90","","106.797","0.003","90","","1321.2","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H27 Br N2 O4 -","- C30 H27 Br N2 O4 -","- C60 H54 Br2 N4 O8 -","2","1","","Jun Jiang; Hua-Dong Xu; Jian-Bei Xi; Bai-Yan Ren; Feng-Ping Lv; Xin Guo; Li-Qin Jiang; Zhi-Yong Zhang; Wen-Hao Hu","Diastereoselectively Switchable Enantioselective Trapping of Carbamate Ammonium Ylides with Imines","Journal of the American Chemical Society","2011","133","","8428","8431","10.1021/ja201589k","","","0.71073","MoKα","","0.0536","0.037","","","0.074","0.0814","","","","","","1.019","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106193","8.5528","0.0003","14.2736","0.0005","11.6894","0.0004","90","","102.228","0.001","90","","1394.66","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H29 Br N2 O5 -","- C31 H29 Br N2 O5 -","- C62 H58 Br2 N4 O10 -","2","1","","Jun Jiang; Hua-Dong Xu; Jian-Bei Xi; Bai-Yan Ren; Feng-Ping Lv; Xin Guo; Li-Qin Jiang; Zhi-Yong Zhang; Wen-Hao Hu","Diastereoselectively Switchable Enantioselective Trapping of Carbamate Ammonium Ylides with Imines","Journal of the American Chemical Society","2011","133","","8428","8431","10.1021/ja201589k","","","0.71073","MoKα","","0.0258","0.0241","","","0.0614","0.0622","","","","","","1.058","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106194","12.581","0.002","16.682","0.003","21.338","0.004","108.511","0.003","90.726","0.003","112","0.003","3893.1","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H62 F6 Fe N6 O7 S2 -","- C94 H62 F6 Fe N6 O7.177 S2 -","- C188 H124 F12 Fe2 N12 O14.354 S4 -","2","1","","Yasuhiro Nishikawa; Hisashi Yamamoto","Iron-Catalyzed Asymmetric Epoxidation of β,β-Disubstituted Enones","Journal of the American Chemical Society","2011","133","","8432","8435","10.1021/ja201873d","","","0.71073","MoKα","","0.1084","0.0632","","","0.1515","0.1684","","","","","","0.897","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106195","15.5224","0.0006","14.0036","0.0005","17.1234","0.0006","90","","90","","90","","3722.1","0.2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","[SiPipr2SAd]FeCl","","","- C40 H55 Cl Fe P2 S Si -","- C40 H55 Cl Fe P2 S Si -","- C160 H220 Cl4 Fe4 P8 S4 Si4 -","4","1","","Ayumi Takaoka; Neal P. Mankad; Jonas C. Peters","Dinitrogen Complexes of Sulfur-Ligated Iron","Journal of the American Chemical Society","2011","133","","8440","8443","10.1021/ja2020907","","","0.71073","MoKα","","0.0406","0.0351","","","0.0853","0.0887","","","","","","1.021","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106196","16.5522","0.0007","15.7697","0.0006","28.0672","0.0011","90","","102.447","0.002","90","","7154","0.5","296","2","296","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","[SiPipr2SAd]FeN2BArF","","","- C72 H67 B Cl F24 Fe N2 P2 S Si -","- C72 H63 B F24 Fe N2 P2 S Si -","- C288 H252 B4 F96 Fe4 N8 P8 S4 Si4 -","4","1","","Ayumi Takaoka; Neal P. Mankad; Jonas C. Peters","Dinitrogen Complexes of Sulfur-Ligated Iron","Journal of the American Chemical Society","2011","133","","8440","8443","10.1021/ja2020907","","","0.71073","MoKα","","0.0835","0.0547","","","0.1339","0.1503","","","","","","1.022","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106197","27.2245","0.0006","27.2245","0.0006","13.8202","0.0004","90","","90","","90","","10243.2","0.4","100","2","100","2","","","","","","","","7","I -4","I -4","82","[SiPipr2SAd]FeCp","","","- C96 H120 Fe2 O P4 S2 Si4 -","- C96 H120 Fe2 O P4 S2 Si4 -","- C384 H480 Fe8 O4 P16 S8 Si16 -","4","0.5","","Ayumi Takaoka; Neal P. Mankad; Jonas C. Peters","Dinitrogen Complexes of Sulfur-Ligated Iron","Journal of the American Chemical Society","2011","133","","8440","8443","10.1021/ja2020907","","","0.71073","MoKα","","0.0612","0.0498","","","0.1376","0.1455","","","","","","1.077","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106198","12.2792","0.0014","18.8853","0.0018","14.6011","0.0019","90","","90.993","0.008","90","","3385.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[[SiPipr2S]Fe]2","","","- C70 H104 Fe2 P4 S2 Si2 -","- C70 H52 Fe2 P4 S2 Si2 -","- C140 H104 Fe4 P8 S4 Si4 -","2","0.5","","Ayumi Takaoka; Neal P. Mankad; Jonas C. Peters","Dinitrogen Complexes of Sulfur-Ligated Iron","Journal of the American Chemical Society","2011","133","","8440","8443","10.1021/ja2020907","","","0.71073","MoKα","","0.2502","0.1426","","","0.3305","0.3619","","","","","","1.613","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106199","11.0806","0.0005","13.0186","0.0006","19.1039","0.0008","93.752","0.001","105.59","0.001","91.585","0.001","2645.8","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[SiPiprSAd2]Fe(H)(N2)","","","- C58 H80 Fe N2 P S2 Si -","- C58 H79.144 Fe N2 P S2 Si -","- C116 H158.288 Fe2 N4 P2 S4 Si2 -","2","1","","Ayumi Takaoka; Neal P. Mankad; Jonas C. Peters","Dinitrogen Complexes of Sulfur-Ligated Iron","Journal of the American Chemical Society","2011","133","","8440","8443","10.1021/ja2020907","","","0.71073","MoKα","","0.0926","0.0579","","","0.1453","0.1598","","","","","","1.161","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106200","7.1862","0.0003","11.0021","0.0005","27.7885","0.0013","90","","90","","90","","2197.05","0.17","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","C22H29BrN2O2","","","- C22 H29 Br N2 O2 -","- C22 H29 Br N2 O2 -","- C88 H116 Br4 N8 O8 -","4","1","","Sarah E. Wengryniuk; Daniel Lim; Don M. Coltart","Regioselective Asymmetric α,α-Bisalkylation of Ketones via Complex-Induced Syn-Deprotonation of Chiral N-Amino Cyclic Carbamate Hydrazones","Journal of the American Chemical Society","2011","133","","8714","8720","10.1021/ja202267k","","","0.71073","MoKα","","0.1181","0.0568","","","0.1446","0.1776","","","","","","1.022","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106201","6.735","0.001","10.415","0.002","31.635","0.004","90","","90","","90","","2219","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","C23H29BrN2O2","","","- C23 H29 Br N2 O2 -","- C23 H29 Br N2 O2 -","- C92 H116 Br4 N8 O8 -","4","1","","Sarah E. Wengryniuk; Daniel Lim; Don M. Coltart","Regioselective Asymmetric α,α-Bisalkylation of Ketones via Complex-Induced Syn-Deprotonation of Chiral N-Amino Cyclic Carbamate Hydrazones","Journal of the American Chemical Society","2011","133","","8714","8720","10.1021/ja202267k","","","0.71073","MoKα","","0.0538","0.0357","","","0.0805","0.0878","","","","","","1.035","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106202","32.205","0.006","12.094","0.002","22.004","0.004","90","","125.94","0.03","90","","6939","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H28.5 Ag2 F4.5 N8 O4.5 S1.5 -","- C28.5 H28.5 Ag2 F4.5 N8 O4.5 S1.5 -","- C228 H228 Ag16 F36 N64 O36 S12 -","8","1","","Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang","Designed Synthesis of Metal Cluster-Centered Pseudo-Rotaxane Supramolecular Architectures","Journal of the American Chemical Society","2011","133","","8448","8451","10.1021/ja202294v","","","0.71073","MoKα","","0.0877","0.0778","","","0.2045","0.2171","","","","","","1.154","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106203","17.278","0.004","18.822","0.004","27.281","0.006","99.56","0.03","107.48","0.03","91.06","0.03","8323","4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C128 H108 Ag8 F18 N32 O18 S6 -","- C128 H108 Ag8 F18 N32 O18 S6 -","- C256 H216 Ag16 F36 N64 O36 S12 -","2","1","","Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang","Designed Synthesis of Metal Cluster-Centered Pseudo-Rotaxane Supramolecular Architectures","Journal of the American Chemical Society","2011","133","","8448","8451","10.1021/ja202294v","","","0.71073","MoKα","","0.1273","0.0946","","","0.2633","0.2912","","","","","","1.008","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106204","6.259","0.003","7.569","0.003","20.826","0.009","90","0.001","92.781","0.001","90","0.001","985.5","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","DATT","","- C30 H16 S2 -","- C30 H16 S2 -","- C60 H32 S4 -","2","1","","Kazuki Niimi; Shoji Shinamura; Itaru Osaka; Eigo Miyazaki; Kazuo Takimiya","Dianthra[2,3-b:2',3'-f]thieno[3,2-b]thiophene (DATT): Synthesis, Characterization, and FET Characteristics of New π-Extended Heteroarene with Eight Fused Aromatic Rings","Journal of the American Chemical Society","2011","133","","8732","8739","10.1021/ja202377m","","","0.7107","MoKα","","0.0643","0.0595","","","0.142","0.1473","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106205","15.122","0.002","15.122","0.002","13.83","0.004","90","","90","","90","","3162.6","1.1","100","2","100","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C44 H32 N4 O -","- C44 H32 N4 O -","- C176 H128 N16 O4 -","4","0.25","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.0557","0.0367","","","0.078","0.0844","","","","","","1.03","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106206","11.2363","0.0006","13.2294","0.0007","13.461","0.0007","92.94","0.001","103.856","0.001","112.928","0.001","1765.71","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H34 N4 Ni O3 -","- C46 H34 N4 Ni O3 -","- C92 H68 N8 Ni2 O6 -","2","1","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.0532","0.047","","","0.1288","0.1332","","","","","","1.071","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106207","21.0637","0.0018","20.4454","0.0018","25.047","0.002","90","","90","","90","","10786.6","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C70 H50 N4 Ni O3 -","- C70 H50 N4 Ni O3 -","- C560 H400 N32 Ni8 O24 -","8","1","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.0555","0.0442","","","0.1137","0.1257","","","","","","1.038","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106208","12.642","0.006","15.09","0.007","19.894","0.009","100.214","0.006","104.401","0.007","98.271","0.006","3547","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H27 N5 Ni O -","- C45 H27 N5 Ni O -","- C180 H108 N20 Ni4 O4 -","4","2","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.1329","0.0741","","","0.1638","0.1847","","","","","","0.925","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106209","9.6674","0.001","11.3608","0.0011","19.2435","0.0019","77.098","0.002","81.46","0.002","81.878","0.002","2024.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H40 N4 O2 -","- C57 H40 N4 O2 -","- C114 H80 N8 O4 -","2","1","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.1357","0.1033","","","0.2236","0.2395","","","","","","1.234","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106210","13.721","0.002","20.203","0.003","25.633","0.005","90","","102.309","0.002","90","","6942","2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C46 H36 N4 O2 -","- C46 H36 N4 O2 -","- C368 H288 N32 O16 -","8","2","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.0778","0.0556","","","0.1422","0.1571","","","","","","1.032","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106211","14.9159","0.0014","14.9159","0.0014","14.128","0.003","90","","90","","90","","3143.3","0.8","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C44 H30 N4 Ni O -","- C44 H30 N4 Ni O -","- C176 H120 N16 Ni4 O4 -","4","0.25","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.0362","0.0288","","","0.0629","0.0657","","","","","","1.027","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106212","10.491","0.001","10.657","0.001","13.007","0.001","96.564","0.003","103.027","0.003","110.125","0.003","1300.7","0.2","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 F3 N2 O2 Si -","- C28 H29 F3 N2 O2 Si -","- C56 H58 F6 N4 O4 Si2 -","2","1","","Naoya Shindoh; Kazuo Kitaura; Yoshiji Takemoto; Kiyosei Takasu","Catalyst-Controlled Torquoselectivity Switch in the 4π Ring-Opening Reaction of 2-Amino-2-azetines Giving β-Substituted α,β-Unsaturated Amidines","Journal of the American Chemical Society","2011","133","","8470","8473","10.1021/ja202576e","","","0.7107","MoKα","","","0.077","","","","0.112","","","","","","0.875","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106213","22.1032","0.0009","14.2805","0.0006","25.7699","0.0011","90","","115.251","0.002","90","","7356.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H50 N2 O3 Ru -","- C37 H50 N2 O3 Ru -","- C296 H400 N16 O24 Ru8 -","8","2","","Koji Endo; Robert H. Grubbs","Chelated Ruthenium Catalysts for Z-Selective Olefin Metathesis","Journal of the American Chemical Society","2011","133","","8525","8527","10.1021/ja202818v","","","0.71073","MoKα","","0.1101","0.0766","","","0.1001","0.1014","","","","","","2.485","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106214","15.8871","0.0007","8.2831","0.0004","24.9853","0.0011","90","","100.885","0.002","90","","3228.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H44 Cl4 N2 O Ru -","- C33 H44 Cl4 N2 O Ru -","- C132 H176 Cl16 N8 O4 Ru4 -","4","1","","Koji Endo; Robert H. Grubbs","Chelated Ruthenium Catalysts for Z-Selective Olefin Metathesis","Journal of the American Chemical Society","2011","133","","8525","8527","10.1021/ja202818v","","","0.71073","MoKα","","0.0405","0.028","","","0.0498","0.0508","","","","","","1.522","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106215","17.8996","0.0009","15.312","0.0007","24.1534","0.0012","90","","90","","90","","6619.9","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H46 N2 O3 Ru -","- C36 H46 N2 O3 Ru -","- C288 H368 N16 O24 Ru8 -","8","1","","Koji Endo; Robert H. Grubbs","Chelated Ruthenium Catalysts for Z-Selective Olefin Metathesis","Journal of the American Chemical Society","2011","133","","8525","8527","10.1021/ja202818v","","","0.71073","MoKα","","0.0514","0.0296","","","0.0483","0.0493","","","","","","2.041","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106216","6.6184","0.0006","8.4914","0.0007","28.927","0.003","90","","90","","90","","1625.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","VRT-2-160","toste44","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Vivek Rauniyar; Z. Jane Wang; Heather E. Burks; F. Dean Toste","Enantioselective Synthesis of Highly Substituted Furans by a Copper(II)-Catalyzed Cycloisomerization-Indole Addition Reaction","Journal of the American Chemical Society","2011","133","","8486","8489","10.1021/ja202959n","","","1.54178","CuKα","","0.026","0.0259","","","0.0668","0.0669","","","","","","1.059","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4106217","35.414","0.004","12.6212","0.0014","9.2922","0.001","90","","95.497","0.005","90","","4134.2","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48.3 H43.3 N2 O13 -","- C48.28 H43.28 N2 O13 -","- C193.12 H173.12 N8 O52 -","4","0.5","","Pradeep P. Kapadia; Lindsay R. Ditzler; Jonas Baltrusaitis; Dale C. Swenson; Alexei V. Tivanski; F. Christopher Pigge","Semiconducting Organic Assemblies Prepared from Tetraphenylethylene Tetracarboxylic Acid and Bis(pyridine)s via Charge-Assisted Hydrogen Bonding","Journal of the American Chemical Society","2011","133","","8490","8493","10.1021/ja203001z","","","0.71073","MoKα","","0.0925","0.0574","","","0.1392","0.1587","","","","","","1.043","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106218","36.557","0.004","12.51","0.0014","9.2151","0.001","90","","96.781","0.005","90","","4184.8","0.8","190","2","190","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47.4 H45.58 N2 O13.4 -","- C47.396 H40 N2 O13.396 -","- C189.584 H160 N8 O53.584 -","4","0.5","","Pradeep P. Kapadia; Lindsay R. Ditzler; Jonas Baltrusaitis; Dale C. Swenson; Alexei V. Tivanski; F. Christopher Pigge","Semiconducting Organic Assemblies Prepared from Tetraphenylethylene Tetracarboxylic Acid and Bis(pyridine)s via Charge-Assisted Hydrogen Bonding","Journal of the American Chemical Society","2011","133","","8490","8493","10.1021/ja203001z","","","0.71073","MoKα","","0.1284","0.0572","","","0.1223","0.1522","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106219","9.4628","0.001","14.493","0.0015","16.21","0.0017","99.907","0.005","98.249","0.005","90.148","0.005","2166.5","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H48 N2 O15 -","- C47 H36 N2 O15 -","- C94 H72 N4 O30 -","2","1","","Pradeep P. Kapadia; Lindsay R. Ditzler; Jonas Baltrusaitis; Dale C. Swenson; Alexei V. Tivanski; F. Christopher Pigge","Semiconducting Organic Assemblies Prepared from Tetraphenylethylene Tetracarboxylic Acid and Bis(pyridine)s via Charge-Assisted Hydrogen Bonding","Journal of the American Chemical Society","2011","133","","8490","8493","10.1021/ja203001z","","","0.71073","MoKα","","0.1719","0.1067","","","0.2815","0.3246","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106220","17.7779","0.0001","12.4782","0.0001","35.9708","0.0003","90","","90.565","0.0003","90","","7979.24","0.1","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85 H71 B2 F24 N P2 Ru -","- C85 H71 B2 F24 N P2 Ru -","- C340 H284 B8 F96 N4 P8 Ru4 -","4","1","","Dragoslav Vidovic; David A. Addy; Tobias Krämer; John McGrady; Simon Aldridge","Probing the Intrinisic Structure and Dynamics of Aminoborane Coordination at Late Transition Metal Centers: Mono(σ-BH) Binding in [CpRu(PR3)2(H2BNCy2)]+","Journal of the American Chemical Society","2011","133","","8494","8497","10.1021/ja203051d","","","0.71073","MoKα","","0.1072","0.0566","","0.1374","0.1169","0.1374","","","","","","0.9302","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106221","13.2296","0.0002","17.2074","0.0003","17.6001","0.0003","92.5084","0.0007","103.503","0.0006","93.3378","0.0007","3882.45","0.11","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C75 H89 B2 F24 N P2 Ru -","- C75 H89 B2 F24 N P2 Ru -","- C150 H178 B4 F48 N2 P4 Ru2 -","2","1","","Dragoslav Vidovic; David A. Addy; Tobias Krämer; John McGrady; Simon Aldridge","Probing the Intrinisic Structure and Dynamics of Aminoborane Coordination at Late Transition Metal Centers: Mono(σ-BH) Binding in [CpRu(PR3)2(H2BNCy2)]+","Journal of the American Chemical Society","2011","133","","8494","8497","10.1021/ja203051d","","","0.71073","MoKα","","0.0969","0.0735","","0.193","0.1748","0.1929","","","","","","0.9283","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106222","12.8044","0.0002","24.7611","0.0004","22.1693","0.0003","90","","93.5095","0.001","90","","7015.62","0.18","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H70 B F25 N2 P2 Ru -","- C69 H70 B F25 N2 P2 Ru -","- C276 H280 B4 F100 N8 P8 Ru4 -","4","1","","Dragoslav Vidovic; David A. Addy; Tobias Krämer; John McGrady; Simon Aldridge","Probing the Intrinisic Structure and Dynamics of Aminoborane Coordination at Late Transition Metal Centers: Mono(σ-BH) Binding in [CpRu(PR3)2(H2BNCy2)]+","Journal of the American Chemical Society","2011","133","","8494","8497","10.1021/ja203051d","","","0.71073","MoKα","","0.1407","0.108","","0.3318","0.2855","0.3318","","","","","","0.9759","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106223","13.8216","0.0001","16.9386","0.0001","17.6382","0.0002","61.5593","0.0004","86.4334","0.0004","85.0717","0.0004","3616.56","0.05","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C158 H104 B2 F50 N2 P4 Ru2 -","- C158 H104 B2 F50 N2 P4 Ru2 -","- C158 H104 B2 F50 N2 P4 Ru2 -","1","0.5","","Dragoslav Vidovic; David A. Addy; Tobias Krämer; John McGrady; Simon Aldridge","Probing the Intrinisic Structure and Dynamics of Aminoborane Coordination at Late Transition Metal Centers: Mono(σ-BH) Binding in [CpRu(PR3)2(H2BNCy2)]+","Journal of the American Chemical Society","2011","133","","8494","8497","10.1021/ja203051d","","","0.71073","MoKα","","0.0675","0.0489","","0.1204","0.1124","0.1203","","","","","","0.9549","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106224","21.6694","0.001","9.9829","0.0005","24.027","0.0011","90","","108.828","0.002","90","","4919.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H67 Cl2 N5 Ru -","- C54 H67 Cl2 N5 Ru -","- C216 H268 Cl8 N20 Ru4 -","4","1","","Benjamin K. Keitz; Jean Bouffard; Guy Bertrand; Robert H. Grubbs","Protonolysis of a Ruthenium-Carbene Bond and Applications in Olefin Metathesis","Journal of the American Chemical Society","2011","133","","8498","8501","10.1021/ja203070r","","","0.71073","MoKα","","0.052","0.0353","","","0.0597","0.0605","","","","","","2.179","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106225","12.428","0.0005","16.2309","0.0006","32.2578","0.0014","90","","98.835","0.004","90","","6429.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C112 H164 Cl16 N8 Si6 Zr4 -","- C112 H164 Cl16 N8 Si6 Zr4 -","- C224 H328 Cl32 N16 Si12 Zr8 -","2","0.5","","Shigeyoshi Inoue; Jan D. Epping; Elisabeth Irran; Matthias Driess","Formation of a Donor-Stabilized Tetrasilacyclobutadiene Dication by a Lewis Acid Assisted Reaction of an N-Heterocyclic Chloro Silylene","Journal of the American Chemical Society","2011","133","","8514","8517","10.1021/ja2033475","","","0.71073","MoKα","","0.1184","0.0542","","","0.0817","0.0922","","","","","","0.826","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106226","18.3531","0.0004","18.8032","0.0004","26.5436","0.0006","90","","90","","90","","9160.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C113 H81 Cl3 Co2 N8 O4 -","- C113 H81 Cl3 Co2 N8 O4 -","- C452 H324 Cl12 Co8 N32 O16 -","4","1","","Hongjian Lu; Wojciech I. Dzik; Xue Xu; Lukasz Wojtas; Bas de Bruin; X. Peter Zhang","Experimental Evidence for Cobalt(III)-Carbene Radicals: Key Intermediates in Cobalt(II)-Based Metalloradical Cyclopropanation","Journal of the American Chemical Society","2011","133","","8518","8521","10.1021/ja203434c","","","1.54178","CuKα","","0.0929","0.0535","","","0.1063","0.1202","","","","","","1.012","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106227","14.0088","0.0002","14.8434","0.0003","16.4241","0.0003","103.556","0.0007","110.044","0.0009","103.809","0.0007","2922.46","0.1","123","","123","","","","","","","","LOC ETH Zurich","6","P -1","-P 1","2","","","","- C57 H46 B F24 P3 Pt -","- C57 H46 B F24 P3 Pt -","- C114 H92 B2 F48 P6 Pt2 -","2","1","","Daniel Serra; Marc-Etienne Moret; Peter Chen","Transmetalation of Methyl Groups Supported by PtII-AuI Bonds in the Gas Phase, in Silico, and in Solution","Journal of the American Chemical Society","2011","133","","8914","8926","10.1021/ja110405q","","","0.71073","MoKα","","0.0493","0.0405","","","0.1095","0.1209","","","","","","0.882","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106228","12.4804","0.0003","12.9209","0.0004","33.2367","0.0012","86.982","0.002","85.996","0.002","69.5802","0.0012","5008.3","0.3","123","","123","","","","","","","","LOC ETH Zurich","6","P -1","-P 1","2","","","","- C42 H40 B F24 P3 Pt -","- C42 H40 B F24 P3 Pt -","- C168 H160 B4 F96 P12 Pt4 -","4","2","","Daniel Serra; Marc-Etienne Moret; Peter Chen","Transmetalation of Methyl Groups Supported by PtII-AuI Bonds in the Gas Phase, in Silico, and in Solution","Journal of the American Chemical Society","2011","133","","8914","8926","10.1021/ja110405q","","","0.71073","MoKα","","0.1537","0.0811","","","0.175","0.2149","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106229","12.386","0.003","14.009","0.003","14.412","0.003","86.286","0.003","82.757","0.003","69.417","0.003","2321.8","0.9","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H44 Au2 Sb2 -","- C64 H44 Au2 Sb2 -","- C128 H88 Au4 Sb4 -","2","1","","Wade, Casey R.; Lin, Tzu-Pin; Nelson, Ryan C.; Mader, Elizabeth A.; Miller, Jeffrey T.; Gabbaï, François P","Synthesis, Structure, and Properties of a T-Shaped 14-Electron Stiboranyl-Gold Complex","Journal of the American Chemical Society","2011","133","23","8948","8955","10.1021/ja201092g","","","0.71073","MoKα","","0.0506","0.037","","","0.0936","0.1085","","","","","","1.043","","","","has coordinates","219275","2020-10-21","18:00:00",""
"4106230","12.6431","0.0016","15.846","0.002","23.458","0.003","85.612","0.002","83.94","0.002","83.805","0.002","4636","1","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H58 Au F N Sb -","- C48 H58 Au F N Sb -","- C192 H232 Au4 F4 N4 Sb4 -","4","2","","Wade, Casey R.; Lin, Tzu-Pin; Nelson, Ryan C.; Mader, Elizabeth A.; Miller, Jeffrey T.; Gabbaï, François P","Synthesis, Structure, and Properties of a T-Shaped 14-Electron Stiboranyl-Gold Complex","Journal of the American Chemical Society","2011","133","23","8948","8955","10.1021/ja201092g","","","0.71073","MoKα","","0.1082","0.0556","","","0.1064","0.1179","","","","","","1.036","","","","has coordinates","219275","2020-10-21","18:00:00",""
"4106231","8.1895","0.0014","5.7464","0.0009","16.269","0.003","90","","97.801","0.005","90","","758.5","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C34 H30 N2 O8 -","2","1","","Vincent N. G. Lindsay; Cyril Nicolas; André B. Charette","Asymmetric Rh(II)-Catalyzed Cyclopropanation of Alkenes with Diacceptor Diazo Compounds: p-Methoxyphenyl Ketone as a General Stereoselectivity Controlling Group","Journal of the American Chemical Society","2011","133","","8972","8981","10.1021/ja201237j","","","1.54178","CuKα","","0.0914","0.0535","","","0.1166","0.1303","","","","","","1.14","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106232","7.9911","0.0001","5.5915","0.0001","17.4447","0.0003","90","","91.981","0.001","90","","779","0.02","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C38 H36 O8 -","2","1","","Vincent N. G. Lindsay; Cyril Nicolas; André B. Charette","Asymmetric Rh(II)-Catalyzed Cyclopropanation of Alkenes with Diacceptor Diazo Compounds: p-Methoxyphenyl Ketone as a General Stereoselectivity Controlling Group","Journal of the American Chemical Society","2011","133","","8972","8981","10.1021/ja201237j","","","1.54178","CuKα","","0.0358","0.0343","","","0.0887","0.0901","","","","","","1.079","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106233","11.94","0.004","5.2913","0.0018","12.294","0.004","90","","94.675","0.016","90","","774.1","0.4","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Cl N O2 -","- C18 H14 Cl N O2 -","- C36 H28 Cl2 N2 O4 -","2","1","","Vincent N. G. Lindsay; Cyril Nicolas; André B. Charette","Asymmetric Rh(II)-Catalyzed Cyclopropanation of Alkenes with Diacceptor Diazo Compounds: p-Methoxyphenyl Ketone as a General Stereoselectivity Controlling Group","Journal of the American Chemical Society","2011","133","","8972","8981","10.1021/ja201237j","","","1.54178","CuKα","","0.053","0.0416","","","0.1022","0.1138","","","","","","1.03","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106234","12.6363","0.0003","16.863","0.0004","21.4921","0.0005","85.226","0.001","89.14","0.001","68.436","0.001","4243.75","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C87 H110 B4 Br4 -","- C87 H110 B4 Br4 -","- C174 H220 B8 Br8 -","2","1","","Pangkuan Chen; Roger A. Lalancette; Frieder Jäkle","Applying the Oligomer Approach to Luminescent Conjugated Organoboranes","Journal of the American Chemical Society","2011","133","","8802","8805","10.1021/ja201436a","","","1.54178","CuKα","","0.049","0.043","","","0.125","0.129","","","","","","1.07","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106235","11.426","0.002","18.457","0.004","18.34","0.004","90","","90","","90","","3867.7","1.4","93.15","","93.15","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C16 H10 N O4 Zn -","- C16 H10 N O4 Zn -","- C128 H80 N8 O32 Zn8 -","8","0.5","","Joobeom Seo; Charlotte Bonneau; Ryotaro Matsuda; Masaki Takata; Susumu Kitagawa","Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media","Journal of the American Chemical Society","2011","133","","9005","9013","10.1021/ja201484s","","","0.710747","MoKα","","0.0753","0.0684","","","0.1713","0.1763","","","","","","1.194","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106236","10.885","0.002","10.93","0.002","18.518","0.004","87.42","0.03","84.99","0.03","70.57","0.03","2069.4","0.8","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H35.5 F2 N4.5 O11 Zn2 -","- C40 H32 F2 N4.5 O11 Zn2 -","- C80 H64 F4 N9 O22 Zn4 -","2","1","","Joobeom Seo; Charlotte Bonneau; Ryotaro Matsuda; Masaki Takata; Susumu Kitagawa","Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media","Journal of the American Chemical Society","2011","133","","9005","9013","10.1021/ja201484s","","","0.710747","MoKα","","0.1075","0.0925","","","0.2342","0.2519","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106237","10.865","0.002","10.96","0.002","15.272","0.003","79.28","0.03","83.75","0.03","84.5","0.03","1770.9","0.6","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H18 F2 N2 O8 Zn2 -","- C32 H18 F2 N2 O8 Zn2 -","- C64 H36 F4 N4 O16 Zn4 -","2","1","","Joobeom Seo; Charlotte Bonneau; Ryotaro Matsuda; Masaki Takata; Susumu Kitagawa","Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media","Journal of the American Chemical Society","2011","133","","9005","9013","10.1021/ja201484s","","","0.710747","MoKα","","0.1457","0.0945","","","0.2363","0.2758","","","","","","1.008","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106238","10.903","0.002","10.96","0.002","14.84","0.003","82.55","0.03","85.61","0.03","88.79","0.03","1753.1","0.6","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H21.5 F2 N2.5 O8.5 Zn2 -","- C33.5 H18 F2 N2.5 O8.5 Zn2 -","- C67 H36 F4 N5 O17 Zn4 -","2","1","","Joobeom Seo; Charlotte Bonneau; Ryotaro Matsuda; Masaki Takata; Susumu Kitagawa","Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media","Journal of the American Chemical Society","2011","133","","9005","9013","10.1021/ja201484s","","","0.710747","MoKα","","0.1411","0.1139","","","0.2844","0.31","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106239","9.845","0.002","10.409","0.002","14.986","0.003","97.76","0.03","91.69","0.03","100.83","0.03","1492.2","0.6","378.15","","378.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H18 F2 N2 O8 Zn2 -","- C32 H18 F2 N2 O8 Zn2 -","- C64 H36 F4 N4 O16 Zn4 -","2","1","","Joobeom Seo; Charlotte Bonneau; Ryotaro Matsuda; Masaki Takata; Susumu Kitagawa","Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media","Journal of the American Chemical Society","2011","133","","9005","9013","10.1021/ja201484s","","","0.710747","MoKα","","0.0967","0.0603","","","0.1021","0.1184","","","","","","1.101","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106240","9.824","0.002","10.461","0.002","14.573","0.003","98.19","0.03","95","0.03","102.13","0.03","1438.6","0.6","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H20 F2 N2 O9 Zn2 -","- C32 H18 F2 N2 O9 Zn2 -","- C64 H36 F4 N4 O18 Zn4 -","2","1","","Joobeom Seo; Charlotte Bonneau; Ryotaro Matsuda; Masaki Takata; Susumu Kitagawa","Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media","Journal of the American Chemical Society","2011","133","","9005","9013","10.1021/ja201484s","","","0.710747","MoKα","","0.1188","0.0824","","","0.1668","0.1906","","","","","","1.079","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106241","10.5625","0.0003","10.6015","0.0003","11.5129","0.0004","66.132","0.001","65.392","0.001","80.115","0.001","1071.86","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 N8 O14 Y2 -","- C40 H46 N8 O14 Y2 -","- C40 H46 N8 O14 Y2 -","1","0.5","","Fatemah Habib; Po-Heng Lin; Jérôme Long; Ilia Korobkov; Wolfgang Wernsdorfer; Muralee Murugesu","The Use of Magnetic Dilution To Elucidate the Slow Magnetic Relaxation Effects of a Dy2 Single-Molecule Magnet","Journal of the American Chemical Society","2011","133","","8830","8833","10.1021/ja2017009","","","0.71073","MoKα","","0.0311","0.0258","","","0.0669","0.0695","","","","","","1.033","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106242","8.557","0.003","8.557","0.003","3.417","0.002","90","","90","","90","","250.2","0.19","140","1","140","1","","","","","","","","2","I 4/m","-I 4","87","","","","- Cl2 Tc -","- Cl2 Tc -","- Cl8 Tc4 -","4","0.25","","Frederic Poineau; Christos D. Malliakas; Philippe F. Weck; Brian L. Scott; Erik V. Johnstone; Paul M. Forster; Eunja Kim; Mercouri G. Kanatzidis; Kenneth R. Czerwinski; Alfred P. Sattelberger","Technetium Dichloride: A New Binary Halide Containing Metal-Metal Multiple Bonds","Journal of the American Chemical Society","2011","133","","8814","8817","10.1021/ja201788m","","","0.71073","MoKα","","0.0312","0.0312","","","0.0989","0.0989","","","","","","1.241","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106243","6.66","0.002","13.081","0.005","8.454","0.003","90","","96.275","0.004","90","","732.1","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 Br O2 S2 -","- C14 H13 Br O2 S2 -","- C28 H26 Br2 O4 S4 -","2","1","","Zhi-Min Chen; Qing-Wei Zhang; Zhi-Hua Chen; Hui Li; Yong-Qiang Tu; Fu-Min Zhang; Jin-Miao Tian","Organocatalytic Asymmetric Halogenation/Semipinacol Rearrangement: Highly Efficient Synthesis of Chiral α-Oxa-Quaternary β-Haloketones","Journal of the American Chemical Society","2011","133","","8818","8821","10.1021/ja201794v","","","0.71073","MoKα","","0.0648","0.0463","","","0.108","0.1166","","","","","","1.048","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106244","8.42","0.006","12.337","0.008","14.455","0.009","90","","90","","90","","1501.5","1.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl O2 -","- C18 H17 Cl O2 -","- C72 H68 Cl4 O8 -","4","1","","Zhi-Min Chen; Qing-Wei Zhang; Zhi-Hua Chen; Hui Li; Yong-Qiang Tu; Fu-Min Zhang; Jin-Miao Tian","Organocatalytic Asymmetric Halogenation/Semipinacol Rearrangement: Highly Efficient Synthesis of Chiral α-Oxa-Quaternary β-Haloketones","Journal of the American Chemical Society","2011","133","","8818","8821","10.1021/ja201794v","","","0.71073","MoKα","","0.0847","0.0514","","","0.0784","0.0875","","","","","","0.988","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106245","26.2357","0.0008","10.3821","0.0003","16.5816","0.0005","90","","90","","90","","4516.5","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C48 H32 B F20 O P Zr -","- C48 H32 B F20 O P Zr -","- C192 H128 B4 F80 O4 P4 Zr4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Cationic Zirconocene-Phosphinoaryloxide Complexes and Their Application in Catalytic Dehydrogenation of Amine Boranes","Journal of the American Chemical Society","2011","133","","8826","8829","10.1021/ja201989c","","","0.71073","MoKα","","0.0252","0.0232","","","0.0585","0.0597","","","","","","1.042","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106246","10.6311","0.0003","14.6798","0.0004","19.5986","0.0006","100.036","0.002","97.928","0.002","109.72","0.002","2770.58","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H54 B F20 O P Zr -","- C58 H54 B F20 O P Zr -","- C116 H108 B2 F40 O2 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Cationic Zirconocene-Phosphinoaryloxide Complexes and Their Application in Catalytic Dehydrogenation of Amine Boranes","Journal of the American Chemical Society","2011","133","","8826","8829","10.1021/ja201989c","","","0.71073","MoKα","","0.0615","0.0454","","","0.1025","0.1095","","","","","","1.081","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106247","10.7432","0.0018","15.051","0.003","18.839","0.003","102.193","0.005","98.131","0.005","93.585","0.005","2934.1","0.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H64 B2 F20 N O P Zr -","- C61 H64 B2 F20 N O P Zr -","- C122 H128 B4 F40 N2 O2 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Cationic Zirconocene-Phosphinoaryloxide Complexes and Their Application in Catalytic Dehydrogenation of Amine Boranes","Journal of the American Chemical Society","2011","133","","8826","8829","10.1021/ja201989c","","","1.54178","CuKα","","0.0331","0.0323","","","0.0909","0.0951","","","","","","1.093","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106248","11.3507","0.0004","17.6657","0.0006","22.8335","0.0008","90","","103.391","0.001","90","","4454","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 B F20 Hf O P -","- C48 H32 B F20 Hf O P -","- C192 H128 B4 F80 Hf4 O4 P4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Cationic Zirconocene-Phosphinoaryloxide Complexes and Their Application in Catalytic Dehydrogenation of Amine Boranes","Journal of the American Chemical Society","2011","133","","8826","8829","10.1021/ja201989c","","","0.71073","MoKα","","0.0231","0.0206","","","0.0563","0.0583","","","","","","1.236","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106249","8.7051","0.0007","21.177","0.002","37.004","0.003","90","","90","","90","","6821.6","1","296.2","","296.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Ru(pynaph)(tpy)(H2O)](PF6)2.2(H2O)","","","- C28 H26 F12 N6 O3 P2 Ru -","- C28 H22 F12 N6 O3 P2 Ru -","- C224 H176 F96 N48 O24 P16 Ru8 -","8","1","","Hirosato Yamazaki; Tomoya Hakamata; Manabu Komi; Masayuki Yagi","Stoichiometric Photoisomerization of Mononuclear Ruthenium(II) Monoaquo Complexes Controlling Redox Properties and Water Oxidation Catalysis","Journal of the American Chemical Society","2011","133","","8846","8849","10.1021/ja2024228","","","0.7107","MoKα","","","0.0928","","","","0.2816","","","","","","1.282","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106250","8.841","0.0008","11.402","0.001","18.571","0.001","102.158","0.005","91.087","0.006","97.925","0.001","1810.4","0.3","296.2","","296.2","","","","","","","","","7","P -1","-P 1","2","[Ru(tpy)(PyNaph)(H2O)](PF6)2 - (H2O)(Me2CO)","","","- C31 H30 F12 N6 O3 P2 Ru -","- C31 H30 F12 N6 O3 P2 Ru -","- C62 H60 F24 N12 O6 P4 Ru2 -","2","1","","Hirosato Yamazaki; Tomoya Hakamata; Manabu Komi; Masayuki Yagi","Stoichiometric Photoisomerization of Mononuclear Ruthenium(II) Monoaquo Complexes Controlling Redox Properties and Water Oxidation Catalysis","Journal of the American Chemical Society","2011","133","","8846","8849","10.1021/ja2024228","","","0.7107","MoKα","","","0.0609","","","","0.1734","","","","","","1.286","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106251","17.9641","0.0019","15.9684","0.0015","20.286","0.002","90","","104.115","0.003","90","","5643.5","1","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H34 B2 F30 N2 O2 -","- C55 H34 B2 F30 N2 O2 -","- C220 H136 B8 F120 N8 O8 -","4","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.0896","0.0645","","","0.1397","0.1483","","","","","","1.075","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106252","12.1229","0.0003","13.3121","0.0004","20.7018","0.0006","90.325","0.001","96.079","0.001","101.622","0.001","3252.74","0.16","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C62 H48 B2 Cl2 F30 N2 O5 -","- C62 H48 B2 Cl2 F30 N2 O5 -","- C124 H96 B4 Cl4 F60 N4 O10 -","2","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.0751","0.0609","","","0.1745","0.1897","","","","","","1.018","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106253","9.3267","0.0009","14.2507","0.0016","25.681","0.003","91.16","0.006","91.061","0.006","96.927","0.006","3386.9","0.6","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C54 H108 Ca2 N4 O6 Si4 -","- C54 H108 Ca2 N4 O6 Si4 -","- C108 H216 Ca4 N8 O12 Si8 -","2","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.0672","0.0498","","","0.1422","0.1651","","","","","","1.093","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106254","12.4887","0.0004","14.478","0.0005","18.9052","0.0006","78.553","0.002","80.038","0.002","70.356","0.002","3134.31","0.18","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C61 H44 B2 F30 N2 O5 Zn -","- C61 H44 B2 F30 N2 O5 Zn -","- C122 H88 B4 F60 N4 O10 Zn2 -","2","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.0839","0.055","","","0.1297","0.1487","","","","","","1.08","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106255","10.0271","0.0003","31.6987","0.0011","17.3268","0.0006","90","","105.854","0.002","90","","5297.8","0.3","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H24 B2 F36 N2 O5 Zn -","- C50 H24 B2 F36 N2 O5 Zn -","- C200 H96 B8 F144 N8 O20 Zn4 -","4","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.0834","0.0395","","","0.0776","0.0927","","","","","","1.017","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106256","10.0154","0.0003","31.596","0.0009","17.2633","0.0004","90","","105.816","0.001","90","","5256.1","0.3","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H24 B2 F36 Mg N2 O5 -","- C50 H24 B2 F36 Mg N2 O5 -","- C200 H96 B8 F144 Mg4 N8 O20 -","4","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.0546","0.0358","","","0.0758","0.0832","","","","","","1.021","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106257","17.2351","0.0008","18.9583","0.0008","40.8891","0.0017","76.723","0.002","86.104","0.002","63.11","0.002","11587.4","0.9","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C203 H102 B8 Ca4 Cl6 F144 N8 O20 -","- C203 H102 B8 Ca4 Cl6 F144 N8 O20 -","- C406 H204 B16 Ca8 Cl12 F288 N16 O40 -","2","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.1641","0.0899","","","0.2333","0.2617","","","","","","1.043","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106258","17.2065","0.0007","34.2358","0.0011","39.9013","0.0013","90","","94.874","0.001","90","","23420","1.4","150","2","150","2","","","","","","","synthesis as described","8","C 1 c 1","C -2yc","9","","","","- C203 H102 B8 Cl6 F144 N8 O20 Sr4 -","- C203 H102 B8 Cl6 F144 N8 O20 Sr4 -","- C812 H408 B32 Cl24 F576 N32 O80 Sr16 -","4","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.1117","0.0808","","","0.2061","0.2207","","","","","","1.1","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106259","16.9523","0.0005","19.1265","0.0006","41.6284","0.0014","100.694","0.002","94.116","0.002","114.585","0.001","11891.9","0.7","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C205 H108 B8 Ba4 Cl6 F144 N8 O21 -","- C205 H108 B8 Ba4 Cl6 F144 N8 O21 -","- C410 H216 B16 Ba8 Cl12 F288 N16 O42 -","2","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.0594","0.049","","","0.114","0.1185","","","","","","1.058","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106260","21.341","0.004","7.8924","0.0015","11.615","0.002","90","","93.219","0.003","90","","1953.2","0.6","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Br O4 -","- C22 H25 Br O4 -","- C88 H100 Br4 O16 -","4","1","","Scott A. Snyder; Daniel A. Wespe; J. Marian von Hof","A Concise, Stereocontrolled Total Synthesis of Rippertenol","Journal of the American Chemical Society","2011","133","","8850","8853","10.1021/ja202859f","","","0.71073","MoKα","","0.1301","0.0708","","","0.1731","0.2027","","","","","","1.041","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106261","8.8772","0.0013","17.309","0.003","42.62","0.006","90","","95.771","0.002","90","","6515.6","1.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H48 O4 Si -","- C37 H48 O4 Si -","- C296 H384 O32 Si8 -","8","2","","Scott A. Snyder; Daniel A. Wespe; J. Marian von Hof","A Concise, Stereocontrolled Total Synthesis of Rippertenol","Journal of the American Chemical Society","2011","133","","8850","8853","10.1021/ja202859f","","","0.71073","MoKα","","0.1555","0.0608","","","0.1004","0.1305","","","","","","1.002","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106262","8.2949","0.0014","10.2967","0.0018","18.515","0.003","78.3","0.003","83.853","0.003","85.079","0.003","1536.3","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H46 O2 Si -","- C35 H46 O2 Si -","- C70 H92 O4 Si2 -","2","1","","Scott A. Snyder; Daniel A. Wespe; J. Marian von Hof","A Concise, Stereocontrolled Total Synthesis of Rippertenol","Journal of the American Chemical Society","2011","133","","8850","8853","10.1021/ja202859f","","","0.71073","MoKα","","0.2081","0.051","","","0.0603","0.0874","","","","","","0.682","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106263","6.366","0.003","13.087","0.006","14.032","0.005","90","","105.29","0.03","90","","1127.7","0.9","123.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H36 O4 -","- C27 H36 O4 -","- C54 H72 O8 -","2","1","","Hiromasa Yokoe; Chika Mitsuhashi; Yoko Matsuoka; Tomoyuki Yoshimura; Masahiro Yoshida; Kozo Shishido","Enantiocontrolled Total Syntheses of Breviones A, B, and C","Journal of the American Chemical Society","2011","133","","8854","8857","10.1021/ja202874d","","","0.7107","MoKα","","","0.046","","","","0.068","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106264","17.5522","0.0006","10.4649","0.0004","28.3624","0.0009","90","","90","","90","","5209.7","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H37 Fe N3 -","- C31 H37 Fe N3 -","- C248 H296 Fe8 N24 -","8","1","","Sarah K. Russell; Emil Lobkovsky; Paul J. Chirik","Iron-Catalyzed Intermolecular [2π + 2π] Cycloaddition","Journal of the American Chemical Society","2011","133","","8858","8861","10.1021/ja202992p","","","0.71073","MoKα","","0.0581","0.0413","","","0.1067","0.1165","","","","","","1.014","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106265","13.9722","0.0016","22.691","0.003","21.08","0.002","90","","95.694","0.002","90","","6650.3","1.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H192 B8 N8 O3 Si4 -","- C120 H192 B8 N8 O3 Si4 -","- C240 H384 B16 N16 O6 Si8 -","2","0.5","","Mariham Y. Abraham; Yuzhong Wang; Yaoming Xie; Pingrong Wei; Henry F. Schaefer; Paul V. R. Schleyer; Gregory H. Robinson","Cleavage of Carbene-Stabilized Disilicon","Journal of the American Chemical Society","2011","133","","8874","8876","10.1021/ja203208t","","","0.71073","MoKα","","0.1967","0.0871","","","0.2098","0.2604","","","","","","1.053","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106266","20.195","0.006","12.59","0.004","22.879","0.006","90","","90","","90","","5817","3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C58 H88 B2 N4 O2 Si -","- C58 H88 B2 N4 O2 Si -","- C232 H352 B8 N16 O8 Si4 -","4","1","","Mariham Y. Abraham; Yuzhong Wang; Yaoming Xie; Pingrong Wei; Henry F. Schaefer; Paul V. R. Schleyer; Gregory H. Robinson","Cleavage of Carbene-Stabilized Disilicon","Journal of the American Chemical Society","2011","133","","8874","8876","10.1021/ja203208t","","","0.71073","MoKα","","0.0892","0.052","","","0.1162","0.1357","","","","","","1.031","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106267","9.145","0.002","25.893","0.006","12.708","0.003","90","","106.34","0.002","90","","2887.6","1.1","93.1","","93.1","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 F6 Ir2 N O6 S2 -","- C22 H33 F6 Ir2 N O6 S2 -","- C88 H132 F24 Ir8 N4 O24 S8 -","4","1","","Takashi Kimura; Naoyuki Koiso; Koji Ishiwata; Shigeki Kuwata; Takao Ikariya","H-H and N-H Bond Cleavage of Dihydrogen and Ammonia with a Bifunctional Parent Imido (NH)-Bridged Diiridium Complex","Journal of the American Chemical Society","2011","133","","8880","8883","10.1021/ja203538b","","","0.7107","MoKα","","","0.0257","","","","0.064","","","","","","0.949","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106268","9.722","0.007","12.154","0.009","18.628","0.013","81.67","0.02","80.053","0.018","83","0.02","2135","3","93.1","","93.1","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H54 B Cl2 Ir2 N -","- C45 H53 B Cl2 Ir2 N -","- C90 H106 B2 Cl4 Ir4 N2 -","2","1","","Takashi Kimura; Naoyuki Koiso; Koji Ishiwata; Shigeki Kuwata; Takao Ikariya","H-H and N-H Bond Cleavage of Dihydrogen and Ammonia with a Bifunctional Parent Imido (NH)-Bridged Diiridium Complex","Journal of the American Chemical Society","2011","133","","8880","8883","10.1021/ja203538b","","","0.7107","MoKα","","","0.0545","","","","0.1722","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106269","14.656","0.004","15.452","0.004","36.94","0.009","90","","93.354","0.003","90","","8351","4","93.1","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H120 B2 Ir4 N2 O2 -","- C96 H115.6 B2 Ir4 N2 O2 -","- C384 H462.4 B8 Ir16 N8 O8 -","4","1","","Takashi Kimura; Naoyuki Koiso; Koji Ishiwata; Shigeki Kuwata; Takao Ikariya","H-H and N-H Bond Cleavage of Dihydrogen and Ammonia with a Bifunctional Parent Imido (NH)-Bridged Diiridium Complex","Journal of the American Chemical Society","2011","133","","8880","8883","10.1021/ja203538b","","","0.7107","MoKα","","","0.0385","","","","0.0889","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106270","13.517","0.003","20.4","0.005","14.527","0.004","90","","94.579","0.004","90","","3993","1.7","93.1","","93.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 B Ir2 N -","- C44 H52 B Ir2 N -","- C176 H208 B4 Ir8 N4 -","4","1","","Takashi Kimura; Naoyuki Koiso; Koji Ishiwata; Shigeki Kuwata; Takao Ikariya","H-H and N-H Bond Cleavage of Dihydrogen and Ammonia with a Bifunctional Parent Imido (NH)-Bridged Diiridium Complex","Journal of the American Chemical Society","2011","133","","8880","8883","10.1021/ja203538b","","","0.7107","MoKα","","","0.0536","","","","0.1512","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106271","13.564","0.003","14.299","0.003","21.074","0.005","90","","103.713","0.003","90","","3970.8","1.5","93.1","","93.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H55 B Ir2 N2 -","- C44 H55 B Ir2 N2 -","- C176 H220 B4 Ir8 N8 -","4","1","","Takashi Kimura; Naoyuki Koiso; Koji Ishiwata; Shigeki Kuwata; Takao Ikariya","H-H and N-H Bond Cleavage of Dihydrogen and Ammonia with a Bifunctional Parent Imido (NH)-Bridged Diiridium Complex","Journal of the American Chemical Society","2011","133","","8880","8883","10.1021/ja203538b","","","0.7107","MoKα","","","0.022","","","","0.0521","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106272","9.686","0.002","16.213","0.005","21.63","0.005","90","","90","","90","","3396.8","1.5","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 B F2 N3 O7 -","- C33 H48 B F2 N3 O7 -","- C132 H192 B4 F8 N12 O28 -","4","1","","Hiromitsu Maeda; Kazumasa Naritani; Yoshihito Honsho; Shu Seki","Anion Modules: Building Blocks of Supramolecular Assemblies by Combination with π-Conjugated Anion Receptors","Journal of the American Chemical Society","2011","133","","8896","8899","10.1021/ja203880d","","","0.71075","MoKα","","0.063","0.0427","","","0.0869","0.0933","","","","","","1.039","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106273","19.343","0.004","20.8","0.005","34.866","0.008","90","","90","","90","","14028","5","273","2","273","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- O168 U32 -","- O168 U32 -","- O336 U64 -","2","0.125","","Ginger E. Sigmon; Peter C. Burns","Rapid Self-Assembly of Uranyl Polyhedra into Crown Clusters","Journal of the American Chemical Society","2011","133","","9137","9139","10.1021/ja2013449","","","0.71073","MoKα","","0.1482","0.0802","","","0.1988","0.2268","","","","","","0.984","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106274","19.196","0.006","20.634","0.006","35.074","0.01","90","","90","","90","","13892","7","273","2","273","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- O168 U32 -","- O168 U32 -","- O336 U64 -","2","0.125","","Ginger E. Sigmon; Peter C. Burns","Rapid Self-Assembly of Uranyl Polyhedra into Crown Clusters","Journal of the American Chemical Society","2011","133","","9137","9139","10.1021/ja2013449","","","0.71073","MoKα","","0.1495","0.0754","","","0.1873","0.2077","","","","","","0.819","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106275","19.078","0.005","20.728","0.006","35.208","0.01","90","","90","","90","","13923","7","273","2","273","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- O168 U32 -","- O168 U32 -","- O336 U64 -","2","0.125","","Ginger E. Sigmon; Peter C. Burns","Rapid Self-Assembly of Uranyl Polyhedra into Crown Clusters","Journal of the American Chemical Society","2011","133","","9137","9139","10.1021/ja2013449","","","0.71073","MoKα","","0.108","0.0612","","","0.1553","0.1681","","","","","","0.869","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106276","7.6979","0.0009","31.65","0.004","7.1103","0.0008","90","","90","","90","","1732.3","0.4","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17 H17 Br N2 O4 S -","- C17 H17 Br N2 O4 S -","- C68 H68 Br4 N8 O16 S4 -","4","1","","Ling Zhou; Jie Chen; Chong Kiat Tan; Ying-Yeung Yeung","Enantioselective Bromoaminocyclization Using Amino-Thiocarbamate Catalysts","Journal of the American Chemical Society","2011","133","","9164","9167","10.1021/ja201627h","","","0.71073","MoKα","","0.0431","0.0367","","","0.0807","0.083","","","","","","1.043","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106277","3.7926","0.0004","18.458","0.002","2.9774","0.0002","90","","90","","90","","208.43","0.03","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Hydrazinium (I) Titanium Oxide (0.56/1.86/4)","","- H2.8 N1.12 O4 Ti1.86 -","- N1.12 O4 Ti1.86 -","- N2.24 O8 Ti3.72 -","2","0.125","","Sergey N. Britvin; Andriy Lotnyk; Lorenz Kienle; Sergey V. Krivovichev; Wulf Depmeier","Layered Hydrazinium Titanate: Advanced Reductive Adsorbent and Chemical Toolkit for Design of Titanium Dioxide Nanomaterials","Journal of the American Chemical Society","2011","133","","9516","9525","10.1021/ja202053q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106278","19.804","0.004","20.045","0.004","14.952","0.003","90","","106.03","0.03","90","","5705","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N Si -","- C23 H21 N Si -","- C276 H252 N12 Si12 -","12","3","","Yun Liang; Shaoguang Zhang; Zhenfeng Xi","Palladium-Catalyzed Synthesis of Benzosilolo[2,3-b]indoles via Cleavage of a C(sp3)-Si Bond and Consequent Intramolecular C(sp2)-Si Coupling","Journal of the American Chemical Society","2011","133","","9204","9207","10.1021/ja2024959","","","0.71073","MoKα","","0.2289","0.0472","","","0.0658","0.0929","","","","","","0.529","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106279","21.7834","0.0008","20.2725","0.0007","21.9159","0.0008","90","","116.475","0.002","90","","8663.2","0.6","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C52 H44 N2 O9 -","- C52 H44 N2 O9 -","- C416 H352 N16 O72 -","8","2","","Marina M. Safont-Sempere; Peter Osswald; Matthias Stolte; Matthias Grüne; Manuel Renz; Martin Kaupp; Krzysztof Radacki; Holger Braunschweig; Frank Würthner","Impact of Molecular Flexibility on Binding Strength and Self-Sorting of Chiral π-Surfaces","Journal of the American Chemical Society","2011","133","","9580","9591","10.1021/ja202696d","","","0.71073","MoKα","","0.0911","0.0791","","","0.2314","0.2431","","","","","","1.148","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106280","12.5624","0.0012","15.906","0.0015","20.257","0.002","90","","91.067","0.002","90","","4047","0.7","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[(PY5Me2)Co(NCCH3)](OTf)2","","","- C37 H34 Co F6 N8 O6 S2 -","- C37 H34 Co F6 N8 O6 S2 -","- C148 H136 Co4 F24 N32 O24 S8 -","4","1","","Yujie Sun; Julian P. Bigi; Nicholas A. Piro; Ming Lee Tang; Jeffrey R. Long; Christopher J. Chang","Molecular Cobalt Pentapyridine Catalysts for Generating Hydrogen from Water","Journal of the American Chemical Society","2011","133","","9212","9215","10.1021/ja202743r","","","0.71073","MoKα","","0.0689","0.0591","","","0.1579","0.1676","","","","","","1.064","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106281","12.5749","0.0002","12.5919","0.0002","12.9974","0.0002","113.192","0.001","91.686","0.001","116.337","0.001","1642.48","0.05","230","2","230","2","","","","","","","","7","P -1","-P 1","2","(PY5Me2)Co(OH2)(OTf)2","","","- C31 H27 Co F6 N5 O7 S2 -","- C31 H27 Co F6 N5 O7 S2 -","- C62 H54 Co2 F12 N10 O14 S4 -","2","1","","Yujie Sun; Julian P. Bigi; Nicholas A. Piro; Ming Lee Tang; Jeffrey R. Long; Christopher J. Chang","Molecular Cobalt Pentapyridine Catalysts for Generating Hydrogen from Water","Journal of the American Chemical Society","2011","133","","9212","9215","10.1021/ja202743r","","","1.54178","CuKα","","0.032","0.0304","","","0.0807","0.0819","","","","","","1.052","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106282","12.5328","0.0005","12.686","0.0005","14.0939","0.0006","90.454","0.002","116.072","0.002","119.587","0.002","1676.2","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[(PY5Me2)Zn(H2O)](OTf)2","","","- C31 H27 F6 N5 O7 S2 Zn -","- C31 H27 F6 N5 O7 S2 Zn -","- C62 H54 F12 N10 O14 S4 Zn2 -","2","1","","Yujie Sun; Julian P. Bigi; Nicholas A. Piro; Ming Lee Tang; Jeffrey R. Long; Christopher J. Chang","Molecular Cobalt Pentapyridine Catalysts for Generating Hydrogen from Water","Journal of the American Chemical Society","2011","133","","9212","9215","10.1021/ja202743r","","","0.71073","MoKα","","0.0401","0.0312","","","0.0793","0.084","","","","","","1.038","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106283","10.4204","0.0004","22.6271","0.0008","16.3644","0.0006","90","","90","","90","","3858.5","0.2","100","2","100","2","","","","","","","","7","P b c m","-P 2c 2b","57","[(CF3PY5Me2)Co(OH2)](OTf)2","","","- C35 H36 Co F9 N5 O10 S2 -","- C35 H36 Co F9 N5 O10 S2 -","- C140 H144 Co4 F36 N20 O40 S8 -","4","0.5","","Yujie Sun; Julian P. Bigi; Nicholas A. Piro; Ming Lee Tang; Jeffrey R. Long; Christopher J. Chang","Molecular Cobalt Pentapyridine Catalysts for Generating Hydrogen from Water","Journal of the American Chemical Society","2011","133","","9212","9215","10.1021/ja202743r","","","0.71073","MoKα","","0.0298","0.0262","","","0.0641","0.0667","","","","","","1.099","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106284","21.8445","0.0015","15.8758","0.0011","13.9791","0.001","90","","95.097","0.001","90","","4828.8","0.6","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","[(NMe2PY5Me2)Co(OTf)]OTf","","","- C41.25 H49 Co F6 N6 O9.5 S2 -","- C41.254 H49.016 Co F6 N6 O8.5 S2 -","- C165.016 H196.064 Co4 F24 N24 O34 S8 -","4","0.5","","Yujie Sun; Julian P. Bigi; Nicholas A. Piro; Ming Lee Tang; Jeffrey R. Long; Christopher J. Chang","Molecular Cobalt Pentapyridine Catalysts for Generating Hydrogen from Water","Journal of the American Chemical Society","2011","133","","9212","9215","10.1021/ja202743r","","","0.71073","MoKα","","0.0716","0.0611","","","0.1782","0.1887","","","","","","1.13","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106285","14.0912","0.0002","14.9035","0.0002","12.5426","0.0002","90","","90","","90","","2634.05","0.07","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H18 Br Li N2 O4 -","- C8 H18 Br Li N2 O4 -","- C64 H144 Br8 Li8 N16 O32 -","8","0.5","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.018","0.0178","","","0.0464","0.0465","","","","","","1.089","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106286","9.1703","0.0003","9.1703","0.0003","15.5694","0.0014","90","","90","","90","","1309.3","0.13","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C10 H18 Br Li N2 O4 -","- C10 H18 Br Li N2 O4 -","- C40 H72 Br4 Li4 N8 O16 -","4","0.5","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.0185","0.0181","","","0.0447","0.0449","","","","","","1.078","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106287","14.0427","0.0005","14.6533","0.0005","12.4822","0.0004","90","","90","","90","","2568.49","0.15","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H18 Cl Li N2 O4 -","- C8 H18 Cl Li N2 O4 -","- C64 H144 Cl8 Li8 N16 O32 -","8","0.5","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.0342","0.0312","","","0.0726","0.0738","","","","","","0.994","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106288","9.0791","0.0001","9.0791","0.0001","15.4104","0.0002","90","","90","","90","","1270.28","0.03","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C10 H18 Cl Li N2 O4 -","- C10 H18 Cl Li N2 O4 -","- C40 H72 Cl4 Li4 N8 O16 -","4","0.5","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.0231","0.0229","","","0.0662","0.0663","","","","","","1.022","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106289","9.5197","0.0001","9.9275","0.0001","21.7783","0.0002","90","","90","","90","","2058.2","0.04","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H14 Cl Li N2 O4 -","- C6 H14 Cl Li N2 O4 -","- C48 H112 Cl8 Li8 N16 O32 -","8","1","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.029","0.0274","","","0.0786","0.0798","","","","","","1.031","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106290","16.0472","0.0016","8.4767","0.001","10.8836","0.0011","90","","103.731","0.006","90","","1438.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 Li N3 O7 -","- C10 H22 Li N3 O7 -","- C40 H88 Li4 N12 O28 -","4","1","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.0475","0.0408","","","0.1134","0.1194","","","","","","1.023","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106291","11.0448","0.0003","12.0393","0.0003","20.2019","0.0005","90","","90","","90","","2686.28","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 Li N3 O7 -","- C10 H18 Li N3 O7 -","- C80 H144 Li8 N24 O56 -","8","2","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.0337","0.0314","","","0.0799","0.0812","","","","","","1.045","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106292","9.5219","0.0009","9.5664","0.0009","15.0812","0.0012","90","","90","","90","","1373.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 Li N3 O7 -","- C10 H18 Li N3 O7 -","- C40 H72 Li4 N12 O28 -","4","1","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.064","0.0576","","","0.1454","0.1504","","","","","","1.046","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106293","42.093","0.006","42.093","0.006","16.69","0.003","90","","90","","90","","29572","8","293","2","293","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ga16 Se33 Zn4 -","- Ga16 Se33 Zn4 -","- Ga128 Se264 Zn32 -","8","0.5","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1317","0.0909","","","0.2883","0.3501","","","","","","1.128","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106294","23.5937","0.0008","23.5937","0.0008","42.62","0.003","90","","90","","90","","23725","2","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C3 Ga16 N5 Se33 Zn4 -","- C3 Ga16 N5 Se33 Zn4 -","- C24 Ga128 N40 Se264 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1745","0.0603","","","0.167","0.2278","","","","","","1.04","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106295","22.8934","0.0012","22.8934","0.0012","41.516","0.004","90","","90","","90","","21759","3","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga16 N2 S16.11 Se16.89 Zn4 -","- Ga16 N2 S16.114 Se16.886 Zn4 -","- Ga128 N16 S128.912 Se135.088 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1135","0.0691","","","0.2294","0.2793","","","","","","1.063","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106296","23.5451","0.0002","23.5451","0.0002","41.2267","0.0008","90","","90","","90","","22854.9","0.5","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga16 N2 S12.33 Se20.67 Zn4 -","- Ga16 N2 S12.33 Se20.6692 Zn4 -","- Ga128 N16 S98.64 Se165.354 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1245","0.0592","","","0.1914","0.2499","","","","","","1.091","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106297","23.0701","0.0004","23.0701","0.0004","41.4975","0.0013","90","","90","","90","","22086.2","0.9","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C2 Ga13.58 Se33 Sn2.42 Zn4 -","- C2 Ga13.572 Se33 Sn2.428 Zn4 -","- C16 Ga108.576 Se264 Sn19.424 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1258","0.0594","","","0.1836","0.2367","","","","","","1.075","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106298","23.7021","0.0003","23.7021","0.0003","42.1858","0.0008","90","","90","","90","","23699.5","0.6","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga13.87 S5.39 Se27.67 Sn2.13 Zn4 -","- Ga13.88 S5.37 Se27.67 Sn2.12 Zn4 -","- Ga111.04 S42.96 Se221.36 Sn16.96 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1409","0.0744","","","0.2158","0.3201","","","","","","1.082","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106299","23.6724","0.0002","23.6724","0.0002","42.266","0.0008","90","","90","","90","","23685.1","0.5","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga13.06 S3.3 Se29.7 Sn2.94 Zn4 -","- Ga13.0608 S3.2994 Se29.7 Sn2.9388 Zn4 -","- Ga104.486 S26.3952 Se237.6 Sn23.5104 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1209","0.0705","","","0.2373","0.2865","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106300","23.5849","0.0003","23.5849","0.0003","41.871","0.0017","90","","90","","90","","23290.6","1","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga14.17 S5.52 Se27.57 Sn1.83 Zn4 -","- Ga14.1696 S5.4919 Se27.5033 Sn1.8328 Zn4 -","- Ga113.357 S43.9352 Se220.026 Sn14.6624 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1124","0.0639","","","0.2135","0.2629","","","","","","1.086","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106301","24.1157","0.0002","24.1157","0.0002","41.9575","0.0006","90","","90","","90","","24401.1","0.5","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga12.93 S5.01 Se28.13 Sn3.07 Zn4 -","- Ga12.92 S4.952 Se28.108 Sn3.08 Zn4 -","- Ga103.36 S39.616 Se224.864 Sn24.64 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1141","0.068","","","0.2117","0.2945","","","","","","1.033","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106302","18.7047","0.001","18.7047","0.001","18.7047","0.001","90","","90","","90","","6544.1","0.6","150","2","150","2","","","","","","","","8","I -4 3 m","I -4 2 3","217","","","","- C60 H144 Ga14 N12 S3.29 Se31.71 Sn2 Zn4 -","- C60 H144 Ga14 N12 S3.286 Se31.714 Sn2 Zn4 -","- C120 H288 Ga28 N24 S6.572 Se63.428 Sn4 Zn8 -","2","0.0416667","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.0578","0.0345","","","0.0727","0.0844","","","","","","1.032","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106303","9.074","0.002","21.105","0.005","12.299","0.004","90","","105.218","0.01","90","","2272.7","1","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57 H59 B N2 O4 -","- C57 H59 B N2 O4 -","- C114 H118 B2 N4 O8 -","2","1","","Hiromitsu Maeda; Yuya Bando; Konomi Shimomura; Ippei Yamada; Masanobu Naito; Kazuyuki Nobusawa; Hiroyuki Tsumatori; Tsuyoshi Kawai","Chemical-Stimuli-Controllable Circularly Polarized Luminescence from Anion-Responsive π-Conjugated Molecules","Journal of the American Chemical Society","2011","133","","9266","9269","10.1021/ja203206g","","","0.71075","MoKα","","0.0954","0.0838","","","0.2117","0.2189","","","","","","1.067","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106304","13.336","0.007","14.772","0.009","16.318","0.008","76.813","0.018","77.986","0.017","76.877","0.019","3006","3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H31 B Cl2 N2 O4 -","- C36 H31 B Cl2 N2 O4 -","- C144 H124 B4 Cl8 N8 O16 -","4","2","","Hiromitsu Maeda; Yuya Bando; Konomi Shimomura; Ippei Yamada; Masanobu Naito; Kazuyuki Nobusawa; Hiroyuki Tsumatori; Tsuyoshi Kawai","Chemical-Stimuli-Controllable Circularly Polarized Luminescence from Anion-Responsive π-Conjugated Molecules","Journal of the American Chemical Society","2011","133","","9266","9269","10.1021/ja203206g","","","0.71075","MoKα","","0.2829","0.0851","","","0.1795","0.2789","","","","","","0.909","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106305","14.121","","9.324","","18.497","","90","","99.18","","90","","2404.2","","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H65 B Cl N3 O4 -","- C51 H65 B Cl N3 O4 -","- C102 H130 B2 Cl2 N6 O8 -","2","1","","Hiromitsu Maeda; Yuya Bando; Konomi Shimomura; Ippei Yamada; Masanobu Naito; Kazuyuki Nobusawa; Hiroyuki Tsumatori; Tsuyoshi Kawai","Chemical-Stimuli-Controllable Circularly Polarized Luminescence from Anion-Responsive π-Conjugated Molecules","Journal of the American Chemical Society","2011","133","","9266","9269","10.1021/ja203206g","","","1.54187","CuKα","","0.1754","0.0971","","","0.218","0.2655","","","","","","1.129","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106306","8.696","0.004","16.687","0.009","9.096","0.004","90","","116.168","0.018","90","","1184.6","1","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Hiromitsu Maeda; Yuya Bando; Konomi Shimomura; Ippei Yamada; Masanobu Naito; Kazuyuki Nobusawa; Hiroyuki Tsumatori; Tsuyoshi Kawai","Chemical-Stimuli-Controllable Circularly Polarized Luminescence from Anion-Responsive π-Conjugated Molecules","Journal of the American Chemical Society","2011","133","","9266","9269","10.1021/ja203206g","","","0.71075","MoKα","","0.0433","0.035","","","0.0871","0.0917","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106307","10.059","0.0001","18.4839","0.0002","23.6246","0.0002","90","","93.024","0.001","90","","4386.39","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H55 Cl3 N2 O3 Pd -","- C45 H55 Cl3 N2 O3 Pd -","- C180 H220 Cl12 N8 O12 Pd4 -","4","1","","Bin Xiao; Tian-Jun Gong; Zhao-Jing Liu; Jing-Hui Liu; Dong-Fen Luo; Jun Xu; Lei Liu","Synthesis of Dibenzofurans via Palladium-Catalyzed Phenol-Directed C-H Activation/C-O Cyclization","Journal of the American Chemical Society","2011","133","","9250","9253","10.1021/ja203335u","","","1.54184","CuKα","","0.0387","0.0318","","","0.0893","0.0915","","","","","","1.018","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106308","6.9858","0.0003","13.2211","0.0006","22.1961","0.0009","90","","90","","90","","2050.03","0.15","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","1","","Bin Xiao; Tian-Jun Gong; Zhao-Jing Liu; Jing-Hui Liu; Dong-Fen Luo; Jun Xu; Lei Liu","Synthesis of Dibenzofurans via Palladium-Catalyzed Phenol-Directed C-H Activation/C-O Cyclization","Journal of the American Chemical Society","2011","133","","9250","9253","10.1021/ja203335u","","","1.54184","CuKα","","0.0568","0.0455","","","0.1199","0.1302","","","","","","1.029","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106309","14.4165","0.0007","14.7066","0.0007","15.7017","0.0008","112.429","0.0006","97.6849","0.0006","106.548","0.0006","2837.2","0.2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C45 H68 Ca Cl2 F3 Mn N4 O15 S4 -","- C45 H68 Ca Cl2 F3 Mn N4 O15 S4 -","- C90 H136 Ca2 Cl4 F6 Mn2 N8 O30 S8 -","2","1","","Young Jun Park; Joseph W. Ziller; A. S. Borovik","The Effects of Redox-Inactive Metal Ions on the Activation of Dioxygen: Isolation and Characterization of a Heterobimetallic Complex Containing a MnIII-(μ-OH)-CaII Core","Journal of the American Chemical Society","2011","133","","9258","9261","10.1021/ja203458d","","","0.71073","MoKα","","0.0635","0.0515","","","0.1314","0.1404","","","","","","1.039","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4106310","13.0048","0.0005","14.7028","0.0005","18.2798","0.0007","110.556","0.0004","92.2863","0.0004","105.802","0.0004","3113.2","0.2","198","2","198","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H77 Ba F3 Mn N4 O17 S4 -","- C50 H77 Ba F3 Mn N4 O17 S4 -","- C100 H154 Ba2 F6 Mn2 N8 O34 S8 -","2","1","","Young Jun Park; Joseph W. Ziller; A. S. Borovik","The Effects of Redox-Inactive Metal Ions on the Activation of Dioxygen: Isolation and Characterization of a Heterobimetallic Complex Containing a MnIII-(μ-OH)-CaII Core","Journal of the American Chemical Society","2011","133","","9258","9261","10.1021/ja203458d","","","0.71073","MoKα","","0.0486","0.0373","","","0.0968","0.1035","","","","","","1.03","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106311","16.723","0.007","7.709","0.003","32.443","0.012","90","","95.198","0.005","90","","4165","3","223","","223","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H40 Ir N O2 P2 -","- C17 H40 Ir N O2 P2 -","- C136 H320 Ir8 N8 O16 P16 -","8","2","","Timothy J. Schmeier; Graham E. Dobereiner; Robert H. Crabtree; Nilay Hazari","Secondary Coordination Sphere Interactions Facilitate the Insertion Step in an Iridium(III) CO2 Reduction Catalyst","Journal of the American Chemical Society","2011","133","","9274","9277","10.1021/ja2035514","","","0.71075","MoKα","","","0.0684","","","","0.0955","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106312","13.7","0.003","13.994","0.003","25.058","0.005","83.971","0.002","86.904","0.002","88.474","0.002","4769.5","1.7","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C90 H73 B F24 Fe N2 O3 P2 Y -","- C90 H73 B F24 Fe N2 O3 P2 Y -","- C180 H146 B2 F48 Fe2 N4 O6 P4 Y2 -","2","1","","Erin M. Broderick; Neng Guo; Carola S. Vogel; Cuiling Xu; Jörg Sutter; Jeffrey T. Miller; Karsten Meyer; Parisa Mehrkhodavandi; Paula L. Diaconescu","Redox Control of a Ring-Opening Polymerization Catalyst","Journal of the American Chemical Society","2011","133","","9278","9281","10.1021/ja2036089","","","0.71073","MoKα","","0.0836","0.0553","","","0.1553","0.1684","","","","","","1.061","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106313","17.5092","0.001","29.7286","0.0018","8.5863","0.0005","90","","90","","90","","4469.4","0.5","223","2","223","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H24 F10 N4 O2 Zn -","- C16 H24 F10 N4 O2 Zn -","- C128 H192 F80 N32 O16 Zn8 -","8","0.5","","Ilya Popov; Sergey Lindeman; Olafs Daugulis","Copper-Catalyzed Arylation of 1H-Perfluoroalkanes","Journal of the American Chemical Society","2011","133","","9286","9289","10.1021/ja2041942","","","0.71073","MoKα","","0.0395","0.0384","","","0.102","0.1031","","","","","","1.052","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106314","26.038","0.004","26.038","0.004","21.702","0.004","90","","90","","120","","12742","4","223.15","","223.15","","","","","","","","","8","R -3","-R 3","148","","","","- C20 H36 Cl Cu F5 K N6 O3 -","- C20 H36 Cl Cu F5 K N6 O3 -","- C360 H648 Cl18 Cu18 F90 K18 N108 O54 -","18","","","Ilya Popov; Sergey Lindeman; Olafs Daugulis","Copper-Catalyzed Arylation of 1H-Perfluoroalkanes","Journal of the American Chemical Society","2011","133","","9286","9289","10.1021/ja2041942","","","0.71073","MoKα","","0.0597","0.0508","","","0.1306","0.1362","","","","","","1.022","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106315","5.2162","0.0002","15.3273","0.0004","16.7226","0.0005","87.309","0.002","89.473","0.002","85.92","0.002","1332.09","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C60 H60 N12 O8 -","4","2","","Shainaz M. Landge; Ekatarina Tkatchouk; Diego Benítez; Don Antoine Lanfranchi; Mourad Elhabiri; William A. Goddard; Ivan Aprahamian","Isomerization Mechanism in Hydrazone-Based Rotary Switches: Lateral Shift, Rotation, or Tautomerization?","Journal of the American Chemical Society","2011","133","","9812","9823","10.1021/ja200699v","","x-ray","1.54178","CuKα","","0.0638","0.046","","","0.1128","0.1231","","","","","","1.056","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106316","7.0657","0.0015","10.783","0.002","14.797","0.003","98.277","0.002","98.104","0.002","98.997","0.002","1086.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 F6 N3 O6 -","- C19 H17 F6 N3 O6 -","- C38 H34 F12 N6 O12 -","2","1","","Shainaz M. Landge; Ekatarina Tkatchouk; Diego Benítez; Don Antoine Lanfranchi; Mourad Elhabiri; William A. Goddard; Ivan Aprahamian","Isomerization Mechanism in Hydrazone-Based Rotary Switches: Lateral Shift, Rotation, or Tautomerization?","Journal of the American Chemical Society","2011","133","","9812","9823","10.1021/ja200699v","","x-ray","0.71073","MoKα","","0.1077","0.0892","","","0.3137","0.3445","","","","","","1.313","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106317","7.6924","0.0006","8.5035","0.0006","16.6802","0.0012","86.133","0.001","83.357","0.001","66.975","0.001","997.13","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 F3 N3 O4 -","- C21 H18 F3 N3 O4 -","- C42 H36 F6 N6 O8 -","2","1","","Shainaz M. Landge; Ekatarina Tkatchouk; Diego Benítez; Don Antoine Lanfranchi; Mourad Elhabiri; William A. Goddard; Ivan Aprahamian","Isomerization Mechanism in Hydrazone-Based Rotary Switches: Lateral Shift, Rotation, or Tautomerization?","Journal of the American Chemical Society","2011","133","","9812","9823","10.1021/ja200699v","","x-ray","0.71073","MoKα","","0.0614","0.0541","","","0.1535","0.163","","","","","","1.073","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106318","13.3469","0.0006","15.7707","0.0008","17.3778","0.0009","64.183","0.0019","72.743","0.003","75.348","0.003","3111.8","0.3","150","1","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C59 H74 B Br Fe N2 O P2 -","- C59 H74 B Br Fe N2 O P2 -","- C118 H148 B2 Br2 Fe2 N4 O2 P4 -","2","1","","Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris","Low-Valent Ene-Amido Iron Complexes for the Asymmetric Transfer Hydrogenation of Acetophenone without Base","Journal of the American Chemical Society","2011","133","","9662","9665","10.1021/ja202375y","","","0.71073","MoKα","","0.143","0.0674","","","0.1497","0.172","","","","","","0.892","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106319","13.1562","0.0002","18.2131","0.0003","20.7991","0.0003","67.535","0.001","78.906","0.001","70.363","0.001","4325.97","0.12","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C47 H58 B Br Fe N2 O P2 -","- C47 H58 B Br Fe N2 O P2 -","- C188 H232 B4 Br4 Fe4 N8 O4 P8 -","4","2","","Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris","Low-Valent Ene-Amido Iron Complexes for the Asymmetric Transfer Hydrogenation of Acetophenone without Base","Journal of the American Chemical Society","2011","133","","9662","9665","10.1021/ja202375y","","","0.71073","MoKα","","0.107","0.0499","","","0.1079","0.1303","","","","","","0.993","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106320","16.9216","0.0004","10.2346","0.0002","14.0347","0.0004","90","","98.42","0.001","90","","2404.41","0.1","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 Fe N2 O P2 -","- C23 H36 Fe N2 O P2 -","- C92 H144 Fe4 N8 O4 P8 -","4","1","","Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris","Low-Valent Ene-Amido Iron Complexes for the Asymmetric Transfer Hydrogenation of Acetophenone without Base","Journal of the American Chemical Society","2011","133","","9662","9665","10.1021/ja202375y","","","0.71073","MoKα","","0.0773","0.044","","","0.1055","0.1215","","","","","","1.07","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106321","25.7917","0.0002","29.1099","0.0011","10.128","0.0008","90","","98.535","0.0016","90","","7519.8","0.7","150","1","150","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H50 B Cl Fe N2 O P2 -","- C39 H50 B Cl Fe N2 O P2 -","- C312 H400 B8 Cl8 Fe8 N16 O8 P16 -","8","2","","Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris","Low-Valent Ene-Amido Iron Complexes for the Asymmetric Transfer Hydrogenation of Acetophenone without Base","Journal of the American Chemical Society","2011","133","","9662","9665","10.1021/ja202375y","","","0.71073","MoKα","","0.1789","0.063","","","0.1165","0.1581","","","","","","0.958","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106322","12.674","0.005","7.919","0.002","18.528","0.007","90","","100.482","0.015","90","","1828.5","1.1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 F3 O4 -","- C21 H17 F3 O4 -","- C84 H68 F12 O16 -","4","1","","Daishi Fujino; Hideki Yorimitsu; Koichiro Oshima","Synthesis of Alkylidenecyclopropanes by Palladium-Catalyzed Reaction of Propargyl-Substituted Malonate Esters with Aryl Halides by Anti-carbopalladation Pathway","Journal of the American Chemical Society","2011","133","","9682","9685","10.1021/ja203062z","","","0.71075","MoKα","","0.0492","0.041","","","0.1095","0.115","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106323","12.47483","0.00015","16.8358","0.00007","9.7775","0.0003","90","","90","","90","","2053.51","0.07","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H27 O4 P W -","- C19 H27 O4 P W -","- C76 H108 O16 P4 W4 -","4","0.5","","Volodymyr Lyaskovskyy; Niels Elders; Andreas W. Ehlers; Martin Lutz; J. Chris Slootweg; Koop Lammertsma","Remarkable Metal-Complexed Phosphorus Analogues of the Cyclopropenylcarbene-Cyclobutadiene Rearrangement","Journal of the American Chemical Society","2011","133","","9704","9707","10.1021/ja203083c","","","0.71073","MoKα","","0.0144","0.0113","","","0.0237","0.0246","","","","","","1.193","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106324","9.2927","0.0004","13.0702","0.0005","16.0005","0.0009","98.187","0.002","90.054","0.002","93.899","0.003","1919.01","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Fe O3 P -","- C18 H27 Fe O3 P -","- C72 H108 Fe4 O12 P4 -","4","2","","Volodymyr Lyaskovskyy; Niels Elders; Andreas W. Ehlers; Martin Lutz; J. Chris Slootweg; Koop Lammertsma","Remarkable Metal-Complexed Phosphorus Analogues of the Cyclopropenylcarbene-Cyclobutadiene Rearrangement","Journal of the American Chemical Society","2011","133","","9704","9707","10.1021/ja203083c","","","0.71073","MoKα","","0.0669","0.0357","","","0.0689","0.0786","","","","","","1.042","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106325","8.4946","0.0015","9.3522","0.0016","14.843","0.003","87.096","0.002","83.984","0.002","75.395","0.002","1134.4","0.4","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N3 S3 Zn -","- C23 H21 N3 S3 Zn -","- C46 H42 N6 S6 Zn2 -","2","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.0599","0.0371","","","0.075","0.0838","","","","","","1.028","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106326","9.174","0.007","14.901","0.011","27.65","0.02","90","","90","","90","","3780","5","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N3 S3 Zn -","- C17 H15 N3 S3 Zn -","- C136 H120 N24 S24 Zn8 -","8","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.0829","0.0415","","","0.0884","0.1022","","","","","","1.018","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106327","32.946","0.003","9.1119","0.0009","13.916","0.0014","90","","101.273","0.002","90","","4097","0.7","125","2","125","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 N4 O S3 Zn -","- C20 H15 N4 O S3 Zn -","- C160 H120 N32 O8 S24 Zn8 -","8","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.0875","0.0504","","","0.1204","0.1356","","","","","","1.188","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106328","14.0412","0.0009","14.5162","0.001","9.1317","0.0006","90","","96.085","0.001","90","","1850.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N3 O2 S3 Zn -","- C17 H13 N3 O2 S3 Zn -","- C68 H52 N12 O8 S12 Zn4 -","4","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.0476","0.0321","","","0.0754","0.0819","","","","","","1.03","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106329","13.598","0.003","9.344","0.002","13.935","0.003","90","","90","","90","","1770.6","0.7","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H12 N6 S3 Zn -","- C16 H12 N6 S3 Zn -","- C64 H48 N24 S12 Zn4 -","4","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.0577","0.0367","","","0.0697","0.0769","","","","","","1.01","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106330","9.378","0.0006","10.1829","0.0006","13.4332","0.0008","70.77","0.001","84.296","0.001","83.607","0.001","1201.01","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 N3 O2 S3 Zn -","- C24 H21 N3 O2 S3 Zn -","- C48 H42 N6 O4 S6 Zn2 -","2","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.0266","0.0239","","","0.0651","0.0668","","","","","","1.057","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106331","8.607","0.002","14.655","0.004","30.49","0.008","90","","90","","90","","3845.9","1.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N3 S3 Zn -","- C19 H16 N3 S3 Zn -","- C152 H128 N24 S24 Zn8 -","8","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.1075","0.0465","","","0.0834","0.1024","","","","","","1.001","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106332","11.443","0.0004","14.9679","0.0005","11.569","0.0004","90","","111.381","0.0019","90","","1845.13","0.11","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C72 H96 N8 O24 -","4","1","","Takuya Hashimoto; Hiroki Nakatsu; Kumiko Yamamoto; Keiji Maruoka","Chiral Brønsted Acid-Catalyzed Asymmetric Trisubstituted Aziridine Synthesis Using α-Diazoacyl Oxazolidinones","Journal of the American Chemical Society","2011","133","","9730","9733","10.1021/ja203901h","","","1.54187","CuKα","","","0.0525","","","","0.146","","","","","","1.037","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106333","7.4228","0.0013","17.014","0.003","22.026","0.004","90","","96.464","0.003","90","","2764","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H44 O Si -","- C31 H44 O Si -","- C124 H176 O4 Si4 -","4","2","","Surendra, Karavadhi; Qiu, Wenwei; Corey, E. J.","A Powerful New Construction of Complex Chiral Polycycles by an Indium(III)-Catalyzed Cationic Cascade","Journal of the American Chemical Society","2011","133","25","9724","9726","10.1021/ja204142n","","","0.71073","MoKα","","0.0566","0.0428","","","0.0893","0.0959","","","","","","1.02","","","","has coordinates","219273","2020-10-21","18:00:00",""
"4106334","11.062","0.004","13.329","0.005","13.883","0.005","89.968","0.006","87.718","0.006","74.061","0.006","1966.6","1.2","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H45 B Cl3 Ir N2 -","- C46.5 H45 B Cl3 Ir N2 -","- C93 H90 B2 Cl6 Ir2 N4 -","2","1","","Janeth Navarro; Olga Torres; Marta Martín; Eduardo Sola","Iridium Complexes of the Doubly Cyclometalated NHC Ligand IMes''","Journal of the American Chemical Society","2011","133","","9738","9740","10.1021/ja204522e","","","0.71073","MoKα","","0.0673","0.0449","","","0.067","0.072","","","","","","0.832","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106335","33.9769","0.0015","13.1349","0.0006","13.8166","0.0006","90","0.001","109.442","0.001","90","0.001","5814.5","0.4","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H31 F6 Ir N5 P -","- C27 H31 F6 Ir N5 P -","- C216 H248 F48 Ir8 N40 P8 -","8","1","","Janeth Navarro; Olga Torres; Marta Martín; Eduardo Sola","Iridium Complexes of the Doubly Cyclometalated NHC Ligand IMes''","Journal of the American Chemical Society","2011","133","","9738","9740","10.1021/ja204522e","","","0.71073","MoKα","","0.0564","0.0364","","","0.0613","0.0653","","","","","","0.897","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106336","7.0412","0.0004","10.3913","0.0007","40.539","0.003","97.167","0.002","90.431","0.002","109.311","0.001","2773.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H37 B2 F6 K2 N3 -","- C23 H37 B2 F6 K2 N3 -","- C92 H148 B8 F24 K8 N12 -","4","2","","Jin-Kyun Lee; Michael C. Gwinner; Reinhard Berger; Carol Newby; Rudolf Zentel; Richard H. Friend; Henning Sirringhaus; Christopher K. Ober","High-Performance Electron-Transporting Polymers Derived from a Heteroaryl Bis(trifluoroborate)","Journal of the American Chemical Society","2011","133","","9949","9951","10.1021/ja201485p","","","0.71073","MoKα","","0.0669","0.0423","","","0.0945","0.1061","","","","","","0.989","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4106337","16.7036","0.0009","16.7036","0.0009","20.765","0.002","90","","90","","90","","5793.6","0.7","296","2","296","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- C58 H34 N6 O9 Zn3 -","- C58 H34 N6 O9 Zn3 -","- C116 H68 N12 O18 Zn6 -","2","0.125","","Brandon J. Burnett; Paul M. Barron; Chunhua Hu; Wonyoung Choe","Stepwise Synthesis of Metal-Organic Frameworks: Replacement of Structural Organic Linkers","Journal of the American Chemical Society","2011","133","","9984","9987","10.1021/ja201911v","","","0.71073","MoKα","","0.0875","0.0654","","","0.16","0.17","","","","","","1.006","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106338","12.44","0.01","12.594","0.01","12.697","0.01","90","","100.954","0.014","90","","1953","3","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H23 F3 N2 O2 -","- C21 H23 F3 N2 O2 -","- C84 H92 F12 N8 O8 -","4","4","","G. K. Surya Prakash; Fang Wang; Chuanfa Ni; Jingguo Shen; Ralf Haiges; Andrei K. Yudin; Thomas Mathew; George A. Olah","Conformational Study of 9-Dehydro-9-Trifluoromethyl Cinchona Alkaloids via 19F NMR Spectroscopy: Emergence of Trifluoromethyl Moiety as a Conformational Stabilizer and a Probe","Journal of the American Chemical Society","2011","133","","9992","9995","10.1021/ja202373d","","","0.71073","MoKα","","0.1818","0.0513","","","0.0878","0.1196","","","","","","0.705","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106339","8.293","0.002","8.115","0.002","12.531","0.003","90","","95.021","0.004","90","","840.1","0.4","143","2","143","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C40 H44 N4 O4 -","2","1","","G. K. Surya Prakash; Fang Wang; Chuanfa Ni; Jingguo Shen; Ralf Haiges; Andrei K. Yudin; Thomas Mathew; George A. Olah","Conformational Study of 9-Dehydro-9-Trifluoromethyl Cinchona Alkaloids via 19F NMR Spectroscopy: Emergence of Trifluoromethyl Moiety as a Conformational Stabilizer and a Probe","Journal of the American Chemical Society","2011","133","","9992","9995","10.1021/ja202373d","","","0.71073","MoKα","","0.1113","0.0638","","","0.1257","0.147","","","","","","1.021","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106340","9.178","0.003","9.178","0.003","9.675","0.002","90","","90","","90","","815","0.4","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Hexathallium Tetraiodide Selenide","","- I4 Se Tl6 -","- I4 Se Tl6 -","- I8 Se2 Tl12 -","2","0.125","","Simon Johnsen; Zhifu Liu; John A. Peters; Jung-Hwan Song; Sandy Nguyen; Christos D. Malliakas; Hosub Jin; Arthur J. Freeman; Bruce W. Wessels; Mercouri G. Kanatzidis","Thallium Chalcohalides for X-ray and γ-ray Detection","Journal of the American Chemical Society","2011","133","","10030","10033","10.1021/ja202540t","","","","","","0.129","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106341","26.0742","0.0013","9.0076","0.0005","24.0854","0.0012","90","","111.493","0.001","90","","5263.5","0.5","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","AuBr(dppe)-0.5Et2O","","","- C56 H58 Au2 Br2 O P4 -","- C56 H58 Au2 Br2 O P4 -","- C224 H232 Au8 Br8 O4 P16 -","4","0.5","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.0552","0.0314","","","0.0635","0.0713","","","","","","1.058","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106342","10.6725","0.0004","23.1389","0.0009","11.7127","0.0005","90","","106.416","0.004","90","","2774.5","0.2","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[AuBr(dppe)]2 .2DMSO","","","- C56 H60 Au2 Br2 O2 P4 S2 -","- C56 H60 Au2 Br2 O2 P4 S2 -","- C112 H120 Au4 Br4 O4 P8 S4 -","2","0.5","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.0508","0.0264","","","0.0475","0.0555","","","","","","1.031","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106343","10.7883","0.0004","22.4579","0.0008","11.6966","0.0004","90","","108.544","0.004","90","","2686.75","0.18","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[AuBr(dppe)]2 .2CH2Cl2","","","- C54 H52 Au2 Br2 Cl4 P4 -","- C54 H52 Au2 Br2 Cl4 P4 -","- C108 H104 Au4 Br4 Cl8 P8 -","2","0.5","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.0302","0.0225","","","0.051","0.0549","","","","","","0.986","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106344","9.1275","0.0004","12.0795","0.0005","13.7259","0.0006","67.432","0.003","71.848","0.003","83.965","0.004","1327.75","0.11","90","2","90","2","","","","","","","","6","P -1","-P 1","2","[Au(dppe)Br]-CH2Cl2","","","- C27 H26 Au Br Cl2 P2 -","- C27 H26 Au Br Cl2 P2 -","- C54 H52 Au2 Br2 Cl4 P4 -","2","1","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.0381","0.0323","","","0.0808","0.0832","","","","","","1.08","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106345","11.8336","0.0004","14.4702","0.0005","15.2751","0.0005","77.09","0.002","78.172","0.002","80.294","0.003","2474.62","0.15","90","2","90","2","","","","","","","","6","P -1","-P 1","2","[Au2(dppe)2Br2].CH3CN","","","- C54 H51 Au2 Br2 N P4 -","- C54 H51 Au2 Br2 N P4 -","- C108 H102 Au4 Br4 N2 P8 -","2","1","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.019","0.0166","","","0.0398","0.0406","","","","","","1.023","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106346","11.0206","0.001","11.6968","0.0011","12.2211","0.0011","103.357","0.002","101.085","0.002","109.337","0.002","1382.9","0.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","[AuBr(dppe)]2.2(DMF)","","","- C58 H62 Au2 Br2 N2 O2 P4 -","- C58 H62 Au2 Br2 N2 O2 P4 -","- C58 H62 Au2 Br2 N2 O2 P4 -","1","0.5","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.0273","0.021","","","0.0462","0.0488","","","","","","1.002","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106347","10.776","0.002","22.739","0.004","11.738","0.002","90","","106.848","0.003","90","","2752.8","0.8","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[AuBr(dppe)]2.2acetone","","","- C58 H60 Au2 Br2 O2 P4 -","- C58 H60 Au2 Br2 O2 P4 -","- C116 H120 Au4 Br4 O4 P8 -","2","0.5","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.0294","0.0206","","","0.0422","0.0444","","","","","","1.032","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106348","11.753","0.0003","14.4241","0.0003","15.4879","0.0003","76.55","0.003","77.6","0.003","79.6","0.003","2470.35","0.1","90","2","90","2","","","","","","","","6","P -1","-P 1","2","AuBr(dppe)-Et2O","","","- C108 H106 Au4 Br4 O P8 -","- C108 H106 Au4 Br4 O P8 -","- C108 H106 Au4 Br4 O P8 -","1","0.5","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.0328","0.0228","","","0.0439","0.0463","","","","","","1.013","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106349","37.841","0.005","37.841","0.005","15.799","0.003","90","","90","","120","","19592","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C160 H112 Cl24 N32 Zn12 -","- C160 H112 Cl24 N32 Zn12 -","- C480 H336 Cl72 N95.9999 Zn36 -","3","0.166667","","Johanna Heine; Jörn Schmedt auf der Günne; Stefanie Dehnen","Formation of a Strandlike Polycatenane of Icosahedral Cages for Reversible One-Dimensional Encapsulation of Guests","Journal of the American Chemical Society","2011","133","","10018","10021","10.1021/ja2030273","","","0.71073","MoKα","","0.2079","0.0811","","","0.2041","0.2312","","","","","","0.854","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106350","32.668","0.003","14.4026","0.0007","31.108","0.003","90","","100.533","0.007","90","","14390","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Cl6 N12 Zn3 -","- C36 H24 Cl6 N12 Zn3 -","- C288 H192 Cl48 N96 Zn24 -","8","1","","Johanna Heine; Jörn Schmedt auf der Günne; Stefanie Dehnen","Formation of a Strandlike Polycatenane of Icosahedral Cages for Reversible One-Dimensional Encapsulation of Guests","Journal of the American Chemical Society","2011","133","","10018","10021","10.1021/ja2030273","","","0.71073","MoKα","","0.2307","0.0507","","","0.0654","0.085","","","","","","0.498","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106351","9.7312","0.0019","11.277","0.002","18.98","0.004","90","","103.29","0.03","90","","2027.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 I2 N4 Zn -","- C20 H14 I2 N4 Zn -","- C80 H56 I8 N16 Zn4 -","4","1","","Johanna Heine; Jörn Schmedt auf der Günne; Stefanie Dehnen","Formation of a Strandlike Polycatenane of Icosahedral Cages for Reversible One-Dimensional Encapsulation of Guests","Journal of the American Chemical Society","2011","133","","10018","10021","10.1021/ja2030273","","","0.71073","MoKα","","0.1717","0.0726","","","0.1471","0.171","","","","","","0.839","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106352","11.236","0.002","24.92","0.005","12.206","0.002","90","","117.21","0.03","90","","3039.5","1.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 B F16 P -","- C30 H28 B F16 P -","- C120 H112 B4 F64 P4 -","4","1","","Adam J. V. Marwitz; Jason L. Dutton; Lauren G. Mercier; Warren E. Piers","Dihydrogen Activation witht Bu3P/B(C6F5)3: A Chemically Competent Indirect Mechanism via in Situ-Generated p-tBu2P-C6F4-B(C6F5)2","Journal of the American Chemical Society","2011","133","","10026","10029","10.1021/ja203214f","","","0.71073","MoKα","","0.0928","0.0696","","","0.1231","0.1342","","","","","","1.147","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106353","26.224","0.005","4.8977","0.0009","15.896","0.003","90","","97.271","0.003","90","","2025.2","0.7","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Br2 -","- C22 H30 Br2 -","- C88 H120 Br8 -","4","1","","Elizabeth Amir; Roey J. Amir; Luis M. Campos; Craig J. Hawker","Stimuli-Responsive Azulene-Based Conjugated Oligomers with Polyaniline-like Properties","Journal of the American Chemical Society","2011","133","","10046","10049","10.1021/ja203267g","","","0.71073","MoKα","","0.1253","0.0576","","","0.1249","0.1627","","","","","","1.122","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106354","9.7574","0.0007","14.7261","0.001","14.4347","0.001","90","","104.03","0.004","90","","2012.2","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Br2 -","- C11 H6.5 Br2 -","- C88 H52 Br16 -","8","2","","Elizabeth Amir; Roey J. Amir; Luis M. Campos; Craig J. Hawker","Stimuli-Responsive Azulene-Based Conjugated Oligomers with Polyaniline-like Properties","Journal of the American Chemical Society","2011","133","","10046","10049","10.1021/ja203267g","","","1.54178","CuKα","","0.0739","0.0697","","","0.1758","0.1811","","","","","","1.121","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106355","17.753","0.004","8.1082","0.0016","23.17","0.005","90","","101.19","0.03","90","","3271.8","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C61 H60 Cl2 N2 O21 -","- C61 H60 Cl2 N2 O21 -","- C122 H120 Cl4 N4 O42 -","2","1","","David L. Sloman; Jeffrey W. Bacon; John A. Porco","Total Synthesis and Absolute Stereochemical Assignment of Kibdelone C","Journal of the American Chemical Society","2011","133","","9952","9955","10.1021/ja203642n","","","1.54178","CuKα","","0.1068","0.0853","","","0.2271","0.2474","","","","","","1.038","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106356","10.8945","0.0006","9.8099","0.0005","13.8138","0.0009","90","","110.216","0.003","90","","1385.39","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H26 Br I O6 -","- C29 H26 Br I O6 -","- C58 H52 Br2 I2 O12 -","2","1","","David L. Sloman; Jeffrey W. Bacon; John A. Porco","Total Synthesis and Absolute Stereochemical Assignment of Kibdelone C","Journal of the American Chemical Society","2011","133","","9952","9955","10.1021/ja203642n","","","0.71073","MoKα","","0.0397","0.0309","","","0.0713","0.0752","","","","","","1.037","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106357","9.5376","0.0012","14.4981","0.0015","19.919","0.002","90","","95.283","0.003","90","","2742.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 N4 O7 -","- C30 H26 N4 O5 -","- C120 H104 N16 O20 -","4","1","","Xiangbing Qi; Hongli Bao; Uttam K. Tambar","Total Synthesis of (\±)-Trigonoliimine C via Oxidative Rearrangement of an Unsymmetrical Bis-Tryptamine","Journal of the American Chemical Society","2011","133","","10050","10053","10.1021/ja203960b","","","0.71074","MoKα","","0.0926","0.0721","","","0.1832","0.1941","","","","","","1.075","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106358","9.934","0.002","10.977","0.002","14.781","0.003","101.908","0.005","92.052","0.005","112.872","0.005","1441","0.5","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 Cl2 N4 O5 -","- C31 H28 Cl2 N4 O5 -","- C62 H56 Cl4 N8 O10 -","2","1","","Xiangbing Qi; Hongli Bao; Uttam K. Tambar","Total Synthesis of (\±)-Trigonoliimine C via Oxidative Rearrangement of an Unsymmetrical Bis-Tryptamine","Journal of the American Chemical Society","2011","133","","10050","10053","10.1021/ja203960b","","","0.71075","MoKα","","0.1969","0.0794","","","0.1541","0.193","","","","","","1.013","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106359","23.75","0.0007","8.4366","0.0003","17.2033","0.0005","90","","108.97","0.001","90","","3259.8","0.18","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H53 Ge N2 -","- C35 H53 Ge N2 -","- C140 H212 Ge4 N8 -","4","0.5","","William D. Woodul; Emma Carter; Robert Müller; Anne F. Richards; Andreas Stasch; Martin Kaupp; Damien M. Murphy; Matthias Driess; Cameron Jones","A Neutral, Monomeric Germanium(I) Radical","Journal of the American Chemical Society","2011","133","","10074","10077","10.1021/ja204344e","","","0.71073","MoKα","","0.0347","0.0322","","","0.0758","0.0769","","","","","","1.107","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106360","10.7845","0.0003","21.0658","0.0005","28.4655","0.0007","90","","90","","90","","6466.9","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H54 Ge N2 -","- C35 H54 Ge N2 -","- C280 H432 Ge8 N16 -","8","1","","William D. Woodul; Emma Carter; Robert Müller; Anne F. Richards; Andreas Stasch; Martin Kaupp; Damien M. Murphy; Matthias Driess; Cameron Jones","A Neutral, Monomeric Germanium(I) Radical","Journal of the American Chemical Society","2011","133","","10074","10077","10.1021/ja204344e","","","0.71073","MoKα","","0.1707","0.0668","","","0.1451","0.1825","","","","","","1.013","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106361","12.668","0.003","18.474","0.004","18.756","0.004","118.73","0.03","92.63","0.03","100.38","0.03","3741","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H53 F3 N2 O3 S Sn -","- C36 H53 F3 N2 O3 S Sn -","- C144 H212 F12 N8 O12 S4 Sn4 -","4","2","","William D. Woodul; Emma Carter; Robert Müller; Anne F. Richards; Andreas Stasch; Martin Kaupp; Damien M. Murphy; Matthias Driess; Cameron Jones","A Neutral, Monomeric Germanium(I) Radical","Journal of the American Chemical Society","2011","133","","10074","10077","10.1021/ja204344e","","","0.71073","MoKα","","0.0716","0.0385","","","0.0657","0.0755","","","","","","1.04","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106362","13.924","0.003","20.046","0.004","24.386","0.005","90","","90.09","0.03","90","","6807","2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H94 Cl Ge Mg2 N6 -","- C72 H94 Cl Ge Mg2 N6 -","- C288 H376 Cl4 Ge4 Mg8 N24 -","4","1","","William D. Woodul; Emma Carter; Robert Müller; Anne F. Richards; Andreas Stasch; Martin Kaupp; Damien M. Murphy; Matthias Driess; Cameron Jones","A Neutral, Monomeric Germanium(I) Radical","Journal of the American Chemical Society","2011","133","","10074","10077","10.1021/ja204344e","","","0.71073","MoKα","","0.1395","0.0617","","","0.1104","0.1329","","","","","","1.014","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106363","14.666","0.0016","10.4157","0.0012","16.7525","0.0018","90","","113.904","0.002","90","","2339.6","0.4","223.1","","223","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H29 F3 Ir N O5 -","- C20 H29 F3 Ir N O5 -","- C80 H116 F12 Ir4 N4 O20 -","4","1","","Nathan D. Schley; James D. Blakemore; Navaneetha K. Subbaiyan; Christopher D. Incarvito; Francis D'Souza; Robert H. Crabtree; Gary W. Brudvig","Distinguishing Homogeneous from Heterogeneous Catalysis in Electrode-Driven Water Oxidation with Molecular Iridium Complexes","Journal of the American Chemical Society","2011","133","","10473","10481","10.1021/ja2004522","","","0.71075","MoKα","","","0.0471","","","","0.0647","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106364","17.8157","0.0013","8.8933","0.0007","20.7581","0.0016","90","","91.952","0.006","90","","3287","0.4","223","","223","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H25 Ir O9 S -","- C10 H25 Ir O9 S -","- C80 H200 Ir8 O72 S8 -","8","1","","Nathan D. Schley; James D. Blakemore; Navaneetha K. Subbaiyan; Christopher D. Incarvito; Francis D'Souza; Robert H. Crabtree; Gary W. Brudvig","Distinguishing Homogeneous from Heterogeneous Catalysis in Electrode-Driven Water Oxidation with Molecular Iridium Complexes","Journal of the American Chemical Society","2011","133","","10473","10481","10.1021/ja2004522","","","0.71075","MoKα","","","0.055","","","","0.0772","","","","","","1.126","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106365","11.059","0.0003","12.0323","0.0003","15.5916","0.0004","90","","90","","90","","2074.7","0.09","93.1","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Cl Ir N O3 -","- C20 H29 Cl Ir N O3 -","- C80 H116 Cl4 Ir4 N4 O12 -","4","1","","Nathan D. Schley; James D. Blakemore; Navaneetha K. Subbaiyan; Christopher D. Incarvito; Francis D'Souza; Robert H. Crabtree; Gary W. Brudvig","Distinguishing Homogeneous from Heterogeneous Catalysis in Electrode-Driven Water Oxidation with Molecular Iridium Complexes","Journal of the American Chemical Society","2011","133","","10473","10481","10.1021/ja2004522","","","0.71075","MoKα","","","0.0265","","","","0.05","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106366","16.51","0.003","14.417","0.003","14.91","0.003","90","","90","","90","","3548.9","1.2","173","2","173","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C88 H64 Cu4 F24 N16 O24 S8 -","4","0.5","","Atsushi Kondo; Hiroshi Kajiro; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Kenichi Kato; Masaki Takata; Hiroko Seki; Masami Sakamoto; Yoshiyuki Hattori; Fujio Okino; Kazuyuki Maeda; Tomonori Ohba; Katsumi Kaneko; Hirofumi Kanoh","Super Flexibility of a 2D Cu-Based Porous Coordination Framework on Gas Adsorption in Comparison with a 3D Framework of Identical Composition: Framework Dimensionality-Dependent Gas Adsorptivities","Journal of the American Chemical Society","2011","133","","10512","10522","10.1021/ja201170c","","","0.71073","MoKα","","0.1096","0.0704","","0.2133","0.1965","","","","1.072","","","","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106367","28.5955","0.0013","28.5955","0.0013","18.0782","0.0008","90","","90","","90","","14782.6","1.2","173","2","173","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C352 H256 Cu16 F96 N64 O96 S32 -","16","0.5","","Atsushi Kondo; Hiroshi Kajiro; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Kenichi Kato; Masaki Takata; Hiroko Seki; Masami Sakamoto; Yoshiyuki Hattori; Fujio Okino; Kazuyuki Maeda; Tomonori Ohba; Katsumi Kaneko; Hirofumi Kanoh","Super Flexibility of a 2D Cu-Based Porous Coordination Framework on Gas Adsorption in Comparison with a 3D Framework of Identical Composition: Framework Dimensionality-Dependent Gas Adsorptivities","Journal of the American Chemical Society","2011","133","","10512","10522","10.1021/ja201170c","","","0.71073","MoKα","","0.1069","0.0871","","0.2542","0.2398","","","","1.063","","","","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106368","28.564","0.002","28.564","0.002","18.2725","0.0013","90","","90","","90","","14908.6","1.8","173","2","173","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C352 H256 Cu16 F96 N64 O96 S32 -","16","0.5","","Atsushi Kondo; Hiroshi Kajiro; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Kenichi Kato; Masaki Takata; Hiroko Seki; Masami Sakamoto; Yoshiyuki Hattori; Fujio Okino; Kazuyuki Maeda; Tomonori Ohba; Katsumi Kaneko; Hirofumi Kanoh","Super Flexibility of a 2D Cu-Based Porous Coordination Framework on Gas Adsorption in Comparison with a 3D Framework of Identical Composition: Framework Dimensionality-Dependent Gas Adsorptivities","Journal of the American Chemical Society","2011","133","","10512","10522","10.1021/ja201170c","","","0.71073","MoKα","","0.0973","0.0899","","0.2636","0.2572","","","","1.044","","","","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106369","28.546","0.004","28.546","0.004","18.064","0.004","90","","90","","90","","14720","4","183","2","183","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C352 H256 Cu16 F96 N64 O96 S32 -","16","0.5","","Atsushi Kondo; Hiroshi Kajiro; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Kenichi Kato; Masaki Takata; Hiroko Seki; Masami Sakamoto; Yoshiyuki Hattori; Fujio Okino; Kazuyuki Maeda; Tomonori Ohba; Katsumi Kaneko; Hirofumi Kanoh","Super Flexibility of a 2D Cu-Based Porous Coordination Framework on Gas Adsorption in Comparison with a 3D Framework of Identical Composition: Framework Dimensionality-Dependent Gas Adsorptivities","Journal of the American Chemical Society","2011","133","","10512","10522","10.1021/ja201170c","","","0.71073","MoKα","","0.1324","0.0992","","0.2754","0.2606","","","","1.081","","","","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106370","10.7441","0.0002","12.8452","0.0002","16.0582","0.0004","99.988","0.001","99.343","0.001","112.382","0.001","1953.68","0.07","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H32 B F8 Ir N8 -","- C42 H32 B F8 Ir N8 -","- C84 H64 B2 F16 Ir2 N16 -","2","1","","Jesús M. Fernández-Hernández; Cheng-Han Yang; Juan I. Beltrán; Vincent Lemaur; Federico Polo; Roland Fröhlich; Jêrôme Cornil; Luisa De Cola","Control of the Mutual Arrangement of Cyclometalated Ligands in Cationic Iridium(III) Complexes. Synthesis, Spectroscopy, and Electroluminescence of the Different Isomers","Journal of the American Chemical Society","2011","133","","10543","10558","10.1021/ja201691b","","","0.71073","MoKα","","0.0483","0.0432","","","0.1","0.1049","","","","","","1.011","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106371","11.0372","0.0003","12.6438","0.0004","12.8273","0.0005","84.336","0.002","84.36","0.001","89.064","0.003","1772.67","0.1","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H29 Cl F4 Ir N9 -","- C36 H29 Cl F4 Ir N9 -","- C72 H58 Cl2 F8 Ir2 N18 -","2","1","","Jesús M. Fernández-Hernández; Cheng-Han Yang; Juan I. Beltrán; Vincent Lemaur; Federico Polo; Roland Fröhlich; Jêrôme Cornil; Luisa De Cola","Control of the Mutual Arrangement of Cyclometalated Ligands in Cationic Iridium(III) Complexes. Synthesis, Spectroscopy, and Electroluminescence of the Different Isomers","Journal of the American Chemical Society","2011","133","","10543","10558","10.1021/ja201691b","","","0.71073","MoKα","","0.092","0.0876","","","0.2568","0.2625","","","","","","1.084","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106372","12.2919","0.0007","15.2576","0.0006","18.8846","0.0011","72.215","0.002","81.976","0.003","73.821","0.004","3233.1","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H40 Cl2 F8 Ir2 N12 -","- C60 H40 Cl2 F8 Ir2 N12 -","- C120 H80 Cl4 F16 Ir4 N24 -","2","1","","Jesús M. Fernández-Hernández; Cheng-Han Yang; Juan I. Beltrán; Vincent Lemaur; Federico Polo; Roland Fröhlich; Jêrôme Cornil; Luisa De Cola","Control of the Mutual Arrangement of Cyclometalated Ligands in Cationic Iridium(III) Complexes. Synthesis, Spectroscopy, and Electroluminescence of the Different Isomers","Journal of the American Chemical Society","2011","133","","10543","10558","10.1021/ja201691b","","","1.54178","CuKα","","0.0693","0.0557","","","0.1495","0.1568","","","","","","1.061","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106373","13.736","0.0002","15.4417","0.0002","19.8877","0.0003","90","","105.825","0.001","90","","4058.45","0.1","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H36 F10 Ir N8 O P -","- C43 H36 F10 Ir N8 O P -","- C172 H144 F40 Ir4 N32 O4 P4 -","4","1","","Jesús M. Fernández-Hernández; Cheng-Han Yang; Juan I. Beltrán; Vincent Lemaur; Federico Polo; Roland Fröhlich; Jêrôme Cornil; Luisa De Cola","Control of the Mutual Arrangement of Cyclometalated Ligands in Cationic Iridium(III) Complexes. Synthesis, Spectroscopy, and Electroluminescence of the Different Isomers","Journal of the American Chemical Society","2011","133","","10543","10558","10.1021/ja201691b","","","0.71073","MoKα","","0.0837","0.0621","","","0.1395","0.1564","","","","","","1.042","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106374","13.0906","0.0003","25.0294","0.0005","19.5896","0.0005","90","","91.78","0.001","90","","6415.4","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl F4 Ir N7 O0.5 -","- C34 H28 Cl F4 Ir N7 O0.5 -","- C272 H224 Cl8 F32 Ir8 N56 O4 -","8","2","","Jesús M. Fernández-Hernández; Cheng-Han Yang; Juan I. Beltrán; Vincent Lemaur; Federico Polo; Roland Fröhlich; Jêrôme Cornil; Luisa De Cola","Control of the Mutual Arrangement of Cyclometalated Ligands in Cationic Iridium(III) Complexes. Synthesis, Spectroscopy, and Electroluminescence of the Different Isomers","Journal of the American Chemical Society","2011","133","","10543","10558","10.1021/ja201691b","","","0.71073","MoKα","","0.1161","0.099","","","0.2538","0.2662","","","","","","1.215","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106375","13.328","0.0009","17.0039","0.0012","20.3398","0.0014","87.468","0.001","74.133","0.001","73.729","0.001","4253.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C105.55 H88.69 Fe2 N2 O9 S -","- C105.551 H88.694 Fe2 N2 O9 S -","- C211.102 H177.388 Fe4 N4 O18 S2 -","2","1","","Loi H. Do; Stephen J. Lippard","Toward Functional Carboxylate-Bridged Diiron Protein Mimics: Achieving Structural Stability and Conformational Flexibility Using a Macrocylic Ligand Framework","Journal of the American Chemical Society","2011","133","","10568","10581","10.1021/ja2021312","","","0.71073","MoKα","","0.082","0.047","","","0.0906","0.1029","","","","","","1.016","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106376","15.1504","0.0018","17.19","0.002","17.956","0.002","117.07","0.002","92.599","0.002","108.544","0.002","3846.5","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C91.38 H82.57 Cl0.83 Fe2 N2 O9 S -","- C91.385 H82.579 Cl0.83 Fe2 N2 O9 S -","- C182.77 H165.158 Cl1.66 Fe4 N4 O18 S2 -","2","1","","Loi H. Do; Stephen J. Lippard","Toward Functional Carboxylate-Bridged Diiron Protein Mimics: Achieving Structural Stability and Conformational Flexibility Using a Macrocylic Ligand Framework","Journal of the American Chemical Society","2011","133","","10568","10581","10.1021/ja2021312","","","0.71073","MoKα","","0.1152","0.0982","","","0.2493","0.2622","","","","","","1.076","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106377","16.6129","0.0008","20.5472","0.0009","21.677","0.0013","90","","107.376","0.001","90","","7061.7","0.6","110","2","110","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C66.91 H57 Ag Cl9.82 Fe2 N2 O17 S -","- C66.9124 H57 Ag Cl9.8248 Fe2 N2 O17 S -","- C267.65 H228 Ag4 Cl39.2992 Fe8 N8 O68 S4 -","4","1","","Loi H. Do; Stephen J. Lippard","Toward Functional Carboxylate-Bridged Diiron Protein Mimics: Achieving Structural Stability and Conformational Flexibility Using a Macrocylic Ligand Framework","Journal of the American Chemical Society","2011","133","","10568","10581","10.1021/ja2021312","","","0.71073","MoKα","","0.0427","0.0402","","","0.1057","0.1082","","","","","","1.036","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106378","15.2273","0.0015","16.6307","0.0016","37.426","0.004","90","","92.975","0.002","90","","9465","1.6","446","2","446","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H96 Fe2 N2 O12 S -","- C120 H96 Fe2 N2 O12 S -","- C480 H384 Fe8 N8 O48 S4 -","4","1","","Loi H. Do; Stephen J. Lippard","Toward Functional Carboxylate-Bridged Diiron Protein Mimics: Achieving Structural Stability and Conformational Flexibility Using a Macrocylic Ligand Framework","Journal of the American Chemical Society","2011","133","","10568","10581","10.1021/ja2021312","","","0.71073","MoKα","","0.0609","0.0472","","","0.1245","0.1334","","","","","","1.04","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106379","14.2464","0.0008","15.8784","0.0009","19.3834","0.0011","66.385","0.001","69.752","0.001","64.301","0.001","3540.4","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C172 H148 Fe4 N4 O20 S2 -","- C172 H148 Fe4 N4 O20 S2 -","- C172 H148 Fe4 N4 O20 S2 -","1","0.5","","Loi H. Do; Stephen J. Lippard","Toward Functional Carboxylate-Bridged Diiron Protein Mimics: Achieving Structural Stability and Conformational Flexibility Using a Macrocylic Ligand Framework","Journal of the American Chemical Society","2011","133","","10568","10581","10.1021/ja2021312","","","0.71073","MoKα","","0.077","0.052","","","0.1198","0.1303","","","","","","1.079","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106380","12.2687","0.001","25.927","0.002","48.485","0.004","90","","90","","90","","15423","2","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C90 H72 Fe2 N5 O10.26 S -","- C90 H72 Fe2 N5 O10.253 S -","- C720 H576 Fe16 N40 O82.024 S8 -","8","1","","Loi H. Do; Stephen J. Lippard","Toward Functional Carboxylate-Bridged Diiron Protein Mimics: Achieving Structural Stability and Conformational Flexibility Using a Macrocylic Ligand Framework","Journal of the American Chemical Society","2011","133","","10568","10581","10.1021/ja2021312","","","0.71073","MoKα","","0.1159","0.0906","","","0.1851","0.1961","","","","","","1.19","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106381","9.1283","0.0014","13.111","0.002","15.352","0.002","110.235","0.002","97.621","0.001","101.275","0.003","1650.2","0.4","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H33 Cl4 Cu P2 -","- C35 H33 Cl4 Cu P2 -","- C70 H66 Cl8 Cu2 P4 -","2","1","","Masashi Hashimoto; Satoshi Igawa; Masataka Yashima; Isao Kawata; Mikio Hoshino; Masahisa Osawa","Highly Efficient Green Organic Light-Emitting Diodes Containing Luminescent Three-Coordinate Copper(I) Complexes","Journal of the American Chemical Society","2011","133","","10348","10351","10.1021/ja202965y","","","0.71073","MoKα","","0.0668","0.0588","","","0.158","0.1654","","","","","","1.101","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106382","9.0987","0.0012","12.9326","0.0019","13.1036","0.0018","81.81","0.006","72.852","0.005","80.989","0.006","1447.6","0.4","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Br Cu P2 -","- C34 H32 Br Cu P2 -","- C68 H64 Br2 Cu2 P4 -","2","1","","Masashi Hashimoto; Satoshi Igawa; Masataka Yashima; Isao Kawata; Mikio Hoshino; Masahisa Osawa","Highly Efficient Green Organic Light-Emitting Diodes Containing Luminescent Three-Coordinate Copper(I) Complexes","Journal of the American Chemical Society","2011","133","","10348","10351","10.1021/ja202965y","","","0.71073","MoKα","","0.0711","0.0497","","","0.115","0.1313","","","","","","0.957","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106383","15.1308","0.0016","11.0116","0.001","18.3409","0.0018","90","","102.835","0.002","90","","2979.5","0.5","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cu I P2 -","- C34 H32 Cu I P2 -","- C136 H128 Cu4 I4 P8 -","4","1","","Masashi Hashimoto; Satoshi Igawa; Masataka Yashima; Isao Kawata; Mikio Hoshino; Masahisa Osawa","Highly Efficient Green Organic Light-Emitting Diodes Containing Luminescent Three-Coordinate Copper(I) Complexes","Journal of the American Chemical Society","2011","133","","10348","10351","10.1021/ja202965y","","","0.71073","MoKα","","0.0422","0.0308","","","0.07","0.0772","","","","","","1.02","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106384","9.6087","0.0006","28.2031","0.0016","5.4415","0.0003","90","","90","","90","","1474.62","0.15","93","2","93","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H23 N O2 S -","- C15 H23 N O2 S -","- C60 H92 N4 O8 S4 -","4","1","","Stepan Chuprakov; Jamal A. Malik; Mikhail Zibinsky; Valery V. Fokin","Catalytic Asymmetric C-H Insertions of Rhodium(II) Azavinyl Carbenes","Journal of the American Chemical Society","2011","133","","10352","10355","10.1021/ja202969z","","","1.54178","CuKα","","0.0288","0.0281","","","0.0776","0.0783","","","","","","0.999","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106385","5.8072","0.0003","12.3826","0.0005","22.37","0.0009","90","","90","","90","","1608.59","0.12","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Br N O3 -","- C17 H20 Br N O3 -","- C68 H80 Br4 N4 O12 -","4","1","","Daniel A. DiRocco; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Enals with Nitroalkenes: Enhancement of Catalytic Efficiency through Bifunctional Additives","Journal of the American Chemical Society","2011","133","","10402","10405","10.1021/ja203810b","","","0.71073","MoKα","","0.0619","0.0379","","","0.0931","0.1594","","","","","","1.179","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106386","7.65","0.002","11.016","0.003","18.306","0.002","90","","94.81","0.01","90","","1537.3","0.6","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Yoshihiro Oonishi; Akihito Hosotani; Yoshihiro Sato","Rh(I)-Catalyzed Formal [6 + 2] Cycloaddition of 4-Allenals with Alkynes or Alkenes in a Tether","Journal of the American Chemical Society","2011","133","","10386","10389","10.1021/ja203824v","","","0.7107","MoKα","","","0.0499","","","","0.0713","","","","","","1.884","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106387","6.926","0.0002","20.9628","0.001","24.1363","0.0008","90","","90","","90","","3504.3","0.2","150","2","150","2","","","","","","","synthesis as described","3","P n a a","-P 2ac 2bc","56","","","","- C23 H23 N -","- C23 H23 N -","- C184 H184 N8 -","8","1","","Basker Sundararaju; Mathieu Achard; Gangavaram V. M. Sharma; Christian Bruneau","sp3 C-H Bond Activation with Ruthenium(II) Catalysts and C(3)-Alkylation of Cyclic Amines","Journal of the American Chemical Society","2011","133","","10340","10343","10.1021/ja203875d","","x-ray","0.71073","MoKα","","0.0609","0.0415","","","0.095","0.1055","","","","","","1.043","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106388","13.4976","0.0009","14.9955","0.0011","17.1276","0.0012","90","","90","","90","","3466.7","0.4","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H49 F Hf2 N2 -","- C38 H49 F Hf2 N2 -","- C152 H196 F4 Hf8 N8 -","4","0.5","","Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Silylation and Cleavage with a Hafnocene Complex","Journal of the American Chemical Society","2011","133","","10406","10409","10.1021/ja2042595","","","0.71073","MoKα","","0.0279","0.0199","","","0.0467","0.0495","","","","","","1.031","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106389","9.28","0.0019","18.39","0.004","23.14","0.005","90","","92.77","0.03","90","","3944.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H58 Hf2 N2 Si -","- C38 H58 Hf2 N2 Si -","- C152 H232 Hf8 N8 Si4 -","4","1","","Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Silylation and Cleavage with a Hafnocene Complex","Journal of the American Chemical Society","2011","133","","10406","10409","10.1021/ja2042595","","","0.71073","MoKα","","0.0245","0.0202","","","0.0472","0.0489","","","","","","1.024","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106390","11.4624","0.0008","20.4735","0.0014","17.7603","0.0014","90","","92.51","0.004","90","","4163.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H69 Hf2 N3 Si -","- C45 H69 Hf2 N3 Si -","- C180 H276 Hf8 N12 Si4 -","4","1","","Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Silylation and Cleavage with a Hafnocene Complex","Journal of the American Chemical Society","2011","133","","10406","10409","10.1021/ja2042595","","","0.71073","MoKα","","0.0494","0.0367","","","0.0824","0.0878","","","","","","1.054","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106391","41.29","0.006","9.5098","0.0013","19.378","0.003","90","","92.26","0.001","90","","7603","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H62 Hf2 N2 O1.5 Si -","- C41 H62 Hf2 N2 O1.5 Si -","- C328 H496 Hf16 N16 O12 Si8 -","8","1","","Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Silylation and Cleavage with a Hafnocene Complex","Journal of the American Chemical Society","2011","133","","10406","10409","10.1021/ja2042595","","","0.71073","MoKα","","0.0272","0.0175","","","0.0357","0.0386","","","","","","1.022","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4106392","15.8123","0.0017","10.6953","0.0012","20.997","0.002","90","","104.481","0.001","90","","3438.1","0.6","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H54 Fe I N2 O2 Sc Si2 -","- C30 H54 Fe I N2 O2 Sc Si2 -","- C120 H216 Fe4 I4 N8 O8 Sc4 Si8 -","4","0.5","","Wenliang Huang; Saeed I. Khan; Paula L. Diaconescu","Scandium Arene Inverted-Sandwich Complexes Supported by a Ferrocene Diamide Ligand","Journal of the American Chemical Society","2011","133","","10410","10413","10.1021/ja204304f","","","0.71073","MoKα","","0.0316","0.0257","","","0.0626","0.0656","","","","","","1.008","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106393","10.011","0.002","11.76","0.002","15.043","0.003","86.243","0.002","83.769","0.002","73.395","0.002","1686","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H100 Fe2 N4 Sc2 Si4 -","- C68 H100 Fe2 N4 Sc2 Si4 -","- C68 H100 Fe2 N4 Sc2 Si4 -","1","0.5","","Wenliang Huang; Saeed I. Khan; Paula L. Diaconescu","Scandium Arene Inverted-Sandwich Complexes Supported by a Ferrocene Diamide Ligand","Journal of the American Chemical Society","2011","133","","10410","10413","10.1021/ja204304f","","","0.71073","MoKα","","0.1105","0.0851","","","0.2043","0.2266","","","","","","1.004","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106394","26.691","0.007","16.168","0.004","32.429","0.011","90","","110.325","0.002","90","","13123","6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H86 Fe2 N4 Sc2 Si4 -","- C58 H86 Fe2 N4 Sc2 Si4 -","- C464 H688 Fe16 N32 Sc16 Si32 -","8","1","","Wenliang Huang; Saeed I. Khan; Paula L. Diaconescu","Scandium Arene Inverted-Sandwich Complexes Supported by a Ferrocene Diamide Ligand","Journal of the American Chemical Society","2011","133","","10410","10413","10.1021/ja204304f","","","0.71073","MoKα","","0.0649","0.0431","","","0.1071","0.1158","","","","","","1.029","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106395","16.272","0.003","16.272","0.003","28.578","0.005","90","","90","","90","","7567","2","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C70 H110 Fe2 N8 Sc2 Si4 -","- C70 H110 Fe2 N8 Sc2 Si4 -","- C280 H440 Fe8 N32 Sc8 Si16 -","4","0.5","","Wenliang Huang; Saeed I. Khan; Paula L. Diaconescu","Scandium Arene Inverted-Sandwich Complexes Supported by a Ferrocene Diamide Ligand","Journal of the American Chemical Society","2011","133","","10410","10413","10.1021/ja204304f","","","0.71073","MoKα","","0.0605","0.0391","","","0.0888","0.0995","","","","","","1.019","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106396","12.059","0.002","12.249","0.002","24.195","0.004","77.809","0.002","89.552","0.002","62.914","0.002","3094.1","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H86 Fe2 N4 Sc2 Si4 -","- C60 H86 Fe2 N4 Sc2 Si4 -","- C120 H172 Fe4 N8 Sc4 Si8 -","2","1","","Wenliang Huang; Saeed I. Khan; Paula L. Diaconescu","Scandium Arene Inverted-Sandwich Complexes Supported by a Ferrocene Diamide Ligand","Journal of the American Chemical Society","2011","133","","10410","10413","10.1021/ja204304f","","","0.71073","MoKα","","0.0859","0.0649","","","0.1767","0.1938","","","","","","1.037","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106397","6.2292","0.0004","13.004","0.0008","15.5592","0.001","90","","97.069","0.004","90","","1250.79","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","2","","Charles P. Frazier; Jarred R. Engelking; Javier Read de Alaniz","Copper-Catalyzed Aerobic Oxidation of Hydroxamic Acids Leads to a Mild and Versatile Acylnitroso Ene Reaction","Journal of the American Chemical Society","2011","133","","10430","10433","10.1021/ja204603u","","","1.54178","CuKα","","0.0609","0.0603","","","0.1657","0.1662","","","","","","2.515","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106398","9.881","0.002","9.6458","0.0019","13.423","0.003","90","","97.27","0.03","90","","1269.1","0.5","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H20 Cl4 -","- C32 H20 Cl4 -","- C64 H40 Cl8 -","2","1","","Zhong-Ke Yao; Zhi-Xiang Yu","Mechanisms of the Thermal Cyclotrimerizations of Fluoro- and Chloroacetylenes: Density Functional Theory Investigation and Intermediate Trapping Experiments","Journal of the American Chemical Society","2011","133","","10864","10877","10.1021/ja2021476","","","0.71073","MoKα","","0.0373","0.0345","","","0.0935","0.1043","","","","","","1.176","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106399","6.1198","0.0012","14.968","0.003","20.82","0.004","90","","92.52","0.03","90","","1905.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl2 O4 -","- C22 H16 Cl2 O4 -","- C88 H64 Cl8 O16 -","4","1","","Zhong-Ke Yao; Zhi-Xiang Yu","Mechanisms of the Thermal Cyclotrimerizations of Fluoro- and Chloroacetylenes: Density Functional Theory Investigation and Intermediate Trapping Experiments","Journal of the American Chemical Society","2011","133","","10864","10877","10.1021/ja2021476","","","0.71073","MoKα","","0.048","0.0434","","","0.1105","0.1138","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106400","13.834","0.003","17.699","0.004","10.49","0.002","90","","130.56","0.03","90","","1951.3","1.1","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H7.5 Cl1.5 -","- C12 H7.5 Cl1.5 -","- C96 H60 Cl12 -","8","1","","Zhong-Ke Yao; Zhi-Xiang Yu","Mechanisms of the Thermal Cyclotrimerizations of Fluoro- and Chloroacetylenes: Density Functional Theory Investigation and Intermediate Trapping Experiments","Journal of the American Chemical Society","2011","133","","10864","10877","10.1021/ja2021476","","","0.71073","MoKα","","0.0441","0.0333","","","0.0801","0.0844","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106401","11.473","0.0015","11.2327","0.0016","15.079","0.002","90","","97.682","0.009","90","","1925.8","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Cl3 -","- C24 H15 Cl3 -","- C96 H60 Cl12 -","4","1","","Zhong-Ke Yao; Zhi-Xiang Yu","Mechanisms of the Thermal Cyclotrimerizations of Fluoro- and Chloroacetylenes: Density Functional Theory Investigation and Intermediate Trapping Experiments","Journal of the American Chemical Society","2011","133","","10864","10877","10.1021/ja2021476","","","1.54186","CuKα","","0.053","0.0447","","","0.0945","0.099","","","","","","1.138","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106402","10.225","0.002","12.729","0.003","36.869","0.007","90","","93.69","0.03","90","","4788.7","1.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Co4(O2)2(bpbp)2(BDC)](PF6)4","","","- C80 H82 Co4 F24 N12 O10 P4 -","- C80 H82 Co4 F24 N12 O10 P4 -","- C160 H164 Co8 F48 N24 O20 P8 -","2","0.5","","Peter D. Southon; David J. Price; Pia K. Nielsen; Christine J. McKenzie; Cameron J. Kepert","Reversible and Selective O2 Chemisorption in a Porous Metal-Organic Host Material","Journal of the American Chemical Society","2011","133","","10885","10891","10.1021/ja202228v","","x-ray","0.652529","synchrotron","","0.0968","0.0904","","","0.2587","0.2658","","","","","","1.025","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106403","13.7017","0.0008","12.657","0.0006","20.2986","0.0015","90","","103.648","0.008","90","","3420.8","0.4","223","","223","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C71 H75 Cl N2 O6 P2 Ru -","- C71 H75 Cl N2 O6 P2 Ru -","- C142 H150 Cl2 N4 O12 P4 Ru2 -","2","1","","Kazuhiko Matsumura; Noriyoshi Arai; Kiyoto Hori; Takao Saito; Noboru Sayo; Takeshi Ohkuma","Chiral Ruthenabicyclic Complexes: Precatalysts for Rapid, Enantioselective, and Wide-Scope Hydrogenation of Ketones","Journal of the American Chemical Society","2011","133","","10696","10699","10.1021/ja202296w","","","0.71075","MoKα","","","0.0687","","","","0.1917","","","","","","1.027","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106404","11.422","0.005","31.628","0.014","12.113","0.005","90","","95.339","0.01","90","","4357","3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H74 N2 P2 Si Ti -","- C39 H74 N2 P2 Si Ti -","- C156 H296 N8 P8 Si4 Ti4 -","4","0.5","","Vincent N. Cavaliere; Marco G. Crestani; Balazs Pinter; Maren Pink; Chun-Hsing Chen; Mu-Hyun Baik; Daniel J. Mindiola","Room Temperature Dehydrogenation of Ethane to Ethylene","Journal of the American Chemical Society","2011","133","","10700","10703","10.1021/ja202316m","","","0.71073","MoKα","","0.105","0.0626","","0.1707","0.1558","0.1707","","","","","","0.9579","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106405","14.204","0.002","12.406","0.002","25.237","0.005","90","","101.599","0.003","90","","4356.3","1.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H71 N2 O0.5 P2 Ti -","- C43 H71 N2 O0.5 P2 Ti -","- C172 H284 N8 O2 P8 Ti4 -","4","1","","Vincent N. Cavaliere; Marco G. Crestani; Balazs Pinter; Maren Pink; Chun-Hsing Chen; Mu-Hyun Baik; Daniel J. Mindiola","Room Temperature Dehydrogenation of Ethane to Ethylene","Journal of the American Chemical Society","2011","133","","10700","10703","10.1021/ja202316m","","","0.71073","MoKα","","0.1435","0.0635","","","0.1192","0.1458","","","","","","1.006","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106406","8.6027","0.0007","10.4781","0.0008","17.9484","0.0014","90","","96.017","0.001","90","","1609","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","1","","Bishwajit Paul; Glenn L. Butterfoss; Mikki G. Boswell; P. Douglas Renfrew; Fanny G. Yeung; Neel H. Shah; Christian Wolf; Richard Bonneau; Kent Kirshenbaum","Peptoid Atropisomers","Journal of the American Chemical Society","2011","133","","10910","10919","10.1021/ja2028684","","","0.71073","MoKα","","0.0387","0.0343","","","0.0923","0.0969","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106407","9.0692","0.0008","10.1549","0.0009","17.5809","0.0016","90","","101.023","0.001","90","","1589.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 I N O3 -","- C14 H18 I N O3 -","- C56 H72 I4 N4 O12 -","4","1","","Bishwajit Paul; Glenn L. Butterfoss; Mikki G. Boswell; P. Douglas Renfrew; Fanny G. Yeung; Neel H. Shah; Christian Wolf; Richard Bonneau; Kent Kirshenbaum","Peptoid Atropisomers","Journal of the American Chemical Society","2011","133","","10910","10919","10.1021/ja2028684","","","0.71073","MoKα","","0.0486","0.0299","","","0.058","0.0639","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106408","10.5493","0.0015","16.05","0.002","20.088","0.003","90","","90","","90","","3401.2","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C152 H160 N16 O32 -","8","1","","Bishwajit Paul; Glenn L. Butterfoss; Mikki G. Boswell; P. Douglas Renfrew; Fanny G. Yeung; Neel H. Shah; Christian Wolf; Richard Bonneau; Kent Kirshenbaum","Peptoid Atropisomers","Journal of the American Chemical Society","2011","133","","10910","10919","10.1021/ja2028684","","","0.71073","MoKα","","0.0911","0.0675","","","0.1556","0.1623","","","","","","1.151","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106409","7.9952","0.0002","8.7279","0.0003","12.715","0.001","93.2104","0.001","94.7131","0.001","97.9838","0.0005","873.65","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 I N2 O4 -","- C18 H17 I N2 O4 -","- C36 H34 I2 N4 O8 -","2","1","","Bishwajit Paul; Glenn L. Butterfoss; Mikki G. Boswell; P. Douglas Renfrew; Fanny G. Yeung; Neel H. Shah; Christian Wolf; Richard Bonneau; Kent Kirshenbaum","Peptoid Atropisomers","Journal of the American Chemical Society","2011","133","","10910","10919","10.1021/ja2028684","","","0.71073","MoKα","","0.0194","0.018","","","0.0426","0.0432","","","","","","1.062","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106410","8.1287","0.0003","20.4002","0.0008","17.2759","0.0007","90","","92.13","0.001","90","","2862.83","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 I N3 O5 -","- C30 H32 I N3 O5 -","- C120 H128 I4 N12 O20 -","4","1","","Bishwajit Paul; Glenn L. Butterfoss; Mikki G. Boswell; P. Douglas Renfrew; Fanny G. Yeung; Neel H. Shah; Christian Wolf; Richard Bonneau; Kent Kirshenbaum","Peptoid Atropisomers","Journal of the American Chemical Society","2011","133","","10910","10919","10.1021/ja2028684","","","0.71073","MoKα","","0.0241","0.0224","","","0.053","0.0537","","","","","","1.104","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106411","5.739","0.003","10.225","0.006","12.543","0.007","82.33","0.02","77.27","0.02","75.35","0.02","692.2","0.7","103","2","103","2","","","","","","","","2","P -1","-P 1","2","","","","- C22 H14 -","- C22 H14 -","- C44 H28 -","2","1","","Kenji Mochida; Katsuaki Kawasumi; Yasutomo Segawa; Kenichiro Itami","Direct Arylation of Polycyclic Aromatic Hydrocarbons through Palladium Catalysis","Journal of the American Chemical Society","2011","133","","10716","10719","10.1021/ja202975w","","","0.7107","MoKα","","0.0935","0.0599","","","0.1337","0.1552","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106412","7.91","0.003","29.258","0.011","8.208","0.003","90","","111.797","0.006","90","","1763.8","1.1","103","2","103","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 -","- C25 H20 -","- C100 H80 -","4","1","","Kenji Mochida; Katsuaki Kawasumi; Yasutomo Segawa; Kenichiro Itami","Direct Arylation of Polycyclic Aromatic Hydrocarbons through Palladium Catalysis","Journal of the American Chemical Society","2011","133","","10716","10719","10.1021/ja202975w","","","0.7107","MoKα","","0.1193","0.0664","","","0.1331","0.1555","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106413","3.902","0.0015","12.153","0.005","19.4","0.008","85.547","0.012","85.134","0.011","78.235","0.012","895.7","0.6","103","2","103","2","","","","","","","","2","P -1","-P 1","2","","","","- C30 H18 -","- C30 H18 -","- C60 H36 -","2","1","","Kenji Mochida; Katsuaki Kawasumi; Yasutomo Segawa; Kenichiro Itami","Direct Arylation of Polycyclic Aromatic Hydrocarbons through Palladium Catalysis","Journal of the American Chemical Society","2011","133","","10716","10719","10.1021/ja202975w","","","0.7107","MoKα","","0.0954","0.0564","","","0.1211","0.1419","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106414","9.3966","0.0017","18.915","0.003","25.413","0.005","90","","97.701","0.003","90","","4476.1","1.4","93.15","","93.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H59 Cl3 N2 O3 Ti -","- C48 H59 Cl3 N2 O3 Ti -","- C192 H236 Cl12 N8 O12 Ti4 -","4","1","","Koji Nakano; Kazuki Kobayashi; Kyoko Nozaki","Tetravalent Metal Complexes as a New Family of Catalysts for Copolymerization of Epoxides with Carbon Dioxide","Journal of the American Chemical Society","2011","133","","10720","10723","10.1021/ja203382q","","","0.71075","MoKα","","0.0893","0.0707","","","0.1731","0.1888","","","","","","1.069","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106415","9.3439","0.0013","19.022","0.003","25.892","0.004","90","","98.68","0.002","90","","4549.3","1.2","93.15","","93.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H59 Cl3 N2 O3 Zr -","- C48 H59 Cl3 N2 O3 Zr -","- C192 H236 Cl12 N8 O12 Zr4 -","4","1","","Koji Nakano; Kazuki Kobayashi; Kyoko Nozaki","Tetravalent Metal Complexes as a New Family of Catalysts for Copolymerization of Epoxides with Carbon Dioxide","Journal of the American Chemical Society","2011","133","","10720","10723","10.1021/ja203382q","","","0.71075","MoKα","","0.0723","0.0574","","","0.1202","0.1292","","","","","","1.123","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106416","14.9342","0.0018","21.214","0.003","23.28","0.003","90","","90","","90","","7375.4","1.7","93.15","","93.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H49 Cl Ge N2 O2 -","- C43 H49 Cl Ge N2 O2 -","- C344 H392 Cl8 Ge8 N16 O16 -","8","1","","Koji Nakano; Kazuki Kobayashi; Kyoko Nozaki","Tetravalent Metal Complexes as a New Family of Catalysts for Copolymerization of Epoxides with Carbon Dioxide","Journal of the American Chemical Society","2011","133","","10720","10723","10.1021/ja203382q","","","0.71075","MoKα","","0.0815","0.0745","","","0.1465","0.15","","","","","","1.253","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106417","9.453","0.004","18.891","0.009","25.813","0.012","90","","96.559","0.009","90","","4579","4","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H57 Cl N2 O3 Sn -","- C47 H57 Cl N2 O3 Sn -","- C188 H228 Cl4 N8 O12 Sn4 -","4","1","","Koji Nakano; Kazuki Kobayashi; Kyoko Nozaki","Tetravalent Metal Complexes as a New Family of Catalysts for Copolymerization of Epoxides with Carbon Dioxide","Journal of the American Chemical Society","2011","133","","10720","10723","10.1021/ja203382q","","","0.71075","MoKα","","0.2085","0.1637","","","0.3702","0.4006","","","","","","1.11","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106418","9.0424","0.0002","21.397","0.0005","10.3352","0.0003","90","","114.417","0.001","90","","1820.81","0.08","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C36 H44 Cl2 P2 Pd2 -","- C36 H44 Cl2 P2 Pd2 -","- C72 H88 Cl4 P4 Pd4 -","2","1","","David Gatineau; Laurent Giordano; Gérard Buono","Bulky, Optically Active P-Stereogenic Phosphine-Boranes from Pure H-Menthylphosphinates","Journal of the American Chemical Society","2011","133","","10728","10731","10.1021/ja2034816","","x-ray","0.71073","MoKα","","0.0754","0.0397","","","0.0596","0.0663","","","","","","0.829","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106419","9.5513","0.0002","9.6961","0.0002","20.0734","0.0006","90","","90","","90","","1859","0.08","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 O2 P -","- C20 H27 O2 P -","- C80 H108 O8 P4 -","4","1","","David Gatineau; Laurent Giordano; Gérard Buono","Bulky, Optically Active P-Stereogenic Phosphine-Boranes from Pure H-Menthylphosphinates","Journal of the American Chemical Society","2011","133","","10728","10731","10.1021/ja2034816","","x-ray","0.71073","MoKα","","0.1063","0.0602","","","0.1682","0.2272","","","","","","1.237","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106420","9.2291","0.0002","21.3493","0.0004","19.9819","0.0005","90","","93.583","0.001","90","","3929.43","0.15","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 O4 P2 Pd2 -","- C40 H50 O4 P2 Pd2 -","- C160 H200 O16 P8 Pd8 -","4","1","","David Gatineau; Laurent Giordano; Gérard Buono","Bulky, Optically Active P-Stereogenic Phosphine-Boranes from Pure H-Menthylphosphinates","Journal of the American Chemical Society","2011","133","","10728","10731","10.1021/ja2034816","","x-ray","0.71073","MoKα","","0.1206","0.0526","","","0.1362","0.1746","","","","","","1.057","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106421","9.2234","0.0003","14.0422","0.0004","13.6223","0.0005","90","","96.874","0.001","90","","1751.63","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H26 B P -","- C18 H26 B P -","- C72 H104 B4 P4 -","4","2","","David Gatineau; Laurent Giordano; Gérard Buono","Bulky, Optically Active P-Stereogenic Phosphine-Boranes from Pure H-Menthylphosphinates","Journal of the American Chemical Society","2011","133","","10728","10731","10.1021/ja2034816","","x-ray","0.71073","MoKα","","0.143","0.0783","","","0.2022","0.2556","","","","","","1.115","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106422","9.1415","0.0017","10.268","0.002","12.839","0.003","91.609","0.003","93.379","0.003","92.45","0.003","1201.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N4 O6 -","- C25 H26 N4 O6 -","- C50 H52 N8 O12 -","2","1","","Weiping Liu; Yuanming Li; Kaisheng Liu; Zhiping Li","Iron-Catalyzed Carbonylation-Peroxidation of Alkenes with Aldehydes and Hydroperoxides","Journal of the American Chemical Society","2011","133","","10756","10759","10.1021/ja204226n","","","0.71073","MoKα","","0.0697","0.0443","","","0.0975","0.1085","","","","","","1.032","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106423","19.851","0.004","19.999","0.004","22.525","0.005","100.93","0.03","96.65","0.03","117.31","0.03","7588","4","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C119.03 H135.04 Cl6 N25.01 Nd2 O36 -","- C119.014 H135.021 Cl5.526 N25.007 Nd2 O34.104 -","- C238.028 H270.042 Cl11.052 N50.014 Nd4 O68.208 -","2","1","","Badr El Aroussi; Soumaila Zebret; Céline Besnard; Philippe Perrottet; Josef Hamacek","Rational Design of a Ternary Supramolecular System: Self-Assembly of Pentanuclear Lanthanide Helicates","Journal of the American Chemical Society","2011","133","","10764","10767","10.1021/ja204474v","","","0.71073","MoKα","","0.0757","0.0566","","","0.153","0.1675","","","","","","1.045","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106424","22.88","0.02","24.28","0.02","25.54","0.01","90","","90","","90","","14188","18","220","","220","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C121.08 H130.62 Cl6 Lu2 N23.54 O37 -","- C121.08 H130.62 Cl6 Lu2 N23.54 O37 -","- C484.32 H522.48 Cl24 Lu8 N94.16 O148 -","4","0.5","","Badr El Aroussi; Soumaila Zebret; Céline Besnard; Philippe Perrottet; Josef Hamacek","Rational Design of a Ternary Supramolecular System: Self-Assembly of Pentanuclear Lanthanide Helicates","Journal of the American Chemical Society","2011","133","","10764","10767","10.1021/ja204474v","","","0.71073","MoKα","","0.0645","0.0438","","0.1186","0.1065","0.1186","","","","","","0.987","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106425","11.095","0.002","17.5","0.004","19.417","0.004","65.38","0.03","75.41","0.03","81.08","0.03","3311.4","1.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H39.5 N6.5 O4 -","- C36 H39.5 N6.5 O4 -","- C144 H158 N26 O16 -","4","2","","Badr El Aroussi; Soumaila Zebret; Céline Besnard; Philippe Perrottet; Josef Hamacek","Rational Design of a Ternary Supramolecular System: Self-Assembly of Pentanuclear Lanthanide Helicates","Journal of the American Chemical Society","2011","133","","10764","10767","10.1021/ja204474v","","","0.71073","MoKα","","0.0631","0.0485","","","0.1128","0.1205","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106426","15.1283","0.0004","15.9902","0.0004","16.2625","0.0004","90","","90","","90","","3933.97","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H45 Cl3 N8 O2 -","- C43 H45 Cl3 N8 O2 -","- C172 H180 Cl12 N32 O8 -","4","1","","Sunkyu Han; Mohammad Movassaghi","Concise Total Synthesis and Stereochemical Revision of all (-)-Trigonoliimines","Journal of the American Chemical Society","2011","133","","10768","10771","10.1021/ja204597k","","","1.54178","CuKα","","0.0306","0.0305","","","0.0823","0.0824","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106427","41.6761","0.0019","7.7113","0.0003","10.0688","0.0005","90","","90","","90","","3235.9","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C37.5 H28 Br Cl N4 O6 -","- C37.5 H28 Br Cl N4 O6 -","- C150 H112 Br4 Cl4 N16 O24 -","4","1","","Sunkyu Han; Mohammad Movassaghi","Concise Total Synthesis and Stereochemical Revision of all (-)-Trigonoliimines","Journal of the American Chemical Society","2011","133","","10768","10771","10.1021/ja204597k","","","0.71073","MoKα","","0.0564","0.0476","","","0.0877","0.0899","","","","","","1.181","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106428","7.3013","0.0002","7.5801","0.0002","32.8941","0.0008","90","","90","","90","","1820.51","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N4 O2 -","- C22 H22 N4 O2 -","- C88 H88 N16 O8 -","4","1","","Sunkyu Han; Mohammad Movassaghi","Concise Total Synthesis and Stereochemical Revision of all (-)-Trigonoliimines","Journal of the American Chemical Society","2011","133","","10768","10771","10.1021/ja204597k","","","1.54178","CuKα","","0.0309","0.0306","","","0.0798","0.0802","","","","","","1.056","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106429","15.448","0.003","15.944","0.003","17.894","0.004","76.713","0.002","73.192","0.002","64.903","0.002","3791.4","1.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","Yb@C80Ni(OEP)","Yb@C80Ni(OEP)","","- C126 H53 N4 Ni S2 Yb -","- C126.268 H53 N4 Ni S2 Yb -","- C252.536 H106 N8 Ni2 S4 Yb2 -","2","1","","Xing Lu; Yongfu Lian; Christine M. Beavers; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase; Takeshi Akasaka","Crystallographic X-ray Analyses of Yb@C2v(3)-C80 Reveal a Feasible Rule That Governs the Location of a Rare Earth Metal inside a Medium-Sized Fullerene","Journal of the American Chemical Society","2011","133","","10772","10775","10.1021/ja204653z","","","0.71073","MoKα","","0.0831","0.082","","","0.2079","0.2089","","","","","","1.108","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106430","15.463","0.003","15.951","0.004","17.905","0.004","76.668","0.002","73.253","0.002","64.778","0.002","3796","1.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","Yb@C80Ni(OEP)","Yb@C80Ni(OEP)","","- C126 H53 N4 Ni S2 Yb -","- C126.276 H53 N4 Ni S2 Yb -","- C252.552 H106 N8 Ni2 S4 Yb2 -","2","1","","Xing Lu; Yongfu Lian; Christine M. Beavers; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase; Takeshi Akasaka","Crystallographic X-ray Analyses of Yb@C2v(3)-C80 Reveal a Feasible Rule That Governs the Location of a Rare Earth Metal inside a Medium-Sized Fullerene","Journal of the American Chemical Society","2011","133","","10772","10775","10.1021/ja204653z","","","0.71073","MoKα","","0.0862","0.0841","","","0.2127","0.2145","","","","","","1.084","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106431","15.506","0.002","15.969","0.002","17.94","0.003","76.616","0.002","73.388","0.002","64.727","0.002","3818.6","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Yb@C80Ni(OEP)","Yb@C80Ni(OEP)","","- C126 H53 N4 Ni S2 Yb -","- C126.224 H53 N4 Ni S2 Yb -","- C252.448 H106 N8 Ni2 S4 Yb2 -","2","1","","Xing Lu; Yongfu Lian; Christine M. Beavers; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase; Takeshi Akasaka","Crystallographic X-ray Analyses of Yb@C2v(3)-C80 Reveal a Feasible Rule That Governs the Location of a Rare Earth Metal inside a Medium-Sized Fullerene","Journal of the American Chemical Society","2011","133","","10772","10775","10.1021/ja204653z","","","0.71073","MoKα","","0.1159","0.1116","","","0.2704","0.2735","","","","","","1.243","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106432","15.559","0.004","15.978","0.004","17.977","0.004","76.369","0.003","73.643","0.003","64.689","0.003","3842.2","1.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","Yb@C80Ni(OEP)","Yb@C80Ni(OEP)","","- C126 H53 N4 Ni S2 Yb -","- C126.254 H53 N4 Ni S2 Yb -","- C252.508 H106 N8 Ni2 S4 Yb2 -","2","1","","Xing Lu; Yongfu Lian; Christine M. Beavers; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase; Takeshi Akasaka","Crystallographic X-ray Analyses of Yb@C2v(3)-C80 Reveal a Feasible Rule That Governs the Location of a Rare Earth Metal inside a Medium-Sized Fullerene","Journal of the American Chemical Society","2011","133","","10772","10775","10.1021/ja204653z","","","0.71073","MoKα","","0.175","0.1654","","","0.5174","0.5392","","","","","","2.692","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106433","17.1563","0.001","16.585","0.0008","24.7229","0.0014","90","","90.326","0.003","90","","7034.5","0.7","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H80 Cl2 N6 Ni6 O12 S6 -","- C67 H80 Cl2 N6 Ni6 O12 S6 -","- C268 H320 Cl8 N24 Ni24 O48 S24 -","4","1","","Edwin C. Constable; Guoqi Zhang; Daniel Häussinger; Catherine E. Housecroft; Jennifer A. Zampese","Metallohosts with a Heart of Carbon","Journal of the American Chemical Society","2011","133","","10776","10779","10.1021/ja204888w","","","0.71073","MoKα","","0.065","0.0352","","","0.1043","0.1474","","","","","","1.142","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106434","15.661","0.003","18.078","0.003","18.236","0.003","90","","115.008","0.012","90","","4678.9","1.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H47 Cl2 N3 Ni3 O6 S3 -","- C49 H47 Cl2 N3 Ni3 O6 S3 -","- C196 H188 Cl8 N12 Ni12 O24 S12 -","4","1","","Edwin C. Constable; Guoqi Zhang; Daniel Häussinger; Catherine E. Housecroft; Jennifer A. Zampese","Metallohosts with a Heart of Carbon","Journal of the American Chemical Society","2011","133","","10776","10779","10.1021/ja204888w","","","0.71073","MoKα","","0.0375","0.0344","","","0.0855","0.0873","","","","","","1.117","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106435","18.551","0.003","18.551","0.003","16.155","0.003","90","","90","","120","","4814.7","1.4","173","2","173","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C127 H80 Cl2 N6 Ni6 O12 S6 -","- C127 H79.98 Cl2.01 N6 Ni6 O12 S6 -","- C254 H159.96 Cl4.02 N12 Ni12 O24 S12 -","2","0.333333","","Edwin C. Constable; Guoqi Zhang; Daniel Häussinger; Catherine E. Housecroft; Jennifer A. Zampese","Metallohosts with a Heart of Carbon","Journal of the American Chemical Society","2011","133","","10776","10779","10.1021/ja204888w","","","0.71073","MoKα","","0.0471","0.0444","","","0.1127","0.1145","","","","","","1.106","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106436","13.2134","0.0015","16.8326","0.0017","27.248","0.003","92.936","0.002","94.129","0.002","94.028","0.002","6020.1","1.1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C162 H94.5 Cl2 N6 Ni6 O12.25 S6 -","- C162 H94 Cl2 N6 Ni6 O12.25 S6 -","- C324 H188 Cl4 N12 Ni12 O24.5 S12 -","2","1","","Edwin C. Constable; Guoqi Zhang; Daniel Häussinger; Catherine E. Housecroft; Jennifer A. Zampese","Metallohosts with a Heart of Carbon","Journal of the American Chemical Society","2011","133","","10776","10779","10.1021/ja204888w","","","0.71073","MoKα","","0.1285","0.056","","","0.1463","0.2119","","","","","","1.064","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106437","20.479","0.003","20.479","0.003","21.481","0.004","90","","90","","120","","7802","2","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C121 H104 Cl2 N6 Ni6 O12 S6 -","- C121.02 H104.04 Cl2.04 N6 Ni6 O12 S6 -","- C363.06 H312.12 Cl6.12 N18 Ni18 O36 S18 -","3","0.166667","","Edwin C. Constable; Guoqi Zhang; Daniel Häussinger; Catherine E. Housecroft; Jennifer A. Zampese","Metallohosts with a Heart of Carbon","Journal of the American Chemical Society","2011","133","","10776","10779","10.1021/ja204888w","","","0.71073","MoKα","","0.0579","0.0492","","","0.109","0.1129","","","","","","1.156","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106438","46.302","0.006","13.8507","0.001","27.326","0.003","90","","98.033","0.009","90","","17353","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C127 H63 Cl N3 Ni3 O7 S3 -","- C127 H63 Cl N3 Ni3 O7 S3 -","- C1016 H504 Cl8 N24 Ni24 O56 S24 -","8","1","","Edwin C. Constable; Guoqi Zhang; Daniel Häussinger; Catherine E. Housecroft; Jennifer A. Zampese","Metallohosts with a Heart of Carbon","Journal of the American Chemical Society","2011","133","","10776","10779","10.1021/ja204888w","","","0.71073","MoKα","","0.0844","0.0648","","","0.1546","0.1671","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106439","17.151","0.003","17.537","0.003","26.583","0.008","90","","126.43","0.02","90","","6433","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H84 As10 Br2 N8 O60 V16 -","- C84 H84 As10 Br2 N8 O60 V16 -","- C168 H168 As20 Br4 N16 O120 V32 -","2","0.5","","Lei Zhang; Wolfgang Schmitt","From Platonic Templates to Archimedean Solids: Successive Construction of Nanoscopic {V16As8}, {V16As10}, {V20As8}, and {V24As8} Polyoxovanadate Cages","Journal of the American Chemical Society","2011","133","","11240","11248","10.1021/ja2024004","","","0.71073","MoKα","","0.1271","0.0928","","","0.1911","0.2069","","","","","","1.033","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106440","14.081","0.003","17.115","0.003","29.922","0.006","88.9","0.03","85.19","0.03","65.84","0.03","6555","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H47 As10 Cl2 O62 V16 -","- C60 H47 As10 Cl2 O62 V16 -","- C120 H94 As20 Cl4 O124 V32 -","2","1","","Lei Zhang; Wolfgang Schmitt","From Platonic Templates to Archimedean Solids: Successive Construction of Nanoscopic {V16As8}, {V16As10}, {V20As8}, and {V24As8} Polyoxovanadate Cages","Journal of the American Chemical Society","2011","133","","11240","11248","10.1021/ja2024004","","","0.71073","MoKα","","0.158","0.0937","","","0.2135","0.2375","","","","","","1.022","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106441","22.342","0.003","22.342","0.003","14.023","0.003","90","","90","","90","","7000","2","150","","150","","","","","","","","","6","I 4/m","-I 4","87","","","","- C48 H32 As8 Cl5 O62 V16 -","- C48 H32 As8 Cl5 O62 V16 -","- C96 H64 As16 Cl10 O124 V32 -","2","0.125","","Lei Zhang; Wolfgang Schmitt","From Platonic Templates to Archimedean Solids: Successive Construction of Nanoscopic {V16As8}, {V16As10}, {V20As8}, and {V24As8} Polyoxovanadate Cages","Journal of the American Chemical Society","2011","133","","11240","11248","10.1021/ja2024004","","","0.71073","MoKα","","0.1052","0.0818","","","0.2178","0.2353","","","","","","0.985","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106442","17.3","0.003","16.251","0.003","23.716","0.01","90","","90","","90","","6668","3","150","","150","","","","","","","","","6","I m m m","-I 2 2","71","","","","- C48 H40 As8 Cl4 O73 V20 -","- C48 H40 As8 Cl4 O73 V20 -","- C96 H80 As16 Cl8 O146 V40 -","2","0.125","","Lei Zhang; Wolfgang Schmitt","From Platonic Templates to Archimedean Solids: Successive Construction of Nanoscopic {V16As8}, {V16As10}, {V20As8}, and {V24As8} Polyoxovanadate Cages","Journal of the American Chemical Society","2011","133","","11240","11248","10.1021/ja2024004","","","0.71073","MoKα","","0.0773","0.0731","","","0.2495","0.257","","","","","","1.081","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106443","16.028","0.002","16.028","0.002","27.269","0.005","90","","90","","90","","7005.3","1.8","150","","150","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C48 H32 As8 Cl10 O73 V24 -","- C48 H32 As8 Cl10 O73 V24 -","- C96 H64 As16 Cl20 O146 V48 -","2","0.0625","","Lei Zhang; Wolfgang Schmitt","From Platonic Templates to Archimedean Solids: Successive Construction of Nanoscopic {V16As8}, {V16As10}, {V20As8}, and {V24As8} Polyoxovanadate Cages","Journal of the American Chemical Society","2011","133","","11240","11248","10.1021/ja2024004","","","0.71073","MoKα","","0.1271","0.1145","","","0.2658","0.2742","","","","","","1.033","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106444","15.417","0.003","23.492","0.005","32.648","0.007","90","","90","","90","","11824","4","223","2","223","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H40 Fe N4 Ni2 O9 -","- C50 H40 Fe N4 Ni2 O9 -","- C400 H320 Fe8 N32 Ni16 O72 -","8","0.5","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.094","0.089","","","0.2303","0.2408","","","","","","1.033","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106445","15.571","0.003","23.296","0.005","32.328","0.007","90","","90","","90","","11727","4","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H54 N4 Ni2 O21 -","- C40 H30 N4 Ni2 O21 -","- C320 H240 N32 Ni16 O168 -","8","0.5","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.0627","0.0593","","","0.1521","0.1559","","","","","","1.088","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106446","15.526","0.003","22.639","0.005","32.994","0.007","90","","90","","90","","11597","4","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H30 N4 Ni2 O9 -","- C40 H30 N4 Ni2 O9 -","- C320 H240 N32 Ni16 O72 -","8","0.5","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.0651","0.0598","","","0.1594","0.1664","","","","","","1.089","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106447","15.322","0.003","24.083","0.005","31.621","0.006","90","","90","","90","","11668","4","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C60 H46 N4 Ni2 O9 -","- C60 H46 N4 Ni2 O9 -","- C480 H368 N32 Ni16 O72 -","8","0.5","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.0578","0.0547","","","0.1449","0.1488","","","","","","1.063","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106448","15.483","0.003","23.434","0.005","32.448","0.007","90","","90","","90","","11773","4","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C94 H102 N8 Ni4 O25 -","- C94 H102 N8 Ni4 O25 -","- C376 H408 N32 Ni16 O100 -","4","0.25","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.1029","0.0861","","","0.2051","0.2172","","","","","","1.176","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106449","15.477","0.003","23.392","0.005","32.321","0.007","90","","90","","90","","11701","4","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C64 H52 N4 Ni2 O9 -","- C64 H52 N4 Ni2 O9 -","- C512 H416 N32 Ni16 O72 -","8","0.5","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.0694","0.0687","","","0.1814","0.1821","","","","","","1.197","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106450","8.3007","0.0008","15.6603","0.0014","9.3885","0.0009","90","","114.592","0.001","90","","1109.73","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{H3N(CH2)4NH3}[Zn2(ox)3](H2O)6","","","- C10 H26 N2 O18 Zn2 -","- C10 H26 N2 O18 Zn2 -","- C20 H52 N4 O36 Zn4 -","2","0.5","","Masaaki Sadakiyo; Teppei Yamada; Hiroshi Kitagawa","Hydroxyl Group Recognition by Hydrogen-Bonding Donor and Acceptor Sites Embedded in a Layered Metal-Organic Framework","Journal of the American Chemical Society","2011","133","","11050","11053","10.1021/ja203291n","","","0.71073","MoKα","","0.0175","0.0169","","","0.046","0.0463","","","","","","1.054","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106451","6.722","0.004","8.897","0.005","9.501","0.006","62.779","0.005","88.615","0.006","71.692","0.005","474.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","{H3N(CH2)4NH3}[Zn2(ox)3](H2O)2","","","- C10 H18 N2 O14 Zn2 -","- C10 N2 O14 Zn2 -","- C10 N2 O14 Zn2 -","1","0.5","","Masaaki Sadakiyo; Teppei Yamada; Hiroshi Kitagawa","Hydroxyl Group Recognition by Hydrogen-Bonding Donor and Acceptor Sites Embedded in a Layered Metal-Organic Framework","Journal of the American Chemical Society","2011","133","","11050","11053","10.1021/ja203291n","","","0.71073","MoKα","","0.047","0.0414","","","0.1108","0.1156","","","","","","1.102","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106452","10.6829","0.0017","12.2765","0.0017","13.262","0.002","71.844","0.005","89.526","0.007","76.509","0.005","1603.2","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C71 H118 B2 Li2 O2 -","- C71 H118 B2 Li2 O2 -","- C71 H118 B2 Li2 O2 -","1","0.5","","Yoshiaki Shoji; Tsukasa Matsuo; Daisuke Hashizume; Matthias J. Gutmann; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","Boron-Boron σ-Bond Formation by Two-Electron Reduction of a H-Bridged Dimer of Monoborane","Journal of the American Chemical Society","2011","133","","11058","11061","10.1021/ja203333j","","","0.71073","MoKα","","0.0674","0.0485","","","0.1298","0.1396","","","","","","1.085","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106453","13.328","0.002","15.242","0.003","19.666","0.003","100.058","0.0014","96.6371","0.0011","113.4","0.002","3533.7","1","100.1","","100.1","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H129 B2 Li O6 -","- C74 H129 B2 Li O6 -","- C148 H258 B4 Li2 O12 -","2","1","","Yoshiaki Shoji; Tsukasa Matsuo; Daisuke Hashizume; Matthias J. Gutmann; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","Boron-Boron σ-Bond Formation by Two-Electron Reduction of a H-Bridged Dimer of Monoborane","Journal of the American Chemical Society","2011","133","","11058","11061","10.1021/ja203333j","","","0.71073","MoKα","","","0.051","","","","0.1326","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106454","21.668","0.004","10.302","0.002","22.374","0.005","90","","91.61","0.013","90","","4992.4","1.7","40","","40","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H90 B2 D2 -","- C56 H90 B2 D2 -","- C224 H360 B8 D8 -","4","0.5","","Yoshiaki Shoji; Tsukasa Matsuo; Daisuke Hashizume; Matthias J. Gutmann; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","Boron-Boron σ-Bond Formation by Two-Electron Reduction of a H-Bridged Dimer of Monoborane","Journal of the American Chemical Society","2011","133","","11058","11061","10.1021/ja203333j","","neutron","","white-beam","","0.0739","0.0651","","","0.1289","0.132","","","","","","1.011","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106455","12.2709","0.0016","15.242","0.002","12.2159","0.0016","90","","109.757","0.002","90","","2150.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H60 I2 O4 S2 -","- C38 H60 I2 O4 S2 -","- C76 H120 I4 O8 S4 -","2","0.5","","Chuanwen Lin; Takanori Endo; Masayoshi Takase; Masahiko Iyoda; Tohru Nishinaga","Structural, Optical, and Electronic Properties of a Series of 3,4-Propylenedioxythiophene Oligomers in Neutral and Various Oxidation States","Journal of the American Chemical Society","2011","133","","11339","11350","10.1021/ja2035442","","","0.71073","MoKα","","0.0469","0.0353","","","0.0893","0.0978","","","","","","1.044","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106456","15.458","0.002","15.849","0.002","26.379","0.004","102.989","0.002","93.986","0.002","100.137","0.002","6158.8","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2","","","- C80 H96 Cu8 O32 S8 -","- C80 H88 Cu8 O32 S8 -","- C160 H176 Cu16 O64 S16 -","2","1","","Drew A. Fowler; Andrew V. Mossine; Christine M. Beavers; Simon J. Teat; Scott J. Dalgarno; Jerry L. Atwood","Coordination Polymer Chains of Dimeric Pyrogallol[4]arene Capsules","Journal of the American Chemical Society","2011","133","","11069","11071","10.1021/ja203651v","","","0.71073","MoKα","","0.0952","0.0652","","","0.188","0.2011","","","","","","1.197","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106457","15.268","0.004","15.399","0.004","26.583","0.006","103.563","0.003","96.004","0.003","97.402","0.003","5966","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","3","","","- C102 H96 Cu8 N6 O28 S4 -","- C102 H88 Cu8 N6 O28 S4 -","- C204 H176 Cu16 N12 O56 S8 -","2","1","","Drew A. Fowler; Andrew V. Mossine; Christine M. Beavers; Simon J. Teat; Scott J. Dalgarno; Jerry L. Atwood","Coordination Polymer Chains of Dimeric Pyrogallol[4]arene Capsules","Journal of the American Chemical Society","2011","133","","11069","11071","10.1021/ja203651v","","","0.7749","synchrotron","","0.1369","0.0928","","","0.2289","0.2422","","","","","","1.29","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106458","14.4861","0.0005","14.5856","0.0005","22.0546","0.0007","75.001","0.002","75.107","0.002","67.849","0.002","4102.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","4","","","- C80 H72 Cu8 N3 O27.5 -","- C80 H58 Cu8 N3 O27.5 -","- C160 H116 Cu16 N6 O55 -","2","1","","Drew A. Fowler; Andrew V. Mossine; Christine M. Beavers; Simon J. Teat; Scott J. Dalgarno; Jerry L. Atwood","Coordination Polymer Chains of Dimeric Pyrogallol[4]arene Capsules","Journal of the American Chemical Society","2011","133","","11069","11071","10.1021/ja203651v","","","0.7749","synchrotron","","0.0697","0.0451","","","0.1122","0.12","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106459","9.5116","0.0007","32.412","0.003","9.5796","0.0007","90","","118.619","0.001","90","","2592.5","0.4","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C120 H144 O16 -","8","2","","Kenichiro Nakai; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Cycloaddition of o-Arylcarboxybenzonitriles and Alkynes via Cleavage of Two Carbon-Carbon σ Bonds","Journal of the American Chemical Society","2011","133","","11066","11068","10.1021/ja203829j","","","0.71073","MoKα","","0.0866","0.0698","","","0.1901","0.2057","","","","","","1.037","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106460","6.4749","0.0009","11.6128","0.0017","7.7449","0.0011","90","","109.299","0.002","90","","549.63","0.14","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C26 H28 O4 -","2","1","","Kenichiro Nakai; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Cycloaddition of o-Arylcarboxybenzonitriles and Alkynes via Cleavage of Two Carbon-Carbon σ Bonds","Journal of the American Chemical Society","2011","133","","11066","11068","10.1021/ja203829j","","","0.71073","MoKα","","0.0412","0.0383","","","0.1053","0.1091","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106461","9.3444","0.0012","9.3565","0.0012","9.4457","0.0012","90.583","0.002","105.545","0.002","113.659","0.002","722.25","0.16","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","1","","Kenichiro Nakai; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Cycloaddition of o-Arylcarboxybenzonitriles and Alkynes via Cleavage of Two Carbon-Carbon σ Bonds","Journal of the American Chemical Society","2011","133","","11066","11068","10.1021/ja203829j","","","0.71073","MoKα","","0.0553","0.0475","","","0.1398","0.1475","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106462","8.7173","0.0004","8.5002","0.0003","9.0429","0.0003","90","","96.081","0.002","90","","666.3","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H14 B2 N2 -","- C2 H14 B2 N2 -","- C8 H56 B8 N8 -","4","1","","Heather C. Johnson; Alasdair P. M. Robertson; Adrian B. Chaplin; Laura J. Sewell; Amber L. Thompson; Mairi F. Haddow; Ian Manners; Andrew S. Weller","Catching the First Oligomerization Event in the Catalytic Formation of Polyaminoboranes: H3B.NMeHBH2.NMeH2 Bound to Iridium","Journal of the American Chemical Society","2011","133","","11076","11079","10.1021/ja2040738","","","0.71073","MoKα","","0.0762","0.071","","","0.2593","0.2667","","","","","","1.166","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106463","12.6824","0.0001","17.147","0.0002","17.4894","0.0002","82.6288","0.0005","84.1492","0.0005","86.771","0.0005","3748.65","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H88 B2 F24 Ir N P2 -","- C69 H88 B2 F24 Ir N P2 -","- C138 H176 B4 F48 Ir2 N2 P4 -","2","1","","Heather C. Johnson; Alasdair P. M. Robertson; Adrian B. Chaplin; Laura J. Sewell; Amber L. Thompson; Mairi F. Haddow; Ian Manners; Andrew S. Weller","Catching the First Oligomerization Event in the Catalytic Formation of Polyaminoboranes: H3B.NMeHBH2.NMeH2 Bound to Iridium","Journal of the American Chemical Society","2011","133","","11076","11079","10.1021/ja2040738","","","0.71073","MoKα","","0.0524","0.0368","","","0.0781","0.0843","","","","","","1.041","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106464","13.418","0.003","14.765","0.003","23.308","0.006","72.626","0.013","74.181","0.01","69.118","0.012","4045.4","1.7","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C67 H104 B3 Cl8 Ir N2 P2 -","- C67 H104 B3 Cl8 Ir N2 P2 -","- C134 H208 B6 Cl16 Ir2 N4 P4 -","2","1","","Heather C. Johnson; Alasdair P. M. Robertson; Adrian B. Chaplin; Laura J. Sewell; Amber L. Thompson; Mairi F. Haddow; Ian Manners; Andrew S. Weller","Catching the First Oligomerization Event in the Catalytic Formation of Polyaminoboranes: H3B.NMeHBH2.NMeH2 Bound to Iridium","Journal of the American Chemical Society","2011","133","","11076","11079","10.1021/ja2040738","","","0.6889","MoKα","","0.0582","0.0487","","0.1069","0.0984","0.1069","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106465","13.4081","0.0005","13.6329","0.0006","19.9252","0.0008","79.247","0.001","81.738","0.001","84.019","0.001","3529.8","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H83 N2 P3 Pb Pd -","- C82 H67 N2 P3 Pb Pd -","- C164 H134 N4 P6 Pb2 Pd2 -","2","1","","Dennis Heitmann; Tania Pape; Alexander Hepp; Christian Mück-Lichtenfeld; Stefan Grimme; F. Ekkehardt Hahn","Palladium and Platinum Complexes of a Benzannulated N-Heterocyclic Plumbylene with an Unusual Bonding Mode","Journal of the American Chemical Society","2011","133","","11118","11120","10.1021/ja204955f","","","0.71073","MoKα","","0.0501","0.0392","","","0.1059","0.1154","","","","","","0.919","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106466","13.4074","0.0006","13.6036","0.0006","19.8815","0.0008","79.186","0.001","81.777","0.001","83.868","0.001","3513.2","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H83 N2 P3 Pb Pt -","- C82 H67 N2 P3 Pb Pt -","- C164 H134 N4 P6 Pb2 Pt2 -","2","1","","Dennis Heitmann; Tania Pape; Alexander Hepp; Christian Mück-Lichtenfeld; Stefan Grimme; F. Ekkehardt Hahn","Palladium and Platinum Complexes of a Benzannulated N-Heterocyclic Plumbylene with an Unusual Bonding Mode","Journal of the American Chemical Society","2011","133","","11118","11120","10.1021/ja204955f","","","0.71073","MoKα","","0.0483","0.036","","","0.0894","0.0975","","","","","","1.034","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106467","30.5678","0.0001","30.5678","0.0001","30.5678","0.0001","90","","90","","90","","28562.3","0.16","293","2","293","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C67.5 H65.5 Ag3 Mo2 N17.5 O14.5 -","- C67.5 H48 Ag3 Mo2 N17.5 O10 -","- C1080 H768 Ag48 Mo32 N280 O160 -","16","0.333333","","Hua Wu; Jin Yang; Zhong-Min Su; Stuart R. Batten; Jian-Fang Ma","An Exceptional 54-Fold Interpenetrated Coordination Polymer with 103-srs Network Topology","Journal of the American Chemical Society","2011","133","","11406","11409","10.1021/ja202303b","","","1.54184","CuKα","","0.0731","0.0695","","","0.183","0.1873","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106468","33.515","0.005","18.955","0.003","30.323","0.005","90","","92.511","0.002","90","","19245","5","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C236 H192.5 N12 O37 Pd2 -","- C236 H192.5 N12 O37 Pd2 -","- C944 H770 N48 O148 Pd8 -","4","1","","Norifumi Kishi; Zhiou Li; Kenji Yoza; Munetaka Akita; Michito Yoshizawa","An M2L4 Molecular Capsule with an Anthracene Shell: Encapsulation of Large Guests up to 1 nm","Journal of the American Chemical Society","2011","133","","11438","11441","10.1021/ja2037029","","","0.71073","MoKα","","0.1732","0.1042","","","0.2645","0.3002","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106469","20.323","0.002","23.546","0.002","24.072","0.002","88.798","0.002","69.662","0.001","81.041","0.001","10662.3","1.6","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C213.5 H160 N12 O47 Pd2 -","- C213.5 H160 N12 O47 Pd2 -","- C427 H320 N24 O94 Pd4 -","2","1","","Norifumi Kishi; Zhiou Li; Kenji Yoza; Munetaka Akita; Michito Yoshizawa","An M2L4 Molecular Capsule with an Anthracene Shell: Encapsulation of Large Guests up to 1 nm","Journal of the American Chemical Society","2011","133","","11438","11441","10.1021/ja2037029","","","0.71073","MoKα","","0.1412","0.0943","","","0.2877","0.3252","","","","","","1.166","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106470","19.516","0.004","12.763","0.002","28.775","0.005","90","","90","","90","","7167","2","123.1","","123.1","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H29 F18 N6 O2 P3 Ru -","- C28 H27 F18 N6 O2 P3 Ru -","- C224 H216 F144 N48 O16 P24 Ru8 -","8","1","","Takahiko Kojima; Kazuya Nakayama; Kenichiro Ikemura; Takashi Ogura; Shunichi Fukuzumi","Formation of a Ruthenium(IV)-Oxo Complex by Electron-Transfer Oxidation of a Coordinatively Saturated Ruthenium(II) Complex and Detection of Oxygen-Rebound Intermediates in C-H Bond Oxygenation","Journal of the American Chemical Society","2011","133","","11692","11700","10.1021/ja2037645","","","0.7107","MoKα","","","0.0871","","","","0.2005","","","","","","1.237","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106471","6.8663","0.0017","13.572","0.003","11.058","0.003","90","","103.851","0.004","90","","1000.5","0.4","123.1","","123.1","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H8 N4 -","- C12 H8 N4 -","- C48 H32 N16 -","4","1","","Kosuke Namba; Ayumi Osawa; Shoji Ishizaka; Noboru Kitamura; Keiji Tanino","Direct Synthesis of Fluorescent 1,3a,6a-Triazapentalene Derivatives via Click-Cyclization-Aromatization Cascade Reaction","Journal of the American Chemical Society","2011","133","","11466","11469","10.1021/ja203917r","","","0.7107","MoKα","","","0.0461","","","","0.1106","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106472","22.313","0.0014","13.3374","0.0008","19.3698","0.0012","90","","90.352","0.002","90","","5764.3","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H172 Li2 O8 Si12 U2 -","- C80 H148 Li2 O8 Si12 U2 -","- C160 H296 Li4 O16 Si24 U4 -","2","0.5","","Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton","High-Valent Uranium Alkyls: Evidence for the Formation of UVI(CH2SiMe3)6","Journal of the American Chemical Society","2011","133","","11732","11743","10.1021/ja204151v","","","0.71073","MoKα","","0.1234","0.0456","","","0.1196","0.1474","","","","","","0.924","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106473","13.0591","0.0016","13.0591","0.0016","16.136","0.004","90","","90","","120","","2383.2","0.7","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C32 H40 Li O8 Si3 U -","- C32 H24 Li O8 Si3 U -","- C64 H48 Li2 O16 Si6 U2 -","2","0.166667","","Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton","High-Valent Uranium Alkyls: Evidence for the Formation of UVI(CH2SiMe3)6","Journal of the American Chemical Society","2011","133","","11732","11743","10.1021/ja204151v","","","0.71073","MoKα","","0.0419","0.0355","","","0.1002","0.1038","","","","","","1.308","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106474","14.946","0.002","16.125","0.003","15.267","0.002","90","","91.738","0.002","90","","3677.7","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H61 Ag O4 Si3 U -","- C24 H52 Ag O4 Si3 U -","- C96 H208 Ag4 O16 Si12 U4 -","4","1","","Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton","High-Valent Uranium Alkyls: Evidence for the Formation of UVI(CH2SiMe3)6","Journal of the American Chemical Society","2011","133","","11732","11743","10.1021/ja204151v","","","0.71073","MoKα","","0.058","0.0411","","","0.1026","0.1095","","","","","","0.989","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106475","12.3874","0.0004","12.3874","0.0004","19.4321","0.0014","90","","90","","90","","2981.8","0.3","150","2","150","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","","","","- C40 H74 Li O9 Si4 U -","- C40 Li O9 Si4 U -","- C80 Li2 O18 Si8 U2 -","2","0.125","","Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton","High-Valent Uranium Alkyls: Evidence for the Formation of UVI(CH2SiMe3)6","Journal of the American Chemical Society","2011","133","","11732","11743","10.1021/ja204151v","","","0.71073","MoKα","","0.0674","0.0392","","","0.0973","0.1099","","","","","","1.177","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106476","11.0534","0.0016","15.79","0.002","19.038","0.003","90","","92.248","0.002","90","","3320.2","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 Cl4 Li O8 U -","- C20 H48 Cl4 Li O8 U -","- C80 H192 Cl16 Li4 O32 U4 -","4","1","","Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton","High-Valent Uranium Alkyls: Evidence for the Formation of UVI(CH2SiMe3)6","Journal of the American Chemical Society","2011","133","","11732","11743","10.1021/ja204151v","","","0.71073","MoKα","","0.0503","0.035","","","0.0856","0.0922","","","","","","1.001","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106477","13.885","0.004","4.4332","0.0009","10.874","0.002","90","","103.141","0.012","90","","651.8","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- B5 Be6 Cs Na2 O15 -","- B5 Be6 Cs Na2 O15 -","- B10 Be12 Cs2 Na4 O30 -","2","0.5","","Shichao Wang; Ning Ye","Na2CsBe6B5O15: An Alkaline Beryllium Borate as a Deep-UV Nonlinear Optical Crystal","Journal of the American Chemical Society","2011","133","","11458","11461","10.1021/ja204179g","","","0.71073","MoKα","","0.0192","0.0186","","","0.0456","0.0459","","","","","","1.027","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106478","8.902","0.002","11.717","0.003","23.448","0.006","90","","90","","90","","2445.7","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H33.5 N O8 P2 -","- C19 H33 N O8 P2 -","- C76 H132 N4 O32 P8 -","4","1","","Zhi-Yong Xue; Qing-Hua Li; Hai-Yan Tao; Chun-Jiang Wang","A Facile Cu(I)/TF-Bipham Phos-Catalyzed Asymmetric Approach to Unnatural α-Amino Acid Derivatives Containinggem-Bisphosphonates","Journal of the American Chemical Society","2011","133","","11757","11765","10.1021/ja2043563","","","0.71073","MoKα","","0.0953","0.0695","","","0.1746","0.186","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106479","12.3348","0.0009","13.9342","0.0011","22.0311","0.0017","90","","101.403","0.001","90","","3711.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 Cl4 F2 N2 O2 -","- C36 H48 Cl4 F2 N2 O2 -","- C144 H192 Cl16 F8 N8 O8 -","4","1","","Pingping Tang; Weike Wang; Tobias Ritter","Deoxyfluorination of Phenols","Journal of the American Chemical Society","2011","133","","11482","11484","10.1021/ja2048072","","","0.71073","MoKα","","0.0718","0.0579","","","0.1442","0.1547","","","","","","1.024","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106480","16.8925","0.0006","17.2396","0.0006","7.5829","0.0003","90","","90","","90","","2208.29","0.14","153","2","153","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C24 H24 Cl Ir N2 O2 -","- C24 H24 Cl Ir N2 O2 -","- C96 H96 Cl4 Ir4 N8 O8 -","4","0.5","","Fabian M. Conrady; Roland Fröhlich; Christian Schulte to Brinke; Tania Pape; F. Ekkehardt Hahn","Stepwise Formation of a Molecular Square with Bridging NH,O-Substituted Dicarbene Building Blocks","Journal of the American Chemical Society","2011","133","","11496","11499","10.1021/ja205021p","","","0.71073","MoKα","","0.0215","0.0204","","","0.0489","0.0493","","","","","","1.06","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106481","13.0461","0.0012","14.4131","0.0013","14.9493","0.0014","108.111","0.001","98.045","0.001","94.205","0.001","2625","0.4","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H74 Cl4 Ir2 N2 O2 Si2 -","- C46 H74 Cl4 Ir2 N2 O2 Si2 -","- C92 H148 Cl8 Ir4 N4 O4 Si4 -","2","1","","Fabian M. Conrady; Roland Fröhlich; Christian Schulte to Brinke; Tania Pape; F. Ekkehardt Hahn","Stepwise Formation of a Molecular Square with Bridging NH,O-Substituted Dicarbene Building Blocks","Journal of the American Chemical Society","2011","133","","11496","11499","10.1021/ja205021p","","","0.71073","MoKα","","0.0655","0.0339","","","0.0702","0.0808","","","","","","0.969","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106482","16.976","0.0004","16.976","0.0004","43.55","0.002","90","","90","","90","","12550.4","0.7","153","2","153","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C72 H76 Cl8 Ir4 N8 O8 -","- C72 H76 Cl8 Ir4 N8 O8 -","- C288 H304 Cl32 Ir16 N32 O32 -","4","0.25","","Fabian M. Conrady; Roland Fröhlich; Christian Schulte to Brinke; Tania Pape; F. Ekkehardt Hahn","Stepwise Formation of a Molecular Square with Bridging NH,O-Substituted Dicarbene Building Blocks","Journal of the American Chemical Society","2011","133","","11496","11499","10.1021/ja205021p","","","0.71073","MoKα","","0.1067","0.0762","","","0.1743","0.1913","","","","","","1.15","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106483","16.4706","0.0001","17.2338","0.0001","17.5333","0.0001","90","","90","","90","","4976.85","0.05","150","","150","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C39 H54 B2 Cl9 Ir N P3 -","- C39 H54 B2 Cl9 Ir N P3 -","- C156 H216 B8 Cl36 Ir4 N4 P12 -","4","0.5","","Michael O'Neill; David A. Addy; Ian Riddlestone; Michael Kelly; Nicholas Phillips; Simon Aldridge","Borane to Boryl Hydride to Borylene Dihydride: Explicit Demonstration of Boron-to-Metal α-Hydride Migration in Aminoborane Activation","Journal of the American Chemical Society","2011","133","","11500","11503","10.1021/ja2050748","","","0.71073","MoKα","","0.0313","0.0247","","0.0676","0.061","0.0676","","","","","","0.9275","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106484","16.371","0.0004","14.3825","0.0002","15.8506","0.0004","90","","109.749","0.003","90","","3512.6","0.15","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H51 B Cl Ir N P3 -","- C21 H51 B Cl Ir N P3 -","- C84 H204 B4 Cl4 Ir4 N4 P12 -","4","1","","Michael O'Neill; David A. Addy; Ian Riddlestone; Michael Kelly; Nicholas Phillips; Simon Aldridge","Borane to Boryl Hydride to Borylene Dihydride: Explicit Demonstration of Boron-to-Metal α-Hydride Migration in Aminoborane Activation","Journal of the American Chemical Society","2011","133","","11500","11503","10.1021/ja2050748","","","0.71073","MoKα","","0.0504","0.0311","","0.0909","0.0751","0.0908","","","","","","0.8669","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106485","12.1078","0.0001","15.4482","0.0002","15.9503","0.0002","107.918","0.0005","93.8315","0.0005","100.164","0.0005","2770.69","0.06","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H63 B2 Cl8 Ir N P3 -","- C45 H63 B2 Cl8 Ir N P3 -","- C90 H126 B4 Cl16 Ir2 N2 P6 -","2","1","","Michael O'Neill; David A. Addy; Ian Riddlestone; Michael Kelly; Nicholas Phillips; Simon Aldridge","Borane to Boryl Hydride to Borylene Dihydride: Explicit Demonstration of Boron-to-Metal α-Hydride Migration in Aminoborane Activation","Journal of the American Chemical Society","2011","133","","11500","11503","10.1021/ja2050748","","","0.71073","MoKα","","0.0495","0.0349","","0.0715","0.0615","0.0715","","","","","","0.9632","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106486","13.13813","0.00009","21.35767","0.00018","25.9754","0.0002","90","","90","","90","","7288.69","0.1","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H61 B2 F24 Ir N P3 -","- C53 H61 B2 F24 Ir N P3 -","- C212 H244 B8 F96 Ir4 N4 P12 -","4","1","","Michael O'Neill; David A. Addy; Ian Riddlestone; Michael Kelly; Nicholas Phillips; Simon Aldridge","Borane to Boryl Hydride to Borylene Dihydride: Explicit Demonstration of Boron-to-Metal α-Hydride Migration in Aminoborane Activation","Journal of the American Chemical Society","2011","133","","11500","11503","10.1021/ja2050748","","","1.54184","CuKα","","0.0715","0.0692","","0.1997","0.1954","0.1997","","","","","","0.9868","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106487","9.3927","0.0005","17.0136","0.0009","17.322","0.0009","111.963","0.001","95.437","0.001","99.02","0.001","2499.7","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H31 N O2 S Si3 -","- C19 H31 N O2 S Si3 -","- C76 H124 N4 O8 S4 Si12 -","4","2","","Tatsumi Ochiai; Masaaki Nakamoto; Yusuke Inagaki; Akira Sekiguchi","Sulfur-Substituted Tetrahedranes","Journal of the American Chemical Society","2011","133","","11504","11507","10.1021/ja205361a","","","0.71073","MoKα","","0.0418","0.0322","","","0.0805","0.0866","","","","","","1.021","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106488","20.2544","0.0019","13.9007","0.0013","20.932","0.002","90","","117.69","0.001","90","","5218.5","0.9","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,4-dinitrophenyl)thiotetrahedrane","","- C19 H30 N2 O4 S Si3 -","- C19 H30 N2 O4 S Si3 -","- C152 H240 N16 O32 S8 Si24 -","8","2","","Tatsumi Ochiai; Masaaki Nakamoto; Yusuke Inagaki; Akira Sekiguchi","Sulfur-Substituted Tetrahedranes","Journal of the American Chemical Society","2011","133","","11504","11507","10.1021/ja205361a","","","0.71073","MoKα","","0.0642","0.056","","","0.1573","0.1613","","","","","","1.112","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106489","17.366","0.003","9.143","0.0016","17.699","0.003","90","","119.157","0.002","90","","2454.1","0.7","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 O2 S Si3 -","- C19 H32 O2 S Si3 -","- C76 H128 O8 S4 Si12 -","4","1","","Tatsumi Ochiai; Masaaki Nakamoto; Yusuke Inagaki; Akira Sekiguchi","Sulfur-Substituted Tetrahedranes","Journal of the American Chemical Society","2011","133","","11504","11507","10.1021/ja205361a","","","0.71073","MoKα","","0.0431","0.0321","","","0.08","0.0865","","","","","","1.008","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106490","6.6731","0.0019","11.562","0.003","11.907","0.003","77.83","0.004","76.546","0.004","80.917","0.004","867.6","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H14 B Cl N4 O6 -","- C15 H14 B Cl N4 O6 -","- C30 H28 B2 Cl2 N8 O12 -","2","1","","Eric R. Abbey; Lev N. Zakharov; Shih-Yuan Liu","Boron in Disguise: The Parent ""Fused"" BN Indole","Journal of the American Chemical Society","2011","133","","11508","11511","10.1021/ja205779b","","","0.71073","MoKα","","0.0736","0.0594","","","0.1618","0.1737","","","","","","1.071","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106491","7.091","0.004","11.046","0.006","13.008","0.007","104.199","0.009","99.358","0.009","107.318","0.008","911.9","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 B F4 N2 Si -","- C17 H21 B F4 N2 Si -","- C34 H42 B2 F8 N4 Si2 -","2","1","","Eric R. Abbey; Lev N. Zakharov; Shih-Yuan Liu","Boron in Disguise: The Parent ""Fused"" BN Indole","Journal of the American Chemical Society","2011","133","","11508","11511","10.1021/ja205779b","","","0.71073","MoKα","","0.1497","0.0807","","","0.1779","0.216","","","","","","0.986","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106492","26.8541","0.0003","26.8541","0.0003","26.8541","0.0003","90","","90","","90","","19365.6","0.4","298","2","","","","","","","","","","5","F m -3 c","-F 4a 2 3","226","Barium oxonitridophosphate chloride","Barium oxonitridophosphate chloride","","- Ba19 Cl12.54 N61.46 O10.54 P36 -","- Ba19 Cl12.536 N61.488 O10.512 P36 -","- Ba152 Cl100.288 N491.904 O84.096 P288 -","8","0.0416667","","Stefan J. Sedlmaier; Markus Döblinger; Oliver Oeckler; Johannes Weber; Jörn Schmedt auf der Günne; Wolfgang Schnick","Unprecedented Zeolite-Like Framework Topology Constructed from Cages with 3-Rings in a Barium Oxonitridophosphate","Journal of the American Chemical Society","2011","133","","12069","12078","10.1021/ja202159e","powder diffraction","x-ray","0.39998","synchrotron","","","","","","","","0.077","","5.172","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106493","37.5399","0.0017","12.9489","0.0006","22.7366","0.001","90","","127.247","0.001","90","","8798","0.7","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H41 Cu F6 N2 O2 P2 -","- C51 H41 Cu F6 N2 O2 P2 -","- C408 H328 Cu8 F48 N16 O16 P16 -","8","1","","Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen","Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices","Journal of the American Chemical Society","2011","133","","12085","12099","10.1021/ja2026568","","","0.71073","MoKα","","0.0716","0.0584","","","0.163","0.1742","","","","","","1.107","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106494","13.9226","0.0009","20.2681","0.0012","18.113","0.001","90","","90.146","0.001","90","","5111.2","0.5","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C55 H41 Cl4 Cu F6 N2 O P2 -","- C55 H41 Cl4 Cu F6 N2 O P2 -","- C220 H164 Cl16 Cu4 F24 N8 O4 P8 -","4","1","","Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen","Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices","Journal of the American Chemical Society","2011","133","","12085","12099","10.1021/ja2026568","","","0.71073","MoKα","","0.0544","0.0443","","","0.1033","0.1092","","","","","","1.029","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106495","15.8784","0.0007","21.1674","0.0009","23.6769","0.001","90","","90","","90","","7957.9","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H33 Ag F6 N2 O P2 -","- C47 H33 Ag F6 N2 O P2 -","- C376 H264 Ag8 F48 N16 O8 P16 -","8","1","","Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen","Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices","Journal of the American Chemical Society","2011","133","","12085","12099","10.1021/ja2026568","","","0.71073","MoKα","","0.0863","0.069","","","0.1318","0.1385","","","","","","1.216","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106496","8.7933","0.0004","10.1944","0.0004","16.6221","0.0007","73.123","0.001","75.27","0.001","64.73","0.001","1274.71","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H20 Au F6 N2 P -","- C29 H20 Au F6 N2 P -","- C58 H40 Au2 F12 N4 P2 -","2","1","","Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen","Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices","Journal of the American Chemical Society","2011","133","","12085","12099","10.1021/ja2026568","","","0.71073","MoKα","","0.0327","0.0292","","","0.0617","0.0634","","","","","","1.03","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106497","10.3486","0.0005","11.5288","0.0005","13.3285","0.0006","83.087","0.001","85.517","0.001","76.607","0.001","1533.61","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H24 Au F6 N2 P -","- C35 H24 Au F6 N2 P -","- C70 H48 Au2 F12 N4 P2 -","2","1","","Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen","Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices","Journal of the American Chemical Society","2011","133","","12085","12099","10.1021/ja2026568","","","0.71073","MoKα","","0.024","0.022","","","0.0486","0.0494","","","","","","1.025","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106498","13.9852","0.0004","10.6777","0.0004","38.8186","0.0014","90","","97.035","0.001","90","","5753.1","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H22 Au F6 N2 P -","- C33 H22 Au F6 N2 P -","- C264 H176 Au8 F48 N16 P8 -","8","1","","Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen","Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices","Journal of the American Chemical Society","2011","133","","12085","12099","10.1021/ja2026568","","","0.71073","MoKα","","0.0283","0.0253","","","0.0507","0.0517","","","","","","1.12","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106499","11.607","0.002","11.6091","0.0012","6.7825","0.0014","90","","119.57","0.03","90","","794.9","0.3","193","2","100","2","","","","","","","","2","C 1 c 1","C -2yc","9","hydrazoic acid","hydrogen azide","","- H N3 -","- H N3 -","- H16 N48 -","16","4","","Jürgen Evers; Michael Göbel; Burkhard Krumm; Franz Martin; Sergey Medvedyev; Gilbert Oehlinger; Franz Xaver Steemann; Ivan Troyan; Thomas M. Klapötke; Mikhail I. Eremets","Molecular Structure of Hydrazoic Acid with Hydrogen-Bonded Tetramers in Nearly Planar Layers","Journal of the American Chemical Society","2011","133","","12100","12105","10.1021/ja2027053","","","0.71069","MoKα","","0.0244","0.0208","","","0.0494","0.0504","","","","","","1.033","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106500","12.9378","0.0008","8.0214","0.0006","20.4472","0.0011","90","","96.7134","0.0018","90","","2107.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","YS-11-04","trans-3,4-dibenzoyl-tosylpyrrolidine","","- C25 H23 N O4 S -","- C25 H23 N O4 S -","- C100 H92 N4 O16 S4 -","4","1","","Yosuke Ashikari; Toshiki Nokami; Jun-ichi Yoshida","Integrated Electrochemical-Chemical Oxidation Mediated by Alkoxysulfonium Ions","Journal of the American Chemical Society","2011","133","","11840","11843","10.1021/ja202880n","","","0.71075","MoKα","","0.0428","0.0366","","","0.0951","0.0988","","","","","","1.013","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106501","9.418","","18.758","","11.532","","90","","98.94","","90","","2012.53","","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","YS-12-30","","","- C23 H22 O6 -","- C23 H22 O6 -","- C92 H88 O24 -","4","1","","Yosuke Ashikari; Toshiki Nokami; Jun-ichi Yoshida","Integrated Electrochemical-Chemical Oxidation Mediated by Alkoxysulfonium Ions","Journal of the American Chemical Society","2011","133","","11840","11843","10.1021/ja202880n","","","0.71075","MoKα","","0.0837","0.0455","","","0.1151","0.1366","","","","","","1.22","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106502","18.9944","0.0006","11.5379","0.0004","23.2756","0.0007","90","","93.444","0.002","90","","5091.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49.4 H63 Al N4 Na O5 -","- C49.4 H63 Al N4 Na O5 -","- C197.6 H252 Al4 N16 Na4 O20 -","4","1","","Thomas W. Myers; Louise A. Berben","Countercations Direct One- or Two-Electron Oxidation of an Al(III) Complex and Al(III)-Oxo Intermediates Activate C-H Bonds","Journal of the American Chemical Society","2011","133","","11865","11867","10.1021/ja203842s","","","1.54178","CuKα","","0.102","0.0839","","","0.2374","0.2552","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106503","13.444","0.001","12.1181","0.0009","33.736","0.003","90","","94.184","0.002","90","","5481.5","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C59 H88 Al N5 -","- C59 H88 Al N5 -","- C236 H352 Al4 N20 -","4","1","","Thomas W. Myers; Louise A. Berben","Countercations Direct One- or Two-Electron Oxidation of an Al(III) Complex and Al(III)-Oxo Intermediates Activate C-H Bonds","Journal of the American Chemical Society","2011","133","","11865","11867","10.1021/ja203842s","","","0.71073","MoKα","","0.2024","0.0753","","","0.1741","0.242","","","","","","1.089","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106504","21.4551","0.0009","9.6906","0.0004","16.8461","0.0007","90","","113.183","0.001","90","","3219.7","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H92 Al2 N8 O2 -","- C72 H90 Al2 N8 O2 -","- C144 H180 Al4 N16 O4 -","2","0.25","","Thomas W. Myers; Louise A. Berben","Countercations Direct One- or Two-Electron Oxidation of an Al(III) Complex and Al(III)-Oxo Intermediates Activate C-H Bonds","Journal of the American Chemical Society","2011","133","","11865","11867","10.1021/ja203842s","","","0.71073","MoKα","","0.0926","0.0549","","","0.1534","0.1662","","","","","","0.955","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106505","16.26","0.003","14.869","0.003","13.469","0.003","90","","90","","90","","3256.4","1.1","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H34 Cl2 Fe N6 O8 -","- C30 H34 Cl2 Fe N6 O8 -","- C120 H136 Cl8 Fe4 N24 O32 -","4","1","","Seungwoo Hong; Yong-Min Lee; Kyung-Bin Cho; Karuppasamy Sundaravel; Jaeheung Cho; Myoung Jin Kim; Woonsup Shin; Wonwoo Nam","Ligand Topology Effect on the Reactivity of a Mononuclear Nonheme Iron(IV)-Oxo Complex in Oxygenation Reactions","Journal of the American Chemical Society","2011","133","","11876","11879","10.1021/ja204008u","","","0.71073","MoKα","","0.0799","0.0414","","","0.0775","0.0839","","","","","","0.814","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106506","10.064","0.0005","23.0863","0.0012","30.1822","0.0016","90","","90","","90","","7012.5","0.6","170","2","170","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","cis-beta iron(II)(BQCN)(CH~3~CN)~2~ triflate","cis-beta-Fe(II)(C~26~H~28~N~4~)(CH~3~CN)~2~(CF~3~SO~3~)~2~","","- C32 H34 F6 Fe N6 O6 S2 -","- C32 H34 F6 Fe N6 O6 S2 -","- C256 H272 F48 Fe8 N48 O48 S16 -","8","1","","Seungwoo Hong; Yong-Min Lee; Kyung-Bin Cho; Karuppasamy Sundaravel; Jaeheung Cho; Myoung Jin Kim; Woonsup Shin; Wonwoo Nam","Ligand Topology Effect on the Reactivity of a Mononuclear Nonheme Iron(IV)-Oxo Complex in Oxygenation Reactions","Journal of the American Chemical Society","2011","133","","11876","11879","10.1021/ja204008u","","","0.71073","MoKα","","0.112","0.046","","","0.0888","0.0959","","","","","","0.743","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106507","11.0504","0.0012","12.5528","0.0014","24.338","0.003","90","","93.989","0.002","90","","3367.8","0.7","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cis-beta iron(II)(BQCN) triflate monoacetonitrile","cis-beta-Fe(II)(C~26~H~28~N~4~)(CF~3~SO~3~)~2~(CH~3~CN)","","- C30 H31 F6 Fe N5 O6 S2 -","- C30 H31 F6 Fe N5 O6 S2 -","- C120 H124 F24 Fe4 N20 O24 S8 -","4","1","","Seungwoo Hong; Yong-Min Lee; Kyung-Bin Cho; Karuppasamy Sundaravel; Jaeheung Cho; Myoung Jin Kim; Woonsup Shin; Wonwoo Nam","Ligand Topology Effect on the Reactivity of a Mononuclear Nonheme Iron(IV)-Oxo Complex in Oxygenation Reactions","Journal of the American Chemical Society","2011","133","","11876","11879","10.1021/ja204008u","","","0.71073","MoKα","","0.068","0.0425","","","0.0888","0.0934","","","","","","0.869","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106508","27.1144","0.0003","15.1513","0.0002","8.5484","0.0001","90","","90","","90","","3511.84","0.07","160","1","160","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H33 B11 Cl6 F2 Si -","- C26 H33 B11 Cl6 F2 Si -","- C104 H132 B44 Cl24 F8 Si4 -","4","1","","Paola Romanato; Simon Duttwyler; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Competition between π-Arene and Lone-Pair Halogen Coordination of Silylium Ions?","Journal of the American Chemical Society","2011","133","","11844","11846","10.1021/ja2040392","","","0.71073","MoKα","","0.0501","0.0373","","","0.0845","0.0912","","","","","","1.029","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106509","11.54215","0.00011","14.69775","0.00017","19.3449","0.0002","90","","94.908","0.001","90","","3269.71","0.06","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26.86 B11 Cl6.14 F2 Si -","- C23 H26.8639 B11 Cl6.1361 F2 Si -","- C92 H107.456 B44 Cl24.5444 F8 Si4 -","4","1","","Paola Romanato; Simon Duttwyler; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Competition between π-Arene and Lone-Pair Halogen Coordination of Silylium Ions?","Journal of the American Chemical Society","2011","133","","11844","11846","10.1021/ja2040392","","","0.71073","MoKα","","0.0376","0.0279","","","0.0794","0.0822","","","","","","1.06","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106510","9.47605","0.00007","18.88054","0.00014","20.51762","0.00018","90","","90","","90","","3670.87","0.05","293","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 B11 Cl8 Si -","- C25 H31 B11 Cl8 Si -","- C100 H124 B44 Cl32 Si4 -","4","1","","Paola Romanato; Simon Duttwyler; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Competition between π-Arene and Lone-Pair Halogen Coordination of Silylium Ions?","Journal of the American Chemical Society","2011","133","","11844","11846","10.1021/ja2040392","","","0.71073","MoKα","","0.0339","0.028","","","0.0687","0.0702","","","","","","1.026","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106511","9.0439","0.0011","10.4536","0.0013","12.3764","0.0016","68.485","0.002","84.128","0.002","77.745","0.002","1063.4","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","10016a","","","- C15 H35 Cl2 Fe N7 -","- C15 H35 Cl2 Fe N7 -","- C30 H70 Cl4 Fe2 N14 -","2","1","","Jason England; Yisong Guo; Katherine M. Van Heuvelen; Matthew A. Cranswick; Gregory T. Rohde; Emile L. Bominaar; Eckard Münck; Lawrence Que","A More Reactive Trigonal-Bipyramidal High-Spin Oxoiron(IV) Complex with a cis-Labile Site","Journal of the American Chemical Society","2011","133","","11880","11883","10.1021/ja2040909","","","0.71073","MoKα","","0.0318","0.0259","","","0.0651","0.0683","","","","","","1.041","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106512","18.512","0.003","9.1559","0.0014","17.378","0.003","90","","106.291","0.002","90","","2827.2","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","09197a","","","- C17 H35 F6 Fe N7 O6 S2 -","- C17 H35 F6 Fe N7 O6 S2 -","- C68 H140 F24 Fe4 N28 O24 S8 -","4","1","","Jason England; Yisong Guo; Katherine M. Van Heuvelen; Matthew A. Cranswick; Gregory T. Rohde; Emile L. Bominaar; Eckard Münck; Lawrence Que","A More Reactive Trigonal-Bipyramidal High-Spin Oxoiron(IV) Complex with a cis-Labile Site","Journal of the American Chemical Society","2011","133","","11880","11883","10.1021/ja2040909","","","0.71073","MoKα","","0.0581","0.0379","","","0.0732","0.0798","","","","","","1.014","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106513","27.2749","0.0018","27.2749","0.0018","87.561","0.005","90","","90","","120","","56412","6","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C38 H38 B2 N12 O5 Zn2 -","- C38 H38 B2 N12 O5 Zn2 -","- C1368 H1368 B72 N432 O180 Zn72 -","36","1","","Hai-Xia Zhang; Fei Wang; Hui Yang; Yan-Xi Tan; Jian Zhang; Xianhui Bu","Interrupted Zeolite LTA and ATN-Type Boron Imidazolate Frameworks","Journal of the American Chemical Society","2011","133","","11884","11887","10.1021/ja2040927","","","0.71073","MoKα","","0.0646","0.0604","","","0.1939","0.2004","","","","","","1.091","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106514","18.8569","0.0004","18.8569","0.0004","16.0871","0.0007","90","","90","","90","","5720.3","0.3","173","2","173","2","","","","","","","","6","I -4","I -4","82","","","","- C38 H40 B2 N12 O4 Zn2 -","- C38 H40 B2 N12 O4 Zn2 -","- C152 H160 B8 N48 O16 Zn8 -","4","0.5","","Hai-Xia Zhang; Fei Wang; Hui Yang; Yan-Xi Tan; Jian Zhang; Xianhui Bu","Interrupted Zeolite LTA and ATN-Type Boron Imidazolate Frameworks","Journal of the American Chemical Society","2011","133","","11884","11887","10.1021/ja2040927","","","0.71073","MoKα","","0.106","0.0557","","","0.1499","0.1605","","","","","","0.859","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106515","8.8623","0.0006","8.8693","0.0005","21.6431","0.0013","90.066","0.003","89.973","0.003","119.982","0.003","1473.55","0.16","","","293","","","","","","","","","4","P -1","-P 1","2","","","","- Na9 O36 P9 Ti6 -","- Na8.8552 O36 P9 Ti6 -","- Na17.7104 O72 P18 Ti12 -","2","1","","Houria Kabbour; Daniel Coillot; Marie Colmont; Christian Masquelier; Olivier Mentré","α-Na3M2(PO4)3 (M = Ti, Fe): Absolute Cationic Ordering in NASICON-Type Phases","Journal of the American Chemical Society","2011","133","","11900","11903","10.1021/ja204321y","","","0.71073","MoKα","","0.0599","0.0334","","","0.0314","0.0497","","","","1.55","1.55","1.92","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106516","12.5388","0.0004","12.5388","0.0004","78.145","0.005","90","","90","","90","","12286.1","1","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C57 H58 B F24 Ir O2 P2 -","- C57 H58 B F24 Ir O2 P2 -","- C456 H464 B8 F192 Ir8 O16 P16 -","8","1","","Michael Findlater; Alison Cartwright-Sykes; Peter S. White; Cynthia K. Schauer; Maurice Brookhart","Role of Coordination Geometry in Dictating the Barrier to Hydride Migration in d6 Square-Pyramidal Iridium and Rhodium Pincer Complexes","Journal of the American Chemical Society","2011","133","","12274","12284","10.1021/ja204851x","","","1.54178","CuKα","","0.0352","0.0351","","","0.0803","0.0804","","","","","","1.216","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106517","9.2234","0.0002","17.7084","0.0005","9.9464","0.0003","90","","100.953","0.002","90","","1594.97","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H31 Cl2 P -","- C41 H31 Cl2 P -","- C82 H62 Cl4 P2 -","2","1","","Yuji Fujiwara; Gregory C. Fu","Application of a New Chiral Phosphepine to the Catalytic Asymmetric Synthesis of Highly Functionalized Cyclopentenes That Bear an Array of Heteroatom-Substituted Quaternary Stereocenters","Journal of the American Chemical Society","2011","133","","12293","12297","10.1021/ja2049012","","","1.54178","CuKα","","0.033","0.032","","","0.0836","0.0844","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106518","8.3572","0.0003","12.4724","0.0004","26.0754","0.0008","90","","90","","90","","2717.95","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 N2 O4 -","- C31 H36 N2 O4 -","- C124 H144 N8 O16 -","4","1","","Yuji Fujiwara; Gregory C. Fu","Application of a New Chiral Phosphepine to the Catalytic Asymmetric Synthesis of Highly Functionalized Cyclopentenes That Bear an Array of Heteroatom-Substituted Quaternary Stereocenters","Journal of the American Chemical Society","2011","133","","12293","12297","10.1021/ja2049012","","","1.54178","CuKα","","0.0256","0.0254","","","0.0653","0.0657","","","","","","1.037","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106519","12.0044","0.0001","15.5921","0.0002","16.7986","0.0002","65.209","0.001","76.525","0.001","89.311","0.001","2762.81","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H37.25 N O8.12 -","- C28 H37.25 N O8.125 -","- C112 H149 N4 O32.5 -","4","4","","Yuji Fujiwara; Gregory C. Fu","Application of a New Chiral Phosphepine to the Catalytic Asymmetric Synthesis of Highly Functionalized Cyclopentenes That Bear an Array of Heteroatom-Substituted Quaternary Stereocenters","Journal of the American Chemical Society","2011","133","","12293","12297","10.1021/ja2049012","","","1.54178","CuKα","","0.0307","0.0304","","","0.0807","0.081","","","","","","1.039","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106520","13.1781","0.0003","9.1516","0.0002","15.7055","0.0003","90","","99.371","0.001","90","","1868.82","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 Cl O5 P -","- C17 H22 Cl O5 P -","- C68 H88 Cl4 O20 P4 -","4","2","","Yuji Fujiwara; Gregory C. Fu","Application of a New Chiral Phosphepine to the Catalytic Asymmetric Synthesis of Highly Functionalized Cyclopentenes That Bear an Array of Heteroatom-Substituted Quaternary Stereocenters","Journal of the American Chemical Society","2011","133","","12293","12297","10.1021/ja2049012","","","1.54178","CuKα","","0.027","0.0266","","","0.0708","0.0712","","","","","","1.041","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106521","9.5202","0.0003","10.1753","0.0003","16.8674","0.0005","90","","94.524","0.002","90","","1628.87","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H51 N O7 -","- C34 H51 N O7 -","- C68 H102 N2 O14 -","2","1","","Yuji Fujiwara; Gregory C. Fu","Application of a New Chiral Phosphepine to the Catalytic Asymmetric Synthesis of Highly Functionalized Cyclopentenes That Bear an Array of Heteroatom-Substituted Quaternary Stereocenters","Journal of the American Chemical Society","2011","133","","12293","12297","10.1021/ja2049012","","","1.54178","CuKα","","0.0555","0.0511","","","0.1396","0.1448","","","","","","1.029","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106522","11.195","0.003","16.747","0.004","16.954","0.003","66.344","0.014","83.747","0.019","84.97","0.02","2890.8","1.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H61 Cl2 N6 O9 P -","- C63 H57 Cl2 N6 O9 P -","- C126 H114 Cl4 N12 O18 P2 -","2","1","","Rehan Ahmed; Andrea Altieri; Daniel M. D'Souza; David A. Leigh; Kathleen M. Mullen; Marcus Papmeyer; Alexandra M. Z. Slawin; Jenny K. Y. Wong; J. Derek Woollins","Phosphorus-Based Functional Groups as Hydrogen Bonding Templates for Rotaxane Formation","Journal of the American Chemical Society","2011","133","","12304","12310","10.1021/ja2049786","","","0.71073","MoKα","","0.2643","0.1684","","","0.4024","0.4691","","","","","","1.231","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106523","11.2904","0.0009","17.0438","0.0014","19.3603","0.0016","99.939","0.001","99.152","0.001","108.496","0.001","3387.7","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C62.5 H63 Cl N6 O9 P S -","- C62.5 H57 Cl N6 O9 P S -","- C125 H114 Cl2 N12 O18 P2 S2 -","2","1","","Rehan Ahmed; Andrea Altieri; Daniel M. D'Souza; David A. Leigh; Kathleen M. Mullen; Marcus Papmeyer; Alexandra M. Z. Slawin; Jenny K. Y. Wong; J. Derek Woollins","Phosphorus-Based Functional Groups as Hydrogen Bonding Templates for Rotaxane Formation","Journal of the American Chemical Society","2011","133","","12304","12310","10.1021/ja2049786","","","0.71073","MoKα","","0.2339","0.124","","","0.3312","0.3892","","","","","","1.131","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106524","11.2835","0.0011","17.0534","0.0016","19.5006","0.0019","100.417","0.002","99.293","0.002","108.483","0.002","3402.5","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C62.5 H60 Cl N6 O8 P Se -","- C62.5 H57 Cl N6 O8 P Se -","- C125 H114 Cl2 N12 O16 P2 Se2 -","2","1","","Rehan Ahmed; Andrea Altieri; Daniel M. D'Souza; David A. Leigh; Kathleen M. Mullen; Marcus Papmeyer; Alexandra M. Z. Slawin; Jenny K. Y. Wong; J. Derek Woollins","Phosphorus-Based Functional Groups as Hydrogen Bonding Templates for Rotaxane Formation","Journal of the American Chemical Society","2011","133","","12304","12310","10.1021/ja2049786","","","0.71073","MoKα","","0.3005","0.1456","","","0.3702","0.4299","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106525","10.159","0.002","12.609","0.005","13.2847","0.0017","75.17","0.04","65.18","0.05","79.37","0.05","1487.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H56 Cl6 N6 O6 P2 -","- C60 H56 Cl6 N6 O6 P2 -","- C60 H56 Cl6 N6 O6 P2 -","1","0.5","","Rehan Ahmed; Andrea Altieri; Daniel M. D'Souza; David A. Leigh; Kathleen M. Mullen; Marcus Papmeyer; Alexandra M. Z. Slawin; Jenny K. Y. Wong; J. Derek Woollins","Phosphorus-Based Functional Groups as Hydrogen Bonding Templates for Rotaxane Formation","Journal of the American Chemical Society","2011","133","","12304","12310","10.1021/ja2049786","","","1.54178","CuKα","","0.2632","0.2367","","","0.5928","0.6115","","","","","","2.464","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106526","13.3677","0.0017","11.6746","0.0015","17.642","0.002","90","","100.17","","90","","2710","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H59 N5 O8 P2 -","- C59 H59 N5 O8 P2 -","- C118 H118 N10 O16 P4 -","2","0.5","","Rehan Ahmed; Andrea Altieri; Daniel M. D'Souza; David A. Leigh; Kathleen M. Mullen; Marcus Papmeyer; Alexandra M. Z. Slawin; Jenny K. Y. Wong; J. Derek Woollins","Phosphorus-Based Functional Groups as Hydrogen Bonding Templates for Rotaxane Formation","Journal of the American Chemical Society","2011","133","","12304","12310","10.1021/ja2049786","","","0.71073","MoKα","","0.2006","0.078","","","0.1529","0.2068","","","","","","1.005","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106527","9.697","0.0005","29.0923","0.0013","13.9203","0.0007","90","","103.605","0.001","90","","3816.8","0.3","186","2","186","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 Cl2 Dy2 N7 O9 -","- C33 H37 Cl2 Dy2 N7 O9 -","- C132 H148 Cl8 Dy8 N28 O36 -","4","1","","Yun-Nan Guo; Gong-Feng Xu; Wolfgang Wernsdorfer; Liviu Ungur; Yang Guo; Jinkui Tang; Hong-Jie Zhang; Liviu F. Chibotaru; Annie K. Powell","Strong Axiality and Ising Exchange Interaction Suppress Zero-Field Tunneling of Magnetization of an Asymmetric Dy2 Single-Molecule Magnet","Journal of the American Chemical Society","2011","133","","11948","11951","10.1021/ja205035g","","","0.71073","MoKα","","0.0618","0.0352","","","0.0624","0.0705","","","","","","1.001","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106528","12.306","0.002","15.287","0.002","7.0855","0.0011","90","","98.782","0.006","90","","1317.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","César R. Solorio-Alvarado; Yahui Wang; Antonio M. Echavarren","Cyclopropanation with Gold(I) Carbenes by Retro-Buchner Reaction from Cycloheptatrienes","Journal of the American Chemical Society","2011","133","","11952","11955","10.1021/ja205046h","","","0.71073","MoKα","","0.0648","0.0471","","","0.1091","0.1189","","","","","","1.038","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4106529","8.8529","0.0009","6.2316","0.0006","16.8666","0.0014","90","","102.238","0.007","90","","909.35","0.15","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H24 O3 -","- C22 H24 O3 -","- C44 H48 O6 -","2","1","","Yajing Lian; Huw M. L. Davies","Combined C-H Functionalization/Cope Rearrangement with Vinyl Ethers as a Surrogate for the Vinylogous Mukaiyama Aldol Reaction","Journal of the American Chemical Society","2011","133","","11940","11943","10.1021/ja2051155","","","1.54178","CuKα","","0.0426","0.0383","","","0.097","0.0996","","","","","","1.111","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106530","8.4696","0.0001","8.2702","0.0002","15.7541","0.0003","90","","103.045","0.001","90","","1075.02","0.04","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H28 O3 -","- C25 H28 O3 -","- C50 H56 O6 -","2","1","","Yajing Lian; Huw M. L. Davies","Combined C-H Functionalization/Cope Rearrangement with Vinyl Ethers as a Surrogate for the Vinylogous Mukaiyama Aldol Reaction","Journal of the American Chemical Society","2011","133","","11940","11943","10.1021/ja2051155","","","1.54178","CuKα","","0.0343","0.032","","","0.0834","0.0855","","","","","","1.017","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106531","8.8153","0.0007","9.6717","0.0008","10.6323","0.0009","90","","99.8","0.005","90","","893.27","0.13","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O3 -","- C20 H26 O3 -","- C40 H52 O6 -","2","1","","Yajing Lian; Huw M. L. Davies","Combined C-H Functionalization/Cope Rearrangement with Vinyl Ethers as a Surrogate for the Vinylogous Mukaiyama Aldol Reaction","Journal of the American Chemical Society","2011","133","","11940","11943","10.1021/ja2051155","","","1.54178","CuKα","","0.0307","0.03","","","0.0735","0.0742","","","","","","1.039","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106532","11.463","0.004","22.062","0.008","15.984","0.006","90","","107.21","0.007","90","","3861","2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H49 N3 O2 -","- C47 H49 N3 O2 -","- C188 H196 N12 O8 -","4","2","","Hei Man Cheng; David A. Leigh; Francesca Maffei; Paul R. McGonigal; Alexandra M. Z. Slawin; Jhenyi Wu","En Route to a Molecular Sheaf: Active Metal Template Synthesis of a [3]Rotaxane with Two Axles Threaded through One Ring","Journal of the American Chemical Society","2011","133","","12298","12303","10.1021/ja205167e","","","1.54178","CuKα","","0.1409","0.1077","","","0.2891","0.3276","","","","","","1.129","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106533","48.61","0.02","13.472","0.006","15.627","0.007","90","","92.939","0.01","90","","10220","8","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H66 Cl2 N4 Ni O4 -","- C54 H66 Cl2 N4 Ni O4 -","- C432 H528 Cl16 N32 Ni8 O32 -","8","1","","Hei Man Cheng; David A. Leigh; Francesca Maffei; Paul R. McGonigal; Alexandra M. Z. Slawin; Jhenyi Wu","En Route to a Molecular Sheaf: Active Metal Template Synthesis of a [3]Rotaxane with Two Axles Threaded through One Ring","Journal of the American Chemical Society","2011","133","","12298","12303","10.1021/ja205167e","","","0.71073","MoKα","","0.3606","0.3104","","","0.6109","0.628","","","","","","1.889","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106534","15.632","0.006","19.012","0.008","20.288","0.009","105.149","0.007","102.006","0.004","96.112","0.006","5609","4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C128.5 H148.5 Cl4.5 N3 O4 -","- C128.5 H148.5 Cl4.5 N3 O4 -","- C257 H297 Cl9 N6 O8 -","2","1","","Hei Man Cheng; David A. Leigh; Francesca Maffei; Paul R. McGonigal; Alexandra M. Z. Slawin; Jhenyi Wu","En Route to a Molecular Sheaf: Active Metal Template Synthesis of a [3]Rotaxane with Two Axles Threaded through One Ring","Journal of the American Chemical Society","2011","133","","12298","12303","10.1021/ja205167e","","","0.71073","MoKα","","0.2461","0.2014","","","0.502","0.5281","","","","","","1.704","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106535","14.886","0.003","25.124","0.006","29.79","0.007","91.765","0.01","100.119","0.009","90.483","0.013","10962","4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C217 H255 Cl30 N3 O6 -","- C207 H245 N3 O6 -","- C414 H490 N6 O12 -","2","1","","Hei Man Cheng; David A. Leigh; Francesca Maffei; Paul R. McGonigal; Alexandra M. Z. Slawin; Jhenyi Wu","En Route to a Molecular Sheaf: Active Metal Template Synthesis of a [3]Rotaxane with Two Axles Threaded through One Ring","Journal of the American Chemical Society","2011","133","","12298","12303","10.1021/ja205167e","","","1.54178","CuKα","","0.2215","0.19","","","0.4756","0.5084","","","","","","1.731","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106536","8.439","0.002","10.943","0.002","14.35","0.003","95.67","0.02","103.27","0.03","93.68","0.02","1278.3","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H41 N3 Si3 -","- C21 H41 N3 Si3 -","- C42 H82 N6 Si6 -","2","1","","Sakya S. Sen; Jakob Hey; Regine Herbst-Irmer; Herbert W. Roesky; Dietmar Stalke","Striking Stability of a Substituted Silicon(II) Bis(trimethylsilyl)amide and the Facile Si-Me Bond Cleavage without a Transition Metal Catalyst","Journal of the American Chemical Society","2011","133","","12311","12316","10.1021/ja205369h","","","0.71073","MoKα","","0.0291","0.0277","","","0.0739","0.075","","","","","","1.028","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106537","12.866","0.002","16.639","0.002","17.09","0.003","90.72","0.02","108.43","0.03","91.82","0.02","3468.2","1.1","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H56 N3 P Si3 -","- C32 H56 N3 P Si3 -","- C128 H224 N12 P4 Si12 -","4","2","","Sakya S. Sen; Jakob Hey; Regine Herbst-Irmer; Herbert W. Roesky; Dietmar Stalke","Striking Stability of a Substituted Silicon(II) Bis(trimethylsilyl)amide and the Facile Si-Me Bond Cleavage without a Transition Metal Catalyst","Journal of the American Chemical Society","2011","133","","12311","12316","10.1021/ja205369h","","","0.56086","AgKα","","0.0471","0.0366","","","0.0937","0.0998","","","","","","1.026","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106538","15.5405","0.0011","22.8781","0.0016","13.0991","0.0009","90","","96.3383","0.0012","90","","4628.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 B12 Br6 Cl2 N3 -","- C40 H31 B12 Br6 Cl2 N3 -","- C160 H124 B48 Br24 Cl8 N12 -","4","1","","Eiji Tsurumaki; Shin-ya Hayashi; Fook S. Tham; Christopher A. Reed; Atsuhiro Osuka","Planar Subporphyrin Borenium Cations","Journal of the American Chemical Society","2011","133","","11956","11959","10.1021/ja2056566","","","0.71073","MoKα","","0.0392","0.028","","","0.0749","0.0798","","","","","","1.062","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106539","15.4879","0.0008","22.9139","0.0011","12.9574","0.0006","90","","97.3448","0.0008","90","","4560.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 B12 Br6 N3 -","- C41 H35 B12 Br6 N3 -","- C164 H140 B48 Br24 N12 -","4","1","","Eiji Tsurumaki; Shin-ya Hayashi; Fook S. Tham; Christopher A. Reed; Atsuhiro Osuka","Planar Subporphyrin Borenium Cations","Journal of the American Chemical Society","2011","133","","11956","11959","10.1021/ja2056566","","","0.71073","MoKα","","0.06","0.0336","","","0.0792","0.0886","","","","","","1.073","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106540","15.6543","0.0009","22.8709","0.0013","12.8313","0.0007","90","","98.0451","0.0009","90","","4548.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 B12 Br6 Cl N3 -","- C40 H32 B12 Br6 Cl N3 -","- C160 H128 B48 Br24 Cl4 N12 -","4","1","","Eiji Tsurumaki; Shin-ya Hayashi; Fook S. Tham; Christopher A. Reed; Atsuhiro Osuka","Planar Subporphyrin Borenium Cations","Journal of the American Chemical Society","2011","133","","11956","11959","10.1021/ja2056566","","","0.71073","MoKα","","0.0499","0.0296","","","0.0656","0.0717","","","","","","1.012","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106541","10.4383","0.0002","11.4249","0.0003","13.4169","0.0003","103.218","0.0014","110.665","0.0013","104.254","0.0014","1360.35","0.06","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H26 B N3 -","- C39 H26 B N3 -","- C78 H52 B2 N6 -","2","1","","Eiji Tsurumaki; Shin-ya Hayashi; Fook S. Tham; Christopher A. Reed; Atsuhiro Osuka","Planar Subporphyrin Borenium Cations","Journal of the American Chemical Society","2011","133","","11956","11959","10.1021/ja2056566","","","1.54187","CuKα","","0.0888","0.0575","","","0.1275","0.1533","","","","","","0.976","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106542","15.8497","0.0012","25.8968","0.0011","17.0594","0.0007","90","","95.87","","90","","6965.4","0.7","90","2","90","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C42 H54 Ge -","- C42 H54 Ge -","- C336 H432 Ge8 -","8","1","","Owen T. Summerscales; James C. Fettinger; Philip P. Power","C-H Activation of Cycloalkenes by Dimetallynes (M = Ge, Sn) under Ambient Conditions","Journal of the American Chemical Society","2011","133","","11960","11963","10.1021/ja205816d","","","0.71073","MoKα","","0.049","0.0351","","","0.074","0.079","","","","","","1.023","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106543","18.0854","0.0015","10.1004","0.0008","33.039","0.003","90","","92.544","0.002","90","","6029.3","0.9","90","2","90","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C35 H42 Ge -","- C35 H42 Ge -","- C280 H336 Ge8 -","8","1","","Owen T. Summerscales; James C. Fettinger; Philip P. Power","C-H Activation of Cycloalkenes by Dimetallynes (M = Ge, Sn) under Ambient Conditions","Journal of the American Chemical Society","2011","133","","11960","11963","10.1021/ja205816d","","","1.54178","CuKα","","0.0279","0.0277","","","0.0757","0.0758","","","","","","1.062","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106544","8.446","0.003","13.046","0.004","15.923","0.005","70.057","0.004","85.699","0.005","78.622","0.004","1616.8","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.33 H23.33 Br0.67 Ni0.67 P1.33 -","- C25.3333 H23.3333 Br0.666667 Ni0.666667 P1.33333 -","- C76 H70 Br2 Ni2 P4 -","3","1.5","","Christopher A. Traina; Ronald C. Bakus II; Guillermo C. Bazan","Design and Synthesis of Monofunctionalized, Water-Soluble Conjugated Polymers for Biosensing and Imaging Applications","Journal of the American Chemical Society","2011","133","","12600","12607","10.1021/ja202877q","","","0.71073","MoKα","","0.0639","0.0476","","","0.1158","0.1308","","","","","","1.245","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106545","21.936","0.003","19.036","0.002","24.287","0.003","90","","90","","90","","10142","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C62 H54 Ni P4 -","- C62 H54 Ni P4 -","- C496 H432 Ni8 P32 -","8","1","","Christopher A. Traina; Ronald C. Bakus II; Guillermo C. Bazan","Design and Synthesis of Monofunctionalized, Water-Soluble Conjugated Polymers for Biosensing and Imaging Applications","Journal of the American Chemical Society","2011","133","","12600","12607","10.1021/ja202877q","","","0.71073","MoKα","","0.1052","0.0675","","","0.1464","0.16","","","","","","1.169","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106546","10.62017","0.00015","10.62017","0.00015","9.84171","0.00014","90","","90","","120","","961.31","0.02","293","2","293","2","","","","","","","","5","P 31","P 31","144","","","","- C11 H11 N O5 Sr -","- C11 H11 N O5 Sr -","- C33 H33 N3 O15 Sr3 -","3","1","","Chen Pan; Jiangpu Nan; Xueliang Dong; Xiao-Ming Ren; Wanqin Jin","A Highly Thermally Stable Ferroelectric Metal-Organic Framework and Its Thin Film with Substrate Surface Nature Dependent Morphology","Journal of the American Chemical Society","2011","133","","12330","12333","10.1021/ja2031568","","","1.54184","CuKα","","0.0242","0.0242","","","0.0642","0.0642","","","","","","1.071","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106547","10.6396","0.0003","10.6396","0.0003","9.8731","0.0003","90","","90","","120","","967.91","0.05","403","2","293","2","","","","","","","","5","P 31","P 31","144","","","","- C11 H11 N O5 Sr -","- C11 H11 N O5 Sr -","- C33 H33 N3 O15 Sr3 -","3","1","","Chen Pan; Jiangpu Nan; Xueliang Dong; Xiao-Ming Ren; Wanqin Jin","A Highly Thermally Stable Ferroelectric Metal-Organic Framework and Its Thin Film with Substrate Surface Nature Dependent Morphology","Journal of the American Chemical Society","2011","133","","12330","12333","10.1021/ja2031568","","","1.54184","CuKα","","0.0231","0.023","","","0.0636","0.0636","","","","","","1.148","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106548","10.6123","0.0002","10.6123","0.0002","9.8289","0.0002","90","","90","","120","","958.64","0.03","243","2","243","2","","","","","","","","5","P 31","P 31","144","","","","- C11 H11 N O5 Sr -","- C11 H11 N O5 Sr -","- C33 H33 N3 O15 Sr3 -","3","1","","Chen Pan; Jiangpu Nan; Xueliang Dong; Xiao-Ming Ren; Wanqin Jin","A Highly Thermally Stable Ferroelectric Metal-Organic Framework and Its Thin Film with Substrate Surface Nature Dependent Morphology","Journal of the American Chemical Society","2011","133","","12330","12333","10.1021/ja2031568","","","1.54184","CuKα","","0.0204","0.0204","","","0.0553","0.0554","","","","","","1.115","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106549","5.4168","0.0008","9.594","0.0015","23.395","0.004","90","","93.42","0.011","90","","1213.6","0.3","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 Cl N2 O4 -","- C25 H33 Cl N2 O4 -","- C50 H66 Cl2 N4 O8 -","2","1","","Arjun Raghuraman; Eunhwa Ko; Lisa M. Perez; Thomas R. Ioerger; Kevin Burgess","Pyrrolinone-Pyrrolidine Oligomers as Universal Peptidomimetics","Journal of the American Chemical Society","2011","133","","12350","12353","10.1021/ja2033734","","","1.54178","CuKα","","0.0865","0.0604","","","0.1347","0.1492","","","","","","1.009","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106550","11.8906","0.0006","5.7704","0.0003","13.5908","0.0007","90","","106.185","0.004","90","","895.55","0.08","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H27 Cl N2 O2 -","- C19 H27 Cl N2 O2 -","- C38 H54 Cl2 N4 O4 -","2","1","","Arjun Raghuraman; Eunhwa Ko; Lisa M. Perez; Thomas R. Ioerger; Kevin Burgess","Pyrrolinone-Pyrrolidine Oligomers as Universal Peptidomimetics","Journal of the American Chemical Society","2011","133","","12350","12353","10.1021/ja2033734","","","1.54178","CuKα","","0.0723","0.0634","","","0.1608","0.1691","","","","","","1.008","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106551","9.08","0.003","6.0442","0.0011","33.842","0.009","90","","95.46","0.02","90","","1848.9","0.9","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H28.5 N2 O2 S -","- C17 H28.5 N2 O2 S -","- C68 H114 N8 O8 S4 -","4","2","","Arjun Raghuraman; Eunhwa Ko; Lisa M. Perez; Thomas R. Ioerger; Kevin Burgess","Pyrrolinone-Pyrrolidine Oligomers as Universal Peptidomimetics","Journal of the American Chemical Society","2011","133","","12350","12353","10.1021/ja2033734","","","1.54178","CuKα","","0.1248","0.1036","","","0.2324","0.2477","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106552","47.974","0.004","9.6045","0.0009","11.7572","0.0012","90","","90","","90","","5417.3","0.9","90","2","90","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C26.5 H26 Br Cl N2 O5 -","- C26.5 H26 Br Cl N2 O5 -","- C212 H208 Br8 Cl8 N16 O40 -","8","2","","Bin Tan; Gloria Hernández-Torres; Carlos F. Barbas","Highly Efficient Hydrogen-Bonding Catalysis of the Diels-Alder Reaction of 3-Vinylindoles and Methyleneindolinones Provides Carbazolespirooxindole Skeletons","Journal of the American Chemical Society","2011","133","","12354","12357","10.1021/ja203812h","","","1.54178","CuKα","","0.053","0.0515","","","0.1374","0.1384","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106553","15.3344","0.0008","11.4973","0.0006","14.4707","0.0008","90","","97.947","0.01","90","","2526.7","0.2","301","2","301","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O2 Pt S3 -","- C26 H25 N O2 Pt S3 -","- C104 H100 N4 O8 Pt4 S12 -","4","1","","Jacky Chi-Hung Chan; Wai Han Lam; Hok-Lai Wong; Nianyong Zhu; Wing-Tak Wong; Vivian Wing-Wah Yam","Diarylethene-Containing Cyclometalated Platinum(II) Complexes: Tunable Photochromism via Metal Coordination and Rational Ligand Design","Journal of the American Chemical Society","2011","133","","12690","12705","10.1021/ja203946g","","","0.71073","MoKα","","0.0219","0.0192","","","0.0484","0.0497","","","","","","1.046","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106554","24.4562","0.0012","7.1073","0.0003","32.098","0.0015","90","","90","","90","","5579.2","0.4","297","2","297","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H19 F6 N O2 Pt S3 -","- C25.24 H19 F4.86 N O2 Pt S3 -","- C201.92 H152 F38.88 N8 O16 Pt8 S24 -","8","1","","Jacky Chi-Hung Chan; Wai Han Lam; Hok-Lai Wong; Nianyong Zhu; Wing-Tak Wong; Vivian Wing-Wah Yam","Diarylethene-Containing Cyclometalated Platinum(II) Complexes: Tunable Photochromism via Metal Coordination and Rational Ligand Design","Journal of the American Chemical Society","2011","133","","12690","12705","10.1021/ja203946g","","","0.71073","MoKα","","0.0602","0.0365","","","0.0691","0.0771","","","","","","1.082","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106555","23.202","0.004","15.922","0.003","15.283","0.003","90","","107.969","0.003","90","","5370.5","1.7","306","2","306","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 F3 N O2 Pt S3 -","- C27 H24 F3 N O2 Pt S3 -","- C216 H192 F24 N8 O16 Pt8 S24 -","8","1","","Jacky Chi-Hung Chan; Wai Han Lam; Hok-Lai Wong; Nianyong Zhu; Wing-Tak Wong; Vivian Wing-Wah Yam","Diarylethene-Containing Cyclometalated Platinum(II) Complexes: Tunable Photochromism via Metal Coordination and Rational Ligand Design","Journal of the American Chemical Society","2011","133","","12690","12705","10.1021/ja203946g","","","0.71073","MoKα","","0.027","0.0224","","","0.0535","0.0552","","","","","","1.015","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106556","8.412","0.0007","9.606","0.0007","16.498","0.0013","90.585","0.01","92.948","0.01","91.306","0.01","1330.94","0.18","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 N O2 Pt S3 -","- C27 H27 N O2 Pt S3 -","- C54 H54 N2 O4 Pt2 S6 -","2","1","","Jacky Chi-Hung Chan; Wai Han Lam; Hok-Lai Wong; Nianyong Zhu; Wing-Tak Wong; Vivian Wing-Wah Yam","Diarylethene-Containing Cyclometalated Platinum(II) Complexes: Tunable Photochromism via Metal Coordination and Rational Ligand Design","Journal of the American Chemical Society","2011","133","","12690","12705","10.1021/ja203946g","","","0.71073","MoKα","","0.021","0.0189","","","0.0472","0.0484","","","","","","1.011","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106557","7.0412","0.0009","12.5626","0.0016","18.034","0.002","96.176","0.002","100.995","0.002","105.429","0.002","1488.2","0.3","305","2","305","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H19 F6 N O2 Pt S4 -","- C28 H19 F4.59 N O2 Pt S4 -","- C56 H38 F9.18 N2 O4 Pt2 S8 -","2","1","","Jacky Chi-Hung Chan; Wai Han Lam; Hok-Lai Wong; Nianyong Zhu; Wing-Tak Wong; Vivian Wing-Wah Yam","Diarylethene-Containing Cyclometalated Platinum(II) Complexes: Tunable Photochromism via Metal Coordination and Rational Ligand Design","Journal of the American Chemical Society","2011","133","","12690","12705","10.1021/ja203946g","","","0.71073","MoKα","","0.0353","0.0325","","","0.0892","0.0918","","","","","","1.03","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106558","10.3089","0.0003","14.409","0.0004","10.5351","0.0003","90","","116.395","0.001","90","","1401.75","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","","Shengtao Ding; Ning Jiao","Direct Transformation of N,N-Dimethylformamide to -CN: Pd-Catalyzed Cyanation of Heteroarenes via C-H Functionalization","Journal of the American Chemical Society","2011","133","","12374","12377","10.1021/ja204063z","","","0.71073","MoKα","","0.0479","0.0409","","","0.1096","0.1174","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106559","17.2841","0.0017","20.945","0.002","18.8248","0.0018","90","","109.355","0.001","90","","6429.7","1.1","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Ni(PPh2NPhOMe2)2(MeCN)](BF4)2","","","- C64 H70 B2 F8 N6 Ni O4 P4 -","- C64 H70 B2 F8 N6 Ni O4 P4 -","- C256 H280 B8 F32 N24 Ni4 O16 P16 -","4","1","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0571","0.0448","","","0.1018","0.1121","","","","","","1.076","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106560","35.14","0.02","13.213","0.008","26.165","0.015","90","","96.356","0.008","90","","12074","12","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ni(PCy2NPh2)2(MeCN)](BF4)2","","","- C60 H86 B2 F8 N6 Ni P4 -","- C60 H86 B2 F8 N6 Ni P4 -","- C480 H688 B16 F64 N48 Ni8 P32 -","8","1","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0976","0.0602","","","0.1259","0.1471","","","","","","1.016","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106561","9.481","0.003","12.34","0.004","17.657","0.005","101.202","0.004","102.372","0.004","102.077","0.004","1910.3","1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","[Ni(PCy2NPh2)(ACN)2](BF4)2*ACN","[Ni(PCy2NPh2)2(ACN)2](BF4)2*ACN","","- C34 H49 B2 F8 N5 Ni P2 -","- C34 H49 B2 F8 N5 Ni P2 -","- C68 H98 B4 F16 N10 Ni2 P4 -","2","1","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0497","0.0372","","","0.0825","0.0904","","","","","","1.04","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106562","24.3203","0.0012","24.3203","0.0012","40.323","0.0019","90","","90","","90","","23850","2","293","2","293","2","","","","","","","","8","I 41/a :2","-I 4ad","88","[Ni(PCy2NPh2)(PPh2NPh2)(MeCN)](BF4)2","","","- C59.5 H74.75 B2 F8 N5 Ni O0.38 P4 -","- C59.58 H74.85 B2.005 F8.035 N5 Ni O0.38 P4 -","- C953.28 H1197.6 B32.08 F128.56 N80 Ni16 O6.08 P64 -","16","1","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0855","0.064","","","0.1763","0.1949","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106563","10.01","0.01","10.985","0.011","26.28","0.03","90","","90.87","0.012","90","","2889","5","253","2","253","2","","","","","","","","6","P 1 n 1","P -2yac","7","[Ni(PPh2NPhOMe2)2]","","","- C64 H72 N4 Ni O5 P4 -","- C64 H72 N4 Ni O5 P4 -","- C128 H144 N8 Ni2 O10 P8 -","2","1","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0326","0.0318","","","0.0846","0.0855","","","","","","1.061","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106564","24.0216","0.0011","17.6157","0.0008","14.6064","0.0007","90","","90","","90","","6180.8","0.5","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","[Ni(PPh2NBn2)2(OAc)]BF4","","","- C66 H77 B F4 N4 Ni O3 P4 -","- C66 H77 B F4 N4 Ni O3 P4 -","- C264 H308 B4 F16 N16 Ni4 O12 P16 -","4","1","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0647","0.0429","","","0.0889","0.0974","","","","","","1.022","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106565","13.0125","0.0004","13.2606","0.0005","14.7131","0.0005","112.618","0.002","112.805","0.002","91.713","0.002","2112.03","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TBAHCO2 HCO2H","","","- C18 H39 N O4 -","- C18 H39 N O4 -","- C72 H156 N4 O16 -","4","2","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0635","0.0508","","","0.1293","0.1363","","","","","","1.101","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106566","15.913","0.003","12.505","0.003","11.285","0.002","90","","90","","90","","2245.6","0.8","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H34 B F4 N O7 -","- C19 H34 B F4 N O7 -","- C76 H136 B4 F16 N4 O28 -","4","1","","Da-Wei Fu; Wen Zhang; Hong-Ling Cai; Yi Zhang; Jia-Zhen Ge; Ren-Gen Xiong; Songping D. Huang","Supramolecular Bola-Like Ferroelectric: 4-Methoxyanilinium Tetrafluoroborate-18-crown-6","Journal of the American Chemical Society","2011","133","","12780","12786","10.1021/ja204540g","","","0.71073","MoKα","","0.0343","0.0324","","","0.0788","0.0824","","","","","","1.041","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106567","15.989","0.003","11.336","0.002","12.676","0.003","90","","90","","90","","2297.5","0.8","243","2","243","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H34 B F4 N O7 -","- C19 H34 B F4 N O7 -","- C76 H136 B4 F16 N4 O28 -","4","0.5","","Da-Wei Fu; Wen Zhang; Hong-Ling Cai; Yi Zhang; Jia-Zhen Ge; Ren-Gen Xiong; Songping D. Huang","Supramolecular Bola-Like Ferroelectric: 4-Methoxyanilinium Tetrafluoroborate-18-crown-6","Journal of the American Chemical Society","2011","133","","12780","12786","10.1021/ja204540g","","","0.71073","MoKα","","0.054","0.0485","","","0.1224","0.1279","","","","","","1.112","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106568","17.0293","0.0003","17.0293","","17.0293","","90","","90","","90","","4938.45","0.09","","","100","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C96 I5.04 N48 Zn12 -","- C96 I5.04 N48 Zn12 -","- C96 I5.04 N48 Zn12 -","1","0.0208333","","Dorina F. Sava; Mark A. Rodriguez; Karena W. Chapman; Peter J. Chupas; Jeffery A. Greathouse; Paul S. Crozier; Tina M. Nenoff","Capture of Volatile Iodine, a Gaseous Fission Product, by Zeolitic Imidazolate Framework-8","Journal of the American Chemical Society","2011","133","","12398","12401","10.1021/ja204757x","powder diffraction","x-ray","0.413914","synchrotron","","","","","","","","0.12955","","2.14","","","","","","","has coordinates,has Fobs","178811","2020-10-21","18:00:00",""
"4106569","16.9331","0.001","16.9331","","16.9331","","90","","90","","90","","4855.2","0.3","","","100","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C48 I7.56 N24 Zn6 -","- C48 I7.56 N24 Zn6 -","- C96 I15.12 N48 Zn12 -","2","0.0416667","","Dorina F. Sava; Mark A. Rodriguez; Karena W. Chapman; Peter J. Chupas; Jeffery A. Greathouse; Paul S. Crozier; Tina M. Nenoff","Capture of Volatile Iodine, a Gaseous Fission Product, by Zeolitic Imidazolate Framework-8","Journal of the American Chemical Society","2011","133","","12398","12401","10.1021/ja204757x","powder diffraction","x-ray","0.413914","","","","","","","","","0.14012","","2.07","","","","","","","has coordinates,has Fobs","178811","2020-10-21","18:00:00",""
"4106570","30.927","0.011","30.927","0.011","86.9","0.06","90","","90","","120","","71982","6","180","2","180","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C178 H148 Ce4 N30 O31 -","- C177.91 H130.86 Ce4 N29.98 O30.935 -","- C2134.92 H1570.32 Ce48 N359.76 O371.22 -","12","0.333333","","Jian Wang; Cheng He; Pengyan Wu; Jing Wang; Chunying Duan","An Amide-Containing Metal-Organic Tetrahedron Responding to a Spin-Trapping Reaction in a Fluorescent Enhancement Manner for Biological Imaging of NO in Living Cells","Journal of the American Chemical Society","2011","133","","12402","12405","10.1021/ja2048489","","","0.71073","MoKα","","0.1082","0.0692","","","0.1882","0.2031","","","","","","0.993","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106571","36.2592","0.0014","6.5906","0.0003","11.6976","0.0005","90","","90","","90","","2795.4","0.2","143","1","143","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H26 Cl N -","- C15 H26 Cl N -","- C120 H208 Cl8 N8 -","8","2","","Jun Wang; Chunlong Ma; Giacomo Fiorin; Vincenzo Carnevale; Tuo Wang; Fanghao Hu; Robert A. Lamb; Lawrence H. Pinto; Mei Hong; Michael L. Klein; William F. DeGrado","Molecular Dynamics Simulation Directed Rational Design of Inhibitors Targeting Drug-Resistant Mutants of Influenza A Virus M2","Journal of the American Chemical Society","2011","133","","12834","12841","10.1021/ja204969m","","","0.71073","MoKα","","0.0279","0.0262","","","0.0656","0.0665","","","","","","1.067","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106572","12.215","0.006","18.138","0.009","17.386","0.008","90","","108.382","0.007","90","","3655","3","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C87 H36 N2 -","- C87 H36 N2 -","- C174 H72 N4 -","2","0.5","","Huaping Li; Chad Risko; Jung Hwa Seo; Casey Campbell; Guang Wu; Jean-Luc Brédas; Guillermo C. Bazan","Fullerene-Carbene Lewis Acid-Base Adducts","Journal of the American Chemical Society","2011","133","","12410","12413","10.1021/ja204974m","","","0.71073","MoKα","","0.4684","0.4","","","0.7571","0.7908","","","","","","3.469","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4106573","10.7392","0.0017","26.82","0.004","20.359","0.003","90","","99.172","0.002","90","","5788.9","1.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C98 H37 Cl3 N2 -","- C98 H37 Cl3 N2 -","- C392 H148 Cl12 N8 -","4","1","","Huaping Li; Chad Risko; Jung Hwa Seo; Casey Campbell; Guang Wu; Jean-Luc Brédas; Guillermo C. Bazan","Fullerene-Carbene Lewis Acid-Base Adducts","Journal of the American Chemical Society","2011","133","","12410","12413","10.1021/ja204974m","","","0.71073","MoKα","","0.3786","0.2446","","","0.5107","0.5592","","","","","","2.671","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106574","9.4077","0.0008","17.7033","0.0014","21.4739","0.0017","90","","94.762","0.002","90","","3564.1","0.5","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","L(tBu)Co(THF)","","","- C39 H61 Co N2 O -","- C39 H61 Co N2 O -","- C156 H244 Co4 N8 O4 -","4","1","","Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland","A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds","Journal of the American Chemical Society","2011","133","","12418","12421","10.1021/ja2052914","","","0.71073","MoKα","","0.1263","0.06","","","0.1081","0.1308","","","","","","1.004","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106575","12.0637","0.0014","14.4861","0.0016","18.32","0.002","90","","104.359","0.002","90","","3101.5","0.6","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","L(tBu)Co","","","- C35 H53 Co N2 -","- C35 H53 Co N2 -","- C140 H212 Co4 N8 -","4","1","","Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland","A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds","Journal of the American Chemical Society","2011","133","","12418","12421","10.1021/ja2052914","","","0.71073","MoKα","","0.0644","0.0425","","","0.0989","0.1076","","","","","","1.036","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106576","21.782","0.002","12.8292","0.0011","17.205","0.0015","90","","96.28","0.002","90","","4779","0.7","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","L(tBu)Co(PPh3)","","","- C55 H73 Co N2 O0.5 P -","- C55 H73 Co N2 O0.5 P -","- C220 H292 Co4 N8 O2 P4 -","4","1","","Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland","A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds","Journal of the American Chemical Society","2011","133","","12418","12421","10.1021/ja2052914","","","0.71073","MoKα","","0.1032","0.0622","","","0.1264","0.1462","","","","","","1.027","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106577","9.4586","0.0005","12.3354","0.0007","15.987","0.0009","97.994","0.001","97.008","0.001","111.209","0.001","1691.79","0.16","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","L(tBu)Co(CO)2","holtd31","","- C37 H53 Co N2 O2 -","- C37 H53 Co N2 O2 -","- C74 H106 Co2 N4 O4 -","2","1","","Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland","A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds","Journal of the American Chemical Society","2011","133","","12418","12421","10.1021/ja2052914","","","0.71073","MoKα","","0.0536","0.0394","","","0.0985","0.1061","","","","","","1.036","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106578","17.236","0.003","12.3908","0.0019","17.302","0.003","90","","90","","90","","3695.2","1.1","100","0.1","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","L(tBu)CoPh","","","- C41 H58 Co N2 -","- C41 H58 Co N2 -","- C164 H232 Co4 N8 -","4","1","","Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland","A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds","Journal of the American Chemical Society","2011","133","","12418","12421","10.1021/ja2052914","","","0.71073","MoKα","","0.0802","0.047","","","0.0977","0.1112","","","","","","1.021","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106579","24.218","0.002","12.1814","0.0012","26.222","0.003","90","","111.373","0.002","90","","7203.7","1.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[L(tBu)CoF]2","","","- C70 H106 Co2 F2 N4 -","- C70 H106 Co2 F2 N4 -","- C280 H424 Co8 F8 N16 -","4","0.5","","Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland","A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds","Journal of the American Chemical Society","2011","133","","12418","12421","10.1021/ja2052914","","","0.71073","MoKα","","0.0973","0.0541","","","0.1334","0.1494","","","","","","1.024","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106580","6.3098","0.0006","8.9274","0.0009","14.807","0.0015","84.292","0.002","87.09","0.002","78.703","0.002","813.45","0.14","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","frojb01","","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C38 H50 N2 O4 -","2","1","","Joshua L. Brooks; Patrick A. Caruana; Alison J. Frontier","Conjugate Addition-Initiated Nazarov Cyclization","Journal of the American Chemical Society","2011","133","","12454","12457","10.1021/ja205440x","","","0.71073","MoKα","","0.0684","0.0504","","","0.1363","0.1513","","","","","","1.066","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106581","16.29","0.003","8.385","0.0013","11.2023","0.0018","90","","92.568","0.003","90","","1528.6","0.4","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","frojb04","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Joshua L. Brooks; Patrick A. Caruana; Alison J. Frontier","Conjugate Addition-Initiated Nazarov Cyclization","Journal of the American Chemical Society","2011","133","","12454","12457","10.1021/ja205440x","","","0.71073","MoKα","","0.0644","0.0416","","","0.0965","0.108","","","","","","1.022","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106582","20.782","0.002","6.3342","0.0008","24.168","0.003","90","","93.654","0.002","90","","3174.9","0.6","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","frojb05","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C144 H184 N8 O16 -","8","1","","Joshua L. Brooks; Patrick A. Caruana; Alison J. Frontier","Conjugate Addition-Initiated Nazarov Cyclization","Journal of the American Chemical Society","2011","133","","12454","12457","10.1021/ja205440x","","","0.71073","MoKα","","0.0645","0.0455","","","0.1157","0.1267","","","","","","1.034","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106583","27.58","0.009","27.638","0.009","32.095","0.011","100.987","0.004","92.098","0.004","107.123","0.004","22839","13","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C260 H316 N78.89 O120.31 Pd12 Ru4 -","- C260 H316 N78.887 O120.297 Pd12 Ru4 -","- C520 H632 N157.774 O240.594 Pd24 Ru8 -","2","1","","Shinnosuke Horiuchi; Takashi Murase; Makoto Fujita","Noncovalent Trapping and Stabilization of Dinuclear Ruthenium Complexes within a Coordination Cage","Journal of the American Chemical Society","2011","133","","12445","12447","10.1021/ja205450a","","","0.71073","MoKα","","0.2206","0.1153","","","0.317","0.3926","","","","","","1.176","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106584","5.6584","0.0004","11.0386","0.0008","5.7476","0.0004","90","","90","","90","","359","0.04","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- Bi I O4 -","- Bi I O4 -","- Bi4 I4 O16 -","4","1","","Sau Doan Nguyen; Jeongho Yeon; Sang-Hwan Kim; P. Shiv Halasyamani","BiO(IO3): A New Polar Iodate that Exhibits an Aurivillius-Type (Bi2O2)2+ Layer and a Large SHG Response","Journal of the American Chemical Society","2011","133","","12422","12425","10.1021/ja205456b","","","0.71073","MoKα","","0.0193","0.019","","","0.0483","0.0484","","","","","","1.11","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106585","13.541","0.003","13.757","0.004","14.826","0.004","73.397","0.014","82.728","0.013","76.658","0.014","2569.8","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","michael037b","michael037b","","- C59 H68 B Mn N4 O3 S -","- C59 H68 B Mn N4 O3 S -","- C118 H136 B2 Mn2 N8 O6 S2 -","2","1","","Michael K. Coggins; Julie A. Kovacs","Structural and Spectroscopic Characterization of Metastable Thiolate-Ligated Manganese(III)-Alkylperoxo Species","Journal of the American Chemical Society","2011","133","","12470","12473","10.1021/ja205520u","","","0.71073","MoKα","","0.3733","0.0964","","","0.1155","0.1914","","","","","","0.944","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106586","15.098","0.005","20.289","0.007","20.645","0.007","69.84","0.02","83.47","0.02","78.29","0.02","5806","4","110","2","110","2","","","","","","","","7","P -1","-P 1","2","michael039","michael039","","- C66 H73 B Mn N5 O3 S -","- C66 H73 B Mn N5 O3 S -","- C264 H292 B4 Mn4 N20 O12 S4 -","4","2","","Michael K. Coggins; Julie A. Kovacs","Structural and Spectroscopic Characterization of Metastable Thiolate-Ligated Manganese(III)-Alkylperoxo Species","Journal of the American Chemical Society","2011","133","","12470","12473","10.1021/ja205520u","","","0.71073","MoKα","","0.4381","0.162","","","0.3001","0.4441","","","","","","0.976","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106587","13.5158","0.0003","17.0228","0.0003","26.8741","0.0005","90","","95.909","0.001","90","","6150.3","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 B12 Cl16 Fe2 Si2 -","- C42 H50 B12 Cl16 Fe2 Si2 -","- C168 H200 B48 Cl64 Fe8 Si8 -","4","1","","Kristine Müther; Roland Fröhlich; Christian Mück-Lichtenfeld; Stefan Grimme; Martin Oestreich","A Unique Transition Metal-Stabilized Silicon Cation","Journal of the American Chemical Society","2011","133","","12442","12444","10.1021/ja205538t","","","0.71073","MoKα","","0.1344","0.1067","","","0.2951","0.3307","","","","","","1.046","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106588","9.0205","0.0006","19.6632","0.0014","16.1365","0.0012","90","","92.825","0.004","90","","2858.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 B F10 P -","- C29 H36 B F10 P -","- C116 H144 B4 F40 P4 -","4","1","","Xiaoxi Zhao; Douglas W. Stephan","Olefin-Borane ""van der Waals Complexes"": Intermediates in Frustrated Lewis Pair Addition Reactions","Journal of the American Chemical Society","2011","133","","12448","12450","10.1021/ja205598k","","","0.71073","MoKα","","0.124","0.0589","","","0.1266","0.1521","","","","","","1.011","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106589","11.4645","0.0004","14.2814","0.0005","17.6884","0.0006","90","","105.199","0.002","90","","2794.8","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 B F10 P -","- C28 H34 B F10 P -","- C112 H136 B4 F40 P4 -","4","1","","Xiaoxi Zhao; Douglas W. Stephan","Olefin-Borane ""van der Waals Complexes"": Intermediates in Frustrated Lewis Pair Addition Reactions","Journal of the American Chemical Society","2011","133","","12448","12450","10.1021/ja205598k","","","0.71073","MoKα","","0.0996","0.0632","","","0.1632","0.1845","","","","","","1.047","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106590","13.0483","0.0016","15.951","0.002","17.5001","0.0019","90","","110.878","0.005","90","","3403.2","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 B F10 P -","- C36 H44 B F10 P -","- C144 H176 B4 F40 P4 -","4","1","","Xiaoxi Zhao; Douglas W. Stephan","Olefin-Borane ""van der Waals Complexes"": Intermediates in Frustrated Lewis Pair Addition Reactions","Journal of the American Chemical Society","2011","133","","12448","12450","10.1021/ja205598k","","","0.71073","MoKα","","0.1193","0.0509","","","0.095","0.1167","","","","","","0.993","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106591","6.0055","0.0002","27.8264","0.0008","8.3886","0.0002","90","","99.216","0.002","90","","1383.74","0.07","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 Cl2 N2 O4 -","- C29 H32 Cl2 N2 O4 -","- C58 H64 Cl4 N4 O8 -","2","1","","Xiaodan Zhao; Daniel A. DiRocco; Tomislav Rovis","N-Heterocyclic Carbene and Brønsted Acid Cooperative Catalysis: Asymmetric Synthesis of trans-γ-Lactams","Journal of the American Chemical Society","2011","133","","12466","12469","10.1021/ja205714g","","","0.71073","MoKα","","0.0774","0.0589","","","0.1588","0.1787","","","","","","1.057","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106592","33.068","0.003","17.4569","0.0017","11.9688","0.0011","90","","93.376","0.001","90","","6897.2","1.1","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4-Bis{bis[bis(trimethylsilyl)methyl]isopropylsilyl} -1,3-bis(3,5-dimethylphenyl)-1,3-diaza-2,4-disilacyclobutane-2,4-diyl","","- C54 H116 N2 O Si12 -","- C54 H116 N2 O Si12 -","- C216 H464 N8 O4 Si48 -","4","0.5","","Katsuhiko Takeuchi; Masaaki Ichinohe; Akira Sekiguchi","Access to a Stable Si2N2 Four-Membered Ring with Non-Kekulé Singlet Biradical Character from a Disilyne","Journal of the American Chemical Society","2011","133","","12478","12481","10.1021/ja2059846","","","0.71073","MoKα","","0.0444","0.0394","","","0.1139","0.1193","","","","","","1.032","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106593","9.949","0.0005","13.7022","0.0007","14.5004","0.0007","101.017","0.001","106.539","0.001","109.213","0.001","1698.56","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","trans-2,4-Bis{bis[bis(trimethylsilyl)methyl]isopropylsilyl}-2,4-dichloro- 1,3-bis(3,5-dimethylphenyl)-1,3-diaza-2,4-disilacyclobutane","","- C50 H108 Cl2 N2 Si12 -","- C50 H108 Cl2 N2 Si12 -","- C50 H108 Cl2 N2 Si12 -","1","0.5","","Katsuhiko Takeuchi; Masaaki Ichinohe; Akira Sekiguchi","Access to a Stable Si2N2 Four-Membered Ring with Non-Kekulé Singlet Biradical Character from a Disilyne","Journal of the American Chemical Society","2011","133","","12478","12481","10.1021/ja2059846","","","0.71073","MoKα","","0.0402","0.0348","","","0.1006","0.1055","","","","","","1.031","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106594","7.9149","0.0002","13.8805","0.0003","18.1339","0.0004","89.619","0.001","82.083","0.001","88.743","0.001","1972.76","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H35 F12 N7 O5 -","- C41 H35 F12 N7 O5 -","- C82 H70 F24 N14 O10 -","2","1","","Jason R. Cox; Peter Müller; Timothy M. Swager","Interrupted Energy Transfer: Highly Selective Detection of Cyclic Ketones in the Vapor Phase","Journal of the American Chemical Society","2011","133","","12910","12913","10.1021/ja202277h","","","1.54178","CuKα","","0.0441","0.0397","","","0.1035","0.1078","","","","","","1.027","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106595","17.736","0.005","16.476","0.004","23.481","0.006","90","","112.082","0.004","90","","6358","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H67 B F24 N Ni P2 -","- C60 H67 B F24 N Ni P2 -","- C240 H268 B4 F96 N4 Ni4 P8 -","4","1","","Vlad M. Iluc; Alexander J. M. Miller; John S. Anderson; Marisa J. Monreal; Mark P. Mehn; Gregory L. Hillhouse","Synthesis and Characterization of Three-Coordinate Ni(III)-Imide Complexes","Journal of the American Chemical Society","2011","133","","13055","13063","10.1021/ja2024993","","","0.71073","MoKα","","0.0837","0.0717","","","0.1453","0.15","","","","","","1.236","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106596","14.2589","0.0012","13.0889","0.0011","39.706","0.003","90","","90.907","0.002","90","","7409.5","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74 H77 B F24 N Ni P2 -","- C74 H77 B F24 N Ni P2 -","- C296 H308 B4 F96 N4 Ni4 P8 -","4","1","","Vlad M. Iluc; Alexander J. M. Miller; John S. Anderson; Marisa J. Monreal; Mark P. Mehn; Gregory L. Hillhouse","Synthesis and Characterization of Three-Coordinate Ni(III)-Imide Complexes","Journal of the American Chemical Society","2011","133","","13055","13063","10.1021/ja2024993","","","0.71073","MoKα","","0.1241","0.0714","","","0.1251","0.1433","","","","","","0.972","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106597","16.616","0.0019","19.441","0.002","20.68","0.002","95.168","0.002","100.073","0.002","103.594","0.002","6332.7","1.2","373","2","373","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H68 B F24 N Ni P2 -","- C60 H68 B F24 N Ni P2 -","- C240 H272 B4 F96 N4 Ni4 P8 -","4","2","","Vlad M. Iluc; Alexander J. M. Miller; John S. Anderson; Marisa J. Monreal; Mark P. Mehn; Gregory L. Hillhouse","Synthesis and Characterization of Three-Coordinate Ni(III)-Imide Complexes","Journal of the American Chemical Society","2011","133","","13055","13063","10.1021/ja2024993","","","0.71073","MoKα","","0.1379","0.0981","","","0.2048","0.2238","","","","","","1.119","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106598","17.112","0.003","23.856","0.005","27.445","0.006","90","","90","","90","","11204","4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Gross-33 (Jenny)","","","- C47.5 H15 Al Cl F15 I4 N6 -","- C49.5 H20 Al F15 I4 N6 -","- C396 H160 Al8 F120 I32 N48 -","8","1","","Jenya Vestfrid; Mark Botoshansky; Joshua H. Palmer; Alec C. Durrell; Harry B. Gray; Zeev Gross","Iodinated Aluminum(III) Corroles with Long-Lived Triplet Excited States","Journal of the American Chemical Society","2011","133","","12899","12901","10.1021/ja202692b","","","0.71073","MoKα","","0.1166","0.0612","","","0.1749","0.2003","","","","","","0.942","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106599","15.553","0.0008","10.2067","0.0006","20.833","0.002","90","","103.417","0.007","90","","3216.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34.5 H43 N8 O2 -","- C34.5 H42 N8 O2 -","- C138 H168 N32 O8 -","4","1","","Frank W. Lewis; Laurence M. Harwood; Michael J. Hudson; Michael G. B. Drew; Jean F. Desreux; Geoffrey Vidick; Nouri Bouslimani; Giuseppe Modolo; Andreas Wilden; Michal Sypula; Trong-Hung Vu; Jean-Pierre Simonin","Highly Efficient Separation of Actinides from Lanthanides by a Phenanthroline-Derived Bis-triazine Ligand","Journal of the American Chemical Society","2011","133","","13093","13102","10.1021/ja203378m","","","0.71073","MoKα","","0.1276","0.0568","","","0.1203","0.1339","","","","","","0.87","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106600","13.5768","0.0008","15.342","0.001","20.5094","0.0013","106.114","0.006","100.566","0.005","98.556","0.005","3943.4","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H81 Eu2 N23 O19 -","- C70 H79 Eu2 N23 O19 -","- C140 H158 Eu4 N46 O38 -","2","1","","Frank W. Lewis; Laurence M. Harwood; Michael J. Hudson; Michael G. B. Drew; Jean F. Desreux; Geoffrey Vidick; Nouri Bouslimani; Giuseppe Modolo; Andreas Wilden; Michal Sypula; Trong-Hung Vu; Jean-Pierre Simonin","Highly Efficient Separation of Actinides from Lanthanides by a Phenanthroline-Derived Bis-triazine Ligand","Journal of the American Chemical Society","2011","133","","13093","13102","10.1021/ja203378m","","","0.71073","MoKα","","0.1399","0.0595","","","0.1088","0.1225","","","","","","0.83","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106601","26.6125","0.0009","12.1901","0.0004","21.7234","0.0007","90","","105.191","0.002","90","","6801","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ru2(D(3,5-Cl2)PhF)3NH(C13H6N2Cl4)(Hexane)","","","- C58 H42 Cl16 N9 Ru2 -","- C58 H42 Cl16 N9 Ru2 -","- C232 H168 Cl64 N36 Ru8 -","4","0.5","","Amanda Kae Musch Long; George H. Timmer; József S. Pap; Jamie Lynn Snyder; Renyuan Pony Yu; John F. Berry","Aryl C-H Amination by Diruthenium Nitrides in the Solid State and in Solution at Room Temperature: Experimental and Computational Study of the Reaction Mechanism","Journal of the American Chemical Society","2011","133","","13138","13150","10.1021/ja203993p","","","0.71073","MoKα","","0.0515","0.0455","","","0.1277","0.1331","","","","","","1.079","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106602","17.0829","0.0004","40.0431","0.0007","13.3183","0.0003","90","","90","","90","","9110.4","0.3","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H12 N6 O8 Ru Zn -","- C26 H12 N6 O8 Ru Zn -","- C208 H96 N48 O64 Ru8 Zn8 -","8","1","","Caleb A. Kent; Demin Liu; Liqing Ma; John M. Papanikolas; Thomas J. Meyer; Wenbin Lin","Light Harvesting in Microscale Metal-Organic Frameworks by Energy Migration and Interfacial Electron Transfer Quenching","Journal of the American Chemical Society","2011","133","","12940","12943","10.1021/ja204214t","","","1.54178","CuKα","","0.0838","0.0509","","","0.1232","0.1395","","","","","","0.722","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106603","16.105","0.0012","4.7876","0.0004","9.2686","0.0007","90","","90.024","0.004","90","","714.65","0.1","123","1","123","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C6 H8 O4 Zn -","- C6 H8 O4 Zn -","- C24 H32 O16 Zn4 -","4","1","","Stephan Klaus; Maximilian W. Lehenmeier; Eberhardt Herdtweck; Peter Deglmann; Anna K. Ott; Bernhard Rieger","Mechanistic Insights into Heterogeneous Zinc Dicarboxylates and Theoretical Considerations for CO2-Epoxide Copolymerization","Journal of the American Chemical Society","2011","133","","13151","13161","10.1021/ja204481w","","","0.71073","MoKα","","0.0171","0.017","","","0.0436","0.0437","","","","","","1.204","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106604","13.8911","0.00069","15.95423","0.00097","6.60176","0.00022","90","","91.6993","0.0041","90","","1462.45","0.12","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MIL53(Al).BDTA","","","- C14 H9 Al N O5 S2 -","- C14 H9 Al N O5 S2 -","- C56 H36 Al4 N4 O20 S8 -","4","1","","Storm V. Potts; Leonard J. Barbour; Delia A. Haynes; Jeremy M. Rawson; Gareth O. Lloyd","Inclusion of Thiazyl Radicals in Porous Crystalline Materials","Journal of the American Chemical Society","2011","133","","12948","12951","10.1021/ja204548d","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.05234","4.591","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106605","14.9544","0.002","15.0886","0.0018","6.64392","0.00039","90","","90.8914","0.0059","90","","1499","0.3","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MIL53(Al).MBDTA","","","- C15 H11 Al N O5 S2 -","- C15 H11 Al N O5 S2 -","- C60 H44 Al4 N4 O20 S8 -","4","1","","Storm V. Potts; Leonard J. Barbour; Delia A. Haynes; Jeremy M. Rawson; Gareth O. Lloyd","Inclusion of Thiazyl Radicals in Porous Crystalline Materials","Journal of the American Chemical Society","2011","133","","12948","12951","10.1021/ja204548d","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.1007","5.164","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106606","12.8319","0.0016","10.1506","0.0013","23.295","0.003","90","","101.167","0.002","90","","2976.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 Cl3 N4 -","- C34 H27 Cl2.991 N4 -","- C136 H108 Cl11.964 N16 -","4","1","","Rajasekhar Reddy Naredla; Chong Zheng; Sten O. Nilsson Lill; Douglas A. Klumpp","Charge Delocalization and Enhanced Acidity in Tricationic Superelectrophiles","Journal of the American Chemical Society","2011","133","","13169","13175","10.1021/ja2046364","","","0.71073","MoKα","","0.1087","0.0994","","","0.1527","0.1562","","","","","","1.406","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106607","9.9836","0.001","23.795","0.002","17.0104","0.0016","90","","92.051","0.002","90","","4038.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N4 O0.5 -","- C27 H20 N4 O0.5 -","- C216 H160 N32 O4 -","8","2","","Rajasekhar Reddy Naredla; Chong Zheng; Sten O. Nilsson Lill; Douglas A. Klumpp","Charge Delocalization and Enhanced Acidity in Tricationic Superelectrophiles","Journal of the American Chemical Society","2011","133","","13169","13175","10.1021/ja2046364","","","0.71073","MoKα","","0.09","0.077","","","0.2311","0.2482","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106608","14.9326","0.0002","16.492","0.0002","22.6389","0.0003","90","","99.2182","0.0005","90","","5503.24","0.12","250","2","250","2","","","","","The sample was placed directly into the cool stream at 250 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 P Rh -","- C55 H49 B F24 P Rh -","- C220 H196 B4 F96 P4 Rh4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0849","0.0519","","","0.1275","0.1452","","","","","","1.024","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106609","14.8781","0.0001","16.4397","0.0002","22.5117","0.0002","90","","99.3793","0.0005","90","","5432.56","0.09","200","2","200","2","","","","","The sample was placed directly into the cool stream at 250 K. Data was collected at 250 K (294.1\% @ 120 s/\%). The sample was cooled at 50 K/h to 200 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 P Rh -","- C55 H49 B F24 P Rh -","- C220 H196 B4 F96 P4 Rh4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0676","0.0453","","","0.1093","0.1216","","","","","","1.018","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106610","14.8333","0.0001","16.3871","0.0001","22.3871","0.0002","90","","99.5315","0.0004","90","","5366.61","0.07","150","2","150","2","","","","","The sample was placed directly into the cool stream at 250 K. Data was collected at 250 K (294.1\% @ 120 s/\%). The sample was cooled at 50 K/h to 200 K. Data was collected at 200 K (294.1\% @ 120 s/\%). The sample was cooled at 50 K/h to 150 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 P Rh -","- C55 H49 B F24 P Rh -","- C220 H196 B4 F96 P4 Rh4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0509","0.0372","","","0.0909","0.0984","","","","","","1.022","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106611","14.797","0.0001","16.3421","0.0001","22.2778","0.0002","90","","99.6294","0.0004","90","","5311.18","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 P Rh -","- C55 H49 B F24 P Rh -","- C220 H196 B4 F96 P4 Rh4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0486","0.0339","","","0.0779","0.0843","","","","","","1.015","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106612","13.2923","0.0001","27.7709","0.0002","17.6139","0.0001","90","","94.9811","0.0003","90","","6477.42","0.08","150","2","150","2","","","","","The sample was placed directly into the cool stream at 150 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H59 B F26 Ir P -","- C67 H59 B F26 Ir P -","- C268 H236 B4 F104 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.035","0.0284","","","0.0673","0.0704","","","","","","1.037","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106613","14.7531","0.0001","16.4346","0.0001","22.5162","0.0002","90","","99.7112","0.0003","90","","5381.08","0.07","150","2","150","2","","","","","The sample was placed directly into the cool stream at 150 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0411","0.0287","","","0.0662","0.0715","","","","","","1.023","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106614","14.7572","0.0002","16.3685","0.0002","22.3728","0.0002","90","","99.9156","0.0005","90","","5323.5","0.11","100","2","100","2","","","","","The sample was placed directly into the cool stream at 150 K. Data was collected at 150 K (657.2\% @ 120 s/\%). The sample was then cooled at 100 K/h to 100 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0475","0.0317","","","0.0613","0.0666","","","","","","1.043","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106615","14.8328","0.0002","16.5004","0.0002","22.8358","0.0004","90","","99.3914","0.0005","90","","5514.09","0.14","250","2","250","2","","","","","The sample was placed directly into the cool stream at 250 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0961","0.0555","","","0.1475","0.1748","","","","","","1.025","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106616","14.7835","0.0001","16.4746","0.0002","22.6851","0.0003","90","","99.5354","0.0004","90","","5448.67","0.1","200","2","200","2","","","","","The sample was placed directly into the cool stream at 250 K. Data was collected at 250 K (345.2\% @ 220 s/\%). The sample was cooled at 50 K/h to 200 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0677","0.0432","","","0.1005","0.1125","","","","","","1.03","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106617","14.7593","0.0001","16.42","0.0002","22.522","0.0003","90","","99.7008","0.0004","90","","5380.11","0.1","150","2","150","2","","","","","The sample was placed directly into the cool stream at 250 K. Data was collected at 250 K (345.2\% @ 220 s/\%). The sample was cooled at 50 K/h to 200 K. Data was collected at 200 K (345.2\% @ 220 s/\%). The sample was cooled at 50 K/h to 150 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0554","0.038","","","0.0865","0.095","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","178812","2020-10-21","18:00:00",""
"4106618","14.7448","0.0001","16.38","0.0002","22.3674","0.0003","90","","99.8502","0.0005","90","","5322.53","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0456","0.0331","","","0.0752","0.081","","","","","","1.018","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106619","14.8313","0.0003","16.51","0.0003","22.8482","0.0005","90","","99.4395","0.0007","90","","5518.96","0.19","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0972","0.0546","","","0.1275","0.1521","","","","","","1.02","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106620","14.8328","0.0002","16.5004","0.0002","22.8358","0.0004","90","","99.3914","0.0005","90","","5514.09","0.14","250","2","250","2","","","","","The sample was placed directly into the cool stream at 250 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0965","0.0558","","","0.1485","0.176","","","","","","1.025","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106621","14.7835","0.0001","16.4746","0.0002","22.6851","0.0003","90","","99.5354","0.0004","90","","5448.67","0.1","200","2","200","2","","","","","The sample was placed directly into the cool stream at 250 K. Data was collected at 250 K (345.2\% @ 220 s/\%). The sample was cooled at 50 K/h to 200 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0678","0.0433","","","0.1006","0.1126","","","","","","1.033","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106622","14.7593","0.0001","16.42","0.0002","22.522","0.0003","90","","99.7008","0.0004","90","","5380.11","0.1","150","2","150","2","","","","","The sample was placed directly into the cool stream at 250 K. Data was collected at 250 K (345.2\% @ 220 s/\%). The sample was cooled at 50 K/h to 200 K. Data was collected at 200 K (345.2\% @ 220 s/\%). The sample was cooled at 50 K/h to 150 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0554","0.038","","","0.0864","0.0949","","","","","","1.012","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106623","14.7448","0.0001","16.38","0.0002","22.3674","0.0003","90","","99.8502","0.0005","90","","5322.53","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0455","0.0331","","","0.0749","0.0807","","","","","","1.016","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106624","11.4386","0.0007","12.7615","0.0008","16.3146","0.001","90","","100.44","0.001","90","","2342.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H40 P Si4 -","- C16 H40 P Si4 -","- C64 H160 P4 Si16 -","4","1","","Shintaro Ishida; Fumiya Hirakawa; Takeaki Iwamoto","A Stable Dialkylphosphinyl Radical","Journal of the American Chemical Society","2011","133","","12968","12971","10.1021/ja205001m","","","0.71073","MoKα","","0.0271","0.0246","","","0.0657","0.0684","","","","","","1.02","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106625","6.832","0.0006","21.5855","0.0018","16.0108","0.0014","90","","93.395","0.001","90","","2357","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H40 Cl P Si4 -","- C16 H40 Cl P Si4 -","- C64 H160 Cl4 P4 Si16 -","4","1","","Shintaro Ishida; Fumiya Hirakawa; Takeaki Iwamoto","A Stable Dialkylphosphinyl Radical","Journal of the American Chemical Society","2011","133","","12968","12971","10.1021/ja205001m","","","0.71073","MoKα","","0.0405","0.0386","","","0.0969","0.0981","","","","","","1.157","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106626","11.3757","0.0019","12.764","0.002","16.481","0.003","90","","100.954","0.002","90","","2349.4","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H41 P Si4 -","- C16 H41 P Si4 -","- C64 H164 P4 Si16 -","4","1","","Shintaro Ishida; Fumiya Hirakawa; Takeaki Iwamoto","A Stable Dialkylphosphinyl Radical","Journal of the American Chemical Society","2011","133","","12968","12971","10.1021/ja205001m","","","0.71073","MoKα","","0.0327","0.0291","","","0.0765","0.0805","","","","","","1.043","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106627","8.2364","0.0005","9.6818","0.0006","26.1298","0.0016","90","","90","","90","","2083.7","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","YMW-V-48B","toste43","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","1","","Yi-Ming Wang; Christian N. Kuzniewski; Vivek Rauniyar; Christina Hoong; F. Dean Toste","Chiral (Acyclic Diaminocarbene)Gold(I)-Catalyzed Dynamic Kinetic Asymmetric Transformation of Propargyl Esters","Journal of the American Chemical Society","2011","133","","12972","12975","10.1021/ja205068j","","","1.54178","CuKα","","0.0322","0.0313","","","0.0822","0.0834","","","","","","1.065","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4106628","11.3458","0.0003","25.4178","0.0008","20.5328","0.0006","90","","101.16","0.001","90","","5809.4","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","YMW-IV-179","toste39","","- C58 H54 Au2 Cl2 F6 N6 O3 -","- C58 H54 Au2 Cl2 F6 N6 O3 -","- C232 H216 Au8 Cl8 F24 N24 O12 -","4","2","","Yi-Ming Wang; Christian N. Kuzniewski; Vivek Rauniyar; Christina Hoong; F. Dean Toste","Chiral (Acyclic Diaminocarbene)Gold(I)-Catalyzed Dynamic Kinetic Asymmetric Transformation of Propargyl Esters","Journal of the American Chemical Society","2011","133","","12972","12975","10.1021/ja205068j","","","0.71073","MoKα","","0.0319","0.0289","","","0.0777","0.0791","","","","","","1.081","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4106629","8.5513","0.0006","22.4101","0.0016","32.205","0.003","82.629","0.003","85.393","0.003","79.455","0.003","6007","0.8","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H43 B O2 P2 Pd Si -","- C43 H43 B O2 P2 Pd Si -","- C258 H258 B6 O12 P12 Pd6 Si6 -","6","3","","Jun Takaya; Naohiro Kirai; Nobuharu Iwasawa","Efficient Synthesis of Diborylalkenes from Alkenes and Diboron by a New PSiP-Pincer Palladium-Catalyzed Dehydrogenative Borylation","Journal of the American Chemical Society","2011","133","","12980","12983","10.1021/ja205186k","","","0.71075","MoKα","","0.0784","0.0617","","","0.1542","0.1726","","","","","","1.074","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106630","16.8225","0.0014","18.5882","0.0015","24.389","0.002","90","","90","","90","","7626.4","1.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C82 H132 O2 Th2 -","- C82 H132 O2 Th2 -","- C328 H528 O8 Th8 -","4","1","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0704","0.0469","","","0.0834","0.0931","","","","","","0.958","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106631","17.0548","0.0014","17.0548","0.0014","12.2849","0.0012","90","","90","","120","","3094.5","0.5","150","2","150","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C47 H68 O2 Th -","- C47 H68 O2 Th -","- C141 H204 O6 Th3 -","3","0.5","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0347","0.0323","","","0.0522","0.0529","","","","","","0.978","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106632","10.8222","0.0014","12.0686","0.0014","16.1307","0.0019","96.32","0.002","102.403","0.002","101.971","0.002","1986.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H68 N2 O Th -","- C41 H68 N2 O Th -","- C82 H136 N4 O2 Th2 -","2","1","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0525","0.0426","","","0.0844","0.089","","","","","","1.002","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106633","11.6142","0.0008","16.9281","0.0012","20.2968","0.0013","90","","98.69","0.001","90","","3944.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H67 Cl O Si Th -","- C37 H67 Cl O Si Th -","- C148 H268 Cl4 O4 Si4 Th4 -","4","1","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0492","0.0325","","","0.0591","0.0639","","","","","","0.974","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106634","11.5414","0.001","17.3182","0.0014","20.2061","0.0017","90","","98.488","0.001","90","","3994.5","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H67 N O Si Th -","- C38 H67 N O Si Th -","- C152 H268 N4 O4 Si4 Th4 -","4","1","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0548","0.037","","","0.0738","0.0802","","","","","","0.995","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106635","10.281","0.005","10.986","0.005","21.757","0.013","102.819","0.012","91.689","0.013","115.728","0.008","2136.4","1.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H68 N S2 Th -","- C45 H68 N S2 Th -","- C90 H136 N2 S4 Th2 -","2","1","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0672","0.0508","","","0.0945","0.1016","","","","","","0.982","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106636","13.6037","0.0009","15.3141","0.001","24.7238","0.0013","90","","120.025","0.003","90","","4459.5","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 N2 S Th -","- C48 H70 N2 S Th -","- C192 H280 N8 S4 Th4 -","4","1","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0534","0.0314","","","0.0573","0.0632","","","","","","0.977","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106637","10.731","0.002","11.454","0.002","27.92","0.005","93.907","0.004","90.072","0.004","107.71","0.004","3260.6","1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H116 S2 Th2 -","- C68 H116 S2 Th2 -","- C136 H232 S4 Th4 -","2","1","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0782","0.0501","","","0.0916","0.1037","","","","","","0.977","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106638","35.843","0.002","35.843","0.002","18.753","0.002","90","","90","","120","","20865","3","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C246 H384 S18 Th6 -","- C246 H384 S18 Th6 -","- C738 H1152 S54 Th18 -","3","0.166667","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0872","0.0451","","","0.0859","0.0921","","","","","","0.765","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106639","12.5002","0.0013","38.967","0.004","20.8519","0.0017","90","","110.937","0.005","90","","9486.2","1.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H74 Cl N S2 Si Th -","- C45 H74 Cl N S2 Si Th -","- C360 H592 Cl8 N8 S16 Si8 Th8 -","8","2","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.1057","0.0718","","","0.1287","0.139","","","","","","1.142","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106640","19.9667","0.0018","13.528","0.0012","19.2161","0.0017","90","","118.476","0.002","90","","4562.5","0.7","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H22 O16 Re4 Sb2 -","- C40 H22 O16 Re4 Sb2 -","- C160 H88 O64 Re16 Sb8 -","4","0.5","","Richard D. Adams; William C. Pearl; Yuen Onn Wong; Qiang Zhang; Michael B. Hall; Justin R. Walensky","Tetrarhena-heterocycle from the Palladium-Catalyzed Dimerization of Re2(CO)8(μ-SbPh2)(μ-H) Exhibits an Unusual Host-Guest Behavior","Journal of the American Chemical Society","2011","133","","12994","12997","10.1021/ja205515u","","","0.71073","MoKα","","0.034","0.0247","","","0.0465","0.0493","","","","","","1.044","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106641","10.8973","0.0015","11.0822","0.0015","22.043","0.003","94.339","0.002","91.57","0.003","114.493","0.002","2410.5","0.6","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H22 O16 P0 Pd2 Re4 Sb2 -","- C40 H22 O16 Pd2 Re4 Sb2 -","- C80 H44 O32 Pd4 Re8 Sb4 -","2","1","","Richard D. Adams; William C. Pearl; Yuen Onn Wong; Qiang Zhang; Michael B. Hall; Justin R. Walensky","Tetrarhena-heterocycle from the Palladium-Catalyzed Dimerization of Re2(CO)8(μ-SbPh2)(μ-H) Exhibits an Unusual Host-Guest Behavior","Journal of the American Chemical Society","2011","133","","12994","12997","10.1021/ja205515u","","","0.71073","MoKα","","0.1389","0.0667","","","0.1372","0.1664","","","","","","0.965","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106642","35.2421","0.0015","52.7954","0.0019","10.2274","0.0004","90","","90","","90","","19029.3","1.3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C43 H25 O16 Pd0.5 Re4 Sb2 -","- C43 H25 O16 Pd0.511 Re4 Sb2 -","- C688 H400 O256 Pd8.176 Re64 Sb32 -","16","1","","Richard D. Adams; William C. Pearl; Yuen Onn Wong; Qiang Zhang; Michael B. Hall; Justin R. Walensky","Tetrarhena-heterocycle from the Palladium-Catalyzed Dimerization of Re2(CO)8(μ-SbPh2)(μ-H) Exhibits an Unusual Host-Guest Behavior","Journal of the American Chemical Society","2011","133","","12994","12997","10.1021/ja205515u","","","0.71073","MoKα","","0.0446","0.0356","","","0.066","0.0692","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106643","6.1943","0.0007","11.4203","0.0013","15.7536","0.0018","90","","90","","90","","1114.4","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H19 B K N Si -","- C7 H19 B K N Si -","- C28 H76 B4 K4 N4 Si4 -","4","1","","Wei Luo; Lev N. Zakharov; Shih-Yuan Liu","1,2-BN Cyclohexane: Synthesis, Structure, Dynamics, and Reactivity","Journal of the American Chemical Society","2011","133","","13006","13009","10.1021/ja206497x","","","0.71073","MoKα","","0.0272","0.0253","","","0.0624","0.0636","","","","","","1.064","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106644","15.3393","0.0011","9.7577","0.0007","17.4261","0.0013","90","","98.999","0.001","90","","2576.2","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H43 B K N O6 Si -","- C19 H43 B K N O6 Si -","- C76 H172 B4 K4 N4 O24 Si4 -","4","1","","Wei Luo; Lev N. Zakharov; Shih-Yuan Liu","1,2-BN Cyclohexane: Synthesis, Structure, Dynamics, and Reactivity","Journal of the American Chemical Society","2011","133","","13006","13009","10.1021/ja206497x","","","0.71073","MoKα","","0.0522","0.0408","","","0.098","0.1061","","","","","","1.055","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106645","5.3364","0.0004","5.5873","0.0005","9.8555","0.0008","81.328","0.001","85.847","0.001","74.013","0.001","279.11","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H12 B N -","- C4 H12 B N -","- C8 H24 B2 N2 -","2","1","","Wei Luo; Lev N. Zakharov; Shih-Yuan Liu","1,2-BN Cyclohexane: Synthesis, Structure, Dynamics, and Reactivity","Journal of the American Chemical Society","2011","133","","13006","13009","10.1021/ja206497x","","","0.71073","MoKα","","0.0419","0.0401","","","0.1141","0.1168","","","","","","1.085","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106646","10.2172","0.0015","17.694","0.003","15.24","0.002","90","","94.914","0.003","90","","2745","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 B3 N3 -","- C12 H24 B3 N3 -","- C96 H192 B24 N24 -","8","1","","Wei Luo; Lev N. Zakharov; Shih-Yuan Liu","1,2-BN Cyclohexane: Synthesis, Structure, Dynamics, and Reactivity","Journal of the American Chemical Society","2011","133","","13006","13009","10.1021/ja206497x","","","0.71073","MoKα","","0.0956","0.0773","","","0.2144","0.2329","","","","","","1.056","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106647","8.961","0.003","9.259","0.003","12.207","0.004","77.131","0.004","81.294","0.004","73.893","0.004","944.3","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N3 O5 -","- C20 H25 N3 O5 -","- C40 H50 N6 O10 -","2","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","0.71073","MoKα","","0.0456","0.0391","","","0.1014","0.1064","","","","","","1.045","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106648","10.0906","0.0017","10.702","0.002","19.365","0.003","94.622","0.006","104.715","0.006","95.703","0.007","2000.4","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N3 O7 -","- C20 H23 N3 O7 -","- C80 H92 N12 O28 -","4","2","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","0.71073","MoKα","","0.0688","0.0585","","","0.125","0.1306","","","","","","1.119","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106649","7.5943","0.0007","14.3844","0.0014","14.7836","0.0014","77.337","0.001","84.962","0.001","81.67","0.002","1556.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N3 O5 -","- C16 H17 N3 O5 -","- C64 H68 N12 O20 -","4","2","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","0.71073","MoKα","","0.0482","0.0402","","","0.106","0.1112","","","","","","1.046","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106650","10.019","0.002","11.019","0.002","12.228","0.002","82.353","0.017","80.257","0.015","67.002","0.011","1221.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N3 O7 -","- C20 H23 N3 O7 -","- C40 H46 N6 O14 -","2","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","0.71073","MoKα","","0.0845","0.0752","","","0.2072","0.2138","","","","","","1.119","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106651","11.759","0.002","23.045","0.004","7.7057","0.0014","90","","107.406","0.002","90","","1992.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O7 -","- C20 H23 N3 O7 -","- C80 H92 N12 O28 -","4","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","0.71073","MoKα","","0.0619","0.044","","","0.1116","0.1219","","","","","","1.055","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106652","8.3908","0.0014","9.8594","0.0015","10.8783","0.0017","65.913","0.008","75.686","0.011","75.628","0.011","785","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N3 O5 -","- C16 H17 N3 O5 -","- C32 H34 N6 O10 -","2","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","0.71073","MoKα","","0.0631","0.0559","","","0.1227","0.1274","","","","","","1.124","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106653","22.975","0.004","12.4694","0.0016","7.5472","0.0011","90","","90","","90","","2162.2","0.6","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H25 Br N2 O5 -","- C22 H25 Br N2 O5 -","- C88 H100 Br4 N8 O20 -","4","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","1.54186","CuKα","","0.0374","0.034","","","0.0798","0.0826","","","","","","1.081","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106654","23.002","0.002","7.7747","0.0008","25.097","0.003","90","","90","","90","","4488.2","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H29 N3 O6 -","- C24 H29 N3 O6 -","- C192 H232 N24 O48 -","8","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","1.54186","CuKα","","0.0499","0.0433","","","0.1032","0.1067","","","","","","1.091","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106655","6.9086","0.0018","12.855","0.003","24.098","0.007","90","","92.903","0.003","90","","2137.4","1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N3 O7 -","- C22 H25 N3 O7 -","- C88 H100 N12 O28 -","4","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","0.71073","MoKα","","0.0737","0.0689","","","0.1503","0.1533","","","","","","1.152","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106656","18.589","0.011","11.132","0.007","9.737","0.006","90","","104.105","0.008","90","","1954","2","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N2 O -","- C22 H28 N2 O -","- C88 H112 N8 O4 -","4","1","","Ming-Tian Zhang; Tania Irebo; Olof Johansson; Leif Hammarström","Proton-Coupled Electron Transfer from Tyrosine: A Strong Rate Dependence on Intramolecular Proton Transfer Distance","Journal of the American Chemical Society","2011","133","","13224","13227","10.1021/ja203483j","","","0.71073","MoKα","","0.2086","0.1015","","","0.2771","0.3199","","","","","","1.031","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106657","10.8463","0.0016","12.4881","0.0019","20.328","0.004","76.245","0.007","80.117","0.008","64.878","0.006","2413.6","0.7","103.15","","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H95 Cl9 N6 O18 S6 -","- C93 H92 Cl9 N6 O18 S6 -","- C93 H92 Cl9 N6 O18 S6 -","1","0.5","","Takuma Yasuda; Tomohiro Shimizu; Feng Liu; Goran Ungar; Takashi Kato","Electro-Functional Octupolar π-Conjugated Columnar Liquid Crystals","Journal of the American Chemical Society","2011","133","","13437","13444","10.1021/ja2035255","","","0.7107","MoKα","","0.0531","0.0458","","","0.1057","0.1109","","","","","","1.061","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106658","16.4887","0.0006","7.1507","0.0003","14.5744","0.0006","90","","101.336","0.001","90","","1684.88","0.12","100","","100","","","","","","","","diethylether","5","C 1 2 1","C 2y","5","","","","- C16 H17 Cl N2 O6 -","- C16 H17 Cl N2 O6 -","- C64 H68 Cl4 N8 O24 -","4","1","","Volker Hickmann; Azusa Kondoh; Barbara Gabor; Manuel Alcarazo; Alois Fürstner","Catalysis-Based and Protecting-Group-Free Total Syntheses of the Marine Oxylipins Hybridalactone and the Ecklonialactones A, B, and C","Journal of the American Chemical Society","2011","133","","13471","13480","10.1021/ja204027a","","","1.54178","Cu-Kα","","0.0281","0.0267","","","0.0594","0.0598","","","","","","1.083","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106659","9.175","0.005","8.368","0.005","14.289","0.005","90","0.005","100.801","0.005","90","0.005","1077.6","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Br N O6 -","- C22 H22 Br N O6 -","- C44 H44 Br2 N2 O12 -","2","1","","Long He; Xiao-Hua Chen; De-Nan Wang; Shi-Wei Luo; Wen-Quan Zhang; Jie Yu; Lei Ren; Liu-Zhu Gong","Binaphthol-Derived Bisphosphoric Acids Serve as Efficient Organocatalysts for Highly Enantioselective 1,3-Dipolar Cycloaddition of Azomethine Ylides to Electron-Deficient Olefins","Journal of the American Chemical Society","2011","133","","13504","13518","10.1021/ja204218h","","","1.54184","CuKα","","0.0253","0.0247","","","0.0583","0.0586","","","","","","1","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106660","11.336","0.0015","6.2113","0.0007","15.8921","0.0019","90","","100.095","0.013","90","","1101.7","0.2","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl N O8 -","- C20 H24 Cl N O8 -","- C40 H48 Cl2 N2 O16 -","2","1","","Long He; Xiao-Hua Chen; De-Nan Wang; Shi-Wei Luo; Wen-Quan Zhang; Jie Yu; Lei Ren; Liu-Zhu Gong","Binaphthol-Derived Bisphosphoric Acids Serve as Efficient Organocatalysts for Highly Enantioselective 1,3-Dipolar Cycloaddition of Azomethine Ylides to Electron-Deficient Olefins","Journal of the American Chemical Society","2011","133","","13504","13518","10.1021/ja204218h","","","1.54184","CuKα","","0.0718","0.0386","","","0.0888","0.1264","","","","","","1.072","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106661","12.6724","0.0006","5.5879","0.0003","14.6076","0.0006","90","","110.988","0.005","90","","965.77","0.09","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl N O5 -","- C18 H22 Cl N O5 -","- C36 H44 Cl2 N2 O10 -","2","1","","Long He; Xiao-Hua Chen; De-Nan Wang; Shi-Wei Luo; Wen-Quan Zhang; Jie Yu; Lei Ren; Liu-Zhu Gong","Binaphthol-Derived Bisphosphoric Acids Serve as Efficient Organocatalysts for Highly Enantioselective 1,3-Dipolar Cycloaddition of Azomethine Ylides to Electron-Deficient Olefins","Journal of the American Chemical Society","2011","133","","13504","13518","10.1021/ja204218h","","","1.54184","CuKα","","0.055","0.0471","","","0.0984","0.1047","","","","","","1.012","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106662","10.9465","0.0016","28.851","0.005","32.054","0.005","90","","94.241","0.007","90","","10095","3","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C99 H115 B2 Cl3 N10 O11 Ru2 -","- C98 H114 B2 N10 O11 Ru2 -","- C392 H456 B8 N40 O44 Ru8 -","4","1","","Stephen D. J. McKinnon; Brian O. Patrick; A. B. P. Lever; Robin G. Hicks","Electronic Structure Investigations of Neutral and Charged Ruthenium Bis(β-diketonate) Complexes of Redox-Active Verdazyl Radicals","Journal of the American Chemical Society","2011","133","","13587","13603","10.1021/ja204575u","","","0.71069","MoKα","","0.0644","0.046","","","0.0894","0.0948","","","","","","1.002","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106663","9.8754","0.0014","18.263","0.003","18.489","0.003","96.479","0.008","103.164","0.007","90.168","0.007","3224.8","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H20 B F16 N5 O5 Ru -","- C23 H20 B F16 N5 O5 Ru -","- C92 H80 B4 F64 N20 O20 Ru4 -","4","2","","Stephen D. J. McKinnon; Brian O. Patrick; A. B. P. Lever; Robin G. Hicks","Electronic Structure Investigations of Neutral and Charged Ruthenium Bis(β-diketonate) Complexes of Redox-Active Verdazyl Radicals","Journal of the American Chemical Society","2011","133","","13587","13603","10.1021/ja204575u","","","0.71073","MoKα","","0.0617","0.0435","","","0.1104","0.1248","","","","","","1.082","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106664","10.6135","0.0003","12.8879","0.0004","14.7751","0.0004","80.475","0.001","87.429","0.001","83.043","0.001","1977.85","0.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H30 Co F12 N5 O5 Ru -","- C33 H30 Co F12 N5 O5 Ru -","- C66 H60 Co2 F24 N10 O10 Ru2 -","2","1","","Stephen D. J. McKinnon; Brian O. Patrick; A. B. P. Lever; Robin G. Hicks","Electronic Structure Investigations of Neutral and Charged Ruthenium Bis(β-diketonate) Complexes of Redox-Active Verdazyl Radicals","Journal of the American Chemical Society","2011","133","","13587","13603","10.1021/ja204575u","","","0.71073","MoKα","","0.0456","0.033","","","0.0935","0.1056","","","","","","1.112","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106665","40.1663","0.0007","10.0105","0.00018","18.0352","0.0013","90","","99.864","0.007","90","","7144.5","0.6","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H31 Co Fe N12 O4.5 -","- C36 H31 Co Fe N12 O4.5 -","- C288 H248 Co8 Fe8 N96 O36 -","8","1","","Gözde Ulas; Gary W. Brudvig","Redirecting Electron Transfer in Photosystem II from Water to Redox-Active Metal Complexes","Journal of the American Chemical Society","2011","133","","13260","13263","10.1021/ja2049226","","","1.54187","CuKα","","","0.0377","","","","0.0996","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106666","24.7961","0.0016","11.9905","0.0008","21.8533","0.0014","90","","104.655","0.001","90","","6286","0.7","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C68 H90 Cr2 O9 -","- C68 H90 Cr2 O9 -","- C272 H360 Cr8 O36 -","4","0.5","","Matthew E. O'Reilly; Trevor J. Del Castillo; Joseph M. Falkowski; Vasanth Ramachandran; Mekhala Pati; Marie C. Correia; Khalil A. Abboud; Naresh S. Dalal; David E. Richardson; Adam S. Veige","Autocatalytic O2 Cleavage by an OCO3-Trianionic Pincer CrIII Complex: Isolation and Characterization of the Autocatalytic Intermediate [CrIV]2(μ-O) Dimer","Journal of the American Chemical Society","2011","133","","13661","13673","10.1021/ja2050474","","","0.71073","MoKα","","0.0849","0.0518","","","0.1227","0.1345","","","","","","0.989","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106667","32.3941","0.0019","47.504","0.003","36.205","0.002","90","","104.098","0.002","90","","54036","6","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C212 H216 B8 F32 Fe4 N44 O40 -","- C192 H155.5 Fe4 N24 -","- C1536 H1244 Fe32 N192 -","8","2","","Wenjing Meng; Jack K. Clegg; John D. Thoburn; Jonathan R. Nitschke","Controlling the Transmission of Stereochemical Information through Space in Terphenyl-Edged Fe4L6 Cages","Journal of the American Chemical Society","2011","133","","13652","13660","10.1021/ja205254s","","","0.71073","MoKα","","0.1809","0.1354","","","0.3483","0.3726","","","","","","1.176","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106668","29.665","0.0011","12.69","0.0005","15.048","0.0005","90","","96.166","0.0017","90","","5632","0.4","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H38 Cl2 N3 O3 Re -","- C27 H38 Cl2 N3 O3 Re -","- C216 H304 Cl16 N24 O24 Re8 -","8","1","","Jessica L. Smeltz; Paul D. Boyle; Elon A. Ison","Mechanism for the Activation of Carbon Monoxide via Oxorhenium Complexes","Journal of the American Chemical Society","2011","133","","13288","13291","10.1021/ja205477w","","","0.71073","MoKα","","0.0633","0.0319","","","0.0611","0.0689","","","","","","1.038","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106669","15.2121","0.0006","13.224","0.0005","21.2579","0.0009","90","","90","","90","","4276.3","0.3","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H14 F10 N3 O2 Re -","- C19 H14 F10 N3 O2 Re -","- C152 H112 F80 N24 O16 Re8 -","8","1","","Jessica L. Smeltz; Paul D. Boyle; Elon A. Ison","Mechanism for the Activation of Carbon Monoxide via Oxorhenium Complexes","Journal of the American Chemical Society","2011","133","","13288","13291","10.1021/ja205477w","","","0.71073","MoKα","","0.0663","0.0318","","","0.0617","0.072","","","","","","1.028","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106670","7.5547","0.0003","17.9801","0.0006","8.141","0.0003","90","","96.036","0.002","90","","1099.7","0.07","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H14 F10 N3 O3 Re -","- C20 H14 F10 N3 O3 Re -","- C40 H28 F20 N6 O6 Re2 -","2","1","","Jessica L. Smeltz; Paul D. Boyle; Elon A. Ison","Mechanism for the Activation of Carbon Monoxide via Oxorhenium Complexes","Journal of the American Chemical Society","2011","133","","13288","13291","10.1021/ja205477w","","","0.71073","MoKα","","0.0508","0.0352","","","0.0491","0.0527","","","","","","0.978","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106671","6.7185","0.0004","11.1467","0.0007","14.5891","0.0009","79.979","0.003","77.514","0.003","89.983","0.003","1049.66","0.11","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 F10 N3 O3 Re -","- C19 H14 F10 N3 O3 Re -","- C38 H28 F20 N6 O6 Re2 -","2","1","","Jessica L. Smeltz; Paul D. Boyle; Elon A. Ison","Mechanism for the Activation of Carbon Monoxide via Oxorhenium Complexes","Journal of the American Chemical Society","2011","133","","13288","13291","10.1021/ja205477w","","","0.71073","MoKα","","0.0363","0.027","","","0.0503","0.0522","","","","","","1.067","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106672","16.0653","0.0008","15.0897","0.0007","23.972","0.0011","90","","96.86","0.003","90","","5769.7","0.5","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H43 Cl N3 O2 Re -","- C28 H43 Cl N3 O2 Re -","- C224 H344 Cl8 N24 O16 Re8 -","8","2","","Jessica L. Smeltz; Paul D. Boyle; Elon A. Ison","Mechanism for the Activation of Carbon Monoxide via Oxorhenium Complexes","Journal of the American Chemical Society","2011","133","","13288","13291","10.1021/ja205477w","","","0.71073","MoKα","","0.0899","0.0408","","","0.0842","0.1006","","","","","","1.072","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106673","10.7895","0.0005","10.7895","0.0005","72.85","0.007","90","","90","","120","","7344.5","0.9","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C52 H78 N8 O2 -","- C52 H78 N8 O2 -","- C312 H468 N48 O12 -","6","1","","Shunxi Dong; Xiaohua Liu; Xiaohong Chen; Fang Mei; Yulong Zhang; Bo Gao; Lili Lin; Xiaoming Feng","Chiral Bisguanidine-Catalyzed Inverse-Electron-Demand Hetero-Diels-Alder Reaction of Chalcones with Azlactones","Journal of the American Chemical Society","2011","133","","13761","13761","10.1021/ja205501q","","","0.71073","MoKα","","0.0858","0.083","","","0.2018","0.2034","","","","","","1.24","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106674","17.7379","0.0011","11.9358","0.0007","11.4315","0.001","90","","90.061","0.009","90","","2420.2","0.3","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C19 H45 Li N4 Zn -","- C19 H45 Li N4 Zn -","- C76 H180 Li4 N16 Zn4 -","4","1","","Ross Campbell; Daniel Cannon; Pablo García-Álvarez; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson; Jörg Saßmannshausen; Tell Tuttle","Main Group Multiple C-H/N-H Bond Activation of a Diamine and Isolation of A Molecular Dilithium Zincate Hydride: Experimental and DFT Evidence for Alkali Metal-Zinc Synergistic Effects","Journal of the American Chemical Society","2011","133","","13706","13717","10.1021/ja205547h","","","1.5418","CuKα","","0.082","0.0541","","","0.1206","0.1289","","","","","","1.061","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106675","8.7028","0.0006","10.0294","0.0007","11.2396","0.0007","82.577","0.005","78.661","0.006","81.212","0.006","945.6","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H70 Li2 N4 O2 Zn2 -","- C32 H70 Li2 N4 O2 Zn2 -","- C32 H70 Li2 N4 O2 Zn2 -","1","0.5","","Ross Campbell; Daniel Cannon; Pablo García-Álvarez; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson; Jörg Saßmannshausen; Tell Tuttle","Main Group Multiple C-H/N-H Bond Activation of a Diamine and Isolation of A Molecular Dilithium Zincate Hydride: Experimental and DFT Evidence for Alkali Metal-Zinc Synergistic Effects","Journal of the American Chemical Society","2011","133","","13706","13717","10.1021/ja205547h","","","0.71073","MoKα","","0.0754","0.0448","","","0.0771","0.0834","","","","","","0.99","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106676","10.0019","0.0002","15.417","0.0005","20.577","0.0006","90","","96.674","0.002","90","","3151.46","0.15","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H60 Li2 N6 Zn -","- C24 H60 Li2 N6 Zn -","- C96 H240 Li8 N24 Zn4 -","4","1","","Ross Campbell; Daniel Cannon; Pablo García-Álvarez; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson; Jörg Saßmannshausen; Tell Tuttle","Main Group Multiple C-H/N-H Bond Activation of a Diamine and Isolation of A Molecular Dilithium Zincate Hydride: Experimental and DFT Evidence for Alkali Metal-Zinc Synergistic Effects","Journal of the American Chemical Society","2011","133","","13706","13717","10.1021/ja205547h","","","0.71073","MoKα","","0.0863","0.0458","","","0.091","0.0978","","","","","","0.909","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106677","19.7144","0.0014","9.2884","0.0006","20.2438","0.0014","90","","94.958","0.006","90","","3693.1","0.4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H68 Li4 N8 -","- C28 H68 Li4 N8 -","- C112 H272 Li16 N32 -","4","0.5","","Ross Campbell; Daniel Cannon; Pablo García-Álvarez; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson; Jörg Saßmannshausen; Tell Tuttle","Main Group Multiple C-H/N-H Bond Activation of a Diamine and Isolation of A Molecular Dilithium Zincate Hydride: Experimental and DFT Evidence for Alkali Metal-Zinc Synergistic Effects","Journal of the American Chemical Society","2011","133","","13706","13717","10.1021/ja205547h","","","0.71073","MoKα","","0.0907","0.0523","","","0.1418","0.1519","","","","","","0.965","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106678","9.6661","0.0003","9.8248","0.0005","15.2836","0.0007","81.497","0.004","88.765","0.003","84.978","0.003","1429.93","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H49 N2 Na O3 Zn -","- C24 H49 N2 Na O3 Zn -","- C48 H98 N4 Na2 O6 Zn2 -","2","1","","Ross Campbell; Daniel Cannon; Pablo García-Álvarez; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson; Jörg Saßmannshausen; Tell Tuttle","Main Group Multiple C-H/N-H Bond Activation of a Diamine and Isolation of A Molecular Dilithium Zincate Hydride: Experimental and DFT Evidence for Alkali Metal-Zinc Synergistic Effects","Journal of the American Chemical Society","2011","133","","13706","13717","10.1021/ja205547h","","","1.5418","CuKα","","0.0611","0.0582","","","0.1663","0.1701","","","","","","1.061","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106679","14.0362","0.0012","19.075","0.0014","18.1701","0.0014","90","","93.665","0.007","90","","4854.9","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38.25 H91.25 N8 Na2 Zn2 -","- C38.25 H91.25 N8 Na2 Zn2 -","- C153 H365 N32 Na8 Zn8 -","4","1","","Ross Campbell; Daniel Cannon; Pablo García-Álvarez; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson; Jörg Saßmannshausen; Tell Tuttle","Main Group Multiple C-H/N-H Bond Activation of a Diamine and Isolation of A Molecular Dilithium Zincate Hydride: Experimental and DFT Evidence for Alkali Metal-Zinc Synergistic Effects","Journal of the American Chemical Society","2011","133","","13706","13717","10.1021/ja205547h","","","1.5418","CuKα","","0.1111","0.0605","","","0.1422","0.1515","","","","","","0.944","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106680","30.803","0.001","30.803","0.001","30.803","0.001","90","","90","","90","","29226.7","1.6","293","2","293","2","","","","","","","synthesis as described","6","P m -3 m","-P 4 2 3","221","","","","- C336 H240 F48 N48 O24 Pt12 -","- C336 H240 F48.32 N48 O24 Pt12 -","- C336 H240 F48.32 N48 O24 Pt12 -","1","0.0208333","","Daishi Fujita; Asana Takahashi; Sota Sato; Makoto Fujita","Self-Assembly of Pt(II) Spherical Complexes via Temporary Labilization of the Metal-Ligand Association in 2,2,2-Trifluoroethanol","Journal of the American Chemical Society","2011","133","","13317","13319","10.1021/ja2059236","","x-ray","0.75","synchrotron","","0.1411","0.1081","","","0.3217","0.3409","","","","","","1.24","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106681","8.1756","0.0005","19.3065","0.0013","8.7629","0.0006","90","","114.448","0.001","90","","1259.14","0.14","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cu2 N8 O8 -","- C20 H24 Cu2 N8 O8 -","- C40 H48 Cu4 N16 O16 -","2","0.5","","Gui-Chao Kuang; Pampa M. Guha; Wendy S. Brotherton; J. Tyler Simmons; Lisa A. Stankee; Brian T. Nguyen; Ronald J. Clark; Lei Zhu","Experimental Investigation on the Mechanism of Chelation-Assisted, Copper(II) Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of the American Chemical Society","2011","133","","13984","14001","10.1021/ja203733q","","","0.71073","MoKα","","0.0224","0.0206","","","0.0571","0.0581","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106682","8.0771","0.0011","19.731","0.003","17.378","0.002","90","","92.421","0.002","90","","2767","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Cu2 N8 O8 -","- C22 H28 Cu2 N8 O8 -","- C88 H112 Cu8 N32 O32 -","4","1","","Gui-Chao Kuang; Pampa M. Guha; Wendy S. Brotherton; J. Tyler Simmons; Lisa A. Stankee; Brian T. Nguyen; Ronald J. Clark; Lei Zhu","Experimental Investigation on the Mechanism of Chelation-Assisted, Copper(II) Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of the American Chemical Society","2011","133","","13984","14001","10.1021/ja203733q","","","0.71073","MoKα","","0.061","0.0528","","","0.1299","0.1348","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106683","8.6638","0.0004","12.9337","0.0007","18.688","0.001","90","","90","","90","","2094.08","0.19","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Cu N6 O4 -","- C6 H8 Cu N6 O4 -","- C48 H64 Cu8 N48 O32 -","8","1","","Gui-Chao Kuang; Pampa M. Guha; Wendy S. Brotherton; J. Tyler Simmons; Lisa A. Stankee; Brian T. Nguyen; Ronald J. Clark; Lei Zhu","Experimental Investigation on the Mechanism of Chelation-Assisted, Copper(II) Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of the American Chemical Society","2011","133","","13984","14001","10.1021/ja203733q","","","0.71073","MoKα","","0.0219","0.0202","","","0.0541","0.0552","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106684","11.3067","0.0018","9.8359","0.0018","17.993","0.003","90","","93.869","0.003","90","","1996.5","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 Cu2 O6 -","- C6 H12 Cu2 O6 -","- C48 H96 Cu16 O48 -","8","1","","Gui-Chao Kuang; Pampa M. Guha; Wendy S. Brotherton; J. Tyler Simmons; Lisa A. Stankee; Brian T. Nguyen; Ronald J. Clark; Lei Zhu","Experimental Investigation on the Mechanism of Chelation-Assisted, Copper(II) Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of the American Chemical Society","2011","133","","13984","14001","10.1021/ja203733q","","","0.71073","MoKα","","0.0859","0.0531","","","0.1245","0.1438","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106685","11.6811","0.0007","15.1266","0.0009","23.7925","0.0014","81.496","0.001","88.231","0.001","77.396","0.001","4057.6","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H102 Cu14 O8 -","- C68 H102 Cu14 O8 -","- C136 H204 Cu28 O16 -","2","1","","Gui-Chao Kuang; Pampa M. Guha; Wendy S. Brotherton; J. Tyler Simmons; Lisa A. Stankee; Brian T. Nguyen; Ronald J. Clark; Lei Zhu","Experimental Investigation on the Mechanism of Chelation-Assisted, Copper(II) Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of the American Chemical Society","2011","133","","13984","14001","10.1021/ja203733q","","","0.71073","MoKα","","0.0427","0.0303","","","0.0681","0.0722","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106686","10.8256","0.0005","10.8722","0.0005","11.1507","0.0005","90","","117.48","","90","","1164.34","0.09","153","2","153","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 -","- C12 H18 -","- C48 H72 -","4","1","","Gui-Chao Kuang; Pampa M. Guha; Wendy S. Brotherton; J. Tyler Simmons; Lisa A. Stankee; Brian T. Nguyen; Ronald J. Clark; Lei Zhu","Experimental Investigation on the Mechanism of Chelation-Assisted, Copper(II) Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of the American Chemical Society","2011","133","","13984","14001","10.1021/ja203733q","","","0.71073","MoKα","","0.0623","0.0555","","","0.165","0.1729","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106687","11.905","0.0017","14.3684","0.0019","11.905","0.0017","90","","117.48","","90","","1806.7","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H42 Cr0 N2 O23 S4 V6 -","- C16 H42 N2 O23 S4 V6 -","- C32 H84 N4 O46 S8 V12 -","2","0.5","","Dong Li; Jie Song; Panchao Yin; Silas Simotwo; Andrew J. Bassler; YuYu Aung; James E. Roberts; Kenneth I. Hardcastle; Craig L. Hill; Tianbo Liu","Inorganic-Organic Hybrid Vesicles with Counterion- and pH-Controlled Fluorescent Properties","Journal of the American Chemical Society","2011","133","","14010","14016","10.1021/ja204034g","","","0.71073","MoKα","","0.1175","0.0781","","","0.169","0.1885","","","","","","1.022","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106688","20.8395","0.0007","23.0194","0.0007","24.8572","0.0008","90","","90","","90","","11924.3","0.7","173","2","173","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C40 H88 N4 O19 V6 -","- C40 H88 N4 O19 V6 -","- C320 H704 N32 O152 V48 -","8","0.5","","Dong Li; Jie Song; Panchao Yin; Silas Simotwo; Andrew J. Bassler; YuYu Aung; James E. Roberts; Kenneth I. Hardcastle; Craig L. Hill; Tianbo Liu","Inorganic-Organic Hybrid Vesicles with Counterion- and pH-Controlled Fluorescent Properties","Journal of the American Chemical Society","2011","133","","14010","14016","10.1021/ja204034g","","","0.71073","MoKα","","0.0599","0.0418","","","0.1056","0.1137","","","","","","1.027","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106689","37.7321","0.0012","18.0806","0.0005","24.034","0.0008","90","","109.719","0.002","90","","15434.9","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H103 N4.5 O22.5 V6 -","- C75 H103 N4.5 O22.5 V6 -","- C600 H824 N36 O180 V48 -","8","1","","Dong Li; Jie Song; Panchao Yin; Silas Simotwo; Andrew J. Bassler; YuYu Aung; James E. Roberts; Kenneth I. Hardcastle; Craig L. Hill; Tianbo Liu","Inorganic-Organic Hybrid Vesicles with Counterion- and pH-Controlled Fluorescent Properties","Journal of the American Chemical Society","2011","133","","14010","14016","10.1021/ja204034g","","","0.71073","MoKα","","0.2225","0.0867","","","0.2193","0.2803","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106690","13.0968","0.0006","14.0641","0.0007","23.0032","0.0011","90","","90","","90","","4237.1","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H42 O2 P2 Ru -","- C56 H42 O2 P2 Ru -","- C224 H168 O8 P8 Ru4 -","4","1","","Johanna M. Blacquiere; Carolyn S. Higman; Robert McDonald; Deryn E. Fogg","A Reactive Ru-Binaphtholate Building Block with Self-Tuning Hapticity","Journal of the American Chemical Society","2011","133","","14054","14062","10.1021/ja204767a","","","0.71073","MoKα","","0.0337","0.0268","","","0.0535","0.0561","","","","","","1.027","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106691","13.1015","0.0005","13.4592","0.0005","28.5044","0.001","90","","90","","90","","5026.3","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H53 N O3 P2 Ru -","- C62 H53 N O3 P2 Ru -","- C248 H212 N4 O12 P8 Ru4 -","4","1","","Johanna M. Blacquiere; Carolyn S. Higman; Robert McDonald; Deryn E. Fogg","A Reactive Ru-Binaphtholate Building Block with Self-Tuning Hapticity","Journal of the American Chemical Society","2011","133","","14054","14062","10.1021/ja204767a","","","0.71073","MoKα","","0.0593","0.038","","","0.0728","0.0812","","","","","","1.023","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106692","18.0557","0.0004","19.4773","0.0005","12.7568","0.0003","90","","90","","90","","4486.26","0.19","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C53 H49 N2 O3.25 P Ru -","- C53 H49 N2 O3.25 P Ru -","- C212 H196 N8 O13 P4 Ru4 -","4","1","","Johanna M. Blacquiere; Carolyn S. Higman; Robert McDonald; Deryn E. Fogg","A Reactive Ru-Binaphtholate Building Block with Self-Tuning Hapticity","Journal of the American Chemical Society","2011","133","","14054","14062","10.1021/ja204767a","","","0.71073","MoKα","","0.0331","0.0316","","","0.0969","0.0985","","","","","","1.083","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106693","19.3461","0.0006","8.9264","0.0003","24.7549","0.0008","90","","105.939","0.002","90","","4110.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C97 H110 Cl2 N4 -","- C96 H108 N4 -","- C192 H216 N8 -","2","1","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","1.54178","CuKα","","0.0956","0.0877","","","0.2382","0.2442","","","","","","1.063","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106694","19.4024","0.0007","8.9759","0.0003","24.5083","0.0007","90","","106.389","0.003","90","","4094.8","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C97 H112 N4 O -","- C96 H108 N4 -","- C192 H216 N8 -","2","1","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","1.54178","CuKα","","0.1302","0.0891","","","0.2339","0.2609","","","","","","0.977","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106695","42.96","0.017","9.082","0.004","24.092","0.01","90","","105.579","0.011","90","","9054","7","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C98 H112 Cl4 N4 -","- C96 H108 N4 -","- C384 H432 N16 -","4","0.5","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","0.71073","MoKα","","0.1261","0.0567","","","0.1349","0.1564","","","","","","0.903","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106696","19.277","0.003","48.012","0.007","10.382","0.002","90","","122.58","","90","","8097","2","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C100 H116 N4 -","- C100 H116 N4 -","- C400 H464 N16 -","4","1","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","1.54178","CuKα","","0.0474","0.0436","","","0.1126","0.1152","","","","","","1.109","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106697","9.0398","0.0009","14.0715","0.0013","14.9754","0.0014","68.419","0.003","77.031","0.003","73.791","0.004","1685.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H80 Cl4 N4 -","- C82 H80 Cl4 N4 -","- C82 H80 Cl4 N4 -","1","0.5","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","0.71073","MoKα","","0.0709","0.0531","","","0.1431","0.1552","","","","","","1.045","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106698","9.2308","0.0004","13.2487","0.0006","15.2331","0.0007","68.242","0.002","74.84","0.002","75.25","0.002","1643.98","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H80 Cl2 N4 -","- C82 H80 Cl2 N4 -","- C82 H80 Cl2 N4 -","1","0.5","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","1.54178","CuKα","","0.0525","0.0484","","","0.134","0.1383","","","","","","1.043","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106699","9.6728","0.0002","12.2684","0.0002","15.8148","0.0003","95.993","0.001","98.72","0.001","102.365","0.001","1793.72","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C92 H100 N4 -","- C92 H100 N4 -","- C92 H100 N4 -","1","0.5","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","1.54178","CuKα","","0.1279","0.0952","","","0.2565","0.2814","","","","","","1.05","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106700","14.2975","0.0013","7.2035","0.0007","9.9433","0.0009","90","","101.939","0.004","90","","1001.93","0.16","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cl N -","- C8 H18 Cl N -","- C32 H72 Cl4 N4 -","4","1","","Jun Wang; Chunlong Ma; Yibing Wu; Robert A. Lamb; Lawrence H. Pinto; William F. DeGrado","Exploring Organosilane Amines as Potent Inhibitors and Structural Probes of Influenza A Virus M2 Proton Channel","Journal of the American Chemical Society","2011","133","","13844","13847","10.1021/ja2050666","","","0.71073","MoKα","","0.0318","0.0274","","","0.0724","0.078","","","","","","1.09","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106701","6.1466","0.0003","29.0217","0.0017","6.3483","0.0003","90","","109.534","0.002","90","","1067.26","0.1","143","1","143","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H18 Cl N Si -","- C7 H18 Cl N Si -","- C28 H72 Cl4 N4 Si4 -","4","1","","Jun Wang; Chunlong Ma; Yibing Wu; Robert A. Lamb; Lawrence H. Pinto; William F. DeGrado","Exploring Organosilane Amines as Potent Inhibitors and Structural Probes of Influenza A Virus M2 Proton Channel","Journal of the American Chemical Society","2011","133","","13844","13847","10.1021/ja2050666","","","0.71073","MoKα","","0.071","0.0674","","","0.1513","0.1526","","","","","","1.268","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106702","8.2905","0.0003","10.0263","0.0003","23.1917","0.0008","90","","90","","90","","1927.76","0.11","100","","100","","","","","","","","LOC ETH Zurich","6","P b c a","-P 2ac 2ab","61","","2-fluoro-4,5-dimethyl-2-phenyl-1,3,4,2-dioxazaborol-4-ium-2-uide","","- C9 H11 B F N O2 -","- C9 H11 B F N O2 -","- C72 H88 B8 F8 N8 O16 -","8","1","","Cam-Van T. Vo; T. Andrew Mitchell; Jeffrey W. Bode","Expanded Substrate Scope and Improved Reactivity of Ether-Forming Cross-Coupling Reactions of Organotrifluoroborates and Acetals","Journal of the American Chemical Society","2011","133","","14082","14089","10.1021/ja205174c","","","0.71073","MoKα","","0.0563","0.0412","","","0.1231","0.1441","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106703","10.967","0.002","16.718","0.003","12.659","0.003","90","","91.286","0.005","90","","2320.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 Fe6 N18 O6 -","- C46 H48 Fe6 N18 O6 -","- C92 H96 Fe12 N36 O12 -","2","0.5","","T. David Harris; Theodore A. Betley","Multi-Site Reactivity: Reduction of Six Equivalents of Nitrite To Give an Fe6(NO)6 Cluster with a Dramatically Expanded Octahedral Core","Journal of the American Chemical Society","2011","133","","13852","13855","10.1021/ja2052655","","","0.71073","MoKα","","0.1315","0.0558","","","0.0893","0.1121","","","","","","0.984","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106704","13.0992","0.0019","13.669","0.002","24.162","0.003","90","","94.322","0.002","90","","4314","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C79 H121.5 Fe6 N20.5 O12 -","- C79 H121.5 Fe6 N20.5 O12 -","- C158 H243 Fe12 N41 O24 -","2","0.5","","T. David Harris; Theodore A. Betley","Multi-Site Reactivity: Reduction of Six Equivalents of Nitrite To Give an Fe6(NO)6 Cluster with a Dramatically Expanded Octahedral Core","Journal of the American Chemical Society","2011","133","","13852","13855","10.1021/ja2052655","","","0.71073","MoKα","","0.1746","0.0996","","","0.2239","0.2609","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106705","5.7685","0.0003","10.6003","0.0005","12.1274","0.0006","90","","94.518","0.002","90","","739.26","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C42 H32 O6 -","2","1","","James A. Birrell; Jean-Nicolas Desrosiers; Eric N. Jacobsen","Enantioselective Acylation of Silyl Ketene Acetals through Fluoride Anion-Binding Catalysis","Journal of the American Chemical Society","2011","133","","13872","13875","10.1021/ja205602j","","","1.54178","CuKα","","0.0218","0.0217","","","0.0563","0.0564","","","","","","1.047","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106706","11.003","0.002","13.965","0.003","21.741","0.004","90","","90.25","0.03","90","","3340.6","1.1","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H85 Au2 N P2 -","- C72 H82 Au2 N P2 -","- C144 H164 Au4 N2 P4 -","2","0.5","","Wei Lu; Wai-Ming Kwok; Chensheng Ma; Chris Tsz-Leung Chan; Ming-Xin Zhu; Chi-Ming Che","Organic Triplet Excited States of Gold(I) Complexes with Oligo(o- orm-phenyleneethynylene) Ligands: Conjunction of Steady-State and Time-Resolved Spectroscopic Studies on Exciton Delocalization and Emission Pathways","Journal of the American Chemical Society","2011","133","","14120","14135","10.1021/ja205831v","","","0.71073","MoKα","","0.0565","0.0395","","","0.1023","0.1072","","","","","","0.966","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106707","18.1581","0.0002","15.6513","0.0002","19.1011","0.0002","90","","107.021","0.0004","90","","5190.71","0.1","120","2","120","2","","","","","","","Marco Wenzel","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H54 F15 N9 O3 S3 -","- C43 H54 F15 N9 O3 S3 -","- C172 H216 F60 N36 O12 S12 -","4","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.1197","0.1073","","","0.2222","0.23","","","","","","1.054","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4106708","9.4003","0.0003","12.4017","0.0003","12.7967","0.0004","85.417","0.002","70.634","0.002","72.182","0.002","1339.53","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 F3 N7 O3 -","- C27 H30 F3 N7 O3 -","- C54 H60 F6 N14 O6 -","2","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0662","0.0507","","","0.0978","0.1065","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106709","7.7351","0.0015","18.62","0.004","20.778","0.004","108.11","0.03","90.13","0.03","95.55","0.03","2829.4","1.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 F3 N7 S3 -","- C27 H30 F3 N7 S3 -","- C108 H120 F12 N28 S12 -","4","2","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0846","0.0638","","","0.1414","0.1559","","","","","","1.083","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106710","9.4376","0.0001","24.647","0.0002","15.5593","0.0002","90","","91.717","0.001","90","","3617.6","0.07","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 F9 N7 O S3 -","- C32 H36 F9 N7 O S3 -","- C128 H144 F36 N28 O4 S12 -","4","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0537","0.0444","","","0.112","0.1178","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106711","14.296","0.003","13.337","0.003","24.209","0.005","90","","103.24","0.03","90","","4493.1","1.8","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H66 Cl F3 N8 O3 -","- C43 H66 Cl F3 N8 O3 -","- C172 H264 Cl4 F12 N32 O12 -","4","2","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0546","0.0484","","","0.1111","0.1142","","","","","","1.154","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106712","15.5466","0.0002","12.5639","0.0002","24.0788","0.0004","90","","98.139","0.001","90","","4655.84","0.12","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H66 Cl F3 N8 S3 -","- C43 H66 Cl F3 N8 S3 -","- C172 H264 Cl4 F12 N32 S12 -","4","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0936","0.0734","","","0.1795","0.1986","","","","","","1.013","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106713","11.883","0.0002","14.077","0.0002","16.0453","0.0001","80.918","0.001","81.677","0.001","80.137","0.001","2592","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H54 Cl F15 N8 S3 -","- C43 H54 Cl F15 N8 S3 -","- C86 H108 Cl2 F30 N16 S6 -","2","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.051","0.0425","","","0.1268","0.1331","","","","","","1.142","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106714","13.3402","0.0002","13.9433","0.0003","16.0351","0.0003","110.739","0.001","108.838","0.001","97.067","0.001","2543.25","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H152 F6 N16 O6 S7 -","- C94 H152 F6 N16 O6 S7 -","- C94 H152 F6 N16 O6 S7 -","1","0.5","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0789","0.0598","","","0.1475","0.1606","","","","","","1.04","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106715","22.5108","0.0002","12.6543","0.0002","27.685","0.0004","90","","103.915","0.001","90","","7654.87","0.18","120","2","120","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C65 H104 F15 N9 O4 S4 -","- C65 H104 F15 N9 O4 S4 -","- C260 H416 F60 N36 O16 S16 -","4","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.097","0.0782","","","0.1888","0.2084","","","","","","1.171","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106716","31.8754","0.0002","17.8361","0.0001","19.9633","0.0001","90","","117.654","0.0004","90","","10053.3","0.11","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C87 H106 F36 N16 O11 S2 -","- C87 H106 F36 N16 O11 S2 -","- C348 H424 F144 N64 O44 S8 -","4","0.5","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0744","0.0646","","","0.1636","0.174","","","","","","1.068","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106717","23.0166","0.0003","18.0997","0.0002","23.5278","0.0003","90","","111.435","0.001","90","","9123.6","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Cl2 F15 N8 S3 -","- C36 H39 Cl2 F15 N8 S3 -","- C288 H312 Cl16 F120 N64 S24 -","8","2","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.1275","0.096","","","0.242","0.2721","","","","","","1.048","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106718","13.3126","0.0002","13.8595","0.0002","16.0796","0.0003","110.712","0.001","109.217","0.001","96.384","0.001","2531.92","0.08","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H132 F6 N16 O4 P S6 -","- C86 H132 F6 N16 O4 P S6 -","- C86 H132 F6 N16 O4 P S6 -","1","0.5","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0653","0.053","","","0.1384","0.147","","","","","","1.082","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106719","12.0334","0.0019","16.235","0.003","16.947","0.003","76.759","0.009","74.367","0.011","77.746","0.01","3063.3","0.9","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H66 F15 N8 O5 P S3 -","- C47 H66 F15 N8 O5 P S3 -","- C94 H132 F30 N16 O10 P2 S6 -","2","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.1725","0.1323","","","0.3319","0.36","","","","","","1.079","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106720","17.8434","0.0003","26.1975","0.0005","26.2403","0.0005","90","","107.687","0.001","90","","11686.3","0.4","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C98 H126 F36 N16 O4 P S6 -","- C98 H126 F36 N16 O4 P S6 -","- C392 H504 F144 N64 O16 P4 S24 -","4","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.1584","0.09","","","0.1581","0.1925","","","","","","1.074","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106721","13.55","0.003","6.4558","0.0013","32.423","0.007","90","","90","","90","","2836.2","1","150","1","150","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H13 B Br N O5 -","- C13 H13 B Br N O5 -","- C104 H104 B8 Br8 N8 O40 -","8","2","","Zhi He; Andrei K. Yudin","Amphoteric α-Boryl Aldehydes","Journal of the American Chemical Society","2011","133","","13770","13773","10.1021/ja205910d","","","0.71073","MoKα","","0.1518","0.0829","","","0.1961","0.2369","","","","","","1.003","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106722","7.217","0.003","10.952","0.004","10.924","0.004","90","","93.419","0.006","90","","861.9","0.6","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H26 B N O4 -","- C17 H26 B N O4 -","- C34 H52 B2 N2 O8 -","2","1","","Junqi Li; Martin D. Burke","Pinene-Derived Iminodiacetic Acid (PIDA): A Powerful Ligand for Stereoselective Synthesis and Iterative Cross-Coupling of C(sp3) Boronate Building Blocks","Journal of the American Chemical Society","2011","133","","13774","13777","10.1021/ja205912y","","","0.71073","MoKα","","0.0348","0.0323","","","0.0819","0.0836","","","","","","1.076","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106723","7.0616","0.0006","10.2832","0.0008","29.237","0.002","90","","90","","90","","2123.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 B N O5 -","- C22 H28 B N O5 -","- C88 H112 B4 N4 O20 -","4","1","","Junqi Li; Martin D. Burke","Pinene-Derived Iminodiacetic Acid (PIDA): A Powerful Ligand for Stereoselective Synthesis and Iterative Cross-Coupling of C(sp3) Boronate Building Blocks","Journal of the American Chemical Society","2011","133","","13774","13777","10.1021/ja205912y","","","0.71073","MoKα","","0.0532","0.0369","","","0.0826","0.0889","","","","","","1.027","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106724","7.4261","0.0006","10.3634","0.0008","11.3317","0.0009","90","","99.312","0.003","90","","860.59","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H26 B N O5 -","- C17 H26 B N O5 -","- C34 H52 B2 N2 O10 -","2","1","","Junqi Li; Martin D. Burke","Pinene-Derived Iminodiacetic Acid (PIDA): A Powerful Ligand for Stereoselective Synthesis and Iterative Cross-Coupling of C(sp3) Boronate Building Blocks","Journal of the American Chemical Society","2011","133","","13774","13777","10.1021/ja205912y","","","0.71073","MoKα","","0.0421","0.034","","","0.0794","0.0832","","","","","","1.051","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106725","7.2683","0.0004","10.2312","0.0006","10.5809","0.0006","90","","93.78","0.003","90","","785.12","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 B N O5 -","- C16 H24 B N O5 -","- C32 H48 B2 N2 O10 -","2","1","","Junqi Li; Martin D. Burke","Pinene-Derived Iminodiacetic Acid (PIDA): A Powerful Ligand for Stereoselective Synthesis and Iterative Cross-Coupling of C(sp3) Boronate Building Blocks","Journal of the American Chemical Society","2011","133","","13774","13777","10.1021/ja205912y","","","0.71073","MoKα","","0.0314","0.0293","","","0.0785","0.0799","","","","","","1.051","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106726","11.4292","0.0011","13.9385","0.0013","11.4429","0.0012","90","","91.216","0.006","90","","1822.5","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H44 B Cl2 N O6 -","- C38 H44 B Cl2 N O6 -","- C76 H88 B2 Cl4 N2 O12 -","2","1","","Junqi Li; Martin D. Burke","Pinene-Derived Iminodiacetic Acid (PIDA): A Powerful Ligand for Stereoselective Synthesis and Iterative Cross-Coupling of C(sp3) Boronate Building Blocks","Journal of the American Chemical Society","2011","133","","13774","13777","10.1021/ja205912y","","","0.71073","MoKα","","0.1107","0.0528","","","0.0994","0.1198","","","","","","0.965","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106727","5.8888","0.0001","8.9545","0.0001","28.5863","0.0004","90","","90","","90","","1507.39","0.04","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O3 -","- C17 H14 Br N O3 -","- C68 H56 Br4 N4 O12 -","4","1","","Aurélien Bigot; Alice E. Williamson; Matthew J. Gaunt","Enantioselective α-Arylation of N-Acyloxazolidinones with Copper(II)-bisoxazoline Catalysts and Diaryliodonium Salts","Journal of the American Chemical Society","2011","133","","13778","13781","10.1021/ja206047h","","","0.71073","MoKα","","0.0371","0.029","","","0.068","0.07","","","","","","0.967","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106728","8.6245","0.0003","14.7525","0.0006","16.9723","0.0006","101.741","0.002","93.206","0.002","92.356","0.002","2107.9","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H25 Cl2 F3 N2 O4 -","- C17 H25 Cl2 F3 N2 O4 -","- C68 H100 Cl8 F12 N8 O16 -","4","2","","Shun Su; Rodrigo A. Rodriguez; Phil S. Baran","Scalable, Stereocontrolled Total Syntheses of (\±)-Axinellamines A and B","Journal of the American Chemical Society","2011","133","","13922","13925","10.1021/ja206191g","","","0.71073","MoKα","","0.0584","0.0385","","","0.0897","0.1009","","","","","","1.015","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106729","7.6055","0.001","21.324","0.003","14.1065","0.0018","90","","98.636","0.002","90","","2261.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl F6 N10 O4 -","- C15 H17 Cl F6 N10 O4 -","- C60 H68 Cl4 F24 N40 O16 -","4","1","","Shun Su; Rodrigo A. Rodriguez; Phil S. Baran","Scalable, Stereocontrolled Total Syntheses of (\±)-Axinellamines A and B","Journal of the American Chemical Society","2011","133","","13922","13925","10.1021/ja206191g","","","0.71073","MoKα","","0.0531","0.0411","","","0.096","0.1027","","","","","","1.035","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106730","4.742","","25.691","","12.212","","90","","90","","90","","1487.75","","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H28 F3 N4 O7 S -","- C31 H29 F3 N4 O7 S -","- C62 H58 F6 N8 O14 S2 -","2","1","","Changliang Ren; Victor Maurizot; Huaiqing Zhao; Jie Shen; Feng Zhou; Wei Qiang Ong; Zhiyun Du; Kun Zhang; Haibin Su; Huaqiang Zeng","Five-Fold-Symmetric Macrocyclic Aromatic Pentamers: High-Affinity Cation Recognition, Ion-Pair-Induced Columnar Stacking, and Nanofibrillation","Journal of the American Chemical Society","2011","133","","13930","13933","10.1021/ja206457b","","","0.71073","MoKα","","0.0948","0.0889","","","0.181","0.197","","","","","","1.213","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106731","18.941","0.004","36.035","0.007","38.593","0.008","90","","90","","90","","26341","9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C122 H152 N8 O6 S -","- C122 H87 N8 O6 S -","- C976 H696 N64 O48 S8 -","8","2","","Jae-min Suk; Veluru Ramesh Naidu; Xinfang Liu; Myoung Soo Lah; Kyu-Sung Jeong","A Foldamer-Based Chiroptical Molecular Switch That Displays Complete Inversion of the Helical Sense upon Anion Binding","Journal of the American Chemical Society","2011","133","","13938","13941","10.1021/ja206546b","","","0.77","synchrotron","","0.0965","0.0797","","","0.2141","0.2283","","","","","","1.02","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4106732","18.534","0.004","27.265","0.006","27.405","0.006","90","","90","","90","","13849","5","96","2","96","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C148 H198 N8 O6 S -","- C148 H135 N8 O6 S -","- C592 H540 N32 O24 S4 -","4","1","","Jae-min Suk; Veluru Ramesh Naidu; Xinfang Liu; Myoung Soo Lah; Kyu-Sung Jeong","A Foldamer-Based Chiroptical Molecular Switch That Displays Complete Inversion of the Helical Sense upon Anion Binding","Journal of the American Chemical Society","2011","133","","13938","13941","10.1021/ja206546b","","","0.85","synchrotron","","0.1209","0.1061","","","0.2637","0.2792","","","","","","1.148","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4106733","10.987","0.002","29.8","0.006","36.063","0.007","90","","90","","90","","11807","4","96","2","96","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C135 H168 N8 O6 S -","- C135 H156 N8 O6 S -","- C540 H624 N32 O24 S4 -","4","1","","Jae-min Suk; Veluru Ramesh Naidu; Xinfang Liu; Myoung Soo Lah; Kyu-Sung Jeong","A Foldamer-Based Chiroptical Molecular Switch That Displays Complete Inversion of the Helical Sense upon Anion Binding","Journal of the American Chemical Society","2011","133","","13938","13941","10.1021/ja206546b","","","0.8","synchrotron","","0.0552","0.0501","","","0.1372","0.1419","","","","","","1.081","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4106734","22.201","0.002","11.1821","0.0012","13.4257","0.0015","90","","107.456","0.002","90","","3179.5","0.6","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C160 H152 N8 O16 -","8","2","","Kah Kah Toh; Yi-Feng Wang; Eileen Pei Jian Ng; Shunsuke Chiba","Copper-Mediated Aerobic Synthesis of 3-Azabicyclo[3.1.0]hex-2-enes and 4-Carbonylpyrroles from N-Allyl/Propargyl Enamine Carboxylates","Journal of the American Chemical Society","2011","133","","13942","13945","10.1021/ja206580j","","","0.71073","MoKα","","0.0661","0.0482","","","0.1058","0.1167","","","","","","1.035","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106735","15.3267","0.0011","16.7395","0.0013","6.3806","0.0005","90","","90","","90","","1637","0.2","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Kah Kah Toh; Yi-Feng Wang; Eileen Pei Jian Ng; Shunsuke Chiba","Copper-Mediated Aerobic Synthesis of 3-Azabicyclo[3.1.0]hex-2-enes and 4-Carbonylpyrroles from N-Allyl/Propargyl Enamine Carboxylates","Journal of the American Chemical Society","2011","133","","13942","13945","10.1021/ja206580j","","","0.71073","MoKα","","0.0549","0.0397","","","0.0981","0.1167","","","","","","1.082","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106736","3.8265","0.0003","11.2288","0.0007","27.0378","0.0017","90","","92.558","0.002","90","","1160.58","0.14","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","1","","Kah Kah Toh; Yi-Feng Wang; Eileen Pei Jian Ng; Shunsuke Chiba","Copper-Mediated Aerobic Synthesis of 3-Azabicyclo[3.1.0]hex-2-enes and 4-Carbonylpyrroles from N-Allyl/Propargyl Enamine Carboxylates","Journal of the American Chemical Society","2011","133","","13942","13945","10.1021/ja206580j","","","0.71073","MoKα","","0.056","0.0423","","","0.1102","0.1283","","","","","","1.11","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106737","8.588","0.002","10.497","0.003","13.784","0.003","90","","112.505","0.011","90","","1148","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 N O2.5 -","- C5 H8 N O2.5 -","- C40 H64 N8 O20 -","8","2","","Baidya, Mahiuddin; Yamamoto, Hisashi","Metal Nitrite: A Powerful Oxidizing Reagent","Journal of the American Chemical Society","2011","133","35","13880","13882","10.1021/ja206736q","","","0.71073","MoKα","","0.0603","0.044","","","0.1","0.1045","","","","","","0.977","","","","has coordinates","219271","2020-10-21","18:00:00",""
"4106738","5.492","0.004","8.188","0.006","13.97","0.01","96.069","0.012","100.109","0.011","104.7","0.011","590.7","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H21 N O2 -","- C12 H21 N O2 -","- C24 H42 N2 O4 -","2","1","","Baidya, Mahiuddin; Yamamoto, Hisashi","Metal Nitrite: A Powerful Oxidizing Reagent","Journal of the American Chemical Society","2011","133","35","13880","13882","10.1021/ja206736q","","","0.71073","MoKα","","0.0653","0.0527","","","0.1373","0.1436","","","","","","1.038","","","","has coordinates","219271","2020-10-21","18:00:00",""
"4106739","18.558","0.003","6.8755","0.0013","15.82","0.003","90","","110.613","0.004","90","","1889.3","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 N2 O8 -","- C18 H26 N2 O8 -","- C72 H104 N8 O32 -","4","0.5","","Baidya, Mahiuddin; Yamamoto, Hisashi","Metal Nitrite: A Powerful Oxidizing Reagent","Journal of the American Chemical Society","2011","133","35","13880","13882","10.1021/ja206736q","","","0.71073","MoKα","","0.0825","0.049","","","0.0924","0.1011","","","","","","0.883","","","","has coordinates","219271","2020-10-21","18:00:00",""
"4106740","9.8072","0.0004","10.5644","0.0004","15.4385","0.0007","92.008","0.002","94.622","0.002","95.187","0.002","1586.37","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","IPrAuCH2CH2tBu","","","- C33 H49 Au N2 -","- C33 H49 Au N2 -","- C66 H98 Au2 N4 -","2","1","","Ekaterina Tkatchouk; Neal P. Mankad; Diego Benitez; William A. Goddard; F. Dean Toste","Two Metals Are Better Than One in the Gold Catalyzed Oxidative Heteroarylation of Alkenes","Journal of the American Chemical Society","2011","133","","14293","14300","10.1021/ja2012627","","","0.71073","MoKα","","0.0135","0.0128","","","0.0315","0.0319","","","","","","1.048","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106741","39.063","0.017","9.791","0.004","16.102","0.007","90","","111.636","0.005","90","","5725","4","158","2","158","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(DIMes^Me)(AuMe)2","","","- C27 H34 Au2 N4 -","- C27 H34 Au2 N4 -","- C216 H272 Au16 N32 -","8","1","","Ekaterina Tkatchouk; Neal P. Mankad; Diego Benitez; William A. Goddard; F. Dean Toste","Two Metals Are Better Than One in the Gold Catalyzed Oxidative Heteroarylation of Alkenes","Journal of the American Chemical Society","2011","133","","14293","14300","10.1021/ja2012627","","","0.71073","MoKα","","0.0716","0.0394","","","0.0787","0.0901","","","","","","1.023","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106742","12.3331","0.0007","12.3331","0.0007","43.691","0.003","90","","90","","90","","6645.6","0.7","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","(DIMes^Me)(AuCl)2","","","- C25 H28 Au2 Cl2 N4 -","- C25 H28 Au2 Cl2 N4 -","- C200 H224 Au16 Cl16 N32 -","8","0.5","","Ekaterina Tkatchouk; Neal P. Mankad; Diego Benitez; William A. Goddard; F. Dean Toste","Two Metals Are Better Than One in the Gold Catalyzed Oxidative Heteroarylation of Alkenes","Journal of the American Chemical Society","2011","133","","14293","14300","10.1021/ja2012627","","","0.71073","MoKα","","0.0659","0.0636","","","0.1901","0.1918","","","","","","1.662","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106743","13.825","0.003","16.323","0.003","27.335","0.006","76.22","0.03","82.55","0.03","65.9","0.03","5465","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C73.19 H148.26 Bi6 K4 N9.19 O24 Pd3 Sn8 -","- C73.19 H74.38 Bi6 K4 N9.19 O24 Pd3 Sn8 -","- C146.38 H148.76 Bi12 K8 N18.38 O48 Pd6 Sn16 -","2","1","","Felicitas Lips; Rodolphe Clérac; Stefanie Dehnen","[Pd3Sn8Bi6]4-: A 14-Vertex Sn/Bi Cluster Embedding a Pd3 Triangle","Journal of the American Chemical Society","2011","133","","14168","14171","10.1021/ja203302t","","","0.71073","MoKα","","0.1083","0.0772","","","0.1882","0.2058","","","","","","1.021","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106744","14.5066","0.0003","12.3458","0.0002","19.739","0.0003","90","","91.3446","0.0017","90","","3534.19","0.11","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H55 F6 N Ni P2 -","- C36 H55 F6 N Ni P2 -","- C144 H220 F24 N4 Ni4 P8 -","4","1","","Torsten Beweries; Lee Brammer; Naseralla A. Jasim; John E. McGrady; Robin N. Perutz; Adrian C. Whitwood","Energetics of Halogen Bonding of Group 10 Metal Fluoride Complexes","Journal of the American Chemical Society","2011","133","","14338","14348","10.1021/ja203320y","","","0.7107","MoKα","","0.0569","0.0398","","","0.0831","0.0917","","","","","","1.038","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106745","13.6755","0.0013","18.4389","0.0017","17.6985","0.0016","90","","111.439","0.002","90","","4154.1","0.7","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H67 F6 N Ni P2 -","- C42 H67 F6 N Ni P2 -","- C168 H268 F24 N4 Ni4 P8 -","4","1","","Torsten Beweries; Lee Brammer; Naseralla A. Jasim; John E. McGrady; Robin N. Perutz; Adrian C. Whitwood","Energetics of Halogen Bonding of Group 10 Metal Fluoride Complexes","Journal of the American Chemical Society","2011","133","","14338","14348","10.1021/ja203320y","","","0.71073","MoKα","","0.0599","0.0434","","","0.1053","0.1139","","","","","","1.036","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106746","13.9158","0.0012","16.9189","0.0014","9.782","0.0008","90","","90","","90","","2303.1","0.3","110","2","110","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C48 H74 F5 N Ni P2 -","- C48 H74 F5 N Ni P2 -","- C96 H148 F10 N2 Ni2 P4 -","2","0.5","","Torsten Beweries; Lee Brammer; Naseralla A. Jasim; John E. McGrady; Robin N. Perutz; Adrian C. Whitwood","Energetics of Halogen Bonding of Group 10 Metal Fluoride Complexes","Journal of the American Chemical Society","2011","133","","14338","14348","10.1021/ja203320y","","","0.71073","MoKα","","0.0447","0.0348","","","0.0777","0.0816","","","","","","1.016","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106747","11.2683","0.001","16.2407","0.0015","15.646","0.0013","90","","100.23","0.002","90","","2817.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Br O -","- C15 H17 Br O -","- C120 H136 Br8 O8 -","8","2","","Jian-Ping Chen; Qian Peng; Bai-Lin Lei; Xue-Long Hou; Yun-Dong Wu","Chemo- and Regioselectivity-Tunable Pd-Catalyzed Allylic Alkylation of Imines","Journal of the American Chemical Society","2011","133","","14180","14183","10.1021/ja2039503","","","0.71073","MoKα","","0.1147","0.0531","","","0.1188","0.1341","","","","","","0.792","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106748","7.3578","0.0001","10.6646","0.0002","29.1647","0.0005","90","","90","","90","","2288.5","0.07","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O4 S -","- C25 H34 O4 S -","- C100 H136 O16 S4 -","4","1","","Jian-Ping Chen; Qian Peng; Bai-Lin Lei; Xue-Long Hou; Yun-Dong Wu","Chemo- and Regioselectivity-Tunable Pd-Catalyzed Allylic Alkylation of Imines","Journal of the American Chemical Society","2011","133","","14180","14183","10.1021/ja2039503","","","1.54178","CuKα","","0.0473","0.0452","","","0.1133","0.1156","","","","","","1.096","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106749","25.042","0.004","26.826","0.004","30.848","0.005","90","","90","","90","","20723","6","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C42 H22 Cu4 O24 -","- C42 H22 Cu4 O24 -","- C336 H176 Cu32 O192 -","8","0.25","","Jarrod F. Eubank; Hasnaa Mouttaki; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Ryan Luebke; Mohamed Alkordi; Mohamed Eddaoudi","The Quest for Modular Nanocages: tbo-MOF as an Archetype for Mutual Substitution, Functionalization, and Expansion of Quadrangular Pillar Building Blocks","Journal of the American Chemical Society","2011","133","","14204","14207","10.1021/ja205658j","","","0.40663","synchrotron","","0.0986","0.0762","","","0.2391","0.252","","","","","","1.001","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106750","18.508","0.005","18.508","0.005","31.112","0.009","90","","90","","90","","10657","5","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C60 H30 Cu4 O38 -","- C60 H30 Cu4 O38 -","- C240 H120 Cu16 O152 -","4","0.125","","Jarrod F. Eubank; Hasnaa Mouttaki; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Ryan Luebke; Mohamed Alkordi; Mohamed Eddaoudi","The Quest for Modular Nanocages: tbo-MOF as an Archetype for Mutual Substitution, Functionalization, and Expansion of Quadrangular Pillar Building Blocks","Journal of the American Chemical Society","2011","133","","14204","14207","10.1021/ja205658j","","","1.54178","CuKα","","0.1269","0.1039","","","0.2536","0.2683","","","","","","1.007","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106751","22.751","0.008","28.318","0.01","57.36","0.02","90","","90","","90","","36955","2","100","2","100","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C69 H45 Cu4 N9 O24 -","- C69 H45 Cu4 N9 O24 -","- C552 H360 Cu32 N72 O192 -","8","0.25","","Jarrod F. Eubank; Hasnaa Mouttaki; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Ryan Luebke; Mohamed Alkordi; Mohamed Eddaoudi","The Quest for Modular Nanocages: tbo-MOF as an Archetype for Mutual Substitution, Functionalization, and Expansion of Quadrangular Pillar Building Blocks","Journal of the American Chemical Society","2011","133","","14204","14207","10.1021/ja205658j","","","0.40663","synchrotron","","0.1476","0.087","","","0.2059","0.2227","","","","","","1.015","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106752","15.8983","0.0019","11.2009","0.0013","10.8406","0.0013","90","","103.385","0.002","90","","1878","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","07074a","","","- C20 H21 N O7 -","- C20 H21 N O7 -","- C80 H84 N4 O28 -","4","1","","Jennifer E. Antoline; Elizabeth H. Krenske; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Stereoselectivities and Regioselectivities of (4 + 3) Cycloadditions Between Allenamide-Derived Chiral Oxazolidinone-Stabilized Oxyallyls and Furans: Experiment and Theory","Journal of the American Chemical Society","2011","133","","14443","14451","10.1021/ja205700p","","","0.71073","MoKα","","0.0292","0.0277","","","0.0705","0.0715","","","","","","1.031","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106753","12.4116","0.0019","5.4173","0.0008","13.535","0.002","90","","112.088","0.002","90","","843.3","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","07134a","","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C38 H38 N2 O12 -","2","1","","Jennifer E. Antoline; Elizabeth H. Krenske; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Stereoselectivities and Regioselectivities of (4 + 3) Cycloadditions Between Allenamide-Derived Chiral Oxazolidinone-Stabilized Oxyallyls and Furans: Experiment and Theory","Journal of the American Chemical Society","2011","133","","14443","14451","10.1021/ja205700p","","","0.71073","MoKα","","0.0454","0.0348","","","0.0733","0.0772","","","","","","1.045","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106754","11.6952","0.001","5.5834","0.0005","11.8252","0.0011","90","","111.848","0.001","90","","716.71","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","07152a","","","- C16 H14 Br N O4 -","- C16 H14 Br N O4 -","- C32 H28 Br2 N2 O8 -","2","1","","Jennifer E. Antoline; Elizabeth H. Krenske; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Stereoselectivities and Regioselectivities of (4 + 3) Cycloadditions Between Allenamide-Derived Chiral Oxazolidinone-Stabilized Oxyallyls and Furans: Experiment and Theory","Journal of the American Chemical Society","2011","133","","14443","14451","10.1021/ja205700p","","","0.71073","MoKα","","0.0257","0.0228","","","0.0538","0.0547","","","","","","1.007","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106755","11.7943","0.0001","12.0767","0.0001","22.5791","0.0003","90","","111.838","0.001","90","","2985.29","0.06","100","2","100","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C20 H20 B F6 N5 O5 Ru S -","- C20 H20 B F6 N5 O5 Ru S -","- C80 H80 B4 F24 N20 O20 Ru4 S4 -","4","1","","Brian L. Conley; Denver Guess; Travis J. Williams","A Robust, Air-Stable, Reusable Ruthenium Catalyst for Dehydrogenation of Ammonia Borane","Journal of the American Chemical Society","2011","133","","14212","14215","10.1021/ja2058154","","","0.71073","MoKα","","0.0431","0.0314","","","0.063","0.0657","","","","","","1.078","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106756","20.789","0.0006","11.761","0.0004","19.9035","0.0006","90","","90","","90","","4866.4","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C37 H71 N3 O P Si6 U -","- C37 H71 N3 O P Si6 U -","- C148 H284 N12 O4 P4 Si24 U4 -","4","1","","Skye Fortier; Nikolas Kaltsoyannis; Guang Wu; Trevor W. Hayton","Probing the Reactivity and Electronic Structure of a Uranium(V) Terminal Oxo Complex","Journal of the American Chemical Society","2011","133","","14224","14227","10.1021/ja206083p","","","0.71073","MoKα","","0.0364","0.0262","","","0.0519","0.0552","","","","","","0.977","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106757","18.0985","0.0003","11.8238","0.0002","16.7024","0.0003","90","","115.924","0.001","90","","3214.54","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H53 N3 O Si6 U -","- C18 H53 N3 O Si6 U -","- C72 H212 N12 O4 Si24 U4 -","4","1","","Skye Fortier; Nikolas Kaltsoyannis; Guang Wu; Trevor W. Hayton","Probing the Reactivity and Electronic Structure of a Uranium(V) Terminal Oxo Complex","Journal of the American Chemical Society","2011","133","","14224","14227","10.1021/ja206083p","","","0.71073","MoKα","","0.0358","0.0227","","","0.0404","0.0431","","","","","","1","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106758","30.5707","0.0012","17.3732","0.0007","21.5107","0.0008","90","","95.226","0.003","90","","11377.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H124 N6 O2 Si14 U2 -","- C42 H124 N6 O2 Si14 U2 -","- C252 H744 N36 O12 Si84 U12 -","6","1.5","","Skye Fortier; Nikolas Kaltsoyannis; Guang Wu; Trevor W. Hayton","Probing the Reactivity and Electronic Structure of a Uranium(V) Terminal Oxo Complex","Journal of the American Chemical Society","2011","133","","14224","14227","10.1021/ja206083p","","","0.71073","MoKα","","0.0584","0.0327","","","0.0567","0.0638","","","","","","0.994","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106759","10.4612","0.0007","13.7234","0.0009","16.9659","0.0011","70.3977","0.0008","77.2013","0.0008","70.8102","0.0008","2150","0.2","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H144 Er2 K N6 O12 Si8 -","- C60 H144 Er2 K N6 O12 Si8 -","- C60 H144 Er2 K N6 O12 Si8 -","1","0.5","","Jeffrey D. Rinehart; Ming Fang; William J. Evans; Jeffrey R. Long","A N23-Radical-Bridged Terbium Complex Exhibiting Magnetic Hysteresis at 14 K","Journal of the American Chemical Society","2011","133","","14236","14239","10.1021/ja206286h","","","0.71073","MoKα","","0.0393","0.0288","","","0.0588","0.0618","","","","","","1.022","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106760","10.2704","0.0004","13.9728","0.0006","15.1455","0.0006","83.3933","0.0005","74.0667","0.0005","72.9371","0.0005","1996.57","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H128 K N6 O10 Si8 Tb2 -","- C52 H128 K N6 O10 Si8 Tb2 -","- C52 H128 K N6 O10 Si8 Tb2 -","1","0.5","","Jeffrey D. Rinehart; Ming Fang; William J. Evans; Jeffrey R. Long","A N23-Radical-Bridged Terbium Complex Exhibiting Magnetic Hysteresis at 14 K","Journal of the American Chemical Society","2011","133","","14236","14239","10.1021/ja206286h","","","0.71073","MoKα","","0.0232","0.02","","","0.0493","0.0508","","","","","","1.037","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106761","10.4651","0.0007","13.7377","0.0009","16.978","0.0012","70.4515","0.0007","77.2633","0.0008","70.8475","0.0007","2156","0.3","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H144 Ho2 K N6 O12 Si8 -","- C60 H144 Ho2 K N6 O12 Si8 -","- C60 H144 Ho2 K N6 O12 Si8 -","1","0.5","","Jeffrey D. Rinehart; Ming Fang; William J. Evans; Jeffrey R. Long","A N23-Radical-Bridged Terbium Complex Exhibiting Magnetic Hysteresis at 14 K","Journal of the American Chemical Society","2011","133","","14236","14239","10.1021/ja206286h","","","0.71073","MoKα","","0.0307","0.0239","","","0.0538","0.0564","","","","","","1.026","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106762","26.0073","0.0008","11.9479","0.0004","12.9923","0.0005","90","","92.082","0.001","90","","4034.5","0.2","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C31 H23 -","- C31 H23 -","- C248 H184 -","8","1","","Takashi Kubo; Yoshiki Katada; Akihiro Shimizu; Yasukazu Hirao; Kazunobu Sato; Takeji Takui; Mikio Uruichi; Kyuya Yakushi; Robert C. Haddon","Synthesis, Crystal Structure, and Physical Properties of Sterically Unprotected Hydrocarbon Radicals","Journal of the American Chemical Society","2011","133","","14240","14243","10.1021/ja2065768","","","0.71075","MoKα","","0.056","0.0436","","","0.1228","0.1274","","","","","","1.079","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106763","10.133","0.004","14.885","0.006","18.339","0.008","97.96","0.007","98.905","0.008","101.953","0.007","2631.5","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(1SR,2SR,3SR,4RS)-4-bromo-2,4-dideoxy-5-O-(2,3-dinitrobenzoyl) -2-fluoro-1-C-phenyl-1,3-bis-O-[tris(trimethylsilyl)silyl]pentitol","","- C36 H70 Br F N2 O8 Si8 -","- C36 H70 Br F N2 O8 Si8 -","- C72 H140 Br2 F2 N4 O16 Si16 -","2","1","","Jakub Saadi; Matsujiro Akakura; Hisashi Yamamoto","Rapid, One-Pot Synthesis of β-Siloxy-α-haloaldehydes","Journal of the American Chemical Society","2011","133","","14248","14251","10.1021/ja2066169","","","0.71073","MoKα","","0.1266","0.0706","","","0.1594","0.1789","","","","","","0.894","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106764","14.888","0.006","7.522","0.003","24.077","0.009","90","","93.645","0.008","90","","2690.9","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1RS,2SR,3SR,4RS)- 2,4-dichloro-2,4-dideoxy-1-O-(2,3-dinitrobenzoyl) -5-C-2-naphthyl-pentitol","","- C23 H19 Cl4.5 N2 O9 -","- C22.72 H18.72 Cl4.58 N2 O9 -","- C90.88 H74.88 Cl18.32 N8 O36 -","4","1","","Jakub Saadi; Matsujiro Akakura; Hisashi Yamamoto","Rapid, One-Pot Synthesis of β-Siloxy-α-haloaldehydes","Journal of the American Chemical Society","2011","133","","14248","14251","10.1021/ja2066169","","","0.71073","MoKα","","0.1748","0.0814","","","0.1873","0.2145","","","","","","0.862","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106765","9.4247","0.0002","10.6383","0.0002","11.3845","0.0002","110.181","0.001","111.185","0.001","100.274","0.001","937.17","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C42 H52 N4 O4 -","2","1","","Benjamin F. Strick; Devon A. Mundal; Regan J. Thomson","An Oxidative [2,3]-Sigmatropic Rearrangement of Allylic Hydrazides","Journal of the American Chemical Society","2011","133","","14252","14255","10.1021/ja2066219","","","1.54178","CuKα","","0.0397","0.0394","","","0.1037","0.1041","","","","","","1.058","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106766","18.4345","0.0007","5.0221","0.0002","42.0473","0.0016","90","","95.283","0.001","90","","3876.2","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 N2 O2 -","- C22 H32 N2 O2 -","- C176 H256 N16 O16 -","8","1","","Yu Liu; Yu Wang; Yufeng Wang; Jie Lu; Victor Piñón; Marcus Weck","Shell Cross-Linked Micelle-Based Nanoreactors for the Substrate-Selective Hydrolytic Kinetic Resolution of Epoxides","Journal of the American Chemical Society","2011","133","","14260","14263","10.1021/ja206644d","","","0.71073","MoKα","","0.051","0.0415","","","0.0993","0.1046","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106767","8.5834","0.0005","24.881","0.002","19.4952","0.0015","90","","95.021","0.001","90","","4147.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H53 K N2 O8 W -","- C40 H53 K N2 O8 W -","- C160 H212 K4 N8 O32 W4 -","4","1","","John A. S. Roberts; James A. Franz; Edwin F. van der Eide; Eric D. Walter; Jeffrey L. Petersen; Daniel L. DuBois; R. Morris Bullock","Comproportionation of Cationic and Anionic Tungsten Complexes Having an N-Heterocyclic Carbene Ligand To Give the Isolable 17-Electron Tungsten Radical CpW(CO)2(IMes).","Journal of the American Chemical Society","2011","133","","14593","14603","10.1021/ja202754e","","","0.71073","MoKα","","0.043","0.034","","","0.0836","0.0928","","","","","","1.074","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106768","8.4766","0.0005","16.4875","0.0011","18.8928","0.0013","77.913","0.001","81.191","0.001","86.769","0.001","2550.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N2 O2 W -","- C28 H29 N2 O2 W -","- C112 H116 N8 O8 W4 -","4","2","","John A. S. Roberts; James A. Franz; Edwin F. van der Eide; Eric D. Walter; Jeffrey L. Petersen; Daniel L. DuBois; R. Morris Bullock","Comproportionation of Cationic and Anionic Tungsten Complexes Having an N-Heterocyclic Carbene Ligand To Give the Isolable 17-Electron Tungsten Radical CpW(CO)2(IMes).","Journal of the American Chemical Society","2011","133","","14593","14603","10.1021/ja202754e","","","0.71073","MoKα","","0.0401","0.0274","","","0.0633","0.0717","","","","","","1.083","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106769","9.3124","0.0002","21.001","0.0005","68.1246","0.0015","90","","90","","90","","13323.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H41 N O6 Si -","- C24 H41 N O6 Si -","- C480 H820 N20 O120 Si20 -","20","5","","Ian B. Seiple; Shun Su; Ian S. Young; Akifumi Nakamura; Junichiro Yamaguchi; Lars Jørgensen; Rodrigo A. Rodriguez; Daniel P. O'Malley; Tanja Gaich; Matthias Köck; Phil S. Baran","Enantioselective Total Syntheses of (-)-Palau'amine, (-)-Axinellamines, and (-)-Massadines","Journal of the American Chemical Society","2011","133","","14710","14726","10.1021/ja2047232","","","1.54178","CuKα","","0.0579","0.0515","","","0.13","0.1345","","","","","","1.034","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106770","8.9324","0.0002","13.3079","0.0002","13.4168","0.0003","96.8119","0.0007","99.4211","0.0008","90.0255","0.0009","1561.94","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H8 B Cl15 -","- C25 H8 B Cl15 -","- C50 H16 B2 Cl30 -","2","1","","Andrew E. Ashley; Thomas J. Herrington; Gregory G. Wildgoose; Hasna Zaher; Amber L. Thompson; Nicholas H. Rees; Tobias Krämer; Dermot O'Hare","Separating Electrophilicity and Lewis Acidity: The Synthesis, Characterization, and Electrochemistry of the Electron Deficient Tris(aryl)boranes B(C6F5)3-n(C6Cl5)n (n= 1-3)","Journal of the American Chemical Society","2011","133","","14727","14740","10.1021/ja205037t","","","0.71073","MoKα","","0.0547","0.0342","","0.0944","0.0748","0.0944","","","","","","0.9641","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106771","9.3745","0.0002","14.6816","0.0003","14.5635","0.0004","90","","90.3251","0.001","90","","2004.38","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 B Cl5 F10 -","- C18 B Cl5 F10 -","- C72 B4 Cl20 F40 -","4","1","","Andrew E. Ashley; Thomas J. Herrington; Gregory G. Wildgoose; Hasna Zaher; Amber L. Thompson; Nicholas H. Rees; Tobias Krämer; Dermot O'Hare","Separating Electrophilicity and Lewis Acidity: The Synthesis, Characterization, and Electrochemistry of the Electron Deficient Tris(aryl)boranes B(C6F5)3-n(C6Cl5)n (n= 1-3)","Journal of the American Chemical Society","2011","133","","14727","14740","10.1021/ja205037t","","","0.71073","MoKα","","0.0653","0.0415","","0.114","0.0934","0.114","","","","","","0.9445","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106772","9.6279","0.0001","11.0451","0.0002","12.3145","0.0003","69.503","0.0007","85.059","0.0007","70.2181","0.0011","1153.47","0.04","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C18 B Cl10 F5 -","- C18 B Cl10 F5 -","- C36 B2 Cl20 F10 -","2","1","","Andrew E. Ashley; Thomas J. Herrington; Gregory G. Wildgoose; Hasna Zaher; Amber L. Thompson; Nicholas H. Rees; Tobias Krämer; Dermot O'Hare","Separating Electrophilicity and Lewis Acidity: The Synthesis, Characterization, and Electrochemistry of the Electron Deficient Tris(aryl)boranes B(C6F5)3-n(C6Cl5)n (n= 1-3)","Journal of the American Chemical Society","2011","133","","14727","14740","10.1021/ja205037t","","","0.71073","MoKα","","0.0593","0.0407","","0.1251","0.1011","0.1251","","","","","","0.9498","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106773","11.164","0.002","9.4753","0.0018","23.56","0.005","90","","97.016","0.003","90","","2473.6","0.8","113","2","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H54 N2 O8 -","- C62 H54 N2 O8 -","- C124 H108 N4 O16 -","2","0.5","","Mikihiro Hayashi; Fumiyuki Toshimitsu; Ryota Sakamoto; Hiroshi Nishihara","Double Lactonization in Triarylamine-Conjugated Dimethyl Diethynylfumarate: Formation of Intensely Colored and Luminescent Quadrupolar Molecules Including a Missing Structural Isomer of Pechmann Dyes","Journal of the American Chemical Society","2011","133","","14518","14521","10.1021/ja2054176","","x-ray","0.71073","MoKα","","","0.0541","","","","0.1339","","","","","","1.111","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106774","12.985","0.004","10.427","0.003","14.899","0.004","90","","109.883","0.003","90","","1897","0.9","113","2","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 N2 O8 -","- C48 H38 N2 O8 -","- C96 H76 N4 O16 -","2","0.5","","Mikihiro Hayashi; Fumiyuki Toshimitsu; Ryota Sakamoto; Hiroshi Nishihara","Double Lactonization in Triarylamine-Conjugated Dimethyl Diethynylfumarate: Formation of Intensely Colored and Luminescent Quadrupolar Molecules Including a Missing Structural Isomer of Pechmann Dyes","Journal of the American Chemical Society","2011","133","","14518","14521","10.1021/ja2054176","","x-ray","0.7107","MoKα","","","0.0814","","","","0.1811","","","","","","1.148","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106775","12.93","0.004","10.396","0.003","14.846","0.005","90","","109.689","0.003","90","","1878.9","1","113","2","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 N2 O8 -","- C48 H38 N2 O8 -","- C96 H76 N4 O16 -","2","0.5","","Mikihiro Hayashi; Fumiyuki Toshimitsu; Ryota Sakamoto; Hiroshi Nishihara","Double Lactonization in Triarylamine-Conjugated Dimethyl Diethynylfumarate: Formation of Intensely Colored and Luminescent Quadrupolar Molecules Including a Missing Structural Isomer of Pechmann Dyes","Journal of the American Chemical Society","2011","133","","14518","14521","10.1021/ja2054176","","x-ray","0.7107","MoKα","","","0.0862","","","","0.247","","","","","","1.106","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106776","25.5177","0.0009","25.5177","","6.9661","0.0004","90","","90","","120","","3928.3","0.3","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Fe O6.96 -","- C4 H Fe O6.976 -","- C72 H18 Fe18 O125.568 -","18","1","","Eric D. Bloch; Leslie J. Murray; Wendy L. Queen; Sachin Chavan; Sergey N. Maximoff; Julian P. Bigi; Rajamani Krishna; Vanessa K. Peterson; Fernande Grandjean; Gary J. Long; Berend Smit; Silvia Bordiga; Craig M. Brown; Jeffrey R. Long","Selective Binding of O2 over N2 in a Redox-Active Metal-Organic Framework with Open Iron(II) Coordination Sites","Journal of the American Chemical Society","2011","133","","14814","14822","10.1021/ja205976v","powder diffraction","","","","","","","","","","","","","0.98","","","","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106777","26.0087","0.0013","26.0087","","6.8131","0.0007","90","","90","","120","","3991.3","0.5","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Fe O3.92 -","- C4 H Fe O3.92 -","- C72 H18 Fe18 O70.56 -","18","1","","Eric D. Bloch; Leslie J. Murray; Wendy L. Queen; Sachin Chavan; Sergey N. Maximoff; Julian P. Bigi; Rajamani Krishna; Vanessa K. Peterson; Fernande Grandjean; Gary J. Long; Berend Smit; Silvia Bordiga; Craig M. Brown; Jeffrey R. Long","Selective Binding of O2 over N2 in a Redox-Active Metal-Organic Framework with Open Iron(II) Coordination Sites","Journal of the American Chemical Society","2011","133","","14814","14822","10.1021/ja205976v","powder diffraction","","","","","","","","","","","","","1.01","","","","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106778","26.1627","0.0021","26.1627","","6.8422","0.0007","90","","90","","120","","4055.9","0.5","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Fe O3 -","- C4 H Fe O3 -","- C72 H18 Fe18 O54 -","18","1","","Eric D. Bloch; Leslie J. Murray; Wendy L. Queen; Sachin Chavan; Sergey N. Maximoff; Julian P. Bigi; Rajamani Krishna; Vanessa K. Peterson; Fernande Grandjean; Gary J. Long; Berend Smit; Silvia Bordiga; Craig M. Brown; Jeffrey R. Long","Selective Binding of O2 over N2 in a Redox-Active Metal-Organic Framework with Open Iron(II) Coordination Sites","Journal of the American Chemical Society","2011","133","","14814","14822","10.1021/ja205976v","powder diffraction","","","","","","","","","","","","","1.02","","","","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106779","6.5424","0.0014","14.242","0.003","17.525","0.003","90","","97.186","0.005","90","","1620.1","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H37 Cl2 N5 O4 -","- C34 H37 Cl2 N5 O4 -","- C68 H74 Cl4 N10 O8 -","2","1","","Chandra Kanta De; Daniel Seidel","Catalytic Enantioselective Desymmetrization ofmeso-Diamines: A Dual Small-Molecule Catalysis Approach","Journal of the American Chemical Society","2011","133","","14538","14541","10.1021/ja2060462","","","0.71073","MoKα","","0.0843","0.0572","","","0.1071","0.1152","","","","","","1.003","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106780","12.113","0.003","19.347","0.004","11.825","0.003","90","","95.49","0.03","90","","2758.5","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound X","","","- C32 H21 N2 O7 S2 -","- C32 H21 N2 O7 S2 -","- C128 H84 N8 O28 S8 -","4","1","","Jarkko T. Koivunen; Liisa Nissinen; Jarmo Käpylä; Johanna Jokinen; Marjo Pihlavisto; Anne Marjamäki; Jyrki Heino; Juhani Huuskonen; Olli T. Pentikäinen","Fluorescent Small Molecule Probe to Modulate and Explore α2β1 Integrin Function","Journal of the American Chemical Society","2011","133","","14558","14561","10.1021/ja206086c","","","1.54178","CuKα","","0.0675","0.047","","","0.1153","0.1266","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106781","10.312","0.002","31.026","0.006","8.404","0.0017","90","","95.68","0.03","90","","2675.6","0.9","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound X","","","- C32 H20 N2 O6 S2 -","- C32 H20 N2 O6 S2 -","- C128 H80 N8 O24 S8 -","4","1","","Jarkko T. Koivunen; Liisa Nissinen; Jarmo Käpylä; Johanna Jokinen; Marjo Pihlavisto; Anne Marjamäki; Jyrki Heino; Juhani Huuskonen; Olli T. Pentikäinen","Fluorescent Small Molecule Probe to Modulate and Explore α2β1 Integrin Function","Journal of the American Chemical Society","2011","133","","14558","14561","10.1021/ja206086c","","","0.71073","MoKα","","0.1045","0.0603","","","0.0984","0.1137","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106782","12.1975","0.0004","12.7938","0.0004","18.1555","0.0005","83.93","0.001","74.371","0.001","83.488","0.001","2702.47","0.14","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H55 B F20 Si5 Sn -","- C46 H55 B F20 Si5 Sn -","- C92 H110 B2 F40 Si10 Sn2 -","2","1","","Annemarie Schäfer; Wolfgang Saak; Detlev Haase; Thomas Müller","Persistent Dialkyl(silyl)stannylium Ions","Journal of the American Chemical Society","2011","133","","14562","14565","10.1021/ja206338u","","","0.71073","MoKα","","0.0429","0.0308","","","0.0739","0.0833","","","","","","1.067","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106783","15.8702","0.0004","21.1514","0.0005","18.8102","0.0005","90","","108.489","0.001","90","","5988.2","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52.5 H65 B F20 Si5 Sn -","- C52.5 H65 B F20 Si5 Sn -","- C210 H260 B4 F80 Si20 Sn4 -","4","1","","Annemarie Schäfer; Wolfgang Saak; Detlev Haase; Thomas Müller","Persistent Dialkyl(silyl)stannylium Ions","Journal of the American Chemical Society","2011","133","","14562","14565","10.1021/ja206338u","","","0.71073","MoKα","","0.0393","0.0275","","","0.0682","0.079","","","","","","1.116","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106784","16.76313","0.00009","16.76313","","16.76313","","90","","90","","90","","4710.48","0.03","298","","","","","","","","","","","3","F d -3 :2","-F 2uv 2vw 3","203","","","","- D15 Ga5 Rb8 -","- D15 Ga5 Rb8 -","- D120 Ga40 Rb64 -","8","0.0833333","","Henrik Fahlquist; Dag Noréus; Samantha Callear; William I. F. David; Björn C. Hauback","Two New Cluster Ions, Ga[GaH3]45- with a Neopentane Structure in Rb8Ga5H15 and [GaH2]nn- with a Polyethylene Structure in Rbn(GaH2)n, Represent a New Class of Compounds with Direct Ga-Ga Bonds Mimicking Common Hydrocarbons","Journal of the American Chemical Society","2011","133","","14574","14577","10.1021/ja2067687","powder diffraction","","","","","","","","","","","","","2.78","","","","","","","has coordinates,has Fobs","178813","2020-10-21","18:00:00",""
"4106785","6.02553","0.00009","6.02553","","6.02553","","90","","90","","90","","218.769","0.003","298","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- D Rb -","- D Rb -","- D4 Rb4 -","4","0.0208333","","Henrik Fahlquist; Dag Noréus; Samantha Callear; William I. F. David; Björn C. Hauback","Two New Cluster Ions, Ga[GaH3]45- with a Neopentane Structure in Rb8Ga5H15 and [GaH2]nn- with a Polyethylene Structure in Rbn(GaH2)n, Represent a New Class of Compounds with Direct Ga-Ga Bonds Mimicking Common Hydrocarbons","Journal of the American Chemical Society","2011","133","","14574","14577","10.1021/ja2067687","powder diffraction","","","","","","","","","","","","","2.78","","","","","","","has coordinates,has Fobs","178813","2020-10-21","18:00:00",""
"4106786","7.4536","0.0004","4.4838","0.0002","9.5466","0.0004","90","","90","","90","","319.05","0.03","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- D2 Ga Rb -","- D2 Ga Rb -","- D8 Ga4 Rb4 -","4","0.5","","Henrik Fahlquist; Dag Noréus; Samantha Callear; William I. F. David; Björn C. Hauback","Two New Cluster Ions, Ga[GaH3]45- with a Neopentane Structure in Rb8Ga5H15 and [GaH2]nn- with a Polyethylene Structure in Rbn(GaH2)n, Represent a New Class of Compounds with Direct Ga-Ga Bonds Mimicking Common Hydrocarbons","Journal of the American Chemical Society","2011","133","","14574","14577","10.1021/ja2067687","powder diffraction","neutron","1.5556","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.7348","","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4106787","11.4229","0.0004","11.4229","0.0004","14.1312","0.0005","90","","90","","120","","1596.84","0.1","100","2","100","2","","","","","","","","4","P 31","P 31","144","","","","- C25 H27 N3 S -","- C25 H27 N3 S -","- C75 H81 N9 S3 -","3","1","","Noah Z. Burns; Michael R. Witten; Eric N. Jacobsen","Dual Catalysis in Enantioselective Oxidopyrylium-Based [5 + 2] Cycloadditions","Journal of the American Chemical Society","2011","133","","14578","14581","10.1021/ja206997e","","","1.54178","CuKα","","0.0902","0.0898","","","0.1773","0.1776","","","","","","1.019","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106788","6.9456","0.0003","6.6693","0.0003","16.2697","0.0007","90","","95.464","0.002","90","","750.23","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 Br O3 -","- C17 H17 Br O3 -","- C34 H34 Br2 O6 -","2","1","","Noah Z. Burns; Michael R. Witten; Eric N. Jacobsen","Dual Catalysis in Enantioselective Oxidopyrylium-Based [5 + 2] Cycloadditions","Journal of the American Chemical Society","2011","133","","14578","14581","10.1021/ja206997e","","","0.71073","MoKα","","0.0214","0.0195","","","0.0455","0.046","","","","","","1.083","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106789","29.9461","0.0007","5.0733","0.0001","15.3388","0.0004","90","","90.381","0.002","90","","2330.3","0.09","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H21 F6 N O2 -","- C21 H21 F6 N O2 -","- C84 H84 F24 N4 O8 -","4","1","","Noah Z. Burns; Michael R. Witten; Eric N. Jacobsen","Dual Catalysis in Enantioselective Oxidopyrylium-Based [5 + 2] Cycloadditions","Journal of the American Chemical Society","2011","133","","14578","14581","10.1021/ja206997e","","","1.54178","CuKα","","0.0355","0.0345","","","0.0932","0.0939","","","","","","1.093","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106790","7.2085","0.0001","7.8988","0.0001","13.8528","0.0002","90","","90","","90","","788.758","0.019","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","1","","Noah Z. Burns; Michael R. Witten; Eric N. Jacobsen","Dual Catalysis in Enantioselective Oxidopyrylium-Based [5 + 2] Cycloadditions","Journal of the American Chemical Society","2011","133","","14578","14581","10.1021/ja206997e","","","1.54178","CuKα","","0.0287","0.0285","","","0.0728","0.0731","","","","","","1.145","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106791","10.7492","0.0005","11.2308","0.0006","20.7876","0.0011","93.048","0.003","103.754","0.003","100.868","0.003","2381.2","0.2","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H75 Co N3 O2 P3 Zr -","- C46 H75 Co N3 O2 P3 Zr -","- C92 H150 Co2 N6 O4 P6 Zr2 -","2","1","","Jeremy P. Krogman; Bruce M. Foxman; Christine M. Thomas","Activation of CO2 by a Heterobimetallic Zr/Co Complex","Journal of the American Chemical Society","2011","133","","14582","14585","10.1021/ja2071847","","","0.71073","MoKα","","0.0681","0.0482","","0.1147","0.1063","0.1147","","","","","","1.0015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106792","12.6585","0.0003","19.2534","0.0005","25.0678","0.0005","90.043","0.001","92.524","0.001","91.204","0.001","6102.2","0.2","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C58 H99 Co N3 Na O5 P3 Zr -","- C58 H99 Co N3 Na O5 P3 Zr -","- C232 H396 Co4 N12 Na4 O20 P12 Zr4 -","4","2","","Jeremy P. Krogman; Bruce M. Foxman; Christine M. Thomas","Activation of CO2 by a Heterobimetallic Zr/Co Complex","Journal of the American Chemical Society","2011","133","","14582","14585","10.1021/ja2071847","","","0.71073","MoKα","","0.104","0.0489","","0.1221","0.1039","0.1221","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106793","14.37","0.0005","24.6113","0.0008","20.1119","0.0007","90","","90.003","0.002","90","","7112.9","0.4","120","","120","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C67 H115 Co N3 Na2 O9 P3 Zr -","- C67 H115 Co N3 Na2 O9 P3 Zr -","- C268 H460 Co4 N12 Na8 O36 P12 Zr4 -","4","1","","Jeremy P. Krogman; Bruce M. Foxman; Christine M. Thomas","Activation of CO2 by a Heterobimetallic Zr/Co Complex","Journal of the American Chemical Society","2011","133","","14582","14585","10.1021/ja2071847","","","0.71073","MoKα","","0.0552","0.0427","","0.0911","0.0875","0.0911","","","","","","0.9597","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106794","18.5044","0.0009","12.2107","0.0006","24.3932","0.0013","90","","94.917","0.003","90","","5491.4","0.5","120","","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H83 Co N3 O2 P3 Si Zr -","- C52 H83 Co N3 O2 P3 Si Zr -","- C208 H332 Co4 N12 O8 P12 Si4 Zr4 -","4","1","","Jeremy P. Krogman; Bruce M. Foxman; Christine M. Thomas","Activation of CO2 by a Heterobimetallic Zr/Co Complex","Journal of the American Chemical Society","2011","133","","14582","14585","10.1021/ja2071847","","","0.71073","MoKα","","0.0345","0.027","","0.0761","0.069","0.0761","","","","","","0.9985","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106795","8.7268","0.001","18.294","0.002","20.348","0.002","90","","90","","90","","3248.5","0.6","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C40 H26 Cd I2 N8 -","- C40 H26 Cd I2 N8 -","- C80 H52 Cd2 I4 N16 -","2","0.25","","Lucas D. DeVries; Paul M. Barron; Evan P. Hurley; Chunhua Hu; Wonyoung Choe","""Nanoscale Lattice Fence"" in a Metal-Organic Framework: Interplay between Hinged Topology and Highly Anisotropic Thermal Response","Journal of the American Chemical Society","2011","133","","14848","14851","10.1021/ja2032822","","","0.71073","MoKα","","0.05","0.0425","","","0.1203","0.1248","","","","","","1.044","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106796","8.8045","0.0006","18.2945","0.0013","20.364","0.0015","90","","90","","90","","3280.1","0.4","200","2","200","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C40 H26 Cd I2 N8 -","- C40 H26 Cd I2 N8 -","- C80 H52 Cd2 I4 N16 -","2","0.25","","Lucas D. DeVries; Paul M. Barron; Evan P. Hurley; Chunhua Hu; Wonyoung Choe","""Nanoscale Lattice Fence"" in a Metal-Organic Framework: Interplay between Hinged Topology and Highly Anisotropic Thermal Response","Journal of the American Chemical Society","2011","133","","14848","14851","10.1021/ja2032822","","","0.71073","MoKα","","0.0636","0.0476","","","0.1273","0.1347","","","","","","1.011","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106797","8.9939","0.0017","18.27","0.004","20.38","0.004","90","","90","","90","","3348.8","1.2","297","2","297","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C40 H26 Cd I2 N8 -","- C40 H26 Cd I2 N8 -","- C80 H52 Cd2 I4 N16 -","2","0.25","","Lucas D. DeVries; Paul M. Barron; Evan P. Hurley; Chunhua Hu; Wonyoung Choe","""Nanoscale Lattice Fence"" in a Metal-Organic Framework: Interplay between Hinged Topology and Highly Anisotropic Thermal Response","Journal of the American Chemical Society","2011","133","","14848","14851","10.1021/ja2032822","","","0.71073","MoKα","","0.0622","0.0453","","","0.124","0.1305","","","","","","1.034","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106798","64.17","0.04","4.975","0.003","7.285","0.004","90","","94.782","0.007","90","","2318","2","100","2","100","2","","","101.3","","","","","4","C 1 2 1","C 2y","5","","18-(pentylamino)octadecan-7-ol","","- C23 H49 N O -","- C23 H48 N O -","- C92 H192 N4 O4 -","4","1","","V. Ajay Mallia; Paul D. Butler; Bijay Sarkar; K. Travis Holman; Richard G. Weiss","Reversible Phase Transitions within Self-Assembled Fibrillar Networks of (R)-18-(n-Alkylamino)octadecan-7-ols in Their Carbon Tetrachloride Gels","Journal of the American Chemical Society","2011","133","","15045","15054","10.1021/ja204371b","","x-ray","0.71073","MoKα","","0.1579","0.1203","","","0.356","0.3765","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106799","13.6619","0.0009","13.8526","0.001","18.2493","0.0012","67.742","0.001","82.738","0.001","81.48","0.002","3151.8","0.4","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C138 H120 N16 O16 Ru4 -","- C134.43 H120 N16 O16 Ru4 -","- C134.43 H120 N16 O16 Ru4 -","1","0.5","","Bin Xi; Isiah P.-C. Liu; Guo-Lin Xu; Mohommad M. R. Choudhuri; Maria C. DeRosa; Robert J. Crutchley; Tong Ren","Modulation of Electronic Couplings within Ru2-Polyyne Frameworks","Journal of the American Chemical Society","2011","133","","15094","15104","10.1021/ja204813h","","","0.71073","MoKα","","0.1119","0.0592","","","0.1487","0.1684","","","","","","1.008","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106800","16.2323","0.0016","35.319","0.004","19.3815","0.0019","90","","95.983","0.002","90","","11051","2","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C116 H108 N20 O6 Ru4 -","- C112.88 H72 N20 O5.22 Ru4 -","- C451.52 H288 N80 O20.88 Ru16 -","4","0.5","","Bin Xi; Isiah P.-C. Liu; Guo-Lin Xu; Mohommad M. R. Choudhuri; Maria C. DeRosa; Robert J. Crutchley; Tong Ren","Modulation of Electronic Couplings within Ru2-Polyyne Frameworks","Journal of the American Chemical Society","2011","133","","15094","15104","10.1021/ja204813h","","","0.71073","MoKα","","0.1024","0.0539","","","0.1453","0.172","","","","","","1.012","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106801","18.7179","0.0008","22.1686","0.0014","22.2364","0.0014","114.086","0.003","98.165","0.002","101.781","0.002","7979.7","0.8","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C151 H150 Co2 N16 O23 P2 Ru4 -","- C151 H150 Co2 N16 O23 P2 Ru4 -","- C302 H300 Co4 N32 O46 P4 Ru8 -","2","1","","Bin Xi; Isiah P.-C. Liu; Guo-Lin Xu; Mohommad M. R. Choudhuri; Maria C. DeRosa; Robert J. Crutchley; Tong Ren","Modulation of Electronic Couplings within Ru2-Polyyne Frameworks","Journal of the American Chemical Society","2011","133","","15094","15104","10.1021/ja204813h","","","0.71073","MO-Kα","","0.093","0.069","","","0.124","0.131","","","","","","1.104","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106802","9.1762","0.0003","11.7369","0.0004","9.834","0.0003","90","","90","","90","","1059.12","0.06","298","","298","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C3 H9 La N O9 P3 -","- C3 H9 La N O9 P3 -","- C12 H36 La4 N4 O36 P12 -","4","1","","Patrícia Silva; Fabiana Vieira; Ana C. Gomes; Duarte Ananias; José A. Fernandes; Sofia M. Bruno; Rosário Soares; Anabela A. Valente; João Rocha; Filipe A. Almeida Paz","Thermal Transformation of a Layered Multifunctional Network into a Metal-Organic Framework Based on a Polymeric Organic Linker","Journal of the American Chemical Society","2011","133","","15120","15138","10.1021/ja205243w","powder diffraction","","","X-ray","","","","","","","","","9.5848","","","","","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106803","9.766","0.0006","11.3438","0.0003","8.7307","0.0005","90","","90","","90","","967.22","0.09","298","","298","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C3 H7 La N O8 P3 -","- C3 H7 La N O8 P3 -","- C12 H28 La4 N4 O32 P12 -","4","1","","Patrícia Silva; Fabiana Vieira; Ana C. Gomes; Duarte Ananias; José A. Fernandes; Sofia M. Bruno; Rosário Soares; Anabela A. Valente; João Rocha; Filipe A. Almeida Paz","Thermal Transformation of a Layered Multifunctional Network into a Metal-Organic Framework Based on a Polymeric Organic Linker","Journal of the American Chemical Society","2011","133","","15120","15138","10.1021/ja205243w","powder diffraction","","","X-ray","","","","","","","","","7.8962","","","","","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106804","8.7247","0.0005","11.3493","0.0003","9.7728","0.0006","90","","90","","90","","967.7","0.09","298","","298","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C3 H7 La N O8 P3 -","- C3 H7 La N O8 P3 -","- C12 H28 La4 N4 O32 P12 -","4","1","","Patrícia Silva; Fabiana Vieira; Ana C. Gomes; Duarte Ananias; José A. Fernandes; Sofia M. Bruno; Rosário Soares; Anabela A. Valente; João Rocha; Filipe A. Almeida Paz","Thermal Transformation of a Layered Multifunctional Network into a Metal-Organic Framework Based on a Polymeric Organic Linker","Journal of the American Chemical Society","2011","133","","15120","15138","10.1021/ja205243w","powder diffraction","","","X-ray","","","","","","","","","6.9277","","","","","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106805","24.9834","0.0013","24.9834","0.0013","24.9834","0.0013","90","","90","","90","","15593.9","1.4","90","2","90","2","","","","","","","","5","F 41 3 2","F 4d 2 3","210","","","","- C72 H90 N12 O13 Os2.5 -","- C72 H84 N12 O13.242 Os2.562 -","- C576 H672 N96 O105.936 Os20.496 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.6889","","","0.0752","0.0723","","","0.1779","0.1797","","","","","","1.146","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106806","24.7706","0.0005","24.7706","0.0005","24.7706","0.0005","90","","90","","90","","15198.8","0.5","100","2","100","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I4.5 N12 -","- C72 H84 I4.432 N12 -","- C576 H672 I35.456 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.1012","0.098","","","0.2605","0.2628","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106807","24.9725","0.0012","24.9725","0.0012","24.9725","0.0012","90","","90","","90","","15573.5","1.3","298","2","298","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I4.5 N12 -","- C72 H84 I4.544 N12 -","- C576 H672 I36.352 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.0789","0.0688","","","0.2027","0.2136","","","","","","1.115","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106808","24.9673","0.0018","24.9673","0.0018","24.9673","0.0018","90","","90","","90","","15563.8","1.9","318","2","318","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I4.5 N12 -","- C72 H84 I4.46 N12 -","- C576 H672 I35.68 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.0956","0.0682","","","0.1932","0.2179","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106809","24.992","0.003","24.992","0.003","24.992","0.003","90","","90","","90","","15610","3","338","2","338","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I4 N12 -","- C72 H84 I4.088 N12 -","- C576 H672 I32.704 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.0971","0.0691","","","0.1994","0.2226","","","","","","1.115","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106810","24.898","0.003","24.898","0.003","24.898","0.003","90","","90","","90","","15435","3","358","2","358","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I2 N12 -","- C72 H84 I2.146 N12 -","- C576 H672 I17.168 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.1362","0.0877","","","0.24","0.2649","","","","","","1.247","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106811","24.893","0.003","24.893","0.003","24.893","0.003","90","","90","","90","","15425","3","358","2","358","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I1.5 N12 -","- C72 H84 I1.4296 N12 -","- C576 H672 I11.4368 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.1386","0.0889","","","0.2229","0.25","","","","","","1.211","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106812","24.89","0.003","24.89","0.003","24.89","0.003","90","","90","","90","","15420","3","358","2","358","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I1.2 N12 -","- C72 H84 I1.2092 N12 -","- C576 H672 I9.6736 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.1486","0.0943","","","0.224","0.2474","","","","","","1.324","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106813","24.933","0.003","24.933","0.003","24.933","0.003","90","","90","","90","","15500","3","358","2","358","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I N12 -","- C72 H84 I1.0088 N12 -","- C576 H672 I8.0704 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.1479","0.1046","","","0.2549","0.2733","","","","","","1.621","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106814","24.876","0.005","24.876","0.005","24.876","0.005","90","","90","","90","","15394","5","358","2","358","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I0.9 N12 -","- C72 H84 I0.914 N12 -","- C576 H672 I7.312 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.17","0.1153","","","0.278","0.2978","","","","","","1.624","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106815","24.914","0.003","24.914","0.003","24.914","0.003","90","","90","","90","","15464","3","358","2","358","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I3 N12 -","- C72 H84 I3.038 N12 -","- C576 H672 I24.304 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.1182","0.0818","","","0.2251","0.2515","","","","","","1.148","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106816","16.0358","0.0008","8.2776","0.0005","15.5407","0.0009","90","","107.358","0.003","90","","1968.9","0.19","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N O3 Si -","- C20 H27 N O3 Si -","- C80 H108 N4 O12 Si4 -","4","1","","Erik M. Stang; M. Christina White","Molecular Complexity via C-H Activation: A Dehydrogenative Diels-Alder Reaction","Journal of the American Chemical Society","2011","133","","14892","14895","10.1021/ja2059704","","","0.71073","MoKα","","0.0527","0.0387","","","0.0951","0.1031","","","","","","1.032","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106817","7.7991","0.0006","12.1515","0.001","21.4998","0.0016","76.317","0.004","89.53","0.005","72.349","0.004","1882.1","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 N2 O4 -","- C23 H18 N2 O4 -","- C92 H72 N8 O16 -","4","2","","Erik M. Stang; M. Christina White","Molecular Complexity via C-H Activation: A Dehydrogenative Diels-Alder Reaction","Journal of the American Chemical Society","2011","133","","14892","14895","10.1021/ja2059704","","","0.71073","MoKα","","0.0814","0.044","","","0.0915","0.1059","","","","","","1.013","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106818","10.4545","0.0008","13.0186","0.001","15.239","0.0013","88.953","0.005","75.935","0.005","86.647","0.005","2008.4","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H29 N O5 -","- C22 H29 N O5 -","- C88 H116 N4 O20 -","4","2","","Erik M. Stang; M. Christina White","Molecular Complexity via C-H Activation: A Dehydrogenative Diels-Alder Reaction","Journal of the American Chemical Society","2011","133","","14892","14895","10.1021/ja2059704","","","0.71073","MoKα","","0.1097","0.0505","","","0.0968","0.1165","","","","","","1.01","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106819","11.9158","0.0009","12.1881","0.0009","14.9957","0.001","87.464","0.003","83.542","0.003","69.604","0.002","2028.3","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H57 Ni O4 P -","- C48 H57 Ni O4 P -","- C96 H114 Ni2 O8 P2 -","2","1","","Masato Ohashi; Tomoaki Taniguchi; Sensuke Ogoshi","Nickel-Catalyzed Formation of Cyclopentenone Derivatives via the Unique Cycloaddition of α,β-Unsaturated Phenyl Esters with Alkynes","Journal of the American Chemical Society","2011","133","","14900","14903","10.1021/ja2059999","","","0.71075","MoKα","","0.1309","0.0716","","","0.1521","0.2415","","","","","","1.185","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106820","13.9259","0.0012","18.0957","0.0014","18.4593","0.0017","90","","90.15","0.003","90","","4651.7","0.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H78 Ni O2 P2 -","- C51 H78 Ni O2 P2 -","- C204 H312 Ni4 O8 P8 -","4","1","","Masato Ohashi; Tomoaki Taniguchi; Sensuke Ogoshi","Nickel-Catalyzed Formation of Cyclopentenone Derivatives via the Unique Cycloaddition of α,β-Unsaturated Phenyl Esters with Alkynes","Journal of the American Chemical Society","2011","133","","14900","14903","10.1021/ja2059999","","","0.71075","MoKα","","0.084","0.061","","","0.1309","0.1438","","","","","","1.032","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106821","15.246","0.005","18.113","0.006","15.847","0.005","90","","98.388","0.007","90","","4329","2","158","2","158","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tlg-1-178","","","- C48 H60 N3 Nb O -","- C48 H60 N3 Nb O -","- C192 H240 N12 Nb4 O4 -","4","1","","Thomas L. Gianetti; Neil C. Tomson; John Arnold; Robert G. Bergman","Z-Selective, Catalytic Internal Alkyne Semihydrogenation under H2/CO Mixtures by a Niobium(III) Imido Complex","Journal of the American Chemical Society","2011","133","","14904","14907","10.1021/ja206016s","","","0.71073","MoKα","","0.0598","0.0385","","","0.0748","0.0837","","","","","","1.047","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106822","12.702","0.003","17.67","0.004","20.776","0.005","90","","100.094","0.003","90","","4590.9","1.9","154","2","154","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tlgxr20","","","- C47 H67 N4 Nb -","- C47 H67 N4 Nb -","- C188 H268 N16 Nb4 -","4","1","","Thomas L. Gianetti; Neil C. Tomson; John Arnold; Robert G. Bergman","Z-Selective, Catalytic Internal Alkyne Semihydrogenation under H2/CO Mixtures by a Niobium(III) Imido Complex","Journal of the American Chemical Society","2011","133","","14904","14907","10.1021/ja206016s","","","0.71073","MoKα","","0.0449","0.0319","","","0.076","0.0839","","","","","","1.062","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106823","17.4255","0.0007","23.6328","0.001","21.2105","0.0009","90","","98.0275","0.0012","90","","8649.2","0.6","123","","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49.5 H41 B2 F8 N4.5 O Pd2 -","- C49.5 H35 B2 F8 N4.5 O Pd2 -","- C396 H280 B16 F64 N36 O8 Pd16 -","8","2","","Tetsuro Murahashi; Kohei Takase; Masa-aki Oka; Sensuke Ogoshi","Oxidative Dinuclear Addition of a PdI-PdI Moiety to Arenes: Generation of μ-η3:η3-Arene-PdII2 Species","Journal of the American Chemical Society","2011","133","","14908","14911","10.1021/ja206076u","","","0.71075","MoKα","","","0.0496","","","","0.0571","","","","","","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106824","9.643","0.003","11.957","0.004","13.585","0.004","63.325","0.006","81.36","0.006","69.636","0.005","1312.1","0.7","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 B2 F8 N2 Pd2 -","- C24 H19 B2 F8 N2 Pd2 -","- C48 H38 B4 F16 N4 Pd4 -","2","1","","Tetsuro Murahashi; Kohei Takase; Masa-aki Oka; Sensuke Ogoshi","Oxidative Dinuclear Addition of a PdI-PdI Moiety to Arenes: Generation of μ-η3:η3-Arene-PdII2 Species","Journal of the American Chemical Society","2011","133","","14908","14911","10.1021/ja206076u","","","0.71075","MoKα","","","0.0533","","","","0.0613","","","","","","0.96","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106825","10.2184","0.0007","13.8764","0.001","25.8461","0.0018","89.2379","0.0018","81.8766","0.0019","78.169","0.0019","3550.5","0.4","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C32.5 H32.5 B2 F8 N4.5 O Pd2 -","- C32.5 H28.5 B2 F8 N4.5 O Pd2 -","- C130 H114 B8 F32 N18 O4 Pd8 -","4","2","","Tetsuro Murahashi; Kohei Takase; Masa-aki Oka; Sensuke Ogoshi","Oxidative Dinuclear Addition of a PdI-PdI Moiety to Arenes: Generation of μ-η3:η3-Arene-PdII2 Species","Journal of the American Chemical Society","2011","133","","14908","14911","10.1021/ja206076u","","","0.71075","MoKα","","","0.0599","","","","0.0704","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106826","13.4428","0.0005","24.2164","0.0009","10.8013","0.0005","90","","101.052","0.001","90","","3451","0.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H30 B2 F8 N4 Pd2 -","- C33.5 H26 B2 F8 N4 Pd2 -","- C134 H104 B8 F32 N16 Pd8 -","4","1","","Tetsuro Murahashi; Kohei Takase; Masa-aki Oka; Sensuke Ogoshi","Oxidative Dinuclear Addition of a PdI-PdI Moiety to Arenes: Generation of μ-η3:η3-Arene-PdII2 Species","Journal of the American Chemical Society","2011","133","","14908","14911","10.1021/ja206076u","","","0.71075","MoKα","","","0.0455","","","","0.0607","","","","","","1.362","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106827","6.8494","0.0003","17.1089","0.0007","10.04","0.0004","90","","90.747","0.002","90","","1176.44","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H12 N2 O6 S -","- C11 H12 N2 O6 S -","- C44 H48 N8 O24 S4 -","4","2","","Dongwon Shin; Renatus W. Sinkeldam; Yitzhak Tor","Emissive RNA Alphabet","Journal of the American Chemical Society","2011","133","","14912","14915","10.1021/ja206095a","","","1.54178","CuKα","","0.0312","0.0301","","","0.0773","0.0781","","","","","","1.047","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106828","4.9662","0.0003","17.4493","0.0009","17.4476","0.0012","90","","97.765","0.005","90","","1498.09","0.16","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 N4 O5 S -","- C14 H18 N4 O5 S -","- C56 H72 N16 O20 S4 -","4","2","","Dongwon Shin; Renatus W. Sinkeldam; Yitzhak Tor","Emissive RNA Alphabet","Journal of the American Chemical Society","2011","133","","14912","14915","10.1021/ja206095a","","","1.54184","CuKα","","0.0511","0.0433","","","0.1045","0.1096","","","","","","1.028","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106829","6.9963","0.0005","10.6835","0.0007","16.5458","0.001","90","","90","","90","","1236.72","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N3 O6 S -","- C11 H15 N3 O6 S -","- C44 H60 N12 O24 S4 -","4","1","","Dongwon Shin; Renatus W. Sinkeldam; Yitzhak Tor","Emissive RNA Alphabet","Journal of the American Chemical Society","2011","133","","14912","14915","10.1021/ja206095a","","","1.54178","CuKα","","0.0307","0.0295","","","0.0784","0.0798","","","","","","1.048","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106830","4.698","0.0002","11.4175","0.0004","22.0983","0.0008","90","","90","","90","","1185.34","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N3 O4 S -","- C11 H13 N3 O4 S -","- C44 H52 N12 O16 S4 -","4","1","","Dongwon Shin; Renatus W. Sinkeldam; Yitzhak Tor","Emissive RNA Alphabet","Journal of the American Chemical Society","2011","133","","14912","14915","10.1021/ja206095a","","","1.54178","CuKα","","0.0313","0.0289","","","0.0731","0.0751","","","","","","1.036","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106831","6.9547","0.0003","14.3426","0.0006","16.3824","0.0007","90","","90","","90","","1634.12","0.12","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 I N O -","- C19 H18 I N O -","- C76 H72 I4 N4 O4 -","4","1","","Stephen G. Newman; Jennifer K. Howell; Norman Nicolaus; Mark Lautens","Palladium-Catalyzed Carbohalogenation: Bromide to Iodide Exchange and Domino Processes","Journal of the American Chemical Society","2011","133","","14916","14919","10.1021/ja206099t","","","0.71073","MoKα","","0.0698","0.0466","","","0.1029","0.1174","","","","","","1.059","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106832","20.0654","0.0002","9.1914","0.0003","12.3656","0.0006","90","","100.57","0.0018","90","","2241.88","0.13","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl I N O5 -","- C22 H22 Cl I N O5 -","- C88 H88 Cl4 I4 N4 O20 -","4","1","","Stephen G. Newman; Jennifer K. Howell; Norman Nicolaus; Mark Lautens","Palladium-Catalyzed Carbohalogenation: Bromide to Iodide Exchange and Domino Processes","Journal of the American Chemical Society","2011","133","","14916","14919","10.1021/ja206099t","","","0.71073","MoKα","","0.0852","0.0434","","","0.1019","0.1255","","","","","","1.025","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106833","12.5278","0.001","12.5278","0.001","12.6511","0.0007","90","","90","","90","","1985.5","0.2","293","2","293","2","","","","","","","synthesis as described","6","P 4 n c","P 4 -2n","104","","","","- C24 H28 Bi2 Cl4 I6 N4 -","- C24 H28 Bi2 Cl4 I6 N4 -","- C48 H56 Bi4 Cl8 I12 N8 -","2","0.25","","Nicolas Leblanc; Nicolas Mercier; Leokadiya Zorina; Sergey Simonov; Pascale Auban-Senzier; Claude Pasquier","Large Spontaneous Polarization and Clear Hysteresis Loop of a Room-Temperature Hybrid Ferroelectric Based on Mixed-Halide [BiI3Cl2] Polar Chains and Methylviologen Dication","Journal of the American Chemical Society","2011","133","","14924","14927","10.1021/ja206171s","","x-ray","0.71073","MoKα","","0.0789","0.0348","","","0.0731","0.084","","","","","","1.029","","","","has coordinates","264242","2021-04-16","08:51:47",""
"4106834","9.6483","0.0005","11.9539","0.0006","8.5468","0.0004","90","","101.684","0.003","90","","965.32","0.08","273","2","273","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H24 Cl5 N3 O -","- C13 H24 Cl5 N3 O -","- C26 H48 Cl10 N6 O2 -","2","1","","Guang-Peng Wu; Sheng-Hsuan Wei; Wei-Min Ren; Xiao-Bing Lu; Tie-Qi Xu; Donald J. Darensbourg","Perfectly Alternating Copolymerization of CO2 and Epichlorohydrin Using Cobalt(III)-Based Catalyst Systems","Journal of the American Chemical Society","2011","133","","15191","15199","10.1021/ja206425j","","","0.71073","MoKα","","0.0393","0.0381","","","0.0988","0.1002","","","","","","1.037","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106835","5.9712","0.0003","11.235","0.0005","16.7877","0.0008","102.99","0.003","98.34","0.003","90.483","0.003","1084.82","0.09","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H28 Cl4 Co0.5 N3 O6 -","- C13 H22 Cl4 Co0.5 N3 O6 -","- C26 H44 Cl8 Co N6 O12 -","2","1","","Guang-Peng Wu; Sheng-Hsuan Wei; Wei-Min Ren; Xiao-Bing Lu; Tie-Qi Xu; Donald J. Darensbourg","Perfectly Alternating Copolymerization of CO2 and Epichlorohydrin Using Cobalt(III)-Based Catalyst Systems","Journal of the American Chemical Society","2011","133","","15191","15199","10.1021/ja206425j","","","0.71073","MoKα","","0.1527","0.1273","","","0.4067","0.4448","","","","","","1.818","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106836","7.8868","0.0004","7.8868","0.0004","5.2243","0.0003","90","","90","","90","","324.96","0.03","293","","293","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca1.023 Ga3 Nd0.977 O7 -","- Ca1.05 Ga3 Nd0.95 O7 -","- Ca2.1 Ga6 Nd1.9 O14 -","2","0.25","","Fengxia Wei; Tom Baikie; Tao An; Martin Schreyer; Christian Kloc; T. J. White","Five-Dimensional Incommensurate Structure of the Melilite Electrolyte [CaNd]2[Ga]2[Ga2O7]2","Journal of the American Chemical Society","2011","133","","15200","15211","10.1021/ja206441x","","","0.71073","MoKα","","0.0299","0.0297","","","0.0425","0.0425","","","","2.54","2.54","2.53","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106837","10.2241","0.0003","7.8813","0.0003","18.7697","0.0006","90","","91.532","0.001","90","","1511.91","0.09","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C14 H12 Cl2 N O3 S -","- C14 H12 Cl2 N O3 S -","- C56 H48 Cl8 N4 O12 S4 -","4","2","","Lennart Lykke; Carles Rodríguez-Escrich; Karl Anker Jørgensen","Catalytic Enantioselective Oxaziridination","Journal of the American Chemical Society","2011","133","","14932","14935","10.1021/ja2064457","","x-ray","0.71073","MoKα","","0.0555","0.041","","","0.0898","0.1044","","","","","","1.047","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106838","11.9335","0.0003","11.9335","0.0003","36.635","0.0009","90","","90","","120","","4518.2","0.2","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C32 H34 N2 O7 S -","- C32 H34 N2 O7 S -","- C192 H204 N12 O42 S6 -","6","1","","Yankai Liu; Manuel Nappi; Elena Arceo; Silvia Vera; Paolo Melchiorre","Asymmetric Catalysis of Diels-Alder Reactions with in Situ Generated Heterocyclic ortho-Quinodimethanes","Journal of the American Chemical Society","2011","133","","15212","15218","10.1021/ja206517s","","","0.71073","MoKα","","0.0418","0.0388","","","0.1024","0.1044","","","","","","1.037","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4106839","15.6585","0.0007","29.8504","0.0013","35.6816","0.0017","90","","90","","90","","16678","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46.5 H43 Br2 Cl N2 O7 -","- C46.5 H43 Br2 Cl N2 O7 -","- C744 H688 Br32 Cl16 N32 O112 -","16","4","","Yankai Liu; Manuel Nappi; Elena Arceo; Silvia Vera; Paolo Melchiorre","Asymmetric Catalysis of Diels-Alder Reactions with in Situ Generated Heterocyclic ortho-Quinodimethanes","Journal of the American Chemical Society","2011","133","","15212","15218","10.1021/ja206517s","","","0.71073","MoKα","","0.1181","0.0839","","","0.1939","0.2113","","","","","","1.06","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4106840","17.3171","0.001","8.9956","0.0007","12.4459","0.0008","90","","110.09","0.001","90","","1820.8","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Hang Shi; Lichao Fang; Ceheng Tan; Lili Shi; Weibin Zhang; Chuang-chuang Li; Tuoping Luo; Zhen Yang","Total Syntheses of Drimane-Type Sesquiterpenoids Enabled by a Gold-Catalyzed Tandem Reaction","Journal of the American Chemical Society","2011","133","","14944","14947","10.1021/ja206837j","","","0.71073","MoKα","","0.0923","0.0455","","","0.1189","0.1684","","","","","","1.153","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106841","8.7244","0.0017","13.188","0.003","15.006","0.003","90","","90","","90","","1726.6","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","","Hang Shi; Lichao Fang; Ceheng Tan; Lili Shi; Weibin Zhang; Chuang-chuang Li; Tuoping Luo; Zhen Yang","Total Syntheses of Drimane-Type Sesquiterpenoids Enabled by a Gold-Catalyzed Tandem Reaction","Journal of the American Chemical Society","2011","133","","14944","14947","10.1021/ja206837j","","","0.71073","MoKα","","0.1046","0.0362","","","0.0556","0.0651","","","","","","0.507","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106842","20.741","0.004","6.7355","0.0013","26.237","0.005","90","","101.57","0.03","90","","3590.9","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H27 N O -","- C22 H27 N O -","- C176 H216 N8 O8 -","8","1","","Hang Shi; Lichao Fang; Ceheng Tan; Lili Shi; Weibin Zhang; Chuang-chuang Li; Tuoping Luo; Zhen Yang","Total Syntheses of Drimane-Type Sesquiterpenoids Enabled by a Gold-Catalyzed Tandem Reaction","Journal of the American Chemical Society","2011","133","","14944","14947","10.1021/ja206837j","","","0.71073","MoKα","","0.156","0.0482","","","0.0936","0.0993","","","","","","1","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106843","7.3622","0.0002","7.3622","0.0002","8.4885","0.0003","90","","90","","120","","398.45","0.02","290","2","290","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Mn N O6 -","- C3 H7.02 Mn N O6 -","- C6 H14.04 Mn2 N2 O12 -","2","0.166667","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0222","0.0202","","","0.0508","0.0512","","","","","","1.132","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106844","12.6685","0.0003","12.6685","0.0003","8.5374","0.0002","90","","90","","120","","1186.61","0.05","110","2","110","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 Mn N O6 -","- C3 H7 Mn N O6 -","- C18 H42 Mn6 N6 O36 -","6","1","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0544","0.0317","","","0.0806","0.0867","","","","","","0.979","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106845","7.3236","0.0002","7.3236","0.0002","8.318","0.0004","90","","90","","120","","386.37","0.02","290","2","290","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Fe N O6 -","- C3 H7.02 Fe N O6 -","- C6 H14.04 Fe2 N2 O12 -","2","0.166667","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0376","0.0232","","","0.0501","0.053","","","","","","1.088","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106846","12.6167","0.0003","12.6167","0.0003","8.3647","0.0002","90","","90","","120","","1153.11","0.05","110","","110","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 Fe N O6 -","- C3 H7 Fe N O6 -","- C18 H42 Fe6 N6 O36 -","6","1","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0444","0.0287","","","0.0799","0.0852","","","","","","1.022","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106847","7.3058","0.0002","7.3058","0.0002","8.1897","0.0004","90","","90","","120","","378.56","0.02","290","2","290","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Co N O6 -","- C3 H7.02 Co N O6 -","- C6 H14.04 Co2 N2 O12 -","2","0.166667","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0265","0.0208","","","0.0464","0.0474","","","","","","1.092","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106848","12.5871","0.0003","12.5871","0.0003","8.2237","0.0002","90","","90","","120","","1128.36","0.05","110","","110","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 Co N O6 -","- C3 H7 Co N O6 -","- C18 H42 Co6 N6 O36 -","6","1","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0624","0.0297","","","0.0768","0.086","","","","","","0.941","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106849","7.2861","0.0013","7.2861","0.0013","8.0207","0.0016","90","","90","","120","","368.75","0.12","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N Ni O6 -","- C3 H7.02 N Ni O6 -","- C6 H14.04 N2 Ni2 O12 -","2","0.166667","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.018","0.0168","","","0.0418","0.0421","","","","","","1.172","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106850","7.3084","0.0002","7.3084","0.0002","8.1705","0.0003","90","","90","","120","","377.94","0.02","290","2","290","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H7.02 N O6 Zn -","- C6 H14.04 N2 O12 Zn2 -","2","0.166667","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.022","0.0191","","","0.0444","0.0453","","","","","","1.08","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106851","12.5919","0.0003","12.5919","0.0003","8.2015","0.0002","90","","90","","120","","1126.18","0.05","110","","110","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 N O6 Zn -","- C3 H7 N O6 Zn -","- C18 H42 N6 O36 Zn6 -","6","1","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0729","0.0306","","","0.076","0.0855","","","","","","0.907","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106852","13.0299","0.0013","18.2188","0.0018","12.7153","0.0011","90","","90","","90","","3018.5","0.5","123","","123","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C31.5 H34 Cl2 N2 O3 Ru S -","- C31.5 H34 Cl2 N2 O3 Ru S -","- C126 H136 Cl8 N8 O12 Ru4 S4 -","4","1","","Taichiro Touge; Tomohiko Hakamata; Hideki Nara; Tohru Kobayashi; Noboru Sayo; Takao Saito; Yoshihito Kayaki; Takao Ikariya","Oxo-Tethered Ruthenium(II) Complex as a Bifunctional Catalyst for Asymmetric Transfer Hydrogenation and H2 Hydrogenation","Journal of the American Chemical Society","2011","133","","14960","14963","10.1021/ja207283t","","","0.71075","MoKα","","","0.0274","","","","0.0738","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106853","12.582","0.003","17.311","0.004","13.987","0.003","90","","99.586","0.003","90","","3003.9","1.2","93","","93","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H36 Cl N2 O2.5 Ru S -","- C32 H35 Cl N2 O2.5 Ru S -","- C128 H140 Cl4 N8 O10 Ru4 S4 -","4","2","","Taichiro Touge; Tomohiko Hakamata; Hideki Nara; Tohru Kobayashi; Noboru Sayo; Takao Saito; Yoshihito Kayaki; Takao Ikariya","Oxo-Tethered Ruthenium(II) Complex as a Bifunctional Catalyst for Asymmetric Transfer Hydrogenation and H2 Hydrogenation","Journal of the American Chemical Society","2011","133","","14960","14963","10.1021/ja207283t","","","0.71075","MoKα","","","0.0411","","","","0.1038","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106854","8.3489","0.0004","7.3054","0.0003","9.9944","0.0005","90","","105.627","0.003","90","","587.05","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H22 O3 -","- C13 H22 O3 -","- C26 H44 O6 -","2","1","","Jacob Y. Cha; John T. S. Yeoman; Sarah E. Reisman","A Concise Total Synthesis of (-)-Maoecrystal Z","Journal of the American Chemical Society","2011","133","","14964","14967","10.1021/ja2073356","","","0.71073","MoKα","","0.0512","0.0408","","","0.0498","0.0504","","","","","","1.709","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106855","8.6244","0.0006","16.3829","0.0011","12.3896","0.0008","90","","110.075","0.001","90","","1644.2","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H50.83 O7.415 Si -","- C32 H50.83 O7.415 Si -","- C64 H101.66 O14.83 Si2 -","2","1","","Kai Liu; Hiyun Kim; Partha Ghosh; Novruz G. Akhmedov; Lawrence J. Williams","Direct Entry to Erythronolides via a Cyclic Bis[Allene]","Journal of the American Chemical Society","2011","133","","14968","14971","10.1021/ja207496p","","","0.71073","MoKα","","0.0638","0.0563","","","0.134","0.1392","","","","","","1.011","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106856","13.319","0.003","16.01","0.002","15.468","0.002","90","","99.281","0.007","90","","3255.2","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H55 N7 O2 Zr -","- C28 H55 N7 O2 Zr -","- C112 H220 N28 O8 Zr4 -","4","1","","David C. Leitch; Rachel H. Platel; Laurel L. Schafer","Mechanistic Elucidation of Intramolecular Aminoalkene Hydroamination Catalyzed by a Tethered Bis(ureate) Complex: Evidence for Proton-Assisted C-N Bond Formation at Zirconium","Journal of the American Chemical Society","2011","133","","15453","15463","10.1021/ja202448b","","","0.71073","MoKα","","0.0734","0.0483","","","0.1008","0.1122","","","","","","1.018","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106857","12.3906","0.0012","12.5842","0.0013","13.3974","0.0014","63.414","0.004","67.651","0.004","65.864","0.004","1654.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 N12 O4 Zr2 -","- C64 H104 N12 O4 Zr2 -","- C64 H104 N12 O4 Zr2 -","1","0.5","","David C. Leitch; Rachel H. Platel; Laurel L. Schafer","Mechanistic Elucidation of Intramolecular Aminoalkene Hydroamination Catalyzed by a Tethered Bis(ureate) Complex: Evidence for Proton-Assisted C-N Bond Formation at Zirconium","Journal of the American Chemical Society","2011","133","","15453","15463","10.1021/ja202448b","","","0.71073","MoKα","","0.0278","0.0246","","","0.0649","0.0679","","","","","","1.086","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106858","13.151","0.005","15.598","0.005","13.856","0.005","90","0.005","95.011","0.005","90","0.005","2831.4","1.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H50 N6 O2 Zr -","- C23 H50 N6 O2 Zr -","- C92 H200 N24 O8 Zr4 -","4","1","","David C. Leitch; Rachel H. Platel; Laurel L. Schafer","Mechanistic Elucidation of Intramolecular Aminoalkene Hydroamination Catalyzed by a Tethered Bis(ureate) Complex: Evidence for Proton-Assisted C-N Bond Formation at Zirconium","Journal of the American Chemical Society","2011","133","","15453","15463","10.1021/ja202448b","","","0.71069","MoKα","","0.0302","0.0228","","","0.0662","0.0803","","","","","","1.213","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106859","11.0282","0.0009","11.7606","0.0009","12.5485","0.0011","73.031","0.003","84.601","0.004","75.168","0.003","1504.5","0.2","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H51 Cl N6 O2 Zr -","- C23 H51 Cl N6 O2 Zr -","- C46 H102 Cl2 N12 O4 Zr2 -","2","1","","David C. Leitch; Rachel H. Platel; Laurel L. Schafer","Mechanistic Elucidation of Intramolecular Aminoalkene Hydroamination Catalyzed by a Tethered Bis(ureate) Complex: Evidence for Proton-Assisted C-N Bond Formation at Zirconium","Journal of the American Chemical Society","2011","133","","15453","15463","10.1021/ja202448b","","","0.71073","MoKα","","0.0384","0.0317","","","0.0794","0.0825","","","","","","1.064","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106860","16.328","0.003","16.328","0.003","10.2112","0.0016","90","","90","","120","","2357.6","0.7","100","2","100","2","","","","","","","","4","P 32","P 32","145","","","","- C35 H42 N2 O5 -","- C34 H38 N2 O4 -","- C102 H114 N6 O12 -","3","1","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Extraordinarily Robust Polyproline Type I Peptoid Helices Generated via the Incorporation of α-Chiral Aromatic N-1-Naphthylethyl Side Chains","Journal of the American Chemical Society","2011","133","","15559","15567","10.1021/ja204755p","","","1.54178","CuKα","","0.0325","0.0314","","","0.0771","0.0776","","","","","","1.108","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106861","7.4496","0.0002","7.5774","0.0002","25.0094","0.0005","90","","90","","90","","1411.75","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Extraordinarily Robust Polyproline Type I Peptoid Helices Generated via the Incorporation of α-Chiral Aromatic N-1-Naphthylethyl Side Chains","Journal of the American Chemical Society","2011","133","","15559","15567","10.1021/ja204755p","","","1.54178","CuKα","","0.0267","0.0263","","","0.0718","0.0722","","","","","","0.984","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106862","9.3769","0.0003","13.6383","0.0004","17.3326","0.0005","90","","100.121","0.002","90","","2182.09","0.11","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H57 N3 O6 -","- C51 H57 N3 O6 -","- C102 H114 N6 O12 -","2","1","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Extraordinarily Robust Polyproline Type I Peptoid Helices Generated via the Incorporation of α-Chiral Aromatic N-1-Naphthylethyl Side Chains","Journal of the American Chemical Society","2011","133","","15559","15567","10.1021/ja204755p","","","1.54178","CuKα","","0.0773","0.0761","","","0.1938","0.1952","","","","","","1.044","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106863","9.5687","0.0004","21.5564","0.0008","13.1776","0.0006","90","","90.693","0.003","90","","2717.9","0.2","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C62 H64 N4 O6 -","- C62 H64 N4 O6 -","- C124 H128 N8 O12 -","2","1","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Extraordinarily Robust Polyproline Type I Peptoid Helices Generated via the Incorporation of α-Chiral Aromatic N-1-Naphthylethyl Side Chains","Journal of the American Chemical Society","2011","133","","15559","15567","10.1021/ja204755p","","","1.54178","CuKα","","0.1237","0.0902","","","0.209","0.2307","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106864","9.6953","0.0014","10.3729","0.0015","30.136","0.004","90","","92.124","0.003","90","","3028.6","0.7","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H35 N O4 S -","- C36 H35 N O4 S -","- C144 H140 N4 O16 S4 -","4","2","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.1309","0.1184","","","0.306","0.3153","","","","","","1.118","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106865","15.2125","0.0011","10.3075","0.0007","16.0267","0.0011","90","","112.207","0.003","90","","2326.6","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N O2 S -","- C26 H31 N O2 S -","- C104 H124 N4 O8 S4 -","4","1","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0544","0.0416","","","0.1102","0.1244","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106866","12.0461","0.001","14.2879","0.0015","33.757","0.003","90","","90","","90","","5810","0.9","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 N O4 S -","- C33 H37 N O4 S -","- C264 H296 N8 O32 S8 -","8","2","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0902","0.0547","","","0.114","0.1414","","","","","","1.008","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106867","9.5737","0.0003","12.7735","0.0004","16.7885","0.0005","90","","90.134","0.001","90","","2053.05","0.11","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H27 N O3 S -","- C22 H27 N O3 S -","- C88 H108 N4 O12 S4 -","4","2","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0482","0.0409","","","0.1012","0.1142","","","","","","1.095","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106868","8.727","0.0004","12.2836","0.0005","31.8909","0.0015","90","","90","","90","","3418.7","0.3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H41 N O4 S -","- C39 H41 N O4 S -","- C156 H164 N4 O16 S4 -","4","1","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0453","0.0399","","","0.0948","0.098","","","","","","1.037","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106869","9.2006","0.0006","17.7065","0.001","9.6157","0.0006","90","","99.191","0.004","90","","1546.39","0.17","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 N O4 S -","- C34 H40 N O4 S -","- C68 H80 N2 O8 S2 -","2","1","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.072","0.0504","","","0.1101","0.1332","","","","","","1.056","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106870","14.5105","0.001","11.6735","0.0007","21.0625","0.0013","90","","115.684","0.004","90","","3215.2","0.4","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 N O4 S2 -","- C37 H39 N O4 S2 -","- C148 H156 N4 O16 S8 -","4","1","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0579","0.0411","","","0.1094","0.1246","","","","","","1.054","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106871","8.2758","0.0007","14.3175","0.0013","19.5838","0.0018","90","","90","","90","","2320.5","0.4","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O2 S -","- C26 H33 N O2 S -","- C104 H132 N4 O8 S4 -","4","1","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.032","0.0288","","","0.0783","0.0867","","","","","","1.168","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106872","22.6739","0.0018","11.2846","0.0009","15.9956","0.0012","90","","91.738","0.003","90","","4090.8","0.6","103","2","103","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C35 H48 Au Cl2 F6 N4 Sb -","- C35 H48 Au Cl2 F6 N4 Sb -","- C140 H192 Au4 Cl8 F24 N16 Sb4 -","4","2","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0805","0.0641","","","0.1606","0.1745","","","","","","1.051","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106873","9.1954","0.0003","11.0169","0.0004","31.9995","0.0014","90","","90","","90","","3241.7","0.2","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H39 N O4 S -","- C38 H39 N O4 S -","- C152 H156 N4 O16 S4 -","4","1","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0866","0.0589","","","0.1215","0.1375","","","","","","1.033","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106874","5.2114","0.001","18.831","0.004","19.186","0.004","90","","90","","90","","1882.8","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Wei Li; Xiaohua Liu; Xiaoyu Hao; Xiaolei Hu; Yangyang Chu; Weidi Cao; Song Qin; Changwei Hu; Lili Lin; Xiaoming Feng","New Electrophilic Addition of α-Diazoesters with Ketones for Enantioselective C-N Bond Formation","Journal of the American Chemical Society","2011","133","","15268","15271","10.1021/ja2056159","","","1.54178","CuKα","","0.0338","0.031","","","0.0723","0.077","","","","","","1.086","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106875","19.671","0.0014","8.748","0.0007","15.9812","0.0011","90","","90","","90","","2750.1","0.4","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H40 N O P Pd -","- C30 H40 N O P Pd -","- C120 H160 N4 O4 P4 Pd4 -","4","1","","Patrick S. Hanley; John F. Hartwig","Intermolecular Migratory Insertion of Unactivated Olefins into Palladium-Nitrogen Bonds. Steric and Electronic Effects on the Rate of Migratory Insertion","Journal of the American Chemical Society","2011","133","","15661","15673","10.1021/ja205722f","","","0.71073","MoKα","","0.0639","0.0387","","","0.0699","0.0773","","","","","","1.009","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106876","21.2843","0.0015","9.3814","0.0007","20.7994","0.0014","90","","94.453","0.003","90","","4140.6","0.5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H59 N O P2 Pd2 -","- C42 H59 N O P2 Pd2 -","- C168 H236 N4 O4 P8 Pd8 -","4","1","","Patrick S. Hanley; John F. Hartwig","Intermolecular Migratory Insertion of Unactivated Olefins into Palladium-Nitrogen Bonds. Steric and Electronic Effects on the Rate of Migratory Insertion","Journal of the American Chemical Society","2011","133","","15661","15673","10.1021/ja205722f","","","0.71073","MoKα","","0.0613","0.0369","","","0.0723","0.0802","","","","","","1.026","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106877","6.0206","0.0001","15.7711","0.0004","21.0506","0.0004","90","","90","","90","","1998.79","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C88 H72 N8 O32 -","8","2","","Xue Xu; Hongjian Lu; Joshua V. Ruppel; Xin Cui; Silke Lopez de Mesa; Lukasz Wojtas; X. Peter Zhang","Highly Asymmetric Intramolecular Cyclopropanation of Acceptor-Substituted Diazoacetates by Co(II)-Based Metalloradical Catalysis: Iterative Approach for Development of New-Generation Catalysts","Journal of the American Chemical Society","2011","133","","15292","15295","10.1021/ja2062506","","","1.54178","CuKα","","0.0407","0.0379","","","0.0914","0.0931","","","","","","1.084","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106878","5.8667","0.0002","8.8242","0.0002","21.4253","0.0005","90","","90","","90","","1109.16","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Xue Xu; Hongjian Lu; Joshua V. Ruppel; Xin Cui; Silke Lopez de Mesa; Lukasz Wojtas; X. Peter Zhang","Highly Asymmetric Intramolecular Cyclopropanation of Acceptor-Substituted Diazoacetates by Co(II)-Based Metalloradical Catalysis: Iterative Approach for Development of New-Generation Catalysts","Journal of the American Chemical Society","2011","133","","15292","15295","10.1021/ja2062506","","","1.54178","CuKα","","0.0336","0.0328","","","0.0886","0.0892","","","","","","1.026","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106879","7.5048","0.0002","5.1061","0.0002","12.4279","0.0004","90","","101.03","0.002","90","","467.44","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N O -","- C11 H13 N O -","- C22 H26 N2 O2 -","2","1","","Xue Xu; Hongjian Lu; Joshua V. Ruppel; Xin Cui; Silke Lopez de Mesa; Lukasz Wojtas; X. Peter Zhang","Highly Asymmetric Intramolecular Cyclopropanation of Acceptor-Substituted Diazoacetates by Co(II)-Based Metalloradical Catalysis: Iterative Approach for Development of New-Generation Catalysts","Journal of the American Chemical Society","2011","133","","15292","15295","10.1021/ja2062506","","","1.54178","CuKα","","0.0299","0.0296","","","0.0757","0.076","","","","","","1.073","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106880","5.7269","0.0003","8.3487","0.0005","35.6555","0.0017","90","","90","","90","","1704.77","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","1","","Xue Xu; Hongjian Lu; Joshua V. Ruppel; Xin Cui; Silke Lopez de Mesa; Lukasz Wojtas; X. Peter Zhang","Highly Asymmetric Intramolecular Cyclopropanation of Acceptor-Substituted Diazoacetates by Co(II)-Based Metalloradical Catalysis: Iterative Approach for Development of New-Generation Catalysts","Journal of the American Chemical Society","2011","133","","15292","15295","10.1021/ja2062506","","","1.54178","CuKα","","0.0525","0.0453","","","0.1052","0.1086","","","","","","1.089","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106881","10.096","0.0003","21.715","0.0009","21.009","0.0009","90","","110.49","0.002","90","","4314.5","0.3","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","BINCF3","","","- C42 H29 Cl3 F6 O5 P2 Rh2 -","- C42 H29 Cl3 F6 O5 P2 Rh2 -","- C168 H116 Cl12 F24 O20 P8 Rh8 -","4","1","","María E. Moragues; Julio Esteban; José Vicente Ros-Lis; Ramón Martínez-Máñez; M. Dolores Marcos; Manuel Martínez; Juan Soto; Félix Sancenón","Sensitive and Selective Chromogenic Sensing of Carbon Monoxide via Reversible Axial CO Coordination in Binuclear Rhodium Complexes","Journal of the American Chemical Society","2011","133","","15762","15772","10.1021/ja206251r","","","0.71073","MoKα","","0.1711","0.0634","","","0.1368","0.2019","","","","","","0.988","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106882","6.1559","0.0008","8.6293","0.0011","27.248","0.003","90","","90","","90","","1447.4","0.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O S -","- C17 H18 O S -","- C68 H72 O4 S4 -","4","1","","Scott E. Denmark; David J. P. Kornfilt; Thomas Vogler","Catalytic Asymmetric Thiofunctionalization of Unactivated Alkenes","Journal of the American Chemical Society","2011","133","","15308","15311","10.1021/ja2064395","","","0.71073","MoKα","","0.0255","0.0248","","","0.0652","0.0656","","","","","","1.022","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106883","19.411","0.002","19.411","0.002","16.0339","0.0012","90","","90","","120","","5232","0.9","200","2","200","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C24 Cr4 Mn2 N8 O53 -","- C24 Cr4 Mn2 N8 O53 -","- C72 Cr12 Mn6 N24 O159 -","3","0.25","","Emilio Pardo; Cyrille Train; Geoffrey Gontard; Kamal Boubekeur; Oscar Fabelo; Hongbo Liu; Brahim Dkhil; Francesc Lloret; Kosuke Nakagawa; Hiroko Tokoro; Shin-ichi Ohkoshi; Michel Verdaguer","High Proton Conduction in a Chiral Ferromagnetic Metal-Organic Quartz-like Framework","Journal of the American Chemical Society","2011","133","","15328","15331","10.1021/ja206917z","","","0.71073","MoKα","","0.0828","0.0578","","","0.1484","0.1621","","","","","","1.045","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106884","18.7113","0.0009","15.8961","0.0008","21.8206","0.0011","90","","110.308","0.001","90","","6086.8","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H67 Dy2 Fe2 N5 O20 -","- C60 H64 Dy2 Fe2 N5 O20 -","- C240 H256 Dy8 Fe8 N20 O80 -","4","0.5","","Valeriu Mereacre; Amer Baniodeh; Christopher E. Anson; Annie K. Powell","Effect of Ligand Substitution on the Interaction Between Anisotropic Dy(III) Ions and57Fe Nuclei in Fe2Dy2 Coordination Clusters","Journal of the American Chemical Society","2011","133","","15335","15337","10.1021/ja206941e","","","0.71073","MoKα","","0.0542","0.0353","","","0.0755","0.0808","","","","","","1.009","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106885","11.5412","0.001","14.2757","0.0013","14.487","0.0012","61.979","0.006","87.646","0.007","80.384","0.007","2075.5","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H92 Dy2 Fe2 N4 O24 -","- C80 H92 Dy2 Fe2 N4 O24 -","- C80 H92 Dy2 Fe2 N4 O24 -","1","0.5","","Valeriu Mereacre; Amer Baniodeh; Christopher E. Anson; Annie K. Powell","Effect of Ligand Substitution on the Interaction Between Anisotropic Dy(III) Ions and57Fe Nuclei in Fe2Dy2 Coordination Clusters","Journal of the American Chemical Society","2011","133","","15335","15337","10.1021/ja206941e","","","0.71073","MoKα","","0.0458","0.04","","","0.0956","0.0972","","","","","","0.999","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106886","18.1723","0.0009","11.6948","0.0006","26.4638","0.0014","90","","96.466","0.001","90","","5588.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C107 H145 Cl2 Dy2 Fe2 N5 O24 -","- C104 H140 Dy2 Fe2 N4 O24 -","- C208 H280 Dy4 Fe4 N8 O48 -","2","0.5","","Valeriu Mereacre; Amer Baniodeh; Christopher E. Anson; Annie K. Powell","Effect of Ligand Substitution on the Interaction Between Anisotropic Dy(III) Ions and57Fe Nuclei in Fe2Dy2 Coordination Clusters","Journal of the American Chemical Society","2011","133","","15335","15337","10.1021/ja206941e","","","0.71073","MoKα","","0.0499","0.0435","","","0.1001","0.1023","","","","","","1.17","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106887","11.0959","0.001","14.0354","0.0012","14.3715","0.0011","85.882","0.007","89.474","0.007","75.941","0.007","2165.4","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C71.4 H83.7 Dy2 Fe2 N15.7 O34.3 -","- C71.4 H82.2 Dy2 Fe2 N15.7 O34.3 -","- C71.4 H82.2 Dy2 Fe2 N15.7 O34.3 -","1","0.5","","Valeriu Mereacre; Amer Baniodeh; Christopher E. Anson; Annie K. Powell","Effect of Ligand Substitution on the Interaction Between Anisotropic Dy(III) Ions and57Fe Nuclei in Fe2Dy2 Coordination Clusters","Journal of the American Chemical Society","2011","133","","15335","15337","10.1021/ja206941e","","","0.71073","MoKα","","0.0589","0.0364","","","0.0612","0.0643","","","","","","0.983","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106888","11.9912","0.0006","12.8733","0.0007","14.5474","0.0008","70.567","0.004","79.101","0.004","67.143","0.004","1946.78","0.19","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H70 Dy2 Fe2 N14 O20 -","- C72 H70 Dy2 Fe2 N14 O20 -","- C72 H70 Dy2 Fe2 N14 O20 -","1","0.5","","Valeriu Mereacre; Amer Baniodeh; Christopher E. Anson; Annie K. Powell","Effect of Ligand Substitution on the Interaction Between Anisotropic Dy(III) Ions and57Fe Nuclei in Fe2Dy2 Coordination Clusters","Journal of the American Chemical Society","2011","133","","15335","15337","10.1021/ja206941e","","","0.71073","MoKα","","0.0318","0.0261","","","0.0579","0.0593","","","","","","1.016","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106889","24.6803","0.0007","19.0086","0.0006","24.8761","0.0008","90","","90","","90","","11670.3","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C186 H104 La2 N8 Ni2 -","- C186 H104 La1.9998 N8 Ni2 -","- C744 H416 La7.9992 N32 Ni8 -","4","0.5","","Christine M. Beavers; Hongxiao Jin; Hua Yang; Zhimin Wang; Xinqing Wang; Hongliang Ge; Ziyang Liu; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Very Large, Soluble Endohedral Fullerenes in the Series La2C90 to La2C138: Isolation and Crystallographic Characterization of La2@D5(450)-C100","Journal of the American Chemical Society","2011","133","","15338","15341","10.1021/ja207090e","","","0.7749","synchrotron","","0.1162","0.0726","","","0.2027","0.2411","","","","","","1.026","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106890","14.0736","0.0007","16.1627","0.0008","20.5702","0.001","90","","94.579","0.001","90","","4664.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H70 N2 O3 Si2 W -","- C46 H63 N2 O3 Si2 W -","- C184 H252 N8 O12 Si8 W4 -","4","1","","Takako Muraoka; Keisuke Abe; Youhei Haga; Tomoko Nakamura; Keiji Ueno","Synthesis of a Base-Stabilized Silanone-Coordinated Complex by Oxygenation of a (Silyl)(silylene)tungsten Complex","Journal of the American Chemical Society","2011","133","","15365","15367","10.1021/ja207395w","","","0.71073","MoKα","","0.0753","0.0743","","","0.1264","0.1268","","","","","","1.424","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106891","11.414","0.002","12.2453","0.0019","12.606","0.002","78.318","0.017","83.57","0.018","80.96","0.018","1698.1","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 O4 Si2 W -","- C32 H48 O4 Si2 W -","- C64 H96 O8 Si4 W2 -","2","1","","Takako Muraoka; Keisuke Abe; Youhei Haga; Tomoko Nakamura; Keiji Ueno","Synthesis of a Base-Stabilized Silanone-Coordinated Complex by Oxygenation of a (Silyl)(silylene)tungsten Complex","Journal of the American Chemical Society","2011","133","","15365","15367","10.1021/ja207395w","","","0.71073","MoKα","","0.0441","0.0437","","","0.1077","0.108","","","","","","1.191","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106892","10.7602","0.0003","26.2859","0.0009","11.0666","0.0004","90","","96.7772","0.0014","90","","3108.22","0.18","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mg{CpFe(CO)2}2(THF)4","","- C30 H42 Fe2 Mg O8 -","- C30 H42 Fe2 Mg O8 -","- C120 H168 Fe8 Mg4 O32 -","4","1","","Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford","Heterobimetallic Complexes Containing Ca-Fe or Yb-Fe Bonds: Synthesis and Molecular and Electronic Structures of [M{CpFe(CO)2}2(THF)3]2 (M = Ca or Yb)","Journal of the American Chemical Society","2011","133","","15358","15361","10.1021/ja207487j","","","0.71073","MoKα","","0.1205","0.0683","","0.0659","0.0482","0.0455","","","","","","1.1257","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106893","12.9009","0.0001","21.4323","0.0002","16.2355","0.0001","90","","109.763","0.0004","90","","4224.64","0.06","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Ca(LDipp)Fp(THF)2]2","","- C88 H122 Ca2 Fe2 N4 O8 -","- C88 H122 Ca2 Fe2 N4 O8 -","- C176 H244 Ca4 Fe4 N8 O16 -","2","0.5","","Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford","Heterobimetallic Complexes Containing Ca-Fe or Yb-Fe Bonds: Synthesis and Molecular and Electronic Structures of [M{CpFe(CO)2}2(THF)3]2 (M = Ca or Yb)","Journal of the American Chemical Society","2011","133","","15358","15361","10.1021/ja207487j","","","0.71073","MoKα","","0.049","0.0375","","0.0436","0.0372","0.0363","","","","","","1.0939","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106894","10.1473","0.0005","11.041","0.0006","15.6119","0.0008","106.883","0.005","102.239","0.004","99.551","0.004","1586.54","0.16","150","","150","","","","","","","","","5","P -1","-P 1","2","","[CaFp2(THF)3]2","","- C56 H76 Ca2 Fe4 O15 -","- C56 H76 Ca2 Fe4 O15 -","- C56 H76 Ca2 Fe4 O15 -","1","0.5","","Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford","Heterobimetallic Complexes Containing Ca-Fe or Yb-Fe Bonds: Synthesis and Molecular and Electronic Structures of [M{CpFe(CO)2}2(THF)3]2 (M = Ca or Yb)","Journal of the American Chemical Society","2011","133","","15358","15361","10.1021/ja207487j","","","1.54184","CuKα","","0.0849","0.064","","0.0443","0.0408","0.0401","","","","","","1.1597","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106895","10.1742","0.0001","11.0428","0.0001","15.7031","0.0002","106.925","0.0006","102.648","0.0005","99.4417","0.0006","1597.11","0.03","150","","150","","","","","","","","","5","P -1","-P 1","2","","YbFp2(THF)3","","- C58 H80 Fe4 O15.5 Yb2 -","- C58 H80 Fe4 O15.5 Yb2 -","- C58 H80 Fe4 O15.5 Yb2 -","1","0.5","","Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford","Heterobimetallic Complexes Containing Ca-Fe or Yb-Fe Bonds: Synthesis and Molecular and Electronic Structures of [M{CpFe(CO)2}2(THF)3]2 (M = Ca or Yb)","Journal of the American Chemical Society","2011","133","","15358","15361","10.1021/ja207487j","","","0.71073","MoKα","","0.0278","0.0254","","0.0277","0.0266","0.0264","","","","","","1.0766","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106896","16.324","0.004","19.559","0.005","18.516","0.005","90","","90","","90","","5912","3","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","eisbm05","","","- C28 H44 Co N S4 -","- C28 H44 Co N S4 -","- C224 H352 Co8 N8 S32 -","8","2","","William R. McNamara; Zhiji Han; Paul J. Alperin; William W. Brennessel; Patrick L. Holland; Richard Eisenberg","A Cobalt-Dithiolene Complex for the Photocatalytic and Electrocatalytic Reduction of Protons","Journal of the American Chemical Society","2011","133","","15368","15371","10.1021/ja207842r","","","0.71073","MoKα","","0.0877","0.0519","","","0.0989","0.114","","","","","","0.993","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106897","17.5701","0.0005","5.6668","0.0002","20.4694","0.0007","90","","96.082","0.002","90","","2026.59","0.12","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H31 N O -","- C24 H31 N O -","- C96 H124 N4 O4 -","4","1","","Susan L. Zultanski; Gregory C. Fu","Catalytic Asymmetric γ-Alkylation of Carbonyl Compounds via Stereoconvergent Suzuki Cross-Couplings","Journal of the American Chemical Society","2011","133","","15362","15364","10.1021/ja2079515","","","1.54178","CuKα","","0.0506","0.0476","","","0.1306","0.1328","","","","","","1.054","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106898","6.8079","0.0002","10.7683","0.0003","11.1116","0.0003","102.638","0.001","100.045","0.001","94.124","0.001","777.51","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N2 O3 S -","- C14 H20 N2 O3 S -","- C28 H40 N4 O6 S2 -","2","1","","Anupam Mukherjee; Ramesh B. Dateer; Rupsha Chaudhuri; Sabyasachi Bhunia; Somnath Narayan Karad; Rai-Shung Liu","Gold-Catalyzed 1,2-Difunctionalizations of Aminoalkynes Using Only N- and O-Containing Oxidants","Journal of the American Chemical Society","2011","133","","15372","15375","10.1021/ja208150d","","","0.71073","MoKα","","0.0438","0.0356","","","0.0942","0.1002","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106899","17.425","0.008","11.815","0.006","20.949","0.01","90","","111.334","0.007","90","","4017","3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H69 Fe N2 P Si4 -","- C30 H69 Fe N2 P Si4 -","- C120 H276 Fe4 N8 P4 Si16 -","4","1","","Po-Heng Lin; Nathan C. Smythe; Serge I. Gorelsky; Steven Maguire; Neil J. Henson; Ilia Korobkov; Brian L. Scott; John C. Gordon; R. Tom Baker; Muralee Murugesu","Importance of Out-of-State Spin-Orbit Coupling for Slow Magnetic Relaxation in Mononuclear FeII Complexes","Journal of the American Chemical Society","2011","133","","15806","15809","10.1021/ja203845x","","","0.71073","MoKα","","0.1942","0.0711","","","0.1374","0.1944","","","","","","0.926","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106900","11.9184","0.0003","11.9184","0.0003","24.2844","0.0008","90","","90","","90","","3449.56","0.17","200","2","200","2","","","","","","","","6","P 41","P 4w","76","","","","- C22 H60 Fe N2 P2 Si4 -","- C22 H60 Fe N2 P2 Si4 -","- C88 H240 Fe4 N8 P8 Si16 -","4","1","","Po-Heng Lin; Nathan C. Smythe; Serge I. Gorelsky; Steven Maguire; Neil J. Henson; Ilia Korobkov; Brian L. Scott; John C. Gordon; R. Tom Baker; Muralee Murugesu","Importance of Out-of-State Spin-Orbit Coupling for Slow Magnetic Relaxation in Mononuclear FeII Complexes","Journal of the American Chemical Society","2011","133","","15806","15809","10.1021/ja203845x","","","0.71073","MoKα","","0.037","0.0286","","","0.0591","0.0612","","","","","","1.042","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106901","12.0279","0.0009","15.796","0.0012","20.3153","0.0016","90","","90.329","0.001","90","","3859.7","0.5","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H69 Fe N2 P Si4 -","- C30 H69 Fe N2 P Si4 -","- C120 H276 Fe4 N8 P4 Si16 -","4","1","","Po-Heng Lin; Nathan C. Smythe; Serge I. Gorelsky; Steven Maguire; Neil J. Henson; Ilia Korobkov; Brian L. Scott; John C. Gordon; R. Tom Baker; Muralee Murugesu","Importance of Out-of-State Spin-Orbit Coupling for Slow Magnetic Relaxation in Mononuclear FeII Complexes","Journal of the American Chemical Society","2011","133","","15806","15809","10.1021/ja203845x","","","0.71073","MoKα","","0.0606","0.0388","","","0.088","0.096","","","","","","1.124","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106902","16.539","0.006","9.781","0.003","22.109","0.008","90","","108.69","0.005","90","","3388","2","113","","113","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C38 H40 N4 O4 Pt2 -","- C38 H40 N4 O4 Pt2 -","- C152 H160 N16 O16 Pt8 -","4","1","","Naruyoshi Komiya; Takako Muraoka; Masayuki Iida; Maiko Miyanaga; Koichi Takahashi; Takeshi Naota","Ultrasound-Induced Emission Enhancement Based on Structure-Dependent Homo- and Heterochiral Aggregations of Chiral Binuclear Platinum Complexes","Journal of the American Chemical Society","2011","133","","16054","16061","10.1021/ja2039369","","","0.71075","MoKα","","","0.0778","","","","0.2218","","","","","","1.086","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106903","38.64","0.03","9.835","0.006","10.795","0.007","90","","94.461","0.012","90","","4090","5","113","","113","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H52 N4 O4 Pt2 -","- C44 H52 N4 O4 Pt2 -","- C176 H208 N16 O16 Pt8 -","4","1","","Naruyoshi Komiya; Takako Muraoka; Masayuki Iida; Maiko Miyanaga; Koichi Takahashi; Takeshi Naota","Ultrasound-Induced Emission Enhancement Based on Structure-Dependent Homo- and Heterochiral Aggregations of Chiral Binuclear Platinum Complexes","Journal of the American Chemical Society","2011","133","","16054","16061","10.1021/ja2039369","","","0.71075","MoKα","","","0.1044","","","","0.2425","","","","","","1.039","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106904","9.796","0.003","19.219","0.006","20.06","0.006","90","","99.104","0.008","90","","3729","2","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 N4 O4 Pt2 -","- C42 H48 N4 O4 Pt2 -","- C168 H192 N16 O16 Pt8 -","4","1","","Naruyoshi Komiya; Takako Muraoka; Masayuki Iida; Maiko Miyanaga; Koichi Takahashi; Takeshi Naota","Ultrasound-Induced Emission Enhancement Based on Structure-Dependent Homo- and Heterochiral Aggregations of Chiral Binuclear Platinum Complexes","Journal of the American Chemical Society","2011","133","","16054","16061","10.1021/ja2039369","","","0.71075","MoKα","","","0.0782","","","","0.2478","","","","","","1.227","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106905","18.1342","0.0003","21.0565","0.0003","14.0388","0.0002","90","","90","","90","","5360.61","0.14","113","","113","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C57 H78 N4 O4 Pt2 -","- C57 H78 N4 O4 Pt2 -","- C228 H312 N16 O16 Pt8 -","4","1","","Naruyoshi Komiya; Takako Muraoka; Masayuki Iida; Maiko Miyanaga; Koichi Takahashi; Takeshi Naota","Ultrasound-Induced Emission Enhancement Based on Structure-Dependent Homo- and Heterochiral Aggregations of Chiral Binuclear Platinum Complexes","Journal of the American Chemical Society","2011","133","","16054","16061","10.1021/ja2039369","","","0.71075","MoKα","","","0.0306","","","","0.0618","","","","","","1.069","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106906","21.258","0.005","9.278","0.002","19.752","0.005","90","","92.684","0.009","90","","3891.4","1.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Cl2 Co N5 S2 -","- C36 H45 Cl2 Co N5 S2 -","- C144 H180 Cl8 Co4 N20 S8 -","4","1","","Titel Jurca; Ahmed Farghal; Po-Heng Lin; Ilia Korobkov; Muralee Murugesu; Darrin S. Richeson","Single-Molecule Magnet Behavior with a Single Metal Center Enhanced through Peripheral Ligand Modifications","Journal of the American Chemical Society","2011","133","","15814","15817","10.1021/ja204562m","","","0.71073","MoKα","","0.0982","0.0723","","","0.1714","0.1879","","","","","","1.033","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106907","16.2916","0.0005","18.644","0.0006","15.7275","0.0005","90","","90","","90","","4777.1","0.3","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C47 H51 Co N5 O0.5 S2 -","- C47 H51 Co N5 O0.5 S2 -","- C188 H204 Co4 N20 O2 S8 -","4","0.5","","Titel Jurca; Ahmed Farghal; Po-Heng Lin; Ilia Korobkov; Muralee Murugesu; Darrin S. Richeson","Single-Molecule Magnet Behavior with a Single Metal Center Enhanced through Peripheral Ligand Modifications","Journal of the American Chemical Society","2011","133","","15814","15817","10.1021/ja204562m","","","0.71073","MoKα","","0.1705","0.0693","","","0.1064","0.1323","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106908","8.529","0.002","16.795","0.005","9.3511","0.0004","90","","91.695","0.001","90","","1338.9","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 F2 O7 -","- C11 H14 F2 O7 -","- C44 H56 F8 O28 -","4","1","","Seung Seo Lee; Ian R. Greig; David J. Vocadlo; John D. McCarter; Brian O. Patrick; Stephen G. Withers","Structural, Mechanistic, and Computational Analysis of the Effects of Anomeric Fluorines on Anomeric Fluoride Departure in 5-Fluoroxylosyl Fluorides","Journal of the American Chemical Society","2011","133","","15826","15829","10.1021/ja204829r","","","0.71069","MoKα","","0.21","0.0395","","","0.0876","0.1115","","","","","","0.808","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106909","5.6002","0.0009","13.903","0.005","9.208","0.0008","90","","103.04","0.002","90","","698.4","0.3","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 F3 O7 -","- C11 H13 F3 O7 -","- C22 H26 F6 O14 -","2","1","","Seung Seo Lee; Ian R. Greig; David J. Vocadlo; John D. McCarter; Brian O. Patrick; Stephen G. Withers","Structural, Mechanistic, and Computational Analysis of the Effects of Anomeric Fluorines on Anomeric Fluoride Departure in 5-Fluoroxylosyl Fluorides","Journal of the American Chemical Society","2011","133","","15826","15829","10.1021/ja204829r","","","0.71069","MoKα","","0.1127","0.0395","","","0.0828","0.0962","","","","","","0.778","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106910","7.9989","0.0009","7.3754","0.0008","11.0744","0.001","90","","91.65","0.01","90","","653.06","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 F2 O7 -","- C11 H14 F2 O7 -","- C22 H28 F4 O14 -","2","1","","Seung Seo Lee; Ian R. Greig; David J. Vocadlo; John D. McCarter; Brian O. Patrick; Stephen G. Withers","Structural, Mechanistic, and Computational Analysis of the Effects of Anomeric Fluorines on Anomeric Fluoride Departure in 5-Fluoroxylosyl Fluorides","Journal of the American Chemical Society","2011","133","","15826","15829","10.1021/ja204829r","","","0.71073","MoKα","","0.0449","0.0385","","","0.0958","0.0985","","","","","","1.022","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106911","8.6224","0.0008","13.421","0.0016","18.0267","0.0013","85.35","0.01","75.23","0.01","83.42","0.01","2000.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 F2 O7 -","- C11 H14 F2 O7 -","- C66 H84 F12 O42 -","6","3","","Seung Seo Lee; Ian R. Greig; David J. Vocadlo; John D. McCarter; Brian O. Patrick; Stephen G. Withers","Structural, Mechanistic, and Computational Analysis of the Effects of Anomeric Fluorines on Anomeric Fluoride Departure in 5-Fluoroxylosyl Fluorides","Journal of the American Chemical Society","2011","133","","15826","15829","10.1021/ja204829r","","","0.71073","MoKα","","0.0767","0.0601","","","0.1566","0.1725","","","","","","1.096","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106912","7.6787","0.0002","16.934","0.0004","18.3591","0.0004","90","","92.984","0.002","90","","2384.02","0.1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 N5 S2 -","- C28 H19 N5 S2 -","- C112 H76 N20 S8 -","4","1","","Li-Yen Lin; Yi-Hong Chen; Zheng-Yu Huang; Hao-Wu Lin; Shu-Hua Chou; Francis Lin; Chang-Wen Chen; Yi-Hung Liu; Ken-Tsung Wong","A Low-Energy-Gap Organic Dye for High-Performance Small-Molecule Organic Solar Cells","Journal of the American Chemical Society","2011","133","","15822","15825","10.1021/ja205126t","","","1.54178","CuKα","","0.0473","0.0429","","","0.1272","0.1351","","","","","","1.132","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106913","18.411","0.002","9.9589","0.0013","19.122","0.002","90","","105.903","0.008","90","","3371.9","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 O4 -","- C46 H40 O4 -","- C184 H160 O16 -","4","1","","Thomas J. Sisto; Matthew R. Golder; Elizabeth S. Hirst; Ramesh Jasti","Selective Synthesis of Strained [7]Cycloparaphenylene: An Orange-Emitting Fluorophore","Journal of the American Chemical Society","2011","133","","15800","15802","10.1021/ja205606p","","","1.54178","CuKα","","0.0804","0.0585","","","0.1274","0.1471","","","","","","1.047","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106914","15.102","0.004","14.324","0.003","15.194","0.004","90","","92.847","0.004","90","","3282.7","1.4","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H78 Cl4 N4 O8 -","- C68 H78 Cl4 N4 O8 -","- C136 H156 Cl8 N8 O16 -","2","0.5","","Shinsuke Ishihara; Jonathan P. Hill; Atsuomi Shundo; Gary J. Richards; Jan Labuta; Kei Ohkubo; Shunichi Fukuzumi; Akira Sato; Mark R. J. Elsegood; Simon J. Teat; Katsuhiko Ariga","Reversible Photoredox Switching of Porphyrin-Bridged Bis-2,6-di-tert-butylphenols","Journal of the American Chemical Society","2011","133","","16119","16126","10.1021/ja2056165","","","0.71073","MoKα","","0.056","0.0512","","","0.1355","0.1399","","","","","","1.04","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106915","14.677","0.004","14.833","0.004","17.768","0.005","111.834","0.004","91.375","0.004","113.717","0.004","3218.1","1.5","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H75 N4 O8 -","- C76 H75 N4 O8 -","- C152 H150 N8 O16 -","2","1","","Shinsuke Ishihara; Jonathan P. Hill; Atsuomi Shundo; Gary J. Richards; Jan Labuta; Kei Ohkubo; Shunichi Fukuzumi; Akira Sato; Mark R. J. Elsegood; Simon J. Teat; Katsuhiko Ariga","Reversible Photoredox Switching of Porphyrin-Bridged Bis-2,6-di-tert-butylphenols","Journal of the American Chemical Society","2011","133","","16119","16126","10.1021/ja2056165","","","0.71073","MoKα","","0.0768","0.0667","","","0.1833","0.1943","","","","","","1.048","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106916","19.3034","0.0008","11.7118","0.0004","43.8395","0.0017","90","","90","","90","","9911.1","0.7","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C106 H160 N6 O5.5 -","- C104 H156 N6 O5 -","- C416 H624 N24 O20 -","4","1","","Shinsuke Ishihara; Jonathan P. Hill; Atsuomi Shundo; Gary J. Richards; Jan Labuta; Kei Ohkubo; Shunichi Fukuzumi; Akira Sato; Mark R. J. Elsegood; Simon J. Teat; Katsuhiko Ariga","Reversible Photoredox Switching of Porphyrin-Bridged Bis-2,6-di-tert-butylphenols","Journal of the American Chemical Society","2011","133","","16119","16126","10.1021/ja2056165","","","0.7749","synchrotron","","0.1165","0.0978","","","0.2651","0.2806","","","","","","1.041","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106917","21.1484","0.0012","9.4351","0.0005","27.3906","0.0015","90","","101.053","0.003","90","","5364.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H66 N4 O2 -","- C66 H66 N4 O2 -","- C264 H264 N16 O8 -","4","1","","Shinsuke Ishihara; Jonathan P. Hill; Atsuomi Shundo; Gary J. Richards; Jan Labuta; Kei Ohkubo; Shunichi Fukuzumi; Akira Sato; Mark R. J. Elsegood; Simon J. Teat; Katsuhiko Ariga","Reversible Photoredox Switching of Porphyrin-Bridged Bis-2,6-di-tert-butylphenols","Journal of the American Chemical Society","2011","133","","16119","16126","10.1021/ja2056165","","","0.7749","synchrotron","","0.1511","0.1436","","","0.3606","0.3669","","","","","","1.105","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106918","15.523","0.002","14.8902","0.0019","15.937","0.002","90","","93.327","0.004","90","","3677.5","0.8","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H36 N4 -","- C50 H36 N4 -","- C200 H144 N16 -","4","1","","Thomas P. Vaid","A Porphyrin with a C=C Unit at Its Center","Journal of the American Chemical Society","2011","133","","15838","15841","10.1021/ja205738z","","","0.71073","MoKα","","0.1002","0.0696","","","","0.1929","","","","","","1.091","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106919","19.287","0.005","17.924","0.005","19.221","0.005","90","","111.26","0.02","90","","6192","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H56 Fe2 N24 O9 S4 -","- C53 H56 Fe2 N24 O9 S4 -","- C212 H224 Fe8 N96 O36 S16 -","4","0.5","","Yann Garcia; François Robert; Anil D. Naik; Guangyuan Zhou; Bernard Tinant; Koen Robeyns; Sébastien Michotte; Luc Piraux","Spin Transition Charted in a Fluorophore-Tagged Thermochromic Dinuclear Iron(II) Complex","Journal of the American Chemical Society","2011","133","","15850","15853","10.1021/ja205974q","","","0.71069","MoKα","","0.0549","0.048","","","0.1217","0.1267","","","","","","1.062","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106920","19.63","0.005","18.131","0.005","19.5","0.005","90","","110.74","0.02","90","","6491","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H56 Fe2 N24 O9 S4 -","- C53 H56 Fe2 N24 O9 S4 -","- C212 H224 Fe8 N96 O36 S16 -","4","0.5","","Yann Garcia; François Robert; Anil D. Naik; Guangyuan Zhou; Bernard Tinant; Koen Robeyns; Sébastien Michotte; Luc Piraux","Spin Transition Charted in a Fluorophore-Tagged Thermochromic Dinuclear Iron(II) Complex","Journal of the American Chemical Society","2011","133","","15850","15853","10.1021/ja205974q","","","0.71069","MoKα","","0.064","0.0523","","","0.1334","0.1405","","","","","","1.019","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106921","19.3751","0.0013","22.2846","0.0019","26.8917","0.0019","90","","93.087","0.005","90","","11594.1","1.5","100","2","100","2","","","","","","","","8","P 1 2/m 1","-P 2y","10","","","","- C189 H107 B3 Br6 F6 N12 O24 Zn6 -","- C189 H107 B3 Br6 F6 N12 O24 Zn6 -","- C189 H107 B3 Br6 F6 N12 O24 Zn6 -","1","0.25","","Chang Yeon Lee; Omar K. Farha; Bong Jin Hong; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp","Light-Harvesting Metal-Organic Frameworks (MOFs): Efficient Strut-to-Strut Energy Transfer in Bodipy and Porphyrin-Based MOFs","Journal of the American Chemical Society","2011","133","","15858","15861","10.1021/ja206029a","","","1.54178","CuKα","","0.1972","0.0797","","","0.1904","0.2195","","","","","","0.821","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106922","16.6179","0.0016","16.6179","0.0016","22.266","0.004","90","","90","","90","","6148.9","1.4","100","2","100","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C77 H49 B F2 N8 O9 Zn3 -","- C77.12 H50.32 B0.96 F1.92 N8 O9 Zn3 -","- C77.12 H50.32 B0.96 F1.92 N8 O9 Zn3 -","1","0.0625","","Chang Yeon Lee; Omar K. Farha; Bong Jin Hong; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp","Light-Harvesting Metal-Organic Frameworks (MOFs): Efficient Strut-to-Strut Energy Transfer in Bodipy and Porphyrin-Based MOFs","Journal of the American Chemical Society","2011","133","","15858","15861","10.1021/ja206029a","","","1.54178","CuKα","","0.1009","0.0695","","","0.1715","0.1865","","","","","","0.928","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106923","36.0575","0.0014","26.5202","0.0011","28.8726","0.0013","90","","90","","90","","27609","2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 In40 N9 O8 S66 -","- C2 In40 N9 O8 S66 -","- C8 In160 N36 O32 S264 -","4","0.5","","Tao Wu; Fan Zuo; Le Wang; Xianhui Bu; Shou-Tian Zheng; Richard Ma; Pingyun Feng","A Large Indium Sulfide Supertetrahedral Cluster Built from Integration of ZnS-like Tetrahedral Shell with NaCl-like Octahedral Core","Journal of the American Chemical Society","2011","133","","15886","15889","10.1021/ja2066994","","","0.71073","MoKα","","0.1423","0.0845","","","0.2404","0.3276","","","","","","1.011","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106924","31.108","0.005","15.439","0.003","23.333","0.003","90","","106.151","0.011","90","","10764","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H50 F36 N10 O12 Yb2 -","- C82 H50 F36 N10 O12 Yb2 -","- C328 H200 F144 N40 O48 Yb8 -","4","0.5","","Jean-François Lemonnier; Laure Guénée; César Beuchat; Tomasz A. Wesolowski; Prasun Mukherjee; David H. Waldeck; Kristy A. Gogick; Stéphane Petoud; Claude Piguet","Optimizing Sensitization Processes in Dinuclear Luminescent Lanthanide Oligomers: Selection of Rigid Aromatic Spacers","Journal of the American Chemical Society","2011","133","","16219","16234","10.1021/ja206806t","","","0.71073","MoKα","","0.1504","0.0875","","","0.2112","0.2387","","","","","","1.148","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106925","31.076","0.003","15.3146","0.0009","23.392","0.002","90","","106.094","0.007","90","","10696.3","1.6","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H50 F36 N10 O12 Y2 -","- C82 H50 F36 N10 O12 Y2 -","- C328 H200 F144 N40 O48 Y8 -","4","0.5","","Jean-François Lemonnier; Laure Guénée; César Beuchat; Tomasz A. Wesolowski; Prasun Mukherjee; David H. Waldeck; Kristy A. Gogick; Stéphane Petoud; Claude Piguet","Optimizing Sensitization Processes in Dinuclear Luminescent Lanthanide Oligomers: Selection of Rigid Aromatic Spacers","Journal of the American Chemical Society","2011","133","","16219","16234","10.1021/ja206806t","","","0.71073","MoKα","","0.1461","0.0923","","","0.2106","0.2267","","","","","","1.312","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106926","12.586","0.0008","12.6093","0.0008","14.5497","0.001","103.816","0.005","93.852","0.005","103.81","0.005","2158.5","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H48 F38 N10 O12 Yb2 -","- C82 H48 F38 N10 O12 Yb2 -","- C82 H48 F38 N10 O12 Yb2 -","1","0.5","","Jean-François Lemonnier; Laure Guénée; César Beuchat; Tomasz A. Wesolowski; Prasun Mukherjee; David H. Waldeck; Kristy A. Gogick; Stéphane Petoud; Claude Piguet","Optimizing Sensitization Processes in Dinuclear Luminescent Lanthanide Oligomers: Selection of Rigid Aromatic Spacers","Journal of the American Chemical Society","2011","133","","16219","16234","10.1021/ja206806t","","","0.71069","MoKα","","0.0332","0.0309","","","0.0857","0.0866","","","","","","1.318","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106927","12.1392","0.0007","12.708","0.0007","16.7807","0.001","75.761","0.005","70.952","0.005","65.58","0.004","2209.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H54 Eu2 F36 N10 O14 -","- C84 H54 Eu2 F36 N10 O14 -","- C84 H54 Eu2 F36 N10 O14 -","1","0.5","","Jean-François Lemonnier; Laure Guénée; César Beuchat; Tomasz A. Wesolowski; Prasun Mukherjee; David H. Waldeck; Kristy A. Gogick; Stéphane Petoud; Claude Piguet","Optimizing Sensitization Processes in Dinuclear Luminescent Lanthanide Oligomers: Selection of Rigid Aromatic Spacers","Journal of the American Chemical Society","2011","133","","16219","16234","10.1021/ja206806t","","","0.71073","MoKα","","0.0495","0.0381","","","0.0784","0.083","","","","","","0.986","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106928","5.886","0.003","10.628","0.005","29.381","0.012","90","","90","","90","","1838","1.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N2 O5 S -","- C16 H24 N2 O5 S -","- C64 H96 N8 O20 S4 -","4","1","","Li-Tao Shen; Li-Hui Sun; Song Ye","Highly Enantioselective γ-Amination of α,β-Unsaturated Acyl Chlorides with Azodicarboxylates: Efficient Synthesis of Chiral γ-Amino Acid Derivatives","Journal of the American Chemical Society","2011","133","","15894","15897","10.1021/ja206819y","","","0.71073","MoKα","","0.049","0.0457","","","0.1001","0.1027","","","","","","1.099","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106929","18.661","0.003","8.7754","0.0016","7.9279","0.0015","90","","96.648","0.003","90","","1289.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 Br O3 -","- C11 H21 Br O3 -","- C44 H84 Br4 O12 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler","A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers","Journal of the American Chemical Society","2011","133","","15898","15901","10.1021/ja2069449","","","0.71073","MoKα","","0.0965","0.044","","","0.083","0.0974","","","","","","1.026","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106930","18.191","0.019","8.927","0.009","8.178","0.008","90","","94.08","0.013","90","","1325","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 Br O3 -","- C11 H21 Br O3 -","- C44 H84 Br4 O12 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler","A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers","Journal of the American Chemical Society","2011","133","","15898","15901","10.1021/ja2069449","","","0.71073","MoKα","","0.2535","0.0737","","","0.1548","0.2064","","","","","","1.001","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106931","17.1453","0.0019","8.5306","0.001","8.3789","0.0009","90","","93.878","0.002","90","","1222.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 Br O3 -","- C11 H21 Br O3 -","- C44 H84 Br4 O12 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler","A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers","Journal of the American Chemical Society","2011","133","","15898","15901","10.1021/ja2069449","","","0.71073","MoKα","","0.0395","0.0298","","","0.0754","0.0797","","","","","","1.047","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106932","14.5031","0.0015","10.0832","0.001","17.4974","0.0018","90","","102.375","0.002","90","","2499.3","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 Br3 O5 -","- C25 H27 Br3 O5 -","- C100 H108 Br12 O20 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler","A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers","Journal of the American Chemical Society","2011","133","","15898","15901","10.1021/ja2069449","","","0.71073","MoKα","","0.1261","0.0475","","","0.0718","0.0882","","","","","","1.004","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106933","15.255","0.004","8.603","0.002","8.606","0.002","90","","95.675","0.003","90","","1123.9","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 Br O3 -","- C10 H19 Br O3 -","- C40 H76 Br4 O12 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler","A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers","Journal of the American Chemical Society","2011","133","","15898","15901","10.1021/ja2069449","","","0.71073","MoKα","","0.0449","0.0311","","","0.0643","0.0694","","","","","","1.051","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106934","23.14","0.009","7.323","0.003","8.379","0.003","90","","95.348","0.006","90","","1413.7","0.9","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H24 Br O4.5 -","- C11 H24 Br O4.5 -","- C44 H96 Br4 O18 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler","A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers","Journal of the American Chemical Society","2011","133","","15898","15901","10.1021/ja2069449","","","0.71073","MoKα","","0.0638","0.039","","","0.0594","0.0652","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106935","5.2374","0.001","8.1373","0.0016","16.775","0.003","87.12","0.003","84.11","0.003","73.262","0.003","680.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H23 Br O3 -","- C12 H23 Br O3 -","- C24 H46 Br2 O6 -","2","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler","A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers","Journal of the American Chemical Society","2011","133","","15898","15901","10.1021/ja2069449","","","0.71073","MoKα","","0.0997","0.0466","","","0.0706","0.0818","","","","","","1.002","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106936","8.946","0.005","9.455","0.005","9.534","0.005","65.477","0.005","78.997","0.005","77.201","0.005","711","0.7","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H20 F N O2 -","- C16 H20 F N O2 -","- C32 H40 F2 N2 O4 -","2","2","","Matthew H. Katcher; Allen Sha; Abigail G. Doyle","Palladium-Catalyzed Regio- and Enantioselective Fluorination of Acyclic Allylic Halides","Journal of the American Chemical Society","2011","133","","15902","15905","10.1021/ja206960k","","","1.54184","CuKα","","0.04","0.0392","","","0.1061","0.1077","","","","","","1.108","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106937","16.6758","0.0006","14.9777","0.0004","15.2925","0.0004","90","","98.774","0.002","90","","3774.8","0.2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 Cl2 N O P2 S2 -","- C40 H39 Cl2 N O P2 S2 -","- C160 H156 Cl8 N4 O4 P8 S8 -","4","1","","Achim Bruch; Roland Fröhlich; Stefan Grimme; Armido Studer; Dennis P. Curran","One Product, Two Pathways: Initially Divergent Radical Reactions Reconverge To Form a Single Product in High Yield","Journal of the American Chemical Society","2011","133","","16270","16276","10.1021/ja2070347","","","1.54178","CuKα","","0.0598","0.0526","","","0.1347","0.141","","","","","","1.038","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106938","11.0072","0.0004","17.2751","0.0005","17.6048","0.0006","90","","90","","90","","3347.56","0.19","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 I2 N O -","- C15 H17 I2 N O -","- C120 H136 I16 N8 O8 -","8","1","","Achim Bruch; Roland Fröhlich; Stefan Grimme; Armido Studer; Dennis P. Curran","One Product, Two Pathways: Initially Divergent Radical Reactions Reconverge To Form a Single Product in High Yield","Journal of the American Chemical Society","2011","133","","16270","16276","10.1021/ja2070347","","","0.71073","MoKα","","0.0935","0.0795","","","0.2079","0.2203","","","","","","1.126","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106939","8.7052","0.0002","9.0837","0.0002","9.9412","0.0003","114.065","0.002","93.81","0.002","97.318","0.001","705.82","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 I N O -","- C15 H18 I N O -","- C30 H36 I2 N2 O2 -","2","1","","Achim Bruch; Roland Fröhlich; Stefan Grimme; Armido Studer; Dennis P. Curran","One Product, Two Pathways: Initially Divergent Radical Reactions Reconverge To Form a Single Product in High Yield","Journal of the American Chemical Society","2011","133","","16270","16276","10.1021/ja2070347","","","0.71073","MoKα","","0.0481","0.0477","","","0.1305","0.1308","","","","","","1.075","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106940","11.2664","0.0007","16.9596","0.0011","22.4797","0.0015","90","","90","","90","","4295.3","0.5","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H63 K O6 Si3 Y -","- C36 H63 K O6 Si3 Y -","- C144 H252 K4 O24 Si12 Y4 -","4","1","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Synthesis of a Crystalline Molecular Complex of Y2+, [(18-crown-6)K][(C5H4SiMe3)3Y]","Journal of the American Chemical Society","2011","133","","15914","15917","10.1021/ja207151y","","","0.71073","MoKα","","0.0342","0.0275","","","0.0572","0.0592","","","","","","1.013","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106941","8.2062","0.0003","22.2585","0.0007","28.7399","0.0009","90","","90","","90","","5249.6","0.3","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Y -","- C24 H39 Si3 Y -","- C192 H312 Si24 Y8 -","8","1","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Synthesis of a Crystalline Molecular Complex of Y2+, [(18-crown-6)K][(C5H4SiMe3)3Y]","Journal of the American Chemical Society","2011","133","","15914","15917","10.1021/ja207151y","","","0.71073","MoKα","","0.0341","0.0236","","","0.0527","0.0561","","","","","","1.03","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106942","19.3633","0.0008","15.2696","0.0006","21.0046","0.0009","90","","111.798","0.0005","90","","5766.4","0.4","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H84 N2 O2 Si4 Y2 -","- C54 H84 N2 O2 Si4 Y2 -","- C216 H336 N8 O8 Si16 Y8 -","4","1","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Synthesis of a Crystalline Molecular Complex of Y2+, [(18-crown-6)K][(C5H4SiMe3)3Y]","Journal of the American Chemical Society","2011","133","","15914","15917","10.1021/ja207151y","","","0.71073","MoKα","","0.0378","0.0279","","","0.065","0.0683","","","","","","1.025","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106943","10.4194","0.0003","13.8223","0.0006","20.0405","0.0005","76.492","0.001","75.028","0.001","82.15","0.002","2702.18","0.16","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H87 Ge N7 O P2 Si -","- C46 H87 Ge N7 O P2 Si -","- C92 H174 Ge2 N14 O2 P4 Si2 -","2","1","","Juliette Berthe; Juan Manuel Garcia; Edgar Ocando; Tsuyoshi Kato; Nathalie Saffon-Merceron; Abel De Cózar; Fernando P. Cossío; Antoine Baceiredo","Synthesis and Reactivity of a Phosphine-Stabilized Monogermanium Analogue of Alkynes","Journal of the American Chemical Society","2011","133","","15930","15933","10.1021/ja2073577","","","0.71073","MoKα","","0.0439","0.0361","","","0.0963","0.1013","","","","","","1.023","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106944","10.0652","0.0009","12.1234","0.0011","20.7037","0.0019","100.199","0.005","93.7","0.004","100.552","0.005","2432.1","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H77 Ge N5 P2 Si -","- C42 H77 Ge N5 P2 Si -","- C84 H154 Ge2 N10 P4 Si2 -","2","1","","Juliette Berthe; Juan Manuel Garcia; Edgar Ocando; Tsuyoshi Kato; Nathalie Saffon-Merceron; Abel De Cózar; Fernando P. Cossío; Antoine Baceiredo","Synthesis and Reactivity of a Phosphine-Stabilized Monogermanium Analogue of Alkynes","Journal of the American Chemical Society","2011","133","","15930","15933","10.1021/ja2073577","","","0.71073","MoKα","","0.0725","0.0524","","","0.1163","0.1264","","","","","","1.184","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106945","12.0149","0.0004","13.333","0.0005","28.4929","0.0009","90","","95.319","0.001","90","","4544.8","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H77 Ge N5 P2 Si -","- C42 H77 Ge N5 P2 Si -","- C168 H308 Ge4 N20 P8 Si4 -","4","1","","Juliette Berthe; Juan Manuel Garcia; Edgar Ocando; Tsuyoshi Kato; Nathalie Saffon-Merceron; Abel De Cózar; Fernando P. Cossío; Antoine Baceiredo","Synthesis and Reactivity of a Phosphine-Stabilized Monogermanium Analogue of Alkynes","Journal of the American Chemical Society","2011","133","","15930","15933","10.1021/ja2073577","","","0.71073","MoKα","","0.055","0.037","","","0.0887","0.0954","","","","","","1.02","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106946","9.8517","0.0004","10.3538","0.0004","22.4488","0.001","85.48","0.001","81.329","0.002","70.626","0.001","2134.46","0.15","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H71 Ge N5 P2 -","- C40 H71 Ge N5 P2 -","- C80 H142 Ge2 N10 P4 -","2","1","","Juliette Berthe; Juan Manuel Garcia; Edgar Ocando; Tsuyoshi Kato; Nathalie Saffon-Merceron; Abel De Cózar; Fernando P. Cossío; Antoine Baceiredo","Synthesis and Reactivity of a Phosphine-Stabilized Monogermanium Analogue of Alkynes","Journal of the American Chemical Society","2011","133","","15930","15933","10.1021/ja2073577","","","0.71073","MoKα","","0.0383","0.0317","","","0.0796","0.0838","","","","","","1.03","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106947","14.8753","0.0012","26.441","0.002","15.4218","0.0015","90","","107.903","0.003","90","","5772","0.9","153","2","153","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C130 H88 Cl5 Li N4 S24 -","- C129 H86 Cl3 Li N4 S24 -","- C258 H172 Cl6 Li2 N8 S48 -","2","0.5","","Shunichi Fukuzumi; Kei Ohkubo; Yuki Kawashima; Dong Sub Kim; Jung Su Park; Atanu Jana; Vincent M. Lynch; Dongho Kim; Jonathan L. Sessler","Ion-Controlled On-Off Switch of Electron Transfer from Tetrathiafulvalene Calix[4]pyrroles to Li+@C60","Journal of the American Chemical Society","2011","133","","15938","15941","10.1021/ja207588c","","","0.71075","MoKα","","0.1064","0.071","","","0.1919","0.2056","","","","","","1.282","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106948","10.111","0.0003","17.9859","0.0006","21.638","0.0007","66.504","0.001","77.043","0.001","85.474","0.001","3516.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H36 Ir N O23 P2 Ru6 -","- C65 H36 Ir N O23 P2 Ru6 -","- C130 H72 Ir2 N2 O46 P4 Ru12 -","2","1","","Richard D. Adams; Qiang Zhang; Xinzheng Yang","Two-Dimensional Bimetallic Carbonyl Cluster Complexes with New Properties and Reactivities","Journal of the American Chemical Society","2011","133","","15950","15953","10.1021/ja207840w","","","0.71073","MoKα","","0.0853","0.05","","","0.1248","0.1501","","","","","","1.069","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106949","10.624","0.002","13.983","0.003","17.735","0.004","68.36","0.004","88.205","0.004","80.33","0.004","2412.8","0.9","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H22 Au Ir O20 P Ru5 -","- C41 H22 Au Ir O20 P Ru5 -","- C82 H44 Au2 Ir2 O40 P2 Ru10 -","2","1","","Richard D. Adams; Qiang Zhang; Xinzheng Yang","Two-Dimensional Bimetallic Carbonyl Cluster Complexes with New Properties and Reactivities","Journal of the American Chemical Society","2011","133","","15950","15953","10.1021/ja207840w","","","0.71073","MoKα","","0.113","0.0736","","","0.1689","0.1813","","","","","","1.029","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106950","18.615","0.007","18.615","0.007","36.321","0.014","90","","90","","90","","12586","8","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","MMPF-1","","","- C36 H16 Cu3 N4 O10 -","- C36 H16 Cu3 N4 O10 -","- C288 H128 Cu24 N32 O80 -","8","0.5","","Xi-Sen Wang; Le Meng; Qigan Cheng; Chungsik Kim; Lukasz Wojtas; Matthew Chrzanowski; Yu-Sheng Chen; X. Peter Zhang; Shengqian Ma","Three-Dimensional Porous Metal-Metalloporphyrin Framework Consisting of Nanoscopic Polyhedral Cages","Journal of the American Chemical Society","2011","133","","16322","16325","10.1021/ja204339e","","","0.40663","synchrotron","","0.1772","0.096","","","0.2042","0.2186","","","","","","1.019","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106951","29.29","0.006","29.29","0.006","21.799","0.007","90","","90","","120","","16196","7","90","2","90","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C120 H97 N12 O0.5 -","- C120 H96 N12 O0.5 -","- C720 H576 N72 O3 -","6","0.666667","","Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper","Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages","Journal of the American Chemical Society","2011","133","","16566","16571","10.1021/ja2056374","","","0.6889","","","0.1363","0.0649","","","0.1453","0.1808","","","","","","0.993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106952","29.494","0.005","29.494","0.005","11.036","0.003","90","","90","","120","","8314","3","298","2","298","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C120 H96 N12 -","- C120 H96 N12 -","- C360 H288 N36 -","3","0.333333","","Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper","Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages","Journal of the American Chemical Society","2011","133","","16566","16571","10.1021/ja2056374","","","0.6889","","","0.0867","0.0421","","","0.0807","0.0947","","","","","","0.986","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106953","29.175","0.008","29.175","0.008","10.882","0.004","90","","90","","120","","8022","4","90","2","90","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C120 H96 N17 -","- C120 H96 N17 -","- C360 H288 N51 -","3","0.333333","","Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper","Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages","Journal of the American Chemical Society","2011","133","","16566","16571","10.1021/ja2056374","","","0.6889","","","0.116","0.0641","","","0.149","0.1783","","","","","","1.014","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106954","30.587","0.002","30.587","0.002","21.553","0.002","90","","90","","120","","17463","2","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C124.5 H89.5 Cl13.5 F12 N12 O0.5 -","- C124.5 H88 Cl13.17 F12 N12 O0.495 -","- C747 H528 Cl79.02 F72 N72 O2.97 -","6","0.666667","","Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper","Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages","Journal of the American Chemical Society","2011","133","","16566","16571","10.1021/ja2056374","","","0.71073","MoKα","","0.1229","0.0828","","","0.2118","0.2298","","","","","","1.249","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106955","30.128","0.005","30.128","0.005","20.746","0.004","90","","90","","120","","16308","5","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C120 H84 Cl0 F12 N13 -","- C120 H84 F12 N12.99 -","- C720 H504 F72 N77.94 -","6","0.333333","","Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper","Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages","Journal of the American Chemical Society","2011","133","","16566","16571","10.1021/ja2056374","","","0.71073","MoKα","","0.1161","0.0535","","","0.1076","0.1347","","","","","","1.027","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106956","21.886","0.005","13.965","0.005","18.903","0.003","90","","103.017","0.018","90","","5629","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H37 B18 Co N O P -","- C14 H37 B18 Co N O P -","- C112 H296 B144 Co8 N8 O8 P8 -","8","1","","Pau Farràs; Francesc Teixidor; Isabel Rojo; Raikko Kivekäs; Reijo Sillanpää; Patricia González-Cardoso; Clara Viñas","Relaxed but Highly Compact Diansa Metallacyclophanes","Journal of the American Chemical Society","2011","133","","16537","16552","10.1021/ja205850p","","","0.71069","MoKα","","0.1228","0.0505","","","0.1151","0.1394","","","","","","1.016","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106957","10.6695","0.0004","14.5788","0.0006","17.5974","0.0006","90","","90","","90","","2737.25","0.18","173","2","173","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H37 B18 Co N P S -","- C14 H37 B18 Co N P S -","- C56 H148 B72 Co4 N4 P4 S4 -","4","1","","Pau Farràs; Francesc Teixidor; Isabel Rojo; Raikko Kivekäs; Reijo Sillanpää; Patricia González-Cardoso; Clara Viñas","Relaxed but Highly Compact Diansa Metallacyclophanes","Journal of the American Chemical Society","2011","133","","16537","16552","10.1021/ja205850p","","x-ray","0.71073","MoKα","","0.0747","0.0542","","","0.1035","0.1111","","","","","","1.024","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106958","10.436","0.0003","11.2927","0.0003","23.4638","0.0007","90","","90","","90","","2765.22","0.14","173","2","173","2","","","","","","","synthesis as described","7","P 21 n b","P -2bc 2a","33","","","","- C14 H37 B18 Co N P Se -","- C14 H37 B18 Co N P Se -","- C56 H148 B72 Co4 N4 P4 Se4 -","4","1","","Pau Farràs; Francesc Teixidor; Isabel Rojo; Raikko Kivekäs; Reijo Sillanpää; Patricia González-Cardoso; Clara Viñas","Relaxed but Highly Compact Diansa Metallacyclophanes","Journal of the American Chemical Society","2011","133","","16537","16552","10.1021/ja205850p","","x-ray","0.71073","MoKα","","0.0713","0.053","","","0.0993","0.1043","","","","","","1.121","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106959","10.508","0.003","15.676","0.003","20.258","0.007","90","","90.323","0.002","90","","3336.9","1.6","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C20.8 H40.6 B18 Cl1.6 Co N P -","- C20.8 H40.6 B18 Cl1.6 Co N P -","- C83.2 H162.4 B72 Cl6.4 Co4 N4 P4 -","4","1","","Pau Farràs; Francesc Teixidor; Isabel Rojo; Raikko Kivekäs; Reijo Sillanpää; Patricia González-Cardoso; Clara Viñas","Relaxed but Highly Compact Diansa Metallacyclophanes","Journal of the American Chemical Society","2011","133","","16537","16552","10.1021/ja205850p","","x-ray","0.71073","MoKα","","0.0728","0.0635","","","0.1471","0.1508","","","","","","1.143","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106960","5.6446","0.0016","7.425","0.002","14.514","0.004","90","","90","","90","","608.3","0.3","173","2","173","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B H5 N Na -","- B H5 N Na -","- B8 H40 N8 Na8 -","8","1","","David J. Wolstenholme; James T. Titah; Franklin N. Che; Kyle T. Traboulsee; Jenna Flogeras; G. Sean McGrady","Homopolar Dihydrogen Bonding in Alkali-Metal Amidoboranes and Its Implications for Hydrogen Storage","Journal of the American Chemical Society","2011","133","","16598","16604","10.1021/ja206357a","","x-ray","0.71073","MoKα","","0.0351","0.0318","","","0.0919","0.0946","","","","","","1.249","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106961","17.7727","0.0008","12.6382","0.0006","8.1349","0.0004","90","","90","","90","","1827.22","0.15","296","2","296","2","","","","","","","","2","C m c 21","C 2c -2","36","","","","- C32 H12 -","- C32 H12 -","- C128 H48 -","4","0.5","","Tsun-Cheng Wu; Hsin-Ju Hsin; Ming-Yu Kuo; Ching-Hsiu Li; Yao-Ting Wu","Synthesis and Structural Analysis of a Highly Curved Buckybowl Containing Corannulene and Sumanene Fragments","Journal of the American Chemical Society","2011","133","","16319","16321","10.1021/ja2067725","","","0.71073","MoKα","","0.0414","0.0328","","","0.077","0.0819","","","","","","1.051","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4106962","20.405","0.012","23.455","0.014","7.762","0.004","90","","90","","90","","3715","4","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C30 H16 -","- C30 H16 -","- C240 H128 -","8","2","","Tsun-Cheng Wu; Hsin-Ju Hsin; Ming-Yu Kuo; Ching-Hsiu Li; Yao-Ting Wu","Synthesis and Structural Analysis of a Highly Curved Buckybowl Containing Corannulene and Sumanene Fragments","Journal of the American Chemical Society","2011","133","","16319","16321","10.1021/ja2067725","","","0.71073","MoKα","","0.103","0.0643","","","0.1613","0.1941","","","","","","1.034","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106963","26.1743","0.0006","19.2424","0.0005","29.4693","0.0006","90","","98.154","0.001","90","","14692.3","0.6","173","2","173","2","","","","","","","synthesis as described","8","P 1 21/a 1","-P 2yab","14","TLC127 CH2Cl2/Et2O","","","- C60 H72 Ag2 Au2 F22 I4 N2 O4 -","- C60 H72 Ag2 Au2 F22 I4 N2 O4 -","- C480 H576 Ag16 Au16 F176 I32 N16 O32 -","8","2","","Tania Lasanta; M. Elena Olmos; Antonio Laguna; José M. López-de-Luzuriaga; Panče Naumov","Making the Golden Connection: Reversible Mechanochemical and Vapochemical Switching of Luminescence from Bimetallic Gold-Silver Clusters Associated through Aurophilic Interactions","Journal of the American Chemical Society","2011","133","","16358","16361","10.1021/ja206845s","","x-ray","0.71073","MoKα","","0.154","0.0583","","","0.0726","0.0917","","","","","","1.011","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106964","16.6596","0.0004","16.748","0.0005","30.2716","0.0007","82.674","0.001","84.783","0.001","61.23","0.001","7338.9","0.3","120","2","120","2","","","","","","","synthesis as described","9","P -1","-P 1","2","TLC 124 (thf/hx)","","","- C58 H76 Ag2 Au2 Cl2 F16 I4 N2 O8.5 -","- C58 H76 Ag2 Au2 Cl2 F16 I4 N2 O8.5 -","- C232 H304 Ag8 Au8 Cl8 F64 I16 N8 O34 -","4","2","","Tania Lasanta; M. Elena Olmos; Antonio Laguna; José M. López-de-Luzuriaga; Panče Naumov","Making the Golden Connection: Reversible Mechanochemical and Vapochemical Switching of Luminescence from Bimetallic Gold-Silver Clusters Associated through Aurophilic Interactions","Journal of the American Chemical Society","2011","133","","16358","16361","10.1021/ja206845s","","x-ray","0.71073","MoKα","","0.1038","0.0672","","","0.1863","0.2381","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106965","7.695","0.0016","15.938","0.004","16.894","0.004","90","","90","","90","","2071.9","0.8","293","2","293","2","","","","","","","","7","P n n n :2","-P 2ab 2bc","48","","","","- C14 H3 Ag Au F8 I2 N -","- C14 H3 Ag Au F8 I2 N -","- C56 H12 Ag4 Au4 F32 I8 N4 -","4","0.5","","Tania Lasanta; M. Elena Olmos; Antonio Laguna; José M. López-de-Luzuriaga; Panče Naumov","Making the Golden Connection: Reversible Mechanochemical and Vapochemical Switching of Luminescence from Bimetallic Gold-Silver Clusters Associated through Aurophilic Interactions","Journal of the American Chemical Society","2011","133","","16358","16361","10.1021/ja206845s","","","0.71073","MoKα","","0.0398","0.0283","","","0.0746","0.082","","","","","","1.052","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106966","11.0028","0.0013","11.2698","0.0018","16.858","0.003","77.318","0.01","79.42","0.009","60.821","0.006","1773.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 Fe P3 Si -","- C36 H54 Fe P3 Si -","- C72 H108 Fe2 P6 Si2 -","2","1","","Yunho Lee; R. Adam Kinney; Brian M. Hoffman; Jonas C. Peters","A Nonclassical Dihydrogen Adduct of S=1/2 Fe(I)","Journal of the American Chemical Society","2011","133","","16366","16369","10.1021/ja207003m","","","1.54178","CuKα","","0.0615","0.053","","","0.1452","0.1508","","","","","","1.121","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106967","11.0008","0.0005","11.2664","0.0006","16.8497","0.0008","92.527","0.001","100.465","0.001","119.164","0.001","1771.76","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 Fe P3 Si -","- C36 H54 Fe P3 Si -","- C72 H108 Fe2 P6 Si2 -","2","1","","Yunho Lee; R. Adam Kinney; Brian M. Hoffman; Jonas C. Peters","A Nonclassical Dihydrogen Adduct of S=1/2 Fe(I)","Journal of the American Chemical Society","2011","133","","16366","16369","10.1021/ja207003m","","","0.71073","MoKα","","0.0473","0.0326","","","0.0812","0.0874","","","","","","1.095","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106968","36.6124","0.0008","11.7648","0.0002","17.2209","0.0003","90","","104.186","0.001","90","","7191.5","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H55 Fe N2 P3 Si -","- C36 H55 Fe N2 P3 Si -","- C288 H440 Fe8 N16 P24 Si8 -","8","1","","Yunho Lee; R. Adam Kinney; Brian M. Hoffman; Jonas C. Peters","A Nonclassical Dihydrogen Adduct of S=1/2 Fe(I)","Journal of the American Chemical Society","2011","133","","16366","16369","10.1021/ja207003m","","","1.54178","CuKα","","0.0291","0.0283","","","0.074","0.0746","","","","","","1.041","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106969","18.066","0.013","13.115","0.009","21.94","0.016","90","","106.26","0.01","90","","4990","6","138","2","138","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H60 B P3 Ru Si -","- C59 H60 B P3 Ru Si -","- C236 H240 B4 P12 Ru4 Si4 -","4","1","","Mark C. Lipke; T. Don Tilley","High Electrophilicity at Silicon in η3-Silane σ-Complexes: Lewis Base Adducts of a Silane Ligand, Featuring Octahedral Silicon and Three Ru-H-Si Interactions","Journal of the American Chemical Society","2011","133","","16374","16377","10.1021/ja207169e","","","0.71073","MoKα","","0.0947","0.0517","","","0.1216","0.1423","","","","","","1.181","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106970","13.4177","0.0016","24.646","0.003","20.125","0.002","90","","95.752","0.003","90","","6621.7","1.3","158","2","158","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71 H71 B N2 P3 Ru Si -","- C71 H71 B N2 P3 Ru Si -","- C284 H284 B4 N8 P12 Ru4 Si4 -","4","1","","Mark C. Lipke; T. Don Tilley","High Electrophilicity at Silicon in η3-Silane σ-Complexes: Lewis Base Adducts of a Silane Ligand, Featuring Octahedral Silicon and Three Ru-H-Si Interactions","Journal of the American Chemical Society","2011","133","","16374","16377","10.1021/ja207169e","","","0.71073","MoKα","","0.0454","0.0409","","","0.0976","0.0998","","","","","","1.135","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106971","14.1289","0.0008","20.8168","0.0012","16.9097","0.001","90","","90.946","0.001","90","","4972.8","0.5","138","2","138","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H58 B Cl P4 Ru Si -","- C54 H58 B Cl P4 Ru Si -","- C216 H232 B4 Cl4 P16 Ru4 Si4 -","4","1","","Mark C. Lipke; T. Don Tilley","High Electrophilicity at Silicon in η3-Silane σ-Complexes: Lewis Base Adducts of a Silane Ligand, Featuring Octahedral Silicon and Three Ru-H-Si Interactions","Journal of the American Chemical Society","2011","133","","16374","16377","10.1021/ja207169e","","","0.71073","MoKα","","0.063","0.0414","","","0.0921","0.1054","","","","","","1.057","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106972","9.2095","0.0004","11.1209","0.0004","9.1577","0.0003","90","","110.026","0.0015","90","","881.2","0.06","150","","150","","","","","","","","synthetic","4","P 1 21/c 1","-P 2ybc","14","","6-Bromo-2,3-dimethoxyphenol","","- C8 H9 Br O3 -","- C8 H9 Br O3 -","- C32 H36 Br4 O12 -","4","1","","Donohoe, Timothy J.; Jones, Christopher R.; Barbosa, Luiz C. A.","Total Synthesis of (±)-Streptonigrin: De Novo Construction of a Pentasubstituted Pyridine using Ring-Closing Metathesis","Journal of the American Chemical Society","2011","133","41","16418","16421","10.1021/ja207835w","","","0.71073","MoKα","","0.0309","0.0267","","0.0636","0.0609","0.0636","","","","","","0.9017","","","","has coordinates","210874","2020-10-21","18:00:00",""
"4106973","9.4956","0.0003","12.5285","0.0005","21.3048","0.0007","90","","95.4317","0.0018","90","","2523.16","0.15","150","","150","","","","","","","","synthetic","6","C 1 2/c 1","-C 2yc","15","","Methyl 5-amino-3-methyl-6-(trifluoromethylsulfonyloxy)picolinate","","- C9 H9 F3 N2 O5 S -","- C9 H9 F3 N2 O5 S -","- C72 H72 F24 N16 O40 S8 -","8","1","","Donohoe, Timothy J.; Jones, Christopher R.; Barbosa, Luiz C. A.","Total Synthesis of (±)-Streptonigrin: De Novo Construction of a Pentasubstituted Pyridine using Ring-Closing Metathesis","Journal of the American Chemical Society","2011","133","41","16418","16421","10.1021/ja207835w","","","0.71073","MoKα","","0.0755","0.0468","","0.1199","0.1064","0.1199","","","","","","0.9341","","","","has coordinates","210874","2020-10-21","18:00:00",""
"4106974","11.9561","0.0005","12.5574","0.0005","23.2405","0.001","90","","90","","90","","3489.3","0.3","88","2","88","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H45 Br O5 Si -","- C28 H45 Br O5 Si -","- C112 H180 Br4 O20 Si4 -","4","1","","Martin J. Schnermann; Larry E. Overman","Enantioselective Total Synthesis of Aplyviolene","Journal of the American Chemical Society","2011","133","","16425","16427","10.1021/ja208018s","","","0.71073","MoKα","","0.0558","0.0481","","","0.1417","0.1466","","","","","","1.075","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106975","11.5868","0.0011","16.3974","0.0016","21.272","0.002","90","","90","","90","","4041.5","0.7","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H36 Cl F3 Ni P2 -","- C51.001 H36 Cl F3.003 Ni P2 -","- C204.004 H144 Cl4 F12.012 Ni4 P8 -","4","1","","Shaozhong Ge; John F. Hartwig","Nickel-Catalyzed Asymmetric α-Arylation and Heteroarylation of Ketones with Chloroarenes: Effect of Halide on Selectivity, Oxidation State, and Room-Temperature Reactions","Journal of the American Chemical Society","2011","133","","16330","16333","10.1021/ja2082087","","","0.71073","MoKα","","0.0385","0.0313","","","0.0723","0.0754","","","","","","1.04","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106976","10.764","0.003","11.55","0.003","17.936","0.004","90","","93.857","0.003","90","","2224.8","1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H45 N Ni P2 -","- C58 H45 N Ni P2 -","- C116 H90 N2 Ni2 P4 -","2","1","","Shaozhong Ge; John F. Hartwig","Nickel-Catalyzed Asymmetric α-Arylation and Heteroarylation of Ketones with Chloroarenes: Effect of Halide on Selectivity, Oxidation State, and Room-Temperature Reactions","Journal of the American Chemical Society","2011","133","","16330","16333","10.1021/ja2082087","","","0.71073","MoKα","","0.038","0.034","","","0.0894","0.0926","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106977","13.9103","0.0005","13.9103","0.0005","35.535","0.003","90","","90","","90","","6875.9","0.7","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C88 H64 Cl2 Ni2 P4 -","- C88 H64 Cl2 Ni2 P4 -","- C352 H256 Cl8 Ni8 P16 -","4","0.5","","Shaozhong Ge; John F. Hartwig","Nickel-Catalyzed Asymmetric α-Arylation and Heteroarylation of Ketones with Chloroarenes: Effect of Halide on Selectivity, Oxidation State, and Room-Temperature Reactions","Journal of the American Chemical Society","2011","133","","16330","16333","10.1021/ja2082087","","","1.54178","CuKα","","0.0459","0.0358","","","0.0777","0.0815","","","","","","1.032","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106978","13.915","0.0002","13.915","0.0002","35.875","0.0008","90","","90","","90","","6946.4","0.2","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C88 H64 Br2 Ni2 P4 -","- C88 H64 Br2 Ni2 P4 -","- C352 H256 Br8 Ni8 P16 -","4","0.5","","Shaozhong Ge; John F. Hartwig","Nickel-Catalyzed Asymmetric α-Arylation and Heteroarylation of Ketones with Chloroarenes: Effect of Halide on Selectivity, Oxidation State, and Room-Temperature Reactions","Journal of the American Chemical Society","2011","133","","16330","16333","10.1021/ja2082087","","","1.54178","CuKα","","0.0356","0.034","","","0.0911","0.0923","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106979","38.2242","0.0015","10.3105","0.0004","11.7769","0.0005","90","","93.41","0.001","90","","4633.2","0.3","120","","120","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H27 F5 Si3 -","- C19 H27 F5 Si3 -","- C152 H216 F40 Si24 -","8","2","","Yusuke Inagaki; Masaaki Nakamoto; Akira Sekiguchi","Photoisomerization of Perfluoroaryltetrahedranes to Perfluoroarylcyclobutadienes","Journal of the American Chemical Society","2011","133","","16436","16439","10.1021/ja208354x","","","0.71073","MoKα","","0.0285","0.0269","","","0.0662","0.0673","","","","","","1.011","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106980","8.9064","0.00016","9.63387","0.00018","22.8974","0.0004","90","","90","","90","","1964.67","0.06","93.1","","93","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 F O Si -","- C25 H23 F O Si -","- C100 H92 F4 O4 Si4 -","4","1","","Ryo Shintani; Kohei Moriya; Tamio Hayashi","Palladium-Catalyzed Enantioselective Desymmetrization of Silacyclobutanes: Construction of Silacycles Possessing a Tetraorganosilicon Stereocenter","Journal of the American Chemical Society","2011","133","","16440","16443","10.1021/ja208621x","","","1.54187","CuKα","","","0.0435","","","","0.0625","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106981","8.60096","0.00017","9.3243","0.0002","14.184","0.0003","81.4897","0.0015","72.9482","0.0013","77.9686","0.0013","1059.03","0.04","93.1","","93","1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 B O3 Si -","- C25 H27 B O3 Si -","- C50 H54 B2 O6 Si2 -","2","1","","Ryo Shintani; Kohei Moriya; Tamio Hayashi","Palladium-Catalyzed Enantioselective Desymmetrization of Silacyclobutanes: Construction of Silacycles Possessing a Tetraorganosilicon Stereocenter","Journal of the American Chemical Society","2011","133","","16440","16443","10.1021/ja208621x","","","1.54187","CuKα","","","0.0656","","","","0.0968","","","","","","0.946","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106982","16.493","0.002","6.9716","0.0009","17.778","0.002","90","","116.838","0.003","90","","1824","0.4","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cl Fe N4 O4 -","- C16 H20 Cl Fe N4 O4 -","- C64 H80 Cl4 Fe4 N16 O16 -","4","1","","Timothy C. Berto; Melissa B. Hoffman; Yuki Murata; Kira B. Landenberger; E. Ercan Alp; Jiyong Zhao; Nicolai Lehnert","Structural and Electronic Characterization of Non-Heme Fe(II)-Nitrosyls as Biomimetic Models of the FeB Center of Bacterial Nitric Oxide Reductase","Journal of the American Chemical Society","2011","133","","16714","16717","10.1021/ja111693f","","","0.71073","MoKα","","0.033","0.0285","","","0.076","0.0794","","","","","","1.052","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106983","20.0612","0.0003","20.0612","0.0003","81.585","0.006","90","","90","","120","","28435","2","85","2","85","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C270 H288 Cl10 Fe18 N72 O94 -","- C270 H288 Cl10 Fe18 N72 O94.04 -","- C810 H864 Cl30 Fe54 N216 O282.12 -","3","0.166667","","Timothy C. Berto; Melissa B. Hoffman; Yuki Murata; Kira B. Landenberger; E. Ercan Alp; Jiyong Zhao; Nicolai Lehnert","Structural and Electronic Characterization of Non-Heme Fe(II)-Nitrosyls as Biomimetic Models of the FeB Center of Bacterial Nitric Oxide Reductase","Journal of the American Chemical Society","2011","133","","16714","16717","10.1021/ja111693f","","","1.54178","CuKα","","0.0885","0.073","","","0.2091","0.2205","","","","","","1.045","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106984","13.3105","0.0006","14.7822","0.0006","16.8328","0.0012","104.135","0.007","92.301","0.006","102.284","0.007","3123.3","0.3","95","2","95","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H98 F18 Fe6 N24 O37 S6 -","- C96 H96 F18 Fe6 N24 O37 S6 -","- C96 H96 F18 Fe6 N24 O37 S6 -","1","0.5","","Timothy C. Berto; Melissa B. Hoffman; Yuki Murata; Kira B. Landenberger; E. Ercan Alp; Jiyong Zhao; Nicolai Lehnert","Structural and Electronic Characterization of Non-Heme Fe(II)-Nitrosyls as Biomimetic Models of the FeB Center of Bacterial Nitric Oxide Reductase","Journal of the American Chemical Society","2011","133","","16714","16717","10.1021/ja111693f","","","1.54187","CuKα","","0.1635","0.107","","","0.2475","0.2819","","","","","","1.134","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106985","26.307","0.002","26.307","0.002","26.307","0.002","90","","90","","90","","18206","2","173","2","173","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C77 H30 Cu13 N1.25 O110.56 P W11 -","- C76.96 H29.76 Cu12.96 N1.25 O110.56 P W11.04 -","- C307.84 H119.04 Cu51.84 N5 O442.24 P4 W44.16 -","4","0.0208333","","Jie Song; Zhen Luo; David K. Britt; Hiroyasu Furukawa; Omar M. Yaghi; Kenneth I. Hardcastle; Craig L. Hill","A Multiunit Catalyst with Synergistic Stability and Reactivity: A Polyoxometalate-Metal Organic Framework for Aerobic Decontamination","Journal of the American Chemical Society","2011","133","","16839","16846","10.1021/ja203695h","","","0.71073","MoKα","","0.0872","0.0567","","","0.1788","0.2468","","","","","","1.04","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106986","25.108","0.005","15.372","0.003","20.633","0.004","90","","94.469","0.002","90","","7939","3","120","2","120","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm2@C88.Ni(OEP).2toluene D2(No. 35)","","","- C138 H60 N4 Ni Sm2 -","- C138.88 H60 N4 Ni Sm2 -","- C555.52 H240 N16 Ni4 Sm8 -","4","0.5","","Hua Yang; Hongxiao Jin; Bo Hong; Ziyang Liu; Christine M. Beavers; Hongyu Zhen; Zhimin Wang; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Large Endohedral Fullerenes Containing Two Metal Ions, Sm2@D2(35)-C88, Sm2@C1(21)-C90, and Sm2@D3(85)-C92, and Their Relationship to Endohedral Fullerenes Containing Two Gadolinium Ions","Journal of the American Chemical Society","2011","133","","16911","16919","10.1021/ja206244w","","","0.6889","synchrotron","","0.0652","0.0604","","","0.1661","0.1709","","","","","","1.048","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106987","25.442","0.0013","15.4299","0.0008","20.6732","0.0011","90","","95.291","0.005","90","","8081","0.7","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm2@C1(21)-C90.Ni(OEP).2toluene","","","- C140 H60 N4 Ni Sm2 -","- C136.5 H57 N4 Ni Sm2.02 -","- C546 H228 N16 Ni4 Sm8.08 -","4","0.5","","Hua Yang; Hongxiao Jin; Bo Hong; Ziyang Liu; Christine M. Beavers; Hongyu Zhen; Zhimin Wang; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Large Endohedral Fullerenes Containing Two Metal Ions, Sm2@D2(35)-C88, Sm2@C1(21)-C90, and Sm2@D3(85)-C92, and Their Relationship to Endohedral Fullerenes Containing Two Gadolinium Ions","Journal of the American Chemical Society","2011","133","","16911","16919","10.1021/ja206244w","","","0.7749","synchrotron","","0.1121","0.1022","","","0.2917","0.3027","","","","","","1.047","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106988","25.587","0.0009","14.9402","0.0006","21.3995","0.0007","90","","97.638","0.002","90","","8107.9","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Sm2@C92.NiOEP.2chlorobenzene D3(No. 85)","","","- C140 H54 Cl2 N4 Ni Sm2 -","- C142 H54 Cl2 N4 Ni Sm2.02 -","- C568 H216 Cl8 N16 Ni4 Sm8.08 -","4","0.5","","Hua Yang; Hongxiao Jin; Bo Hong; Ziyang Liu; Christine M. Beavers; Hongyu Zhen; Zhimin Wang; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Large Endohedral Fullerenes Containing Two Metal Ions, Sm2@D2(35)-C88, Sm2@C1(21)-C90, and Sm2@D3(85)-C92, and Their Relationship to Endohedral Fullerenes Containing Two Gadolinium Ions","Journal of the American Chemical Society","2011","133","","16911","16919","10.1021/ja206244w","","","0.7749","synchrotron","","0.0636","0.0473","","","0.1282","0.1412","","","","","","1.017","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106989","10.661","0.005","12.575","0.006","12.995","0.006","101.54","0.006","109.121","0.006","108.587","0.006","1467.2","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H66 Mn6 N19 -","- C58 H66 Mn6 N19 -","- C58 H66 Mn6 N19 -","1","0.5","","Alison R. Fout; Qinliang Zhao; Dianne J. Xiao; Theodore A. Betley","Oxidative Atom-Transfer to a Trimanganese Complex To Form Mn6(μ6-E) (E = O, N) Clusters Featuring Interstitial Oxide and Nitride Functionalities","Journal of the American Chemical Society","2011","133","","16750","16753","10.1021/ja2066384","","","0.71073","MoKα","","0.1455","0.0706","","","0.1755","0.2051","","","","","","0.977","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106990","12.401","0.002","13.0834","0.0016","13.8401","0.0014","73.935","0.007","77.584","0.007","62.279","0.006","1900.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H56 Mn3 N6 O4 -","- C39 H56 Mn3 N6 O4 -","- C78 H112 Mn6 N12 O8 -","2","1","","Alison R. Fout; Qinliang Zhao; Dianne J. Xiao; Theodore A. Betley","Oxidative Atom-Transfer to a Trimanganese Complex To Form Mn6(μ6-E) (E = O, N) Clusters Featuring Interstitial Oxide and Nitride Functionalities","Journal of the American Chemical Society","2011","133","","16750","16753","10.1021/ja2066384","","","0.71073","MoKα","","0.0647","0.0435","","","0.1049","0.1173","","","","","","1.033","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106991","10.6564","0.0013","12.5789","0.0015","12.9979","0.0016","101.538","0.002","109.132","0.002","108.614","0.002","1466.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H66 Mn6 N18 O -","- C58 H66 Mn6 N18 O -","- C58 H66 Mn6 N18 O -","1","0.5","","Alison R. Fout; Qinliang Zhao; Dianne J. Xiao; Theodore A. Betley","Oxidative Atom-Transfer to a Trimanganese Complex To Form Mn6(μ6-E) (E = O, N) Clusters Featuring Interstitial Oxide and Nitride Functionalities","Journal of the American Chemical Society","2011","133","","16750","16753","10.1021/ja2066384","","","0.71073","MoKα","","0.052","0.0382","","","0.0891","0.0957","","","","","","1.022","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106992","20.907","0.0016","16.1996","0.0016","24.338","0.002","90","","90.638","0.002","90","","8242.4","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C82 H126 Mn6 N17 -","- C82 H126 Mn6 N17 -","- C328 H504 Mn24 N68 -","4","0.5","","Alison R. Fout; Qinliang Zhao; Dianne J. Xiao; Theodore A. Betley","Oxidative Atom-Transfer to a Trimanganese Complex To Form Mn6(μ6-E) (E = O, N) Clusters Featuring Interstitial Oxide and Nitride Functionalities","Journal of the American Chemical Society","2011","133","","16750","16753","10.1021/ja2066384","","","0.71073","MoKα","","0.0501","0.0372","","","0.0952","0.1021","","","","","","1.081","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106993","14.0111","0.0016","14.0448","0.0016","15.648","0.003","95.488","0.002","103.923","0.002","116.907","0.002","2589.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C114 H156 Mn6 N15 -","- C114 H156 Mn6 N15 -","- C114 H156 Mn6 N15 -","1","0.5","","Alison R. Fout; Qinliang Zhao; Dianne J. Xiao; Theodore A. Betley","Oxidative Atom-Transfer to a Trimanganese Complex To Form Mn6(μ6-E) (E = O, N) Clusters Featuring Interstitial Oxide and Nitride Functionalities","Journal of the American Chemical Society","2011","133","","16750","16753","10.1021/ja2066384","","","0.71073","MoKα","","0.0894","0.0482","","","0.1004","0.115","","","","","","0.981","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106994","9.387","0.0004","16.209","0.0004","15.153","0.0005","90","","97.63","0.002","90","","2285.17","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Br Cl2 P S2 -","- C22 H18 Br Cl2 P S2 -","- C88 H72 Br4 Cl8 P4 S8 -","4","1","","Yi Ren; Wang Hay Kan; Matthew A. Henderson; Paolo G. Bomben; Curtis P. Berlinguette; Venkataraman Thangadurai; Thomas Baumgartner","External-Stimuli Responsive Photophysics and Liquid Crystal Properties of Self-Assembled ""Phosphole-Lipids""","Journal of the American Chemical Society","2011","133","","17014","17026","10.1021/ja206784f","","","0.71073","MoKα","","0.0811","0.0579","","","0.1224","0.1404","","","","","","1.088","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106995","10.435","0.0003","18.348","0.0005","12.507","0.0004","90","","102.31","0.002","90","","2339.55","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Br Cl3 P S2 -","- C22 H17 Br Cl3 P S2 -","- C88 H68 Br4 Cl12 P4 S8 -","4","1","","Yi Ren; Wang Hay Kan; Matthew A. Henderson; Paolo G. Bomben; Curtis P. Berlinguette; Venkataraman Thangadurai; Thomas Baumgartner","External-Stimuli Responsive Photophysics and Liquid Crystal Properties of Self-Assembled ""Phosphole-Lipids""","Journal of the American Chemical Society","2011","133","","17014","17026","10.1021/ja206784f","","","0.71073","MoKα","","0.0656","0.0463","","","0.0848","0.0955","","","","","","1.091","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106996","10.1647","0.0004","10.5937","0.0004","14.4332","0.0006","76.103","0.001","71.008","0.001","82.129","0.001","1423.64","0.1","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H44 O2 P2 Pd -","- C28 H44 O2 P2 Pd -","- C56 H88 O4 P4 Pd2 -","2","1","","Ruwei Shen; Tieqiao Chen; Yalei Zhao; Renhua Qiu; Yongbo Zhou; Shuangfeng Yin; Xiangbo Wang; Midori Goto; Li-Biao Han","Facile Regio- and Stereoselective Hydrometalation of Alkynes with a Combination of Carboxylic Acids and Group 10 Transition Metal Complexes: Selective Hydrogenation of Alkynes with Formic Acid","Journal of the American Chemical Society","2011","133","","17037","17044","10.1021/ja2069246","","","0.71073","MoKα","","0.0205","0.0189","","","0.0553","0.0586","","","","","","0.708","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106997","15.9093","0.001","18.9722","0.0012","16.9307","0.0011","90","","105.939","0.001","90","","4913.8","0.5","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 O2 P2 Pd -","- C22 H40 O2 P2 Pd -","- C176 H320 O16 P16 Pd8 -","8","2","","Ruwei Shen; Tieqiao Chen; Yalei Zhao; Renhua Qiu; Yongbo Zhou; Shuangfeng Yin; Xiangbo Wang; Midori Goto; Li-Biao Han","Facile Regio- and Stereoselective Hydrometalation of Alkynes with a Combination of Carboxylic Acids and Group 10 Transition Metal Complexes: Selective Hydrogenation of Alkynes with Formic Acid","Journal of the American Chemical Society","2011","133","","17037","17044","10.1021/ja2069246","","","0.71073","MoKα","","0.063","0.0477","","","0.1207","0.1306","","","","","","0.992","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106998","13.9737","0.0019","14.2809","0.0019","14.517","0.002","90","","93.566","0.001","90","","2891.4","0.7","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Ni O2 P2 -","- C28 H44 Ni O2 P2 -","- C112 H176 Ni4 O8 P8 -","4","1","","Ruwei Shen; Tieqiao Chen; Yalei Zhao; Renhua Qiu; Yongbo Zhou; Shuangfeng Yin; Xiangbo Wang; Midori Goto; Li-Biao Han","Facile Regio- and Stereoselective Hydrometalation of Alkynes with a Combination of Carboxylic Acids and Group 10 Transition Metal Complexes: Selective Hydrogenation of Alkynes with Formic Acid","Journal of the American Chemical Society","2011","133","","17037","17044","10.1021/ja2069246","","","0.71073","MoKα","","0.0271","0.0239","","","0.0657","0.0681","","","","","","1.011","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106999","14.1343","0.0006","14.1858","0.0006","14.6658","0.0006","90","","92.962","0.001","90","","2936.7","0.2","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 O2 P2 Pt -","- C28 H44 O2 P2 Pt -","- C112 H176 O8 P8 Pt4 -","4","1","","Ruwei Shen; Tieqiao Chen; Yalei Zhao; Renhua Qiu; Yongbo Zhou; Shuangfeng Yin; Xiangbo Wang; Midori Goto; Li-Biao Han","Facile Regio- and Stereoselective Hydrometalation of Alkynes with a Combination of Carboxylic Acids and Group 10 Transition Metal Complexes: Selective Hydrogenation of Alkynes with Formic Acid","Journal of the American Chemical Society","2011","133","","17037","17044","10.1021/ja2069246","","","0.71073","MoKα","","0.0172","0.0142","","","0.036","0.0372","","","","","","0.965","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4107000","11.0719","0.0003","11.0719","0.0003","23.9032","0.0007","90","","90","","90","","2930.22","0.14","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C30 H24 Cl2 O6 P2 Pd -","- C30 H24 Cl2 O6 P2 Pd -","- C120 H96 Cl8 O24 P8 Pd4 -","4","0.5","","Laura A. Brozek; Michael J. Ardolino; James P. Morken","Diastereocontrol in Asymmetric Allyl-Allyl Cross-Coupling: Stereocontrolled Reaction of Prochiral Allylboronates with Prochiral Allyl Chlorides","Journal of the American Chemical Society","2011","133","","16778","16781","10.1021/ja2075967","","","0.71073","MoKα","","0.0149","0.0145","","","0.0376","0.0378","","","","","","1.119","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107001","9.079","0.003","11.802","0.004","13.768","0.005","80.007","0.006","72.445","0.006","87.753","0.006","1385.1","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H39 B Mg N4 O3 -","- C25 H39 B Mg N4 O3 -","- C50 H78 B2 Mg2 N8 O6 -","2","1","","James F. Dunne; Steven R. Neal; Joshua Engelkemier; Arkady Ellern; Aaron D. Sadow","Tris(oxazolinyl)boratomagnesium-Catalyzed Cross-Dehydrocoupling of Organosilanes with Amines, Hydrazine, and Ammonia","Journal of the American Chemical Society","2011","133","","16782","16785","10.1021/ja207641b","","","0.71073","MoKα","","0.1","0.0813","","","0.2167","0.2276","","","","","","1.141","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107002","27.165","0.004","13.745","0.002","46.162","0.007","90","","90","","90","","17236","4","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C82 H60 I6 N16 O8 Zn3 -","- C82 H60 I6 N16 O8 Zn3 -","- C656 H480 I48 N128 O64 Zn24 -","8","1","","Koki Ikemoto; Yasuhide Inokuma; Makoto Fujita","Diels-Alder via Molecular Recognition in a Crystalline Molecular Flask","Journal of the American Chemical Society","2011","133","","16806","16808","10.1021/ja2079064","","","0.71073","MoKα","","0.0944","0.0556","","","0.1251","0.1445","","","","","","0.93","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107003","27.249","0.006","13.798","0.003","44.834","0.01","90","","90","","90","","16857","6","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H47 I6 N13 O3 Zn3 -","- C64 H47 I6 N13 O3 Zn3 -","- C512 H376 I48 N104 O24 Zn24 -","8","1","","Koki Ikemoto; Yasuhide Inokuma; Makoto Fujita","Diels-Alder via Molecular Recognition in a Crystalline Molecular Flask","Journal of the American Chemical Society","2011","133","","16806","16808","10.1021/ja2079064","","","0.71073","MoKα","","0.13","0.0986","","","0.3159","0.3358","","","","","","1.276","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107004","27.11","0.005","13.785","0.003","45.814","0.009","90","","90","","90","","17121","6","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C81 H81 I6 N13 O2 Zn3 -","- C81 H81 I6 N13 O2 Zn3 -","- C648 H648 I48 N104 O16 Zn24 -","8","1","","Koki Ikemoto; Yasuhide Inokuma; Makoto Fujita","Diels-Alder via Molecular Recognition in a Crystalline Molecular Flask","Journal of the American Chemical Society","2011","133","","16806","16808","10.1021/ja2079064","","","0.71073","MoKα","","0.1244","0.0997","","","0.3464","0.3681","","","","","","1.516","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107005","28.147","0.003","13.8926","0.0013","44.028","0.004","90","","90","","90","","17216","3","90","2","90","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C67 H50 Cl4 I6 N14 O4 Zn3 -","- C67 H50 Cl4 I6 N14 O4 Zn3 -","- C536 H400 Cl32 I48 N112 O32 Zn24 -","8","1","","Koki Ikemoto; Yasuhide Inokuma; Makoto Fujita","Diels-Alder via Molecular Recognition in a Crystalline Molecular Flask","Journal of the American Chemical Society","2011","133","","16806","16808","10.1021/ja2079064","","","0.71073","MoKα","","0.0824","0.0653","","","0.2557","0.2799","","","","","","1.203","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107006","9.052","0.002","9.299","0.002","17.014","0.004","102.904","0.01","90.446","0.011","108.182","0.009","1321.6","0.5","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H52 B3 N6 P -","- C18 H52 B3 N6 P -","- C36 H104 B6 N12 P2 -","2","1","","William C. Ewing; Allegra Marchione; Daniel W. Himmelberger; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of Anionic Borane-Capped Ammonia Borane Oligomers: Evidence for Ammonia Borane H2 Release via a Base-Promoted Anionic Dehydropolymerization Mechanism","Journal of the American Chemical Society","2011","133","","17093","17099","10.1021/ja207971h","","","0.71073","MoKα","","0.0348","0.0314","","","0.079","0.0824","","","","","","0.923","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107007","17.8873","0.0008","10.4153","0.0005","15.554","0.0007","90","","101.029","0.002","90","","2844.2","0.2","143","1","143","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H56 B4 N7 P -","- C18 H56 B4 N7 P -","- C72 H224 B16 N28 P4 -","4","1","","William C. Ewing; Allegra Marchione; Daniel W. Himmelberger; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of Anionic Borane-Capped Ammonia Borane Oligomers: Evidence for Ammonia Borane H2 Release via a Base-Promoted Anionic Dehydropolymerization Mechanism","Journal of the American Chemical Society","2011","133","","17093","17099","10.1021/ja207971h","","","0.71073","MoKα","","0.0367","0.0315","","","0.0791","0.0829","","","","","","0.99","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107008","8.3185","0.0015","10.2544","0.0019","36.74","0.006","85.455","0.009","87.606","0.008","66.52","0.008","2865.3","0.9","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H56 B4 N7 P -","- C18 H56 B4 N7 P -","- C72 H224 B16 N28 P4 -","4","2","","William C. Ewing; Allegra Marchione; Daniel W. Himmelberger; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of Anionic Borane-Capped Ammonia Borane Oligomers: Evidence for Ammonia Borane H2 Release via a Base-Promoted Anionic Dehydropolymerization Mechanism","Journal of the American Chemical Society","2011","133","","17093","17099","10.1021/ja207971h","","","0.71073","MoKα","","0.057","0.0485","","","0.1223","0.1294","","","","","","0.98","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107009","9.8858","0.0002","8.2382","0.0001","13.6521","0.0002","90","","93.48","0.001","90","","1109.79","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H22 N2 O5 -","- C27 H22 N2 O5 -","- C54 H44 N4 O10 -","2","1","","Chandra Kanta De; Nisha Mittal; Daniel Seidel","A Dual-Catalysis Approach to the Asymmetric Steglich Rearrangement and Catalytic Enantioselective Addition of O-Acylated Azlactones to Isoquinolines","Journal of the American Chemical Society","2011","133","","16802","16805","10.1021/ja208156z","","","1.54178","CuKα","","0.0308","0.0298","","","0.0728","0.0734","","","","","","1.006","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107010","10.79","0.002","19.669","0.005","12.151","0.003","90","","114.153","0.005","90","","2353","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H21 Br N2 O5 -","- C27 H21 Br N2 O5 -","- C108 H84 Br4 N8 O20 -","4","2","","Chandra Kanta De; Nisha Mittal; Daniel Seidel","A Dual-Catalysis Approach to the Asymmetric Steglich Rearrangement and Catalytic Enantioselective Addition of O-Acylated Azlactones to Isoquinolines","Journal of the American Chemical Society","2011","133","","16802","16805","10.1021/ja208156z","","","0.71073","MoKα","","0.079","0.0578","","","0.1283","0.1384","","","","","","1.005","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107011","8.5896","0.0005","24.1922","0.0013","13.1944","0.0007","90","","99.382","0.001","90","","2705.1","0.3","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Cl2 N3 O6 Ti -","- C24 H33 Cl2 N3 O6 Ti -","- C96 H132 Cl8 N12 O24 Ti4 -","4","1","","Hagai Glasner; Edit Y. Tshuva","A Marked Synergistic Effect in Antitumor Activity of Salan Titanium(IV) Complexes Bearing Two Differently Substituted Aromatic Rings","Journal of the American Chemical Society","2011","133","","16812","16814","10.1021/ja208219f","","","0.71073","MoKα","","0.0689","0.0603","","","0.1354","0.1398","","","","","","1.172","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107012","12.803","0.003","24.319","0.007","18.623","0.005","90","","90","","90","","5798","3","173","2","173","2","","","","","","","","8","C 2 2 21","C 2c 2","20","09184","","","- C33 H72 Cl6 Cu3 F18 N6 P3 S2 -","- C33 H72 Cl6 Cu3 F18 N6 P3 S2 -","- C132 H288 Cl24 Cu12 F72 N24 P12 S8 -","4","0.5","","Ritimukta Sarangi; Lei Yang; Stuart G. Winikoff; Laura Gagliardi; Christopher J. Cramer; William B. Tolman; Edward I. Solomon","X-ray Absorption Spectroscopic and Computational Investigation of a Possible S...S Interaction in the [Cu3S2]3+ Core","Journal of the American Chemical Society","2011","133","","17180","17191","10.1021/ja111323m","","","0.71073","MoKα","","0.0841","0.0494","","","0.1193","0.1403","","","","","","1.1","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107013","8.502","0.004","12.948","0.006","17.246","0.008","90","","90.711","0.005","90","","1898.4","1.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","0.71073","MoKα","","0.0709","0.0439","","","0.1145","0.1336","","","","","","1.035","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107014","15.318","0.0004","11.4327","0.0003","16.0022","0.0004","90","","117.601","0.001","90","","2483.48","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O -","- C15 H17 N O -","- C120 H136 N8 O8 -","8","4","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0425","0.0419","","","0.115","0.1159","","","","","","1.072","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107015","15.3223","0.0005","11.4272","0.0003","16.0413","0.0005","90","","117.824","0.002","90","","2483.96","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O -","- C15 H17 N O -","- C120 H136 N8 O8 -","8","4","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0702","0.0687","","","0.1715","0.1724","","","","","","1.099","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107016","6.8746","0.0002","12.4881","0.0004","30.4034","0.0009","90","","90","","90","","2610.15","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O -","- C15 H17 N O -","- C120 H136 N8 O8 -","8","2","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0264","0.0261","","","0.0692","0.0695","","","","","","1.054","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107017","8.5768","0.0004","15.0166","0.0006","18.426","0.0008","90","","90","","90","","2373.17","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","1","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0423","0.0369","","","0.0992","0.1123","","","","","","1.212","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107018","17.601","0.01","6.388","0.004","18.243","0.01","90","","114.99","0.008","90","","1859.1","1.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","0.71073","MoKα","","0.09","0.0468","","","0.1082","0.1368","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107019","8.5144","0.0002","5.8077","0.0002","13.3132","0.0004","90","","108.292","0.001","90","","625.06","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O -","- C15 H17 N O -","- C30 H34 N2 O2 -","2","1","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0258","0.0257","","","0.0661","0.0663","","","","","","1.063","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107020","8.5149","0.001","5.8102","0.0007","13.3204","0.0016","90","","108.261","0.005","90","","625.82","0.13","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O -","- C15 H17 N O -","- C30 H34 N2 O2 -","2","1","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0279","0.0277","","","0.0711","0.0714","","","","","","1.069","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107021","13.5171","0.0003","12.5434","0.0003","25.7609","0.0005","90","","97.508","0.001","90","","4330.32","0.16","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H54 F6 N2 O10 Ru2 Sb -","- C38 H54 F6 N2 O10 Ru2 Sb -","- C152 H216 F24 N8 O40 Ru8 Sb4 -","4","0.5","","Mark Edwin Harvey; Djamaladdin G. Musaev; J. Du Bois","A Diruthenium Catalyst for Selective, Intramolecular Allylic C-H Amination: Reaction Development and Mechanistic Insight Gained through Experiment and Theory","Journal of the American Chemical Society","2011","133","","17207","17216","10.1021/ja203576p","","","0.71073","MoKα","","0.0215","0.019","","","0.0444","0.0456","","","","","","1.026","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107022","32.1203","0.001","10.609","0.0003","14.8811","0.0005","90","","107.915","0.003","90","","4825.1","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cl N5 O5 Ru2 -","- C23 H23 Cl N5 O5 Ru2 -","- C184 H184 Cl8 N40 O40 Ru16 -","8","1","","Mark Edwin Harvey; Djamaladdin G. Musaev; J. Du Bois","A Diruthenium Catalyst for Selective, Intramolecular Allylic C-H Amination: Reaction Development and Mechanistic Insight Gained through Experiment and Theory","Journal of the American Chemical Society","2011","133","","17207","17216","10.1021/ja203576p","","","0.71073","MoKα","","0.0397","0.0304","","","0.0768","0.0826","","","","","","1.043","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107023","12.0884","0.0006","12.5779","0.0006","20.5574","0.0009","99.33","0.002","96.38","0.002","108.261","0.002","2884.9","0.2","110","2","110","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C62 H101.5 B N P3 Ru -","- C62 H101.5 B N P3 Ru -","- C124 H203 B2 N2 P6 Ru2 -","2","1","","Yann Gloaguen; Gilles Alcaraz; Alban Petit; Eric Clot; Yannick Coppel; Laure Vendier; Sylviane Sabo-Etienne","Ruthenium Agostic (Phosphinoaryl)borane Complexes: Multinuclear Solid-State and Solution NMR, X-ray, and DFT Studies","Journal of the American Chemical Society","2011","133","","17232","17238","10.1021/ja203828r","","","0.71073","MoKα","","0.0481","0.0345","","","0.0812","0.0889","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107024","17.343","0.0004","10.0641","0.0007","14.1425","0.0006","90","","92.541","0.005","90","","2466","0.2","110","2","110","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 B N P -","- C24 H29 B N P -","- C96 H116 B4 N4 P4 -","4","1","","Yann Gloaguen; Gilles Alcaraz; Alban Petit; Eric Clot; Yannick Coppel; Laure Vendier; Sylviane Sabo-Etienne","Ruthenium Agostic (Phosphinoaryl)borane Complexes: Multinuclear Solid-State and Solution NMR, X-ray, and DFT Studies","Journal of the American Chemical Society","2011","133","","17232","17238","10.1021/ja203828r","","","0.71073","MoKα","","0.0609","0.0435","","","0.1262","0.135","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107025","59.31","0.005","25.141","0.003","31.05","0.004","90","","90","","90","","46299","9","150","","150","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C386.19 H350.19 Cl6.56 N30 Zn6 -","- C386.188 H350.188 Cl6.564 N30 Zn6 -","- C1544.75 H1400.75 Cl26.256 N120 Zn24 -","4","0.5","","Johannes K. Sprafke; Dmitry V. Kondratuk; Michael Wykes; Amber L. Thompson; Markus Hoffmann; Rokas Drevinskas; Wei-Hsin Chen; Chaw Keong Yong; Joakim Kärnbratt; Joseph E. Bullock; Marc Malfois; Michael R. Wasielewski; Bo Albinsson; Laura M. Herz; Donatas Zigmantas; David Beljonne; Harry L. Anderson","Belt-Shaped π-Systems: Relating Geometry to Electronic Structure in a Six-Porphyrin Nanoring","Journal of the American Chemical Society","2011","133","","17262","17273","10.1021/ja2045919","","","0.6889","Synchrotron","","0.1065","0.1047","","0.2626","0.2611","0.2626","","","","","","0.9235","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107026","11.572","0.007","19.432","0.01","14.691","0.008","90","","110.876","0.008","90","","3087","3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H23 B N6 O -","- C42 H23 B N6 O -","- C168 H92 B4 N24 O4 -","4","1","","Soji Shimizu; Akito Miura; Samson Khene; Tebello Nyokong; Nagao Kobayashi","Chiral 1,2-Subnaphthalocyanines","Journal of the American Chemical Society","2011","133","","17322","17328","10.1021/ja2052667","","","0.7107","MoKα","","","0.0707","","","","0.1936","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107027","10.977","0.003","17.802","0.004","38.101","0.009","90","","90","","90","","7445","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H27 B Br Cl N6 O -","- C48 H27 B Br Cl N6 O -","- C384 H216 B8 Br8 Cl8 N48 O8 -","8","2","","Soji Shimizu; Akito Miura; Samson Khene; Tebello Nyokong; Nagao Kobayashi","Chiral 1,2-Subnaphthalocyanines","Journal of the American Chemical Society","2011","133","","17322","17328","10.1021/ja2052667","","","0.71073","MoKα","","0.2162","0.0845","","","0.2067","0.2761","","","","","","0.988","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107028","10.304","0.006","17.641","0.01","16.769","0.01","90","","91.985","0.008","90","","3046","3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H23 B N6 O -","- C42 H23 B N6 O -","- C168 H92 B4 N24 O4 -","4","1","","Soji Shimizu; Akito Miura; Samson Khene; Tebello Nyokong; Nagao Kobayashi","Chiral 1,2-Subnaphthalocyanines","Journal of the American Chemical Society","2011","133","","17322","17328","10.1021/ja2052667","","","0.7107","MoKα","","","0.0667","","","","0.1224","","","","","","0.966","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107029","9.549","0.0017","12.04","0.002","27.566","0.005","90","","90","","90","","3169.3","1","208","2","208","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","TFM4031","","","- C17 H27 N O -","- C17 H27 N O -","- C136 H216 N8 O8 -","8","1","","Todd F. Markle; Ian J. Rhile; James M. Mayer","Kinetic Effects of Increased Proton Transfer Distance on Proton-Coupled Oxidations of Phenol-Amines","Journal of the American Chemical Society","2011","133","","17341","17352","10.1021/ja2056853","","","0.71073","MoKα","","0.1381","0.0698","","","0.142","0.166","","","","","","1.06","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4107030","8.8669","0.0005","19.9508","0.001","10.3408","0.0005","90","","92.519","0.003","90","","1827.54","0.16","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C43 H58 Fe N4 -","- C43 H58 Fe N4 -","- C86 H116 Fe2 N8 -","2","0.5","","Amanda C. Bowman; Carsten Milsmann; Eckhard Bill; Zoë R. Turner; Emil Lobkovsky; Serena DeBeer; Karl Wieghardt; Paul J. Chirik","Synthesis and Electronic Structure Determination of N-Alkyl-Substituted Bis(imino)pyridine Iron Imides Exhibiting Spin Crossover Behavior","Journal of the American Chemical Society","2011","133","","17353","17369","10.1021/ja205736m","","","0.71073","MoKα","","0.0632","0.0417","","","0.0904","0.0987","","","","","","1.026","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107031","23.764","0.005","14.825","0.003","21.812","0.004","90","","107.52","0.03","90","","7328","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H58 Fe N4 -","- C41 H58 Fe N4 -","- C328 H464 Fe8 N32 -","8","2","","Amanda C. Bowman; Carsten Milsmann; Eckhard Bill; Zoë R. Turner; Emil Lobkovsky; Serena DeBeer; Karl Wieghardt; Paul J. Chirik","Synthesis and Electronic Structure Determination of N-Alkyl-Substituted Bis(imino)pyridine Iron Imides Exhibiting Spin Crossover Behavior","Journal of the American Chemical Society","2011","133","","17353","17369","10.1021/ja205736m","","","0.9782","Synchrotron","","0.078","0.0763","","","0.2243","0.2304","","","","","","1.118","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107032","29.16","0.004","14.632","0.0019","20.85","0.003","90","","94.477","0.005","90","","8869","2","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H58 Fe N4 -","- C43 H58 Fe N4 -","- C344 H464 Fe8 N32 -","8","1","","Amanda C. Bowman; Carsten Milsmann; Eckhard Bill; Zoë R. Turner; Emil Lobkovsky; Serena DeBeer; Karl Wieghardt; Paul J. Chirik","Synthesis and Electronic Structure Determination of N-Alkyl-Substituted Bis(imino)pyridine Iron Imides Exhibiting Spin Crossover Behavior","Journal of the American Chemical Society","2011","133","","17353","17369","10.1021/ja205736m","","","0.71073","MoKα","","0.0892","0.0572","","","0.1434","0.1564","","","","","","1.079","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107033","29.2765","0.0004","14.6949","0.0002","20.8797","0.0003","90","","94.904","0.001","90","","8949.9","0.2","253","2","253","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H58 Fe N4 -","- C43 H58 Fe N4 -","- C344 H464 Fe8 N32 -","8","1","","Amanda C. Bowman; Carsten Milsmann; Eckhard Bill; Zoë R. Turner; Emil Lobkovsky; Serena DeBeer; Karl Wieghardt; Paul J. Chirik","Synthesis and Electronic Structure Determination of N-Alkyl-Substituted Bis(imino)pyridine Iron Imides Exhibiting Spin Crossover Behavior","Journal of the American Chemical Society","2011","133","","17353","17369","10.1021/ja205736m","","","1.54178","CuKα","","0.0692","0.0629","","","0.185","0.1897","","","","","","1.189","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107034","28.832","0.002","14.4148","0.0012","20.7661","0.0014","90","","94.196","0.006","90","","8607.4","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H58 Fe N4 -","- C43 H58 Fe N4 -","- C344 H464 Fe8 N32 -","8","1","","Amanda C. Bowman; Carsten Milsmann; Eckhard Bill; Zoë R. Turner; Emil Lobkovsky; Serena DeBeer; Karl Wieghardt; Paul J. Chirik","Synthesis and Electronic Structure Determination of N-Alkyl-Substituted Bis(imino)pyridine Iron Imides Exhibiting Spin Crossover Behavior","Journal of the American Chemical Society","2011","133","","17353","17369","10.1021/ja205736m","","","1.54178","CuKα","","0.1911","0.1711","","","0.4043","0.4151","","","","","","1.076","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107035","10.0994","0.0007","13.1141","0.0009","18.8097","0.0013","90","","93.723","0.0008","90","","2486","0.3","143","2","143","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C96 H144 O40 -","8","4","","Martin J. Schnermann; Christopher M. Beaudry; Nathan E. Genung; Stephen M. Canham; Nicholas L. Untiedt; Breanne D. W. Karanikolas; Christine Sütterlin; Larry E. Overman","Divergent Synthesis and Chemical Reactivity of Bicyclic Lactone Fragments of Complex Rearranged Spongian Diterpenes","Journal of the American Chemical Society","2011","133","","17494","17503","10.1021/ja207727h","","","0.71073","MoKα","","0.0461","0.038","","","0.0865","0.0904","","","","","","1.029","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107036","26.422","0.007","26.422","0.007","7.967","0.002","90","","90","","120","","4817","2","88","2","88","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C20 H23 F3 O6 -","- C20 H23 F3 O6 -","- C180 H207 F27 O54 -","9","1","","Martin J. Schnermann; Christopher M. Beaudry; Nathan E. Genung; Stephen M. Canham; Nicholas L. Untiedt; Breanne D. W. Karanikolas; Christine Sütterlin; Larry E. Overman","Divergent Synthesis and Chemical Reactivity of Bicyclic Lactone Fragments of Complex Rearranged Spongian Diterpenes","Journal of the American Chemical Society","2011","133","","17494","17503","10.1021/ja207727h","","","0.71073","MoKα","","0.0614","0.0394","","","0.0784","0.0866","","","","","","1.054","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107037","13.2305","0.0009","19.0703","0.0016","26.5694","0.0017","78.993","0.003","83.285","0.003","82.354","0.003","6493","0.8","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C67.75 H61.5 B Cl3.5 F4 N4 O2 P2 Rh -","- C67.75 H61.5 B Cl3.5 F4 N4 O2 P2 Rh -","- C271 H246 B4 Cl14 F16 N16 O8 P8 Rh4 -","4","2","","Paweł Dydio; Christophe Rubay; Tendai Gadzikwa; Martin Lutz; Joost N. H. Reek","""Cofactor""-Controlled Enantioselective Catalysis","Journal of the American Chemical Society","2011","133","","17176","17179","10.1021/ja208589c","","","0.71073","MoKα","","0.0995","0.0874","","","0.2175","0.2271","","","","","","1.136","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107038","10.884","0.005","12.049","0.006","14.338","0.007","90","","109.552","0.007","90","","1771.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 Cu N3 O4 -","- C10 H5 Cu N3 O4 -","- C40 H20 Cu4 N12 O16 -","4","1","","Jarrod F. Eubank; Lukasz Wojtas; Matthew R. Hight; Till Bousquet; Victor Ch. Kravtsov; Mohamed Eddaoudi","The Next Chapter in MOF Pillaring Strategies: Trigonal Heterofunctional Ligands To Access Targeted High-Connected Three Dimensional Nets, Isoreticular Platforms","Journal of the American Chemical Society","2011","133","","17532","17535","10.1021/ja203898s","","","0.71073","MoKα","","0.0932","0.0718","","","0.2014","0.2124","","","","","","1.047","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107039","19.132","0.004","19.132","0.004","37.505","0.015","90","","90","","120","","11889","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H9 Cu N O5 -","- C14 H9 Cu N O5 -","- C252 H162 Cu18 N18 O90 -","18","1","","Jarrod F. Eubank; Lukasz Wojtas; Matthew R. Hight; Till Bousquet; Victor Ch. Kravtsov; Mohamed Eddaoudi","The Next Chapter in MOF Pillaring Strategies: Trigonal Heterofunctional Ligands To Access Targeted High-Connected Three Dimensional Nets, Isoreticular Platforms","Journal of the American Chemical Society","2011","133","","17532","17535","10.1021/ja203898s","","","0.71073","MoKα","","0.1061","0.0618","","","0.1299","0.1354","","","","","","1.01","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107040","18.456","0.016","18.456","0.016","34.59","0.03","90","","90","","120","","10204","15","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H9 Cu N O5 -","- C14 H9 Cu N O5 -","- C252 H162 Cu18 N18 O90 -","18","1","","Jarrod F. Eubank; Lukasz Wojtas; Matthew R. Hight; Till Bousquet; Victor Ch. Kravtsov; Mohamed Eddaoudi","The Next Chapter in MOF Pillaring Strategies: Trigonal Heterofunctional Ligands To Access Targeted High-Connected Three Dimensional Nets, Isoreticular Platforms","Journal of the American Chemical Society","2011","133","","17532","17535","10.1021/ja203898s","","","1.54178","CuKα","","0.161","0.1076","","","0.2449","0.2642","","","","","","1.064","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107041","12.9805","0.0007","14.104","0.0009","25.6051","0.0013","90","","90","","90","","4687.7","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H9 Cu N O5 -","- C14 H9 Cu N O5 -","- C112 H72 Cu8 N8 O40 -","8","1","","Jarrod F. Eubank; Lukasz Wojtas; Matthew R. Hight; Till Bousquet; Victor Ch. Kravtsov; Mohamed Eddaoudi","The Next Chapter in MOF Pillaring Strategies: Trigonal Heterofunctional Ligands To Access Targeted High-Connected Three Dimensional Nets, Isoreticular Platforms","Journal of the American Chemical Society","2011","133","","17532","17535","10.1021/ja203898s","","","1.54178","CuKα","","0.0785","0.0626","","","0.1742","0.1825","","","","","","1.089","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107042","10.9427","0.0005","15.7965","0.0007","32.9696","0.0012","90","","90","","90","","5699","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[(tBuPCP)PdOH][HOCH2CH2F]","(1-FE)","","- C26 H49.38 F0.63 O2 P2 Pd -","- C26 H49.34 F0.66 O2 P2 Pd -","- C208 H394.72 F5.28 O16 P16 Pd8 -","8","1","","Gregory R. Fulmer; Alexandra N. Herndon; Werner Kaminsky; Richard A. Kemp; Karen I. Goldberg","Hydrogenolysis of Palladium(II) Hydroxide, Phenoxide, and Alkoxide Complexes","Journal of the American Chemical Society","2011","133","","17713","17726","10.1021/ja205824q","","","0.71073","MoKα","","0.1352","0.0804","","","0.1444","0.1648","","","","","","1.104","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107043","10.6351","0.0002","13.2125","0.0002","21.314","0.0003","90","","103.081","0.001","90","","2917.25","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(tBuPCP)PdOC6H5","(5)","","- C30 H48 O P2 Pd -","- C30 H48 O P2 Pd -","- C120 H192 O4 P8 Pd4 -","4","1","","Gregory R. Fulmer; Alexandra N. Herndon; Werner Kaminsky; Richard A. Kemp; Karen I. Goldberg","Hydrogenolysis of Palladium(II) Hydroxide, Phenoxide, and Alkoxide Complexes","Journal of the American Chemical Society","2011","133","","17713","17726","10.1021/ja205824q","","","0.71073","MoKα","","0.0347","0.0267","","","0.0593","0.0619","","","","","","1.036","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107044","25.584","0.002","16.592","0.0016","12.069","0.0012","90","","99.808","0.004","90","","5048.3","0.8","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[(?-tBuPCHP)Pd]2","(6)","","- C48 H88 P4 Pd2 -","- C48 H88 P4 Pd2 -","- C192 H352 P16 Pd8 -","4","0.5","","Gregory R. Fulmer; Alexandra N. Herndon; Werner Kaminsky; Richard A. Kemp; Karen I. Goldberg","Hydrogenolysis of Palladium(II) Hydroxide, Phenoxide, and Alkoxide Complexes","Journal of the American Chemical Society","2011","133","","17713","17726","10.1021/ja205824q","","","0.71073","MoKα","","0.2064","0.0766","","","0.1368","0.1731","","","","","","0.88","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107045","11.2995","0.0003","11.457","0.0003","25.5594","0.0007","87.864","0.002","89.579","0.001","68.387","0.001","3074.03","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(tBuPCP)PdOCH2C(CH3)3","(7)","","- C29 H54 O P2 Pd -","- C29 H54 O P2 Pd -","- C116 H216 O4 P8 Pd4 -","4","2","","Gregory R. Fulmer; Alexandra N. Herndon; Werner Kaminsky; Richard A. Kemp; Karen I. Goldberg","Hydrogenolysis of Palladium(II) Hydroxide, Phenoxide, and Alkoxide Complexes","Journal of the American Chemical Society","2011","133","","17713","17726","10.1021/ja205824q","","","0.71073","MoKα","","0.0948","0.0507","","","0.0767","0.0832","","","","","","1.032","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107046","20.9157","0.0019","12.4921","0.0011","10.8131","0.0009","90","","102.562","0.003","90","","2757.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(tBuPCP)PdOCH2CH2F","(10)","","- C26 H47 F O P2 Pd -","- C26 H47 F O P2 Pd -","- C104 H188 F4 O4 P8 Pd4 -","4","1","","Gregory R. Fulmer; Alexandra N. Herndon; Werner Kaminsky; Richard A. Kemp; Karen I. Goldberg","Hydrogenolysis of Palladium(II) Hydroxide, Phenoxide, and Alkoxide Complexes","Journal of the American Chemical Society","2011","133","","17713","17726","10.1021/ja205824q","","","0.71073","MoKα","","0.0538","0.046","","","0.1008","0.1062","","","","","","1.096","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107047","12.474","0.002","6.4401","0.0012","15.601","0.003","90","","109.188","0.003","90","","1183.7","0.4","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 O2 -","- C17 H10 O2 -","- C68 H40 O8 -","4","1","","Kuo-Chun Tang; Ming-Jen Chang; Tsung-Yi Lin; Hsiao-An Pan; Tzu-Chien Fang; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Fine Tuning the Energetics of Excited-State Intramolecular Proton Transfer (ESIPT): White Light Generation in A Single ESIPT System","Journal of the American Chemical Society","2011","133","","17738","17745","10.1021/ja2062693","","x-ray","0.71073","MoKα","","0.1047","0.0571","","","0.1488","0.1877","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107048","13.3606","0.0002","13.8311","0.0002","21.853","0.0004","77.852","0.001","74.896","0.001","77.025","0.001","3749.34","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C154.8 H121.8 B4 F60 N8 O6 Si4 -","- C154.8 H121.8 B4 F60 N8 O6 Si4 -","- C154.8 H121.8 B4 F60 N8 O6 Si4 -","1","0.5","","Rajendra S. Ghadwal; Ramachandran Azhakar; Herbert W. Roesky; Kevin Pröpper; Birger Dittrich; Susanne Klein; Gernot Frenking","Donor-Acceptor-Stabilized Silicon Analogue of an Acid Anhydride","Journal of the American Chemical Society","2011","133","","17552","17555","10.1021/ja206702e","","","1.54178","CuKα","","0.0617","0.0515","","","0.1401","0.1522","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107049","13.003","0.002","10.798","0.002","18.699","0.004","90","","91.086","0.003","90","","2625","0.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H41 Cl3 F24 Ir2 N4 O10 P4 -","- C28 H41 Cl3 F24 Ir2 N4 O10 P4 -","- C56 H82 Cl6 F48 Ir4 N8 O20 P8 -","2","0.5","","Thomas S. Teets; Daniel G. Nocera","Mechanistic Studies of O2 Reduction Effected by Group 9 Bimetallic Hydride Complexes","Journal of the American Chemical Society","2011","133","","17796","17806","10.1021/ja2069196","","","0.71073","MoKα","","0.0645","0.0493","","","0.1175","0.1216","","","","","","1.079","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107050","12.4449","0.0013","18.0315","0.0019","12.9712","0.0013","90","","117.313","0.002","90","","2586.2","0.5","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H40 Cl2 F24 Ir2 N4 O10 P4 -","- C28 H40 Cl2 F24 Ir2 N4 O10 P4 -","- C56 H80 Cl4 F48 Ir4 N8 O20 P8 -","2","1","","Thomas S. Teets; Daniel G. Nocera","Mechanistic Studies of O2 Reduction Effected by Group 9 Bimetallic Hydride Complexes","Journal of the American Chemical Society","2011","133","","17796","17806","10.1021/ja2069196","","","0.71073","MoKα","","0.0434","0.0353","","","0.076","0.0797","","","","","","0.995","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107051","11.091","0.0016","11.091","0.0016","19.364","0.004","90","","90","","120","","2062.8","0.6","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","MIL-88B(2OH)","","","- C48 H38 Fe6 O44 -","- C48 H12 Fe6 O44 -","- C48 H12 Fe6 O44 -","1","0.0416667","","Patricia Horcajada; Fabrice Salles; Stefan Wuttke; Thomas Devic; Daniela Heurtaux; Guillaume Maurin; Alexandre Vimont; Marco Daturi; Olivier David; Emmanuel Magnier; Norbert Stock; Yaroslav Filinchuk; Dmitry Popov; Christian Riekel; Gérard Férey; Christian Serre","How Linker's Modification Controls Swelling Properties of Highly Flexible Iron(III) Dicarboxylates MIL-88","Journal of the American Chemical Society","2011","133","","17839","17847","10.1021/ja206936e","","","0.9613","synchrotron","","0.1883","0.1769","","","0.4176","0.4234","","","","","","1.834","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107052","14.741","0.002","14.741","0.002","17.135","0.003","90","","90","","120","","3224.5","0.8","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","MIL-88B(4CH3)","","","- C72 H82 Fe6 O32 -","- C72 H72 Fe6 O32 -","- C72 H72 Fe6 O32 -","1","0.0416667","","Patricia Horcajada; Fabrice Salles; Stefan Wuttke; Thomas Devic; Daniela Heurtaux; Guillaume Maurin; Alexandre Vimont; Marco Daturi; Olivier David; Emmanuel Magnier; Norbert Stock; Yaroslav Filinchuk; Dmitry Popov; Christian Riekel; Gérard Férey; Christian Serre","How Linker's Modification Controls Swelling Properties of Highly Flexible Iron(III) Dicarboxylates MIL-88","Journal of the American Chemical Society","2011","133","","17839","17847","10.1021/ja206936e","","","0.9613","synchrotron","","0.2805","0.1924","","","0.4445","0.4757","","","","","","1.264","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107053","10.434","0.004","18.744","0.007","18.984","0.007","93.744","0.006","104.85","0.006","100.939","0.006","3498","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H64 B F24 N4 O2 Y -","- C70 H64 B F24 N4 O2 Y -","- C140 H128 B2 F48 N8 O4 Y2 -","2","1","","Ajay Venugopal; Waldemar Fegler; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Dihydrogen Addition in a Dinuclear Rare-Earth Metal Hydride Complex Supported by a Metalated TREN Ligand","Journal of the American Chemical Society","2011","133","","17574","17577","10.1021/ja207180x","","","0.71073","MoKα","","0.1707","0.0689","","","0.1229","0.1513","","","","","","0.852","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107054","11.855","0.004","13.2","0.004","16.018","0.005","67.933","0.004","70.455","0.005","81.338","0.005","2188.2","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H40 B F20 Lu N4 Si -","- C40 H40 B F20 Lu N4 Si -","- C80 H80 B2 F40 Lu2 N8 Si2 -","2","1","","Ajay Venugopal; Waldemar Fegler; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Dihydrogen Addition in a Dinuclear Rare-Earth Metal Hydride Complex Supported by a Metalated TREN Ligand","Journal of the American Chemical Society","2011","133","","17574","17577","10.1021/ja207180x","","","0.71073","MoKα","","0.06","0.048","","","0.0909","0.094","","","","","","0.908","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107055","12.728","0.0004","13.8763","0.0005","17.1508","0.0006","69.4343","0.0012","71.3166","0.0013","81.3633","0.0013","2684.21","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H104 B2 F48 Lu2 N8 O2 -","- C96 H104 B2 F48 Lu2 N8 O2 -","- C96 H104 B2 F48 Lu2 N8 O2 -","1","0.5","","Ajay Venugopal; Waldemar Fegler; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Dihydrogen Addition in a Dinuclear Rare-Earth Metal Hydride Complex Supported by a Metalated TREN Ligand","Journal of the American Chemical Society","2011","133","","17574","17577","10.1021/ja207180x","","","0.71073","MoKα","","0.1017","0.0506","","","0.0873","0.0986","","","","","","0.801","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107056","12.7943","0.0016","13.8697","0.0017","17.211","0.002","69.5007","0.0018","70.668","0.0018","81.4178","0.0019","2697.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H106 B2 F48 Lu2 N8 O2 -","- C96 H106 B2 F48 Lu2 N8 O2 -","- C96 H106 B2 F48 Lu2 N8 O2 -","1","0.5","","Ajay Venugopal; Waldemar Fegler; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Dihydrogen Addition in a Dinuclear Rare-Earth Metal Hydride Complex Supported by a Metalated TREN Ligand","Journal of the American Chemical Society","2011","133","","17574","17577","10.1021/ja207180x","","","0.71073","MoKα","","0.048","0.0394","","","0.0757","0.0787","","","","","","1.032","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107057","12.8104","0.0011","13.9351","0.0012","17.2719","0.0014","69.3026","0.0013","70.1548","0.0014","80.9762","0.0014","2710.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H106 B2 F48 N8 O2 Y2 -","- C96 H106 B2 F48 N8 O2 Y2 -","- C96 H106 B2 F48 N8 O2 Y2 -","1","0.5","","Ajay Venugopal; Waldemar Fegler; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Dihydrogen Addition in a Dinuclear Rare-Earth Metal Hydride Complex Supported by a Metalated TREN Ligand","Journal of the American Chemical Society","2011","133","","17574","17577","10.1021/ja207180x","","","0.71073","MoKα","","0.0758","0.0428","","","0.0797","0.0856","","","","","","0.832","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107058","16.411","0.006","16.426","0.006","25.192","0.009","90","","94.4","0.02","90","","6771","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C73 H98 N4 Sn2 -","- C73 H98 N4 Sn2 -","- C292 H392 N16 Sn8 -","4","1","","Shabana Khan; Reent Michel; Johannes M. Dieterich; Ricardo A. Mata; Herbert W. Roesky; Jean-Philippe Demers; Adam Lange; Dietmar Stalke","Preparation of RSn(I)-Sn(I)R with Two Unsymmetrically Coordinated Sn(I) Atoms and Subsequent Gentle Activation of P4","Journal of the American Chemical Society","2011","133","","17889","17894","10.1021/ja207538g","","","0.71073","MoKα","","0.0358","0.0257","","","0.0561","0.0609","","","","","","1.042","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107059","14.644","0.002","17.463","0.002","26.602","0.002","90","","104.48","0.02","90","","6586.8","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H86 N4 P4 Sn2 -","- C68 H86 N4 P4 Sn2 -","- C272 H344 N16 P16 Sn8 -","4","1","","Shabana Khan; Reent Michel; Johannes M. Dieterich; Ricardo A. Mata; Herbert W. Roesky; Jean-Philippe Demers; Adam Lange; Dietmar Stalke","Preparation of RSn(I)-Sn(I)R with Two Unsymmetrically Coordinated Sn(I) Atoms and Subsequent Gentle Activation of P4","Journal of the American Chemical Society","2011","133","","17889","17894","10.1021/ja207538g","","","0.71073","MoKα","","0.0541","0.0374","","","0.0871","0.0981","","","","","","1.072","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107060","19.25","0.08","9.01","0.04","21.8","0.09","90","","115.04","0.02","90","","3426","3","123.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 F12 N7 P2 Ru -","- C30 H26 F12 N7 P2 Ru -","- C120 H104 F48 N28 P8 Ru4 -","4","1","","Takahiko Kojima; Kazuya Nakayama; Miyuki Sakaguchi; Takashi Ogura; Kei Ohkubo; Shunichi Fukuzumi","Photochemical Activation of Ruthenium(II)-Pyridylamine Complexes Having a Pyridine-N-Oxide Pendant toward Oxygenation of Organic Substrates","Journal of the American Chemical Society","2011","133","","17901","17911","10.1021/ja207572z","","","0.7107","MoKα","","","0.1016","","","","0.2389","","","","","","1.223","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107061","11.343","0.002","12.621","0.003","12.733","0.003","72.787","0.006","77.874","0.006","74.914","0.006","1663.6","0.6","123.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H24 F12 N8 O P2 Ru -","- C28 H24 F12 N9 O P2 Ru -","- C56 H48 F24 N18 O2 P4 Ru2 -","2","1","","Takahiko Kojima; Kazuya Nakayama; Miyuki Sakaguchi; Takashi Ogura; Kei Ohkubo; Shunichi Fukuzumi","Photochemical Activation of Ruthenium(II)-Pyridylamine Complexes Having a Pyridine-N-Oxide Pendant toward Oxygenation of Organic Substrates","Journal of the American Chemical Society","2011","133","","17901","17911","10.1021/ja207572z","","","0.7107","MoKα","","","0.0548","","","","0.1466","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107062","19.373","0.003","8.8414","0.0011","21.969","0.003","90","","114.923","0.0004","90","","3412.5","0.8","123.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 F12 N8 O P2 Ru -","- C30 H26 F12 N7 O P2 Ru -","- C120 H104 F48 N28 O4 P8 Ru4 -","4","1","","Takahiko Kojima; Kazuya Nakayama; Miyuki Sakaguchi; Takashi Ogura; Kei Ohkubo; Shunichi Fukuzumi","Photochemical Activation of Ruthenium(II)-Pyridylamine Complexes Having a Pyridine-N-Oxide Pendant toward Oxygenation of Organic Substrates","Journal of the American Chemical Society","2011","133","","17901","17911","10.1021/ja207572z","","","0.7107","MoKα","","","0.0528","","","","0.138","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107063","9.1662","0.001","9.2425","0.001","9.8195","0.0011","90","","97.343","0.002","90","","825.07","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C36 H38 N2 O6 S2 -","2","1","","Xu Tian; Carlo Cassani; Yankai Liu; Antonio Moran; Atsushi Urakawa; Patrizia Galzerano; Elena Arceo; Paolo Melchiorre","Diastereodivergent Asymmetric Sulfa-Michael Additions of α-Branched Enones using a Single Chiral Organic Catalyst","Journal of the American Chemical Society","2011","133","","17934","17941","10.1021/ja207847p","","","0.71073","MoKα","","0.0407","0.0362","","","0.0929","0.0966","","","","","","1.033","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107064","7.2884","0.0002","7.6804","0.0003","29.2456","0.001","90","","90","","90","","1637.11","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","","Xu Tian; Carlo Cassani; Yankai Liu; Antonio Moran; Atsushi Urakawa; Patrizia Galzerano; Elena Arceo; Paolo Melchiorre","Diastereodivergent Asymmetric Sulfa-Michael Additions of α-Branched Enones using a Single Chiral Organic Catalyst","Journal of the American Chemical Society","2011","133","","17934","17941","10.1021/ja207847p","","","0.71073","MoKα","","0.0422","0.0366","","","0.095","0.1025","","","","","","1.141","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107065","17.691","0.002","17.691","0.002","10.5617","0.0012","90","","90","","120","","2862.7","0.6","195","2","195","2","","","","","","","synthesized","6","P 61","P 61","169","","","","- C11 H15 Cl N2 O4 Zn -","- C11 H15 Cl N2 O4 Zn -","- C66 H90 Cl6 N12 O24 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.043","0.0384","","","0.1154","0.1203","","","","","","1.017","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107066","17.768","0.002","17.768","0.002","10.4796","0.0011","90","","90","","120","","2865.2","0.5","195","2","195","2","","","","","","","synthesized","6","P 61","P 61","169","","","","- C11 H15 Br N2 O4 Zn -","- C11 H15 Br N2 O4 Zn -","- C66 H90 Br6 N12 O24 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.0803","0.0618","","","0.1928","0.2133","","","","","","1.017","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107067","17.703","0.002","17.703","0.002","10.585","0.005","90","","90","","120","","2872.9","1.4","195","2","195","2","","","","","","","synthesized","6","P 65","P 65","170","","","","- C11 H15 Cl N2 O4 Zn -","- C11 H15 Cl N2 O4 Zn -","- C66 H90 Cl6 N12 O24 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.0532","0.0469","","","0.1325","0.1387","","","","","","1.053","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107068","17.7786","0.0007","17.7786","0.0007","10.4868","0.0018","90","","90","","120","","2870.6","0.5","195","2","195","2","","","","","","","synthesized","6","P 65","P 65","170","","","","- C11 H15 Br N2 O4 Zn -","- C11 H15 Br N2 O4 Zn -","- C66 H90 Br6 N12 O24 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.075","0.0583","","","0.1731","0.1859","","","","","","1.046","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107069","17.7661","0.0015","17.7661","0.0015","10.5104","0.0016","90","","90","","120","","2873","0.6","353","2","353","2","","","","","","","synthesized","6","P 61","P 61","169","","","","- C11 H15 Cl N2 O2 Zn -","- C11 H15 Cl N2 O2 Zn -","- C66 H90 Cl6 N12 O12 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.0915","0.0642","","","0.147","0.1665","","","","","","1.005","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107070","17.859","0.001","17.859","0.001","10.5031","0.0012","90","","90","","120","","2901.1","0.4","313","2","313","2","","","","","","","synthesized","6","P 61","P 61","169","","","","- C11 H15 Br N2 O2 Zn -","- C11 H15 Br N2 O2 Zn -","- C66 H90 Br6 N12 O12 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.06","0.0573","","","0.1512","0.1532","","","","","","1.071","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107071","15.023","0.003","17.813","0.003","30.48","0.005","90","","90","","90","","8157","3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","10129","PPN[CupyN2ipr2OH]","","- C91 H83 Cu N4 O9 P2 -","- C79 H91 Cu N4 O6 P2 -","- C316 H364 Cu4 N16 O24 P8 -","4","1","","Patrick J. Donoghue; Jacqui Tehranchi; Christopher J. Cramer; Ritimukta Sarangi; Edward I. Solomon; William B. Tolman","Rapid C-H Bond Activation by a Monocopper(III)-Hydroxide Complex","Journal of the American Chemical Society","2011","133","","17602","17605","10.1021/ja207882h","","","0.71073","MoKα","","0.0928","0.0542","","","0.1146","0.1255","","","","","","0.956","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107072","15.0982","0.0016","17.8967","0.0019","30.531","0.003","90","","90","","90","","8249.7","1.5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","10173s","PPN[CupyN2ipr2Cl]","","- C87 H75 Cl Cu N4 O7 P2 -","- C79 H91 Cl Cu N4 O5 P2 -","- C316 H364 Cl4 Cu4 N16 O20 P8 -","4","1","","Patrick J. Donoghue; Jacqui Tehranchi; Christopher J. Cramer; Ritimukta Sarangi; Edward I. Solomon; William B. Tolman","Rapid C-H Bond Activation by a Monocopper(III)-Hydroxide Complex","Journal of the American Chemical Society","2011","133","","17602","17605","10.1021/ja207882h","","","0.71073","MoKα","","0.0812","0.0483","","","0.1094","0.1215","","","","","","0.966","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107073","14.646","0.005","15.53","0.005","38.561","0.012","90","","92.899","0.005","90","","8760","5","123","2","123","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","11012","(CupyN2ipr2)(CH3CN)","","- C52 H62 Cu N4 O2 -","- C40 H48 Cu N4 O2 -","- C320 H384 Cu8 N32 O16 -","8","2","","Patrick J. Donoghue; Jacqui Tehranchi; Christopher J. Cramer; Ritimukta Sarangi; Edward I. Solomon; William B. Tolman","Rapid C-H Bond Activation by a Monocopper(III)-Hydroxide Complex","Journal of the American Chemical Society","2011","133","","17602","17605","10.1021/ja207882h","","","0.71073","MoKα","","0.1083","0.0734","","","0.2043","0.2174","","","","","","1.109","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107074","36.363","","15.363","","15.08","","90","","90","","90","","8424.36","","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","11112s","(CupyN2ipr2)(H2O)","","- C31 H39 Cu N3 O2 -","- C62 H78 Cu2 N6 O6 -","- C248 H312 Cu8 N24 O24 -","4","0.5","","Patrick J. Donoghue; Jacqui Tehranchi; Christopher J. Cramer; Ritimukta Sarangi; Edward I. Solomon; William B. Tolman","Rapid C-H Bond Activation by a Monocopper(III)-Hydroxide Complex","Journal of the American Chemical Society","2011","133","","17602","17605","10.1021/ja207882h","","","0.71073","MoKα","","0.063","0.0474","","","0.1361","0.1425","","","","","","1.083","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107075","14.9697","0.0005","13.7277","0.0004","16.5604","0.0012","90","","112.163","0.008","90","","3151.7","0.3","95","2","95","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 F6 N2 O2 Pd -","- C33 H32 F6 N2 O2 Pd -","- C132 H128 F24 N8 O8 Pd4 -","4","1","","Joy M. Racowski; Nicholas D. Ball; Melanie S. Sanford","C-H Bond Activation at Palladium(IV) Centers","Journal of the American Chemical Society","2011","133","","18022","18025","10.1021/ja2051099","","","1.54187","CuKα","","0.0984","0.0729","","","0.1909","0.2483","","","","","","1.16","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107076","14.863","0.0003","13.6599","0.0003","20.9345","0.0015","90","","103.885","0.007","90","","4126.1","0.3","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 Cl3 F3 N2 Pd -","- C45 H46 Cl3 F3 N2 Pd -","- C180 H184 Cl12 F12 N8 Pd4 -","4","1","","Joy M. Racowski; Nicholas D. Ball; Melanie S. Sanford","C-H Bond Activation at Palladium(IV) Centers","Journal of the American Chemical Society","2011","133","","18022","18025","10.1021/ja2051099","","","1.54178","CuKα","","0.0406","0.0392","","","0.0958","0.0964","","","","","","1.093","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107077","10.386","0.011","18.76","0.02","27.36","0.03","90","","99.125","0.018","90","","5263","10","253","2","253","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H55 Cl2 N O2 Os P2 Si -","- C57 H55 Cl2 N O2 Os P2 Si -","- C228 H220 Cl8 N4 O8 Os4 P8 Si4 -","4","1","","Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Electrophilic Substitution Reactions of Metallabenzynes","Journal of the American Chemical Society","2011","133","","18350","18360","10.1021/ja207315h","","","0.71073","MoKα","","0.0307","0.0226","","","0.048","0.0499","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107078","12.058","0.001","12.4671","0.001","14.8212","0.0012","83.779","0.002","72.02","0.002","75.575","0.002","2051.2","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H44 Cl2 N O2 Os P2 Si -","- C45 H44 Cl2 N O2 Os P2 Si -","- C90 H88 Cl4 N2 O4 Os2 P4 Si2 -","2","1","","Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Electrophilic Substitution Reactions of Metallabenzynes","Journal of the American Chemical Society","2011","133","","18350","18360","10.1021/ja207315h","","","0.71073","MoKα","","0.0862","0.0613","","","0.0993","0.1069","","","","","","1.002","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107079","10.1908","0.001","17.7202","0.0018","24.634","0.003","90","","95.552","0.001","90","","4427.6","0.8","173.15","","173.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 Cl2 N O Os P2 Si -","- C48 H43 Cl2 N O Os P2 Si -","- C192 H172 Cl8 N4 O4 Os4 P8 Si4 -","4","1","","Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Electrophilic Substitution Reactions of Metallabenzynes","Journal of the American Chemical Society","2011","133","","18350","18360","10.1021/ja207315h","","","0.71073","MoKα","","0.0489","0.0315","","","0.0591","0.0621","","","","","","1.019","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107080","21.2492","0.001","10.049","0.0005","39.926","0.002","90","","99.803","0.001","90","","8401","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43.5 H37 Cl7 O Os P2 -","- C43.5 H37 Cl7 O Os P2 -","- C348 H296 Cl56 O8 Os8 P16 -","8","1","","Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Electrophilic Substitution Reactions of Metallabenzynes","Journal of the American Chemical Society","2011","133","","18350","18360","10.1021/ja207315h","","","0.71073","MoKα","","0.0323","0.0268","","","0.0618","0.0637","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107081","10.0996","0.0007","18.2847","0.0012","23.7928","0.0016","90","","94.946","0.001","90","","4377.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 Cl3 O Os P2 Si -","- C48 H50 Cl3 O Os P2 Si -","- C192 H200 Cl12 O4 Os4 P8 Si4 -","4","1","","Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Electrophilic Substitution Reactions of Metallabenzynes","Journal of the American Chemical Society","2011","133","","18350","18360","10.1021/ja207315h","","","0.71073","MoKα","","0.0744","0.0368","","","0.0549","0.0591","","","","","","1.029","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107082","26.725","0.004","10.8721","0.0018","26.968","0.005","90","","91.165","0.002","90","","7834","2","100","2","100.15","","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C42.75 H36.5 Cl3.5 N O3 Os P2 -","- C42.75 H35 Cl3.5 N O3 Os P2 -","- C342 H280 Cl28 N8 O24 Os8 P16 -","8","2","","Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Electrophilic Substitution Reactions of Metallabenzynes","Journal of the American Chemical Society","2011","133","","18350","18360","10.1021/ja207315h","","","0.71073","MOKα","","0.0568","0.0496","","","0.1128","0.116","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107083","11.1701","0.0002","22.4204","0.0003","16.2299","0.0002","90","","104.591","0.003","90","","3933.5","0.11","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H49 B N9 O6 P S W -","- C34 H49 B N9 O6 P S W -","- C136 H196 B4 N36 O24 P4 S4 W4 -","4","1","","Daniel P. Harrison; Diana A. Iovan; William H. Myers; Michal Sabat; Sisi Wang; Victor E. Zottig; W. Dean Harman","[4 + 2] Cyclocondensation Reactions of Tungsten-Dihydropyridine Complexes and the Generation of Tri- and Tetrasubstituted Piperidines","Journal of the American Chemical Society","2011","133","","18378","18387","10.1021/ja2075086","","","0.71073","MoKα","","0.0421","0.0274","","","0.0809","0.097","","","","","","0.7","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107084","25.1379","0.0004","19.8266","0.0003","7.9009","0.0001","90","","90","","90","","3937.8","0.1","153","2","153","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C30 H43 B Cl3 N9 O6 P S W -","- C30 H43 B Cl3 N9 O6 P S W -","- C120 H172 B4 Cl12 N36 O24 P4 S4 W4 -","4","1","","Daniel P. Harrison; Diana A. Iovan; William H. Myers; Michal Sabat; Sisi Wang; Victor E. Zottig; W. Dean Harman","[4 + 2] Cyclocondensation Reactions of Tungsten-Dihydropyridine Complexes and the Generation of Tri- and Tetrasubstituted Piperidines","Journal of the American Chemical Society","2011","133","","18378","18387","10.1021/ja2075086","","","0.71073","MoKα","","0.0299","0.024","","","0.0707","0.0792","","","","","","0.634","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107085","9.6277","0.0003","27.2822","0.0007","15.4514","0.0004","90","","101.055","0.001","90","","3983.23","0.19","153","2","153","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 B Cl6 N9 O5 P S W -","- C29 H37 B Cl6 N9 O5 P S W -","- C116 H148 B4 Cl24 N36 O20 P4 S4 W4 -","4","1","","Daniel P. Harrison; Diana A. Iovan; William H. Myers; Michal Sabat; Sisi Wang; Victor E. Zottig; W. Dean Harman","[4 + 2] Cyclocondensation Reactions of Tungsten-Dihydropyridine Complexes and the Generation of Tri- and Tetrasubstituted Piperidines","Journal of the American Chemical Society","2011","133","","18378","18387","10.1021/ja2075086","","","0.71073","MoKα","","0.0409","0.029","","","0.0873","0.0997","","","","","","0.741","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107086","17.156","0.001","23.184","0.002","17.542","0.001","90","","106.337","0.003","90","","6695.5","0.8","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29.5 H40.5 B N9 O3 P W -","- C29.5 H40.5 B N9 O3 P W -","- C236 H324 B8 N72 O24 P8 W8 -","8","2","","Daniel P. Harrison; Diana A. Iovan; William H. Myers; Michal Sabat; Sisi Wang; Victor E. Zottig; W. Dean Harman","[4 + 2] Cyclocondensation Reactions of Tungsten-Dihydropyridine Complexes and the Generation of Tri- and Tetrasubstituted Piperidines","Journal of the American Chemical Society","2011","133","","18378","18387","10.1021/ja2075086","","","0.71073","MoKα","","0.0847","0.0516","","","0.1285","0.1515","","","","","","0.967","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107087","27.048","0.006","14.838","0.003","11.731","0.003","90","","101.587","0.003","90","","4612.2","1.8","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C46 H44 F14 N2 O4 -","- C46 H44 F14 N2 O4 -","- C184 H176 F56 N8 O16 -","4","1","","Wan Yue; Jing Gao; Yan Li; Wei Jiang; Simone Di Motta; Fabrizia Negri; Zhaohui Wang","One-Pot Synthesis of Stable NIR Tetracene Diimides via Double Cross-Coupling","Journal of the American Chemical Society","2011","133","","18054","18057","10.1021/ja207630a","","","0.71073","MoKα","","0.0602","0.0571","","","0.1465","0.1496","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107088","10.3554","0.0005","12.125","0.0006","18.9776","0.0009","93.287","0.002","95.883","0.002","110.272","0.002","2212.41","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H48 Cr2 N8 -","- C46 H48 Cr2 N8 -","- C92 H96 Cr4 N16 -","2","1","","Elliott B. Hulley; Peter T. Wolczanski; Emil B. Lobkovsky","Carbon-Carbon Bond Formation from Azaallyl and Imine Couplings about Metal-Metal Bonds","Journal of the American Chemical Society","2011","133","","18058","18061","10.1021/ja207638h","","","0.71073","MoKα","","0.0521","0.0381","","","0.1088","0.1168","","","","","","1.104","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107089","15.506","0.002","15.506","0.002","23.508","0.004","90","","90","","90","","5652.2","1.4","173","2","173","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C34 H36 Co2 N8 -","- C34 H36 Co2 N8 -","- C272 H288 Co16 N64 -","8","0.5","","Elliott B. Hulley; Peter T. Wolczanski; Emil B. Lobkovsky","Carbon-Carbon Bond Formation from Azaallyl and Imine Couplings about Metal-Metal Bonds","Journal of the American Chemical Society","2011","133","","18058","18061","10.1021/ja207638h","","","0.71073","MoKα","","0.0328","0.0282","","","0.0617","0.0638","","","","","","1.002","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107090","15.4762","0.0009","15.4762","0.0009","23.6634","0.0014","90","","90","","90","","5667.7","0.6","173","2","173","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C34 H36 N8 Ni2 -","- C34 H36 N8 Ni2 -","- C272 H288 N64 Ni16 -","8","0.5","","Elliott B. Hulley; Peter T. Wolczanski; Emil B. Lobkovsky","Carbon-Carbon Bond Formation from Azaallyl and Imine Couplings about Metal-Metal Bonds","Journal of the American Chemical Society","2011","133","","18058","18061","10.1021/ja207638h","","","0.71073","MoKα","","0.0559","0.0385","","","0.0846","0.0924","","","","","","0.998","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107091","15.051","0.001","9.7","0.001","27.781","0.003","90","","93.933","0.003","90","","4046.3","0.7","295","2","295","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C38 H27 Ag F15 O2 P -","- C38 H27 Ag F15 O2 P -","- C152 H108 Ag4 F60 O8 P4 -","4","1","","Feng Cai; Xiaotao Pu; Xiangbing Qi; Vincent Lynch; Akella Radha; Joseph M. Ready","Chiral Allene-Containing Phosphines in Asymmetric Catalysis","Journal of the American Chemical Society","2011","133","","18066","18069","10.1021/ja207748r","","","0.71069","MoKα","","0.1421","0.0894","","","0.1878","0.2167","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107092","14.586","0.002","14.058","0.002","16.988","0.002","90","","102.1","0.04","90","","3406","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C67 H63 F24 O2 P2 Rh -","- C67 H63 F24 O2 P2 Rh -","- C134 H126 F48 O4 P4 Rh2 -","2","1","","Feng Cai; Xiaotao Pu; Xiangbing Qi; Vincent Lynch; Akella Radha; Joseph M. Ready","Chiral Allene-Containing Phosphines in Asymmetric Catalysis","Journal of the American Chemical Society","2011","133","","18066","18069","10.1021/ja207748r","","","0.71073","MoKα","","0.0877","0.0716","","","0.1397","0.1463","","","","","","1.201","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107093","12.9845","0.0003","13.4713","0.0004","17.6974","0.0007","91.562","0.002","95.931","0.002","116.391","0.002","2748.81","0.16","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H33 Cl3 F24 P2 Pt -","- C52 H31 Cl F24 P2 Pt -","- C104 H62 Cl2 F48 P4 Pt2 -","2","1","","Feng Cai; Xiaotao Pu; Xiangbing Qi; Vincent Lynch; Akella Radha; Joseph M. Ready","Chiral Allene-Containing Phosphines in Asymmetric Catalysis","Journal of the American Chemical Society","2011","133","","18066","18069","10.1021/ja207748r","","","0.71069","MoKα","","0.0431","0.0329","","","0.0653","0.0676","","","","","","1.059","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107094","19.7185","0.0005","9.8541","0.0002","19.9184","0.0007","90","","91.13","0.001","90","","3869.55","0.19","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 Cl2 F12 P Pt -","- C36 H27 Cl2 F12 P Pt -","- C144 H108 Cl8 F48 P4 Pt4 -","4","1","","Feng Cai; Xiaotao Pu; Xiangbing Qi; Vincent Lynch; Akella Radha; Joseph M. Ready","Chiral Allene-Containing Phosphines in Asymmetric Catalysis","Journal of the American Chemical Society","2011","133","","18066","18069","10.1021/ja207748r","","","0.71069","MoKα","","0.0778","0.0471","","","0.1167","0.135","","","","","","0.946","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107095","11.9292","0.0012","13.7023","0.0013","17.4694","0.0017","98.876","0.003","101.348","0.003","114.727","0.004","2451.6","0.4","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H116 P4 Ru2 -","- C120 H116 P4 Ru2 -","- C120 H116 P4 Ru2 -","1","0.5","","Mark A. Fox; Boris Le Guennic; Rachel L. Roberts; Daniel A. Brue; Dmitry S. Yufit; Judith A. K. Howard; Gabriele Manca; Jean-François Halet; František Hartl; Paul J. Low","Simultaneous Bridge-Localized and Mixed-Valence Character in Diruthenium Radical Cations Featuring Diethynylaromatic Bridging Ligands","Journal of the American Chemical Society","2011","133","","18433","18446","10.1021/ja207827m","","","0.71073","MoKα","","0.1851","0.0769","","","0.1695","0.241","","","","","","0.993","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107096","12.2385","0.0003","22.4341","0.0005","13.0592","0.0003","90","","99.025","0.001","90","","3541.14","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H86 O2 P4 Ru2 -","- C84 H86 O2 P4 Ru2 -","- C168 H172 O4 P8 Ru4 -","2","0.5","","Mark A. Fox; Boris Le Guennic; Rachel L. Roberts; Daniel A. Brue; Dmitry S. Yufit; Judith A. K. Howard; Gabriele Manca; Jean-François Halet; František Hartl; Paul J. Low","Simultaneous Bridge-Localized and Mixed-Valence Character in Diruthenium Radical Cations Featuring Diethynylaromatic Bridging Ligands","Journal of the American Chemical Society","2011","133","","18433","18446","10.1021/ja207827m","","","0.71073","Mo-Kα","","0.0383","0.0302","","","0.0762","0.0819","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107097","10.7459","0.0004","16.2778","0.0006","17.4964","0.0007","94.685","0.002","99.974","0.002","95.389","0.002","2985.9","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H57 B Cl F20 O P Zr -","- C64 H57 B Cl F20 O P Zr -","- C128 H114 B2 Cl2 F40 O2 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.1008","0.0761","","","0.2049","0.2189","","","","","","1.145","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107098","10.7416","0.0001","13.5111","0.0002","17.9314","0.0002","90","","99.51","0.001","90","","2566.63","0.05","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C56 H48 B F20 O P Zr -","- C56 H48 B F20 O P Zr -","- C112 H96 B2 F40 O2 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0389","0.0327","","","0.07","0.0735","","","","","","1.045","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107099","11.4617","0.0006","17.7678","0.0008","22.7861","0.001","90","","100.121","0.002","90","","4568.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H32 B F20 O3 P Zr -","- C49 H32 B F20 O3 P Zr -","- C196 H128 B4 F80 O12 P4 Zr4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.069","0.0643","","","0.147","0.1507","","","","","","1.021","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107100","10.4215","0.0015","15.429","0.002","17.406","0.003","90.117","0.007","89.619","0.007","93.56","0.007","2793.3","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H52 B F20 O3 P Zr -","- C59 H52 B F20 O3 P Zr -","- C118 H104 B2 F40 O6 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0385","0.032","","","0.084","0.0874","","","","","","1.025","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107101","10.5975","0.0006","14.9161","0.0008","19.468","0.0011","102.343","0.003","97.646","0.004","107.362","0.003","2804.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H54 B F20 O3 P Zr -","- C59 H54 B F20 O3 P Zr -","- C118 H108 B2 F40 O6 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0677","0.0451","","","0.1112","0.129","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107102","10.6168","0.0004","15.6577","0.0006","34.2381","0.0012","90","","94.068","0.002","90","","5677.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H52 B F20 O2 P Zr -","- C59 H52 B F20 O2 P Zr -","- C236 H208 B4 F80 O8 P4 Zr4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0597","0.0462","","","0.1012","0.1064","","","","","","1.101","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107103","10.9035","0.0002","29.5252","0.0005","19.8647","0.0004","90","","94.231","0.001","90","","6377.6","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C69 H59.5 B Cl0.5 F20 O P Zr -","- C69 H59.5 B Cl0.5 F20 O P Zr -","- C276 H238 B4 Cl2 F80 O4 P4 Zr4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0743","0.0448","","","0.1025","0.1171","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107104","10.4747","0.0004","15.5156","0.0005","17.3448","0.0006","89.757","0.001","89.532","0.002","86.53","0.001","2813.62","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H56 B F20 O P Zr -","- C60 H56 B F20 O P Zr -","- C120 H112 B2 F40 O2 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0286","0.0256","","","0.0653","0.0669","","","","","","1.036","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107105","10.7053","0.0002","16.7854","0.0003","18.9334","0.0004","64.47","0.001","85.548","0.001","85.835","0.001","3057.84","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H56 B Cl4 F20 O P Zr -","- C60 H56 B Cl4 F20 O P Zr -","- C120 H112 B2 Cl8 F40 O2 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0312","0.028","","","0.0725","0.0744","","","","","","1.054","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107106","10.7652","0.0012","16.937","0.0017","17.8214","0.0019","93.034","0.006","102.341","0.006","95.1","0.006","3153.1","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H64 B Cl F21 O P Zr -","- C67 H64 B Cl F21 O P Zr -","- C134 H128 B2 Cl2 F42 O2 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.1401","0.129","","","0.2918","0.298","","","","","","1.217","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107107","17.4078","0.0005","16.4785","0.0005","17.7185","0.0005","90","","104.025","0.002","90","","4931.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 B F20 O2 P Zr -","- C52 H40 B F20 O2 P Zr -","- C208 H160 B4 F80 O8 P4 Zr4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.1563","0.1523","","","0.3393","0.3408","","","","","","1.225","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107108","10.6515","0.0002","16.8318","0.0003","17.9615","0.0003","95.449","0.001","104.148","0.001","93.935","0.001","3094.32","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H64.5 B Cl0.5 F20 O2 P Zr -","- C66 H64.5 B Cl0.5 F20 O2 P Zr -","- C132 H129 B2 Cl F40 O4 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0485","0.0378","","","0.0972","0.1035","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107109","19.7552","0.0003","16.0962","0.0002","15.3579","0.0002","90","","90","","90","","4883.56","0.12","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C52 H42 B F20 O2 P Zr -","- C52 H42 B F20 O2 P Zr -","- C208 H168 B4 F80 O8 P4 Zr4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.027","0.0246","","","0.0596","0.0612","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107110","10.7058","0.0003","16.8021","0.0005","17.3832","0.0005","93.162","0.002","100.509","0.002","95.665","0.002","3050.86","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H62 B F20 O2 P Zr -","- C62 H62 B F20 O2 P Zr -","- C124 H124 B2 F40 O4 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0616","0.0491","","","0.1244","0.1307","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107111","8.6735","0.0003","22.8862","0.0008","21.9481","0.0008","90","","93.156","0.002","90","","4350.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 La O2 P -","- C36 H56 La O2 P -","- C144 H224 La4 O8 P4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0269","0.0233","","","0.0571","0.0587","","","","","","1.034","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107112","10.6578","0.0003","16.5432","0.0005","17.6072","0.0006","96.235","0.001","100.157","0.001","94.86","0.001","3020.51","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H58.5 B Cl0.5 F20 O2 P Zr -","- C64 H58.5 B Cl0.5 F20 O2 P Zr -","- C128 H117 B2 Cl F40 O4 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0306","0.0277","","","0.0712","0.0739","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107113","9.9407","0.0019","10.2407","0.002","18.024","0.004","84.081","0.005","75.579","0.004","70.851","0.005","1678.2","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H53 N2 Ni P -","- C38 H53 N2 Ni P -","- C76 H106 N4 Ni2 P2 -","2","1","","Masato Ohashi; Ippei Takeda; Masashi Ikawa; Sensuke Ogoshi","Nickel-Catalyzed Dehydrogenative [4 + 2] Cycloaddition of 1,3-Dienes with Nitriles","Journal of the American Chemical Society","2011","133","","18018","18021","10.1021/ja208162w","","","0.71075","MoKα","","0.1654","0.0904","","","0.2104","0.2891","","","","","","1.115","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107114","10.039","0.004","12.481","0.005","16.806","0.007","95.525","0.009","96.536","0.009","94.289","0.01","2074.5","1.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H55 N3 Ni -","- C50 H55 N3 Ni -","- C100 H110 N6 Ni2 -","2","1","","Masato Ohashi; Ippei Takeda; Masashi Ikawa; Sensuke Ogoshi","Nickel-Catalyzed Dehydrogenative [4 + 2] Cycloaddition of 1,3-Dienes with Nitriles","Journal of the American Chemical Society","2011","133","","18018","18021","10.1021/ja208162w","","","0.71075","MoKα","","0.2273","0.0877","","","0.1132","0.166","","","","","","1.021","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107115","9.8805","0.0006","12.7636","0.0008","16.4167","0.0008","96.318","0.002","97.314","0.002","108.6","0.002","1921.07","0.19","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H61 N Ni P -","- C45 H61 N Ni P -","- C90 H122 N2 Ni2 P2 -","2","1","","Masato Ohashi; Ippei Takeda; Masashi Ikawa; Sensuke Ogoshi","Nickel-Catalyzed Dehydrogenative [4 + 2] Cycloaddition of 1,3-Dienes with Nitriles","Journal of the American Chemical Society","2011","133","","18018","18021","10.1021/ja208162w","","","0.71075","MoKα","","0.1483","0.0698","","","0.1386","0.2242","","","","","","1.163","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107116","13.3664","0.0007","13.3664","0.0007","39.316","0.004","90","","90","","90","","7024.2","0.9","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","FMOF-1,2toluene","","","- C38 H16 Ag6 F36 N18 -","- C38 H16 Ag6 F36 N18 -","- C152 H64 Ag24 F144 N72 -","4","0.25","","Chi Yang; Ushasree Kaipa; Qian Zhang Mather; Xiaoping Wang; Vladimir Nesterov; Augustin F. Venero; Mohammad A. Omary","Fluorous Metal-Organic Frameworks with Superior Adsorption and Hydrophobic Properties toward Oil Spill Cleanup and Hydrocarbon Storage","Journal of the American Chemical Society","2011","133","","18094","18097","10.1021/ja208408n","","","0.71073","MoKα","","0.0621","0.046","","","0.1261","0.1558","","","","","","1.097","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107117","23.4261","0.0014","23.4261","0.0014","12.2033","0.0015","90","","90","","120","","5799.7","0.9","100","2","100","2","","","","","","","","5","P 6/m","-P 6","175","FMOF-2,4toluene","","","- C52 H32 Ag6 F36 N18 -","- C52 H32 Ag6 F36 N18 -","- C156 H96 Ag18 F108 N54 -","3","0.25","","Chi Yang; Ushasree Kaipa; Qian Zhang Mather; Xiaoping Wang; Vladimir Nesterov; Augustin F. Venero; Mohammad A. Omary","Fluorous Metal-Organic Frameworks with Superior Adsorption and Hydrophobic Properties toward Oil Spill Cleanup and Hydrocarbon Storage","Journal of the American Chemical Society","2011","133","","18094","18097","10.1021/ja208408n","","","0.71073","MoKα","","0.0735","0.064","","","0.1639","0.1732","","","","","","1.459","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107118","18.4713","0.0017","11.625","0.0011","18.703","0.0018","90","","103.472","0.002","90","","3905.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H62 Br O P Pd -","- C41 H62 Br O P Pd -","- C164 H248 Br4 O4 P4 Pd4 -","4","1","","Thomas J. Maimone; Phillip J. Milner; Tom Kinzel; Yong Zhang; Michael K. Takase; Stephen L. Buchwald","Evidence for in Situ Catalyst Modification during the Pd-Catalyzed Conversion of Aryl Triflates to Aryl Fluorides","Journal of the American Chemical Society","2011","133","","18106","18109","10.1021/ja208461k","","","0.71073","MoKα","","0.0529","0.0319","","","0.0659","0.0733","","","","","","1.016","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107119","11.7544","0.001","11.9376","0.001","16.5466","0.0014","75.412","0.002","71.071","0.002","62.967","0.002","1941.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H62 Br O2 P Pd -","- C41 H62 Br O2 P Pd -","- C82 H124 Br2 O4 P2 Pd2 -","2","1","","Thomas J. Maimone; Phillip J. Milner; Tom Kinzel; Yong Zhang; Michael K. Takase; Stephen L. Buchwald","Evidence for in Situ Catalyst Modification during the Pd-Catalyzed Conversion of Aryl Triflates to Aryl Fluorides","Journal of the American Chemical Society","2011","133","","18106","18109","10.1021/ja208461k","","","0.71073","MoKα","","0.0336","0.0264","","","0.0602","0.0628","","","","","","1.03","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107120","19.9808","0.0017","20.8738","0.0018","22.375","0.002","90","","90","","90","","9332.1","1.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C51 H74 Br O2 P Pd -","- C51 H74 Br O2 P Pd -","- C408 H592 Br8 O16 P8 Pd8 -","8","1","","Thomas J. Maimone; Phillip J. Milner; Tom Kinzel; Yong Zhang; Michael K. Takase; Stephen L. Buchwald","Evidence for in Situ Catalyst Modification during the Pd-Catalyzed Conversion of Aryl Triflates to Aryl Fluorides","Journal of the American Chemical Society","2011","133","","18106","18109","10.1021/ja208461k","","","0.71073","MoKα","","0.055","0.0433","","","0.1083","0.1148","","","","","","1.046","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107121","10.633","0.004","11.053","0.004","16.941","0.006","107.083","0.007","102.721","0.008","96.416","0.01","1822.9","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H61 O P -","- C41 H61 O P -","- C82 H122 O2 P2 -","2","1","","Thomas J. Maimone; Phillip J. Milner; Tom Kinzel; Yong Zhang; Michael K. Takase; Stephen L. Buchwald","Evidence for in Situ Catalyst Modification during the Pd-Catalyzed Conversion of Aryl Triflates to Aryl Fluorides","Journal of the American Chemical Society","2011","133","","18106","18109","10.1021/ja208461k","","","0.71073","MoKα","","0.0674","0.0464","","","0.1112","0.1233","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107122","20.6183","0.0011","11.3406","0.0006","19.2147","0.001","90","","90.439","0.003","90","","4492.7","0.4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H71 B Fe N2 Na O P3 Si -","- C43 H71 B Fe N2 Na O P3 Si -","- C172 H284 B4 Fe4 N8 Na4 O4 P12 Si4 -","4","1","","Marc-Etienne Moret; Jonas C. Peters","N2 Functionalization at Iron Metallaboratranes","Journal of the American Chemical Society","2011","133","","18118","18121","10.1021/ja208675p","","","0.71073","MoKα","","0.1186","0.051","","","0.0875","0.1071","","","","","","0.997","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107123","10.7723","0.0005","11.3518","0.0005","20.438","0.0009","78.098","0.002","78.462","0.002","62.107","0.002","2145.87","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41.5 H68 B Fe N2 P3 Si -","- C41.5 H68 B Fe N2 P3 Si -","- C83 H136 B2 Fe2 N4 P6 Si2 -","2","1","","Marc-Etienne Moret; Jonas C. Peters","N2 Functionalization at Iron Metallaboratranes","Journal of the American Chemical Society","2011","133","","18118","18121","10.1021/ja208675p","","","0.71073","MoKα","","0.0487","0.035","","","0.0989","0.1065","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107124","12.0358","0.0004","12.2087","0.0005","19.5934","0.0007","107.196","0.002","91.58","0.002","101.338","0.002","2685.4","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H82 B Fe N2 O P3 Si3 -","- C47 H82 B Fe N2 O P3 Si3 -","- C94 H164 B2 Fe2 N4 O2 P6 Si6 -","2","1","","Marc-Etienne Moret; Jonas C. Peters","N2 Functionalization at Iron Metallaboratranes","Journal of the American Chemical Society","2011","133","","18118","18121","10.1021/ja208675p","","","0.71073","MoKα","","0.0691","0.0374","","","0.0877","0.1012","","","","","","1.01","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107125","11.2149","0.0005","24.117","0.001","37.5403","0.0013","90","","90","","90","","10153.5","0.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H79 B Fe N3 P3 Si2 -","- C47 H79 B Fe N3 P3 Si2 -","- C376 H632 B8 Fe8 N24 P24 Si16 -","8","1","","Marc-Etienne Moret; Jonas C. Peters","N2 Functionalization at Iron Metallaboratranes","Journal of the American Chemical Society","2011","133","","18118","18121","10.1021/ja208675p","","","0.71073","MoKα","","0.0715","0.0504","","","0.0963","0.1025","","","","","","1.144","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107126","23.4418","0.001","9.6272","0.0004","22.5854","0.0009","90","","116.834","0.002","90","","4548.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H70 B Fe N2 P3 Si2 -","- C42 H70 B Fe N2 P3 Si2 -","- C168 H280 B4 Fe4 N8 P12 Si8 -","4","1","","Marc-Etienne Moret; Jonas C. Peters","N2 Functionalization at Iron Metallaboratranes","Journal of the American Chemical Society","2011","133","","18118","18121","10.1021/ja208675p","","","0.71073","MoKα","","0.0581","0.0392","","","0.0883","0.0963","","","","","","1.097","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107127","22.2063","0.0011","8.6597","0.0005","17.7277","0.0009","90","","112.912","0.001","90","","3140.1","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H44 Cl Mo N3 -","- C32 H44 Cl Mo N3 -","- C128 H176 Cl4 Mo4 N12 -","4","1","","Laura C. H. Gerber; Richard R. Schrock; Peter Müller; Michael K. Takase","Synthesis of Molybdenum Alkylidene Complexes That Contain the 2,6-Dimesitylphenylimido Ligand","Journal of the American Chemical Society","2011","133","","18142","18144","10.1021/ja208936s","","","0.71073","MoKα","","0.0175","0.0169","","","0.0431","0.0434","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107128","8.5068","0.0012","10.2626","0.0014","21.51","0.003","91.532","0.003","96.714","0.003","110.575","0.003","1741.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H42 Cl2 Mo N2 -","- C39 H42 Cl2 Mo N2 -","- C78 H84 Cl4 Mo2 N4 -","2","1","","Laura C. H. Gerber; Richard R. Schrock; Peter Müller; Michael K. Takase","Synthesis of Molybdenum Alkylidene Complexes That Contain the 2,6-Dimesitylphenylimido Ligand","Journal of the American Chemical Society","2011","133","","18142","18144","10.1021/ja208936s","","","0.71073","MoKα","","0.0443","0.0349","","","0.0791","0.0837","","","","","","1.069","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107129","16.251","0.003","16.403","0.004","24.476","0.005","71.259","0.005","87.158","0.005","68.692","0.005","5739","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68.5 H78.5 Cl Mo N2 O2 -","- C68.5 H78.5 Cl Mo N2 O2 -","- C274 H314 Cl4 Mo4 N8 O8 -","4","2","","Laura C. H. Gerber; Richard R. Schrock; Peter Müller; Michael K. Takase","Synthesis of Molybdenum Alkylidene Complexes That Contain the 2,6-Dimesitylphenylimido Ligand","Journal of the American Chemical Society","2011","133","","18142","18144","10.1021/ja208936s","","","0.71073","MoKα","","0.0803","0.0445","","","0.0931","0.1095","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107130","12.4432","0.0007","21.6411","0.0012","10.2993","0.0006","90","","90","","90","","2773.4","0.3","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","2b","","","- C26 H36 Cl3 N2 Ta -","- C26 H36 Cl3 N2 Ta -","- C104 H144 Cl12 N8 Ta4 -","4","0.5","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0684","0.0573","","","0.1428","0.1495","","","","","","1.072","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107131","15.355","0.004","16.774","0.005","18.605","0.005","111.449","0.002","102.867","0.002","101.062","0.002","4146","2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","3c","","","- C74 H84 Cl15 N4 Ta3 -","- C74 H84 Cl15 N4 Ta3 -","- C148 H168 Cl30 N8 Ta6 -","2","1","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0592","0.0556","","","0.1565","0.1601","","","","","","1.025","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107132","13.951","0.005","19.163","0.007","17.893","0.007","90","","111.36","0.003","90","","4455","3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","7b","","","- C42 H52 Cl7 N2 Ta -","- C42 H52 Cl7 N2 Ta -","- C168 H208 Cl28 N8 Ta4 -","4","1","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0864","0.0522","","","0.1216","0.1689","","","","","","1.181","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107133","8.9009","0.0019","8.942","0.002","10.699","0.003","82.986","0.011","71.318","0.008","67.524","0.009","745.4","0.3","113","2","113","2","","","","","","","","5","P 1","P 1","1","8a","","","- C28 H40 Cl4 N2 Ta -","- C28 H40 Cl4 N2 Ta -","- C28 H40 Cl4 N2 Ta -","1","1","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0306","0.0296","","","0.0643","0.0644","","","","","","0.943","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107134","12.961","0.004","21.687","0.006","10.283","0.003","90","","90","","90","","2890.4","1.5","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","8b","","","- C26 H36 Cl4 N2 Ta -","- C26 H36 Cl4 N2 Ta -","- C104 H144 Cl16 N8 Ta4 -","4","0.5","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0341","0.0293","","","0.0801","0.1019","","","","","","1.256","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107135","11.424","0.003","12.975","0.003","13.899","0.004","66.732","0.006","78.476","0.009","80.581","0.009","1846.2","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","8c","","","- C79 H80 Cl8 N4 Ta2 -","- C79 H80 Cl8 N4 Ta2 -","- C79 H80 Cl8 N4 Ta2 -","1","0.5","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0335","0.0293","","","0.0715","0.0886","","","","","","1.127","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107136","16.3263","0.001","17.2761","0.001","17.4555","0.0011","90","","90.027","0.003","90","","4923.4","0.5","113","2","113","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","9b","","","- C39 H49 Cl13 Co N2 Ta -","- C39 H49 Cl13 Co N2 Ta -","- C156 H196 Cl52 Co4 N8 Ta4 -","4","1","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0981","0.0663","","","0.1618","0.2017","","","","","","1.098","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107137","13.0809","0.0018","7.9962","0.0011","17.398","0.002","90","","90","","90","","1819.8","0.4","143","2","143","2","","","","","","","","6","P m c 21","P 2c -2","26","Tp*CoNO","bergman04","","- C15 H22 B Co N7 O -","- C15 H22 B Co N7 O -","- C60 H88 B4 Co4 N28 O4 -","4","1","","Neil C. Tomson; Mark R. Crimmin; Taras Petrenko; Lauren E. Rosebrugh; Stephen Sproules; W. Christopher Boyd; Robert G. Bergman; Serena DeBeer; F. Dean Toste; Karl Wieghardt","A Step beyond the Feltham-Enemark Notation: Spectroscopic and Correlated ab Initio Computational Support for an Antiferromagnetically Coupled M(II)-(NO)-Description of Tp*M(NO) (M = Co, Ni)","Journal of the American Chemical Society","2011","133","","18785","18801","10.1021/ja206042k","","","0.71073","MoKα","","0.0591","0.0395","","","0.074","0.0827","","","","","","1.048","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4107138","8.8202","0.0016","12.356","0.002","14.331","0.003","85.144","0.003","79.217","0.003","70.279","0.002","1443.9","0.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H21 Cl2 F6 N6 O P Ru -","- C24 H21 Cl2 F6 N6 O3 P Ru -","- C48 H42 Cl4 F12 N12 O6 P2 Ru2 -","2","1","","Tomoya Ishizuka; Kengo Tobita; Yuichi Yano; Yoshihito Shiota; Kazunari Yoshizawa; Shunichi Fukuzumi; Takahiko Kojima","Proton-Coupled Electron Shuttling in a Covalently Linked Ruthenium-Copper Heterodinuclear Complex","Journal of the American Chemical Society","2011","133","","18570","18573","10.1021/ja208141b","","","0.71073","MoKα","","0.0916","0.0564","","","0.132","0.1518","","","","","","1.031","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107139","9.1358","0.0008","12.1565","0.0011","12.4654","0.0011","107.847","0.002","94.415","0.002","100.224","0.002","1284","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Fe4 N2 O12 -","- C20 H20 Fe4 N2 O12 -","- C40 H40 Fe8 N4 O24 -","2","1","","M. Diego Rail; Louise A. Berben","Directing the Reactivity of [HFe4N(CO)12]- toward H+ or CO2 Reduction by Understanding the Electrocatalytic Mechanism","Journal of the American Chemical Society","2011","133","","18577","18579","10.1021/ja208312t","","","0.71073","MoKα","","0.0661","0.0446","","","0.1018","0.1087","","","","","","1.078","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107140","16.5787","0.0003","17.3242","0.0004","22.8168","0.0005","90","","106.406","0.001","90","","6286.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H41.5 Cl N3 O2 Pd S -","- C31.5 H41.5 Cl N3 O2 Pd S -","- C252 H332 Cl8 N24 O16 Pd8 S8 -","8","2","","Paul B. White; Shannon S. Stahl","Reversible Alkene Insertion into the Pd-N Bond of Pd(II)-Sulfonamidates and Implications for Catalytic Amidation Reactions","Journal of the American Chemical Society","2011","133","","18594","18597","10.1021/ja208560h","","","1.54178","CuKα","","0.0337","0.0318","","","0.077","0.0781","","","","","","1.089","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107141","13.443","0.003","18.101","0.004","28.587","0.006","90","","90","","90","","6956","3","113.1","","113.1","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C61 H86 Ag Ge3 I P6 Pd4 -","- C61 H86 Ag Ge3 I P6 Pd4 -","- C244 H344 Ag4 Ge12 I4 P24 Pd16 -","4","1","","Makoto Tanabe; Naoko Ishikawa; Mai Chiba; Tomohito Ide; Kohtaro Osakada; Tomoaki Tanase","Tetrapalladium Complex with Bridging Germylene Ligands. Structural Change of the Planar Pd4Ge3 Core","Journal of the American Chemical Society","2011","133","","18598","18601","10.1021/ja208565q","","","0.7107","MoKα","","0.0743","0.0636","","","0.1344","0.1406","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107142","18.635","0.002","27.701","0.003","27.386","0.003","90","","99.7603","0.0014","90","","13932","3","113.1","","113.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C120 H184 Ge6 P12 Pd8 -","- C120 H170 Ge6 P12 Pd8 -","- C480 H680 Ge24 P48 Pd32 -","4","1","","Makoto Tanabe; Naoko Ishikawa; Mai Chiba; Tomohito Ide; Kohtaro Osakada; Tomoaki Tanase","Tetrapalladium Complex with Bridging Germylene Ligands. Structural Change of the Planar Pd4Ge3 Core","Journal of the American Chemical Society","2011","133","","18598","18601","10.1021/ja208565q","","","0.7107","MoKα","","0.0983","0.0799","","","0.1158","0.1225","","","","","","1.302","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107143","13.83","0.007","14.631","0.008","16.86","0.008","98.179","0.009","99.519","0.007","102.421","0.008","3229","3","163","","163","","","","","","","","","6","P -1","-P 1","2","","","","- C110 H136 Ge6 P6 Pd6 S2 -","- C110 H136 Ge6 P6 Pd6 S2 -","- C110 H136 Ge6 P6 Pd6 S2 -","1","0.5","","Makoto Tanabe; Naoko Ishikawa; Mai Chiba; Tomohito Ide; Kohtaro Osakada; Tomoaki Tanase","Tetrapalladium Complex with Bridging Germylene Ligands. Structural Change of the Planar Pd4Ge3 Core","Journal of the American Chemical Society","2011","133","","18598","18601","10.1021/ja208565q","","","0.7107","MoKα","","0.108","0.0789","","","0.2363","0.2672","","","","","","1.038","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107144","14.3194","0.0018","29.746","0.006","16.545","0.004","90","","91.426","0.007","90","","7045","2","113.1","","113.1","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61 H86 Cu Ge3 I P6 Pd4 -","- C61 H86 Cu Ge3 I P6 Pd4 -","- C244 H344 Cu4 Ge12 I4 P24 Pd16 -","4","1","","Makoto Tanabe; Naoko Ishikawa; Mai Chiba; Tomohito Ide; Kohtaro Osakada; Tomoaki Tanase","Tetrapalladium Complex with Bridging Germylene Ligands. Structural Change of the Planar Pd4Ge3 Core","Journal of the American Chemical Society","2011","133","","18598","18601","10.1021/ja208565q","","","0.7107","MoKα","","0.109","0.0787","","","0.1844","0.2065","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107145","9.1178","0.0004","13.4299","0.0006","17.0872","0.0008","90","","90.568","0.001","90","","2092.24","0.16","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Cmpd 7","","- C19 H32 Mo N4 O2 -","- C19 H32 Mo N4 O2 -","- C76 H128 Mo4 N16 O8 -","4","1","","Jonathan P. Reeds; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Carbon Monoxide-Induced N-N Bond Cleavage of Nitrous Oxide That Is Competitive with Oxygen Atom Transfer to Carbon Monoxide As Mediated by a Mo(II)/Mo(IV) Catalytic Cycle","Journal of the American Chemical Society","2011","133","","18602","18605","10.1021/ja208669s","","","0.71073","MoKα","","0.0159","0.0157","","","0.0374","0.0375","","","","","","1","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107146","5.9857","0.0009","9.3466","0.0015","9.4874","0.0015","93.652","0.003","100.48","0.003","95.083","0.003","518.15","0.14","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 N2 O4 -","- C10 H10 N2 O4 -","- C20 H20 N4 O8 -","2","1","","Matthew J. Kryger; Alexander M. Munaretto; Jeffrey S. Moore","Structure-Mechanochemical Activity Relationships for Cyclobutane Mechanophores","Journal of the American Chemical Society","2011","133","","18992","18998","10.1021/ja2086728","","","0.71073","MoKα","","0.0376","0.0337","","","0.0923","0.0947","","","","","","1.157","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107147","11.65","0.0004","5.8419","0.0003","15.9102","0.0007","90","","90","","90","","1082.82","0.08","193","2","193","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H10 N2 O4 -","- C10 H10 N2 O4 -","- C40 H40 N8 O16 -","4","0.5","","Matthew J. Kryger; Alexander M. Munaretto; Jeffrey S. Moore","Structure-Mechanochemical Activity Relationships for Cyclobutane Mechanophores","Journal of the American Chemical Society","2011","133","","18992","18998","10.1021/ja2086728","","","0.71073","MoKα","","0.0428","0.0364","","","0.0912","0.0974","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107148","12.5062","0.001","6.2721","0.0005","13.3644","0.0013","90","","113.616","0.005","90","","960.51","0.15","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N O4 -","- C9 H11 N O4 -","- C36 H44 N4 O16 -","4","1","","Matthew J. Kryger; Alexander M. Munaretto; Jeffrey S. Moore","Structure-Mechanochemical Activity Relationships for Cyclobutane Mechanophores","Journal of the American Chemical Society","2011","133","","18992","18998","10.1021/ja2086728","","","0.71073","MoKα","","0.0809","0.0487","","","0.1124","0.1306","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107149","8.78","0.005","11","0.006","17.033","0.009","90","","98.066","0.006","90","","1628.8","1.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","cis-indene carbonate","","","- C10 H8 O3 -","- C10 H8 O3 -","- C80 H64 O24 -","8","2","","Donald J. Darensbourg; Stephanie J. Wilson","Synthesis of Poly(indene carbonate) from Indene Oxide and Carbon Dioxide-A Polycarbonate with a Rigid Backbone","Journal of the American Chemical Society","2011","133","","18610","18613","10.1021/ja208711c","","","0.71073","MoKα","","0.0466","0.0369","","","0.0885","0.0951","","","","","","1.032","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107150","7.0295","0.0009","8.2003","0.001","11.7634","0.0016","90","","103.52","0.007","90","","659.3","0.15","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","indene oxide","","","- C9 H8 O -","- C9 H8 O -","- C36 H32 O4 -","4","1","","Donald J. Darensbourg; Stephanie J. Wilson","Synthesis of Poly(indene carbonate) from Indene Oxide and Carbon Dioxide-A Polycarbonate with a Rigid Backbone","Journal of the American Chemical Society","2011","133","","18610","18613","10.1021/ja208711c","","","1.54178","CuKα","","0.0614","0.0582","","","0.1362","0.1392","","","","","","1.214","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107151","12.166","0.004","7.707","0.003","17.558","0.006","90","","97.316","0.006","90","","1632.9","1","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 B N -","- C24 H16 B N -","- C96 H64 B4 N4 -","4","1","","Takuji Hatakeyama; Sigma Hashimoto; Shu Seki; Masaharu Nakamura","Synthesis of BN-Fused Polycyclic Aromatics via Tandem Intramolecular Electrophilic Arene Borylation","Journal of the American Chemical Society","2011","133","","18614","18617","10.1021/ja208950c","","","0.7107","MoKα","","","0.0543","","","","0.1372","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107152","12.169","0.003","7.6028","0.0017","17.687","0.004","90","","97.532","0.004","90","","1622.3","0.7","173","","173","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Takuji Hatakeyama; Sigma Hashimoto; Shu Seki; Masaharu Nakamura","Synthesis of BN-Fused Polycyclic Aromatics via Tandem Intramolecular Electrophilic Arene Borylation","Journal of the American Chemical Society","2011","133","","18614","18617","10.1021/ja208950c","","","0.7107","MoKα","","","0.0395","","","","0.0953","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107153","9.6585","0.0012","8.3766","0.001","13.0807","0.0015","90","","97.107","0.004","90","","1050.2","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 Br O5 -","- C23 H25 Br O5 -","- C46 H50 Br2 O10 -","2","1","","Joseph Moran; Austin G. Smith; Ryan M. Carris; Jeffrey S. Johnson; Michael J. Krische","Polarity Inversion of Donor-Acceptor Cyclopropanes: Disubstituted δ-Lactones via Enantioselective Iridium Catalysis","Journal of the American Chemical Society","2011","133","","18618","18621","10.1021/ja2090993","","","0.71075","MoKα","","0.0365","0.0332","","","0.0748","0.0768","","","","","","1.079","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107154","28.449","0.006","9.742","0.0019","24.138","0.005","90","","117.76","0.03","90","","5920","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H72 Ge2 N2 Si2 -","- C72 H72 Ge2 N2 Si2 -","- C288 H288 Ge8 N8 Si8 -","4","0.5","","Jiaye Li; Christian Schenk; Catharina Goedecke; Gernot Frenking; Cameron Jones","A Digermyne with a Ge-Ge Single Bond That Activates Dihydrogen in the Solid State","Journal of the American Chemical Society","2011","133","","18622","18625","10.1021/ja209215a","","","0.71069","Synchrotron","","0.0464","0.0444","","","0.1056","0.1069","","","","","","1.031","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107155","28.596","0.0008","9.7591","0.0002","24.3038","0.0006","90","","118.219","0.004","90","","5976.4","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H74 Ge2 N2 Si2 -","- C72 H74 Ge2 N2 Si2 -","- C288 H296 Ge8 N8 Si8 -","4","0.5","","Jiaye Li; Christian Schenk; Catharina Goedecke; Gernot Frenking; Cameron Jones","A Digermyne with a Ge-Ge Single Bond That Activates Dihydrogen in the Solid State","Journal of the American Chemical Society","2011","133","","18622","18625","10.1021/ja209215a","","","0.71073","MoKα","","0.0471","0.0356","","","0.0822","0.0877","","","","","","1.037","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107156","11.1415","0.0005","13.5993","0.0006","14.7247","0.0005","113.957","0.004","112.224","0.004","92.658","0.004","1833.89","0.17","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H96 Ge2 N2 O2 Si2 -","- C80 H96 Ge2 N2 O2 Si2 -","- C80 H96 Ge2 N2 O2 Si2 -","1","0.5","","Jiaye Li; Christian Schenk; Catharina Goedecke; Gernot Frenking; Cameron Jones","A Digermyne with a Ge-Ge Single Bond That Activates Dihydrogen in the Solid State","Journal of the American Chemical Society","2011","133","","18622","18625","10.1021/ja209215a","","","0.71073","MoKα","","0.1035","0.0718","","","0.1657","0.1873","","","","","","1.033","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107157","10.826","0.0004","13.3018","0.0005","13.9126","0.0005","117.252","0.004","99.217","0.003","99.726","0.003","1689.77","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H86 Ge2 N2 O2 Si2 -","- C76 H86 Ge2 N2 O2 Si2 -","- C76 H86 Ge2 N2 O2 Si2 -","1","0.5","","Jiaye Li; Christian Schenk; Catharina Goedecke; Gernot Frenking; Cameron Jones","A Digermyne with a Ge-Ge Single Bond That Activates Dihydrogen in the Solid State","Journal of the American Chemical Society","2011","133","","18622","18625","10.1021/ja209215a","","","0.71073","MoKα","","0.1041","0.0582","","","0.0888","0.1045","","","","","","0.987","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107158","12.375","0.003","21.468","0.004","14.592","0.003","90","","107.58","0.03","90","","3695.6","1.5","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C80 H95 Ge2 K N2 O2 Si2 -","- C80 H95 Ge2 K N2 O2 Si2 -","- C160 H190 Ge4 K2 N4 O4 Si4 -","2","1","","Jiaye Li; Christian Schenk; Catharina Goedecke; Gernot Frenking; Cameron Jones","A Digermyne with a Ge-Ge Single Bond That Activates Dihydrogen in the Solid State","Journal of the American Chemical Society","2011","133","","18622","18625","10.1021/ja209215a","","","0.71073","MoKα","","0.0718","0.049","","","0.0823","0.0912","","","","","","1.073","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107159","9.3325","0.0009","13.9742","0.0014","30.898","0.003","90","","90","","90","","4029.5","0.7","","","","","","","","","","","heptane,propanole","4","P 21 21 21","P 2ac 2ab","19","","Title","","- C25 H22 I N -","- C25 H22 I N -","- C200 H176 I8 N8 -","8","2","","Steffen Müller; Matthew J. Webber; Benjamin List","The Catalytic Asymmetric Fischer Indolization","Journal of the American Chemical Society","2011","133","","18534","18537","10.1021/ja2092163","","","","","","","","","","","","","","","","","","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107160","9.7906","0.0005","12.3495","0.0007","14.1529","0.0008","90.083","0.001","106.97","0.001","111.328","0.001","1513.45","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H30 F6 Ir N5 O6 S2 -","- C24 H30 F6 Ir N5 O6 S2 -","- C48 H60 F12 Ir2 N10 O12 S4 -","2","1","","Douglas B. Grotjahn; Derek B. Brown; Jessica K. Martin; David C. Marelius; Marie-Caline Abadjian; Hai N. Tran; Gregory Kalyuzhny; Kenneth S. Vecchio; Zephen G. Specht; Sara A. Cortes-Llamas; Valentin Miranda-Soto; Christoffel van Niekerk; Curtis E. Moore; Arnold L. Rheingold","Evolution of Iridium-Based Molecular Catalysts during Water Oxidation with Ceric Ammonium Nitrate","Journal of the American Chemical Society","2011","133","","19024","19027","10.1021/ja203095k","","","0.71073","MoKα","","0.039","0.0333","","","0.0682","0.0715","","","","","","1.051","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107161","12.9799","0.0007","14.7278","0.0007","16.9878","0.0008","67.787","0.002","82.985","0.002","81.55","0.002","2966","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 B F24 N3 Pt -","- C58 H44 B F24 N3 Pt -","- C116 H88 B2 F48 N6 Pt2 -","2","1","","Bradley A. McKeown; Hector Emanuel Gonzalez; Max R. Friedfeld; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat","Mechanistic Studies of Ethylene Hydrophenylation Catalyzed by Bipyridyl Pt(II) Complexes","Journal of the American Chemical Society","2011","133","","19131","19152","10.1021/ja206064v","","","0.71073","MoKα","","0.0649","0.0463","","","0.1209","0.1349","","","","","","0.892","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107162","10.2446","0.0002","10.4139","0.0002","14.1631","0.0003","81.36","0.001","78.361","0.001","82.855","0.001","1456.22","0.05","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C60 H49 B F24 N2 Pt -","- C60 H49 B F24 N2 Pt -","- C60 H49 B F24 N2 Pt -","1","1","","Bradley A. McKeown; Hector Emanuel Gonzalez; Max R. Friedfeld; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat","Mechanistic Studies of Ethylene Hydrophenylation Catalyzed by Bipyridyl Pt(II) Complexes","Journal of the American Chemical Society","2011","133","","19131","19152","10.1021/ja206064v","","","0.71073","MoKα","","0.0237","0.0237","","","0.0616","0.0616","","","","","","0.976","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107163","18.169","0.0005","21.4934","0.0006","24.074","0.0006","90","","90","","90","","9401.2","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C94.7 H80.75 Br4 O11.3 Rh2 -","- C94.7 H80.75 Br4 O11.3 Rh2 -","- C378.8 H323 Br16 O45.2 Rh8 -","4","1","","Changming Qin; Vyacheslav Boyarskikh; Jørn H. Hansen; Kenneth I. Hardcastle; Djamaladdin G. Musaev; Huw M. L. Davies","D2-Symmetric Dirhodium Catalyst Derived from a 1,2,2-Triarylcyclopropanecarboxylate Ligand: Design, Synthesis and Application","Journal of the American Chemical Society","2011","133","","19198","19204","10.1021/ja2074104","","","1.54178","CuKα","","0.0461","0.0446","","","0.1319","0.1338","","","","","","1.07","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107164","9.6051","0.0007","14.9897","0.0009","24.7674","0.0017","90","","96.221","0.003","90","","3545","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H48 B2 Cl2 N2 -","- C39 H48 B2 Cl2 N2 -","- C156 H192 B8 Cl8 N8 -","4","1","","Philipp Bissinger; Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kupfer; Krzysztof Radacki; Katharina Wagner","Generation of a Carbene-Stabilized Bora-borylene and its Insertion into a C-H Bond","Journal of the American Chemical Society","2011","133","","19044","19047","10.1021/ja208372k","","","0.71073","MoKα","","0.0504","0.0377","","","0.0921","0.1006","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107165","16.1228","0.0008","20.1874","0.0011","12.8165","0.0007","90","","108.469","0.002","90","","3956.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 B2 N2 -","- C46 H56 B2 N2 -","- C184 H224 B8 N8 -","4","1","","Philipp Bissinger; Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kupfer; Krzysztof Radacki; Katharina Wagner","Generation of a Carbene-Stabilized Bora-borylene and its Insertion into a C-H Bond","Journal of the American Chemical Society","2011","133","","19044","19047","10.1021/ja208372k","","","0.71073","MoKα","","0.0866","0.0568","","","0.1458","0.1647","","","","","","1.037","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107166","7.9621","0.001","20.604","0.003","26.06","0.004","90","","92.513","0.007","90","","4271.1","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 B Br2 N2 -","- C11 H19 B Br2 N2 -","- C132 H228 B12 Br24 N24 -","12","3","","Philipp Bissinger; Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kupfer; Krzysztof Radacki; Katharina Wagner","Generation of a Carbene-Stabilized Bora-borylene and its Insertion into a C-H Bond","Journal of the American Chemical Society","2011","133","","19044","19047","10.1021/ja208372k","","","0.71073","MoKα","","0.0415","0.0332","","","0.079","0.0838","","","","","","1.028","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107167","44.004","0.002","12.4437","0.0007","10.1127","0.0005","90","","90.85","0.001","90","","5536.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Cl N -","- C32 H44 Cl N -","- C256 H352 Cl8 N8 -","8","2","","Shibu Abraham; Richard G. Weiss","'Remote' Adiabatic Photoinduced Deprotonation and Aggregate Formation of Amphiphilic N-Alkyl-N-methyl-3-(pyren-1-yl)propan-1-ammonium Chloride Salts","Journal of the American Chemical Society","2011","133","","19250","19256","10.1021/ja208674s","","x-ray","0.71073","MoKα","","0.0717","0.0495","","","0.112","0.1201","","","","","","1.027","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107168","21.2913","0.0006","23.7666","0.0008","21.8524","0.0009","90","","100.523","0.003","90","","10871.8","0.7","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","[((iPrNHC)Cu-CO2-SiMe2Ph)(pinB-CO2-SiMe2Ph)]","","","- C53.5 H76 B Cu N2 O6 Si2 -","- C53.5 H76 B Cu N2 O6 Si2 -","- C428 H608 B8 Cu8 N16 O48 Si16 -","8","4","","Christian Kleeberg; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Copper-Mediated Reduction of CO2 with pinB-SiMe2Ph via CO2 Insertion into a Copper-Silicon Bond","Journal of the American Chemical Society","2011","133","","19060","19063","10.1021/ja208969d","","","1.54184","CuKα","","0.1156","0.0732","","","0.1681","0.193","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107169","13.5028","0.0004","17.0624","0.0005","18.3259","0.0006","71.894","0.001","81.313","0.001","73.53","0.001","3839.2","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","[(iPrNHC)Cu-CO2-SiMe2Ph]","","","- C39 H54 Cu N2 O2 Si -","- C39 H54 Cu N2 O2 Si -","- C156 H216 Cu4 N8 O8 Si4 -","4","2","","Christian Kleeberg; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Copper-Mediated Reduction of CO2 with pinB-SiMe2Ph via CO2 Insertion into a Copper-Silicon Bond","Journal of the American Chemical Society","2011","133","","19060","19063","10.1021/ja208969d","","","0.71073","MoKα","","0.0853","0.059","","","0.1534","0.1727","","","","","","1.075","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107170","12.9446","0.0002","16.1548","0.0003","20.9756","0.0003","86.428","0.001","72.63","0.001","69.661","0.002","3921.11","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[(iPrNHC)Cu-CO2-SiMe2Ph]","","","- C37.33 H48.52 Cu N2 O2 Si -","- C37.3355 H48.5268 Cu N2 O2 Si1.00025 -","- C149.342 H194.107 Cu4 N8 O8 Si4.001 -","4","2","","Christian Kleeberg; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Copper-Mediated Reduction of CO2 with pinB-SiMe2Ph via CO2 Insertion into a Copper-Silicon Bond","Journal of the American Chemical Society","2011","133","","19060","19063","10.1021/ja208969d","","","0.71073","MoKα","","0.0766","0.0585","","","0.1582","0.1698","","","","","","1.057","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107171","10.4429","0.0001","20.2606","0.0002","18.8888","0.0002","90","","95.372","0.001","90","","3978.93","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(iPrNHC)Cu-O-SiMe2Ph]","","","- C42 H55 Cu N2 O Si -","- C42 H55 Cu N2 O Si -","- C168 H220 Cu4 N8 O4 Si4 -","4","1","","Christian Kleeberg; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Copper-Mediated Reduction of CO2 with pinB-SiMe2Ph via CO2 Insertion into a Copper-Silicon Bond","Journal of the American Chemical Society","2011","133","","19060","19063","10.1021/ja208969d","","","1.54184","CuKα","","0.0453","0.0445","","","0.1086","0.109","","","","","","1.125","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107172","10.2902","0.0002","20.1875","0.0004","18.9985","0.0002","90","","97.761","0.002","90","","3910.47","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(iPrNHC)Cu-SiMe2Ph]","","","- C41.21 H56.57 Cu N2 Si -","- C41.214 H56.572 Cu N2 Si -","- C164.856 H226.288 Cu4 N8 Si4 -","4","1","","Christian Kleeberg; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Copper-Mediated Reduction of CO2 with pinB-SiMe2Ph via CO2 Insertion into a Copper-Silicon Bond","Journal of the American Chemical Society","2011","133","","19060","19063","10.1021/ja208969d","","","0.71073","MoKα","","0.0531","0.0403","","","0.0862","0.0913","","","","","","1.068","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107173","4.7093","0.0004","9.813","0.0008","30.237","0.003","90","","90","","90","","1397.3","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C56 H68 N4 O12 S4 -","4","1","","Will R. Gutekunst; Phil S. Baran","Total Synthesis and Structural Revision of the Piperarborenines via Sequential Cyclobutane C-H Arylation","Journal of the American Chemical Society","2011","133","","19076","19079","10.1021/ja209205x","","","0.71073","MoKα","","0.0354","0.0332","","","0.0881","0.0913","","","","","","0.966","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107174","12.6275","0.0004","8.5892","0.0003","20.4658","0.0006","90","","99.32","","90","","2190.42","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O6 S -","- C23 H27 N O6 S -","- C92 H108 N4 O24 S4 -","4","1","","Will R. Gutekunst; Phil S. Baran","Total Synthesis and Structural Revision of the Piperarborenines via Sequential Cyclobutane C-H Arylation","Journal of the American Chemical Society","2011","133","","19076","19079","10.1021/ja209205x","","","0.71073","MoKα","","0.0385","0.034","","","0.0815","0.0857","","","","","","1.065","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107175","19.0063","0.0005","9.0198","0.0003","20.7729","0.0006","90","","100.566","0.002","90","","3500.78","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H43 N O10 S -","- C36 H43 N O10 S -","- C144 H172 N4 O40 S4 -","4","1","","Will R. Gutekunst; Phil S. Baran","Total Synthesis and Structural Revision of the Piperarborenines via Sequential Cyclobutane C-H Arylation","Journal of the American Chemical Society","2011","133","","19076","19079","10.1021/ja209205x","","","0.71073","MoKα","","0.1209","0.0775","","","0.2103","0.2474","","","","","","1.015","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107176","30.384","0.004","18.213","0.003","12.9003","0.0015","90","","95.38","0.01","90","","7107.4","1.7","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H26 N2 O8 -","- C48 H26 N2 O8 -","- C384 H208 N16 O64 -","8","1","","Zhixue Zhu; Christine J. Cardin; Yu Gan; Claire A. Murray; Andrew J. P. White; David J. Williams; Howard M. Colquhoun","Conformational Modulation of Sequence Recognition in Synthetic Macromolecules","Journal of the American Chemical Society","2011","133","","19442","19447","10.1021/ja2067115","","","1.54178","CuKα","","0.0884","0.0572","","","0.1448","0.1602","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107177","15.9918","0.0002","35.2582","0.0005","26.4571","0.0003","90","","102.261","0.001","90","","14577.4","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C89 H53 N5 O10 -","- C89 H53 N5 O10 -","- C712 H424 N40 O80 -","8","2","","Zhixue Zhu; Christine J. Cardin; Yu Gan; Claire A. Murray; Andrew J. P. White; David J. Williams; Howard M. Colquhoun","Conformational Modulation of Sequence Recognition in Synthetic Macromolecules","Journal of the American Chemical Society","2011","133","","19442","19447","10.1021/ja2067115","","","1.5418","CuKα","","0.1406","0.1122","","0.3069","0.2697","0.3069","","","","","","0.9523","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107178","10.5615","0.0016","19.679","0.003","22.733","0.003","90","","99.964","0.008","90","","4653.6","1.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H70 Dy Li O3 Si4 -","- C39.5 H70 Dy Li O3 Si4 -","- C158 H280 Dy4 Li4 O12 Si16 -","4","1","","Matthew Jeletic; Po-Heng Lin; Jennifer J. Le Roy; Ilia Korobkov; Serge I. Gorelsky; Muralee Murugesu","An Organometallic Sandwich Lanthanide Single-Ion Magnet with an Unusual Multiple Relaxation Mechanism","Journal of the American Chemical Society","2011","133","","19286","19289","10.1021/ja207891y","","","0.71073","MoKα","","0.0323","0.0254","","","0.0653","0.0693","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107179","8.735","0.004","15.966","0.008","13.967","0.007","90","","99.947","0.006","90","","1918.6","1.6","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H30 Cl2 O8 P2 -","- C45 H30 Cl2 O8 P2 -","- C90 H60 Cl4 O16 P4 -","2","1","","Norie Momiyama; Tohru Konno; Yuichi Furiya; Takeaki Iwamoto; Masahiro Terada","Design of Chiral Bis-phosphoric Acid Catalyst Derived from (R)-3,3'-Di(2-hydroxy-3-arylphenyl)binaphthol: Catalytic Enantioselective Diels-Alder Reaction of α,β-Unsaturated Aldehydes with Amidodienes","Journal of the American Chemical Society","2011","133","","19294","19297","10.1021/ja2081444","","","0.71073","MoKα","","0.0727","0.0554","","","0.1257","0.136","","","","","","1.03","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107180","12.08","0.0002","6.576","0.0001","19.293","0.0004","90","","104.5","0.001","90","","1483.78","0.05","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H15 N O2 S -","- C18 H15 N O2 S -","- C72 H60 N4 O8 S4 -","4","1","","Ourida Saidi; Jameel Marafie; Araminta E. W. Ledger; Po Man Liu; Mary F. Mahon; Gabriele Kociok-Köhn; Michael K. Whittlesey; Christopher G. Frost","Ruthenium-Catalyzed Meta Sulfonation of 2-Phenylpyridines","Journal of the American Chemical Society","2011","133","","19298","19301","10.1021/ja208286b","","","0.71073","MoKα","","0.0506","0.0391","","","0.0941","0.1002","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107181","8.297","0.0012","17.003","0.0019","12.099","0.0016","90","","100.028","0.009","90","","1680.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N O2 S -","- C21 H15 N O2 S -","- C84 H60 N4 O8 S4 -","4","1","","Ourida Saidi; Jameel Marafie; Araminta E. W. Ledger; Po Man Liu; Mary F. Mahon; Gabriele Kociok-Köhn; Michael K. Whittlesey; Christopher G. Frost","Ruthenium-Catalyzed Meta Sulfonation of 2-Phenylpyridines","Journal of the American Chemical Society","2011","133","","19298","19301","10.1021/ja208286b","","","0.71073","MoKα","","0.1046","0.0739","","","0.1759","0.1977","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107182","11.6399","0.0004","6.7536","0.0002","17.8463","0.0007","90","","92.162","0.002","90","","1401.92","0.08","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H12 F N O2 S -","- C17 H12 F N O2 S -","- C68 H48 F4 N4 O8 S4 -","4","1","","Ourida Saidi; Jameel Marafie; Araminta E. W. Ledger; Po Man Liu; Mary F. Mahon; Gabriele Kociok-Köhn; Michael K. Whittlesey; Christopher G. Frost","Ruthenium-Catalyzed Meta Sulfonation of 2-Phenylpyridines","Journal of the American Chemical Society","2011","133","","19298","19301","10.1021/ja208286b","","","0.71073","MoKα","","0.0582","0.0403","","","0.0928","0.1012","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107183","9.919","0.003","7.278","0.002","9.294","0.003","90","","117.149","0.005","90","","597","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 B N -","- C4 H12 B N -","- C16 H48 B4 N4 -","4","1","","Wei Luo; Patrick G. Campbell; Lev N. Zakharov; Shih-Yuan Liu","A Single-Component Liquid-Phase Hydrogen Storage Material","Journal of the American Chemical Society","2011","133","","19326","19329","10.1021/ja208834v","","","0.71073","MoKα","","0.0884","0.071","","","0.1978","0.2147","","","","","","1.081","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107184","7.8247","0.0014","15.827","0.003","13.759","0.002","90","","91.391","0.003","90","","1703.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 B N O2 -","- C6 H16 B N O2 -","- C48 H128 B8 N8 O16 -","8","2","","Wei Luo; Patrick G. Campbell; Lev N. Zakharov; Shih-Yuan Liu","A Single-Component Liquid-Phase Hydrogen Storage Material","Journal of the American Chemical Society","2011","133","","19326","19329","10.1021/ja208834v","","","0.71073","MoKα","","0.1099","0.067","","","0.147","0.1701","","","","","","1.043","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107185","11.048","0.004","16.791","0.006","19.079","0.007","71.951","0.005","73.731","0.005","77.086","0.005","3194","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Sc2C2@Cs(6)-C82Triphenyle","Sc2C2@Cs(6)-C82Triphenylemethyl pyrrolidine","","- C117.5 H44 N Sc2 -","- C117.508 H44 N Sc2.0002 -","- C235.016 H88 N2 Sc4.0004 -","2","1","","Xing Lu; Koji Nakajima; Yuko Iiduka; Hidefumi Nikawa; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka","Structural Elucidation and Regioselective Functionalization of An Unexplored Carbide Cluster Metallofullerene Sc2C2@Cs(6)-C82","Journal of the American Chemical Society","2011","133","","19553","19558","10.1021/ja208841w","","","0.71073","MoKα","","0.1589","0.0935","","","0.2089","0.2478","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107186","20.4","0.002","16.8402","0.0018","21.336","0.002","90","","92.337","0.002","90","","7323.7","1.3","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H58 F12 Fe N11 O1.5 P2 -","- C78 H58 F12 Fe N11 O1.5 P2 -","- C312 H232 F48 Fe4 N44 O6 P8 -","4","1","","S. Alan Cramer; David M. Jenkins","Synthesis of Aziridines from Alkenes and Aryl Azides with a Reusable Macrocyclic Tetracarbene Iron Catalyst","Journal of the American Chemical Society","2011","133","","19342","19345","10.1021/ja2090965","","","0.71073","MoKα","","0.085","0.0655","","","0.1811","0.2009","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107187","17.61","0.0005","17.61","0.0005","17.61","0.0005","90","","90","","90","","5461.1","0.3","293","2","293","2","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","","","- Cu12 K12 Sn21 -","- Cu12 K12.005 Sn21 -","- Cu48 K48.02 Sn84 -","4","0.0833333","","Saskia Stegmaier; Thomas F. Fässler","A Bronze Matryoshka: The Discrete Intermetalloid Cluster [Sn@Cu12@Sn20]^12-^ in the Ternary Phases A~12~Cu~12~Sn~21~ (A = Na, K)","Journal of the American Chemical Society","2011","133","","19758","19768","10.1021/ja205934p","","x-ray","0.71073","MoKα","","0.0417","0.04","","","0.0613","0.0618","","","","","","1.519","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107188","16.6253","0.0003","16.6253","0.0003","16.6253","0.0003","90","","90","","90","","4595.24","0.14","293","2","293","2","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","","","- Cu4 Na4 Sn7 -","- Cu4 Na4.08667 Sn7 -","- Cu48 Na49.04 Sn84 -","12","0.25","","Saskia Stegmaier; Thomas F. Fässler","A Bronze Matryoshka: The Discrete Intermetalloid Cluster [Sn@Cu12@Sn20]^12-^ in the Ternary Phases A~12~Cu~12~Sn~21~ (A = Na, K)","Journal of the American Chemical Society","2011","133","","19758","19768","10.1021/ja205934p","","x-ray","0.71073","MoKα","","0.0356","0.0354","","","0.0716","0.0716","","","","","","1.643","","","","has coordinates","289785","2024-02-12","08:29:27",""
"4107189","6.389","0.005","9.097","0.007","16.659","0.008","96.44","0.05","95.07","0.05","106.06","0.04","917.3","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 I3 S16 -","- C24 H24 I3 S16 -","- C24 H24 I3 S16 -","1","0.5","","Koichi Kikuchi; Takayuki Isono; Masayuki Kojima; Haruo Yoshimoto; Takeshi Kodama; Wataru Fujita; Keiichi Yokogawa; Harukazu Yoshino; Keizo Murata; Takayuki Kaihatsu; Hiroki Akutsu; Jun-ichi Yamada","Uniaxial Strain Orientation Dependence of Superconducting Transition Temperature (Tc) and Critical Superconducting Pressure (Pc) in β-(BDA-TTP)2I3","Journal of the American Chemical Society","2011","133","","19590","19593","10.1021/ja207353x","","","0.71073","MoKα","","0.0525","0.04","","","0.0828","0.0871","","","","","","1.288","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107190","14.3818","0.0006","6.4515","0.0003","15.0178","0.0006","90","","103.037","0.002","90","","1357.5","0.1","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H39 N O4 S Si -","- C27 H39 N O4 S Si -","- C54 H78 N2 O8 S2 Si2 -","2","1","","Ke Kong; Ziad Moussa; Changsuk Lee; Daniel Romo","Total Synthesis of the Spirocyclic Imine Marine Toxin (-)-Gymnodimine and an Unnatural C4-Epimer","Journal of the American Chemical Society","2011","133","","19844","19856","10.1021/ja207385y","","","1.54178","CuKα","","0.075","0.0711","","","0.1743","0.19","","","","","","1.089","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107191","6.79","0.002","14.525","0.005","26.401","0.01","90","","90","","90","","2603.8","1.5","110","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N O7 -","- C27 H35 N O7 -","- C108 H140 N4 O28 -","4","1","","Ke Kong; Ziad Moussa; Changsuk Lee; Daniel Romo","Total Synthesis of the Spirocyclic Imine Marine Toxin (-)-Gymnodimine and an Unnatural C4-Epimer","Journal of the American Chemical Society","2011","133","","19844","19856","10.1021/ja207385y","","","0.71073","MoKα","","0.0786","0.0489","","","0.1071","0.122","","","","","","1.04","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107192","10.083","0.006","10.455","0.005","15.23","0.007","84.552","0.007","88.78","0.01","62.157","0.006","1412.7","1.3","110","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H42.5 F3 N O5.5 -","- C29 H42 F3 N O5.25 -","- C58 H84 F6 N2 O10.5 -","2","2","","Ke Kong; Ziad Moussa; Changsuk Lee; Daniel Romo","Total Synthesis of the Spirocyclic Imine Marine Toxin (-)-Gymnodimine and an Unnatural C4-Epimer","Journal of the American Chemical Society","2011","133","","19844","19856","10.1021/ja207385y","","","0.71073","MoKα","","0.1595","0.0957","","","0.23","0.2753","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107193","39.4197","0.0011","13.7261","0.0004","30.1648","0.0009","90","","122.154","0.001","90","","13818.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H90 Cl N13 O13 -","- C61.876 H86.628 Cl N13 O13 -","- C495.008 H693.024 Cl8 N104 O104 -","8","1","","Jide Xu; Todd M. Corneillie; Evan G. Moore; Ga-Lai Law; Nathaniel G. Butlin; Kenneth N. Raymond","Octadentate Cages of Tb(III) 2-Hydroxyisophthalamides: A New Standard for Luminescent Lanthanide Labels","Journal of the American Chemical Society","2011","133","","19900","19910","10.1021/ja2079898","","","1.54178","CuKα","","0.0548","0.0507","","","0.146","0.1495","","","","","","1.035","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107194","9.0591","0.0004","17.7788","0.0009","24.8997","0.0014","90","","90","","90","","4010.3","0.4","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","7","","","- C40 H63 N2 O2 Si Y -","- C40 H63 N2 O2 Si Y -","- C160 H252 N8 O8 Si4 Y4 -","4","1","","Hiroshi Kaneko; Haruki Nagae; Hayato Tsurugi; Kazushi Mashima","End-Functionalized Polymerization of 2-Vinylpyridine through Initial C-H Bond Activation of N-Heteroaromatics and Internal Alkynes by Yttrium Ene-Diamido Complexes","Journal of the American Chemical Society","2011","133","","19626","19629","10.1021/ja208293h","","","0.71075","MoKα","","0.0721","0.051","","","0.0993","0.1207","","","","","","1.04","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107195","17.407","0.004","37.264","0.008","29.795","0.006","90","","101.927","0.003","90","","18909","7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C83 H55 Cl3 F3 N8 O2 P1.5 S8 -","- C83 H55 Cl3 F3 N8 O2 P1.5 S8 -","- C664 H440 Cl24 F24 N64 O16 P12 S64 -","8","1","","Nagao Kobayashi; Taniyuki Furuyama; Koh Satoh","Rationally Designed Phthalocyanines Having Their Main Absorption Band beyond 1000 nm","Journal of the American Chemical Society","2011","133","","19642","19645","10.1021/ja208481q","","","0.71073","MoKα","","0.2032","0.0879","","","0.2228","0.2526","","","","","","0.845","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107196","21.535","0.004","22.948","0.005","25.314","0.005","97.01","0.03","101.86","0.03","92.81","0.03","12116","5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C216 H176 F24 N8 O40 Ru8 S8 -","- C216 H176 F24 N8 O40 Ru8 S8 -","- C432 H352 F48 N16 O80 Ru16 S16 -","2","1","","Vaishali Vajpayee; Young Ho Song; Timothy R. Cook; Hyunuk Kim; Youngil Lee; Peter J. Stang; Ki-Whan Chi","A Unique Non-catenane Interlocked Self-Assembled Supramolecular Architecture and Its Photophysical Properties","Journal of the American Chemical Society","2011","133","","19646","19649","10.1021/ja208495u","","","0.9","synchrotron","","0.1198","0.0939","","","0.2812","0.3001","","","","","","1.209","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107197","6.041","0.01","8.879","0.014","14.65","0.02","77.063","0.019","79.437","0.019","85.652","0.018","752","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,2,4-triazole-3,5-diamine (E)-1,2-bis(3-(trinitromethyl)-1H-1,2,4- triazol-5-yl)diazene methanol hydrate","","- C6 H11 N12 O8 -","- C6 H11 N12 O8 -","- C12 H22 N24 O16 -","2","1","","Venugopal Thottempudi; Jean'ne M. Shreeve","Synthesis and Promising Properties of a New Family of High-Density Energetic Salts of 5-Nitro-3-trinitromethyl-1H-1,2,4-triazole and 5,5'-Bis(trinitromethyl)-3,3'-azo-1H-1,2,4-triazole","Journal of the American Chemical Society","2011","133","","19982","19992","10.1021/ja208990z","","","0.71073","MoKα","","0.1698","0.075","","","0.1749","0.2242","","","","","","0.981","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107198","5.0968","0.0006","5.0968","0.0006","4.4553","0.0007","90","","90","","120","","100.23","0.02","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C Ca F K O3 -","- C Ca F K O3 -","- C Ca F K O3 -","1","0.0833333","","Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin","Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials","Journal of the American Chemical Society","2011","133","","20001","20007","10.1021/ja209276a","","","0.71073","MoKα","","0.0108","0.0108","","","0.0272","0.0272","","","","","","1.26","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107199","5.2598","0.0005","5.2598","0.0005","4.6956","0.0011","90","","90","","120","","112.5","0.03","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C F K O3 Sr -","- C F K O3 Sr -","- C F K O3 Sr -","1","0.0833333","","Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin","Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials","Journal of the American Chemical Society","2011","133","","20001","20007","10.1021/ja209276a","","","0.71073","MoKα","","0.0152","0.0152","","","0.0267","0.0267","","","","","","0.891","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107200","9.1979","0.0006","9.1979","0.0006","4.4463","0.0006","90","","90","","120","","325.77","0.05","293","2","293","2","","","","","","","","5","P -6 2 m","P -6 -2","189","","","","- C Ca F O3 Rb -","- C Ca F O3 Rb -","- C3 Ca3 F3 O9 Rb3 -","3","0.25","","Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin","Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials","Journal of the American Chemical Society","2011","133","","20001","20007","10.1021/ja209276a","","","0.71073","MoKα","","0.0198","0.0195","","","0.0352","0.0353","","","","","","0.976","","","","has coordinates","273129","2022-02-23","10:11:33",""
"4107201","5.3","0.0004","5.3","0.0004","4.79","0.0006","90","","90","","120","","116.525","0.019","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C F O3 Rb Sr -","- C F O3 Rb Sr -","- C F O3 Rb Sr -","1","0.0833333","","Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin","Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials","Journal of the American Chemical Society","2011","133","","20001","20007","10.1021/ja209276a","","","0.71073","MoKα","","0.0246","0.0239","","","0.05","0.0501","","","","","","1.071","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107202","9.2999","0.0004","9.2999","0.0004","4.54","0.0003","90","","90","","120","","340.05","0.03","293","2","293","2","","","","","","","","5","P -6 2 m","P -6 -2","189","","","","- C Ca Cs F O3 -","- C Ca Cs F O3 -","- C3 Ca3 Cs3 F3 O9 -","3","0.25","","Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin","Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials","Journal of the American Chemical Society","2011","133","","20001","20007","10.1021/ja209276a","","","0.71073","MoKα","","0.0182","0.0182","","","0.0449","0.0449","","","","","","1.306","","","","has coordinates","273129","2022-02-23","10:11:33",""
"4107203","11.5158","0.0009","11.5158","0.0009","7.6132","0.0012","90","","90","","120","","874.35","0.17","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C3 Ba4 Cs3 F5 O9 -","- C3 Ba4 Cs3 F5 O9 -","- C6 Ba8 Cs6 F10 O18 -","2","0.166667","","Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin","Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials","Journal of the American Chemical Society","2011","133","","20001","20007","10.1021/ja209276a","","","0.71073","MoKα","","0.0201","0.0188","","","0.037","0.0446","","","","","","1.167","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107204","74.992","0.003","74.992","0.003","74.992","0.003","90","","90","","90","","421740","3","90","2","90","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C58.65 H45.93 Co N12.72 O2.72 S2 -","- C58.724 H45.997 Co N12.727 O2.727 S2 -","- C11275 H8831.42 Co192 N2443.58 O523.584 S384 -","192","1","","Yasuhide Inokuma; Nodoka Kojima; Tatsuhiko Arai; Makoto Fujita","Bimolecular Reaction via the Successive Introduction of Two Substrates into the Crystals of Networked Molecular Cages","Journal of the American Chemical Society","2011","133","","19691","19693","10.1021/ja209290t","","","0.71073","MoKα","","0.1747","0.1581","","","0.3892","0.3986","","","","","","2.894","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107205","4.6161","0.0004","10.4035","0.0008","19.2977","0.0013","90","","90","","90","","926.74","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aR,9aS)-4-hydroxy-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-one","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","","Michael Binanzer; Sheng-Ying Hsieh; Jeffrey W. Bode","Catalytic Kinetic Resolution of Cyclic Secondary Amines","Journal of the American Chemical Society","2011","133","","19698","19701","10.1021/ja209472h","","","1.54178","CuKα","","0.0699","0.0436","","","0.1064","0.1239","","","","","","0.794","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107206","7.9767","0.0013","13.028","0.002","13.623","0.003","100.705","0.002","101.795","0.003","97.157","0.003","1342.1","0.4","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H90 Br2 Si2 -","- C56 H90 Br2 Si2 -","- C56 H90 Br2 Si2 -","1","0.5","","Katsunori Suzuki; Tsukasa Matsuo; Daisuke Hashizume; Kohei Tamao","Room-Temperature Dissociation of 1,2-Dibromodisilenes to Bromosilylenes","Journal of the American Chemical Society","2011","133","","19710","19713","10.1021/ja209736d","","","0.71073","MoKα","","0.0556","0.0386","","","0.0941","0.103","","","","","","1.026","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107207","19.547","0.003","12.545","0.0019","14.345","0.002","90","","90","","90","","3517.6","0.9","153","","153","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H55 Br N2 Si -","- C39 H55 Br N2 Si -","- C156 H220 Br4 N8 Si4 -","4","1","","Katsunori Suzuki; Tsukasa Matsuo; Daisuke Hashizume; Kohei Tamao","Room-Temperature Dissociation of 1,2-Dibromodisilenes to Bromosilylenes","Journal of the American Chemical Society","2011","133","","19710","19713","10.1021/ja209736d","","","0.71073","MoKα","","0.0549","0.0408","","","0.0769","0.0833","","","","","","0.97","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107208","21.785","0.003","12.4724","0.0015","25.669","0.003","90","","98.697","0.002","90","","6894.4","1.5","223","","223","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H55 Br Si3 -","- C32 H55 Br Si3 -","- C256 H440 Br8 Si24 -","8","2","","Katsunori Suzuki; Tsukasa Matsuo; Daisuke Hashizume; Kohei Tamao","Room-Temperature Dissociation of 1,2-Dibromodisilenes to Bromosilylenes","Journal of the American Chemical Society","2011","133","","19710","19713","10.1021/ja209736d","","","0.71073","MoKα","","0.1105","0.0694","","","0.1738","0.1992","","","","","","1.075","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107209","14.239","0.003","8.1646","0.0017","15.033","0.003","90","","92.854","0.003","90","","1745.5","0.6","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O3 S -","- C20 H17 N3 O3 S -","- C80 H68 N12 O12 S4 -","4","1","","Debashis Mandal; Atsushi D. Yamaguchi; Junichiro Yamaguchi; Kenichiro Itami","Synthesis of Dragmacidin D via Direct C-H Couplings","Journal of the American Chemical Society","2011","133","","19660","19663","10.1021/ja209945x","","","0.7107","MoKα","","0.0514","0.0418","","","0.0994","0.1059","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107210","9.588","0.004","10.753","0.004","15.679","0.006","94.815","0.008","95.074","0.004","101.252","0.007","1570.7","1.1","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H35 Br N4 O5 S -","- C35 H35 Br N4 O5 S -","- C70 H70 Br2 N8 O10 S2 -","2","1","","Debashis Mandal; Atsushi D. Yamaguchi; Junichiro Yamaguchi; Kenichiro Itami","Synthesis of Dragmacidin D via Direct C-H Couplings","Journal of the American Chemical Society","2011","133","","19660","19663","10.1021/ja209945x","","","0.7107","MoKα","","0.0855","0.0579","","","0.1047","0.12","","","","","","1.106","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107211","5.465","0.002","6.41","0.003","10.984","0.005","90","","90","","90","","384.8","0.3","110","2","110","2","","","","","","","see text","3","P n m a","-P 2ac 2n","62","hydroxyacetone","1-hydroxypropan-2-one","","- C3 H6 O2 -","- C3 H6 O2 -","- C12 H24 O8 -","4","0.5","","Archna Sharma; Igor Reva; Rui Fausto; Susanne Hesse; Zhifeng Xue; Martin A. Suhm; Susanta K. Nayak; R.Sathishkumar; Rumpa Pal; Tayur N. Guru Row","Conformation-Changing Aggregation in Hydroxyacetone: A Combined Low-Temperature FTIR, Jet, and Crystallographic Study","Journal of the American Chemical Society","2011","133","","20194","20207","10.1021/ja2030646","","","0.71073","MoKα","","0.0446","0.0381","","","0.0903","0.093","","","","","","1.097","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107212","10.587","0.01","12.183","0.01","12.52","0.01","86.77","0.05","70.73","0.05","64.83","0.05","1373","2","10","","10","","","","","","","","see text","6","P -1","-P 1","2","","","","- C31 H26 B D3 F10 N -","- C31 H26 B D3 F10 N -","- C62 H52 B2 D6 F20 N2 -","2","1","","Felix Schulz; Victor Sumerin; Sami Heikkinen; Björn Pedersen; Cong Wang; Michiko Atsumi; Markku Leskelä; Timo Repo; Pekka Pyykkö; Winfried Petry; Bernhard Rieger","Molecular Hydrogen Tweezers: Structure and Mechanisms by Neutron Diffraction, NMR, and Deuterium Labeling Studies in Solid and Solution","Journal of the American Chemical Society","2011","133","","20245","20257","10.1021/ja206394w","","neutron","1.03","","","0.1315","0.0659","","","0.0645","0.0714","","","","","","1.42","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107213","18.8682","0.0006","7.0236","0.0002","9.8589","0.0003","90","","90.884","0.003","90","","1306.37","0.07","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Copper benzenediphosphonateester","Copper benzene-1,4-diphosphonatodimethylester","","- C8 H10 Cu O8 P2 -","- C8 H10 Cu O8 P2 -","- C32 H40 Cu4 O32 P8 -","4","0.5","","Simon S. Iremonger; Junmei Liang; Ramanathan Vaidhyanathan; Isaac Martens; George K. H. Shimizu; Thomas D. Daff; Mohammad Zein Aghaji; Saeid Yeganegi; Tom K. Woo","Phosphonate Monoesters as Carboxylate-like Linkers for Metal Organic Frameworks","Journal of the American Chemical Society","2011","133","","20048","20051","10.1021/ja207606u","","","1.54178","CuKα","","0.0631","0.0623","","","0.1633","0.1637","","","","","","1.178","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107214","18.566","0.002","7.7903","0.0006","9.7596","0.0012","90","","90.748","0.004","90","","1411.5","0.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Copper benzenediphosphonateester","Copper benzene-1,4-diphosphonatodiethylester","","- C10 H14 Cu O6 P2 -","- C10 H14 Cu O6 P2 -","- C40 H56 Cu4 O24 P8 -","4","0.5","","Simon S. Iremonger; Junmei Liang; Ramanathan Vaidhyanathan; Isaac Martens; George K. H. Shimizu; Thomas D. Daff; Mohammad Zein Aghaji; Saeid Yeganegi; Tom K. Woo","Phosphonate Monoesters as Carboxylate-like Linkers for Metal Organic Frameworks","Journal of the American Chemical Society","2011","133","","20048","20051","10.1021/ja207606u","","","0.71073","MoKα","","0.0793","0.073","","","0.1952","0.2034","","","","","","1.104","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107215","10.3435","0.0009","12.4348","0.0011","13.7303","0.0012","76.7247","0.0013","81.6108","0.0013","78.5633","0.0013","1675.3","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 B3 F20 N2 -","- C30 H23 B3 F20 N2 -","- C60 H46 B6 F40 N4 -","2","1","","Aleksandrs Prokofjevs; Edwin Vedejs","N-Directed Aliphatic C-H Borylation Using Borenium Cation Equivalents","Journal of the American Chemical Society","2011","133","","20056","20059","10.1021/ja208093c","","","0.71073","MoKα","","0.0451","0.0371","","","0.0968","0.1025","","","","","","1.033","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107216","24.348","0.014","7.37","0.004","20.786","0.011","90","","103.239","0.006","90","","3631","3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Fe4 N16 O8 -","- C28 H20 Fe4 N16 O8 -","- C112 H80 Fe16 N64 O32 -","4","0.5","","Jennifer L. Hess; Chung-Hung Hsieh; Scott M. Brothers; Michael B. Hall; Marcetta Y. Darensbourg","Self-Assembly of Dinitrosyl Iron Units into Imidazolate-Edge-Bridged Molecular Squares: Characterization Including Mössbauer Spectroscopy","Journal of the American Chemical Society","2011","133","","20426","20434","10.1021/ja208384d","","","0.71073","MoKα","","0.1","0.054","","","0.1256","0.156","","","","","","1.009","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107217","11.833","0.002","57.141","0.011","19.069","0.004","90","","92.2","0.03","90","","12884","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Disilanol FPOSS","octakis(heptadecafluorodecyl)polyhedral oligomeric silsesquioxane diol","","- C80 H34 F136 O13 Si8 -","- C80 H34 F136 O13 Si8 -","- C320 H136 F544 O52 Si32 -","4","1","","Sean M. Ramirez; Yvonne J. Diaz; Raymond Campos; Rebecca L. Stone; Timothy S. Haddad; Joseph M. Mabry","Incompletely Condensed Fluoroalkyl Silsesquioxanes and Derivatives: Precursors for Low Surface Energy Materials","Journal of the American Chemical Society","2011","133","","20084","20087","10.1021/ja208506v","","x-ray","1.54178","CuKα","","0.0915","0.0857","","","0.1893","0.1918","","","","","","1.23","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107218","9.4018","0.0002","13.757","0.0003","15.2303","0.0003","75.605","0.001","78.476","0.001","70.614","0.001","1784.99","0.07","170","2","170","2","","","","","","","","7","P -1","-P 1","2","manganese(II) BnTPEN triflate monomethanol","","","- C30 H29 F6 Mn N5 O7 S2 -","- C30 H29 F6 Mn N5 O7 S2 -","- C60 H58 F12 Mn2 N10 O14 S4 -","2","1","","Xiujuan Wu; Mi Sook Seo; Katherine M. Davis; Yong-Min Lee; Junying Chen; Kyung-Bin Cho; Yulia N. Pushkar; Wonwoo Nam","A Highly Reactive Mononuclear Non-Heme Manganese(IV)-Oxo Complex That Can Activate the Strong C-H Bonds of Alkanes","Journal of the American Chemical Society","2011","133","","20088","20091","10.1021/ja208523u","","","0.71073","MoKα","","0.0486","0.041","","","0.1209","0.1305","","","","","","0.802","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107219","8.2308","0.0017","13.698","0.003","8.5629","0.0018","90","","92.556","0.004","90","","964.5","0.4","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 F3 O3 -","- C20 H25 F3 O3 -","- C40 H50 F6 O6 -","2","1","","Kohsuke Aikawa; Yūta Hioki; Natsumi Shimizu; Koichi Mikami","Catalytic Asymmetric Synthesis of Stable Oxetenes via Lewis Acid-Promoted [2 + 2] Cycloaddition","Journal of the American Chemical Society","2011","133","","20092","20095","10.1021/ja2085299","","","0.71073","MoKα","","0.0475","0.0401","","","0.0955","0.101","","","","","","1.03","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107220","5.8129","0.0006","21.954","0.002","40.108","0.004","90","","90","","90","","5118.4","0.9","93","0.1","93","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 Cl F3 O7 -","- C25 H28 Cl F3 O7 -","- C200 H224 Cl8 F24 O56 -","8","2","","Kohsuke Aikawa; Yūta Hioki; Natsumi Shimizu; Koichi Mikami","Catalytic Asymmetric Synthesis of Stable Oxetenes via Lewis Acid-Promoted [2 + 2] Cycloaddition","Journal of the American Chemical Society","2011","133","","20092","20095","10.1021/ja2085299","","","0.71073","","","0.077","0.0491","","","0.0908","0.1009","","","","","","0.995","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107221","23.4418","0.0019","12.9048","0.001","26.735","0.002","90","","90.821","0.002","90","","8086.8","1.1","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H57 Cl4 Cu2 N21 O16 -","- C78.008 H48 Cl4 Cu2 N21.004 O16 -","- C312.032 H192 Cl16 Cu8 N84.016 O64 -","4","0.5","","Nabanita Kundu; Manoranjan Maity; Pabitra Baran Chatterjee; Simon J. Teat; Akira Endo; Muktimoy Chaudhury","Reporting a Unique Example of Electronic Bistability Observed in the Form of Valence Tautomerism with a Copper(II) Helicate of a Redox-Active Nitrogenous Heterocyclic Ligand","Journal of the American Chemical Society","2011","133","","20104","20107","10.1021/ja2088986","","","0.7749","synchrotron","","0.0613","0.0558","","","0.1681","0.1742","","","","","","1.029","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107222","5.999","0.0005","11.8071","0.0009","19.7318","0.0015","90","","92.184","0.004","90","","1396.6","0.19","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cr O3 -","- C16 H16 Cr O3 -","- C64 H64 Cr4 O12 -","4","1","","Jiadi Zhang; Corneliu Stanciu; Beibei Wang; Mahmud M. Hussain; Chao-Shan Da; Patrick J. Carroll; Spencer D. Dreher; Patrick J. Walsh","Palladium-Catalyzed Allylic Substitution with (η6-Arene-CH2Z)Cr(CO)3-Based Nucleophiles","Journal of the American Chemical Society","2011","133","","20552","20560","10.1021/ja208935u","","","0.71073","MoKα","","0.0462","0.0434","","","0.1014","0.1034","","","","","","1.062","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107223","8.5","0.0008","10.8183","0.0011","11.1606","0.0011","90","","106.575","0.002","90","","983.63","0.17","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","07054","","","- C25 H23 N O2 -","- C25 H23 N O2 -","- C50 H46 N2 O4 -","2","1","","Barry M. Trost; Jia Xie; Joshua D. Sieber","The Palladium Catalyzed Asymmetric Addition of Oxindoles and Allenes: An Atom-Economical Versatile Method for the Construction of Chiral Indole Alkaloids","Journal of the American Chemical Society","2011","133","","20611","20622","10.1021/ja209244m","","","0.71073","MoKα","","0.0329","0.0304","","","0.0782","0.0809","","","","","","1.013","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107224","9.6172","0.0009","17.9956","0.0016","14.548","0.0013","90","","102.988","0.002","90","","2453.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","07090","","","- C29 H29 N O4 -","- C29 H29 N O4 -","- C116 H116 N4 O16 -","4","1","","Barry M. Trost; Jia Xie; Joshua D. Sieber","The Palladium Catalyzed Asymmetric Addition of Oxindoles and Allenes: An Atom-Economical Versatile Method for the Construction of Chiral Indole Alkaloids","Journal of the American Chemical Society","2011","133","","20611","20622","10.1021/ja209244m","","","0.71073","MoKα","","0.0565","0.0401","","","0.1047","0.1198","","","","","","1.022","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107225","7.9043","0.0001","8.2106","0.0001","17.9939","0.0001","90","","90","","90","","1167.79","0.02","105","2","105","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","YbCp3","","- C15 H15 Yb -","- C15 H15 Yb -","- C60 H60 Yb4 -","4","1","","Robert G. Denning; Jeffrey Harmer; Jennifer C. Green; Mark Irwin","Covalency in the 4f Shell oftris-Cyclopentadienyl Ytterbium (YbCp3)-A Spectroscopic Evaluation","Journal of the American Chemical Society","2011","133","","20644","20660","10.1021/ja209311g","","","0.71073","MoKα","","0.02","0.0194","","","0.0444","0.0447","","","","","","1.204","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107226","13.7007","0.0016","17.152","0.002","21.461","0.003","90","","90.003","0.003","90","","5043.2","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 N4 O14 Zn2 -","- C50 H64 N4 O14 Zn2 -","- C200 H256 N16 O56 Zn8 -","4","1","","Natalia B. Shustova; Brian D. McCarthy; Mircea Dincă","Turn-On Fluorescence in Tetraphenylethylene-Based Metal-Organic Frameworks: An Alternative to Aggregation-Induced Emission","Journal of the American Chemical Society","2011","133","","20126","20129","10.1021/ja209327q","","","0.71073","MoKα","","0.0668","0.0428","","","0.1047","0.1154","","","","","","1.04","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107227","11.4137","0.0016","16.592","0.002","26.041","0.003","90","","95.29","0.003","90","","4910.5","1.1","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 Cd2 N2 O12 -","- C44.004 H32 Cd2 N2 O12 -","- C176.016 H128 Cd8 N8 O48 -","4","1","","Natalia B. Shustova; Brian D. McCarthy; Mircea Dincă","Turn-On Fluorescence in Tetraphenylethylene-Based Metal-Organic Frameworks: An Alternative to Aggregation-Induced Emission","Journal of the American Chemical Society","2011","133","","20126","20129","10.1021/ja209327q","","","0.71073","MoKα","","0.077","0.0581","","","0.1615","0.1796","","","","","","1.068","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107228","11.4917","0.0018","18.524","0.003","25.727","0.004","90","","96.28","0.003","90","","5443.7","1.5","100","2","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H55.2 Cd2 N2.8 O13 -","- C46 H27 Cd2 N2.8 O13 -","- C184 H108 Cd8 N11.2 O52 -","4","1","","Natalia B. Shustova; Brian D. McCarthy; Mircea Dincă","Turn-On Fluorescence in Tetraphenylethylene-Based Metal-Organic Frameworks: An Alternative to Aggregation-Induced Emission","Journal of the American Chemical Society","2011","133","","20126","20129","10.1021/ja209327q","","","0.71073","MoKα","","0.0492","0.0429","","","0.1336","0.1404","","","","","","1.128","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107229","17.065","0.005","9.155","0.003","26.964","0.008","90","","90.212","0.006","90","","4213","2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H52 O12 -","- C46 H52 O12 -","- C184 H208 O48 -","4","1","","Natalia B. Shustova; Brian D. McCarthy; Mircea Dincă","Turn-On Fluorescence in Tetraphenylethylene-Based Metal-Organic Frameworks: An Alternative to Aggregation-Induced Emission","Journal of the American Chemical Society","2011","133","","20126","20129","10.1021/ja209327q","","","0.71073","MoKα","","0.1238","0.0952","","","0.2726","0.302","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107230","12.819","0.003","22.511","0.006","25.188","0.006","100.326","0.004","97.652","0.004","92.667","0.004","7069","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 K15 Na O156.5 P4 Re2 W35 -","- C6 K15 Na O156.5 P4 Re2 W35 -","- C12 K30 Na2 O313 P8 Re4 W70 -","2","1","","Chongchao Zhao; Zhuangqun Huang; William Rodríguez-Córdoba; Choon Sung Kambara; Kevin P. O'Halloran; Ken I. Hardcastle; Djamaladdin G. Musaev; Tianquan Lian; Craig L. Hill","Synthesis and Characterization of a Metal-to-Polyoxometalate Charge Transfer Molecular Chromophore","Journal of the American Chemical Society","2011","133","","20134","20137","10.1021/ja209360x","","","0.71073","MoKα","","0.175","0.0729","","","0.1355","0.1721","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107231","13.58","0.003","6.7581","0.0014","14.637","0.003","90","","111.968","0.003","90","","1245.8","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 B N2 -","- C11 H21 B N2 -","- C44 H84 B4 N8 -","4","1","","Senmiao Xu; Lev N. Zakharov; Shih-Yuan Liu","A 1,3-Dihydro-1,3-azaborine Debuts","Journal of the American Chemical Society","2011","133","","20152","20155","10.1021/ja2097089","","","0.71073","MoKα","","0.0684","0.0472","","","0.1196","0.1346","","","","","","1.033","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107232","10.051","0.0007","13.3654","0.0009","24.4607","0.0017","90","","90","","90","","3285.9","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H21 B Cr N2 O3 -","- C14 H21 B Cr N2 O3 -","- C112 H168 B8 Cr8 N16 O24 -","8","1","","Senmiao Xu; Lev N. Zakharov; Shih-Yuan Liu","A 1,3-Dihydro-1,3-azaborine Debuts","Journal of the American Chemical Society","2011","133","","20152","20155","10.1021/ja2097089","","","0.71073","MoKα","","0.0561","0.0485","","","0.1254","0.1323","","","","","","1.078","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107233","12.8296","0.0003","14.3749","0.0004","15.8508","0.0004","90","","90","","90","","2923.27","0.13","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C21 H37 Cl F3 Fe O3 P4 S -","- C21 H37 Cl F3 Fe O3 P4 S -","- C84 H148 Cl4 F12 Fe4 O12 P16 S4 -","4","1","","Wesley A. Hoffert; Anthony K. Rappé; Matthew P. Shores","Topological and Electronic Influences on Magnetic Exchange Coupling in Fe(III) Ethynylbenzene Dendritic Building Blocks","Journal of the American Chemical Society","2011","133","","20823","20836","10.1021/ja206735y","","","0.71073","MoKα","","0.0281","0.024","","","0.054","0.0554","","","","","","1.008","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107234","13.4127","0.0007","14.1127","0.0007","17.5241","0.001","66.813","0.001","67.956","0.001","81.356","0.002","2826.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H92 B2 Cl2 F48 Fe2 P8 -","- C98 H92 B2 Cl2 F48 Fe2 P8 -","- C98 H92 B2 Cl2 F48 Fe2 P8 -","1","0.5","","Wesley A. Hoffert; Anthony K. Rappé; Matthew P. Shores","Topological and Electronic Influences on Magnetic Exchange Coupling in Fe(III) Ethynylbenzene Dendritic Building Blocks","Journal of the American Chemical Society","2011","133","","20823","20836","10.1021/ja206735y","","","0.71073","MoKα","","0.0571","0.0408","","","0.1045","0.1219","","","","","","1.049","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107235","15.5873","0.0006","28.0448","0.0012","21.4267","0.001","90","","90","","90","","9366.5","0.7","120","2","120","2","","","","","","","","8","P b c m","-P 2c 2b","57","4","compound 4 in the manuscript","","- C50 H99 Cl3 F6 Fe3 O6 P12 S2 -","- C50 H99 Cl3 F6 Fe3 O6 P12 S2 -","- C200 H396 Cl12 F24 Fe12 O24 P48 S8 -","4","0.5","","Wesley A. Hoffert; Anthony K. Rappé; Matthew P. Shores","Topological and Electronic Influences on Magnetic Exchange Coupling in Fe(III) Ethynylbenzene Dendritic Building Blocks","Journal of the American Chemical Society","2011","133","","20823","20836","10.1021/ja206735y","","","0.71073","MoKα","","0.0749","0.0543","","","0.1783","0.195","","","","","","1.054","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107236","10.1264","0.0016","6.333","0.001","25.079","0.004","90","","96.011","0.007","90","","1599.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H25 Cu K N O3 -","- C11 H25 Cu K N O3 -","- C44 H100 Cu4 K4 N4 O12 -","4","1","","Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin","Direct Cupration of Fluoroform","Journal of the American Chemical Society","2011","133","","20901","20913","10.1021/ja2081026","","","0.71073","MoKα","","0.0545","0.045","","","0.11","0.1148","","","","","","1.125","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107237","6.202","0.002","19.855","0.008","16.646","0.007","90","","95.483","0.014","90","","2040.4","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 Cu N2 Na O4 -","- C14 H32 Cu N2 Na O4 -","- C56 H128 Cu4 N8 Na4 O16 -","4","1","","Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin","Direct Cupration of Fluoroform","Journal of the American Chemical Society","2011","133","","20901","20913","10.1021/ja2081026","","","0.71073","MoKα","","0.0961","0.0456","","","0.0785","0.0923","","","","","","1.007","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107238","17.754","0.002","17.754","0.002","62.184","0.007","90","","90","","120","","16975","3","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C72 H164 Cu6 I2 K8 N8 O20 -","- C71.94 H163.86 Cu6 I1.99 K8 N7.98 O19.98 -","- C431.64 H983.16 Cu36 I11.94 K48 N47.88 O119.88 -","6","0.166667","","Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin","Direct Cupration of Fluoroform","Journal of the American Chemical Society","2011","133","","20901","20913","10.1021/ja2081026","","","0.71073","MoKα","","0.0872","0.0576","","","0.1536","0.1722","","","","","","1.016","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107239","11.4005","0.0009","21.0308","0.0017","11.189","0.0009","90","","115.13","0.002","90","","2428.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Cl2 Cu2 O4 -","- C18 H36 Cl2 Cu2 O4 -","- C72 H144 Cl8 Cu8 O16 -","4","1","","Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin","Direct Cupration of Fluoroform","Journal of the American Chemical Society","2011","133","","20901","20913","10.1021/ja2081026","","","0.71073","MoKα","","0.0326","0.0266","","","0.0665","0.07","","","","","","1.044","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107240","11.3451","0.001","21.5829","0.0019","11.1733","0.001","90","","114.292","0.004","90","","2493.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Br2 Cu2 O4 -","- C18 H36 Br2 Cu2 O4 -","- C72 H144 Br8 Cu8 O16 -","4","1","","Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin","Direct Cupration of Fluoroform","Journal of the American Chemical Society","2011","133","","20901","20913","10.1021/ja2081026","","","0.71073","MoKα","","0.0686","0.0437","","","0.1005","0.1104","","","","","","1.04","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107241","11.848","0.001","8.5446","0.0007","16.2194","0.0014","90","","109.051","0.004","90","","1552.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H54 Cu2 O6 -","- C26 H54 Cu2 O6 -","- C52 H108 Cu4 O12 -","2","0.5","","Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin","Direct Cupration of Fluoroform","Journal of the American Chemical Society","2011","133","","20901","20913","10.1021/ja2081026","","","0.71073","MoKα","","0.0945","0.0868","","","0.2317","0.2367","","","","","","1.225","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107242","11.8758","0.0003","10.8214","0.0003","14.3329","0.0003","90","","96.883","0.001","90","","1828.69","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H54 Cu4 F6 O6 -","- C28 H54 Cu4 F6 O6 -","- C56 H108 Cu8 F12 O12 -","2","0.5","","Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin","Direct Cupration of Fluoroform","Journal of the American Chemical Society","2011","133","","20901","20913","10.1021/ja2081026","","","0.71073","MoKα","","0.0513","0.0362","","","0.0981","0.1078","","","","","","0.999","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107243","34.19","0.004","32.89","0.004","44.013","0.005","90","","110.32","0.003","90","","46413","9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C150.25 H144 Cl4.5 Mn12 N24 O56 -","- C150.25 H144 Cl4.5 Mn12 N24 O56 -","- C1202 H1152 Cl36 Mn96 N192 O448 -","8","2","","Tu N. Nguyen; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","A Supramolecular Aggregate of Four Exchange-Biased Single-Molecule Magnets","Journal of the American Chemical Society","2011","133","","20688","20691","10.1021/ja2087344","","","0.71073","MoKα","","0.2135","0.074","","","0.1617","0.1886","","","","","","0.624","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107244","6.0794","0.0006","9.541","0.001","13.1014","0.0013","90","","102.299","0.002","90","","742.49","0.13","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 Br O3 -","- C15 H17 Br O3 -","- C30 H34 Br2 O6 -","2","1","","Lizhu Gao; Geum-Sook Hwang; Do Hyun Ryu","Oxazaborolidinium Ion-Catalyzed Cyclopropanation of α-Substituted Acroleins: Enantioselective Synthesis of Cyclopropanes Bearing Two Chiral Quaternary Centers","Journal of the American Chemical Society","2011","133","","20708","20711","10.1021/ja209270e","","","0.71073","MoKα","","0.115","0.0588","","","0.1167","0.1984","","","","","","1.16","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107245","6.1744","0.0006","14.0656","0.0013","13.3422","0.0013","90","","96.472","0.002","90","","1151.34","0.19","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 Br O4 -","- C24 H27 Br O4 -","- C48 H54 Br2 O8 -","2","1","","Lizhu Gao; Geum-Sook Hwang; Do Hyun Ryu","Oxazaborolidinium Ion-Catalyzed Cyclopropanation of α-Substituted Acroleins: Enantioselective Synthesis of Cyclopropanes Bearing Two Chiral Quaternary Centers","Journal of the American Chemical Society","2011","133","","20708","20711","10.1021/ja209270e","","","0.71073","MoKα","","0.1934","0.0556","","","0.1059","0.1862","","","","","","0.763","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107246","15.8891","0.0005","17.7816","0.0006","18.1462","0.0005","90","","103.302","0.001","90","","4989.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 B F19 S2 -","- C25 B F19 S2 -","- C200 B8 F152 S16 -","8","2","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0763","0.039","","","0.0888","0.0985","","","","","","1.036","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107247","19.7871","0.0005","8.1334","0.0002","20.1056","0.0005","90","","95.943","0.001","90","","3218.33","0.14","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C33 H15 B F20 Si -","- C33 H15 B F20 Si -","- C132 H60 B4 F80 Si4 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0879","0.0429","","","0.0959","0.1074","","","","","","1.024","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107248","19.7831","0.0008","8.1266","0.0003","20.0827","0.0009","90","","95.903","0.002","90","","3211.6","0.2","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C33 H15 B F20 Si -","- C33 H15 B F20 Si -","- C132 H60 B4 F80 Si4 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.1023","0.0456","","","0.1021","0.1167","","","","","","0.949","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107249","9.2012","0.0002","44.1297","0.001","16.8661","0.0004","90","","97.472","0.001","90","","6790.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.79 H17.21 B F20.24 Si1.24 -","- C33.7875 H17.2125 B F20.2375 Si1.2375 -","- C270.3 H137.7 B8 F161.9 Si9.9 -","8","2","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.1323","0.0613","","","0.1255","0.1408","","","","","","1.047","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107250","17.0809","0.0011","18.9831","0.0012","20.863","0.0014","90","","90","","90","","6764.8","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Trimethylsilicenium Tetrakis(pentafluorophenyl)borate toluene solvate","","- C34 H17 B F20 Si -","- C34 H17 B F20 Si -","- C272 H136 B8 F160 Si8 -","8","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0932","0.0398","","","0.0778","0.0895","","","","","","0.964","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107251","17.0523","0.0004","18.985","0.0005","20.8924","0.0005","90","","90","","90","","6763.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33.69 H17.08 B F20.08 Si1.08 -","- C33.6912 H17.0772 B F20.0772 Si1.0772 -","- C269.53 H136.618 B8 F160.618 Si8.6176 -","8","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0712","0.0385","","","0.0866","0.096","","","","","","1.035","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107252","14.9264","0.0005","17.9423","0.0007","16.8793","0.0006","90","","114.239","0.002","90","","4122","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H29 B F20 Si -","- C43 H29 B F20 Si -","- C172 H116 B4 F80 Si4 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.1089","0.0473","","","0.1101","0.1245","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107253","22.1413","0.0007","16.9067","0.0005","18.9409","0.0006","90","","92.176","0.001","90","","7085.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H21 B F20 Si -","- C36 H21 B F20 Si -","- C288 H168 B8 F160 Si8 -","8","2","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0718","0.0408","","","0.1009","0.1102","","","","","","1.051","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107254","10.4308","0.0003","21.5092","0.0007","16.7513","0.0005","90","","106.562","0.002","90","","3602.37","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H21 B F20 Si -","- C36 H21 B F20 Si -","- C144 H84 B4 F80 Si4 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0683","0.0457","","","0.1264","0.1364","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107255","17.2347","0.0006","12.7041","0.0004","31.2332","0.001","90","","94.011","0.001","90","","6821.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H19 B F20 Si -","- C35 H19 B F20 Si -","- C280 H152 B8 F160 Si8 -","8","2","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0859","0.0399","","","0.0897","0.0999","","","","","","1.034","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107256","14.4403","0.0007","18.165","0.0009","17.1757","0.0008","90","","114.682","0.001","90","","4093.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 B F20 Si -","- C43 H29 B F20 Si -","- C172 H116 B4 F80 Si4 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0879","0.0456","","","0.1078","0.1183","","","","","","1.064","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107257","16.6384","0.0011","20.3523","0.0011","24.3708","0.0015","90","","90","","90","","8252.7","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H29 B F20 Si -","- C43 H29 B F20 Si -","- C344 H232 B8 F160 Si8 -","8","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.1089","0.051","","","0.1214","0.1378","","","","","","1.023","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107258","14.3401","0.0007","19.2559","0.001","16.861","0.0008","90","","113.164","0.002","90","","4280.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 B F20 Si -","- C45 H33 B F20 Si -","- C180 H132 B4 F80 Si4 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.1057","0.0423","","","0.0887","0.1029","","","","","","0.947","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107259","14.8417","0.0011","18.3481","0.0013","17.1252","0.0011","90","","113.424","0.004","90","","4279.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 B F20 Si -","- C45 H33 B F20 Si -","- C180 H132 B4 F80 Si4 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.1249","0.0444","","","0.0914","0.1069","","","","","","0.903","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107260","11.3883","0.0003","16.906","0.0005","22.5187","0.0006","85.883","0.001","84.99","0.001","72.901","0.001","4123.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42.75 H30 B F20 Si -","- C42.75 H30 B F20 Si -","- C171 H120 B4 F80 Si4 -","4","2","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.083","0.0517","","","0.1347","0.1469","","","","","","1.068","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107261","6.331","0.0004","10.0315","0.0006","9.7425","0.0006","90","","95.923","0.004","90","","615.44","0.07","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","1,4-di-tert.butyl-benzene","","- C14 H22 -","- C14 H22 -","- C28 H44 -","2","0.5","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0746","0.0498","","","0.1343","0.1439","","","","","","1.047","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107262","18.378","0.003","18.378","0.003","27.486","0.008","90","","90","","120","","8040","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","11028","","","- C47 H72 Al N8 P3 -","- C47 H72 Al N8 P3 -","- C282 H432 Al6 N48 P18 -","6","0.333333","","P. Alex Rudd; Shengsi Liu; Laura Gagliardi; Victor G. Young; Connie C. Lu","Metal-Alane Adducts with Zero-Valent Nickel, Cobalt, and Iron","Journal of the American Chemical Society","2011","133","","20724","20727","10.1021/ja2099744","","","0.71073","MoKα","","0.0665","0.0428","","","0.1183","0.1291","","","","","","1.173","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107263","11.228","0.005","14.192","0.007","14.309","0.006","70.763","0.006","80.53","0.006","82.984","0.006","2117.8","1.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","11037","","","- C85 H128 Al2 N8 Ni2 P6 -","- C85 H128 Al2 N8 Ni2 P6 -","- C85 H128 Al2 N8 Ni2 P6 -","1","0.5","","P. Alex Rudd; Shengsi Liu; Laura Gagliardi; Victor G. Young; Connie C. Lu","Metal-Alane Adducts with Zero-Valent Nickel, Cobalt, and Iron","Journal of the American Chemical Society","2011","133","","20724","20727","10.1021/ja2099744","","","0.71073","MoKα","","0.0561","0.0363","","","0.0813","0.0877","","","","","","0.94","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107264","18.866","0.002","20.369","0.002","22.851","0.002","90","","103.512","0.001","90","","8538.2","1.4","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","11173","","","- C82 H130 Al2 Co2 N12 O P6 -","- C82 H130 Al2 Co2 N12 O P6 -","- C328 H520 Al8 Co8 N48 O4 P24 -","4","0.5","","P. Alex Rudd; Shengsi Liu; Laura Gagliardi; Victor G. Young; Connie C. Lu","Metal-Alane Adducts with Zero-Valent Nickel, Cobalt, and Iron","Journal of the American Chemical Society","2011","133","","20724","20727","10.1021/ja2099744","","","0.71073","MoKα","","0.0821","0.0487","","","0.1067","0.1228","","","","","","1.022","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107265","15.5732","0.0019","15.5732","0.0019","25.258","0.003","90","","90","","120","","5305","1.1","123","2","123","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","11201","","","- C78 H120 Al2 Fe2 N10 P6 -","- C78 H120 Al2 Fe2 N10 P6 -","- C156 H240 Al4 Fe4 N20 P12 -","2","0.166667","","P. Alex Rudd; Shengsi Liu; Laura Gagliardi; Victor G. Young; Connie C. Lu","Metal-Alane Adducts with Zero-Valent Nickel, Cobalt, and Iron","Journal of the American Chemical Society","2011","133","","20724","20727","10.1021/ja2099744","","","0.71073","MoKα","","0.062","0.047","","","0.1333","0.142","","","","","","1.043","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107266","16.8651","0.0007","4.0766","0.0002","15.1319","0.0007","90","","91.083","0.003","90","","1040.17","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Vinayak Vishnu Pagar; Appaso Mahadev Jadhav; Rai-Shung Liu","Gold-Catalyzed Formal [3 + 3] and [4 + 2] Cycloaddition Reactions of Nitrosobenzenes with Alkenylgold Carbenoids","Journal of the American Chemical Society","2011","133","","20728","20731","10.1021/ja209980d","","","1.54178","CuKα","","0.0474","0.0418","","","0.1171","0.1238","","","","","","1.06","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107267","18.1039","0.001","10.4762","0.0006","22.3799","0.0012","90","","99.242","0.001","90","","4189.5","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C192 H176 N16 O24 -","8","1","","Vinayak Vishnu Pagar; Appaso Mahadev Jadhav; Rai-Shung Liu","Gold-Catalyzed Formal [3 + 3] and [4 + 2] Cycloaddition Reactions of Nitrosobenzenes with Alkenylgold Carbenoids","Journal of the American Chemical Society","2011","133","","20728","20731","10.1021/ja209980d","","","0.71073","MoKα","","0.0657","0.0467","","","0.1149","0.13","","","","","","1.041","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107268","6.965","0.003","11.584","0.004","26.372","0.01","90","","90","","90","","2127.8","1.4","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O7 -","- C21 H26 N2 O7 -","- C84 H104 N8 O28 -","4","1","","Hun Young Kim; Jian-Yuan Li; Sungkyung Kim; Kyungsoo Oh","Stereodivergency in Catalytic Asymmetric Conjugate Addition Reactions of Glycine (Ket)imines","Journal of the American Chemical Society","2011","133","","20750","20753","10.1021/ja2100356","","","0.71073","MoKα","","0.0448","0.0322","","0.0778","0.0746","0.0778","","","","","","1","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107269","13.241","0.0006","20.3202","0.0009","21.5275","0.001","90","","101.408","0.002","90","","5677.8","0.4","100","","100","","","","","","","","dichloromethane,pentane","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H86 B3 F12 N6 O P -","- C45 H86 B3 F12 N6 O P -","- C180 H344 B12 F48 N24 O4 P4 -","4","1","","Jekaterina Petuškova; Mahendra Patil; Sigrid Holle; Christian W. Lehmann; Walter Thiel; Manuel Alcarazo","Synthesis, Structure, and Reactivity of Carbene-Stabilized Phosphorus(III)-Centered Trications [L3P]3+","Journal of the American Chemical Society","2011","133","","20758","20760","10.1021/ja210223s","","","1.54178","Cu-Kα","","0.0527","0.05","","","0.1255","0.1279","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107270","11.1859","0.0013","12.7423","0.0015","16.686","0.002","80.587","0.002","87.289","0.002","85.177","0.002","2336.6","0.5","200","","200","","","","","","","","dichloromethane,dimethylsulfoxide","7","P -1","-P 1","2","","","","- C25 H44 Cl13 N6 O8 P Pt -","- C25 H44 Cl13 N6 O8 P Pt -","- C50 H88 Cl26 N12 O16 P2 Pt2 -","2","1","","Jekaterina Petuškova; Mahendra Patil; Sigrid Holle; Christian W. Lehmann; Walter Thiel; Manuel Alcarazo","Synthesis, Structure, and Reactivity of Carbene-Stabilized Phosphorus(III)-Centered Trications [L3P]3+","Journal of the American Chemical Society","2011","133","","20758","20760","10.1021/ja210223s","","","0.71073","Mo-Kα","","0.0426","0.0337","","","0.0908","0.0963","","","","","","1.046","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107271","22.6931","0.0016","8.9674","0.0006","23.7379","0.0017","90","","104.285","0.001","90","","4681.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H70 Cl O2 P W -","- C49 H70 Cl O2 P W -","- C196 H280 Cl4 O8 P4 W4 -","4","1","","Dmitry V. Peryshkov; Richard R. Schrock; Michael K. Takase; Peter Müller; Amir H. Hoveyda","Z-Selective Olefin Metathesis Reactions Promoted by Tungsten Oxo Alkylidene Complexes","Journal of the American Chemical Society","2011","133","","20754","20757","10.1021/ja210349m","","","0.71073","MoKα","","0.0264","0.0197","","","0.0403","0.0422","","","","","","1.022","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107272","14.7275","0.0018","15.986","0.002","19.325","0.002","90","","110.046","0.002","90","","4274.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H67 N O2 W -","- C47 H67 N O2 W -","- C188 H268 N4 O8 W4 -","4","1","","Dmitry V. Peryshkov; Richard R. Schrock; Michael K. Takase; Peter Müller; Amir H. Hoveyda","Z-Selective Olefin Metathesis Reactions Promoted by Tungsten Oxo Alkylidene Complexes","Journal of the American Chemical Society","2011","133","","20754","20757","10.1021/ja210349m","","","0.71073","MoKα","","0.0413","0.0333","","","0.0754","0.0775","","","","","","1.076","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107273","13.4162","0.0007","13.5775","0.0007","14.7782","0.0008","71.833","0.001","65.515","0.001","83.655","0.001","2327.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50.5 H72 N O2 P W -","- C50.5 H72 N O2 P W -","- C101 H144 N2 O4 P2 W2 -","2","1","","Dmitry V. Peryshkov; Richard R. Schrock; Michael K. Takase; Peter Müller; Amir H. Hoveyda","Z-Selective Olefin Metathesis Reactions Promoted by Tungsten Oxo Alkylidene Complexes","Journal of the American Chemical Society","2011","133","","20754","20757","10.1021/ja210349m","","","0.71073","MoKα","","0.038","0.0287","","","0.0576","0.0609","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107274","13.2954","0.0011","21.6218","0.0018","16.9582","0.0015","90","","93.976","0.002","90","","4863.2","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H43 B F15 N O2 W -","- C53 H43 B F15 N O2 W -","- C212 H172 B4 F60 N4 O8 W4 -","4","1","","Dmitry V. Peryshkov; Richard R. Schrock; Michael K. Takase; Peter Müller; Amir H. Hoveyda","Z-Selective Olefin Metathesis Reactions Promoted by Tungsten Oxo Alkylidene Complexes","Journal of the American Chemical Society","2011","133","","20754","20757","10.1021/ja210349m","","","0.71073","MoKα","","0.0391","0.0262","","","0.0529","0.0574","","","","","","1.027","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107275","12.7029","0.001","24.0572","0.0015","14.2748","0.0013","90","","107.168","0.01","90","","4168","0.6","123","","123","1","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H49 Cl O P2 Ru -","- C49 H49 Cl O P2 Ru -","- C196 H196 Cl4 O4 P8 Ru4 -","4","1","","Jörg Maurer; Michael Linseis; Biprajit Sarkar; Brigitte Schwederski; Mark Niemeyer; Wolfgang Kaim; Stanislav Záliš; Chris Anson; Manfred Zabel; Rainer F. Winter","Ruthenium Complexes with Vinyl, Styryl, and Vinylpyrenyl Ligands: A Case of Non-innocence in Organometallic Chemistry","Journal of the American Chemical Society","2008","130","","259","268","10.1021/ja075547t","","","0.71073","MoKα","","0.0537","0.0385","","","0.0935","0.0987","","","","","","1.016","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107276","12.8317","0.0009","11.5248","0.0008","21.1954","0.0016","90","","103.428","0.006","90","","3048.7","0.4","150","","150","1","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H53 Cl O P2 Ru -","- C25 H53 Cl O P2 Ru -","- C100 H212 Cl4 O4 P8 Ru4 -","4","1","","Jörg Maurer; Michael Linseis; Biprajit Sarkar; Brigitte Schwederski; Mark Niemeyer; Wolfgang Kaim; Stanislav Záliš; Chris Anson; Manfred Zabel; Rainer F. Winter","Ruthenium Complexes with Vinyl, Styryl, and Vinylpyrenyl Ligands: A Case of Non-innocence in Organometallic Chemistry","Journal of the American Chemical Society","2008","130","","259","268","10.1021/ja075547t","","x-ray","0.71073","MoKα","","0.0517","0.0363","","","0.0936","0.1005","","","","","","1.031","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107277","13.2318","0.00008","26.71192","0.0001","13.38617","0.0001","90","","111.927","0.0008","90","","4389.03","0.05","123","","123","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H50 Cl N O3 P2 Ru -","- C51 H50 Cl N O3 P2 Ru -","- C204 H200 Cl4 N4 O12 P8 Ru4 -","4","1","","Jörg Maurer; Michael Linseis; Biprajit Sarkar; Brigitte Schwederski; Mark Niemeyer; Wolfgang Kaim; Stanislav Záliš; Chris Anson; Manfred Zabel; Rainer F. Winter","Ruthenium Complexes with Vinyl, Styryl, and Vinylpyrenyl Ligands: A Case of Non-innocence in Organometallic Chemistry","Journal of the American Chemical Society","2008","130","","259","268","10.1021/ja075547t","","x-ray","1.54184","CuKα","","0.0388","0.0336","","","0.0932","0.0966","","","","","","1.078","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107278","8.964447","","8.964447","","3.957573","","90","","90","","120","","275.427","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- C6 Pb3 S6 -","- C6 Pb3 S6 -","- C6 Pb3 S6 -","1","0.0416667","","Dayna L. Turner; Thomas P. Vaid; Peter W. Stephens; Kevin H. Stone; Antonio G. DiPasquale; Arnold L. Rheingold","Semiconducting Lead-Sulfur-Organic Network Solids","Journal of the American Chemical Society","2008","130","","14","15","10.1021/ja0770983","powder diffraction","","0.6983","","","","","","","","","","","1.523","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4107279","6.938088","","7.145047","","7.891146","","85.8921","","66.5585","","67.5922","","330.323","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H5 N Pb S2 -","- C4 H5 N Pb S2 -","- C8 H10 N2 Pb2 S4 -","2","1","","Dayna L. Turner; Thomas P. Vaid; Peter W. Stephens; Kevin H. Stone; Antonio G. DiPasquale; Arnold L. Rheingold","Semiconducting Lead-Sulfur-Organic Network Solids","Journal of the American Chemical Society","2008","130","","14","15","10.1021/ja0770983","powder diffraction","","0.6967","","","","","","","","","","","1.347","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4107280","30.9179","0.001","30.9179","0.001","35.2839","0.0015","90","","90","","120","","29209.7","1.8","123","2","123","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C41 H74 F3 N9 O14 -","- C27 H44 N9 O9 -","- C486 H792 N162 O162 -","18","1","","Petra Rzepecki; Katrin Hochdörffer; Torsten Schaller; Jan Zienau; Klaus Harms; Christian Ochsenfeld; Xiulan Xie; Thomas Schrader","Hierarchical Self-Assembly of Aminopyrazole Peptides into Nanorosettes in Water","Journal of the American Chemical Society","2008","130","","586","591","10.1021/ja0744807","","","0.71073","MoKα","","0.0791","0.0434","","","0.0922","0.1001","","","","","","0.752","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107281","16.024","0.005","24.939","0.003","16.859","0.003","90","","113.376","0.019","90","","6184","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C124 H108 Cu2 N4 O20 P4 -","- C124 H92 Cu2 N4 O20 P4 -","- C248 H184 Cu4 N8 O40 P8 -","2","0.5","","Emilio Pardo; Rosa Carrasco; Rafael Ruiz-García; Miguel Julve; Francesc Lloret; M. Carmen Muñoz; Yves Journaux; Eliseo Ruiz; Joan Cano","Structure and Magnetism of Dinuclear Copper(II) Metallacyclophanes with Oligoacenebis(oxamate) Bridging Ligands: Theoretical Predictions on Wirelike Magnetic Coupling","Journal of the American Chemical Society","2008","130","","576","585","10.1021/ja0747066","","","0.71073","MoKα","","0.1857","0.0865","","","0.217","0.2693","","","","","","1.111","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107282","10.7092","0.0009","11.3859","0.0009","18.7092","0.0015","95.66","0.004","103.796","0.004","106.241","0.004","2093.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H50 B F4 O P3 Pt -","- C40 H50 B F4 O P3 Pt -","- C80 H100 B2 F8 O2 P6 Pt2 -","2","1","","Jeremiah A. Feducia; Michel R. Gagné","Reversibility Effects on the Stereoselectivity of Pt(II)-Mediated Cascade Poly-ene Cyclizations","Journal of the American Chemical Society","2008","130","","592","599","10.1021/ja075518i","","","0.71073","MoKα","","0.0345","0.0328","","","0.0836","0.0844","","","","","","1.086","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107283","18.7099","0.0012","25.8448","0.0013","10.7596","0.0004","90","","90","","90","","5202.8","0.5","173","2","173","2","","","","","","","","10","P 21 21 2","P 2 2ab","18","","","","- C50.5 H55 B Cl F4 N O2 P3 Pt S -","- C50.5 H55 B Cl F4 N O2 P3 Pt S -","- C202 H220 B4 Cl4 F16 N4 O8 P12 Pt4 S4 -","4","1","","Jeremiah A. Feducia; Michel R. Gagné","Reversibility Effects on the Stereoselectivity of Pt(II)-Mediated Cascade Poly-ene Cyclizations","Journal of the American Chemical Society","2008","130","","592","599","10.1021/ja075518i","","","0.71073","MoKα","","0.0979","0.0706","","","0.1536","0.1683","","","","","","1.093","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107284","10.5334","0.0014","44.022","0.006","19.544","0.003","90","","101.358","0.006","90","","8885","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 B F4 O P3 Pt -","- C44 H50 B F4 O P3 Pt -","- C352 H400 B8 F32 O8 P24 Pt8 -","8","2","","Jeremiah A. Feducia; Michel R. Gagné","Reversibility Effects on the Stereoselectivity of Pt(II)-Mediated Cascade Poly-ene Cyclizations","Journal of the American Chemical Society","2008","130","","592","599","10.1021/ja075518i","","","0.71073","MoKα","","0.1103","0.0771","","","0.177","0.1918","","","","","","1.031","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107285","12.3625","0.0004","12.3557","0.0004","19.3979","0.0009","96.957","0.002","93.558","0.002","119.028","0.002","2546.66","0.18","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H54 N2 O10 S2 -","- C58 H54 N2 O10 S2 -","- C116 H108 N4 O20 S4 -","2","1","","Seung-Doo Jeong; Jonathan L. Sessler; Vincent Lynch; Chang-Hee Lee","Dithiabenzisapphyrin: A Core-Modified Sapphyrin Bearing Exocyclic Double Bonds at themeso-Positions","Journal of the American Chemical Society","2008","130","","390","391","10.1021/ja075800p","","","0.71073","MoKα","","0.1517","0.0637","","","0.1083","0.1346","","","","","","1.015","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107286","4.0985","0.001","6.5533","0.0016","26.857","0.007","90","","90","","90","","721.3","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H2 Br2 N2 O -","- C6 H2 Br2 N2 O -","- C24 H8 Br8 N8 O4 -","4","1","","Nicolas Blouin; Alexandre Michaud; David Gendron; Salem Wakim; Emily Blair; Rodica Neagu-Plesu; Michel Belletête; Gilles Durocher; Ye Tao; Mario Leclerc","Toward a Rational Design of Poly(2,7-Carbazole) Derivatives for Solar Cells","Journal of the American Chemical Society","2008","130","","732","742","10.1021/ja0771989","","","0.71073","MoKα","","0.0275","0.0234","","","0.0563","0.0572","","","","","","1.311","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107287","3.97","0.003","17.147","0.013","10.871","0.008","90","","90.057","0.009","90","","740","1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H Br Cl N3 S -","- C5 H Br Cl N3 S -","- C20 H4 Br4 Cl4 N12 S4 -","4","1","","Nicolas Blouin; Alexandre Michaud; David Gendron; Salem Wakim; Emily Blair; Rodica Neagu-Plesu; Michel Belletête; Gilles Durocher; Ye Tao; Mario Leclerc","Toward a Rational Design of Poly(2,7-Carbazole) Derivatives for Solar Cells","Journal of the American Chemical Society","2008","130","","732","742","10.1021/ja0771989","","","0.71073","MoKα","","0.0646","0.0559","","","0.137","0.1395","","","","","","0.996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107288","16.2719","0.0001","27.306","0.0003","15.1544","0.0004","90","","90","","90","","6733.4","0.2","110","2","110","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C54 H72 F6 I6 P6 Pt3 -","- C54 H72 F6 I6 P6 Pt3 -","- C216 H288 F24 I24 P24 Pt12 -","4","0.5","","Anette Yahav-Levi; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Competitive Aryl-Iodide vs Aryl-Aryl Reductive Elimination Reactions in Pt(IV) Complexes: Experimental and Theoretical Studies","Journal of the American Chemical Society","2008","130","","724","731","10.1021/ja077258a","","","0.71073","MoKα","","0.0485","0.0389","","","0.0897","0.0952","","","","","","1.079","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107289","16.3151","0.0002","16.4521","0.0003","16.5118","0.0003","90","","90","","90","","4432.06","0.13","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 F2 I2 P2 Pt -","- C18 H24 F2 I2 P2 Pt -","- C144 H192 F16 I16 P16 Pt8 -","8","1","","Anette Yahav-Levi; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Competitive Aryl-Iodide vs Aryl-Aryl Reductive Elimination Reactions in Pt(IV) Complexes: Experimental and Theoretical Studies","Journal of the American Chemical Society","2008","130","","724","731","10.1021/ja077258a","","","0.71073","MoKα","","0.0558","0.0389","","","0.086","0.0932","","","","","","1.083","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107290","9.2719","0.0003","12.7773","0.0004","12.8114","0.0004","97.5703","0.0012","98.9282","0.0012","92.0227","0.0017","1483.9","0.08","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H29 Cl2 F2 I2 P2 Pt -","- C26 H29 Cl2 F2 I2 P2 Pt -","- C52 H58 Cl4 F4 I4 P4 Pt2 -","2","1","","Anette Yahav-Levi; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Competitive Aryl-Iodide vs Aryl-Aryl Reductive Elimination Reactions in Pt(IV) Complexes: Experimental and Theoretical Studies","Journal of the American Chemical Society","2008","130","","724","731","10.1021/ja077258a","","","0.71073","MoKα","","0.0871","0.049","","","0.1133","0.1335","","","","","","0.999","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107291","8.6665","0.0002","18.8864","0.0005","11.6524","0.0002","90","","93.018","0.002","90","","1904.61","0.07","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 F I P2 Pt -","- C16 H20 F I P2 Pt -","- C64 H80 F4 I4 P8 Pt4 -","4","1","","Anette Yahav-Levi; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Competitive Aryl-Iodide vs Aryl-Aryl Reductive Elimination Reactions in Pt(IV) Complexes: Experimental and Theoretical Studies","Journal of the American Chemical Society","2008","130","","724","731","10.1021/ja077258a","","","0.71073","MoKα","","0.0593","0.0425","","","0.0942","0.102","","","","","","1.036","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107292","7.6822","0.0002","8.574","0.0003","19.742","0.0007","90","","90","","90","","1300.35","0.07","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","Ngoc T. Vo; Robert D. M. Pace; Fionn O'Har; Matthew J. Gaunt","An Enantioselective Organocatalytic Oxidative Dearomatization Strategy","Journal of the American Chemical Society","2008","130","","404","405","10.1021/ja077457u","","","0.71073","MoKα","","0.0582","0.0437","","","0.098","0.1042","","","","","","1.056","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107293","8.37","0.0001","8.8878","0.0001","27.3366","0.0005","90","","90","","90","","2033.59","0.05","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O4 S -","- C22 H22 N2 O4 S -","- C88 H88 N8 O16 S4 -","4","1","","Ngoc T. Vo; Robert D. M. Pace; Fionn O'Har; Matthew J. Gaunt","An Enantioselective Organocatalytic Oxidative Dearomatization Strategy","Journal of the American Chemical Society","2008","130","","404","405","10.1021/ja077457u","","","0.71073","MoKα","","0.0482","0.0361","","","0.0773","0.0827","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107294","16.7608","0.0007","8.7196","0.0004","15.6479","0.0006","90","","103.459","0.001","90","","2224.1","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H12 Br2 N2 -","- C11 H12 Br2 N2 -","- C88 H96 Br16 N16 -","8","1","","Chen Zhang; Chandra Kanta De; Rudrajit Mal; Daniel Seidel","α-Amination of Nitrogen Heterocycles: Ring-Fused Aminals","Journal of the American Chemical Society","2008","130","","416","417","10.1021/ja077473r","","","0.71073","MoKα","","0.0277","0.0228","","","0.0557","0.0572","","","","","","1.005","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107295","18.333","0.002","7.6856","0.001","18.386","0.002","90","","108.073","0.002","90","","2462.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Br2 N2 -","- C12 H14 Br2 N2 -","- C96 H112 Br16 N16 -","8","2","","Chen Zhang; Chandra Kanta De; Rudrajit Mal; Daniel Seidel","α-Amination of Nitrogen Heterocycles: Ring-Fused Aminals","Journal of the American Chemical Society","2008","130","","416","417","10.1021/ja077473r","","","0.71073","MoKα","","0.0405","0.0317","","","0.0745","0.0773","","","","","","1.007","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107296","14.0594","0.0012","17.0448","0.0014","27.588","0.002","90","","102.559","0.002","90","","6453","0.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H94 N10 O16 -","- C57 H94 N10 O16 -","- C228 H376 N40 O64 -","4","1","","Naoki Ousaka; Tomohiro Sato; Reiko Kuroda","Intramolecular Crosslinking of an Optically Inactive 310-Helical Peptide: Stabilization of Structure and Helix Sense","Journal of the American Chemical Society","2008","130","","463","465","10.1021/ja077857h","","","0.71073","MoKα","","0.1153","0.0704","","","0.1542","0.1738","","","","","","1.031","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107297","24.3532","0.0014","29.3664","0.0016","17.4082","0.001","90","","90","","90","","12449.7","1.2","110","2","110","2","","","","","","","","4","P b a 2","P 2 -2ab","32","","","","- C117 H168.5 N23.5 O27 -","- C117 H165 N23.5 O27 -","- C468 H660 N94 O108 -","4","1","","Naoki Ousaka; Tomohiro Sato; Reiko Kuroda","Intramolecular Crosslinking of an Optically Inactive 310-Helical Peptide: Stabilization of Structure and Helix Sense","Journal of the American Chemical Society","2008","130","","463","465","10.1021/ja077857h","","","0.71073","MoKα","","0.117","0.0754","","","0.1708","0.1951","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107298","10.549","0.002","11.907","0.003","36.842","0.008","90","","90","","90","","4627.6","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O4 S -","- C26 H25 N O4 S -","- C208 H200 N8 O32 S8 -","8","2","","Ming He; Jeffrey W. Bode","Enantioselective, NHC-Catalyzed Bicyclo-β-Lactam Formation via Direct Annulations of Enals and Unsaturated N-Sulfonyl Ketimines","Journal of the American Chemical Society","2008","130","","418","419","10.1021/ja0778592","","","0.71073","MoKα","","0.1073","0.048","","","0.0921","0.1043","","","","","","0.856","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107299","13.985","0.003","14.281","0.004","17.057","0.003","94.387","0.009","113.318","0.008","112.094","0.01","2795.1","1.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H81 B N3 O4 -","- C61 H81 B N3 O4 -","- C122 H162 B2 N6 O8 -","2","1","","Eiji Tsurumaki; Shohei Saito; Kil Suk Kim; Jong Min Lim; Yasuhide Inokuma; Dongho Kim; Atsuhiro Osuka","Synthesis and Characterization of meso-Aryl-Substituted Subchlorins","Journal of the American Chemical Society","2008","130","","438","439","10.1021/ja078042b","","","0.71075","MoKα","","0.1241","0.0799","","","0.2008","0.2306","","","","","","1.047","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107300","14.0272","0.0017","14.2782","0.0018","17.054","0.002","94.453","0.002","113.348","0.002","112.079","0.002","2801","0.6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H78 B N3 O4 -","- C60.988 H77.984 B N3 O4 -","- C121.976 H155.968 B2 N6 O8 -","2","1","","Eiji Tsurumaki; Shohei Saito; Kil Suk Kim; Jong Min Lim; Yasuhide Inokuma; Dongho Kim; Atsuhiro Osuka","Synthesis and Characterization of meso-Aryl-Substituted Subchlorins","Journal of the American Chemical Society","2008","130","","438","439","10.1021/ja078042b","","","0.71073","MoKα","","0.1094","0.0717","","","0.1882","0.2122","","","","","","1.03","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107301","8.1023","0.0005","15.3441","0.0009","15.9356","0.001","90","","90","","90","","1981.2","0.2","220","2","220","2","","","","","","","","4","P n m a","-P 2ac 2n","62","cmpd 2","Hafnium dimethyl complex","","- C18 H34 Hf N2 -","- C18 H34 Hf N2 -","- C72 H136 Hf4 N8 -","4","0.5","","Wei Zhang; Lawrence R. Sita","Highly Efficient, Living Coordinative Chain-Transfer Polymerization of Propene with ZnEt2: Practical Production of Ultrahigh to Very Low Molecular Weight Amorphous Atactic Polypropenes of Extremely Narrow Polydispersity","Journal of the American Chemical Society","2008","130","","442","443","10.1021/ja078120v","","","0.71073","MoKα","","0.0193","0.0156","","","0.0367","0.0387","","","","","","0.998","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107302","11.427","0.003","13.496","0.003","15.46","0.004","64.761","0.003","80.814","0.004","84.864","0.004","2128.3","0.9","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 B4 Br4 N4 O17 -","- C30 H40 B4 Br4 N4 O17 -","- C60 H80 B8 Br8 N8 O34 -","2","1","","Suk Joong Lee; Kaitlyn C. Gray; James S. Paek; Martin D. Burke","Simple, Efficient, and Modular Syntheses of Polyene Natural Products via Iterative Cross-Coupling","Journal of the American Chemical Society","2008","130","","466","468","10.1021/ja078129x","","","0.71073","MoKα","","0.059","0.0338","","","0.0699","0.0784","","","","","","1.002","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107303","6.9032","0.0014","16.06","0.003","16.51","0.003","87.714","0.012","84.74","0.011","80.831","0.012","1798.8","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C13.5 H22 B2 N O6.25 -","- C13.5 H22 B2 N O6.25 -","- C54 H88 B8 N4 O25 -","4","2","","Suk Joong Lee; Kaitlyn C. Gray; James S. Paek; Martin D. Burke","Simple, Efficient, and Modular Syntheses of Polyene Natural Products via Iterative Cross-Coupling","Journal of the American Chemical Society","2008","130","","466","468","10.1021/ja078129x","","","0.71073","MoKα","","0.2781","0.1097","","","0.2258","0.2804","","","","","","1.345","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107304","8.3828","0.0011","14.6251","0.0017","23.336","0.004","90","","90","","90","","2861","0.7","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O3 S2 Si -","- C27 H40 O3 S2 Si -","- C108 H160 O12 S8 Si4 -","4","1","","Amos B. Smith; Matthew O. Duffey; Kallol Basu; Shawn P. Walsh; Hans W. Suennemann; Michael Frohn","Total Syntheses of the Assigned Structures of Lituarines B and C","Journal of the American Chemical Society","2008","130","","422","423","10.1021/ja078293k","","","0.71069","MoKα","","0.0383","0.028","","","0.0484","0.0516","","","","","","0.8","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107305","9.719","0.01","10.141","0.01","21.25","0.02","90","","98.578","0.016","90","","2071","4","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H59 Cl2 I O8 Si -","- C34 H59 Cl2 I O8 Si -","- C68 H118 Cl4 I2 O16 Si2 -","2","1","","Amos B. Smith; Matthew O. Duffey; Kallol Basu; Shawn P. Walsh; Hans W. Suennemann; Michael Frohn","Total Syntheses of the Assigned Structures of Lituarines B and C","Journal of the American Chemical Society","2008","130","","422","423","10.1021/ja078293k","","","0.71069","MoKα","","0.1211","0.0864","","","0.1985","0.2242","","","","","","1.086","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107306","27.2326","0.0015","27.2326","0.0015","27.2326","0.0015","90","","90","","90","","20196.1","1.9","213","2","213","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- C10 H12 Ag2 N4 -","- C10 H12 Ag2 N4 -","- C480 H576 Ag96 N192 -","48","1","","Jie-Peng Zhang; Susumu Kitagawa","Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate","Journal of the American Chemical Society","2008","130","","907","917","10.1021/ja075408b","","","0.71073","MoKα","","0.0806","0.0613","","","0.0917","0.1012","","","","","","1.01","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107307","18.537","0.0019","46.211","0.005","34.925","0.004","90","","90","","90","","29917","6","153","2","153","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C60 H72 Cu12 N24 -","- C60 H72 Cu12 N24 -","- C960 H1152 Cu192 N384 -","16","1","","Jie-Peng Zhang; Susumu Kitagawa","Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate","Journal of the American Chemical Society","2008","130","","907","917","10.1021/ja075408b","","","0.71073","MoKα","","0.0712","0.0512","","","0.1015","0.1109","","","","","","1.029","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107308","19.2056","0.0005","47.9669","0.0016","36.2063","0.0009","90","","90","","90","","33354.4","1.6","213","2","213","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C60 H72 Ag12 N24 -","- C60 H72 Ag12 N24 -","- C960 H1152 Ag192 N384 -","16","1","","Jie-Peng Zhang; Susumu Kitagawa","Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate","Journal of the American Chemical Society","2008","130","","907","917","10.1021/ja075408b","","","0.71073","MoKα","","0.0703","0.0494","","","0.0879","0.0975","","","","","","1.014","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107309","26.407","0.003","26.407","0.003","26.407","0.003","90","","90","","90","","18414","4","373","2","373","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- C10 H12 Cu2 N4 -","- C10 H12 Cu2 N4 -","- C480 H576 Cu96 N192 -","48","1","","Jie-Peng Zhang; Susumu Kitagawa","Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate","Journal of the American Chemical Society","2008","130","","907","917","10.1021/ja075408b","","","0.71073","MoKα","","0.1169","0.0642","","","0.1617","0.2063","","","","","","1.013","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107310","61.7239","0.0011","61.7239","0.0011","26.9189","0.0005","90","","90","","90","","102557","3","153","2","153","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C222 H276 Ag30 N60 -","- C222 H276 Ag30 N60 -","- C3552 H4416 Ag480 N960 -","16","1","","Jie-Peng Zhang; Susumu Kitagawa","Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate","Journal of the American Chemical Society","2008","130","","907","917","10.1021/ja075408b","","","0.71073","MoKα","","0.0821","0.0548","","","0.1051","0.1158","","","","","","1.051","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107311","27.1756","0.0008","27.1756","0.0008","81.019","0.003","90","","90","","90","","59834","3","123","2","123","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C90 H108 Ag18 N36 -","- C90 H108 Ag18 N36 -","- C1440 H1728 Ag288 N576 -","16","1","","Jie-Peng Zhang; Susumu Kitagawa","Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate","Journal of the American Chemical Society","2008","130","","907","917","10.1021/ja075408b","","","0.71073","MoKα","","0.1741","0.1664","","","0.3831","0.387","","","","","","1.441","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107312","10.307","0.004","9.951","0.004","18.585","0.007","90","","98.394","0.006","90","","1885.8","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 As2 K2 O12 Te2 -","- C24 H48 As2 K2 O12 Te2 -","- C48 H96 As4 K4 O24 Te4 -","2","0.5","","Angel Ugrinov; Ayusman Sen; Arthur C. Reber; Meichun Qian; Shiv N. Khanna","[Te2As2]2-: A Planar Motif with ""Conflicting"" Aromaticity","Journal of the American Chemical Society","2008","130","","782","783","10.1021/ja075513l","","","0.71073","MoKα","","0.0637","0.0599","","","0.1972","0.2025","","","","","","1.116","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107313","26.564","0.002","26.564","0.002","10.8869","0.0009","90","","90","","120","","6653.1","0.9","100","2","100","2","","","","","","","","3","P 63/m","-P 6c","176","La2@C78Ad","La2@C78Ad","","- C90 H18.67 La2 -","- C90.3594 H19.4 La2 -","- C542.156 H116.4 La12 -","6","0.5","","Baopeng Cao; Hidefumi Nikawa; Tsukasa Nakahodo; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Hiroshi Sawa; Zdenek Slanina; Naomi Mizorogi; Shigeru Nagase","Addition of Adamantylidene to La2@C78: Isolation and Single-Crystal X-ray Structural Determination of the Monoadducts","Journal of the American Chemical Society","2008","130","","983","989","10.1021/ja076462v","","x-ray","0.6887","synchrotron","","0.1175","0.0711","","","0.2221","0.2349","","","","","","1.022","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107314","9.546","0.003","10.848","0.003","18.803","0.005","93.51","0.005","91.168","0.005","94.964","0.006","1935.6","1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C46.5 H45 Cl2 N3 O1.5 P Rh -","- C46.5 H45 Cl2 N3 O1.5 P Rh -","- C93 H90 Cl4 N6 O3 P2 Rh2 -","2","1","","Yoshihiro Matano; Tooru Miyajima; Noriaki Ochi; Takashi Nakabuchi; Motoo Shiro; Yoshihide Nakao; Shigeyoshi Sakaki; Hiroshi Imahori","Syntheses, Structures, and Coordination Chemistry of Phosphole-Containing Hybrid Calixphyrins: Promising Macrocyclic P,N2,X-Mixed Donor Ligands for Designing Reactive Transition-Metal Complexes","Journal of the American Chemical Society","2008","130","","990","1002","10.1021/ja076709o","","","0.7107","MoKα","","0.1018","0.0698","","","0.1686","0.1966","","","","","","1.121","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107315","11.4831","0.0018","13.406","0.002","13.519","0.002","80.666","0.006","86.396","0.006","66.557","0.005","1884.1","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H43 Cl2 N2 O P -","- C46 H43 Cl2 N2 O P -","- C92 H86 Cl4 N4 O2 P2 -","2","1","","Yoshihiro Matano; Tooru Miyajima; Noriaki Ochi; Takashi Nakabuchi; Motoo Shiro; Yoshihide Nakao; Shigeyoshi Sakaki; Hiroshi Imahori","Syntheses, Structures, and Coordination Chemistry of Phosphole-Containing Hybrid Calixphyrins: Promising Macrocyclic P,N2,X-Mixed Donor Ligands for Designing Reactive Transition-Metal Complexes","Journal of the American Chemical Society","2008","130","","990","1002","10.1021/ja076709o","","","0.7107","MoKα","","0.0747","0.0579","","","0.1214","0.1306","","","","","","1.05","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107316","9.57301","0.00017","10.8775","0.0002","40.2774","0.0007","90","","90.5195","0.0007","90","","4193.93","0.13","100.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H51 Cl2 N3 O P Rh -","- C50 H51 Cl2 N3 O P Rh -","- C200 H204 Cl8 N12 O4 P4 Rh4 -","4","1","","Yoshihiro Matano; Tooru Miyajima; Noriaki Ochi; Takashi Nakabuchi; Motoo Shiro; Yoshihide Nakao; Shigeyoshi Sakaki; Hiroshi Imahori","Syntheses, Structures, and Coordination Chemistry of Phosphole-Containing Hybrid Calixphyrins: Promising Macrocyclic P,N2,X-Mixed Donor Ligands for Designing Reactive Transition-Metal Complexes","Journal of the American Chemical Society","2008","130","","990","1002","10.1021/ja076709o","","","1.54187","CuKα","","","0.0539","","","","0.1334","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107317","14.7171","0.0016","12.7237","0.0013","20.121","0.002","90","","96.749","0.002","90","","3741.7","0.7","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H39 Au Cl N2 P S -","- C45 H39 Au Cl N2 P S -","- C180 H156 Au4 Cl4 N8 P4 S4 -","4","1","","Yoshihiro Matano; Tooru Miyajima; Noriaki Ochi; Takashi Nakabuchi; Motoo Shiro; Yoshihide Nakao; Shigeyoshi Sakaki; Hiroshi Imahori","Syntheses, Structures, and Coordination Chemistry of Phosphole-Containing Hybrid Calixphyrins: Promising Macrocyclic P,N2,X-Mixed Donor Ligands for Designing Reactive Transition-Metal Complexes","Journal of the American Chemical Society","2008","130","","990","1002","10.1021/ja076709o","","","0.7107","MoKα","","0.0368","0.0306","","","0.0622","0.0646","","","","","","1.044","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107318","11.056","0.002","13.536","0.003","14.851","0.003","108.605","0.003","93.413","0.001","100.105","0.003","2057.7","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H53 N2 O P Pd -","- C51 H53 N2 O P Pd -","- C102 H106 N4 O2 P2 Pd2 -","2","1","","Yoshihiro Matano; Tooru Miyajima; Noriaki Ochi; Takashi Nakabuchi; Motoo Shiro; Yoshihide Nakao; Shigeyoshi Sakaki; Hiroshi Imahori","Syntheses, Structures, and Coordination Chemistry of Phosphole-Containing Hybrid Calixphyrins: Promising Macrocyclic P,N2,X-Mixed Donor Ligands for Designing Reactive Transition-Metal Complexes","Journal of the American Chemical Society","2008","130","","990","1002","10.1021/ja076709o","","","0.7107","MoKα","","0.0405","0.0367","","","0.0905","0.0921","","","","","","1.064","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107319","25.9707","0.0005","10.16657","0.00018","31.7731","0.0006","90","","113.403","0.0007","90","","7699","0.3","93.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 Cl2 N3 P -","- C46 H42 Cl2 N3 P -","- C368 H336 Cl16 N24 P8 -","8","2","","Yoshihiro Matano; Tooru Miyajima; Noriaki Ochi; Takashi Nakabuchi; Motoo Shiro; Yoshihide Nakao; Shigeyoshi Sakaki; Hiroshi Imahori","Syntheses, Structures, and Coordination Chemistry of Phosphole-Containing Hybrid Calixphyrins: Promising Macrocyclic P,N2,X-Mixed Donor Ligands for Designing Reactive Transition-Metal Complexes","Journal of the American Chemical Society","2008","130","","990","1002","10.1021/ja076709o","","","1.54187","CuKα","","","0.1414","","","","0.4181","","","","","","1.237","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107320","10.9623","0.0002","22.194","0.0005","12.8804","0.0003","90","","112.154","0.001","90","","2902.41","0.11","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 F3 Ir N O -","- C31 H39 F3 Ir N O -","- C124 H156 F12 Ir4 N4 O4 -","4","1","","Mark R. Ringenberg; Swarna Latha Kokatam; Zachariah M. Heiden; Thomas B. Rauchfuss","Redox-Switched Oxidation of Dihydrogen Using a Non-Innocent Ligand","Journal of the American Chemical Society","2008","130","","788","789","10.1021/ja076801k","","","0.71073","MoKα","","0.0559","0.0349","","","0.0827","0.0925","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107321","12.7251","0.0003","16.5921","0.0004","18.5918","0.0005","102.098","0.002","102.096","0.002","100.019","0.002","3654.24","0.17","297","2","297","2","","","","","","","","8","P -1","-P 1","2","","","","- C65 H55 B Cl4 F27 Ir N O -","- C65 H55 B Cl4 F27 Ir N O -","- C130 H110 B2 Cl8 F54 Ir2 N2 O2 -","2","1","","Mark R. Ringenberg; Swarna Latha Kokatam; Zachariah M. Heiden; Thomas B. Rauchfuss","Redox-Switched Oxidation of Dihydrogen Using a Non-Innocent Ligand","Journal of the American Chemical Society","2008","130","","788","789","10.1021/ja076801k","","","0.71073","MoKα","","0.1112","0.0657","","","0.1574","0.1819","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107322","21.4287","0.0007","21.4287","0.0007","23.3492","0.0009","90","","90","","120","","9285.3","0.6","120","2","120","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C74 H208 Co13 N18 O62 -","- C74 H108 Co13 N18 O62.04 -","- C148 H216 Co26 N36 O124.08 -","2","0.0833333","","Graham N. Newton; Geoffrey J. T. Cooper; Paul Kögerler; De-Liang Long; Leroy Cronin","Trading Templates: Supramolecular Transformations between {CoII13} and {CoII12} Nanoclusters","Journal of the American Chemical Society","2008","130","","790","791","10.1021/ja0768183","","","0.71073","MoKα","","0.1129","0.0778","","","0.2144","0.2478","","","","","","1.072","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107323","15.19","0.003","16.496","0.003","43.489","0.007","90","","90","","90","","10897","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C73 H119.5 Cl2 N12.5 O34 Zn -","- C73 H95.5 Cl2 N12.5 O34 Zn -","- C292 H382 Cl8 N50 O136 Zn4 -","4","1","","Hiroyuki Miyake; Hiroshi Kamon; Ikuko Miyahara; Hideki Sugimoto; Hiroshi Tsukube","Time-Programmed Peptide Helix Inversion of a Synthetic Metal Complex Triggered by an Achiral NO3- Anion","Journal of the American Chemical Society","2008","130","","792","793","10.1021/ja0768385","","","0.7107","MoKα","","0.192","0.1634","","","0.3946","0.4169","","","","","","1.159","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107324","15.6682","0.0008","15.6682","0.0008","37.154","0.002","90","","90","","120","","7899","0.7","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C79 H102 Cl15 N15 O20 Zn -","- C79 H102 Cl15 N15 O20 Zn -","- C237 H306 Cl45 N45 O60 Zn3 -","3","0.5","","Hiroyuki Miyake; Hiroshi Kamon; Ikuko Miyahara; Hideki Sugimoto; Hiroshi Tsukube","Time-Programmed Peptide Helix Inversion of a Synthetic Metal Complex Triggered by an Achiral NO3- Anion","Journal of the American Chemical Society","2008","130","","792","793","10.1021/ja0768385","","","0.7107","MoKα","","0.1217","0.118","","","0.3496","0.3531","","","","","","1.66","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107325","10.1639","0.0019","12.297","0.002","14.944","0.003","90","","109.881","0.001","90","","1756.5","0.6","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","frowh05","","","- C19 H22 O7 -","- C19 H22 O7 -","- C76 H88 O28 -","4","1","","Wei He; Ildiko R. Herrick; Tulay A. Atesin; Patrick A. Caruana; Colleen A. Kellenberger; Alison J. Frontier","Polarizing the Nazarov Cyclization: The Impact of Dienone Substitution Pattern on Reactivity and Selectivity","Journal of the American Chemical Society","2008","130","","1003","1011","10.1021/ja077162g","","","0.71073","MoKα","","0.0605","0.0452","","","0.107","0.1143","","","","","","1.03","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107326","18.453","0.0004","18.453","0.0004","76.976","0.004","90","","90","","120","","22699.7","1.4","90","2","90","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","PCN-14","","","- C270 H162 Cu18 O90 -","- C270 H126 Cu18 O90 -","- C540 H252 Cu36 O180 -","2","0.0555556","","Shengqian Ma; Daofeng Sun; Jason M. Simmons; Christopher D. Collier; Daqiang Yuan; Hong-Cai Zhou","Metal-Organic Framework from an Anthracene Derivative Containing Nanoscopic Cages Exhibiting High Methane Uptake","Journal of the American Chemical Society","2008","130","","1012","1016","10.1021/ja0771639","","","1.54178","CuKα","","0.0597","0.0518","","","0.1591","0.1658","","","","","","1.071","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107327","14.4595","0.0006","15.5595","0.0005","43.521","0.002","90","","96.035","0.005","90","","9737.2","0.7","150","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C89 H100 Cl3 Eu N17 O13.5 S3 -","- C89 H93 Cl3 Eu N17 O13.5 S3 -","- C356 H372 Cl12 Eu4 N68 O54 S12 -","4","1","","Gabriel Canard; Sylvain Koeller; Gérald Bernardinelli; Claude Piguet","Effective Concentration as a Tool for Quantitatively Addressing Preorganization in Multicomponent Assemblies: Application to the Selective Complexation of Lanthanide Cations","Journal of the American Chemical Society","2008","130","","1025","1040","10.1021/ja0772290","","","0.71073","MoKα","","","0.05","","","","0.049","","","","","","1.37","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107328","12.5244","0.0006","18.3649","0.0008","32.6093","0.0015","90","","90","","90","","7500.4","0.6","90","2","90","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","[RNiCO][BF4]2 + 4DCM","","","- C65 H96 B2 Cl8 F8 N4 Ni O P4 -","- C65 H96 B2 Cl8 F8 N4 Ni O P4 -","- C260 H384 B8 Cl32 F32 N16 Ni4 O4 P16 -","4","1","","Aaron D. Wilson; Kendra Fraze; Brendan Twamley; Susie M. Miller; Daniel L. DuBois; M. Rakowski DuBois","The Role of the Second Coordination Sphere of [Ni(PCy2NBz2)2](BF4)2 in Reversible Carbon Monoxide Binding","Journal of the American Chemical Society","2008","130","","1061","1068","10.1021/ja077328d","","","0.71073","MoKα","","0.0502","0.0445","","","0.1155","0.1191","","","","","","1.062","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107329","12.5357","0.0007","17.9197","0.0009","33.6355","0.0018","90","","90","","90","","7555.7","0.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C73 H112 B2 F8 N6 Ni O P4 -","- C73 H112 B2 F8 N6 Ni O P4 -","- C292 H448 B8 F32 N24 Ni4 O4 P16 -","4","1","","Aaron D. Wilson; Kendra Fraze; Brendan Twamley; Susie M. Miller; Daniel L. DuBois; M. Rakowski DuBois","The Role of the Second Coordination Sphere of [Ni(PCy2NBz2)2](BF4)2 in Reversible Carbon Monoxide Binding","Journal of the American Chemical Society","2008","130","","1061","1068","10.1021/ja077328d","","","0.71073","MoKα","","0.1058","0.06","","","0.1258","0.1447","","","","","","0.994","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107330","39.938","0.006","39.938","0.006","39.938","0.006","90","","90","","90","","63703","17","173","2","173","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C42 H40 N2 O18 Zn4 -","- C42.08 H41.12 N2 O18 Zn4 -","- C1009.92 H986.88 N48 O432 Zn96 -","24","0.125","","Hyungphil Chun","Low-Level Self-Assembly of Open Framework Based on Three Different Polyhedra: Metal-Organic Analogue of Face-Centered Cubic Dodecaboride","Journal of the American Chemical Society","2008","130","","800","801","10.1021/ja0776778","","","0.71073","MoKα","","0.1035","0.0892","","","0.2092","0.2195","","","","","","1.18","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107331","10.51","0.011","25.71","0.03","11.552","0.017","90","","114.11","0.05","90","","2849","6","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 N2 O5 S Si -","- C28 H36 N2 O5 S Si -","- C112 H144 N8 O20 S4 Si4 -","4","1","","Yuji Onizawa; Hiroyuki Kusama; Nobuharu Iwasawa","Efficient Control of π-Alkyne and Vinylidene Complex Pathways for the W(CO)5(L)-Catalyzed Synthesis of Two Types of Nitrogen-Containing Bicyclic Compounds","Journal of the American Chemical Society","2008","130","","802","803","10.1021/ja0782605","","","0.71075","MoKα","","0.0576","0.0485","","","0.1644","0.1731","","","","","","1.327","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107332","7.9221","0.0002","30.679","0.0007","6.319","0.0002","90","","100.367","0.002","90","","1510.71","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O4 S -","- C15 H19 N O4 S -","- C60 H76 N4 O16 S4 -","4","1","","Yuji Onizawa; Hiroyuki Kusama; Nobuharu Iwasawa","Efficient Control of π-Alkyne and Vinylidene Complex Pathways for the W(CO)5(L)-Catalyzed Synthesis of Two Types of Nitrogen-Containing Bicyclic Compounds","Journal of the American Chemical Society","2008","130","","802","803","10.1021/ja0782605","","","0.71073","MoKα","","0.0451","0.0424","","","0.1088","0.1112","","","","","","1.131","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107333","21.944","0.003","22.017","0.002","20.452","0.002","90","","90","","90","","9881.2","1.9","103","","103","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C96 H18 Cl2 La2 -","- C96 H18 Cl2 La2 -","- C768 H144 Cl16 La16 -","8","1","","Michio Yamada; Chika Someya; Takatsugu Wakahara; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Michael T. H. Liu; Naomi Mizorogi; Shigeru Nagase","Metal Atoms Collinear with the Spiro Carbon of 6,6-Open Adducts, M2@C80(Ad) (M = La and Ce, Ad = Adamantylidene)","Journal of the American Chemical Society","2008","130","","1171","1176","10.1021/ja073924w","","","0.71075","MoKα","","0.0806","0.0602","","","0.1631","0.1714","","","","","","1.218","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107334","22.031","0.003","22.122","0.003","20.498","0.002","90","","90","","90","","9990","2","273","","273","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C96 H18 Cl2 La2 -","- C96 H18 Cl2 La2 -","- C768 H144 Cl16 La16 -","8","1","","Michio Yamada; Chika Someya; Takatsugu Wakahara; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Michael T. H. Liu; Naomi Mizorogi; Shigeru Nagase","Metal Atoms Collinear with the Spiro Carbon of 6,6-Open Adducts, M2@C80(Ad) (M = La and Ce, Ad = Adamantylidene)","Journal of the American Chemical Society","2008","130","","1171","1176","10.1021/ja073924w","","","0.71075","MoKα","","0.1178","0.0746","","","0.18","0.1945","","","","","","1.192","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107335","21.966","0.003","22.066","0.003","20.473","0.002","90","","90","","90","","9923","2","188","","188","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C96 H18 Cl2 La2 -","- C96 H18 Cl2 La2 -","- C768 H144 Cl16 La16 -","8","1","","Michio Yamada; Chika Someya; Takatsugu Wakahara; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Michael T. H. Liu; Naomi Mizorogi; Shigeru Nagase","Metal Atoms Collinear with the Spiro Carbon of 6,6-Open Adducts, M2@C80(Ad) (M = La and Ce, Ad = Adamantylidene)","Journal of the American Chemical Society","2008","130","","1171","1176","10.1021/ja073924w","","","0.71075","MoKα","","0.0843","0.0593","","","0.1582","0.1675","","","","","","1.148","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107336","21.958","0.003","22.035","0.002","20.4625","0.0017","90","","90","","90","","9900.7","1.8","133","","133","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C96 H18 Cl2 La2 -","- C96 H18 Cl2 La2 -","- C768 H144 Cl16 La16 -","8","1","","Michio Yamada; Chika Someya; Takatsugu Wakahara; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Michael T. H. Liu; Naomi Mizorogi; Shigeru Nagase","Metal Atoms Collinear with the Spiro Carbon of 6,6-Open Adducts, M2@C80(Ad) (M = La and Ce, Ad = Adamantylidene)","Journal of the American Chemical Society","2008","130","","1171","1176","10.1021/ja073924w","","","0.71075","MoKα","","0.0757","0.059","","","0.1609","0.168","","","","","","1.232","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107337","10.4875","0.0008","17.2088","0.0013","21.1554","0.0015","90","","90","","90","","3818.1","0.5","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H53 Cl Mo N2 O2 -","- C42 H53 Cl Mo N2 O2 -","- C168 H212 Cl4 Mo4 N8 O8 -","4","0.5","","Soumya Sarkar; Adam R. Carlson; Melanie K. Veige; Joseph M. Falkowski; Khalil A. Abboud; Adam S. Veige","Synthesis, Characterization, and Reactivity of a d2, Mo(IV) Complex Supported by a New OCO-Trianionic Pincer Ligand","Journal of the American Chemical Society","2008","130","","1116","1117","10.1021/ja074901k","","","0.71073","MoKα","","0.0386","0.0263","","","0.0771","0.0804","","","","","","1.241","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107338","8.5921","0.001","11.8394","0.0014","18.796","0.002","87.278","0.002","89.349","0.002","69.916","0.002","1793.7","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H57 Mo N3 O4 -","- C36 H57 Mo N3 O4 -","- C72 H114 Mo2 N6 O8 -","2","1","","Soumya Sarkar; Adam R. Carlson; Melanie K. Veige; Joseph M. Falkowski; Khalil A. Abboud; Adam S. Veige","Synthesis, Characterization, and Reactivity of a d2, Mo(IV) Complex Supported by a New OCO-Trianionic Pincer Ligand","Journal of the American Chemical Society","2008","130","","1116","1117","10.1021/ja074901k","","","0.71073","MoKα","","0.0772","0.0477","","","0.0957","0.109","","","","","","0.964","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107339","11.3721","0.0009","18.4744","0.0014","14.49","0.0011","90","","102","0.002","90","","2977.7","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 Br0 Mo N3 O3 -","- C31 H41 Br0.04 Mo N3 O3 -","- C124 H164 Br0.16 Mo4 N12 O12 -","4","1","","Soumya Sarkar; Adam R. Carlson; Melanie K. Veige; Joseph M. Falkowski; Khalil A. Abboud; Adam S. Veige","Synthesis, Characterization, and Reactivity of a d2, Mo(IV) Complex Supported by a New OCO-Trianionic Pincer Ligand","Journal of the American Chemical Society","2008","130","","1116","1117","10.1021/ja074901k","","","0.71073","MoKα","","0.0877","0.0539","","","0.1028","0.1136","","","","","","1.022","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107340","27.596","0.002","12.179","0.0011","15.0118","0.0013","90","","110.139","0.002","90","","4736.9","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H33.98 Br0.02 O2 -","- C28 H33.98 Br0.02 O2 -","- C224 H271.84 Br0.16 O16 -","8","1","","Soumya Sarkar; Adam R. Carlson; Melanie K. Veige; Joseph M. Falkowski; Khalil A. Abboud; Adam S. Veige","Synthesis, Characterization, and Reactivity of a d2, Mo(IV) Complex Supported by a New OCO-Trianionic Pincer Ligand","Journal of the American Chemical Society","2008","130","","1116","1117","10.1021/ja074901k","","","0.71073","MoKα","","0.068","0.0423","","","0.1066","0.1168","","","","","","1.05","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107341","14.1177","0.001","14.6884","0.001","15.0127","0.001","90","","100.867","0.001","90","","3057.3","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H40 Mo N3 Na O3 -","- C31 H40 Mo N3 Na O3 -","- C124 H160 Mo4 N12 Na4 O12 -","4","1","","Soumya Sarkar; Adam R. Carlson; Melanie K. Veige; Joseph M. Falkowski; Khalil A. Abboud; Adam S. Veige","Synthesis, Characterization, and Reactivity of a d2, Mo(IV) Complex Supported by a New OCO-Trianionic Pincer Ligand","Journal of the American Chemical Society","2008","130","","1116","1117","10.1021/ja074901k","","","0.71073","MoKα","","0.0377","0.027","","","0.0662","0.0695","","","","","","1.029","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107342","12.985","0.002","30.152","0.005","13.181","0.002","90","","118.745","0.003","90","","4524.7","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H85 Nb O3 Si3 -","- C38 H68.59 Nb O3 Si3 -","- C152 H274.36 Nb4 O12 Si12 -","4","1","","Kurt F. Hirsekorn; Elliott B. Hulley; Peter T. Wolczanski; Thomas R. Cundari","Olefin Substitution in (silox)3M(olefin) (silox =tBu3SiO; M = Nb, Ta): The Role of Density of States in Second vs Third Row Transition Metal Reactivity","Journal of the American Chemical Society","2008","130","","1183","1196","10.1021/ja074972j","","","0.71073","MoKα","","0.0736","0.0541","","","0.1834","0.1921","","","","","","1.358","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107343","24.2852","0.0013","8.8145","0.0005","23.9509","0.0013","90","","111.97","0.003","90","","4754.7","0.5","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C80 H180 O7 Si6 Ta2 -","- C80 H172 O7 Si6 Ta2 -","- C160 H344 O14 Si12 Ta4 -","2","1","","Kurt F. Hirsekorn; Elliott B. Hulley; Peter T. Wolczanski; Thomas R. Cundari","Olefin Substitution in (silox)3M(olefin) (silox =tBu3SiO; M = Nb, Ta): The Role of Density of States in Second vs Third Row Transition Metal Reactivity","Journal of the American Chemical Society","2008","130","","1183","1196","10.1021/ja074972j","","","0.71073","MoKα","","0.0484","0.0312","","","0.0616","0.0651","","","","","","1.015","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107344","12.6914","0.0005","17.3097","0.0007","22.8051","0.0008","90","","90.974","0.001","90","","5009.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H91 Nb O3 Si3 -","- C45 H91 Nb O3 Si3 -","- C180 H364 Nb4 O12 Si12 -","4","1","","Kurt F. Hirsekorn; Elliott B. Hulley; Peter T. Wolczanski; Thomas R. Cundari","Olefin Substitution in (silox)3M(olefin) (silox =tBu3SiO; M = Nb, Ta): The Role of Density of States in Second vs Third Row Transition Metal Reactivity","Journal of the American Chemical Society","2008","130","","1183","1196","10.1021/ja074972j","","","0.71073","MoKα","","0.0668","0.0396","","","0.0858","0.0958","","","","","","1.026","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107345","13.0005","0.0009","20.9227","0.0015","17.2188","0.0011","90","","91.034","0.003","90","","4682.8","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H89 Nb O3 Si3 -","- C40 H89 Nb O3 Si3 -","- C160 H356 Nb4 O12 Si12 -","4","1","","Kurt F. Hirsekorn; Elliott B. Hulley; Peter T. Wolczanski; Thomas R. Cundari","Olefin Substitution in (silox)3M(olefin) (silox =tBu3SiO; M = Nb, Ta): The Role of Density of States in Second vs Third Row Transition Metal Reactivity","Journal of the American Chemical Society","2008","130","","1183","1196","10.1021/ja074972j","","","0.71073","MoKα","","0.0653","0.0351","","","0.0849","0.0935","","","","","","1.072","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107346","9.6066","0.0002","10.5689","0.0002","19.4575","0.0002","77.684","0.0004","87.776","0.0004","72.669","0.0004","1841.8","0.06","193.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H54 B Cl2 Cu N7 O -","- C31 H54 B Cl2 Cu N7 O -","- C62 H108 B2 Cl4 Cu2 N14 O2 -","2","1","","Kiyoshi Fujisawa; Akira Tateda; Yoshitaro Miyashita; Ken-ichi Okamoto; Florian Paulat; V. K. K. Praneeth; Anna Merkle; Nicolai Lehnert","Structural and Spectroscopic Characterization of Mononuclear Copper(I) Nitrosyl Complexes: End-on versus Side-on Coordination of NO to Copper(I)","Journal of the American Chemical Society","2008","130","","1205","1213","10.1021/ja075071d","","","0.7107","MoKα","","","0.0825","","","","0.1077","","","","","","1.829","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107347","33.4238","0.0017","15.7109","0.0005","10.2231","0.0004","90","","90","","90","","5368.3","0.4","183.1","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H56 Cl13 Cu N7 O5 -","- C35 H56 Cl13 Cu N7 O5 -","- C140 H224 Cl52 Cu4 N28 O20 -","4","0.5","","Kiyoshi Fujisawa; Akira Tateda; Yoshitaro Miyashita; Ken-ichi Okamoto; Florian Paulat; V. K. K. Praneeth; Anna Merkle; Nicolai Lehnert","Structural and Spectroscopic Characterization of Mononuclear Copper(I) Nitrosyl Complexes: End-on versus Side-on Coordination of NO to Copper(I)","Journal of the American Chemical Society","2008","130","","1205","1213","10.1021/ja075071d","","","0.7107","MoKα","","","0.0677","","","","0.0948","","","","","","1.462","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107348","8.859","0.0008","8.859","0.0008","2.7094","0.0005","90","","90","","90","","212.64","0.05","293","2","293","2","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","","","- Ga5 Mn2 -","- Ga5 Mn2 -","- Ga10 Mn4 -","2","0.125","","Sang-Hwan Kim; Magnus Boström; Dong-Kyun Seo","Two-Dimensional Superdegeneracy and Structure-Magnetism Correlations in Strong Ferromagnet, Mn2Ga5","Journal of the American Chemical Society","2008","130","","1384","1391","10.1021/ja0765924","","","0.71073","MoKα","","0.0404","0.0382","","","0.0818","0.083","","","","","","1.492","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107349","16.617","0.003","19.661","0.004","12.12","0.002","90","","90","","90","","3959.7","1.3","163","2","163","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C44 H28 Cd Cl2 N8 O8 -","- C44 H28 Cd Cl2 N8 O8.02 -","- C176 H112 Cd4 Cl8 N32 O32.08 -","4","0.25","","Gregory M. Cockrell; Gang Zhang; Donald G. VanDerveer; Randolph P. Thummel; Robert D. Hancock","Enhanced Metal Ion Selectivity of 2,9-Di-(pyrid-2-yl)-1,10-phenanthroline and Its Use as a Fluorescent Sensor for Cadmium(II)","Journal of the American Chemical Society","2008","130","","1420","1430","10.1021/ja077141m","","","0.71073","MoKα","","0.0367","0.0321","","","0.0705","0.0734","","","","","","1.138","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107350","13.651","0.003","11.338","0.002","15.033","0.003","90","","107.58","0.03","90","","2218.1","0.8","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl2 Hg N4 O8.5 -","- C22 H14 Cl2 Hg N4 O8.5 -","- C88 H56 Cl8 Hg4 N16 O34 -","4","1","","Gregory M. Cockrell; Gang Zhang; Donald G. VanDerveer; Randolph P. Thummel; Robert D. Hancock","Enhanced Metal Ion Selectivity of 2,9-Di-(pyrid-2-yl)-1,10-phenanthroline and Its Use as a Fluorescent Sensor for Cadmium(II)","Journal of the American Chemical Society","2008","130","","1420","1430","10.1021/ja077141m","","","0.71073","MoKα","","0.0803","0.0652","","","0.1622","0.1791","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107351","15.715","0.003","11.425","0.002","27.309","0.006","90","","104.72","0.03","90","","4742.2","1.7","158","2","158","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14.5 Cl2 N4 O9 Pb -","- C22 H14.5 Cl2 N4 O9 Pb -","- C176 H116 Cl16 N32 O72 Pb8 -","8","2","","Gregory M. Cockrell; Gang Zhang; Donald G. VanDerveer; Randolph P. Thummel; Robert D. Hancock","Enhanced Metal Ion Selectivity of 2,9-Di-(pyrid-2-yl)-1,10-phenanthroline and Its Use as a Fluorescent Sensor for Cadmium(II)","Journal of the American Chemical Society","2008","130","","1420","1430","10.1021/ja077141m","","","0.71073","MoKα","","0.0597","0.0515","","","0.0985","0.1016","","","","","","1.208","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107352","14.541","0.003","18.514","0.004","19.462","0.004","74.96","0.03","88.13","0.03","68.18","0.03","4686","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H63 Cl2 Fe N7 O11 -","- C42 H63 Cl2 Fe N7 O11 -","- C168 H252 Cl8 Fe4 N28 O44 -","4","2","","Maksym Seredyuk; Ana B. Gaspar; Vadim Ksenofontov; Yury Galyametdinov; Joachim Kusz; Philipp Gütlich","Does the Solid-Liquid Crystal Phase Transition Provoke the Spin-State Change in Spin-Crossover Metallomesogens?","Journal of the American Chemical Society","2008","130","","1431","1439","10.1021/ja077265z","","","0.71073","MoKα","","0.0907","0.047","","","0.1288","0.1454","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107353","18.713","0.005","19.072","0.005","14.697","0.005","90","0.005","111.175","0.005","90","0.005","4891","2","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H69 Cl2 Fe N7 O11 -","- C45 H69 Cl2 Fe N7 O11 -","- C180 H276 Cl8 Fe4 N28 O44 -","4","1","","Maksym Seredyuk; Ana B. Gaspar; Vadim Ksenofontov; Yury Galyametdinov; Joachim Kusz; Philipp Gütlich","Does the Solid-Liquid Crystal Phase Transition Provoke the Spin-State Change in Spin-Crossover Metallomesogens?","Journal of the American Chemical Society","2008","130","","1431","1439","10.1021/ja077265z","","","0.71073","MoKα","","0.1311","0.0483","","","0.102","0.122","","","","","","0.857","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107354","18.836","0.004","19.926","0.004","15.216","0.003","90","","108.56","0.03","90","","5414","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H69 Cl2 Fe N7 O11 -","- C45 H69 Cl2 Fe N7 O11 -","- C180 H276 Cl8 Fe4 N28 O44 -","4","1","","Maksym Seredyuk; Ana B. Gaspar; Vadim Ksenofontov; Yury Galyametdinov; Joachim Kusz; Philipp Gütlich","Does the Solid-Liquid Crystal Phase Transition Provoke the Spin-State Change in Spin-Crossover Metallomesogens?","Journal of the American Chemical Society","2008","130","","1431","1439","10.1021/ja077265z","","","0.71073","MoKα","","0.322","0.0902","","","0.2473","0.2926","","","","","","0.82","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107355","18.8707","0.0011","13.9159","0.0008","12.4345","0.0007","90","","95.581","0.003","90","","3249.9","0.3","130","2","130","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Eilaf002","Eilaf002","","- C50 H32 N2 -","- C50 H32 N2 -","- C200 H128 N8 -","4","0.5","","Eilaf Ahmed; Alejandro L. Briseno; Younan Xia; Samson A. Jenekhe","High Mobility Single-Crystal Field-Effect Transistors from Bisindoloquinoline Semiconductors","Journal of the American Chemical Society","2008","130","","1118","1119","10.1021/ja077444g","","","0.71073","MoKα","","0.1826","0.0579","","","0.1025","0.1311","","","","","","0.963","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107356","9.228","0.002","11.56","0.003","14.204","0.004","90","","90","","90","","1515.2","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Masami Sakamoto; Mamoru Kato; Yoko Aida; Kazuyuki Fujita; Takashi Mino; Tsutomu Fujita","Photosensitized 2 + 2 Cycloaddition Reaction Using Homochirality Generated by Spontaneous Crystallization","Journal of the American Chemical Society","2008","130","","1132","1133","10.1021/ja077912m","","","1.54178","CuKα","","0.0462","0.0445","","","0.1157","0.1181","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107357","9.914","0.002","13.46","0.003","14.925","0.004","90","","108.382","0.002","90","","1890","0.8","173","","173","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C80 H108 N4 O16 -","4","1","","Masami Sakamoto; Mamoru Kato; Yoko Aida; Kazuyuki Fujita; Takashi Mino; Tsutomu Fujita","Photosensitized 2 + 2 Cycloaddition Reaction Using Homochirality Generated by Spontaneous Crystallization","Journal of the American Chemical Society","2008","130","","1132","1133","10.1021/ja077912m","","","0.71073","MoKα","","0.0393","0.0369","","","0.106","0.1086","","","","","","0.967","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107358","14.1734","0.0017","14.2085","0.0017","19.193","0.002","90","","106.093","0.001","90","","3713.7","0.7","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C160 H216 N8 O32 -","8","1","","Masami Sakamoto; Mamoru Kato; Yoko Aida; Kazuyuki Fujita; Takashi Mino; Tsutomu Fujita","Photosensitized 2 + 2 Cycloaddition Reaction Using Homochirality Generated by Spontaneous Crystallization","Journal of the American Chemical Society","2008","130","","1132","1133","10.1021/ja077912m","","","0.71073","MoKα","","0.055","0.0462","","","0.1265","0.1319","","","","","","1.013","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107359","35.42","0.02","14.532","0.008","29.733","0.017","90","","124.497","0.008","90","","12613","12","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C117 H188 F3 Fe N4 O11 S Si8 -","- C117 H188 F3 Fe N4 O11 S Si8 -","- C468 H752 F12 Fe4 N16 O44 S4 Si32 -","4","0.5","","Ming Fang; Scott R. Wilson; Kenneth S. Suslick","A Four-Coordinate Fe(III) Porphyrin Cation","Journal of the American Chemical Society","2008","130","","1134","1135","10.1021/ja078061l","","","0.71073","MoKα","","0.0896","0.0573","","","0.1486","0.1717","","","","","","1.025","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107360","37.028","0.002","29.3262","0.0019","29.3677","0.0018","90","","90","","90","","31890","3","193","2","193","2","","","","","","","","10","C m c 21","C 2c -2","36","","","","- C998.48 H1702.91 Ag2.48 B115.33 Br62.91 Cl8 Fe8 N32 O64 Si64 -","- C1000.49 H1706.93 Ag2.488 B115.368 Br62.928 Cl8 Fe8 N32 O64 Si64 -","- C1000.49 H1706.93 Ag2.488 B115.368 Br62.928 Cl8 Fe8 N32 O64 Si64 -","1","0.125","","Ming Fang; Scott R. Wilson; Kenneth S. Suslick","A Four-Coordinate Fe(III) Porphyrin Cation","Journal of the American Chemical Society","2008","130","","1134","1135","10.1021/ja078061l","","","0.71073","MoKα","","0.3398","0.0986","","","0.2398","0.2824","","","","","","1.289","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107361","23.048","0.003","24.649","0.003","17.081","0.003","90","","132.192","0.004","90","","7189.6","1.9","295","2","295","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","NTHU6","","","- C30 H43 Ga10 N4 O51 P9 -","- C4 Ga10 O48 P9 -","- C16 Ga40 O192 P36 -","4","0.5","","Ya-Ching Yang; Sue-Lein Wang","Intrinsic Yellow Light Phosphor: An Organic-Inorganic Hybrid Gallium Oxalatophosphate with Hexameric Octahedral Ga6(OH)4O26 Cluster","Journal of the American Chemical Society","2008","130","","1146","1147","10.1021/ja7101423","","","0.71073","MoKα","","0.1477","0.0788","","","0.2099","0.2493","","","","","","0.997","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107362","9.2186","0.0003","11.7478","0.0003","12.7738","0.0003","83.2188","0.0015","70.2479","0.0014","76.7223","0.0016","1265.95","0.06","160","1","160","1","","","","","","","","3","P 1","P 1","1","","","","- C65 H60 O5 -","- C65 H60 O5 -","- C65 H60 O5 -","1","1","","Tomoharu Hayama; Kim K. Baldridge; Yao-Ting Wu; Anthony Linden; Jay S. Siegel","Steric Isotope Effects Gauged by the Bowl-Inversion Barrier in Selectively Deuterated Pentaarylcorannulenes","Journal of the American Chemical Society","2008","130","","1583","1591","10.1021/ja073052y","","","0.71073","MoKα","","0.0652","0.0451","","","0.0999","0.1124","","","","","","1.067","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107363","23.176","0.001","13.167","0.0008","12.921","0.0008","90","","90.623","0.004","90","","3942.7","0.4","175","","175","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H72 Mn2 N8 O6 P2 -","- C100 H72 Mn2 N8 O6 P2 -","- C200 H144 Mn4 N16 O12 P4 -","2","0.25","","Kevin Bernot; Javier Luzon; Roberta Sessoli; Alessandro Vindigni; Julien Thion; Sébastien Richeter; Dominique Leclercq; Joulia Larionova; Arie van der Lee","The Canted Antiferromagnetic Approach to Single-Chain Magnets","Journal of the American Chemical Society","2008","130","","1619","1627","10.1021/ja0751734","","","0.71073","MoKα","","0.0738","0.0352","","0.0571","0.0393","0.0393","","","","","","1.0814","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107364","5.6073","0.0005","18.281","0.0008","7.6481","0.0006","90","","106.229","0.0015","90","","752.75","0.1","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","","Mujeeb Khan; Gunther Brunklaus; Volker Enkelmann; Hans-Wolfgang Spiess","Transient States in [2 + 2] Photodimerization of Cinnamic Acid: Correlation of Solid-State NMR and X-ray Analysis","Journal of the American Chemical Society","2008","130","","1741","1748","10.1021/ja0773711","","","0.71073","MoKα","","0.0874","0.047","","0.0528","0.0507","0.0507","","","","","","1.1385","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107365","5.6275","0.0004","18.3713","0.0006","7.6644","0.0005","90","","106.207","0.0013","90","","760.89","0.08","190","","190","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","","Mujeeb Khan; Gunther Brunklaus; Volker Enkelmann; Hans-Wolfgang Spiess","Transient States in [2 + 2] Photodimerization of Cinnamic Acid: Correlation of Solid-State NMR and X-ray Analysis","Journal of the American Chemical Society","2008","130","","1741","1748","10.1021/ja0773711","","","0.71073","MoKα","","0.0892","0.0452","","0.0488","0.0472","0.0472","","","","","","1.1489","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107366","5.6455","0.0004","18.4798","0.0006","7.6562","0.0005","90","","106.3","0.0014","90","","766.65","0.08","250","","250","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","","Mujeeb Khan; Gunther Brunklaus; Volker Enkelmann; Hans-Wolfgang Spiess","Transient States in [2 + 2] Photodimerization of Cinnamic Acid: Correlation of Solid-State NMR and X-ray Analysis","Journal of the American Chemical Society","2008","130","","1741","1748","10.1021/ja0773711","","","0.71073","MoKα","","0.0822","0.0462","","0.0424","0.041","0.041","","","","","","1.2317","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107367","5.676","0.0004","18.6088","0.0006","7.6826","0.0005","90","","106.267","0.0012","90","","778.98","0.08","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","","Mujeeb Khan; Gunther Brunklaus; Volker Enkelmann; Hans-Wolfgang Spiess","Transient States in [2 + 2] Photodimerization of Cinnamic Acid: Correlation of Solid-State NMR and X-ray Analysis","Journal of the American Chemical Society","2008","130","","1741","1748","10.1021/ja0773711","","","0.71073","MoKα","","0.1351","0.0434","","0.0824","0.0449","0.0449","","","","","","1.1641","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107368","5.7087","0.0004","18.765","0.0007","7.6914","0.0005","90","","106.287","0.0013","90","","790.87","0.08","350","","350","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","","Mujeeb Khan; Gunther Brunklaus; Volker Enkelmann; Hans-Wolfgang Spiess","Transient States in [2 + 2] Photodimerization of Cinnamic Acid: Correlation of Solid-State NMR and X-ray Analysis","Journal of the American Chemical Society","2008","130","","1741","1748","10.1021/ja0773711","","","0.71073","MoKα","","0.1175","0.0551","","0.0592","0.0511","0.0511","","","","","","1.0677","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107369","10.8535","0.0005","5.5167","0.0004","13.9943","0.0005","90","","100.41","0.0012","90","","824.12","0.08","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","1","","Mujeeb Khan; Gunther Brunklaus; Volker Enkelmann; Hans-Wolfgang Spiess","Transient States in [2 + 2] Photodimerization of Cinnamic Acid: Correlation of Solid-State NMR and X-ray Analysis","Journal of the American Chemical Society","2008","130","","1741","1748","10.1021/ja0773711","","","0.71073","MoKα","","0.098","0.0647","","0.0763","0.0733","0.0733","","","","","","1.1007","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107370","5.5993","0.0004","18.2465","0.0007","7.6646","0.0005","90","","106.362","0.0013","90","","751.36","0.08","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","","Mujeeb Khan; Gunther Brunklaus; Volker Enkelmann; Hans-Wolfgang Spiess","Transient States in [2 + 2] Photodimerization of Cinnamic Acid: Correlation of Solid-State NMR and X-ray Analysis","Journal of the American Chemical Society","2008","130","","1741","1748","10.1021/ja0773711","","","0.71073","MoKα","","0.0783","0.0461","","0.0563","0.0559","0.0559","","","","","","1.0903","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107371","19.447","0.004","16.846","0.003","18.629","0.004","90","","110.58","0.03","90","","5713","2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H49 Eu N2 O10 S2 -","- C69 H49 Eu N2 O10 S2 -","- C276 H196 Eu4 N8 O40 S8 -","4","1","","Xiao-Yan Chen; Xiaoping Yang; Bradley J. Holliday","Photoluminescent Europium-Containing Inner Sphere Conducting Metallopolymer","Journal of the American Chemical Society","2008","130","","1546","1547","10.1021/ja077626a","","","0.71073","MoKα","","0.1145","0.0487","","","0.1099","0.1401","","","","","","1.042","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107372","11.2456","0.0012","16.1839","0.0017","18.494","0.002","90","","99.2275","0.0015","90","","3322.3","0.6","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 B I N6 O Tm -","- C28 H48 B I N6 O Tm -","- C112 H192 B4 I4 N24 O4 Tm4 -","4","1","","Jianhua Cheng; Josef Takats; Michael J. Ferguson; Robert McDonald","Heteroleptic Tm(II) Complexes: One More Success for Trofimenko's Scorpionates","Journal of the American Chemical Society","2008","130","","1544","1545","10.1021/ja0776273","","","0.71073","MoKα","","0.0346","0.0292","","","0.073","0.0777","","","","","","1.059","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107373","16.787","0.002","18.042","0.002","26.963","0.004","90","","91.884","0.0018","90","","8161.9","1.8","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H66 B N6 Si2 Tm -","- C34 H66 B N6 Si2 Tm -","- C272 H528 B8 N48 Si16 Tm8 -","8","1","","Jianhua Cheng; Josef Takats; Michael J. Ferguson; Robert McDonald","Heteroleptic Tm(II) Complexes: One More Success for Trofimenko's Scorpionates","Journal of the American Chemical Society","2008","130","","1544","1545","10.1021/ja0776273","","","0.71073","MoKα","","0.0365","0.0303","","","0.0652","0.068","","","","","","1.162","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107374","14.9492","0.0009","12.2865","0.0007","20.639","0.0012","90","","97.402","0.001","90","","3759.2","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H58 B N7 Si2 Tm -","- C30 H58 B N7 Si2 Tm -","- C120 H232 B4 N28 Si8 Tm4 -","4","1","","Jianhua Cheng; Josef Takats; Michael J. Ferguson; Robert McDonald","Heteroleptic Tm(II) Complexes: One More Success for Trofimenko's Scorpionates","Journal of the American Chemical Society","2008","130","","1544","1545","10.1021/ja0776273","","","0.71073","MoKα","","0.0192","0.0169","","","0.0427","0.0441","","","","","","1.046","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107375","12.0407","0.0014","16.986","0.002","18.706","0.002","90","","90","","90","","3825.8","0.8","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H64 B2 N6 O Tm -","- C34 H64 B2 N6 O Tm -","- C136 H256 B8 N24 O4 Tm4 -","4","1","","Jianhua Cheng; Josef Takats; Michael J. Ferguson; Robert McDonald","Heteroleptic Tm(II) Complexes: One More Success for Trofimenko's Scorpionates","Journal of the American Chemical Society","2008","130","","1544","1545","10.1021/ja0776273","","","0.71073","MoKα","","0.0453","0.0351","","","0.0812","0.0878","","","","","","1.057","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107376","11.8157","0.0013","12.2451","0.0013","20.595","0.002","97.773","0.0018","96.1553","0.0017","99.5271","0.0018","2885.9","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H90 B2 N12 O Tm -","- C52 H90 B2 N12 O Tm -","- C104 H180 B4 N24 O2 Tm2 -","2","1","","Jianhua Cheng; Josef Takats; Michael J. Ferguson; Robert McDonald","Heteroleptic Tm(II) Complexes: One More Success for Trofimenko's Scorpionates","Journal of the American Chemical Society","2008","130","","1544","1545","10.1021/ja0776273","","","0.71073","MoKα","","0.0869","0.0537","","","0.1171","0.1337","","","","","","1.022","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107377","23.598","0.003","15.571","0.002","24.217","0.003","90","","91.4127","0.0018","90","","8895.7","1.9","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C82 H138 B2 N16 Tm2 -","- C76 H124 B2 N16 Tm2 -","- C304 H496 B8 N64 Tm8 -","4","1","","Jianhua Cheng; Josef Takats; Michael J. Ferguson; Robert McDonald","Heteroleptic Tm(II) Complexes: One More Success for Trofimenko's Scorpionates","Journal of the American Chemical Society","2008","130","","1544","1545","10.1021/ja0776273","","","0.71073","MoKα","","0.0657","0.0636","","","0.1586","0.1596","","","","","","1.17","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107378","6.9074","0.0014","7.8604","0.0011","9.561","0.0018","81.332","0.014","84.602","0.016","72.896","0.016","489.81","0.16","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H5 O5 Re -","- C9 H5 O5 Re -","- C18 H10 O10 Re2 -","2","1","","Liu, Yu; Spingler, Bernhard; Schmutz, Paul; Alberto, Roger","Metal-Mediated Retro Diels-Alder of Dicyclopentadiene Derivatives: A Convenient Synthesis of [(Cp-R)M(CO)3] (M = 99mTc, Re) Complexes","Journal of the American Chemical Society","2008","130","5","1554","1555","10.1021/ja077741l","","","0.7107","MoKα","","0.0191","0.0164","","","0.0382","0.0388","","","","","","1.071","","","","has coordinates","219213","2020-10-21","18:00:00",""
"4107379","9.9948","0.0011","11.9574","0.0012","12.8209","0.0013","98.31","0.012","99.288","0.012","103.772","0.012","1441.7","0.3","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 N O6 Re -","- C13 H12 N O6 Re -","- C52 H48 N4 O24 Re4 -","4","2","","Liu, Yu; Spingler, Bernhard; Schmutz, Paul; Alberto, Roger","Metal-Mediated Retro Diels-Alder of Dicyclopentadiene Derivatives: A Convenient Synthesis of [(Cp-R)M(CO)3] (M = 99mTc, Re) Complexes","Journal of the American Chemical Society","2008","130","5","1554","1555","10.1021/ja077741l","","","0.71073","MoKα","","0.0459","0.0362","","","0.1025","0.1067","","","","","","0.991","","","","has coordinates","219213","2020-10-21","18:00:00",""
"4107380","7.9757","0.0002","8.3191","0.0002","11.4545","0.0002","89.5244","0.0015","85.4836","0.0015","77.2782","0.0018","739.02","0.03","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 Cl6 O2 -","- C12 H8 Cl6 O2 -","- C24 H16 Cl12 O4 -","2","1","","Liu, Yu; Spingler, Bernhard; Schmutz, Paul; Alberto, Roger","Metal-Mediated Retro Diels-Alder of Dicyclopentadiene Derivatives: A Convenient Synthesis of [(Cp-R)M(CO)3] (M = 99mTc, Re) Complexes","Journal of the American Chemical Society","2008","130","5","1554","1555","10.1021/ja077741l","","","0.7107","MoKα","","0.0348","0.0269","","","0.0777","0.0817","","","","","","1.131","","","","has coordinates","219213","2020-10-21","18:00:00",""
"4107381","9.644","0.003","13.419","0.004","9.634","0.004","92","0.03","106.85","0.03","92.01","0.02","1191.2","0.7","298.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 B F5 N2 O4 -","- C28 H18 B F5 N2 O4 -","- C56 H36 B2 F10 N4 O8 -","2","1","","Keitaro Umezawa; Yuki Nakamura; Hiroshi Makino; Daniel Citterio; Koji Suzuki","Bright, Color-Tunable Fluorescent Dyes in the Visible-Near-Infrared Region","Journal of the American Chemical Society","2008","130","","1550","1551","10.1021/ja077756j","","","0.71073","MoKα","","","0.129","","","","0.436","","","","","","1.44","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107382","31.34","0.0007","31.34","0.0007","31.34","0.0007","90","","90","","90","","30782","1.2","100","2","100","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C6 H2.25 N0.75 Ni0.75 O3.9 -","- C6 H2.25 N0.75 Ni0.75 O3.9 -","- C384 H144 N48 Ni48 O249.6 -","64","0.666667","","Amy J. Cairns; Jason A. Perman; Lukasz Wojtas; Victor Ch. Kravtsov; Mohamed H. Alkordi; Mohamed Eddaoudi; Michael J. Zaworotko","Supermolecular Building Blocks (SBBs) and Crystal Design: 12-Connected Open Frameworks Based on a Molecular Cubohemioctahedron","Journal of the American Chemical Society","2008","130","","1560","1561","10.1021/ja078060t","","","0.71073","MoKα","","0.1575","0.1432","","","0.3462","0.3575","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107383","39.288","0.002","39.288","0.002","39.288","0.002","90","","90","","90","","60643","5","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C32.55 H13 Co1.5 N2 O23.3 -","- C32.55 H13 Co1.5 N2 O23.2933 -","- C781.2 H312 Co36 N48 O559.04 -","24","1","","Amy J. Cairns; Jason A. Perman; Lukasz Wojtas; Victor Ch. Kravtsov; Mohamed H. Alkordi; Mohamed Eddaoudi; Michael J. Zaworotko","Supermolecular Building Blocks (SBBs) and Crystal Design: 12-Connected Open Frameworks Based on a Molecular Cubohemioctahedron","Journal of the American Chemical Society","2008","130","","1560","1561","10.1021/ja078060t","","","0.71073","MoKα","","0.1627","0.1296","","","0.2902","0.3058","","","","","","1.18","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107384","9.3903","0.0006","36.41","0.002","16.0789","0.001","90","","91.323","0.001","90","","5495.9","0.6","243","2","243","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Quinazolinyl)MoP4H","","","- C20 H43 Mo N2 O0.5 P4 -","- C20 H43 Mo N2 O0.5 P4 -","- C160 H344 Mo8 N16 O4 P32 -","8","2","","Guang Zhu; Keliang Pang; Gerard Parkin","New Modes for Coordination of Aromatic Heterocyclic Nitrogen Compounds to Molybdenum: Catalytic Hydrogenation of Quinoline, Isoquinoline, and Quinoxaline by Mo(PMe3)4H4","Journal of the American Chemical Society","2008","130","","1564","1565","10.1021/ja078102d","","","0.71073","MoKα","","0.0572","0.0392","","","0.0817","0.0865","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107385","12.4605","0.0018","16.177","0.003","27.824","0.004","90","","90","","90","","5608.6","1.5","243","2","243","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H43 Mo N P4 -","- C21 H43 Mo N P4 -","- C168 H344 Mo8 N8 P32 -","8","1","","Guang Zhu; Keliang Pang; Gerard Parkin","New Modes for Coordination of Aromatic Heterocyclic Nitrogen Compounds to Molybdenum: Catalytic Hydrogenation of Quinoline, Isoquinoline, and Quinoxaline by Mo(PMe3)4H4","Journal of the American Chemical Society","2008","130","","1564","1565","10.1021/ja078102d","","","0.71073","MoKα","","0.1441","0.0607","","","0.1434","0.1744","","","","","","1.024","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107386","14.1285","0.0014","12.2475","0.0012","12.9005","0.0013","90","","94.425","0.002","90","","2225.6","0.4","243","2","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","iqmop3","","","- C18 H34 Mo N P3 -","- C18 H34 Mo N P3 -","- C72 H136 Mo4 N4 P12 -","4","1","","Guang Zhu; Keliang Pang; Gerard Parkin","New Modes for Coordination of Aromatic Heterocyclic Nitrogen Compounds to Molybdenum: Catalytic Hydrogenation of Quinoline, Isoquinoline, and Quinoxaline by Mo(PMe3)4H4","Journal of the American Chemical Society","2008","130","","1564","1565","10.1021/ja078102d","","","0.71073","MoKα","","0.0602","0.039","","","0.1498","0.1623","","","","","","1.063","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107387","17.804","0.005","15.736","0.005","30.893","0.01","90","","90","","90","","8655","5","243","2","243","2","","","","","","","","5","P b c n","-P 2n 2ab","60","qoxCMoP3","","","- C17 H33 Mo N2 P3 -","- C17 H33 Mo N2 P3 -","- C272 H528 Mo16 N32 P48 -","16","2","","Guang Zhu; Keliang Pang; Gerard Parkin","New Modes for Coordination of Aromatic Heterocyclic Nitrogen Compounds to Molybdenum: Catalytic Hydrogenation of Quinoline, Isoquinoline, and Quinoxaline by Mo(PMe3)4H4","Journal of the American Chemical Society","2008","130","","1564","1565","10.1021/ja078102d","","","0.71073","MoKα","","0.1943","0.0595","","","0.108","0.1409","","","","","","1.012","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107388","9.9124","0.001","28.104","0.003","9.9549","0.001","90","","105.144","0.002","90","","2676.9","0.5","243","2","243","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H42 Mo N2 P4 -","- C20 H42 Mo N2 P4 -","- C80 H168 Mo4 N8 P16 -","4","1","","Guang Zhu; Keliang Pang; Gerard Parkin","New Modes for Coordination of Aromatic Heterocyclic Nitrogen Compounds to Molybdenum: Catalytic Hydrogenation of Quinoline, Isoquinoline, and Quinoxaline by Mo(PMe3)4H4","Journal of the American Chemical Society","2008","130","","1564","1565","10.1021/ja078102d","","","0.71073","MoKα","","0.1068","0.09","","","0.2057","0.2118","","","","","","1.113","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107389","10.345","0.006","9.391","0.005","10.985","0.006","90","","95.973","0.008","90","","1061.4","1","243","2","243","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H34 Mo N P3 -","- C18 H34 Mo N P3 -","- C36 H68 Mo2 N2 P6 -","2","1","","Guang Zhu; Keliang Pang; Gerard Parkin","New Modes for Coordination of Aromatic Heterocyclic Nitrogen Compounds to Molybdenum: Catalytic Hydrogenation of Quinoline, Isoquinoline, and Quinoxaline by Mo(PMe3)4H4","Journal of the American Chemical Society","2008","130","","1564","1565","10.1021/ja078102d","","","0.71073","MoKα","","0.0904","0.0869","","","0.2401","0.2437","","","","","","1.095","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107390","17.9472","0.0012","13.4906","0.0009","18.049","0.0012","90","","97.63","0.002","90","","4331.3","0.5","243","2","243","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","qoxMoP3","","","- C17 H33 Mo N2 P3 -","- C17 H33 Mo N2 P3 -","- C136 H264 Mo8 N16 P24 -","8","2","","Guang Zhu; Keliang Pang; Gerard Parkin","New Modes for Coordination of Aromatic Heterocyclic Nitrogen Compounds to Molybdenum: Catalytic Hydrogenation of Quinoline, Isoquinoline, and Quinoxaline by Mo(PMe3)4H4","Journal of the American Chemical Society","2008","130","","1564","1565","10.1021/ja078102d","","","0.71073","MoKα","","0.0461","0.038","","","0.2099","0.2225","","","","","","1.169","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107391","5.9705","0.0018","12.7","0.004","15.989","0.005","111.141","0.005","100.421","0.005","94.74","0.005","1097.6","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H28 N2 O7 -","- C23 H28 N2 O7 -","- C46 H56 N4 O14 -","2","1","","Matthew B. Boxer; Matsujiro Akakura; Hisashi Yamamoto","Ketone Super Silyl Enol Ethers in Sequential Reactions: Diastereoselective Generation of Tertiary Carbinols in One Pot","Journal of the American Chemical Society","2008","130","","1580","1582","10.1021/ja7102586","","","0.71073","MoKα","","0.085","0.0762","","","0.2379","0.2418","","","","","","1.155","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107392","12.966","0.004","7.848","0.002","24.942","0.005","90","","114.475","0.012","90","","2310","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O7.25 -","- C25 H24 N2 O7.196 -","- C100 H96 N8 O28.784 -","4","1","","Matthew B. Boxer; Matsujiro Akakura; Hisashi Yamamoto","Ketone Super Silyl Enol Ethers in Sequential Reactions: Diastereoselective Generation of Tertiary Carbinols in One Pot","Journal of the American Chemical Society","2008","130","","1580","1582","10.1021/ja7102586","","","0.71073","MoKα","","0.0695","0.0527","","","0.1317","0.1397","","","","","","1.025","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107393","9.079","0.005","16.098","0.009","20.702","0.012","90","","90","","90","","3026","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 F O2 -","- C18 H21 F O2 -","- C144 H168 F8 O16 -","8","1","","Matthew B. Boxer; Matsujiro Akakura; Hisashi Yamamoto","Ketone Super Silyl Enol Ethers in Sequential Reactions: Diastereoselective Generation of Tertiary Carbinols in One Pot","Journal of the American Chemical Society","2008","130","","1580","1582","10.1021/ja7102586","","","0.71073","MoKα","","0.1073","0.0665","","","0.1403","0.157","","","","","","1.038","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107394","27.91","0.01","13.839","0.006","44.93","0.02","90","","90","","90","","17354","12","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64.4 H46 I6 N14.4 O2.8 Zn3 -","- C64.4 H46 I6 N14.4 O2.8 Zn3 -","- C515.2 H368 I48 N115.2 O22.4 Zn24 -","8","1","","Tsuyoshi Haneda; Masaki Kawano; Takehide Kawamichi; Makoto Fujita","Direct Observation of the Labile Imine Formation through Single-Crystal-to-Single-Crystal Reactions in the Pores of a Porous Coordination Network","Journal of the American Chemical Society","2008","130","","1578","1579","10.1021/ja7111564","","","0.71073","MoKα","","0.1333","0.0747","","","0.2234","0.2689","","","","","","1.064","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107395","28.4","0.01","13.872","0.006","44.18","0.02","90","","90","","90","","17405","13","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64.2 H47 I6 N13 O0.7 Zn3 -","- C64.2 H47 I6 N13 O0.7 Zn3 -","- C513.6 H376 I48 N104 O5.6 Zn24 -","8","1","","Tsuyoshi Haneda; Masaki Kawano; Takehide Kawamichi; Makoto Fujita","Direct Observation of the Labile Imine Formation through Single-Crystal-to-Single-Crystal Reactions in the Pores of a Porous Coordination Network","Journal of the American Chemical Society","2008","130","","1578","1579","10.1021/ja7111564","","","0.71073","MoKα","","0.0915","0.0573","","","0.1679","0.1896","","","","","","1.11","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107396","28.14","0.01","14.022","0.005","44.48","0.02","90","","90","","90","","17551","12","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57.2 H42.2 I6 N13 O Zn3 -","- C57.2 H42.2 I6 N13 O Zn3 -","- C457.6 H337.6 I48 N104 O8 Zn24 -","8","1","","Tsuyoshi Haneda; Masaki Kawano; Takehide Kawamichi; Makoto Fujita","Direct Observation of the Labile Imine Formation through Single-Crystal-to-Single-Crystal Reactions in the Pores of a Porous Coordination Network","Journal of the American Chemical Society","2008","130","","1578","1579","10.1021/ja7111564","","","0.71073","MoKα","","0.1724","0.0895","","","0.2529","0.3058","","","","","","1.08","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107397","28.28","0.003","14.012","0.002","44.907","0.005","90","","90","","90","","17795","4","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H48 I6 N13 O2.5 Zn3 -","- C66 H48 I6 N13 O2.5 Zn3 -","- C528 H384 I48 N104 O20 Zn24 -","8","1","","Tsuyoshi Haneda; Masaki Kawano; Takehide Kawamichi; Makoto Fujita","Direct Observation of the Labile Imine Formation through Single-Crystal-to-Single-Crystal Reactions in the Pores of a Porous Coordination Network","Journal of the American Chemical Society","2008","130","","1578","1579","10.1021/ja7111564","","","0.71073","MoKα","","0.1151","0.0691","","","0.2101","0.2398","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107398","23.1","0.02","12.32","0.01","12.78","0.01","90","","92.03","0.01","90","","3635","5","299","","","","","","","","","","Local laboratory","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H36 N2 O7 Pd -","- C36 H36 N2 O7 Pd -","- C144 H144 N8 O28 Pd4 -","4","0.5","","Raivis Zalubovskis; Alexis Bouet; Ester Fjellander; Samuel Constant; David Linder; Andreas Fischer; Jérôme Lacour; Timofei Privalov; Christina Moberg","Self-Adaptable Catalysts: Substrate-Dependent Ligand Configuration","Journal of the American Chemical Society","2008","130","","1845","1855","10.1021/ja074044k","","","0.71073","MoKα","","0.1368","0.0755","","","0.1632","0.1939","","","","","","1.101","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107399","8.36","0.0014","12.466","0.005","30.729","0.012","90","","90","","90","","3202.4","1.9","299","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H30 N2 O3 Pd -","- C34 H30 N2 O3 Pd -","- C136 H120 N8 O12 Pd4 -","4","1","","Raivis Zalubovskis; Alexis Bouet; Ester Fjellander; Samuel Constant; David Linder; Andreas Fischer; Jérôme Lacour; Timofei Privalov; Christina Moberg","Self-Adaptable Catalysts: Substrate-Dependent Ligand Configuration","Journal of the American Chemical Society","2008","130","","1845","1855","10.1021/ja074044k","","","0.71073","MoKα","","0.1761","0.1225","","","0.2677","0.2966","","","","","","1.18","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107400","27.1559","0.0012","15.5424","0.0007","21.7182","0.0016","90","","123.467","0.002","90","","7646.8","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","DL226","","","- H66 Na7 O92 Sb W18 -","- Na7 O91.56 Sb W18 -","- Na28 O366.24 Sb4 W72 -","4","0.5","","De-Liang Long; Carsten Streb; Yu-Fei Song; Scott Mitchell; Leroy Cronin","Unravelling the Complexities of Polyoxometalates in Solution Using Mass Spectrometry: Protonation versus Heteroatom Inclusion","Journal of the American Chemical Society","2008","130","","1830","1832","10.1021/ja075940z","","","0.71073","MoKα","","0.0517","0.0362","","","0.0822","0.088","","","","","","1.079","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107401","31.239","0.003","15.9238","0.0017","33.43","0.004","90","","102.469","0.002","90","","16237","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H230 N9 O62 P W18 -","- C91.8 H172.1 N8.5 O62 P W18 -","- C367.2 H688.4 N34 O248 P4 W72 -","4","1","","De-Liang Long; Carsten Streb; Yu-Fei Song; Scott Mitchell; Leroy Cronin","Unravelling the Complexities of Polyoxometalates in Solution Using Mass Spectrometry: Protonation versus Heteroatom Inclusion","Journal of the American Chemical Society","2008","130","","1830","1832","10.1021/ja075940z","","","0.71073","MoKα","","0.0735","0.0444","","","0.0968","0.1106","","","","","","1.053","","","","has coordinates,has disorder","178820","2020-10-21","18:00:00",""
"4107402","26.78","0.004","15.516","0.002","19.956","0.003","90","","90","","90","","8292","2","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C102 H225 N9 O62 P2 W18 -","- C90.2 H124.4 N9 O62 P2 W18 -","- C180.4 H248.8 N18 O124 P4 W36 -","2","0.5","","De-Liang Long; Carsten Streb; Yu-Fei Song; Scott Mitchell; Leroy Cronin","Unravelling the Complexities of Polyoxometalates in Solution Using Mass Spectrometry: Protonation versus Heteroatom Inclusion","Journal of the American Chemical Society","2008","130","","1830","1832","10.1021/ja075940z","","","0.71073","MoKα","","0.0524","0.0416","","","0.1054","0.1143","","","","","","1.06","","","","has coordinates,has disorder","178820","2020-10-21","18:00:00",""
"4107403","12.655","0.003","10.451","0.003","13.937","0.003","90","","95.035","0.005","90","","1836.2","0.8","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H32 Br4 N4 Na O12 -","- C32 H32 Br4 N4 Na O12 -","- C64 H64 Br8 N8 Na2 O24 -","2","1","","Sergiy V. Rosokha; Marshall D. Newton; Almaz S. Jalilov; Jay K. Kochi","The Spectral Elucidation versus the X-ray Structure of the Critical Precursor Complex in Bimolecular Electron Transfers: Application of Experimental/Theoretical Solvent Probes to Ion-Radical (Redox) Dyads","Journal of the American Chemical Society","2008","130","","1944","1952","10.1021/ja076591b","","","0.71073","MoKα","","0.1198","0.0641","","","0.1206","0.144","","","","","","0.984","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107404","16.395","0.008","6.057","0.002","18.058","0.009","90","","90","","90","","1793.2","1.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 Br2 N2 O2 -","- C8 Br2 N2 O2 -","- C64 Br16 N16 O16 -","8","1","","Sergiy V. Rosokha; Marshall D. Newton; Almaz S. Jalilov; Jay K. Kochi","The Spectral Elucidation versus the X-ray Structure of the Critical Precursor Complex in Bimolecular Electron Transfers: Application of Experimental/Theoretical Solvent Probes to Ion-Radical (Redox) Dyads","Journal of the American Chemical Society","2008","130","","1944","1952","10.1021/ja076591b","","","0.71073","MoKα","","0.1399","0.053","","","0.0638","0.0809","","","","","","0.953","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107405","11.429","0.002","16.066","0.003","16.214","0.003","90","","106.861","0.003","90","","2849.2","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Br2 N2 Na O10 -","- C24 H32 Br2 N2 Na O10 -","- C96 H128 Br8 N8 Na4 O40 -","4","0.5","","Sergiy V. Rosokha; Marshall D. Newton; Almaz S. Jalilov; Jay K. Kochi","The Spectral Elucidation versus the X-ray Structure of the Critical Precursor Complex in Bimolecular Electron Transfers: Application of Experimental/Theoretical Solvent Probes to Ion-Radical (Redox) Dyads","Journal of the American Chemical Society","2008","130","","1944","1952","10.1021/ja076591b","","","0.71073","MoKα","","0.1041","0.0551","","","0.1443","0.173","","","","","","1.046","","","","has coordinates,has disorder","178820","2020-10-21","18:00:00",""
"4107406","19.495","0.004","6.6031","0.0013","13.671","0.003","90","","100.01","0.03","90","","1733","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl N O2 -","- C20 H22 Cl N O2 -","- C80 H88 Cl4 N4 O8 -","4","1","","Sarah E. Reisman; Joseph M. Ready; Matthew M. Weiss; Atsushi Hasuoka; Makoto Hirata; Kazuhiko Tamaki; Timo V. Ovaska; Catherine J. Smith; John L. Wood","Evolution of a Synthetic Strategy: Total Synthesis of (\±)-Welwitindolinone A Isonitrile","Journal of the American Chemical Society","2008","130","","2087","2100","10.1021/ja076663z","","","0.71073","MoKα","","0.159","0.0773","","","0.1809","0.2199","","","","","","1.103","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107407","6.6274","0.0013","8.4935","0.0017","30.477","0.006","90","","92.37","0.03","90","","1714.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O3 S2 -","- C19 H19 N O3 S2 -","- C76 H76 N4 O12 S8 -","4","1","","Sarah E. Reisman; Joseph M. Ready; Matthew M. Weiss; Atsushi Hasuoka; Makoto Hirata; Kazuhiko Tamaki; Timo V. Ovaska; Catherine J. Smith; John L. Wood","Evolution of a Synthetic Strategy: Total Synthesis of (\±)-Welwitindolinone A Isonitrile","Journal of the American Chemical Society","2008","130","","2087","2100","10.1021/ja076663z","","","0.71073","MoKα","","0.132","0.087","","","0.2031","0.2233","","","","","","1.096","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107408","7.3072","0.0015","9.769","0.002","11.803","0.002","82.88","0.03","84.75","0.03","84.9","0.03","830","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N O2 S2 -","- C19 H19 N O2 S2 -","- C38 H38 N2 O4 S4 -","2","1","","Sarah E. Reisman; Joseph M. Ready; Matthew M. Weiss; Atsushi Hasuoka; Makoto Hirata; Kazuhiko Tamaki; Timo V. Ovaska; Catherine J. Smith; John L. Wood","Evolution of a Synthetic Strategy: Total Synthesis of (\±)-Welwitindolinone A Isonitrile","Journal of the American Chemical Society","2008","130","","2087","2100","10.1021/ja076663z","","","0.71073","MoKα","","0.0515","0.0387","","","0.1257","0.1347","","","","","","1.006","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107409","12.042","0.002","7.0724","0.0014","25.747","0.005","90","","90.04","0.03","90","","2192.8","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Cl3 D2 N O3 -","- C20 H22 Cl N O3 -","- C80 H88 Cl4 N4 O12 -","4","1","","Sarah E. Reisman; Joseph M. Ready; Matthew M. Weiss; Atsushi Hasuoka; Makoto Hirata; Kazuhiko Tamaki; Timo V. Ovaska; Catherine J. Smith; John L. Wood","Evolution of a Synthetic Strategy: Total Synthesis of (\±)-Welwitindolinone A Isonitrile","Journal of the American Chemical Society","2008","130","","2087","2100","10.1021/ja076663z","","","0.71073","MoKα","","0.0824","0.0533","","","0.1409","0.1504","","","","","","1.009","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107410","10.625","0.002","11.705","0.002","12.203","0.002","80.13","0.03","68.04","0.03","84.11","0.03","1385.5","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cl7 D2 N O4 -","- C22 H28 Cl7 N O4 -","- C44 H56 Cl14 N2 O8 -","2","1","","Sarah E. Reisman; Joseph M. Ready; Matthew M. Weiss; Atsushi Hasuoka; Makoto Hirata; Kazuhiko Tamaki; Timo V. Ovaska; Catherine J. Smith; John L. Wood","Evolution of a Synthetic Strategy: Total Synthesis of (\±)-Welwitindolinone A Isonitrile","Journal of the American Chemical Society","2008","130","","2087","2100","10.1021/ja076663z","","","0.71073","MoKα","","0.0712","0.0467","","","0.1356","0.1517","","","","","","1.002","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107411","8.3743","0.0017","13.782","0.003","16.23","0.003","75.13","0.03","76.11","0.03","86.95","0.03","1757.4","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cl N O2 -","- C20 H22 Cl N O2 -","- C80 H88 Cl4 N4 O8 -","4","2","","Sarah E. Reisman; Joseph M. Ready; Matthew M. Weiss; Atsushi Hasuoka; Makoto Hirata; Kazuhiko Tamaki; Timo V. Ovaska; Catherine J. Smith; John L. Wood","Evolution of a Synthetic Strategy: Total Synthesis of (\±)-Welwitindolinone A Isonitrile","Journal of the American Chemical Society","2008","130","","2087","2100","10.1021/ja076663z","","","0.71073","MoKα","","0.1538","0.0606","","","0.1075","0.1286","","","","","","1.008","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107412","17.803","0.003","14.124","0.002","24.465","0.004","90","","104.57","0.003","90","","5953.9","1.6","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 Cl2 N4 O4 U2 -","- C58 H82 Cl2 N4 O4 U2 -","- C232 H328 Cl8 N16 O16 U8 -","4","1","","Trevor W. Hayton; Guang Wu","Synthesis, Characterization, and Reactivity of a Uranyl β-Diketiminate Complex","Journal of the American Chemical Society","2008","130","","2005","2014","10.1021/ja077538q","","","0.71073","MoKα","","0.1216","0.0526","","","0.1107","0.1473","","","","","","0.884","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107413","17.775","0.004","12.932","0.003","19.438","0.005","90","","112.366","0.004","90","","4132","1.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H61 Cl2 Li N2 O4 U -","- C37 H41 Cl2 Li N2 O4 U -","- C148 H164 Cl8 Li4 N8 O16 U4 -","4","1","","Trevor W. Hayton; Guang Wu","Synthesis, Characterization, and Reactivity of a Uranyl β-Diketiminate Complex","Journal of the American Chemical Society","2008","130","","2005","2014","10.1021/ja077538q","","","0.71073","MoKα","","0.1135","0.054","","","0.1249","0.1475","","","","","","0.916","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107414","23.37","0.003","9.6101","0.0012","25.184","0.003","90","","115.539","0.003","90","","5103.4","1.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H69 Cl N2 O3 P U -","- C53 H69 Cl N2 O3 P U -","- C212 H276 Cl4 N8 O12 P4 U4 -","4","1","","Trevor W. Hayton; Guang Wu","Synthesis, Characterization, and Reactivity of a Uranyl β-Diketiminate Complex","Journal of the American Chemical Society","2008","130","","2005","2014","10.1021/ja077538q","","","0.71073","MoKα","","0.1763","0.0824","","","0.1663","0.2121","","","","","","0.995","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107415","33.114","0.005","20.457","0.003","20.698","0.003","90","","90","","90","","14021","4","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C75 H93 F3 N2 O7 P2 S U -","- C69 H63 F3 N2 O7 P2 S U -","- C552 H504 F24 N16 O56 P16 S8 U8 -","8","1","","Trevor W. Hayton; Guang Wu","Synthesis, Characterization, and Reactivity of a Uranyl β-Diketiminate Complex","Journal of the American Chemical Society","2008","130","","2005","2014","10.1021/ja077538q","","","0.71073","MoKα","","0.1521","0.0586","","","0.132","0.148","","","","","","0.891","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107416","13.076","0.002","13.66","0.002","17.378","0.003","100.768","0.002","107.258","0.002","90.241","0.002","2906.2","0.8","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C59.5 H71 F3 N2 O7 P2 S U -","- C59.5 H70.5 F3 N2 O7 P2 S U -","- C119 H141 F6 N4 O14 P4 S2 U2 -","2","1","","Trevor W. Hayton; Guang Wu","Synthesis, Characterization, and Reactivity of a Uranyl β-Diketiminate Complex","Journal of the American Chemical Society","2008","130","","2005","2014","10.1021/ja077538q","","","0.71073","MoKα","","0.0847","0.0552","","","0.1202","0.1347","","","","","","0.936","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107417","20.737","0.004","10.882","0.002","14.34","0.003","109.824","0.003","106.438","0.003","90.834","0.003","2897.8","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58.5 H71 N2 O4 P2 U -","- C58.5 H71 N2 O4 P2 U -","- C117 H142 N4 O8 P4 U2 -","2","1","","Trevor W. Hayton; Guang Wu","Synthesis, Characterization, and Reactivity of a Uranyl β-Diketiminate Complex","Journal of the American Chemical Society","2008","130","","2005","2014","10.1021/ja077538q","","","0.71073","MoKα","","0.0756","0.0472","","","0.1113","0.1169","","","","","","0.922","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107418","10.5501","0.0004","32.0848","0.0016","12.7865","0.0006","90","","104.112","0.004","90","","4197.6","0.3","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(TPP)GaOTf","","","- C52 H36 F3 Ga N4 O3 S -","- C52 H36 F3 Ga N4 O3 S -","- C208 H144 F12 Ga4 N16 O12 S4 -","4","1","","Antonio G. DiPasquale; James M. Mayer","Hydrogen Peroxide: A Poor Ligand to Gallium Tetraphenylporphyrin","Journal of the American Chemical Society","2008","130","","1812","1813","10.1021/ja077598w","","","0.71073","MoKα","","0.2125","0.0561","","","0.0921","0.1297","","","","","","0.855","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107419","10.2941","0.0003","8.0385","0.0003","21.5792","0.0007","90","","98.2436","0.0019","90","","1767.21","0.1","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(TPP)GaOH2","","","- C44 H32 Cl Ga N4 O6 -","- C44 H32 Cl Ga N4 O6.02 -","- C88 H64 Cl2 Ga2 N8 O12.04 -","2","0.5","","Antonio G. DiPasquale; James M. Mayer","Hydrogen Peroxide: A Poor Ligand to Gallium Tetraphenylporphyrin","Journal of the American Chemical Society","2008","130","","1812","1813","10.1021/ja077598w","","","0.71073","MoKα","","0.114","0.0595","","","0.1486","0.1709","","","","","","0.993","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107420","13.344","0.005","13.344","0.005","9.651","0.004","90","","90","","90","","1718.5","1.2","130","2","130","2","","","","","","","","5","I 4/m","-I 4","87","(TPP)GaOH","(TPP)GaOH","","- C44 H29 Ga N4 O -","- C44 H29.04 Ga N4 O -","- C88 H58.08 Ga2 N8 O2 -","2","0.125","","Antonio G. DiPasquale; James M. Mayer","Hydrogen Peroxide: A Poor Ligand to Gallium Tetraphenylporphyrin","Journal of the American Chemical Society","2008","130","","1812","1813","10.1021/ja077598w","","","0.71069","MoKα","","0.0854","0.0638","","","0.1389","0.1467","","","","","","1.134","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107421","13.536","0.002","13.536","0.002","9.6581","0.0017","90","","90","","90","","1769.6","0.5","130","2","130","2","","","","","","","","4","I 4/m","-I 4","87","(TPP)GaCH3","","","- C45 H31 Ga N4 -","- C45 H31.12 Ga N4 -","- C90 H62.24 Ga2 N8 -","2","0.125","","Antonio G. DiPasquale; James M. Mayer","Hydrogen Peroxide: A Poor Ligand to Gallium Tetraphenylporphyrin","Journal of the American Chemical Society","2008","130","","1812","1813","10.1021/ja077598w","","","0.71073","MoKα","","0.1143","0.0619","","","0.128","0.1458","","","","","","1.001","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107422","13.7287","0.0005","14.0318","0.0006","15.9173","0.0005","90","","113.86","0.002","90","","2804.23","0.19","100","","100","","","","","","","","toluene","3","P 1 21/n 1","-P 2yn","14","","tetraphenyl-cyclobutadiene-pentamethyl-cyclopentadienyl-iron","","- C38 H35 Fe -","- C38 H35 Fe -","- C152 H140 Fe4 -","4","1","","Alois Fürstner; Keisuke Majima; Rubén Martín; Helga Krause; Egmont Kattnig; Richard Goddard; Christian W. Lehmann","A Cheap Metal for a ""Noble"" Task: Preparative and Mechanistic Aspects of Cycloisomerization and Cycloaddition Reactions Catalyzed by Low-Valent Iron Complexes","Journal of the American Chemical Society","2008","130","","1992","2004","10.1021/ja0777180","","","0.71073","MoKα","","0.1127","0.0562","","","0.1026","0.123","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107423","8.103","0.0002","9.4613","0.0002","11.1671","0.0002","94.945","0.001","98.755","0.001","107.135","0.001","800.77","0.03","100","","100","","","","","","","","tetrahydrofuran","5","P -1","-P 1","2","","tetramethyl-ethylenediamine-lithium-bis-ethylene-cyclopentadienyl-iron","","- C15 H29 Fe Li N2 -","- C15 H29 Fe Li N2 -","- C30 H58 Fe2 Li2 N4 -","2","1","","Alois Fürstner; Keisuke Majima; Rubén Martín; Helga Krause; Egmont Kattnig; Richard Goddard; Christian W. Lehmann","A Cheap Metal for a ""Noble"" Task: Preparative and Mechanistic Aspects of Cycloisomerization and Cycloaddition Reactions Catalyzed by Low-Valent Iron Complexes","Journal of the American Chemical Society","2008","130","","1992","2004","10.1021/ja0777180","","","0.71073","MoKα","","0.0401","0.0356","","","0.0897","0.0927","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107424","18.9769","0.0003","24.381","0.0003","15.8073","0.0002","90","","118.19","","90","","6446.15","0.15","100","","100","","","","","","","","toluene","5","C 1 c 1","C -2yc","9","","dimethyloxyethylene-lithium-cyclooctadiene-cyclopentadienyl-ferrate","","- C17 H27 Fe Li O2 -","- C17 H27 Fe Li O2 -","- C272 H432 Fe16 Li16 O32 -","16","4","","Alois Fürstner; Keisuke Majima; Rubén Martín; Helga Krause; Egmont Kattnig; Richard Goddard; Christian W. Lehmann","A Cheap Metal for a ""Noble"" Task: Preparative and Mechanistic Aspects of Cycloisomerization and Cycloaddition Reactions Catalyzed by Low-Valent Iron Complexes","Journal of the American Chemical Society","2008","130","","1992","2004","10.1021/ja0777180","","","0.71073","MoKα","","0.0545","0.0431","","","0.1086","0.1158","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107425","8.3738","0.0002","12.9293","0.0002","18.653","0.0004","90","","96.274","0.001","90","","2007.42","0.07","100","","100","","","","","","","","toluene","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O2 S -","- C24 H27 N O2 S -","- C96 H108 N4 O8 S4 -","4","1","","Alois Fürstner; Keisuke Majima; Rubén Martín; Helga Krause; Egmont Kattnig; Richard Goddard; Christian W. Lehmann","A Cheap Metal for a ""Noble"" Task: Preparative and Mechanistic Aspects of Cycloisomerization and Cycloaddition Reactions Catalyzed by Low-Valent Iron Complexes","Journal of the American Chemical Society","2008","130","","1992","2004","10.1021/ja0777180","","","0.71073","MoKα","","0.0757","0.0461","","","0.122","0.1514","","","","","","1.113","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107426","44.358","0.008","44.358","0.008","44.358","0.008","90","","90","","90","","87280","3","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C4.5 H1.5 Cu N2.16667 O6.571667 -","- C4.5 H1.5 Cu N2.16667 O6.57167 -","- C864 H288 Cu192 N416 O1261.76 -","192","1","","Farid Nouar; Jarrod F. Eubank; Till Bousquet; Lukasz Wojtas; Michael J. Zaworotko; Mohamed Eddaoudi","Supermolecular Building Blocks (SBBs) for the Design and Synthesis of Highly Porous Metal-Organic Frameworks","Journal of the American Chemical Society","2008","130","","1833","1835","10.1021/ja710123s","","","0.71073","MoKα","","0.1085","0.0787","","","0.1781","0.1933","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107427","8.41004","0.00015","10.48964","0.00019","9.3145","0.00017","90","","107.815","0.0008","90","","782.31","0.02","296.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H20 Br N O3 -","- C15 H20 Br N O3 -","- C30 H40 Br2 N2 O6 -","2","1","","Yushi Futamura; Ryuichi Sawa; Yoji Umezawa; Masayuki Igarashi; Hikaru Nakamura; Kimiko Hasegawa; Mikio Yamasaki; Etsu Tashiro; Yoshikazu Takahashi; Yuzuru Akamatsu; Masaya Imoto","Discovery of Incednine as a Potent Modulator of the Anti-apoptotic Function of Bcl-xL from Microbial Origin","Journal of the American Chemical Society","2008","130","","1822","1823","10.1021/ja710124p","","","1.54187","CuKα","","","0.0362","","","","0.1076","","","","","","1.205","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107428","17.467","0.008","19.302","0.009","20.928","0.009","90","","90.49","0.02","90","","7056","6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C69 H70 N8 O12 -","- C69 H70 N8 O12 -","- C276 H280 N32 O48 -","4","1","","Mónica Alvarez-Pérez; Stephen M. Goldup; David A. Leigh; Alexandra M. Z. Slawin","A Chemically-Driven Molecular Information Ratchet","Journal of the American Chemical Society","2008","130","","1836","1838","10.1021/ja7102394","","","1.54178","CuKα","","0.1905","0.1633","","","0.4264","0.4514","","","","","","1.61","","","","has coordinates,has disorder","178820","2020-10-21","18:00:00",""
"4107429","28.02","0.0012","10.6337","0.0003","10.9221","0.0004","90","","100.33","0.003","90","","3201.6","0.2","110.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H28 N6 -","- C42 H28 N6 -","- C168 H112 N24 -","4","0.5","","Fu She Han; Masayoshi Higuchi; Dirk G. Kurth","Metallosupramolecular Polyelectrolytes Self-Assembled from Various Pyridine Ring-Substituted Bisterpyridines and Metal Ions: Photophysical, Electrochemical, and Electrochromic Properties","Journal of the American Chemical Society","2008","130","","2073","2081","10.1021/ja710380a","","","1.54187","CuKα","","","0.0445","","","","0.1404","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107430","7.775","0.0008","5.3753","0.0006","12.1491","0.0013","90","","102.836","0.002","90","","495.06","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H15 N3 O5 -","- C7 H15 N3 O5 -","- C14 H30 N6 O10 -","2","1","","Manish A. Mehta; Matthew T. Eddy; Seth A. McNeill; Frank D. Mills; Joanna R. Long","Determination of Peptide Backbone Torsion Angles Using Double-Quantum Dipolar Recoupling Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2008","130","","2202","2212","10.1021/ja074244w","","","0.71073","MoKα","","0.0265","0.0262","","","0.0731","0.0735","","","","","","1.079","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107431","16.2291","0.0004","9.3934","0.0002","16.6087","0.0004","90","","99.51","0.001","90","","2497.14","0.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 Cl2 N O Ru S -","- C25 H31 Cl2 N O Ru S -","- C100 H124 Cl8 N4 O4 Ru4 S4 -","4","1","","Georgios C. Vougioukalakis; Robert H. Grubbs","Synthesis and Activity of Ruthenium Olefin Metathesis Catalysts Coordinated with Thiazol-2-ylidene Ligands","Journal of the American Chemical Society","2008","130","","2234","2245","10.1021/ja075849v","","","0.71073","MoKα","","0.0486","0.0334","","","0.0666","0.069","","","","","","1.261","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4107432","12.5506","0.0004","15.6147","0.0004","14.3088","0.0004","90","","109.005","0.001","90","","2651.3","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 Cl2 N O Ru S -","- C27 H32 Cl2 N O Ru S -","- C108 H128 Cl8 N4 O4 Ru4 S4 -","4","1","","Georgios C. Vougioukalakis; Robert H. Grubbs","Synthesis and Activity of Ruthenium Olefin Metathesis Catalysts Coordinated with Thiazol-2-ylidene Ligands","Journal of the American Chemical Society","2008","130","","2234","2245","10.1021/ja075849v","","","0.71073","MoKα","","0.0563","0.035","","","0.0674","0.0706","","","","","","1.217","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4107433","9.7492","0.0003","11.2812","0.0004","20.1232","0.0006","90","","90","","90","","2213.2","0.12","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 Cl2 N O Ru S -","- C22 H25 Cl2 N O Ru S -","- C88 H100 Cl8 N4 O4 Ru4 S4 -","4","1","","Georgios C. Vougioukalakis; Robert H. Grubbs","Synthesis and Activity of Ruthenium Olefin Metathesis Catalysts Coordinated with Thiazol-2-ylidene Ligands","Journal of the American Chemical Society","2008","130","","2234","2245","10.1021/ja075849v","","","0.71073","MoKα","","0.0668","0.0426","","","0.0669","0.0707","","","","","","1.079","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4107434","8.6637","0.0003","23.158","0.0007","10.7183","0.0003","90","","99.631","0.001","90","","2120.15","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Cl2 N O Ru S -","- C21 H23 Cl2 N O Ru S -","- C84 H92 Cl8 N4 O4 Ru4 S4 -","4","1","","Georgios C. Vougioukalakis; Robert H. Grubbs","Synthesis and Activity of Ruthenium Olefin Metathesis Catalysts Coordinated with Thiazol-2-ylidene Ligands","Journal of the American Chemical Society","2008","130","","2234","2245","10.1021/ja075849v","","","0.71073","MoKα","","0.0685","0.0432","","","0.0799","0.0836","","","","","","1.278","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4107435","12.299","0.002","16.117","0.003","16.873","0.003","97.363","0.003","101.48","0.003","112.119","0.002","2959.5","0.9","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C62.5 H76 N2 Si2 Ti2 -","- C62.5 H76 N2 Si2 Ti2 -","- C125 H152 N4 Si4 Ti4 -","2","1","","Neng Guo; Charlotte L. Stern; Tobin J. Marks","Bimetallic Effects in Homopolymerization of Styrene and Copolymerization of Ethylene and Styrenic Comonomers: Scope, Kinetics, and Mechanism","Journal of the American Chemical Society","2008","130","","2246","2261","10.1021/ja076407m","","","0.71073","MoKα","","0.0746","0.0655","","","0.1894","0.2005","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107436","18.9363","0.0001","19.191","0.0002","14.5019","0.0002","90","","102.587","0.0004","90","","5143.43","0.09","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H84 N2 O4 Zr -","- C51 H84 N2 O4 Zr -","- C204 H336 N8 O16 Zr4 -","4","1","","Shimrit Gendler; Ayellet L. Zelikoff; Jacob Kopilov; Israel Goldberg; Moshe Kol","Titanium and Zirconium Complexes of Robust Salophan Ligands. Coordination Chemistry and Olefin Polymerization Catalysis","Journal of the American Chemical Society","2008","130","","2144","2145","10.1021/ja077998j","","","0.71073","MoKα","","0.0559","0.042","","","0.1055","0.1145","","","","","","1.031","","","","has coordinates,has disorder","178820","2020-10-21","18:00:00",""
"4107437","10.8402","0.0002","29.5584","0.0005","15.483","0.0003","90","","100.674","0.0008","90","","4875.2","0.15","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H70 Cl2 N2 O4 Zr -","- C46 H70 Cl2 N2 O4 Zr -","- C184 H280 Cl8 N8 O16 Zr4 -","4","1","","Shimrit Gendler; Ayellet L. Zelikoff; Jacob Kopilov; Israel Goldberg; Moshe Kol","Titanium and Zirconium Complexes of Robust Salophan Ligands. Coordination Chemistry and Olefin Polymerization Catalysis","Journal of the American Chemical Society","2008","130","","2144","2145","10.1021/ja077998j","","","0.71073","MoKα","","0.0922","0.0565","","","0.1389","0.1577","","","","","","1.047","","","","has coordinates,has disorder","178820","2020-10-21","18:00:00",""
"4107438","15.798","0.005","15.555","0.005","28.662","0.005","90","","104.676","0.005","90","","6814","3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H86 N O19 V6 -","- C58 H84 N O19 V6 -","- C232 H336 N4 O76 V24 -","4","1","","Christophe Aronica; Guillaume Chastanet; Ekaterina Zueva; Serguei A. Borshch; Juan M. Clemente-Juan; Dominique Luneau","A Mixed-Valence Polyoxovanadate(III,IV) Cluster with a Calixarene Cap Exhibiting Ferromagnetic V(III)-V(IV) Interactions","Journal of the American Chemical Society","2008","130","","2365","2371","10.1021/ja078030q","","","0.71069","MoKα","","0.1596","0.0575","","0.1208","0.0664","0.0664","","","","","","1.143","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107439","28.815","0.005","15.726","0.005","15.904","0.005","90","","104.809","0.005","90","","6967","3","293","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C61 H100 N O19 V6 -","- C61 H99 N O19 V6 -","- C244 H396 N4 O76 V24 -","4","0.5","","Christophe Aronica; Guillaume Chastanet; Ekaterina Zueva; Serguei A. Borshch; Juan M. Clemente-Juan; Dominique Luneau","A Mixed-Valence Polyoxovanadate(III,IV) Cluster with a Calixarene Cap Exhibiting Ferromagnetic V(III)-V(IV) Interactions","Journal of the American Chemical Society","2008","130","","2365","2371","10.1021/ja078030q","","","0.71069","MoKα","","0.1385","0.055","","0.1016","0.0647","0.0647","","","","","","1.2611","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107440","28.805","0.005","15.638","0.005","15.833","0.005","90","","104.546","0.005","90","","6903","3","293","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C59 H96 N O19 V6 -","- C59 H95 N O19 V6 -","- C236 H380 N4 O76 V24 -","4","0.5","","Christophe Aronica; Guillaume Chastanet; Ekaterina Zueva; Serguei A. Borshch; Juan M. Clemente-Juan; Dominique Luneau","A Mixed-Valence Polyoxovanadate(III,IV) Cluster with a Calixarene Cap Exhibiting Ferromagnetic V(III)-V(IV) Interactions","Journal of the American Chemical Society","2008","130","","2365","2371","10.1021/ja078030q","","","0.71069","MoKα","","0.1152","0.0504","","0.0964","0.0594","0.0594","","","","","","1.1063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107441","28.885","0.005","15.613","0.005","15.789","0.005","90","","104.356","0.005","90","","6898","3","298","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C53 H85 N O19 V6 -","- C52 H80 N O19 V6 -","- C208 H320 N4 O76 V24 -","4","0.5","","Christophe Aronica; Guillaume Chastanet; Ekaterina Zueva; Serguei A. Borshch; Juan M. Clemente-Juan; Dominique Luneau","A Mixed-Valence Polyoxovanadate(III,IV) Cluster with a Calixarene Cap Exhibiting Ferromagnetic V(III)-V(IV) Interactions","Journal of the American Chemical Society","2008","130","","2365","2371","10.1021/ja078030q","","","0.71069","MoKα","","0.139","0.0738","","0.1221","0.0803","0.0803","","","","","","1.0715","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107442","13.0047","0.0008","19.9544","0.0012","24.4736","0.0015","90","","90","","90","","6350.9","0.7","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C26 H32 B9 Cl3 D N P Rh S -","- C26 H32 B9 Cl3 D N P Rh S -","- C208 H256 B72 Cl24 D8 N8 P8 Rh8 S8 -","8","1","","Álvaro Álvarez; Ramón Macías; María José Fabra; Fernando J. Lahoz; Luis A. Oro","Reversible Ethylene Dihydrogen Mediated 11-Vertex nido\ρightarrowcloso\ρightarrownido Conversion in a Metallathiaborane Cluster","Journal of the American Chemical Society","2008","130","","2148","2149","10.1021/ja078197j","","","0.71073","MoKα","","0.065","0.0512","","","0.1037","0.1081","","","","","","1.206","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107443","12.922","0.003","15.436","0.003","12.93","0.003","90","","109.481","0.003","90","","2431.4","0.9","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C43 H46 B9 Cl6 N P2 Rh S -","- C43 H46 B9 Cl6 N P2 Rh S -","- C86 H92 B18 Cl12 N2 P4 Rh2 S2 -","2","1","","Álvaro Álvarez; Ramón Macías; María José Fabra; Fernando J. Lahoz; Luis A. Oro","Reversible Ethylene Dihydrogen Mediated 11-Vertex nido\ρightarrowcloso\ρightarrownido Conversion in a Metallathiaborane Cluster","Journal of the American Chemical Society","2008","130","","2148","2149","10.1021/ja078197j","","","0.71073","MoKα","","0.0814","0.0644","","","0.1306","0.1387","","","","","","1.044","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107444","10.6012","0.0001","14.8549","0.0002","10.5616","0.0001","90","","90","","90","","1663.24","0.03","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H27 N O4 -","- C14 H27 N O4 -","- C56 H108 N4 O16 -","4","1","","Pixu Li; Cory D. Evans; Yongzhong Wu; Bin Cao; Ernest Hamel; Madeleine M. Joullié","Evolution of the Total Syntheses of Ustiloxin Natural Products and Their Analogues","Journal of the American Chemical Society","2008","130","","2351","2364","10.1021/ja710363p","","","0.71069","MoKα","","0.0776","0.0704","","0.2051","0.1977","","","","1.117","1.152","1.152","","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107445","12.1576","0.0014","8.1424","0.0008","13.3921","0.0015","90","","107.226","0.001","90","","1266.2","0.2","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H31 N O7 -","- C28 H31 N O7 -","- C56 H62 N2 O14 -","2","1","","Pixu Li; Cory D. Evans; Yongzhong Wu; Bin Cao; Ernest Hamel; Madeleine M. Joullié","Evolution of the Total Syntheses of Ustiloxin Natural Products and Their Analogues","Journal of the American Chemical Society","2008","130","","2351","2364","10.1021/ja710363p","","","0.71069","MoKα","","0.0321","0.0303","","","0.073","0.0744","","","","","","1.087","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107446","8.9919","0.0002","11.0151","0.0003","20.8011","0.0006","90","","90","","90","","2060.28","0.09","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N2 O6 -","- C19 H28 N2 O6 -","- C76 H112 N8 O24 -","4","1","","Zhihua Chen; Hiroyuki Morimoto; Shigeki Matsunaga; Masakatsu Shibasaki","A Bench-Stable Homodinuclear Ni2-Schiff Base Complex for Catalytic Asymmetric Synthesis of α-Tetrasubstituted anti-α,β-Diamino Acid Surrogates","Journal of the American Chemical Society","2008","130","","2170","2171","10.1021/ja710398q","","","0.71075","MoKα","","","0.0243","","","","0.0635","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107447","12.3594","0.0014","8.5903","0.001","17.871","0.002","90","","91.863","0.003","90","","1896.4","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Co F6 P -","- C18 H26 Co F6 P -","- C72 H104 Co4 F24 P4 -","4","1","","Ross D. Witherell; Kai E. O. Ylijoki; Jeffrey M. Stryker","Cobalt-Mediated η5-Pentadienyl/Alkyne [5 + 2] Cycloaddition. Synthesis and Characterization of Unbridged η2,η3-Coordinated Cycloheptadienyl Complexes","Journal of the American Chemical Society","2008","130","","2176","2177","10.1021/ja710568d","","","0.71073","MoKα","","0.0865","0.0617","","","0.1809","0.1929","","","","","","1.061","","","","has coordinates,has disorder","178820","2020-10-21","18:00:00",""
"4107448","9.8585","0.001","11.2388","0.0011","23.172","0.002","90","","90","","90","","2567.4","0.4","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 B Co F4 Si -","- C26 H36 B Co F4 Si -","- C104 H144 B4 Co4 F16 Si4 -","4","1","","Ross D. Witherell; Kai E. O. Ylijoki; Jeffrey M. Stryker","Cobalt-Mediated η5-Pentadienyl/Alkyne [5 + 2] Cycloaddition. Synthesis and Characterization of Unbridged η2,η3-Coordinated Cycloheptadienyl Complexes","Journal of the American Chemical Society","2008","130","","2176","2177","10.1021/ja710568d","","","0.71073","MoKα","","0.0322","0.0313","","","0.0876","0.0884","","","","","","1.055","","","","has coordinates,has disorder","178820","2020-10-21","18:00:00",""
"4107449","11.698","0.0002","13.7152","0.0003","8.2423","0.0002","90","","90","","90","","1322.4","0.05","160","1","160","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C34 H26 O2 S2 -","- C34 H26 O2 S2 -","- C68 H52 O4 S4 -","2","0.5","","Ronaldo Mariz; Xinjun Luan; Michele Gatti; Anthony Linden; Reto Dorta","A Chiral Bis-Sulfoxide Ligand in Late-Transition Metal Catalysis; Rhodium-Catalyzed Asymmetric Addition of Arylboronic Acids to Electron-Deficient Olefins","Journal of the American Chemical Society","2008","130","","2172","2173","10.1021/ja710665q","","","0.71073","MoKα","","0.0617","0.0457","","","0.1032","0.1118","","","","","","1.075","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107450","28.7957","0.0006","28.7957","0.0006","28.7957","0.0006","90","","90","","90","","23877.2","0.9","160","1","160","1","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C73.33 H62.67 Cl2 O5.33 Rh2 S4 -","- C68 H52 Cl2 O4 Rh2 S4 -","- C816 H624 Cl24 O48 Rh24 S48 -","12","0.5","","Ronaldo Mariz; Xinjun Luan; Michele Gatti; Anthony Linden; Reto Dorta","A Chiral Bis-Sulfoxide Ligand in Late-Transition Metal Catalysis; Rhodium-Catalyzed Asymmetric Addition of Arylboronic Acids to Electron-Deficient Olefins","Journal of the American Chemical Society","2008","130","","2172","2173","10.1021/ja710665q","","","0.71073","MoKα","","0.0527","0.0424","","","0.1065","0.1117","","","","","","1.041","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107451","8.3017","0.0007","8.6291","0.0007","32.591","0.003","90","","91.208","0.001","90","","2334.2","0.3","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Platinum complex","Platinum complex","","- C19 H30 N2 O8 Pt S -","- C19 H30 N2 O8 Pt S -","- C76 H120 N8 O32 Pt4 S4 -","4","1","","Julia R. Khusnutdinova; Laura L. Newman; Peter Y. Zavalij; Yiu-Fai Lam; Andrei N. Vedernikov","Direct C(sp3)-O Reductive Elimination of Olefin Oxides from PtIV-Oxetanes Prepared by Aerobic Oxidation of PtII Olefin Derivatives (Olefin = cis-Cyclooctene, Norbornene)","Journal of the American Chemical Society","2008","130","","2174","2175","10.1021/ja7107323","","","0.71073","MoKα","","0.0275","0.0232","","","0.0484","0.0496","","","","","","1","","","","has coordinates,has disorder","178820","2020-10-21","18:00:00",""
"4107452","8.4315","0.0006","8.5602","0.0006","15.7898","0.0011","90","","99.113","0.001","90","","1125.25","0.14","220","2","220","2","","","","","","","","6","P 1 21 1","P 2yb","4","Pt-complex","Pt-complex","","- C19 H28 N2 O8 Pt S -","- C19 H28 N2 O8 Pt S -","- C38 H56 N4 O16 Pt2 S2 -","2","1","","Julia R. Khusnutdinova; Laura L. Newman; Peter Y. Zavalij; Yiu-Fai Lam; Andrei N. Vedernikov","Direct C(sp3)-O Reductive Elimination of Olefin Oxides from PtIV-Oxetanes Prepared by Aerobic Oxidation of PtII Olefin Derivatives (Olefin = cis-Cyclooctene, Norbornene)","Journal of the American Chemical Society","2008","130","","2174","2175","10.1021/ja7107323","","","0.71073","MoKα","","0.0154","0.0144","","","0.0344","0.0347","","","","","","0.998","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107453","10.112","0.002","10.838","0.002","20.948","0.004","81.12","0.03","79.24","0.03","84","0.03","2221.6","0.8","150","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H68 Br N6 Na O11 -","- C34 H60 Br N6 Na O11 -","- C68 H120 Br2 N12 Na2 O22 -","2","1","","Thelma Koullourou; Louise S. Natrajan; Hiren Bhavsar; Simon J.A. Pope; Jianghua Feng; Johanna Narvainen; Rachel Shaw; Emma Scales; Risto Kauppinen; Alan M. Kenwright; Stephen Faulkner","Synthesis and Spectroscopic Properties of a Prototype Single Molecule Dual Imaging Agent Comprising a Heterobimetallic Rhenium-Gadolinium Complex","Journal of the American Chemical Society","2008","130","","2178","2179","10.1021/ja710859p","","","0.69057","Synchrotron","","0.0842","0.0707","","","0.2014","0.2205","","","","","","0.991","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107454","10.2198","0.0019","24.877","0.005","11.625","0.002","90","","105.398","0.005","90","","2849.4","0.9","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H49 Cl P2 Rh -","- C28 H47 Cl P2 Rh -","- C112 H188 Cl4 P8 Rh4 -","4","1","","Jared C. Lewis; Ashley M. Berman; Robert G. Bergman; Jonathan A. Ellman","Rh(I)-Catalyzed Arylation of Heterocycles via C-H Bond Activation: Expanded Scope through Mechanistic Insight","Journal of the American Chemical Society","2008","130","","2493","2500","10.1021/ja0748985","","","0.775","synchrotron","","0.0892","0.0696","","","0.168","0.18","","","","","","1.057","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107455","10.634","0.002","11.825","0.002","11.639","0.002","90","","108.58","0.003","90","","1387.3","0.4","173.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 Cl P Rh -","- C12 H21 Cl P Rh -","- C48 H84 Cl4 P4 Rh4 -","4","1","","Jared C. Lewis; Ashley M. Berman; Robert G. Bergman; Jonathan A. Ellman","Rh(I)-Catalyzed Arylation of Heterocycles via C-H Bond Activation: Expanded Scope through Mechanistic Insight","Journal of the American Chemical Society","2008","130","","2493","2500","10.1021/ja0748985","","","0.7107","MoKα","","0.064","0.0355","","0.049","","0.0415","","","","","","1.13","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107456","11.0203","0.0006","14.2539","0.001","17.3967","0.0011","90","","101.395","0.004","90","","2678.8","0.3","150","1","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 N2 O2 -","- C36 H28 N2 O2 -","- C144 H112 N8 O8 -","4","0.5","","Annette D. Allen; Jazmin Godoy; Nanyan Fu; Michelle Nagy; Sandra Spadaro; Thomas T. Tidwell; Sinisa Vukovic","Spiro-Aziridine and Bislactam Formation from Bisketene-Imine Cycloadditions","Journal of the American Chemical Society","2008","130","","2386","2387","10.1021/ja077623y","","","0.71073","MoKα","","0.0953","0.0493","","","0.1111","0.1323","","","","","","1.019","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107457","20.2175","0.001","10.5281","0.0008","10.801","0.0016","90","","92.888","0.003","90","","2296.1","0.4","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O2 Si -","- C26 H25 N O2 Si -","- C104 H100 N4 O8 Si4 -","4","1","","Annette D. Allen; Jazmin Godoy; Nanyan Fu; Michelle Nagy; Sandra Spadaro; Thomas T. Tidwell; Sinisa Vukovic","Spiro-Aziridine and Bislactam Formation from Bisketene-Imine Cycloadditions","Journal of the American Chemical Society","2008","130","","2386","2387","10.1021/ja077623y","","","0.71073","MoKα","","0.1711","0.0689","","","0.1405","0.1736","","","","","","0.981","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107458","15.7383","0.001","15.7383","0.001","13.9964","0.0012","90","","90","","90","","3466.8","0.4","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C24 H56 N2 Ni P4 S2 Se2 -","- C24 H56 N2 Ni P4 S2 Se2 -","- C96 H224 N8 Ni4 P16 S8 Se8 -","4","0.25","","Arunkumar Panneerselvam; Mohammad A. Malik; Mohammad Afzaal; Paul O'Brien; Madeleine Helliwell","The Chemical Vapor Deposition of Nickel Phosphide or Selenide Thin Films from a Single Precursor","Journal of the American Chemical Society","2008","130","","2420","2421","10.1021/ja078202j","","","0.71073","MoKα","","0.0321","0.0253","","","0.0638","0.0684","","","","","","1.082","","","","has coordinates,has disorder","178820","2020-10-21","18:00:00",""
"4107459","10.4903","0.0007","10.5136","0.0007","12.9337","0.0008","90","","107.703","0.004","90","","1358.92","0.16","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 Br O4 -","- C15 H13 Br O4 -","- C60 H52 Br4 O16 -","4","2","","Ravi P. Singh; Keith Bartelson; Yi Wang; Heng Su; Xiaojie Lu; Li Deng","Enantioselective Diels-Alder Reaction of Simple α,β-Unsaturated Ketones with a Cinchona Alkaloid Catalyst","Journal of the American Chemical Society","2008","130","","2422","2423","10.1021/ja078251w","","","0.71073","MoKα","","0.0557","0.0424","","0.0852","0.0778","0.0852","","","","","","1.0657","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107460","12.2732","0.0009","10.6002","0.0007","13.1907","0.0009","90","","95.895","0.003","90","","1707","0.2","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H32 Br2 Cl2 O10 -","- C34 H32 Br2 Cl2 O10 -","- C68 H64 Br4 Cl4 O20 -","2","1","","Ravi P. Singh; Keith Bartelson; Yi Wang; Heng Su; Xiaojie Lu; Li Deng","Enantioselective Diels-Alder Reaction of Simple α,β-Unsaturated Ketones with a Cinchona Alkaloid Catalyst","Journal of the American Chemical Society","2008","130","","2422","2423","10.1021/ja078251w","","","0.71073","MoKα","","0.0707","0.0437","","0.0907","0.0715","0.0907","","","","","","0.8504","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107461","11.9709","0.0005","12.1176","0.0005","12.3692","0.0006","94.268","0.001","92.209","0.001","118.233","0.001","1570.85","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H8 B F20 N O4 Re -","- C32 H8 B F20 N O4 Re -","- C64 H16 B2 F40 N2 O8 Re2 -","2","1","","Daesung Chong; Derek R. Laws; Ayman Nafady; Paulo Jorge Costa; Arnold L. Rheingold; Maria José Calhorda; William E. Geiger","[Re(η5-C5H5)(CO)3]+ Family of 17-Electron Compounds: Monomer/Dimer Equilibria and Other Reactions","Journal of the American Chemical Society","2008","130","","2692","2703","10.1021/ja710513n","","","0.71073","MoKα","","0.0257","0.0241","","","0.0607","0.0616","","","","","","1.065","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107462","9.6263","0.0002","10.0188","0.0002","21.2036","0.0004","90","","90","","90","","2044.96","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","hydroxylamine methyl ester","","","- C23 H22 Br N O3 -","- C23 H22 Br N O3 -","- C92 H88 Br4 N4 O12 -","4","1","","Eric M. Phillips; Troy E. Reynolds; Karl A. Scheidt","Highly Diastereo- and Enantioselective Additions of Homoenolates to Nitrones Catalyzed by N-Heterocyclic Carbenes","Journal of the American Chemical Society","2008","130","","2416","2417","10.1021/ja710521m","","","0.71073","MoKα","","0.0367","0.0283","","","0.06","0.0614","","","","","","0.975","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107463","11.8412","0.0016","12.0344","0.0017","15.568","0.002","93.12","0.002","109.31","0.001","112.128","0.001","1898.4","0.4","141","2","141","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H62 Lu N P2 Si2 -","- C34 H62 Lu N P2 Si2 -","- C68 H124 Lu2 N2 P4 Si4 -","2","1","","Jason D. Masuda; Kimberly C. Jantunen; Oleg V. Ozerov; Kevin J. T. Noonan; Derek P. Gates; Brian L. Scott; Jaqueline L. Kiplinger","A Lanthanide Phosphinidene Complex: Synthesis, Structure, and Phospha-Wittig Reactivity","Journal of the American Chemical Society","2008","130","","2408","2409","10.1021/ja7105306","","","0.71073","MoKα","","0.0575","0.0409","","","0.0827","0.0882","","","","","","0.967","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107464","19.993","0.003","24.746","0.004","17.489","0.003","90","","110.892","0.002","90","","8084","2","141","2","141","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H118 Lu2 N2 P6 -","- C70 H88 Lu2 N2 P6 -","- C280 H352 Lu8 N8 P24 -","4","1","","Jason D. Masuda; Kimberly C. Jantunen; Oleg V. Ozerov; Kevin J. T. Noonan; Derek P. Gates; Brian L. Scott; Jaqueline L. Kiplinger","A Lanthanide Phosphinidene Complex: Synthesis, Structure, and Phospha-Wittig Reactivity","Journal of the American Chemical Society","2008","130","","2408","2409","10.1021/ja7105306","","","0.71073","MoKα","","0.0645","0.0382","","","0.0796","0.0861","","","","","","0.985","","","","has coordinates,has disorder","178820","2020-10-21","18:00:00",""
"4107465","8.547","0.0003","15.599","0.0008","14.702","0.0006","90","","103.188","0.003","90","","1908.44","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cl2 Fe N5 -","- C19 H17 Cl2 Fe N5 -","- C76 H68 Cl8 Fe4 N20 -","4","1","","Nasser K. Thallaj; Juliette Przybilla; Richard Welter; Dominique Mandon","A Ferrous Center as Reaction Site for Hydration of a Nitrile Group into a Carboxamide in Mild Conditions","Journal of the American Chemical Society","2008","130","","2414","2415","10.1021/ja710560g","","","0.71073","MoKα","","0.1616","0.121","","","0.1612","0.1714","","","","","","1.266","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107466","10.59","0.0003","12.578","0.0006","17.367","0.0007","90","","102.59","0.05","90","","2257.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cl2 Fe N6 O -","- C21 H22 Cl2 Fe N6 O -","- C84 H88 Cl8 Fe4 N24 O4 -","4","1","","Nasser K. Thallaj; Juliette Przybilla; Richard Welter; Dominique Mandon","A Ferrous Center as Reaction Site for Hydration of a Nitrile Group into a Carboxamide in Mild Conditions","Journal of the American Chemical Society","2008","130","","2414","2415","10.1021/ja710560g","","","0.71073","MoKα","","0.0694","0.0425","","","0.1019","0.1123","","","","","","1.054","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107467","9.1882","0.0005","33.022","0.002","10.3371","0.0005","90","","100.31","0.005","90","","3085.8","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H79 N12 O26 P3 -","- C48 H55 N12 O26 P3 -","- C96 H110 N24 O52 P6 -","2","1","","Carla Bazzicalupi; Andrea Bencini; Antonio Bianchi; Enrico Faggi; Claudia Giorgi; Samuele Santarelli; Barbara Valtancoli","Polyfunctional Binding of Thymidine 5'-Triphosphate with a Synthetic Polyammonium Receptor Containing Aromatic Groups. Crystal Structure of the Nucleotide-Receptor Adduct","Journal of the American Chemical Society","2008","130","","2440","2441","10.1021/ja7106977","","","0.71069","MoKα","","0.1202","0.07","","","0.1639","0.1756","","","","","","0.922","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107468","10.8114","0.0017","13.26","0.002","13.415","0.002","99.515","0.002","95.225","0.002","114.016","0.002","1705.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 Cu F12 N4 O6 -","- C28 H34 Cu F12 N4 O6 -","- C56 H68 Cu2 F24 N8 O12 -","2","1","","Sergey L. Veber; Matvey V. Fedin; Alexey I. Potapov; Ksenia Yu. Maryunina; Galina V. Romanenko; Renad Z. Sagdeev; Victor I. Ovcharenko; Daniella Goldfarb; Elena G. Bagryanskaya","High-Field EPR Reveals the Strongly Temperature-Dependent Exchange Interaction in ""Breathing"" Crystals Cu(hfac)2LR","Journal of the American Chemical Society","2008","130","","2444","2445","10.1021/ja710773u","","","0.71073","MoKα","","0.0475","0.0435","","","0.1155","0.1183","","","","","","1.073","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107469","10.9007","0.0017","13.296","0.002","13.41","0.002","99.156","0.002","95.855","0.002","113.21","0.002","1734.2","0.5","145","2","145","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 Cu F12 N4 O6 -","- C28 H34 Cu F12 N4 O6 -","- C56 H68 Cu2 F24 N8 O12 -","2","1","","Sergey L. Veber; Matvey V. Fedin; Alexey I. Potapov; Ksenia Yu. Maryunina; Galina V. Romanenko; Renad Z. Sagdeev; Victor I. Ovcharenko; Daniella Goldfarb; Elena G. Bagryanskaya","High-Field EPR Reveals the Strongly Temperature-Dependent Exchange Interaction in ""Breathing"" Crystals Cu(hfac)2LR","Journal of the American Chemical Society","2008","130","","2444","2445","10.1021/ja710773u","","","0.71073","MoKα","","0.0468","0.0423","","","0.1376","0.1449","","","","","","1.052","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107470","11.0009","0.0016","13.3437","0.0019","13.4475","0.0019","98.807","0.002","96.408","0.002","112.541","0.002","1770.1","0.4","175","2","175","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 Cu F12 N4 O6 -","- C28 H34 Cu F12 N4 O6 -","- C56 H68 Cu2 F24 N8 O12 -","2","1","","Sergey L. Veber; Matvey V. Fedin; Alexey I. Potapov; Ksenia Yu. Maryunina; Galina V. Romanenko; Renad Z. Sagdeev; Victor I. Ovcharenko; Daniella Goldfarb; Elena G. Bagryanskaya","High-Field EPR Reveals the Strongly Temperature-Dependent Exchange Interaction in ""Breathing"" Crystals Cu(hfac)2LR","Journal of the American Chemical Society","2008","130","","2444","2445","10.1021/ja710773u","","","0.71073","MoKα","","0.0604","0.0531","","","0.1461","0.1534","","","","","","0.95","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107471","11.144","0.003","13.333","0.003","13.454","0.003","98.467","0.004","96.838","0.004","112.28","0.004","1795.9","0.7","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 Cu F12 N4 O6 -","- C28 H34 Cu F12 N4 O6 -","- C56 H68 Cu2 F24 N8 O12 -","2","1","","Sergey L. Veber; Matvey V. Fedin; Alexey I. Potapov; Ksenia Yu. Maryunina; Galina V. Romanenko; Renad Z. Sagdeev; Victor I. Ovcharenko; Daniella Goldfarb; Elena G. Bagryanskaya","High-Field EPR Reveals the Strongly Temperature-Dependent Exchange Interaction in ""Breathing"" Crystals Cu(hfac)2LR","Journal of the American Chemical Society","2008","130","","2444","2445","10.1021/ja710773u","","","0.71073","MoKα","","0.0665","0.0557","","","0.1446","0.1526","","","","","","0.972","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107472","11.328","0.003","13.42","0.003","13.55","0.003","98.366","0.004","96.956","0.004","112.218","0.004","1851.4","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 Cu F12 N4 O6 -","- C28 H29 Cu F12 N4 O6 -","- C56 H58 Cu2 F24 N8 O12 -","2","1","","Sergey L. Veber; Matvey V. Fedin; Alexey I. Potapov; Ksenia Yu. Maryunina; Galina V. Romanenko; Renad Z. Sagdeev; Victor I. Ovcharenko; Daniella Goldfarb; Elena G. Bagryanskaya","High-Field EPR Reveals the Strongly Temperature-Dependent Exchange Interaction in ""Breathing"" Crystals Cu(hfac)2LR","Journal of the American Chemical Society","2008","130","","2444","2445","10.1021/ja710773u","","","0.71073","MoKα","","0.1014","0.0565","","","0.1468","0.1772","","","","","","0.945","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107473","14.091","0.001","6.769","0.0006","15.09","0.001","90","","97.922","0.001","90","","1425.58","0.19","163.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H23 N O4 S -","- C13 H23 N O4 S -","- C52 H92 N4 O16 S4 -","4","1","","Sirilata Yotphan; Robert G. Bergman; Jonathan A. Ellman","The Stereoselective Formation of Bicyclic Enamines with Bridgehead Unsaturation via Tandem C-H Bond Activation/Alkenylation/Electrocyclization","Journal of the American Chemical Society","2008","130","","2452","2453","10.1021/ja710981b","","","0.7107","MoKα","","0.0459","0.0375","","0.0607","","0.0574","","","","","","1.877","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107474","15.8848","0.0014","16.5788","0.0011","16.9656","0.0013","90.6916","0.0018","108.532","0.003","106.966","0.003","4024.7","0.6","173.1","","","","","","","","","","","9","P -1","-P 1","2","","","","- C85 H68 B Cl2 F24 Ge P Ru S -","- C85 H68 B Cl2 F24 Ge P Ru S -","- C170 H136 B2 Cl4 F48 Ge2 P2 Ru2 S2 -","2","1","","Tsuyoshi Matsumoto; Yukiko Nakaya; Naohisa Itakura; Kazuyuki Tatsumi","A Functional Hydrogenase Model: Reversible Interconversion of H2 and H2O by a Hydroxo/Sulfido-Bridged Dinuclear Ruthenium-Germanium Complex","Journal of the American Chemical Society","2008","130","","2458","2459","10.1021/ja711325f","","","0.7107","MoKα","","","0.0562","","","","0.13","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107475","10.8312","0.0018","11.206","0.0019","20.876","0.003","98.2174","0.0016","93.0858","0.0017","114.717","0.0016","2259.8","0.6","123.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C111 H114 Ge2 P2 Ru2 S2 -","- C111 H111 Ge2 P2 Ru2 S2 -","- C111 H111 Ge2 P2 Ru2 S2 -","1","0.5","","Tsuyoshi Matsumoto; Yukiko Nakaya; Naohisa Itakura; Kazuyuki Tatsumi","A Functional Hydrogenase Model: Reversible Interconversion of H2 and H2O by a Hydroxo/Sulfido-Bridged Dinuclear Ruthenium-Germanium Complex","Journal of the American Chemical Society","2008","130","","2458","2459","10.1021/ja711325f","","","0.7107","MoKα","","","0.0382","","","","0.108","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107476","7.1044","0.0005","7.1739","0.0005","16.6481","0.0012","98.214","0.004","92.598","0.005","107.335","0.004","798.17","0.1","243","0.2","243","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 F2 S2 Si2 -","- C34 H36 F2 S2 Si2 -","- C34 H36 F2 S2 Si2 -","1","0.5","","Sankar Subramanian; Sung Kyu Park; Sean R. Parkin; Vitaly Podzorov; Thomas N. Jackson; John E. Anthony","Chromophore Fluorination Enhances Crystallization and Stability of Soluble Anthradithiophene Semiconductors","Journal of the American Chemical Society","2008","130","","2706","2707","10.1021/ja073235k","","","1.54178","CuKα","","0.0755","0.056","","","0.1346","0.1466","","","","","","1.082","","","","has coordinates,has disorder","178820","2020-10-21","18:00:00",""
"4107477","7.5766","0.0004","8.1796","0.0005","16.1503","0.001","100.846","0.003","92.621","0.003","98.79","0.002","968.6","0.1","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 F2 S2 Si2 -","- C40 H48 F2 S2 Si2 -","- C40 H48 F2 S2 Si2 -","1","0.5","","Sankar Subramanian; Sung Kyu Park; Sean R. Parkin; Vitaly Podzorov; Thomas N. Jackson; John E. Anthony","Chromophore Fluorination Enhances Crystallization and Stability of Soluble Anthradithiophene Semiconductors","Journal of the American Chemical Society","2008","130","","2706","2707","10.1021/ja073235k","","","0.71073","MoKα","","0.0797","0.0559","","","0.1339","0.1487","","","","","","1.079","","","","has coordinates,has disorder","178820","2020-10-21","18:00:00",""
"4107478","10.448","0.0003","12.816","0.0004","32.848","0.0011","90","","90","","90","","4398.4","0.2","130","2","130","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","bmc-f-43-1","bmc-f-43-1","","- C45 H55 B F4 N2 O P2 Pd -","- C45 H55 B F4 N2 O P2 Pd -","- C180 H220 B4 F16 N8 O4 P8 Pd4 -","4","1","","Brian M. Cochran; Forrest E. Michael","Mechanistic Studies of a Palladium-Catalyzed Intramolecular Hydroamination of Unactivated Alkenes: Protonolysis of a Stable Palladium Alkyl Complex Is the Turnover-Limiting Step","Journal of the American Chemical Society","2008","130","","2786","2792","10.1021/ja0734997","","","0.71073","MoKα","","0.2049","0.0693","","","0.1164","0.1501","","","","","","0.996","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107479","20.34","0.006","7.644","0.002","14.309","0.004","90","","109.437","0.007","90","","2098","1","108","2","108","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 N2 O7 V -","- C6 H13 N2 O7 V -","- C48 H104 N16 O56 V8 -","8","2","","Curtis J. Schneider; James E. Penner-Hahn; Vincent L. Pecoraro","Elucidating the Protonation Site of Vanadium Peroxide Complexes and the Implications for Biomimetic Catalysis","Journal of the American Chemical Society","2008","130","","2712","2713","10.1021/ja077404c","","","0.71073","MoKα","","0.0729","0.0693","","","0.2152","0.2211","","","","","","1.083","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107480","12.0086","0.0004","15.2553","0.0005","27.7796","0.0011","90","","90","","68.174","0.002","4724.3","0.3","293","2","223","2","","","","","","","","7","P 1 1 21/n","-P 2n","14","","Phenyltris(1-mesityl-imidazol-2-ylidene)boratoiron(ii) chloride","","- C16.73 H18.91 B0.36 Cl0.36 Fe0.36 N2.18 O0.36 -","- C16.7273 H18.9091 B0.363636 Cl0.363636 Fe0.363636 N2.18182 O0.363636 -","- C184 H208 B4 Cl4 Fe4 N24 O4 -","11","2.75","","Ismael Nieto; Feizhi Ding; Ranko P. Bontchev; Haobin Wang; Jeremy M. Smith","Thermodynamics of Hydrogen Atom Transfer to a High-Valent Iron Imido Complex","Journal of the American Chemical Society","2008","130","","2716","2717","10.1021/ja0776834","","","0.71073","MoKα","","0.0744","0.0666","","","0.2159","0.2299","","","","","","1.113","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107481","11.0815","0.0009","13.1645","0.001","15.5303","0.0012","96.39","0.004","93.355","0.004","97.093","0.004","2228.3","0.3","223","2","293","2","","","","","","","","5","P -1","-P 1","2","","Cyclooctenephenyltris-(1-mesity-imidazol-2-ylidene)boratoiron(i)","","- C50 H58 B Fe N6 -","- C50 H58 B Fe N6 -","- C100 H116 B2 Fe2 N12 -","2","1","","Ismael Nieto; Feizhi Ding; Ranko P. Bontchev; Haobin Wang; Jeremy M. Smith","Thermodynamics of Hydrogen Atom Transfer to a High-Valent Iron Imido Complex","Journal of the American Chemical Society","2008","130","","2716","2717","10.1021/ja0776834","","","0.71073","MoKα","","0.0518","0.0422","","","0.1102","0.129","","","","","","1.199","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107482","12.8658","0.0005","14.168","0.0005","17.1575","0.0006","67.839","0.002","83.695","0.002","74.14","0.002","2786.14","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","1-Adamantyl-phenyltris(1-mesitylimidazol-2-ylidene)boratoiron(ii)","","- C37.33 H46 B0.67 Fe0.67 N4.67 O0.67 -","- C37.3333 H46 B0.666667 Fe0.666667 N4.66667 O0.666667 -","- C112 H138 B2 Fe2 N14 O2 -","3","1.5","","Ismael Nieto; Feizhi Ding; Ranko P. Bontchev; Haobin Wang; Jeremy M. Smith","Thermodynamics of Hydrogen Atom Transfer to a High-Valent Iron Imido Complex","Journal of the American Chemical Society","2008","130","","2716","2717","10.1021/ja0776834","","","0.71073","MoKα","","0.0756","0.0656","","","0.2147","0.23","","","","","","1.151","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107483","22.1839","0.0007","14.0327","0.0004","23.1256","0.0007","90","","114.901","0.002","90","","6529.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Adamantylimido-phenyltris(1-mesitylimidazol-2-ylidene)boratoiron(iv) tetraphenylborate.","","- C76 H79 B2 Fe N7 -","- C76 H79 B2 Fe N7 -","- C304 H316 B8 Fe4 N28 -","4","1","","Ismael Nieto; Feizhi Ding; Ranko P. Bontchev; Haobin Wang; Jeremy M. Smith","Thermodynamics of Hydrogen Atom Transfer to a High-Valent Iron Imido Complex","Journal of the American Chemical Society","2008","130","","2716","2717","10.1021/ja0776834","","","0.71073","MoKα","","0.0655","0.0491","","","0.1337","0.1539","","","","","","1.163","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107484","13.839","0.002","14.853","0.002","17.604","0.003","90","","90","","90","","3618.5","0.9","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C32 H42 Fe N6 O7 S2 -","- C32 H42 Fe N6 O7 S2 -","- C128 H168 Fe4 N24 O28 S8 -","4","0.5","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Peter D. Southon; John D. Cashion; Jean-François Létard; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Single-Crystal to Single-Crystal Structural Transformation and Photomagnetic Properties of a Porous Iron(II) Spin-Crossover Framework","Journal of the American Chemical Society","2008","130","","2869","2876","10.1021/ja077958f","","","0.71073","MoKα","","0.1059","0.0798","","","0.2268","0.2543","","","","","","1.05","","","","has coordinates,has disorder","178820","2020-10-21","18:00:00",""
"4107485","14.796","0.002","14.796","0.002","17.399","0.004","90","","90","","90","","3809","1.1","173","2","375","2","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C26 H20 Fe N6 O4 S2 -","- C26 H20 Fe N6 O4 S2 -","- C104 H80 Fe4 N24 O16 S8 -","4","0.125","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Peter D. Southon; John D. Cashion; Jean-François Létard; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Single-Crystal to Single-Crystal Structural Transformation and Photomagnetic Properties of a Porous Iron(II) Spin-Crossover Framework","Journal of the American Chemical Society","2008","130","","2869","2876","10.1021/ja077958f","","","0.71073","MoKα","","0.102","0.0811","","","0.2118","0.2439","","","","","","1.206","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107486","13.875","0.002","15.083","0.002","17.97","0.003","90","","90","","90","","3760.7","1","200","2","200","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C32 H42 Fe N6 O7 S2 -","- C32 H42 Fe N6 O7 S2 -","- C128 H168 Fe4 N24 O28 S8 -","4","0.5","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Peter D. Southon; John D. Cashion; Jean-François Létard; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Single-Crystal to Single-Crystal Structural Transformation and Photomagnetic Properties of a Porous Iron(II) Spin-Crossover Framework","Journal of the American Chemical Society","2008","130","","2869","2876","10.1021/ja077958f","","","0.71073","MoKα","","0.0764","0.0624","","","0.2085","0.2301","","","","","","0.998","","","","has coordinates,has disorder","178820","2020-10-21","18:00:00",""
"4107487","12.424","0.0013","20.853","0.002","17.974","0.0019","90","","94.01","0.002","90","","4645.3","0.8","158","2","158","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H68 N2 O5 Zr -","- C46 H68 N2 O5 Zr -","- C184 H272 N8 O20 Zr4 -","4","1","","Karen J. Blackmore; Neetu Lal; Joseph W. Ziller; Alan F. Heyduk","Catalytic Reactivity of a Zirconium(IV) Redox-Active Ligand Complex with 1,2-Diphenylhydrazine","Journal of the American Chemical Society","2008","130","","2728","2729","10.1021/ja710611v","","","0.71073","MoKα","","0.0877","0.0713","","","0.2122","0.2313","","","","","","1.095","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107488","22.584","0.005","9.846","0.002","18.559","0.004","90","","90","","90","","4126.8","1.5","163","2","163","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H60 Cl2 N2 O4 Zr -","- C42 H60 Cl2 N2 O4 Zr -","- C168 H240 Cl8 N8 O16 Zr4 -","4","1","","Karen J. Blackmore; Neetu Lal; Joseph W. Ziller; Alan F. Heyduk","Catalytic Reactivity of a Zirconium(IV) Redox-Active Ligand Complex with 1,2-Diphenylhydrazine","Journal of the American Chemical Society","2008","130","","2728","2729","10.1021/ja710611v","","","0.71073","MoKα","","0.1005","0.0564","","","0.1331","0.1623","","","","","","1.039","","","","has coordinates,has disorder","178820","2020-10-21","18:00:00",""
"4107489","12.5585","0.0008","10.5717","0.0007","21.191","0.0014","90","","98.341","0.001","90","","2783.7","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H37 F3 O9 P2 Pd -","- C20 H37 F3 O9 P2 Pd -","- C80 H148 F12 O36 P8 Pd4 -","4","1","","Li-Biao Han; Yutaka Ono; Shigeru Shimada","Palladium-Catalyzed Dehydrogenative Cis Double Phosphorylation of Alkynes with H-Phosphonate Leading to (Z)-Bisphosphoryl-1-alkenes","Journal of the American Chemical Society","2008","130","","2752","2753","10.1021/ja7108272","","","0.71069","MoKα","","","0.0309","","","","0.0698","","","","","","1.031","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4107490","27.2026","0.0012","11.6441","0.0005","22.7334","0.001","90","","100.305","0.001","90","","7084.6","0.5","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H53 F3 O10 P2 Pd -","- C28 H16 F3 O10 P2 Pd -","- C224 H128 F24 O80 P16 Pd8 -","8","1","","Li-Biao Han; Yutaka Ono; Shigeru Shimada","Palladium-Catalyzed Dehydrogenative Cis Double Phosphorylation of Alkynes with H-Phosphonate Leading to (Z)-Bisphosphoryl-1-alkenes","Journal of the American Chemical Society","2008","130","","2752","2753","10.1021/ja7108272","","","0.71069","MoKα","","","0.0497","","","","0.1295","","","","","","1.069","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4107491","5.0572","0.0007","11.6708","0.0014","13.3628","0.0015","113.92","0.005","94.895","0.005","96.313","0.005","709.22","0.16","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H13 Br N O4 -","- C14 H13 Br N O4 -","- C28 H26 Br2 N2 O8 -","2","2","","Cisco Bee; Soo Bong Han; Abbas Hassan; Hiroki Iida; Michael J. Krische","Diastereo- and Enantioselective Hydrogenative Aldol Coupling of Vinyl Ketones: Design of Effective Monodentate TADDOL-Like Phosphonite Ligands","Journal of the American Chemical Society","2008","130","","2746","2747","10.1021/ja710862u","","","0.71073","MoKα","","0.1003","0.0759","","","0.176","0.1876","","","","","","1.34","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107492","10.553","0.0006","10.553","0.0006","50.011","0.002","90","","90","","90","","5569.5","0.5","153","2","153","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C47 H62 F3 O11 P2 Rh S3 -","- C47 H62 F3 O11 P2 Rh S3 -","- C188 H248 F12 O44 P8 Rh4 S12 -","4","0.5","","Cisco Bee; Soo Bong Han; Abbas Hassan; Hiroki Iida; Michael J. Krische","Diastereo- and Enantioselective Hydrogenative Aldol Coupling of Vinyl Ketones: Design of Effective Monodentate TADDOL-Like Phosphonite Ligands","Journal of the American Chemical Society","2008","130","","2746","2747","10.1021/ja710862u","","","0.71073","MoKα","","0.1445","0.1078","","","0.2592","0.274","","","","","","1.268","","","","has coordinates,has disorder","178820","2020-10-21","18:00:00",""
"4107493","7.3647","0.0003","9.5326","0.0005","15.7688","0.0007","90","","100.179","0.002","90","","1089.62","0.09","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 Br N2 O7 -","- C22 H19 Br N2 O7 -","- C44 H38 Br2 N4 O14 -","2","1","","Cisco Bee; Soo Bong Han; Abbas Hassan; Hiroki Iida; Michael J. Krische","Diastereo- and Enantioselective Hydrogenative Aldol Coupling of Vinyl Ketones: Design of Effective Monodentate TADDOL-Like Phosphonite Ligands","Journal of the American Chemical Society","2008","130","","2746","2747","10.1021/ja710862u","","","0.7107","MoKα","","0.035","0.0281","","","0.0552","0.058","","","","","","1.026","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107494","8.2677","0.0004","11.2246","0.0006","30.5196","0.0017","90","","90","","90","","2832.3","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 O5 -","- C31 H48 O5 -","- C124 H192 O20 -","4","1","","Suwei Dong; Jianglong Zhu; John A. Porco","Enantioselective Synthesis of Bicyclo[2.2.2]octenones Using a Copper-Mediated Oxidative Dearomatization/[4 + 2] Dimerization Cascade1","Journal of the American Chemical Society","2008","130","","2738","2739","10.1021/ja711018z","","","0.71073","MoKα","","0.0515","0.0417","","","0.1001","0.1057","","","","","","1.043","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107495","11.8734","0.0015","17.225","0.002","22.814","0.003","90.536","0.002","103.247","0.002","108.671","0.002","4285.4","0.9","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- H18.8 K9.8 Na3 O80.3 P2 Pd W19 -","- K9.8 Na3 O80.3 P2 Pd W19 -","- K19.6 Na6 O160.6 P4 Pd2 W38 -","2","1","","Travis M. Anderson; Rui Cao; Elena Slonkina; Britt Hedman; Keith O. Hodgson; Kenneth I. Hardcastle; Wade A. Neiwert; Shaoxiong Wu; Martin L. Kirk; Sushilla Knottenbelt; Ezra C. Depperman; Bineta Keita; Louis Nadjo; Djamaladdin G. Musaev; Keiji Morokuma; Craig L. Hill","A Palladium-Oxo Complex. Stabilization of This Proposed Catalytic Intermediate by an Encapsulating Polytungstate Ligand [J. Am. Chem.Soc.2005,127, 11948-11949].","Journal of the American Chemical Society","2008","130","","2877","2877","10.1021/ja711078v","","","0.71073","MoKα","","0.0502","0.0448","","","0.1391","0.1439","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107496","38.433","0.003","5.439","0.0004","18.8955","0.0015","90","","110.179","0.001","90","","3707.4","0.5","125","2","125","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H24 O5 -","- C22 H24 O5 -","- C176 H192 O40 -","8","2","","Maolin Yu; Samuel J. Danishefsky","A Direct Route to Fluostatin C by a Fascinating Diels-Alder Reaction","Journal of the American Chemical Society","2008","130","","2783","2785","10.1021/ja7113757","","","0.71073","MoKα","","0.0874","0.0537","","","0.1252","0.1429","","","","","","1.023","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107497","12.671","0.0004","17.396","0.0003","21.867","0.0007","90","","90","","90","","4820","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Si3Se-bicyclo[1.1.0]butane","","- C36 H84 Se Si7 -","- C36 H84 Se Si7 -","- C144 H336 Se4 Si28 -","4","1","","Vladimir Ya. Lee; Shogo Miyazaki; Hiroyuki Yasuda; Akira Sekiguchi","Isomeric Metamorphosis: Si3E (E = S, Se, and Te) Bicyclo[1.1.0]butane and Cyclobutene","Journal of the American Chemical Society","2008","130","","2758","2759","10.1021/ja800111r","","","0.7107","MoKα","","0.063","0.0533","","","0.1436","0.15","","","","","","1.046","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107498","12.687","0.0003","17.482","0.0004","21.893","0.0006","90","","90","","90","","4855.7","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Si3Te-bicyclo[1.1.0]butane","","- C36 H84 Si7 Te -","- C36 H84 Si7 Te -","- C144 H336 Si28 Te4 -","4","1","","Vladimir Ya. Lee; Shogo Miyazaki; Hiroyuki Yasuda; Akira Sekiguchi","Isomeric Metamorphosis: Si3E (E = S, Se, and Te) Bicyclo[1.1.0]butane and Cyclobutene","Journal of the American Chemical Society","2008","130","","2758","2759","10.1021/ja800111r","","","0.7107","MoKα","","0.0375","0.0332","","","0.0871","0.0893","","","","","","1.013","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107499","20.007","0.0007","12.243","0.0004","23.723","0.0007","90","","123.58","0.002","90","","4841.1","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Si3Se-cyclobutene","","- C36 H84 Se Si7 -","- C36 H84 Se Si7 -","- C144 H336 Se4 Si28 -","4","1","","Vladimir Ya. Lee; Shogo Miyazaki; Hiroyuki Yasuda; Akira Sekiguchi","Isomeric Metamorphosis: Si3E (E = S, Se, and Te) Bicyclo[1.1.0]butane and Cyclobutene","Journal of the American Chemical Society","2008","130","","2758","2759","10.1021/ja800111r","","","0.7107","MoKα","","0.0761","0.0615","","","0.1705","0.1827","","","","","","1.051","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107500","8.9163","0.0003","20.8603","0.0007","11.1551","0.0005","90","","91.3879","0.0015","90","","2074.2","0.14","123.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 Co N10 O4 S2 -","- C46 H36 Co N10 O4 S2 -","- C92 H72 Co2 N20 O8 S4 -","2","0.5","","Shinji Kanegawa; Satoru Karasawa; Masataka Maeyama; Motohiro Nakano; Noboru Koga","Crystal Design of Monometallic Single-Molecule Magnets Consisting of Cobalt-Aminoxyl Heterospins","Journal of the American Chemical Society","2008","130","","3079","3094","10.1021/ja0767579","","","0.71075","MoKα","","","0.0394","","","","0.1091","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107501","11.2616","0.0005","19.5979","0.0007","23.6461","0.0009","90","","90.573","0.0012","90","","5218.5","0.4","123.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H44 Co N10 O9 S2 -","- C54 H44 Co N10 O9 S2 -","- C216 H176 Co4 N40 O36 S8 -","4","1","","Shinji Kanegawa; Satoru Karasawa; Masataka Maeyama; Motohiro Nakano; Noboru Koga","Crystal Design of Monometallic Single-Molecule Magnets Consisting of Cobalt-Aminoxyl Heterospins","Journal of the American Chemical Society","2008","130","","3079","3094","10.1021/ja0767579","","","0.71075","MoKα","","","0.0631","","","","0.1603","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107502","17.0307","0.0011","21.0325","0.0013","10.8981","0.0008","90","","129.732","0.0018","90","","3002.1","0.4","296.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tert-butylphenyl)-N-oxylamino}pyridine]di(thiocyanato-N)cobalt(II)","","- C62 H68 Co N10 O4 S2 -","- C62 H68 Co N10 O4 S2 -","- C124 H136 Co2 N20 O8 S4 -","2","0.5","","Shinji Kanegawa; Satoru Karasawa; Masataka Maeyama; Motohiro Nakano; Noboru Koga","Crystal Design of Monometallic Single-Molecule Magnets Consisting of Cobalt-Aminoxyl Heterospins","Journal of the American Chemical Society","2008","130","","3079","3094","10.1021/ja0767579","","","0.71075","MoKα","","","0.058","","","","0.172","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107503","10.1796","0.0008","12.5417","0.0009","20.2773","0.0015","75.475","0.002","83.843","0.002","83.886","0.002","2483.1","0.3","123.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C102 H152 Co N10 O6 S2 -","- C102 H152 Co N10 O6 S2 -","- C102 H152 Co N10 O6 S2 -","1","0.5","","Shinji Kanegawa; Satoru Karasawa; Masataka Maeyama; Motohiro Nakano; Noboru Koga","Crystal Design of Monometallic Single-Molecule Magnets Consisting of Cobalt-Aminoxyl Heterospins","Journal of the American Chemical Society","2008","130","","3079","3094","10.1021/ja0767579","","","0.71075","MoKα","","","0.0863","","","","0.2415","","","","","","0.955","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107504","10.3678","0.0005","12.4883","0.0007","20.1384","0.0008","75.1828","0.0014","83.049","0.0011","84.746","0.0016","2497.2","0.2","296.1","","","","","","","","","","","5","P -1","-P 1","2","","6-tert-butylphenyl)-N-oxylamino}pyridine]di(isocyanato-N)cobalt(II)","","- C102 H152 Co N10 O8 -","- C102 H152 Co N10 O8 -","- C102 H152 Co N10 O8 -","1","0.5","","Shinji Kanegawa; Satoru Karasawa; Masataka Maeyama; Motohiro Nakano; Noboru Koga","Crystal Design of Monometallic Single-Molecule Magnets Consisting of Cobalt-Aminoxyl Heterospins","Journal of the American Chemical Society","2008","130","","3079","3094","10.1021/ja0767579","","","0.71075","MoKα","","","0.0627","","","","0.2011","","","","","","1.14","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107505","9.99","0.0004","19.4317","0.0008","11.8283","0.0005","90","","116.326","0.0015","90","","2058","0.15","123.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 N2 O -","- C23 H33 N2 O -","- C92 H132 N8 O4 -","4","1","","Shinji Kanegawa; Satoru Karasawa; Masataka Maeyama; Motohiro Nakano; Noboru Koga","Crystal Design of Monometallic Single-Molecule Magnets Consisting of Cobalt-Aminoxyl Heterospins","Journal of the American Chemical Society","2008","130","","3079","3094","10.1021/ja0767579","","","0.71075","MoKα","","","0.0924","","","","0.2685","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107506","18.2162","0.0006","10.8471","0.0005","22.0773","0.0008","90","","98.4008","0.001","90","","4315.5","0.3","123.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N2 O -","- C29 H21 N2 O -","- C232 H168 N16 O8 -","8","2","","Shinji Kanegawa; Satoru Karasawa; Masataka Maeyama; Motohiro Nakano; Noboru Koga","Crystal Design of Monometallic Single-Molecule Magnets Consisting of Cobalt-Aminoxyl Heterospins","Journal of the American Chemical Society","2008","130","","3079","3094","10.1021/ja0767579","","","0.71075","MoKα","","","0.0525","","","","0.0971","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107507","10.2316","0.0001","10.2316","0.0001","34.3642","0.0006","90","","90","","90","","3597.44","0.08","296","2","296","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C40 H60 N4 O128 Si64 -","- C45.44 H66.24 N4.16 O128 Si64 -","- C45.44 H66.24 N4.16 O128 Si64 -","1","0.03125","","Darren H. Brouwer; Gary D. Enright","Probing Local Structure in Zeolite Frameworks: Ultrahigh-Field NMR Measurements and Accurate First-Principles Calculations of Zeolite 29Si Magnetic Shielding Tensors","Journal of the American Chemical Society","2008","130","","3095","3105","10.1021/ja077430a","","","0.71073","MoKα","","0.0346","0.0271","","","0.0703","0.074","","","","","","1.047","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107508","38.945","0.004","24.649","0.002","17.3178","0.0015","90","","113.609","0.002","90","","15233","2","138","2","138","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C135 H100 F24 Mn4 N31 O4 P4 Re -","- C89.3333 H66.6667 F14.6227 Mn2.66667 N21.3333 O2.33333 P2.70933 Re0.666667 -","- C536 H400 F87.736 Mn16 N128 O14 P16.256 Re4 -","6","0.75","","Danna E. Freedman; David M. Jenkins; Anthony T. Iavarone; Jeffrey R. Long","A Redox-Switchable Single-Molecule Magnet Incorporating [Re(CN)7]3-","Journal of the American Chemical Society","2008","130","","2884","2885","10.1021/ja077527x","","","0.71073","MoKα","","0.1411","0.0806","","","0.2244","0.2585","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107509","38.414","0.013","24.631","0.008","17.267","0.006","90","","113.491","0.006","90","","14984","9","173","","173","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C129 H100 F30 Mn4 N30 O P5 Re -","- C130 H100 F22.01 Mn4 N32 O P4 Re -","- C520 H400 F88.04 Mn16 N128 O4 P16 Re4 -","4","0.5","","Danna E. Freedman; David M. Jenkins; Anthony T. Iavarone; Jeffrey R. Long","A Redox-Switchable Single-Molecule Magnet Incorporating [Re(CN)7]3-","Journal of the American Chemical Society","2008","130","","2884","2885","10.1021/ja077527x","","","0.71073","MoKα","","0.1643","0.1161","","","0.3038","0.3551","","","","","","1.359","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107510","4.1275","0.0003","4.1275","0.0003","4.2357","0.0004","90","","90","","120","","62.493","0.009","293","2","293","2","","","","","","","","3","P 6/m m m","-P 6 2","191","Ytterbium gallium silicide","Ytterbium gallium silicon","","- Ga1.13 Si0.87 Yb -","- Ga1.126 Si0.874 Yb -","- Ga1.126 Si0.874 Yb -","1","0.0416667","","Motoharu Imai; Akira Sato; Takeshi Aoyagi; Takashi Kimura; Yoshitaka Matsushita; Naohito Tsujii","Superconductivity in the AlB2-Type Ternary Rare-Earth Silicide YbGa1.1Si0.9","Journal of the American Chemical Society","2008","130","","2886","2887","10.1021/ja077669r","","","0.71073","MoKα","","0.0249","0.0249","","","0.0589","0.0589","","","","","","1.16","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107511","14.2841","0.0007","16.2847","0.0008","17.3657","0.0009","90","","100.91","0.001","90","","3966.5","0.3","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H45 B2 Cl2 F2 N5 O -","- C46 H43 B2 Cl2 F2 N5 O -","- C184 H172 B8 Cl8 F8 N20 O4 -","4","1","","Amelia M. Albrett; Jeanet Conradie; Peter D. W. Boyd; George R. Clark; Abhik Ghosh; Penelope J. Brothers","Corrole as a Binucleating Ligand: Preparation, Molecular Structure and Density Functional Theory Study of Diboron Corroles","Journal of the American Chemical Society","2008","130","","2888","2889","10.1021/ja077785u","","","0.71073","MoKα","","0.1083","0.0764","","","0.1806","0.2069","","","","","","1.017","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107512","13.176","0.007","17.57","0.007","19.056","0.013","111.95","0.04","100.34","0.05","95.84","0.04","3956","4","20","1","20","1","","","","","","","","4","P -1","-P 1","2","[Fe(TPP)(2-MeHIm)]","","","- C100 H74 Fe2 N14 -","- C100 H74 Fe2 N14 -","- C200 H148 Fe4 N28 -","2","1","","Chuanjiang Hu; Bruce C. Noll; Paula M. B. Piccoli; Arthur J. Schultz; Charles E. Schulz; W. Robert Scheidt","Hydrogen Bonding Effects on the Electronic Configuration of Five-Coordinate High-Spin Iron(II) Porphyrinates","Journal of the American Chemical Society","2008","130","","3127","3136","10.1021/ja078222l","powder diffraction","neutron","","neutron","","0.185","0.165","","","","0.171","","","1.37","","","1.37","","","","has coordinates,has Fobs","178821","2020-10-21","18:00:00",""
"4107513","13.1854","0.0002","17.5883","0.0003","19.0189","0.0003","111.751","0.001","100.371","0.001","95.742","0.001","3962","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","[Fe(TPP)(2-MeHIm)]","","","- C100 H74 Fe2 N14 -","- C100 H74 Fe2 N14 -","- C200 H148 Fe4 N28 -","2","1","","Chuanjiang Hu; Bruce C. Noll; Paula M. B. Piccoli; Arthur J. Schultz; Charles E. Schulz; W. Robert Scheidt","Hydrogen Bonding Effects on the Electronic Configuration of Five-Coordinate High-Spin Iron(II) Porphyrinates","Journal of the American Chemical Society","2008","130","","3127","3136","10.1021/ja078222l","","","0.71073","MoKα","","0.0552","0.0368","","","0.0865","0.0944","","","","","","1.023","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107514","9.1056","0.0003","9.1056","0.0003","15.955","0.0012","90","","90","","120","","1145.63","0.1","100","2","100","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C8 H4 Cu O4.11 -","- C8 H4 Cu O4.11 -","- C48 H24 Cu6 O24.66 -","6","0.5","","Emily A. Nytko; Joel S. Helton; Peter Müller; Daniel G. Nocera","A Structurally Perfect S=1/2 Metal-Organic Hybrid Kagomé Antiferromagnet","Journal of the American Chemical Society","2008","130","","2922","2923","10.1021/ja709991u","","","0.71073","MoKα","","0.0235","0.0217","","","0.0621","0.0637","","","","","","1.101","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107515","7.0738","0.0006","10.8611","0.0008","12.079","0.0009","104.014","0.001","99.412","0.001","98.208","0.001","872.01","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 Cu6 O26 -","- C32 H24 Cu6 O26 -","- C32 H24 Cu6 O26 -","1","0.5","","Emily A. Nytko; Joel S. Helton; Peter Müller; Daniel G. Nocera","A Structurally Perfect S=1/2 Metal-Organic Hybrid Kagomé Antiferromagnet","Journal of the American Chemical Society","2008","130","","2922","2923","10.1021/ja709991u","","","0.71073","MoKα","","0.0512","0.0333","","","0.0699","0.0768","","","","","","1.021","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107516","9.1081","0.0002","9.1081","0.0002","15.9432","0.0005","90","","90","","120","","1145.41","0.05","100","2","100","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C8 H4 Cu O4 -","- C8 H4 Cu O4 -","- C48 H24 Cu6 O24 -","6","0.5","","Emily A. Nytko; Joel S. Helton; Peter Müller; Daniel G. Nocera","A Structurally Perfect S=1/2 Metal-Organic Hybrid Kagomé Antiferromagnet","Journal of the American Chemical Society","2008","130","","2922","2923","10.1021/ja709991u","","","0.71073","MoKα","","0.0217","0.0212","","","0.0667","0.0674","","","","","","1.098","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107517","8.8042","0.0001","24.7788","0.0003","17.0166","0.0003","90","","101.457","0.0002","90","","3638.33","0.09","173.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 Cl2 Ru2 S2 -","- C38 H46 Cl2 Ru2 S2 -","- C152 H184 Cl8 Ru8 S8 -","4","1","","Yoshihiro Yamauchi; Masahiro Yuki; Yoshiaki Tanabe; Yoshihiro Miyake; Youichi Inada; Sakae Uemura; Yoshiaki Nishibayashi","Ruthenium-Catalyzed Vinylic Substitution Reactions with Nucleophiles via Butatrienylidene Intermediates","Journal of the American Chemical Society","2008","130","","2908","2909","10.1021/ja710013y","","","0.71069","MoKα","","","0.03","","","","0.0754","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107518","13.9616","0.0004","5.5553","0.0002","15.2886","0.0005","90","","92.1092","0.0014","90","","1184.99","0.07","173.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","1","","Yoshihiro Yamauchi; Masahiro Yuki; Yoshiaki Tanabe; Yoshihiro Miyake; Youichi Inada; Sakae Uemura; Yoshiaki Nishibayashi","Ruthenium-Catalyzed Vinylic Substitution Reactions with Nucleophiles via Butatrienylidene Intermediates","Journal of the American Chemical Society","2008","130","","2908","2909","10.1021/ja710013y","","","0.71069","MoKα","","","0.0369","","","","0.0622","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107519","14.0117","0.0002","7.9618","0.0002","27.913","0.0006","90","","90","","90","","3113.93","0.11","173.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C152 H160 O16 -","8","1","","Yoshihiro Yamauchi; Masahiro Yuki; Yoshiaki Tanabe; Yoshihiro Miyake; Youichi Inada; Sakae Uemura; Yoshiaki Nishibayashi","Ruthenium-Catalyzed Vinylic Substitution Reactions with Nucleophiles via Butatrienylidene Intermediates","Journal of the American Chemical Society","2008","130","","2908","2909","10.1021/ja710013y","","","0.71069","MoKα","","","0.0539","","","","0.0616","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107520","11.42","0.0002","24.7034","0.0005","13.1336","0.0002","90","","97.899","0.003","90","","3670","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 Cr N4 O -","- C40 H54 Cr N4 O -","- C160 H216 Cr4 N16 O4 -","4","1","","Connie C. Lu; Eckhard Bill; Thomas Weyhermüller; Eberhard Bothe; Karl Wieghardt","Neutral Bis(α-iminopyridine)metal Complexes of the First-Row Transition Ions (Cr, Mn, Fe, Co, Ni, Zn) and Their Monocationic Analogues: Mixed Valency Involving a Redox Noninnocent Ligand System","Journal of the American Chemical Society","2008","130","","3181","3197","10.1021/ja710663n","","","0.71073","MoKα","","0.0562","0.0383","","","0.0914","0.0999","","","","","","1.038","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107521","18.6955","0.0004","17.8857","0.0004","19.2902","0.0004","90","","90","","90","","6450.3","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C36 H44 Mn N4 -","- C36 H44 Mn N4 -","- C288 H352 Mn8 N32 -","8","2","","Connie C. Lu; Eckhard Bill; Thomas Weyhermüller; Eberhard Bothe; Karl Wieghardt","Neutral Bis(α-iminopyridine)metal Complexes of the First-Row Transition Ions (Cr, Mn, Fe, Co, Ni, Zn) and Their Monocationic Analogues: Mixed Valency Involving a Redox Noninnocent Ligand System","Journal of the American Chemical Society","2008","130","","3181","3197","10.1021/ja710663n","","","0.71073","MoKα","","0.0482","0.0362","","","0.0739","0.0789","","","","","","1.012","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107522","9.4383","0.0003","18.625","0.0006","18.2581","0.0006","90","","100.527","0.003","90","","3155.54","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H44 Fe N4 -","- C36 H44 Fe N4 -","- C144 H176 Fe4 N16 -","4","2","","Connie C. Lu; Eckhard Bill; Thomas Weyhermüller; Eberhard Bothe; Karl Wieghardt","Neutral Bis(α-iminopyridine)metal Complexes of the First-Row Transition Ions (Cr, Mn, Fe, Co, Ni, Zn) and Their Monocationic Analogues: Mixed Valency Involving a Redox Noninnocent Ligand System","Journal of the American Chemical Society","2008","130","","3181","3197","10.1021/ja710663n","","","0.71073","MoKα","","0.0627","0.0457","","","0.0976","0.1042","","","","","","1.03","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107523","9.3884","0.0003","18.4602","0.0006","18.3906","0.0006","90","","100.704","0.003","90","","3131.85","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H44 Co N4 -","- C36 H44 Co N4 -","- C144 H176 Co4 N16 -","4","2","","Connie C. Lu; Eckhard Bill; Thomas Weyhermüller; Eberhard Bothe; Karl Wieghardt","Neutral Bis(α-iminopyridine)metal Complexes of the First-Row Transition Ions (Cr, Mn, Fe, Co, Ni, Zn) and Their Monocationic Analogues: Mixed Valency Involving a Redox Noninnocent Ligand System","Journal of the American Chemical Society","2008","130","","3181","3197","10.1021/ja710663n","","","0.71073","MoKα","","0.0456","0.0349","","","0.0777","0.082","","","","","","1.013","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107524","10.084","0.0003","18.8318","0.0005","17.5447","0.0004","90","","102.104","0.003","90","","3257.67","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 N4 Ni -","- C36 H44 N4 Ni -","- C144 H176 N16 Ni4 -","4","1","","Connie C. Lu; Eckhard Bill; Thomas Weyhermüller; Eberhard Bothe; Karl Wieghardt","Neutral Bis(α-iminopyridine)metal Complexes of the First-Row Transition Ions (Cr, Mn, Fe, Co, Ni, Zn) and Their Monocationic Analogues: Mixed Valency Involving a Redox Noninnocent Ligand System","Journal of the American Chemical Society","2008","130","","3181","3197","10.1021/ja710663n","","","0.71073","MoKα","","0.0485","0.0362","","","0.0904","0.0973","","","","","","1.028","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107525","18.5855","0.0004","17.939","0.0004","19.2006","0.0004","90","","90","","90","","6401.6","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C36 H44 N4 Zn -","- C36 H44 N4 Zn -","- C288 H352 N32 Zn8 -","8","2","","Connie C. Lu; Eckhard Bill; Thomas Weyhermüller; Eberhard Bothe; Karl Wieghardt","Neutral Bis(α-iminopyridine)metal Complexes of the First-Row Transition Ions (Cr, Mn, Fe, Co, Ni, Zn) and Their Monocationic Analogues: Mixed Valency Involving a Redox Noninnocent Ligand System","Journal of the American Chemical Society","2008","130","","3181","3197","10.1021/ja710663n","","","0.71073","MoKα","","0.0638","0.0397","","","0.0743","0.0812","","","","","","1.034","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107526","12.7789","0.0004","29.4954","0.0009","18.8736","0.0006","90","","95.181","0.003","90","","7084.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H64 B Cr F24 N4 O -","- C72 H64 B Cr F24 N4 O -","- C288 H256 B4 Cr4 F96 N16 O4 -","4","1","","Connie C. Lu; Eckhard Bill; Thomas Weyhermüller; Eberhard Bothe; Karl Wieghardt","Neutral Bis(α-iminopyridine)metal Complexes of the First-Row Transition Ions (Cr, Mn, Fe, Co, Ni, Zn) and Their Monocationic Analogues: Mixed Valency Involving a Redox Noninnocent Ligand System","Journal of the American Chemical Society","2008","130","","3181","3197","10.1021/ja710663n","","","0.71073","MoKα","","0.1008","0.0603","","","0.1302","0.1508","","","","","","1.009","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107527","12.7681","0.0003","29.7624","0.0009","18.8399","0.0005","90","","94.691","0.003","90","","7135.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H64 B F24 Mn N4 O -","- C72 H64 B F24 Mn N4 O -","- C288 H256 B4 F96 Mn4 N16 O4 -","4","1","","Connie C. Lu; Eckhard Bill; Thomas Weyhermüller; Eberhard Bothe; Karl Wieghardt","Neutral Bis(α-iminopyridine)metal Complexes of the First-Row Transition Ions (Cr, Mn, Fe, Co, Ni, Zn) and Their Monocationic Analogues: Mixed Valency Involving a Redox Noninnocent Ligand System","Journal of the American Chemical Society","2008","130","","3181","3197","10.1021/ja710663n","","","0.71073","MoKα","","0.0787","0.0541","","","0.1296","0.1457","","","","","","1.007","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107528","12.7624","0.0002","29.4794","0.0004","18.9134","0.0003","90","","95.431","0.003","90","","7083.81","0.19","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H64 B F24 Fe N4 O -","- C72 H64 B F24 Fe N4 O -","- C288 H256 B4 F96 Fe4 N16 O4 -","4","1","","Connie C. Lu; Eckhard Bill; Thomas Weyhermüller; Eberhard Bothe; Karl Wieghardt","Neutral Bis(α-iminopyridine)metal Complexes of the First-Row Transition Ions (Cr, Mn, Fe, Co, Ni, Zn) and Their Monocationic Analogues: Mixed Valency Involving a Redox Noninnocent Ligand System","Journal of the American Chemical Society","2008","130","","3181","3197","10.1021/ja710663n","","","0.71073","MoKα","","0.0582","0.0515","","","0.1309","0.137","","","","","","1.021","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107529","12.8349","0.0002","29.9514","0.0005","18.9948","0.0003","90","","94.795","0.003","90","","7276.5","0.2","220","2","220","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H64 B F24 Fe N4 O -","- C72 H64 B F24 Fe N4 O -","- C288 H256 B4 F96 Fe4 N16 O4 -","4","1","","Connie C. Lu; Eckhard Bill; Thomas Weyhermüller; Eberhard Bothe; Karl Wieghardt","Neutral Bis(α-iminopyridine)metal Complexes of the First-Row Transition Ions (Cr, Mn, Fe, Co, Ni, Zn) and Their Monocationic Analogues: Mixed Valency Involving a Redox Noninnocent Ligand System","Journal of the American Chemical Society","2008","130","","3181","3197","10.1021/ja710663n","","","0.71073","MoKα","","0.0834","0.0646","","","0.1656","0.1807","","","","","","1.022","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107530","12.7059","0.0004","29.3218","0.0011","18.9079","0.0005","90","","95.674","0.003","90","","7009.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H64 B Co F24 N4 O -","- C72 H64 B Co F24 N4 O -","- C288 H256 B4 Co4 F96 N16 O4 -","4","1","","Connie C. Lu; Eckhard Bill; Thomas Weyhermüller; Eberhard Bothe; Karl Wieghardt","Neutral Bis(α-iminopyridine)metal Complexes of the First-Row Transition Ions (Cr, Mn, Fe, Co, Ni, Zn) and Their Monocationic Analogues: Mixed Valency Involving a Redox Noninnocent Ligand System","Journal of the American Chemical Society","2008","130","","3181","3197","10.1021/ja710663n","","","0.71073","MoKα","","0.0773","0.0504","","","0.1103","0.1231","","","","","","1.031","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107531","12.7517","0.0005","29.4819","0.0011","18.8847","0.0008","90","","95.573","0.003","90","","7066","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H64 B F24 N4 Ni O -","- C72 H64 B F24 N4 Ni O -","- C288 H256 B4 F96 N16 Ni4 O4 -","4","1","","Connie C. Lu; Eckhard Bill; Thomas Weyhermüller; Eberhard Bothe; Karl Wieghardt","Neutral Bis(α-iminopyridine)metal Complexes of the First-Row Transition Ions (Cr, Mn, Fe, Co, Ni, Zn) and Their Monocationic Analogues: Mixed Valency Involving a Redox Noninnocent Ligand System","Journal of the American Chemical Society","2008","130","","3181","3197","10.1021/ja710663n","","","0.71073","MoKα","","0.0783","0.056","","","0.1254","0.1379","","","","","","1.036","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107532","12.8399","0.0004","29.4188","0.0007","18.7498","0.0004","90","","95.159","0.003","90","","7053.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H64 B F24 N4 O Zn -","- C72 H64 B F24 N4 O Zn -","- C288 H256 B4 F96 N16 O4 Zn4 -","4","1","","Connie C. Lu; Eckhard Bill; Thomas Weyhermüller; Eberhard Bothe; Karl Wieghardt","Neutral Bis(α-iminopyridine)metal Complexes of the First-Row Transition Ions (Cr, Mn, Fe, Co, Ni, Zn) and Their Monocationic Analogues: Mixed Valency Involving a Redox Noninnocent Ligand System","Journal of the American Chemical Society","2008","130","","3181","3197","10.1021/ja710663n","","","0.71073","MoKα","","0.0794","0.0501","","","0.1095","0.1231","","","","","","1.007","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107533","11.6501","0.0015","21.343","0.003","18.28","0.002","90","","99.423","0.002","90","","4484","1","141","2","141","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 I2 N2 O2 P2 U -","- C46 H34 I2 N2 O2 P2 U -","- C184 H136 I8 N8 O8 P8 U4 -","4","1","","Liam P. Spencer; Ping Yang; Brian L. Scott; Enrique R. Batista; James M. Boncella","Imido Exchange in Bis(imido) Uranium(VI) Complexes with Aryl Isocyanates","Journal of the American Chemical Society","2008","130","","2930","2931","10.1021/ja7107454","","","0.71073","MoKα","","0.0864","0.0578","","","0.1464","0.1601","","","","","","1.336","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107534","10.7202","0.0019","11.445","0.002","12.29","0.002","97.471","0.002","112.773","0.002","101.48","0.002","1326.3","0.4","141","2","141","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H54 Cl2 I2 N2 O2 P2 U -","- C54 H52 I2 N2 O2 P2 U -","- C54 H52 I2 N2 O2 P2 U -","1","0.5","","Liam P. Spencer; Ping Yang; Brian L. Scott; Enrique R. Batista; James M. Boncella","Imido Exchange in Bis(imido) Uranium(VI) Complexes with Aryl Isocyanates","Journal of the American Chemical Society","2008","130","","2930","2931","10.1021/ja7107454","","","0.71073","MoKα","","0.0605","0.0419","","","0.1101","0.1413","","","","","","0.893","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107535","5.9037","0.0006","12.2672","0.0002","17.4319","0.001","90","","90","","90","","1262.45","0.15","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cl O3 -","- C15 H11 Cl O3 -","- C60 H44 Cl4 O12 -","4","1","","Zengming Shen; Hasan A. Khan; Vy M. Dong","Rh-Catalyzed Carbonyl Hydroacylation: An Enantioselective Approach to Lactones","Journal of the American Chemical Society","2008","130","","2916","2917","10.1021/ja7109025","","","0.71073","MoKα","","0.062","0.04","","","0.0904","0.1021","","","","","","1.045","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107536","13.735","0.003","5.6069","0.0011","16.015","0.003","90","","93.98","0.03","90","","1230.4","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Yang Li; Datong Song; Vy M. Dong","Palladium-Catalyzed Olefin Dioxygenation","Journal of the American Chemical Society","2008","130","","2962","2964","10.1021/ja711029u","","","0.71073","MoKα","","0.1159","0.0727","","","0.1778","0.2172","","","","","","1.026","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107537","11.5021","0.0005","13.2108","0.0009","20.0315","0.0013","99.997","0.005","91.157","0.004","114.8","0.005","2706.4","0.3","278","1","278","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H58 Co7 Cs2 O49 -","- C24 H16 Co7 Cs2 O49 -","- C48 H32 Co14 Cs4 O98 -","2","1","","Javier Campo; Larry R. Falvello; Isabel Mayoral; Fernando Palacio; Tatiana Soler; Milagros Tomás","Reversible Single-Crystal-to-Single-Crystal Cross-Linking of a Ribbon of Cobalt Citrate Cubanes To Form a 2D Net","Journal of the American Chemical Society","2008","130","","2932","2933","10.1021/ja711040s","","","0.71073","MoKα","","0.122","0.0584","","","0.1456","0.1576","","","","","","0.973","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107538","11.405","0.0005","13.0515","0.0009","18.4855","0.0009","101.734","0.005","95.682","0.004","115.79","0.005","2370.3","0.3","303","1","303","1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H86 Co14 Cs4 O83 -","- C48 H32 Co14 Cs4 O83 -","- C48 H32 Co14 Cs4 O83 -","1","0.5","","Javier Campo; Larry R. Falvello; Isabel Mayoral; Fernando Palacio; Tatiana Soler; Milagros Tomás","Reversible Single-Crystal-to-Single-Crystal Cross-Linking of a Ribbon of Cobalt Citrate Cubanes To Form a 2D Net","Journal of the American Chemical Society","2008","130","","2932","2933","10.1021/ja711040s","","","0.71073","MoKα","","0.1377","0.086","","","0.1944","0.2174","","","","","","1.095","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107539","12.352","0.003","18.73","0.005","13.332","0.004","90","","107.041","0.01","90","","2949","1.4","296.1","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H45 B Cl N O P2 Pd -","- C24 H45 B Cl N O P2 Pd -","- C96 H180 B4 Cl4 N4 O4 P8 Pd4 -","4","1","","Masaki Daini; Akihiko Yamamoto; Michinori Suginome","Palladium-Catalyzed trans- and cis-Carboboration of Alkynes Tethered to Chloroborane with Organozirconium Reagents: Ligand-Dependent Complementary Stereoselectivity","Journal of the American Chemical Society","2008","130","","2918","2919","10.1021/ja711160h","","","0.71075","MoKα","","","0.0248","","","","0.0266","","","","","","2.319","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107540","25.278","0.006","25.278","0.006","86.34","0.04","90","","90","","120","","47778","3","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","bis[di{(\±)-2,7,12-trimethoxy-3,8,13-tris (4-[4'-methyl-2,2'-bipyridyl]benzyloxy) -10,15-dihydro-5H-tribenzo[a,d,g]cyclononene}trinitrodizinc(II)] nitrate dimethylsulfoxide clathrate","","- C120 H108 N18 O30 Zn3 -","- C120 H108 N15 O21 Zn3 -","- C1440 H1296 N180 O252 Zn36 -","12","0.333333","","Aleema Westcott; Julie Fisher; Lindsay P. Harding; Pierre Rizkallah; Michaele J. Hardie","Self-Assembly of a 3-D Triply Interlocked Chiral [2]Catenane","Journal of the American Chemical Society","2008","130","","2950","2951","10.1021/ja8002149","","","0.7972","synchrotron","","0.1522","0.1","","","0.2731","0.3044","","","","","","1.023","","","","has coordinates","270822","2021-11-23","08:35:34",""
"4107541","8.7677","0.0012","11.3403","0.0015","13.3801","0.0019","65.288","0.015","88.908","0.017","76.609","0.016","1171.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(BDT-TTP)2[Re6S5Cl9]","bis (2,5-bis(1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalenium) penta-μ~eq~3-sulfido-tri-μ~eq~3-chloro-hexachloro-octahedro- hexarhenate(III)","","- C20 H8 Cl9 Re6 S21 -","- C20 H8 Cl8 Re6 S22 -","- C20 H8 Cl8 Re6 S22 -","1","0.5","","Sandrine Perruchas; Kamal Boubekeur; Enric Canadell; Yohji Misaki; Pascale Auban-Senzier; Claude Pasquier; Patrick Batail","Modulating the Framework Negative Charge Density in the System [BDT-TTP.+]/[Re6S5Cl91-]/[Re6(S/Se)6Cl82-]/[Re6S7Cl73-]: Templating by Isosteric Cluster Anions of Identical Symmetry and Shape, Variations of Incommensurate Band Filling, and Electronic Structure in 2D Metals","Journal of the American Chemical Society","2008","130","","3335","3348","10.1021/ja074774s","","","0.71073","MoKα","","0.0512","0.0421","","","0.0983","0.1007","","","","","","0.956","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107542","11.3494","0.0009","12.6428","0.0009","22.2207","0.0018","94.097","0.009","100.051","0.01","114.099","0.008","2829.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.33 H10 Cl4.67 Re2 S16 Se2 -","- C21.3333 H10 Cl4.66667 Re2 S16 Se2 -","- C64 H30 Cl14 Re6 S48 Se6 -","3","1.5","","Sandrine Perruchas; Kamal Boubekeur; Enric Canadell; Yohji Misaki; Pascale Auban-Senzier; Claude Pasquier; Patrick Batail","Modulating the Framework Negative Charge Density in the System [BDT-TTP.+]/[Re6S5Cl91-]/[Re6(S/Se)6Cl82-]/[Re6S7Cl73-]: Templating by Isosteric Cluster Anions of Identical Symmetry and Shape, Variations of Incommensurate Band Filling, and Electronic Structure in 2D Metals","Journal of the American Chemical Society","2008","130","","3335","3348","10.1021/ja074774s","","","0.71073","MoKα","","0.0875","0.038","","","0.0729","0.0804","","","","","","0.777","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107543","11.4947","0.0011","12.7948","0.0011","22.1584","0.0018","94.162","0.01","100.039","0.01","114.313","0.01","2886.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H30 Cl14 Re6 S42 Se12 -","- C64 H30 Cl14 Re6 S42 Se12 -","- C64 H30 Cl14 Re6 S42 Se12 -","1","0.5","","Sandrine Perruchas; Kamal Boubekeur; Enric Canadell; Yohji Misaki; Pascale Auban-Senzier; Claude Pasquier; Patrick Batail","Modulating the Framework Negative Charge Density in the System [BDT-TTP.+]/[Re6S5Cl91-]/[Re6(S/Se)6Cl82-]/[Re6S7Cl73-]: Templating by Isosteric Cluster Anions of Identical Symmetry and Shape, Variations of Incommensurate Band Filling, and Electronic Structure in 2D Metals","Journal of the American Chemical Society","2008","130","","3335","3348","10.1021/ja074774s","","","0.71073","MoKα","","0.0881","0.0373","","","0.0785","0.0875","","","","","","0.785","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107544","11.5401","0.0012","13.4522","0.0014","22.28","0.002","74.815","0.012","80.498","0.012","81.427","0.013","3271.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(BDT-TTP)7(Re6S6Cl8)0.5(Re6S7Cl7)0.5(CH2Cl2)","heptakis (2,5-bis(1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalenium) hemi (hexa-μ~eq~3-sulfido-di-μ~eq~3-chloro-hexachloro-octahedro- hexarhenate(III)) hemi (hepta-μ~eq~3-sulfido-mono-μ~eq~3-chloro- hexachloro-octahedro-hexarhenate(III)) dichloromethane solvate","","- C71 H30 Cl8 Re6 S64 -","- C71.02 H30.04 Cl8 Re6 S64 -","- C71.02 H30.04 Cl8 Re6 S64 -","1","0.5","","Sandrine Perruchas; Kamal Boubekeur; Enric Canadell; Yohji Misaki; Pascale Auban-Senzier; Claude Pasquier; Patrick Batail","Modulating the Framework Negative Charge Density in the System [BDT-TTP.+]/[Re6S5Cl91-]/[Re6(S/Se)6Cl82-]/[Re6S7Cl73-]: Templating by Isosteric Cluster Anions of Identical Symmetry and Shape, Variations of Incommensurate Band Filling, and Electronic Structure in 2D Metals","Journal of the American Chemical Society","2008","130","","3335","3348","10.1021/ja074774s","","","0.71073","MoKα","","0.0753","0.0395","","","0.1004","0.1063","","","","","","0.944","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107545","11.565","0.0012","13.4175","0.0015","22.334","0.002","74.967","0.012","80.415","0.012","81.408","0.013","3279.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(BDT-TTP)7(Re6Se6Cl8)0.35(Re6S7Cl7)0.65(CH2Cl2)","heptakis (2,5-bis(1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalenium) hemi (hexa-μ~eq~3-selenido-di-μ~eq~3-chloro-hexachloro-octahedro- hexarhenate(III)) hemi (hepta-μ~eq~3-sulfido-mono-μ~eq~3-chloro- hexachloro-octahedro-hexarhenate(III)) dichloromethane solvate","","- C71 H30 Cl14 Re6 S56 Se2 -","- C71 H30 Cl13.68 Re6 S56 Se2.298 -","- C71 H30 Cl13.68 Re6 S56 Se2.298 -","1","0.5","","Sandrine Perruchas; Kamal Boubekeur; Enric Canadell; Yohji Misaki; Pascale Auban-Senzier; Claude Pasquier; Patrick Batail","Modulating the Framework Negative Charge Density in the System [BDT-TTP.+]/[Re6S5Cl91-]/[Re6(S/Se)6Cl82-]/[Re6S7Cl73-]: Templating by Isosteric Cluster Anions of Identical Symmetry and Shape, Variations of Incommensurate Band Filling, and Electronic Structure in 2D Metals","Journal of the American Chemical Society","2008","130","","3335","3348","10.1021/ja074774s","","","0.71073","MoKα","","0.089","0.0445","","","0.1174","0.1275","","","","","","0.893","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107546","12.6684","0.0011","13.9149","0.0013","21.533","0.002","73.653","0.011","81.648","0.011","78.566","0.01","3553.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(BDT-TTP)8[Re6S7Cl7].4(CH2Cl2)","octakis (2,5-bis(1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalenium) hepta-μ~eq~3-sulfido-mono-μ~eq~3-chloro-hexachloro-octahedro- hexarhenate(III) tetrakis dichloromethane solvate","","- C84 H40 Cl15 Re6 S71 -","- C84 H40 Cl14 Re6 S72 -","- C84 H40 Cl14 Re6 S72 -","1","0.5","","Sandrine Perruchas; Kamal Boubekeur; Enric Canadell; Yohji Misaki; Pascale Auban-Senzier; Claude Pasquier; Patrick Batail","Modulating the Framework Negative Charge Density in the System [BDT-TTP.+]/[Re6S5Cl91-]/[Re6(S/Se)6Cl82-]/[Re6S7Cl73-]: Templating by Isosteric Cluster Anions of Identical Symmetry and Shape, Variations of Incommensurate Band Filling, and Electronic Structure in 2D Metals","Journal of the American Chemical Society","2008","130","","3335","3348","10.1021/ja074774s","","","0.71073","MoKα","","0.0708","0.0484","","","0.1449","0.1521","","","","","","1.078","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107547","10.044","0.0001","14.0914","0.0001","14.4291","0.0002","67.055","0.001","87.208","0.001","84.651","0.001","1872.27","0.04","295","2","295","2","","","","","","","","7","P -1","-P 1","2","3","","","- C36 H32 F10 Ir N6 O P -","- C36 H32 F10 Ir N6 O P -","- C72 H64 F20 Ir2 N12 O2 P2 -","2","1","","Hai-Ching Su; Hsiao-Fan Chen; Fu-Chuan Fang; Chih-Che Liu; Chung-Chih Wu; Ken-Tsung Wong; Yi-Hung Liu; Shie-Ming Peng","Solid-State White Light-Emitting Electrochemical Cells Using Iridium-Based Cationic Transition Metal Complexes","Journal of the American Chemical Society","2008","130","","3413","3419","10.1021/ja076051e","","","0.71073","MoKα","","0.0388","0.0339","","","0.0893","0.0955","","","","","","1.092","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107548","13.91","0.0002","13.0166","0.0002","19.9665","0.0004","90","","107.872","0.001","90","","3440.7","0.1","295","2","295","2","","","","","","","","6","C 1 c 1","C -2yc","9","4","","","- C40 H28 F6 Ir N4 P -","- C40 H28 F6 Ir N4 P -","- C160 H112 F24 Ir4 N16 P4 -","4","1","","Hai-Ching Su; Hsiao-Fan Chen; Fu-Chuan Fang; Chih-Che Liu; Chung-Chih Wu; Ken-Tsung Wong; Yi-Hung Liu; Shie-Ming Peng","Solid-State White Light-Emitting Electrochemical Cells Using Iridium-Based Cationic Transition Metal Complexes","Journal of the American Chemical Society","2008","130","","3413","3419","10.1021/ja076051e","","","0.71073","MoKα","","0.0531","0.0417","","","0.0989","0.1162","","","","","","1.14","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107549","7.4797","0.0004","11.3176","0.0005","19.4469","0.0008","90","","102.229","0.003","90","","1608.87","0.13","296.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O2 S -","- C18 H23 N O2 S -","- C72 H92 N4 O8 S4 -","4","1","","Takanori Shibata; Yu-ki Tahara; Kohei Tamura; Kohei Endo","Enantioselective Syntheses of Various Chiral Multicyclic Compounds with Quaternary Carbon Stereocenters by Catalytic Intramolecular Cycloaddition","Journal of the American Chemical Society","2008","130","","3451","3457","10.1021/ja0762083","","","1.54187","CuKα","","","0.0647","","","","0.1599","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107550","11.9248","0.0018","18.516","0.003","19.469","0.003","63.644","0.004","76.885","0.003","71.259","0.003","3629.6","1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[Cu(PNP)-(PNP)Cu]2+","","","- C68 H96 B2 Cl2 Cu2 F8 N2 P4 -","- C68 H96 B2 Cl2 Cu2 F8 N2 P4 -","- C136 H192 B4 Cl4 Cu4 F16 N4 P8 -","2","1","","Seth B. Harkins; Neal P. Mankad; Alexander J. M. Miller; Robert K. Szilagyi; Jonas C. Peters","Probing the Electronic Structures of [Cu2(μ-XR2)]n+ Diamond Cores as a Function of the Bridging X Atom (X = N or P) and Charge (n= 0, 1, 2)","Journal of the American Chemical Society","2008","130","","3478","3485","10.1021/ja076537v","","","0.71073","MoKα","","0.1866","0.0928","","","0.2405","0.298","","","","","","0.961","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107551","23.078","0.002","18.2536","0.0018","19.151","0.002","90","","94.816","0.002","90","","8039","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{(PNP-2)Cu}2","","","- C80 H136 Cu2 N2 O2 P4 -","- C80 H136 Cu2 N2 O2 P4 -","- C320 H544 Cu8 N8 O8 P16 -","4","1","","Seth B. Harkins; Neal P. Mankad; Alexander J. M. Miller; Robert K. Szilagyi; Jonas C. Peters","Probing the Electronic Structures of [Cu2(μ-XR2)]n+ Diamond Cores as a Function of the Bridging X Atom (X = N or P) and Charge (n= 0, 1, 2)","Journal of the American Chemical Society","2008","130","","3478","3485","10.1021/ja076537v","","x-ray","0.71073","MoKα","","0.1644","0.0594","","","0.1007","0.1209","","","","","","1.006","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107552","19.101","0.003","21.849","0.003","20.734","0.005","90","","90.717","0.014","90","","8652","3","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","[{(PNP2)Cu}2][SbF6]2, 2 CH2Cl2","","","- C74 H124 Cl4 Cu2 F12 N2 P4 Sb2 -","- C74 H124 Cl4 Cu2 F12 N2 P4 Sb2 -","- C296 H496 Cl16 Cu8 F48 N8 P16 Sb8 -","4","1","","Seth B. Harkins; Neal P. Mankad; Alexander J. M. Miller; Robert K. Szilagyi; Jonas C. Peters","Probing the Electronic Structures of [Cu2(μ-XR2)]n+ Diamond Cores as a Function of the Bridging X Atom (X = N or P) and Charge (n= 0, 1, 2)","Journal of the American Chemical Society","2008","130","","3478","3485","10.1021/ja076537v","","x-ray","0.71073","MoKα","","0.1041","0.0532","","","0.0963","0.1085","","","","","","1.179","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107553","15.8951","0.0008","14.5628","0.0008","18.0542","0.001","90","","92.806","0.002","90","","4174.1","0.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","{(PNP)Cu}2{SbF6}","","","- C72 H120 Cl Cu2 F6 N2 P4 Sb -","- C74 H124 Cl4 Cu1.9744 F6 N2.061 P4 Sb -","- C148 H248 Cl8 Cu3.9488 F12 N4.122 P8 Sb2 -","2","1","","Seth B. Harkins; Neal P. Mankad; Alexander J. M. Miller; Robert K. Szilagyi; Jonas C. Peters","Probing the Electronic Structures of [Cu2(μ-XR2)]n+ Diamond Cores as a Function of the Bridging X Atom (X = N or P) and Charge (n= 0, 1, 2)","Journal of the American Chemical Society","2008","130","","3478","3485","10.1021/ja076537v","","","0.71073","MoKα","","0.0915","0.0615","","","0.0913","0.0949","","","","","","1.581","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107554","6.1938","0.0008","10.7636","0.0014","19.644","0.003","90","","91.99","0.003","90","","1308.8","0.3","143","1","143","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H38 O7 -","- C27 H38 O7 -","- C54 H76 O14 -","2","1","","Hongmei Li; Patrick J. Carroll; Patrick J. Walsh","Generation and Tandem Reactions of 1-Alkenyl-1,1-Heterobimetallics: Practical and Versatile Reagents for Organic Synthesis","Journal of the American Chemical Society","2008","130","","3521","3531","10.1021/ja077664u","","","0.71069","MoKα","","0.0556","0.0351","","","0.0606","0.0711","","","","","","0.769","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107555","8.7021","0.0015","9.4331","0.0015","10.3597","0.0018","90","","105.999","0.004","90","","817.5","0.2","143","1","143","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C38 H44 O6 -","2","1","","Hongmei Li; Patrick J. Carroll; Patrick J. Walsh","Generation and Tandem Reactions of 1-Alkenyl-1,1-Heterobimetallics: Practical and Versatile Reagents for Organic Synthesis","Journal of the American Chemical Society","2008","130","","3521","3531","10.1021/ja077664u","","","0.71069","MoKα","","0.0437","0.0302","","","0.0596","0.0636","","","","","","0.859","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107556","6.4508","0.0013","14.332","0.003","38.051","0.008","90","","90","","90","","3517.9","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br N2 O -","- C21 H21 Br N2 O -","- C168 H168 Br8 N16 O8 -","8","2","","Robert T. Yu; Tomislav Rovis","Asymmetric Synthesis of Bicyclic Amidines via Rhodium-Catalyzed [2+2+2] Cycloaddition of Carbodiimides","Journal of the American Chemical Society","2008","130","","3262","3263","10.1021/ja710065h","","","0.71073","MoKα","","0","0.0705","","","0.1039","0.1405","","","","","","0.923","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107557","18.888","0.003","13.641","0.002","21.276","0.004","90","","113.504","0.002","90","","5027","1.4","123.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C55 H75 Cl Fe2 N P2 Rh -","- C55 H75 Cl Fe2 N P2 Rh -","- C220 H300 Cl4 Fe8 N4 P8 Rh4 -","4","1","","Denise A. Colby; Robert G. Bergman; Jonathan A. Ellman","Synthesis of Dihydropyridines and Pyridines from Imines and Alkynes via C-H Activation","Journal of the American Chemical Society","2008","130","","3645","3651","10.1021/ja7104784","","","0.7107","MoKα","","0.0866","0.0404","","0.053","","0.0433","","","","","","1.27","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107558","9.0412","0.0002","14.243","0.0003","15.6092","0.0004","90","","105.103","0.001","90","","1940.63","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 N O W -","- C19 H33 N O W -","- C76 H132 N4 O4 W4 -","4","1","","Jenkins Y. K. Tsang; Miriam S. A. Buschhaus; Peter M. Graham; Christopher J. Semiao; Scott P. Semproni; Simon J. Kim; Peter Legzdins","Facile and Selective Aliphatic C-H Bond Activation at Ambient Temperatures Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCHMe)","Journal of the American Chemical Society","2008","130","","3652","3663","10.1021/ja710606v","","","0.71073","MoKα","","0.0222","0.0178","","","0.0411","0.0423","","","","","","1.08","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107559","8.9209","0.0005","18.9252","0.0009","11.3669","0.0006","90","","90.286","0.003","90","","1919.05","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H33 N O W -","- C19 H33 N O W -","- C76 H132 N4 O4 W4 -","4","1","","Jenkins Y. K. Tsang; Miriam S. A. Buschhaus; Peter M. Graham; Christopher J. Semiao; Scott P. Semproni; Simon J. Kim; Peter Legzdins","Facile and Selective Aliphatic C-H Bond Activation at Ambient Temperatures Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCHMe)","Journal of the American Chemical Society","2008","130","","3652","3663","10.1021/ja710606v","","","0.71073","MoKα","","0.0316","0.0232","","","0.0495","0.0526","","","","","","1.038","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107560","8.1936","0.0004","15.3514","0.0008","14.9078","0.0007","90","","90.02","0.001","90","","1875.15","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H30 N O P W -","- C17 H30 N O P W -","- C68 H120 N4 O4 P4 W4 -","4","1","","Jenkins Y. K. Tsang; Miriam S. A. Buschhaus; Peter M. Graham; Christopher J. Semiao; Scott P. Semproni; Simon J. Kim; Peter Legzdins","Facile and Selective Aliphatic C-H Bond Activation at Ambient Temperatures Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCHMe)","Journal of the American Chemical Society","2008","130","","3652","3663","10.1021/ja710606v","","","0.71073","MoKα","","0.0284","0.0216","","","0.051","0.0536","","","","","","1.014","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107561","11.7746","0.0016","9.4294","0.0013","14.829","0.002","90","","99.83","0.007","90","","1622.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H27 N O W -","- C16 H27 N O W -","- C64 H108 N4 O4 W4 -","4","1","","Jenkins Y. K. Tsang; Miriam S. A. Buschhaus; Peter M. Graham; Christopher J. Semiao; Scott P. Semproni; Simon J. Kim; Peter Legzdins","Facile and Selective Aliphatic C-H Bond Activation at Ambient Temperatures Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCHMe)","Journal of the American Chemical Society","2008","130","","3652","3663","10.1021/ja710606v","","","0.71073","MoKα","","0.032","0.0211","","","0.0457","0.0498","","","","","","1.064","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107562","9.2125","0.0008","14.4236","0.0012","14.8434","0.0003","90","","107.809","0.004","90","","1877.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 N O2 W -","- C19 H31 N O2 W -","- C76 H124 N4 O8 W4 -","4","1","","Jenkins Y. K. Tsang; Miriam S. A. Buschhaus; Peter M. Graham; Christopher J. Semiao; Scott P. Semproni; Simon J. Kim; Peter Legzdins","Facile and Selective Aliphatic C-H Bond Activation at Ambient Temperatures Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCHMe)","Journal of the American Chemical Society","2008","130","","3652","3663","10.1021/ja710606v","","","0.71073","MoKα","","0.0309","0.0256","","","0.0665","0.0694","","","","","","1.059","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107563","10.2949","0.0009","12.0055","0.0013","13.5878","0.0014","90","","98.512","0.005","90","","1660.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 N O W -","- C18 H27 N O W -","- C72 H108 N4 O4 W4 -","4","1","","Jenkins Y. K. Tsang; Miriam S. A. Buschhaus; Peter M. Graham; Christopher J. Semiao; Scott P. Semproni; Simon J. Kim; Peter Legzdins","Facile and Selective Aliphatic C-H Bond Activation at Ambient Temperatures Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCHMe)","Journal of the American Chemical Society","2008","130","","3652","3663","10.1021/ja710606v","","","0.71073","MoKα","","0.0215","0.0186","","","0.0446","0.0464","","","","","","1.063","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107564","30.129","0.003","9.0268","0.0009","17.0499","0.0013","90","","108.735","0.003","90","","4391.3","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H37 N O1.5 W -","- C22 H37 N O1.5 W -","- C176 H296 N8 O12 W8 -","8","1","","Jenkins Y. K. Tsang; Miriam S. A. Buschhaus; Peter M. Graham; Christopher J. Semiao; Scott P. Semproni; Simon J. Kim; Peter Legzdins","Facile and Selective Aliphatic C-H Bond Activation at Ambient Temperatures Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCHMe)","Journal of the American Chemical Society","2008","130","","3652","3663","10.1021/ja710606v","","","0.71073","MoKα","","0.053","0.0322","","","0.0726","0.0827","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107565","8.7093","0.0003","13.8379","0.0005","15.7822","0.0006","90","","90","","90","","1902.05","0.12","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O W -","- C21 H29 N O W -","- C84 H116 N4 O4 W4 -","4","1","","Jenkins Y. K. Tsang; Miriam S. A. Buschhaus; Peter M. Graham; Christopher J. Semiao; Scott P. Semproni; Simon J. Kim; Peter Legzdins","Facile and Selective Aliphatic C-H Bond Activation at Ambient Temperatures Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCHMe)","Journal of the American Chemical Society","2008","130","","3652","3663","10.1021/ja710606v","","","0.71073","MoKα","","0.0364","0.0273","","","0.0553","0.0581","","","","","","1.087","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107566","19.183","0.006","11.709","0.004","14.676","0.003","90","","110.738","0.008","90","","3082.9","1.6","128","2","128","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Cl N Ni O P2 -","- C30 H48 Cl N Ni O P2 -","- C120 H192 Cl4 N4 Ni4 O4 P8 -","4","1","","Debashis Adhikari; Susanne Mossin; Falguni Basuli; John C. Huffman; Robert K. Szilagyi; Karsten Meyer; Daniel J. Mindiola","Structural, Spectroscopic, and Theoretical Elucidation of a Redox-Active Pincer-Type Ancillary Applied in Catalysis","Journal of the American Chemical Society","2008","130","","3676","3682","10.1021/ja7108486","","","0.71073","MoKα","","0.0549","0.0334","","","0.0646","0.0695","","","","","","0.82","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107567","16.1813","0.0017","11.1442","0.001","15.5555","0.0016","90","","106.818","0.002","90","","2685.1","0.5","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Cl N Ni P2 -","- C26 H40 Cl N Ni P2 -","- C104 H160 Cl4 N4 Ni4 P8 -","4","1","","Debashis Adhikari; Susanne Mossin; Falguni Basuli; John C. Huffman; Robert K. Szilagyi; Karsten Meyer; Daniel J. Mindiola","Structural, Spectroscopic, and Theoretical Elucidation of a Redox-Active Pincer-Type Ancillary Applied in Catalysis","Journal of the American Chemical Society","2008","130","","3676","3682","10.1021/ja7108486","","","0.71073","MoKα","","0.0594","0.0376","","","0.0786","0.0845","","","","","","0.891","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107568","10.9057","0.0009","18.8042","0.0015","14.79","0.0011","90","","92.51","0.002","90","","3030.1","0.4","132","2","132","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 Cl F3 N Ni O3 P2 S -","- C27 H40 Cl F3 N Ni O3 P2 S -","- C108 H160 Cl4 F12 N4 Ni4 O12 P8 S4 -","4","1","","Debashis Adhikari; Susanne Mossin; Falguni Basuli; John C. Huffman; Robert K. Szilagyi; Karsten Meyer; Daniel J. Mindiola","Structural, Spectroscopic, and Theoretical Elucidation of a Redox-Active Pincer-Type Ancillary Applied in Catalysis","Journal of the American Chemical Society","2008","130","","3676","3682","10.1021/ja7108486","","","0.71073","MoKα","","0.0618","0.0338","","","0.0626","0.068","","","","","","0.806","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107569","8.0105","0.0007","10.8432","0.0009","13.9873","0.0012","108.915","0.001","97.109","0.001","101.647","0.001","1101.94","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cl N O4 -","- C26 H20 Cl N O4 -","- C52 H40 Cl2 N2 O8 -","2","1","","Johanna R. Perkins; Rich G. Carter","Synthesis of Programmable Tetra-ortho-Substituted Biaryl Compounds Using Diels-Alder Cycloadditions/Cycloreversions of Disubstituted Alkynyl Stannanes","Journal of the American Chemical Society","2008","130","","3290","3291","10.1021/ja7113486","","","0.71073","MoKα","","0.0542","0.0461","","","0.1119","0.1181","","","","","","1.034","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107570","4.03533","0.00004","4.03533","0.00004","8.7409","0.00009","90","","90","","90","","142.336","0.002","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- As Fe La O -","- As Fe La O -","- As2 Fe2 La2 O2 -","2","0.125","","Yoichi Kamihara; Takumi Watanabe; Masahiro Hirano; Hideo Hosono","Iron-Based Layered Superconductor La[O1-xFx]FeAs (x = 0.05-0.12) with Tc = 26 K","Journal of the American Chemical Society","2008","130","","3296","3297","10.1021/ja800073m","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107571","12.6342","0.001","11.5762","0.0009","14.1871","0.0011","90","","113.475","0.001","90","","1903.2","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 B2 N4 -","- C42 H50 B2 N4 -","- C84 H100 B4 N8 -","2","0.5","","Yuzhong Wang; Brandon Quillian; Pingrong Wei; Yaoming Xie; Chaitanya S. Wannere; R. Bruce King; Henry F. Schaefer; Paul V. R. Schleyer; Gregory H. Robinson","Planar, Twisted, and Trans-Bent: Conformational Flexibility of Neutral Diborenes","Journal of the American Chemical Society","2008","130","","3298","3299","10.1021/ja800257j","","","0.71073","MoKα","","0.1108","0.0683","","","0.2029","0.2393","","","","","","1.031","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107572","8.5126","0.0006","13.0601","0.0009","17.4722","0.0012","87.714","0.001","85.218","0.001","84.179","0.001","1924.8","0.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H50 B2 N4 -","- C42 H50 B2 N4 -","- C84 H100 B4 N8 -","2","1","","Yuzhong Wang; Brandon Quillian; Pingrong Wei; Yaoming Xie; Chaitanya S. Wannere; R. Bruce King; Henry F. Schaefer; Paul V. R. Schleyer; Gregory H. Robinson","Planar, Twisted, and Trans-Bent: Conformational Flexibility of Neutral Diborenes","Journal of the American Chemical Society","2008","130","","3298","3299","10.1021/ja800257j","","","0.71073","MoKα","","0.0962","0.0631","","","0.1782","0.2075","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107573","12.7212","0.0019","11.4045","0.0017","14.332","0.002","90","","114.377","0.002","90","","1893.9","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 B2 N4 -","- C42 H50 B2 N4 -","- C84 H100 B4 N8 -","2","0.5","","Yuzhong Wang; Brandon Quillian; Pingrong Wei; Yaoming Xie; Chaitanya S. Wannere; R. Bruce King; Henry F. Schaefer; Paul V. R. Schleyer; Gregory H. Robinson","Planar, Twisted, and Trans-Bent: Conformational Flexibility of Neutral Diborenes","Journal of the American Chemical Society","2008","130","","3298","3299","10.1021/ja800257j","","","0.71073","MoKα","","0.1136","0.0692","","","0.1982","0.2393","","","","","","1.027","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107574","32.1297","0.0019","10.7328","0.0006","23.9977","0.0015","90","","102.22","0.001","90","","8087.9","0.8","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 B2 N4 -","- C42 H52 B2 N4 -","- C336 H416 B16 N32 -","8","1","","Yuzhong Wang; Brandon Quillian; Pingrong Wei; Yaoming Xie; Chaitanya S. Wannere; R. Bruce King; Henry F. Schaefer; Paul V. R. Schleyer; Gregory H. Robinson","Planar, Twisted, and Trans-Bent: Conformational Flexibility of Neutral Diborenes","Journal of the American Chemical Society","2008","130","","3298","3299","10.1021/ja800257j","","","0.71073","MoKα","","0.127","0.0607","","","0.1527","0.1999","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107575","9.285","0.0003","10.324","0.0003","17.401","0.0006","73.611","0.001","78.185","0.002","82.979","0.001","1562.66","0.09","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 Co2 O7 -","- C14 H17.5 Co2 O7 -","- C56 H70 Co8 O28 -","4","2","","Jacob Overgaard; Henrik F. Clausen; Jamie A. Platts; Bo B. Iversen","Experimental and Theoretical Charge Density Study of Chemical Bonding in a Co Dimer Complex","Journal of the American Chemical Society","2008","130","","3834","3843","10.1021/ja076152c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107576","9.3125","0.0003","10.3768","0.0003","17.4885","0.0006","73.477","0.001","78.215","0.002","83.078","0.001","1582.53","0.09","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 Co2 O7 -","- C14 H12 Co2 O7 -","- C56 H48 Co8 O28 -","4","2","","Jacob Overgaard; Henrik F. Clausen; Jamie A. Platts; Bo B. Iversen","Experimental and Theoretical Charge Density Study of Chemical Bonding in a Co Dimer Complex","Journal of the American Chemical Society","2008","130","","3834","3843","10.1021/ja076152c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107577","13.009","0.002","13.146","0.002","19.688","0.004","80.526","0.003","86.782","0.003","74.29","0.002","3196.7","0.9","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H100 O Si4 Y4 -","- C52 H100 O Si4 Y4 -","- C104 H200 O2 Si8 Y8 -","2","1","","Muhammed Yousufuddin; Matthias J. Gutmann; Jens Baldamus; Olivier Tardif; Zhaomin Hou; Sax A. Mason; Garry J. McIntyre; Robert Bau","Neutron Diffraction Studies on a 4-Coordinate Hydrogen Atom in an Yttrium Cluster","Journal of the American Chemical Society","2008","130","","3888","3891","10.1021/ja076520c","","neutron","","white-beam","","0.1534","0.1094","","","0.2347","0.2501","","","","","","1.494","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107578","12.988","0.002","13.134","0.002","19.626","0.003","80.443","0.011","86.673","0.01","74.379","0.01","3179.2","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H100 O Si4 Y4 -","- C52 H100 O Si4 Y4 -","- C104 H200 O2 Si8 Y8 -","2","1","","Muhammed Yousufuddin; Matthias J. Gutmann; Jens Baldamus; Olivier Tardif; Zhaomin Hou; Sax A. Mason; Garry J. McIntyre; Robert Bau","Neutron Diffraction Studies on a 4-Coordinate Hydrogen Atom in an Yttrium Cluster","Journal of the American Chemical Society","2008","130","","3888","3891","10.1021/ja076520c","","neutron","","neutron","","0.0885","0.0885","","","0.224","0.224","","","","","","1.025","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107579","32.461","0.007","4.1267","0.0008","20.067","0.004","90","","107.58","0.03","90","","2562.6","1","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 N2 -","- C18 H10 N2 -","- C144 H80 N16 -","8","2","","Lang Jiang; Yanyan Fu; Hongxiang Li; Wenping Hu","Single-Crystalline, Size, and Orientation Controllable Nanowires and Ultralong Microwires of Organic Semiconductor with Strong Photoswitching Property","Journal of the American Chemical Society","2008","130","","3937","3941","10.1021/ja077600j","","","0.71073","MoKα","","0.0807","0.0677","","","0.1458","0.1532","","","","","","1.143","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107580","11.3316","0.001","14.4199","0.0013","21.2689","0.0019","90","","101.789","0.001","90","","3402","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 N3 O3 Si -","- C45 H36 N3 O3 Si -","- C180 H144 N12 O12 Si4 -","4","1","","Sushanta K. Pal; Mikhail E. Itkis; Fook S. Tham; Robert W. Reed; Richard T. Oakley; Robert C. Haddon","Trisphenalenyl-Based Neutral Radical Molecular Conductor","Journal of the American Chemical Society","2008","130","","3942","3951","10.1021/ja077771o","","","0.71073","MoKα","","0.0914","0.0543","","","0.1357","0.1568","","","","","","1.024","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107581","11.4019","0.0016","14.563","0.002","21.455","0.003","90","","102.095","0.002","90","","3483.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 N3 O3 Si -","- C45 H36 N3 O3 Si -","- C180 H144 N12 O12 Si4 -","4","1","","Sushanta K. Pal; Mikhail E. Itkis; Fook S. Tham; Robert W. Reed; Richard T. Oakley; Robert C. Haddon","Trisphenalenyl-Based Neutral Radical Molecular Conductor","Journal of the American Chemical Society","2008","130","","3942","3951","10.1021/ja077771o","","","0.71073","MoKα","","0.0818","0.0481","","","0.1179","0.1396","","","","","","1.031","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107582","11.3113","0.0017","15.823","0.003","17.556","0.003","82.735","0.003","75.471","0.003","77.532","0.004","2961.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H65 B N6 O3 Si -","- C75 H65 B N6 O3 Si -","- C150 H130 B2 N12 O6 Si2 -","2","1","","Sushanta K. Pal; Mikhail E. Itkis; Fook S. Tham; Robert W. Reed; Richard T. Oakley; Robert C. Haddon","Trisphenalenyl-Based Neutral Radical Molecular Conductor","Journal of the American Chemical Society","2008","130","","3942","3951","10.1021/ja077771o","","","0.71073","MoKα","","0.1257","0.0804","","","0.1975","0.2221","","","","","","1.037","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107583","11.042","0.002","12.246","0.002","13.931","0.003","90","","90","","90","","1883.8","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Br N O5 -","- C20 H20 Br N O5 -","- C80 H80 Br4 N4 O20 -","4","1","","Stephen K. Jackson; Avedis Karadeolian; Alex B. Driega; Michael A. Kerr","Stereodivergent Methodology for the Synthesis of Complex Pyrrolidines","Journal of the American Chemical Society","2008","130","","4196","4201","10.1021/ja710289k","","","0.71073","MoKα","","0.0426","0.0337","","","0.0739","0.0784","","","","","","1.047","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107584","7.6974","0.0011","8.6969","0.0008","10.5278","0.0011","101.214","0.01","96.25","0.013","113.316","0.012","621.2","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 O2 S2 -","- C14 H12 O2 S2 -","- C28 H24 O4 S4 -","2","1","","Edward L. Clennan; Chen Liao","Role of Sulfide Radical Cations in Electron Transfer Promoted Molecular Oxygenations at Sulfur","Journal of the American Chemical Society","2008","130","","4057","4068","10.1021/ja710301s","","","0.71073","MoKα","","0.0403","0.0364","","","0.1015","0.105","","","","","","1.074","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107585","9.2865","0.0019","9.557","0.002","11.18","0.002","76.516","0.003","68.717","0.003","79.799","0.003","894.4","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H15 B F2 I N3 O -","- C17 H15 B F2 I N3 O -","- C34 H30 B2 F4 I2 N6 O2 -","2","1","","Liangxing Wu; Kevin Burgess","Syntheses of Highly Fluorescent GFP-Chromophore Analogues","Journal of the American Chemical Society","2008","130","","4089","4096","10.1021/ja710388h","","","0.71073","MoKα","","0.0379","0.0327","","","0.0778","0.0804","","","","","","1.075","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107586","7.0047","0.0007","21.173","0.002","24.097","0.002","90","","95.857","0.005","90","","3555.2","0.6","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 B F2 N4 O4.28 -","- C17 H15 B F2 N4 O4.27 -","- C136 H120 B8 F16 N32 O34.16 -","8","2","","Liangxing Wu; Kevin Burgess","Syntheses of Highly Fluorescent GFP-Chromophore Analogues","Journal of the American Chemical Society","2008","130","","4089","4096","10.1021/ja710388h","","","1.54178","CuKα","","0.1332","0.0651","","","0.1671","0.2069","","","","","","0.968","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107587","17.62","0.0006","6.4103","0.0002","15.8821","0.0006","90","","111.721","0.002","90","","1666.5","0.1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 B F2 I N3 O -","- C17 H15 B F2 I N3 O -","- C68 H60 B4 F8 I4 N12 O4 -","4","1","","Liangxing Wu; Kevin Burgess","Syntheses of Highly Fluorescent GFP-Chromophore Analogues","Journal of the American Chemical Society","2008","130","","4089","4096","10.1021/ja710388h","","","1.54178","CuKα","","0.0355","0.0339","","","0.0875","0.0884","","","","","","1.041","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107588","7.2703","0.0004","14.6609","0.0009","15.5558","0.0009","76.599","0.005","86.107","0.003","86.382","0.003","1607.29","0.17","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 B F2 N4 O3 -","- C17 H15 B F2 N4 O3 -","- C68 H60 B4 F8 N16 O12 -","4","2","","Liangxing Wu; Kevin Burgess","Syntheses of Highly Fluorescent GFP-Chromophore Analogues","Journal of the American Chemical Society","2008","130","","4089","4096","10.1021/ja710388h","","","1.54178","CuKα","","0.0502","0.0403","","","0.1041","0.1077","","","","","","1.007","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107589","13.426","0.002","19.555","0.002","13.641","0.002","90","","90.277","0.002","90","","3581.3","0.8","301","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 N7 O15 Tb -","- C30 H36 N7 O15 Tb -","- C120 H144 N28 O60 Tb4 -","4","1","","Ga-Lai Law; Ka-Leung Wong; Cornelia Wing-Yin Man; Wing-Tak Wong; Sai-Wah Tsao; Michael Hon-Wah Lam; Paul Kwan-Sing Lam","Emissive Terbium Probe for Multiphoton in Vitro Cell Imaging","Journal of the American Chemical Society","2008","130","","3714","3715","10.1021/ja710418d","","","0.71073","MoKα","","","0.032","","","","0.033","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107590","18.761","0.004","18.761","0.004","18.761","0.004","90","","90","","90","","6603","2","298","2","298","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","","","- C1.5 H0.5 In0.125 K0.16 N0.58 Na0.045 O1.36 -","- C1.5 H0.5 In0.125 K0.16 N0.58 Na0.045 O1.36 -","- C144 H48 In12 K15.36 N55.68 Na4.32 O130.56 -","96","1","","Dorina F. Sava; Victor Ch. Kravtsov; Farid Nouar; Lukasz Wojtas; Jarrod F. Eubank; Mohamed Eddaoudi","Quest for Zeolite-like Metal-Organic Frameworks: On Pyrimidinecarboxylate Bis-Chelating Bridging Ligands","Journal of the American Chemical Society","2008","130","","3768","3770","10.1021/ja710616j","","","0.71073","MoKα","","0.0462","0.0436","","","0.1252","0.1277","","","","","","1.173","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107591","30.07","0.007","30.07","0.007","30.07","0.007","90","","90","","90","","27189","11","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C5.7 H3 Cd0.5 N2.35 O4.68 -","- C5.7 H3 Cd0.5 N2.35 O4.67992 -","- C547.2 H288 Cd48 N225.6 O449.272 -","96","1","","Dorina F. Sava; Victor Ch. Kravtsov; Farid Nouar; Lukasz Wojtas; Jarrod F. Eubank; Mohamed Eddaoudi","Quest for Zeolite-like Metal-Organic Frameworks: On Pyrimidinecarboxylate Bis-Chelating Bridging Ligands","Journal of the American Chemical Society","2008","130","","3768","3770","10.1021/ja710616j","","","0.71073","MoKα","","0.1024","0.0771","","","0.19","0.2053","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107592","12.1454","0.0003","12.1454","0.0003","27.8101","0.0016","90","","90","","90","","4102.3","0.3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C44.5 H12.5 Cl1.5 F20 O4 S2 -","- C44.5 H8 Cl1.52 F20 O4 S2 -","- C178 H32 Cl6.08 F80 O16 S8 -","4","0.25","","J. Sreedhar Reddy; Venkataramanarao G. Anand","Planar Meso Pentafluorophenyl Core Modified Isophlorins","Journal of the American Chemical Society","2008","130","","3718","3719","10.1021/ja710664y","","","0.71073","MoKα","","0.0635","0.0593","","","0.1938","0.2017","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107593","19.8252","0.0005","19.8252","0.0005","24.8223","0.0009","90","","90","","120","","8449","0.4","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C44 H8 F20 O4 -","- C44 H8 F20 O4 -","- C396 H72 F180 O36 -","9","0.5","","J. Sreedhar Reddy; Venkataramanarao G. Anand","Planar Meso Pentafluorophenyl Core Modified Isophlorins","Journal of the American Chemical Society","2008","130","","3718","3719","10.1021/ja710664y","","","0.71073","MoKα","","0.0514","0.0359","","","0.0877","0.1041","","","","","","1.046","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107594","15.3492","0.0003","17.765","0.0004","34.5444","0.0007","90","","90.028","0.001","90","","9419.5","0.3","120","2","120","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","dmc4abr","","","- C48 H60 Br4 Cl4 -","- C48 H60 Br4 Cl4 -","- C384 H480 Br32 Cl32 -","8","1","","Maria H. Filby; Sara Jane Dickson; Nelsi Zaccheroni; Luca Prodi; Sara Bonacchi; Marco Montalti; Martin J. Paterson; Terry D. Humphries; Claudio Chiorboli; Jonathan W. Steed","Induced Fit Interanion Discrimination by Binding-Induced Excimer Formation","Journal of the American Chemical Society","2008","130","","4105","4113","10.1021/ja711012d","","","0.71073","MoKα","","0.1365","0.0642","","","0.1291","0.1537","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107595","31.0675","0.0008","18.4074","0.0005","39.2606","0.0009","90","","99.287","0.001","90","","22157.7","1","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Chlorodiphenylsilyldisilene","1-Chloro(diphenyl)silyl-1,2,2-tris(2',4',6'-triisopropylphenyl)disilene","","- C233 H328 Cl4 Si12 -","- C233 H328 Cl4 Si12 -","- C932 H1312 Cl16 Si48 -","4","1","","Kai Abersfelder; David Scheschkewitz","Syntheses of Trisila Analogues of Allyl Chlorides and Their Transformations to Chlorocyclotrisilanes, Cyclotrisilanides, and a Trisilaindane","Journal of the American Chemical Society","2008","130","","4114","4121","10.1021/ja711169w","","","0.71073","MoKα","","0.072","0.0508","","","0.1226","0.1376","","","","","","1.054","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107596","14.135","0.001","17.7858","0.0013","20.6446","0.0015","69.997","0.001","75.569","0.001","89.749","0.002","4704.4","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Tip3Me2-Chlorocyclotrisilan","rac-1-Chloro-1,2,2-tris(2,4,6-triisopropylpheny)-3,3-methyl- cyclotrisilan","","- C47 H75 Cl Si3 -","- C47 H75 Cl Si3 -","- C188 H300 Cl4 Si12 -","4","2","","Kai Abersfelder; David Scheschkewitz","Syntheses of Trisila Analogues of Allyl Chlorides and Their Transformations to Chlorocyclotrisilanes, Cyclotrisilanides, and a Trisilaindane","Journal of the American Chemical Society","2008","130","","4114","4121","10.1021/ja711169w","","","0.71073","MoKα","","0.0794","0.0645","","","0.1419","0.1483","","","","","","1.123","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107597","10.874","0.0005","15.4908","0.0008","34.2768","0.0017","90","","90","","90","","5773.8","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tip3Ph2-Chlorocyclotrisilan","[S]-1-Chlor-1,2,2-tris(2',4',6'-triisopropylphenyl)-3,3-diphenylcyclotrisilan","","- C61 H87 Cl O Si3 -","- C61 H87 Cl O Si3 -","- C244 H348 Cl4 O4 Si12 -","4","1","","Kai Abersfelder; David Scheschkewitz","Syntheses of Trisila Analogues of Allyl Chlorides and Their Transformations to Chlorocyclotrisilanes, Cyclotrisilanides, and a Trisilaindane","Journal of the American Chemical Society","2008","130","","4114","4121","10.1021/ja711169w","","","0.71073","MoKα","","0.0684","0.0671","","","0.1542","0.1548","","","","","","1.307","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107598","12.9877","0.0009","13.6085","0.001","19.7857","0.0014","99.423","0.002","100.153","0.002","112.956","0.001","3063.6","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Tip3Ph2-Cyclotrisilanid","rac-1,2,2-Tris(2,4,6-triisopropylpheny)-3,3-phenylcyclotrisilanid","","- C64 H96 Li O Si3 -","- C64 H96 Li O Si3 -","- C128 H192 Li2 O2 Si6 -","2","1","","Kai Abersfelder; David Scheschkewitz","Syntheses of Trisila Analogues of Allyl Chlorides and Their Transformations to Chlorocyclotrisilanes, Cyclotrisilanides, and a Trisilaindane","Journal of the American Chemical Society","2008","130","","4114","4121","10.1021/ja711169w","","","0.71073","MoKα","","0.0661","0.0524","","","0.1235","0.1307","","","","","","1.031","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107599","13.0569","0.0004","16.6258","0.0004","17.0696","0.0005","84.847","0.001","86.065","0.001","85.138","0.001","3670.28","0.18","97","2","97","2","","","","","","","","6","P -1","-P 1","2","SSIP-Diphenylcyclotrisilanide","[Lithum(Cryptand-2.1.1)][3,3-Diphenyl-1,2,2-(2',4',6'- triisopropylphenyl)cyclotrisilan-1-ide]","","- C78 H115 Li N2 O4 Si3 -","- C78 H115 Li N2 O4 Si3 -","- C156 H230 Li2 N4 O8 Si6 -","2","1","","Kai Abersfelder; David Scheschkewitz","Syntheses of Trisila Analogues of Allyl Chlorides and Their Transformations to Chlorocyclotrisilanes, Cyclotrisilanides, and a Trisilaindane","Journal of the American Chemical Society","2008","130","","4114","4121","10.1021/ja711169w","","","0.71073","MoKα","","0.044","0.0364","","","0.0854","0.0901","","","","","","1.025","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107600","13.3185","0.0008","15.7123","0.0009","18.0837","0.0011","78.6948","0.0014","75.7526","0.0013","76.4736","0.0013","3527.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Trisilaindane","rac-trans-1-Chloro-1-Phenyl-2,2,3-tris(2',4',6'- triisopropylphenyl)-1,2,3-trisilaindane","","- C75 H115 Cl Si3 -","- C75 H115 Cl Si3 -","- C150 H230 Cl2 Si6 -","2","1","","Kai Abersfelder; David Scheschkewitz","Syntheses of Trisila Analogues of Allyl Chlorides and Their Transformations to Chlorocyclotrisilanes, Cyclotrisilanides, and a Trisilaindane","Journal of the American Chemical Society","2008","130","","4114","4121","10.1021/ja711169w","","","0.71073","MoKα","","0.0856","0.0696","","","0.158","0.166","","","","","","1.107","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4107601","9.432","0.003","21.511","0.005","7.7569","0.0019","90","","90","","90","","1573.8","0.7","120","2","120","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C8 H14 O2 -","- C8 H14 O2 -","- C64 H112 O16 -","8","1","","Maksim Royzen; Glenn P. A. Yap; Joseph M. Fox","A Photochemical Synthesis of Functionalized trans-Cyclooctenes Driven by Metal Complexation","Journal of the American Chemical Society","2008","130","","3760","3761","10.1021/ja8001919","","","0.71073","MoKα","","0.0556","0.0453","","","0.1286","0.1403","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107602","6.945","0.002","7.426","0.002","10.987","0.003","85.366","0.003","86.896","0.004","63.74","0.003","506.4","0.2","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H16 O3 -","- C10 H16 O3 -","- C20 H32 O6 -","2","1","","Maksim Royzen; Glenn P. A. Yap; Joseph M. Fox","A Photochemical Synthesis of Functionalized trans-Cyclooctenes Driven by Metal Complexation","Journal of the American Chemical Society","2008","130","","3760","3761","10.1021/ja8001919","","","0.71073","MoKα","","0.0745","0.0669","","","0.1691","0.1774","","","","","","1.007","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4107603","6.891","0.005","11.639","0.008","10.71","0.007","90","","94.203","0.01","90","","856.7","1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Maksim Royzen; Glenn P. A. Yap; Joseph M. Fox","A Photochemical Synthesis of Functionalized trans-Cyclooctenes Driven by Metal Complexation","Journal of the American Chemical Society","2008","130","","3760","3761","10.1021/ja8001919","","","0.71073","MoKα","","0.0889","0.0774","","","0.2076","0.2201","","","","","","1.061","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4107604","34.476","0.003","19.8768","0.0017","14.8594","0.0008","90","","90","","90","","10182.7","1.4","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ge39.56 N16 O118 Si12.44 -","- Ge39.564 N16 O118 Si12.436 -","- Ge79.128 N32 O236 Si24.872 -","2","0.125","","Kirsten E. Christensen; Charlotte Bonneau; Mikaela Gustafsson; Lei Shi; Junliang Sun; Jekabs Grins; Kjell Jansson; Isabelle Sbille; Bao-Lian Su; Xiadong Zou","An Open-Framework Silicogermanate with 26-Ring Channels Built from Seven-Coordinated (Ge,Si)10(O,OH)28 Clusters","Journal of the American Chemical Society","2008","130","","3758","3759","10.1021/ja8002556","","x-ray","0.907","synchrotron","","0.0701","0.0563","","","0.1496","0.159","","","","","","1.046","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107605","16.1114","0.0005","17.3313","0.0006","18.581","0.0006","106.269","0.002","105.494","0.002","90.959","0.002","4776.1","0.3","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C176 H230 Au25 N S18 -","- C176 H230 Au25 N S18 -","- C176 H230 Au25 N S18 -","1","0.5","","Michael W. Heaven; Amala Dass; Peter S. White; Kennedy M. Holt; Royce W. Murray","Crystal Structure of the Gold Nanoparticle [N(C8H17)4][Au25(SCH2CH2Ph)18]","Journal of the American Chemical Society","2008","130","","3754","3755","10.1021/ja800561b","","","0.71073","MoKα","","0.0687","0.0415","","","0.0962","0.1132","","","","","","1.054","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4107606","8.6134","0.0003","16.7404","0.0006","12.0404","0.0004","90","","90","","90","","1736.13","0.1","120","2","120","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C12 H24 Cl3 Fe P Si -","- C12 H22 Cl3 Fe P Si -","- C48 H88 Cl12 Fe4 P4 Si4 -","4","0.5","","Dmitry V. Gutsulyak; Lyudmila G. Kuzmina; Judith A. K. Howard; Sergei F. Vyboishchikov; Georgii I. Nikonov","Cp(Pri2MeP)FeH2SiR3: Nonclassical Iron Silyl Dihydride","Journal of the American Chemical Society","2008","130","","3732","3733","10.1021/ja800983n","","","0.71073","MoKα","","0.0573","0.0381","","","0.0892","0.0946","","","","","","1.067","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4107607","11.6589","0.0003","12.7671","0.0003","12.0791","0.0004","90","","94.963","0.001","90","","1791.24","0.09","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H27 Cl2 Fe P Si -","- C13 H27 Cl2 Fe P Si -","- C52 H108 Cl8 Fe4 P4 Si4 -","4","1","","Dmitry V. Gutsulyak; Lyudmila G. Kuzmina; Judith A. K. Howard; Sergei F. Vyboishchikov; Georgii I. Nikonov","Cp(Pri2MeP)FeH2SiR3: Nonclassical Iron Silyl Dihydride","Journal of the American Chemical Society","2008","130","","3732","3733","10.1021/ja800983n","","","0.71073","MoKα","","0.055","0.0344","","","0.0704","0.0754","","","","","","0.977","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107608","7.6579","0.0002","10.7787","0.0002","13.3012","0.0003","74.476","0.002","85.09","0.002","89.894","0.002","1053.72","0.04","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C13 H27 Br F6 Fe N8 O P -","- C13 H27 Br F6 Fe N8 O P -","- C26 H54 Br2 F12 Fe2 N16 O2 P2 -","2","1","","Maria Schlangen; Johannes Neugebauer; Markus Reiher; Detlef Schröder; Jesús Pitarch López; Marco Haryono; Frank W. Heinemann; Andreas Grohmann; Helmut Schwarz","Gas-Phase C-H and N-H Bond Activation by a High Valent Nitrido-Iron Dication and NH-Transfer to Activated Olefins","Journal of the American Chemical Society","2008","130","","4285","4294","10.1021/ja075617w","","","0.71073","MoKα","","0.0586","0.0404","","","0.0909","0.0971","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107609","11.0057","0.001","11.7715","0.0011","16.1248","0.0015","78.922","0.002","79.575","0.002","75.362","0.002","1964.2","0.3","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C85 H128 N8 Zr2 -","- C85 H128 N8 Zr2 -","- C85 H128 N8 Zr2 -","1","0.5","","Nicole A. Ketterer; Hongjun Fan; Karen J. Blackmore; Xiaofan Yang; Joseph W. Ziller; Mu-Hyun Baik; Alan F. Heyduk","π.-π. Bonding Interactions Generated by Halogen Oxidation of Zirconium(IV) Redox-Active Ligand Complexes","Journal of the American Chemical Society","2008","130","","4364","4374","10.1021/ja077337m","","","0.71073","MoKα","","0.0312","0.0268","","","0.068","0.0714","","","","","","1.055","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4107610","29.745","0.005","14.043","0.002","20.461","0.003","90","","122.277","0.002","90","","7226.1","1.9","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H60 N4 O Zr -","- C36 H60 N4 O Zr -","- C288 H480 N32 O8 Zr8 -","8","1","","Nicole A. Ketterer; Hongjun Fan; Karen J. Blackmore; Xiaofan Yang; Joseph W. Ziller; Mu-Hyun Baik; Alan F. Heyduk","π.-π. Bonding Interactions Generated by Halogen Oxidation of Zirconium(IV) Redox-Active Ligand Complexes","Journal of the American Chemical Society","2008","130","","4364","4374","10.1021/ja077337m","","","0.71073","MoKα","","0.0555","0.0314","","","0.0673","0.0778","","","","","","1.053","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107611","9.9356","0.0008","14.7888","0.0012","13.7171","0.0012","90","","100.961","0.001","90","","1978.8","0.3","163","2","163","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H62 Cl2 N4 O Zr -","- C36 H62 Cl2 N4 O Zr -","- C72 H124 Cl4 N8 O2 Zr2 -","2","1","","Nicole A. Ketterer; Hongjun Fan; Karen J. Blackmore; Xiaofan Yang; Joseph W. Ziller; Mu-Hyun Baik; Alan F. Heyduk","π.-π. Bonding Interactions Generated by Halogen Oxidation of Zirconium(IV) Redox-Active Ligand Complexes","Journal of the American Chemical Society","2008","130","","4364","4374","10.1021/ja077337m","","","0.71073","MoKα","","0.0233","0.0221","","","0.0563","0.057","","","","","","1.054","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4107612","10.049","0.0009","14.7969","0.0013","13.7501","0.0012","90","","101.533","0.002","90","","2003.3","0.3","163","2","163","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H62 Br2 N4 O Zr -","- C36 H62 Br2 N4 O Zr -","- C72 H124 Br4 N8 O2 Zr2 -","2","1","","Nicole A. Ketterer; Hongjun Fan; Karen J. Blackmore; Xiaofan Yang; Joseph W. Ziller; Mu-Hyun Baik; Alan F. Heyduk","π.-π. Bonding Interactions Generated by Halogen Oxidation of Zirconium(IV) Redox-Active Ligand Complexes","Journal of the American Chemical Society","2008","130","","4364","4374","10.1021/ja077337m","","","0.71073","MoKα","","0.0399","0.0368","","","0.1043","0.1066","","","","","","1.08","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4107613","11.7217","0.001","17.3104","0.0015","20.0003","0.0017","90","","100.315","0.002","90","","3992.6","0.6","158","2","158","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H62 Cl0.7 I1.3 N4 O Zr -","- C36 H62 Cl0.7 I1.3 N4 O Zr -","- C144 H248 Cl2.8 I5.2 N16 O4 Zr4 -","4","1","","Nicole A. Ketterer; Hongjun Fan; Karen J. Blackmore; Xiaofan Yang; Joseph W. Ziller; Mu-Hyun Baik; Alan F. Heyduk","π.-π. Bonding Interactions Generated by Halogen Oxidation of Zirconium(IV) Redox-Active Ligand Complexes","Journal of the American Chemical Society","2008","130","","4364","4374","10.1021/ja077337m","","","0.71073","MoKα","","0.0518","0.039","","","0.1017","0.1097","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107614","9.817","0.004","12.992","0.005","14.271","0.005","90","","90","","90","","1820.2","1.2","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Br2 P Rh -","- C17 H22 Br2 P Rh -","- C68 H88 Br8 P4 Rh4 -","4","1","","Marius V. Câmpian; Eric Clot; Odile Eisenstein; Ulrike Helmstedt; Naseralla Jasim; Robin N. Perutz; Adrian C. Whitwood; David Williamson","Stereochemical Nonrigidity of a Chiral Rhodium Boryl Hydride Complex: A σ-Borane Complex as Transition State for Isomerization","Journal of the American Chemical Society","2008","130","","4375","4385","10.1021/ja077357o","","","0.71073","MoKα","","0.0243","0.0225","","","0.0511","0.0515","","","","","","1.011","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107615","5.025","0.003","7.676","0.004","13.931","0.008","74.067","0.009","89.448","0.011","75.687","0.008","499.7","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Compound_1_4_Pressed_to_3GPa","","","- C18 H14 I2 N4 O2 -","- C18 H14 I2 N4 O2 -","- C18 H14 I2 N4 O2 -","1","0.5","","Christopher Wilhelm; Stephen A. Boyd; Samrat Chawda; Frank W. Fowler; Nancy S. Goroff; Gary P. Halada; Clare P. Grey; Joseph W. Lauher; Liang Luo; C. David Martin; John B. Parise; Cathy Tarabrella; Jeffrey A. Webb","Pressure-Induced Polymerization of Diiodobutadiyne in Assembled Cocrystals","Journal of the American Chemical Society","2008","130","","4415","4420","10.1021/ja0782910","","","0.71073","MoKα","","0.0811","0.0405","","","0.0977","0.1415","","","","","","0.975","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107616","6.3978","0.0013","8.4177","0.0017","17.485","0.004","83.29","0.03","84.99","0.03","70.12","0.03","878.3","0.4","173","2","173","2","","","100","","","","organic synthesis","5","P -1","-P 1","2","6-5-5 product","N-tosyl-5-aza-9-hydroxy-1-methyltricyclo[7.3.0.02,7]dodecan-12-one","","- C19 H25 N O4 S -","- C19 H25 N O4 S -","- C38 H50 N2 O8 S2 -","2","1","","Lei Jiao; Changxia Yuan; Zhi-Xiang Yu","Tandem Rh(I)-Catalyzed [(5+2)+1] Cycloaddition/Aldol Reaction for the Construction of Linear Triquinane Skeleton: Total Syntheses of (\±)-Hirsutene and (\±)-1-Desoxyhypnophilin","Journal of the American Chemical Society","2008","130","","4421","4430","10.1021/ja7100449","","x-ray","0.71073","MoKα","","0.0633","0.0505","","","0.1164","0.1221","","","","","","1.124","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107617","8.059","0.002","14.32","0.004","11.9","0.004","90","","105.66","0.03","90","","1322.3","0.7","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Mn(PaPy~2~Q)(OH)]ClO~4~ . CH~3~CN","hydroxo(N,N-bis(2-pyridylmethyl)amine-N-ethyl-2-quinoline-2- carboxamido)manganese(III) perchlorate acetonitrile solvate","","- C26 H26 Cl Mn N6 O6 -","- C26 H26 Cl Mn N6 O6 -","- C52 H52 Cl2 Mn2 N12 O12 -","2","1","","Aura A. Eroy-Reveles; Yvonne Leung; Christine M. Beavers; Marilyn M. Olmstead; Pradip K. Mascharak","Near-Infrared Light Activated Release of Nitric Oxide from Designed Photoactive Manganese Nitrosyls: Strategy, Design, and Potential as NO Donors","Journal of the American Chemical Society","2008","130","","4447","4458","10.1021/ja710265j","","","0.71073","MoKα","","0.0393","0.0326","","","0.0681","0.0702","","","","","","0.986","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107618","7.193","0.003","14.147","0.006","14.691","0.006","63.558","0.006","77.297","0.006","81.994","0.006","1304.3","0.9","90","2","90","2","","","","","","","","6","P -1","-P 1","2","[Mn(PaPy~2~Q)(NO)]ClO~4~ CH~3~OH","(N,N-bis(2-pyridylmethyl)amine-N-ethyl-2-quinoline-2- carboxamido)nitrosylmanganese(II) perchlorate methanol solvate","","- C25 H26 Cl Mn N6 O7 -","- C25 H26 Cl Mn N6 O6.997 -","- C50 H52 Cl2 Mn2 N12 O13.994 -","2","1","","Aura A. Eroy-Reveles; Yvonne Leung; Christine M. Beavers; Marilyn M. Olmstead; Pradip K. Mascharak","Near-Infrared Light Activated Release of Nitric Oxide from Designed Photoactive Manganese Nitrosyls: Strategy, Design, and Potential as NO Donors","Journal of the American Chemical Society","2008","130","","4447","4458","10.1021/ja710265j","","","0.71073","MoKα","","0.0785","0.0525","","","0.1314","0.1464","","","","","","1.006","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4107619","23.855","0.007","16.442","0.006","19.947","0.004","90","","110.39","0.015","90","","7333","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H50 Cl5 N2 P Ru -","- C32 H50 Cl5 N2 P Ru -","- C256 H400 Cl40 N16 P8 Ru8 -","8","1","","Edwin F. van der Eide; Patricio E. Romero; Warren E. Piers","Generation and Spectroscopic Characterization of Ruthenacyclobutane and Ruthenium Olefin Carbene Intermediates Relevant to Ring Closing Metathesis Catalysis","Journal of the American Chemical Society","2008","130","","4485","4491","10.1021/ja710364e","","","0.71073","MoKα","","0.0854","0.043","","","0.0952","0.1133","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107620","7.249","0.003","8.065","0.003","25.055","0.01","90","","90","","90","","1464.8","1","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","TF09-126","(R)-ethyl 1-[1-(4-bromophenyl)vinyl]-2-oxocyclopentanecarboxylate","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C64 H68 Br4 O12 -","4","1","","Taisuke Fujimoto; Kohei Endo; Hayato Tsuji; Masaharu Nakamura; Eiichi Nakamura","Construction of a Chiral Quaternary Carbon Center by Indium-Catalyzed Asymmetric α-Alkenylation of β-Ketoesters","Journal of the American Chemical Society","2008","130","","4492","4496","10.1021/ja710408f","","","0.7107","MoKα","","0.0233","0.0211","","","0.0467","0.0472","","","","","","1.009","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107621","11.549","0.0002","21.146","0.0004","18.496","0.0004","90","","98.478","0.001","90","","4467.64","0.15","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","Compound_7a","Potassium 18-Crown-6 [(2-(Fluorodimethylsilyl)phenyl]fluorodimesitylborate","","- C42 H64 B F2 K O7 Si -","- C42 H64 B F2 K O7 Si -","- C168 H256 B4 F8 K4 O28 Si4 -","4","2","","Atsushi Kawachi; Atsushi Tani; Junpei Shimada; Yohsuke Yamamoto","Synthesis of B/Si Bidentate Lewis Acids, o-(Fluorosilyl)(dimesitylboryl)benzenes, and Their Fluoride Ion Affinity","Journal of the American Chemical Society","2008","130","","4222","4223","10.1021/ja710615r","","","0.71069","MoKα","","0.0686","0.053","","","0.1408","0.1683","","","","","","1.193","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107622","11.758","0.0003","13.378","0.0003","16.445","0.0004","93.092","0.001","92.385","0.001","103.553","0.001","2507.16","0.11","173","2","173","2","","","","","","","","8","P -1","-P 1","2","Compound_7b","Potassium [2.2.2]Cryptand [(2-(Fluorodimethylsilyl)phenyl]fluorodimesitylborate","","- C48 H76 B F2 K N2 O7 Si -","- C48 H68 B F2 K N2 O7 Si -","- C96 H136 B2 F4 K2 N4 O14 Si2 -","2","1","","Atsushi Kawachi; Atsushi Tani; Junpei Shimada; Yohsuke Yamamoto","Synthesis of B/Si Bidentate Lewis Acids, o-(Fluorosilyl)(dimesitylboryl)benzenes, and Their Fluoride Ion Affinity","Journal of the American Chemical Society","2008","130","","4222","4223","10.1021/ja710615r","","","0.71069","MoKα","","0.0731","0.0605","","","0.1663","0.1781","","","","","","1.089","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4107623","16.941","0.0002","16.524","0.0003","19.877","0.0003","90","","100.718","0.001","90","","5467.16","0.15","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Compound_8a","Potassium 18-Crown-6 [(2-(Fluorodiphenylsilyl)phenyl]fluorodimesitylborate","","- C56 H76 B F2 K O8 Si -","- C56 H76 B F2 K O8 Si -","- C224 H304 B4 F8 K4 O32 Si4 -","4","1","","Atsushi Kawachi; Atsushi Tani; Junpei Shimada; Yohsuke Yamamoto","Synthesis of B/Si Bidentate Lewis Acids, o-(Fluorosilyl)(dimesitylboryl)benzenes, and Their Fluoride Ion Affinity","Journal of the American Chemical Society","2008","130","","4222","4223","10.1021/ja710615r","","","0.71069","MoKα","","0.0946","0.0787","","","0.2128","0.2271","","","","","","1.07","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107624","14.465","0.0002","14.469","0.0003","14.75","0.0004","75.282","0.001","65.59","0.001","88.493","0.001","2708.02","0.1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","Compound_8b","Potassium [2.2.2]Cryptand [(2-(Fluorodiphenylsilyl)phenyl]fluorodimesitylborate","","- C54 H74 B F2 K N2 O7 Si -","- C54 H74 B F2 K N2 O7 Si -","- C108 H148 B2 F4 K2 N4 O14 Si2 -","2","1","","Atsushi Kawachi; Atsushi Tani; Junpei Shimada; Yohsuke Yamamoto","Synthesis of B/Si Bidentate Lewis Acids, o-(Fluorosilyl)(dimesitylboryl)benzenes, and Their Fluoride Ion Affinity","Journal of the American Chemical Society","2008","130","","4222","4223","10.1021/ja710615r","","","0.71069","MoKα","","0.0859","0.0633","","","0.1821","0.2177","","","","","","1.161","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4107625","9.9865","0.0008","15.9335","0.0008","13.252","0.002","90","","95.115","0.009","90","","2100.3","0.4","298","","","","","","","","","","Local laboratory","6","P 1 21 1","P 2yb","4","","","","- C47 H48 Fe N6 O4 P -","- C47 H48 Fe N6 O4 P -","- C94 H96 Fe2 N12 O8 P2 -","2","1","","Victor Polshin; Delia-Laura Popescu; Andreas Fischer; Arani Chanda; David C. Horner; Evan S. Beach; Jennifer Henry; Yong-Li Qian; Colin P. Horwitz; Gabor Lente; Istvan Fabian; Eckard Münck; Emile L. Bominaar; Alexander D. Ryabov; Terrence J. Collins","Attaining Control by Design over the Hydrolytic Stability of Fe-TAML Oxidation Catalysts","Journal of the American Chemical Society","2008","130","","4497","4506","10.1021/ja7106383","","","0.71073","MoKα","","0.0572","0.04","","","0.0817","0.0922","","","","","","1.109","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107626","20.9742","0.0007","20.9742","0.0007","20.9742","0.0007","90","","90","","90","","9226.9","0.5","293.1","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C30 H57 Cr2 N21 Ni3 O3 -","- C30 H57 Cr2 N21 Ni3 O3 -","- C240 H456 Cr16 N168 Ni24 O24 -","8","0.333333","","Masaaki Ohba; Wakako Kaneko; Susumu Kitagawa; Takuho Maeda; Masaki Mito","Pressure Response of Three-Dimensional Cyanide-Bridged Bimetallic Magnets","Journal of the American Chemical Society","2008","130","","4475","4484","10.1021/ja7110509","","","0.7107","MoKα","","","0.031","","","","0.0932","","","","","","0.775","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107627","24.505","0.007","11.323","0.004","14.81","0.004","90","","120.69","0.02","90","","3534","2","296.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H32 Cr2 Mn3 N18 O4 -","- C18 H32 Cr2 Mn3 N18 O4 -","- C72 H128 Cr8 Mn12 N72 O16 -","4","0.5","","Masaaki Ohba; Wakako Kaneko; Susumu Kitagawa; Takuho Maeda; Masaki Mito","Pressure Response of Three-Dimensional Cyanide-Bridged Bimetallic Magnets","Journal of the American Chemical Society","2008","130","","4475","4484","10.1021/ja7110509","","","0.7107","MoKα","","","0","","","","0.042","","","","","","1.7","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107628","24.044","0.008","14.343","0.004","16.688","0.005","90","","100.552","0.004","90","","5658","3","243.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H63 Fe2 N21 Ni3 O6 -","- C30 H51 Fe2 N21 Ni3 O6 -","- C120 H204 Fe8 N84 Ni12 O24 -","4","0.5","","Masaaki Ohba; Wakako Kaneko; Susumu Kitagawa; Takuho Maeda; Masaki Mito","Pressure Response of Three-Dimensional Cyanide-Bridged Bimetallic Magnets","Journal of the American Chemical Society","2008","130","","4475","4484","10.1021/ja7110509","","","0.7107","MoKα","","","0.0489","","","","0.1352","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107629","9.1089","0.0013","13.2614","0.0018","19.958","0.003","90","","90","","90","","2410.9","0.6","100","1","100","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H25 N O2 -","- C34.002 H25.005 N O2 -","- C136.008 H100.02 N4 O8 -","4","1","","Dirk Pijper; Mahthild G. M. Jongejan; Auke Meetsma; Ben L. Feringa","Light-Controlled Supramolecular Helicity of a Liquid Crystalline Phase Using a Helical Polymer Functionalized with a Single Chiroptical Molecular Switch","Journal of the American Chemical Society","2008","130","","4541","4552","10.1021/ja711283c","","","0.71073","MoKα","","0.0586","0.0461","","","0.0954","0.0997","","","","","","1.068","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107630","21.61","0.011","8.084","0.004","17.322","0.009","90","","93.796","0.008","90","","3019","3","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","DBSB","1,4-bis(1,1-dimethyl-2-phenylbenzosilol-3-yl)benzene","","- C38 H34 Si2 -","- C38 H34 Si2 -","- C152 H136 Si8 -","4","0.5","","Laurean Ilies; Hayato Tsuji; Yoshiharu Sato; Eiichi Nakamura","Modular Synthesis of Functionalized Benzosiloles by Tin-Mediated Cyclization of (o-Alkynylphenyl)silane","Journal of the American Chemical Society","2008","130","","4240","4241","10.1021/ja800636g","","","0.7107","MoKα","","0.0414","0.0397","","","0.1442","0.146","","","","","","1.3","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107631","8.2634","0.0005","19.8367","0.0011","15.4497","0.0008","90","","99.276","0.003","90","","2499.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 B2 Cr N4 -","- C28 H32 B2 Cr N4 -","- C112 H128 B8 Cr4 N16 -","4","1","","Holger Braunschweig; Thomas Kupfer","Stoichiometric and Homogeneous-Catalytic Diboration of the NN Double Bond of Azobenzene","Journal of the American Chemical Society","2008","130","","4242","4243","10.1021/ja8006879","","","0.71073","MoKα","","0.0572","0.0457","","","0.1287","0.1347","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107632","10.4239","0.0002","19.349","0.0006","13.3476","0.0004","90","","111.623","0.0015","90","","2502.66","0.12","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 F3 N2 O9 S -","- C22 H23 F3 N2 O9 S -","- C88 H92 F12 N8 O36 S4 -","4","1","","Robert Weiss; Matthias Bess; Stefan M. Huber; Frank W. Heinemann","Nucleophilic β-Oniovinylation: Concept, Mechanism, Scope, and Applications","Journal of the American Chemical Society","2008","130","","4610","4617","10.1021/ja071316a","","","0.71073","MoKα","","0.0682","0.049","","","0.1306","0.1446","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107633","10.8981","0.0007","15.3217","0.0011","15.2817","0.0007","90","","91.537","0.004","90","","2550.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 F3 N2 O8 S -","- C25 H23 F3 N2 O8 S -","- C100 H92 F12 N8 O32 S4 -","4","1","","Robert Weiss; Matthias Bess; Stefan M. Huber; Frank W. Heinemann","Nucleophilic β-Oniovinylation: Concept, Mechanism, Scope, and Applications","Journal of the American Chemical Society","2008","130","","4610","4617","10.1021/ja071316a","","","0.71073","MoKα","","0.099","0.0545","","","0.1362","0.1579","","","","","","1.02","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107634","10.8836","0.0003","11.24","0.0002","13.2769","0.0004","103.065","0.002","95.015","0.002","114.689","0.002","1406.85","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 F3 O9 P S -","- C27 H24 F3 O9 P S -","- C54 H48 F6 O18 P2 S2 -","2","1","","Robert Weiss; Matthias Bess; Stefan M. Huber; Frank W. Heinemann","Nucleophilic β-Oniovinylation: Concept, Mechanism, Scope, and Applications","Journal of the American Chemical Society","2008","130","","4610","4617","10.1021/ja071316a","","","0.71073","MoKα","","0.0623","0.0525","","","0.1461","0.1535","","","","","","1.038","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107635","8.9593","0.0003","9.1325","0.0002","9.2993","0.0003","111.338","0.002","95.541","0.002","105.76","0.002","665.68","0.04","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C22 H25 F3 N2 O13 S -","- C22 H25 F3 N2 O13 S -","- C22 H25 F3 N2 O13 S -","1","1","","Robert Weiss; Matthias Bess; Stefan M. Huber; Frank W. Heinemann","Nucleophilic β-Oniovinylation: Concept, Mechanism, Scope, and Applications","Journal of the American Chemical Society","2008","130","","4610","4617","10.1021/ja071316a","","","0.71073","MoKα","","0.0672","0.061","","","0.1532","0.1585","","","","","","1.055","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107636","20.4728","0.0004","8.5835","0.0002","29.1325","0.0001","90","","92.479","0.001","90","","5114.61","0.16","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 F3 N2 O8 S -","- C25 H23 F3 N2 O8 S -","- C200 H184 F24 N16 O64 S8 -","8","1","","Robert Weiss; Matthias Bess; Stefan M. Huber; Frank W. Heinemann","Nucleophilic β-Oniovinylation: Concept, Mechanism, Scope, and Applications","Journal of the American Chemical Society","2008","130","","4610","4617","10.1021/ja071316a","","","0.71073","MoKα","","0.0753","0.0455","","","0.1296","0.149","","","","","","1.001","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107637","8.7141","0.0002","11.1733","0.0002","13.1992","0.0002","94.562","0.001","98.25","0.001","112.007","0.001","1166.66","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 F3 N2 O8 S -","- C21 H21 F3 N2 O8 S -","- C42 H42 F6 N4 O16 S2 -","2","1","","Robert Weiss; Matthias Bess; Stefan M. Huber; Frank W. Heinemann","Nucleophilic β-Oniovinylation: Concept, Mechanism, Scope, and Applications","Journal of the American Chemical Society","2008","130","","4610","4617","10.1021/ja071316a","","","0.71073","MoKα","","0.0596","0.0513","","","0.1364","0.1435","","","","","","0.982","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107638","8.3354","0.0002","9.2642","0.0002","10.9692","0.0003","102.129","0.001","90.355","0.001","104.302","0.001","800.96","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N O5 -","- C19 H15 N O5 -","- C38 H30 N2 O10 -","2","1","","Robert Weiss; Matthias Bess; Stefan M. Huber; Frank W. Heinemann","Nucleophilic β-Oniovinylation: Concept, Mechanism, Scope, and Applications","Journal of the American Chemical Society","2008","130","","4610","4617","10.1021/ja071316a","","","0.71073","MoKα","","0.0481","0.042","","","0.1154","0.1212","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107639","6.745","0.0003","16.1834","0.0006","11.4015","0.0004","90","","103.069","0.002","90","","1212.32","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 O5 S -","- C13 H10 O5 S -","- C52 H40 O20 S4 -","4","1","","Robert Weiss; Matthias Bess; Stefan M. Huber; Frank W. Heinemann","Nucleophilic β-Oniovinylation: Concept, Mechanism, Scope, and Applications","Journal of the American Chemical Society","2008","130","","4610","4617","10.1021/ja071316a","","","0.71073","MoKα","","0.0639","0.0387","","","0.0873","0.0975","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107640","9.17","0.001","14.29","0.001","15.693","0.002","90","","91.415","0.006","90","","2055.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 F3 N2 O9 S -","- C16 H19 F3 N2 O9 S -","- C64 H76 F12 N8 O36 S4 -","4","1","","Robert Weiss; Matthias Bess; Stefan M. Huber; Frank W. Heinemann","Nucleophilic β-Oniovinylation: Concept, Mechanism, Scope, and Applications","Journal of the American Chemical Society","2008","130","","4610","4617","10.1021/ja071316a","","","0.71073","MoKα","","0.0576","0.0391","","","0.0846","0.0916","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107641","7.2486","0.0002","16.2609","0.0004","19.8121","0.0004","90","","90.936","0.002","90","","2334.92","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 F3 N2 O8 S -","- C21 H21 F3 N2 O8 S -","- C84 H84 F12 N8 O32 S4 -","4","1","","Robert Weiss; Matthias Bess; Stefan M. Huber; Frank W. Heinemann","Nucleophilic β-Oniovinylation: Concept, Mechanism, Scope, and Applications","Journal of the American Chemical Society","2008","130","","4610","4617","10.1021/ja071316a","","","0.71073","MoKα","","0.0949","0.0843","","","0.1846","0.1936","","","","","","1.163","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107642","8.6061","0.0004","15.3022","0.0008","15.7738","0.0007","90","","100.44","0.003","90","","2042.9","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 F6 N4 O16 S2 -","- C36 H36 F6 N4 O16 S2 -","- C72 H72 F12 N8 O32 S4 -","2","0.5","","Robert Weiss; Matthias Bess; Stefan M. Huber; Frank W. Heinemann","Nucleophilic β-Oniovinylation: Concept, Mechanism, Scope, and Applications","Journal of the American Chemical Society","2008","130","","4610","4617","10.1021/ja071316a","","","0.71073","MoKα","","0.0941","0.0466","","","0.1073","0.1226","","","","","","0.979","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107643","9.3648","0.0003","9.4521","0.0002","11.0705","0.0003","84.428","0.002","74.511","0.001","75.71","0.0014","914.61","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 F3 N2 O9 S -","- C13 H15 F3 N2 O9 S -","- C26 H30 F6 N4 O18 S2 -","2","1","","Robert Weiss; Matthias Bess; Stefan M. Huber; Frank W. Heinemann","Nucleophilic β-Oniovinylation: Concept, Mechanism, Scope, and Applications","Journal of the American Chemical Society","2008","130","","4610","4617","10.1021/ja071316a","","","0.71073","MoKα","","0.052","0.0392","","","0.1009","0.1084","","","","","","1.048","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107644","7.2405","0.0003","16.4816","0.0007","19.2279","0.0007","90","","90","","90","","2294.56","0.16","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F3 N2 O8 S2 -","- C19 H19 F3 N2 O8 S2 -","- C76 H76 F12 N8 O32 S8 -","4","1","","Robert Weiss; Matthias Bess; Stefan M. Huber; Frank W. Heinemann","Nucleophilic β-Oniovinylation: Concept, Mechanism, Scope, and Applications","Journal of the American Chemical Society","2008","130","","4610","4617","10.1021/ja071316a","","","0.71073","MoKα","","0.0754","0.044","","","0.0981","0.11","","","","","","0.992","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107645","8.5359","0.0002","11.0776","0.0003","13.1438","0.0004","86.221","0.001","89.665","0.002","68.304","0.002","1152.06","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 F3 N2 O8 S2 -","- C19 H19 F3 N2 O8 S2 -","- C38 H38 F6 N4 O16 S4 -","2","1","","Robert Weiss; Matthias Bess; Stefan M. Huber; Frank W. Heinemann","Nucleophilic β-Oniovinylation: Concept, Mechanism, Scope, and Applications","Journal of the American Chemical Society","2008","130","","4610","4617","10.1021/ja071316a","","","0.71073","MoKα","","0.0795","0.0522","","","0.1484","0.1701","","","","","","0.995","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107646","7.7518","0.0002","10.6175","0.0003","12.0977","0.0003","89.307","0.002","73.177","0.002","76.567","0.002","925.38","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 O6 S -","- C20 H18 O6 S -","- C40 H36 O12 S2 -","2","1","","Robert Weiss; Matthias Bess; Stefan M. Huber; Frank W. Heinemann","Nucleophilic β-Oniovinylation: Concept, Mechanism, Scope, and Applications","Journal of the American Chemical Society","2008","130","","4610","4617","10.1021/ja071316a","","","0.71073","MoKα","","0.0557","0.0399","","","0.1022","0.1107","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107647","8.7138","0.0002","13.5579","0.0005","10.428","0.0003","90","","103.066","0.002","90","","1200.08","0.06","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H20 F4 N2 O8 S -","- C21 H20 F4 N2 O8 S -","- C42 H40 F8 N4 O16 S2 -","2","1","","Robert Weiss; Matthias Bess; Stefan M. Huber; Frank W. Heinemann","Nucleophilic β-Oniovinylation: Concept, Mechanism, Scope, and Applications","Journal of the American Chemical Society","2008","130","","4610","4617","10.1021/ja071316a","","","0.71073","MoKα","","0.0765","0.072","","","0.2124","0.2171","","","","","","1.802","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107648","8.8845","0.0003","9.7575","0.0005","10.9169","0.0008","113.488","0.004","98.016","0.004","101.479","0.003","825.03","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C38 H32 N4 O8 -","2","1","","Robert Weiss; Matthias Bess; Stefan M. Huber; Frank W. Heinemann","Nucleophilic β-Oniovinylation: Concept, Mechanism, Scope, and Applications","Journal of the American Chemical Society","2008","130","","4610","4617","10.1021/ja071316a","","","0.71073","MoKα","","0.0518","0.0384","","","0.0875","0.0945","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107649","13.654","0.003","22.228","0.004","15.352","0.003","90","","103.99","0.003","90","","4521.1","1.6","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H47 Cl2 F6 Mn2 N8 O4 P -","- C41 H47 Cl2 F6 Mn2 N8 O4 P -","- C164 H188 Cl8 F24 Mn8 N32 O16 P4 -","4","1","","Monica Soler; James K. McCusker","Distinguishing between Dexter and Rapid Sequential Electron Transfer in Covalently Linked Donor-Acceptor Assemblies","Journal of the American Chemical Society","2008","130","","4708","4724","10.1021/ja077096i","","","0.71073","MoKα","","0.1608","0.0713","","","0.1464","0.198","","","","","","1.034","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4107650","13.2571","0.0016","22.498","0.003","14.956","0.0018","90","","99.742","0.002","90","","4396.4","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 F6 N9 O4 P Zn2 -","- C42 H48 F6 N9 O4 P Zn2 -","- C168 H192 F24 N36 O16 P4 Zn8 -","4","1","","Monica Soler; James K. McCusker","Distinguishing between Dexter and Rapid Sequential Electron Transfer in Covalently Linked Donor-Acceptor Assemblies","Journal of the American Chemical Society","2008","130","","4708","4724","10.1021/ja077096i","","","0.71073","MoKα","","0.0849","0.039","","","0.0671","0.0741","","","","","","0.984","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4107651","19.696","0.004","8.3139","0.0016","14.012","0.003","90","","96.275","0.002","90","","2280.7","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H41 N5 Pd -","- C19 H41 N5 Pd -","- C76 H164 N20 Pd4 -","4","1","","Stefan Erhardt; Vladimir V. Grushin; Alison H. Kilpatrick; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Mechanisms of Catalyst Poisoning in Palladium-Catalyzed Cyanation of Haloarenes. Remarkably Facile C-N Bond Activation in the [(Ph3P)4Pd]/[Bu4N]+CN-System","Journal of the American Chemical Society","2008","130","","4828","4845","10.1021/ja078298h","","","0.71073","MoKα","","0.0297","0.0235","","","0.0551","0.0585","","","","","","1.056","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107652","11.55","0.003","8.4259","0.0019","38.732","0.008","90","","96.543","0.004","90","","3744.8","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 K N O9 P Pd -","- C35 H47 K N O9 P Pd -","- C140 H188 K4 N4 O36 P4 Pd4 -","4","1","","Stefan Erhardt; Vladimir V. Grushin; Alison H. Kilpatrick; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Mechanisms of Catalyst Poisoning in Palladium-Catalyzed Cyanation of Haloarenes. Remarkably Facile C-N Bond Activation in the [(Ph3P)4Pd]/[Bu4N]+CN-System","Journal of the American Chemical Society","2008","130","","4828","4845","10.1021/ja078298h","","","0.71073","MoKα","","0.1056","0.0536","","","0.1112","0.1313","","","","","","1.057","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4107653","12.025","0.003","20.71","0.004","14.224","0.003","90","","123.98","0.014","90","","2937.4","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H20 N2 -","- C9 H20 N2 -","- C108 H240 N24 -","12","3","","Stefan Erhardt; Vladimir V. Grushin; Alison H. Kilpatrick; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Mechanisms of Catalyst Poisoning in Palladium-Catalyzed Cyanation of Haloarenes. Remarkably Facile C-N Bond Activation in the [(Ph3P)4Pd]/[Bu4N]+CN-System","Journal of the American Chemical Society","2008","130","","4828","4845","10.1021/ja078298h","","","0.71073","MoKα","","0.094","0.0622","","","0.1677","0.1945","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107654","9.1134","0.0008","9.7354","0.0008","10.2226","0.0009","110.877","0.001","93.084","0.001","108.097","0.001","791.57","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 N2 P2 Pd -","- C38 H30 N2 P2 Pd -","- C38 H30 N2 P2 Pd -","1","0.5","","Stefan Erhardt; Vladimir V. Grushin; Alison H. Kilpatrick; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Mechanisms of Catalyst Poisoning in Palladium-Catalyzed Cyanation of Haloarenes. Remarkably Facile C-N Bond Activation in the [(Ph3P)4Pd]/[Bu4N]+CN-System","Journal of the American Chemical Society","2008","130","","4828","4845","10.1021/ja078298h","","","0.71073","MoKα","","0.0269","0.0249","","","0.0621","0.0631","","","","","","1.074","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107655","44.861","0.006","44.861","0.006","10.203","0.002","90","","90","","120","","17783","5","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C252 H300 N24 O18 Zn6 -","- C252 H252 N24 O18 Zn6 -","- C756 H756 N72 O54 Zn18 -","3","0.333333","","Gao Li; Weibin Yu; Yong Cui","A Homochiral Nanotubular Crystalline Framework of Metallomacrocycles for Enantioselective Recognition and Separation","Journal of the American Chemical Society","2008","130","","4582","4583","10.1021/ja078317n","","","0.71073","MoKα","","0.0483","0.0423","","","0.1182","0.1227","","","","","","1.065","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107656","45.037","0.0019","45.037","0.0019","10.3862","0.0009","90","","90","","120","","18244.3","1.9","273","2","273","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C258 H324 N24 O18 Zn6 -","- C258 H252 N24 O18 Zn6 -","- C774 H756 N72 O54 Zn18 -","3","0.333333","","Gao Li; Weibin Yu; Yong Cui","A Homochiral Nanotubular Crystalline Framework of Metallomacrocycles for Enantioselective Recognition and Separation","Journal of the American Chemical Society","2008","130","","4582","4583","10.1021/ja078317n","","","0.71073","MoKα","","0.1262","0.0646","","","0.1462","0.1802","","","","","","1.001","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107657","8.721","0.004","10.414","0.004","13.992","0.005","90","","90","","90","","1270.8","0.9","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N3 O6 -","- C12 H17 N3 O6 -","- C48 H68 N12 O24 -","4","1","","S. M. Abdur Rahman; Sayori Seki; Satoshi Obika; Haruhisa Yoshikawa; Kazuyuki Miyashita; Takeshi Imanishi","Design, Synthesis, and Properties of 2',4'-BNANC: A Bridged Nucleic Acid Analogue","Journal of the American Chemical Society","2008","130","","4886","4896","10.1021/ja710342q","","","0.71075","MoKα","","","0.0291","","","","0.0699","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107658","11.03","0.005","16.207","0.008","16.613","0.008","97.695","0.008","91.885","0.008","98.247","0.009","2909","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C140 H134 N8 O4 P2 Pd Zn2 -","- C140 H134 N8 O4 P2 Pd Zn2 -","- C140 H134 N8 O4 P2 Pd Zn2 -","1","0.5","","Yoshihiro Matano; Kazuaki Matsumoto; Yoshihide Nakao; Hidemitsu Uno; Shigeyoshi Sakaki; Hiroshi Imahori","Regioselective β-Metalation of meso-Phosphanylporphyrins. Structure and Optical Properties of Porphyrin Dimers Linked by Peripherally Fused Phosphametallacycles","Journal of the American Chemical Society","2008","130","","4588","4589","10.1021/ja710542e","","","0.7107","MoKα","","0.0998","0.0691","","","0.169","0.1971","","","","","","1.064","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107659","9.5352","0.0003","6.865","0.0002","15.2561","0.0005","90","","100.276","0.001","90","","982.63","0.05","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C20 H23 Cl O5 -","- C20 H23 Cl O5 -","- C40 H46 Cl2 O10 -","2","1","","Petteri Elsner; Luca Bernardi; Giorgio Dela Salla; Jacob Overgaard; Karl Anker Jørgensen","Organocatalytic Asymmetric Conjugate Addition to Allenic Esters and Ketones","Journal of the American Chemical Society","2008","130","","4897","4905","10.1021/ja710689c","","x-ray","0.71073","MoKα","","0.0402","0.0326","","","0.0668","0.0691","","","","","","1.063","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107660","6.4832","0.0004","10.6951","0.0007","10.6979","0.0005","90","","94.28","0.002","90","","739.71","0.08","100","2","100","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Petteri Elsner; Luca Bernardi; Giorgio Dela Salla; Jacob Overgaard; Karl Anker Jørgensen","Organocatalytic Asymmetric Conjugate Addition to Allenic Esters and Ketones","Journal of the American Chemical Society","2008","130","","4897","4905","10.1021/ja710689c","","x-ray","0.71073","MoKα","","0.0272","0.0245","","","0.0586","0.06","","","","","","1.081","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107661","16.1259","0.0012","15.8846","0.0012","15.5062","0.0011","90","","107.968","0.001","90","","3778.2","0.5","187","2","187","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H47 Cl2 N2 O2 Y -","- C39 H47 Cl2 N2 O2 Y -","- C156 H188 Cl8 N8 O8 Y4 -","4","1","","Wei Gao; Dongmei Cui","Highlycis-1,4 Selective Polymerization of Dienes with Homogeneous Ziegler-Natta Catalysts Based on NCN-Pincer Rare Earth Metal Dichloride Precursors","Journal of the American Chemical Society","2008","130","","4984","4991","10.1021/ja711146t","","","0.71073","MoKα","","0.0875","0.048","","","0.1076","0.1217","","","","","","0.997","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107662","11.3444","0.0012","14.4914","0.0016","21.45","0.002","90","","100.859","0.002","90","","3463.2","0.6","187","2","187","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H47 Cl2 N2 O2 Y -","- C36 H47 Cl2 N2 O2 Y -","- C144 H188 Cl8 N8 O8 Y4 -","4","0.5","","Wei Gao; Dongmei Cui","Highlycis-1,4 Selective Polymerization of Dienes with Homogeneous Ziegler-Natta Catalysts Based on NCN-Pincer Rare Earth Metal Dichloride Precursors","Journal of the American Chemical Society","2008","130","","4984","4991","10.1021/ja711146t","","","0.71073","MoKα","","0.0554","0.042","","","0.1051","0.1099","","","","","","0.973","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4107663","19.9611","0.0013","16.7865","0.0011","23.8821","0.0016","90","","90","","90","","8002.3","0.9","187","2","187","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H55 Cl2 N2 O2 Y -","- C40 H55 Cl2 N2 O2 Y -","- C320 H440 Cl16 N16 O16 Y8 -","8","1","","Wei Gao; Dongmei Cui","Highlycis-1,4 Selective Polymerization of Dienes with Homogeneous Ziegler-Natta Catalysts Based on NCN-Pincer Rare Earth Metal Dichloride Precursors","Journal of the American Chemical Society","2008","130","","4984","4991","10.1021/ja711146t","","","0.71073","MoKα","","0.1012","0.0445","","","0.0968","0.1074","","","","","","0.839","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107664","11.2551","0.0007","14.6513","0.0009","21.5504","0.0014","90","","100.983","0.001","90","","3488.6","0.4","187","2","187","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H47 Cl2 N2 Nd O2 -","- C36 H47 Cl2 N2 Nd O2 -","- C144 H188 Cl8 N8 Nd4 O8 -","4","0.5","","Wei Gao; Dongmei Cui","Highlycis-1,4 Selective Polymerization of Dienes with Homogeneous Ziegler-Natta Catalysts Based on NCN-Pincer Rare Earth Metal Dichloride Precursors","Journal of the American Chemical Society","2008","130","","4984","4991","10.1021/ja711146t","","","0.71073","MoKα","","0.0321","0.0291","","","0.0694","0.071","","","","","","1.08","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4107665","16.5628","0.0004","16.5628","0.0004","16.0229","0.0007","90","","90","","90","","4395.5","0.2","187","2","187","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C44 H63 Cl2 Gd N2 O4 -","- C44 H63 Cl2 Gd N2 O4 -","- C176 H252 Cl8 Gd4 N8 O16 -","4","0.5","","Wei Gao; Dongmei Cui","Highlycis-1,4 Selective Polymerization of Dienes with Homogeneous Ziegler-Natta Catalysts Based on NCN-Pincer Rare Earth Metal Dichloride Precursors","Journal of the American Chemical Society","2008","130","","4984","4991","10.1021/ja711146t","","","0.71073","MoKα","","0.0262","0.0236","","","0.053","0.0542","","","","","","1.058","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107666","11.2671","0.0005","14.6123","0.0007","21.5165","0.001","90","","100.977","0.001","90","","3477.6","0.3","185","2","185","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H47 Cl2 N2 O2 Sm -","- C36 H47 Cl2 N2 O2 Sm -","- C144 H188 Cl8 N8 O8 Sm4 -","4","0.5","","Wei Gao; Dongmei Cui","Highlycis-1,4 Selective Polymerization of Dienes with Homogeneous Ziegler-Natta Catalysts Based on NCN-Pincer Rare Earth Metal Dichloride Precursors","Journal of the American Chemical Society","2008","130","","4984","4991","10.1021/ja711146t","","","0.71073","MoKα","","0.0225","0.0212","","","0.0516","0.0522","","","","","","1.078","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4107667","11.2867","0.0009","14.5619","0.0012","21.4788","0.0018","90","","100.874","0.001","90","","3466.8","0.5","187","2","187","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H43 Cl2 N2 O2 Tb -","- C36 H45 Cl2 N2 O2 Tb -","- C144 H180 Cl8 N8 O8 Tb4 -","4","0.5","","Wei Gao; Dongmei Cui","Highlycis-1,4 Selective Polymerization of Dienes with Homogeneous Ziegler-Natta Catalysts Based on NCN-Pincer Rare Earth Metal Dichloride Precursors","Journal of the American Chemical Society","2008","130","","4984","4991","10.1021/ja711146t","","","0.71073","MoKα","","0.0371","0.0323","","","0.0756","0.0774","","","","","","1.025","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4107668","16.5158","0.001","16.5158","0.001","16.0486","0.0013","90","","90","","90","","4377.6","0.5","273","2","273","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C44 H63 Cl2 Dy N2 O4 -","- C44 H63 Cl2 Dy N2 O4 -","- C176 H252 Cl8 Dy4 N8 O16 -","4","0.5","","Wei Gao; Dongmei Cui","Highlycis-1,4 Selective Polymerization of Dienes with Homogeneous Ziegler-Natta Catalysts Based on NCN-Pincer Rare Earth Metal Dichloride Precursors","Journal of the American Chemical Society","2008","130","","4984","4991","10.1021/ja711146t","","","0.71073","MoKα","","0.0264","0.0236","","","0.0528","0.0539","","","","","","1.066","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107669","11.4405","0.0007","14.3832","0.0009","21.408","0.0014","90","","100.886","0.001","90","","3459.3","0.4","187","2","187","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H47 Cl2 N2 O2 Yb -","- C36 H47 Cl2 N2 O2 Yb -","- C144 H188 Cl8 N8 O8 Yb4 -","4","0.5","","Wei Gao; Dongmei Cui","Highlycis-1,4 Selective Polymerization of Dienes with Homogeneous Ziegler-Natta Catalysts Based on NCN-Pincer Rare Earth Metal Dichloride Precursors","Journal of the American Chemical Society","2008","130","","4984","4991","10.1021/ja711146t","","","0.71073","MoKα","","0.0449","0.036","","","0.079","0.0815","","","","","","0.983","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107670","16.4433","0.0004","16.4433","0.0004","16.0756","0.0008","90","","90","","90","","4346.6","0.3","187","2","187","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C44 H63 Cl2 Lu N2 O4 -","- C44 H63 Cl2 Lu N2 O4 -","- C176 H252 Cl8 Lu4 N8 O16 -","4","0.5","","Wei Gao; Dongmei Cui","Highlycis-1,4 Selective Polymerization of Dienes with Homogeneous Ziegler-Natta Catalysts Based on NCN-Pincer Rare Earth Metal Dichloride Precursors","Journal of the American Chemical Society","2008","130","","4984","4991","10.1021/ja711146t","","","0.71073","MoKα","","0.0165","0.0155","","","0.038","0.0385","","","","","","1.071","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107671","11.5076","0.0012","11.5693","0.0012","15.9984","0.0016","87.713","0.001","69.63","0.001","60.151","0.001","1708.4","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H48 Si2 Zr -","- C37 H48 Si2 Zr -","- C74 H96 Si4 Zr2 -","2","1","","Adam D. Miller; Jennifer L. McBee; T. Don Tilley","Mechanism of Reversible Alkyne Coupling at Zirconocene: Ancillary Ligand Effects","Journal of the American Chemical Society","2008","130","","4992","4999","10.1021/ja800025u","","","0.71073","MoKα","","0.0443","0.0403","","","0.1065","0.1079","","","","","","1.166","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107672","7.5068","0.0018","11.123","0.003","21.788","0.005","78.214","0.004","83.497","0.004","77.487","0.004","1734.1","0.7","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H84 Si4 Zr2 -","- C77 H84 Si4 Zr2 -","- C77 H84 Si4 Zr2 -","1","0.5","","Adam D. Miller; Jennifer L. McBee; T. Don Tilley","Mechanism of Reversible Alkyne Coupling at Zirconocene: Ancillary Ligand Effects","Journal of the American Chemical Society","2008","130","","4992","4999","10.1021/ja800025u","","","0.71073","MoKα","","0.0617","0.0402","","","0.0825","0.0852","","","","","","0.821","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107673","5.1416","0.0005","6.2569","0.0006","13.042","0.001","95.776","0.006","96.975","0.006","98.148","0.006","409.28","0.06","173","0.1","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C6 H3 Cl F5 N -","- C6 H3 Cl F5 N -","- C12 H6 Cl2 F10 N2 -","2","1","","Markus Albrecht; Claudia Wessel; Marita de Groot; Kari Rissanen; Arne Lüchow","Structural Versatility of Anion-π Interactions in Halide Salts with Pentafluorophenyl Substituted Cations","Journal of the American Chemical Society","2008","130","","4600","4601","10.1021/ja800219g","","x-ray","0.71073","MoKα","","0.0559","0.047","","","0.1038","0.1081","","","","","","1.185","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107674","10.5952","0.0003","8.1236","0.0002","13.3024","0.0006","90","","108.961","0.002","90","","1082.83","0.06","173","0.1","173","0.1","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Br F5 N -","- C9 H7 Br F5 N -","- C36 H28 Br4 F20 N4 -","4","1","","Markus Albrecht; Claudia Wessel; Marita de Groot; Kari Rissanen; Arne Lüchow","Structural Versatility of Anion-π Interactions in Halide Salts with Pentafluorophenyl Substituted Cations","Journal of the American Chemical Society","2008","130","","4600","4601","10.1021/ja800219g","","x-ray","0.71073","MoKα","","0.0412","0.0278","","","0.0562","0.0622","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107675","9.9783","0.0006","8.5453","0.0005","14.147","0.0008","90","","106.66","0.006","90","","1155.64","0.12","173","0.1","173","0.1","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 F5 I N -","- C9 H7 F5 I N -","- C36 H28 F20 I4 N4 -","4","1","","Markus Albrecht; Claudia Wessel; Marita de Groot; Kari Rissanen; Arne Lüchow","Structural Versatility of Anion-π Interactions in Halide Salts with Pentafluorophenyl Substituted Cations","Journal of the American Chemical Society","2008","130","","4600","4601","10.1021/ja800219g","","x-ray","0.71073","MoKα","","0.0446","0.0282","","","0.0526","0.0582","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107676","9.3108","0.0002","10.8341","0.0002","10.3856","0.0002","90","","95.51","0.001","90","","1042.8","0.04","153","0.1","153","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Cl F5 N2 -","- C8 H6 Cl F5 N2 -","- C32 H24 Cl4 F20 N8 -","4","1","","Markus Albrecht; Claudia Wessel; Marita de Groot; Kari Rissanen; Arne Lüchow","Structural Versatility of Anion-π Interactions in Halide Salts with Pentafluorophenyl Substituted Cations","Journal of the American Chemical Society","2008","130","","4600","4601","10.1021/ja800219g","","x-ray","0.71073","MoKα","","0.0322","0.0288","","","0.071","0.0733","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107677","7.424","0.0003","7.424","0.0003","19.255","0.0006","90","","90","","90","","1061.25","0.07","173","0.1","173","0.1","","","","","","","synthesis as described","5","P 41","P 4w","76","","","","- C8 H6 Br F5 N2 -","- C8 H6 Br F5 N2 -","- C32 H24 Br4 F20 N8 -","4","1","","Markus Albrecht; Claudia Wessel; Marita de Groot; Kari Rissanen; Arne Lüchow","Structural Versatility of Anion-π Interactions in Halide Salts with Pentafluorophenyl Substituted Cations","Journal of the American Chemical Society","2008","130","","4600","4601","10.1021/ja800219g","","x-ray","0.71073","MoKα","","0.0394","0.0337","","","0.069","0.0722","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107678","8.2351","0.0002","13.4969","0.0004","20.5816","0.0006","90","","91.395","0.002","90","","2286.93","0.11","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Br F5 O P -","- C25 H19 Br F5 O P -","- C100 H76 Br4 F20 O4 P4 -","4","1","","Markus Albrecht; Claudia Wessel; Marita de Groot; Kari Rissanen; Arne Lüchow","Structural Versatility of Anion-π Interactions in Halide Salts with Pentafluorophenyl Substituted Cations","Journal of the American Chemical Society","2008","130","","4600","4601","10.1021/ja800219g","","x-ray","0.71073","MoKα","","0.044","0.0351","","","0.0788","0.0837","","","","","","1.088","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107679","36.988","","12.456","","22.121","","90","","93.44","","90","","10173.3","","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Cs5 H15 O46 Ru2 Si W10 -","- Cs5 O46 Ru2 Si W10 -","- Cs40 O368 Ru16 Si8 W80 -","8","1","","Andrea Sartorel; Mauro Carraro; Gianfranco Scorrano; Rita De Zorzi; Silvano Geremia; Neal D. McDaniel; Stefan Bernhard; Marcella Bonchio","Polyoxometalate Embedding of a Tetraruthenium(IV)-oxo-core by Template-Directed Metalation of [γ-SiW10O36]8-: A Totally Inorganic Oxygen-Evolving Catalyst","Journal of the American Chemical Society","2008","130","","5006","5007","10.1021/ja077837f","","","0.71073","MoKα","","0.0953","0.0717","","","0.2128","0.2368","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107680","12.99","0.0009","16.0879","0.0013","6.1202","0.0004","90","","92.373","0.005","90","","1277.91","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F3 N3 O3 S -","- C12 H8 F3 N3 O3 S -","- C48 H32 F12 N12 O12 S4 -","4","1","","M. Sinan; M. Panda; A. Ghosh; K. Dhara; P. E. Fanwick; D. J. Chattopadhyay; S. Goswami","Mild Synthesis of a Family of Planar Triazinium Cations via Proton-Assisted Cyclization of Pyridyl Containing Azo Compounds and Studies on DNA Intercalation","Journal of the American Chemical Society","2008","130","","5185","5193","10.1021/ja710211u","","","0.71073","MoKα","","0.1038","0.0772","","","0.1563","0.1673","","","","","","1.168","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107681","10.3608","0.0019","25.392","0.005","22.38","0.004","90","","90","","90","","5887.8","1.9","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C68 H66 N8 O12 -","- C68 H66 N8 O12 -","- C272 H264 N32 O48 -","4","0.5","","Shifa Zhu; Joshua V. Ruppel; Hongjian Lu; Lukasz Wojtas; X. Peter Zhang","Cobalt-Catalyzed Asymmetric Cyclopropanation with Diazosulfones: Rigidification and Polarization of Ligand Chiral Environment via Hydrogen Bonding and Cyclization","Journal of the American Chemical Society","2008","130","","5042","5043","10.1021/ja7106838","","","0.71073","MoKα","","0.05","0.0418","","","0.093","0.0964","","","","","","1.096","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107682","7.6379","0.0017","11.269","0.003","15.319","0.003","90","","90","","90","","1318.5","0.5","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","Shifa Zhu; Joshua V. Ruppel; Hongjian Lu; Lukasz Wojtas; X. Peter Zhang","Cobalt-Catalyzed Asymmetric Cyclopropanation with Diazosulfones: Rigidification and Polarization of Ligand Chiral Environment via Hydrogen Bonding and Cyclization","Journal of the American Chemical Society","2008","130","","5042","5043","10.1021/ja7106838","","","0.71073","MoKα","","0.0296","0.0286","","","0.0755","0.0765","","","","","","1.037","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107683","16.369","0.002","18.632","0.003","19.616","0.003","90","","90","","90","","5982.6","1.5","141","2","141","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C32 H47 Br N U -","- C32 H47 Br N U -","- C256 H376 Br8 N8 U8 -","8","1","","Christopher R. Graves; Ping Yang; Stosh A. Kozimor; Anthony E. Vaughn; David L. Clark; Steven D. Conradson; Eric J. Schelter; Brian L. Scott; J. D. Thompson; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger","Organometallic Uranium(V)-Imido Halide Complexes: From Synthesis to Electronic Structure and Bonding","Journal of the American Chemical Society","2008","130","","5272","5285","10.1021/ja711010h","","","0.71073","MoKα","","0.1264","0.1124","","","0.3655","0.3696","","","","","","2.71","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4107684","11.8607","0.0011","17.2023","0.0017","32.273","0.003","90","","90","","90","","6584.7","1.1","141","2","141","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H55 N O U -","- C36 H55 N O U -","- C288 H440 N8 O8 U8 -","8","1","","Christopher R. Graves; Ping Yang; Stosh A. Kozimor; Anthony E. Vaughn; David L. Clark; Steven D. Conradson; Eric J. Schelter; Brian L. Scott; J. D. Thompson; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger","Organometallic Uranium(V)-Imido Halide Complexes: From Synthesis to Electronic Structure and Bonding","Journal of the American Chemical Society","2008","130","","5272","5285","10.1021/ja711010h","","","0.71073","MoKα","","0.0896","0.0399","","","0.0656","0.078","","","","","","1.004","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107685","9.862","0.004","13.817","0.006","12.801","0.005","90","","97.573","0.006","90","","1729.1","1.2","141","2","141","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C38 H59 F N U -","- C38 H59 F N U -","- C76 H118 F2 N2 U2 -","2","0.5","","Christopher R. Graves; Ping Yang; Stosh A. Kozimor; Anthony E. Vaughn; David L. Clark; Steven D. Conradson; Eric J. Schelter; Brian L. Scott; J. D. Thompson; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger","Organometallic Uranium(V)-Imido Halide Complexes: From Synthesis to Electronic Structure and Bonding","Journal of the American Chemical Society","2008","130","","5272","5285","10.1021/ja711010h","","","0.71073","MoKα","","0.1027","0.0511","","","0.0833","0.1","","","","","","0.701","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107686","11.24","0.002","13.272","0.003","13.89","0.003","88.584","0.003","86.627","0.003","74.635","0.003","1994.5","0.7","141","2","141","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H73 Br N U -","- C38 H59 Br N U -","- C76 H118 Br2 N2 U2 -","2","1","","Christopher R. Graves; Ping Yang; Stosh A. Kozimor; Anthony E. Vaughn; David L. Clark; Steven D. Conradson; Eric J. Schelter; Brian L. Scott; J. D. Thompson; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger","Organometallic Uranium(V)-Imido Halide Complexes: From Synthesis to Electronic Structure and Bonding","Journal of the American Chemical Society","2008","130","","5272","5285","10.1021/ja711010h","","","0.71073","MoKα","","0.0683","0.0485","","","0.1","0.1067","","","","","","0.95","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107687","10.2796","0.0006","18.7063","0.0011","16.1905","0.0009","90","","106.656","0.001","90","","2982.7","0.3","141","2","141","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H47 Cl N U -","- C32 H47 Cl N U -","- C128 H188 Cl4 N4 U4 -","4","1","","Christopher R. Graves; Ping Yang; Stosh A. Kozimor; Anthony E. Vaughn; David L. Clark; Steven D. Conradson; Eric J. Schelter; Brian L. Scott; J. D. Thompson; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger","Organometallic Uranium(V)-Imido Halide Complexes: From Synthesis to Electronic Structure and Bonding","Journal of the American Chemical Society","2008","130","","5272","5285","10.1021/ja711010h","","","0.71073","MoKα","","0.0556","0.0395","","","0.0976","0.1033","","","","","","1.367","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4107688","6.6794","0.0003","9.7679","0.0005","20.0851","0.0009","90","","90","","90","","1310.43","0.11","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C52 H68 N4 O16 S4 -","4","1","","Aaron R. Thornton; Simon B. Blakey","Catalytic Metallonitrene/Alkyne Metathesis: A Powerful Cascade Process for the Synthesis of Nitrogen-Containing Molecules","Journal of the American Chemical Society","2008","130","","5020","5021","10.1021/ja7111788","","","1.54178","CuKα","","0.0217","0.0217","","","0.0573","0.0573","","","","","","1.079","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107689","27.957","0.007","7.6891","0.0017","11.327","0.002","90","","98.949","0.013","90","","2405.3","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H17 N O4 S -","- C10 H17 N O4 S -","- C80 H136 N8 O32 S8 -","8","1","","Aaron R. Thornton; Simon B. Blakey","Catalytic Metallonitrene/Alkyne Metathesis: A Powerful Cascade Process for the Synthesis of Nitrogen-Containing Molecules","Journal of the American Chemical Society","2008","130","","5020","5021","10.1021/ja7111788","","","1.54178","CuKα","","0.2518","0.1341","","","0.2789","0.3531","","","","","","1.14","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107690","7.3392","0.0002","9.704","0.0002","12.7562","0.0003","100.181","0.001","98.924","0.001","99.436","0.001","866.09","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 N O4 S -","- C19 H21 N O4 S -","- C38 H42 N2 O8 S2 -","2","1","","Aaron R. Thornton; Simon B. Blakey","Catalytic Metallonitrene/Alkyne Metathesis: A Powerful Cascade Process for the Synthesis of Nitrogen-Containing Molecules","Journal of the American Chemical Society","2008","130","","5020","5021","10.1021/ja7111788","","","1.54178","CuKα","","0.0334","0.0328","","","0.0913","0.0918","","","","","","1.051","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107691","14.9","0.002","14.9","0.002","38.795","0.005","90","","90","","90","","8613","2","123.2","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C47 H53 N O10 -","- C47 H50 N O10 -","- C376 H400 N8 O80 -","8","0.5","","Tomoki Ogoshi; Suguru Kanai; Shuhei Fujinami; Tada-aki Yamagishi; Yoshiaki Nakamoto","para-Bridged Symmetrical Pillar[5]arenes: Their Lewis Acid Catalyzed Synthesis and Host-Guest Property","Journal of the American Chemical Society","2008","130","","5022","5023","10.1021/ja711260m","","","0.7107","MoKα","","","0.0459","","","","0.0635","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107692","10.614","0.006","15.276","0.009","22.765","0.013","97.618","0.009","94.054","0.009","100.371","0.009","3582","4","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C123 H114 B2 Cl18 F8 Fe4 O6 P8 S4 -","- C123 H114 B2 Cl18 F8 Fe4 O6 P8 S4 -","- C123 H114 B2 Cl18 F8 Fe4 O6 P8 S4 -","1","0.5","","Aaron K. Justice; Mark J. Nilges; Thomas B. Rauchfuss; Scott R. Wilson; Luca De Gioia; Giuseppe Zampella","Diiron Dithiolato Carbonyls Related to the HoxCO State of [FeFe]-Hydrogenase","Journal of the American Chemical Society","2008","130","","5293","5301","10.1021/ja7113008","","","0.71073","MoKα","","0.0836","0.0594","","","0.1778","0.1936","","","","","","1.038","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107693","10.5296","0.0009","16.4228","0.0014","19.2603","0.0016","88.476","0.006","74.783","0.005","86.22","0.005","3206.7","0.5","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H54 Cl6 F6 Fe2 O3 P5 S2 -","- C60 H54 Cl6 F6 Fe2 O3 P5 S2 -","- C120 H108 Cl12 F12 Fe4 O6 P10 S4 -","2","1","","Aaron K. Justice; Mark J. Nilges; Thomas B. Rauchfuss; Scott R. Wilson; Luca De Gioia; Giuseppe Zampella","Diiron Dithiolato Carbonyls Related to the HoxCO State of [FeFe]-Hydrogenase","Journal of the American Chemical Society","2008","130","","5293","5301","10.1021/ja7113008","","","0.71073","MoKα","","0.1456","0.0829","","","0.2139","0.2573","","","","","","1.041","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107694","19.3707","0.0004","19.3707","0.0004","32.1948","0.0006","90","","90","","90","","12080.3","0.4","93.1","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C51 H87 N O38 -","- C51 H54 N O38 -","- C408 H432 N8 O304 -","8","1","","Kazuhiro Yamauchi; Yoshinori Takashima; Akihito Hashidzume; Hiroyasu Yamaguchi; Akira Harada","Switching between Supramolecular Dimer and Nonthreaded Supramolecular Self-Assembly of Stilbene Amide-α-Cyclodextrin by Photoirradiation","Journal of the American Chemical Society","2008","130","","5024","5025","10.1021/ja7113135","","","1.54187","CuKα","","","0.1193","","","","0.3416","","","","","","1.202","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107695","8.8454","0.0002","11.7317","0.0002","28.2835","0.0008","90","","90","","90","","2935.02","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H29 N O3 -","- C40 H29 N O3 -","- C160 H116 N4 O12 -","4","1","","Andrei V. Malkov; Pedro Ramírez-López; Lada Biedermannová; Lubomír Rulíšek; Lenka Dufková; Martin Kotora; Fujiang Zhu; Pavel Kočovský","On the Mechanism of Asymmetric Allylation of Aldehydes with Allyltrichlorosilanes Catalyzed by QUINOX, a Chiral IsoquinolineN-Oxide","Journal of the American Chemical Society","2008","130","","5341","5348","10.1021/ja711338q","","","1.54184","CuKα","","0.0399","0.0279","","","0.0541","0.0566","","","","","","0.822","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107696","8.4376","0.0003","11.0277","0.0004","12.2187","0.0004","67.767","0.001","87.205","0.001","75.778","0.001","1018.9","0.06","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N2 O6 -","- C22 H28 N2 O6 -","- C44 H56 N4 O12 -","2","1","","Amy B. Dounay; Philip G. Humphreys; Larry E. Overman; Aaron D. Wrobleski","Total Synthesis of the Strychnos Alkaloid (+)-Minfiensine: Tandem Enantioselective Intramolecular Heck-Iminium Ion Cyclization","Journal of the American Chemical Society","2008","130","","5368","5377","10.1021/ja800163v","","","0.71073","MoKα","","0.0541","0.0392","","","0.0873","0.0967","","","","","","1.012","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107697","9.1441","0.001","11.2146","0.0012","13.2384","0.0014","90","","106.311","0.002","90","","1302.9","0.2","163","2","163","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H31 Br N2 O6 -","- C28 H31 Br N2 O6 -","- C56 H62 Br2 N4 O12 -","2","1","","Amy B. Dounay; Philip G. Humphreys; Larry E. Overman; Aaron D. Wrobleski","Total Synthesis of the Strychnos Alkaloid (+)-Minfiensine: Tandem Enantioselective Intramolecular Heck-Iminium Ion Cyclization","Journal of the American Chemical Society","2008","130","","5368","5377","10.1021/ja800163v","","","0.71073","MoKα","","0.0359","0.0293","","","0.0647","0.0681","","","","","","1.027","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107698","8.327","0.0009","13.7521","0.0015","14.4796","0.0016","90","","90","","90","","1658.1","0.3","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","1","","Amy B. Dounay; Philip G. Humphreys; Larry E. Overman; Aaron D. Wrobleski","Total Synthesis of the Strychnos Alkaloid (+)-Minfiensine: Tandem Enantioselective Intramolecular Heck-Iminium Ion Cyclization","Journal of the American Chemical Society","2008","130","","5368","5377","10.1021/ja800163v","","","0.71073","MoKα","","0.0354","0.0314","","","0.0774","0.0809","","","","","","1.053","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107699","7.0806","0.0007","12.8663","0.0013","18.7817","0.0019","90","","90","","90","","1711","0.3","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C80 H96 N8 O12 -","4","1","","Amy B. Dounay; Philip G. Humphreys; Larry E. Overman; Aaron D. Wrobleski","Total Synthesis of the Strychnos Alkaloid (+)-Minfiensine: Tandem Enantioselective Intramolecular Heck-Iminium Ion Cyclization","Journal of the American Chemical Society","2008","130","","5368","5377","10.1021/ja800163v","","","0.71073","MoKα","","0.0336","0.0313","","","0.0815","0.0839","","","","","","1.075","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107700","19.114","0.005","20.233","0.005","25.671","0.005","109.406","0.005","99.042","0.005","92.413","0.005","9200","4","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","FeC60C6H4COOH5_THF","","- C280 H100 Fe2 O20 -","- C245 H132 Fe2 O32 -","- C490 H264 Fe4 O64 -","2","1","","Yutaka Matsuo; Katsuhiko Kanaizuka; Keiko Matsuo; Yu-Wu Zhong; Takahiro Nakae; Eiichi Nakamura","Photocurrent-Generating Properties of Organometallic Fullerene Molecules on an Electrode","Journal of the American Chemical Society","2008","130","","5016","5017","10.1021/ja800481d","","x-ray","0.71069","MoKα","","0.2116","0.1276","","","0.343","0.413","","","","","","1.264","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107701","8.822","0.0002","11.8739","0.0002","25.7218","0.0008","85.304","0.002","80.747","0.001","85.016","0.001","2642.96","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H62 N4 O21 -","- C54 H62 N4 O21 -","- C108 H124 N8 O42 -","2","1","","Catherine Hulot; Gaëlle Blond; Jean Suffert","Synthesis of [4.6.4.6]Fenestradienes and [4.6.4.6]Fenestrenes Based on an 8π-6π-Cyclization-Oxidation Cascade","Journal of the American Chemical Society","2008","130","","5046","5047","10.1021/ja800691c","","","0.71073","MoKα","","0.0951","0.0509","","","0.1224","0.1431","","","","","","1.047","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107702","12.6737","0.0001","12.6737","0.0001","61.6213","0.0008","90","","90","","90","","9897.78","0.17","153.1","","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- Cs8 O95.25 Si2 W20 Zr4 -","- Cs7.96 O97 Si2 W20 Zr4 -","- Cs31.84 O388 Si8 W80 Zr16 -","4","0.5","","Yuji Kikukawa; Syuhei Yamaguchi; Kazutaka Tsuchida; Yoshinao Nakagawa; Kazuhiro Uehara; Kazuya Yamaguchi; Noritaka Mizuno","Synthesis and Catalysis of Di- and Tetranuclear Metal Sandwich-Type Silicotungstates [(γ-SiW10O36)2M2(μ-OH)2]10- and [(γ-SiW10O36)2M4(μ4-O)(μ-OH)6]8- (M = Zr or Hf)","Journal of the American Chemical Society","2008","130","","5472","5478","10.1021/ja078313i","","","0.71069","MoKα","","","0.0762","","","","0.2304","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107703","25.3315","0.0008","22.6699","0.0007","18.5533","0.0006","90","","123.9","0.0012","90","","8843.3","0.5","153.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cs10 O78 Si2 W20 Zr2 -","- Cs10 O78 Si2 W20 Zr2 -","- Cs40 O312 Si8 W80 Zr8 -","4","0.5","","Yuji Kikukawa; Syuhei Yamaguchi; Kazutaka Tsuchida; Yoshinao Nakagawa; Kazuhiro Uehara; Kazuya Yamaguchi; Noritaka Mizuno","Synthesis and Catalysis of Di- and Tetranuclear Metal Sandwich-Type Silicotungstates [(γ-SiW10O36)2M2(μ-OH)2]10- and [(γ-SiW10O36)2M4(μ4-O)(μ-OH)6]8- (M = Zr or Hf)","Journal of the American Chemical Society","2008","130","","5472","5478","10.1021/ja078313i","","","0.71069","MoKα","","","0.0739","","","","0.2701","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107704","12.6813","0.0001","12.6813","0.0001","61.5483","0.0009","90","","90","","90","","9897.91","0.18","153.1","","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- Cs8 Hf4 O97 Si2 W20 -","- Cs7.98 Hf4 O97 Si2 W20 -","- Cs31.92 Hf16 O388 Si8 W80 -","4","0.5","","Yuji Kikukawa; Syuhei Yamaguchi; Kazutaka Tsuchida; Yoshinao Nakagawa; Kazuhiro Uehara; Kazuya Yamaguchi; Noritaka Mizuno","Synthesis and Catalysis of Di- and Tetranuclear Metal Sandwich-Type Silicotungstates [(γ-SiW10O36)2M2(μ-OH)2]10- and [(γ-SiW10O36)2M4(μ4-O)(μ-OH)6]8- (M = Zr or Hf)","Journal of the American Chemical Society","2008","130","","5472","5478","10.1021/ja078313i","","","0.71073","MoKα","","","0.0835","","","","0.2133","","","","","","1.064","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4107705","25.3847","0.0016","22.6121","0.0014","18.8703","0.0011","90","","124.046","0.003","90","","8974.9","1","153.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cs10 Hf2 O86 Si2 W20 -","- Cs10.01 Hf2 O86 Si2 W20 -","- Cs40.04 Hf8 O344 Si8 W80 -","4","0.5","","Yuji Kikukawa; Syuhei Yamaguchi; Kazutaka Tsuchida; Yoshinao Nakagawa; Kazuhiro Uehara; Kazuya Yamaguchi; Noritaka Mizuno","Synthesis and Catalysis of Di- and Tetranuclear Metal Sandwich-Type Silicotungstates [(γ-SiW10O36)2M2(μ-OH)2]10- and [(γ-SiW10O36)2M4(μ4-O)(μ-OH)6]8- (M = Zr or Hf)","Journal of the American Chemical Society","2008","130","","5472","5478","10.1021/ja078313i","","","0.71069","MoKα","","","0.0644","","","","0.211","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107706","10.303","0.0002","10.9384","0.0002","14.1351","0.0003","93.0804","0.0006","109.592","0.0007","114.887","0.0009","1325.56","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H47 N5 O2 -","- C25 H47 N5 O2 -","- C50 H94 N10 O4 -","2","1","","Tom F. A. de Greef; G. B. W. L. Ligthart; Martin Lutz; Anthony L. Spek; E. W. Meijer; Rint P. Sijbesma","The Mechanism of Ureido-Pyrimidinone:2,7-Diamido-Naphthyridine Complexation and the Presence of Kinetically Controlled Pathways in Multicomponent Hydrogen-Bonded Systems","Journal of the American Chemical Society","2008","130","","5479","5486","10.1021/ja709971y","","","0.71073","MoKα","","0.0769","0.0474","","","0.1129","0.1266","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107707","10.37","0.004","11.147","0.005","16.958","0.006","81.84","0.02","71.978","0.016","86.48","0.02","1844.9","1.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H122 Co N2 O8 -","- C74 H122 Co N2 O8 -","- C74 H122 Co N2 O8 -","1","0.5","","Daisuke Kiriya; Ho-Chol Chang; Susumu Kitagawa","Molecule-Based Valence Tautomeric Bistability Synchronized with a Macroscopic Crystal-Melt Phase Transition","Journal of the American Chemical Society","2008","130","","5515","5522","10.1021/ja711268u","","","0.7107","MoKα","","0.0614","0.0564","","","0.1554","0.1623","","","","","","1.064","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107708","10.3238","0.0019","11.0821","0.0019","20.529","0.003","72.571","0.007","75.31","0.009","85.763","0.01","2167.6","0.6","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H146 Co N2 O8 -","- C86 H146 Co N2 O8 -","- C86 H146 Co N2 O8 -","1","0.5","","Daisuke Kiriya; Ho-Chol Chang; Susumu Kitagawa","Molecule-Based Valence Tautomeric Bistability Synchronized with a Macroscopic Crystal-Melt Phase Transition","Journal of the American Chemical Society","2008","130","","5515","5522","10.1021/ja711268u","","","0.7107","MoKα","","0.0581","0.0569","","","0.1546","0.1563","","","","","","1.05","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107709","10.239","0.005","11.233","0.007","23.234","0.013","85.803","0.013","77.468","0.015","86.421","0.013","2599","3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H186 Co N2 O8 -","- C106 H186 Co N2 O8 -","- C106 H186 Co N2 O8 -","1","0.5","","Daisuke Kiriya; Ho-Chol Chang; Susumu Kitagawa","Molecule-Based Valence Tautomeric Bistability Synchronized with a Macroscopic Crystal-Melt Phase Transition","Journal of the American Chemical Society","2008","130","","5515","5522","10.1021/ja711268u","","","0.7107","MoKα","","0.0771","0.0648","","","0.1679","0.1836","","","","","","1.045","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107710","8.1971","0.0016","12.382","0.002","8.2137","0.0016","90","","96.243","0.004","90","","828.7","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H18 Br N O3 -","- C17 H18 Br N O3 -","- C34 H36 Br2 N2 O6 -","2","1","","Peng Fu; Marc L. Snapper; Amir H. Hoveyda","Catalytic Asymmetric Alkylations of Ketoimines. Enantioselective Synthesis of N-Substituted Quaternary Carbon Stereogenic Centers by Zr-Catalyzed Additions of Dialkylzinc Reagents to Aryl-, Alkyl-, and Trifluoroalkyl-Substituted Ketoimines","Journal of the American Chemical Society","2008","130","","5530","5541","10.1021/ja8001343","","","0.71073","MoKα","","0.0603","0.0492","","","0.1275","0.1342","","","","","","1.056","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107711","8.406","0.0016","8.9678","0.0017","9.7905","0.0019","99.208","0.003","101.481","0.003","90.237","0.003","713.5","0.2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Peng Fu; Marc L. Snapper; Amir H. Hoveyda","Catalytic Asymmetric Alkylations of Ketoimines. Enantioselective Synthesis of N-Substituted Quaternary Carbon Stereogenic Centers by Zr-Catalyzed Additions of Dialkylzinc Reagents to Aryl-, Alkyl-, and Trifluoroalkyl-Substituted Ketoimines","Journal of the American Chemical Society","2008","130","","5530","5541","10.1021/ja8001343","","","0.71073","MoKα","","0.072","0.0562","","","0.1305","0.1402","","","","","","1.101","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107712","6.464","0.003","8.621","0.004","29.556","0.011","90","","90","","90","","1647","1.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Br N O3 -","- C17 H18 Br N O3 -","- C68 H72 Br4 N4 O12 -","4","1","","Peng Fu; Marc L. Snapper; Amir H. Hoveyda","Catalytic Asymmetric Alkylations of Ketoimines. Enantioselective Synthesis of N-Substituted Quaternary Carbon Stereogenic Centers by Zr-Catalyzed Additions of Dialkylzinc Reagents to Aryl-, Alkyl-, and Trifluoroalkyl-Substituted Ketoimines","Journal of the American Chemical Society","2008","130","","5530","5541","10.1021/ja8001343","","","0.71073","MoKα","","0.0338","0.0293","","","0.0685","0.0699","","","","","","0.995","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107713","17.481","0.017","10.909","0.01","8.872","0.008","90","","92.071","0.018","90","","1691","3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","","Qing-Gang Wang; Xian-Ming Deng; Ben-Hu Zhu; Long-Wu Ye; Xiu-Li Sun; Chuan-Ying Li; Chun-Yin Zhu; Qi Shen; Yong Tang","Tandem Michael Addition/Ylide Epoxidation for the Synthesis of Highly Functionalized Cyclohexadiene Epoxide Derivatives","Journal of the American Chemical Society","2008","130","","5408","5409","10.1021/ja800747m","","","0.71073","MoKα","","0.2114","0.0838","","","0.2453","0.3628","","","","","","0.871","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107714","7.7112","0.001","8.5369","0.0011","18.596","0.002","90","","97.402","0.003","90","","1214","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","","Qing-Gang Wang; Xian-Ming Deng; Ben-Hu Zhu; Long-Wu Ye; Xiu-Li Sun; Chuan-Ying Li; Chun-Yin Zhu; Qi Shen; Yong Tang","Tandem Michael Addition/Ylide Epoxidation for the Synthesis of Highly Functionalized Cyclohexadiene Epoxide Derivatives","Journal of the American Chemical Society","2008","130","","5408","5409","10.1021/ja800747m","","","0.71073","MoKα","","0.0749","0.0504","","","0.118","0.1274","","","","","","0.917","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107715","6.2797","0.0015","24.896","0.006","10.252","0.002","90","","93.604","0.004","90","","1599.6","0.6","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C76 H76 Br4 O8 -","4","1","","Qing-Gang Wang; Xian-Ming Deng; Ben-Hu Zhu; Long-Wu Ye; Xiu-Li Sun; Chuan-Ying Li; Chun-Yin Zhu; Qi Shen; Yong Tang","Tandem Michael Addition/Ylide Epoxidation for the Synthesis of Highly Functionalized Cyclohexadiene Epoxide Derivatives","Journal of the American Chemical Society","2008","130","","5408","5409","10.1021/ja800747m","","","0.71073","MoKα","","0.0809","0.0618","","","0.1451","0.1785","","","","","","1.004","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107716","12.5823","0.0014","14.2036","0.0016","19.828","0.002","83.4582","0.0013","73.2027","0.0014","86.7306","0.0014","3369.2","0.6","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H51 B F24 Fe Ga I P2 -","- C67.408 H50.778 B0.9815 F23.5575 Fe Ga I1.0185 P2 -","- C134.816 H101.556 B1.963 F47.115 Fe2 Ga2 I2.037 P4 -","2","1","","Natalie D. Coombs; William Clegg; Amber L. Thompson; David J. Willock; Simon Aldridge","A Group 13/Group 17 Analogue of CO and N2: Coordinative Trapping of the GaI Molecule","Journal of the American Chemical Society","2008","130","","5449","5451","10.1021/ja800876k","","","0.671","synchrotron","","0.0931","0.0575","","","0.1388","0.1571","","","","","","1.041","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107717","11.0237","0.0002","19.0641","0.0003","22.2038","0.0004","109.44","0.001","95.792","0.001","90.752","0.001","4372.37","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44.75 H49 Fe Ga I2 P2 -","- C44.75 H49 Fe Ga I2 P2 -","- C179 H196 Fe4 Ga4 I8 P8 -","4","2","","Natalie D. Coombs; William Clegg; Amber L. Thompson; David J. Willock; Simon Aldridge","A Group 13/Group 17 Analogue of CO and N2: Coordinative Trapping of the GaI Molecule","Journal of the American Chemical Society","2008","130","","5449","5451","10.1021/ja800876k","","","0.71073","MoKα","","0.139","0.0663","","","0.1484","0.1776","","","","","","1.008","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107718","12.0861","0.0012","14.1868","0.0015","7.3728","0.0007","90","","90","","90","","1264.2","0.2","200","2","200","2","","","","","","","chemical synthesis","6","P n m a","-P 2ac 2n","62","","Diaquacobalt Tetracyanopalladate Tetrahydrate","","- C4 H12 Co N4 O6 Pd -","- C4 H12 Co N4 O6 Pd -","- C16 H48 Co4 N16 O24 Pd4 -","4","0.5","","Martina Vondrova; Tyrel M. McQueen; Christine M. Burgess; Douglas M. Ho; Andrew B. Bocarsly","Autoreduction of Pd-Co and Pt-Co Cyanogels: Exploration of Cyanometalate Coordination Chemistry at Elevated Temperatures","Journal of the American Chemical Society","2008","130","","5563","5572","10.1021/ja8009764","","","0.71073","MoKα","","0.0813","0.0531","","0.1449","","0.1263","","","1.064","","","1.153","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107719","8.311","0.0018","19.218","0.007","14.77","0.004","90","","97.658","0.013","90","","2338","1.2","298.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 Cl O4 -","- C26 H27 Cl O4 -","- C104 H108 Cl4 O16 -","4","1","","Ken-ichiro Kanno; Eri Igarashi; Lishan Zhou; Kiyohiko Nakajima; Tamotsu Takahashi","Selective Linear Triene Formation from Different Alkynes using Zr/Cu system","Journal of the American Chemical Society","2008","130","","5624","5625","10.1021/ja8000387","","","0.71075","MoKα","","","0.0461","","","","0.0927","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107720","8.462","0.003","20.401","0.005","19.553","0.008","90","","92.919","0.014","90","","3371","2","298.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Cl O6 S -","- C35 H35 Cl O6 S -","- C140 H140 Cl4 O24 S4 -","4","1","","Ken-ichiro Kanno; Eri Igarashi; Lishan Zhou; Kiyohiko Nakajima; Tamotsu Takahashi","Selective Linear Triene Formation from Different Alkynes using Zr/Cu system","Journal of the American Chemical Society","2008","130","","5624","5625","10.1021/ja8000387","","","0.71075","MoKα","","","0.0458","","","","0.0621","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107721","6.33947","0.00012","11.379","0.00012","23.8625","0.0007","90","","90","","90","","1721.37","0.06","153.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C72 H88 N8 O12 -","4","1","","Akihiro Nojiri; Naoya Kumagai; Masakatsu Shibasaki","Asymmetric Catalysis via Dynamic Substrate/Ligand/Rare Earth Metal Conglomerate","Journal of the American Chemical Society","2008","130","","5630","5631","10.1021/ja800326d","","","1.54187","CuKα","","","0.0314","","","","0.0718","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107722","7.49574","0.00016","10.9673","0.0002","21.8976","0.0005","90","","90","","90","","1800.16","0.07","153.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C76 H96 N8 O12 -","4","1","","Akihiro Nojiri; Naoya Kumagai; Masakatsu Shibasaki","Asymmetric Catalysis via Dynamic Substrate/Ligand/Rare Earth Metal Conglomerate","Journal of the American Chemical Society","2008","130","","5630","5631","10.1021/ja800326d","","","1.54187","CuKα","","","0.0328","","","","0.0848","","","","","","1.199","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107723","13.5139","0.0003","13.5518","0.0003","20.3459","0.0004","89.7632","0.0011","89.9457","0.0011","87.7746","0.0011","3723.26","0.14","153.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C18 H21 Cl N2 O3 -","- C18 H21 Cl N2 O3 -","- C144 H168 Cl8 N16 O24 -","8","8","","Akihiro Nojiri; Naoya Kumagai; Masakatsu Shibasaki","Asymmetric Catalysis via Dynamic Substrate/Ligand/Rare Earth Metal Conglomerate","Journal of the American Chemical Society","2008","130","","5630","5631","10.1021/ja800326d","","","1.54187","CuKα","","","0.052","","","","0.1576","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107724","15.2764","0.0003","12.2814","0.0002","21.5584","0.0004","90","","109.255","0.0013","90","","3818.44","0.12","93.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 N2 O3 -","- C20 H26 N2 O3 -","- C160 H208 N16 O24 -","8","1","","Akihiro Nojiri; Naoya Kumagai; Masakatsu Shibasaki","Asymmetric Catalysis via Dynamic Substrate/Ligand/Rare Earth Metal Conglomerate","Journal of the American Chemical Society","2008","130","","5630","5631","10.1021/ja800326d","","","1.54187","CuKα","","","0.0668","","","","0.2175","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107725","22.818","0.007","13.06","0.004","11.516","0.003","90","","100.102","0.006","90","","3378.6","1.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Cl3 N3 O3 -","- C34 H44.92 Cl3 N3 O3 -","- C136 H179.68 Cl12 N12 O12 -","4","1","","Pierre Baillargeon; Yves L. Dory","Rational Design and Gas-Phase Characterization of Molecular Capsules by Self-Assembly of a Symmetric Hexasubstituted Benzene with Seven-Membered Lactams","Journal of the American Chemical Society","2008","130","","5640","5641","10.1021/ja800734b","","","0.71073","MoKα","","0.0646","0.0424","","","0.1245","0.1391","","","","","","1.074","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107726","8.4827","0.0009","13.8667","0.0017","18.602","0.006","90","","101.033","0.015","90","","2147.7","0.8","","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl3 Cu N4 O4 -","- C19 H19 Cl3 Cu N4 O4 -","- C76 H76 Cl12 Cu4 N16 O16 -","4","1","","Debabrata Maiti; Amy A. Narducci Sarjeant; Shinobu Itoh; Kenneth D. Karlin","Suggestion of an Organometallic Intermediate in an Intramolecular Dechlorination Reaction Involving Copper(I) and a ArCH2Cl Moiety","Journal of the American Chemical Society","2008","130","","5644","5645","10.1021/ja800795b","","","0.71073","MoKα","","0.058","0.0374","","","0.1003","0.1107","","","","","","1.093","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107727","12.7444","0.0019","12.953","0.002","14.82","0.003","64.73","0.02","84.485","0.015","83.126","0.013","2193.7","0.7","","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H21 B Cl4 Cu F20 N4 -","- C44 H21 B Cl4 Cu F20 N4 -","- C88 H42 B2 Cl8 Cu2 F40 N8 -","2","1","","Debabrata Maiti; Amy A. Narducci Sarjeant; Shinobu Itoh; Kenneth D. Karlin","Suggestion of an Organometallic Intermediate in an Intramolecular Dechlorination Reaction Involving Copper(I) and a ArCH2Cl Moiety","Journal of the American Chemical Society","2008","130","","5644","5645","10.1021/ja800795b","","","0.71073","MoKα","","0.0754","0.0473","","","0.1257","0.1471","","","","","","1.136","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107728","21.57","0.0008","22.1013","0.0008","10.0759","0.0003","90","","90","","90","","4803.4","0.3","93.1","","","","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C48 H128 Cl8 N28 Ni4 O54 -","- C48 H108 Cl8 N28 Ni4 O54 -","- C96 H216 Cl16 N56 Ni8 O108 -","2","0.5","","Ryosuke Miyake; Shohei Tashiro; Motoo Shiro; Kentaro Tanaka; Mitsuhiko Shionoya","Ni(II)-Mediated Self-Assembly of Artificial β-Dipeptides Forming a Macrocyclic Tetranuclear Complex with Interior Spaces for In-Line Molecular Arrangement","Journal of the American Chemical Society","2008","130","","5646","5647","10.1021/ja8009555","","","0.71075","MoKα","","","0.0705","","","","0.2274","","","","","","1.092","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107729","11.331","0.003","17.97","0.004","15.809","0.003","90","","110.63","0.004","90","","3012.6","1.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 N5 O Sn3 -","- C29 H37 N5 O Sn3 -","- C116 H148 N20 O4 Sn12 -","4","1","","Alexander V. Zabula; Tania Pape; Alexander Hepp; Falko M. Schappacher; Ute Ch. Rodewald; Rainer Pöttgen; F. Ekkehardt Hahn","Trapping of Tin(II) and Lead(II) Homologues of Carbon Monoxide by a Benzannulated Lutidine-Bridged Bisstannylene","Journal of the American Chemical Society","2008","130","","5648","5649","10.1021/ja801000b","","","0.71073","MoKα","","0.0542","0.0381","","","0.079","0.0843","","","","","","1.018","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107730","13.944","0.0016","17.45","0.002","18.007","0.002","114.633","0.002","112.534","0.002","91.377","0.002","3589.5","0.7","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H44.5 N5 O1.5 Pb Sn2 -","- C32.5 H44.5 N5 O1.5 Pb Sn2 -","- C130 H178 N20 O6 Pb4 Sn8 -","4","2","","Alexander V. Zabula; Tania Pape; Alexander Hepp; Falko M. Schappacher; Ute Ch. Rodewald; Rainer Pöttgen; F. Ekkehardt Hahn","Trapping of Tin(II) and Lead(II) Homologues of Carbon Monoxide by a Benzannulated Lutidine-Bridged Bisstannylene","Journal of the American Chemical Society","2008","130","","5648","5649","10.1021/ja801000b","","","0.71073","MoKα","","0.0691","0.0468","","","0.1184","0.1276","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107731","11.4513","0.0005","12.4207","0.0008","15.2454","0.0006","90","","90","","90","","2168.4","0.19","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","none","","","- C20 H24 Br N O8 -","- C20 H24 Br N O8 -","- C80 H96 Br4 N4 O32 -","4","1","","Xiao-Hua Chen; Wen-Quan Zhang; Liu-Zhu Gong","Asymmetric Organocatalytic Three-Component 1,3-Dipolar Cycloaddition: Control of Stereochemistry via a Chiral Brønsted Acid Activated Dipole","Journal of the American Chemical Society","2008","130","","5652","5653","10.1021/ja801034e","","","0.71073","MoKα","","0.0837","0.0422","","","0.0956","0.1081","","","","","","0.982","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107732","10.251","0.003","9.229","0.002","14.677","0.004","90","","110.152","0.004","90","","1303.5","0.6","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H30 N O6 P -","- C28 H30 N O6 P -","- C56 H60 N2 O12 P2 -","2","1","","Yuan-Qing Fang; Eric N. Jacobsen","Cooperative, Highly Enantioselective Phosphinothiourea Catalysis of Imine-Allene [3 + 2] Cycloadditions","Journal of the American Chemical Society","2008","130","","5660","5661","10.1021/ja801344w","","","0.71073","MoKα","","0.0347","0.0318","","","0.0777","0.0799","","","","","","1.036","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107733","11.65564","0.00013","15.77604","0.00014","15.8509","0.0002","90","","114.267","0.001","90","","2657.12","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 N4 O4 Re -","- C29 H29 N4 O4 Re -","- C116 H116 N16 O16 Re4 -","4","1","","Miguel A. Huertos; Julio Pérez; Lucía Riera","Pyridine Ring Opening at Room Temperature at a Rhenium Tricarbonyl Bipyridine Complex","Journal of the American Chemical Society","2008","130","","5662","5663","10.1021/ja801655d","","","1.54184","CuKα","","0.051","0.0423","","","0.1183","0.1269","","","","","","1.241","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107734","11.4968","0.0001","24.969","0.0002","27.7281","0.0002","90","","90","","90","","7959.73","0.11","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 Cl6 F3 N4 O6 Re S -","- C32 H30 Cl6 F3 N4 O6 Re S -","- C256 H240 Cl48 F24 N32 O48 Re8 S8 -","8","2","","Miguel A. Huertos; Julio Pérez; Lucía Riera","Pyridine Ring Opening at Room Temperature at a Rhenium Tricarbonyl Bipyridine Complex","Journal of the American Chemical Society","2008","130","","5662","5663","10.1021/ja801655d","","","1.54184","CuKα","","0.0585","0.0548","","","0.1418","0.1507","","","","","","1.056","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107735","13.9458","0.0002","13.27459","0.00014","14.1729","0.0002","90","","118.462","0.002","90","","2306.63","0.07","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F3 N4 O6 Re S -","- C20 H18 F3 N4 O6 Re S -","- C80 H72 F12 N16 O24 Re4 S4 -","4","1","","Miguel A. Huertos; Julio Pérez; Lucía Riera","Pyridine Ring Opening at Room Temperature at a Rhenium Tricarbonyl Bipyridine Complex","Journal of the American Chemical Society","2008","130","","5662","5663","10.1021/ja801655d","","","1.54184","CuKα","","0.0391","0.0357","","","0.0816","0.0844","","","","","","1.126","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107736","10.2268","0.0009","10.6062","0.0009","32.651","0.003","90","","96.251","0.004","90","","3520.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","HEYDUK03","","","- C36 H61 N2 O2 -","- C36 H61 N2 O2 -","- C144 H244 N8 O8 -","4","1","","Shawn M. Carter; Allyson Sia; Michael J. Shaw; Alan F. Heyduk","Isolation and Characterization of a Neutral Imino-semiquinone Radical","Journal of the American Chemical Society","2008","130","","5838","5839","10.1021/ja711185s","","","1.54178","CuKα","","0.0466","0.042","","","0.1032","0.1064","","","","","","1.044","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4107737","17.5624","0.0019","17.986","0.002","11.7992","0.0012","90","","108.469","0.002","90","","3535.1","0.7","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 N O -","- C18 H29 N O -","- C144 H232 N8 O8 -","8","2","","Shawn M. Carter; Allyson Sia; Michael J. Shaw; Alan F. Heyduk","Isolation and Characterization of a Neutral Imino-semiquinone Radical","Journal of the American Chemical Society","2008","130","","5838","5839","10.1021/ja711185s","","","0.71073","MoKα","","0.0723","0.046","","","0.1081","0.1251","","","","","","1.03","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107738","8.8928","0.0009","11.4651","0.0012","13.0649","0.0013","68.666","0.002","80.702","0.002","84.965","0.002","1223.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H31 Cl N3 O1.5 Rh2 -","- C26 H30 Cl N3 O1.5 Rh2 -","- C52 H60 Cl2 N6 O3 Rh4 -","2","1","","Cristina Tejel; Miguel A. Ciriano; M. Pilar del Río; Fieke van den Bruele; Dennis G. H. Hetterscheid; Nearchos Tsichlis i Spithas; Bas de Bruin","Deprotonation Induced Ligand-to-Metal Electron Transfer: Synthesis of a Mixed-Valence Rh(-I,I) Dinuclear Compound and Its Reaction with Dioxygen","Journal of the American Chemical Society","2008","130","","5844","5845","10.1021/ja711495v","","","0.71073","MoKα","","0.0719","0.0432","","","0.0871","0.0967","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107739","9.433","0.002","21.488","0.006","10.523","0.002","90","","92.052","0.013","90","","2131.6","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N3 Rh2 -","- C26 H27 N3 Rh2 -","- C104 H108 N12 Rh8 -","4","1","","Cristina Tejel; Miguel A. Ciriano; M. Pilar del Río; Fieke van den Bruele; Dennis G. H. Hetterscheid; Nearchos Tsichlis i Spithas; Bas de Bruin","Deprotonation Induced Ligand-to-Metal Electron Transfer: Synthesis of a Mixed-Valence Rh(-I,I) Dinuclear Compound and Its Reaction with Dioxygen","Journal of the American Chemical Society","2008","130","","5844","5845","10.1021/ja711495v","","","0.71073","MoKα","","0.0431","0.0329","","","0.073","0.0764","","","","","","1.033","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107740","7.365","0.0006","10.5869","0.0009","11.1271","0.0009","107.099","0.001","93.07","0.001","109.79","0.001","768.89","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N3 O Rh -","- C19 H18 N3 O Rh -","- C38 H36 N6 O2 Rh2 -","2","1","","Cristina Tejel; Miguel A. Ciriano; M. Pilar del Río; Fieke van den Bruele; Dennis G. H. Hetterscheid; Nearchos Tsichlis i Spithas; Bas de Bruin","Deprotonation Induced Ligand-to-Metal Electron Transfer: Synthesis of a Mixed-Valence Rh(-I,I) Dinuclear Compound and Its Reaction with Dioxygen","Journal of the American Chemical Society","2008","130","","5844","5845","10.1021/ja711495v","","","0.71073","MoKα","","0.0223","0.0211","","","0.0532","0.0538","","","","","","1.068","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107741","19.81","0.003","19.81","0.003","14.18","0.002","90","","90","","120","","4819.2","1.2","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H16 Cu N3 O -","- C8 H16 Cu N3 O -","- C144 H288 Cu18 N54 O18 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Exceptional Framework Flexibility and Sorption Behavior of a Multifunctional Porous Cuprous Triazolate Framework","Journal of the American Chemical Society","2008","130","","6010","6017","10.1021/ja800550a","","","0.71073","MoKα","","0.0407","0.0363","","","0.096","0.0993","","","","","","1.028","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107742","19.6891","0.0008","19.6891","0.0008","14.1971","0.0007","90","","90","","120","","4766.3","0.4","123","2","123","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H10 Cu N3 -","- C6 H10 Cu N3 -","- C108 H180 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Exceptional Framework Flexibility and Sorption Behavior of a Multifunctional Porous Cuprous Triazolate Framework","Journal of the American Chemical Society","2008","130","","6010","6017","10.1021/ja800550a","","","0.71073","MoKα","","0.0482","0.0402","","","0.0732","0.077","","","","","","1.014","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107743","11.949","0.002","12.263","0.004","13.213","0.004","108.677","0.002","108.348","0.001","104.458","0.003","1603.2","0.8","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H39 Cu3 N12 -","- C24 H39 Cu3 N12 -","- C48 H78 Cu6 N24 -","2","1","","Jie-Peng Zhang; Xiao-Ming Chen","Exceptional Framework Flexibility and Sorption Behavior of a Multifunctional Porous Cuprous Triazolate Framework","Journal of the American Chemical Society","2008","130","","6010","6017","10.1021/ja800550a","","","0.71073","MoKα","","0.0564","0.0436","","","0.082","0.0887","","","","","","1.01","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107744","19.429","0.0017","19.429","0.0017","14.321","0.0019","90","","90","","120","","4681.7","0.8","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C7 H14 Cu N3 O -","- C7 H14 Cu N3 O -","- C126 H252 Cu18 N54 O18 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Exceptional Framework Flexibility and Sorption Behavior of a Multifunctional Porous Cuprous Triazolate Framework","Journal of the American Chemical Society","2008","130","","6010","6017","10.1021/ja800550a","","","0.71073","MoKα","","0.0293","0.0266","","","0.0573","0.0587","","","","","","1.037","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107745","19.6052","0.0005","19.6052","0.0005","14.242","0.0004","90","","90","","120","","4740.7","0.2","93","2","93","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H10 Cu N4 -","- C6 H10 Cu N4 -","- C108 H180 Cu18 N72 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Exceptional Framework Flexibility and Sorption Behavior of a Multifunctional Porous Cuprous Triazolate Framework","Journal of the American Chemical Society","2008","130","","6010","6017","10.1021/ja800550a","","","0.71073","MoKα","","0.0367","0.0327","","","0.0734","0.0761","","","","","","1.015","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107746","8.101","0.004","23.939","0.012","7.943","0.004","90","","103.897","0.01","90","","1495.3","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Kevin J. Frankowski; Jennifer E. Golden; Yibin Zeng; Yao Lei; Jeffrey Aubé","Syntheses of the Stemona Alkaloids (\±)-Stenine, (\±)-Neostenine, and (\±)-13-Epineostenine Using a Stereodivergent Diels-Alder/Azido-Schmidt Reaction","Journal of the American Chemical Society","2008","130","","6018","6024","10.1021/ja800574m","","","0.71073","MoKα","","0.1136","0.0999","","","0.2498","0.2569","","","","","","1.068","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107747","9.266","0.0008","9.7945","0.0008","9.8086","0.0008","98.42","0.002","109.421","0.002","111.49","0.002","743.78","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H27 N O2 -","- C17 H27 N O2 -","- C34 H54 N2 O4 -","2","1","","Kevin J. Frankowski; Jennifer E. Golden; Yibin Zeng; Yao Lei; Jeffrey Aubé","Syntheses of the Stemona Alkaloids (\±)-Stenine, (\±)-Neostenine, and (\±)-13-Epineostenine Using a Stereodivergent Diels-Alder/Azido-Schmidt Reaction","Journal of the American Chemical Society","2008","130","","6018","6024","10.1021/ja800574m","","","0.71073","MoKα","","0.0507","0.0432","","","0.1116","0.1156","","","","","","0.998","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107748","12.4012","0.0003","16.6358","0.0006","10.2988","0.0003","90","","90","","90","","2124.68","0.11","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C25 H34 Zr -","- C25 H34 Zr -","- C100 H136 Zr4 -","4","0.5","","Doris Pun; Emil Lobkovsky; Paul J. Chirik","Indenyl Zirconium Dinitrogen Chemistry: N2 Coordination to an Isolated Zirconium Sandwich and Synthesis of Side-on, End-on Dinitrogen Compounds","Journal of the American Chemical Society","2008","130","","6047","6054","10.1021/ja801021w","","","0.71073","MoKα","","0.0455","0.0316","","","0.0742","0.0813","","","","","","1.035","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107749","13.5456","0.0006","17.1401","0.0008","18.5216","0.0009","90","","90","","90","","4300.2","0.3","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C46 H60 N2 Zr2 -","- C46 H60 N2 Zr2 -","- C184 H240 N8 Zr8 -","4","0.5","","Doris Pun; Emil Lobkovsky; Paul J. Chirik","Indenyl Zirconium Dinitrogen Chemistry: N2 Coordination to an Isolated Zirconium Sandwich and Synthesis of Side-on, End-on Dinitrogen Compounds","Journal of the American Chemical Society","2008","130","","6047","6054","10.1021/ja801021w","","","0.71073","MoKα","","0.0555","0.0391","","","0.0979","0.1038","","","","","","1.098","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107750","11.7576","0.0007","12.0196","0.0007","24.3109","0.0016","90","","90","","90","","3435.7","0.4","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C152 H168 N8 O24 -","8","2","","Mathieu Branca; Didier Gori; Régis Guillot; Valérie Alezra; Cyrille Kouklovsky","Tertiary Aromatic Amide for Memory of Chirality: Access to Enantioenriched α-Substituted Valine","Journal of the American Chemical Society","2008","130","","5864","5865","10.1021/ja801165z","","x-ray","0.71073","MoKα","","0.0592","0.0445","","","0.1007","0.1083","","","","","","1.07","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107751","16.156","0.003","17.388","0.003","18.641","0.003","106.359","0.003","105.492","0.002","90.897","0.003","4818.6","1.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C176 H230 Au25 N S18 -","- C176 H230 Au25 N S18 -","- C176 H230 Au25 N S18 -","1","0.5","","Manzhou Zhu; Christine M. Aikens; Frederick J. Hollander; George C. Schatz; Rongchao Jin","Correlating the Crystal Structure of A Thiol-Protected Au25 Cluster and Optical Properties","Journal of the American Chemical Society","2008","130","","5883","5885","10.1021/ja801173r","","","0.71073","MoKα","","0.053","0.0314","","","0.0569","0.0614","","","","","","0.944","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107752","9.6521","0.0007","11.1645","0.0008","27.4646","0.0018","90","","90","","90","","2959.6","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Cl N2 O6 -","- C28 H37 Cl N2 O6 -","- C112 H148 Cl4 N8 O24 -","4","1","","Anand Singh; Jeffrey N. Johnston","A Diastereo- and Enantioselective Synthesis of α-Substituted syn-α,β-Diamino Acids","Journal of the American Chemical Society","2008","130","","5866","5867","10.1021/ja8011808","","","0.71073","MoKα","","0.0625","0.04","","","0.0864","0.0965","","","","","","1.02","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4107753","12.1315","0.0015","9.6222","0.0012","27.912","0.003","90","","95.13","0.003","90","","3245.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H46 Ir N O P2 -","- C33 H46 Ir N O P2 -","- C132 H184 Ir4 N4 O4 P8 -","4","1","","Matthew T. Whited; Robert H. Grubbs","Oxygen-Atom Transfer from Carbon Dioxide to a Fischer Carbene at (PNP)Ir","Journal of the American Chemical Society","2008","130","","5874","5875","10.1021/ja801865c","","","0.71073","MoKα","","0.0488","0.0304","","","0.0487","0.0502","","","","","","1.685","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107754","15.554","0.004","11.303","0.003","18.303","0.004","90","","91.557","0.008","90","","3216.6","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H50 Ir N O P2 -","- C31 H50 Ir N O P2 -","- C124 H200 Ir4 N4 O4 P8 -","4","1","","Matthew T. Whited; Robert H. Grubbs","Oxygen-Atom Transfer from Carbon Dioxide to a Fischer Carbene at (PNP)Ir","Journal of the American Chemical Society","2008","130","","5874","5875","10.1021/ja801865c","","","0.71073","MoKα","","0.113","0.0526","","","0.0888","0.1046","","","","","","1.314","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107755","8.817","0.003","16.056","0.005","9.01","0.003","90","","108.558","0.007","90","","1209.2","0.7","173.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H34 Cu N7 O3 -","- C22 H34 Cu N7 O3 -","- C44 H68 Cu2 N14 O6 -","2","1","","Masato Kujime; Chiemi Izumi; Masaaki Tomura; Masahiko Hada; Hiroshi Fujii","Effect of a Tridentate Ligand on the Structure, Electronic Structure, and Reactivity of the Copper(I) Nitrite Complex: Role of the Conserved Three-Histidine Ligand Environment of the Type-2 Copper Site in Copper-Containing Nitrite Reductases","Journal of the American Chemical Society","2008","130","","6088","6098","10.1021/ja075575b","","","0.7107","MoKα","","","0.0736","","","","0.2063","","","","","","2.624","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107756","18.196","0.003","13.135","0.002","7.773","0.001","90","","90","","90","","1857.8","0.5","173.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H22 Cu N7 O2 -","- C26 H40 Cu N11 O2 -","- C104 H160 Cu4 N44 O8 -","4","0.5","","Masato Kujime; Chiemi Izumi; Masaaki Tomura; Masahiko Hada; Hiroshi Fujii","Effect of a Tridentate Ligand on the Structure, Electronic Structure, and Reactivity of the Copper(I) Nitrite Complex: Role of the Conserved Three-Histidine Ligand Environment of the Type-2 Copper Site in Copper-Containing Nitrite Reductases","Journal of the American Chemical Society","2008","130","","6088","6098","10.1021/ja075575b","","","0.7107","MoKα","","","0.0694","","","","0.1679","","","","","","1.729","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107757","9.409","0.003","13.841","0.004","9.811","0.003","90","","113.179","0.006","90","","1174.6","0.6","173.2","","","","","","","","","","","5","P 1 a 1","P -2ya","7","","","","- C22 H34 Cu N7 O2 -","- C22 H34 Cu N7 O2 -","- C44 H68 Cu2 N14 O4 -","2","1","","Masato Kujime; Chiemi Izumi; Masaaki Tomura; Masahiko Hada; Hiroshi Fujii","Effect of a Tridentate Ligand on the Structure, Electronic Structure, and Reactivity of the Copper(I) Nitrite Complex: Role of the Conserved Three-Histidine Ligand Environment of the Type-2 Copper Site in Copper-Containing Nitrite Reductases","Journal of the American Chemical Society","2008","130","","6088","6098","10.1021/ja075575b","","","0.7107","MoKα","","","0.08","","","","0.2117","","","","","","2.412","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107758","9.9013","0.0015","16.451","0.002","20.166","0.003","90","","109.61","0.03","90","","3094.2","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Cu N7 O2 -","- C28 H46 Cu N7 O2 -","- C112 H184 Cu4 N28 O8 -","4","1","","Masato Kujime; Chiemi Izumi; Masaaki Tomura; Masahiko Hada; Hiroshi Fujii","Effect of a Tridentate Ligand on the Structure, Electronic Structure, and Reactivity of the Copper(I) Nitrite Complex: Role of the Conserved Three-Histidine Ligand Environment of the Type-2 Copper Site in Copper-Containing Nitrite Reductases","Journal of the American Chemical Society","2008","130","","6088","6098","10.1021/ja075575b","","","0.7107","MoKα","","0.0868","0.0714","","","0.1709","0.179","","","","","","1.151","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107759","9.8244","","16.3555","","14.9146","","90","","90.97","","90","","2396.18","","293.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Cu N7 O4 -","- C22 H34 Cu N7 O4 -","- C88 H136 Cu4 N28 O16 -","4","1","","Masato Kujime; Chiemi Izumi; Masaaki Tomura; Masahiko Hada; Hiroshi Fujii","Effect of a Tridentate Ligand on the Structure, Electronic Structure, and Reactivity of the Copper(I) Nitrite Complex: Role of the Conserved Three-Histidine Ligand Environment of the Type-2 Copper Site in Copper-Containing Nitrite Reductases","Journal of the American Chemical Society","2008","130","","6088","6098","10.1021/ja075575b","","","0.7107","MoKα","","","0.076","","","","0.2046","","","","","","1.376","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107760","15.521","0.003","26.412","0.005","6.9655","0.0014","90","","90","","90","","2855.4","1","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H72 Cl4 N8 O8 -","- C40 H72 Cl4 N8 O8 -","- C80 H144 Cl8 N16 O16 -","2","0.5","","Ignacio Alfonso; Michael Bolte; Miriam Bru; M. Isabel Burguete; Santiago V. Luis; Jenifer Rubio","Supramolecular Control for the Modular Synthesis of Pseudopeptidic Macrocycles through an Anion-Templated Reaction","Journal of the American Chemical Society","2008","130","","6137","6144","10.1021/ja710132c","","","0.71073","MoKα","","0.2118","0.1004","","","0.2571","0.316","","","","","","1.024","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107761","13.9744","0.0006","23.6761","0.0009","11.94","0.0006","90","","106.885","0.004","90","","3780.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","palladium vacataporphyrin","","","- C47 H36 Cl3 N3 Pd -","- C47 H36 Cl3 N3 Pd -","- C188 H144 Cl12 N12 Pd4 -","4","1","","Ewa Pacholska-Dudziak; Janusz Skonieczny; Miłosz Pawlicki; Ludmiła Szterenberg; Zbigniew Ciunik; Lechosław Latos-Grażyński","Palladium Vacataporphyrin Reveals Conformational Rearrangements Involving Hückel and Möbius Macrocyclic Topologies","Journal of the American Chemical Society","2008","130","","6182","6195","10.1021/ja711039c","","","1.5418","CuKα","","0.0706","0.0584","","","0.1503","0.1656","","","","","","0.99","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107762","6.4945","0.0009","14.4","0.002","16.979","0.002","90","","90","","90","","1587.9","0.4","126","","126","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O3 -","- C19 H21 O3 -","- C76 H84 O12 -","4","1","","Barry M. Trost; Jia Xie","Palladium-Catalyzed Diastereo- and Enantioselective Wagner-Meerwein Shift: Control of Absolute Stereochemistry in the C-C Bond Migration Event","Journal of the American Chemical Society","2008","130","","6231","6242","10.1021/ja7111299","","","0.71073","MoKα","","0.0425","0.0327","","","0.0749","0.0785","","","","","","0.962","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107763","14.372","0.003","12.196","0.002","14.497","0.003","90","","112.923","0.002","90","","2340.4","0.8","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H37 Cl2 N5 O2 Pt S2 Zn -","- C14 H37 Cl2 N5 O2 Pt S2 Zn -","- C56 H148 Cl8 N20 O8 Pt4 S8 Zn4 -","4","1","","Elky Almaraz; Queite A. de Paula; Qin Liu; Joseph H. Reibenspies; Marcetta Y. Darensbourg; Nicholas P. Farrell","Thiolate Bridging and Metal Exchange in Adducts of a Zinc Finger Model and PtII Complexes: Biomimetic Studies of Protein/Pt/DNA Interactions","Journal of the American Chemical Society","2008","130","","6272","6280","10.1021/ja711254q","","","0.71073","MoKα","","0.0229","0.0187","","","0.0402","0.0417","","","","","","1.03","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107764","9.965","0.004","15.076","0.007","7.497","0.003","90","","90","","90","","1126.3","0.8","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H18 N2 Pt S2 -","- C9 H18 N2 Pt S2 -","- C36 H72 N8 Pt4 S8 -","4","0.5","","Elky Almaraz; Queite A. de Paula; Qin Liu; Joseph H. Reibenspies; Marcetta Y. Darensbourg; Nicholas P. Farrell","Thiolate Bridging and Metal Exchange in Adducts of a Zinc Finger Model and PtII Complexes: Biomimetic Studies of Protein/Pt/DNA Interactions","Journal of the American Chemical Society","2008","130","","6272","6280","10.1021/ja711254q","","","0.71073","MoKα","","0.0567","0.0491","","","0.1257","0.132","","","","","","1.011","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107765","8.1341","0.0009","10.4101","0.0011","13.6281","0.0014","90","","94.148","0.007","90","","1151","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 N4 S4 Zn2 -","- C18 H36 N4 S4 Zn2 -","- C36 H72 N8 S8 Zn4 -","2","0.5","","Elky Almaraz; Queite A. de Paula; Qin Liu; Joseph H. Reibenspies; Marcetta Y. Darensbourg; Nicholas P. Farrell","Thiolate Bridging and Metal Exchange in Adducts of a Zinc Finger Model and PtII Complexes: Biomimetic Studies of Protein/Pt/DNA Interactions","Journal of the American Chemical Society","2008","130","","6272","6280","10.1021/ja711254q","","","1.54178","CuKα","","0.0627","0.0367","","","0.0737","0.0819","","","","","","1.003","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107766","13.0193","0.0015","14.7971","0.0017","26.831","0.003","90","","90","","90","","5168.9","1","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H36 Cl2 N4 Pt S4 Zn2 -","- C18 H36 Cl2 N4 Pt S4 Zn2 -","- C144 H288 Cl16 N32 Pt8 S32 Zn16 -","8","1","","Elky Almaraz; Queite A. de Paula; Qin Liu; Joseph H. Reibenspies; Marcetta Y. Darensbourg; Nicholas P. Farrell","Thiolate Bridging and Metal Exchange in Adducts of a Zinc Finger Model and PtII Complexes: Biomimetic Studies of Protein/Pt/DNA Interactions","Journal of the American Chemical Society","2008","130","","6272","6280","10.1021/ja711254q","","","1.54178","CuKα","","0.0492","0.0307","","","0.0563","0.0595","","","","","","1.009","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107767","7.6139","0.0004","7.6363","0.0004","16.8065","0.0008","89.186","0.002","78.148","0.003","84.51","0.003","951.93","0.08","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","7,8,9,10-tetrafluoro-5,12-bis(triisopropylsilylethynyl) tetraceno[2,3-b]thiophene","","- C42 H48 F4 S Si2 -","- C42 H48 F4 S Si2 -","- C42 H48 F4 S Si2 -","1","0.5","","Ming L. Tang; Anna D. Reichardt; Nobuyuki Miyaki; Randall M. Stoltenberg; Zhenan Bao","Ambipolar, High Performance, Acene-Based Organic Thin Film Transistors","Journal of the American Chemical Society","2008","130","","6064","6065","10.1021/ja8005918","","","1.54178","CuKα","","0.0971","0.0866","","","0.206","0.2113","","","","","","1.154","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107768","24.789","0.003","24.031","0.003","15.525","0.002","90","","90","","90","","9248","2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","holrc02","","","- C102 H136 D12 Fe2 N10 -","- C102 H148 Fe2 N10 -","- C408 H592 Fe8 N40 -","4","0.5","","Ryan E. Cowley; Jérôme Elhaïk; Nathan A. Eckert; William W. Brennessel; Eckhard Bill; Patrick L. Holland","A Bridging Hexazene (RNNNNNNR) Ligand from Reductive Coupling of Azides","Journal of the American Chemical Society","2008","130","","6074","6075","10.1021/ja801375g","","","0.71073","MoKα","","0.1014","0.0641","","","0.1305","0.144","","","","","","1.064","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107769","14.2681","0.0016","18.409","0.002","14.5166","0.0016","90","","90.204","0.002","90","","3812.9","0.7","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","HOLRC04","","","- C80 H116 Cl4 Fe2 N10 -","- C80 H116 Cl4 Fe2 N10 -","- C160 H232 Cl8 Fe4 N20 -","2","0.5","","Ryan E. Cowley; Jérôme Elhaïk; Nathan A. Eckert; William W. Brennessel; Eckhard Bill; Patrick L. Holland","A Bridging Hexazene (RNNNNNNR) Ligand from Reductive Coupling of Azides","Journal of the American Chemical Society","2008","130","","6074","6075","10.1021/ja801375g","","","0.71073","MoKα","","0.0557","0.042","","","0.1088","0.116","","","","","","1.051","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107770","21.009","0.0017","21.009","","36.131","0.0014","90","","90","","90","","15947.4","1.4","120","0.1","120","0.1","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","Tetrais(di-tert-butylmethylsilyl)disilene cation radical tetrakis(pentfluorophenyl)borate","","- C72 H96 B F20 Si6 -","- C72 H96 B F20 Si6 -","- C576 H768 B8 F160 Si48 -","8","0.25","","Shigeyoshi Inoue; Masaaki Ichinohe; Akira Sekiguchi","The Isolable Cation Radical of Disilene: Synthesis, Characterization, and a Reversible One-Electron Redox System","Journal of the American Chemical Society","2008","130","","6078","6079","10.1021/ja801761w","","","0.7107","MoKα","","0.107","0.0591","","","0.154","0.1794","","","","","","0.981","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107771","41.254","0.004","9.4592","0.0009","18.4138","0.0016","90","","98.645","0.003","90","","7104","1.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 Cu N4 O14 Zn3 -","- C40 H26 Cu N4 O14 Zn3 -","- C160 H104 Cu4 N16 O56 Zn12 -","4","1","","Banglin Chen; Xuebo Zhao; Apipong Putkham; Kunlun Hong; Emil B. Lobkovsky; Eric J. Hurtado; Ashleigh J. Fletcher; K. Mark Thomas","Surface Interactions and Quantum Kinetic Molecular Sieving for H2 and D2 Adsorption on a Mixed Metal-Organic Framework Material","Journal of the American Chemical Society","2008","130","","6411","6423","10.1021/ja710144k","","","0.71073","MoKα","","0.0887","0.0456","","","0.1225","0.1324","","","","","","0.881","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107772","34.906","0.004","11.9591","0.0012","20.979","0.002","90","","121.945","0.001","90","","7431.3","1.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","holyy13","","","- C39 H59 Fe N4 -","- C39 H59 Fe N4 -","- C312 H472 Fe8 N32 -","8","1","","Ying Yu; Azwana R. Sadique; Jeremy M. Smith; Thomas R. Dugan; Ryan E. Cowley; William W. Brennessel; Christine J. Flaschenriem; Eckhard Bill; Thomas R. Cundari; Patrick L. Holland","The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes","Journal of the American Chemical Society","2008","130","","6624","6638","10.1021/ja710669w","","","0.71073","MoKα","","0.0455","0.0408","","","0.1091","0.1122","","","","","","1.056","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107773","13.4952","0.001","13.7544","0.001","18.0711","0.0014","90","","101.095","0.001","90","","3291.6","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","holph19","","","- C70 H106 Fe2 N6 O2 -","- C70 H106 Fe2 N6 O2 -","- C140 H212 Fe4 N12 O4 -","2","0.5","","Ying Yu; Azwana R. Sadique; Jeremy M. Smith; Thomas R. Dugan; Ryan E. Cowley; William W. Brennessel; Christine J. Flaschenriem; Eckhard Bill; Thomas R. Cundari; Patrick L. Holland","The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes","Journal of the American Chemical Society","2008","130","","6624","6638","10.1021/ja710669w","","","0.71073","MoKα","","0.0475","0.0386","","","0.098","0.103","","","","","","1.045","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107774","14.764","0.002","21.904","0.003","39.736","0.006","90","","90","","90","","12850","3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","holyy24","","","- C68 H105 Fe2 N5 -","- C68 H105 Fe2 N5 -","- C544 H840 Fe16 N40 -","8","2","","Ying Yu; Azwana R. Sadique; Jeremy M. Smith; Thomas R. Dugan; Ryan E. Cowley; William W. Brennessel; Christine J. Flaschenriem; Eckhard Bill; Thomas R. Cundari; Patrick L. Holland","The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes","Journal of the American Chemical Society","2008","130","","6624","6638","10.1021/ja710669w","","","0.71073","MoKα","","0.0941","0.0533","","","0.0927","0.1048","","","","","","1.034","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107775","35.887","0.004","12.2275","0.0013","18.927","0.002","90","","94.473","0.002","90","","8280","1.5","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","holas08","","","- C43.5 H67 Fe N3 -","- C43.5 H67 Fe N3 -","- C348 H536 Fe8 N24 -","8","2","","Ying Yu; Azwana R. Sadique; Jeremy M. Smith; Thomas R. Dugan; Ryan E. Cowley; William W. Brennessel; Christine J. Flaschenriem; Eckhard Bill; Thomas R. Cundari; Patrick L. Holland","The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes","Journal of the American Chemical Society","2008","130","","6624","6638","10.1021/ja710669w","","","0.71073","MoKα","","0.0747","0.0511","","","0.1361","0.1481","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107776","11.4337","0.0006","15.4062","0.0008","21.372","0.0011","90","","92.224","0.001","90","","3761.8","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","holjs75","","","- C43 H52 Fe N2 -","- C43 H52 Fe N2 -","- C172 H208 Fe4 N8 -","4","1","","Ying Yu; Azwana R. Sadique; Jeremy M. Smith; Thomas R. Dugan; Ryan E. Cowley; William W. Brennessel; Christine J. Flaschenriem; Eckhard Bill; Thomas R. Cundari; Patrick L. Holland","The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes","Journal of the American Chemical Society","2008","130","","6624","6638","10.1021/ja710669w","","","0.71073","MoKα","","0.0519","0.0378","","","0.1047","0.1096","","","","","","1.089","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107777","10.1455","0.0008","13.0167","0.0013","14.7129","0.0008","81.198","0.001","81.269","0.001","81.809","0.001","1883.7","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","holas11","","","- C77 H114 Fe2 N10 -","- C70 H106 Fe2 N10 -","- C70 H106 Fe2 N10 -","1","0.5","","Ying Yu; Azwana R. Sadique; Jeremy M. Smith; Thomas R. Dugan; Ryan E. Cowley; William W. Brennessel; Christine J. Flaschenriem; Eckhard Bill; Thomas R. Cundari; Patrick L. Holland","The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes","Journal of the American Chemical Society","2008","130","","6624","6638","10.1021/ja710669w","","","0.71073","MoKα","","0.0416","0.0385","","","0.1026","0.1042","","","","","","1.067","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107778","9.747","0.002","19.519","0.005","10.807","0.003","90","","96.48","0.004","90","","2042.9","0.9","100","0.1","100","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","holas06","","","- C45 H69 Fe N5 -","- C45 H69 Fe N5 -","- C90 H138 Fe2 N10 -","2","0.5","","Ying Yu; Azwana R. Sadique; Jeremy M. Smith; Thomas R. Dugan; Ryan E. Cowley; William W. Brennessel; Christine J. Flaschenriem; Eckhard Bill; Thomas R. Cundari; Patrick L. Holland","The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes","Journal of the American Chemical Society","2008","130","","6624","6638","10.1021/ja710669w","","","0.71073","MoKα","","0.0569","0.0429","","","0.1084","0.1169","","","","","","1.037","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107779","9.7911","0.0011","20.071","0.002","10.8467","0.0012","90","","100.282","0.002","90","","2097.3","0.4","223","0.2","223","0.2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","holyy25","","","- C46 H61 Fe N4 -","- C46 H61 Fe N4 -","- C92 H122 Fe2 N8 -","2","0.5","","Ying Yu; Azwana R. Sadique; Jeremy M. Smith; Thomas R. Dugan; Ryan E. Cowley; William W. Brennessel; Christine J. Flaschenriem; Eckhard Bill; Thomas R. Cundari; Patrick L. Holland","The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes","Journal of the American Chemical Society","2008","130","","6624","6638","10.1021/ja710669w","","","0.71073","MoKα","","0.0785","0.0483","","","0.1218","0.1371","","","","","","1.029","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107780","16.222","0.002","19.321","0.002","13.3145","0.0016","90","","124.815","0.002","90","","3426.1","0.7","100","0.1","100","0.1","","","","","","","","6","C 1 2/m 1","-C 2y","12","holyy23","","","- C73.8 H99.8 Cl0.2 Fe2 N4 O3.6 -","- C73.802 H99.802 Cl0.198 Fe2 N4 O3.604 -","- C147.604 H199.604 Cl0.396 Fe4 N8 O7.208 -","2","0.25","","Ying Yu; Azwana R. Sadique; Jeremy M. Smith; Thomas R. Dugan; Ryan E. Cowley; William W. Brennessel; Christine J. Flaschenriem; Eckhard Bill; Thomas R. Cundari; Patrick L. Holland","The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes","Journal of the American Chemical Society","2008","130","","6624","6638","10.1021/ja710669w","","","0.71073","MoKα","","0.0506","0.0399","","","0.1035","0.1091","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107781","16.101","0.003","16.526","0.003","25.199","0.004","90","","90","","90","","6705","2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","holas17","","","- C72 H108 Fe2 N4 O4 -","- C72 H108 Fe2 N4 O4 -","- C288 H432 Fe8 N16 O16 -","4","0.5","","Ying Yu; Azwana R. Sadique; Jeremy M. Smith; Thomas R. Dugan; Ryan E. Cowley; William W. Brennessel; Christine J. Flaschenriem; Eckhard Bill; Thomas R. Cundari; Patrick L. Holland","The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes","Journal of the American Chemical Society","2008","130","","6624","6638","10.1021/ja710669w","","","0.71073","MoKα","","0.0881","0.0496","","","0.114","0.1288","","","","","","1.035","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107782","10.878","0.002","12.781","0.003","15.368","0.003","98.705","0.003","99.605","0.003","107.216","0.003","1966.1","0.7","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","holas18","","","- C42 H68 Fe N4 -","- C42 H68 Fe N4 -","- C84 H136 Fe2 N8 -","2","1","","Ying Yu; Azwana R. Sadique; Jeremy M. Smith; Thomas R. Dugan; Ryan E. Cowley; William W. Brennessel; Christine J. Flaschenriem; Eckhard Bill; Thomas R. Cundari; Patrick L. Holland","The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes","Journal of the American Chemical Society","2008","130","","6624","6638","10.1021/ja710669w","","","0.71073","MoKα","","0.0359","0.0302","","","0.0795","0.0832","","","","","","1.029","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107783","22.792","0.002","14.7881","0.0015","16.1542","0.0016","90","","90.95","0.001","90","","5444","0.9","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","holjs65","","","- C58 H84 Fe2 N4 O2 -","- C58 H84 Fe2 N4 O2 -","- C232 H336 Fe8 N16 O8 -","4","0.5","","Ying Yu; Azwana R. Sadique; Jeremy M. Smith; Thomas R. Dugan; Ryan E. Cowley; William W. Brennessel; Christine J. Flaschenriem; Eckhard Bill; Thomas R. Cundari; Patrick L. Holland","The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes","Journal of the American Chemical Society","2008","130","","6624","6638","10.1021/ja710669w","","","0.71073","MoKα","","0.0424","0.0339","","","0.0868","0.0925","","","","","","1.023","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107784","19.435","0.003","19.435","0.003","8.189","0.002","90","","90","","120","","2678.7","0.9","203","2","203","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C135 H99 N9 O18 -","9","1","","Shui-Ming Lu; Howard Alper","Sequence of Intramolecular Carbonylation and Asymmetric Hydrogenation Reactions: Highly Regio- and Enantioselective Synthesis of Medium Ring Tricyclic Lactams","Journal of the American Chemical Society","2008","130","","6451","6455","10.1021/ja7111417","","","0.71073","MoKα","","0.0275","0.0263","","","0.0682","0.0691","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107785","18.342","0.003","4.9532","0.0007","14.966","0.002","90","","105.889","0.002","90","","1307.7","0.3","202","2","202","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H12 Cl N O2 -","- C15 H12 Cl N O2 -","- C60 H48 Cl4 N4 O8 -","4","1","","Shui-Ming Lu; Howard Alper","Sequence of Intramolecular Carbonylation and Asymmetric Hydrogenation Reactions: Highly Regio- and Enantioselective Synthesis of Medium Ring Tricyclic Lactams","Journal of the American Chemical Society","2008","130","","6451","6455","10.1021/ja7111417","","","0.71073","MoKα","","0.0576","0.0401","","","0.095","0.1037","","","","","","1.073","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107786","19.8173","0.0019","19.8173","0.0019","8.1477","0.0016","90","","90","","120","","2771.1","0.7","202","2","202","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C135 H117 N9 O18 -","9","1","","Shui-Ming Lu; Howard Alper","Sequence of Intramolecular Carbonylation and Asymmetric Hydrogenation Reactions: Highly Regio- and Enantioselective Synthesis of Medium Ring Tricyclic Lactams","Journal of the American Chemical Society","2008","130","","6451","6455","10.1021/ja7111417","","","0.71073","MoKα","","0.0952","0.0515","","","0.0894","0.1028","","","","","","1.048","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107787","3.55894","0.00009","3.55894","","5.92341","0.00027","90","","90","","120","","64.975","0.003","15","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","CaLi2(DN)2","","","- Ca D2 Li2 N2 -","- Ca D2.04 Li1.94 N2 -","- Ca D2.04 Li1.94 N2 -","1","0.0833333","","Hui Wu","Structure of Ternary Imide Li2Ca(NH)2 and Hydrogen Storage Mechanisms in Amide-Hydride System","Journal of the American Chemical Society","2008","130","","6515","6522","10.1021/ja800300e","powder diffraction","neutron","1.5403","neutron","","","","","","","","0.07992","","","","","1.45","","","","has coordinates","276354","2022-06-28","16:49:12",""
"4107788","3.56787","0.00007","3.56787","","5.94851","0.00023","90","","90","","120","","65.578","0.003","15","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","CaLi2(DN)2","","","- Ca D2 Li2 N2 -","- Ca D2.04 Li1.72 N2 -","- Ca D2.04 Li1.72 N2 -","1","0.0833333","","Hui Wu","Structure of Ternary Imide Li2Ca(NH)2 and Hydrogen Storage Mechanisms in Amide-Hydride System","Journal of the American Chemical Society","2008","130","","6515","6522","10.1021/ja800300e","powder diffraction","neutron","1.5403","neutron","","","","","","","","0.0839","","","","","1.28","","","","has coordinates","276354","2022-06-28","16:49:13",""
"4107789","12.266","0.005","14.702","0.005","21.63","0.005","102.839","0.005","95.784","0.005","100.245","0.005","3702","2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H110 Cl Cr2 N4 O6 -","- C80 H110 Cl Cr2 N4 O6 -","- C160 H220 Cl2 Cr4 N8 O12 -","2","1","","Donald J. Darensbourg; Adriana I. Moncada; Wonsook Choi; Joseph H. Reibenspies","Mechanistic Studies of the Copolymerization Reaction of Oxetane and Carbon Dioxide to Provide Aliphatic Polycarbonates Catalyzed by (Salen)CrX Complexes","Journal of the American Chemical Society","2008","130","","6523","6533","10.1021/ja800302c","","","0.71073","MoKα","","0.1239","0.0755","","","0.1995","0.2321","","","","","","1.029","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107790","16.175","0.005","16.394","0.005","17.126","0.006","89.781","0.004","88.053","0.004","79.249","0.004","4459","2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H61 Cl4 Cr N2 O3 -","- C43 H61 Cl4 Cr N2 O3 -","- C172 H244 Cl16 Cr4 N8 O12 -","4","2","","Donald J. Darensbourg; Adriana I. Moncada; Wonsook Choi; Joseph H. Reibenspies","Mechanistic Studies of the Copolymerization Reaction of Oxetane and Carbon Dioxide to Provide Aliphatic Polycarbonates Catalyzed by (Salen)CrX Complexes","Journal of the American Chemical Society","2008","130","","6523","6533","10.1021/ja800302c","","","0.71073","MoKα","","0.0908","0.0579","","","0.1433","0.1643","","","","","","1.077","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4107791","11.1738","0.0002","11.1738","0.0002","46.6887","0.0016","90","","90","","120","","5048.3","0.2","100","2","100","2","","","","","","","","4","P 65","P 65","170","","","","- C32 H48 N4 O7 -","- C32 H48 N4 O7 -","- C192 H288 N24 O42 -","6","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation","Journal of the American Chemical Society","2008","130","","6544","6550","10.1021/ja800355p","","","0.71073","MoKα","","0.0346","0.0325","","","0.0881","0.0903","","","","","","1.032","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107792","9.0136","0.0008","11.0459","0.001","11.1448","0.001","81.098","0.001","80.032","0.001","89.905","0.001","1079.34","0.17","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H56 Cl3 N5 O8 -","- C37 H56 Cl3 N5 O8 -","- C37 H56 Cl3 N5 O8 -","1","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation","Journal of the American Chemical Society","2008","130","","6544","6550","10.1021/ja800355p","","","0.71073","Mo-Kα","","0.0422","0.0405","","","0.1046","0.1068","","","","","","1.038","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107793","10.3242","0.0007","21.0858","0.0015","10.6792","0.0007","90","","107.73","","90","","2214.4","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H64 N6 O9 -","- C42 H64 N6 O9 -","- C84 H128 N12 O18 -","2","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation","Journal of the American Chemical Society","2008","130","","6544","6550","10.1021/ja800355p","","","0.71073","MoKα","","0.0502","0.0434","","","0.109","0.1127","","","","","","1.05","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107794","10.2391","0.0009","21.1012","0.0018","10.6255","0.0009","90","","108.968","0.001","90","","2171.1","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H62 N6 O9 -","- C41 H62 N6 O9 -","- C82 H124 N12 O18 -","2","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation","Journal of the American Chemical Society","2008","130","","6544","6550","10.1021/ja800355p","","","0.71073","Mo-Kα","","0.0458","0.0383","","","0.0937","0.0997","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107795","10.4365","0.0009","20.2299","0.0018","10.8443","0.0009","90","","114.053","0.001","90","","2090.7","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H62 N6 O9 -","- C41 H62 N6 O9 -","- C82 H124 N12 O18 -","2","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation","Journal of the American Chemical Society","2008","130","","6544","6550","10.1021/ja800355p","","","0.71073","Mo-Kα","","0.0363","0.035","","","0.0907","0.0922","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107796","9.6483","0.0014","10.7101","0.0015","13.9602","0.0019","100.241","0.002","107.743","0.002","94.394","0.002","1338.8","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C47 H72 Cl3 N7 O10 -","- C47 H72 Cl3 N7 O10 -","- C47 H72 Cl3 N7 O10 -","1","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation","Journal of the American Chemical Society","2008","130","","6544","6550","10.1021/ja800355p","","","0.71073","Mo-Kα","","0.0515","0.0479","","","0.128","0.1329","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107797","10.4798","0.0015","10.7124","0.0015","13.7467","0.0019","85.002","0.002","83.407","0.002","83.323","0.002","1518.4","0.4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C49 H73 Cl12 N7 O10 -","- C45 H69 N7 O10 -","- C45 H69 N7 O10 -","1","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation","Journal of the American Chemical Society","2008","130","","6544","6550","10.1021/ja800355p","","","0.71073","Mo-Kα","","0.0785","0.0728","","","0.194","0.1989","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107798","10.5904","0.0011","19.448","0.002","27.721","0.003","90","","90","","90","","5709.5","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H76 N8 O11 -","- C50 H76 N8 O11 -","- C200 H304 N32 O44 -","4","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation","Journal of the American Chemical Society","2008","130","","6544","6550","10.1021/ja800355p","","","0.71073","Mo-Kα","","0.0623","0.0547","","","0.137","0.1409","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107799","10.3529","0.0004","19.6361","0.0008","26.4378","0.0011","90","","90","","90","","5374.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H78 Cl2 N8 O11 -","- C51 H78 Cl2 N8 O11 -","- C204 H312 Cl8 N32 O44 -","4","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation","Journal of the American Chemical Society","2008","130","","6544","6550","10.1021/ja800355p","","","0.71073","Mo-Kα","","0.0508","0.046","","","0.1256","0.1312","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107800","15.4249","0.0009","15.4249","0.0009","55.881","0.006","90","","90","","90","","13295.6","1.8","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C55.5 H84.5 Cl4.5 N9 O12 -","- C55 H84 Cl3 N9 O12 -","- C440 H672 Cl24 N72 O96 -","8","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation","Journal of the American Chemical Society","2008","130","","6544","6550","10.1021/ja800355p","","","0.71073","Mo-Kα","","0.1171","0.1086","","","0.2791","0.2851","","","","","","1.112","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107801","11.003","0.002","15.078","0.003","47.015","0.01","90","","90","","90","","7800","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63.27 H95.27 Cl9.82 N10 O13 -","- C63.233 H95.233 Cl9.699 N10 O13 -","- C252.932 H380.932 Cl38.796 N40 O52 -","4","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation","Journal of the American Chemical Society","2008","130","","6544","6550","10.1021/ja800355p","","","0.71073","Mo-Kα","","0.1116","0.0914","","","0.2007","0.2093","","","","","","1.178","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107802","15.931","0.005","7.498","0.003","16.677","0.006","90","","110.193","0.013","90","","1869.6","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H7 Br Co2 O6 -","- C18 H7 Br Co2 O6 -","- C72 H28 Br4 Co8 O24 -","4","1","","Nobuharu Iwasawa; Maiko Otsuka; Satomi Yamashita; Masao Aoki; Jun Takaya","Synthesis, Structure, and Reactivity of Naphthalyne-Co2(CO)6 Complexes","Journal of the American Chemical Society","2008","130","","6328","6329","10.1021/ja801569q","","x-ray","0.71075","MoKα","","0.0366","0.0307","","","0.07","0.0733","","","","","","1.046","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107803","9.6593","0.0019","18.779","0.004","12.872","0.003","90","","101.48","0.03","90","","2288.2","0.9","110","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N2 O4 Pd2 -","- C26 H22 N2 O4 Pd2 -","- C104 H88 N8 O16 Pd8 -","4","1","","Mieock Kim; Thomas J. Taylor; François P. Gabbaï","Hg(II)...Pd(II) Metallophilic Interactions","Journal of the American Chemical Society","2008","130","","6332","6333","10.1021/ja801626c","","","0.71073","MoKα","","0.0273","0.0235","","","0.0577","0.0595","","","","","","1.008","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107804","13.7936","0.0008","9.9402","0.0006","18.7739","0.0011","90","","92.146","0.002","90","","2572.3","0.3","110","2","273","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Cl4 F10 Hg N4 O4 Pd2 -","- C56 H36 Cl4 F10 Hg N4 O4 Pd2 -","- C112 H72 Cl8 F20 Hg2 N8 O8 Pd4 -","2","0.5","","Mieock Kim; Thomas J. Taylor; François P. Gabbaï","Hg(II)...Pd(II) Metallophilic Interactions","Journal of the American Chemical Society","2008","130","","6332","6333","10.1021/ja801626c","","","0.71073","MoKα","","0.0547","0.0347","","","0.0662","0.0724","","","","","","1.003","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107805","9.3662","0.0019","12.94","0.003","24.519","0.005","90","","92.43","0.03","90","","2969","1.1","110","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H44 F10 Hg N4 O8 Pd4 -","- C64 H44 F10 Hg N4 O8 Pd4 -","- C128 H88 F20 Hg2 N8 O16 Pd8 -","2","0.5","","Mieock Kim; Thomas J. Taylor; François P. Gabbaï","Hg(II)...Pd(II) Metallophilic Interactions","Journal of the American Chemical Society","2008","130","","6332","6333","10.1021/ja801626c","","","0.71073","MoKα","","0.0578","0.0433","","","0.1137","0.1243","","","","","","1.006","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107806","8.4773","0.0013","13.378","0.002","16.47","0.003","90","","91.413","0.002","90","","1867.3","0.5","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 Br N2 O5 -","- C19 H19 Br N2 O5 -","- C76 H76 Br4 N8 O20 -","4","2","","Gregory T. Notte; James L. Leighton","A New Silicon Lewis Acid for Highly Enantioselective Mannich Reactions of Aliphatic Ketone-Derived Hydrazones","Journal of the American Chemical Society","2008","130","","6676","6677","10.1021/ja800830h","","","0.71073","MoKα","","0.0786","0.0588","","","0.1657","0.1762","","","","","","1.032","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107807","9.0685","0.0013","9.322","0.0013","12.3235","0.0018","90","","94.955","0.002","90","","1037.9","0.3","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 F3 N2 O3 -","- C22 H23 F3 N2 O3 -","- C44 H46 F6 N4 O6 -","2","1","","Gregory T. Notte; James L. Leighton","A New Silicon Lewis Acid for Highly Enantioselective Mannich Reactions of Aliphatic Ketone-Derived Hydrazones","Journal of the American Chemical Society","2008","130","","6676","6677","10.1021/ja800830h","","","0.71073","MoKα","","0.1884","0.0731","","","0.1227","0.152","","","","","","1.035","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107808","8.6428","0.0019","14.3923","0.0023","14.5761","0.0019","69.525","0.013","85.969","0.015","80.834","0.016","1676.7","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H26 Cl2 O2 P2 Pd -","- C34 H26 Cl2 O2 P2 Pd -","- C68 H52 Cl4 O4 P4 Pd2 -","2","1","","David W. Norman; Charles A. Carraz; David J. Hyett; Paul G. Pringle; Joseph B. Sweeney; A. Guy Orpen; Hirrahataya Phetmung; Richard L. Wingad","Bidentates versus Monodentates in Asymmetric Hydrogenation Catalysis: Synergic Effects on Rate and Allosteric Effects on Enantioselectivity","Journal of the American Chemical Society","2008","130","","6840","6847","10.1021/ja800858x","","","0.71073","MoKα","","0.0666","0.0439","","","0.0805","0.0883","","","","","","1.049","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107809","9.228","0.0002","18.6499","0.0003","14.0852","0.0003","90","","92.2427","0.001","90","","2422.22","0.08","160","1","160","1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C26 H26 B Cl F4 N2 O0.5 -","- C26.75 H24 B Cl F4 N2 -","- C107 H96 B4 Cl4 F16 N8 -","4","1","","Xinjun Luan; Ronaldo Mariz; Michele Gatti; Chiara Costabile; Albert Poater; Luigi Cavallo; Anthony Linden; Reto Dorta","Identification and Characterization of a New Family of Catalytically Highly Active Imidazolin-2-ylidenes","Journal of the American Chemical Society","2008","130","","6848","6858","10.1021/ja800861p","","","0.71073","MoKα","","0.121","0.0813","","","0.2131","0.244","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107810","10.2952","0.0003","29.0435","0.0009","14.3129","0.0004","90","","108.316","0.0015","90","","4062.9","0.2","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 Cl4 N2 O -","- C40 H54 Cl4 N2 O -","- C160 H216 Cl16 N8 O4 -","4","1","","Xinjun Luan; Ronaldo Mariz; Michele Gatti; Chiara Costabile; Albert Poater; Luigi Cavallo; Anthony Linden; Reto Dorta","Identification and Characterization of a New Family of Catalytically Highly Active Imidazolin-2-ylidenes","Journal of the American Chemical Society","2008","130","","6848","6858","10.1021/ja800861p","","","0.71073","MoKα","","0.1348","0.0652","","","0.1415","0.1723","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107811","15.9174","0.0005","10.7396","0.0004","25.1724","0.001","90","","98.385","0.002","90","","4257.1","0.3","160","1","160","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 N2 -","- C27 H26 N2 -","- C216 H208 N16 -","8","2","","Xinjun Luan; Ronaldo Mariz; Michele Gatti; Chiara Costabile; Albert Poater; Luigi Cavallo; Anthony Linden; Reto Dorta","Identification and Characterization of a New Family of Catalytically Highly Active Imidazolin-2-ylidenes","Journal of the American Chemical Society","2008","130","","6848","6858","10.1021/ja800861p","","","0.71073","MoKα","","0.1442","0.0748","","","0.1977","0.2333","","","","","","1.04","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107812","12.6275","0.0004","20.2412","0.0006","12.1196","0.0004","90","","107.354","0.0018","90","","2956.72","0.16","160","1","160","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H42 N2 -","- C35 H42 N2 -","- C140 H168 N8 -","4","1","","Xinjun Luan; Ronaldo Mariz; Michele Gatti; Chiara Costabile; Albert Poater; Luigi Cavallo; Anthony Linden; Reto Dorta","Identification and Characterization of a New Family of Catalytically Highly Active Imidazolin-2-ylidenes","Journal of the American Chemical Society","2008","130","","6848","6858","10.1021/ja800861p","","","0.71073","MoKα","","0.1213","0.0726","","","0.172","0.1974","","","","","","1.084","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107813","21.1294","0.0003","17.2169","0.0003","8.095","0.0001","90","","111.126","0.001","90","","2746.91","0.07","160","1","160","1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30.5 H32 Cl2 N2 Pd -","- C30.5 H32 Cl2 N2 Pd -","- C122 H128 Cl8 N8 Pd4 -","4","0.5","","Xinjun Luan; Ronaldo Mariz; Michele Gatti; Chiara Costabile; Albert Poater; Luigi Cavallo; Anthony Linden; Reto Dorta","Identification and Characterization of a New Family of Catalytically Highly Active Imidazolin-2-ylidenes","Journal of the American Chemical Society","2008","130","","6848","6858","10.1021/ja800861p","","","0.71073","MoKα","","0.0499","0.0435","","","0.109","0.1133","","","","","","1.036","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107814","8.6415","0.0002","10.7297","0.0003","14.0776","0.0005","91.8725","0.0014","95.4669","0.0019","98.7762","0.0018","1282.66","0.07","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 Cl N2 Pd -","- C30 H31 Cl N2 Pd -","- C60 H62 Cl2 N4 Pd2 -","2","1","","Xinjun Luan; Ronaldo Mariz; Michele Gatti; Chiara Costabile; Albert Poater; Luigi Cavallo; Anthony Linden; Reto Dorta","Identification and Characterization of a New Family of Catalytically Highly Active Imidazolin-2-ylidenes","Journal of the American Chemical Society","2008","130","","6848","6858","10.1021/ja800861p","","","0.71073","MoKα","","0.0649","0.0523","","","0.1283","0.1362","","","","","","1.048","","","","has coordinates,has disorder","178824","2020-10-21","18:00:00",""
"4107815","13.4818","0.0002","14.362","0.0002","22.1744","0.0004","107.523","0.001","96.5314","0.0008","104.221","0.0008","3886.12","0.11","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C39.5 H50.5 Cl N2 Pd -","- C38 H47 Cl N2 Pd -","- C152 H188 Cl4 N8 Pd4 -","4","2","","Xinjun Luan; Ronaldo Mariz; Michele Gatti; Chiara Costabile; Albert Poater; Luigi Cavallo; Anthony Linden; Reto Dorta","Identification and Characterization of a New Family of Catalytically Highly Active Imidazolin-2-ylidenes","Journal of the American Chemical Society","2008","130","","6848","6858","10.1021/ja800861p","","","0.71073","MoKα","","0.0829","0.0605","","","0.1515","0.1618","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107816","11.9641","0.0001","22.8052","0.0002","13.0081","0.0001","90","","106.834","0.0004","90","","3397.08","0.05","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 Cl N2 Pd -","- C38 H47 Cl N2 Pd -","- C152 H188 Cl4 N8 Pd4 -","4","1","","Xinjun Luan; Ronaldo Mariz; Michele Gatti; Chiara Costabile; Albert Poater; Luigi Cavallo; Anthony Linden; Reto Dorta","Identification and Characterization of a New Family of Catalytically Highly Active Imidazolin-2-ylidenes","Journal of the American Chemical Society","2008","130","","6848","6858","10.1021/ja800861p","","","0.71073","MoKα","","0.0526","0.0434","","","0.1089","0.1147","","","","","","1.059","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107817","7.9161","0.0002","8.0645","0.0002","13.5869","0.0004","85.0784","0.0016","86.6572","0.0015","71.868","0.0016","820.81","0.04","160","1","160","1","","","","","","","","3","P -1","-P 1","2","","","","- C46 H36 N4 -","- C46 H36 N4 -","- C46 H36 N4 -","1","0.5","","Xinjun Luan; Ronaldo Mariz; Michele Gatti; Chiara Costabile; Albert Poater; Luigi Cavallo; Anthony Linden; Reto Dorta","Identification and Characterization of a New Family of Catalytically Highly Active Imidazolin-2-ylidenes","Journal of the American Chemical Society","2008","130","","6848","6858","10.1021/ja800861p","","","0.71073","MoKα","","0.0705","0.0562","","","0.1502","0.1638","","","","","","1.026","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107818","10.2166","0.0005","10.2662","0.0005","18.1889","0.0009","82.596","0.001","81.632","0.001","75.876","0.001","1821.7","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H47 Cl3 N O2 P Pd -","- C34.5 H46 Cl2 N O2 P Pd -","- C69 H92 Cl4 N2 O4 P2 Pd2 -","2","1","","Mark R. Biscoe; Brett P. Fors; Stephen L. Buchwald","A New Class of Easily Activated Palladium Precatalysts for Facile C-N Cross-Coupling Reactions and the Low Temperature Oxidative Addition of Aryl Chlorides","Journal of the American Chemical Society","2008","130","","6686","6687","10.1021/ja801137k","","","0.71073","MoKα","","0.0363","0.0355","","","0.1237","0.1247","","","","","","1.107","","","","has coordinates,has disorder","178824","2020-10-21","18:00:00",""
"4107819","52.1923","0.0014","17.6634","0.0004","36.4505","0.0008","90","","93.573","0.001","90","","33538.2","1.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H124 K18 O185 Si3 W30 Zr6 -","- K12 O153.25 Si3 W30 Zr6 -","- K96 O1226 Si24 W240 Zr48 -","8","1","","Bassem S. Bassil; Sib Sankar Mal; Michael H. Dickman; Ulrich Kortz; Holger Oelrich; Lorenz Walder","6-Peroxo-6-Zirconium Crown and Its Hafnium Analogue Embedded in a Triangular Polyanion: [M6(O2)6(OH)6(γ-SiW10O36)3]18- (M = Zr, Hf)","Journal of the American Chemical Society","2008","130","","6696","6697","10.1021/ja801424q","","","0.71073","MoKα","","0.1245","0.0749","","","0.1902","0.2253","","","","","","1.008","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107820","52.2945","0.0017","17.6832","0.0004","36.3549","0.0009","90","","93.667","0.002","90","","33549.8","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H124 Hf6 K18 O185 Si3 W30 -","- Hf6 K11.15 O162.55 Si3 W30 -","- Hf48 K89.2 O1300.4 Si24 W240 -","8","1","","Bassem S. Bassil; Sib Sankar Mal; Michael H. Dickman; Ulrich Kortz; Holger Oelrich; Lorenz Walder","6-Peroxo-6-Zirconium Crown and Its Hafnium Analogue Embedded in a Triangular Polyanion: [M6(O2)6(OH)6(γ-SiW10O36)3]18- (M = Zr, Hf)","Journal of the American Chemical Society","2008","130","","6696","6697","10.1021/ja801424q","","","0.71073","MoKα","","0.1133","0.0663","","","0.1618","0.1998","","","","","","0.994","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107821","13.318","0.002","13.43","0.003","17.498","0.003","70.438","0.018","74.727","0.015","60.84","0.02","2556.1","1","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H48 B Cu F20 N11 O2 -","- C45 H48 B Cu F20 N11 O2 -","- C90 H96 B2 Cu2 F40 N22 O4 -","2","1","","Debabrata Maiti; Dong-Heon Lee; Amy A. Narducci Sarjeant; Monita Y. M. Pau; Edward I. Solomon; Katya Gaoutchenova; Jörg Sundermeyer; Kenneth D. Karlin","Reaction of a Copper-Dioxygen Complex with Nitrogen Monoxide (.NO) Leads to a Copper(II)-Peroxynitrite Species","Journal of the American Chemical Society","2008","130","","6700","6701","10.1021/ja801540e","","","0.71073","MoKα","","0.0537","0.0329","","","0.0824","0.0859","","","","","","1.028","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107822","13.433","0.003","13.442","0.004","17.5504","0.0016","70.037","0.017","74.295","0.014","60.28","0.03","2566.7","1.2","","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H48 B Cu F20 N11 O3 -","- C45 H48 B Cu F20 N11 O3 -","- C90 H96 B2 Cu2 F40 N22 O6 -","2","1","","Debabrata Maiti; Dong-Heon Lee; Amy A. Narducci Sarjeant; Monita Y. M. Pau; Edward I. Solomon; Katya Gaoutchenova; Jörg Sundermeyer; Kenneth D. Karlin","Reaction of a Copper-Dioxygen Complex with Nitrogen Monoxide (.NO) Leads to a Copper(II)-Peroxynitrite Species","Journal of the American Chemical Society","2008","130","","6700","6701","10.1021/ja801540e","","","0.71073","MoKα","","0.1204","0.066","","","0.0965","0.1174","","","","","","1.086","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107823","13.78","0.004","15.634","0.004","24.966","0.005","96.675","0.006","96.97","0.006","105.531","0.006","5081","2","293.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H32 Fe N4 O3 Pd5 S50 -","- C73 H32 Fe N4 O3 Pd5 S50 -","- C146 H64 Fe2 N8 O6 Pd10 S100 -","2","1","","Kazuyuki Takahashi; Heng-Bo Cui; Yoshinori Okano; Hayao Kobayashi; Hatsumi Mori; Hiroyuki Tajima; Yasuaki Einaga; Osamu Sato","Evidence of the Chemical Uniaxial Strain Effect on Electrical Conductivity in the Spin-Crossover Conducting Molecular System: [FeIII(qnal)2][Pd(dmit)2]5.Acetone","Journal of the American Chemical Society","2008","130","","6688","6689","10.1021/ja801585r","","","0.7107","MoKα","","","0.0515","","","","0.0888","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107824","13.573","0.007","15.573","0.008","24.912","0.011","96.599","0.01","97.03","0.01","106.056","0.011","4961","4","105.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H32 Fe N4 O3 Pd5 S50 -","- C73 H32 Fe N4 O3 Pd5 S50 -","- C146 H64 Fe2 N8 O6 Pd10 S100 -","2","1","","Kazuyuki Takahashi; Heng-Bo Cui; Yoshinori Okano; Hayao Kobayashi; Hatsumi Mori; Hiroyuki Tajima; Yasuaki Einaga; Osamu Sato","Evidence of the Chemical Uniaxial Strain Effect on Electrical Conductivity in the Spin-Crossover Conducting Molecular System: [FeIII(qnal)2][Pd(dmit)2]5.Acetone","Journal of the American Chemical Society","2008","130","","6688","6689","10.1021/ja801585r","","","0.7107","MoKα","","","0.098","","","","0.2961","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107825","19.963","0.003","13.639","0.002","19.76","0.003","90","","110.694","0.003","90","","5033","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94.5 H22 N2 O2 S -","- C94.5 H22 N2 O2 S -","- C378 H88 N8 O8 S4 -","4","1","","Yasujiro Murata; Shuhei Maeda; Michihisa Murata; Koichi Komatsu","Encapsulation and Dynamic Behavior of Two H2 Molecules in an Open-Cage C70","Journal of the American Chemical Society","2008","130","","6702","6703","10.1021/ja801753m","","","0.71073","MoKα","","0.1169","0.0595","","","0.1158","0.1278","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107826","4.015","0.0008","11.236","0.002","9.332","0.0019","90","","95.66","0.03","90","","418.94","0.14","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C6 H4 Br2 O2 Se -","- C6 H4 Br2 O2 Se -","- C12 H8 Br4 O4 Se2 -","2","1","","Asit Patra; Yair H. Wijsboom; Sanjio S. Zade; Mao Li; Yana Sheynin; Gregory Leitus; Michael Bendikov","Poly(3,4-ethylenedioxyselenophene)","Journal of the American Chemical Society","2008","130","","6734","6736","10.1021/ja8018675","","","0.71073","MoKα","","0.031","0.0291","","","0.0711","0.0719","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107827","8.476","0.002","9.296","0.002","15.43","0.004","103.566","0.005","94.996","0.005","105.678","0.005","1123.1","0.5","200","2","200","2","","","","","","","","3","P -1","-P 1","2","10_in_paper","","","- C30 H18 O6 -","- C30 H18 O6 -","- C60 H36 O12 -","2","1","","Birgit Esser; Frank Rominger; Rolf Gleiter","Synthesis of [6.8]3Cyclacene: Conjugated Belt and Model for an Unusual Type of Carbon Nanotube","Journal of the American Chemical Society","2008","130","","6716","6717","10.1021/ja801918n","","","0.71073","MoKα","","0.1249","0.0937","","","0.1804","0.1934","","","","","","1.225","","","","has coordinates,has disorder","178824","2020-10-21","18:00:00",""
"4107828","15.3781","0.0006","6.8444","0.0003","18.2608","0.0007","90","","90.665","0.001","90","","1921.89","0.13","200","2","200","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","4_in_paper","[6.8]~3~cyclacene","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","1","","Birgit Esser; Frank Rominger; Rolf Gleiter","Synthesis of [6.8]3Cyclacene: Conjugated Belt and Model for an Unusual Type of Carbon Nanotube","Journal of the American Chemical Society","2008","130","","6716","6717","10.1021/ja801918n","","","0.71073","MoKα","","0.0824","0.0504","","","0.1013","0.1163","","","","","","1.113","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107829","13.5928","0.0004","12.7499","0.0004","14.2697","0.0004","90","","112.297","0.001","90","","2288.13","0.12","200","2","200","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","8a_in_paper","","","- C30 H30 -","- C30 H30 -","- C120 H120 -","4","1","","Birgit Esser; Frank Rominger; Rolf Gleiter","Synthesis of [6.8]3Cyclacene: Conjugated Belt and Model for an Unusual Type of Carbon Nanotube","Journal of the American Chemical Society","2008","130","","6716","6717","10.1021/ja801918n","","","0.71073","MoKα","","0.0596","0.0391","","","0.0938","0.1059","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107830","7.772","0.0005","12.2598","0.0007","13.3098","0.0008","64.209","0.001","78.12","0.001","76.922","0.001","1103.88","0.12","200","2","200","2","","","","","","","","2","P -1","-P 1","2","8b_in_paper","","","- C30 H30 -","- C30 H30 -","- C60 H60 -","2","1","","Birgit Esser; Frank Rominger; Rolf Gleiter","Synthesis of [6.8]3Cyclacene: Conjugated Belt and Model for an Unusual Type of Carbon Nanotube","Journal of the American Chemical Society","2008","130","","6716","6717","10.1021/ja801918n","","","0.71073","MoKα","","0.0834","0.0448","","","0.0989","0.1131","","","","","","1.025","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107831","10.16","0.003","11.469","0.003","13.227","0.004","75.653","0.006","84.405","0.006","76.52","0.005","1450.8","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","9_in_paper","","","- C30 H24 Br6 -","- C30 H24 Br6 -","- C60 H48 Br12 -","2","1","","Birgit Esser; Frank Rominger; Rolf Gleiter","Synthesis of [6.8]3Cyclacene: Conjugated Belt and Model for an Unusual Type of Carbon Nanotube","Journal of the American Chemical Society","2008","130","","6716","6717","10.1021/ja801918n","","","0.71073","MoKα","","0.0941","0.068","","","0.1721","0.186","","","","","","0.995","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107832","10.2829","0.0003","10.2829","0.0003","14.3687","0.0007","90","","90","","90","","1519.32","0.1","273","2","273","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- C11 H10 O7 Tb -","- C11 H10 O7 Tb -","- C44 H40 O28 Tb4 -","4","0.5","","Banglin Chen; Liangbo Wang; Fatima Zapata; Guodong Qian; Emil B. Lobkovsky","A Luminescent Microporous Metal-Organic Framework for the Recognition and Sensing of Anions","Journal of the American Chemical Society","2008","130","","6718","6719","10.1021/ja802035e","","","0.71073","MoKα","","0.0341","0.0286","","","0.0623","0.0638","","","","","","1.066","","","","has coordinates,has disorder","178824","2020-10-21","18:00:00",""
"4107833","10.972","0.002","12.222","0.002","19.955","0.004","90","","98.005","0.001","90","","2649.9","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","allene","","","- C31 H24 O4 S2 -","- C31 H24 O4 S2 -","- C124 H96 O16 S8 -","4","1","","Torahiko Yamaguchi; Yohsuke Yamamoto; Daisuke Kinoshita; Kin-ya Akiba; Yun Zhang; Christopher A. Reed; Daisuke Hashizume; Fujiko Iwasaki","Synthesis and Structure of a Hexacoordinate Carbon Compound","Journal of the American Chemical Society","2008","130","","6894","6895","10.1021/ja710423d","","","0.71069","MoKα","","0.0848","0.0728","","","0.2448","0.2643","","","","","","1.209","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107834","14.1088","0.0006","17.7301","0.0007","27.1659","0.0011","90","","102.242","0.001","90","","6641","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H45.88 B22 Br12.12 Cl4 O4 S2 -","- C37 H45.8806 B22 Br12.1194 Cl4 O4 S2 -","- C148 H183.522 B88 Br48.4776 Cl16 O16 S8 -","4","1","","Torahiko Yamaguchi; Yohsuke Yamamoto; Daisuke Kinoshita; Kin-ya Akiba; Yun Zhang; Christopher A. Reed; Daisuke Hashizume; Fujiko Iwasaki","Synthesis and Structure of a Hexacoordinate Carbon Compound","Journal of the American Chemical Society","2008","130","","6894","6895","10.1021/ja710423d","","","0.71073","MoKα","","0.0843","0.0412","","","0.0791","0.0913","","","","","","1.017","","","","has coordinates,has disorder","178824","2020-10-21","18:00:00",""
"4107835","13.755","0.001","17.603","0.001","26.404","0.001","90","","103.17","0.001","90","","6225","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H45.9425 B22 Cl16.0575 O4 S2 -","- C37 H45.9432 B22 Cl16.0568 O4 S2 -","- C148 H183.773 B88 Cl64.2272 O16 S8 -","4","1","","Torahiko Yamaguchi; Yohsuke Yamamoto; Daisuke Kinoshita; Kin-ya Akiba; Yun Zhang; Christopher A. Reed; Daisuke Hashizume; Fujiko Iwasaki","Synthesis and Structure of a Hexacoordinate Carbon Compound","Journal of the American Chemical Society","2008","130","","6894","6895","10.1021/ja710423d","","","0.3282","Synchrotron","","0.1168","0.0259","","","0.0498","0.0537","","","","","","1.8974","","","","has coordinates,has disorder","178824","2020-10-21","18:00:00",""
"4107836","5.9784","0.0009","22.907","0.003","14.639","0.002","90","","97.816","0.002","90","","1986.1","0.5","","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","parc0105a","","","- C24 H19 N O9 -","- C24 H19 N O9 -","- C96 H76 N4 O36 -","4","2","","Craig A. Parish; Scott K. Smith; Kathleen Calati; Deborah Zink; Kenneth Wilson; Terry Roemer; Bo Jiang; Deming Xu; Gerald Bills; Gonzalo Platas; Fernando Peláez; Maria Teresa Díez; Nancy Tsou; Arlene E. McKeown; Richard G. Ball; Mary Ann Powles; Lai Yeung; Paul Liberator; Guy Harris","Isolation and Structure Elucidation of Parnafungins, Antifungal Natural Products that Inhibit mRNA Polyadenylation","Journal of the American Chemical Society","2008","130","","7060","7066","10.1021/ja711209p","","","","MoKα","","","0.0477","","","","0.1192","","","","","","1.015","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107837","7.6433","0.0007","11.0235","0.001","29.784","0.003","90","","90","","90","","2509.5","0.4","","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","parc0107b","","","- C30 H22 Cl N O9 -","- C30 H22 Cl N O9 -","- C120 H88 Cl4 N4 O36 -","4","1","","Craig A. Parish; Scott K. Smith; Kathleen Calati; Deborah Zink; Kenneth Wilson; Terry Roemer; Bo Jiang; Deming Xu; Gerald Bills; Gonzalo Platas; Fernando Peláez; Maria Teresa Díez; Nancy Tsou; Arlene E. McKeown; Richard G. Ball; Mary Ann Powles; Lai Yeung; Paul Liberator; Guy Harris","Isolation and Structure Elucidation of Parnafungins, Antifungal Natural Products that Inhibit mRNA Polyadenylation","Journal of the American Chemical Society","2008","130","","7060","7066","10.1021/ja711209p","","","","MoKα","","","0.0424","","","","0.0942","","","","","","1.029","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107838","12.5389","0.0008","7.6203","0.0005","14.5275","0.0009","90","","109.201","0.001","90","","1310.89","0.15","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-2-[1-(2,5-dimethyl-3-furyl)ethylidene]-3-isopropylidenesuccinic anhydride","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Jun Harada; Ryo Nakajima; Keiichiro Ogawa","X-ray Diffraction Analysis of Photochromic Reaction of Fulgides: Crystalline State Reaction Induced by Two-Photon Excitation","Journal of the American Chemical Society","2008","130","","7085","7091","10.1021/ja800353u","","","0.71073","MoKα","","0.0409","0.0387","","","0.1073","0.1101","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107839","12.5365","0.0009","7.6211","0.0006","14.5294","0.0011","90","","109.18","0.001","90","","1311.11","0.17","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-2-[1-(2,5-dimethyl-3-furyl)ethylidene]-3-isopropylidenesuccinic anhydride","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Jun Harada; Ryo Nakajima; Keiichiro Ogawa","X-ray Diffraction Analysis of Photochromic Reaction of Fulgides: Crystalline State Reaction Induced by Two-Photon Excitation","Journal of the American Chemical Society","2008","130","","7085","7091","10.1021/ja800353u","","","0.71073","MoKα","","0.0396","0.0374","","","0.104","0.1067","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107840","12.5388","0.0009","7.6194","0.0006","14.5373","0.0011","90","","109.245","0.001","90","","1311.25","0.17","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-2-[1-(2,5-dimethyl-3-furyl)ethylidene]-3-isopropylidenesuccinic anhydride","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Jun Harada; Ryo Nakajima; Keiichiro Ogawa","X-ray Diffraction Analysis of Photochromic Reaction of Fulgides: Crystalline State Reaction Induced by Two-Photon Excitation","Journal of the American Chemical Society","2008","130","","7085","7091","10.1021/ja800353u","","","0.71073","MoKα","","0.0458","0.0412","","","0.1131","0.1176","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107841","12.5342","0.0012","7.6101","0.0008","14.5653","0.0014","90","","108.621","0.002","90","","1316.6","0.2","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-2-[1-(2,5-dimethyl-3-furyl)ethylidene]-3-isopropylidenesuccinic anhydride","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Jun Harada; Ryo Nakajima; Keiichiro Ogawa","X-ray Diffraction Analysis of Photochromic Reaction of Fulgides: Crystalline State Reaction Induced by Two-Photon Excitation","Journal of the American Chemical Society","2008","130","","7085","7091","10.1021/ja800353u","","","0.71073","MoKα","","0.0774","0.0624","","","0.1618","0.1721","","","","","","1.099","","","","has coordinates,has disorder","178824","2020-10-21","18:00:00",""
"4107842","12.5318","0.0014","7.6226","0.0008","14.5394","0.0016","90","","109.285","0.002","90","","1310.9","0.2","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-2-[1-(2,5-dimethyl-3-furyl)ethylidene]-3-isopropylidenesuccinic anhydride","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Jun Harada; Ryo Nakajima; Keiichiro Ogawa","X-ray Diffraction Analysis of Photochromic Reaction of Fulgides: Crystalline State Reaction Induced by Two-Photon Excitation","Journal of the American Chemical Society","2008","130","","7085","7091","10.1021/ja800353u","","","0.71073","MoKα","","0.0573","0.0466","","","0.118","0.1248","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107843","8.1636","0.0005","18.8195","0.0012","10.5104","0.0007","90","","110.805","0.001","90","","1509.47","0.17","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-2-[1-(2,5-dimethyl-3-furyl)-2-methylpropylidene]-3-isopropylidenesuccinic anhydride","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Jun Harada; Ryo Nakajima; Keiichiro Ogawa","X-ray Diffraction Analysis of Photochromic Reaction of Fulgides: Crystalline State Reaction Induced by Two-Photon Excitation","Journal of the American Chemical Society","2008","130","","7085","7091","10.1021/ja800353u","","","0.71073","MoKα","","0.042","0.0377","","","0.1014","0.1052","","","","","","1.058","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107844","8.1659","0.0007","18.8346","0.0017","10.5061","0.0009","90","","110.755","0.002","90","","1511","0.2","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-2-[1-(2,5-dimethyl-3-furyl)-2-methylpropylidene]-3-isopropylidenesuccinic anhydride","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Jun Harada; Ryo Nakajima; Keiichiro Ogawa","X-ray Diffraction Analysis of Photochromic Reaction of Fulgides: Crystalline State Reaction Induced by Two-Photon Excitation","Journal of the American Chemical Society","2008","130","","7085","7091","10.1021/ja800353u","","","0.71073","MoKα","","0.047","0.0415","","","0.1104","0.1157","","","","","","1.061","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107845","8.2761","0.001","18.741","0.002","10.5382","0.0013","90","","111.036","0.002","90","","1525.6","0.3","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-2-[1-(2,5-dimethyl-3-furyl)-2-methylpropylidene]-3-isopropylidenesuccinic anhydride","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Jun Harada; Ryo Nakajima; Keiichiro Ogawa","X-ray Diffraction Analysis of Photochromic Reaction of Fulgides: Crystalline State Reaction Induced by Two-Photon Excitation","Journal of the American Chemical Society","2008","130","","7085","7091","10.1021/ja800353u","","","0.71073","MoKα","","0.1114","0.0769","","","0.1742","0.19","","","","","","1.103","","","","has coordinates,has disorder","178824","2020-10-21","18:00:00",""
"4107846","8.1632","0.0005","18.8242","0.0012","10.5207","0.0007","90","","110.749","0.001","90","","1511.82","0.17","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-2-[1-(2,5-dimethyl-3-furyl)-2-methylpropylidene]-3-isopropylidenesuccinic anhydride","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Jun Harada; Ryo Nakajima; Keiichiro Ogawa","X-ray Diffraction Analysis of Photochromic Reaction of Fulgides: Crystalline State Reaction Induced by Two-Photon Excitation","Journal of the American Chemical Society","2008","130","","7085","7091","10.1021/ja800353u","","","0.71073","MoKα","","0.0732","0.0483","","","0.1116","0.1237","","","","","","1.042","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107847","10.1818","0.0005","22.164","0.001","17.8504","0.0009","90","","91.591","0.001","90","","4026.7","0.3","169.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42.5 H65 Ce F4 -","- C42.5 H58 Ce F4 -","- C170 H232 Ce4 F16 -","4","1","","Evan L. Werkema; Richard A. Andersen","Fluorine for Hydrogen Exchange in the Hydrofluorobenzene Derivatives C6HxF(6-x), where x= 2, 3, 4 and 5 by Monomeric [1,2,4-(Me3C)3C5H2]2CeH: The Solid State Isomerization of [1,2,4-(Me3C)3C5H2]2Ce(2,3,4,5-C6HF4) to [1,2,4-(Me3C)3C5H2]2Ce(2,3,4,6-C6HF4)","Journal of the American Chemical Society","2008","130","","7153","7165","10.1021/ja800639f","","","0.7107","MoKα","","0.0453","0.0382","","0.0557","","0.0546","","","","","","2.672","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107848","10.221","0.0006","22.063","0.001","18.024","0.001","90","","92.369","0.001","90","","4061","0.4","158.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42.5 H65 Ce F4 -","- C42.5 H58 Ce F4 -","- C170 H232 Ce4 F16 -","4","1","","Evan L. Werkema; Richard A. Andersen","Fluorine for Hydrogen Exchange in the Hydrofluorobenzene Derivatives C6HxF(6-x), where x= 2, 3, 4 and 5 by Monomeric [1,2,4-(Me3C)3C5H2]2CeH: The Solid State Isomerization of [1,2,4-(Me3C)3C5H2]2Ce(2,3,4,5-C6HF4) to [1,2,4-(Me3C)3C5H2]2Ce(2,3,4,6-C6HF4)","Journal of the American Chemical Society","2008","130","","7153","7165","10.1021/ja800639f","","","0.7107","MoKα","","0.0404","0.0305","","0.0415","","0.0401","","","","","","1.935","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107849","7.8191","0.0005","26.6567","0.0013","6.3613","0.0007","90","","98.659","0.001","90","","1310.78","0.18","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Liang-Qiu Lu; Yi-Ju Cao; Xiao-Peng Liu; Jing An; Chang-Jiang Yao; Zhi-Hui Ming; Wen-Jing Xiao","A New Entry to Cascade Organocatalysis: Reactions of Stable Sulfur Ylides and Nitroolefins Sequentially Catalyzed by Thiourea and DMAP","Journal of the American Chemical Society","2008","130","","6946","6948","10.1021/ja800746q","","","0.71073","MoKα","","0.0961","0.0558","","","0.1347","0.1511","","","","","","1.033","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107850","15.674","0.001","17.967","0.001","6.3228","0.0004","90","","90","","90","","1780.59","0.19","178.2","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C14 H30 B N O3 S -","- C14 H30 B N O3 S -","- C56 H120 B4 N4 O12 S4 -","4","1","","Melissa A. Beenen; Chihui An; Jonathan A. Ellman","Asymmetric Copper-Catalyzed Synthesis of α-Amino Boronate Esters from N-tert-Butanesulfinyl Aldimines","Journal of the American Chemical Society","2008","130","","6910","6911","10.1021/ja800829y","","","0.7107","MoKα","","0.0525","0.0427","","0.0524","","0.0508","","","","","","2.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107851","15.5197","0.0013","22.38","0.002","17.6378","0.0015","90","","92.417","0.002","90","","6120.7","0.9","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H65 Cl2 Cu3 I3 N O10 S4 -","- C51 H65 Cl2 Cu3 I3 N O10 S4 -","- C204 H260 Cl8 Cu12 I12 N4 O40 S16 -","4","1","","Jai Young Lee; So Young Lee; Wonbo Sim; Ki-Min Park; Jineun Kim; Shim Sung Lee","Temperature-Dependent 3-D CuI Coordination Polymers of Calix[4]-bis-dithiacrown: Crystal-to-Crystal Transformation and Photoluminescence Change on Coordinated Solvent Removal","Journal of the American Chemical Society","2008","130","","6902","6903","10.1021/ja8008693","","","0.71073","MoKα","","0.1594","0.0752","","","0.1791","0.2427","","","","","","0.999","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107852","16.151","0.003","18.445","0.003","18.064","0.003","90","","91.451","0.003","90","","5379.6","1.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 Cu3 I3 O8.5 S4 -","- C48 H60 Cu3 I3 O8.5 S4 -","- C192 H240 Cu12 I12 O34 S16 -","4","1","","Jai Young Lee; So Young Lee; Wonbo Sim; Ki-Min Park; Jineun Kim; Shim Sung Lee","Temperature-Dependent 3-D CuI Coordination Polymers of Calix[4]-bis-dithiacrown: Crystal-to-Crystal Transformation and Photoluminescence Change on Coordinated Solvent Removal","Journal of the American Chemical Society","2008","130","","6902","6903","10.1021/ja8008693","","","0.71073","MoKα","","0.3169","0.1026","","","0.2233","0.3215","","","","","","0.994","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107853","38.237","0.002","12.0862","0.0007","24.3282","0.0013","90","","91.844","0.001","90","","11237.2","1.1","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C99 H125 Cl2 Cu6 I6 N O16 S8 -","- C99 H125 Cl2 Cu6 I6 N O16 S8 -","- C396 H500 Cl8 Cu24 I24 N4 O64 S32 -","4","0.5","","Jai Young Lee; So Young Lee; Wonbo Sim; Ki-Min Park; Jineun Kim; Shim Sung Lee","Temperature-Dependent 3-D CuI Coordination Polymers of Calix[4]-bis-dithiacrown: Crystal-to-Crystal Transformation and Photoluminescence Change on Coordinated Solvent Removal","Journal of the American Chemical Society","2008","130","","6902","6903","10.1021/ja8008693","","","0.71073","MoKα","","0.0711","0.0482","","","0.1118","0.128","","","","","","1.105","","","","has coordinates,has disorder","178824","2020-10-21","18:00:00",""
"4107854","12.217","0.001","13.545","0.001","15.293","0.0012","90","","109.223","0.001","90","","2389.6","0.3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H29 B N7 O4 P W -","- C19 H29 B N7 O4 P W -","- C76 H116 B4 N28 O16 P4 W4 -","4","1","","Michael A. Todd; Michal Sabat; William H. Myers; Timothy M. Smith; W. Dean Harman","Stereoselective Umpolung Tandem Addition of Heteroatoms to Phenol","Journal of the American Chemical Society","2008","130","","6906","6907","10.1021/ja801076z","","","0.71073","MoKα","","0.0593","0.0459","","","0.123","0.1287","","","","","","1.03","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107855","19.315","0.005","10.897","0.003","18.924","0.005","90","","115.879","0.005","90","","3583.6","1.7","273","2","273","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 B Cl6 N8 O4 P W -","- C24 H36 B Cl6 N8 O4 P W -","- C96 H144 B4 Cl24 N32 O16 P4 W4 -","4","1","","Michael A. Todd; Michal Sabat; William H. Myers; Timothy M. Smith; W. Dean Harman","Stereoselective Umpolung Tandem Addition of Heteroatoms to Phenol","Journal of the American Chemical Society","2008","130","","6906","6907","10.1021/ja801076z","","","0.71073","MoKα","","0.0537","0.0426","","","0.1008","0.1047","","","","","","0.97","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107856","13.7982","0.0003","9.9351","0.0002","10.1855","0.0002","90","","92.855","0.001","90","","1394.56","0.05","99","2","99","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C64 H72 O12 -","4","1","","Guotao Li; Xiaogen Huang; Liming Zhang","Au(I)-Catalyzed Efficient Synthesis of Functionalized Bicyclo[3.2.0]heptanes","Journal of the American Chemical Society","2008","130","","6944","6945","10.1021/ja802294t","","","0.71073","MoKα","","0.0803","0.0676","","","0.1789","0.1873","","","","","","0.967","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107857","5.6851","0.0004","18.5378","0.0017","16.875","0.0012","90","","96.864","0.007","90","","1765.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C80 H84 N4 O12 S4 -","4","1","","Maciej A. A. Walczak; Peter Wipf","Rhodium(I)-Catalyzed Cycloisomerizations of Bicyclobutanes","Journal of the American Chemical Society","2008","130","","6924","6925","10.1021/ja802906k","","","0.71073","MoKα","","0.0598","0.0449","","","0.1298","0.1482","","","","","","0.593","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107858","7.3968","0.0007","13.8925","0.0017","18.4277","0.0018","112.065","0.007","95.624","0.007","90.53","0.008","1744.3","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H50 N2 Si2 -","- C38 H50 N2 Si2 -","- C76 H100 N4 Si4 -","2","1","","Shaobin Miao; Scott M. Brombosz; Paul V. R. Schleyer; Judy I. Wu; Stephen Barlow; Seth R. Marder; Kenneth I. Hardcastle; Uwe H. F. Bunz","AreN,N-Dihydrodiazatetracene Derivatives Antiaromatic?","Journal of the American Chemical Society","2008","130","","7339","7344","10.1021/ja077614p","","","0.71073","MoKα","","0.2158","0.1484","","","0.3756","0.4149","","","","","","1.073","","","","has coordinates,has disorder","178824","2020-10-21","18:00:00",""
"4107859","30.889","0.004","13.6906","0.0013","7.2062","0.0008","90","","102.456","0.005","90","","2975.7","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 N2 Si2 -","- C32 H38 N2 Si2 -","- C128 H152 N8 Si8 -","4","0.5","","Shaobin Miao; Scott M. Brombosz; Paul V. R. Schleyer; Judy I. Wu; Stephen Barlow; Seth R. Marder; Kenneth I. Hardcastle; Uwe H. F. Bunz","AreN,N-Dihydrodiazatetracene Derivatives Antiaromatic?","Journal of the American Chemical Society","2008","130","","7339","7344","10.1021/ja077614p","","","1.54178","CuKα","","0.1282","0.0883","","","0.2224","0.2471","","","","","","1.076","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107860","7.069","0.0002","8.436","0.0003","18.5219","0.0006","90","","95.23","0.002","90","","1099.94","0.06","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 N2 -","- C16 H10 N2 -","- C64 H40 N8 -","4","1","","Shaobin Miao; Scott M. Brombosz; Paul V. R. Schleyer; Judy I. Wu; Stephen Barlow; Seth R. Marder; Kenneth I. Hardcastle; Uwe H. F. Bunz","AreN,N-Dihydrodiazatetracene Derivatives Antiaromatic?","Journal of the American Chemical Society","2008","130","","7339","7344","10.1021/ja077614p","","","1.54178","CuKα","","0.0541","0.0395","","","0.1152","0.128","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107861","5.8275","0.0003","7.8508","0.0004","12.515","0.0007","101.29","0.003","100.541","0.003","94.365","0.004","548.28","0.05","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C32 H24 N4 -","2","1","","Shaobin Miao; Scott M. Brombosz; Paul V. R. Schleyer; Judy I. Wu; Stephen Barlow; Seth R. Marder; Kenneth I. Hardcastle; Uwe H. F. Bunz","AreN,N-Dihydrodiazatetracene Derivatives Antiaromatic?","Journal of the American Chemical Society","2008","130","","7339","7344","10.1021/ja077614p","","","1.54178","CuKα","","0.0535","0.0445","","","0.1313","0.1404","","","","","","1.052","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107862","21.3885","0.0013","15.3559","0.0008","21.9899","0.0014","90","","117.885","0.001","90","","6383.8","0.7","143","1","143","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H72 Li3 N6 O6 Y -","- C72 H72 Li3 N6 O6 Y -","- C288 H288 Li12 N24 O24 Y4 -","4","1","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71069","MoKα","","0.0506","0.044","","","0.0972","0.1016","","","","","","1.053","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107863","21.4512","0.0011","15.2859","0.0007","22.0196","0.0011","90","","117.987","0.001","90","","6375.9","0.5","143","1","143","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H72 Li3 Lu N6 O6 -","- C72 H72 Li3 Lu N6 O6 -","- C288 H288 Li12 Lu4 N24 O24 -","4","1","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71069","MoKα","","0.0457","0.037","","","0.0676","0.0729","","","","","","1.121","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107864","21.3491","0.0013","15.4596","0.0008","22.1083","0.0014","90","","117.82","","90","","6453.4","0.7","143","1","143","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H72 La Li3 N6 O6 -","- C72 H72 La Li3 N6 O6 -","- C288 H288 La4 Li12 N24 O24 -","4","1","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71069","MoKα","","0.0619","0.0598","","","0.1423","0.1442","","","","","","1.051","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107865","18.532","0.004","11.479","0.003","19.262","0.005","90","","101.379","0.002","90","","4017","1.7","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C80 H76 La Li3 O11 -","- C80 H76 La Li3 O11 -","- C160 H152 La2 Li6 O22 -","2","1","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71069","MoKα","","0.0767","0.0585","","","0.1237","0.1357","","","","","","1.035","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107866","13.36","0.0008","13.5347","0.0008","23.0661","0.0015","90","","101.927","0.001","90","","4080.9","0.4","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C100 H76 La Li3 N6 O6 -","- C100 H76 La Li3 N8 O6 -","- C200 H152 La2 Li6 N16 O12 -","2","1","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71069","MoKα","","0.0334","0.0308","","","0.0742","0.0768","","","","","","1.082","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107867","21.28","0.003","15.4073","0.0016","21.986","0.003","90","","117.708","0.003","90","","6381.9","1.4","143","1","143","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H72 Eu Li3 N6 O6 -","- C72 H72 Eu Li3 N6 O6 -","- C288 H288 Eu4 Li12 N24 O24 -","4","1","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71069","MoKα","","0.0491","0.0431","","","0.0935","0.0975","","","","","","1.055","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107868","18.2048","0.0006","11.4818","0.0004","18.9389","0.0007","90","","100.19","0.001","90","","3896.2","0.2","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C80 H76 Eu Li3 O11 -","- C80 H76 Eu Li3 O11 -","- C160 H152 Eu2 Li6 O22 -","2","1","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71073","MoKα","","0.0536","0.0518","","","0.1584","0.1608","","","","","","1.151","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107869","19.416","0.002","25.18","0.003","29.907","0.003","90","","90","","90","","14621","3","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70.5 H74 Eu Li3 N8.5 O6.5 -","- C70.5 H74 Eu Li3 N8.5 O6.5 -","- C564 H592 Eu8 Li24 N68 O52 -","8","2","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71069","MoKα","","0.0647","0.0582","","","0.1743","0.1801","","","","","","1.095","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107870","18.0621","0.0008","31.9433","0.0013","14.5269","0.0006","90","","90","","90","","8381.5","0.6","143","1","143","1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C195 H147 Eu2 Li6 N15 O12 -","- C180 H132 Eu2 Li6 N12 O12 -","- C360 H264 Eu4 Li12 N24 O24 -","2","0.5","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71069","MoKα","","0.0555","0.0367","","","0.077","0.0822","","","","","","0.773","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107871","11.3943","0.0009","13.5615","0.0011","14.5726","0.0011","105.098","0.001","110.681","0.001","106.799","0.001","1844.2","0.3","143","1","143","1","","","","","","","","5","P 1","P 1","1","","","","- C84 H84 Li3 O12 Yb -","- C84 H84 Li3 O12 Yb -","- C84 H84 Li3 O12 Yb -","1","1","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71069","MoKα","","0.027","0.0268","","","0.0563","0.0564","","","","","","0.977","","","","has coordinates,has disorder","178824","2020-10-21","18:00:00",""
"4107872","18.2837","0.0013","11.4684","0.0008","19.0027","0.0014","90","","100.562","0.002","90","","3917.1","0.5","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C80 H76 Li3 O11 Pr -","- C80 H76 Li3 O11 Pr -","- C160 H152 Li6 O22 Pr2 -","2","1","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71069","MoKα","","0.054","0.0477","","","0.1161","0.1235","","","","","","1.097","","","","has coordinates,has disorder","178824","2020-10-21","18:00:00",""
"4107873","17.988","0.0006","31.6872","0.001","14.5672","0.0005","90","","90","","90","","8303.1","0.5","143","1","143","1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C97.5 H73.5 Li3 N7.5 O6 Yb -","- C97.5 H73.5 Li3 N7.5 O6 Yb -","- C390 H294 Li12 N30 O24 Yb4 -","4","1","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71069","MoKα","","0.0649","0.0519","","","0.1411","0.1524","","","","","","1.056","","","","has coordinates","270822","2021-11-23","08:35:46",""
"4107874","11.241","0.013","13.471","0.015","21.93","0.02","88.995","0.012","88.021","0.012","81.839","0.011","3285","6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H31 B F2 N2 S4 -","- C33 H31 B F2 N2 S4 -","- C132 H124 B4 F8 N8 S16 -","4","2","","Andrew C. Benniston; Graeme Copley; Anthony Harriman; Dorota B. Rewinska; Ross W. Harrington; William Clegg","A Donor-Acceptor Molecular Dyad Showing Multiple Electronic Energy-Transfer Processes in Crystalline and Amorphous States","Journal of the American Chemical Society","2008","130","","7174","7175","10.1021/ja800387d","","","0.7977","synchrotron","","0.1862","0.1023","","","0.2652","0.3088","","","","","","0.947","","","","has coordinates,has disorder","178824","2020-10-21","18:00:00",""
"4107875","13.697","0.002","11.7074","0.0016","14.558","0.002","90","","90","","90","","2334.5","0.6","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C21 H18 B F3 Mo N6 O4 -","- C21 H18 B F3 Mo N6 O4 -","- C84 H72 B4 F12 Mo4 N24 O16 -","4","1","","Ethel C. Garnier; Lanny S. Liebeskind","Organometallic Enantiomeric Scaffolding: General Access to 2-Substituted Oxa- and Azabicyclo[3.2.1]octenes via a Brønsted Acid Catalyzed [5 + 2] Cycloaddition Reaction","Journal of the American Chemical Society","2008","130","","7449","7458","10.1021/ja800664v","","","0.71073","MoKα","","0.1051","0.0753","","","0.1447","0.1564","","","","","","1.033","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107876","10.304","0.002","13.205","0.003","13.799","0.003","90","","110.89","0.03","90","","1754.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N O2 S -","- C18 H25 N O2 S -","- C72 H100 N4 O8 S4 -","4","1","","Lei Jiao; Siyu Ye; Zhi-Xiang Yu","Rh(I)-Catalyzed Intramolecular [3 + 2] Cycloaddition of trans-Vinylcyclopropane-enes","Journal of the American Chemical Society","2008","130","","7178","7179","10.1021/ja8008715","","","0.71073","MoKα","","0.1189","0.0577","","","0.1258","0.14","","","","","","0.974","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107877","11.0258","0.0005","14.7287","0.0006","17.6215","0.0007","90","","90","","90","","2861.7","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H51 Br O3 Si -","- C25 H51 Br O3 Si -","- C100 H204 Br4 O12 Si4 -","4","1","","Hao Li; Teck-Peng Loh","Control of up to Five Stereocenters in a Cascade Reaction: Synthesis of Highly Functionalized Five-Membered Rings","Journal of the American Chemical Society","2008","130","","7194","7195","10.1021/ja801488z","","","0.71073","MoKα","","0.0603","0.0368","","","0.0743","0.0826","","","","","","1.031","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107878","10.5848","0.0004","10.8318","0.0004","14.6865","0.0005","105.455","0.002","109.497","0.002","98.896","0.002","1473.89","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H49 Cl O3 Si -","- C29 H49 Cl O3 Si -","- C58 H98 Cl2 O6 Si2 -","2","1","","Hao Li; Teck-Peng Loh","Control of up to Five Stereocenters in a Cascade Reaction: Synthesis of Highly Functionalized Five-Membered Rings","Journal of the American Chemical Society","2008","130","","7194","7195","10.1021/ja801488z","","","0.71073","MoKα","","0.0677","0.0491","","","0.1498","0.1794","","","","","","1.12","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107879","16.694","0.006","25.514","0.009","11.092","0.004","90","0.002","94.772","0.002","90","0.002","4708","3","113","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H54 Cl4 Fe2 -","- C56 H54 Cl4 Fe2 -","- C224 H216 Cl16 Fe8 -","4","1","","Satoshi Muratsugu; Shoko Kume; Hiroshi Nishihara","Redox-Assisted Ring Closing Reaction of the Photogenerated Cyclophanediene Form of Bis(ferrocenyl)dimethyldihydropyrene with Interferrocene Electronic Communication Switching","Journal of the American Chemical Society","2008","130","","7204","7205","10.1021/ja8016494","","","0.7107","MoKα","","","0.0863","","","","0.2489","","","","","","1.063","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107880","20.4473","0.001","8.5753","0.0004","20.7023","0.0011","90","","95.704","0.002","90","","3612","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3235VWM","","","- C39 H49 N5 O6 Ru -","- C39 H49 N5 O6 Ru -","- C156 H196 N20 O24 Ru4 -","4","1","","Virginia W. Manner; Antonio G. DiPasquale; James M. Mayer","Facile Concerted Proton-Electron Transfers in a Ruthenium Terpyridine-4'-Carboxylate Complex with a Long Distance Between the Redox and Basic Sites","Journal of the American Chemical Society","2008","130","","7210","7211","10.1021/ja801672w","","","1.54178","CuKα","","0.0378","0.0334","","","0.0769","0.079","","","","","","1.055","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4107881","19.507","0.004","8.412","0.001","12.104","0.002","90","","91.85","0.02","90","","1985.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(bis(ethylenedithio)tetraselenafulvalene) tri(dicyanamidomanganate (II)","","","- C26 H16 Mn N9 S8 Se8 -","- C26 H16 Mn N9 S8 Se8 -","- C52 H32 Mn2 N18 S16 Se16 -","2","0.5","","Nataliya D. Kushch; Eduard B. Yagubskii; Mark V. Kartsovnik; Lev I. Buravov; Alexander D. Dubrovskii; Anatolii N. Chekhlov; Werner Biberacher","π-Donor BETS Based Bifunctional Superconductor with Polymeric Dicyanamidomanganate(II) Anion Layer: κ-(BETS)2Mn[N(CN)2]3","Journal of the American Chemical Society","2008","130","","7238","7240","10.1021/ja801841q","","","0.7107","MoKα","","0.0809","0.0392","","0.113","0.086","","","","0.935","1.081","1.081","","","","","has coordinates,has disorder","178824","2020-10-21","18:00:00",""
"4107882","15.2815","0.0003","10.8506","0.0002","20.2006","0.0003","90","","104.951","0.001","90","","3236.14","0.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 N2 O2 -","- C17 H24 N2 O2 -","- C136 H192 N16 O16 -","8","1","","Baoguo Zhao; Haifeng Du; Yian Shi","A Cu(I)-Catalyzed C-H α-Amination of Esters. Direct Synthesis of Hydantoins","Journal of the American Chemical Society","2008","130","","7220","7221","10.1021/ja802242h","","","0.71073","MoKα","","0.0569","0.0443","","","0.123","0.1333","","","","","","1.032","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107883","9.4261","0.0003","19.5939","0.0006","7.9784","0.0002","90","","103.533","0.002","90","","1432.65","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Baoguo Zhao; Haifeng Du; Yian Shi","A Cu(I)-Catalyzed C-H α-Amination of Esters. Direct Synthesis of Hydantoins","Journal of the American Chemical Society","2008","130","","7220","7221","10.1021/ja802242h","","","0.71073","MoKα","","0.0889","0.052","","","0.1321","0.154","","","","","","1.062","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107884","13.563","0.0011","11.4777","0.0009","13.6129","0.001","90","","105.522","0.003","90","","2041.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","LCCFormOH","","","- C23 H31 N O7 -","- C23 H31 N O7 -","- C92 H124 N4 O28 -","4","2","","Ryan A. Shenvi; Carlos A. Guerrero; Jun Shi; Chuang-Chuang Li; Phil S. Baran","Synthesis of (+)-Cortistatin A","Journal of the American Chemical Society","2008","130","","7241","7243","10.1021/ja8023466","","","1.54178","CuKα","","0.027","0.0266","","","0.0691","0.0694","","","","","","1.046","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4107885","7.3942","0.0003","9.8421","0.0004","27.3297","0.0014","90","","90","","90","","1988.9","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","LCC-diol","","","- C22 H31 N O6 -","- C22 H31 N O6 -","- C88 H124 N4 O24 -","4","1","","Ryan A. Shenvi; Carlos A. Guerrero; Jun Shi; Chuang-Chuang Li; Phil S. Baran","Synthesis of (+)-Cortistatin A","Journal of the American Chemical Society","2008","130","","7241","7243","10.1021/ja8023466","","","1.54178","CuKα","","0.0391","0.0318","","","0.07","0.0733","","","","","","1.031","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4107886","14.0002","0.0008","6.891","0.0004","14.3433","0.0008","90","","98.124","0.003","90","","1369.89","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","JS-3","","","- C26 H36 N O7 Si -","- C26 H36 N O7 Si -","- C52 H72 N2 O14 Si2 -","2","1","","Ryan A. Shenvi; Carlos A. Guerrero; Jun Shi; Chuang-Chuang Li; Phil S. Baran","Synthesis of (+)-Cortistatin A","Journal of the American Chemical Society","2008","130","","7241","7243","10.1021/ja8023466","","","1.54178","CuKα","","0.034","0.0317","","","0.0811","0.0825","","","","","","1.057","","","","has coordinates","278044","2022-09-21","13:27:52",""
"4107887","14.801","0.0007","19.3787","0.0009","7.3587","0.0003","90","","90","","90","","2110.65","0.16","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","LCC-Br-cyclo","","","- C23 H28 Br N O7 -","- C23 H28 Br N O7 -","- C92 H112 Br4 N4 O28 -","4","1","","Ryan A. Shenvi; Carlos A. Guerrero; Jun Shi; Chuang-Chuang Li; Phil S. Baran","Synthesis of (+)-Cortistatin A","Journal of the American Chemical Society","2008","130","","7241","7243","10.1021/ja8023466","","","0.71073","MoKα","","0.0328","0.0299","","","0.0761","0.0775","","","","","","1.037","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4107888","9.2942","0.0008","9.2942","0.0008","16.1873","0.0019","90","","90","","90","","1398.3","0.2","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","","","- C15 H13 Br O3 -","- C15 H13 Br O3 -","- C60 H52 Br4 O12 -","4","1","","Ying-Qing Jiang; Yong-Ling Shi; Min Shi","Chiral Phosphine-Catalyzed Enantioselective Construction of γ-Butenolides Through Substitution of Morita-Baylis-Hillman Acetates with 2-Trimethylsilyloxy Furan","Journal of the American Chemical Society","2008","130","","7202","7203","10.1021/ja802422d","","","0.71073","MoKα","","0.0752","0.065","","","0.1574","0.1632","","","","","","1.07","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107889","17.5145","0.0007","11.3698","0.0004","18.5318","0.0007","90","","113.714","0.001","90","","3378.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 B N2 -","- C20 H23 B N2 -","- C160 H184 B8 N16 -","8","2","","Eric R. Abbey; Lev N. Zakharov; Shih-Yuan Liu","Crystal Clear Structural Evidence for Electron Delocalization in 1,2-Dihydro-1,2-azaborines","Journal of the American Chemical Society","2008","130","","7250","7252","10.1021/ja8024966","","","0.71073","MoKα","","0.0612","0.0506","","","0.1328","0.145","","","","","","1.003","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107890","17.7457","0.0013","11.468","0.0008","18.6032","0.0014","90","","113.451","0.001","90","","3473.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 B N2 -","- C20 H25 B N2 -","- C160 H200 B8 N16 -","8","2","","Eric R. Abbey; Lev N. Zakharov; Shih-Yuan Liu","Crystal Clear Structural Evidence for Electron Delocalization in 1,2-Dihydro-1,2-azaborines","Journal of the American Chemical Society","2008","130","","7250","7252","10.1021/ja8024966","","","0.71073","MoKα","","0.0559","0.0452","","","0.1058","0.1146","","","","","","1.061","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107891","9.3902","0.0006","16.6049","0.0011","11.3179","0.0008","90","","98.344","0.001","90","","1746","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 B N2 -","- C20 H25 B N2 -","- C80 H100 B4 N8 -","4","1","","Eric R. Abbey; Lev N. Zakharov; Shih-Yuan Liu","Crystal Clear Structural Evidence for Electron Delocalization in 1,2-Dihydro-1,2-azaborines","Journal of the American Chemical Society","2008","130","","7250","7252","10.1021/ja8024966","","","0.71073","MoKα","","0.063","0.046","","","0.0989","0.109","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107892","10.1761","0.0011","11.5744","0.0012","15.4369","0.0016","81.469","0.002","83.033","0.002","74.388","0.002","1725.4","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 B N2 -","- C20 H25 B N2 -","- C80 H100 B4 N8 -","4","2","","Eric R. Abbey; Lev N. Zakharov; Shih-Yuan Liu","Crystal Clear Structural Evidence for Electron Delocalization in 1,2-Dihydro-1,2-azaborines","Journal of the American Chemical Society","2008","130","","7250","7252","10.1021/ja8024966","","","0.71073","MoKα","","0.0921","0.0557","","","0.1184","0.1349","","","","","","1.028","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107893","9.6233","0.0008","16.3666","0.0013","11.5544","0.0009","90","","96.654","0.002","90","","1807.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 B N2 -","- C20 H27 B N2 -","- C80 H108 B4 N8 -","4","1","","Eric R. Abbey; Lev N. Zakharov; Shih-Yuan Liu","Crystal Clear Structural Evidence for Electron Delocalization in 1,2-Dihydro-1,2-azaborines","Journal of the American Chemical Society","2008","130","","7250","7252","10.1021/ja8024966","","","0.71073","MoKα","","0.0868","0.052","","","0.1091","0.1282","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107894","9.3648","0.001","10.0518","0.0011","18.751","0.002","90","","90","","90","","1765.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O3 S -","- C19 H25 N O3 S -","- C76 H100 N4 O12 S4 -","4","1","","Liang Lu; Wei Zhang; Rich G. Carter","Total Synthesis of Cytotoxic Macrolide Amphidinolide B1and the Proposed Structure of Amphidinolide B2","Journal of the American Chemical Society","2008","130","","7253","7255","10.1021/ja803012n","","","0.71073","MoKα","","0.0618","0.0436","","","0.0799","0.0876","","","","","","1.06","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107895","5.58392","0.00017","38.9909","0.0011","5.61065","0.00018","90","","90","","90","","1221.56","0.06","","","","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- Ba0.81 Ca0.78 Fe2.5 Nd0.91 O6.43 -","- Ba0.8116 Ca0.77905 Fe2.5 Nd0.90915 O6.43 -","- Ba6.4928 Ca6.2324 Fe20 Nd7.2732 O51.44 -","8","0.5","","Christophe Tenailleau; Mathieu Allix; John B. Claridge; Maryvonne Hervieu; Michael F. Thomas; James P. Hirst; Matthew J. Rosseinsky","Modular Construction of Oxide Structures-Compositional Control of Transition Metal Coordination Environments","Journal of the American Chemical Society","2008","130","","7570","7583","10.1021/ja077762f","powder diffraction","neutron","1.59432","","","","","","","","","0.09473","","3.23","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4107896","18.99784","","5.38025","","8.43848","","90","","90","","90","","862.523","","","","","","","","","","","","","3","B b 21 m","B -2 -2b","36","","","","- Ba Fe2 O4 -","- Ba Fe2 O4 -","- Ba8 Fe16 O32 -","8","1","","Christophe Tenailleau; Mathieu Allix; John B. Claridge; Maryvonne Hervieu; Michael F. Thomas; James P. Hirst; Matthew J. Rosseinsky","Modular Construction of Oxide Structures-Compositional Control of Transition Metal Coordination Environments","Journal of the American Chemical Society","2008","130","","7570","7583","10.1021/ja077762f","powder diffraction","x-ray","1.78896","","","","","","","","","0.08315","","1.11","","","","","","","has coordinates,has Fobs","178824","2020-10-21","18:00:00",""
"4107897","4.98","0.004","8.509","0.006","16.242","0.012","92.121","0.011","96.382","0.014","97.568","0.012","677.1","0.9","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 I4 N4 O2 -","- C20 H18 I4 N4 O2 -","- C20 H18 I4 N4 O2 -","1","0.5","","Liang Luo; Christopher Wilhelm; Aiwu Sun; Clare P. Grey; Joseph W. Lauher; Nancy S. Goroff","Poly(diiododiacetylene): Preparation, Isolation, and Full Characterization of a Very Simple Poly(diacetylene)","Journal of the American Chemical Society","2008","130","","7702","7709","10.1021/ja8011403","","","0.71073","MoKα","","0.3385","0.0636","","","0.1272","0.1743","","","","","","0.645","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107898","4.9395","0.0017","8.699","0.003","15.821","0.006","94.874","0.008","97.664","0.006","98.583","0.007","662.4","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 I4 N4 O2 -","- C20 H18 I4 N4 O2 -","- C20 H18 I4 N4 O2 -","1","0.5","","Liang Luo; Christopher Wilhelm; Aiwu Sun; Clare P. Grey; Joseph W. Lauher; Nancy S. Goroff","Poly(diiododiacetylene): Preparation, Isolation, and Full Characterization of a Very Simple Poly(diacetylene)","Journal of the American Chemical Society","2008","130","","7702","7709","10.1021/ja8011403","","","0.71073","MoKα","","0.1288","0.06","","","0.138","0.1655","","","","","","0.864","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107899","5.3592","0.0001","6.121","0.0002","10.633","0.0003","90.47","0.002","95.167","0.002","100.205","0.002","341.785","0.016","293","2","293","2","","","","","","","","6","P -1","-P 1","2","DITFB/tmo 1/1","1,4-difluorotetraiodobenzene-1,4-thimorpholine 1/1","","- C10 H9 F4 I2 N S -","- C10 H9 F4 I2 N S -","- C10 H9 F4 I2 N S -","1","0.5","","Dominik Cinčić; Tomislav Friščić; William Jones","A Stepwise Mechanism for the Mechanochemical Synthesis of Halogen-Bonded Cocrystal Architectures","Journal of the American Chemical Society","2008","130","","7524","7525","10.1021/ja801164v","","","0.71073","MoKα","","0.0426","0.0337","","","0.0696","0.0742","","","","","","1.114","","","","has coordinates,has disorder","178824","2020-10-21","18:00:00",""
"4107900","5.2314","0.0001","6.1085","0.0001","15.3239","0.0003","100.209","0.001","96.185","0.001","99.371","0.001","470.778","0.015","180","2","180","2","","","","","","","","6","P -1","-P 1","2","(1,4-tfib).(tmo)2","1,4-diiodotetrafluorobenzene-1,4-thiomorpholine 1/2","","- C14 H18 F4 I2 N2 S2 -","- C14 H18 F4 I2 N2 S2 -","- C14 H18 F4 I2 N2 S2 -","1","0.5","","Dominik Cinčić; Tomislav Friščić; William Jones","A Stepwise Mechanism for the Mechanochemical Synthesis of Halogen-Bonded Cocrystal Architectures","Journal of the American Chemical Society","2008","130","","7524","7525","10.1021/ja801164v","","","0.71073","MoKα","","0.0325","0.0315","","","0.0825","0.0837","","","","","","1.049","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107901","5.2892","0.0001","6.0639","0.0001","15.3113","0.0003","99.382","0.001","95.93","0.001","99.454","0.001","473.643","0.015","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(1,4-tfib).(pipe)2","1,4-diiodotetrafluorobenzene-piperidine 1/2","","- C16 H22 F4 I2 N2 -","- C16 H22 F4 I2 N2 -","- C16 H22 F4 I2 N2 -","1","0.5","","Dominik Cinčić; Tomislav Friščić; William Jones","A Stepwise Mechanism for the Mechanochemical Synthesis of Halogen-Bonded Cocrystal Architectures","Journal of the American Chemical Society","2008","130","","7524","7525","10.1021/ja801164v","","","0.71073","MoKα","","0.0383","0.0355","","","0.0957","0.0977","","","","","","1.213","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107902","8.9245","0.0002","21.1954","0.0003","7.2904","0.0001","90","","90","","90","","1379.04","0.04","180","2","180","2","","","","","","","","6","P n m a","-P 2ac 2n","62","ODI-tmo 1/1","1,2-DIIODOTETRAFLUOROBENZENE-1,4-THIOMORPHOLINE 1/1","","- C10 H9 F4 I2 N S -","- C10 H9 F4 I2 N S -","- C40 H36 F16 I8 N4 S4 -","4","0.5","","Dominik Cinčić; Tomislav Friščić; William Jones","A Stepwise Mechanism for the Mechanochemical Synthesis of Halogen-Bonded Cocrystal Architectures","Journal of the American Chemical Society","2008","130","","7524","7525","10.1021/ja801164v","","","0.71073","MoKα","","0.0507","0.0386","","","0.0932","0.1107","","","","","","1.263","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107903","10.818","0.001","13.2984","0.0012","16.557","0.0015","90","","90","","90","","2381.9","0.4","163","2","163","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H25 N3 -","- C33 H25 N3 -","- C132 H100 N12 -","4","1","","Dennis H. Leung; Joseph W. Ziller; Zhibin Guan","Axial Donating Ligands: A New Strategy for Late Transition Metal Olefin Polymerization Catalysis","Journal of the American Chemical Society","2008","130","","7538","7539","10.1021/ja8017847","","","0.71073","MoKα","","0.0677","0.039","","","0.0736","0.086","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107904","12.1681","0.0012","12.2662","0.0012","12.3904","0.0012","67.212","0.002","81.112","0.002","78.737","0.002","1665.8","0.3","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cl N3 Pd -","- C34 H28 Cl N3 Pd -","- C68 H56 Cl2 N6 Pd2 -","2","1","","Dennis H. Leung; Joseph W. Ziller; Zhibin Guan","Axial Donating Ligands: A New Strategy for Late Transition Metal Olefin Polymerization Catalysis","Journal of the American Chemical Society","2008","130","","7538","7539","10.1021/ja8017847","","","0.71073","MoKα","","0.0616","0.0586","","","0.1925","0.1966","","","","","","1.128","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107905","19.306","0.003","16.092","0.003","21.832","0.004","90","","108.852","0.008","90","","6419","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H19 B2 F40 N O -","- C71 H19 B2 F40 N O -","- C284 H76 B8 F160 N4 O4 -","4","0.5","","Edward L. Clennan; Chen Liao; Erambo Ayokosok","Pyrylogens: Synthesis, Structural, Electrochemical, and Photophysical Characterization of a New Class of Electron Transfer Sensitizers","Journal of the American Chemical Society","2008","130","","7552","7553","10.1021/ja802343v","","","0.71073","MoKα","","0.1047","0.0451","","","0.1164","0.1438","","","","","","1.029","","","","has coordinates,has disorder","178825","2020-10-21","18:00:00",""
"4107906","6.7443","0.0019","11.952","0.004","15.773","0.005","90","","90","","90","","1271.4","0.7","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C56 H76 N4 O16 -","4","1","","Peng Liu; Sungwoo Hong; Steven M. Weinreb","Total Synthesis of the Securinega Alkaloid (-)-Secu'amamine A","Journal of the American Chemical Society","2008","130","","7562","7563","10.1021/ja802700z","","","0.71073","MoKα","","0.0417","0.0399","","","0.0987","0.1008","","","","","","0.757","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107907","7.5059","0.0009","7.1184","0.0009","10.6757","0.0013","90","","90.675","0.002","90","","570.36","0.12","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C26 H30 N2 O6 -","2","1","","Peng Liu; Sungwoo Hong; Steven M. Weinreb","Total Synthesis of the Securinega Alkaloid (-)-Secu'amamine A","Journal of the American Chemical Society","2008","130","","7562","7563","10.1021/ja802700z","","","0.71073","MoKα","","0.0406","0.038","","","0.0987","0.101","","","","","","1.06","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107908","9.5856","0.001","21.593","0.002","14.2124","0.0015","90","","104.175","0.002","90","","2852.1","0.5","158","2","158","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H38 N2 O7 -","- C29 H38 N2 O7 -","- C116 H152 N8 O28 -","4","1","","Connor L. Martin; Larry E. Overman; Jason M. Rohde","Total Synthesis of (\±)-Actinophyllic Acid","Journal of the American Chemical Society","2008","130","","7568","7569","10.1021/ja803158y","","","0.71073","MoKα","","0.0652","0.0408","","","0.0931","0.1088","","","","","","1.022","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107909","5.56049","0.00005","38.71093","0.00031","5.58134","0.00005","90","","90","","90","","1201.39","0.018","","","","","","","","","","","","5","I 2 m b","I -2b 2","46","","","","- Ba1.62 Ca1.56 Fe5 Nd1.82 O13 -","- Ba1.6232 Ca1.5581 Fe5 Nd1.8183 O13 -","- Ba6.4928 Ca6.2324 Fe20 Nd7.2732 O52 -","4","0.5","","Christophe Tenailleau; Mathieu Allix; John B. Claridge; Maryvonne Hervieu; Michael F. Thomas; James P. Hirst; Matthew J. Rosseinsky","Modular Construction of Oxide Structures-Compositional Control of Transition Metal Coordination Environments","Journal of the American Chemical Society","2008","130","","7570","7583","10.1021/ja077762f","powder diffraction","x-ray","0.6","","","","","","","","","0.05176","","2.56","","","","","","","has coordinates,has Fobs","178825","2020-10-21","18:00:00",""
"4107910","5.56053","0.00006","38.7107","0.0004","5.58133","0.00006","90","","90","","90","","1201.39","0.02","","","","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- Ba0.41 Ca0.39 Fe1.25 Nd0.45 O3.25 -","- Ba0.4058 Ca0.389525 Fe1.25 Nd0.454575 O3.25 -","- Ba6.4928 Ca6.2324 Fe20 Nd7.2732 O52 -","16","1","","Christophe Tenailleau; Mathieu Allix; John B. Claridge; Maryvonne Hervieu; Michael F. Thomas; James P. Hirst; Matthew J. Rosseinsky","Modular Construction of Oxide Structures-Compositional Control of Transition Metal Coordination Environments","Journal of the American Chemical Society","2008","130","","7570","7583","10.1021/ja077762f","powder diffraction","x-ray","0.6","","","","","","","","","0.05181","","2.63","","","","","","","has coordinates,has Fobs","178825","2020-10-21","18:00:00",""
"4107911","5.52075","0.00005","11.68876","0.00013","5.60301","0.00005","90","","90","","90","","361.566","0.006","","","","","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- Ba Ca Fe3 Nd O8 -","- Ba Ca1.0004 Fe3 Nd0.9999 O8 -","- Ba2 Ca2.0008 Fe6 Nd1.9998 O16 -","2","0.25","","Christophe Tenailleau; Mathieu Allix; John B. Claridge; Maryvonne Hervieu; Michael F. Thomas; James P. Hirst; Matthew J. Rosseinsky","Modular Construction of Oxide Structures-Compositional Control of Transition Metal Coordination Environments","Journal of the American Chemical Society","2008","130","","7570","7583","10.1021/ja077762f","powder diffraction","","","","","","","","","","","","","1.11","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4107912","10.4434","0.0007","11.6473","0.0006","15.558","0.0009","90","","90","","90","","1892.43","0.19","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 N2 O6 -","- C15 H28 N2 O6 -","- C60 H112 N8 O24 -","4","1","","Enrique Gomez-Bengoa; Anthony Linden; Rosa López; Idoia Múgica-Mendiola; Mikel Oiarbide; Claudio Palomo","Asymmetric Aza-Henry Reaction Under Phase Transfer Catalysis: An Experimental and Theoretical Study","Journal of the American Chemical Society","2008","130","","7955","7966","10.1021/ja800253z","","","0.71073","MoKα","","0.071","0.0564","","","0.1425","0.1533","","","","","","1.056","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4107913","5.2003","0.0011","7.5427","0.0017","8.9943","0.0019","66.624","0.002","77.794","0.002","74.287","0.003","309.57","0.12","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H10 Cd O12 -","- C8 H10 Cd O12 -","- C8 H10 Cd O12 -","1","0.5","","Bo Zheng; Hao Dong; Junfeng Bai; Yizhi Li; Shuhua Li; Manfred Scheer","Temperature Controlled Reversible Change of the Coordination Modes of the Highly Symmetrical Multitopic Ligand To Construct Coordination Assemblies: Experimental and Theoretical Studies","Journal of the American Chemical Society","2008","130","","7778","7779","10.1021/ja800439p","","","0.71073","MoKα","","0.0283","0.0269","","","0.0643","0.0646","","","","","","1.082","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107914","6.9429","0.0009","16.203","0.002","16.022","0.002","90","","99.525","0.002","90","","1777.6","0.4","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 Cd4 O34 -","- C16 H36 Cd4 O34 -","- C32 H72 Cd8 O68 -","2","0.5","","Bo Zheng; Hao Dong; Junfeng Bai; Yizhi Li; Shuhua Li; Manfred Scheer","Temperature Controlled Reversible Change of the Coordination Modes of the Highly Symmetrical Multitopic Ligand To Construct Coordination Assemblies: Experimental and Theoretical Studies","Journal of the American Chemical Society","2008","130","","7778","7779","10.1021/ja800439p","","","0.71073","MoKα","","0.0601","0.0508","","","0.1303","0.1359","","","","","","1.055","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107915","8.2631","0.0007","12.0373","0.0011","6.2297","0.0006","90","","102.876","0.001","90","","604.06","0.1","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 Cd O6 -","- C4 H4 Cd O6 -","- C16 H16 Cd4 O24 -","4","1","","Bo Zheng; Hao Dong; Junfeng Bai; Yizhi Li; Shuhua Li; Manfred Scheer","Temperature Controlled Reversible Change of the Coordination Modes of the Highly Symmetrical Multitopic Ligand To Construct Coordination Assemblies: Experimental and Theoretical Studies","Journal of the American Chemical Society","2008","130","","7778","7779","10.1021/ja800439p","","","0.71073","MoKα","","0.0325","0.0309","","","0.0743","0.075","","","","","","1.154","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107916","11.7671","0.0008","11.7671","0.0008","14.9271","0.0014","90","","90","","120","","1790","0.2","291","2","291","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H4 Cd O6 -","- C4 H4 Cd O6 -","- C36 H36 Cd9 O54 -","9","0.5","","Bo Zheng; Hao Dong; Junfeng Bai; Yizhi Li; Shuhua Li; Manfred Scheer","Temperature Controlled Reversible Change of the Coordination Modes of the Highly Symmetrical Multitopic Ligand To Construct Coordination Assemblies: Experimental and Theoretical Studies","Journal of the American Chemical Society","2008","130","","7778","7779","10.1021/ja800439p","","","0.71073","MoKα","","0.0194","0.0192","","","0.0503","0.0504","","","","","","1.092","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107917","33.1947","0.0016","9.7794","0.0004","18.2274","0.0007","90","","92.52","0.001","90","","5911.3","0.4","16","2","16","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H73 Co3 N5 O19 -","- C55 H73 Co3 N5 O19 -","- C220 H292 Co12 N20 O76 -","4","0.5","","H. F. Clausen; J. Overgaard; Yu-Sheng Chen; Bo Brummerstedt Iversen","Synchrotron X-ray Charge Density Study of Coordination Polymer Co~3~(C~8~H~4~O~4~)~4~(C~4~H~12~N)~2~(C~5~H~11~NO)~3~ at 16 K","Journal of the American Chemical Society","2008","130","","7988","7996","10.1021/ja8007215","","","0.41328","synchrotron","","0.038","0.023","","","","0.053","0.035","","","","","0.627","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107918","8.1456","0.0004","13.1188","0.0006","19.8366","0.0008","80.628","0.003","80.543","0.003","89.488","0.003","2062.68","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43.19 H26.37 Cl0.37 F15 Ir N6 -","- C43.185 H26.37 Cl0.37 F15 Ir N6 -","- C86.37 H52.74 Cl0.74 F30 Ir2 N12 -","2","1","","Joshua H. Palmer; Michael W. Day; Aaron D. Wilson; Lawrence M. Henling; Zeev Gross; Harry B. Gray","Iridium Corroles","Journal of the American Chemical Society","2008","130","","7786","7787","10.1021/ja801049t","","","0.71073","MoKα","","0.0458","0.033","","","0.0548","0.0561","","","","","","1.818","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4107919","10.5456","0.0005","12.9293","0.0006","21.2776","0.0009","81.591","0.003","76.344","0.003","86.714","0.003","2788","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H24 Br8 Cl6 F15 Ir N6 -","- C46 H24 Br8 Cl6 F15 Ir N6 -","- C92 H48 Br16 Cl12 F30 Ir2 N12 -","2","1","","Joshua H. Palmer; Michael W. Day; Aaron D. Wilson; Lawrence M. Henling; Zeev Gross; Harry B. Gray","Iridium Corroles","Journal of the American Chemical Society","2008","130","","7786","7787","10.1021/ja801049t","","","0.71073","MoKα","","0.0793","0.0412","","","0.0606","0.0634","","","","","","1.534","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4107920","7.9758","0.0003","10.8093","0.0004","17.284","0.0006","94.35","0.002","92.124","0.002","92.617","0.002","1483.03","0.09","98","2","98","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H51 B Br N P2 Pt Si -","- C21 H51 B Br N P2 Pt Si -","- C42 H102 B2 Br2 N2 P4 Pt2 Si2 -","2","1","","Holger Braunschweig; Thomas Kupfer; Krzysztof Radacki; Achim Schneider; Fabian Seeler; Katharina Uttinger; Hongmei Wu","Synthesis and Reactivity Studies of Iminoboryl Complexes","Journal of the American Chemical Society","2008","130","","7974","7983","10.1021/ja8016889","","","0.71073","MoKα","","0.0183","0.0172","","","0.043","0.044","","","","","","1.039","","","","has coordinates,has disorder","178825","2020-10-21","18:00:00",""
"4107921","9.0559","0.0007","13.525","0.001","19.8772","0.0015","90","","94.388","0.002","90","","2427.4","0.3","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C12 H36 B Br2 N P3 Rh Si -","- C12 H36 B Br2 N P3 Rh Si -","- C48 H144 B4 Br8 N4 P12 Rh4 Si4 -","4","1","","Holger Braunschweig; Thomas Kupfer; Krzysztof Radacki; Achim Schneider; Fabian Seeler; Katharina Uttinger; Hongmei Wu","Synthesis and Reactivity Studies of Iminoboryl Complexes","Journal of the American Chemical Society","2008","130","","7974","7983","10.1021/ja8016889","","","0.71073","MoKα","","0.0448","0.0395","","","0.0869","0.0887","","","","","","1.187","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107922","14.0147","0.0015","21.578","0.002","16.6106","0.0018","90","","97.802","0.006","90","","4976.7","0.9","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C46 H84 B Br Cl2 N2 P2 Pt Si -","- C46 H84 B Br Cl2 N2 P2 Pt Si -","- C184 H336 B4 Br4 Cl8 N8 P8 Pt4 Si4 -","4","1","","Holger Braunschweig; Thomas Kupfer; Krzysztof Radacki; Achim Schneider; Fabian Seeler; Katharina Uttinger; Hongmei Wu","Synthesis and Reactivity Studies of Iminoboryl Complexes","Journal of the American Chemical Society","2008","130","","7974","7983","10.1021/ja8016889","","","0.71073","MoKα","","0.0435","0.0301","","","0.0708","0.0803","","","","","","1.134","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107923","18.3001","0.0012","17.1048","0.0012","19.0262","0.0013","90","","110.753","0.003","90","","5569.2","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C92 H170 B2 Br2 Cl12 N4 P4 Pt2 -","- C92 H170 B2 Br2 Cl12 N4 P4 Pt2 -","- C184 H340 B4 Br4 Cl24 N8 P8 Pt4 -","2","0.5","","Holger Braunschweig; Thomas Kupfer; Krzysztof Radacki; Achim Schneider; Fabian Seeler; Katharina Uttinger; Hongmei Wu","Synthesis and Reactivity Studies of Iminoboryl Complexes","Journal of the American Chemical Society","2008","130","","7974","7983","10.1021/ja8016889","","","0.71073","MoKα","","0.0649","0.0393","","","0.0929","0.1143","","","","","","1.189","","","","has coordinates,has disorder","178825","2020-10-21","18:00:00",""
"4107924","10.1668","0.0004","10.6685","0.0004","22.9023","0.0008","89.324","0.002","89.453","0.002","83.333","0.002","2467.03","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C49.87 H87 B Br0.07 N P2 Pt Si -","- C49.8658 H87 B Br0.0671 N P2 Pt Si -","- C99.7316 H174 B2 Br0.1342 N2 P4 Pt2 Si2 -","2","1","","Holger Braunschweig; Thomas Kupfer; Krzysztof Radacki; Achim Schneider; Fabian Seeler; Katharina Uttinger; Hongmei Wu","Synthesis and Reactivity Studies of Iminoboryl Complexes","Journal of the American Chemical Society","2008","130","","7974","7983","10.1021/ja8016889","","","0.71073","MoKα","","0.026","0.0235","","","0.0588","0.0604","","","","","","1.072","","","","has coordinates,has disorder","178825","2020-10-21","18:00:00",""
"4107925","6.6746","0.0005","20.6662","0.0016","22.0533","0.0018","90","","90","","90","","3042","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H30 Br N O3 -","- C37 H30 Br N O3 -","- C148 H120 Br4 N4 O12 -","4","1","","Wenhao Hu; Xinfang Xu; Jing Zhou; Wei-Jun Liu; Haoxi Huang; Juan Hu; Liping Yang; Liu-Zhu Gong","Cooperative Catalysis with Chiral Brønsted Acid-Rh2(OAc)4: Highly Enantioselective Three-Component Reactions of Diazo Compounds with Alcohols and Imines","Journal of the American Chemical Society","2008","130","","7782","7783","10.1021/ja801755z","","","0.71073","MoKα","","0.0799","0.0532","","","0.0962","0.1048","","","","","","0.954","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107926","9.6828","0.0011","9.2447","0.0011","14.8343","0.0018","90","","90.683","0.002","90","","1327.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H41 N5 O5 -","- C23 H41 N5 O5 -","- C46 H82 N10 O10 -","2","1","","Felix Freire; John D. Fisk; Aaron J. Peoples; Monika Ivancic; Ilia A. Guzei; Samuel H. Gellman","Diacid Linkers That Promote Parallel β-Sheet Secondary Structure in Water","Journal of the American Chemical Society","2008","130","","7839","7841","10.1021/ja802042c","","","0.71073","MoKα","","0.0644","0.0457","","","0.1162","0.1363","","","","","","1.144","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107927","9.3424","0.0013","29.882","0.004","9.8152","0.0014","90","","91.02","0.002","90","","2739.7","0.7","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H45 N5 O6 -","- C24 H45 N5 O6 -","- C96 H180 N20 O24 -","4","2","","Felix Freire; John D. Fisk; Aaron J. Peoples; Monika Ivancic; Ilia A. Guzei; Samuel H. Gellman","Diacid Linkers That Promote Parallel β-Sheet Secondary Structure in Water","Journal of the American Chemical Society","2008","130","","7839","7841","10.1021/ja802042c","","","0.71073","MoKα","","0.1581","0.1437","","","0.3609","0.3759","","","","","","0.994","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107928","21.498","0.003","21.498","0.003","10.836","0.003","90","","90","","120","","4337.1","1.5","105","2","105","2","","","","","","","","4","P 63","P 6c","173","","","","- C25 H45 N5 O5 -","- C25 H45 N5 O5 -","- C150 H270 N30 O30 -","6","1","","Felix Freire; John D. Fisk; Aaron J. Peoples; Monika Ivancic; Ilia A. Guzei; Samuel H. Gellman","Diacid Linkers That Promote Parallel β-Sheet Secondary Structure in Water","Journal of the American Chemical Society","2008","130","","7839","7841","10.1021/ja802042c","","","0.71073","Mo-Kα","","0.1299","0.1025","","","0.2581","0.2898","","","","","","1.035","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107929","22.321","0.002","10.7863","0.0011","12.3575","0.0013","90","","90","","90","","2975.2","0.5","105","2","105","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C25.5 H48 N5 O6 -","- C25.5 H48 N5 O6 -","- C102 H192 N20 O24 -","4","1","","Felix Freire; John D. Fisk; Aaron J. Peoples; Monika Ivancic; Ilia A. Guzei; Samuel H. Gellman","Diacid Linkers That Promote Parallel β-Sheet Secondary Structure in Water","Journal of the American Chemical Society","2008","130","","7839","7841","10.1021/ja802042c","","","0.71073","Mo-Kα","","0.04","0.0361","","","0.0951","0.0998","","","","","","1.061","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107930","13.2529","0.0019","13.253","","13.995","0.002","90","","90","","90","","2458.1","0.5","193","2","193","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C22 H32 Co N6 O3 -","- C21.5 H6 Co N6 O3 -","- C86 H24 Co4 N24 O12 -","4","1","","Hye Jin Choi; Mircea Dincă; Jeffrey R. Long","Broadly Hysteretic H2Adsorption in the Microporous Metal-Organic Framework Co(1,4-benzenedipyrazolate)","Journal of the American Chemical Society","2008","130","","7848","7850","10.1021/ja8024092","","","0.7749","MoKα","","0.0904","0.0781","","","0.2116","0.2211","","","","","","1.677","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107931","12.3497","0.001","25.303","0.0019","5.5954","0.0005","90","","90","","90","","1748.5","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H17 N O3 -","- C23 H17 N O3 -","- C92 H68 N4 O12 -","4","1","","Ji Min Lee; Eun Ju Park; Seung Hwan Cho; Sukbok Chang","Cu-Facilitated C-O Bond Formation Using N-Hydroxyphthalimide: Efficient and Selective Functionalization of Benzyl and Allylic C-H Bonds","Journal of the American Chemical Society","2008","130","","7824","7825","10.1021/ja8031218","","","0.71073","MoKα","","0.0354","0.0283","","","0.0767","0.1017","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107932","14.6044","0.0017","14.9475","0.0017","19.842","0.002","85.636","0.002","88.659","0.002","61.5","0.001","3795.1","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Gd3N@C82.NiOEP.2benzene nonIPR isomer 39663","","","- C130 H56 Gd3 N5 Ni -","- C130 H56 Gd2.99 N5 Ni -","- C260 H112 Gd5.98 N10 Ni2 -","2","1","","Brandon Q. Mercado; Christine M. Beavers; Marilyn M. Olmstead; Manuel N. Chaur; Kenneth Walker; Brian C. Holloway; Luis Echegoyen; Alan L. Balch","Is the Isolated Pentagon Rule Merely a Suggestion for Endohedral Fullerenes? The Structure of a Second Egg-Shaped Endohedral Fullerene-Gd3N@Cs(39663)-C82","Journal of the American Chemical Society","2008","130","","7854","7855","10.1021/ja8032263","","","0.7749","synchrotron","","0.1007","0.0629","","","0.1555","0.1792","","","","","","1.041","","","","has coordinates,has disorder","178825","2020-10-21","18:00:00",""
"4107933","4.1946","0.0006","4.1946","0.0006","19.522","0.004","90","","90","","90","","343.48","0.1","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Ba2 F2 Fe2 O Se2 -","- Ba2 F2 Fe2 O Se2 -","- Ba4 F4 Fe4 O2 Se4 -","2","0.0625","","Houria Kabbour; Etienne Janod; Benoît Corraze; Michel Danot; Changhoon Lee; Myung-Hwan Whangbo; Laurent Cario","Structure and Magnetic Properties of Oxychalcogenides A~2~F~2~Fe~2~OQ~2 (A = Sr, Ba; Q = S, Se) with Fe2O Square Planar Layers Representing an Antiferromagnetic Checkerboard Spin Lattice","Journal of the American Chemical Society","2008","130","","8261","8270","10.1021/ja711139g","","","0.71073","MoKα","","0.0233","0.0196","","","0.0421","0.0436","","","","","","1.15","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107934","4.04","0.0006","4.04","0.0006","17.998","0.004","90","","90","","90","","293.76","0.09","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- F2 Fe2 O S2 Sr2 -","- F2 Fe2 O S2 Sr2 -","- F4 Fe4 O2 S4 Sr4 -","2","0.0625","","Houria Kabbour; Etienne Janod; Benoît Corraze; Michel Danot; Changhoon Lee; Myung-Hwan Whangbo; Laurent Cario","Structure and Magnetic Properties of Oxychalcogenides A~2~F~2~Fe~2~OQ~2 (A = Sr, Ba; Q = S, Se) with Fe2O Square Planar Layers Representing an Antiferromagnetic Checkerboard Spin Lattice","Journal of the American Chemical Society","2008","130","","8261","8270","10.1021/ja711139g","","","0.71073","MoKα","","0.0186","0.0173","","","0.0401","0.0412","","","","","","1.179","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107935","4.12377","0.0001","4.12377","0.0001","19.0885","0.0005","90","","90","","90","","324.609","0.014","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Ba2 F2 Fe2 O S2 -","- Ba2 F2 Fe2 O S2 -","- Ba4 F4 Fe4 O2 S4 -","2","0.0625","","Houria Kabbour; Etienne Janod; Benoît Corraze; Michel Danot; Changhoon Lee; Myung-Hwan Whangbo; Laurent Cario","Structure and Magnetic Properties of Oxychalcogenides A2F2Fe2OQ2 (A = Sr, Ba; Q = S, Se) with Fe2O Square Planar Layers Representing an Antiferromagnetic Checkerboard Spin Lattice","Journal of the American Chemical Society","2008","130","","8261","8270","10.1021/ja711139g","powder diffraction","","","X-ray","","","","","","","","","5.8218","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107936","4.09255","0.00007","4.09255","0.00007","18.5801","0.0003","90","","90","","90","","311.197","0.009","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- F2 Fe2 O S2 Sr2 -","- F2 Fe2 O Se2 Sr2 -","- F4 Fe4 O2 Se4 Sr4 -","2","0.0625","","Houria Kabbour; Etienne Janod; Benoît Corraze; Michel Danot; Changhoon Lee; Myung-Hwan Whangbo; Laurent Cario","Structure and Magnetic Properties of Oxychalcogenides A2F2Fe2OQ2 (A = Sr, Ba; Q = S, Se) with Fe2O Square Planar Layers Representing an Antiferromagnetic Checkerboard Spin Lattice","Journal of the American Chemical Society","2008","130","","8261","8270","10.1021/ja711139g","powder diffraction","","","X-ray","","","","","","","","","3.9622","","","","","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107937","10.8032","0.001","12.9035","0.0011","16.2127","0.0014","90","","91.421","0.002","90","","2259.3","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6 - Ni(dippe)(3-pentenenitrile)","","- C19 H39 N Ni P2 -","- C19 H39 N Ni P2 -","- C76 H156 N4 Ni4 P8 -","4","1","","Brett D. Swartz; Nicole M. Reinartz; William W. Brennessel; Juventino J. García; William D. Jones","Solvent Effects and Activation Parameters in the Competitive Cleavage of C-CN and C-H Bonds in 2-Methyl-3-Butenenitrile Using [(dippe)NiH]2","Journal of the American Chemical Society","2008","130","","8548","8554","10.1021/ja8000216","","","0.71073","MoKα","","0.0529","0.0403","","","0.0868","0.091","","","","","","1.079","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107938","17.418","0.004","62.197","0.014","14.634","0.003","90","","90","","90","","15854","6","100","0.1","100","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","jonbds05","10, [Ni(dippe)(2-cyanobutenyl)]+ BPh4-","","- C43 H58 B N Ni P2 -","- C43 H58 B N Ni P2 -","- C688 H928 B16 N16 Ni16 P32 -","16","1","","Brett D. Swartz; Nicole M. Reinartz; William W. Brennessel; Juventino J. García; William D. Jones","Solvent Effects and Activation Parameters in the Competitive Cleavage of C-CN and C-H Bonds in 2-Methyl-3-Butenenitrile Using [(dippe)NiH]2","Journal of the American Chemical Society","2008","130","","8548","8554","10.1021/ja8000216","","","0.71073","MoKα","","0.1465","0.0678","","","0.1067","0.1299","","","","","","1.002","","","","has coordinates,has disorder","178825","2020-10-21","18:00:00",""
"4107939","9.672","0.003","11.878","0.004","16.649","0.005","89.894","0.006","80.073","0.006","73.924","0.006","1808.3","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H30 N4 -","- C52 H30 N4 -","- C104 H60 N8 -","2","1","","Baoxiang Gao; Ming Wang; Yanxiang Cheng; Lixiang Wang; Xiabin Jing; Fosong Wang","Pyrazine-Containing Acene-Type Molecular Ribbons with up to 16 Rectilinearly Arranged Fused Aromatic Rings","Journal of the American Chemical Society","2008","130","","8297","8306","10.1021/ja800311a","","","0.71073","MoKα","","0.2117","0.0654","","","0.0668","0.0941","","","","","","0.876","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107940","4.919","0.003","7.856","0.008","18.784","0.007","90","","91.27","0.04","90","","725.7","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","2-Acetamido-2-deoxyglucosylchloroacetamide monohydrate","N-(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)chloroacetamide monohydrate","","- C10 H19 Cl N2 O7 -","- C10 H19 Cl N2 O7 -","- C20 H38 Cl2 N4 O14 -","2","1","","Mohamed Mohamed Naseer Ali; Udayanath Aich; Babu Varghese; Anne Imberty","Conformational Preferences of the Aglycon Moiety in Models and Analogs of GlcNAc-Asn Linkage: Crystal Structures and ab Initio Quantum Chemical Calculations of N-(β-d-Glycopyranosyl)haloacetamides","Journal of the American Chemical Society","2008","130","","8317","8325","10.1021/ja800335m","","","0.71073","MoKα","","0.0803","0.0512","","","0.1377","0.1842","","","","","","1.129","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107941","6.3408","0.0019","8.5671","0.0008","19.352","0.003","90","","90","","90","","1051.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Mannosylchloroacetamide","N-(Beta-D-mannopyranosyl)chloroacetamide","","- C8 H14 Cl N O6 -","- C8 H14 Cl N O6 -","- C32 H56 Cl4 N4 O24 -","4","1","","Mohamed Mohamed Naseer Ali; Udayanath Aich; Babu Varghese; Anne Imberty","Conformational Preferences of the Aglycon Moiety in Models and Analogs of GlcNAc-Asn Linkage: Crystal Structures and ab Initio Quantum Chemical Calculations of N-(β-d-Glycopyranosyl)haloacetamides","Journal of the American Chemical Society","2008","130","","8317","8325","10.1021/ja800335m","","","0.71073","MoKα","","0.0458","0.0398","","","0.1002","0.1078","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107942","15.9014","0.001","15.9014","0.001","4.0161","0.0005","90","","90","","90","","1015.49","0.16","100","2","100","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C7 H5 Cl N3 S2 Se2 -","- C7 H5 Cl N3 S2 Se2 -","- C28 H20 Cl4 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Robert W. Reed; Daniel J. T. Myles; Paul A. Dube; Richard T. Oakley","Enhanced Conductivity and Magnetic Ordering in Isostructural Heavy Atom Radicals","Journal of the American Chemical Society","2008","130","","8414","8425","10.1021/ja801070d","","","0.71073","MoKα","","0.0426","0.0371","","","0.0717","0.0732","","","","","","1.053","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107943","16.0565","0.0004","16.0565","0.0004","4.1599","0.0002","90","","90","","90","","1072.47","0.06","295","2","295","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C7 H5 Cl N3 S2 Se2 -","- C7 H5 Cl N3 S2 Se2 -","- C28 H20 Cl4 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Robert W. Reed; Daniel J. T. Myles; Paul A. Dube; Richard T. Oakley","Enhanced Conductivity and Magnetic Ordering in Isostructural Heavy Atom Radicals","Journal of the American Chemical Society","2008","130","","8414","8425","10.1021/ja801070d","","","0.71073","MoKα","","0.0445","0.0402","","","0.0822","0.0838","","","","","","1.131","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107944","16.0331","0.0006","16.0331","0.0006","4.092","0.0003","90","","90","","90","","1051.89","0.1","100","2","100","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C7 H5 Cl N3 S2 Se2 -","- C7 H5 Cl N3 S2 Se2 -","- C28 H20 Cl4 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Robert W. Reed; Daniel J. T. Myles; Paul A. Dube; Richard T. Oakley","Enhanced Conductivity and Magnetic Ordering in Isostructural Heavy Atom Radicals","Journal of the American Chemical Society","2008","130","","8414","8425","10.1021/ja801070d","","","","MoKα","","0.0201","0.0192","","","0.0468","0.0471","","","","","","0.981","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107945","16.1801","0.0012","16.1801","0.0012","4.1264","0.0006","90","","90","","90","","1080.27","0.19","100","2","100","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Robert W. Reed; Daniel J. T. Myles; Paul A. Dube; Richard T. Oakley","Enhanced Conductivity and Magnetic Ordering in Isostructural Heavy Atom Radicals","Journal of the American Chemical Society","2008","130","","8414","8425","10.1021/ja801070d","","","0.71073","MoKα","","0.0411","0.0376","","","0.08","0.0813","","","","","","1.164","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107946","16.2708","0.0005","16.2708","0.0005","4.172","0.0003","90","","90","","90","","1104.49","0.09","296","2","296","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Robert W. Reed; Daniel J. T. Myles; Paul A. Dube; Richard T. Oakley","Enhanced Conductivity and Magnetic Ordering in Isostructural Heavy Atom Radicals","Journal of the American Chemical Society","2008","130","","8414","8425","10.1021/ja801070d","","","0.71073","MoKα","","0.0396","0.0374","","","0.0635","0.064","","","","","","1.211","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107947","15.7927","0.0003","15.7927","0.0003","4.031","0.0002","90","","90","","90","","1005.37","0.06","100","2","100","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C7 H5 Cl N3 S4 -","- C7 H5 Cl N3 S4 -","- C28 H20 Cl4 N12 S16 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Robert W. Reed; Daniel J. T. Myles; Paul A. Dube; Richard T. Oakley","Enhanced Conductivity and Magnetic Ordering in Isostructural Heavy Atom Radicals","Journal of the American Chemical Society","2008","130","","8414","8425","10.1021/ja801070d","","","0.71073","MoKα","","0.0184","0.0177","","","0.0387","0.0391","","","","","","1.114","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107948","13.5516","0.0005","11.7085","0.0004","16.9923","0.0006","90","","90","","90","","2696.15","0.17","180","","180","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C19 H18 Cl4 F3 N4 O5 Rh S -","- C19 H18 Cl4 F3 N4 O5 Rh S -","- C76 H72 Cl16 F12 N16 O20 Rh4 S4 -","4","0.5","","Yves Canac; Christine Lepetit; Mohammed Abdalilah; Carine Duhayon; Remi Chauvin","Diaminocarbene and Phosphonium Ylide Ligands: A Systematic Comparison of their Donor Character","Journal of the American Chemical Society","2008","130","","8406","8413","10.1021/ja801159v","","","0.71073","MoKα","","0.0932","0.0285","","0.064","0.0302","0.0302","","","","","","1.1211","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107949","10.9475","0.0009","15.1007","0.001","16.0585","0.0013","90","","91.497","0.01","90","","2653.8","0.4","180","","180","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 F3 N2 O5 P Rh S -","- C26 H21 F3 N2 O5 P Rh S -","- C104 H84 F12 N8 O20 P4 Rh4 S4 -","4","1","","Yves Canac; Christine Lepetit; Mohammed Abdalilah; Carine Duhayon; Remi Chauvin","Diaminocarbene and Phosphonium Ylide Ligands: A Systematic Comparison of their Donor Character","Journal of the American Chemical Society","2008","130","","8406","8413","10.1021/ja801159v","","","0.71073","MoKα","","0.1002","0.0688","","0.0912","0.0823","0.0823","","","","","","1.1161","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107950","9.8451","0.0008","11.9474","0.0012","16.0624","0.0015","82.894","0.012","84.034","0.011","78.412","0.011","1830.5","0.3","180","","180","","","","","","","","","9","P -1","-P 1","2","","","","- C32 H34 Cl F3 N2 O3 P Rh S -","- C32 H34 Cl F3 N2 O3 P Rh S -","- C64 H68 Cl2 F6 N4 O6 P2 Rh2 S2 -","2","1","","Yves Canac; Christine Lepetit; Mohammed Abdalilah; Carine Duhayon; Remi Chauvin","Diaminocarbene and Phosphonium Ylide Ligands: A Systematic Comparison of their Donor Character","Journal of the American Chemical Society","2008","130","","8406","8413","10.1021/ja801159v","","","0.71073","MoKα","","0.0732","0.0417","","0.0653","0.0462","0.0462","","","","","","1.0842","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107951","10.3396","0.0013","12.9085","0.0016","11.7145","0.0014","90","","90","","90","","1563.5","0.3","163","2","163","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Y -","- C18 H23 Y -","- C72 H92 Y4 -","4","0.5","","William J. Evans; Benjamin M. Schmiege; Sara E. Lorenz; Kevin A. Miller; Timothy M. Champagne; Joseph W. Ziller; Antonio G. DiPasquale; Arnold L. Rheingold","Reductive Reactivity of the Organolanthanide Hydrides, [(C5Me5)2LnH]x, Leads to an sa-Allyl Cyclopentadienyl (η5-C5Me4CH2-C5Me4CH2-η3)2- and Trianionic Cyclooctatetraenyl (C8H7)3- Ligands","Journal of the American Chemical Society","2008","130","","8555","8563","10.1021/ja8011726","","","0.71073","MoKα","","0.0378","0.0298","","","0.0694","0.073","","","","","","1.085","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107952","9.2799","0.001","11.1103","0.0012","12.6823","0.0014","83.277","0.002","78.81","0.002","83.363","0.002","1268.1","0.2","163","2","163","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H43 Y -","- C30 H43 Y -","- C60 H86 Y2 -","2","1","","William J. Evans; Benjamin M. Schmiege; Sara E. Lorenz; Kevin A. Miller; Timothy M. Champagne; Joseph W. Ziller; Antonio G. DiPasquale; Arnold L. Rheingold","Reductive Reactivity of the Organolanthanide Hydrides, [(C5Me5)2LnH]x, Leads to an sa-Allyl Cyclopentadienyl (η5-C5Me4CH2-C5Me4CH2-η3)2- and Trianionic Cyclooctatetraenyl (C8H7)3- Ligands","Journal of the American Chemical Society","2008","130","","8555","8563","10.1021/ja8011726","","","0.71073","MoKα","","0.0304","0.0256","","","0.0635","0.0656","","","","","","1.058","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107953","8.42","0.003","16.807","0.005","24.239","0.008","90","","93.001","0.005","90","","3425","2","208","2","208","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H52 Y2 -","- C38 H52 Y2 -","- C152 H208 Y8 -","4","1","","William J. Evans; Benjamin M. Schmiege; Sara E. Lorenz; Kevin A. Miller; Timothy M. Champagne; Joseph W. Ziller; Antonio G. DiPasquale; Arnold L. Rheingold","Reductive Reactivity of the Organolanthanide Hydrides, [(C5Me5)2LnH]x, Leads to an sa-Allyl Cyclopentadienyl (η5-C5Me4CH2-C5Me4CH2-η3)2- and Trianionic Cyclooctatetraenyl (C8H7)3- Ligands","Journal of the American Chemical Society","2008","130","","8555","8563","10.1021/ja8011726","","","0.71069","MoKα","","0.1052","0.0524","","","0.1109","0.1285","","","","","","1.031","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107954","10.392","0.001","10.6563","0.0011","14.8522","0.0015","110.948","0.001","98.645","0.002","95.886","0.002","1496.7","0.3","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H86 La2 S2 -","- C66 H86 La2 S2 -","- C66 H86 La2 S2 -","1","0.5","","William J. Evans; Benjamin M. Schmiege; Sara E. Lorenz; Kevin A. Miller; Timothy M. Champagne; Joseph W. Ziller; Antonio G. DiPasquale; Arnold L. Rheingold","Reductive Reactivity of the Organolanthanide Hydrides, [(C5Me5)2LnH]x, Leads to an sa-Allyl Cyclopentadienyl (η5-C5Me4CH2-C5Me4CH2-η3)2- and Trianionic Cyclooctatetraenyl (C8H7)3- Ligands","Journal of the American Chemical Society","2008","130","","8555","8563","10.1021/ja8011726","","","0.71073","MoKα","","0.027","0.0245","","","0.0627","0.0648","","","","","","1.055","","","","has coordinates,has disorder","178825","2020-10-21","18:00:00",""
"4107955","10.3399","0.0011","10.4821","0.0011","14.6925","0.0016","69.574","0.002","76.507","0.002","83.37","0.002","1450.1","0.3","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H86 S2 Y2 -","- C66 H86 S2 Y2 -","- C66 H86 S2 Y2 -","1","0.5","","William J. Evans; Benjamin M. Schmiege; Sara E. Lorenz; Kevin A. Miller; Timothy M. Champagne; Joseph W. Ziller; Antonio G. DiPasquale; Arnold L. Rheingold","Reductive Reactivity of the Organolanthanide Hydrides, [(C5Me5)2LnH]x, Leads to an sa-Allyl Cyclopentadienyl (η5-C5Me4CH2-C5Me4CH2-η3)2- and Trianionic Cyclooctatetraenyl (C8H7)3- Ligands","Journal of the American Chemical Society","2008","130","","8555","8563","10.1021/ja8011726","","","0.71073","MoKα","","0.0459","0.039","","","0.0949","0.0982","","","","","","1.057","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107956","8.8769","0.0003","12.8191","0.0004","29.5359","0.0009","90","","90","","90","","3361","0.19","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CB2.5CF3COOH","CB2.5CF3COOH","","- C20 H17 F15 N8 O14 -","- C20.002 H17 F15.003 N8 O14.002 -","- C80.008 H68 F60.012 N32 O56.008 -","4","1","","Wei-Hao Huang; Peter Y. Zavalij; Lyle Isaacs","Cucurbit[n]uril Formation Proceeds by Step-Growth Cyclo-oligomerization","Journal of the American Chemical Society","2008","130","","8446","8454","10.1021/ja8013693","","","0.71073","MoKα","","0.0458","0.0384","","","0.078","0.0816","","","","","","1","","","","has coordinates,has disorder","178825","2020-10-21","18:00:00",""
"4107957","18.6306","0.0008","18.6306","0.0008","15.2173","0.0012","90","","90","","90","","5281.9","0.5","220","2","220","2","","","","","","","","6","P 42/m","-P 4c","84","Na*2CB4*H2O*7TFA","Na*2CB4*H2O*7TFA","","- C58 H56 F21 N32 Na O31 -","- C52 H48 F12 N32 Na O25 -","- C104 H96 F24 N64 Na2 O50 -","2","0.25","","Wei-Hao Huang; Peter Y. Zavalij; Lyle Isaacs","Cucurbit[n]uril Formation Proceeds by Step-Growth Cyclo-oligomerization","Journal of the American Chemical Society","2008","130","","8446","8454","10.1021/ja8013693","","","0.71073","MoKα","","0.0898","0.0779","","","0.1813","0.1867","","","","","","1.001","","","","has coordinates,has disorder","178825","2020-10-21","18:00:00",""
"4107958","11.662","0.004","33.042","0.011","14.952","0.005","90","","90","","90","","5762","3","220","2","220","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[CB5<0.85TFA]*4.6TFA*4H2O","Semi-circle CB5 trifluoroacetic acid hydrate, CB5*5.45TFA*4H2O","","- C38.9 H38 F16.35 N20 O24.9 -","- C29.7 H30 F2.55 N20 O11.7 -","- C118.8 H120 F10.2 N80 O46.8 -","4","0.5","","Wei-Hao Huang; Peter Y. Zavalij; Lyle Isaacs","Cucurbit[n]uril Formation Proceeds by Step-Growth Cyclo-oligomerization","Journal of the American Chemical Society","2008","130","","8446","8454","10.1021/ja8013693","","","0.71073","MoKα","","0.1051","0.0854","","","0.1724","0.1791","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107959","24.119","0.002","12.8676","0.0013","31.795","0.003","90","","90","","90","","9867.7","1.6","220","2","220","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CB6 hydrate","CB6 hydrate","","- C34 H60 Cl2 N24 O23 -","- C34 H36 N24 O12 -","- C272 H288 N192 O96 -","8","1","","Wei-Hao Huang; Peter Y. Zavalij; Lyle Isaacs","Cucurbit[n]uril Formation Proceeds by Step-Growth Cyclo-oligomerization","Journal of the American Chemical Society","2008","130","","8446","8454","10.1021/ja8013693","","","0.71073","MoKα","","0.0926","0.0565","","","0.1146","0.125","","","","","","1","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107960","9.9594","0.0007","12.2807","0.0008","31.266","0.002","90","","90","","90","","3824.1","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H56 Cl4 O3 Sn -","- C37 H56 Cl4 O3 Sn -","- C148 H224 Cl16 O12 Sn4 -","4","1","","Vivek Rauniyar; Huimin Zhai; Dennis G. Hall","Catalytic Enantioselective Allyl- and Crotylboration of Aldehydes Using Chiral Diol.SnCl4 Complexes. Optimization, Substrate Scope and Mechanistic Investigations","Journal of the American Chemical Society","2008","130","","8481","8490","10.1021/ja8016076","","","0.71073","MoKα","","0.035","0.0316","","","0.081","0.0827","","","","","","1.092","","","","has coordinates,has disorder","178825","2020-10-21","18:00:00",""
"4107961","10.2147","0.0009","13.9642","0.0012","15.8484","0.0014","90","","90","","90","","2260.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O2 S -","- C26 H21 N3 O2 S -","- C104 H84 N12 O8 S4 -","4","1","","Chao Wang; Jon A. Tunge","Asymmetric Cycloadditions of Palladium-Polarized Aza-o-xylylenes","Journal of the American Chemical Society","2008","130","","8118","8119","10.1021/ja801742h","","","0.71073","MoKα","","0.0602","0.0528","","","0.1078","0.1109","","","","","","1.043","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107962","25.7228","0.0006","25.7228","0.0006","25.7228","0.0006","90","","90","","90","","17019.8","0.7","200","2","200","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","IRMOF-3-AM6","","","- C42.9 H47.4 N3 O15.7 Zn4 -","- C24 O13 Zn4 -","- C192 O104 Zn32 -","8","0.0416667","","Kristine K. Tanabe; Zhenqiang Wang; Seth M. Cohen","Systematic Functionalization of a Metal-Organic Framework via a Postsynthetic Modification Approach","Journal of the American Chemical Society","2008","130","","8508","8517","10.1021/ja801848j","","","0.71073","MoKα","","0.0395","0.0349","","","0.1047","0.1081","","","","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107963","25.7691","0.0017","25.7691","0.0017","25.7691","0.0017","90","","90","","90","","17112","2","200","2","200","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","IRMOF-3-AM13","","","- C40.8 H46.2 N3 O14.2 Zn4 -","- C24 O13 Zn4 -","- C192 O104 Zn32 -","8","0.0416667","","Kristine K. Tanabe; Zhenqiang Wang; Seth M. Cohen","Systematic Functionalization of a Metal-Organic Framework via a Postsynthetic Modification Approach","Journal of the American Chemical Society","2008","130","","8508","8517","10.1021/ja801848j","","","0.71073","MoKα","","0.0407","0.0368","","","0.114","0.1207","","","","","","1.165","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107964","25.7786","0.0007","25.7786","0.0007","25.7786","0.0007","90","","90","","90","","17130.8","0.8","200","2","200","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","IRMOF-3-AM19","","","- C27.9 H22.41 N3 O13.21 Zn4 -","- C24 O13 Zn4 -","- C192 O104 Zn32 -","8","0.0416667","","Kristine K. Tanabe; Zhenqiang Wang; Seth M. Cohen","Systematic Functionalization of a Metal-Organic Framework via a Postsynthetic Modification Approach","Journal of the American Chemical Society","2008","130","","8508","8517","10.1021/ja801848j","","","0.71073","MoKα","","0.0405","0.0351","","","0.1035","0.1078","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107965","25.7386","0.0006","25.7386","0.0006","25.7386","0.0006","90","","90","","90","","17051.2","0.7","200","2","200","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","IRMOF-3-AM4","","","- C39 H39 N3 O16 Zn4 -","- C24 O13 Zn4 -","- C192 O104 Zn32 -","8","0.0416667","","Kristine K. Tanabe; Zhenqiang Wang; Seth M. Cohen","Systematic Functionalization of a Metal-Organic Framework via a Postsynthetic Modification Approach","Journal of the American Chemical Society","2008","130","","8508","8517","10.1021/ja801848j","","","0.71073","MoKα","","0.0387","0.0304","","","0.0814","0.0849","","","","","","0.918","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107966","10.889","0.0019","16.683","0.002","19.004","0.003","90","","98.215","0.003","90","","3416.9","0.9","93.15","","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 Cl6 O8 P Pd S -","- C28 H29 Cl6 O8 P Pd S -","- C112 H116 Cl24 O32 P4 Pd4 S4 -","4","1","","Akifumi Nakamura; Kagehiro Munakata; Takuya Kochi; Kyoko Nozaki","Regiocontrolled Copolymerization of Methyl Acrylate with Carbon Monoxide","Journal of the American Chemical Society","2008","130","","8128","8129","10.1021/ja802161n","","","0.71075","MoKα","","0.1028","0.058","","","0.0932","0.1125","","","","","","1.112","","","","has coordinates,has disorder","178825","2020-10-21","18:00:00",""
"4107967","9.3505","0.0003","16.1767","0.0006","19.9603","0.0007","90","","90","","90","","3019.2","0.18","140","2","140","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C32 H40 Li2 N6 -","- C32 H40 Li2 N6 -","- C128 H160 Li8 N24 -","4","0.5","","Zsolt Csok; Oleg Vechorkin; Seth B. Harkins; Rosario Scopelliti; Xile Hu","Nickel Complexes of a Pincer NN2 Ligand: Multiple Carbon-Chloride Activation of CH2Cl2 and CHCl3 Leads to Selective Carbon-Carbon Bond Formation","Journal of the American Chemical Society","2008","130","","8156","8157","10.1021/ja8025938","","","0.71073","MoKα","","0.0713","0.0476","","","0.1062","0.1251","","","","","","1.128","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107968","31.1523","0.0006","9.2463","0.0002","11.0586","0.0002","90","","100.598","0.002","90","","3131.02","0.11","140","2","140","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H20 Cl N3 Ni -","- C16 H20 Cl N3 Ni -","- C128 H160 Cl8 N24 Ni8 -","8","2","","Zsolt Csok; Oleg Vechorkin; Seth B. Harkins; Rosario Scopelliti; Xile Hu","Nickel Complexes of a Pincer NN2 Ligand: Multiple Carbon-Chloride Activation of CH2Cl2 and CHCl3 Leads to Selective Carbon-Carbon Bond Formation","Journal of the American Chemical Society","2008","130","","8156","8157","10.1021/ja8025938","","","0.71073","MoKα","","0.0269","0.0223","","","0.0541","0.0578","","","","","","1.065","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107969","8.6148","0.0003","14.4586","0.0005","13.8551","0.0004","90","","104.929","0.004","90","","1667.51","0.1","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N3 Ni -","- C18 H25 N3 Ni -","- C72 H100 N12 Ni4 -","4","1","","Zsolt Csok; Oleg Vechorkin; Seth B. Harkins; Rosario Scopelliti; Xile Hu","Nickel Complexes of a Pincer NN2 Ligand: Multiple Carbon-Chloride Activation of CH2Cl2 and CHCl3 Leads to Selective Carbon-Carbon Bond Formation","Journal of the American Chemical Society","2008","130","","8156","8157","10.1021/ja8025938","","","0.71073","MoKα","","0.0546","0.0345","","","0.0739","0.083","","","","","","1.045","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107970","13.52","0.013","7.298","0.003","20.276","0.013","90","","106.74","0.06","90","","1916","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N3 Ni -","- C22 H25 N3 Ni -","- C88 H100 N12 Ni4 -","4","1","","Zsolt Csok; Oleg Vechorkin; Seth B. Harkins; Rosario Scopelliti; Xile Hu","Nickel Complexes of a Pincer NN2 Ligand: Multiple Carbon-Chloride Activation of CH2Cl2 and CHCl3 Leads to Selective Carbon-Carbon Bond Formation","Journal of the American Chemical Society","2008","130","","8156","8157","10.1021/ja8025938","","","0.71073","MoKα","","0.1861","0.1586","","","0.3969","0.4088","","","","","","1.201","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107971","9.5968","0.0003","17.1226","0.0004","10.9594","0.0003","90","","112.874","0.004","90","","1659.26","0.09","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 I N3 Ni -","- C16 H20 I N3 Ni -","- C64 H80 I4 N12 Ni4 -","4","1","","Zsolt Csok; Oleg Vechorkin; Seth B. Harkins; Rosario Scopelliti; Xile Hu","Nickel Complexes of a Pincer NN2 Ligand: Multiple Carbon-Chloride Activation of CH2Cl2 and CHCl3 Leads to Selective Carbon-Carbon Bond Formation","Journal of the American Chemical Society","2008","130","","8156","8157","10.1021/ja8025938","","","0.71073","MoKα","","0.0306","0.0243","","","0.0578","0.0624","","","","","","1.069","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107972","19.2325","0.0004","9.97896","0.00018","31.6956","0.0006","90","","106.072","0.0007","90","","5845.3","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C312 H276 N12 O24 -","12","6","","Yuki Nishioka; Takumi Yamaguchi; Masaki Kawano; Makoto Fujita","Asymmetric [2 + 2] Olefin Cross Photoaddition in a Self-Assembled Host with Remote Chiral Auxiliaries","Journal of the American Chemical Society","2008","130","","8160","8161","10.1021/ja802818t","","","1.54186","CuKα","","0.0569","0.0384","","","0.0828","0.0998","","","","","","1.064","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107973","4.229","0.0008","14.112","0.003","23.312","0.005","90","","90","","90","","1391.3","0.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H6 F3 I2 N -","- C13 H6 F3 I2 N -","- C52 H24 F12 I8 N4 -","4","1","","Tanya Shirman; Dalia Freeman; Yael Diskin Posner; Isai Feldman; Antonio Facchetti; Milko E. van der Boom","Assembly of Crystalline Halogen-Bonded Materials by Physical Vapor Deposition","Journal of the American Chemical Society","2008","130","","8162","8163","10.1021/ja8029784","","","0.71073","MoKα","","0.0382","0.0294","","","0.0588","0.0613","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107974","12.3527","0.0005","15.9319","0.0008","9.9546","0.0005","90","","90","","90","","1959.09","0.16","100","","100","","","","","","","","pentane","5","P n m a","-P 2ac 2n","62","","","","- C13 H35 Fe Li3 O2 -","- C13 H35 Fe Li3 O2 -","- C52 H140 Fe4 Li12 O8 -","4","0.5","","Alois Fürstner; Rubén Martin; Helga Krause; Günter Seidel; Richard Goddard; Christian W. Lehmann","Preparation, Structure, and Reactivity of Nonstabilized Organoiron Compounds. Implications for Iron-Catalyzed Cross Coupling Reactions","Journal of the American Chemical Society","2008","130","","8773","8787","10.1021/ja801466t","","","0.71073","MoKα","","0.0835","0.0497","","","0.1004","0.1138","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107975","9.7659","0.0003","9.9967","0.0002","18.5066","0.0005","104.658","0.002","94.97","0.001","98.647","0.001","1713.32","0.08","100","","100","","","","","","","","diethylether","5","P -1","-P 1","2","","catena(tetraphenyliron(ii)-bis(diethylether)lithium-1,4-dioxane-lithium)","","- C36 H48 Fe Li2 O4 -","- C36 H48 Fe Li2 O4 -","- C72 H96 Fe2 Li4 O8 -","2","1","","Alois Fürstner; Rubén Martin; Helga Krause; Günter Seidel; Richard Goddard; Christian W. Lehmann","Preparation, Structure, and Reactivity of Nonstabilized Organoiron Compounds. Implications for Iron-Catalyzed Cross Coupling Reactions","Journal of the American Chemical Society","2008","130","","8773","8787","10.1021/ja801466t","","","0.71073","MoKα","","0.1273","0.0792","","","0.1553","0.1788","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107976","12.5561","0.0005","7.3323","0.0003","14.7157","0.0006","90","","108.352","0.001","90","","1285.9","0.09","100","","100","","","","","","","","pentane","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 Fe -","- C14 H23 Fe -","- C56 H92 Fe4 -","4","1","","Alois Fürstner; Rubén Martin; Helga Krause; Günter Seidel; Richard Goddard; Christian W. Lehmann","Preparation, Structure, and Reactivity of Nonstabilized Organoiron Compounds. Implications for Iron-Catalyzed Cross Coupling Reactions","Journal of the American Chemical Society","2008","130","","8773","8787","10.1021/ja801466t","","","0.71073","MoKα","","0.0419","0.0297","","","0.0685","0.0731","","","","","","1.002","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107977","15.4528","0.0002","7.3077","0.0001","11.5264","0.0002","90","","103.277","0.001","90","","1266.82","0.03","100","","100","","","","","","","","diethylether","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Fe -","- C15 H22 Fe -","- C60 H88 Fe4 -","4","1","","Alois Fürstner; Rubén Martin; Helga Krause; Günter Seidel; Richard Goddard; Christian W. Lehmann","Preparation, Structure, and Reactivity of Nonstabilized Organoiron Compounds. Implications for Iron-Catalyzed Cross Coupling Reactions","Journal of the American Chemical Society","2008","130","","8773","8787","10.1021/ja801466t","","","0.71073","MoKα","","0.0299","0.0253","","","0.0647","0.0675","","","","","","0.994","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107978","27.265","0.006","8.1454","0.0016","16.02","0.003","90","","90","","90","","3557.8","1.2","100","","100","","","","","","","","see paper","4","P n a 21","P 2c -2n","33","","","","- C17 H28 Fe P2 -","- C17 H28 Fe P2 -","- C136 H224 Fe8 P16 -","8","2","","Alois Fürstner; Rubén Martin; Helga Krause; Günter Seidel; Richard Goddard; Christian W. Lehmann","Preparation, Structure, and Reactivity of Nonstabilized Organoiron Compounds. Implications for Iron-Catalyzed Cross Coupling Reactions","Journal of the American Chemical Society","2008","130","","8773","8787","10.1021/ja801466t","","","0.71073","MoKα","","0.0612","0.0533","","","0.1521","0.1594","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107979","6.7149","0.0006","11.2061","0.0008","8.4971","0.0008","90","","100.748","0.003","90","","628.17","0.09","100","","100","","","","","","","","Ether","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H20 Cl Fe -","- C13 H20 Cl Fe -","- C26 H40 Cl2 Fe2 -","2","0.5","","Alois Fürstner; Rubén Martin; Helga Krause; Günter Seidel; Richard Goddard; Christian W. Lehmann","Preparation, Structure, and Reactivity of Nonstabilized Organoiron Compounds. Implications for Iron-Catalyzed Cross Coupling Reactions","Journal of the American Chemical Society","2008","130","","8773","8787","10.1021/ja801466t","","","0.71073","MoKα","","0.0543","0.0399","","","0.088","0.0938","","","","","","1.043","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107980","13.6935","0.0015","28.256","0.003","13.6923","0.0011","90","","90.412","0.007","90","","5297.7","0.9","100","","100","","","","","","","","pentane","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 Fe -","- C14 H22.5 Fe -","- C224 H360 Fe16 -","16","4","","Alois Fürstner; Rubén Martin; Helga Krause; Günter Seidel; Richard Goddard; Christian W. Lehmann","Preparation, Structure, and Reactivity of Nonstabilized Organoiron Compounds. Implications for Iron-Catalyzed Cross Coupling Reactions","Journal of the American Chemical Society","2008","130","","8773","8787","10.1021/ja801466t","","","0.71073","MoKα","","0.1818","0.0899","","","0.1797","0.2241","","","","","","1.021","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107981","9.6421","0.0004","10.2603","0.0004","12.2844","0.0005","75.43","0.003","75.3","0.003","89.954","0.003","1135.14","0.08","90","2","90","2","","","","","","","","6","P -1","-P 1","2","[Ru(Me~2~bpb)(NO)(OH)]^.^DMSO","","","- C22 H23 N5 O5 Ru S -","- C22 H23 N5 O5 Ru S -","- C44 H46 N10 O10 Ru2 S2 -","2","1","","Michael J. Rose; Nicole L. Fry; Rebecca Marlow; Lindsay Hinck; Pradip K. Mascharak","Sensitization of Ruthenium Nitrosyls to Visible Light via Direct Coordination of the Dye Resorufin: Trackable NO Donors for Light-Triggered NO Delivery to Cellular Targets","Journal of the American Chemical Society","2008","130","","8834","8846","10.1021/ja801823f","","","0.71073","MoKα","","0.0213","0.0199","","","0.0522","0.0532","","","","","","1.054","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107982","10.0845","0.0005","10.7797","0.0006","15.0195","0.0008","76.057","0.001","71.396","0.001","69.137","0.001","1430.94","0.13","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N6 O7 Ru -","- C32 H24 N6 O7 Ru -","- C64 H48 N12 O14 Ru2 -","2","1","","Michael J. Rose; Nicole L. Fry; Rebecca Marlow; Lindsay Hinck; Pradip K. Mascharak","Sensitization of Ruthenium Nitrosyls to Visible Light via Direct Coordination of the Dye Resorufin: Trackable NO Donors for Light-Triggered NO Delivery to Cellular Targets","Journal of the American Chemical Society","2008","130","","8834","8846","10.1021/ja801823f","","","0.71073","MoKα","","0.0499","0.0348","","","0.0775","0.0839","","","","","","0.954","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107983","12.3639","0.0014","17.278","0.002","18.019","0.002","90","","113.317","0.001","90","","3534.9","0.7","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H27 Cl3 N6 O6 Ru -","- C41 H27 Cl3 N6 O6 Ru -","- C164 H108 Cl12 N24 O24 Ru4 -","4","1","","Michael J. Rose; Nicole L. Fry; Rebecca Marlow; Lindsay Hinck; Pradip K. Mascharak","Sensitization of Ruthenium Nitrosyls to Visible Light via Direct Coordination of the Dye Resorufin: Trackable NO Donors for Light-Triggered NO Delivery to Cellular Targets","Journal of the American Chemical Society","2008","130","","8834","8846","10.1021/ja801823f","","","0.71073","MoKα","","0.1072","0.0874","","","0.2631","0.2811","","","","","","1.035","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107984","12.149","0.002","16.232","0.003","17.971","0.004","90","","108.15","0.03","90","","3367.6","1.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 N6 O8 Ru -","- C40 H26 N6 O8 Ru -","- C160 H104 N24 O32 Ru4 -","4","1","","Michael J. Rose; Nicole L. Fry; Rebecca Marlow; Lindsay Hinck; Pradip K. Mascharak","Sensitization of Ruthenium Nitrosyls to Visible Light via Direct Coordination of the Dye Resorufin: Trackable NO Donors for Light-Triggered NO Delivery to Cellular Targets","Journal of the American Chemical Society","2008","130","","8834","8846","10.1021/ja801823f","","","0.7749","synchrotron","","0.0442","0.0355","","","0.09","0.0955","","","","","","1.021","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107985","12.7984","0.0006","10.5976","0.0004","18.0009","0.0007","90","","97.784","0.0014","90","","2419.01","0.17","296.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 B2 F8 N3 Pd3 -","- C20 H23 B2 F8 N3 Pd3 -","- C80 H92 B8 F32 N12 Pd12 -","4","1","","Tetsuro Murahashi; Yasuhiro Hashimoto; Koji Chiyoda; Mayu Fujimoto; Tomohito Uemura; Ryou Inoue; Sensuke Ogoshi; Hideo Kurosawa","Reductive Coupling of Metal Triangles in Sandwich Complexes","Journal of the American Chemical Society","2008","130","","8586","8587","10.1021/ja802624p","","","0.71075","MoKα","","","0.0374","","","","0.0436","","","","","","4.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107986","7.2569","0.0003","21.5621","0.0008","22.2397","0.0007","90","","95.791","0.001","90","","3462.2","0.2","123.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 B2 F8 N3 Pd3 -","- C28 H41 B2 F8 N3 Pd3 -","- C112 H164 B8 F32 N12 Pd12 -","4","1","","Tetsuro Murahashi; Yasuhiro Hashimoto; Koji Chiyoda; Mayu Fujimoto; Tomohito Uemura; Ryou Inoue; Sensuke Ogoshi; Hideo Kurosawa","Reductive Coupling of Metal Triangles in Sandwich Complexes","Journal of the American Chemical Society","2008","130","","8586","8587","10.1021/ja802624p","","","0.7107","MoKα","","","0.051","","","","0.0584","","","","","","0.726","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107987","11.4203","0.0004","13.8401","0.0006","14.353","0.0006","83.787","0.0012","77.022","0.0013","71.287","0.0014","2092.19","0.15","123.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H43 B2 F8 N5 Pd6 -","- C38 H43 B2 F8 N5 Pd6 -","- C76 H86 B4 F16 N10 Pd12 -","2","1","","Tetsuro Murahashi; Yasuhiro Hashimoto; Koji Chiyoda; Mayu Fujimoto; Tomohito Uemura; Ryou Inoue; Sensuke Ogoshi; Hideo Kurosawa","Reductive Coupling of Metal Triangles in Sandwich Complexes","Journal of the American Chemical Society","2008","130","","8586","8587","10.1021/ja802624p","","","0.71075","MoKα","","","0.072","","","","0.0941","","","","","","10.799","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107988","22.759","0.006","18.556","0.005","11.696","0.003","90","","116.826","0.004","90","","4408","2","123.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H47 B2 F8 N5 Pd6 -","- C38 H44 B2 F8 N5 Pd6 -","- C152 H176 B8 F32 N20 Pd24 -","4","0.5","","Tetsuro Murahashi; Yasuhiro Hashimoto; Koji Chiyoda; Mayu Fujimoto; Tomohito Uemura; Ryou Inoue; Sensuke Ogoshi; Hideo Kurosawa","Reductive Coupling of Metal Triangles in Sandwich Complexes","Journal of the American Chemical Society","2008","130","","8586","8587","10.1021/ja802624p","","","0.7107","MoKα","","","0.0675","","","","0.095","","","","","","2.237","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107989","9.968","0.0002","14.2904","0.0003","16.9202","0.0003","90","","90","","90","","2410.23","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 N O2 P -","- C29 H30 N O2 P -","- C116 H120 N4 O8 P4 -","4","1","","Haifeng Du; Baoguo Zhao; Yian Shi","Catalytic Asymmetric Allylic and Homoallylic Diamination of Terminal Olefins via Formal C-H Activation","Journal of the American Chemical Society","2008","130","","8590","8591","10.1021/ja8027394","","","0.71073","MoKα","","0.047","0.0389","","","0.0957","0.1047","","","","","","0.65","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107990","9.6965","0.0003","15.3134","0.0004","17.21","0.0005","90","","90","","90","","2555.45","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 N O2 P -","- C29 H38 N O2 P -","- C116 H152 N4 O8 P4 -","4","1","","Haifeng Du; Baoguo Zhao; Yian Shi","Catalytic Asymmetric Allylic and Homoallylic Diamination of Terminal Olefins via Formal C-H Activation","Journal of the American Chemical Society","2008","130","","8590","8591","10.1021/ja8027394","","","0.71073","MoKα","","0.0627","0.044","","","0.1203","0.1407","","","","","","0.702","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107991","7.4727","0.0003","12.8011","0.0005","17.0678","0.0006","90","","90","","90","","1632.68","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 N2 O2 -","- C15 H28 N2 O2 -","- C60 H112 N8 O8 -","4","1","","Haifeng Du; Baoguo Zhao; Yian Shi","Catalytic Asymmetric Allylic and Homoallylic Diamination of Terminal Olefins via Formal C-H Activation","Journal of the American Chemical Society","2008","130","","8590","8591","10.1021/ja8027394","","","0.71073","MoKα","","0.0728","0.0517","","","0.1293","0.1432","","","","","","1.058","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107992","11.17","0.004","8.528","0.003","16.418","0.006","90","","94.423","0.007","90","","1559.3","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H27 Cu N2 O -","- C13 H27 Cu N2 O -","- C52 H108 Cu4 N8 O4 -","4","1","","Galyna G. Dubinina; Hideki Furutachi; David A. Vicic","Active Trifluoromethylating Agents from Well-Defined Copper(I)-CF3 Complexes","Journal of the American Chemical Society","2008","130","","8600","8601","10.1021/ja802946s","","","0.71075","MoKα","","0.082","0.0659","","","0.1536","0.1616","","","","","","1.209","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107993","10.86","0.15","14.76","0.05","20.36","0.1","90","","94.8","0.3","90","","3252","5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 Cu F3 N2 Si -","- C31 H44 Cu F3 N2 Si -","- C124 H176 Cu4 F12 N8 Si4 -","4","1","","Galyna G. Dubinina; Hideki Furutachi; David A. Vicic","Active Trifluoromethylating Agents from Well-Defined Copper(I)-CF3 Complexes","Journal of the American Chemical Society","2008","130","","8600","8601","10.1021/ja802946s","","","0.71075","MoKα","","0.0765","0.0503","","","0.1273","0.1467","","","","","","1.06","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107994","8.249","0.003","9.803","0.003","16.222","0.006","84.265","0.007","86.712","0.008","83.729","0.008","1296","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H18 B Cu F3 N2 -","- C10 H18 Cu F3 N2 -","- C40 H72 Cu4 F12 N8 -","4","2","","Galyna G. Dubinina; Hideki Furutachi; David A. Vicic","Active Trifluoromethylating Agents from Well-Defined Copper(I)-CF3 Complexes","Journal of the American Chemical Society","2008","130","","8600","8601","10.1021/ja802946s","","","0.71075","MoKα","","0.0711","0.06","","","0.1537","0.1612","","","","","","1.076","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107995","12.935","","23.242","0.0012","12.935","0.0005","90","","90","","90","","3888.7","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H28 N4 O12 Zn2 -","- C56 H28 N4 O12 Zn2 -","- C112 H56 N8 O24 Zn4 -","2","1","","Omar K. Farha; Karen L. Mulfort; Alison M. Thorsness; Joseph T. Hupp","Separating Solids: Purification of Metal-Organic Framework Materials","Journal of the American Chemical Society","2008","130","","8598","8599","10.1021/ja803097e","","","0.71073","MoKα","","0.176","0.0981","","","0.2275","0.2438","","","","","","0.779","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107996","7.215","0.0008","10.9179","0.0012","19.254","0.002","90","","94.616","0.002","90","","1511.8","0.3","90","2","90","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br N O3 -","- C16 H14 Br N O3 -","- C64 H56 Br4 N4 O12 -","4","1","","James R. Manning; Huw M. L. Davies","One-Pot Synthesis of Highly Functionalized Pyridines via a Rhodium Carbenoid Induced Ring Expansion of Isoxazoles","Journal of the American Chemical Society","2008","130","","8602","8603","10.1021/ja803139k","","","0.71073","MoKα","","0.0386","0.0338","","","0.0906","0.0937","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107997","12.2958","0.0012","12.3811","0.0012","15.1557","0.0015","75.937","0.002","68.298","0.002","74.755","0.002","2040.7","0.3","243","2","243","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H114 Mo O4 P6 S4 W -","- C70 H114 Mo O4 P6 S4 W -","- C70 H114 Mo O4 P6 S4 W -","1","0.5","","Daniela Buccella; Gerard Parkin","Mononuclear and Dinuclear Molybdenum and Tungsten Complexes of p-tert-Butyltetrathiacalix[4]arene and p-tert-Butyltetrasulfonylcalix[4]arene: Facile Cleavage of the Calixarene Ligand Framework by Nickel","Journal of the American Chemical Society","2008","130","","8617","8619","10.1021/ja803215x","","","0.71073","MoKα","","0.0299","0.0258","","","0.0671","0.0689","","","","","","1.058","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107998","13.2117","0.0007","14.3682","0.0008","18.8799","0.001","84.418","0.001","73.326","0.001","66.223","0.001","3141.1","0.3","243","2","243","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H84 O4 P3 S4 W -","- C58 H84 O4 P3 S4 W -","- C116 H168 O8 P6 S8 W2 -","2","1","","Daniela Buccella; Gerard Parkin","Mononuclear and Dinuclear Molybdenum and Tungsten Complexes of p-tert-Butyltetrathiacalix[4]arene and p-tert-Butyltetrasulfonylcalix[4]arene: Facile Cleavage of the Calixarene Ligand Framework by Nickel","Journal of the American Chemical Society","2008","130","","8617","8619","10.1021/ja803215x","","","0.71073","MoKα","","0.0309","0.0261","","","0.0676","0.0701","","","","","","1.032","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107999","12.3083","0.001","12.379","0.0011","15.1786","0.0013","76.076","0.001","68.349","0.002","74.949","0.002","2048.6","0.3","243","2","243","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H114 Mo2 O4 P6 S4 -","- C70 H114 Mo2 O4 P6 S4 -","- C70 H114 Mo2 O4 P6 S4 -","1","0.5","","Daniela Buccella; Gerard Parkin","Mononuclear and Dinuclear Molybdenum and Tungsten Complexes of p-tert-Butyltetrathiacalix[4]arene and p-tert-Butyltetrasulfonylcalix[4]arene: Facile Cleavage of the Calixarene Ligand Framework by Nickel","Journal of the American Chemical Society","2008","130","","8617","8619","10.1021/ja803215x","","","0.71073","MoKα","","0.0413","0.0347","","","0.0959","0.101","","","","","","1.019","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4108000","14.0932","0.0007","24.0931","0.0012","21.8585","0.0011","90","","105.871","0.001","90","","7139.1","0.6","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H91 Mo O12 P3 S4 -","- C49 H73 Mo O12 P3 S4 -","- C196 H292 Mo4 O48 P12 S16 -","4","1","","Daniela Buccella; Gerard Parkin","Mononuclear and Dinuclear Molybdenum and Tungsten Complexes of p-tert-Butyltetrathiacalix[4]arene and p-tert-Butyltetrasulfonylcalix[4]arene: Facile Cleavage of the Calixarene Ligand Framework by Nickel","Journal of the American Chemical Society","2008","130","","8617","8619","10.1021/ja803215x","","","0.71073","MoKα","","0.1079","0.0593","","","0.1301","0.1434","","","","","","1","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4108001","14.5295","0.0009","16.9384","0.001","17.4029","0.001","67.311","0.001","70.876","0.001","70.19","0.001","3620.8","0.4","125","2","125","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H107 Mo Ni O4 P5 S4 -","- C61 H107 Mo Ni O4 P5 S4 -","- C122 H214 Mo2 Ni2 O8 P10 S8 -","2","1","","Daniela Buccella; Gerard Parkin","Mononuclear and Dinuclear Molybdenum and Tungsten Complexes of p-tert-Butyltetrathiacalix[4]arene and p-tert-Butyltetrasulfonylcalix[4]arene: Facile Cleavage of the Calixarene Ligand Framework by Nickel","Journal of the American Chemical Society","2008","130","","8617","8619","10.1021/ja803215x","","","0.71073","MoKα","","0.1673","0.0651","","","0.098","0.1218","","","","","","1.014","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4108002","13.3569","0.0009","14.1906","0.001","17.3759","0.0012","92.013","0.001","94.763","0.001","100.333","0.001","3224.7","0.4","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H88 Mo O4 P2 S4 -","- C66 H88 Mo O4 P2 S4 -","- C132 H176 Mo2 O8 P4 S8 -","2","1","","Daniela Buccella; Gerard Parkin","Mononuclear and Dinuclear Molybdenum and Tungsten Complexes of p-tert-Butyltetrathiacalix[4]arene and p-tert-Butyltetrasulfonylcalix[4]arene: Facile Cleavage of the Calixarene Ligand Framework by Nickel","Journal of the American Chemical Society","2008","130","","8617","8619","10.1021/ja803215x","","","0.71073","MoKα","","0.0615","0.0423","","","0.1049","0.1151","","","","","","1.023","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4108003","13.2173","0.0009","14.3491","0.0009","18.9086","0.0012","84.63","0.001","73.869","0.001","66.282","0.001","3153.3","0.4","243","2","243","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H84 Mo O4 P3 S4 -","- C58 H84 Mo O4 P3 S4 -","- C116 H168 Mo2 O8 P6 S8 -","2","1","","Daniela Buccella; Gerard Parkin","Mononuclear and Dinuclear Molybdenum and Tungsten Complexes of p-tert-Butyltetrathiacalix[4]arene and p-tert-Butyltetrasulfonylcalix[4]arene: Facile Cleavage of the Calixarene Ligand Framework by Nickel","Journal of the American Chemical Society","2008","130","","8617","8619","10.1021/ja803215x","","","0.71073","MoKα","","0.052","0.0394","","","0.1062","0.1139","","","","","","1.055","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108004","12.3747","0.0014","18.238","0.002","18.723","0.002","90","","97.803","0.002","90","","4186.5","0.8","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H120 Mo2 O12 P6 S4 -","- C76 H120 Mo2 O12 P6 S4 -","- C152 H240 Mo4 O24 P12 S8 -","2","0.5","","Daniela Buccella; Gerard Parkin","Mononuclear and Dinuclear Molybdenum and Tungsten Complexes of p-tert-Butyltetrathiacalix[4]arene and p-tert-Butyltetrasulfonylcalix[4]arene: Facile Cleavage of the Calixarene Ligand Framework by Nickel","Journal of the American Chemical Society","2008","130","","8617","8619","10.1021/ja803215x","","","0.71073","MoKα","","0.0848","0.0593","","","0.1581","0.1823","","","","","","1.025","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108005","29.496","0.002","16.9091","0.0012","27.935","0.002","90","","107.052","0.001","90","","13320.1","1.6","125","2","125","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H87 Mo O12 P3 S4 -","- C61 H87 Mo O12 P3 S4 -","- C488 H696 Mo8 O96 P24 S32 -","8","1","","Daniela Buccella; Gerard Parkin","Mononuclear and Dinuclear Molybdenum and Tungsten Complexes of p-tert-Butyltetrathiacalix[4]arene and p-tert-Butyltetrasulfonylcalix[4]arene: Facile Cleavage of the Calixarene Ligand Framework by Nickel","Journal of the American Chemical Society","2008","130","","8617","8619","10.1021/ja803215x","","","0.71073","MoKα","","0.1344","0.0519","","","0.0985","0.1285","","","","","","1.003","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4108006","14.1372","0.0006","24.2372","0.0011","21.5715","0.001","90","","107.351","0.001","90","","7055.1","0.5","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H91 O12 P3 S4 W -","- C49 H73 O12 P3 S4 W -","- C196 H292 O48 P12 S16 W4 -","4","1","","Daniela Buccella; Gerard Parkin","Mononuclear and Dinuclear Molybdenum and Tungsten Complexes of p-tert-Butyltetrathiacalix[4]arene and p-tert-Butyltetrasulfonylcalix[4]arene: Facile Cleavage of the Calixarene Ligand Framework by Nickel","Journal of the American Chemical Society","2008","130","","8617","8619","10.1021/ja803215x","","","0.71073","MoKα","","0.1038","0.0499","","","0.0819","0.0883","","","","","","1.062","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108007","13.6182","0.0006","15.7406","0.0006","17.2203","0.0007","84.063","0.001","73.404","0.001","83.212","0.001","3503.3","0.2","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C66.5 H95 O12 P3 S4 W -","- C66.5 H95 O12 P3 S4 W -","- C133 H190 O24 P6 S8 W2 -","2","1","","Daniela Buccella; Gerard Parkin","Mononuclear and Dinuclear Molybdenum and Tungsten Complexes of p-tert-Butyltetrathiacalix[4]arene and p-tert-Butyltetrasulfonylcalix[4]arene: Facile Cleavage of the Calixarene Ligand Framework by Nickel","Journal of the American Chemical Society","2008","130","","8617","8619","10.1021/ja803215x","","","0.71073","MoKα","","0.0256","0.0225","","","0.0573","0.0589","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108008","14.5404","0.0011","16.1285","0.0013","17.951","0.002","114.671","0.002","100.424","0.002","104.562","0.001","3501.6","0.6","125","2","125","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H99 Ni O4 P5 S4 W -","- C61 H99 Ni O4 P5 S4 W -","- C122 H198 Ni2 O8 P10 S8 W2 -","2","1","","Daniela Buccella; Gerard Parkin","Mononuclear and Dinuclear Molybdenum and Tungsten Complexes of p-tert-Butyltetrathiacalix[4]arene and p-tert-Butyltetrasulfonylcalix[4]arene: Facile Cleavage of the Calixarene Ligand Framework by Nickel","Journal of the American Chemical Society","2008","130","","8617","8619","10.1021/ja803215x","","","0.71073","MoKα","","0.0626","0.0387","","","0.0719","0.0789","","","","","","1.004","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4108009","16.0332","0.0017","16.501","0.0018","17.3405","0.0019","109.434","0.002","99.872","0.002","102.302","0.002","4078.1","0.8","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H99 O4 P S4 W -","- C71 H75 O4 P S4 W -","- C142 H150 O8 P2 S8 W2 -","2","1","","Daniela Buccella; Gerard Parkin","Mononuclear and Dinuclear Molybdenum and Tungsten Complexes of p-tert-Butyltetrathiacalix[4]arene and p-tert-Butyltetrasulfonylcalix[4]arene: Facile Cleavage of the Calixarene Ligand Framework by Nickel","Journal of the American Chemical Society","2008","130","","8617","8619","10.1021/ja803215x","","","0.71073","MoKα","","0.0722","0.042","","","0.0907","0.0989","","","","","","1.049","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108010","12.3356","0.0008","12.4148","0.0008","15.2081","0.0009","75.851","0.001","68.304","0.001","74.616","0.001","2058.5","0.2","243","2","243","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H114 O4 P6 S4 W2 -","- C70 H114 O4 P6 S4 W2 -","- C70 H114 O4 P6 S4 W2 -","1","0.5","","Daniela Buccella; Gerard Parkin","Mononuclear and Dinuclear Molybdenum and Tungsten Complexes of p-tert-Butyltetrathiacalix[4]arene and p-tert-Butyltetrasulfonylcalix[4]arene: Facile Cleavage of the Calixarene Ligand Framework by Nickel","Journal of the American Chemical Society","2008","130","","8617","8619","10.1021/ja803215x","","","0.71073","MoKα","","0.0385","0.0302","","","0.0727","0.0765","","","","","","1.005","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108011","11.0964","0.0019","5.8325","0.001","24.085","0.004","90","","98.716","0.003","90","","1540.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","- C72 H64 N16 O8 -","4","1","","Brant C. Boren; Sridhar Narayan; Lars K. Rasmussen; Li Zhang; Haitao Zhao; Zhenyang Lin; Guochen Jia; Valery V. Fokin","Ruthenium-Catalyzed Azide-Alkyne Cycloaddition: Scope and Mechanism","Journal of the American Chemical Society","2008","130","","8923","8930","10.1021/ja0749993","","","0.71073","MoKα","","0.0542","0.0454","","","0.1159","0.1221","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108012","33.703","0.005","20.664","0.003","23.485","0.004","90","","132.887","0.002","90","","11984","3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Cp*sMo(S2)SSMe][O3SCF3]","","","- C47.5 H70 F6 Mo4 O6 S10 -","- C47.5 H70 F6 Mo4 O6 S10 -","- C380 H560 F48 Mo32 O48 S80 -","8","1","","Aaron M. Appel; Suh-Jane Lee; James A. Franz; Daniel L. DuBois; M. Rakowski DuBois; Jerome C. Birnbaum; Brendan Twamley","Formation and Reactivity of a Persistent Radical in a Dinuclear Molybdenum Complex","Journal of the American Chemical Society","2008","130","","8940","8951","10.1021/ja078115r","","","0.71073","MoKα","","0.1075","0.0651","","","0.1555","0.1756","","","","","","0.966","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108013","10.5202","0.0004","12.5398","0.0005","26.2385","0.001","87.631","0.002","84.018","0.002","78.866","0.001","3377","0.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","[Cp*2Mo2S2S(Bz)S(Me)] + C6H6","","","- C34 H46 Mo2 S4 -","- C34 H46 Mo2 S4 -","- C136 H184 Mo8 S16 -","4","2","","Aaron M. Appel; Suh-Jane Lee; James A. Franz; Daniel L. DuBois; M. Rakowski DuBois; Jerome C. Birnbaum; Brendan Twamley","Formation and Reactivity of a Persistent Radical in a Dinuclear Molybdenum Complex","Journal of the American Chemical Society","2008","130","","8940","8951","10.1021/ja078115r","","","0.71073","MoKα","","0.0523","0.0362","","","0.0774","0.0837","","","","","","1.048","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4108014","11.6316","0.0004","11.6316","0.0004","35.549","0.002","90","","90","","90","","4809.6","0.4","90","2","90","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","[Cp*2Mo2S3SMe]2","","","- C42 H66 Mo4 S8 -","- C42 H66 Mo4 S8 -","- C168 H264 Mo16 S32 -","4","0.5","","Aaron M. Appel; Suh-Jane Lee; James A. Franz; Daniel L. DuBois; M. Rakowski DuBois; Jerome C. Birnbaum; Brendan Twamley","Formation and Reactivity of a Persistent Radical in a Dinuclear Molybdenum Complex","Journal of the American Chemical Society","2008","130","","8940","8951","10.1021/ja078115r","","","0.71073","MoKα","","0.026","0.025","","","0.0608","0.0614","","","","","","1.059","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4108015","13.7803","0.0012","21.2002","0.0018","17.4958","0.0015","90","","90.26","0.002","90","","5111.3","0.8","108","2","108","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 F18 N O5 W -","- C16 H19 F18 N O5 W -","- C128 H152 F144 N8 O40 W8 -","8","2","","Andrea M. Geyer; Eric S. Wiedner; J. Brannon Gary; Robyn L. Gdula; Nicola C. Kuhlmann; Marc J. A. Johnson; Barry D. Dunietz; Jeff W. Kampf","Synthetic, Mechanistic, and Computational Investigations of Nitrile-Alkyne Cross-Metathesis","Journal of the American Chemical Society","2008","130","","8984","8999","10.1021/ja800020w","","","0.71073","MoKα","","0.0569","0.0533","","","0.1384","0.1411","","","","","","1.122","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108016","22.88","0.005","18.04","0.004","36.791","0.007","90","","90.034","0.003","90","","15186","6","108","2","108","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 F24 Li N O8 W -","- C24 H32 F24 Li N O8 W -","- C384 H512 F384 Li16 N16 O128 W16 -","16","4","","Andrea M. Geyer; Eric S. Wiedner; J. Brannon Gary; Robyn L. Gdula; Nicola C. Kuhlmann; Marc J. A. Johnson; Barry D. Dunietz; Jeff W. Kampf","Synthetic, Mechanistic, and Computational Investigations of Nitrile-Alkyne Cross-Metathesis","Journal of the American Chemical Society","2008","130","","8984","8999","10.1021/ja800020w","","","0.71073","MoKα","","0.0292","0.0236","","","0.0486","0.0504","","","","","","1.036","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4108017","6.1711","0.0007","6.6959","0.0008","24.683","0.003","90","","90","","90","","1019.9","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 F2 N2 O4 -","- C9 H10 F2 N2 O4 -","- C36 H40 F8 N8 O16 -","4","1","","Joseph J. Barchi; Rajeshri G. Karki; Marc C. Nicklaus; Maqbool A. Siddiqui; Clifford George; Igor A. Mikhailopulo; Victor E. Marquez","Comprehensive Structural Studies of 2',3'-Difluorinated Nucleosides: Comparison of Theory, Solution, and Solid State","Journal of the American Chemical Society","2008","130","","9048","9057","10.1021/ja800964g","","","0.71073","MoKα","","0.0402","0.0352","","","0.0906","0.0933","","","","","","1.022","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108018","23.159","0.001","23.159","0.001","7.016","0.001","90","","90","","120","","3258.8","0.5","198","2","198","2","","","","","","","","5","P 65","P 65","170","","","","- C9.33 H11 F2 N2 O4.17 -","- C9.33 H10.99 F2 N2 O4.165 -","- C111.96 H131.88 F24 N24 O49.98 -","12","2","","Joseph J. Barchi; Rajeshri G. Karki; Marc C. Nicklaus; Maqbool A. Siddiqui; Clifford George; Igor A. Mikhailopulo; Victor E. Marquez","Comprehensive Structural Studies of 2',3'-Difluorinated Nucleosides: Comparison of Theory, Solution, and Solid State","Journal of the American Chemical Society","2008","130","","9048","9057","10.1021/ja800964g","","","1.54178","CuKα","","0.0586","0.044","","","0.0925","0.0977","","","","","","0.995","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4108019","9.015","0.001","5.568","0.001","10.058","0.001","90","","103.214","0.003","90","","491.5","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H9 F2 N3 O4 -","- C8 H9 F2 N3 O4 -","- C16 H18 F4 N6 O8 -","2","1","","Joseph J. Barchi; Rajeshri G. Karki; Marc C. Nicklaus; Maqbool A. Siddiqui; Clifford George; Igor A. Mikhailopulo; Victor E. Marquez","Comprehensive Structural Studies of 2',3'-Difluorinated Nucleosides: Comparison of Theory, Solution, and Solid State","Journal of the American Chemical Society","2008","130","","9048","9057","10.1021/ja800964g","","","1.54178","CuKα","","0.0307","0.0302","","","0.077","0.0776","","","","","","1.074","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108020","16.506","0.0006","7.3215","0.0003","13.9763","0.0006","90","","100.516","0.002","90","","1660.65","0.12","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl6 Co N2 -","- C10 H10 Cl6 Co N2 -","- C40 H40 Cl24 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.71073","MoKα","","0.0561","0.0389","","","0.1033","0.1094","","","","","","1.617","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108021","16.4936","0.0009","7.3003","0.0004","13.888","0.0009","90","","100.556","0.004","90","","1643.93","0.17","240","2","240","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl6 Co N2 -","- C10 H10 Cl6 Co N2 -","- C40 H40 Cl24 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.71073","MoKα","","0.0455","0.0335","","","0.0821","0.0857","","","","","","1.564","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108022","16.493","0.0007","7.2802","0.0003","13.8389","0.0006","90","","100.55","0.003","90","","1633.58","0.12","210","2","210","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl6 Co N2 -","- C10 H10 Cl6 Co N2 -","- C40 H40 Cl24 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.71073","MoKα","","0.0398","0.0304","","","0.0739","0.0764","","","","","","1.552","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108023","16.4898","0.0009","7.2729","0.0004","13.7991","0.0008","90","","100.551","0.003","90","","1626.93","0.16","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl6 Co N2 -","- C10 H10 Cl6 Co N2 -","- C40 H40 Cl24 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.71073","MoKα","","0.0365","0.0281","","","0.0673","0.0698","","","","","","1.51","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108024","16.4924","0.0006","7.2511","0.0003","13.7532","0.0005","90","","100.545","0.002","90","","1616.94","0.11","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl6 Co N2 -","- C10 H10 Cl6 Co N2 -","- C40 H40 Cl24 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.71073","MoKα","","0.0311","0.0255","","","0.0608","0.0624","","","","","","1.489","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108025","16.4836","0.0009","7.2469","0.0004","13.7167","0.0008","90","","100.551","0.003","90","","1610.82","0.16","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl6 Co N2 -","- C10 H10 Cl6 Co N2 -","- C40 H40 Cl24 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.71073","MoKα","","0.0281","0.0229","","","0.0552","0.0563","","","","","","1.55","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108026","16.4821","0.0009","7.2348","0.0004","13.6784","0.0008","90","","100.547","0.003","90","","1603.52","0.16","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl6 Co N2 -","- C10 H10 Cl6 Co N2 -","- C40 H40 Cl24 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.71073","MoKα","","0.025","0.0212","","","0.0554","0.0564","","","","","","1.482","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108027","16.4775","0.0009","7.226","0.0004","13.6408","0.0008","90","","100.546","0.003","90","","1596.73","0.16","60","2","60","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl6 Co N2 -","- C10 H10 Cl6 Co N2 -","- C40 H40 Cl24 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.71073","MoKα","","0.0232","0.0205","","","0.0537","0.0543","","","","","","1.553","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108028","16.4754","0.0008","7.2193","0.0004","13.6161","0.0007","90","","100.541","0.003","90","","1592.18","0.14","30","2","30","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl6 Co N2 -","- C10 H10 Cl6 Co N2 -","- C40 H40 Cl24 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.71073","MoKα","","0.022","0.0195","","","0.0517","0.0524","","","","","","1.548","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108029","17.2842","0.0009","7.5139","0.0004","14.0608","0.0008","90","","100.051","0.003","90","","1798.08","0.17","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br4 Cl2 Co N2 -","- C10 H10 Br4 Cl2 Co N2 -","- C40 H40 Br16 Cl8 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.71073","MoKα","","0.0595","0.0414","","","0.1089","0.1134","","","","","","1.674","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108030","17.249","0.0011","7.4744","0.0005","13.9631","0.0009","90","","100.123","0.003","90","","1772.2","0.2","240","2","240","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br4 Cl2 Co N2 -","- C10 H10 Br4 Cl2 Co N2 -","- C40 H40 Br16 Cl8 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.71073","MoKα","","0.0432","0.0324","","","0.0815","0.0837","","","","","","1.597","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108031","17.2461","0.0009","7.4589","0.0004","13.9154","0.0008","90","","100.129","0.003","90","","1762.14","0.17","210","2","210","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br4 Cl2 Co N2 -","- C10 H10 Br4 Cl2 Co N2 -","- C40 H40 Br16 Cl8 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.71073","MoKα","","0.0357","0.028","","","0.0714","0.0731","","","","","","1.555","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108032","17.2353","0.0011","7.4456","0.0005","13.8804","0.0009","90","","100.158","0.003","90","","1753.3","0.2","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br4 Cl2 Co N2 -","- C10 H10 Br4 Cl2 Co N2 -","- C40 H40 Br16 Cl8 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.71073","MoKα","","0.0306","0.0247","","","0.0591","0.0603","","","","","","1.444","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108033","17.2433","0.0011","7.4312","0.0005","13.8431","0.0009","90","","100.143","0.003","90","","1746.1","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br4 Cl2 Co N2 -","- C10 H10 Br4 Cl2 Co N2 -","- C40 H40 Br16 Cl8 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.71073","MoKα","","0.0255","0.0212","","","0.0488","0.0495","","","","","","1.512","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108034","17.2186","0.0009","7.4177","0.0004","13.8073","0.0007","90","","100.193","0.002","90","","1735.67","0.16","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br4 Cl2 Co N2 -","- C10 H10 Br4 Cl2 Co N2 -","- C40 H40 Br16 Cl8 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.71073","MoKα","","0.0208","0.0181","","","0.0429","0.0434","","","","","","1.377","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108035","17.211","0.0009","7.4028","0.0004","13.7689","0.0007","90","","100.218","0.002","90","","1726.47","0.16","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br4 Cl2 Co N2 -","- C10 H10 Br4 Cl2 Co N2 -","- C40 H40 Br16 Cl8 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.71073","MoKα","","0.018","0.0156","","","0.0368","0.0372","","","","","","1.337","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108036","17.1969","0.0009","7.3925","0.0004","13.7372","0.0007","90","","100.243","0.002","90","","1718.55","0.16","60","2","60","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br4 Cl2 Co N2 -","- C10 H10 Br4 Cl2 Co N2 -","- C40 H40 Br16 Cl8 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.71073","MoKα","","0.0163","0.0148","","","0.035","0.0352","","","","","","1.392","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108037","17.1915","0.001","7.3882","0.0004","13.7152","0.0008","90","","100.254","0.003","90","","1714.2","0.17","30","2","30","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br4 Cl2 Co N2 -","- C10 H10 Br4 Cl2 Co N2 -","- C40 H40 Br16 Cl8 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.71073","MoKα","","0.0215","0.0188","","","0.0386","0.039","","","","","","1.189","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108038","16.52","0.003","7.3101","0.0013","13.95","0.004","90","","100.485","0.017","90","","1656.5","0.6","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl6 Co N2 -","- C10 H10 Cl6 Co N2 -","- C40 H40 Cl24 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.488","X-rays","","0.169","0.0773","","","0.2138","0.2972","","","","","","0.994","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108039","16.5059","0.0012","7.2124","0.0012","13.752","0.0011","90","","100.695","0.006","90","","1608.7","0.3","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl6 Co N2 -","- C10 H10 Cl6 Co N2 -","- C40 H40 Cl24 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.488","X-ray","","0.1006","0.0578","","","0.1474","0.179","","","","","","1.24","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108040","16.4993","0.0012","7.1511","0.0012","13.6366","0.0011","90","","100.808","0.006","90","","1580.4","0.3","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl6 Co N2 -","- C10 H10 Cl6 Co N2 -","- C40 H40 Cl24 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.488","X-rays","","0.0758","0.0394","","","0.0882","0.1069","","","","","","1.048","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108041","16.4769","0.0014","7.0705","0.0013","13.4942","0.0012","90","","100.971","0.006","90","","1543.3","0.3","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl6 Co N2 -","- C10 H10 Cl6 Co N2 -","- C40 H40 Cl24 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.488","X-rays","","0.0717","0.0404","","","0.0911","0.1037","","","","","","1.051","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108042","16.4411","0.0007","6.9803","0.0006","13.3444","0.0006","90","","101.164","0.003","90","","1502.47","0.16","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl6 Co N2 -","- C10 H10 Cl6 Co N2 -","- C40 H40 Cl24 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.488","X-rays","","0.0722","0.0402","","","0.0895","0.1015","","","","","","1.06","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108043","16.3973","0.0007","6.8907","0.0007","13.2377","0.0007","90","","101.387","0.004","90","","1466.27","0.18","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl6 Co N2 -","- C10 H10 Cl6 Co N2 -","- C40 H40 Cl24 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.488","X-rays","","0.143","0.0703","","","0.1789","0.2184","","","","","","1.115","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108044","16.3564","0.0011","6.76","0.001","13.15","0.001","90","","101.79","0.005","90","","1423.3","0.3","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl6 Co N2 -","- C10 H10 Cl6 Co N2 -","- C40 H40 Cl24 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.488","X-rays","","0.1037","0.0621","","","0.1638","0.1904","","","","","","1.226","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108045","16.354","0.005","6.577","0.004","13.014","0.005","90","","102.23","0.02","90","","1368","1.1","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl6 Co N2 -","- C10 H10 Cl6 Co N2 -","- C40 H40 Cl24 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.488","X-rays","","0.1354","0.079","","","0.2068","0.2437","","","","","","1.06","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108046","16.317","0.002","6.5279","0.0017","12.914","0.002","90","","102.463","0.01","90","","1343.1","0.4","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl6 Co N2 -","- C10 H10 Cl6 Co N2 -","- C40 H40 Cl24 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.488","X-rays","","0.1953","0.1341","","","0.348","0.3919","","","","","","1.395","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108047","17.214","0.004","7.4879","0.001","14.0091","0.0018","90","","99.98","0.02","90","","1778.4","0.5","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br4 Cl2 Co N2 -","- C10 H10 Br4 Cl2 Co N2 -","- C40 H40 Br16 Cl8 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.488","X-rays","","0.1154","0.0623","","","0.1637","0.2002","","","","","","1.245","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108048","17.211","0.002","7.3392","0.0004","13.7246","0.0007","90","","100.381","0.009","90","","1705.2","0.2","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br4 Cl2 Co N2 -","- C10 H10 Br4 Cl2 Co N2 -","- C40 H40 Br16 Cl8 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.488","X-rays","","0.0935","0.0549","","","0.1191","0.1381","","","","","","1.692","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108049","17.144","0.004","7.2256","0.001","13.5526","0.0016","90","","100.611","0.019","90","","1650.1","0.5","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br4 Cl2 Co N2 -","- C10 H10 Br4 Cl2 Co N2 -","- C40 H40 Br16 Cl8 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.488","X-rays","","0.0808","0.0498","","","0.1247","0.1391","","","","","","1.16","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108050","17.137","0.003","7.188","0.003","13.504","0.002","90","","100.821","0.013","90","","1633.9","0.8","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br4 Cl2 Co N2 -","- C10 H10 Br4 Cl2 Co N2 -","- C40 H40 Br16 Cl8 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.488","X-rays","","0.0734","0.052","","","0.1286","0.1431","","","","","","1.083","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108051","17.082","0.003","7.066","0.002","13.353","0.002","90","","101.073","0.012","90","","1581.7","0.6","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br4 Cl2 Co N2 -","- C10 H10 Br4 Cl2 Co N2 -","- C40 H40 Br16 Cl8 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.488","X-rays","","0.0655","0.0435","","","0.1154","0.1284","","","","","","1.043","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108052","17.058","0.002","7.0335","0.0017","13.2733","0.0015","90","","101.103","0.009","90","","1562.7","0.5","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br4 Cl2 Co N2 -","- C10 H10 Br4 Cl2 Co N2 -","- C40 H40 Br16 Cl8 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.488","X-rays","","0.0649","0.0458","","","0.1318","0.1408","","","","","","1.297","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108053","17.022","0.002","6.9783","0.0017","13.1936","0.0018","90","","101.2","0.01","90","","1537.3","0.5","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br4 Cl2 Co N2 -","- C10 H10 Br4 Cl2 Co N2 -","- C40 H40 Br16 Cl8 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.488","X-rays","","0.0826","0.0514","","","0.1236","0.1349","","","","","","1.208","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108054","16.968","0.002","6.8746","0.0019","13.0779","0.0018","90","","101.392","0.011","90","","1495.5","0.5","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br4 Cl2 Co N2 -","- C10 H10 Br4 Cl2 Co N2 -","- C40 H40 Br16 Cl8 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.488","X-rays","","0.0893","0.054","","","0.1365","0.152","","","","","","1.464","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108055","16.92","0.003","6.768","0.002","13.009","0.002","90","","101.541","0.014","90","","1459.6","0.6","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br4 Cl2 Co N2 -","- C10 H10 Br4 Cl2 Co N2 -","- C40 H40 Br16 Cl8 Co4 N8 -","4","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren","Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br)","Journal of the American Chemical Society","2008","130","","9058","9071","10.1021/ja8010868","","","0.488","X-rays","","0.1014","0.0681","","","0.1883","0.2036","","","","","","1.439","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108056","21.2194","0.0009","21.3055","0.0008","24.4632","0.001","89.325","0.003","79.31","0.003","63.263","0.003","9673.3","0.7","93.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C148 H100 Ag9 F27 N24 O46 S21 -","- C148 H72 Ag9 F27 N24 O46 S21 -","- C296 H144 Ag18 F54 N48 O92 S42 -","2","1","","Shuichi Hiraoka; Erika Okuno; Takaaki Tanaka; Motoo Shiro; Mitsuhiko Shionoya","Ranging Correlated Motion (1.5 nm) of Two Coaxially Arranged Rotors Mediated by Helix Inversion of a Supramolecular Transmitter","Journal of the American Chemical Society","2008","130","","9089","9098","10.1021/ja8014583","","","1.54187","CuKα","","","0.1345","","","","0.3908","","","","","","1.055","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108057","12.744","0.003","13.071","0.003","20.47","0.004","82.89","0.03","74.53","0.03","88.8","0.03","3260.8","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Er H0 Na9 O71 W10 -","- Er Na9 O71 W10 -","- Er2 Na18 O142 W20 -","2","1","","Murad A. AlDamen; Juan M. Clemente-Juan; Eugenio Coronado; Carlos Martí-Gastaldo; Alejandro Gaita-Ariño","Mononuclear Lanthanide Single-Molecule Magnets Based on Polyoxometalates","Journal of the American Chemical Society","2008","130","","8874","8875","10.1021/ja801659m","","","0.71073","MoKα","","0.1103","0.0714","","","0.1742","0.1905","","","","","","0.984","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108058","10.361","0.002","15.457","0.003","18.005","0.004","110.955","0.008","93.425","0.007","103.604","0.006","2584.2","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","La2@C72Ad","La2@C72Ad","","- C94 H22 Cl4 La2 -","- C94 H22 Cl4 La2 -","- C188 H44 Cl8 La4 -","2","1","","Xing Lu; Hidefumi Nikawa; Tsukasa Nakahodo; Takahiro Tsuchiya; Midori O. Ishitsuka; Yutaka Maeda; Takeshi Akasaka; Makoto Toki; Hiroshi Sawa; Zdenek Slanina; Naomi Mizorogi; Shigeru Nagase","Chemical Understanding of a Non-IPR Metallofullerene: Stabilization of Encaged Metals on Fused-Pentagon Bonds in La2@C72","Journal of the American Chemical Society","2008","130","","9129","9136","10.1021/ja8019577","","","0.71075","MoKα","","0.0961","0.0761","","","0.1788","0.1905","","","","","","1.029","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4108059","10.468","0.002","15.464","0.004","17.864","0.004","111.15","0.009","95.53","0.008","104.178","0.01","2559.7","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","La2@C72(Ad)","La2@C72(Ad)","","- C94 H22 Cl4 La2 -","- C94 H22 Cl4 La2 -","- C188 H44 Cl8 La4 -","2","1","","Xing Lu; Hidefumi Nikawa; Tsukasa Nakahodo; Takahiro Tsuchiya; Midori O. Ishitsuka; Yutaka Maeda; Takeshi Akasaka; Makoto Toki; Hiroshi Sawa; Zdenek Slanina; Naomi Mizorogi; Shigeru Nagase","Chemical Understanding of a Non-IPR Metallofullerene: Stabilization of Encaged Metals on Fused-Pentagon Bonds in La2@C72","Journal of the American Chemical Society","2008","130","","9129","9136","10.1021/ja8019577","","x-ray","0.71075","MoKα","","0.07","0.0528","","","0.1194","0.1264","","","","","","1.077","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4108060","10.4412","0.0009","15.5","0.0016","17.919","0.0014","110.931","0.005","95.813","0.004","104.328","0.005","2566.1","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","La@C72Ad","La@C72Ad","","- C94 H22 Cl4 La2 -","- C94 H22 Cl4 La2.0002 -","- C188 H44 Cl8 La4.0004 -","2","1","","Xing Lu; Hidefumi Nikawa; Tsukasa Nakahodo; Takahiro Tsuchiya; Midori O. Ishitsuka; Yutaka Maeda; Takeshi Akasaka; Makoto Toki; Hiroshi Sawa; Zdenek Slanina; Naomi Mizorogi; Shigeru Nagase","Chemical Understanding of a Non-IPR Metallofullerene: Stabilization of Encaged Metals on Fused-Pentagon Bonds in La2@C72","Journal of the American Chemical Society","2008","130","","9129","9136","10.1021/ja8019577","","x-ray","0.9983","synchrotron","","0.0844","0.067","","","0.2015","0.2131","","","","","","1.06","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4108061","11.278","0.002","11.608","0.002","13.556","0.002","88.988","0.003","89.252","0.003","87.863","0.003","1773","0.5","138","2","138","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H51.5 K Mn N7.5 O4 -","- C29 H51.5 K Mn N7.5 O4 -","- C58 H103 K2 Mn2 N15 O8 -","2","1","","Ryan L. Shook; William A. Gunderson; John Greaves; Joseph W. Ziller; Michael P. Hendrich; A. S. Borovik","A Monomeric MnIII-Peroxo Complex Derived Directly from Dioxygen","Journal of the American Chemical Society","2008","130","","8888","8889","10.1021/ja802775e","","","0.71073","MoKα","","0.0707","0.0513","","","0.1264","0.1398","","","","","","1.042","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4108062","12.601","0.005","14.722","0.006","16.085","0.006","90","","90","","90","","2984","2","296","2","296","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C32 H42 N2 Rh2 -","- C32 H40 N2 Rh2 -","- C128 H160 N8 Rh8 -","4","0.5","","Shin Takemoto; Shohei Otsuki; Yasuhiro Hashimoto; Ken Kamikawa; Hiroyuki Matsuzaka","Divalent Dirhodium Imido Complexes: Formation, Structure, and Alkyne Cycloaddition Reactivity","Journal of the American Chemical Society","2008","130","","8904","8905","10.1021/ja8033922","","","0.71075","MoKα","","0.0592","0.0485","","","0.1001","0.1038","","","","","","1.215","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108063","12.763","0.004","16.265","0.007","16.571","0.006","90","","92.249","0.012","90","","3437","2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C40 H45 N Rh2 -","- C40 H45 N Rh2 -","- C160 H180 N4 Rh8 -","4","1","","Shin Takemoto; Shohei Otsuki; Yasuhiro Hashimoto; Ken Kamikawa; Hiroyuki Matsuzaka","Divalent Dirhodium Imido Complexes: Formation, Structure, and Alkyne Cycloaddition Reactivity","Journal of the American Chemical Society","2008","130","","8904","8905","10.1021/ja8033922","","","0.71075","MoKα","","0.1543","0.1013","","","0.2629","0.2837","","","","","","1.431","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108064","16.831","0.007","16.775","0.005","23.043","0.007","90","","103.634","0.015","90","","6323","4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H47 N Rh2 -","- C32 H47 N Rh2 -","- C256 H376 N8 Rh16 -","8","1","","Shin Takemoto; Shohei Otsuki; Yasuhiro Hashimoto; Ken Kamikawa; Hiroyuki Matsuzaka","Divalent Dirhodium Imido Complexes: Formation, Structure, and Alkyne Cycloaddition Reactivity","Journal of the American Chemical Society","2008","130","","8904","8905","10.1021/ja8033922","","","0.71075","MoKα","","0.0366","0.0305","","","0.0806","0.0845","","","","","","1.109","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108065","18.111","0.004","11.438","0.004","17.523","0.004","90","","90","","90","","3630","1.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C37 H56 N2 Rh2 -","- C37 H56 N2 Rh2 -","- C148 H224 N8 Rh8 -","4","1","","Shin Takemoto; Shohei Otsuki; Yasuhiro Hashimoto; Ken Kamikawa; Hiroyuki Matsuzaka","Divalent Dirhodium Imido Complexes: Formation, Structure, and Alkyne Cycloaddition Reactivity","Journal of the American Chemical Society","2008","130","","8904","8905","10.1021/ja8033922","","","0.71075","MoKα","","0.0326","0.0261","","","0.0574","0.0597","","","","","","1.021","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108066","26.01","0.004","17.383","0.0018","17.619","0.002","90","","118.334","0.009","90","","7011.7","1.6","95","2","95","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(iPr2Im)2(h2-C10F8)Ni(0)","","- C35 H40 F8 N4 Ni -","- C35 H40 F8 N4 Ni -","- C280 H320 F64 N32 Ni8 -","8","1","","Thomas Schaub; Peter Fischer; Andreas Steffen; Thomas Braun; Udo Radius; Andreas Mix","C-F Activation of Fluorinated Arenes using NHC-Stabilized Nickel(0) Complexes: Selectivity and Mechanistic Investigations","Journal of the American Chemical Society","2008","130","","9304","9317","10.1021/ja074640e","","","0.71073","MoKα","","0.0709","0.0394","","","0.0655","0.0747","","","","","","1.052","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108067","10.801","0.002","10.801","0.0014","24.033","0.002","90","","90","","90","","2803.7","0.7","95","2","95","2","","","","","","","","6","P 43","P 4cw","78","","(iPr2Im)2(F)(C6F5)Ni(II)","","- C24 H34 F6 N4 Ni O -","- C24 H34 F6 N4 Ni O -","- C96 H136 F24 N16 Ni4 O4 -","4","1","","Thomas Schaub; Peter Fischer; Andreas Steffen; Thomas Braun; Udo Radius; Andreas Mix","C-F Activation of Fluorinated Arenes using NHC-Stabilized Nickel(0) Complexes: Selectivity and Mechanistic Investigations","Journal of the American Chemical Society","2008","130","","9304","9317","10.1021/ja074640e","","","0.71073","MoKα","","0.0514","0.0357","","","0.065","0.0701","","","","","","1.059","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108068","35.173","0.004","10.2706","0.0013","24.407","0.003","90","","128.352","0.014","90","","6914","2","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(iPr2Im)2(F)(C6F4-4-SiMe)Ni(II)","","- C28.5 H44.5 F5 N4 Ni Si -","- C28.5 H44.5 F5 N4 Ni Si -","- C228 H356 F40 N32 Ni8 Si8 -","8","1","","Thomas Schaub; Peter Fischer; Andreas Steffen; Thomas Braun; Udo Radius; Andreas Mix","C-F Activation of Fluorinated Arenes using NHC-Stabilized Nickel(0) Complexes: Selectivity and Mechanistic Investigations","Journal of the American Chemical Society","2008","130","","9304","9317","10.1021/ja074640e","","","0.71073","MoKα","","0.1143","0.0631","","","0.1538","0.1832","","","","","","1.009","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108069","8.324","0.003","12.866","0.004","23.101","0.008","83.494","0.005","80.571","0.005","82.972","0.005","2411.3","1.4","273","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H50 F6 O3 S2 -","- C56 H50 F6 O3 S2 -","- C112 H100 F12 O6 S4 -","2","1","","Ryota Arai; Shinobu Uemura; Masahiro Irie; Kenji Matsuda","Reversible Photoinduced Change in Molecular Ordering of Diarylethene Derivatives at a Solution-HOPG Interface","Journal of the American Chemical Society","2008","130","","9371","9379","10.1021/ja711041p","","","0.71073","MoKα","","0.0939","0.0611","","","0.1507","0.1799","","","","","","1.165","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108070","10.743","0.0012","34.303","0.004","27.698","0.003","90","","98.018","0.002","90","","10107","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound 2[B(ArF)4] in main text","","","- C104 H120 B F24 Mo2 N8 -","- C104 H120 B F24 Mo2 N8 -","- C416 H480 B4 F96 Mo8 N32 -","4","1","","John J. Curley; Timothy R. Cook; Steven Y. Reece; Peter Müller; Christopher C. Cummins","Shining Light on Dinitrogen Cleavage: Structural Features, Redox Chemistry, and Photochemistry of the Key Intermediate Bridging Dinitrogen Complex","Journal of the American Chemical Society","2008","130","","9394","9405","10.1021/ja8002638","","","0.71073","MoKα","","0.0963","0.0614","","","0.1378","0.1568","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108071","37.061","0.003","14.5586","0.0011","27.9278","0.0017","90","","112.022","0.002","90","","13969.2","1.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","compound 3 in main text","","","- C36 H54 Mo N4 -","- C36.0001 H54 Mo N4 -","- C576.001 H864 Mo16 N64 -","16","4","","John J. Curley; Timothy R. Cook; Steven Y. Reece; Peter Müller; Christopher C. Cummins","Shining Light on Dinitrogen Cleavage: Structural Features, Redox Chemistry, and Photochemistry of the Key Intermediate Bridging Dinitrogen Complex","Journal of the American Chemical Society","2008","130","","9394","9405","10.1021/ja8002638","","","0.71073","MoKα","","0.0764","0.0633","","","0.1815","0.1954","","","","","","1.088","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4108072","19.2758","0.0019","11.4817","0.0012","21.05","0.002","90","","99.162","0.002","90","","4599.3","0.8","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","Compound 2 in main text","","","- C84 H144 Mo2 N8 O2 Si4 -","- C84 H144 Mo2 N8 O2 Si4 -","- C168 H288 Mo4 N16 O4 Si8 -","2","0.5","","John J. Curley; Timothy R. Cook; Steven Y. Reece; Peter Müller; Christopher C. Cummins","Shining Light on Dinitrogen Cleavage: Structural Features, Redox Chemistry, and Photochemistry of the Key Intermediate Bridging Dinitrogen Complex","Journal of the American Chemical Society","2008","130","","9394","9405","10.1021/ja8002638","","","0.71073","MoKα","","0.0391","0.0332","","","0.0842","0.0888","","","","","","1.034","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108073","21.706","0.008","11.313","0.004","31.325","0.011","90","","99.944","0.006","90","","7577","5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","compound 2 in main text","","","- C77 H120 Mo2 N8 -","- C77 H120 Mo2 N8 -","- C308 H480 Mo8 N32 -","4","1","","John J. Curley; Timothy R. Cook; Steven Y. Reece; Peter Müller; Christopher C. Cummins","Shining Light on Dinitrogen Cleavage: Structural Features, Redox Chemistry, and Photochemistry of the Key Intermediate Bridging Dinitrogen Complex","Journal of the American Chemical Society","2008","130","","9394","9405","10.1021/ja8002638","","","0.71073","MoKα","","0.067","0.0395","","","0.0915","0.1079","","","","","","1.063","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4108074","17.0959","0.001","21.861","0.0012","21.5744","0.0012","90","","96.258","0.001","90","","8015","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","compound 2[B(ArF)4]2 in main text","","","- C158.4 H178.4 B2 F48 Mo2 N8 O4.4 -","- C158.4 H178.4 B2 F48 Mo2 N8 O4.4 -","- C316.8 H356.8 B4 F96 Mo4 N16 O8.8 -","2","0.5","","John J. Curley; Timothy R. Cook; Steven Y. Reece; Peter Müller; Christopher C. Cummins","Shining Light on Dinitrogen Cleavage: Structural Features, Redox Chemistry, and Photochemistry of the Key Intermediate Bridging Dinitrogen Complex","Journal of the American Chemical Society","2008","130","","9394","9405","10.1021/ja8002638","","","0.71073","MoKα","","0.0791","0.0494","","","0.1207","0.1394","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108075","11.35","0.002","14.15","0.003","16.557","0.003","77.231","0.003","75.225","0.003","67.525","0.003","2353.1","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(CO)5W(cyclo-P3)W(N[iPr]Ar)3","","","- C43 H60 N3 O5 P3 W2 -","- C43 H60 N3 O5 P3 W2 -","- C86 H120 N6 O10 P6 W4 -","2","1","","Nicholas A. Piro; Christopher C. Cummins","P2Addition to Terminal Phosphide M\τbP Triple Bonds: A Rational Synthesis of cyclo-P3 Complexes","Journal of the American Chemical Society","2008","130","","9524","9535","10.1021/ja802080m","","","0.71073","MoKα","","0.0621","0.042","","","0.0914","0.0994","","","","","","1.095","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4108076","12.145","0.003","13.565","0.003","22.695","0.006","106.235","0.004","91.068","0.004","94.536","0.004","3575.3","1.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","{Et2ONa}{[W(CO)5]2(cyclo-P3)Nb(N[Np]Ar)3} (C6H6)","","","- C59 H76 N3 Na Nb O11 P3 W2 -","- C59 H76 N3 Na Nb O11 P3 W2 -","- C118 H152 N6 Na2 Nb2 O22 P6 W4 -","2","1","","Nicholas A. Piro; Christopher C. Cummins","P2Addition to Terminal Phosphide M\τbP Triple Bonds: A Rational Synthesis of cyclo-P3 Complexes","Journal of the American Chemical Society","2008","130","","9524","9535","10.1021/ja802080m","","","0.71073","MoKα","","0.097","0.0515","","","0.1186","0.1383","","","","","","1.033","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4108077","12.1488","0.0008","13.9473","0.0009","24.4655","0.0015","75.719","0.001","79.17","0.001","66.612","0.001","3668.4","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","Ph3Sn{(CO)5W}P3Nb(N[Np]Ar)3 O(SiMe3)2","","","- C68 H93 N3 Nb O6 P3 Si2 Sn W -","- C68 H93 N3 Nb O6 P3 Si2 Sn W -","- C136 H186 N6 Nb2 O12 P6 Si4 Sn2 W2 -","2","1","","Nicholas A. Piro; Christopher C. Cummins","P2Addition to Terminal Phosphide M\τbP Triple Bonds: A Rational Synthesis of cyclo-P3 Complexes","Journal of the American Chemical Society","2008","130","","9524","9535","10.1021/ja802080m","","","0.71073","MoKα","","0.0591","0.0359","","","0.0662","0.0746","","","","","","1.043","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4108078","12.553","0.002","16.226","0.003","19.007","0.004","67.754","0.003","84.259","0.003","87.128","0.004","3565","1.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","[Mes*NPW(CO)5]P3Nb(N[Np]Ar)3 (Et2O)","","","- C65.11 H96.77 N4 Nb O5.78 P4 W -","- C65.1076 H96.769 N4 Nb O5.7769 P4 W -","- C130.215 H193.538 N8 Nb2 O11.5538 P8 W2 -","2","1","","Nicholas A. Piro; Christopher C. Cummins","P2Addition to Terminal Phosphide M\τbP Triple Bonds: A Rational Synthesis of cyclo-P3 Complexes","Journal of the American Chemical Society","2008","130","","9524","9535","10.1021/ja802080m","","","0.71073","MoKα","","0.0478","0.0339","","","0.0727","0.0786","","","","","","1.03","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4108079","13.9056","0.0012","21.2534","0.0018","23.425","0.002","90","","106.21","0.001","90","","6647.8","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[W(CO)5]2(AdC(O)P3)Nb(N[Np]Ar)3 (C5H10)0.5","","","- C62.5 H81 N3 Nb O11 P3 W2 -","- C62.5 H81 N3 Nb O11 P3 W2 -","- C250 H324 N12 Nb4 O44 P12 W8 -","4","1","","Nicholas A. Piro; Christopher C. Cummins","P2Addition to Terminal Phosphide M\τbP Triple Bonds: A Rational Synthesis of cyclo-P3 Complexes","Journal of the American Chemical Society","2008","130","","9524","9535","10.1021/ja802080m","","","0.71073","MoKα","","0.0361","0.0243","","","0.0521","0.0575","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108080","41.125","0.011","11.457","0.003","19.676","0.005","90","","93.174","0.005","90","","9257","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","AdCP2Mo(N[iPr]Ar)3 (toluene)","","","- C51 H71 Mo N3 P2 -","- C51 H71 Mo N3 P2 -","- C408 H568 Mo8 N24 P16 -","8","1","","Nicholas A. Piro; Christopher C. Cummins","P2Addition to Terminal Phosphide M\τbP Triple Bonds: A Rational Synthesis of cyclo-P3 Complexes","Journal of the American Chemical Society","2008","130","","9524","9535","10.1021/ja802080m","","","0.71073","MoKα","","0.0542","0.0365","","","0.0796","0.089","","","","","","1.036","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108081","10.6092","0.0006","13.4345","0.0008","14.855","0.0008","88.2376","0.0009","84.4833","0.0009","79.6293","0.0009","2072.8","0.2","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H52 N4 O10 S3 -","- C41 H52 N4 O10 S3 -","- C82 H104 N8 O20 S6 -","2","1","","Lauren M. Huffman; Shannon S. Stahl","Carbon-Nitrogen Bond Formation Involving Well-Defined Aryl-Copper(III) Complexes","Journal of the American Chemical Society","2008","130","","9196","9197","10.1021/ja802123p","","","0.71073","Mo-Kα","","0.0767","0.0526","","","0.134","0.1449","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108082","5.6367","0.0009","12.1719","0.0019","17.353","0.004","76.461","0.002","81.464","0.004","76.789","0.002","1121.2","0.4","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","milpp01","","","- C27.5 H22 N6 -","- C27.5 H22 N6 -","- C55 H44 N12 -","2","1","","Prakash B. Palde; Peter C. Gareiss; Benjamin L. Miller","Selective Recognition of Alkyl Pyranosides in Protic and Aprotic Solvents","Journal of the American Chemical Society","2008","130","","9566","9573","10.1021/ja802229f","","","0.71073","MoKα","","0.0903","0.0485","","","0.1081","0.1245","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108083","4.896","0.0013","39.526","0.01","21.594","0.006","90","","94.161","0.005","90","","4167.8","1.9","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","milpp02","","","- C24 H18 N6 -","- C24 H18 N6 -","- C192 H144 N48 -","8","2","","Prakash B. Palde; Peter C. Gareiss; Benjamin L. Miller","Selective Recognition of Alkyl Pyranosides in Protic and Aprotic Solvents","Journal of the American Chemical Society","2008","130","","9566","9573","10.1021/ja802229f","","","0.71073","MoKα","","0.1347","0.0656","","","0.1287","0.15","","","","","","0.981","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108084","10.2146","0.0004","14.2563","0.0007","15.4161","0.0008","90","","90.814","0.003","90","","2244.7","0.18","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 Cl2 N O P Pd -","- C23 H20 Cl2 N O P Pd -","- C92 H80 Cl8 N4 O4 P4 Pd4 -","4","1","","Seung Hwan Cho; Seung Jun Hwang; Sukbok Chang","Palladium-Catalyzed C-H Functionalization of Pyridine N-Oxides: Highly Selective Alkenylation and Direct Arylation with Unactivated Arenes","Journal of the American Chemical Society","2008","130","","9254","9256","10.1021/ja8026295","","","0.71073","MoKα","","0.0948","0.0455","","","0.0774","0.0903","","","","","","0.981","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108085","5.663","0.0009","16.205","0.003","16.938","0.003","90","","92.227","0.002","90","","1553.2","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N O P -","- C17 H20 N O P -","- C68 H80 N4 O4 P4 -","4","1","","Thomas E. Lightburn; Michael T. Dombrowski; Kian L. Tan","Catalytic Scaffolding Ligands: An Efficient Strategy for Directing Reactions","Journal of the American Chemical Society","2008","130","","9210","9211","10.1021/ja803011d","","","0.71073","MoKα","","0.0615","0.0474","","","0.1172","0.127","","","","","","1.026","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4108086","13.4974","0.0001","18.8077","0.0002","14.1387","0.0001","90","","96.092","0.001","90","","3568.91","0.05","193","2","193","2","","","","","","","chemical synthesis","6","P 1 21 1","P 2yb","4","CU05-038","Bis[(1R,2R)-2-(2-phenyl-1H-pyrrol-1-yl)cyclohexylamino]methaniminium Tetrakis[3,5-bis(trifluoromethyl)phenyl]borate Di(propan-2-ol) Solvate","","- C71 H68 B F24 N5 O2 -","- C71 H68 B F24 N5 O2 -","- C142 H136 B2 F48 N10 O4 -","2","1","","Christopher Uyeda; Eric N. Jacobsen","Enantioselective Claisen Rearrangements with a Hydrogen-Bond Donor Catalyst","Journal of the American Chemical Society","2008","130","","9228","9229","10.1021/ja803370x","","","0.71073","MoKα","","0.059","0.0436","","","0.1028","0.1119","","","","","","1.014","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4108087","10.988","0.0001","11.519","0.0001","39.162","0.0005","90","","90","","90","","4956.76","0.09","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H48 Cu F6 N2 O P3 -","- C52 H48 Cu F6 N2 O P3 -","- C208 H192 Cu4 F24 N8 O4 P12 -","4","1","","Sonia Nieto; Vincent M. Lynch; Eric V. Anslyn; Hyunwoo Kim; Jik Chin","High-Throughput Screening of Identity, Enantiomeric Excess, and Concentration Using MLCT Transitions in CD Spectroscopy","Journal of the American Chemical Society","2008","130","","9232","9233","10.1021/ja803443j","","","0.71073","MoKα","","0.1121","0.0618","","","0.1483","0.1703","","","","","","1.137","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108088","5.6086","0.0005","13.9556","0.0012","21.634","0.0019","90","","90","","90","","1693.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O10 Se -","- C13 H20 O10 Se -","- C52 H80 O40 Se4 -","4","1","","Mohannad Abdo; Spencer Knapp","Biomimetic Seleninates and Selenonates","Journal of the American Chemical Society","2008","130","","9234","9235","10.1021/ja8034448","","","0.71073","MoKα","","0.0404","0.0371","","","0.09","0.0913","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108089","11.415","0.002","11.921","0.002","19.023","0.003","90","","105.772","0.002","90","","2491.2","0.7","273.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 O10 -","- C31 H25 O10 -","- C124 H100 O40 -","4","1","","Jean-Philip Lumb; Kevin C. Choong; Dirk Trauner","ortho-Quinone Methides from para-Quinones: Total Synthesis of Rubioncolin B","Journal of the American Chemical Society","2008","130","","9230","9231","10.1021/ja803498r","","","0.7107","MoKα","","0.0707","0.0421","","0.0553","","0.0515","","","","","","2.191","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108090","7.3557","0.0002","8.7509","0.0002","13.5113","0.0003","83.025","0.001","89.369","0.001","89.672","0.001","863.21","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N4 O6 -","- C17 H16 N4 O6 -","- C34 H32 N8 O12 -","2","1","","Matthew J. Campbell; Patrick D. Pohlhaus; Geanna Min; Kohsuke Ohmatsu; Jeffrey S. Johnson","An ""Anti-Baldwin"" 3-Exo-Dig Cyclization: Preparation of Vinylidene Cyclopropanes from Electron-Poor Alkenes","Journal of the American Chemical Society","2008","130","","9180","9181","10.1021/ja803553a","","","1.54178","CuKα","","0.0326","0.03","","","0.0806","0.0823","","","","","","1.055","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108091","11.2466","0.0008","11.9082","0.0009","14.2975","0.001","90","","90","","90","","1914.8","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N3 O4 S -","- C19 H25 N3 O4 S -","- C76 H100 N12 O16 S4 -","4","1","","Hua Yang; Rich G. Carter; Lev N. Zakharov","Enantioselective Total Synthesis of Lycopodine","Journal of the American Chemical Society","2008","130","","9238","9239","10.1021/ja803613w","","","0.71073","MoKα","","0.0424","0.0356","","","0.0816","0.0861","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108092","9.3648","0.001","10.0518","0.0011","18.751","0.002","90","","90","","90","","1765.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O3 S -","- C19 H25 N O3 S -","- C76 H100 N4 O12 S4 -","4","1","","Hua Yang; Rich G. Carter; Lev N. Zakharov","Enantioselective Total Synthesis of Lycopodine","Journal of the American Chemical Society","2008","130","","9238","9239","10.1021/ja803613w","","","0.71073","MoKα","","0.0618","0.0436","","","0.0799","0.0876","","","","","","1.06","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108093","10.009","0.001","11.164","0.001","14.152","0.002","91.177","0.002","108.735","0.002","99.232","0.002","1473.8","0.3","152.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H36 N2 O6 -","- C33 H36 N2 O6 -","- C66 H72 N4 O12 -","2","1","","Nathan D. Shapiro; F. Dean Toste","Synthesis of Azepines by a Gold-Catalyzed Intermolecular [4 + 3]-Annulation","Journal of the American Chemical Society","2008","130","","9244","9245","10.1021/ja803890t","","","0.7107","MoKα","","0.0777","0.0462","","0.068","","0.0601","","","","","","1.683","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108094","13.01","0.002","16.696","0.003","17.141","0.003","66.982","0.003","69.797","0.004","79.001","0.003","3209.3","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H72 F3 N Na O6 P S2 -","- C58 H72 F3 N Na O6 P S2 -","- C116 H144 F6 N2 Na2 O12 P2 S4 -","2","1","","Cheol Hong Cheon; Hisashi Yamamoto","A Brønsted Acid Catalyst for the Enantioselective Protonation Reaction","Journal of the American Chemical Society","2008","130","","9246","9247","10.1021/ja8041542","","","0.71073","MoKα","","0.1507","0.062","","","0.1445","0.1693","","","","","","0.768","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108095","10.0957","0.0006","14.0633","0.0008","19.3858","0.0011","90","","90","","90","","2752.4","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 Cl2 N O1.5 P Pd -","- C25 H27 Cl2 N O1.5 P Pd -","- C100 H108 Cl8 N4 O6 P4 Pd4 -","4","1","","Wen-Qiong Wu; Qian Peng; Da-Xuan Dong; Xue-Long Hou; Yun-Dong Wu","A Dramatic Switch of Enantioselectivity in Asymmetric Heck Reaction by Benzylic Substituents of Ligands","Journal of the American Chemical Society","2008","130","","9717","9725","10.1021/ja7104174","","","0.71073","MoKα","","0.0556","0.0449","","","0.1156","0.1197","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108096","10.2217","0.001","15.7882","0.0015","16.2334","0.0015","90","","90","","90","","2619.8","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl2 N O P Pd -","- C27 H30 Cl2 N O P Pd -","- C108 H120 Cl8 N4 O4 P4 Pd4 -","4","1","","Wen-Qiong Wu; Qian Peng; Da-Xuan Dong; Xue-Long Hou; Yun-Dong Wu","A Dramatic Switch of Enantioselectivity in Asymmetric Heck Reaction by Benzylic Substituents of Ligands","Journal of the American Chemical Society","2008","130","","9717","9725","10.1021/ja7104174","","","0.71073","MoKα","","0.0867","0.0488","","","0.0635","0.0713","","","","","","0.794","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108097","40.173","0.002","40.173","0.002","7.1602","0.0006","90","","90","","120","","10007.5","1.1","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H12 N O2 S4 -","- C24 H12 N O2 S4 -","- C432 H216 N18 O36 S72 -","18","1","","Joseph A. Letizia; Michael R. Salata; Caitlin M. Tribout; Antonio Facchetti; Mark A. Ratner; Tobin J. Marks","n-Channel Polymers by Design: Optimizing the Interplay of Solubilizing Substituents, Crystal Packing, and Field-Effect Transistor Characteristics in Polymeric Bithiophene-Imide Semiconductors","Journal of the American Chemical Society","2008","130","","9679","9694","10.1021/ja710815a","","","0.71073","MoKα","","0.0856","0.0692","","","0.1971","0.2132","","","","","","1.069","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108098","16.2706","0.0015","9.196","0.008","22.721","0.002","90","","94.146","0.002","90","","3391","3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H114 O8 S2 -","- C72 H114 O8 S2 -","- C144 H228 O16 S4 -","2","0.5","","Christian B. Nielsen; Alex Angerhofer; Khalil A. Abboud; John R. Reynolds","Discrete Photopatternable π-Conjugated Oligomers for Electrochromic Devices","Journal of the American Chemical Society","2008","130","","9734","9746","10.1021/ja7112273","","","0.71073","MoKα","","0.1108","0.0641","","","0.1464","0.1681","","","","","","1.004","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108099","10.3264","0.0009","5.9833","0.0005","16.681","0.0015","90","","92.386","0.002","90","","1029.76","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O4 S2 -","- C24 H22 O4 S2 -","- C48 H44 O8 S4 -","2","0.5","","Christian B. Nielsen; Alex Angerhofer; Khalil A. Abboud; John R. Reynolds","Discrete Photopatternable π-Conjugated Oligomers for Electrochromic Devices","Journal of the American Chemical Society","2008","130","","9734","9746","10.1021/ja7112273","","","0.71073","MoKα","","0.0478","0.0373","","","0.0897","0.094","","","","","","1.075","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108100","10.223","0.003","10.223","0.003","14.493","0.005","90","","90","","90","","1514.7","0.8","293","2","293","2","","","","","","","","4","P 43 2 2","P 4cw 2c","95","","","","- C9 H5 O7 Y -","- C9 H3 O7 Y -","- C36 H12 O28 Y4 -","4","0.5","","Junhua Luo; Hongwu Xu; Yun Liu; Yusheng Zhao; Luke L. Daemen; Craig Brown; Tatiana V. Timofeeva; Shengqian Ma; Hong-Cai Zhou","Hydrogen Adsorption in a Highly Stable Porous Rare-Earth Metal-Organic Framework: Sorption Properties and Neutron Diffraction Studies","Journal of the American Chemical Society","2008","130","","9626","9627","10.1021/ja801411f","","","0.71073","MoKα","","0.0818","0.0773","","","0.193","0.1976","","","","","","1.099","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108101","37.4329","0.0014","19.7762","0.0008","18.5622","0.0007","90","","90","","90","","13741.2","0.9","100","","100","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C24 H26 Ga10 N4 S16 -","- C24 H26 Ga10 N4 S16 -","- C192 H208 Ga80 N32 S128 -","8","1","","Paz Vaqueiro; M. Lucia Romero","Gallium-Sulfide Supertetrahedral Clusters as Building Blocks of Covalent Organic-Inorganic Networks","Journal of the American Chemical Society","2008","130","","9630","9631","10.1021/ja801619e","","","0.71073","MoKα","","0.1341","0.0424","","0.1155","0.0448","0.0448","","","","","","1.0998","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108102","12.4678","0.0012","13.6806","0.0013","20.385","0.002","81.599","0.006","88.542","0.005","82.967","0.005","3413.7","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Ga10 N4 S16 -","- C25 H24 Ga10 N4 S16 -","- C50 H48 Ga20 N8 S32 -","2","1","","Paz Vaqueiro; M. Lucia Romero","Gallium-Sulfide Supertetrahedral Clusters as Building Blocks of Covalent Organic-Inorganic Networks","Journal of the American Chemical Society","2008","130","","9630","9631","10.1021/ja801619e","","","0.71073","MoKα","","0.1086","0.0636","","0.1552","0.0788","0.0788","","","","","","1.0767","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108103","7.242","0.002","13.408","0.004","17.835","0.005","90","","90","","90","","1731.8","0.9","208","2","208","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Mn N O3 -","- C8 H6 Mn N O3 -","- C64 H48 Mn8 N8 O24 -","8","1","","Derek R. Laws; Daesung Chong; Karen Nash; Arnold L. Rheingold; William E. Geiger","Cymantrene Radical Cation Family: Spectral and Structural Characterization of the Half-Sandwich Analogues of Ferrocenium Ion","Journal of the American Chemical Society","2008","130","","9859","9870","10.1021/ja801930q","","","0.71073","MoKα","","0.04","0.0287","","","0.0679","0.0738","","","","","","1.049","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108104","16.467","0.002","11.6868","0.0017","18.85","0.003","90","","90","","90","","3627.6","0.9","208","2","208","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C37 H15 B F20 Mn O3 -","- C37 H15 B F20 Mn O3 -","- C148 H60 B4 F80 Mn4 O12 -","4","1","","Derek R. Laws; Daesung Chong; Karen Nash; Arnold L. Rheingold; William E. Geiger","Cymantrene Radical Cation Family: Spectral and Structural Characterization of the Half-Sandwich Analogues of Ferrocenium Ion","Journal of the American Chemical Society","2008","130","","9859","9870","10.1021/ja801930q","","","0.71073","MoKα","","0.0501","0.0429","","","0.1045","0.1109","","","","","","1.055","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108105","11.1365","0.0008","11.5717","0.0008","14.7086","0.001","101.326","0.001","111.616","0.001","102.739","0.001","1636.3","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H14 B F20 Mn N O7 -","- C32 H6 B F20 Mn N O3 -","- C64 H12 B2 F40 Mn2 N2 O6 -","2","1","","Derek R. Laws; Daesung Chong; Karen Nash; Arnold L. Rheingold; William E. Geiger","Cymantrene Radical Cation Family: Spectral and Structural Characterization of the Half-Sandwich Analogues of Ferrocenium Ion","Journal of the American Chemical Society","2008","130","","9859","9870","10.1021/ja801930q","","","0.71073","MoKα","","0.0603","0.0462","","","0.1099","0.1169","","","","","","1.062","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108106","12.213","0.003","12.858","0.003","17.607","0.004","98.337","0.004","95.007","0.004","100.011","0.004","2676","1.1","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H75 Cl2 Fe7 P5 S6 -","- C30 H75 Cl2 Fe7 P5 S6 -","- C60 H150 Cl4 Fe14 P10 S12 -","2","1","","Liang Deng; R. H. Holm","Stabilization of Fully Reduced Iron-Sulfur Clusters by Carbene Ligation: The [FenSn]0 Oxidation Levels (n= 4, 8)","Journal of the American Chemical Society","2008","130","","9878","9886","10.1021/ja802111w","","","0.71073","MoKα","","0.0618","0.0504","","","0.1396","0.1476","","","","","","0.982","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108107","11.7881","0.0007","14.1107","0.0008","15.45","0.0008","106.468","0.001","95.791","0.001","92.206","0.001","2445.9","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H120 Fe8 N12 S8 -","- C66 H120 Fe8 N12 S8 -","- C66 H120 Fe8 N12 S8 -","1","0.5","","Liang Deng; R. H. Holm","Stabilization of Fully Reduced Iron-Sulfur Clusters by Carbene Ligation: The [FenSn]0 Oxidation Levels (n= 4, 8)","Journal of the American Chemical Society","2008","130","","9878","9886","10.1021/ja802111w","","","0.71073","MoKα","","0.0711","0.0511","","","0.1892","0.2027","","","","","","1.113","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108108","14.47","0.002","20.703","0.004","18.767","0.003","90","","96.635","0.002","90","","5584.4","1.6","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H80 Fe4 N8 S4 -","- C44 H80 Fe4 N8 S4 -","- C176 H320 Fe16 N32 S16 -","4","1","","Liang Deng; R. H. Holm","Stabilization of Fully Reduced Iron-Sulfur Clusters by Carbene Ligation: The [FenSn]0 Oxidation Levels (n= 4, 8)","Journal of the American Chemical Society","2008","130","","9878","9886","10.1021/ja802111w","","","0.71073","MoKα","","0.0255","0.0251","","","0.0663","0.0666","","","","","","1.035","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108109","9.5783","0.0011","11.7012","0.0014","17.972","0.002","90","","98.878","0.002","90","","1990.1","0.4","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H28 B9 Ga N -","- C13 H28 B9 Ga N -","- C52 H112 B36 Ga4 N4 -","4","1","","Jong-Dae Lee; Sung-Kwan Kim; Tae-Jin Kim; Won-Sik Han; Young-Joo Lee; Dae-Hwan Yoo; Minserk Cheong; Jaejung Ko; Sang Ook Kang","Dicarbollylamine Ligand as a Tunable Template for σ,σ- and π,σ-Bonding Modes: Syntheses, Structures, and Theoretical Studies of η5:η1-Coordinated Constrained-Geometry Group 13 Metal Complexes","Journal of the American Chemical Society","2008","130","","9904","9917","10.1021/ja802163q","","","0.71073","MoKα","","0.1445","0.1011","","","0.2514","0.2928","","","","","","1.028","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108110","19.109","0.007","7.275","0.003","11.101","0.004","90","","90","","90","","1543.2","1","233","2","233","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H24 Al B9 N -","- C7 H25 Al B9 N -","- C28 H100 Al4 B36 N4 -","4","1","","Jong-Dae Lee; Sung-Kwan Kim; Tae-Jin Kim; Won-Sik Han; Young-Joo Lee; Dae-Hwan Yoo; Minserk Cheong; Jaejung Ko; Sang Ook Kang","Dicarbollylamine Ligand as a Tunable Template for σ,σ- and π,σ-Bonding Modes: Syntheses, Structures, and Theoretical Studies of η5:η1-Coordinated Constrained-Geometry Group 13 Metal Complexes","Journal of the American Chemical Society","2008","130","","9904","9917","10.1021/ja802163q","","","0.71073","MoKα","","0.1452","0.0794","","","0.1959","0.2294","","","","","","1.083","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108111","8.525","0.004","10.739","0.005","14.128","0.006","97.602","0.01","101.047","0.009","91.297","0.01","1256.8","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H37 Al B9 N -","- C21 H37 Al B9 N -","- C42 H74 Al2 B18 N2 -","2","1","","Jong-Dae Lee; Sung-Kwan Kim; Tae-Jin Kim; Won-Sik Han; Young-Joo Lee; Dae-Hwan Yoo; Minserk Cheong; Jaejung Ko; Sang Ook Kang","Dicarbollylamine Ligand as a Tunable Template for σ,σ- and π,σ-Bonding Modes: Syntheses, Structures, and Theoretical Studies of η5:η1-Coordinated Constrained-Geometry Group 13 Metal Complexes","Journal of the American Chemical Society","2008","130","","9904","9917","10.1021/ja802163q","","","0.71073","MoKα","","0.1418","0.0591","","","0.1538","0.1988","","","","","","0.962","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108112","8.524","0.01","9.517","0.012","14.591","0.019","101.15","0.03","95.1","0.03","95.52","0.03","1149","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H33 Al B9 N -","- C20 H33 Al B9 N -","- C40 H66 Al2 B18 N2 -","2","1","","Jong-Dae Lee; Sung-Kwan Kim; Tae-Jin Kim; Won-Sik Han; Young-Joo Lee; Dae-Hwan Yoo; Minserk Cheong; Jaejung Ko; Sang Ook Kang","Dicarbollylamine Ligand as a Tunable Template for σ,σ- and π,σ-Bonding Modes: Syntheses, Structures, and Theoretical Studies of η5:η1-Coordinated Constrained-Geometry Group 13 Metal Complexes","Journal of the American Chemical Society","2008","130","","9904","9917","10.1021/ja802163q","","","0.71073","MoKα","","0.2808","0.078","","","0.1542","0.2158","","","","","","0.736","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108113","11.8146","0.0008","13.8235","0.001","13.9164","0.001","90","","99.787","0.002","90","","2239.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 B9 Ga N -","- C19 H31 B9 Ga N -","- C76 H124 B36 Ga4 N4 -","4","1","","Jong-Dae Lee; Sung-Kwan Kim; Tae-Jin Kim; Won-Sik Han; Young-Joo Lee; Dae-Hwan Yoo; Minserk Cheong; Jaejung Ko; Sang Ook Kang","Dicarbollylamine Ligand as a Tunable Template for σ,σ- and π,σ-Bonding Modes: Syntheses, Structures, and Theoretical Studies of η5:η1-Coordinated Constrained-Geometry Group 13 Metal Complexes","Journal of the American Chemical Society","2008","130","","9904","9917","10.1021/ja802163q","","","0.71073","MoKα","","0.1091","0.0501","","","0.1185","0.1407","","","","","","1.035","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108114","7.2048","0.001","16.46","0.002","11.8821","0.0016","90","","96.673","0.003","90","","1399.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H21 Al B9 N -","- C6 H21 Al B9 N -","- C24 H84 Al4 B36 N4 -","4","2","","Jong-Dae Lee; Sung-Kwan Kim; Tae-Jin Kim; Won-Sik Han; Young-Joo Lee; Dae-Hwan Yoo; Minserk Cheong; Jaejung Ko; Sang Ook Kang","Dicarbollylamine Ligand as a Tunable Template for σ,σ- and π,σ-Bonding Modes: Syntheses, Structures, and Theoretical Studies of η5:η1-Coordinated Constrained-Geometry Group 13 Metal Complexes","Journal of the American Chemical Society","2008","130","","9904","9917","10.1021/ja802163q","","","0.71073","MoKα","","0.12","0.0579","","","0.1392","0.1658","","","","","","0.994","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108115","7.8871","0.0009","15.6252","0.0019","12.3519","0.0015","90","","92.013","0.003","90","","1521.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H23 Al B9 N -","- C7 H23 Al B9 N -","- C28 H92 Al4 B36 N4 -","4","1","","Jong-Dae Lee; Sung-Kwan Kim; Tae-Jin Kim; Won-Sik Han; Young-Joo Lee; Dae-Hwan Yoo; Minserk Cheong; Jaejung Ko; Sang Ook Kang","Dicarbollylamine Ligand as a Tunable Template for σ,σ- and π,σ-Bonding Modes: Syntheses, Structures, and Theoretical Studies of η5:η1-Coordinated Constrained-Geometry Group 13 Metal Complexes","Journal of the American Chemical Society","2008","130","","9904","9917","10.1021/ja802163q","","","0.71073","MoKα","","0.1351","0.0662","","","0.1758","0.2109","","","","","","1.053","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108116","18.77","0.004","12.377","0.003","18.571","0.004","90","","109.212","0.004","90","","4074.1","1.6","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H56 Al2 B18 N2 -","- C30 H56 Al2 B18 N2 -","- C120 H224 Al8 B72 N8 -","4","1","","Jong-Dae Lee; Sung-Kwan Kim; Tae-Jin Kim; Won-Sik Han; Young-Joo Lee; Dae-Hwan Yoo; Minserk Cheong; Jaejung Ko; Sang Ook Kang","Dicarbollylamine Ligand as a Tunable Template for σ,σ- and π,σ-Bonding Modes: Syntheses, Structures, and Theoretical Studies of η5:η1-Coordinated Constrained-Geometry Group 13 Metal Complexes","Journal of the American Chemical Society","2008","130","","9904","9917","10.1021/ja802163q","","","0.71073","MoKα","","0.2688","0.1034","","","0.2426","0.3404","","","","","","0.913","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108117","10.6989","0.0007","11.4137","0.0007","12.2625","0.0008","74.158","0.006","76.395","0.006","83.4","0.005","1398.07","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H44 Ge K N O2 -","- C25 H44 Ge K N O2 -","- C50 H88 Ge2 K2 N2 O4 -","2","1","","Wenyuan Wang; Shenglai Yao; Christoph van Wüllen; Matthias Driess","A Cyclopentadienide Analogue Containing Divalent Germanium and a Heavy Cyclobutadiene-like Dianion with an Unusual Ge4 Core","Journal of the American Chemical Society","2008","130","","9640","9641","10.1021/ja802502b","","","0.71073","MoKα","","0.0538","0.0328","","","0.0638","0.0666","","","","","","0.94","","","","has coordinates","273129","2022-02-23","10:11:33",""
"4108118","9.1129","0.0006","11.3531","0.0007","19.0282","0.001","100.36","0.005","101.854","0.005","98.627","0.005","1859.2","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H59 Ge N3 -","- C41 H59 Ge N3 -","- C82 H118 Ge2 N6 -","2","1","","Wenyuan Wang; Shenglai Yao; Christoph van Wüllen; Matthias Driess","A Cyclopentadienide Analogue Containing Divalent Germanium and a Heavy Cyclobutadiene-like Dianion with an Unusual Ge4 Core","Journal of the American Chemical Society","2008","130","","9640","9641","10.1021/ja802502b","","","0.71073","MoKα","","0.0853","0.0399","","","0.0513","0.0566","","","","","","0.785","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108119","12.37","0.003","14.8433","0.0014","18.8725","0.0019","90","","96.311","0.014","90","","3444.2","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H100 Ge4 K2 N4 O2 -","- C66 H100 Ge4 K2 N4 O2 -","- C132 H200 Ge8 K4 N8 O4 -","2","0.5","","Wenyuan Wang; Shenglai Yao; Christoph van Wüllen; Matthias Driess","A Cyclopentadienide Analogue Containing Divalent Germanium and a Heavy Cyclobutadiene-like Dianion with an Unusual Ge4 Core","Journal of the American Chemical Society","2008","130","","9640","9641","10.1021/ja802502b","","","0.71073","MoKα","","0.0878","0.0429","","","0.0802","0.0885","","","","","","0.914","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108120","10.8466","0.0004","14.5211","0.0005","12.6067","0.0004","90","","109.175","0.002","90","","1875.45","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 O -","- C24 H28 O -","- C96 H112 O4 -","4","1","","Yu-Jun Zhao; Teck-Peng Loh","Bioinspired Polyene Cyclization Promoted by Intermolecular Chiral Acetal-SnCl4 or Chiral N-Acetal-TiCl4: Investigation of the Mechanism and Identification of the Key Intermediates","Journal of the American Chemical Society","2008","130","","10024","10029","10.1021/ja802896n","","","0.71073","MoKα","","0.0593","0.0459","","","0.1231","0.1335","","","","","","1.037","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108121","19.423","0.002","10.0634","0.0013","30.456","0.004","90","","94.994","0.004","90","","5930.4","1.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H41 N O3 S -","- C33 H41 N O3 S -","- C264 H328 N8 O24 S8 -","8","1","","Yu-Jun Zhao; Teck-Peng Loh","Bioinspired Polyene Cyclization Promoted by Intermolecular Chiral Acetal-SnCl4 or Chiral N-Acetal-TiCl4: Investigation of the Mechanism and Identification of the Key Intermediates","Journal of the American Chemical Society","2008","130","","10024","10029","10.1021/ja802896n","","","0.71073","MoKα","","0.1287","0.0775","","","0.2118","0.2494","","","","","","1.056","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108122","9.7288","0.0004","13.1736","0.0005","15.5623","0.0006","90","","90","","90","","1994.52","0.14","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O -","- C24 H29 N O -","- C96 H116 N4 O4 -","4","1","","Yu-Jun Zhao; Teck-Peng Loh","Bioinspired Polyene Cyclization Promoted by Intermolecular Chiral Acetal-SnCl4 or Chiral N-Acetal-TiCl4: Investigation of the Mechanism and Identification of the Key Intermediates","Journal of the American Chemical Society","2008","130","","10024","10029","10.1021/ja802896n","","","0.71073","MoKα","","0.0548","0.0484","","","0.1187","0.1262","","","","","","1.076","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108123","10.1814","0.0003","10.5773","0.0004","10.8061","0.0003","82.344","0.002","70.265","0.001","61.284","0.002","960.06","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C44 H42 N2 O6 S2 -","2","2","","Yu-Jun Zhao; Teck-Peng Loh","Bioinspired Polyene Cyclization Promoted by Intermolecular Chiral Acetal-SnCl4 or Chiral N-Acetal-TiCl4: Investigation of the Mechanism and Identification of the Key Intermediates","Journal of the American Chemical Society","2008","130","","10024","10029","10.1021/ja802896n","","","0.71073","MoKα","","0.0507","0.0401","","","0.0857","0.0987","","","","","","1.032","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108124","9.6179","0.0004","10.9147","0.0004","18.6004","0.0006","90","","90","","90","","1952.6","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C92 H84 N4 O12 S4 -","4","1","","Yu-Jun Zhao; Teck-Peng Loh","Bioinspired Polyene Cyclization Promoted by Intermolecular Chiral Acetal-SnCl4 or Chiral N-Acetal-TiCl4: Investigation of the Mechanism and Identification of the Key Intermediates","Journal of the American Chemical Society","2008","130","","10024","10029","10.1021/ja802896n","","","0.71073","MoKα","","0.0437","0.0373","","","0.091","0.096","","","","","","1.034","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108125","7.8528","0.0004","8.0068","0.0004","24.7105","0.0013","90","","90","","90","","1553.69","0.14","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C68 H68 N4 O12 S4 -","4","1","","Yu-Jun Zhao; Teck-Peng Loh","Bioinspired Polyene Cyclization Promoted by Intermolecular Chiral Acetal-SnCl4 or Chiral N-Acetal-TiCl4: Investigation of the Mechanism and Identification of the Key Intermediates","Journal of the American Chemical Society","2008","130","","10024","10029","10.1021/ja802896n","","","0.71073","MoKα","","0.0669","0.0547","","","0.1433","0.1663","","","","","","1.091","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108126","7.2273","0.0011","9.3866","0.0014","10.973","0.0016","90","","96.481","0.002","90","","739.65","0.19","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 I N O -","- C16 H14 I N O -","- C32 H28 I2 N2 O2 -","2","1","","Donna K. Friel; Marc L. Snapper; Amir H. Hoveyda","Aluminum-Catalyzed Asymmetric Alkylations of Pyridyl-Substituted Alkynyl Ketones with Dialkylzinc Reagents","Journal of the American Chemical Society","2008","130","","9942","9951","10.1021/ja802935w","","","0.71073","MoKα","","0.0269","0.0252","","","0.0581","0.0589","","","","","","1.063","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108127","9.3494","0.0002","9.6354","0.0002","13.2387","0.0003","90","","90","","90","","1192.61","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O -","- C15 H13 N O -","- C60 H52 N4 O4 -","4","1","","Donna K. Friel; Marc L. Snapper; Amir H. Hoveyda","Aluminum-Catalyzed Asymmetric Alkylations of Pyridyl-Substituted Alkynyl Ketones with Dialkylzinc Reagents","Journal of the American Chemical Society","2008","130","","9942","9951","10.1021/ja802935w","","","1.54178","CuKα","","0.0262","0.026","","","0.0663","0.0666","","","","","","1.085","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108128","24.8817","0.0008","24.8817","0.0008","24.8817","0.0008","90","","90","","90","","15404.2","0.9","298","2","298","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- C75 H96 S3 -","- C75 H96 S3 -","- C600 H768 S24 -","8","0.333333","","Jin-Liang Wang; Jing Yan; Zheng-Ming Tang; Qi Xiao; Yuguo Ma; Jian Pei","Gradient Shape-Persistent π-Conjugated Dendrimers for Light-Harvesting: Synthesis, Photophysical Properties, and Energy Funneling","Journal of the American Chemical Society","2008","130","","9952","9962","10.1021/ja803109r","","","0.71073","MoKα","","0.1615","0.0689","","","0.1704","0.1964","","","","","","0.96","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108129","10.5437","0.0008","10.5437","0.0008","26.876","0.002","90","","90","","90","","2987.8","0.4","150","2","150","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C62 H50 Cl4 N20 O Ru5 -","- C62 H48 Cl4 N20 O Ru5 -","- C124 H96 Cl8 N40 O2 Ru10 -","2","0.125","","Caixia Yin; Gin-Chen Huang; Ching-Kuo Kuo; Ming-Dung Fu; Hao-Cheng Lu; Jhih-Hong Ke; Kai-Neng Shih; Yi-Lin Huang; Gene-Hsiang Lee; Chen-Yu Yeh; Chun-hsien Chen; Shie-Ming Peng","Extended Metal-Atom Chains with an Inert Second Row Transition Metal: [Ru5(μ5-tpda)4X2] (tpda2-= tripyridyldiamido dianion, X = Cl and NCS)","Journal of the American Chemical Society","2008","130","","10090","10092","10.1021/ja8016818","","","0.71073","MoKα","","0.1006","0.0808","","","0.2408","0.2577","","","","","","1.078","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108130","10.533","0.0007","10.533","0.0007","26.1558","0.0017","90","","90","","90","","2901.8","0.3","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C62 H44 N22 Ru5 S2 -","- C62 H44 N22 Ru5 S2 -","- C124 H88 N44 Ru10 S4 -","2","0.125","","Caixia Yin; Gin-Chen Huang; Ching-Kuo Kuo; Ming-Dung Fu; Hao-Cheng Lu; Jhih-Hong Ke; Kai-Neng Shih; Yi-Lin Huang; Gene-Hsiang Lee; Chen-Yu Yeh; Chun-hsien Chen; Shie-Ming Peng","Extended Metal-Atom Chains with an Inert Second Row Transition Metal: [Ru5(μ5-tpda)4X2] (tpda2-= tripyridyldiamido dianion, X = Cl and NCS)","Journal of the American Chemical Society","2008","130","","10090","10092","10.1021/ja8016818","","","0.71073","MoKα","","0.1069","0.0834","","","0.2539","0.2791","","","","","","1.054","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108131","21.6686","0.0007","27.6614","0.0012","11.7069","0.0003","90","","91.697","0.002","90","","7013.8","0.4","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C100 H116 Cl29 N20 O16 Ru9 -","- C100 H116 Cl29 N20 O16 Ru9 -","- C200 H232 Cl58 N40 O32 Ru18 -","2","0.25","","Caixia Yin; Gin-Chen Huang; Ching-Kuo Kuo; Ming-Dung Fu; Hao-Cheng Lu; Jhih-Hong Ke; Kai-Neng Shih; Yi-Lin Huang; Gene-Hsiang Lee; Chen-Yu Yeh; Chun-hsien Chen; Shie-Ming Peng","Extended Metal-Atom Chains with an Inert Second Row Transition Metal: [Ru5(μ5-tpda)4X2] (tpda2-= tripyridyldiamido dianion, X = Cl and NCS)","Journal of the American Chemical Society","2008","130","","10090","10092","10.1021/ja8016818","","","0.71073","MoKα","","0.0915","0.0634","","","0.1676","0.1931","","","","","","1.059","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108132","5.19","0.002","17.154","0.006","10.861","0.004","90","","90.83","0.03","90","","966.8","0.6","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H4 Au2 F10 N2 -","- C20 H4 Au2 F10 N2 -","- C40 H8 Au4 F20 N4 -","2","0.5","","Hajime Ito; Tomohisa Saito; Naoya Oshima; Noboru Kitamura; Shoji Ishizaka; Yukio Hinatsu; Makoto Wakeshima; Masako Kato; Kiyoshi Tsuge; Masaya Sawamura","Reversible Mechanochromic Luminescence of [(C6F5Au)2(μ-1,4-Diisocyanobenzene)]","Journal of the American Chemical Society","2008","130","","10044","10045","10.1021/ja8019356","","","0.7107","MoKα","","","0.0355","","","","0.0976","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108133","14.4141","0.0007","15.6207","0.0008","17.4973","0.0009","73.652","0.001","79.656","0.001","62.921","0.001","3359.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H61 B F20 Hf N2 -","- C63 H45 B F20 Hf N2 -","- C126 H90 B2 F40 Hf2 N4 -","2","1","","Cristiano Zuccaccia; Alceo Macchioni; Vincenzo Busico; Roberta Cipullo; Giovanni Talarico; Francesca Alfano; Harold W. Boone; Kevin A. Frazier; Phillip D. Hustad; James C. Stevens; Paul C. Vosejpka; Khalil A. Abboud","Intra- and Intermolecular NMR Studies on the Activation of Arylcyclometallated Hafnium Pyridyl-Amido Olefin Polymerization Precatalysts","Journal of the American Chemical Society","2008","130","","10354","10368","10.1021/ja802072n","","","0.71073","MoKα","","0.0294","0.0251","","","0.0629","0.0639","","","","","","0.99","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108134","14.406","0.002","12.042","0.002","14.641","0.002","90","","117.741","0.004","90","","2247.9","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","[(C2H5)4N][C(NH2)3]7[3(CO3)][C3N2H2(COO)2]","","","- C23 H64 N24 O13 -","- C23 H64 N24 O13 -","- C46 H128 N48 O26 -","2","1","","Jie Han; Chung-Wah Yau; Chi-Keung Lam; Thomas C. W. Mak","Designed Supramolecular Assembly of Hydrogen-Bonded Anionic Rosette Layers","Journal of the American Chemical Society","2008","130","","10315","10326","10.1021/ja802425q","","","0.71073","MoKα","","0.1559","0.0627","","","0.1313","0.1646","","","","","","1.053","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108135","16.024","0.006","13.854","0.005","11.651","0.004","90","","90","","90","","2586.5","1.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[(C3H7)4N][C(NH2)3]CO3[B(OH)3]2","","","- C14 H40 B2 N4 O9 -","- C14 H40 B2 N4 O9 -","- C56 H160 B8 N16 O36 -","4","0.5","","Jie Han; Chung-Wah Yau; Chi-Keung Lam; Thomas C. W. Mak","Designed Supramolecular Assembly of Hydrogen-Bonded Anionic Rosette Layers","Journal of the American Chemical Society","2008","130","","10315","10326","10.1021/ja802425q","","","0.71073","MoKα","","0.1214","0.0688","","","0.2183","0.2621","","","","","","1.093","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108136","16.057","0.002","16.991","0.002","19.045","0.002","90","","90","","90","","5195.9","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[(C4H9)4N][C(NH2)3][C4O2S2]","","","- C21 H42 N4 O2 S2 -","- C21 H42 N4 O2 S2 -","- C168 H336 N32 O16 S16 -","8","1","","Jie Han; Chung-Wah Yau; Chi-Keung Lam; Thomas C. W. Mak","Designed Supramolecular Assembly of Hydrogen-Bonded Anionic Rosette Layers","Journal of the American Chemical Society","2008","130","","10315","10326","10.1021/ja802425q","","","0.71073","MoKα","","0.1273","0.0552","","","0.1513","0.2096","","","","","","1.007","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108137","13.121","0.004","10.154","0.003","20.248","0.006","90","","95.209","0.007","90","","2686.5","1.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","[(C2H5)4N][C(NH2)3][(C6H3)2(COOH)2(COO)]","","","- C50 H68 N8 O16 -","- C50 H48 N8 O16 -","- C100 H96 N16 O32 -","2","1","","Jie Han; Chung-Wah Yau; Chi-Keung Lam; Thomas C. W. Mak","Designed Supramolecular Assembly of Hydrogen-Bonded Anionic Rosette Layers","Journal of the American Chemical Society","2008","130","","10315","10326","10.1021/ja802425q","","","0.71073","MoKα","","0.1177","0.0668","","","0.1834","0.2139","","","","","","1.002","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108138","12.2393","0.0017","15.769","0.002","16.204","0.002","90","","101.315","0.003","90","","3066.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[(C3H7)4N][C(NH2)3][(C6H3)2(COOH)2(COO)2]","","","- C29 H42 N4 O8 -","- C29 H42 N4 O8 -","- C116 H168 N16 O32 -","4","1","","Jie Han; Chung-Wah Yau; Chi-Keung Lam; Thomas C. W. Mak","Designed Supramolecular Assembly of Hydrogen-Bonded Anionic Rosette Layers","Journal of the American Chemical Society","2008","130","","10315","10326","10.1021/ja802425q","","","0.71073","MoKα","","0.0979","0.0474","","","0.1083","0.1373","","","","","","1.002","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108139","11.5638","0.0006","13.8887","0.0008","18.3931","0.0011","82.969","0.0016","73.271","0.0014","75.505","0.0015","2734.9","0.3","183.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C69 H62 Cl2 Ir N2 O5 -","- C68.5 H56 Cl Ir N2 O5 -","- C137 H112 Cl2 Ir2 N4 O10 -","2","2","","Hidehiro Suematsu; Shigefumi Kanchiku; Tatsuya Uchida; Tsutomu Katsuki","Construction of Aryliridium-Salen Complexes: Enantio- and Cis-Selective Cyclopropanation of Conjugated and Nonconjugated Olefins","Journal of the American Chemical Society","2008","130","","10327","10337","10.1021/ja802561t","","","0.71075","MoKα","","","0.0475","","","","0.1398","","","","","","0.978","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108140","17.1972","0.0004","9.7664","0.0003","20.8704","0.0005","90","","90","","90","","3505.28","0.16","296.1","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H10 Cl14 Mo6 N2 O8 -","- C10 H10 Cl14 Mo6 N2 O8 -","- C40 H40 Cl56 Mo24 N8 O32 -","4","1","","Kei Inumaru; Takashi Kikudome; Hiroshi Fukuoka; Shoji Yamanaka","Reversible Emergence of a Self-Assembled Layered Structure From Three-Dimensional Isotropic Ionic Crystal of a Cluster Compound (4-HNC5H4OH)2Mo6Cl14 Driven By Absorption of Water and Alcohols","Journal of the American Chemical Society","2008","130","","10038","10039","10.1021/ja802752y","","","0.71069","MoKα","","","0.0407","","","","0.048","","","","","","2.704","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108141","8.9148","0.0004","9.6561","0.0005","17.6885","0.0007","90","","94.7019","0.0011","90","","1517.54","0.12","296.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl14 Mo6 N2 O2 -","- C10 H10 Cl14 Mo6 N2 O2 -","- C20 H20 Cl28 Mo12 N4 O4 -","2","0.5","","Kei Inumaru; Takashi Kikudome; Hiroshi Fukuoka; Shoji Yamanaka","Reversible Emergence of a Self-Assembled Layered Structure From Three-Dimensional Isotropic Ionic Crystal of a Cluster Compound (4-HNC5H4OH)2Mo6Cl14 Driven By Absorption of Water and Alcohols","Journal of the American Chemical Society","2008","130","","10038","10039","10.1021/ja802752y","","","0.71075","MoKα","","","0.0304","","","","0.0519","","","","","","3.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108142","10.0089","0.0003","13.3937","0.0004","21.0503","0.0007","90","","99.197","0.003","90","","2785.65","0.15","193","2","193","2","","","","","","","chemical synthesis","7","P 1 21/n 1","-P 2yn","14","TF04054","(Benzo[h]quinolinato){(2-nitrophenyl-sulfonyl)[(2-(pyridine-2-yl)phenyl] amido}-difluoropalladium(IV) Acetonitrile Solvate","","- C32 H23 F2 N5 O4 Pd S -","- C32 H23 F2 N5 O4 Pd S -","- C128 H92 F8 N20 O16 Pd4 S4 -","4","1","","Takeru Furuya; Tobias Ritter","Carbon-Fluorine Reductive Elimination from a High-Valent Palladium Fluoride","Journal of the American Chemical Society","2008","130","","10060","10061","10.1021/ja803187x","","","0.71073","MoKα","","0.0728","0.0383","","","0.0703","0.0829","","","","","","1.042","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108143","20.517","0.003","8.353","0.002","19.928","0.003","90","","90","","90","","3415.2","1.1","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H36 Cl9 Cr3 N4 O2 -","- C18 H36 Cl9 Cr3 N4 O2 -","- C72 H144 Cl36 Cr12 N16 O8 -","4","0.5","","Bert Mallick; Harald Kierspel; Anja-Verena Mudring","(CrCl3)3@2[C4mim][OMe]- Molecular Cluster-Type Chromium(III) Chloride Stabilized in a Salt Matrix","Journal of the American Chemical Society","2008","130","","10068","10069","10.1021/ja803322k","","","0.71073","MoKα","","0.1384","0.045","","","0.0849","0.1045","","","","","","0.693","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108144","34.8354","0.0004","8.90027","0.00015","9.35124","0.00008","90","","93.8815","0.001","90","","2892.65","0.06","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C29 H36 O13 -","- C29 H36 O13 -","- C116 H144 O52 -","4","1","","Ismael Navarro; Jean-François Basset; Séverine Hebbe; Sarah M. Major; Thomas Werner; Catherine Howsham; Jan Bräckow; Anthony G. M. Barrett","Biomimetic Synthesis of Resorcylate Natural Products Utilizing Late Stage Aromatization: Concise Total Syntheses of the Marine Antifungal Agents 15G256ι and 15G256β","Journal of the American Chemical Society","2008","130","","10293","10298","10.1021/ja803445u","","","1.54184","CuKα","","0.0394","0.0283","","","0.0644","0.0675","","","","","","0.915","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108145","27.5603","0.0018","9.3418","0.0005","15.5154","0.001","90","","103.102","0.0019","90","","3890.6","0.4","153.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 O5 Si2 -","- C18 O5 Si2 -","- C144 O40 Si16 -","8","1","","Hongzhi Liu; Shin-ichi Kondo; Nobuhiro Takeda; Masafumi Unno","Synthesis of Octacarboxy Spherosilicate","Journal of the American Chemical Society","2008","130","","10074","10075","10.1021/ja803513n","","","0.7107","MoKα","","","0.064","","","","0.1266","","","","","","3.496","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108146","15.359","0.003","12.065","0.002","14.452","0.003","90","","90","","90","","2678","0.9","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","rlh2044","","","- C26 H33 Co O8 S Si -","- C26 H33 Co O8 S Si -","- C104 H132 Co4 O32 S4 Si4 -","4","1","","Holland, Ryan L.; Bunker, Kevin D.; Chen, Christopher H.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Baldridge, Kim K.; O'Connor, Joseph M.","Reactions of a Metallacyclobutene Complex with Alkenes","Journal of the American Chemical Society","2008","130","31","10093","10095","10.1021/ja803701z","","","0.71073","MoKα","","0.0577","0.0458","","","0.0916","0.0982","","","","","","1.019","","","","has coordinates","278042","2022-09-21","13:02:35",""
"4108147","8.505","0.0007","22.626","0.0018","14.239","0.0011","90","","94.922","0.001","90","","2730","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","6-ZZ","","","- C26 H33 Co O8 S Si -","- C26 H33 Co O8 S Si -","- C104 H132 Co4 O32 S4 Si4 -","4","1","","Holland, Ryan L.; Bunker, Kevin D.; Chen, Christopher H.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Baldridge, Kim K.; O'Connor, Joseph M.","Reactions of a Metallacyclobutene Complex with Alkenes","Journal of the American Chemical Society","2008","130","31","10093","10095","10.1021/ja803701z","","","0.71073","MoKα","","0.0273","0.0261","","","0.0695","0.0703","","","","","","1.037","","","","has coordinates","219215","2020-10-21","18:00:00",""
"4108148","9.216","0.0004","11.216","0.0005","13.522","0.0009","101.39","0.001","101.14","0.001","112.029","0.001","1213.98","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H27 Co N2 O4 S Si -","- C24 H27 Co N2 O4 S Si -","- C48 H54 Co2 N4 O8 S2 Si2 -","2","1","","Holland, Ryan L.; Bunker, Kevin D.; Chen, Christopher H.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Baldridge, Kim K.; O'Connor, Joseph M.","Reactions of a Metallacyclobutene Complex with Alkenes","Journal of the American Chemical Society","2008","130","31","10093","10095","10.1021/ja803701z","","","0.71073","MoKα","","0.0393","0.0299","","","0.0673","0.072","","","","","","1.028","","","","has coordinates","219215","2020-10-21","18:00:00",""
"4108149","14.884","0.002","11.4118","0.0018","15.75","0.002","90","","98.671","0.002","90","","2644.6","0.6","208","2","208","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","8-ZE","","","- C26 H32 Co N O6 S Si -","- C26 H32 Co N O6 S Si -","- C104 H128 Co4 N4 O24 S4 Si4 -","4","1","","Holland, Ryan L.; Bunker, Kevin D.; Chen, Christopher H.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Baldridge, Kim K.; O'Connor, Joseph M.","Reactions of a Metallacyclobutene Complex with Alkenes","Journal of the American Chemical Society","2008","130","31","10093","10095","10.1021/ja803701z","","","0.71073","MoKα","","0.0479","0.033","","","0.0757","0.0817","","","","","","0.984","","","","has coordinates","219215","2020-10-21","18:00:00",""
"4108150","11.309","0.002","11.898","0.004","17.955","0.005","90","0.004","91.096","0.004","90","0.004","2415.5","1.1","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","9-exo","","","- C24 H27 Co O7 S Si -","- C24 H27 Co O7 S Si -","- C96 H108 Co4 O28 S4 Si4 -","4","1","","Holland, Ryan L.; Bunker, Kevin D.; Chen, Christopher H.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Baldridge, Kim K.; O'Connor, Joseph M.","Reactions of a Metallacyclobutene Complex with Alkenes","Journal of the American Chemical Society","2008","130","31","10093","10095","10.1021/ja803701z","","","0.71073","MoKα","","0.0305","0.0277","","","0.0736","0.0758","","","","","","1.029","","","","has coordinates","219215","2020-10-21","18:00:00",""
"4108151","8.293","0.002","16.275","0.004","19.621","0.005","73.484","0.004","81.053","0.004","87.93","0.004","2508","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 Co O7 S Si -","- C24 H27 Co O7 S Si -","- C96 H108 Co4 O28 S4 Si4 -","4","2","","Holland, Ryan L.; Bunker, Kevin D.; Chen, Christopher H.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Baldridge, Kim K.; O'Connor, Joseph M.","Reactions of a Metallacyclobutene Complex with Alkenes","Journal of the American Chemical Society","2008","130","31","10093","10095","10.1021/ja803701z","","","0.71073","MoKα","","0.0662","0.0456","","","0.1044","0.1143","","","","","","1.029","","","","has coordinates","219215","2020-10-21","18:00:00",""
"4108152","10.9095","0.0005","8.7279","0.0003","11.7292","0.0004","90","","93.999","0.002","90","","1114.1","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 N O6 S2 -","- C24 H23 N O6 S2 -","- C48 H46 N2 O12 S4 -","2","1","","Ana López-Pérez; Javier Adrio; Juan C. Carretero","Bis-Sulfonyl Ethylene as Masked Acetylene Equivalent in Catalytic Asymmetric [3 + 2] Cycloaddition of Azomethine Ylides","Journal of the American Chemical Society","2008","130","","10084","10085","10.1021/ja804021m","","","1.54178","CuKα","","0.0402","0.0385","","","0.0961","0.0975","","","","","","1.022","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108153","10.1333","0.0016","6.8285","0.0011","15.7143","0.0016","90","","90","","90","","1087.4","0.3","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H14 B N3 -","- C11 H14 B N3 -","- C44 H56 B4 N12 -","4","0.5","","Shau-Hua Ueng; Malika Makhlouf Brahmi; Étienne Derat; Louis Fensterbank; Emmanuel Lacôte; Max Malacria; Dennis P. Curran","Complexes of Borane and N-Heterocyclic Carbenes: A New Class of Radical Hydrogen Atom Donor","Journal of the American Chemical Society","2008","130","","10082","10083","10.1021/ja804150k","","","0.71073","MoKα","","0.0922","0.0441","","","0.0981","0.1191","","","","","","1.044","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108154","10.714","0.003","12.387","0.004","17.28","0.005","90","","107.576","0.004","90","","2186.2","1.1","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Platinum complex","Platinum complex","","- C25 H27 B N2 Pt -","- C25 H27 B N2 Pt -","- C100 H108 B4 N8 Pt4 -","4","1","","Eugene Khaskin; Peter Y. Zavalij; Andrei N. Vedernikov","Bidirectional Transfer of Phenyl and Methyl Groups between PtIV and Boron in Platinum Dipyridylborato Complexes","Journal of the American Chemical Society","2008","130","","10088","10089","10.1021/ja804222c","","","0.71073","MoKα","","0.0217","0.0179","","","0.0399","0.0412","","","","","","1","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108155","8.9464","0.0013","10.5473","0.0016","23.542","0.004","90.097","0.002","99.641","0.002","93.501","0.002","2185.8","0.6","220","2","220","2","","","","","","","","5","P -1","-P 1","2","Platinum complex","Platinum complex","","- C25 H27 B N2 Pt -","- C25 H27 B N2 Pt -","- C100 H108 B4 N8 Pt4 -","4","2","","Eugene Khaskin; Peter Y. Zavalij; Andrei N. Vedernikov","Bidirectional Transfer of Phenyl and Methyl Groups between PtIV and Boron in Platinum Dipyridylborato Complexes","Journal of the American Chemical Society","2008","130","","10088","10089","10.1021/ja804222c","","","0.71073","MoKα","","0.0433","0.0281","","","0.0633","0.0696","","","","","","1","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108156","19.4008","0.0006","15.457","0.0005","16.073","0.0005","90","","93.2608","0.0004","90","","4812.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pt-complex","Pt-complex","","- C27 H31 B N2 O Pt -","- C27 H31 B N2 O Pt -","- C216 H248 B8 N16 O8 Pt8 -","8","2","","Eugene Khaskin; Peter Y. Zavalij; Andrei N. Vedernikov","Bidirectional Transfer of Phenyl and Methyl Groups between PtIV and Boron in Platinum Dipyridylborato Complexes","Journal of the American Chemical Society","2008","130","","10088","10089","10.1021/ja804222c","","","0.71073","MoKα","","0.0239","0.0206","","","0.0453","0.0461","","","","","","1","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108157","16.516","0.006","12.874","0.004","17.54","0.006","90","","90.255","0.005","90","","3729","2","156","2","156","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C34 H54 Al Si3 U -","- C34 H54 Al Si3 U -","- C136 H216 Al4 Si12 U4 -","4","2","","Stefan G. Minasian; Jamin L. Krinsky; Valerie A. Williams; John Arnold","A Heterobimetallic Complex With an Unsupported Uranium(III)-Aluminum(I) Bond: (CpSiMe3)3U-AlCp* (Cp* = C5Me5)","Journal of the American Chemical Society","2008","130","","10086","10087","10.1021/ja8042382","","","0.71073","MoKα","","0.061","0.0372","","","0.0577","0.0604","","","","","","0.664","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108158","30.3344","0.0004","49.5012","0.0007","29.0565","0.0004","90","","96.785","0.001","90","","43325.4","1","35","2","35","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- H488 Mo138 N40 O584 -","- Mo138 O624 -","- Mo276 O1248 -","2","0.25","","Sayaka Shishido; Tomoji Ozeki","The pH Dependent Nuclearity Variation of {Mo154-x}-type Polyoxomolybdates and Tectonic Effect on Their Aggregations","Journal of the American Chemical Society","2008","130","","10588","10595","10.1021/ja800784a","","","0.689","synchrotron","","0.0978","0.0672","","","0.2125","0.2273","","","","","","1.04","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108159","26.9098","0.0006","42.9546","0.0014","29.485","0.0009","90","","94.283","0.001","90","","33986.5","1.7","123","2","123","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- H412 Mo138 N40 O546 -","- Mo138 O586 -","- Mo276 O1172 -","2","0.25","","Sayaka Shishido; Tomoji Ozeki","The pH Dependent Nuclearity Variation of {Mo154-x}-type Polyoxomolybdates and Tectonic Effect on Their Aggregations","Journal of the American Chemical Society","2008","130","","10588","10595","10.1021/ja800784a","","","0.689","synchrotron","","0.1237","0.0695","","","0.1987","0.2343","","","","","","1.032","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108160","27.7619","0.0005","42.6994","0.001","30.2459","0.0007","90","","95.858","0.001","90","","35666.8","1.3","123","2","123","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- H396 Mo138 N28 O556 -","- Mo138 O584 -","- Mo276 O1168 -","2","0.25","","Sayaka Shishido; Tomoji Ozeki","The pH Dependent Nuclearity Variation of {Mo154-x}-type Polyoxomolybdates and Tectonic Effect on Their Aggregations","Journal of the American Chemical Society","2008","130","","10588","10595","10.1021/ja800784a","","","0.689","synchrotron","","0.1149","0.063","","","0.1922","0.2081","","","","","","0.99","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108161","42.148","0.004","40.138","0.005","26.191","0.003","90","","69.62","0.004","90","","41535","8","35","2","35","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- H308 Mo142 N28 O524 -","- Mo142 O552 -","- Mo284 O1104 -","2","0.25","","Sayaka Shishido; Tomoji Ozeki","The pH Dependent Nuclearity Variation of {Mo154-x}-type Polyoxomolybdates and Tectonic Effect on Their Aggregations","Journal of the American Chemical Society","2008","130","","10588","10595","10.1021/ja800784a","","","0.689","synchrotron","","0.2349","0.1201","","","0.3395","0.3932","","","","","","1.029","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108162","42.0599","0.0007","40.045","0.0005","22.545","0.0003","90","","94.587","0.001","90","","37850.7","0.9","123","2","123","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- H598 Mo142 N40 O651 -","- Mo142 O691 -","- Mo284 O1382 -","2","0.25","","Sayaka Shishido; Tomoji Ozeki","The pH Dependent Nuclearity Variation of {Mo154-x}-type Polyoxomolybdates and Tectonic Effect on Their Aggregations","Journal of the American Chemical Society","2008","130","","10588","10595","10.1021/ja800784a","","","0.689","synchrotron","","0.0726","0.0564","","","0.1828","0.2055","","","","","","1.071","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108163","59.1887","0.0005","47.1521","0.0005","31.864","0.0003","90","","70.305","0.001","90","","83726","1.5","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H411 Mo148 N27 O595 -","- Mo148 O622 -","- Mo592 O2488 -","4","0.5","","Sayaka Shishido; Tomoji Ozeki","The pH Dependent Nuclearity Variation of {Mo154-x}-type Polyoxomolybdates and Tectonic Effect on Their Aggregations","Journal of the American Chemical Society","2008","130","","10588","10595","10.1021/ja800784a","","","0.689","synchrotron","","0.1475","0.0838","","","0.2469","0.2744","","","","","","1.002","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108164","33.4487","0.0005","53.5509","0.001","26.6741","0.0005","90","","72.8254","0.001","90","","45648.4","1.4","123","2","123","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- H545 Mo150 N35 O656 -","- Mo150 O691 -","- Mo300 O1382 -","2","0.25","","Sayaka Shishido; Tomoji Ozeki","The pH Dependent Nuclearity Variation of {Mo154-x}-type Polyoxomolybdates and Tectonic Effect on Their Aggregations","Journal of the American Chemical Society","2008","130","","10588","10595","10.1021/ja800784a","","","0.689","synchrotron","","0.1136","0.0743","","","0.2354","0.2826","","","","","","1.033","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108165","30.163","0.0005","34.0804","0.0004","46.7339","0.0007","93.9918","0.0007","94.4527","0.0009","95.37","0.001","47542.5","1.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- H978.5 Mo151 N26.25 O628.75 -","- Mo151 O655 -","- Mo302 O1310 -","2","1","","Sayaka Shishido; Tomoji Ozeki","The pH Dependent Nuclearity Variation of {Mo154-x}-type Polyoxomolybdates and Tectonic Effect on Their Aggregations","Journal of the American Chemical Society","2008","130","","10588","10595","10.1021/ja800784a","","","0.689","synchrotron","","0.1693","0.1209","","","0.3592","0.4008","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108166","17.3241","0.0006","13.0746","0.0006","21.2901","0.0008","90","","100.834","0.003","90","","4736.4","0.3","180","2","180","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 F6 O8 P4 Pd2 S2 -","- C40 H64 F6 O8 P4 Pd2 S2 -","- C160 H256 F24 O32 P16 Pd8 S8 -","4","1","","Miguel Baya; Jennifer Houghton; Denes Konya; Yohan Champouret; Jean-Claude Daran; Karina Q. Almeida Leñero; Lodewijk Schoon; Wilhelmus P. Mul; A. Bart van Oort; Nicolaas Meijboom; Eite Drent; A. Guy Orpen; Rinaldo Poli","Pd(I) Phosphine Carbonyl and Hydride Complexes Implicated in the Palladium-Catalyzed Oxo Process","Journal of the American Chemical Society","2008","130","","10612","10624","10.1021/ja8012903","","","0.71073","MoKα","","0.0577","0.0509","","","0.115","0.1203","","","","","","1.08","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108167","23.452","0.003","23.452","0.003","10.6808","0.0015","90","","90","","120","","5087.4","1.2","173","2","173","2","","","","","","","synthesis as described","7","P 63","P 6c","173","","","","- C56 H96 F6 O6 P6 Pd3 S2 -","- C56 H96 F6 O6 P6 Pd3 S2 -","- C168 H288 F18 O18 P18 Pd9 S6 -","3","0.5","","Miguel Baya; Jennifer Houghton; Denes Konya; Yohan Champouret; Jean-Claude Daran; Karina Q. Almeida Leñero; Lodewijk Schoon; Wilhelmus P. Mul; A. Bart van Oort; Nicolaas Meijboom; Eite Drent; A. Guy Orpen; Rinaldo Poli","Pd(I) Phosphine Carbonyl and Hydride Complexes Implicated in the Palladium-Catalyzed Oxo Process","Journal of the American Chemical Society","2008","130","","10612","10624","10.1021/ja8012903","","","0.71073","MoKα","","0.0888","0.0752","","","0.1853","0.1907","","","","","","1.106","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108168","44.5742","0.0018","11.356","0.0007","23.1131","0.0012","90","","100.165","0.004","90","","11515.9","1","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H33 F6 O8.5 P2 Pd S2 -","- C20 H33 F6 O8.5 P2 Pd S2 -","- C320 H528 F96 O136 P32 Pd16 S32 -","16","2","","Miguel Baya; Jennifer Houghton; Denes Konya; Yohan Champouret; Jean-Claude Daran; Karina Q. Almeida Leñero; Lodewijk Schoon; Wilhelmus P. Mul; A. Bart van Oort; Nicolaas Meijboom; Eite Drent; A. Guy Orpen; Rinaldo Poli","Pd(I) Phosphine Carbonyl and Hydride Complexes Implicated in the Palladium-Catalyzed Oxo Process","Journal of the American Chemical Society","2008","130","","10612","10624","10.1021/ja8012903","","","0.71073","MoKα","","0.0663","0.0486","","","0.1243","0.1363","","","","","","1.059","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108169","9.9583","0.0003","10.4988","0.0003","15.7961","0.0004","90","","98.407","0.002","90","","1633.74","0.08","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 Au2 N4 Zn -","- C4 Au2 N4 Zn -","- C32 Au16 N32 Zn8 -","8","1","","Michael J. Katz; Taramatee Ramnial; Hua-Zhong Yu; Daniel B. Leznoff","Polymorphism of Zn[Au(CN)2]2 and Its Luminescent Sensory Response to NH3 Vapor","Journal of the American Chemical Society","2008","130","","10662","10673","10.1021/ja801773p","","","0.71073","MoKα","","0.0645","0.0358","","0.0611","0.0553","0.0543","","","","","","1.2462","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108170","8.9006","0.0001","16.8152","0.0002","14.3808","0.0002","90","","100.6","0.001","90","","2115.58","0.05","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 Au2 N4 Zn -","- C4 Au2 N4 Zn -","- C32 Au16 N32 Zn8 -","8","1","","Michael J. Katz; Taramatee Ramnial; Hua-Zhong Yu; Daniel B. Leznoff","Polymorphism of Zn[Au(CN)2]2 and Its Luminescent Sensory Response to NH3 Vapor","Journal of the American Chemical Society","2008","130","","10662","10673","10.1021/ja801773p","","","0.71073","MoKα","","0.0599","0.0435","","0.0661","0.0574","0.0563","","","","","","1.1415","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108171","8.262","0.005","12.264","0.005","13.394","0.004","100.215","0.03","95.23","0.04","104.52","0.04","1279.8","1.1","30","1","30","1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H44 B Ir O2 P2 -","- C22 H44 B Ir O2 P2 -","- C44 H88 B2 Ir2 O4 P4 -","2","1","","Travis J. Hebden; Melanie C. Denney; Vincent Pons; Paula M. B. Piccoli; Thomas F. Koetzle; Arthur J. Schultz; Werner Kaminsky; Karen I. Goldberg; D. Michael Heinekey","σ-Borane Complexes of Iridium: Synthesis and Structural Characterization","Journal of the American Chemical Society","2008","130","","10812","10820","10.1021/ja801898m","powder diffraction","neutron","","neutron","","0.197","0.186","","","","0.189","","","2.54","","","2.54","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4108172","41.2238","0.0002","11.1233","0.0002","14.6122","0.0003","90","","90.3735","0.0006","90","","6700.2","0.19","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","TJHI82Ax1","TJHI82Ax1","","- C60 H112 B2 Ir2 O9 P4 -","- C60 H112 B2 Ir2 O9 P4 -","- C240 H448 B8 Ir8 O36 P16 -","4","0.5","","Travis J. Hebden; Melanie C. Denney; Vincent Pons; Paula M. B. Piccoli; Thomas F. Koetzle; Arthur J. Schultz; Werner Kaminsky; Karen I. Goldberg; D. Michael Heinekey","σ-Borane Complexes of Iridium: Synthesis and Structural Characterization","Journal of the American Chemical Society","2008","130","","10812","10820","10.1021/ja801898m","","","0.71073","MoKα","","0.0656","0.0501","","","0.1195","0.1313","","","","","","1.077","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108173","15.4564","0.0006","22.1904","0.001","7.4161","0.0002","90","","90","","90","","2543.6","0.17","160","1","160","1","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C38 H22 -","- C38 H22 -","- C152 H88 -","4","1","","Yao-Ting Wu; Davide Bandera; Roman Maag; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Multiethynyl Corannulenes: Synthesis, Structure, and Properties","Journal of the American Chemical Society","2008","130","","10729","10739","10.1021/ja802334n","","","0.71073","MoKα","","0.0656","0.0433","","","0.0947","0.1059","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108174","7.4846","0.0005","43.341","0.003","13.6837","0.001","90","","90","","90","","4438.9","0.5","260","1","260","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C60 H45 O1.5 -","- C60 H42 -","- C240 H168 -","4","0.5","","Yao-Ting Wu; Davide Bandera; Roman Maag; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Multiethynyl Corannulenes: Synthesis, Structure, and Properties","Journal of the American Chemical Society","2008","130","","10729","10739","10.1021/ja802334n","","","0.71073","MoKα","","0.1236","0.0819","","","0.2341","0.2663","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108175","33.4143","0.0012","7.8392","0.0003","41.0964","0.0016","90","","109.877","0.0008","90","","10123.5","0.7","260","1","260","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C70 H50 -","- C70 H50 -","- C560 H400 -","8","2","","Yao-Ting Wu; Davide Bandera; Roman Maag; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Multiethynyl Corannulenes: Synthesis, Structure, and Properties","Journal of the American Chemical Society","2008","130","","10729","10739","10.1021/ja802334n","","","0.71073","MoKα","","0.153","0.0635","","","0.1356","0.1798","","","","","","1.026","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108176","17.8356","0.0005","22.9372","0.0007","3.8032","0.0001","90","","90","","90","","1555.88","0.08","160","1","160","1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H6 Br4 -","- C20 H6 Br4 -","- C80 H24 Br16 -","4","1","","Yao-Ting Wu; Davide Bandera; Roman Maag; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Multiethynyl Corannulenes: Synthesis, Structure, and Properties","Journal of the American Chemical Society","2008","130","","10729","10739","10.1021/ja802334n","","","0.71073","MoKα","","0.0523","0.0354","","","0.0693","0.0749","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108177","9.7017","0.0005","17.8773","0.0011","16.4921","0.0009","90","","92.371","0.002","90","","2857.9","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","phenyltris-(1-tert-butyl-imidazol-2-ylidene)boratoiron(ii)chloride","","- C27 H38 B Cl Fe N6 -","- C27 H38 B Cl Fe N6 -","- C108 H152 B4 Cl4 Fe4 N24 -","4","1","","Jeremiah J. Scepaniak; Meita D. Fulton; Ranko P. Bontchev; Eileen N. Duesler; Martin L. Kirk; Jeremy M. Smith","Structural and Spectroscopic Characterization of an Electrophilic Iron Nitrido Complex","Journal of the American Chemical Society","2008","130","","10515","10517","10.1021/ja8027372","","","0.71073","MoKα","","0.0491","0.0361","","","0.0915","0.1127","","","","","","1.193","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108178","18.1318","0.0006","18.1789","0.0006","18.3767","0.0006","90","","90","","90","","6057.3","0.3","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H41 B Fe N8 -","- C29 H41 B Fe N8 -","- C232 H328 B8 Fe8 N64 -","8","1","","Jeremiah J. Scepaniak; Meita D. Fulton; Ranko P. Bontchev; Eileen N. Duesler; Martin L. Kirk; Jeremy M. Smith","Structural and Spectroscopic Characterization of an Electrophilic Iron Nitrido Complex","Journal of the American Chemical Society","2008","130","","10515","10517","10.1021/ja8027372","","","0.71073","MoKα","","0.0632","0.0378","","","0.0953","0.1108","","","","","","1","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108179","14.2125","0.001","14.4329","0.001","20.4911","0.0014","91.653","0.004","97.227","0.004","91.83","0.004","4165.5","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","Triphenylphosphamidophenyltris(1-mesitylimidazol-2-ylidene)boratoiron(II).","","- C180 H212 B4 Fe4 N28 P4 -","- C180 H212 B4 Fe4 N28 P4 -","- C180 H212 B4 Fe4 N28 P4 -","1","0.5","","Jeremiah J. Scepaniak; Meita D. Fulton; Ranko P. Bontchev; Eileen N. Duesler; Martin L. Kirk; Jeremy M. Smith","Structural and Spectroscopic Characterization of an Electrophilic Iron Nitrido Complex","Journal of the American Chemical Society","2008","130","","10515","10517","10.1021/ja8027372","","","0.71073","MoKα","","0.0447","0.0359","","","0.0997","0.1186","","","","","","1.173","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108180","15.2582","0.0018","15.2582","0.0018","6.6579","0.0009","90","","90","","120","","1342.4","0.3","291","2","291","2","","","","","","","","6","P 3","P 3","143","","","","- C33 H66 Br8 Cu8 N6 O3 -","- C33 H66 Br8 Cu8 N6 O3 -","- C33 H66 Br8 Cu8 N6 O3 -","1","0.333333","","Wen Zhang; Ren-Gen Xiong; Songping D. Huang","3D Framework Containing Cu4Br4 Cubane as Connecting Node with Strong Ferroelectricity","Journal of the American Chemical Society","2008","130","","10468","10469","10.1021/ja803021v","","","0.71073","MoKα","","0.0601","0.0482","","","0.0956","0.098","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108181","28.8303","0.0002","28.8303","0.0002","110.4313","0.0009","90","","90","","120","","79491.6","1","200","2","200","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C255 H552 Cl12 Fe64 N32 O327 -","- C255 Cl12.02 Fe64 N32 O327.05 -","- C1530 Cl72.12 Fe384 N192 O1962.3 -","6","0.166667","","Tao Liu; Yan-Juan Zhang; Zhe-Ming Wang; Song Gao","A 64-Nuclear Cubic Cage Incorporating Propeller-like FeIII8 Apices and HCOO- Edges","Journal of the American Chemical Society","2008","130","","10500","10501","10.1021/ja803846z","","","0.71073","MoKα","","0.1141","0.0607","","","0.1634","0.1897","","","","","","0.971","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108182","20.5536","0.0004","20.5536","0.0004","34.614","0.001","90","","90","","120","","12663.6","0.5","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C51 H109 Cl3 Fe8 N7 O45.5 -","- C51 H108 Cl3 Fe8 N7 O45.5 -","- C306 H648 Cl18 Fe48 N42 O273 -","6","0.333333","","Tao Liu; Yan-Juan Zhang; Zhe-Ming Wang; Song Gao","A 64-Nuclear Cubic Cage Incorporating Propeller-like FeIII8 Apices and HCOO- Edges","Journal of the American Chemical Society","2008","130","","10500","10501","10.1021/ja803846z","","","0.71073","MoKα","","0.1142","0.0564","","","0.1471","0.1808","","","","","","1.006","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4108183","11.689","0.018","8.154","0.013","16.11","0.02","90","","94.01","0.02","90","","1532","4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H10 Br F6 O4 P -","- C11 H10 Br F6 O4 P -","- C44 H40 Br4 F24 O16 P4 -","4","2","","Joshua P. Abell; Hisashi Yamamoto","Catalytic Enantioselective Pudovik Reaction of Aldehydes and Aldimines with Tethered Bis(8-quinolinato) (TBOx) Aluminum Complex","Journal of the American Chemical Society","2008","130","","10521","10523","10.1021/ja803859p","","","0.71073","MoKα","","0.0636","0.0392","","","0.0842","0.0897","","","","","","0.896","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108184","9.4671","0.0009","6.2402","0.0008","12.0915","0.0012","90","","108.33","0.003","90","","678.08","0.13","173.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O -","- C19 H16 O -","- C38 H32 O2 -","2","1","","Koji Fukamizu; Yoshihiro Miyake; Yoshiaki Nishibayashi","Ruthenium-Catalyzed Enantioselective Carbon-Carbon Bond Forming Reaction via Allenylidene-Ene Process: Synthetic Approach to Chiral Heterocycles Such As Chromane, Thiochromane, and 1,2,3,4-Tetrahydroquinoline Derivatives","Journal of the American Chemical Society","2008","130","","10498","10499","10.1021/ja8038745","","","0.71075","MoKα","","","0.0699","","","","0.121","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108185","11.2974","0.0007","11.7303","0.0008","12.8223","0.0006","103.283","0.004","97.9031","0.0011","98.387","0.0016","1610.08","0.17","173.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C65 H74 Cl8 Ru2 S2 -","- C65 H74 Cl8 Ru2 S2 -","- C65 H74 Cl8 Ru2 S2 -","1","1","","Koji Fukamizu; Yoshihiro Miyake; Yoshiaki Nishibayashi","Ruthenium-Catalyzed Enantioselective Carbon-Carbon Bond Forming Reaction via Allenylidene-Ene Process: Synthetic Approach to Chiral Heterocycles Such As Chromane, Thiochromane, and 1,2,3,4-Tetrahydroquinoline Derivatives","Journal of the American Chemical Society","2008","130","","10498","10499","10.1021/ja8038745","","","0.71069","MoKα","","","0.0341","","","","0.0566","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108186","9.9845","0.0009","20.7418","0.0015","25.4506","0.0019","90","","90","","90","","5270.7","0.7","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Cl O -","- C23 H17 Cl O -","- C276 H204 Cl12 O12 -","12","3","","Koji Fukamizu; Yoshihiro Miyake; Yoshiaki Nishibayashi","Ruthenium-Catalyzed Enantioselective Carbon-Carbon Bond Forming Reaction via Allenylidene-Ene Process: Synthetic Approach to Chiral Heterocycles Such As Chromane, Thiochromane, and 1,2,3,4-Tetrahydroquinoline Derivatives","Journal of the American Chemical Society","2008","130","","10498","10499","10.1021/ja8038745","","","0.71075","MoKα","","","0.0426","","","","0.2058","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108187","12.1159","0.0002","16.7643","0.0003","17.162","0.0004","89.461","0.001","72.917","0.001","71.945","0.001","3155.18","0.11","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H68 Cl5 N3 O12 S3 -","- C61 H68 Cl5 N3 O12 S3 -","- C122 H136 Cl10 N6 O24 S6 -","2","1","","Dong-Gyu Cho; Patrick Plitt; Sung Kuk Kim; Vincent Lynch; Seong-Jin Hong; Chang-Hee Lee; Jonathan L. Sessler","Dioxabenzosapphyrin: A New Benzodifuran-Derived Sapphyrin Analogue","Journal of the American Chemical Society","2008","130","","10502","10503","10.1021/ja804090w","","","0.71073","MoKα","","0.1761","0.0773","","","0.1503","0.189","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108188","10.1937","0.0017","14.149","0.002","13.872","0.002","90","","101.328","0.002","90","","1961.8","0.5","123.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 B Cl N8 O Ru -","- C17 H18 B Cl N8 O Ru -","- C68 H72 B4 Cl4 N32 O4 Ru4 -","4","1","","Yasuhiro Arikawa; Taiki Asayama; Kazuki Itatani; Masayoshi Onishi","N-C Bond Formation of NO Ligands on Ruthenium Complexes with Concurrent Vinylic C-H Activation and Subsequent Proton-Induced Reactivities of the Resulting Nitrosovinyl Species","Journal of the American Chemical Society","2008","130","","10508","10509","10.1021/ja804095u","","","0.7107","MoKα","","","0.0259","","","","0.0769","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108189","9.8644","0.0005","19.8973","0.0009","14.6625","0.0008","90","","106.73","0.0005","90","","2756.1","0.2","296.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 B Cl N8 O Ru -","- C24 H15 B Cl N8 O Ru -","- C96 H60 B4 Cl4 N32 O4 Ru4 -","4","1","","Yasuhiro Arikawa; Taiki Asayama; Kazuki Itatani; Masayoshi Onishi","N-C Bond Formation of NO Ligands on Ruthenium Complexes with Concurrent Vinylic C-H Activation and Subsequent Proton-Induced Reactivities of the Resulting Nitrosovinyl Species","Journal of the American Chemical Society","2008","130","","10508","10509","10.1021/ja804095u","","","0.7107","MoKα","","","0.0419","","","","0.1244","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108190","9.923","0.004","12.622","0.005","13.472","0.005","69.01","0.02","70.12","0.02","66.72","0.02","1407.8","1","296.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C20 H26 B2 Cl2 F4 N8 O3 Ru -","- C20 H24 B2 Cl2 F4 N8 O3 Ru -","- C40 H48 B4 Cl4 F8 N16 O6 Ru2 -","2","1","","Yasuhiro Arikawa; Taiki Asayama; Kazuki Itatani; Masayoshi Onishi","N-C Bond Formation of NO Ligands on Ruthenium Complexes with Concurrent Vinylic C-H Activation and Subsequent Proton-Induced Reactivities of the Resulting Nitrosovinyl Species","Journal of the American Chemical Society","2008","130","","10508","10509","10.1021/ja804095u","","","0.7107","MoKα","","","0.0584","","","","0.1533","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108191","15.9983","0.001","13.3268","0.0007","16.9705","0.0011","90","","100.218","0.001","90","","3560.8","0.4","296.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H32 B Cl N8 P Ru -","- C37 H32 B Cl N8 P Ru -","- C148 H128 B4 Cl4 N32 P4 Ru4 -","4","2","","Yasuhiro Arikawa; Taiki Asayama; Kazuki Itatani; Masayoshi Onishi","N-C Bond Formation of NO Ligands on Ruthenium Complexes with Concurrent Vinylic C-H Activation and Subsequent Proton-Induced Reactivities of the Resulting Nitrosovinyl Species","Journal of the American Chemical Society","2008","130","","10508","10509","10.1021/ja804095u","","","0.7107","MoKα","","","0.0454","","","","0.1181","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108192","13.055","0.001","21.179","0.002","21.966","0.002","90","","90","","90","","6073.4","0.9","293","2","293","2","","","","","","","","7","F m m m","-F 2 2","69","","","","- C13 H27 Co Mo11 N8 O44 P -","- C13 H20 Co Mo11 N8 O44 P -","- C52 H80 Co4 Mo44 N32 O176 P4 -","4","0.125","","Guanggang Gao; Fengyan Li; Lin Xu; Xizheng Liu; Yanyan Yang","CO2 Coordination by Inorganic Polyoxoanion in Water","Journal of the American Chemical Society","2008","130","","10838","10839","10.1021/ja801560t","","","0.71073","MoKα","","0.0466","0.0387","","","0.103","0.1097","","","","","","1.011","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108193","13.039","0.001","21.333","0.002","21.889","0.002","90","","90","","90","","6088.7","0.9","293","2","293","2","","","","","","","","7","F m m m","-F 2 2","69","","","","- C13 H28 Co Mo11 N8 O44 Si -","- C13 H20 Co Mo11 N8 O44 Si -","- C52 H80 Co4 Mo44 N32 O176 Si4 -","4","0.125","","Guanggang Gao; Fengyan Li; Lin Xu; Xizheng Liu; Yanyan Yang","CO2 Coordination by Inorganic Polyoxoanion in Water","Journal of the American Chemical Society","2008","130","","10838","10839","10.1021/ja801560t","","","0.71073","MoKα","","0.0621","0.0561","","","0.1118","0.1383","","","","","","1.051","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108194","18.4923","0.0002","19.6458","0.0004","20.4339","0.0004","86.311","0.001","66.573","0.001","64.109","0.001","6074","0.2","173","0.1","173","0.1","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C245 H218 Cl8 Cu4 F24 N20 O32 P4 -","- C245 H218 Cl8 Cu4 F24 N20 O32 P4 -","- C245 H218 Cl8 Cu4 F24 N20 O32 P4 -","1","0.5","","Julien Frey; Christian Tock; Jean-Paul Collin; Valérie Heitz; Jean-Pierre Sauvage; Kari Rissanen","Cyclic [2]Pseudorotaxane Tetramers Consisting of Two Rigid Rods Threaded through Two Bis-Macrocycles: Copper(I)-Templated Synthesis and X-ray Structure Studies","Journal of the American Chemical Society","2008","130","","11013","11022","10.1021/ja801924y","","x-ray","0.71073","MoKα","","0.1656","0.1149","","","0.3003","0.3531","","","","","","1.093","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108195","18.5429","0.0018","7.2296","0.0007","28.476","0.003","90","","90","","90","","3817.4","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H31 Cl N2 O2 -","- C18 H31 Cl N2 O2 -","- C144 H248 Cl8 N16 O16 -","8","1","","Hiyam Hamaed; Jenna M. Pawlowski; Benjamin F.T. Cooper; Riqiang Fu; S. Holger Eichhorn; Robert W. Schurko","Application of Solid-State 35Cl NMR to the Structural Characterization of Hydrochloride Pharmaceuticals and their Polymorphs","Journal of the American Chemical Society","2008","130","","11056","11065","10.1021/ja802486q","","","0.71073","MoKα","","0.1342","0.0808","","","0.1671","0.197","","","","","","1.173","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108196","8.391","0.002","7.015","0.0017","26.163","0.006","90","","91.414","0.003","90","","1539.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 Cl N2 O2 -","- C14 H25 Cl N2 O2 -","- C56 H100 Cl4 N8 O8 -","4","1","","Hiyam Hamaed; Jenna M. Pawlowski; Benjamin F.T. Cooper; Riqiang Fu; S. Holger Eichhorn; Robert W. Schurko","Application of Solid-State 35Cl NMR to the Structural Characterization of Hydrochloride Pharmaceuticals and their Polymorphs","Journal of the American Chemical Society","2008","130","","11056","11065","10.1021/ja802486q","","","0.71073","MoKα","","0.1897","0.1396","","","0.269","0.2812","","","","","","1.457","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108197","14.009","0.002","8.2472","0.0012","24.853","0.004","90","","90","","90","","2871.4","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H21 Cl N2 O2 -","- C13 H21 Cl N2 O2 -","- C104 H168 Cl8 N16 O16 -","8","1","","Hiyam Hamaed; Jenna M. Pawlowski; Benjamin F.T. Cooper; Riqiang Fu; S. Holger Eichhorn; Robert W. Schurko","Application of Solid-State 35Cl NMR to the Structural Characterization of Hydrochloride Pharmaceuticals and their Polymorphs","Journal of the American Chemical Society","2008","130","","11056","11065","10.1021/ja802486q","","","0.71073","MoKα","","0.0621","0.0428","","","0.1161","0.1231","","","","","","1.089","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108198","7.3436","0.001","8.5082","0.0012","13.634","0.0019","105.542","0.001","91.863","0.001","99.581","0.001","806.6","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H25 Cl N2 O2 -","- C15 H25 Cl N2 O2 -","- C30 H50 Cl2 N4 O4 -","2","1","","Hiyam Hamaed; Jenna M. Pawlowski; Benjamin F.T. Cooper; Riqiang Fu; S. Holger Eichhorn; Robert W. Schurko","Application of Solid-State 35Cl NMR to the Structural Characterization of Hydrochloride Pharmaceuticals and their Polymorphs","Journal of the American Chemical Society","2008","130","","11056","11065","10.1021/ja802486q","","","0.71073","MoKα","","0.0677","0.0599","","","0.1399","0.1462","","","","","","1.239","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108199","9.801","0.002","6.4441","0.0013","21.491","0.004","90","","97.21","0.03","90","","1346.6","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H38 O4 -","- C31 H38 O4 -","- C62 H76 O8 -","2","1","","K. C. Nicolaou; T. Robert Wu; David Sarlah; David M. Shaw; Eric Rowcliffe; Dennis R. Burton","Total Synthesis, Revised Structure, and Biological Evaluation of Biyouyanagin A and Analogues Thereof","Journal of the American Chemical Society","2008","130","","11114","11121","10.1021/ja802805c","","","0.71073","MoKα","","0.089","0.0625","","","0.1247","0.1346","","","","","","1.074","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108200","6.9407","0.0014","10.272","0.002","19.15","0.004","99.51","0.03","90.95","0.03","99.87","0.03","1325.2","0.5","153","2","153","2","","","","","","","","3","P 1","P 1","1","","","","- C31 H38 O4 -","- C31 H38 O4 -","- C62 H76 O8 -","2","2","","K. C. Nicolaou; T. Robert Wu; David Sarlah; David M. Shaw; Eric Rowcliffe; Dennis R. Burton","Total Synthesis, Revised Structure, and Biological Evaluation of Biyouyanagin A and Analogues Thereof","Journal of the American Chemical Society","2008","130","","11114","11121","10.1021/ja802805c","","","0.71073","MoKα","","0.1242","0.0855","","","0.161","0.1794","","","","","","1.067","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108201","9.84","0.002","6.75","0.0013","18.509","0.004","90","","104.63","0.03","90","","1189.5","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H32 O4 -","- C26 H32 O4 -","- C52 H64 O8 -","2","1","","K. C. Nicolaou; T. Robert Wu; David Sarlah; David M. Shaw; Eric Rowcliffe; Dennis R. Burton","Total Synthesis, Revised Structure, and Biological Evaluation of Biyouyanagin A and Analogues Thereof","Journal of the American Chemical Society","2008","130","","11114","11121","10.1021/ja802805c","","","0.71073","MoKα","","0.1175","0.0743","","","0.1523","0.1693","","","","","","1.113","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108202","6.3993","0.0009","6.3993","0.0009","36.513","0.007","90","","90","","90","","1495.2","0.4","296","2","296","2","","","","","","","","3","P 43","P 4cw","78","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","K. C. Nicolaou; T. Robert Wu; David Sarlah; David M. Shaw; Eric Rowcliffe; Dennis R. Burton","Total Synthesis, Revised Structure, and Biological Evaluation of Biyouyanagin A and Analogues Thereof","Journal of the American Chemical Society","2008","130","","11114","11121","10.1021/ja802805c","","","0.71073","MoKα","","0.0886","0.0702","","","0.1456","0.153","","","","","","1.244","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108203","7.1676","0.0014","14.586","0.003","21.276","0.004","90","","90","","90","","2224.3","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 N2 O9 -","- C23 H20 N2 O9 -","- C92 H80 N8 O36 -","4","1","","K. C. Nicolaou; T. Robert Wu; David Sarlah; David M. Shaw; Eric Rowcliffe; Dennis R. Burton","Total Synthesis, Revised Structure, and Biological Evaluation of Biyouyanagin A and Analogues Thereof","Journal of the American Chemical Society","2008","130","","11114","11121","10.1021/ja802805c","","","0.71073","MoKα","","0.0479","0.045","","","0.1039","0.1053","","","","","","1.173","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108204","10.971","0.002","7.6978","0.0015","11.741","0.002","90","","97.31","0.03","90","","983.5","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H22 O5 -","- C23 H22 O5 -","- C46 H44 O10 -","2","1","","K. C. Nicolaou; T. Robert Wu; David Sarlah; David M. Shaw; Eric Rowcliffe; Dennis R. Burton","Total Synthesis, Revised Structure, and Biological Evaluation of Biyouyanagin A and Analogues Thereof","Journal of the American Chemical Society","2008","130","","11114","11121","10.1021/ja802805c","","","0.71073","MoKα","","0.1132","0.0817","","","0.1359","0.1473","","","","","","1.185","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108205","9.6153","0.0019","11.973","0.002","23.881","0.005","90","","90","","90","","2749.3","0.9","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 O5 -","- C31 H40 O5 -","- C124 H160 O20 -","4","1","","K. C. Nicolaou; T. Robert Wu; David Sarlah; David M. Shaw; Eric Rowcliffe; Dennis R. Burton","Total Synthesis, Revised Structure, and Biological Evaluation of Biyouyanagin A and Analogues Thereof","Journal of the American Chemical Society","2008","130","","11114","11121","10.1021/ja802805c","","","0.71073","MoKα","","0.1153","0.0726","","","0.1098","0.1203","","","","","","1.089","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108206","15.6083","0.0004","15.6083","0.0004","76.462","0.005","90","","90","","120","","16132","1.2","150","2","150","2","","","","","","","M. Manoli MMD91","6","R -3 :H","-R 3","148","","","","- C88 H212 Br3 Mn10 N10 O25 -","- C39.97 H99.81 Br6.01 Mn10 N9.99 O24.97 -","- C239.82 H598.86 Br36.06 Mn60 N59.94 O149.82 -","6","0.333333","","Maria Manoli; Anna Collins; Simon Parsons; Andrea Candini; Marco Evangelisti; Euan K. Brechin","Mixed-Valent Mn Supertetrahedra and Planar Discs as Enhanced Magnetic Coolers","Journal of the American Chemical Society","2008","130","","11129","11139","10.1021/ja802829d","","","0.71073","MoKα","","0.0641","0.0464","","","0.1247","0.1305","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108207","15.82","0.0003","15.82","0.0003","77.614","0.003","90","","90","","120","","16822.2","0.8","150","","150","","","","","","","","Maria Manoli, MMD208","6","R -3 :H","-R 3","148","","","","- C70 H169.8 I7.2 Mn10 N10 O25.8 -","- C40 H99.7998 I5.2 Mn10 N9.9999 O25.8001 -","- C240 H598.799 I31.2 Mn60 N59.9994 O154.801 -","6","0.333333","","Maria Manoli; Anna Collins; Simon Parsons; Andrea Candini; Marco Evangelisti; Euan K. Brechin","Mixed-Valent Mn Supertetrahedra and Planar Discs as Enhanced Magnetic Coolers","Journal of the American Chemical Society","2008","130","","11129","11139","10.1021/ja802829d","","","0.71073","MoKα","","0.143","0.0779","","0.1548","0.0812","0.0812","","","","","","1.0139","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108208","25.6712","0.001","17.0984","0.0007","26.2611","0.0011","90","","96.036","0.002","90","","11463","0.8","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H162 I8 Mn10 N8 O38 -","- C40 H90 I8 Mn10 N8 O26 -","- C160 H360 I32 Mn40 N32 O104 -","4","1","","Maria Manoli; Anna Collins; Simon Parsons; Andrea Candini; Marco Evangelisti; Euan K. Brechin","Mixed-Valent Mn Supertetrahedra and Planar Discs as Enhanced Magnetic Coolers","Journal of the American Chemical Society","2008","130","","11129","11139","10.1021/ja802829d","","","0.71073","MoKα","","0.0992","0.058","","0.161","0.1296","0.161","","","","","","0.8972","","","","has coordinates,has disorder","178828","2020-10-21","18:00:00",""
"4108209","25.5208","0.0006","16.2775","0.0004","26.0702","0.0006","90","","90","","90","","10829.9","0.4","150","","150","","","","","","","","Maria Monoli, MME103","6","P b c n","-P 2n 2ab","60","","","","- C56 H148 I8 Mn10 N8 O32 -","- C48 H124 I8 Mn10 N8 O28 -","- C192 H496 I32 Mn40 N32 O112 -","4","0.5","","Maria Manoli; Anna Collins; Simon Parsons; Andrea Candini; Marco Evangelisti; Euan K. Brechin","Mixed-Valent Mn Supertetrahedra and Planar Discs as Enhanced Magnetic Coolers","Journal of the American Chemical Society","2008","130","","11129","11139","10.1021/ja802829d","","","0.71073","MoKα","","0.1123","0.0629","","0.1531","0.1398","0.1531","","","","","","0.8833","","","","has coordinates,has disorder","178828","2020-10-21","18:00:00",""
"4108210","13.1676","0.0004","22.4","0.0006","21.4912","0.0006","90","","91.92","0.002","90","","6335.4","0.3","150","","150","","","","","","","","M Manoli, MME102","4","P 1 21/n 1","-P 2yn","14","","","","- C29 I4 Mn7 O24 -","- C29 I4 Mn7 O24 -","- C116 I16 Mn28 O96 -","4","1","","Maria Manoli; Anna Collins; Simon Parsons; Andrea Candini; Marco Evangelisti; Euan K. Brechin","Mixed-Valent Mn Supertetrahedra and Planar Discs as Enhanced Magnetic Coolers","Journal of the American Chemical Society","2008","130","","11129","11139","10.1021/ja802829d","","","0.71073","MoKα","","0.2025","0.167","","0.3949","0.3676","0.3949","","","","","","1.0398","","","","has coordinates,has disorder","178828","2020-10-21","18:00:00",""
"4108211","28.272","0.012","5.075","0.002","37.126","0.015","90","","110.669","0.007","90","","4984","4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 N6 O21 S3 -","- C36 H30 N6 O18 -","- C144 H120 N24 O72 -","4","1","","Orion B. Berryman; Aaron C. Sather; Benjamin P. Hay; Jeffrey S. Meisner; Darren W. Johnson","Solution Phase Measurement of Both Weak σ and C-H...X-Hydrogen Bonding Interactions in Synthetic Anion Receptors","Journal of the American Chemical Society","2008","130","","10895","10897","10.1021/ja8035652","","","0.71073","MoKα","","0.1736","0.0857","","","0.2289","0.2637","","","","","","0.946","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108212","5.6949","0.0012","19.833","0.004","33.883","0.007","84.106","0.004","85.278","0.005","81.873","0.005","3759.6","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H30 N6 O18 -","- C36 H30 N6 O18 -","- C144 H120 N24 O72 -","4","2","","Orion B. Berryman; Aaron C. Sather; Benjamin P. Hay; Jeffrey S. Meisner; Darren W. Johnson","Solution Phase Measurement of Both Weak σ and C-H...X-Hydrogen Bonding Interactions in Synthetic Anion Receptors","Journal of the American Chemical Society","2008","130","","10895","10897","10.1021/ja8035652","","","0.71073","MoKα","","0.109","0.0566","","","0.1135","0.1436","","","","","","1.007","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108213","11.9572","0.0008","6.0501","0.0004","16.5672","0.0014","90","","110.727","0.004","90","","1120.94","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","TRN-4-128-44","","","- C23 H25 I N3 O4 -","- C23 H25 I N3 O4 -","- C46 H50 I2 N6 O8 -","2","1","","Timothy Newhouse; Phil S. Baran","Total Synthesis of (\±)-Psychotrimine","Journal of the American Chemical Society","2008","130","","10886","10887","10.1021/ja8042307","","","1.54178","CuKα","","0.0299","0.0283","","","0.072","0.0727","","","","","","1.024","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4108214","10.831","0.0014","11.5758","0.0015","12.4242","0.0016","85.161","0.002","75.771","0.003","83.546","0.003","1497.8","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H39 B F P -","- C37 H39 B F P -","- C74 H78 B2 F2 P2 -","2","1","","Todd W. Hudnall; Young-Min Kim; Magnus W. P. Bebbington; Didier Bourissou; François P. Gabbaï","Fluoride Ion Chelation By a Bidentate Phosphonium/Borane Lewis Acid","Journal of the American Chemical Society","2008","130","","10890","10891","10.1021/ja804492y","","","0.71073","MoKα","","0.0698","0.0463","","","0.1065","0.1137","","","","","","1.008","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108215","17.29","0.002","8.6503","0.0012","23.517","0.003","90","","109.703","0.001","90","","3311.4","0.7","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H43 B I O P -","- C38 H43 B I O P -","- C152 H172 B4 I4 O4 P4 -","4","1","","Todd W. Hudnall; Young-Min Kim; Magnus W. P. Bebbington; Didier Bourissou; François P. Gabbaï","Fluoride Ion Chelation By a Bidentate Phosphonium/Borane Lewis Acid","Journal of the American Chemical Society","2008","130","","10890","10891","10.1021/ja804492y","","","0.71073","MoKα","","0.0314","0.0262","","","0.0789","0.0944","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108216","11.7586","0.0007","12.5994","0.0008","13.1209","0.0008","92.034","0.001","94.13","0.001","108.557","0.001","1834.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H53 Ir O P2 -","- C41 H53 Ir O P2 -","- C82 H106 Ir2 O2 P4 -","2","1","","Rajshekhar Ghosh; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Combined Experimental and Computational Studies on Carbon-Carbon Reductive Elimination from Bis(hydrocarbyl) Complexes of (PCP)Ir","Journal of the American Chemical Society","2008","130","","11317","11327","10.1021/ja800434r","","","0.71073","MoKα","","0.0306","0.0276","","","0.0721","0.074","","","","","","1.007","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108217","12.375","0.001","11.371","0.001","22.904","0.002","90","","91.821","0.002","90","","3221.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Ir O P2 -","- C34 H48 Ir O P2 -","- C136 H192 Ir4 O4 P8 -","4","1","","Rajshekhar Ghosh; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Combined Experimental and Computational Studies on Carbon-Carbon Reductive Elimination from Bis(hydrocarbyl) Complexes of (PCP)Ir","Journal of the American Chemical Society","2008","130","","11317","11327","10.1021/ja800434r","","","0.71073","MoKα","","0.0622","0.0498","","","0.1239","0.1318","","","","","","1.002","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108218","10.7947","0.0006","11.3126","0.0006","15.4888","0.0008","106.138","0.002","97.056","0.001","110.11","0.001","1655.37","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H56 B F4 Ir O2 P2 -","- C29 H56 B F4 Ir O2 P2 -","- C58 H112 B2 F8 Ir2 O4 P4 -","2","1","","Rajshekhar Ghosh; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Combined Experimental and Computational Studies on Carbon-Carbon Reductive Elimination from Bis(hydrocarbyl) Complexes of (PCP)Ir","Journal of the American Chemical Society","2008","130","","11317","11327","10.1021/ja800434r","","","0.71073","MoKα","","0.0303","0.0275","","","0.063","0.0641","","","","","","1","","","","has coordinates,has disorder","178828","2020-10-21","18:00:00",""
"4108219","17.5108","0.001","17.3197","0.001","20.0351","0.0011","90","","90","","90","","6076.3","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H47 Br2 Ir P2 -","- C30 H47 Br2 Ir P2 -","- C240 H376 Br16 Ir8 P16 -","8","1","","Rajshekhar Ghosh; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Combined Experimental and Computational Studies on Carbon-Carbon Reductive Elimination from Bis(hydrocarbyl) Complexes of (PCP)Ir","Journal of the American Chemical Society","2008","130","","11317","11327","10.1021/ja800434r","","","0.71073","MoKα","","0.0459","0.0378","","","0.1206","0.1265","","","","","","1.061","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108220","9.9228","0.0004","16.81","0.0007","10.3137","0.0004","90","","99.89","0.001","90","","1694.78","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H53 Ir O P2 -","- C37 H53 Ir O P2 -","- C74 H106 Ir2 O2 P4 -","2","1","","Rajshekhar Ghosh; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Combined Experimental and Computational Studies on Carbon-Carbon Reductive Elimination from Bis(hydrocarbyl) Complexes of (PCP)Ir","Journal of the American Chemical Society","2008","130","","11317","11327","10.1021/ja800434r","","","0.71073","MoKα","","0.0177","0.0169","","","0.0419","0.0419","","","","","","0.882","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108221","11.7312","0.0007","20.4871","0.0013","29.5148","0.0018","90","","90","","90","","7093.5","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H55 Ir O P2 -","- C39 H55 Ir O P2 -","- C312 H440 Ir8 O8 P16 -","8","1","","Rajshekhar Ghosh; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Combined Experimental and Computational Studies on Carbon-Carbon Reductive Elimination from Bis(hydrocarbyl) Complexes of (PCP)Ir","Journal of the American Chemical Society","2008","130","","11317","11327","10.1021/ja800434r","","","0.71073","MoKα","","0.0526","0.0376","","","0.0812","0.0877","","","","","","1.001","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108222","11.3065","0.0006","16.6734","0.0009","17.1406","0.0009","90","","93.327","0.001","90","","3225.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H53 Ir O P2 -","- C34 H53 Ir O P2 -","- C136 H212 Ir4 O4 P8 -","4","1","","Rajshekhar Ghosh; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Combined Experimental and Computational Studies on Carbon-Carbon Reductive Elimination from Bis(hydrocarbyl) Complexes of (PCP)Ir","Journal of the American Chemical Society","2008","130","","11317","11327","10.1021/ja800434r","","","0.71073","MoKα","","0.028","0.0241","","","0.0601","0.0624","","","","","","1.002","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108223","9.4658","0.001","24.54","0.003","15.3058","0.0016","90","","96.002","0.002","90","","3535.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H53 Ir O P2 -","- C39 H53 Ir O P2 -","- C156 H212 Ir4 O4 P8 -","4","1","","Rajshekhar Ghosh; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Combined Experimental and Computational Studies on Carbon-Carbon Reductive Elimination from Bis(hydrocarbyl) Complexes of (PCP)Ir","Journal of the American Chemical Society","2008","130","","11317","11327","10.1021/ja800434r","","","0.71073","MoKα","","0.0922","0.0477","","","0.0704","0.0798","","","","","","1.001","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108224","16.2384","0.0004","16.2384","0.0004","20.068","0.001","90","","90","","120","","4582.7","0.3","100","2","100","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C29 H53.666667 Ir O P2 -","- C29 H53.6667 Ir O P2 -","- C174 H322 Ir6 O6 P12 -","6","0.5","","Rajshekhar Ghosh; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Combined Experimental and Computational Studies on Carbon-Carbon Reductive Elimination from Bis(hydrocarbyl) Complexes of (PCP)Ir","Journal of the American Chemical Society","2008","130","","11317","11327","10.1021/ja800434r","","","0.71073","MoKα","","0.0396","0.0298","","","0.069","0.0724","","","","","","1.059","","","","has coordinates,has disorder","178828","2020-10-21","18:00:00",""
"4108225","12.933","0.0009","19.0074","0.0014","24.724","0.0018","90","","90","","90","","6077.7","0.8","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C32 H49 Ir O P2 -","- C32 H49 Ir O P2 -","- C256 H392 Ir8 O8 P16 -","8","0.25","","Rajshekhar Ghosh; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Combined Experimental and Computational Studies on Carbon-Carbon Reductive Elimination from Bis(hydrocarbyl) Complexes of (PCP)Ir","Journal of the American Chemical Society","2008","130","","11317","11327","10.1021/ja800434r","","","0.71073","MoKα","","0.0312","0.0271","","","0.0612","0.0627","","","","","","1.075","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108226","13.244","0.0006","15.2021","0.0007","16.7996","0.0008","90","","110.383","0.001","90","","3170.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 I Ir P2 -","- C32 H48 I Ir P2 -","- C128 H192 I4 Ir4 P8 -","4","1","","Rajshekhar Ghosh; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Combined Experimental and Computational Studies on Carbon-Carbon Reductive Elimination from Bis(hydrocarbyl) Complexes of (PCP)Ir","Journal of the American Chemical Society","2008","130","","11317","11327","10.1021/ja800434r","","","0.71073","MoKα","","0.019","0.0171","","","0.0384","0.039","","","","","","0.998","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108227","13.2337","0.0004","11.8332","0.0003","9.8015","0.0003","90","","90","","90","","1534.89","0.08","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H22 Si2 V -","- C16 H22 Si2 V -","- C64 H88 Si8 V4 -","4","0.5","","Holger Braunschweig; Martin Kaupp; Christopher J. Adams; Thomas Kupfer; Krzysztof Radacki; Sandra Schinzel","Synthesis, Reactivity, and Electronic Structure of [n]Vanadoarenophanes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2008","130","","11376","11393","10.1021/ja802034p","","","0.71073","MoKα","","0.0282","0.0269","","","0.0737","0.0748","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108228","9.6364","0.0007","11.5492","0.0008","16.9744","0.0012","90","","90","","90","","1889.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 B2 N2 V -","- C20 H28 B2 N2 V -","- C80 H112 B8 N8 V4 -","4","1","","Holger Braunschweig; Martin Kaupp; Christopher J. Adams; Thomas Kupfer; Krzysztof Radacki; Sandra Schinzel","Synthesis, Reactivity, and Electronic Structure of [n]Vanadoarenophanes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2008","130","","11376","11393","10.1021/ja802034p","","","0.71073","MoKα","","0.0335","0.0323","","","0.0874","0.0886","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108229","17.62","0.0003","8.8212","0.0002","9.8947","0.0002","90","","91.371","0.001","90","","1537.49","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 B2 N2 V -","- C16 H22 B2 N2 V -","- C64 H88 B8 N8 V4 -","4","1","","Holger Braunschweig; Martin Kaupp; Christopher J. Adams; Thomas Kupfer; Krzysztof Radacki; Sandra Schinzel","Synthesis, Reactivity, and Electronic Structure of [n]Vanadoarenophanes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2008","130","","11376","11393","10.1021/ja802034p","","","0.71073","MoKα","","0.037","0.0335","","","0.0918","0.0958","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108230","10.1225","0.0007","12.487","0.0008","19.2872","0.0012","93.159","0.004","90.694","0.004","93.629","0.004","2429","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H76 Li4 O7 V2 -","- C52 H76 Li4 O7 V2 -","- C104 H152 Li8 O14 V4 -","2","1","","Holger Braunschweig; Martin Kaupp; Christopher J. Adams; Thomas Kupfer; Krzysztof Radacki; Sandra Schinzel","Synthesis, Reactivity, and Electronic Structure of [n]Vanadoarenophanes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2008","130","","11376","11393","10.1021/ja802034p","","","0.71073","MoKα","","0.1143","0.0688","","","0.1456","0.1695","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108231","11.5345","0.0007","15.7328","0.001","17.2495","0.0012","90","","90","","90","","3130.3","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H50 B2 N2 P2 Pt V -","- C28 H50 B2 N2 P2 Pt V -","- C112 H200 B8 N8 P8 Pt4 V4 -","4","1","","Holger Braunschweig; Martin Kaupp; Christopher J. Adams; Thomas Kupfer; Krzysztof Radacki; Sandra Schinzel","Synthesis, Reactivity, and Electronic Structure of [n]Vanadoarenophanes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2008","130","","11376","11393","10.1021/ja802034p","","","0.71073","MoKα","","0.0311","0.0265","","","0.0593","0.0619","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108232","6.2221","0.0002","38.3377","0.0011","13.3179","0.0004","90","","90.42","0.001","90","","3176.78","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[1]boravanadoarenophan","[1]boradi-iso-propylaminvanadoarenophan","","- C18 H24 B N V -","- C18 H24 B N V -","- C144 H192 B8 N8 V8 -","8","2","","Holger Braunschweig; Martin Kaupp; Christopher J. Adams; Thomas Kupfer; Krzysztof Radacki; Sandra Schinzel","Synthesis, Reactivity, and Electronic Structure of [n]Vanadoarenophanes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2008","130","","11376","11393","10.1021/ja802034p","","","0.71073","MoKα","","0.0402","0.0357","","","0.0855","0.0886","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108233","15.679","0.0014","9.331","0.0008","41.624","0.004","90","","90","","90","","6089.6","1","183","2","183","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C312 H264 N24 O24 -","12","3","","Manoj Mathews; Nobuyuki Tamaoki","Planar Chiral Azobenzenophanes as Chiroptic Switches for Photon Mode Reversible Reflection Color Control in Induced Chiral Nematic Liquid Crystals","Journal of the American Chemical Society","2008","130","","11409","11416","10.1021/ja802472t","","","0.71073","MoKα","","0.0522","0.0416","","","0.1064","0.1153","","","","","","1.023","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108234","25.279","0.005","7.7559","0.0014","19.608","0.003","90","","129.618","0.01","90","","2961.4","1","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 O6 -","- C32 H38 O6 -","- C128 H152 O24 -","4","1","","Rui Xu; W. Bernd Schweizer; Holger Frauenrath","Soluble Poly(diacetylene)s Using the Perfluorophenyl-Phenyl Motif as a Supramolecular Synthon","Journal of the American Chemical Society","2008","130","","11437","11445","10.1021/ja802964a","","","0.71073","MoKα","","0.2279","0.0545","","","0.1238","0.1495","","","","","","0.677","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108235","5.9343","0.0001","7.4644","0.0001","27.3032","0.0005","97.839","0.001","90.534","0.001","93.184","0.001","1196.1","0.03","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H42 F10 O10 -","- C52 H42 F10 O10 -","- C52 H42 F10 O10 -","1","0.5","","Rui Xu; W. Bernd Schweizer; Holger Frauenrath","Soluble Poly(diacetylene)s Using the Perfluorophenyl-Phenyl Motif as a Supramolecular Synthon","Journal of the American Chemical Society","2008","130","","11437","11445","10.1021/ja802964a","","","0.7107","MoKα","","0.0937","0.0732","","","0.2069","0.2269","","","","","","1.029","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108236","27.6013","0.0007","7.6701","0.0002","19.6075","0.0004","90","","102.358","0.0008","90","","4054.82","0.17","223","","","","","","","","","","Frauenrath laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H62 O6 -","- C44 H62 O6 -","- C176 H248 O24 -","4","1","","Rui Xu; W. Bernd Schweizer; Holger Frauenrath","Soluble Poly(diacetylene)s Using the Perfluorophenyl-Phenyl Motif as a Supramolecular Synthon","Journal of the American Chemical Society","2008","130","","11437","11445","10.1021/ja802964a","","","0.71073","MoKα","","0.1356","0.0851","","","0.2086","0.2343","","","","","","1.33","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108237","8.5415","0.0002","33.5644","0.0003","8.6075","0.0011","90","","98.629","0.002","90","","2439.8","0.3","203","","","","","","","","","","Frauenrath laboratory","4","P 1 21/c 1","-P 2ybc","14","","6-(4-(hexyloxy)benzoyloxy)hexa-2,4-diynyl 2,3,4,5,6-pentafluorobenzoate","","- C26 H21 F5 O5 -","- C26 H21 F5 O5 -","- C104 H84 F20 O20 -","4","1","","Rui Xu; W. Bernd Schweizer; Holger Frauenrath","Soluble Poly(diacetylene)s Using the Perfluorophenyl-Phenyl Motif as a Supramolecular Synthon","Journal of the American Chemical Society","2008","130","","11437","11445","10.1021/ja802964a","","","0.71073","MoKα","","0.1074","0.0709","","","0.1744","0.1988","","","","","","1.167","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108238","5.9798","0.0001","7.3408","0.0002","32.9975","0.0007","87.5755","0.0009","87.6095","0.0008","85.7851","0.001","1442.18","0.06","153","","","","","","","","","","Frauenrath laboratory","4","P -1","-P 1","2","","","","- C32 H33 F5 O5 -","- C32 H33 F5 O5 -","- C64 H66 F10 O10 -","2","1","","Rui Xu; W. Bernd Schweizer; Holger Frauenrath","Soluble Poly(diacetylene)s Using the Perfluorophenyl-Phenyl Motif as a Supramolecular Synthon","Journal of the American Chemical Society","2008","130","","11437","11445","10.1021/ja802964a","","","0.71073","MoKα","","0.1185","0.0642","","","0.1594","0.1886","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108239","5.928","0.0004","7.487","0.0005","32.386","0.001","87.02","0.0009","87.03","0.0008","86.46","0.001","1431","0.14","223","","223","","","","","","","","Frauenrath group","4","P -1","-P 1","2","","","","- C32 H33 F5 O5 -","- C32 H33 F5 O5 -","- C64 H66 F10 O10 -","2","1","","Rui Xu; W. Bernd Schweizer; Holger Frauenrath","Soluble Poly(diacetylene)s Using the Perfluorophenyl-Phenyl Motif as a Supramolecular Synthon","Journal of the American Chemical Society","2008","130","","11437","11445","10.1021/ja802964a","","x-ray","0.71073","MoKα","","0.3898","0.3575","","","","0.7172","","","","","","5.893","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108240","10.975","0.003","10.975","0.003","4.6804","0.0013","90","","90","","120","","488.2","0.2","298","2","298","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- La10 O3 Si8 -","- La10 O3 Si8 -","- La10 O3 Si8 -","1","0.0416667","","Limin Wang; Zhongjia Tang; Bernd Lorenz; Arnold M. Guloy","Remarkable Rare-Earth Metal Silicide Oxides with Planar Si6 Rings","Journal of the American Chemical Society","2008","130","","11258","11259","10.1021/ja803632x","","","0.71073","MoKα","","0.0144","0.0125","","","0.0263","0.0267","","","","","","0.996","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108241","10.8442","0.0012","10.8442","0.0012","4.5606","0.001","90","","90","","120","","464.46","0.13","298","2","298","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Ce10 O3 Si8 -","- Ce10 O3 Si8 -","- Ce10 O3 Si8 -","1","0.0416667","","Limin Wang; Zhongjia Tang; Bernd Lorenz; Arnold M. Guloy","Remarkable Rare-Earth Metal Silicide Oxides with Planar Si6 Rings","Journal of the American Chemical Society","2008","130","","11258","11259","10.1021/ja803632x","","","0.71073","MoKα","","0.0143","0.013","","","0.0288","0.0291","","","","","","1.115","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108242","10.5097","0.0012","13.1602","0.0015","25.006","0.003","90","","93.528","0.002","90","","3452","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(BDI)Me2Nb(NCMe3)","","","- C35 H56 N3 Nb -","- C35 H56 N3 Nb -","- C140 H224 N12 Nb4 -","4","1","","Neil C. Tomson; Andrew Yan; John Arnold; Robert G. Bergman","An Unusally Diverse Array of Products Formed upon Carbonylation of a Dialkylniobium Complex","Journal of the American Chemical Society","2008","130","","11262","11263","10.1021/ja803729k","","x-ray","0.7749","synchrotron","","0.0474","0.0336","","","0.0806","0.0849","","","","","","1.215","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108243","16.941","0.003","20.984","0.004","19.668","0.004","90","","103.88","0.002","90","","6788","2","273","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(BDI)(CO)2Nb(NCMe3)","","","- C35 H50 N3 Nb O2 -","- C35 H50 N3 Nb O2 -","- C280 H400 N24 Nb8 O16 -","8","2","","Neil C. Tomson; Andrew Yan; John Arnold; Robert G. Bergman","An Unusally Diverse Array of Products Formed upon Carbonylation of a Dialkylniobium Complex","Journal of the American Chemical Society","2008","130","","11262","11263","10.1021/ja803729k","","","0.71073","MoKα","","0.0784","0.043","","","0.0972","0.113","","","","","","0.975","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108244","9.8916","0.0011","11.5679","0.0013","16.3201","0.0017","81.504","0.002","82.576","0.002","68.648","0.002","1714.4","0.3","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 N3 Nb O -","- C36 H56 N3 Nb O -","- C72 H112 N6 Nb2 O2 -","2","1","","Neil C. Tomson; Andrew Yan; John Arnold; Robert G. Bergman","An Unusally Diverse Array of Products Formed upon Carbonylation of a Dialkylniobium Complex","Journal of the American Chemical Society","2008","130","","11262","11263","10.1021/ja803729k","","x-ray","0.71073","MoKα","","0.054","0.0428","","","0.1023","0.1057","","","","","","1.073","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108245","13.398","0.005","14.714","0.005","18.212","0.006","90","","99.021","0.005","90","","3546","2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 N3 Nb O -","- C36 H56 N3 Nb O -","- C144 H224 N12 Nb4 O4 -","4","1","","Neil C. Tomson; Andrew Yan; John Arnold; Robert G. Bergman","An Unusally Diverse Array of Products Formed upon Carbonylation of a Dialkylniobium Complex","Journal of the American Chemical Society","2008","130","","11262","11263","10.1021/ja803729k","","x-ray","0.71073","MoKα","","0.0723","0.0423","","","0.1039","0.1132","","","","","","1.116","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108246","12.253","0.003","13.004","0.003","13.033","0.003","99.359","0.003","93.498","0.003","94.676","0.003","2036.4","0.8","119","2","119","2","","","","","","","","4","P -1","-P 1","2","(BDI)(XylNCMe2)Nb(NCMe3)","","","- C44 H65 N4 Nb -","- C44 H65 N4 Nb -","- C88 H130 N8 Nb2 -","2","1","","Neil C. Tomson; Andrew Yan; John Arnold; Robert G. Bergman","An Unusally Diverse Array of Products Formed upon Carbonylation of a Dialkylniobium Complex","Journal of the American Chemical Society","2008","130","","11262","11263","10.1021/ja803729k","","x-ray","0.71073","MoKα","","0.0806","0.0476","","","0.0996","0.112","","","","","","0.994","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108247","10.8728","0.0009","10.6829","0.0009","10.876","0.0009","90","","116.472","0.001","90","","1130.83","0.16","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 -","- C32 H22 -","- C64 H44 -","2","0.5","","Igor V. Alabugin; Kerry Gilmore; Satish Patil; Mariappan Manoharan; Serguei V. Kovalenko; Ronald J. Clark; Ion Ghiviriga","Radical Cascade Transformations of Tris(o-aryleneethynylenes) into Substituted Benzo[a]indeno[2,1-c]fluorenes","Journal of the American Chemical Society","2008","130","","11535","11545","10.1021/ja8038213","","","0.71073","MoKα","","0.0591","0.0567","","","0.1495","0.1518","","","","","","1.141","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108248","11.0954","0.0006","10.5677","0.0006","19.0897","0.0011","90","","90","","90","","2238.3","0.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H26 Si2 -","- C24 H26 Si2 -","- C96 H104 Si8 -","4","0.5","","Igor V. Alabugin; Kerry Gilmore; Satish Patil; Mariappan Manoharan; Serguei V. Kovalenko; Ronald J. Clark; Ion Ghiviriga","Radical Cascade Transformations of Tris(o-aryleneethynylenes) into Substituted Benzo[a]indeno[2,1-c]fluorenes","Journal of the American Chemical Society","2008","130","","11535","11545","10.1021/ja8038213","","","0.71073","MoKα","","0.0663","0.0651","","","0.1349","0.1356","","","","","","1.362","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108249","6.3621","0.0002","14.5128","0.0005","25.6079","0.0008","90","","90","","90","","2364.43","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Br N O4 -","- C27 H24 Br N O4 -","- C108 H96 Br4 N4 O16 -","4","1","","Michael P. DeMartino; Ke Chen; Phil S. Baran","Intermolecular Enolate Heterocoupling: Scope, Mechanism, and Application","Journal of the American Chemical Society","2008","130","","11546","11560","10.1021/ja804159y","","","1.54178","CuKα","","0.0348","0.0319","","","0.0793","0.0813","","","","","","0.922","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108250","8.8772","0.0005","19.4494","0.001","24.4787","0.0013","90","","95.388","0.003","90","","4207.7","0.4","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O2 -","- C23 H26 N2 O2 -","- C184 H208 N16 O16 -","8","2","","Vincent César; Noël Lugan; Guy Lavigne","A Stable Anionic N-Heterocyclic Carbene and Its Zwitterionic Complexes","Journal of the American Chemical Society","2008","130","","11286","11287","10.1021/ja804296t","","x-ray","0.71073","MoKα","","0.1009","0.0579","","","0.1185","0.145","","","","","","1.093","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108251","17.493","0.005","21.431","0.005","26.96","0.005","90","0.005","97.401","0.005","90","0.005","10023","4","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C101 H139 Li3 N6 O14 -","- C93 H123 Li3 N6 O12 -","- C372 H492 Li12 N24 O48 -","4","1","","Vincent César; Noël Lugan; Guy Lavigne","A Stable Anionic N-Heterocyclic Carbene and Its Zwitterionic Complexes","Journal of the American Chemical Society","2008","130","","11286","11287","10.1021/ja804296t","","x-ray","0.71073","MoKα","","0.2252","0.1076","","","0.2784","0.3275","","","","","","1.03","","","","has coordinates,has disorder","178828","2020-10-21","18:00:00",""
"4108252","10.1885","0.0005","10.3875","0.0004","13.9142","0.0006","71.898","0.002","80.947","0.003","76.125","0.002","1353.37","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H37 N2 O2 Rh -","- C31 H37 N2 O2 Rh -","- C62 H74 N4 O4 Rh2 -","2","1","","Vincent César; Noël Lugan; Guy Lavigne","A Stable Anionic N-Heterocyclic Carbene and Its Zwitterionic Complexes","Journal of the American Chemical Society","2008","130","","11286","11287","10.1021/ja804296t","","x-ray","0.71073","MoKα","","0.037","0.0315","","","0.0808","0.0874","","","","","","1.044","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108253","11.3816","0.0016","15.909","0.002","21.281","0.003","90","","90","","90","","3853.3","0.9","180","2","93","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C44 H46 Ag N2 O2 P -","- C44 H46 Ag N2 O2 P -","- C176 H184 Ag4 N8 O8 P4 -","4","0.5","","Vincent César; Noël Lugan; Guy Lavigne","A Stable Anionic N-Heterocyclic Carbene and Its Zwitterionic Complexes","Journal of the American Chemical Society","2008","130","","11286","11287","10.1021/ja804296t","","x-ray","0.71073","MoKα","","0.073","0.0642","","","0.1503","0.1556","","","","","","1.228","","","","has coordinates,has disorder","178828","2020-10-21","18:00:00",""
"4108254","13.079","0.003","15.663","0.003","15.731","0.003","90","","90","","90","","3222.6","1.1","100","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 Cl2 Fe N2 O4 -","- C34 H38 Cl2 Fe N2 O4 -","- C136 H152 Cl8 Fe4 N8 O16 -","4","1","","Vincent César; Noël Lugan; Guy Lavigne","A Stable Anionic N-Heterocyclic Carbene and Its Zwitterionic Complexes","Journal of the American Chemical Society","2008","130","","11286","11287","10.1021/ja804296t","","x-ray","0.71073","MoKα","","0.023","0.0222","","","0.0588","0.0594","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108255","9.9567","0.0003","15.2992","0.0005","16.3935","0.0005","90","","90","","90","","2497.21","0.13","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 N2 O2 -","- C30 H38 N2 O2 -","- C120 H152 N8 O8 -","4","1","","Bradley L. Nilsson; Larry E. Overman; Javier Read de Alaniz; Jason M. Rohde","Enantioselective Total Syntheses of Nankakurines A and B: Confirmation of Structure and Establishment of Absolute Configuration","Journal of the American Chemical Society","2008","130","","11297","11299","10.1021/ja804624u","","","0.71073","MoKα","","0.0333","0.032","","","0.0851","0.0868","","","","","","1.054","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108256","7.8258","0.0004","7.8258","0.0004","11.981","0.001","90","","90","","90","","733.75","0.08","","","25","","","","","","","","","5","P 42/m c m","-P 4c 2c","132","crystalline silicotitanate hydrate","","Sitinakite","- Cs1.44 H6.56 O32 Si4 Ti8 -","- Cs1.464 O32 Si4 Ti8 -","- Cs1.464 O32 Si4 Ti8 -","1","0.0625","","Aaron J. Celestian; James D. Kubicki; Jonathon Hanson; Abraham Clearfield; John B. Parise","The Mechanism Responsible for Extraordinary Cs Ion Selectivity in Crystalline Silicotitanate","Journal of the American Chemical Society","2008","130","","11689","11694","10.1021/ja801134a","powder diffraction","x-ray","0.92223","Monochromatic","","","","","","","","","6.5","4.19","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108257","13.427","0.005","13.44","0.005","24.95","0.009","101.217","0.009","95.838","0.01","105.366","0.011","4202","3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H80 Li4 N4 -","- C36 H80 Li4 N4 -","- C144 H320 Li16 N16 -","4","2","","Carsten Strohmann; Viktoria H. Gessner","Crystal Structures of n-BuLi Adducts with (R,R)-TMCDA and the Consequences for the Deprotonation of Benzene","Journal of the American Chemical Society","2008","130","","11719","11725","10.1021/ja8017187","","","0.71073","MoKα","","0.1276","0.0769","","","0.2097","0.2336","","","","","","1.028","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108258","8.765","0.003","25.083","0.008","9.466","0.003","90","","93.771","0.006","90","","2076.6","1.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H80 Li4 N4 -","- C36 H80 Li4 N4 -","- C72 H160 Li8 N8 -","2","1","","Carsten Strohmann; Viktoria H. Gessner","Crystal Structures of n-BuLi Adducts with (R,R)-TMCDA and the Consequences for the Deprotonation of Benzene","Journal of the American Chemical Society","2008","130","","11719","11725","10.1021/ja8017187","","","0.71073","MoKα","","0.0712","0.0592","","","0.1557","0.1635","","","","","","1.031","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108259","17.3647","0.0003","20.5552","0.0004","10.8911","0.0002","90","","90","","90","","3887.41","0.12","100","2","100","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C22 H32 N4 -","- C22 H32 N4 -","- C176 H256 N32 -","8","1","","Stephen F. Nelsen; Gaoquan Li; Kevin P. Schultz; Hieu Q. Tran; Ilia A. Guzei; Dennis H. Evans","Alkylated Trimethylene-Bridged Bis(p-Phenylenediamines)","Journal of the American Chemical Society","2008","130","","11620","11622","10.1021/ja802292g","","","1.54178","Mo-Kα","","0.0314","0.0297","","","0.0778","0.0793","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108260","10.2619","0.0003","11.3556","0.0003","12.6191","0.0003","104.525","0.001","101.089","0.001","91.059","0.001","1393.48","0.06","444","2","444","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H48 N4 -","- C30 H48 N4 -","- C60 H96 N8 -","2","1","","Stephen F. Nelsen; Gaoquan Li; Kevin P. Schultz; Hieu Q. Tran; Ilia A. Guzei; Dennis H. Evans","Alkylated Trimethylene-Bridged Bis(p-Phenylenediamines)","Journal of the American Chemical Society","2008","130","","11620","11622","10.1021/ja802292g","","","1.54178","Cu-Kα","","0.0384","0.0372","","","0.103","0.1044","","","","","","0.983","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108261","7.601","0.0007","11.2909","0.001","11.3686","0.001","113.715","0.001","109.402","0.001","94.584","0.001","816.4","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H38 F12 N6 Sb2 -","- C26 H38 F12 N6 Sb2 -","- C26 H38 F12 N6 Sb2 -","1","0.5","","Stephen F. Nelsen; Gaoquan Li; Kevin P. Schultz; Hieu Q. Tran; Ilia A. Guzei; Dennis H. Evans","Alkylated Trimethylene-Bridged Bis(p-Phenylenediamines)","Journal of the American Chemical Society","2008","130","","11620","11622","10.1021/ja802292g","","","0.71073","Mo-Kα","","0.0278","0.0239","","","0.0582","0.0607","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108262","21.8217","0.0009","7.252","0.0003","8.7815","0.0004","90","","90","","90","","1389.68","0.1","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C2 H7.5 O12.5 S2 Sb4 -","- C2 H6 O12.5 S2 Sb4 -","- C8 H24 O50 S8 Sb16 -","4","0.5","","Claudia H. Swanson; Harris A. Shaikh; David L. Rogow; Allen G. Oliver; Charles F. Campana; Scott R. J. Oliver","Antimony Oxide Hydroxide Ethanedisulfonate: a Cationic Layered Metal Oxide for Lewis Acid Applications","Journal of the American Chemical Society","2008","130","","11737","11741","10.1021/ja802420h","","","0.71073","MoKα","","0.0188","0.0166","","","0.0403","0.0407","","","","","","1.43","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108263","10.2777","0.0003","15.6945","0.0006","22.1373","0.0007","90","","100.634","0.002","90","","3509.5","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H50 Br Fe N3 O -","- C37 H50 Br Fe N3 O -","- C148 H200 Br4 Fe4 N12 O4 -","4","1","","Ryan J. Trovitch; Emil Lobkovsky; Paul J. Chirik","Bis(imino)pyridine Iron Alkyls Containing β-Hydrogens: Synthesis, Evaluation of Kinetic Stability, and Decomposition Pathways Involving Chelate Participation","Journal of the American Chemical Society","2008","130","","11631","11640","10.1021/ja803296f","","","0.71073","MoKα","","0.086","0.0461","","","0.1065","0.1244","","","","","","1.004","","","","has coordinates,has disorder","178828","2020-10-21","18:00:00",""
"4108264","29.663","0.002","29.663","0.002","29.663","0.002","90","","90","","90","","26100","3","258","2","258","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","MOP-14","","","- C360 H512 Br24 Cu24 N48 O180 -","- C192 H72 Br24 Cu24 O120 -","- C384 H144 Br48 Cu48 O240 -","2","0.0208333","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.1251","0.0793","","","0.1658","0.1887","","","","","","1.227","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108265","31.2356","0.0014","31.2356","0.0014","30.617","0.003","90","","90","","90","","29872","3","153","2","153","2","","","","","","","","5","I 4/m","-I 4","87","MOP-15","","","- C358 H578 Cu24 N74 O185 -","- C344 H428 Cu24 N76 O168 -","- C688 H856 Cu48 N152 O336 -","2","0.125","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.0863","0.065","","","0.1829","0.1932","","","","","","1.008","","","","has coordinates,has disorder","178828","2020-10-21","18:00:00",""
"4108266","40.654","0.013","39.94","0.013","28.935","0.009","90","","90","","90","","46982","3","258","2","258","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C398 H518 Cu24 N22 O160 -","- C320 H248 Cu24 O166 -","- C1280 H992 Cu96 O664 -","4","","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.219","0.0779","","","0.2221","0.2607","","","","","","0.979","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108267","44.289","0.002","39.49","0.002","37.176","0.002","90","","90","","90","","65020","6","153","2","153","2","","","","","","","","5","C m c e","-C 2ac 2","64","MOP-23","","","- C436 H556 Cu24 N28 O168 -","- C316 H188 Cu24 N6 O120 -","- C1264 H752 Cu96 N24 O480 -","4","0.25","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.1497","0.0843","","","0.2026","0.2282","","","","","","0.864","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4108268","38.3867","0.0009","38.3867","0.0009","141.831","0.003","90","","90","","120","","180994","7","258","2","258","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","MOP-24","","","- C656 H776 Cu24 N64 O188 -","- C336 H144 Cu24 O120 -","- C2016 H864 Cu144 O720 -","6","0.166667","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.2239","0.0682","","","0.1385","0.183","","","","","","0.958","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108269","15.3277","0.0006","15.3277","0.0006","24.322","0.0019","90","","90","","90","","5714.2","0.5","153","2","153","2","","","","","","","","4","P 42 21 2","P 4n 2n","94","MOF-222","","","- C36 H44.38 Cu2 O18.19 -","- C36 H36 Cu2 O18.79 -","- C144 H144 Cu8 O75.16 -","4","0.5","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.0793","0.069","","","0.2135","0.2261","","","","","","1.088","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108270","22.241","0.002","12.7034","0.0012","17.6543","0.0016","90","","126.361","0.002","90","","4016.8","0.6","258","2","258","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","MOF-114","","","- C37 H37 N3 O15 S2 Zn2 -","- C37 H37 N3 O15 S2 Zn2 -","- C148 H148 N12 O60 S8 Zn8 -","4","0.5","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.0325","0.0284","","","0.077","0.079","","","","","","1.047","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108271","13.22","0.003","15.123","0.003","11.734","0.002","90","","105.673","0.005","90","","2258.7","0.8","258","2","258","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","MOF-115","","","- C41 H45 Cu2 N3 O11 -","- C41 H34 Cu2 N3 O11 -","- C82 H68 Cu4 N6 O22 -","2","0.25","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.0794","0.0611","","","0.1651","0.1777","","","","","","1.106","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108272","13.7184","0.0013","20.3881","0.0018","9.3906","0.0009","90","","93.442","0.004","90","","2621.7","0.4","233","2","233","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","MOF-116","","","- C60 H50 Cu2 N4 O11 -","- C54 H34 Cu2 N2 O8 -","- C108 H68 Cu4 N4 O16 -","2","0.25","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.1111","0.0821","","","0.23","0.2606","","","","","","1.002","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108273","10.0679","0.0014","18.449","0.003","14.567","0.002","90","","104.786","0.004","90","","2616.1","0.7","258","2","258","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MOF-117","","","- C50 H60 Cu2 N4 O14 -","- C50 H60 Cu2 N4 O14 -","- C100 H120 Cu4 N8 O28 -","2","0.5","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.1449","0.0707","","","0.169","0.2115","","","","","","0.971","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108274","24.426","0.0016","17.8487","0.0011","15.1401","0.001","90","","90.036","0.001","90","","6600.7","0.7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","MOF-118","","","- C55 H74 Cu2 N6 O17 -","- C34 H25 Cu2 N O9 -","- C136 H100 Cu8 N4 O36 -","4","1","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.0885","0.0685","","","0.2005","0.2167","","","","","","1.041","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108275","10.0482","0.0009","18.2409","0.0016","26.895","0.002","90","","90","","90","","4929.5","0.7","233","2","233","2","","","","","","","","5","I b a m","-I 2 2c","72","MOF-119","","","- C45 H52 Cu2 N8 O13 -","- C37 H22 Cu2 N6 O18 -","- C148 H88 Cu8 N24 O72 -","4","0.25","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.0985","0.0656","","","0.1793","0.2031","","","","","","1.056","","","","has coordinates,has disorder","178828","2020-10-21","18:00:00",""
"4108276","44.0047","0.0015","44.0047","0.0015","12.2617","0.0004","90","","90","","120","","20562.7","1.2","223","2","223","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","MOF-601","","","- C49 H53 Cu2 N9 O15 -","- C35 H14 Cu2 N5 O10 -","- C315 H126 Cu18 N45 O90 -","9","0.25","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.0699","0.0547","","","0.1553","0.1637","","","","","","1.02","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108277","46.3352","0.0014","46.3352","0.0014","10.4693","0.0003","90","","90","","120","","19465.7","1","258","2","258","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","MOF-602","","","- C55 H78 Cu2 N6 O16 -","- C40 H38 Cu2 N2 O10 -","- C360 H342 Cu18 N18 O90 -","9","0.25","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.114","0.0532","","","0.1373","0.1536","","","","","","0.922","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108278","30.1786","0.0007","39.4019","0.0009","26.5077","0.0006","90","","120.931","0.001","90","","27037.6","1.1","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","MOF-603","","","- C42.33 H39.67 Cu2 I4 N3.67 O12.67 -","- C36.3333 H14.3333 Cu2 I4 N1.66667 O8.33333 -","- C436 H172 Cu24 I48 N20 O100 -","12","1.5","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.1224","0.0669","","","0.1774","0.1951","","","","","","0.84","","","","has coordinates,has disorder","178828","2020-10-21","18:00:00",""
"4108279","24.1636","0.0016","17.671","0.0011","10.1065","0.0007","90","","113.969","0.002","90","","3943.3","0.5","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","MOF-604","","","- C38 H36 Cu2 N2 O10 -","- C38 H36 Cu2 N2 O10 -","- C152 H144 Cu8 N8 O40 -","4","0.5","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.1359","0.0918","","","0.2322","0.26","","","","","","1.067","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108280","37.22","0.007","37.22","0.007","43.77","0.009","90","","90.1","0.03","90","","60636","2","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C433 H375 Cd12 Cl24 N109 O98 -","- C432 H371 Cd12 Cl20 N109 O82 -","- C1728 H1484 Cd48 Cl80 N436 O328 -","4","1","","Nawal K. Al-Rasbi; Ian S. Tidmarsh; Stephen P. Argent; Harry Adams; Lindsay P. Harding; Michael D. Ward","Mixed-Ligand Molecular Paneling: Dodecanuclear Cuboctahedral Coordination Cages Based on a Combination of Edge-Bridging and Face-Capping Ligands","Journal of the American Chemical Society","2008","130","","11641","11649","10.1021/ja803847w","","","0.71073","MoKα","","0.2095","0.134","","","0.3464","0.3812","","","","","","1.075","","","","has coordinates,has disorder","178828","2020-10-21","18:00:00",""
"4108281","17.262","0.0016","17.9425","0.0017","18.4478","0.0017","70.614","0.006","82.359","0.005","63.121","0.005","4806.5","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H79 Cd3 Cl6 N23 O26 -","- C82 H60 Cd3 Cl6 N23 O26 -","- C164 H120 Cd6 Cl12 N46 O52 -","2","1","","Nawal K. Al-Rasbi; Ian S. Tidmarsh; Stephen P. Argent; Harry Adams; Lindsay P. Harding; Michael D. Ward","Mixed-Ligand Molecular Paneling: Dodecanuclear Cuboctahedral Coordination Cages Based on a Combination of Edge-Bridging and Face-Capping Ligands","Journal of the American Chemical Society","2008","130","","11641","11649","10.1021/ja803847w","","","0.71073","MoKα","","0.1695","0.1095","","","0.2894","0.33","","","","","","1.073","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108282","8.135","0.001","12.229","0.002","16.238","0.002","90","","98.11","0.001","90","","1599.2","0.4","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H40 O7 Ru S2 -","- C30 H40 O7 Ru S2 -","- C60 H80 O14 Ru2 S4 -","2","1","","Alexey B. Zaitsev; Stefan Gruber; Pascal A. Plüss; Paul S. Pregosin; Luis F. Veiros; Michael Wörle","Fast and Highly Regioselective Allylation of Indole and Pyrrole Compounds by Allyl Alcohols Using Ru-Sulfonate Catalysts","Journal of the American Chemical Society","2008","130","","11604","11605","10.1021/ja804379k","","","0.71073","MoKα","","0.0812","0.0493","","","0.0971","0.1121","","","","","","1.054","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108283","12.072","0.003","11.15","0.003","13.468","0.004","90","0.002","108.622","0.002","90","0.002","1717.9","0.8","123.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Jun-ichi Matsuo; Shun Sasaki; Hiroyuki Tanaka; Hiroyuki Ishibashi","Lewis Acid-Catalyzed Intermolecular [4 + 2] Cycloaddition of 3-Alkoxycyclobutanones to Aldehydes and Ketones","Journal of the American Chemical Society","2008","130","","11600","11601","10.1021/ja8045684","","","0.7107","MoKα","","","0.0636","","","","0.0795","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108284","11.3879","0.0007","11.6326","0.0007","13.4661","0.0005","84.178","0.009","84.793","0.008","78.075","0.009","1731.9","0.17","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H50 Cl Ir O S -","- C38 H40 Cl Ir O S -","- C76 H80 Cl2 Ir2 O2 S2 -","2","1","","Yasuhiro Ohki; Mayumi Sakamoto; Kazuyuki Tatsumi","Reversible Heterolysis of H2 Mediated by an M-S(Thiolate) Bond (M = Ir, Rh): A Mechanistic Implication for [NiFe] Hydrogenase","Journal of the American Chemical Society","2008","130","","11610","11611","10.1021/ja804848w","","","0.7107","MoKα","","","0.0242","","","","0.0523","","","","","","1.148","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108285","11.3944","0.0019","11.658","0.002","13.423","0.003","84.368","0.004","84.664","0.005","78.034","0.005","1731.1","0.6","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H50 Cl O Rh S -","- C38 H40 Cl O Rh S -","- C76 H80 Cl2 O2 Rh2 S2 -","2","1","","Yasuhiro Ohki; Mayumi Sakamoto; Kazuyuki Tatsumi","Reversible Heterolysis of H2 Mediated by an M-S(Thiolate) Bond (M = Ir, Rh): A Mechanistic Implication for [NiFe] Hydrogenase","Journal of the American Chemical Society","2008","130","","11610","11611","10.1021/ja804848w","","","0.7107","MoKα","","","0.0466","","","","0.1459","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108286","8.751","0.005","37.922","0.016","11.966","0.007","90","","92.817","0.01","90","","3966","4","173.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H57 Cl Ir P S -","- C44 H57 Cl Ir P S -","- C176 H228 Cl4 Ir4 P4 S4 -","4","1","","Yasuhiro Ohki; Mayumi Sakamoto; Kazuyuki Tatsumi","Reversible Heterolysis of H2 Mediated by an M-S(Thiolate) Bond (M = Ir, Rh): A Mechanistic Implication for [NiFe] Hydrogenase","Journal of the American Chemical Society","2008","130","","11610","11611","10.1021/ja804848w","","","0.7107","MoKα","","","0.0472","","","","0.107","","","","","","0.948","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108287","19.474","0.003","18.11","0.003","19.662","0.003","90","","93.912","0.002","90","","6918.1","1.9","173.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H61 B F24 Ir P S -","- C69 H52 B F23.88 Ir P S -","- C276 H208 B4 F95.52 Ir4 P4 S4 -","4","1","","Yasuhiro Ohki; Mayumi Sakamoto; Kazuyuki Tatsumi","Reversible Heterolysis of H2 Mediated by an M-S(Thiolate) Bond (M = Ir, Rh): A Mechanistic Implication for [NiFe] Hydrogenase","Journal of the American Chemical Society","2008","130","","11610","11611","10.1021/ja804848w","","","0.7107","MoKα","","","0.0412","","","","0.113","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108288","19.672","0.003","18.066","0.003","19.481","0.004","90","","93.826","0.003","90","","6908","2","173.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C69 H61 B F24 P Rh S -","- C69 H52 B F23.88 P Rh S -","- C276 H208 B4 F95.52 P4 Rh4 S4 -","4","1","","Yasuhiro Ohki; Mayumi Sakamoto; Kazuyuki Tatsumi","Reversible Heterolysis of H2 Mediated by an M-S(Thiolate) Bond (M = Ir, Rh): A Mechanistic Implication for [NiFe] Hydrogenase","Journal of the American Chemical Society","2008","130","","11610","11611","10.1021/ja804848w","","","0.7107","MoKα","","","0.0708","","","","0.1978","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108289","20.109","0.002","20.1593","0.0018","24.523","0.002","90","","90","","90","","9941.2","1.6","173.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H39 B F24 Ir P -","- C45 H27 B F23.94 Ir P -","- C360 H216 B8 F191.52 Ir8 P8 -","8","1","","Yasuhiro Ohki; Mayumi Sakamoto; Kazuyuki Tatsumi","Reversible Heterolysis of H2 Mediated by an M-S(Thiolate) Bond (M = Ir, Rh): A Mechanistic Implication for [NiFe] Hydrogenase","Journal of the American Chemical Society","2008","130","","11610","11611","10.1021/ja804848w","","","0.7107","MoKα","","","0.0594","","","","0.134","","","","","","1.314","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108290","12.4289","0.0016","28.292","0.003","20.207","0.003","90","","100.685","0.0019","90","","6982.4","1.6","173.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H63 B F24 Ir P S -","- C69 H62 B F24 Ir P S -","- C276 H248 B4 F96 Ir4 P4 S4 -","4","1","","Yasuhiro Ohki; Mayumi Sakamoto; Kazuyuki Tatsumi","Reversible Heterolysis of H2 Mediated by an M-S(Thiolate) Bond (M = Ir, Rh): A Mechanistic Implication for [NiFe] Hydrogenase","Journal of the American Chemical Society","2008","130","","11610","11611","10.1021/ja804848w","","","0.7107","MoKα","","","0.0782","","","","0.2038","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108291","10.516","0.005","34.131","0.015","11.577","0.005","90","","112.927","0.007","90","","3827","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H56 Cl2 N3 O2 Os P -","- C38 H56 Cl2 N3 O2 Os P -","- C152 H224 Cl8 N12 O8 Os4 P4 -","4","1","","Miguel A. Esteruelas; Ana B. Masamunt; Montserrat Oliván; Enrique Oñate; Marta Valencia","Aromatic Diosmatricyclic Nitrogen-Containing Compounds","Journal of the American Chemical Society","2008","130","","11612","11613","10.1021/ja8048892","","","0.71073","MoKα","","0.0871","0.049","","","0.0668","0.0739","","","","","","0.976","","","","has coordinates,has disorder","178828","2020-10-21","18:00:00",""
"4108292","12.063","0.003","16.999","0.005","17.374","0.005","86.623","0.005","69.525","0.004","84.738","0.004","3322.2","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H119 N3 Os2 P4 -","- C66 H119 N3 Os2 P4 -","- C132 H238 N6 Os4 P8 -","2","1","","Miguel A. Esteruelas; Ana B. Masamunt; Montserrat Oliván; Enrique Oñate; Marta Valencia","Aromatic Diosmatricyclic Nitrogen-Containing Compounds","Journal of the American Chemical Society","2008","130","","11612","11613","10.1021/ja8048892","","","0.71073","MoKα","","0.072","0.0432","","","0.0766","0.0832","","","","","","0.9","","","","has coordinates,has disorder","178828","2020-10-21","18:00:00",""
"4108293","12.091","0.005","16.911","0.007","17.257","0.007","85.937","0.008","69.937","0.008","84.575","0.007","3297","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C63.5 H116 N2 Os2 P4 -","- C63.5 H116 N2 Os2 P4 -","- C127 H232 N4 Os4 P8 -","2","1","","Miguel A. Esteruelas; Ana B. Masamunt; Montserrat Oliván; Enrique Oñate; Marta Valencia","Aromatic Diosmatricyclic Nitrogen-Containing Compounds","Journal of the American Chemical Society","2008","130","","11612","11613","10.1021/ja8048892","","","0.71073","MoKα","","0.0569","0.0402","","","0.0847","0.0897","","","","","","0.975","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108294","9.5424","0.0007","11.2137","0.0008","21.7553","0.0016","90","","90","","90","","2327.9","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H39 Li N2 O Si -","- C23 H39 Li N2 O Si -","- C92 H156 Li4 N8 O4 Si4 -","4","1","","Holger Ott; Christian Däschlein; Dirk Leusser; Daniel Schildbach; Timo Seibel; Dietmar Stalke; Carsten Strohmann","Structure/Reactivity Studies on an α-Lithiated Benzylsilane: Chemical Interpretation of Experimental Charge Density","Journal of the American Chemical Society","2008","130","","11901","11911","10.1021/ja711104q","","","0.71073","MoKα","","0.029","0.02","","","","0.031","0.024","","","","","2.595","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108295","8.9491","0.0009","14.9054","0.0014","18.5409","0.0018","90","","90","","90","","2473.2","0.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H38 I N O Si Sn -","- C20 H38 I N O Si Sn -","- C80 H152 I4 N4 O4 Si4 Sn4 -","4","1","","Holger Ott; Christian Däschlein; Dirk Leusser; Daniel Schildbach; Timo Seibel; Dietmar Stalke; Carsten Strohmann","Structure/Reactivity Studies on an α-Lithiated Benzylsilane: Chemical Interpretation of Experimental Charge Density","Journal of the American Chemical Society","2008","130","","11901","11911","10.1021/ja711104q","","","0.71073","MoKα","","0.0329","0.0311","","","0.0638","0.0645","","","","","","1.138","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108296","21.38","0.006","7.175","0.002","32.098","0.009","90","","90","","90","","4924","2","193","2","193","2","","","","","","","","10","P c a 21","P 2c -2ac","29","","","","- C25 H50 B2 Cl2 F8 Fe4 N2 O8 P4 S4 -","- C25 H50 B2 Cl2 F8 Fe4 N2 O8 P4 S4 -","- C100 H200 B8 Cl8 F32 Fe16 N8 O32 P16 S16 -","4","1","","Matthew T. Olsen; Maurizio Bruschi; Luca De Gioia; Thomas B. Rauchfuss; Scott R. Wilson","Nitrosyl Derivatives of Diiron(I) Dithiolates Mimic the Structure and Lewis Acidity of the [FeFe]-Hydrogenase Active Site","Journal of the American Chemical Society","2008","130","","12021","12030","10.1021/ja802268p","","","0.71073","MoKα","","0.0889","0.0396","","","0.0673","0.0764","","","","","","0.881","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108297","10.523","0.003","14.085","0.004","15.516","0.005","97.095","0.005","101.417","0.005","90.182","0.005","2236.1","1.2","193","2","193","2","","","","","","","","10","P -1","-P 1","2","","","","- C10 H15 B Cl2 F4 Fe2 N O5 P S2 -","- C10 H15 B Cl2 F4 Fe2 N O5 P S2 -","- C40 H60 B4 Cl8 F16 Fe8 N4 O20 P4 S8 -","4","2","","Matthew T. Olsen; Maurizio Bruschi; Luca De Gioia; Thomas B. Rauchfuss; Scott R. Wilson","Nitrosyl Derivatives of Diiron(I) Dithiolates Mimic the Structure and Lewis Acidity of the [FeFe]-Hydrogenase Active Site","Journal of the American Chemical Society","2008","130","","12021","12030","10.1021/ja802268p","","","0.71073","MoKα","","0.076","0.0408","","","0.0922","0.105","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108298","12.1879","0.0003","12.7453","0.0003","16.8713","0.0003","90","","94.754","0.001","90","","2611.75","0.1","193","2","193","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C14 H33 B F4 Fe2 N O3 P3 S2 -","- C14 H33 B F4 Fe2 N O3 P3 S2 -","- C56 H132 B4 F16 Fe8 N4 O12 P12 S8 -","4","1","","Matthew T. Olsen; Maurizio Bruschi; Luca De Gioia; Thomas B. Rauchfuss; Scott R. Wilson","Nitrosyl Derivatives of Diiron(I) Dithiolates Mimic the Structure and Lewis Acidity of the [FeFe]-Hydrogenase Active Site","Journal of the American Chemical Society","2008","130","","12021","12030","10.1021/ja802268p","","","0.71073","MoKα","","0.0665","0.0479","","","0.118","0.1265","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108299","11.7561","0.0003","16.5341","0.0004","12.1606","0.0003","90","","111.517","0.002","90","","2199","0.1","193","2","193","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C11 H22 B F4 Fe2 N O4 P2 S2 -","- C11 H22 B F4 Fe2 N O4 P2 S2 -","- C44 H88 B4 F16 Fe8 N4 O16 P8 S8 -","4","1","","Matthew T. Olsen; Maurizio Bruschi; Luca De Gioia; Thomas B. Rauchfuss; Scott R. Wilson","Nitrosyl Derivatives of Diiron(I) Dithiolates Mimic the Structure and Lewis Acidity of the [FeFe]-Hydrogenase Active Site","Journal of the American Chemical Society","2008","130","","12021","12030","10.1021/ja802268p","","","0.71073","MoKα","","0.0452","0.0309","","","0.0732","0.0793","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108300","6.6325","0.0003","20.7126","0.0008","9.5998","0.0004","90","","93.054","0.002","90","","1316.91","0.1","193","2","193","2","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C13 H26 B Cl2 F4 Fe2 N O4 P2 S2 -","- C13 H26 B Cl2 F4 Fe2 N O4 P2 S2 -","- C26 H52 B2 Cl4 F8 Fe4 N2 O8 P4 S4 -","2","1","","Matthew T. Olsen; Maurizio Bruschi; Luca De Gioia; Thomas B. Rauchfuss; Scott R. Wilson","Nitrosyl Derivatives of Diiron(I) Dithiolates Mimic the Structure and Lewis Acidity of the [FeFe]-Hydrogenase Active Site","Journal of the American Chemical Society","2008","130","","12021","12030","10.1021/ja802268p","","","0.71073","MoKα","","0.039","0.0315","","","0.0667","0.07","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108301","7.8326","0.0018","5.2167","0.0012","28.043","0.006","90","","97.071","0.005","90","","1137.1","0.4","162","2","423","2","","","","","","","","7","P 1 2 1","P 2y","3","","","","- C32 H68 Br N4 O15 Pd S2 -","- C32 H68 Br N4 O15 Pd S2 -","- C32 H68 Br N4 O15 Pd S2 -","1","0.5","","Shinya Takaishi; Mitsuhito Takamura; Takashi Kajiwara; Masahiro Yamashita; Muneaki Iwata; Hiroyuki Matsuzaki; Hiroshi Okamoto; Hisaaki Tanaka; Shin-ichi Kuroda; Hiroyuki Nishikawa; Hiroki Oshio; Kenichi Kato; Masaki Takata","Charge-Density-Wave to Mott-Hubbard Phase Transition in Quasi-One-Dimensional Bromo-Bridged Pd Compounds","Journal of the American Chemical Society","2008","130","","12080","12084","10.1021/ja8032026","","","0.71073","MoKα","","0.0471","0.0445","","","0.1161","0.1172","","","","","","1.03","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108302","15.725","0.009","10.569","0.006","28.364","0.016","90","","100.012","0.007","90","","4642","5","259","2","523","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C32 H66 Br N4 O15 Pd S2 -","- C32 H66 Br N4 O15 Pd S2 -","- C128 H264 Br4 N16 O60 Pd4 S8 -","4","1","","Shinya Takaishi; Mitsuhito Takamura; Takashi Kajiwara; Masahiro Yamashita; Muneaki Iwata; Hiroyuki Matsuzaki; Hiroshi Okamoto; Hisaaki Tanaka; Shin-ichi Kuroda; Hiroyuki Nishikawa; Hiroki Oshio; Kenichi Kato; Masaki Takata","Charge-Density-Wave to Mott-Hubbard Phase Transition in Quasi-One-Dimensional Bromo-Bridged Pd Compounds","Journal of the American Chemical Society","2008","130","","12080","12084","10.1021/ja8032026","","","0.71073","MoKα","","0.0845","0.0528","","","0.1342","0.1435","","","","","","0.979","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108303","15.406","0.002","12.3503","0.0013","21.961","0.002","90","","93.196","0.006","90","","4172","0.8","123","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H40 Cl2 N6 O15 Zn2 -","- C39 H40 Cl2 N6 O15 Zn2 -","- C156 H160 Cl8 N24 O60 Zn8 -","4","1","","Akio Ojida; Ippei Takashima; Takahiro Kohira; Hiroshi Nonaka; Itaru Hamachi","Turn-On Fluorescence Sensing of Nucleoside Polyphosphates Using a Xanthene-Based Zn(II) Complex Chemosensor","Journal of the American Chemical Society","2008","130","","12095","12101","10.1021/ja803262w","","","0.71075","MoKα","","","0.0541","","","","0.1306","","","","","","2.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108304","10.583","0.0001","18.6893","0.0002","12.2943","0.0002","90","","97.933","0.001","90","","2408.4","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H14 B11 Cl11 O3 -","- C4 H14 B11 Cl11 O3 -","- C16 H56 B44 Cl44 O12 -","4","1","","Evgenii S. Stoyanov; Irina V. Stoyanova; Fook S. Tham; Christopher A. Reed","The Nature of the Hydrated Proton H(aq)+ in Organic Solvents","Journal of the American Chemical Society","2008","130","","12128","12138","10.1021/ja803535s","","","0.71073","MoKα","","0.0598","0.0381","","","0.079","0.0865","","","","","","1.048","","","","has coordinates,has disorder","178829","2020-10-21","18:00:00",""
"4108305","13.1286","0.0004","10.2028","0.0003","15.7311","0.0004","90","","90","","90","","2107.16","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C H8 B11 Cl11 O3 -","- C H8 B11 Cl11 O3 -","- C4 H32 B44 Cl44 O12 -","4","1","","Evgenii S. Stoyanov; Irina V. Stoyanova; Fook S. Tham; Christopher A. Reed","The Nature of the Hydrated Proton H(aq)+ in Organic Solvents","Journal of the American Chemical Society","2008","130","","12128","12138","10.1021/ja803535s","","","0.71073","MoKα","","0.019","0.0175","","","0.0434","0.0442","","","","","","1.054","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108306","10.1928","0.0004","17.8149","0.0008","12.4182","0.0005","90","","98.8445","0.0007","90","","2228.13","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H10 B11 Cl11 O4 -","- C H10 B11 Cl11 O4 -","- C4 H40 B44 Cl44 O16 -","4","1","","Evgenii S. Stoyanov; Irina V. Stoyanova; Fook S. Tham; Christopher A. Reed","The Nature of the Hydrated Proton H(aq)+ in Organic Solvents","Journal of the American Chemical Society","2008","130","","12128","12138","10.1021/ja803535s","","","0.71073","MoKα","","0.0238","0.0197","","","0.0543","0.0557","","","","","","1.078","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108307","25.2074","0.0012","15.1047","0.0007","19.778","0.0009","90","","95.174","0.003","90","","7499.8","0.6","90","2","90","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Sc4O2@C80.NiOEP.2benzene","","","- C128 H56 N4 Ni O2 Sc4 -","- C128.32 H56 N4 Ni O2 Sc4 -","- C513.28 H224 N16 Ni4 O8 Sc16 -","4","0.5","","Steven Stevenson; Mary A. Mackey; Melissa A. Stuart; J. Paige Phillips; Michael L. Easterling; Christopher J. Chancellor; Marilyn M. Olmstead; Alan L. Balch","A Distorted Tetrahedral Metal Oxide Cluster inside an Icosahedral Carbon Cage. Synthesis, Isolation, and Structural Characterization of Sc4(μ3-O)2@Ih-C80","Journal of the American Chemical Society","2008","130","","11844","11845","10.1021/ja803679u","","","0.71073","MoKα","","0.14","0.1203","","","0.3233","0.3435","","","","","","1.037","","","","has coordinates,has disorder","178829","2020-10-21","18:00:00",""
"4108308","15.6507","0.0007","22.6708","0.0007","19.8315","0.001","90","","90","","90","","7036.5","0.5","150","1","150","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C23.33333 H27.33333 Cl2 N2 O1.33333 -","- C23.3333 H27.3333 Cl2 N2 O1.33333 -","- C280 H328 Cl24 N24 O16 -","12","1.5","","Hyunwoo Kim; Yen Nguyen; Cindy Pai-Hui Yen; Leonid Chagal; Alan J. Lough; B. Moon Kim; Jik Chin","Stereospecific Synthesis of C2 Symmetric Diamines from the Mother Diamine by Resonance-Assisted Hydrogen-Bond Directed Diaza-Cope Rearrangement","Journal of the American Chemical Society","2008","130","","12184","12191","10.1021/ja803951u","","","0.71073","MoKα","","0.1101","0.0652","","","0.1608","0.1787","","","","","","0.995","","","","has coordinates","273129","2022-02-23","10:11:33",""
"4108309","16.4941","0.0007","8.9269","0.0005","17.8748","0.0009","90","","106.919","0.003","90","","2518","0.2","150","1","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N4 O6 -","- C28 H22 N4 O6 -","- C112 H88 N16 O24 -","4","1","","Hyunwoo Kim; Yen Nguyen; Cindy Pai-Hui Yen; Leonid Chagal; Alan J. Lough; B. Moon Kim; Jik Chin","Stereospecific Synthesis of C2 Symmetric Diamines from the Mother Diamine by Resonance-Assisted Hydrogen-Bond Directed Diaza-Cope Rearrangement","Journal of the American Chemical Society","2008","130","","12184","12191","10.1021/ja803951u","","","0.71073","MoKα","","0.1092","0.0558","","","0.139","0.1721","","","","","","1.014","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108310","30.029","0.0011","15.919","0.0007","19.3815","0.0006","90","","127.409","0.0017","90","","7359.3","0.5","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H24.25 Cl2 N2 O1.125 -","- C16 H24.25 Cl2 N2 O1.125 -","- C256 H388 Cl32 N32 O18 -","16","4","","Hyunwoo Kim; Yen Nguyen; Cindy Pai-Hui Yen; Leonid Chagal; Alan J. Lough; B. Moon Kim; Jik Chin","Stereospecific Synthesis of C2 Symmetric Diamines from the Mother Diamine by Resonance-Assisted Hydrogen-Bond Directed Diaza-Cope Rearrangement","Journal of the American Chemical Society","2008","130","","12184","12191","10.1021/ja803951u","","","0.71073","MoKα","","0.1174","0.0785","","","0.202","0.232","","","","","","1.019","","","","has coordinates,has disorder","178829","2020-10-21","18:00:00",""
"4108311","12.194","0.002","17.001","0.003","31.552","0.006","90","","90","","90","","6541","2","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H85 N8 O13 S3 -","- C63 H85 N8 O13 S3 -","- C252 H340 N32 O52 S12 -","4","1","","Silvia Cabrera; Efraim Reyes; José Alemán; Andrea Milelli; Sara Kobbelgaard; Karl Anker Jørgensen","Organocatalytic Asymmetric Synthesis of α,α-Disubstituted α-Amino Acids and Derivatives","Journal of the American Chemical Society","2008","130","","12031","12037","10.1021/ja804567h","","x-ray","0.71073","MoKα","","0.117","0.0682","","","0.1463","0.1631","","","","","","0.996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108312","11.5493","0.001","12.2399","0.001","22.961","0.002","90.795","0.005","100.549","0.005","113.895","0.005","2903.4","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H88 B2 Na O7 P2 Re -","- C60 H88 B2 Na O7 P2 Re -","- C120 H176 B4 Na2 O14 P4 Re2 -","2","1","","Alexander J. M. Miller; Jay A. Labinger; John E. Bercaw","Reductive Coupling of Carbon Monoxide in a Rhenium Carbonyl Complex with Pendant Lewis Acids","Journal of the American Chemical Society","2008","130","","11874","11875","10.1021/ja805108z","","","0.71073","MoKα","","0.095","0.0756","","","0.1263","0.1273","","","","","","2.715","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108313","11.2518","0.0005","13.3609","0.0006","16.3588","0.0007","88.406","0.003","74.156","0.003","80.3","0.003","2331.6","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H118 B4 Cl4 O8 P4 Re2 -","- C98 H118 B4 Cl4 O8 P4 Re2 -","- C98 H118 B4 Cl4 O8 P4 Re2 -","1","0.5","","Alexander J. M. Miller; Jay A. Labinger; John E. Bercaw","Reductive Coupling of Carbon Monoxide in a Rhenium Carbonyl Complex with Pendant Lewis Acids","Journal of the American Chemical Society","2008","130","","11874","11875","10.1021/ja805108z","","","0.71073","MoKα","","0.0521","0.0351","","","0.0668","0.0681","","","","","","1.248","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108314","11.5211","0.0005","12.3378","0.0005","23.1407","0.0008","81.125","0.002","81.14","0.002","67.21","0.002","2980.1","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H91 B2 Na O8 P2 Re -","- C64 H91.036 B2 Na O8 P2 Re -","- C128 H182.072 B4 Na2 O16 P4 Re2 -","2","1","","Alexander J. M. Miller; Jay A. Labinger; John E. Bercaw","Reductive Coupling of Carbon Monoxide in a Rhenium Carbonyl Complex with Pendant Lewis Acids","Journal of the American Chemical Society","2008","130","","11874","11875","10.1021/ja805108z","","","0.71073","MoKα","","0.0691","0.044","","","0.0574","0.059","","","","","","1.696","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4108315","13.5643","0.001","14.4026","0.001","14.6998","0.0011","71.725","0.004","70.883","0.004","89.203","0.005","2563.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H60 B3 Cl4 F4 O4 P2 Re -","- C50 H60 B3 Cl4 F4 O4 P2 Re -","- C100 H120 B6 Cl8 F8 O8 P4 Re2 -","2","1","","Alexander J. M. Miller; Jay A. Labinger; John E. Bercaw","Reductive Coupling of Carbon Monoxide in a Rhenium Carbonyl Complex with Pendant Lewis Acids","Journal of the American Chemical Society","2008","130","","11874","11875","10.1021/ja805108z","","","0.71073","MoKα","","0.1091","0.0515","","","0.0876","0.0895","","","","","","2.971","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108316","7.5319","0.0015","11.179","0.002","12.639","0.003","99.22","0.03","94.76","0.03","93.14","0.03","1044.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Cl N O6 -","- C22 H22 Cl N O6 -","- C44 H44 Cl2 N2 O12 -","2","1","","Ryan C. Clark; Sang Yeul Lee; Dale L. Boger","Total Synthesis of Chlorofusin, Its Seven Chromophore Diastereomers, and Key Partial Structures","Journal of the American Chemical Society","2008","130","","12355","12369","10.1021/ja8012819","","","0.71073","MoKα","","0.0883","0.0629","","","0.1419","0.1554","","","","","","1.071","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108317","7.9229","0.0016","20.997","0.004","25.787","0.005","90","","96.12","0.03","90","","4265.4","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl N O6 -","- C22 H22 Cl N O6 -","- C176 H176 Cl8 N8 O48 -","8","2","","Ryan C. Clark; Sang Yeul Lee; Dale L. Boger","Total Synthesis of Chlorofusin, Its Seven Chromophore Diastereomers, and Key Partial Structures","Journal of the American Chemical Society","2008","130","","12355","12369","10.1021/ja8012819","","","0.71073","MoKα","","0.0976","0.0675","","","0.1345","0.1486","","","","","","1.098","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108318","19.611","0.003","19.611","0.003","10.628","0.002","90","","90","","120","","3539.8","1","296","2","296","2","","","","","","","","5","P 63","P 6c","173","","","","- C21 H28 Cl N O6 -","- C21 H28 Cl N O6 -","- C126 H168 Cl6 N6 O36 -","6","1","","Ryan C. Clark; Sang Yeul Lee; Dale L. Boger","Total Synthesis of Chlorofusin, Its Seven Chromophore Diastereomers, and Key Partial Structures","Journal of the American Chemical Society","2008","130","","12355","12369","10.1021/ja8012819","","","0.71073","MoKα","","0.1321","0.108","","","0.2463","0.2632","","","","","","1.186","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108319","10.747","0.002","14.12","0.003","16.719","0.003","107.93","0.03","107.91","0.03","90.12","0.03","2283.7","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 Cl N O6 -","- C21 H28 Cl N O6 -","- C84 H112 Cl4 N4 O24 -","4","2","","Ryan C. Clark; Sang Yeul Lee; Dale L. Boger","Total Synthesis of Chlorofusin, Its Seven Chromophore Diastereomers, and Key Partial Structures","Journal of the American Chemical Society","2008","130","","12355","12369","10.1021/ja8012819","","","0.71073","MoKα","","0.1341","0.0932","","","0.2253","0.2497","","","","","","1.104","","","","has coordinates,has disorder","178829","2020-10-21","18:00:00",""
"4108320","15.759","0.009","18.471","0.01","31.051","0.017","90","","90.608","0.012","90","","9038","9","303.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 Ag2 Cr6 O72 Si W12 -","- C36 Ag2 Cr6 O72 Si W12 -","- C144 Ag8 Cr24 O288 Si4 W48 -","4","0.5","","Sayaka Uchida; Ryosuke Kawamoto; Hanae Tagami; Yoshinao Nakagawa; Noritaka Mizuno","Highly Selective Sorption of Small Unsaturated Hydrocarbons by Nonporous Flexible Framework with Silver Ion","Journal of the American Chemical Society","2008","130","","12370","12376","10.1021/ja801453c","","","0.7107","MoKα","","","0.1192","","","","0.167","","","","","","2.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108321","15.895","0.007","19.526","0.008","30.385","0.011","90","","90.958","0.007","90","","9429","7","153.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 Ag2 Cr6 O76 Si W12 -","- C36 Ag2 Cr6 O76 Si W12 -","- C144 Ag8 Cr24 O304 Si4 W48 -","4","0.5","","Sayaka Uchida; Ryosuke Kawamoto; Hanae Tagami; Yoshinao Nakagawa; Noritaka Mizuno","Highly Selective Sorption of Small Unsaturated Hydrocarbons by Nonporous Flexible Framework with Silver Ion","Journal of the American Chemical Society","2008","130","","12370","12376","10.1021/ja801453c","","","0.7107","MoKα","","","0.1358","","","","0.1777","","","","","","1.681","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108322","15.965","0.004","19.677","0.008","30.539","0.011","90","","91.154","0.006","90","","9592","6","248","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 Ag2 Cr6 O72 Si W12 -","- C40 Ag2 Cr6 O72 Si W12 -","- C160 Ag8 Cr24 O288 Si4 W48 -","4","0.5","","Sayaka Uchida; Ryosuke Kawamoto; Hanae Tagami; Yoshinao Nakagawa; Noritaka Mizuno","Highly Selective Sorption of Small Unsaturated Hydrocarbons by Nonporous Flexible Framework with Silver Ion","Journal of the American Chemical Society","2008","130","","12370","12376","10.1021/ja801453c","","","0.7107","MoKα","","","0.1862","","","","0.3812","","","","","","1.232","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108323","14.163","0.004","14.134","0.004","16.658","0.004","90","","90","","90","","3334.6","1.6","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","jonll04","","","- C18 H23 Cl N Rh -","- C18 H23 Cl N Rh -","- C144 H184 Cl8 N8 Rh8 -","8","1","","Ling Li; William W. Brennessel; William D. Jones","An Efficient Low-Temperature Route to Polycyclic Isoquinoline Salt Synthesis via C-H Activation with [Cp*MCl2]2 (M = Rh, Ir)","Journal of the American Chemical Society","2008","130","","12414","12419","10.1021/ja802415h","","","0.71073","MoKα","","0.0267","0.0207","","","0.0492","0.0522","","","","","","1.047","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108324","14.216","0.003","14.109","0.003","16.637","0.003","90","","90","","90","","3336.9","1.2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","jonll02","","","- C18 H23 Cl Ir N -","- C18 H23 Cl Ir N -","- C144 H184 Cl8 Ir8 N8 -","8","1","","Ling Li; William W. Brennessel; William D. Jones","An Efficient Low-Temperature Route to Polycyclic Isoquinoline Salt Synthesis via C-H Activation with [Cp*MCl2]2 (M = Rh, Ir)","Journal of the American Chemical Society","2008","130","","12414","12419","10.1021/ja802415h","","","0.71073","MoKα","","0.0197","0.0152","","","0.033","0.0342","","","","","","1.044","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108325","7.4269","0.0007","14.7526","0.0014","16.9076","0.0016","90","","102.445","0.001","90","","1809","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jonll14","","","- C21 H23 Cl N Rh -","- C21 H23 Cl N Rh -","- C84 H92 Cl4 N4 Rh4 -","4","1","","Ling Li; William W. Brennessel; William D. Jones","An Efficient Low-Temperature Route to Polycyclic Isoquinoline Salt Synthesis via C-H Activation with [Cp*MCl2]2 (M = Rh, Ir)","Journal of the American Chemical Society","2008","130","","12414","12419","10.1021/ja802415h","","","0.71073","MoKα","","0.0276","0.023","","","0.0531","0.0548","","","","","","1.027","","","","has coordinates,has disorder","178829","2020-10-21","18:00:00",""
"4108326","7.4813","0.001","17.176","0.002","28.082","0.004","90","","92.377","0.002","90","","3605.4","0.8","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jonll13","","","- C21 H23 Cl Ir N -","- C21 H23 Cl Ir N -","- C168 H184 Cl8 Ir8 N8 -","8","2","","Ling Li; William W. Brennessel; William D. Jones","An Efficient Low-Temperature Route to Polycyclic Isoquinoline Salt Synthesis via C-H Activation with [Cp*MCl2]2 (M = Rh, Ir)","Journal of the American Chemical Society","2008","130","","12414","12419","10.1021/ja802415h","","","0.71073","MoKα","","0.0272","0.0238","","","0.0465","0.0474","","","","","","1.147","","","","has coordinates,has disorder","178829","2020-10-21","18:00:00",""
"4108327","8.1782","0.0007","14.4332","0.0013","15.9593","0.0014","90","","100.211","0.001","90","","1854","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonll24","","","- C23 H23 Cl N Rh -","- C23 H23 Cl N Rh -","- C92 H92 Cl4 N4 Rh4 -","4","1","","Ling Li; William W. Brennessel; William D. Jones","An Efficient Low-Temperature Route to Polycyclic Isoquinoline Salt Synthesis via C-H Activation with [Cp*MCl2]2 (M = Rh, Ir)","Journal of the American Chemical Society","2008","130","","12414","12419","10.1021/ja802415h","","","0.71073","MoKα","","0.039","0.0285","","","0.0602","0.064","","","","","","1.031","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108328","8.1872","0.0007","14.4049","0.0013","16.0988","0.0015","90","","100.911","0.001","90","","1864.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonll22","","","- C23 H23 Cl Ir N -","- C23 H23 Cl Ir N -","- C92 H92 Cl4 Ir4 N4 -","4","1","","Ling Li; William W. Brennessel; William D. Jones","An Efficient Low-Temperature Route to Polycyclic Isoquinoline Salt Synthesis via C-H Activation with [Cp*MCl2]2 (M = Rh, Ir)","Journal of the American Chemical Society","2008","130","","12414","12419","10.1021/ja802415h","","","0.71073","MoKα","","0.0257","0.0212","","","0.0438","0.0452","","","","","","1.084","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108329","10.083","0.002","15.994","0.003","14.848","0.003","90","","104.125","0.003","90","","2322.1","0.8","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","jonll05","","","- C24 H29 Cl N O4 Rh -","- C24 H29 Cl N O4 Rh -","- C96 H116 Cl4 N4 O16 Rh4 -","4","1","","Ling Li; William W. Brennessel; William D. Jones","An Efficient Low-Temperature Route to Polycyclic Isoquinoline Salt Synthesis via C-H Activation with [Cp*MCl2]2 (M = Rh, Ir)","Journal of the American Chemical Society","2008","130","","12414","12419","10.1021/ja802415h","","","0.71073","MoKα","","0.0226","0.0198","","","0.0498","0.0513","","","","","","1.043","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108330","10.0687","0.0014","16.002","0.002","14.879","0.002","90","","104.076","0.002","90","","2325.3","0.5","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","jonll03","","","- C24 H29 Cl Ir N O4 -","- C24 H29 Cl Ir N O4 -","- C96 H116 Cl4 Ir4 N4 O16 -","4","1","","Ling Li; William W. Brennessel; William D. Jones","An Efficient Low-Temperature Route to Polycyclic Isoquinoline Salt Synthesis via C-H Activation with [Cp*MCl2]2 (M = Rh, Ir)","Journal of the American Chemical Society","2008","130","","12414","12419","10.1021/ja802415h","","","0.71073","MoKα","","0.0224","0.0179","","","0.042","0.0433","","","","","","1.033","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108331","10.2924","0.001","10.3114","0.001","14.0019","0.0013","105.008","0.001","92.503","0.001","94.958","0.001","1426.6","0.2","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","jonll23","","","- C28 H31 Cl3 N O4 Rh -","- C28 H31 Cl3 N O4 Rh -","- C56 H62 Cl6 N2 O8 Rh2 -","2","1","","Ling Li; William W. Brennessel; William D. Jones","An Efficient Low-Temperature Route to Polycyclic Isoquinoline Salt Synthesis via C-H Activation with [Cp*MCl2]2 (M = Rh, Ir)","Journal of the American Chemical Society","2008","130","","12414","12419","10.1021/ja802415h","","","0.71073","MoKα","","0.0439","0.0326","","","0.0685","0.0735","","","","","","1.019","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108332","10.305","0.002","10.319","0.002","13.966","0.003","92.449","0.002","105.184","0.002","95.122","0.002","1424.2","0.5","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","jonll49","","","- C28 H31 Cl3 Ir N O4 -","- C28 H31 Cl3 Ir N O4 -","- C56 H62 Cl6 Ir2 N2 O8 -","2","1","","Ling Li; William W. Brennessel; William D. Jones","An Efficient Low-Temperature Route to Polycyclic Isoquinoline Salt Synthesis via C-H Activation with [Cp*MCl2]2 (M = Rh, Ir)","Journal of the American Chemical Society","2008","130","","12414","12419","10.1021/ja802415h","","","0.71073","MoKα","","0.0237","0.021","","","0.0453","0.0463","","","","","","0.983","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108333","13.7783","0.0012","19.5301","0.0017","9.3512","0.0008","90","","90","","90","","2516.3","0.4","100","0.1","100","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","jonll27","","","- C29 H29 Cl N O4 Rh -","- C29 H29 Cl N O4 Rh -","- C116 H116 Cl4 N4 O16 Rh4 -","4","1","","Ling Li; William W. Brennessel; William D. Jones","An Efficient Low-Temperature Route to Polycyclic Isoquinoline Salt Synthesis via C-H Activation with [Cp*MCl2]2 (M = Rh, Ir)","Journal of the American Chemical Society","2008","130","","12414","12419","10.1021/ja802415h","","","0.71073","MoKα","","0.0354","0.0275","","","0.0573","0.0604","","","","","","1.026","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108334","9.7806","0.0019","10.864","0.002","27.439","0.005","90","","90.469","0.003","90","","2915.5","0.9","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jonll50","","","- C30 H31 Cl3 Ir N O4 -","- C30 H31 Cl3 Ir N O4 -","- C120 H124 Cl12 Ir4 N4 O16 -","4","1","","Ling Li; William W. Brennessel; William D. Jones","An Efficient Low-Temperature Route to Polycyclic Isoquinoline Salt Synthesis via C-H Activation with [Cp*MCl2]2 (M = Rh, Ir)","Journal of the American Chemical Society","2008","130","","12414","12419","10.1021/ja802415h","","","0.71073","MoKα","","0.0709","0.0396","","","0.0715","0.0835","","","","","","1.009","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108335","10.9364","0.001","7.0474","0.0007","20.1124","0.0019","90","","96.847","0.001","90","","1539.1","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","jonll15","","","- C14 H14 B F4 N O4 -","- C14 H14 B F4 N O4 -","- C56 H56 B4 F16 N4 O16 -","4","1","","Ling Li; William W. Brennessel; William D. Jones","An Efficient Low-Temperature Route to Polycyclic Isoquinoline Salt Synthesis via C-H Activation with [Cp*MCl2]2 (M = Rh, Ir)","Journal of the American Chemical Society","2008","130","","12414","12419","10.1021/ja802415h","","","0.71073","MoKα","","0.0569","0.0424","","","0.1053","0.1158","","","","","","1.024","","","","has coordinates,has disorder","178829","2020-10-21","18:00:00",""
"4108336","7.2288","0.0005","10.8213","0.0008","12.2774","0.0009","68.019","0.001","89.457","0.001","74.203","0.001","852.34","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","jonll26","","","- C19 H14 B F4 N O4 -","- C19 H14 B F4 N O4 -","- C38 H28 B2 F8 N2 O8 -","2","1","","Ling Li; William W. Brennessel; William D. Jones","An Efficient Low-Temperature Route to Polycyclic Isoquinoline Salt Synthesis via C-H Activation with [Cp*MCl2]2 (M = Rh, Ir)","Journal of the American Chemical Society","2008","130","","12414","12419","10.1021/ja802415h","","","0.71073","MoKα","","0.0666","0.0439","","","0.1103","0.1226","","","","","","1.058","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108337","13.409","0.005","12.052","0.005","20.006","0.005","90","","101.237","0.005","90","","3171.1","1.9","293","","293","","","","","","","","?","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 Co3.25 F9 N3 O9 -","- C24 H33 Co3.5 F9 N3 O9 -","- C96 H132 Co14 F36 N12 O36 -","4","1","","Liviu F. Chibotaru; Liviu Ungur; Christophe Aronica; Hani Elmoll; Guillaume Pilet; Dominique Luneau","Structure, Magnetism, and Theoretical Study of a Mixed-Valence CoII3CoIII4 Heptanuclear Wheel: Lack of SMM Behavior despite Negative Magnetic Anisotropy","Journal of the American Chemical Society","2008","130","","12445","12455","10.1021/ja8029416","","","0.71069","MoKα","","0.1107","0.0506","","0.0692","0.0507","0.0507","","","","","","1.2173","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108338","5.099","0.001","11.694","0.002","23.476","0.005","90","","90","","90","","1399.8","0.5","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R)-N-((2-chloroethoxy)(phenyl)methyl)benzamide","","","- C16 H16 Cl N O2 -","- C16 H16 Cl N O2 -","- C64 H64 Cl4 N4 O8 -","4","1","","Guilong Li; Frank R. Fronczek; Jon C. Antilla","Catalytic Asymmetric Addition of Alcohols to Imines: Enantioselective Preparation of Chiral N,O-Aminals","Journal of the American Chemical Society","2008","130","","12216","12217","10.1021/ja8033334","","","0.71073","MoKα","","0.086","0.051","","","0.078","0.089","","","","","","1.069","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108339","5.8653","0.0005","7.5844","0.0007","26.955","0.002","90","","90","","90","","1199.09","0.17","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-(2-exo-norbornyl)-p-bromoaniline","","","- C13 H16 Br N -","- C13 H16 Br N -","- C52 H64 Br4 N4 -","4","1","","Jianrong (Steve) Zhou; John F. Hartwig","Intermolecular, Catalytic Asymmetric Hydroamination of Bicyclic Alkenes and Dienes in High Yield and Enantioselectivity","Journal of the American Chemical Society","2008","130","","12220","12221","10.1021/ja803523z","","","0.71073","MoKα","","0.0678","0.0284","","","0.0515","0.058","","","","","","0.86","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108340","15.699","0.001","11.016","0.001","12.468","0.001","90","","111.412","0.001","90","","2007.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C88 H96 N16 O8 -","8","1","","Edward C. Lis; Rebecca J. Salomon; Michal Sabat; William H. Myers; W. Dean Harman","Synthesis of 1-Oxadecalins from Anisole Promoted by Tungsten","Journal of the American Chemical Society","2008","130","","12472","12476","10.1021/ja803605m","","","0.71074","MoKα","","0.0598","0.0499","","","0.1378","0.1466","","","","","","1.069","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108341","9.675","0.0019","9.456","0.0019","34.564","0.007","90","","90","","90","","3162.1","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N2 O2 S -","- C18 H20 N2 O2 S -","- C144 H160 N16 O16 S8 -","8","1","","Edward C. Lis; Rebecca J. Salomon; Michal Sabat; William H. Myers; W. Dean Harman","Synthesis of 1-Oxadecalins from Anisole Promoted by Tungsten","Journal of the American Chemical Society","2008","130","","12472","12476","10.1021/ja803605m","","","0.71073","MoKα","","0.126","0.0925","","","0.2683","0.3006","","","","","","1.035","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108342","12.3422","0.0013","20.007","0.002","14.4645","0.0015","90","","107.163","0.002","90","","3412.7","0.6","273","2","273","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 B Cl2 N7 O3 P S W -","- C28 H37 B Cl2 N7 O3 P S W -","- C112 H148 B4 Cl8 N28 O12 P4 S4 W4 -","4","1","","Edward C. Lis; Rebecca J. Salomon; Michal Sabat; William H. Myers; W. Dean Harman","Synthesis of 1-Oxadecalins from Anisole Promoted by Tungsten","Journal of the American Chemical Society","2008","130","","12472","12476","10.1021/ja803605m","","","0.71073","MoKα","","0.1225","0.0497","","","0.0897","0.1062","","","","","","0.824","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108343","3.7079","0.001","15.074","0.005","18.491","0.006","90","","90","","90","","1033.5","0.6","298","2","298","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- K P Se6 Zr -","- K P Se6 Zr -","- K4 P4 Se24 Zr4 -","4","1","","Santanu Banerjee; Christos D. Malliakas; Joon I. Jang; John B. Ketterson; Mercouri G. Kanatzidis","1/\ιnfty[ZrPSe6-]: A Soluble Photoluminescent Inorganic Polymer and Strong Second Harmonic Generation Response of Its Alkali Salts","Journal of the American Chemical Society","2008","130","","12270","12272","10.1021/ja804166m","","","0.40663","synchrotron","","0.1885","0.0644","","","0.122","0.1646","","","","1.52","1.52","1.35","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108344","14.871","0.002","26.682","0.003","16.569","0.002","90","","110.17","0.02","90","","6171.2","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H101 N4 O3 U -","- C65 H101 N4 O3 U -","- C260 H404 N16 O12 U4 -","4","1","","Suzanne C. Bart; Christian Anthon; Frank W. Heinemann; Eckhard Bill; Norman M. Edelstein; Karsten Meyer","Carbon Dioxide Activation with Sterically Pressured Mid- and High-Valent Uranium Complexes","Journal of the American Chemical Society","2008","130","","12536","12546","10.1021/ja804263w","","","0.71073","MoKα","","0.1155","0.0643","","","0.1227","0.1369","","","","","","1.173","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108345","16.902","0.003","24.544","0.003","18.305","0.002","90","","107.196","0.011","90","","7254.2","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H114 N3 O4 U -","- C82 H114 N3 O4 U -","- C328 H456 N12 O16 U4 -","4","1","","Suzanne C. Bart; Christian Anthon; Frank W. Heinemann; Eckhard Bill; Norman M. Edelstein; Karsten Meyer","Carbon Dioxide Activation with Sterically Pressured Mid- and High-Valent Uranium Complexes","Journal of the American Chemical Society","2008","130","","12536","12546","10.1021/ja804263w","","","0.71073","MoKα","","0.1231","0.0547","","","0.087","0.1037","","","","","","0.993","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108346","14.841","0.002","14.841","0.002","15.8111","0.0008","90","","90","","120","","3015.9","0.6","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C66 H114 N3 O4 U -","- C66 H78 N3 O4 U -","- C132 H156 N6 O8 U2 -","2","0.333333","","Suzanne C. Bart; Christian Anthon; Frank W. Heinemann; Eckhard Bill; Norman M. Edelstein; Karsten Meyer","Carbon Dioxide Activation with Sterically Pressured Mid- and High-Valent Uranium Complexes","Journal of the American Chemical Society","2008","130","","12536","12546","10.1021/ja804263w","","","0.71073","MoKα","","0.0766","0.0359","","","0.0864","0.0996","","","","","","1.125","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108347","15.319","0.004","28.718","0.004","16.433","0.003","90","","108.962","0.014","90","","6837","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70.5 H99.75 N6.25 O5 U -","- C70.5 H99.75 N6.25 O5 U -","- C282 H399 N25 O20 U4 -","4","1","","Suzanne C. Bart; Christian Anthon; Frank W. Heinemann; Eckhard Bill; Norman M. Edelstein; Karsten Meyer","Carbon Dioxide Activation with Sterically Pressured Mid- and High-Valent Uranium Complexes","Journal of the American Chemical Society","2008","130","","12536","12546","10.1021/ja804263w","","","0.71073","MoKα","","0.0719","0.0433","","","0.0867","0.0944","","","","","","1.107","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108348","14.754","0.001","26.672","0.006","16.825","0.003","90","","110.097","0.008","90","","6217.8","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 N4 O4 U -","- C64 H100 N4 O4 U -","- C256 H400 N16 O16 U4 -","4","1","","Suzanne C. Bart; Christian Anthon; Frank W. Heinemann; Eckhard Bill; Norman M. Edelstein; Karsten Meyer","Carbon Dioxide Activation with Sterically Pressured Mid- and High-Valent Uranium Complexes","Journal of the American Chemical Society","2008","130","","12536","12546","10.1021/ja804263w","","","0.71073","MoKα","","0.1211","0.0562","","","0.0953","0.1113","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108349","14.97","0.003","24.531","0.004","20.93","0.002","90","","96.82","0.01","90","","7632","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84.25 H118.38 N5.38 O5.63 U -","- C84.248 H118.368 N5.376 O5.624 U -","- C336.992 H473.472 N21.504 O22.496 U4 -","4","1","","Suzanne C. Bart; Christian Anthon; Frank W. Heinemann; Eckhard Bill; Norman M. Edelstein; Karsten Meyer","Carbon Dioxide Activation with Sterically Pressured Mid- and High-Valent Uranium Complexes","Journal of the American Chemical Society","2008","130","","12536","12546","10.1021/ja804263w","","","0.71073","MoKα","","0.0911","0.0499","","","0.0903","0.1004","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108350","15.342","0.002","17.744","0.001","26.201","0.003","90","","94.49","0.02","90","","7110.8","1.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69 H110 N4 O7 U -","- C69 H110 N4 O7 U -","- C276 H440 N16 O28 U4 -","4","1","","Suzanne C. Bart; Christian Anthon; Frank W. Heinemann; Eckhard Bill; Norman M. Edelstein; Karsten Meyer","Carbon Dioxide Activation with Sterically Pressured Mid- and High-Valent Uranium Complexes","Journal of the American Chemical Society","2008","130","","12536","12546","10.1021/ja804263w","","","0.71073","MoKα","","0.0579","0.0323","","","0.0718","0.0817","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108351","9.2966","0.0018","9.4895","0.0018","9.5352","0.0018","104.005","0.003","116.032","0.003","99.246","0.003","698.2","0.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","1","","Joshua N. Payette; Hisashi Yamamoto","Nitrosobenzene-Mediated C-C Bond Cleavage Reactions and Spectral Observation of an Oxazetidin-4-one Ring System","Journal of the American Chemical Society","2008","130","","12276","12278","10.1021/ja804325f","","","0.71073","MoKα","","0.0697","0.0474","","","0.0978","0.1049","","","","","","0.946","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108352","10.219","0.003","6.4631","0.0017","14.713","0.004","90","","102.359","0.004","90","","949.2","0.5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H27 N O3 Si -","- C19 H27 N O3 Si -","- C38 H54 N2 O6 Si2 -","2","1","","Joshua N. Payette; Hisashi Yamamoto","Nitrosobenzene-Mediated C-C Bond Cleavage Reactions and Spectral Observation of an Oxazetidin-4-one Ring System","Journal of the American Chemical Society","2008","130","","12276","12278","10.1021/ja804325f","","","0.71073","MoKα","","0.0386","0.0356","","","0.0767","0.0781","","","","","","0.94","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108353","8.9975","0.0015","12.9799","0.0019","9.8043","0.0016","90","","90","","90","","1145","0.3","143","1","143","1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C8 H16 Cu I N2 -","- C8 H16 Cu I N2 -","- C32 H64 Cu4 I4 N8 -","4","0.5","","J. Brian Hewgley; Shannon S. Stahl; Marisa C. Kozlowski","Mechanistic Study of Asymmetric Oxidative Biaryl Coupling: Evidence for Self-Processing of the Copper Catalyst to Achieve Control of Oxidase vs Oxygenase Activity","Journal of the American Chemical Society","2008","130","","12232","12233","10.1021/ja804570b","","","0.71073","MoKα","","0.0331","0.0296","","","0.0765","0.0786","","","","","","1.098","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108354","7.1311","0.0004","12.5109","0.0007","13.6583","0.0008","84.172","0.003","83.812","0.003","79.439","0.003","1186.75","0.12","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 Cl2 O10 -","- C25 H18 Cl2 O10 -","- C50 H36 Cl4 O20 -","2","1","","J. Brian Hewgley; Shannon S. Stahl; Marisa C. Kozlowski","Mechanistic Study of Asymmetric Oxidative Biaryl Coupling: Evidence for Self-Processing of the Copper Catalyst to Achieve Control of Oxidase vs Oxygenase Activity","Journal of the American Chemical Society","2008","130","","12232","12233","10.1021/ja804570b","","","0.71069","MoKα","","0.0618","0.0564","","","0.1585","0.1645","","","","","","1.061","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108355","7.7037","0.0004","12.2546","0.0008","21.0831","0.0012","90","","95.364","0.003","90","","1981.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cu(OH2)(cage)]","","","- C21 H19 Cu N5 O5 -","- C21 H19 Cu N5 O5 -","- C84 H76 Cu4 N20 O20 -","4","1","","Katie L. Ciesienski; Kathryn L. Haas; Marina G. Dickens; Yohannes T. Tesema; Katherine J. Franz","A Photolabile Ligand for Light-Activated Release of Caged Copper","Journal of the American Chemical Society","2008","130","","12246","12247","10.1021/ja8047442","","","0.71073","MoKα","","0.0664","0.041","","","0.0983","0.1093","","","","","","1.152","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108356","10.6958","0.0006","5.6655","0.0003","16.4765","0.001","90","","102.599","0.001","90","","974.39","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N2 O3 S -","- C8 H10 N2 O3 S -","- C32 H40 N8 O12 S4 -","4","1","","Le Li; Eric G. Klauber; Daniel Seidel","Catalytic Enantioselective Aldol Additions of α-Isothiocyanato Imides to Aldehydes","Journal of the American Chemical Society","2008","130","","12248","12249","10.1021/ja804838y","","","0.71073","MoKα","","0.0449","0.0373","","","0.098","0.1042","","","","","","0.923","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108357","10.9697","0.0005","5.1144","0.0003","11.8901","0.0006","90","","100.446","0.001","90","","656.02","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H15 N O4 S -","- C13 H15 N O4 S -","- C26 H30 N2 O8 S2 -","2","1","","Le Li; Eric G. Klauber; Daniel Seidel","Catalytic Enantioselective Aldol Additions of α-Isothiocyanato Imides to Aldehydes","Journal of the American Chemical Society","2008","130","","12248","12249","10.1021/ja804838y","","","0.71073","MoKα","","0.0285","0.0279","","","0.0707","0.0711","","","","","","1.003","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108358","22.9183","0.0011","7.1479","0.0003","22.6542","0.0011","90","","94.972","0.001","90","","3697.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 N2 O5 S2 -","- C17 H20 N2 O5 S2 -","- C136 H160 N16 O40 S16 -","8","1","","Le Li; Eric G. Klauber; Daniel Seidel","Catalytic Enantioselective Aldol Additions of α-Isothiocyanato Imides to Aldehydes","Journal of the American Chemical Society","2008","130","","12248","12249","10.1021/ja804838y","","","0.71073","MoKα","","0.0387","0.0343","","","0.0837","0.0865","","","","","","1.003","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108359","10.433","0.004","11.79","0.005","14.866","0.007","81.444","0.016","82.486","0.018","76.746","0.014","1751.2","1.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H37 B N4 O -","- C48 H37 B N4 O -","- C96 H74 B2 N8 O2 -","2","1","","Yasuhide Inokuma; Shanmugam Easwaramoorthi; Zin Seok Yoon; Dongho Kim; Atsuhiro Osuka","meso-(4-(N,N-Dialkylamino)phenyl)-Substituted Subporphyrins: Remarkably Perturbed Absorption Spectra and Enhanced Fluorescence by Intramolecular Charge Transfer Interactions","Journal of the American Chemical Society","2008","130","","12234","12235","10.1021/ja804846v","","","0.71075","MoKα","","0.0879","0.0534","","","0.1175","0.1338","","","","","","1.022","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108360","15.615","0.003","29.921","0.004","29.357","0.004","90","","90","","90","","13716","4","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C79.35 H69.7 B Cl4.7 N6 O -","- C79.35 H69.7 B Cl4.7 N6 O -","- C634.8 H557.6 B8 Cl37.6 N48 O8 -","8","1","","Yasuhide Inokuma; Shanmugam Easwaramoorthi; Zin Seok Yoon; Dongho Kim; Atsuhiro Osuka","meso-(4-(N,N-Dialkylamino)phenyl)-Substituted Subporphyrins: Remarkably Perturbed Absorption Spectra and Enhanced Fluorescence by Intramolecular Charge Transfer Interactions","Journal of the American Chemical Society","2008","130","","12234","12235","10.1021/ja804846v","","","0.71075","MoKα","","0.1076","0.0722","","","0.2107","0.2411","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108361","12.0051","0.0006","13.3719","0.0007","13.6933","0.0007","110.572","0.0007","102.316","0.0007","103.599","0.0007","1891.6","0.17","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H110 N2 Sn2 -","- C88 H110 N2 Sn2 -","- C88 H110 N2 Sn2 -","1","0.5","","Yang Peng; Bobby D. Ellis; Xinping Wang; Philip P. Power","Diarylstannylene Activation of Hydrogen or Ammonia with Arene Elimination","Journal of the American Chemical Society","2008","130","","12268","12269","10.1021/ja805358u","","","0.71073","MoKα","","0.0268","0.022","","","0.0552","0.0578","","","","","","1.044","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108362","9.7446","0.0005","11.3016","0.0006","16.3463","0.0009","84.978","0.003","82.942","0.003","73.809","0.003","1713.03","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H57 Cl2 N2 P Ru -","- C35 H57 Cl2 N2 P Ru -","- C70 H114 Cl4 N4 P2 Ru2 -","2","1","","Andrew J. Boydston; Yan Xia; Julia A. Kornfield; Irina A. Gorodetskaya; Robert H. Grubbs","Cyclic Ruthenium-Alkylidene Catalysts for Ring-Expansion Metathesis Polymerization","Journal of the American Chemical Society","2008","130","","12775","12782","10.1021/ja8037849","","","0.71073","MoKα","","0.0885","0.0521","","","0.0694","0.072","","","","","","2.028","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108363","17.2664","0.0015","11.8916","0.0011","19.2386","0.0017","90","","107.393","0.002","90","","3769.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H60 Cl2 N2 P Ru -","- C39 H60 Cl2 N2 P Ru -","- C156 H240 Cl8 N8 P4 Ru4 -","4","1","","Andrew J. Boydston; Yan Xia; Julia A. Kornfield; Irina A. Gorodetskaya; Robert H. Grubbs","Cyclic Ruthenium-Alkylidene Catalysts for Ring-Expansion Metathesis Polymerization","Journal of the American Chemical Society","2008","130","","12775","12782","10.1021/ja8037849","","","0.71073","MoKα","","0.0489","0.0341","","","0.0717","0.0754","","","","","","1.676","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108364","10.0249","0.0005","12.835","0.0006","16.6189","0.0008","102.525","0.003","90.596","0.003","106.768","0.003","1992.6","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H71 Cl2 N2 P Ru -","- C41 H71 Cl2 N2 P Ru -","- C82 H142 Cl4 N4 P2 Ru2 -","2","1","","Andrew J. Boydston; Yan Xia; Julia A. Kornfield; Irina A. Gorodetskaya; Robert H. Grubbs","Cyclic Ruthenium-Alkylidene Catalysts for Ring-Expansion Metathesis Polymerization","Journal of the American Chemical Society","2008","130","","12775","12782","10.1021/ja8037849","","","0.71073","MoKα","","0.0749","0.046","","","0.0734","0.076","","","","","","1.356","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4108365","16.0931","0.0018","40.136","0.005","13.9991","0.0016","90","","111.896","0.002","90","","8389.9","1.7","193","2","193","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H42 Cl2 N2 O3 S2 W -","- C22 H42 Cl2 N2 O3 S2 W -","- C264 H504 Cl24 N24 O36 S24 W12 -","12","3","","Stanislav Groysman; Jun-Jieh Wang; Ranitendranath Tagore; Sonny C. Lee; Richard H. Holm","A Biomimetic Approach to Oxidized Sites in the Xanthine Oxidoreductase Family: Synthesis and Stereochemistry of Tungsten(VI) Analogue Complexes","Journal of the American Chemical Society","2008","130","","12794","12807","10.1021/ja804000k","","","0.71073","MoKα","","0.0382","0.0345","","","0.0716","0.074","","","","","","1.012","","","","has coordinates,has disorder","178829","2020-10-21","18:00:00",""
"4108366","13.2607","0.0009","14.9006","0.001","14.3014","0.001","90","","93.356","0.001","90","","2821","0.3","193","2","193","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H42 Cl2 Mo N2 O3 S2 -","- C22 H42 Cl2 Mo N2 O3 S2 -","- C88 H168 Cl8 Mo4 N8 O12 S8 -","4","1","","Stanislav Groysman; Jun-Jieh Wang; Ranitendranath Tagore; Sonny C. Lee; Richard H. Holm","A Biomimetic Approach to Oxidized Sites in the Xanthine Oxidoreductase Family: Synthesis and Stereochemistry of Tungsten(VI) Analogue Complexes","Journal of the American Chemical Society","2008","130","","12794","12807","10.1021/ja804000k","","","0.71073","MoKα","","0.0275","0.0265","","","0.0657","0.0667","","","","","","1.055","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108367","10.476","0.0002","10.476","0.0002","27.2433","0.0011","90","","90","","90","","2989.86","0.15","193","2","193","2","","","","","","","","6","P 43","P 4cw","78","","","","- C26 H52 N2 O3 S2 W -","- C26 H52 N2 O3 S2 W -","- C104 H208 N8 O12 S8 W4 -","4","1","","Stanislav Groysman; Jun-Jieh Wang; Ranitendranath Tagore; Sonny C. Lee; Richard H. Holm","A Biomimetic Approach to Oxidized Sites in the Xanthine Oxidoreductase Family: Synthesis and Stereochemistry of Tungsten(VI) Analogue Complexes","Journal of the American Chemical Society","2008","130","","12794","12807","10.1021/ja804000k","","","0.71073","MoKα","","0.0211","0.0193","","","0.0437","0.0444","","","","","","0.967","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108368","11.0172","0.0007","14.7202","0.0009","19.881","0.0012","90","","90","","90","","3224.2","0.3","188","2","188","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H51 N3 O2 S4 W -","- C25 H51 N3 O2 S4 W -","- C100 H204 N12 O8 S16 W4 -","4","1","","Stanislav Groysman; Jun-Jieh Wang; Ranitendranath Tagore; Sonny C. Lee; Richard H. Holm","A Biomimetic Approach to Oxidized Sites in the Xanthine Oxidoreductase Family: Synthesis and Stereochemistry of Tungsten(VI) Analogue Complexes","Journal of the American Chemical Society","2008","130","","12794","12807","10.1021/ja804000k","","","0.71073","MoKα","","0.0254","0.023","","","0.05","0.051","","","","","","1.061","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108369","13.9726","0.0009","14.3223","0.0009","29.797","0.002","90","","90","","90","","5963","0.7","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H42 Cl2 N2 O S4 W -","- C22 H22 Cl2 N2 O S4 W -","- C176 H176 Cl16 N16 O8 S32 W8 -","8","1","","Stanislav Groysman; Jun-Jieh Wang; Ranitendranath Tagore; Sonny C. Lee; Richard H. Holm","A Biomimetic Approach to Oxidized Sites in the Xanthine Oxidoreductase Family: Synthesis and Stereochemistry of Tungsten(VI) Analogue Complexes","Journal of the American Chemical Society","2008","130","","12794","12807","10.1021/ja804000k","","","0.71073","MoKα","","0.0919","0.0813","","","0.2129","0.2275","","","","","","1.083","","","","has coordinates,has disorder","178829","2020-10-21","18:00:00",""
"4108370","21.347","0.004","9.5082","0.0017","16.045","0.003","90","","109.008","0.003","90","","3079.1","1","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H50 N2 O1.5 S3.5 W -","- C26 H52 N2 O1.5 S3.5 W -","- C104 H208 N8 O6 S14 W4 -","4","1","","Stanislav Groysman; Jun-Jieh Wang; Ranitendranath Tagore; Sonny C. Lee; Richard H. Holm","A Biomimetic Approach to Oxidized Sites in the Xanthine Oxidoreductase Family: Synthesis and Stereochemistry of Tungsten(VI) Analogue Complexes","Journal of the American Chemical Society","2008","130","","12794","12807","10.1021/ja804000k","","","0.71073","MoKα","","0.0505","0.0368","","","0.0826","0.0897","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108371","10.1752","0.0008","16.6951","0.0012","21.7024","0.0015","110.262","0.001","100.372","0.002","91.711","0.001","3385","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H43 N O S4 Si W -","- C30 H43 N O S4 Si W -","- C120 H172 N4 O4 S16 Si4 W4 -","4","2","","Stanislav Groysman; Jun-Jieh Wang; Ranitendranath Tagore; Sonny C. Lee; Richard H. Holm","A Biomimetic Approach to Oxidized Sites in the Xanthine Oxidoreductase Family: Synthesis and Stereochemistry of Tungsten(VI) Analogue Complexes","Journal of the American Chemical Society","2008","130","","12794","12807","10.1021/ja804000k","","","0.71073","MoKα","","0.0592","0.0409","","","0.0938","0.1055","","","","","","0.987","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108372","9.2753","0.0009","9.9505","0.001","20.736","0.002","79.19","0.002","88.356","0.002","64.132","0.001","1688.4","0.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H39 N O S4 Si W -","- C32 H39 N O S4 Si W -","- C64 H78 N2 O2 S8 Si2 W2 -","2","1","","Stanislav Groysman; Jun-Jieh Wang; Ranitendranath Tagore; Sonny C. Lee; Richard H. Holm","A Biomimetic Approach to Oxidized Sites in the Xanthine Oxidoreductase Family: Synthesis and Stereochemistry of Tungsten(VI) Analogue Complexes","Journal of the American Chemical Society","2008","130","","12794","12807","10.1021/ja804000k","","","0.71073","MoKα","","0.048","0.0408","","","0.0987","0.1056","","","","","","0.951","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108373","15.733","0.002","14.3721","0.0019","13.6617","0.0018","90","","102.852","0.002","90","","3011.7","0.7","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cl2 Cu2 N6 O6 -","- C26 H38 Cl2 Cu2 N6 O6 -","- C104 H152 Cl8 Cu8 N24 O24 -","4","1","","Lijun Tang; Jinhee Park; Hae-Jo Kim; Youngmee Kim; Sung Jin Kim; Jik Chin; Kwan Mook Kim","Tight Binding and Fluorescent Sensing of Oxalate in Water","Journal of the American Chemical Society","2008","130","","12606","12607","10.1021/ja804753n","","","0.71073","MoKα","","0.0478","0.0357","","","0.0961","0.1009","","","","","","1.055","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108374","10.6171","0.0003","12.0557","0.0004","15.7265","0.0007","90","","108.334","0.001","90","","1910.76","0.12","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Br N2 O2 S2 -","- C19 H19 Br N2 O2 S2 -","- C76 H76 Br4 N8 O8 S8 -","4","1","","Venukrishnan Komanduri; Christopher D. Grant; Michael J. Krische","Branch-Selective Reductive Coupling of 2-Vinyl Pyridines and Imines via Rhodium Catalyzed C-C Bond Forming Hydrogenation","Journal of the American Chemical Society","2008","130","","12592","12593","10.1021/ja805056g","","","0.71073","MoKα","","0.0404","0.0291","","","0.0653","0.07","","","","","","0.997","","","","has coordinates,has disorder","178829","2020-10-21","18:00:00",""
"4108375","18.0042","0.0003","19.4639","0.0003","17.5579","0.0002","90","","113.538","0.0006","90","","5640.88","0.15","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H41 N O10 S3 -","- C79.5 H41 N O10 S3 -","- C318 H164 N4 O40 S12 -","4","1","","Gaihong Zhang; Shaohua Huang; Zuo Xiao; Quan Chen; Liangbing Gan; Zheming Wang","Preparation of Azafullerene Derivatives from Fullerene-Mixed Peroxides and Single Crystal X-ray Structures of Azafulleroid and Azafullerene","Journal of the American Chemical Society","2008","130","","12614","12615","10.1021/ja805072h","","","0.71073","MoKα","","0.16","0.0834","","","0.207","0.2391","","","","","","1.012","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4108376","21.7515","0.0003","22.0969","0.0005","10.217","0.0002","90","","90","","90","","4910.71","0.16","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C75 H36 Br N O8 -","- C75 H36 Br N O8 -","- C300 H144 Br4 N4 O32 -","4","0.5","","Gaihong Zhang; Shaohua Huang; Zuo Xiao; Quan Chen; Liangbing Gan; Zheming Wang","Preparation of Azafullerene Derivatives from Fullerene-Mixed Peroxides and Single Crystal X-ray Structures of Azafulleroid and Azafullerene","Journal of the American Chemical Society","2008","130","","12614","12615","10.1021/ja805072h","","","0.71073","MoKα","","0.1147","0.0503","","","0.1201","0.1408","","","","","","0.989","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108377","17.2715","0.0004","17.2715","0.0004","17.2715","0.0004","90","","90","","90","","5152.2","0.2","153","2","153","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-90","","","- C48 H36 N24 O12 Zn6 -","- C48 H36 N24 O12 Zn6 -","- C96 H72 N48 O24 Zn12 -","2","0.0416667","","William Morris; Christian J. Doonan; Hiroyasu Furukawa; Rahul Banerjee; Omar M. Yaghi","Crystals as Molecules: Postsynthesis Covalent Functionalization of Zeolitic Imidazolate Frameworks","Journal of the American Chemical Society","2008","130","","12626","12627","10.1021/ja805222x","","","1.54178","CuKα","","0.1455","0.1447","","","0.3474","0.3497","","","","","","1.838","","","","has coordinates,has disorder","178829","2020-10-21","18:00:00",""
"4108378","9.699","0.002","9.703","0.002","10.404","0.002","67.072","0.002","80.77","0.003","67.852","0.002","835.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 B F10 P -","- C16 H10 B F10 P -","- C32 H20 B2 F20 P2 -","2","1","","Stephen J. Geier; Thomas M. Gilbert; Douglas W. Stephan","Activation of H2 by Phosphinoboranes R2PB(C6F5)2","Journal of the American Chemical Society","2008","130","","12632","12633","10.1021/ja805493y","","","0.71073","MoKα","","0.0544","0.039","","","0.0942","0.1029","","","","","","1.035","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108379","12.194","0.009","18.331","0.013","19.774","0.014","90","","90","","90","","4420","6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H18 B F10 P -","- C20 H18 B F10 P -","- C160 H144 B8 F80 P8 -","8","1","","Stephen J. Geier; Thomas M. Gilbert; Douglas W. Stephan","Activation of H2 by Phosphinoboranes R2PB(C6F5)2","Journal of the American Chemical Society","2008","130","","12632","12633","10.1021/ja805493y","","","0.71073","MoKα","","0.0821","0.0553","","","0.1494","0.1889","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108380","9.542","0.0017","12.872","0.002","19.447","0.003","96.656","0.002","95.583","0.002","109.144","0.002","2217.8","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 B F10 P -","- C20 H19 B F10 P -","- C80 H76 B4 F40 P4 -","4","2","","Stephen J. Geier; Thomas M. Gilbert; Douglas W. Stephan","Activation of H2 by Phosphinoboranes R2PB(C6F5)2","Journal of the American Chemical Society","2008","130","","12632","12633","10.1021/ja805493y","","","0.71073","MoKα","","0.2563","0.0949","","","0.2123","0.2839","","","","","","0.952","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108381","11.0086","0.0011","26.657","0.003","12.6812","0.0012","90","","111.034","0.002","90","","3473.4","0.6","373","2","373","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H63 N Ni P2 -","- C33 H63 N Ni P2 -","- C132 H252 N4 Ni4 P8 -","4","0.5","","Rory Waterman; Gregory L. Hillhouse","η2-Organoazide Complexes of Nickel and Their Conversion to Terminal Imido Complexes via Dinitrogen Extrusion","Journal of the American Chemical Society","2008","130","","12628","12629","10.1021/ja805530z","","","0.71073","MoKα","","0.0786","0.0687","","","0.2088","0.2167","","","","","","1.114","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108382","8.6921","0.0008","21.3953","0.0019","16.4939","0.0015","90","","102.456","0.002","90","","2995.2","0.5","373","2","373","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H51 N3 Ni P2 -","- C27 H51 N3 Ni P2 -","- C108 H204 N12 Ni4 P8 -","4","1","","Rory Waterman; Gregory L. Hillhouse","η2-Organoazide Complexes of Nickel and Their Conversion to Terminal Imido Complexes via Dinitrogen Extrusion","Journal of the American Chemical Society","2008","130","","12628","12629","10.1021/ja805530z","","","0.71073","MoKα","","0.0703","0.0517","","","0.1087","0.1158","","","","","","1.035","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108383","19.401","0.003","16.398","0.002","20.871","0.003","90","","101.635","0.003","90","","6503.4","1.6","373","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H58 N Ni P2 -","- C30.5 H58 N Ni P2 -","- C244 H464 N8 Ni8 P16 -","8","1","","Rory Waterman; Gregory L. Hillhouse","η2-Organoazide Complexes of Nickel and Their Conversion to Terminal Imido Complexes via Dinitrogen Extrusion","Journal of the American Chemical Society","2008","130","","12628","12629","10.1021/ja805530z","","","0.71073","MoKα","","0.0688","0.0515","","","0.1195","0.1264","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108384","11.7111","0.0014","15.1445","0.0019","17.514","0.002","90","","98.285","0.002","90","","3073.8","0.6","378","2","378","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H55 N3 Ni O0 P2 -","- C28 H55 N3 Ni P2 -","- C112 H220 N12 Ni4 P8 -","4","1","","Rory Waterman; Gregory L. Hillhouse","η2-Organoazide Complexes of Nickel and Their Conversion to Terminal Imido Complexes via Dinitrogen Extrusion","Journal of the American Chemical Society","2008","130","","12628","12629","10.1021/ja805530z","","","0.71073","MoKα","","0.0574","0.0447","","","0.0958","0.1007","","","","","","1.026","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108385","11.3584","0.0013","22.03","0.003","20.938","0.002","90","","101.35","0.001","90","","5136.8","1","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Gd@C82Ad","Gd@C82Ad","","- C96.5 H15.5 Cl1.5 Gd S3 -","- C96.5 H15.5 Cl1.5 Gd S3 -","- C386 H62 Cl6 Gd4 S12 -","4","1","","Takeshi Akasaka; Takayoshi Kono; Yuji Takematsu; Hidefumi Nikawa; Tsukasa Nakahodo; Takatsugu Wakahara; Midori O. Ishitsuka; Takahiro Tsuchiya; Yutaka Maeda; Michael T. H. Liu; Kenji Yoza; Tatsuhisa Kato; Kazunori Yamamoto; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase","Does Gd@C82 Have an Anomalous Endohedral Structure? Synthesis and Single Crystal X-ray Structure of the Carbene Adduct","Journal of the American Chemical Society","2008","130","","12840","12841","10.1021/ja802156n","","x-ray","0.71073","MoKα","","0.0763","0.0661","","","0.157","0.1644","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108386","11.3888","0.0012","22.081","0.002","21.014","0.002","90","","101.249","0.001","90","","5183","0.9","213","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Gd@C82Ad","Gd@C82Ad","","- C96.5 H15.5 Cl1.5 Gd S3 -","- C96.5 H15.5 Cl1.5 Gd S3 -","- C386 H62 Cl6 Gd4 S12 -","4","1","","Takeshi Akasaka; Takayoshi Kono; Yuji Takematsu; Hidefumi Nikawa; Tsukasa Nakahodo; Takatsugu Wakahara; Midori O. Ishitsuka; Takahiro Tsuchiya; Yutaka Maeda; Michael T. H. Liu; Kenji Yoza; Tatsuhisa Kato; Kazunori Yamamoto; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase","Does Gd@C82 Have an Anomalous Endohedral Structure? Synthesis and Single Crystal X-ray Structure of the Carbene Adduct","Journal of the American Chemical Society","2008","130","","12840","12841","10.1021/ja802156n","","x-ray","0.71073","MoKα","","0.0876","0.0735","","","0.1824","0.1933","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108387","11.41","0.004","22.139","0.008","21.097","0.008","90","","101.145","0.004","90","","5229","3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Gd@C82Ad","Gd@C82Ad","","- C96.5 H15.5 Cl1.5 Gd S3 -","- C96.423 H15.5 Cl1.5 Gd S3 -","- C385.692 H62 Cl6 Gd4 S12 -","4","1","","Takeshi Akasaka; Takayoshi Kono; Yuji Takematsu; Hidefumi Nikawa; Tsukasa Nakahodo; Takatsugu Wakahara; Midori O. Ishitsuka; Takahiro Tsuchiya; Yutaka Maeda; Michael T. H. Liu; Kenji Yoza; Tatsuhisa Kato; Kazunori Yamamoto; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase","Does Gd@C82 Have an Anomalous Endohedral Structure? Synthesis and Single Crystal X-ray Structure of the Carbene Adduct","Journal of the American Chemical Society","2008","130","","12840","12841","10.1021/ja802156n","","x-ray","0.71073","MoKα","","0.0979","0.0805","","","0.2124","0.2273","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108388","25.1848","0.0007","15.116","0.0005","19.7406","0.0007","90","","95.063","0.001","90","","7485.8","0.4","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Tb2@C79N.NiOEP.2benzene","","","- C128 H56 N4 Ni Tb2 -","- C129.5 H56 N4 Ni Tb2.0004 -","- C518 H224 N16 Ni4 Tb8.0016 -","4","0.5","","Tianming Zuo; Liaosa Xu; Christine M. Beavers; Marilyn M. Olmstead; Wujun Fu; T. Daniel Crawford; Alan L. Balch; Harry C. Dorn","M2@C79N (M = Y, Tb): Isolation and Characterization of Stable Endohedral Metallofullerenes Exhibiting M-M Bonding Interactions inside Aza[80]fullerene Cages","Journal of the American Chemical Society","2008","130","","12992","12997","10.1021/ja802417d","","","0.7749","synchrotron","","0.0909","0.0844","","","0.2357","0.2435","","","","","","1.033","","","","has coordinates,has disorder","178829","2020-10-21","18:00:00",""
"4108389","23.422","0.003","12.7232","0.0014","33.774","0.004","90","","108.588","0.002","90","","9540","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H90 Mo O3 P Si3 -","- C39 H90 Mo O3 P Si3 -","- C312 H720 Mo8 O24 P8 Si24 -","8","1","","David S. Kuiper; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari","Low Coordinate, Monomeric Molybdenum and Tungsten(III) Complexes: Structure, Reactivity and Calculational Studies of (silox)3Mo and (silox)3ML (M = Mo, W; L = PMe3, CO; silox =tBu3SiO)","Journal of the American Chemical Society","2008","130","","12931","12943","10.1021/ja802706u","","","0.71073","MoKα","","0.0609","0.0381","","","0.0901","0.0971","","","","","","1.034","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108390","12.9564","0.0011","20.469","0.0017","21.6634","0.0017","63.76","0.004","80.022","0.004","76.894","0.004","5001.4","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H180 O6 P2 Si6 W2 -","- C78 H180 O6 P2 Si6 W2 -","- C156 H360 O12 P4 Si12 W4 -","2","1","","David S. Kuiper; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari","Low Coordinate, Monomeric Molybdenum and Tungsten(III) Complexes: Structure, Reactivity and Calculational Studies of (silox)3Mo and (silox)3ML (M = Mo, W; L = PMe3, CO; silox =tBu3SiO)","Journal of the American Chemical Society","2008","130","","12931","12943","10.1021/ja802706u","","","0.71073","MoKα","","0.0528","0.0322","","","0.0725","0.0764","","","","","","0.967","","","","has coordinates,has disorder","178829","2020-10-21","18:00:00",""
"4108391","8.684","0.002","21.091","0.004","24.354","0.005","90","","94.12","0.03","90","","4449","1.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H81 O4 Si3 W -","- C37 H81 O4 Si3 W -","- C148 H324 O16 Si12 W4 -","4","1","","David S. Kuiper; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari","Low Coordinate, Monomeric Molybdenum and Tungsten(III) Complexes: Structure, Reactivity and Calculational Studies of (silox)3Mo and (silox)3ML (M = Mo, W; L = PMe3, CO; silox =tBu3SiO)","Journal of the American Chemical Society","2008","130","","12931","12943","10.1021/ja802706u","","","0.71073","MoKα","","0.0477","0.0368","","0.0912","0.0865","","","","1.107","1.143","1.143","","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108392","11.4799","0.0013","17.225","0.002","17.214","0.002","90","","103.884","0.002","90","","3304.5","0.7","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C160 H192 O16 -","8","2","","Song Lin; Chun-Xiao Song; Gui-Xin Cai; Wen-Hua Wang; Zhang-Jie Shi","Intra/Intermolecular Direct Allylic Alkylation via Pd(II)-Catalyzed Allylic C-H Activation","Journal of the American Chemical Society","2008","130","","12901","12903","10.1021/ja803452p","","","0.71073","MoKα","","0.1663","0.0544","","","0.1158","0.176","","","","","","1.037","","","","has coordinates,has disorder","178829","2020-10-21","18:00:00",""
"4108393","8.3412","0.0017","8.8546","0.0018","12.46","0.003","69.39","0.03","75.89","0.03","80.67","0.03","832.4","0.4","211","2","211","2","","","","","","","","3","P -1","-P 1","2","PIIV09","dimethyl 6-acetyl-7-methyl-4-methylideneoctahydroazulene-2,2(1H)- dicarboxylate","","- C18 H24 O5 -","- C18 H24 O5 -","- C36 H48 O10 -","2","1","","P. Andrew Evans; Phillip A. Inglesby","Intermolecular Rhodium-Catalyzed [3+2+2] Carbocyclization of Alkenylidenecyclopropanes with Activated Alkynes: Regio- and Diastereoselective Construction of cis-Fused Bicycloheptadienes","Journal of the American Chemical Society","2008","130","","12838","12839","10.1021/ja803691p","","","0.71073","MoKα","","0.0479","0.0398","","","0.1016","0.1054","","","","","","1.032","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108394","13.651","0.003","11.617","0.002","11.148","0.002","90","","103.73","0.03","90","","1717.4","0.6","211","2","211","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","PIIV15","dimethyl 6-acetyl-3a-methyl-8-methylideneoctahydroazulene- 2,2(1H)-dicarboxylate","","- C18 H24 O5 -","- C18 H24 O5 -","- C72 H96 O20 -","4","1","","P. Andrew Evans; Phillip A. Inglesby","Intermolecular Rhodium-Catalyzed [3+2+2] Carbocyclization of Alkenylidenecyclopropanes with Activated Alkynes: Regio- and Diastereoselective Construction of cis-Fused Bicycloheptadienes","Journal of the American Chemical Society","2008","130","","12838","12839","10.1021/ja803691p","","","0.71073","MoKα","","0.0819","0.0435","","","0.0805","0.0891","","","","","","0.832","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108395","19.797","0.005","10.686","0.003","17.708","0.005","90","","95.527","0.005","90","","3728.7","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","PI-111-74","","","- C20 H25 N O4 S -","- C20 H25 N O4 S -","- C160 H200 N8 O32 S8 -","8","1","","P. Andrew Evans; Phillip A. Inglesby","Intermolecular Rhodium-Catalyzed [3+2+2] Carbocyclization of Alkenylidenecyclopropanes with Activated Alkynes: Regio- and Diastereoselective Construction of cis-Fused Bicycloheptadienes","Journal of the American Chemical Society","2008","130","","12838","12839","10.1021/ja803691p","","","0.71073","MoKα","","0.0514","0.0383","","","0.095","0.1","","","","","","1.038","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108396","28.827","0.002","28.827","0.002","7.7483","0.0013","90","","90","","120","","5576.2","1.1","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C11 H14 N6 O -","- C11.1443 H14.336 N6.048 O1.048 -","- C200.598 H258.048 N108.864 O18.864 -","18","1","","Ali Asadi; Brian O. Patrick; David M. Perrin","G^C Quartet - A DNA-Inspired Janus-GC Heterocycle: Synthesis, Structural Analysis, and Self-Organization","Journal of the American Chemical Society","2008","130","","12860","12861","10.1021/ja8047128","","","0.71073","MoKα","","0.0517","0.0422","","","0.1088","0.1152","","","","","","1.05","","","","has coordinates,has disorder","178829","2020-10-21","18:00:00",""
"4108397","28.263","0.005","8.5974","0.0011","19.975","0.003","90","","93.396","0.005","90","","4845.2","1.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N7 O2 -","- C12.6667 H19.3333 N4.66667 O6.67667 -","- C152 H232 N56 O80.12 -","12","1.5","","Ali Asadi; Brian O. Patrick; David M. Perrin","G^C Quartet - A DNA-Inspired Janus-GC Heterocycle: Synthesis, Structural Analysis, and Self-Organization","Journal of the American Chemical Society","2008","130","","12860","12861","10.1021/ja8047128","","","0.71073","MoKα","","0.0608","0.0395","","","0.1028","0.124","","","","","","1.003","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108398","20.67","0.0005","27.198","0.0007","28.726","0.0009","90","","90","","90","","16149.3","0.8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C96 H82 Cl Cs F N5 O14 -","- C84 Cl3 Cs F N4 O11 -","- C672 Cl24 Cs8 F8 N32 O88 -","8","1","","Jonathan L. Sessler; Sung Kuk Kim; Dustin E. Gross; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch","Crown-6-calix[4]arene-Capped Calix[4]pyrrole: An Ion-Pair Receptor for Solvent-Separated CsF Ions","Journal of the American Chemical Society","2008","130","","13162","13166","10.1021/ja804976f","","","0.7107","MoKα","","0.2815","0.1683","","","0.3399","0.4349","","","","","","1.047","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108399","13.4993","0.0002","26.0185","0.0007","19.6409","0.0005","90","0.005","100.663","0.002","90","0.005","6779.4","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H86 Cs F N4 O8 -","- C77 H86 Cs F N4 O8 -","- C308 H344 Cs4 F4 N16 O32 -","4","1","","Jonathan L. Sessler; Sung Kuk Kim; Dustin E. Gross; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch","Crown-6-calix[4]arene-Capped Calix[4]pyrrole: An Ion-Pair Receptor for Solvent-Separated CsF Ions","Journal of the American Chemical Society","2008","130","","13162","13166","10.1021/ja804976f","","","0.71073","MoKα","","0.0803","0.0418","","","0.0839","0.0973","","","","","","1.019","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108400","9.872","0.002","9.8736","0.0019","12.086","0.002","70.579","0.003","69.775","0.003","60.317","0.003","941.4","0.3","300","2","300","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H22 N2 -","- C24 H22 N2 -","- C48 H44 N4 -","2","1","","Yoshiaki Nakao; Shiro Ebata; Akira Yada; Tamejiro Hiyama; Masashi Ikawa; Sensuke Ogoshi","Intramolecular Arylcyanation of Alkenes Catalyzed by Nickel/AlMe2Cl","Journal of the American Chemical Society","2008","130","","12874","12875","10.1021/ja805088r","","","0.71073","MoKα","","0.0521","0.0463","","","0.1314","0.1366","","","","","","1.075","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108401","10.7665","0.0009","20.8961","0.0016","20.9391","0.0016","81.9439","0.0018","79.336","0.002","81.22","0.002","4544.8","0.6","273.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H73 Al Cl N Ni P2 -","- C38 H73 Al Cl N Ni P2 -","- C152 H292 Al4 Cl4 N4 Ni4 P8 -","4","2","","Yoshiaki Nakao; Shiro Ebata; Akira Yada; Tamejiro Hiyama; Masashi Ikawa; Sensuke Ogoshi","Intramolecular Arylcyanation of Alkenes Catalyzed by Nickel/AlMe2Cl","Journal of the American Chemical Society","2008","130","","12874","12875","10.1021/ja805088r","","","0.71075","MoKα","","","0.1113","","","","0.1163","","","","","","4.226","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108402","9.6659","0.0011","14.4842","0.0015","15.7784","0.0018","81.377","0.003","81.904","0.003","86.67","0.003","2160.7","0.4","123.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H73 Al Cl N Ni P2 -","- C38 H73 Al Cl N Ni P2 -","- C76 H146 Al2 Cl2 N2 Ni2 P4 -","2","1","","Yoshiaki Nakao; Shiro Ebata; Akira Yada; Tamejiro Hiyama; Masashi Ikawa; Sensuke Ogoshi","Intramolecular Arylcyanation of Alkenes Catalyzed by Nickel/AlMe2Cl","Journal of the American Chemical Society","2008","130","","12874","12875","10.1021/ja805088r","","","0.71075","MoKα","","","0.0866","","","","0.3001","","","","","","1.183","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108403","27.2736","0.001","6.5729","0.0002","11.141","0.0005","90","","94.704","0.002","90","","1990.48","0.13","200","2","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C15 H20 Cl2 N O6 V -","- C15 H20 Cl2 N O6 V -","- C60 H80 Cl8 N4 O24 V4 -","4","1","","Chien-Tien Chen; Ya-Hui Lin; Ting-Shen Kuo","Directed Assembly of Chiral Oxidovanadium(V) Methoxides into C4-Symmetric Metal(I) Vanadate-Centered Quadruplexes: Synergistic K± and Ag±specific Transport","Journal of the American Chemical Society","2008","130","","12842","12843","10.1021/ja8051552","","","0.71073","MoKα","","0.061","0.0435","","","0.0942","0.1061","","","","","","1.061","","","","has coordinates,has disorder","178830","2020-10-21","18:00:00",""
"4108404","15.2879","0.0004","12.7171","0.0004","20.9195","0.0007","90","","103.167","0.001","90","","3960.2","0.2","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C56 H70 Cl8 K N4 O26 V5 -","- C56 H52 Cl8 K N4 O26 V5 -","- C112 H104 Cl16 K2 N8 O52 V10 -","2","1","","Chien-Tien Chen; Ya-Hui Lin; Ting-Shen Kuo","Directed Assembly of Chiral Oxidovanadium(V) Methoxides into C4-Symmetric Metal(I) Vanadate-Centered Quadruplexes: Synergistic K± and Ag±specific Transport","Journal of the American Chemical Society","2008","130","","12842","12843","10.1021/ja8051552","","","0.71073","MoKα","","0.1114","0.0768","","","0.1905","0.2152","","","","","","1.071","","","","has coordinates,has disorder","178830","2020-10-21","18:00:00",""
"4108405","15.2137","0.0004","12.7086","0.0003","21.7372","0.0006","90","","107.063","0.001","90","","4017.78","0.18","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52 H52 Cl8 Cs N4 O21 V5 -","- C52 H52 Cl8 Cs N4 O21 V5 -","- C104 H104 Cl16 Cs2 N8 O42 V10 -","2","1","","Chien-Tien Chen; Ya-Hui Lin; Ting-Shen Kuo","Directed Assembly of Chiral Oxidovanadium(V) Methoxides into C4-Symmetric Metal(I) Vanadate-Centered Quadruplexes: Synergistic K± and Ag±specific Transport","Journal of the American Chemical Society","2008","130","","12842","12843","10.1021/ja8051552","","","0.71073","MoKα","","0.057","0.0419","","","0.1009","0.1066","","","","","","0.973","","","","has coordinates,has disorder","178830","2020-10-21","18:00:00",""
"4108406","25.21","0.0002","15.502","0.0002","38.329","0.0004","90","","103.58","","90","","14560.4","0.3","200","2","200","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C214 H243 Ag3 B0 Cl24 N41 O63 V15 -","- C214 H243 Ag3 Cl24 N41 O63 V15 -","- C428 H486 Ag6 Cl48 N82 O126 V30 -","2","0.5","","Chien-Tien Chen; Ya-Hui Lin; Ting-Shen Kuo","Directed Assembly of Chiral Oxidovanadium(V) Methoxides into C4-Symmetric Metal(I) Vanadate-Centered Quadruplexes: Synergistic K± and Ag±specific Transport","Journal of the American Chemical Society","2008","130","","12842","12843","10.1021/ja8051552","","","0.71073","MoKα","","0.0518","0.0439","","","0.1296","0.1394","","","","","","1.01","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108407","10.4406","0.0011","12.2497","0.0013","18.53","0.002","83.963","0.003","86.405","0.002","65.306","0.002","2140.8","0.4","110","","110","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C45 H77 B Cl P2 Ru -","- C45 H77 B Cl P2 Ru -","- C90 H154 B2 Cl2 P4 Ru2 -","2","1","","Gilles Alcaraz; Ulrike Helmstedt; Eric Clot; Laure Vendier; Sylviane Sabo-Etienne","A Terminal Borylene Ruthenium Complex: From B-H Activation to Reversible Hydrogen Release","Journal of the American Chemical Society","2008","130","","12878","12879","10.1021/ja805164n","","","","MoKα","","0.0643","0.05","","","0.1056","0.1129","","","","","","1.062","","","","has coordinates,has disorder","178830","2020-10-21","18:00:00",""
"4108408","11.3972","0.0007","12.7454","0.0008","15.7096","0.001","90","","92.677","0.001","90","","2279.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 B N -","- C29 H30 B N -","- C116 H120 B4 N4 -","4","1","","Ying-Li Rao; Hazem Amarne; Shu-Bin Zhao; Theresa M. McCormick; Sanela Martić; Yi Sun; Rui-Yao Wang; Suning Wang","Reversible Intramolecular C-C Bond Formation/Breaking and Color Switching Mediated by a N,C-Chelate in (2-ph-py)BMes2 and (5-BMes2-2-ph-py)BMes2","Journal of the American Chemical Society","2008","130","","12898","12900","10.1021/ja8052046","","","0.71073","MoKα","","0.0669","0.0475","","","0.1303","0.1437","","","","","","1.074","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4108409","12.021","0.008","12.104","0.008","13.193","0.009","107.38","0.008","101.907","0.008","102.516","0.008","1711","2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H42 B Cl2 N -","- C39 H42 B Cl2 N -","- C78 H84 B2 Cl4 N2 -","2","1","","Ying-Li Rao; Hazem Amarne; Shu-Bin Zhao; Theresa M. McCormick; Sanela Martić; Yi Sun; Rui-Yao Wang; Suning Wang","Reversible Intramolecular C-C Bond Formation/Breaking and Color Switching Mediated by a N,C-Chelate in (2-ph-py)BMes2 and (5-BMes2-2-ph-py)BMes2","Journal of the American Chemical Society","2008","130","","12898","12900","10.1021/ja8052046","","","0.71073","MoKα","","0.2642","0.0878","","","0.2033","0.2942","","","","","","0.911","","","","has coordinates,has disorder","178830","2020-10-21","18:00:00",""
"4108410","15.292","0.004","24.012","0.006","21.457","0.005","90","","90","","90","","7879","3","180","2","180","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C47 H51 B2 N -","- C47 H51 B2 N -","- C376 H408 B16 N8 -","8","2","","Ying-Li Rao; Hazem Amarne; Shu-Bin Zhao; Theresa M. McCormick; Sanela Martić; Yi Sun; Rui-Yao Wang; Suning Wang","Reversible Intramolecular C-C Bond Formation/Breaking and Color Switching Mediated by a N,C-Chelate in (2-ph-py)BMes2 and (5-BMes2-2-ph-py)BMes2","Journal of the American Chemical Society","2008","130","","12898","12900","10.1021/ja8052046","","","0.71073","MoKα","","0.1178","0.0541","","","0.1089","0.1397","","","","","","1.053","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4108411","13.565","0.005","13.565","0.005","15.503","0.013","90","","90","","90","","2853","3","293","2","293","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","","","","- C14 H6 In N O8 S2 -","- C14 H4 In N O8 S2 -","- C56 H16 In4 N4 O32 S8 -","4","0.5","","Jian Zhang; Shumei Chen; Tao Wu; Pingyun Feng; Xianhui Bu","Homochiral Crystallization of Microporous Framework Materials from Achiral Precursors by Chiral Catalysis","Journal of the American Chemical Society","2008","130","","12882","12883","10.1021/ja805272j","","","0.71073","MoKα","","0.0767","0.0488","","","0.1145","0.1259","","","","","","1.024","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108412","13.559","","13.559","","15.6782","0.0002","90","","90","","90","","2882.38","0.04","293","2","293","2","","","","","","","","6","P 43 2 2","P 4cw 2c","95","","","","- C14 H4 In N O8 S2 -","- C14 H4 In N O8 S2 -","- C56 H16 In4 N4 O32 S8 -","4","0.5","","Jian Zhang; Shumei Chen; Tao Wu; Pingyun Feng; Xianhui Bu","Homochiral Crystallization of Microporous Framework Materials from Achiral Precursors by Chiral Catalysis","Journal of the American Chemical Society","2008","130","","12882","12883","10.1021/ja805272j","","","0.71073","MoKα","","0.0452","0.0392","","","0.1457","0.1543","","","","","","1.179","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108413","13.577","0.0004","13.577","0.0004","15.5394","0.0009","90","","90","","90","","2864.5","0.2","293","2","293","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","","","","- C14 H6 In N O8 S2 -","- C14 H4 In N O8 S2 -","- C56 H16 In4 N4 O32 S8 -","4","0.5","","Jian Zhang; Shumei Chen; Tao Wu; Pingyun Feng; Xianhui Bu","Homochiral Crystallization of Microporous Framework Materials from Achiral Precursors by Chiral Catalysis","Journal of the American Chemical Society","2008","130","","12882","12883","10.1021/ja805272j","","","0.71073","MoKα","","0.0507","0.0378","","","0.0992","0.106","","","","","","1.117","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108414","13.51","0.0001","13.51","0.0001","16.0684","0.0003","90","","90","","90","","2932.81","0.06","293","2","293","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","","","","- C16 H16 In N O8 S2 -","- C16 H8 In N O8 S2 -","- C64 H32 In4 N4 O32 S8 -","4","0.5","","Jian Zhang; Shumei Chen; Tao Wu; Pingyun Feng; Xianhui Bu","Homochiral Crystallization of Microporous Framework Materials from Achiral Precursors by Chiral Catalysis","Journal of the American Chemical Society","2008","130","","12882","12883","10.1021/ja805272j","","","0.71073","MoKα","","0.062","0.0526","","","0.1788","0.1842","","","","","","1.234","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108415","13.5065","0.0002","13.5065","0.0002","15.9076","0.0004","90","","90","","90","","2901.95","0.09","293","2","293","2","","","","","","","","6","P 43 2 2","P 4cw 2c","95","","","","- C16 H16 In N O8 S2 -","- C16 H4 In N O8 S2 -","- C64 H16 In4 N4 O32 S8 -","4","0.5","","Jian Zhang; Shumei Chen; Tao Wu; Pingyun Feng; Xianhui Bu","Homochiral Crystallization of Microporous Framework Materials from Achiral Precursors by Chiral Catalysis","Journal of the American Chemical Society","2008","130","","12882","12883","10.1021/ja805272j","","","0.71073","MoKα","","0.0824","0.0602","","","0.1916","0.2001","","","","","","1.099","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108416","8.4","0.004","9.951","0.005","11.472","0.007","84.65","0.03","71.48","0.03","70.1","0.03","854.9","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 Cl2 O2 -","- C20 H18 Cl2 O2 -","- C40 H36 Cl4 O4 -","2","1","","Michael A. Ischay; Mary E. Anzovino; Juana Du; Tehshik P. Yoon","Efficient Visible Light Photocatalysis of [2+2] Enone Cycloadditions","Journal of the American Chemical Society","2008","130","","12886","12887","10.1021/ja805387f","","","1.54178","Cu-Kα","","0.0297","0.029","","","0.0775","0.0782","","","","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108417","12.634","0.003","13.905","0.003","14.845","0.004","90.303","0.005","112.075","0.004","95.868","0.004","2401.4","1","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C107 H93 B F20 N2 O2 Pd Si2 -","- C107 H93 B F20 N2 O2 Pd Si2 -","- C107 H93 B F20 N2 O2 Pd Si2 -","1","1","","Changle Chen; Shuji Luo; Richard F. Jordan","Multiple Insertion of a Silyl Vinyl Ether by (α-Diimine)PdMe+ Species","Journal of the American Chemical Society","2008","130","","12892","12893","10.1021/ja8056858","","","0.71073","MoKα","","0.0506","0.0457","","","0.0847","0.0869","","","","","","0.894","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108418","12.68","0.008","13.926","0.009","14.868","0.009","90.3","0.011","111.83","0.01","95.895","0.011","2422","3","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C107 H93 B F20 N2 O2 Pd Si2 -","- C107 H93 B F20 N2 O2 Pd Si2 -","- C107 H93 B F20 N2 O2 Pd Si2 -","1","1","","Changle Chen; Shuji Luo; Richard F. Jordan","Multiple Insertion of a Silyl Vinyl Ether by (α-Diimine)PdMe+ Species","Journal of the American Chemical Society","2008","130","","12892","12893","10.1021/ja8056858","","","0.71073","MoKα","","0.0562","0.0525","","","0.1179","0.1226","","","","","","1.049","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108419","8.5863","0.0013","10.8754","0.0017","9.9485","0.0016","90","","111.535","0.002","90","","864.1","0.2","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O4 -","- C19 H28 O4 -","- C38 H56 O8 -","2","1","","M. Kevin Brown; Amir H. Hoveyda","Enantioselective Total Synthesis of Clavirolide C. Applications of Cu-Catalyzed Asymmetric Conjugate Additions and Ru-Catalyzed Ring-Closing Metathesis","Journal of the American Chemical Society","2008","130","","12904","12906","10.1021/ja8058414","","","0.71073","MoKα","","0.1046","0.0593","","","0.0896","0.1029","","","","","","1.014","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108420","9.328","0.002","10.513","0.003","9.388","0.002","90","","98.241","0.004","90","","911.1","0.4","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C40 H64 O8 -","2","1","","M. Kevin Brown; Amir H. Hoveyda","Enantioselective Total Synthesis of Clavirolide C. Applications of Cu-Catalyzed Asymmetric Conjugate Additions and Ru-Catalyzed Ring-Closing Metathesis","Journal of the American Chemical Society","2008","130","","12904","12906","10.1021/ja8058414","","","0.71073","MoKα","","0.0998","0.0581","","","0.0846","0.0967","","","","","","1.013","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108421","22.3407","0.0007","10.1916","0.0003","14.7991","0.0009","90","","100.743","0.003","90","","3310.5","0.2","200","1","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H20 Br4 N6 O8 -","- C36 H20 Br4 N6 O8 -","- C144 H80 Br16 N24 O32 -","4","1","","Sachio Horiuchi; Reiji Kumai; Yusuke Tokunaga; Yoshinori Tokura","Proton Dynamics and Room-Temperature Ferroelectricity in Anilate Salts with a Proton Sponge","Journal of the American Chemical Society","2008","130","","13382","13391","10.1021/ja8032235","","","0.9979","synchrotron","","","0.024","","","","0.0305","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108422","22.309","0.004","10.188","0.002","14.696","0.003","90","","100.228","0.006","90","","3287.1","1.1","297","1","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H20 Cl4 N6 O8 -","- C36 H20 Cl4 N6 O8 -","- C144 H80 Cl16 N24 O32 -","4","0.5","","Sachio Horiuchi; Reiji Kumai; Yusuke Tokunaga; Yoshinori Tokura","Proton Dynamics and Room-Temperature Ferroelectricity in Anilate Salts with a Proton Sponge","Journal of the American Chemical Society","2008","130","","13382","13391","10.1021/ja8032235","","","0.6877","synchrotron","","","0.0316","","","","0.0395","","","","","","1.004","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108423","22.198","0.0011","10.1502","0.0004","14.5046","0.0008","90","","101.341","0.003","90","","3204.3","0.3","100","1","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H20 Cl4 N6 O8 -","- C36 H20 Cl4 N6 O8 -","- C144 H80 Cl16 N24 O32 -","4","1","","Sachio Horiuchi; Reiji Kumai; Yusuke Tokunaga; Yoshinori Tokura","Proton Dynamics and Room-Temperature Ferroelectricity in Anilate Salts with a Proton Sponge","Journal of the American Chemical Society","2008","130","","13382","13391","10.1021/ja8032235","","","0.6877","synchrotron","","","0.0215","","","","0.0243","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108424","22.4282","0.0013","10.2454","0.0006","14.9797","0.0015","90","","99.797","0.007","90","","3391.9","0.4","370","1","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H20 Br4 N6 O8 -","- C36 H20 Br4 N6 O8 -","- C144 H80 Br16 N24 O32 -","4","0.5","","Sachio Horiuchi; Reiji Kumai; Yusuke Tokunaga; Yoshinori Tokura","Proton Dynamics and Room-Temperature Ferroelectricity in Anilate Salts with a Proton Sponge","Journal of the American Chemical Society","2008","130","","13382","13391","10.1021/ja8032235","","","0.9979","synchrotron","","","0.0272","","","","0.0402","","","","","","0.993","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108425","13.3087","0.0004","17.4037","0.0005","24.3214","0.0007","90","","90","","90","","5633.3","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,3,5,6,2',3',5'6'-ocatabromo-4,4'-dihexylbiphenyl","","- C24 H26 Br8 -","- C24 H26 Br8 -","- C192 H208 Br64 -","8","1","","Cameron L. Hilton; Jeremy M. Crowfoot; Pawel Rempala; Benjamin T. King","18,18'-Dihexyl[9,9']biphenanthro[9,10-b]triphenylene: Construction and Consequences of a Profoundly Hindered Aryl-Aryl Single Bond","Journal of the American Chemical Society","2008","130","","13392","13399","10.1021/ja803396n","","","0.71073","MoKα","","0.0666","0.0362","","","0.0677","0.0727","","","","","","1","","","","has coordinates,has disorder","178830","2020-10-21","18:00:00",""
"4108426","8.9878","0.0001","15.3483","0.0002","21.4148","0.0003","86.272","0.001","89.261","0.001","78.793","0.001","2891.65","0.06","99","2","99","2","","","","","","","","2","P -1","-P 1","2","","18,18'-Di-n-hexyl[9,9']Bi[phenanthro[9,10-b]triphenylenyl]","","- C84 H70 -","- C84 H70 -","- C168 H140 -","2","1","","Cameron L. Hilton; Jeremy M. Crowfoot; Pawel Rempala; Benjamin T. King","18,18'-Dihexyl[9,9']biphenanthro[9,10-b]triphenylene: Construction and Consequences of a Profoundly Hindered Aryl-Aryl Single Bond","Journal of the American Chemical Society","2008","130","","13392","13399","10.1021/ja803396n","","","0.71073","MoKα","","0.0657","0.0417","","","0.0969","0.1071","","","","","","1.092","","","","has coordinates,has disorder","178830","2020-10-21","18:00:00",""
"4108427","8.9148","0.0015","13.982","0.002","21.42","0.004","104.888","0.003","96.43","0.003","94.489","0.003","2548.1","0.7","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","18,18'-Di-n-hexyl[9,9']Bi[phenanthro[9,10-b]triphenylenyl]","","- C75 H61 -","- C75 H61 -","- C150 H122 -","2","1","","Cameron L. Hilton; Jeremy M. Crowfoot; Pawel Rempala; Benjamin T. King","18,18'-Dihexyl[9,9']biphenanthro[9,10-b]triphenylene: Construction and Consequences of a Profoundly Hindered Aryl-Aryl Single Bond","Journal of the American Chemical Society","2008","130","","13392","13399","10.1021/ja803396n","","","0.71073","MoKα","","0.1135","0.0545","","","0.1176","0.1384","","","","","","0.916","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108428","14.1687","0.0016","6.9866","0.0009","31.257","0.003","90","","96.257","0.006","90","","3075.7","0.6","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 F3 N2 O3 -","- C16 H11 F3 N2 O3 -","- C128 H88 F24 N16 O24 -","8","2","","Jin-Yong Lu; John A. Keith; Wei-Zheng Shen; Markus Schürmann; Hans Preut; Timo Jacob; Hans-Dieter Arndt","Regioselective De Novo Synthesis of Cyanohydroxypyridines with a Concerted Cycloaddition Mechanism","Journal of the American Chemical Society","2008","130","","13219","13221","10.1021/ja804078v","","","0.71073","MoKα","","0.1941","0.0406","","","0.0658","0.0831","","","","","","0.915","","","","has coordinates,has disorder","178830","2020-10-21","18:00:00",""
"4108429","23.8603","0.0007","11.1601","0.0004","22.9338","0.0007","90","","105.447","0.002","90","","5886.3","0.3","100","1","100","1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C88 F30 -","- C88 F30 -","- C352 F120 -","4","0.5","","Ivan E. Kareev; Alexey A. Popov; Igor V. Kuvychko; Natalia B. Shustova; Sergey F. Lebedkin; Vyachevslav P. Bubnov; Oren P. Anderson; Konrad Seppelt; Steven H. Strauss; Olga V. Boltalina","Synthesis and X-ray or NMR/DFT Structure Elucidation of Twenty-One New Trifluoromethyl Derivatives of Soluble Cage Isomers of C76, C78, C84, and C90","Journal of the American Chemical Society","2008","130","","13471","13489","10.1021/ja8041614","","","0.71073","MoKα","","0.0491","0.0441","","","0.1195","0.123","","","","","","1.051","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108430","11.444","0.002","18.791","0.004","14.883","0.003","90","","110.048","0.01","90","","3006.6","1","100","1","100","1","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C95 H8 F30 -","- C95 H8 F30 -","- C190 H16 F60 -","2","0.5","","Ivan E. Kareev; Alexey A. Popov; Igor V. Kuvychko; Natalia B. Shustova; Sergey F. Lebedkin; Vyachevslav P. Bubnov; Oren P. Anderson; Konrad Seppelt; Steven H. Strauss; Olga V. Boltalina","Synthesis and X-ray or NMR/DFT Structure Elucidation of Twenty-One New Trifluoromethyl Derivatives of Soluble Cage Isomers of C76, C78, C84, and C90","Journal of the American Chemical Society","2008","130","","13471","13489","10.1021/ja8041614","","","0.71073","MoKα","","0.0752","0.0557","","","0.155","0.1695","","","","","","1.071","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108431","18.526","0.005","14.922","0.005","26.019","0.008","90","","96.03","0.008","90","","7153","4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H5 Br F36 -","- C96 H5 Br F36 -","- C384 H20 Br4 F144 -","4","1","","Ivan E. Kareev; Alexey A. Popov; Igor V. Kuvychko; Natalia B. Shustova; Sergey F. Lebedkin; Vyachevslav P. Bubnov; Oren P. Anderson; Konrad Seppelt; Steven H. Strauss; Olga V. Boltalina","Synthesis and X-ray or NMR/DFT Structure Elucidation of Twenty-One New Trifluoromethyl Derivatives of Soluble Cage Isomers of C76, C78, C84, and C90","Journal of the American Chemical Society","2008","130","","13471","13489","10.1021/ja8041614","","","0.71073","MoKα","","0.1012","0.0673","","","0.1663","0.1819","","","","","","1.072","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108432","11.439","0.002","11.76","0.002","10.777","0.002","90","","97.55","0.03","90","","1437.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O5 -","- C14 H18 N2 O5 -","- C56 H72 N8 O20 -","4","1","","Xuechen Li; Yu Yuan; William F. Berkowitz; Louis J. Todaro; Samuel J. Danishefsky","On the Two-Component Microwave-Mediated Reaction of Isonitriles with Carboxylic Acids: Regarding Alleged Formimidate Carboxylate Mixed Anhydrides","Journal of the American Chemical Society","2008","130","","13222","13224","10.1021/ja8047078","","","0.71073","MoKα","","0.0743","0.0487","","","0.1048","0.1171","","","","","","1.039","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108433","13.0871","0.001","15.2737","0.0011","17.7536","0.0013","90","","104.463","0.001","90","","3436.3","0.4","208","2","208","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","VM-565-90-1","","","- C34 H50 Cl2 Ir N2 O2 P -","- C34 H50 Cl2 Ir N2 O2 P -","- C136 H200 Cl8 Ir4 N8 O8 P4 -","4","1","","Valentín Miranda-Soto; Douglas B. Grotjahn; Antonio G. DiPasquale; Arnold L. Rheingold","Imidazol-2-yl Complexes of Cp*Ir as Bifunctional Ambident Reactants","Journal of the American Chemical Society","2008","130","","13200","13201","10.1021/ja804713u","","","0.71073","MoKα","","0.0245","0.021","","","0.0498","0.0516","","","","","","1.047","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4108434","18.4917","0.0011","8.3646","0.0005","18.3085","0.0011","90","","95.023","0.001","90","","2821","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 Cl Ir N2 P -","- C31 H39 Cl Ir N2 P -","- C124 H156 Cl4 Ir4 N8 P4 -","4","1","","Valentín Miranda-Soto; Douglas B. Grotjahn; Antonio G. DiPasquale; Arnold L. Rheingold","Imidazol-2-yl Complexes of Cp*Ir as Bifunctional Ambident Reactants","Journal of the American Chemical Society","2008","130","","13200","13201","10.1021/ja804713u","","","0.71073","MoKα","","0.0243","0.021","","","0.0477","0.0492","","","","","","1.048","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108435","10.529","0.001","22.192","0.002","12.113","0.002","90","","92.739","0.01","90","","2827.1","0.6","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 Br N4 O7 -","- C29 H29 Br N4 O7 -","- C116 H116 Br4 N16 O28 -","4","1","","Kolupula Srinivas; Brice Kauffmann; Christel Dolain; Jean-Michel Léger; Léon Ghosez; Ivan Huc","Remote Substituent Effects and Regioselective Enhancement of Electrophilic Substitutions in Helical Aromatic Oligoamides","Journal of the American Chemical Society","2008","130","","13210","13211","10.1021/ja805178j","","","1.54178","CuKα","","0.0645","0.0467","","","0.1067","0.1134","","","","","","0.899","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108436","13.226","0.004","15.25","0.004","21.736","0.007","89.91","0.02","80.84","0.02","78.995","0.016","4247","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C85 H89 Br2 N12 O18 -","- C85.944 H87.71 Br2 N12 O18 -","- C171.888 H175.42 Br4 N24 O36 -","2","1","","Kolupula Srinivas; Brice Kauffmann; Christel Dolain; Jean-Michel Léger; Léon Ghosez; Ivan Huc","Remote Substituent Effects and Regioselective Enhancement of Electrophilic Substitutions in Helical Aromatic Oligoamides","Journal of the American Chemical Society","2008","130","","13210","13211","10.1021/ja805178j","","","1.54178","CuKα","","0.1507","0.0801","","","0.2412","0.2773","","","","","","1.075","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108437","37.784","0.002","15.211","0.001","19.567","0.001","90","","90.719","0.003","90","","11244.9","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H56 Br1.13 N8 O11.13 -","- C63 H56 Br1.073 N8 O11.063 -","- C504 H448 Br8.584 N64 O88.504 -","8","1","","Kolupula Srinivas; Brice Kauffmann; Christel Dolain; Jean-Michel Léger; Léon Ghosez; Ivan Huc","Remote Substituent Effects and Regioselective Enhancement of Electrophilic Substitutions in Helical Aromatic Oligoamides","Journal of the American Chemical Society","2008","130","","13210","13211","10.1021/ja805178j","","","1.54178","CuKα","","0.1127","0.0835","","","0.3091","0.3166","","","","","","1.13","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108438","10.418","0.003","16.302","0.004","18.637","0.005","90.438","0.017","99.948","0.018","102.15","0.018","3044.6","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H60 Br2 Cl2 N8 O12 -","- C58 H60 Br2 Cl2 N8 O12 -","- C116 H120 Br4 Cl4 N16 O24 -","2","1","","Kolupula Srinivas; Brice Kauffmann; Christel Dolain; Jean-Michel Léger; Léon Ghosez; Ivan Huc","Remote Substituent Effects and Regioselective Enhancement of Electrophilic Substitutions in Helical Aromatic Oligoamides","Journal of the American Chemical Society","2008","130","","13210","13211","10.1021/ja805178j","","","1.5418","CuKα","","0.1999","0.1238","","","0.3237","0.3626","","","","","","1.084","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108439","15.592","0.003","29.122","0.006","26.198","0.005","90","","102.87","0.03","90","","11597","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C118 H114.5 Br1.25 Cl7 N16 O19 -","- C118 H121 Br1.199 Cl6.977 N16 O19 -","- C472 H484 Br4.796 Cl27.908 N64 O76 -","4","1","","Kolupula Srinivas; Brice Kauffmann; Christel Dolain; Jean-Michel Léger; Léon Ghosez; Ivan Huc","Remote Substituent Effects and Regioselective Enhancement of Electrophilic Substitutions in Helical Aromatic Oligoamides","Journal of the American Chemical Society","2008","130","","13210","13211","10.1021/ja805178j","","","1.54178","CuKα","","0.1231","0.1024","","","0.2731","0.2948","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108440","18.488","0.002","15.1736","0.0018","43.257","0.006","90","","92.765","0.006","90","","12121","3","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C119.25 H113 Br2 Cl6 N16 O20.5 -","- C117.89 H113 Br1.9 Cl6 N16 O20.83 -","- C471.56 H452 Br7.6 Cl24 N64 O83.32 -","4","1","","Kolupula Srinivas; Brice Kauffmann; Christel Dolain; Jean-Michel Léger; Léon Ghosez; Ivan Huc","Remote Substituent Effects and Regioselective Enhancement of Electrophilic Substitutions in Helical Aromatic Oligoamides","Journal of the American Chemical Society","2008","130","","13210","13211","10.1021/ja805178j","","","1.5418","CuKα","","0.1941","0.1612","","","0.4149","0.441","","","","","","1.641","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108441","8.498","","11.409","","17.093","","89.37","","78.23","","78.19","","1587.22","","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H31 Br Cl2 N4 O5 -","- C31 H31 Br Cl2 N4 O5 -","- C62 H62 Br2 Cl4 N8 O10 -","2","1","","Kolupula Srinivas; Brice Kauffmann; Christel Dolain; Jean-Michel Léger; Léon Ghosez; Ivan Huc","Remote Substituent Effects and Regioselective Enhancement of Electrophilic Substitutions in Helical Aromatic Oligoamides","Journal of the American Chemical Society","2008","130","","13210","13211","10.1021/ja805178j","","","1.54178","CuKα","","0.0641","0.0575","","","0.1952","0.2139","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108442","10.626","","15.631","","15.214","","90","","98.05","","90","","2502.07","","100","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Cl2 F10 N2 O2 Ti -","- C22 H14 Cl2 F10 N2 O2 Ti -","- C88 H56 Cl8 F40 N8 O8 Ti4 -","4","1","","Sze-Man Yu; Stefan Mecking","Extremely Narrow-Dispersed High Molecular Weight Polyethylene from Living Polymerization at Elevated Temperatures with o-F Substituted Ti Enolatoimines","Journal of the American Chemical Society","2008","130","","13204","13205","10.1021/ja805304p","","","0.71073","MoKα","","0.0623","0.0393","","","0.078","0.0839","","","","","","1.005","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108443","6.0539","0.0018","18.545","0.006","23.851","0.006","90","","90","","90","","2677.7","1.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Br N O3 -","- C28 H36 Br N O3 -","- C112 H144 Br4 N4 O12 -","4","1","","David A. Kummer; William J. Chain; Marvin R. Morales; Olga Quiroga; Andrew G. Myers","Stereocontrolled Alkylative Construction of Quaternary Carbon Centers","Journal of the American Chemical Society","2008","130","","13231","13233","10.1021/ja806021y","","","0.71073","MoKα","","0.0934","0.0536","","","0.1087","0.1239","","","","","","0.99","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108444","13.07","0.002","20.164","0.004","20.938","0.004","90","","106.521","0.007","90","","5290.3","1.7","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H26 F18 N6 -","- C66 H26 F18 N6 -","- C264 H104 F72 N24 -","4","1","","Jeyaraman Sankar; Shigeki Mori; Shohei Saito; Harapriya Rath; Masaaki Suzuki; Yasuhide Inokuma; Hiroshi Shinokubo; Kil Suk Kim; Zin Seok Yoon; Jae-Yoon Shin; Jong Min Lim; Yoichi Matsuzaki; Osamu Matsushita; Atsuya Muranaka; Nagao Kobayashi; Dongho Kim; Atsuhiro Osuka","Unambiguous Identification of Möbius Aromaticity for meso-Aryl-Substituted [28]Hexaphyrins(1.1.1.1.1.1)","Journal of the American Chemical Society","2008","130","","13568","13579","10.1021/ja801983d","","","0.71075","MoKα","","0.0887","0.0541","","","0.1266","0.1432","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108445","29.855","0.009","13.058","0.005","21.941","0.006","90","","110.284","0.008","90","","8023","5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H72 Cl12 N6 O5 -","- C86 H72 Cl12 N6 O5 -","- C344 H288 Cl48 N24 O20 -","4","0.5","","Jeyaraman Sankar; Shigeki Mori; Shohei Saito; Harapriya Rath; Masaaki Suzuki; Yasuhide Inokuma; Hiroshi Shinokubo; Kil Suk Kim; Zin Seok Yoon; Jae-Yoon Shin; Jong Min Lim; Yoichi Matsuzaki; Osamu Matsushita; Atsuya Muranaka; Nagao Kobayashi; Dongho Kim; Atsuhiro Osuka","Unambiguous Identification of Möbius Aromaticity for meso-Aryl-Substituted [28]Hexaphyrins(1.1.1.1.1.1)","Journal of the American Chemical Society","2008","130","","13568","13579","10.1021/ja801983d","","","0.71075","MoKα","","0.1228","0.0718","","","0.1672","0.1951","","","","","","1.046","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108446","13.7892","0.0019","12.9847","0.0017","18.106","0.003","90","","99.097","0.002","90","","3201.1","0.8","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H28 F30 N6 O2 S2 -","- C70 H28 F30 N6 O2 S2 -","- C140 H56 F60 N12 O4 S4 -","2","0.5","","Jeyaraman Sankar; Shigeki Mori; Shohei Saito; Harapriya Rath; Masaaki Suzuki; Yasuhide Inokuma; Hiroshi Shinokubo; Kil Suk Kim; Zin Seok Yoon; Jae-Yoon Shin; Jong Min Lim; Yoichi Matsuzaki; Osamu Matsushita; Atsuya Muranaka; Nagao Kobayashi; Dongho Kim; Atsuhiro Osuka","Unambiguous Identification of Möbius Aromaticity for meso-Aryl-Substituted [28]Hexaphyrins(1.1.1.1.1.1)","Journal of the American Chemical Society","2008","130","","13568","13579","10.1021/ja801983d","","","0.71073","MoKα","","0.0871","0.0501","","","0.1212","0.1356","","","","","","1.029","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108447","16.316","0.012","14.472","0.01","12.961","0.01","90","","106.751","0.012","90","","2931","4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H36 Cl6 F12 N6 -","- C68 H36 Cl6 F12 N6 -","- C136 H72 Cl12 F24 N12 -","2","0.5","","Jeyaraman Sankar; Shigeki Mori; Shohei Saito; Harapriya Rath; Masaaki Suzuki; Yasuhide Inokuma; Hiroshi Shinokubo; Kil Suk Kim; Zin Seok Yoon; Jae-Yoon Shin; Jong Min Lim; Yoichi Matsuzaki; Osamu Matsushita; Atsuya Muranaka; Nagao Kobayashi; Dongho Kim; Atsuhiro Osuka","Unambiguous Identification of Möbius Aromaticity for meso-Aryl-Substituted [28]Hexaphyrins(1.1.1.1.1.1)","Journal of the American Chemical Society","2008","130","","13568","13579","10.1021/ja801983d","","","0.71073","MoKα","","0.1532","0.0739","","","0.173","0.1985","","","","","","0.908","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108448","13.877","0.0014","14.6082","0.0014","16.7087","0.0017","102.042","0.002","113.657","0.002","105.822","0.002","2783.8","0.5","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C69.34 H43.38 Cl0.65 F12 N6 O1.35 -","- C69.345 H43.38 Cl0.655 F12 N6 O1.345 -","- C138.69 H86.76 Cl1.31 F24 N12 O2.69 -","2","1","","Jeyaraman Sankar; Shigeki Mori; Shohei Saito; Harapriya Rath; Masaaki Suzuki; Yasuhide Inokuma; Hiroshi Shinokubo; Kil Suk Kim; Zin Seok Yoon; Jae-Yoon Shin; Jong Min Lim; Yoichi Matsuzaki; Osamu Matsushita; Atsuya Muranaka; Nagao Kobayashi; Dongho Kim; Atsuhiro Osuka","Unambiguous Identification of Möbius Aromaticity for meso-Aryl-Substituted [28]Hexaphyrins(1.1.1.1.1.1)","Journal of the American Chemical Society","2008","130","","13568","13579","10.1021/ja801983d","","","0.71073","MoKα","","0.0969","0.0677","","","0.1723","0.1943","","","","","","1.036","","","","has coordinates,has disorder","178830","2020-10-21","18:00:00",""
"4108449","12.876","0.003","22.92","0.005","19.902","0.004","90","","96.996","0.004","90","","5830","2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C67 H29 Cl3 F18 N6 -","- C67 H29 Cl3 F18 N6 -","- C268 H116 Cl12 F72 N24 -","4","1","","Jeyaraman Sankar; Shigeki Mori; Shohei Saito; Harapriya Rath; Masaaki Suzuki; Yasuhide Inokuma; Hiroshi Shinokubo; Kil Suk Kim; Zin Seok Yoon; Jae-Yoon Shin; Jong Min Lim; Yoichi Matsuzaki; Osamu Matsushita; Atsuya Muranaka; Nagao Kobayashi; Dongho Kim; Atsuhiro Osuka","Unambiguous Identification of Möbius Aromaticity for meso-Aryl-Substituted [28]Hexaphyrins(1.1.1.1.1.1)","Journal of the American Chemical Society","2008","130","","13568","13579","10.1021/ja801983d","","","0.71073","MoKα","","0.1958","0.079","","","0.1887","0.235","","","","","","1.001","","","","has coordinates,has disorder","178830","2020-10-21","18:00:00",""
"4108450","16.445","0.003","15.46","0.003","14.672","0.003","90","","98.883","0.003","90","","3685.5","1.2","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H42 Cl20 N6 -","- C70 H42 Cl20 N6 -","- C140 H84 Cl40 N12 -","2","0.5","","Jeyaraman Sankar; Shigeki Mori; Shohei Saito; Harapriya Rath; Masaaki Suzuki; Yasuhide Inokuma; Hiroshi Shinokubo; Kil Suk Kim; Zin Seok Yoon; Jae-Yoon Shin; Jong Min Lim; Yoichi Matsuzaki; Osamu Matsushita; Atsuya Muranaka; Nagao Kobayashi; Dongho Kim; Atsuhiro Osuka","Unambiguous Identification of Möbius Aromaticity for meso-Aryl-Substituted [28]Hexaphyrins(1.1.1.1.1.1)","Journal of the American Chemical Society","2008","130","","13568","13579","10.1021/ja801983d","","","0.71073","MoKα","","0.1221","0.0818","","","0.2257","0.2503","","","","","","1.053","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108451","13.431","0.006","14.864","0.007","18.625","0.009","93.198","0.008","99.842","0.009","99.058","0.008","3605","3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H45 Cl6 F15 N6 O2.5 -","- C76 H45 Cl6 F15 N6 O2.5 -","- C152 H90 Cl12 F30 N12 O5 -","2","1","","Jeyaraman Sankar; Shigeki Mori; Shohei Saito; Harapriya Rath; Masaaki Suzuki; Yasuhide Inokuma; Hiroshi Shinokubo; Kil Suk Kim; Zin Seok Yoon; Jae-Yoon Shin; Jong Min Lim; Yoichi Matsuzaki; Osamu Matsushita; Atsuya Muranaka; Nagao Kobayashi; Dongho Kim; Atsuhiro Osuka","Unambiguous Identification of Möbius Aromaticity for meso-Aryl-Substituted [28]Hexaphyrins(1.1.1.1.1.1)","Journal of the American Chemical Society","2008","130","","13568","13579","10.1021/ja801983d","","","0.71073","MoKα","","0.1787","0.0932","","","0.264","0.306","","","","","","0.986","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108452","21.1012","0.0007","21.1012","0.0007","6.6095","0.0004","90","","90","","90","","2943","0.2","220","","220","","","","","","","","","4","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- C12 H6 Al O8 -","- C12 H6 Al O8 -","- C96 H48 Al8 O64 -","8","0.5","","Angiolina Comotti; Silvia Bracco; Piero Sozzani; Satoshi Horike; Ryotaro Matsuda; Jinxi Chen; Masaki Takata; Yoshiki Kubota; Susumu Kitagawa","Nanochannels of Two Distinct Cross-Sections in a Porous Al-Based Coordination Polymer","Journal of the American Chemical Society","2008","130","","13664","13672","10.1021/ja802589u","powder diffraction","","0.8007","synchrotron","","","","","","","","","","2.23","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108453","24.824","0.003","9.6318","0.0009","26.586","0.002","90","","104.671","0.003","90","","6149.5","1.1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","(1S,2S,3R,4S)-3-methoxy-2-methyl-1,4-diphenylcyclobutanol","(1S,2S,3R,4S)-3-methoxy-2-methyl-1,4-diphenylcyclobutanol","","- C18 H20 O2 -","- C18 H20 O2 -","- C288 H320 O32 -","16","2","","Jarugu Narasimha Moorthy; Subhas Samanta; Apurba L. Koner; Satyajit Saha; Werner M. Nau","Intramolecular O-H...O Hydrogen-Bond-Mediated Reversal in the Partitioning of Conformationally Restricted Triplet 1,4-Biradicals and Amplification of Diastereodifferentiation in Their Lifetimes","Journal of the American Chemical Society","2008","130","","13608","13617","10.1021/ja8032179","","","0.71073","MoKα","","0.0975","0.0666","","","0.1732","0.203","","","","","","1.02","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108454","9.3238","0.0006","9.8521","0.0006","17.4034","0.0012","90","","90","","90","","1598.66","0.18","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(2R,3R)-3-methyl-4-oxo-1,4-diphenylbutan-2-yl acetate","(2R,3R)-3-methyl-4-oxo-1,4-diphenylbutan-2-yl acetate","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Jarugu Narasimha Moorthy; Subhas Samanta; Apurba L. Koner; Satyajit Saha; Werner M. Nau","Intramolecular O-H...O Hydrogen-Bond-Mediated Reversal in the Partitioning of Conformationally Restricted Triplet 1,4-Biradicals and Amplification of Diastereodifferentiation in Their Lifetimes","Journal of the American Chemical Society","2008","130","","13608","13617","10.1021/ja8032179","","","0.71073","MoKα","","0.0717","0.0527","","","0.1202","0.1437","","","","","","1.097","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108455","10.4473","0.0007","13.6445","0.0009","11.1454","0.0008","90","","91.342","0.001","90","","1588.32","0.19","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(1R,2S,3S,4S)-3-hydroxy-2-methyl-3,4-diphenylcyclobutyl acetate","(1R,2S,3S,4S)-3-hydroxy-2-methyl-3,4-diphenylcyclobutyl acetate","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Jarugu Narasimha Moorthy; Subhas Samanta; Apurba L. Koner; Satyajit Saha; Werner M. Nau","Intramolecular O-H...O Hydrogen-Bond-Mediated Reversal in the Partitioning of Conformationally Restricted Triplet 1,4-Biradicals and Amplification of Diastereodifferentiation in Their Lifetimes","Journal of the American Chemical Society","2008","130","","13608","13617","10.1021/ja8032179","","","0.71073","MoKα","","0.096","0.0634","","","0.1492","0.1903","","","","","","1.091","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108456","10.3587","0.0013","5.9712","0.0007","13.2278","0.0016","90","","103.415","0.002","90","","795.87","0.17","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","(1R,2S,3S,4R)-3-hydroxy-2-methyl-3,4-diphenylcyclobutyl acetate","(1R,2S,3S,4R)-3-hydroxy-2-methyl-3,4-diphenylcyclobutyl acetate","","- C19 H20 O3 -","- C19 H20 O3 -","- C38 H40 O6 -","2","1","","Jarugu Narasimha Moorthy; Subhas Samanta; Apurba L. Koner; Satyajit Saha; Werner M. Nau","Intramolecular O-H...O Hydrogen-Bond-Mediated Reversal in the Partitioning of Conformationally Restricted Triplet 1,4-Biradicals and Amplification of Diastereodifferentiation in Their Lifetimes","Journal of the American Chemical Society","2008","130","","13608","13617","10.1021/ja8032179","","","0.71073","MoKα","","0.0442","0.0384","","","0.0905","0.095","","","","","","1.054","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108457","10.1291","0.001","13.2035","0.0012","15.8027","0.0015","90","","97.059","0.002","90","","2097.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(1S,2S,3S,4R)-3-hydroxy-2-methyl-3,4-diphenylcyclobutyl 3,5-dinitrobenzoate","(1S,2S,3S,4R)-3-hydroxy-2-methyl-3,4-diphenylcyclobutyl 3,5-dinitrobenzoate","","- C24 H20 N2 O7 -","- C24 H20 N2 O7 -","- C96 H80 N8 O28 -","4","1","","Jarugu Narasimha Moorthy; Subhas Samanta; Apurba L. Koner; Satyajit Saha; Werner M. Nau","Intramolecular O-H...O Hydrogen-Bond-Mediated Reversal in the Partitioning of Conformationally Restricted Triplet 1,4-Biradicals and Amplification of Diastereodifferentiation in Their Lifetimes","Journal of the American Chemical Society","2008","130","","13608","13617","10.1021/ja8032179","","","0.71073","MoKα","","0.0641","0.0504","","","0.1242","0.137","","","","","","1.036","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108458","14.9428","0.0013","8.5306","0.0007","24.732","0.002","90","","90","","90","","3152.6","0.5","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","(1S,2S,3S,4S)-3-hydroxy-2-methyl-3,4-diphenylcyclobutyl acetate","(1S,2S,3S,4S)-3-hydroxy-2-methyl-3,4-diphenylcyclobutyl acetate","","- C19 H20 O3 -","- C19 H20 O3 -","- C152 H160 O24 -","8","2","","Jarugu Narasimha Moorthy; Subhas Samanta; Apurba L. Koner; Satyajit Saha; Werner M. Nau","Intramolecular O-H...O Hydrogen-Bond-Mediated Reversal in the Partitioning of Conformationally Restricted Triplet 1,4-Biradicals and Amplification of Diastereodifferentiation in Their Lifetimes","Journal of the American Chemical Society","2008","130","","13608","13617","10.1021/ja8032179","","","0.71073","MoKα","","0.0922","0.0812","","","0.1929","0.2078","","","","","","1.034","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108459","13.3411","0.0004","16.6406","0.0005","9.3406","0.0003","90","","102.552","0.002","90","","2024.09","0.11","193","2","193","2","","","","","","","chemical synthesis","3","C 1 2/c 1","-C 2yc","15","","2-(2,4,6-trichlorophenyl)-3-[(2,4,6-trichlorophenyl)methyl]indene","","- C22 H12 Cl6 -","- C22 H12 Cl6 -","- C88 H48 Cl24 -","4","0.5","","Chandrasekhar Vavilala; Neal Byrne; Christina M. Kraml; Douglas M. Ho; Robert A. Pascal","Thermal C1-C5 Diradical Cyclization of Enediynes","Journal of the American Chemical Society","2008","130","","13549","13551","10.1021/ja803413f","","","0.71073","MoKα","","0.0555","0.0456","","0.1094","","0.1027","","","1.068","","","1.125","","","","has coordinates,has disorder","178830","2020-10-21","18:00:00",""
"4108460","9.0104","0.0003","13.5724","0.0004","17.8294","0.0006","90","","90.698","0.0005","90","","2180.24","0.12","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 B N2 O2 -","- C30 H24 B N2 O2 -","- C120 H96 B4 N8 O8 -","4","1","","Robert C. Haddon; Arindam Sarkar; Sushanta K. Pal; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham","Localization of Spin and Charge in Phenalenyl-Based Neutral Radical Conductors","Journal of the American Chemical Society","2008","130","","13683","13690","10.1021/ja8037307","","","0.71073","MoKα","","0.0539","0.0467","","","0.1301","0.1373","","","","","","1.054","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108461","9.0133","0.0003","13.5748","0.0004","17.8444","0.0005","90","","90.6996","0.0005","90","","2183.17","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 B N2 O2 -","- C30 H24 B N2 O2 -","- C120 H96 B4 N8 O8 -","4","1","","Robert C. Haddon; Arindam Sarkar; Sushanta K. Pal; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham","Localization of Spin and Charge in Phenalenyl-Based Neutral Radical Conductors","Journal of the American Chemical Society","2008","130","","13683","13690","10.1021/ja8037307","","","0.71073","MoKα","","0.0544","0.0469","","","0.129","0.1364","","","","","","1.038","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108462","9.017","0.0003","13.5775","0.0004","17.8629","0.0006","90","","90.7025","0.0005","90","","2186.76","0.12","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 B N2 O2 -","- C30 H24 B N2 O2 -","- C120 H96 B4 N8 O8 -","4","1","","Robert C. Haddon; Arindam Sarkar; Sushanta K. Pal; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham","Localization of Spin and Charge in Phenalenyl-Based Neutral Radical Conductors","Journal of the American Chemical Society","2008","130","","13683","13690","10.1021/ja8037307","","","0.71073","MoKα","","0.0554","0.0482","","","0.132","0.1391","","","","","","1.032","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108463","9.0186","0.0003","13.5771","0.0004","17.8801","0.0006","90","","90.7212","0.0005","90","","2189.18","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 B N2 O2 -","- C30 H24 B N2 O2 -","- C120 H96 B4 N8 O8 -","4","1","","Robert C. Haddon; Arindam Sarkar; Sushanta K. Pal; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham","Localization of Spin and Charge in Phenalenyl-Based Neutral Radical Conductors","Journal of the American Chemical Society","2008","130","","13683","13690","10.1021/ja8037307","","","0.71073","MoKα","","0.056","0.0485","","","0.1317","0.1394","","","","","","1.023","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108464","9.0218","0.0003","13.5771","0.0004","17.9099","0.0006","90","","90.7694","0.0005","90","","2193.58","0.12","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 B N2 O2 -","- C30 H24 B N2 O2 -","- C120 H96 B4 N8 O8 -","4","1","","Robert C. Haddon; Arindam Sarkar; Sushanta K. Pal; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham","Localization of Spin and Charge in Phenalenyl-Based Neutral Radical Conductors","Journal of the American Chemical Society","2008","130","","13683","13690","10.1021/ja8037307","","","0.71073","MoKα","","0.0559","0.0484","","","0.1319","0.1394","","","","","","1.034","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108465","9.0221","0.0003","13.5591","0.0004","17.9972","0.0006","90","","91.1112","0.0005","90","","2201.21","0.12","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 B N2 O2 -","- C30 H24 B N2 O2 -","- C120 H96 B4 N8 O8 -","4","1","","Robert C. Haddon; Arindam Sarkar; Sushanta K. Pal; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham","Localization of Spin and Charge in Phenalenyl-Based Neutral Radical Conductors","Journal of the American Chemical Society","2008","130","","13683","13690","10.1021/ja8037307","","","0.71073","MoKα","","0.0612","0.0518","","","0.1395","0.1488","","","","","","1.035","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108466","9.0262","0.0003","13.558","0.0005","18.0187","0.0006","90","","91.1133","0.0006","90","","2204.66","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 B N2 O2 -","- C30 H24 B N2 O2 -","- C120 H96 B4 N8 O8 -","4","1","","Robert C. Haddon; Arindam Sarkar; Sushanta K. Pal; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham","Localization of Spin and Charge in Phenalenyl-Based Neutral Radical Conductors","Journal of the American Chemical Society","2008","130","","13683","13690","10.1021/ja8037307","","","0.71073","MoKα","","0.0612","0.0518","","","0.1397","0.1491","","","","","","1.038","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108467","9.0293","0.0003","13.5581","0.0004","18.0357","0.0006","90","","91.1401","0.0005","90","","2207.5","0.12","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 B N2 O2 -","- C30 H24 B N2 O2 -","- C120 H96 B4 N8 O8 -","4","1","","Robert C. Haddon; Arindam Sarkar; Sushanta K. Pal; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham","Localization of Spin and Charge in Phenalenyl-Based Neutral Radical Conductors","Journal of the American Chemical Society","2008","130","","13683","13690","10.1021/ja8037307","","","0.71073","MoKα","","0.0622","0.0524","","","0.1427","0.1521","","","","","","1.051","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108468","9.0332","0.0003","13.5582","0.0004","18.0514","0.0006","90","","91.1033","0.0005","90","","2210.42","0.12","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 B N2 O2 -","- C30 H24 B N2 O2 -","- C120 H96 B4 N8 O8 -","4","1","","Robert C. Haddon; Arindam Sarkar; Sushanta K. Pal; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham","Localization of Spin and Charge in Phenalenyl-Based Neutral Radical Conductors","Journal of the American Chemical Society","2008","130","","13683","13690","10.1021/ja8037307","","","0.71073","MoKα","","0.0621","0.052","","","0.1413","0.1512","","","","","","1.045","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108469","9.0964","0.0003","13.5839","0.0004","18.2278","0.0005","90","","90.6903","0.0004","90","","2252.15","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 B N2 O2 -","- C30 H24 B N2 O2 -","- C120 H96 B4 N8 O8 -","4","1","","Robert C. Haddon; Arindam Sarkar; Sushanta K. Pal; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham","Localization of Spin and Charge in Phenalenyl-Based Neutral Radical Conductors","Journal of the American Chemical Society","2008","130","","13683","13690","10.1021/ja8037307","","","0.71073","MoKα","","0.0695","0.0487","","","0.131","0.1462","","","","","","1.044","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108470","9.0184","0.0003","13.5743","0.0004","17.9303","0.0005","90","","90.8539","0.0004","90","","2194.76","0.12","135","2","135","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 B N2 O2 -","- C30 H24 B N2 O2 -","- C120 H96 B4 N8 O8 -","4","1","","Robert C. Haddon; Arindam Sarkar; Sushanta K. Pal; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham","Localization of Spin and Charge in Phenalenyl-Based Neutral Radical Conductors","Journal of the American Chemical Society","2008","130","","13683","13690","10.1021/ja8037307","","","0.71073","MoKα","","0.0537","0.0487","","","0.1343","0.1398","","","","","","1.026","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108471","14.029","0.003","19.121","0.002","17.573","0.002","90","","107.046","0.01","90","","4506.8","1.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 N2 Ni2 O3 P2 S2 -","- C44 H42 N2 Ni2 O2 P2 S2 -","- C176 H168 N8 Ni8 O8 P8 S8 -","4","1","","William G. Dougherty; Krishnan Rangan; Molly J. O'Hagan; Glenn P. A. Yap; Charles G. Riordan","Binuclear Complexes Containing a Methylnickel Moiety: Relevance to Organonickel Intermediates in Acetyl Coenzyme A Synthase Catalysis","Journal of the American Chemical Society","2008","130","","13510","13511","10.1021/ja803795k","","","0.71073","MoKα","","0.0458","0.0368","","","0.0918","0.0958","","","","","","1.012","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108472","8.937","0.006","10.736","0.008","26.003","0.017","90","","90","","90","","2495","3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 N3 Ni O2 S2 -","- C25 H34 N3 Ni O2 S2 -","- C100 H136 N12 Ni4 O8 S8 -","4","1","","William G. Dougherty; Krishnan Rangan; Molly J. O'Hagan; Glenn P. A. Yap; Charles G. Riordan","Binuclear Complexes Containing a Methylnickel Moiety: Relevance to Organonickel Intermediates in Acetyl Coenzyme A Synthase Catalysis","Journal of the American Chemical Society","2008","130","","13510","13511","10.1021/ja803795k","","","0.71073","MoKα","","0.0643","0.0528","","","0.1262","0.1353","","","","","","1.064","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108473","11.696","0.004","28.15","0.009","13.377","0.004","90","","94.506","0.005","90","","4391","2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H57 N3 Ni2 O3 P2 S2 -","- C45 H57 N3 Ni2 O3 P2 S2 -","- C180 H228 N12 Ni8 O12 P8 S8 -","4","1","","William G. Dougherty; Krishnan Rangan; Molly J. O'Hagan; Glenn P. A. Yap; Charles G. Riordan","Binuclear Complexes Containing a Methylnickel Moiety: Relevance to Organonickel Intermediates in Acetyl Coenzyme A Synthase Catalysis","Journal of the American Chemical Society","2008","130","","13510","13511","10.1021/ja803795k","","","0.71073","MoKα","","0.0492","0.0405","","","0.094","0.0993","","","","","","1.088","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108474","18.1917","0.0012","8.8565","0.0006","24.6411","0.0017","90","","107.826","0.003","90","","3779.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C176 H232 N8 O16 -","8","2","","Shyam Krishnan; Jeffrey T. Bagdanoff; David C. Ebner; Yeeman K. Ramtohul; Uttam K. Tambar; Brian M. Stoltz","Pd-Catalyzed Enantioselective Aerobic Oxidation of Secondary Alcohols: Applications to the Total Synthesis of Alkaloids","Journal of the American Chemical Society","2008","130","","13745","13754","10.1021/ja804738b","","","0.71073","MoKα","","0.171","0.0814","","","0.1171","0.1283","","","","","","1.429","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108475","9.2969","0.0009","12.2219","0.0011","15.8158","0.0016","90","","90","","90","","1797.1","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C84 H100 N4 O16 -","4","1","","Douglas C. Beshore; Amos B. Smith","The Lyconadins: Enantioselective Total Syntheses of (+)-Lyconadin A and (-)-Lyconadin B","Journal of the American Chemical Society","2008","130","","13778","13789","10.1021/ja804939r","","","0.71069","MoKα","","0.0409","0.0386","","","0.0895","0.0912","","","","","","1.078","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108476","9.505","0.0006","6.3017","0.0004","22.2972","0.0017","90","","96.294","0.002","90","","1327.5","0.16","143","1","143","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","1","","Douglas C. Beshore; Amos B. Smith","The Lyconadins: Enantioselective Total Syntheses of (+)-Lyconadin A and (-)-Lyconadin B","Journal of the American Chemical Society","2008","130","","13778","13789","10.1021/ja804939r","","","0.71069","MoKα","","0.0461","0.0341","","","0.0815","0.0872","","","","","","0.966","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108477","11.5465","0.0008","16.9259","0.0007","27.4768","0.0015","90","","91.208","0.002","90","","5368.7","0.5","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H20 I N O -","- C13 H20 I N O -","- C208 H320 I16 N16 O16 -","16","8","","Douglas C. Beshore; Amos B. Smith","The Lyconadins: Enantioselective Total Syntheses of (+)-Lyconadin A and (-)-Lyconadin B","Journal of the American Chemical Society","2008","130","","13778","13789","10.1021/ja804939r","","","0.71069","MoKα","","0.056","0.0504","","","0.1286","0.1369","","","","","","1.039","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108478","11.4784","0.0007","11.8832","0.0007","18.3144","0.0011","100.107","0.001","102.739","0.001","107.582","0.001","2242.7","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H58 Br O2 P Pd -","- C41 H58 Br O2 P Pd -","- C82 H116 Br2 O4 P2 Pd2 -","2","1","","Brett P. Fors; Donald A. Watson; Mark R. Biscoe; Stephen L. Buchwald","A Highly Active Catalyst for Pd-Catalyzed Amination Reactions: Cross-Coupling Reactions Using Aryl Mesylates and the Highly Selective Monoarylation of Primary Amines Using Aryl Chlorides","Journal of the American Chemical Society","2008","130","","13552","13554","10.1021/ja8055358","","","0.71073","MoKα","","0.0735","0.0543","","","0.1795","0.1952","","","","","","1.097","","","","has coordinates,has disorder","178830","2020-10-21","18:00:00",""
"4108479","10.2858","0.0007","10.2858","0.0007","19.3715","0.0014","90","","90","","120","","1774.9","0.2","90","2","90","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C9 H15 F6 O Sb -","- C9 H15 F6 O Sb -","- C54 H90 F36 O6 Sb6 -","6","0.333333","","Mark Mascal; Nema Hafezi; Nabin K. Meher; James C. Fettinger","Oxatriquinane and Oxatriquinacene: Extraordinary Oxonium Ions","Journal of the American Chemical Society","2008","130","","13532","13533","10.1021/ja805686u","","","0.71073","MoKα","","0.0229","0.0209","","","0.054","0.0552","","","","","","1.115","","","","has coordinates,has disorder","178830","2020-10-21","18:00:00",""
"4108480","10.1372","0.0007","15.7721","0.0012","10.5998","0.0006","90","","102.445","0.0015","90","","1654.93","0.19","296","1","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","","Sun-Liang Cui; Jing Wang; Yan-Guang Wang","Synthesis of Indoles via Domino Reaction of N-Aryl Amides and Ethyl Diazoacetate","Journal of the American Chemical Society","2008","130","","13526","13527","10.1021/ja805706r","","","0.71075","MoKα","","","0.0601","","","","0.1395","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108481","11.1392","0.0012","12.4523","0.0014","15.7097","0.0016","93.256","0.013","110.476","0.012","96.599","0.013","2016.8","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H31 Cl I4 N6 Pd2 -","- C32.5 H31 Cl I4 N6 Pd2 -","- C65 H62 Cl2 I8 N12 Pd4 -","2","1","","Paulson Mathew; Antonia Neels; Martin Albrecht","1,2,3-Triazolylidenes as Versatile Abnormal Carbene Ligands for Late Transition Metals","Journal of the American Chemical Society","2008","130","","13534","13535","10.1021/ja805781s","","","0.71073","MoKα","","0.1152","0.0778","","","0.1989","0.2153","","","","","","0.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108482","9.7329","0.0008","17.7673","0.0019","11.0845","0.001","90","","103.598","0.01","90","","1863.1","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 Cl N3 Rh -","- C19 H25 Cl N3 Rh -","- C76 H100 Cl4 N12 Rh4 -","4","1","","Paulson Mathew; Antonia Neels; Martin Albrecht","1,2,3-Triazolylidenes as Versatile Abnormal Carbene Ligands for Late Transition Metals","Journal of the American Chemical Society","2008","130","","13534","13535","10.1021/ja805781s","","","0.71073","MoKα","","0.0691","0.0507","","","0.1259","0.1329","","","","","","1.079","","","","has coordinates,has disorder","178830","2020-10-21","18:00:00",""
"4108483","8.1315","0.0006","9.9636","0.0008","10.5002","0.0008","94.53","0.006","107.141","0.006","109.506","0.006","751.27","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Cl Ir N3 O2 -","- C13 H13 Cl Ir N3 O2 -","- C26 H26 Cl2 Ir2 N6 O4 -","2","1","","Paulson Mathew; Antonia Neels; Martin Albrecht","1,2,3-Triazolylidenes as Versatile Abnormal Carbene Ligands for Late Transition Metals","Journal of the American Chemical Society","2008","130","","13534","13535","10.1021/ja805781s","","","0.71073","MoKα","","0.0447","0.0436","","","0.1101","0.111","","","","","","1.102","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108484","8.1801","0.0001","13.292","0.0002","8.1852","0.0001","90","","102.405","0.002","90","","869.2","0.02","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H17 N6 O3 Re -","- C15 H17 N6 O3 Re -","- C30 H34 N12 O6 Re2 -","2","0.5","","Miguel A. Huertos; Julio Pérez; Lucía Riera; Amador Menéndez-Velázquez","From N-Alkylimidazole Ligands at a Rhenium Center: Ring Opening or Formation of NHC Complexes","Journal of the American Chemical Society","2008","130","","13530","13531","10.1021/ja805888f","","","1.54184","CuKα","","0.0234","0.0208","","","0.0555","0.0645","","","","","","1.274","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108485","7.2555","0.0002","12.3527","0.00029","12.7001","0.0004","90.4425","0.0019","96.5903","0.0014","91.4894","0.0017","1130.28","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H18 F3 N6 O6 Re S -","- C16 H18 F3 N6 O6 Re S -","- C32 H36 F6 N12 O12 Re2 S2 -","2","1","","Miguel A. Huertos; Julio Pérez; Lucía Riera; Amador Menéndez-Velázquez","From N-Alkylimidazole Ligands at a Rhenium Center: Ring Opening or Formation of NHC Complexes","Journal of the American Chemical Society","2008","130","","13530","13531","10.1021/ja805888f","","","0.71073","MoKα","","0.0293","0.0268","","","0.0772","0.0859","","","","","","1.227","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108486","12.0694","0.0003","12.4173","0.0004","19.2661","0.0006","78.624","0.002","74.171","0.002","85.731","0.002","2722.68","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 F3 N6 O6 Re S -","- C40 H42 F3 N6 O6 Re0.99 S -","- C80 H84 F6 N12 O12 Re1.98 S2 -","2","1","","Miguel A. Huertos; Julio Pérez; Lucía Riera; Amador Menéndez-Velázquez","From N-Alkylimidazole Ligands at a Rhenium Center: Ring Opening or Formation of NHC Complexes","Journal of the American Chemical Society","2008","130","","13530","13531","10.1021/ja805888f","","","1.54184","CuKα","","0.0869","0.0757","","","0.2266","0.2472","","","","","","1.094","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108487","11.9986","0.0002","14.6415","0.0002","21.3109","0.00029","72.274","0.0009","89.6955","0.0009","66.9111","0.0009","3252.52","0.09","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H42 B Cl4 F24 N6 O3 Re -","- C57 H42 B Cl4 F24 N6 O3 Re -","- C114 H84 B2 Cl8 F48 N12 O6 Re2 -","2","1","","Miguel A. Huertos; Julio Pérez; Lucía Riera; Amador Menéndez-Velázquez","From N-Alkylimidazole Ligands at a Rhenium Center: Ring Opening or Formation of NHC Complexes","Journal of the American Chemical Society","2008","130","","13530","13531","10.1021/ja805888f","","","0.71073","MoKα","","0.0367","0.0311","","","0.0886","0.1133","","","","","","1.144","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4108488","13.4701","0.0002","11.7958","0.0002","17.5998","0.0005","90","","120.652","0.001","90","","2405.72","0.09","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N6 O3 Re -","- C23 H25 N6 O3 Re -","- C92 H100 N24 O12 Re4 -","4","1","","Miguel A. Huertos; Julio Pérez; Lucía Riera; Amador Menéndez-Velázquez","From N-Alkylimidazole Ligands at a Rhenium Center: Ring Opening or Formation of NHC Complexes","Journal of the American Chemical Society","2008","130","","13530","13531","10.1021/ja805888f","","","0.71073","MoKα","","0.0334","0.0233","","","0.0636","0.0975","","","","","","1.143","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108489","9.0502","0.001","14.6787","0.0017","21.206","0.002","90","","92.885","0.009","90","","2813.5","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 N2 Ni S2 -","- C29 H41 N2 Ni S2 -","- C116 H164 N8 Ni4 S8 -","4","1","","Shenglai Yao; Carsten Milsmann; Eckhard Bill; Karl Wieghardt; Matthias Driess","From a Paramagnetic, Mononuclear Supersulfidonickel(II) Complex to a Diamagnetic Dimer with a Four-Sulfur Two-Electron Bond","Journal of the American Chemical Society","2008","130","","13536","13537","10.1021/ja806101h","","","0.71073","","","0.125","0.0492","","","0.0682","0.0827","","","","","","0.863","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108490","11.1549","0.0004","20.5247","0.0007","24.3787","0.0009","90","","90","","90","","5581.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 N4 Ni2 S2 -","- C58 H82 N4 Ni2 S2 -","- C232 H328 N16 Ni8 S8 -","4","1","","Shenglai Yao; Carsten Milsmann; Eckhard Bill; Karl Wieghardt; Matthias Driess","From a Paramagnetic, Mononuclear Supersulfidonickel(II) Complex to a Diamagnetic Dimer with a Four-Sulfur Two-Electron Bond","Journal of the American Chemical Society","2008","130","","13536","13537","10.1021/ja806101h","","","0.71073","MoKα","","0.0981","0.0613","","","0.0931","0.1017","","","","","","1.125","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108491","7.691","0.0017","14.82","0.003","7.7801","0.0018","90","","90","","90","","886.8","0.3","298","2","298","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd5 Ge4 -","- Gd5 Ge4 -","- Gd20 Ge16 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0439","0.0385","","","0.0831","0.0853","","","","","","1.161","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108492","7.676","0.002","14.787","0.004","7.763","0.002","90","","90","","90","","881.1","0.4","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd4 Ge4 Y -","- Gd4.021 Ge4 Y0.979 -","- Gd16.084 Ge16 Y3.916 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0642","0.0461","","","0.0864","0.0917","","","","","","1.104","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108493","7.663","0.003","14.772","0.006","7.748","0.003","90","","90","","90","","877.1","0.6","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd3 Ge4 Y2 -","- Gd2.963 Ge4 Y2.037 -","- Gd11.852 Ge16 Y8.148 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0688","0.0485","","","0.0881","0.0937","","","","","","1.154","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108494","7.653","0.004","14.758","0.008","7.741","0.004","90","","90","","90","","874.3","0.8","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd2 Ge4 Y3 -","- Gd1.91 Ge4 Y3.09 -","- Gd7.64 Ge16 Y12.36 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0759","0.0503","","","0.0799","0.0855","","","","","","1.105","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108495","7.6466","0.0012","14.741","0.002","7.7258","0.0012","90","","90","","90","","870.8","0.2","298","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd1.8 Ge4 Y3.2 -","- Gd1.747 Ge4 Y3.253 -","- Gd6.988 Ge16 Y13.012 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0744","0.0493","","","0.0895","0.0977","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108496","7.645","0.002","14.72","0.004","7.72","0.002","90","","90","","90","","868.8","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd1.6 Ge4 Y3.4 -","- Gd1.551 Ge4 Y3.449 -","- Gd6.204 Ge16 Y13.796 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0988","0.0628","","","0.1179","0.1306","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108497","7.638","0.002","14.723","0.004","7.714","0.002","90","","90","","90","","867.5","0.4","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd1.4 Ge4 Y3.6 -","- Gd1.262 Ge4 Y3.738 -","- Gd5.048 Ge16 Y14.952 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0767","0.0524","","","0.0914","0.0974","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108498","7.996","0.002","7.757","0.002","7.602","0.002","90","","112.879","0.005","90","","434.42","0.19","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd1.2 Ge4 Y3.8 -","- Gd1.105 Ge4 Y3.895 -","- Gd2.21 Ge8 Y7.79 -","2","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0615","0.0434","","","0.0826","0.0876","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108499","8.001","0.003","7.754","0.003","7.601","0.003","90","","112.945","0.006","90","","434.3","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd Ge4 Y4 -","- Gd0.988 Ge4 Y4.012 -","- Gd1.976 Ge8 Y8.024 -","2","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.058","0.0426","","","0.0769","0.0811","","","","","","1.058","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108500","7.9976","0.0012","7.7515","0.0012","7.6","0.0012","90","","112.952","0.002","90","","433.85","0.12","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd0.8 Ge4 Y4.2 -","- Gd0.772 Ge4 Y4.228 -","- Gd1.544 Ge8 Y8.456 -","2","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0426","0.0332","","","0.0574","0.0597","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108501","7.645","0.003","14.728","0.006","7.711","0.003","90","","90","","90","","868.2","0.6","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd0.6 Ge4 Y4.4 -","- Gd0.618 Ge4 Y4.382 -","- Gd2.472 Ge16 Y17.528 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.1105","0.0611","","","0.1109","0.1305","","","","","","0.979","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108502","7.6365","0.0015","14.713","0.003","7.7051","0.0014","90","","90","","90","","865.7","0.3","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd0.4 Ge4 Y4.6 -","- Gd0.291 Ge4 Y4.709 -","- Gd1.164 Ge16 Y18.836 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.073","0.0437","","","0.0758","0.0837","","","","","","0.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108503","7.6361","0.001","14.7135","0.0018","7.7077","0.001","90","","90","","90","","865.99","0.19","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd0.2 Ge4 Y4.8 -","- Gd0.171 Ge4 Y4.829 -","- Gd0.684 Ge16 Y19.316 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0565","0.0423","","","0.0838","0.0908","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108504","7.637","0.002","14.695","0.004","7.711","0.002","90","","90","","90","","865.4","0.4","298","2","298","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ge4 Y5 -","- Ge4 Y5 -","- Ge16 Y20 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0713","0.0482","","","0.0798","0.0854","","","","","","1.072","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108505","7.4823","0.0018","14.738","0.004","7.746","0.0018","90","","90","","90","","854.2","0.4","298","2","298","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd5 Si4 -","- Gd5 Si4 -","- Gd20 Si16 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0433","0.0326","","","0.0591","0.0616","","","","","","1.102","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108506","7.464","0.002","14.708","0.005","7.742","0.002","90","","90","","90","","849.9","0.4","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd4 Si4 Y -","- Gd3.912 Si4 Y1.088 -","- Gd15.648 Si16 Y4.352 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.052","0.0356","","","0.0702","0.0756","","","","","","1.088","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108507","7.435","0.002","14.69","0.004","7.739","0.002","90","","90","","90","","845.3","0.4","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd3 Si4 Y2 -","- Gd2.87 Si4 Y2.13 -","- Gd11.48 Si16 Y8.52 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0651","0.0484","","","0.0912","0.0962","","","","","","1.108","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108508","7.429","0.005","14.696","0.009","7.738","0.005","90","","90","","90","","844.8","0.9","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd2 Si4 Y3 -","- Gd1.967 Si4 Y3.033 -","- Gd7.868 Si16 Y12.132 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0439","0.0351","","","0.0655","0.0678","","","","","","1.094","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108509","7.415","0.004","14.607","0.007","7.713","0.004","90","","90","","90","","835.4","0.7","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd Si4 Y4 -","- Gd0.976 Si4 Y4.024 -","- Gd3.904 Si16 Y16.096 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0454","0.035","","","0.061","0.0636","","","","","","1.084","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108510","24.5377","0.0002","24.5377","0.0002","72.0873","0.0016","90","","90","","90","","43403.7","1.1","293","2","293","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C26 H12 Cu O6 -","- C26 H12 Cu O6 -","- C416 H192 Cu16 O96 -","16","1","","Liqing Ma; Wenbin Lin","Chirality-Controlled and Solvent-Templated Catenation Isomerism in Metal-Organic Frameworks","Journal of the American Chemical Society","2008","130","","13834","13835","10.1021/ja804944r","","","1.54178","CuKα","","0.0766","0.0598","","","0.132","0.1389","","","","","","0.998","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108511","24.5467","0.0012","24.5467","0.0012","72.387","0.006","90","","90","","90","","43616","5","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C52 H31 Cu2 O12 -","- C52 H30.75 Cu2 O12 -","- C832 H492 Cu32 O192 -","16","1","","Liqing Ma; Wenbin Lin","Chirality-Controlled and Solvent-Templated Catenation Isomerism in Metal-Organic Frameworks","Journal of the American Chemical Society","2008","130","","13834","13835","10.1021/ja804944r","","","0.71073","MoKα","","0.1447","0.0849","","","0.2125","0.2248","","","","","","0.997","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108512","24.5021","0.0005","24.5021","0.0005","71.8088","0.0019","90","","90","","90","","43110.6","1.7","243","2","243","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C26 H12 Cu O6 -","- C26 H12 Cu O6 -","- C416 H192 Cu16 O96 -","16","1","","Liqing Ma; Wenbin Lin","Chirality-Controlled and Solvent-Templated Catenation Isomerism in Metal-Organic Frameworks","Journal of the American Chemical Society","2008","130","","13834","13835","10.1021/ja804944r","","","1.54178","CuKα","","0.1193","0.0844","","","0.215","0.2318","","","","","","0.891","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108513","11.5849","0.001","12.337","0.0011","16.4652","0.0015","90","","90","","90","","2353.3","0.4","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 F3 O6 S -","- C22 H33 F3 O6 S -","- C88 H132 F12 O24 S4 -","4","1","","Serge Phoenix; Maddi Sridhar Reddy; Pierre Deslongchamps","Total Synthesis of (+)-Cassaine via Transannular Diels-Alder Reaction","Journal of the American Chemical Society","2008","130","","13989","13995","10.1021/ja805097s","","","0.71073","MoKα","","0.0375","0.0321","","","0.083","0.0868","","","","","","1.044","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108514","9.18","0.001","12.581","0.0014","16.5854","0.0018","90","","90","","90","","1915.5","0.4","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 F9 N2 O Sb -","- C16 H14 F9 N2 O Sb -","- C64 H56 F36 N8 O4 Sb4 -","4","1","","Ximin Li; Peng Liu; K. N. Houk; Vladimir B. Birman","Origin of Enantioselectivity in CF3-PIP-Catalyzed Kinetic Resolution of Secondary Benzylic Alcohols","Journal of the American Chemical Society","2008","130","","13836","13837","10.1021/ja805275s","","","0.71073","MoKα","","0.0506","0.0446","","","0.107","0.1112","","","","","","1.053","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108515","11.2158","0.0006","14.6014","0.0008","34.1994","0.0018","90","","90","","90","","5600.7","0.5","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C48 H58 Cu4 I4 N2 O8 S2 -","- C48 H58 Cu4 I4 N2 O8 S2 -","- C192 H232 Cu16 I16 N8 O32 S8 -","4","0.5","","Jai Young Lee; Hyun Jee Kim; Jong Hwa Jung; Wonbo Sim; Shim Sung Lee","Networking of Calixcrowns: From Heteronuclear Endo/Exocyclic Coordination Polymers to A Photoluminescence Switch","Journal of the American Chemical Society","2008","130","","13838","13839","10.1021/ja805337n","","","0.71073","MoKα","","0.0588","0.0375","","","0.0858","0.1005","","","","","","1.075","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108516","10.8292","0.0004","19.6626","0.0008","15.1761","0.0006","90","","103.504","0.001","90","","3142.1","0.2","173","2","173","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C48 H59 Cl4 Cu4 I6 K2 N O8 S2 -","- C48 H59 Cl4 Cu4 I6 K2 N O8 S2 -","- C96 H118 Cl8 Cu8 I12 K4 N2 O16 S4 -","2","1","","Jai Young Lee; Hyun Jee Kim; Jong Hwa Jung; Wonbo Sim; Shim Sung Lee","Networking of Calixcrowns: From Heteronuclear Endo/Exocyclic Coordination Polymers to A Photoluminescence Switch","Journal of the American Chemical Society","2008","130","","13838","13839","10.1021/ja805337n","","","0.71073","MoKα","","0.0837","0.0491","","","0.0973","0.1201","","","","","","1.05","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108517","12.7493","0.0013","13.6346","0.0014","21.526","0.002","90","","106.44","0.002","90","","3588.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H54 N3 Ni Si2 -","- C33 H54 N3 Ni Si2 -","- C132 H216 N12 Ni4 Si8 -","4","1","","Carl A. Laskowski; Gregory L. Hillhouse","Two-Coordinate d9 Complexes. Synthesis and Oxidation of NHC Nickel(I) Amides","Journal of the American Chemical Society","2008","130","","13846","13847","10.1021/ja805804s","","","0.71073","MoKα","","0.0593","0.0501","","","0.1361","0.1408","","","","","","1.042","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108518","41.431","0.005","11.9142","0.0015","32.218","0.004","90","","101.082","0.003","90","","15607","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C83 H120 N6 Ni2 -","- C83 H120 N6 Ni2 -","- C664 H960 N48 Ni16 -","8","1","","Carl A. Laskowski; Gregory L. Hillhouse","Two-Coordinate d9 Complexes. Synthesis and Oxidation of NHC Nickel(I) Amides","Journal of the American Chemical Society","2008","130","","13846","13847","10.1021/ja805804s","","","0.71073","MoKα","","0.0764","0.0454","","","0.083","0.089","","","","","","0.855","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108519","12.789","0.002","32.507","0.005","20.86","0.003","90","","96.741","0.003","90","","8612","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87 H74 B F24 N3 Ni O4 -","- C87 H74 B F24 N3 Ni O4 -","- C348 H296 B4 F96 N12 Ni4 O16 -","4","1","","Carl A. Laskowski; Gregory L. Hillhouse","Two-Coordinate d9 Complexes. Synthesis and Oxidation of NHC Nickel(I) Amides","Journal of the American Chemical Society","2008","130","","13846","13847","10.1021/ja805804s","","","0.71073","MoKα","","0.0992","0.083","","","0.2286","0.2431","","","","","","1.078","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108520","16.127","0.003","16.608","0.004","16.626","0.003","102.917","0.004","101.969","0.004","114.548","0.004","3714.8","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C146 H140 B2 Cl8 F48 N6 Ni2 O0 -","- C146 H140 B2 Cl8 F48 N6 Ni2 -","- C146 H140 B2 Cl8 F48 N6 Ni2 -","1","0.5","","Carl A. Laskowski; Gregory L. Hillhouse","Two-Coordinate d9 Complexes. Synthesis and Oxidation of NHC Nickel(I) Amides","Journal of the American Chemical Society","2008","130","","13846","13847","10.1021/ja805804s","","","0.71073","MoKα","","0.1504","0.1048","","","0.2813","0.3071","","","","","","1.027","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108521","12.609","0.004","15.987","0.005","19.734","0.007","104.523","0.005","96.711","0.007","91.746","0.007","3817","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H76 B F24 N3 Ni O Si2 -","- C69 H76 B F24 N3 Ni O Si2 -","- C138 H152 B2 F48 N6 Ni2 O2 Si4 -","2","1","","Carl A. Laskowski; Gregory L. Hillhouse","Two-Coordinate d9 Complexes. Synthesis and Oxidation of NHC Nickel(I) Amides","Journal of the American Chemical Society","2008","130","","13846","13847","10.1021/ja805804s","","","0.71073","MoKα","","0.1056","0.0781","","","0.2074","0.2227","","","","","","0.983","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108522","14.4419","0.0002","24.1793","0.0003","51.1378","0.0007","90","","90","","90","","17857.1","0.4","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C84 H150 O4 Si4 U2 -","- C84 H150 O4 Si4 U2 -","- C672 H1200 O32 Si32 U16 -","8","1","","Alistair S. Frey; F. Geoffrey N. Cloke; Peter B. Hitchcock; Iain J. Day; Jennifer C. Green; Georgina Aitken","Mechanistic Studies on the Reductive Cyclooligomerisation of CO by U(III) Mixed Sandwich Complexes; the Molecular Structure of [(U(η-C8H6{SiiPr3-1,4}2)(η-Cp*)]2(μ-η1:η1-C2O2)","Journal of the American Chemical Society","2008","130","","13816","13817","10.1021/ja8059792","","x-ray","0.71073","MoKα","","0.0777","0.0645","","","0.1262","0.1302","","","","","","1.306","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108523","13.3216","0.0002","17.9584","0.0003","18.3048","0.0003","100.239","0.001","97.9372","0.0007","98.9409","0.0006","4194.73","0.12","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H134 Br2 Si16 -","- C60 H134 Br2 Si16 -","- C120 H268 Br4 Si32 -","2","1","","Takahiro Sasamori; Koji Hironaka; Yusuke Sugiyama; Nozomi Takagi; Shigeru Nagase; Yoshinobu Hosoi; Yukio Furukawa; Norihiro Tokitoh","Synthesis and Reactions of a Stable 1,2-Diaryl-1,2-dibromodisilene: A Precursor for Substituted Disilenes and a 1,2-Diaryldisilyne","Journal of the American Chemical Society","2008","130","","13856","13857","10.1021/ja8061002","","","0.71069","MoKα","","0.0415","0.0288","","","0.0671","0.0706","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108524","18.5893","0.0003","12.7057","0.0002","38.2073","0.0007","90","","101.562","0.0008","90","","8841.1","0.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H141 Br2 Si16 -","- C63 H141 Br2 Si16 -","- C252 H564 Br8 Si64 -","4","1","","Takahiro Sasamori; Koji Hironaka; Yusuke Sugiyama; Nozomi Takagi; Shigeru Nagase; Yoshinobu Hosoi; Yukio Furukawa; Norihiro Tokitoh","Synthesis and Reactions of a Stable 1,2-Diaryl-1,2-dibromodisilene: A Precursor for Substituted Disilenes and a 1,2-Diaryldisilyne","Journal of the American Chemical Society","2008","130","","13856","13857","10.1021/ja8061002","","","0.71069","MoKα","","0.0633","0.0399","","","0.0963","0.1081","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108525","13.2621","0.0003","18.6172","0.0003","19.7599","0.0003","114.414","0.0008","99.4484","0.0008","96.362","0.002","4294.7","0.14","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H143 Br Si16 -","- C64 H143 Br Si16 -","- C128 H286 Br2 Si32 -","2","1","","Takahiro Sasamori; Koji Hironaka; Yusuke Sugiyama; Nozomi Takagi; Shigeru Nagase; Yoshinobu Hosoi; Yukio Furukawa; Norihiro Tokitoh","Synthesis and Reactions of a Stable 1,2-Diaryl-1,2-dibromodisilene: A Precursor for Substituted Disilenes and a 1,2-Diaryldisilyne","Journal of the American Chemical Society","2008","130","","13856","13857","10.1021/ja8061002","","","0.71069","MoKα","","0.0809","0.0445","","","0.0932","0.1022","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108526","16.6701","0.0004","16.6701","0.0004","33.7498","0.0011","90","","90","","90","","9378.8","0.4","103","2","103","2","","","","","","","","3","P 42 21 2","P 4n 2n","94","","","","- C74 H150 Si16 -","- C74 H150 Si16 -","- C296 H600 Si64 -","4","0.5","","Takahiro Sasamori; Koji Hironaka; Yusuke Sugiyama; Nozomi Takagi; Shigeru Nagase; Yoshinobu Hosoi; Yukio Furukawa; Norihiro Tokitoh","Synthesis and Reactions of a Stable 1,2-Diaryl-1,2-dibromodisilene: A Precursor for Substituted Disilenes and a 1,2-Diaryldisilyne","Journal of the American Chemical Society","2008","130","","13856","13857","10.1021/ja8061002","","","0.71069","MoKα","","0.1762","0.0723","","","0.1497","0.2028","","","","","","1.026","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108527","7.8633","0.0003","12.3026","0.0004","13.8229","0.0005","90","","90","","90","","1337.21","0.08","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","","Guillaume Barbe; André B. Charette","Total Synthesis of (+)-Lepadin B: Stereoselective Synthesis of Nonracemic Polysubstituted Hydroquinolines Using an RC-ROM Process","Journal of the American Chemical Society","2008","130","","13873","13875","10.1021/ja8068215","","","1.54178","CuKα","","0.0319","0.0306","","","0.0822","0.0832","","","","","","1.16","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108528","22.501","0.002","6.562","0.0007","23.365","0.002","90","","100.494","0.006","90","","3392.2","0.6","150","2","150","2","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C152 H168 N8 O32 -","8","1","","Guillaume Barbe; André B. Charette","Total Synthesis of (+)-Lepadin B: Stereoselective Synthesis of Nonracemic Polysubstituted Hydroquinolines Using an RC-ROM Process","Journal of the American Chemical Society","2008","130","","13873","13875","10.1021/ja8068215","","","1.54178","CuKα","","0.0811","0.058","","","0.1508","0.1668","","","","","","1.04","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108529","9.7667","0.0003","10.593","0.0003","10.9641","0.0003","80.7093","0.0015","71.5065","0.0013","73.983","0.0018","1030.59","0.05","150","2","150","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C26 H29 N O2 -","- C26 H29 N O2 -","- C52 H58 N2 O4 -","2","1","","Guillaume Barbe; André B. Charette","Total Synthesis of (+)-Lepadin B: Stereoselective Synthesis of Nonracemic Polysubstituted Hydroquinolines Using an RC-ROM Process","Journal of the American Chemical Society","2008","130","","13873","13875","10.1021/ja8068215","","","1.54178","CuKα","","0.0627","0.0518","","","0.1965","0.2051","","","","","","1.058","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108530","10.988","0.003","11.469","0.002","11.757","0.004","81.7","0.02","73.58","0.02","71.71","0.02","1346.9","0.7","293","2","253","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H82 Li2 O2 -","- C58 H82 Li2 O2 -","- C58 H82 Li2 O2 -","1","0.5","","Rudolf Knorr; Thomas Menke; Kathrin Ferchland; Johann Mehlstäubl; David S. Stephenson","Microsolvation and 13C-Li NMR Coupling","Journal of the American Chemical Society","2008","130","","14179","14188","10.1021/ja8026828","","","0.71069","MoKα","","0.1452","0.1072","","0.3078","0.2724","","","","1.171","1.373","1.373","","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108531","19.465","0.004","9.769","0.003","25.461","0.006","90","","104.01","0.01","90","","4697","2","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C55 H66 Li2 O2 -","- C55 H66 Li2 O2 -","- C220 H264 Li8 O8 -","4","0.5","","Rudolf Knorr; Thomas Menke; Kathrin Ferchland; Johann Mehlstäubl; David S. Stephenson","Microsolvation and 13C-Li NMR Coupling","Journal of the American Chemical Society","2008","130","","14179","14188","10.1021/ja8026828","","","0.71073","MoKα","","0.1207","0.0548","","0.1529","0.1187","","","","1.016","1.09","1.09","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108532","11.8651","0.0015","11.168","0.003","20.524","0.004","90","0.02","95.995","0.012","90","0.02","2704.8","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H78 Li2 O2 Si2 -","- C54 H78 Li2 O2 Si2 -","- C108 H156 Li4 O4 Si4 -","2","0.5","","Rudolf Knorr; Thomas Menke; Kathrin Ferchland; Johann Mehlstäubl; David S. Stephenson","Microsolvation and 13C-Li NMR Coupling","Journal of the American Chemical Society","2008","130","","14179","14188","10.1021/ja8026828","","","0.71069","MoKα","","0.1028","0.0641","","0.1764","0.1524","","","","1.078","1.165","1.165","","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108533","6.63098","0.00022","15.9473","0.0007","13.9205","0.0006","90","","90","","90","","1472.04","0.1","","","","","","","","","","","","4","I m m a","-I 2b 2","74","MIL-53 ortho-xylene","","","- C8 H5 Al O5 -","- C18.88 Al O -","- C75.52 Al4 O4 -","4","0.25","","Luc Alaerts; Michael Maes; Lars Giebeler; Pierre A. Jacobs; Johan A. Martens; Joeri F. M. Denayer; Christine E. A. Kirschhock; Dirk E. De Vos","Selective Adsorption and Separation of ortho-Substituted Alkylaromatics with the Microporous Aluminum Terephthalate MIL-53","Journal of the American Chemical Society","2008","130","","14170","14178","10.1021/ja802761z","powder diffraction","","","","","","","","","","","","","4.55","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108534","6.63456","0.00028","16.0005","0.0008","13.8726","0.0007","90","","90","","90","","1472.66","0.12","","","","","","","","","","","","4","I m m a","-I 2b 2","74","MIL-53 meta-xylene","","","- C8 H5 Al O5 -","- C19.36 Al O -","- C77.44 Al4 O4 -","4","0.25","","Luc Alaerts; Michael Maes; Lars Giebeler; Pierre A. Jacobs; Johan A. Martens; Joeri F. M. Denayer; Christine E. A. Kirschhock; Dirk E. De Vos","Selective Adsorption and Separation of ortho-Substituted Alkylaromatics with the Microporous Aluminum Terephthalate MIL-53","Journal of the American Chemical Society","2008","130","","14170","14178","10.1021/ja802761z","powder diffraction","","","","","","","","","","","","","5.65","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108535","16.243","0.004","6.6352","0.001","13.4943","0.0028","90","","90","","90","","1454.4","0.5","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","MIL-53","","","- C8 H5 Al O5 -","- C12 Al O -","- C48 Al4 O4 -","4","0.5","","Luc Alaerts; Michael Maes; Lars Giebeler; Pierre A. Jacobs; Johan A. Martens; Joeri F. M. Denayer; Christine E. A. Kirschhock; Dirk E. De Vos","Selective Adsorption and Separation of ortho-Substituted Alkylaromatics with the Microporous Aluminum Terephthalate MIL-53","Journal of the American Chemical Society","2008","130","","14170","14178","10.1021/ja802761z","powder diffraction","","","","","","","","","","","","","8.49","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108536","6.6218","0.0017","16.2148","0.0022","13.5886","0.0023","90","","90","","90","","1459","0.5","","","","","","","","","","","","4","I m m a","-I 2b 2","74","MIL-53","","","- C8 H5 Al O5 -","- C27.2 Al O -","- C108.8 Al4 O4 -","4","0.25","","Luc Alaerts; Michael Maes; Lars Giebeler; Pierre A. Jacobs; Johan A. Martens; Joeri F. M. Denayer; Christine E. A. Kirschhock; Dirk E. De Vos","Selective Adsorption and Separation of ortho-Substituted Alkylaromatics with the Microporous Aluminum Terephthalate MIL-53","Journal of the American Chemical Society","2008","130","","14170","14178","10.1021/ja802761z","powder diffraction","","","","","","","","","","","","","8.49","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108537","6.63378","0.00022","16.2884","0.0006","13.4909","0.0005","90","","90","","90","","1457.74","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","MIL-53 ortho-cymene","","","- C8 H5 Al O5 -","- C20.516 Al O -","- C82.064 Al4 O4 -","4","0.25","","Luc Alaerts; Michael Maes; Lars Giebeler; Pierre A. Jacobs; Johan A. Martens; Joeri F. M. Denayer; Christine E. A. Kirschhock; Dirk E. De Vos","Selective Adsorption and Separation of ortho-Substituted Alkylaromatics with the Microporous Aluminum Terephthalate MIL-53","Journal of the American Chemical Society","2008","130","","14170","14178","10.1021/ja802761z","powder diffraction","","","","","","","","","","","","","4.87","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108538","16.101","0.0004","13.7952","0.0004","9.9077","0.0003","90","","90","","90","","2200.66","0.11","110","","110","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C17 H30 B Cl F4 Fe N4 S -","- C17 H30 B Cl F4 Fe N4 S -","- C68 H120 B4 Cl4 F16 Fe4 N16 S4 -","4","1","","Frances Namuswe; Gary D. Kasper; Amy A. Narducci Sarjeant; Takahiro Hayashi; Courtney M. Krest; Michael T. Green; Pierre Moënne-Loccoz; David P. Goldberg","Rational Tuning of the Thiolate Donor in Model Complexes of Superoxide Reductase: Direct Evidence for a trans Influence in FeIII-OOR Complexes","Journal of the American Chemical Society","2008","130","","14189","14200","10.1021/ja8031828","","","0.71073","MoKα","","0.103","0.0719","","","0.1961","0.2412","","","","","","1.071","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108539","15.7595","0.0004","14.3395","0.0003","10.0194","0.0003","90","","90","","90","","2264.22","0.1","","","110","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C18 H33 B F4 Fe N4 O S -","- C18 H33 B F4 Fe N4 O S -","- C72 H132 B4 F16 Fe4 N16 O4 S4 -","4","1","","Frances Namuswe; Gary D. Kasper; Amy A. Narducci Sarjeant; Takahiro Hayashi; Courtney M. Krest; Michael T. Green; Pierre Moënne-Loccoz; David P. Goldberg","Rational Tuning of the Thiolate Donor in Model Complexes of Superoxide Reductase: Direct Evidence for a trans Influence in FeIII-OOR Complexes","Journal of the American Chemical Society","2008","130","","14189","14200","10.1021/ja8031828","","","0.71073","MoKα","","0.1129","0.0947","","","0.229","0.2428","","","","","","1.076","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108540","8.8233","0.0002","22.7707","0.0006","15.2423","0.0004","90","","103.444","0.003","90","","2978.46","0.13","","","110","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C23 H26 B F13 Fe N4 S2 -","- C23 H26 B F13 Fe N4 S2 -","- C92 H104 B4 F52 Fe4 N16 S8 -","4","1","","Frances Namuswe; Gary D. Kasper; Amy A. Narducci Sarjeant; Takahiro Hayashi; Courtney M. Krest; Michael T. Green; Pierre Moënne-Loccoz; David P. Goldberg","Rational Tuning of the Thiolate Donor in Model Complexes of Superoxide Reductase: Direct Evidence for a trans Influence in FeIII-OOR Complexes","Journal of the American Chemical Society","2008","130","","14189","14200","10.1021/ja8031828","","","0.71073","MoKα","","0.0583","0.0401","","","0.0892","0.1005","","","","","","1.047","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108541","16.0267","0.0003","13.6455","0.0003","10.1189","0.0002","90","","90","","90","","2212.93","0.08","","","110","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C17 H30 B F4 Fe N5 O2 S -","- C17 H30 B F4 Fe N5 O2 S -","- C68 H120 B4 F16 Fe4 N20 O8 S4 -","4","1","","Frances Namuswe; Gary D. Kasper; Amy A. Narducci Sarjeant; Takahiro Hayashi; Courtney M. Krest; Michael T. Green; Pierre Moënne-Loccoz; David P. Goldberg","Rational Tuning of the Thiolate Donor in Model Complexes of Superoxide Reductase: Direct Evidence for a trans Influence in FeIII-OOR Complexes","Journal of the American Chemical Society","2008","130","","14189","14200","10.1021/ja8031828","","","0.71073","MoKα","","0.1115","0.0831","","","0.2256","0.2648","","","","","","1.08","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108542","8.9104","0.0009","22.243","0.002","9.5035","0.0008","90","","90.486","0.003","90","","1883.5","0.3","110","2","110","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H9 N3 -","- C27 H9 N3 -","- C108 H36 N12 -","4","1","","Kazukuni Tahara; Takumi Fujita; Motohiro Sonoda; Motoo Shiro; Yoshito Tobe","Donors and Acceptors Based on Triangular Dehydrobenzo[12]annulenes: Formation of a Triple-Layered Rosette Structure by a Charge-Transfer Complex","Journal of the American Chemical Society","2008","130","","14339","14345","10.1021/ja804604y","","x-ray","0.71073","MoKα","","0.1761","0.0695","","","0.0886","0.1096","","","","","","0.914","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108543","5.1021","0.0011","16.743","0.003","21.306","0.004","90","","95.741","0.007","90","","1810.9","0.6","110","2","110","2","","","","","","","synthesis as described","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 F12 -","- C24 F12 -","- C96 F48 -","4","1","","Kazukuni Tahara; Takumi Fujita; Motohiro Sonoda; Motoo Shiro; Yoshito Tobe","Donors and Acceptors Based on Triangular Dehydrobenzo[12]annulenes: Formation of a Triple-Layered Rosette Structure by a Charge-Transfer Complex","Journal of the American Chemical Society","2008","130","","14339","14345","10.1021/ja804604y","","x-ray","0.71073","MoKα","","0.1884","0.0834","","","0.1737","0.2297","","","","","","0.983","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108544","9.293","0.002","26.564","0.007","16.569","0.003","90","","98.146","0.007","90","","4048.9","1.6","140","2","110","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H63 N3 -","- C48 H63 N3 -","- C192 H252 N12 -","4","1","","Kazukuni Tahara; Takumi Fujita; Motohiro Sonoda; Motoo Shiro; Yoshito Tobe","Donors and Acceptors Based on Triangular Dehydrobenzo[12]annulenes: Formation of a Triple-Layered Rosette Structure by a Charge-Transfer Complex","Journal of the American Chemical Society","2008","130","","14339","14345","10.1021/ja804604y","","x-ray","0.71073","MoKα","","0.0686","0.0557","","","0.1548","0.1626","","","","","","1.093","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108545","19.6903","0.0004","19.7776","0.0005","19.8704","0.0005","90","","119.714","0.0011","90","","6720.6","0.3","110.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C164 H83 Cl6 F36 N9 -","- C164 H83 Cl6 F36 N9 -","- C328 H166 Cl12 F72 N18 -","2","1","","Kazukuni Tahara; Takumi Fujita; Motohiro Sonoda; Motoo Shiro; Yoshito Tobe","Donors and Acceptors Based on Triangular Dehydrobenzo[12]annulenes: Formation of a Triple-Layered Rosette Structure by a Charge-Transfer Complex","Journal of the American Chemical Society","2008","130","","14339","14345","10.1021/ja804604y","","","1.54187","CuKα","","0.0845","0.0566","","","0.143","0.1622","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108546","16.8732","0.0008","18.0144","0.0007","17.8583","0.0008","90","","90","","90","","5428.2","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C52 H60 I2 N2 Na2 Zr2 -","- C52 H60 I2 N2 Na2 Zr2 -","- C208 H240 I8 N8 Na8 Zr8 -","4","0.5","","Doris Pun; Christopher A. Bradley; Emil Lobkovsky; Ivan Keresztes; Paul J. Chirik","N2 Hydrogenation from Activated End-On Bis(indenyl) Zirconium Dinitrogen Complexes","Journal of the American Chemical Society","2008","130","","14046","14047","10.1021/ja8048332","","","0.71073","MoKα","","0.0648","0.0419","","","0.0951","0.1037","","","","","","0.978","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4108547","15.2867","0.0004","15.2867","0.0004","23.8065","0.0013","90","","90","","90","","5563.2","0.4","173","2","173","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C52 H60 Cl2 N2 Na2 Zr2 -","- C52 H60 Cl2 N2 Na2 Zr2 -","- C208 H240 Cl8 N8 Na8 Zr8 -","4","0.5","","Doris Pun; Christopher A. Bradley; Emil Lobkovsky; Ivan Keresztes; Paul J. Chirik","N2 Hydrogenation from Activated End-On Bis(indenyl) Zirconium Dinitrogen Complexes","Journal of the American Chemical Society","2008","130","","14046","14047","10.1021/ja8048332","","","0.71073","MoKα","","0.0458","0.0364","","","0.0951","0.0995","","","","","","1.07","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4108548","10.4103","0.001","17.739","0.0017","22.685","0.002","90","","98.583","0.002","90","","4142.3","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexa-(4-Cyanophenyloxy)benzene","Hexa-(4-Cyanophenyloxy)benzene","","- C48 H24 N6 O6 -","- C48 H24 N6 O6 -","- C192 H96 N24 O24 -","4","1","","Dinabandhu Das; Leonard J. Barbour","Polymorphism of a Hexa-host: Isolation of Four Different Single-Crystal Phases by Melt Crystallization","Journal of the American Chemical Society","2008","130","","14032","14033","10.1021/ja804940v","","","0.71073","MoKα","","0.2037","0.0628","","","0.1621","0.2389","","","","","","0.919","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108549","17.667","0.002","19.927","0.002","11.4546","0.0014","90","","99.546","0.003","90","","3976.8","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexa-(4-Cyanophenyloxy)benzene","Hexa-(4-Cyanophenyloxy)benzene","","- C48 H24 N6 O6 -","- C48 H24 N6 O6 -","- C192 H96 N24 O24 -","4","1","","Dinabandhu Das; Leonard J. Barbour","Polymorphism of a Hexa-host: Isolation of Four Different Single-Crystal Phases by Melt Crystallization","Journal of the American Chemical Society","2008","130","","14032","14033","10.1021/ja804940v","","","0.71073","MoKα","","0.134","0.0838","","","0.1496","0.1684","","","","","","1.156","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108550","30.66","0.014","8.656","0.004","17.054","0.008","90","","117.276","0.007","90","","4023","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Hexa-(4-Cyanophenyloxy)benzene","Hexa-(4-Cyanophenyloxy)benzene","","- C48 H24 N6 O6 -","- C48 H24 N6 O6 -","- C192 H96 N24 O24 -","4","0.5","","Dinabandhu Das; Leonard J. Barbour","Polymorphism of a Hexa-host: Isolation of Four Different Single-Crystal Phases by Melt Crystallization","Journal of the American Chemical Society","2008","130","","14032","14033","10.1021/ja804940v","","","0.71073","MoKα","","0.1639","0.1201","","","0.3268","0.3474","","","","","","1.124","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108551","20.65","0.003","11.8192","0.0019","15.995","0.003","90","","90","","90","","3903.8","1.1","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Hexa-(4-Cyanophenyloxy)benzene","Hexa-(4-Cyanophenyloxy)benzene","","- C48 H24 N6 O6 -","- C48 H24 N6 O6 -","- C192 H96 N24 O24 -","4","0.5","","Dinabandhu Das; Leonard J. Barbour","Polymorphism of a Hexa-host: Isolation of Four Different Single-Crystal Phases by Melt Crystallization","Journal of the American Chemical Society","2008","130","","14032","14033","10.1021/ja804940v","","","0.71073","MoKα","","0.1038","0.0581","","","0.1199","0.1401","","","","","","1.023","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108552","14.0704","0.0014","18.0074","0.0018","14.4245","0.0014","90","","92.244","0.002","90","","3652","0.6","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H20 Au F20 N S4 -","- C32 H20 Au F20 N S4 -","- C128 H80 Au4 F80 N4 S16 -","4","1","","Robert E. Bachman; Sheri A. Bodolosky-Bettis; Chelsea J. Pyle; Margaret Anne Gray","Reversible Oxidative Addition and Reductive Elimination of Fluorinated Disulfides at Gold(I) Thiolate Complexes: A New Ligand Exchange Mechanism","Journal of the American Chemical Society","2008","130","","14303","14310","10.1021/ja805266r","","","0.71073","MoKα","","0.0747","0.0472","","","0.0625","0.069","","","","","","0.938","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108553","10.2038","0.0008","19.3075","0.0015","10.2546","0.0008","90","","92.171","0.001","90","","2018.8","0.3","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C34 H24 Au F16 N O S4 -","- C33.99 H24 Au F16 N O S4 -","- C67.98 H48 Au2 F32 N2 O2 S8 -","2","0.5","","Robert E. Bachman; Sheri A. Bodolosky-Bettis; Chelsea J. Pyle; Margaret Anne Gray","Reversible Oxidative Addition and Reductive Elimination of Fluorinated Disulfides at Gold(I) Thiolate Complexes: A New Ligand Exchange Mechanism","Journal of the American Chemical Society","2008","130","","14303","14310","10.1021/ja805266r","","","0.71073","MoKα","","0.0778","0.0362","","","0.0827","0.0974","","","","","","0.981","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108554","13.7387","0.0017","9.9116","0.0012","17.808","0.002","90","","104.81","0.002","90","","2344.4","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Au F10 N S2 -","- C20 H18 Au F10 N S2 -","- C80 H72 Au4 F40 N4 S8 -","4","1","","Robert E. Bachman; Sheri A. Bodolosky-Bettis; Chelsea J. Pyle; Margaret Anne Gray","Reversible Oxidative Addition and Reductive Elimination of Fluorinated Disulfides at Gold(I) Thiolate Complexes: A New Ligand Exchange Mechanism","Journal of the American Chemical Society","2008","130","","14303","14310","10.1021/ja805266r","","","0.71073","MoKα","","0.067","0.0396","","","0.087","0.0966","","","","","","0.942","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108555","10.477","0.0014","11.1712","0.0015","9.7209","0.0013","90","","98.117","0.002","90","","1126.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Au F8 N S2 -","- C20 H22 Au F8 N S2 -","- C40 H44 Au2 F16 N2 S4 -","2","0.5","","Robert E. Bachman; Sheri A. Bodolosky-Bettis; Chelsea J. Pyle; Margaret Anne Gray","Reversible Oxidative Addition and Reductive Elimination of Fluorinated Disulfides at Gold(I) Thiolate Complexes: A New Ligand Exchange Mechanism","Journal of the American Chemical Society","2008","130","","14303","14310","10.1021/ja805266r","","","0.71073","MoKα","","0.0645","0.0331","","","0.0698","0.0781","","","","","","1.007","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108556","8.9755","0.0004","10.0418","0.0004","15.1088","0.0007","90","","90","","90","","1361.76","0.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N O7 -","- C12 H19 N O7 -","- C48 H76 N4 O28 -","4","1","","Qin Liu; Stéphane Perreault; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Glyoxamides with Alkylidenemalonates","Journal of the American Chemical Society","2008","130","","14066","14067","10.1021/ja805680z","","","0.71073","MoKα","","0.0329","0.0292","","","0.0766","0.0791","","","","","","1.037","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108557","8.973","0.0014","10.0535","0.0015","15.128","0.002","90","","90","","90","","1364.7","0.3","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 O7 -","- C13 H19 O7 -","- C52 H76 O28 -","4","1","","Qin Liu; Stéphane Perreault; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Glyoxamides with Alkylidenemalonates","Journal of the American Chemical Society","2008","130","","14066","14067","10.1021/ja805680z","","","1.54178","CuKα","","0.0318","0.0307","","","0.0787","0.0796","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108558","11.613","0.001","12.79","0.001","18.008","0.001","69.383","0.003","85.262","0.004","87.001","0.004","2494.1","0.3","204","1","204","1","","","","","","","","7","P -1","-P 1","2","","","","- C67 H73 Cl N5 O4 Pt8 S32 -","- C67 H73 Cl N5 O4 Pt8 S32 -","- C67 H73 Cl N5 O4 Pt8 S32 -","1","0.5","","Minoru Mitsumi; Hidekazu Ueda; Kazumi Furukawa; Yoshiki Ozawa; Koshiro Toriumi; Mohamedally Kurmoo","Constructing Highly Conducting Metal-Metal Bonded Solids by Electrocrystallization of [PtII2(RCS2)4] (RCS2-= Dithiocarboxylato, R = Methyl or Ethyl)","Journal of the American Chemical Society","2008","130","","14102","14104","10.1021/ja805794a","","","0.564","synchrotron","","0.077","0.0545","","","0.1299","0.1398","","","","","","1.028","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108559","13.971","0.001","13.971","0.001","28.774","0.001","90","","90","","90","","5616.4","0.6","298","1","298","1","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C60 H100 Cl2 O8 Pt10 S40 -","- C60 H100 Cl2 O8 Pt10 S40 -","- C120 H200 Cl4 O16 Pt20 S80 -","2","0.125","","Minoru Mitsumi; Hidekazu Ueda; Kazumi Furukawa; Yoshiki Ozawa; Koshiro Toriumi; Mohamedally Kurmoo","Constructing Highly Conducting Metal-Metal Bonded Solids by Electrocrystallization of [PtII2(RCS2)4] (RCS2-= Dithiocarboxylato, R = Methyl or Ethyl)","Journal of the American Chemical Society","2008","130","","14102","14104","10.1021/ja805794a","","","0.5643","synchrotron","","0.0493","0.0311","","","0.0789","0.0916","","","","","","1.069","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108560","9.243","0.002","17.038","0.003","18.927","0.003","90","","90","","90","","2980.7","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H47 Fe P Si2 -","- C28 H47 Fe P Si2 -","- C112 H188 Fe4 P4 Si8 -","4","1","","Arnaud Voituriez; Armen Panossian; Nicolas Fleury-Brégeot; Pascal Retailleau; Angela Marinetti","2-Phospha[3]ferrocenophanes with Planar Chirality: Synthesis and Use in Enantioselective Organocatalytic [3 + 2] Cyclizations","Journal of the American Chemical Society","2008","130","","14030","14031","10.1021/ja806060a","","","0.71069","MoKα","","0.0392","0.0308","","","0.0689","0.0732","","","","","","1.05","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108561","8.789","0.004","12.145","0.005","13.013","0.005","90","","108.875","0.005","90","","1314.3","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H39 Fe P Si2 -","- C24 H39 Fe P Si2 -","- C48 H78 Fe2 P2 Si4 -","2","1","","Arnaud Voituriez; Armen Panossian; Nicolas Fleury-Brégeot; Pascal Retailleau; Angela Marinetti","2-Phospha[3]ferrocenophanes with Planar Chirality: Synthesis and Use in Enantioselective Organocatalytic [3 + 2] Cyclizations","Journal of the American Chemical Society","2008","130","","14030","14031","10.1021/ja806060a","","","0.71069","MoKα","","0.0806","0.0528","","","0.1074","0.1205","","","","","","1.068","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108562","11.36","0.003","50.827","0.012","13.745","0.003","90","","90.208","0.005","90","","7936","3","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H48 N2 O10 S -","- C40 H48 N2 O10 S -","- C320 H384 N16 O80 S8 -","8","4","","Daisuke Uraguchi; Yusuke Ueki; Takashi Ooi","Chiral Tetraaminophosphonium Carboxylate-Catalyzed Direct Mannich-Type Reaction","Journal of the American Chemical Society","2008","130","","14088","14089","10.1021/ja806311e","","","0.71073","MoKα","","0.0884","0.0653","","","0.1618","0.1789","","","","","","1.021","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108563","13.813","0.004","15.029","0.005","15.943","0.005","90","","90","","90","","3309.7","1.8","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 Cl N4 O P -","- C36 H44 Cl N4 O P -","- C144 H176 Cl4 N16 O4 P4 -","4","1","","Daisuke Uraguchi; Yusuke Ueki; Takashi Ooi","Chiral Tetraaminophosphonium Carboxylate-Catalyzed Direct Mannich-Type Reaction","Journal of the American Chemical Society","2008","130","","14088","14089","10.1021/ja806311e","","","0.71073","MoKα","","0.0772","0.0615","","","0.1293","0.137","","","","","","1.078","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108564","12.212","0.003","15.543","0.003","19.012","0.004","90","","90","","90","","3608.7","1.4","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H49 Cl N4 O P -","- C38 H44 Cl N4 O P -","- C152 H176 Cl4 N16 O4 P4 -","4","1","","Daisuke Uraguchi; Yusuke Ueki; Takashi Ooi","Chiral Tetraaminophosphonium Carboxylate-Catalyzed Direct Mannich-Type Reaction","Journal of the American Chemical Society","2008","130","","14088","14089","10.1021/ja806311e","","","0.71073","MoKα","","0.1062","0.0822","","","0.1771","0.1912","","","","","","1.058","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108565","16.4909","0.0006","10.7097","0.0004","18.2991","0.0006","90","","93.922","0.003","90","","3224.3","0.2","293","","293","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C48 H30 -","- C48 H30 -","- C192 H120 -","4","1","","Matthew Carnes; Daniela Buccella; Theo Siegrist; Michael L. Steigerwald; Colin Nuckolls","Reactions of Strained Hydrocarbons with Alkene and Alkyne Metathesis Catalysts","Journal of the American Chemical Society","2008","130","","14078","14079","10.1021/ja806351m","","","0.71073","MoKα","","0.1704","0.0617","","0.1711","0.059","0.059","","","","","","1.5652","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108566","11.744","0.0013","12.5222","0.0014","12.5635","0.0014","87.834","0.002","62.809","0.002","80.779","0.002","1620.9","0.3","125","2","125","2","","","","","","","","2","P -1","-P 1","2","","","","- C48 H30 -","- C48 H30 -","- C96 H60 -","2","1","","Matthew Carnes; Daniela Buccella; Theo Siegrist; Michael L. Steigerwald; Colin Nuckolls","Reactions of Strained Hydrocarbons with Alkene and Alkyne Metathesis Catalysts","Journal of the American Chemical Society","2008","130","","14078","14079","10.1021/ja806351m","","","0.71073","MoKα","","0.1609","0.0574","","","0.0972","0.1287","","","","","","0.92","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108567","10.3201","0.0003","8.9747","0.0002","13.8645","0.0004","90","","100.472","0.002","90","","1262.74","0.06","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 B N O5 -","- C12 H14 B N O5 -","- C48 H56 B4 N4 O20 -","4","1","","Eric P. Gillis; Martin D. Burke","Multistep Synthesis of Complex Boronic Acids from Simple MIDA Boronates","Journal of the American Chemical Society","2008","130","","14084","14085","10.1021/ja8063759","","","0.71073","MoKα","","0.0563","0.0391","","","0.0955","0.1049","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108568","11.219","0.01","16.968","0.015","6.392","0.006","90","","90","","90","","1216.8","1.9","193","2","193","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H18 B N O3 -","- C12 H18 B N O3 -","- C48 H72 B4 N4 O12 -","4","1","","Eric P. Gillis; Martin D. Burke","Multistep Synthesis of Complex Boronic Acids from Simple MIDA Boronates","Journal of the American Chemical Society","2008","130","","14084","14085","10.1021/ja8063759","","","0.71073","MoKα","","0.0602","0.037","","","0.0853","0.091","","","","","","0.993","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108569","23.651","0.009","15.403","0.006","27.484","0.011","90","","97.371","0.006","90","","9930","7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C104 H84 O8 P4 Pd4 -","- C104 H84 O8 P4 Pd4 -","- C416 H336 O32 P16 Pd16 -","4","1","","Ramesh Giri; Jin-Quan Yu","Synthesis of 1,2- and 1,3-Dicarboxylic Acids via Pd(II)-Catalyzed Carboxylation of Aryl and Vinyl C-H Bonds","Journal of the American Chemical Society","2008","130","","14082","14083","10.1021/ja8063827","","","0.71073","MoKα","","0.0516","0.0358","","","0.0825","0.0871","","","","","","1.05","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108570","9.0355","0.0002","11.3888","0.0002","12.5102","0.0003","103.056","0.001","96.27","0.001","102.349","0.0009","1208.15","0.05","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H20 Cu Fe3 N O9 Te -","- C17 H20 Cu Fe3 N O9 Te -","- C34 H40 Cu2 Fe6 N2 O18 Te2 -","2","1","","Minghuey Shieh; Chia-Hua Ho; Wen-Shyan Sheu; Bo-Gaun Chen; Yen-Yi Chu; Chia-Yeh Miu; Hsiang-Lin Liu; Chih-Chiang Shen","Semiconducting Tellurium-Iron-Copper Carbonyl Polymers","Journal of the American Chemical Society","2008","130","","14114","14116","10.1021/ja8065623","","","0.71073","MoKα","","0.0537","0.0427","","","0.1136","0.1387","","","","","","1.108","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108571","8.201","0.0006","9.986","0.0007","16.986","0.0013","84.237","0.003","88.146","0.003","89.254","0.003","1383.25","0.18","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H24 Cu4 Fe6 N6 O18 Te2 -","- C48 H24 Cu4 Fe6 N6 O18 Te2 -","- C48 H24 Cu4 Fe6 N6 O18 Te2 -","1","0.5","","Minghuey Shieh; Chia-Hua Ho; Wen-Shyan Sheu; Bo-Gaun Chen; Yen-Yi Chu; Chia-Yeh Miu; Hsiang-Lin Liu; Chih-Chiang Shen","Semiconducting Tellurium-Iron-Copper Carbonyl Polymers","Journal of the American Chemical Society","2008","130","","14114","14116","10.1021/ja8065623","","","0.71073","MoKα","","0.1315","0.0721","","","0.1581","0.1899","","","","","","1.164","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108572","12.1878","0.0003","12.6552","0.0003","13.4231","0.0003","90","","90","","90","","2070.37","0.08","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H6 Cu2 Fe3 N2 O9 Te -","- C13 H6 Cu2 Fe3 N2 O9 Te -","- C52 H24 Cu8 Fe12 N8 O36 Te4 -","4","1","","Minghuey Shieh; Chia-Hua Ho; Wen-Shyan Sheu; Bo-Gaun Chen; Yen-Yi Chu; Chia-Yeh Miu; Hsiang-Lin Liu; Chih-Chiang Shen","Semiconducting Tellurium-Iron-Copper Carbonyl Polymers","Journal of the American Chemical Society","2008","130","","14114","14116","10.1021/ja8065623","","","0.71073","MoKα","","0.0407","0.0297","","","0.0633","0.0727","","","","","","1.157","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108573","10.652","0.001","12.256","0.001","12.595","0.001","86.96","0.01","70.73","0.01","65.17","0.01","1401.6","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Hydrido[bis(pentafluorophenyl){2-[(2,2,6,6-tetramethylpiperidinium-1-yl)- methyl]phenyl}borate","","- C31 H26 B D3 F10 N -","- C31 H26 B D3 F10 N -","- C62 H52 B2 D6 F20 N2 -","2","1","","Victor Sumerin; Felix Schulz; Michiko Atsumi; Cong Wang; Martin Nieger; Markku Leskelä; Timo Repo; Pekka Pyykkö; Bernhard Rieger","Molecular Tweezers for Hydrogen: Synthesis, Characterization, and Reactivity","Journal of the American Chemical Society","2008","130","","14117","14119","10.1021/ja806627s","","","0.71073","MoKα","","0.0646","0.0439","","","0.0923","0.1009","","","","","","1.034","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108574","6.0498","0.0002","18.4635","0.0006","18.5718","0.0005","90","","90","","90","","2074.48","0.11","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Br N2 O6 -","- C20 H19 Br N2 O6 -","- C80 H76 Br4 N8 O24 -","4","1","","Andrew J. Young; M. Christina White","Catalytic Intermolecular Allylic C-H Alkylation","Journal of the American Chemical Society","2008","130","","14090","14091","10.1021/ja806867p","","","0.71073","MoKα","","0.0488","0.0313","","","0.0583","0.0624","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108575","11.927","0.003","12.952","0.003","9.752","0.002","94","0.02","94.03","0.02","103.22","0.02","1457.2","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H36 F12 N4 O6 P4 Re2 -","- C52 H36 F12 N4 O6 P4 Re2 -","- C52 H36 F12 N4 O6 P4 Re2 -","1","0.5","","Youhei Yamamoto; Shuhei Sawa; Yusuke Funada; Tatsuki Morimoto; Magnus Falkenström; Hiroshi Miyasaka; Sayaka Shishido; Tomoji Ozeki; Kazuhide Koike; Osamu Ishitani","Systematic Synthesis, Isolation, and Photophysical Properties of Linear-Shaped Re(I) Oligomers and Polymers with 2-20 Units","Journal of the American Chemical Society","2008","130","","14659","14674","10.1021/ja8044579","","","0.71069","MoKα","","0.0448","0.043","","","0.1275","0.1295","","","","","","1.106","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108576","24.9802","0.0001","24.9802","0.0001","30.8551","0.0002","90","","90","","90","","19253.9","0.17","293","2","293","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C91 H64 F19.5 N6.5 O8 P7.25 Re3 -","- C91 H64 F19.5 N6.5 O8 P7.25 Re3 -","- C728 H512 F156 N52 O64 P58 Re24 -","8","0.5","","Youhei Yamamoto; Shuhei Sawa; Yusuke Funada; Tatsuki Morimoto; Magnus Falkenström; Hiroshi Miyasaka; Sayaka Shishido; Tomoji Ozeki; Kazuhide Koike; Osamu Ishitani","Systematic Synthesis, Isolation, and Photophysical Properties of Linear-Shaped Re(I) Oligomers and Polymers with 2-20 Units","Journal of the American Chemical Society","2008","130","","14659","14674","10.1021/ja8044579","","","0.71073","MoKα","","0.0539","0.0476","","","0.1562","0.1598","","","","","","1.075","","","","has coordinates","264242","2021-04-16","08:51:52",""
"4108577","14.485","0.002","16.5421","0.0002","22.1601","0.0004","86.85","","79.297","0.001","82.714","0.001","5172.6","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C118 H50 F72 N12 O6 P16 Re3 -","- C99 H90 F18 N6 O11 P7 Re3 -","- C198 H180 F36 N12 O22 P14 Re6 -","2","1","","Youhei Yamamoto; Shuhei Sawa; Yusuke Funada; Tatsuki Morimoto; Magnus Falkenström; Hiroshi Miyasaka; Sayaka Shishido; Tomoji Ozeki; Kazuhide Koike; Osamu Ishitani","Systematic Synthesis, Isolation, and Photophysical Properties of Linear-Shaped Re(I) Oligomers and Polymers with 2-20 Units","Journal of the American Chemical Society","2008","130","","14659","14674","10.1021/ja8044579","","","0.71073","MoKα","","0.0663","0.0438","","","0.101","0.1067","","","","","","0.891","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108578","15.8437","0.0007","16.8427","0.0005","25.4088","0.001","78.1431","0.0014","85.046","0.002","83.545","0.005","6579.7","0.4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C128 H104 F24 N8 O10 P10 Re4 -","- C128 H104 F24 N8 O10 P10 Re4 -","- C256 H208 F48 N16 O20 P20 Re8 -","2","1","","Youhei Yamamoto; Shuhei Sawa; Yusuke Funada; Tatsuki Morimoto; Magnus Falkenström; Hiroshi Miyasaka; Sayaka Shishido; Tomoji Ozeki; Kazuhide Koike; Osamu Ishitani","Systematic Synthesis, Isolation, and Photophysical Properties of Linear-Shaped Re(I) Oligomers and Polymers with 2-20 Units","Journal of the American Chemical Society","2008","130","","14659","14674","10.1021/ja8044579","","","0.7107","MoKα","","0.0688","0.0519","","","0.1459","0.1559","","","","","","0.925","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108579","10.636","0.005","9.558","0.004","13.761","0.006","90","","92.638","0.008","90","","1397.4","1.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H27 Br N2 O4 S -","- C30 H27 Br N2 O4 S -","- C60 H54 Br2 N4 O8 S2 -","2","1","","Xiao-Xia Yan; Qian Peng; Qing Li; Kai Zhang; Jun Yao; Xue-Long Hou; Yun-Dong Wu","Highly Diastereoselective Switchable Enantioselective Mannich Reaction of Glycine Derivatives with Imines","Journal of the American Chemical Society","2008","130","","14362","14363","10.1021/ja804527r","","","0.71073","MoKα","","0.1239","0.0698","","","0.1615","0.189","","","","","","0.865","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108580","9.517","0.003","10.707","0.003","27.359","0.007","90","","90","","90","","2787.8","1.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 Br N2 O4 S -","- C30 H27 Br N2 O4 S -","- C120 H108 Br4 N8 O16 S4 -","4","1","","Xiao-Xia Yan; Qian Peng; Qing Li; Kai Zhang; Jun Yao; Xue-Long Hou; Yun-Dong Wu","Highly Diastereoselective Switchable Enantioselective Mannich Reaction of Glycine Derivatives with Imines","Journal of the American Chemical Society","2008","130","","14362","14363","10.1021/ja804527r","","","0.71073","MoKα","","0.0961","0.0527","","","0.1065","0.1154","","","","","","0.805","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108581","5.3896","0.0008","9.8022","0.0015","9.3448","0.0013","90","","90.939","0.006","90","","493.62","0.13","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H18 O2 -","- C10 H18 O2 -","- C20 H36 O4 -","2","1","","Bruce H. Lipshutz; Benjamin Amorelli; John B. Unger","CuH-Catalyzed Enantioselective Intramolecular Reductive Aldol Reactions Generating Three New Contiguous Asymmetric Stereocenters","Journal of the American Chemical Society","2008","130","","14378","14379","10.1021/ja8045475","","","1.54178","CuKα","","0.0806","0.0804","","","0.2081","0.2087","","","","","","1.036","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108582","5.699","0.002","14.472","0.005","15.647","0.006","90","","90","","90","","1290.5","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Bruce H. Lipshutz; Benjamin Amorelli; John B. Unger","CuH-Catalyzed Enantioselective Intramolecular Reductive Aldol Reactions Generating Three New Contiguous Asymmetric Stereocenters","Journal of the American Chemical Society","2008","130","","14378","14379","10.1021/ja8045475","","","1.54178","CuKα","","0.0273","0.0263","","","0.0692","0.0703","","","","","","1.377","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108583","17.1419","0.0004","27.4558","0.0008","19.2037","0.0005","90","","90","","90","","9038.1","0.4","120","2","120","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C81 H138 N6 P6 Rh3 -","- C81 H138 N6 P6 Rh3 -","- C324 H552 N24 P24 Rh12 -","4","0.5","","Moran Feller; Mark A. Iron; Linda J. W. Shimon; Yael Diskin-Posner; Gregory Leitus; David Milstein","Competitive C-I versus C-CN Reductive Elimination from a RhIII Complex. Selectivity is Controlled by the Solvent","Journal of the American Chemical Society","2008","130","","14374","14375","10.1021/ja8046798","","","0.71073","MoKα","","0.0618","0.057","","","0.137","0.1391","","","","","","1.174","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108584","12.2971","0.0003","15.0942","0.0003","14.9436","0.0002","90","","100.304","0.0012","90","","2729.02","0.09","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H45 N2 O P2 Rh -","- C24 H45 N2 O P2 Rh -","- C96 H180 N8 O4 P8 Rh4 -","4","1","","Moran Feller; Mark A. Iron; Linda J. W. Shimon; Yael Diskin-Posner; Gregory Leitus; David Milstein","Competitive C-I versus C-CN Reductive Elimination from a RhIII Complex. Selectivity is Controlled by the Solvent","Journal of the American Chemical Society","2008","130","","14374","14375","10.1021/ja8046798","","","0.71073","MoKα","","0.0529","0.0363","","","0.0851","0.0903","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108585","11.3362","0.0001","17.2956","0.0003","16.0962","0.0003","90","","101.095","0.001","90","","3096.94","0.08","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H48 I N2 P2 Rh -","- C26 H48 I N2 P2 Rh -","- C104 H192 I4 N8 P8 Rh4 -","4","1","","Moran Feller; Mark A. Iron; Linda J. W. Shimon; Yael Diskin-Posner; Gregory Leitus; David Milstein","Competitive C-I versus C-CN Reductive Elimination from a RhIII Complex. Selectivity is Controlled by the Solvent","Journal of the American Chemical Society","2008","130","","14374","14375","10.1021/ja8046798","","","0.71073","MoKα","","0.0497","0.0404","","","0.1138","0.1192","","","","","","1.039","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108586","16.8151","0.0006","9.1697","0.0003","19.842","0.0006","90","","94.001","0.001","90","","3051.97","0.17","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H50 I N2 O P2 Rh -","- C26 H50 I N2 O P2 Rh -","- C104 H200 I4 N8 O4 P8 Rh4 -","4","1","","Moran Feller; Mark A. Iron; Linda J. W. Shimon; Yael Diskin-Posner; Gregory Leitus; David Milstein","Competitive C-I versus C-CN Reductive Elimination from a RhIII Complex. Selectivity is Controlled by the Solvent","Journal of the American Chemical Society","2008","130","","14374","14375","10.1021/ja8046798","","","0.71073","MoKα","","0.0294","0.0219","","","0.0504","0.0537","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108587","7.998","0.0016","12.678","0.003","28.966","0.006","90","","93.78","0.03","90","","2930.7","1.1","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 B F4 I N P2 Rh -","- C24 H46 B F4 I N P2 Rh -","- C96 H184 B4 F16 I4 N4 P8 Rh4 -","4","1","","Moran Feller; Mark A. Iron; Linda J. W. Shimon; Yael Diskin-Posner; Gregory Leitus; David Milstein","Competitive C-I versus C-CN Reductive Elimination from a RhIII Complex. Selectivity is Controlled by the Solvent","Journal of the American Chemical Society","2008","130","","14374","14375","10.1021/ja8046798","","","0.71073","MoKα","","0.0419","0.0295","","","0.0597","0.0632","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108588","8.0221","0.0016","12.745","0.003","28.956","0.006","90","","92.56","0.03","90","","2957.6","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 I2 N P2 Rh -","- C24 H46 I2 N P2 Rh -","- C96 H184 I8 N4 P8 Rh4 -","4","1","","Moran Feller; Mark A. Iron; Linda J. W. Shimon; Yael Diskin-Posner; Gregory Leitus; David Milstein","Competitive C-I versus C-CN Reductive Elimination from a RhIII Complex. Selectivity is Controlled by the Solvent","Journal of the American Chemical Society","2008","130","","14374","14375","10.1021/ja8046798","","","0.71073","MoKα","","0.0181","0.0168","","","0.0401","0.0407","","","","","","1.191","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108589","14.0741","0.0001","12.1989","0.0001","15.3447","0.0002","90","","112.524","0.0004","90","","2433.54","0.04","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 I N2 P2 Rh -","- C21 H38 I N2 P2 Rh -","- C84 H152 I4 N8 P8 Rh4 -","4","1","","Moran Feller; Mark A. Iron; Linda J. W. Shimon; Yael Diskin-Posner; Gregory Leitus; David Milstein","Competitive C-I versus C-CN Reductive Elimination from a RhIII Complex. Selectivity is Controlled by the Solvent","Journal of the American Chemical Society","2008","130","","14374","14375","10.1021/ja8046798","","","0.71073","MoKα","","0.0429","0.0302","","","0.0791","0.0839","","","","","","1.056","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108590","12.5803","0.0004","14.7766","0.0003","16.148","0.0006","90","","95.4492","0.0013","90","","2988.25","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H51 N2 O2 P2 Rh -","- C26 H51 N2 O2 P2 Rh -","- C104 H204 N8 O8 P8 Rh4 -","4","1","","Moran Feller; Mark A. Iron; Linda J. W. Shimon; Yael Diskin-Posner; Gregory Leitus; David Milstein","Competitive C-I versus C-CN Reductive Elimination from a RhIII Complex. Selectivity is Controlled by the Solvent","Journal of the American Chemical Society","2008","130","","14374","14375","10.1021/ja8046798","","","0.71073","MoKα","","0.0901","0.047","","","0.1043","0.1236","","","","","","1.035","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108591","20.846","0.003","20.846","0.003","50.333","0.01","90","","90","","120","","18942","5","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","2","","","- C164 H152 Cu6 F36 N24 O44 S12 -","- C163.94 H151.68 Cu6 F36 N24 O43.92 S12.02 -","- C491.82 H455.04 Cu18 F108 N72 O131.76 S36.06 -","3","0.166667","","Tamara D. Hamilton; Giannis S. Papaefstathiou; Tomislav Friščić; Dejan-Krešimir Bučar; Leonard R. MacGillivray","Onion-Shell Metal-Organic Polyhedra (MOPs): A General Approach to Decorate the Exteriors of MOPs using Principles of Supramolecular Chemistry","Journal of the American Chemical Society","2008","130","","14366","14367","10.1021/ja804863u","","","0.7107","MoKα","","0.1603","0.1318","","","0.3318","0.3493","","","","","","1.206","","4108628","","has coordinates,has disorder","215354","2020-10-21","18:00:00",""
"4108592","32.104","0.005","32.104","0.005","46.061","0.009","90","","90","","120","","41113","12","173","2","173","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","3","","","- C238 H273 Cl6 Cu6 N35 O54.5 S6 -","- C237.99 H272.94 Cl5.995 Cu6 N34.995 O54.48 S6 -","- C1427.94 H1637.64 Cl35.97 Cu36 N209.97 O326.88 S36 -","6","0.333333","","Tamara D. Hamilton; Giannis S. Papaefstathiou; Tomislav Friščić; Dejan-Krešimir Bučar; Leonard R. MacGillivray","Onion-Shell Metal-Organic Polyhedra (MOPs): A General Approach to Decorate the Exteriors of MOPs using Principles of Supramolecular Chemistry","Journal of the American Chemical Society","2008","130","","14366","14367","10.1021/ja804863u","","","0.7107","MoKα","","0.1589","0.1181","","","0.2549","0.2769","","","","","","1.12","","4108627","","has coordinates,has disorder","215354","2020-10-21","18:00:00",""
"4108593","23.8971","0.0006","23.8971","0.0006","50.1378","0.0012","90","","90","","120","","24796.3","1.1","110.1","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C386 H348 Br6 N18 O22 -","- C385.982 H287.982 Br5.994 N18 O21.996 -","- C1157.95 H863.946 Br17.982 N54 O65.988 -","3","0.166667","","Shuichi Hiraoka; Koji Harano; Motoo Shiro; Mitsuhiko Shionoya","A Self-Assembled Organic Capsule Formed from the Union of Six Hexagram-Shaped Amphiphile Molecules","Journal of the American Chemical Society","2008","130","","14368","14369","10.1021/ja804885k","","","1.54187","CuKα","","","0.1545","","","","0.4376","","","","","","1.484","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108594","20.04","0.0009","21.658","0.0011","21.7027","0.001","70.59","0.003","85.2","0.003","64.466","0.003","7996.8","0.7","93.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C392 H318 N34 -","- C392 H318 N34 -","- C392 H318 N34 -","1","0.5","","Shuichi Hiraoka; Koji Harano; Motoo Shiro; Mitsuhiko Shionoya","A Self-Assembled Organic Capsule Formed from the Union of Six Hexagram-Shaped Amphiphile Molecules","Journal of the American Chemical Society","2008","130","","14368","14369","10.1021/ja804885k","","","1.54187","CuKα","","","0.1452","","","","0.4273","","","","","","1.538","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108595","8.9038","0.0004","15.536","0.0005","16.043","0.0007","76.0841","0.0019","88.684","0.002","75.237","0.002","2081.24","0.15","93.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C57 H41 N3 O -","- C57 H39 N3 O -","- C114 H78 N6 O2 -","2","1","","Shuichi Hiraoka; Koji Harano; Motoo Shiro; Mitsuhiko Shionoya","A Self-Assembled Organic Capsule Formed from the Union of Six Hexagram-Shaped Amphiphile Molecules","Journal of the American Chemical Society","2008","130","","14368","14369","10.1021/ja804885k","","","1.54187","CuKα","","","0.0591","","","","0.1926","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108596","8.354","0.0013","29.211","0.004","6.2171","0.0009","90","","110.621","0.003","90","","1419.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Co N O7 P2 -","- C10 H17 Co N O7 P2 -","- C40 H68 Co4 N4 O28 P8 -","4","1","","Andrei V. Palii; Oleg S. Reu; Sergei M. Ostrovsky; Sophia I. Klokishner; Boris S. Tsukerblat; Zhong-Ming Sun; Jiang-Gao Mao; Andrey V. Prosvirin; Han-Hua Zhao; Kim R. Dunbar","A Highly Anisotropic Cobalt(II)-Based Single-Chain Magnet: Exploration of Spin Canting in an Antiferromagnetic Array","Journal of the American Chemical Society","2008","130","","14729","14738","10.1021/ja8050052","","","0.71073","MoKα","","0.1381","0.0699","","","0.1073","0.132","","","","","","1.06","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108597","16.1583","0.0011","16.1583","0.0011","4.3026","0.0006","90","","90","","90","","1123.37","0.19","100","2","100","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C8 H7 Cl N3 S2 Se2 -","- C8 H7 Cl N3 S2 Se2 -","- C32 H28 Cl4 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley","Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme","Journal of the American Chemical Society","2008","130","","14791","14801","10.1021/ja8054436","","","","MoKα","","0.0268","0.0245","","","0.0529","0.0537","","","","","","1.071","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108598","16.2209","0.0008","16.2209","0.0008","4.3831","0.0004","90","","90","","90","","1153.27","0.13","296","2","296","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C8 H7 Cl N3 S2 Se2 -","- C8 H7 Cl N3 S2 Se2 -","- C32 H28 Cl4 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley","Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme","Journal of the American Chemical Society","2008","130","","14791","14801","10.1021/ja8054436","","","0.71073","MoKα","","0.025","0.023","","","0.0482","0.0488","","","","","","1.096","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108599","16.2389","0.0005","16.2389","0.0005","4.2776","0.0003","90","","90","","90","","1128.01","0.09","100","2","100","2","","","","","","","","7","P -4 21 m","P -4 2ab","113","","","","- C7 H2 Cl F3 N3 S2 Se2 -","- C7 H2 Cl F3 N3 S2 Se2 -","- C28 H8 Cl4 F12 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley","Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme","Journal of the American Chemical Society","2008","130","","14791","14801","10.1021/ja8054436","","","0.71073","MoKα","","0.0142","0.0134","","","0.0351","0.0353","","","","","","1.098","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108600","16.2612","0.0008","16.2612","0.0008","4.3882","0.0004","90","","90","","90","","1160.36","0.13","296","2","296","2","","","","","","","","7","P -4 21 m","P -4 2ab","113","ClBPTSFEt","","","- C7 H2 Cl F3 N3 S2 Se2 -","- C7 H2 Cl F3 N3 S2 Se2 -","- C28 H8 Cl4 F12 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley","Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme","Journal of the American Chemical Society","2008","130","","14791","14801","10.1021/ja8054436","","","0.71073","MoKα","","0.0246","0.0234","","","0.0609","0.0613","","","","","","1.087","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108601","16.0276","0.0012","16.0276","0.0012","4.083","0.0007","90","","90","","90","","1048.9","0.2","100","2","100","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C8 H8 N3 S2 Se2 -","- C8 H8 N3 S2 Se2 -","- C32 H32 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley","Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme","Journal of the American Chemical Society","2008","130","","14791","14801","10.1021/ja8054436","","","0.71073","MoKα","","0.035","0.0328","","","0.0662","0.0672","","","","","","1.005","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108602","16.0088","0.0017","16.0088","0.0017","4.1385","0.0009","90","","90","","90","","1060.6","0.3","296","2","296","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","MeBPTSEt","","","- C8 H8 N3 S2 Se2 -","- C8 H8 N3 S2 Se2 -","- C32 H32 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley","Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme","Journal of the American Chemical Society","2008","130","","14791","14801","10.1021/ja8054436","","","0.71073","MoKα","","0.038","0.0337","","","0.0793","0.0815","","","","","","1.084","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108603","16.0499","0.0007","16.0499","0.0007","4.0684","0.0003","90","","90","","90","","1048.02","0.1","100","2","100","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C7 H5 Br N3 S2 Se2 -","- C7 H5 Br N3 S2 Se2 -","- C28 H20 Br4 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley","Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme","Journal of the American Chemical Society","2008","130","","14791","14801","10.1021/ja8054436","","","0.71073","MoKα","","0.0289","0.0273","","","0.0654","0.0662","","","","","","1.08","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108604","16.0885","0.0007","16.0885","0.0007","4.1339","0.0003","90","","90","","90","","1070.02","0.1","296","2","296","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","BrBPTSEt","","","- C7 H5 Br N3 S2 Se2 -","- C7 H5 Br N3 S2 Se2 -","- C28 H20 Br4 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley","Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme","Journal of the American Chemical Society","2008","130","","14791","14801","10.1021/ja8054436","","","0.71073","MoKα","","0.0195","0.0173","","","0.0402","0.041","","","","","","1.077","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108605","5.30465","0.0001","10.7432","0.0002","32.9748","0.0007","90","","90","","90","","1879.2","0.06","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Cl N2 O3 -","- C20 H21 Cl N2 O3 -","- C80 H84 Cl4 N8 O12 -","4","1","","Takuya Hashimoto; Nanase Uchiyama; Keiji Maruoka","Trans-Selective Asymmetric Aziridination of Diazoacetamides and N-Boc Imines Catalyzed by Axially Chiral Dicarboxylic Acid","Journal of the American Chemical Society","2008","130","","14380","14381","10.1021/ja805635c","","","1.54187","CuKα","","","0.0312","","","","0.1028","","","","","","0.851","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108606","20.6439","0.0005","22.0806","0.0005","36.0579","0.0008","96.8","","90.34","","114.67","","14803.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Palladium Carbonyl Phosphine cluster","","","- C302 H302 O29 P12 Pd37.05 -","- C302 H302 O29 P12 Pd37.05 -","- C604 H604 O58 P24 Pd74.1 -","2","1","","Evgueni G. Mednikov; Lawrence F. Dahl","Nanosized Pd37(CO)28{P(p-Tolyl)3}12 Containing Geometrically Unprecedented Central 23-Atom Interpenetrating Tri-icosahedral Palladium Kernel of Double Icosahedral Units: Its Postulated Metal-Core Evolution and Resulting Stereochemical Implications","Journal of the American Chemical Society","2008","130","","14813","14821","10.1021/ja805679j","","","0.71073","MoKα","","0.0652","0.0444","","","0.112","0.1289","","","","","","0.917","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108607","8.431","0.003","11.804","0.004","29.338","0.01","90","","90","","90","","2919.7","1.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 F6 N4 O2 -","- C32 H28 F6 N4 O2 -","- C128 H112 F24 N16 O8 -","4","1","","Jeremiah P. Malerich; Koji Hagihara; Viresh H. Rawal","Chiral Squaramide Derivatives are Excellent Hydrogen Bond Donor Catalysts","Journal of the American Chemical Society","2008","130","","14416","14417","10.1021/ja805693p","","","0.71073","MoKα","","0.0644","0.0539","","","0.1273","0.132","","","","","","1.022","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108608","15.1203","0.0006","18.3992","0.0006","19.3287","0.0008","90","","90","","90","","5377.3","0.4","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H58 Ir N O6 P2 -","- C54 H40 Ir N O4 P2 -","- C216 H160 Ir4 N4 O16 P8 -","4","1","","In Su Kim; Ming-Yu Ngai; Michael J. Krische","Enantioselective Iridium-Catalyzed Carbonyl Allylation from the Alcohol or Aldehyde Oxidation Level via Transfer Hydrogenative Coupling of Allyl Acetate: Departure from Chirally Modified Allyl Metal Reagents in Carbonyl Addition","Journal of the American Chemical Society","2008","130","","14891","14899","10.1021/ja805722e","","","0.7107","MoKα","","0.0896","0.0662","","","0.1576","0.1677","","","","","","1.111","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108609","10.2363","0.0002","11.5311","0.0003","9.2845","0.0002","90","","97.78","0.002","90","","1085.82","0.04","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 F6 N2 O4 -","- C26 H14 F6 N2 O4 -","- C52 H28 F12 N4 O8 -","2","0.5","","Qingdong Zheng; Jia Huang; Amy Sarjeant; Howard E. Katz","Pyromellitic Diimides: Minimal Cores for High Mobility n-Channel Transistor Semiconductors","Journal of the American Chemical Society","2008","130","","14410","14411","10.1021/ja805746h","","","0.71073","MoKα","","0.075","0.0406","","","0.085","0.0935","","","","","","1.029","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108610","19.851","0.006","19.851","","8.639","0.003","90","","90","","90","","3404.3","1.6","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C24 H60 Li4 N8 -","- C24 H60 Li4 N8 -","- C96 H240 Li16 N32 -","4","0.25","","Viktoria H. Gessner; Carsten Strohmann","Lithiation of TMEDA and its Higher Homologous TEEDA: Understanding Observed α- and β-Deprotonation","Journal of the American Chemical Society","2008","130","","14412","14413","10.1021/ja8058205","","","0.71073","MoKα","","0.0614","0.0496","","","0.1155","0.1237","","","","","","1.088","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108611","9.0546","0.0018","14.205","0.003","17.048","0.004","107.979","0.005","97.871","0.005","102.869","0.006","1982.6","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H76 Li4 N8 -","- C32 H76 Li4 N8 -","- C64 H152 Li8 N16 -","2","1","","Viktoria H. Gessner; Carsten Strohmann","Lithiation of TMEDA and its Higher Homologous TEEDA: Understanding Observed α- and β-Deprotonation","Journal of the American Chemical Society","2008","130","","14412","14413","10.1021/ja8058205","","","0.71073","MoKα","","0.1042","0.0698","","","0.1719","0.1903","","","","","","1.032","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108612","8.3693","0.0004","8.3693","0.0004","28.955","0.003","90","","90","","90","","2028.2","0.3","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C104 H96 N8 O8 -","4","0.5","","Kiran Kumar Solingapuram Sai; Matthew J. Tokarz; Andrew P. Malunchuk; Chong Zheng; Thomas M. Gilbert; Douglas A. Klumpp","N-Heterocyclic Superelectrophiles and Evidence for Single Electron Transfer Chemistry","Journal of the American Chemical Society","2008","130","","14388","14389","10.1021/ja8062953","","","0.71073","MoKα","","0.0344","0.0323","","","0.0762","0.0771","","","","","","1.182","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108613","19.8377","0.0016","6.0562","0.0006","6.057","0.0005","90","","90","","90","","727.69","0.11","150","2","","","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- Ag2 Ba2 O2 Se2 Zn0.953 -","- Ag2 Ba2 O2 Se2 Zn0.952 -","- Ag8 Ba8 O8 Se8 Zn3.808 -","4","","","Sebastian J. C. Herkelrath; Ian Saratovsky; Joke Hadermann; Simon J. Clarke","Fragmentation of an Infinite ZnO2 Square Plane into Discrete [ZnO2]2- Linear Units in the Oxyselenide Ba2ZnO2Ag2Se2","Journal of the American Chemical Society","2008","130","","14426","14427","10.1021/ja8063414","","x-ray","0.71073","MoKα","","","0.0273","","","","0.065","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108614","4.2849","0.0004","4.2849","0.0004","19.8793","0.0019","90","","90","","90","","364.99","0.06","150","2","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Ag2 Ba2 O2 Se2 Zn0.955 -","- Ag2 Ba2 O2 Se2 Zn0.957 -","- Ag4 Ba4 O4 Se4 Zn1.914 -","2","0.0625","","Sebastian J. C. Herkelrath; Ian Saratovsky; Joke Hadermann; Simon J. Clarke","Fragmentation of an Infinite ZnO2 Square Plane into Discrete [ZnO2]2- Linear Units in the Oxyselenide Ba2ZnO2Ag2Se2","Journal of the American Chemical Society","2008","130","","14426","14427","10.1021/ja8063414","","x-ray","0.71073","MoKα","","","0.0233","","","","0.0403","","","","","","1.095","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108615","20.339","0.0008","14.6476","0.0007","16.2867","0.0007","90","","97.636","0.003","90","","4809.1","0.4","93.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 N2 O4 P -","- C24 H24 N2 O4 P -","- C192 H192 N16 O32 P8 -","8","1","","Ryo Yazaki; Tatsuya Nitabaru; Naoya Kumagai; Masakatsu Shibasaki","Direct Catalytic Asymmetric Addition of Allylic Cyanides to Ketoimines","Journal of the American Chemical Society","2008","130","","14477","14479","10.1021/ja806572b","","","1.54187","CuKα","","","0.0662","","","","0.2095","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108616","12.9714","0.0001","20.0178","0.0002","26.8437","0.0002","90","","93.4556","0","90","","6957.53","0.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H78 B2 F24 N P2 Rh -","- C59 H78 B2 F24 N P2 Rh -","- C236 H312 B8 F96 N4 P8 Rh4 -","4","1","","Thomas M. Douglas; Adrian B. Chaplin; Andrew S. Weller","Amine-Borane σ-Complexes of Rhodium. Relevance to the Catalytic Dehydrogenation of Amine-Boranes","Journal of the American Chemical Society","2008","130","","14432","14433","10.1021/ja806582n","","","0.71073","MoKα","","0.0655","0.0542","","","0.1387","0.1484","","","","","","1.02","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108617","21.0042","0.0003","18.2723","0.0003","37.9197","0.0007","90","","102.29","0.0006","90","","14219.9","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H78 B2 F24 N P2 Rh -","- C58 H78 B2 F24 N P2 Rh -","- C464 H624 B16 F192 N8 P16 Rh8 -","8","1","","Thomas M. Douglas; Adrian B. Chaplin; Andrew S. Weller","Amine-Borane σ-Complexes of Rhodium. Relevance to the Catalytic Dehydrogenation of Amine-Boranes","Journal of the American Chemical Society","2008","130","","14432","14433","10.1021/ja806582n","","","0.71073","MoKα","","0.161","0.0862","","","0.1909","0.2212","","","","","","1.038","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108618","14.2225","0.0002","50.9939","0.0007","19.584","0.0003","90","","91.5253","0.0007","90","","14198.5","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H82 B3 F24 N2 P2 Rh -","- C60 H82 B3 F24 N2 P2 Rh -","- C480 H656 B24 F192 N16 P16 Rh8 -","8","2","","Thomas M. Douglas; Adrian B. Chaplin; Andrew S. Weller","Amine-Borane σ-Complexes of Rhodium. Relevance to the Catalytic Dehydrogenation of Amine-Boranes","Journal of the American Chemical Society","2008","130","","14432","14433","10.1021/ja806582n","","","0.71073","MoKα","","0.1179","0.0685","","","0.1284","0.1528","","","","","","1.093","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108619","11.1076","0.0007","14.3788","0.001","26.76","0.002","105.153","0.006","93.63","0.007","94.286","0.006","4098.5","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.5 H59 F6 Fe N4 O4.5 P -","- C37.5 H59 F6.019 Fe N4 O4.5 P -","- C150 H236 F24.076 Fe4 N16 O18 P4 -","4","2","","Claudio Gandolfi; Christian Moitzi; Peter Schurtenberger; Grace G. Morgan; Martin Albrecht","Improved Cooperativity of Spin-Labile Iron(III) Centers by Self-Assembly in Solution","Journal of the American Chemical Society","2008","130","","14434","14435","10.1021/ja806611y","","","0.71073","MoKα","","0.1113","0.059","","","0.1315","0.1487","","","","","","0.921","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108620","7.4389","0.0003","30.738","0.0012","15.2729","0.0006","90","","91.338","0.001","90","","3491.3","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35.28 H47.28 N P2 Sc -","- C35.266 H47.266 N P2 Sc -","- C141.064 H189.064 N4 P8 Sc4 -","4","0.5","","Jennifer Scott; Hongjun Fan; Benjamin F. Wicker; Alison R. Fout; Mu-Hyun Baik; Daniel J. Mindiola","Lewis Acid Stabilized Methylidene and Oxoscandium Complexes","Journal of the American Chemical Society","2008","130","","14438","14439","10.1021/ja806635x","","","0.71073","MoKα","","0.0521","0.0416","","","0.1216","0.1288","","","","","","1.068","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108621","14.7065","0.0005","20.5075","0.0007","14.8336","0.0005","90","","103.317","0.001","90","","4353.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H74 Al2 N P2 Sc -","- C39 H74 Al2 N P2 Sc -","- C156 H296 Al8 N4 P8 Sc4 -","4","1","","Jennifer Scott; Hongjun Fan; Benjamin F. Wicker; Alison R. Fout; Mu-Hyun Baik; Daniel J. Mindiola","Lewis Acid Stabilized Methylidene and Oxoscandium Complexes","Journal of the American Chemical Society","2008","130","","14438","14439","10.1021/ja806635x","","","0.71073","MoKα","","0.0409","0.0322","","","0.09","0.0946","","","","","","1.036","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108622","18.848","0.003","11.3543","0.0018","22.607","0.003","90","","95.725","0.004","90","","4813.9","1.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H76 N3 P2 Sc -","- C50 H76 N3 P2 Sc -","- C200 H304 N12 P8 Sc4 -","4","1","","Jennifer Scott; Hongjun Fan; Benjamin F. Wicker; Alison R. Fout; Mu-Hyun Baik; Daniel J. Mindiola","Lewis Acid Stabilized Methylidene and Oxoscandium Complexes","Journal of the American Chemical Society","2008","130","","14438","14439","10.1021/ja806635x","","","0.71073","MoKα","","0.1245","0.0589","","","0.1293","0.1576","","","","","","1.012","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108623","10.822","0.004","14.58","0.005","17.981","0.007","96.519","0.006","104.568","0.005","106.793","0.005","2575.2","1.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C99 H156 Al4 N2 O2 P4 Sc2 -","- C99 H156 Al4 N2 O2 P4 Sc2 -","- C99 H156 Al4 N2 O2 P4 Sc2 -","1","0.5","","Jennifer Scott; Hongjun Fan; Benjamin F. Wicker; Alison R. Fout; Mu-Hyun Baik; Daniel J. Mindiola","Lewis Acid Stabilized Methylidene and Oxoscandium Complexes","Journal of the American Chemical Society","2008","130","","14438","14439","10.1021/ja806635x","","","0.71073","MoKα","","0.0995","0.0635","","","0.1627","0.1847","","","","","","1.028","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108624","18.266","0.005","20.589","0.005","21.014","0.005","63.743","0.005","83.532","0.005","88.224","0.005","7041","3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C142 H152 Cl8 N11 Ni2 Pt -","- C142 H152 Cl8 N11 Ni2 Pt -","- C284 H304 Cl16 N22 Ni4 Pt2 -","2","1","","Shigeru Yamaguchi; Taisuke Katoh; Hiroshi Shinokubo; Atsuhiro Osuka","Pt(II)- and Pt(IV)-Bridged Cofacial Diporphyrins via Carbon-Transition Metal σ-Bonds","Journal of the American Chemical Society","2008","130","","14440","14441","10.1021/ja8066385","","","0.71069","MoKα","","0.0671","0.0537","","","0.1441","0.1537","","","","","","1.043","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108625","13.5747","0.0015","30.56","0.003","33.71","0.004","90","","90","","90","","13984","3","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C158 H167 Cl6 N10 Ni2 Pt -","- C158 H167 Cl6 N10 Ni2 Pt -","- C632 H668 Cl24 N40 Ni8 Pt4 -","4","1","","Shigeru Yamaguchi; Taisuke Katoh; Hiroshi Shinokubo; Atsuhiro Osuka","Pt(II)- and Pt(IV)-Bridged Cofacial Diporphyrins via Carbon-Transition Metal σ-Bonds","Journal of the American Chemical Society","2008","130","","14440","14441","10.1021/ja8066385","","","0.71073","MoKα","","0.0429","0.0356","","","0.0846","0.0917","","","","","","1.009","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108626","35.482","0.005","27.205","0.005","17.098","0.005","90","0.005","111.967","0.005","90","0.005","15306","6","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C166 H184 N12 Ni2 Pt -","- C166 H184 N12 Ni2 Pt -","- C664 H736 N48 Ni8 Pt4 -","4","0.5","","Shigeru Yamaguchi; Taisuke Katoh; Hiroshi Shinokubo; Atsuhiro Osuka","Pt(II)- and Pt(IV)-Bridged Cofacial Diporphyrins via Carbon-Transition Metal σ-Bonds","Journal of the American Chemical Society","2008","130","","14440","14441","10.1021/ja8066385","","","0.71069","MoKα","","0.0484","0.0405","","","0.1144","0.1197","","","","","","1.111","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108627","32.104","0.005","32.104","0.005","46.061","0.009","90","","90","","120","","41113","12","173","2","173","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","4","","","- C238 H273 Cl6 Cu6 N35 O54.5 S6 -","- C237.99 H272.94 Cl5.995 Cu6 N34.995 O53.97 S6 -","- C1427.94 H1637.64 Cl35.97 Cu36 N209.97 O323.82 S36 -","6","0.333333","","Tamara D. Hamilton; Giannis S. Papaefstathiou; Tomislav Friščić; Dejan-Krešimir Bučar; Leonard R. MacGillivray","Onion-Shell Metal-Organic Polyhedra (MOPs): A General Approach to Decorate the Exteriors of MOPs using Principles of Supramolecular Chemistry","Journal of the American Chemical Society","2008","130","","14366","14367","10.1021/ja804863u","","","0.7107","MoKα","","0.1328","0.0854","","","0.2184","0.26","","","","","","1.042","","","","has coordinates,has disorder","215354","2020-10-21","18:00:00",""
"4108628","20.846","0.003","20.846","0.003","50.333","0.01","90","","90","","120","","18942","5","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C164 H152 Cu6 F36 N24 O44 S12 -","- C163.94 H151.68 Cu6 F35.04 N24 O42.96 S12.02 -","- C491.82 H455.04 Cu18 F105.12 N72 O128.88 S36.06 -","3","0.166667","","Tamara D. Hamilton; Giannis S. Papaefstathiou; Tomislav Friščić; Dejan-Krešimir Bučar; Leonard R. MacGillivray","Onion-Shell Metal-Organic Polyhedra (MOPs): A General Approach to Decorate the Exteriors of MOPs using Principles of Supramolecular Chemistry","Journal of the American Chemical Society","2008","130","","14366","14367","10.1021/ja804863u","","","0.7107","MoKα","","0.1355","0.1181","","","0.3458","0.36","","","","","","1.204","","","","has coordinates,has disorder","215354","2020-10-21","18:00:00",""
"4108629","17.879","0.005","12.945","0.005","31.057","0.005","90","0.005","90","0.005","90","0.005","7188","4","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C34 H55 N3 Ni O S3 -","- C34 H55 N3 Ni O S3 -","- C272 H440 N24 Ni8 O8 S24 -","8","2","","Andrew G. Tennyson; Shanta Dhar; Stephen J. Lippard","Synthesis and Characterization of {Ni(NO)}10 and {Co(NO)2}10 Complexes Supported by Thiolate Ligands","Journal of the American Chemical Society","2008","130","","15087","15098","10.1021/ja803992y","","","0.71073","MoKα","","0.0841","0.0775","","","0.1686","0.1717","","","","","","1.23","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108630","11.428","0.005","12.295","0.005","16.705","0.007","90","","106.599","0.006","90","","2249.4","1.6","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H60 N5 Ni2 O2 S4 -","- C42 H60 N5 Ni2 O2 S4 -","- C84 H120 N10 Ni4 O4 S8 -","2","0.5","","Andrew G. Tennyson; Shanta Dhar; Stephen J. Lippard","Synthesis and Characterization of {Ni(NO)}10 and {Co(NO)2}10 Complexes Supported by Thiolate Ligands","Journal of the American Chemical Society","2008","130","","15087","15098","10.1021/ja803992y","","","0.71073","MoKα","","0.0685","0.0516","","","0.0965","0.1022","","","","","","1.169","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108631","13.4199","0.0017","16.051","0.002","11.0093","0.0014","90","","108.937","0.002","90","","2243.1","0.5","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Co N3 O2 S2 -","- C20 H30 Co N3 O2 S2 -","- C80 H120 Co4 N12 O8 S8 -","4","1","","Andrew G. Tennyson; Shanta Dhar; Stephen J. Lippard","Synthesis and Characterization of {Ni(NO)}10 and {Co(NO)2}10 Complexes Supported by Thiolate Ligands","Journal of the American Chemical Society","2008","130","","15087","15098","10.1021/ja803992y","","","0.71073","MoKα","","0.0787","0.0511","","","0.1004","0.1104","","","","","","1.08","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108632","17.05","0.003","9.0194","0.0015","32.227","0.006","90","","90","","90","","4955.9","1.5","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Co3 N6 O6 S3 -","- C18 H15 Co3 N6 O6 S3 -","- C144 H120 Co24 N48 O48 S24 -","8","1","","Andrew G. Tennyson; Shanta Dhar; Stephen J. Lippard","Synthesis and Characterization of {Ni(NO)}10 and {Co(NO)2}10 Complexes Supported by Thiolate Ligands","Journal of the American Chemical Society","2008","130","","15087","15098","10.1021/ja803992y","","","0.71073","MoKα","","0.0685","0.0437","","","0.0908","0.0995","","","","","","1.052","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108633","8.784","0.0004","14.031","0.0004","22.2306","0.0009","90","","90","","90","","2739.88","0.18","150","","150","","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C14 H16 O6 -","- C14 H16 O6 -","- C112 H128 O48 -","8","1","","Manon Chaumontet; Riccardo Piccardi; Nicolas Audic; Julien Hitce; Jean-Louis Peglion; Eric Clot; Olivier Baudoin","Synthesis of Benzocyclobutenes by Palladium-Catalyzed C-H Activation of Methyl Groups: Method and Mechanistic Study","Journal of the American Chemical Society","2008","130","","15157","15166","10.1021/ja805598s","","","0.71069","MoKα","","0.0948","0.0509","","0.0986","0.0587","0.0587","","","","","","1.1357","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108634","9.8274","0.0012","10.3168","0.0012","17.424","0.002","82.862","0.009","77.587","0.008","75.293","0.008","1664.2","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H22 N6 -","- C28 H22 N6 -","- C84 H66 N18 -","3","1.5","","Ian S. Tidmarsh; Thomas B. Faust; Harry Adams; Lindsay P. Harding; Luca Russo; William Clegg; Michael D. Ward","Octanuclear Cubic Coordination Cages","Journal of the American Chemical Society","2008","130","","15167","15175","10.1021/ja805605y","","","0.71073","MoKα","","0.2374","0.0513","","","0.1016","0.1643","","","","","","0.771","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108635","10.7709","0.0015","11.1673","0.0018","19.954","0.004","90","","90","","90","","2400.1","0.7","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N6 -","- C32 H24 N6 -","- C128 H96 N24 -","4","0.5","","Ian S. Tidmarsh; Thomas B. Faust; Harry Adams; Lindsay P. Harding; Luca Russo; William Clegg; Michael D. Ward","Octanuclear Cubic Coordination Cages","Journal of the American Chemical Society","2008","130","","15167","15175","10.1021/ja805605y","","","0.71073","MoKα","","0.0502","0.0324","","","0.0704","0.0779","","","","","","1.026","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108636","26.5388","0.0014","26.5941","0.0013","30.384","0.002","99.664","0.003","113.727","0.003","110.117","0.002","17224.3","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C403 H343 B16 F64 N87 O31 Zn8 -","- C403 H343 B9 F36 N87 O31 Zn8 -","- C403 H343 B9 F36 N87 O31 Zn8 -","1","0.5","","Ian S. Tidmarsh; Thomas B. Faust; Harry Adams; Lindsay P. Harding; Luca Russo; William Clegg; Michael D. Ward","Octanuclear Cubic Coordination Cages","Journal of the American Chemical Society","2008","130","","15167","15175","10.1021/ja805605y","","","0.71073","MoKα","","0.1469","0.1056","","","0.2885","0.3114","","","","","","0.988","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108637","44.45","0.02","30.288","0.015","31.745","0.016","90","","124.28","0.006","90","","35314","3","120","2","120","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C394 H318 B16 Cu8 F64 N82 O20 -","- C394 H318 B4 Cu8 F16 N82 O20 -","- C788 H636 B8 Cu16 F32 N164 O40 -","2","0.25","","Ian S. Tidmarsh; Thomas B. Faust; Harry Adams; Lindsay P. Harding; Luca Russo; William Clegg; Michael D. Ward","Octanuclear Cubic Coordination Cages","Journal of the American Chemical Society","2008","130","","15167","15175","10.1021/ja805605y","","","0.6926","synchrotron","","0.1564","0.1097","","","0.2931","0.3137","","","","","","0.918","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108638","32.9366","0.0013","29.9278","0.0012","39.8346","0.0015","90","","96.502","0.002","90","","39013","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C342 H288 B16 Co8 F64 N72 O6 -","- C342 H282 B10 Co8 F40 N72 O6 -","- C1368 H1128 B40 Co32 F160 N288 O24 -","4","0.5","","Ian S. Tidmarsh; Thomas B. Faust; Harry Adams; Lindsay P. Harding; Luca Russo; William Clegg; Michael D. Ward","Octanuclear Cubic Coordination Cages","Journal of the American Chemical Society","2008","130","","15167","15175","10.1021/ja805605y","","","0.71073","MoKα","","0.1127","0.0733","","","0.1968","0.2146","","","","","","1.012","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108639","33.0351","0.0015","29.5646","0.0014","39.8684","0.0018","90","","97.011","0.002","90","","38647","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C341 H284 B16 F64 N72 Ni8 O5 -","- C341 H279 B12 F48 N72 Ni8 O5 -","- C1364 H1116 B48 F192 N288 Ni32 O20 -","4","0.5","","Ian S. Tidmarsh; Thomas B. Faust; Harry Adams; Lindsay P. Harding; Luca Russo; William Clegg; Michael D. Ward","Octanuclear Cubic Coordination Cages","Journal of the American Chemical Society","2008","130","","15167","15175","10.1021/ja805605y","","","0.71073","MoKα","","0.1025","0.0853","","","0.2575","0.2716","","","","","","1.119","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108640","9.3839","0.0006","17.3423","0.0011","10.0786","0.0006","90","","93.516","0.001","90","","1637.09","0.18","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H22 Cu2 F8 N4 O2 -","- C38 H22 Cu2 F8 N4 O2 -","- C76 H44 Cu4 F16 N8 O4 -","2","0.5","","Hien-Quang Do; Rana M. Kashif Khan; Olafs Daugulis","A General Method for Copper-Catalyzed Arylation of Arene C-H Bonds","Journal of the American Chemical Society","2008","130","","15185","15192","10.1021/ja805688p","","","0.71073","MoKα","","0.04","0.0282","","","0.076","0.0834","","","","","","0.996","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108641","9.6991","0.0001","15.7821","0.0002","24.6302","0.0002","88.4421","0.0007","84.1063","0.0006","76.9381","0.0006","3653.21","0.07","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H30 F6 Ir N4 P S -","- C42 H30 F6 Ir N4 P S -","- C168 H120 F24 Ir4 N16 P4 S4 -","4","2","","Stefan Graber; Kevin Doyle; Markus Neuburger; Catherine E. Housecroft; Edwin C. Constable; Rubén D. Costa; Enrique Ortí; Diego Repetto; Henk J. Bolink","A Supramolecularly-Caged Ionic Iridium(III) Complex Yielding Bright and Very Stable Solid-State Light-Emitting Electrochemical Cells","Journal of the American Chemical Society","2008","130","","14944","14945","10.1021/ja805900e","","","0.71073","MoKα","","0.0425","0.025","","0.0464","0.0277","0.0277","","","","","","1.0934","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108642","7.5475","0.0015","18.249","0.004","8.2324","0.0016","90","","102.21","0.03","90","","1108.2","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 Cl2 N2 O6 -","- C20 H26 Cl2 N2 O6 -","- C40 H52 Cl4 N4 O12 -","2","1","","K. C. Nicolaou; Stephen M. Dalby; Utpal Majumder","A Concise Asymmetric Total Synthesis of Aspidophytine","Journal of the American Chemical Society","2008","130","","14942","14943","10.1021/ja806176w","","","0.71073","MoKα","","0.0597","0.0498","","","0.1291","0.1367","","","","","","1.057","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108643","8.924","0.0002","36.684","0.0011","11.411","0.0003","90","","112.71","0.0015","90","","3445.98","0.16","110","2","110","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C42 H55 Co2 Cr2 F K N O40 -","- C42 H55 Co2 Cr2 F K N O40 -","- C84 H110 Co4 Cr4 F2 K2 N2 O80 -","2","0.5","","Eugenio Coronado; José R. Galán-Mascarós; Carlos Martí-Gastaldo","Single Chain Magnets Based on the Oxalate Ligand","Journal of the American Chemical Society","2008","130","","14987","14989","10.1021/ja806298t","","","0.71073","MoKα","","0.1154","0.0665","","","0.158","0.1756","","","","","","0.895","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108644","28.5869","0.0006","7.9194","0.0002","15.1338","0.0003","90","","112.617","0.001","90","","3162.67","0.12","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Cl6 N4 Ta2 -","- C28 H32 Cl6 N4 Ta2 -","- C112 H128 Cl24 N16 Ta8 -","4","0.5","","Seth B. Herzon; John F. Hartwig","Hydroaminoalkylation of Unactivated Olefins with Dialkylamines","Journal of the American Chemical Society","2008","130","","14940","14941","10.1021/ja806367e","","","0.71073","MoKα","","0.0247","0.019","","","0.0352","0.0366","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108645","6.8727","0.0019","11.358","0.003","21.931","0.006","90","","96.067","0.004","90","","1702.3","0.8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 Cl4 N O Ta -","- C11 H18 Cl4 N O Ta -","- C44 H72 Cl16 N4 O4 Ta4 -","4","1","","Seth B. Herzon; John F. Hartwig","Hydroaminoalkylation of Unactivated Olefins with Dialkylamines","Journal of the American Chemical Society","2008","130","","14940","14941","10.1021/ja806367e","","","0.71073","MoKα","","0.0518","0.0266","","","0.0492","0.0528","","","","","","0.897","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108646","42.907","0.0014","13.2352","0.0006","36.6384","0.0016","90","","93.304","0.004","90","","20771.7","1.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- H94 K24 O225 P4 W52 -","- K14.8 O207.4 P4 W52 -","- K59.2 O829.6 P16 W208 -","4","0.5","","Chullikkattil P. Pradeep; De-Liang Long; Carsten Streb; Leroy Cronin","""Bottom-Up"" Meets ""Top-Down"" Assembly in Nanoscale Polyoxometalate Clusters: Self-Assembly of [P4W52O178]24- and Disassembly to [P3W39O134]19-","Journal of the American Chemical Society","2008","130","","14946","14947","10.1021/ja806596j","","","0.71073","MoKα","","0.1021","0.064","","","0.172","0.1863","","","","","","1.061","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108647","18.8407","0.0005","19.7247","0.0007","29.5038","0.0008","76.332","0.002","88.495","0.002","65.954","0.003","9699","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- H96 K20 O200 P4 W44 -","- K20 O196.9 P4 W44 -","- K40 O393.8 P8 W88 -","2","1","","Chullikkattil P. Pradeep; De-Liang Long; Carsten Streb; Leroy Cronin","""Bottom-Up"" Meets ""Top-Down"" Assembly in Nanoscale Polyoxometalate Clusters: Self-Assembly of [P4W52O178]24- and Disassembly to [P3W39O134]19-","Journal of the American Chemical Society","2008","130","","14946","14947","10.1021/ja806596j","","","0.71073","MoKα","","0.054","0.0347","","","0.0827","0.0874","","","","","","0.94","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108648","20.5411","0.0009","21.1805","0.0011","22.446","0.0007","69.588","0.004","79.143","0.003","67.42","0.004","8434.1","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- H60 K19 O164 P3 W39 -","- K18.5 O161.3 P3 W39 -","- K37 O322.6 P6 W78 -","2","1","","Chullikkattil P. Pradeep; De-Liang Long; Carsten Streb; Leroy Cronin","""Bottom-Up"" Meets ""Top-Down"" Assembly in Nanoscale Polyoxometalate Clusters: Self-Assembly of [P4W52O178]24- and Disassembly to [P3W39O134]19-","Journal of the American Chemical Society","2008","130","","14946","14947","10.1021/ja806596j","","","0.71073","MoKα","","0.083","0.0443","","","0.0913","0.0992","","","","","","0.907","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108649","26.0197","0.0004","34.9666","0.0007","44.9034","0.001","90","","90","","90","","40854","1.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H60 K19 O164 P3 W39 -","- K18.75 O162.5 P3 W39 -","- K150 O1300 P24 W312 -","8","1","","Chullikkattil P. Pradeep; De-Liang Long; Carsten Streb; Leroy Cronin","""Bottom-Up"" Meets ""Top-Down"" Assembly in Nanoscale Polyoxometalate Clusters: Self-Assembly of [P4W52O178]24- and Disassembly to [P3W39O134]19-","Journal of the American Chemical Society","2008","130","","14946","14947","10.1021/ja806596j","","","0.71073","MoKα","","0.1346","0.0705","","","0.1307","0.145","","","","","","1.002","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108650","19.3532","0.0011","7.5226","0.0005","23.5522","0.0014","90","","90","","90","","3428.9","0.4","200.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-Oxo-1-hydro-2-tert-butylbenzo[bc]corannulene","","- C27 H18 O -","- C27 H18 O -","- C216 H144 O8 -","8","1","","Shinsuke Nishida; Yasushi Morita; Akira Ueda; Tadahiro Kobayashi; Kozo Fukui; Kanako Ogasawara; Kazunobu Sato; Takeji Takui; Kazuhiro Nakasuji","Curve-Structured Phenalenyl Chemistry: Synthesis, Electronic Structure, and Bowl-Inversion Barrier of a Phenalenyl-Fused Corannulene Anion","Journal of the American Chemical Society","2008","130","","14954","14955","10.1021/ja806708j","","","0.71075","MoKα","","","0.1265","","","","0.2123","","","","","","1.112","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108651","14.2388","0.0007","14.312","0.0006","18.3101","0.001","90","","105.74","0.006","90","","3591.4","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H23 B F20 Si2 -","- C36 H23 B F20 Si2 -","- C144 H92 B4 F80 Si8 -","4","1","","Andrea Klaer; Wolfgang Saak; Detlev Haase; Thomas Müller","Molecular Structure of a Cyclopropyl Substituted Vinyl Cation","Journal of the American Chemical Society","2008","130","","14956","14957","10.1021/ja8069055","","","0.71073","MoKα","","0.0668","0.0284","","","0.0454","0.0492","","","","","","0.704","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108652","7.9537","0.0014","9.9845","0.0017","12.839","0.002","90","","90","","90","","1019.6","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Cl N O -","- C12 H10 Cl N O -","- C48 H40 Cl4 N4 O4 -","4","1","","Barry M. Trost; Patrick J. McDougall; Olaf Hartmann; Peter T. Wathen","Asymmetric Synthesis of Bicyclo[4.3.1]decadienes and Bicyclo[3.3.2]decadienes via [6 + 3] Trimethylenemethane Cycloaddition with Tropones","Journal of the American Chemical Society","2008","130","","14960","14961","10.1021/ja806979b","","","0.71073","MoKα","","0.0255","0.0244","","","0.0635","0.0643","","","","","","1.034","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108653","10.917","0.0016","10.9711","0.0016","12.649","0.0019","96.687","0.002","112.794","0.002","108.936","0.002","1269.1","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H72 N4 P2 -","- C54 H72 N4 P2 -","- C54 H72 N4 P2 -","1","0.5","","Yuzhong Wang; Yaoming Xie; Pingrong Wei; R. Bruce King; Henry F. Schaefer, III; Paul v. R. Schleyer; Gregory H. Robinson","Carbene-Stabilized Diphosphorus","Journal of the American Chemical Society","2008","130","","14970","14971","10.1021/ja807828t","","","0.71073","MoKα","","0.0848","0.0492","","","0.1194","0.14","","","","","","1.009","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108654","28.49","0.002","17","0.0013","20.129","0.003","90","","127.102","0.001","90","","7775.5","1.4","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 N4 P2 -","- C42 H48 N4 P2 -","- C336 H384 N32 P16 -","8","1","","Yuzhong Wang; Yaoming Xie; Pingrong Wei; R. Bruce King; Henry F. Schaefer, III; Paul v. R. Schleyer; Gregory H. Robinson","Carbene-Stabilized Diphosphorus","Journal of the American Chemical Society","2008","130","","14970","14971","10.1021/ja807828t","","","0.71073","MoKα","","0.0871","0.0522","","","0.1403","0.1758","","","","","","1.051","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108655","48.488","0.007","48.488","","33.48","0.007","90","","90","","90","","78714","2","213","2","213","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C528 H468 Cu8 N64 O32 -","- C528 H468 Cu8 N64 O32 -","- C2112 H1872 Cu32 N256 O128 -","4","0.25","","Jin'an Zhao; Liwei Mi; Jiyong Hu; Hongwei Hou; Yaoting Fan","Cation Exchange Induced Tunable Properties of a Nanoporous Octanuclear Cu(II) Wheel with Double-Helical Structure","Journal of the American Chemical Society","2008","130","","15222","15223","10.1021/ja8007227","","","0.71073","MoKα","","0.1794","0.1009","","","0.2289","0.2711","","","","","","1.278","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108656","13.8439","0.0009","13.2905","0.0009","16.2607","0.0013","90","","99.711","0.004","90","","2949","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 N5 O2 S -","- C34 H31 N5 O2 S -","- C136 H124 N20 O8 S4 -","4","1","","Jin'an Zhao; Liwei Mi; Jiyong Hu; Hongwei Hou; Yaoting Fan","Cation Exchange Induced Tunable Properties of a Nanoporous Octanuclear Cu(II) Wheel with Double-Helical Structure","Journal of the American Chemical Society","2008","130","","15222","15223","10.1021/ja8007227","","","0.7107","MoKα","","0.0778","0.0568","","","0.1448","0.1578","","","","","","1.121","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108657","6.1043","0.0012","10.424","0.002","10.53","0.002","81.52","0.03","75.98","0.03","81.64","0.03","638.8","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H20 O -","- C14 H20 O -","- C28 H40 O2 -","2","1","","Jin'an Zhao; Liwei Mi; Jiyong Hu; Hongwei Hou; Yaoting Fan","Cation Exchange Induced Tunable Properties of a Nanoporous Octanuclear Cu(II) Wheel with Double-Helical Structure","Journal of the American Chemical Society","2008","130","","15222","15223","10.1021/ja8007227","","","0.71073","MoKα","","0.1087","0.0838","","","0.1881","0.2051","","","","","","1.128","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108658","10.6964","0.0009","13.432","0.001","18.7082","0.0015","78.173","0.009","86.379","0.01","82.788","0.009","2608.1","0.4","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H52 B F4 Fe N4 O3 -","- C56 H52 B F4 Fe N4 O3 -","- C112 H104 B2 F8 Fe2 N8 O6 -","2","1","","V. K. K. Praneeth; Florian Paulat; Timothy C. Berto; Serena DeBeer George; Christian Näther; Corinne D. Sulok; Nicolai Lehnert","Electronic Structure of Six-Coordinate Iron(III)-Porphyrin NO Adducts: The Elusive Iron(III)-NO(radical) State and Its Influence on the Properties of These Complexes","Journal of the American Chemical Society","2008","130","","15288","15303","10.1021/ja801860u","","","0.71073","MoKα","","0.0716","0.0475","","","0.121","0.131","","","","","","0.939","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108659","22.778","0.0008","22.778","","13.855","0.0003","90","","90","","90","","7188.5","0.3","153","2","153","2","","","","","","","synthesis as described","4","P 42/n :2","-P 4bc","86","","C60CH2SiMe2OiPrH","","- C66 H16 O Si -","- C66 H16 O Si -","- C528 H128 O8 Si8 -","8","1","","Yutaka Matsuo; Akihiko Iwashita; Yoko Abe; Chang-Zhi Li; Keiko Matsuo; Masahiko Hashiguchi; Eiichi Nakamura","Regioselective Synthesis of 1,4-Di(organo)[60]fullerenes through DMF-assisted Monoaddition of Silylmethyl Grignard Reagents and Subsequent Alkylation Reaction","Journal of the American Chemical Society","2008","130","","15429","15436","10.1021/ja8041299","","x-ray","0.71073","MoKα","","0.0858","0.0794","","","0.2253","0.2319","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108660","10.256","0.0006","19.238","0.001","19.982","0.0014","90","","98.016","0.004","90","","3904","0.4","153","2","153","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","C60CH2SiMe32","","- C68 H22 Si2 -","- C68 H22 Si2 -","- C272 H88 Si8 -","4","1","","Yutaka Matsuo; Akihiko Iwashita; Yoko Abe; Chang-Zhi Li; Keiko Matsuo; Masahiko Hashiguchi; Eiichi Nakamura","Regioselective Synthesis of 1,4-Di(organo)[60]fullerenes through DMF-assisted Monoaddition of Silylmethyl Grignard Reagents and Subsequent Alkylation Reaction","Journal of the American Chemical Society","2008","130","","15429","15436","10.1021/ja8041299","","x-ray","0.71073","MoKα","","0.164","0.1366","","","0.3346","0.386","","","","","","1.533","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108661","10.3602","0.0002","19.0203","0.0004","22.665","0.0004","90","","97.137","0.001","90","","4431.63","0.15","123","2","123","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","C60CH2SiMe2Ph2","","- C78 H26 Si2 -","- C80.7 H26 Si2 -","- C322.8 H104 Si8 -","4","1","","Yutaka Matsuo; Akihiko Iwashita; Yoko Abe; Chang-Zhi Li; Keiko Matsuo; Masahiko Hashiguchi; Eiichi Nakamura","Regioselective Synthesis of 1,4-Di(organo)[60]fullerenes through DMF-assisted Monoaddition of Silylmethyl Grignard Reagents and Subsequent Alkylation Reaction","Journal of the American Chemical Society","2008","130","","15429","15436","10.1021/ja8041299","","x-ray","1.54173","CuKα","","0.168","0.0989","","","0.2388","0.3024","","","","","","0.986","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108662","37.646","0.006","9.8921","0.0016","22.981","0.004","90","","106.073","0.002","90","","8224","2","173","2","173","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C37 H54 Cl2 Cu F6 N2 O2 Sb -","- C37 H54 Cl2 Cu F6 N2 O2 Sb -","- C296 H432 Cl16 Cu8 F48 N16 O16 Sb8 -","8","2","","Tim Storr; Pratik Verma; Russell C. Pratt; Erik C. Wasinger; Yuichi Shimazaki; T. Daniel P. Stack","Defining the Electronic and Geometric Structure of One-Electron Oxidized Copper-Bis-phenoxide Complexes","Journal of the American Chemical Society","2008","130","","15448","15459","10.1021/ja804339m","","","0.71073","MoKα","","0.0603","0.0556","","","0.1394","0.1423","","","","","","1.05","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108663","12.268","0.003","27.661","0.006","14.155","0.003","90","","93.29","0.02","90","","4795.5","1.9","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C49 H38 B Cl2 Cu F4 Fe O2 P2 -","- C49 H38 B Cl2 Cu F4 Fe O2 P2 -","- C196 H152 B4 Cl8 Cu4 F16 Fe4 O8 P8 -","4","1","","Sayak Roy; Biprajit Sarkar; Denis Bubrin; Mark Niemeyer; Stanislav Záliš; Goutam Kumar Lahiri; Wolfgang Kaim","Stabilizing the Elusive ortho-Quinone/Copper(I) Oxidation State Combination through π/π Interaction in an Isolated Complex","Journal of the American Chemical Society","2008","130","","15230","15231","10.1021/ja804429v","","","0.71073","MoKα","","0.2309","0.082","","","0.1922","0.2481","","","","","","0.763","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108664","15.9928","0.0011","10.8838","0.0008","16.4567","0.0011","90","","100.38","0.001","90","","2817.6","0.3","115","2","115","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H43 F6 N P2 Pt -","- C24 H43 F6 N P2 Pt -","- C96 H172 F24 N4 P8 Pt4 -","4","1","","Ainara Nova; Stefan Erhardt; Naseralla A. Jasim; Robin N. Perutz; Stuart A. Macgregor; John E. McGrady; Adrian C. Whitwood","Competing C-F Activation Pathways in the Reaction of Pt(0) with Fluoropyridines: Phosphine-Assistance versus Oxidative Addition","Journal of the American Chemical Society","2008","130","","15499","15511","10.1021/ja8046238","","","0.71073","MoKα","","0.0374","0.0272","","","0.061","0.0644","","","","","","1.034","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108665","10.5548","0.0006","19.6695","0.001","17.3098","0.0009","90","","100.816","0.001","90","","3529.8","0.3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H55 F6 N P2 Pt -","- C36 H55 F6 N P2 Pt -","- C144 H220 F24 N4 P8 Pt4 -","4","1","","Ainara Nova; Stefan Erhardt; Naseralla A. Jasim; Robin N. Perutz; Stuart A. Macgregor; John E. McGrady; Adrian C. Whitwood","Competing C-F Activation Pathways in the Reaction of Pt(0) with Fluoropyridines: Phosphine-Assistance versus Oxidative Addition","Journal of the American Chemical Society","2008","130","","15499","15511","10.1021/ja8046238","","","0.71073","MoKα","","0.0374","0.0285","","","0.0673","0.0711","","","","","","1.035","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108666","11.9912","0.0002","18.4427","0.0002","22.0438","0.0002","113.445","0.001","105.634","0.001","90.072","0.001","4274.46","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H67 F6 N P2 Pt -","- C42 H67 F6 N P2 Pt -","- C168 H268 F24 N4 P8 Pt4 -","4","2","","Ainara Nova; Stefan Erhardt; Naseralla A. Jasim; Robin N. Perutz; Stuart A. Macgregor; John E. McGrady; Adrian C. Whitwood","Competing C-F Activation Pathways in the Reaction of Pt(0) with Fluoropyridines: Phosphine-Assistance versus Oxidative Addition","Journal of the American Chemical Society","2008","130","","15499","15511","10.1021/ja8046238","","","0.71073","MoKα","","0.0418","0.0352","","","0.0749","0.0778","","","","","","1.094","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108667","10.6459","0.0004","10.6459","0.0004","10.6459","0.0004","90","","90","","90","","1206.56","0.08","150","2","150","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C16.86 H32 Cr2.81 Fe4 K0.45 N16.86 O16 -","- C16.8 Cr2.8 Fe4 K0.48 N16.8 O15.84 -","- C16.8 Cr2.8 Fe4 K0.48 N16.8 O15.84 -","1","0.00520833","","Eugenio Coronado; Mari Carmen Giménez-López; Tomasz Korzeniak; Georgiy Levchenko; Francisco M. Romero; Alfredo Segura; Valentín García-Baonza; Julio C. Cezar; Frank M. F. de Groot; Alla Milner; Moshe Paz-Pasternak","Pressure-Induced Magnetic Switching and Linkage Isomerism in K0.4Fe4[Cr(CN)6]2.8.16H2O: X-ray Absorption and Magnetic Circular Dichroism Studies","Journal of the American Chemical Society","2008","130","","15519","15532","10.1021/ja8047046","","","0.71073","MoKα","","0.0628","0.0499","","","0.1154","0.1211","","","","","","1.326","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108668","10.672","0.0002","10.672","0.0002","10.672","0.0002","90","","90","","90","","1215.45","0.04","293","2","293","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C16.86 H32 Cr2.81 Fe4 K0.45 N16.86 O16 -","- C16.8 Cr2.8 Fe4 K0.48 N8.4 O24.48 -","- C16.8 Cr2.8 Fe4 K0.48 N8.4 O24.48 -","1","0.00520833","","Eugenio Coronado; Mari Carmen Giménez-López; Tomasz Korzeniak; Georgiy Levchenko; Francisco M. Romero; Alfredo Segura; Valentín García-Baonza; Julio C. Cezar; Frank M. F. de Groot; Alla Milner; Moshe Paz-Pasternak","Pressure-Induced Magnetic Switching and Linkage Isomerism in K0.4Fe4[Cr(CN)6]2.8.16H2O: X-ray Absorption and Magnetic Circular Dichroism Studies","Journal of the American Chemical Society","2008","130","","15519","15532","10.1021/ja8047046","","","0.71073","MoKα","","0.0391","0.0367","","","0.088","0.0965","","","","","","0.856","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108669","10.4665","0.0009","10.7259","0.001","13.7218","0.0012","83.402","0.005","76.404","0.005","86.855","0.005","1486.7","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H39 Cl3 Fe3 S3 -","- C23 H39 Cl3 Fe3 S3 -","- C46 H78 Cl6 Fe6 S6 -","2","1","","Yanhui Chen; Yuhan Zhou; Pingping Chen; Yinsong Tao; Yang Li; Jingping Qu","Nitrogenase Model Complexes [Cp*Fe(μ-SR1)2(μ-η2-R2N=NH)FeCp*] (R1= Me, Et; R2= Me, Ph; Cp* = η5-C5Me5): Synthesis, Structure, and Catalytic N-N Bond Cleavage of Hydrazines on Diiron Centers","Journal of the American Chemical Society","2008","130","","15250","15251","10.1021/ja805025w","","","0.71073","MoKα","","0.092","0.0594","","","0.1558","0.1747","","","","","","1.072","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108670","11.1612","0.0002","16.6493","0.0002","16.8125","0.0003","90","","106.806","0.001","90","","2990.77","0.09","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Fe2 N2 S2 -","- C30 H46 Fe2 N2 S2 -","- C120 H184 Fe8 N8 S8 -","4","1","","Yanhui Chen; Yuhan Zhou; Pingping Chen; Yinsong Tao; Yang Li; Jingping Qu","Nitrogenase Model Complexes [Cp*Fe(μ-SR1)2(μ-η2-R2N=NH)FeCp*] (R1= Me, Et; R2= Me, Ph; Cp* = η5-C5Me5): Synthesis, Structure, and Catalytic N-N Bond Cleavage of Hydrazines on Diiron Centers","Journal of the American Chemical Society","2008","130","","15250","15251","10.1021/ja805025w","","","0.71073","MoKα","","0.0302","0.0262","","","0.0711","0.073","","","","","","1.055","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108671","9.9455","0.0005","15.1956","0.0008","18.9528","0.001","90","","104.19","0.003","90","","2776.9","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Fe2 N2 S2 -","- C28 H42 Fe2 N2 S2 -","- C112 H168 Fe8 N8 S8 -","4","1","","Yanhui Chen; Yuhan Zhou; Pingping Chen; Yinsong Tao; Yang Li; Jingping Qu","Nitrogenase Model Complexes [Cp*Fe(μ-SR1)2(μ-η2-R2N=NH)FeCp*] (R1= Me, Et; R2= Me, Ph; Cp* = η5-C5Me5): Synthesis, Structure, and Catalytic N-N Bond Cleavage of Hydrazines on Diiron Centers","Journal of the American Chemical Society","2008","130","","15250","15251","10.1021/ja805025w","","","0.71073","MoKα","","0.0456","0.0357","","","0.0987","0.1045","","","","","","1.024","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108672","8.6825","0.0002","20.3381","0.0004","8.7589","0.0002","90","","119.489","0.001","90","","1346.32","0.05","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C25 H44 Fe2 N2 S2 -","- C25 H42 Fe2 N2 S2 -","- C50 H84 Fe4 N4 S4 -","2","0.5","","Yanhui Chen; Yuhan Zhou; Pingping Chen; Yinsong Tao; Yang Li; Jingping Qu","Nitrogenase Model Complexes [Cp*Fe(μ-SR1)2(μ-η2-R2N=NH)FeCp*] (R1= Me, Et; R2= Me, Ph; Cp* = η5-C5Me5): Synthesis, Structure, and Catalytic N-N Bond Cleavage of Hydrazines on Diiron Centers","Journal of the American Chemical Society","2008","130","","15250","15251","10.1021/ja805025w","","","0.71073","MoKα","","0.0777","0.0731","","","0.1756","0.178","","","","","","1.01","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108673","9.0325","0.0003","13.7934","0.0004","18.6445","0.0006","78.138","0.001","85.117","0.001","72.306","0.001","2165.11","0.12","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H28 N4 -","- C24 H28 N4 -","- C96 H112 N16 -","4","2","","Tamotsu Takahashi; Zhiyi Song; Yi-Fang Hsieh; Kiyohiko Nakajima; Ken-ichiro Kanno","Once Cleaved C-C Bond Was Reformed: Reversible C-C Bond Cleavage of Dihydroindenyltitanium Complexes","Journal of the American Chemical Society","2008","130","","15236","15237","10.1021/ja805352z","","","0.71075","MoKα","","0.1101","0.071","","","0.163","0.1823","","","","","","1.053","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108674","9.5395","0.0004","9.9792","0.0005","14.5343","0.0007","71.5127","0.0014","69.8988","0.0012","58.3482","0.0012","1089.76","0.09","298.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H27 Cl N4 -","- C24 H27 Cl N4 -","- C48 H54 Cl2 N8 -","2","1","","Tamotsu Takahashi; Zhiyi Song; Yi-Fang Hsieh; Kiyohiko Nakajima; Ken-ichiro Kanno","Once Cleaved C-C Bond Was Reformed: Reversible C-C Bond Cleavage of Dihydroindenyltitanium Complexes","Journal of the American Chemical Society","2008","130","","15236","15237","10.1021/ja805352z","","","0.71075","MoKα","","","0.0532","","","","0.0644","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108675","11.5517","0.0001","11.5517","0.0001","17.5999","0.0004","90","","90","","90","","2348.56","0.06","273","2","273","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C4 Cu8 Ge5 N8 S16 -","- C4 Cu8 Ge5 N8 S16 -","- C8 Cu16 Ge10 N16 S32 -","2","0.125","","Zhenyu Zhang; Jian Zhang; Tao Wu; Xianhui Bu; Pingyun Feng","Three-Dimensional Open Framework Built from Cu-S Icosahedral Clusters and Its Photocatalytic Property","Journal of the American Chemical Society","2008","130","","15238","15239","10.1021/ja805449p","","","0.71073","MoKα","","0.0496","0.0428","","","0.1484","0.1532","","","","","","1.094","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108676","11.4478","0.0004","26.0793","0.0007","26.0691","0.001","90","","100.872","0.004","90","","7643.2","0.5","","","100","","","","","","","","","2","P 1 n 1","P -2yac","7","alpha-Cd4Sb3","","","- Cd13 Sb10 -","- Cd156 Sb120 -","- Cd156 Sb120 -","1","0.5","","Andreas Tengå; Sven Lidin; Jean-Philippe Belieres; N. Newman; Yang Wu; Ulrich Häussermann","Metastable Cd4Sb3: A Complex Structured Intermetallic Compound with Semiconductor Properties","Journal of the American Chemical Society","2008","130","","15564","15572","10.1021/ja805454p","","","0.71069","MoKα","","0.1734","0.0607","","","0.1367","0.1773","","","","1.82","1.82","1.21","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108677","11.4975","0.0005","26.1262","0.001","26.1218","0.001","90","","100.777","0.004","90","","7708.2","0.5","","","295","","","","","","","","","2","P 1 n 1","P -2yac","7","alpha-Cd4Sb3","","","- Cd13 Sb10 -","- Cd150.474 Sb120 -","- Cd150.474 Sb120 -","1","0.5","","Andreas Tengå; Sven Lidin; Jean-Philippe Belieres; N. Newman; Yang Wu; Ulrich Häussermann","Metastable Cd4Sb3: A Complex Structured Intermetallic Compound with Semiconductor Properties","Journal of the American Chemical Society","2008","130","","15564","15572","10.1021/ja805454p","","","0.71073","MoKα","","0.2112","0.0608","","","0.141","0.1856","","","","2","2","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108678","8.979","0.003","30.661","0.01","10.361","0.003","90","","103.129","0.005","90","","2777.9","1.5","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Et4N[Fe(S-p-tolyl)2(NO)2]","","","- C24 H38 Fe N3 O2.5 S2 -","- C24 H38 Fe N3 O2.5 S2 -","- C96 H152 Fe4 N12 O10 S8 -","4","1","","Todd C. Harrop; Zachary J. Tonzetich; Erwin Reisner; Stephen J. Lippard","Reactions of Synthetic [2Fe-2S] and [4Fe-4S] Clusters with Nitric Oxide and Nitrosothiols","Journal of the American Chemical Society","2008","130","","15602","15610","10.1021/ja8054996","","","0.71073","MoKα","","0.0404","0.0355","","","0.0795","0.0818","","","","","","1.137","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108679","12.6235","0.0003","12.6966","0.0004","12.712","0.0003","80.922","0.002","86.846","0.002","69.299","0.001","1882.01","0.09","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 O P2 Pt -","- C46 H42 O P2 Pt -","- C92 H84 O2 P4 Pt2 -","2","1","","Erik J. Alexanian; John F. Hartwig","Mechanistic Study of β-Hydrogen Elimination from Organoplatinum(II) Enolate Complexes","Journal of the American Chemical Society","2008","130","","15627","15635","10.1021/ja8056908","","","0.71073","MoKα","","0.0584","0.0461","","","0.1162","0.1227","","","","","","1.121","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108680","9.6285","0.0003","12.3192","0.0004","10.2589","0.0004","90","","108.67","0.0016","90","","1152.83","0.07","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bis(permethylpentalene)dinickel(II)","","- C28 H36 Ni2 -","- C28 H36 Ni2 -","- C56 H72 Ni4 -","2","0.5","","Andrew E. Ashley; Robert T. Cooper; Gregory G. Wildgoose; Jennifer C. Green; Dermot O'Hare","Homoleptic Permethylpentalene Complexes: ""Double Metallocenes"" of the First-Row Transition Metals","Journal of the American Chemical Society","2008","130","","15662","15677","10.1021/ja8057138","","","0.71073","MoKα","","0.0554","0.0346","","0.0769","0.0665","0.0638","","","","","","0.9948","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108681","9.5132","0.0002","12.6438","0.0003","10.295","0.0003","90","","107.995","0.001","90","","1177.74","0.05","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bis(permethylpentalene)divanadium(II)","","- C28 H36 V2 -","- C28 H36 V2 -","- C56 H72 V4 -","2","0.5","","Andrew E. Ashley; Robert T. Cooper; Gregory G. Wildgoose; Jennifer C. Green; Dermot O'Hare","Homoleptic Permethylpentalene Complexes: ""Double Metallocenes"" of the First-Row Transition Metals","Journal of the American Chemical Society","2008","130","","15662","15677","10.1021/ja8057138","","","0.71073","MoKα","","0.037","0.0299","","0.0708","0.0678","0.0666","","","","","","1.0191","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108682","9.633","0.0002","12.2559","0.0003","10.2796","0.0003","90","","108.013","0.0015","90","","1154.14","0.05","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bis(permethylpentalene)dichromium(II)","","- C28 H36 Cr2 -","- C28 H36 Cr2 -","- C56 H72 Cr4 -","2","0.5","","Andrew E. Ashley; Robert T. Cooper; Gregory G. Wildgoose; Jennifer C. Green; Dermot O'Hare","Homoleptic Permethylpentalene Complexes: ""Double Metallocenes"" of the First-Row Transition Metals","Journal of the American Chemical Society","2008","130","","15662","15677","10.1021/ja8057138","","","0.71073","MoKα","","0.0514","0.0353","","0.0814","0.0757","0.0732","","","","","","1.0106","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108683","9.6431","0.0003","12.3057","0.0003","10.2368","0.0003","90","","108.242","0.0018","90","","1153.7","0.06","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bis(permethylpentalene)dimanganese(II)","","- C28 H36 Mn2 -","- C28 H36 Mn2 -","- C56 H72 Mn4 -","2","0.5","","Andrew E. Ashley; Robert T. Cooper; Gregory G. Wildgoose; Jennifer C. Green; Dermot O'Hare","Homoleptic Permethylpentalene Complexes: ""Double Metallocenes"" of the First-Row Transition Metals","Journal of the American Chemical Society","2008","130","","15662","15677","10.1021/ja8057138","","","0.71073","MoKα","","0.0356","0.0293","","0.0694","0.0663","0.0648","","","","","","1.0089","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108684","9.5576","0.0001","12.4752","0.0002","10.144","0.0002","90","","110.348","0.001","90","","1134.02","0.03","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bis(permethylpentalene)dicobalt(II)","","- C28 H36 Co2 -","- C28 H36 Co2 -","- C56 H72 Co4 -","2","0.5","","Andrew E. Ashley; Robert T. Cooper; Gregory G. Wildgoose; Jennifer C. Green; Dermot O'Hare","Homoleptic Permethylpentalene Complexes: ""Double Metallocenes"" of the First-Row Transition Metals","Journal of the American Chemical Society","2008","130","","15662","15677","10.1021/ja8057138","","","0.71073","MoKα","","0.0284","0.0245","","0.0614","0.0603","0.0614","","","","","","0.9695","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108685","8.761","0.005","27.114","0.017","17.578","0.011","90","","96.807","0.011","90","","4146","4","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 F6 O6 P4 S2 -","- C40 H36 F6 O6 P4 S2 -","- C160 H144 F24 O24 P16 S8 -","4","1","","Yuen-ying Carpenter; C. Adam Dyker; Neil Burford; Michael D. Lumsden; Andreas Decken","2,3-Diphosphino-1,4-diphosphonium Ions","Journal of the American Chemical Society","2008","130","","15732","15741","10.1021/ja805911a","","x-ray","0.71073","MoKα","","0.1051","0.046","","","0.0963","0.107","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108686","12.431","0.002","13.52","0.003","13.883","0.003","90","","94.872","0.003","90","","2324.8","0.8","198","1","198","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 F6 O6 P4 S2 -","- C10 H24 F6 O6 P4 S2 -","- C40 H96 F24 O24 P16 S8 -","4","1","","Yuen-ying Carpenter; C. Adam Dyker; Neil Burford; Michael D. Lumsden; Andreas Decken","2,3-Diphosphino-1,4-diphosphonium Ions","Journal of the American Chemical Society","2008","130","","15732","15741","10.1021/ja805911a","","x-ray","0.71073","MoKα","","0.0548","0.0375","","","0.0951","0.1009","","","","","","0.97","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108687","15.5968","0.0016","14.5043","0.0016","19.895","0.002","90","","102.483","0.002","90","","4394.3","0.8","173","1","173","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 F6 O6 P4 S2 -","- C42 H40 F6 O6 P4 S2 -","- C168 H160 F24 O24 P16 S8 -","4","0.5","","Yuen-ying Carpenter; C. Adam Dyker; Neil Burford; Michael D. Lumsden; Andreas Decken","2,3-Diphosphino-1,4-diphosphonium Ions","Journal of the American Chemical Society","2008","130","","15732","15741","10.1021/ja805911a","","x-ray","0.71073","MoKα","","0.0618","0.0461","","","0.1108","0.1282","","","","","","1.069","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108688","8.3728","0.001","11.0797","0.0013","12.4662","0.0015","83.415","0.001","72.798","0.002","85.04","0.002","1095.8","0.2","198","1","198","1","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 Cl F3 O3 P2 S -","- C20 H18 Cl F3 O3 P2 S -","- C40 H36 Cl2 F6 O6 P4 S2 -","2","1","","Yuen-ying Carpenter; C. Adam Dyker; Neil Burford; Michael D. Lumsden; Andreas Decken","2,3-Diphosphino-1,4-diphosphonium Ions","Journal of the American Chemical Society","2008","130","","15732","15741","10.1021/ja805911a","","x-ray","0.71073","MoKα","","0.048","0.0347","","","0.0854","0.0972","","","","","","1.065","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108689","6.891","0.0004","16.614","0.0012","24.756","0.0017","90","","95.8","0.004","90","","2819.7","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 B N2 O3 -","- C26 H47 B N2 O3 -","- C104 H188 B4 N8 O12 -","4","1","","Takuji Hatakeyama; Masaharu Nakamura; Eiichi Nakamura","Diastereoselective Addition of Zincated Hydrazones to Alkenylboronates and Stereospecific Trapping of Boron/Zinc Bimetallic Intermediates by Carbon Electrophiles","Journal of the American Chemical Society","2008","130","","15688","15701","10.1021/ja806258v","","x-ray","0.71073","MoKα","","0.0939","0.0762","","","0.2186","0.2461","","","","","","1.052","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108690","7.969","0.0003","16.396","0.0013","20.776","0.0017","90","","90","","90","","2714.6","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H45 B N2 O3 -","- C24 H45 B N2 O3 -","- C96 H180 B4 N8 O12 -","4","1","","Takuji Hatakeyama; Masaharu Nakamura; Eiichi Nakamura","Diastereoselective Addition of Zincated Hydrazones to Alkenylboronates and Stereospecific Trapping of Boron/Zinc Bimetallic Intermediates by Carbon Electrophiles","Journal of the American Chemical Society","2008","130","","15688","15701","10.1021/ja806258v","","x-ray","0.71073","MoKα","","0.0693","0.058","","","0.1626","0.1785","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108691","9.744","0.001","12.409","0.0008","15.523","0.0015","91.937","0.005","105.989","0.004","107.197","0.005","1710","0.3","153","2","153","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C40 H44 O4 -","- C40 H44 O4 -","- C80 H88 O8 -","2","1","","Takuji Hatakeyama; Masaharu Nakamura; Eiichi Nakamura","Diastereoselective Addition of Zincated Hydrazones to Alkenylboronates and Stereospecific Trapping of Boron/Zinc Bimetallic Intermediates by Carbon Electrophiles","Journal of the American Chemical Society","2008","130","","15688","15701","10.1021/ja806258v","","x-ray","0.71073","MoKα","","0.1042","0.0864","","","0.2585","0.283","","","","","","1.083","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108692","9.725","0.005","10.608","0.005","11.225","0.005","79.6","0.005","67.79","0.005","71.001","0.005","1011.5","0.8","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C18 H35 B O3 -","- C18 H35 B O3 -","- C36 H70 B2 O6 -","2","1","","Takuji Hatakeyama; Masaharu Nakamura; Eiichi Nakamura","Diastereoselective Addition of Zincated Hydrazones to Alkenylboronates and Stereospecific Trapping of Boron/Zinc Bimetallic Intermediates by Carbon Electrophiles","Journal of the American Chemical Society","2008","130","","15688","15701","10.1021/ja806258v","","x-ray","0.71069","MoKα","","0.2049","0.1816","","","0.441","0.5057","","","","","","1.816","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108693","18.7599","0.0013","13.4186","0.0009","13.8694","0.0008","90","","90","","90","","3491.4","0.4","193","2","193","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- C56 Cl10 -","- C56 Cl10 -","- C224 Cl40 -","4","0.25","","Yuan-Zhi Tan; Xiao Han; Xin Wu; Ye-Yong Meng; Feng Zhu; Zhuo-Zhen Qian; Zhao-Jiang Liao; Ming-Hui Chen; Xin Lu; Su-Yuan Xie; Rong-Bin Huang; Lan-Sun Zheng","An Entrant of Smaller Fullerene: C56 Captured by Chlorines and Aligned in Linear Chains","Journal of the American Chemical Society","2008","130","","15240","15241","10.1021/ja806352v","","","0.71073","MoKα","","0.0742","0.0408","","","0.0819","0.0872","","","","","","0.892","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108694","12.8437","0.0003","19.8696","0.0005","16.4609","0.0004","90","","109.82","0.001","90","","3951.96","0.17","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H31 F3 O3 P2 Pd S Si -","- C44 H31 F3 O3 P2 Pd S Si -","- C176 H124 F12 O12 P8 Pd4 S4 Si4 -","4","1","","Jun Takaya; Nobuharu Iwasawa","Hydrocarboxylation of Allenes with CO2 Catalyzed by Silyl Pincer-Type Palladium Complex","Journal of the American Chemical Society","2008","130","","15254","15255","10.1021/ja806677w","","","0.71075","MoKα","","0.0452","0.0375","","","0.1496","0.1602","","","","","","1.388","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108695","25.121","0.004","10.4755","0.0015","18.364","0.003","90","","102.302","0.007","90","","4721.6","1.3","95","2","95","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H51 Cu N6 O4.5 S -","- C57 H51 Cu N6 O4.5 S -","- C228 H204 Cu4 N24 O18 S4 -","4","1","","Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski","Expansion by Contraction: Diversifying the Photochemical Reactivity Scope of Diazo-oxochlorins toward Development of in Situ Alkylating Agents","Journal of the American Chemical Society","2008","130","","15864","15871","10.1021/ja800094e","","","0.49595","synchrotron","","0.064","0.0512","","","0.1381","0.1569","","","","","","1.195","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108696","9.8552","0.0009","12.7732","0.0012","16.4636","0.0015","67.566","0.002","82.61","0.002","70.749","0.002","1808.5","0.3","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 Cu N4 O2 -","- C48 H36 Cu N4 O2 -","- C96 H72 Cu2 N8 O4 -","2","1","","Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski","Expansion by Contraction: Diversifying the Photochemical Reactivity Scope of Diazo-oxochlorins toward Development of in Situ Alkylating Agents","Journal of the American Chemical Society","2008","130","","15864","15871","10.1021/ja800094e","","","0.71073","MoKα","","0.0808","0.0496","","","0.1206","0.1349","","","","","","1.017","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108697","14.788","0.003","9.9818","0.0016","24.751","0.004","90","","92.106","0.006","90","","3651","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H36 Cu N4 O3 -","- C49 H36 Cu N4 O3 -","- C196 H144 Cu4 N16 O12 -","4","1","","Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski","Expansion by Contraction: Diversifying the Photochemical Reactivity Scope of Diazo-oxochlorins toward Development of in Situ Alkylating Agents","Journal of the American Chemical Society","2008","130","","15864","15871","10.1021/ja800094e","","","0.48595","synchrotron","","0.1108","0.0759","","","0.1767","0.1906","","","","","","1.121","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108698","13.552","0.003","18.959","0.005","14.881","0.003","90","","109.326","0.005","90","","3608","1.4","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47.43 H34.58 Cu N4 O1.86 -","- C47.432 H34.58 Cu N4 O1.858 -","- C189.728 H138.32 Cu4 N16 O7.432 -","4","1","","Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski","Expansion by Contraction: Diversifying the Photochemical Reactivity Scope of Diazo-oxochlorins toward Development of in Situ Alkylating Agents","Journal of the American Chemical Society","2008","130","","15864","15871","10.1021/ja800094e","","","0.71073","MoKα","","0.0951","0.0595","","","0.1475","0.166","","","","","","1.04","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108699","9.865","0.003","12.648","0.003","16.413","0.004","69.02","0.006","83.633","0.006","70.674","0.005","1804.3","0.8","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H38 N4 O2 -","- C48 H38 N4 O2 -","- C96 H76 N8 O4 -","2","1","","Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski","Expansion by Contraction: Diversifying the Photochemical Reactivity Scope of Diazo-oxochlorins toward Development of in Situ Alkylating Agents","Journal of the American Chemical Society","2008","130","","15864","15871","10.1021/ja800094e","","","0.71073","MoKα","","0.0826","0.0549","","","0.1387","0.1574","","","","","","0.992","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4108700","21.0884","0.0005","17.8198","0.0005","39.0041","0.001","90","","92.381","0.001","90","","14644.7","0.7","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C95.9 H71.71 Cl0.19 N8 O3.95 -","- C95.9039 H71.7118 Cl0.1918 N8 O3.952 -","- C767.231 H573.694 Cl1.5344 N64 O31.616 -","8","1","","Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski","Expansion by Contraction: Diversifying the Photochemical Reactivity Scope of Diazo-oxochlorins toward Development of in Situ Alkylating Agents","Journal of the American Chemical Society","2008","130","","15864","15871","10.1021/ja800094e","","","0.71073","MoKα","","0.0975","0.0579","","","0.1477","0.1795","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108701","13.3774","0.0003","24.1261","0.0005","34.2459","0.0007","90","","90","","90","","11052.7","0.4","153.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H140 Al2 N8 O47 Si W10 -","- C58 Al2 N8 O47 Si W10 -","- C232 Al8 N32 O188 Si4 W40 -","4","1","","Yuji Kikukawa; Syuhei Yamaguchi; Yoshinao Nakagawa; Kazuhiro Uehara; Sayaka Uchida; Kazuya Yamaguchi; Noritaka Mizuno","Synthesis of a Dialuminum-Substituted Silicotungstate and the Diastereoselective Cyclization of Citronellal Derivatives","Journal of the American Chemical Society","2008","130","","15872","15878","10.1021/ja8014154","","","0.71069","MoKα","","","0.0691","","","","0.2086","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108702","24.7994","0.0002","14.5822","0.0001","26.8752","0.0003","90","","90","","90","","9718.87","0.15","153.2","","","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C65 H129 Al2 N7 O38 Si W10 -","- C65 Al2 N7 O38 Si W10 -","- C260 Al8 N28 O152 Si4 W40 -","4","1","","Yuji Kikukawa; Syuhei Yamaguchi; Yoshinao Nakagawa; Kazuhiro Uehara; Sayaka Uchida; Kazuya Yamaguchi; Noritaka Mizuno","Synthesis of a Dialuminum-Substituted Silicotungstate and the Diastereoselective Cyclization of Citronellal Derivatives","Journal of the American Chemical Society","2008","130","","15872","15878","10.1021/ja8014154","","","0.71069","MoKα","","","0.0695","","","","0.1963","","","","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108703","27.83424","0.00011","27.83424","","6.242081","0.000026","90","","90","","120","","4188.12","0.02","","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C3 N Ni O6.94 P -","- C3 N Ni O6.9336 P -","- C54 N18 Ni18 O124.805 P18 -","18","1","","Stuart R. Miller; Gordon M. Pearce; Paul A. Wright; Francesca Bonino; Sachin Chavan; Silvia Bordiga; Irene Margiolaki; Nathalie Guillou; Gérard Férey; Sandrine Bourrelly; Philip L. Llewellyn","Structural Transformations and Adsorption of Fuel-Related Gases of a Structurally Responsive Nickel Phosphonate Metal-Organic Framework, Ni-STA-12","Journal of the American Chemical Society","2008","130","","15967","15981","10.1021/ja804936z","powder diffraction","x-ray","0.8002","synchrotron","","","","","","","","0.07533","","2.45","","","","","","","has coordinates,has Fobs","178833","2020-10-21","18:00:00",""
"4108704","27.91436","0.00012","27.91436","","6.165502","0.000021","90","","90","","120","","4160.59","0.02","","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C3 N Ni O4 P -","- C3 N Ni O4 P -","- C54 N18 Ni18 O72 P18 -","18","1","","Stuart R. Miller; Gordon M. Pearce; Paul A. Wright; Francesca Bonino; Sachin Chavan; Silvia Bordiga; Irene Margiolaki; Nathalie Guillou; Gérard Férey; Sandrine Bourrelly; Philip L. Llewellyn","Structural Transformations and Adsorption of Fuel-Related Gases of a Structurally Responsive Nickel Phosphonate Metal-Organic Framework, Ni-STA-12","Journal of the American Chemical Society","2008","130","","15967","15981","10.1021/ja804936z","powder diffraction","x-ray","0.8002","synchrotron","","","","","","","","0.064","","4.14","","","","","","","has coordinates,has Fobs","178833","2020-10-21","18:00:00",""
"4108705","6.03475","0.00005","14.91565","0.00022","16.15721","0.00021","112.572","0.0007","95.7025","0.0011","96.495","0.0011","1318.06","0.03","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C3 N Ni O3 P -","- C3 N Ni O3 P -","- C18 N6 Ni6 O18 P6 -","6","3","","Stuart R. Miller; Gordon M. Pearce; Paul A. Wright; Francesca Bonino; Sachin Chavan; Silvia Bordiga; Irene Margiolaki; Nathalie Guillou; Gérard Férey; Sandrine Bourrelly; Philip L. Llewellyn","Structural Transformations and Adsorption of Fuel-Related Gases of a Structurally Responsive Nickel Phosphonate Metal-Organic Framework, Ni-STA-12","Journal of the American Chemical Society","2008","130","","15967","15981","10.1021/ja804936z","powder diffraction","x-ray","0.8002","","","","","","","","","0.07196","","3.01","","","","","","","has coordinates,has Fobs","178833","2020-10-21","18:00:00",""
"4108706","10.3598","0.0002","22.2422","0.0003","10.8117","0.0002","90","","104.302","0.001","90","","2414.07","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H31 Cl F6 N3 Pd Sb -","- C20 H31 Cl F6 N3 Pd Sb -","- C80 H124 Cl4 F24 N12 Pd4 Sb4 -","4","2","","Raissa M. Trend; Brian M. Stoltz","Structural Features and Reactivity of (Sparteine)PdCl2: A Model for Selectivity in the Oxidative Kinetic Resolution of Secondary Alcohols","Journal of the American Chemical Society","2008","130","","15957","15966","10.1021/ja804955e","","","0.71073","MoKα","","0.0709","0.0503","","","0.0842","0.0864","","","","","","1.664","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108707","12.3773","0.0002","13.1425","0.0002","18.706","0.0003","90","","90","","90","","3042.88","0.08","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Cl F6 N3 Pd Sb -","- C29 H41 Cl F6 N3 Pd Sb -","- C116 H164 Cl4 F24 N12 Pd4 Sb4 -","4","1","","Raissa M. Trend; Brian M. Stoltz","Structural Features and Reactivity of (Sparteine)PdCl2: A Model for Selectivity in the Oxidative Kinetic Resolution of Secondary Alcohols","Journal of the American Chemical Society","2008","130","","15957","15966","10.1021/ja804955e","","","0.71073","MoKα","","0.045","0.0313","","","0.0489","0.0507","","","","","","1.165","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108708","9.75","0.0005","21.3471","0.001","13.1934","0.0006","90","","91.426","0.001","90","","2745.1","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H35 Cl F6 N3 Pd Sb -","- C25 H35 Cl F6 N3 Pd Sb -","- C100 H140 Cl4 F24 N12 Pd4 Sb4 -","4","2","","Raissa M. Trend; Brian M. Stoltz","Structural Features and Reactivity of (Sparteine)PdCl2: A Model for Selectivity in the Oxidative Kinetic Resolution of Secondary Alcohols","Journal of the American Chemical Society","2008","130","","15957","15966","10.1021/ja804955e","","","0.71073","MoKα","","0.0505","0.044","","","0.0763","0.0772","","","","","","2.14","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4108709","14.8633","0.0003","13.4427","0.0003","15.0189","0.0003","90","","98.541","0.001","90","","2967.54","0.11","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H36 Cl5 F3 N2 O Pd -","- C25 H36 Cl5 F3 N2 O Pd -","- C100 H144 Cl20 F12 N8 O4 Pd4 -","4","2","","Raissa M. Trend; Brian M. Stoltz","Structural Features and Reactivity of (Sparteine)PdCl2: A Model for Selectivity in the Oxidative Kinetic Resolution of Secondary Alcohols","Journal of the American Chemical Society","2008","130","","15957","15966","10.1021/ja804955e","","","0.71073","MoKα","","0.0826","0.0401","","","0.0608","0.0669","","","","","","0.987","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108710","9.2815","0.0003","11.4873","0.0004","15.1073","0.0005","90","","90","","90","","1610.73","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Cl2 N2 Pd -","- C15 H26 Cl2 N2 Pd -","- C60 H104 Cl8 N8 Pd4 -","4","1","","Raissa M. Trend; Brian M. Stoltz","Structural Features and Reactivity of (Sparteine)PdCl2: A Model for Selectivity in the Oxidative Kinetic Resolution of Secondary Alcohols","Journal of the American Chemical Society","2008","130","","15957","15966","10.1021/ja804955e","","","0.71073","MoKα","","0.0452","0.0317","","","0.0525","0.0542","","","","","","1.139","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108711","10.7694","0.0004","13.1518","0.0005","11.4564","0.0004","90","","105.682","0.001","90","","1562.25","0.1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H40 Cl2 F6 N2 O2 Pd -","- C32 H40 Cl2 F6 N2 O2 Pd -","- C64 H80 Cl4 F12 N4 O4 Pd2 -","2","1","","Raissa M. Trend; Brian M. Stoltz","Structural Features and Reactivity of (Sparteine)PdCl2: A Model for Selectivity in the Oxidative Kinetic Resolution of Secondary Alcohols","Journal of the American Chemical Society","2008","130","","15957","15966","10.1021/ja804955e","","","0.71073","MoKα","","0.0489","0.0375","","","0.0708","0.0733","","","","","","1.067","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108712","9.7607","0.0003","12.7153","0.0004","15.4067","0.0005","90","","90","","90","","1912.13","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 Cl4 N2 Pd -","- C16 H28 Cl4 N2 Pd -","- C64 H112 Cl16 N8 Pd4 -","4","1","","Raissa M. Trend; Brian M. Stoltz","Structural Features and Reactivity of (Sparteine)PdCl2: A Model for Selectivity in the Oxidative Kinetic Resolution of Secondary Alcohols","Journal of the American Chemical Society","2008","130","","15957","15966","10.1021/ja804955e","","","0.71073","MoKα","","0.0766","0.0466","","","0.0737","0.0788","","","","","","1.108","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108713","8.8518","0.0003","14.7348","0.0004","15.4442","0.0004","90","","90","","90","","2014.38","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 Br2 Cl2 N2 Pd -","- C16 H28 Br2 Cl2 N2 Pd -","- C64 H112 Br8 Cl8 N8 Pd4 -","4","1","","Raissa M. Trend; Brian M. Stoltz","Structural Features and Reactivity of (Sparteine)PdCl2: A Model for Selectivity in the Oxidative Kinetic Resolution of Secondary Alcohols","Journal of the American Chemical Society","2008","130","","15957","15966","10.1021/ja804955e","","","0.71073","MoKα","","0.0565","0.0341","","","0.0526","0.0574","","","","","","1.046","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108714","7.6625","0.0003","15.8593","0.0006","15.9895","0.0005","101.764","0.003","92.604","0.003","96.27","0.003","1886.3","0.12","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H36 Cl F N6 O7 Ru -","- C39 H36 Cl F N6 O7 Ru -","- C78 H72 Cl2 F2 N12 O14 Ru2 -","2","1","","Jasna Maksimoska; Li Feng; Klaus Harms; Chunling Yi; Joseph Kissil; Ronen Marmorstein; Eric Meggers","Targeting Large Kinase Active Site with Rigid, Bulky Octahedral Ruthenium Complexes","Journal of the American Chemical Society","2008","130","","15764","15765","10.1021/ja805555a","","","0.71073","MoKα","","0.0616","0.0454","","","0.0958","0.1015","","","","","","1.066","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108715","11.81","0.005","21.803","0.009","13.251","0.006","90","","90.155","0.006","90","","3412","3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","di(methyltripticil)difluorosilane","","","- C48 H36 F2 Si -","- C48 H36 F2 Si -","- C192 H144 F8 Si4 -","4","1","","Wataru Setaka; Takayoshi Nirengi; Chizuko Kabuto; Mitsuo Kira","Introduction of Clutch Function into a Molecular Gear System by Silane-Silicate Interconversion","Journal of the American Chemical Society","2008","130","","15762","15763","10.1021/ja805777p","","","0.71073","MoKα","","0.0791","0.0442","","","0.1051","0.1226","","","","","","1.024","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108716","12.461","0.003","18.925","0.005","22.839","0.006","90","","90","","90","","5386","2","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Trifluorobistryptycilsilicate","","","- C56 H58 Cl4 F3 K O6 Si -","- C56 H56 Cl4 F3 K O6 Si -","- C224 H224 Cl16 F12 K4 O24 Si4 -","4","1","","Wataru Setaka; Takayoshi Nirengi; Chizuko Kabuto; Mitsuo Kira","Introduction of Clutch Function into a Molecular Gear System by Silane-Silicate Interconversion","Journal of the American Chemical Society","2008","130","","15762","15763","10.1021/ja805777p","","","0.71073","MoKα","","0.1044","0.0779","","","0.1993","0.2175","","","","","","1.065","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108717","19.153","0.012","6.945","0.004","19.384","0.013","90","","105.996","0.009","90","","2479","3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 B Br N2 -","- C26 H36 B Br N2 -","- C104 H144 B4 Br4 N8 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.1086","0.0912","","","0.2386","0.257","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108718","7.4883","0.0002","9.4835","0.0001","18.5512","0.0004","77.6015","0.0008","86.8095","0.0012","80.4265","0.0012","1268.5","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 B I N2 -","- C26 H36 B I N2 -","- C52 H72 B2 I2 N4 -","2","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.71069","MoKα","","0.0168","0.0165","","","0.0421","0.0423","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108719","19.222","0.014","6.924","0.005","19.362","0.014","90","","105.271","0.003","90","","2486","3","103.15","","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 B Br N2 -","- C26 H38 B Br N2 -","- C104 H152 B4 Br4 N8 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.0688","0.0647","","","0.1569","0.1599","","","","","","1.111","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108720","17.0118","0.0011","19.5103","0.0011","18.357","0.0011","90","","90","","90","","6092.8","0.6","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H46 B Li N2 O2 -","- C30 H46 B Li N2 O2 -","- C240 H368 B8 Li8 N16 O16 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.71069","MoKα","","0.1036","0.0814","","","0.2329","0.2575","","","","","","1.071","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108721","11.5625","0.001","19.603","0.002","28.941","0.002","90","","90","","90","","6559.8","1","103.15","","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H52 B Li N2 O2 -","- C34 H52 B Li N2 O2 -","- C272 H416 B8 Li8 N16 O16 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.0892","0.0874","","","0.1634","0.1642","","","","","","1.223","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108722","12.58","0.003","16.395","0.004","16.766","0.004","90","","90","","90","","3458","1.4","103.15","","103","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H54 B Li N2 O2 -","- C34 H54 B Li N2 O2 -","- C136 H216 B4 Li4 N8 O8 -","4","0.5","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.053","0.0481","","","0.114","0.1169","","","","","","1.139","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108723","11.19","0.011","17.754","0.017","18.41","0.018","90","","99.29","0.006","90","","3609","6","103.15","","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H54 B Li N2 O2 -","- C38 H54 B Li N2 O2 -","- C152 H216 B4 Li4 N8 O8 -","4","0.5","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.1072","0.0829","","","0.1853","0.1993","","","","","","1.155","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108724","18.891","0.005","15.567","0.004","16.711","0.005","90","","90","","90","","4914","2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C26 H37 B N2 -","- C26 H37 B N2 -","- C208 H296 B8 N16 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.0717","0.0638","","","0.155","0.1633","","","","","","1.067","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108725","10.45","0.006","12.028","0.009","12.684","0.007","69.23","0.05","67","0.05","75.57","0.06","1360.8","1.6","103.15","","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H39 B N2 -","- C30 H39 B N2 -","- C60 H78 B2 N4 -","2","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.0834","0.0629","","","0.1622","0.1813","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108726","7.413","0.005","9.362","0.007","18.458","0.014","77.366","0.018","86.92","0.02","77.526","0.019","1220.4","1.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H39 B N2 -","- C27 H39 B N2 -","- C54 H78 B2 N4 -","2","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.1329","0.0925","","","0.2483","0.2771","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108727","12.099","0.004","13.535","0.004","18.125","0.006","90","","90","","90","","2968.1","1.6","103.15","","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 B N2 -","- C33 H43 B N2 -","- C132 H172 B4 N8 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.0363","0.0351","","","0.0841","0.0849","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108728","12.205","0.003","13.677","0.003","17.907","0.004","90","","90","","90","","2989.2","1.2","103.15","","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 B N2 O -","- C33 H43 B N2 O -","- C132 H172 B4 N8 O4 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.0419","0.0402","","","0.1034","0.1051","","","","","","1.086","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108729","12.66","0.006","15.48","0.008","14.755","0.007","90","","90.479","0.002","90","","2892","2","103.15","","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H41 B N2 O -","- C33 H41 B N2 O -","- C132 H164 B4 N8 O4 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.0782","0.0572","","","0.1295","0.1415","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108730","9.294","0.004","11.154","0.004","14.663","0.006","81.83","0.011","82.698","0.011","85.549","0.011","1489.7","1","103.15","","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H43 B N2 O -","- C33 H43 B N2 O -","- C66 H86 B2 N4 O2 -","2","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.0825","0.0554","","","0.1337","0.1498","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108731","9.3","0.003","12.312","0.004","25.655","0.008","90","","94.2715","0.0014","90","","2929.4","1.6","103.15","","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H45 B N2 O2 -","- C31 H45 B N2 O2 -","- C124 H180 B4 N8 O8 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.0641","0.0559","","","0.1134","0.1174","","","","","","1.189","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108732","9.474","0.004","10.358","0.005","16.62","0.009","81.12","0.03","74.61","0.03","71.7","0.02","1488.4","1.3","103.15","","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H41 B N2 O2 -","- C33 H41 B N2 O2 -","- C66 H82 B2 N4 O4 -","2","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.0949","0.0653","","","0.1472","0.1659","","","","","","1.154","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108733","18.522","0.004","15.505","0.004","16.871","0.004","90","","90","","90","","4845","2","103.15","","103","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C26 H37 B N2 O -","- C26 H37 B N2 O -","- C208 H296 B8 N16 O8 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.0796","0.0725","","","0.1389","0.142","","","","","","1.287","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108734","13.378","0.01","12.642","0.009","16.528","0.011","90","","95.338","0.005","90","","2783","3","103.15","","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 B N2 -","- C32 H41 B N2 -","- C128 H164 B4 N8 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.0633","0.0498","","","0.1071","0.1137","","","","","","1.108","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108735","13.7643","0.0005","12.5749","0.0004","12.7096","0.0004","90","","96.977","0.002","90","","2183.55","0.13","102","2","102","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 Cl3 Mn O5 Si -","- C5 Cl3 Mn O5 Si -","- C40 Cl24 Mn8 O40 Si8 -","8","2","","Jeremy M. Higgins; Andrew L. Schmitt; Ilia A. Guzei; Song Jin","Higher Manganese Silicide Nanowires of Nowotny Chimney Ladder Phase","Journal of the American Chemical Society","2008","130","","16086","16094","10.1021/ja8065122","","","1.54178","Cu-Kα","","0.0301","0.0264","","","0.0696","0.0725","","","","","","0.911","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108736","17.2428","0.0001","22.0385","0.0001","35.3168","0.0003","90","","90","","90","","13420.6","0.15","210","","210","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H42 B F24 I O4 Ru2 -","- C56 H42 B F24 I O4 Ru2 -","- C448 H336 B8 F192 I8 O32 Ru16 -","8","1","","Natalie D. Coombs; Dragoslav Vidovic; Joanna K. Day; Amber L. Thompson; Delphine D. Le Pevelen; Andreas Stasch; William Clegg; Luca Russo; Louise Male; Michael B. Hursthouse; David J. Willock; Simon Aldridge","Cationic Terminal Gallylene Complexes by Halide Abstraction: Coordination Chemistry of a Valence Isoelectronic Analogue of CO and N2","Journal of the American Chemical Society","2008","130","","16111","16124","10.1021/ja806655f","","","0.71073","MoKα","","0.114","0.0991","","0.3593","0.3445","0.3593","","","","","","0.923","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108737","11.068","0.002","24.636","0.005","15.587","0.003","90","","100.11","0.03","90","","4184.1","1.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H47 Fe Ga I2 O P2 -","- C44 H47 Fe Ga I2 O P2 -","- C176 H188 Fe4 Ga4 I8 O4 P8 -","4","1","","Natalie D. Coombs; Dragoslav Vidovic; Joanna K. Day; Amber L. Thompson; Delphine D. Le Pevelen; Andreas Stasch; William Clegg; Luca Russo; Louise Male; Michael B. Hursthouse; David J. Willock; Simon Aldridge","Cationic Terminal Gallylene Complexes by Halide Abstraction: Coordination Chemistry of a Valence Isoelectronic Analogue of CO and N2","Journal of the American Chemical Society","2008","130","","16111","16124","10.1021/ja806655f","","","0.71073","MoKα","","0.0634","0.0437","","","0.0791","0.0849","","","","","","1.053","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108738","11.0237","0.0002","19.0641","0.0003","22.2038","0.0004","109.44","0.001","95.792","0.001","90.752","0.001","4372.37","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44.75 H49 Fe Ga I2 P2 -","- C44.75 H49 Fe Ga I2 P2 -","- C179 H196 Fe4 Ga4 I8 P8 -","4","2","","Natalie D. Coombs; Dragoslav Vidovic; Joanna K. Day; Amber L. Thompson; Delphine D. Le Pevelen; Andreas Stasch; William Clegg; Luca Russo; Louise Male; Michael B. Hursthouse; David J. Willock; Simon Aldridge","Cationic Terminal Gallylene Complexes by Halide Abstraction: Coordination Chemistry of a Valence Isoelectronic Analogue of CO and N2","Journal of the American Chemical Society","2008","130","","16111","16124","10.1021/ja806655f","","","0.71073","MoKα","","0.139","0.0663","","","0.1484","0.1776","","","","","","1.008","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108739","14.5305","0.0004","15.2373","0.0004","21.0196","0.0007","90","","106.221","0.0009","90","","4468.6","0.2","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H57.5 Fe Ga I O0.75 P2 -","- C48 H57.5 Fe Ga I O0.75 P2 -","- C192 H230 Fe4 Ga4 I4 O3 P8 -","4","1","","Natalie D. Coombs; Dragoslav Vidovic; Joanna K. Day; Amber L. Thompson; Delphine D. Le Pevelen; Andreas Stasch; William Clegg; Luca Russo; Louise Male; Michael B. Hursthouse; David J. Willock; Simon Aldridge","Cationic Terminal Gallylene Complexes by Halide Abstraction: Coordination Chemistry of a Valence Isoelectronic Analogue of CO and N2","Journal of the American Chemical Society","2008","130","","16111","16124","10.1021/ja806655f","","","0.71073","MoKα","","0.1222","0.0834","","0.0857","0.0736","0.0736","","","","","","1.0986","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108740","12.7935","0.0006","12.8963","0.0008","13.4322","0.0008","90","","98.653","0.004","90","","2190.9","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Fe Ga I O2 -","- C21 H26 Fe Ga I O2 -","- C84 H104 Fe4 Ga4 I4 O8 -","4","1","","Natalie D. Coombs; Dragoslav Vidovic; Joanna K. Day; Amber L. Thompson; Delphine D. Le Pevelen; Andreas Stasch; William Clegg; Luca Russo; Louise Male; Michael B. Hursthouse; David J. Willock; Simon Aldridge","Cationic Terminal Gallylene Complexes by Halide Abstraction: Coordination Chemistry of a Valence Isoelectronic Analogue of CO and N2","Journal of the American Chemical Society","2008","130","","16111","16124","10.1021/ja806655f","","","0.71073","MoKα","","0.2303","0.0436","","0.1439","0.0456","0.0456","","","","","","0.9873","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108741","8.8295","0.0002","11.3312","0.0003","17.4071","0.0003","91.802","0.002","95.121","0.001","93.949","0.001","1729.25","0.07","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H48 Fe2 Ga N O4 Si2 -","- C30 H48 Fe2 Ga N O4 Si2 -","- C60 H96 Fe4 Ga2 N2 O8 Si4 -","2","1","","Natalie D. Coombs; Dragoslav Vidovic; Joanna K. Day; Amber L. Thompson; Delphine D. Le Pevelen; Andreas Stasch; William Clegg; Luca Russo; Louise Male; Michael B. Hursthouse; David J. Willock; Simon Aldridge","Cationic Terminal Gallylene Complexes by Halide Abstraction: Coordination Chemistry of a Valence Isoelectronic Analogue of CO and N2","Journal of the American Chemical Society","2008","130","","16111","16124","10.1021/ja806655f","","","0.71073","MoKα","","0.0501","0.038","","","0.085","0.0907","","","","","","1.03","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108742","12.5823","0.0014","14.2036","0.0016","19.828","0.002","83.4582","0.0013","73.2027","0.0014","86.7306","0.0014","3369.2","0.6","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H51 B F24 Fe Ga I P2 -","- C67.408 H50.778 B0.9815 F23.5575 Fe Ga I1.0185 P2 -","- C134.816 H101.556 B1.963 F47.115 Fe2 Ga2 I2.037 P4 -","2","1","","Natalie D. Coombs; Dragoslav Vidovic; Joanna K. Day; Amber L. Thompson; Delphine D. Le Pevelen; Andreas Stasch; William Clegg; Luca Russo; Louise Male; Michael B. Hursthouse; David J. Willock; Simon Aldridge","Cationic Terminal Gallylene Complexes by Halide Abstraction: Coordination Chemistry of a Valence Isoelectronic Analogue of CO and N2","Journal of the American Chemical Society","2008","130","","16111","16124","10.1021/ja806655f","","","0.671","synchrotron","","0.0931","0.0575","","","0.1388","0.1571","","","","","","1.041","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108743","18.6058","0.0002","16.364","0.0002","21.0354","0.0002","90","","93.6797","0.0006","90","","6391.35","0.12","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H47 B F25 Fe2 I O4 -","- C62 H47 B F25 Fe2 I O4 -","- C248 H188 B4 F100 Fe8 I4 O16 -","4","1","","Natalie D. Coombs; Dragoslav Vidovic; Joanna K. Day; Amber L. Thompson; Delphine D. Le Pevelen; Andreas Stasch; William Clegg; Luca Russo; Louise Male; Michael B. Hursthouse; David J. Willock; Simon Aldridge","Cationic Terminal Gallylene Complexes by Halide Abstraction: Coordination Chemistry of a Valence Isoelectronic Analogue of CO and N2","Journal of the American Chemical Society","2008","130","","16111","16124","10.1021/ja806655f","","","0.71073","MoKα","","0.0853","0.0641","","0.0922","0.0718","0.0718","","","","","","1.1249","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108744","14.928","0.005","25.697","0.008","17.157","0.005","90","","92.724","0.004","90","","6574","4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H51 B Cl F24 Fe P2 -","- C68 H51 B Cl F24 Fe P2 -","- C272 H204 B4 Cl4 F96 Fe4 P8 -","4","1","","Natalie D. Coombs; Dragoslav Vidovic; Joanna K. Day; Amber L. Thompson; Delphine D. Le Pevelen; Andreas Stasch; William Clegg; Luca Russo; Louise Male; Michael B. Hursthouse; David J. Willock; Simon Aldridge","Cationic Terminal Gallylene Complexes by Halide Abstraction: Coordination Chemistry of a Valence Isoelectronic Analogue of CO and N2","Journal of the American Chemical Society","2008","130","","16111","16124","10.1021/ja806655f","","","0.6911","synchrotron","","0.0902","0.0593","","","0.1495","0.1703","","","","","","1.018","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108745","8.6253","0.0002","9.8332","0.0002","11.6061","0.0002","73.355","0.001","73.115","0.001","67.537","0.001","853.15","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 Ga2 I4 O4 Ru2 -","- C24 H30 Ga2 I4 O4 Ru2 -","- C24 H30 Ga2 I4 O4 Ru2 -","1","0.5","","Natalie D. Coombs; Dragoslav Vidovic; Joanna K. Day; Amber L. Thompson; Delphine D. Le Pevelen; Andreas Stasch; William Clegg; Luca Russo; Louise Male; Michael B. Hursthouse; David J. Willock; Simon Aldridge","Cationic Terminal Gallylene Complexes by Halide Abstraction: Coordination Chemistry of a Valence Isoelectronic Analogue of CO and N2","Journal of the American Chemical Society","2008","130","","16111","16124","10.1021/ja806655f","","","0.71073","MoKα","","0.0341","0.0317","","","0.0803","0.0815","","","","","","1.162","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108746","10.8243","0.0002","11.0082","0.0002","15.2923","0.0003","73.8264","0.0008","69.7145","0.0007","85.1463","0.0009","1641.36","0.05","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C31 H32 F Ga I2 O2 P Ru -","- C31 H32 F Ga I2 O2 P Ru -","- C62 H64 F2 Ga2 I4 O4 P2 Ru2 -","2","1","","Natalie D. Coombs; Dragoslav Vidovic; Joanna K. Day; Amber L. Thompson; Delphine D. Le Pevelen; Andreas Stasch; William Clegg; Luca Russo; Louise Male; Michael B. Hursthouse; David J. Willock; Simon Aldridge","Cationic Terminal Gallylene Complexes by Halide Abstraction: Coordination Chemistry of a Valence Isoelectronic Analogue of CO and N2","Journal of the American Chemical Society","2008","130","","16111","16124","10.1021/ja806655f","","","0.71073","MoKα","","0.0463","0.0352","","0.0854","0.0814","0.0854","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108747","11.1829","0.0002","17.9378","0.0004","16.8549","0.0003","90","","108.825","0.0013","90","","3200.19","0.11","210","","210","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39 I P2 Ru -","- C36 H39 I P2 Ru -","- C144 H156 I4 P8 Ru4 -","4","1","","Natalie D. Coombs; Dragoslav Vidovic; Joanna K. Day; Amber L. Thompson; Delphine D. Le Pevelen; Andreas Stasch; William Clegg; Luca Russo; Louise Male; Michael B. Hursthouse; David J. Willock; Simon Aldridge","Cationic Terminal Gallylene Complexes by Halide Abstraction: Coordination Chemistry of a Valence Isoelectronic Analogue of CO and N2","Journal of the American Chemical Society","2008","130","","16111","16124","10.1021/ja806655f","","","0.71073","MoKα","","0.099","0.0567","","0.1454","0.1262","0.1452","","","","","","0.9846","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108748","9.9134","0.0006","12.5819","0.0007","15.4598","0.0009","97.573","0.001","98.187","0.001","110.544","0.001","1752.55","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H59 B10 P Ru -","- C31.5 H55 B10 P Ru -","- C63 H110 B20 P2 Ru2 -","2","1","","Dongmei Liu; Li Dang; Yi Sun; Hoi-Shan Chan; Zhenyang Lin; Zuowei Xie","Hydrogen-Mediated Metal-Carbon to Metal-Boron Bond Conversion in Metal-Carboranyl Complexes","Journal of the American Chemical Society","2008","130","","16103","16110","10.1021/ja8067098","","","0.71073","MoKα","","0.0313","0.0291","","","0.0802","0.082","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108749","9.2911","0.0008","26.196","0.002","14.6014","0.0013","90","","93.202","0.002","90","","3548.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H43 B10 P Ru -","- C34 H43 B10 P Ru -","- C136 H172 B40 P4 Ru4 -","4","1","","Dongmei Liu; Li Dang; Yi Sun; Hoi-Shan Chan; Zhenyang Lin; Zuowei Xie","Hydrogen-Mediated Metal-Carbon to Metal-Boron Bond Conversion in Metal-Carboranyl Complexes","Journal of the American Chemical Society","2008","130","","16103","16110","10.1021/ja8067098","","","0.71073","MoKα","","0.0578","0.0392","","","0.0918","0.1008","","","","","","1.043","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108750","9.153","0.0018","17.736","0.004","11.175","0.002","90","","90.96","0.03","90","","1813.9","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H44 B10 P2 Ru -","- C36 H44 B10 P2 Ru -","- C72 H88 B20 P4 Ru2 -","2","1","","Dongmei Liu; Li Dang; Yi Sun; Hoi-Shan Chan; Zhenyang Lin; Zuowei Xie","Hydrogen-Mediated Metal-Carbon to Metal-Boron Bond Conversion in Metal-Carboranyl Complexes","Journal of the American Chemical Society","2008","130","","16103","16110","10.1021/ja8067098","","","0.71073","MoKα","","0.0373","0.031","","","0.0776","0.081","","","","","","1.024","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108751","10.75","0.002","20.386","0.004","18.477","0.004","90","","102.82","0.03","90","","3948.3","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H50 B10 O3 P2 Ru -","- C34 H50 B10 O3 P2 Ru -","- C136 H200 B40 O12 P8 Ru4 -","4","1","","Dongmei Liu; Li Dang; Yi Sun; Hoi-Shan Chan; Zhenyang Lin; Zuowei Xie","Hydrogen-Mediated Metal-Carbon to Metal-Boron Bond Conversion in Metal-Carboranyl Complexes","Journal of the American Chemical Society","2008","130","","16103","16110","10.1021/ja8067098","","","0.71073","MoKα","","0.0508","0.0468","","","0.1261","0.1291","","","","","","1.097","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108752","10.4337","0.0012","10.75","0.0012","15.0934","0.0017","97.231","0.002","90.234","0.002","92.507","0.002","1677.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H40 B10 N P Ru -","- C33 H40 B10 N P Ru -","- C66 H80 B20 N2 P2 Ru2 -","2","1","","Dongmei Liu; Li Dang; Yi Sun; Hoi-Shan Chan; Zhenyang Lin; Zuowei Xie","Hydrogen-Mediated Metal-Carbon to Metal-Boron Bond Conversion in Metal-Carboranyl Complexes","Journal of the American Chemical Society","2008","130","","16103","16110","10.1021/ja8067098","","","0.71073","MoKα","","0.0365","0.0296","","","0.0743","0.0791","","","","","","1.05","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108753","11.304","0.0015","12.7372","0.0016","14.1634","0.0018","77.41","0.003","68.633","0.002","78.164","0.003","1835.6","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H92 B20 K2 O4 P2 Ru2 -","- C64 H92 B20 K2 O4 P2 Ru2 -","- C64 H92 B20 K2 O4 P2 Ru2 -","1","0.5","","Dongmei Liu; Li Dang; Yi Sun; Hoi-Shan Chan; Zhenyang Lin; Zuowei Xie","Hydrogen-Mediated Metal-Carbon to Metal-Boron Bond Conversion in Metal-Carboranyl Complexes","Journal of the American Chemical Society","2008","130","","16103","16110","10.1021/ja8067098","","","0.71073","MoKα","","0.0646","0.0414","","","0.0917","0.1058","","","","","","1.01","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108754","9.6888","0.0005","11.7838","0.0007","21.5338","0.0012","90","","90","","90","","2458.5","0.2","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 Cl2 N4 O2 -","- C24 H29.67 Cl2 N4 O2 -","- C96 H118.68 Cl8 N16 O8 -","4","1","","Xu Cheng; Sreekumar Vellalath; Richard Goddard; Benjamin List","Direct Catalytic Asymmetric Synthesis of Cyclic Aminals from Aldehydes","Journal of the American Chemical Society","2008","130","","15786","15787","10.1021/ja8071034","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108755","13.207","0.002","13.372","0.002","16.028","0.003","83.814","0.003","76.198","0.003","60.728","0.003","2397.7","0.7","110","2","110","2","","","","","","","","6","P -1","-P 1","2","ZPP1","","","- C48 H48 Cl2 N8 O8.5 S2 -","- C47.998 H47.994 Cl2 N8 O8.499 S1.999 -","- C95.996 H95.988 Cl4 N16 O16.998 S3.998 -","2","1","","Xiao-an Zhang; Dugan Hayes; Sarah J. Smith; Simone Friedle; Stephen J. Lippard","New Strategy for Quantifying Biological Zinc by a Modified Zinpyr Fluorescence Sensor","Journal of the American Chemical Society","2008","130","","15788","15789","10.1021/ja807156b","","","0.71073","MoKα","","0.0949","0.0674","","","0.1564","0.1704","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108756","11.9729","0.0016","12.259","0.002","12.508","0.002","115.616","0.008","94.121","0.009","103.653","0.008","1576.6","0.4","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N2 O5 S -","- C32 H34 N2 O5 S -","- C64 H68 N4 O10 S2 -","2","1","","Joshua S. Dickstein; Michael W. Fennie; Amber L. Norman; Betty J. Paulose; Marisa C. Kozlowski","Three Component Coupling of α-Iminoesters via Umpolung Addition of Organometals: Synthesis of α,α-Disubstituted α-Amino Acids","Journal of the American Chemical Society","2008","130","","15794","15795","10.1021/ja8073006","","","0.71073","MoKα","","0.0835","0.0632","","","0.1617","0.1743","","","","","","1.08","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108757","35.095","0.0014","17.143","0.0013","17.421","0.0013","90","","99.812","0.004","90","","10327.7","1.2","143","2","143","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","CpFeC60Me10FeCp_CHCl3","","- C81 H41 Cl3 Fe2 -","- C81 H41 Cl3 Fe2 -","- C648 H328 Cl24 Fe16 -","8","1","","Renata Marczak; Mateusz Wielopolski; S. Shankara Gayathri; Dirk M. Guldi; Yutaka Matsuo; Keiko Matsuo; Kazukuni Tahara; Eiichi Nakamura","Uniquely Shaped Double-Decker Buckyferrocenes-Distinct Electron Donor-Acceptor Interactions","Journal of the American Chemical Society","2008","130","","16207","16215","10.1021/ja8013902","","x-ray","0.71073","MoKα","","0.0844","0.0634","","","0.1647","0.1831","","","","","","1.036","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108758","11.276","0.006","21.827","0.013","19.094","0.011","90","","90.723","0.015","90","","4699","5","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","La@C82BzCl3","La@C82BzCl3","","- C90 H4 Cl3 La S2 -","- C90 H4 Cl3 La S2 -","- C360 H16 Cl12 La4 S8 -","4","1","","Yuta Takano; Akinori Yomogida; Hidefumi Nikawa; Michio Yamada; Takatsugu Wakahara; Takahiro Tsuchiya; Midori O. Ishitsuka; Yutaka Maeda; Takeshi Akasaka; Tatsuhisa Kato; Zdenek Slanina; Naomi Mizorogi; Shigeru Nagase","Radical Coupling Reaction of Paramagnetic Endohedral Metallofullerene La@C82","Journal of the American Chemical Society","2008","130","","16224","16230","10.1021/ja802748q","","x-ray","0.6888","synchrotron","","0.1712","0.1235","","","0.332","0.3617","","","","","","1.3","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108759","10.0974","0.0002","10.4407","0.0003","11.4272","0.0003","104.745","0.002","112.477","0.001","100.54","0.001","1022.22","0.05","200","2","200","2","","","","","","","","6","P 1","P 1","1","","","","- C37 H69 Al Li N O4 -","- C37 H69 Al Li N O4 -","- C37 H69 Al Li N O4 -","1","1","","Hiroshi Naka; James V. Morey; Joanna Haywood; Dana J. Eisler; Mary McPartlin; Felipe García; Hironaga Kudo; Yoshinori Kondo; Masanobu Uchiyama; Andrew E. H. Wheatley","Mixed Alkylamido Aluminate as a Kinetically Controlled Base","Journal of the American Chemical Society","2008","130","","16193","16200","10.1021/ja804749y","","","0.71073","MoKα","","0.1028","0.0847","","","0.2264","0.2492","","","","","","1.06","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108760","10.514","0.0001","19.7762","0.0003","22.3649","0.0004","71.163","0.005","88.705","0.005","80.96","0.01","4344.6","0.2","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H71 Al Li N O4 -","- C41 H71 Al Li N O4 -","- C164 H284 Al4 Li4 N4 O16 -","4","2","","Hiroshi Naka; James V. Morey; Joanna Haywood; Dana J. Eisler; Mary McPartlin; Felipe García; Hironaga Kudo; Yoshinori Kondo; Masanobu Uchiyama; Andrew E. H. Wheatley","Mixed Alkylamido Aluminate as a Kinetically Controlled Base","Journal of the American Chemical Society","2008","130","","16193","16200","10.1021/ja804749y","","","0.71073","MoKα","","0.1066","0.0928","","","0.2406","0.2569","","","","","","1.028","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108761","14.3169","0.0017","29.023","0.003","18.438","0.002","90","","90","","90","","7661.3","1.5","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C76 H108 Mo2 N6 O9 -","- C72 H96 Mo2 N6 O8 -","- C288 H384 Mo8 N24 O32 -","4","1","","Soumya Sarkar; Khalil A. Abboud; Adam S. Veige","Addition of Mild Electrophiles to a Mo\τbN Triple Bond and Nitrile Synthesis via Metal-Mediated N-Atom Transfer to Acid Chlorides","Journal of the American Chemical Society","2008","130","","16128","16129","10.1021/ja805629x","","","0.71073","MoKα","","0.1412","0.071","","","0.1666","0.1949","","","","","","0.866","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108762","8.0173","0.0005","19.397","0.0013","16.3635","0.0011","90","","95.6603","0.0009","90","","2532.3","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 Ir N P S -","- C27 H37 Ir N P S -","- C108 H148 Ir4 N4 P4 S4 -","4","1","","Kevin D. Hesp; Robert McDonald; Michael J. Ferguson; Mark Stradiotto","New Cationic and Zwitterionic Cp*M(κ2-P,S) Complexes (M = Rh, Ir): Divergent Reactivity Pathways Arising from Alternative Modes of Ancillary Ligand Participation in Substrate Activation","Journal of the American Chemical Society","2008","130","","16394","16406","10.1021/ja8062277","","","0.71073","MoKα","","0.0227","0.0203","","","0.0501","0.0512","","","","","","1.097","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108763","8.4287","0.0009","18.747","0.002","15.3597","0.0017","90","","91.1555","0.0015","90","","2426.5","0.5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 Cl Ir P S -","- C25 H35 Cl Ir P S -","- C100 H140 Cl4 Ir4 P4 S4 -","4","1","","Kevin D. Hesp; Robert McDonald; Michael J. Ferguson; Mark Stradiotto","New Cationic and Zwitterionic Cp*M(κ2-P,S) Complexes (M = Rh, Ir): Divergent Reactivity Pathways Arising from Alternative Modes of Ancillary Ligand Participation in Substrate Activation","Journal of the American Chemical Society","2008","130","","16394","16406","10.1021/ja8062277","","","0.71073","MoKα","","0.0258","0.0245","","","0.0612","0.0617","","","","","","1.169","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108764","16.276","0.0012","9.3991","0.0007","22.3078","0.0016","90","","90","","90","","3412.6","0.4","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H46 Ir P S Si -","- C37 H46 Ir P S Si -","- C148 H184 Ir4 P4 S4 Si4 -","4","1","","Kevin D. Hesp; Robert McDonald; Michael J. Ferguson; Mark Stradiotto","New Cationic and Zwitterionic Cp*M(κ2-P,S) Complexes (M = Rh, Ir): Divergent Reactivity Pathways Arising from Alternative Modes of Ancillary Ligand Participation in Substrate Activation","Journal of the American Chemical Society","2008","130","","16394","16406","10.1021/ja8062277","","","0.71073","MoKα","","0.0315","0.0274","","","0.0639","0.0657","","","","","","1.028","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108765","9.1759","0.0008","10.9655","0.0008","15.4658","0.0009","80.643","0.002","75.359","0.002","80.987","0.002","1474.66","0.19","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H35 F3 Ir O4 P S2 -","- C27 H35 F3 Ir O4 P S2 -","- C54 H70 F6 Ir2 O8 P2 S4 -","2","1","","Kevin D. Hesp; Robert McDonald; Michael J. Ferguson; Mark Stradiotto","New Cationic and Zwitterionic Cp*M(κ2-P,S) Complexes (M = Rh, Ir): Divergent Reactivity Pathways Arising from Alternative Modes of Ancillary Ligand Participation in Substrate Activation","Journal of the American Chemical Society","2008","130","","16394","16406","10.1021/ja8062277","","","0.71073","MoKα","","0.0408","0.0378","","","0.0932","0.0945","","","","","","1.027","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108766","11.2171","0.0009","12.4867","0.001","18.0424","0.0014","90","","103.933","0.001","90","","2452.7","0.3","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H41 B F20 Ir P S -","- C51 H41 B F20 Ir P S -","- C102 H82 B2 F40 Ir2 P2 S2 -","2","1","","Kevin D. Hesp; Robert McDonald; Michael J. Ferguson; Mark Stradiotto","New Cationic and Zwitterionic Cp*M(κ2-P,S) Complexes (M = Rh, Ir): Divergent Reactivity Pathways Arising from Alternative Modes of Ancillary Ligand Participation in Substrate Activation","Journal of the American Chemical Society","2008","130","","16394","16406","10.1021/ja8062277","","","0.71073","MoKα","","0.0272","0.0244","","","0.0538","0.0548","","","","","","0.921","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108767","13.7735","0.0003","21.8039","0.0004","16.3499","0.0003","90","","98.217","0.001","90","","4859.73","0.17","193","2","193","2","","","","","","","chemical synthesis","4","C 1 2/c 1","-C 2yc","15","","9,10,19,21-Tetraphenyldiphenanthro[9,10-b:9,10-h]carbazole Bis(1,2-dichloroethane) Solvate","","- C64 H45 Cl4 N -","- C64 H45 Cl4 N -","- C256 H180 Cl16 N4 -","4","0.5","","Robert S. Walters; Christina M. Kraml; Neal Byrne; Douglas M. Ho; Qian Qin; Frederick J. Coughlin; Stefan Bernhard; Robert A. Pascal","Configurationally Stable Longitudinally Twisted Polycyclic Aromatic Compounds","Journal of the American Chemical Society","2008","130","","16435","16441","10.1021/ja806958x","","","0.71073","MoKα","","0.0697","0.0482","","0.1268","","0.1107","","","1.017","","","1.039","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108768","12.8717","0.0007","14.1496","0.001","14.7329","0.001","62.804","0.002","80.102","0.004","84.972","0.003","2351","0.3","200","2","200","2","","","","","","","chemical synthesis","5","P -1","-P 1","2","","9,10,11,12,13,14-Hexaphenyl-15-oxo-9,14-dihydro-9,14- methanobenzo[h]naphtho[2,3-f]quinoline Bis(dichloromethane) Solvate","","- C60 H41 Cl4 N O -","- C60 H41 Cl4 N O -","- C120 H82 Cl8 N2 O2 -","2","1","","Robert S. Walters; Christina M. Kraml; Neal Byrne; Douglas M. Ho; Qian Qin; Frederick J. Coughlin; Stefan Bernhard; Robert A. Pascal","Configurationally Stable Longitudinally Twisted Polycyclic Aromatic Compounds","Journal of the American Chemical Society","2008","130","","16435","16441","10.1021/ja806958x","","","0.71073","MoKα","","0.1116","0.0758","","0.1691","","0.1501","","","1.134","","","1.189","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108769","13.1255","0.0007","12.2959","0.0004","27.6935","0.0015","90","","115.011","0.001","90","","4050.3","0.3","200","2","200","2","","","","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","","9,10,11,12,13,14-Hexaphenylbenzo[h]naphtho[2,3-f]quinoline carbon disulfide solvate","","- C57.33 H37 N S0.67 -","- C57.335 H37 N S0.67 -","- C229.34 H148 N4 S2.68 -","4","1","","Robert S. Walters; Christina M. Kraml; Neal Byrne; Douglas M. Ho; Qian Qin; Frederick J. Coughlin; Stefan Bernhard; Robert A. Pascal","Configurationally Stable Longitudinally Twisted Polycyclic Aromatic Compounds","Journal of the American Chemical Society","2008","130","","16435","16441","10.1021/ja806958x","","","0.71073","MoKα","","0.1245","0.072","","0.1015","","0.0864","","","1.152","","","1.24","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108770","8.7058","0.001","13.9305","0.0016","9.1612","0.001","90","","94.954","0.003","90","","1106.9","0.2","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N O6 S -","- C23 H27 N O6 S -","- C46 H54 N2 O12 S2 -","2","1","","Elizabeth C. Linton; Marisa C. Kozlowski","Catalytic Enantioselective Meerwein-Eschenmoser Claisen Rearrangement: Asymmetric Synthesis of Allyl Oxindoles","Journal of the American Chemical Society","2008","130","","16162","16163","10.1021/ja807026z","","","0.71073","MoKα","","0.0495","0.0442","","","0.1074","0.113","","","","","","1.05","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108771","15.366","0.0007","17.5521","0.0008","19.3972","0.0009","90","","90","","90","","5231.5","0.4","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H42 Mo P4 S -","- C20 H42 Mo P4 S -","- C160 H336 Mo8 P32 S8 -","8","1","","Daniela Buccella; Kevin E. Janak; Gerard Parkin","Reactivity of Mo(PMe3)6 towards Benzothiophene and Selenophenes: New Pathways Relevant to Hydrodesulfurization","Journal of the American Chemical Society","2008","130","","16187","16189","10.1021/ja8070545","","","0.71073","MoKα","","0.0293","0.0226","","","0.054","0.0578","","","","","","1.049","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108772","18.868","0.004","16.258","0.003","17.723","0.004","90","","102.89","0.003","90","","5299.6","1.9","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H42 Mo P4 S -","- C20 H42 Mo P4 S -","- C160 H336 Mo8 P32 S8 -","8","2","","Daniela Buccella; Kevin E. Janak; Gerard Parkin","Reactivity of Mo(PMe3)6 towards Benzothiophene and Selenophenes: New Pathways Relevant to Hydrodesulfurization","Journal of the American Chemical Society","2008","130","","16187","16189","10.1021/ja8070545","","","0.71073","MoKα","","0.149","0.0546","","","0.0797","0.1012","","","","","","1.01","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108773","9.5865","0.0009","9.9755","0.0009","14.1841","0.0013","77.351","0.001","84.974","0.001","72.905","0.001","1264.6","0.2","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H42 Mo P4 S -","- C20 H42 Mo P4 S -","- C40 H84 Mo2 P8 S2 -","2","1","","Daniela Buccella; Kevin E. Janak; Gerard Parkin","Reactivity of Mo(PMe3)6 towards Benzothiophene and Selenophenes: New Pathways Relevant to Hydrodesulfurization","Journal of the American Chemical Society","2008","130","","16187","16189","10.1021/ja8070545","","","0.71073","MoKα","","0.0272","0.0242","","","0.062","0.0639","","","","","","1.034","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108774","15.3325","0.0009","17.6221","0.001","19.508","0.0011","90","","90","","90","","5270.9","0.5","125","2","125","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H42 Mo P4 Se -","- C20 H42 Mo P4 Se -","- C160 H336 Mo8 P32 Se8 -","8","1","","Daniela Buccella; Kevin E. Janak; Gerard Parkin","Reactivity of Mo(PMe3)6 towards Benzothiophene and Selenophenes: New Pathways Relevant to Hydrodesulfurization","Journal of the American Chemical Society","2008","130","","16187","16189","10.1021/ja8070545","","","0.71073","MoKα","","0.0774","0.0436","","","0.1017","0.1203","","","","","","1.048","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108775","9.8588","0.0004","16.0839","0.0006","21.5188","0.0008","90","","99.622","0.001","90","","3364.2","0.2","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 Mo2 P4 Se2 -","- C28 H48 Mo2 P4 Se2 -","- C112 H192 Mo8 P16 Se8 -","4","1","","Daniela Buccella; Kevin E. Janak; Gerard Parkin","Reactivity of Mo(PMe3)6 towards Benzothiophene and Selenophenes: New Pathways Relevant to Hydrodesulfurization","Journal of the American Chemical Society","2008","130","","16187","16189","10.1021/ja8070545","","","0.71073","MoKα","","0.0571","0.0323","","","0.0618","0.0691","","","","","","1.001","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108776","10.4797","0.0004","10.8499","0.0004","12.0185","0.0004","66.694","0.001","78.146","0.001","69.722","0.001","1173.55","0.07","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Mo P2 Se2 -","- C22 H30 Mo P2 Se2 -","- C44 H60 Mo2 P4 Se4 -","2","1","","Daniela Buccella; Kevin E. Janak; Gerard Parkin","Reactivity of Mo(PMe3)6 towards Benzothiophene and Selenophenes: New Pathways Relevant to Hydrodesulfurization","Journal of the American Chemical Society","2008","130","","16187","16189","10.1021/ja8070545","","","0.71073","MoKα","","0.0314","0.0227","","","0.0529","0.0559","","","","","","1.01","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108777","17.9949","0.0008","18.7079","0.0008","20.3149","0.0009","90","","112.478","0.001","90","","6319.4","0.5","125","2","125","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C45 H106 Mo3 P10 Se2 -","- C45 H106 Mo3 P10 Se2 -","- C180 H424 Mo12 P40 Se8 -","4","1","","Daniela Buccella; Kevin E. Janak; Gerard Parkin","Reactivity of Mo(PMe3)6 towards Benzothiophene and Selenophenes: New Pathways Relevant to Hydrodesulfurization","Journal of the American Chemical Society","2008","130","","16187","16189","10.1021/ja8070545","","","0.71073","MoKα","","0.0454","0.0325","","","0.0582","0.0613","","","","","","1.058","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108778","14.333","0.002","16.55","0.003","27.977","0.005","93.212","0.003","103.856","0.003","110.975","0.003","5942.4","1.7","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C127 H147 Cl9 N8 O4 -","- C127 H147 Cl9 N8 O4 -","- C254 H294 Cl18 N16 O8 -","2","1","","Satoru Hiroto; Ichiro Hisaki; Hiroshi Shinokubo; Atsuhiro Osuka","Synthesis of Directly and Doubly Linked Dioxoisobacteriochlorin Dimers","Journal of the American Chemical Society","2008","130","","16172","16173","10.1021/ja807659h","","","0.71073","MoKα","","0.1343","0.0937","","","0.2646","0.3056","","","","","","1.047","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108779","13.188","0.005","14.388","0.005","16.656","0.007","66.993","0.012","86.554","0.014","78.472","0.012","2849.8","1.9","123.1","","123.1","","","","","","","","","6","P -1","-P 1","2","","","","- C126.66 H143.32 Cl4.02 N8.66 Ni2 O4 -","- C126.662 H143.322 Cl4.026 N8.66 Ni2 O4 -","- C126.662 H143.322 Cl4.026 N8.66 Ni2 O4 -","1","0.5","","Satoru Hiroto; Ichiro Hisaki; Hiroshi Shinokubo; Atsuhiro Osuka","Synthesis of Directly and Doubly Linked Dioxoisobacteriochlorin Dimers","Journal of the American Chemical Society","2008","130","","16172","16173","10.1021/ja807659h","","","0.71075","MoKα","","0.1517","0.086","","","0.219","0.2661","","","","","","1.029","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108780","8.561","0.0019","11.733","0.004","20.575","0.006","90","","90","","90","","2066.7","1","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl N O3 -","- C23 H24 Cl N O3 -","- C92 H96 Cl4 N4 O12 -","4","1","","Ryo Shintani; Soyoung Park; Fumitaka Shirozu; Masataka Murakami; Tamio Hayashi","Palladium-Catalyzed Asymmetric Decarboxylative Lactamization of γ-Methylidene-δ-valerolactones with Isocyanates: Conversion of Racemic Lactones to Enantioenriched Lactams","Journal of the American Chemical Society","2008","130","","16174","16175","10.1021/ja807662b","","","0.71075","MoKα","","","0.0435","","","","0.0519","","","","","","0.837","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108781","8.0654","0.0016","20.143","0.003","24.741","0.004","90","","90","","90","","4019.5","1.2","123.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H49 Cl N O5 P Pd -","- C45 H49 Cl N O5 P Pd -","- C180 H196 Cl4 N4 O20 P4 Pd4 -","4","1","","Ryo Shintani; Soyoung Park; Fumitaka Shirozu; Masataka Murakami; Tamio Hayashi","Palladium-Catalyzed Asymmetric Decarboxylative Lactamization of γ-Methylidene-δ-valerolactones with Isocyanates: Conversion of Racemic Lactones to Enantioenriched Lactams","Journal of the American Chemical Society","2008","130","","16174","16175","10.1021/ja807662b","","","0.71075","MoKα","","","0.0741","","","","0.1625","","","","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108782","19.903","0.003","14.063","0.002","19.279","0.003","90","","100.987","0.002","90","","5297.2","1.4","157","2","157","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C20 H24 F6 N2 O6 Pt S2 -","- C20 H24 F6 N2 O6 Pt S2 -","- C160 H192 F48 N16 O48 Pt8 S16 -","8","1","","Jennifer L. McBee; Alexis T. Bell; T. Don Tilley","Mechanistic Studies of the Hydroamination of Norbornene with Electrophilic Platinum Complexes: The Role of Proton Transfer","Journal of the American Chemical Society","2008","130","","16562","16571","10.1021/ja8030104","","","0.71073","MoKα","","0.0667","0.0373","","","0.0689","0.0719","","","","","","0.788","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108783","12.5853","0.0008","15.744","0.001","24.1309","0.0017","90","","90","","90","","4781.4","0.5","153","2","15.3","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H42 F6 O7 P2 Pt S2 -","- C50 H42 F6 O7 P2 Pt S2 -","- C200 H168 F24 O28 P8 Pt4 S8 -","4","1","","Jennifer L. McBee; Alexis T. Bell; T. Don Tilley","Mechanistic Studies of the Hydroamination of Norbornene with Electrophilic Platinum Complexes: The Role of Proton Transfer","Journal of the American Chemical Society","2008","130","","16562","16571","10.1021/ja8030104","","","0.71073","MoKα","","0.0362","0.0305","","","0.062","0.0632","","","","","","1.018","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108784","11.779","0.003","16.296","0.004","20.316","0.008","100.69","0.03","106.84","0.03","96.14","0.02","3614","2","141","2","141","2","","","","","","","","8","P -1","-P 1","2","","","","- C59 H78 Cl2 F6 N6 O10 Pt2 S4 -","- C59 H78 Cl2 F6 N6 O10 Pt2 S4 -","- C118 H156 Cl4 F12 N12 O20 Pt4 S8 -","2","1","","Jennifer L. McBee; Alexis T. Bell; T. Don Tilley","Mechanistic Studies of the Hydroamination of Norbornene with Electrophilic Platinum Complexes: The Role of Proton Transfer","Journal of the American Chemical Society","2008","130","","16562","16571","10.1021/ja8030104","","","0.71073","MoKα","","0.0475","0.0385","","","0.1086","0.1135","","","","","","1.035","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108785","15.801","0.009","15.752","0.009","18.259","0.01","90","","90","","90","","4545","4","173","1","173","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H57 Cu2 F6 N4 O4 Sb -","- C37 H57 Cu2 F6 N4 O4 Sb -","- C148 H228 Cu8 F24 N16 O16 Sb4 -","4","1","","Yasuhiro Funahashi; Tomohide Nishikawa; Yuko Wasada-Tsutsui; Yuji Kajita; Syuhei Yamaguchi; Hidekazu Arii; Tomohiro Ozawa; Koichiro Jitsukawa; Takehiko Tosha; Shun Hirota; Teizo Kitagawa; Hideki Masuda","Formation of a Bridged Butterfly-Type μ-η2:η2-Peroxo Dicopper Core Structure with a Carboxylate Group","Journal of the American Chemical Society","2008","130","","16444","16445","10.1021/ja804201z","","","0.7107","MoKα","","","0.0744","","","","0.1098","","","","","","1.002","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108786","5.936","0.003","10.222","0.005","16.668","0.009","99.372","0.01","95.847","0.009","98.583","0.012","978.4","0.9","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 B N O3 -","- C25 H18 B N O3 -","- C50 H36 B2 N2 O6 -","2","1","","Peter F. Kaiser; Jonathan M. White; Craig A. Hutton","Enantioselective Preparation of a Stable Boronate Complex Stereogenic Only at Boron","Journal of the American Chemical Society","2008","130","","16450","16451","10.1021/ja8044629","","","0.71073","MoKα","","0.1157","0.0592","","","0.121","0.137","","","","","","0.845","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108787","11.2836","0.0002","9.1586","0.0001","11.5208","0.0002","90","","117.414","0.002","90","","1056.88","0.03","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H17 B Br N O3 -","- C25 H17 B Br N O3 -","- C50 H34 B2 Br2 N2 O6 -","2","1","","Peter F. Kaiser; Jonathan M. White; Craig A. Hutton","Enantioselective Preparation of a Stable Boronate Complex Stereogenic Only at Boron","Journal of the American Chemical Society","2008","130","","16450","16451","10.1021/ja8044629","","","1.54184","CuKα","","0.0321","0.0315","","","0.0872","0.0876","","","","","","0.986","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108788","10.3748","0.0015","15.862","0.003","10.7396","0.0016","90","","99.82","0.004","90","","1741.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C72 H72 N16 O24 -","4","1","","Neel H. Shah; Glenn L. Butterfoss; Khanh Nguyen; Barney Yoo; Richard Bonneau; Dallas L. Rabenstein; Kent Kirshenbaum","Oligo(N-aryl glycines): A New Twist on Structured Peptoids","Journal of the American Chemical Society","2008","130","","16622","16632","10.1021/ja804580n","","","0.71073","MoKα","","0.0475","0.035","","","0.0845","0.099","","","","","","1.071","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108789","30.537","0.017","14.227","0.008","31.856","0.018","90","","101.202","0.011","90","","13576","13","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C138 H115 K4 N9 O24 U4 -","- C138 H112 K4 N9 O24 U4 -","- C552 H448 K16 N36 O96 U16 -","4","0.5","","Grégory Nocton; Pawel Horeglad; Jacques Pécaut; Marinella Mazzanti","Polynuclear Cation-Cation Complexes of Pentavalent Uranyl: Relating Stability and Magnetic Properties to Structure","Journal of the American Chemical Society","2008","130","","16633","16645","10.1021/ja804766r","","","0.71073","MoKα","","0.0838","0.0697","","","0.1846","0.1913","","","","","","1.122","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108790","12.657","0.005","12.883","0.005","14.939","0.007","64.541","0.006","73.031","0.009","87.072","0.006","2095.8","1.5","223","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H92 K2 O24 U2 -","- C84 H92 K2 O24 U2 -","- C84 H92 K2 O24 U2 -","1","0.5","","Grégory Nocton; Pawel Horeglad; Jacques Pécaut; Marinella Mazzanti","Polynuclear Cation-Cation Complexes of Pentavalent Uranyl: Relating Stability and Magnetic Properties to Structure","Journal of the American Chemical Society","2008","130","","16633","16645","10.1021/ja804766r","","","0.71073","MoKα","","0.0395","0.0326","","","0.082","0.0842","","","","","","1.164","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4108791","10.7024","0.0007","10.9502","0.0007","23.4669","0.0015","80.043","0.001","52.828","0.001","89.314","0.001","2143.4","0.2","100","2","100","2","","","","","","","","3","P 1","P 1","1","1209 YY-056 1209a2n.CIF, neutron H positions calculated from the X-ray H-positions, unconventional unit cell (not reduced)","Cyclohexyl 4'-O-cyclohexyl-beta-D-glucopyranosyl- (1->-4)-beta-D-glucopyranoside, solvate with cyclohexane in 3:2 ratio","","- C84 H150 O33 -","- C84 H150 O33 -","- C84 H150 O33 -","1","1","","Yuko Yoneda; Kurt Mereiter; Christian Jaeger; Lothar Brecker; Paul Kosma; Thomas Rosenau; Alfred French","van der Waals versus Hydrogen-Bonding Forces in a Crystalline Analog of Cellotetraose: Cyclohexyl 4'-O-Cyclohexyl β-d-Cellobioside Cyclohexane Solvate","Journal of the American Chemical Society","2008","130","","16678","16690","10.1021/ja805147t","","","0.71073","MoKα","","0.0492","0.0451","","","0.1121","0.1161","","","","","","1.041","","","","has coordinates,has disorder","212006","2020-10-21","18:00:00",""
"4108792","8.3834","0.0009","13.102","0.002","14.396","0.002","90","","90","","90","","1581.2","0.4","293.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Br O3 -","- C15 H21 Br O3 -","- C60 H84 Br4 O12 -","4","1","","Byungsook Kim; Miseon Lee; Mi Jung Kim; Hyunjoo Lee; Sanghee Kim; Deukjoon Kim; Minseob Koh; Seung Bum Park; Kye Jung Shin","Biomimetic Asymmetric Total Synthesis of (-)-Laurefucin via an Organoselenium-Mediated Intramolecular Hydroxyetherification","Journal of the American Chemical Society","2008","130","","16807","16811","10.1021/ja806304s","","","0.7107","MoKα","","","0.06","","","","0.162","","","","","","0.984","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108793","5.7314","0.0005","13.9725","0.0013","17.716","0.0016","90","","90","","90","","1418.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br N2 O2 -","- C16 H13 Br N2 O2 -","- C64 H52 Br4 N8 O8 -","4","1","","Madhu Ganesh; Daniel Seidel","Catalytic Enantioselective Additions of Indoles to Nitroalkenes","Journal of the American Chemical Society","2008","130","","16464","16465","10.1021/ja8063292","","","0.71073","MoKα","","0.0244","0.0235","","","0.0601","0.0605","","","","","","1.002","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108794","4.4875","0.0004","6.9458","0.0007","12.8851","0.0012","75.995","0.002","87.823","0.002","86.401","0.002","388.8","0.06","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H16 N2 O S -","- C19 H16 N2 O S -","- C19 H16 N2 O S -","1","1","","Madhu Ganesh; Daniel Seidel","Catalytic Enantioselective Additions of Indoles to Nitroalkenes","Journal of the American Chemical Society","2008","130","","16464","16465","10.1021/ja8063292","","","0.71073","MoKα","","0.0513","0.0502","","","0.1266","0.1275","","","","","","1.008","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108795","13.9963","0.0012","12.9223","0.0011","10.2536","0.0009","90","","90.65","0.002","90","","1854.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 F3 N2 O3 S2 -","- C17 H19 F3 N2 O3 S2 -","- C68 H76 F12 N8 O12 S8 -","4","1","","Madhu Ganesh; Daniel Seidel","Catalytic Enantioselective Additions of Indoles to Nitroalkenes","Journal of the American Chemical Society","2008","130","","16464","16465","10.1021/ja8063292","","","0.71073","MoKα","","0.0445","0.0375","","","0.0914","0.0957","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108796","10.5097","0.0007","13.7167","0.0009","27.347","0.002","76.727","0.002","83.313","0.004","76.375","0.003","3720.9","0.4","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C104 H68 N6 O -","- C104 H67.9998 N6 O -","- C208 H136 N12 O2 -","2","1","","Zhao-Li Xue; Zhen Shen; John Mack; Daiki Kuzuhara; Hiroko Yamada; Tetsuo Okujima; Noboru Ono; Xiao-Zeng You; Nagao Kobayashi","A Facile One-Pot Synthesis of meso-Aryl-Substituted [14]Triphyrin(2.1.1)","Journal of the American Chemical Society","2008","130","","16478","16479","10.1021/ja8068769","","","0.71075","MoKα","","0.0806","0.0601","","","0.1299","0.1357","","","","","","0.996","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108797","14.3541","0.0016","14.7454","0.0014","22.349","0.003","90","","108.054","0.002","90","","4497.4","0.9","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H47 N3 O -","- C58 H46.99 N3 O -","- C232 H187.96 N12 O4 -","4","1","","Zhao-Li Xue; Zhen Shen; John Mack; Daiki Kuzuhara; Hiroko Yamada; Tetsuo Okujima; Noboru Ono; Xiao-Zeng You; Nagao Kobayashi","A Facile One-Pot Synthesis of meso-Aryl-Substituted [14]Triphyrin(2.1.1)","Journal of the American Chemical Society","2008","130","","16478","16479","10.1021/ja8068769","","","0.71075","MoKα","","0.0759","0.0544","","","0.1242","0.1305","","","","","","0.992","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108798","11.5086","0.0005","22.173","0.0009","25.2558","0.0011","90","","90","","90","","6444.8","0.5","298","","298","","","","","","","","","3","C m c m","-C 2c 2","63","Zeolite ITQ-34","","","- Ge0.09 O2 Si0.91 -","- Ge0.0959286 O2 Si0.904071 -","- Ge10.744 O224 Si101.256 -","112","7","","Avelino Corma; Maria J. Diaz-Cabanas; Jose L. Jorda; Fernando Rey; German Sastre; Karl G. Strohmaier","A Zeolitic Structure (ITQ-34) with Connected 9- and 10-Ring Channels Obtained with Phosphonium Cations as Structure Directing Agents","Journal of the American Chemical Society","2008","130","","16482","16483","10.1021/ja806903c","powder diffraction","","","CuKα","","","","","","","","","6.2573","","","","","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108799","10.8577","0.0003","19.0236","0.0006","20.0634","0.0006","90","","104.999","0.002","90","","4003","0.2","120","","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C43 H62 B Ni P3 -","- C43 H62 B Ni P3 -","- C172 H248 B4 Ni4 P12 -","4","1","","Marie Sircoglou; Sébastien Bontemps; Ghenwa Bouhadir; Nathalie Saffon; Karinne Miqueu; Weixing Gu; Maxime Mercy; Chun-Hsing Chen; Bruce M. Foxman; Laurent Maron; Oleg V. Ozerov; Didier Bourissou","Group 10 and 11 Metal Boratranes (Ni, Pd, Pt, CuCl, AgCl, AuCl, and Au+) Derived from a Triphosphine-Borane","Journal of the American Chemical Society","2008","130","","16729","16738","10.1021/ja8070072","","","0.71073","MoKα","","0.0281","0.0261","","0.0623","0.0618","0.0623","","","","","","0.9909","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108800","11.0591","0.0005","11.2426","0.0006","16.7043","0.0008","76.909","0.002","78.583","0.002","60.716","0.002","1755.09","0.15","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 B P3 Pd -","- C36 H54 B P3 Pd -","- C72 H108 B2 P6 Pd2 -","2","1","","Marie Sircoglou; Sébastien Bontemps; Ghenwa Bouhadir; Nathalie Saffon; Karinne Miqueu; Weixing Gu; Maxime Mercy; Chun-Hsing Chen; Bruce M. Foxman; Laurent Maron; Oleg V. Ozerov; Didier Bourissou","Group 10 and 11 Metal Boratranes (Ni, Pd, Pt, CuCl, AgCl, AuCl, and Au+) Derived from a Triphosphine-Borane","Journal of the American Chemical Society","2008","130","","16729","16738","10.1021/ja8070072","","","0.71073","MoKα","","0.0365","0.0327","","0.0914","0.0882","0.0914","","","","","","0.9776","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108801","17.8985","0.0004","17.8985","0.0004","25.1626","0.0011","90","","90","","120","","6981","0.4","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C39 H60 Ag B Cl7 P3 -","- C39 H60 Ag B Cl7 P3 -","- C234 H360 Ag6 B6 Cl42 P18 -","6","0.333333","","Marie Sircoglou; Sébastien Bontemps; Ghenwa Bouhadir; Nathalie Saffon; Karinne Miqueu; Weixing Gu; Maxime Mercy; Chun-Hsing Chen; Bruce M. Foxman; Laurent Maron; Oleg V. Ozerov; Didier Bourissou","Group 10 and 11 Metal Boratranes (Ni, Pd, Pt, CuCl, AgCl, AuCl, and Au+) Derived from a Triphosphine-Borane","Journal of the American Chemical Society","2008","130","","16729","16738","10.1021/ja8070072","","","0.71073","MoKα","","0.0242","0.0199","","","0.0509","0.0531","","","","","","1.038","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108802","17.751","0.0004","17.751","0.0004","25.16","0.0012","90","","90","","120","","6865.7","0.4","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C39 H60 B Cl7 Cu P3 -","- C39 H60 B Cl7 Cu P3 -","- C234 H360 B6 Cl42 Cu6 P18 -","6","0.333333","","Marie Sircoglou; Sébastien Bontemps; Ghenwa Bouhadir; Nathalie Saffon; Karinne Miqueu; Weixing Gu; Maxime Mercy; Chun-Hsing Chen; Bruce M. Foxman; Laurent Maron; Oleg V. Ozerov; Didier Bourissou","Group 10 and 11 Metal Boratranes (Ni, Pd, Pt, CuCl, AgCl, AuCl, and Au+) Derived from a Triphosphine-Borane","Journal of the American Chemical Society","2008","130","","16729","16738","10.1021/ja8070072","","","0.71073","MoKα","","0.03","0.0252","","","0.0661","0.0691","","","","","","1.058","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108803","11.1685","0.001","14.4053","0.0014","15.9131","0.0014","81.638","0.002","70.938","0.002","68.797","0.002","2254.9","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H56 Au B Cl6 Ga P3 -","- C37 H56 Au B Cl6 Ga P3 -","- C74 H112 Au2 B2 Cl12 Ga2 P6 -","2","1","","Marie Sircoglou; Sébastien Bontemps; Ghenwa Bouhadir; Nathalie Saffon; Karinne Miqueu; Weixing Gu; Maxime Mercy; Chun-Hsing Chen; Bruce M. Foxman; Laurent Maron; Oleg V. Ozerov; Didier Bourissou","Group 10 and 11 Metal Boratranes (Ni, Pd, Pt, CuCl, AgCl, AuCl, and Au+) Derived from a Triphosphine-Borane","Journal of the American Chemical Society","2008","130","","16729","16738","10.1021/ja8070072","","","0.71073","MoKα","","0.064","0.0483","","","0.1132","0.1213","","","","","","1.019","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108804","9.4977","0.001","30.723","0.004","9.5901","0.0011","90","","90","","90","","2798.4","0.6","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H40 Ir N3 P2 -","- C26 H40 Ir N3 P2 -","- C104 H160 Ir4 N12 P8 -","4","1","","Matthew T. Whited; Robert H. Grubbs","A Catalytic Cycle for Oxidation of tert-Butyl Methyl Ether by a Double C-H Activation-Group Transfer Process","Journal of the American Chemical Society","2008","130","","16476","16477","10.1021/ja8071385","","","0.71073","MoKα","","0.0861","0.0383","","","0.0512","0.0575","","","","","","1.065","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108805","13.8471","0.0018","16.144","0.002","24.435","0.003","88.172","0.003","88.307","0.003","87.923","0.002","5453.8","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 Cl0.5 N8 Ni O0.75 -","- C22.5 H25.5 N2.5 Ni0.5 O2 -","- C180 H204 N20 Ni4 O16 -","8","4","","Jongwoo Park; Kai Lang; Khalil A. Abboud; Sukwon Hong","Self-Assembled Dinuclear Cobalt(II)-Salen Catalyst Through Hydrogen-Bonding and Its Application to Enantioselective Nitro-Aldol (Henry) Reaction","Journal of the American Chemical Society","2008","130","","16484","16485","10.1021/ja807221s","","","0.71073","MoKα","","0.1212","0.0783","","","0.1905","0.2047","","","","","","0.955","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108806","16.4925","0.0013","16.4925","0.0013","8.4974","0.0013","90","","90","","90","","2311.3","0.4","295","2","295","2","","","","","","","","3","P 4 n c","P 4 -2n","104","","","","- C14 H16 O -","- C14 H16 O -","- C112 H128 O8 -","8","1","","Sabyasachi Bhunia; Rai-Shung Liu","Gold-Catalyzed 1,3-Addition of a sp3-Hybridized C-H Bond to Alkenylcarbenoid Intermediate","Journal of the American Chemical Society","2008","130","","16488","16489","10.1021/ja807384a","","","0.71073","MoKα","","0.0564","0.0387","","","0.0866","0.0938","","","","","","0.911","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108807","14.683","0.001","15.244","0.001","18.748","0.001","112.132","0.001","102.516","0.001","91.066","0.001","3771.4","0.4","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O6 -","- C21 H21 N O6 -","- C168 H168 N8 O48 -","8","4","","Jing Chen; Anne J. McNeil","Analyte-Triggered Gelation: Initiating Self-Assembly via Oxidation-Induced Planarization","Journal of the American Chemical Society","2008","130","","16496","16497","10.1021/ja807651a","","","0.71073","MoKα","","0.0538","0.0399","","","0.1038","0.1126","","","","","","1.022","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108808","7.316","0.0014","9.663","0.0019","13.434","0.003","98.369","0.003","97.204","0.003","91.651","0.003","931.1","0.3","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O6 -","- C21 H23 N O6 -","- C42 H46 N2 O12 -","2","1","","Jing Chen; Anne J. McNeil","Analyte-Triggered Gelation: Initiating Self-Assembly via Oxidation-Induced Planarization","Journal of the American Chemical Society","2008","130","","16496","16497","10.1021/ja807651a","","","0.71073","MoKα","","0.054","0.0429","","","0.1121","0.1183","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108809","9.352","0.003","17.763","0.005","18.934","0.006","90","","102.44","0.005","90","","3071.5","1.6","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H29 N2 P Pd S -","- C41 H29 N2 P Pd S -","- C164 H116 N8 P4 Pd4 S4 -","4","1","","Yoshihiro Matano; Takashi Nakabuchi; Shinya Fujishige; Haruyuki Nakano; Hiroshi Imahori","Redox-Coupled Complexation of 23-Phospha-21-thiaporphyrin with Group 10 Metals: A Convenient Access to Stable Core-Modified Isophlorin-Metal Complexes","Journal of the American Chemical Society","2008","130","","16446","16447","10.1021/ja807742g","","","0.7107","MoKα","","0.0636","0.0528","","","0.1004","0.1061","","","","","","1.01","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108810","10.7024","0.0007","10.9502","0.0007","23.4669","0.0015","80.043","0.001","52.828","0.001","89.314","0.001","2143.4","0.2","100","2","100","2","","","","","","","","3","P 1","P 1","1","1209 YY-056 1209a2.CIF, X-ray H positions, unconventional unit cell (not reduced)","Cyclohexyl 4'-O-cyclohexyl-beta-D-glucopyranosyl- (1->-4)-beta-D-glucopyranoside, solvate with cyclohexane in 3:2 ratio","","- C84 H150 O33 -","- C84 H150 O33 -","- C84 H150 O33 -","1","1","","Yuko Yoneda; Kurt Mereiter; Christian Jaeger; Lothar Brecker; Paul Kosma; Thomas Rosenau; Alfred French","van der Waals versus Hydrogen-Bonding Forces in a Crystalline Analog of Cellotetraose: Cyclohexyl 4'-O-Cyclohexyl β-d-Cellobioside Cyclohexane Solvate","Journal of the American Chemical Society","2008","130","","16678","16690","10.1021/ja805147t","","","0.71073","MoKα","","0.0492","0.0451","","","0.1121","0.1161","","","","","","1.041","","4108791","","has coordinates,has disorder","215354","2020-10-21","18:00:00",""
"4108811","10.8425","0.0015","9.7909","0.0015","15.057","0.002","90","","105.699","0.006","90","","1538.8","0.4","128","2","128","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","KY4-106","methyl (1R*,7S*)-1-(1-oxoethyl)-2-methylene-7-phenylcycloheptanecarboxylate","","- C19 H22 O3 -","- C18 H22 O3 -","- C72 H88 O12 -","4","1","","Yoshimitsu Itoh; Hayato Tsuji; Ken-ichi Yamagata; Kohei Endo; Iku Tanaka; Masaharu Nakamura; Eiichi Nakamura","Efficient Formation of Ring Structures Utilizing Multisite Activation by Indium Catalysis","Journal of the American Chemical Society","2008","130","","17161","17167","10.1021/ja805657h","","","0.7107","MoKα","","0.0478","0.0382","","","0.1036","0.1092","","","","","","1.104","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108812","10.8158","0.0006","12.6567","0.0007","16.287","0.0011","90","","90","","90","","2229.6","0.2","200","2","200","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C8 H24 Fe4 N6 O4 S4 -","- C8 H24 Fe4 N6 O4 S4 -","- C32 H96 Fe16 N24 O16 S16 -","4","0.5","","Chih-Chin Tsou; Zong-Sian Lin; Tsai-Te Lu; Wen-Feng Liaw","Transformation of Dinitrosyl Iron Complexes [(NO)2Fe(SR)2]- (R = Et, Ph) into [4Fe-4S] Clusters [Fe4S4(SPh)4]2-: Relevance to the Repair of the Nitric Oxide-Modified Ferredoxin [4Fe-4S] Clusters","Journal of the American Chemical Society","2008","130","","17154","17160","10.1021/ja806050x","","","0.71073","MoKα","","0.1016","0.0538","","","0.1218","0.1605","","","","","","1.094","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108813","16.416","0.003","14.519","0.002","16.745","0.003","90","","118.479","0.002","90","","3508.1","1","173.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 Cl Fe N2 -","- C38 H47 Cl Fe N2 -","- C152 H188 Cl4 Fe4 N8 -","4","1","","Yasuhiro Ohki; Tsubasa Hatanaka; Kazuyuki Tatsumi","C-H Bond Activation of Heteroarenes Mediated by a Half-Sandwich Iron Complex of N-Heterocyclic Carbene","Journal of the American Chemical Society","2008","130","","17174","17186","10.1021/ja8063028","","","0.7107","MoKα","","","0.0452","","","","0.0567","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108814","28.804","0.008","10.617","0.003","14.556","0.004","90","","90","","90","","4451","2","173.1","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H35 Cl Fe N2 -","- C21 H35 Cl Fe N2 -","- C168 H280 Cl8 Fe8 N16 -","8","1","","Yasuhiro Ohki; Tsubasa Hatanaka; Kazuyuki Tatsumi","C-H Bond Activation of Heteroarenes Mediated by a Half-Sandwich Iron Complex of N-Heterocyclic Carbene","Journal of the American Chemical Society","2008","130","","17174","17186","10.1021/ja8063028","","","0.7107","MoKα","","","0.0411","","","","0.056","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108815","12.562","0.003","14.724","0.003","15.912","0.003","90","","107.457","0.004","90","","2807.6","1","173.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H42 Fe N2 -","- C32 H42 Fe N2 -","- C128 H168 Fe4 N8 -","4","1","","Yasuhiro Ohki; Tsubasa Hatanaka; Kazuyuki Tatsumi","C-H Bond Activation of Heteroarenes Mediated by a Half-Sandwich Iron Complex of N-Heterocyclic Carbene","Journal of the American Chemical Society","2008","130","","17174","17186","10.1021/ja8063028","","","0.7107","MoKα","","","0.0397","","","","0.0665","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108816","13.078","0.005","13.533","0.004","18.648","0.007","90","","108.835","0.007","90","","3123.7","1.9","173.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H44 Fe N2 -","- C37 H44 Fe N2 -","- C148 H176 Fe4 N8 -","4","1","","Yasuhiro Ohki; Tsubasa Hatanaka; Kazuyuki Tatsumi","C-H Bond Activation of Heteroarenes Mediated by a Half-Sandwich Iron Complex of N-Heterocyclic Carbene","Journal of the American Chemical Society","2008","130","","17174","17186","10.1021/ja8063028","","","0.7107","MoKα","","","0.0534","","","","0.078","","","","","","1.24","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108817","13.177","0.003","12.491","0.003","16.988","0.003","90","","99.092","0.003","90","","2761","1","173.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Fe N2 O -","- C32 H38 Fe N2 O -","- C128 H152 Fe4 N8 O4 -","4","1","","Yasuhiro Ohki; Tsubasa Hatanaka; Kazuyuki Tatsumi","C-H Bond Activation of Heteroarenes Mediated by a Half-Sandwich Iron Complex of N-Heterocyclic Carbene","Journal of the American Chemical Society","2008","130","","17174","17186","10.1021/ja8063028","","","0.7107","MoKα","","","0.0338","","","","0.0511","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108818","9.957","0.002","11.791","0.003","17.63","0.004","90","","90.031","0.003","90","","2069.8","0.8","173.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 Fe N2 -","- C21 H28 Fe N2 -","- C84 H112 Fe4 N8 -","4","1","","Yasuhiro Ohki; Tsubasa Hatanaka; Kazuyuki Tatsumi","C-H Bond Activation of Heteroarenes Mediated by a Half-Sandwich Iron Complex of N-Heterocyclic Carbene","Journal of the American Chemical Society","2008","130","","17174","17186","10.1021/ja8063028","","","0.7107","MoKα","","","0.0815","","","","0.1077","","","","","","1.444","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108819","9.257","0.007","10.883","0.007","12.182","0.008","101.044","0.006","110.649","0.003","109.369","0.008","1015.1","1.2","173.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H34 Fe N3 -","- C21 H34 Fe N3 -","- C42 H68 Fe2 N6 -","2","1","","Yasuhiro Ohki; Tsubasa Hatanaka; Kazuyuki Tatsumi","C-H Bond Activation of Heteroarenes Mediated by a Half-Sandwich Iron Complex of N-Heterocyclic Carbene","Journal of the American Chemical Society","2008","130","","17174","17186","10.1021/ja8063028","","","0.7107","MoKα","","","0.0303","","","","0.047","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108820","17.646","0.003","14.218","0.003","9.5866","0.0016","90","","90","","90","","2405.2","0.8","173.1","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H38 Fe N2 S -","- C25 H38 Fe N2 S -","- C100 H152 Fe4 N8 S4 -","4","0.5","","Yasuhiro Ohki; Tsubasa Hatanaka; Kazuyuki Tatsumi","C-H Bond Activation of Heteroarenes Mediated by a Half-Sandwich Iron Complex of N-Heterocyclic Carbene","Journal of the American Chemical Society","2008","130","","17174","17186","10.1021/ja8063028","","","0.7107","MoKα","","","0.0281","","","","0.039","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108821","11.583","0.003","13.746","0.003","17.565","0.004","90","","105.828","0.003","90","","2690.7","1.1","173.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H44 Fe N2 O -","- C27.5 H29 Fe N2 O -","- C110 H116 Fe4 N8 O4 -","4","1","","Yasuhiro Ohki; Tsubasa Hatanaka; Kazuyuki Tatsumi","C-H Bond Activation of Heteroarenes Mediated by a Half-Sandwich Iron Complex of N-Heterocyclic Carbene","Journal of the American Chemical Society","2008","130","","17174","17186","10.1021/ja8063028","","","0.7107","MoKα","","","0.0687","","","","0.1228","","","","","","1.291","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108822","8.696","0.002","9.286","0.003","17.219","0.005","76.553","0.012","84.382","0.019","80.048","0.015","1329.6","0.7","173.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H40 Fe N2 S -","- C29 H20 Fe N2 S -","- C58 H40 Fe2 N4 S2 -","2","1","","Yasuhiro Ohki; Tsubasa Hatanaka; Kazuyuki Tatsumi","C-H Bond Activation of Heteroarenes Mediated by a Half-Sandwich Iron Complex of N-Heterocyclic Carbene","Journal of the American Chemical Society","2008","130","","17174","17186","10.1021/ja8063028","","","0.7107","MoKα","","","0.0499","","","","0.0737","","","","","","1.387","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108823","11.626","0.003","14.076","0.003","18.009","0.004","90","","99.585","0.003","90","","2906","1.2","173.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H48 Fe N4 -","- C31 H48 Fe N4 -","- C124 H192 Fe4 N16 -","4","1","","Yasuhiro Ohki; Tsubasa Hatanaka; Kazuyuki Tatsumi","C-H Bond Activation of Heteroarenes Mediated by a Half-Sandwich Iron Complex of N-Heterocyclic Carbene","Journal of the American Chemical Society","2008","130","","17174","17186","10.1021/ja8063028","","","0.7107","MoKα","","","0.0394","","","","0.0581","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108824","16.603","0.003","13.69","0.003","11.323","0.002","90","","90","","90","","2573.7","0.9","173.1","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C27 H41 B Fe N2 O2 -","- C27 H41 B Fe N2 O2 -","- C108 H164 B4 Fe4 N8 O8 -","4","0.5","","Yasuhiro Ohki; Tsubasa Hatanaka; Kazuyuki Tatsumi","C-H Bond Activation of Heteroarenes Mediated by a Half-Sandwich Iron Complex of N-Heterocyclic Carbene","Journal of the American Chemical Society","2008","130","","17174","17186","10.1021/ja8063028","","","0.7107","MoKα","","","0.0558","","","","0.0712","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108825","11.2542","0.0013","16.9402","0.0019","13.5726","0.0016","90","","90.0129","0.0017","90","","2587.6","0.5","173.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H40 Fe N2 O -","- C29 H40 Fe N2 O -","- C116 H160 Fe4 N8 O4 -","4","1","","Yasuhiro Ohki; Tsubasa Hatanaka; Kazuyuki Tatsumi","C-H Bond Activation of Heteroarenes Mediated by a Half-Sandwich Iron Complex of N-Heterocyclic Carbene","Journal of the American Chemical Society","2008","130","","17174","17186","10.1021/ja8063028","","","0.7107","MoKα","","","0.1858","","","","0.3122","","","","","","1.406","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108826","30.02","0.12","41.81","0.16","8.44","0.03","90","","90","","90","","10593","7","173.1","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C31 H39 Fe N2 -","- C31 Fe N2 -","- C496 Fe16 N32 -","16","1","","Yasuhiro Ohki; Tsubasa Hatanaka; Kazuyuki Tatsumi","C-H Bond Activation of Heteroarenes Mediated by a Half-Sandwich Iron Complex of N-Heterocyclic Carbene","Journal of the American Chemical Society","2008","130","","17174","17186","10.1021/ja8063028","","","0.7107","MoKα","","","0.2438","","","","0.2745","","","","","","3.386","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108827","20.048","0.003","19.537","0.002","30.521","0.004","90","","96.874","0.002","90","","11868","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tetrakis[4-(carboxyphenyl)oxamethyl]methane","","","- C94 H81.5 N7 O30 Zn4 -","- C94 H81.5 N7 O30.02 Zn4 -","- C376 H326 N28 O120.08 Zn16 -","4","0.5","","Praveen K. Thallapally; Jian Tian; Motkuri Radha Kishan; Carlos A. Fernandez; Scott J. Dalgarno; Peter B. McGrail; John E. Warren; Jerry L. Atwood","Flexible (Breathing) Interpenetrated Metal-Organic Frameworks for CO2 Separation Applications","Journal of the American Chemical Society","2008","130","","16842","16843","10.1021/ja806391k","","","0.671","","","0.0969","0.08","","","0.2392","0.2482","","","","","","1.793","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108828","12.0885","0.0005","11.7834","0.0005","10.4501","0.0006","90","","90","","90","","1488.55","0.12","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C5 H15 B N2 -","- C5 H15 B N2 -","- C40 H120 B8 N16 -","8","2","","Dominik Wechsler; Yi Cui; Darrell Dean; Boyd Davis; Philip G. Jessop","Production of H2 from Combined Endothermic and Exothermic Hydrogen Carriers","Journal of the American Chemical Society","2008","130","","17195","17203","10.1021/ja806721s","","","0.71073","MoKα","","0.0345","0.0312","","","0.0781","0.0806","","","","","","1.065","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108829","11.3241","0.0017","20.604","0.003","35.073","0.006","90","","90","","90","","8183","2","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C77 H57 K3 N4 O23 S6 -","- C77 H57 K3 N4 O23 S6 -","- C308 H228 K12 N16 O92 S24 -","4","1","","Manabu Hatano; Toshikatsu Maki; Katsuhiko Moriyama; Manabu Arinobe; Kazuaki Ishihara","Pyridinium 1,1'-Binaphthyl-2,2'-disulfonates as Highly Effective Chiral Brønsted Acid-Base Combined Salt Catalysts for Enantioselective Mannich-Type Reaction","Journal of the American Chemical Society","2008","130","","16858","16860","10.1021/ja806875c","","","0.71073","MoKα","","0.0979","0.0753","","","0.2221","0.2439","","","","","","1.071","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108830","6.001","0.005","10.898","0.005","29.128","0.005","90","0.005","90","0.005","90","0.005","1904.9","1.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[2-Acetyl-1-(4-bromo-phenyl)-2-hydroxy-3-oxo-butyl] -carbamic acid benzyl ester","","","- C20 H20 Br N O5 -","- C20 H20 Br N O5 -","- C80 H80 Br4 N4 O20 -","4","1","","Manabu Hatano; Toshikatsu Maki; Katsuhiko Moriyama; Manabu Arinobe; Kazuaki Ishihara","Pyridinium 1,1'-Binaphthyl-2,2'-disulfonates as Highly Effective Chiral Brønsted Acid-Base Combined Salt Catalysts for Enantioselective Mannich-Type Reaction","Journal of the American Chemical Society","2008","130","","16858","16860","10.1021/ja806875c","","","0.71069","MoKα","","0.0361","0.0312","","","0.0741","0.0759","","","","","","1.003","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108831","9.9855","0.0017","8.2071","0.0014","24.322","0.004","90","","90.099","0.003","90","","1993.2","0.6","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","(1R,2R)-[3-Oxo-2-(2-oxo-oxazolidine-3-carbonyl) -1-phenyl-butyl]-carbamic acid benzyl ester","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","2","","Manabu Hatano; Toshikatsu Maki; Katsuhiko Moriyama; Manabu Arinobe; Kazuaki Ishihara","Pyridinium 1,1'-Binaphthyl-2,2'-disulfonates as Highly Effective Chiral Brønsted Acid-Base Combined Salt Catalysts for Enantioselective Mannich-Type Reaction","Journal of the American Chemical Society","2008","130","","16858","16860","10.1021/ja806875c","","","0.71073","MoKα","","0.0386","0.0355","","","0.0885","0.0908","","","","","","1.058","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108832","7.2563","0.0003","20.5934","0.0009","21.5442","0.0009","90","","106.777","0.003","90","","3082.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 Cr2 N24 -","- C54 H60 Cr2 N24 -","- C108 H120 Cr4 N48 -","2","0.5","","Pierre Dechambenoit; Sylvie Ferlay; Nathalie Kyritsakas; Mir Wais Hosseini","Molecular Tectonics: Control of Reversible Water Release in Porous Charge-Assisted H-Bonded Networks","Journal of the American Chemical Society","2008","130","","17106","17113","10.1021/ja806916t","","","0.71073","MoKα","","0.1183","0.0576","","","0.1329","0.1578","","","","","","1.027","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108833","7.0949","0.0003","12.3765","0.0005","17.9534","0.0007","83.58","0.002","87.6101","0.001","83.934","0.001","1557.12","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H74 Fe2 N24 O7 -","- C54 H66 Fe2 N24 O7 -","- C54 H66 Fe2 N24 O7 -","1","0.5","","Pierre Dechambenoit; Sylvie Ferlay; Nathalie Kyritsakas; Mir Wais Hosseini","Molecular Tectonics: Control of Reversible Water Release in Porous Charge-Assisted H-Bonded Networks","Journal of the American Chemical Society","2008","130","","17106","17113","10.1021/ja806916t","","","0.71073","MoKα","","0.0814","0.0588","","","0.154","0.1728","","","","","","1.087","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108834","7.0982","0.0004","12.3509","0.0007","17.8586","0.001","83.535","0.002","87.428","0.001","83.967","0.002","1546.21","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H74 Co2 N24 O7 -","- C54 H66 Co2 N24 O7 -","- C54 H66 Co2 N24 O7 -","1","0.5","","Pierre Dechambenoit; Sylvie Ferlay; Nathalie Kyritsakas; Mir Wais Hosseini","Molecular Tectonics: Control of Reversible Water Release in Porous Charge-Assisted H-Bonded Networks","Journal of the American Chemical Society","2008","130","","17106","17113","10.1021/ja806916t","","","0.71073","MoKα","","0.0718","0.0517","","","0.1352","0.1533","","","","","","1.015","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108835","7.1142","0.0004","21.4319","0.0013","20.9403","0.0013","90","","91.702","0.002","90","","3191.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H74 Cr2 N24 O7 -","- C54 H74 Cr2 N24 O7 -","- C108 H148 Cr4 N48 O14 -","2","0.5","","Pierre Dechambenoit; Sylvie Ferlay; Nathalie Kyritsakas; Mir Wais Hosseini","Molecular Tectonics: Control of Reversible Water Release in Porous Charge-Assisted H-Bonded Networks","Journal of the American Chemical Society","2008","130","","17106","17113","10.1021/ja806916t","","","0.71073","MoKα","","0.1085","0.0631","","","0.1492","0.1825","","","","","","1.042","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108836","7.2526","0.0009","19.894","0.003","20.773","0.003","90","","93.909","0.004","90","","2990.2","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 Cr N12 O3 -","- C27 H24 Cr N12 O3 -","- C108 H96 Cr4 N48 O12 -","4","1","","Pierre Dechambenoit; Sylvie Ferlay; Nathalie Kyritsakas; Mir Wais Hosseini","Molecular Tectonics: Control of Reversible Water Release in Porous Charge-Assisted H-Bonded Networks","Journal of the American Chemical Society","2008","130","","17106","17113","10.1021/ja806916t","","","0.71073","MoKα","","0.2541","0.0731","","","0.1377","0.2139","","","","","","1.02","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108837","7.2655","0.001","19.6845","0.0018","20.427","0.003","90","","93.837","0.007","90","","2914.9","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 Fe N12 O3 -","- C27 H24 Fe N12 O3 -","- C108 H96 Fe4 N48 O12 -","4","1","","Pierre Dechambenoit; Sylvie Ferlay; Nathalie Kyritsakas; Mir Wais Hosseini","Molecular Tectonics: Control of Reversible Water Release in Porous Charge-Assisted H-Bonded Networks","Journal of the American Chemical Society","2008","130","","17106","17113","10.1021/ja806916t","","","0.71073","MoKα","","0.3045","0.1084","","","0.2008","0.2797","","","","","","1.055","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108838","7.2138","0.0006","12.1706","0.0011","17.309","0.0016","84.987","0.002","89.044","0.003","83.821","0.002","1505","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H60 Fe2 N24 -","- C54 H60 Fe2 N24 -","- C54 H60 Fe2 N24 -","1","0.5","","Pierre Dechambenoit; Sylvie Ferlay; Nathalie Kyritsakas; Mir Wais Hosseini","Molecular Tectonics: Control of Reversible Water Release in Porous Charge-Assisted H-Bonded Networks","Journal of the American Chemical Society","2008","130","","17106","17113","10.1021/ja806916t","","","0.71073","MoKα","","0.093","0.0487","","","0.0656","0.0718","","","","","","1.283","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108839","7.2141","0.0004","12.1497","0.0008","17.2052","0.0013","84.582","0.004","88.96","0.004","84.052","0.004","1493.15","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H60 Co2 N24 -","- C54 H60 Co2 N24 -","- C54 H60 Co2 N24 -","1","0.5","","Pierre Dechambenoit; Sylvie Ferlay; Nathalie Kyritsakas; Mir Wais Hosseini","Molecular Tectonics: Control of Reversible Water Release in Porous Charge-Assisted H-Bonded Networks","Journal of the American Chemical Society","2008","130","","17106","17113","10.1021/ja806916t","","","0.71073","MoKα","","0.1379","0.068","","","0.1604","0.1918","","","","","","1.013","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108840","7.2886","0.0002","19.5917","0.0005","20.3127","0.0005","90","","93.611","0.002","90","","2894.81","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 Co N12 O3 -","- C27 H24 Co N12 O3 -","- C108 H96 Co4 N48 O12 -","4","1","","Pierre Dechambenoit; Sylvie Ferlay; Nathalie Kyritsakas; Mir Wais Hosseini","Molecular Tectonics: Control of Reversible Water Release in Porous Charge-Assisted H-Bonded Networks","Journal of the American Chemical Society","2008","130","","17106","17113","10.1021/ja806916t","","","0.71073","MoKα","","0.0846","0.0443","","","0.1118","0.1286","","","","","","1.042","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108841","7.0978","0.0005","22.2254","0.0016","20.6357","0.0012","90","","92.363","0.003","90","","3252.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H76 Fe2 N24 O14 -","- C54 H76 Fe2 N24 O14 -","- C108 H152 Fe4 N48 O28 -","2","0.5","","Pierre Dechambenoit; Sylvie Ferlay; Nathalie Kyritsakas; Mir Wais Hosseini","Molecular Tectonics: Control of Reversible Water Release in Porous Charge-Assisted H-Bonded Networks","Journal of the American Chemical Society","2008","130","","17106","17113","10.1021/ja806916t","","","0.71073","MoKα","","0.0944","0.0503","","","0.1314","0.1601","","","","","","1.022","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108842","7.118","0.001","22.252","0.004","20.508","0.004","90","","92.239","0.006","90","","3245.8","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H76 Co2 N24 O14 -","- C54 H76 Co2 N24 O14 -","- C108 H152 Co4 N48 O28 -","2","0.5","","Pierre Dechambenoit; Sylvie Ferlay; Nathalie Kyritsakas; Mir Wais Hosseini","Molecular Tectonics: Control of Reversible Water Release in Porous Charge-Assisted H-Bonded Networks","Journal of the American Chemical Society","2008","130","","17106","17113","10.1021/ja806916t","","","0.71073","MoKα","","0.1019","0.0513","","","0.1191","0.1376","","","","","","1.012","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108843","7.119","0.0002","22.325","0.0006","21.011","0.0006","90","","92.819","0.0017","90","","3335.27","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H76 Cr2 N24 O14 -","- C54 H76 Cr2 N24 O14 -","- C108 H152 Cr4 N48 O28 -","2","0.5","","Pierre Dechambenoit; Sylvie Ferlay; Nathalie Kyritsakas; Mir Wais Hosseini","Molecular Tectonics: Control of Reversible Water Release in Porous Charge-Assisted H-Bonded Networks","Journal of the American Chemical Society","2008","130","","17106","17113","10.1021/ja806916t","","","0.71073","MoKα","","0.101","0.0549","","","0.1138","0.1299","","","","","","1.028","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108844","10.566","0.003","11.45","0.003","13.4","0.003","110.076","0.004","103.1","0.002","98.843","0.002","1434.7","0.6","123.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H32 F3 Ir N2 O6 S -","- C27 H32 F3 Ir N2 O6 S -","- C54 H64 F6 Ir2 N4 O12 S2 -","2","1","","Hironobu Kanemitsu; Keiji Uehara; Shunichi Fukuzumi; Seiji Ogo","Isolation and Crystal Structures of Both Enol and Keto Tautomer Intermediates in a Hydration of an Alkyne-Carboxylic Acid Ester Catalyzed by Iridium Complexes in Water","Journal of the American Chemical Society","2008","130","","17141","17147","10.1021/ja807254d","","","0.7107","MoKα","","","0.0302","","","","0.076","","","","","","0.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108845","14.7539","0.0009","12.9194","0.0005","16.236","0.001","90","","105.899","0.003","90","","2976.4","0.3","123.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 F6 Ir N2 O4 P -","- C27 H36 F6 Ir N2 O4 P -","- C108 H144 F24 Ir4 N8 O16 P4 -","4","1","","Hironobu Kanemitsu; Keiji Uehara; Shunichi Fukuzumi; Seiji Ogo","Isolation and Crystal Structures of Both Enol and Keto Tautomer Intermediates in a Hydration of an Alkyne-Carboxylic Acid Ester Catalyzed by Iridium Complexes in Water","Journal of the American Chemical Society","2008","130","","17141","17147","10.1021/ja807254d","","","0.7107","MoKα","","","0.0256","","","","0.0746","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108846","7.729","0.001","12.317","0.0012","14.172","0.0013","85.373","0.001","76.905","0.001","87.755","0.002","1309.5","0.2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C18 H25 B F3 N8 O4 P S W -","- C18 H25 B F3 N8 O4 P S W -","- C36 H50 B2 F6 N16 O8 P2 S2 W2 -","2","1","","Daniel P. Harrison; Kevin D. Welch; Adam C. Nichols-Nielander; Michal Sabat; William H. Myers; W. Dean Harman","Efficient Synthesis of an η2-Pyridine Complex and a Preliminary Investigation of the Bound Heterocycle's Reactivity","Journal of the American Chemical Society","2008","130","","16844","16845","10.1021/ja807521d","","","0.71074","MoKα","","0.0636","0.0523","","","0.1393","0.1465","","","","","","1.119","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108847","10.283","0.0006","10.4018","0.0006","26.9845","0.0015","90","","99.849","0.001","90","","2843.8","0.3","273","2","273","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 B2 Cl3 N8 O P W -","- C18 H28 B2 Cl3 N8 O P W -","- C72 H112 B8 Cl12 N32 O4 P4 W4 -","4","1","","Daniel P. Harrison; Kevin D. Welch; Adam C. Nichols-Nielander; Michal Sabat; William H. Myers; W. Dean Harman","Efficient Synthesis of an η2-Pyridine Complex and a Preliminary Investigation of the Bound Heterocycle's Reactivity","Journal of the American Chemical Society","2008","130","","16844","16845","10.1021/ja807521d","","","0.71073","MoKα","","0.0569","0.0398","","","0.0895","0.0941","","","","","","0.916","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108848","7.6919","0.0003","18.7778","0.0007","19.2958","0.0007","90","","90","","90","","2787.03","0.18","293","2","293","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 B F3 N8 O5 P S W -","- C20 H27 B F3 N8 O5 P S W -","- C80 H108 B4 F12 N32 O20 P4 S4 W4 -","4","1","","Daniel P. Harrison; Kevin D. Welch; Adam C. Nichols-Nielander; Michal Sabat; William H. Myers; W. Dean Harman","Efficient Synthesis of an η2-Pyridine Complex and a Preliminary Investigation of the Bound Heterocycle's Reactivity","Journal of the American Chemical Society","2008","130","","16844","16845","10.1021/ja807521d","","","0.71073","MoKα","","0.0402","0.033","","","0.064","0.0657","","","","","","0.861","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108849","11.631","0.001","13.951","0.001","16.647","0.001","90","","91.69","0.002","90","","2700","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B N8 O3 P W -","- C22 H32 B N8 O3 P W -","- C88 H128 B4 N32 O12 P4 W4 -","4","1","","Daniel P. Harrison; Kevin D. Welch; Adam C. Nichols-Nielander; Michal Sabat; William H. Myers; W. Dean Harman","Efficient Synthesis of an η2-Pyridine Complex and a Preliminary Investigation of the Bound Heterocycle's Reactivity","Journal of the American Chemical Society","2008","130","","16844","16845","10.1021/ja807521d","","","0.71074","MoKα","","0.0892","0.056","","","0.1449","0.1582","","","","","","1.054","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108850","10.2881","0.0001","14.059","0.0001","18.7375","0.0002","90","","97.642","0.001","90","","2686.13","0.04","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 B N8 O3 P W -","- C22 H30 B N8 O3 P W -","- C88 H120 B4 N32 O12 P4 W4 -","4","1","","Daniel P. Harrison; Kevin D. Welch; Adam C. Nichols-Nielander; Michal Sabat; William H. Myers; W. Dean Harman","Efficient Synthesis of an η2-Pyridine Complex and a Preliminary Investigation of the Bound Heterocycle's Reactivity","Journal of the American Chemical Society","2008","130","","16844","16845","10.1021/ja807521d","","","0.71073","MoKα","","0.0291","0.0187","","","0.0358","0.0378","","","","","","1.033","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108851","17.516","0.0002","20.988","0.0004","18.377","0.0003","90","","101.865","0.001","90","","6611.52","0.18","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1,4,4-Tetrakis[bis(trimethylsilyl)methyl]-1,4-diisopropyl-2-tetrasilyne bis(trimethysilylisocyanide) complex","","- C42 H108 N2 Si14 -","- C42 H108 N2 Si14 -","- C168 H432 N8 Si56 -","4","1","","Katsuhiko Takeuchi; Masaaki Ichinohe; Akira Sekiguchi","Reactivity of the Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]2) toward Silylcyanide: Two Pathways To Form the Bis-Adduct [RSiSiR(CNSiMe3)2] with Some Silaketenimine Character and a 1,4-Diaza-2,3-disilabenzene Analogue","Journal of the American Chemical Society","2008","130","","16848","16849","10.1021/ja807974a","","","0.7107","MoKα","","0.0658","0.0562","","","0.1455","0.1534","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108852","9.627","0.0005","10.958","0.0003","14.608","0.0008","105.456","0.003","95.914","0.003","110.091","0.003","1362.31","0.12","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","meso-1,1,4,4-Tetrakis[bis(trimethylsilyl)methyl]- 3,4-dicyano-1,4-diisopropyltetrasilane","","- C36 H92 N2 Si12 -","- C36 H92 N2 Si12 -","- C36 H92 N2 Si12 -","1","0.5","","Katsuhiko Takeuchi; Masaaki Ichinohe; Akira Sekiguchi","Reactivity of the Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]2) toward Silylcyanide: Two Pathways To Form the Bis-Adduct [RSiSiR(CNSiMe3)2] with Some Silaketenimine Character and a 1,4-Diaza-2,3-disilabenzene Analogue","Journal of the American Chemical Society","2008","130","","16848","16849","10.1021/ja807974a","","","0.7107","MoKα","","0.0492","0.0432","","","0.1183","0.123","","","","","","1.024","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108853","9.9476","0.0019","36.449","0.007","20.012","0.004","90","","97.625","0.002","90","","7192","2","123.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H70 Cl4 N O11 P7 Ru -","- C72 H70 Cl4 N O11 P7 Ru -","- C288 H280 Cl16 N4 O44 P28 Ru4 -","4","1","","Yousuke Ikeda; Takafumi Yamaguchi; Keiichiro Kanao; Kazuhiro Kimura; Sou Kamimura; Yuichiro Mutoh; Yoshiaki Tanabe; Youichi Ishii","Formation of Vinylidenes from Internal Alkynes at a Cyclotriphosphato Ruthenium Complex","Journal of the American Chemical Society","2008","130","","16856","16857","10.1021/ja8080567","","","0.7107","MoKα","","","0.0787","","","","0.1796","","","","","","1.118","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108854","17.828","0.003","18.996","0.004","19.444","0.004","90","","90.293","0.003","90","","6585","2","123.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H70 N O13 P7 Ru -","- C66 H70 N O13 P7 Ru -","- C264 H280 N4 O52 P28 Ru4 -","4","1","","Yousuke Ikeda; Takafumi Yamaguchi; Keiichiro Kanao; Kazuhiro Kimura; Sou Kamimura; Yuichiro Mutoh; Yoshiaki Tanabe; Youichi Ishii","Formation of Vinylidenes from Internal Alkynes at a Cyclotriphosphato Ruthenium Complex","Journal of the American Chemical Society","2008","130","","16856","16857","10.1021/ja8080567","","","0.7107","MoKα","","","0.049","","","","0.138","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108855","9.8148","0.0018","16.692","0.003","20.779","0.004","85.009","0.005","82.014","0.004","84.929","0.005","3348.3","1.1","123.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C73 H70 N O11 P7 Ru -","- C73 H69 N O11 P7 Ru -","- C146 H138 N2 O22 P14 Ru2 -","2","1","","Yousuke Ikeda; Takafumi Yamaguchi; Keiichiro Kanao; Kazuhiro Kimura; Sou Kamimura; Yuichiro Mutoh; Yoshiaki Tanabe; Youichi Ishii","Formation of Vinylidenes from Internal Alkynes at a Cyclotriphosphato Ruthenium Complex","Journal of the American Chemical Society","2008","130","","16856","16857","10.1021/ja8080567","","","0.7107","MoKα","","","0.0608","","","","0.1369","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108856","21.3016","0.0016","21.595","0.0018","15.8181","0.0013","90","","99.408","0.002","90","","7178.6","1","117","2","117","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H116 Cl2 Cr2 N4 O -","- C75.87 H104.04 Cl2 Cr2 N4 O0.662 -","- C303.48 H416.16 Cl8 Cr8 N16 O2.648 -","4","0.5","","Hongjun Fan; Debashis Adhikari; Anas A. Saleh; Rodney L. Clark; Francisco J. Zuno-Cruz; Gloria Sanchez Cabrera; John C. Huffman; Maren Pink; Daniel J. Mindiola; Mu-Hyun Baik","Understanding and Predicting Distorted T- versus Y-Geometries for Neutral Chromous Complexes Supported by a Sterically Encumbering β-Diketiminate Ligand","Journal of the American Chemical Society","2008","130","","17351","17361","10.1021/ja803798b","","","0.71073","MoKα","","0.0605","0.034","","","0.0795","0.0903","","","","","","0.946","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108857","9.9035","0.0007","17.606","0.0012","21.5766","0.0016","90","","97.806","0.002","90","","3727.3","0.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H64 Cr N2 -","- C40 H64 Cr N2 -","- C160 H256 Cr4 N8 -","4","1","","Hongjun Fan; Debashis Adhikari; Anas A. Saleh; Rodney L. Clark; Francisco J. Zuno-Cruz; Gloria Sanchez Cabrera; John C. Huffman; Maren Pink; Daniel J. Mindiola; Mu-Hyun Baik","Understanding and Predicting Distorted T- versus Y-Geometries for Neutral Chromous Complexes Supported by a Sterically Encumbering β-Diketiminate Ligand","Journal of the American Chemical Society","2008","130","","17351","17361","10.1021/ja803798b","","","0.71073","MoKα","","0.0686","0.037","","","0.073","0.0819","","","","","","0.884","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108858","16.8123","0.0015","9.5254","0.0008","22.6128","0.0019","90","","108.231","0.002","90","","3439.5","0.5","122","2","122","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 Cr N2 -","- C36 H56 Cr N2 -","- C144 H224 Cr4 N8 -","4","0.5","","Hongjun Fan; Debashis Adhikari; Anas A. Saleh; Rodney L. Clark; Francisco J. Zuno-Cruz; Gloria Sanchez Cabrera; John C. Huffman; Maren Pink; Daniel J. Mindiola; Mu-Hyun Baik","Understanding and Predicting Distorted T- versus Y-Geometries for Neutral Chromous Complexes Supported by a Sterically Encumbering β-Diketiminate Ligand","Journal of the American Chemical Society","2008","130","","17351","17361","10.1021/ja803798b","","","0.71073","MoKα","","0.0664","0.0419","","","0.1004","0.1098","","","","","","0.954","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108859","24.296","0.003","18.01","0.002","16.747","0.0019","90","","109.941","0.004","90","","6888.6","1.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H58 Cr N2 -","- C37 H58 Cr N2 -","- C296 H464 Cr8 N16 -","8","2","","Hongjun Fan; Debashis Adhikari; Anas A. Saleh; Rodney L. Clark; Francisco J. Zuno-Cruz; Gloria Sanchez Cabrera; John C. Huffman; Maren Pink; Daniel J. Mindiola; Mu-Hyun Baik","Understanding and Predicting Distorted T- versus Y-Geometries for Neutral Chromous Complexes Supported by a Sterically Encumbering β-Diketiminate Ligand","Journal of the American Chemical Society","2008","130","","17351","17361","10.1021/ja803798b","","","0.71073","MoKα","","0.3157","0.0669","","","0.106","0.1473","","","","","","0.642","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108860","34.221","0.003","13.3963","0.0012","21.1992","0.0019","90","","90","","90","","9718.5","1.5","128","2","128","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C53 H76 Cr N2 Si -","- C53 H76 Cr N2 Si -","- C424 H608 Cr8 N16 Si8 -","8","1","","Hongjun Fan; Debashis Adhikari; Anas A. Saleh; Rodney L. Clark; Francisco J. Zuno-Cruz; Gloria Sanchez Cabrera; John C. Huffman; Maren Pink; Daniel J. Mindiola; Mu-Hyun Baik","Understanding and Predicting Distorted T- versus Y-Geometries for Neutral Chromous Complexes Supported by a Sterically Encumbering β-Diketiminate Ligand","Journal of the American Chemical Society","2008","130","","17351","17361","10.1021/ja803798b","","","0.71073","MoKα","","0.1184","0.0427","","","0.0764","0.0923","","","","","","0.804","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108861","10.0616","0.0011","10.1069","0.0011","21.264","0.002","91.477","0.003","93.136","0.003","94.606","0.003","2151.2","0.4","118","2","118","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H70 Cr N2 O -","- C47 H70 Cr N2 O -","- C94 H140 Cr2 N4 O2 -","2","1","","Hongjun Fan; Debashis Adhikari; Anas A. Saleh; Rodney L. Clark; Francisco J. Zuno-Cruz; Gloria Sanchez Cabrera; John C. Huffman; Maren Pink; Daniel J. Mindiola; Mu-Hyun Baik","Understanding and Predicting Distorted T- versus Y-Geometries for Neutral Chromous Complexes Supported by a Sterically Encumbering β-Diketiminate Ligand","Journal of the American Chemical Society","2008","130","","17351","17361","10.1021/ja803798b","","","0.71073","MoKα","","0.0989","0.0552","","","0.1141","0.1273","","","","","","0.843","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108862","9.7282","0.0007","17.3211","0.0011","21.309","0.0014","90","","95.8084","0.0012","90","","3572.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H59 Cr N3 -","- C37 H59 Cr N3 -","- C148 H236 Cr4 N12 -","4","1","","Hongjun Fan; Debashis Adhikari; Anas A. Saleh; Rodney L. Clark; Francisco J. Zuno-Cruz; Gloria Sanchez Cabrera; John C. Huffman; Maren Pink; Daniel J. Mindiola; Mu-Hyun Baik","Understanding and Predicting Distorted T- versus Y-Geometries for Neutral Chromous Complexes Supported by a Sterically Encumbering β-Diketiminate Ligand","Journal of the American Chemical Society","2008","130","","17351","17361","10.1021/ja803798b","","","0.71073","MoKα","","0.0681","0.0511","","","0.1514","0.1649","","","","","","1.067","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4108863","8.4917","0.0002","11.2276","0.0003","19.7051","0.0006","96.163","0.001","97.129","0.001","103.888","0.001","1791.26","0.08","120","1","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H45 Fe P2 Si -","- C40 H45 Fe P2 Si -","- C80 H90 Fe2 P4 Si2 -","2","1","","Paul Hamon; Frederic Justaud; Olivier Cador; Philippe Hapiot; Stéphane Rigaut; Loïc Toupet; Lahcène Ouahab; Harald Stueger; Jean-René Hamon; Claude Lapinte","Redox-Active Organometallics: Magnetic and Electronic Couplings through Carbon-Silicon Hybrid Molecular Connectors","Journal of the American Chemical Society","2008","130","","17372","17383","10.1021/ja804608z","","","0.71069","MoKα","","0.0944","0.0578","","","0.1503","0.18","","","","","","1.044","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108864","44.817","0.003","44.817","0.003","25.2047","0.0016","90","","90","","90","","50625","6","100","2","100","2","","","","","","","synthesis as described","5","I 41/a :2","-I 4ad","88","","","","- C88.66667 H107.33333 Fe2 P4 Si4 -","- C88.6667 H107.333 Fe2 P4 Si4 -","- C2128 H2576 Fe48 P96 Si96 -","24","1.5","","Paul Hamon; Frederic Justaud; Olivier Cador; Philippe Hapiot; Stéphane Rigaut; Loïc Toupet; Lahcène Ouahab; Harald Stueger; Jean-René Hamon; Claude Lapinte","Redox-Active Organometallics: Magnetic and Electronic Couplings through Carbon-Silicon Hybrid Molecular Connectors","Journal of the American Chemical Society","2008","130","","17372","17383","10.1021/ja804608z","","x-ray","0.71073","MoKα","","0.089","0.0632","","","0.1305","0.1422","","","","","","1.063","","","","has coordinates","264242","2021-04-16","08:51:53",""
"4108865","23.907","0.005","12.136","0.002","19.718","0.004","90","","120.5","0.03","90","","4929","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H84 F K O6 Si6 -","- C36 H84 F K O6 Si6 -","- C144 H336 F4 K4 O24 Si24 -","4","0.5","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Formation of Formal Disilene Fluoride Adducts","Journal of the American Chemical Society","2008","130","","17460","17470","10.1021/ja805753d","","","0.71073","MoKα","","0.1069","0.0944","","","0.2264","0.2362","","","","","","1.053","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108866","10.7","0.002","11.556","0.002","12.86","0.003","103.33","0.03","93.43","0.03","97.87","0.03","1525.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H108 F K O6 Si6 -","- C48 H108 F K O6 Si6 -","- C48 H108 F K O6 Si6 -","1","0.5","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Formation of Formal Disilene Fluoride Adducts","Journal of the American Chemical Society","2008","130","","17460","17470","10.1021/ja805753d","","","0.71073","MoKα","","0.0536","0.0472","","","0.1293","0.1347","","","","","","1.04","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108867","20.967","0.004","8.2457","0.0016","20.565","0.004","90","","108.63","0.03","90","","3369.1","1.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H60 Si6 -","- C24 H60 Si6 -","- C96 H240 Si24 -","4","0.5","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Formation of Formal Disilene Fluoride Adducts","Journal of the American Chemical Society","2008","130","","17460","17470","10.1021/ja805753d","","","0.71073","MoKα","","0.0489","0.0467","","","0.1062","0.1074","","","","","","1.25","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108868","10.041","0.002","16.881","0.003","20.115","0.004","90","","100.84","0.03","90","","3348.7","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H51 F Si9 -","- C17 H51 F Si9 -","- C68 H204 F4 Si36 -","4","1","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Formation of Formal Disilene Fluoride Adducts","Journal of the American Chemical Society","2008","130","","17460","17470","10.1021/ja805753d","","","0.71073","MoKα","","0.071","0.0512","","","0.1279","0.1382","","","","","","1.027","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108869","20.354","0.003","6.2351","0.001","28.492","0.004","90","","94.193","0.003","90","","3606.2","0.9","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H44 Cu N4 O11 -","- C35 H44 Cu N4 O11 -","- C140 H176 Cu4 N16 O44 -","4","0.5","","Chun-Long Chen; Alicia M. Beatty","Guest Inclusion and Structural Dynamics in 2-D Hydrogen-Bonded Metal-Organic Frameworks","Journal of the American Chemical Society","2008","130","","17222","17223","10.1021/ja806180z","","","0.71073","MoKα","","0.0809","0.0408","","","0.0901","0.1077","","","","","","1.013","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108870","20.36","0.009","6.236","0.003","27.844","0.012","90","","94.643","0.008","90","","3524","3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H38 Cl2 Cu N4 O10 -","- C33 H38 Cl2 Cu N4 O11 -","- C132 H152 Cl8 Cu4 N16 O44 -","4","0.5","","Chun-Long Chen; Alicia M. Beatty","Guest Inclusion and Structural Dynamics in 2-D Hydrogen-Bonded Metal-Organic Frameworks","Journal of the American Chemical Society","2008","130","","17222","17223","10.1021/ja806180z","","","0.71073","MoKα","","0.0704","0.0379","","","0.0811","0.0961","","","","","","1.008","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108871","20.38","0.004","6.2728","0.0011","28.11","0.005","90","","94.406","0.003","90","","3583","1.1","233","2","233","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H38 Br2 Cu N4 O11 -","- C33 H38 Br2 Cu N4 O11 -","- C132 H152 Br8 Cu4 N16 O44 -","4","0.5","","Chun-Long Chen; Alicia M. Beatty","Guest Inclusion and Structural Dynamics in 2-D Hydrogen-Bonded Metal-Organic Frameworks","Journal of the American Chemical Society","2008","130","","17222","17223","10.1021/ja806180z","","","0.71073","MoKα","","0.091","0.0405","","","0.0903","0.1165","","","","","","1.006","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108872","6.188","0.0012","10.503","0.002","14.439","0.003","93.123","0.004","101.632","0.004","103.734","0.003","887.7","0.3","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H38 Cl2 Cu N4 O13 -","- C32 H38 Cl2 Cu N4 O13 -","- C32 H38 Cl2 Cu N4 O13 -","1","0.5","","Chun-Long Chen; Alicia M. Beatty","Guest Inclusion and Structural Dynamics in 2-D Hydrogen-Bonded Metal-Organic Frameworks","Journal of the American Chemical Society","2008","130","","17222","17223","10.1021/ja806180z","","","0.71073","MoKα","","0.0837","0.0517","","","0.1341","0.1528","","","","","","1.023","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108873","19.5991","0.0009","17.4575","0.0009","21.7621","0.0012","90","","90","","90","","7445.9","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H25 B F20 O Si -","- C34 H25 B F20 O Si -","- C272 H200 B8 F160 O8 Si8 -","8","1","","Jian Yang; Peter S. White; Maurice Brookhart","Scope and Mechanism of the Iridium-Catalyzed Cleavage of Alkyl Ethers with Triethylsilane","Journal of the American Chemical Society","2008","130","","17509","17518","10.1021/ja806419h","","","0.71073","MoKα","","0.0687","0.0522","","","0.1414","0.1498","","","","","","1.082","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108874","17.1612","0.0011","13.5228","0.0009","19.0358","0.0011","90","","112.152","0.001","90","","4091.5","0.4","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H56 N4 U -","- C48 H56 N4 U -","- C192 H224 N16 U4 -","4","0.5","","Thibault Cantat; Christopher R. Graves; Kimberly C. Jantunen; Carol J. Burns; Brian L. Scott; Eric J. Schelter; David E. Morris; P. Jeffrey Hay; Jaqueline L. Kiplinger","Evidence for the Involvement of 5f Orbitals in the Bonding and Reactivity of Organometallic Actinide Compounds: Thorium(IV) and Uranium(IV) Bis(hydrazonato) Complexes","Journal of the American Chemical Society","2008","130","","17537","17551","10.1021/ja8067287","","","0.71073","MoKα","","0.1014","0.0739","","","0.1648","0.1778","","","","","","1.152","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108875","10.247","0.005","13.04","0.005","19.791","0.008","108.167","0.012","99.161","0.009","96.479","0.009","2443.1","1.8","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H64 N4 U -","- C60 H64 N4 U -","- C120 H128 N8 U2 -","2","1","","Thibault Cantat; Christopher R. Graves; Kimberly C. Jantunen; Carol J. Burns; Brian L. Scott; Eric J. Schelter; David E. Morris; P. Jeffrey Hay; Jaqueline L. Kiplinger","Evidence for the Involvement of 5f Orbitals in the Bonding and Reactivity of Organometallic Actinide Compounds: Thorium(IV) and Uranium(IV) Bis(hydrazonato) Complexes","Journal of the American Chemical Society","2008","130","","17537","17551","10.1021/ja8067287","","","0.71073","MoKα","","0.1867","0.1224","","","0.221","0.2477","","","","","","1.045","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108876","10.185","0.003","13.049","0.004","19.65","0.005","108.229","0.005","99.175","0.004","96.147","0.005","2414.2","1.2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H64 N4 Th -","- C60 H64 N4 Th -","- C120 H128 N8 Th2 -","2","1","","Thibault Cantat; Christopher R. Graves; Kimberly C. Jantunen; Carol J. Burns; Brian L. Scott; Eric J. Schelter; David E. Morris; P. Jeffrey Hay; Jaqueline L. Kiplinger","Evidence for the Involvement of 5f Orbitals in the Bonding and Reactivity of Organometallic Actinide Compounds: Thorium(IV) and Uranium(IV) Bis(hydrazonato) Complexes","Journal of the American Chemical Society","2008","130","","17537","17551","10.1021/ja8067287","","","0.71073","MoKα","","0.0676","0.0604","","","0.1657","0.1714","","","","","","1.508","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108877","17.104","0.005","19.452","0.005","13.778","0.004","90","","101.422","0.004","90","","4493","2","203","2","203","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C51 H63 N4 Th -","- C51 H63 N4 Th -","- C204 H252 N16 Th4 -","4","1","","Thibault Cantat; Christopher R. Graves; Kimberly C. Jantunen; Carol J. Burns; Brian L. Scott; Eric J. Schelter; David E. Morris; P. Jeffrey Hay; Jaqueline L. Kiplinger","Evidence for the Involvement of 5f Orbitals in the Bonding and Reactivity of Organometallic Actinide Compounds: Thorium(IV) and Uranium(IV) Bis(hydrazonato) Complexes","Journal of the American Chemical Society","2008","130","","17537","17551","10.1021/ja8067287","","","0.71073","MoKα","","0.0461","0.0357","","","0.0907","0.0946","","","","","","1.262","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108878","39.276","0.011","10.45","0.003","16.202","0.004","90","","99.043","0.006","90","","6567","3","141","2","141","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H46 Hf N2 -","- C35 H46 Hf N2 -","- C280 H368 Hf8 N16 -","8","1","","Thibault Cantat; Christopher R. Graves; Kimberly C. Jantunen; Carol J. Burns; Brian L. Scott; Eric J. Schelter; David E. Morris; P. Jeffrey Hay; Jaqueline L. Kiplinger","Evidence for the Involvement of 5f Orbitals in the Bonding and Reactivity of Organometallic Actinide Compounds: Thorium(IV) and Uranium(IV) Bis(hydrazonato) Complexes","Journal of the American Chemical Society","2008","130","","17537","17551","10.1021/ja8067287","","","0.71073","MoKα","","0.106","0.0717","","","0.1111","0.1197","","","","","","1.171","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108879","14.8257","0.0016","14.8278","0.0016","16.7187","0.0018","90","","90","","90","","3675.3","0.7","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C35 H42 Fe N6 O3 S2 -","- C35 H42 Fe N6 O3 S2 -","- C140 H168 Fe4 N24 O12 S8 -","4","1","","Gregory J. Halder; Karena W. Chapman; Suzanne M. Neville; Boujemaa Moubaraki; Keith S. Murray; Jean-François Létard; Cameron J. Kepert","Elucidating the Mechanism of a Two-Step Spin Transition in a Nanoporous Metal-Organic Framework","Journal of the American Chemical Society","2008","130","","17552","17562","10.1021/ja8068038","","","0.71073","MoKα","","0.0755","0.0734","","","0.1622","0.1641","","","","","","1.163","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108880","15.114","0.003","15.101","0.003","16.842","0.003","90","","90","","90","","3844","1.3","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C35 H42 Fe N6 O3 S2 -","- C35 H42 Fe N6 O3 S2 -","- C140 H168 Fe4 N24 O12 S8 -","4","1","","Gregory J. Halder; Karena W. Chapman; Suzanne M. Neville; Boujemaa Moubaraki; Keith S. Murray; Jean-François Létard; Cameron J. Kepert","Elucidating the Mechanism of a Two-Step Spin Transition in a Nanoporous Metal-Organic Framework","Journal of the American Chemical Society","2008","130","","17552","17562","10.1021/ja8068038","","","0.71073","MoKα","","0.0985","0.0865","","","0.1712","0.1782","","","","","","1.151","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108881","14.8646","0.0018","14.9069","0.0018","16.747","0.002","90","","90","","90","","3710.9","0.8","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C35 H42 Fe N6 O3 S2 -","- C35 H42 Fe N6 O3 S2 -","- C140 H168 Fe4 N24 O12 S8 -","4","1","","Gregory J. Halder; Karena W. Chapman; Suzanne M. Neville; Boujemaa Moubaraki; Keith S. Murray; Jean-François Létard; Cameron J. Kepert","Elucidating the Mechanism of a Two-Step Spin Transition in a Nanoporous Metal-Organic Framework","Journal of the American Chemical Society","2008","130","","17552","17562","10.1021/ja8068038","","","0.71073","MoKα","","0.1027","0.0777","","","0.17","0.1843","","","","","","1.145","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108882","14.739","0.004","14.739","0.004","16.662","0.009","90","","90","","90","","3620","2","25","2","25","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C35 H42 Fe N6 O3 S2 -","- C35 H42 Fe N6 O3 S2 -","- C140 H168 Fe4 N24 O12 S8 -","4","0.5","","Gregory J. Halder; Karena W. Chapman; Suzanne M. Neville; Boujemaa Moubaraki; Keith S. Murray; Jean-François Létard; Cameron J. Kepert","Elucidating the Mechanism of a Two-Step Spin Transition in a Nanoporous Metal-Organic Framework","Journal of the American Chemical Society","2008","130","","17552","17562","10.1021/ja8068038","","","0.71073","MoKα","","0.1192","0.0809","","","0.2043","0.2378","","","","","","1.098","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108883","9.0431","0.0002","9.3052","0.0002","21.7992","0.0002","90","","90","","90","","1834.36","0.06","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","(+)-(S)-(E)-1-(2-(methylthio)phenyl)-2-styrylhexan-1-one","","- C21 H24 O S -","- C21 H24 O S -","- C84 H96 O4 S4 -","4","1","","James D. Osborne; Helen E. Randell-Sly; Gordon S. Currie; Andrew R. Cowley; Michael C. Willis","Catalytic Enantioselective Intermolecular Hydroacylation: Rhodium-Catalyzed Combination of β-S-Aldehydes and 1,3-Disubstituted Allenes","Journal of the American Chemical Society","2008","130","","17232","17233","10.1021/ja8069133","","","0.71073","MoKα","","0.0339","0.03","","0.0387","0.0348","0.0348","","","","","","1.0792","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108884","10.9542","0.0012","13.6868","0.0017","32.04","0.004","90","","90","","90","","4803.7","1","143","1","143","1","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- C20 H20 N2 O9 -","- C20 H20 N2 O9 -","- C160 H160 N16 O72 -","8","1","","Xiaobo Wan; Madeleine M. Joullié","Enantioselective Total Syntheses of Trichodermamides A and B","Journal of the American Chemical Society","2008","130","","17236","17237","10.1021/ja807011b","","","0.71073","MoKα","","0.0593","0.0531","","","0.1357","0.1417","","","","","","1.09","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108885","25.485","0.004","25.485","0.004","24.7823","0.0018","90","","90","","90","","16096","4","150","2","120","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C36 H44 N4 O12 Ru2 -","- C36 H44 N4 O12 Ru2 -","- C576 H704 N64 O192 Ru32 -","16","1","","Doyel Kumbhakar; Biprajit Sarkar; Somnath Maji; Shaikh M. Mobin; Jan Fiedler; Francisco A. Urbanos; Reyes Jiménez-Aparicio; Wolfgang Kaim; Goutam Kumar Lahiri","Intramolecular Valence and Spin Interaction in meso and rac Diastereomers of a p-Quinonoid-Bridged Diruthenium Complex","Journal of the American Chemical Society","2008","130","","17575","17583","10.1021/ja807043s","","","0.71073","MoKα","","0.1871","0.0589","","","0.0924","0.1256","","","","","","0.805","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108886","13.3882","0.0003","11.5698","0.0003","28.3154","0.0006","90","","92.939","0.002","90","","4380.25","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 Cl4 N4 O10 Ru2 -","- C38 H48 Cl4 N4 O10 Ru2 -","- C152 H192 Cl16 N16 O40 Ru8 -","4","1","","Doyel Kumbhakar; Biprajit Sarkar; Somnath Maji; Shaikh M. Mobin; Jan Fiedler; Francisco A. Urbanos; Reyes Jiménez-Aparicio; Wolfgang Kaim; Goutam Kumar Lahiri","Intramolecular Valence and Spin Interaction in meso and rac Diastereomers of a p-Quinonoid-Bridged Diruthenium Complex","Journal of the American Chemical Society","2008","130","","17575","17583","10.1021/ja807043s","","","0.71073","MoKα","","0.0494","0.0344","","","0.0727","0.0793","","","","","","1.05","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108887","18.184","0.002","12.2234","0.0014","18.256","0.002","90","","103.438","0.002","90","","3946.7","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ferric tren(cam)2(1,2-hopo)","","","- C29 H39 Fe K2 N6 O14 -","- C29 H31 Fe K2 N6 O15.421 -","- C116 H124 Fe4 K8 N24 O61.684 -","4","1","","Trisha M. Hoette; Rebecca J. Abergel; Jide Xu; Roland K. Strong; Kenneth N. Raymond","The Role of Electrostatics in Siderophore Recognition by the Immunoprotein Siderocalin1","Journal of the American Chemical Society","2008","130","","17584","17592","10.1021/ja8074665","","","0.7749","synchrotron","","0.0861","0.0621","","","0.1642","0.1797","","","","","","1.048","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108888","17.0423","0.0014","10.1042","0.0008","20.684","0.0017","90","","93.869","0.001","90","","3553.6","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Fe(III) Tren-CAM-(1,2-HOPO)2, K salt","","","- C31 H38 Fe K N8 O11 -","- C30.998 H31.446 Fe K N7.999 O10.999 -","- C123.992 H125.784 Fe4 K4 N31.996 O43.996 -","4","1","","Trisha M. Hoette; Rebecca J. Abergel; Jide Xu; Roland K. Strong; Kenneth N. Raymond","The Role of Electrostatics in Siderophore Recognition by the Immunoprotein Siderocalin1","Journal of the American Chemical Society","2008","130","","17584","17592","10.1021/ja8074665","","","0.7749","synchrotron","","0.091","0.0696","","","0.1868","0.2036","","","","","","1.037","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108889","12.06","0.002","18.281","0.004","13.41","0.003","90","","108.09","0.03","90","","2810.3","1.1","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Fe(III) 1,2-HOPO Complex","","","- C25 H26 Cl2 Fe N7 O9 -","- C25 H22 Cl2 Fe N7 O9 -","- C100 H88 Cl8 Fe4 N28 O36 -","4","1","","Trisha M. Hoette; Rebecca J. Abergel; Jide Xu; Roland K. Strong; Kenneth N. Raymond","The Role of Electrostatics in Siderophore Recognition by the Immunoprotein Siderocalin1","Journal of the American Chemical Society","2008","130","","17584","17592","10.1021/ja8074665","","","0.71073","MoKα","","0.0576","0.0512","","","0.1146","0.1194","","","","","","1.004","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108890","12.7624","0.0002","12.7624","0.0002","17.6291","0.0005","90","","90","","120","","2486.71","0.09","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24 H44 In N O10 -","- C24 H40 In N O8 -","- C72 H120 In3 N3 O24 -","3","0.5","","Jian Zhang; Shumei Chen; Areg Zingiryan; Xianhui Bu","Integrated Molecular Chirality, Absolute Helicity, and Intrinsic Chiral Topology in Three-Dimensional Open-Framework Materials","Journal of the American Chemical Society","2008","130","","17246","17247","10.1021/ja8075692","","","0.71073","MoKα","","0.0548","0.0495","","","0.1454","0.1514","","","","","","1.167","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108891","12.9913","0.0003","12.9913","0.0003","17.3911","0.0011","90","","90","","120","","2541.93","0.18","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C24 H44 In N O10 -","- C24 H40 In N O10 -","- C72 H120 In3 N3 O30 -","3","0.5","","Jian Zhang; Shumei Chen; Areg Zingiryan; Xianhui Bu","Integrated Molecular Chirality, Absolute Helicity, and Intrinsic Chiral Topology in Three-Dimensional Open-Framework Materials","Journal of the American Chemical Society","2008","130","","17246","17247","10.1021/ja8075692","","","0.71073","MoKα","","0.0974","0.0688","","","0.1985","0.2157","","","","","","1.073","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108892","12.8708","0.0001","12.8708","0.0001","17.2433","0.0004","90","","90","","120","","2473.79","0.06","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C25 H46 In N O11 -","- C25 H28 In N O10 -","- C75 H84 In3 N3 O30 -","3","0.5","","Jian Zhang; Shumei Chen; Areg Zingiryan; Xianhui Bu","Integrated Molecular Chirality, Absolute Helicity, and Intrinsic Chiral Topology in Three-Dimensional Open-Framework Materials","Journal of the American Chemical Society","2008","130","","17246","17247","10.1021/ja8075692","","","0.71073","MoKα","","0.0598","0.0513","","","0.1492","0.1542","","","","","","1.079","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108893","10.4498","0.0005","10.4498","0.0005","31.896","0.002","90","","90","","120","","3016.4","0.3","273","2","273","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C22 H16 Co N2 O4 -","- C22 H16 Co N2 O4 -","- C132 H96 Co6 N12 O24 -","6","1","","Jian Zhang; Shumei Chen; Areg Zingiryan; Xianhui Bu","Integrated Molecular Chirality, Absolute Helicity, and Intrinsic Chiral Topology in Three-Dimensional Open-Framework Materials","Journal of the American Chemical Society","2008","130","","17246","17247","10.1021/ja8075692","","","0.71073","MoKα","","0.0519","0.0457","","","0.1225","0.1261","","","","","","1.086","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108894","7.2182","0.0007","12.1753","0.0013","14.1824","0.0015","90","","90","","90","","1246.4","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H72 Ni4 O24 -","- C40 H72 Ni4 O24 -","- C40 H72 Ni4 O24 -","1","0.25","","Jian Zhang; Shumei Chen; Areg Zingiryan; Xianhui Bu","Integrated Molecular Chirality, Absolute Helicity, and Intrinsic Chiral Topology in Three-Dimensional Open-Framework Materials","Journal of the American Chemical Society","2008","130","","17246","17247","10.1021/ja8075692","","","0.71073","MoKα","","0.0526","0.0454","","","0.121","0.1256","","","","","","1.038","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108895","7.943","","7.943","","12.8125","0.0002","90","","90","","90","","808.357","0.013","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C4 H10 Mg O8 -","- C4 H10 Mg O8 -","- C16 H40 Mg4 O32 -","4","1","","Jian Zhang; Shumei Chen; Areg Zingiryan; Xianhui Bu","Integrated Molecular Chirality, Absolute Helicity, and Intrinsic Chiral Topology in Three-Dimensional Open-Framework Materials","Journal of the American Chemical Society","2008","130","","17246","17247","10.1021/ja8075692","","","0.71073","MoKα","","0.0465","0.046","","","0.1261","0.1271","","","","","","1.023","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108896","21.661","0.003","22.721","0.004","17.128","0.003","90","","90","","90","","8430","2","100","2","100","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C125 H101 -","- C125 H101 -","- C500 H404 -","4","0.5","","Robert D. Kennedy; Alexander L. Ayzner; Darcy D. Wanger; Christopher T Day; Merissa Halim; Saeed I. Khan; Sarah H. Tolbert; Benjamin J. Schwartz; Yves Rubin","Self-Assembling Fullerenes for Improved Bulk-Heterojunction Photovoltaic Devices","Journal of the American Chemical Society","2008","130","","17290","17292","10.1021/ja807627u","","","0.71073","MoKα","","0.1241","0.0758","","","0.1961","0.2391","","","","","","1.021","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108897","18.298","0.005","17.955","0.005","17.352","0.005","90","","90","","90","","5701","3","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C96 H35 Cl3 -","- C96 H35 Cl3 -","- C384 H140 Cl12 -","4","0.5","","Robert D. Kennedy; Alexander L. Ayzner; Darcy D. Wanger; Christopher T Day; Merissa Halim; Saeed I. Khan; Sarah H. Tolbert; Benjamin J. Schwartz; Yves Rubin","Self-Assembling Fullerenes for Improved Bulk-Heterojunction Photovoltaic Devices","Journal of the American Chemical Society","2008","130","","17290","17292","10.1021/ja807627u","","","0.71073","MoKα","","0.1135","0.0769","","","0.2001","0.2282","","","","","","1.057","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108898","16.469","0.003","18.464","0.003","38.87","0.007","90","","92.545","0.002","90","","11808","4","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C204 H86 -","- C204 H86 -","- C816 H344 -","4","1","","Robert D. Kennedy; Alexander L. Ayzner; Darcy D. Wanger; Christopher T Day; Merissa Halim; Saeed I. Khan; Sarah H. Tolbert; Benjamin J. Schwartz; Yves Rubin","Self-Assembling Fullerenes for Improved Bulk-Heterojunction Photovoltaic Devices","Journal of the American Chemical Society","2008","130","","17290","17292","10.1021/ja807627u","","","0.71073","MoKα","","0.1632","0.064","","","0.1243","0.1643","","","","","","0.969","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108899","16.5493","0.0016","18.5294","0.0018","38.904","0.004","90","","93.169","0.001","90","","11912","2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C101 H39 Cl2 -","- C101 H39 Cl2 -","- C808 H312 Cl16 -","8","2","","Robert D. Kennedy; Alexander L. Ayzner; Darcy D. Wanger; Christopher T Day; Merissa Halim; Saeed I. Khan; Sarah H. Tolbert; Benjamin J. Schwartz; Yves Rubin","Self-Assembling Fullerenes for Improved Bulk-Heterojunction Photovoltaic Devices","Journal of the American Chemical Society","2008","130","","17290","17292","10.1021/ja807627u","","","0.71073","MoKα","","0.1102","0.0794","","","0.214","0.2387","","","","","","1.032","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108900","14.1988","0.0013","18.8417","0.0018","47.797","0.005","90","","93.598","0.001","90","","12762","2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C212.5 H89.75 Cl3.75 -","- C212.5 H89.75 Cl3.75 -","- C850 H359 Cl15 -","4","1","","Robert D. Kennedy; Alexander L. Ayzner; Darcy D. Wanger; Christopher T Day; Merissa Halim; Saeed I. Khan; Sarah H. Tolbert; Benjamin J. Schwartz; Yves Rubin","Self-Assembling Fullerenes for Improved Bulk-Heterojunction Photovoltaic Devices","Journal of the American Chemical Society","2008","130","","17290","17292","10.1021/ja807627u","","","0.71073","MoKα","","0.1088","0.075","","","0.1916","0.2144","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108901","18.311","0.005","17.969","0.004","17.344","0.005","90","","90","","90","","5707","3","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C96 H34 S2 -","- C96 H34 S2 -","- C384 H136 S8 -","4","0.5","","Robert D. Kennedy; Alexander L. Ayzner; Darcy D. Wanger; Christopher T Day; Merissa Halim; Saeed I. Khan; Sarah H. Tolbert; Benjamin J. Schwartz; Yves Rubin","Self-Assembling Fullerenes for Improved Bulk-Heterojunction Photovoltaic Devices","Journal of the American Chemical Society","2008","130","","17290","17292","10.1021/ja807627u","","","0.71073","MoKα","","0.0838","0.0629","","","0.1705","0.1892","","","","","","1.025","","","","has coordinates,has disorder","178835","2020-10-21","18:00:00",""
"4108902","24.2381","0.0014","17.6005","0.001","19.7867","0.0012","90","","97.222","0.003","90","","8374.1","0.8","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Gd2(C2)@C92.NiOEP.2benzene","","","- C142 H56 Gd2 N4 Ni -","- C143 H56 Gd2 N4 Ni -","- C572 H224 Gd8 N16 Ni4 -","4","0.5","","Hua Yang; Chunxin Lu; Ziyang Liu; Hongxiao Jin; Yuliang Che; Marilyn M. Olmstead; Alan L. Balch","Detection of a Family of Gadolinium-Containing Endohedral Fullerenes and the Isolation and Crystallographic Characterization of One Member as a Metal-Carbide Encapsulated inside a Large Fullerene Cage","Journal of the American Chemical Society","2008","130","","17296","17300","10.1021/ja8078303","","","0.71073","MoKα","","0.1589","0.115","","","0.3151","0.3576","","","","","","1.049","","","","has coordinates,has disorder","178835","2020-10-21","18:00:00",""
"4108903","7.2823","0.0005","8.0024","0.0006","24.632","0.0017","90","","90","","90","","1435.45","0.18","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O3 S -","- C17 H15 N O3 S -","- C68 H60 N4 O12 S4 -","4","1","","Michael Rommel; Takeo Fukuzumi; Jeffrey W. Bode","Cyclic Ketimines as Superior Electrophiles for NHC-Catalyzed Homoenolate Additions with Broad Scope and Low Catalyst Loadings","Journal of the American Chemical Society","2008","130","","17266","17267","10.1021/ja807937m","","","0.71073","MoKα","","0.048","0.0442","","","0.1184","0.1215","","","","","","1.122","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108904","16.6026","0.0013","17.9592","0.0013","12.9034","0.001","90","","108.505","0.002","90","","3648.5","0.5","143","1","143","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C176 H136 N8 O24 S8 -","8","2","","Michael Rommel; Takeo Fukuzumi; Jeffrey W. Bode","Cyclic Ketimines as Superior Electrophiles for NHC-Catalyzed Homoenolate Additions with Broad Scope and Low Catalyst Loadings","Journal of the American Chemical Society","2008","130","","17266","17267","10.1021/ja807937m","","","0.71073","MoKα","","0.0562","0.0426","","","0.0992","0.1098","","","","","","1.067","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108905","23.8435","0.0011","29.5489","0.0014","27.5426","0.0013","90","","100.932","0.001","90","","19053","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C134.5 H193 Cs0.46 Ga6 O55 -","- C134.1 H128.75 Cs0.46 Ga6 O55.02 -","- C536.4 H515 Cs1.84 Ga24 O220.08 -","4","1","","Ping Jin; Scott J. Dalgarno; Charles Barnes; Simon J. Teat; Jerry L. Atwood","Ion Transport to the Interior of Metal-Organic Pyrogallol[4]arene Nanocapsules","Journal of the American Chemical Society","2008","130","","17262","17263","10.1021/ja807983t","","","0.7749","synchrotron","","0.1011","0.0834","","","0.237","0.245","","","","","","1.718","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108906","21.96","0.004","22.811","0.005","24.091","0.005","110.92","0.03","106.34","0.03","107.66","0.03","9657","6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C149.25 H217.75 Ag0.5 Ga6 N3.75 O59 -","- C150.25 H169 Ag0.5 Ga6 N3.75 O59 -","- C300.5 H338 Ag Ga12 N7.5 O118 -","2","1","","Ping Jin; Scott J. Dalgarno; Charles Barnes; Simon J. Teat; Jerry L. Atwood","Ion Transport to the Interior of Metal-Organic Pyrogallol[4]arene Nanocapsules","Journal of the American Chemical Society","2008","130","","17262","17263","10.1021/ja807983t","","","0.71073","MoKα","","0.1259","0.0845","","","0.251","0.2943","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108907","13.181","0.002","5.5982","0.001","23.583","0.004","90","","104.2","0.012","90","","1687","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Br O2 -","- C21 H15 Br O2 -","- C84 H60 Br4 O8 -","4","1","","Eun Ju Park; Seok Hwan Kim; Sukbok Chang","Copper-Catalyzed Reaction of α-Aryldiazoesters with Terminal Alkynes: A Formal [3 + 2] Cycloaddition Route Leading to Indene Derivatives","Journal of the American Chemical Society","2008","130","","17268","17269","10.1021/ja808080h","","","0.71073","MoKα","","0.1187","0.0694","","","0.1931","0.2363","","","","","","1.042","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108908","14.2828","0.0015","13.3695","0.0014","13.3018","0.0014","90","","94.94","0.001","90","","2530.6","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Ni P2 -","- C26 H40 Ni P2 -","- C104 H160 Ni4 P8 -","4","1","","Samuel A. Johnson; Carla W. Huff; Ferheen Mustafa; Mark Saliba","Unexpected Intermediates and Products in the C-F Bond Activation of Tetrafluorobenzenes with a Bis(triethylphosphine)Nickel Synthon: Direct Evidence of a Rapid and Reversible C-H Bond Activation by Ni(0)","Journal of the American Chemical Society","2008","130","","17278","17280","10.1021/ja8081395","","","0.71073","MoKα","","0.0319","0.0278","","","0.071","0.0736","","","","","","1.05","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108909","13.4517","0.0019","22.128","0.003","14.872","0.002","90","","94.924","0.002","90","","4410.5","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 F8 Ni2 P4 -","- C36.029 H62.045 F8 Ni2 P4 -","- C144.116 H248.18 F32 Ni8 P16 -","4","1","","Samuel A. Johnson; Carla W. Huff; Ferheen Mustafa; Mark Saliba","Unexpected Intermediates and Products in the C-F Bond Activation of Tetrafluorobenzenes with a Bis(triethylphosphine)Nickel Synthon: Direct Evidence of a Rapid and Reversible C-H Bond Activation by Ni(0)","Journal of the American Chemical Society","2008","130","","17278","17280","10.1021/ja8081395","","","0.71073","MoKα","","0.05","0.0432","","","0.1101","0.1154","","","","","","1.112","","","","has coordinates,has disorder","178835","2020-10-21","18:00:00",""
"4108910","11.015","0.003","11.65","0.003","17.577","0.005","83.474","0.003","72.775","0.004","65.177","0.002","1955.2","0.9","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H62 O9 Si2 -","- C32 H62 O9 Si2 -","- C64 H124 O18 Si4 -","2","1","","David A. Nicewicz; Andrew D. Satterfield; Daniel C. Schmitt; Jeffrey S. Johnson","Self-Consistent Synthesis of the Squalene Synthase Inhibitor Zaragozic Acid C via Controlled Oligomerization","Journal of the American Chemical Society","2008","130","","17281","17283","10.1021/ja808347q","","","0.71073","MoKα","","0.0628","0.0485","","","0.1189","0.1307","","","","","","1.028","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108911","11.454","0.0003","37.1782","0.0011","12.5431","0.0004","90","","108.349","0.002","90","","5069.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H76 O12 Si3 -","- C43 H76 O12 Si3 -","- C172 H304 O48 Si12 -","4","1","","David A. Nicewicz; Andrew D. Satterfield; Daniel C. Schmitt; Jeffrey S. Johnson","Self-Consistent Synthesis of the Squalene Synthase Inhibitor Zaragozic Acid C via Controlled Oligomerization","Journal of the American Chemical Society","2008","130","","17281","17283","10.1021/ja808347q","","","0.71073","MoKα","","0.0545","0.041","","","0.0958","0.1032","","","","","","1.022","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108912","9.6923","0.0005","9.4608","0.0004","15.6706","0.0007","90","","93.158","0.002","90","","1434.76","0.12","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H35 N4 O7.5 -","- C29 H35 N4 O7.5 -","- C58 H70 N8 O15 -","2","1","","Panchami Prabhakaran; Sangram S. Kale; Vedavati G. Puranik; P. R. Rajamohanan; Olga Chetina; Judith A. K. Howard; Hans-Jörg Hofmann; Gangadhar J. Sanjayan","Sequence-Specific Unusual (1\ρightarrow2)-Type Helical Turns in α/β-Hybrid Peptides","Journal of the American Chemical Society","2008","130","","17743","17754","10.1021/ja804297f","","","0.71073","Mo-Kα","","0.0738","0.0429","","","0.0949","0.1058","","","","","","0.96","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108913","15.219","0.001","9.4069","0.0006","16.2675","0.0011","90","","101.44","0.001","90","","2282.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","peptide","","","- C23 H28 N4 O5 -","- C23 H28 N4 O5 -","- C92 H112 N16 O20 -","4","1","","Panchami Prabhakaran; Sangram S. Kale; Vedavati G. Puranik; P. R. Rajamohanan; Olga Chetina; Judith A. K. Howard; Hans-Jörg Hofmann; Gangadhar J. Sanjayan","Sequence-Specific Unusual (1\ρightarrow2)-Type Helical Turns in α/β-Hybrid Peptides","Journal of the American Chemical Society","2008","130","","17743","17754","10.1021/ja804297f","","","0.71073","MoKα","","0.0565","0.0433","","","0.1039","0.1128","","","","","","1.055","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108914","10.1637","0.0006","15.6505","0.0008","15.0116","0.0009","90","","90","","90","","2387.8","0.2","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","peptide","","","- C24 H29 N3 O6 -","- C24 H29 N3 O6 -","- C96 H116 N12 O24 -","4","1","","Panchami Prabhakaran; Sangram S. Kale; Vedavati G. Puranik; P. R. Rajamohanan; Olga Chetina; Judith A. K. Howard; Hans-Jörg Hofmann; Gangadhar J. Sanjayan","Sequence-Specific Unusual (1\ρightarrow2)-Type Helical Turns in α/β-Hybrid Peptides","Journal of the American Chemical Society","2008","130","","17743","17754","10.1021/ja804297f","","","0.71073","MoKα","","0.0427","0.0354","","","0.0821","0.0863","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108915","10.8666","0.001","16.478","0.003","24.053","0.002","90","","90","","90","","4306.9","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","peptide","","","- C20 H28 N4 O5 -","- C20 H28 N4 O5 -","- C160 H224 N32 O40 -","8","1","","Panchami Prabhakaran; Sangram S. Kale; Vedavati G. Puranik; P. R. Rajamohanan; Olga Chetina; Judith A. K. Howard; Hans-Jörg Hofmann; Gangadhar J. Sanjayan","Sequence-Specific Unusual (1\ρightarrow2)-Type Helical Turns in α/β-Hybrid Peptides","Journal of the American Chemical Society","2008","130","","17743","17754","10.1021/ja804297f","","","0.71073","MoKα","","0.1348","0.0768","","","0.1355","0.1555","","","","","","1.108","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108916","11.0377","0.0004","18.4948","0.0008","25.2391","0.0007","90","","90","","90","","5152.3","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C101 H22 N Sc3 -","- C101 H22 N Sc3 -","- C404 H88 N4 Sc12 -","4","0.5","","Chunying Shu; Carla Slebodnick; Liaosa Xu; Hunter Champion; Tim Fuhrer; Ting Cai; Jonathan E. Reid; Wujun Fu; Kim Harich; Harry C. Dorn; Harry W. Gibson","Highly Regioselective Derivatization of Trimetallic Nitride Templated Endohedral Metallofullerenes via a Facile Photochemical Reaction","Journal of the American Chemical Society","2008","130","","17755","17760","10.1021/ja804909t","","x-ray","1.54178","CuKα","","0.1738","0.1281","","","0.3527","0.3839","","","","","","1.329","","","","has coordinates,has disorder","178835","2020-10-21","18:00:00",""
"4108917","13.469","0.003","14.537","0.003","28.83","0.006","90","","90","","90","","5645","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H75 Ce N16 O12 -","- C47 H66 Ce N16 O12 -","- C188 H264 Ce4 N64 O48 -","4","1","","Janusz Gregoliński; Przemysław Starynowicz; KimNgan T. Hua; Jamie L. Lunkley; Gilles Muller; Jerzy Lisowski","Helical Lanthanide(III) Complexes with Chiral Nonaaza Macrocycle","Journal of the American Chemical Society","2008","130","","17761","17773","10.1021/ja805033j","","","0.71073","MoKα","","0.0678","0.0502","","","0.1145","0.1225","","","","","","1.077","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108918","14.982","0.004","14.982","0.004","38.92","0.02","90","","90","","120","","7566","5","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C42.75 H70.13 Lu N13.88 O12.75 -","- C42.75 H60 Lu N13.875 O12.75 -","- C256.5 H360 Lu6 N83.25 O76.5 -","6","1","","Janusz Gregoliński; Przemysław Starynowicz; KimNgan T. Hua; Jamie L. Lunkley; Gilles Muller; Jerzy Lisowski","Helical Lanthanide(III) Complexes with Chiral Nonaaza Macrocycle","Journal of the American Chemical Society","2008","130","","17761","17773","10.1021/ja805033j","","","0.71073","MoKα","","0.0647","0.0413","","","0.0715","0.0748","","","","","","0.991","","","","has coordinates,has disorder","178835","2020-10-21","18:00:00",""
"4108919","13.486","0.008","14.542","0.008","28.702","0.017","90","","90","","90","","5629","6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H73.33 N15 O12.67 Pr -","- C45 H63 N15 O12.65 Pr -","- C180 H252 N60 O50.6 Pr4 -","4","1","","Janusz Gregoliński; Przemysław Starynowicz; KimNgan T. Hua; Jamie L. Lunkley; Gilles Muller; Jerzy Lisowski","Helical Lanthanide(III) Complexes with Chiral Nonaaza Macrocycle","Journal of the American Chemical Society","2008","130","","17761","17773","10.1021/ja805033j","","","0.71073","MoKα","","0.0815","0.059","","","0.1333","0.1408","","","","","","1.037","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108920","7.1413","0.0002","7.1413","0.0002","22.1101","0.0011","90","","90","","90","","1127.57","0.07","150","","150","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- H14 Na2 O11 S -","- H12 Na2 O11 S -","- H48 Na8 O44 S4 -","4","0.125","","Iain D. H. Oswald; Andrea Hamilton; Christopher Hall; William G. Marshall; Timothy J. Prior; Colin R. Pulham","In Situ Characterization of Elusive Salt Hydrates-The Crystal Structures of the Heptahydrate and Octahydrate of Sodium Sulfate","Journal of the American Chemical Society","2008","130","","17795","17800","10.1021/ja805429m","","","0.71073","MoKα","","0.0432","0.041","","0.119","0.1156","0.119","","","","","","1.0089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108921","7.8865","0.0014","8.096","0.008","8.2521","0.0013","85.73","0.03","86.239","0.015","88.59","0.03","524.2","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","Sodium sulfate octahydrate","","- H16 Na2 O12 S -","- H16 Na2 O12 S -","- H32 Na4 O24 S2 -","2","1","","Iain D. H. Oswald; Andrea Hamilton; Christopher Hall; William G. Marshall; Timothy J. Prior; Colin R. Pulham","In Situ Characterization of Elusive Salt Hydrates-The Crystal Structures of the Heptahydrate and Octahydrate of Sodium Sulfate","Journal of the American Chemical Society","2008","130","","17795","17800","10.1021/ja805429m","","","0.7977","","","0.0803","0.0725","","0.2018","0.1914","0.2018","","","","","","0.9343","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108922","18.2094","0.0009","10.8327","0.0005","24.9242","0.0012","90","","97.916","0.002","90","","4869.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H51 B Cu N4 O2 -","- C62 H51 B Cu N4 O2 -","- C248 H204 B4 Cu4 N16 O8 -","4","1","","Bringmann, Gerhard; Götz, Daniel C. G.; Gulder, Tobias A. M.; Gehrke, Tim H.; Bruhn, Torsten; Kupfer, Thomas; Radacki, Krzysztof; Braunschweig, Holger; Heckmann, Alexander; Lambert, Christoph","Axially Chiral β,β'-Bisporphyrins: Synthesis and Configurational Stability Tuned by the Central Metals","Journal of the American Chemical Society","2008","130","52","17812","17825","10.1021/ja8055886","","","0.71073","MoKα","","0.0905","0.0605","","","0.1451","0.1588","","","","","","1.072","","","","has coordinates","218554","2020-10-21","18:00:00",""
"4108923","13.0576","0.0011","14.7944","0.0011","18.9761","0.0015","96.118","0.004","90.411","0.004","106.267","0.004","3496.4","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Bisporphirin","Bis(5,10,15,20-tetraphenyl-porphirin)","","- C94.45 H72.9 Cl0.9 N8 -","- C94.45 H72.9 Cl0.9 N8 -","- C188.9 H145.8 Cl1.8 N16 -","2","1","","Bringmann, Gerhard; Götz, Daniel C. G.; Gulder, Tobias A. M.; Gehrke, Tim H.; Bruhn, Torsten; Kupfer, Thomas; Radacki, Krzysztof; Braunschweig, Holger; Heckmann, Alexander; Lambert, Christoph","Axially Chiral β,β'-Bisporphyrins: Synthesis and Configurational Stability Tuned by the Central Metals","Journal of the American Chemical Society","2008","130","52","17812","17825","10.1021/ja8055886","","","0.71073","MoKα","","0.1017","0.0657","","","0.1578","0.1819","","","","","","1.019","","","","has coordinates,has disorder","218554","2020-10-21","18:00:00",""
"4108924","25.63","0.01","14.784","0.005","17.845","0.007","90","","104.92","0.03","90","","6534","4","223.2","","223.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H56 Cl4 N4 O4 Ti2 -","- C76 H56 Cl4 N4 O4 Ti2 -","- C304 H224 Cl16 N16 O16 Ti8 -","4","1","","Hiroshi Terao; Seiichi Ishii; Makoto Mitani; Hidetsugu Tanaka; Terunori Fujita","Ethylene/Polar Monomer Copolymerization Behavior of Bis(phenoxy-imine)Ti Complexes: Formation of Polar Monomer Copolymers","Journal of the American Chemical Society","2008","130","","17636","17637","10.1021/ja8060479","","","0.7107","MoKα","","0.0399","0.0399","","","0.1116","0.1116","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108925","9.577","0.005","10.375","0.005","10.732","0.005","72.994","0.01","64.54","0.01","63.238","0.009","853.2","0.7","190","","190","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N2 O14 Rh2 -","- C32 H24 N2 O14 Rh2 -","- C32 H24 N2 O14 Rh2 -","1","0.5","","Satoshi Takamizawa; Ei-ichi Nakata; Takamasa Akatsuka; Chihiro Kachi-Terajima; Ryosuke Miyake","Structural and Magnetic Study of O2 Molecules Arranged along a Channel in a Flexible Single-Crystal Host Family","Journal of the American Chemical Society","2008","130","","17882","17892","10.1021/ja806257m","","","0.71073","MoKα","","0.1523","0.0963","","","0.1768","0.1973","","","","","","0.998","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108926","9.592","0.008","10.367","0.009","10.719","0.01","73.593","0.019","64.801","0.016","63.501","0.016","857.5","1.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N2 O14 Rh2 -","- C32 H24 N2 O14 Rh2 -","- C32 H24 N2 O14 Rh2 -","1","0.5","","Satoshi Takamizawa; Ei-ichi Nakata; Takamasa Akatsuka; Chihiro Kachi-Terajima; Ryosuke Miyake","Structural and Magnetic Study of O2 Molecules Arranged along a Channel in a Flexible Single-Crystal Host Family","Journal of the American Chemical Society","2008","130","","17882","17892","10.1021/ja806257m","","","0.71073","MoKα","","0.1273","0.0657","","","0.1404","0.1756","","","","","","0.921","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108927","9.59","0.004","10.4","0.004","10.662","0.004","73.683","0.008","64.414","0.008","63.524","0.007","853.4","0.6","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N2 O14 Rh2 -","- C32 H24 N2 O14 Rh2 -","- C32 H24 N2 O14 Rh2 -","1","0.5","","Satoshi Takamizawa; Ei-ichi Nakata; Takamasa Akatsuka; Chihiro Kachi-Terajima; Ryosuke Miyake","Structural and Magnetic Study of O2 Molecules Arranged along a Channel in a Flexible Single-Crystal Host Family","Journal of the American Chemical Society","2008","130","","17882","17892","10.1021/ja806257m","","","0.71073","MoKα","","0.0976","0.0724","","","0.1758","0.1899","","","","","","1.01","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108928","9.572","0.004","10.344","0.004","10.624","0.004","73.647","0.008","64.336","0.009","63.412","0.007","842.8","0.6","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N2 O14 Rh2 -","- C32 H24 N2 O14 Rh2 -","- C32 H24 N2 O14 Rh2 -","1","0.5","","Satoshi Takamizawa; Ei-ichi Nakata; Takamasa Akatsuka; Chihiro Kachi-Terajima; Ryosuke Miyake","Structural and Magnetic Study of O2 Molecules Arranged along a Channel in a Flexible Single-Crystal Host Family","Journal of the American Chemical Society","2008","130","","17882","17892","10.1021/ja806257m","","","0.71073","MoKα","","0.1119","0.0778","","","0.184","0.2074","","","","","","1.057","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108929","9.526","0.004","10.303","0.004","10.582","0.004","73.816","0.009","64.365","0.007","63.509","0.007","833.3","0.6","70","","70","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N2 O14 Rh2 -","- C32 H24 N2 O14 Rh2 -","- C32 H24 N2 O14 Rh2 -","1","0.5","","Satoshi Takamizawa; Ei-ichi Nakata; Takamasa Akatsuka; Chihiro Kachi-Terajima; Ryosuke Miyake","Structural and Magnetic Study of O2 Molecules Arranged along a Channel in a Flexible Single-Crystal Host Family","Journal of the American Chemical Society","2008","130","","17882","17892","10.1021/ja806257m","","","0.71073","MoKα","","0.1758","0.1127","","","0.2591","0.2988","","","","","","1.003","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108930","9.563","0.002","10.323","0.002","10.508","0.002","74.815","0.004","64.134","0.004","63.786","0.004","834.3","0.3","40","","40","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N2 O14 Rh2 -","- C32 H24 N2 O14 Rh2 -","- C32 H24 N2 O14 Rh2 -","1","0.5","","Satoshi Takamizawa; Ei-ichi Nakata; Takamasa Akatsuka; Chihiro Kachi-Terajima; Ryosuke Miyake","Structural and Magnetic Study of O2 Molecules Arranged along a Channel in a Flexible Single-Crystal Host Family","Journal of the American Chemical Society","2008","130","","17882","17892","10.1021/ja806257m","","","0.71073","MoKα","","0.0827","0.051","","","0.0999","0.1272","","","","","","1.009","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108931","9.5572","0.0019","10.297","0.002","10.488","0.002","74.913","0.004","64.108","0.004","63.757","0.004","829.9","0.3","20","","20","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N2 O14 Rh2 -","- C32 H24 N2 O14 Rh2 -","- C32 H24 N2 O14 Rh2 -","1","0.5","","Satoshi Takamizawa; Ei-ichi Nakata; Takamasa Akatsuka; Chihiro Kachi-Terajima; Ryosuke Miyake","Structural and Magnetic Study of O2 Molecules Arranged along a Channel in a Flexible Single-Crystal Host Family","Journal of the American Chemical Society","2008","130","","17882","17892","10.1021/ja806257m","","","0.71073","MoKα","","0.1062","0.0639","","","0.1214","0.1498","","","","","","1.034","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108932","18.892","0.009","9.621","0.005","12.451","0.006","90","","129.508","0.009","90","","1746.1","1.5","150","","150","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C33 H26 N2 O14 Rh2 -","- C33 H23 N2 O14 Rh2 -","- C66 H46 N4 O28 Rh4 -","2","0.25","","Satoshi Takamizawa; Ei-ichi Nakata; Takamasa Akatsuka; Chihiro Kachi-Terajima; Ryosuke Miyake","Structural and Magnetic Study of O2 Molecules Arranged along a Channel in a Flexible Single-Crystal Host Family","Journal of the American Chemical Society","2008","130","","17882","17892","10.1021/ja806257m","","","0.71073","MoKα","","0.1289","0.0768","","","0.1783","0.217","","","","","","0.93","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108933","18.881","0.006","9.61","0.003","12.479","0.004","90","","129.747","0.005","90","","1740.9","1","130","","130","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C33 H26 N2 O14 Rh2 -","- C33 H23 N2 O14 Rh2 -","- C66 H46 N4 O28 Rh4 -","2","0.25","","Satoshi Takamizawa; Ei-ichi Nakata; Takamasa Akatsuka; Chihiro Kachi-Terajima; Ryosuke Miyake","Structural and Magnetic Study of O2 Molecules Arranged along a Channel in a Flexible Single-Crystal Host Family","Journal of the American Chemical Society","2008","130","","17882","17892","10.1021/ja806257m","","","0.71073","MoKα","","0.1402","0.089","","","0.2274","0.2649","","","","","","0.981","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108934","9.603","0.007","10.58","0.008","10.753","0.009","71.45","0.016","63.831","0.014","63.018","0.015","864.2","1.2","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 N2 O14 Rh2 -","- C33 H23 N2 O14 Rh2 -","- C33 H23 N2 O14 Rh2 -","1","0.5","","Satoshi Takamizawa; Ei-ichi Nakata; Takamasa Akatsuka; Chihiro Kachi-Terajima; Ryosuke Miyake","Structural and Magnetic Study of O2 Molecules Arranged along a Channel in a Flexible Single-Crystal Host Family","Journal of the American Chemical Society","2008","130","","17882","17892","10.1021/ja806257m","","","0.71073","MoKα","","0.1561","0.0845","","","0.1835","0.2315","","","","","","0.981","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108935","9.599","0.003","10.531","0.003","10.748","0.004","71.525","0.007","63.5","0.005","62.985","0.006","857.3","0.5","70","","70","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 N2 O14 Rh2 -","- C33 H23 N2 O14 Rh2 -","- C33 H23 N2 O14 Rh2 -","1","0.5","","Satoshi Takamizawa; Ei-ichi Nakata; Takamasa Akatsuka; Chihiro Kachi-Terajima; Ryosuke Miyake","Structural and Magnetic Study of O2 Molecules Arranged along a Channel in a Flexible Single-Crystal Host Family","Journal of the American Chemical Society","2008","130","","17882","17892","10.1021/ja806257m","","","0.71073","MoKα","","0.1378","0.0883","","","0.2135","0.246","","","","","","1.095","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108936","9.597","0.005","10.532","0.005","10.624","0.005","72.586","0.009","63.552","0.009","63.392","0.01","852.9","0.7","40","","40","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 N2 O14 Rh2 -","- C33 H23 N2 O14 Rh2 -","- C33 H23 N2 O14 Rh2 -","1","0.5","","Satoshi Takamizawa; Ei-ichi Nakata; Takamasa Akatsuka; Chihiro Kachi-Terajima; Ryosuke Miyake","Structural and Magnetic Study of O2 Molecules Arranged along a Channel in a Flexible Single-Crystal Host Family","Journal of the American Chemical Society","2008","130","","17882","17892","10.1021/ja806257m","","","0.71073","MoKα","","0.1491","0.0871","","","0.1898","0.2322","","","","","","0.976","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108937","18.778","0.008","9.615","0.005","12.478","0.006","90","","130.316","0.007","90","","1717.8","1.4","20","","20","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C33 H26 N2 O14 Rh2 -","- C33 H23 N2 O14 Rh2 -","- C66 H46 N4 O28 Rh4 -","2","0.25","","Satoshi Takamizawa; Ei-ichi Nakata; Takamasa Akatsuka; Chihiro Kachi-Terajima; Ryosuke Miyake","Structural and Magnetic Study of O2 Molecules Arranged along a Channel in a Flexible Single-Crystal Host Family","Journal of the American Chemical Society","2008","130","","17882","17892","10.1021/ja806257m","","","0.71073","MoKα","","0.1341","0.0872","","","0.2104","0.2435","","","","","","1.059","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108938","10.1826","0.0013","10.3892","0.0012","15.711","0.0018","79.419","0.002","81.34","0.002","86.149","0.002","1613.8","0.3","10","","10","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 N2 O8 Rh2 -","- C33 H25 N2 O8 Rh2 -","- C66 H50 N4 O16 Rh4 -","2","1","","Satoshi Takamizawa; Ei-ichi Nakata; Takamasa Akatsuka; Chihiro Kachi-Terajima; Ryosuke Miyake","Structural and Magnetic Study of O2 Molecules Arranged along a Channel in a Flexible Single-Crystal Host Family","Journal of the American Chemical Society","2008","130","","17882","17892","10.1021/ja806257m","","","0.71073","MoKα","","0.1077","0.0668","","","0.1403","0.1631","","","","","","1.046","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108939","8.7457","0.0007","9.5756","0.0007","31.598","0.002","90","","90","","90","","2646.2","0.3","173","2","173","2","","","","","","","chemical synthesis","5","P 21 21 21","P 2ac 2ab","19","drsenone","(4a<i>S</i>,8a<i>S</i>,9<i>S</i>)-3-(Benzyloxy)-4a-(<i>tert</i>- butyldimethylsilyloxy)-9-(dimethylamino)-8a,9- dihydronaphtho[2,3-<i>d</i>]isoxazole-4,5(4a<i>H</i>,8<i>H</i>)-dione","","- C26 H34 N2 O5 Si -","- C26 H34 N2 O5 Si -","- C104 H136 N8 O20 Si4 -","4","1","","Cuixiang Sun; Qiu Wang; Jason D. Brubaker; Peter M. Wright; Christian D. Lerner; Kevin Noson; Mark Charest; Dionicio R. Siegel; Yi-Ming Wang; Andrew G. Myers","A Robust Platform for the Synthesis of New Tetracycline Antibiotics","Journal of the American Chemical Society","2008","130","","17913","17927","10.1021/ja806629e","","","0.71073","MoKα","","0.0851","0.0531","","","0.0961","0.1077","","","","","","1.005","","","","has coordinates,has disorder","178835","2020-10-21","18:00:00",""
"4108940","13.116","0.003","11.381","0.002","15.075","0.003","90","","97.42","0.005","90","","2231.4","0.8","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H62 N2 O8 Si2 -","- C43 H62 N2 O8 Si2 -","- C86 H124 N4 O16 Si4 -","2","1","","Cuixiang Sun; Qiu Wang; Jason D. Brubaker; Peter M. Wright; Christian D. Lerner; Kevin Noson; Mark Charest; Dionicio R. Siegel; Yi-Ming Wang; Andrew G. Myers","A Robust Platform for the Synthesis of New Tetracycline Antibiotics","Journal of the American Chemical Society","2008","130","","17913","17927","10.1021/ja806629e","","","0.71073","MoKα","","0.1216","0.052","","","0.1028","0.124","","","","","","0.757","","","","has coordinates,has disorder","178835","2020-10-21","18:00:00",""
"4108941","13.5529","0.0012","14.8008","0.0017","14.8937","0.0016","67.953","0.006","64.84","0.008","83.832","0.009","2501.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","5-benzyl-3-methyl-4-(triphenylphosphine)gold-furan-2(5H)-one","5-benzyl-3-methyl-4-(triphenylphosphine)gold-furan-2(5H)-one","","- C30 H26 Au O2 P -","- C30 H26 Au O2 P -","- C120 H104 Au4 O8 P4 -","4","2","","Le-Ping Liu; Bo Xu; Mark S. Mashuta; Gerald B. Hammond","Synthesis and Structural Characterization of Stable Organogold(I) Compounds. Evidence for the Mechanism of Gold-Catalyzed Cyclizations","Journal of the American Chemical Society","2008","130","","17642","17643","10.1021/ja806685j","","","0.71073","MoKα","","0.0397","0.0352","","","0.0819","0.0846","","","","","","1.071","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108942","7.4638","0.0015","12.957","0.003","10.29","0.002","90","","100.64","0.03","90","","978","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 Cl N2 S -","- C21 H21 Cl N2 S -","- C42 H42 Cl2 N4 S2 -","2","1","","Jeremy M. Richter; Yoshihiro Ishihara; Takeshi Masuda; Brandon W. Whitefield; Tomás Llamas; Antti Pohjakallio; Phil S. Baran","Enantiospecific Total Synthesis of the Hapalindoles, Fischerindoles, and Welwitindolinones via a Redox Economic Approach","Journal of the American Chemical Society","2008","130","","17938","17954","10.1021/ja806981k","","","0.71073","MoKα","","0.0573","0.0481","","","0.1173","0.1231","","","","","","1.057","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4108943","11.4597","0.0016","11.4597","0.0016","12.611","0.003","90","","90","","120","","1434.3","0.4","296","2","296","2","","","","","","","","5","P 32","P 32","145","","","","- C20 H22 Cl N O2 -","- C20 H22 Cl N O2 -","- C60 H66 Cl3 N3 O6 -","3","1","","Jeremy M. Richter; Yoshihiro Ishihara; Takeshi Masuda; Brandon W. Whitefield; Tomás Llamas; Antti Pohjakallio; Phil S. Baran","Enantiospecific Total Synthesis of the Hapalindoles, Fischerindoles, and Welwitindolinones via a Redox Economic Approach","Journal of the American Chemical Society","2008","130","","17938","17954","10.1021/ja806981k","","","0.71073","MoKα","","0.1203","0.049","","","0.0949","0.114","","","","","","0.984","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108944","9.669","0.0019","13.587","0.003","19.429","0.004","90","","90","","90","","2552.4","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 Cl N2 O5 -","- C25 H35 Cl N2 O5 -","- C100 H140 Cl4 N8 O20 -","4","1","","Jeremy M. Richter; Yoshihiro Ishihara; Takeshi Masuda; Brandon W. Whitefield; Tomás Llamas; Antti Pohjakallio; Phil S. Baran","Enantiospecific Total Synthesis of the Hapalindoles, Fischerindoles, and Welwitindolinones via a Redox Economic Approach","Journal of the American Chemical Society","2008","130","","17938","17954","10.1021/ja806981k","","","0.71073","MoKα","","0.1034","0.0668","","","0.1641","0.187","","","","","","1.018","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108945","10.1296","0.0002","10.1296","0.0002","28.6766","0.001","90","","90","","120","","2548.25","0.11","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","3-1B","","","- C40 H46 Cl2 N2 O3 -","- C40 H46 Cl2 N2 O3 -","- C120 H138 Cl6 N6 O9 -","3","0.5","","Jeremy M. Richter; Yoshihiro Ishihara; Takeshi Masuda; Brandon W. Whitefield; Tomás Llamas; Antti Pohjakallio; Phil S. Baran","Enantiospecific Total Synthesis of the Hapalindoles, Fischerindoles, and Welwitindolinones via a Redox Economic Approach","Journal of the American Chemical Society","2008","130","","17938","17954","10.1021/ja806981k","","","1.54178","CuKα","","0.0344","0.0301","","","0.0647","0.0668","","","","","","1.021","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4108946","17.552","0.004","8.9917","0.0018","15.525","0.003","90","","120.61","0.03","90","","2108.8","1","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H25 Cl N O -","- C23 H25 Cl N O -","- C92 H100 Cl4 N4 O4 -","4","1","","Jeremy M. Richter; Yoshihiro Ishihara; Takeshi Masuda; Brandon W. Whitefield; Tomás Llamas; Antti Pohjakallio; Phil S. Baran","Enantiospecific Total Synthesis of the Hapalindoles, Fischerindoles, and Welwitindolinones via a Redox Economic Approach","Journal of the American Chemical Society","2008","130","","17938","17954","10.1021/ja806981k","","","0.71073","MoKα","","0.0906","0.0516","","","0.1124","0.1303","","","","","","1.009","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108947","8.8284","0.0008","10.9857","0.001","9.6627","0.0009","90","","108.057","0.001","90","","890.99","0.14","208","2","208","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C40 H46 N2 O8 -","2","1","","Jeremy M. Richter; Yoshihiro Ishihara; Takeshi Masuda; Brandon W. Whitefield; Tomás Llamas; Antti Pohjakallio; Phil S. Baran","Enantiospecific Total Synthesis of the Hapalindoles, Fischerindoles, and Welwitindolinones via a Redox Economic Approach","Journal of the American Chemical Society","2008","130","","17938","17954","10.1021/ja806981k","","","0.71073","MoKα","","0.0437","0.0377","","","0.0877","0.0934","","","","","","1.037","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108948","10.397","0.001","10.6917","0.001","13.8862","0.0013","81.785","0.002","78.731","0.002","88.759","0.002","1498.3","0.2","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H20 N O -","- C18 H20 N O -","- C72 H80 N4 O4 -","4","4","","Jeremy M. Richter; Yoshihiro Ishihara; Takeshi Masuda; Brandon W. Whitefield; Tomás Llamas; Antti Pohjakallio; Phil S. Baran","Enantiospecific Total Synthesis of the Hapalindoles, Fischerindoles, and Welwitindolinones via a Redox Economic Approach","Journal of the American Chemical Society","2008","130","","17938","17954","10.1021/ja806981k","","","0.71073","MoKα","","0.0794","0.0535","","","0.1123","0.1263","","","","","","1.007","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108949","8.386","0.002","36.605","0.007","8.415","0.002","90","","115.806","0.01","90","","2325.5","0.9","110.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 O4 Rh2 S2 -","- C22 H34 O4 Rh2 S2 -","- C88 H136 O16 Rh8 S8 -","4","1","","Hidetaka Nakai; Takashi Nonaka; Yousuke Miyano; Motohiro Mizuno; Yoshiki Ozawa; Koshiro Toriumi; Nobuaki Koga; Takanori Nishioka; Masahiro Irie; Kiyoshi Isobe","Photochromism of an Organorhodium Dithionite Complex in the Crystalline-State: Molecular Motion of Pentamethylcyclopentadienyl Ligands Coupled to Atom Rearrangement in a Dithionite Ligand","Journal of the American Chemical Society","2008","130","","17836","17845","10.1021/ja807150a","","","0.7107","MoKα","","","0.0788","","","","0.2424","","","","","","1.593","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108950","8.355","0.002","36.658","0.008","8.399","0.002","90","","115.26","0.01","90","","2326.5","1","110.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 O4 Rh2 S2 -","- C22 H34 O4.01 Rh2 S2 -","- C88 H136 O16.04 Rh8 S8 -","4","1","","Hidetaka Nakai; Takashi Nonaka; Yousuke Miyano; Motohiro Mizuno; Yoshiki Ozawa; Koshiro Toriumi; Nobuaki Koga; Takanori Nishioka; Masahiro Irie; Kiyoshi Isobe","Photochromism of an Organorhodium Dithionite Complex in the Crystalline-State: Molecular Motion of Pentamethylcyclopentadienyl Ligands Coupled to Atom Rearrangement in a Dithionite Ligand","Journal of the American Chemical Society","2008","130","","17836","17845","10.1021/ja807150a","","","0.7107","MoKα","","","0.0527","","","","0.1025","","","","","","0.959","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108951","8.336","0.002","36.721","0.008","8.429","0.002","90","","115.52","0.01","90","","2328.4","1","110.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 O4 Rh2 S2 -","- C22 H34 O4.02 Rh2 S2 -","- C88 H136 O16.08 Rh8 S8 -","4","1","","Hidetaka Nakai; Takashi Nonaka; Yousuke Miyano; Motohiro Mizuno; Yoshiki Ozawa; Koshiro Toriumi; Nobuaki Koga; Takanori Nishioka; Masahiro Irie; Kiyoshi Isobe","Photochromism of an Organorhodium Dithionite Complex in the Crystalline-State: Molecular Motion of Pentamethylcyclopentadienyl Ligands Coupled to Atom Rearrangement in a Dithionite Ligand","Journal of the American Chemical Society","2008","130","","17836","17845","10.1021/ja807150a","","","0.7107","MoKα","","","0.0391","","","","0.0774","","","","","","0.822","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108952","8.3917","0.0004","36.597","0.001","8.4326","0.0003","90","","115.989","0.001","90","","2327.86","0.15","110.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 O4 Rh2 S2 -","- C22 H34 O4 Rh2 S2 -","- C88 H136 O16 Rh8 S8 -","4","1","","Hidetaka Nakai; Takashi Nonaka; Yousuke Miyano; Motohiro Mizuno; Yoshiki Ozawa; Koshiro Toriumi; Nobuaki Koga; Takanori Nishioka; Masahiro Irie; Kiyoshi Isobe","Photochromism of an Organorhodium Dithionite Complex in the Crystalline-State: Molecular Motion of Pentamethylcyclopentadienyl Ligands Coupled to Atom Rearrangement in a Dithionite Ligand","Journal of the American Chemical Society","2008","130","","17836","17845","10.1021/ja807150a","","","0.7107","MoKα","","","0.0649","","","","0.146","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108953","8.3731","0.0004","36.612","0.002","8.4212","0.0004","90","","115.578","0.002","90","","2328.6","0.2","110.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 O4 Rh2 S2 -","- C22 H34 O3.99 Rh2 S2 -","- C88 H136 O15.96 Rh8 S8 -","4","1","","Hidetaka Nakai; Takashi Nonaka; Yousuke Miyano; Motohiro Mizuno; Yoshiki Ozawa; Koshiro Toriumi; Nobuaki Koga; Takanori Nishioka; Masahiro Irie; Kiyoshi Isobe","Photochromism of an Organorhodium Dithionite Complex in the Crystalline-State: Molecular Motion of Pentamethylcyclopentadienyl Ligands Coupled to Atom Rearrangement in a Dithionite Ligand","Journal of the American Chemical Society","2008","130","","17836","17845","10.1021/ja807150a","","","0.7107","MoKα","","","0.097","","","","0.2347","","","","","","1.157","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108954","8.3595","0.0004","36.647","0.002","8.4252","0.0004","90","","115.441","0.002","90","","2330.8","0.2","110.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 O4 Rh2 S2 -","- C22 H34 O4 Rh2 S2 -","- C88 H136 O16 Rh8 S8 -","4","1","","Hidetaka Nakai; Takashi Nonaka; Yousuke Miyano; Motohiro Mizuno; Yoshiki Ozawa; Koshiro Toriumi; Nobuaki Koga; Takanori Nishioka; Masahiro Irie; Kiyoshi Isobe","Photochromism of an Organorhodium Dithionite Complex in the Crystalline-State: Molecular Motion of Pentamethylcyclopentadienyl Ligands Coupled to Atom Rearrangement in a Dithionite Ligand","Journal of the American Chemical Society","2008","130","","17836","17845","10.1021/ja807150a","","","0.7107","MoKα","","","0.082","","","","0.2268","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108955","8.3631","0.0004","36.664","0.002","8.4047","0.0004","90","","115.262","0.001","90","","2330.6","0.2","110.2","","","","","","","","photo irradiation for 190h at 110K and keep in the dark for 12h at 293K","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 O4 Rh2 S2 -","- C22 H34 O4 Rh2 S2 -","- C88 H136 O16 Rh8 S8 -","4","1","","Hidetaka Nakai; Takashi Nonaka; Yousuke Miyano; Motohiro Mizuno; Yoshiki Ozawa; Koshiro Toriumi; Nobuaki Koga; Takanori Nishioka; Masahiro Irie; Kiyoshi Isobe","Photochromism of an Organorhodium Dithionite Complex in the Crystalline-State: Molecular Motion of Pentamethylcyclopentadienyl Ligands Coupled to Atom Rearrangement in a Dithionite Ligand","Journal of the American Chemical Society","2008","130","","17836","17845","10.1021/ja807150a","","","0.7107","MoKα","","","0.0809","","","","0.2261","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108956","7.147","0.0008","8.8352","0.001","27.978","0.003","90","","90","","90","","1766.7","0.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O3 S -","- C19 H25 N O3 S -","- C76 H100 N4 O12 S4 -","4","1","","Hiroki Mandai; Kyoko Mandai; Marc L. Snapper; Amir H. Hoveyda","Three-Component Ag-Catalyzed Enantioselective Vinylogous Mannich and Aza-Diels-Alder Reactions with Alkyl-Substituted Aldehydes","Journal of the American Chemical Society","2008","130","","17961","17969","10.1021/ja807243t","","","0.71073","MoKα","","0.0372","0.0358","","","0.0891","0.0903","","","","","","1.067","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108957","8.6986","0.0012","10.158","0.0014","19.095","0.003","90","","90","","90","","1687.2","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C72 H84 N4 O12 S4 -","4","1","","Hiroki Mandai; Kyoko Mandai; Marc L. Snapper; Amir H. Hoveyda","Three-Component Ag-Catalyzed Enantioselective Vinylogous Mannich and Aza-Diels-Alder Reactions with Alkyl-Substituted Aldehydes","Journal of the American Chemical Society","2008","130","","17961","17969","10.1021/ja807243t","","","0.71073","MoKα","","0.0351","0.0328","","","0.0778","0.0793","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108958","10.7977","0.0004","11.3149","0.0005","11.9339","0.0005","90","","116.223","0.001","90","","1307.96","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 F N O2 -","- C13 H17 F N O2 -","- C52 H68 F4 N4 O8 -","4","1","","Kanwal J. Singh; Alexander C. Hoepker; David B. Collum","Autocatalysis in Lithium Diisopropylamide-Mediated Ortholithiations","Journal of the American Chemical Society","2008","130","","18008","18017","10.1021/ja807331k","","","0.71073","MoKα","","0.0612","0.0415","","","0.1163","0.1267","","","","","","1.058","","","","has coordinates,has disorder","178835","2020-10-21","18:00:00",""
"4108959","8.7968","0.0004","14.4109","0.0006","10.9609","0.0005","90","","90","","90","","1389.51","0.11","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C12 H28 N2 Pd -","- C12 H28 N2 Pd -","- C48 H112 N8 Pd4 -","4","0.5","","John E. Bercaw; George S. Chen; Jay A. Labinger; Bo-Lin Lin","Hydrogen Tunneling in Protonolysis of Platinum(II) and Palladium(II) Methyl Complexes: Mechanistic Implications","Journal of the American Chemical Society","2008","130","","17654","17655","10.1021/ja807427d","","","0.71073","MoKα","","0.0553","0.0415","","","0.0743","0.0769","","","","","","1.379","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108960","6.9339","0.0003","39.6898","0.0005","7.2585","0.0002","90","","90","","90","","1997.58","0.11","293","2","293","2","","","","","","","synthesis as described","3","P n m a","-P 2ac 2n","62","","E,E-2,7-bis((2-phenyl)-ethenyl)-Benzo[2,1-b:3,4-b']dithiophene","","- C26 H18 S2 -","- C26 H18 S2 -","- C104 H72 S8 -","4","0.5","","Yahia Didane; Georg H. Mehl; Atsufumi Kumagai; Noriyuki Yoshimoto; Christine Videlot-Ackermann; Hugues Brisset","A ""Kite"" Shaped Styryl End-Capped Benzo[2,1-b:3,4-b']dithiophene with High Electrical Performances in Organic Thin Film Transistors","Journal of the American Chemical Society","2008","130","","17681","17683","10.1021/ja807504k","","x-ray","0.71073","MoKα","","0.1034","0.0483","","","0.0984","0.1288","","","","","","1.037","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108961","11.6797","0.0011","32.209","0.003","33.262","0.003","90","","90","","90","","12513","2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C130 H153 Co4 N8 O9 -","- C130 H153 Co4 N8 O9 -","- C520 H612 Co16 N32 O36 -","4","1","","Wataru Hirahata; Renee M. Thomas; Emil B. Lobkovsky; Geoffrey W. Coates","Enantioselective Polymerization of Epoxides: A Highly Active and Selective Catalyst for the Preparation of Stereoregular Polyethers and Enantiopure Epoxides","Journal of the American Chemical Society","2008","130","","17658","17659","10.1021/ja807709j","","","0.71073","MoKα","","0.0963","0.0496","","","0.092","0.0995","","","","","","0.903","","","","has coordinates,has disorder","178835","2020-10-21","18:00:00",""
"4108962","13.413","0.0016","13.413","0.0016","17.257","0.003","90","","90","","90","","3104.7","0.8","100","2","100","2","","","","","","","","8","P 4 n c","P 4 -2n","104","","","","- C4 H30 I K2 N2 O24 P8 Pt2 -","- C4 H6 I K2 N2 O24 P8 Pt2 -","- C16 H24 I4 K8 N8 O96 P32 Pt8 -","4","0.5","","Hiroaki Iguchi; Shinya Takaishi; Takashi Kajiwara; Hitoshi Miyasaka; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto","Mixed Charge-Ordering State of MMX-Type Quasi-One-Dimensional Iodide-Bridged Platinum Complexes with Binary Countercations","Journal of the American Chemical Society","2008","130","","17668","17669","10.1021/ja807901p","","","0.71073","MoKα","","0.0305","0.0233","","","0.056","0.0577","","","","","","0.983","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108963","14.5404","0.0006","15.7053","0.0008","22.1506","0.0014","90","","90","","90","","5058.3","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H31 Fe O2 P Si -","- C26 H31 Fe O2 P Si -","- C208 H248 Fe8 O16 P8 Si8 -","8","1","","Masaaki Okazaki; Takahiko Yoshitomi; Junpei Naito; Akira Sato; Takashi Komuro; Hiromi Tobita","Recombination of an Fe-Si-P Linkage to an Fe-P-Si Linkage through an Isolable Intermediate Phosphasilaferracyclopropane","Journal of the American Chemical Society","2008","130","","17674","17675","10.1021/ja808443v","","x-ray","0.71069","MoKα","","0.0949","0.0721","","","0.1569","0.1672","","","","","","1.201","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108964","14.7697","0.0004","15.3225","0.0005","11.5537","0.0004","90","","98.5242","0.0007","90","","2585.82","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H43 Fe O P Si -","- C25 H43 Fe O P Si -","- C100 H172 Fe4 O4 P4 Si4 -","4","1","","Masaaki Okazaki; Takahiko Yoshitomi; Junpei Naito; Akira Sato; Takashi Komuro; Hiromi Tobita","Recombination of an Fe-Si-P Linkage to an Fe-P-Si Linkage through an Isolable Intermediate Phosphasilaferracyclopropane","Journal of the American Chemical Society","2008","130","","17674","17675","10.1021/ja808443v","","x-ray","0.71069","MoKα","","0.0392","0.0321","","","0.0852","0.0932","","","","","","1.244","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108965","8.3642","0.0004","36.67","0.002","8.4039","0.0004","90","","115.267","0.002","90","","2331","0.2","110.2","","","","","","","","photo irradiation for 190h at 110K and keep in the dark for 84h at 293K","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 O4 Rh2 S2 -","- C22 H34 O3.98 Rh2 S2 -","- C88 H136 O15.92 Rh8 S8 -","4","1","","Hidetaka Nakai; Takashi Nonaka; Yousuke Miyano; Motohiro Mizuno; Yoshiki Ozawa; Koshiro Toriumi; Nobuaki Koga; Takanori Nishioka; Masahiro Irie; Kiyoshi Isobe","Photochromism of an Organorhodium Dithionite Complex in the Crystalline-State: Molecular Motion of Pentamethylcyclopentadienyl Ligands Coupled to Atom Rearrangement in a Dithionite Ligand","Journal of the American Chemical Society","2008","130","","17836","17845","10.1021/ja807150a","","","0.7107","MoKα","","","0.0755","","","","0.2092","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108966","16.3466","0.0018","16.3466","0.0018","42.227","0.009","90","","90","","120","","9772","3","193","2","193","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C108 H95 Cl12 Fe Mn6 N24 Nb6 O17 -","- C108 H84 Cl12 Fe Mn6 N24 Nb6 O17.04 -","- C324 H252 Cl36 Fe3 Mn18 N72 Nb18 O51.12 -","3","0.166667","","Jianjun Zhang; Abdessadek Lachgar","Superexpanded Prussian-Blue Analogue with [Fe(CN)6]4-, [Nb6Cl12(CN)6]4-, and [Mn(salen)]+ as Building Units","Journal of the American Chemical Society","2007","129","","250","251","10.1021/ja066104c","","","0.71073","MoKα","","0.0672","0.0528","","","0.1225","0.1282","","","","","","1.102","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108967","7.531","0.001","14.291","0.002","14.92","0.003","90","","90","","90","","1605.8","0.4","243.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 Mn2 N8 O3 -","- C9 H15 Mn2 N8 O2 -","- C36 H60 Mn8 N32 O8 -","4","1","","Wakako Kaneko; Susumu Kitagawa; Masaaki Ohba","Chiral Cyanide-Bridged MnIIMnIII Ferrimagnets, [MnII(HL)(H2O)][MnIII(CN)6].2H2O (L = S- or R-1,2-diaminopropane): Syntheses, Structures, and Magnetic Behaviors","Journal of the American Chemical Society","2007","129","","248","249","10.1021/ja066140b","","","0.7107","MoKα","","","0.032","","","","0.0838","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108968","7.5145","0.0005","14.261","0.001","14.844","0.001","90","","90","","90","","1590.75","0.19","243.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 Mn2 N8 O3 -","- C9 H15 Mn2 N8 O2 -","- C36 H60 Mn8 N32 O8 -","4","1","","Wakako Kaneko; Susumu Kitagawa; Masaaki Ohba","Chiral Cyanide-Bridged MnIIMnIII Ferrimagnets, [MnII(HL)(H2O)][MnIII(CN)6].2H2O (L = S- or R-1,2-diaminopropane): Syntheses, Structures, and Magnetic Behaviors","Journal of the American Chemical Society","2007","129","","248","249","10.1021/ja066140b","","","0.7107","MoKα","","","0.0422","","","","0.116","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108969","7.541","0.001","14.318","0.002","14.94","0.003","90","","89.992","0.002","90","","1613.1","0.4","243.1","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H17 Mn2 N8 O3 -","- C9 H13 Mn2 N8 O2 -","- C36 H52 Mn8 N32 O8 -","4","1","","Wakako Kaneko; Susumu Kitagawa; Masaaki Ohba","Chiral Cyanide-Bridged MnIIMnIII Ferrimagnets, [MnII(HL)(H2O)][MnIII(CN)6].2H2O (L = S- or R-1,2-diaminopropane): Syntheses, Structures, and Magnetic Behaviors","Journal of the American Chemical Society","2007","129","","248","249","10.1021/ja066140b","","","0.7107","MoKα","","","0.079","","","","0.2168","","","","","","1.925","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108970","10.653","0.002","14.545","0.003","21.789","0.004","90","","90","","90","","3376.2","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C136 H176 N16 O16 -","8","1","","Mukund P. Sibi; Levi M. Stanley; Xiaoping Nie; Lakshmanan Venkatraman; Mei Liu; Craig P. Jasperse","The Role of Achiral Pyrazolidinone Templates in Enantioselective Diels-Alder Reactions: Scope, Limitations, and Conformational Insights","Journal of the American Chemical Society","2007","129","","395","405","10.1021/ja066425o","","","0.71073","MoKα","","0.174","0.0475","","","0.0917","0.1327","","","","","","0.941","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108971","10.418","0.002","22.807","0.005","7.876","0.0016","90","","112.21","0.03","90","","1732.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Mukund P. Sibi; Levi M. Stanley; Xiaoping Nie; Lakshmanan Venkatraman; Mei Liu; Craig P. Jasperse","The Role of Achiral Pyrazolidinone Templates in Enantioselective Diels-Alder Reactions: Scope, Limitations, and Conformational Insights","Journal of the American Chemical Society","2007","129","","395","405","10.1021/ja066425o","","","0.71073","MoKα","","0.1877","0.0492","","","0.0872","0.1226","","","","","","0.916","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108972","14.6499","0.0003","14.5155","0.0003","19.163","0.0004","90","","90.96","0.001","90","","4074.45","0.15","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C96 H80 Cu2 I2 P4 -","- C96 H80 Cu2 I2 P4 -","- C192 H160 Cu4 I4 P8 -","2","1","","Shun-Yi Wang; Shun-Jun Ji; Teck-Peng Loh","Cu(I) Tol-BINAP-Catalyzed Enantioselective Michael Reactions of Grignard Reagents and Unsaturated Esters","Journal of the American Chemical Society","2007","129","","276","277","10.1021/ja0666046","","","0.71073","MoKα","","0.0844","0.0365","","","0.0674","0.0925","","","","","","1.022","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108973","12.0843","0.0007","14.9833","0.0008","16.5629","0.0009","90","","100.734","0.001","90","","2946.4","0.3","153","2","153","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C22 H31 B F3 N8 O6 P S W -","- C22 H31 B F3 N8 O6 P S W -","- C88 H124 B4 F12 N32 O24 P4 S4 W4 -","4","1","","David A. Delafuente; George W. Kosturko; Peter M. Graham; W. Hill Harman; William H. Myers; Yogesh Surendranath; Rachel C. Klet; Kevin D. Welch; Carl O. Trindle; Michal Sabat; W. Dean Harman","Isomerization Dynamics and Control of the η2/N Equilibrium for Pyridine Complexes","Journal of the American Chemical Society","2007","129","","406","416","10.1021/ja066623f","","","0.71073","MoKα","","0.0429","0.0307","","","0.0609","0.0638","","","","","","0.937","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108974","20.934","0.004","6.895","0.0014","12.745","0.003","90","","93.88","0.03","90","","1835.4","0.7","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C76 H88 O24 -","4","1","","K. C. Nicolaou; Scott T. Harrison","Total Synthesis of Abyssomicin C, Atrop-abyssomicin C, and Abyssomicin D: Implications for Natural Origins of Atrop-abyssomicin C","Journal of the American Chemical Society","2007","129","","429","440","10.1021/ja067083p","","","0.71073","MoKα","","0.0588","0.0462","","","0.1096","0.1169","","","","","","1.069","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108975","19.187","0.004","9.2491","0.0018","12.923","0.003","90","","101.35","0.03","90","","2248.5","0.9","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C43 H53 Cl2 O10 S4 -","- C43 H53 Cl2 O10 S4 -","- C86 H106 Cl4 O20 S8 -","2","0.5","","K. C. Nicolaou; Scott T. Harrison","Total Synthesis of Abyssomicin C, Atrop-abyssomicin C, and Abyssomicin D: Implications for Natural Origins of Atrop-abyssomicin C","Journal of the American Chemical Society","2007","129","","429","440","10.1021/ja067083p","","","0.71073","MoKα","","0.0557","0.0532","","","0.1481","0.1511","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108976","7.3503","0.0015","11.878","0.002","33.132","0.007","90","","90","","90","","2892.7","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Br2 N4 O5 -","- C27 H22 Br2 N4 O5 -","- C108 H88 Br8 N16 O20 -","4","1","","Carrie E. Aroyan; Scott J. Miller","Enantioselective Rauhut-Currier Reactions Promoted by Protected Cysteine","Journal of the American Chemical Society","2007","129","","256","257","10.1021/ja067139f","","","0.71073","MoKα","","0.0891","0.0521","","","0.1252","0.1417","","","","","","1.008","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108977","10.636","0.005","28.815","0.005","31.319","0.005","90","0.005","90","0.005","90","0.005","9599","5","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C108 H115 N9 O18 -","- C108 H115 N9 O18 -","- C432 H460 N36 O72 -","4","1","","Thomas B. Poulsen; Luca Bernardi; José Alemán; Jacob Overgaard; Karl Anker Jørgensen","Organocatalytic Asymmetric Direct α-Alkynylation of Cyclic β-Ketoesters","Journal of the American Chemical Society","2007","129","","441","449","10.1021/ja067289q","","x-ray","0.71069","MoKα","","0.1586","0.1225","","","0.3066","0.3288","","","","","","1.029","","","","has coordinates,has disorder","178835","2020-10-21","18:00:00",""
"4108978","4.7314","0.0009","9.4083","0.0019","23.648","0.005","90","","90","","90","","1052.7","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O5 -","- C10 H11 N O5 -","- C40 H44 N4 O20 -","4","1","","S. S. V. Ramasastry; Haile Zhang; Fujie Tanaka; Carlos F. Barbas","Direct Catalytic Asymmetric Synthesis of anti-1,2-Amino Alcohols and syn-1,2-Diols through Organocatalytic anti-Mannich and syn-Aldol Reactions","Journal of the American Chemical Society","2007","129","","288","289","10.1021/ja0677012","","","0.71073","MoKα","","0.0417","0.0377","","","0.0943","0.0973","","","","","","1.059","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108979","7.88","0.02","7.034","0.012","13.89","0.03","90","","97.6","0.03","90","","763","3","193.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 F N O4 -","- C18 H14 F N O4 -","- C36 H28 F2 N2 O8 -","2","1","","Masato Ito; Ayaka Sakaguchi; Chika Kobayashi; Takao Ikariya","Chemoselective Hydrogenation of Imides Catalyzed by Cp*Ru(PN) Complexes and Its Application to the Asymmetric Synthesis of Paroxetine","Journal of the American Chemical Society","2007","129","","290","291","10.1021/ja067777y","","","0.7107","MoKα","","","0.051","","","","0.154","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108980","6.769","0.005","8.058","0.006","28.09","0.02","90","","90","","90","","1532.2","1.9","193.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 F N O3 -","- C18 H16 F N O3 -","- C72 H64 F4 N4 O12 -","4","1","","Masato Ito; Ayaka Sakaguchi; Chika Kobayashi; Takao Ikariya","Chemoselective Hydrogenation of Imides Catalyzed by Cp*Ru(PN) Complexes and Its Application to the Asymmetric Synthesis of Paroxetine","Journal of the American Chemical Society","2007","129","","290","291","10.1021/ja067777y","","","0.7107","MoKα","","","0.043","","","","0.123","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108981","7.4534","0.0012","7.9041","0.0013","7.9896","0.0013","106.47","0.002","93.962","0.003","113.016","0.003","406.72","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","UO2(Ac)2(Meimid)2 (Ac = CH3COO, Meimid = 1-methyl-imidazole)","","","- C12 H18 N4 O6 U -","- C12 H18 N4 O6 U -","- C12 H18 N4 O6 U -","1","0.5","","Keith E. Gutowski; Violina A. Cocalia; Scott T. Griffin; Nicholas J. Bridges; David A. Dixon; Robin D. Rogers","Interactions of 1-Methylimidazole with UO2(CH3CO2)2 and UO2(NO3)2: Structural, Spectroscopic, and Theoretical Evidence for Imidazole Binding to the Uranyl Ion","Journal of the American Chemical Society","2007","129","","526","536","10.1021/ja064592i","","","0.71073","MoKα","","0.0182","0.0182","","","0.0464","0.0464","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108982","16.2538","0.0003","16.2538","0.0003","16.2538","0.0003","90","","90","","90","","4294.03","0.14","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","O[Ir[(C6H3Me2)]3]2","Oxobis(tris(dimethylphenyl)iridium(IV)) deuterodichloromethane solvate","","- C49 H54 Cl2 D2 Ir2 O -","- C49.0002 H56.0004 Cl2 Ir2 O -","- C196.001 H224.002 Cl8 Ir8 O4 -","4","0.166667","","Kevin C. Fortner; David S. Laitar; John Muldoon; Lihung Pu; Sonja B. Braun-Sand; Olaf Wiest; Seth N. Brown","Ultrafast and Ultraslow Oxygen Atom Transfer Reactions between Late Metal Centers","Journal of the American Chemical Society","2007","129","","588","600","10.1021/ja065713h","","","0.71073","MoKα","","0.0177","0.0156","","0.0396","","0.0385","","","1.082","","","1.094","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108983","7.5383","0.0006","18.2795","0.0013","19.8407","0.0013","88.622","0.001","87.493","0.002","89.223","0.001","2730.4","0.3","243","2","243","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H16 O6 -","- C14 H16 O6 -","- C112 H128 O48 -","8","4","","Mingji Dai; David Sarlah; Maolin Yu; Samuel J. Danishefsky; Gavin O. Jones; K. N. Houk","Highly Selective Diels-Alder Reactions of Directly Connected Enyne Dienophiles","Journal of the American Chemical Society","2007","129","","645","657","10.1021/ja065762u","","","0.71073","MoKα","","0.1155","0.0528","","","0.1343","0.1578","","","","","","1.048","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108984","13.4646","0.0002","13.4646","0.0002","59.9213","0.001","90","","90","","120","","9408","0.3","150","1","150","1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C45 H75 Cl2 Mn5 N24 O7 -","- C45 H75 Cl2 Mn5 N24 O7 -","- C270 H450 Cl12 Mn30 N144 O42 -","6","0.333333","","Chen-I Yang; Wolfgang Wernsdorfer; Gene-Hsiang Lee; Hui-Lien Tsai","A Pentanuclear Manganese Single-Molecule Magnet with a Large Anisotropy","Journal of the American Chemical Society","2007","129","","456","457","10.1021/ja066533a","","","0.71073","MoKα","","0.0475","0.0374","","","0.0817","0.0855","","","","","","1.11","","","","has coordinates,has disorder","178835","2020-10-21","18:00:00",""
"4108985","6.9329","0.0003","10.8831","0.0005","13.8384","0.0007","109.777","0.001","101.603","0.001","94.201","0.001","951.09","0.08","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H30 Zn2 -","- C20 H30 Zn2 -","- C40 H60 Zn4 -","2","1","","Abdessamad Grirrane; Irene Resa; Amor Rodriguez; Ernesto Carmona; Eleuterio Alvarez; Enrique Gutierrez-Puebla; Angeles Monge; Agustín Galindo; Diego del Río; Richard A. Andersen","Zinc-Zinc Bonded Zincocene Structures. Synthesis and Characterization of Zn2(η5-C5Me5)2 and Zn2(η5-C5Me4Et)2","Journal of the American Chemical Society","2007","129","","693","703","10.1021/ja0668217","","","0.71073","MoKα","","0.0485","0.031","","","0.0726","0.0759","","","","","","0.988","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108986","7.0428","0.0004","10.3194","0.0006","14.8036","0.0009","86.446","0.002","89.191","0.002","76.599","0.002","1044.58","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H34 Zn2 -","- C22 H34 Zn2 -","- C44 H68 Zn4 -","2","1","","Abdessamad Grirrane; Irene Resa; Amor Rodriguez; Ernesto Carmona; Eleuterio Alvarez; Enrique Gutierrez-Puebla; Angeles Monge; Agustín Galindo; Diego del Río; Richard A. Andersen","Zinc-Zinc Bonded Zincocene Structures. Synthesis and Characterization of Zn2(η5-C5Me5)2 and Zn2(η5-C5Me4Et)2","Journal of the American Chemical Society","2007","129","","693","703","10.1021/ja0668217","","","0.71073","MoKα","","0.0489","0.0326","","","0.0768","0.0833","","","","","","1.037","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108987","8.1668","0.0006","8.1758","0.0006","10.7877","0.001","67.755","0.002","77.755","0.003","75.47","0.002","639.83","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H46 N2 O2 Zn2 -","- C22 H46 N2 O2 Zn2 -","- C22 H46 N2 O2 Zn2 -","1","0.5","","Abdessamad Grirrane; Irene Resa; Amor Rodriguez; Ernesto Carmona; Eleuterio Alvarez; Enrique Gutierrez-Puebla; Angeles Monge; Agustín Galindo; Diego del Río; Richard A. Andersen","Zinc-Zinc Bonded Zincocene Structures. Synthesis and Characterization of Zn2(η5-C5Me5)2 and Zn2(η5-C5Me4Et)2","Journal of the American Chemical Society","2007","129","","693","703","10.1021/ja0668217","","","0.71073","MoKα","","0.0456","0.0383","","","0.0998","0.1035","","","","","","1.079","","","","has coordinates,has disorder","178835","2020-10-21","18:00:00",""
"4108988","12.432","0.004","17.46","0.005","31.649","0.009","90","","101.751","0.012","90","","6726","3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H58 F20 N6 Si2 -","- C76 H58 F20 N6 Si2 -","- C304 H232 F80 N24 Si8 -","4","1","","Masaaki Suzuki; Atsuhiro Osuka","Cross-Bridging Reaction of 5,20-Diethynyl Substituted Hexaphyrins to Vinylene-Bridged Hexaphyrins","Journal of the American Chemical Society","2007","129","","464","465","10.1021/ja067102v","","","0.71075","MoKα","","0.223","0.0758","","","0.1636","0.2246","","","","","","0.862","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108989","17.0582","0.0018","15.5874","0.0017","14.5782","0.0016","90","","98.29","0.002","90","","3835.7","0.7","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C78 H30 Cl2 F20 N6 O6 Zn2 -","- C78 H30 Cl2 F20 N6 O6 Zn2 -","- C156 H60 Cl4 F40 N12 O12 Zn4 -","2","1","","Masaaki Suzuki; Atsuhiro Osuka","Cross-Bridging Reaction of 5,20-Diethynyl Substituted Hexaphyrins to Vinylene-Bridged Hexaphyrins","Journal of the American Chemical Society","2007","129","","464","465","10.1021/ja067102v","","","0.71073","MoKα","","0.126","0.0912","","","0.2555","0.292","","","","","","1.06","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108990","8.39","0.005","13.865","0.009","15.169","0.007","95.39","0.02","103.75","0.02","96.1","0.02","1691.3","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H56 F20 N6 Si2 -","- C76 H56 F20 N6 Si2 -","- C76 H56 F20 N6 Si2 -","1","0.5","","Masaaki Suzuki; Atsuhiro Osuka","Cross-Bridging Reaction of 5,20-Diethynyl Substituted Hexaphyrins to Vinylene-Bridged Hexaphyrins","Journal of the American Chemical Society","2007","129","","464","465","10.1021/ja067102v","","","0.71075","MoKα","","0.1085","0.0733","","","0.1976","0.222","","","","","","1.072","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108991","13.7096","0.0009","7.1732","0.0005","14.135","0.0009","90","","110.494","0.004","90","","1302.08","0.15","150","2","150","2","","","","","","","S. Djurdjevic, SDCDM/Ex1","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 N3 -","- C19 H11 N3 -","- C76 H44 N12 -","4","1","","Smilja Djurdjevic; David A. Leigh; Hamish McNab; Simon Parsons; Gilberto Teobaldi; Francesco Zerbetto","Extremely Strong and Readily Accessible AAA-DDD Triple Hydrogen Bond Complexes","Journal of the American Chemical Society","2007","129","","476","477","10.1021/ja067410t","","","0.71073","MoKα","","0.069","0.0431","","","0.1002","0.1087","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108992","13.3373","0.0009","7.1636","0.0005","26.4564","0.0018","90","","90","","90","","2527.7","0.3","150","2","150","2","","","","","","","S. Djurdjevic SD2H/DDD","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C128 H112 N16 O16 -","8","1","","Smilja Djurdjevic; David A. Leigh; Hamish McNab; Simon Parsons; Gilberto Teobaldi; Francesco Zerbetto","Extremely Strong and Readily Accessible AAA-DDD Triple Hydrogen Bond Complexes","Journal of the American Chemical Society","2007","129","","476","477","10.1021/ja067410t","","","0.71073","MoKα","","0.0621","0.0437","","","0.0964","0.1041","","","","","","1.053","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108993","17.124","0.003","6.0143","0.0009","12.8665","0.0019","90","","90","","90","","1325.1","0.4","273","2","273","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15.5 H25.5 O3 -","- C14 H25 O3.5 -","- C56 H100 O14 -","4","1","","Michael J. Williams; Holly L. Deak; Marc L. Snapper","Intramolecular Cyclobutadiene Cycloaddition/Cyclopropanation/Thermal Rearrangement: An Effective Strategy for the Asymmetric Syntheses of Pleocarpenene and Pleocarpenone","Journal of the American Chemical Society","2007","129","","486","487","10.1021/ja0674340","","","0.71073","MoKα","","0.0408","0.0402","","","0.106","0.1069","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108994","16.19","0.005","27.376","0.008","14.093","0.004","90","","90","","90","","6246","3","90","2","90","2","","","","","","","","2","C m c 21","C 2c -2","36","pentaindenocorannulene","pentaindeno[1,2,3-bc; 1',2',3'-ef; 1'',2'',3''-hi; 1'''',2'''',3''''-no]corannulene","","- C53.5 H24 -","- C53.5 H24 -","- C428 H192 -","8","1","","Edward A. Jackson; Brian D. Steinberg; Mihail Bancu; Atsushi Wakamiya; Lawrence T. Scott","Pentaindenocorannulene and Tetraindenocorannulene: New Aromatic Hydrocarbon π Systems with Curvatures Surpassing That of C60","Journal of the American Chemical Society","2007","129","","484","485","10.1021/ja067487h","","","0.7107","MoKα","","0.1133","0.0944","","","0.2344","0.2542","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108995","8.555","0.003","26.233","0.008","11.072","0.003","90","","90","","90","","2484.8","1.3","123","2","123","2","","","","","","","","2","P n m a","-P 2ac 2n","62","tetraindenocorannulene","tetraindeno[1,2,3-bc; 1',2',3'-ef; 1'',2'',3''-hi; 1''',2''',3'''-kl]corannulene","","- C44 H18 -","- C44 H18 -","- C176 H72 -","4","0.5","","Edward A. Jackson; Brian D. Steinberg; Mihail Bancu; Atsushi Wakamiya; Lawrence T. Scott","Pentaindenocorannulene and Tetraindenocorannulene: New Aromatic Hydrocarbon π Systems with Curvatures Surpassing That of C60","Journal of the American Chemical Society","2007","129","","484","485","10.1021/ja067487h","","","0.7107","MoKα","","0.0651","0.0582","","","0.1195","0.1235","","","","","","1.193","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108996","8.44","0.0015","7.1595","0.0013","10.6031","0.0018","90","","100.891","0.003","90","","629.16","0.19","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H14 Br N O -","- C13 H14 Br N O -","- C26 H28 Br2 N2 O2 -","2","1","","Andre J. B. Lapierre; Steven J. Geib; Dennis P. Curran","Low-Temperature Heck Reactions of Axially Chiral o-Iodoacrylanilides Occur with Chirality Transfer: Implications for Catalytic Asymmetric Heck Reactions","Journal of the American Chemical Society","2007","129","","494","495","10.1021/ja067790i","","","0.71073","MoKα","","0.077","0.0528","","","0.1269","0.1398","","","","","","0.967","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108997","6.5577","0.0007","13.4492","0.0013","16.1147","0.0016","90","","90","","90","","1421.2","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Br I N O -","- C13 H15 Br I N O -","- C52 H60 Br4 I4 N4 O4 -","4","1","","Andre J. B. Lapierre; Steven J. Geib; Dennis P. Curran","Low-Temperature Heck Reactions of Axially Chiral o-Iodoacrylanilides Occur with Chirality Transfer: Implications for Catalytic Asymmetric Heck Reactions","Journal of the American Chemical Society","2007","129","","494","495","10.1021/ja067790i","","","0.71073","MoKα","","0.0156","0.0148","","","0.0372","0.0375","","","","","","0.858","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108998","6.7838","0.0003","5.0683","0.0002","20.4498","0.0009","90","","94.454","0.002","90","","700.99","0.05","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","","Jennifer E. Davoren; Stephen F. Martin","Enantioselective Synthesis and Structure Revision of Solandelactone E","Journal of the American Chemical Society","2007","129","","510","511","10.1021/ja068270q","","","0.71073","MoKα","","0.1403","0.0573","","","0.1073","0.1301","","","","","","1.012","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108999","9.1393","0.0008","13.3909","0.0013","12.5744","0.001","90","","109.609","0.005","90","","1449.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TTf+ Car-","Tetrathiafulvalenium Dodecamethylcarba-closo-dodecaboranate","","- C19 H40 B11 S4 -","- C19 H40 B11 S4 -","- C38 H80 B22 S8 -","2","0.5","","Sergiy V. Rosokha; Jay K. Kochi","Molecular and Electronic Structures of the Long-Bonded π-Dimers of Tetrathiafulvalene Cation-Radical in Intermolecular Electron Transfer and in (Solid-State) Conductivity","Journal of the American Chemical Society","2007","129","","828","838","10.1021/ja064166x","","","0.71073","MoKα","","0.0514","0.0454","","","0.1292","0.1319","","","","","","1.109","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4109000","6.9849","0.001","10.1656","0.0015","17.697","0.003","77.32","0.002","82.054","0.002","73.833","0.002","1173.5","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H52 O6 -","- C60 H52 O6 -","- C60 H52 O6 -","1","0.5","","Tinh-Alfredo V. Khuong; Hung Dang; Peter D. Jarowski; Emily F. Maverick; Miguel A. Garcia-Garibay","Rotational Dynamics in a Crystalline Molecular Gyroscope by Variable-Temperature 13C NMR,2H NMR, X-Ray Diffraction, and Force Field Calculations","Journal of the American Chemical Society","2007","129","","839","845","10.1021/ja064325c","","","0.71073","MoKα","","0.1348","0.0611","","","0.1437","0.1753","","","","","","0.962","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109001","7.059","0.0012","10.1724","0.0017","17.82","0.003","77.152","0.003","81.507","0.003","73.412","0.003","1190.8","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H52 O6 -","- C60 H52 O6 -","- C60 H52 O6 -","1","0.5","","Tinh-Alfredo V. Khuong; Hung Dang; Peter D. Jarowski; Emily F. Maverick; Miguel A. Garcia-Garibay","Rotational Dynamics in a Crystalline Molecular Gyroscope by Variable-Temperature 13C NMR,2H NMR, X-Ray Diffraction, and Force Field Calculations","Journal of the American Chemical Society","2007","129","","839","845","10.1021/ja064325c","","","0.71073","MoKα","","0.1731","0.0657","","","0.1453","0.1871","","","","","","0.939","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109002","7.116","0.004","10.145","0.005","17.823","0.009","77.253","0.009","80.996","0.008","73.084","0.008","1194.8","1.1","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H52 O6 -","- C60 H52 O6 -","- C60 H52 O6 -","1","0.5","","Tinh-Alfredo V. Khuong; Hung Dang; Peter D. Jarowski; Emily F. Maverick; Miguel A. Garcia-Garibay","Rotational Dynamics in a Crystalline Molecular Gyroscope by Variable-Temperature 13C NMR,2H NMR, X-Ray Diffraction, and Force Field Calculations","Journal of the American Chemical Society","2007","129","","839","845","10.1021/ja064325c","","","0.71073","MoKα","","0.264","0.0656","","","0.1277","0.1772","","","","","","0.772","","","","has coordinates","212012","2020-10-21","18:00:00",""
"4109003","15.6669","0.0012","28.019","0.003","21.1975","0.0016","90","","96.944","0.001","90","","9236.8","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H48.67 Ir P2 -","- C32 H48.6667 Ir P2 -","- C384 H584 Ir12 P24 -","12","1.5","","Rajshekhar Ghosh; Xiawei Zhang; Patrick Achord; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Dimerization of Alkynes Promoted by a Pincer-Ligated Iridium Complex. C-C Reductive Elimination Inhibited by Steric Crowding","Journal of the American Chemical Society","2007","129","","853","866","10.1021/ja0647194","","","0.71073","MoKα","","0.0742","0.0434","","","0.0889","0.0987","","","","","","1.037","","","","has coordinates,has disorder","178836","2020-10-21","18:00:00",""
"4109004","9.0296","0.0011","10.7199","0.0013","20.151","0.002","103.081","0.002","99.055","0.002","100.91","0.002","1824.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H57 Ir P2 -","- C41 H57 Ir P2 -","- C82 H114 Ir2 P4 -","2","1","","Rajshekhar Ghosh; Xiawei Zhang; Patrick Achord; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Dimerization of Alkynes Promoted by a Pincer-Ligated Iridium Complex. C-C Reductive Elimination Inhibited by Steric Crowding","Journal of the American Chemical Society","2007","129","","853","866","10.1021/ja0647194","","","0.71073","MoKα","","0.0951","0.0677","","","0.1473","0.1568","","","","","","1.03","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109005","21.231","0.0015","7.9699","0.0006","41.317","0.003","90","","94.434","0.001","90","","6970.3","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H52 Ir O P2 -","- C37 H52 Ir O P2 -","- C296 H416 Ir8 O8 P16 -","8","1","","Rajshekhar Ghosh; Xiawei Zhang; Patrick Achord; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Dimerization of Alkynes Promoted by a Pincer-Ligated Iridium Complex. C-C Reductive Elimination Inhibited by Steric Crowding","Journal of the American Chemical Society","2007","129","","853","866","10.1021/ja0647194","","","0.71073","MoKα","","0.0513","0.0409","","","0.0847","0.0884","","","","","","1.009","","","","has coordinates,has disorder","178836","2020-10-21","18:00:00",""
"4109006","13.6792","0.0007","15.4032","0.0008","15.8231","0.0009","90","","111.056","0.001","90","","3111.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 Cl Ir P2 -","- C32 H50 Cl Ir P2 -","- C128 H200 Cl4 Ir4 P8 -","4","1","","Rajshekhar Ghosh; Xiawei Zhang; Patrick Achord; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Dimerization of Alkynes Promoted by a Pincer-Ligated Iridium Complex. C-C Reductive Elimination Inhibited by Steric Crowding","Journal of the American Chemical Society","2007","129","","853","866","10.1021/ja0647194","","","0.71073","MoKα","","0.024","0.0198","","","0.0489","0.0504","","","","","","1.004","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109007","11.6801","0.0011","10.7345","0.001","29.517","0.003","90","","97.617","0.001","90","","3668.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H55 Ir O P2 -","- C41 H55 Ir O P2 -","- C164 H220 Ir4 O4 P8 -","4","1","","Rajshekhar Ghosh; Xiawei Zhang; Patrick Achord; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Dimerization of Alkynes Promoted by a Pincer-Ligated Iridium Complex. C-C Reductive Elimination Inhibited by Steric Crowding","Journal of the American Chemical Society","2007","129","","853","866","10.1021/ja0647194","","","0.71073","MoKα","","0.0243","0.0202","","","0.0432","0.0446","","","","","","1.008","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109008","11.313","0.0008","39.671","0.003","9.3604","0.0007","90","","114.286","0.001","90","","3829.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H57 Ir O P2 -","- C42 H57 Ir O P2 -","- C168 H228 Ir4 O4 P8 -","4","1","","Rajshekhar Ghosh; Xiawei Zhang; Patrick Achord; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Dimerization of Alkynes Promoted by a Pincer-Ligated Iridium Complex. C-C Reductive Elimination Inhibited by Steric Crowding","Journal of the American Chemical Society","2007","129","","853","866","10.1021/ja0647194","","","0.71073","MoKα","","0.0792","0.0495","","","0.0853","0.0936","","","","","","1.01","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109009","13.7974","0.0006","15.2017","0.0007","20.0847","0.0009","90","","95.194","0.001","90","","4195.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H63 Ir O P2 -","- C50 H63 Ir O P2 -","- C200 H252 Ir4 O4 P8 -","4","1","","Rajshekhar Ghosh; Xiawei Zhang; Patrick Achord; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Dimerization of Alkynes Promoted by a Pincer-Ligated Iridium Complex. C-C Reductive Elimination Inhibited by Steric Crowding","Journal of the American Chemical Society","2007","129","","853","866","10.1021/ja0647194","","","0.71073","MoKα","","0.0507","0.0291","","","0.0606","0.0677","","","","","","1","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109010","33.617","0.002","10.3664","0.0006","20.5194","0.0012","90","","91.769","0.001","90","","7147.3","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H55 Ir P2 -","- C40 H55 Ir P2 -","- C320 H440 Ir8 P16 -","8","1","","Rajshekhar Ghosh; Xiawei Zhang; Patrick Achord; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Dimerization of Alkynes Promoted by a Pincer-Ligated Iridium Complex. C-C Reductive Elimination Inhibited by Steric Crowding","Journal of the American Chemical Society","2007","129","","853","866","10.1021/ja0647194","","","0.71073","MoKα","","0.0358","0.0288","","","0.0614","0.0633","","","","","","1.01","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109011","11.1749","0.0009","16.5519","0.0013","17.6922","0.0014","90","","97.355","0.001","90","","3245.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H50 Cl Ir O P2 -","- C33 H50 Cl Ir O P2 -","- C132 H200 Cl4 Ir4 O4 P8 -","4","1","","Rajshekhar Ghosh; Xiawei Zhang; Patrick Achord; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Dimerization of Alkynes Promoted by a Pincer-Ligated Iridium Complex. C-C Reductive Elimination Inhibited by Steric Crowding","Journal of the American Chemical Society","2007","129","","853","866","10.1021/ja0647194","","","0.71073","MoKα","","0.0195","0.0168","","","0.0398","0.0409","","","","","","1.009","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109012","11.4827","0.0011","14.1996","0.0012","14.2725","0.0008","105.075","0.005","92.968","0.006","101.382","0.007","2189.7","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","Compound 3","","","- C76 H14 B4 Cl8 F60 N2 O2 Tl4 -","- C76 H12 B4 Cl8 F60 N2 O2 Tl4 -","- C76 H12 B4 Cl8 F60 N2 O2 Tl4 -","1","0.5","","Yann Sarazin; David L. Hughes; Nikolas Kaltsoyannis; Joseph A. Wright; Manfred Bochmann","Thallium(I) Sandwich, Multidecker, and Ether Complexes Stabilized by Weakly-Coordinating Anions: A Spectroscopic, Structural, and Theoretical Investigation","Journal of the American Chemical Society","2007","129","","881","894","10.1021/ja0657105","","","0.71073","MoKα","","0.0386","0.0336","","","0.0816","0.0844","","","","","","1.092","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109013","12.2427","0.0005","13.9012","0.0004","19.1784","0.0006","84.244","0.002","86.754","0.003","87.66","0.003","3240.24","0.19","140","1","140","1","","","","","","","","7","P -1","-P 1","2","Compound 5b","","","- C62.5 H43 B2 Cl5 F30 N Tl -","- C62.5 H42 B2 Cl5 F30 N Tl -","- C125 H84 B4 Cl10 F60 N2 Tl2 -","2","1","","Yann Sarazin; David L. Hughes; Nikolas Kaltsoyannis; Joseph A. Wright; Manfred Bochmann","Thallium(I) Sandwich, Multidecker, and Ether Complexes Stabilized by Weakly-Coordinating Anions: A Spectroscopic, Structural, and Theoretical Investigation","Journal of the American Chemical Society","2007","129","","881","894","10.1021/ja0657105","","","0.71073","Mo-Kα","","0.0434","0.0319","","","0.0729","0.0753","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109014","10.0625","0.0009","11.6162","0.001","24.6374","0.0019","82.719","0.007","81.749","0.007","84.366","0.007","2817.6","0.4","180","2","140","1","","","","","","","","8","P -1","-P 1","2","Compound 6","","","- C107 H44 B4 Cl10 F60 Fe3 N2 Tl2 -","- C107 H44 B4 Cl10 F60 Fe3 N2 Tl2 -","- C107 H44 B4 Cl10 F60 Fe3 N2 Tl2 -","1","0.5","","Yann Sarazin; David L. Hughes; Nikolas Kaltsoyannis; Joseph A. Wright; Manfred Bochmann","Thallium(I) Sandwich, Multidecker, and Ether Complexes Stabilized by Weakly-Coordinating Anions: A Spectroscopic, Structural, and Theoretical Investigation","Journal of the American Chemical Society","2007","129","","881","894","10.1021/ja0657105","","","0.71073","MoKα","","0.1511","0.0669","","","0.159","0.177","","","","","","0.946","","","","has coordinates,has disorder","178836","2020-10-21","18:00:00",""
"4109015","12.4566","0.0003","15.7031","0.0006","16.4745","0.001","73.71","0.004","87.071","0.004","72.249","0.003","2943.8","0.2","140","1","140","1","","","","","","","","8","P -1","-P 1","2","Compound 11b","","","- C50 H30 B2 Cl4 F30 N O6 Tl -","- C50 H30 B2 Cl4 F30 N O6 Tl -","- C100 H60 B4 Cl8 F60 N2 O12 Tl2 -","2","1","","Yann Sarazin; David L. Hughes; Nikolas Kaltsoyannis; Joseph A. Wright; Manfred Bochmann","Thallium(I) Sandwich, Multidecker, and Ether Complexes Stabilized by Weakly-Coordinating Anions: A Spectroscopic, Structural, and Theoretical Investigation","Journal of the American Chemical Society","2007","129","","881","894","10.1021/ja0657105","","","0.71073","Mo-Kα","","0.039","0.0302","","","0.0805","0.0832","","","","","","1.052","","","","has coordinates,has disorder","178836","2020-10-21","18:00:00",""
"4109016","28.3882","0.0013","14.5749","0.0005","24.8491","0.0014","90","","105.688","0.004","90","","9898.4","0.8","140","2","140","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47.5 H20 B2 Cl3 F30 N Sn -","- C47.5 H20 B2 Cl3 F30 N Sn -","- C380 H160 B16 Cl24 F240 N8 Sn8 -","8","1","","Yann Sarazin; David L. Hughes; Nikolas Kaltsoyannis; Joseph A. Wright; Manfred Bochmann","Thallium(I) Sandwich, Multidecker, and Ether Complexes Stabilized by Weakly-Coordinating Anions: A Spectroscopic, Structural, and Theoretical Investigation","Journal of the American Chemical Society","2007","129","","881","894","10.1021/ja0657105","","","0.71073","Mo-Kα","","0.0848","0.0521","","","0.1269","0.1375","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109017","12.2481","0.0004","13.7603","0.0005","17.304","0.0006","86.556","0.002","76.904","0.002","87.12","0.002","2833.38","0.17","120","2","120","2","","","","","","","","7","P -1","-P 1","2","Compound 2b","","","- C52 H42 B2 F30 N O4 Tl -","- C52 H42 B2 F30 N O4 Tl -","- C104 H84 B4 F60 N2 O8 Tl2 -","2","1","","Yann Sarazin; David L. Hughes; Nikolas Kaltsoyannis; Joseph A. Wright; Manfred Bochmann","Thallium(I) Sandwich, Multidecker, and Ether Complexes Stabilized by Weakly-Coordinating Anions: A Spectroscopic, Structural, and Theoretical Investigation","Journal of the American Chemical Society","2007","129","","881","894","10.1021/ja0657105","","","0.71073","MoKα","","0.0799","0.0479","","","0.1058","0.113","","","","","","1.064","","","","has coordinates,has disorder","212012","2020-10-21","18:00:00",""
"4109018","13.781","0.005","18.151","0.008","21.698","0.014","90","","91.68","0.05","90","","5425","5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound 4b","","","- C57 H26 B2 F30 N Tl -","- C57 H26 B2 F30 N Tl -","- C228 H104 B8 F120 N4 Tl4 -","4","1","","Yann Sarazin; David L. Hughes; Nikolas Kaltsoyannis; Joseph A. Wright; Manfred Bochmann","Thallium(I) Sandwich, Multidecker, and Ether Complexes Stabilized by Weakly-Coordinating Anions: A Spectroscopic, Structural, and Theoretical Investigation","Journal of the American Chemical Society","2007","129","","881","894","10.1021/ja0657105","","","0.71073","MoKα","","0.071","0.0481","","","0.0752","0.081","","","","","","1.082","","","","has coordinates","212012","2020-10-21","18:00:00",""
"4109019","12.6228","0.0005","15.3039","0.0006","20.0687","0.0008","90","","90","","90","","3876.8","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1002FH ZH-760 C37H67BNO4Sn chiral xx1","","","- C37 H68 B N O4 Sn -","- C37 H68 B N O4 Sn -","- C148 H272 B4 N4 O16 Sn4 -","4","1","","Dagmar Kapeller; Roland Barth; Kurt Mereiter; Friedrich Hammerschmidt","Preparation of Chiral α-Oxy-[2H1]methyllithiums of 99% ee and Determination of Their Configurational Stability","Journal of the American Chemical Society","2007","129","","914","923","10.1021/ja066183s","","","0.71073","MoKα","","0.0172","0.0165","","","0.042","0.0424","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109020","7.5037","0.0006","31.613","0.003","8.2016","0.0007","90","","98.972","0.002","90","","1921.7","0.3","88","2","88","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(2,3-dimethylpyridinium) tetrabromocuprate","","- C14 H20 Br4 Cu N2 -","- C14 H20 Br4 Cu N2 -","- C56 H80 Br16 Cu4 N8 -","4","1","","Alexander Shapiro; Christopher P. Landee; Mark M. Turnbull; Joaquim Jornet; Mercè Deumal; Juan J. Novoa; Michael A. Robb; William Lewis","Synthesis, Structure, and Magnetic Properties of an Antiferromagnetic Spin-Ladder Complex: Bis(2,3-dimethylpyridinium) Tetrabromocuprate","Journal of the American Chemical Society","2007","129","","952","959","10.1021/ja066330m","","","0.71073","MoKα","","0.0573","0.0359","","","0.0672","0.0724","","","","","","1.039","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109021","10.3644","0.0012","12.56","0.0015","14.1755","0.0017","91.41","0.002","99.142","0.002","101.852","0.002","1779.9","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H63 Cl N2 P2 Pd -","- C34 H63 Cl N2 P2 Pd -","- C68 H126 Cl2 N4 P4 Pd2 -","2","1","","Joan Vignolle; Heinz Gornitzka; Laurent Maron; Wolfgang W. Schoeller; Didier Bourissou; Guy Bertrand","Transient Palladadiphosphanylcarbenes: Singlet Carbenes with an ""Inverse"" Electronic Configuration (pπ2 instead of σ2) and Unusual Transannular Metal-Carbene Interactions (πC\ρightarrowPd Donation and σPd\ρightarrowC Back-donation)","Journal of the American Chemical Society","2007","129","","978","985","10.1021/ja066738j","","","0.71073","MoKα","","0.049","0.0333","","","0.0815","0.0891","","","","","","1.033","","","","has coordinates,has disorder","178836","2020-10-21","18:00:00",""
"4109022","36.164","0.004","12.5747","0.0014","13.9696","0.0015","90","","90","","90","","6352.7","1.2","193","2","193","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C65 H92 B Cl4 N3 P2 Pd -","- C65 H92 B Cl4 N3 P2 Pd -","- C260 H368 B4 Cl16 N12 P8 Pd4 -","4","1","","Joan Vignolle; Heinz Gornitzka; Laurent Maron; Wolfgang W. Schoeller; Didier Bourissou; Guy Bertrand","Transient Palladadiphosphanylcarbenes: Singlet Carbenes with an ""Inverse"" Electronic Configuration (pπ2 instead of σ2) and Unusual Transannular Metal-Carbene Interactions (πC\ρightarrowPd Donation and σPd\ρightarrowC Back-donation)","Journal of the American Chemical Society","2007","129","","978","985","10.1021/ja066738j","","","0.71073","MoKα","","0.0622","0.0516","","","0.1024","0.1062","","","","","","1.073","","","","has coordinates,has disorder","178836","2020-10-21","18:00:00",""
"4109023","17.119","0.004","16.313","0.004","21.541","0.005","90","","110.272","0.004","90","","5643","2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H92 B N2 P3 Pd -","- C61 H92 B N2 P3 Pd -","- C244 H368 B4 N8 P12 Pd4 -","4","1","","Joan Vignolle; Heinz Gornitzka; Laurent Maron; Wolfgang W. Schoeller; Didier Bourissou; Guy Bertrand","Transient Palladadiphosphanylcarbenes: Singlet Carbenes with an ""Inverse"" Electronic Configuration (pπ2 instead of σ2) and Unusual Transannular Metal-Carbene Interactions (πC\ρightarrowPd Donation and σPd\ρightarrowC Back-donation)","Journal of the American Chemical Society","2007","129","","978","985","10.1021/ja066738j","","","0.71073","MoKα","","0.0822","0.0427","","","0.0912","0.1075","","","","","","0.997","","","","has coordinates,has disorder","178836","2020-10-21","18:00:00",""
"4109024","20.26","0.02","17.919","0.019","26.31","0.03","90","","96.99","0.02","90","","9481","17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H43.5 Al Cl6.88 N2 O2 -","- C49 H43.5 Al Cl6.9015 N2 O2 -","- C392 H348 Al8 Cl55.212 N16 O16 -","8","2","","Norito Takenaka; Joshua P. Abell; Hisashi Yamamoto","Asymmetric Conjugate Addition of Silyl Enol Ethers Catalyzed by Tethered Bis(8-quinolinolato) Aluminum Complexes","Journal of the American Chemical Society","2007","129","","742","743","10.1021/ja0668320","","","0.71073","MoKα","","0.1824","0.1504","","","0.266","0.282","","","","","","1.349","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109025","7.273","0.015","10.13","0.02","11.76","0.02","82.93","0.04","82.72","0.04","71.26","0.03","811","3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C40 H44 O6 -","2","1","","Norito Takenaka; Joshua P. Abell; Hisashi Yamamoto","Asymmetric Conjugate Addition of Silyl Enol Ethers Catalyzed by Tethered Bis(8-quinolinolato) Aluminum Complexes","Journal of the American Chemical Society","2007","129","","742","743","10.1021/ja0668320","","","0.71073","MoKα","","0.0738","0.0598","","","0.1447","0.1542","","","","","","0.997","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109026","13.9117","0.0013","24.058","0.002","18.0919","0.0017","90","","92.21","0.002","90","","6050.6","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H95 O6 P3 Pt3 Re2 -","- C48 H95 O6 P3 Pt3 Re2 -","- C192 H380 O24 P12 Pt12 Re8 -","4","1","","Richard D. Adams; Burjor Captain; Chad Beddie; Michael B. Hall","Photoreversible Multiple Additions of Hydrogen to a Highly Unsaturated Platinum-Rhenium Cluster Complex","Journal of the American Chemical Society","2007","129","","986","1000","10.1021/ja067028g","","","0.71073","MoKα","","0.0865","0.0501","","","0.101","0.1143","","","","","","1.004","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109027","13.9272","0.0013","23.991","0.002","18.0905","0.0016","90","","91.807","0.002","90","","6041.5","0.9","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H95 O6 P3 Pt3 Re2 -","- C48 H95 O6 P3 Pt3 Re2 -","- C192 H380 O24 P12 Pt12 Re8 -","4","1","","Richard D. Adams; Burjor Captain; Chad Beddie; Michael B. Hall","Photoreversible Multiple Additions of Hydrogen to a Highly Unsaturated Platinum-Rhenium Cluster Complex","Journal of the American Chemical Society","2007","129","","986","1000","10.1021/ja067028g","","","0.71073","MoKα","","0.1169","0.0515","","","0.1068","0.1303","","","","","","1.004","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109028","24.044","0.002","18.2218","0.0016","13.8953","0.0012","90","","90","","90","","6087.9","0.9","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C48 H95 O6 P3 Pt3 Re2 -","- C48 H95 O6 P3 Pt3 Re2 -","- C192 H380 O24 P12 Pt12 Re8 -","4","0.5","","Richard D. Adams; Burjor Captain; Chad Beddie; Michael B. Hall","Photoreversible Multiple Additions of Hydrogen to a Highly Unsaturated Platinum-Rhenium Cluster Complex","Journal of the American Chemical Society","2007","129","","986","1000","10.1021/ja067028g","","","0.71073","MoKα","","0.0639","0.0392","","","0.0856","0.0955","","","","","","1.044","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109029","14.7099","0.0006","23.4704","0.0009","17.7176","0.0007","90","","91.031","0.001","90","","6116","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H102 O6 P3 Pt3 Re2 -","- C52 H102 O6 P3 Pt3 Re2 -","- C208 H408 O24 P12 Pt12 Re8 -","4","1","","Richard D. Adams; Burjor Captain; Chad Beddie; Michael B. Hall","Photoreversible Multiple Additions of Hydrogen to a Highly Unsaturated Platinum-Rhenium Cluster Complex","Journal of the American Chemical Society","2007","129","","986","1000","10.1021/ja067028g","","","0.71073","MoKα","","0.0431","0.0342","","","0.0757","0.079","","","","","","1.06","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109030","11.777","0.0011","14.9566","0.0015","45.768","0.005","90","","92.098","0.002","90","","8056.3","1.4","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 O9 P Re2 -","- C21 H27 O9 P Re2 -","- C252 H324 O108 P12 Re24 -","12","3","","Richard D. Adams; Burjor Captain; Chad Beddie; Michael B. Hall","Photoreversible Multiple Additions of Hydrogen to a Highly Unsaturated Platinum-Rhenium Cluster Complex","Journal of the American Chemical Society","2007","129","","986","1000","10.1021/ja067028g","","","0.71073","MoKα","","0.0515","0.0331","","","0.0745","0.0856","","","","","","1.064","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109031","8.9858","0.0015","12.415","0.002","10.8491","0.0018","90","","95.168","0.002","90","","1205.4","0.3","173","2","173","2","","","","","","","synthesis as described","6","P 1 n 1","P -2yac","7","","","","- C18 H33 F I2 Ni P2 -","- C18 H33 F I2 Ni P2 -","- C36 H66 F2 I4 Ni2 P4 -","2","1","","Alana L. Keen; Meghan Doster; Samuel A. Johnson","1,4-Shifts in a Dinuclear Ni(I) Biarylyl Complex: A Mechanistic Study of C-H Bond Activation by Monovalent Nickel","Journal of the American Chemical Society","2007","129","","810","819","10.1021/ja067112w","","x-ray","0.71073","MoKα","","0.0447","0.0361","","","0.0877","0.0979","","","","","","1.099","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109032","19.576","0.002","28.862","0.003","13.9109","0.0015","90","","117.108","0.001","90","","6996.3","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H52 F4 Ni2 P4 -","- C30 H52 F4 Ni2 P4 -","- C240 H416 F32 Ni16 P32 -","8","1","","Alana L. Keen; Meghan Doster; Samuel A. Johnson","1,4-Shifts in a Dinuclear Ni(I) Biarylyl Complex: A Mechanistic Study of C-H Bond Activation by Monovalent Nickel","Journal of the American Chemical Society","2007","129","","810","819","10.1021/ja067112w","","","0.71073","MoKα","","0.0735","0.0608","","","0.119","0.124","","","","","","1.234","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109033","11.0586","0.0019","11.0586","0.0019","38.711","0.013","90","","90","","90","","4734","2","173","2","173","2","","","","","","","synthesis as described","4","I 41/a :2","-I 4ad","88","","","","- C24 H38 Ni P2 -","- C24 H38 Ni P2 -","- C192 H304 Ni8 P16 -","8","0.5","","Alana L. Keen; Meghan Doster; Samuel A. Johnson","1,4-Shifts in a Dinuclear Ni(I) Biarylyl Complex: A Mechanistic Study of C-H Bond Activation by Monovalent Nickel","Journal of the American Chemical Society","2007","129","","810","819","10.1021/ja067112w","","x-ray","0.71073","MoKα","","0.0458","0.0385","","","0.0878","0.0918","","","","","","1.152","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109034","12.42","0.003","14.719","0.003","21.426","0.005","90","","95.076","0.004","90","","3901.5","1.5","223","2","223","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H51 F6 Ni3 P3 -","- C36 H31 F6 Ni3 P3 -","- C144 H124 F24 Ni12 P12 -","4","1","","Alana L. Keen; Meghan Doster; Samuel A. Johnson","1,4-Shifts in a Dinuclear Ni(I) Biarylyl Complex: A Mechanistic Study of C-H Bond Activation by Monovalent Nickel","Journal of the American Chemical Society","2007","129","","810","819","10.1021/ja067112w","","x-ray","0.71073","MoKα","","0.0537","0.0442","","","0.1275","0.1364","","","","","","1.049","","","","has coordinates,has disorder","178836","2020-10-21","18:00:00",""
"4109035","15.512","0.002","10.083","0.001","16.336","0.002","90","","111.022","0.002","90","","2385","0.5","173.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C21 H41 Cl Ir O P -","- C21 H41 Cl Ir O P -","- C84 H164 Cl4 Ir4 O4 P4 -","4","1","","Mitchell R. Anstey; Cathleen M. Yung; Juana Du; Robert G. Bergman","Unexpected C-C Bond Cleavage and C-C Bond Formation Observed in the Reaction of a Cationic Iridium Complex with Heteroatom-Substituted Cyclopropanes","Journal of the American Chemical Society","2007","129","","776","777","10.1021/ja068312a","","","0.7107","MoKα","","0.0671","0.0368","","0.0466","","0.041","","","","","","1.291","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109036","6.325","0.005","6.363","0.005","11.963","0.009","99.621","0.018","97.89","0.019","93.099","0.017","468.7","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C20 H25 N O4 -","1","1","","Javier Adrio; Juan C. Carretero","Butenolide Synthesis by Molybdenum-Mediated Hetero-Pauson-Khand Reaction of Alkynyl Aldehydes","Journal of the American Chemical Society","2007","129","","778","779","10.1021/ja0684186","","","0.71073","MoKα","","0.1104","0.0992","","","0.2531","0.2676","","","","","","1.223","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109037","5.876","0.004","20.129","0.015","14.512","0.013","90","","100.05","0.03","90","","1690","2","115","","115","","","","","","","","local laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C23.5 H16 O3.5 -","- C23.5 H14 O3.5 -","- C94 H56 O14 -","4","1","","Youjun Yang; Mark Lowry; Corin M. Schowalter; Sayo O. Fakayode; Jorge O. Escobedo; Xiangyang Xu; Huating Zhang; Timothy J. Jensen; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","An Organic White Light-Emitting Fluorophore","Journal of the American Chemical Society","2007","129","","1008","1008","10.1021/ja068506q","","","0.71073","MoKα","","0.198","0.082","","","0.146","0.186","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109038","7.116","0.004","10.145","0.005","17.823","0.009","77.253","0.009","80.996","0.008","73.084","0.008","1194.8","1.1","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H52 O6 -","- C60 H52 O6 -","- C60 H52 O6 -","1","0.5","","Tinh-Alfredo V. Khuong; Hung Dang; Peter D. Jarowski; Emily F. Maverick; Miguel A. Garcia-Garibay","Rotational Dynamics in a Crystalline Molecular Gyroscope by Variable-Temperature 13C NMR,2H NMR, X-Ray Diffraction, and Force Field Calculations","Journal of the American Chemical Society","2007","129","","839","845","10.1021/ja064325c","","","0.71073","MoKα","","0.1684","0.0649","","","0.1335","0.1668","","","","","","0.865","","4109002","","has coordinates,has disorder","215354","2020-10-21","18:00:00",""
"4109039","12.2481","0.0004","13.7603","0.0005","17.304","0.0006","86.556","0.002","76.904","0.002","87.12","0.002","2833.38","0.17","120","2","120","2","","","","","","","","7","P -1","-P 1","2","Compound 2b","","","- C52 H42 B2 F30 N O4 Tl -","- C52 H29 B2 F30 N O4 Tl0.99 -","- C104 H58 B4 F60 N2 O8 Tl1.98 -","2","1","","Yann Sarazin; David L. Hughes; Nikolas Kaltsoyannis; Joseph A. Wright; Manfred Bochmann","Thallium(I) Sandwich, Multidecker, and Ether Complexes Stabilized by Weakly-Coordinating Anions: A Spectroscopic, Structural, and Theoretical Investigation","Journal of the American Chemical Society","2007","129","","881","894","10.1021/ja0657105","","","0.71073","MoKα","","0.0906","0.0557","","","0.132","0.145","","","","","","1.061","","4109017","","has coordinates,has disorder","215354","2020-10-21","18:00:00",""
"4109040","13.781","","18.151","","21.698","","90","","91.68","","90","","5425.18","","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound 4b","","","- C57 H26 B2 F30 N Tl -","- C57 H26 B2 F30 N Tl -","- C228 H104 B8 F120 N4 Tl4 -","4","1","","Yann Sarazin; David L. Hughes; Nikolas Kaltsoyannis; Joseph A. Wright; Manfred Bochmann","Thallium(I) Sandwich, Multidecker, and Ether Complexes Stabilized by Weakly-Coordinating Anions: A Spectroscopic, Structural, and Theoretical Investigation","Journal of the American Chemical Society","2007","129","","881","894","10.1021/ja0657105","","","0.71073","MoKα","","0.071","0.0482","","","0.1003","0.1082","","","","","","1.081","","4109018","","has coordinates","215354","2020-10-21","18:00:00",""
"4109041","9.144","0.0003","17.419","0.0005","14.4173","0.0004","90","","94.435","0.002","90","","2289.5","0.12","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Fe3 N3 O3 S6 -","- C18 H12 Fe3 N3 O3 S6 -","- C72 H48 Fe12 N12 O12 S24 -","4","1","","I-Jui Hsu; Chung-Hung Hsieh; Shyue-Chu Ke; Kuo-An Chiang; Jenn-Min Lee; Jin-Ming Chen; Ling-Yun Jang; Gene-Hsiang Lee; Yu Wang; Wen-Feng Liaw","New Members of a Class of Iron-Thiolate-Nitrosyl Compounds: Trinuclear Iron-Thiolate-Nitrosyl Complexes Containing Fe3S6 Core","Journal of the American Chemical Society","2007","129","","1151","1159","10.1021/ja065401e","","","0.71073","MoKα","","0.047","0.0346","","","0.0963","0.1215","","","","","","1.167","","","","has coordinates,has disorder","178836","2020-10-21","18:00:00",""
"4109042","25.5399","0.0006","10.2124","0.0002","11.2987","0.0003","90","","90","","90","","2946.97","0.12","150","1","150","1","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C20 H20 F6 Fe3 N3 O5 P S6 -","- C20 H20 F6 Fe3 N3 O5 P S6 -","- C80 H80 F24 Fe12 N12 O20 P4 S24 -","4","0.5","","I-Jui Hsu; Chung-Hung Hsieh; Shyue-Chu Ke; Kuo-An Chiang; Jenn-Min Lee; Jin-Ming Chen; Ling-Yun Jang; Gene-Hsiang Lee; Yu Wang; Wen-Feng Liaw","New Members of a Class of Iron-Thiolate-Nitrosyl Compounds: Trinuclear Iron-Thiolate-Nitrosyl Complexes Containing Fe3S6 Core","Journal of the American Chemical Society","2007","129","","1151","1159","10.1021/ja065401e","","","0.71073","MoKα","","0.1179","0.0672","","","0.178","0.2186","","","","","","1.117","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109043","12.3585","0.0008","13.2595","0.0005","16.1042","0.0011","106.938","0.003","103.032","0.003","90.219","0.003","2452.6","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H31 B F20 N3 O3 Re -","- C53 H31 B F20 N3 O3 Re -","- C106 H62 B2 F40 N6 O6 Re2 -","2","1","","Elon A. Ison; Jeanette E. Cessarich; Nicholas E. Travia; Phillip E. Fanwick; Mahdi M. Abu-Omar","Synthesis of Cationic Rhenium(VII) Oxo Imido Complexes and Their Tunability Towards Oxygen Atom Transfer","Journal of the American Chemical Society","2007","129","","1167","1178","10.1021/ja065551p","","","0.71073","MO-Kα","","0.077","0.045","","","0.091","0.105","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109044","18.1716","0.0003","19.4058","0.0003","22.118","0.0003","72.3473","0.0011","76.3375","0.0008","65.7914","0.0007","6722.32","0.18","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C69.43 H44.87 B Cl2.87 F20 N3 O2 P Re -","- C69.434 H44.868 B Cl2.868 F20 N3 O2 P Re -","- C277.736 H179.472 B4 Cl11.472 F80 N12 O8 P4 Re4 -","4","2","","Elon A. Ison; Jeanette E. Cessarich; Nicholas E. Travia; Phillip E. Fanwick; Mahdi M. Abu-Omar","Synthesis of Cationic Rhenium(VII) Oxo Imido Complexes and Their Tunability Towards Oxygen Atom Transfer","Journal of the American Chemical Society","2007","129","","1167","1178","10.1021/ja065551p","","","0.71073","MO-Kα","","0.107","0.053","","","0.124","0.143","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109045","20.3441","0.0009","20.3441","0.0009","20.3441","0.0009","90","","90","","90","","8420.1","0.6","123","2","123","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C78 H230 Cu17 Mn28 N12 O128 -","- C78 H229.92 Cu17 Mn28 N12 O128 -","- C156 H459.84 Cu34 Mn56 N24 O256 -","2","0.0416667","","Wen-Guo Wang; Ai-Ju Zhou; Wei-Xiong Zhang; Ming-Liang Tong; Xiao-Ming Chen; Motohiro Nakano; Christopher C. Beedle; David N. Hendrickson","Giant Heterometallic Cu17Mn28 Cluster with Td Symmetry and High-Spin Ground State","Journal of the American Chemical Society","2007","129","","1014","1015","10.1021/ja065707l","","","0.71073","MoKα","","0.0481","0.0456","","","0.1178","0.1195","","","","","","1.087","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109046","23.504","0.003","23.504","0.003","7.7038","0.0014","90","","90","","120","","3685.7","0.9","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","Cesium hexakis(2,6-dimethylphenylisocyanido)-niobium","","","- C54 H54 Cs N6 Nb -","- C54 H54 Cs N6 Nb -","- C162 H162 Cs3 N18 Nb3 -","3","0.166667","","Mikhail V. Barybin; William W. Brennessel; Benjamin E. Kucera; Mikhail E. Minyaev; Victor J. Sussman; Victor G. Young; John E. Ellis","Homoleptic Isocyanidemetalates of 4d- and 5d-Transition Metals: [Nb(CNXyl)6]-, [Ta(CNXyl)6]-, and Derivatives Thereof1","Journal of the American Chemical Society","2007","129","","1141","1150","10.1021/ja065964q","","","0.71073","MoKα","","0.0524","0.0314","","","0.0776","0.0847","","","","","","1.004","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109047","11.4367","0.0003","22.3813","0.0005","22.7631","0.0006","90","","91.538","0.001","90","","5824.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Heptakis(2,6-dimethylphenylisocyanido)-tantalum tetrafluoroborate","","","- C63 H63 B F4 N7 Ta -","- C63 H63 B F4 N7 Ta -","- C252 H252 B4 F16 N28 Ta4 -","4","1","","Mikhail V. Barybin; William W. Brennessel; Benjamin E. Kucera; Mikhail E. Minyaev; Victor J. Sussman; Victor G. Young; John E. Ellis","Homoleptic Isocyanidemetalates of 4d- and 5d-Transition Metals: [Nb(CNXyl)6]-, [Ta(CNXyl)6]-, and Derivatives Thereof1","Journal of the American Chemical Society","2007","129","","1141","1150","10.1021/ja065964q","","","0.71073","MoKα","","0.0792","0.0461","","","0.0702","0.0793","","","","","","1.01","","","","has coordinates,has disorder","178836","2020-10-21","18:00:00",""
"4109048","23.49","0.016","23.49","0.016","7.772","0.005","90","0.012","90","0.012","120","0.01","3714","4","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","Cesium hexakis(2,6-dimethylphenylisocyanido)-tantalum","","","- C54 H54 Cs N6 Ta -","- C54 H54 Cs N6 Ta -","- C162 H162 Cs3 N18 Ta3 -","3","0.166667","","Mikhail V. Barybin; William W. Brennessel; Benjamin E. Kucera; Mikhail E. Minyaev; Victor J. Sussman; Victor G. Young; John E. Ellis","Homoleptic Isocyanidemetalates of 4d- and 5d-Transition Metals: [Nb(CNXyl)6]-, [Ta(CNXyl)6]-, and Derivatives Thereof1","Journal of the American Chemical Society","2007","129","","1141","1150","10.1021/ja065964q","","","0.71073","MoKα","","0.0355","0.0282","","","0.0606","0.0631","","","","","","1.077","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109049","11.5129","0.0006","40.725","0.002","11.7507","0.0006","90","","118.769","0.001","90","","4829.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Iodo-hexakis(2.6-dimethylphenylisocyanido)-tantalum","","","- C54 H54 I N6 Ta -","- C54 H54 I N6 Ta -","- C216 H216 I4 N24 Ta4 -","4","1","","Mikhail V. Barybin; William W. Brennessel; Benjamin E. Kucera; Mikhail E. Minyaev; Victor J. Sussman; Victor G. Young; John E. Ellis","Homoleptic Isocyanidemetalates of 4d- and 5d-Transition Metals: [Nb(CNXyl)6]-, [Ta(CNXyl)6]-, and Derivatives Thereof1","Journal of the American Chemical Society","2007","129","","1141","1150","10.1021/ja065964q","","","0.71073","MoKα","","0.0378","0.033","","","0.069","0.0707","","","","","","1.017","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109050","9.593","0.0012","13.911","0.0017","20.342","0.002","102.126","0.002","90.323","0.002","105.605","0.002","2550.6","0.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","(BBV)3(HPTS)2.2CH3OH.2H2O","","","- C108 H102 B6 N6 O36 S6 -","- C108 H102 B6 N6 O36 S6 -","- C108 H102 B6 N6 O36 S6 -","1","0.5","","Soya Gamsey; Aaron Miller; Marilyn M. Olmstead; Christine M. Beavers; Lacie C. Hirayama; Sulolit Pradhan; Ritchie A. Wessling; Bakthan Singaram","Boronic Acid-Based Bipyridinium Salts as Tunable Receptors for Monosaccharides and α-Hydroxycarboxylates","Journal of the American Chemical Society","2007","129","","1278","1286","10.1021/ja066567i","","","0.71073","MoKα","","0.1565","0.0629","","","0.1394","0.181","","","","","","0.981","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109051","12.4366","0.0017","25.409","0.003","12.862","0.003","90","","113.313","0.012","90","","3732.6","1.2","180","","180","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C64 H70 Cl4 N12 O19 Pd2 Ru2 -","- C64 H48 Cl4 N12 O19 Pd2 Ru2 -","- C128 H96 Cl8 N24 O38 Pd4 Ru4 -","2","1","","Fabrice Pointillart; Cyrille Train; Françoise Villain; Patrick Gredin; Lise-Marie Chamoreau; Michel Gruselle; Gabriel Aullon; Santiago Alvarez; Michel Verdaguer","Six-fold Oxygen-Coordinated Triplet (S= 1) Palladium(II) Moieties Templated by Tris(bipyridine)ruthenium(II) Ions","Journal of the American Chemical Society","2007","129","","1327","1334","10.1021/ja066817v","","","0.71073","MoKα","","0.0781","0.0578","","0.0801","0.0645","0.0645","","","","","","1.077","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109052","16.302","0.003","16.465","0.003","16.551","0.002","101.751","0.011","111.493","0.009","113.567","0.011","3454.8","1.2","250","2","250","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H25 Cl6 N6 O0.5 Pd2 Ru -","- C30 H25 Cl6 N6 O0.5 Pd2 Ru -","- C120 H100 Cl24 N24 O2 Pd8 Ru4 -","4","2","","Fabrice Pointillart; Cyrille Train; Françoise Villain; Patrick Gredin; Lise-Marie Chamoreau; Michel Gruselle; Gabriel Aullon; Santiago Alvarez; Michel Verdaguer","Six-fold Oxygen-Coordinated Triplet (S= 1) Palladium(II) Moieties Templated by Tris(bipyridine)ruthenium(II) Ions","Journal of the American Chemical Society","2007","129","","1327","1334","10.1021/ja066817v","","","0.71073","MoKα","","0.1326","0.0432","","","0.0712","0.0895","","","","","","0.949","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109053","15.473","0.004","12.45","0.003","26.373","0.007","90","","100.704","0.004","90","","4992","2","174","2","174","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 F4 N2 O4 P2 Pd2 -","- C48 H72 F4 N2 O4 P2 Pd2 -","- C192 H288 F16 N8 O16 P8 Pd8 -","4","1","","Dmitry V. Yandulov; Ngon T. Tran","Aryl-Fluoride Reductive Elimination from Pd(II): Feasibility Assessment from Theory and Experiment","Journal of the American Chemical Society","2007","129","","1342","1358","10.1021/ja066930l","","","0.71073","MoKα","","0.0857","0.045","","","0.0901","0.1028","","","","","","1.018","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109054","10.035","0.0002","6.3816","0.0001","13.8107","0.0003","90","","108.672","0.001","90","","837.88","0.03","200","2","200","2","","","","","","","chemical synthesis","3","P 1 21 1","P 2yb","4","","(E)-5-Benzoyloxymethylenecyclohex-3-ene-1,1-dicarboxylic Acid Dimethyl Ester","","- C18 H18 O6 -","- C18 H18 O6 -","- C36 H36 O12 -","2","1","","Hahn Kim; Stephen D. Goble; Chulbom Lee","Ruthenium-Catalyzed Carboxylative Cyclization of 1,6-Diynes","Journal of the American Chemical Society","2007","129","","1030","1031","10.1021/ja067336e","","","0.71073","MoKα","","0.0546","0.0439","","0.1092","","0.0983","","","1.09","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109055","18.309","0.004","10.249","0.002","28.639","0.005","90","","90","","90","","5374.1","1.8","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H42 O3 -","- C32 H42 O3 -","- C256 H336 O24 -","8","1","","Aaron B. Beeler; Shun Su; Chris A. Singleton; John A. Porco","Discovery of Chemical Reactions through Multidimensional Screening","Journal of the American Chemical Society","2007","129","","1413","1419","10.1021/ja0674744","","","0.71073","MoKα","","0.0811","0.0466","","","0.1079","0.1317","","","","","","1.059","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109056","7.1639","0.0014","11.318","0.002","14.06","0.003","106.268","0.01","90.217","0.011","104.607","0.011","1055.6","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H28 O6 -","- C23 H28 O6 -","- C46 H56 O12 -","2","1","","Aaron B. Beeler; Shun Su; Chris A. Singleton; John A. Porco","Discovery of Chemical Reactions through Multidimensional Screening","Journal of the American Chemical Society","2007","129","","1413","1419","10.1021/ja0674744","","","0.71073","MoKα","","0.0575","0.0469","","","0.139","0.1485","","","","","","1.033","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109057","11.094","0.006","11.378","0.006","25.409","0.013","81.701","0.008","79.045","0.008","82.545","0.008","3099","3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H33 Br I N O5 Si -","- C31 H33 Br I N O5 Si -","- C124 H132 Br4 I4 N4 O20 Si4 -","4","2","","Annaliese K. Franz; Philip D. Dreyfuss; Stuart L. Schreiber","Synthesis and Cellular Profiling of Diverse Organosilicon Small Molecules","Journal of the American Chemical Society","2007","129","","1020","1021","10.1021/ja067552n","","","0.71073","MoKα","","0.141","0.0736","","","0.1439","0.1655","","","","","","0.955","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109058","11.9583","0.0003","18.065","0.0003","21.9228","0.0005","90","","90","","90","","4735.91","0.18","143.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 Br N O4 -","- C22 H28 Br N O4 -","- C176 H224 Br8 N8 O32 -","8","2","","Xisheng Wang; Masanori Kitamura; Keiji Maruoka","New, Chiral Phase Transfer Catalysts for Effecting Asymmetric Conjugate Additions of α-Alkyl-α-cyanoacetates to Acetylenic Esters","Journal of the American Chemical Society","2007","129","","1038","1039","10.1021/ja068119g","","","1.54187","CuKα","","","0.0669","","","","0.1804","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109059","5.8517","0.0003","18.9534","0.0006","20.9196","0.0006","90","","90","","90","","2320.18","0.15","143.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 Br N O4 -","- C22 H28 Br N O4 -","- C88 H112 Br4 N4 O16 -","4","1","","Xisheng Wang; Masanori Kitamura; Keiji Maruoka","New, Chiral Phase Transfer Catalysts for Effecting Asymmetric Conjugate Additions of α-Alkyl-α-cyanoacetates to Acetylenic Esters","Journal of the American Chemical Society","2007","129","","1038","1039","10.1021/ja068119g","","","1.54187","CuKα","","","0.061","","","","0.1652","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109060","6.32501","0.00011","15.6014","0.0003","22.1928","0.0004","90","","90","","90","","2189.96","0.07","133.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H33 N O4 Si -","- C19 H33 N O4 Si -","- C76 H132 N4 O16 Si4 -","4","1","","Xisheng Wang; Masanori Kitamura; Keiji Maruoka","New, Chiral Phase Transfer Catalysts for Effecting Asymmetric Conjugate Additions of α-Alkyl-α-cyanoacetates to Acetylenic Esters","Journal of the American Chemical Society","2007","129","","1038","1039","10.1021/ja068119g","","","1.54187","CuKα","","","0.0494","","","","0.1438","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109061","13.1047","0.0005","13.3397","0.0005","26.0901","0.0009","90","","90.013","0.001","90","","4560.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H73 N6 O12 Tb -","- C38 H73 N6 O12 Tb -","- C152 H292 N24 O48 Tb4 -","4","1","","Morgan L. Cable; James P. Kirby; Karn Sorasaenee; Harry B. Gray; Adrian Ponce","Bacterial Spore Detection by [Tb3+(macrocycle)(dipicolinate)] Luminescence","Journal of the American Chemical Society","2007","129","","1474","1475","10.1021/ja061831t","","","0.71073","MoKα","","0.09","0.0384","","","0.0639","0.0717","","","","","","1.077","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4109062","9.7866","0.0012","9.9982","0.0012","15.081","0.0018","78.616","0.002","79.77","0.002","71.566","0.002","1361.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H39 N3 O2 Ti -","- C29 H39 N3 O2 Ti -","- C58 H78 N6 O4 Ti2 -","2","1","","Denis A. Kissounko; Justin M. Hoerter; Ilia A. Guzei; Qiang Cui; Samuel H. Gellman; Shannon S. Stahl","TiIV-Mediated Reactions between Primary Amines and Secondary Carboxamides: Amidine Formation Versus Transamidation","Journal of the American Chemical Society","2007","129","","1776","1783","10.1021/ja0650293","","","0.71073","MoKα","","0.046","0.0413","","","0.113","0.1187","","","","","","1.058","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109063","10.0119","0.0013","10.7531","0.0014","19.057","0.002","78.537","0.002","84.422","0.002","74.298","0.002","1933.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H50 Cl4 N2 O4 Ti2 -","- C38 H50 Cl4 N2 O4 Ti2.051 -","- C76 H100 Cl8 N4 O8 Ti4.102 -","2","1","","Denis A. Kissounko; Justin M. Hoerter; Ilia A. Guzei; Qiang Cui; Samuel H. Gellman; Shannon S. Stahl","TiIV-Mediated Reactions between Primary Amines and Secondary Carboxamides: Amidine Formation Versus Transamidation","Journal of the American Chemical Society","2007","129","","1776","1783","10.1021/ja0650293","","","0.71073","MoKα","","0.121","0.1078","","","0.3241","0.3603","","","","","","1.017","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109064","16.214","0.005","8.651","0.003","21.519","0.007","90","","107.234","0.005","90","","2882.9","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 N3 O3 Ti -","- C34 H39 N3 O3 Ti -","- C136 H156 N12 O12 Ti4 -","4","1","","Denis A. Kissounko; Justin M. Hoerter; Ilia A. Guzei; Qiang Cui; Samuel H. Gellman; Shannon S. Stahl","TiIV-Mediated Reactions between Primary Amines and Secondary Carboxamides: Amidine Formation Versus Transamidation","Journal of the American Chemical Society","2007","129","","1776","1783","10.1021/ja0650293","","","0.71073","MoKα","","0.1311","0.0772","","","0.173","0.1854","","","","","","1.001","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109065","11.123","0.005","12.226","0.005","16.556","0.009","90","","90","","90","","2251.4","1.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 N2 O2 S -","- C27 H24 N2 O2 S -","- C108 H96 N8 O8 S4 -","4","1","","Jorge Esquivias; Ramón Gómez Arrayás; Juan C. Carretero","Catalytic Asymmetric Inverse-Electron-Demand Diels-Alder Reaction of N-Sulfonyl-1-Aza-1,3-Dienes","Journal of the American Chemical Society","2007","129","","1480","1481","10.1021/ja0658766","","","0.71073","MoKα","","0.1311","0.0762","","","0.1738","0.2115","","","","","","1.022","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109066","9.4345","0.0002","11.1796","0.0003","21.8461","0.0006","90","","90","","90","","2304.19","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 F3 N2 O3 S -","- C25 H23 F3 N2 O3 S -","- C100 H92 F12 N8 O12 S4 -","4","1","","Jorge Esquivias; Ramón Gómez Arrayás; Juan C. Carretero","Catalytic Asymmetric Inverse-Electron-Demand Diels-Alder Reaction of N-Sulfonyl-1-Aza-1,3-Dienes","Journal of the American Chemical Society","2007","129","","1480","1481","10.1021/ja0658766","","","1.54178","CuKα","","0.0305","0.0296","","","0.0763","0.0771","","","","","","1.037","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109067","20.342","0.0001","24.448","0.0002","35.36","0.0003","90","","90.13","","90","","17585.2","0.2","150","2","150","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","Cy-[H12]+","","","- C178.5 H265.5 B F24 P6 Rh6 -","- C178.5 H265.5 B F24 P6 Rh6 -","- C714 H1062 B4 F96 P24 Rh24 -","4","1","","Simon K. Brayshaw; Andrew Harrison; J. Scott McIndoe; Frank Marken; Paul R. Raithby; John E. Warren; Andrew S. Weller","Sequential Reduction of High Hydride Count Octahedral Rhodium Clusters [Rh6(PR3)6H12][BArF4]2: Redox-Switchable Hydrogen Storage","Journal of the American Chemical Society","2007","129","","1793","1804","10.1021/ja066940m","","","0.71073","MoKα","","0.1","0.0408","","","0.0874","0.1065","","","","","","1.019","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109068","13.4673","0.0005","13.4673","0.0005","33.922","0.002","90","","90","","120","","5328.1","0.4","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","iPr-[H12]","","","- C54 H138 P6 Rh6 -","- C54 H138 P6 Rh6 -","- C162 H414 P18 Rh18 -","3","0.166667","","Simon K. Brayshaw; Andrew Harrison; J. Scott McIndoe; Frank Marken; Paul R. Raithby; John E. Warren; Andrew S. Weller","Sequential Reduction of High Hydride Count Octahedral Rhodium Clusters [Rh6(PR3)6H12][BArF4]2: Redox-Switchable Hydrogen Storage","Journal of the American Chemical Society","2007","129","","1793","1804","10.1021/ja066940m","","","0.846","Synchrotron","","0.0185","0.0179","","","0.0454","0.0459","","","","","","1.052","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109069","12.7316","0.0014","14.217","0.0016","14.8102","0.0016","90","","111.394","0.002","90","","2496","0.5","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H48 Cl4 Cu2 N8 O6 -","- C50 H48 Cl4 Cu2 N8 O6 -","- C100 H96 Cl8 Cu4 N16 O12 -","2","0.5","","Yu-Bin Dong; Qiang Zhang; Li-Li Liu; Jian-Ping Ma; Bo Tang; Ru-Qi Huang","[Cu(C24H22N4O3)].CH2Cl2: A Discrete Breathing Metallamacrocycle Showing Selective and Reversible Guest Adsorption with Retention of Single Crystallinity","Journal of the American Chemical Society","2007","129","","1514","1515","10.1021/ja067384z","","","0.71073","MoKα","","0.0738","0.0676","","","0.1969","0.2025","","","","","","1.086","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109070","12.7084","0.0014","14.2054","0.0015","14.8522","0.0016","90","","111.427","0.001","90","","2495.9","0.5","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H48 Cl4 Cu2 N8 O6 -","- C50 H48 Cl4 Cu2 N8 O6 -","- C100 H96 Cl8 Cu4 N16 O12 -","2","0.5","","Yu-Bin Dong; Qiang Zhang; Li-Li Liu; Jian-Ping Ma; Bo Tang; Ru-Qi Huang","[Cu(C24H22N4O3)].CH2Cl2: A Discrete Breathing Metallamacrocycle Showing Selective and Reversible Guest Adsorption with Retention of Single Crystallinity","Journal of the American Chemical Society","2007","129","","1514","1515","10.1021/ja067384z","","","0.71073","MoKα","","0.0621","0.0551","","","0.1553","0.1611","","","","","","1.061","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109071","12.884","0.004","14.424","0.004","14.906","0.004","90","","112.325","0.004","90","","2562.5","1.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H48 Cl4 Cu2 N8 O6 -","- C50 H48 Cl4 Cu2 N8 O6 -","- C100 H96 Cl8 Cu4 N16 O12 -","2","0.5","","Yu-Bin Dong; Qiang Zhang; Li-Li Liu; Jian-Ping Ma; Bo Tang; Ru-Qi Huang","[Cu(C24H22N4O3)].CH2Cl2: A Discrete Breathing Metallamacrocycle Showing Selective and Reversible Guest Adsorption with Retention of Single Crystallinity","Journal of the American Chemical Society","2007","129","","1514","1515","10.1021/ja067384z","","","0.71073","MoKα","","0.1272","0.0946","","","0.2216","0.2347","","","","","","1.13","","","","has coordinates,has disorder","178836","2020-10-21","18:00:00",""
"4109072","12.8528","0.0015","14.0181","0.0016","14.4074","0.0017","90","","110.802","0.002","90","","2426.6","0.5","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H44 Cl2 Cu2 N8 O6 -","- C49 H44 Cl2 Cu2 N8 O6 -","- C98 H88 Cl4 Cu4 N16 O12 -","2","0.5","","Yu-Bin Dong; Qiang Zhang; Li-Li Liu; Jian-Ping Ma; Bo Tang; Ru-Qi Huang","[Cu(C24H22N4O3)].CH2Cl2: A Discrete Breathing Metallamacrocycle Showing Selective and Reversible Guest Adsorption with Retention of Single Crystallinity","Journal of the American Chemical Society","2007","129","","1514","1515","10.1021/ja067384z","","","0.71073","MoKα","","0.0554","0.0464","","","0.1181","0.1247","","","","","","1.034","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109073","12.8545","0.0018","14.052","0.002","14.44","0.002","90","","110.881","0.002","90","","2437","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H44 Cl2 Cu2 N8 O6 -","- C49 H44 Cl2 Cu2 N8 O6 -","- C98 H88 Cl4 Cu4 N16 O12 -","2","0.5","","Yu-Bin Dong; Qiang Zhang; Li-Li Liu; Jian-Ping Ma; Bo Tang; Ru-Qi Huang","[Cu(C24H22N4O3)].CH2Cl2: A Discrete Breathing Metallamacrocycle Showing Selective and Reversible Guest Adsorption with Retention of Single Crystallinity","Journal of the American Chemical Society","2007","129","","1514","1515","10.1021/ja067384z","","","0.71073","MoKα","","0.0694","0.0545","","","0.1474","0.1594","","","","","","1.032","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109074","12.89","0.002","14.216","0.003","14.559","0.003","90","","111.24","0.002","90","","2486.6","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H44 Cl2 Cu2 N8 O6 -","- C49 H44 Cl2 Cu2 N8 O6 -","- C98 H88 Cl4 Cu4 N16 O12 -","2","0.5","","Yu-Bin Dong; Qiang Zhang; Li-Li Liu; Jian-Ping Ma; Bo Tang; Ru-Qi Huang","[Cu(C24H22N4O3)].CH2Cl2: A Discrete Breathing Metallamacrocycle Showing Selective and Reversible Guest Adsorption with Retention of Single Crystallinity","Journal of the American Chemical Society","2007","129","","1514","1515","10.1021/ja067384z","","","0.71073","MoKα","","0.0879","0.0658","","","0.1881","0.2","","","","","","1.049","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109075","12.932","0.01","14.202","0.011","14.499","0.011","90","","111.348","0.011","90","","2480","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H44 Cl2 Cu2 N8 O6 -","- C49 H44 Cl2 Cu2 N8 O6 -","- C98 H88 Cl4 Cu4 N16 O12 -","2","0.5","","Yu-Bin Dong; Qiang Zhang; Li-Li Liu; Jian-Ping Ma; Bo Tang; Ru-Qi Huang","[Cu(C24H22N4O3)].CH2Cl2: A Discrete Breathing Metallamacrocycle Showing Selective and Reversible Guest Adsorption with Retention of Single Crystallinity","Journal of the American Chemical Society","2007","129","","1514","1515","10.1021/ja067384z","","","0.71073","MoKα","","0.0915","0.064","","","0.1651","0.184","","","","","","1.03","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109076","13.045","0.002","14.52","0.002","14.917","0.002","90","","112.884","0.002","90","","2603.1","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 Cl6 Cu2 N8 O6 -","- C50 H46 Cl6 Cu2 N8 O6 -","- C100 H92 Cl12 Cu4 N16 O12 -","2","0.5","","Yu-Bin Dong; Qiang Zhang; Li-Li Liu; Jian-Ping Ma; Bo Tang; Ru-Qi Huang","[Cu(C24H22N4O3)].CH2Cl2: A Discrete Breathing Metallamacrocycle Showing Selective and Reversible Guest Adsorption with Retention of Single Crystallinity","Journal of the American Chemical Society","2007","129","","1514","1515","10.1021/ja067384z","","","0.71073","MoKα","","0.1076","0.0704","","","0.1911","0.2126","","","","","","0.977","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109077","13.002","0.005","14.452","0.005","14.878","0.006","90","","112.47","0.005","90","","2583.4","1.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 Cl6 Cu2 N8 O6 -","- C50 H46 Cl6 Cu2 N8 O6 -","- C100 H92 Cl12 Cu4 N16 O12 -","2","0.5","","Yu-Bin Dong; Qiang Zhang; Li-Li Liu; Jian-Ping Ma; Bo Tang; Ru-Qi Huang","[Cu(C24H22N4O3)].CH2Cl2: A Discrete Breathing Metallamacrocycle Showing Selective and Reversible Guest Adsorption with Retention of Single Crystallinity","Journal of the American Chemical Society","2007","129","","1514","1515","10.1021/ja067384z","","","0.71073","MoKα","","0.1587","0.1317","","","0.344","0.3547","","","","","","1.151","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109078","13.0155","0.0018","14.487","0.002","14.856","0.002","90","","112.644","0.002","90","","2585.3","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 Cl6 Cu2 N8 O6 -","- C50 H46 Cl6 Cu2 N8 O6 -","- C100 H92 Cl12 Cu4 N16 O12 -","2","0.5","","Yu-Bin Dong; Qiang Zhang; Li-Li Liu; Jian-Ping Ma; Bo Tang; Ru-Qi Huang","[Cu(C24H22N4O3)].CH2Cl2: A Discrete Breathing Metallamacrocycle Showing Selective and Reversible Guest Adsorption with Retention of Single Crystallinity","Journal of the American Chemical Society","2007","129","","1514","1515","10.1021/ja067384z","","","0.71073","MoKα","","0.1084","0.091","","","0.2859","0.3182","","","","","","1.079","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109079","12.955","0.005","14.405","0.005","14.804","0.006","90","","112.447","0.005","90","","2553.4","1.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 Cl6 Cu2 N8 O6 -","- C50 H46 Cl6 Cu2 N8 O6 -","- C100 H92 Cl12 Cu4 N16 O12 -","2","0.5","","Yu-Bin Dong; Qiang Zhang; Li-Li Liu; Jian-Ping Ma; Bo Tang; Ru-Qi Huang","[Cu(C24H22N4O3)].CH2Cl2: A Discrete Breathing Metallamacrocycle Showing Selective and Reversible Guest Adsorption with Retention of Single Crystallinity","Journal of the American Chemical Society","2007","129","","1514","1515","10.1021/ja067384z","","","0.71073","MoKα","","0.1681","0.1334","","","0.3518","0.3645","","","","","","1.132","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109080","8.7737","0.0005","8.8872","0.0005","20.9878","0.0011","90","","90","","90","","1636.49","0.16","193","","193","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","[9]metacyclophane","","- C18 H24 O5 -","- C18 H24 O5 -","- C72 H96 O20 -","4","1","","Ken Tanaka; Hiromi Sagae; Kazuki Toyoda; Keiichi Noguchi; Masao Hirano","Enantioselective Synthesis of Planar-Chiral Metacyclophanes through Rhodium-Catalyzed Alkyne Cyclotrimerization","Journal of the American Chemical Society","2007","129","","1522","1523","10.1021/ja0679127","","","1.54187","CuKα","","0.0358","0.0322","","","0.0806","0.0839","","","","","","1.105","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109081","36.257","0.007","8.2518","0.0017","21.011","0.004","90","","117.31","0.03","90","","5586","2","158","2","158","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H38 O7 -","- C29 H38 O7 -","- C232 H304 O56 -","8","2","","K. C. Nicolaou; Andrea L. Nold; Robert R. Milburn; Corinna S. Schindler; Kevin P. Cole; Junichiro Yamaguchi","Total Synthesis of Marinomycins A-C and of Their Monomeric Counterparts Monomarinomycin A and iso-Monomarinomycin A","Journal of the American Chemical Society","2007","129","","1760","1768","10.1021/ja068053p","","","0.71073","MoKα","","0.1132","0.0669","","","0.1263","0.1584","","","","","","1.039","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109082","10.419","0.005","7.186","0.003","12.309","0.006","90","","91.26","0.02","90","","921.4","0.7","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H12 Br4 O2 -","- C20 H12 Br4 O2 -","- C40 H24 Br8 O4 -","2","1","","Takahiro Nishimura; Takahiro Kawamoto; Keigo Sasaki; Eiji Tsurumaki; Tamio Hayashi","Rhodium-Catalyzed Asymmetric Cyclodimerization of Oxa- and Azabicyclic Alkenes","Journal of the American Chemical Society","2007","129","","1492","1493","10.1021/ja068488c","","","0.71075","MoKα","","","0.0471","","","","0.0611","","","","","","1.341","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109083","12.21","0.01","4.332","0.003","16.228","0.012","90","","100.52","0.03","90","","843.9","1.1","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 Br2 O5 -","- C18 H16 Br2 O5 -","- C36 H32 Br4 O10 -","2","1","","Takahiro Nishimura; Takahiro Kawamoto; Keigo Sasaki; Eiji Tsurumaki; Tamio Hayashi","Rhodium-Catalyzed Asymmetric Cyclodimerization of Oxa- and Azabicyclic Alkenes","Journal of the American Chemical Society","2007","129","","1492","1493","10.1021/ja068488c","","","0.71075","MoKα","","","0.0664","","","","0.0877","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109084","11.572","0.002","12.151","0.002","19.709","0.004","90","","90","","90","","2771.3","0.9","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H53 Al Li N O -","- C25 H53 Al Li N O -","- C100 H212 Al4 Li4 N4 O4 -","4","1","","Hiroshi Naka; Masanobu Uchiyama; Yotaro Matsumoto; Andrew E. H. Wheatley; Mary McPartlin; James V. Morey; Yoshinori Kondo","An Aluminum Ate Base: Its Design, Structure, Function, and Reaction Mechanism","Journal of the American Chemical Society","2007","129","","1921","1930","10.1021/ja064601n","","","0.71073","MoKα","","0.0731","0.0494","","","0.1092","0.1208","","","","","","1.032","","","","has coordinates,has disorder","178836","2020-10-21","18:00:00",""
"4109085","38.469","0.008","9.4325","0.0019","16.561","0.003","90","","114.18","0.03","90","","5482","2","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C25 H46 Al Li N2 O -","- C25 H46 Al Li N2 O -","- C200 H368 Al8 Li8 N16 O8 -","8","2","","Hiroshi Naka; Masanobu Uchiyama; Yotaro Matsumoto; Andrew E. H. Wheatley; Mary McPartlin; James V. Morey; Yoshinori Kondo","An Aluminum Ate Base: Its Design, Structure, Function, and Reaction Mechanism","Journal of the American Chemical Society","2007","129","","1921","1930","10.1021/ja064601n","","","0.71073","MoKα","","0.0639","0.0467","","","0.095","0.1038","","","","","","1.08","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109086","7.912","0.004","15.001","0.008","36.97","0.02","90","","90","","90","","4388","4","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H27 Al Li N -","- C12 H27 Al Li N -","- C144 H324 Al12 Li12 N12 -","12","3","","Hiroshi Naka; Masanobu Uchiyama; Yotaro Matsumoto; Andrew E. H. Wheatley; Mary McPartlin; James V. Morey; Yoshinori Kondo","An Aluminum Ate Base: Its Design, Structure, Function, and Reaction Mechanism","Journal of the American Chemical Society","2007","129","","1921","1930","10.1021/ja064601n","","","0.71073","MoKα","","0.0806","0.0765","","","0.1985","0.2052","","","","","","1.038","","","","has coordinates,has disorder","178836","2020-10-21","18:00:00",""
"4109087","8.9858","0.0018","22.608","0.005","9.4897","0.0019","90","","102.64","0.03","90","","1881.1","0.7","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H35 Al Li N O -","- C16 H35 Al Li N O -","- C64 H140 Al4 Li4 N4 O4 -","4","1","","Hiroshi Naka; Masanobu Uchiyama; Yotaro Matsumoto; Andrew E. H. Wheatley; Mary McPartlin; James V. Morey; Yoshinori Kondo","An Aluminum Ate Base: Its Design, Structure, Function, and Reaction Mechanism","Journal of the American Chemical Society","2007","129","","1921","1930","10.1021/ja064601n","","","0.71073","MoKα","","0.0998","0.0603","","","0.2042","0.247","","","","","","0.906","","","","has coordinates,has disorder","178836","2020-10-21","18:00:00",""
"4109088","12.853","0.004","12.853","0.004","23.193","0.014","90","","90","","90","","3831","3","193","2","193","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C72 H84 Co8 F6 K N12 O2 P -","- C72 H84 Co8 F6 K N12 O2 P -","- C144 H168 Co16 F12 K2 N24 O4 P2 -","2","0.25","","Julie L. Boyer; Maya Ramesh; Haijun Yao; Thomas B. Rauchfuss; Scott R. Wilson","Redox-Switched Complexation/Decomplexation of K+ and Cs+ by Molecular Cyanometalate Boxes","Journal of the American Chemical Society","2007","129","","1931","1936","10.1021/ja0646545","","","0.71073","MoKα","","0.0469","0.0332","","","0.0618","0.0656","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109089","10.7603","0.0003","16.7937","0.0004","20.2847","0.0005","90","","90","","90","","3665.55","0.16","183.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H56 Al Cl N2 O2 -","- C37 H47 Al Cl N2 O2 -","- C148 H188 Al4 Cl4 N8 O8 -","4","1","","Bunnai Saito; Hiromichi Egami; Tsutomu Katsuki","Synthesis of an Optically Active Al(salalen) Complex and Its Application to Catalytic Hydrophosphonylation of Aldehydes and Aldimines","Journal of the American Chemical Society","2007","129","","1978","1986","10.1021/ja0651005","","","0.71069","MoKα","","","0.0672","","","","0.1756","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109090","9.7268","0.0017","16.328","0.003","24.538","0.005","90","","101.171","0.003","90","","3823.3","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 N2 O P2 Ru -","- C46 H46 N2 O P2 Ru -","- C184 H184 N8 O4 P8 Ru4 -","4","1","","Suzanne Burling; Belinda M. Paine; Devendrababu Nama; Victoria S. Brown; Mary F. Mahon; Timothy J. Prior; Paul S. Pregosin; Michael K. Whittlesey; Jonathan M. J. Williams","CH Activation Reactions of Ruthenium N-Heterocyclic Carbene Complexes: Application in a Catalytic Tandem Reaction Involving CC Bond Formation from Alcohols","Journal of the American Chemical Society","2007","129","","1987","1995","10.1021/ja065790c","","","0.846","Synchrotron","","0.093","0.0684","","","0.1638","0.1826","","","","","","1.068","","","","has coordinates,has disorder","178836","2020-10-21","18:00:00",""
"4109091","9.516","0.0001","33.344","0.0003","13.457","0.0001","90","","110.251","0.001","90","","4005.98","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 N2 O P2 Ru -","- C46 H48 N2 O P2 Ru -","- C184 H192 N8 O4 P8 Ru4 -","4","1","","Suzanne Burling; Belinda M. Paine; Devendrababu Nama; Victoria S. Brown; Mary F. Mahon; Timothy J. Prior; Paul S. Pregosin; Michael K. Whittlesey; Jonathan M. J. Williams","CH Activation Reactions of Ruthenium N-Heterocyclic Carbene Complexes: Application in a Catalytic Tandem Reaction Involving CC Bond Formation from Alcohols","Journal of the American Chemical Society","2007","129","","1987","1995","10.1021/ja065790c","","","0.71073","MoKα","","0.0398","0.0316","","","0.0683","0.0709","","","","","","1.072","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109092","24.208","0.0003","9.081","0.0001","19.636","0.0003","90","","114.159","0.001","90","","3938.56","0.09","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H46 N2 O P2 Ru -","- C46 H47 N2 O P2 Ru -","- C184 H188 N8 O4 P8 Ru4 -","4","1","","Suzanne Burling; Belinda M. Paine; Devendrababu Nama; Victoria S. Brown; Mary F. Mahon; Timothy J. Prior; Paul S. Pregosin; Michael K. Whittlesey; Jonathan M. J. Williams","CH Activation Reactions of Ruthenium N-Heterocyclic Carbene Complexes: Application in a Catalytic Tandem Reaction Involving CC Bond Formation from Alcohols","Journal of the American Chemical Society","2007","129","","1987","1995","10.1021/ja065790c","","","0.71073","MoKα","","0.0455","0.0368","","","0.0851","0.0898","","","","","","1.051","","","","has coordinates,has disorder","178836","2020-10-21","18:00:00",""
"4109093","10.486","0.0001","22.622","0.0003","19.816","0.0003","90","","92.417","0.001","90","","4696.46","0.1","396","2","396","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H52 N2 O P2 Ru -","- C56 H52 N2 O P2 Ru -","- C224 H208 N8 O4 P8 Ru4 -","4","2","","Suzanne Burling; Belinda M. Paine; Devendrababu Nama; Victoria S. Brown; Mary F. Mahon; Timothy J. Prior; Paul S. Pregosin; Michael K. Whittlesey; Jonathan M. J. Williams","CH Activation Reactions of Ruthenium N-Heterocyclic Carbene Complexes: Application in a Catalytic Tandem Reaction Involving CC Bond Formation from Alcohols","Journal of the American Chemical Society","2007","129","","1987","1995","10.1021/ja065790c","","","0.71073","MoKα","","0.075","0.0421","","","0.0742","0.082","","","","","","1.014","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109094","17.5945","0.0008","8.6401","0.0004","17.4677","0.0008","90","","94.092","0.001","90","","2648.6","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 O P Rh Si -","- C25 H42 O P Rh Si -","- C100 H168 O4 P4 Rh4 Si4 -","4","1","","Amy H. Roy; Christian P. Lenges; Maurice Brookhart","Scope and Mechanism of the Intermolecular Addition of Aromatic Aldehydes to Olefins Catalyzed by Rh(I) Olefin Complexes","Journal of the American Chemical Society","2007","129","","2082","2093","10.1021/ja066509x","","","0.71073","MolybdenumKα","","0.021","0.017","","0.022","0.022","","","","","","","1.33","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109095","10.05","0.002","18.319","0.004","21.396","0.005","76.932","0.004","80.904","0.004","78.553","0.004","3734.3","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H172 N8 O6 P8 Pt4 -","- C130 H170 N8 O14 P8 Pt4 -","- C130 H170 N8 O14 P8 Pt4 -","1","0.5","","Hai-Bo Yang; Adam M. Hawkridge; Songping D. Huang; Neeladri Das; Scott D. Bunge; David C. Muddiman; Peter J. Stang","Coordination-Driven Self-Assembly of Metallodendrimers Possessing Well-Defined and Controllable Cavities as Cores","Journal of the American Chemical Society","2007","129","","2120","2129","10.1021/ja066804h","","","0.71073","MoKα","","0.1065","0.0722","","","0.2095","0.243","","","","","","1.058","","","","has coordinates,has disorder","178836","2020-10-21","18:00:00",""
"4109096","14.111","0.003","14.348","0.003","26.476","0.005","79.705","0.003","78.901","0.003","76.468","0.003","5063.7","1.8","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C158 H196 Cl2 N8 O10 P8 Pt4 -","- C164 H174 Cl8 N4 O20 P8 Pt4 -","- C164 H174 Cl8 N4 O20 P8 Pt4 -","1","0.5","","Hai-Bo Yang; Adam M. Hawkridge; Songping D. Huang; Neeladri Das; Scott D. Bunge; David C. Muddiman; Peter J. Stang","Coordination-Driven Self-Assembly of Metallodendrimers Possessing Well-Defined and Controllable Cavities as Cores","Journal of the American Chemical Society","2007","129","","2120","2129","10.1021/ja066804h","","","0.71073","MoKα","","0.1652","0.0805","","","0.2211","0.2695","","","","","","1.034","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109097","15.182","0.001","19.779","0.002","23.308","0.002","90","","90","","90","","6999","1","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C78 H76 Cl6 O2 P3 Rh3 -","- C78 H76 Cl6 O2 P3 Rh3 -","- C312 H304 Cl24 O8 P12 Rh12 -","4","1","","Wei-Liang Duan; Hiroshi Iwamura; Ryo Shintani; Tamio Hayashi","Chiral Phosphine-Olefin Ligands in the Rhodium-Catalyzed Asymmetric 1,4-Addition Reactions","Journal of the American Chemical Society","2007","129","","2130","2138","10.1021/ja0671013","","","0.7107","MoKα","","","0.029","","","","0.036","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109098","46.636","0.005","46.636","0.005","46.636","0.005","90","","90","","90","","101429","19","250","2","250","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","PCN-6'","","","- C32 H16 Cu2 N4 O10 -","- C32 H16 Cu2 N4 O10 -","- C768 H384 Cu48 N96 O240 -","24","0.125","","Shengqian Ma; Daofeng Sun; Michael Ambrogio; Jacqueline A. Fillinger; Sean Parkin; Hong-Cai Zhou","Framework-Catenation Isomerism in Metal-Organic Frameworks and Its Impact on Hydrogen Uptake","Journal of the American Chemical Society","2007","129","","1858","1859","10.1021/ja067435s","","","1.54178","CuKα","","0.0886","0.065","","","0.1605","0.1721","","","","","","1.153","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109099","37.291","0.002","37.291","0.002","92.159","0.003","90","","90","","120","","110988","9","258","2","258","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","MOF-HTB","","","- C108 H48 Cu6 N28 O30 -","- C109.5 H48 Cu6 N28 O30 -","- C1314 H576 Cu72 N336 O360 -","12","0.333333","","Shengqian Ma; Daofeng Sun; Michael Ambrogio; Jacqueline A. Fillinger; Sean Parkin; Hong-Cai Zhou","Framework-Catenation Isomerism in Metal-Organic Frameworks and Its Impact on Hydrogen Uptake","Journal of the American Chemical Society","2007","129","","1858","1859","10.1021/ja067435s","","","1.54178","CuKα","","0.1238","0.108","","","0.3272","0.3451","","","","","","1.637","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109100","52.993","0.006","52.993","0.006","52.993","0.006","90","","90","","90","","148818","3","295","2","295","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","MOF-HTB'","","","- C9 H4 Cu0.5 N2.33 O2.5 -","- C9 H4 Cu0.5 N2.33333 O2.5 -","- C864 H384 Cu48 N224 O240 -","96","0.5","","Shengqian Ma; Daofeng Sun; Michael Ambrogio; Jacqueline A. Fillinger; Sean Parkin; Hong-Cai Zhou","Framework-Catenation Isomerism in Metal-Organic Frameworks and Its Impact on Hydrogen Uptake","Journal of the American Chemical Society","2007","129","","1858","1859","10.1021/ja067435s","","","1.54178","CuKα","","0.0659","0.0417","","","0.0971","0.1042","","","","","","0.951","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109101","11.8357","0.0003","18.8226","0.0005","18.9559","0.0006","90","","95.102","0.001","90","","4206.2","0.2","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 P4 Si4 Ti -","- C36 H58 P4 Si4 Ti -","- C144 H232 P16 Si16 Ti4 -","4","1","","Michael D. Spencer; Quinetta D. Shelby; Gregory S. Girolami","Titanium-Catalyzed Dehydrocoupling of Silanes: Direct Conversion of Primary Monosilanes to Titanium(0) Oligosilane Complexes with Agostic α-Si-H...Ti Interactions","Journal of the American Chemical Society","2007","129","","1860","1861","10.1021/ja067503a","","","0.71073","MoKα","","0.1291","0.0463","","0.0779","","0.067","","","0.755","","","1.002","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109102","12.1252","0.0018","18.51","0.003","14.973","0.002","90","","107.956","0.003","90","","3196.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 B F15 P -","- C30 H29 B F15 P -","- C120 H116 B4 F60 P4 -","4","1","","Gregory C. Welch; Douglas W. Stephan","Facile Heterolytic Cleavage of Dihydrogen by Phosphines and Boranes","Journal of the American Chemical Society","2007","129","","1880","1881","10.1021/ja067961j","","","0.71073","MoKα","","0.2408","0.1254","","","0.3352","0.4022","","","","","","1.069","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109103","13.611","0.0011","8.4257","0.0004","15.6598","0.0012","90","","98.437","0.003","90","","1776.5","0.2","120","2","120","2","","","","","","","Roberto Quesada","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 N2 O4 -","- C18 H28 N2 O4 -","- C72 H112 N8 O16 -","4","1","","Paul V. Santacroce; Jeffery T. Davis; Mark E. Light; Philip A. Gale; José Carlos Iglesias-Sánchez; Pilar Prados; Roberto Quesada","Conformational Control of Transmembrane Cl-Transport","Journal of the American Chemical Society","2007","129","","1886","1887","10.1021/ja068067v","","","0.71073","MoKα","","0.1433","0.0662","","","0.1399","0.1674","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109104","14.7447","0.0006","21.143","0.0009","15.954","0.0007","90","","101.983","0.002","90","","4865.2","0.4","120","2","120","2","","","","","","","Roberto Quesada","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 N2 O4 -","- C16 H24 N2 O4 -","- C192 H288 N24 O48 -","12","3","","Paul V. Santacroce; Jeffery T. Davis; Mark E. Light; Philip A. Gale; José Carlos Iglesias-Sánchez; Pilar Prados; Roberto Quesada","Conformational Control of Transmembrane Cl-Transport","Journal of the American Chemical Society","2007","129","","1886","1887","10.1021/ja068067v","","","0.71073","MoKα","","0.259","0.0793","","","0.1765","0.2418","","","","","","0.926","","","","has coordinates,has disorder","178837","2020-10-21","18:00:00",""
"4109105","37.074","0.002","9.0221","0.0005","9.3593","0.0005","90","","90","","90","","3130.5","0.3","120","","120","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C33 H29 N9 O4 -","- C33 H29 N9 O4 -","- C132 H116 N36 O16 -","4","0.5","","Iwao Okamoto; Mayumi Nabeta; Yasuko Hayakawa; Nobuyoshi Morita; Tetsuya Takeya; Hyuma Masu; Isao Azumaya; Osamu Tamura","Acid-Induced Molecular Folding and Unfolding of N-Methyl Aromatic Amide Bearing 2,6-Disubstituted Pyridines","Journal of the American Chemical Society","2007","129","","1892","1893","10.1021/ja0682879","","","0.71073","MoKα","","0.095","0.0531","","","0.099","0.1133","","","","","","0.937","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109106","26.4","0.02","9.105","0.008","16.398","0.015","90","","115.715","0.01","90","","3551","5","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 Cl2 N9 O12 -","- C33 H31 Cl2 N9 O12 -","- C132 H124 Cl8 N36 O48 -","4","0.5","","Iwao Okamoto; Mayumi Nabeta; Yasuko Hayakawa; Nobuyoshi Morita; Tetsuya Takeya; Hyuma Masu; Isao Azumaya; Osamu Tamura","Acid-Induced Molecular Folding and Unfolding of N-Methyl Aromatic Amide Bearing 2,6-Disubstituted Pyridines","Journal of the American Chemical Society","2007","129","","1892","1893","10.1021/ja0682879","","","0.71073","MoKα","","0.1766","0.1345","","","0.347","0.3668","","","","","","1.093","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109107","11.9275","0.0003","6.0749","0.0002","34.473","0.0008","90","","93.038","0.002","90","","2494.35","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 B O8 -","- C25 H33 B O8 -","- C100 H132 B4 O32 -","4","1","","Juan Marco-Martínez; Verónica López-Carrillo; Elena Buñuel; Raquel Simancas; Diego J. Cárdenas","Pd-Catalyzed Borylative Cyclization of 1,6-Enynes","Journal of the American Chemical Society","2007","129","","1874","1875","10.1021/ja0685598","","","1.54178","CuKα","","0.0748","0.0444","","","0.0997","0.1146","","","","","","0.983","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109108","10.693","0.002","17.341","0.004","18.915","0.004","90","","106.35","0.03","90","","3365.5","1.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H59 B O2 P3 Rh -","- C27.5 H59 B O2 P3 Rh -","- C110 H236 B4 O8 P12 Rh4 -","4","1","","Pinjing Zhao; Christopher D. Incarvito; John F. Hartwig","Directly Observed Transmetalation from Boron to Rhodium. β-Aryl Elimination from Rh(I) Arylboronates and Diarylborinates","Journal of the American Chemical Society","2007","129","","1876","1877","10.1021/ja068587q","","","0.71073","MoKα","","0.0693","0.0388","","","0.0868","0.096","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109109","13.5894","0.0003","12.7606","0.0004","18.803","0.0005","90","","117.84","0.0017","90","","2883.21","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 Cl4 Fe N4 O5 -","- C25 H31 Cl4 Fe N4 O5 -","- C100 H124 Cl16 Fe4 N16 O20 -","4","1","","Pieter C. A. Bruijnincx; Martin Lutz; Anthony L. Spek; Wilfred R. Hagen; Bert M. Weckhuysen; Gerard van Koten; Robertus J. M. Klein Gebbink","Modeling the 2-His-1-Carboxylate Facial Triad: Iron-Catecholato Complexes as Structural and Functional Models of the Extradiol Cleaving Dioxygenases","Journal of the American Chemical Society","2007","129","","2275","2286","10.1021/ja064816x","","","0.71073","MoKα","","0.0637","0.0375","","","0.0832","0.0947","","","","","","1.088","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109110","14.1135","0.0004","18.7149","0.0006","14.8501","0.0004","90","","97.8247","0.001","90","","3885.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Fe(TPFP)(NO)(1-MeIm)]","","","- C48 H30 F4 Fe N7 O -","- C48 H30 F4 Fe N7 O -","- C192 H120 F16 Fe4 N28 O4 -","4","1","","Nathan J. Silvernail; Alexander Barabanschikov; Jeffrey W. Pavlik; Bruce C. Noll; Jiyong Zhao; E. Ercan Alp; Wolfgang Sturhahn; J. Timothy Sage; W. Robert Scheidt","Interplay of Structure and Vibrational Dynamics in Six-Coordinate Heme Nitrosyls","Journal of the American Chemical Society","2007","129","","2200","2201","10.1021/ja066869k","","","0.71073","MoKα","","0.052","0.0383","","","0.0983","0.1077","","","","","","1.04","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109111","11.4205","0.0002","12.1603","0.0002","14.3296","0.0002","92.789","0.001","102.651","0.001","99.585","0.001","1907.12","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Fe(TPFP)(NO)(1-MeIm)]","","","- C48 H30 F4 Fe N7 O -","- C48 H30 F4 Fe N7 O -","- C96 H60 F8 Fe2 N14 O2 -","2","1","","Nathan J. Silvernail; Alexander Barabanschikov; Jeffrey W. Pavlik; Bruce C. Noll; Jiyong Zhao; E. Ercan Alp; Wolfgang Sturhahn; J. Timothy Sage; W. Robert Scheidt","Interplay of Structure and Vibrational Dynamics in Six-Coordinate Heme Nitrosyls","Journal of the American Chemical Society","2007","129","","2200","2201","10.1021/ja066869k","","","0.71073","MoKα","","0.0432","0.0346","","","0.0936","0.0995","","","","","","1.044","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109112","27.687","0.013","15.086","0.005","18.057","0.007","90","","118.63","0.014","90","","6620","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H45 Cl Cr N O -","- C29 H45 Cl Cr N O -","- C232 H360 Cl8 Cr8 N8 O8 -","8","1","","Tieqi Xu; Ying Mu; Wei Gao; Jianguo Ni; Ling Ye; Yanchun Tao","Highly Active Half-Metallocene Chromium(III) Catalysts for Ethylene Polymerization Activated by Trialkylaluminum","Journal of the American Chemical Society","2007","129","","2236","2237","10.1021/ja0671363","","","0.71073","MoKα","","0.1391","0.0705","","","0.1648","0.1968","","","","","","1.025","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109113","13.117","0.004","11.47","0.004","20.571","0.008","90","","106.435","0.011","90","","2968.5","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 Cl Cr N O -","- C31 H41 Cl Cr N O -","- C124 H164 Cl4 Cr4 N4 O4 -","4","1","","Tieqi Xu; Ying Mu; Wei Gao; Jianguo Ni; Ling Ye; Yanchun Tao","Highly Active Half-Metallocene Chromium(III) Catalysts for Ethylene Polymerization Activated by Trialkylaluminum","Journal of the American Chemical Society","2007","129","","2236","2237","10.1021/ja0671363","","","0.71073","MoKα","","0.1466","0.0668","","","0.1191","0.148","","","","","","1.022","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109114","11.988","0.004","23.774","0.008","12.62","0.003","90","","104.731","0.012","90","","3478.5","1.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H53 Cl Cr N O -","- C37 H53 Cl Cr N O -","- C148 H212 Cl4 Cr4 N4 O4 -","4","1","","Tieqi Xu; Ying Mu; Wei Gao; Jianguo Ni; Ling Ye; Yanchun Tao","Highly Active Half-Metallocene Chromium(III) Catalysts for Ethylene Polymerization Activated by Trialkylaluminum","Journal of the American Chemical Society","2007","129","","2236","2237","10.1021/ja0671363","","","0.71073","MoKα","","0.0831","0.0496","","","0.1115","0.1297","","","","","","1.032","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109115","24.3216","0.0006","15.5835","0.0004","16.6696","0.0003","90","","116.988","0.0012","90","","5630","0.2","150","1","150","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C50 H48 B3 Cl2 Co2 F12 N12 O4 -","- C50 H48 B3 Cl2 Co2 F12 N12 O4 -","- C200 H192 B12 Cl8 Co8 F48 N48 O16 -","4","0.5","","Kil Sik Min; Antonio G. DiPasquale; James A. Golen; Arnold L. Rheingold; Joel S. Miller","Synthesis, Structure, and Magnetic Properties of Valence Ambiguous Dinuclear Antiferromagnetically Coupled Cobalt and Ferromagnetically Coupled Iron Complexes Containing the Chloranilate(2-) and the Significantly Stronger Coupling Chloranilate(.3-) Radical Trianion","Journal of the American Chemical Society","2007","129","","2360","2368","10.1021/ja067208q","","","0.71073","MoKα","","0.0693","0.0436","","","0.0946","0.106","","","","","","1.05","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109116","9.005","0.002","10.239","0.002","14.93","0.004","88.531","0.004","79.184","0.004","77.1","0.004","1317.8","0.5","208","2","208","2","","","","","","","","8","P -1","-P 1","2","KS-108-03","","","- C44 H39 B4 Cl2 Co2 F16 N9 O4 -","- C42 H36 Cl2 Co2 N8 O4 -","- C42 H36 Cl2 Co2 N8 O4 -","1","0.5","","Kil Sik Min; Antonio G. DiPasquale; James A. Golen; Arnold L. Rheingold; Joel S. Miller","Synthesis, Structure, and Magnetic Properties of Valence Ambiguous Dinuclear Antiferromagnetically Coupled Cobalt and Ferromagnetically Coupled Iron Complexes Containing the Chloranilate(2-) and the Significantly Stronger Coupling Chloranilate(.3-) Radical Trianion","Journal of the American Chemical Society","2007","129","","2360","2368","10.1021/ja067208q","","","0.71073","MoKα","","0.0805","0.0641","","","0.1465","0.1534","","","","","","1.092","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4109117","26.758","0.004","10.976","0.0017","16.503","0.003","90","","93.324","0.002","90","","4838.7","1.4","218","2","218","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 B Cl F4 Fe N4 O3 -","- C21 H18 B Cl F4 Fe N4 O2 -","- C168 H144 B8 Cl8 F32 Fe8 N32 O16 -","8","1","","Kil Sik Min; Antonio G. DiPasquale; James A. Golen; Arnold L. Rheingold; Joel S. Miller","Synthesis, Structure, and Magnetic Properties of Valence Ambiguous Dinuclear Antiferromagnetically Coupled Cobalt and Ferromagnetically Coupled Iron Complexes Containing the Chloranilate(2-) and the Significantly Stronger Coupling Chloranilate(.3-) Radical Trianion","Journal of the American Chemical Society","2007","129","","2360","2368","10.1021/ja067208q","","","0.71073","MoKα","","0.0518","0.0464","","","0.1161","0.1186","","","","","","1.096","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109118","9.913","0.0002","13.1154","0.0003","12.6473","0.0002","90","","91.96","0.001","90","","1643.35","0.06","80","2","80","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H4 Br6 N2 -","- C13 H4 Br6 N2 -","- C52 H16 Br24 N8 -","4","1","","Masaki Kawano; Katsuyuki Hirai; Hideo Tomioka; Yuji Ohashi","Structure Determination of Triplet Diphenylcarbenes by in Situ X-ray Crystallographic Analysis","Journal of the American Chemical Society","2007","129","","2383","2391","10.1021/ja067306b","","","0.71073","MoKα","","0.0483","0.0305","","","0.0618","0.0656","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109119","9.9776","0.0003","13.096","0.0004","12.6356","0.0004","90","","91.409","0.001","90","","1650.55","0.09","80","2","80","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H4 Br6 N2 -","- C13 H4 Br6 N2 -","- C52 H16 Br24 N8 -","4","1","","Masaki Kawano; Katsuyuki Hirai; Hideo Tomioka; Yuji Ohashi","Structure Determination of Triplet Diphenylcarbenes by in Situ X-ray Crystallographic Analysis","Journal of the American Chemical Society","2007","129","","2383","2391","10.1021/ja067306b","","","0.71073","MoKα","","0.0787","0.0408","","","0.0768","0.0848","","","","","","1.054","","","","has coordinates,has disorder","178837","2020-10-21","18:00:00",""
"4109120","8.3253","0.0003","8.5901","0.0003","12.3494","0.0004","78.629","0.001","82.928","0.001","71.105","0.001","817.5","0.05","80","2","80","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H10 Br4 N2 -","- C15 H10 Br4 N2 -","- C30 H20 Br8 N4 -","2","1","","Masaki Kawano; Katsuyuki Hirai; Hideo Tomioka; Yuji Ohashi","Structure Determination of Triplet Diphenylcarbenes by in Situ X-ray Crystallographic Analysis","Journal of the American Chemical Society","2007","129","","2383","2391","10.1021/ja067306b","","","0.71073","MoKα","","0.0542","0.0329","","","0.0743","0.0783","","","","","","0.973","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109121","13.9646","0.0002","10.1344","0.0001","17.5916","0.0003","90","","112.585","0.001","90","","2298.69","0.06","80","2","80","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Br4 N2 -","- C21 H22 Br4 N2 -","- C84 H88 Br16 N8 -","4","1","","Masaki Kawano; Katsuyuki Hirai; Hideo Tomioka; Yuji Ohashi","Structure Determination of Triplet Diphenylcarbenes by in Situ X-ray Crystallographic Analysis","Journal of the American Chemical Society","2007","129","","2383","2391","10.1021/ja067306b","","","0.71073","MoKα","","0.1078","0.0429","","","0.073","0.0877","","","","","","0.976","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109122","13.9645","0.0003","10.1039","0.0003","17.5479","0.0004","90","","112.625","0.001","90","","2285.39","0.1","80","2","80","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Br4 N2 -","- C21 H22 Br4 N2 -","- C84 H88 Br16 N8 -","4","1","","Masaki Kawano; Katsuyuki Hirai; Hideo Tomioka; Yuji Ohashi","Structure Determination of Triplet Diphenylcarbenes by in Situ X-ray Crystallographic Analysis","Journal of the American Chemical Society","2007","129","","2383","2391","10.1021/ja067306b","","","0.71073","MoKα","","0.12","0.0473","","","0.0893","0.1082","","","","","","0.99","","","","has coordinates,has disorder","178837","2020-10-21","18:00:00",""
"4109123","10.869","0.002","11.121","0.001","15.731","0.002","93.64","0.01","90.928","0.009","94.05","0.01","1892.5","0.5","80","2","80","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Br3 N2 -","- C19 H19 Br3 N2 -","- C76 H76 Br12 N8 -","4","2","","Masaki Kawano; Katsuyuki Hirai; Hideo Tomioka; Yuji Ohashi","Structure Determination of Triplet Diphenylcarbenes by in Situ X-ray Crystallographic Analysis","Journal of the American Chemical Society","2007","129","","2383","2391","10.1021/ja067306b","","","0.71073","MoKα","","0.0946","0.0388","","","0.0698","0.0814","","","","","","0.923","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109124","16.7682","0.0005","3.9553","0.0001","19.7247","0.0006","90","","113.701","0.001","90","","1197.87","0.06","80","2","80","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br2 N2 -","- C13 H8 Br2 N2 -","- C52 H32 Br8 N8 -","4","1","","Masaki Kawano; Katsuyuki Hirai; Hideo Tomioka; Yuji Ohashi","Structure Determination of Triplet Diphenylcarbenes by in Situ X-ray Crystallographic Analysis","Journal of the American Chemical Society","2007","129","","2383","2391","10.1021/ja067306b","","","0.71073","MoKα","","0.0418","0.0264","","","0.0584","0.0619","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109125","10.9895","0.0002","5.4546","0.0001","16.1924","0.0001","90","","93.642","0.001","90","","968.67","0.03","80","2","80","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H8 N2 -","- C13 H8 N2 -","- C52 H32 N8 -","4","2","","Masaki Kawano; Katsuyuki Hirai; Hideo Tomioka; Yuji Ohashi","Structure Determination of Triplet Diphenylcarbenes by in Situ X-ray Crystallographic Analysis","Journal of the American Chemical Society","2007","129","","2383","2391","10.1021/ja067306b","","","0.71073","MoKα","","0.079","0.0587","","","0.1447","0.1554","","","","","","1.032","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109126","6.187","0.004","7.662","0.006","16.21","0.01","90","","92.49","0.02","90","","767.7","0.9","293.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H12 S2 -","- C22 H12 S2 -","- C44 H24 S4 -","2","1","","Tatsuya Yamamoto; Kazuo Takimiya","Facile Synthesis of Highly π-Extended Heteroarenes, Dinaphtho[2,3-b:2',3'-f]chalcogenopheno[3,2-b]chalcogenophenes, and Their Application to Field-Effect Transistors","Journal of the American Chemical Society","2007","129","","2224","2225","10.1021/ja068429z","","","0.7107","MoKα","","","0.044","","","","0.068","","","","","","0.984","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109127","10.845","0.004","11.766","0.005","34.172","0.013","84.827","0.01","86.286","0.011","75.697","0.011","4204","3","126","2","126","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H66 N2 P2 Ti -","- C43 H66 N2 P2 Ti -","- C172 H264 N8 P8 Ti4 -","4","2","","Brad C. Bailey; Alison R. Fout; Hongjun Fan; John Tomaszewski; John C. Huffman; J. Brannon Gary; Marc J. A. Johnson; Daniel J. Mindiola","Snapshots of an Alkylidyne for Nitride Triple-Bond Metathesis","Journal of the American Chemical Society","2007","129","","2234","2235","10.1021/ja0689684","","","0.71073","MoKα","","0.1735","0.073","","","0.1156","0.1442","","","","","","0.791","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109128","11.655","0.002","41.822","0.008","14.864","0.003","90","","94.14","0.03","90","","7226","2","126","2","126","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H55 Cl N2 P2 Si Ti -","- C31.5 H55 Cl N2 P2 Si Ti -","- C252 H440 Cl8 N16 P16 Si8 Ti8 -","8","2","","Brad C. Bailey; Alison R. Fout; Hongjun Fan; John Tomaszewski; John C. Huffman; J. Brannon Gary; Marc J. A. Johnson; Daniel J. Mindiola","Snapshots of an Alkylidyne for Nitride Triple-Bond Metathesis","Journal of the American Chemical Society","2007","129","","2234","2235","10.1021/ja0689684","","","0.71073","MoKα","","0.0672","0.0375","","","0.085","0.0939","","","","","","0.889","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109129","11.0567","0.0008","18.3297","0.0013","18.4304","0.0014","81.664","0.002","87.757","0.002","89.504","0.002","3692.9","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H58 Al2 N2 P2 Ti -","- C32 H58 Al2 N2 P2 Ti -","- C128 H232 Al8 N8 P8 Ti4 -","4","2","","Brad C. Bailey; Alison R. Fout; Hongjun Fan; John Tomaszewski; John C. Huffman; J. Brannon Gary; Marc J. A. Johnson; Daniel J. Mindiola","Snapshots of an Alkylidyne for Nitride Triple-Bond Metathesis","Journal of the American Chemical Society","2007","129","","2234","2235","10.1021/ja0689684","","","0.71073","MoKα","","0.0697","0.041","","","0.0891","0.0965","","","","","","0.92","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109130","16.029","0.004","13.029","0.003","17.866","0.006","90","","103.364","0.011","90","","3630.1","1.7","123.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H23 F12 N O3 S -","- C42 H23 F12 N O3 S -","- C168 H92 F48 N4 O12 S4 -","4","2","","Takashi Ooi; Kohsuke Ohmatsu; Keiji Maruoka","Catalytic Asymmetric Rearrangement of α,α-Disubstituted α-Siloxy Aldehydes to Optically Active Acyloins Using Axially Chiral Organoaluminum Lewis Acids","Journal of the American Chemical Society","2007","129","","2410","2411","10.1021/ja063051q","","","0.71075","MoKα","","","0.0506","","","","0.1341","","","","","","1.326","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109131","18.566","0.003","10.4527","0.0015","19.192","0.003","90","","108.009","0.002","90","","3542","0.9","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C38 H63 Ce O0.5 -","- C38 H63 Ce O0.5 -","- C152 H252 Ce4 O2 -","4","1","","Evan L. Werkema; Laurent Maron; Odile Eisenstein; Richard A. Andersen","Reactions of Monomeric [1,2,4-(Me3C)3C5H2]2CeH and CO with or without H2: An Experimental and Computational Study","Journal of the American Chemical Society","2007","129","","2529","2541","10.1021/ja066482h","","","0.71073","MoKα","","0.1207","0.0716","","","0.1424","0.1597","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109132","10.5543","0.0006","10.658","0.0006","15.7061","0.0009","73.949","0.001","81.19","0.001","83.217","0.001","1672.49","0.16","166.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H118 Ce2 O2 -","- C70 H118 Ce2 O2 -","- C70 H118 Ce2 O2 -","1","0.5","","Evan L. Werkema; Laurent Maron; Odile Eisenstein; Richard A. Andersen","Reactions of Monomeric [1,2,4-(Me3C)3C5H2]2CeH and CO with or without H2: An Experimental and Computational Study","Journal of the American Chemical Society","2007","129","","2529","2541","10.1021/ja066482h","","","0.7107","MoKα","","0.0447","0.0384","","0.0499","","0.0481","","","","","","1.584","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109133","12.1738","0.0013","15.991","0.002","19.349","0.003","84.22","0.003","79.055","0.003","68.46","0.02","3437.9","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H118 Ce2 O2 -","- C70 H118 Ce2 O2 -","- C140 H236 Ce4 O4 -","2","1","","Evan L. Werkema; Laurent Maron; Odile Eisenstein; Richard A. Andersen","Reactions of Monomeric [1,2,4-(Me3C)3C5H2]2CeH and CO with or without H2: An Experimental and Computational Study","Journal of the American Chemical Society","2007","129","","2529","2541","10.1021/ja066482h","","","0.775","synchrotron","","0.0964","0.0583","","","0.1483","0.1606","","","","","","0.976","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109134","15.777","0.003","11.349","0.002","30.139","0.006","90","","105.16","0.01","90","","5208.7","1.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tert-Butylamidophenyltris-(1-tert-butyl-imidazol-2-ylidene)boratocobalt(II)","","- C31 H47 B Co N7 -","- C10.9412 H16.8824 B0.352941 Co0.352941 N2.47059 -","- C186 H287 B6 Co6 N42 -","17","8.5","","Ryan E. Cowley; Ranko P. Bontchev; John Sorrell; Orcino Sarracino; Yanhua Feng; Haobin Wang; Jeremy M. Smith","Formation of a Cobalt(III) Imido from a Cobalt(II) Amido Complex. Evidence for Proton-Coupled Electron Transfer","Journal of the American Chemical Society","2007","129","","2424","2425","10.1021/ja066899n","","","0.71073","MoKα","","0.0657","0.0537","","","0.1563","0.1664","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109135","9.6389","0.0003","20.8449","0.0007","17.178","0.0006","90","","100.028","0.002","90","","3398.7","0.2","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tert-Butylimidophenyltris-(1-tert-butyl-imidazol-2-ylidene)boratocobalt(iii)","","- C21.67 H32 B0.67 Co0.67 N4.67 O0.33 -","- C21.6667 H32 B0.666667 Co0.666667 N4.66667 O0.333333 -","- C130 H192 B4 Co4 N28 O2 -","6","1.5","","Ryan E. Cowley; Ranko P. Bontchev; John Sorrell; Orcino Sarracino; Yanhua Feng; Haobin Wang; Jeremy M. Smith","Formation of a Cobalt(III) Imido from a Cobalt(II) Amido Complex. Evidence for Proton-Coupled Electron Transfer","Journal of the American Chemical Society","2007","129","","2424","2425","10.1021/ja066899n","","","0.71073","MoKα","","0.0593","0.0519","","","0.1651","0.1783","","","","","","1.15","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109136","26.287","0.006","10.919","0.003","10.265","0.003","90","","90","","90","","2946.3","1.4","133.2","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H46 N2 Ni O2 -","- C32 H46 N2 Ni O2 -","- C128 H184 N8 Ni4 O8 -","4","0.5","","Yuichi Shimazaki; Tatsuo Yajima; Fumito Tani; Satoru Karasawa; Koichi Fukui; Yoshinori Naruta; Osamu Yamauchi","Syntheses and Electronic Structures of One-Electron-Oxidized Group 10 Metal(II)-(Disalicylidene)diamine Complexes (Metal = Ni, Pd, Pt)","Journal of the American Chemical Society","2007","129","","2559","2568","10.1021/ja067022r","","","0.7107","MoKα","","","0.0427","","","","0.0919","","","","","","0.816","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109137","26.674","0.008","10.956","0.004","10.273","0.004","90","","90","","90","","3002.2","1.8","133.2","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H46 N2 O2 Pd -","- C32 H46 N2 O2 Pd -","- C128 H184 N8 O8 Pd4 -","4","0.5","","Yuichi Shimazaki; Tatsuo Yajima; Fumito Tani; Satoru Karasawa; Koichi Fukui; Yoshinori Naruta; Osamu Yamauchi","Syntheses and Electronic Structures of One-Electron-Oxidized Group 10 Metal(II)-(Disalicylidene)diamine Complexes (Metal = Ni, Pd, Pt)","Journal of the American Chemical Society","2007","129","","2559","2568","10.1021/ja067022r","","","0.7107","MoKα","","","0.0609","","","","0.155","","","","","","1.326","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109138","26.78","0.01","11.036","0.005","10.181","0.005","90","","90","","90","","3009","2","133.2","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H46 N2 O2 Pt -","- C32 H46 N2 O2 Pt -","- C128 H184 N8 O8 Pt4 -","4","0.5","","Yuichi Shimazaki; Tatsuo Yajima; Fumito Tani; Satoru Karasawa; Koichi Fukui; Yoshinori Naruta; Osamu Yamauchi","Syntheses and Electronic Structures of One-Electron-Oxidized Group 10 Metal(II)-(Disalicylidene)diamine Complexes (Metal = Ni, Pd, Pt)","Journal of the American Chemical Society","2007","129","","2559","2568","10.1021/ja067022r","","","0.7107","MoKα","","","0.0423","","","","0.1128","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109139","22.498","0.002","22.498","0.002","5.9121","0.0011","90","","90","","90","","2992.5","0.7","193","2","193","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C9 H9 N O -","- C9 H9 N O -","- C144 H144 N16 O16 -","16","1","","Derrick L. J. Clive; Mai P. Pham; Rajendra Subedi","Carbocyclization by Radical Closure onto O-Trityl Oximes: Dramatic Effect of Diphenyl Diselenide","Journal of the American Chemical Society","2007","129","","2713","2717","10.1021/ja067117t","","","0.71073","MoKα","","0.096","0.0444","","","0.0982","0.1191","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109140","10.7378","0.0006","11.807","0.0007","39.466","0.002","90","","90","","90","","5003.5","0.5","98","2","98","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C55 H57 Cl3 N6 Ni2 O3 -","- C55 H57 Cl3 N6 Ni2 O3 -","- C220 H228 Cl12 N24 Ni8 O12 -","4","1","","Vadim A. Soloshonok; Hisanori Ueki","Design, Synthesis, and Characterization of Binuclear Ni(II) Complexes with Inherent Helical Chirality","Journal of the American Chemical Society","2007","129","","2426","2427","10.1021/ja0671215","","","0.71073","MoKα","","0.0282","0.0271","","","0.0664","0.0668","","","","","","1.083","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109141","12.6201","0.0018","12.9334","0.0018","14.146","0.002","83.683","0.005","69.965","0.005","63.19","0.005","1933.3","0.5","97","2","97","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 N6 Ni2 O6 -","- C42 H42 N6 Ni2 O6 -","- C84 H84 N12 Ni4 O12 -","2","1","","Vadim A. Soloshonok; Hisanori Ueki","Design, Synthesis, and Characterization of Binuclear Ni(II) Complexes with Inherent Helical Chirality","Journal of the American Chemical Society","2007","129","","2426","2427","10.1021/ja0671215","","","0.71073","MoKα","","0.0619","0.0564","","","0.1567","0.1625","","","","","","1.004","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109142","9.7788","0.0016","14.374","0.002","15.608","0.002","89.393","0.005","74.856","0.005","80.224","0.005","2085.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H58.5 N6 Ni2 O2.25 -","- C46 H58.25 N6 Ni2 O2.25 -","- C92 H116.5 N12 Ni4 O4.5 -","2","1","","Vadim A. Soloshonok; Hisanori Ueki","Design, Synthesis, and Characterization of Binuclear Ni(II) Complexes with Inherent Helical Chirality","Journal of the American Chemical Society","2007","129","","2426","2427","10.1021/ja0671215","","","0.71073","MoKα","","0.0318","0.0281","","","0.0743","0.0765","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109143","15.11","0.003","15.309","0.003","20.414","0.003","90","","98.416","0.002","90","","4671.3","1.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H50 N6 Ni2 O2 -","- C58 H50 N6 Ni2 O2 -","- C232 H200 N24 Ni8 O8 -","4","0.5","","Vadim A. Soloshonok; Hisanori Ueki","Design, Synthesis, and Characterization of Binuclear Ni(II) Complexes with Inherent Helical Chirality","Journal of the American Chemical Society","2007","129","","2426","2427","10.1021/ja0671215","","","0.71073","MoKα","","0.0744","0.0462","","","0.1049","0.1162","","","","","","1.01","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109144","15.6194","0.0011","21.1141","0.0015","24.6763","0.0018","90","","90","","90","","8138","1","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H52 N6 Ni2 O3 -","- C44 H52 N6 Ni2 O3 -","- C352 H416 N48 Ni16 O24 -","8","1","","Vadim A. Soloshonok; Hisanori Ueki","Design, Synthesis, and Characterization of Binuclear Ni(II) Complexes with Inherent Helical Chirality","Journal of the American Chemical Society","2007","129","","2426","2427","10.1021/ja0671215","","","0.71073","MoKα","","0.0421","0.0315","","","0.0756","0.0815","","","","","","1.047","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109145","15.3554","0.0008","12.2744","0.0007","12.4945","0.0007","90","","90","","90","","2354.9","0.2","120","2","120","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C52 H50 Cl4 N6 Ni2 O2 -","- C52 H50 Cl4 N6 Ni2 O2 -","- C104 H100 Cl8 N12 Ni4 O4 -","2","0.5","","Vadim A. Soloshonok; Hisanori Ueki","Design, Synthesis, and Characterization of Binuclear Ni(II) Complexes with Inherent Helical Chirality","Journal of the American Chemical Society","2007","129","","2426","2427","10.1021/ja0671215","","","0.71073","MoKα","","0.0278","0.027","","","0.0712","0.0717","","","","","","1.065","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109146","24.756","0.004","24.756","0.004","24.756","0.004","90","","90","","90","","15172","4","238","","","","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C48 H36 Cd N16 O12 -","- C48 H36 Cd N12 O12 -","- C384 H288 Cd8 N96 O96 -","8","0.166667","","Shinpei Hasegawa; Satoshi Horike; Ryotaro Matsuda; Shuhei Furukawa; Katsunori Mochizuki; Yoshinori Kinoshita; Susumu Kitagawa","Three-Dimensional Porous Coordination Polymer Functionalized with Amide Groups Based on Tridentate Ligand: Selective Sorption and Catalysis","Journal of the American Chemical Society","2007","129","","2607","2614","10.1021/ja067374y","","","0.7107","MoKα","","","0.08","","","","0.216","","","","","","0.904","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109147","11.737","0.0002","17.826","0.0006","22.719","0.0006","90","","91.642","0.002","90","","4751.4","0.2","120","","120","","","","","","","","","3","P 1 c 1","P -2yc","7","","Si3C-bicyclo[1.1.0]butane","","- C37 H86 Si7 -","- C37 H86 Si7 -","- C148 H344 Si28 -","4","2","","Vladimir Ya. Lee; Hiroyuki Yasuda; Akira Sekiguchi","Interplay of EnE'3-nC Valence Isomers (E, E' = Si, Ge): Bicyclo[1.1.0]butanes with Very Short Bridging Bonds and Their Isomerization to Alkyl-Substituted Cyclopropenes","Journal of the American Chemical Society","2007","129","","2436","2437","10.1021/ja068229n","","","0.7107","MoKα","","0.0381","0.037","","","0.1012","0.1024","","","","","","1.083","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109148","13.352","0.003","13.409","0.003","16.143","0.003","85.04","0.03","73.27","0.03","64.51","0.03","2496.1","1.2","100","","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Ge2 H74 Na16 Np2 O109 W18 -","- Ge2 Na16 Np2 O109 W18 -","- Ge2 Na16 Np2 O109 W18 -","1","0.5","","Catherine Talbot-Eeckelaers; Simon J. A. Pope; Amanda J. Hynes; Roy Copping; Chris J. Jones; Robin J. Taylor; Stephen Faulkner; Daniel Sykes; Francis R. Livens; Iain May","Luminescence from Neptunyl(VI) Species in Solution","Journal of the American Chemical Society","2007","129","","2442","2443","10.1021/ja068522n","","","0.71073","MoKα","","0.1291","0.0998","","","0.2391","0.2552","","","","","","1.016","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109149","27.9635","0.001","20.7892","0.0007","15.4264","0.0006","90","","105.65","0.001","90","","8635.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H56 O10 Os3 P2 Pt2 -","- C34 H56 O10 Os3 P2 Pt2 -","- C272 H448 O80 Os24 P16 Pt16 -","8","2","","Richard D. Adams; Burjor Captain; Lei Zhu","Facile Activation of Hydrogen by an Unsaturated Platinum-Osmium Cluster Complex","Journal of the American Chemical Society","2007","129","","2454","2455","10.1021/ja0688272","","","0.71073","MoKα","","0.0589","0.0394","","","0.0854","0.0943","","","","","","1.015","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109150","16.7485","0.0008","15.9787","0.0008","18.2023","0.0009","90","","103.787","0.001","90","","4730.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H63 O10.5 Os3 P2 Pt2 -","- C36 H63 O10.5 Os3 P2 Pt2 -","- C144 H252 O42 Os12 P8 Pt8 -","4","1","","Richard D. Adams; Burjor Captain; Lei Zhu","Facile Activation of Hydrogen by an Unsaturated Platinum-Osmium Cluster Complex","Journal of the American Chemical Society","2007","129","","2454","2455","10.1021/ja0688272","","","0.71073","MoKα","","0.0253","0.0229","","","0.0573","0.0581","","","","","","1.118","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109151","14.0665","0.0004","15.9725","0.0005","18.2569","0.0006","90","","90","","90","","4101.9","0.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H54 O10 Os3 P2 -","- C34 H54 O10 Os3 P2 -","- C136 H216 O40 Os12 P8 -","4","1","","Richard D. Adams; Burjor Captain; Lei Zhu","Facile Activation of Hydrogen by an Unsaturated Platinum-Osmium Cluster Complex","Journal of the American Chemical Society","2007","129","","2454","2455","10.1021/ja0688272","","","0.71073","MoKα","","0.051","0.041","","","0.0936","0.0991","","","","","","1.059","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109152","12.8093","0.0004","20.1356","0.0006","9.2275","0.0003","90","","90","","90","","2379.98","0.13","294","2","294","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C40 H60 O10 Os3 P2 Pt2 -","- C40 H60 O10 Os3 P2 Pt2 -","- C80 H120 O20 Os6 P4 Pt4 -","2","0.5","","Richard D. Adams; Burjor Captain; Lei Zhu","Facile Activation of Hydrogen by an Unsaturated Platinum-Osmium Cluster Complex","Journal of the American Chemical Society","2007","129","","2454","2455","10.1021/ja0688272","","","0.71073","MoKα","","0.0375","0.0304","","","0.0605","0.0636","","","","","","1.033","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109153","20.4591","0.0009","21.318","0.001","36.871","0.002","90","","90","","90","","16081.2","1.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C82 H132 Cu9 F30 N24 O88 S10 -","- C82 H88 Cu9 F30 N24 O88 S10 -","- C328 H352 Cu36 F120 N96 O352 S40 -","4","1","","Donatella Armentano; Teresa F. Mastropietro; Miguel Julve; Rachele Rossi; Patrizia Rossi; Giovanni De Munno","A New Octanuclear Copper(II)-Nucleoside Wheel","Journal of the American Chemical Society","2007","129","","2740","2741","10.1021/ja068201b","","","1.54018","CuKα","","0.0926","0.0789","","","0.211","0.2268","","","","","","0.971","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109154","10.06","0.004","7.049","0.003","10.34","0.004","90","","93.678","0.006","90","","731.7","0.5","273.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 Br O -","- C16 H21 Br O -","- C32 H42 Br2 O2 -","2","1","","Britton K. Corkey; F. Dean Toste","Palladium-Catalyzed Enantioselective Cyclization of Silyloxy-1,6-Enynes","Journal of the American Chemical Society","2007","129","","2764","2765","10.1021/ja068723r","","","0.7107","MoKα","","0.1289","0.0667","","0.1104","","0.0829","","","","","","1.184","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109155","9.94","0.002","19.177","0.004","16","0.003","90","","107.734","0.002","90","","2905","1","153.2","","","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C55 H46 Cl6 F6 O8 P2 Pd S2 -","- C54.8 H46 Cl6 F6 O8 P2 Pd S2 -","- C109.6 H92 Cl12 F12 O16 P4 Pd2 S4 -","2","1","","Britton K. Corkey; F. Dean Toste","Palladium-Catalyzed Enantioselective Cyclization of Silyloxy-1,6-Enynes","Journal of the American Chemical Society","2007","129","","2764","2765","10.1021/ja068723r","","","0.7107","MoKα","","0.0473","0.0344","","0.0394","","0.0373","","","","","","1.431","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109156","12.912","0.0002","23.553","0.0004","15.19","0.0003","90","","107.549","0.001","90","","4404.53","0.14","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H54 Mn3 N3 O12 -","- C42 H54 Mn3 N3 O12 -","- C168 H216 Mn12 N12 O48 -","4","1","","Constantinos J. Milios; Alina Vinslava; Wolfgang Wernsdorfer; Stephen Moggach; Simon Parsons; Spyros P. Perlepes; George Christou; Euan K. Brechin","A Record Anisotropy Barrier for a Single-Molecule Magnet","Journal of the American Chemical Society","2007","129","","2754","2755","10.1021/ja068961m","","","0.71073","MoKα","","0.0927","0.0437","","0.1555","0.1055","0.1555","","","","","","1.0083","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109157","8.168","0.0017","6.5842","0.0014","9.3127","0.0014","90","","116.089","0.013","90","","449.81","0.16","571","2","571","2","","","","","","","","2","P 1 2/c 1","-P 2yc","13","","","","- Np2 O5 -","- Np2 O5 -","- Np8 O20 -","4","1","","Tori Z. Forbes; Peter C. Burns; S. Skanthakumar; L. Soderholm","Synthesis, Structure, and Magnetism of Np2O5","Journal of the American Chemical Society","2007","129","","2760","2761","10.1021/ja069250r","","","0.71073","MoKα","","0.0659","0.0291","","","0.0608","0.0635","","","","","","0.749","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109158","21.62","0.006","21.642","0.006","25.73","0.007","87.146","0.005","67.582","0.005","63.125","0.005","9817","5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H85 N2 O5 S Si8 -","- C42 H85 N2 O5 S Si8 -","- C252 H510 N12 O30 S6 Si48 -","6","3","","Matthew B. Boxer; Hisashi Yamamoto","""Super Silyl"" Group for Diastereoselective Sequential Reactions: Access to Complex Chiral Architecture in One Pot","Journal of the American Chemical Society","2007","129","","2762","2763","10.1021/ja0693542","","","0.71073","MoKα","","0.1816","0.1069","","","0.2754","0.3077","","","","","","0.939","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109159","10.13","0.002","17.035","0.003","27.695","0.007","90","","109.02","0.03","90","","4518.3","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H76 O3 Si8 -","- C31 H76 O3 Si8 -","- C124 H304 O12 Si32 -","4","1","","Matthew B. Boxer; Hisashi Yamamoto","""Super Silyl"" Group for Diastereoselective Sequential Reactions: Access to Complex Chiral Architecture in One Pot","Journal of the American Chemical Society","2007","129","","2762","2763","10.1021/ja0693542","","","0.41328","","","0.0633","0.038","","","0.0859","0.0955","","","","","","1.012","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109160","9.307","0.0019","10.423","0.002","21.794","0.004","84.92","0.03","78.75","0.03","79.41","0.03","2035.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Peptoid cyclo[NpmNme]3","","","- C43 H58 N6 O10 -","- C43 H58 N6 O10 -","- C86 H116 N12 O20 -","2","1","","Shin, Sung Bin Y.; Yoo, Barney; Todaro, Louis J.; Kirshenbaum, Kent","Cyclic Peptoids","Journal of the American Chemical Society","2007","129","11","3218","3225","10.1021/ja066960o","","","0.71073","MoKα","","0.1344","0.0624","","","0.1093","0.1321","","","","","","1.023","","","","has coordinates","209505","2020-10-21","18:00:00",""
"4109161","15.587","0.003","18.811","0.004","20.237","0.004","91.76","0.03","101.95","0.03","106.63","0.03","5537","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H72 N8 O12 -","- C56 H72 N8 O12 -","- C224 H288 N32 O48 -","4","2","","Shin, Sung Bin Y.; Yoo, Barney; Todaro, Louis J.; Kirshenbaum, Kent","Cyclic Peptoids","Journal of the American Chemical Society","2007","129","11","3218","3225","10.1021/ja066960o","","","0.71073","MoKα","","0.085","0.0521","","","0.102","0.1149","","","","","","1.022","","","","has coordinates","209505","2020-10-21","18:00:00",""
"4109162","10.337","0.0003","9.568","0.0002","9.73","0.0002","90","","90","","90","","962.34","0.04","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C8 H18 Zn -","- C8 H18 Zn -","- C32 H72 Zn4 -","4","0.5","","Janusz Lewiński; Maciej Dranka; Wojciech Bury; Witold Śliwiński; Iwona Justyniak; Janusz Lipkowski","From Discrete Linear ZntBu2 Molecules to 1D Coordination Polymers and 2D Fabrics","Journal of the American Chemical Society","2007","129","","3096","3098","10.1021/ja067229k","","","0.71073","MoKα","","0.0299","0.0259","","","0.0695","0.0714","","","","","","1.188","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109163","16.217","0.0011","16.217","0.0011","29.604","0.003","90","","90","","90","","7785.6","1.1","100","2","100","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H30 N2 Zn -","- C20 H30 N2 Zn -","- C320 H480 N32 Zn16 -","16","0.5","","Janusz Lewiński; Maciej Dranka; Wojciech Bury; Witold Śliwiński; Iwona Justyniak; Janusz Lipkowski","From Discrete Linear ZntBu2 Molecules to 1D Coordination Polymers and 2D Fabrics","Journal of the American Chemical Society","2007","129","","3096","3098","10.1021/ja067229k","","","0.71073","MoKα","","0.0704","0.0304","","","0.0687","0.0768","","","","","","0.89","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109164","14.689","0.0006","16.472","0.0006","8.354","0.0012","90","","90","","90","","2021.3","0.3","100","2","100","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C20 H28 N2 Zn -","- C20 H28 N2 Zn -","- C80 H112 N8 Zn4 -","4","0.5","","Janusz Lewiński; Maciej Dranka; Wojciech Bury; Witold Śliwiński; Iwona Justyniak; Janusz Lipkowski","From Discrete Linear ZntBu2 Molecules to 1D Coordination Polymers and 2D Fabrics","Journal of the American Chemical Society","2007","129","","3096","3098","10.1021/ja067229k","","","0.71073","MoKα","","0.0555","0.0288","","","0.064","0.0685","","","","","","0.966","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109165","21.018","0.006","8.137","0.003","18.221","0.004","90","","119.049","0.012","90","","2724.2","1.4","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(4-methoxy-2,6-dimethyl-phenyl)-3,5-dimethyl-pyridin-1-ol","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C128 H152 N8 O16 -","8","1","","Hu Kang; Antonio Facchetti; Hua Jiang; Elena Cariati; Stefania Righetto; Renato Ugo; Cristiano Zuccaccia; Alceo Macchioni; Charlotte L. Stern; Zhifu Liu; Seng-Tiong Ho; Eric C. Brown; Mark A. Ratner; Tobin J. Marks","Ultralarge Hyperpolarizability Twisted π-Electron System Electro-Optic Chromophores: Synthesis, Solid-State and Solution-Phase Structural Characteristics, Electronic Structures, Linear and Nonlinear Optical Properties, and Computational Studies","Journal of the American Chemical Society","2007","129","","3267","3286","10.1021/ja0674690","","","0.71073","MoKα","","0.0653","0.0525","","","0.142","0.1552","","","","","","1.1","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109166","12.834","0.002","17.241","0.003","7.9026","0.0013","90","","100.799","0.011","90","","1717.6","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Methoxy-2,6-dimethyl-phenyl)-1,3,5-trimethyl-pyridiniumiodide","","- C17 H22 I N O -","- C17 H22 I N O -","- C68 H88 I4 N4 O4 -","4","1","","Hu Kang; Antonio Facchetti; Hua Jiang; Elena Cariati; Stefania Righetto; Renato Ugo; Cristiano Zuccaccia; Alceo Macchioni; Charlotte L. Stern; Zhifu Liu; Seng-Tiong Ho; Eric C. Brown; Mark A. Ratner; Tobin J. Marks","Ultralarge Hyperpolarizability Twisted π-Electron System Electro-Optic Chromophores: Synthesis, Solid-State and Solution-Phase Structural Characteristics, Electronic Structures, Linear and Nonlinear Optical Properties, and Computational Studies","Journal of the American Chemical Society","2007","129","","3267","3286","10.1021/ja0674690","","","0.71073","MoKα","","0.0381","0.0288","","","0.0659","0.072","","","","","","1.067","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109167","21.927","0.006","29.244","0.004","8.089","0.002","90","","90","","90","","5187","2","153","2","153","2","","","","","","","","4","F d d 2","F 2 -2d","43","","4-(3,5-dimethyl-pyridin-4-yl)-3,5-dimethyl-phenol","","- C15 H17 N O -","- C15 H17 N O -","- C240 H272 N16 O16 -","16","1","","Hu Kang; Antonio Facchetti; Hua Jiang; Elena Cariati; Stefania Righetto; Renato Ugo; Cristiano Zuccaccia; Alceo Macchioni; Charlotte L. Stern; Zhifu Liu; Seng-Tiong Ho; Eric C. Brown; Mark A. Ratner; Tobin J. Marks","Ultralarge Hyperpolarizability Twisted π-Electron System Electro-Optic Chromophores: Synthesis, Solid-State and Solution-Phase Structural Characteristics, Electronic Structures, Linear and Nonlinear Optical Properties, and Computational Studies","Journal of the American Chemical Society","2007","129","","3267","3286","10.1021/ja0674690","","","0.71073","MoKα","","0.0431","0.0381","","","0.0982","0.1023","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109168","27.251","0.007","11.561","0.0018","11.868","0.003","90","","109.661","0.015","90","","3521","1.4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-Hydroxy-2,6-dimethyl-phenyl)-1,3,5-trimethyl-pyridiniumiodide","","- C16 H22 I N O2 -","- C16 H22 I N O2 -","- C128 H176 I8 N8 O16 -","8","1","","Hu Kang; Antonio Facchetti; Hua Jiang; Elena Cariati; Stefania Righetto; Renato Ugo; Cristiano Zuccaccia; Alceo Macchioni; Charlotte L. Stern; Zhifu Liu; Seng-Tiong Ho; Eric C. Brown; Mark A. Ratner; Tobin J. Marks","Ultralarge Hyperpolarizability Twisted π-Electron System Electro-Optic Chromophores: Synthesis, Solid-State and Solution-Phase Structural Characteristics, Electronic Structures, Linear and Nonlinear Optical Properties, and Computational Studies","Journal of the American Chemical Society","2007","129","","3267","3286","10.1021/ja0674690","","","0.71073","MoKα","","0.0455","0.032","","","0.0756","0.084","","","","","","1.029","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109169","12.235","0.0007","12.985","0.0007","12.7805","0.0007","90","","110.207","0.0008","90","","1905.48","0.18","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3,5-dimethyl-4-(1,3,5-trimethyl-1H-pyridin-4-ylidene)-cyclohexa-2,5-Dienone","","- C17 H23 I N Na O2 -","- C17 H23 I N Na O2 -","- C68 H92 I4 N4 Na4 O8 -","4","1","","Hu Kang; Antonio Facchetti; Hua Jiang; Elena Cariati; Stefania Righetto; Renato Ugo; Cristiano Zuccaccia; Alceo Macchioni; Charlotte L. Stern; Zhifu Liu; Seng-Tiong Ho; Eric C. Brown; Mark A. Ratner; Tobin J. Marks","Ultralarge Hyperpolarizability Twisted π-Electron System Electro-Optic Chromophores: Synthesis, Solid-State and Solution-Phase Structural Characteristics, Electronic Structures, Linear and Nonlinear Optical Properties, and Computational Studies","Journal of the American Chemical Society","2007","129","","3267","3286","10.1021/ja0674690","","","0.71073","MoKα","","0.0275","0.0236","","","0.0605","0.0634","","","","","","1.026","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109170","14.551","0.002","15.697","0.003","18.554","0.003","90","","103.107","0.002","90","","4127.5","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H64 N O4 -","- C42 H55 N O4 -","- C168 H220 N4 O16 -","4","1","","Hu Kang; Antonio Facchetti; Hua Jiang; Elena Cariati; Stefania Righetto; Renato Ugo; Cristiano Zuccaccia; Alceo Macchioni; Charlotte L. Stern; Zhifu Liu; Seng-Tiong Ho; Eric C. Brown; Mark A. Ratner; Tobin J. Marks","Ultralarge Hyperpolarizability Twisted π-Electron System Electro-Optic Chromophores: Synthesis, Solid-State and Solution-Phase Structural Characteristics, Electronic Structures, Linear and Nonlinear Optical Properties, and Computational Studies","Journal of the American Chemical Society","2007","129","","3267","3286","10.1021/ja0674690","","","0.71073","MoKα","","0.0981","0.0788","","","0.2067","0.22","","","","","","1.102","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109171","11.763","0.003","14.137","0.002","23.388","0.005","90","","103.99","0.02","90","","3773.9","1.4","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TMC-1","","","- C20.5 H24 N3 O1.5 -","- C20.5 H24 N3 O1.5 -","- C164 H192 N24 O12 -","8","2","","Hu Kang; Antonio Facchetti; Hua Jiang; Elena Cariati; Stefania Righetto; Renato Ugo; Cristiano Zuccaccia; Alceo Macchioni; Charlotte L. Stern; Zhifu Liu; Seng-Tiong Ho; Eric C. Brown; Mark A. Ratner; Tobin J. Marks","Ultralarge Hyperpolarizability Twisted π-Electron System Electro-Optic Chromophores: Synthesis, Solid-State and Solution-Phase Structural Characteristics, Electronic Structures, Linear and Nonlinear Optical Properties, and Computational Studies","Journal of the American Chemical Society","2007","129","","3267","3286","10.1021/ja0674690","","","0.71073","MoKα","","0.0939","0.0543","","","0.1356","0.1581","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109172","15.6106","0.0016","16.1279","0.0017","19.714","0.002","90","","90","","90","","4963.3","0.9","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","TMC","","","- C28 H37 N3 -","- C28 H36.079 N3 -","- C224 H288.632 N24 -","8","1","","Hu Kang; Antonio Facchetti; Hua Jiang; Elena Cariati; Stefania Righetto; Renato Ugo; Cristiano Zuccaccia; Alceo Macchioni; Charlotte L. Stern; Zhifu Liu; Seng-Tiong Ho; Eric C. Brown; Mark A. Ratner; Tobin J. Marks","Ultralarge Hyperpolarizability Twisted π-Electron System Electro-Optic Chromophores: Synthesis, Solid-State and Solution-Phase Structural Characteristics, Electronic Structures, Linear and Nonlinear Optical Properties, and Computational Studies","Journal of the American Chemical Society","2007","129","","3267","3286","10.1021/ja0674690","","","0.71073","MoKα","","0.1674","0.0865","","","0.2419","0.31","","","","","","1.041","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4109173","20.335","0.003","10.4382","0.0014","13.599","0.0019","90","","122.496","0.003","90","","2434.6","0.6","293","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H34 B10 P2 Pt -","- C18 H34 B10 P2 Pt -","- C72 H136 B40 P8 Pt4 -","4","0.5","","Kelly J. Dalby; David Ellis; Stefan Erhardt; Ruaraidh D. McIntosh; Stuart A. Macgregor; Karen Rae; Georgina M. Rosair; Volker Settels; Alan J. Welch; Bruce E. Hodson; Thomas D. McGrath; F. Gordon A. Stone","The Conformations of 13-Vertex ML~2~C~2~B~10~ Metallacarboranes: Experimental and Computational Studies","Journal of the American Chemical Society","2007","129","","3302","3314","10.1021/ja067698m","","","0.71073","MoKα","","0.0378","0.0253","","","0.0501","0.0523","","","","","","0.923","","","","has coordinates,has disorder","178837","2020-10-21","18:00:00",""
"4109174","13.6694","0.0009","10.5522","0.0007","17.3895","0.0012","90","","100.028","0.003","90","","2470","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 B10 P2 Pt -","- C18 H34 B10 P2 Pt -","- C72 H136 B40 P8 Pt4 -","4","1","","Kelly J. Dalby; David Ellis; Stefan Erhardt; Ruaraidh D. McIntosh; Stuart A. Macgregor; Karen Rae; Georgina M. Rosair; Volker Settels; Alan J. Welch; Bruce E. Hodson; Thomas D. McGrath; F. Gordon A. Stone","The Conformations of 13-Vertex ML~2~C~2~B~10~ Metallacarboranes: Experimental and Computational Studies","Journal of the American Chemical Society","2007","129","","3302","3314","10.1021/ja067698m","","","0.71073","MoKα","","0.0182","0.0156","","","0.039","0.0397","","","","","","1.148","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109175","10.056","0.005","14.692","0.007","17.296","0.013","113.67","0.04","100.35","0.04","98.26","0.03","2235","2","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C46.5 H55 B10 Cl N P2 Rh -","- C46.5 H55 B10 Cl N P2 Rh -","- C93 H110 B20 Cl2 N2 P4 Rh2 -","2","1","","Kelly J. Dalby; David Ellis; Stefan Erhardt; Ruaraidh D. McIntosh; Stuart A. Macgregor; Karen Rae; Georgina M. Rosair; Volker Settels; Alan J. Welch; Bruce E. Hodson; Thomas D. McGrath; F. Gordon A. Stone","The Conformations of 13-Vertex ML~2~C~2~B~10~ Metallacarboranes: Experimental and Computational Studies","Journal of the American Chemical Society","2007","129","","3302","3314","10.1021/ja067698m","","","0.71073","MoKα","","0.0601","0.0439","","","0.1156","0.1199","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109176","9.786","0.002","10.909","0.002","12.179","0.002","78.41","0.03","71.61","0.03","73.43","0.03","1173.7","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 N3 O7 Ti -","- C23 H27 N3 O7 Ti -","- C46 H54 N6 O14 Ti2 -","2","1","","Arthur D. Tinoco; Christopher D. Incarvito; Ann M. Valentine","Calorimetric, Spectroscopic, and Model Studies Provide Insight into the Transport of Ti(IV) by Human Serum Transferrin","Journal of the American Chemical Society","2007","129","","3444","3454","10.1021/ja068149j","","","0.71073","MoKα","","0.0932","0.0494","","","0.1162","0.1326","","","","","","1.004","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109177","38.1126","0.0017","25.3743","0.0011","27.1887","0.0012","90","","90","","90","","26294","2","150","2","150","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C76 H90 Mn5 N O42 Sb12 -","- C75.88 H62.9 Mn5 N O42 Sb12 -","- C607.04 H503.2 Mn40 N8 O336 Sb96 -","8","1","","Viswanathan Baskar; Maheswaran Shanmugam; Madeleine Helliwell; Simon J. Teat; Richard E. P. Winpenny","Reverse-Keggin Ions: Polycondensation of Antimonate Ligands Give Inorganic Cryptand","Journal of the American Chemical Society","2007","129","","3042","3043","10.1021/ja068214p","","","0.6709","synchrotron","","0.0824","0.0613","","","0.1852","0.2058","","","","","","1.083","","","","has coordinates,has disorder","178837","2020-10-21","18:00:00",""
"4109178","19.397","0.004","25.825","0.005","22.624","0.005","90","","101.24","0.03","90","","11116","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83 H84 Mn5 N4 O38 Sb12 -","- C82.88 H73.9 Mn5 N4 O38 Sb12 -","- C331.52 H295.6 Mn20 N16 O152 Sb48 -","4","1","","Viswanathan Baskar; Maheswaran Shanmugam; Madeleine Helliwell; Simon J. Teat; Richard E. P. Winpenny","Reverse-Keggin Ions: Polycondensation of Antimonate Ligands Give Inorganic Cryptand","Journal of the American Chemical Society","2007","129","","3042","3043","10.1021/ja068214p","","","0.71073","MoKα","","0.0812","0.0663","","","0.195","0.2095","","","","","","1.043","","","","has coordinates,has disorder","178837","2020-10-21","18:00:00",""
"4109179","31.874","0.007","17.852","0.004","28.471","0.006","90","","118.117","0.004","90","","14289","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C151 H204.5 N27.5 Na6 O49 Sb16 -","- C100 H86 N2 Na6 O48 Sb16 -","- C400 H344 N8 Na24 O192 Sb64 -","4","0.5","","Viswanathan Baskar; Maheswaran Shanmugam; Madeleine Helliwell; Simon J. Teat; Richard E. P. Winpenny","Reverse-Keggin Ions: Polycondensation of Antimonate Ligands Give Inorganic Cryptand","Journal of the American Chemical Society","2007","129","","3042","3043","10.1021/ja068214p","","","0.71073","MoKα","","0.1378","0.0677","","","0.1646","0.1881","","","","","","0.883","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109180","19.2278","0.0012","21.1616","0.0014","29.4465","0.0019","104.844","0.001","100.519","0.001","96.959","0.001","11207.8","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C157 H163.5 N6.5 Na9 O82.5 Sb24 -","- C157 H139.5 N6.5 Na9 O80.75 Sb24 -","- C314 H279 N13 Na18 O161.5 Sb48 -","2","1","","Viswanathan Baskar; Maheswaran Shanmugam; Madeleine Helliwell; Simon J. Teat; Richard E. P. Winpenny","Reverse-Keggin Ions: Polycondensation of Antimonate Ligands Give Inorganic Cryptand","Journal of the American Chemical Society","2007","129","","3042","3043","10.1021/ja068214p","","","0.71073","MoKα","","0.0972","0.0673","","","0.1648","0.1823","","","","","","1.068","","","","has coordinates,has disorder","286259","2023-09-07","06:04:30",""
"4109181","10.1041","0.0007","15.006","0.0009","10.2928","0.0006","90","","99.521","0.003","90","","1539.12","0.17","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cl N O2 Os -","- C16 H18 Cl N O2 Os -","- C64 H72 Cl4 N4 O8 Os4 -","4","1","","Anna F. A. Peacock; Simon Parsons; Peter J. Sadler","Tuning the Hydrolytic Aqueous Chemistry of Osmium Arene Complexes with N,O-Chelating Ligands to Achieve Cancer Cell Cytotoxicity","Journal of the American Chemical Society","2007","129","","3348","3357","10.1021/ja068335p","","","0.71073","MoKα","","0.0425","0.0333","","0.0873","0.0829","0.0873","","","","","","0.7603","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109182","10.5949","0.0003","13.274","0.0003","12.2343","0.0003","90","","102.031","0.001","90","","1682.8","0.07","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl N O Os -","- C19 H20 Cl N O Os -","- C76 H80 Cl4 N4 O4 Os4 -","4","1","","Anna F. A. Peacock; Simon Parsons; Peter J. Sadler","Tuning the Hydrolytic Aqueous Chemistry of Osmium Arene Complexes with N,O-Chelating Ligands to Achieve Cancer Cell Cytotoxicity","Journal of the American Chemical Society","2007","129","","3348","3357","10.1021/ja068335p","","","0.71073","MoKα","","0.0244","0.0202","","0.0509","0.0493","0.0509","","","","","","0.8769","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109183","19.0626","0.0003","8.4908","0.0001","16.3786","0.0003","90","","90","","90","","2650.99","0.07","150","","150","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H27 F6 N6 O3 Os P -","- C23 H27 F6 N6 O3 Os P -","- C92 H108 F24 N24 O12 Os4 P4 -","4","1","","Anna F. A. Peacock; Simon Parsons; Peter J. Sadler","Tuning the Hydrolytic Aqueous Chemistry of Osmium Arene Complexes with N,O-Chelating Ligands to Achieve Cancer Cell Cytotoxicity","Journal of the American Chemical Society","2007","129","","3348","3357","10.1021/ja068335p","","","0.71073","MoKα","","0.0433","0.0334","","0.0805","0.0779","0.0805","","","","","","0.7572","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109184","12.2879","0.0004","15.9787","0.0005","15.1512","0.0005","90","","98.317","0.002","90","","2943.57","0.17","150","2","150","2","","","","","","","Anna Peacock AFAP63","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 F6 N6 O2.5 Os P -","- C25 H32 F6 N6 O2.5 Os P -","- C100 H128 F24 N24 O10 Os4 P4 -","4","1","","Anna F. A. Peacock; Simon Parsons; Peter J. Sadler","Tuning the Hydrolytic Aqueous Chemistry of Osmium Arene Complexes with N,O-Chelating Ligands to Achieve Cancer Cell Cytotoxicity","Journal of the American Chemical Society","2007","129","","3348","3357","10.1021/ja068335p","","","0.71073","MoKα","","0.0594","0.0444","","","0.1086","0.1118","","","","","","1.114","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4109185","14.449","","17.506","","23.235","","103.57","","100.73","","105.18","","5318.23","","153","2","153","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","C60C6H4CCSiMe3_5_Me","","- C130 H84 Si5 -","- C130 H84 Si5 -","- C260 H168 Si10 -","2","1","","Yu-Wu Zhong; Yutaka Matsuo; Eiichi Nakamura","Lamellar Assembly of Conical Molecules Possessing a Fullerene Apex in Crystals and Liquid Crystals","Journal of the American Chemical Society","2007","129","","3052","3053","10.1021/ja068780k","","x-ray","0.71073","MoKα","","0.2962","0.1777","","","0.4183","0.4836","","","","","","1.304","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109186","18.546","","17.643","","32.427","","90","","100.44","","90","","10434.7","","153","2","153","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","C60(C6H4CCSiMe2Bu)5Me","","- C131 H98 Si5 -","- C131 H98 Si5 -","- C524 H392 Si20 -","4","1","","Yu-Wu Zhong; Yutaka Matsuo; Eiichi Nakamura","Lamellar Assembly of Conical Molecules Possessing a Fullerene Apex in Crystals and Liquid Crystals","Journal of the American Chemical Society","2007","129","","3052","3053","10.1021/ja068780k","","x-ray","0.71073","MoKα","","0.2582","0.182","","","0.4432","0.5014","","","","","","1.598","","","","has coordinates,has disorder","178837","2020-10-21","18:00:00",""
"4109187","14.347","0.0007","6.471","0.0003","76.54","0.003","90","","92.998","0.004","90","","7096.2","0.6","297","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H6 I2 N Ni2 S20 -","- C18 H6 I2 N Ni2 S20 -","- C144 H48 I16 N8 Ni16 S160 -","8","1","","Yosuke Kosaka; Hiroshi M. Yamamoto; Akiko Nakao; Masafumi Tamura; Reizo Kato","Coexistence of Conducting and Magnetic Electrons Based on Molecular π-Electrons in the Supramolecular Conductor (Me-3,5-DIP)[Ni(dmit)2]2","Journal of the American Chemical Society","2007","129","","3054","3055","10.1021/ja0687825","","","0.7107","MoKα","","","0.0635","","","","0.1857","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109188","7.7032","0.0005","8.2335","0.0005","20.6614","0.0013","90","","90","","90","","1310.43","0.14","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-methyl-1-phenyl-7-vinyl-8-oxabicyclo[3.2.1]octane","","- C16 H20 O -","- C16 H20 O -","- C64 H80 O4 -","4","1","","Feng Peng; Dennis G. Hall","Simple, Stable, and Versatile Double-Allylation Reagents for the Stereoselective Preparation of Skeletally Diverse Compounds","Journal of the American Chemical Society","2007","129","","3070","3071","10.1021/ja068985t","","","0.71073","MoKα","","0.0359","0.0321","","","0.0786","0.0812","","","","","","1.084","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109189","11.45","0.0004","16.02","0.0005","20.61","0.0007","84.88","0.0019","80.9","0.002","82.22","0.002","3689.6","0.2","100","2","100","2","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C89 H97 B6 Ir2 -","- C83 H82 B6 Ir2 -","- C166 H164 B12 Ir4 -","2","1","","Frédéric de Montigny; Ramón Macias; Bruce C. Noll; Thomas P. Fehlner; Karine Costuas; Jean-Yves Saillard; Jean-François Halet","Metallaborane Reactivity. A Stoichiometric Mechanism for the Insertion of Two Alkynes into an Iridaborane Framework via a Disposable Molybdenum Chaperone","Journal of the American Chemical Society","2007","129","","3392","3401","10.1021/ja068999z","","x-ray","0.71073","MoKα","","0.063","0.0394","","","0.0863","0.0945","","","","","","0.981","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109190","13.834","0.0017","15.171","0.002","18.296","0.003","108.04","0.016","101.599","0.016","108.211","0.015","3274.2","1.1","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H74 Fe P2 Pt S6 -","- C72 H63 Fe P2 Pt S6.524 -","- C144 H126 Fe2 P4 Pt2 S13.048 -","2","1","","Fan Zhang; Peter Bäuerle","A Controlled Approach to Well-Defined Oligothiophenes via Oxidatively Induced Reductive Elimination of Stable Pt(II) Oligothienyl Complexes","Journal of the American Chemical Society","2007","129","","3090","3091","10.1021/ja070083k","","","0.71073","MoKα","","0.1073","0.0536","","","0.1077","0.1224","","","","","","0.81","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109191","10.3506","0.0012","16.2481","0.0018","12.9422","0.0015","90","","107.794","0.002","90","","2072.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","06276","","","- C24 H31 N3 O4 -","- C24 H31 N3 O4 -","- C96 H124 N12 O16 -","4","1","","Barry M. Trost; Nicolai Cramer; Heiko Bernsmann","Concise Total Synthesis of (\±)-Marcfortine B","Journal of the American Chemical Society","2007","129","","3086","3087","10.1021/ja070142u","","","0.71073","MoKα","","0.0777","0.0458","","","0.1081","0.1282","","","","","","1.007","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109192","13.1473","0.0012","14.4545","0.0014","20.3119","0.0019","90","","103.38","0.002","90","","3755.3","0.6","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H48 N2 O10 Pd2 -","- C36 H48 N2 O10 Pd2 -","- C144 H192 N8 O40 Pd8 -","4","0.5","","Qingwei Yao; Mark Zabawa; Joyce Woo; Chong Zheng","Carbocyclic Carbene Ligands Derived from Aromatic Nitrones: Formation and Catalytic Activity of Their Pd(II) Complexes","Journal of the American Chemical Society","2007","129","","3088","3089","10.1021/ja0701659","","","0.71073","MoKα","","0.0313","0.0302","","","0.0628","0.0632","","","","","","1.413","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109193","9.439","0.0019","14.839","0.003","18.608","0.004","90","","90","","90","","2606.3","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C112 H160 N16 O16 -","8","1","","Luke D. Elliott; Malcolm Berry; Andrew J. Orr-Ewing; Kevin I. Booker-Milburn","The Intramolecular Photometathesis of Pyrroles","Journal of the American Chemical Society","2007","129","","3078","3079","10.1021/ja070254l","","","0.71073","MoKα","","0.0868","0.0545","","","0.1116","0.1249","","","","","","1.021","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109194","12.6256","0.0017","17.061","0.002","17.386","0.002","90","","90","","90","","3745","0.8","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N3 Pt -","- C24 H19 N3 Pt -","- C192 H152 N24 Pt8 -","8","1","","Shu-Bin Zhao; Rui-Yao Wang; Suning Wang","Intramolecular C-H Activation Directed Self-Assembly of an Organoplatinum(II) Molecular Square","Journal of the American Chemical Society","2007","129","","3092","3093","10.1021/ja0702770","","","0.71073","MoKα","","0.0383","0.0309","","","0.0821","0.0898","","","","","","1","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109195","7.3661","0.0009","10.071","0.0012","10.636","0.0012","113.216","0.001","96.995","0.001","92.997","0.001","715.37","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N4 Pt -","- C15 H14 N4 Pt -","- C30 H28 N8 Pt2 -","2","1","","Shu-Bin Zhao; Rui-Yao Wang; Suning Wang","Intramolecular C-H Activation Directed Self-Assembly of an Organoplatinum(II) Molecular Square","Journal of the American Chemical Society","2007","129","","3092","3093","10.1021/ja0702770","","","0.71073","MoKα","","0.0241","0.0213","","","0.0514","0.0526","","","","","","1","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109196","9.862","0.004","13.404","0.005","24.203","0.009","76.366","0.006","86.246","0.007","70.238","0.007","2926","2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H56 N12 Pt4 -","- C64 H56 N12 Pt4 -","- C128 H112 N24 Pt8 -","2","1","","Shu-Bin Zhao; Rui-Yao Wang; Suning Wang","Intramolecular C-H Activation Directed Self-Assembly of an Organoplatinum(II) Molecular Square","Journal of the American Chemical Society","2007","129","","3092","3093","10.1021/ja0702770","","","0.71073","MoKα","","0.1191","0.0443","","","0.0508","0.0654","","","","","","0.639","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109197","27.932","0.006","11.207","0.002","15.052","0.003","90","","111.8","0.03","90","","4374.8","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 I Si2 -","- C21 H25 I Si2 -","- C168 H200 I8 Si16 -","8","1","","Chao Wang; Qian Luo; Hui Sun; Xiangyu Guo; Zhenfeng Xi","Lithio Siloles: Facile Synthesis and Applications","Journal of the American Chemical Society","2007","129","","3094","3095","10.1021/ja070404s","","","0.71073","MoKα","","0.053","0.0401","","","0.0935","0.0968","","","","","","1.013","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109198","10.2225","0.0006","11.5987","0.0007","12.5588","0.0006","83.651","0.002","74.953","0.002","75.664","0.002","1391.53","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H38 Br6 O4 P2 Re6 S6 -","- C36 H30 Br6 O4 P2 Re6 S6 -","- C36 H30 Br6 O4 P2 Re6 S6 -","1","0.5","","Michael A. Shestopalov; Yuri V. Mironov; Konstantin A. Brylev; Svetlana G. Kozlova; Vladimir E. Fedorov; Hartmut Spies; Hans-Jürgen Pietzsch; Holger Stephan; Gerhard Geipel; Gerd Bernhard","Cluster Core Controlled Reactions of Substitution of Terminal Bromide Ligands by Triphenylphosphine in Octahedral Rhenium Chalcobromide Complexes","Journal of the American Chemical Society","2007","129","","3714","3721","10.1021/ja0668062","","x-ray","0.71073","MoKα","","0.0833","0.0537","","","0.1625","0.1764","","","","","","1.043","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109199","12.4001","0.0003","16.1927","0.0004","19.1937","0.0005","90","","101.78","0.001","90","","3772.76","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 Br2 P4 Re6 S8 -","- C72 H60 Br2 P4 Re6 S8 -","- C144 H120 Br4 P8 Re12 S16 -","2","0.5","","Michael A. Shestopalov; Yuri V. Mironov; Konstantin A. Brylev; Svetlana G. Kozlova; Vladimir E. Fedorov; Hartmut Spies; Hans-Jürgen Pietzsch; Holger Stephan; Gerhard Geipel; Gerd Bernhard","Cluster Core Controlled Reactions of Substitution of Terminal Bromide Ligands by Triphenylphosphine in Octahedral Rhenium Chalcobromide Complexes","Journal of the American Chemical Society","2007","129","","3714","3721","10.1021/ja0668062","","x-ray","0.71073","MoKα","","0.0438","0.0303","","","0.0747","0.079","","","","","","1.097","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109200","12.3444","0.0002","16.2377","0.0004","19.5427","0.0004","90","","102.103","0.001","90","","3830.16","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 Br2 P4 Re6 Se8 -","- C72 H60 Br2 P4 Re6 Se8 -","- C144 H120 Br4 P8 Re12 Se16 -","2","0.5","","Michael A. Shestopalov; Yuri V. Mironov; Konstantin A. Brylev; Svetlana G. Kozlova; Vladimir E. Fedorov; Hartmut Spies; Hans-Jürgen Pietzsch; Holger Stephan; Gerhard Geipel; Gerd Bernhard","Cluster Core Controlled Reactions of Substitution of Terminal Bromide Ligands by Triphenylphosphine in Octahedral Rhenium Chalcobromide Complexes","Journal of the American Chemical Society","2007","129","","3714","3721","10.1021/ja0668062","","x-ray","0.71073","MoKα","","0.0503","0.0321","","","0.0744","0.0798","","","","","","1.071","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109201","11.6455","0.0003","14.8271","0.0004","20.1655","0.0005","76.738","0.001","74.951","0.001","67.853","0.001","3080.6","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H45 Br4 P3 Re6 S7 -","- C54 H45 Br4 P3 Re6 S7 -","- C108 H90 Br8 P6 Re12 S14 -","2","1","","Michael A. Shestopalov; Yuri V. Mironov; Konstantin A. Brylev; Svetlana G. Kozlova; Vladimir E. Fedorov; Hartmut Spies; Hans-Jürgen Pietzsch; Holger Stephan; Gerhard Geipel; Gerd Bernhard","Cluster Core Controlled Reactions of Substitution of Terminal Bromide Ligands by Triphenylphosphine in Octahedral Rhenium Chalcobromide Complexes","Journal of the American Chemical Society","2007","129","","3714","3721","10.1021/ja0668062","","x-ray","0.71073","MoKα","","0.0471","0.0313","","","0.0885","0.0947","","","","","","1.08","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109202","11.6642","0.0016","14.88","0.002","20.446","0.004","77.159","0.005","75.012","0.004","67.931","0.005","3145.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H45 Br4 P3 Re6 Se7 -","- C54 H45 Br4 P3 Re6 Se7 -","- C108 H90 Br8 P6 Re12 Se14 -","2","1","","Michael A. Shestopalov; Yuri V. Mironov; Konstantin A. Brylev; Svetlana G. Kozlova; Vladimir E. Fedorov; Hartmut Spies; Hans-Jürgen Pietzsch; Holger Stephan; Gerhard Geipel; Gerd Bernhard","Cluster Core Controlled Reactions of Substitution of Terminal Bromide Ligands by Triphenylphosphine in Octahedral Rhenium Chalcobromide Complexes","Journal of the American Chemical Society","2007","129","","3714","3721","10.1021/ja0668062","","x-ray","0.71073","MoKα","","0.0601","0.0341","","","0.0927","0.1025","","","","","","0.913","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109203","10.302","0.002","20.292","0.004","12.108","0.002","90","","105.38","0.03","90","","2440.5","0.9","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H30 Br6 P2 Re6 S6 -","- C36 H30 Br6 P2 Re6 S6 -","- C72 H60 Br12 P4 Re12 S12 -","2","0.5","","Michael A. Shestopalov; Yuri V. Mironov; Konstantin A. Brylev; Svetlana G. Kozlova; Vladimir E. Fedorov; Hartmut Spies; Hans-Jürgen Pietzsch; Holger Stephan; Gerhard Geipel; Gerd Bernhard","Cluster Core Controlled Reactions of Substitution of Terminal Bromide Ligands by Triphenylphosphine in Octahedral Rhenium Chalcobromide Complexes","Journal of the American Chemical Society","2007","129","","3714","3721","10.1021/ja0668062","","","0.71073","MoKα","","0.2121","0.07","","","0.1575","0.1934","","","","","","0.789","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109204","16.408","0.0005","11.501","0.0005","17.164","0.0006","90","","107.08","0.002","90","","3096.1","0.2","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SMK001","SMK001","","- C34 H48 N2 Pt -","- C34 H48 N2 Pt -","- C136 H192 N8 Pt4 -","4","1","","Susan M. Kloek; Karen I. Goldberg","Competitive C-H Bond Activation and β-Hydride Elimination at Platinum(II)","Journal of the American Chemical Society","2007","129","","3460","3461","10.1021/ja0669629","","","0.71073","MoKα","","0.1044","0.0422","","","0.0667","0.0794","","","","","","0.938","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109205","15.137","0.0007","9.235","0.0002","23.225","0.001","90","","91.05","0.0014","90","","3246.1","0.2","130","2","130","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","SMK002","SMK002","","- C38 H46 N2 Pt -","- C38 H46 N2 Pt -","- C152 H184 N8 Pt4 -","4","1","","Susan M. Kloek; Karen I. Goldberg","Competitive C-H Bond Activation and β-Hydride Elimination at Platinum(II)","Journal of the American Chemical Society","2007","129","","3460","3461","10.1021/ja0669629","","","0.71073","MoKα","","0.0932","0.0432","","","0.0873","0.096","","","","","","0.997","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109206","8.7819","0.0004","13.9862","0.0006","11.0182","0.0006","90","","128.476","0.002","90","","1059.47","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 F2 N O Xe -","- C2 H3 F2 N O Xe -","- C16 H24 F16 N8 O8 Xe8 -","8","2","","David S. Brock; Vural Bilir; Hélène P. A. Mercier; Gary J. Schrobilgen","XeOF2, F2OXeN\τbCCH3, and XeOF2.nHF: Rare Examples of Xe(IV) Oxide Fluorides","Journal of the American Chemical Society","2007","129","","3598","3611","10.1021/ja0673480","","","0.71073","MoKα","","0.0428","0.0299","","","0.0642","0.0675","","","","","","1.4","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109207","18.452","0.006","18.452","0.006","44.933","0.006","90","0.011","90","0.011","120","0.011","13249","7","573","2","573","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C288 H144 O156 Zn48 -","12","0.333333","","Jasmina Hafizovic; Morten Bjørgen; Unni Olsbye; Pascal D. C. Dietzel; Silvia Bordiga; Carmelo Prestipino; Carlo Lamberti; Karl Petter Lillerud","The Inconsistency in Adsorption Properties and Powder XRD Data of MOF-5 Is Rationalized by Framework Interpenetration and the Presence of Organic and Inorganic Species in the Nanocavities","Journal of the American Chemical Society","2007","129","","3612","3620","10.1021/ja0675447","","","0.38745","Synchrotron","","0.0685","0.0374","","","0.0898","0.1201","","","","","","1.163","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109208","18.382","0.012","18.382","0.012","44.97","0.02","90","","90","","120","","13159","13","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C288 H144 O156 Zn48 -","12","0.333333","","Jasmina Hafizovic; Morten Bjørgen; Unni Olsbye; Pascal D. C. Dietzel; Silvia Bordiga; Carmelo Prestipino; Carlo Lamberti; Karl Petter Lillerud","The Inconsistency in Adsorption Properties and Powder XRD Data of MOF-5 Is Rationalized by Framework Interpenetration and the Presence of Organic and Inorganic Species in the Nanocavities","Journal of the American Chemical Society","2007","129","","3612","3620","10.1021/ja0675447","","","0.38745","Synchrotron","","0.0634","0.0575","","","0.1343","0.1421","","","","","","1.089","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109209","18.406","0.003","18.406","0.003","44.75","0.009","90","","90","","120","","13129","4","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C144 H72 O78 Zn24 -","6","0.166667","","Jasmina Hafizovic; Morten Bjørgen; Unni Olsbye; Pascal D. C. Dietzel; Silvia Bordiga; Carmelo Prestipino; Carlo Lamberti; Karl Petter Lillerud","The Inconsistency in Adsorption Properties and Powder XRD Data of MOF-5 Is Rationalized by Framework Interpenetration and the Presence of Organic and Inorganic Species in the Nanocavities","Journal of the American Chemical Society","2007","129","","3612","3620","10.1021/ja0675447","","","0.71073","MoKα","","0.11","0.0823","","","0.224","0.2401","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109210","16.6883","0.0009","17.6585","0.0009","24.283","0.0013","90","","90","","90","","7156","0.7","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H36 Cl Fe3 N2 O23 -","- C22 H28 Cl Fe3 N2 O23 -","- C176 H224 Cl8 Fe24 N16 O184 -","8","1","","Sabbani Supriya; Samar K. Das","Reversible Single Crystal to Single Crystal Transformation through Fe-O(H)Me/Fe-OH2 Bond Formation/Bond Breaking in a Gas-Solid Reaction at an Ambient Condition","Journal of the American Chemical Society","2007","129","","3464","3465","10.1021/ja067572p","","","0.71073","MoKα","","0.0629","0.0443","","","0.1181","0.1253","","","","","","0.962","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109211","17.0064","0.0012","17.4079","0.0012","23.9382","0.0017","90","","90","","90","","7086.8","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H38 Cl Fe3 N2 O23 -","- C23 H31 Cl Fe3 N2 O23 -","- C184 H248 Cl8 Fe24 N16 O184 -","8","1","","Sabbani Supriya; Samar K. Das","Reversible Single Crystal to Single Crystal Transformation through Fe-O(H)Me/Fe-OH2 Bond Formation/Bond Breaking in a Gas-Solid Reaction at an Ambient Condition","Journal of the American Chemical Society","2007","129","","3464","3465","10.1021/ja067572p","","","0.71073","MoKα","","0.0765","0.0481","","","0.1199","0.1449","","","","","","1.084","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109212","16.6966","0.001","17.6462","0.0011","24.2991","0.0015","90","","90","","90","","7159.3","0.8","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H36 Cl Fe3 N2 O23 -","- C22 H28 Cl Fe3 N2 O23 -","- C176 H224 Cl8 Fe24 N16 O184 -","8","1","","Sabbani Supriya; Samar K. Das","Reversible Single Crystal to Single Crystal Transformation through Fe-O(H)Me/Fe-OH2 Bond Formation/Bond Breaking in a Gas-Solid Reaction at an Ambient Condition","Journal of the American Chemical Society","2007","129","","3464","3465","10.1021/ja067572p","","","0.71073","MoKα","","0.1276","0.0575","","","0.1374","0.1771","","","","","","1.057","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109213","11.216","0.004","12.711","0.006","14.318","0.005","95.62","0.03","106.15","0.03","91.1","0.03","1949","1.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H42 B9 Cl Os P2 -","- C38 H42 B9 Cl Os P2 -","- C76 H84 B18 Cl2 Os2 P4 -","2","1","","Elena V. Balagurova; Dmitri N. Cheredilin; Galina D. Kolomnikova; Oleg L. Tok; Fedor M. Dolgushin; Alexander I. Yanovsky; Igor T. Chizhevsky","Stable exo-nido-Metallacarboranes (M = OsIV) that Incorporatemeta-Carborane-Based Dicarbollide Ligands","Journal of the American Chemical Society","2007","129","","3745","3753","10.1021/ja067838s","","","0.71073","MoKα","","0.0623","0.0391","","","0.086","0.0908","","","","","","1.02","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4109214","12.819","0.003","12.963","0.003","13.787","0.003","75.405","0.016","62.997","0.015","69.875","0.016","1904","0.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H43 B9 Os P2 -","- C38 H43 B9 Os P2 -","- C76 H86 B18 Os2 P4 -","2","1","","Elena V. Balagurova; Dmitri N. Cheredilin; Galina D. Kolomnikova; Oleg L. Tok; Fedor M. Dolgushin; Alexander I. Yanovsky; Igor T. Chizhevsky","Stable exo-nido-Metallacarboranes (M = OsIV) that Incorporatemeta-Carborane-Based Dicarbollide Ligands","Journal of the American Chemical Society","2007","129","","3745","3753","10.1021/ja067838s","","","0.71073","MoKα","","0.116","0.0589","","","0.0795","0.0865","","","","","","1.065","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4109215","9.5182","0.0009","10.1237","0.001","19.7856","0.0019","80.437","0.002","78.666","0.002","80.784","0.002","1827.3","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H43 B9 Os P2 -","- C38 H43 B9 Os P2 -","- C76 H86 B18 Os2 P4 -","2","1","","Elena V. Balagurova; Dmitri N. Cheredilin; Galina D. Kolomnikova; Oleg L. Tok; Fedor M. Dolgushin; Alexander I. Yanovsky; Igor T. Chizhevsky","Stable exo-nido-Metallacarboranes (M = OsIV) that Incorporatemeta-Carborane-Based Dicarbollide Ligands","Journal of the American Chemical Society","2007","129","","3745","3753","10.1021/ja067838s","","","0.71073","MoKα","","0.0729","0.0585","","","0.1162","0.1194","","","","","","0.887","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4109216","23.268","0.003","23.268","0.003","10.831","0.002","90","","90","","120","","5078.3","1.3","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C38 H31 N3 O4 Pd -","- C38 H31 N3 O4 Pd -","- C228 H186 N18 O24 Pd6 -","6","1","","Vadim A. Soloshonok; Hisanori Ueki; Jason L. Moore; Trevor K. Ellis","Design and Synthesis of Molecules with Switchable Chirality via Formation and Cleavage of Metal-Ligand Coordination Bonds","Journal of the American Chemical Society","2007","129","","3512","3513","10.1021/ja067995r","","","0.71073","MoKα","","0.0465","0.045","","","0.1294","0.1304","","","","","","1.092","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109217","8.594","0.002","13.463","0.003","15.7","0.004","85.732","0.003","78.608","0.003","80.402","0.003","1754.2","0.7","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H37 N3 Ni O6 -","- C41 H37 N3 Ni O6 -","- C82 H74 N6 Ni2 O12 -","2","1","","Vadim A. Soloshonok; Hisanori Ueki; Jason L. Moore; Trevor K. Ellis","Design and Synthesis of Molecules with Switchable Chirality via Formation and Cleavage of Metal-Ligand Coordination Bonds","Journal of the American Chemical Society","2007","129","","3512","3513","10.1021/ja067995r","","","0.71073","MoKα","","0.123","0.0872","","","0.2481","0.2779","","","","","","1.006","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109218","7.9498","0.001","23.927","0.003","15.737","0.002","90","","101.628","0.005","90","","2932","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 N3 O4 Pd -","- C37 H29 N3 O4 Pd -","- C148 H116 N12 O16 Pd4 -","4","1","","Vadim A. Soloshonok; Hisanori Ueki; Jason L. Moore; Trevor K. Ellis","Design and Synthesis of Molecules with Switchable Chirality via Formation and Cleavage of Metal-Ligand Coordination Bonds","Journal of the American Chemical Society","2007","129","","3512","3513","10.1021/ja067995r","","","0.71073","MoKα","","0.0419","0.0293","","","0.0661","0.071","","","","","","1.001","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109219","9.7132","0.0006","12.2015","0.0007","17.9219","0.001","90","","90","","90","","2124","0.2","128","2","128","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Cl N2 O6 -","- C18 H25 Cl N2 O6 -","- C72 H100 Cl4 N8 O24 -","4","1","","Anand Singh; Ryan A. Yoder; Bo Shen; Jeffrey N. Johnston","Chiral Proton Catalysis: Enantioselective Brønsted Acid Catalyzed Additions of Nitroacetic Acid Derivatives as Glycine Equivalents","Journal of the American Chemical Society","2007","129","","3466","3467","10.1021/ja068073r","","","0.71073","MoKα","","0.0692","0.0461","","","0.0938","0.1033","","","","","","0.847","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109220","11.8206","0.0002","12.8609","0.0003","14.8464","0.0004","73.701","0.001","88.331","0.001","64.804","0.001","1949.55","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H36 N4 O6 U -","- C46 H36 N4 O6 U -","- C92 H72 N8 O12 U2 -","2","1","","Massimo Cametti; Maija Nissinen; Antonella Dalla Cort; Luigi Mandolini; Kari Rissanen","Ion Pair Recognition of Quaternary Ammonium and Iminium Salts by Uranyl-Salophen Compounds in Solution and in the Solid State","Journal of the American Chemical Society","2007","129","","3641","3648","10.1021/ja068561z","","","0.71069","MoKα","","0.0441","0.0356","","","0.0776","0.0814","","","","","","1.065","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109221","35.56","0.001","9.6555","0.0003","24.1012","0.0008","90","","112.397","0.002","90","","7650.9","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound X","","","- C42 H37 Br N4 O6 U -","- C42 H37 Br N4 O6 U -","- C336 H296 Br8 N32 O48 U8 -","8","1","","Massimo Cametti; Maija Nissinen; Antonella Dalla Cort; Luigi Mandolini; Kari Rissanen","Ion Pair Recognition of Quaternary Ammonium and Iminium Salts by Uranyl-Salophen Compounds in Solution and in the Solid State","Journal of the American Chemical Society","2007","129","","3641","3648","10.1021/ja068561z","","","0.71069","MoKα","","0.1126","0.0729","","","0.1458","0.1606","","","","","","1.143","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109222","12.3021","0.0001","16.8778","0.0002","26.4855","0.0003","72.561","0.0004","84.5141","0.0006","75.4356","0.0006","5076.67","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Compound X","","","- C106 H104 Cl2 N10 O16 U2 -","- C106 H104 Cl2 N10 O16 U2 -","- C212 H208 Cl4 N20 O32 U4 -","2","1","","Massimo Cametti; Maija Nissinen; Antonella Dalla Cort; Luigi Mandolini; Kari Rissanen","Ion Pair Recognition of Quaternary Ammonium and Iminium Salts by Uranyl-Salophen Compounds in Solution and in the Solid State","Journal of the American Chemical Society","2007","129","","3641","3648","10.1021/ja068561z","","","0.71073","MoKα","","0.0641","0.0467","","","0.1053","0.1137","","","","","","1.052","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109223","54.1597","0.0007","54.16","","33.1332","0.0002","90","","90","","120","","84168.4","1.2","173","2","173","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C198.33 H194.5 Cl5.33 N17.83 O24 U4 -","- C198.333 H194.49 Cl5.33333 N17.8333 O24 U4 -","- C3570 H3500.82 Cl96 N321 O432 U72 -","18","1","","Massimo Cametti; Maija Nissinen; Antonella Dalla Cort; Luigi Mandolini; Kari Rissanen","Ion Pair Recognition of Quaternary Ammonium and Iminium Salts by Uranyl-Salophen Compounds in Solution and in the Solid State","Journal of the American Chemical Society","2007","129","","3641","3648","10.1021/ja068561z","","","0.71073","MoKα","","0.0657","0.0451","","","0.0857","0.0951","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109224","22.5983","0.0005","22.5983","0.0005","25.7313","0.0005","90","","90","","120","","11380","0.4","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","Compound X","","","- C24.67 H27 Cl N3.33 O4 U -","- C24.6667 H26.99 Cl N3.33333 O4 U -","- C444 H485.82 Cl18 N60 O72 U18 -","18","1","","Massimo Cametti; Maija Nissinen; Antonella Dalla Cort; Luigi Mandolini; Kari Rissanen","Ion Pair Recognition of Quaternary Ammonium and Iminium Salts by Uranyl-Salophen Compounds in Solution and in the Solid State","Journal of the American Chemical Society","2007","129","","3641","3648","10.1021/ja068561z","","","0.71073","MoKα","","0.0637","0.0499","","","0.0931","0.0969","","","","","","1.276","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109225","11.5313","0.0007","16.3368","0.0009","13.0762","0.0008","90","","96.958","0.001","90","","2445.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","9-ally adenine AgNO3 salt at pH 8.3","","","- C16 H21 Ag2 N13 O6 -","- C16 H21 Ag2 N13 O6 -","- C64 H84 Ag8 N52 O24 -","4","1","","Chandra Shekhar Purohit; Sandeep Verma","Patterned Deposition of a Mixed-Coordination Adenine-Silver Helicate, Containing a π-Stacked Metallacycle, on a Graphite Surface","Journal of the American Chemical Society","2007","129","","3488","3489","10.1021/ja068892b","","","0.71073","MoKα","","0.0678","0.0481","","","0.1094","0.1668","","","","","","1.181","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109226","10.621","0.005","6.786","0.003","11.033","0.005","90","","105.688","0.008","90","","765.6","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 O2 -","- C16 H26 O2 -","- C32 H52 O4 -","2","0.5","","Sergiy V. Rosokha; Jay K. Kochi","Continuum of Outer- and Inner-Sphere Mechanisms for Organic Electron Transfer. Steric Modulation of the Precursor Complex in Paramagnetic (Ion-Radical) Self-Exchanges","Journal of the American Chemical Society","2007","129","","3683","3697","10.1021/ja069149m","","","0.71073","MoKα","","0.1172","0.0618","","","0.1474","0.1796","","","","","","0.979","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109227","9.466","0.004","9.92","0.004","10.639","0.005","106.772","0.009","106.409","0.008","95.298","0.009","901","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H62 B11 O2 -","- C29 H62 B11 O2 -","- C29 H62 B11 O2 -","1","0.5","","Sergiy V. Rosokha; Jay K. Kochi","Continuum of Outer- and Inner-Sphere Mechanisms for Organic Electron Transfer. Steric Modulation of the Precursor Complex in Paramagnetic (Ion-Radical) Self-Exchanges","Journal of the American Chemical Society","2007","129","","3683","3697","10.1021/ja069149m","","","0.71073","MoKα","","0.1122","0.0709","","","0.1749","0.1955","","","","","","1.231","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109228","13.1118","0.0015","16.378","0.002","18.01","0.002","99.396","0.002","110.047","0.003","102.147","0.003","3433.2","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","[(benzo-15-crown-5)2 K] (DDQ)3, (CH2Cl2)x","Bis(benzo-15-crown-5) potassium dichlorodicyanobenzoquinonide, dichloromethane solvate","","- C56 H48 Cl14 K N6 O16 -","- C56 H48 Cl14 K N6 O16 -","- C112 H96 Cl28 K2 N12 O32 -","2","1","","Sergiy V. Rosokha; Jay K. Kochi","Continuum of Outer- and Inner-Sphere Mechanisms for Organic Electron Transfer. Steric Modulation of the Precursor Complex in Paramagnetic (Ion-Radical) Self-Exchanges","Journal of the American Chemical Society","2007","129","","3683","3697","10.1021/ja069149m","","","0.71073","MoKα","","0.1217","0.0692","","","0.1857","0.2073","","","","","","0.986","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109229","9.142","0.008","9.238","0.005","10.094","0.007","74.14","0.03","66.7","0.03","87.18","0.03","751.5","1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H50 B11 O2 -","- C23 H50 B11 O2 -","- C23 H50 B11 O2 -","1","0.5","","Sergiy V. Rosokha; Jay K. Kochi","Continuum of Outer- and Inner-Sphere Mechanisms for Organic Electron Transfer. Steric Modulation of the Precursor Complex in Paramagnetic (Ion-Radical) Self-Exchanges","Journal of the American Chemical Society","2007","129","","3683","3697","10.1021/ja069149m","","","0.71073","MoKα","","0.1389","0.0708","","","0.1478","0.1779","","","","","","0.981","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109230","17.87","0.02","25.24","0.05","10.08","0.02","90","","90","","90","","4546","14","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Dibutyl-N-propyl-PHTZ","2,7-Di-tert-butyl-N-isopropyl-phenothiazine","","- C23 H31 N S -","- C23 H31 N S -","- C184 H248 N8 S8 -","8","1","","Sergiy V. Rosokha; Jay K. Kochi","Continuum of Outer- and Inner-Sphere Mechanisms for Organic Electron Transfer. Steric Modulation of the Precursor Complex in Paramagnetic (Ion-Radical) Self-Exchanges","Journal of the American Chemical Society","2007","129","","3683","3697","10.1021/ja069149m","","","0.71073","MoKα","","0.1521","0.069","","","0.2121","0.2404","","","","","","0.947","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109231","13.88","0.03","12.98","0.03","27.59","0.04","90","","101.11","0.07","90","","4878","17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H75 B11 N S -","- C43 H75 B11 N S -","- C172 H300 B44 N4 S4 -","4","1","","Sergiy V. Rosokha; Jay K. Kochi","Continuum of Outer- and Inner-Sphere Mechanisms for Organic Electron Transfer. Steric Modulation of the Precursor Complex in Paramagnetic (Ion-Radical) Self-Exchanges","Journal of the American Chemical Society","2007","129","","3683","3697","10.1021/ja069149m","","","0.71073","MoKα","","0.151","0.0594","","","0.1338","0.1555","","","","","","0.829","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109232","9.1694","0.0012","19.703","0.003","17.61","0.003","90","","100.382","0.013","90","","3129.4","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","PhTZ Car * H2O","Phenothiazolium dodecamethylcarboranate hydrate","","- C25 H47 B11 N O S -","- C25 H47 B11 N O S -","- C100 H188 B44 N4 O4 S4 -","4","1","","Sergiy V. Rosokha; Jay K. Kochi","Continuum of Outer- and Inner-Sphere Mechanisms for Organic Electron Transfer. Steric Modulation of the Precursor Complex in Paramagnetic (Ion-Radical) Self-Exchanges","Journal of the American Chemical Society","2007","129","","3683","3697","10.1021/ja069149m","","","0.71073","MoKα","","0.0819","0.062","","","0.1823","0.1974","","","","","","0.881","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109233","19.334","0.007","9.643","0.004","13.568","0.005","90","","90.29","0.008","90","","2529.6","1.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H32 Cl6 N2 Sb -","- C18 H32 Cl6 N2 Sb -","- C72 H128 Cl24 N8 Sb4 -","4","0.5","","Sergiy V. Rosokha; Jay K. Kochi","Continuum of Outer- and Inner-Sphere Mechanisms for Organic Electron Transfer. Steric Modulation of the Precursor Complex in Paramagnetic (Ion-Radical) Self-Exchanges","Journal of the American Chemical Society","2007","129","","3683","3697","10.1021/ja069149m","","","0.71073","MoKα","","0.1728","0.0677","","","0.1402","0.1757","","","","","","0.932","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109234","20.338","0.002","7.5857","0.0008","12.0204","0.0013","90","","98.046","0.002","90","","1836.2","0.3","243","2","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 I O3 Si -","- C15 H27 I O3 Si -","- C60 H108 I4 O12 Si4 -","4","1","","Mingji Dai; Samuel J. Danishefsky","The Total Synthesis of Spirotenuipesines A and B","Journal of the American Chemical Society","2007","129","","3498","3499","10.1021/ja069164r","","","0.71073","MoKα","","0.0822","0.0416","","","0.0993","0.124","","","","","","1.078","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109235","10.5","0.002","10.555","0.002","13.766","0.003","68.292","0.004","82.567","0.004","77.468","0.003","1381.7","0.5","243","2","243","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H22 O4 -","- C14.999 H22 O4 -","- C59.996 H88 O16 -","4","2","","Mingji Dai; Samuel J. Danishefsky","The Total Synthesis of Spirotenuipesines A and B","Journal of the American Chemical Society","2007","129","","3498","3499","10.1021/ja069164r","","","0.71073","MoKα","","0.1674","0.0723","","","0.1622","0.2054","","","","","","1.02","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109236","24.044","0.008","14.343","0.004","16.688","0.005","90","","100.552","0.004","90","","5658","3","243.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H63 Fe2 N21 Ni3 O6 -","- C30 H51 Fe2 N21 Ni3 O6 -","- C120 H204 Fe8 N84 Ni12 O24 -","4","0.5","","Nobuhiro Yanai; Wakako Kaneko; Ko Yoneda; Masaaki Ohba; Susumu Kitagawa","Reversible Water-Induced Magnetic and Structural Conversion of a Flexible Microporous Ni(II)Fe(III) Ferromagnet","Journal of the American Chemical Society","2007","129","","3496","3497","10.1021/ja069166b","","","0.7107","MoKα","","","0.063","","","","0.205","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109237","10.977","0.0003","13.1258","0.0004","16.0022","0.0005","78.884","0.001","74.41","0.001","73.186","0.001","2109.24","0.11","223","2","223","2","","","","","","","","6","P -1","-P 1","2","bis-phenyl dirhodium caprolactamate","Bis-phenyl di-rhodium(III) tetra-caprolactamate","","- C38 H54 Cl4 N4 O4 Rh2 -","- C38 H54 Cl4 N4 O4 Rh2 -","- C76 H108 Cl8 N8 O8 Rh4 -","2","1","","Jason M. Nichols; Joffrey Wolf; Peter Zavalij; Bindhu Varughese; Michael P. Doyle","Bis(phenyl)dirhodium(III) Caprolactamate: A Dinuclear Paddlewheel Complex with No Metal-Metal Bond","Journal of the American Chemical Society","2007","129","","3504","3505","10.1021/ja070122s","","","0.71073","MoKα","","0.0361","0.03","","","0.0661","0.0687","","","","","","1","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109238","9.371","0.0008","15.8919","0.0013","23.994","0.002","90","","97.408","0.002","90","","3543.4","0.5","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dirhodium caprolactamate acetonitrile","Di-rhodium(II) tetra-caprolactamate tetra-acetonitrile","","- C32 H52 N8 O4 Rh2 -","- C32 H52 N8 O4 Rh2 -","- C128 H208 N32 O16 Rh8 -","4","1","","Jason M. Nichols; Joffrey Wolf; Peter Zavalij; Bindhu Varughese; Michael P. Doyle","Bis(phenyl)dirhodium(III) Caprolactamate: A Dinuclear Paddlewheel Complex with No Metal-Metal Bond","Journal of the American Chemical Society","2007","129","","3504","3505","10.1021/ja070122s","","","0.71073","MoKα","","0.0594","0.0429","","","0.0875","0.0923","","","","","","1","","","","has coordinates,has disorder","212012","2020-10-21","18:00:00",""
"4109239","24.663","0.004","7.1764","0.0013","21.213","0.004","90","","121.245","0.003","90","","3210","1","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","dirhodium caprolactamate hydrate triflate","Di-rhodium(II/III) tetra-caprolactamate dihydrate triflate","","- C25 H44 F3 N4 O9 Rh2 S -","- C25 H44 F3 N4 O9 Rh2 S -","- C100 H176 F12 N16 O36 Rh8 S4 -","4","0.5","","Jason M. Nichols; Joffrey Wolf; Peter Zavalij; Bindhu Varughese; Michael P. Doyle","Bis(phenyl)dirhodium(III) Caprolactamate: A Dinuclear Paddlewheel Complex with No Metal-Metal Bond","Journal of the American Chemical Society","2007","129","","3504","3505","10.1021/ja070122s","","","0.71073","MoKα","","0.0478","0.0372","","","0.077","0.0796","","","","","","1","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109240","5.5767","0.0013","8.914","0.002","33.679","0.008","90","","90","","90","","1674.2","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O2 -","- C19 H17 Br O2 -","- C76 H68 Br4 O8 -","4","1","","Pei-Chen Chiang; Juthanat Kaeobamrung; Jeffrey W. Bode","Enantioselective, Cyclopentene-Forming Annulations via NHC-Catalyzed Benzoin-Oxy-Cope Reactions","Journal of the American Chemical Society","2007","129","","3520","3521","10.1021/ja0705543","","","0.71073","MoKα","","0.1713","0.0632","","","0.1297","0.1758","","","","","","1.207","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109241","9.371","0.0008","15.8919","0.0013","23.994","0.002","90","","97.408","0.002","90","","3543.4","0.5","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dirhodium caprolactamate acetonitrile","Di-rhodium tetra-caprolactamate tetra-acetonitrile","","- C32 H52 N8 O4 Rh2 -","- C32 H52 N8 O4 Rh2 -","- C128 H208 N32 O16 Rh8 -","4","1","","Jason M. Nichols; Joffrey Wolf; Peter Zavalij; Bindhu Varughese; Michael P. Doyle","Bis(phenyl)dirhodium(III) Caprolactamate: A Dinuclear Paddlewheel Complex with No Metal-Metal Bond","Journal of the American Chemical Society","2007","129","","3504","3505","10.1021/ja070122s","","","","","","","","","","","","","","","","","","","4109238","","has coordinates,has disorder","215354","2020-10-21","18:00:00",""
"4109242","11.3726","0.0017","12.3542","0.0015","14.5292","0.0018","71.271","0.006","67.97","0.008","75.177","0.006","1770.7","0.4","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H45 O Ti -","- C45 H45 O Ti -","- C90 H90 O2 Ti2 -","2","1","","Thomas A. Manz; Khamphee Phomphrai; Grigori Medvedev; Balachandra B. Krishnamurthy; Shalini Sharma; Jesmin Haq; Krista A. Novstrup; Kendall T. Thomson; W. Nicholas Delgass; James M. Caruthers; Mahdi M. Abu-Omar","Structure-Activity Correlation in Titanium Single-Site Olefin Polymerization Catalysts Containing Mixed Cyclopentadienyl/Aryloxide Ligation","Journal of the American Chemical Society","2007","129","","3776","3777","10.1021/ja0640849","","","0.71073","MO-Kα","","0.118","0.052","","","0.114","0.142","","","","","","0.902","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109243","10.475","0.002","22.938","0.005","9.1934","0.0018","90","","113.49","0.03","90","","2025.9","0.8","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C84 H92 N4 O16 S4 -","4","2","","Jennifer M. Schomaker; Andrea R. Geiser; Rui Huang; Babak Borhan","Tetrasubstituted Pyrrolidines via a Tandem Aza-Payne/Hydroamination Reaction","Journal of the American Chemical Society","2007","129","","3794","3795","10.1021/ja068077w","","","0.71073","MoKα","","0.0496","0.0339","","","0.0998","0.1116","","","","","","0.812","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109244","10.54","0.002","16.113","0.003","24.914","0.005","90","","90","","90","","4231.2","1.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H25 N O4 S -","- C22 H25 N O4 S -","- C176 H200 N8 O32 S8 -","8","1","","Jennifer M. Schomaker; Andrea R. Geiser; Rui Huang; Babak Borhan","Tetrasubstituted Pyrrolidines via a Tandem Aza-Payne/Hydroamination Reaction","Journal of the American Chemical Society","2007","129","","3794","3795","10.1021/ja068077w","","","0.71073","MoKα","","0.1078","0.0535","","","0.1317","0.1589","","","","","","0.954","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109245","11.9369","0.0005","14.9994","0.0005","18.276","0.0008","89.172","0.003","86.881","0.003","87.947","0.003","3265.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H57 B F24 N2 Pt -","- C69 H57 B F24 N2 Pt -","- C138 H114 B2 F48 N4 Pt2 -","2","1","","Masashi Shiotsuki; Peter S. White; Maurice Brookhart; Joseph L. Templeton","Mechanistic Studies of Platinum(II)-Catalyzed Ethylene Dimerization: Determination of Barriers to Migratory Insertion in Diimine Pt(II) Hydrido Ethylene and Ethyl Ethylene Intermediates","Journal of the American Chemical Society","2007","129","","4058","4067","10.1021/ja068118o","","","0.71073","MoKα","","0.0844","0.0528","","","0.1284","0.1473","","","","","","0.972","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109246","10.133","0.002","8.577","0.0017","10.561","0.002","90","","110.95","0.03","90","","857.2","0.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H17 Cl F N O S -","- C18 H17 Cl F N O S -","- C36 H34 Cl2 F2 N2 O2 S2 -","2","1","","Qi-Xiang Guo; Hua Liu; Chang Guo; Shi-Wei Luo; Yi Gu; Liu-Zhu Gong","Chiral Brønsted Acid-Catalyzed Direct Asymmetric Mannich Reaction","Journal of the American Chemical Society","2007","129","","3790","3791","10.1021/ja068236b","","","0.71073","MoKα","","0.0404","0.0349","","","0.0822","0.0877","","","","","","1.107","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109247","6.9796","0.001","30.805","0.004","10.517","0.0014","90","","107.714","0.001","90","","2154","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 N6 Na2 O9 Ru -","- C14 H8 N6 Na2 O7 Ru -","- C56 H32 N24 Na8 O28 Ru4 -","4","1","","Theodore Lazarides; Timothy L. Easun; Claire Veyne-Marti; Wassim Z. Alsindi; Michael W. George; Nina Deppermann; Christopher A. Hunter; Harry Adams; Michael D. Ward","Structural and Photophysical Properties of Adducts of [Ru(bipy)(CN)4]2- with Different Metal Cations: Metallochromism and Its Use in Switching Photoinduced Energy Transfer","Journal of the American Chemical Society","2007","129","","4014","4027","10.1021/ja068436n","","","0.71073","MoKα","","0.0473","0.0408","","","0.1175","0.1245","","","","","","0.732","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109248","8.526","0.0008","8.7736","0.0008","13.8864","0.0014","104.58","0.004","95.632","0.004","103.688","0.004","962.92","0.16","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Cs2 N6 O2 Ru -","- C14 H12 Cs2 N6 O2 Ru -","- C28 H24 Cs4 N12 O4 Ru2 -","2","1","","Theodore Lazarides; Timothy L. Easun; Claire Veyne-Marti; Wassim Z. Alsindi; Michael W. George; Nina Deppermann; Christopher A. Hunter; Harry Adams; Michael D. Ward","Structural and Photophysical Properties of Adducts of [Ru(bipy)(CN)4]2- with Different Metal Cations: Metallochromism and Its Use in Switching Photoinduced Energy Transfer","Journal of the American Chemical Society","2007","129","","4014","4027","10.1021/ja068436n","","","0.71073","MoKα","","0.0205","0.0194","","","0.0449","0.0456","","","","","","1.066","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109249","7.537","0.0008","9.9846","0.0011","13.435","0.002","103.383","0.007","94.459","0.007","106.479","0.005","932","0.2","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 K2 N6 O3 Ru -","- C14 H14 K2 N6 O3 Ru -","- C28 H28 K4 N12 O6 Ru2 -","2","1","","Theodore Lazarides; Timothy L. Easun; Claire Veyne-Marti; Wassim Z. Alsindi; Michael W. George; Nina Deppermann; Christopher A. Hunter; Harry Adams; Michael D. Ward","Structural and Photophysical Properties of Adducts of [Ru(bipy)(CN)4]2- with Different Metal Cations: Metallochromism and Its Use in Switching Photoinduced Energy Transfer","Journal of the American Chemical Society","2007","129","","4014","4027","10.1021/ja068436n","","","0.71073","MoKα","","0.0233","0.0225","","","0.0629","0.0638","","","","","","1.059","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109250","6.8534","0.0011","10.6185","0.0017","14.069","0.002","85.509","0.007","77.865","0.006","83.595","0.006","993.1","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 Ba N6 O6 Ru -","- C14 H20 Ba N6 O6 Ru -","- C28 H40 Ba2 N12 O12 Ru2 -","2","1","","Theodore Lazarides; Timothy L. Easun; Claire Veyne-Marti; Wassim Z. Alsindi; Michael W. George; Nina Deppermann; Christopher A. Hunter; Harry Adams; Michael D. Ward","Structural and Photophysical Properties of Adducts of [Ru(bipy)(CN)4]2- with Different Metal Cations: Metallochromism and Its Use in Switching Photoinduced Energy Transfer","Journal of the American Chemical Society","2007","129","","4014","4027","10.1021/ja068436n","","","0.71073","MoKα","","0.0181","0.018","","","0.0464","0.0466","","","","","","1.153","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109251","7.8843","0.0009","14.8087","0.0017","18.078","0.003","111.702","0.006","100.355","0.006","96.102","0.004","1894.4","0.5","100","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H16 K Li N6 O4 Ru -","- C14 H16 K Li N6 O4 Ru -","- C56 H64 K4 Li4 N24 O16 Ru4 -","4","2","","Theodore Lazarides; Timothy L. Easun; Claire Veyne-Marti; Wassim Z. Alsindi; Michael W. George; Nina Deppermann; Christopher A. Hunter; Harry Adams; Michael D. Ward","Structural and Photophysical Properties of Adducts of [Ru(bipy)(CN)4]2- with Different Metal Cations: Metallochromism and Its Use in Switching Photoinduced Energy Transfer","Journal of the American Chemical Society","2007","129","","4014","4027","10.1021/ja068436n","","","0.71073","MoKα","","0.0259","0.0247","","","0.0653","0.0665","","","","","","1.033","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109252","6.8956","0.0006","14.5781","0.0012","10.5162","0.0009","90","","103.531","0.004","90","","1027.8","0.15","123","2","123","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C14 H20 Li2 N6 O6 Ru -","- C14 H20 Li2 N6 O6 Ru -","- C28 H40 Li4 N12 O12 Ru2 -","2","0.5","","Theodore Lazarides; Timothy L. Easun; Claire Veyne-Marti; Wassim Z. Alsindi; Michael W. George; Nina Deppermann; Christopher A. Hunter; Harry Adams; Michael D. Ward","Structural and Photophysical Properties of Adducts of [Ru(bipy)(CN)4]2- with Different Metal Cations: Metallochromism and Its Use in Switching Photoinduced Energy Transfer","Journal of the American Chemical Society","2007","129","","4014","4027","10.1021/ja068436n","","","0.71073","MoKα","","0.0221","0.0207","","","0.0557","0.0571","","","","","","1.101","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109253","8.023","0.0016","15.755","0.003","9.998","0.002","90","","96.71","0.03","90","","1255.1","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H26 O10 -","- C32 H26 O10 -","- C64 H52 O20 -","2","1","","K. C. Nicolaou; Yee Hwee Lim; Jared L. Piper; Charles D. Papageorgiou","Total Syntheses of 2,2'-epi-Cytoskyrin A, Rugulosin, and the Alleged Structure of Rugulin","Journal of the American Chemical Society","2007","129","","4001","4013","10.1021/ja0685708","","","0.71073","MoKα","","0.054","0.0515","","","0.1314","0.1336","","","","","","1.11","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109254","13.272","0.003","10.921","0.002","17.837","0.004","90","","103.66","0.03","90","","2512.2","1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 O10 -","- C32 H26 O10 -","- C128 H104 O40 -","4","1","","K. C. Nicolaou; Yee Hwee Lim; Jared L. Piper; Charles D. Papageorgiou","Total Syntheses of 2,2'-epi-Cytoskyrin A, Rugulosin, and the Alleged Structure of Rugulin","Journal of the American Chemical Society","2007","129","","4001","4013","10.1021/ja0685708","","","0.71073","MoKα","","0.1066","0.0541","","","0.1225","0.1461","","","","","","1.018","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109255","9.3701","0.0019","20.283","0.004","14.007","0.003","90","","108.28","0.03","90","","2527.7","1","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 O10 -","- C32 H26 O10 -","- C128 H104 O40 -","4","0.5","","K. C. Nicolaou; Yee Hwee Lim; Jared L. Piper; Charles D. Papageorgiou","Total Syntheses of 2,2'-epi-Cytoskyrin A, Rugulosin, and the Alleged Structure of Rugulin","Journal of the American Chemical Society","2007","129","","4001","4013","10.1021/ja0685708","","","0.71073","MoKα","","0.1874","0.0808","","","0.1611","0.2145","","","","","","0.993","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109256","11.628","0.002","13.227","0.003","12.373","0.003","90","","115.55","0.03","90","","1716.9","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H43 N O13 -","- C36 H37 N O13 -","- C72 H74 N2 O26 -","2","1","","K. C. Nicolaou; Yee Hwee Lim; Jared L. Piper; Charles D. Papageorgiou","Total Syntheses of 2,2'-epi-Cytoskyrin A, Rugulosin, and the Alleged Structure of Rugulin","Journal of the American Chemical Society","2007","129","","4001","4013","10.1021/ja0685708","","","0.71073","MoKα","","0.1102","0.0708","","","0.1419","0.1597","","","","","","1.041","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109257","10.56","0.002","17.366","0.004","22.721","0.005","90","","92.79","0.03","90","","4161.8","1.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32.5 H25 O10.17 -","- C32.5 H25 O10.1667 -","- C195 H150 O61 -","6","3","","K. C. Nicolaou; Yee Hwee Lim; Jared L. Piper; Charles D. Papageorgiou","Total Syntheses of 2,2'-epi-Cytoskyrin A, Rugulosin, and the Alleged Structure of Rugulin","Journal of the American Chemical Society","2007","129","","4001","4013","10.1021/ja0685708","","","0.71073","MoKα","","0.1463","0.0779","","","0.1497","0.1765","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109258","10.869","0.005","9.944","0.004","22.199","0.01","90","","90.303","0.007","90","","2399.3","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Boc-Ac6c-Gpn-OMe","","","- C22 H38 N2 O5 -","- C22 H38 N2 O5 -","- C88 H152 N8 O20 -","4","1","","Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin","Journal of the American Chemical Society","2007","129","","4039","4048","10.1021/ja068910p","","","0.71073","MoKα","","0.0687","0.049","","","0.13","0.1458","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109259","18.445","0.007","9.743","0.004","12.405","0.005","90","","98.965","0.007","90","","2202.1","1.5","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","Boc-Ac6c-Gpn-OH","","","- C21 H36 N2 O5 -","- C21 H36 N2 O5 -","- C84 H144 N8 O20 -","4","2","","Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin","Journal of the American Chemical Society","2007","129","","4039","4048","10.1021/ja068910p","","","0.71073","MoKα","","0.0753","0.0699","","","0.169","0.1734","","","","","","1.128","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109260","9.4184","0.0008","23.1859","0.0019","15.4165","0.0013","90","","90.805","0.005","90","","3366.2","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Ala-Aib-Gpn-Aib-Ala-OMe","","","- C29 H51 N5 O8 -","- C29 H51 N5 O8 -","- C116 H204 N20 O32 -","4","2","","Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin","Journal of the American Chemical Society","2007","129","","4039","4048","10.1021/ja068910p","","","0.71073","MoKα","","0.1201","0.0855","","","0.1844","0.2","","","","","","1.124","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109261","9.14","0.006","15.953","0.01","22.952","0.015","90","","90","","90","","3347","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-betaPhe-Gpn-Phe-OMe","","","- C34 H47 N3 O6 -","- C34 H47 N3 O6 -","- C136 H188 N12 O24 -","4","1","","Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin","Journal of the American Chemical Society","2007","129","","4039","4048","10.1021/ja068910p","","","0.71073","MoKα","","0.0807","0.0541","","","0.1145","0.1251","","","","","","1.154","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109262","11.0742","0.0004","11.0742","0.0004","25.464","0.002","90","","90","","90","","3122.9","0.3","293","2","293","2","","","","","","","","4","P 41","P 4w","76","Boc-betaLeu-Gpn-Val-OMe","","","- C27 H49 N3 O6 -","- C27 H49 N3 O6 -","- C108 H196 N12 O24 -","4","1","","Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin","Journal of the American Chemical Society","2007","129","","4039","4048","10.1021/ja068910p","","","0.71073","MoKα","","0.0968","0.0855","","","0.1916","0.1982","","","","","","1.239","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109263","15.814","0.002","22.153","0.003","9.57","0.0014","90","","90","","90","","3352.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Gpn-betaPhe-Leu-OMe","","","- C31 H49 N3 O6 -","- C31 H49 N3 O6 -","- C124 H196 N12 O24 -","4","1","","Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin","Journal of the American Chemical Society","2007","129","","4039","4048","10.1021/ja068910p","","","0.71073","MoKα","","0.1473","0.0786","","","0.2016","0.2372","","","","","","1.123","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109264","19.7622","0.0019","20.478","0.002","16.3811","0.0016","90","","90","","90","","6629.3","1.1","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","Boc-Gpn-Gpn-Leu-OMe","","","- C30 H53 N3 O6.5 -","- C30 H53 N3 O6.5 -","- C240 H424 N24 O52 -","8","1","","Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin","Journal of the American Chemical Society","2007","129","","4039","4048","10.1021/ja068910p","","","0.71073","MoKα","","0.1088","0.0804","","","0.1858","0.2021","","","","","","1.179","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109265","30.027","0.004","12.1823","0.0018","20.453","0.003","90","","109.256","0.002","90","","7063.1","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Boc-Gpn-Aib-Gpn-Aib-OMe","","","- C32 H56 N4 O7 -","- C32 H56 N4 O7 -","- C256 H448 N32 O56 -","8","1","","Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin","Journal of the American Chemical Society","2007","129","","4039","4048","10.1021/ja068910p","","","0.71073","MoKα","","0.0887","0.0694","","","0.2053","0.2177","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109266","9.846","0.007","10.339","0.007","10.806","0.007","90","","110.974","0.01","90","","1027.1","1.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Gpn-Aib-OH","","","- C18 H32 N2 O5 -","- C18 H32 N2 O5 -","- C36 H64 N4 O10 -","2","1","","Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin","Journal of the American Chemical Society","2007","129","","4039","4048","10.1021/ja068910p","","","0.71073","MoKα","","0.0413","0.0387","","","0.1006","0.1023","","","","","","1.119","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109267","6.712","0.003","15.323","0.007","26.306","0.012","90","","90","","90","","2706","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Piv-Pro-Gpn-Val-OMe","","","- C25 H43 N3 O5 -","- C25 H43 N3 O5 -","- C100 H172 N12 O20 -","4","1","","Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin","Journal of the American Chemical Society","2007","129","","4039","4048","10.1021/ja068910p","","","0.71073","MoKα","","0.0646","0.0557","","","0.1344","0.1396","","","","","","1.157","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109268","9.3516","0.0008","13.5541","0.0012","24.864","0.002","90","","90","","90","","3151.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Aib-Gpn-betaPhg-NHMe","","","- C28 H46 N4 O6 -","- C28 H46 N4 O6 -","- C112 H184 N16 O24 -","4","1","","Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin","Journal of the American Chemical Society","2007","129","","4039","4048","10.1021/ja068910p","","","0.71073","MoKα","","0.0598","0.051","","","0.1293","0.1355","","","","","","1.113","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109269","6.813","0.004","7.416","0.004","14.072","0.008","81.121","0.009","76.345","0.008","83.5","0.009","680.4","0.7","293","2","293","2","","","","","","","","4","P 1","P 1","1","Boc-Val-Pro-Gpn-OH","","","- C24 H41 N3 O7 -","- C24 H41 N3 O7 -","- C24 H41 N3 O7 -","1","1","","Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin","Journal of the American Chemical Society","2007","129","","4039","4048","10.1021/ja068910p","","","0.71073","MoKα","","0.0528","0.0514","","","0.1398","0.1416","","","","","","1.101","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109270","4.6184","0.0017","17.418","0.006","7.178","0.003","90","","90","","90","","577.4","0.4","120","2","120","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Cd Sb2 Yb2 -","- Cd Sb2 Yb2 -","- Cd4 Sb8 Yb8 -","4","0.5","","Sheng-qing Xia; Svilen Bobev","Cation-Anion Interactions as Structure Directing Factors: Structure and Bonding of Ca2CdSb2 and Yb2CdSb2","Journal of the American Chemical Society","2007","129","","4049","4057","10.1021/ja069261k","","","0.71073","MoKα","","0.0216","0.0216","","","0.0463","0.0463","","","","","","1.111","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109271","7.2536","0.0013","4.603","0.0008","17.521","0.003","90","","90","","90","","585","0.18","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca2 Cd Sb2 -","- Ca2 Cd Sb2 -","- Ca8 Cd4 Sb8 -","4","0.5","","Sheng-qing Xia; Svilen Bobev","Cation-Anion Interactions as Structure Directing Factors: Structure and Bonding of Ca2CdSb2 and Yb2CdSb2","Journal of the American Chemical Society","2007","129","","4049","4057","10.1021/ja069261k","","","0.71073","MoKα","","0.0237","0.0222","","","0.0571","0.0578","","","","","","1.199","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109272","12.444","0.011","7.067","0.006","23.49","0.02","90","","97.447","0.015","90","","2048","3","443","2","443","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 N8 O6 -","- C46 H48 N8 O6 -","- C92 H96 N16 O12 -","2","0.5","","Ha Na Lee; Zhaochao Xu; Sook Kyung Kim; K. M. K. Swamy; Youngmee Kim; Sung-Jin Kim; Juyoung Yoon","Pyrophosphate-Selective Fluorescent Chemosensor at Physiological pH: Formation of a Unique Excimer upon Addition of Pyrophosphate","Journal of the American Chemical Society","2007","129","","3828","3829","10.1021/ja0700294","","","0.71073","MoKα","","0.0951","0.0634","","","0.1674","0.1894","","","","","","1.041","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109273","11.199","0.003","13.974","0.003","18.51","0.004","90.295","0.006","105.525","0.006","101.093","0.006","2734","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H62 N10 O8 -","- C60 H62 N10 O8 -","- C120 H124 N20 O16 -","2","1","","Guzmán Gil-Ramírez; Jordi Benet-Buchholz; Eduardo C. Escudero-Adán; Pablo Ballester","Solid-State Self-Assembly of a Calix[4]pyrrole-Resorcinarene Hybrid into a Hexameric Cage","Journal of the American Chemical Society","2007","129","","3820","3821","10.1021/ja070037k","","","0.71073","MoKα","","0.1595","0.087","","","0.2321","0.277","","","","","","1.045","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109274","16.0984","0.0019","16.0984","0.0019","20.223","0.005","90","","90","","90","","5241","1.6","100","2","100","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C56 H62 Cl N7 O8 -","- C56.04 H62.12 Cl N7 O8 -","- C224.16 H248.48 Cl4 N28 O32 -","4","0.25","","Guzmán Gil-Ramírez; Jordi Benet-Buchholz; Eduardo C. Escudero-Adán; Pablo Ballester","Solid-State Self-Assembly of a Calix[4]pyrrole-Resorcinarene Hybrid into a Hexameric Cage","Journal of the American Chemical Society","2007","129","","3820","3821","10.1021/ja070037k","","","0.71073","MoKα","","0.1486","0.1344","","","0.3453","0.3678","","","","","","1.198","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109275","21.8372","0.0018","21.8372","0.0018","69.813","0.011","90","","90","","120","","28831","6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C61.33 H87 Cl3.33 N7.33 O9.83 -","- C61.3333 H87 Cl3.33333 N7.33333 O9.83333 -","- C1104 H1566 Cl60 N132 O177 -","18","1","","Guzmán Gil-Ramírez; Jordi Benet-Buchholz; Eduardo C. Escudero-Adán; Pablo Ballester","Solid-State Self-Assembly of a Calix[4]pyrrole-Resorcinarene Hybrid into a Hexameric Cage","Journal of the American Chemical Society","2007","129","","3820","3821","10.1021/ja070037k","","","0.71073","MoKα","","0.1043","0.0719","","","0.2098","0.2524","","","","","","1.049","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109276","11.6193","0.0007","15.4796","0.0009","16.0015","0.0009","90","","103.608","0.001","90","","2797.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cl2 Ni P2 -","- C30 H30 Cl2 Ni P2 -","- C120 H120 Cl8 Ni4 P8 -","4","1","","Azusa Kondoh; Hideki Yorimitsu; Koichiro Oshima","Copper-Catalyzed anti-Hydrophosphination Reaction of 1-Alkynylphosphines with Diphenylphosphine Providing (Z)-1,2-Diphosphino-1-alkenes","Journal of the American Chemical Society","2007","129","","4099","4104","10.1021/ja070048d","","","0.71073","MoKα","","0.0388","0.0342","","","0.1016","0.1074","","","","","","0.682","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109277","9.7113","0.0006","10.07","0.0006","11.5182","0.0007","110.21","0.001","92.947","0.001","112.21","0.001","956.91","0.1","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 Br O4 -","- C20 H19 Br O4 -","- C40 H38 Br2 O8 -","2","1","","Margaret M. Biddle; Michael Lin; Karl A. Scheidt","Catalytic Enantioselective Synthesis of Flavanones and Chromanones","Journal of the American Chemical Society","2007","129","","3830","3831","10.1021/ja070394v","","","0.71073","MoKα","","0.0408","0.037","","","0.0997","0.1018","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109278","12.3573","0.0014","13.9491","0.0012","25.209","0.003","90","","99.277","0.005","90","","4288.5","0.8","90","","90","","","","","","","","local laboratory","3","P 1 21/n 1","-P 2yn","14","","","","- C67 H36 O2 -","- C67 H36 O2 -","- C268 H144 O8 -","4","1","","Andrzej Sygula; Frank R. Fronczek; Renata Sygula; Peter W. Rabideau; Marilyn M. Olmstead","A Double Concave Hydrocarbon Buckycatcher","Journal of the American Chemical Society","2007","129","","3842","3843","10.1021/ja070616p","","","0.71073","MoKα","","0.074","0.05","","","0.12","0.134","","","","","","1.017","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109279","9.773","0.0015","22.253","0.003","17.334","0.003","90","","98.202","0.007","90","","3731.2","1","100","","100","","","","","","","","local laboratory","2","P 1 21/m 1","-P 2yb","11","","","","- C134 H44 -","- C134 H44 -","- C268 H88 -","2","0.5","","Andrzej Sygula; Frank R. Fronczek; Renata Sygula; Peter W. Rabideau; Marilyn M. Olmstead","A Double Concave Hydrocarbon Buckycatcher","Journal of the American Chemical Society","2007","129","","3842","3843","10.1021/ja070616p","","","0.71073","MoKα","","0.098","0.066","","","0.157","0.178","","","","","","1.022","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109280","11.9924","0.0001","13.5197","0.0002","25.1994","0.0004","91.149","0.001","91.8","0.001","98.34","0.001","4039.22","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H102 Cl5 Fe2 N5 O7 -","- C82 H102 Cl5 Fe2 N5 O7 -","- C164 H204 Cl10 Fe4 N10 O14 -","2","1","","Katharina Dürr; Brendan P. Macpherson; Ralf Warratz; Frank Hampel; Felix Tuczek; Matthias Helmreich; Norbert Jux; Ivana Ivanović-Burmazović","Iron(III) Complex of a Crown Ether-Porphyrin Conjugate and Reversible Binding of Superoxide to Its Iron(II) Form","Journal of the American Chemical Society","2007","129","","4217","4228","10.1021/ja064984p","","","0.71073","MoKα","","0.1069","0.0753","","","0.217","0.2429","","","","","","1.038","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109281","6.735","0.0013","14.265","0.003","19.583","0.004","90","","90","","90","","1881.4","0.7","253","2","253","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H16 Au N -","- C25 H16 Au N -","- C100 H64 Au4 N4 -","4","1","","Keith Man-Chung Wong; Ling-Ling Hung; Wai Han Lam; Nianyong Zhu; Vivian Wing-Wah Yam","A Class of Luminescent Cyclometalated Alkynylgold(III) Complexes: Synthesis, Characterization, and Electrochemical, Photophysical, and Computational Studies of [Au(C^N^C)(C\τbCR)] (C^N^C = κ3C,N,C Bis-cyclometalated 2,6-Diphenylpyridyl)","Journal of the American Chemical Society","2007","129","","4350","4365","10.1021/ja068264u","","","0.71069","MoKα","","0.0339","0.0262","","","0.0555","0.0569","","","","","","0.925","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109282","7.459","0.0015","9.641","0.0019","14.086","0.003","106.07","0.03","97.74","0.03","94.98","0.03","956.3","0.4","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15 Au Cl N -","- C25 H15 Au Cl N -","- C50 H30 Au2 Cl2 N2 -","2","1","","Keith Man-Chung Wong; Ling-Ling Hung; Wai Han Lam; Nianyong Zhu; Vivian Wing-Wah Yam","A Class of Luminescent Cyclometalated Alkynylgold(III) Complexes: Synthesis, Characterization, and Electrochemical, Photophysical, and Computational Studies of [Au(C^N^C)(C\τbCR)] (C^N^C = κ3C,N,C Bis-cyclometalated 2,6-Diphenylpyridyl)","Journal of the American Chemical Society","2007","129","","4350","4365","10.1021/ja068264u","","","0.71073","MoKα","","0.0425","0.0386","","","0.0938","0.0949","","","","","","1.027","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109283","5.1","0.001","15.197","0.003","25.241","0.005","90","","95.58","0.03","90","","1947","0.7","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H15 Au N2 O2 -","- C25 H15 Au N2 O2 -","- C100 H60 Au4 N8 O8 -","4","1","","Keith Man-Chung Wong; Ling-Ling Hung; Wai Han Lam; Nianyong Zhu; Vivian Wing-Wah Yam","A Class of Luminescent Cyclometalated Alkynylgold(III) Complexes: Synthesis, Characterization, and Electrochemical, Photophysical, and Computational Studies of [Au(C^N^C)(C\τbCR)] (C^N^C = κ3C,N,C Bis-cyclometalated 2,6-Diphenylpyridyl)","Journal of the American Chemical Society","2007","129","","4350","4365","10.1021/ja068264u","","","0.71073","MoKα","","0.0571","0.0348","","","0.0749","0.079","","","","","","0.9","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109284","12.934","0.003","19.404","0.004","9.697","0.0019","90","","107.33","0.03","90","","2323.2","0.9","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Au N O -","- C29 H25 Au N O -","- C116 H100 Au4 N4 O4 -","4","1","","Keith Man-Chung Wong; Ling-Ling Hung; Wai Han Lam; Nianyong Zhu; Vivian Wing-Wah Yam","A Class of Luminescent Cyclometalated Alkynylgold(III) Complexes: Synthesis, Characterization, and Electrochemical, Photophysical, and Computational Studies of [Au(C^N^C)(C\τbCR)] (C^N^C = κ3C,N,C Bis-cyclometalated 2,6-Diphenylpyridyl)","Journal of the American Chemical Society","2007","129","","4350","4365","10.1021/ja068264u","","","0.71073","MoKα","","0.0906","0.048","","","0.0974","0.1045","","","","","","0.807","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109285","8.282","0.0017","9.029","0.0018","13.87","0.003","84.67","0.03","81.18","0.03","84.33","0.03","1016.7","0.4","253","2","253","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 Au N -","- C25 H24 Au N -","- C50 H48 Au2 N2 -","2","1","","Keith Man-Chung Wong; Ling-Ling Hung; Wai Han Lam; Nianyong Zhu; Vivian Wing-Wah Yam","A Class of Luminescent Cyclometalated Alkynylgold(III) Complexes: Synthesis, Characterization, and Electrochemical, Photophysical, and Computational Studies of [Au(C^N^C)(C\τbCR)] (C^N^C = κ3C,N,C Bis-cyclometalated 2,6-Diphenylpyridyl)","Journal of the American Chemical Society","2007","129","","4350","4365","10.1021/ja068264u","","","0.71073","MoKα","","0.0524","0.05","","","0.1277","0.1286","","","","","","1.055","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109286","19.335","0.004","19.732","0.004","7.172","0.0014","90","","99.76","0.03","90","","2696.6","1","301","2","301","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H32 Au N -","- C33 H32 Au N -","- C132 H128 Au4 N4 -","4","0.5","","Keith Man-Chung Wong; Ling-Ling Hung; Wai Han Lam; Nianyong Zhu; Vivian Wing-Wah Yam","A Class of Luminescent Cyclometalated Alkynylgold(III) Complexes: Synthesis, Characterization, and Electrochemical, Photophysical, and Computational Studies of [Au(C^N^C)(C\τbCR)] (C^N^C = κ3C,N,C Bis-cyclometalated 2,6-Diphenylpyridyl)","Journal of the American Chemical Society","2007","129","","4350","4365","10.1021/ja068264u","","","0.71073","MoKα","","0.0357","0.0262","","","0.0558","0.0572","","","","","","0.901","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109287","8.637","0.0017","20.419","0.004","18.93","0.004","90","","101.81","0.03","90","","3267.8","1.2","253","2","253","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 Au Cl2 N -","- C39 H36 Au Cl2 N -","- C156 H144 Au4 Cl8 N4 -","4","1","","Keith Man-Chung Wong; Ling-Ling Hung; Wai Han Lam; Nianyong Zhu; Vivian Wing-Wah Yam","A Class of Luminescent Cyclometalated Alkynylgold(III) Complexes: Synthesis, Characterization, and Electrochemical, Photophysical, and Computational Studies of [Au(C^N^C)(C\τbCR)] (C^N^C = κ3C,N,C Bis-cyclometalated 2,6-Diphenylpyridyl)","Journal of the American Chemical Society","2007","129","","4350","4365","10.1021/ja068264u","","","0.71073","MoKα","","0.0369","0.0298","","","0.0925","0.0952","","","","","","1.15","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109288","22.158","0.007","14.303","0.003","23.344","0.005","90","","125.02","0.02","90","","6059","3","293","2","293","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H42 N6 O -","- C32 H42 N6 O -","- C256 H336 N48 O8 -","8","1","","Cristina Nativi; Martina Cacciarini; Oscar Francesconi; Alberto Vacca; Gloriano Moneti; Andrea Ienco; Stefano Roelens","Pyrrolic Tripodal Receptors Effectively Recognizing Monosaccharides. Affinity Assessment through a Generalized Binding Descriptor","Journal of the American Chemical Society","2007","129","","4377","4385","10.1021/ja068754m","","x-ray","0.71069","MoKα","","0.1708","0.0545","","","0.1131","0.1472","","","","","","0.986","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109289","11.123","0.006","11.647","0.006","13.344","0.005","104.53","0.04","112.03","0.04","105.56","0.05","1419.1","1.6","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C30 H38 N6 O4 -","- C30 H38 N6 O4 -","- C60 H76 N12 O8 -","2","1","","Cristina Nativi; Martina Cacciarini; Oscar Francesconi; Alberto Vacca; Gloriano Moneti; Andrea Ienco; Stefano Roelens","Pyrrolic Tripodal Receptors Effectively Recognizing Monosaccharides. Affinity Assessment through a Generalized Binding Descriptor","Journal of the American Chemical Society","2007","129","","4377","4385","10.1021/ja068754m","","x-ray","1.54184","CuKα","","0.1995","0.0964","","","0.2354","0.3024","","","","","","0.993","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109290","18.373","0.005","6.8736","0.0018","24.778","0.006","90","","93.551","0.005","90","","3123.2","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 Br2 N -","- C16 H17 Br2 N -","- C128 H136 Br16 N8 -","8","1","","Shelli R. Waetzig; Jon A. Tunge","Regio- and Diastereoselective Decarboxylative Coupling of Heteroaromatic Alkanes","Journal of the American Chemical Society","2007","129","","4138","4139","10.1021/ja070116w","","","0.71073","MoKα","","0.1297","0.0675","","","0.1509","0.1678","","","","","","0.985","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109291","13.0417","0.0017","14.5598","0.0019","16.336","0.002","94.317","0.002","108.821","0.002","104.061","0.002","2808","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H23 B F36 N2 Ni -","- C53 H23 B F36 N2 Ni -","- C106 H46 B2 F72 N4 Ni2 -","2","1","","Abby R. O'Connor; Peter S. White; Maurice Brookhart","The Mechanism of Polymerization of Butadiene by ""Ligand-Free"" Nickel(II) Complexes","Journal of the American Chemical Society","2007","129","","4142","4143","10.1021/ja070364s","","","0.71073","MoKα","","0.135","0.0766","","","0.1294","0.1394","","","","","","1.898","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109292","17.6927","0.0006","19.4801","0.0006","26.9426","0.0009","90","","90","","90","","9285.9","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H35 B F24 Ni -","- C47 H35 B F24 Ni -","- C376 H280 B8 F192 Ni8 -","8","1","","Abby R. O'Connor; Peter S. White; Maurice Brookhart","The Mechanism of Polymerization of Butadiene by ""Ligand-Free"" Nickel(II) Complexes","Journal of the American Chemical Society","2007","129","","4142","4143","10.1021/ja070364s","","","1.54178","CuKα","","0.1148","0.0973","","","0.2564","0.2744","","","","","","1.011","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109293","11.624","0.003","5.549","0.002","21.301","0.006","90","","104.981","0.005","90","","1327.2","0.7","163.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O S -","- C16 H14 O S -","- C64 H56 O4 S4 -","4","1","","Nathan D. Shapiro; F. Dean Toste","Rearrangement of Alkynyl Sulfoxides Catalyzed by Gold(I) Complexes","Journal of the American Chemical Society","2007","129","","4160","4161","10.1021/ja070789e","","","0.7107","MoKα","","0.0752","0.0431","","0.057","","0.0499","","","","","","1.442","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109294","10.106","0.002","10.866","0.002","13.975","0.003","68.662","0.003","71.425","0.003","64.519","0.003","1266.2","0.4","163.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H16 O4 S -","- C13 H16 O4 S -","- C52 H64 O16 S4 -","4","2","","Nathan D. Shapiro; F. Dean Toste","Rearrangement of Alkynyl Sulfoxides Catalyzed by Gold(I) Complexes","Journal of the American Chemical Society","2007","129","","4160","4161","10.1021/ja070789e","","","0.7107","MoKα","","0.0612","0.0389","","0.0539","","0.0494","","","","","","1.653","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109295","5.4978","0.0003","17.7771","0.0007","13.4393","0.0006","90","","101.985","0.0015","90","","1284.86","0.1","173.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 Br N2 O8 -","- C27 H23 Br N2 O8 -","- C54 H46 Br2 N4 O16 -","2","1","","Masahiro Inoue; Masahisa Nakada","Structure Elucidation and Enantioselective Total Synthesis of the Potent HMG-CoA Reductase Inhibitor FR901512 via Catalytic Asymmetric Nozaki-Hiyama Reactions","Journal of the American Chemical Society","2007","129","","4164","4165","10.1021/ja070812w","","","0.71075","MoKα","","","0.0285","","","","0.0559","","","","","","0.674","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109296","14.71","0.003","15.829","0.004","16.253","0.004","116.874","0.004","96.699","0.004","100.299","0.004","3236.2","1.3","220","2","220","2","","","","","","","","8","P -1","-P 1","2","Platinum Tin cluster","Platinum Tin cluster","","- C78 H168 K4 N14 O24 P0 Pt2 Sn17 -","- C78 H168 K4 N14 O24 Pt1.9998 Sn16.9998 -","- C78 H168 K4 N14 O24 Pt1.9998 Sn16.9998 -","1","0.5","","Banu Kesanli; Jordan E. Halsig; Peter Zavalij; James C. Fettinger; Yiu-Fai Lam; Bryan W. Eichhorn","Cluster Growth and Fragmentation in the Highly Fluxional Platinum Derivatives of Sn94-: Synthesis, Characterization, and Solution Dynamics of Pt2@Sn174- and Pt@Sn9H3-","Journal of the American Chemical Society","2007","129","","4567","4574","10.1021/ja065764e","","","0.71073","MoKα","","0.0553","0.0372","","","0.0812","0.0879","","","","","","1","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109297","8.043","0.001","8.214","0.001","26.677","0.002","90","","91.05","0.01","90","","1762.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(octahydro-indolizin-3-yl)-diphenyl-methanol","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","","Satinder V. Kessar; Paramjit Singh; Kamal Nain Singh; P. Venugopalan; Amarjit Kaur; Prasad V. Bharatam; Arvind K.Sharma","An Experimental and Computational Study of Stereoselectivity and Reactivity in Lewis Acid Promoted Lithiation-Substitution of Tertiary Amines","Journal of the American Chemical Society","2007","129","","4506","4507","10.1021/ja0675144","","","0.71073","MoKα","","0.0526","0.0393","","","0.0978","0.1062","","","","","","1.01","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109298","14.483","0.002","26.555","0.005","18.961","0.003","90","","95.12","0.02","90","","7263","2","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H58 Cl13 P3 Pt3 S3 -","- C61 H58 Cl13 P3 Pt3 S3 -","- C244 H232 Cl52 P12 Pt12 S12 -","4","1","","Christian Albrecht; Sebastian Schwieger; Clemens Bruhn; Christoph Wagner; Ralph Kluge; Harry Schmidt; Dirk Steinborn","Alkylthio Bridged 44 cve Triangular Platinum Clusters: Synthesis, Oxidation, Degradation, Ligand Substitution, and Quantum Chemical Calculations","Journal of the American Chemical Society","2007","129","","4551","4566","10.1021/ja068476r","","","0.71073","MoKα","","0.041","0.0291","","","0.0674","0.0748","","","","","","1.024","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109299","9.194","0.002","17.693","0.003","16.586","0.004","90","","99.37","0.03","90","","2662","1","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 As2 Cl8 Pt2 S2 -","- C50 H42 As2 Cl8 Pt2 S2 -","- C100 H84 As4 Cl16 Pt4 S4 -","2","0.5","","Christian Albrecht; Sebastian Schwieger; Clemens Bruhn; Christoph Wagner; Ralph Kluge; Harry Schmidt; Dirk Steinborn","Alkylthio Bridged 44 cve Triangular Platinum Clusters: Synthesis, Oxidation, Degradation, Ligand Substitution, and Quantum Chemical Calculations","Journal of the American Chemical Society","2007","129","","4551","4566","10.1021/ja068476r","","","0.71073","MoKα","","0.0395","0.0286","","","0.0673","0.0709","","","","","","0.984","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109300","28.655","0.007","15.065","0.002","18.692","0.005","90","","88.07","0.03","90","","8065","3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H72 Cl O P3 Pt3 S4 -","- C78 H72 Cl O P3 Pt3 S4 -","- C312 H288 Cl4 O4 P12 Pt12 S16 -","4","1","","Christian Albrecht; Sebastian Schwieger; Clemens Bruhn; Christoph Wagner; Ralph Kluge; Harry Schmidt; Dirk Steinborn","Alkylthio Bridged 44 cve Triangular Platinum Clusters: Synthesis, Oxidation, Degradation, Ligand Substitution, and Quantum Chemical Calculations","Journal of the American Chemical Society","2007","129","","4551","4566","10.1021/ja068476r","","","0.71073","MoKα","","0.0679","0.0436","","","0.1116","0.1231","","","","","","0.956","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109301","11.2934","0.0014","29.191","0.005","16.471","0.002","90","","91.44","0.016","90","","5428.2","1.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H55 Cl P4 Pt2 S -","- C62 H55 Cl P4 Pt2 S -","- C248 H220 Cl4 P16 Pt8 S4 -","4","1","","Christian Albrecht; Sebastian Schwieger; Clemens Bruhn; Christoph Wagner; Ralph Kluge; Harry Schmidt; Dirk Steinborn","Alkylthio Bridged 44 cve Triangular Platinum Clusters: Synthesis, Oxidation, Degradation, Ligand Substitution, and Quantum Chemical Calculations","Journal of the American Chemical Society","2007","129","","4551","4566","10.1021/ja068476r","","","0.71073","MoKα","","0.0593","0.0439","","","0.108","0.1223","","","","","","1.036","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109302","11.35","0.002","13.561","0.003","14.212","0.003","98.75","0.02","112.4","0.02","92.88","0.03","1984.8","0.8","220","2","220","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H38 Br2 Cl2 P2 Pt2 S2 -","- C39 H38 Br2 Cl2 P2 Pt2 S2 -","- C78 H76 Br4 Cl4 P4 Pt4 S4 -","2","1","","Christian Albrecht; Sebastian Schwieger; Clemens Bruhn; Christoph Wagner; Ralph Kluge; Harry Schmidt; Dirk Steinborn","Alkylthio Bridged 44 cve Triangular Platinum Clusters: Synthesis, Oxidation, Degradation, Ligand Substitution, and Quantum Chemical Calculations","Journal of the American Chemical Society","2007","129","","4551","4566","10.1021/ja068476r","","","0.71073","MoKα","","0.0478","0.0423","","","0.1148","0.1218","","","","","","1.077","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109303","6.3059","0.0013","13.827","0.003","21.217","0.004","90","","90","","90","","1849.9","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","1","","Daniel P. O'Malley; Ke Li; Michael Maue; Alexandros L. Zografos; Phil S. Baran","Total Synthesis of Dimeric Pyrrole-Imidazole Alkaloids: Sceptrin, Ageliferin, Nagelamide E, Oxysceptrin, Nakamuric Acid, and the Axinellamine Carbon Skeleton","Journal of the American Chemical Society","2007","129","","4762","4775","10.1021/ja069035a","","","0.71073","MoKα","","0.0516","0.0422","","","0.0948","0.0993","","","","","","1.061","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109304","7.7393","0.0004","7.7393","0.0004","37.305","0.003","90","","90","","120","","1935.1","0.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24 H38 Cl2 Mo Si2 -","- C24 H38 Cl2 Mo Si2 -","- C72 H114 Cl6 Mo3 Si6 -","3","0.5","","Holger Braunschweig; Nele Buggisch; Ulli Englert; Melanie Homberger; Thomas Kupfer; Dirk Leusser; Matthias Lutz; Krzysztof Radacki","Dilithiation of Bis(benzene)molybdenum and Subsequent Isolation of a Molybdenum-Containing Paracyclophane","Journal of the American Chemical Society","2007","129","","4840","4846","10.1021/ja0692130","","","0.71073","MoKα","","0.0383","0.0325","","","0.0806","0.0822","","","","","","1.226","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109305","14.22","0.005","13.712","0.005","25.833","0.009","90","","100.282","0.014","90","","4956","3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 B N3 O -","- C34 H24 B N3 O -","- C272 H192 B8 N24 O8 -","8","2","","Yasuhide Inokuma; Zin Seok Yoon; Dongho Kim; Atsuhiro Osuka","meso-Aryl-Substituted Subporphyrins: Synthesis, Structures, and Large Substituent Effects on Their Electronic Properties","Journal of the American Chemical Society","2007","129","","4747","4761","10.1021/ja069324z","","","0.71075","MoKα","","0.1336","0.0769","","","0.194","0.2266","","","","","","1.066","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109306","28.712","0.002","16.7407","0.0013","22.2837","0.0017","90","","130.003","0.001","90","","8204.6","1.1","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H56 B N3 O3 -","- C48 H56 B N3 O3 -","- C384 H448 B8 N24 O24 -","8","1","","Yasuhide Inokuma; Zin Seok Yoon; Dongho Kim; Atsuhiro Osuka","meso-Aryl-Substituted Subporphyrins: Synthesis, Structures, and Large Substituent Effects on Their Electronic Properties","Journal of the American Chemical Society","2007","129","","4747","4761","10.1021/ja069324z","","","0.71073","MoKα","","0.0975","0.0675","","","0.1709","0.1881","","","","","","1.028","","","","has coordinates,has disorder","178839","2020-10-21","18:00:00",""
"4109307","8.017","0.007","21.24","0.02","16.75","0.02","90","","90.28","0.05","90","","2852","5","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C37 H21 B N6 O -","- C37 H21 B N6 O -","- C148 H84 B4 N24 O4 -","4","1","","Yasuhide Inokuma; Zin Seok Yoon; Dongho Kim; Atsuhiro Osuka","meso-Aryl-Substituted Subporphyrins: Synthesis, Structures, and Large Substituent Effects on Their Electronic Properties","Journal of the American Chemical Society","2007","129","","4747","4761","10.1021/ja069324z","","","0.71075","MoKα","","0.1589","0.0854","","","0.1701","0.2036","","","","","","1.023","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109308","14.2905","0.0011","14.3984","0.0012","16.4038","0.0013","79.206","0.001","81.292","0.001","73.63","0.002","3163.7","0.4","90","2","90","2","","","","","","","","6","P 1","P 1","1","","","","- C139 H87 B4 Cl9 N24 O28 -","- C139 H87 B4 Cl9 N24 O28 -","- C139 H87 B4 Cl9 N24 O28 -","1","1","","Yasuhide Inokuma; Zin Seok Yoon; Dongho Kim; Atsuhiro Osuka","meso-Aryl-Substituted Subporphyrins: Synthesis, Structures, and Large Substituent Effects on Their Electronic Properties","Journal of the American Chemical Society","2007","129","","4747","4761","10.1021/ja069324z","","","0.71073","MoKα","","0.0594","0.0479","","","0.1208","0.1327","","","","","","1.039","","","","has coordinates,has disorder","178839","2020-10-21","18:00:00",""
"4109309","12.663","0.0011","14.0703","0.0013","14.9534","0.0013","111.674","0.002","103.125","0.002","101.496","0.002","2290.2","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C45.63 H51.21 B Cl1.31 N3 O13.57 -","- C45.631 H51.21 B Cl1.314 N3 O13.569 -","- C91.262 H102.42 B2 Cl2.628 N6 O27.138 -","2","1","","Yasuhide Inokuma; Zin Seok Yoon; Dongho Kim; Atsuhiro Osuka","meso-Aryl-Substituted Subporphyrins: Synthesis, Structures, and Large Substituent Effects on Their Electronic Properties","Journal of the American Chemical Society","2007","129","","4747","4761","10.1021/ja069324z","","","0.71073","MoKα","","0.0934","0.0724","","","0.1831","0.1978","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109310","9.802","0.004","13.13","0.005","13.752","0.005","61.55","0.015","83.001","0.016","80.696","0.017","1533.6","1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H18 B Br3 F3 N3 O2 -","- C35 H18 B Br3 F3 N3 O2 -","- C70 H36 B2 Br6 F6 N6 O4 -","2","1","","Yasuhide Inokuma; Zin Seok Yoon; Dongho Kim; Atsuhiro Osuka","meso-Aryl-Substituted Subporphyrins: Synthesis, Structures, and Large Substituent Effects on Their Electronic Properties","Journal of the American Chemical Society","2007","129","","4747","4761","10.1021/ja069324z","","","0.71075","MoKα","","0.0662","0.0467","","","0.1427","0.1617","","","","","","1.087","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109311","8.8051","0.0011","14.0155","0.0017","19.182","0.002","90","","94.398","0.002","90","","2360.2","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Ag F6 N4 O2 Sb -","- C22 H14 Ag F6 N4 O2 Sb -","- C88 H56 Ag4 F24 N16 O8 Sb4 -","4","1","","Yu-Bin Dong; You-Yun Jiang; Jie Li; Jian-Ping Ma; Feng-Ling Liu; Bo Tang; Ru-Qi Huang; Stuart R. Batten","Temperature-Dependent Synthesis of Metal-Organic Frameworks Based on a Flexible Tetradentate Ligand with Bidirectional Coordination Donors","Journal of the American Chemical Society","2007","129","","4520","4521","10.1021/ja0701917","","","0.71073","MoKα","","0.0306","0.0266","","","0.0602","0.0619","","","","","","1.033","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109312","16.042","0.004","12.199","0.003","15.05","0.004","90","","110.326","0.004","90","","2761.8","1.2","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Ag2 B2 F8 N4 O4 -","- C22 H18 Ag2 B2 F8 N4 O4 -","- C88 H72 Ag8 B8 F32 N16 O16 -","4","0.5","","Yu-Bin Dong; You-Yun Jiang; Jie Li; Jian-Ping Ma; Feng-Ling Liu; Bo Tang; Ru-Qi Huang; Stuart R. Batten","Temperature-Dependent Synthesis of Metal-Organic Frameworks Based on a Flexible Tetradentate Ligand with Bidirectional Coordination Donors","Journal of the American Chemical Society","2007","129","","4520","4521","10.1021/ja0701917","","","0.71073","MoKα","","0.1059","0.0701","","","0.1745","0.1945","","","","","","1.053","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109313","17.0901","0.0009","17.0901","0.0009","23.987","0.002","90","","90","","90","","7005.9","0.8","298","2","298","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C22 H14 Ag F6 N4 O2 Sb -","- C22 H14 Ag F6 N4 O2 Sb -","- C176 H112 Ag8 F48 N32 O16 Sb8 -","8","0.5","","Yu-Bin Dong; You-Yun Jiang; Jie Li; Jian-Ping Ma; Feng-Ling Liu; Bo Tang; Ru-Qi Huang; Stuart R. Batten","Temperature-Dependent Synthesis of Metal-Organic Frameworks Based on a Flexible Tetradentate Ligand with Bidirectional Coordination Donors","Journal of the American Chemical Society","2007","129","","4520","4521","10.1021/ja0701917","","","0.71073","MoKα","","0.0692","0.0465","","","0.0965","0.1026","","","","","","0.98","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109314","31.483","0.003","7.3937","0.0008","28.16","0.003","90","","113.377","0.002","90","","6016.9","1.1","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H17 Ag B F4 N4 O2 -","- C25 H17 Ag B F4 N4 O2 -","- C200 H136 Ag8 B8 F32 N32 O16 -","8","1","","Yu-Bin Dong; You-Yun Jiang; Jie Li; Jian-Ping Ma; Feng-Ling Liu; Bo Tang; Ru-Qi Huang; Stuart R. Batten","Temperature-Dependent Synthesis of Metal-Organic Frameworks Based on a Flexible Tetradentate Ligand with Bidirectional Coordination Donors","Journal of the American Chemical Society","2007","129","","4520","4521","10.1021/ja0701917","","","0.71073","MoKα","","0.1196","0.0733","","","0.1979","0.2177","","","","","","1.085","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109315","7.4166","0.0006","6.8485","0.0007","20.6409","0.0016","90","","100.035","0.005","90","","1032.37","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","","Kew-Yu Chen; Yi-Ming Cheng; Cheng-Hsuan Lai; Cheng-Chih Hsu; Mei-Lin Ho; Gene-Hsiang Lee; Pi-Tai Chou","Ortho Green Fluorescence Protein Synthetic Chromophore; Excited-State Intramolecular Proton Transfer via a Seven-Membered-Ring Hydrogen-Bonding System","Journal of the American Chemical Society","2007","129","","4534","4535","10.1021/ja070880i","","","0.71073","MoKα","","0.097","0.0445","","","0.0945","0.1158","","","","","","0.975","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109316","9.262","0.0007","17.608","0.002","7.774","0.0006","89.996","0.007","90.668","0.007","89.993","0.007","1267.7","0.2","293.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O -","- C18 H14 O -","- C72 H56 O4 -","4","1","","Takayuki Kudoh; Tomoko Mori; Mitsuhito Shirahama; Masashi Yamada; Teruhiko Ishikawa; Seiki Saito; Hisayoshi Kobayashi","Intramolecular Anionic Diels-Alder Reactions of 1-Aryl-4-oxahepta-1,6-diyne Systems in DMSO","Journal of the American Chemical Society","2007","129","","4939","4947","10.1021/ja066485u","","","1.5419","CuKα","","","0.054","","","","0.066","","","","","","12.468","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109317","9.429","0.008","11.85","0.01","11.96","0.02","69.63","0.04","66.86","0.07","84.08","0.05","1151","2","293.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 O -","- C16 H12 O -","- C64 H48 O4 -","4","2","","Takayuki Kudoh; Tomoko Mori; Mitsuhito Shirahama; Masashi Yamada; Teruhiko Ishikawa; Seiki Saito; Hisayoshi Kobayashi","Intramolecular Anionic Diels-Alder Reactions of 1-Aryl-4-oxahepta-1,6-diyne Systems in DMSO","Journal of the American Chemical Society","2007","129","","4939","4947","10.1021/ja066485u","","","1.5419","CuKα","","","0.058","","","","0.056","","","","","","5.358","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109318","17.872","0.002","17.872","0.002","33.61","0.004","90","","90","","90","","10735","2","273.2","","","","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C46 H38 Cl Co N2 O2 Pd -","- C46 H38 Cl Co N2 O10.31 Pd -","- C368 H304 Cl8 Co8 N16 O82.48 Pd8 -","8","1","","Mary P. Watson; Larry E. Overman; Robert G. Bergman","Kinetic and Computational Analysis of the Palladium(II)-Catalyzed Asymmetric Allylic Trichloroacetimidate Rearrangement: Development of a Model for Enantioselectivity","Journal of the American Chemical Society","2007","129","","5031","5044","10.1021/ja0676962","","","0.7107","MoKα","","0.1095","0.0543","","0.0637","","0.0544","","","","","","1.752","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109319","19.89","0.004","13.46","0.003","14.7","0.003","90","","110.69","0.03","90","","3681.7","1.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 Cl2 Mn2 N4 O14 -","- C34 H36 Cl2 Mn2 N4 O14 -","- C136 H144 Cl8 Mn8 N16 O56 -","4","0.5","","Lollita Lecren; Wolfgang Wernsdorfer; Yang-Guang Li; Alessandro Vindigni; Hitoshi Miyasaka; Rodolphe Clérac","One-Dimensional Supramolecular Organization of Single-Molecule Magnets","Journal of the American Chemical Society","2007","129","","5045","5051","10.1021/ja067744i","","","0.71073","MoKα","","0.0661","0.0403","","","0.0955","0.1087","","","","","","1.034","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109320","12.9201","0.0006","14.0054","0.0007","18.2113","0.0009","90","","98.677","0.001","90","","3257.6","0.3","141","2","141","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 F2 N2 Th -","- C36 H44 F2 N2 Th -","- C144 H176 F8 N8 Th4 -","4","0.5","","Eric J. Schelter; Ping Yang; Brian L. Scott; Ryan E. Da Re; Kimberly C. Jantunen; Richard L. Martin; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger","Systematic Studies of Early Actinide Complexes: Thorium(IV) Fluoroketimides","Journal of the American Chemical Society","2007","129","","5139","5152","10.1021/ja0686458","","","0.71073","MoKα","","0.0197","0.018","","","0.0484","0.0488","","","","","","1.323","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109321","10.18","0.005","17.88","0.008","18.364","0.008","90","","90","","90","","3343","3","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 F2 N2 Th -","- C36 H44 F2 N2 Th -","- C144 H176 F8 N8 Th4 -","4","1","","Eric J. Schelter; Ping Yang; Brian L. Scott; Ryan E. Da Re; Kimberly C. Jantunen; Richard L. Martin; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger","Systematic Studies of Early Actinide Complexes: Thorium(IV) Fluoroketimides","Journal of the American Chemical Society","2007","129","","5139","5152","10.1021/ja0686458","","","0.71073","MoKα","","0.0471","0.0359","","","0.0757","0.0794","","","","","","0.99","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109322","15.568","0.002","11.3893","0.0017","18.841","0.003","90","","90.668","0.003","90","","3340.4","0.8","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 F4 N2 Th -","- C36 H42 F4 N2 Th -","- C144 H168 F16 N8 Th4 -","4","1","","Eric J. Schelter; Ping Yang; Brian L. Scott; Ryan E. Da Re; Kimberly C. Jantunen; Richard L. Martin; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger","Systematic Studies of Early Actinide Complexes: Thorium(IV) Fluoroketimides","Journal of the American Chemical Society","2007","129","","5139","5152","10.1021/ja0686458","","","0.71073","MoKα","","0.0806","0.0413","","","0.0742","0.086","","","","","","0.981","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109323","13.087","0.003","13.927","0.003","18.783","0.005","90","","99.272","0.003","90","","3378.7","1.4","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 F6 N2 Th -","- C36 H40 F6 N2 Th -","- C144 H160 F24 N8 Th4 -","4","0.5","","Eric J. Schelter; Ping Yang; Brian L. Scott; Ryan E. Da Re; Kimberly C. Jantunen; Richard L. Martin; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger","Systematic Studies of Early Actinide Complexes: Thorium(IV) Fluoroketimides","Journal of the American Chemical Society","2007","129","","5139","5152","10.1021/ja0686458","","","0.71073","MoKα","","0.0172","0.0145","","","0.0362","0.0372","","","","","","1.185","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109324","10.729","0.0005","17.7108","0.0008","19.3565","0.0009","108.759","0.001","90.192","0.001","102.902","0.001","3383.5","0.3","141","2","141","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 F4 N2 Th -","- C36 H42 F4 N2 Th -","- C144 H168 F16 N8 Th4 -","4","2","","Eric J. Schelter; Ping Yang; Brian L. Scott; Ryan E. Da Re; Kimberly C. Jantunen; Richard L. Martin; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger","Systematic Studies of Early Actinide Complexes: Thorium(IV) Fluoroketimides","Journal of the American Chemical Society","2007","129","","5139","5152","10.1021/ja0686458","","","0.71073","MoKα","","0.071","0.0442","","","0.1002","0.1092","","","","","","1.157","","","","has coordinates,has disorder","189367","2020-10-21","18:00:00",""
"4109325","14.566","0.002","16.206","0.002","15.119","0.002","90","","94.027","0.002","90","","3560.1","0.8","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 F6 N2 Th -","- C36 H40 F6 N2 Th -","- C144 H160 F24 N8 Th4 -","4","0.5","","Eric J. Schelter; Ping Yang; Brian L. Scott; Ryan E. Da Re; Kimberly C. Jantunen; Richard L. Martin; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger","Systematic Studies of Early Actinide Complexes: Thorium(IV) Fluoroketimides","Journal of the American Chemical Society","2007","129","","5139","5152","10.1021/ja0686458","","","0.71073","MoKα","","0.0362","0.0309","","","0.0746","0.079","","","","","","1.123","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109326","16.066","0.003","16.393","0.003","26.997","0.005","90","","90","","90","","7110","2","141","2","141","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C36 H36 F10 N2 Th -","- C36 H36 F10 N2 Th -","- C288 H288 F80 N16 Th8 -","8","1","","Eric J. Schelter; Ping Yang; Brian L. Scott; Ryan E. Da Re; Kimberly C. Jantunen; Richard L. Martin; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger","Systematic Studies of Early Actinide Complexes: Thorium(IV) Fluoroketimides","Journal of the American Chemical Society","2007","129","","5139","5152","10.1021/ja0686458","","","0.71073","MoKα","","0.0583","0.0249","","","0.0518","0.0594","","","","","","1.006","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109327","8.138","0.0004","12.384","0.0008","16.028","0.001","75.343","0.002","78.788","0.002","78.105","0.003","1511.82","0.16","130","2","130","2","","","","","","","","4","P -1","-P 1","2","TEMPOH","TEMPOH","","- C9 H19.67 N O1.33 -","- C9 H19.6667 N O1.33333 -","- C54 H118 N6 O8 -","6","3","","Mader, Elizabeth A.; Davidson, Ernest R.; Mayer, James M.","Large Ground-State Entropy Changes for Hydrogen Atom Transfer Reactions of Iron Complexes","Journal of the American Chemical Society","2007","129","16","5153","5166","10.1021/ja0686918","","","0.71073","MoKα","","0.1321","0.0633","","","0.1208","0.1407","","","","","","1","","","","has coordinates","210882","2020-10-21","18:00:00",""
"4109328","9.906","0.003","21.996","0.007","19.615","0.006","90","","104.005","0.004","90","","4147","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H55 Cl3 Fe N13 O13 -","- C29.216 H53.04 Cl3 Fe N13 O12.804 -","- C116.864 H212.16 Cl12 Fe4 N52 O51.216 -","4","1","","Elizabeth A. Mader; Ernest R. Davidson; James M. Mayer","Large Ground-State Entropy Changes for Hydrogen Atom Transfer Reactions of Iron Complexes","Journal of the American Chemical Society","2007","129","","5153","5166","10.1021/ja0686918","","","0.71073","MoKα","","0.0814","0.0687","","","0.1586","0.1656","","","","","","1.12","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109329","11.4362","0.0007","8.1087","0.0005","17.759","0.0019","90","","108.488","0.002","90","","1561.8","0.2","173.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Yoshihiro Yamauchi; Gen Onodera; Ken Sakata; Masahiro Yuki; Yoshihiro Miyake; Sakae Uemura; Yoshiaki Nishibayashi","Ruthenium-Catalyzed Reactions of 1-Cyclopropyl-2-propyn-1-ols with Anilines and Water via Allenylidene Intermediates: Selective Preparation of Tri- and Tetrasubstituted Conjugated Enynes","Journal of the American Chemical Society","2007","129","","5175","5179","10.1021/ja0687926","","","0.71069","MoKα","","","0.0574","","","","0.119","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109330","13.1648","0.0004","17.9501","0.0007","16.4012","0.0007","90","","106.72","0.0019","90","","3711.9","0.2","173.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H46 Cl F3 O3 Ru2 S3 -","- C35 H46 Cl F3 O3 Ru2 S3 -","- C140 H184 Cl4 F12 O12 Ru8 S12 -","4","1","","Yoshihiro Yamauchi; Gen Onodera; Ken Sakata; Masahiro Yuki; Yoshihiro Miyake; Sakae Uemura; Yoshiaki Nishibayashi","Ruthenium-Catalyzed Reactions of 1-Cyclopropyl-2-propyn-1-ols with Anilines and Water via Allenylidene Intermediates: Selective Preparation of Tri- and Tetrasubstituted Conjugated Enynes","Journal of the American Chemical Society","2007","129","","5175","5179","10.1021/ja0687926","","","0.71069","MoKα","","","0.041","","","","0.0764","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109331","10.2129","0.001","12.7886","0.0012","16.5713","0.0014","100.309","0.006","100.679","0.0019","105.315","0.002","1991.2","0.3","173.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 O1.5 P -","- C24 H21 O1.5 P -","- C96 H84 O6 P4 -","4","2","","Yoshihiro Yamauchi; Gen Onodera; Ken Sakata; Masahiro Yuki; Yoshihiro Miyake; Sakae Uemura; Yoshiaki Nishibayashi","Ruthenium-Catalyzed Reactions of 1-Cyclopropyl-2-propyn-1-ols with Anilines and Water via Allenylidene Intermediates: Selective Preparation of Tri- and Tetrasubstituted Conjugated Enynes","Journal of the American Chemical Society","2007","129","","5175","5179","10.1021/ja0687926","","","0.71069","MoKα","","","0.0647","","","","0.1739","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109332","11.4046","0.0009","11.4046","0.0009","27.538","0.004","90","","90","","90","","3581.7","0.7","298","2","298","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C64 H64 Cl La3 N16 O28 -","- C64 H64 Cl La3 N16 O28 -","- C128 H128 Cl2 La6 N32 O56 -","2","0.125","","Yu-Bin Dong; Peng Wang; Jian-Ping Ma; Xia-Xia Zhao; Hai-Ying Wang; Bo Tang; Ru-Qi Huang","Coordination-Driven Nanosized Lanthanide ""Molecular Lantern"" with Tunable Luminescent Properties","Journal of the American Chemical Society","2007","129","","4872","4873","10.1021/ja070058e","","","0.71073","MoKα","","0.0335","0.0297","","","0.0666","0.0683","","","","","","1.068","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109333","11.3839","0.0013","11.3839","0.0013","27.512","0.006","90","","90","","90","","3565.4","1","298","2","298","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C64 H64 Ce3 Cl N16 O28 -","- C64 H64 Ce3 Cl N16 O28 -","- C128 H128 Ce6 Cl2 N32 O56 -","2","0.125","","Yu-Bin Dong; Peng Wang; Jian-Ping Ma; Xia-Xia Zhao; Hai-Ying Wang; Bo Tang; Ru-Qi Huang","Coordination-Driven Nanosized Lanthanide ""Molecular Lantern"" with Tunable Luminescent Properties","Journal of the American Chemical Society","2007","129","","4872","4873","10.1021/ja070058e","","","0.71073","MoKα","","0.0293","0.0254","","","0.0634","0.0652","","","","","","1.059","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109334","11.3309","0.0016","11.3309","0.0016","27.469","0.007","90","","90","","90","","3526.7","1.1","298","2","298","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C64 H64 Cl N16 O28 Sm3 -","- C64 H64 Cl N16 O28 Sm3 -","- C128 H128 Cl2 N32 O56 Sm6 -","2","0.125","","Yu-Bin Dong; Peng Wang; Jian-Ping Ma; Xia-Xia Zhao; Hai-Ying Wang; Bo Tang; Ru-Qi Huang","Coordination-Driven Nanosized Lanthanide ""Molecular Lantern"" with Tunable Luminescent Properties","Journal of the American Chemical Society","2007","129","","4872","4873","10.1021/ja070058e","","","0.71073","MoKα","","0.0291","0.026","","","0.0645","0.0657","","","","","","1.096","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109335","11.3115","0.001","11.3115","0.001","27.413","0.004","90","","90","","90","","3507.5","0.7","298","2","298","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C64 H64 Cl Eu3 N16 O28 -","- C64 H64 Cl Eu3 N16 O28 -","- C128 H128 Cl2 Eu6 N32 O56 -","2","0.125","","Yu-Bin Dong; Peng Wang; Jian-Ping Ma; Xia-Xia Zhao; Hai-Ying Wang; Bo Tang; Ru-Qi Huang","Coordination-Driven Nanosized Lanthanide ""Molecular Lantern"" with Tunable Luminescent Properties","Journal of the American Chemical Society","2007","129","","4872","4873","10.1021/ja070058e","","","0.71073","MoKα","","0.0331","0.029","","","0.0707","0.0726","","","","","","1.058","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109336","11.3002","0.0006","11.3002","0.0006","27.361","0.003","90","","90","","90","","3493.8","0.5","298","2","298","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C64 H64 Cl N16 O28 Tb3 -","- C64 H64 Cl N16 O28 Tb3 -","- C128 H128 Cl2 N32 O56 Tb6 -","2","0.125","","Yu-Bin Dong; Peng Wang; Jian-Ping Ma; Xia-Xia Zhao; Hai-Ying Wang; Bo Tang; Ru-Qi Huang","Coordination-Driven Nanosized Lanthanide ""Molecular Lantern"" with Tunable Luminescent Properties","Journal of the American Chemical Society","2007","129","","4872","4873","10.1021/ja070058e","","","0.71073","MoKα","","0.0394","0.0375","","","0.1009","0.1024","","","","","","1.055","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109337","11.1813","0.0004","11.1813","0.0004","31.552","0.0013","90","","90","","90","","3944.7","0.3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C34 H42 N4 Ni O14 -","- C34 H42 N4 Ni O14 -","- C136 H168 N16 Ni4 O56 -","4","0.5","","Zhuojia Lin; Alexandra M. Z. Slawin; Russell E. Morris","Chiral Induction in the Ionothermal Synthesis of a 3-D Coordination Polymer","Journal of the American Chemical Society","2007","129","","4880","4881","10.1021/ja070671y","","","0.71073","MoKα","","0.0275","0.0254","","","0.0617","0.0625","","","","","","1.068","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109338","11.1918","0.0016","11.1918","0.0016","31.561","0.006","90","","90","","90","","3953.2","1.1","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","SIMOF-4a","","","- C34 H42 N4 Ni O14 -","- C34 H32 N4 Ni O14 -","- C136 H128 N16 Ni4 O56 -","4","0.5","","Zhuojia Lin; Alexandra M. Z. Slawin; Russell E. Morris","Chiral Induction in the Ionothermal Synthesis of a 3-D Coordination Polymer","Journal of the American Chemical Society","2007","129","","4880","4881","10.1021/ja070671y","","","0.7848","synchrotron","","0.0631","0.0506","","","0.1199","0.1276","","","","","","1.039","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109339","6.5372","0.0009","8.6615","0.0012","23.493","0.003","90","","90","","90","","1330.2","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","05167a","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","","Jiachang Gong; Shana J. Sturla","A Synthetic Nucleoside Probe that Discerns a DNA Adduct from Unmodified DNA","Journal of the American Chemical Society","2007","129","","4882","4883","10.1021/ja070688g","","","0.71073","MoKα","","0.0378","0.0336","","","0.0924","0.0969","","","","","","1.099","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109340","9.2189","0.0011","11.7583","0.0015","17.726","0.002","78.151","0.003","84.614","0.003","78.245","0.003","1838.4","0.4","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H57 N O P2 Ti -","- C38 H57 N O P2 Ti -","- C76 H114 N2 O2 P4 Ti2 -","2","1","","Brad C. Bailey; John C. Huffman; Daniel J. Mindiola","Intermolecular Activation of C-X (X = H, O, F) Bonds by a Ti\τbCtBu Linkage","Journal of the American Chemical Society","2007","129","","5302","5303","10.1021/ja0684646","","","0.71073","MoKα","","0.0579","0.0371","","","0.0849","0.0909","","","","","","0.953","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109341","9.6334","0.0005","12.3727","0.0007","15.9106","0.0009","98.381","0.002","93.99","0.002","92.012","0.002","1869.64","0.18","121","2","121","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H55 F2 N O P2 Ti -","- C38 H55 F2 N O P2 Ti -","- C76 H110 F4 N2 O2 P4 Ti2 -","2","1","","Brad C. Bailey; John C. Huffman; Daniel J. Mindiola","Intermolecular Activation of C-X (X = H, O, F) Bonds by a Ti\τbCtBu Linkage","Journal of the American Chemical Society","2007","129","","5302","5303","10.1021/ja0684646","","","0.71073","MoKα","","0.0837","0.0445","","","0.0923","0.1046","","","","","","0.847","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109342","19.536","0.005","18.424","0.004","22.264","0.006","90","","90","","90","","8014","3","128","2","128","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H52 F5 N O P2 Ti -","- C38 H52 F5 N O P2 Ti -","- C304 H416 F40 N8 O8 P16 Ti8 -","8","1","","Brad C. Bailey; John C. Huffman; Daniel J. Mindiola","Intermolecular Activation of C-X (X = H, O, F) Bonds by a Ti\τbCtBu Linkage","Journal of the American Chemical Society","2007","129","","5302","5303","10.1021/ja0684646","","","0.71073","MoKα","","0.1184","0.0396","","","0.0751","0.0938","","","","","","0.767","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109343","11.9914","0.0011","12.9183","0.0012","14.0469","0.0013","75.355","0.002","80.673","0.002","78.61","0.002","2049.4","0.3","128","2","128","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H55 F6 N P2 Ti -","- C39.5 H54.5 F6 N P2 Ti -","- C79 H109 F12 N2 P4 Ti2 -","2","1","","Brad C. Bailey; John C. Huffman; Daniel J. Mindiola","Intermolecular Activation of C-X (X = H, O, F) Bonds by a Ti\τbCtBu Linkage","Journal of the American Chemical Society","2007","129","","5302","5303","10.1021/ja0684646","","","0.71073","MoKα","","0.0787","0.038","","","0.0779","0.0891","","","","","","0.884","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109344","12.0007","0.0008","19.8508","0.0013","17.3665","0.0012","90","","107.841","0.002","90","","3938.2","0.5","124","2","124","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H49 F8 N P2 Ti -","- C38 H49 F8 N P2 Ti -","- C152 H196 F32 N4 P8 Ti4 -","4","1","","Brad C. Bailey; John C. Huffman; Daniel J. Mindiola","Intermolecular Activation of C-X (X = H, O, F) Bonds by a Ti\τbCtBu Linkage","Journal of the American Chemical Society","2007","129","","5302","5303","10.1021/ja0684646","","","0.71073","MoKα","","0.0568","0.034","","","0.0806","0.0882","","","","","","0.945","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4109345","10.3246","0.001","10.512","0.001","18.6371","0.0018","74.369","0.002","81.009","0.002","76.569","0.002","1885.1","0.3","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H49 F8 N P2 Ti -","- C38 H49 F8 N P2 Ti -","- C76 H98 F16 N2 P4 Ti2 -","2","1","","Brad C. Bailey; John C. Huffman; Daniel J. Mindiola","Intermolecular Activation of C-X (X = H, O, F) Bonds by a Ti\τbCtBu Linkage","Journal of the American Chemical Society","2007","129","","5302","5303","10.1021/ja0684646","","","0.71073","MoKα","","0.0465","0.0384","","","0.1053","0.1099","","","","","","1.027","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109346","15.5934","0.0011","32.0613","0.0018","16.2353","0.0013","90","","105.16","0.006","90","","7834.3","1","208","2","208","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C173 H135 Cl3 N18 O20 -","- C173 H135 Cl3 N18 O20 -","- C346 H270 Cl6 N36 O40 -","2","0.5","","Pilar Hidalgo Ramos; Ruud G. E. Coumans; Alexander B. C. Deutman; Jan M. M. Smits; Rene de Gelder; Johannes A. A. W. Elemans; Roeland J. M. Nolte; Alan E. Rowan","Processive Rotaxane Systems. Studies on the Mechanism and Control of the Threading Process","Journal of the American Chemical Society","2007","129","","5699","5702","10.1021/ja068714i","","","0.71073","MoKα","","0.206","0.1286","","0.2939","0.2577","0.2939","","","1.109","","","1.109","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109347","25.544","0.002","32.347","0.004","12.809","0.002","90","","90","","90","","10584","2","110","","110","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C54 H58 B2 F8 Fe3 N10 O2 -","- C54 H58 B2 F8 Fe3 N10 O2 -","- C432 H464 B16 F64 Fe24 N80 O16 -","8","0.5","","Masayuki Nihei; Lingqin Han; Hiroki Oshio","Magnetic Bistability and Single-Crystal-to-Single-Crystal Transformation Induced by Guest Desorption","Journal of the American Chemical Society","2007","129","","5312","5313","10.1021/ja069120i","","","0.71073","MoKα","","0.07","0.0526","","","0.1354","0.1506","","","","","","1.026","","","","has coordinates","264242","2021-04-16","08:51:56",""
"4109348","25.04","0.02","12.792","0.012","19.806","0.019","90","","126.364","0.014","90","","5109","8","100","","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 B2 F8 Fe3 N10 O -","- C49.68 H41.52 B2 F8 Fe3 N10 O2 -","- C198.72 H166.08 B8 F32 Fe12 N40 O8 -","4","0.5","","Masayuki Nihei; Lingqin Han; Hiroki Oshio","Magnetic Bistability and Single-Crystal-to-Single-Crystal Transformation Induced by Guest Desorption","Journal of the American Chemical Society","2007","129","","5312","5313","10.1021/ja069120i","","","0.71073","MoKα","","0.165","0.1317","","","0.3394","0.3631","","","","","","1.033","","","","has coordinates,has disorder","178839","2020-10-21","18:00:00",""
"4109349","25.42","0.02","12.686","0.012","20.653","0.019","90","","126.569","0.014","90","","5349","8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H34 B2 F8 Fe3 N10 O -","- C49 H40 B2 F8 Fe3 N10 O -","- C196 H160 B8 F32 Fe12 N40 O4 -","4","0.5","","Masayuki Nihei; Lingqin Han; Hiroki Oshio","Magnetic Bistability and Single-Crystal-to-Single-Crystal Transformation Induced by Guest Desorption","Journal of the American Chemical Society","2007","129","","5312","5313","10.1021/ja069120i","","","0.71073","MoKα","","0.167","0.1135","","","0.3457","0.3845","","","","","","1.238","","","","has coordinates,has disorder","178839","2020-10-21","18:00:00",""
"4109350","13.554","0.005","12.809","0.005","22.151","0.008","90","","99.081","0.005","90","","3798","2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H85 Cl4 N6 Ni3 O34 -","- C54 H85 Cl4 N6 Ni3 O34 -","- C108 H170 Cl8 N12 Ni6 O68 -","2","1","","Da-Wei Fu; Yu-Mei Song; Guo-Xi Wang; Qiong Ye; Ren-Gen Xiong; Tomoyuki Akutagawa; Takayoshi Nakamura; Philip Wai Hong Chan; Songping D. Huang","Dielectric Anisotropy of a Homochiral Trinuclear Nickel(II) Complex","Journal of the American Chemical Society","2007","129","","5346","5347","10.1021/ja0701816","","","0.71073","MoKα","","0.0872","0.0643","","","0.1364","0.1427","","","","","","1.033","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109351","8.9295","0.0009","10.2667","0.001","14.3876","0.0014","99.62","0.002","107.679","0.002","98.996","0.002","1208.5","0.2","120","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H48 P2 Pt -","- C20 H48 P2 Pt -","- C40 H96 P4 Pt2 -","2","1","","Raffaello Romeo; Giuseppina D'Amico; Emilia Sicilia; Nino Russo; Silvia Rizzato","β-Hydrogen Kinetic Effect","Journal of the American Chemical Society","2007","129","","5744","5755","10.1021/ja0702162","","","0.71073","MoKα","","0.0156","0.0148","","","0.0369","0.0372","","","","","","1.075","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109352","10.0845","0.0005","10.7797","0.0006","15.0195","0.0008","76.057","0.001","71.396","0.001","69.137","0.001","1430.94","0.13","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N6 O7 Ru -","- C32 H24 N6 O7 Ru -","- C64 H48 N12 O14 Ru2 -","2","1","","Michael J. Rose; Marilyn M. Olmstead; Pradip K. Mascharak","Photosensitization via Dye Coordination: A New Strategy to Synthesize Metal Nitrosyls That Release NO under Visible Light","Journal of the American Chemical Society","2007","129","","5342","5343","10.1021/ja070247x","","","0.71073","MoKα","","0.0499","0.0348","","","0.0775","0.0839","","","","","","0.954","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109353","9.6421","0.0004","10.2603","0.0004","12.2844","0.0005","75.43","0.003","75.3","0.003","89.954","0.003","1135.14","0.08","90","2","90","2","","","","","","","","6","P -1","-P 1","2","[Ru(Me~2~bpb)(NO)(OH)]^.^DMSO","","","- C22 H23 N5 O5 Ru S -","- C22 H23 N5 O5 Ru S -","- C44 H46 N10 O10 Ru2 S2 -","2","1","","Michael J. Rose; Marilyn M. Olmstead; Pradip K. Mascharak","Photosensitization via Dye Coordination: A New Strategy to Synthesize Metal Nitrosyls That Release NO under Visible Light","Journal of the American Chemical Society","2007","129","","5342","5343","10.1021/ja070247x","","","0.71073","MoKα","","0.0213","0.0199","","","0.0522","0.0532","","","","","","1.054","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109354","10.278","0.001","10.278","0.001","10.278","0.001","90","","90","","90","","1085.74","0.18","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","K8-x Si46","","","- K6.95 Si46 -","- K6.952 Si46 -","- K6.952 Si46 -","1","0.0208333","","Bodo Böhme; Arnold Guloy; Zhongjia Tang; Walter Schnelle; Ulrich Burkhardt; Michael Baitinger; Yuri Grin","Oxidation of M4Si4 (M = Na, K) to Clathrates by HCl or H2O","Journal of the American Chemical Society","2007","129","","5348","5349","10.1021/ja0705691","powder diffraction","x-ray","0","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109355","10.199","0.001","10.199","0.001","10.199","0.001","90","","90","","90","","1060.9","0.18","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Na6.19 Si46 -","- Na6.168 Si46 -","- Na6.168 Si46 -","1","0.0208333","","Bodo Böhme; Arnold Guloy; Zhongjia Tang; Walter Schnelle; Ulrich Burkhardt; Michael Baitinger; Yuri Grin","Oxidation of M4Si4 (M = Na, K) to Clathrates by HCl or H2O","Journal of the American Chemical Society","2007","129","","5348","5349","10.1021/ja0705691","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109356","8.8625","0.0001","8.8625","0.0001","47.1249","0.0012","90","","90","","120","","3205.48","0.1","100","2","100","2","","","","","","","synthesis as described","3","P 31 2 1","P 31 2""","152","","","","- C25 H26 O4 -","- C25 H26 O4 -","- C150 H156 O24 -","6","1","","Luca Bernardi; Jesús López-Cantarero; Barbara Niess; Karl Anker Jørgensen","Organocatalytic Asymmetric 1,6-Additions of β-Ketoesters and Glycine Imine","Journal of the American Chemical Society","2007","129","","5772","5778","10.1021/ja0707097","","x-ray","1.54178","CuKα","","0.0283","0.0266","","","0.0641","0.0649","","","","","","1.022","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109357","31.0722","0.0006","31.0722","0.0006","9.8995","0.0004","90","","90","","90","","9557.8","0.5","293","2","293","2","","","","","","","","8","I 41/a c d :2","-I 4bd 2c","142","","","","- C8 H28 F Ga N2 O12 P4 Zn2 -","- C8 H10 F Ga N2 O12 P4 Zn2 -","- C128 H160 F16 Ga16 N32 O192 P64 Zn32 -","16","0.5","","Yu-Lun Lai; Kwang-Hwa Lii; Sue-Lein Wang","26-Ring-Channel Structure Constructed from Bimetal Phosphite Helical Chains","Journal of the American Chemical Society","2007","129","","5350","5351","10.1021/ja070733k","","","0.71073","MoKα","","0.0897","0.0462","","","0.1153","0.1274","","","","","","0.873","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109358","31.0134","0.0014","31.0134","0.0014","9.8348","0.0008","90","","90","","90","","9459.4","1","293","2","293","2","","","","","","","","8","I 41/a c d :2","-I 4bd 2c","142","","","","- C8 H28 Al F N2 O12 P4 Zn2 -","- C8 H10 Al F N2 O12 P4 Zn2 -","- C128 H160 Al16 F16 N32 O192 P64 Zn32 -","16","0.5","","Yu-Lun Lai; Kwang-Hwa Lii; Sue-Lein Wang","26-Ring-Channel Structure Constructed from Bimetal Phosphite Helical Chains","Journal of the American Chemical Society","2007","129","","5350","5351","10.1021/ja070733k","","","0.71073","MoKα","","0.1166","0.0547","","","0.1497","0.1706","","","","","","0.933","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109359","9.402","0.0007","10.0753","0.0007","10.88","0.0008","93.665","0.001","95.438","0.001","91.537","0.001","1023.34","0.13","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C52 H48 N4 O4 -","2","1","","Audrey Chan; Karl A. Scheidt","Highly Stereoselective Formal [3 + 3] Cycloaddition of Enals and Azomethine Imines Catalyzed by N-Heterocyclic Carbenes","Journal of the American Chemical Society","2007","129","","5334","5335","10.1021/ja0709167","","","0.71073","MoKα","","0.0678","0.0612","","","0.1746","0.1805","","","","","","1.061","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109360","14.0875","0.0005","19.1557","0.0006","22.0078","0.0007","90","","90","","90","","5938.9","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H94 Ga N6 Nd O Si3 -","- C52 H94 Ga N6 Nd O Si3 -","- C208 H376 Ga4 N24 Nd4 O4 Si12 -","4","1","","Polly L. Arnold; Stephen T. Liddle; Jonathan McMaster; Cameron Jones; David P. Mills","A Lanthanide-Gallium Complex Stabilized by the N-Heterocyclic Carbene Group","Journal of the American Chemical Society","2007","129","","5360","5361","10.1021/ja0710858","","","0.71073","MoKα","","0.0291","0.0259","","","0.0619","0.0632","","","","","","1.009","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109361","9.0412","0.0002","14.243","0.0003","15.6092","0.0004","90","","105.103","0.001","90","","1940.63","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 N O W -","- C19 H33 N O W -","- C76 H132 N4 O4 W4 -","4","1","","Jenkins Y. K. Tsang; Miriam S. A. Buschhaus; Peter Legzdins","Selective Activation and Functionalization of Linear Alkanes Initiated under Ambient Conditions by a Tungsten Allyl Nitrosyl Complex","Journal of the American Chemical Society","2007","129","","5372","5373","10.1021/ja0713633","","","0.71073","MoKα","","0.0222","0.0178","","","0.0411","0.0423","","","","","","1.08","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109362","8.9209","0.0005","18.9252","0.0009","11.3669","0.0006","90","","90.286","0.003","90","","1919.05","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H33 N O W -","- C19 H33 N O W -","- C76 H132 N4 O4 W4 -","4","1","","Jenkins Y. K. Tsang; Miriam S. A. Buschhaus; Peter Legzdins","Selective Activation and Functionalization of Linear Alkanes Initiated under Ambient Conditions by a Tungsten Allyl Nitrosyl Complex","Journal of the American Chemical Society","2007","129","","5372","5373","10.1021/ja0713633","","","0.71073","MoKα","","0.0316","0.0232","","","0.0495","0.0526","","","","","","1.038","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109363","8.1936","0.0004","15.3514","0.0008","14.9078","0.0007","90","","90.02","0.001","90","","1875.15","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H30 N O P W -","- C17 H30 N O P W -","- C68 H120 N4 O4 P4 W4 -","4","1","","Jenkins Y. K. Tsang; Miriam S. A. Buschhaus; Peter Legzdins","Selective Activation and Functionalization of Linear Alkanes Initiated under Ambient Conditions by a Tungsten Allyl Nitrosyl Complex","Journal of the American Chemical Society","2007","129","","5372","5373","10.1021/ja0713633","","","0.71073","MoKα","","0.0284","0.0216","","","0.051","0.0536","","","","","","1.014","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109364","11.8124","0.0003","15.508","0.0004","15.4175","0.0003","90","","99.9183","0.0015","90","","2782.07","0.12","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl4 O7 S2 -","- C26 H22 Cl4 O7 S2 -","- C104 H88 Cl16 O28 S8 -","4","1","","Hongjun Ren; Guillaume Dunet; Peter Mayer; Paul Knochel","Highly Diastereoselective Synthesis of Homoallylic Alcohols Bearing Adjacent Quaternary Centers Using Substituted Allylic Zinc Reagents","Journal of the American Chemical Society","2007","129","","5376","5377","10.1021/ja071380s","","","0.71073","MoKα","","0.0782","0.0612","","","0.142","0.15","","","","","","1.128","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109365","10.0151","0.0003","9.6694","0.0002","11.7012","0.0003","90","","108.036","0.0015","90","","1077.46","0.05","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H28 N2 O6 -","- C22 H28 N2 O6 -","- C44 H56 N4 O12 -","2","1","","Hongjun Ren; Guillaume Dunet; Peter Mayer; Paul Knochel","Highly Diastereoselective Synthesis of Homoallylic Alcohols Bearing Adjacent Quaternary Centers Using Substituted Allylic Zinc Reagents","Journal of the American Chemical Society","2007","129","","5376","5377","10.1021/ja071380s","","","0.71073","MoKα","","0.0528","0.0401","","","0.0866","0.0943","","","","","","1.041","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109366","6.2036","0.0002","9.6857","0.0002","12.6242","0.0003","102.801","0.0017","95.8199","0.0016","97.0683","0.0015","727.55","0.03","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 Fe O -","- C18 H22 Fe O -","- C36 H44 Fe2 O2 -","2","1","","Hongjun Ren; Guillaume Dunet; Peter Mayer; Paul Knochel","Highly Diastereoselective Synthesis of Homoallylic Alcohols Bearing Adjacent Quaternary Centers Using Substituted Allylic Zinc Reagents","Journal of the American Chemical Society","2007","129","","5376","5377","10.1021/ja071380s","","","0.71073","MoKα","","0.0328","0.0268","","","0.0625","0.0659","","","","","","1.026","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109367","14.4586","0.0004","20.9241","0.001","13.0389","0.0005","90","","91.641","0.002","90","","3943.1","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Br N3 O -","- C22 H22 Br N3 O -","- C176 H176 Br8 N24 O8 -","8","2","","Hongjun Ren; Guillaume Dunet; Peter Mayer; Paul Knochel","Highly Diastereoselective Synthesis of Homoallylic Alcohols Bearing Adjacent Quaternary Centers Using Substituted Allylic Zinc Reagents","Journal of the American Chemical Society","2007","129","","5376","5377","10.1021/ja071380s","","","0.71073","MoKα","","0.0738","0.0406","","","0.0752","0.0863","","","","","","1.035","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109368","11.3353","0.0003","18.1292","0.0006","18.4996","0.0006","103.686","0.001","103.877","0.001","101.685","0.001","3447.78","0.19","111","2","111","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H64 N P2 Re Si2 -","- C31.25 H58 N P2 Re Si2 -","- C125 H232 N4 P8 Re4 Si8 -","4","2","","Oleg V. Ozerov; Lori A. Watson; Maren Pink; Kenneth G. Caulton","Operationally Unsaturated Pincer/Rhenium Complexes Form Metal Carbenes from Cycloalkenes and Metal Carbynes from Alkanes","Journal of the American Chemical Society","2007","129","","6003","6016","10.1021/ja062327r","","","0.71073","MoKα","","0.0496","0.0286","","","0.0572","0.0653","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109369","10.6899","0.0002","11.663","0.0003","16.4431","0.0004","78.732","0.001","85.921","0.001","68.273","0.001","1867.71","0.08","115","2","115","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H68 N P2 Re Si2 -","- C35 H68 N P2 Re Si2 -","- C70 H136 N2 P4 Re2 Si4 -","2","1","","Oleg V. Ozerov; Lori A. Watson; Maren Pink; Kenneth G. Caulton","Operationally Unsaturated Pincer/Rhenium Complexes Form Metal Carbenes from Cycloalkenes and Metal Carbynes from Alkanes","Journal of the American Chemical Society","2007","129","","6003","6016","10.1021/ja062327r","","","0.71073","MoKα","","0.0263","0.0216","","","0.0498","0.0521","","","","","","1.025","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4109370","12.4472","0.0007","35.944","0.002","8.7929","0.0005","90","","91.507","0.001","90","","3932.6","0.4","115","2","115","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H71 N P2 Re Si2 -","- C36 H71 N P2 Re Si2 -","- C144 H284 N4 P8 Re4 Si8 -","4","1","","Oleg V. Ozerov; Lori A. Watson; Maren Pink; Kenneth G. Caulton","Operationally Unsaturated Pincer/Rhenium Complexes Form Metal Carbenes from Cycloalkenes and Metal Carbynes from Alkanes","Journal of the American Chemical Society","2007","129","","6003","6016","10.1021/ja062327r","","","0.71073","MoKα","","0.0617","0.0415","","","0.0791","0.0849","","","","","","1.192","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4109371","9.5377","0.0002","17.6915","0.0004","18.1246","0.0004","90","","93.426","0.001","90","","3052.81","0.12","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H56 N P2 Re Si2 -","- C25 H56 N P2 Re Si2 -","- C100 H224 N4 P8 Re4 Si8 -","4","1","","Oleg V. Ozerov; Lori A. Watson; Maren Pink; Kenneth G. Caulton","Operationally Unsaturated Pincer/Rhenium Complexes Form Metal Carbenes from Cycloalkenes and Metal Carbynes from Alkanes","Journal of the American Chemical Society","2007","129","","6003","6016","10.1021/ja062327r","","","0.71073","MoKα","","0.0202","0.017","","","0.0424","0.0439","","","","","","1.059","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4109372","4.8834","0.0012","2.9197","0.0019","9.243","0.004","90","","88.82","0.03","90","","131.76","0.11","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Co0.012 H2 Ni0.988 O2 -","- Co0.012 H1.06 Ni0.988 O2 -","- Co0.048 H4.24 Ni3.952 O8 -","4","0.5","","Montse Casas-Cabanas; Jesús Canales-Vázquez; Juan Rodríguez-Carvajal; M. Rosa Palacín","Deciphering the Structural Transformations during Nickel Oxyhydroxide Electrode Operation","Journal of the American Chemical Society","2007","129","","5840","5842","10.1021/ja068433a","powder diffraction","neutron","1.2244","ConstantWavelengthNeutronDiffraction","","","","","","","","","2.683","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109373","6.7152","0.0003","15.2227","0.0007","19.6615","0.0009","89.651","0.002","88.84","0.002","79.481","0.002","1975.68","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 S4 Si2 -","- C24 H30 S4 Si2 -","- C72 H90 S12 Si6 -","3","1.5","","Haiyan Li; Anand Sundararaman; Krishnan Venkatasubbaiah; Frieder Jäkle","Organoborane Acceptor-Substituted Polythiophene via Side-Group Borylation","Journal of the American Chemical Society","2007","129","","5792","5793","10.1021/ja068771b","","","1.54178","CuKα","","0.0278","0.026","","","0.0701","0.0714","","","","","","1.045","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109374","8.3469","0.0001","11.5463","0.0002","13.6888","0.0002","100.787","0.001","90.246","0.001","98.711","0.001","1280.28","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H57 B2 Cl3 S4 -","- C55 H57 B2 Cl3 S4 -","- C55 H57 B2 Cl3 S4 -","1","0.5","","Haiyan Li; Anand Sundararaman; Krishnan Venkatasubbaiah; Frieder Jäkle","Organoborane Acceptor-Substituted Polythiophene via Side-Group Borylation","Journal of the American Chemical Society","2007","129","","5792","5793","10.1021/ja068771b","","","1.54178","CuKα","","0.0404","0.0365","","","0.0957","0.0986","","","","","","1.029","","","","has coordinates,has disorder","178839","2020-10-21","18:00:00",""
"4109375","11.6923","0.0006","15.7382","0.0008","16.8933","0.0009","90","","106.055","0.001","90","","2987.4","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H36 Cl2 Hg N2 O10 S2 -","- C23 H36 Cl2 Hg N2 O10 S2 -","- C92 H144 Cl8 Hg4 N8 O40 S8 -","4","1","","Elizabeth M. Nolan; Stephen J. Lippard","Turn-On and Ratiometric Mercury Sensing in Water with a Red-Emitting Probe","Journal of the American Chemical Society","2007","129","","5910","5918","10.1021/ja068879r","","","0.71073","MoKα","","0.0255","0.023","","","0.0559","0.0575","","","","","","1.042","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109376","9.554","0.004","21.121","0.008","14.52","0.006","90","","103.265","0.007","90","","2852","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Cl2 Hg N6 O8 -","- C26 H28 Cl2 Hg N6 O8 -","- C104 H112 Cl8 Hg4 N24 O32 -","4","1","","Elizabeth M. Nolan; Stephen J. Lippard","Turn-On and Ratiometric Mercury Sensing in Water with a Red-Emitting Probe","Journal of the American Chemical Society","2007","129","","5910","5918","10.1021/ja068879r","","","0.71073","MoKα","","0.0562","0.0405","","","0.0749","0.0799","","","","","","1.093","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109377","16.8241","0.0012","17.8745","0.0012","20.1482","0.0014","95.65","0.001","93.092","0.001","97.816","0.001","5959.6","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C200 H184 Hg4 N20.8 Nd12 O6 Se30 -","- C200 H184 Hg4 N20.8 Nd12 O6 Se30 -","- C200 H184 Hg4 N20.8 Nd12 O6 Se30 -","1","0.5","","Santanu Banerjee; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Oxoclusters of the Lanthanides Begin to Resemble Solid-State Materials at Very Small Cluster Sizes: Structure and NIR Emission from Nd(III)","Journal of the American Chemical Society","2007","129","","5926","5931","10.1021/ja069000a","","","0.71073","MoKα","","0.1137","0.0655","","","0.1746","0.1922","","","","","","1.031","","","","has coordinates,has disorder","178839","2020-10-21","18:00:00",""
"4109378","13.5714","0.0002","7.3787","0.0001","19.5966","0.0004","90","","104.157","0.001","90","","1902.79","0.06","120","1","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H27 N O2 S Si -","- C18 H27 N O2 S Si -","- C72 H108 N4 O8 S4 Si4 -","4","1","","Florian Monnier; Chloé Vovard-Le Bray; Dante Castillo; Vincent Aubert; Sylvie Dérien; Pierre H. Dixneuf; Loic Toupet; Andrea Ienco; Carlo Mealli","Selective Ruthenium-Catalyzed Transformations of Enynes with Diazoalkanes into Alkenylbicyclo[3.1.0]hexanes","Journal of the American Chemical Society","2007","129","","6037","6049","10.1021/ja0700146","","","0.71069","MoKα","","0.066","0.0509","","","0.1426","0.1579","","","","","","1.02","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109379","12.556","0.0002","12.583","0.0002","13.036","0.0002","90","","100.506","0.001","90","","2025.06","0.06","130","1","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H29 N O2 S Si -","- C20 H29 N O2 S Si -","- C80 H116 N4 O8 S4 Si4 -","4","1","","Florian Monnier; Chloé Vovard-Le Bray; Dante Castillo; Vincent Aubert; Sylvie Dérien; Pierre H. Dixneuf; Loic Toupet; Andrea Ienco; Carlo Mealli","Selective Ruthenium-Catalyzed Transformations of Enynes with Diazoalkanes into Alkenylbicyclo[3.1.0]hexanes","Journal of the American Chemical Society","2007","129","","6037","6049","10.1021/ja0700146","","","0.71069","MoKα","","0.0415","0.0376","","","0.1024","0.1063","","","","","","1.056","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109380","18.624","0.004","8.143","0.004","29.188","0.007","90","","104.63","0.02","90","","4283","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C184 H200 N8 O32 S8 -","8","2","","Florian Monnier; Chloé Vovard-Le Bray; Dante Castillo; Vincent Aubert; Sylvie Dérien; Pierre H. Dixneuf; Loic Toupet; Andrea Ienco; Carlo Mealli","Selective Ruthenium-Catalyzed Transformations of Enynes with Diazoalkanes into Alkenylbicyclo[3.1.0]hexanes","Journal of the American Chemical Society","2007","129","","6037","6049","10.1021/ja0700146","","","0.71069","MoKα","","0.2309","0.0895","","","0.2064","0.2784","","","","","","0.966","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109381","27.4366","0.0018","16.311","0.0011","13.6021","0.0009","90","","90","","90","","6087.2","0.7","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C33 H35 N O4 S2 -","- C33 H35 N O4 S2 -","- C264 H280 N8 O32 S16 -","8","1","","Sabrina Castellano; Hannah D. G. Fiji; Sape S. Kinderman; Masaru Watanabe; Pablo de Leon; Fuyuhiko Tamanoi; Ohyun Kwon","Small-Molecule Inhibitors of Protein Geranylgeranyltransferase Type I","Journal of the American Chemical Society","2007","129","","5843","5845","10.1021/ja070274n","","","0.71073","MoKα","","0.0737","0.0524","","","0.1398","0.1547","","","","","","1.076","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109382","10.5254","0.0012","11.5269","0.0013","20.031","0.002","90","","98.234","0.002","90","","2405.2","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N O4 S2 -","- C26 H27 N O4 S2 -","- C104 H108 N4 O16 S8 -","4","1","","Sabrina Castellano; Hannah D. G. Fiji; Sape S. Kinderman; Masaru Watanabe; Pablo de Leon; Fuyuhiko Tamanoi; Ohyun Kwon","Small-Molecule Inhibitors of Protein Geranylgeranyltransferase Type I","Journal of the American Chemical Society","2007","129","","5843","5845","10.1021/ja070274n","","","0.71073","MoKα","","0.0529","0.0349","","","0.0842","0.092","","","","","","1.031","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109383","12.123","0.002","12.451","0.003","17.383","0.004","99.53","0.03","93.1","0.03","96.14","0.03","2565.9","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H77 Mo6 N3 O18 -","- C35 H77 Mo6 N3 O18 -","- C70 H154 Mo12 N6 O36 -","2","1","","Qiang Li; Yongge Wei; Jian Hao; Yulin Zhu; Longsheng Wang","Unexpected CC Bond Formation via Doubly Dehydrogenative Coupling of Two Saturated sp3 C-H Bonds Activated with a Polymolybdate","Journal of the American Chemical Society","2007","129","","5810","5811","10.1021/ja070600z","","","0.71073","MoKα","","0.0469","0.0334","","","0.0856","0.0936","","","","","","1.08","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109384","11.875","0.002","12.894","0.003","18.939","0.004","76.39","0.03","89.96","0.03","80.54","0.03","2777.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H79 Mo6 N3 O18 -","- C36.5 H79 Mo6 N3 O18 -","- C73 H158 Mo12 N6 O36 -","2","1","","Qiang Li; Yongge Wei; Jian Hao; Yulin Zhu; Longsheng Wang","Unexpected CC Bond Formation via Doubly Dehydrogenative Coupling of Two Saturated sp3 C-H Bonds Activated with a Polymolybdate","Journal of the American Chemical Society","2007","129","","5810","5811","10.1021/ja070600z","","","0.71073","MoKα","","0.1313","0.0611","","","0.1564","0.1871","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109385","9.0366","0.0005","17.4393","0.0009","11.3378","0.0006","90","","109.701","0.001","90","","1682.16","0.16","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C24 H30 O12 P Pt Re3 -","- C24 H30 O12 P Pt Re3 -","- C48 H60 O24 P2 Pt2 Re6 -","2","0.5","","Richard D. Adams; Burjor Captain; Mark D. Smith; Chad Beddie; Michael B. Hall","Unsaturated Platinum-Rhenium Cluster Complexes. Synthesis, Structures and Reactivity","Journal of the American Chemical Society","2007","129","","5981","5991","10.1021/ja070773o","","","0.71073","MoKα","","0.051","0.04","","","0.0864","0.0911","","","","","","1.062","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109386","27.395","0.003","14.3333","0.0016","19.087","0.002","90","","130.348","0.002","90","","5711.9","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H29 O9 P Pt Re2 -","- C21 H29 O9 P Pt Re2 -","- C168 H232 O72 P8 Pt8 Re16 -","8","1","","Richard D. Adams; Burjor Captain; Mark D. Smith; Chad Beddie; Michael B. Hall","Unsaturated Platinum-Rhenium Cluster Complexes. Synthesis, Structures and Reactivity","Journal of the American Chemical Society","2007","129","","5981","5991","10.1021/ja070773o","","","0.71073","MoKα","","0.0469","0.0385","","","0.0988","0.1083","","","","","","1.024","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109387","15.2359","0.0014","15.2464","0.0014","50.847","0.005","90","","90","","90","","11811.4","1.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H54 O7 P2 Pt2 Re2 -","- C31 H54 O7 P2 Pt2 Re2 -","- C372 H648 O84 P24 Pt24 Re24 -","12","3","","Richard D. Adams; Burjor Captain; Mark D. Smith; Chad Beddie; Michael B. Hall","Unsaturated Platinum-Rhenium Cluster Complexes. Synthesis, Structures and Reactivity","Journal of the American Chemical Society","2007","129","","5981","5991","10.1021/ja070773o","","","0.71073","MoKα","","0.0853","0.0734","","","0.1747","0.1832","","","","","","1.057","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109388","14.7121","0.0009","17.2332","0.0011","17.1146","0.0011","90","","105.002","0.001","90","","4191.3","0.5","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H59 Cl O7 P2 Pt2 Re2 -","- C31.5 H59 Cl O7 P2 Pt2 Re2 -","- C126 H236 Cl4 O28 P8 Pt8 Re8 -","4","1","","Richard D. Adams; Burjor Captain; Mark D. Smith; Chad Beddie; Michael B. Hall","Unsaturated Platinum-Rhenium Cluster Complexes. Synthesis, Structures and Reactivity","Journal of the American Chemical Society","2007","129","","5981","5991","10.1021/ja070773o","","","0.71073","MoKα","","0.0247","0.0198","","","0.0467","0.0493","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109389","9.0728","0.0004","10.2568","0.0005","11.5861","0.0006","95.204","0.001","97.889","0.001","101.259","0.001","1039.73","0.09","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H58 O8 P2 Pt2 Re2 -","- C32 H58 O8 P2 Pt2 Re2 -","- C32 H58 O8 P2 Pt2 Re2 -","1","0.5","","Richard D. Adams; Burjor Captain; Mark D. Smith; Chad Beddie; Michael B. Hall","Unsaturated Platinum-Rhenium Cluster Complexes. Synthesis, Structures and Reactivity","Journal of the American Chemical Society","2007","129","","5981","5991","10.1021/ja070773o","","","0.71073","MoKα","","0.0227","0.02","","","0.0497","0.0507","","","","","","1.078","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109390","15.678","0.003","14.8","0.003","21.393","0.004","90","","107.201","0.005","90","","4741.9","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 Cl2 F12 N4 O -","- C52 H36 Cl1.8 F12 N4 O -","- C208 H144 Cl7.2 F48 N16 O4 -","4","1","","Chao Liu; Dong-Mei Shen; Qing-Yun Chen","Synthesis and Reactions of 20 π-Electron β-Tetrakis(trifluoromethyl)-meso-tetraphenylporphyrins","Journal of the American Chemical Society","2007","129","","5814","5815","10.1021/ja070855c","","","0.71073","MoKα","","0.2682","0.0993","","","0.2409","0.3135","","","","","","0.846","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109391","10.596","0.002","20.027","0.004","11.671","0.002","90","","91.524","0.004","90","","2475.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C52 H38 Cl2 F12 N4 O -","- C52 H38 Cl2 F12 N4 O -","- C104 H76 Cl4 F24 N8 O2 -","2","0.5","","Chao Liu; Dong-Mei Shen; Qing-Yun Chen","Synthesis and Reactions of 20 π-Electron β-Tetrakis(trifluoromethyl)-meso-tetraphenylporphyrins","Journal of the American Chemical Society","2007","129","","5814","5815","10.1021/ja070855c","","","0.71073","MoKα","","0.1477","0.0841","","","0.2366","0.2709","","","","","","0.954","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109392","14.44","0.015","22.28","0.02","15.994","0.016","90","","101.61","0.02","90","","5040","9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H38 Cl2 F12 N4 -","- C53 H36 Cl2 F12 N4 -","- C212 H144 Cl8 F48 N16 -","4","1","","Chao Liu; Dong-Mei Shen; Qing-Yun Chen","Synthesis and Reactions of 20 π-Electron β-Tetrakis(trifluoromethyl)-meso-tetraphenylporphyrins","Journal of the American Chemical Society","2007","129","","5814","5815","10.1021/ja070855c","","","0.71073","MoKα","","0.2013","0.0876","","","0.2261","0.278","","","","","","0.911","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109393","11.6538","0.0009","9.9677","0.0007","17.1839","0.0012","90","","96.481","0.002","90","","1983.4","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H26 F12 N4 Ni -","- C48 H26 F12 N4 Ni -","- C96 H52 F24 N8 Ni2 -","2","1","","Chao Liu; Dong-Mei Shen; Qing-Yun Chen","Synthesis and Reactions of 20 π-Electron β-Tetrakis(trifluoromethyl)-meso-tetraphenylporphyrins","Journal of the American Chemical Society","2007","129","","5814","5815","10.1021/ja070855c","","","0.71073","MoKα","","0.0902","0.0568","","","0.0932","0.108","","","","","","0.735","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109394","10.8654","0.0014","9.8741","0.0012","11.9102","0.0014","90","","91.465","0.002","90","","1277.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Co N2 O5 -","- C12 H10 Co N2 O5 -","- C48 H40 Co4 N8 O20 -","4","1","","Jarrod F. Eubank; Victor Ch. Kravtsov; Mohamed Eddaoudi","Synthesis of Organic Photodimeric Cage Molecules Based on Cycloaddition via Metal-Ligand Directed Assembly","Journal of the American Chemical Society","2007","129","","5820","5821","10.1021/ja070924n","","","0.71073","MoKα","","0.0615","0.0499","","","0.1334","0.1406","","","","","","1.003","","","","has coordinates,has disorder","178839","2020-10-21","18:00:00",""
"4109395","8.738","0.003","10.188","0.004","10.76","0.004","63.08","0.007","83.713","0.008","76.77","0.007","831.4","0.5","571","2","571","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Cu N2 O7 -","- C17 H14 Cu N2 O7 -","- C34 H28 Cu2 N4 O14 -","2","1","","Jarrod F. Eubank; Victor Ch. Kravtsov; Mohamed Eddaoudi","Synthesis of Organic Photodimeric Cage Molecules Based on Cycloaddition via Metal-Ligand Directed Assembly","Journal of the American Chemical Society","2007","129","","5820","5821","10.1021/ja070924n","","","0.71073","MoKα","","0.0999","0.0597","","","0.0913","0.1033","","","","","","0.939","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109396","8.586","0.002","9.954","0.003","10.576","0.003","62.738","0.004","87.681","0.004","77.07","0.004","781.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H4 Cu N2 O7 -","- C17 H14 Cu N2 O7 -","- C34 H28 Cu2 N4 O14 -","2","1","","Jarrod F. Eubank; Victor Ch. Kravtsov; Mohamed Eddaoudi","Synthesis of Organic Photodimeric Cage Molecules Based on Cycloaddition via Metal-Ligand Directed Assembly","Journal of the American Chemical Society","2007","129","","5820","5821","10.1021/ja070924n","","","0.71073","MoKα","","0.1449","0.0543","","","0.0953","0.1383","","","","","","1.003","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109397","7.729","0.003","8.805","0.003","9.393","0.003","62.493","0.006","81.809","0.006","68.261","0.006","526.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H12 Cu O11 -","- C7 H12 Cu O11 -","- C14 H24 Cu2 O22 -","2","1","","Jarrod F. Eubank; Victor Ch. Kravtsov; Mohamed Eddaoudi","Synthesis of Organic Photodimeric Cage Molecules Based on Cycloaddition via Metal-Ligand Directed Assembly","Journal of the American Chemical Society","2007","129","","5820","5821","10.1021/ja070924n","","","0.71073","MoKα","","0.0862","0.0525","","","0.125","0.1456","","","","","","1.001","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109398","7.297","0.003","16.347","0.007","11.99","0.004","90","","126.824","0.017","90","","1144.9","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 Na2 O22 -","- C14 H26 Na2 O22 -","- C28 H52 Na4 O44 -","2","0.5","","Jarrod F. Eubank; Victor Ch. Kravtsov; Mohamed Eddaoudi","Synthesis of Organic Photodimeric Cage Molecules Based on Cycloaddition via Metal-Ligand Directed Assembly","Journal of the American Chemical Society","2007","129","","5820","5821","10.1021/ja070924n","","","0.71073","MoKα","","0.0653","0.0613","","","0.1615","0.1645","","","","","","1.009","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109399","5.8325","0.0013","11.574","0.003","19.466","0.004","90","","97.913","0.003","90","","1301.5","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","","Leilani L. Welbes; Thomas W. Lyons; Katie A. Cychosz; Melanie S. Sanford","Synthesis of Cyclopropanes via Pd(II/IV)-Catalyzed Reactions of Enynes","Journal of the American Chemical Society","2007","129","","5836","5837","10.1021/ja071204j","","","0.71073","MoKα","","0.0501","0.0358","","","0.0942","0.1044","","","","","","1.045","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109400","9.1687","0.0015","11.3315","0.0019","11.5459","0.0019","90","","102.627","0.002","90","","1170.5","0.3","108","2","108","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Leilani L. Welbes; Thomas W. Lyons; Katie A. Cychosz; Melanie S. Sanford","Synthesis of Cyclopropanes via Pd(II/IV)-Catalyzed Reactions of Enynes","Journal of the American Chemical Society","2007","129","","5836","5837","10.1021/ja071204j","","","0.71073","MoKα","","0.0734","0.0557","","","0.1618","0.1749","","","","","","1.066","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109401","19.42","0.003","25.613","0.004","24.874","0.004","90","","97.498","0.003","90","","12267","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H96 Cr2 N24 Zn3 -","- C108 H96 Cr2 N24 Zn3 -","- C432 H384 Cr8 N96 Zn12 -","4","1","","Mikhail Shatruk; Alina Dragulescu-Andrasi; Kristen Chambers; Sebastian A. Stoian; Emile L. Bominaar; Catalina Achim; Kim R. Dunbar","Properties of Prussian Blue Materials Manifested in Molecular Complexes: Observation of Cyanide Linkage Isomerism and Spin-Crossover Behavior in Pentanuclear Cyanide Clusters","Journal of the American Chemical Society","2007","129","","6104","6116","10.1021/ja066273x","","","0.71073","MoKα","","0.1395","0.063","","","0.1312","0.1417","","","","","","1","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109402","19.425","0.003","25.331","0.004","24.729","0.004","90","","98.142","0.003","90","","12045","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H96 Fe2 N24 Zn3 -","- C108 H96 Fe2 N24 Zn3 -","- C432 H384 Fe8 N96 Zn12 -","4","1","","Mikhail Shatruk; Alina Dragulescu-Andrasi; Kristen Chambers; Sebastian A. Stoian; Emile L. Bominaar; Catalina Achim; Kim R. Dunbar","Properties of Prussian Blue Materials Manifested in Molecular Complexes: Observation of Cyanide Linkage Isomerism and Spin-Crossover Behavior in Pentanuclear Cyanide Clusters","Journal of the American Chemical Society","2007","129","","6104","6116","10.1021/ja066273x","","","0.71073","MoKα","","0.1488","0.0727","","","0.1582","0.172","","","","","","1.072","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109403","18.967","0.005","24.818","0.007","24.44","0.006","90","","97.682","0.006","90","","11401","5","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C108 H96 Fe5 N24 -","- C108 H96 Fe5 N24 -","- C432 H384 Fe20 N96 -","4","1","","Mikhail Shatruk; Alina Dragulescu-Andrasi; Kristen Chambers; Sebastian A. Stoian; Emile L. Bominaar; Catalina Achim; Kim R. Dunbar","Properties of Prussian Blue Materials Manifested in Molecular Complexes: Observation of Cyanide Linkage Isomerism and Spin-Crossover Behavior in Pentanuclear Cyanide Clusters","Journal of the American Chemical Society","2007","129","","6104","6116","10.1021/ja066273x","","","0.71073","MoKα","","0.2027","0.0877","","","0.187","0.2061","","","","","","0.981","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109404","19.113","0.004","24.925","0.004","24.674","0.005","90","","98.108","0.005","90","","11637","4","30","2","30","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H96 Co2 Fe3 N24 -","- C108 H96 Co2 Fe3 N24 -","- C432 H384 Co8 Fe12 N96 -","4","1","","Mikhail Shatruk; Alina Dragulescu-Andrasi; Kristen Chambers; Sebastian A. Stoian; Emile L. Bominaar; Catalina Achim; Kim R. Dunbar","Properties of Prussian Blue Materials Manifested in Molecular Complexes: Observation of Cyanide Linkage Isomerism and Spin-Crossover Behavior in Pentanuclear Cyanide Clusters","Journal of the American Chemical Society","2007","129","","6104","6116","10.1021/ja066273x","","","0.71073","MoKα","","0.2143","0.1019","","","0.2354","0.2658","","","","","","0.889","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4109405","19.159","0.004","24.952","0.005","24.709","0.005","90","","97.938","0.004","90","","11699","4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H96 Co2 Fe3 N24 -","- C108 H96 Co2 Fe3 N24 -","- C432 H384 Co8 Fe12 N96 -","4","1","","Mikhail Shatruk; Alina Dragulescu-Andrasi; Kristen Chambers; Sebastian A. Stoian; Emile L. Bominaar; Catalina Achim; Kim R. Dunbar","Properties of Prussian Blue Materials Manifested in Molecular Complexes: Observation of Cyanide Linkage Isomerism and Spin-Crossover Behavior in Pentanuclear Cyanide Clusters","Journal of the American Chemical Society","2007","129","","6104","6116","10.1021/ja066273x","","","0.71073","MoKα","","0.1547","0.0798","","","0.1758","0.1929","","","","","","1.003","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4109406","19.241","0.016","25.1","0.03","24.89","0.03","90","","98.1","0.03","90","","11901","2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H96 Co2 Fe3 N24 -","- C108 H96 Co2 Fe3 N24 -","- C432 H384 Co8 Fe12 N96 -","4","1","","Mikhail Shatruk; Alina Dragulescu-Andrasi; Kristen Chambers; Sebastian A. Stoian; Emile L. Bominaar; Catalina Achim; Kim R. Dunbar","Properties of Prussian Blue Materials Manifested in Molecular Complexes: Observation of Cyanide Linkage Isomerism and Spin-Crossover Behavior in Pentanuclear Cyanide Clusters","Journal of the American Chemical Society","2007","129","","6104","6116","10.1021/ja066273x","","","0.71073","MoKα","","0.2132","0.0826","","","0.1721","0.1941","","","","","","0.988","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109407","19.485","0.014","25.326","0.018","25.145","0.02","90","","97.255","0.014","90","","12309","16","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H96 Co2 Fe3 N24 -","- C108 H96 Co2 Fe3 N24 -","- C432 H384 Co8 Fe12 N96 -","4","1","","Mikhail Shatruk; Alina Dragulescu-Andrasi; Kristen Chambers; Sebastian A. Stoian; Emile L. Bominaar; Catalina Achim; Kim R. Dunbar","Properties of Prussian Blue Materials Manifested in Molecular Complexes: Observation of Cyanide Linkage Isomerism and Spin-Crossover Behavior in Pentanuclear Cyanide Clusters","Journal of the American Chemical Society","2007","129","","6104","6116","10.1021/ja066273x","","","0.71073","MoKα","","0.2575","0.0933","","","0.2187","0.3095","","","","","","0.685","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109408","24.8535","0.0012","24.8535","0.0012","20.228","0.002","90","","90","","120","","10820.8","1.3","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C108 H96 Cr2 Fe3 N24 -","- C108 H96 Cr2 Fe3 N24 -","- C324 H288 Cr6 Fe9 N72 -","3","0.5","","Mikhail Shatruk; Alina Dragulescu-Andrasi; Kristen Chambers; Sebastian A. Stoian; Emile L. Bominaar; Catalina Achim; Kim R. Dunbar","Properties of Prussian Blue Materials Manifested in Molecular Complexes: Observation of Cyanide Linkage Isomerism and Spin-Crossover Behavior in Pentanuclear Cyanide Clusters","Journal of the American Chemical Society","2007","129","","6104","6116","10.1021/ja066273x","","","0.71073","MoKα","","0.1049","0.0818","","","0.2061","0.2199","","","","","","0.99","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109409","23.414","0.005","15.225","0.003","15.071","0.003","90","","108.03","0.03","90","","5109","2","253","2","253","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Cl N3 O3 Re S2 -","- C24 H21 Cl N3 O3 Re S2 -","- C192 H168 Cl8 N24 O24 Re8 S16 -","8","1","","Penny Ho-Man Lee; Chi-Chiu Ko; Nianyong Zhu; Vivian Wing-Wah Yam","Metal Coordination-Assisted Near-Infrared Photochromic Behavior: A Large Perturbation on Absorption Wavelength Properties of N,N-Donor Ligands Containing Diarylethene Derivatives by Coordination to the Rhenium(I) Metal Center","Journal of the American Chemical Society","2007","129","","6058","6059","10.1021/ja067425r","","","0.71073","MoKα","","0.0422","0.0272","","","0.0588","0.0613","","","","","","0.58","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109410","10.896","0.003","11.55","0.002","13.12","0.002","74.7","0.013","83.26","0.01","63.205","0.016","1421.6","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","[(CGC)Th[N(SiMe3)2]Cl]2","","","- C42 H90 Cl2 N4 Si6 Th2 -","- C42 H90 Cl2 N4 Si6 Th2 -","- C42 H90 Cl2 N4 Si6 Th2 -","1","0.5","","Bryan D. Stubbert; Tobin J. Marks","Mechanistic Investigation of Intramolecular Aminoalkene and Aminoalkyne Hydroamination/Cyclization Catalyzed by Highly Electrophilic, Tetravalent Constrained Geometry 4d and 5f Complexes. Evidence for an M-N σ-Bonded Insertive Pathway","Journal of the American Chemical Society","2007","129","","6149","6167","10.1021/ja0675898","","","0.71073","MoKα","","0.0206","0.02","","","0.0532","0.0535","","","","","","1.076","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109411","8.9653","0.0008","11.9961","0.0015","13.5399","0.001","99.175","0.007","90.657","0.009","95.203","0.008","1431.1","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","(CGC)U[N(SiMe3)2]Cl","","","- C21 H45 Cl N2 Si3 U -","- C21 H45 Cl N2 Si3 U -","- C42 H90 Cl2 N4 Si6 U2 -","2","1","","Bryan D. Stubbert; Tobin J. Marks","Mechanistic Investigation of Intramolecular Aminoalkene and Aminoalkyne Hydroamination/Cyclization Catalyzed by Highly Electrophilic, Tetravalent Constrained Geometry 4d and 5f Complexes. Evidence for an M-N σ-Bonded Insertive Pathway","Journal of the American Chemical Society","2007","129","","6149","6167","10.1021/ja0675898","","","0.71073","MoKα","","0.0296","0.0274","","","0.0726","0.0738","","","","","","1.098","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109412","8.465","0.004","8.78","0.002","15.839","0.006","82.11","0.03","74.85","0.03","63.74","0.04","1018.7","0.8","153","2","153","2","","","","","","","","6","P -1","-P 1","2","(CGC)Zr(NMe2)(Cl)","","","- C17 H33 Cl N2 Si Zr -","- C17 H33 Cl N2 Si Zr -","- C34 H66 Cl2 N4 Si2 Zr2 -","2","1","","Bryan D. Stubbert; Tobin J. Marks","Mechanistic Investigation of Intramolecular Aminoalkene and Aminoalkyne Hydroamination/Cyclization Catalyzed by Highly Electrophilic, Tetravalent Constrained Geometry 4d and 5f Complexes. Evidence for an M-N σ-Bonded Insertive Pathway","Journal of the American Chemical Society","2007","129","","6149","6167","10.1021/ja0675898","","","0.71073","MoKα","","0.0515","0.0429","","","0.1067","0.1107","","","","","","1.097","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109413","9.929","0.006","10.039","0.007","32.12","0.02","90","","96.41","0.04","90","","3182","4","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(CGC)Th(NMe2)OAr","","","- C31 H54 N2 O Si Th -","- C31 H54 N2 O Si Th -","- C124 H216 N8 O4 Si4 Th4 -","4","1","","Bryan D. Stubbert; Tobin J. Marks","Mechanistic Investigation of Intramolecular Aminoalkene and Aminoalkyne Hydroamination/Cyclization Catalyzed by Highly Electrophilic, Tetravalent Constrained Geometry 4d and 5f Complexes. Evidence for an M-N σ-Bonded Insertive Pathway","Journal of the American Chemical Society","2007","129","","6149","6167","10.1021/ja0675898","","","0.71073","MoKα","","0.0954","0.0476","","","0.0875","0.1007","","","","","","0.937","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109414","6.1608","0.0012","8.56","0.0016","13.163","0.003","89.066","0.004","79.916","0.004","89.669","0.004","683.4","0.2","103","1","103","1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 N2 O6 -","- C12 H20 N2 O6 -","- C24 H40 N4 O12 -","2","1","","Maria J. Comin; Riad Agbaria; Tsipi Ben-Kasus; Mahmoud Huleihel; Chenzhong Liao; Guangyu Sun; Marc C. Nicklaus; Jeffrey R. Deschamps; Damon A. Parrish; Victor E. Marquez","Sculpting the Bicyclo[3.1.0]hexane Template of Carbocyclic Nucleosides to Improve Recognition by Herpes Thymidine Kinase","Journal of the American Chemical Society","2007","129","","6216","6222","10.1021/ja0688732","","","0.71073","MoKα","","0.0722","0.0508","","","0.1144","0.1236","","","","","","1.076","","","","has coordinates,has disorder","178840","2020-10-21","18:00:00",""
"4109415","9.7786","0.0009","26.342","0.002","13.4644","0.0012","90","","102.476","0.001","90","","3386.4","0.5","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 O5 -","- C18 H12 O4 -","- C144 H96 O32 -","8","1","","John D. Harris; Alan B. Oelkers; David R. Tyler","The Solvent Cage Effect: Is There a Spin Barrier to Recombination of Transition Metal Radicals?","Journal of the American Chemical Society","2007","129","","6255","6262","10.1021/ja069295s","","","0.71073","MoKα","","0.0508","0.0456","","","0.126","0.1295","","","","","","1.06","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109416","8.0966","0.0006","19.5568","0.0013","14.0294","0.001","90","","94.738","0.002","90","","2213.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 B Ir N6 O2 -","- C20 H26 B Ir N6 O2 -","- C80 H104 B4 Ir4 N24 O8 -","4","1","","Margarita Gómez; Margarita Paneque; Manuel L. Poveda; Eleuterio Alvarez","Transition Metal Migration upon Attempting the Wolff Rearrangement of an Ir(III) Five-Membered Metallacycle","Journal of the American Chemical Society","2007","129","","6092","6093","10.1021/ja070360n","","","0.71073","MoKα","","0.0741","0.0679","","","0.1623","0.1645","","","","","","1.027","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109417","20.463","0.002","13.6577","0.0016","7.9547","0.0009","90","","90","","90","","2223.2","0.4","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H26 B Ir N6 O3 -","- C20 H26 B Ir N6 O3 -","- C80 H104 B4 Ir4 N24 O12 -","4","0.5","","Margarita Gómez; Margarita Paneque; Manuel L. Poveda; Eleuterio Alvarez","Transition Metal Migration upon Attempting the Wolff Rearrangement of an Ir(III) Five-Membered Metallacycle","Journal of the American Chemical Society","2007","129","","6092","6093","10.1021/ja070360n","","","0.71073","MoKα","","0.082","0.0677","","","0.1224","0.1298","","","","","","1.067","","","","has coordinates,has disorder","178840","2020-10-21","18:00:00",""
"4109418","9.8412","0.0002","17.0571","0.0003","15.9482","0.0004","90","","99.163","0.001","90","","2642.94","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H32 B Ir N6 O3 -","- C25 H32 B Ir N6 O3 -","- C100 H128 B4 Ir4 N24 O12 -","4","2","","Margarita Gómez; Margarita Paneque; Manuel L. Poveda; Eleuterio Alvarez","Transition Metal Migration upon Attempting the Wolff Rearrangement of an Ir(III) Five-Membered Metallacycle","Journal of the American Chemical Society","2007","129","","6092","6093","10.1021/ja070360n","","","0.71073","MoKα","","0.0594","0.0462","","","0.101","0.1062","","","","","","1.01","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109419","9.7312","0.0009","27.14","0.002","18.5072","0.0017","90","","90.61","0.001","90","","4887.6","0.7","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H83 Cr O -","- C52 H83 Cr O -","- C208 H332 Cr4 O4 -","4","1","","Robert Wolf; Marcin Brynda; Chengbao Ni; Gary J. Long; Philip P. Power","Monomeric, Two-Coordinate, Univalent Chromium(I) Compounds: Steric Prevention of Metal-Metal Bond Formation","Journal of the American Chemical Society","2007","129","","6076","6077","10.1021/ja0710860","","","0.71073","MoKα","","0.0759","0.0668","","","0.1835","0.1877","","","","","","1.064","","","","has coordinates,has disorder","178840","2020-10-21","18:00:00",""
"4109420","9.4141","0.0013","18.655","0.003","28.054","0.004","90","","98.097","0.002","90","","4877.7","1.2","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H84 Cr P -","- C51 H84 Cr P -","- C204 H336 Cr4 P4 -","4","1","","Robert Wolf; Marcin Brynda; Chengbao Ni; Gary J. Long; Philip P. Power","Monomeric, Two-Coordinate, Univalent Chromium(I) Compounds: Steric Prevention of Metal-Metal Bond Formation","Journal of the American Chemical Society","2007","129","","6076","6077","10.1021/ja0710860","","","0.71073","MoKα","","0.061","0.0434","","","0.1269","0.1417","","","","","","0.942","","","","has coordinates,has disorder","178840","2020-10-21","18:00:00",""
"4109421","17.125","0.0005","13.972","0.0004","34.877","0.0009","90","","91.236","0.002","90","","8343.1","0.4","120","0.1","120","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Bis(1,4,7,10-tetraoxacyclododecane)lithium(I)] 1,1,3,3-tetra-tert-butyl-1,3-dimethyltrisilane-2-yl-2-ylide","","- C34 H74 Li O8 Si3 -","- C34 H74 Li O8 Si3 -","- C272 H592 Li8 O64 Si24 -","8","1","","Shigeyoshi Inoue; Masaaki Ichinohe; Akira Sekiguchi","Isolable Silylene Anion Radical: Structural Characteristics in the Solid State and in Solution","Journal of the American Chemical Society","2007","129","","6096","6097","10.1021/ja0711314","","","0.7107","MoKα","","0.0632","0.0479","","","0.1327","0.1446","","","","","","1.025","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109422","10.1425","0.0006","12.0361","0.0008","14.1564","0.0009","90","","90","","90","","1728.16","0.19","110","2","110","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C24 H48 F6 O10 P2 Pd S2 -","- C24 H48 F6 O10 P2 Pd S2 -","- C48 H96 F12 O20 P4 Pd2 S4 -","2","0.5","","Joaquín López-Serrano; Simon B. Duckett; Stuart Aiken; Karina Q. Almeida Leñero; Eite Drent; John P. Dunne; Denis Konya; Adrian C. Whitwood","Apara-Hydrogen Investigation of Palladium-Catalyzed Alkyne Hydrogenation","Journal of the American Chemical Society","2007","129","","6513","6527","10.1021/ja070331c","","","0.71073","MoKα","","0.0288","0.0272","","","0.0651","0.0658","","","","","","1.056","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109423","11.057","0.002","15.655","0.003","14.87","0.003","90","","109.911","0.004","90","","2420.1","0.8","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 Cl2 P2 Pd -","- C23 H38 Cl2 P2 Pd -","- C92 H152 Cl8 P8 Pd4 -","4","1","","Joaquín López-Serrano; Simon B. Duckett; Stuart Aiken; Karina Q. Almeida Leñero; Eite Drent; John P. Dunne; Denis Konya; Adrian C. Whitwood","Apara-Hydrogen Investigation of Palladium-Catalyzed Alkyne Hydrogenation","Journal of the American Chemical Society","2007","129","","6513","6527","10.1021/ja070331c","","","0.71073","MoKα","","0.0229","0.0204","","","0.0514","0.0525","","","","","","1.054","","","","has coordinates,has disorder","178840","2020-10-21","18:00:00",""
"4109424","14.8608","0.0015","16.6018","0.0016","14.8694","0.0015","90","","108.403","0.002","90","","3480.9","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H46 F6 O10 P2 Pd S2 -","- C25 H46 F6 O10 P2 Pd S2 -","- C100 H184 F24 O40 P8 Pd4 S8 -","4","1","","Joaquín López-Serrano; Simon B. Duckett; Stuart Aiken; Karina Q. Almeida Leñero; Eite Drent; John P. Dunne; Denis Konya; Adrian C. Whitwood","Apara-Hydrogen Investigation of Palladium-Catalyzed Alkyne Hydrogenation","Journal of the American Chemical Society","2007","129","","6513","6527","10.1021/ja070331c","","","0.71073","MoKα","","0.0351","0.026","","","0.0614","0.0646","","","","","","1.029","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109425","9.3612","0.0003","12.8616","0.0004","13.8655","0.0005","107.441","0.002","96.022","0.002","95.548","0.002","1569.36","0.09","150","","150","","","","","","","","C. Milios","5","P -1","-P 1","2","","","","- C26 H32 Mn3 N3 O13 -","- C26 H32 Mn3 N3 O13 -","- C52 H64 Mn6 N6 O26 -","2","1","","Constantinos J. Milios; Alina Vinslava; Wolfgang Wernsdorfer; Alessandro Prescimone; Peter A. Wood; Simon Parsons; Spyros P. Perlepes; George Christou; Euan K. Brechin","Spin Switching via Targeted Structural Distortion","Journal of the American Chemical Society","2007","129","","6547","6561","10.1021/ja070411g","","","0.71073","MoKα","","0.0527","0.0363","","0.1063","0.091","0.1063","","","","","","0.9648","","","","has coordinates","264242","2021-04-16","08:51:59",""
"4109426","13.486","0.003","14.882","0.003","20.822","0.004","82.87","0.03","85.73","0.03","76.51","0.03","4027.7","1.5","150","","150","","","","","","","","C. Milios CM2439","5","P -1","-P 1","2","","","","- C74 H102 Mn6 N6 O23 -","- C74 H102 Mn6 N6 O23 -","- C148 H204 Mn12 N12 O46 -","2","1","","Constantinos J. Milios; Alina Vinslava; Wolfgang Wernsdorfer; Alessandro Prescimone; Peter A. Wood; Simon Parsons; Spyros P. Perlepes; George Christou; Euan K. Brechin","Spin Switching via Targeted Structural Distortion","Journal of the American Chemical Society","2007","129","","6547","6561","10.1021/ja070411g","","","0.71073","MoKα","","0.0969","0.0512","","0.0352","0.0282","0.0282","","","","","","1.1073","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109427","12.4947","0.0009","13.2846","0.0009","14.5047","0.0011","71.488","0.004","82.305","0.004","68.687","0.004","2126.4","0.3","150","","150","","","","","","","","C. Milios","5","P -1","-P 1","2","","","","- C40 H52 Mn3 N3 O13 -","- C40 H52 Mn3 N3 O13 -","- C80 H104 Mn6 N6 O26 -","2","1","","Constantinos J. Milios; Alina Vinslava; Wolfgang Wernsdorfer; Alessandro Prescimone; Peter A. Wood; Simon Parsons; Spyros P. Perlepes; George Christou; Euan K. Brechin","Spin Switching via Targeted Structural Distortion","Journal of the American Chemical Society","2007","129","","6547","6561","10.1021/ja070411g","","","0.71073","MoKα","","0.0589","0.0339","","0.1033","0.0796","0.1033","","","","","","0.969","","","","has coordinates","264242","2021-04-16","08:52:08",""
"4109428","38.367","0.014","6.363","0.003","23.663","0.009","90","","100.016","0.008","90","","5689","4","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C51 H59 N2 O10 -","- C51 H59 N2 O10 -","- C204 H236 N8 O40 -","4","1","","Scott T. Phillips; Matthew D. Shair","Syntheses of the Eastern Halves of Ritterazines B, F, G, and H, Leading to Reassignment of the 5,5-Spiroketal Stereochemistry of Ritterazines B and F","Journal of the American Chemical Society","2007","129","","6589","6598","10.1021/ja0705487","","","0.71073","MoKα","","0.1219","0.1044","","","0.2785","0.2915","","","","","","1.111","","","","has coordinates,has disorder","178840","2020-10-21","18:00:00",""
"4109429","6.6933","0.0013","21.217","0.004","26.837","0.005","90","","90","","90","","3811.2","1.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H50 N2 O10 -","- C41 H50 N2 O10 -","- C164 H200 N8 O40 -","4","1","","Scott T. Phillips; Matthew D. Shair","Syntheses of the Eastern Halves of Ritterazines B, F, G, and H, Leading to Reassignment of the 5,5-Spiroketal Stereochemistry of Ritterazines B and F","Journal of the American Chemical Society","2007","129","","6589","6598","10.1021/ja0705487","","","0.71073","MoKα","","0.1969","0.0398","","","0.0591","0.0776","","","","","","0.646","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109430","6.4444","0.0001","10.941","0.0002","16.0581","0.0003","70.9653","0.001","89.3442","0.001","89.8008","0.001","1070.25","0.03","294","","294","","","","","","","","","5","P 1","P 1","1","","","","- C8 H6.4 Cl N O3.2 -","- C8 H6.4 Cl N O3.2 -","- C40 H32 Cl5 N5 O16 -","5","5","","Yi Wang; Hongming Li; Yong-Qiang Wang; Yan Liu; Bruce M. Foxman; Li Deng","Asymmetric Diels-Alder Reactions of 2-Pyrones with a Bifunctional Organic Catalyst","Journal of the American Chemical Society","2007","129","","6364","6365","10.1021/ja070859h","","","0.71073","MoKα","","0.0602","0.0492","","0.1298","0.1236","0.1298","","","","","","0.954","","","","has coordinates,has disorder","178840","2020-10-21","18:00:00",""
"4109431","8.1373","0.0002","8.1373","0.0002","13.013","0.0004","90","","90","","90","","861.66","0.04","294","","294","","","","","","","","","5","P 43","P 4cw","78","","","","- C8 H6 Cl N O3 -","- C8 H6 Cl N O3 -","- C32 H24 Cl4 N4 O12 -","4","1","","Yi Wang; Hongming Li; Yong-Qiang Wang; Yan Liu; Bruce M. Foxman; Li Deng","Asymmetric Diels-Alder Reactions of 2-Pyrones with a Bifunctional Organic Catalyst","Journal of the American Chemical Society","2007","129","","6364","6365","10.1021/ja070859h","","","0.71073","MoKα","","0.0315","0.029","","0.072","0.0712","0.072","","","","","","0.8536","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109432","11.348","0.004","6.44","0.002","13.186","0.005","90","","98.097","0.016","90","","954","0.6","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H26 I N O4 -","- C17 H26 I N O4 -","- C34 H52 I2 N2 O8 -","2","1","","Xin Jiang; Bo Liu; Sylvain Lebreton; Jef K. De Brabander","Total Synthesis and Structure Revision of the Marine Metabolite Palmerolide A","Journal of the American Chemical Society","2007","129","","6386","6387","10.1021/ja0715142","","","0.71069","MoKα","","0.042","0.0398","","","0.1072","0.1113","","","","","","0.84","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109433","8.3256","0.0005","15.1105","0.001","21.0117","0.0014","84.0995","0.0009","79.32","0.0009","78.8049","0.0009","2542","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H38 N P Ru -","- C27 H38 N P Ru -","- C108 H152 N4 P4 Ru4 -","4","2","","Matthew A. Rankin; Gabriele Schatte; Robert McDonald; Mark Stradiotto","Remarkably Facile and Reversible Ru-C(sp3) Bond Cleavage to Give a Reactive 16-Electron Cp*Ru(κ2-P,Carbene) Zwitterion","Journal of the American Chemical Society","2007","129","","6390","6391","10.1021/ja071684e","","","0.71073","MoKα","","0.0282","0.0247","","","0.0656","0.0691","","","","","","1.089","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109434","9.487","0.0017","11.844","0.002","16.851","0.004","98.505","0.01","101.4","0.008","107.029","0.009","1731.4","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H50 N P Ru Si -","- C39 H50 N P Ru Si -","- C78 H100 N2 P2 Ru2 Si2 -","2","1","","Matthew A. Rankin; Gabriele Schatte; Robert McDonald; Mark Stradiotto","Remarkably Facile and Reversible Ru-C(sp3) Bond Cleavage to Give a Reactive 16-Electron Cp*Ru(κ2-P,Carbene) Zwitterion","Journal of the American Chemical Society","2007","129","","6390","6391","10.1021/ja071684e","","","0.71073","MoKα","","0.0964","0.0631","","","0.1269","0.1436","","","","","","1.045","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109435","8.83","0.0003","10.96","0.0004","17.135","0.0005","87.246","0.002","83.675","0.002","69.536","0.002","1544.08","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H48 N3 P Ru -","- C34 H48 N3 P Ru -","- C68 H96 N6 P2 Ru2 -","2","1","","Matthew A. Rankin; Gabriele Schatte; Robert McDonald; Mark Stradiotto","Remarkably Facile and Reversible Ru-C(sp3) Bond Cleavage to Give a Reactive 16-Electron Cp*Ru(κ2-P,Carbene) Zwitterion","Journal of the American Chemical Society","2007","129","","6390","6391","10.1021/ja071684e","","","0.71073","MoKα","","0.0642","0.0459","","","0.0917","0.102","","","","","","1.043","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109436","9.3663","0.0009","16.4724","0.0015","23.583","0.002","107.988","0.001","93.323","0.002","100.872","0.001","3372.1","0.5","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H90 Cl2 N6 O2 Zn -","- C76 H90 Cl2 N6 O2 Zn -","- C152 H180 Cl4 N12 O4 Zn2 -","2","1","","Shigeru Yamaguchi; Taisuke Katoh; Hiroshi Shinokubo; Atsuhiro Osuka","Porphyrin Pincer Complexes: Peripherally Cyclometalated Porphyrins and Their Catalytic Activities Controlled by Central Metals","Journal of the American Chemical Society","2007","129","","6392","6393","10.1021/ja072218s","","","0.71073","MoKα","","0.057","0.0473","","","0.1226","0.132","","","","","","1.069","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109437","19.161","0.003","13.9554","0.0018","49.017","0.006","90","","90","","90","","13107","3","90","2","90","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C74 H81 Cl3 Cu N6 O Pd -","- C74 H81 Cl3 Cu N6 O Pd -","- C592 H648 Cl24 Cu8 N48 O8 Pd8 -","8","1","","Shigeru Yamaguchi; Taisuke Katoh; Hiroshi Shinokubo; Atsuhiro Osuka","Porphyrin Pincer Complexes: Peripherally Cyclometalated Porphyrins and Their Catalytic Activities Controlled by Central Metals","Journal of the American Chemical Society","2007","129","","6392","6393","10.1021/ja072218s","","","0.71073","MoKα","","0.1061","0.0779","","","0.2023","0.2175","","","","","","1.043","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109438","14.106","0.005","19.03","0.005","48.863","0.005","90","0.005","90","0.005","90","0.005","13117","6","90","2","90","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C76 H86 Cl3 N7 Pd -","- C76 H86 Cl3 N7 Pd -","- C608 H688 Cl24 N56 Pd8 -","8","1","","Shigeru Yamaguchi; Taisuke Katoh; Hiroshi Shinokubo; Atsuhiro Osuka","Porphyrin Pincer Complexes: Peripherally Cyclometalated Porphyrins and Their Catalytic Activities Controlled by Central Metals","Journal of the American Chemical Society","2007","129","","6392","6393","10.1021/ja072218s","","","0.71069","MoKα","","0.1125","0.0883","","","0.208","0.2219","","","","","","1.052","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109439","13.698","0.003","19.25","0.003","33.159","0.006","90","","91.498","0.004","90","","8741","3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79.67 H82.51 Cl17 N7.84 Ni Pd -","- C79.672 H82.508 Cl17 N7.836 Ni Pd -","- C318.688 H330.032 Cl68 N31.344 Ni4 Pd4 -","4","1","","Shigeru Yamaguchi; Taisuke Katoh; Hiroshi Shinokubo; Atsuhiro Osuka","Porphyrin Pincer Complexes: Peripherally Cyclometalated Porphyrins and Their Catalytic Activities Controlled by Central Metals","Journal of the American Chemical Society","2007","129","","6392","6393","10.1021/ja072218s","","","0.71073","MoKα","","0.1184","0.0998","","","0.2655","0.2816","","","","","","1.151","","","","has coordinates,has disorder","178840","2020-10-21","18:00:00",""
"4109440","13.3212","0.0012","7.5076","0.0007","18.8449","0.0017","90","","101.878","0.002","90","","1844.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl N O6 -","- C18 H22 Cl N O6 -","- C72 H88 Cl4 N4 O24 -","4","1","","Wen-Jian Qian; Wan-Guo Wei; Yong-Xia Zhang; Zhu-Jun Yao","Total Synthesis, Assignment of Absolute Stereochemistry, and Structural Revision of Chlorofusin","Journal of the American Chemical Society","2007","129","","6400","6401","10.1021/ja072225g","","","0.71073","MoKα","","0.1521","0.0761","","","0.1833","0.2196","","","","","","0.962","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109441","11.7466","0.001","11.9119","0.001","14.2135","0.0012","95.435","0.002","98.953","0.002","93.593","0.002","1949.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Cl N O6 -","- C18 H19 Cl N O6 -","- C72 H76 Cl4 N4 O24 -","4","2","","Wen-Jian Qian; Wan-Guo Wei; Yong-Xia Zhang; Zhu-Jun Yao","Total Synthesis, Assignment of Absolute Stereochemistry, and Structural Revision of Chlorofusin","Journal of the American Chemical Society","2007","129","","6400","6401","10.1021/ja072225g","","","0.71073","MoKα","","0.1756","0.0674","","","0.1645","0.2122","","","","","","0.815","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109442","9.0821","0.001","9.2067","0.001","16.5767","0.0018","83.235","0.002","76.777","0.002","77.024","0.002","1311.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Cl N3 O11 -","- C25 H24 Cl N3 O11 -","- C50 H48 Cl2 N6 O22 -","2","1","","Wen-Jian Qian; Wan-Guo Wei; Yong-Xia Zhang; Zhu-Jun Yao","Total Synthesis, Assignment of Absolute Stereochemistry, and Structural Revision of Chlorofusin","Journal of the American Chemical Society","2007","129","","6400","6401","10.1021/ja072225g","","","0.71073","MoKα","","0.1167","0.065","","","0.1682","0.1999","","","","","","0.89","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109443","12.0794","0.001","14.4737","0.0012","15.115","0.0013","90","","94.749","0.002","90","","2633.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Cl N3 O11 -","- C25 H24 Cl N3 O11 -","- C100 H96 Cl4 N12 O44 -","4","1","","Wen-Jian Qian; Wan-Guo Wei; Yong-Xia Zhang; Zhu-Jun Yao","Total Synthesis, Assignment of Absolute Stereochemistry, and Structural Revision of Chlorofusin","Journal of the American Chemical Society","2007","129","","6400","6401","10.1021/ja072225g","","","0.71073","MoKα","","0.1119","0.0521","","","0.092","0.1076","","","","","","0.815","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109444","11.247","0.0003","32.831","0.0004","16.065","0.0004","90","","90","","90","","5932","0.2","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 N O4 Si -","- C34 H31 N O4 Si -","- C272 H248 N8 O32 Si8 -","8","2","","Masahiro Yamanaka; Junji Itoh; Kohei Fuchibe; Takahiko Akiyama","Chiral Brønsted Acid Catalyzed Enantioselective Mannich-Type Reaction","Journal of the American Chemical Society","2007","129","","6756","6764","10.1021/ja0684803","","","0.71073","MoKα","","0.0427","0.0379","","","0.1021","0.1052","","","","","","1.298","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109445","14.0332","0.0009","15.9112","0.0011","18.8817","0.0012","90","","90","","90","","4216","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H25 B N7 P Ru -","- C15 H25 B N7 P Ru -","- C120 H200 B8 N56 P8 Ru8 -","8","1","","Nicholas A. Foley; Marty Lail; John P. Lee; T. Brent Gunnoe; Thomas R. Cundari; Jeffrey L. Petersen","Comparative Reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3): Impact of Ancillary Ligand L on Activation of Carbon-Hydrogen Bonds Including Catalytic Hydroarylation and Hydrovinylation/Oligomerization of Ethylene","Journal of the American Chemical Society","2007","129","","6765","6781","10.1021/ja068542p","","","0.71073","MoKα","","0.0574","0.0435","","","0.1102","0.121","","","","","","1.045","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109446","18.9321","0.0011","13.6242","0.0007","15.8706","0.0009","90","","90.602","0.001","90","","4093.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 B Cl N7 P Ru -","- C14 H22 B Cl N7 P Ru -","- C112 H176 B8 Cl8 N56 P8 Ru8 -","8","2","","Nicholas A. Foley; Marty Lail; John P. Lee; T. Brent Gunnoe; Thomas R. Cundari; Jeffrey L. Petersen","Comparative Reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3): Impact of Ancillary Ligand L on Activation of Carbon-Hydrogen Bonds Including Catalytic Hydroarylation and Hydrovinylation/Oligomerization of Ethylene","Journal of the American Chemical Society","2007","129","","6765","6781","10.1021/ja068542p","","","0.71073","MoKα","","0.0542","0.0403","","","0.1035","0.1173","","","","","","1.116","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109447","9.8198","0.0009","13.232","0.0012","11.0184","0.001","90","","116.414","0.001","90","","1282.2","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H33 B N7 P Ru -","- C23 H33 B N7 P Ru -","- C46 H66 B2 N14 P2 Ru2 -","2","1","","Nicholas A. Foley; Marty Lail; John P. Lee; T. Brent Gunnoe; Thomas R. Cundari; Jeffrey L. Petersen","Comparative Reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3): Impact of Ancillary Ligand L on Activation of Carbon-Hydrogen Bonds Including Catalytic Hydroarylation and Hydrovinylation/Oligomerization of Ethylene","Journal of the American Chemical Society","2007","129","","6765","6781","10.1021/ja068542p","","","0.71073","MoKα","","0.0484","0.0449","","","0.1097","0.1123","","","","","","1.028","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109448","15.152","0.002","15.152","0.002","15.152","0.002","90","","90","","90","","3478.6","0.8","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au12.2 Ca3 In6.3 -","- Au12.168 Ca3 In6.298 -","- Au97.344 Ca24 In50.384 -","8","0.166667","","Qisheng Lin; John D. Corbett","Development of the Ca-Au-In Icosahedral Quasicrystal and Two Crystalline Approximants: Practice via Pseudogap Electronic Tuning","Journal of the American Chemical Society","2007","129","","6789","6797","10.1021/ja069143x","","","0.71073","MoKα","","0.0614","0.0498","","","0.1136","0.118","","","","","","1.079","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109449","24.632","0.003","24.632","0.003","24.632","0.003","90","","90","","90","","14945","3","293","2","293","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Au37 Ca12.6 In39.6 -","- Au37.003 Ca12.64 In39.609 -","- Au296.024 Ca101.12 In316.872 -","8","0.333333","","Qisheng Lin; John D. Corbett","Development of the Ca-Au-In Icosahedral Quasicrystal and Two Crystalline Approximants: Practice via Pseudogap Electronic Tuning","Journal of the American Chemical Society","2007","129","","6789","6797","10.1021/ja069143x","","","0.71073","MoKα","","0.098","0.0557","","","0.1242","0.1432","","","","","","1.023","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109450","8.6756","0.0008","15.8718","0.0014","18.6435","0.0016","72.523","0.001","82.943","0.002","85.424","0.002","2427.6","0.4","158","2","158","2","","","","","","","","5","P -1","-P 1","2","Ce12HOPO","","","- C20 H23 Ce N4 O11.5 -","- C20 H20 Ce N4 O11.5 -","- C80 H80 Ce4 N16 O46 -","4","2","","Anne E. V. Gorden; Jide Xu; Géza Szigethy; Allen Oliver; David K. Shuh; Kenneth N. Raymond","Characterization of a Mixed Salt of 1-Hydroxypyridin-2-one Pu(IV) Complexes1","Journal of the American Chemical Society","2007","129","","6674","6675","10.1021/ja070168l","","","0.71073","MoKα","","0.0456","0.0299","","","0.0677","0.0724","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109451","8.8065","0.0014","20.935","0.003","11.1771","0.0018","90","","91.779","0.002","90","","2059.7","0.6","293","2","446","2","","","","","","","","6","P 1 21 1","P 2yb","4","Plutonium(IV) 1,2-HOPO complex","","","- C35 H32 Cl N7 O20 Pu2 -","- C35 H32 Cl N7 O20 Pu2 -","- C70 H64 Cl2 N14 O40 Pu4 -","2","1","","Anne E. V. Gorden; Jide Xu; Géza Szigethy; Allen Oliver; David K. Shuh; Kenneth N. Raymond","Characterization of a Mixed Salt of 1-Hydroxypyridin-2-one Pu(IV) Complexes1","Journal of the American Chemical Society","2007","129","","6674","6675","10.1021/ja070168l","","","0.71073","synchrotron","","0.0316","0.0312","","","0.0795","0.0797","","","","","","1.034","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109452","9.3903","0.0014","12.4608","0.0019","16.996","0.003","90","","93.718","0.003","90","","1984.5","0.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H31 P -","- C22 H31 P -","- C88 H124 P4 -","4","1","","Natalia F. Blank; Jillian R. Moncarz; Tim J. Brunker; Corina Scriban; Brian J. Anderson; Omar Amir; David S. Glueck; Lev N. Zakharov; James A. Golen; Christopher D. Incarvito; Arnold L. Rheingold","Palladium-Catalyzed Asymmetric Phosphination. Scope, Mechanism, and Origin of Enantioselectivity","Journal of the American Chemical Society","2007","129","","6847","6858","10.1021/ja070225a","","","0.71073","MoKα","","0.1052","0.0687","","","0.1836","0.2056","","","","","","1.224","","","","has coordinates,has disorder","178840","2020-10-21","18:00:00",""
"4109453","14.0576","0.0015","14.3539","0.0015","15.6358","0.0016","90","","92.163","0.002","90","","3152.8","0.6","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C30 H32 D6 I N O2 P2 Pd -","- C30 H38 I N O2 P2 Pd -","- C120 H152 I4 N4 O8 P8 Pd4 -","4","2","","Natalia F. Blank; Jillian R. Moncarz; Tim J. Brunker; Corina Scriban; Brian J. Anderson; Omar Amir; David S. Glueck; Lev N. Zakharov; James A. Golen; Christopher D. Incarvito; Arnold L. Rheingold","Palladium-Catalyzed Asymmetric Phosphination. Scope, Mechanism, and Origin of Enantioselectivity","Journal of the American Chemical Society","2007","129","","6847","6858","10.1021/ja070225a","","","0.71073","MoKα","","0.0375","0.0331","","","0.0867","0.0901","","","","","","0.946","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109454","9.4976","0.0008","9.5461","0.0008","11.7991","0.001","90","","90.303","0.002","90","","1069.75","0.16","218","2","218","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H33 O P -","- C23 H33 O P -","- C46 H66 O2 P2 -","2","1","","Natalia F. Blank; Jillian R. Moncarz; Tim J. Brunker; Corina Scriban; Brian J. Anderson; Omar Amir; David S. Glueck; Lev N. Zakharov; James A. Golen; Christopher D. Incarvito; Arnold L. Rheingold","Palladium-Catalyzed Asymmetric Phosphination. Scope, Mechanism, and Origin of Enantioselectivity","Journal of the American Chemical Society","2007","129","","6847","6858","10.1021/ja070225a","","","0.71073","MoKα","","0.0612","0.0491","","","0.1328","0.1415","","","","","","0.79","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109455","9.0974","0.0008","16.3968","0.0014","13.6909","0.0012","90","","96.95","0.002","90","","2027.2","0.3","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H33 P -","- C23 H33 P -","- C92 H132 P4 -","4","1","","Natalia F. Blank; Jillian R. Moncarz; Tim J. Brunker; Corina Scriban; Brian J. Anderson; Omar Amir; David S. Glueck; Lev N. Zakharov; James A. Golen; Christopher D. Incarvito; Arnold L. Rheingold","Palladium-Catalyzed Asymmetric Phosphination. Scope, Mechanism, and Origin of Enantioselectivity","Journal of the American Chemical Society","2007","129","","6847","6858","10.1021/ja070225a","","","0.71073","MoKα","","0.082","0.0644","","","0.1862","0.2088","","","","","","0.988","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109456","9.8603","0.0009","16.3092","0.0015","14.0309","0.0013","90","","101.751","0.002","90","","2209.1","0.4","147","2","147","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H35 P -","- C24 H35 P -","- C96 H140 P4 -","4","1","","Natalia F. Blank; Jillian R. Moncarz; Tim J. Brunker; Corina Scriban; Brian J. Anderson; Omar Amir; David S. Glueck; Lev N. Zakharov; James A. Golen; Christopher D. Incarvito; Arnold L. Rheingold","Palladium-Catalyzed Asymmetric Phosphination. Scope, Mechanism, and Origin of Enantioselectivity","Journal of the American Chemical Society","2007","129","","6847","6858","10.1021/ja070225a","","","0.71073","MoKα","","0.0792","0.0541","","","0.145","0.1602","","","","","","1.014","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109457","9.53","0.0013","10.3374","0.0015","11.801","0.0017","72.103","0.003","87.885","0.003","87.702","0.003","1105.1","0.3","218","2","218","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H30 F3 P -","- C23 H30 F3 P -","- C46 H60 F6 P2 -","2","1","","Natalia F. Blank; Jillian R. Moncarz; Tim J. Brunker; Corina Scriban; Brian J. Anderson; Omar Amir; David S. Glueck; Lev N. Zakharov; James A. Golen; Christopher D. Incarvito; Arnold L. Rheingold","Palladium-Catalyzed Asymmetric Phosphination. Scope, Mechanism, and Origin of Enantioselectivity","Journal of the American Chemical Society","2007","129","","6847","6858","10.1021/ja070225a","","","0.71073","MoKα","","0.1033","0.09","","","0.2158","0.2246","","","","","","1.198","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109458","14.9713","0.001","9.4608","0.0006","15.0844","0.001","90","","102.237","0.001","90","","2088","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H33 O P -","- C23 H33 O P -","- C92 H132 O4 P4 -","4","2","","Natalia F. Blank; Jillian R. Moncarz; Tim J. Brunker; Corina Scriban; Brian J. Anderson; Omar Amir; David S. Glueck; Lev N. Zakharov; James A. Golen; Christopher D. Incarvito; Arnold L. Rheingold","Palladium-Catalyzed Asymmetric Phosphination. Scope, Mechanism, and Origin of Enantioselectivity","Journal of the American Chemical Society","2007","129","","6847","6858","10.1021/ja070225a","","","0.71073","MoKα","","0.04","0.0361","","","0.0924","0.0956","","","","","","1.013","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109459","12.332","0.004","17.224","0.005","13.244","0.004","90","","114.109","0.004","90","","2567.7","1.4","200","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H76 F3 O5 P3 Pd S -","- C49 H76 F3 O5 P3 Pd S -","- C98 H152 F6 O10 P6 Pd2 S2 -","2","1","","Natalia F. Blank; Jillian R. Moncarz; Tim J. Brunker; Corina Scriban; Brian J. Anderson; Omar Amir; David S. Glueck; Lev N. Zakharov; James A. Golen; Christopher D. Incarvito; Arnold L. Rheingold","Palladium-Catalyzed Asymmetric Phosphination. Scope, Mechanism, and Origin of Enantioselectivity","Journal of the American Chemical Society","2007","129","","6847","6858","10.1021/ja070225a","","","0.71073","MoKα","","0.0686","0.0591","","","0.1151","0.1182","","","","","","1.138","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109460","6.1433","0.0019","16.535","0.007","18.466","0.008","65.844","0.01","86.374","0.015","89.887","0.018","1707.5","1.2","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C72 H88 N8 O12 -","4","2","","Jean-Philippe Ebran; Anders L. Hansen; Thomas M. Gøgsig; Troels Skrydstrup","Studies on the Heck Reaction with Alkenyl Phosphates: Can the 1,2-Migration Be Controlled? Scope and Limitations","Journal of the American Chemical Society","2007","129","","6931","6942","10.1021/ja070321b","","x-ray","0.71073","MoKα","","0.1292","0.0934","","","0.2789","0.3042","","","","","","1.088","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109461","10.823","0.003","13.265","0.004","23.208","0.006","105.6","0.005","100.232","0.005","91.152","0.005","3150","1.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H60 B4 Br4 N4 O17 -","- C56 H60 B4 Br4 N4 O17 -","- C112 H120 B8 Br8 N8 O34 -","2","1","","Eric P. Gillis; Martin D. Burke","A Simple and Modular Strategy for Small Molecule Synthesis: Iterative Suzuki-Miyaura Coupling of B-Protected Haloboronic Acid Building Blocks","Journal of the American Chemical Society","2007","129","","6716","6717","10.1021/ja0716204","","","0.71073","MoKα","","0.201","0.0635","","","0.154","0.1932","","","","","","0.919","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4109462","10.6813","0.0014","11.134","0.003","11.523","0.002","97.863","0.019","102.297","0.013","110.115","0.018","1223.9","0.5","","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H25 Cl2 Cu N5 O9 -","- C20 H25 Cl2 Cu N5 O9 -","- C40 H50 Cl4 Cu2 N10 O18 -","2","1","","Debabrata Maiti; Amy A. Narducci Sarjeant; Kenneth D. Karlin","Copper(II)-Hydroperoxo Complex Induced Oxidative N-Dealkylation Chemistry","Journal of the American Chemical Society","2007","129","","6720","6721","10.1021/ja0719024","","","0.71073","MoKα","","0.0462","0.0354","","","0.0924","0.0947","","","","","","1.048","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109463","11.4124","0.0002","18.2874","0.0003","20.1532","0.0003","90","","97.804","0.001","90","","4167.08","0.12","","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H21 B Cl Cu F20 N5 -","- C43 H21 B Cl Cu F20 N5 -","- C172 H84 B4 Cl4 Cu4 F80 N20 -","4","1","","Debabrata Maiti; Amy A. Narducci Sarjeant; Kenneth D. Karlin","Copper(II)-Hydroperoxo Complex Induced Oxidative N-Dealkylation Chemistry","Journal of the American Chemical Society","2007","129","","6720","6721","10.1021/ja0719024","","","0.71073","MoKα","","0.0585","0.0333","","","0.0795","0.0904","","","","","","1.092","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109464","13.033","0.002","13.274","0.002","20.406","0.003","90","","90","","90","","3530.2","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H22 N O3 P -","- C19 H22 N O3 P -","- C152 H176 N8 O24 P8 -","8","1","","Xue-Feng Zhu; Christopher E. Henry; Ohyun Kwon","Stable Tetravalent Phosphonium Enolate Zwitterions","Journal of the American Chemical Society","2007","129","","6722","6723","10.1021/ja071990s","","","0.71073","MoKα","","0.0474","0.0373","","","0.0922","0.0984","","","","","","1.053","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109465","10.4874","0.0016","13.386","0.002","20.289","0.003","81.392","0.002","84.224","0.002","80.184","0.002","2766.7","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H88 O6 P2 -","- C61 H88 O6 P2 -","- C122 H176 O12 P4 -","2","1","","Xue-Feng Zhu; Christopher E. Henry; Ohyun Kwon","Stable Tetravalent Phosphonium Enolate Zwitterions","Journal of the American Chemical Society","2007","129","","6722","6723","10.1021/ja071990s","","","0.71073","MoKα","","0.0721","0.0495","","","0.1217","0.1356","","","","","","1.047","","","","has coordinates,has disorder","178840","2020-10-21","18:00:00",""
"4109466","18.996","0.004","10.762","0.002","23.331","0.005","90","","113.583","0.002","90","","4371.3","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N O4 P -","- C24 H26 N O4 P -","- C192 H208 N8 O32 P8 -","8","2","","Xue-Feng Zhu; Christopher E. Henry; Ohyun Kwon","Stable Tetravalent Phosphonium Enolate Zwitterions","Journal of the American Chemical Society","2007","129","","6722","6723","10.1021/ja071990s","","","0.71073","MoKα","","0.0782","0.0472","","","0.0972","0.1104","","","","","","0.997","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109467","10.0806","0.0009","12.6747","0.0012","12.8077","0.001","73.376","0.01","67.246","0.009","66.989","0.01","1371.3","0.2","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","[Trans-hydrido-(2,3,5-trimethylphenylcarbyne)- bis(1,2-dimethylphosphino)ethane]tungsten","","- C22 H44 P4 W -","- C22 H44 P4 W -","- C44 H88 P8 W2 -","2","1","","Fenglou Zou; Franck Furno; Thomas Fox; Helmut W. Schmalle; Heinz Berke; Jürgen Eckert; Zema Chowdhury; Peter Burger","trans-W(Cmesityl)(dmpe)2H: Revealing a Highly Polar W-H Bond and H-Mobility in Liquid and Solid State","Journal of the American Chemical Society","2007","129","","7195","7205","10.1021/ja069140k","","","0.71073","MoKα","","0.0863","0.054","","","0.1322","0.14","","","","","","0.869","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109468","9.5196","0.0005","14.0844","0.0008","16.2632","0.0009","90","","90","","90","","2180.5","0.2","121","2","121","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O4 S -","- C24 H26 N2 O4 S -","- C96 H104 N8 O16 S4 -","4","1","","William L. Scott; Jacek G. Martynow; John C. Huffman; Martin J. O'Donnell","Solid-Phase Synthesis of Multiple Classes of Peptidomimetics from Versatile Resin-Bound Aldehyde Intermediates","Journal of the American Chemical Society","2007","129","","7077","7088","10.1021/ja069188y","","","0.71073","MoKα","","0.0331","0.0282","","","0.067","0.0692","","","","","","0.993","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109469","8.9769","0.001","12.873","0.0014","12.972","0.0015","87.302","0.004","79.571","0.003","76.007","0.003","1430.5","0.3","128","2","128","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 Cl2 N3 O3 -","- C31 H31 Cl2 N3 O3 -","- C62 H62 Cl4 N6 O6 -","2","1","","William L. Scott; Jacek G. Martynow; John C. Huffman; Martin J. O'Donnell","Solid-Phase Synthesis of Multiple Classes of Peptidomimetics from Versatile Resin-Bound Aldehyde Intermediates","Journal of the American Chemical Society","2007","129","","7077","7088","10.1021/ja069188y","","","0.71073","MoKα","","0.0829","0.0447","","","0.1008","0.1161","","","","","","0.875","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4109470","12.9652","0.0009","8.1963","0.0006","26.6271","0.0018","90","","93.3","0.002","90","","2824.9","0.3","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 N2 O6 -","- C33.842 H30 N2 O6 -","- C135.368 H120 N8 O24 -","4","1","","William L. Scott; Jacek G. Martynow; John C. Huffman; Martin J. O'Donnell","Solid-Phase Synthesis of Multiple Classes of Peptidomimetics from Versatile Resin-Bound Aldehyde Intermediates","Journal of the American Chemical Society","2007","129","","7077","7088","10.1021/ja069188y","","","0.71073","MoKα","","0.136","0.0505","","","0.0978","0.1172","","","","","","0.803","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109471","9.6523","0.0019","11.259","0.002","12.919","0.003","113.04","0.03","100.21","0.03","101.66","0.03","1213.1","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 F3 N O5 -","- C26 H26 F3 N O5 -","- C52 H52 F6 N2 O10 -","2","1","","Zhenjie Lu; Yu Zhang; William D. Wulff","Direct Access to N-H-Aziridines from Asymmetric Catalytic Aziridination with Borate Catalysts Derived from Vaulted Binaphthol and Vaulted Biphenanthrol Ligands","Journal of the American Chemical Society","2007","129","","7185","7194","10.1021/ja069371r","","","0.71073","MoKα","","0.1725","0.0668","","","0.166","0.2037","","","","","","0.946","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109472","16.1661","0.0004","16.1661","0.0004","16.4796","0.0009","90","","90","","120","","3729.8","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H44 N2 O14 Zn3 -","- C53.94 H43.86 N1.98 O13.98 Zn3 -","- C161.82 H131.58 N5.94 O41.94 Zn9 -","3","0.166667","","Christina A. Bauer; Tatiana V. Timofeeva; Thomas B. Settersten; Brian D. Patterson; Vincent H. Liu; Blake A. Simmons; Mark D. Allendorf","Influence of Connectivity and Porosity on Ligand-Based Luminescence in Zinc Metal-Organic Frameworks","Journal of the American Chemical Society","2007","129","","7136","7144","10.1021/ja0700395","","","0.71073","MoKα","","0.032","0.0242","","","0.0561","0.0586","","","","","","1.008","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109473","30.317","0.012","19.411","0.008","24.161","0.009","90","","90","","90","","14218","10","100","0.2","100","0.2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C48 H30 O13 Zn4 -","- C48 H30 O13 Zn4 -","- C192 H120 O52 Zn16 -","4","0.5","","Christina A. Bauer; Tatiana V. Timofeeva; Thomas B. Settersten; Brian D. Patterson; Vincent H. Liu; Blake A. Simmons; Mark D. Allendorf","Influence of Connectivity and Porosity on Ligand-Based Luminescence in Zinc Metal-Organic Frameworks","Journal of the American Chemical Society","2007","129","","7136","7144","10.1021/ja0700395","","","0.71073","MoKα","","0.1065","0.0656","","","0.1531","0.1662","","","","","","1.001","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109474","11.81","0.0008","13.3721","0.0009","12.2118","0.0008","90","","90","","90","","1928.5","0.2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H33 N Si Ti -","- C17 H33 N Si Ti -","- C68 H132 N4 Si4 Ti4 -","4","0.5","","Daniel J. Arriola; Marilyn Bokota; Richard E. Campbell; Jerzy Klosin; Robert E. LaPointe; O. David Redwine; Ravi B. Shankar; Francis J. Timmers; Khalil A. Abboud","Penultimate Effect in Ethylene-Styrene Copolymerization and the Discovery of Highly Active Ethylene-Styrene Catalysts with Increased Styrene Reactivity","Journal of the American Chemical Society","2007","129","","7065","7076","10.1021/ja070061y","","","0.71073","MoKα","","0.0398","0.0336","","","0.0951","0.099","","","","","","1.068","","","","has coordinates,has disorder","178840","2020-10-21","18:00:00",""
"4109475","22.958","0.002","8.1979","0.0006","12.4332","0.0009","90","","97.321","0.001","90","","2320.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 N Si Ti -","- C25 H33 N Si Ti -","- C100 H132 N4 Si4 Ti4 -","4","1","","Daniel J. Arriola; Marilyn Bokota; Richard E. Campbell; Jerzy Klosin; Robert E. LaPointe; O. David Redwine; Ravi B. Shankar; Francis J. Timmers; Khalil A. Abboud","Penultimate Effect in Ethylene-Styrene Copolymerization and the Discovery of Highly Active Ethylene-Styrene Catalysts with Increased Styrene Reactivity","Journal of the American Chemical Society","2007","129","","7065","7076","10.1021/ja070061y","","","0.71073","MoKα","","0.0455","0.0371","","","0.0949","0.1011","","","","","","1.048","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109476","9.2143","0.0005","12.9784","0.0006","19.545","0.001","84.112","0.001","77.999","0.001","78.688","0.001","2237.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H31 N Si Ti -","- C25 H31 N Si Ti -","- C100 H124 N4 Si4 Ti4 -","4","2","","Daniel J. Arriola; Marilyn Bokota; Richard E. Campbell; Jerzy Klosin; Robert E. LaPointe; O. David Redwine; Ravi B. Shankar; Francis J. Timmers; Khalil A. Abboud","Penultimate Effect in Ethylene-Styrene Copolymerization and the Discovery of Highly Active Ethylene-Styrene Catalysts with Increased Styrene Reactivity","Journal of the American Chemical Society","2007","129","","7065","7076","10.1021/ja070061y","","","0.71073","MoKα","","0.0627","0.0477","","","0.1304","0.145","","","","","","1.031","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109477","14.282","0.001","14.388","0.001","16.505","0.001","68.603","0.002","82.91","0.001","81.242","0.002","3112.5","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H39 N Si Ti -","- C39 H39 N Si Ti -","- C156 H156 N4 Si4 Ti4 -","4","2","","Daniel J. Arriola; Marilyn Bokota; Richard E. Campbell; Jerzy Klosin; Robert E. LaPointe; O. David Redwine; Ravi B. Shankar; Francis J. Timmers; Khalil A. Abboud","Penultimate Effect in Ethylene-Styrene Copolymerization and the Discovery of Highly Active Ethylene-Styrene Catalysts with Increased Styrene Reactivity","Journal of the American Chemical Society","2007","129","","7065","7076","10.1021/ja070061y","","","0.71073","MoKα","","0.1389","0.0551","","","0.0808","0.0946","","","","","","0.971","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109478","9.8536","0.0006","12.7084","0.0007","18.994","0.001","71.511","0.001","89.515","0.001","77.149","0.001","2194.3","0.2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H54 K2 O4 -","- C50 H54 K2 O4 -","- C100 H108 K4 O8 -","2","1","","Daniel J. Arriola; Marilyn Bokota; Richard E. Campbell; Jerzy Klosin; Robert E. LaPointe; O. David Redwine; Ravi B. Shankar; Francis J. Timmers; Khalil A. Abboud","Penultimate Effect in Ethylene-Styrene Copolymerization and the Discovery of Highly Active Ethylene-Styrene Catalysts with Increased Styrene Reactivity","Journal of the American Chemical Society","2007","129","","7065","7076","10.1021/ja070061y","","","0.71073","MoKα","","0.1284","0.055","","","0.1162","0.1461","","","","","","0.994","","","","has coordinates,has disorder","178840","2020-10-21","18:00:00",""
"4109479","9.5948","0.0004","9.3265","0.0004","16.441","0.0007","90","","92.895","0.001","90","","1469.36","0.11","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H40 B N2 O2 -","- C40 H40 B N2 O2 -","- C80 H80 B2 N4 O4 -","2","0.5","","Sushanta K. Pal; Mikhail E. Itkis; Fook S. Tham; Robert W. Reed; Richard T. Oakley; Bruno Donnadieu; Robert C. Haddon","Phenalenyl-Based Neutral Radical Molecular Conductors: Substituent Effects on Solid-State Structures and Properties","Journal of the American Chemical Society","2007","129","","7163","7174","10.1021/ja070103i","","","0.71073","MoKα","","0.0621","0.0477","","","0.1362","0.148","","","","","","1.031","","","","has coordinates,has disorder","178840","2020-10-21","18:00:00",""
"4109480","11.6514","0.0016","13.2224","0.0018","13.568","0.003","106.025","0.004","105.873","0.004","110.198","0.003","1720.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H47 B N3 O2 -","- C44 H47 B N3 O2 -","- C88 H94 B2 N6 O4 -","2","1","","Sushanta K. Pal; Mikhail E. Itkis; Fook S. Tham; Robert W. Reed; Richard T. Oakley; Bruno Donnadieu; Robert C. Haddon","Phenalenyl-Based Neutral Radical Molecular Conductors: Substituent Effects on Solid-State Structures and Properties","Journal of the American Chemical Society","2007","129","","7163","7174","10.1021/ja070103i","","","0.71073","MoKα","","0.078","0.0474","","","0.114","0.1287","","","","","","1.022","","","","has coordinates,has disorder","178840","2020-10-21","18:00:00",""
"4109481","17.7417","0.0006","14.1192","0.0005","25.9092","0.0009","90","","99.119","0.001","90","","6408.2","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H88 B2 N4 O4 -","- C84 H88 B2 N4 O4 -","- C336 H352 B8 N16 O16 -","4","0.5","","Sushanta K. Pal; Mikhail E. Itkis; Fook S. Tham; Robert W. Reed; Richard T. Oakley; Bruno Donnadieu; Robert C. Haddon","Phenalenyl-Based Neutral Radical Molecular Conductors: Substituent Effects on Solid-State Structures and Properties","Journal of the American Chemical Society","2007","129","","7163","7174","10.1021/ja070103i","","","0.71073","MoKα","","0.074","0.0497","","","0.1264","0.1413","","","","","","1.022","","","","has coordinates,has disorder","178840","2020-10-21","18:00:00",""
"4109482","9.25","0.002","9.299","0.002","15.983","0.003","79.86","0.07","84.04","0.06","77.34","0.07","1317.4","0.6","293","2","293","2","","","","","","","","4","P 1","P 1","1","","Boc-(Aib)3-L-Ser(OAllyl)-(Aib)2-L-Ser(OAllyl)-Aib-OMe monohydrate","","- C42 H74 N8 O14 -","- C42 H74 N8 O14 -","- C42 H74 N8 O14 -","1","1","","Amie K. Boal; Ivan Guryanov; Alessandro Moretto; Marco Crisma; Erica L. Lanni; Claudio Toniolo; Robert H. Grubbs; Daniel J. O'Leary","Facile and E-Selective Intramolecular Ring-Closing Metathesis Reactions in 310-Helical Peptides: A 3D Structural Study","Journal of the American Chemical Society","2007","129","","6986","6987","10.1021/ja071148m","","","1.54178","CuKα","","0.0757","0.0624","","","0.1705","0.1947","","","","","","1.045","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109483","14.3934","0.0006","14.3934","0.0006","54.305","0.003","90","","90","","90","","11250.4","0.9","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C46 H84 N8 O15 -","- C46 H84 N8 O15 -","- C368 H672 N64 O120 -","8","1","","Amie K. Boal; Ivan Guryanov; Alessandro Moretto; Marco Crisma; Erica L. Lanni; Claudio Toniolo; Robert H. Grubbs; Daniel J. O'Leary","Facile and E-Selective Intramolecular Ring-Closing Metathesis Reactions in 310-Helical Peptides: A 3D Structural Study","Journal of the American Chemical Society","2007","129","","6986","6987","10.1021/ja071148m","","","0.71073","MoKα","","0.0605","0.0504","","","0.0708","0.0714","","","","","","1.968","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4109484","31.518","0.004","8.961","0.002","18.351","0.003","90","","105.47","0.07","90","","4995","2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","Boc-(Aib)3-L-Ser-(Aib)2-L-Ser-Aib-OMe [O4G-(CH2)4-O7G bridged] monohydrate","","- C40 H72 N8 O14 -","- C40 H72 N8 O14 -","- C160 H288 N32 O56 -","4","1","","Amie K. Boal; Ivan Guryanov; Alessandro Moretto; Marco Crisma; Erica L. Lanni; Claudio Toniolo; Robert H. Grubbs; Daniel J. O'Leary","Facile and E-Selective Intramolecular Ring-Closing Metathesis Reactions in 310-Helical Peptides: A 3D Structural Study","Journal of the American Chemical Society","2007","129","","6986","6987","10.1021/ja071148m","","","1.54178","CuKα","","0.0536","0.0505","","","0.1375","0.1428","","","","","","1.046","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109485","6.9056","0.0003","8.8163","0.0005","19.4387","0.0011","83.675","0.004","88.903","0.004","88.855","0.004","1175.85","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H62 N4 O14 -","- C42 H62 N4 O14 -","- C42 H62 N4 O14 -","1","0.5","","James E. A. Webb; Maxwell J. Crossley; Peter Turner; Pall Thordarson","Pyromellitamide Aggregates and Their Response to Anion Stimuli","Journal of the American Chemical Society","2007","129","","7155","7162","10.1021/ja0713781","","","0.71073","MoKα","","0.1695","0.0655","","","0.1203","0.1298","","","","","","1.045","","","","has coordinates,has disorder","178840","2020-10-21","18:00:00",""
"4109486","26.2759","0.0019","26.2759","0.0019","31.734","0.005","90","","90","","90","","21910","4","80","2","80","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C134 H167 N43 O111.5 Pd6 -","- C134.24 H167.44 N43 O111.52 Pd6 -","- C536.96 H669.76 N172 O446.08 Pd24 -","4","0.25","","Yuki Nishioka; Takumi Yamaguchi; Michito Yoshizawa; Makoto Fujita","Unusual [2+4] and [2+2] Cycloadditions of Arenes in the Confined Cavity of Self-Assembled Cages","Journal of the American Chemical Society","2007","129","","7000","7001","10.1021/ja071591x","","","0.71073","MoKα","","0.1076","0.0712","","","0.2021","0.2419","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109487","26.283","0.012","26.283","0.012","32.15","0.03","90","","90","","90","","22209","3","82","2","82","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C138 H169 N43 O126 Pd6 -","- C138.24 H169.44 N43 O126 Pd6 -","- C552.96 H677.76 N172 O504 Pd24 -","4","0.25","","Yuki Nishioka; Takumi Yamaguchi; Michito Yoshizawa; Makoto Fujita","Unusual [2+4] and [2+2] Cycloadditions of Arenes in the Confined Cavity of Self-Assembled Cages","Journal of the American Chemical Society","2007","129","","7000","7001","10.1021/ja071591x","","","0.71073","MoKα","","0.1218","0.0812","","","0.2162","0.2602","","","","","","1.053","","","","has coordinates,has disorder","178840","2020-10-21","18:00:00",""
"4109488","16.498","0.002","11.7373","0.0007","17.08","0.002","90","","92.733","0.011","90","","3303.6","0.6","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 Cl2 Cu N4 O9 -","- C31 H36 Cl2 Cu N4 O9 -","- C124 H144 Cl8 Cu4 N16 O36 -","4","1","","Debabrata Maiti; Heather R. Lucas; Amy A. Narducci Sarjeant; Kenneth D. Karlin","Aryl Hydroxylation from a Mononuclear Copper-Hydroperoxo Species","Journal of the American Chemical Society","2007","129","","6998","6999","10.1021/ja071704c","","","0.71073","MoKα","","0.0434","0.0302","","","0.0776","0.082","","","","","","1.047","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109489","16.787","0.003","17.9931","0.0011","17.6323","0.0013","90","","100.026","0.01","90","","5244.5","1.1","","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H40 B Cu F20 N4 O -","- C56 H40 B Cu F20 N4 O -","- C224 H160 B4 Cu4 F80 N16 O4 -","4","1","","Debabrata Maiti; Heather R. Lucas; Amy A. Narducci Sarjeant; Kenneth D. Karlin","Aryl Hydroxylation from a Mononuclear Copper-Hydroperoxo Species","Journal of the American Chemical Society","2007","129","","6998","6999","10.1021/ja071704c","","","0.71073","MoKα","","0.0594","0.0371","","","0.0868","0.0982","","","","","","1.056","","","","has coordinates,has disorder","178840","2020-10-21","18:00:00",""
"4109490","8.6604","0.0015","22.787","0.004","16.7","0.003","90","","90.361","0.01","90","","3295.6","1","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 Fe2 N2 O4 P S2 -","- C31 H39 Fe2 N2 O4 P S2 -","- C124 H156 Fe8 N8 O16 P4 S8 -","4","1","","Tianbiao Liu; Marcetta Y. Darensbourg","A Mixed-Valent, Fe(II)Fe(I), Diiron Complex Reproduces the Unique Rotated State of the [FeFe]Hydrogenase Active Site","Journal of the American Chemical Society","2007","129","","7008","7009","10.1021/ja071851a","","","1.54178","CuKα","","0.1475","0.0694","","","0.1072","0.1276","","","","","","1.017","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109491","14.064","0.008","12.023","0.007","22.618","0.013","90","","103.136","0.009","90","","3724","4","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 F6 Fe2 N2 O4 P2 S2 -","- C31 H33 F6 Fe2 N2 O4 P2 S2 -","- C124 H132 F24 Fe8 N8 O16 P8 S8 -","4","1","","Tianbiao Liu; Marcetta Y. Darensbourg","A Mixed-Valent, Fe(II)Fe(I), Diiron Complex Reproduces the Unique Rotated State of the [FeFe]Hydrogenase Active Site","Journal of the American Chemical Society","2007","129","","7008","7009","10.1021/ja071851a","","","0.71073","MoKα","","0.0675","0.0561","","","0.138","0.1561","","","","","","1.082","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109492","29.927","0.003","29.927","0.003","39.912","0.008","90","","90","","120","","30957","8","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C132 H348 La20 N36 Ni30 O288 -","- C132 H150 La20 N36 Ni30 O216 -","- C396 H450 La60 N108 Ni90 O648 -","3","0.166667","","Xiang-Jian Kong; Yan-Ping Ren; La-Sheng Long; Zhiping Zheng; Rong-Bin Huang; Lan-Sun Zheng","A Keplerate Magnetic Cluster Featuring an Icosidodecahedron of Ni(II) Ions Encapsulating a Dodecahedron of La(III) Ions","Journal of the American Chemical Society","2007","129","","7016","7017","10.1021/ja0726198","","","0.71073","MoKα","","0.0573","0.0498","","","0.1338","0.1375","","","","","","1.103","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109493","6.6952","0.0004","18.1555","0.0014","7.956","0.0006","90","","96.612","0.003","90","","960.66","0.12","99.1","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C48 H48 N4 O4 -","2","0.5","","Suguru Kenmoku; Yasuteru Urano; Hirotatsu Kojima; Tetsuo Nagano","Development of a Highly Specific Rhodamine-Based Fluorescence Probe for Hypochlorous Acid and Its Application to Real-Time Imaging of Phagocytosis","Journal of the American Chemical Society","2007","129","","7313","7318","10.1021/ja068740g","","","0.71075","MoKα","","","0.0489","","","","0.1203","","","","","","0.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109494","13.571","0.008","14.252","0.008","27.108","0.015","97.841","0.012","91.323","0.012","106.338","0.012","4974","5","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H101 F24 N11 O6 P4 S8 -","- C84 H101 F24 N11 O6 P4 S8 -","- C168 H202 F48 N22 O12 P8 S16 -","2","1","","Sune Nygaard; Stinne W. Hansen; John C. Huffman; Frank Jensen; Amar H. Flood; Jan O. Jeppesen","Two Classes of Alongside Charge-Transfer Interactions Defined in One [2]Catenane","Journal of the American Chemical Society","2007","129","","7354","7363","10.1021/ja069047w","","","0.71073","MoKα","","0.2626","0.0887","","","0.2033","0.2497","","","","","","0.81","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4109495","18.3507","0.0011","11.3702","0.0007","18.7766","0.0012","90","","111.727","0.002","90","","3639.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H53 Fe N5 Si -","- C37 H53 Fe N5 Si -","- C148 H212 Fe4 N20 Si4 -","4","1","","Suzanne C. Bart; Amanda C. Bowman; Emil Lobkovsky; Paul J. Chirik","Iron Diazoalkane Chemistry: N-N Bond Hydrogenation and Intramolecular C-H Activation","Journal of the American Chemical Society","2007","129","","7212","7213","10.1021/ja070056u","","","0.71073","MoKα","","0.0614","0.0395","","","0.1078","0.1178","","","","","","1.086","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109496","12.1273","0.0008","11.6776","0.0006","20.8845","0.0012","90","","101.101","0.002","90","","2902.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H41 Fe N5 -","- C33 H41 Fe N5 -","- C132 H164 Fe4 N20 -","4","1","","Suzanne C. Bart; Amanda C. Bowman; Emil Lobkovsky; Paul J. Chirik","Iron Diazoalkane Chemistry: N-N Bond Hydrogenation and Intramolecular C-H Activation","Journal of the American Chemical Society","2007","129","","7212","7213","10.1021/ja070056u","","","0.71073","MoKα","","0.0538","0.0354","","","0.087","0.0953","","","","","","1.015","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109497","10.6004","0.0006","16.711","0.0008","20.0606","0.0011","90","","92.255","0.001","90","","3550.8","0.3","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 F3 O3 P5 S -","- C37 H30 F3 O3 P5 S -","- C148 H120 F12 O12 P20 S4 -","4","1","","C. Adam Dyker; Susanne D. Riegel; Neil Burford; Michael D. Lumsden; Andreas Decken","Cyclotetraphosphinophosphonium Ions: Synthesis, Structures, and Pseudorotation","Journal of the American Chemical Society","2007","129","","7464","7474","10.1021/ja070764f","","","0.71073","MoKα","","0.0502","0.0343","","","0.0861","0.093","","","","","","1.053","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109498","20.0981","0.0015","34.842","0.003","9.6712","0.0007","90","","94.697","0.001","90","","6749.6","0.9","213","1","213","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H50 F3 O3 P5 S -","- C27 H50 F3 O3 P5 S -","- C216 H400 F24 O24 P40 S8 -","8","2","","C. Adam Dyker; Susanne D. Riegel; Neil Burford; Michael D. Lumsden; Andreas Decken","Cyclotetraphosphinophosphonium Ions: Synthesis, Structures, and Pseudorotation","Journal of the American Chemical Society","2007","129","","7464","7474","10.1021/ja070764f","","","0.71073","MoKα","","0.0848","0.0528","","","0.1306","0.1389","","","","","","1.079","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109499","11.5785","0.0007","12.1458","0.0007","24.5466","0.0013","90","","90","","90","","3452","0.3","193","1","193","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H18 F3 O3 P5 S -","- C7 H18 F3 O3 P5 S -","- C56 H144 F24 O24 P40 S8 -","8","2","","C. Adam Dyker; Susanne D. Riegel; Neil Burford; Michael D. Lumsden; Andreas Decken","Cyclotetraphosphinophosphonium Ions: Synthesis, Structures, and Pseudorotation","Journal of the American Chemical Society","2007","129","","7464","7474","10.1021/ja070764f","","x-ray","0.71073","MoKα","","0.0538","0.0412","","","0.1018","0.1104","","","","","","1.061","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109500","9.9468","0.0012","12.7582","0.0015","12.9535","0.0015","109.358","0.002","97.345","0.002","104.076","0.002","1464.8","0.3","198","1","198","1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 F3 O3 P5 S -","- C27 H26 F3 O3 P5 S -","- C54 H52 F6 O6 P10 S2 -","2","1","","C. Adam Dyker; Susanne D. Riegel; Neil Burford; Michael D. Lumsden; Andreas Decken","Cyclotetraphosphinophosphonium Ions: Synthesis, Structures, and Pseudorotation","Journal of the American Chemical Society","2007","129","","7464","7474","10.1021/ja070764f","","x-ray","0.71073","MoKα","","0.0581","0.0364","","","0.062","0.0647","","","","","","0.832","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109501","10.2161","0.0012","11.7132","0.0014","16.928","0.002","82.232","0.002","80.76","0.002","66.707","0.002","1830.7","0.4","198","1","198","1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H34 Cl4 Ga P5 -","- C34 H34 Cl4 Ga P5 -","- C68 H68 Cl8 Ga2 P10 -","2","1","","C. Adam Dyker; Susanne D. Riegel; Neil Burford; Michael D. Lumsden; Andreas Decken","Cyclotetraphosphinophosphonium Ions: Synthesis, Structures, and Pseudorotation","Journal of the American Chemical Society","2007","129","","7464","7474","10.1021/ja070764f","","x-ray","0.71073","MoKα","","0.0486","0.0329","","","0.0774","0.0893","","","","","","1.06","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109502","6.433","0.002","5.4926","0.0017","16.535","0.005","90","","97.711","0.005","90","","579","0.3","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O3 -","- C11 H14 N2 O3 -","- C22 H28 N4 O6 -","2","1","","Dushyant Mukkamala; Yong Zhang; Eric Oldfield","A Solid State 13C NMR, Crystallographic, and Quantum Chemical Investigation of Phenylalanine and Tyrosine Residues in Dipeptides and Proteins","Journal of the American Chemical Society","2007","129","","7385","7392","10.1021/ja071227y","","","0.71073","MoKα","","0.0674","0.0399","","","0.0854","0.0954","","","","","","1.041","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4109503","5.4527","0.0009","12.754","0.002","23.021","0.003","90","","90","","90","","1601","0.4","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C72 H80 N8 O16 -","4","1","","Dushyant Mukkamala; Yong Zhang; Eric Oldfield","A Solid State 13C NMR, Crystallographic, and Quantum Chemical Investigation of Phenylalanine and Tyrosine Residues in Dipeptides and Proteins","Journal of the American Chemical Society","2007","129","","7385","7392","10.1021/ja071227y","","","0.71073","MoKα","","0.0981","0.0526","","","0.1109","0.1317","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109504","8.5224","0.0002","8.8972","0.0002","22.2197","0.0005","90","","90","","90","","1684.82","0.07","120","0.1","120","0.1","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","2004uv08sd01","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","1.5418","CuKα","","0.0375","0.037","","","0.0956","0.0966","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109505","8.207","0.002","27.329","0.007","15.559","0.002","90","","104.792","0.01","90","","3374.1","1.3","120","0.1","120","0.1","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","2004uv09sd02","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C168 H184 N8 O24 -","8","4","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","1.5418","CuKα","","0.0673","0.0585","","","0.1478","0.1636","","","","","","1.064","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109506","8.46","0.005","10.152","0.005","11.884","0.005","71.846","0.005","83.081","0.005","71.356","0.005","918.7","0.8","120","2","120","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C43 H50 N2 O7 -","- C43 H50 N2 O7 -","- C43 H50 N2 O7 -","1","1","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","0.71069","MoKα","","0.0509","0.0386","","","0.0802","0.0865","","","","","","1.062","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109507","7.572","0.005","10.001","0.005","11.441","0.005","90","0.005","101.246","0.005","90","0.005","849.8","0.8","293","2","120","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C42 H46 N2 O6 -","2","1","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","0.71069","MoKα","","0.033","0.0305","","","0.0757","0.0775","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109508","7.911","0.005","10.919","0.005","20.202","0.005","90","0.005","90","0.005","90","0.005","1745.1","1.4","120","2","120","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","0.71069","MoKα","","0.0389","0.0341","","","0.0894","0.0938","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109509","12.3969","0.0005","5.3641","0.0002","16.9165","0.0007","90","","103.524","0.002","90","","1093.73","0.08","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","2006sa04si04","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C54 H54 N2 O8 -","2","1","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","1.5418","CuKα","","0.077","0.0756","","","0.1793","0.1813","","","","","","1.128","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109510","11.4707","0.0005","11.4707","0.0005","19.7124","0.0018","90","","90","","90","","2593.7","0.3","100","2","100","2","","","","","","","synthesis as described","5","P 43","P 4cw","78","","","","- C28 H29 Cl2 N O4 -","- C28 H29 Cl2 N O4 -","- C112 H116 Cl8 N4 O16 -","4","1","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","0.7107","MoKα","","0.056","0.0427","","","0.0828","0.0872","","","","","","1.039","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109511","12.3586","0.0019","5.6122","0.0006","16.2206","0.0023","90","","98.289","0.009","90","","1113.3","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C54 H54 N2 O8 -","2","1","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","1.5418","CuKα","","0.0889","0.0386","","","0.0877","0.1065","","","","","","1.011","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109512","9.359","0.003","10.3678","0.0008","11.941","0.002","90","","104.583","0.016","90","","1121.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C54 H54 N2 O8 -","2","1","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","1.54184","CuKα","","0.0738","0.0501","","","0.1137","0.1284","","","","","","1.079","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109513","6.345","0.005","8.183","0.005","11.894","0.005","72.862","0.005","84.838","0.005","68.755","0.005","549.9","0.6","273","2","273","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C27 H27 N O4 -","1","1","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","0.71069","MoKα","","0.0697","0.0515","","","0.1341","0.1428","","","","","","1.075","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109514","9.1634","0.0005","10.9182","0.0006","11.5433","0.0006","90","","112.823","0.002","90","","1064.46","0.1","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C54 H54 N2 O8 -","2","1","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","0.71073","MoKα","","0.0737","0.0487","","","0.0852","0.0921","","","","","","0.993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109515","11.5577","0.0015","13.9554","0.0013","14.1742","0.0014","90","","90","","90","","2286.2","0.4","293","","293","","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C108 H108 N4 O16 -","4","1","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","1.54184","Cukα","","0.0729","0.0638","","","0.2103","0.2262","","","","","","1.19","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109516","8.876","0.006","10.754","0.008","19.208","0.014","85.69","0.02","88.43","0.02","77.14","0.03","1782","2","153.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H28 Cl2 Cu N6 O13 -","- C33 H28 Cl2 Cu N6 O13 -","- C66 H56 Cl4 Cu2 N12 O26 -","2","1","","Atsushi Kunishita; Junji Teraoka; Joseph D. Scanlon; Takahiro Matsumoto; Masatatsu Suzuki; Christopher J. Cramer; Shinobu Itoh","Aromatic Hydroxylation Reactivity of a Mononuclear Cu(II)-Alkylperoxo Complex","Journal of the American Chemical Society","2007","129","","7248","7249","10.1021/ja071623g","","","0.71075","MoKα","","","0.0499","","","","0.0528","","","","","","0.955","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109517","9.43","0.011","11.586","0.008","16.939","0.014","86.89","0.03","74.54","0.04","85.12","0.03","1776","3","153.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H28 Cl4 Cu N4 O9 -","- C33 H28 Cl4 Cu N4 O9 -","- C66 H56 Cl8 Cu2 N8 O18 -","2","1","","Atsushi Kunishita; Junji Teraoka; Joseph D. Scanlon; Takahiro Matsumoto; Masatatsu Suzuki; Christopher J. Cramer; Shinobu Itoh","Aromatic Hydroxylation Reactivity of a Mononuclear Cu(II)-Alkylperoxo Complex","Journal of the American Chemical Society","2007","129","","7248","7249","10.1021/ja071623g","","","0.71075","MoKα","","","0.0598","","","","0.1882","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109518","23.675","0.015","16.448","0.01","17.832","0.01","90","","101.21","0.03","90","","6811","7","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H30 Cl2 Cu N4 O8 -","- C33 H30 Cl2 Cu N4 O8 -","- C264 H240 Cl16 Cu8 N32 O64 -","8","1","","Atsushi Kunishita; Junji Teraoka; Joseph D. Scanlon; Takahiro Matsumoto; Masatatsu Suzuki; Christopher J. Cramer; Shinobu Itoh","Aromatic Hydroxylation Reactivity of a Mononuclear Cu(II)-Alkylperoxo Complex","Journal of the American Chemical Society","2007","129","","7248","7249","10.1021/ja071623g","","","0.71075","MoKα","","","0.0618","","","","0.0922","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109519","11.253","0.004","10.105","0.004","31.07","0.014","90","","94.776","0.018","90","","3521","2","153.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 Cl2 Cu N4 O9 -","- C35 H34 Cl2 Cu N4 O9 -","- C140 H136 Cl8 Cu4 N16 O36 -","4","1","","Atsushi Kunishita; Junji Teraoka; Joseph D. Scanlon; Takahiro Matsumoto; Masatatsu Suzuki; Christopher J. Cramer; Shinobu Itoh","Aromatic Hydroxylation Reactivity of a Mononuclear Cu(II)-Alkylperoxo Complex","Journal of the American Chemical Society","2007","129","","7248","7249","10.1021/ja071623g","","","0.71075","MoKα","","","0.0434","","","","0.0452","","","","","","0.842","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109520","11.714","0.005","15.177","0.009","16.059","0.009","90","","109.692","0.02","90","","2688","2","153.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Cl Cu N3 O5 -","- C31 H26 Cl Cu N3 O5 -","- C124 H104 Cl4 Cu4 N12 O20 -","4","1","","Atsushi Kunishita; Junji Teraoka; Joseph D. Scanlon; Takahiro Matsumoto; Masatatsu Suzuki; Christopher J. Cramer; Shinobu Itoh","Aromatic Hydroxylation Reactivity of a Mononuclear Cu(II)-Alkylperoxo Complex","Journal of the American Chemical Society","2007","129","","7248","7249","10.1021/ja071623g","","","0.71075","MoKα","","","0.0426","","","","0.0571","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109521","32.42","0.07","5.567","0.012","16.32","0.03","90","","93.19","0.03","90","","2941","10","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H23 N O4 S -","- C13 H23 N O4 S -","- C104 H184 N8 O32 S8 -","8","1","","Valentine P. Ananikov; Nikolay V. Orlov; Irina P. Beletskaya; Victor N. Khrustalev; Mikhail Yu. Antipin; Tatiana V. Timofeeva","New Approach for Size- and Shape-Controlled Preparation of Pd Nanoparticles with Organic Ligands. Synthesis and Application in Catalysis","Journal of the American Chemical Society","2007","129","","7252","7253","10.1021/ja071727r","","","0.71073","MoKα","","0.2627","0.0832","","","0.111","0.1521","","","","","","1","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109522","17.3964","0.0008","26.4065","0.0012","8.6732","0.0002","90","","103.518","0.001","90","","3873.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 N2 -","- C48 H58 N2 -","- C192 H232 N8 -","4","1","","Andrzej Rajca; Kouichi Shiraishi; Maren Pink; Suchada Rajca","Triplet (S= 1) Ground State Aminyl Diradical","Journal of the American Chemical Society","2007","129","","7232","7233","10.1021/ja071881d","","","0.49594","synchrotron","","0.0942","0.0685","","","0.1723","0.1919","","","","","","1.048","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4109523","12.583","0.004","16.903","0.006","19.953","0.007","90","","90","","90","","4244","3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H60 N4 O11 Si -","- C42 H60 N4 O11 Si -","- C168 H240 N16 O44 Si4 -","4","1","","Francis Dhoro; Tor E. Kristensen; Vegar Stockmann; Glenn P. A. Yap; Marcus A. Tius","Asymmetric Amine-Intercepted Nazarov Cyclization","Journal of the American Chemical Society","2007","129","","7256","7257","10.1021/ja0718873","","","0.71073","MoKα","","0.0757","0.0495","","","0.1046","0.114","","","","","","1.034","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109524","6.9438","0.0012","7.6221","0.0016","21.557","0.004","90","","94.07","0.02","90","","1138.1","0.4","180","2","180","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","rac-(3S,4R)-3.4-Dihydroxy-6-phenylhexan-2-one","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","","Morris Markert; Michael Mulzer; Bernd Schetter; Rainer Mahrwald","Amine-Catalyzed Direct Aldol Addition","Journal of the American Chemical Society","2007","129","","7258","7259","10.1021/ja071926a","","","0.71073","MoKα","","0.0958","0.0736","","","0.185","0.2058","","","","","","0.978","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109525","11.2404","0.0008","6.328","0.0005","23.5861","0.0019","90","","102.04","0.006","90","","1640.8","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","rac-(2R,6R)-2,6-Dicyclohexyl-4-hydroxymethyl-(1,3)dioxane-(4S,5S)-4,5-diol","","- C17 H30 O5 -","- C17 H30 O5 -","- C68 H120 O20 -","4","1","","Morris Markert; Michael Mulzer; Bernd Schetter; Rainer Mahrwald","Amine-Catalyzed Direct Aldol Addition","Journal of the American Chemical Society","2007","129","","7258","7259","10.1021/ja071926a","","","0.71073","MoKα","","0.1135","0.0726","","","0.2102","0.2251","","","","","","1.047","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109526","11.967","0.003","12.44","0.003","21.006","0.002","78.249","0.013","75.127","0.015","69.87","0.02","2814.8","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H88 N4 O2 Si2 -","- C61 H88 N4 O2 Si2 -","- C122 H176 N8 O4 Si4 -","2","1","","Shenglai Yao; Yun Xiong; Markus Brym","An Isolable Silanoic Ester by Oxygenation of a Stable Silylene","Journal of the American Chemical Society","2007","129","","7268","7269","10.1021/ja072425s","","","0.71073","MoKα","","0.0989","0.0542","","","0.1243","0.1386","","","","","","0.989","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109527","11.627","0.005","13.155","0.004","21.083","0.011","99.44","0.03","94.68","0.04","115.22","0.04","2836","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C123 H172 N8 O6 Si4 -","- C123 H172 N8 O6 Si4 -","- C123 H172 N8 O6 Si4 -","1","0.5","","Shenglai Yao; Yun Xiong; Markus Brym","An Isolable Silanoic Ester by Oxygenation of a Stable Silylene","Journal of the American Chemical Society","2007","129","","7268","7269","10.1021/ja072425s","","","0.71073","MoKα","","0.2156","0.0734","","","0.0812","0.1068","","","","","","0.877","","","","has coordinates,has disorder","178841","2020-10-21","18:00:00",""
"4109528","9.6568","0.0005","10.8775","0.0005","11.3053","0.0006","67.83","0.001","89.132","0.001","83.812","0.001","1092.91","0.1","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 O4 Ru Sn -","- C22 H16 O4 Ru Sn -","- C44 H32 O8 Ru2 Sn2 -","2","1","","Richard D. Adams; Burjor Captain; Eszter Trufan; Lei Zhu","Activation of Metal Hydride Complexes by Tri-tert-butylphosphine-Platinum and -Palladium Groups","Journal of the American Chemical Society","2007","129","","7545","7556","10.1021/ja070617h","","","0.71073","MoKα","","0.043","0.0304","","","0.0686","0.0745","","","","","","1.047","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109529","15.261","0.0015","15.4146","0.0015","21.044","0.002","76.544","0.002","73.541","0.002","76.415","0.002","4540.9","0.8","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H49 O4 Os P Pt Sn -","- C42 H49 O4 Os P Pt Sn -","- C168 H196 O16 Os4 P4 Pt4 Sn4 -","4","2","","Richard D. Adams; Burjor Captain; Eszter Trufan; Lei Zhu","Activation of Metal Hydride Complexes by Tri-tert-butylphosphine-Platinum and -Palladium Groups","Journal of the American Chemical Society","2007","129","","7545","7556","10.1021/ja070617h","","","0.71073","MoKα","","0.0624","0.0405","","","0.123","0.1444","","","","","","1.051","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109530","15.3785","0.0008","12.0732","0.0006","20.6568","0.001","90","","108.841","0.001","90","","3629.8","0.3","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H43 O4 Os P Pt Sn -","- C34 H43 O4 Os P Pt Sn -","- C136 H172 O16 Os4 P4 Pt4 Sn4 -","4","1","","Richard D. Adams; Burjor Captain; Eszter Trufan; Lei Zhu","Activation of Metal Hydride Complexes by Tri-tert-butylphosphine-Platinum and -Palladium Groups","Journal of the American Chemical Society","2007","129","","7545","7556","10.1021/ja070617h","","","0.71073","MoKα","","0.0539","0.0376","","","0.0961","0.1087","","","","","","1.031","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109531","12.9837","0.0003","13.3071","0.0003","14.9483","0.0004","98.206","0.001","90.739","0.001","104.088","0.001","2476.32","0.1","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H58 O4 P Pt Ru Sn -","- C51 H58 O4 P Pt Ru Sn -","- C102 H116 O8 P2 Pt2 Ru2 Sn2 -","2","1","","Richard D. Adams; Burjor Captain; Eszter Trufan; Lei Zhu","Activation of Metal Hydride Complexes by Tri-tert-butylphosphine-Platinum and -Palladium Groups","Journal of the American Chemical Society","2007","129","","7545","7556","10.1021/ja070617h","","","0.71073","MoKα","","0.0473","0.0339","","","0.0773","0.084","","","","","","1.039","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109532","10.3182","0.0002","12.2019","0.0003","18.4334","0.0004","78.227","0.001","78.186","0.001","66.084","0.001","2057.51","0.08","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H49 O4 P Pt Ru Sn -","- C42 H49 O4 P Pt Ru Sn -","- C84 H98 O8 P2 Pt2 Ru2 Sn2 -","2","1","","Richard D. Adams; Burjor Captain; Eszter Trufan; Lei Zhu","Activation of Metal Hydride Complexes by Tri-tert-butylphosphine-Platinum and -Palladium Groups","Journal of the American Chemical Society","2007","129","","7545","7556","10.1021/ja070617h","","","0.71073","MoKα","","0.0444","0.0322","","","0.0638","0.0714","","","","","","1.024","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109533","11.5256","0.0005","12.7825","0.0006","17.0037","0.0008","101.212","0.001","106.474","0.001","103.063","0.001","2248.67","0.18","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H49 O4 P Pd Ru Sn -","- C42 H49 O4 P Pd Ru Sn -","- C84 H98 O8 P2 Pd2 Ru2 Sn2 -","2","1","","Richard D. Adams; Burjor Captain; Eszter Trufan; Lei Zhu","Activation of Metal Hydride Complexes by Tri-tert-butylphosphine-Platinum and -Palladium Groups","Journal of the American Chemical Society","2007","129","","7545","7556","10.1021/ja070617h","","","0.71073","MoKα","","0.0672","0.0469","","","0.1532","0.1729","","","","","","1.042","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109534","10.3198","0.0004","12.1676","0.0005","18.4225","0.0008","78.148","0.001","78.187","0.001","65.989","0.001","2048.97","0.15","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H49 O4 Os P Pt Sn -","- C42 H49 O4 Os P Pt Sn -","- C84 H98 O8 Os2 P2 Pt2 Sn2 -","2","1","","Richard D. Adams; Burjor Captain; Eszter Trufan; Lei Zhu","Activation of Metal Hydride Complexes by Tri-tert-butylphosphine-Platinum and -Palladium Groups","Journal of the American Chemical Society","2007","129","","7545","7556","10.1021/ja070617h","","","0.71073","MoKα","","0.0351","0.027","","","0.0628","0.0694","","","","","","1.031","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109535","9.9318","0.0003","12.019","0.0003","19.9237","0.0005","94.884","0.001","91.471","0.001","106.541","0.001","2268.49","0.11","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H55 O3 Os P Pt Sn -","- C49 H55 O3 Os P Pt Sn -","- C98 H110 O6 Os2 P2 Pt2 Sn2 -","2","1","","Richard D. Adams; Burjor Captain; Eszter Trufan; Lei Zhu","Activation of Metal Hydride Complexes by Tri-tert-butylphosphine-Platinum and -Palladium Groups","Journal of the American Chemical Society","2007","129","","7545","7556","10.1021/ja070617h","","","0.71073","MoKα","","0.055","0.0381","","","0.0753","0.0878","","","","","","1.065","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109536","18.545","0.004","16.868","0.003","25.24","0.005","90","","90","","90","","7896","3","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","jontl01","Ni(dippe)(CH2CN)Cl","","- C16 H34 Cl N Ni P2 -","- C16 H34 Cl N Ni P2 -","- C256 H544 Cl16 N16 Ni16 P32 -","16","2","","Tülay A. Ateşin; Ting Li; Sébastien Lachaize; William W. Brennessel; Juventino J. García; William D. Jones","Experimental and Theoretical Examination of C-CN and C-H Bond Activations of Acetonitrile Using Zerovalent Nickel","Journal of the American Chemical Society","2007","129","","7562","7569","10.1021/ja0707153","","","0.71073","MoKα","","0.057","0.0332","","","0.0731","0.0831","","","","","","1.012","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109537","9.0897","0.0013","20.487","0.003","43.135","0.006","90","","90","","90","","8033","2","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","jontl04","Ni(dippe)(CH3CNBEt3)","","- C22 H50 B N Ni P2 -","- C22 H50 B N Ni P2 -","- C264 H600 B12 N12 Ni12 P24 -","12","3","","Tülay A. Ateşin; Ting Li; Sébastien Lachaize; William W. Brennessel; Juventino J. García; William D. Jones","Experimental and Theoretical Examination of C-CN and C-H Bond Activations of Acetonitrile Using Zerovalent Nickel","Journal of the American Chemical Society","2007","129","","7562","7569","10.1021/ja0707153","","","0.71073","MoKα","","0.0492","0.0397","","","0.0814","0.0843","","","","","","1.074","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109538","9.8347","0.0002","17.9417","0.0005","23.5508","0.0007","87.965","0.001","84.739","0.001","89.151","0.001","4135.17","0.19","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H44 N2 O4 -","- C55 H44 N2 O4 -","- C220 H176 N8 O16 -","4","2","","Yi Wei; Chien-Tien Chen","Doubly Ortho-Linked cis-4,4'-Bis(diarylamino)stilbene/Fluorene Hybrids as Efficient Nondoped, Sky-Blue Fluorescent Materials for Optoelectronic Applications","Journal of the American Chemical Society","2007","129","","7478","7479","10.1021/ja070822x","","","0.71073","MoKα","","0.2361","0.0816","","","0.1725","0.2469","","","","","","0.943","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109539","5.499","0.003","11.661","0.005","11.909","0.005","64.67","0.04","78","0.04","84.17","0.04","675.1","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","","Martin Klussmann; Toshiko Izumi; Andrew J. P. White; Alan Armstrong; Donna G. Blackmond","Emergence of Solution-Phase Homochirality via Crystal Engineering of Amino Acids","Journal of the American Chemical Society","2007","129","","7657","7660","10.1021/ja0708870","","","1.54248","CuKα","","0.0769","0.05","","","0.1256","0.1326","","","","","","0.921","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109540","13.3754","0.0012","15.3953","0.0014","15.7098","0.0015","70.609","0.002","70.501","0.002","67.214","0.002","2733.9","0.4","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C57.5 H69.5 N4.5 Ni2 O9 -","- C57.5 H63.5 N4.5 Ni2 O9 -","- C115 H127 N9 Ni4 O18 -","2","2","","You-Moon Jeon; Jungseok Heo; Chad A. Mirkin","Dynamic Interconversion of Amorphous Microparticles and Crystalline Rods in Salen-Based Homochiral Infinite Coordination Polymers","Journal of the American Chemical Society","2007","129","","7480","7481","10.1021/ja071046w","","","0.71073","MoKα","","0.1351","0.0762","","","0.2018","0.2447","","","","","","1.028","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4109541","16.999","0.001","10.017","0.001","23.406","0.001","90","","96.89","0.01","90","","3956.8","0.5","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Cl2 Fe N5 O15 Zn -","- C34 H35 Cl2 Fe N5 O15 Zn -","- C136 H140 Cl8 Fe4 N20 O60 Zn4 -","4","1","","Ademir Neves; Mauricio Lanznaster; Adailton J. Bortoluzzi; Rosely A. Peralta; Annelise Casellato; Eduardo Ernesto Castellano; Paul Herrald; Mark J. Riley; Gerhard Schenk","An Unprecedented FeIII(μ-OH)ZnII Complex that Mimics the Structural and Functional Properties of Purple Acid Phosphatases","Journal of the American Chemical Society","2007","129","","7486","7487","10.1021/ja071184l","","","0.71073","MoKα","","0.1033","0.08","","","0.2247","0.2509","","","","","","1.115","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109542","19.218","0.001","15.928","0.001","27.62","0.001","90","","106.36","0.01","90","","8112.3","0.8","120","2","120","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C80 H72 Cl2 Fe2 N14 Na O26 P Zn2 -","- C80 H72 Cl2 Fe2 N14 Na O26 P Zn2 -","- C320 H288 Cl8 Fe8 N56 Na4 O104 P4 Zn8 -","4","0.5","","Ademir Neves; Mauricio Lanznaster; Adailton J. Bortoluzzi; Rosely A. Peralta; Annelise Casellato; Eduardo Ernesto Castellano; Paul Herrald; Mark J. Riley; Gerhard Schenk","An Unprecedented FeIII(μ-OH)ZnII Complex that Mimics the Structural and Functional Properties of Purple Acid Phosphatases","Journal of the American Chemical Society","2007","129","","7486","7487","10.1021/ja071184l","","","0.71073","MoKα","","0.0806","0.0632","","","0.1721","0.1864","","","","","","1.063","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109543","7.8274","0.0008","28.355","0.003","8.0627","0.0008","90","","97.861","0.002","90","","1772.7","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 Cl N2 O2 -","- C21 H19 Cl N2 O2 -","- C84 H76 Cl4 N8 O8 -","4","2","","Jonathan Clayden; Jérémy Dufour; Damian M. Grainger; Madeleine Helliwell","Substituted Diarylmethylamines by Stereospecific Intramolecular Electrophilic Arylation of Lithiated Ureas","Journal of the American Chemical Society","2007","129","","7488","7489","10.1021/ja071523a","","","0.71073","MoKα","","0.0495","0.0441","","","0.1027","0.1055","","","","","","1.046","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109544","10.4248","0.0004","12.8075","0.0004","11.7988","0.0004","90","","112.968","0.002","90","","1450.44","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H50 N4 O2 -","- C28 H50 N4 O2 -","- C56 H100 N8 O4 -","2","0.5","","Haifeng Du; Weicheng Yuan; Baoguo Zhao; Yian Shi","A Pd(0)-Catalyzed Diamination of Terminal Olefins at Allylic and Homoallylic Carbons via Formal C-H Activation under Solvent-Free Conditions","Journal of the American Chemical Society","2007","129","","7496","7497","10.1021/ja072080d","","","0.71073","MoKα","","0.0874","0.052","","","0.1199","0.1377","","","","","","1.006","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109545","15.5328","0.0006","15.6066","0.0006","24.5182","0.0008","90","","90","","90","","5943.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H50 N4 O2 -","- C28 H50 N4 O2 -","- C224 H400 N32 O16 -","8","2","","Haifeng Du; Weicheng Yuan; Baoguo Zhao; Yian Shi","A Pd(0)-Catalyzed Diamination of Terminal Olefins at Allylic and Homoallylic Carbons via Formal C-H Activation under Solvent-Free Conditions","Journal of the American Chemical Society","2007","129","","7496","7497","10.1021/ja072080d","","","0.71073","MoKα","","0.0966","0.0542","","","0.1176","0.1358","","","","","","1.026","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109546","17.64","","17.3703","0.0012","17.6396","0.0013","90","","90","","90","","5405","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 N4 O2 -","- C26 H46 N4 O2 -","- C208 H368 N32 O16 -","8","2","","Haifeng Du; Weicheng Yuan; Baoguo Zhao; Yian Shi","A Pd(0)-Catalyzed Diamination of Terminal Olefins at Allylic and Homoallylic Carbons via Formal C-H Activation under Solvent-Free Conditions","Journal of the American Chemical Society","2007","129","","7496","7497","10.1021/ja072080d","","","0.71073","MoKα","","0.1831","0.0583","","","0.106","0.1471","","","","","","0.632","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109547","14.629","0.002","10.5454","0.0015","34.763","0.005","90","","100.912","0.006","90","","5265.9","1.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 Ir O P -","- C33 H32 Ir O P -","- C264 H256 Ir8 O8 P8 -","8","2","","Takahiro Nishimura; Yuichi Yasuhara; Tamio Hayashi","Iridium-Catalyzed [3 + 2] Annulation of 1,3-Dienes with ortho-Carbonylated Phenylboronic Acids. A Catalytic Process Involving Regioselective 1,2-Addition","Journal of the American Chemical Society","2007","129","","7506","7507","10.1021/ja072369v","","","0.71075","MoKα","","0.0541","0.046","","","0.1316","0.137","","","","","","1.173","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109548","14.133","0.007","5.25","0.003","16.352","0.008","90","","96.172","0.018","90","","1206.3","1.1","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Takahiro Nishimura; Yuichi Yasuhara; Tamio Hayashi","Iridium-Catalyzed [3 + 2] Annulation of 1,3-Dienes with ortho-Carbonylated Phenylboronic Acids. A Catalytic Process Involving Regioselective 1,2-Addition","Journal of the American Chemical Society","2007","129","","7506","7507","10.1021/ja072369v","","","0.71075","MoKα","","0.0621","0.0506","","","0.1249","0.136","","","","","","1.08","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109549","14.94","0.003","8.2549","0.0018","20.299","0.004","90","","107.649","0.004","90","","2385.6","0.9","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H66 B2 N2 O2 -","- C46 H50 B2 N2 -","- C92 H100 B4 N4 -","2","0.5","","Yi Sun; Nicole Ross; Shu-Bin Zhao; Krista Huszarik; Wen-Li Jia; Rui-Yao Wang; Donal Macartney; Suning Wang","Enhancing Electron Accepting Ability of Triarylboron via π-Conjugation with 2,2'-Bipy and Metal Chelation: 5,5'-Bis(BMes2)-2,2'-bipy and Its Metal Complexes","Journal of the American Chemical Society","2007","129","","7510","7511","10.1021/ja0725652","","","0.71073","MoKα","","0.1418","0.0601","","","0.0842","0.09","","","","","","0.962","","","","has coordinates,has disorder","178841","2020-10-21","18:00:00",""
"4109550","11.402","0.003","17.934","0.005","21.197","0.005","78.656","0.003","77.688","0.003","72.65","0.003","4000.7","1.8","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H124 B2 Cl2 F2 N4 -","- C78 H122 B2 F2 N4 -","- C156 H244 B4 F4 N8 -","2","1","","Yi Sun; Nicole Ross; Shu-Bin Zhao; Krista Huszarik; Wen-Li Jia; Rui-Yao Wang; Donal Macartney; Suning Wang","Enhancing Electron Accepting Ability of Triarylboron via π-Conjugation with 2,2'-Bipy and Metal Chelation: 5,5'-Bis(BMes2)-2,2'-bipy and Its Metal Complexes","Journal of the American Chemical Society","2007","129","","7510","7511","10.1021/ja0725652","","","0.71073","MoKα","","0.1936","0.0991","","","0.2551","0.2949","","","","","","1","","","","has coordinates,has disorder","178841","2020-10-21","18:00:00",""
"4109551","24.9145","0.0014","13.3642","0.0008","18.6362","0.001","90","","90","","90","","6205.2","0.6","180","2","180","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C64 H80 B2 N2 O1.5 Pt -","- C58 H60 B2 N2 Pt -","- C232 H240 B8 N8 Pt4 -","4","0.5","","Yi Sun; Nicole Ross; Shu-Bin Zhao; Krista Huszarik; Wen-Li Jia; Rui-Yao Wang; Donal Macartney; Suning Wang","Enhancing Electron Accepting Ability of Triarylboron via π-Conjugation with 2,2'-Bipy and Metal Chelation: 5,5'-Bis(BMes2)-2,2'-bipy and Its Metal Complexes","Journal of the American Chemical Society","2007","129","","7510","7511","10.1021/ja0725652","","","0.71073","MoKα","","0.0371","0.0241","","","0.0703","0.0738","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109552","13.302","0.003","13.302","0.003","9.662","0.004","90","","90","","90","","1709.6","0.9","120","2","120","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C44 H28 Ge N4 -","- C44 H28 Ge N4 -","- C88 H56 Ge2 N8 -","2","0.125","","Julie A. Cissell; Thomas P. Vaid; Glenn P. A. Yap","Reversible Oxidation State Change in Germanium(tetraphenylporphyrin) Induced by a Dative Ligand: Aromatic GeII(TPP) and Antiaromatic GeIV(TPP)(pyridine)2","Journal of the American Chemical Society","2007","129","","7841","7847","10.1021/ja070794i","","","0.71073","MoKα","","0.0611","0.0605","","","0.1575","0.1577","","","","","","1.078","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109553","9.603","0.003","11.992","0.004","20.484","0.007","90.185","0.005","101.13","0.005","104.608","0.005","2236.4","1.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H43 Ge N7 -","- C59 H43 Ge N7 -","- C118 H86 Ge2 N14 -","2","1","","Julie A. Cissell; Thomas P. Vaid; Glenn P. A. Yap","Reversible Oxidation State Change in Germanium(tetraphenylporphyrin) Induced by a Dative Ligand: Aromatic GeII(TPP) and Antiaromatic GeIV(TPP)(pyridine)2","Journal of the American Chemical Society","2007","129","","7841","7847","10.1021/ja070794i","","","0.71073","MoKα","","0.0476","0.0397","","","0.0938","0.1001","","","","","","1.037","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109554","17.003","0.003","17.824","0.004","20.177","0.003","90","","99.981","0.01","90","","6022.3","1.9","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C67 H35 F24 Ge N7 -","- C62 H30 F24 Ge N6 -","- C248 H120 F96 Ge4 N24 -","4","1","","Julie A. Cissell; Thomas P. Vaid; Glenn P. A. Yap","Reversible Oxidation State Change in Germanium(tetraphenylporphyrin) Induced by a Dative Ligand: Aromatic GeII(TPP) and Antiaromatic GeIV(TPP)(pyridine)2","Journal of the American Chemical Society","2007","129","","7841","7847","10.1021/ja070794i","","","0.71073","MoKα","","0.0844","0.0566","","","0.1351","0.1465","","","","","","1.04","","","","has coordinates,has disorder","178841","2020-10-21","18:00:00",""
"4109555","8.42","0.0005","10.9803","0.0007","15.4279","0.0009","90","","90","","90","","1426.37","0.15","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O6 -","- C14 H20 O6 -","- C56 H80 O24 -","4","1","","Shuangyi Wan; Hakan Gunaydin; K. N. Houk; Paul E. Floreancig","An Experimental and Computational Approach to Defining Structure/Reactivity Relationships for Intramolecular Addition Reactions to Bicyclic Epoxonium Ions","Journal of the American Chemical Society","2007","129","","7915","7923","10.1021/ja0709674","","","0.71073","MoKα","","0.0645","0.058","","","0.1366","0.1409","","","","","","1.311","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109556","10.2817","0.0018","10.6501","0.0018","11.88","0.002","90","","90","","90","","1300.9","0.4","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O6 -","- C13 H18 O6 -","- C52 H72 O24 -","4","1","","Shuangyi Wan; Hakan Gunaydin; K. N. Houk; Paul E. Floreancig","An Experimental and Computational Approach to Defining Structure/Reactivity Relationships for Intramolecular Addition Reactions to Bicyclic Epoxonium Ions","Journal of the American Chemical Society","2007","129","","7915","7923","10.1021/ja0709674","","","0.71073","MoKα","","0.117","0.0566","","","0.1197","0.1395","","","","","","0.893","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109557","21.0795","0.0006","18.9497","0.0005","22.5312","0.0005","90","","99.782","0.002","90","","8869.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(K-crypt)3[Bi3Ni4(CO)6]*en*tol","","- C69 H124 Bi3 K3 N8 Ni4 O24 -","- C69 H124.02 Bi3 K3 N8 Ni4 O24 -","- C276 H496.08 Bi12 K12 N32 Ni16 O96 -","4","1","","Jose M. Goicoechea; Michael W. Hull; Slavi C. Sevov","Heteroatomic Deltahedral Clusters: Synthesis and Structures of closo-[Bi3Ni4(CO)6]3-, closo-[Bi4Ni4(CO)6]2-, the Open Cluster [Bi3Ni6(CO)9]3-, and the Intermetalloid closo-[Nix@{Bi6Ni6(CO)8}]4-","Journal of the American Chemical Society","2007","129","","7885","7893","10.1021/ja071044b","","","0.71073","MoKα","","0.0984","0.067","","","0.1784","0.1952","","","","","","1.089","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109558","21.0938","0.0008","18.9442","0.0007","22.6611","0.0008","90","","99.628","0.001","90","","8927.9","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(K-crypt)3[Sb3Ni4(CO)6]*en*tol","","- C69 H124 K3 N8 Ni4 O24 Sb3 -","- C69 H124.02 K3 N8 Ni4 O24 Sb3 -","- C276 H496.08 K12 N32 Ni16 O96 Sb12 -","4","1","","Jose M. Goicoechea; Michael W. Hull; Slavi C. Sevov","Heteroatomic Deltahedral Clusters: Synthesis and Structures of closo-[Bi3Ni4(CO)6]3-, closo-[Bi4Ni4(CO)6]2-, the Open Cluster [Bi3Ni6(CO)9]3-, and the Intermetalloid closo-[Nix@{Bi6Ni6(CO)8}]4-","Journal of the American Chemical Society","2007","129","","7885","7893","10.1021/ja071044b","","","0.71073","MoKα","","0.1128","0.0646","","","0.1667","0.1927","","","","","","1.038","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109559","11.7566","0.0018","48.054","0.007","22.508","0.003","90","","90.448","0.002","90","","12716","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(K-crypt)4(Bi4Ni4(CO)6)2*tol","","- C91 H152 Bi8 K4 N8 Ni8 O36 -","- C91 H152 Bi8 K4 N8 Ni8 O36 -","- C364 H608 Bi32 K16 N32 Ni32 O144 -","4","1","","Jose M. Goicoechea; Michael W. Hull; Slavi C. Sevov","Heteroatomic Deltahedral Clusters: Synthesis and Structures of closo-[Bi3Ni4(CO)6]3-, closo-[Bi4Ni4(CO)6]2-, the Open Cluster [Bi3Ni6(CO)9]3-, and the Intermetalloid closo-[Nix@{Bi6Ni6(CO)8}]4-","Journal of the American Chemical Society","2007","129","","7885","7893","10.1021/ja071044b","","","0.71073","MoKα","","0.0601","0.0455","","","0.097","0.1005","","","","","","1.101","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109560","13.7111","0.0003","14.3075","0.0004","15.4124","0.0006","111.699","0.002","91.646","0.002","118.149","0.001","2399.6","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(K-18crown6)4(Ni@Bi6Ni6(CO)8)*3en","","- C62 H120 Bi6 K4 N6 Ni6.33 O32 -","- C62 H120.06 Bi6 K4 N6 Ni6.334 O32 -","- C62 H120.06 Bi6 K4 N6 Ni6.334 O32 -","1","0.5","","Jose M. Goicoechea; Michael W. Hull; Slavi C. Sevov","Heteroatomic Deltahedral Clusters: Synthesis and Structures of closo-[Bi3Ni4(CO)6]3-, closo-[Bi4Ni4(CO)6]2-, the Open Cluster [Bi3Ni6(CO)9]3-, and the Intermetalloid closo-[Nix@{Bi6Ni6(CO)8}]4-","Journal of the American Chemical Society","2007","129","","7885","7893","10.1021/ja071044b","","","0.71073","MoKα","","0.0627","0.0464","","","0.1141","0.1196","","","","","","1.029","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109561","12.4407","0.0007","12.7175","0.0007","22.9792","0.0013","86.716","0.002","89.544","0.002","82.269","0.002","3596.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(K-18crown6)3(Bi3Ni6(CO)9)*en*0.5tol","","- C50.5 H84 Bi3 K3 N2 Ni6 O27 -","- C50.5 H83.5 Bi3 K3 N2 Ni6 O27 -","- C101 H167 Bi6 K6 N4 Ni12 O54 -","2","1","","Jose M. Goicoechea; Michael W. Hull; Slavi C. Sevov","Heteroatomic Deltahedral Clusters: Synthesis and Structures of closo-[Bi3Ni4(CO)6]3-, closo-[Bi4Ni4(CO)6]2-, the Open Cluster [Bi3Ni6(CO)9]3-, and the Intermetalloid closo-[Nix@{Bi6Ni6(CO)8}]4-","Journal of the American Chemical Society","2007","129","","7885","7893","10.1021/ja071044b","","","0.71073","MoKα","","0.1038","0.056","","","0.112","0.1229","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109562","9.675","0.002","6.0983","0.0013","22.524","0.005","90","","102.402","0.003","90","","1297.9","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H32 O3 -","- C32 H32 O3 -","- C64 H64 O6 -","2","1","","Wen-Hua Zheng; Bao-Hui Zheng; Yan Zhang; Xue-Long Hou","Highly Regio-, Diastereo-, and Enantioselective Pd-Catalyzed Allylic Alkylation of Acyclic Ketone Enolates with Monosubstituted Allyl Substrates","Journal of the American Chemical Society","2007","129","","7718","7719","10.1021/ja071098l","","","0.71073","MoKα","","0.0891","0.0459","","","0.0897","0.1043","","","","","","0.767","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109563","9.244","0.002","6.5344","0.0017","27.035","0.007","90","","90.004","0.004","90","","1633","0.7","88","2","88","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H3 N4 S4 -","- C5 H3 N4 S4 -","- C40 H24 N32 S32 -","8","2","","Alicea A. Leitch; Robert W. Reed; Craig M. Robertson; James F. Britten; Xueyang Yu; Richard A. Secco; Richard T. Oakley","An Alternating π-Stacked Bisdithiazolyl Radical Conductor","Journal of the American Chemical Society","2007","129","","7903","7914","10.1021/ja071218p","","","0.71073","MoKα","","0.193","0.072","","","0.1398","0.1836","","","","","","0.999","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109564","6.5456","0.0006","9.2558","0.0008","27.04","0.002","90","","90","","90","","1638.2","0.2","123","2","123","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C5 H3 N4 S4 -","- C5 H3 N4 S4 -","- C40 H24 N32 S32 -","8","1","","Alicea A. Leitch; Robert W. Reed; Craig M. Robertson; James F. Britten; Xueyang Yu; Richard A. Secco; Richard T. Oakley","An Alternating π-Stacked Bisdithiazolyl Radical Conductor","Journal of the American Chemical Society","2007","129","","7903","7914","10.1021/ja071218p","","","1.54178","CuKα","","0.0625","0.057","","","0.1617","0.1654","","","","","","1.208","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109565","6.6488","0.0002","27.2177","0.0005","9.2797","0.0002","90","","90","","90","","1679.3","0.07","295","2","295","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C5 H3 N4 S4 -","- C5 H3 N4 S4 -","- C40 H24 N32 S32 -","8","","","Alicea A. Leitch; Robert W. Reed; Craig M. Robertson; James F. Britten; Xueyang Yu; Richard A. Secco; Richard T. Oakley","An Alternating π-Stacked Bisdithiazolyl Radical Conductor","Journal of the American Chemical Society","2007","129","","7903","7914","10.1021/ja071218p","","","1.54178","CuKα","","0.0447","0.0386","","","0.1105","0.1148","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109566","9.8774","0.0004","10.0035","0.0005","12.77","0.0006","85.158","0.001","74.304","0.001","63.535","0.001","1086.48","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H42 Cl O3 P -","- C19 H42 Cl O3 P -","- C38 H84 Cl2 O6 P2 -","2","1","","Soon Hyeok Hong; Anna G. Wenzel; Tina T. Salguero; Michael W. Day; Robert H. Grubbs","Decomposition of Ruthenium Olefin Metathesis Catalysts","Journal of the American Chemical Society","2007","129","","7961","7968","10.1021/ja0713577","","","0.71073","MoKα","","0.0618","0.0383","","","0.0724","0.0772","","","","","","1.307","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4109567","9.8735","0.0006","10.7053","0.0007","11.8315","0.0007","100.828","0.002","98.018","0.002","116.447","0.001","1063.77","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H58 Cl2 N4 Ru2 -","- C46 H58 Cl2 N4 Ru2 -","- C46 H58 Cl2 N4 Ru2 -","1","0.5","","Soon Hyeok Hong; Anna G. Wenzel; Tina T. Salguero; Michael W. Day; Robert H. Grubbs","Decomposition of Ruthenium Olefin Metathesis Catalysts","Journal of the American Chemical Society","2007","129","","7961","7968","10.1021/ja0713577","","","0.71073","MoKα","","0.0724","0.0422","","","0.0667","0.0714","","","","","","1.146","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4109568","11.3376","0.0007","13.3755","0.0008","21.4203","0.0014","90","","90","","90","","3248.3","0.4","98","2","98","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H41 Cl2 N5 Ru -","- C36 H41 Cl2 N5 Ru -","- C144 H164 Cl8 N20 Ru4 -","4","0.5","","Soon Hyeok Hong; Anna G. Wenzel; Tina T. Salguero; Michael W. Day; Robert H. Grubbs","Decomposition of Ruthenium Olefin Metathesis Catalysts","Journal of the American Chemical Society","2007","129","","7961","7968","10.1021/ja0713577","","","0.71073","MoKα","","0.0481","0.032","","","0.0498","0.0509","","","","","","1.716","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4109569","20.7728","0.0008","20.7728","0.0008","18.1437","0.0016","90","","90","","120","","6780.3","0.7","108","2","108","2","","","","","","","","7","P 61","P 61","169","","","","- C41.33 H62.67 Cl3 N2 O0.33 P Ru -","- C40 H60 Cl3 N2 P Ru -","- C240 H360 Cl18 N12 P6 Ru6 -","6","1","","Marisa L. Macnaughtan; Marc J. A. Johnson; Jeff W. Kampf","Olefin Metathesis Reactions with Vinyl Halides: Formation, Observation, Interception, and Fate of the Ruthenium-Monohalomethylidene Moiety","Journal of the American Chemical Society","2007","129","","7708","7709","10.1021/ja0715952","","","0.71073","MoKα","","0.0587","0.044","","","0.0922","0.0968","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109570","18.238","0.0014","18.238","0.0014","14.286","0.002","90","","90","","120","","4115.2","0.7","153","2","153","2","","","","","","","","5","P 32","P 32","145","","","","- C51.5 H52.5 Cu2 N4 O11.75 -","- C51.5 H30 Cu2 N4 O11.75 -","- C154.5 H90 Cu6 N12 O35.25 -","3","1","","Jungseok Heo; You-Moon Jeon; Chad A. Mirkin","Reversible Interconversion of Homochiral Triangular Macrocycles and Helical Coordination Polymers","Journal of the American Chemical Society","2007","129","","7712","7713","10.1021/ja0716812","","","0.71073","MoKα","","0.1064","0.0665","","","0.1755","0.2154","","","","","","0.752","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109571","18.2101","0.0011","18.2101","0.0011","14.2785","0.0018","90","","90","","120","","4100.5","0.6","153","2","153","2","","","","","","","","5","P 31","P 31","144","","","","- C50.5 H53.5 Cu2 N4 O12.5 -","- C50.5 H30 Cu2 N4 O12.5 -","- C151.5 H90 Cu6 N12 O37.5 -","3","1","","Jungseok Heo; You-Moon Jeon; Chad A. Mirkin","Reversible Interconversion of Homochiral Triangular Macrocycles and Helical Coordination Polymers","Journal of the American Chemical Society","2007","129","","7712","7713","10.1021/ja0716812","","","0.71073","MoKα","","0.1132","0.0647","","","0.1474","0.169","","","","","","0.94","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109572","27.7103","0.001","27.7103","0.001","24.1747","0.0017","90","","90","","120","","16075.9","1.4","153","2","153","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C76 H62 Cu2 N10 O7 -","- C76 H40 Cu2 N10 O7 -","- C684 H360 Cu18 N90 O63 -","9","1","","Jungseok Heo; You-Moon Jeon; Chad A. Mirkin","Reversible Interconversion of Homochiral Triangular Macrocycles and Helical Coordination Polymers","Journal of the American Chemical Society","2007","129","","7712","7713","10.1021/ja0716812","","","0.71073","MoKα","","0.1331","0.0728","","","0.1912","0.2358","","","","","","0.84","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109573","27.7575","0.0015","27.7575","0.0015","24.198","0.003","90","","90","","120","","16146","2","153","2","153","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C76 H61.33 Cu2 N10 O6.67 -","- C76 H60 Cu2 N10 O6.66667 -","- C684 H540 Cu18 N90 O60 -","9","1","","Jungseok Heo; You-Moon Jeon; Chad A. Mirkin","Reversible Interconversion of Homochiral Triangular Macrocycles and Helical Coordination Polymers","Journal of the American Chemical Society","2007","129","","7712","7713","10.1021/ja0716812","","","0.71073","MoKα","","0.1768","0.0792","","","0.1973","0.2259","","","","","","1.026","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109574","9.9162","0.0002","12.3631","0.0003","15.313","0.0004","89.386","0.001","84.283","0.001","69.609","0.001","1750.33","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C67 H6 O4 S2 -","- C67 H6 O4 S2 -","- C134 H12 O8 S4 -","2","1","","Wei Zhang; Timothy M. Swager","Functionalization of Single-Walled Carbon Nanotubes and Fullerenes via a Dimethyl Acetylenedicarboxylate-4-Dimethylaminopyridine Zwitterion Approach","Journal of the American Chemical Society","2007","129","","7714","7715","10.1021/ja0717212","","","0.71073","MoKα","","0.0753","0.0699","","","0.1835","0.188","","","","","","1.051","","","","has coordinates,has disorder","178841","2020-10-21","18:00:00",""
"4109575","30.7329","0.0005","12.1699","0.0002","15.1349","0.0002","90","","90","","90","","5660.7","0.15","93.1","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C31 H36 N2 O4 S2 -","- C31 H36 N2 O4 S2 -","- C248 H288 N16 O32 S16 -","8","1","","Daisuke Tanaka; Yoshihiro Sato; Miwako Mori","Ruthenium-Catalyzed [2 + 2 + 2] Cocyclization of Diene-yne","Journal of the American Chemical Society","2007","129","","7730","7731","10.1021/ja071954t","","","1.54187","CuKα","","","0.0495","","","","0.1457","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109576","6.28801","0.00017","12.0898","0.0004","16.3874","0.0005","79.995","0.002","80.8101","0.0019","85.537","0.003","1209.48","0.06","93.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N2 O4 S2 -","- C26 H32 N2 O4 S2 -","- C52 H64 N4 O8 S4 -","2","1","","Daisuke Tanaka; Yoshihiro Sato; Miwako Mori","Ruthenium-Catalyzed [2 + 2 + 2] Cocyclization of Diene-yne","Journal of the American Chemical Society","2007","129","","7730","7731","10.1021/ja071954t","","","1.54187","CuKα","","","0.0362","","","","0.0999","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109577","12.778","0.003","21.822","0.004","20.534","0.004","90","","96.34","0.03","90","","5691","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H74 N2 O4 P2 Pd -","- C65 H74 N2 O4 P2 Pd -","- C260 H296 N8 O16 P8 Pd4 -","4","1","","Qilong Shen; John F. Hartwig","Lewis Acid Acceleration of C-N Bond-Forming Reductive Elimination from Heteroarylpalladium Complexes and Catalytic Amidation of Heteroaryl Bromides","Journal of the American Chemical Society","2007","129","","7734","7735","10.1021/ja0722473","","","0.71073","MoKα","","0.0963","0.0546","","","0.1459","0.1651","","","","","","1.01","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109578","15.447","0.003","14.8077","0.0016","19.75","0.003","90","","95.002","0.006","90","","4500.3","1.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H52 B4 O8 -","- C51 H52 B4 O8 -","- C204 H208 B16 O32 -","4","1","","Nobuharu Iwasawa; Hiroki Takahagi","Boronic Esters as a System for Crystallization-Induced Dynamic Self-Assembly Equipped with an ""On-Off"" Switch for Equilibration","Journal of the American Chemical Society","2007","129","","7754","7755","10.1021/ja072319q","","","0.71073","MoKα","","0.0856","0.0743","","","0.2126","0.2167","","","","","","1.133","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109579","12.361","0.003","15.078","0.003","19.743","0.004","90","","99.06","0.003","90","","3633.8","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H48 Au Cl2 F N2 -","- C37 H48 Au Cl2 F N2 -","- C148 H192 Au4 Cl8 F4 N8 -","4","1","","Jennifer A. Akana; Koyel X. Bhattacharyya; Peter Müller; Joseph P. Sadighi","Reversible C-F Bond Formation and the Au-Catalyzed Hydrofluorination of Alkynes","Journal of the American Chemical Society","2007","129","","7736","7737","10.1021/ja0723784","","","0.71073","MoKα","","0.0319","0.0256","","","0.0637","0.0674","","","","","","1.024","","","","has coordinates,has disorder","178841","2020-10-21","18:00:00",""
"4109580","10.606","0.0012","7.1299","0.0008","24.583","0.003","90","","94.177","0.003","90","","1854","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O6 -","- C21 H21 N O6 -","- C84 H84 N4 O24 -","4","1","","Shun Su; John A. Porco","Synthesis of Pyrrolo-isoquinolines Related to the Lamellarins Using Silver-Catalyzed Cycloisomerization/Dipolar Cycloaddition","Journal of the American Chemical Society","2007","129","","7744","7745","10.1021/ja072737v","","","0.71073","MoKα","","0.0522","0.0381","","","0.1071","0.1138","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109581","8.0265","0.0008","9.2144","0.0008","10.8224","0.001","104.461","0.003","103.518","0.003","108.685","0.003","689.92","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C34 H30 N2 O8 -","2","1","","Shun Su; John A. Porco","Synthesis of Pyrrolo-isoquinolines Related to the Lamellarins Using Silver-Catalyzed Cycloisomerization/Dipolar Cycloaddition","Journal of the American Chemical Society","2007","129","","7744","7745","10.1021/ja072737v","","","0.71073","MoKα","","0.0527","0.0396","","","0.0978","0.1039","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109582","15.4051","0.0016","8.4192","0.0008","20.955","0.002","90","","97.664","0.005","90","","2693.6","0.5","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 N O4 Si -","- C27 H37 N O4 Si -","- C108 H148 N4 O16 Si4 -","4","1","","Shun Su; John A. Porco","Synthesis of Pyrrolo-isoquinolines Related to the Lamellarins Using Silver-Catalyzed Cycloisomerization/Dipolar Cycloaddition","Journal of the American Chemical Society","2007","129","","7744","7745","10.1021/ja072737v","","","0.71073","MoKα","","0.0787","0.0486","","","0.1301","0.146","","","","","","1.059","","","","has coordinates,has disorder","178841","2020-10-21","18:00:00",""
"4109583","11.879","0.0003","16.205","0.0006","29.367","0.0009","90","","90.886","0.002","90","","5652.4","0.3","120","0.1","120","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","trans-1,2-Bis{bis[bis(trimethylsilyl)methyl]isopropylsilyl}- 3,4-dimethyl-1,2-disilacyclobutene","","- C38 H98 Si12 -","- C38 H98 Si12 -","- C152 H392 Si48 -","4","1","","Rei Kinjo; Masaaki Ichinohe; Akira Sekiguchi; Nozomi Takagi; Michinori Sumimoto; Shigeru Nagase","Reactivity of a Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]2) toward π-Bonds: Stereospecific Addition and a New Route to an Isolable 1,2-Disilabenzene","Journal of the American Chemical Society","2007","129","","7766","7767","10.1021/ja072759h","","","0.7107","MoKα","","0.0412","0.0381","","","0.0965","0.0992","","","","","","1.021","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109584","11.964","0.001","14.311","0.0016","20.267","0.002","110.482","0.005","91.712","0.006","92.014","0.006","3245.4","0.6","120","0.1","120","0.1","","","","","","","","3","P -1","-P 1","2","","1,2-bis[bis{bis(trimethylsilyl)methyl}isopropyl}- 3,4-diphenyl-1,2-disilabenzene","","- C50 H102 Si12 -","- C50 H102 Si12 -","- C100 H204 Si24 -","2","1","","Rei Kinjo; Masaaki Ichinohe; Akira Sekiguchi; Nozomi Takagi; Michinori Sumimoto; Shigeru Nagase","Reactivity of a Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]2) toward π-Bonds: Stereospecific Addition and a New Route to an Isolable 1,2-Disilabenzene","Journal of the American Chemical Society","2007","129","","7766","7767","10.1021/ja072759h","","","0.7107","MoKα","","0.1193","0.0662","","","0.1577","0.1877","","","","","","0.978","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109585","9.2821","0.0009","17.5262","0.0011","13.815","0.001","90","","101.407","0.0014","90","","2203","0.3","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 O5 P Pd S -","- C23 H23 O5 P Pd S -","- C92 H92 O20 P4 Pd4 S4 -","4","1","","Takuya Kochi; Akifumi Nakamura; Hirotsugu Ida; Kyoko Nozaki","Alternating Copolymerization of Vinyl Acetate with Carbon Monoxide","Journal of the American Chemical Society","2007","129","","7770","7771","10.1021/ja072859n","","","0.7107","MoKα","","0.0252","0.0241","","","0.0603","0.061","","","","","","1.072","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109586","67.154","0.013","19.104","0.004","32.685","0.007","90","","106.96","0.03","90","","40108","16","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C190.5 H178.75 Cl4 N19.25 Ni4 P12 Re4 -","- C190.5 H178.75 Cl4 N19.25 Ni4 P12 Re4 -","- C1524 H1430 Cl32 N154 Ni32 P96 Re32 -","8","1","","Eric J. Schelter; Ferdi Karadas; Carolina Avendano; Andrey V. Prosvirin; Wolfgang Wernsdorfer; Kim R. Dunbar","A Family of Mixed-Metal Cyanide Cubes with Alternating Octahedral and Tetrahedral Corners Exhibiting a Variety of Magnetic Behaviors Including Single Molecule Magnetism","Journal of the American Chemical Society","2007","129","","8139","8149","10.1021/ja0683281","","","0.71073","MoKα","","0.1876","0.1016","","","0.2224","0.2574","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109587","67.056","0.013","18.895","0.004","32.549","0.007","90","","106.68","0.03","90","","39505","15","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C200.45 H184.25 Cl4 N19 O2.7 P12 Re4 Zn4 -","- C200.45 H184.25 Cl4 N19 O2.7 P12 Re4 Zn4 -","- C1603.6 H1474 Cl32 N152 O21.6 P96 Re32 Zn32 -","8","1","","Eric J. Schelter; Ferdi Karadas; Carolina Avendano; Andrey V. Prosvirin; Wolfgang Wernsdorfer; Kim R. Dunbar","A Family of Mixed-Metal Cyanide Cubes with Alternating Octahedral and Tetrahedral Corners Exhibiting a Variety of Magnetic Behaviors Including Single Molecule Magnetism","Journal of the American Chemical Society","2007","129","","8139","8149","10.1021/ja0683281","","","0.71073","MoKα","","0.0609","0.0482","","","0.1207","0.1265","","","","","","1.112","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109588","67.243","0.013","18.813","0.004","32.616","0.007","90","","106.44","0.03","90","","39574","15","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C194.5 H192 Cl3.5 Fe4 N19.5 O1.5 P12 Re4 -","- C194.5 H192 Cl3.5 Fe4 N19.5 O1.5 P12 Re4 -","- C1556 H1536 Cl28 Fe32 N156 O12 P96 Re32 -","8","1","","Eric J. Schelter; Ferdi Karadas; Carolina Avendano; Andrey V. Prosvirin; Wolfgang Wernsdorfer; Kim R. Dunbar","A Family of Mixed-Metal Cyanide Cubes with Alternating Octahedral and Tetrahedral Corners Exhibiting a Variety of Magnetic Behaviors Including Single Molecule Magnetism","Journal of the American Chemical Society","2007","129","","8139","8149","10.1021/ja0683281","","","0.71073","MoKα","","0.1053","0.08","","","0.1867","0.1972","","","","","","1.168","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109589","17.4307","0.0013","5.3287","0.0003","26.7589","0.0019","90","","90","","90","","2485.4","0.3","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O5 -","- C13 H12 N2 O5 -","- C104 H96 N16 O40 -","8","1","","Tamara L. Church; Christopher M. Byrne; Emil B. Lobkovsky; Geoffrey W. Coates","A New Multicomponent Reaction Catalyzed by a [Lewis Acid]+[Co(CO)4]- Catalyst: Stereospecific Synthesis of 1,3-Oxazinane-2,4-diones from Epoxides, Isocyanates, and CO","Journal of the American Chemical Society","2007","129","","8156","8162","10.1021/ja069065d","","","0.71073","MoKα","","0.0619","0.0379","","","0.0981","0.1149","","","","","","1.021","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109590","5.3536","0.0004","9.2517","0.0007","22.0423","0.0016","90","","90","","90","","1091.75","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Br N O3 -","- C11 H10 Br N O3 -","- C44 H40 Br4 N4 O12 -","4","1","","Tamara L. Church; Christopher M. Byrne; Emil B. Lobkovsky; Geoffrey W. Coates","A New Multicomponent Reaction Catalyzed by a [Lewis Acid]+[Co(CO)4]- Catalyst: Stereospecific Synthesis of 1,3-Oxazinane-2,4-diones from Epoxides, Isocyanates, and CO","Journal of the American Chemical Society","2007","129","","8156","8162","10.1021/ja069065d","","","0.71073","MoKα","","0.0397","0.0277","","","0.0578","0.0611","","","","","","0.964","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109591","22.938","0.004","10.2673","0.0017","19.629","0.003","90","","115.543","0.002","90","","4171","1.2","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","holas19","","","- C47 H63 Fe N4 -","- C47 H63 Fe N4 -","- C188 H252 Fe4 N16 -","4","0.5","","Azwana R. Sadique; Elizabeth A. Gregory; William W. Brennessel; Patrick L. Holland","Mechanistic Insight into NN Cleavage by a Low-Coordinate Iron(II) Hydride Complex","Journal of the American Chemical Society","2007","129","","8112","8121","10.1021/ja069199r","","","0.71073","MoKα","","0.0512","0.0384","","","0.0965","0.1035","","","","","","1.054","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109592","50.91","0.003","14.3387","0.0009","28.6998","0.0018","90","","123.668","0.001","90","","17436.2","1.9","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","holas09","","","- C96 H148 Fe2 N4 -","- C96 H148 Fe2 N4 -","- C768 H1184 Fe16 N32 -","8","1","","Azwana R. Sadique; Elizabeth A. Gregory; William W. Brennessel; Patrick L. Holland","Mechanistic Insight into NN Cleavage by a Low-Coordinate Iron(II) Hydride Complex","Journal of the American Chemical Society","2007","129","","8112","8121","10.1021/ja069199r","","","0.71073","MoKα","","0.0607","0.0467","","","0.1235","0.1328","","","","","","1.017","","","","has coordinates,has disorder","178841","2020-10-21","18:00:00",""
"4109593","17.521","0.005","21.541","0.006","8.296","0.002","90","","91.057","0.006","90","","3130.5","1.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H21 B F9 N3 O -","- C37 H21 B F9 N3 O -","- C148 H84 B4 F36 N12 O4 -","4","1","","Yuichi Takeuchi; Atsushi Matsuda; Nagao Kobayashi","Synthesis and Characterization of meso-Triarylsubporphyrins","Journal of the American Chemical Society","2007","129","","8271","8281","10.1021/ja0712120","","","0.7107","MoKα","","0.0801","0.0714","","","0.1427","0.1473","","","","","","1.226","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109594","10.057","0.003","28.505","0.009","9.464","0.002","90","","108.676","0.005","90","","2570.2","1.2","150","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 B N2 O3 -","- C32 H29 B N2 O3 -","- C128 H116 B4 N8 O12 -","4","1","","Yuichi Takeuchi; Atsushi Matsuda; Nagao Kobayashi","Synthesis and Characterization of meso-Triarylsubporphyrins","Journal of the American Chemical Society","2007","129","","8271","8281","10.1021/ja0712120","","","0.7107","MoKα","","0.0881","0.0733","","","0.1525","0.1604","","","","","","1.194","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109595","15.304","0.007","15.316","0.007","21.776","0.014","95.059","0.007","106.489","0.007","116.953","0.005","4220","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H83 F24 N13 O7 P4 -","- C73 H83 F24 N13 O7 P4 -","- C146 H166 F48 N26 O14 P8 -","2","1","","Ognjen Š. Miljanić; William R. Dichtel; Saeed I. Khan; Shahab Mortezaei; James R. Heath; J. Fraser Stoddart","Structural and Co-conformational Effects of Alkyne-Derived Subunits in Charged Donor-Acceptor [2]Catenanes","Journal of the American Chemical Society","2007","129","","8236","8246","10.1021/ja071319n","","","0.71073","MoKα","","0.2035","0.0762","","","0.1827","0.2387","","","","","","1.028","","","","has coordinates,has disorder","178841","2020-10-21","18:00:00",""
"4109596","13.69","0.002","13.848","0.002","24.046","0.004","84.815","0.002","85.732","0.002","67.626","0.003","4194.2","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H84 F24 N10 O8 P4 -","- C76 H84 F24 N10 O8 P4 -","- C152 H168 F48 N20 O16 P8 -","2","1","","Ognjen Š. Miljanić; William R. Dichtel; Saeed I. Khan; Shahab Mortezaei; James R. Heath; J. Fraser Stoddart","Structural and Co-conformational Effects of Alkyne-Derived Subunits in Charged Donor-Acceptor [2]Catenanes","Journal of the American Chemical Society","2007","129","","8236","8246","10.1021/ja071319n","","","0.71073","MoKα","","0.0988","0.0763","","","0.2042","0.2218","","","","","","1.034","","","","has coordinates,has disorder","178841","2020-10-21","18:00:00",""
"4109597","14.021","0.003","14.121","0.003","22.21","0.005","94.628","0.002","93.4","0.002","93.554","0.003","4365.5","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H92 F24 N10 O10 P4 -","- C80 H92 F24 N10 O10 P4 -","- C160 H184 F48 N20 O20 P8 -","2","1","","Ognjen Š. Miljanić; William R. Dichtel; Saeed I. Khan; Shahab Mortezaei; James R. Heath; J. Fraser Stoddart","Structural and Co-conformational Effects of Alkyne-Derived Subunits in Charged Donor-Acceptor [2]Catenanes","Journal of the American Chemical Society","2007","129","","8236","8246","10.1021/ja071319n","","","0.71073","MoKα","","0.1212","0.0845","","","0.2417","0.2746","","","","","","1.041","","","","has coordinates,has disorder","178841","2020-10-21","18:00:00",""
"4109598","10.163","0.003","12.669","0.004","14.245","0.005","99.963","0.004","107.12","0.003","112.522","0.003","1532","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 F24 N4 O6 P4 -","- C60 H60 F24 N4 O6 P4 -","- C60 H60 F24 N4 O6 P4 -","1","0.5","","Ognjen Š. Miljanić; William R. Dichtel; Saeed I. Khan; Shahab Mortezaei; James R. Heath; J. Fraser Stoddart","Structural and Co-conformational Effects of Alkyne-Derived Subunits in Charged Donor-Acceptor [2]Catenanes","Journal of the American Chemical Society","2007","129","","8236","8246","10.1021/ja071319n","","","0.71073","MoKα","","0.0928","0.0595","","","0.1365","0.1551","","","","","","1.012","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109599","15.3679","0.0003","17.1148","0.0003","18.7696","0.0002","89.655","0.001","75.018","0.001","78.53","0.001","4668.32","0.14","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C105 H105 F10 P4 Pt2 -","- C105 H105 F10 P4 Pt2 -","- C210 H210 F20 P8 Pt4 -","2","1","","Jürgen Stahl; Wolfgang Mohr; Laura de Quadras; Thomas B. Peters; James C. Bohling; José Miguel Martín-Alvarez; Gareth R. Owen; Frank Hampel; John A. Gladysz","sp Carbon Chains Surrounded by sp3 Carbon Double Helices: Coordination-Driven Self-Assembly of Wirelike Pt(C\τbC)nPt Moieties That Are Spanned by Two P(CH2)mP Linkages","Journal of the American Chemical Society","2007","129","","8282","8295","10.1021/ja0716103","","","0.71073","MoKα","","0.032","0.032","","","0.0683","0.0683","","","","","","1.043","","","","has coordinates,has disorder","178841","2020-10-21","18:00:00",""
"4109600","15.217","0.003","17.213","0.003","18.597","0.004","92.48","0.03","104.45","0.03","101.24","0.03","4604.8","1.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C106.5 H108 F10 P4 Pt2 -","- C106.5 H104 F10 P4 Pt2 -","- C213 H208 F20 P8 Pt4 -","2","1","","Jürgen Stahl; Wolfgang Mohr; Laura de Quadras; Thomas B. Peters; James C. Bohling; José Miguel Martín-Alvarez; Gareth R. Owen; Frank Hampel; John A. Gladysz","sp Carbon Chains Surrounded by sp3 Carbon Double Helices: Coordination-Driven Self-Assembly of Wirelike Pt(C\τbC)nPt Moieties That Are Spanned by Two P(CH2)mP Linkages","Journal of the American Chemical Society","2007","129","","8282","8295","10.1021/ja0716103","","","0.71073","MoKα","","0.0515","0.0342","","","0.0782","0.0983","","","","","","0.91","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109601","15.2004","0.0003","16.8315","0.0003","19.6584","0.0004","82.548","0.001","87.58","0.001","70.936","0.001","4713.52","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H112 F10 P4 Pt2 -","- C104 H112 F10 P4 Pt2 -","- C208 H224 F20 P8 Pt4 -","2","1","","Jürgen Stahl; Wolfgang Mohr; Laura de Quadras; Thomas B. Peters; James C. Bohling; José Miguel Martín-Alvarez; Gareth R. Owen; Frank Hampel; John A. Gladysz","sp Carbon Chains Surrounded by sp3 Carbon Double Helices: Coordination-Driven Self-Assembly of Wirelike Pt(C\τbC)nPt Moieties That Are Spanned by Two P(CH2)mP Linkages","Journal of the American Chemical Society","2007","129","","8282","8295","10.1021/ja0716103","","","0.71073","MoKα","","0.0898","0.0415","","","0.0871","0.1143","","","","","","1.064","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109602","15.882","0.003","30.726","0.006","13.287","0.003","90","","96.31","0.03","90","","6445","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C142 H176 F10 P4 Pt2 -","- C142 H176 F10 P4 Pt2 -","- C284 H352 F20 P8 Pt4 -","2","0.5","","Jürgen Stahl; Wolfgang Mohr; Laura de Quadras; Thomas B. Peters; James C. Bohling; José Miguel Martín-Alvarez; Gareth R. Owen; Frank Hampel; John A. Gladysz","sp Carbon Chains Surrounded by sp3 Carbon Double Helices: Coordination-Driven Self-Assembly of Wirelike Pt(C\τbC)nPt Moieties That Are Spanned by Two P(CH2)mP Linkages","Journal of the American Chemical Society","2007","129","","8282","8295","10.1021/ja0716103","","","0.71073","MoKα","","0.0971","0.0498","","","0.1032","0.1231","","","","","","0.951","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109603","18.225","0.0002","20.9677","0.0002","22.198","0.0002","110.275","0.001","101.084","0.001","95.346","0.001","7690.11","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C166.5 H204 F10 P4 Pt2 -","- C166.5 H203.5 F10 P4 Pt2 -","- C333 H407 F20 P8 Pt4 -","2","1","","Jürgen Stahl; Wolfgang Mohr; Laura de Quadras; Thomas B. Peters; James C. Bohling; José Miguel Martín-Alvarez; Gareth R. Owen; Frank Hampel; John A. Gladysz","sp Carbon Chains Surrounded by sp3 Carbon Double Helices: Coordination-Driven Self-Assembly of Wirelike Pt(C\τbC)nPt Moieties That Are Spanned by Two P(CH2)mP Linkages","Journal of the American Chemical Society","2007","129","","8282","8295","10.1021/ja0716103","","","0.71073","MoKα","","0.092","0.0437","","","0.0954","0.1114","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109604","10.768","0.002","18.49","0.004","21.761","0.004","87.21","0.03","82.72","0.03","84.57","0.03","4275.5","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H82 Cl6 F10 P4 Pt2 -","- C90 H82 Cl6 F10 P4 Pt2 -","- C180 H164 Cl12 F20 P8 Pt4 -","2","1","","Jürgen Stahl; Wolfgang Mohr; Laura de Quadras; Thomas B. Peters; James C. Bohling; José Miguel Martín-Alvarez; Gareth R. Owen; Frank Hampel; John A. Gladysz","sp Carbon Chains Surrounded by sp3 Carbon Double Helices: Coordination-Driven Self-Assembly of Wirelike Pt(C\τbC)nPt Moieties That Are Spanned by Two P(CH2)mP Linkages","Journal of the American Chemical Society","2007","129","","8282","8295","10.1021/ja0716103","","","0.71073","MoKα","","0.0503","0.0355","","","0.0925","0.1038","","","","","","0.996","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109605","17.7012","0.0001","30.9833","0.0003","18.7178","0.0002","90","","103.174","0.001","90","","9995.45","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C116 H112 F10 P4 Pt2 -","- C116.001 H111 F10 P4 Pt2 -","- C464.004 H444 F40 P16 Pt8 -","4","1","","Jürgen Stahl; Wolfgang Mohr; Laura de Quadras; Thomas B. Peters; James C. Bohling; José Miguel Martín-Alvarez; Gareth R. Owen; Frank Hampel; John A. Gladysz","sp Carbon Chains Surrounded by sp3 Carbon Double Helices: Coordination-Driven Self-Assembly of Wirelike Pt(C\τbC)nPt Moieties That Are Spanned by Two P(CH2)mP Linkages","Journal of the American Chemical Society","2007","129","","8282","8295","10.1021/ja0716103","","","0.71073","MoKα","","0.1171","0.0488","","","0.1029","0.1351","","","","","","0.995","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109606","10.9876","0.0001","17.2761","0.0002","24.8047","0.0002","77.828","0.0006","79.3644","0.0006","87.8733","0.0005","4523.57","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C94.5 H93 Cl5 F10 P4 Pt2 -","- C94.519 H93 Cl5 F10 P4 Pt2 -","- C189.038 H186 Cl10 F20 P8 Pt4 -","2","1","","Jürgen Stahl; Wolfgang Mohr; Laura de Quadras; Thomas B. Peters; James C. Bohling; José Miguel Martín-Alvarez; Gareth R. Owen; Frank Hampel; John A. Gladysz","sp Carbon Chains Surrounded by sp3 Carbon Double Helices: Coordination-Driven Self-Assembly of Wirelike Pt(C\τbC)nPt Moieties That Are Spanned by Two P(CH2)mP Linkages","Journal of the American Chemical Society","2007","129","","8282","8295","10.1021/ja0716103","","","0.71073","MoKα","","0.0482","0.0396","","","0.104","0.1117","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109607","12.1498","0.0003","23.1843","0.0006","26.5928","0.0008","89.091","0.001","82.586","0.001","83.366","0.001","7378.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C108.67 H113.33 Cl1.33 F10 P4 Pt2 -","- C108.667 H113.333 Cl1.33333 F10 P4 Pt2 -","- C326 H340 Cl4 F30 P12 Pt6 -","3","1.5","","Jürgen Stahl; Wolfgang Mohr; Laura de Quadras; Thomas B. Peters; James C. Bohling; José Miguel Martín-Alvarez; Gareth R. Owen; Frank Hampel; John A. Gladysz","sp Carbon Chains Surrounded by sp3 Carbon Double Helices: Coordination-Driven Self-Assembly of Wirelike Pt(C\τbC)nPt Moieties That Are Spanned by Two P(CH2)mP Linkages","Journal of the American Chemical Society","2007","129","","8282","8295","10.1021/ja0716103","","","0.71073","MoKα","","0.1524","0.0757","","","0.1467","0.1781","","","","","","1.1","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109608","11.5289","0.0002","15.3365","0.0002","28.3205","0.0003","84.848","0.001","88.311","0.001","85.263","0.001","4968.94","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H61 F5 P2 Pt Si -","- C53.0015 H61 F5 P2 Pt Si -","- C212.006 H244 F20 P8 Pt4 Si4 -","4","2","","Laura de Quadras; Eike B. Bauer; Wolfgang Mohr; James C. Bohling; Thomas B. Peters; José Miguel Martín-Alvarez; Frank Hampel; John A. Gladysz","sp Carbon Chains Surrounded by sp3 Carbon Double Helices: Directed Syntheses of Wirelike Pt(C\τbC)nPt Moieties That Are Spanned by Two P(CH2)mP Linkages via Alkene Metathesis","Journal of the American Chemical Society","2007","129","","8296","8309","10.1021/ja071612n","","","0.71073","MoKα","","0.0531","0.0354","","","0.0886","0.1059","","","","","","1.038","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109609","11.123","0.002","13.502","0.003","16.601","0.003","71.73","0.03","84.61","0.03","78.49","0.03","2318.6","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H102 F10 O P4 Pt2 -","- C98 H102 F10 O P4 Pt2 -","- C98 H102 F10 O P4 Pt2 -","1","0.5","","Laura de Quadras; Eike B. Bauer; Wolfgang Mohr; James C. Bohling; Thomas B. Peters; José Miguel Martín-Alvarez; Frank Hampel; John A. Gladysz","sp Carbon Chains Surrounded by sp3 Carbon Double Helices: Directed Syntheses of Wirelike Pt(C\τbC)nPt Moieties That Are Spanned by Two P(CH2)mP Linkages via Alkene Metathesis","Journal of the American Chemical Society","2007","129","","8296","8309","10.1021/ja071612n","","","0.71073","MoKα","","0.078","0.0426","","","0.0956","0.115","","","","","","1.029","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109610","11.506","0.002","13.742","0.003","17.183","0.003","79.89","0.001","89.511","0.001","66.203","0.001","2441.5","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H124 F10 P4 Pt2 -","- C110 H124 F10 P4 Pt2 -","- C110 H124 F10 P4 Pt2 -","1","0.5","","Laura de Quadras; Eike B. Bauer; Wolfgang Mohr; James C. Bohling; Thomas B. Peters; José Miguel Martín-Alvarez; Frank Hampel; John A. Gladysz","sp Carbon Chains Surrounded by sp3 Carbon Double Helices: Directed Syntheses of Wirelike Pt(C\τbC)nPt Moieties That Are Spanned by Two P(CH2)mP Linkages via Alkene Metathesis","Journal of the American Chemical Society","2007","129","","8296","8309","10.1021/ja071612n","","","0.71073","MoKα","","0.0363","0.0292","","","0.0737","0.0774","","","","","","1.012","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109611","11.4","0.0002","14.377","0.0003","15.114","0.0003","83.968","0.001","80.358","0.001","80.128","0.001","2398.55","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H120 F10 P4 Pt2 -","- C108 H120 F10 P4 Pt2 -","- C108 H120 F10 P4 Pt2 -","1","0.5","","Laura de Quadras; Eike B. Bauer; Wolfgang Mohr; James C. Bohling; Thomas B. Peters; José Miguel Martín-Alvarez; Frank Hampel; John A. Gladysz","sp Carbon Chains Surrounded by sp3 Carbon Double Helices: Directed Syntheses of Wirelike Pt(C\τbC)nPt Moieties That Are Spanned by Two P(CH2)mP Linkages via Alkene Metathesis","Journal of the American Chemical Society","2007","129","","8296","8309","10.1021/ja071612n","","","0.71073","MoKα","","0.0395","0.0303","","","0.0712","0.0748","","","","","","1.019","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109612","39.914","0.008","11.143","0.002","22.639","0.005","90","","102.57","0.03","90","","9828","4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H120 F10 P4 Pt2 -","- C108 H120 F10 P4 Pt2 -","- C432 H480 F40 P16 Pt8 -","4","1","","Laura de Quadras; Eike B. Bauer; Wolfgang Mohr; James C. Bohling; Thomas B. Peters; José Miguel Martín-Alvarez; Frank Hampel; John A. Gladysz","sp Carbon Chains Surrounded by sp3 Carbon Double Helices: Directed Syntheses of Wirelike Pt(C\τbC)nPt Moieties That Are Spanned by Two P(CH2)mP Linkages via Alkene Metathesis","Journal of the American Chemical Society","2007","129","","8296","8309","10.1021/ja071612n","","","0.71073","MoKα","","0.078","0.0429","","","0.0998","0.1146","","","","","","0.977","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109613","11.802","0.0003","16.751","0.0003","25.733","0.0004","90","","91.186","0.0012","90","","5086.2","0.18","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H120 F10 P4 Pt2 -","- C112 H120 F10 P4 Pt2 -","- C224 H240 F20 P8 Pt4 -","2","0.5","","Laura de Quadras; Eike B. Bauer; Wolfgang Mohr; James C. Bohling; Thomas B. Peters; José Miguel Martín-Alvarez; Frank Hampel; John A. Gladysz","sp Carbon Chains Surrounded by sp3 Carbon Double Helices: Directed Syntheses of Wirelike Pt(C\τbC)nPt Moieties That Are Spanned by Two P(CH2)mP Linkages via Alkene Metathesis","Journal of the American Chemical Society","2007","129","","8296","8309","10.1021/ja071612n","","","0.71073","MoKα","","0.0813","0.0492","","","0.1187","0.1344","","","","","","1.06","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109614","6.947","0.0012","9.8537","0.0017","14.9","0.003","75.203","0.002","89.945","0.002","78.979","0.002","966.7","0.3","100","0.1","100","0.2","","","","","","","","3","P -1","-P 1","2","frojh01","","","- C21 H26 O6 -","- C21 H26 O6 -","- C42 H52 O12 -","2","1","","Jie Huang; Alison J. Frontier","Development of a Nazarov Cyclization/Wagner-Meerwein Rearrangement Sequence for the Stereoselective Synthesis of Spirocycles","Journal of the American Chemical Society","2007","129","","8060","8061","10.1021/ja0716148","","","0.71073","MoKα","","0.0449","0.0353","","","0.0946","0.0997","","","","","","1.052","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109615","15.7112","0.0017","10.68","0.0012","11.8647","0.0013","90","","110.342","0.001","90","","1866.7","0.4","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","frojh04","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","","Jie Huang; Alison J. Frontier","Development of a Nazarov Cyclization/Wagner-Meerwein Rearrangement Sequence for the Stereoselective Synthesis of Spirocycles","Journal of the American Chemical Society","2007","129","","8060","8061","10.1021/ja0716148","","","0.71073","MoKα","","0.0436","0.0373","","","0.1017","0.1069","","","","","","1.036","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109616","12.621","0.0006","15.9424","0.0007","14.1817","0.0008","90","","104.468","0.002","90","","2763","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Cr N2 O2 -","- C29 H41 Cr N2 O2 -","- C116 H164 Cr4 N8 O8 -","4","1","","Yi-Chou Tsai; Po-Yang Wang; Shin-An Chen; Jin-Ming Chen","Inverted-Sandwich Dichromium(I) Complexes Supported by Two β-Diketiminates: A Multielectron Reductant and Syntheses of Chromium Dioxo and Imido","Journal of the American Chemical Society","2007","129","","8066","8067","10.1021/ja072003i","","","0.71073","MoKα","","0.1599","0.085","","","0.1931","0.2504","","","","","","1.109","","","","has coordinates,has disorder","178842","2020-10-21","18:00:00",""
"4109617","10.6436","0.0001","27.3407","0.0004","15.3227","0.0002","90","","101.695","0.001","90","","4366.39","0.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H63 Cr N4 -","- C47 H63 Cr N4 -","- C188 H252 Cr4 N16 -","4","1","","Yi-Chou Tsai; Po-Yang Wang; Shin-An Chen; Jin-Ming Chen","Inverted-Sandwich Dichromium(I) Complexes Supported by Two β-Diketiminates: A Multielectron Reductant and Syntheses of Chromium Dioxo and Imido","Journal of the American Chemical Society","2007","129","","8066","8067","10.1021/ja072003i","","","0.71073","MoKα","","0.1016","0.0692","","","0.1766","0.2083","","","","","","1.096","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109618","12.136","0.0003","12.864","0.0005","13.146","0.0005","89.143","0.001","66.039","0.001","68.073","0.002","1717.02","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H106 Cr2 N6 -","- C76 H106 Cr2 N6 -","- C76 H106 Cr2 N6 -","1","0.5","","Yi-Chou Tsai; Po-Yang Wang; Shin-An Chen; Jin-Ming Chen","Inverted-Sandwich Dichromium(I) Complexes Supported by Two β-Diketiminates: A Multielectron Reductant and Syntheses of Chromium Dioxo and Imido","Journal of the American Chemical Society","2007","129","","8066","8067","10.1021/ja072003i","","","0.71073","MoKα","","0.1607","0.0943","","","0.2298","0.2728","","","","","","1.083","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109619","17.7158","0.0002","15.384","0.0002","24.9281","0.0004","90","","107.906","0.001","90","","6464.82","0.16","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C65 H90 Cr2 N4 -","- C65 H90 Cr2 N4 -","- C260 H360 Cr8 N16 -","4","1","","Yi-Chou Tsai; Po-Yang Wang; Shin-An Chen; Jin-Ming Chen","Inverted-Sandwich Dichromium(I) Complexes Supported by Two β-Diketiminates: A Multielectron Reductant and Syntheses of Chromium Dioxo and Imido","Journal of the American Chemical Society","2007","129","","8066","8067","10.1021/ja072003i","","","0.71073","MoKα","","0.1093","0.064","","","0.1613","0.1815","","","","","","0.99","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109620","9.982","0.0003","17.5147","0.0006","24.8092","0.0008","99.753","0.002","92.355","0.002","103.755","0.002","4137.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42.5 H46 Cl6 Sb -","- C42.5 H46 Cl6 Sb -","- C170 H184 Cl24 Sb4 -","4","2","","Moloy Banerjee; Sergey V. Lindeman; Rajendra Rathore","Structural Characterization of Quaterphenyl Cation Radical: X-ray Crystallographic Evidence of Quinoidal Charge Delocalization in Poly-p-phenylene Cation Radicals","Journal of the American Chemical Society","2007","129","","8070","8071","10.1021/ja0720356","","","1.54178","CuKα","","0.0308","0.0261","","","0.0648","0.0669","","","","","","1.013","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109621","11.7185","0.0002","11.7394","0.0002","34.3511","0.0005","90","","92.989","0.001","90","","4719.19","0.13","100","2","100","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C32 H34 -","- C32 H34 -","- C256 H272 -","8","2","","Moloy Banerjee; Sergey V. Lindeman; Rajendra Rathore","Structural Characterization of Quaterphenyl Cation Radical: X-ray Crystallographic Evidence of Quinoidal Charge Delocalization in Poly-p-phenylene Cation Radicals","Journal of the American Chemical Society","2007","129","","8070","8071","10.1021/ja0720356","","","1.54178","CuKα","","0.0317","0.0313","","","0.0853","0.0858","","","","","","1.011","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109622","16.526","0.003","19.362","0.004","13.161","0.003","90","","126.411","0.003","90","","3389.1","1.2","200","2","200","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","[(i-Pr2Ph)2nacnacCr]2(N2)","","","- C68 H106 Cr2 N6 -","- C68 H106 Cr2 N6 -","- C136 H212 Cr4 N12 -","2","0.25","","Wesley H. Monillas; Glenn P. A. Yap; Leonard A. MacAdams; Klaus H. Theopold","Binding and Activation of Small Molecules by Three-Coordinate Cr(I)","Journal of the American Chemical Society","2007","129","","8090","8091","10.1021/ja0725549","","","0.71073","MoKα","","0.0649","0.0496","","","0.1287","0.1419","","","","","","1.052","","","","has coordinates,has disorder","178842","2020-10-21","18:00:00",""
"4109623","13.824","0.005","21.1","0.009","21.238","0.008","90","","93.91","0.03","90","","6180","4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[(i-Pr2Ph)2nacnacCr]2(CO)3","","","- C66 H94 Cr2 N4 O3 -","- C61 H82 Cr2 N4 O3 -","- C244 H328 Cr8 N16 O12 -","4","1","","Wesley H. Monillas; Glenn P. A. Yap; Leonard A. MacAdams; Klaus H. Theopold","Binding and Activation of Small Molecules by Three-Coordinate Cr(I)","Journal of the American Chemical Society","2007","129","","8090","8091","10.1021/ja0725549","","","0.71073","MoKα","","0.0756","0.0485","","","0.0915","0.0975","","","","","","1.016","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109624","8.9247","0.0014","14.565","0.002","21.197","0.003","90","","91.209","0.003","90","","2754.7","0.7","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[(i-Pr2Ph)2nacnacCr]2(C2H4)","","","- C60 H86 Cr2 N4 -","- C60 H86 Cr2 N4 -","- C120 H172 Cr4 N8 -","2","0.5","","Wesley H. Monillas; Glenn P. A. Yap; Leonard A. MacAdams; Klaus H. Theopold","Binding and Activation of Small Molecules by Three-Coordinate Cr(I)","Journal of the American Chemical Society","2007","129","","8090","8091","10.1021/ja0725549","","","0.71073","MoKα","","0.0772","0.0523","","","0.1342","0.1573","","","","","","1.015","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109625","12.6122","0.0003","15.9622","0.0003","14.1845","0.0001","90","","104.439","0.001","90","","2765.4","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Cr N2 O2 -","- C29 H41 Cr N2 O2 -","- C116 H164 Cr4 N8 O8 -","4","1","","Wesley H. Monillas; Glenn P. A. Yap; Leonard A. MacAdams; Klaus H. Theopold","Binding and Activation of Small Molecules by Three-Coordinate Cr(I)","Journal of the American Chemical Society","2007","129","","8090","8091","10.1021/ja0725549","","","0.71073","MoKα","","0.0965","0.0679","","","0.2418","0.2927","","","","","","1.071","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109626","17.737","0.008","19.148","0.008","23.533","0.008","90","","98.279","0.007","90","","7909","6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[(i-Pr2Ph)2nacnacCr]2(NPh)2","","","- C77.5 H107 Cr2 N6 O1.5 -","- C70 H92 Cr2 N6 -","- C280 H368 Cr8 N24 -","4","0.5","","Wesley H. Monillas; Glenn P. A. Yap; Leonard A. MacAdams; Klaus H. Theopold","Binding and Activation of Small Molecules by Three-Coordinate Cr(I)","Journal of the American Chemical Society","2007","129","","8090","8091","10.1021/ja0725549","","","0.71073","MoKα","","0.1473","0.0794","","","0.1789","0.1982","","","","","","1.139","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109627","8.77","0.0006","20.3186","0.0013","7.8056","0.0005","90","","110.552","0.001","90","","1302.39","0.15","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 -","- C36 H30 -","- C72 H60 -","2","0.5","","Vincent J. Chebny; Rajendra Rathore","Convergent Synthesis of Alternating Fluorene-p-xylene Oligomers and Delineation of the (Silver) Cation-Induced Folding","Journal of the American Chemical Society","2007","129","","8458","8465","10.1021/ja0687522","","","0.71073","MoKα","","0.0454","0.0404","","","0.0974","0.1009","","","","","","1.012","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109628","8.884","0.008","10.569","0.002","18.114","0.002","82.1","0.02","88.22","0.02","84.79","0.01","1677.4","1.6","113.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C44 H46 Cl10 Mn S16 Se8 -","- C44 H46 Cl10 Mn S16 Se8 -","- C44 H46 Cl10 Mn S16 Se8 -","1","1","","Hiroshi Ito; Daichi Suzuki; Harutaka Watanabe; Hisaaki Tanaka; Shin-ichi Kuroda; Masamichi Umemiya; Norihito Kobayashi; Makoto Goto; Ken-ichi Sugiura; Hitoshi Miyasaka; Shinya Takaishi; Takashi Kajiwara; Masahiro Yamashita; Eiji Ohmichi; Toshihito Osada","Metal-Insulator Transition of Charge-Transfer Salts Based on Unsymmetrical Donor DMET and Metal Halide Anions (DMET)4(MCl4)(TCE)2 (M = Mn, Co, Cu, Zn; TCE = 1,1,2-trichloroethane)","Journal of the American Chemical Society","2007","129","","8510","8518","10.1021/ja070672q","","","0.7107","MoKα","","","0.03","","","","0.082","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109629","8.919","0.005","10.512","0.002","17.912","0.002","83.21","0.02","88.43","0.02","84.81","0.01","1660.5","1","113.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C44 H46 Cl10 Cu S16 Se8 -","- C44 H46 Cl10 Cu S16 Se8 -","- C44 H46 Cl10 Cu S16 Se8 -","1","1","","Hiroshi Ito; Daichi Suzuki; Harutaka Watanabe; Hisaaki Tanaka; Shin-ichi Kuroda; Masamichi Umemiya; Norihito Kobayashi; Makoto Goto; Ken-ichi Sugiura; Hitoshi Miyasaka; Shinya Takaishi; Takashi Kajiwara; Masahiro Yamashita; Eiji Ohmichi; Toshihito Osada","Metal-Insulator Transition of Charge-Transfer Salts Based on Unsymmetrical Donor DMET and Metal Halide Anions (DMET)4(MCl4)(TCE)2 (M = Mn, Co, Cu, Zn; TCE = 1,1,2-trichloroethane)","Journal of the American Chemical Society","2007","129","","8510","8518","10.1021/ja070672q","","","0.7107","MoKα","","","0.029","","","","0.08","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109630","8.866","0.002","10.561","0.002","18.086","0.004","82.19","0.02","88.02","0.02","84.76","0.01","1670.3","0.6","113.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C44 H46 Cl10 Co S16 Se8 -","- C44 H46 Cl10 Co S16 Se8 -","- C44 H46 Cl10 Co S16 Se8 -","1","1","","Hiroshi Ito; Daichi Suzuki; Harutaka Watanabe; Hisaaki Tanaka; Shin-ichi Kuroda; Masamichi Umemiya; Norihito Kobayashi; Makoto Goto; Ken-ichi Sugiura; Hitoshi Miyasaka; Shinya Takaishi; Takashi Kajiwara; Masahiro Yamashita; Eiji Ohmichi; Toshihito Osada","Metal-Insulator Transition of Charge-Transfer Salts Based on Unsymmetrical Donor DMET and Metal Halide Anions (DMET)4(MCl4)(TCE)2 (M = Mn, Co, Cu, Zn; TCE = 1,1,2-trichloroethane)","Journal of the American Chemical Society","2007","129","","8510","8518","10.1021/ja070672q","","","0.7107","MoKα","","","0.03","","","","0.083","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109631","8.8579","0.001","10.5377","0.0011","18.06","0.002","82.204","0.003","88.008","0.003","84.742","0.003","1662.7","0.3","113.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C44 H46 Cl10 S16 Se8 Zn -","- C44 H46 Cl10 S16 Se8 Zn -","- C44 H46 Cl10 S16 Se8 Zn -","1","1","","Hiroshi Ito; Daichi Suzuki; Harutaka Watanabe; Hisaaki Tanaka; Shin-ichi Kuroda; Masamichi Umemiya; Norihito Kobayashi; Makoto Goto; Ken-ichi Sugiura; Hitoshi Miyasaka; Shinya Takaishi; Takashi Kajiwara; Masahiro Yamashita; Eiji Ohmichi; Toshihito Osada","Metal-Insulator Transition of Charge-Transfer Salts Based on Unsymmetrical Donor DMET and Metal Halide Anions (DMET)4(MCl4)(TCE)2 (M = Mn, Co, Cu, Zn; TCE = 1,1,2-trichloroethane)","Journal of the American Chemical Society","2007","129","","8510","8518","10.1021/ja070672q","","","0.7107","MoKα","","","0.037","","","","0.106","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109632","19.0403","0.0007","19.0403","0.0007","6.8527","0.0004","90","","90","","90","","2484.33","0.19","293","2","293","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C9 H12 Cu O7 -","- C9 H12 Cu O7 -","- C72 H96 Cu8 O56 -","8","0.5","","Ru-Qiang Zou; Hiroaki Sakurai; Song Han; Rui-Qin Zhong; Qiang Xu","Probing the Lewis Acid Sites and CO Catalytic Oxidation Activity of the Porous Metal-Organic Polymer [Cu(5-methylisophthalate)]","Journal of the American Chemical Society","2007","129","","8402","8403","10.1021/ja071662s","","","0.71069","MoKα","","0.0611","0.0517","","","0.1387","0.147","","","","","","1.084","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109633","8.1827","0.0016","11.172","0.002","12.991","0.003","72.06","0.03","88.64","0.03","75.98","0.03","1094.5","0.5","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H32 N2 O2 -","- C25 H32 N2 O2 -","- C50 H64 N4 O4 -","2","1","","Wonhee Jeong; James L. Hedrick; Robert M. Waymouth","Organic Spirocyclic Initiators for the Ring-Expansion Polymerization of β-Lactones","Journal of the American Chemical Society","2007","129","","8414","8415","10.1021/ja072037q","","","0.71073","MoKα","","0.119","0.0688","","","0.1894","0.2209","","","","","","1.046","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109634","19.7205","0.0003","19.7205","0.0003","22.9816","0.0004","90","","90","","120","","7740.1","0.2","273","2","273","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C98.67 H99.33 Cd8 S15 -","- C98 Cd8 S17 -","- C294 Cd24 S51 -","3","0.25","","Qichun Zhang; Xianhui Bu; Jian Zhang; Tao Wu; Pingyun Feng","Chiral Semiconductor Frameworks from Cadmium Sulfide Clusters","Journal of the American Chemical Society","2007","129","","8412","8413","10.1021/ja072274t","","","0.71073","MoKα","","0.0788","0.061","","","0.1643","0.1843","","","","","","1.039","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109635","27.919","0.002","27.919","0.002","30.995","0.005","90","","90","","120","","20923","4","273","2","273","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C182 H182 Cd17 S30 -","- C28 Cd17 S30 -","- C84 Cd51 S90 -","3","0.25","","Qichun Zhang; Xianhui Bu; Jian Zhang; Tao Wu; Pingyun Feng","Chiral Semiconductor Frameworks from Cadmium Sulfide Clusters","Journal of the American Chemical Society","2007","129","","8412","8413","10.1021/ja072274t","","","0.71073","MoKα","","0.1736","0.1516","","","0.4061","0.4248","","","","","","1.944","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109636","62.8179","0.0007","20.1911","0.0002","41.4214","0.0005","90","","127.74","0.001","90","","41546.3","1","273","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C324 H270 Cd33 S60 -","- C366 Cd33 S60 -","- C1464 Cd132 S240 -","4","0.5","","Qichun Zhang; Xianhui Bu; Jian Zhang; Tao Wu; Pingyun Feng","Chiral Semiconductor Frameworks from Cadmium Sulfide Clusters","Journal of the American Chemical Society","2007","129","","8412","8413","10.1021/ja072274t","","","0.71073","MoKα","","0.1207","0.0741","","","0.2138","0.255","","","","","","1.044","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109637","34.1978","0.0003","34.1978","0.0003","45.9516","0.0005","90","","90","","120","","46540.1","0.8","273","2","273","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C98.67 H99.33 Cd8 S15 -","- C98.6667 H99.3333 Cd8 S15 -","- C1776 H1788 Cd144 S270 -","18","1.5","","Qichun Zhang; Xianhui Bu; Jian Zhang; Tao Wu; Pingyun Feng","Chiral Semiconductor Frameworks from Cadmium Sulfide Clusters","Journal of the American Chemical Society","2007","129","","8412","8413","10.1021/ja072274t","","","0.71073","MoKα","","0.0828","0.0444","","","0.0987","0.1212","","","","","","1.063","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109638","12.756","0.003","15.622","0.003","18.567","0.004","98.15","0.03","109.09","0.03","93.92","0.03","3435","1.5","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H15 B F16 N4 O6 S2 -","- C29 H15 B F16 N4 O6 S2 -","- C116 H60 B4 F64 N16 O24 S8 -","4","2","","Dragoslav Vidovic; Michael Findlater; Alan H. Cowley","A β-Diketiminate-Supported Boron Dication","Journal of the American Chemical Society","2007","129","","8436","8437","10.1021/ja072865j","","","0.71073","MoKα","","0.2818","0.0777","","","0.178","0.2902","","","","","","0.941","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109639","7.7912","0.0016","13.764","0.003","24.388","0.005","90","","96","0.03","90","","2601","1","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H7 B F16 N2 O6 S2 -","- C19 H7 B F16 N2 O6 S2 -","- C76 H28 B4 F64 N8 O24 S8 -","4","1","","Dragoslav Vidovic; Michael Findlater; Alan H. Cowley","A β-Diketiminate-Supported Boron Dication","Journal of the American Chemical Society","2007","129","","8436","8437","10.1021/ja072865j","","","0.71073","MoKα","","0.1786","0.0671","","","0.1501","0.2174","","","","","","1.018","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109640","10.4084","0.001","13.4073","0.0012","13.5183","0.0012","95.107","0.002","101.913","0.001","105.403","0.001","1758.7","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H43 Cl4 N4 O13 Pt2 S2 -","- C16 H43 Cl4 N4 O13 Pt2 S2 -","- C32 H86 Cl8 N8 O26 Pt4 S4 -","2","1","","Rodney P. Feazell; Nozomi Nakayama-Ratchford; Hongjie Dai; Stephen J. Lippard","Soluble Single-Walled Carbon Nanotubes as Longboat Delivery Systems for Platinum(IV) Anticancer Drug Design","Journal of the American Chemical Society","2007","129","","8438","8439","10.1021/ja073231f","","","0.71073","MoKα","","0.0657","0.0483","","","0.1241","0.1316","","","","","","0.997","","","","has coordinates,has disorder","178842","2020-10-21","18:00:00",""
"4109641","19.4766","0.001","11.8014","0.0005","9.9226","0.0006","90","","90","","90","","2280.7","0.2","200","","","","","","","","","","","7","P b a n :2","-P 2ab 2b","50","","","","- C40 H44 B2 Cu2 F8 N8 O8 -","- C40 H44 B2 Cu2 F8 N8 O8 -","- C80 H88 B4 Cu4 F16 N16 O16 -","2","0.25","","Marie Hutin; Christopher J. Cramer; Laura Gagliardi; Abdul Rehaman Moughal Shahi; Gérald Bernardinelli; Radovan Cerny; Jonathan R. Nitschke","Self-Sorting Chiral Subcomponent Rearrangement During Crystallization","Journal of the American Chemical Society","2007","129","","8774","8780","10.1021/ja070320j","","","0.71073","MoKα","","","0.037","","","","0.037","","","","","","1.84","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109642","10.076","0.006","15.656","0.007","7.341","0.003","90","","111.081","0.007","90","","1080.5","0.9","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O2 S -","- C11 H13 N O2 S -","- C44 H52 N4 O8 S4 -","4","1","","Bani Kanta Sarma; Govindasamy Mugesh","Redox Regulation of Protein Tyrosine Phosphatase 1B (PTP1B): A Biomimetic Study on the Unexpected Formation of a Sulfenyl Amide Intermediate","Journal of the American Chemical Society","2007","129","","8872","8881","10.1021/ja070410o","","","0.71073","MoKα","","0.0623","0.0588","","","0.1814","0.1871","","","","","","0.796","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109643","9.4859","0.0014","9.7695","0.0015","10.9072","0.0017","90.233","0.002","112.003","0.002","117.918","0.002","808","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N2 O3 S -","- C16 H20 N2 O3 S -","- C32 H40 N4 O6 S2 -","2","1","","Bani Kanta Sarma; Govindasamy Mugesh","Redox Regulation of Protein Tyrosine Phosphatase 1B (PTP1B): A Biomimetic Study on the Unexpected Formation of a Sulfenyl Amide Intermediate","Journal of the American Chemical Society","2007","129","","8872","8881","10.1021/ja070410o","","","0.71073","MoKα","","0.0466","0.0381","","","0.1131","0.1203","","","","","","0.931","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109644","14.756","0.003","12.877","0.003","21.175","0.004","90","","105.42","0.03","90","","3878.7","1.5","124","2","124","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H57 N P2 Si Ti -","- C37 H57 N P2 Si Ti -","- C148 H228 N4 P8 Si4 Ti4 -","4","1","","Brad C. Bailey; Hongjun Fan; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Intermolecular C-H Bond Activation Reactions Promoted by Transient Titanium Alkylidynes. Synthesis, Reactivity, Kinetic, and Theoretical Studies of the Ti\τbC Linkage","Journal of the American Chemical Society","2007","129","","8781","8793","10.1021/ja070989q","","","0.71073","MoKα","","0.0861","0.0366","","","0.0785","0.0906","","","","","","0.84","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109645","10.2211","0.0008","13.1095","0.0011","15.5962","0.0013","71.05","0.002","81.016","0.002","81.334","0.002","1941.1","0.3","128","2","128","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.5 H57 N P2 Ti -","- C41.48 H56.952 N P2 Ti -","- C82.96 H113.904 N2 P4 Ti2 -","2","1","","Brad C. Bailey; Hongjun Fan; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Intermolecular C-H Bond Activation Reactions Promoted by Transient Titanium Alkylidynes. Synthesis, Reactivity, Kinetic, and Theoretical Studies of the Ti\τbC Linkage","Journal of the American Chemical Society","2007","129","","8781","8793","10.1021/ja070989q","","","0.71073","MoKα","","0.0581","0.0395","","","0.0939","0.1017","","","","","","0.931","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4109646","18.246","0.004","10.605","0.002","20.861","0.004","90","","115.05","0.004","90","","3656.9","1.3","119","2","119","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H54 F N P2 Ti -","- C37 H54 F N P2 Ti -","- C148 H216 F4 N4 P8 Ti4 -","4","1","","Brad C. Bailey; Hongjun Fan; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Intermolecular C-H Bond Activation Reactions Promoted by Transient Titanium Alkylidynes. Synthesis, Reactivity, Kinetic, and Theoretical Studies of the Ti\τbC Linkage","Journal of the American Chemical Society","2007","129","","8781","8793","10.1021/ja070989q","","","0.71073","MoKα","","0.0804","0.0706","","","0.1321","0.1357","","","","","","1.334","","","","has coordinates,has disorder","178842","2020-10-21","18:00:00",""
"4109647","18.394","0.006","10.618","0.003","21.012","0.005","90","","115.348","0.012","90","","3708.7","1.9","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H53 F2 N P2 Ti -","- C37 H53 F2 N P2 Ti -","- C148 H212 F8 N4 P8 Ti4 -","4","1","","Brad C. Bailey; Hongjun Fan; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Intermolecular C-H Bond Activation Reactions Promoted by Transient Titanium Alkylidynes. Synthesis, Reactivity, Kinetic, and Theoretical Studies of the Ti\τbC Linkage","Journal of the American Chemical Society","2007","129","","8781","8793","10.1021/ja070989q","","","0.71073","MoKα","","0.0538","0.0331","","","0.0785","0.0889","","","","","","0.965","","","","has coordinates,has disorder","178842","2020-10-21","18:00:00",""
"4109648","9.8171","0.0006","11.5483","0.0007","17.3755","0.0011","107.337","0.002","100.478","0.002","100.705","0.002","1787.59","0.19","121","2","121","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H53 F2 N P2 Ti -","- C37 H53 F2 N P2 Ti -","- C74 H106 F4 N2 P4 Ti2 -","2","1","","Brad C. Bailey; Hongjun Fan; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Intermolecular C-H Bond Activation Reactions Promoted by Transient Titanium Alkylidynes. Synthesis, Reactivity, Kinetic, and Theoretical Studies of the Ti\τbC Linkage","Journal of the American Chemical Society","2007","129","","8781","8793","10.1021/ja070989q","","","0.71073","MoKα","","0.0469","0.0324","","","0.081","0.0873","","","","","","0.971","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109649","12.0708","0.0015","12.3733","0.0015","16.301","0.002","86.114","0.003","81.525","0.003","86.766","0.003","2399.9","0.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H73 N O2 P2 Si4 Ti -","- C38 H73 N O2 P2 Si4 Ti -","- C76 H146 N2 O4 P4 Si8 Ti2 -","2","1","","Brad C. Bailey; Hongjun Fan; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Intermolecular C-H Bond Activation Reactions Promoted by Transient Titanium Alkylidynes. Synthesis, Reactivity, Kinetic, and Theoretical Studies of the Ti\τbC Linkage","Journal of the American Chemical Society","2007","129","","8781","8793","10.1021/ja070989q","","","0.71073","MoKα","","0.0476","0.0332","","","0.0854","0.0917","","","","","","0.968","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109650","19.8779","0.0018","12.7806","0.0013","16.4494","0.0017","90","","112.072","0.003","90","","3872.7","0.7","128","2","128","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 F10 N P2 Ti -","- C40 H43 F10 N P2 Ti -","- C160 H172 F40 N4 P8 Ti4 -","4","1","","Brad C. Bailey; Hongjun Fan; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Intermolecular C-H Bond Activation Reactions Promoted by Transient Titanium Alkylidynes. Synthesis, Reactivity, Kinetic, and Theoretical Studies of the Ti\τbC Linkage","Journal of the American Chemical Society","2007","129","","8781","8793","10.1021/ja070989q","","","0.71073","MoKα","","0.086","0.0398","","","0.0718","0.0811","","","","","","0.739","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109651","11.545","0.003","29.626","0.007","12.883","0.003","90","","94.026","0.007","90","","4395.5","1.9","130","2","130","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C35 H65 F3 N3 O3 Os P2 S Si2 -","- C35 H65 F3 N3 O3 Os P2 S Si2 -","- C140 H260 F12 N12 O12 Os4 P8 S4 Si8 -","4","1","","Joo-Ho Lee; Maren Pink; John Tomaszewski; Hongjun Fan; Kenneth G. Caulton","Facile Hydrogenation of N2O by an Operationally Unsaturated Osmium Polyhydride","Journal of the American Chemical Society","2007","129","","8706","8707","10.1021/ja071452f","","","0.71073","MoKα","","0.099","0.0593","","","0.1559","0.2142","","","","","","1.161","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109652","11.4598","0.0013","14.7501","0.0016","19.338","0.002","95.346","0.002","93.168","0.002","91.184","0.002","3248.5","0.6","193","2","193","2","","","","","","","","4","P -1","-P 1","2","jonag01","Ni(dippe)(PhCCPh), 1","","- C33.5 H51.5 P2 Pt -","- C33.5 H51.5 P2 Pt -","- C134 H206 P8 Pt4 -","4","2","","Ahmet Gunay; William D. Jones","Cleavage of Carbon-Carbon Bonds of Diphenylacetylene and Its Derivatives via Photolysis of Pt Complexes: Tuning the C-C Bond Formation Energy toward Selective C-C Bond Activation","Journal of the American Chemical Society","2007","129","","8729","8735","10.1021/ja071698k","","","0.71073","MoKα","","0.0893","0.0409","","","0.0504","0.0582","","","","","","0.98","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109653","11.295","0.0007","14.0515","0.0009","19.2277","0.0012","90","","90","","90","","3051.7","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","jonag04","Ni(dippe)(Ph)(CCPh), 2","","- C32 H50 P2 Pt -","- C32 H50 P2 Pt -","- C128 H200 P8 Pt4 -","4","1","","Ahmet Gunay; William D. Jones","Cleavage of Carbon-Carbon Bonds of Diphenylacetylene and Its Derivatives via Photolysis of Pt Complexes: Tuning the C-C Bond Formation Energy toward Selective C-C Bond Activation","Journal of the American Chemical Society","2007","129","","8729","8735","10.1021/ja071698k","","","0.71073","MoKα","","0.0137","0.0136","","","0.0343","0.0343","","","","","","1.071","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109654","11.5387","0.0006","30.3901","0.0014","21.5616","0.001","90","","103.6","0.001","90","","7348.8","0.6","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","jonag09","Ni(dippe)(xyly-lCC-xylyl), 3","","- C37.25 H61 P2 Pt -","- C37.25 H61 P2 Pt -","- C298 H488 P16 Pt8 -","8","2","","Ahmet Gunay; William D. Jones","Cleavage of Carbon-Carbon Bonds of Diphenylacetylene and Its Derivatives via Photolysis of Pt Complexes: Tuning the C-C Bond Formation Energy toward Selective C-C Bond Activation","Journal of the American Chemical Society","2007","129","","8729","8735","10.1021/ja071698k","","","0.71073","MoKα","","0.0631","0.0352","","","0.0649","0.0718","","","","","","1.023","","","","has coordinates,has disorder","178842","2020-10-21","18:00:00",""
"4109655","18.761","0.003","8.497","0.0011","21.895","0.003","90","","90","","90","","3490.3","0.9","150","0.1","150","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","jonag16","Ni(dippe)(xylyl)(CCxylyl), 4","","- C36 H58 P2 Pt -","- C36 H58 P2 Pt -","- C144 H232 P8 Pt4 -","4","1","","Ahmet Gunay; William D. Jones","Cleavage of Carbon-Carbon Bonds of Diphenylacetylene and Its Derivatives via Photolysis of Pt Complexes: Tuning the C-C Bond Formation Energy toward Selective C-C Bond Activation","Journal of the American Chemical Society","2007","129","","8729","8735","10.1021/ja071698k","","","0.71073","MoKα","","0.0585","0.0461","","","0.1063","0.1104","","","","","","1.063","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109656","11.5771","0.0011","15.9774","0.0016","17.4246","0.0017","87.828","0.002","79.322","0.002","86.895","0.002","3161.3","0.5","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","jonag11","Ni(dippe)(C6H4F-CC-C6H4F), 5","","- C32 H48 F2 P2 Pt -","- C32 H48 F2 P2 Pt -","- C128 H192 F8 P8 Pt4 -","4","2","","Ahmet Gunay; William D. Jones","Cleavage of Carbon-Carbon Bonds of Diphenylacetylene and Its Derivatives via Photolysis of Pt Complexes: Tuning the C-C Bond Formation Energy toward Selective C-C Bond Activation","Journal of the American Chemical Society","2007","129","","8729","8735","10.1021/ja071698k","","","0.71073","MoKα","","0.0206","0.0187","","","0.0481","0.0494","","","","","","1.043","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109657","11.165","0.003","16.904","0.004","17.303","0.004","83.378","0.004","79.094","0.004","80.893","0.004","3153.9","1.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","jonag18","Ni(dippe)(C6H4F)(CCC6H4F), 6","","- C32 H48 F2 P2 Pt -","- C32 H48 F2 P2 Pt -","- C128 H192 F8 P8 Pt4 -","4","2","","Ahmet Gunay; William D. Jones","Cleavage of Carbon-Carbon Bonds of Diphenylacetylene and Its Derivatives via Photolysis of Pt Complexes: Tuning the C-C Bond Formation Energy toward Selective C-C Bond Activation","Journal of the American Chemical Society","2007","129","","8729","8735","10.1021/ja071698k","","","0.71073","MoKα","","0.0999","0.0524","","","0.0867","0.094","","","","","","0.988","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109658","14.704","0.0004","20.8268","0.0004","11.4067","0.0002","90","","107.311","0.001","90","","3334.93","0.13","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","jonag15","Ni(dippe)(C6F5-CC-C6F5) , 7","","- C32 H40 F10 P2 Pt -","- C32 H40 F10 P2 Pt -","- C128 H160 F40 P8 Pt4 -","4","0.5","","Ahmet Gunay; William D. Jones","Cleavage of Carbon-Carbon Bonds of Diphenylacetylene and Its Derivatives via Photolysis of Pt Complexes: Tuning the C-C Bond Formation Energy toward Selective C-C Bond Activation","Journal of the American Chemical Society","2007","129","","8729","8735","10.1021/ja071698k","","","0.71073","MoKα","","0.0289","0.0287","","","0.0713","0.0714","","","","","","1.043","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109659","13.7736","0.0004","11.3542","0.0003","21.5728","0.0006","90","","104.269","0.001","90","","3269.65","0.16","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonag06","Ni(dippe)(C6F5)(-CC-C6F5), 8","","- C32 H40 F10 P2 Pt -","- C32 H40 F10 P2 Pt -","- C128 H160 F40 P8 Pt4 -","4","1","","Ahmet Gunay; William D. Jones","Cleavage of Carbon-Carbon Bonds of Diphenylacetylene and Its Derivatives via Photolysis of Pt Complexes: Tuning the C-C Bond Formation Energy toward Selective C-C Bond Activation","Journal of the American Chemical Society","2007","129","","8729","8735","10.1021/ja071698k","","","0.71073","MoKα","","0.0152","0.0135","","","0.0323","0.0328","","","","","","1.037","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109660","31.7594","0.0016","18.1394","0.0009","16.7047","0.0008","90","","95.896","0.001","90","","9572.6","0.8","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jonag14","Ni(dippe)(C6H4F-CC-C6H4Me) , 9","","- C33 H51 F P2 Pt -","- C33 H51 F P2 Pt -","- C396 H612 F12 P24 Pt12 -","12","3","","Ahmet Gunay; William D. Jones","Cleavage of Carbon-Carbon Bonds of Diphenylacetylene and Its Derivatives via Photolysis of Pt Complexes: Tuning the C-C Bond Formation Energy toward Selective C-C Bond Activation","Journal of the American Chemical Society","2007","129","","8729","8735","10.1021/ja071698k","","","0.71073","MoKα","","0.0826","0.0472","","","0.1052","0.1161","","","","","","1.028","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109661","44.003","0.003","9.1458","0.0007","16.5713","0.0013","90","","106.285","0.001","90","","6401.4","0.8","150","0.1","150","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","jonag17","Ni(dippe)(C6H4Me)(-CC-C6H4F), 11","","- C33 H51 F P2 Pt -","- C33 H51 F P2 Pt -","- C264 H408 F8 P16 Pt8 -","8","1","","Ahmet Gunay; William D. Jones","Cleavage of Carbon-Carbon Bonds of Diphenylacetylene and Its Derivatives via Photolysis of Pt Complexes: Tuning the C-C Bond Formation Energy toward Selective C-C Bond Activation","Journal of the American Chemical Society","2007","129","","8729","8735","10.1021/ja071698k","","","0.71073","MoKα","","0.1089","0.051","","","0.092","0.1058","","","","","","1.015","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109662","11.18","0.002","12.7666","0.0012","14.9496","0.0008","82.42","0.006","76.793","0.009","81.588","0.012","2044.2","0.4","","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H22 B Cu F20 N4 O -","- C44 H22 B Cu F20 N4 O -","- C88 H44 B2 Cu2 F40 N8 O2 -","2","1","","Debabrata Maiti; Julia S. Woertink; Michael A. Vance; Ashley E. Milligan; Amy A. Narducci Sarjeant; Edward I. Solomon; Kenneth D. Karlin","Copper(I)/S8 Reversible Reactions Leading to an End-On Bound Dicopper(II) Disulfide Complex: Nucleophilic Reactivity and Analogies to Copper-Dioxygen Chemistry","Journal of the American Chemical Society","2007","129","","8882","8892","10.1021/ja071968z","","","0.71073","MoKα","","0.0683","0.0464","","","0.1214","0.1352","","","","","","1.034","","","","has coordinates,has disorder","178842","2020-10-21","18:00:00",""
"4109663","11.5209","0.0012","18.2716","0.0018","20.591","0.002","90","","98.764","0.009","90","","4283.9","0.7","110","","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H22 B Br Cu F20 N4 O -","- C44 H22 B Br Cu F20 N4 O -","- C176 H88 B4 Br4 Cu4 F80 N16 O4 -","4","1","","Debabrata Maiti; Julia S. Woertink; Michael A. Vance; Ashley E. Milligan; Amy A. Narducci Sarjeant; Edward I. Solomon; Kenneth D. Karlin","Copper(I)/S8 Reversible Reactions Leading to an End-On Bound Dicopper(II) Disulfide Complex: Nucleophilic Reactivity and Analogies to Copper-Dioxygen Chemistry","Journal of the American Chemical Society","2007","129","","8882","8892","10.1021/ja071968z","","","0.71073","MoKα","","0.1185","0.0822","","","0.112","0.1261","","","","","","1.203","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109664","11.431","0.0015","18.2","0.002","20.593","0.003","90","","99.343","0.011","90","","4227.4","1","110","","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H22 B Cl Cu F20 N4 O -","- C44 H22 B Cl Cu F20 N4 O -","- C176 H88 B4 Cl4 Cu4 F80 N16 O4 -","4","1","","Debabrata Maiti; Julia S. Woertink; Michael A. Vance; Ashley E. Milligan; Amy A. Narducci Sarjeant; Edward I. Solomon; Kenneth D. Karlin","Copper(I)/S8 Reversible Reactions Leading to an End-On Bound Dicopper(II) Disulfide Complex: Nucleophilic Reactivity and Analogies to Copper-Dioxygen Chemistry","Journal of the American Chemical Society","2007","129","","8882","8892","10.1021/ja071968z","","","0.71073","MoKα","","0.1096","0.0499","","","0.0903","0.1098","","","","","","0.962","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109665","18.323","0.002","18.073","0.002","17.688","0.002","90","","93.657","0.002","90","","5845.5","1.1","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C61.25 H81.5 B Cl0.5 N2 Os P2 -","- C61.255 H81 B Cl0.5 N2 Os P2 -","- C245.02 H324 B4 Cl2 N8 Os4 P8 -","4","1","","Tamara Bolaño; Ricardo Castarlenas; Miguel A. Esteruelas; Enrique Oñate","Sequential and Selective Hydrogenation of the Cα-Cβ and M-Cα Double Bonds of an Allenylidene Ligand Coordinated to Osmium: New Reaction Patterns between an Allenylidene Complex and Alcohols","Journal of the American Chemical Society","2007","129","","8850","8859","10.1021/ja071972a","","","0.71073","MoKα","","0.1134","0.0668","","","0.1518","0.1735","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109666","14.6813","0.0019","13.9813","0.0017","21.656","0.003","90","","90.816","0.002","90","","4444.7","1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H67 B F4 N O1.5 Os P2 -","- C43 H67 B F4 N O1.5 Os P2 -","- C172 H268 B4 F16 N4 O6 Os4 P8 -","4","1","","Tamara Bolaño; Ricardo Castarlenas; Miguel A. Esteruelas; Enrique Oñate","Sequential and Selective Hydrogenation of the Cα-Cβ and M-Cα Double Bonds of an Allenylidene Ligand Coordinated to Osmium: New Reaction Patterns between an Allenylidene Complex and Alcohols","Journal of the American Chemical Society","2007","129","","8850","8859","10.1021/ja071972a","","","0.71073","MoKα","","0.0748","0.0453","","","0.0684","0.0753","","","","","","0.884","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109667","7.2836","0.0002","16.2898","0.0004","35.9526","0.0009","90","","91.434","0.002","90","","4264.38","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H50 N6 O19 S3 -","- C28 H46 N6 O19 S3 -","- C112 H184 N24 O76 S12 -","4","1","","Victor W. Day; Md. Alamgir Hossain; Sung Ok Kang; Douglas Powell; Gerald Lushington; Kristin Bowman-James","Encircled Proton","Journal of the American Chemical Society","2007","129","","8692","8693","10.1021/ja0724745","","","0.71073","MoKα","","0.097","0.0764","","","0.1986","0.2103","","","","","","1.064","","","","has coordinates,has disorder","178842","2020-10-21","18:00:00",""
"4109668","10.2885","0.0003","28.3264","0.0009","18.4643","0.0006","90","","94.224","0.002","90","","5366.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H84 Cr2 Li4 O8 -","- C56 H84 Cr2 Li4 O8 -","- C224 H336 Cr8 Li16 O32 -","4","1","","Holger Braunschweig; Thomas Kupfer; Matthias Lutz; Krzysztof Radacki","Ansa [1]Trochrocenophanes and Their Related Unstrained 1,1'-Disubstituted Counterparts: Synthesis and Electronic Structure","Journal of the American Chemical Society","2007","129","","8893","8906","10.1021/ja0724947","","","0.71073","MoKα","","0.0765","0.0675","","","0.1837","0.2253","","","","","","1.15","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4109669","6.4925","0.0003","9.8498","0.0004","15.5959","0.0007","104.538","0.002","99.734","0.002","93.165","0.002","946.52","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 B Cr N Si2 -","- C18 H28 B Cr N Si2 -","- C36 H56 B2 Cr2 N2 Si4 -","2","1","","Holger Braunschweig; Thomas Kupfer; Matthias Lutz; Krzysztof Radacki","Ansa [1]Trochrocenophanes and Their Related Unstrained 1,1'-Disubstituted Counterparts: Synthesis and Electronic Structure","Journal of the American Chemical Society","2007","129","","8893","8906","10.1021/ja0724947","","","0.71073","MoKα","","0.058","0.0417","","","0.1018","0.1099","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109670","10.8739","0.0002","14.2066","0.0003","16.5281","0.0004","90","","99.753","0.001","90","","2516.38","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H38 B2 Cl2 Cr N2 -","- C24 H38 B2 Cl2 Cr N2 -","- C96 H152 B8 Cl8 Cr4 N8 -","4","2","","Holger Braunschweig; Thomas Kupfer; Matthias Lutz; Krzysztof Radacki","Ansa [1]Trochrocenophanes and Their Related Unstrained 1,1'-Disubstituted Counterparts: Synthesis and Electronic Structure","Journal of the American Chemical Society","2007","129","","8893","8906","10.1021/ja0724947","","","0.71073","MoKα","","0.0302","0.0286","","","0.0703","0.0709","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109671","10.905","0.0006","7.8237","0.0005","14.4488","0.0008","90","","92.614","0.003","90","","1231.45","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cr Ge -","- C14 H16 Cr Ge -","- C56 H64 Cr4 Ge4 -","4","1","","Holger Braunschweig; Thomas Kupfer; Matthias Lutz; Krzysztof Radacki","Ansa [1]Trochrocenophanes and Their Related Unstrained 1,1'-Disubstituted Counterparts: Synthesis and Electronic Structure","Journal of the American Chemical Society","2007","129","","8893","8906","10.1021/ja0724947","","","0.71073","MoKα","","0.0402","0.0338","","","0.0791","0.0818","","","","","","1.118","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109672","10.7402","0.0008","7.7821","0.0006","15.8286","0.0011","90","","97.715","0.004","90","","1311","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 Cr -","- C18 H16 Cr -","- C72 H64 Cr4 -","4","2","","Holger Braunschweig; Thomas Kupfer; Matthias Lutz; Krzysztof Radacki","Ansa [1]Trochrocenophanes and Their Related Unstrained 1,1'-Disubstituted Counterparts: Synthesis and Electronic Structure","Journal of the American Chemical Society","2007","129","","8893","8906","10.1021/ja0724947","","","0.71073","MoKα","","0.0336","0.0314","","","0.0854","0.0879","","","","","","1.134","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109673","10.2779","0.0006","12.5838","0.0007","18.0772","0.001","84.103","0.004","84.059","0.005","68.424","0.005","2157.2","0.2","110","","110","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C45 H81 B P2 Ru -","- C45 H81 B P2 Ru -","- C90 H162 B2 P4 Ru2 -","2","1","","Gilles Alcaraz; Eric Clot; Ulrike Helmstedt; Laure Vendier; Sylviane Sabo-Etienne","Mesitylborane as a Bis(σ-B-H) Ligand: An Unprecedented Bonding Mode to a Metal Center","Journal of the American Chemical Society","2007","129","","8704","8705","10.1021/ja0733538","","","","MoKα","","0.0829","0.0408","","","0.0823","0.0946","","","","","","0.96","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109674","9.846","0.0004","25.7081","0.0013","15.1519","0.0006","90","","91.535","0.002","90","","3833.9","0.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 B2 Cl4 Co F4 N6 O4 -","- C34 H30 B2 Cl4 Co F4 N6 O4 -","- C136 H120 B8 Cl16 Co4 F16 N24 O16 -","4","0.5","","Xile Hu; Bruce S. Brunschwig; Jonas C. Peters","Electrocatalytic Hydrogen Evolution at Low Overpotentials by Cobalt Macrocyclic Glyoxime and Tetraimine Complexes","Journal of the American Chemical Society","2007","129","","8988","8998","10.1021/ja067876b","","","0.71073","MoKα","","0.1344","0.0619","","","0.0901","0.1009","","","","","","1.316","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109675","12.444","0.002","14.709","0.003","29.884","0.006","90","","93.319","0.005","90","","5460.8","1.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40.44 H47.33 B1.6 Co0.8 F3.2 N4.6 Na0.8 O10.21 -","- C40.4384 H45.8096 B1.6 Co0.8 F3.2 N4.6032 Na0.8 O10.208 -","- C202.192 H229.048 B8 Co4 F16 N23.016 Na4 O51.04 -","5","1.25","","Xile Hu; Bruce S. Brunschwig; Jonas C. Peters","Electrocatalytic Hydrogen Evolution at Low Overpotentials by Cobalt Macrocyclic Glyoxime and Tetraimine Complexes","Journal of the American Chemical Society","2007","129","","8988","8998","10.1021/ja067876b","","","0.71073","MoKα","","0.1016","0.0554","","","0.1489","0.1727","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109676","17.4769","0.0019","17.0447","0.0018","17.628","0.002","90","","113.106","0.012","90","","4829.9","1","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C47 H43 Cl6 N2 Ni O2 Sb -","- C47 H43 Cl6 N2 Ni O2 Sb -","- C188 H172 Cl24 N8 Ni4 O8 Sb4 -","4","0.5","","Dieter Meinhard; Marcus Wegner; Georgy Kipiani; Andrew Hearley; Peter Reuter; Stefan Fischer; Othmar Marti; Bernhard Rieger","New Nickel(II) Diimine Complexes and the Control of Polyethylene Microstructure by Catalyst Design","Journal of the American Chemical Society","2007","129","","9182","9191","10.1021/ja070224i","","","0.71073","MoKα","","0.0789","0.052","","","0.1371","0.1481","","","","","","1.052","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109677","12.1837","0.0013","28.421","0.003","26.328","0.003","90","","99.123","0.014","90","","9001.4","1.7","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Gosha - Name","","","- C85 H71 B F20 N2 Ni O2 -","- C85 H71 B F20 N2 Ni O2 -","- C340 H284 B4 F80 N8 Ni4 O8 -","4","1","","Dieter Meinhard; Marcus Wegner; Georgy Kipiani; Andrew Hearley; Peter Reuter; Stefan Fischer; Othmar Marti; Bernhard Rieger","New Nickel(II) Diimine Complexes and the Control of Polyethylene Microstructure by Catalyst Design","Journal of the American Chemical Society","2007","129","","9182","9191","10.1021/ja070224i","","","0.71073","MoKα","","0.1378","0.0788","","","0.2282","0.2601","","","","","","1.033","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4109678","13.518","0.003","14.663","0.003","16.499","0.003","92.87","0.03","90.92","0.03","94.06","0.03","3257.4","1.2","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C70 H33 B Cl2 F28 N2 Ni O2 -","- C70 H33 B Cl2 F28 N2 Ni O2 -","- C140 H66 B2 Cl4 F56 N4 Ni2 O4 -","2","2","","Dieter Meinhard; Marcus Wegner; Georgy Kipiani; Andrew Hearley; Peter Reuter; Stefan Fischer; Othmar Marti; Bernhard Rieger","New Nickel(II) Diimine Complexes and the Control of Polyethylene Microstructure by Catalyst Design","Journal of the American Chemical Society","2007","129","","9182","9191","10.1021/ja070224i","","","0.71073","MoKα","","0.1031","0.0379","","","0.0593","0.0722","","","","","","0.777","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109679","11.8808","0.0013","14.4953","0.0014","17.514","0.002","88.999","0.013","80.451","0.013","78.963","0.012","2919.1","0.6","223","2","223","2","","","","","","","","7","P -1","-P 1","2","Add Name","","","- C54 H57 Cl8 N2 Ni O2 Sb -","- C54 H57 Cl8 N2 Ni O2 Sb -","- C108 H114 Cl16 N4 Ni2 O4 Sb2 -","2","1","","Dieter Meinhard; Marcus Wegner; Georgy Kipiani; Andrew Hearley; Peter Reuter; Stefan Fischer; Othmar Marti; Bernhard Rieger","New Nickel(II) Diimine Complexes and the Control of Polyethylene Microstructure by Catalyst Design","Journal of the American Chemical Society","2007","129","","9182","9191","10.1021/ja070224i","","","0.71073","MoKα","","0.0716","0.0377","","","0.0844","0.0936","","","","","","0.785","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109680","7.4025","0.0012","11.353","0.0018","11.4856","0.0018","105.207","0.003","96.995","0.003","94.425","0.003","918.5","0.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","SSZ-35/C11H24N","","","- C11 H24 F N O32 Si16 -","- C11 H24 F N O32 Si16 -","- C11 H24 F N O32 Si16 -","1","0.5","","Stacey I. Zones; Allen W. Burton; Greg S. Lee; Marilyn M. Olmstead","A Study of Piperidinium Structure-Directing Agents in the Synthesis of Silica Molecular Sieves under Fluoride-Based Conditions","Journal of the American Chemical Society","2007","129","","9066","9079","10.1021/ja0709122","","","0.71073","MoKα","","0.0562","0.0405","","","0.0952","0.1001","","","","","","0.583","","","","has coordinates,has disorder","178842","2020-10-21","18:00:00",""
"4109681","15.5818","0.0017","13.1046","0.0015","9.34","0.001","90","","90","","90","","1907.2","0.4","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H19 Cl N O7 P -","- C17 H19 Cl N O7 P -","- C68 H76 Cl4 N4 O28 P4 -","4","0.5","","Bradley O. Ashburn; Rich G. Carter; Lev N. Zakharov","Synthesis of Tetra-ortho-substituted, Phosphorus-Containing and Carbonyl-Containing Biaryls Utilizing a Diels-Alder Approach","Journal of the American Chemical Society","2007","129","","9109","9116","10.1021/ja071163r","","","0.71073","MoKα","","0.091","0.072","","","0.1978","0.2173","","","","","","1.088","","","","has coordinates,has disorder","178842","2020-10-21","18:00:00",""
"4109682","10.1113","0.0004","10.0065","0.0004","27.0271","0.0011","90","","93.783","0.001","90","","2728.61","0.19","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 Br N O5 P -","- C32 H25 Br N O5 P -","- C128 H100 Br4 N4 O20 P4 -","4","1","","Bradley O. Ashburn; Rich G. Carter; Lev N. Zakharov","Synthesis of Tetra-ortho-substituted, Phosphorus-Containing and Carbonyl-Containing Biaryls Utilizing a Diels-Alder Approach","Journal of the American Chemical Society","2007","129","","9109","9116","10.1021/ja071163r","","","0.71073","MoKα","","0.0481","0.0361","","","0.0905","0.0962","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109683","10.0387","0.0006","12.4249","0.0008","14.4052","0.0009","95.172","0.001","108.764","0.001","112.644","0.001","1522.32","0.17","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H37 Br N O5 P -","- C32 H37 Br N O5 P -","- C64 H74 Br2 N2 O10 P2 -","2","1","","Bradley O. Ashburn; Rich G. Carter; Lev N. Zakharov","Synthesis of Tetra-ortho-substituted, Phosphorus-Containing and Carbonyl-Containing Biaryls Utilizing a Diels-Alder Approach","Journal of the American Chemical Society","2007","129","","9109","9116","10.1021/ja071163r","","","0.71073","MoKα","","0.1115","0.0539","","","0.118","0.1397","","","","","","1.015","","","","has coordinates,has disorder","178842","2020-10-21","18:00:00",""
"4109684","27.0204","0.0014","13.7732","0.0007","18.9387","0.001","90","","108.597","0.001","90","","6680.2","0.6","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H46 N O4 P -","- C39 H46 N O4 P -","- C312 H368 N8 O32 P8 -","8","1","","Bradley O. Ashburn; Rich G. Carter; Lev N. Zakharov","Synthesis of Tetra-ortho-substituted, Phosphorus-Containing and Carbonyl-Containing Biaryls Utilizing a Diels-Alder Approach","Journal of the American Chemical Society","2007","129","","9109","9116","10.1021/ja071163r","","","0.71073","MoKα","","0.0566","0.0448","","","0.1101","0.1194","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109685","11.473","0.0009","8.8646","0.0007","36.722","0.003","90","","93.992","0.001","90","","3725.7","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H53 N O5 P -","- C40 H46 N O5 P -","- C160 H184 N4 O20 P4 -","4","1","","Bradley O. Ashburn; Rich G. Carter; Lev N. Zakharov","Synthesis of Tetra-ortho-substituted, Phosphorus-Containing and Carbonyl-Containing Biaryls Utilizing a Diels-Alder Approach","Journal of the American Chemical Society","2007","129","","9109","9116","10.1021/ja071163r","","","0.71073","MoKα","","0.0669","0.0559","","","0.1378","0.1439","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109686","24.6647","0.0012","19.1622","0.0009","16.6761","0.0008","90","","90","","90","","7881.6","0.7","153","2","153","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C42 H45 F5 N O7 P -","- C38 H37 F5 N O5 P -","- C304 H296 F40 N8 O40 P8 -","8","1","","Bradley O. Ashburn; Rich G. Carter; Lev N. Zakharov","Synthesis of Tetra-ortho-substituted, Phosphorus-Containing and Carbonyl-Containing Biaryls Utilizing a Diels-Alder Approach","Journal of the American Chemical Society","2007","129","","9109","9116","10.1021/ja071163r","","","0.71073","MoKα","","0.0605","0.0429","","","0.107","0.1149","","","","","","1.055","","","","has coordinates,has disorder","178842","2020-10-21","18:00:00",""
"4109687","13.837","0.003","17.027","0.004","19.476","0.004","74.472","0.004","77.403","0.004","80.086","0.004","4283","1.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H53 Cl N O2 P -","- C42 H53 Cl N O2 P -","- C168 H212 Cl4 N4 O8 P4 -","4","2","","Bradley O. Ashburn; Rich G. Carter; Lev N. Zakharov","Synthesis of Tetra-ortho-substituted, Phosphorus-Containing and Carbonyl-Containing Biaryls Utilizing a Diels-Alder Approach","Journal of the American Chemical Society","2007","129","","9109","9116","10.1021/ja071163r","","","0.71073","MoKα","","0.0912","0.0652","","","0.1651","0.1775","","","","","","1.052","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109688","17.8051","0.0019","7.8616","0.0009","11.3272","0.0012","90","","100.09","0.002","90","","1561","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br N O5 -","- C16 H14 Br N O5 -","- C64 H56 Br4 N4 O20 -","4","1","","Bradley O. Ashburn; Rich G. Carter; Lev N. Zakharov","Synthesis of Tetra-ortho-substituted, Phosphorus-Containing and Carbonyl-Containing Biaryls Utilizing a Diels-Alder Approach","Journal of the American Chemical Society","2007","129","","9109","9116","10.1021/ja071163r","","","0.71073","MoKα","","0.0504","0.0409","","","0.0953","0.0983","","","","","","1.153","","","","has coordinates,has disorder","178842","2020-10-21","18:00:00",""
"4109689","10.5941","0.0013","10.6543","0.0013","11.8832","0.0015","96.817","0.002","116.02","0.002","104.097","0.002","1129.2","0.2","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H19 Br N2 O6 -","- C24 H19 Br N2 O6 -","- C48 H38 Br2 N4 O12 -","2","2","","Bradley O. Ashburn; Rich G. Carter; Lev N. Zakharov","Synthesis of Tetra-ortho-substituted, Phosphorus-Containing and Carbonyl-Containing Biaryls Utilizing a Diels-Alder Approach","Journal of the American Chemical Society","2007","129","","9109","9116","10.1021/ja071163r","","","0.71073","MoKα","","0.0415","0.0347","","","0.0767","0.0789","","","","","","0.981","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109690","9.788","0.002","9.0708","0.0018","14.037","0.003","90","","100.856","0.003","90","","1224","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Br N O2 -","- C14 H10 Br N O2 -","- C56 H40 Br4 N4 O8 -","4","1","","Bradley O. Ashburn; Rich G. Carter; Lev N. Zakharov","Synthesis of Tetra-ortho-substituted, Phosphorus-Containing and Carbonyl-Containing Biaryls Utilizing a Diels-Alder Approach","Journal of the American Chemical Society","2007","129","","9109","9116","10.1021/ja071163r","","","0.71073","MoKα","","0.0427","0.0386","","","0.1016","0.1039","","","","","","1.043","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109691","10.2444","0.0014","32.499","0.004","6.9136","0.0007","90","","90","","90","","2301.8","0.5","150","","150","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C21 H34 O4 S Si -","- C21 H34 O4 S Si -","- C84 H136 O16 S4 Si4 -","4","1","","Ahmad El-Awa; Xavier Mollat du Jourdin; Philip L. Fuchs","Asymmetric Synthesis of All Eight Seven-Carbon Dipropionate Stereotetrads","Journal of the American Chemical Society","2007","129","","9086","9093","10.1021/ja071217x","","","0.71073","MO-Kα","","0.119","0.063","","","0.125","0.151","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109692","6.7613","0.0008","11.2542","0.0017","15.2264","0.001","90","","93.112","0.006","90","","1156.9","0.2","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H34 O4 S Si -","- C21 H34 O4 S Si -","- C42 H68 O8 S2 Si2 -","2","1","","Ahmad El-Awa; Xavier Mollat du Jourdin; Philip L. Fuchs","Asymmetric Synthesis of All Eight Seven-Carbon Dipropionate Stereotetrads","Journal of the American Chemical Society","2007","129","","9086","9093","10.1021/ja071217x","","","0.71073","MO-Kα","","0.101","0.049","","","0.098","0.122","","","","","","0.971","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109693","6.6816","0.0005","7.5785","0.0007","25.49","0.002","87.798","0.005","86.717","0.006","64.962","0.005","1167.37","0.17","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C21 H34 O4 S Si -","- C21 H34 O4 S Si -","- C42 H68 O8 S2 Si2 -","2","2","","Ahmad El-Awa; Xavier Mollat du Jourdin; Philip L. Fuchs","Asymmetric Synthesis of All Eight Seven-Carbon Dipropionate Stereotetrads","Journal of the American Chemical Society","2007","129","","9086","9093","10.1021/ja071217x","","","0.71073","MO-Kα","","0.085","0.072","","","0.19","0.203","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109694","6.9589","0.0005","9.7764","0.0007","16.7107","0.0013","90","","90.564","0.003","90","","1136.82","0.15","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H34 O4 S Si -","- C21 H34 O4 S Si -","- C42 H68 O8 S2 Si2 -","2","1","","Ahmad El-Awa; Xavier Mollat du Jourdin; Philip L. Fuchs","Asymmetric Synthesis of All Eight Seven-Carbon Dipropionate Stereotetrads","Journal of the American Chemical Society","2007","129","","9086","9093","10.1021/ja071217x","","","0.71073","MO-Kα","","0.088","0.076","","","0.132","0.138","","","","","","1.233","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109695","12.3332","0.0007","6.8353","0.0005","15.6695","0.0011","90","","100.822","0.005","90","","1297.46","0.15","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H36 O5 S Si -","- C23 H36 O5 S Si -","- C46 H72 O10 S2 Si2 -","2","1","","Ahmad El-Awa; Xavier Mollat du Jourdin; Philip L. Fuchs","Asymmetric Synthesis of All Eight Seven-Carbon Dipropionate Stereotetrads","Journal of the American Chemical Society","2007","129","","9086","9093","10.1021/ja071217x","","","0.71073","MO-Kα","","0.058","0.04","","","0.087","0.096","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109696","11.3503","0.0009","15.1148","0.0012","18.0032","0.0014","87.766","0.002","72.397","0.002","87.527","0.002","2940.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H50 N10 O12 Zn2 -","- C68 H50 N10 O12 Zn2 -","- C136 H100 N20 O24 Zn4 -","2","1","","Gregory J. McManus; John J. Perry; Mark Perry; Brian D. Wagner; Michael J. Zaworotko","Exciplex Fluorescence as a Diagnostic Probe of Structure in Coordination Polymers of Zn2+and 4,4'-Bipyridine Containing Intercalated Pyrene and Enclathrated Aromatic Solvent Guests","Journal of the American Chemical Society","2007","129","","9094","9101","10.1021/ja071271d","","","0.71073","MoKα","","0.0628","0.0435","","","0.0956","0.1058","","","","","","1.029","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109697","11.3895","0.0011","15.1659","0.0014","17.8768","0.0016","88.365","0.002","73.96","0.002","87.75","0.002","2964.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H44 N10 O12 Zn2 -","- C68.99 H44 N10 O12 Zn2 -","- C137.98 H88 N20 O24 Zn4 -","2","1","","Gregory J. McManus; John J. Perry; Mark Perry; Brian D. Wagner; Michael J. Zaworotko","Exciplex Fluorescence as a Diagnostic Probe of Structure in Coordination Polymers of Zn2+and 4,4'-Bipyridine Containing Intercalated Pyrene and Enclathrated Aromatic Solvent Guests","Journal of the American Chemical Society","2007","129","","9094","9101","10.1021/ja071271d","","","0.71073","MoKα","","0.0975","0.0657","","","0.1732","0.1962","","","","","","0.906","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109698","11.3718","0.0009","15.1633","0.0012","17.9472","0.0015","88.393","0.002","73.215","0.001","87.949","0.002","2960.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H54 N10 O12 Zn2 -","- C70 H54 N10 O12 Zn2 -","- C140 H108 N20 O24 Zn4 -","2","1","","Gregory J. McManus; John J. Perry; Mark Perry; Brian D. Wagner; Michael J. Zaworotko","Exciplex Fluorescence as a Diagnostic Probe of Structure in Coordination Polymers of Zn2+and 4,4'-Bipyridine Containing Intercalated Pyrene and Enclathrated Aromatic Solvent Guests","Journal of the American Chemical Society","2007","129","","9094","9101","10.1021/ja071271d","","","0.71073","MoKα","","0.0574","0.0418","","","0.1034","0.1134","","","","","","0.975","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109699","11.3364","0.0012","15.1363","0.0016","18.0214","0.0019","87.884","0.002","72.04","0.002","88.328","0.002","2939.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H49 Cl N10 O12 Zn2 -","- C68 H49 Cl N10 O12 Zn2 -","- C136 H98 Cl2 N20 O24 Zn4 -","2","1","","Gregory J. McManus; John J. Perry; Mark Perry; Brian D. Wagner; Michael J. Zaworotko","Exciplex Fluorescence as a Diagnostic Probe of Structure in Coordination Polymers of Zn2+and 4,4'-Bipyridine Containing Intercalated Pyrene and Enclathrated Aromatic Solvent Guests","Journal of the American Chemical Society","2007","129","","9094","9101","10.1021/ja071271d","","","0.71073","MoKα","","0.0456","0.0386","","","0.0987","0.1033","","","","","","1.043","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109700","16.5243","0.0017","11.4671","0.0011","22.731","0.002","90","","99.12","0.002","90","","4252.8","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 Cl4 N6 O6 Zn -","- C48 H34 Cl4 N6 O6 Zn -","- C192 H136 Cl16 N24 O24 Zn4 -","4","0.5","","Gregory J. McManus; John J. Perry; Mark Perry; Brian D. Wagner; Michael J. Zaworotko","Exciplex Fluorescence as a Diagnostic Probe of Structure in Coordination Polymers of Zn2+and 4,4'-Bipyridine Containing Intercalated Pyrene and Enclathrated Aromatic Solvent Guests","Journal of the American Chemical Society","2007","129","","9094","9101","10.1021/ja071271d","","","0.71073","MoKα","","0.0374","0.0338","","","0.094","0.0969","","","","","","0.806","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109701","19.352","0.003","9.5462","0.0016","25.387","0.004","90","","90.593","0.002","90","","4689.7","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 N4 O5 -","- C24 H28 N4 O5 -","- C192 H224 N32 O40 -","8","1","","Benjamin C. Gorske; Brent L. Bastian; Grant D. Geske; Helen E. Blackwell","Local and Tunable n\ρightarrowπ* Interactions Regulate Amide Isomerism in the Peptoid Backbone","Journal of the American Chemical Society","2007","129","","8928","8929","10.1021/ja071310l","","","0.71073","Mo-Kα","","0.0543","0.0379","","","0.0994","0.1099","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109702","8.496","0.003","20.619","0.007","8.291","0.003","90","","102.946","0.005","90","","1415.5","0.9","296","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H22 F3 O P -","- C12 H22 F3 O P -","- C48 H88 F12 O4 P4 -","4","1","","Alex S. Ionkin; William J. Marshall; Brian M. Fish; Matthew F. Schiffhauer; Fredric Davidson","A Stabilized β-Oxaphosphoniumbetaine: An Elusive Zwitterion","Journal of the American Chemical Society","2007","129","","9210","9215","10.1021/ja071644a","","","0.71073","MoKα","","0.0586","0.052","","","0.1326","0.1413","","","","","","1.087","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109703","30.271","0.004","9.6309","0.0011","14.2728","0.0017","90","","106.203","0.003","90","","3995.8","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H55 F12 I O3 P2 -","- C30 H47 F12 I O3 P2 -","- C120 H188 F48 I4 O12 P8 -","4","0.5","","Alex S. Ionkin; William J. Marshall; Brian M. Fish; Matthew F. Schiffhauer; Fredric Davidson","A Stabilized β-Oxaphosphoniumbetaine: An Elusive Zwitterion","Journal of the American Chemical Society","2007","129","","9210","9215","10.1021/ja071644a","","","0.71069","MoKα","","0.0505","0.0401","","","0.1288","0.1349","","","","","","1.078","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109704","17.242","0.003","13.711","0.002","17.917","0.003","90","","117.952","0.002","90","","3741.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 F6 I O P -","- C13 H24 F6 I O P -","- C104 H192 F48 I8 O8 P8 -","8","2","","Alex S. Ionkin; William J. Marshall; Brian M. Fish; Matthew F. Schiffhauer; Fredric Davidson","A Stabilized β-Oxaphosphoniumbetaine: An Elusive Zwitterion","Journal of the American Chemical Society","2007","129","","9210","9215","10.1021/ja071644a","","","0.71073","MoKα","","0.052","0.0354","","","0.0746","0.0825","","","","","","1.041","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109705","31.237","0.009","50.033","0.014","9.128","0.003","90","","90","","90","","14266","7","293","2","293","2","","","","","","","","7","C c c 2","C 2 -2c","37","","","","- C11 H19 F6 I N O P -","- C11.635 H16 F6 I N0.5 O P -","- C372.32 H512 F192 I32 N16 O32 P32 -","32","4","","Alex S. Ionkin; William J. Marshall; Brian M. Fish; Matthew F. Schiffhauer; Fredric Davidson","A Stabilized β-Oxaphosphoniumbetaine: An Elusive Zwitterion","Journal of the American Chemical Society","2007","129","","9210","9215","10.1021/ja071644a","","","0.71073","MoKα","","0.0685","0.0418","","","0.1191","0.1395","","","","","","1.001","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109706","8.693","0.002","23.126","0.006","9.831","0.003","90","","114.995","0.005","90","","1791.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 F6 O2 P -","- C14 H27 F6 O2 P -","- C56 H108 F24 O8 P4 -","4","1","","Alex S. Ionkin; William J. Marshall; Brian M. Fish; Matthew F. Schiffhauer; Fredric Davidson","A Stabilized β-Oxaphosphoniumbetaine: An Elusive Zwitterion","Journal of the American Chemical Society","2007","129","","9210","9215","10.1021/ja071644a","","","0.71073","MoKα","","0.0663","0.0403","","","0.0945","0.1063","","","","","","1.035","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109707","5.553","0.003","17.278","0.01","19.305","0.012","81.686","0.007","82.767","0.007","80.819","0.007","1799.2","1.8","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H52 N2 -","- C46 H52 N2 -","- C92 H104 N4 -","2","1","","Pierre-Luc T. Boudreault; Salem Wakim; Nicolas Blouin; Michel Simard; Christian Tessier; Ye Tao; Mario Leclerc","Synthesis, Characterization, and Application of Indolo[3,2-b]carbazole Semiconductors","Journal of the American Chemical Society","2007","129","","9125","9136","10.1021/ja071923y","","","0.71073","MoKα","","0.2202","0.087","","","0.1876","0.2235","","","","","","0.872","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109708","15.2682","0.0009","5.2745","0.0003","17.6381","0.001","90","","96.92","0.001","90","","1410.09","0.14","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 N2 -","- C34 H44 N2 -","- C68 H88 N4 -","2","0.5","","Pierre-Luc T. Boudreault; Salem Wakim; Nicolas Blouin; Michel Simard; Christian Tessier; Ye Tao; Mario Leclerc","Synthesis, Characterization, and Application of Indolo[3,2-b]carbazole Semiconductors","Journal of the American Chemical Society","2007","129","","9125","9136","10.1021/ja071923y","","","0.71073","MoKα","","0.0441","0.0375","","","0.1172","0.1229","","","","","","1.634","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109709","20.2822","0.0016","20.4888","0.0016","22.2315","0.0018","63.813","0.001","87.3","0.001","62.565","0.001","7214.9","1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","5,11-bis(p-octylphenyl)indolocarbazole","","","- C46 H52 N2 -","- C46 H52 N2 -","- C368 H416 N16 -","8","4","","Pierre-Luc T. Boudreault; Salem Wakim; Nicolas Blouin; Michel Simard; Christian Tessier; Ye Tao; Mario Leclerc","Synthesis, Characterization, and Application of Indolo[3,2-b]carbazole Semiconductors","Journal of the American Chemical Society","2007","129","","9125","9136","10.1021/ja071923y","","","0.71073","MoKα","","0.2102","0.0657","","","0.1303","0.1901","","","","","","0.945","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109710","10.0608","0.0002","14.1458","0.0003","11.202","0.0002","90","","98.249","0.001","90","","1577.75","0.05","220","2","220","2","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 N2 -","- C42 H44 N2 -","- C84 H88 N4 -","2","0.5","","Pierre-Luc T. Boudreault; Salem Wakim; Nicolas Blouin; Michel Simard; Christian Tessier; Ye Tao; Mario Leclerc","Synthesis, Characterization, and Application of Indolo[3,2-b]carbazole Semiconductors","Journal of the American Chemical Society","2007","129","","9125","9136","10.1021/ja071923y","","","1.54178","CuKα","","0.0436","0.0428","","","0.1135","0.1143","","","","","","1.041","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109711","17.9131","0.001","9.5697","0.0006","18.8066","0.0011","90","","95.011","0.003","90","","3211.6","0.3","220","2","220","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 N2 S2 -","- C38 H40 N2 S2 -","- C152 H160 N8 S8 -","4","1","","Pierre-Luc T. Boudreault; Salem Wakim; Nicolas Blouin; Michel Simard; Christian Tessier; Ye Tao; Mario Leclerc","Synthesis, Characterization, and Application of Indolo[3,2-b]carbazole Semiconductors","Journal of the American Chemical Society","2007","129","","9125","9136","10.1021/ja071923y","","","1.54178","CuKα","","0.0687","0.0472","","","0.1261","0.1366","","","","","","0.998","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109712","10.3511","0.0002","17.6271","0.0003","21.9274","0.0004","108.129","0.002","103.637","0.001","90.219","0.001","3682.15","0.13","200","2","200","2","","","","","","","Synthesized by the authors. See text","3","P -1","-P 1","2","","","","- C46 H52 N2 -","- C46 H52 N2 -","- C184 H208 N8 -","4","2","","Pierre-Luc T. Boudreault; Salem Wakim; Nicolas Blouin; Michel Simard; Christian Tessier; Ye Tao; Mario Leclerc","Synthesis, Characterization, and Application of Indolo[3,2-b]carbazole Semiconductors","Journal of the American Chemical Society","2007","129","","9125","9136","10.1021/ja071923y","","","1.54178","CuKα","","0.0872","0.0736","","","0.2188","0.2284","","","","","","1.021","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109713","14.0429","0.0005","18.2532","0.0006","29.4389","0.0009","88.593","0.001","79.918","0.001","72.778","0.001","7093.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H47 F6 N O8 P -","- C32 H47 F6 N O8 P -","- C256 H376 F48 N8 O64 P8 -","8","4","","Erin N. Guidry; Jean Li; J. Fraser Stoddart; Robert H. Grubbs","Bifunctional [c2]Daisy-Chains and Their Incorporation into Mechanically Interlocked Polymers","Journal of the American Chemical Society","2007","129","","8944","8945","10.1021/ja0725100","","","0.71073","MoKα","","0.181","0.1327","","","0.3472","0.376","","","","","","2.495","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4109714","11.647","0.005","10.623","0.004","21.468","0.008","90","","99.2218","0.0015","90","","2621.8","1.8","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N O5 P Pd S -","- C28 H30 N O5 P Pd S -","- C112 H120 N4 O20 P4 Pd4 S4 -","4","1","","Takuya Kochi; Shusuke Noda; Kenji Yoshimura; Kyoko Nozaki","Formation of Linear Copolymers of Ethylene and Acrylonitrile Catalyzed by Phosphine Sulfonate Palladium Complexes","Journal of the American Chemical Society","2007","129","","8948","8949","10.1021/ja0725504","","","0.7107","MoKα","","0.045","0.038","","","0.0886","0.0933","","","","","","1.106","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109715","8.4588","0.0017","14.389","0.003","21.438","0.004","90","","90","","90","","2609.3","0.9","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H50 Li2 N4 -","- C22 H50 Li2 N4 -","- C88 H200 Li8 N16 -","4","1","","Carsten Strohmann; Viktoria H. Gessner","Crystal Structures of the Chiral Diamine (R,R)-TMCDA with the Commonly Used Alkyllithium Bases Methyllithium, iso-Propyllithium, and sec-Butyllithium","Journal of the American Chemical Society","2007","129","","8952","8953","10.1021/ja072970t","","","0.71073","MoKα","","0.1029","0.0567","","","0.1258","0.1428","","","","","","1.037","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109716","9.1739","0.0014","28.015","0.007","11.8908","0.0019","90","","104.154","0.018","90","","2963.2","1","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H58 Li2 N4 -","- C26 H58 Li2 N4 -","- C104 H232 Li8 N16 -","4","2","","Carsten Strohmann; Viktoria H. Gessner","Crystal Structures of the Chiral Diamine (R,R)-TMCDA with the Commonly Used Alkyllithium Bases Methyllithium, iso-Propyllithium, and sec-Butyllithium","Journal of the American Chemical Society","2007","129","","8952","8953","10.1021/ja072970t","","","0.71073","MoKα","","0.0891","0.0522","","","0.0996","0.1093","","","","","","1.053","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109717","7.9625","0.0014","13.777","0.003","14.599","0.003","90","","90","","90","","1601.5","0.6","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H31 Li N2 -","- C14 H31 Li N2 -","- C56 H124 Li4 N8 -","4","1","","Carsten Strohmann; Viktoria H. Gessner","Crystal Structures of the Chiral Diamine (R,R)-TMCDA with the Commonly Used Alkyllithium Bases Methyllithium, iso-Propyllithium, and sec-Butyllithium","Journal of the American Chemical Society","2007","129","","8952","8953","10.1021/ja072970t","","","0.71073","MoKα","","0.0958","0.0514","","","0.0917","0.101","","","","","","1.072","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109718","30.55","0.02","11.514","0.008","10.562","0.007","90","","97.58","0.013","90","","3683","4","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C25 H57 B11 Na O8 -","- C25 H51 B11 Na O8 -","- C100 H204 B44 Na4 O32 -","4","0.5","","Xiaodu Fu; Hoi-Shan Chan; Zuowei Xie","Synthesis and Crystal Structure of a 13-Vertex Carborane Radical Anion with 2n+ 3 Framework Electrons","Journal of the American Chemical Society","2007","129","","8964","8965","10.1021/ja073390z","","","0.71073","MoKα","","0.1213","0.0881","","","0.2227","0.248","","","","","","1.093","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109719","3.3935","0.001","4.3687","0.001","11.9851","0.001","90","","90","","90","","177.68","0.07","293","2","293","2","","","","","","","see text","3","I m m m","-I 2 2","71","","","","- C4 Co Sc3 -","- C4 Co Sc3 -","- C8 Co2 Sc6 -","2","0.125","","Benjamin Rohrmoser; Georg Eickerling; Manuel Presnitz; Wolfgang Scherer; Volker Eyert; Rolf-Dieter Hoffmann; Ute Ch. Rodewald; Christian Vogt; Rainer Pöttgen","Experimental Electron Density of the Complex Carbides Sc3[Fe(C2)2] and Sc3[Co(C2)2]","Journal of the American Chemical Society","2007","129","","9356","9365","10.1021/ja068137y","","","0.71073","MoKa","","0.0214","0.0122","","","","0.0081","","","","","","1.1971","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109720","3.3689","0.001","4.3818","0.001","12.0959","0.001","90","","90","","90","","178.56","0.07","293","2","293","2","","","","","","","see text","3","I m m m","-I 2 2","71","","","","- C4 Fe Sc3 -","- C4 Fe Sc3 -","- C8 Fe2 Sc6 -","2","0.125","","Benjamin Rohrmoser; Georg Eickerling; Manuel Presnitz; Wolfgang Scherer; Volker Eyert; Rolf-Dieter Hoffmann; Ute Ch. Rodewald; Christian Vogt; Rainer Pöttgen","Experimental Electron Density of the Complex Carbides Sc3[Fe(C2)2] and Sc3[Co(C2)2]","Journal of the American Chemical Society","2007","129","","9356","9365","10.1021/ja068137y","","","0.71073","MoKa","","0.0299","0.0155","","","","0.0133","","","","","","1.1083","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109721","38.937","0.003","48","0.004","9.5196","0.0007","90","","90","","90","","17792","2","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C94 H98 Mn N10 O28 Rh2 -","- C94 H98 Mn N10 O28 Rh2 -","- C752 H784 Mn8 N80 O224 Rh16 -","8","0.5","","Elena Cariati; Roberto Macchi; Dominique Roberto; Renato Ugo; Simona Galli; Nicola Casati; Piero Macchi; Angelo Sironi; Lapo Bogani; Andrea Caneschi; Dante Gatteschi","Polyfunctional Inorganic-Organic Hybrid Materials: An Unusual Kind of NLO Active Layered Mixed Metal Oxalates with Tunable Magnetic Properties and Very Large Second Harmonic Generation","Journal of the American Chemical Society","2007","129","","9410","9420","10.1021/ja0710712","","","0.71069","MoKα","","0.0703","0.0468","","","0.1106","0.1274","","","","","","1.067","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109722","39.406","0.003","48.573","0.004","9.4673","0.0008","90","","90","","90","","18121","3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C94 H98 Fe2 Mn N10 O28 -","- C94 H98 Fe2 Mn N10 O28 -","- C752 H784 Fe16 Mn8 N80 O224 -","8","0.5","","Elena Cariati; Roberto Macchi; Dominique Roberto; Renato Ugo; Simona Galli; Nicola Casati; Piero Macchi; Angelo Sironi; Lapo Bogani; Andrea Caneschi; Dante Gatteschi","Polyfunctional Inorganic-Organic Hybrid Materials: An Unusual Kind of NLO Active Layered Mixed Metal Oxalates with Tunable Magnetic Properties and Very Large Second Harmonic Generation","Journal of the American Chemical Society","2007","129","","9410","9420","10.1021/ja0710712","","","0.71073","MoKα","","0.0849","0.0507","","","0.1212","0.1441","","","","","","1.046","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109723","39.299","0.002","48.612","0.003","9.4962","0.0006","90","","90","","90","","18141.6","1.8","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C94 H98 Cr2 Mn N10 O28 -","- C94 H98 Cr2 Mn N10 O28 -","- C752 H784 Cr16 Mn8 N80 O224 -","8","0.5","","Elena Cariati; Roberto Macchi; Dominique Roberto; Renato Ugo; Simona Galli; Nicola Casati; Piero Macchi; Angelo Sironi; Lapo Bogani; Andrea Caneschi; Dante Gatteschi","Polyfunctional Inorganic-Organic Hybrid Materials: An Unusual Kind of NLO Active Layered Mixed Metal Oxalates with Tunable Magnetic Properties and Very Large Second Harmonic Generation","Journal of the American Chemical Society","2007","129","","9410","9420","10.1021/ja0710712","","","0.71073","MoKα","","0.2281","0.0864","","","0.2069","0.2838","","","","","","0.969","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109724","14.418","0.0006","15.4727","0.0006","20.7604","0.0008","101.139","0.001","96.411","0.001","100.493","0.001","4416","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H53.5 I2 N10 O18 Rh -","- C86 H94.8 I2 N10 O18 Rh -","- C172 H189.6 I4 N20 O36 Rh2 -","2","1","","Elena Cariati; Roberto Macchi; Dominique Roberto; Renato Ugo; Simona Galli; Nicola Casati; Piero Macchi; Angelo Sironi; Lapo Bogani; Andrea Caneschi; Dante Gatteschi","Polyfunctional Inorganic-Organic Hybrid Materials: An Unusual Kind of NLO Active Layered Mixed Metal Oxalates with Tunable Magnetic Properties and Very Large Second Harmonic Generation","Journal of the American Chemical Society","2007","129","","9410","9420","10.1021/ja0710712","","","0.71073","MoKα","","0.0544","0.041","","","0.1188","0.1356","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109725","15.8893","0.001","17.5285","0.0011","27.2474","0.0017","86.985","0.001","78.083","0.001","72.737","0.001","7090.5","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C111 H157.6 Gd2 Mn11 N15 O58.4 -","- C87 H121.6 Gd2 Mn11 N3 O58.4 -","- C174 H243.2 Gd4 Mn22 N6 O116.8 -","2","1","","Valeriu M. Mereacre; Ayuk M. Ako; Rodolphe Clérac; Wolfgang Wernsdorfer; George Filoti; Juan Bartolomé; Christopher E. Anson; Annie K. Powell","A Bell-Shaped Mn11Gd2 Single-Molecule Magnet","Journal of the American Chemical Society","2007","129","","9248","9249","10.1021/ja071073m","","","0.71073","MoKα","","0.0719","0.0409","","","0.0857","0.0907","","","","","","0.992","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109726","10.4849","0.0018","11.872","0.002","18.977","0.004","89.715","0.014","80.764","0.012","67.58","0.016","2151.2","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H48 Ni P4 -","- C52 H48 Ni P4 -","- C104 H96 Ni2 P8 -","2","1","","Nathan A. Eckert; William G. Dougherty; Glenn P. A. Yap; Charles G. Riordan","Methyl Transfer from Methylcobaloxime to (Triphos)Ni(PPh3): Relevance to the Mechanism of Acetyl Coenzyme A Synthase","Journal of the American Chemical Society","2007","129","","9286","9287","10.1021/ja072063o","","","0.71073","MoKα","","0.0849","0.0565","","","0.1178","0.1337","","","","","","1.024","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109727","17.25","0.004","9.099","0.003","38.847","0.008","90","","97.928","0.017","90","","6039","3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H33 Ni O P3 -","- C35 H33 Ni O P3 -","- C280 H264 Ni8 O8 P24 -","8","1","","Nathan A. Eckert; William G. Dougherty; Glenn P. A. Yap; Charles G. Riordan","Methyl Transfer from Methylcobaloxime to (Triphos)Ni(PPh3): Relevance to the Mechanism of Acetyl Coenzyme A Synthase","Journal of the American Chemical Society","2007","129","","9286","9287","10.1021/ja072063o","","","0.71073","MoKα","","0.0857","0.0522","","","0.0989","0.1121","","","","","","1.014","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109728","12.34","0.005","12.599","0.005","13.255","0.005","112.424","0.004","102.063","0.005","104.137","0.005","1739.2","1.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 F3 Ni O3 P3 S -","- C36 H36 F3 Ni O3 P3 S -","- C72 H72 F6 Ni2 O6 P6 S2 -","2","1","","Nathan A. Eckert; William G. Dougherty; Glenn P. A. Yap; Charles G. Riordan","Methyl Transfer from Methylcobaloxime to (Triphos)Ni(PPh3): Relevance to the Mechanism of Acetyl Coenzyme A Synthase","Journal of the American Chemical Society","2007","129","","9286","9287","10.1021/ja072063o","","","0.71073","MoKα","","0.1687","0.0781","","","0.138","0.183","","","","","","1.029","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109729","12.986","0.005","14.978","0.006","23.15","0.01","90","","93.82","0.02","90","","4493","3","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Cl Mn3 N6 O14 -","- C27 H30 Cl Mn3 N6 O14 -","- C108 H120 Cl4 Mn12 N24 O56 -","4","1","","Theocharis C. Stamatatos; Dolos Foguet-Albiol; Sheng-Chiang Lee; Constantinos C. Stoumpos; Catherine P. Raptopoulou; Aris Terzis; Wolfgang Wernsdorfer; Stephen O. Hill; Spyros P. Perlepes; George Christou","""Switching On"" the Properties of Single-Molecule Magnetism in Triangular Manganese(III) Complexes","Journal of the American Chemical Society","2007","129","","9484","9499","10.1021/ja072194p","","","0.71073","MoKα","","0.0701","0.0556","","","0.1515","0.1606","","","","","","1.052","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109730","12.988","0.005","15.111","0.006","23.74","0.01","90","","94.82","0.01","90","","4643","3","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Cl Mn3 N6 O14 -","- C30 H36 Cl Mn3 N6 O14 -","- C120 H144 Cl4 Mn12 N24 O56 -","4","1","","Theocharis C. Stamatatos; Dolos Foguet-Albiol; Sheng-Chiang Lee; Constantinos C. Stoumpos; Catherine P. Raptopoulou; Aris Terzis; Wolfgang Wernsdorfer; Stephen O. Hill; Spyros P. Perlepes; George Christou","""Switching On"" the Properties of Single-Molecule Magnetism in Triangular Manganese(III) Complexes","Journal of the American Chemical Society","2007","129","","9484","9499","10.1021/ja072194p","","","0.71073","MoKα","","0.0769","0.0606","","","0.1654","0.1765","","","","","","1.065","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109731","19.7","0.009","10.746","0.005","28.614","0.014","90","","107.53","0.02","90","","5776","5","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 Cl Mn3 N6 O14 -","- C42 H36 Cl Mn3 N6 O14 -","- C168 H144 Cl4 Mn12 N24 O56 -","4","1","","Theocharis C. Stamatatos; Dolos Foguet-Albiol; Sheng-Chiang Lee; Constantinos C. Stoumpos; Catherine P. Raptopoulou; Aris Terzis; Wolfgang Wernsdorfer; Stephen O. Hill; Spyros P. Perlepes; George Christou","""Switching On"" the Properties of Single-Molecule Magnetism in Triangular Manganese(III) Complexes","Journal of the American Chemical Society","2007","129","","9484","9499","10.1021/ja072194p","","","1.5418","CuKα","","0.0722","0.0563","","","0.147","0.1559","","","","","","1.007","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109732","18.869","0.002","18.869","0.002","23.021","0.004","90","","90","","90","","8196.4","1.9","223","2","223","2","","","","","","","","5","I 41/a :2","-I 4ad","88","Ta-dimer","","","- C36 H64 Cl2 N6 Ta2 -","- C36 H64 Cl2 N6 Ta2 -","- C288 H512 Cl16 N48 Ta16 -","8","0.5","","Masakazu Hirotsu; Philip P. Fontaine; Albert Epshteyn; Lawrence R. Sita","Dinitrogen Activation at Ambient Temperatures: New Modes of H2 and PhSiH3 Additions for an ""End-On-Bridged"" [Ta(IV)]2(μ-η1:η1-N2) Complex and for the Bis(μ-nitrido) [Ta(V)(μ-N)]2 Product Derived from Facile N\τbN Bond Cleavage","Journal of the American Chemical Society","2007","129","","9284","9285","10.1021/ja072248v","","","0.71073","MoKα","","0.0563","0.031","","","0.0638","0.0893","","","","","","1","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109733","9.5286","0.0009","10.4229","0.001","11.4967","0.0011","106.169","0.002","99.013","0.002","112.78","0.001","964.95","0.16","220","2","220","2","","","","","","","","4","P -1","-P 1","2","Ta-N=N-Ta","","","- C36 H64 N6 Ta2 -","- C36 H64 N6 Ta2 -","- C36 H64 N6 Ta2 -","1","0.5","","Masakazu Hirotsu; Philip P. Fontaine; Albert Epshteyn; Lawrence R. Sita","Dinitrogen Activation at Ambient Temperatures: New Modes of H2 and PhSiH3 Additions for an ""End-On-Bridged"" [Ta(IV)]2(μ-η1:η1-N2) Complex and for the Bis(μ-nitrido) [Ta(V)(μ-N)]2 Product Derived from Facile N\τbN Bond Cleavage","Journal of the American Chemical Society","2007","129","","9284","9285","10.1021/ja072248v","","","0.71073","MoKα","","0.0207","0.0176","","","0.0418","0.0432","","","","","","1","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109734","11.8563","0.0008","18.9391","0.0012","18.9815","0.0012","112.382","0.001","90.926","0.001","102.882","0.001","3817.7","0.4","220","2","220","2","","","","","","","","4","P -1","-P 1","2","Dizirconium-dinitrogen yellow complex","Dizirconium-dinitrogen yellow complex","","- C36 H64 N6 Ta2 -","- C36 H64 N6 Ta2 -","- C144 H256 N24 Ta8 -","4","2","","Masakazu Hirotsu; Philip P. Fontaine; Albert Epshteyn; Lawrence R. Sita","Dinitrogen Activation at Ambient Temperatures: New Modes of H2 and PhSiH3 Additions for an ""End-On-Bridged"" [Ta(IV)]2(μ-η1:η1-N2) Complex and for the Bis(μ-nitrido) [Ta(V)(μ-N)]2 Product Derived from Facile N\τbN Bond Cleavage","Journal of the American Chemical Society","2007","129","","9284","9285","10.1021/ja072248v","","","0.71073","MoKα","","0.0394","0.0283","","","0.0674","0.0719","","","","","","1","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109735","9.7044","0.001","15.7168","0.0016","12.2488","0.0013","90","","92.7557","0.0015","90","","1866.1","0.3","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","trans-ditantalum-dinitrogen complex","","","- C36 H64 N6 Ta2 -","- C36 H64 N6 Ta2 -","- C72 H128 N12 Ta4 -","2","0.5","","Masakazu Hirotsu; Philip P. Fontaine; Albert Epshteyn; Lawrence R. Sita","Dinitrogen Activation at Ambient Temperatures: New Modes of H2 and PhSiH3 Additions for an ""End-On-Bridged"" [Ta(IV)]2(μ-η1:η1-N2) Complex and for the Bis(μ-nitrido) [Ta(V)(μ-N)]2 Product Derived from Facile N\τbN Bond Cleavage","Journal of the American Chemical Society","2007","129","","9284","9285","10.1021/ja072248v","","","0.71073","MoKα","","0.0408","0.0308","","","0.0635","0.0656","","","","","","1","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109736","10.7416","0.0005","12.3472","0.0006","19.2441","0.0009","81.137","0.001","81.316","0.001","73.391","0.001","2401.2","0.2","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H156 N12 Si2 Ta4 -","- C89 H156 N12 Si2 Ta4 -","- C89 H156 N12 Si2 Ta4 -","1","0.5","","Masakazu Hirotsu; Philip P. Fontaine; Albert Epshteyn; Lawrence R. Sita","Dinitrogen Activation at Ambient Temperatures: New Modes of H2 and PhSiH3 Additions for an ""End-On-Bridged"" [Ta(IV)]2(μ-η1:η1-N2) Complex and for the Bis(μ-nitrido) [Ta(V)(μ-N)]2 Product Derived from Facile N\τbN Bond Cleavage","Journal of the American Chemical Society","2007","129","","9284","9285","10.1021/ja072248v","","","0.71073","MoKα","","0.0394","0.0278","","","0.0577","0.0623","","","","","","1","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109737","14.506","0.003","14.123","0.002","20.514","0.004","90","","107.176","0.003","90","","4015.2","1.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Tantalum nitrogen hydrogen complex","","","- C36 H66 N6 Ta2 -","- C36 H66 N6 Ta2 -","- C144 H264 N24 Ta8 -","4","0.5","","Masakazu Hirotsu; Philip P. Fontaine; Albert Epshteyn; Lawrence R. Sita","Dinitrogen Activation at Ambient Temperatures: New Modes of H2 and PhSiH3 Additions for an ""End-On-Bridged"" [Ta(IV)]2(μ-η1:η1-N2) Complex and for the Bis(μ-nitrido) [Ta(V)(μ-N)]2 Product Derived from Facile N\τbN Bond Cleavage","Journal of the American Chemical Society","2007","129","","9284","9285","10.1021/ja072248v","","","0.71073","MoKα","","0.0359","0.0221","","","0.0454","0.0495","","","","","","1","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109738","10.6823","0.0008","10.9599","0.0008","20.1009","0.0015","97.2","0.001","99.515","0.001","95.836","0.001","2284.6","0.3","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","Ditantalum mu-nitrogen hydrogen complex","","- C42 H72 N6 Si Ta2 -","- C42 H72 N6 Si Ta2 -","- C84 H144 N12 Si2 Ta4 -","2","1","","Masakazu Hirotsu; Philip P. Fontaine; Albert Epshteyn; Lawrence R. Sita","Dinitrogen Activation at Ambient Temperatures: New Modes of H2 and PhSiH3 Additions for an ""End-On-Bridged"" [Ta(IV)]2(μ-η1:η1-N2) Complex and for the Bis(μ-nitrido) [Ta(V)(μ-N)]2 Product Derived from Facile N\τbN Bond Cleavage","Journal of the American Chemical Society","2007","129","","9284","9285","10.1021/ja072248v","","","0.71073","MoKα","","0.0458","0.0264","","","0.0546","0.0599","","","","","","1.001","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109739","9.2069","0.0003","13.3959","0.0004","13.5754","0.0003","110.073","0.002","90.698","0.002","96.944","0.002","1558.49","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H46 Ga Mo N Si3 -","- C29 H46 Ga Mo N Si3 -","- C58 H92 Ga2 Mo2 N2 Si6 -","2","1","","Clinton L. Lund; Jörg A. Schachner; J. Wilson Quail; Jens Müller","[1]Molybdarenophanes: Strained Metallarenophanes with Aluminum, Gallium, and Silicon in Bridging Positions","Journal of the American Chemical Society","2007","129","","9313","9320","10.1021/ja072747w","","","0.71073","MoKα","","0.0655","0.0441","","","0.0986","0.1107","","","","","","1.041","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109740","9.005","0.0004","9.793","0.0005","17.0803","0.0008","98.873","0.003","97.435","0.002","96.174","0.003","1463.15","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H88 Al2 Mo2 N2 Si6 -","- C53 H88 Al2 Mo2 N2 Si6 -","- C53 H88 Al2 Mo2 N2 Si6 -","1","0.5","","Clinton L. Lund; Jörg A. Schachner; J. Wilson Quail; Jens Müller","[1]Molybdarenophanes: Strained Metallarenophanes with Aluminum, Gallium, and Silicon in Bridging Positions","Journal of the American Chemical Society","2007","129","","9313","9320","10.1021/ja072747w","","","0.71073","MoKα","","0.0935","0.054","","","0.122","0.1459","","","","","","1.072","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109741","9.2936","0.0005","9.7991","0.0005","17.2637","0.001","90.071","0.004","102.786","0.003","92.141","0.004","1532.06","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H46 Ga Mo N Si3 -","- C29 H46 Ga Mo N Si3 -","- C58 H92 Ga2 Mo2 N2 Si6 -","2","1","","Clinton L. Lund; Jörg A. Schachner; J. Wilson Quail; Jens Müller","[1]Molybdarenophanes: Strained Metallarenophanes with Aluminum, Gallium, and Silicon in Bridging Positions","Journal of the American Chemical Society","2007","129","","9313","9320","10.1021/ja072747w","","","0.71073","MoKα","","0.1053","0.069","","","0.1584","0.1785","","","","","","1.065","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109742","7.879","0.0005","18.5687","0.0013","14.5051","0.0009","90","","120.59","0.004","90","","1826.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Mo Si -","- C24 H20 Mo Si -","- C96 H80 Mo4 Si4 -","4","1","","Clinton L. Lund; Jörg A. Schachner; J. Wilson Quail; Jens Müller","[1]Molybdarenophanes: Strained Metallarenophanes with Aluminum, Gallium, and Silicon in Bridging Positions","Journal of the American Chemical Society","2007","129","","9313","9320","10.1021/ja072747w","","","0.71073","MoKα","","0.1169","0.0633","","","0.1002","0.1167","","","","","","1.056","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109743","9.702","0.002","12.89","0.003","18.27","0.004","90","","92.647","0.003","90","","2282.4","0.9","110","2","110","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl Mn N4 O7 -","- C22 H16 Cl Mn N4 O7 -","- C88 H64 Cl4 Mn4 N16 O28 -","4","1","","Javier Ruiz; Bernabé F. Perandones","Base-Promoted Tautomerization of Imidazole Ligands to N-Heterocyclic Carbenes and Subsequent Transmetalation Reaction","Journal of the American Chemical Society","2007","129","","9298","9299","10.1021/ja073144n","","x-ray","0.7107","MoKα","","0.041","0.0315","","","0.0791","0.0835","","","","","","1.085","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109744","12.875","0.003","9.1942","0.0019","21.33","0.004","90","","103.882","0.003","90","","2451.2","0.9","110","2","110","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H34 Cl2 F12 Mn2 N8 O6 P2 -","- C45 H34 Cl2 F12 Mn2 N8 O6 P2 -","- C90 H68 Cl4 F24 Mn4 N16 O12 P4 -","2","0.5","","Javier Ruiz; Bernabé F. Perandones","Base-Promoted Tautomerization of Imidazole Ligands to N-Heterocyclic Carbenes and Subsequent Transmetalation Reaction","Journal of the American Chemical Society","2007","129","","9298","9299","10.1021/ja073144n","","x-ray","0.7107","MoKα","","0.0639","0.0383","","","0.0838","0.0933","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109745","10.9629","0.0002","11.2933","0.0002","18.6298","0.0004","95.881","0.001","103.728","0.001","112.324","0.001","2024.52","0.07","100","2","100","2","","","","","","","synthesis as described","9","P -1","-P 1","2","","","","- C41 H32 Au Cl2 F6 Mn N4 O3 P2 -","- C41 H32 Au Cl2 F6 Mn N4 O3 P2 -","- C82 H64 Au2 Cl4 F12 Mn2 N8 O6 P4 -","2","1","","Javier Ruiz; Bernabé F. Perandones","Base-Promoted Tautomerization of Imidazole Ligands to N-Heterocyclic Carbenes and Subsequent Transmetalation Reaction","Journal of the American Chemical Society","2007","129","","9298","9299","10.1021/ja073144n","","x-ray","0.7107","MoKα","","0.0377","0.0327","","","0.075","0.0769","","","","","","1.058","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109746","24.3978","0.0015","24.3978","0.0015","7.1468","0.0009","90","","90","","120","","3684.2","0.6","298","2","298","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Eu Na2 Se4 Si -","- Eu Na2 Se4 Si -","- Eu18 Na36 Se72 Si18 -","18","1","","Amitava Choudhury; Peter K. Dorhout","An Ordered Assembly of Filled Nanoscale Tubules of Europium Seleno-silicate in the Crystal Structure of a Quaternary Compound","Journal of the American Chemical Society","2007","129","","9270","9271","10.1021/ja073335q","","","0.71073","MoKα","","0.0375","0.029","","","0.0469","0.0487","","","","","","1.006","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109747","14.913","0.003","15.93","0.003","16.27","0.003","115.71","0.03","98.62","0.03","100.53","0.03","3307.3","1.7","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H168 K4 N14 O24 Pd2 Sn18 -","- C78 H168 K4 N14 O24 Pd2 Sn18 -","- C78 H168 K4 N14 O24 Pd2 Sn18 -","1","0.5","","Zhong-Ming Sun; Hai Xiao; Jun Li; Lai-Sheng Wang","Pd2@Sn184-: Fusion of Two Endohedral Stannaspherenes","Journal of the American Chemical Society","2007","129","","9560","9561","10.1021/ja0728674","","","1.54178","CuKα","","0.069","0.0499","","","0.1204","0.1322","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109748","13.305","0.006","13.785","0.006","19.459","0.008","90","","90","","90","","3569","3","103.15","","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H52 B Br Mg N2 O2 -","- C34 H52 B Br Mg N2 O2 -","- C136 H208 B4 Br4 Mg4 N8 O8 -","4","1","","Makoto Yamashita; Yuta Suzuki; Yasutomo Segawa; Kyoko Nozaki","Synthesis, Structure of Borylmagnesium, and Its Reaction with Benzaldehyde to Form Benzoylborane","Journal of the American Chemical Society","2007","129","","9570","9571","10.1021/ja073037t","","","0.7107","MoKα","","0.0892","0.0741","","","0.1301","0.1365","","","","","","1.142","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109749","26.5116","0.0015","10.9036","0.0009","28.9821","0.0017","90","","90","","90","","8377.9","1","103.15","","103","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C38 H60 B Br2 Li Mg N2 O3 -","- C38 H60 B Br2 Li Mg N2 O3 -","- C304 H480 B8 Br16 Li8 Mg8 N16 O24 -","8","2","","Makoto Yamashita; Yuta Suzuki; Yasutomo Segawa; Kyoko Nozaki","Synthesis, Structure of Borylmagnesium, and Its Reaction with Benzaldehyde to Form Benzoylborane","Journal of the American Chemical Society","2007","129","","9570","9571","10.1021/ja073037t","","","0.7107","MoKα","","0.0566","0.0509","","","0.0928","0.0948","","","","","","1.143","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109750","25.376","0.002","41.133","0.005","10.9179","0.0011","90","","90","","90","","11396","2","103","2","103","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C60 H88 B2 Mg N4 O2 -","- C60 H88 B2 Mg N4 O2 -","- C480 H704 B16 Mg8 N32 O16 -","8","0.5","","Makoto Yamashita; Yuta Suzuki; Yasutomo Segawa; Kyoko Nozaki","Synthesis, Structure of Borylmagnesium, and Its Reaction with Benzaldehyde to Form Benzoylborane","Journal of the American Chemical Society","2007","129","","9570","9571","10.1021/ja073037t","","","0.7107","MoKα","","0.0702","0.0695","","","0.1795","0.1799","","","","","","1.156","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109751","12.66","0.006","15.48","0.008","14.755","0.007","90","0.002","90.479","0.002","90","0.002","2892","2","103.15","","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H41 B N2 O -","- C33 H41 B N2 O -","- C132 H164 B4 N8 O4 -","4","1","","Makoto Yamashita; Yuta Suzuki; Yasutomo Segawa; Kyoko Nozaki","Synthesis, Structure of Borylmagnesium, and Its Reaction with Benzaldehyde to Form Benzoylborane","Journal of the American Chemical Society","2007","129","","9570","9571","10.1021/ja073037t","","","0.7107","MoKα","","0.0782","0.0572","","","0.1295","0.1415","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109752","6.446","0.002","9.071","0.003","29.058","0.009","90","","90","","90","","1699.1","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Br O2 -","- C20 H19 Br O2 -","- C80 H76 Br4 O8 -","4","1","","Joshua N. Payette; Hisashi Yamamoto","Regioselective and Asymmetric Diels-Alder Reaction of 1- and 2-Substituted Cyclopentadienes Catalyzed by a Brønsted Acid Activated Chiral Oxazaborolidine","Journal of the American Chemical Society","2007","129","","9536","9537","10.1021/ja0735958","","","0.71073","MoKα","","0.0641","0.0444","","","0.0779","0.084","","","","","","0.921","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109753","6.5293","0.0016","8.022","0.002","27.132","0.007","90","","90","","90","","1421.1","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C64 H68 Br4 O12 -","4","1","","Joshua N. Payette; Hisashi Yamamoto","Regioselective and Asymmetric Diels-Alder Reaction of 1- and 2-Substituted Cyclopentadienes Catalyzed by a Brønsted Acid Activated Chiral Oxazaborolidine","Journal of the American Chemical Society","2007","129","","9536","9537","10.1021/ja0735958","","","0.71073","MoKα","","0.0439","0.0319","","","0.0574","0.0592","","","","","","0.886","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109754","9.6596","0.0016","21.302","0.004","26.248","0.004","90","","90","","90","","5401","1.6","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H37 N O2 Si -","- C31 H37 N O2 Si -","- C248 H296 N8 O16 Si8 -","8","1","","David A. Evans; Yimon Aye","Aluminum-Catalyzed Enantio- and Diastereoselective Carbonyl Addition of Propargylsilanes. A New Approach to Enantioenriched Vinyl Epoxides","Journal of the American Chemical Society","2007","129","","9606","9607","10.1021/ja0740420","","","0.71073","MoKα","","0.101","0.0699","","","0.1525","0.1689","","","","","","1.074","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109755","14.094","0.002","18.133","0.003","10.0075","0.0014","90","","108.656","0.003","90","","2423.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 N O2 Si -","- C25 H33 N O2 Si -","- C100 H132 N4 O8 Si4 -","4","1","","David A. Evans; Yimon Aye","Aluminum-Catalyzed Enantio- and Diastereoselective Carbonyl Addition of Propargylsilanes. A New Approach to Enantioenriched Vinyl Epoxides","Journal of the American Chemical Society","2007","129","","9606","9607","10.1021/ja0740420","","","0.71073","MoKα","","0.2004","0.0468","","","0.0553","0.0775","","","","","","0.664","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109756","9.5087","0.0017","21.076","0.004","26.118","0.005","90","","90","","90","","5234.2","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H35 N O2 Si -","- C30 H35 N O2 Si -","- C240 H280 N8 O16 Si8 -","8","1","","David A. Evans; Yimon Aye","Aluminum-Catalyzed Enantio- and Diastereoselective Carbonyl Addition of Propargylsilanes. A New Approach to Enantioenriched Vinyl Epoxides","Journal of the American Chemical Society","2007","129","","9606","9607","10.1021/ja0740420","","","0.71073","MoKα","","0.1235","0.0781","","","0.176","0.2004","","","","","","1.053","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109757","10.697","0.004","11.566","0.004","17.418","0.007","81.656","0.006","84.628","0.007","63.194","0.006","1902.1","1.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C64 H80 Co2 F24 N4 O14 -","- C64 H80 Co2 F24 N4 O14 -","- C64 H80 Co2 F24 N4 O14 -","1","1","","Youhei Numata; Katsuya Inoue; Nikolai Baranov; Mohamedally Kurmoo; Koichi Kikuchi","Field-Induced Ferrimagnetic State in a Molecule-Based Magnet Consisting of a CoIII on and a Chiral Triplet Bis(nitroxide) Radical","Journal of the American Chemical Society","2007","129","","9902","9909","10.1021/ja064828i","","","0.71073","MoKα","","0.0804","0.0709","","","0.1881","0.1949","","","","","","0.992","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109758","9.748","0.002","12.943","0.002","20.949","0.003","105.117","0.002","94.607","0.003","94.565","0.003","2529.5","0.7","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 F7 N O2 -","- C27 H26 F7 N O2 -","- C108 H104 F28 N4 O8 -","4","2","","Hendrich A. Chiong; Quynh-Nhu Pham; Olafs Daugulis","Two Methods for Direct ortho-Arylation of Benzoic Acids","Journal of the American Chemical Society","2007","129","","9879","9884","10.1021/ja071845e","","","0.71073","MoKα","","0.1606","0.0591","","","0.1471","0.1978","","","","","","0.912","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109759","23.181","0.002","13.0498","0.0013","4.795","0.0005","90","","90","","90","","1450.5","0.2","120","2","120","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Cd4.49 Sb9 Sr9 -","- Cd4.492 Sb9 Sr9 -","- Cd8.984 Sb18 Sr18 -","2","0.25","","Sheng-qing Xia; Svilen Bobev","Interplay between Size and Electronic Effects in Determining the Homogeneity Range of the A9Zn4+xPn9 and A9Cd4+xPn9 Phases (0 <=x<= 0.5), A = Ca, Sr, Yb, Eu; Pn = Sb, Bi","Journal of the American Chemical Society","2007","129","","10011","10018","10.1021/ja0728425","","","0.71073","MoKα","","0.0299","0.0263","","","0.0516","0.0526","","","","","","1.148","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109760","22.499","0.003","12.7079","0.0019","4.7229","0.0007","90","","90","","90","","1350.3","0.3","120","2","120","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Bi9 Ca9 Cd4.06 -","- Bi9 Ca9 Cd4.058 -","- Bi18 Ca18 Cd8.116 -","2","0.25","","Sheng-qing Xia; Svilen Bobev","Interplay between Size and Electronic Effects in Determining the Homogeneity Range of the A9Zn4+xPn9 and A9Cd4+xPn9 Phases (0 <=x<= 0.5), A = Ca, Sr, Yb, Eu; Pn = Sb, Bi","Journal of the American Chemical Society","2007","129","","10011","10018","10.1021/ja0728425","","","0.71073","MoKα","","0.0291","0.0279","","","0.0618","0.0623","","","","","","1.185","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109761","22.426","0.003","12.629","0.0018","4.72","0.0007","90","","90","","90","","1336.8","0.3","120","2","120","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Bi9 Cd4 Yb9 -","- Bi9 Cd4.012 Yb9 -","- Bi18 Cd8.024 Yb18 -","2","0.25","","Sheng-qing Xia; Svilen Bobev","Interplay between Size and Electronic Effects in Determining the Homogeneity Range of the A9Zn4+xPn9 and A9Cd4+xPn9 Phases (0 <=x<= 0.5), A = Ca, Sr, Yb, Eu; Pn = Sb, Bi","Journal of the American Chemical Society","2007","129","","10011","10018","10.1021/ja0728425","","","0.71073","MoKα","","0.0412","0.0367","","","0.0731","0.0744","","","","","","1.255","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109762","23.402","0.004","13.186","0.002","4.8906","0.0009","90","","90","","90","","1509.1","0.4","120","2","120","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Bi9 Cd4.27 Sr9 -","- Bi9 Cd4.266 Sr9 -","- Bi18 Cd8.532 Sr18 -","2","0.25","","Sheng-qing Xia; Svilen Bobev","Interplay between Size and Electronic Effects in Determining the Homogeneity Range of the A9Zn4+xPn9 and A9Cd4+xPn9 Phases (0 <=x<= 0.5), A = Ca, Sr, Yb, Eu; Pn = Sb, Bi","Journal of the American Chemical Society","2007","129","","10011","10018","10.1021/ja0728425","","","0.71073","MoKα","","0.0495","0.0409","","","0.0818","0.0851","","","","","","1.168","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109763","23.1615","0.0015","13.0114","0.0009","4.8588","0.0003","90","","90","","90","","1464.27","0.17","120","2","120","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Bi9 Cd4.21 Eu9 -","- Bi9 Cd4.21 Eu9 -","- Bi18 Cd8.42 Eu18 -","2","0.25","","Sheng-qing Xia; Svilen Bobev","Interplay between Size and Electronic Effects in Determining the Homogeneity Range of the A9Zn4+xPn9 and A9Cd4+xPn9 Phases (0 <=x<= 0.5), A = Ca, Sr, Yb, Eu; Pn = Sb, Bi","Journal of the American Chemical Society","2007","129","","10011","10018","10.1021/ja0728425","","","0.71073","MoKα","","0.0286","0.0266","","","0.0552","0.0561","","","","","","1.137","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109764","21.997","0.003","12.5243","0.0014","4.6283","0.0005","90","","90","","90","","1275.1","0.3","120","2","120","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Bi9 Yb9 Zn4.03 -","- Bi9 Yb9 Zn4.028 -","- Bi18 Yb18 Zn8.056 -","2","0.25","","Sheng-qing Xia; Svilen Bobev","Interplay between Size and Electronic Effects in Determining the Homogeneity Range of the A9Zn4+xPn9 and A9Cd4+xPn9 Phases (0 <=x<= 0.5), A = Ca, Sr, Yb, Eu; Pn = Sb, Bi","Journal of the American Chemical Society","2007","129","","10011","10018","10.1021/ja0728425","","","0.71073","MoKα","","0.0486","0.0362","","","0.0813","0.0856","","","","","","1.091","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109765","22.0688","0.0016","12.5898","0.0006","4.6336","0.0004","90","","90","","90","","1287.41","0.16","120","2","120","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Bi9 Ca9 Zn4.09 -","- Bi9 Ca9 Zn4.102 -","- Bi18 Ca18 Zn8.204 -","2","0.25","","Sheng-qing Xia; Svilen Bobev","Interplay between Size and Electronic Effects in Determining the Homogeneity Range of the A9Zn4+xPn9 and A9Cd4+xPn9 Phases (0 <=x<= 0.5), A = Ca, Sr, Yb, Eu; Pn = Sb, Bi","Journal of the American Chemical Society","2007","129","","10011","10018","10.1021/ja0728425","","","0.71073","MoKα","","0.0187","0.0174","","","0.0394","0.0397","","","","","","1.218","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109766","25.696","0.006","13.639","0.003","8.651","0.002","90","","95.556","0.005","90","","3017.7","1.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O S2 -","- C16 H18 N2 O S2 -","- C128 H144 N16 O8 S16 -","8","2","","David A. Evans; Keith R. Fandrick; Hyun-Ji Song; Karl A. Scheidt; Risheng Xu","Enantioselective Friedel-Crafts Alkylations Catalyzed by Bis(oxazolinyl)pyridine-Scandium(III) Triflate Complexes","Journal of the American Chemical Society","2007","129","","10029","10041","10.1021/ja072976i","","","0.71073","MoKα","","0.0783","0.0661","","","0.1336","0.139","","","","","","1.232","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109767","6.9","0.0006","10.5226","0.001","34.483","0.003","90","","90","","90","","2503.7","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C120 H144 O24 -","8","2","","Arunkumar Natarajan; C. K. Tsai; Saeed I. Khan; Patrick McCarren; K. N. Houk; Miguel A. Garcia-Garibay","The Photoarrangement of α-Santonin is a Single-Crystal-to-Single-Crystal Reaction: A Long Kept Secret in Solid-State Organic Chemistry Revealed","Journal of the American Chemical Society","2007","129","","9846","9847","10.1021/ja073189o","","","0.71073","MoKα","","0.0361","0.0324","","","0.0811","0.0832","","","","","","1.136","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109768","6.9317","0.0007","10.8194","0.001","34.414","0.003","90","","90","","90","","2580.9","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C120 H144 O24 -","8","2","","Arunkumar Natarajan; C. K. Tsai; Saeed I. Khan; Patrick McCarren; K. N. Houk; Miguel A. Garcia-Garibay","The Photoarrangement of α-Santonin is a Single-Crystal-to-Single-Crystal Reaction: A Long Kept Secret in Solid-State Organic Chemistry Revealed","Journal of the American Chemical Society","2007","129","","9846","9847","10.1021/ja073189o","","","0.71073","MoKα","","0.1592","0.0871","","","0.1902","0.22","","","","","","1.228","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109769","14.56","0.009","7.622","0.005","12.513","0.008","90","","90","","90","","1388.6","1.5","298","2","298","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C31 H40 O7 -","- C31 H40 O7 -","- C62 H80 O14 -","2","0.5","","Arunkumar Natarajan; C. K. Tsai; Saeed I. Khan; Patrick McCarren; K. N. Houk; Miguel A. Garcia-Garibay","The Photoarrangement of α-Santonin is a Single-Crystal-to-Single-Crystal Reaction: A Long Kept Secret in Solid-State Organic Chemistry Revealed","Journal of the American Chemical Society","2007","129","","9846","9847","10.1021/ja073189o","","","0.71073","MoKα","","0.1277","0.0648","","","0.1705","0.2125","","","","","","1.007","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109770","7.792","0.003","14.885","0.005","25.707","0.009","90","","90","","90","","2981.6","1.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 O8 -","- C34 H44 O8 -","- C136 H176 O32 -","4","1","","Arunkumar Natarajan; C. K. Tsai; Saeed I. Khan; Patrick McCarren; K. N. Houk; Miguel A. Garcia-Garibay","The Photoarrangement of α-Santonin is a Single-Crystal-to-Single-Crystal Reaction: A Long Kept Secret in Solid-State Organic Chemistry Revealed","Journal of the American Chemical Society","2007","129","","9846","9847","10.1021/ja073189o","","","0.71073","MoKα","","0.074","0.0561","","","0.1395","0.1524","","","","","","1.039","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109771","14.1676","0.0009","14.1676","0.0009","10.8602","0.0013","90","","90","","120","","1887.8","0.3","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C30 H36 O6 -","- C30 H36 O6 -","- C90 H108 O18 -","3","0.5","","Arunkumar Natarajan; C. K. Tsai; Saeed I. Khan; Patrick McCarren; K. N. Houk; Miguel A. Garcia-Garibay","The Photoarrangement of α-Santonin is a Single-Crystal-to-Single-Crystal Reaction: A Long Kept Secret in Solid-State Organic Chemistry Revealed","Journal of the American Chemical Society","2007","129","","9846","9847","10.1021/ja073189o","","","0.71073","MoKα","","0.0572","0.0313","","","0.06","0.0679","","","","","","0.938","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109772","12.6962","0.0016","17.318","0.002","18.741","0.003","81.343","0.002","77.927","0.002","75.815","0.002","3885.2","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H1.07 Cl Fe N0.29 O -","- C7.71429 Cl0.428571 Fe0.571429 N1.71429 O2.5 -","- C108 Cl6 Fe8 N24 O35 -","14","7","","Theocharis C. Stamatatos; Alexander G. Christou; Candace M. Jones; Brian J. O'Callaghan; Khalil A. Abboud; Ted A. O'Brien; George Christou","""Squaring the Circle"": Molecular Squares and Rectangles from Chelate-Induced Structural Transformations of Known Fe10 and New Fe12 Ferric Wheels","Journal of the American Chemical Society","2007","129","","9840","9841","10.1021/ja073236c","","","0.71073","MoKα","","0.2864","0.1728","","","0.3894","0.4325","","","","","","1.846","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109773","19.293","0.007","19.914","0.008","26.176","0.01","85.786","0.009","81.646","0.008","89.639","0.007","9923","7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C176 H186 Cl8 Fe12 N34 O60 -","- C156 H157 Cl8 Fe12 N24 O60 -","- C312 H314 Cl16 Fe24 N48 O120 -","2","1","","Theocharis C. Stamatatos; Alexander G. Christou; Candace M. Jones; Brian J. O'Callaghan; Khalil A. Abboud; Ted A. O'Brien; George Christou","""Squaring the Circle"": Molecular Squares and Rectangles from Chelate-Induced Structural Transformations of Known Fe10 and New Fe12 Ferric Wheels","Journal of the American Chemical Society","2007","129","","9840","9841","10.1021/ja073236c","","","0.71073","MoKα","","0.2621","0.0867","","","0.1866","0.2172","","","","","","0.68","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109774","19.248","0.001","19.248","0.001","17.868","0.019","90","","90","","120","","5733","6","173","2","173","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C80 H154 Fe12 O50 -","- C72 H132 Fe12 O48 -","- C144 H264 Fe24 O96 -","2","0.166667","","Theocharis C. Stamatatos; Alexander G. Christou; Candace M. Jones; Brian J. O'Callaghan; Khalil A. Abboud; Ted A. O'Brien; George Christou","""Squaring the Circle"": Molecular Squares and Rectangles from Chelate-Induced Structural Transformations of Known Fe10 and New Fe12 Ferric Wheels","Journal of the American Chemical Society","2007","129","","9840","9841","10.1021/ja073236c","","","0.71073","MoKα","","0.1078","0.0519","","","0.113","0.1212","","","","","","0.869","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109775","7.5319","0.0015","11.179","0.002","12.639","0.003","99.22","0.03","94.76","0.03","93.14","0.03","1044.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Cl N O6 -","- C22 H22 Cl N O6 -","- C44 H44 Cl2 N2 O12 -","2","1","","Sang Yeul Lee; Ryan C. Clark; Dale L. Boger","Total Synthesis, Stereochemical Reassignment, and Absolute Configuration of Chlorofusin","Journal of the American Chemical Society","2007","129","","9860","9861","10.1021/ja073264v","","","0.71073","MoKα","","0.0883","0.0629","","","0.1419","0.1554","","","","","","1.071","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109776","7.9229","0.0016","20.997","0.004","25.787","0.005","90","","96.12","0.03","90","","4265.4","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl N O6 -","- C22 H22 Cl N O6 -","- C176 H176 Cl8 N8 O48 -","8","2","","Sang Yeul Lee; Ryan C. Clark; Dale L. Boger","Total Synthesis, Stereochemical Reassignment, and Absolute Configuration of Chlorofusin","Journal of the American Chemical Society","2007","129","","9860","9861","10.1021/ja073264v","","","0.71073","MoKα","","0.0976","0.0675","","","0.1345","0.1486","","","","","","1.098","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109777","10.747","0.002","14.12","0.003","16.719","0.003","107.93","0.03","107.91","0.03","90.12","0.03","2283.7","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 Cl N O6 -","- C21 H28 Cl N O6 -","- C84 H112 Cl4 N4 O24 -","4","2","","Sang Yeul Lee; Ryan C. Clark; Dale L. Boger","Total Synthesis, Stereochemical Reassignment, and Absolute Configuration of Chlorofusin","Journal of the American Chemical Society","2007","129","","9860","9861","10.1021/ja073264v","","","0.71073","MoKα","","0.1341","0.0932","","","0.2253","0.2497","","","","","","1.104","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109778","19.163","0.013","19.74","0.012","22.708","0.012","90","","106.49","0.03","90","","8237","9","153","2","153","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C136 H144 B0.67 F2 N4 O4 P4 Rh2 S4 -","- C136 H128 N4 O4 P4 Rh2 S4 -","- C272 H256 N8 O8 P8 Rh4 S8 -","2","1","","Martin S. Masar; Nathan C. Gianneschi; Christopher G. Oliveri; Charlotte L. Stern; SonBinh T. Nguyen; Chad A. Mirkin","Allosterically Regulated Supramolecular Catalysis of Acyl Transfer Reactions for Signal Amplification and Detection of Small Molecules","Journal of the American Chemical Society","2007","129","","10149","10158","10.1021/ja0711516","","","0.71073","MoKα","","0.2303","0.0861","","","0.2157","0.2787","","","","","","0.876","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109779","8.7862","0.0009","8.0998","0.0008","24.1","0.002","90","","92.679","0.003","90","","1713.2","0.3","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N2 O4 -","- C18 H26 N2 O4 -","- C72 H104 N8 O16 -","4","1","","Andrzej Rajca; Masahiro Takahashi; Maren Pink; Gaëlle Spagnol; Suchada Rajca","Conformationally Constrained, Stable, Triplet Ground State (S=1) Nitroxide Diradicals. Antiferromagnetic Chains of S=1 Diradicals","Journal of the American Chemical Society","2007","129","","10159","10170","10.1021/ja0712017","","","0.71073","MoKα","","0.047","0.0368","","","0.0922","0.1031","","","","","","1.03","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109780","8.658","0.005","20.436","0.011","28.965","0.017","90","","90","","90","","5125","5","95","2","95","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H38 N2 O4 -","- C28 H38 N2 O4 -","- C224 H304 N16 O32 -","8","1","","Andrzej Rajca; Masahiro Takahashi; Maren Pink; Gaëlle Spagnol; Suchada Rajca","Conformationally Constrained, Stable, Triplet Ground State (S=1) Nitroxide Diradicals. Antiferromagnetic Chains of S=1 Diradicals","Journal of the American Chemical Society","2007","129","","10159","10170","10.1021/ja0712017","","","0.43321","synchrotron","","0.1937","0.1178","","","0.2739","0.3285","","","","","","0.993","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109781","25.4534","0.0011","12.5714","0.0006","17.357","0.0008","90","","131.308","0.001","90","","4172","0.3","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H56 Cl4 N4 O8 -","- C38 H56 Cl4 N4 O8 -","- C152 H224 Cl16 N16 O32 -","4","1","","Andrzej Rajca; Masahiro Takahashi; Maren Pink; Gaëlle Spagnol; Suchada Rajca","Conformationally Constrained, Stable, Triplet Ground State (S=1) Nitroxide Diradicals. Antiferromagnetic Chains of S=1 Diradicals","Journal of the American Chemical Society","2007","129","","10159","10170","10.1021/ja0712017","","","0.71073","MoKα","","0.0625","0.057","","","0.1617","0.1699","","","","","","1.056","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109782","12.046","0.0017","14.3395","0.0019","18.279","0.003","85.068","0.003","87.92","0.003","68.748","0.003","2931.7","0.7","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C50.5 H65 Cl1.5 Co F12 N4 O14.25 -","- C50.494 H64.988 Cl1.506 Co F12 N4 O14.247 -","- C100.988 H129.976 Cl3.012 Co2 F24 N8 O28.494 -","2","1","","Andrzej Rajca; Masahiro Takahashi; Maren Pink; Gaëlle Spagnol; Suchada Rajca","Conformationally Constrained, Stable, Triplet Ground State (S=1) Nitroxide Diradicals. Antiferromagnetic Chains of S=1 Diradicals","Journal of the American Chemical Society","2007","129","","10159","10170","10.1021/ja0712017","","","0.71073","MoKα","","0.0789","0.0517","","","0.1311","0.1502","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109783","8.6264","0.0017","11.231","0.002","14.416","0.003","90","","98.86","0.03","90","","1380","0.5","293","2","293","2","","","","","","","synthesis","3","P 1 21/n 1","-P 2yn","14","5+2+1 product","cis-1-methyl-6-oxo-3-phenyl-10-oxabicyclo[6.3.0]undec-2-ene","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","1","","Yuanyuan Wang; Jingxin Wang; Jiachun Su; Feng Huang; Lei Jiao; Yong Liang; Dazhi Yang; Shiwei Zhang; Paul A. Wender; Zhi-Xiang Yu","A Computationally Designed Rh(I)-Catalyzed Two-Component [5+2+1] Cycloaddition of Ene-vinylcyclopropanes and CO for the Synthesis of Cyclooctenones","Journal of the American Chemical Society","2007","129","","10060","10061","10.1021/ja072505w","","x-ray","0.71073","MoKα","","0.082","0.0427","","","0.0914","0.0981","","","","","","0.987","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109784","13.355","0.003","7.8404","0.0016","15.21","0.003","90","","104.52","0.03","90","","1541.7","0.6","293","2","293","2","","","","","","","synthetic","3","P 1 21/n 1","-P 2yn","14","[5+2+1] cycloadduct","Dimethyl trans-3-oxo-7-methylbicyclo[6.3.0]undec-6-ene-10,10-dicarboxylate","","- C16 H22 O5 -","- C16 H22 O5 -","- C64 H88 O20 -","4","1","","Yuanyuan Wang; Jingxin Wang; Jiachun Su; Feng Huang; Lei Jiao; Yong Liang; Dazhi Yang; Shiwei Zhang; Paul A. Wender; Zhi-Xiang Yu","A Computationally Designed Rh(I)-Catalyzed Two-Component [5+2+1] Cycloaddition of Ene-vinylcyclopropanes and CO for the Synthesis of Cyclooctenones","Journal of the American Chemical Society","2007","129","","10060","10061","10.1021/ja072505w","","x-ray","0.71073","MoKα","","0.0859","0.0557","","","0.1518","0.1652","","","","","","1.01","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109785","6.0392","0.0012","18.492","0.004","16.3","0.003","90","","97.27","0.03","90","","1805.7","0.6","293","2","293","2","","","","","","","synthetic","5","P 1 21/n 1","-P 2yn","14","[5+2+1] cycloadduct","cis-N-p-toluenesulfonyl-7-methyl-3-oxo-10-azabicyclo[6.3.0]undec-6-ene","","- C18 H23 N O3 S -","- C18 H23 N O3 S -","- C72 H92 N4 O12 S4 -","4","1","","Yuanyuan Wang; Jingxin Wang; Jiachun Su; Feng Huang; Lei Jiao; Yong Liang; Dazhi Yang; Shiwei Zhang; Paul A. Wender; Zhi-Xiang Yu","A Computationally Designed Rh(I)-Catalyzed Two-Component [5+2+1] Cycloaddition of Ene-vinylcyclopropanes and CO for the Synthesis of Cyclooctenones","Journal of the American Chemical Society","2007","129","","10060","10061","10.1021/ja072505w","","x-ray","0.71073","MoKα","","0.0717","0.0407","","","0.0848","0.0899","","","","","","1.005","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109786","15.646","0.0004","15.646","0.0004","12.5656","0.0007","90","","90","","120","","2663.92","0.18","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- H26 Mn Mo9 O45 Zn3 -","- Mn Mo9 O45 Zn3 -","- Mn3 Mo27 O135 Zn9 -","3","0.166667","","Huaqiao Tan; Yangguang Li; Zhiming Zhang; Chao Qin; Xinlong Wang; Enbo Wang; Zhongmin Su","Chiral Polyoxometalate-Induced Enantiomerically 3D Architectures: A New Route for Synthesis of High-Dimensional Chiral Compounds","Journal of the American Chemical Society","2007","129","","10066","10067","10.1021/ja073153w","","","0.71073","MoKα","","0.0487","0.0469","","","0.1383","0.1406","","","","","","1.063","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109787","15.6562","0.0004","15.6562","0.0004","12.5757","0.0007","90","","90","","120","","2669.53","0.18","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- H26 Mn Mo9 O45 Zn3 -","- Mn Mo9 O45 Zn3 -","- Mn3 Mo27 O135 Zn9 -","3","0.166667","","Huaqiao Tan; Yangguang Li; Zhiming Zhang; Chao Qin; Xinlong Wang; Enbo Wang; Zhongmin Su","Chiral Polyoxometalate-Induced Enantiomerically 3D Architectures: A New Route for Synthesis of High-Dimensional Chiral Compounds","Journal of the American Chemical Society","2007","129","","10066","10067","10.1021/ja073153w","","","0.71073","MoKα","","0.0504","0.0477","","","0.1394","0.1427","","","","","","1.063","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109788","15.957","0.002","15.957","0.002","12.415","0.003","90","","90","","120","","2737.7","0.8","150","2","150","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- H36 Mn Mo9 N6 O38 -","- Mn Mo9 N6 O38 -","- Mn3 Mo27 N18 O114 -","3","0.166667","","Huaqiao Tan; Yangguang Li; Zhiming Zhang; Chao Qin; Xinlong Wang; Enbo Wang; Zhongmin Su","Chiral Polyoxometalate-Induced Enantiomerically 3D Architectures: A New Route for Synthesis of High-Dimensional Chiral Compounds","Journal of the American Chemical Society","2007","129","","10066","10067","10.1021/ja073153w","","","0.71073","MoKα","","0.0211","0.0196","","","0.0517","0.0528","","","","","","1.054","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109789","15.802","0.002","15.802","0.002","12.404","0.003","90","","90","","120","","2682.4","0.8","150","2","150","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- H30 K3 Mn Mo9 N3 O41 -","- K3 Mn Mo9 N3 O41 -","- K9 Mn3 Mo27 N9 O123 -","3","0.166667","","Huaqiao Tan; Yangguang Li; Zhiming Zhang; Chao Qin; Xinlong Wang; Enbo Wang; Zhongmin Su","Chiral Polyoxometalate-Induced Enantiomerically 3D Architectures: A New Route for Synthesis of High-Dimensional Chiral Compounds","Journal of the American Chemical Society","2007","129","","10066","10067","10.1021/ja073153w","","","0.71073","MoKα","","0.0294","0.0288","","","0.0841","0.0848","","","","","","1.13","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109790","12.8811","0.0014","14.1571","0.0016","20.189","0.002","80.497","0.002","73.345","0.002","87.151","0.002","3478.8","0.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C149 H98 B2 Cl2 F48 O4 P4 Rh2 -","- C149 H96 B2 Cl2 F48 O4 P4 Rh2 -","- C149 H96 B2 Cl2 F48 O4 P4 Rh2 -","1","0.5","","Junpei Kuwabara; Charlotte L. Stern; Chad A. Mirkin","A Coordination Chemistry Approach to a Multieffector Enzyme Mimic","Journal of the American Chemical Society","2007","129","","10074","10075","10.1021/ja073447h","","","0.71073","MoKα","","0.0765","0.06","","","0.1577","0.1727","","","","","","1.041","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4109791","12.6353","0.0008","12.8743","0.0008","13.2207","0.0008","109.004","0.001","101.647","0.001","94.507","0.001","1967.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H76 Cl6 O6 P4 Rh2 -","- C88 H76 Cl6 O6 P4 Rh2 -","- C88 H76 Cl6 O6 P4 Rh2 -","1","0.5","","Junpei Kuwabara; Charlotte L. Stern; Chad A. Mirkin","A Coordination Chemistry Approach to a Multieffector Enzyme Mimic","Journal of the American Chemical Society","2007","129","","10074","10075","10.1021/ja073447h","","","0.71073","MoKα","","0.0788","0.0516","","","0.1277","0.1416","","","","","","1.024","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4109792","28.885","0.004","28.885","0.004","28.305","0.006","90","","90","","90","","23616","7","100","2","100","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C304 H216 Cu24 O144 S8 -","- C304 H216 Cu24 O171.56 S8 -","- C608 H432 Cu48 O343.12 S16 -","2","0.125","","John J. Perry; Victor Ch. Kravtsov; Gregory J. McManus; Michael J. Zaworotko","Bottom up Synthesis That Does Not Start at the Bottom: Quadruple Covalent Cross-Linking of Nanoscale Faceted Polyhedra","Journal of the American Chemical Society","2007","129","","10076","10077","10.1021/ja0734952","","","0.71073","MoKα","","0.282","0.1032","","","0.257","0.2874","","","","","","1","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109793","11.1692","0.0003","11.2436","0.0003","11.382","0.0003","88.696","0.003","75.996","0.002","75.586","0.002","1342.17","0.06","125","2","125","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H20 O5 -","- C14 H20 O5 -","- C56 H80 O20 -","4","2","","Sun-Joon Min; Gavin O. Jones; K. N. Houk; Samuel J. Danishefsky","Creating Quaternary Centers with High Exo Stereoselectivity Using Activated α-Alkynyl Dienophiles","Journal of the American Chemical Society","2007","129","","10078","10079","10.1021/ja073528d","","","0.71073","MoKα","","0.1003","0.053","","","0.1081","0.1347","","","","","","1.03","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109794","19.569","0.002","11.8063","0.0014","24.76","0.003","90","","100.108","0.002","90","","5631.7","1.1","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C57.5 H54.5 Au Cl3 F6 O1.5 P5 Pt -","- C57.38 H54.52 Au Cl3 F6 O1.38 P5 Pt -","- C229.52 H218.08 Au4 Cl12 F24 O5.52 P20 Pt4 -","4","1","","Timothy R. Cook; Arthur J. Esswein; Daniel G. Nocera","Metal-Halide Bond Photoactivation from a PtIII-AuII Complex","Journal of the American Chemical Society","2007","129","","10094","10095","10.1021/ja073908z","","","0.71073","MoKα","","0.0373","0.0275","","","0.0639","0.072","","","","","","1.142","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109795","44.296","0.002","11.0985","0.0006","27.3766","0.0014","90","","115.861","0.001","90","","12111","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H55 Au Cl7 F6 P5 Pt -","- C59 H55 Au Cl7 F6 P5 Pt -","- C472 H440 Au8 Cl56 F48 P40 Pt8 -","8","1","","Timothy R. Cook; Arthur J. Esswein; Daniel G. Nocera","Metal-Halide Bond Photoactivation from a PtIII-AuII Complex","Journal of the American Chemical Society","2007","129","","10094","10095","10.1021/ja073908z","","","0.71073","MoKα","","0.0529","0.0477","","","0.1131","0.1152","","","","","","1.165","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109796","16.767","0.013","6.055","0.005","20.972","0.016","90","","97.944","0.014","90","","2109","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O4 -","- C26 H26 N2 O4 -","- C104 H104 N8 O16 -","4","1","","Mohammad Movassaghi; Matthew D. Hill; Omar K. Ahmad","Direct Synthesis of Pyridine Derivatives","Journal of the American Chemical Society","2007","129","","10096","10097","10.1021/ja073912a","","","0.71073","MoKα","","0.0617","0.0415","","","0.0997","0.1107","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109797","10.9609","0.0007","12.4178","0.0008","14.4607","0.0009","90","","107.539","0.001","90","","1876.7","0.2","100","1","295","1","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 Ta -","- C22 H31 Ta -","- C88 H124 Ta4 -","4","1","","Edwin Otten; Auke Meetsma; Bart Hessen","Structure and Reactivity of the β-Agostic [ansa-Cp-arene]Ta(nPr) Cation: Ambivalent Behavior Induced by Intramolecular Arene Coordination","Journal of the American Chemical Society","2007","129","","10100","10101","10.1021/ja073956j","","","0.71073","MoKα","","0.0282","0.0248","","","0.0554","0.0565","","","","","","1.114","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109798","16.061","0.005","18.029","0.005","17.237","0.005","90","","117.258","0.005","90","","4437","2","100","1","100","1","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H31 B Br F20 Ta -","- C49 H31 B Br F20 Ta -","- C196 H124 B4 Br4 F80 Ta4 -","4","1","","Edwin Otten; Auke Meetsma; Bart Hessen","Structure and Reactivity of the β-Agostic [ansa-Cp-arene]Ta(nPr) Cation: Ambivalent Behavior Induced by Intramolecular Arene Coordination","Journal of the American Chemical Society","2007","129","","10100","10101","10.1021/ja073956j","","","0.71073","MoKα","","0.0899","0.0489","","","0.0997","0.1139","","","","","","0.996","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109799","18.087","0.006","11.022","0.004","21.191","0.007","90","","110.293","0.005","90","","3962","2","100","1","100","1","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 B F20 O Ta -","- C44 H28 B F20 O Ta -","- C176 H112 B4 F80 O4 Ta4 -","4","1","","Edwin Otten; Auke Meetsma; Bart Hessen","Structure and Reactivity of the β-Agostic [ansa-Cp-arene]Ta(nPr) Cation: Ambivalent Behavior Induced by Intramolecular Arene Coordination","Journal of the American Chemical Society","2007","129","","10100","10101","10.1021/ja073956j","","","0.71073","MoKα","","0.1214","0.0411","","","0.0792","0.1082","","","","","","0.936","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109800","14.8967","0.0008","15.2744","0.0008","17.686","0.001","90","","94.5624","0.0009","90","","4011.5","0.4","100","1","100","1","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C43.73 H25.38 B Br0.09 F20 O Ta -","- C43.733 H25.377 B Br0.089 F20 O Ta -","- C174.932 H101.508 B4 Br0.356 F80 O4 Ta4 -","4","1","","Edwin Otten; Auke Meetsma; Bart Hessen","Structure and Reactivity of the β-Agostic [ansa-Cp-arene]Ta(nPr) Cation: Ambivalent Behavior Induced by Intramolecular Arene Coordination","Journal of the American Chemical Society","2007","129","","10100","10101","10.1021/ja073956j","","","0.71073","MoKα","","0.0443","0.0334","","","0.0777","0.082","","","","","","1.068","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109801","11.101","0.006","7.937","0.004","14.958","0.008","90","","90.927","0.009","90","","1317.8","1.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 N O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Manabu Wadamoto; Eric M. Phillips; Troy E. Reynolds; Karl A. Scheidt","Enantioselective Synthesis of α,α-Disubstituted Cyclopentenes by an N-Heterocyclic Carbene-Catalyzed Desymmetrization of 1,3-Diketones","Journal of the American Chemical Society","2007","129","","10098","10099","10.1021/ja073987e","","","0.71073","MoKα","","0.1488","0.0826","","","0.1707","0.1955","","","","","","0.969","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109802","6.765","0.002","18.967","0.006","7.707","0.002","90","","90.286","0.005","90","","988.9","0.5","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","Tricyclic Lactone","","","- C11 H13 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","2","","Manabu Wadamoto; Eric M. Phillips; Troy E. Reynolds; Karl A. Scheidt","Enantioselective Synthesis of α,α-Disubstituted Cyclopentenes by an N-Heterocyclic Carbene-Catalyzed Desymmetrization of 1,3-Diketones","Journal of the American Chemical Society","2007","129","","10098","10099","10.1021/ja073987e","","","0.71073","MoKα","","0.1871","0.1608","","","0.4399","0.4531","","","","","","1.655","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109803","9.2308","0.0005","23.025","0.0013","10.6007","0.0006","90","","92.971","0.001","90","","2250","0.2","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","Cyclopentene Absolute Structure","","","- C26 H24 Br N O2 -","- C26 H24 Br N O2 -","- C104 H96 Br4 N4 O8 -","4","2","","Manabu Wadamoto; Eric M. Phillips; Troy E. Reynolds; Karl A. Scheidt","Enantioselective Synthesis of α,α-Disubstituted Cyclopentenes by an N-Heterocyclic Carbene-Catalyzed Desymmetrization of 1,3-Diketones","Journal of the American Chemical Society","2007","129","","10098","10099","10.1021/ja073987e","","","0.71073","MoKα","","0.0356","0.0305","","","0.0772","0.0798","","","","","","0.836","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109804","5.68908","0.00008","4.75461","0.00008","5.51948","0.00012","90","","121.453","0.0011","90","","127.361","0.004","295","","295","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","Technetium dioxide","Technetium (IV) oxide","","- O7.9 Tc4 -","- O7.9 Tc4.0044 -","- O7.9 Tc4.0044 -","1","0.25","","Efrain E. Rodriguez; Frederic Poineau; Anna Llobet; Alfred P. Sattelberger; Joydeep Bhattacharjee; Umesh V. Waghmare; Thomas Hartmann; Anthony K. Cheetham","Structural Studies of TcO2 by Neutron Powder Diffraction and First-Principles Calculations","Journal of the American Chemical Society","2007","129","33","10244","10248","10.1021/ja0727363","powder diffraction","neutron","","","","","","","","","","0.07578","","1.58","","","","","","","has coordinates,has Fobs","181959","2020-10-21","18:00:00",""
"4109805","10.809","0.0004","14.582","0.0005","14.614","0.0006","100.011","0.0014","101.937","0.0014","91.6","0.0015","2214.41","0.14","130","2","130","2","","","","","","","","7","P -1","-P 1","2","avpPtIVSulf","avpPtIVSulf","","- C47 H55.87 N O3 P2 Pt S -","- C47 H55.866 N O3 P2 Pt S -","- C94 H111.732 N2 O6 P4 Pt2 S2 -","2","1","","Andrew V. Pawlikowski; April D. Getty; Karen I. Goldberg","Alkyl Carbon-Nitrogen Reductive Elimination from Platinum(IV)-Sulfonamide Complexes","Journal of the American Chemical Society","2007","129","","10382","10393","10.1021/ja069191h","","","0.71073","MoKα","","0.0733","0.0467","","","0.1041","0.1147","","","","","","0.973","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109806","11.2082","0.0011","17.1248","0.0016","27.882","0.003","90","","90","","90","","5351.6","0.9","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Y3N@C80adduct.0.5benzene.0.5chloroform","","","- C100.5 H17.5 Cl1.5 N O4 Y3 -","- C100.5 H17.5 Cl1.5 N O4 Y3 -","- C402 H70 Cl6 N4 O16 Y12 -","4","1","","Olena Lukoyanova; Claudia M. Cardona; José Rivera; Leyda Z. Lugo-Morales; Christopher J. Chancellor; Marilyn M. Olmstead; Antonio Rodríguez-Fortea; Josep M. Poblet; Alan L. Balch; Luis Echegoyen","""Open Rather than Closed"" Malonate Methano-Fullerene Derivatives. The Formation of Methanofulleroid Adducts of Y3N@C80","Journal of the American Chemical Society","2007","129","","10423","10430","10.1021/ja071733n","","","0.71073","MoKα","","0.1508","0.1013","","","0.262","0.3006","","","","","","1.143","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109807","16.748","0.002","10.335","0.002","17.844","0.002","90","","114.051","0.001","90","","2820.5","0.7","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","[Me4N]Fe(NS3)(NO)]","tetramethylammonium iron-tri-(2-thiobenzyl)aminenitrosyl","","- C26 H34 Fe N3 O2 S3 -","- C26 H34 Fe N3 O2 S3 -","- C104 H136 Fe4 N12 O8 S12 -","4","1","","Jeanet Conradie; Duncan A. Quarless; Hua-Fen Hsu; Todd C. Harrop; Stephen J. Lippard; Stephen A. Koch; Abhik Ghosh","Electronic Structure and FeNO Conformation of Nonheme Iron-Thiolate-NO Complexes: An Experimental and DFT Study","Journal of the American Chemical Society","2007","129","","10446","10456","10.1021/ja0719982","","x-ray","0.71069","MoKα","","0.1294","0.0633","","","0.1301","0.1493","","","","","","1.038","","","","has coordinates,has disorder","178844","2020-10-21","18:00:00",""
"4109808","17.59","0.001","17.765","0.001","19.847","0.002","90","","90","","90","","6201.9","0.8","293","","273.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","Fe(PS3*)(NO)","tris(3-phenyl-2-phenylthiolate)phosphine Iron nitrosyl","","- C36 H24 Fe N O P S3 -","- C36 H24 Fe N O P S3 -","- C288 H192 Fe8 N8 O8 P8 S24 -","8","1","","Jeanet Conradie; Duncan A. Quarless; Hua-Fen Hsu; Todd C. Harrop; Stephen J. Lippard; Stephen A. Koch; Abhik Ghosh","Electronic Structure and FeNO Conformation of Nonheme Iron-Thiolate-NO Complexes: An Experimental and DFT Study","Journal of the American Chemical Society","2007","129","","10446","10456","10.1021/ja0719982","","x-ray","0.7107","MoKalpha","","","0.0406","","","0.0242","","","","","2.237","2.237","","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109809","21.3875","0.0006","22.6852","0.0005","18.1795","0.0005","90","","91.494","0.002","90","","8817.3","0.4","220","2","220","2","","","","","","","Synthesized by the authors. See text","6","C 1 2/c 1","-C 2yc","15","","","","- C85 H66 B2 N6 O2 Ru -","- C85 H66 B2 N6 O2 Ru -","- C340 H264 B8 N24 O8 Ru4 -","4","0.5","","Michael W. Cooke; Garry S. Hanan; Frédérique Loiseau; Sebastiano Campagna; Masashi Watanabe; Yasutaka Tanaka","Self-Assembled Light-Harvesting Systems: Ru(II) Complexes Assembled about Rh-Rh Cores","Journal of the American Chemical Society","2007","129","","10479","10488","10.1021/ja072153t","","","1.54178","CuKα","","0.0549","0.0466","","","0.1136","0.1163","","","","","","0.954","","","","has coordinates,has disorder","178844","2020-10-21","18:00:00",""
"4109810","12.9474","0.0003","13.3066","0.0003","19.128","0.0004","90.348","0.002","93.154","0.001","110.644","0.001","3078.06","0.12","220","2","220","2","","","","","","","Synthesized by the authors. See text","8","P -1","-P 1","2","","","","- C69 H54 B F6 N10 O2 P Ru -","- C69 H54 B F6 N10 O2 P Ru -","- C138 H108 B2 F12 N20 O4 P2 Ru2 -","2","1","","Michael W. Cooke; Garry S. Hanan; Frédérique Loiseau; Sebastiano Campagna; Masashi Watanabe; Yasutaka Tanaka","Self-Assembled Light-Harvesting Systems: Ru(II) Complexes Assembled about Rh-Rh Cores","Journal of the American Chemical Society","2007","129","","10479","10488","10.1021/ja072153t","","","1.54178","CuKα","","0.0662","0.0536","","","0.1361","0.1437","","","","","","0.99","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109811","9.5166","0.0007","13.4933","0.001","26.5103","0.0017","89.659","0.004","82.213","0.004","71.513","0.004","3196.3","0.4","220","2","220","2","","","","","","","Synthesized by the authors. See text","8","P -1","-P 1","2","","","","- C130 H102 B4 F8 N14 O8 Rh2 Ru2 -","- C130 H102 B4 F8 N14 O8 Rh2 Ru2 -","- C130 H102 B4 F8 N14 O8 Rh2 Ru2 -","1","0.5","","Michael W. Cooke; Garry S. Hanan; Frédérique Loiseau; Sebastiano Campagna; Masashi Watanabe; Yasutaka Tanaka","Self-Assembled Light-Harvesting Systems: Ru(II) Complexes Assembled about Rh-Rh Cores","Journal of the American Chemical Society","2007","129","","10479","10488","10.1021/ja072153t","","","1.54178","CuKα","","0.1616","0.0708","","","0.1656","0.1905","","","","","","0.852","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109812","12.378","0.002","22.072","0.004","13.876","0.002","90","","92.644","0.002","90","","3787","1.1","173.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C85 H79 Fe2 S4 -","- C85 H79 Fe2 S4 -","- C170 H158 Fe4 S8 -","2","0.5","","Yasuhiro Ohki; Yohei Ikagawa; Kazuyuki Tatsumi","Synthesis of New [8Fe-7S] Clusters: A Topological Link between the Core Structures of P-Cluster, FeMo-co, and FeFe-co of Nitrogenases","Journal of the American Chemical Society","2007","129","","10457","10465","10.1021/ja072256b","","","0.7107","MoKα","","","0.0578","","","","0.0838","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109813","12.48","0.003","15.646","0.004","36.535","0.008","98.077","0.003","89.789","0.002","101.688","0.003","6914","3","113.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C133.5 H149 Fe8 O2 S12 Si4 -","- C133.5 H149 Fe8 O2 S12 Si4 -","- C267 H298 Fe16 O4 S24 Si8 -","2","1","","Yasuhiro Ohki; Yohei Ikagawa; Kazuyuki Tatsumi","Synthesis of New [8Fe-7S] Clusters: A Topological Link between the Core Structures of P-Cluster, FeMo-co, and FeFe-co of Nitrogenases","Journal of the American Chemical Society","2007","129","","10457","10465","10.1021/ja072256b","","","0.7107","MoKα","","","0.0647","","","","0.1351","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109814","28.225","0.006","21.307","0.004","22.393","0.005","90","","123.519","0.002","90","","11227","4","173.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H114 Fe8 N S11 Si2 -","- C84 H114 Fe8 N S11 Si2 -","- C336 H456 Fe32 N4 S44 Si8 -","4","0.5","","Yasuhiro Ohki; Yohei Ikagawa; Kazuyuki Tatsumi","Synthesis of New [8Fe-7S] Clusters: A Topological Link between the Core Structures of P-Cluster, FeMo-co, and FeFe-co of Nitrogenases","Journal of the American Chemical Society","2007","129","","10457","10465","10.1021/ja072256b","","","0.7107","MoKα","","","0.0924","","","","0.1458","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109815","9.763","0.005","11.61","0.005","12.004","0.005","90","","94.268","0.008","90","","1356.9","1.1","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(3,6-di-tert-butyl-o-benzosemiquinonato)copper(II)","","- C28 H40 Cu O4 -","- C28 H40 Cu O4 -","- C56 H80 Cu2 O8 -","2","0.5","","Victor I. Ovcharenko; Elena V. Gorelik; Sergey V. Fokin; Galina V. Romanenko; Vladimir N. Ikorskii; Anna V. Krashilina; Vladimir K. Cherkasov; Gleb A. Abakumov","Ligand Effects on the Ferro- to Antiferromagnetic Exchange Ratio in Bis(o-Semiquinonato)copper(II)","Journal of the American Chemical Society","2007","129","","10512","10521","10.1021/ja072463b","","","0.71073","MoKα","","0.0302","0.0282","","","0.086","0.091","","","","","","0.512","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109816","9.859","0.002","11.654","0.003","12.09","0.003","90","","94.391","0.005","90","","1385","0.6","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(3,6-di-tert-butyl-o-benzosemiquinonato)copper(II)","","- C28 H40 Cu O4 -","- C28 H40 Cu O4 -","- C56 H80 Cu2 O8 -","2","0.5","","Victor I. Ovcharenko; Elena V. Gorelik; Sergey V. Fokin; Galina V. Romanenko; Vladimir N. Ikorskii; Anna V. Krashilina; Vladimir K. Cherkasov; Gleb A. Abakumov","Ligand Effects on the Ferro- to Antiferromagnetic Exchange Ratio in Bis(o-Semiquinonato)copper(II)","Journal of the American Chemical Society","2007","129","","10512","10521","10.1021/ja072463b","","","0.71073","MoKα","","0.0402","0.0358","","","0.1018","0.111","","","","","","0.57","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109817","10.341","0.0017","17.855","0.003","10.3418","0.0017","90","","90.073","0.002","90","","1909.5","0.5","298","2","298","2","","","","","","","","5","P 1 m 1","P -2y","6","","[bis(3,6-di-tert-butyl-o-benzosemiquinonato)(pyridine)copper(II)] ester solvate","","- C37 H55 Cu N O5 -","- C37 H45 Cu N O5 -","- C74 H90 Cu2 N2 O10 -","2","1","","Victor I. Ovcharenko; Elena V. Gorelik; Sergey V. Fokin; Galina V. Romanenko; Vladimir N. Ikorskii; Anna V. Krashilina; Vladimir K. Cherkasov; Gleb A. Abakumov","Ligand Effects on the Ferro- to Antiferromagnetic Exchange Ratio in Bis(o-Semiquinonato)copper(II)","Journal of the American Chemical Society","2007","129","","10512","10521","10.1021/ja072463b","","","0.71073","MoKα","","0.0568","0.0536","","","0.1252","0.1275","","","","","","1.019","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109818","10.3509","0.0015","10.3509","0.0015","36.281","0.007","90","","90","","90","","3887.2","1.1","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","[bis(3,6-di-tert-butyl-o-benzosemiquinonato)(pyridine)copper(II)] toluene solvate","","- C40 H52 Cu N O4 -","- C40 H45 Cu N O4 -","- C160 H180 Cu4 N4 O16 -","4","0.5","","Victor I. Ovcharenko; Elena V. Gorelik; Sergey V. Fokin; Galina V. Romanenko; Vladimir N. Ikorskii; Anna V. Krashilina; Vladimir K. Cherkasov; Gleb A. Abakumov","Ligand Effects on the Ferro- to Antiferromagnetic Exchange Ratio in Bis(o-Semiquinonato)copper(II)","Journal of the American Chemical Society","2007","129","","10512","10521","10.1021/ja072463b","","","0.71073","MoKα","","0.0854","0.0749","","","0.1697","0.178","","","","","","1.059","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109819","19.725","0.012","7.996","0.004","13.812","0.01","90","","126.653","0.017","90","","1747.7","1.9","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","[bis(3,6-di-tert-butyl-o-benzosemiquinonato) (1,4-diazabicyclo(2,2,2)octane)copper(II)]","","- C34 H52 Cu N2 O4 -","- C34 H40 Cu N2 O4 -","- C68 H80 Cu2 N4 O8 -","2","0.5","","Victor I. Ovcharenko; Elena V. Gorelik; Sergey V. Fokin; Galina V. Romanenko; Vladimir N. Ikorskii; Anna V. Krashilina; Vladimir K. Cherkasov; Gleb A. Abakumov","Ligand Effects on the Ferro- to Antiferromagnetic Exchange Ratio in Bis(o-Semiquinonato)copper(II)","Journal of the American Chemical Society","2007","129","","10512","10521","10.1021/ja072463b","","","0.71073","MoKα","","0.1014","0.0654","","","0.1258","0.1405","","","","","","0.969","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109820","22.851","0.003","11.908","0.0017","17.448","0.003","90","","108.99","0.003","90","","4489.4","1.2","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[bis(3,6-di-tert-butyl-o-benzosemiquinonato) (2-(pyridine-3-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl)) copper(II)] benzene solvate","","- C46 H62 Cu N3 O6 -","- C46 H62 Cu N3 O6 -","- C184 H248 Cu4 N12 O24 -","4","1","","Victor I. Ovcharenko; Elena V. Gorelik; Sergey V. Fokin; Galina V. Romanenko; Vladimir N. Ikorskii; Anna V. Krashilina; Vladimir K. Cherkasov; Gleb A. Abakumov","Ligand Effects on the Ferro- to Antiferromagnetic Exchange Ratio in Bis(o-Semiquinonato)copper(II)","Journal of the American Chemical Society","2007","129","","10512","10521","10.1021/ja072463b","","","0.71073","MoKα","","0.0715","0.058","","","0.1586","0.1754","","","","","","0.672","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109821","7.1324","0.0007","17.6776","0.0017","18.2915","0.0017","90","","90","","90","","2306.3","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[bis(3,6-di-tert-butyl-catechalato)(1-methylimidazole))copper(II)]","","- C44 H64 Cu2 N8 O4 -","- C44 H64 Cu2 N8 O4 -","- C88 H128 Cu4 N16 O8 -","2","0.5","","Victor I. Ovcharenko; Elena V. Gorelik; Sergey V. Fokin; Galina V. Romanenko; Vladimir N. Ikorskii; Anna V. Krashilina; Vladimir K. Cherkasov; Gleb A. Abakumov","Ligand Effects on the Ferro- to Antiferromagnetic Exchange Ratio in Bis(o-Semiquinonato)copper(II)","Journal of the American Chemical Society","2007","129","","10512","10521","10.1021/ja072463b","","","0.71073","MoKα","","0.0356","0.0328","","","0.0824","0.0847","","","","","","0.955","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109822","5.958","","7.596","","15.6096","","81.25","","86.56","","89.8","","696.952","","293","","293","","","","0.00000001","","","","sigma Aldrich","2","P -1","-P 1","2","pentacene","pentacene","","- C22 H14 -","- C22 H14 -","- C44 H28 -","2","1","","Stefan Schiefer; Martin Huth; Alexander Dobrinevski; Bert Nickel","Determination of the Crystal Structure of Substrate-Induced Pentacene Polymorphs in Fiber Structured Thin Films","Journal of the American Chemical Society","2007","129","","10316","10317","10.1021/ja0730516","","x-ray","1.181","synchrotron","","","","","","","","","","","","","","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109823","11.2634","0.0005","13.24","0.0006","16.9092","0.0008","83.795","0.002","86.868","0.002","85.173","0.002","2495.3","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H80 N2 P4 Pd2 -","- C52 H80 N2 P4 Pd2 -","- C104 H160 N4 P8 Pd4 -","2","1","","Claudia M. Fafard; Debashis Adhikari; Bruce M. Foxman; Daniel J. Mindiola; Oleg V. Ozerov","Addition of Ammonia, Water, and Dihydrogen Across a Single Pd-Pd Bond","Journal of the American Chemical Society","2007","129","","10318","10319","10.1021/ja0731571","","","0.71073","MoKα","","0.0636","0.0414","","0.1181","0.0901","0.1181","","","","","","0.9786","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109824","14.2616","0.0004","16.1525","0.0005","16.4867","0.0005","90","","90","","90","","3797.9","0.2","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H12 Co3 O16 -","- C22 H12 Co3 O16 -","- C88 H48 Co12 O64 -","4","0.5","","Zhuojia Lin; David S. Wragg; John E. Warren; Russell E. Morris","Anion Control in the Ionothermal Synthesis of Coordination Polymers","Journal of the American Chemical Society","2007","129","","10334","10335","10.1021/ja0737671","","","0.6713","synchrotron","","0.0363","0.0315","","","0.0994","0.1019","","","","","","0.923","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109825","15.425","0.002","12.1842","0.0016","16.059","0.002","90","","90","","90","","3018.1","0.7","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H25 Co1.3 Li1.4 N4 O12 -","- C29 H25 Co1.3 Li1.4 N4 O12 -","- C116 H100 Co5.2 Li5.6 N16 O48 -","4","0.5","","Zhuojia Lin; David S. Wragg; John E. Warren; Russell E. Morris","Anion Control in the Ionothermal Synthesis of Coordination Polymers","Journal of the American Chemical Society","2007","129","","10334","10335","10.1021/ja0737671","","","0.71073","MoKα","","0.1091","0.0882","","","0.2111","0.2199","","","","","","1.198","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109826","23.705","0.003","23.705","0.003","11.409","0.002","90","","90","","90","","6411","1.6","113","2","113","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C16 H26 Co5 O21 -","- C16 H26 Co5 O21 -","- C128 H208 Co40 O168 -","8","0.5","","Zhuojia Lin; David S. Wragg; John E. Warren; Russell E. Morris","Anion Control in the Ionothermal Synthesis of Coordination Polymers","Journal of the American Chemical Society","2007","129","","10334","10335","10.1021/ja0737671","","","0.71073","MoKα","","0.1034","0.0846","","","0.2071","0.2224","","","","","","1.11","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109827","6.5794","0.001","16.775","0.003","27.264","0.004","90","","93.944","0.004","90","","3002","0.8","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H35 Co2 N4 O24 -","- C56 H35 Co2 N4 O24 -","- C112 H70 Co4 N8 O48 -","2","0.5","","Zhuojia Lin; David S. Wragg; John E. Warren; Russell E. Morris","Anion Control in the Ionothermal Synthesis of Coordination Polymers","Journal of the American Chemical Society","2007","129","","10334","10335","10.1021/ja0737671","","","0.71073","MoKα","","0.0918","0.0772","","","0.1907","0.2012","","","","","","1.065","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109828","9.932","0.0005","11.929","0.0006","21.983","0.0006","82.796","0.003","87.779","0.003","81.784","0.002","2556.9","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","(Me5C5)Fe[(t-Bu2MeSi)3PhGeSi2C2], Heavy Ferrocene","","- C45 H84 Fe Ge Si5 -","- C45 H84 Fe Ge Si5 -","- C90 H168 Fe2 Ge2 Si10 -","2","1","","Vladimir Ya. Lee; Risa Kato; Akira Sekiguchi; Andreas Krapp; Gernot Frenking","Heavy Ferrocene: A Sandwich Complex Containing Si and Ge Atoms","Journal of the American Chemical Society","2007","129","","10340","10341","10.1021/ja0740162","","","0.7107","MoKα","","0.0702","0.0524","","","0.1461","0.1567","","","","","","1.034","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109829","12.467","0.003","15.301","0.004","14.892","0.004","90","","90.615","0.005","90","","2840.6","1.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 N O5 -","- C14 H22 N O5 -","- C112 H176 N8 O40 -","8","2","","Ilia Korboukh; Praveen Kumar; Steven M. Weinreb","Construction of Bridged and Fused Ring Systems via Intramolecular Michael Reactions of Vinylnitroso Compounds","Journal of the American Chemical Society","2007","129","","10342","10343","10.1021/ja074108r","","","0.71073","MoKα","","0.1498","0.1072","","","0.223","0.24","","","","","","1.193","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109830","6.0259","0.0009","8.3222","0.0013","16.08","0.003","90","","98.31","0.002","90","","797.9","0.2","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C38 H48 O6 -","2","1","","Ying-Yeung Yeung; Rong-Jie Chein; E. J. Corey","Conversion of Torgov's Synthesis of Estrone into a Highly Enantioselective and Efficient Process","Journal of the American Chemical Society","2007","129","","10346","10347","10.1021/ja0742434","","","0.71073","MoKα","","0.0493","0.0469","","","0.1218","0.1236","","","","","","1.039","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109831","20.2511","0.0005","16.419","0.0004","28.0348","0.0007","90","","90","","90","","9321.6","0.4","98","2","98","2","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C39 H75 Al B Br Cl3 N P2 Pt Si -","- C39 H75 Al B Br Cl3 N P2 Pt Si -","- C312 H600 Al8 B8 Br8 Cl24 N8 P16 Pt8 Si8 -","8","1","","Holger Braunschweig; Krzysztof Radacki; Daniela Rais; Achim Schneider; Fabian Seeler","Reactivity of a Platinum Iminoboryl Complex toward Lewis and Brønsted Acids","Journal of the American Chemical Society","2007","129","","10350","10351","10.1021/ja0742636","","","0.71073","MoKα","","0.0215","0.0163","","","0.0391","0.0429","","","","","","1.125","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4109832","12.5197","0.0003","13.0247","0.0003","27.1871","0.0006","90","","96.61","0.001","90","","4403.8","0.18","97","2","97","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C40 H78 B Br N O P2 Pt Si -","- C40 H78 B Br N O P2 Pt Si -","- C160 H312 B4 Br4 N4 O4 P8 Pt4 Si4 -","4","1","","Holger Braunschweig; Krzysztof Radacki; Daniela Rais; Achim Schneider; Fabian Seeler","Reactivity of a Platinum Iminoboryl Complex toward Lewis and Brønsted Acids","Journal of the American Chemical Society","2007","129","","10350","10351","10.1021/ja0742636","","","0.71073","MoKα","","0.0275","0.0209","","","0.0456","0.048","","","","","","1.016","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109833","5.958","","7.596","","15.6096","","81.25","","86.56","","89.8","","696.952","","293","","293","","","","0.00000001","","","","sigma Aldrich","2","P -1","-P 1","2","pentacene","pentacene","","- C22 H14 -","- C22 H14 -","- C44 H28 -","2","1","","Stefan Schiefer; Martin Huth; Alexander Dobrinevski; Bert Nickel","Determination of the Crystal Structure of Substrate-Induced Pentacene Polymorphs in Fiber Structured Thin Films","Journal of the American Chemical Society","2007","129","","10316","10317","10.1021/ja0730516","","x-ray","1.181","synchrotron","","","","","","","","","","","","","","","4109822","","has coordinates","215354","2020-10-21","18:00:00",""
"4109834","5.959","","7.596","","15.6096","","81.25","","86.56","","89.8","","697.069","","293","","293","","","","0.00000001","","","","sigma Aldrich","2","P -1","-P 1","2","pentacene","pentacene","","- C22 H14 -","- C22 H14 -","- C44 H28 -","2","1","","Stefan Schiefer; Martin Huth; Alexander Dobrinevski; Bert Nickel","Determination of the Crystal Structure of Substrate-Induced Pentacene Polymorphs in Fiber Structured Thin Films","Journal of the American Chemical Society","2007","129","","10316","10317","10.1021/ja0730516","","x-ray","1.181","synchrotron","","","","","","","","","","","","","","","4109822","","has coordinates","215354","2020-10-21","18:00:00",""
"4109835","21.481","0.005","21.481","0.005","15.148","0.005","90","","90","","90","","6990","3","150","2","150","2","","","","","","","","4","I -4","I -4","82","Mn12tert-butyl-acetate","","","- C101 H191 Mn12 O49 -","- C101 H191 Mn12 O49 -","- C202 H382 Mn24 O98 -","2","0.25","","Anne-Laure Barra; Andrea Caneschi; Andrea Cornia; Dante Gatteschi; Lapo Gorini; Leo-Philipp Heiniger; Roberta Sessoli; Lorenzo Sorace","The Origin of Transverse Anisotropy in Axially Symmetric Single Molecule Magnets","Journal of the American Chemical Society","2007","129","","10754","10762","10.1021/ja0717921","","","0.71073","MoKα","","0.0686","0.0568","","","0.145","0.1632","","","","","","1.167","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109836","9.9385","0.0004","18.2555","0.0007","18.91","0.0007","90","","90","","90","","3430.9","0.2","90","1","90","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","C20H30O3","","","- C20 H30 O3 -","- C20 H30 O3 -","- C160 H240 O24 -","8","1","","Joachim Nikolai; Øystein Loe; Paulina M. Dominiak; Oksana O. Gerlitz; Jochen Autschbach; Huw M. L. Davies","Mechanistic Studies of UV Assisted [4 + 2] Cycloadditions in Synthetic Efforts toward Vibsanin E","Journal of the American Chemical Society","2007","129","","10763","10772","10.1021/ja072090e","","","0.71073","MoKα","","0.0531","0.0392","","","0.0945","0.109","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109837","8.5877","0.0003","14.5481","0.0005","10.6914","0.0003","90","","111.76","0.001","90","","1240.55","0.07","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7,7,11-Trimethyl-6-oxa-tetracyclo[6.3.2.0*4,13*.0*2,11*] tridecan-3-one","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Joachim Nikolai; Øystein Loe; Paulina M. Dominiak; Oksana O. Gerlitz; Jochen Autschbach; Huw M. L. Davies","Mechanistic Studies of UV Assisted [4 + 2] Cycloadditions in Synthetic Efforts toward Vibsanin E","Journal of the American Chemical Society","2007","129","","10763","10772","10.1021/ja072090e","","","0.71073","MoKα","","0.0393","0.0369","","","0.0974","0.1001","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109838","10.923","0.002","16.311","0.003","18.734","0.003","75.545","0.002","76.371","0.002","77.167","0.002","3093.4","0.9","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Sc3N@C78[D3h(78:5)](CH2N(C(C6H5)3)CH2)","","","- C114 H34 N2 Sc3 -","- C114 H34 N2 Sc3 -","- C228 H68 N4 Sc6 -","2","1","","Ting Cai; Liaosa Xu; Harry W. Gibson; Harry C. Dorn; Christopher J. Chancellor; Marilyn M. Olmstead; Alan L. Balch","Sc3N@C78: Encapsulated Cluster Regiocontrol of Adduct Docking on an Ellipsoidal Metallofullerene Sphere","Journal of the American Chemical Society","2007","129","","10795","10800","10.1021/ja072345o","","","0.71073","MoKα","","0.1802","0.0679","","","0.1222","0.1469","","","","","","0.816","","","","has coordinates,has disorder","178844","2020-10-21","18:00:00",""
"4109839","11.0587","0.0012","11.3607","0.0013","13.9423","0.0015","76.804","0.001","84.652","0.001","89.438","0.001","1697.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H54 La2 Mn N16 O23 -","- C64 H54 La2 Mn N16 O23 -","- C64 H54 La2 Mn N16 O23 -","1","0.5","","Peng Wang; Jian-Ping Ma; Yu-Bin Dong; Ru-Qi Huang","Tunable Luminescent Lanthanide Coordination Polymers Based on Reversible Solid-State Ion-Exchange Monitored by Ion-Dependent Photoinduced Emission Spectra","Journal of the American Chemical Society","2007","129","","10620","10621","10.1021/ja072442h","","","0.71073","MoKα","","0.0388","0.0367","","","0.0953","0.0965","","","","","","1.078","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109840","11.122","0.0011","11.1502","0.0011","27.107","0.003","79.744","0.001","86.15","0.001","89.992","0.001","3300.2","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H106 Gd4 Mn2 N32 O45 -","- C128 H106 Gd4 Mn2 N32 O45 -","- C128 H106 Gd4 Mn2 N32 O45 -","1","0.5","","Peng Wang; Jian-Ping Ma; Yu-Bin Dong; Ru-Qi Huang","Tunable Luminescent Lanthanide Coordination Polymers Based on Reversible Solid-State Ion-Exchange Monitored by Ion-Dependent Photoinduced Emission Spectra","Journal of the American Chemical Society","2007","129","","10620","10621","10.1021/ja072442h","","","0.71073","MoKα","","0.0465","0.038","","","0.1011","0.1058","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109841","11.139","0.003","11.154","0.003","27.17","0.008","79.687","0.005","86.145","0.004","89.942","0.005","3313.5","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H104 Eu4 Mn2 N32 O44 -","- C128 H104 Eu4 Mn2 N32 O44 -","- C128 H104 Eu4 Mn2 N32 O44 -","1","0.5","","Peng Wang; Jian-Ping Ma; Yu-Bin Dong; Ru-Qi Huang","Tunable Luminescent Lanthanide Coordination Polymers Based on Reversible Solid-State Ion-Exchange Monitored by Ion-Dependent Photoinduced Emission Spectra","Journal of the American Chemical Society","2007","129","","10620","10621","10.1021/ja072442h","","","0.71073","MoKα","","0.1365","0.1244","","","0.2636","0.2694","","","","","","1.293","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109842","11.1188","0.0016","11.1414","0.0016","27.065","0.004","79.742","0.002","86.224","0.002","89.898","0.002","3291.9","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H106 Mn2 N32 O45 Tb4 -","- C128 H106 Mn2 N32 O45 Tb4 -","- C128 H106 Mn2 N32 O45 Tb4 -","1","0.5","","Peng Wang; Jian-Ping Ma; Yu-Bin Dong; Ru-Qi Huang","Tunable Luminescent Lanthanide Coordination Polymers Based on Reversible Solid-State Ion-Exchange Monitored by Ion-Dependent Photoinduced Emission Spectra","Journal of the American Chemical Society","2007","129","","10620","10621","10.1021/ja072442h","","","0.71073","MoKα","","0.0461","0.0394","","","0.0989","0.1023","","","","","","1.042","","","","has coordinates,has disorder","178844","2020-10-21","18:00:00",""
"4109843","11.7663","0.0013","11.9389","0.0013","19.363","0.002","91.531","0.002","96.811","0.002","114.129","0.002","2456.4","0.5","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H37.33 N10.67 U1.33 -","- C29 H37.3333 N10.6667 U1.33333 -","- C87 H112 N32 U4 -","3","1.5","","Stosh A. Kozimor; Bart M. Bartlett; Jeffrey D. Rinehart; Jeffrey R. Long","Magnetic Exchange Coupling in Chloride-Bridged 5f-3d Heterometallic Complexes Generated via Insertion into a Uranium(IV) Dimethylpyrazolate Dimer","Journal of the American Chemical Society","2007","129","","10672","10674","10.1021/ja0725044","","","0.71073","MoKα","","0.0759","0.0441","","","0.0907","0.0992","","","","","","1.026","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109844","8.6148","0.0008","18.0404","0.0017","8.8525","0.0008","90","","91.258","0.002","90","","1375.5","0.2","170","2","170","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H36 N8 O U -","- C24 H28 N8 O U -","- C48 H56 N16 O2 U2 -","2","0.5","","Stosh A. Kozimor; Bart M. Bartlett; Jeffrey D. Rinehart; Jeffrey R. Long","Magnetic Exchange Coupling in Chloride-Bridged 5f-3d Heterometallic Complexes Generated via Insertion into a Uranium(IV) Dimethylpyrazolate Dimer","Journal of the American Chemical Society","2007","129","","10672","10674","10.1021/ja0725044","","","0.71073","MoKα","","0.0421","0.0323","","","0.0721","0.0746","","","","","","1.007","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109845","11.486","0.002","12.158","0.002","14.894","0.003","72.521","0.002","76.769","0.003","73.953","0.002","1882.3","0.6","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H88 Cl10 N20 Ni U2 -","- C54 H88 Cl10 N20 Ni U2 -","- C54 H88 Cl10 N20 Ni U2 -","1","0.5","","Stosh A. Kozimor; Bart M. Bartlett; Jeffrey D. Rinehart; Jeffrey R. Long","Magnetic Exchange Coupling in Chloride-Bridged 5f-3d Heterometallic Complexes Generated via Insertion into a Uranium(IV) Dimethylpyrazolate Dimer","Journal of the American Chemical Society","2007","129","","10672","10674","10.1021/ja0725044","","","0.71073","MoKα","","0.057","0.0479","","","0.1343","0.1444","","","","","","1.097","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109846","11.4245","0.0015","12.2422","0.0016","14.9852","0.0019","72.148","0.002","76.875","0.002","73.823","0.002","1892.8","0.4","165","","165","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H88 Cl10 Cu N20 U2 -","- C54 H88 Cl10 Cu N20 U2 -","- C54 H88 Cl10 Cu N20 U2 -","1","0.5","","Stosh A. Kozimor; Bart M. Bartlett; Jeffrey D. Rinehart; Jeffrey R. Long","Magnetic Exchange Coupling in Chloride-Bridged 5f-3d Heterometallic Complexes Generated via Insertion into a Uranium(IV) Dimethylpyrazolate Dimer","Journal of the American Chemical Society","2007","129","","10672","10674","10.1021/ja0725044","","","0.71073","MoKα","","0.0687","0.0472","","","0.0965","0.1024","","","","","","1.001","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109847","11.4596","0.0014","12.2197","0.0015","14.9748","0.0018","72.156","0.002","76.694","0.002","73.785","0.002","1892.6","0.4","165","2","165","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H88 Cl10 N20 U2 Zn -","- C54 H88 Cl10 N20 U2 Zn -","- C54 H88 Cl10 N20 U2 Zn -","1","0.5","","Stosh A. Kozimor; Bart M. Bartlett; Jeffrey D. Rinehart; Jeffrey R. Long","Magnetic Exchange Coupling in Chloride-Bridged 5f-3d Heterometallic Complexes Generated via Insertion into a Uranium(IV) Dimethylpyrazolate Dimer","Journal of the American Chemical Society","2007","129","","10672","10674","10.1021/ja0725044","","","0.71073","MoKα","","0.0565","0.042","","","0.0901","0.0941","","","","","","1.041","","","","has coordinates,has disorder","178844","2020-10-21","18:00:00",""
"4109848","11.813","0.002","18.933","0.004","46.577","0.009","90","","90","","90","","10417","3","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H42.67 K N10 O U -","- C29 H42.6667 K N10 O U -","- C348 H512 K12 N120 O12 U12 -","12","3","","Stosh A. Kozimor; Bart M. Bartlett; Jeffrey D. Rinehart; Jeffrey R. Long","Magnetic Exchange Coupling in Chloride-Bridged 5f-3d Heterometallic Complexes Generated via Insertion into a Uranium(IV) Dimethylpyrazolate Dimer","Journal of the American Chemical Society","2007","129","","10672","10674","10.1021/ja0725044","","","0.71073","MoKα","","0.1046","0.0697","","","0.1252","0.1333","","","","","","1.11","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109849","10.026","0.003","10.8","0.003","12.502","0.003","75.06","0.02","80.43","0.02","87.14","0.02","1289.7","0.6","293","","293","","","","","","","","","4","P -1","-P 1","2","TTFIm-Me2TCNQ","","","- C25 H17 N7 S4 -","- C25 H17 N7 S4 -","- C50 H34 N14 S8 -","2","1","","Tsuyoshi Murata; Yasushi Morita; Yumi Yakiyama; Kozo Fukui; Hideki Yamochi; Gunzi Saito; Kazuhiro Nakasuji","Hydrogen-Bond Interaction in Organic Conductors: Redox Activation, Molecular Recognition, Structural Regulation, and Proton Transfer in Donor-Acceptor Charge-Transfer Complexes of TTF-Imidazole","Journal of the American Chemical Society","2007","129","","10837","10846","10.1021/ja072607m","","","0.71073","MoKα","","0.1245","0.0515","","","0.1177","0.1537","","","","","","0.995","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109850","3.7573","0.0002","12.2435","0.0004","15.8037","0.0005","93.996","0.003","85.915","0.003","82.138","0.003","716.02","0.05","293.1","","","","","","","","","","","6","P -1","-P 1","2","TTFIm-QCl4","","","- C24 H12 Cl4 N4 O2 S8 -","- C24 H12 Cl4 N4 O2 S8 -","- C24 H12 Cl4 N4 O2 S8 -","1","0.5","","Tsuyoshi Murata; Yasushi Morita; Yumi Yakiyama; Kozo Fukui; Hideki Yamochi; Gunzi Saito; Kazuhiro Nakasuji","Hydrogen-Bond Interaction in Organic Conductors: Redox Activation, Molecular Recognition, Structural Regulation, and Proton Transfer in Donor-Acceptor Charge-Transfer Complexes of TTF-Imidazole","Journal of the American Chemical Society","2007","129","","10837","10846","10.1021/ja072607m","","","1.5418","CuKα","","","0.058","","","","0.171","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109851","26.714","0.005","7.2769","0.0015","28.486","0.006","90","","109.406","0.009","90","","5222.9","1.8","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","TTFIm-TENF","","","- C46 H23 N13 O18 S8 -","- C46 H23 N13 O18 S8 -","- C184 H92 N52 O72 S32 -","4","1","","Tsuyoshi Murata; Yasushi Morita; Yumi Yakiyama; Kozo Fukui; Hideki Yamochi; Gunzi Saito; Kazuhiro Nakasuji","Hydrogen-Bond Interaction in Organic Conductors: Redox Activation, Molecular Recognition, Structural Regulation, and Proton Transfer in Donor-Acceptor Charge-Transfer Complexes of TTF-Imidazole","Journal of the American Chemical Society","2007","129","","10837","10846","10.1021/ja072607m","","","0.71075","MoKα","","0.0851","0.0479","","","0.1182","0.1277","","","","","","0.917","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109852","9.915","0.004","11.356","0.004","19.254","0.007","73.67","0.02","81.53","0.02","74.6","0.02","1999.6","1.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","TTFIm-I5","","","- C18 H12 I10 N4 S8 -","- C18 H12 I10 N4 S8 -","- C36 H24 I20 N8 S16 -","2","1","","Tsuyoshi Murata; Yasushi Morita; Yumi Yakiyama; Kozo Fukui; Hideki Yamochi; Gunzi Saito; Kazuhiro Nakasuji","Hydrogen-Bond Interaction in Organic Conductors: Redox Activation, Molecular Recognition, Structural Regulation, and Proton Transfer in Donor-Acceptor Charge-Transfer Complexes of TTF-Imidazole","Journal of the American Chemical Society","2007","129","","10837","10846","10.1021/ja072607m","","","0.71075","MoKα","","0.115","0.0714","","","0.1741","0.2094","","","","","","0.878","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109853","25.3","0.019","3.799","0.003","21.166","0.016","90","","90","","90","","2034","3","113","2","113","2","","","","","","","","6","P n a 21","P 2c -2n","33","TTFIm-HCA","","","- C15 H10 Cl2 N2 O5 S4 -","- C15 H8 Cl2 N2 O5 S4 -","- C60 H32 Cl8 N8 O20 S16 -","4","1","","Tsuyoshi Murata; Yasushi Morita; Yumi Yakiyama; Kozo Fukui; Hideki Yamochi; Gunzi Saito; Kazuhiro Nakasuji","Hydrogen-Bond Interaction in Organic Conductors: Redox Activation, Molecular Recognition, Structural Regulation, and Proton Transfer in Donor-Acceptor Charge-Transfer Complexes of TTF-Imidazole","Journal of the American Chemical Society","2007","129","","10837","10846","10.1021/ja072607m","","","0.7107","MoKα","","0.1128","0.0721","","","0.1771","0.2207","","","","","","0.99","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109854","9.543","0.004","11.055","0.005","11.867","0.005","81.89","0.02","66.33","0.02","65.98","0.02","1047","0.8","200.2","","","","","","","","","","","5","P -1","-P 1","2","TTFIm-NA","","","- C17 H10 N5 O8 S4 -","- C17 H10 N5 O8 S4 -","- C34 H20 N10 O16 S8 -","2","1","","Tsuyoshi Murata; Yasushi Morita; Yumi Yakiyama; Kozo Fukui; Hideki Yamochi; Gunzi Saito; Kazuhiro Nakasuji","Hydrogen-Bond Interaction in Organic Conductors: Redox Activation, Molecular Recognition, Structural Regulation, and Proton Transfer in Donor-Acceptor Charge-Transfer Complexes of TTF-Imidazole","Journal of the American Chemical Society","2007","129","","10837","10846","10.1021/ja072607m","","","0.7107","MoKα","","","0.0636","","","","0.1538","","","","","","2.525","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109855","13.9561","0.0004","22.5253","0.0006","24.9183","0.0006","90","","121.322","0.003","90","","6691.8","0.4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Compound 1","","","- C74 H90 I2 Zn2 -","- C74 H90 I2 Zn2 -","- C296 H360 I8 Zn8 -","4","1","","Zhongliang Zhu; Marcin Brynda; Robert J. Wright; Roland C. Fischer; W. Alexander Merrill; Eric Rivard; Robert Wolf; James C. Fettinger; Marilyn M. Olmstead; Philip P. Power","Synthesis and Characterization of the Homologous M-M Bonded Series Ar'MMAr' (M = Zn, Cd, or Hg; Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) and Related Arylmetal Halides and Hydride Species","Journal of the American Chemical Society","2007","129","","10847","10857","10.1021/ja072682x","","","0.71073","MoKα","","0.0583","0.0317","","","0.0737","0.0841","","","","","","1.013","","","","has coordinates,has disorder","178844","2020-10-21","18:00:00",""
"4109856","11.2906","0.0008","18.915","0.0012","26.6677","0.0017","90","","90","","90","","5695.2","0.7","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Compound 2","","","- C60 H74 Cd2 I2 -","- C60 H74 Cd2 I2 -","- C240 H296 Cd8 I8 -","4","1","","Zhongliang Zhu; Marcin Brynda; Robert J. Wright; Roland C. Fischer; W. Alexander Merrill; Eric Rivard; Robert Wolf; James C. Fettinger; Marilyn M. Olmstead; Philip P. Power","Synthesis and Characterization of the Homologous M-M Bonded Series Ar'MMAr' (M = Zn, Cd, or Hg; Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) and Related Arylmetal Halides and Hydride Species","Journal of the American Chemical Society","2007","129","","10847","10857","10.1021/ja072682x","","","0.71073","MoKα","","0.059","0.0407","","","0.0804","0.0879","","","","","","1.103","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109857","16.7028","0.0018","20.891","0.002","7.9572","0.0009","90","","90","","90","","2776.6","0.5","90","2","90","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Compound 3","","","- C30 H37 Hg I -","- C30 H37 Hg I -","- C120 H148 Hg4 I4 -","4","0.5","","Zhongliang Zhu; Marcin Brynda; Robert J. Wright; Roland C. Fischer; W. Alexander Merrill; Eric Rivard; Robert Wolf; James C. Fettinger; Marilyn M. Olmstead; Philip P. Power","Synthesis and Characterization of the Homologous M-M Bonded Series Ar'MMAr' (M = Zn, Cd, or Hg; Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) and Related Arylmetal Halides and Hydride Species","Journal of the American Chemical Society","2007","129","","10847","10857","10.1021/ja072682x","","","0.71073","MoKα","","0.0364","0.0302","","","0.0718","0.0753","","","","","","1.118","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109858","15.243","0.0009","17.3351","0.0011","15.0018","0.0009","90","","120.534","0.001","90","","3414.4","0.4","223","2","223","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Compound 5","","","- C78 H92 Cd2 -","- C78 H96 Cd2 -","- C156 H192 Cd4 -","2","0.25","","Zhongliang Zhu; Marcin Brynda; Robert J. Wright; Roland C. Fischer; W. Alexander Merrill; Eric Rivard; Robert Wolf; James C. Fettinger; Marilyn M. Olmstead; Philip P. Power","Synthesis and Characterization of the Homologous M-M Bonded Series Ar'MMAr' (M = Zn, Cd, or Hg; Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) and Related Arylmetal Halides and Hydride Species","Journal of the American Chemical Society","2007","129","","10847","10857","10.1021/ja072682x","","","0.71073","MoKα","","0.0569","0.0363","","","0.0915","0.1018","","","","","","1.045","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109859","17.2416","0.0009","25.4186","0.0013","15.1465","0.0008","90","","90","","90","","6638.1","0.6","90","2","90","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","Compound 6","","","- C78 H74 D18 Hg2 -","- C78 H74 D18 Hg2 -","- C312 H296 D72 Hg8 -","4","0.25","","Zhongliang Zhu; Marcin Brynda; Robert J. Wright; Roland C. Fischer; W. Alexander Merrill; Eric Rivard; Robert Wolf; James C. Fettinger; Marilyn M. Olmstead; Philip P. Power","Synthesis and Characterization of the Homologous M-M Bonded Series Ar'MMAr' (M = Zn, Cd, or Hg; Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) and Related Arylmetal Halides and Hydride Species","Journal of the American Chemical Society","2007","129","","10847","10857","10.1021/ja072682x","","","0.71073","MoKα","","0.0447","0.0192","","","0.0404","0.0508","","","","","","1.13","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109860","20.5438","0.0008","15.7065","0.0006","16.3757","0.0006","90","","90","","90","","5284","0.3","90","2","90","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","Compound 9","","","- C60 H76 Cd2 -","- C60 H76 Cd2 -","- C240 H304 Cd8 -","4","0.5","","Zhongliang Zhu; Marcin Brynda; Robert J. Wright; Roland C. Fischer; W. Alexander Merrill; Eric Rivard; Robert Wolf; James C. Fettinger; Marilyn M. Olmstead; Philip P. Power","Synthesis and Characterization of the Homologous M-M Bonded Series Ar'MMAr' (M = Zn, Cd, or Hg; Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) and Related Arylmetal Halides and Hydride Species","Journal of the American Chemical Society","2007","129","","10847","10857","10.1021/ja072682x","","","0.71073","MoKα","","0.0766","0.0487","","","0.1176","0.1437","","","","","","1.052","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109861","12.3128","0.0018","8.821","0.0013","18.775","0.003","90","","106.79","0.003","90","","1952.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Br O2 -","- C22 H23 Br O2 -","- C88 H92 Br4 O8 -","4","1","","Zhenhua Gu; Xinke Wang; Wei Shu; Shengming Ma","Palladium Acetate-Catalyzed Cyclization Reaction of 2,3-Allenoic Acids in the Presence of Simple Allenes: An Efficient Synthesis of 4-(1'-Bromoalk-2'(Z)-en-2'-yl)furan-2(5H)-one Derivatives and the Synthetic Application","Journal of the American Chemical Society","2007","129","","10948","10956","10.1021/ja072790j","","","0.71073","MoKα","","0.1407","0.0685","","","0.1974","0.2226","","","","","","0.834","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109862","7.8406","0.001","11.7468","0.0015","12.4428","0.0016","76.331","0.002","75.28","0.002","89.708","0.002","1075.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 Br2 O2 -","- C23 H26 Br2 O2 -","- C46 H52 Br4 O4 -","2","1","","Zhenhua Gu; Xinke Wang; Wei Shu; Shengming Ma","Palladium Acetate-Catalyzed Cyclization Reaction of 2,3-Allenoic Acids in the Presence of Simple Allenes: An Efficient Synthesis of 4-(1'-Bromoalk-2'(Z)-en-2'-yl)furan-2(5H)-one Derivatives and the Synthetic Application","Journal of the American Chemical Society","2007","129","","10948","10956","10.1021/ja072790j","","","0.71073","MoKα","","0.0871","0.0603","","","0.1625","0.1837","","","","","","0.935","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109863","27.7307","0.0011","9.6208","0.0004","14.9968","0.0005","90","","90","","90","","4001","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H17 Cl2 N O5 W -","- C18 H17 Cl2 N O5 W -","- C144 H136 Cl16 N8 O40 W8 -","8","1","","Andrew B. Jackson; Cynthia K. Schauer; Peter S. White; Joseph L. Templeton","Tungsten(II) Monocarbonyl Bis(acetylacetonate): A Fourteen-Electron Docking Site for η2Four-Electron Donor Ligands","Journal of the American Chemical Society","2007","129","","10628","10629","10.1021/ja0728270","","","0.71073","MoKα","","0.0468","0.041","","","0.0944","0.0977","","","","","","1.072","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109864","8.9096","0.0002","39.8596","0.0009","13.1378","0.0003","90","","97.651","0.001","90","","4624.13","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N O5 W -","- C24 H25 N O5 W -","- C192 H200 N8 O40 W8 -","8","2","","Andrew B. Jackson; Cynthia K. Schauer; Peter S. White; Joseph L. Templeton","Tungsten(II) Monocarbonyl Bis(acetylacetonate): A Fourteen-Electron Docking Site for η2Four-Electron Donor Ligands","Journal of the American Chemical Society","2007","129","","10628","10629","10.1021/ja0728270","","","0.71073","MoKα","","0.0733","0.0425","","","0.0714","0.0798","","","","","","1.024","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109865","7.7644","0.0004","8.5412","0.0004","29.7831","0.0013","90","","90","","90","","1975.13","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl2 O6 W -","- C18 H18 Cl2 O6 W -","- C72 H72 Cl8 O24 W4 -","4","1","","Andrew B. Jackson; Cynthia K. Schauer; Peter S. White; Joseph L. Templeton","Tungsten(II) Monocarbonyl Bis(acetylacetonate): A Fourteen-Electron Docking Site for η2Four-Electron Donor Ligands","Journal of the American Chemical Society","2007","129","","10628","10629","10.1021/ja0728270","","","0.71073","MoKα","","0.025","0.0219","","","0.0423","0.0433","","","","","","1.039","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109866","8.9457","0.0001","13.5475","0.0002","26.6866","0.0004","90","","90","","90","","3234.2","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O6 W -","- C14 H20 O6 W -","- C112 H160 O48 W8 -","8","2","","Andrew B. Jackson; Cynthia K. Schauer; Peter S. White; Joseph L. Templeton","Tungsten(II) Monocarbonyl Bis(acetylacetonate): A Fourteen-Electron Docking Site for η2Four-Electron Donor Ligands","Journal of the American Chemical Society","2007","129","","10628","10629","10.1021/ja0728270","","","0.71073","MoKα","","0.0516","0.0437","","","0.0898","0.0929","","","","","","1.107","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109867","8.9216","0.0008","6.9662","0.0006","11.5578","0.001","90","","99.224","0.004","90","","709.02","0.11","228","2","228","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 N O7 -","- C14 H13 N O7 -","- C28 H26 N2 O14 -","2","1","","Hexin Xie; Liansuo Zu; Hao Li; Jian Wang; Wei Wang","Organocatalytic Enantioselective Cascade Michael-Alkylation Reactions: Synthesis of Chiral Cyclopropanes and Investigation of Unexpected Organocatalyzed Stereoselective Ring Opening of Cyclopropanes","Journal of the American Chemical Society","2007","129","","10886","10894","10.1021/ja073262a","","","0.71073","MoKα","","0.0367","0.0337","","","0.0763","0.0786","","","","","","0.966","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109868","11.5548","0.0007","14.7492","0.0008","11.6438","0.0007","90","","92.817","0.003","90","","1982","0.2","228","2","228","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Br N O5 -","- C20 H18 Br N O5 -","- C80 H72 Br4 N4 O20 -","4","2","","Hexin Xie; Liansuo Zu; Hao Li; Jian Wang; Wei Wang","Organocatalytic Enantioselective Cascade Michael-Alkylation Reactions: Synthesis of Chiral Cyclopropanes and Investigation of Unexpected Organocatalyzed Stereoselective Ring Opening of Cyclopropanes","Journal of the American Chemical Society","2007","129","","10886","10894","10.1021/ja073262a","","","0.71073","MoKα","","0.1093","0.0353","","","0.0515","0.062","","","","","","0.742","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109869","6.6841","0.0006","16.1119","0.0016","29.872","0.003","90","","90","","90","","3217","0.5","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 O11 -","- C32 H50 O11 -","- C128 H200 O44 -","4","1","","Amos B. Smith; Dongjoo Lee","Total Synthesis of (+)-Tedanolide","Journal of the American Chemical Society","2007","129","","10957","10962","10.1021/ja073329u","","","0.71073","MoKα","","0.1126","0.065","","","0.142","0.1779","","","","","","1.062","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109870","9.2216","0.0001","11.5343","0.0002","19.5329","0.0003","86.908","0.001","78.177","0.001","76.05","0.001","1973.54","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","[NPN]*ZrTMS","","","- C42 H49 N2 P Si Zr -","- C42 H49 N2 P Si Zr -","- C84 H98 N4 P2 Si2 Zr2 -","2","1","","Erin A. MacLachlan; Fiona M. Hess; Brian O. Patrick; Michael D. Fryzuk","New Side-On Bound Dinitrogen Complexes of Zirconium Supported by an Arene-Bridged Diamidophosphine Ligand and Their Reactivity with Dihydrogen","Journal of the American Chemical Society","2007","129","","10895","10905","10.1021/ja073753v","","","0.71073","MoKα","","0.0492","0.0349","","","0.0916","0.0973","","","","","","1.109","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109871","19.6395","0.0007","19.7497","0.0008","27.0757","0.0012","90","","91.79","0.001","90","","10496.8","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{[NPN]*Zr(Py)}2(N2)","","","- C86 H88 N8 P2 Zr2 -","- C86 H88 N8 P2 Zr2 -","- C344 H352 N32 P8 Zr8 -","4","1","","Erin A. MacLachlan; Fiona M. Hess; Brian O. Patrick; Michael D. Fryzuk","New Side-On Bound Dinitrogen Complexes of Zirconium Supported by an Arene-Bridged Diamidophosphine Ligand and Their Reactivity with Dihydrogen","Journal of the American Chemical Society","2007","129","","10895","10905","10.1021/ja073753v","","","0.71073","MoKα","","0.0791","0.0561","","","0.1497","0.163","","","","","","1.02","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109872","23.7417","0.0008","15.2378","0.0005","23.7851","0.0008","90","","98.896","0.002","90","","8501.3","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","{[NPN]*Zr}(N2){[NPN]*Zr(PMe2Ph)}","","","- C84 H88 N6 P3 Zr2 -","- C84 H88 N6 P3 Zr2 -","- C336 H352 N24 P12 Zr8 -","4","1","","Erin A. MacLachlan; Fiona M. Hess; Brian O. Patrick; Michael D. Fryzuk","New Side-On Bound Dinitrogen Complexes of Zirconium Supported by an Arene-Bridged Diamidophosphine Ligand and Their Reactivity with Dihydrogen","Journal of the American Chemical Society","2007","129","","10895","10905","10.1021/ja073753v","","","0.71073","MoKα","","0.0615","0.0396","","","0.0966","0.1045","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109873","11.752","0.004","20.105","0.007","25.035","0.009","97.411","0.007","94.372","0.006","97.689","0.007","5787","4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H98 Si14 -","- C38 H98 Si14 -","- C152 H392 Si56 -","4","2","","Kei Uchiyama; Selvarajan Nagendran; Shintaro Ishida; Takeaki Iwamoto; Mitsuo Kira","Thermal and Photochemical Cleavage of SiSi Double Bond in Tetrasila-1,3-diene","Journal of the American Chemical Society","2007","129","","10638","10639","10.1021/ja0741473","","","0.7107","MoKα","","0.1123","0.0905","","","0.1703","0.1814","","","","","","1.219","","","","has coordinates,has disorder","178844","2020-10-21","18:00:00",""
"4109874","17.045","0.003","16.461","0.003","12.918","0.002","90","","91.207","0.002","90","","3623.7","1.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H58 Si9 -","- C22 H58 Si9 -","- C88 H232 Si36 -","4","1","","Kei Uchiyama; Selvarajan Nagendran; Shintaro Ishida; Takeaki Iwamoto; Mitsuo Kira","Thermal and Photochemical Cleavage of SiSi Double Bond in Tetrasila-1,3-diene","Journal of the American Chemical Society","2007","129","","10638","10639","10.1021/ja0741473","","","0.71073","MoKα","","0.0253","0.0225","","","0.0623","0.0654","","","","","","1.052","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109875","16.7121","0.0006","18.3146","0.0006","22.235","0.0007","90","","110.742","0.002","90","","6364.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C106 H21 Dy O4 P -","- C106 H21 Dy O4 P -","- C424 H84 Dy4 O16 P4 -","4","1","","Xiaofang Li; Louzhen Fan; Dongfang Liu; Herman H. Y. Sung; Ian D. Williams; Shihe Yang; Kai Tan; Xin Lu","Synthesis of a Dy@C82 Derivative Bearing a Single Phosphorus Substituent via a Zwitterion Approach","Journal of the American Chemical Society","2007","129","","10636","10637","10.1021/ja074321n","","","0.71073","MoKα","","0.1039","0.0754","","","0.1854","0.2022","","","","","","0.965","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109876","6.894","0.0009","6.886","0.0009","17.7229","0.0016","90","","90","","90","","841.34","0.17","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- Ce N2 O8 P2 -","- Ce N2 O8 P2 -","- Ce4 N8 O32 P8 -","4","0.25","","Miguel A. Salvadó; Pilar Pertierra; Camino Trobajo; José R. García","Crystal Structure of a Cerium(IV) Bis(phosphate) Derivative","Journal of the American Chemical Society","2007","129","","10970","10971","10.1021/ja0710297","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.15538","","2.26","","","","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109877","28.594","0.004","31.866","0.004","38.241","0.005","90","","90","","90","","34844","8","173","2","173","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- Au H54 K15 O95 P2 W18 -","- Au K9 O91.5 P2 W18 -","- Au16 K144 O1464 P32 W288 -","16","0.5","","Rui Cao; Travis M. Anderson; Paula M. B. Piccoli; Arthur J. Schultz; Thomas F. Koetzle; Yurii V. Geletii; Elena Slonkina; Britt Hedman; Keith O. Hodgson; Kenneth I. Hardcastle; Xikui Fang; Martin L. Kirk; Sushilla Knottenbelt; Paul Kögerler; Djamaladdin G. Musaev; Keiji Morokuma; Masashi Takahashi; Craig L. Hill","Terminal Gold-Oxo Complexes","Journal of the American Chemical Society","2007","129","","11118","11133","10.1021/ja072456n","","","0.71073","MoKα","","0.0628","0.054","","","0.2293","0.241","","","","","","1.048","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109878","16.173","0.0009","16.173","0.0009","19.7659","0.0015","90","","90","","120","","4477.4","0.5","173","2","173","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- Au1.05 H62 K7.5 O101 P2 W19.95 -","- Au1.05 K7.5 O85.5 P2 W19.95 -","- Au2.1 K15 O171 P4 W39.9 -","2","0.0833333","","Rui Cao; Travis M. Anderson; Paula M. B. Piccoli; Arthur J. Schultz; Thomas F. Koetzle; Yurii V. Geletii; Elena Slonkina; Britt Hedman; Keith O. Hodgson; Kenneth I. Hardcastle; Xikui Fang; Martin L. Kirk; Sushilla Knottenbelt; Paul Kögerler; Djamaladdin G. Musaev; Keiji Morokuma; Masashi Takahashi; Craig L. Hill","Terminal Gold-Oxo Complexes","Journal of the American Chemical Society","2007","129","","11118","11133","10.1021/ja072456n","","","0.71073","MoKα","","0.0639","0.0634","","","0.2677","0.2683","","","","","","1.248","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109879","25.956","0.002","19.0818","0.0015","33.801","0.003","90","","90","","90","","16741","2","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- H65.5 K18.5 O172.75 P4 W40 -","- K18.5 O172.75 P4 W40 -","- K74 O691 P16 W160 -","4","1","","Rui Cao; Travis M. Anderson; Paula M. B. Piccoli; Arthur J. Schultz; Thomas F. Koetzle; Yurii V. Geletii; Elena Slonkina; Britt Hedman; Keith O. Hodgson; Kenneth I. Hardcastle; Xikui Fang; Martin L. Kirk; Sushilla Knottenbelt; Paul Kögerler; Djamaladdin G. Musaev; Keiji Morokuma; Masashi Takahashi; Craig L. Hill","Terminal Gold-Oxo Complexes","Journal of the American Chemical Society","2007","129","","11118","11133","10.1021/ja072456n","","","0.71073","MoKα","","0.0542","0.0483","","","0.1172","0.1209","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109880","28.605","0.005","31.857","0.005","38.273","0.006","90","","90","","90","","34877","10","96","2","96","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- Au H57 K9 O93.5 P2 W18 -","- Au K9 O93.5 P2 W18 -","- Au16 K144 O1496 P32 W288 -","16","0.5","","Rui Cao; Travis M. Anderson; Paula M. B. Piccoli; Arthur J. Schultz; Thomas F. Koetzle; Yurii V. Geletii; Elena Slonkina; Britt Hedman; Keith O. Hodgson; Kenneth I. Hardcastle; Xikui Fang; Martin L. Kirk; Sushilla Knottenbelt; Paul Kögerler; Djamaladdin G. Musaev; Keiji Morokuma; Masashi Takahashi; Craig L. Hill","Terminal Gold-Oxo Complexes","Journal of the American Chemical Society","2007","129","","11118","11133","10.1021/ja072456n","","","0.71073","MoKα","","0.093","0.0552","","","0.1234","0.1309","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109881","28.721","0.018","31.61","0.04","39.159","0.014","90","","90","","90","","35551","5","30","","30","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- Au0.88 H20 K12.5 O80 P2 W18 -","- Au0.88 H20 K12.5 O80 P2 W18 -","- Au14.08 H320 K200 O1280 P32 W288 -","16","0.5","","Rui Cao; Travis M. Anderson; Paula M. B. Piccoli; Arthur J. Schultz; Thomas F. Koetzle; Yurii V. Geletii; Elena Slonkina; Britt Hedman; Keith O. Hodgson; Kenneth I. Hardcastle; Xikui Fang; Martin L. Kirk; Sushilla Knottenbelt; Paul Kögerler; Djamaladdin G. Musaev; Keiji Morokuma; Masashi Takahashi; Craig L. Hill","Terminal Gold-Oxo Complexes","Journal of the American Chemical Society","2007","129","","11118","11133","10.1021/ja072456n","powder diffraction","neutron","","neutron,whitebeam","","0.193","0.186","","","","0.104","","","2.99","","","2.99","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4109882","12.3545","0.0011","26.745","0.002","10.6674","0.0009","90","","97.018","0.002","90","","3498.3","0.5","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 La N7 O11 -","- C36 H30 La N7 O11 -","- C144 H120 La4 N28 O44 -","4","1","","Michael Seitz; Allen G. Oliver; Kenneth N. Raymond","The Lanthanide Contraction Revisited","Journal of the American Chemical Society","2007","129","","11153","11160","10.1021/ja072750f","","","0.71073","MoKα","","0.0897","0.061","","","0.1474","0.1598","","","","","","1.05","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109883","12.3482","0.0014","26.594","0.003","10.6089","0.0012","90","","96.581","0.002","90","","3460.9","0.7","157","2","157","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N7 O11 Pr -","- C36 H30 N7 O11 Pr -","- C144 H120 N28 O44 Pr4 -","4","1","","Michael Seitz; Allen G. Oliver; Kenneth N. Raymond","The Lanthanide Contraction Revisited","Journal of the American Chemical Society","2007","129","","11153","11160","10.1021/ja072750f","","","0.71073","MoKα","","0.086","0.0507","","","0.1086","0.1194","","","","","","1.035","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109884","12.355","0.005","26.521","0.005","10.605","0.005","90","0.005","96.512","0.005","90","0.005","3452","2","156","2","156","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N7 Nd O11 -","- C36 H30 N7 Nd O11 -","- C144 H120 N28 Nd4 O44 -","4","1","","Michael Seitz; Allen G. Oliver; Kenneth N. Raymond","The Lanthanide Contraction Revisited","Journal of the American Chemical Society","2007","129","","11153","11160","10.1021/ja072750f","","","0.71073","MoKα","","0.0951","0.053","","","0.113","0.1264","","","","","","1.03","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109885","12.38","0.003","26.314","0.005","10.612","0.002","90","","96.47","0.004","90","","3435","1.2","158","2","158","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Eu N7 O11 -","- C36 H30 Eu N7 O11 -","- C144 H120 Eu4 N28 O44 -","4","1","","Michael Seitz; Allen G. Oliver; Kenneth N. Raymond","The Lanthanide Contraction Revisited","Journal of the American Chemical Society","2007","129","","11153","11160","10.1021/ja072750f","","","0.71073","MoKα","","0.112","0.0584","","","0.1183","0.1345","","","","","","1.008","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109886","12.359","0.0018","26.307","0.004","10.5933","0.0015","90","","96.343","0.003","90","","3423.1","0.9","164","2","164","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Gd N7 O11 -","- C36 H30 Gd N7 O11 -","- C144 H120 Gd4 N28 O44 -","4","1","","Michael Seitz; Allen G. Oliver; Kenneth N. Raymond","The Lanthanide Contraction Revisited","Journal of the American Chemical Society","2007","129","","11153","11160","10.1021/ja072750f","","","0.71073","MoKα","","0.1054","0.0564","","","0.1138","0.1285","","","","","","1.003","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109887","12.3216","0.0014","26.295","0.003","10.5618","0.0012","90","","96.335","0.002","90","","3401.1","0.7","159","2","159","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N7 O11 Tb -","- C36 H30 N7 O11 Tb -","- C144 H120 N28 O44 Tb4 -","4","1","","Michael Seitz; Allen G. Oliver; Kenneth N. Raymond","The Lanthanide Contraction Revisited","Journal of the American Chemical Society","2007","129","","11153","11160","10.1021/ja072750f","","","0.71073","MoKα","","0.0849","0.0517","","","0.1189","0.1299","","","","","","1.024","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109888","12.3472","0.0015","26.188","0.003","10.5624","0.0012","90","","96.22","0.002","90","","3395.2","0.7","162","2","162","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Dy N7 O11 -","- C36 H30 Dy N7 O11 -","- C144 H120 Dy4 N28 O44 -","4","1","","Michael Seitz; Allen G. Oliver; Kenneth N. Raymond","The Lanthanide Contraction Revisited","Journal of the American Chemical Society","2007","129","","11153","11160","10.1021/ja072750f","","","0.71073","MoKα","","0.0725","0.0456","","","0.1027","0.1121","","","","","","1.037","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109889","12.345","0.002","26.153","0.004","10.5557","0.0017","90","","96.306","0.003","90","","3387.4","0.9","161","2","161","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Ho N7 O11 -","- C36 H30 Ho N7 O11 -","- C144 H120 Ho4 N28 O44 -","4","1","","Michael Seitz; Allen G. Oliver; Kenneth N. Raymond","The Lanthanide Contraction Revisited","Journal of the American Chemical Society","2007","129","","11153","11160","10.1021/ja072750f","","","0.71073","MoKα","","0.1045","0.0551","","","0.1079","0.1219","","","","","","1.013","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109890","12.3589","0.0018","26.132","0.004","10.5565","0.0015","90","","96.277","0.002","90","","3388.9","0.9","165","2","165","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Er N7 O11 -","- C36 H30 Er N7 O11 -","- C144 H120 Er4 N28 O44 -","4","1","","Michael Seitz; Allen G. Oliver; Kenneth N. Raymond","The Lanthanide Contraction Revisited","Journal of the American Chemical Society","2007","129","","11153","11160","10.1021/ja072750f","","","0.71073","MoKα","","0.0976","0.0489","","","0.0986","0.1118","","","","","","0.993","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109891","12.392","0.0013","26.162","0.003","10.5522","0.0012","90","","96.357","0.003","90","","3400","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N7 O11 Tm -","- C36 H30 N7 O11 Tm -","- C144 H120 N28 O44 Tm4 -","4","1","","Michael Seitz; Allen G. Oliver; Kenneth N. Raymond","The Lanthanide Contraction Revisited","Journal of the American Chemical Society","2007","129","","11153","11160","10.1021/ja072750f","","","0.7749","synchrotron","","0.0597","0.0474","","","0.1107","0.1149","","","","","","1.096","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109892","12.336","0.005","26.006","0.01","10.546","0.004","90","","96.443","0.005","90","","3362","2","158","2","158","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N7 O11 Yb -","- C36 H30 N7 O11 Yb -","- C144 H120 N28 O44 Yb4 -","4","1","","Michael Seitz; Allen G. Oliver; Kenneth N. Raymond","The Lanthanide Contraction Revisited","Journal of the American Chemical Society","2007","129","","11153","11160","10.1021/ja072750f","","","0.71073","MoKα","","0.1432","0.0594","","","0.1059","0.1312","","","","","","0.964","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109893","12.417","0.002","26.193","0.004","10.5619","0.0017","90","","96.436","0.004","90","","3413.5","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Lu N7 O11 -","- C36 H30 Lu N7 O11 -","- C144 H120 Lu4 N28 O44 -","4","1","","Michael Seitz; Allen G. Oliver; Kenneth N. Raymond","The Lanthanide Contraction Revisited","Journal of the American Chemical Society","2007","129","","11153","11160","10.1021/ja072750f","","","0.7749","synchrotron","","0.034","0.0313","","","0.0804","0.082","","","","","","1.097","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109894","12.264","0.009","14.08","0.002","8.444","0.001","101.07","0.008","88.617","0.006","108.563","0.009","1355.4","1","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C56 H72 O18 -","- C56 H68 O18 -","- C56 H68 O18 -","1","1","","Bruno Botta; Ilaria D'Acquarica; Giuliano Delle Monache; Laura Nevola; Danila Tullo; Franco Ugozzoli; Marco Pierini","Nitrosonium Complexes of Resorc[4]arenes: Spectral, Kinetic, and Theoretical Studies","Journal of the American Chemical Society","2007","129","","11202","11212","10.1021/ja072855i","","","1.54178","CuKα","","0.1976","0.0795","","","0.2006","0.2526","","","","","","0.821","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109895","7.9203","0.0002","12.4358","0.0006","13.6015","0.0006","90","","90","","90","","1339.68","0.09","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 S -","- C14 H18 O3 S -","- C56 H72 O12 S4 -","4","1","","Mohammad N. Noshi; Ahmad El-Awa; Eduardo Torres; Philip L. Fuchs","Conversion of Cyclic Vinyl Sulfones to Transposed Vinyl Phosphonates","Journal of the American Chemical Society","2007","129","","11242","11247","10.1021/ja072890p","","","0.71073","Mo-Kα","","0.035","0.031","","","0.076","0.078","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109896","9.9976","0.0006","8.4008","0.0003","10.7974","0.0006","90","","108.986","0.003","90","","857.52","0.08","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H23 O5 P S -","- C16 H23 O5 P S -","- C32 H46 O10 P2 S2 -","2","1","","Mohammad N. Noshi; Ahmad El-Awa; Eduardo Torres; Philip L. Fuchs","Conversion of Cyclic Vinyl Sulfones to Transposed Vinyl Phosphonates","Journal of the American Chemical Society","2007","129","","11242","11247","10.1021/ja072890p","","","0.71073","Mo-Kα","","0.047","0.039","","","0.091","0.096","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109897","3.9046","0.0001","3.9046","0.0001","34.4682","0.0013","90","","90","","90","","525.5","0.03","293","2","293","2","","","","","","","synthesis as described","5","I 4/m m m","-I 4 2","139","","Strontium manganese copper oxide sulfide","","- Cu2 Mn2.94 O7.42 S2 Sr4 -","- Cu2 Mn2.936 O7.424 S2 Sr4 -","- Cu4 Mn5.872 O14.848 S4 Sr8 -","2","0.0625","","Geoffrey Hyett; Nicolas Barrier; Simon J. Clarke; Joke Hadermann","Topotactic Oxidative and Reductive Control of the Structures and Properties of Layered Manganese Oxychalcogenides","Journal of the American Chemical Society","2007","129","","11192","11201","10.1021/ja073048m","","x-ray","0.71073","MoKα","","0.049","0.0312","","","0.074","0.0814","","","","","","1.05","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109898","20.5755","0.0008","20.5755","0.0008","13.6392","0.001","90","","90","","90","","5774.2","0.5","240","2","240","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C31.5 H30 N3 O3 -","- C31 H28 N3 O2.5 -","- C248 H224 N24 O20 -","8","1","","Joseph P. Leonard; Paul Jensen; Thomas McCabe; John E. O'Brien; Robert D. Peacock; Paul E. Kruger; Thorfinnur Gunnlaugsson","Self-Assembly of Chiral Luminescent Lanthanide Coordination Bundles","Journal of the American Chemical Society","2007","129","","10986","10987","10.1021/ja073049e","","","0.71073","MoKα","","0.0589","0.0451","","","0.1104","0.1176","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109899","20.423","0.002","20.423","0.002","13.688","0.003","90","","90","","90","","5709.3","1.5","173","2","173","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C32 H32 N3 O3.5 -","- C31 H28 N3 O2.5 -","- C248 H224 N24 O20 -","8","1","","Joseph P. Leonard; Paul Jensen; Thomas McCabe; John E. O'Brien; Robert D. Peacock; Paul E. Kruger; Thorfinnur Gunnlaugsson","Self-Assembly of Chiral Luminescent Lanthanide Coordination Bundles","Journal of the American Chemical Society","2007","129","","10986","10987","10.1021/ja073049e","","","0.71073","MoKα","","0.0617","0.046","","","0.0948","0.1006","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109900","22.9408","0.0007","22.9408","0.0007","12.998","0.0008","90","","90","","120","","5924.1","0.4","298","2","298","2","","","","","","","","7","P 63 2 2","P 6c 2c","182","","","","- C108.5 H131 F9 N9 O27.5 S3 Tb -","- C96 H81 F9 N9 O15 S3 Tb -","- C192 H162 F18 N18 O30 S6 Tb2 -","2","0.166667","","Joseph P. Leonard; Paul Jensen; Thomas McCabe; John E. O'Brien; Robert D. Peacock; Paul E. Kruger; Thorfinnur Gunnlaugsson","Self-Assembly of Chiral Luminescent Lanthanide Coordination Bundles","Journal of the American Chemical Society","2007","129","","10986","10987","10.1021/ja073049e","","","0.71073","MoKα","","0.0354","0.0339","","","0.0847","0.0855","","","","","","1.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109901","22.944","0.001","22.944","0.001","13.002","0.001","90","","90","","120","","5927.6","0.6","298","2","298","2","","","","","","","","7","P 63 2 2","P 6c 2c","182","","","","- C108.5 H131 Eu F9 N9 O27.5 S3 -","- C96 H81 Eu F9 N9 O15 S3 -","- C192 H162 Eu2 F18 N18 O30 S6 -","2","0.166667","","Joseph P. Leonard; Paul Jensen; Thomas McCabe; John E. O'Brien; Robert D. Peacock; Paul E. Kruger; Thorfinnur Gunnlaugsson","Self-Assembly of Chiral Luminescent Lanthanide Coordination Bundles","Journal of the American Chemical Society","2007","129","","10986","10987","10.1021/ja073049e","","","0.71073","MoKα","","0.0346","0.0332","","","0.0857","0.0865","","","","","","1.129","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109902","22.8459","0.0006","22.8459","0.0006","12.8911","0.0004","90","","90","","120","","5826.9","0.3","153","2","153","2","","","","","","","","7","P 63 2 2","P 6c 2c","182","","","","- C109.5 H135 F9 N9 O28.5 S3 Sm -","- C96 H81 F9 N9 O15 S3 Sm -","- C192 H162 F18 N18 O30 S6 Sm2 -","2","0.166667","","Joseph P. Leonard; Paul Jensen; Thomas McCabe; John E. O'Brien; Robert D. Peacock; Paul E. Kruger; Thorfinnur Gunnlaugsson","Self-Assembly of Chiral Luminescent Lanthanide Coordination Bundles","Journal of the American Chemical Society","2007","129","","10986","10987","10.1021/ja073049e","","","0.71073","MoKα","","0.0576","0.0551","","","0.1363","0.1382","","","","","","1.188","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109903","23.098","0.002","23.098","0.002","12.99","0.002","90","","90","","120","","6001.9","1.2","298","2","298","2","","","","","","","","7","P 63 2 2","P 6c 2c","182","","","","- C96 H81 F9 N9 Nd O15 S3 -","- C96 H81 F9 N9 Nd O15 S3 -","- C192 H162 F18 N18 Nd2 O30 S6 -","2","0.166667","","Joseph P. Leonard; Paul Jensen; Thomas McCabe; John E. O'Brien; Robert D. Peacock; Paul E. Kruger; Thorfinnur Gunnlaugsson","Self-Assembly of Chiral Luminescent Lanthanide Coordination Bundles","Journal of the American Chemical Society","2007","129","","10986","10987","10.1021/ja073049e","","","0.71073","MoKα","","0.0521","0.0445","","","0.1179","0.1231","","","","","","1.084","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109904","14.404","0.01","31","0.02","31.23","0.02","90","","90","","90","","13945","16","233","2","233","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CB10-diamine diiodide hydrate","","","- C86 H168 I2 N52 O62 -","- C86 H88 I2 N52 O22 -","- C344 H352 I8 N208 O88 -","4","0.5","","Simin Liu; Peter Y. Zavalij; Yiu-Fai Lam; Lyle Isaacs","Refolding Foldamers: Triazene-Arylene Oligomers That Change Shape with Chemical Stimuli","Journal of the American Chemical Society","2007","129","","11232","11241","10.1021/ja073320s","","","0.71073","MoKα","","0.147","0.1282","","","0.2711","0.2809","","","","","","1","","","","has coordinates,has disorder","211408","2020-10-21","18:00:00",""
"4109905","14.1949","0.0006","31.3303","0.0012","31.2811","0.0012","90","","90","","90","","13911.7","1","220","2","220","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CB10","","","- C86 H145 I2 N54 O47.5 -","- C86 H90 I2 N54 O47.5 -","- C344 H360 I8 N216 O190 -","4","0.5","","Simin Liu; Peter Y. Zavalij; Yiu-Fai Lam; Lyle Isaacs","Refolding Foldamers: Triazene-Arylene Oligomers That Change Shape with Chemical Stimuli","Journal of the American Chemical Society","2007","129","","11232","11241","10.1021/ja073320s","","","0.71073","MoKα","","0.0995","0.0792","","","0.1565","0.1625","","","","","","1","","","","has coordinates,has disorder","211408","2020-10-21","18:00:00",""
"4109906","30.756","0.003","14.2653","0.0013","31.74","0.003","90","","90","","90","","13926","2","220","2","220","2","","","","","","","","5","P c a 21","P 2c -2ac","29","CB10 melanime","","","- C90 H189 I2 N52 O71.5 -","- C90 H90 I2 N52 O22 -","- C360 H360 I8 N208 O88 -","4","1","","Simin Liu; Peter Y. Zavalij; Yiu-Fai Lam; Lyle Isaacs","Refolding Foldamers: Triazene-Arylene Oligomers That Change Shape with Chemical Stimuli","Journal of the American Chemical Society","2007","129","","11232","11241","10.1021/ja073320s","","","0.71073","MoKα","","0.0677","0.0532","","","0.119","0.1251","","","","","","1","","","","has coordinates,has disorder","211408","2020-10-21","18:00:00",""
"4109907","17.524","0.002","12.6638","0.0015","34.84","0.004","90","","90.641","0.002","90","","7731.2","1.6","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2CB7<L>I2.30H2O","","","- C114 H178 I2 N68 O62 -","- C114 H118 I1.7362 N68 O32 -","- C228 H236 I3.4724 N136 O64 -","2","0.5","","Simin Liu; Peter Y. Zavalij; Yiu-Fai Lam; Lyle Isaacs","Refolding Foldamers: Triazene-Arylene Oligomers That Change Shape with Chemical Stimuli","Journal of the American Chemical Society","2007","129","","11232","11241","10.1021/ja073320s","","","0.71073","MoKα","","0.0709","0.048","","","0.0919","0.0981","","","","","","1","","","","has coordinates,has disorder","211408","2020-10-21","18:00:00",""
"4109908","5.5649","0.0011","14.526","0.003","27.408","0.006","90","","90","","90","","2215.5","0.8","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 Br N2 O2 -","- C28 H25 Br N2 O2 -","- C112 H100 Br4 N8 O8 -","4","1","","Bryan J. Cowen; Scott J. Miller","Enantioselective [3 + 2]-Cycloadditions Catalyzed by a Protected, Multifunctional Phosphine-Containing α-Amino Acid","Journal of the American Chemical Society","2007","129","","10988","10989","10.1021/ja0734243","","","0.71073","MoKα","","0.1273","0.0612","","","0.106","0.1294","","","","","","1.013","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109909","11.361","0.005","12.645","0.006","14.775","0.007","90","","90","","90","","2122.6","1.7","223.1","","","","","","","","","","","4","P c c m","-P 2 2c","49","","","","- C40 H22 N10 Zn -","- C40 H22 N10 Zn -","- C80 H44 N20 Zn2 -","2","0.25","","Satoru Shimomura; Satoshi Horike; Ryotaro Matsuda; Susumu Kitagawa","Guest-Specific Function of a Flexible Undulating Channel in a 7,7,8,8-Tetracyano-p-quinodimethane Dimer-Based Porous Coordination Polymer","Journal of the American Chemical Society","2007","129","","10990","10991","10.1021/ja073505z","","","0.7107","MoKα","","","0.0586","","","","0.0591","","","","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109910","18.813","0.003","17.134","0.003","22.355","0.004","90","","104.37","0.07","90","","6981","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Fmoc-(Aib)2-TOAC-(Aib)2-TOAC-Aib-OMe 2,2,2-trifuoroethanol disolvate","","- C60 H89 F6 N9 O14 -","- C60 H89 F6 N9 O14 -","- C240 H356 F24 N36 O56 -","4","1","","Silvia Carlotto; Paola Cimino; Mirco Zerbetto; Lorenzo Franco; Carlo Corvaja; Marco Crisma; Fernando Formaggio; Claudio Toniolo; Antonino Polimeno; Vincenzo Barone","Unraveling Solvent-Driven Equilibria between α- and 310-Helices through an Integrated Spin Labeling and Computational Approach","Journal of the American Chemical Society","2007","129","","11248","11258","10.1021/ja073516s","","","1.54178","CuKα","","0.1142","0.089","","","0.2441","0.2672","","","","","","1.14","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109911","8.3953","0.0012","9.4464","0.0014","12.695","0.0018","91.388","0.003","102.358","0.003","114.027","0.002","891.2","0.2","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H30 Al2 -","- C15 H30 Al2 -","- C30 H60 Al4 -","2","1","","Werner Uhl; Andrej Vinogradov; Stefan Grimme","C-H Bond Activation by Hyperconjugation with Al-C Bonds and by Chelating Coordination of the Hydride Ion","Journal of the American Chemical Society","2007","129","","11259","11264","10.1021/ja073657u","","","0.71073","MoKα","","0.0814","0.0612","","","0.1479","0.1592","","","","","","1.062","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109912","9.3371","0.001","11.4499","0.0012","11.7615","0.0012","78.416","0.002","85.403","0.002","89.98","0.002","1227.7","0.2","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H42 Al4 -","- C18 H42 Al4 -","- C36 H84 Al8 -","2","1","","Werner Uhl; Andrej Vinogradov; Stefan Grimme","C-H Bond Activation by Hyperconjugation with Al-C Bonds and by Chelating Coordination of the Hydride Ion","Journal of the American Chemical Society","2007","129","","11259","11264","10.1021/ja073657u","","","0.71073","MoKα","","0.082","0.0575","","","0.138","0.1514","","","","","","1.008","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109913","12.452","0.002","16.517","0.003","18.408","0.003","90","","90","","90","","3786","1.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H59 B F4 O2 Os P2 -","- C34 H59 B F4 O2 Os P2 -","- C136 H236 B4 F16 O8 Os4 P8 -","4","1","","María L. Buil; Miguel A. Esteruelas; Karin Garcés; Montserrat Oliván; Enrique Oñate","Understanding the Formation of N-H Tautomers from α-Substituted Pyridines: Tautomerization of 2-Ethylpyridine Promoted by Osmium","Journal of the American Chemical Society","2007","129","","10998","10999","10.1021/ja073673r","","","0.71073","MoKα","","0.0843","0.065","","","0.1179","0.1246","","","","","","1.059","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109914","23.589","0.002","20.399","0.002","19.951","0.002","90","","125.574","0.002","90","","7808.5","1.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H62 B F4 N O Os P2 -","- C38 H62 B F4 N O Os P2 -","- C304 H496 B8 F32 N8 O8 Os8 P16 -","8","1","","María L. Buil; Miguel A. Esteruelas; Karin Garcés; Montserrat Oliván; Enrique Oñate","Understanding the Formation of N-H Tautomers from α-Substituted Pyridines: Tautomerization of 2-Ethylpyridine Promoted by Osmium","Journal of the American Chemical Society","2007","129","","10998","10999","10.1021/ja073673r","","","0.71073","MoKα","","0.0688","0.0396","","","0.07","0.0756","","","","","","0.82","","","","has coordinates,has disorder","178845","2020-10-21","18:00:00",""
"4109915","14.752","0.002","12.051","0.002","29.708","0.005","90","","95.005","0.003","90","","5261.2","1.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H78 B N3 Os P2 -","- C53 H78 B N3 Os P2 -","- C212 H312 B4 N12 Os4 P8 -","4","1","","María L. Buil; Miguel A. Esteruelas; Karin Garcés; Montserrat Oliván; Enrique Oñate","Understanding the Formation of N-H Tautomers from α-Substituted Pyridines: Tautomerization of 2-Ethylpyridine Promoted by Osmium","Journal of the American Chemical Society","2007","129","","10998","10999","10.1021/ja073673r","","","0.71073","MoKα","","0.0804","0.0575","","","0.1096","0.1166","","","","","","1.183","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109916","12.015","0.004","20.5","0.006","14.826","0.005","90","","99.001","0.005","90","","3607","2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33 H56 B F4 N O Os P2 -","- C33 H56 B F4 N O Os P2 -","- C132 H224 B4 F16 N4 O4 Os4 P8 -","4","1","","María L. Buil; Miguel A. Esteruelas; Karin Garcés; Montserrat Oliván; Enrique Oñate","Understanding the Formation of N-H Tautomers from α-Substituted Pyridines: Tautomerization of 2-Ethylpyridine Promoted by Osmium","Journal of the American Chemical Society","2007","129","","10998","10999","10.1021/ja073673r","","","0.71073","MoKα","","0.0618","0.033","","","0.0529","0.0571","","","","","","0.774","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109917","16.871","0.003","17.435","0.003","17.808","0.003","69.54","0.02","68.67","0.02","69.36","0.02","4416.5","1.5","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C29.5 H37.5 B Cl7.5 N7 O4 P W -","- C29.5 H37.5 B Cl7.5 N7 O4 P W -","- C118 H150 B4 Cl30 N28 O16 P4 W4 -","4","2","","Michael A. Todd; Michal Sabat; William H. Myers; W. Dean Harman","[2+2] Cycloaddition Reactions with a Tungsten-Stabilized 2H-Phenol","Journal of the American Chemical Society","2007","129","","11010","11011","10.1021/ja0739279","","","0.71073","MoKα","","0.1166","0.0726","","","0.2031","0.2272","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109918","10.1058","0.0004","13.1552","0.0006","13.5335","0.0005","90","","93.511","0.0011","90","","1795.82","0.13","153","2","153","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C37 H56 N2 O2 Ru2 -","- C37 H36 N2 O2 Ru2 -","- C74 H72 N4 O4 Ru4 -","2","0.5","","Takashi Kawashima; Toshiro Takao; Hiroharu Suzuki","Dehydrogenative Coupling of 4-Substituted Pyridines Catalyzed by Diruthenium Complexes","Journal of the American Chemical Society","2007","129","","11006","11007","10.1021/ja074224u","","","0.71069","MoKα","","0.0652","0.0501","","","0.1251","0.1386","","","","","","1.111","","","","has coordinates,has disorder","178845","2020-10-21","18:00:00",""
"4109919","9.0276","0.0006","9.6462","0.0005","18.1425","0.0009","96.3139","0.0015","94.4097","0.0018","103.372","0.0019","1519.16","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H45 N2 P Ru2 -","- C32 H45 N2 P Ru2 -","- C64 H90 N4 P2 Ru4 -","2","1","","Takashi Kawashima; Toshiro Takao; Hiroharu Suzuki","Dehydrogenative Coupling of 4-Substituted Pyridines Catalyzed by Diruthenium Complexes","Journal of the American Chemical Society","2007","129","","11006","11007","10.1021/ja074224u","","","0.71069","MoKα","","0.0478","0.0347","","","0.0743","0.08","","","","","","1.033","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109920","8.68","0.0006","25.0903","0.0015","11.0863","0.0007","90","","101.55","0.004","90","","2365.5","0.3","153","2","153","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C24 H48 N18 O21 Ru3 Yb2 -","- C24 H22 N18 O21 Ru3 Yb2 -","- C48 H44 N36 O42 Ru6 Yb4 -","2","0.5","","Juan-Manuel Herrera; Simon J. A. Pope; Anthony J. H. M. Meijer; Timothy L. Easun; Harry Adams; Wassim Z. Alsindi; Xue-Zhong Sun; Michael W. George; Stephen Faulkner; Michael D. Ward","Photophysical and Structural Properties of Cyanoruthenate Complexes of Hexaazatriphenylene","Journal of the American Chemical Society","2007","129","","11491","11504","10.1021/ja072672w","","","0.71073","MoKα","","0.0715","0.0487","","","0.1167","0.1416","","","","","","1.176","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4109921","9.862","0.003","16.668","0.005","13.171","0.004","90","","107.354","0.005","90","","2066.5","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N10 Na2 O4 Ru -","- C16 H14 N10 Na2 O4 Ru -","- C64 H56 N40 Na8 O16 Ru4 -","4","1","","Juan-Manuel Herrera; Simon J. A. Pope; Anthony J. H. M. Meijer; Timothy L. Easun; Harry Adams; Wassim Z. Alsindi; Xue-Zhong Sun; Michael W. George; Stephen Faulkner; Michael D. Ward","Photophysical and Structural Properties of Cyanoruthenate Complexes of Hexaazatriphenylene","Journal of the American Chemical Society","2007","129","","11491","11504","10.1021/ja072672w","","","0.71073","MoKα","","0.0464","0.0317","","","0.0697","0.0753","","","","","","1.076","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109922","33.824","0.006","13.26","0.002","19.672","0.004","90","","124.627","0.003","90","","7260","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H70 Eu2 N30 O26 Ru3 -","- C48 H38 Eu2 N30 O26 Ru3 -","- C192 H152 Eu8 N120 O104 Ru12 -","4","0.5","","Juan-Manuel Herrera; Simon J. A. Pope; Anthony J. H. M. Meijer; Timothy L. Easun; Harry Adams; Wassim Z. Alsindi; Xue-Zhong Sun; Michael W. George; Stephen Faulkner; Michael D. Ward","Photophysical and Structural Properties of Cyanoruthenate Complexes of Hexaazatriphenylene","Journal of the American Chemical Society","2007","129","","11491","11504","10.1021/ja072672w","","","0.71073","MoKα","","0.1142","0.0706","","","0.171","0.1934","","","","","","1.035","","","","has coordinates,has disorder","178845","2020-10-21","18:00:00",""
"4109923","33.057","0.01","13.055","0.004","19.39","0.006","90","","124.669","0.004","90","","6882","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H60 N30 O21 Ru3 Sm2 -","- C48 H38 N30 O21 Ru3 Sm2 -","- C192 H152 N120 O84 Ru12 Sm8 -","4","0.5","","Juan-Manuel Herrera; Simon J. A. Pope; Anthony J. H. M. Meijer; Timothy L. Easun; Harry Adams; Wassim Z. Alsindi; Xue-Zhong Sun; Michael W. George; Stephen Faulkner; Michael D. Ward","Photophysical and Structural Properties of Cyanoruthenate Complexes of Hexaazatriphenylene","Journal of the American Chemical Society","2007","129","","11491","11504","10.1021/ja072672w","","","0.71073","MoKα","","0.1232","0.0746","","","0.1733","0.2188","","","","","","1.048","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109924","33.778","0.014","13.233","0.006","19.647","0.008","90","","124.616","0.006","90","","7227","5","423","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H70 Gd2 N30 O26 Ru3 -","- C48 H38 Gd2 N30 O26 Ru3 -","- C192 H152 Gd8 N120 O104 Ru12 -","4","0.5","","Juan-Manuel Herrera; Simon J. A. Pope; Anthony J. H. M. Meijer; Timothy L. Easun; Harry Adams; Wassim Z. Alsindi; Xue-Zhong Sun; Michael W. George; Stephen Faulkner; Michael D. Ward","Photophysical and Structural Properties of Cyanoruthenate Complexes of Hexaazatriphenylene","Journal of the American Chemical Society","2007","129","","11491","11504","10.1021/ja072672w","","","0.71073","MoKα","","0.0593","0.0546","","","0.147","0.1499","","","","","","1.066","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109925","33.916","0.007","13.304","0.003","19.723","0.004","90","","124.7","0.03","90","","7317","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H74 N30 Nd2 O28 Ru3 -","- C48 H38 N30 Nd2 O28 Ru3 -","- C192 H152 N120 Nd8 O112 Ru12 -","4","0.5","","Juan-Manuel Herrera; Simon J. A. Pope; Anthony J. H. M. Meijer; Timothy L. Easun; Harry Adams; Wassim Z. Alsindi; Xue-Zhong Sun; Michael W. George; Stephen Faulkner; Michael D. Ward","Photophysical and Structural Properties of Cyanoruthenate Complexes of Hexaazatriphenylene","Journal of the American Chemical Society","2007","129","","11491","11504","10.1021/ja072672w","","","0.71073","MoKα","","0.0973","0.0561","","","0.1264","0.1462","","","","","","1.029","","","","has coordinates,has disorder","178845","2020-10-21","18:00:00",""
"4109926","10.68","0.002","14.001","0.003","14.272","0.003","76.75","0.03","79.5","0.03","76.25","0.03","1999.3","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H37 N14 O27.5 Ru Yb2 -","- C16 H24 N14 O27.5 Ru Yb2 -","- C32 H48 N28 O55 Ru2 Yb4 -","2","1","","Juan-Manuel Herrera; Simon J. A. Pope; Anthony J. H. M. Meijer; Timothy L. Easun; Harry Adams; Wassim Z. Alsindi; Xue-Zhong Sun; Michael W. George; Stephen Faulkner; Michael D. Ward","Photophysical and Structural Properties of Cyanoruthenate Complexes of Hexaazatriphenylene","Journal of the American Chemical Society","2007","129","","11491","11504","10.1021/ja072672w","","","0.71073","MoKα","","0.0347","0.0292","","","0.0726","0.0757","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109927","11.4801","0.0005","15.8855","0.0006","22.8864","0.001","97.127","0.002","100.46","0.002","103.133","0.002","3937","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H152 N58 O70 Ru8 Yb6 -","- C80 H72 N58 O70 Ru8 Yb6 -","- C80 H72 N58 O70 Ru8 Yb6 -","1","0.5","","Juan-Manuel Herrera; Simon J. A. Pope; Anthony J. H. M. Meijer; Timothy L. Easun; Harry Adams; Wassim Z. Alsindi; Xue-Zhong Sun; Michael W. George; Stephen Faulkner; Michael D. Ward","Photophysical and Structural Properties of Cyanoruthenate Complexes of Hexaazatriphenylene","Journal of the American Chemical Society","2007","129","","11491","11504","10.1021/ja072672w","","","0.71073","MoKα","","0.0776","0.0584","","","0.159","0.1729","","","","","","1","","","","has coordinates,has disorder","178845","2020-10-21","18:00:00",""
"4109928","12.31","0.003","14.197","0.003","16.002","0.003","91.1","0.005","107.63","0.005","98.136","0.005","2632.7","1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C78 H10 F30 -","- C78 H10 F30 -","- C156 H20 F60 -","2","1","","Alexey A. Popov; Ivan E. Kareev; Natalia B. Shustova; Evgeny B. Stukalin; Sergey F. Lebedkin; Konrad Seppelt; Steven H. Strauss; Olga V. Boltalina; Lothar Dunsch","Electrochemical, Spectroscopic, and DFT Study of C60(CF3)n Frontier Orbitals (n= 2-18): The Link between Double Bonds in Pentagons and Reduction Potentials","Journal of the American Chemical Society","2007","129","","11551","11568","10.1021/ja073181e","","","0.71073","MoKα","","0.0833","0.0494","","","0.118","0.138","","","","","","1.014","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109929","24.367","0.002","8.1958","0.0007","30.325","0.003","90","","90","","90","","6056.1","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H32 O4 -","- C40 H32 O4 -","- C320 H256 O32 -","8","1","","Xuefeng Jiang; Shengming Ma","trans-RhCl(CO)(PPh3)2-Catalyzed Monomeric and Dimeric Cycloisomerization of Propargylic 2,3-Dienoates. Establishment of α,β-Unsaturated δ-Lactone Rings by Cyclometallation","Journal of the American Chemical Society","2007","129","","11600","11607","10.1021/ja073582u","","","0.71073","MoKα","","0.0999","0.0506","","","0.1099","0.1265","","","","","","0.85","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109930","11.4483","0.0013","30.37","0.003","8.4474","0.001","90","","98.854","0.003","90","","2902","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 O4 -","- C40 H32 O4 -","- C160 H128 O16 -","4","1","","Xuefeng Jiang; Shengming Ma","trans-RhCl(CO)(PPh3)2-Catalyzed Monomeric and Dimeric Cycloisomerization of Propargylic 2,3-Dienoates. Establishment of α,β-Unsaturated δ-Lactone Rings by Cyclometallation","Journal of the American Chemical Society","2007","129","","11600","11607","10.1021/ja073582u","","","0.71073","MoKα","","0.2057","0.0854","","","0.1591","0.2011","","","","","","0.908","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109931","8.6809","0.0014","15.504","0.002","21.838","0.003","93.347","0.004","92.725","0.004","94.441","0.003","2921.3","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H36 O4 -","- C34 H32 O4 -","- C136 H128 O16 -","4","2","","Xuefeng Jiang; Shengming Ma","trans-RhCl(CO)(PPh3)2-Catalyzed Monomeric and Dimeric Cycloisomerization of Propargylic 2,3-Dienoates. Establishment of α,β-Unsaturated δ-Lactone Rings by Cyclometallation","Journal of the American Chemical Society","2007","129","","11600","11607","10.1021/ja073582u","","","0.71073","MoKα","","0.2184","0.09","","","0.2104","0.2722","","","","","","0.867","","","","has coordinates,has disorder","178845","2020-10-21","18:00:00",""
"4109932","28.98","0.008","9.097","0.002","21.175","0.005","90","","90","","90","","5582","2","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C34 H36 O4 -","- C34 H36 O4 -","- C272 H288 O32 -","8","2","","Xuefeng Jiang; Shengming Ma","trans-RhCl(CO)(PPh3)2-Catalyzed Monomeric and Dimeric Cycloisomerization of Propargylic 2,3-Dienoates. Establishment of α,β-Unsaturated δ-Lactone Rings by Cyclometallation","Journal of the American Chemical Society","2007","129","","11600","11607","10.1021/ja073582u","","","0.71073","MoKα","","0.1616","0.0765","","","0.1711","0.2112","","","","","","0.803","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109933","6.0205","0.0007","16.6705","0.0018","17.5656","0.0019","90","","90","","90","","1763","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","1","","Xuefeng Jiang; Shengming Ma","trans-RhCl(CO)(PPh3)2-Catalyzed Monomeric and Dimeric Cycloisomerization of Propargylic 2,3-Dienoates. Establishment of α,β-Unsaturated δ-Lactone Rings by Cyclometallation","Journal of the American Chemical Society","2007","129","","11600","11607","10.1021/ja073582u","","","0.71073","MoKα","","0.0629","0.0592","","","0.1473","0.15","","","","","","1.152","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109934","15.432","0.002","14.14","0.002","8.4535","0.0012","90","","102.317","0.003","90","","1802.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Br O3 -","- C20 H21 Br O3 -","- C80 H84 Br4 O12 -","4","1","","Xuefeng Jiang; Shengming Ma","trans-RhCl(CO)(PPh3)2-Catalyzed Monomeric and Dimeric Cycloisomerization of Propargylic 2,3-Dienoates. Establishment of α,β-Unsaturated δ-Lactone Rings by Cyclometallation","Journal of the American Chemical Society","2007","129","","11600","11607","10.1021/ja073582u","","","0.71073","MoKα","","0.1034","0.0581","","","0.1345","0.1637","","","","","","0.823","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109935","15.946","0.006","27.927","0.011","9.417","0.004","90","","90","","90","","4194","3","193","2","193","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H26 Br2 N2 Ni -","- C20 H26 Br2 N2 Ni -","- C160 H208 Br16 N16 Ni8 -","8","2","","David A. Evans; Shizue Mito; Daniel Seidel","Scope and Mechanism of Enantioselective Michael Additions of 1,3-Dicarbonyl Compounds to Nitroalkenes Catalyzed by Nickel(II)-Diamine Complexes","Journal of the American Chemical Society","2007","129","","11583","11592","10.1021/ja0735913","","","0.71073","MoKα","","0.0406","0.0309","","","0.0584","0.0615","","","","","","0.987","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109936","7.706","0.005","19.351","0.012","10.746","0.007","90","","102.946","0.01","90","","1561.7","1.7","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H39 Br3 N2 Ni O4 -","- C27 H39 Br3 N2 Ni O4 -","- C54 H78 Br6 N4 Ni2 O8 -","2","1","","David A. Evans; Shizue Mito; Daniel Seidel","Scope and Mechanism of Enantioselective Michael Additions of 1,3-Dicarbonyl Compounds to Nitroalkenes Catalyzed by Nickel(II)-Diamine Complexes","Journal of the American Chemical Society","2007","129","","11583","11592","10.1021/ja0735913","","","0.71073","MoKα","","0.0622","0.0563","","","0.1495","0.1531","","","","","","1.114","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109937","10.9883","0.00003","13.2389","0.0003","18.4296","0.0005","92.625","0.002","99.99","0.002","97.269","0.002","2612.83","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Dichloro[bis(3,5-bis(3',4',5'-trimethoxyphenyl)pyrazole-1-yl)methane]zinc(II)","","- C46 H54 Cl8 N4 O12 Zn -","- C46 H54 Cl8 N4 O12 Zn -","- C92 H108 Cl16 N8 O24 Zn2 -","2","1","","Emma Cavero; Santiago Uriel; Pilar Romero; José Luis Serrano; Raquel Giménez","Tetrahedral Zinc Complexes with Liquid Crystalline and Luminescent Properties: Interplay Between Nonconventional Molecular Shapes and Supramolecular Mesomorphic Order","Journal of the American Chemical Society","2007","129","","11608","11618","10.1021/ja073639c","","","0.71073","MoKα","","0.0456","0.0305","","","0.0724","0.076","","","","","","0.989","","","","has coordinates,has disorder","178845","2020-10-21","18:00:00",""
"4109938","10.8967","0.0004","14.546","0.0007","16.0768","0.0009","80.091","0.004","69.48","0.004","74.809","0.004","2294.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Dichlorobis(3,5-bis(3,4,5-trimethoxyphenyl)-1H-pyrazole)zinc(II)","","- C43 H50 Cl4 N4 O12 Zn -","- C43 H50 Cl4 N4 O12 Zn -","- C86 H100 Cl8 N8 O24 Zn2 -","2","1","","Emma Cavero; Santiago Uriel; Pilar Romero; José Luis Serrano; Raquel Giménez","Tetrahedral Zinc Complexes with Liquid Crystalline and Luminescent Properties: Interplay Between Nonconventional Molecular Shapes and Supramolecular Mesomorphic Order","Journal of the American Chemical Society","2007","129","","11608","11618","10.1021/ja073639c","","","0.71073","MoKα","","0.0918","0.0394","","","0.0756","0.0824","","","","","","0.84","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109939","22.641","0.003","13.976","0.003","17.924","0.003","90","","90","","90","","5671.7","1.7","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H39 N3 O2 Zn -","- C30 H39 N3 O2 Zn -","- C240 H312 N24 O16 Zn8 -","8","2","","Ryan C. Jeske; Angela M. DiCiccio; Geoffrey W. Coates","Alternating Copolymerization of Epoxides and Cyclic Anhydrides: An Improved Route to Aliphatic Polyesters","Journal of the American Chemical Society","2007","129","","11330","11331","10.1021/ja0737568","","","0.71073","MoKα","","0.0596","0.0489","","","0.1193","0.1247","","","","","","1.028","","","","has coordinates,has disorder","178845","2020-10-21","18:00:00",""
"4109940","22.3215","0.0013","17.8938","0.0011","17.856","0.001","90","","105.162","0.001","90","","6883.7","0.7","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C32 H43 N3 O2 Zn -","- C32 H43 N3 O2 Zn -","- C256 H344 N24 O16 Zn8 -","8","1","","Ryan C. Jeske; Angela M. DiCiccio; Geoffrey W. Coates","Alternating Copolymerization of Epoxides and Cyclic Anhydrides: An Improved Route to Aliphatic Polyesters","Journal of the American Chemical Society","2007","129","","11330","11331","10.1021/ja0737568","","","0.71073","MoKα","","0.081","0.0525","","","0.1238","0.137","","","","","","1.095","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109941","11.8724","0.0016","14.0342","0.0017","15.446","0.002","77.49","0.002","70.893","0.003","73.312","0.003","2307.9","0.5","","","","","","","","","","","","8","P -1","-P 1","2","","","","- C37 H59 Cu2 F6 N6 O11 P S2 -","- C37 H59 Cu2 F6 N6 O11 P S2 -","- C74 H118 Cu4 F12 N12 O22 P2 S4 -","2","1","","Zhong-Lin Lu; C. Tony Liu; Alexei A. Neverov; R. Stan Brown","Rapid Three-Step Cleavage of RNA and DNA Model Systems Promoted by a Dinuclear Cu(II) Complex in Methanol. Energetic Origins of the Catalytic Efficacy","Journal of the American Chemical Society","2007","129","","11642","11652","10.1021/ja073780l","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109942","17.647","0.004","14.23","0.003","16.367","0.004","90","","96.196","0.005","90","","4086","1.6","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C27 H54 Cu2 F9 N6 O13 S3 -","- C23.5 H50 Cu2 F9.06 N6 O10.5 S2.5 -","- C94 H200 Cu8 F36.24 N24 O42 S10 -","4","0.5","","Zhong-Lin Lu; C. Tony Liu; Alexei A. Neverov; R. Stan Brown","Rapid Three-Step Cleavage of RNA and DNA Model Systems Promoted by a Dinuclear Cu(II) Complex in Methanol. Energetic Origins of the Catalytic Efficacy","Journal of the American Chemical Society","2007","129","","11642","11652","10.1021/ja073780l","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109943","32.8615","0.0008","32.8615","0.0008","32.8615","0.0008","90","","90","","90","","35486.4","1.5","100","2","100","2","","","","","","","","6","I m -3","-I 2 2 3","204","Platinum/Palladium Carbonyl Phosphine cluster","","","- C450 H336 O78 P20 Pd157.2 Pt7.8 -","- C468 O84 P20 Pd157.16 Pt7.84 -","- C936 O168 P40 Pd314.32 Pt15.68 -","2","0.0416667","","Evgueni G. Mednikov; Matthew C. Jewell; Lawrence F. Dahl","Nanosized (μ12-Pt)Pd164-xPtx(CO)72(PPh3)20 (x ~ 7) Containing Pt-Centered Four-Shell 165-Atom Pd-Pt Core with Unprecedented Intershell Bridging Carbonyl Ligands: Comparative Analysis of Icosahedral Shell-Growth Patterns with Geometrically Related Pd145(CO)x(PEt3)30 (x ~ 60) Containing Capped Three-Shell Pd145 Core","Journal of the American Chemical Society","2007","129","","11619","11630","10.1021/ja073945q","","","0.71073","MoKα","","0.1671","0.1112","","","0.3026","0.3553","","","","","","1.374","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109944","16.1046","0.001","20.927","0.0013","22.4266","0.0012","116.022","0.004","99.677","0.004","99.965","0.004","6430.3","0.7","293","2","183","2","","","","","","","","4","P -1","-P 1","2","ND05","","","- C113.5 H121 N16 O34 -","- C115.44 H121 N16 O31 -","- C230.88 H242 N32 O62 -","2","1","","Nicolas Delsuc; Frédéric Godde; Brice Kauffmann; Jean-Michel Léger; Ivan Huc","The Herringbone Helix: A Noncanonical Folding in Aromatic-Aliphatic Peptides","Journal of the American Chemical Society","2007","129","","11348","11349","10.1021/ja074285s","","","1.5418","CuKα","","0.1211","0.0946","","","0.3067","0.3243","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109945","15.2156","0.0013","17.4112","0.0015","18.4238","0.0016","68.587","0.001","88.406","0.001","71.424","0.001","4285.5","0.6","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H2 Au2 Br8 Cl11 F30 N6 -","- C73 H2 Au2 Br8 Cl11 F30 N6 -","- C146 H4 Au4 Br16 Cl22 F60 N12 -","2","1","","Shigeki Mori; Kil Suk Kim; Zin Seok Yoon; Su Bum Noh; Dongho Kim; Atsuhiro Osuka","Peripheral Fabrications of a Bis-Gold(III) Complex of [26]Hexaphyrin(1.1.1.1.1.1) and Aromatic versus Antiaromatic Effect on Two-Photon Absorption Cross Section","Journal of the American Chemical Society","2007","129","","11344","11345","10.1021/ja0744908","","","0.71073","MoKα","","0.0878","0.068","","","0.1948","0.212","","","","","","1.043","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109946","25.078","0.005","33.677","0.006","25.573","0.005","90","","105.052","0.004","90","","20857","7","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C121.5 H56 Au2 Cl F30 N6 O1.5 -","- C121.5 H56 Au2 Cl F30 N6 O1.5 -","- C972 H448 Au16 Cl8 F240 N48 O12 -","8","1","","Shigeki Mori; Kil Suk Kim; Zin Seok Yoon; Su Bum Noh; Dongho Kim; Atsuhiro Osuka","Peripheral Fabrications of a Bis-Gold(III) Complex of [26]Hexaphyrin(1.1.1.1.1.1) and Aromatic versus Antiaromatic Effect on Two-Photon Absorption Cross Section","Journal of the American Chemical Society","2007","129","","11344","11345","10.1021/ja0744908","","","0.71073","MoKα","","0.1604","0.0847","","","0.1948","0.2434","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109947","17.1064","0.0018","18.4071","0.0019","21.029","0.002","109.458","0.002","97.07","0.002","104.393","0.002","5891.8","1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C137 H48 Au2 F30 N6 -","- C137 H48 Au2 F30 N6 -","- C274 H96 Au4 F60 N12 -","2","1","","Shigeki Mori; Kil Suk Kim; Zin Seok Yoon; Su Bum Noh; Dongho Kim; Atsuhiro Osuka","Peripheral Fabrications of a Bis-Gold(III) Complex of [26]Hexaphyrin(1.1.1.1.1.1) and Aromatic versus Antiaromatic Effect on Two-Photon Absorption Cross Section","Journal of the American Chemical Society","2007","129","","11344","11345","10.1021/ja0744908","","","0.71073","MoKα","","0.1102","0.0655","","","0.1889","0.2176","","","","","","1.079","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109948","7.9387","0.0002","9.9181","0.0002","10.4955","0.0002","93.249","0.001","107.568","0.001","94.082","0.001","783.18","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C38 H46 N2 O4 -","2","1","","Guozhu Zhang; Vincent J. Catalano; Liming Zhang","PtCl2-Catalyzed Rapid Access to Tetracyclic 2,3-Indoline-Fused Cyclopentenes: Reactivity Divergent from Cationic Au(I) Catalysis and Synthetic Potential","Journal of the American Chemical Society","2007","129","","11358","11359","10.1021/ja074536x","","","0.71073","MoKα","","0.0469","0.0442","","","0.1233","0.1256","","","","","","1.087","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109949","13.8869","0.0004","8.9296","0.0004","26.3746","0.0008","90","","90","","90","","3270.6","0.2","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H52 O3 Si4 W -","- C27 H52 O3 Si4 W -","- C108 H208 O12 Si16 W4 -","4","1","","Takahito Watanabe; Hisako Hashimoto; Hiromi Tobita","Reactions of Hydrido(hydrosilylene)tungsten Complexes with α,β-Unsaturated Carbonyl Compounds: Selective Formation of (η3-Siloxyallyl)tungsten Complexes","Journal of the American Chemical Society","2007","129","","11338","11339","10.1021/ja074629e","","","0.71073","MoKα","","0.0374","0.0313","","","0.0781","0.0851","","","","","","1.286","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109950","8.2146","0.0004","31.6002","0.0011","14.2624","0.0003","90","","89.5622","0.0018","90","","3702.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H56 O3 Si4 W -","- C33 H56 O3 Si4 W -","- C132 H224 O12 Si16 W4 -","4","1","","Takahito Watanabe; Hisako Hashimoto; Hiromi Tobita","Reactions of Hydrido(hydrosilylene)tungsten Complexes with α,β-Unsaturated Carbonyl Compounds: Selective Formation of (η3-Siloxyallyl)tungsten Complexes","Journal of the American Chemical Society","2007","129","","11338","11339","10.1021/ja074629e","","","0.71073","MoKα","","0.0469","0.0404","","","0.0988","0.1052","","","","","","1.35","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109951","8.8185","0.0005","25.7459","0.0008","14.5946","0.0007","90","","96.0911","0.0014","90","","3294.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H52 O4 Si4 W -","- C27 H52 O4 Si4 W -","- C108 H208 O16 Si16 W4 -","4","1","","Takahito Watanabe; Hisako Hashimoto; Hiromi Tobita","Reactions of Hydrido(hydrosilylene)tungsten Complexes with α,β-Unsaturated Carbonyl Compounds: Selective Formation of (η3-Siloxyallyl)tungsten Complexes","Journal of the American Chemical Society","2007","129","","11338","11339","10.1021/ja074629e","","","0.71073","MoKα","","0.0575","0.0505","","","0.1292","0.1375","","","","","","1.247","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109952","12.0791","0.001","13.6712","0.0012","28.205","0.002","90","","98.959","0.002","90","","4600.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56.5 H58 N2 O3 Ru -","- C56.5 H58 N2 O3 Ru -","- C226 H232 N8 O12 Ru4 -","4","1","","Charles P. Casey; Timothy B. Clark; Ilia A. Guzei","Intramolecular Trapping of an Intermediate in the Reduction of Imines by a Hydroxycyclopentadienyl Ruthenium Hydride: Support for a Concerted Outer Sphere Mechanism","Journal of the American Chemical Society","2007","129","","11821","11827","10.1021/ja073370x","","","0.71073","Mo-Kα","","0.0887","0.0486","","","0.1112","0.1414","","","","","","1.058","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4109953","9.898","0.002","10.507","0.002","21.638","0.004","80.245","0.003","87.922","0.004","81.829","0.003","2195.1","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H98 Cl8 N2 O6 Ru2 -","- C88 H78 Cl4 N2 O6 Ru2 -","- C88 H78 Cl4 N2 O6 Ru2 -","1","0.5","","Charles P. Casey; Timothy B. Clark; Ilia A. Guzei","Intramolecular Trapping of an Intermediate in the Reduction of Imines by a Hydroxycyclopentadienyl Ruthenium Hydride: Support for a Concerted Outer Sphere Mechanism","Journal of the American Chemical Society","2007","129","","11821","11827","10.1021/ja073370x","","","0.71073","Mo-Kα","","0.044","0.0353","","","0.0844","0.0882","","","","","","0.84","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109954","14.752","0.003","14.752","0.003","32.249","0.008","90","","90","","90","","7018","3","120","2","120","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C80 H96 N6 Ni O12 -","- C80 H96 N6 Ni O12 -","- C320 H384 N24 Ni4 O48 -","4","0.5","","Zhenzhen Dong; Glenn P. A. Yap; Joseph M. Fox","trans-Cyclohexane-1,2-diamine Is a Weak Director of Absolute Helicity in Chiral Nickel-Salen Complexes","Journal of the American Chemical Society","2007","129","","11850","11853","10.1021/ja073900p","","","0.71073","MoKα","","0.0542","0.0475","","","0.1138","0.118","","","","","","1.057","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109955","14.797","0.004","14.844","0.004","32.462","0.008","90","","90","","90","","7130","3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C80 H97 N6 Ni O12 -","- C80 H97 N6 Ni O12 -","- C320 H388 N24 Ni4 O48 -","4","1","","Zhenzhen Dong; Glenn P. A. Yap; Joseph M. Fox","trans-Cyclohexane-1,2-diamine Is a Weak Director of Absolute Helicity in Chiral Nickel-Salen Complexes","Journal of the American Chemical Society","2007","129","","11850","11853","10.1021/ja073900p","","","0.71073","MoKα","","0.0695","0.0587","","","0.1485","0.1587","","","","","","1.054","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109956","14.246","0.004","18.017","0.004","17.078","0.004","90","","108.182","0.011","90","","4164.6","1.8","298.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Cl N4 -","- C23 H25 Cl N4 -","- C184 H200 Cl8 N32 -","8","2","","Tamotsu Takahashi; Zhiyi Song; Kimihiko Sato; Yuichi Kuzuba; Kiyohiko Nakajima; Ken-ichiro Kanno","1-Chloro-4,5,6,7-tetraalkyldihydroindene Formation by Reaction of Bis(cyclopentadienyl)titanacyclopentadienes with Titanium Chloride","Journal of the American Chemical Society","2007","129","","11678","11679","10.1021/ja074180p","","","0.71075","MoKα","","","0.0635","","","","0.0913","","","","","","1.223","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109957","24.456","0.005","11.441","0.002","25.36","0.005","90","","110.31","0.03","90","","6655","3","153","2","153","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C68 H92 Cu F12 N4 P2 Ru4 -","- C68 H92 Cu F12 N4 P2 Ru4 -","- C272 H368 Cu4 F48 N16 P8 Ru16 -","4","0.5","","Luciano Cuesta; Dustin Gross; Vincent M. Lynch; Zhongping Ou; Wiroaj Kajonkijya; Kei Ohkubo; Shunichi Fukuzumi; Karl M. Kadish; Jonathan L. Sessler","Design and Synthesis of Polymetallic Complexes Based on meso-Calix[4]pyrrole: Platforms for Multielectron Chemistry","Journal of the American Chemical Society","2007","129","","11696","11697","10.1021/ja075613r","","","0.71073","MoKα","","0.2704","0.1165","","","0.1579","0.1824","","","","","","1.48","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109958","14.0813","0.0012","19.2182","0.0017","24.208","0.002","84.39","0.004","73.528","0.004","83.845","0.004","6230.4","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C146 H181 N5 O6 -","- C146 H181 N5 O6 -","- C292 H362 N10 O12 -","2","1","","Vincent Aucagne; José Berná; James D. Crowley; Stephen M. Goldup; Kevin D. Hänni; David A. Leigh; Paul J. Lusby; Vicki E. Ronaldson; Alexandra M. Z. Slawin; Aurélien Viterisi; D. Barney Walker","Catalytic ""Active-Metal"" Template Synthesis of [2]Rotaxanes, [3]Rotaxanes, and Molecular Shuttles, and Some Observations on the Mechanism of the Cu(I)-Catalyzed Azide-Alkyne 1,3-Cycloaddition","Journal of the American Chemical Society","2007","129","","11950","11963","10.1021/ja073513f","","","1.54178","CuKα","","0.2049","0.1765","","","0.4507","0.4713","","","","","","1.819","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109959","8.9107","0.0008","16.1875","0.0015","23.213","0.002","109.811","0.001","95.603","0.001","90.453","0.001","3132.1","0.5","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C31.5 H39 B F3 N O3 S -","- C31.5 H39 B F3 N O3 S -","- C126 H156 B4 F12 N4 O12 S4 -","4","2","","Todd W. Hudnall; François P. Gabbaï","Ammonium Boranes for the Selective Complexation of Cyanide or Fluoride Ions in Water","Journal of the American Chemical Society","2007","129","","11978","11986","10.1021/ja073793z","","","0.71073","MoKα","","0.1094","0.0526","","","0.1054","0.1172","","","","","","1.024","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4109960","14.061","0.004","12.976","0.003","16.329","0.004","90","","113.423","0.005","90","","2733.8","1.2","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 B F3 N O3 S -","- C28 H35 B F3 N O3 S -","- C112 H140 B4 F12 N4 O12 S4 -","4","1","","Todd W. Hudnall; François P. Gabbaï","Ammonium Boranes for the Selective Complexation of Cyanide or Fluoride Ions in Water","Journal of the American Chemical Society","2007","129","","11978","11986","10.1021/ja073793z","","","0.71073","MoKα","","0.1105","0.0707","","","0.1466","0.1604","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109961","9.3438","0.0017","12.777","0.002","23.658","0.004","90","","99.547","0.002","90","","2785.3","0.8","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H41 B N2 O -","- C31 H41 B N2 O -","- C124 H164 B4 N8 O4 -","4","1","","Todd W. Hudnall; François P. Gabbaï","Ammonium Boranes for the Selective Complexation of Cyanide or Fluoride Ions in Water","Journal of the American Chemical Society","2007","129","","11978","11986","10.1021/ja073793z","","","0.71073","MoKα","","0.0622","0.0497","","","0.1293","0.1364","","","","","","1.002","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4109962","8.4441","0.0011","15.338","0.002","8.825","0.0011","90","","95.774","0.002","90","","1137.2","0.3","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H35 B F N -","- C27 H35 B F N -","- C54 H70 B2 F2 N2 -","2","1","","Todd W. Hudnall; François P. Gabbaï","Ammonium Boranes for the Selective Complexation of Cyanide or Fluoride Ions in Water","Journal of the American Chemical Society","2007","129","","11978","11986","10.1021/ja073793z","","","0.71073","MoKα","","0.0668","0.0535","","","0.1419","0.1485","","","","","","1.004","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4109963","9.1474","0.0008","18.2345","0.0016","12.1173","0.001","90","","111.935","0.004","90","","1874.8","0.3","133","2","133","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C17 H29 N3 Si -","- C17 H29 N3 Si -","- C68 H116 N12 Si4 -","4","2","","Cheuk-Wai So; Herbert W. Roesky; Prabhuodeyara M. Gurubasavaraj; Rainer B. Oswald; Michael T. Gamer; Peter G. Jones; Steffen Blaurock","Synthesis and Structures of Heteroleptic Silylenes","Journal of the American Chemical Society","2007","129","","12049","12054","10.1021/ja074019e","","","0.71073","MoKα","","0.0935","0.0493","","","0.072","0.0798","","","","","","0.881","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109964","9.0623","0.0018","10.209","0.002","12.72","0.003","90","","94.17","0.03","90","","1173.7","0.4","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H37 N2 P Si -","- C21 H37 N2 P Si -","- C42 H74 N4 P2 Si2 -","2","1","","Cheuk-Wai So; Herbert W. Roesky; Prabhuodeyara M. Gurubasavaraj; Rainer B. Oswald; Michael T. Gamer; Peter G. Jones; Steffen Blaurock","Synthesis and Structures of Heteroleptic Silylenes","Journal of the American Chemical Society","2007","129","","12049","12054","10.1021/ja074019e","","","0.71073","MoKα","","0.0322","0.0283","","","0.0671","0.0683","","","","","","0.962","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109965","21.2473","0.0015","8.9149","0.0005","18.8561","0.0014","90","","90.016","0.006","90","","3571.7","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H46 Cl2 N4 Si5 -","- C26 H46 Cl2 N4 Si5 -","- C104 H184 Cl8 N16 Si20 -","4","0.5","","Cheuk-Wai So; Herbert W. Roesky; Prabhuodeyara M. Gurubasavaraj; Rainer B. Oswald; Michael T. Gamer; Peter G. Jones; Steffen Blaurock","Synthesis and Structures of Heteroleptic Silylenes","Journal of the American Chemical Society","2007","129","","12049","12054","10.1021/ja074019e","","","0.71073","MoKα","","0.0433","0.0321","","","0.0812","0.0857","","","","","","1.027","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109966","18.048","0.002","30.881","0.004","28.104","0.004","90","","96.9055","0.0017","90","","15550","3","93.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C198 H186 Cl8 Ir2 N8 O4 -","- C198 H186 Cl8 Ir2 N8 O4 -","- C792 H744 Cl32 Ir8 N32 O16 -","4","0.5","","Makoto Yanagisawa; Kentaro Tashiro; Mikio Yamasaki; Takuzo Aida","Hosting Fullerenes by Dynamic Bond Formation with an Iridium Porphyrin Cyclic Dimer: A ""Chemical Friction"" for Rotary Guest Motions","Journal of the American Chemical Society","2007","129","","11912","11913","10.1021/ja0747526","","","0.7107","MoKα","","","0.0452","","","","0.1184","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109967","12.0083","0.0014","18.205","0.002","15.6133","0.0018","90","","99.049","0.001","90","","3370.8","0.7","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H52 N S U -","- C38 H52 N S U -","- C152 H208 N4 S4 U4 -","4","1","","Christopher R. Graves; Brian L. Scott; David E. Morris; Jaqueline L. Kiplinger","Facile Access to Pentavalent Uranium Organometallics: One-Electron Oxidation of Uranium(IV) Imido Complexes with Copper(I) Salts","Journal of the American Chemical Society","2007","129","","11914","11915","10.1021/ja074889w","","","0.71073","MoKα","","0.0458","0.0316","","","0.083","0.1038","","","","","","1.305","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109968","11.4776","0.0009","13.8658","0.0011","13.1682","0.001","90","","103.987","0.001","90","","2033.5","0.3","141","2","141","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C41 H73 I N U -","- C38 H59 I N U -","- C76 H118 I2 N2 U2 -","2","0.5","","Christopher R. Graves; Brian L. Scott; David E. Morris; Jaqueline L. Kiplinger","Facile Access to Pentavalent Uranium Organometallics: One-Electron Oxidation of Uranium(IV) Imido Complexes with Copper(I) Salts","Journal of the American Chemical Society","2007","129","","11914","11915","10.1021/ja074889w","","","0.71073","MoKα","","0.0462","0.0358","","","0.0857","0.0901","","","","","","0.999","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109969","16.5588","0.0009","18.7054","0.001","19.5958","0.001","90","","90","","90","","6069.6","0.6","141","2","141","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H47 I N U -","- C32 H47 I N U -","- C256 H376 I8 N8 U8 -","8","2","","Christopher R. Graves; Brian L. Scott; David E. Morris; Jaqueline L. Kiplinger","Facile Access to Pentavalent Uranium Organometallics: One-Electron Oxidation of Uranium(IV) Imido Complexes with Copper(I) Salts","Journal of the American Chemical Society","2007","129","","11914","11915","10.1021/ja074889w","","","0.71073","MoKα","","0.049","0.0373","","","0.0662","0.0708","","","","","","1.023","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109970","10.005","0.002","10.514","0.002","17.37","0.004","76.628","0.002","77.703","0.002","68.935","0.002","1641.8","0.6","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C33 H47 F3 N O3 S U -","- C33 H47 F3 N O3 S U -","- C66 H94 F6 N2 O6 S2 U2 -","2","1","","Christopher R. Graves; Brian L. Scott; David E. Morris; Jaqueline L. Kiplinger","Facile Access to Pentavalent Uranium Organometallics: One-Electron Oxidation of Uranium(IV) Imido Complexes with Copper(I) Salts","Journal of the American Chemical Society","2007","129","","11914","11915","10.1021/ja074889w","","","0.71073","MoKα","","0.0594","0.0429","","","0.0955","0.111","","","","","","1.065","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109971","10.726","0.005","5.892","0.002","10.546","0.007","90","","113.55","0.007","90","","611","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(S)-3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid","","- C4 H5 F3 O3 -","- C4 H5 F3 O3 -","- C16 H20 F12 O12 -","4","1","","Vadim A. Soloshonok; Hisanori Ueki; Manabu Yasumoto; Shekar Mekala; Jennifer S. Hirschi; Daniel A. Singleton","Phenomenon of Optical Self-Purification of Chiral Non-Racemic Compounds","Journal of the American Chemical Society","2007","129","","12112","12113","10.1021/ja065603a","","","0.71073","MoKα","","0.0502","0.0463","","","0.12","0.123","","","","","","1.007","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109972","5.8633","0.0018","5.9866","0.0018","9.609","0.003","94.583","0.006","91.888","0.006","116.698","0.006","299.47","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(R/S)-3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid","","- C4 H5 F3 O3 -","- C4 H5 F3 O3 -","- C8 H10 F6 O6 -","2","1","","Vadim A. Soloshonok; Hisanori Ueki; Manabu Yasumoto; Shekar Mekala; Jennifer S. Hirschi; Daniel A. Singleton","Phenomenon of Optical Self-Purification of Chiral Non-Racemic Compounds","Journal of the American Chemical Society","2007","129","","12112","12113","10.1021/ja065603a","","","0.71073","MoKα","","0.0378","0.0343","","","0.0871","0.0898","","","","","","1.006","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109973","24.367","0.005","15.987","0.003","35.379","0.008","90","","91.155","0.004","90","","13779","5","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C98 H222 N6 O38 W10 Zr2 -","- C66 H144 N4 O38 W10 Zr2 -","- C264 H576 N16 O152 W40 Zr8 -","4","0.5","","R. John Errington; Sagar S. Petkar; Paul S. Middleton; William McFarlane; William Clegg; Robert A. Coxall; Ross W. Harrington","Synthesis and Reactivity of the Methoxozirconium Pentatungstate (nBu4N)6[{(μ-MeO)ZrW5O18}2]: Insights into Proton-Transfer Reactions, Solution Dynamics, and Assembly of {ZrW5O18}2- Building Blocks","Journal of the American Chemical Society","2007","129","","12181","12196","10.1021/ja0725495","","","0.69","synchrotron","","0.1051","0.0874","","","0.2574","0.2882","","","","","","1.242","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109974","42.705","0.009","16.063","0.004","24.531","0.01","90","","123.664","0.014","90","","14006","8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C98 H221 N7 O38 W10 Zr2 -","- C98 H216 N7 O38 W10 Zr2 -","- C392 H864 N28 O152 W40 Zr8 -","4","0.5","","R. John Errington; Sagar S. Petkar; Paul S. Middleton; William McFarlane; William Clegg; Robert A. Coxall; Ross W. Harrington","Synthesis and Reactivity of the Methoxozirconium Pentatungstate (nBu4N)6[{(μ-MeO)ZrW5O18}2]: Insights into Proton-Transfer Reactions, Solution Dynamics, and Assembly of {ZrW5O18}2- Building Blocks","Journal of the American Chemical Society","2007","129","","12181","12196","10.1021/ja0725495","","","0.71073","MoKα","","0.0966","0.0543","","","0.1258","0.1622","","","","","","1.119","","","","has coordinates,has disorder","178845","2020-10-21","18:00:00",""
"4109975","17.5165","0.0006","17.6777","0.0006","24.2402","0.0009","74.861","0.002","70.185","0.002","79.242","0.002","6776.6","0.4","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C192 H432 N12 O89 W26 Zr2 -","- C192 H432 N12 O89 W26 Zr2 -","- C192 H432 N12 O89 W26 Zr2 -","1","0.5","","R. John Errington; Sagar S. Petkar; Paul S. Middleton; William McFarlane; William Clegg; Robert A. Coxall; Ross W. Harrington","Synthesis and Reactivity of the Methoxozirconium Pentatungstate (nBu4N)6[{(μ-MeO)ZrW5O18}2]: Insights into Proton-Transfer Reactions, Solution Dynamics, and Assembly of {ZrW5O18}2- Building Blocks","Journal of the American Chemical Society","2007","129","","12181","12196","10.1021/ja0725495","","","0.71073","MoKα","","0.0656","0.0434","","","0.0935","0.1033","","","","","","1.025","","","","has coordinates,has disorder","178845","2020-10-21","18:00:00",""
"4109976","16.2557","0.0007","23.8817","0.0011","18.4678","0.0008","90","","90.018","0.002","90","","7169.5","0.5","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H113 N3 O19 W5 Zr -","- C54 H113 N3 O19 W5 Zr -","- C216 H452 N12 O76 W20 Zr4 -","4","1","","R. John Errington; Sagar S. Petkar; Paul S. Middleton; William McFarlane; William Clegg; Robert A. Coxall; Ross W. Harrington","Synthesis and Reactivity of the Methoxozirconium Pentatungstate (nBu4N)6[{(μ-MeO)ZrW5O18}2]: Insights into Proton-Transfer Reactions, Solution Dynamics, and Assembly of {ZrW5O18}2- Building Blocks","Journal of the American Chemical Society","2007","129","","12181","12196","10.1021/ja0725495","","","0.71073","MoKα","","0.0753","0.0408","","","0.0901","0.1012","","","","","","0.977","","","","has coordinates,has disorder","178845","2020-10-21","18:00:00",""
"4109977","23.8193","0.0011","17.1071","0.0008","17.2814","0.0008","90","","90","","90","","7041.8","0.6","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C55 H115 N3 O19 W5 Zr -","- C55 H115 N3 O19 W5 Zr -","- C220 H460 N12 O76 W20 Zr4 -","4","0.5","","R. John Errington; Sagar S. Petkar; Paul S. Middleton; William McFarlane; William Clegg; Robert A. Coxall; Ross W. Harrington","Synthesis and Reactivity of the Methoxozirconium Pentatungstate (nBu4N)6[{(μ-MeO)ZrW5O18}2]: Insights into Proton-Transfer Reactions, Solution Dynamics, and Assembly of {ZrW5O18}2- Building Blocks","Journal of the American Chemical Society","2007","129","","12181","12196","10.1021/ja0725495","","","0.6934","synchrotron","","0.1098","0.0995","","","0.2147","0.2178","","","","","","1.344","","","","has coordinates,has disorder","178845","2020-10-21","18:00:00",""
"4109978","24.7085","0.0009","36.0065","0.0012","33.1734","0.0011","90","","90","","90","","29513.3","1.8","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C56 H114.5 N3.5 O20 W5 Zr -","- C56 H113 N3.5 O20 W5 Zr -","- C896 H1808 N56 O320 W80 Zr16 -","16","2","","R. John Errington; Sagar S. Petkar; Paul S. Middleton; William McFarlane; William Clegg; Robert A. Coxall; Ross W. Harrington","Synthesis and Reactivity of the Methoxozirconium Pentatungstate (nBu4N)6[{(μ-MeO)ZrW5O18}2]: Insights into Proton-Transfer Reactions, Solution Dynamics, and Assembly of {ZrW5O18}2- Building Blocks","Journal of the American Chemical Society","2007","129","","12181","12196","10.1021/ja0725495","","","0.69","synchrotron","","0.0645","0.0518","","","0.1174","0.127","","","","","","1.275","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109979","16.9153","0.0007","24.9724","0.001","17.949","0.0007","90","","90.054","0.002","90","","7581.9","0.5","160","2","160","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H125 N3 O21 W5 Zr -","- C57 H120 N3 O20.5 W5 Zr -","- C228 H480 N12 O82 W20 Zr4 -","4","2","","R. John Errington; Sagar S. Petkar; Paul S. Middleton; William McFarlane; William Clegg; Robert A. Coxall; Ross W. Harrington","Synthesis and Reactivity of the Methoxozirconium Pentatungstate (nBu4N)6[{(μ-MeO)ZrW5O18}2]: Insights into Proton-Transfer Reactions, Solution Dynamics, and Assembly of {ZrW5O18}2- Building Blocks","Journal of the American Chemical Society","2007","129","","12181","12196","10.1021/ja0725495","","","0.71073","MoKα","","0.0541","0.0351","","","0.0617","0.0677","","","","","","1.017","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109980","15.857","0.003","23.723","0.005","18.663","0.004","90","","90.33","0.03","90","","7020","2","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H111 N3 O20 W5 Zr -","- C51.38 H108 N3.69 O20 W5 Zr -","- C205.52 H432 N14.76 O80 W20 Zr4 -","4","1","","R. John Errington; Sagar S. Petkar; Paul S. Middleton; William McFarlane; William Clegg; Robert A. Coxall; Ross W. Harrington","Synthesis and Reactivity of the Methoxozirconium Pentatungstate (nBu4N)6[{(μ-MeO)ZrW5O18}2]: Insights into Proton-Transfer Reactions, Solution Dynamics, and Assembly of {ZrW5O18}2- Building Blocks","Journal of the American Chemical Society","2007","129","","12181","12196","10.1021/ja0725495","","","0.71073","MoKα","","0.0526","0.0348","","","0.074","0.0847","","","","","","1.059","","","","has coordinates,has disorder","178845","2020-10-21","18:00:00",""
"4109981","66.456","0.006","15.6607","0.0014","32.988","0.003","90","","93.722","0.002","90","","34260","5","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C119 H265.5 N10.5 O56 W15 Zr3 -","- C119 H255 N10.5 O56 W15 Zr3 -","- C952 H2040 N84 O448 W120 Zr24 -","8","2","","R. John Errington; Sagar S. Petkar; Paul S. Middleton; William McFarlane; William Clegg; Robert A. Coxall; Ross W. Harrington","Synthesis and Reactivity of the Methoxozirconium Pentatungstate (nBu4N)6[{(μ-MeO)ZrW5O18}2]: Insights into Proton-Transfer Reactions, Solution Dynamics, and Assembly of {ZrW5O18}2- Building Blocks","Journal of the American Chemical Society","2007","129","","12181","12196","10.1021/ja0725495","","","0.69","synchrotron","","0.0763","0.0519","","","0.1111","0.1223","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109982","23.445","0.001","21.683","0.001","13.647","0.0006","90","","110.28","0.02","90","","6507.5","1","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C61 H64 Br N O16 -","- C61 H64 Br N O16 -","- C244 H256 Br4 N4 O64 -","4","1","","Satyamaheshwar Peddibhotla; Yongjun Dang; Jun O. Liu; Daniel Romo","Simultaneous Arming and Structure/Activity Studies of Natural Products Employing O-H Insertions: An Expedient and Versatile Strategy for Natural Products-Based Chemical Genetics","Journal of the American Chemical Society","2007","129","","12222","12231","10.1021/ja0733686","","","1.54178","CuKα","","0.0605","0.0538","","","0.1435","0.149","","","","","","1.052","","","","has coordinates,has disorder","178845","2020-10-21","18:00:00",""
"4109983","10.6274","0.0003","11.7059","0.0004","15.3407","0.0006","90","","93.78","0.001","90","","1904.28","0.11","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H45 Br N4 O11 -","- C37 H45 Br N4 O11 -","- C74 H90 Br2 N8 O22 -","2","1","","Chi-Ming Cheung; Frederick W. Goldberg; Philip Magnus; Claire J. Russell; Rachel Turnbull; Vince Lynch","An Expedient Formal Total Synthesis of (-)-Diazonamide A via a Powerful, Stereoselective O-Aryl to C-Aryl Migration To Form the C10 Quaternary Center","Journal of the American Chemical Society","2007","129","","12320","12327","10.1021/ja0744448","","","0.71073","MoKα","","0.1407","0.0663","","","0.1099","0.1343","","","","","","1.051","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109984","24.8837","0.0011","16.4642","0.0007","25.8863","0.0011","90","","117.634","0.001","90","","9395.6","0.7","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H30 O9 Ru3 Sn3 -","- C45 H30 O9 Ru3 Sn3 -","- C360 H240 O72 Ru24 Sn24 -","8","2","","Richard D. Adams; Burjor Captain; Michael B. Hall; Eszter Trufan; Xinzheng Yang","Synthesis, Characterization, and Electronic Structures of a Series of Two-Dimensional Trimetallic Cluster Complexes, Ru3(CO)9(μ-SnPh2)3[Pt(PBut3)]x, x = 0-3","Journal of the American Chemical Society","2007","129","","12328","12340","10.1021/ja074527o","","","0.71073","MoKα","","0.1081","0.0485","","","0.0878","0.1124","","","","","","1","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109985","13.7703","0.0004","13.9457","0.0004","19.3885","0.0006","77.485","0.001","85.194","0.001","61.818","0.001","3203.18","0.17","294","2","294","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H59 Cl2 O9 P Pt Ru3 Sn3 -","- C58 H59 Cl2 O9 P Pt Ru3 Sn3 -","- C116 H118 Cl4 O18 P2 Pt2 Ru6 Sn6 -","2","1","","Richard D. Adams; Burjor Captain; Michael B. Hall; Eszter Trufan; Xinzheng Yang","Synthesis, Characterization, and Electronic Structures of a Series of Two-Dimensional Trimetallic Cluster Complexes, Ru3(CO)9(μ-SnPh2)3[Pt(PBut3)]x, x = 0-3","Journal of the American Chemical Society","2007","129","","12328","12340","10.1021/ja074527o","","","0.71073","MoKα","","0.0498","0.0379","","","0.1045","0.1143","","","","","","1.046","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109986","18.326","0.0008","18.6782","0.0008","23.4249","0.001","90","","101.171","0.001","90","","7866.3","0.6","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H91 O9 P2 Pt2 Ru3 Sn3 -","- C72 H91 O9 P2 Pt2 Ru3 Sn3 -","- C288 H364 O36 P8 Pt8 Ru12 Sn12 -","4","1","","Richard D. Adams; Burjor Captain; Michael B. Hall; Eszter Trufan; Xinzheng Yang","Synthesis, Characterization, and Electronic Structures of a Series of Two-Dimensional Trimetallic Cluster Complexes, Ru3(CO)9(μ-SnPh2)3[Pt(PBut3)]x, x = 0-3","Journal of the American Chemical Society","2007","129","","12328","12340","10.1021/ja074527o","","","0.71073","MoKα","","0.088","0.0457","","","0.1006","0.1266","","","","","","1.018","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4109987","18.5176","0.0002","18.5176","0.0002","16.4848","0.0003","90","","90","","120","","4895.35","0.12","273","2","273","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C81 H111 O9 P3 Pt3 Ru3 Sn3 -","- C81 H111 O9 P3 Pt3 Ru3 Sn3 -","- C162 H222 O18 P6 Pt6 Ru6 Sn6 -","2","0.166667","","Richard D. Adams; Burjor Captain; Michael B. Hall; Eszter Trufan; Xinzheng Yang","Synthesis, Characterization, and Electronic Structures of a Series of Two-Dimensional Trimetallic Cluster Complexes, Ru3(CO)9(μ-SnPh2)3[Pt(PBut3)]x, x = 0-3","Journal of the American Chemical Society","2007","129","","12328","12340","10.1021/ja074527o","","","0.71073","MoKα","","0.052","0.0366","","","0.1263","0.1428","","","","","","1.187","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109988","11.261","0.003","7.6685","0.0013","5.8855","0.0012","90","","92.597","0.018","90","","507.72","0.19","298.1","","","","","","","","","","","3","P 1 a 1","P -2ya","7","","","","- C13 H11 N -","- C13 H11 N -","- C26 H22 N2 -","2","1","","Shinji Yamada; Naoko Uematsu; Kaori Yamashita","Role of Cation-π Interactions in the Photodimerization of trans-4-Styrylpyridines","Journal of the American Chemical Society","2007","129","","12100","12101","10.1021/ja074874y","","","1.54178","CuKα","","","0.0434","","","","0.1316","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109989","9.675","0.002","17.749","0.003","7.8416","0.0014","90","","95.659","0.016","90","","1340","0.4","298.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Cl N O2 -","- C13 H16 Cl N O2 -","- C52 H64 Cl4 N4 O8 -","4","1","","Shinji Yamada; Naoko Uematsu; Kaori Yamashita","Role of Cation-π Interactions in the Photodimerization of trans-4-Styrylpyridines","Journal of the American Chemical Society","2007","129","","12100","12101","10.1021/ja074874y","","","1.54178","CuKα","","","0.0474","","","","0.135","","","","","","1.104","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109990","9.9292","0.0011","9.5362","0.0011","11.6631","0.0013","90","","113.75","0.007","90","","1010.8","0.2","296.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C52 H44 N4 -","2","1","","Shinji Yamada; Naoko Uematsu; Kaori Yamashita","Role of Cation-π Interactions in the Photodimerization of trans-4-Styrylpyridines","Journal of the American Chemical Society","2007","129","","12100","12101","10.1021/ja074874y","","","1.54187","CuKα","","","0.0762","","","","0.2389","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109991","14.3478","0.0003","9.3575","0.0002","16.7753","0.0004","90","","90.5394","0.0013","90","","2252.14","0.09","123.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H24 Cl2 N2 -","- C26 H24 Cl2 N2 -","- C104 H96 Cl8 N8 -","4","1","","Shinji Yamada; Naoko Uematsu; Kaori Yamashita","Role of Cation-π Interactions in the Photodimerization of trans-4-Styrylpyridines","Journal of the American Chemical Society","2007","129","","12100","12101","10.1021/ja074874y","","","1.54187","CuKα","","","0.0779","","","","0.2454","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109992","16.1494","0.0003","17.4113","0.0004","17.4162","0.0003","118.072","0.0009","93.396","0.001","103.083","0.0011","4129.83","0.15","298.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N2 -","- C26 H20 N2 -","- C208 H160 N16 -","8","4","","Shinji Yamada; Naoko Uematsu; Kaori Yamashita","Role of Cation-π Interactions in the Photodimerization of trans-4-Styrylpyridines","Journal of the American Chemical Society","2007","129","","12100","12101","10.1021/ja074874y","","","1.54187","CuKα","","","0.0653","","","","0.2577","","","","","","0.895","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109993","20.246","0.0004","7.51826","0.00014","14.7745","0.0003","90","","101.643","0.001","90","","2202.62","0.08","113","","113","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 O7 -","- C28 H26 O7 -","- C112 H104 O28 -","4","0.5","","Ken Tanaka; Akiyoshi Kamisawa; Takeshi Suda; Keiichi Noguchi; Masao Hirano","Rh-Catalyzed Synthesis of Helically Chiral and Ladder-Type Molecules via [2 + 2 + 2] and Formal [2 + 1 + 2 + 1] Cycloadditions Involving C-C Triple Bond Cleavage","Journal of the American Chemical Society","2007","129","","12078","12079","10.1021/ja074914y","","","1.54187","CuKα","","0.0325","0.0304","","","0.0832","0.0848","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109994","41.62","0.04","13.645","0.013","16.763","0.016","90","","99.127","0.018","90","","9399","16","95","","95","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 O6 -","- C32 H22 O6 -","- C512 H352 O96 -","16","2","","Ken Tanaka; Akiyoshi Kamisawa; Takeshi Suda; Keiichi Noguchi; Masao Hirano","Rh-Catalyzed Synthesis of Helically Chiral and Ladder-Type Molecules via [2 + 2 + 2] and Formal [2 + 1 + 2 + 1] Cycloadditions Involving C-C Triple Bond Cleavage","Journal of the American Chemical Society","2007","129","","12078","12079","10.1021/ja074914y","","","1","synchrotron","","0.1144","0.0911","","","0.2404","0.2566","","","","","","0.993","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109995","12.8633","0.0007","11.9036","0.0006","15.9329","0.0008","90","","94.89","0.004","90","","2430.8","0.2","193","","193","","","","","","","","","3","P 1 21 1","P 2yb","4","(M)-(-)-helicene-like-molecule","","","- C32 H22 O6 -","- C32 H22 O6 -","- C128 H88 O24 -","4","2","","Ken Tanaka; Akiyoshi Kamisawa; Takeshi Suda; Keiichi Noguchi; Masao Hirano","Rh-Catalyzed Synthesis of Helically Chiral and Ladder-Type Molecules via [2 + 2 + 2] and Formal [2 + 1 + 2 + 1] Cycloadditions Involving C-C Triple Bond Cleavage","Journal of the American Chemical Society","2007","129","","12078","12079","10.1021/ja074914y","","","1.54187","CuKα","","0.0542","0.04","","","0.0959","0.1059","","","","","","1.062","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109996","22.0418","0.0018","15.4524","0.0013","17.4014","0.0014","90","","90","","90","","5926.9","0.8","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C28 H44 N2 O4 Ti -","- C28 H44 N2 O4 Ti -","- C224 H352 N16 O32 Ti8 -","8","0.5","","Michal Shavit; Dani Peri; Cesar M. Manna; Jacob S. Alexander; Edit Y. Tshuva","Active Cytotoxic Reagents Based on Non-metallocene Non-diketonato Well-Defined C2-Symmetrical Titanium Complexes of Tetradentate Bis(phenolato) Ligands","Journal of the American Chemical Society","2007","129","","12098","12099","10.1021/ja0753086","","","0.71073","MoKα","","0.0346","0.034","","","0.0867","0.0872","","","","","","1.108","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109997","10.0635","0.0006","17.306","0.001","18.661","0.001","90","","90","","90","","3250","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H28 N2 O4 Ti -","- C12 H28 N2 O4 Ti -","- C96 H224 N16 O32 Ti8 -","8","1","","Michal Shavit; Dani Peri; Cesar M. Manna; Jacob S. Alexander; Edit Y. Tshuva","Active Cytotoxic Reagents Based on Non-metallocene Non-diketonato Well-Defined C2-Symmetrical Titanium Complexes of Tetradentate Bis(phenolato) Ligands","Journal of the American Chemical Society","2007","129","","12098","12099","10.1021/ja0753086","","","0.71073","MoKα","","0.0394","0.0382","","","0.0986","0.0996","","","","","","1.13","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109998","13.862","0.005","13.862","0.005","13.784","0.005","90","","90","","120","","2293.8","1.4","173","2","173","2","","","","","","","","6","P -3","-P 3","147","[Ni(tame)2]1(PES)2","bis(1,1,1-tris(aminomethyl)ethane)nickel(II)di(2-phenylethynesulfonate)","","- C26 H39.94 N6 Ni O6 S2 -","- C26 H39.94 N6 Ni O6 S2 -","- C78 H119.82 N18 Ni3 O18 S6 -","3","0.5","","Sean A. Dalrymple; George K. H. Shimizu","Crystal Engineering of a Permanently Porous Network Sustained Exclusively by Charge-Assisted Hydrogen Bonds","Journal of the American Chemical Society","2007","129","","12114","12116","10.1021/ja076094v","","","0.71069","MoKα","","0.0689","0.0398","","","0.0989","0.1127","","","","","","1.045","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109999","7.43","0.002","8.883","0.002","26.604","0.007","90","","90","","90","","1755.9","0.8","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O2 -","- C21 H32 O2 -","- C84 H128 O8 -","4","1","","Arnab Roy; Frank G. Roberts; P. Ross Wilderman; Ke Zhou; Reuben J. Peters; Robert M. Coates","16-Aza-ent-beyerane and 16-Aza-ent-trachylobane: Potent Mechanism-Based Inhibitors of Recombinantent-Kaurene Synthase from Arabidopsis thaliana","Journal of the American Chemical Society","2007","129","","12453","12460","10.1021/ja072447e","","","0.71073","MoKα","","0.059","0.0487","","","0.1307","0.1401","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110000","7.903","0.006","9.454","0.007","11.846","0.009","90","","97.736","0.012","90","","877","1.1","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H31 N -","- C20 H31 N -","- C40 H62 N2 -","2","1","","Arnab Roy; Frank G. Roberts; P. Ross Wilderman; Ke Zhou; Reuben J. Peters; Robert M. Coates","16-Aza-ent-beyerane and 16-Aza-ent-trachylobane: Potent Mechanism-Based Inhibitors of Recombinantent-Kaurene Synthase from Arabidopsis thaliana","Journal of the American Chemical Society","2007","129","","12453","12460","10.1021/ja072447e","","","0.71073","MoKα","","0.0616","0.0462","","","0.1138","0.1241","","","","","","0.911","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110001","10.701","0.005","7.179","0.003","16.525","0.008","90","","104.052","0.007","90","","1231.5","1","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H34 N4 O7 -","- C25 H34 N4 O7 -","- C50 H68 N8 O14 -","2","1","","Arnab Roy; Frank G. Roberts; P. Ross Wilderman; Ke Zhou; Reuben J. Peters; Robert M. Coates","16-Aza-ent-beyerane and 16-Aza-ent-trachylobane: Potent Mechanism-Based Inhibitors of Recombinantent-Kaurene Synthase from Arabidopsis thaliana","Journal of the American Chemical Society","2007","129","","12453","12460","10.1021/ja072447e","","","0.71073","MoKα","","0.0687","0.0443","","","0.1036","0.112","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110002","16.743","0.009","14.723","0.008","14.352","0.008","90","","90","","90","","3538","3","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H30 Cu F6 N4 O9 S2 -","- C26 H30 Cu F6 N4 O9 S2 -","- C104 H120 Cu4 F24 N16 O36 S8 -","4","1","","Atsushi Kondo; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Hiroshi Kajiro; Tomonori Ohba; Hirofumi Kanoh; Katsumi Kaneko","Double-Step Gas Sorption of a Two-Dimensional Metal-Organic Framework","Journal of the American Chemical Society","2007","129","","12362","12363","10.1021/ja073568h","","","0.71073","MoKα","","0.0661","0.0579","","0.1727","0.1652","","","","1.058","","","","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110003","15.319","0.003","16.158","0.003","13.688","0.003","90","","90","","90","","3388.1","1.2","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C88 H64 Cu4 F24 N16 O24 S8 -","4","0.5","","Atsushi Kondo; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Hiroshi Kajiro; Tomonori Ohba; Hirofumi Kanoh; Katsumi Kaneko","Double-Step Gas Sorption of a Two-Dimensional Metal-Organic Framework","Journal of the American Chemical Society","2007","129","","12362","12363","10.1021/ja073568h","","","0.71073","MoKα","","0.0583","0.042","","0.1175","0.1114","","","","1.048","","","","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110004","27.08","0.02","15.096","0.014","16.136","0.015","90","","111.344","0.011","90","","6144","9","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C21.458 H16 Cu F4.374 N4 O6 S2 -","- C171.664 H128 Cu8 F34.992 N32 O48 S16 -","8","1","","Atsushi Kondo; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Hiroshi Kajiro; Tomonori Ohba; Hirofumi Kanoh; Katsumi Kaneko","Double-Step Gas Sorption of a Two-Dimensional Metal-Organic Framework","Journal of the American Chemical Society","2007","129","","12362","12363","10.1021/ja073568h","","","0.71073","MoKα","","0.3117","0.1415","","0.4225","0.3556","","","","0.945","","","","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110005","9.3612","0.0003","12.8616","0.0004","13.8655","0.0005","107.441","0.002","96.022","0.002","95.548","0.002","1569.36","0.09","150","","150","","","","","","","","C. Milios","5","P -1","-P 1","2","","","","- C26 H32 Mn3 N3 O13 -","- C26 H32 Mn3 N3 O13 -","- C52 H64 Mn6 N6 O26 -","2","1","","Constantinos J. Milios; Ross Inglis; Alina Vinslava; Rashmi Bagai; Wolfgang Wernsdorfer; Simon Parsons; Spyros P. Perlepes; George Christou; Euan K. Brechin","Toward a Magnetostructural Correlation for a Family of Mn6SMMs","Journal of the American Chemical Society","2007","129","","12505","12511","10.1021/ja0736616","","","0.71073","MoKα","","0.0527","0.0363","","0.1063","0.091","0.1063","","","","","","0.9648","","","","has coordinates","264242","2021-04-16","08:52:11",""
"4110006","22.6018","0.0004","15.0024","0.0003","29.9529","0.0006","90","","106.89","0.001","90","","9718.4","0.3","150","","150","","","","","","","","C.Milios CM2722","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H108 Mn6 N6 O24 -","- C100 H108 Mn6 N6 O24 -","- C400 H432 Mn24 N24 O96 -","4","0.5","","Constantinos J. Milios; Ross Inglis; Alina Vinslava; Rashmi Bagai; Wolfgang Wernsdorfer; Simon Parsons; Spyros P. Perlepes; George Christou; Euan K. Brechin","Toward a Magnetostructural Correlation for a Family of Mn6SMMs","Journal of the American Chemical Society","2007","129","","12505","12511","10.1021/ja0736616","","","0.71073","MoKα","","0.085","0.0394","","0.0751","0.0419","0.0419","","","","","","1.1007","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110007","13.486","0.003","14.882","0.003","20.822","0.004","82.87","0.03","85.73","0.03","76.51","0.03","4027.7","1.5","150","","150","","","","","","","","C. Milios CM2439","5","P -1","-P 1","2","","","","- C74 H102 Mn6 N6 O23 -","- C74 H102 Mn6 N6 O23 -","- C148 H204 Mn12 N12 O46 -","2","1","","Constantinos J. Milios; Ross Inglis; Alina Vinslava; Rashmi Bagai; Wolfgang Wernsdorfer; Simon Parsons; Spyros P. Perlepes; George Christou; Euan K. Brechin","Toward a Magnetostructural Correlation for a Family of Mn6SMMs","Journal of the American Chemical Society","2007","129","","12505","12511","10.1021/ja0736616","","","0.71073","MoKα","","0.0969","0.0512","","0.0352","0.0282","0.0282","","","","","","1.1073","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110008","21.074","0.01","13.495","0.006","32.383","0.018","90","","106.722","0.007","90","","8820","8","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C88 H90 Mn6 N6 O24 -","- C88 H90 Mn6 N6 O24 -","- C352 H360 Mn24 N24 O96 -","4","0.5","","Constantinos J. Milios; Ross Inglis; Alina Vinslava; Rashmi Bagai; Wolfgang Wernsdorfer; Simon Parsons; Spyros P. Perlepes; George Christou; Euan K. Brechin","Toward a Magnetostructural Correlation for a Family of Mn6SMMs","Journal of the American Chemical Society","2007","129","","12505","12511","10.1021/ja0736616","","","0.71073","MoKα","","0.1188","0.0815","","0.0529","0.0499","0.0499","","","","","","1.0028","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110009","12.5755","0.0005","13.1557","0.0005","15.3021","0.0006","90.254","0.002","92.248","0.002","108.341","0.002","2400.74","0.16","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H56 Mn3 N3 O14 -","- C46 H56 Mn3 N3 O14 -","- C92 H112 Mn6 N6 O28 -","2","1","","Constantinos J. Milios; Ross Inglis; Alina Vinslava; Rashmi Bagai; Wolfgang Wernsdorfer; Simon Parsons; Spyros P. Perlepes; George Christou; Euan K. Brechin","Toward a Magnetostructural Correlation for a Family of Mn6SMMs","Journal of the American Chemical Society","2007","129","","12505","12511","10.1021/ja0736616","","","0.71073","MoKα","","0.0397","0.0313","","0.0849","0.0828","0.0849","","","","","","0.9677","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4110010","12.2619","0.0002","12.4095","0.0003","14.2027","0.0003","98.437","0.001","90.726","0.001","104.693","0.001","2065.03","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H86 Br2 Mn6 N6 O24 -","- C74 H86 Br2 Mn6 N6 O24 -","- C74 H86 Br2 Mn6 N6 O24 -","1","0.5","","Constantinos J. Milios; Ross Inglis; Alina Vinslava; Rashmi Bagai; Wolfgang Wernsdorfer; Simon Parsons; Spyros P. Perlepes; George Christou; Euan K. Brechin","Toward a Magnetostructural Correlation for a Family of Mn6SMMs","Journal of the American Chemical Society","2007","129","","12505","12511","10.1021/ja0736616","","","0.71073","MoKα","","0.068","0.0552","","0.069","0.0646","0.0646","","","","","","1.0983","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110011","12.4947","0.0009","13.2846","0.0009","14.5047","0.0011","71.488","0.004","82.305","0.004","68.687","0.004","2126.4","0.3","150","","150","","","","","","","","C. Milios","5","P -1","-P 1","2","","","","- C40 H52 Mn3 N3 O13 -","- C40 H52 Mn3 N3 O13 -","- C80 H104 Mn6 N6 O26 -","2","1","","Constantinos J. Milios; Ross Inglis; Alina Vinslava; Rashmi Bagai; Wolfgang Wernsdorfer; Simon Parsons; Spyros P. Perlepes; George Christou; Euan K. Brechin","Toward a Magnetostructural Correlation for a Family of Mn6SMMs","Journal of the American Chemical Society","2007","129","","12505","12511","10.1021/ja0736616","","","0.71073","MoKα","","0.0589","0.0339","","0.1033","0.0796","0.1033","","","","","","0.969","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4110012","12.912","0.0002","23.553","0.0004","15.19","0.0003","90","","107.549","0.001","90","","4404.53","0.14","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H108 Mn6 N6 O24 -","- C84 H108 Mn6 N6 O24 -","- C168 H216 Mn12 N12 O48 -","2","0.5","","Constantinos J. Milios; Ross Inglis; Alina Vinslava; Rashmi Bagai; Wolfgang Wernsdorfer; Simon Parsons; Spyros P. Perlepes; George Christou; Euan K. Brechin","Toward a Magnetostructural Correlation for a Family of Mn6SMMs","Journal of the American Chemical Society","2007","129","","12505","12511","10.1021/ja0736616","","x-ray","0.71073","MoKα","","0.0904","0.0414","","0.1425","0.0944","0.1425","","","","","","1.0197","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110013","12.7121","0.0004","13.198","0.0004","15.2785","0.0005","75.593","0.002","78.672","0.002","68.389","0.002","2292.53","0.13","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H120 Mn6 N6 O24 -","- C88 H106 Mn6 N6 O24 -","- C88 H106 Mn6 N6 O24 -","1","0.5","","Constantinos J. Milios; Ross Inglis; Alina Vinslava; Rashmi Bagai; Wolfgang Wernsdorfer; Simon Parsons; Spyros P. Perlepes; George Christou; Euan K. Brechin","Toward a Magnetostructural Correlation for a Family of Mn6SMMs","Journal of the American Chemical Society","2007","129","","12505","12511","10.1021/ja0736616","","","0.71073","MoKα","","0.07","0.0426","","0.0995","0.0923","0.0995","","","","","","0.863","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110014","11.1507","0.0003","13.9643","0.0003","14.3862","0.0003","67.693","0.001","70.479","0.001","75.741","0.001","1934.91","0.08","150","2","150","2","","","","","","","C.Milios reaction CM2680","6","P -1","-P 1","2","","","","- C70 H88 Mn6 N6 O26 S2 -","- C70 H88 Mn6 N6 O26 S2 -","- C70 H88 Mn6 N6 O26 S2 -","1","0.5","","Constantinos J. Milios; Ross Inglis; Alina Vinslava; Rashmi Bagai; Wolfgang Wernsdorfer; Simon Parsons; Spyros P. Perlepes; George Christou; Euan K. Brechin","Toward a Magnetostructural Correlation for a Family of Mn6SMMs","Journal of the American Chemical Society","2007","129","","12505","12511","10.1021/ja0736616","","","0.71073","MoKα","","0.0816","0.0658","","","0.1406","0.1473","","","","","","1.181","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110015","12.6159","0.0003","13.0159","0.0002","14.585","0.0003","105.679","0.001","92.625","0.001","105.169","0.001","2207.95","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H108 Mn6 N6 O26 -","- C82 H108 Mn6 N6 O26 -","- C82 H108 Mn6 N6 O26 -","1","0.5","","Constantinos J. Milios; Ross Inglis; Alina Vinslava; Rashmi Bagai; Wolfgang Wernsdorfer; Simon Parsons; Spyros P. Perlepes; George Christou; Euan K. Brechin","Toward a Magnetostructural Correlation for a Family of Mn6SMMs","Journal of the American Chemical Society","2007","129","","12505","12511","10.1021/ja0736616","","","0.71073","MoKα","","0.0537","0.0366","","0.0892","0.0858","0.0892","","","","","","0.8861","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110016","12.9841","0.0003","13.2178","0.0003","15.9543","0.0004","77.164","0.002","69.377","0.001","64.128","0.001","2298.15","0.1","150","2","150","2","","","","","","","C.Milios CM3229","5","P -1","-P 1","2","","","","- C90 H128 Mn6 N6 O26 -","- C90 H128 Mn6 N6 O26 -","- C90 H128 Mn6 N6 O26 -","1","0.5","","Constantinos J. Milios; Ross Inglis; Alina Vinslava; Rashmi Bagai; Wolfgang Wernsdorfer; Simon Parsons; Spyros P. Perlepes; George Christou; Euan K. Brechin","Toward a Magnetostructural Correlation for a Family of Mn6SMMs","Journal of the American Chemical Society","2007","129","","12505","12511","10.1021/ja0736616","","","0.71073","MoKα","","0.0489","0.0356","","","0.091","0.0949","","","","","","1.053","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4110017","9.509","0.004","12.566","0.006","12.51","0.008","90","","106.781","0.018","90","","1431.2","1.3","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H30 Cl N O5 -","- C33 H30 Cl N O5 -","- C66 H60 Cl2 N2 O10 -","2","1","","Ryo Shintani; Masataka Murakami; Tamio Hayashi","γ-Methylidene-δ-valerolactones as a Coupling Partner for Cycloaddition: Palladium-Catalyzed [4 + 3] Cycloaddition with Nitrones","Journal of the American Chemical Society","2007","129","","12356","12357","10.1021/ja073997f","","","0.71075","MoKα","","","0.052","","","","0.0597","","","","","","0.909","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110018","10.979","0.004","14.52","0.006","14.534","0.006","90","","108.12","0.014","90","","2202","1.5","123.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H23 F3 N2 O3 -","- C24 H23 F3 N2 O3 -","- C96 H92 F12 N8 O12 -","4","1","","Ryo Shintani; Masataka Murakami; Tamio Hayashi","γ-Methylidene-δ-valerolactones as a Coupling Partner for Cycloaddition: Palladium-Catalyzed [4 + 3] Cycloaddition with Nitrones","Journal of the American Chemical Society","2007","129","","12356","12357","10.1021/ja073997f","","","0.71075","MoKα","","","0.068","","","","0.0829","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110019","25.8074","0.0018","25.8074","0.0018","25.8074","0.0018","90","","90","","90","","17188","2","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C0.01 H0 O0.01 Zn0 -","- C0.447552 H0.167832 O0.34965 Zn0.0559441 -","- C256 H96 O200 Zn32 -","572","2.97917","","Zhenqiang Wang; Seth M. Cohen","Postsynthetic Covalent Modification of a Neutral Metal-Organic Framework","Journal of the American Chemical Society","2007","129","","12368","12369","10.1021/ja074366o","","","0.71073","MoKα","","0.1685","0.1173","","","0.3458","0.4259","","","","","","1.648","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110020","15.1323","0.0004","7.9402","0.0002","16.5539","0.0004","90","","116.197","0.001","90","","1784.7","0.08","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 Pt -","- C20 H24 N2 Pt -","- C80 H96 N8 Pt4 -","4","1","","Nathan M. West; Peter S. White; Joseph L. Templeton","Facile Dehydrogenation of Ethers and Alkanes with aβ-Diiminate Pt Fragment","Journal of the American Chemical Society","2007","129","","12372","12373","10.1021/ja074488g","","","0.71073","MoKα","","0.0197","0.0164","","","0.0348","0.0358","","","","","","1.036","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110021","9.335","0.0007","10.3431","0.0007","20.4134","0.0018","99.063","0.001","93.37","0.001","115.353","0.001","1741.2","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N2 O Pt -","- C19 H20 N2 O Pt -","- C76 H80 N8 O4 Pt4 -","4","2","","Nathan M. West; Peter S. White; Joseph L. Templeton","Facile Dehydrogenation of Ethers and Alkanes with aβ-Diiminate Pt Fragment","Journal of the American Chemical Society","2007","129","","12372","12373","10.1021/ja074488g","","","0.71073","MoKα","","0.0449","0.0357","","","0.0873","0.0929","","","","","","1.024","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110022","6.791","0.0007","13.8156","0.0013","8.818","0.0009","90","","95.531","0.002","90","","823.47","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","07153a","","","- C18 H17 Cl N2 O3 -","- C18 H17 Cl N2 O3 -","- C36 H34 Cl2 N4 O6 -","2","1","","Barry M. Trost; Nicolai Cramer; Steven M. Silverman","Enantioselective Construction of Spirocyclic Oxindolic Cyclopentanes by Palladium-Catalyzed Trimethylenemethane-[3+2]-Cycloaddition","Journal of the American Chemical Society","2007","129","","12396","12397","10.1021/ja075335w","","","0.71073","MoKα","","0.0301","0.0283","","","0.0717","0.0731","","","","","","1.046","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110023","5.824","0.0006","12.8616","0.0012","20.943","0.002","90","","90","","90","","1568.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","07159a","","","- C16 H20 Cl N O2 -","- C16 H20 Cl N O2 -","- C64 H80 Cl4 N4 O8 -","4","1","","Barry M. Trost; Steven M. Silverman; James P. Stambuli","Palladium-Catalyzed Asymmetric [3+2] Cycloaddition of Trimethylenemethane with Imines","Journal of the American Chemical Society","2007","129","","12398","12399","10.1021/ja0753389","","","0.71073","MoKα","","0.0414","0.0335","","","0.0729","0.0765","","","","","","1.061","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110024","22.6391","0.0005","10.4105","0.0005","21.8924","0.0008","90","","112.59","0.0014","90","","4763.8","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H72 N4 Zr -","- C52 H72 N4 Zr -","- C208 H288 N16 Zr4 -","4","1","","Corneliu Stanciu; Mary E. Jones; Phillip E. Fanwick; Mahdi M. Abu-Omar","Multi-electron Activation of Dioxygen on Zirconium(IV) to Give an Unprecedented Bisperoxo Complex","Journal of the American Chemical Society","2007","129","","12400","12401","10.1021/ja075396u","","","0.71073","MO-Kα","","0.082","0.043","","","0.096","0.113","","","","","","0.94","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110025","11.6553","0.0002","22.845","0.0005","21.8219","0.0006","90","","95.986","0.004","90","","5778.7","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H88 N4 O6 Zr -","- C60 H88 N4 O6 Zr -","- C240 H352 N16 O24 Zr4 -","4","1","","Corneliu Stanciu; Mary E. Jones; Phillip E. Fanwick; Mahdi M. Abu-Omar","Multi-electron Activation of Dioxygen on Zirconium(IV) to Give an Unprecedented Bisperoxo Complex","Journal of the American Chemical Society","2007","129","","12400","12401","10.1021/ja075396u","","","0.71073","MO-Kα","","0.12","0.086","","","0.143","0.156","","","","","","1.155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110026","5.841","0.001","13.469","0.003","20.984","0.005","90","","90.625","0.003","90","","1650.8","0.6","138.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","1","","Michael R. Luzung; Pablo Mauleón; F. Dean Toste","Gold(I)-Catalyzed [2 + 2]-Cycloaddition of Allenenes","Journal of the American Chemical Society","2007","129","","12402","12403","10.1021/ja075412n","","","0.7107","MoKα","","0.0757","0.0394","","0.0486","","0.0435","","","","","","1.796","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110027","7.597","0.003","10.378","0.004","15.152","0.006","99.237","0.007","98.206","0.006","94.922","0.006","1159.8","0.8","100.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H32 O5 -","- C24 H32 O5 -","- C48 H64 O10 -","2","1","","Michael R. Luzung; Pablo Mauleón; F. Dean Toste","Gold(I)-Catalyzed [2 + 2]-Cycloaddition of Allenenes","Journal of the American Chemical Society","2007","129","","12402","12403","10.1021/ja075412n","","","0.7107","MoKα","","0.1271","0.0728","","","","0.103","","","","","","1.821","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110028","14.277","0.003","7.424","0.001","18","0.003","90","","93.883","0.003","90","","1903.5","0.6","119.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O2 S -","- C22 H25 N O2 S -","- C88 H100 N4 O8 S4 -","4","1","","Michael R. Luzung; Pablo Mauleón; F. Dean Toste","Gold(I)-Catalyzed [2 + 2]-Cycloaddition of Allenenes","Journal of the American Chemical Society","2007","129","","12402","12403","10.1021/ja075412n","","","0.7107","MoKα","","0.0802","0.0428","","0.0516","","0.0465","","","","","","1.813","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110029","10.1936","0.0005","19.8023","0.0009","14.7695","0.0007","90","","100.61","0.001","90","","2930.4","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 B Br3 N2 -","- C27 H36 B Br3 N2 -","- C108 H144 B4 Br12 N8 -","4","1","","Yuzhong Wang; Brandon Quillian; Pingrong Wei; Chaitanya S. Wannere; Yaoming Xie; R. Bruce King; Henry F. Schaefer; Paul V. R. Schleyer; Gregory H. Robinson","A Stable Neutral Diborene Containing a BB Double Bond","Journal of the American Chemical Society","2007","129","","12412","12413","10.1021/ja075932i","","","0.71073","MoKα","","0.0937","0.0464","","","0.1122","0.136","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110030","12.8024","0.0017","14.372","0.002","14.466","0.002","90","","110.296","0.002","90","","2496.4","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H76 B2 N4 -","- C54 H76 B2 N4 -","- C108 H152 B4 N8 -","2","0.5","","Yuzhong Wang; Brandon Quillian; Pingrong Wei; Chaitanya S. Wannere; Yaoming Xie; R. Bruce King; Henry F. Schaefer; Paul V. R. Schleyer; Gregory H. Robinson","A Stable Neutral Diborene Containing a BB Double Bond","Journal of the American Chemical Society","2007","129","","12412","12413","10.1021/ja075932i","","","0.71073","MoKα","","0.0971","0.0532","","","0.1294","0.1548","","","","","","1.014","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110031","12.3979","0.0016","21.067","0.003","39.689","0.005","90","","90","","90","","10366","2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C54 H74 B2 N4 -","- C54 H74 B2 N4 -","- C432 H592 B16 N32 -","8","2","","Yuzhong Wang; Brandon Quillian; Pingrong Wei; Chaitanya S. Wannere; Yaoming Xie; R. Bruce King; Henry F. Schaefer; Paul V. R. Schleyer; Gregory H. Robinson","A Stable Neutral Diborene Containing a BB Double Bond","Journal of the American Chemical Society","2007","129","","12412","12413","10.1021/ja075932i","","","0.71073","MoKα","","0.3218","0.0792","","","0.1176","0.1861","","","","","","1.016","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110032","19.622","0.003","6.9958","0.0012","20.174","0.004","90","","101.398","0.002","90","","2714.7","0.8","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 B N2 -","- C27 H39 B N2 -","- C108 H156 B4 N8 -","4","1","","Yuzhong Wang; Brandon Quillian; Pingrong Wei; Chaitanya S. Wannere; Yaoming Xie; R. Bruce King; Henry F. Schaefer; Paul V. R. Schleyer; Gregory H. Robinson","A Stable Neutral Diborene Containing a BB Double Bond","Journal of the American Chemical Society","2007","129","","12412","12413","10.1021/ja075932i","","","0.71073","MoKα","","0.1276","0.0703","","","0.1741","0.2079","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110033","6.769","0.0001","15.6651","0.0003","14.3623","0.0003","90","","97.6867","0.0008","90","","1509.25","0.05","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H28 Li N Zn -","- C13 H28 Li N Zn -","- C52 H112 Li4 N4 Zn4 -","4","1","","Yoshinori Kondo; James V. Morey; Jacqueline C. Morgan; Hiroshi Naka; Daisuke Nobuto; Paul R. Raithby; Masanobu Uchiyama; Andrew E. H. Wheatley","On the Kinetic and Thermodynamic Reactivity of Lithium Di(alkyl)amidozincate Bases in Directed Ortho Metalation","Journal of the American Chemical Society","2007","129","","12734","12738","10.1021/ja072118m","","","0.71073","MoKα","","0.0335","0.0267","","","0.0674","0.0709","","","","","","1.032","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110034","12.8642","0.0002","18.0785","0.0003","18.0714","0.0003","90","","92.01","0.001","90","","4200.2","0.12","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H61 Li N2 O4 Zn -","- C44 H61 Li N2 O4 Zn -","- C176 H244 Li4 N8 O16 Zn4 -","4","1","","Yoshinori Kondo; James V. Morey; Jacqueline C. Morgan; Hiroshi Naka; Daisuke Nobuto; Paul R. Raithby; Masanobu Uchiyama; Andrew E. H. Wheatley","On the Kinetic and Thermodynamic Reactivity of Lithium Di(alkyl)amidozincate Bases in Directed Ortho Metalation","Journal of the American Chemical Society","2007","129","","12734","12738","10.1021/ja072118m","","","0.71073","MoKα","","0.0734","0.0496","","","0.1173","0.1324","","","","","","1.03","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110035","14.0803","0.0002","11.6398","0.0002","26.2134","0.0005","90","","97.485","0.001","90","","4259.56","0.13","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H62 Li N3 O4 Zn -","- C43 H62 Li N3 O4 Zn -","- C172 H248 Li4 N12 O16 Zn4 -","4","1","","Yoshinori Kondo; James V. Morey; Jacqueline C. Morgan; Hiroshi Naka; Daisuke Nobuto; Paul R. Raithby; Masanobu Uchiyama; Andrew E. H. Wheatley","On the Kinetic and Thermodynamic Reactivity of Lithium Di(alkyl)amidozincate Bases in Directed Ortho Metalation","Journal of the American Chemical Society","2007","129","","12734","12738","10.1021/ja072118m","","","0.71073","MoKα","","0.0891","0.0539","","","0.1064","0.1224","","","","","","1.042","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110036","10.4889","0.001","14.5745","0.0013","17.6357","0.0016","90","","90.986","0.002","90","","2695.6","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 N2 O5 Si -","- C25 H42 N2 O5 Si -","- C100 H168 N8 O20 Si4 -","4","1","","Laura E. Bourque; Pamela A. Cleary; K. A. Woerpel","Metal-Catalyzed Silylene Insertions of Allylic Ethers: Stereoselective Formation of Chiral Allylic Silanes","Journal of the American Chemical Society","2007","129","","12602","12603","10.1021/ja073758s","","","0.71073","MoKα","","0.0527","0.0358","","","0.0884","0.1006","","","","","","1.033","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110037","11.8218","0.0006","19.2336","0.0012","12.5458","0.0008","90","","107.123","0.004","90","","2726.2","0.3","160","1","160","1","","","","","","","","2","P 1 n 1","P -2yac","7","","","","- C70 H70 -","- C70 H70 -","- C140 H140 -","2","1","","Tomoharu Hayama; Yao-Ting Wu; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Synthesis, Structure, and Isomerization of Decapentynylcorannulene: Enediyne Cyclization/Interconversion of C40R10 Isomers","Journal of the American Chemical Society","2007","129","","12612","12613","10.1021/ja074403b","","","0.71073","MoKα","","0.0795","0.0592","","","0.1412","0.1569","","","","","","1.044","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110038","35.385","0.001","19.86","0.001","22.686","0.001","90","","96.436","0.001","90","","15842","1.2","100","1","100","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 -","- C70 H70 -","- C840 H840 -","12","3","","Tomoharu Hayama; Yao-Ting Wu; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Synthesis, Structure, and Isomerization of Decapentynylcorannulene: Enediyne Cyclization/Interconversion of C40R10 Isomers","Journal of the American Chemical Society","2007","129","","12612","12613","10.1021/ja074403b","","","0.775","synchrotron","","0.1493","0.1242","","","0.3547","0.3785","","","","","","2.031","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110039","12.4011","0.0009","24.8971","0.0018","8.7794","0.0005","90","","92.262","0.003","90","","2708.5","0.3","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 La N9 O14 -","- C18 H12 La N9 O14 -","- C72 H48 La4 N36 O56 -","4","1","","Thomas Devic; Olivier David; Marion Valls; Jérôme Marrot; François Couty; Gérard Férey","An Illustration of the Limit of the Metal Organic Framework's Isoreticular Principle Using a Semirigid Tritopic Linker Obtained by ""Click"" Chemistry","Journal of the American Chemical Society","2007","129","","12614","12615","10.1021/ja0744091","","","0.71073","MoKα","","0.0815","0.0442","","","0.1006","0.1284","","","","","","1.189","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110040","13.0998","0.0008","17.614","0.001","19.082","0.001","90","","90","","90","","4403","0.4","168.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H60 Au2 Cl2 O6 P2 -","- C42.25 H41 Au2 Cl2 O6.5 P2 -","- C169 H164 Au8 Cl8 O26 P8 -","4","1","","Asa D. Melhado; Marco Luparia; F. Dean Toste","Au(I)-Catalyzed Enantioselective 1,3-Dipolar Cycloadditions of Münchnones with Electron-Deficient Alkenes","Journal of the American Chemical Society","2007","129","","12638","12639","10.1021/ja074824t","","","0.7107","MoKα","","0.0392","0.0298","","0.0391","","0.0369","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110041","5.2609","0.0008","12.219","0.002","36.953","0.005","90","","90","","90","","2375.4","0.6","154.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N3 O3 -","- C28 H25 N3 O3 -","- C112 H100 N12 O12 -","4","1","","Asa D. Melhado; Marco Luparia; F. Dean Toste","Au(I)-Catalyzed Enantioselective 1,3-Dipolar Cycloadditions of Münchnones with Electron-Deficient Alkenes","Journal of the American Chemical Society","2007","129","","12638","12639","10.1021/ja074824t","","","0.7107","MoKα","","0.0662","0.0532","","0.0639","","0.0621","","","","","","2.473","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110042","7.0064","0.0009","13.373","0.001","21.334","0.003","107.146","0.003","98.682","0.004","92.615","0.005","1879.6","0.4","296.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C23 H14 Br4 Cl Fe O6 S8 Se4 -","- C23 H14 Br4 Cl Fe O6 S8 Se4 -","- C46 H28 Br8 Cl2 Fe2 O12 S16 Se8 -","2","1","","Xunwen Xiao; Toshiki Hayashi; Hideki Fujiwara; Toyonari Sugimoto; Satoru Noguchi; Yufeng Weng; Harukazu Yoshino; Keizo Murata; Hiroko Aruga Katori","An Antiferromagnetic Molecular Metal Based on a New Bent-Donor Molecule","Journal of the American Chemical Society","2007","129","","12618","12619","10.1021/ja074840q","","","0.7107","MoKα","","","0.097","","","","0.106","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110043","5.8187","0.0012","9.1892","0.0018","18.204","0.004","71.03","0.03","82.3","0.03","78.49","0.03","899.5","0.4","295","2","295","2","","","","","","","","2","P -1","-P 1","2","phenylacetylene, polymorph beta","Ethynylbenzene, polymorph beta at 0.4 GPa","","- C8 H6 -","- C8 H6 -","- C48 H36 -","6","3","","Kamil Dziubek; Marcin Podsiadło; Andrzej Katrusiak","Nearly Isostructural Polymorphs of Ethynylbenzene: Resolution of \τbCH...π(arene) and Cooperative \τbCH...π(C\τbC) Interactions by Pressure Freezing","Journal of the American Chemical Society","2007","129","","12620","12621","10.1021/ja074885r","","","0.71073","MoKα","","0.0794","0.0375","","","0.0693","0.0786","","","","","","0.972","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110044","5.8037","0.0012","9.1671","0.0018","18.163","0.004","71.08","0.03","82.33","0.03","78.47","0.03","893.2","0.4","295","2","295","2","","","","","","","","2","P -1","-P 1","2","phenylacetylene, polymorph beta at 0.43 GPa","Ethynylbenzene, polymorph beta at 0.43 GPa","","- C8 H6 -","- C8 H6 -","- C48 H36 -","6","3","","Kamil Dziubek; Marcin Podsiadło; Andrzej Katrusiak","Nearly Isostructural Polymorphs of Ethynylbenzene: Resolution of \τbCH...π(arene) and Cooperative \τbCH...π(C\τbC) Interactions by Pressure Freezing","Journal of the American Chemical Society","2007","129","","12620","12621","10.1021/ja074885r","","","0.71073","MoKα","","0.0654","0.0364","","","0.0816","0.091","","","","","","1.094","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110045","5.7459","0.0011","9.1349","0.0018","18.135","0.004","71.18","0.03","82.34","0.03","78.48","0.03","880.4","0.4","295","2","295","2","","","","","","","","2","P -1","-P 1","2","phenylacetylene, polymorph beta at 0.51 GPa","Ethynylbenzene, polymorph beta at 0.51 GPa","","- C8 H6 -","- C8 H6 -","- C48 H36 -","6","3","","Kamil Dziubek; Marcin Podsiadło; Andrzej Katrusiak","Nearly Isostructural Polymorphs of Ethynylbenzene: Resolution of \τbCH...π(arene) and Cooperative \τbCH...π(C\τbC) Interactions by Pressure Freezing","Journal of the American Chemical Society","2007","129","","12620","12621","10.1021/ja074885r","","","0.71073","MoKα","","0.0779","0.0496","","","0.126","0.1436","","","","","","1.117","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110046","5.7175","0.0011","9.0544","0.0018","17.832","0.004","71.11","0.03","82.44","0.03","78.38","0.03","853.3","0.3","295","2","295","2","","","","","","","","2","P -1","-P 1","2","phenylacetylene, polymorph beta at 0.76 GPa","Ethynylbenzene, polymorph beta at 0.76 GPa","","- C8 H6 -","- C8 H6 -","- C48 H36 -","6","3","","Kamil Dziubek; Marcin Podsiadło; Andrzej Katrusiak","Nearly Isostructural Polymorphs of Ethynylbenzene: Resolution of \τbCH...π(arene) and Cooperative \τbCH...π(C\τbC) Interactions by Pressure Freezing","Journal of the American Chemical Society","2007","129","","12620","12621","10.1021/ja074885r","","","0.71073","MoKα","","0.0784","0.0395","","","0.0791","0.0918","","","","","","0.979","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110047","5.6592","0.0011","8.9711","0.0018","17.701","0.004","71.09","0.03","82.67","0.03","78.28","0.03","830.6","0.3","295","2","295","2","","","","","","","","2","P -1","-P 1","2","phenylacetylene, polymorph beta at 1.25 GPa","Ethynylbenzene, polymorph beta at 1.25 GPa","","- C8 H6 -","- C8 H6 -","- C48 H36 -","6","3","","Kamil Dziubek; Marcin Podsiadło; Andrzej Katrusiak","Nearly Isostructural Polymorphs of Ethynylbenzene: Resolution of \τbCH...π(arene) and Cooperative \τbCH...π(C\τbC) Interactions by Pressure Freezing","Journal of the American Chemical Society","2007","129","","12620","12621","10.1021/ja074885r","","","0.71073","MoKα","","0.0857","0.0425","","","0.0683","0.0807","","","","","","1.053","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110048","5.7585","0.0012","9.1743","0.0018","15.417","0.003","77.59","0.03","81.62","0.03","80.75","0.03","779.9","0.3","100","2","295","2","","","","","","","","2","P -1","-P 1","2","phenylacetylene, polymorph alpha at 100K","Ethynylbenzene, polymorph alpha at 100K","","- C8 H6 -","- C8 H5.4 -","- C40 H27 -","5","2.5","","Kamil Dziubek; Marcin Podsiadło; Andrzej Katrusiak","Nearly Isostructural Polymorphs of Ethynylbenzene: Resolution of \τbCH...π(arene) and Cooperative \τbCH...π(C\τbC) Interactions by Pressure Freezing","Journal of the American Chemical Society","2007","129","","12620","12621","10.1021/ja074885r","","","0.71073","MoKα","","0.2622","0.1087","","","0.3042","0.3882","","","","","","1.084","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110049","5.863","0.0012","9.1863","0.0018","15.474","0.003","76.81","0.03","81.68","0.03","80.32","0.03","795","0.3","225","2","295","2","","","","","","","","2","P -1","-P 1","2","phenylacetylene, polymorph alpha at 225 K","Ethynylbenzene, polymorph alpha at 225 K","","- C8 H6 -","- C8 H5.6 -","- C40 H28 -","5","2.5","","Kamil Dziubek; Marcin Podsiadło; Andrzej Katrusiak","Nearly Isostructural Polymorphs of Ethynylbenzene: Resolution of \τbCH...π(arene) and Cooperative \τbCH...π(C\τbC) Interactions by Pressure Freezing","Journal of the American Chemical Society","2007","129","","12620","12621","10.1021/ja074885r","","","0.71073","MoKα","","0.3585","0.08","","","0.1772","0.3331","","","","","","0.784","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110050","16.14097","0.00018","16.8563","0.0003","15.227","0.0004","90","","90","","90","","4142.92","0.14","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C46 H36 Cl6 P2 Pt -","- C45 H34 Cl4 P2 Pt -","- C180 H136 Cl16 P8 Pt4 -","4","0.5","","Laura Bini; Christian Müller; Jos Wilting; Lars von Chrzanowski; Anthony L. Spek; Dieter Vogt","Highly Selective Hydrocyanation of Butadiene toward 3-Pentenenitrile","Journal of the American Chemical Society","2007","129","","12622","12623","10.1021/ja074922e","","","0.71073","MoKα","","0.0272","0.0268","","","0.07","0.0702","","","","","","1.037","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110051","9.3586","0.0002","9.8599","0.0002","11.6271","0.0003","93.428","0.001","97.556","0.001","101.899","0.001","1036.53","0.04","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H58 Fe2 K N4 O12 S2 -","- C28 H58 Fe2 K N4 O12 S2 -","- C28 H58 Fe2 K N4 O12 S2 -","1","0.5","","Chih-Chin Tsou; Tsai-Te Lu; Wen-Feng Liaw","EPR, UV-Vis, IR, and X-ray Demonstration of the Anionic Dimeric Dinitrosyl Iron Complex [(NO)2Fe(μ-StBu)2Fe(NO)2]-: Relevance to the Products of Nitrosylation of Cytosolic and Mitochondrial Aconitases, and High-Potential Iron Proteins","Journal of the American Chemical Society","2007","129","","12626","12627","10.1021/ja0751375","","","0.71073","MoKα","","0.0548","0.0414","","","0.1087","0.1221","","","","","","1.07","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110052","13.7977","0.0014","10.515","0.001","29.192","0.003","90","","100.057","0.002","90","","4170.2","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 Fe N3 O2 P2 S2 -","- C44 H48 Fe N3 O2 P2 S2 -","- C176 H192 Fe4 N12 O8 P8 S8 -","4","1","","Chih-Chin Tsou; Tsai-Te Lu; Wen-Feng Liaw","EPR, UV-Vis, IR, and X-ray Demonstration of the Anionic Dimeric Dinitrosyl Iron Complex [(NO)2Fe(μ-StBu)2Fe(NO)2]-: Relevance to the Products of Nitrosylation of Cytosolic and Mitochondrial Aconitases, and High-Potential Iron Proteins","Journal of the American Chemical Society","2007","129","","12626","12627","10.1021/ja0751375","","","0.71073","MoKα","","0.0637","0.0404","","","0.0841","0.0891","","","","","","0.897","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110053","6.276","0.0012","13.602","0.003","21.238","0.004","90","","90","","90","","1813","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","1","","Yang S. Tran; Ohyun Kwon","Phosphine-Catalyzed [4 + 2] Annulation: Synthesis of Cyclohexenes","Journal of the American Chemical Society","2007","129","","12632","12633","10.1021/ja0752181","","","0.71073","MoKα","","0.0377","0.0293","","","0.0598","0.0636","","","","","","1.006","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110054","7.644","0.002","18.09","0.005","12.853","0.003","90","","106.354","0.003","90","","1705.4","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C80 H76 N12 O8 -","4","1","","Yang S. Tran; Ohyun Kwon","Phosphine-Catalyzed [4 + 2] Annulation: Synthesis of Cyclohexenes","Journal of the American Chemical Society","2007","129","","12632","12633","10.1021/ja0752181","","","0.71073","MoKα","","0.133","0.0564","","","0.109","0.1356","","","","","","0.99","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110055","9.635","0.002","10.147","0.002","16.414","0.004","90","","105.077","0.004","90","","1549.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","","Yang S. Tran; Ohyun Kwon","Phosphine-Catalyzed [4 + 2] Annulation: Synthesis of Cyclohexenes","Journal of the American Chemical Society","2007","129","","12632","12633","10.1021/ja0752181","","","0.71073","MoKα","","0.047","0.0406","","","0.1046","0.1092","","","","","","1.027","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110056","10.3382","0.0007","17.7093","0.0013","23.8765","0.0017","90","","97.699","0.001","90","","4332","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cmpd 1","Dizirconium dinitrogen complex","","- C38 H70 N8 Zr2 -","- C38 H70 N8 Zr2 -","- C152 H280 N32 Zr8 -","4","1","","Masakazu Hirotsu; Philip P. Fontaine; Peter Y. Zavalij; Lawrence R. Sita","Extreme N\τbN Bond Elongation and Facile N-Atom Functionalization Reactions within Two Structurally Versatile New Families of Group 4 Bimetallic ""Side-on-Bridged"" Dinitrogen Complexes for Zirconium and Hafnium","Journal of the American Chemical Society","2007","129","","12690","12692","10.1021/ja0752989","","","0.71073","MoKα","","0.0408","0.0283","","","0.0621","0.0685","","","","","","0.999","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110057","10.3346","0.0006","17.8529","0.0011","23.6247","0.0014","90","","96.842","0.001","90","","4327.8","0.4","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cmpd_2","","","- C38 H70 Hf2 N8 -","- C38 H70 Hf2 N8 -","- C152 H280 Hf8 N32 -","4","1","","Masakazu Hirotsu; Philip P. Fontaine; Peter Y. Zavalij; Lawrence R. Sita","Extreme N\τbN Bond Elongation and Facile N-Atom Functionalization Reactions within Two Structurally Versatile New Families of Group 4 Bimetallic ""Side-on-Bridged"" Dinitrogen Complexes for Zirconium and Hafnium","Journal of the American Chemical Society","2007","129","","12690","12692","10.1021/ja0752989","","","0.71073","MoKα","","0.0304","0.0234","","","0.0523","0.055","","","","","","1","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110058","17.0487","0.001","18.9416","0.0011","25.4574","0.0016","90","","90","","90","","8220.9","0.9","220","2","220","2","","","","","","","","4","P c a 21","P 2c -2ac","29","cmpd_3","","","- C36 H66 Hf2 N8 -","- C36 H66 Hf2 N8 -","- C288 H528 Hf16 N64 -","8","2","","Masakazu Hirotsu; Philip P. Fontaine; Peter Y. Zavalij; Lawrence R. Sita","Extreme N\τbN Bond Elongation and Facile N-Atom Functionalization Reactions within Two Structurally Versatile New Families of Group 4 Bimetallic ""Side-on-Bridged"" Dinitrogen Complexes for Zirconium and Hafnium","Journal of the American Chemical Society","2007","129","","12690","12692","10.1021/ja0752989","","","0.71073","MoKα","","0.0332","0.0253","","","0.0552","0.0586","","","","","","1","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110059","13.9712","0.001","22.8383","0.0017","14.6871","0.0011","90","","105.059","0.001","90","","4525.4","0.6","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cmpd_4","","","- C41 H76 Hf2 N6 -","- C41 H64 Hf2 N6 -","- C164 H256 Hf8 N24 -","4","0.5","","Masakazu Hirotsu; Philip P. Fontaine; Peter Y. Zavalij; Lawrence R. Sita","Extreme N\τbN Bond Elongation and Facile N-Atom Functionalization Reactions within Two Structurally Versatile New Families of Group 4 Bimetallic ""Side-on-Bridged"" Dinitrogen Complexes for Zirconium and Hafnium","Journal of the American Chemical Society","2007","129","","12690","12692","10.1021/ja0752989","","","0.71073","MoKα","","0.0226","0.0187","","","0.0456","0.0482","","","","","","1","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110060","15.0967","0.0007","16.03","0.0008","31.8146","0.0015","90","","90","","90","","7699.1","0.6","220","2","220","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cmpd_5","","","- C34 H60 Hf2 N6 -","- C34 H60 Hf2 N6 -","- C272 H480 Hf16 N48 -","8","1","","Masakazu Hirotsu; Philip P. Fontaine; Peter Y. Zavalij; Lawrence R. Sita","Extreme N\τbN Bond Elongation and Facile N-Atom Functionalization Reactions within Two Structurally Versatile New Families of Group 4 Bimetallic ""Side-on-Bridged"" Dinitrogen Complexes for Zirconium and Hafnium","Journal of the American Chemical Society","2007","129","","12690","12692","10.1021/ja0752989","","","0.71073","MoKα","","0.0342","0.0224","","","0.0492","0.0547","","","","","","0.998","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110061","12.7984","0.0009","16.6686","0.0011","17.2329","0.0012","90","","96.292","0.001","90","","3654.2","0.4","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cmpd_6","","","- C32 H56 Hf2 N6 -","- C32 H56 Hf2 N6 -","- C128 H224 Hf8 N24 -","4","1","","Masakazu Hirotsu; Philip P. Fontaine; Peter Y. Zavalij; Lawrence R. Sita","Extreme N\τbN Bond Elongation and Facile N-Atom Functionalization Reactions within Two Structurally Versatile New Families of Group 4 Bimetallic ""Side-on-Bridged"" Dinitrogen Complexes for Zirconium and Hafnium","Journal of the American Chemical Society","2007","129","","12690","12692","10.1021/ja0752989","","","0.71073","MoKα","","0.0451","0.0274","","","0.0574","0.0651","","","","","","1","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110062","40.804","0.002","45.984","0.002","9.8364","0.0005","90","","90","","90","","18456.3","1.5","220","2","220","2","","","","","","","","5","F d d 2","F 2 -2d","43","cmpd_7a","","","- C42 H74 Hf2 N8 Si -","- C42 H74 Hf2 N8 Si -","- C672 H1184 Hf32 N128 Si16 -","16","1","","Masakazu Hirotsu; Philip P. Fontaine; Peter Y. Zavalij; Lawrence R. Sita","Extreme N\τbN Bond Elongation and Facile N-Atom Functionalization Reactions within Two Structurally Versatile New Families of Group 4 Bimetallic ""Side-on-Bridged"" Dinitrogen Complexes for Zirconium and Hafnium","Journal of the American Chemical Society","2007","129","","12690","12692","10.1021/ja0752989","","","0.71073","MoKα","","0.042","0.0367","","","0.0712","0.0728","","","","","","1","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110063","11.2318","0.0007","11.8589","0.0007","31.064","0.002","90","","96.233","0.001","90","","4113.2","0.4","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cmpd_8a","","","- C36 H68 Hf2 N8 -","- C36 H68 Hf2 N8 -","- C144 H272 Hf8 N32 -","4","1","","Masakazu Hirotsu; Philip P. Fontaine; Peter Y. Zavalij; Lawrence R. Sita","Extreme N\τbN Bond Elongation and Facile N-Atom Functionalization Reactions within Two Structurally Versatile New Families of Group 4 Bimetallic ""Side-on-Bridged"" Dinitrogen Complexes for Zirconium and Hafnium","Journal of the American Chemical Society","2007","129","","12690","12692","10.1021/ja0752989","","","0.71073","MoKα","","0.0247","0.0194","","","0.0407","0.0423","","","","","","1","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110064","10.1039","0.0006","12.1053","0.0007","16.7525","0.001","108.998","0.001","92.159","0.001","90.871","0.001","1935.2","0.2","220","2","220","2","","","","","","","","5","P -1","-P 1","2","cmpd_9a","","","- C36 H65 Br Hf2 N6 -","- C36 H65 Br Hf2 N6 -","- C72 H130 Br2 Hf4 N12 -","2","1","","Masakazu Hirotsu; Philip P. Fontaine; Peter Y. Zavalij; Lawrence R. Sita","Extreme N\τbN Bond Elongation and Facile N-Atom Functionalization Reactions within Two Structurally Versatile New Families of Group 4 Bimetallic ""Side-on-Bridged"" Dinitrogen Complexes for Zirconium and Hafnium","Journal of the American Chemical Society","2007","129","","12690","12692","10.1021/ja0752989","","","0.71073","MoKα","","0.0346","0.0262","","","0.0566","0.0595","","","","","","1","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110065","9.0206","0.0006","17.6707","0.0012","23.9453","0.0016","90","","93.368","0.001","90","","3810.3","0.4","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cmpd_9b","","","- C34 H61 Br Hf2 N6 -","- C34 H61 Br Hf2 N6 -","- C136 H244 Br4 Hf8 N24 -","4","1","","Masakazu Hirotsu; Philip P. Fontaine; Peter Y. Zavalij; Lawrence R. Sita","Extreme N\τbN Bond Elongation and Facile N-Atom Functionalization Reactions within Two Structurally Versatile New Families of Group 4 Bimetallic ""Side-on-Bridged"" Dinitrogen Complexes for Zirconium and Hafnium","Journal of the American Chemical Society","2007","129","","12690","12692","10.1021/ja0752989","","","0.71073","MoKα","","0.0672","0.0435","","","0.0837","0.0899","","","","","","1","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110066","10.5064","0.001","32.344","0.003","11.6972","0.0011","90","","95.079","0.001","90","","3959.3","0.6","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cmpd_10","","","- C34 H60 Br2 Hf2 N6 -","- C34 H60 Br2 Hf2 N6 -","- C136 H240 Br8 Hf8 N24 -","4","1","","Masakazu Hirotsu; Philip P. Fontaine; Peter Y. Zavalij; Lawrence R. Sita","Extreme N\τbN Bond Elongation and Facile N-Atom Functionalization Reactions within Two Structurally Versatile New Families of Group 4 Bimetallic ""Side-on-Bridged"" Dinitrogen Complexes for Zirconium and Hafnium","Journal of the American Chemical Society","2007","129","","12690","12692","10.1021/ja0752989","","","0.71073","MoKα","","0.03","0.0211","","","0.0424","0.045","","","","","","1.001","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110067","10.3477","0.0004","9.7315","0.0004","17.1742","0.0009","90","","96.03","0.002","90","","1719.85","0.13","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H18 Br N O2 S -","- C17 H18 Br N O2 S -","- C68 H72 Br4 N4 O8 S4 -","4","2","","Ming-Yu Ngai; Andriy Barchuk; Michael J. Krische","Enantioselective Iridium-Catalyzed Imine Vinylation: Optically Enriched Allylic Amines via Alkyne-Imine Reductive Coupling Mediated by Hydrogen","Journal of the American Chemical Society","2007","129","","12644","12645","10.1021/ja075438e","","","0.71073","MoKα","","0.09","0.0586","","","0.1153","0.1293","","","","","","1.079","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110068","14.3108","0.0004","6.9979","0.0009","11.4476","0.0007","90","","90","","90","","1146.43","0.17","12","1","12","1","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C4 H4 Co N2 O10 V4 -","- C4 H4 Co N2 O10 V4 -","- C16 H16 Co4 N8 O40 V16 -","4","0.25","","Bangbo Yan; Marilyn M. Olmstead; Paul A. Maggard","Effect of Spin-Ladder Topology on 2D Charge Ordering: Toward New Spin-Antiferroelectric Transitions","Journal of the American Chemical Society","2007","129","","12646","12647","10.1021/ja0754709","","","0.71073","MoKα","","0.0371","0.033","","","0.0785","0.079","","","","","","1.341","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110069","14.438","0.001","6.9788","0.0005","11.4743","0.0008","90","","90","","90","","1156.15","0.14","10","2","10","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C4 H4 N2 O10 V4 Zn -","- C4 H4 N2 O10 V4 Zn -","- C16 H16 N8 O40 V16 Zn4 -","4","0.5","","Bangbo Yan; Marilyn M. Olmstead; Paul A. Maggard","Effect of Spin-Ladder Topology on 2D Charge Ordering: Toward New Spin-Antiferroelectric Transitions","Journal of the American Chemical Society","2007","129","","12646","12647","10.1021/ja0754709","","","0.71073","MoKα","","0.0378","0.0354","","","0.0944","0.0955","","","","","","1.107","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110070","11.762","0.003","22.614","0.005","13.619","0.003","90","","95.454","0.004","90","","3606.1","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 Mo N2 O -","- C40 H54 Mo N2 O -","- C160 H216 Mo4 N8 O4 -","4","1","","Rojendra Singh; Richard R. Schrock; Peter Müller; Amir H. Hoveyda","Synthesis of Monoalkoxide Monopyrrolyl Complexes Mo(NR)(CHR')(OR'')(pyrrolyl): Enyne Metathesis with High Oxidation State Catalysts","Journal of the American Chemical Society","2007","129","","12654","12655","10.1021/ja075569f","","","0.71073","MoKα","","0.0308","0.025","","","0.061","0.0647","","","","","","1.038","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110071","13.4226","0.0006","14.0327","0.0006","15.1067","0.0007","72.376","0.003","75.702","0.002","77.404","0.002","2596","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H46 B F20 Ir O3 P2 -","- C49 H46 B F20 Ir O3 P2 -","- C98 H92 B2 F40 Ir2 O6 P4 -","2","1","","Jian Yang; Maurice Brookhart","Iridium-Catalyzed Reduction of Alkyl Halides by Triethylsilane","Journal of the American Chemical Society","2007","129","","12656","12657","10.1021/ja075725i","","","1.54178","CuKα","","0.0327","0.0293","","","0.0694","0.0712","","","","","","1.059","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110072","13.901","0.0002","20.785","0.0006","35.331","0.0009","90","","90","","90","","10208.3","0.4","150","0.1","150","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-(1-Adamantyl)-1,1,2-tris(tri-tert-butylsilyl)- 1,2-disilacycloprop-2-ene","","- C47 H96 Si5 -","- C47 H96 Si5 -","- C376 H768 Si40 -","8","1","","Masayasu Igarashi; Masaaki Ichinohe; Akira Sekiguchi","Air-Stable Disilacyclopropene with a SiC Bond and Its Conversion to Disilacyclopropenylium Ion: Silicon-Carbon Hybrid 2π-Electron Systems","Journal of the American Chemical Society","2007","129","","12660","12661","10.1021/ja075740n","","","0.7107","MoKα","","0.0823","0.0564","","","0.1634","0.1819","","","","","","1.006","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110073","6.1617","0.0009","9.7621","0.0015","16.39","0.003","75.69","0.012","80.24","0.012","80.226","0.012","933","0.3","94","1","94","1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C40 H54 N2 O8 -","2","1","","Edouard Godineau; Yannick Landais","Multicomponent Radical Processes: Synthesis of Substituted Piperidinones","Journal of the American Chemical Society","2007","129","","12662","12663","10.1021/ja075755l","","","0.71073","MoKα","","0.0696","0.0493","","","0.1126","0.1244","","","","","","1.036","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110074","22.6","0.002","23.58","0.002","17.3563","0.0018","90","","98.448","0.002","90","","9149","1.5","30","2","30","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Ru2(DPhF)3(OAc)(H2O)](CF3SO3), thf","","","- C46 H46 F3 N6 O7 Ru2 S -","- C46 H46 F3 N6 O7 Ru2 S -","- C368 H368 F24 N48 O56 Ru16 S8 -","8","2","","F. Albert Cotton; Santiago Herrero; Reyes Jiménez-Aparicio; Carlos A. Murillo; Francisco A. Urbanos; Dino Villagrán; Xiaoping Wang","How Small Variations in Crystal Interactions Affect Macroscopic Properties","Journal of the American Chemical Society","2007","129","","12666","12667","10.1021/ja075808z","","","0.71073","MoKα","","0.0933","0.0617","","","0.1442","0.1703","","","","","","1.133","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110075","22.6714","0.0014","23.5666","0.0015","17.4698","0.0011","90","","98.426","0.001","90","","9233.2","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Ru2(DPhF)3(OAc)(H2O)](CF3SO3), thf","","","- C46 H46 F3 N6 O7 Ru2 S -","- C46 H46 F3 N6 O7 Ru2 S -","- C368 H368 F24 N48 O56 Ru16 S8 -","8","2","","F. Albert Cotton; Santiago Herrero; Reyes Jiménez-Aparicio; Carlos A. Murillo; Francisco A. Urbanos; Dino Villagrán; Xiaoping Wang","How Small Variations in Crystal Interactions Affect Macroscopic Properties","Journal of the American Chemical Society","2007","129","","12666","12667","10.1021/ja075808z","","","0.71073","MoKα","","0.067","0.05","","","0.1202","0.1396","","","","","","1.114","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110076","22.7333","0.0016","23.5731","0.0016","17.5445","0.0012","90","","98.522","0.001","90","","9298.2","1.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Ru2(DPhF)3(OAc)(H2O)](CF3SO3), thf","","","- C46 H46 F3 N6 O7 Ru2 S -","- C46 H46 F3 N6 O7 Ru2 S -","- C368 H368 F24 N48 O56 Ru16 S8 -","8","2","","F. Albert Cotton; Santiago Herrero; Reyes Jiménez-Aparicio; Carlos A. Murillo; Francisco A. Urbanos; Dino Villagrán; Xiaoping Wang","How Small Variations in Crystal Interactions Affect Macroscopic Properties","Journal of the American Chemical Society","2007","129","","12666","12667","10.1021/ja075808z","","","0.71073","MoKα","","0.0665","0.0491","","","0.1191","0.1376","","","","","","1.09","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110077","22.7962","0.0014","23.6044","0.0014","17.6247","0.0011","90","","98.615","0.001","90","","9376.7","1","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Ru2(DPhF)3(OAc)(H2O)](CF3SO3), thf","","","- C46 H46 F3 N6 O7 Ru2 S -","- C46 H46 F3 N6 O7 Ru2 S -","- C368 H368 F24 N48 O56 Ru16 S8 -","8","2","","F. Albert Cotton; Santiago Herrero; Reyes Jiménez-Aparicio; Carlos A. Murillo; Francisco A. Urbanos; Dino Villagrán; Xiaoping Wang","How Small Variations in Crystal Interactions Affect Macroscopic Properties","Journal of the American Chemical Society","2007","129","","12666","12667","10.1021/ja075808z","","","0.71073","MoKα","","0.0606","0.0346","","","0.0745","0.0909","","","","","","1.081","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110078","22.897","0.003","23.641","0.004","17.736","0.003","90","","98.89","0.003","90","","9485","3","243","2","243","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Ru2(DPhF)3(OAc)(H2O)](CF3SO3), thf","","","- C46 H46 F3 N6 O7 Ru2 S -","- C46 H46 F3 N6 O7 Ru2 S -","- C368 H368 F24 N48 O56 Ru16 S8 -","8","2","","F. Albert Cotton; Santiago Herrero; Reyes Jiménez-Aparicio; Carlos A. Murillo; Francisco A. Urbanos; Dino Villagrán; Xiaoping Wang","How Small Variations in Crystal Interactions Affect Macroscopic Properties","Journal of the American Chemical Society","2007","129","","12666","12667","10.1021/ja075808z","","","0.71073","MoKα","","0.0696","0.0363","","","0.0769","0.0964","","","","","","1.075","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110079","22.9779","0.0016","23.6451","0.0017","17.8121","0.0013","90","","99.267","0.001","90","","9551.3","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Ru2(DPhF)3(OAc)(H2O)](CF3SO3), thf","","","- C46 H46 F3 N6 O7 Ru2 S -","- C46 H46 F3 N6 O7 Ru2 S -","- C368 H368 F24 N48 O56 Ru16 S8 -","8","2","","F. Albert Cotton; Santiago Herrero; Reyes Jiménez-Aparicio; Carlos A. Murillo; Francisco A. Urbanos; Dino Villagrán; Xiaoping Wang","How Small Variations in Crystal Interactions Affect Macroscopic Properties","Journal of the American Chemical Society","2007","129","","12666","12667","10.1021/ja075808z","","","0.71073","MoKα","","0.0821","0.0379","","","0.0739","0.0981","","","","","","1.084","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110080","7.2668","0.0001","13.4135","0.0003","23.4946","0.0004","90","","90","","90","","2290.09","0.07","100","","100","","","","","","","","CH2Cl2/AcOEt","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 Cl F4 N2 Rh -","- C26 H26 Cl F4 N2 Rh -","- C104 H104 Cl4 F16 N8 Rh4 -","4","1","","Alois Fürstner; Manuel Alcarazo; Helga Krause; Christian W. Lehmann","Effective Modulation of the Donor Properties of N-Heterocyclic Carbene Ligands by ""Through-Space"" Communication within a Planar Chiral Scaffold","Journal of the American Chemical Society","2007","129","","12676","12677","10.1021/ja076028t","","","0.71073","MoKα","","0.0266","0.0244","","","0.0727","0.0739","","","","","","1.166","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110081","8.1878","0.0002","14.1611","0.0004","14.4546","0.0004","90","","92.692","0.001","90","","1674.14","0.08","100","","100","","","","","","","","CH2Cl2/Et2O","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C76 H84 N12 O8 -","4","1","","Alois Fürstner; Manuel Alcarazo; Helga Krause; Christian W. Lehmann","Effective Modulation of the Donor Properties of N-Heterocyclic Carbene Ligands by ""Through-Space"" Communication within a Planar Chiral Scaffold","Journal of the American Chemical Society","2007","129","","12676","12677","10.1021/ja076028t","","","1.54178","CuKα","","0.0404","0.0348","","","0.0842","0.0882","","","","","","1.101","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110082","19.2002","0.0002","6.9127","0.0001","18.6081","0.0002","90","","117.46","","90","","2191.5","0.05","100","","100","","","","","","","","AcOEt","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cl N2 Rh -","- C26 H30 Cl N2 Rh -","- C104 H120 Cl4 N8 Rh4 -","4","1","","Alois Fürstner; Manuel Alcarazo; Helga Krause; Christian W. Lehmann","Effective Modulation of the Donor Properties of N-Heterocyclic Carbene Ligands by ""Through-Space"" Communication within a Planar Chiral Scaffold","Journal of the American Chemical Society","2007","129","","12676","12677","10.1021/ja076028t","","","0.71073","MoKα","","0.0466","0.046","","","0.1789","0.1791","","","","","","1.646","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110083","6.6388","0.001","7.1089","0.0011","7.1799","0.0011","78.937","0.002","74.844","0.002","62.838","0.002","289.96","0.08","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H12 B10 O4 -","- C4 H12 B10 O4 -","- C4 H12 B10 O4 -","1","0.5","","Omar K. Farha; Alexander M. Spokoyny; Karen L. Mulfort; M. Frederick Hawthorne; Chad A. Mirkin; Joseph T. Hupp","Synthesis and Hydrogen Sorption Properties of Carborane Based Metal-Organic Framework Materials","Journal of the American Chemical Society","2007","129","","12680","12681","10.1021/ja076167a","","","0.71073","MoKα","","0.0581","0.0523","","","0.1398","0.1479","","","","","","1.076","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110084","39.356","0.005","14.5154","0.0018","21.629","0.003","90","","90","","90","","12356","3","153","2","153","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C25 H59 B25 N3 O15 Zn3 -","- C25 H59 B25 N3 O15 Zn3 -","- C200 H472 B200 N24 O120 Zn24 -","8","1","","Omar K. Farha; Alexander M. Spokoyny; Karen L. Mulfort; M. Frederick Hawthorne; Chad A. Mirkin; Joseph T. Hupp","Synthesis and Hydrogen Sorption Properties of Carborane Based Metal-Organic Framework Materials","Journal of the American Chemical Society","2007","129","","12680","12681","10.1021/ja076167a","","","0.71073","MoKα","","0.0866","0.0655","","","0.1807","0.1892","","","","","","1.048","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110085","10.838","0.0005","11.4593","0.0005","14.8502","0.0006","72.325","0.002","86.301","0.002","88.173","0.002","1753.46","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H0 Br O9 -","- C40 H41 Br O9 -","- C80 H82 Br2 O18 -","2","1","","Ji Qi; John A. Porco","Rapid Access to Polyprenylated Phloroglucinols via Alkylative Dearomatization-Annulation: Total Synthesis of (\±)-Clusianone1","Journal of the American Chemical Society","2007","129","","12682","12683","10.1021/ja0762339","","","0.71073","MoKα","","0.0537","0.0349","","","0.0944","0.102","","","","","","1.039","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110086","12.8741","0.0005","14.0942","0.0005","11.3501","0.0004","90","","90","","90","","2059.48","0.13","100","2","100","2","","","","","","","","6","P n n 2","P 2 -2n","34","CrCrFe(dpa)4Cl2.CH2Cl2","","","- C41 H34 Cl4 Cr2 Fe N12 -","- C41 H34 Cl4 Cr2 Fe N12 -","- C82 H68 Cl8 Cr4 Fe2 N24 -","2","0.5","","Michael Nippe; John F. Berry","Introducing a Metal-Metal Multiply Bonded Group as an ""Axial Ligand"" to Iron: Synthetic Design of a Linear Cr-Cr...Fe Framework","Journal of the American Chemical Society","2007","129","","12684","12685","10.1021/ja076337j","","","0.71073","Mo-Kα","","0.0257","0.0254","","","0.0757","0.076","","","","","","0.993","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4110087","16.0078","0.0009","15.7414","0.0009","17.0067","0.001","90","","98.241","0.001","90","","4241.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CrCrFe(dpa)4Cl2.0.965Et2O.0.035CH2Cl2","","","- C43.9 H41.72 Cl2.07 Cr2 Fe N12 O0.96 -","- C43.91 H41.76 Cl2.06 Cr2 Fe N12 O0.97 -","- C175.64 H167.04 Cl8.24 Cr8 Fe4 N48 O3.88 -","4","1","","Michael Nippe; John F. Berry","Introducing a Metal-Metal Multiply Bonded Group as an ""Axial Ligand"" to Iron: Synthetic Design of a Linear Cr-Cr...Fe Framework","Journal of the American Chemical Society","2007","129","","12684","12685","10.1021/ja076337j","","","0.71073","MoKα","","0.0465","0.0357","","","0.0921","0.0988","","","","","","1.031","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4110088","5.1605","0.0013","7.972","0.002","29.258","0.007","90","","90","","90","","1203.7","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br N O2 -","- C13 H14 Br N O2 -","- C52 H56 Br4 N4 O8 -","4","1","","Eda Canales; E. J. Corey","Highly Enantioselective [2+2]-Cycloaddition Reactions Catalyzed by a Chiral Aluminum Bromide Complex","Journal of the American Chemical Society","2007","129","","12686","12687","10.1021/ja0765262","","","0.71073","MoKα","","0.0438","0.0423","","","0.0775","0.078","","","","","","1.025","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110089","9.066","0.0003","14.5671","0.0005","20.5696","0.0008","74.904","0.001","89.009","0.001","81.677","0.001","2594.57","0.16","193","2","193","2","","","","","","","chemical synthesis","5","P 1","P 1","1","","(1S,7R,8S)-(7-Hydroxybicyclo[5.2.0]nonan-8-yl)methyl 4-Bromophenylcarbamate","","- C17 H22.67 Br N O3.33 -","- C17 H22.6667 Br N O3.33333 -","- C102 H136 Br6 N6 O20 -","6","6","","Eda Canales; E. J. Corey","Highly Enantioselective [2+2]-Cycloaddition Reactions Catalyzed by a Chiral Aluminum Bromide Complex","Journal of the American Chemical Society","2007","129","","12686","12687","10.1021/ja0765262","","","0.71073","MoKα","","0.0491","0.0313","","","0.0639","0.0699","","","","","","0.87","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110090","8.3944","0.0002","8.0872","0.0001","10.3921","0.0002","90","","90.616","0.001","90","","705.45","0.02","193","2","193","2","","","","","","","chemical synthesis","4","P 1 21 1","P 2yb","4","","(4aS)-(E)-2-(4a-methyl-3,4,4a,5,6,7,8,9-octahydrobenzo[7]annulen-2- ylidene)hydrazinecarbothioamide","","- C13 H21 N3 S -","- C13 H21 N3 S -","- C26 H42 N6 S2 -","2","1","","Eda Canales; E. J. Corey","Highly Enantioselective [2+2]-Cycloaddition Reactions Catalyzed by a Chiral Aluminum Bromide Complex","Journal of the American Chemical Society","2007","129","","12686","12687","10.1021/ja0765262","","","0.71073","MoKα","","0.0333","0.0297","","","0.0761","0.0788","","","","","","1.038","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110091","16.0334","0.0008","16.0334","0.0008","4.109","0.0004","90","","90","","90","","1056.3","0.13","298","2","298","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","ClBPTSEt","","","- C7 H5 Cl N3 S2 Se2 -","- C7 H5 Cl N3 S2 Se2 -","- C28 H20 Cl4 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Daniel J. T. Myles; Alicea A. Leitch; Robert W. Reed; Brynn M. Dooley; Natia L. Frank; Paul A. Dube; Laurence K. Thompson; Richard T. Oakley","Ferromagnetism in a Heavy Atom Heterocyclic Radical Conductor","Journal of the American Chemical Society","2007","129","","12688","12689","10.1021/ja076841o","","","0.71073","MoKα","","0.0507","0.0447","","","0.1003","0.1029","","","","","","1.099","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110092","11.2779","0.0005","15.8314","0.0007","17.6683","0.0008","76.531","0.001","83.363","0.001","79.656","0.001","3009","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H53 P -","- C33 H53 P -","- C132 H212 P4 -","4","2","","Takashi Ikawa; Timothy E. Barder; Mark R. Biscoe; Stephen L. Buchwald","Pd-Catalyzed Amidations of Aryl Chlorides Using Monodentate Biaryl Phosphine Ligands: A Kinetic, Computational, and Synthetic Investigation","Journal of the American Chemical Society","2007","129","","13001","13007","10.1021/ja0717414","","","0.71073","MoKα","","0.0667","0.0602","","","0.1657","0.174","","","","","","1.03","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110093","7.5926","0.0007","10.815","0.001","8.5288","0.0008","90","","115.828","0.002","90","","630.37","0.1","223","2","223","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C11 H20 Cu P -","- C11 H20 Cu P -","- C22 H40 Cu2 P2 -","2","0.5","","Joel A. Tang; Bobby D. Ellis; Timothy H. Warren; John V. Hanna; Charles L. B. Macdonald; Robert W. Schurko","Solid-State 63Cu and 65Cu NMR Spectroscopy of Inorganic and Organometallic Copper(I) Complexes","Journal of the American Chemical Society","2007","129","","13049","13065","10.1021/ja073238x","","","0.71073","MoKα","","0.0775","0.0747","","","0.1646","0.1659","","","","","","1.374","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110094","15.842","0.002","10.1071","0.0014","14.466","0.002","90","","90","","90","","2316.2","0.5","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H28 Cu P -","- C27 H28 Cu P -","- C108 H112 Cu4 P4 -","4","1","","Joel A. Tang; Bobby D. Ellis; Timothy H. Warren; John V. Hanna; Charles L. B. Macdonald; Robert W. Schurko","Solid-State 63Cu and 65Cu NMR Spectroscopy of Inorganic and Organometallic Copper(I) Complexes","Journal of the American Chemical Society","2007","129","","13049","13065","10.1021/ja073238x","","","0.71073","MoKα","","0.0827","0.0696","","","0.1257","0.1333","","","","","","1.206","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110095","18.795","0.003","15.553","0.003","17.69","0.003","90","","111.492","0.002","90","","4811.6","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cu P -","- C28 H30 Cu P -","- C224 H240 Cu8 P8 -","8","2","","Joel A. Tang; Bobby D. Ellis; Timothy H. Warren; John V. Hanna; Charles L. B. Macdonald; Robert W. Schurko","Solid-State 63Cu and 65Cu NMR Spectroscopy of Inorganic and Organometallic Copper(I) Complexes","Journal of the American Chemical Society","2007","129","","13049","13065","10.1021/ja073238x","","","0.71073","MoKα","","0.0945","0.0528","","","0.1013","0.1176","","","","","","1.045","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110096","8.0125","0.0013","11.2771","0.0018","19.268","0.003","90","","98.652","0.002","90","","1721.2","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H23 N O5 S -","- C16 H23 N O5 S -","- C64 H92 N4 O20 S4 -","4","2","","Vardhineedi Sriramurthy; Gregg A. Barcan; Ohyun Kwon","Bisphosphine-Catalyzed Mixed Double-Michael Reactions: Asymmetric Synthesis of Oxazolidines, Thiazolidines, and Pyrrolidines","Journal of the American Chemical Society","2007","129","","12928","12929","10.1021/ja073754n","","","0.71073","MoKα","","0.0592","0.0416","","","0.0776","0.085","","","","","","1.003","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110097","8.149","0.004","9.248","0.004","11.916","0.005","90","","97.912","0.005","90","","889.5","0.7","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H23 N O5 S -","- C16 H23 N O5 S -","- C32 H46 N2 O10 S2 -","2","1","","Vardhineedi Sriramurthy; Gregg A. Barcan; Ohyun Kwon","Bisphosphine-Catalyzed Mixed Double-Michael Reactions: Asymmetric Synthesis of Oxazolidines, Thiazolidines, and Pyrrolidines","Journal of the American Chemical Society","2007","129","","12928","12929","10.1021/ja073754n","","","0.71073","MoKα","","0.0359","0.0328","","","0.0853","0.0886","","","","","","1.037","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110098","11.7766","0.0007","8.3887","0.0005","53.66","0.003","90","","90.134","0.003","90","","5301.1","0.5","150","","150","","","","","","","","Yi Wang","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 -","- C24 H24 -","- C288 H288 -","12","3","","Yi Wang; Andrew D Stretton; Mark C McConnell; Peter A. Wood; Simon Parsons; John B Henry; Andrew R Mount; Trent H Galow","1,4,5,8,9,12-Hexamethyltriphenylene. A Molecule with a Flipping Twist","Journal of the American Chemical Society","2007","129","","13193","13200","10.1021/ja074120j","","","0.71073","MoKα","","0.1211","0.0652","","0.2025","0.1615","0.2025","","","","","","0.9719","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110099","14.974","0.0032","14.974","","3.3986","0.0009","90","","90","","120","","659.9","0.2","","","","","","","","","","","","4","P -6 m 2","P -6 2","187","","COF-6","","- C8 H3 B O2 -","- C8 H3 B O2 -","- C24 H9 B3 O6 -","3","0.25","","Adrien P. Côté; Hani M. El-Kaderi; Hiroyasu Furukawa; Joseph R. Hunt; Omar M. Yaghi","Reticular Synthesis of Microporous and Mesoporous 2D Covalent Organic Frameworks","Journal of the American Chemical Society","2007","129","","12914","12915","10.1021/ja0751781","powder diffraction","","","","","","","","","","","","","4.85","","","","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110100","36.028","0.027","36.028","","3.526","0.012","90","","90","","120","","3964","14","","","","","","","","","","","","3","P 6 m m","P 6 -2","183","","COF-8","","- C12 B O2 -","- C12 B O2 -","- C72 B6 O12 -","6","0.5","","Adrien P. Côté; Hani M. El-Kaderi; Hiroyasu Furukawa; Joseph R. Hunt; Omar M. Yaghi","Reticular Synthesis of Microporous and Mesoporous 2D Covalent Organic Frameworks","Journal of the American Chemical Society","2007","129","","12914","12915","10.1021/ja0751781","powder diffraction","","","","","","","","","","","","","29.57","","","","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110101","22.013","0.0029","22.013","","3.63","0.004","90","","90","","120","","1523.3","1.7","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","COF-8","","- C14 B O2 -","- C14 B O2 -","- C42 B3 O6 -","3","0.25","","Adrien P. Côté; Hani M. El-Kaderi; Hiroyasu Furukawa; Joseph R. Hunt; Omar M. Yaghi","Reticular Synthesis of Microporous and Mesoporous 2D Covalent Organic Frameworks","Journal of the American Chemical Society","2007","129","","12914","12915","10.1021/ja0751781","powder diffraction","","","","","","","","","","","","","4.1","","","","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110102","17.0412","0.0015","19.8622","0.0016","19.9519","0.0017","89.227","0.002","77.146","0.002","77.433","0.002","6421.9","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C121 H126 Fe9 N13 O38 -","- C103.408 H99.408 Fe9 N4 O38 -","- C206.816 H198.816 Fe18 N8 O76 -","2","1","","Rashmi Bagai; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","Exchange-Biased Dimers of Single-Molecule Magnets in OFF and ON States","Journal of the American Chemical Society","2007","129","","12918","12919","10.1021/ja075382o","","","0.71073","MoKα","","0.1366","0.0747","","","0.1828","0.2063","","","","","","0.919","","","","has coordinates,has disorder","178872","2020-10-21","18:00:00",""
"4110103","12.422","0.006","3.849","0.006","16.981","0.012","90","","107.83","0.04","90","","772.9","1.4","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Phenazine-Chloranilicacid","Phenazine-Chloranilicacid","","- C18 H10 Cl2 N2 O4 -","- C18 H10 Cl2 N2 O4 -","- C36 H20 Cl4 N4 O8 -","2","0.5","","Reiji Kumai; Sachio Horiuchi; Hajime Sagayama; Taka-hisa Arima; Masashi Watanabe; Yukio Noda; Yoshinori Tokura","Structural Assignment of Polarization in Hydrogen-Bonded Supramolecular Ferroelectrics","Journal of the American Chemical Society","2007","129","","12920","12921","10.1021/ja075406r","","neutron","1.243","Neutron","","0.0659","0.0531","","","0.1134","0.1285","","","","","","1.008","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110104","12.423","0.004","3.788","0.008","16.914","0.006","90","","107.89","0.03","90","","757.5","1.6","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","Phenazine-Chloranilicacid","Phenazine-Chloranilicacid","","- C18 H10 Cl2 N2 O4 -","- C18 H10 Cl2 N2 O4 -","- C36 H20 Cl4 N4 O8 -","2","1","","Reiji Kumai; Sachio Horiuchi; Hajime Sagayama; Taka-hisa Arima; Masashi Watanabe; Yukio Noda; Yoshinori Tokura","Structural Assignment of Polarization in Hydrogen-Bonded Supramolecular Ferroelectrics","Journal of the American Chemical Society","2007","129","","12920","12921","10.1021/ja075406r","","neutron","1.243","Neutron","","0.0499","0.0488","","","0.1086","0.1092","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110105","12.386","0.005","3.908","0.005","17.433","0.007","90","","107.86","0.03","90","","803.2","1.1","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Phenazine-Bromanilicacid","Phenazine-Bromanilicacid","","- C18 H10 Br2 N2 O4 -","- C18 H10 Br2 N2 O4 -","- C36 H20 Br4 N4 O8 -","2","0.5","","Reiji Kumai; Sachio Horiuchi; Hajime Sagayama; Taka-hisa Arima; Masashi Watanabe; Yukio Noda; Yoshinori Tokura","Structural Assignment of Polarization in Hydrogen-Bonded Supramolecular Ferroelectrics","Journal of the American Chemical Society","2007","129","","12920","12921","10.1021/ja075406r","","neutron","1.243","Neutron","","0.0498","0.0427","","","0.0933","0.1054","","","","","","1.123","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110106","12.371","0.004","3.845","0.003","17.342","0.005","90","","107.74","0.02","90","","785.7","0.7","110","1","110","1","","","","","","","","5","P 1 21 1","P 2yb","4","Phenazine-Bromanilicacid","Phenazine-Bromanilicacid","","- C18 H10 Br2 N2 O4 -","- C18 H10 Br2 N2 O4 -","- C36 H20 Br4 N4 O8 -","2","1","","Reiji Kumai; Sachio Horiuchi; Hajime Sagayama; Taka-hisa Arima; Masashi Watanabe; Yukio Noda; Yoshinori Tokura","Structural Assignment of Polarization in Hydrogen-Bonded Supramolecular Ferroelectrics","Journal of the American Chemical Society","2007","129","","12920","12921","10.1021/ja075406r","","neutron","1.2453","Neutron","","0.0397","0.0387","","","0.0937","0.0947","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110107","9.3519","0.0007","9.8917","0.0008","14.0682","0.0011","93.853","0.002","104.897","0.002","108.327","0.002","1178.22","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H32 B9 N O2 Zr -","- C17 H32 B9 N O2 Zr -","- C34 H64 B18 N2 O4 Zr2 -","2","1","","Hao Shen; Hoi-Shan Chan; Zuowei Xie","Reaction of [σ:η5-(C9H6)C2B9H10]Zr(NMe2)(DME) with Guanidines: Metallacarborane-Mediated C-N Bond Cleavage and 1,5-Sigmatropic Rearrangement","Journal of the American Chemical Society","2007","129","","12934","12935","10.1021/ja0754498","","","0.71073","MoKα","","0.0781","0.066","","","0.1912","0.1999","","","","","","1.17","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110108","20.613","0.004","19.343","0.004","21.189","0.004","90","","118.46","0.03","90","","7427","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H57 B9 N6 Zr -","- C29 H57 B9 N6 Zr -","- C232 H456 B72 N48 Zr8 -","8","2","","Hao Shen; Hoi-Shan Chan; Zuowei Xie","Reaction of [σ:η5-(C9H6)C2B9H10]Zr(NMe2)(DME) with Guanidines: Metallacarborane-Mediated C-N Bond Cleavage and 1,5-Sigmatropic Rearrangement","Journal of the American Chemical Society","2007","129","","12934","12935","10.1021/ja0754498","","","0.71073","MoKα","","0.1316","0.0875","","","0.2258","0.2943","","","","","","1.156","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110109","15.9845","0.0018","11.8691","0.0014","21.506","0.003","90","","93.426","0.003","90","","4072.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 B9 N5 Zr -","- C34 H58 B9 N5 Zr -","- C136 H232 B36 N20 Zr4 -","4","1","","Hao Shen; Hoi-Shan Chan; Zuowei Xie","Reaction of [σ:η5-(C9H6)C2B9H10]Zr(NMe2)(DME) with Guanidines: Metallacarborane-Mediated C-N Bond Cleavage and 1,5-Sigmatropic Rearrangement","Journal of the American Chemical Society","2007","129","","12934","12935","10.1021/ja0754498","","","0.71073","MoKα","","0.1138","0.0686","","","0.1651","0.1981","","","","","","0.932","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110110","11.3305","0.0013","15.3191","0.0018","28.606","0.003","90","","100.053","0.003","90","","4889","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H74 B9 N5 Zr -","- C46 H74 B9 N5 Zr -","- C184 H296 B36 N20 Zr4 -","4","1","","Hao Shen; Hoi-Shan Chan; Zuowei Xie","Reaction of [σ:η5-(C9H6)C2B9H10]Zr(NMe2)(DME) with Guanidines: Metallacarborane-Mediated C-N Bond Cleavage and 1,5-Sigmatropic Rearrangement","Journal of the American Chemical Society","2007","129","","12934","12935","10.1021/ja0754498","","","0.71073","MoKα","","0.0857","0.0446","","","0.1047","0.1292","","","","","","1.059","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110111","10.992","0.002","16.856","0.003","18.66","0.004","90","","98.78","0.03","90","","3416.8","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H50 B9 N5 Zr -","- C27 H50 B9 N5 Zr -","- C108 H200 B36 N20 Zr4 -","4","1","","Hao Shen; Hoi-Shan Chan; Zuowei Xie","Reaction of [σ:η5-(C9H6)C2B9H10]Zr(NMe2)(DME) with Guanidines: Metallacarborane-Mediated C-N Bond Cleavage and 1,5-Sigmatropic Rearrangement","Journal of the American Chemical Society","2007","129","","12934","12935","10.1021/ja0754498","","","0.71073","MoKα","","0.0972","0.0474","","","0.1171","0.1347","","","","","","1.009","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110112","21.341","0.004","22.538","0.005","16.423","0.003","90","","92.19","0.03","90","","7893","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H54 B9 N5 Zr -","- C29 H54 B9 N5 Zr -","- C232 H432 B72 N40 Zr8 -","8","2","","Hao Shen; Hoi-Shan Chan; Zuowei Xie","Reaction of [σ:η5-(C9H6)C2B9H10]Zr(NMe2)(DME) with Guanidines: Metallacarborane-Mediated C-N Bond Cleavage and 1,5-Sigmatropic Rearrangement","Journal of the American Chemical Society","2007","129","","12934","12935","10.1021/ja0754498","","","0.71073","MoKα","","0.202","0.087","","","0.2606","0.3301","","","","","","1.013","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110113","11.4278","0.0014","13.7018","0.0017","17.121","0.002","109.726","0.002","102.317","0.002","95.824","0.003","2421.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H74 B9 N5 O Zr -","- C43 H74 B9 N5 O Zr -","- C86 H148 B18 N10 O2 Zr2 -","2","1","","Hao Shen; Hoi-Shan Chan; Zuowei Xie","Reaction of [σ:η5-(C9H6)C2B9H10]Zr(NMe2)(DME) with Guanidines: Metallacarborane-Mediated C-N Bond Cleavage and 1,5-Sigmatropic Rearrangement","Journal of the American Chemical Society","2007","129","","12934","12935","10.1021/ja0754498","","","0.71073","MoKα","","0.0884","0.0549","","","0.1252","0.1495","","","","","","0.994","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110114","13.0591","0.0002","9.8448","0.0002","8.9487","0.0002","90","","93.0748","0.0007","90","","1148.83","0.04","93.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Br F6 N O2 S -","- C8 H4 Br F6 N O2 S -","- C32 H16 Br4 F24 N4 O8 S4 -","4","1","","Masahito Ochiai; Takao Kaneaki; Norihiro Tada; Kazunori Miyamoto; Hiroshi Chuman; Motoo Shiro; Satoko Hayashi; Waro Nakanishi","A New Type of Imido Group Donor: Synthesis and Characterization of Sulfonylimino-λ3-bromane that Acts as a Nitrenoid in the Aziridination of Olefins at Room Temperature under Metal-Free Conditions","Journal of the American Chemical Society","2007","129","","12938","12939","10.1021/ja075811i","","","1.54187","CuKα","","","0.0293","","","","0.0734","","","","","","1.115","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110115","22.6163","0.0005","9.1104","0.0002","15.1209","0.0003","90","","126.134","0.001","90","","2516.25","0.1","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C25 H28 Cl N O4 Si -","- C25 H28 Cl N O4 Si -","- C100 H112 Cl4 N4 O16 Si4 -","4","1","","Mary R. Garrett; James C. Tarr; Jeffrey S. Johnson","Enantioselective Metallophosphite-Catalyzed C-Acylation of Nitrones","Journal of the American Chemical Society","2007","129","","12944","12945","10.1021/ja076095n","","","0.71073","MoKα","","0.0323","0.0304","","","0.0782","0.0799","","","","","","1.042","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110116","9.2609","0.0012","10.9845","0.0014","15.0837","0.0019","90","","90","","90","","1534.4","0.3","90","1","90","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","sulfonamide2","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","","Wei Zeng; Sherry R. Chemler","Copper(II)-Catalyzed Enantioselective Intramolecular Carboamination of Alkenes","Journal of the American Chemical Society","2007","129","","12948","12949","10.1021/ja0762240","","x-ray","0.71073","MoKα","","0.0249","0.0245","","","0.0703","0.0708","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110117","11.2301","0.0008","9.3234","0.0007","22.775","0.0017","90","","92.51","0.002","90","","2382.3","0.3","90","1","90","1","","","","","","","","5","P 1 21 1","P 2yb","4","sulfonamide1","","","- C11 H15 N O2 S2 -","- C11 H15 N O2 S2 -","- C88 H120 N8 O16 S16 -","8","4","","Wei Zeng; Sherry R. Chemler","Copper(II)-Catalyzed Enantioselective Intramolecular Carboamination of Alkenes","Journal of the American Chemical Society","2007","129","","12948","12949","10.1021/ja0762240","","x-ray","0.71073","MoKα","","0.0317","0.0309","","","0.0796","0.0802","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110118","6.2677","0.0002","11.085","0.0004","34.9451","0.0015","90","","90","","90","","2427.9","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Br2 O5 -","- C27 H24 Br2 O5 -","- C108 H96 Br8 O20 -","4","1","","Axel B. Machotta; Bernd F. Straub; Martin Oestreich","Oxygen Donor-Mediated Equilibration of Diastereomeric Alkene-Palladium(II) Intermediates in Enantioselective Desymmetrizing Heck Cyclizations","Journal of the American Chemical Society","2007","129","","13455","13463","10.1021/ja072571y","","","0.71073","MoKα","","0.0871","0.04","","","0.0506","0.0588","","","","","","0.882","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110119","6.4091","0.0013","14.59","0.003","18.406","0.004","90.37","0.03","94.69","0.03","100.75","0.03","1684.8","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","2","","Jie Huang; Chunrui Wu; William D. Wulff","Total Synthesis of (\±)-Phomactin B2 via an Intramolecular Cyclohexadienone Annulation of a Chromium Carbene Complex","Journal of the American Chemical Society","2007","129","","13366","13367","10.1021/ja074275r","","","0.71073","MoKα","","0.062","0.0514","","","0.1508","0.1559","","","","","","1.093","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110120","12.384","0.003","12.584","0.003","18.686","0.004","90","","107.07","0.03","90","","2783.7","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 O3 Si -","- C28 H46 O3 Si -","- C112 H184 O12 Si4 -","4","1","","Jie Huang; Chunrui Wu; William D. Wulff","Total Synthesis of (\±)-Phomactin B2 via an Intramolecular Cyclohexadienone Annulation of a Chromium Carbene Complex","Journal of the American Chemical Society","2007","129","","13366","13367","10.1021/ja074275r","","","0.71073","MoKα","","0.0857","0.0495","","","0.1429","0.1602","","","","","","1.011","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110121","11.515","0.004","13.02","0.005","12.428","0.004","90","","98.304","0.013","90","","1843.7","1.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 B F2 N2 O2 -","- C23 H17 B F2 N2 O2 -","- C92 H68 B4 F8 N8 O8 -","4","1","","Hiromitsu Maeda; Yohei Haketa; Takashi Nakanishi","Aryl-Substituted C3-Bridged Oligopyrroles as Anion Receptors for Formation of Supramolecular Organogels","Journal of the American Chemical Society","2007","129","","13661","13674","10.1021/ja074435z","","","0.71075","MoKα","","0.0464","0.0368","","","0.0906","0.0947","","","","","","1.091","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110122","12.443","0.006","13.305","0.005","25.211","0.009","90","","102.175","0.017","90","","4080","3","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H21 B F2 N2 O2 -","- C25 H21 B F2 N2 O2 -","- C200 H168 B8 F16 N16 O16 -","8","2","","Hiromitsu Maeda; Yohei Haketa; Takashi Nakanishi","Aryl-Substituted C3-Bridged Oligopyrroles as Anion Receptors for Formation of Supramolecular Organogels","Journal of the American Chemical Society","2007","129","","13661","13674","10.1021/ja074435z","","","0.71075","MoKα","","0.123","0.0641","","","0.1865","0.2475","","","","","","1.005","","","","has coordinates,has disorder","178872","2020-10-21","18:00:00",""
"4110123","14.768","0.006","12.991","0.005","26.114","0.01","90","","101.722","0.015","90","","4906","3","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H52 B2 Cl2 F4 N4 O4 -","- C55 H52 B2 Cl2 F4 N4 O4 -","- C220 H208 B8 Cl8 F16 N16 O16 -","4","1","","Hiromitsu Maeda; Yohei Haketa; Takashi Nakanishi","Aryl-Substituted C3-Bridged Oligopyrroles as Anion Receptors for Formation of Supramolecular Organogels","Journal of the American Chemical Society","2007","129","","13661","13674","10.1021/ja074435z","","","0.71075","MoKα","","0.1529","0.087","","","0.2129","0.2675","","","","","","1.016","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110124","11.57","0.008","13.387","0.007","12.969","0.006","90","","97.95","0.02","90","","1989","2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 B F2 N2 O2 -","- C25 H21 B F2 N2 O2 -","- C100 H84 B4 F8 N8 O8 -","4","1","","Hiromitsu Maeda; Yohei Haketa; Takashi Nakanishi","Aryl-Substituted C3-Bridged Oligopyrroles as Anion Receptors for Formation of Supramolecular Organogels","Journal of the American Chemical Society","2007","129","","13661","13674","10.1021/ja074435z","","","0.71075","MoKα","","0.1119","0.0773","","","0.2184","0.248","","","","","","1.072","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110125","19.008","0.003","19.009","0.004","28.644","0.005","108.952","0.007","91.954","0.006","96.686","0.006","9694","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29.3 H29.6 B Cl0.286 F2 N2 O7.78 -","- C29.2857 H29.5714 B Cl0.285714 F2 N2 O8.20571 -","- C410 H414 B14 Cl4 F28 N28 O114.88 -","14","7","","Hiromitsu Maeda; Yohei Haketa; Takashi Nakanishi","Aryl-Substituted C3-Bridged Oligopyrroles as Anion Receptors for Formation of Supramolecular Organogels","Journal of the American Chemical Society","2007","129","","13661","13674","10.1021/ja074435z","","","0.71075","MoKα","","0.2363","0.1019","","","0.2457","0.3422","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110126","12.775","0.004","8.536","0.003","35.084","0.011","90","","92.675","0.011","90","","3822","2","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H49 B Cl3 F2 N3 O2 -","- C37 H49 B Cl3 F2 N3 O2 -","- C148 H196 B4 Cl12 F8 N12 O8 -","4","1","","Hiromitsu Maeda; Yohei Haketa; Takashi Nakanishi","Aryl-Substituted C3-Bridged Oligopyrroles as Anion Receptors for Formation of Supramolecular Organogels","Journal of the American Chemical Society","2007","129","","13661","13674","10.1021/ja074435z","","","0.71075","MoKα","","0.2008","0.0724","","","0.119","0.1535","","","","","","0.856","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110127","12.138","0.003","20.055","0.006","20.264","0.005","85.48","0.011","78.711","0.009","80.498","0.01","4765","2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H67 B Cl2 F2 N3 O8 -","- C46 H67 B Cl2 F2 N3 O8 -","- C184 H268 B4 Cl8 F8 N12 O32 -","4","2","","Hiromitsu Maeda; Yohei Haketa; Takashi Nakanishi","Aryl-Substituted C3-Bridged Oligopyrroles as Anion Receptors for Formation of Supramolecular Organogels","Journal of the American Chemical Society","2007","129","","13661","13674","10.1021/ja074435z","","","0.71075","MoKα","","0.1712","0.0816","","","0.1919","0.2359","","","","","","1.032","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110128","19.8783","0.0001","19.8783","0.0001","19.8783","0.0001","90","","90","","90","","7854.85","0.07","100","2","100","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C31 H42 Mg2 N2 O18 -","- C30 H39 Mg2 O15 -","- C240 H312 Mg16 O120 -","8","0.333333","","Jeffrey A. Rood; William C. Boggess; Bruce C. Noll; Kenneth W. Henderson","Assembly of a Homochiral, Body-Centered Cubic Network Composed of Vertex-Shared Mg12 Cages: Use of Electrospray Ionization Mass Spectrometry to Monitor Metal Carboxylate Nucleation","Journal of the American Chemical Society","2007","129","","13675","13682","10.1021/ja074558j","","","1.54178","CuKα","","0.0578","0.0571","","","0.1686","0.1694","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110129","16.0139","0.0003","18.4185","0.0004","6.397","0.0001","90","","90","","90","","1886.81","0.06","296","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16 H30 Mg O8 -","- C16 H30 Mg O8 -","- C64 H120 Mg4 O32 -","4","1","","Jeffrey A. Rood; William C. Boggess; Bruce C. Noll; Kenneth W. Henderson","Assembly of a Homochiral, Body-Centered Cubic Network Composed of Vertex-Shared Mg12 Cages: Use of Electrospray Ionization Mass Spectrometry to Monitor Metal Carboxylate Nucleation","Journal of the American Chemical Society","2007","129","","13675","13682","10.1021/ja074558j","","","1.54178","CuKα","","0.0332","0.0301","","","0.0716","0.0721","","","","","","1.447","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110130","7.681","0.003","14.498","0.005","16.598","0.006","90","","97.326","0.005","90","","1833.3","1.2","243.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Cr Mn N8 O2 -","- C10 H17 Cr Mn N8 O2 -","- C40 H68 Cr4 Mn4 N32 O8 -","4","1","","Wakako Kaneko; Masaaki Ohba; Susumu Kitagawa","A Flexible Coordination Polymer Crystal Providing Reversible Structural and Magnetic Conversions","Journal of the American Chemical Society","2007","129","","13706","13712","10.1021/ja074915q","","","0.7107","MoKα","","","0.0612","","","","0.0792","","","","","","0.666","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110131","7.85","0.01","14.31","0.03","12.97","0.02","90","","90.1","0.03","90","","1457","4","343.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Cr Mn N8 -","- C10.05 H13 Cr Mn N8 -","- C40.2 H52 Cr4 Mn4 N32 -","4","1","","Wakako Kaneko; Masaaki Ohba; Susumu Kitagawa","A Flexible Coordination Polymer Crystal Providing Reversible Structural and Magnetic Conversions","Journal of the American Chemical Society","2007","129","","13706","13712","10.1021/ja074915q","","","0.7107","MoKα","","","0.0957","","","","0.1146","","","","","","1.174","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110132","9.628","0.003","12.277","0.003","12.009","0.003","90","","92.147","0.004","90","","1418.5","0.7","273","2","273","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C26 H42 Li2 N4 -","- C26 H42 Li2 N4 -","- C52 H84 Li4 N8 -","2","0.5","","Brandon Quillian; Yuzhong Wang; Pingrong Wei; Chaitanya S. Wannere; Paul V. R. Schleyer; Gregory H. Robinson","Gallepins. Neutral Gallium Analogues of the Tropylium Ion: Synthesis, Structure, and Aromaticity","Journal of the American Chemical Society","2007","129","","13380","13381","10.1021/ja075428d","","","0.71073","MoKα","","0.128","0.0561","","","0.1581","0.2043","","","","","","1.011","","","","has coordinates,has disorder","178872","2020-10-21","18:00:00",""
"4110133","26.8548","0.001","7.6807","0.0003","16.9633","0.0006","90","","113.404","0.001","90","","3211","0.2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 Cl2 Ga2 N2 -","- C34 H36 Cl2 Ga2 N2 -","- C136 H144 Cl8 Ga8 N8 -","4","0.5","","Brandon Quillian; Yuzhong Wang; Pingrong Wei; Chaitanya S. Wannere; Paul V. R. Schleyer; Gregory H. Robinson","Gallepins. Neutral Gallium Analogues of the Tropylium Ion: Synthesis, Structure, and Aromaticity","Journal of the American Chemical Society","2007","129","","13380","13381","10.1021/ja075428d","","","0.71073","MoKα","","0.0371","0.0261","","","0.0642","0.0693","","","","","","1.012","","","","has coordinates,has disorder","178872","2020-10-21","18:00:00",""
"4110134","49.557","0.002","28.581","0.0011","27.063","0.0011","90","","90","","90","","38332","3","100","1","100","1","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C246 H253 Cl38 Cu26 Fe13 N10 O2 P65 -","- C246 H226 Cl38 Cu26 Fe13 N10 O2 P65 -","- C984 H904 Cl152 Cu104 Fe52 N40 O8 P260 -","4","0.5","","Manfred Scheer; Andrea Schindler; Roger Merkle; Brian P. Johnson; Michael Linseis; Rainer Winter; Christopher E. Anson; Alexander V. Virovets","Fullerene C60 as an Endohedral Molecule within an Inorganic Supramolecule","Journal of the American Chemical Society","2007","129","","13386","13387","10.1021/ja075926m","","","0.71073","MoKα","","0.2575","0.1115","","","0.3187","0.3917","","","","","","0.997","","","","has coordinates,has disorder","178872","2020-10-21","18:00:00",""
"4110135","12.795","0.004","13.528","0.005","18.54","0.006","80.228","0.005","87.238","0.006","89.993","0.005","3158.8","1.8","193","2","193","2","","","","","","","chemical synthesis","5","P 1","P 1","1","","","","- C14 H13 Br N2 O -","- C14 H13 Br N2 O -","- C140 H130 Br10 N20 O10 -","10","10","","Izzat T. Raheem; Parvinder S. Thiara; Emily A. Peterson; Eric N. Jacobsen","Enantioselective Pictet-Spengler-Type Cyclizations of Hydroxylactams: H-Bond Donor Catalysis by Anion Binding","Journal of the American Chemical Society","2007","129","","13404","13405","10.1021/ja076179w","","","0.71073","MoKα","","0.0797","0.0436","","","0.0927","0.1072","","","","","","0.931","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110136","4.978","0.002","23.537","0.01","8.118","0.004","90","","103.978","0.006","90","","923","0.7","148","","148","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O2 -","- C12 H12 O2 -","- C48 H48 O8 -","4","1","","Paul A. Wender; Justin P. Christy","Nickel(0)-Catalyzed [2 + 2 + 2 + 2] Cycloadditions of Terminal Diynes for the Synthesis of Substituted Cyclooctatetraenes","Journal of the American Chemical Society","2007","129","","13402","13403","10.1021/ja0763044","","","0.71073","MoKα","","0.0576","0.0387","","","0.0919","0.0998","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110137","11.108","0.002","13.109","0.002","15.107","0.003","89.981","0.002","109.888","0.002","95.894","0.002","2056.3","0.6","128","","128","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 O8.5 -","- C22 H24 O8.25 -","- C88 H96 O33 -","4","2","","Paul A. Wender; Justin P. Christy","Nickel(0)-Catalyzed [2 + 2 + 2 + 2] Cycloadditions of Terminal Diynes for the Synthesis of Substituted Cyclooctatetraenes","Journal of the American Chemical Society","2007","129","","13402","13403","10.1021/ja0763044","","","0.71073","MoKα","","0.0719","0.0435","","","0.107","0.121","","","","","","1.016","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110138","4.8412","0.0003","12.2193","0.0009","27.993","0.002","90","","92.191","0.001","90","","1654.7","0.2","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","07213","","","- C24 H20 -","- C24 H20 -","- C96 H80 -","4","1","","Paul A. Wender; Justin P. Christy","Nickel(0)-Catalyzed [2 + 2 + 2 + 2] Cycloadditions of Terminal Diynes for the Synthesis of Substituted Cyclooctatetraenes","Journal of the American Chemical Society","2007","129","","13402","13403","10.1021/ja0763044","","","0.71073","MoKα","","0.0834","0.0463","","","0.1037","0.1235","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110139","4.2896","0.0003","5.9991","0.0004","15.3706","0.001","80.976","0.003","84.419","0.004","88.344","0.003","388.76","0.05","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","NSoximeBr 4-Br-F4-PhCH=NOH","","- C7 H2 Br F4 N O -","- C7 H2 Br F4 N O -","- C14 H4 Br2 F8 N2 O2 -","2","1","","Christer B. Aakeröy; Meg Fasulo; Nate Schultheiss; John Desper; Curtis Moore","Structural Competition between Hydrogen Bonds and Halogen Bonds","Journal of the American Chemical Society","2007","129","","13772","13773","10.1021/ja073201c","","","0.71073","MoKα","","0.0275","0.0215","","","0.0429","0.0453","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110140","4.3885","0.0001","6.0001","0.0001","31.9307","0.0007","90","","93.903","0.001","90","","838.83","0.03","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","NSoximeI 4-I-F4-PhCH=NOH","","- C7 H2 F4 I N O -","- C7 H2 F4 I N O -","- C28 H8 F16 I4 N4 O4 -","4","1","","Christer B. Aakeröy; Meg Fasulo; Nate Schultheiss; John Desper; Curtis Moore","Structural Competition between Hydrogen Bonds and Halogen Bonds","Journal of the American Chemical Society","2007","129","","13772","13773","10.1021/ja073201c","","","0.71073","MoKα","","0.0276","0.0254","","","0.0485","0.0495","","","","","","1.252","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110141","6.8616","0.0008","7.6589","0.0008","34.632","0.004","90","","90","","90","","1820","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","MF-24-57 1-methyl-2-(4-pyridyl)benzimidazole, F5-benzaldehyde oxime","","- C20 H13 F5 N4 O -","- C20 H13 F5 N4 O -","- C80 H52 F20 N16 O4 -","4","1","","Christer B. Aakeröy; Meg Fasulo; Nate Schultheiss; John Desper; Curtis Moore","Structural Competition between Hydrogen Bonds and Halogen Bonds","Journal of the American Chemical Society","2007","129","","13772","13773","10.1021/ja073201c","","","0.71073","MoKα","","0.071","0.0482","","","0.1104","0.1212","","","","","","0.991","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110142","6.8554","0.0003","7.9485","0.0004","34.9508","0.0015","90","","90","","90","","1904.47","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","MF-24-58 1-methyl-2-(4-pyridyl)benzimidazole, 4-Br-F4-PhCH=NOH","","- C20 H13 Br F4 N4 O -","- C20 H13 Br F4 N4 O -","- C80 H52 Br4 F16 N16 O4 -","4","1","","Christer B. Aakeröy; Meg Fasulo; Nate Schultheiss; John Desper; Curtis Moore","Structural Competition between Hydrogen Bonds and Halogen Bonds","Journal of the American Chemical Society","2007","129","","13772","13773","10.1021/ja073201c","","","0.71073","MoKα","","0.0476","0.0317","","","0.0658","0.0709","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110143","7.2257","0.0005","10.0969","0.0008","13.752","0.0011","81.535","0.006","81.846","0.004","74.495","0.004","950.72","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","MF-24-57 1-methyl-2-(4-pyridyl)benzimidazole, 4-I-F4-PhCH=NOH","","- C20 H13 F4 I N4 O -","- C20 H13 F4 I N4 O -","- C40 H26 F8 I2 N8 O2 -","2","1","","Christer B. Aakeröy; Meg Fasulo; Nate Schultheiss; John Desper; Curtis Moore","Structural Competition between Hydrogen Bonds and Halogen Bonds","Journal of the American Chemical Society","2007","129","","13772","13773","10.1021/ja073201c","","","0.71073","MoKα","","0.0664","0.0604","","","0.1715","0.1796","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110144","26.035","0.005","13.18","0.005","12.91","0.005","90","","116.6","0.01","90","","3961","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 Mn3 Mo2 N16 O6 -","- C24 H36 Mn3 Mo2 N16 O6 -","- C96 H144 Mn12 Mo8 N64 O24 -","4","0.5","","Julie Milon; Marie-Christine Daniel; Abdellah Kaiba; Philippe Guionneau; Stéphane Brandès; Jean-Pascal Sutter","Nanoporous Magnets of Chiral and Racemic [{Mn(HL)}2Mn{Mo(CN)7}2] with Switchable Ordering Temperatures (TC= 85 K \λeftarrow→106 K) Driven by H2O Sorption (L = N,N-Dimethylalaninol)","Journal of the American Chemical Society","2007","129","","13872","13878","10.1021/ja073612t","","","0.71069","MoKα","","0.0437","0.0372","","","0.0954","0.0992","","","","","","1.037","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110145","26.085","0.005","13.16","0.002","12.889","0.002","90","","116.32","0.01","90","","3965.8","1.2","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H36 Mn3 Mo2 N16 O6 -","- C24 H36 Mn3 Mo2 N16 O6 -","- C96 H144 Mn12 Mo8 N64 O24 -","4","1","","Julie Milon; Marie-Christine Daniel; Abdellah Kaiba; Philippe Guionneau; Stéphane Brandès; Jean-Pascal Sutter","Nanoporous Magnets of Chiral and Racemic [{Mn(HL)}2Mn{Mo(CN)7}2] with Switchable Ordering Temperatures (TC= 85 K \λeftarrow→106 K) Driven by H2O Sorption (L = N,N-Dimethylalaninol)","Journal of the American Chemical Society","2007","129","","13872","13878","10.1021/ja073612t","","","0.71069","MoKα","","0.0337","0.0289","","","0.0688","0.0716","","","","","","1.032","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110146","6.5209","0.0002","10.761","0.0002","7.3062","0.0002","90","","102.058","0.002","90","","501.37","0.02","20","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N8 O8 -","- C4 H8 N8 O8 -","- C8 H16 N16 O16 -","2","0.5","","Elizabeth A. Zhurova; Vladimir V. Zhurov; A. Alan Pinkerton","Structure and Bonding in β-HMX-Characterization of a Trans-Annular N...N Interaction","Journal of the American Chemical Society","2007","129","","13887","13893","10.1021/ja073801b","","","0.71073","MoKα","","","0.0111","","","","0.0093","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110147","8.3155","0.0007","13.3176","0.0011","11.1314","0.0009","90","","90","","90","","1232.72","0.18","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Cs F5 Na Nb O -","- Cs F5 Na Nb O -","- Cs8 F40 Na8 Nb8 O8 -","8","1","","Michael R. Marvel; Julien Lesage; Jaewook Baek; P. Shiv Halasyamani; Charlotte L. Stern; Kenneth R. Poeppelmeier","Cation-Anion Interactions and Polar Structures in the Solid State","Journal of the American Chemical Society","2007","129","","13963","13969","10.1021/ja074659h","","","0.71073","MoKα","","0.0293","0.0266","","","0.0666","0.068","","","","","","1.132","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110148","11.8653","0.0011","5.8826","0.0006","8.1258","0.0008","90","","90","","90","","567.17","0.1","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F5 K Na Nb O -","- F5 K Na Nb O -","- F20 K4 Na4 Nb4 O4 -","4","1","","Michael R. Marvel; Julien Lesage; Jaewook Baek; P. Shiv Halasyamani; Charlotte L. Stern; Kenneth R. Poeppelmeier","Cation-Anion Interactions and Polar Structures in the Solid State","Journal of the American Chemical Society","2007","129","","13963","13969","10.1021/ja074659h","","","0.71073","MoKα","","0.0433","0.0419","","","0.1127","0.1132","","","","","","1.257","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110149","34.334","0.005","10.251","0.005","13.999","0.005","90","0.005","90","0.005","90","0.005","4927","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C42 H36 F24 N8 O0 P4 -","- C42 H36 F24 N8 P4 -","- C168 H144 F96 N32 P16 -","4","0.25","","Víctor Blanco; Marcos Chas; Dolores Abella; Carlos Peinador; José M. Quintela","Molecular Catenation via Metal-Directed Self-Assembly and π-Donor/π-Acceptor Interactions: Efficient One-Pot Synthesis, Characterization, and Crystal Structures of [3]Catenanes Based on Pd or Pt Dinuclear Metallocycles","Journal of the American Chemical Society","2007","129","","13978","13986","10.1021/ja074721a","","","0.71073","MoKα","","0.0782","0.065","","","0.1383","0.1479","","","","","","1.061","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110150","10.7113","0.0012","14.2665","0.0017","36.27","0.004","90","","98.144","0.002","90","","5486.6","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H50 F12 N7 O8 P2 -","- C51 H50 F12 N7 O8 P2 -","- C204 H200 F48 N28 O32 P8 -","4","1","","Víctor Blanco; Marcos Chas; Dolores Abella; Carlos Peinador; José M. Quintela","Molecular Catenation via Metal-Directed Self-Assembly and π-Donor/π-Acceptor Interactions: Efficient One-Pot Synthesis, Characterization, and Crystal Structures of [3]Catenanes Based on Pd or Pt Dinuclear Metallocycles","Journal of the American Chemical Society","2007","129","","13978","13986","10.1021/ja074721a","","","0.71073","MoKα","","0.1842","0.0806","","","0.188","0.2479","","","","","","0.985","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110151","16.779","0.005","21.728","0.005","19.777","0.005","90","0.005","108.108","0.005","90","0.005","6853","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H58 F24 N8 O11 P4 Pt -","- C51 H58 F24 N8 O11 P4 Pt -","- C204 H232 F96 N32 O44 P16 Pt4 -","4","1","","Víctor Blanco; Marcos Chas; Dolores Abella; Carlos Peinador; José M. Quintela","Molecular Catenation via Metal-Directed Self-Assembly and π-Donor/π-Acceptor Interactions: Efficient One-Pot Synthesis, Characterization, and Crystal Structures of [3]Catenanes Based on Pd or Pt Dinuclear Metallocycles","Journal of the American Chemical Society","2007","129","","13978","13986","10.1021/ja074721a","","","0.71073","MoKα","","0.1261","0.0882","","","0.2265","0.2581","","","","","","1.034","","","","has coordinates,has disorder","178872","2020-10-21","18:00:00",""
"4110152","15.821","0.004","16.112","0.004","19.211","0.004","111.089","0.004","100.668","0.004","98.214","0.004","4371.3","1.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C146 H140 F48 N26 O20 P8 Pd2 S0 -","- C146 H140 F48 N26 O20 P8 Pd2 -","- C146 H140 F48 N26 O20 P8 Pd2 -","1","0.5","","Víctor Blanco; Marcos Chas; Dolores Abella; Carlos Peinador; José M. Quintela","Molecular Catenation via Metal-Directed Self-Assembly and π-Donor/π-Acceptor Interactions: Efficient One-Pot Synthesis, Characterization, and Crystal Structures of [3]Catenanes Based on Pd or Pt Dinuclear Metallocycles","Journal of the American Chemical Society","2007","129","","13978","13986","10.1021/ja074721a","","","0.71073","MoKα","","0.0685","0.0547","","","0.1493","0.1606","","","","","","1.037","","","","has coordinates,has disorder","178872","2020-10-21","18:00:00",""
"4110153","38.981","0.005","21.921","0.005","24.767","0.005","90","0.005","125.982","0.005","90","0.005","17126","6","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C264 H280 F96 N38 O48 P16 Pt4 -","- C264 H280 F96 N38 O48 P16 Pt4 -","- C528 H560 F192 N76 O96 P32 Pt8 -","2","0.5","","Víctor Blanco; Marcos Chas; Dolores Abella; Carlos Peinador; José M. Quintela","Molecular Catenation via Metal-Directed Self-Assembly and π-Donor/π-Acceptor Interactions: Efficient One-Pot Synthesis, Characterization, and Crystal Structures of [3]Catenanes Based on Pd or Pt Dinuclear Metallocycles","Journal of the American Chemical Society","2007","129","","13978","13986","10.1021/ja074721a","","","0.71073","MoKα","","0.1005","0.066","","","0.1619","0.1909","","","","","","0.971","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110154","18.292","0.003","20.433","0.003","20.878","0.003","76.237","0.004","78.635","0.004","79.9","0.004","7362.8","1.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C112 H132 F29 N12 O42 P4 Pd2 S4 -","- C112 H132 F29 N12 O42 P4 Pd2 S4 -","- C224 H264 F58 N24 O84 P8 Pd4 S8 -","2","1","","Víctor Blanco; Marcos Chas; Dolores Abella; Carlos Peinador; José M. Quintela","Molecular Catenation via Metal-Directed Self-Assembly and π-Donor/π-Acceptor Interactions: Efficient One-Pot Synthesis, Characterization, and Crystal Structures of [3]Catenanes Based on Pd or Pt Dinuclear Metallocycles","Journal of the American Chemical Society","2007","129","","13978","13986","10.1021/ja074721a","","","0.71073","MoKα","","0.274","0.1589","","","0.4089","0.4637","","","","","","1.34","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110155","37.8491","0.001","37.8491","0.001","33.4157","0.0017","90","","90","","120","","41456","3","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C112.5 H136.25 F36 N12 O26 P6 Pd1.5 S0 -","- C112.5 H136.254 F36.06 N12 O26 P6.01 Pd1.5 -","- C1350 H1635.05 F432.72 N144 O312 P72.12 Pd18 -","12","0.666667","","Víctor Blanco; Marcos Chas; Dolores Abella; Carlos Peinador; José M. Quintela","Molecular Catenation via Metal-Directed Self-Assembly and π-Donor/π-Acceptor Interactions: Efficient One-Pot Synthesis, Characterization, and Crystal Structures of [3]Catenanes Based on Pd or Pt Dinuclear Metallocycles","Journal of the American Chemical Society","2007","129","","13978","13986","10.1021/ja074721a","","","0.71073","MoKα","","0.1882","0.0816","","","0.2154","0.2623","","","","","","0.918","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110156","27.761","0.004","18.604","0.003","10.2474","0.0015","90","","90","","90","","5292.4","1.4","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C51 H78 N8 O11 -","- C51 H78 N8 O11 -","- C204 H312 N32 O44 -","4","1","","Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman","Crystallographic Characterization of the α/β-Peptide 14/15-Helix","Journal of the American Chemical Society","2007","129","","13780","13781","10.1021/ja0753344","","","0.71073","Mo-Kα","","0.0518","0.0487","","","0.1326","0.1366","","","","","","1.005","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4110157","14.7772","0.0007","14.7772","0.0007","56.444","0.005","90","","90","","90","","12325.4","1.4","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C56 H90 N9 O13.5 -","- C56 H90 N9 O13.5 -","- C448 H720 N72 O108 -","8","1","","Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman","Crystallographic Characterization of the α/β-Peptide 14/15-Helix","Journal of the American Chemical Society","2007","129","","13780","13781","10.1021/ja0753344","","","0.71073","Mo-Kα","","0.0712","0.0617","","","0.1576","0.1638","","","","","","1.214","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4110158","10.704","0.006","12.403","0.008","14.597","0.009","102.176","0.015","91.346","0.019","112.839","0.012","1733.8","1.8","100","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H116 N4 Ni2 O2 -","- C74 H116 N4 Ni2 O2 -","- C74 H116 N4 Ni2 O2 -","1","0.5","","Chang Hoon Lee; David S. Laitar; Peter Mueller; Joseph P. Sadighi","Generation of a Doubly Bridging CO2 Ligand and Deoxygenation of CO2 by an (NHC)Ni(0) Complex","Journal of the American Chemical Society","2007","129","","13802","13803","10.1021/ja075630g","","","0.71073","MoKα","","0.0549","0.0413","","","0.1003","0.1074","","","","","","1.027","","","","has coordinates,has disorder","178872","2020-10-21","18:00:00",""
"4110159","13.154","0.003","14.404","0.003","27.869","0.005","90","","92.47","0.003","90","","5275.4","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H72 N4 Ni2 O3 -","- C56 H72 N4 Ni2 O3 -","- C224 H288 N16 Ni8 O12 -","4","1","","Chang Hoon Lee; David S. Laitar; Peter Mueller; Joseph P. Sadighi","Generation of a Doubly Bridging CO2 Ligand and Deoxygenation of CO2 by an (NHC)Ni(0) Complex","Journal of the American Chemical Society","2007","129","","13802","13803","10.1021/ja075630g","","","0.71073","MoKα","","0.0531","0.033","","","0.0708","0.0789","","","","","","1.017","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110160","28.1093","0.0017","17.2503","0.0011","20.5848","0.0012","90","","124.607","0.001","90","","8215.4","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H48 N4 Ni2 O3 -","- C44 H48 N4 Ni2 O3 -","- C352 H384 N32 Ni16 O24 -","8","1","","Chang Hoon Lee; David S. Laitar; Peter Mueller; Joseph P. Sadighi","Generation of a Doubly Bridging CO2 Ligand and Deoxygenation of CO2 by an (NHC)Ni(0) Complex","Journal of the American Chemical Society","2007","129","","13802","13803","10.1021/ja075630g","","","0.71073","MoKα","","0.0638","0.0404","","","0.0886","0.0987","","","","","","1.03","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110161","17.9874","0.0004","25.3631","0.0005","32.8163","0.0005","90","","90","","90","","14971.3","0.5","100","2","0","","","","","","","","","6","P n a 21","P 2c -2n","33","","dodecakis(μ~3~-Oxo)-hexadecakis(μ~2~-neopentanoato)-tetra-ethanol-tetra- manganese(iv)-octa-manganese(iii) chloroform solvate","","- C123.72 H82.4 Cl13.03 F16 Mn12 O48 -","- C123.725 H82.395 Cl13.028 F16 Mn12 O48 -","- C494.9 H329.58 Cl52.112 F64 Mn48 O192 -","4","1","","Michael Burgert; Sönke Voss; Simon Herr; Mikhail Fonin; Ulrich Groth; Ulrich Rüdiger","Single-Molecule Magnets: A New Approach To Investigate the Electronic Structure of Mn12 Molecules by Scanning Tunneling Spectroscopy","Journal of the American Chemical Society","2007","129","","14362","14366","10.1021/ja074884z","","","0.71073","MoKα","","0.1187","0.058","","","0.1174","0.1354","","","","","","0.815","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110162","14.6527","0.0014","4.1102","0.0004","37.163","0.004","90","","92.642","0.002","90","","2235.8","0.4","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C41 H50 Br2 N2 O S6 -","- C41 H46 Br2 N2 O S6 -","- C82 H92 Br4 N4 O2 S12 -","2","0.5","","Wai-Yeung Wong; Xing-Zhu Wang; Ze He; Kwok-Kwan Chan; Aleksandra B. Djurišić; Kai-Yin Cheung; Cho-Tung Yip; Alan Man-Ching Ng; Yan Yan Xi; Chris S. K. Mak; Wai-Kin Chan","Tuning the Absorption, Charge Transport Properties, and Solar Cell Efficiency with the Number of Thienyl Rings in Platinum-Containing Poly(aryleneethynylene)s","Journal of the American Chemical Society","2007","129","","14372","14380","10.1021/ja074959z","","","0.71073","MoKα","","0.0973","0.059","","","0.1428","0.1635","","","","","","1.026","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110163","17.079","0.006","12.092","0.004","16.206","0.005","90","","90","","90","","3346.9","1.9","173","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Tantalum","Tantalum tetra(dimethyl)amide Hydroamide","","- C10 H30 N5 O Ta -","- C10 H30 N5 O Ta -","- C80 H240 N40 O8 Ta8 -","8","2","","Shu-Jian Chen; Xin-Hao Zhang; Xianghua Yu; He Qiu; Glenn P. A. Yap; Ilia A. Guzei; Zhenyang Lin; Yun-Dong Wu; Zi-Ling Xue","Reaction of Ta(NMe2)5 with O2: Formation of Aminoxy and Unusual (Aminomethyl)amide Oxo Complexes and Theoretical Studies of the Mechanistic Pathways","Journal of the American Chemical Society","2007","129","","14408","14421","10.1021/ja075076a","","","0.71073","MoKα","","0.0536","0.0388","","","0.0945","0.1229","","","","","","1.163","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110164","8.273","0.009","13.077","0.014","16.25","0.017","90","","99.88","0.018","90","","1732","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tantalum","tantalum amide hydroamide","","- C10 H30 N5 O2 Ta -","- C10 H30 N5 O2 Ta -","- C40 H120 N20 O8 Ta4 -","4","1","","Shu-Jian Chen; Xin-Hao Zhang; Xianghua Yu; He Qiu; Glenn P. A. Yap; Ilia A. Guzei; Zhenyang Lin; Yun-Dong Wu; Zi-Ling Xue","Reaction of Ta(NMe2)5 with O2: Formation of Aminoxy and Unusual (Aminomethyl)amide Oxo Complexes and Theoretical Studies of the Mechanistic Pathways","Journal of the American Chemical Society","2007","129","","14408","14421","10.1021/ja075076a","","","0.71073","MoKα","","0.036","0.0248","","","0.062","0.0882","","","","","","1.167","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110165","11.435","0.006","13.712","0.008","8.616","0.005","90","","107.534","0.007","90","","1288.2","1.3","120","2","120","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H46 N8 O2 Ta2 -","- C16 H46 N8 O2 Ta2 -","- C32 H92 N16 O4 Ta4 -","2","0.25","","Shu-Jian Chen; Xin-Hao Zhang; Xianghua Yu; He Qiu; Glenn P. A. Yap; Ilia A. Guzei; Zhenyang Lin; Yun-Dong Wu; Zi-Ling Xue","Reaction of Ta(NMe2)5 with O2: Formation of Aminoxy and Unusual (Aminomethyl)amide Oxo Complexes and Theoretical Studies of the Mechanistic Pathways","Journal of the American Chemical Society","2007","129","","14408","14421","10.1021/ja075076a","","","0.71073","MoKα","","0.0576","0.0566","","","0.1576","0.1591","","","","","","1.06","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110166","9.8785","0.0005","11.5811","0.0005","19.2869","0.0009","77.972","0.001","82.666","0.001","66.618","0.001","1978.35","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H68 N11 O4 Ta3 -","- C22 H64 N11 O4 Ta3 -","- C44 H128 N22 O8 Ta6 -","2","1","","Shu-Jian Chen; Xin-Hao Zhang; Xianghua Yu; He Qiu; Glenn P. A. Yap; Ilia A. Guzei; Zhenyang Lin; Yun-Dong Wu; Zi-Ling Xue","Reaction of Ta(NMe2)5 with O2: Formation of Aminoxy and Unusual (Aminomethyl)amide Oxo Complexes and Theoretical Studies of the Mechanistic Pathways","Journal of the American Chemical Society","2007","129","","14408","14421","10.1021/ja075076a","","","0.71073","Mo-Kα","","0.0238","0.0201","","","0.0493","0.0505","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110167","10.055","0.0005","12.9426","0.0006","13.8766","0.0007","82.188","0.002","84.577","0.002","78.367","0.002","1748.17","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H43 B Ir N7 -","- C41 H43 B Ir N7 -","- C82 H86 B2 Ir2 N14 -","2","1","","Eleuterio Álvarez; Salvador Conejero; Patricia Lara; Jorge A. López; Margarita Paneque; Ana Petronilho; Manuel L. Poveda; Diego del Río; Oracio Serrano; Ernesto Carmona","Rearrangement of Pyridine to Its 2-Carbene Tautomer Mediated by Iridium","Journal of the American Chemical Society","2007","129","","14130","14131","10.1021/ja075685i","","","0.71073","MoKα","","0.0337","0.0271","","","0.0612","0.0641","","","","","","1.051","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110168","9.7191","0.0016","7.6773","0.0012","14.461","0.002","90","","100.581","0.004","90","","1060.7","0.3","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 N2 O5 S Si -","- C18 H26 N2 O5 S Si -","- C36 H52 N4 O10 S2 Si2 -","2","1","","Erin M. Forbeck; Cory D. Evans; John A. Gilleran; Pixu Li; Madeleine M. Joullié","A Regio- and Stereoselective Approach to Quaternary Centers from Chiral Trisubstituted Aziridines","Journal of the American Chemical Society","2007","129","","14463","14469","10.1021/ja0758077","","","0.71073","MoKα","","0.0534","0.0437","","","0.0931","0.101","","","","","","1.138","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110169","10.5237","0.0014","10.5852","0.0013","12.6006","0.0019","90","","104.634","0.003","90","","1358.1","0.3","143","1","143","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H31 Br N2 O6 S Si -","- C24 H31 Br N2 O6 S Si -","- C48 H62 Br2 N4 O12 S2 Si2 -","2","1","","Erin M. Forbeck; Cory D. Evans; John A. Gilleran; Pixu Li; Madeleine M. Joullié","A Regio- and Stereoselective Approach to Quaternary Centers from Chiral Trisubstituted Aziridines","Journal of the American Chemical Society","2007","129","","14463","14469","10.1021/ja0758077","","","0.71069","MoKα","","0.027","0.0203","","","0.0375","0.039","","","","","","0.807","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110170","17.5634","0.0015","7.9314","0.0006","15.64","0.0014","90","","105.345","0.002","90","","2101","0.3","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N2 O5 S Si -","- C18 H26 N2 O5 S Si -","- C72 H104 N8 O20 S4 Si4 -","4","1","","Erin M. Forbeck; Cory D. Evans; John A. Gilleran; Pixu Li; Madeleine M. Joullié","A Regio- and Stereoselective Approach to Quaternary Centers from Chiral Trisubstituted Aziridines","Journal of the American Chemical Society","2007","129","","14463","14469","10.1021/ja0758077","","","0.71069","MoKα","","0.068","0.0566","","","0.1821","0.201","","","","","","1.227","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110171","9.9782","0.0009","13.6465","0.0013","18.8212","0.0017","90","","90","","90","","2562.8","0.4","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N2 O6 S Si -","- C24 H32 N2 O6 S Si -","- C96 H128 N8 O24 S4 Si4 -","4","1","","Erin M. Forbeck; Cory D. Evans; John A. Gilleran; Pixu Li; Madeleine M. Joullié","A Regio- and Stereoselective Approach to Quaternary Centers from Chiral Trisubstituted Aziridines","Journal of the American Chemical Society","2007","129","","14463","14469","10.1021/ja0758077","","","0.71069","MoKα","","0.0402","0.037","","","0.0894","0.0929","","","","","","1.105","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110172","10.6317","0.0013","10.5468","0.0012","12.4854","0.0016","90","","105.631","0.003","90","","1348.2","0.3","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H34 N2 O6 S Si -","- C25 H34 N2 O6 S Si -","- C50 H68 N4 O12 S2 Si2 -","2","1","","Erin M. Forbeck; Cory D. Evans; John A. Gilleran; Pixu Li; Madeleine M. Joullié","A Regio- and Stereoselective Approach to Quaternary Centers from Chiral Trisubstituted Aziridines","Journal of the American Chemical Society","2007","129","","14463","14469","10.1021/ja0758077","","","0.71069","MoKα","","0.0328","0.0314","","","0.0742","0.0758","","","","","","1.066","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110173","10.4164","0.0008","10.692","0.0008","25.187","0.002","90","","90","","90","","2805.1","0.4","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N3 O6 S Si -","- C25 H31 N3 O6 S Si -","- C100 H124 N12 O24 S4 Si4 -","4","1","","Erin M. Forbeck; Cory D. Evans; John A. Gilleran; Pixu Li; Madeleine M. Joullié","A Regio- and Stereoselective Approach to Quaternary Centers from Chiral Trisubstituted Aziridines","Journal of the American Chemical Society","2007","129","","14463","14469","10.1021/ja0758077","","","0.71069","MoKα","","0.0426","0.0368","","","0.0754","0.0796","","","","","","1.09","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110174","10.6499","0.0017","9.4449","0.0016","10.9071","0.0018","90","","97.876","0.003","90","","1086.8","0.3","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl N3 O7 S -","- C18 H22 Cl N3 O7 S -","- C36 H44 Cl2 N6 O14 S2 -","2","1","","Erin M. Forbeck; Cory D. Evans; John A. Gilleran; Pixu Li; Madeleine M. Joullié","A Regio- and Stereoselective Approach to Quaternary Centers from Chiral Trisubstituted Aziridines","Journal of the American Chemical Society","2007","129","","14463","14469","10.1021/ja0758077","","","0.71069","MoKα","","0.0329","0.0315","","","0.0734","0.0749","","","","","","1.093","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110175","8.551","0.006","11.819","0.009","12.611","0.008","90","","99.94","0.02","90","","1255.4","1.5","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O7 S -","- C26 H24 N2 O7 S -","- C52 H48 N4 O14 S2 -","2","1","","Erin M. Forbeck; Cory D. Evans; John A. Gilleran; Pixu Li; Madeleine M. Joullié","A Regio- and Stereoselective Approach to Quaternary Centers from Chiral Trisubstituted Aziridines","Journal of the American Chemical Society","2007","129","","14463","14469","10.1021/ja0758077","","","0.71073","MoKα","","0.0411","0.0376","","","0.091","0.1014","","","","","","1.13","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110176","27.816","0.004","27.816","0.004","26.484","0.005","90","","90","","120","","17746","5","103","2","103","2","","","","","","","","5","P 63","P 6c","173","","","","- C258 H198 Mn15 N36 O60 -","- C258 H135 Mn15 N36 O60 -","- C516 H270 Mn30 N72 O120 -","2","0.333333","","Rohith P. John; Mira Park; Dohyun Moon; Kyungjin Lee; Seunghee Hong; Yang Zou; Chang Seop Hong; Myoung Soo Lah","A Chiral Pentadecanuclear Metallamacrocycle with a Sextuple Twisted Möbius Topology","Journal of the American Chemical Society","2007","129","","14142","14143","10.1021/ja075945w","","","0.7","synchrotron","","0.1341","0.0897","","","0.2418","0.2676","","","","","","0.859","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110177","8.958","0.003","11.008","0.004","19.141","0.011","78.74","0.04","78.76","0.04","66.24","0.04","1680","1.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","[L(Me)Cu(O2CC(O)Mes)]","","","- C38 H43 Cu N2 O3 -","- C38 H43 Cu N2 O3 -","- C76 H86 Cu2 N4 O6 -","2","1","","Sungjun Hong; Stefan M. Huber; Laura Gagliardi; Christopher C. Cramer; William B. Tolman","Copper(I)-α-Ketocarboxylate Complexes: Characterization and O2 Reactions That Yield Copper-Oxygen Intermediates Capable of Hydroxylating Arenes","Journal of the American Chemical Society","2007","129","","14190","14192","10.1021/ja0760426","","","0.71073","MoKα","","0.0513","0.0356","","","0.0893","0.1013","","","","","","1.059","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110178","10.2026","0.0012","12.1789","0.0014","15.242","0.0018","67.379","0.002","85.964","0.002","65.239","0.002","1578.2","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","[(N2Ph)Cu(BF)].CH2Cl2","","","- C34 H35 Cl2 Cu N2 O3 -","- C34 H35 Cl2 Cu N2 O3 -","- C68 H70 Cl4 Cu2 N4 O6 -","2","1","","Sungjun Hong; Stefan M. Huber; Laura Gagliardi; Christopher C. Cramer; William B. Tolman","Copper(I)-α-Ketocarboxylate Complexes: Characterization and O2 Reactions That Yield Copper-Oxygen Intermediates Capable of Hydroxylating Arenes","Journal of the American Chemical Society","2007","129","","14190","14192","10.1021/ja0760426","","","0.71073","MoKα","","0.0518","0.0378","","","0.0799","0.0853","","","","","","1.043","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110179","13.812","0.01","14.651","0.009","15.986","0.009","90","","109.14","0.03","90","","3056","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[(N2XY)Cu(BF)]","","","- C35 H37 Cu N2 O3 -","- C35 H37 Cu N2 O3 -","- C140 H148 Cu4 N8 O12 -","4","1","","Sungjun Hong; Stefan M. Huber; Laura Gagliardi; Christopher C. Cramer; William B. Tolman","Copper(I)-α-Ketocarboxylate Complexes: Characterization and O2 Reactions That Yield Copper-Oxygen Intermediates Capable of Hydroxylating Arenes","Journal of the American Chemical Society","2007","129","","14190","14192","10.1021/ja0760426","","","0.71073","MoKα","","0.0415","0.0303","","","0.0779","0.0866","","","","","","1.062","","","","has coordinates,has disorder","178872","2020-10-21","18:00:00",""
"4110180","10.1018","0.0011","11.7821","0.0013","12.884","0.0014","86.043","0.002","73.753","0.002","88.886","0.002","1468.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","[(L-mOMe)Cu(BF)]","","","- C34 H35 Cu N2 O4 -","- C34 H35 Cu N2 O4 -","- C68 H70 Cu2 N4 O8 -","2","1","","Sungjun Hong; Stefan M. Huber; Laura Gagliardi; Christopher C. Cramer; William B. Tolman","Copper(I)-α-Ketocarboxylate Complexes: Characterization and O2 Reactions That Yield Copper-Oxygen Intermediates Capable of Hydroxylating Arenes","Journal of the American Chemical Society","2007","129","","14190","14192","10.1021/ja0760426","","","0.71073","MoKα","","0.0644","0.0451","","","0.1067","0.1143","","","","","","1.061","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110181","13.4571","0.0011","13.8773","0.001","15.433","0.0012","90","","99.702","0.002","90","","2840.9","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(N2-XY)Cu(OTf)]","","","- C28 H32 Cu F3 N2 O3 S -","- C28 H32 Cu F3 N2 O3 S -","- C112 H128 Cu4 F12 N8 O12 S4 -","4","1","","Sungjun Hong; Stefan M. Huber; Laura Gagliardi; Christopher C. Cramer; William B. Tolman","Copper(I)-α-Ketocarboxylate Complexes: Characterization and O2 Reactions That Yield Copper-Oxygen Intermediates Capable of Hydroxylating Arenes","Journal of the American Chemical Society","2007","129","","14190","14192","10.1021/ja0760426","","","0.71073","MoKα","","0.0567","0.0509","","","0.1118","0.1157","","","","","","1.053","","","","has coordinates,has disorder","178872","2020-10-21","18:00:00",""
"4110182","15.6134","0.0008","17.8813","0.0007","14.8643","0.0007","90","","115.723","0.0005","90","","3738.7","0.3","296.1","","","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C22 H24 B2 Br Cl2 N16 O2 Ru2 -","- C22 H22 B2 Br Cl2 N16 O2 Ru2 -","- C88 H88 B8 Br4 Cl8 N64 O8 Ru8 -","4","0.5","","Yasuhiro Arikawa; Taiki Asayama; Yusuke Moriguchi; Shoko Agari; Masayoshi Onishi","Reversible N-N Coupling of NO Ligands on Dinuclear Ruthenium Complexes and Subsequent N2O Evolution: Relevance to Nitric Oxide Reductase","Journal of the American Chemical Society","2007","129","","14160","14161","10.1021/ja0763504","","","0.7107","MoKα","","","0.0337","","","","0.1011","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110183","16.198","0.002","14.5225","0.0019","16.624","0.002","90","","106.924","0.0002","90","","3741.2","0.8","296.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C29 H33 B2 Cl N16 O2 Ru2 -","- C29 H33 B2 Cl N16 O2 Ru2 -","- C116 H132 B8 Cl4 N64 O8 Ru8 -","4","1","","Yasuhiro Arikawa; Taiki Asayama; Yusuke Moriguchi; Shoko Agari; Masayoshi Onishi","Reversible N-N Coupling of NO Ligands on Dinuclear Ruthenium Complexes and Subsequent N2O Evolution: Relevance to Nitric Oxide Reductase","Journal of the American Chemical Society","2007","129","","14160","14161","10.1021/ja0763504","","","0.7107","MoKα","","","0.0354","","","","0.1053","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110184","11.3955","0.0007","30.7747","0.0014","11.7111","0.0007","90","","115.888","0.0007","90","","3694.9","0.4","296.1","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C21 H23 B4 Cl F8 N16 O2 Ru2 -","- C21 H23 B4 Cl F8 N16 O2 Ru2 -","- C84 H92 B16 Cl4 F32 N64 O8 Ru8 -","4","1","","Yasuhiro Arikawa; Taiki Asayama; Yusuke Moriguchi; Shoko Agari; Masayoshi Onishi","Reversible N-N Coupling of NO Ligands on Dinuclear Ruthenium Complexes and Subsequent N2O Evolution: Relevance to Nitric Oxide Reductase","Journal of the American Chemical Society","2007","129","","14160","14161","10.1021/ja0763504","","","0.7107","MoKα","","","0.0789","","","","0.2543","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110185","15.8308","0.0011","16.2176","0.0009","16.1017","0.0011","90","","107.992","0.0009","90","","3931.8","0.4","296.1","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C23 H24 B2 Br Cl7 N14 O Ru2 -","- C23 H23 B2 Br Cl7 N14 O Ru2 -","- C92 H92 B8 Br4 Cl28 N56 O4 Ru8 -","4","1","","Yasuhiro Arikawa; Taiki Asayama; Yusuke Moriguchi; Shoko Agari; Masayoshi Onishi","Reversible N-N Coupling of NO Ligands on Dinuclear Ruthenium Complexes and Subsequent N2O Evolution: Relevance to Nitric Oxide Reductase","Journal of the American Chemical Society","2007","129","","14160","14161","10.1021/ja0763504","","","0.7107","MoKα","","","0.0628","","","","0.1989","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110186","16.248","0.004","18.476","0.005","16.988","0.004","90","","94.269","0.005","90","","5086","2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H72 Cl2 Cr2 N4 -","- C52 H72 Cl2 Cr2 N4 -","- C208 H288 Cl8 Cr8 N16 -","4","1","","Kevin A. Kreisel; Glenn P. A. Yap; Olga Dmitrenko; Clark R. Landis; Klaus H. Theopold","The Shortest Metal-Metal Bond Yet: Molecular and Electronic Structure of a Dinuclear Chromium Diazadiene Complex","Journal of the American Chemical Society","2007","129","","14162","14163","10.1021/ja076356t","","","0.71073","MoKα","","0.1163","0.069","","","0.1373","0.1554","","","","","","1.061","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110187","22.387","0.008","9.742","0.003","24.917","0.007","90","","112.718","0.018","90","","5013","3","120","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H72 Cr2 N4 -","- C52 H72 Cr2 N4 -","- C208 H288 Cr8 N16 -","4","0.5","","Kevin A. Kreisel; Glenn P. A. Yap; Olga Dmitrenko; Clark R. Landis; Klaus H. Theopold","The Shortest Metal-Metal Bond Yet: Molecular and Electronic Structure of a Dinuclear Chromium Diazadiene Complex","Journal of the American Chemical Society","2007","129","","14162","14163","10.1021/ja076356t","","","0.71073","MoKα","","0.0549","0.047","","","0.1205","0.1282","","","","","","1.018","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110188","12.639","0.005","14.481","0.005","16.752","0.007","90","","105.982","0.006","90","","2948","2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-1,2-Bis{(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacene-4-yl)}- 1,2-diphenyldisilene","","- C68 H100 Si2 -","- C68 H100 Si2 -","- C136 H200 Si4 -","2","0.5","","Aiko Fukazawa; Yongming Li; Shigehiro Yamaguchi; Hayato Tsuji; Kohei Tamao","Coplanar Oligo(p-phenylenedisilenylene)s Based on the Octaethyl-Substituteds-Hydrindacenyl Groups","Journal of the American Chemical Society","2007","129","","14164","14165","10.1021/ja0764207","","","0.7107","MoKα","","0.0854","0.0779","","","0.1792","0.1835","","","","","","1.228","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110189","11.6011","0.0006","16.155","0.0008","17.1708","0.0009","114.671","0.001","99.85","0.002","95.161","0.002","2834","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1,4-Bis{1,2-Bis((E)-1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl) -2-phenyldisilenyl}benzene","","- C130 H194 Si4 -","- C130 H194 Si4 -","- C130 H194 Si4 -","1","0.5","","Aiko Fukazawa; Yongming Li; Shigehiro Yamaguchi; Hayato Tsuji; Kohei Tamao","Coplanar Oligo(p-phenylenedisilenylene)s Based on the Octaethyl-Substituteds-Hydrindacenyl Groups","Journal of the American Chemical Society","2007","129","","14164","14165","10.1021/ja0764207","","","0.71075","MoKα","","0.1669","0.1055","","","0.2568","0.3108","","","","","","1.024","","","","has coordinates,has disorder","178872","2020-10-21","18:00:00",""
"4110190","15.219","0.009","10.322","0.006","18.063","0.011","90","","91.762","0.013","90","","2836","3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Bis{(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)silyl}benzene","","- C62 H98 Si2 -","- C62 H98 Si2 -","- C124 H196 Si4 -","2","0.5","","Aiko Fukazawa; Yongming Li; Shigehiro Yamaguchi; Hayato Tsuji; Kohei Tamao","Coplanar Oligo(p-phenylenedisilenylene)s Based on the Octaethyl-Substituteds-Hydrindacenyl Groups","Journal of the American Chemical Society","2007","129","","14164","14165","10.1021/ja0764207","","","0.7107","MoKα","","0.0815","0.0717","","","0.135","0.1398","","","","","","1.189","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110191","15.1281","0.0001","15.1281","0.0001","7.716","0.0001","90","","90","","120","","1529.3","0.02","273","2","273","2","","","","","","","","4","P 32","P 32","145","","","","- C14 H18 Mn3 O12 -","- C14 H16 Mn3 O12 -","- C42 H48 Mn9 O36 -","3","1","","Jian Zhang; Shumei Chen; Henry Valle; Matthew Wong; Cristina Austria; Maria Cruz; Xianhui Bu","Manganese and Magnesium Homochiral Materials: Decoration of Honeycomb Channels with Homochiral Chains","Journal of the American Chemical Society","2007","129","","14168","14169","10.1021/ja076532y","","","0.71073","MoKα","","0.0932","0.0662","","","0.1568","0.1706","","","","","","1.043","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110192","14.8724","0.0003","14.8724","0.0003","7.3333","0.0004","90","","90","","120","","1404.73","0.09","273","2","273","2","","","","","","","","4","P 32","P 32","145","","","","- C14 H18 Mg3 O12 -","- C14 H15 Mg3 O12 -","- C42 H45 Mg9 O36 -","3","1","","Jian Zhang; Shumei Chen; Henry Valle; Matthew Wong; Cristina Austria; Maria Cruz; Xianhui Bu","Manganese and Magnesium Homochiral Materials: Decoration of Honeycomb Channels with Homochiral Chains","Journal of the American Chemical Society","2007","129","","14168","14169","10.1021/ja076532y","","","0.71073","MoKα","","0.098","0.0751","","","0.1901","0.2033","","","","","","1.021","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110193","9.6693","0.0002","13.2688","0.0003","13.2744","0.0003","90","","108.627","0.001","90","","1613.89","0.06","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H46 Mn2 N2 O10 -","- C28 H42 Mn2 N2 O10 -","- C56 H84 Mn4 N4 O20 -","2","1","","Jian Zhang; Shumei Chen; Henry Valle; Matthew Wong; Cristina Austria; Maria Cruz; Xianhui Bu","Manganese and Magnesium Homochiral Materials: Decoration of Honeycomb Channels with Homochiral Chains","Journal of the American Chemical Society","2007","129","","14168","14169","10.1021/ja076532y","","","0.71073","MoKα","","0.1032","0.0847","","","0.2273","0.2442","","","","","","1.053","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110194","8.8724","0.0003","13.7075","0.0005","14.4409","0.0006","90","","97.746","0.002","90","","1740.25","0.11","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H44 Mn3 N2 O14 -","- C28 H35 Mn3 N2 O14 -","- C56 H70 Mn6 N4 O28 -","2","1","","Jian Zhang; Shumei Chen; Henry Valle; Matthew Wong; Cristina Austria; Maria Cruz; Xianhui Bu","Manganese and Magnesium Homochiral Materials: Decoration of Honeycomb Channels with Homochiral Chains","Journal of the American Chemical Society","2007","129","","14168","14169","10.1021/ja076532y","","","0.71073","MoKα","","0.0726","0.0646","","","0.1722","0.1858","","","","","","0.991","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110195","6.8678","0.0011","12.566","0.002","12.782","0.002","90","","103.462","0.004","90","","1072.8","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 Mn2 O8 -","- C20 H28 Mn2 O8 -","- C40 H56 Mn4 O16 -","2","1","","Jian Zhang; Shumei Chen; Henry Valle; Matthew Wong; Cristina Austria; Maria Cruz; Xianhui Bu","Manganese and Magnesium Homochiral Materials: Decoration of Honeycomb Channels with Homochiral Chains","Journal of the American Chemical Society","2007","129","","14168","14169","10.1021/ja076532y","","","0.71073","MoKα","","0.0497","0.0389","","","0.0842","0.0886","","","","","","0.891","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110196","15.831","0.001","24.262","0.001","26.818","0.002","90","","91.52","0.01","90","","10296.9","1.1","198","2","198","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C98 H105.5 F3 K N12.5 O16 S Yb2 -","- C98 H103.5 F3 K N12.5 O16 S Yb2 -","- C392 H414 F12 K4 N50 O64 S4 Yb8 -","4","1","","Markus Albrecht; Olga Osetska; Roland Fröhlich; Jean-Claude G. Bünzli; Annina Aebischer; Frédéric Gumy; Josef Hamacek","Highly Efficient Near-IR Emitting Yb/Yb and Yb/Al Helicates","Journal of the American Chemical Society","2007","129","","14178","14179","10.1021/ja0768688","","","0.71073","MoKα","","0.2868","0.1398","","","0.3086","0.3867","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110197","10.6657","0.0011","15.3695","0.0017","38.351","0.004","90","","96.596","0.001","90","","6245.1","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H75 N4 P12 -","- C54 H75 N4 P12 -","- C216 H300 N16 P48 -","4","1","","Jason D. Masuda; Wolfgang W. Schoeller; Bruno Donnadieu; Guy Bertrand","NHC-Mediated Aggregation of P4: Isolation of a P12 Cluster","Journal of the American Chemical Society","2007","129","","14180","14181","10.1021/ja077296u","","","0.71073","MoKα","","0.0942","0.0535","","","0.1093","0.1246","","","","","","1.025","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110198","9.8011","0.0003","12.7402","0.0004","14.6788","0.0005","69.595","0.002","79.441","0.002","69.863","0.001","1608.72","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H48 N2 P4 -","- C33 H48 N2 P4 -","- C66 H96 N4 P8 -","2","1","","Jason D. Masuda; Wolfgang W. Schoeller; Bruno Donnadieu; Guy Bertrand","NHC-Mediated Aggregation of P4: Isolation of a P12 Cluster","Journal of the American Chemical Society","2007","129","","14180","14181","10.1021/ja077296u","","","0.71073","MoKα","","0.0413","0.0325","","","0.0901","0.0958","","","","","","1.119","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110199","11.982","0.008","13.397","0.009","23.717","0.016","74.896","0.009","80.328","0.009","70.51","0.008","3451","4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H102 N4 P4 -","- C74 H102 N4 P4 -","- C148 H204 N8 P8 -","2","1","","Jason D. Masuda; Wolfgang W. Schoeller; Bruno Donnadieu; Guy Bertrand","NHC-Mediated Aggregation of P4: Isolation of a P12 Cluster","Journal of the American Chemical Society","2007","129","","14180","14181","10.1021/ja077296u","","","0.71073","MoKα","","0.2041","0.0842","","","0.1522","0.2016","","","","","","0.944","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110200","29.635","0.004","20.97","0.003","19.375","0.003","90","","95.606","0.003","90","","11983","3","153","2","153","2","","","","","","","","11","P 1 21/c 1","-P 2ybc","14","","","","- C73 H58.67 B1.33 Cl7.33 F5.33 N4 O4 P2.67 Rh1.33 S2.67 Zn1.33 -","- C73 H58.6667 B1.33333 Cl7.33333 F5.33333 N4 O4 P2.66667 Rh1.33333 S2.66667 Zn1.33333 -","- C438 H352 B8 Cl44 F32 N24 O24 P16 Rh8 S16 Zn8 -","6","1.5","","Hyo Jae Yoon; Jungseok Heo; Chad A. Mirkin","Allosteric Regulation of Phosphate Diester Transesterification Based upon a Dinuclear Zinc Catalyst Assembled via the Weak-Link Approach","Journal of the American Chemical Society","2007","129","","14182","14183","10.1021/ja077467v","","","0.71073","MoKα","","0.4146","0.1367","","","0.3066","0.4143","","","","","","0.913","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110201","5.5792","0.0001","9.1278","0.0003","13.4765","0.0003","90","","95.89","0.002","90","","682.68","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 Br O2 -","- C15 H21 Br O2 -","- C30 H42 Br2 O4 -","2","1","","Guang Y. Fang; Olov A. Wallner; Nadia Di Blasio; Xavier Ginesta; Jeremy N. Harvey; Varinder K. Aggarwal","Asymmetric Sulfur Ylide Reactions with Boranes: Scope and Limitations, Mechanism and Understanding","Journal of the American Chemical Society","2007","129","","14632","14639","10.1021/ja074110i","","","0.71073","MoKα","","0.0304","0.028","","","0.0929","0.0971","","","","","","0.819","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110202","20.044","0.004","7.464","0.0016","8.63","0.002","90","","90","","90","","1291.1","0.5","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","guanidinium 2,3,4-trimethylbenzenesulfonate","","","- C10 H17 N3 O3 S -","- C10 H17 N3 O3 S -","- C40 H68 N12 O12 S4 -","4","0.5","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.1051","0.0474","","","0.1142","0.1311","","","","","","0.96","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110203","18.513","0.002","7.4798","0.0008","9.3991","0.001","90","","90","","90","","1301.5","0.2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","guanidinium 2,4,5-trimethylbenzenesulfonate","","","- C10 H17 N3 O3 S -","- C10 H17 N3 O3 S -","- C40 H68 N12 O12 S4 -","4","0.5","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0402","0.035","","","0.0917","0.0946","","","","","","1.103","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110204","7.3912","0.0012","12.0564","0.0019","14.037","0.002","90","","90","","90","","1250.9","0.3","173","2","173","2","","","","","","","","5","P m c 21","P 2c -2","26","guanidinium 2,4-dimethylbenzenesulfonate","","","- C9 H15 N3 O3 S -","- C9 H15 N3 O3 S -","- C36 H60 N12 O12 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0274","0.0252","","","0.068","0.0688","","","","","","1.158","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110205","16.621","0.003","7.4457","0.0015","9.6016","0.0019","90","","90","","90","","1188.2","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","guanidinium 2,5-dimethylbenzenesulfonate","","","- C9 H15 N3 O3 S -","- C9 H15 N3 O3 S -","- C36 H60 N12 O12 S4 -","4","0.5","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0557","0.0432","","","0.114","0.1223","","","","","","1.043","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110206","7.121","0.005","7.347","0.005","11.661","0.005","80.198","0.005","83.673","0.005","63.966","0.005","539.7","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","guanidinium 2-fluorobenzenesulfonate","","","- C7 H10 Cl N3 O3 S -","- C7 H10 Cl N3 O3 S -","- C14 H20 Cl2 N6 O6 S2 -","2","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71069","MoKα","","0.0335","0.0312","","","0.085","0.0864","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110207","12.5613","0.0018","7.4686","0.0011","22.99","0.003","90","","94.984","0.002","90","","2148.7","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","guanidinium 2-fluorobenzenesulfonate","","","- C7 H10 F N3 O3 S -","- C7 H10 F N3 O3 S -","- C56 H80 F8 N24 O24 S8 -","8","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.053","0.0382","","","0.0849","0.0906","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110208","7.262","0.0008","18.062","0.002","12.1437","0.0014","90","","90.069","0.002","90","","1592.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","guanidinium sulfonate clathrate","","","- C26 H40 N6 O6 S2 -","- C26 H40 N6 O6 S2 -","- C52 H80 N12 O12 S4 -","2","0.5","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0529","0.0409","","","0.1011","0.106","","","","","","1.105","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110209","16.315","0.002","7.5145","0.001","9.2773","0.0013","90","","90","","90","","1137.4","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","guanidinium 2-fluorobenzenesulfonate","","","- C8 H13 N3 O3 S -","- C8 H13 N3 O3 S -","- C32 H52 N12 O12 S4 -","4","0.5","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0472","0.0402","","","0.0938","0.0967","","","","","","1.122","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110210","18.695","0.003","7.3907","0.001","8.5401","0.0012","90","","90","","90","","1180","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","guanidinium 3,4-dimethylbenzenesulfonate","","","- C9 H15 N3 O3 S -","- C9 H15 N3 O3 S -","- C36 H60 N12 O12 S4 -","4","0.5","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0871","0.0502","","","0.1239","0.1367","","","","","","1.084","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110211","7.3158","0.0015","7.3242","0.0015","12.272","0.003","73.749","0.003","72.979","0.003","62.076","0.003","547.6","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H10 Cl N3 O3 S -","- C7 H10 Cl N3 O3 S -","- C14 H20 Cl2 N6 O6 S2 -","2","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0444","0.0388","","","0.1009","0.1036","","","","","","1.08","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110212","7.169","0.005","7.304","0.005","11.532","0.005","72.377","0.005","85.075","0.005","62.944","0.005","511.6","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","guanidinium 3-fluorobenzenesulfonate","","","- C7 H10 F N3 O3 S -","- C7 H10 F N3 O3 S -","- C14 H20 F2 N6 O6 S2 -","2","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71069","MoKα","","0.0361","0.0309","","","0.0813","0.0836","","","","","","1.047","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110213","7.4439","0.0005","11.6454","0.0007","21.0703","0.0013","90","","90","","90","","1826.5","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","guanidinium sulfonate clathrate","","","- C16 H23 N3 O3 S -","- C16 H23 N3 O3 S -","- C64 H92 N12 O12 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0966","0.067","","","0.1813","0.2072","","","","","","0.946","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110214","7.4409","0.0014","20.364","0.004","12.248","0.002","90","","93.075","0.003","90","","1853.2","0.6","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","guanidinium sulfonate clathrate","","","- C16 H23 N3 O4 S -","- C16 H23 N3 O4 S -","- C64 H92 N12 O16 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0362","0.0302","","","0.0698","0.0717","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110215","11.7808","0.0017","22.579","0.003","7.5023","0.001","90","","90","","90","","1995.6","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Br N3 O4 S -","- C16 H22 Br N3 O4 S -","- C64 H88 Br4 N12 O16 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0673","0.044","","","0.0796","0.0855","","","","","","1.02","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110216","7.7431","0.0004","11.2471","0.0006","19.8076","0.0012","90","","90","","90","","1724.99","0.17","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","guanidinium sulfonate chlathrate","","","- C14 H18 Br N3 O4 S -","- C14 H18 Br N3 O4 S -","- C56 H72 Br4 N12 O16 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0324","0.0274","","","0.0665","0.0684","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110217","7.4786","0.0006","19.3589","0.0015","11.5539","0.0009","90","","91.208","0.002","90","","1672.4","0.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","guanidinium sulfonate chlathrate","","","- C13 H10 Br N3 O3 S -","- C13 H10 Br N3 O3 S -","- C52 H40 Br4 N12 O12 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0504","0.0444","","","0.1124","0.1154","","","","","","1","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110218","18.52","0.003","22.903","0.004","7.7707","0.0012","90","","90","","90","","3296","0.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 Br2 N6 O6 S2 -","- C24 H20 Br2 N6 O6 S2 -","- C96 H80 Br8 N24 O24 S8 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0495","0.0382","","","0.0906","0.0944","","","","","","1.054","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110219","21.0695","0.0019","12.6553","0.0012","7.4141","0.0007","90","","90","","90","","1976.9","0.3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","guanidinium sulfonate clathrate","","","- C16 H20 Br N5 O3 S -","- C16 H20 Br N5 O3 S -","- C64 H80 Br4 N20 O12 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0341","0.0291","","","0.0727","0.0742","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110220","19.786","0.003","7.5257","0.0013","11.448","0.002","90","","90","","90","","1704.6","0.5","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","guanidinium sulfonate clathrate","","","- C14 H18 Br N3 O3 S -","- C14 H18 Br N3 O3 S -","- C56 H72 Br4 N12 O12 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.7107","MoKα","","0.0768","0.0518","","","0.1138","0.1207","","","","","","0.922","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110221","7.4688","0.0015","12.316","0.002","20.948","0.004","90","","90","","90","","1926.9","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","guanidinium sulfonate clathrate","","","- C15 H20 Cl N5 O5 S -","- C15 H20 Cl N5 O5 S -","- C60 H80 Cl4 N20 O20 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0552","0.0402","","","0.0823","0.0858","","","","","","0.918","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110222","18.3983","0.001","22.8237","0.0012","7.7169","0.0004","90","","90","","90","","3240.5","0.3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","guanidinium sulfonate clathrate","","","- C24 H34 Cl2 N6 O6 S2 -","- C24 H34 Cl2 N6 O6 S2 -","- C96 H136 Cl8 N24 O24 S8 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.067","0.0498","","","0.0963","0.1022","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110223","7.508","0.0014","20.473","0.004","12.377","0.002","90","","92.765","0.003","90","","1900.3","0.6","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","guanidinium sulfonate clathrate","","","- C17 H25 N3 O3 S -","- C17 H25 N3 O3 S -","- C68 H100 N12 O12 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0446","0.0362","","","0.0839","0.0867","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110224","32.565","0.014","7.455","0.003","12.308","0.005","90","","90","","90","","2988","2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","guanidinium sulfonate clathrate","","","- C24 H34 F2 N6 O6 S2 -","- C24 H34 F2 N6 O6 S2 -","- C96 H136 F8 N24 O24 S8 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.1689","0.1262","","","0.3038","0.3309","","","","","","1.085","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110225","7.4288","0.0012","15.813","0.002","12.3793","0.0019","90","","90.603","0.003","90","","1454.1","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","guanidinium sulfonate clathrate","","","- C23 H32 F2 N6 O6 S2 -","- C23 H32 F2 N6 O6 S2 -","- C46 H64 F4 N12 O12 S4 -","2","0.5","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0554","0.0479","","","0.1263","0.1296","","","","","","1.17","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110226","7.5332","0.0003","11.9412","0.0005","20.206","0.0009","90","","90","","90","","1817.64","0.13","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","guanidinium sulfonate clathrate","","","- C15 H21 F N4 O3 S -","- C15 H21 F N4 O3 S -","- C60 H84 F4 N16 O12 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0343","0.0299","","","0.0774","0.0794","","","","","","1.06","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110227","7.4694","0.0011","38.233","0.006","11.2721","0.0018","90","","93.007","0.003","90","","3214.6","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","guanidinium 4-fluorobenzenesulfonate","","","- C7 H10 F N3 O3 S -","- C7 H10 F N3 O3 S -","- C84 H120 F12 N36 O36 S12 -","12","3","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.069","0.0525","","","0.1315","0.1375","","","","","","1.155","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110228","7.5106","0.0004","11.8486","0.0007","22.9872","0.0013","90","","90","","90","","2045.6","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","guanidinium sulfonate clathrate","","","- C16 H22 I N3 O4 S -","- C16 H22 I N3 O4 S -","- C64 H88 I4 N12 O16 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0654","0.0423","","","0.11","0.1212","","","","","","1.087","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110229","21.335","0.0012","12.5958","0.0007","7.442","0.0004","90","","90","","90","","1999.9","0.19","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","guanidinium sulfonate clathrate","","","- C16 H20 I N5 O3 S -","- C16 H20 I N5 O3 S -","- C64 H80 I4 N20 O12 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0216","0.0196","","","0.049","0.0497","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110230","22.527","0.005","7.555","0.005","6.765","0.005","90","0.005","90","0.005","90","0.005","1151.3","1.2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H10 I N3 O3 S -","- C7 H10 I N3 O3 S -","- C28 H40 I4 N12 O12 S4 -","4","0.5","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71069","MoKα","","0.0492","0.0394","","","0.0851","0.0908","","","","","","1.14","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110231","12.3765","0.0019","22.114","0.003","56.385","0.009","90","","90","","90","","15432","4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","guanidinium 4-tert-butylbenzenesulfonate","","","- C11 H19.8 N3 O3.4 S -","- C11 H19.8 N3 O3.4 S -","- C440 H792 N120 O136 S40 -","40","5","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.2184","0.1318","","","0.2782","0.3244","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110232","18.965","0.003","21.733","0.003","13.832","0.002","90","","101.781","0.003","90","","5581","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H141 N18 O18 S6 -","- C92 H141 N18 O18 S6 -","- C184 H282 N36 O36 S12 -","2","0.5","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.1008","0.0611","","","0.1368","0.1494","","","","","","1.034","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110233","14.501","0.005","12.686","0.005","47.584","0.005","90","","90","","90","","8754","5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H17 N3 O3 S -","- C10 H15.8333 N3 O3 S -","- C240 H380 N72 O72 S24 -","24","3","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71069","MoKα","","0.1042","0.0755","","","0.2108","0.2236","","","","","","1.111","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110234","7.4622","0.0004","11.8703","0.0006","22.1066","0.0011","90","","90","","90","","1958.17","0.17","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","guanidinium monosulfonate clathrate","","","- C17 H25 N3 O4 S -","- C17 H25 N3 O4 S -","- C68 H100 N12 O16 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0483","0.0402","","","0.1104","0.1155","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110235","18.757","0.003","23.471","0.004","7.4865","0.0012","90","","90","","90","","3295.9","0.9","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","guanidinium sulfonate clathrate","","","- C26 H40 N6 O6 S2 -","- C26 H40 N6 O6 S2 -","- C104 H160 N24 O24 S8 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0936","0.0618","","","0.128","0.1389","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110236","22.9819","0.0017","7.427","0.0006","19.0067","0.0014","90","","114.426","0.001","90","","2953.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","guanidinium sulfonate clathrate","","","- C22 H30 N8 O10 S2 -","- C22 H30 N8 O10 S2 -","- C88 H120 N32 O40 S8 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.1245","0.0728","","","0.2191","0.2593","","","","","","1.055","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110237","11.2544","0.0009","7.7474","0.0006","13.0949","0.001","90","","110.85","0.001","90","","1067.01","0.14","173","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","guanidinium 4-nitrobenzenesulfonate","","","- C7 H10 N4 O5 S -","- C7 H10 N4 O5 S -","- C28 H40 N16 O20 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0391","0.0329","","","0.0918","0.0954","","","","","","1.074","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110238","19.169","0.002","22.004","0.003","13.2277","0.0016","90","","103.582","0.002","90","","5423.3","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H69 N9 O9 S3 -","- C45 H69 N9 O9 S3 -","- C180 H276 N36 O36 S12 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0986","0.0617","","","0.1739","0.1895","","","","","","1.132","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110239","13.668","0.003","12.334","0.002","22.015","0.004","90","","91.03","0.003","90","","3710.7","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","guanidinium sulfonate clathrate","","","- C58 H98 N12 O12 S4 -","- C58 H98 N12 O12 S4 -","- C116 H196 N24 O24 S8 -","2","0.5","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.1579","0.126","","","0.3323","0.3498","","","","","","1.036","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110240","10.957","0.001","13.367","0.001","16.473","0.002","68.791","0.002","78.608","0.002","69.184","0.001","2095.8","0.4","273.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H39 Cl I O3 P2 Re -","- C45 H42 Cl2 I O3 P2 Re -","- C90 H84 Cl4 I2 O6 P4 Re2 -","2","1","","Kristine A. Nolin; Jennifer R. Krumper; Michael D. Pluth; Robert G. Bergman; F. Dean Toste","Analysis of an Unprecedented Mechanism for the Catalytic Hydrosilylation of Carbonyl Compounds","Journal of the American Chemical Society","2007","129","","14684","14696","10.1021/ja074477n","","","0.7107","MoKα","","0.029","0.029","","0.0337","","0.0337","","","","","","1.313","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110241","15.599","0.003","12.87","0.003","17.763","0.003","90","","104.936","0.003","90","","3445.6","1.2","108.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H34 I O2 P2 Re -","- C37 H33 I1.01 O2 P2 Re -","- C148 H132 I4.04 O8 P8 Re4 -","4","1","","Kristine A. Nolin; Jennifer R. Krumper; Michael D. Pluth; Robert G. Bergman; F. Dean Toste","Analysis of an Unprecedented Mechanism for the Catalytic Hydrosilylation of Carbonyl Compounds","Journal of the American Chemical Society","2007","129","","14684","14696","10.1021/ja074477n","","","0.7107","MoKα","","0.0448","0.0448","","0.0562","","0.0562","","","","","","2.334","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110242","30.7027","","15.4502","0.0009","10.8585","0.0006","90","","90","","90","","5150.9","0.4","143.2","","","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C51 H48 Cl4 I O2 P2 Re Si -","- C51 Cl4 I O2 P2 Re Si -","- C204 Cl16 I4 O8 P8 Re4 Si4 -","4","1","","Kristine A. Nolin; Jennifer R. Krumper; Michael D. Pluth; Robert G. Bergman; F. Dean Toste","Analysis of an Unprecedented Mechanism for the Catalytic Hydrosilylation of Carbonyl Compounds","Journal of the American Chemical Society","2007","129","","14684","14696","10.1021/ja074477n","","","0.7107","MoKα","","","0.0403","","","","0.0447","","","","","","1.302","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110243","8.4847","0.0004","13.9643","0.0007","16.1353","0.0008","90","","90","","90","","1911.76","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","06275","","","- C23 H21 N O S -","- C23 H21 N O S -","- C92 H84 N4 O4 S4 -","4","1","","Barry M. Trost; Yong Zhang","Mo-Catalyzed Regio-, Diastereo-, and Enantioselective Allylic Alkylation of 3-Aryloxindoles","Journal of the American Chemical Society","2007","129","","14548","14549","10.1021/ja0755717","","","0.71073","MoKα","","0.0423","0.0367","","","0.0953","0.1003","","","","","","1.019","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110244","8.838","0.0002","11.013","0.0004","27.049","0.0009","90","","108.654","0.002","90","","2494.45","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O4 S2 -","- C28 H24 N2 O4 S2 -","- C112 H96 N8 O16 S8 -","4","1","","Kilian Muñiz","Advancing Palladium-Catalyzed C-N Bond Formation: Bisindoline Construction from Successive Amide Transfer to Internal Alkenes","Journal of the American Chemical Society","2007","129","","14542","14543","10.1021/ja075655f","","","0.71073","MoKα","","0.0812","0.0467","","","0.1125","0.1309","","","","","","1.058","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110245","29.417","0.0007","9.92","0.0003","20.789","0.0006","90","","115.097","0.0017","90","","5493.8","0.3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 N4 O9 S2 -","- C24 H26 N4 O8 S2 -","- C192 H208 N32 O64 S16 -","8","1","","Andrew J. Boydston; Cory S. Pecinovsky; Steven T. Chao; Christopher W. Bielawski","Phase-Tunable Fluorophores Based upon Benzobis(imidazolium) Salts","Journal of the American Chemical Society","2007","129","","14550","14551","10.1021/ja075963d","","","0.71073","MoKα","","0.094","0.056","","","0.1428","0.1573","","","","","","1.056","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110246","15.6675","0.0009","8.5227","0.0005","19.2498","0.0013","90","","113.028","0.003","90","","2365.6","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20.6 H26.2 N4 O8.4 S2 -","- C20.6 H25.8 N4 O8.4 S2 -","- C82.4 H103.2 N16 O33.6 S8 -","4","1","","Andrew J. Boydston; Cory S. Pecinovsky; Steven T. Chao; Christopher W. Bielawski","Phase-Tunable Fluorophores Based upon Benzobis(imidazolium) Salts","Journal of the American Chemical Society","2007","129","","14550","14551","10.1021/ja075963d","","","0.71073","MoKα","","0.1567","0.0797","","","0.1614","0.1925","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110247","8.4326","0.0008","9.5389","0.0011","19.364","0.002","98.805","0.006","97.397","0.008","99.781","0.004","1497.6","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H104 B2 F8 N4 -","- C56 H104 B2 F8 N4 -","- C56 H104 B2 F8 N4 -","1","0.5","","Andrew J. Boydston; Cory S. Pecinovsky; Steven T. Chao; Christopher W. Bielawski","Phase-Tunable Fluorophores Based upon Benzobis(imidazolium) Salts","Journal of the American Chemical Society","2007","129","","14550","14551","10.1021/ja075963d","","","0.71073","MoKα","","0.1652","0.0811","","","0.1535","0.1754","","","","","","1.398","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110248","6.987","0.0014","24.587","0.005","11.022","0.002","90","","90.99","0.03","90","","1893.2","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 Br N O2 -","- C23 H18 Br N O2 -","- C92 H72 Br4 N4 O8 -","4","2","","John D. Huber; James L. Leighton","Highly Enantioselective Imine Cinnamylation with a Remarkable Diastereochemical Switch","Journal of the American Chemical Society","2007","129","","14552","14553","10.1021/ja076035h","","","0.71073","MoKα","","0.0984","0.0779","","","0.1667","0.1781","","","","","","1.107","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110249","15.392","0.0008","22.7497","0.0014","16.0554","0.0009","90","","109.497","0.001","90","","5299.6","0.5","243","2","243","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H36 N O3 -","- C25 H29 N O3 -","- C200 H232 N8 O24 -","8","4","","John D. Huber; James L. Leighton","Highly Enantioselective Imine Cinnamylation with a Remarkable Diastereochemical Switch","Journal of the American Chemical Society","2007","129","","14552","14553","10.1021/ja076035h","","","0.71073","MoKα","","0.1398","0.0513","","","0.0827","0.0911","","","","","","1.02","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110250","18.344","0.004","12.128","0.002","15.01","0.003","90","","90","","90","","3339.4","1.1","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C26 H32 Cl11 Sb -","- C26 H32 Cl12 Sb -","- C104 H128 Cl48 Sb4 -","4","0.5","","Akira Matsuura; Tohru Nishinaga; Koichi Komatsu","Structural Studies on the Radical Cations of Benzene, Naphthalene, Biphenylene, and Anthracene Fully Annelated with Bicyclo[2.2.2]octene Frameworks [J.Am. Chem.Soc.2000,122, 10007-10016].","Journal of the American Chemical Society","2007","129","","14830","14830","10.1021/ja077519g","","","0.71073","MoKα","","0.0425","0.036","","","0.0945","0.098","","","","","","1.045","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110251","12.8433","0.0003","14.5296","0.0004","7.6465","0.0002","90","","99.806","0.001","90","","1406.05","0.06","100","","100","","","","","","","","methanole","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl2 N -","- C17 H13 Cl2 N -","- C68 H52 Cl8 N4 -","4","1","","Christophe Aïssa; Alois Fürstner","A Rhodium-Catalyzed C-H Activation/Cycloisomerization Tandem","Journal of the American Chemical Society","2007","129","","14836","14837","10.1021/ja0746316","","","0.71073","MoKα","","0.0614","0.0395","","","0.0898","0.099","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110252","16.5383","0.0002","15.399","0.0003","20.8194","0.0004","90","","104.896","0.001","90","","5123.96","0.16","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H51 F6 O3 P3 Ru -","- C59 H51 F6 O3 P3 Ru -","- C236 H204 F24 O12 P12 Ru4 -","4","1","","Cheng-Wei Cheng; Yi-Chun Kuo; Shu-Hao Chang; Ying-Chih Lin; Yi-Hong Liu; Yu Wang","Intramolecular Cyclization of Ruthenium Vinylidene Complexes with a Tethering Vinyl Group: Facile Cleavage and Reconstruction of the C-C Double Bond","Journal of the American Chemical Society","2007","129","","14974","14980","10.1021/ja074951p","","","0.71073","MoKα","","0.1145","0.0527","","","0.105","0.1291","","","","","","0.997","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110253","7.2982","0.0005","7.2982","0.0005","19.0019","0.0016","90","","90","","120","","876.51","0.11","100","2","293","2","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- P2 Rb2 Se6 -","- P2 Rb2 Se6 -","- P6 Rb6 Se18 -","3","0.5","","In Chung; Christos D. Malliakas; Joon I. Jang; Christian G. Canlas; David P. Weliky; Mercouri G. Kanatzidis","Helical Polymer 1/\ιnfty[P2Se62-]: Strong Second Harmonic Generation Response and Phase-Change Properties of Its K and Rb Salts","Journal of the American Chemical Society","2007","129","","14996","15006","10.1021/ja075096c","","","0.71073","MoKα","","0.0474","0.0387","","","0.0456","0.047","","","","","","0.976","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110254","7.2746","0.0008","7.2746","0.0008","18.871","0.004","90","","90","","120","","864.9","0.2","298","2","298","2","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- K2 P2 Se6 -","- K2 P2 Se6 -","- K6 P6 Se18 -","3","0.5","","In Chung; Christos D. Malliakas; Joon I. Jang; Christian G. Canlas; David P. Weliky; Mercouri G. Kanatzidis","Helical Polymer 1/\ιnfty[P2Se62-]: Strong Second Harmonic Generation Response and Phase-Change Properties of Its K and Rb Salts","Journal of the American Chemical Society","2007","129","","14996","15006","10.1021/ja075096c","","","0.71073","MoKα","","0.0264","0.0234","","","0.0511","0.0524","","","","","","1.078","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110255","14.4916","0.0007","14.4916","0.0007","18.7999","0.0017","90","","90","","120","","3419.2","0.4","173","2","173","2","","","","","","","","3","P 31","P 31","144","","","","- K2 P2 Se6 -","- K2 P2 Se6 -","- K24 P24 Se72 -","12","4","","In Chung; Christos D. Malliakas; Joon I. Jang; Christian G. Canlas; David P. Weliky; Mercouri G. Kanatzidis","Helical Polymer 1/\ιnfty[P2Se62-]: Strong Second Harmonic Generation Response and Phase-Change Properties of Its K and Rb Salts","Journal of the American Chemical Society","2007","129","","14996","15006","10.1021/ja075096c","","","0.71073","MoKα","","0.1492","0.0461","","","0.0817","0.1143","","","","","","0.974","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110256","6.8384","0.0001","14.49","0.0002","23.5088","0.0004","90","","90","","90","","2329.45","0.06","20","1","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H10 O5 -","- C15 H10 O5 -","- C120 H80 O40 -","8","1","","Eric J. Yearley; Elizabeth A. Zhurova; Vladimir V. Zhurov; A. Alan Pinkerton","Binding of Genistein to the Estrogen Receptor Based on an Experimental Electron Density Study","Journal of the American Chemical Society","2007","129","","15013","15021","10.1021/ja075211j","","","0.71073","MoKα","","","0.0175","","","","0.0323","","","","","","1.0211","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110257","10.5116","0.0003","13.4898","0.0004","13.9436","0.0004","104.169","0.002","90.708","0.002","105.057","0.002","1845.13","0.1","100","2","100","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C72 H60 Cl18 N8 O6 -","- C68 H56 Cl6 N8 O6 -","- C68 H56 Cl6 N8 O6 -","1","0.5","","Jeremiah J. Gassensmith; Easwaran Arunkumar; Lorna Barr; Jeffrey M. Baumes; Kristy M. DiVittorio; James R. Johnson; Bruce C. Noll; Bradley D. Smith","Self-Assembly of Fluorescent Inclusion Complexes in Competitive Media Including the Interior of Living Cells","Journal of the American Chemical Society","2007","129","","15054","15059","10.1021/ja075567v","","","0.71073","MoKα","","0.0725","0.056","","","0.1618","0.1712","","","","","","1.113","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110258","11.704","0.0006","9.6398","0.0004","14.8049","0.0007","90","","113.283","0.001","90","","1534.32","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Au Cl N2 -","- C14 H18 Au Cl N2 -","- C56 H72 Au4 Cl4 N8 -","4","1","","Sriparna Ray; Renu Mohan; Jay K. Singh; Manoja K. Samantaray; Mobin M. Shaikh; Dulal Panda; Prasenjit Ghosh","Anticancer and Antimicrobial Metallopharmaceutical Agents Based on Palladium, Gold, and Silver N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2007","129","","15042","15053","10.1021/ja075889z","","","0.71073","MoKα","","0.0639","0.0404","","","0.0867","0.0951","","","","","","0.943","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110259","10.2107","0.0006","13.9758","0.0006","10.6444","0.0006","90","","115.07","0.007","90","","1375.88","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl N2 Pd0.5 -","- C14 H18 Cl N2 Pd0.5 -","- C56 H72 Cl4 N8 Pd2 -","4","1","","Sriparna Ray; Renu Mohan; Jay K. Singh; Manoja K. Samantaray; Mobin M. Shaikh; Dulal Panda; Prasenjit Ghosh","Anticancer and Antimicrobial Metallopharmaceutical Agents Based on Palladium, Gold, and Silver N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2007","129","","15042","15053","10.1021/ja075889z","","","0.71073","MoKα","","0.0575","0.0471","","","0.1206","0.1279","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110260","8.719","0.0002","12.1235","0.0003","13.4064","0.0003","90","","91.957","0.002","90","","1416.29","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Ag Cl N2 -","- C14 H18 Ag Cl N2 -","- C56 H72 Ag4 Cl4 N8 -","4","1","","Sriparna Ray; Renu Mohan; Jay K. Singh; Manoja K. Samantaray; Mobin M. Shaikh; Dulal Panda; Prasenjit Ghosh","Anticancer and Antimicrobial Metallopharmaceutical Agents Based on Palladium, Gold, and Silver N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2007","129","","15042","15053","10.1021/ja075889z","","","0.71073","MoKα","","0.0435","0.0408","","","0.1087","0.1126","","","","","","1.047","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110261","13.3056","0.0003","10.0597","0.0003","15.6576","0.0003","90","","104.898","0.002","90","","2025.33","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl2 N3 Pd -","- C19 H23 Cl2 N3 Pd -","- C76 H92 Cl8 N12 Pd4 -","4","1","","Sriparna Ray; Renu Mohan; Jay K. Singh; Manoja K. Samantaray; Mobin M. Shaikh; Dulal Panda; Prasenjit Ghosh","Anticancer and Antimicrobial Metallopharmaceutical Agents Based on Palladium, Gold, and Silver N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2007","129","","15042","15053","10.1021/ja075889z","","","0.71073","MoKα","","0.0277","0.0223","","","0.0563","0.059","","","","","","1.055","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110262","10.166","0.002","11.161","0.002","19.386","0.004","90","","90","","90","","2199.6","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N O6 -","- C25 H29 N O6 -","- C100 H116 N4 O24 -","4","1","","K. C. Nicolaou; Yefeng Tang; Jianhua Wang; Antonia F. Stepan; Ang Li; Ana Montero","Total Synthesis and Antibacterial Properties of Carbaplatensimycin","Journal of the American Chemical Society","2007","129","","14850","14851","10.1021/ja076126e","","","0.71073","MoKα","","0.073","0.053","","","0.114","0.1232","","","","","","1.055","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110263","14.437","0.006","18.314","0.006","16.522","0.006","90","","112.17","0.009","90","","4045","3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 N4 O4 Pd -","- C44 H56 N4 O4 Pd -","- C176 H224 N16 O16 Pd4 -","4","1","","James D. Crowley; David A. Leigh; Paul J. Lusby; Roy T. McBurney; Laure-Emmanuelle Perret-Aebi; Christiane Petzold; Alexandra M. Z. Slawin; Mark D. Symes","A Switchable Palladium-Complexed Molecular Shuttle and Its Metastable Positional Isomers","Journal of the American Chemical Society","2007","129","","15085","15090","10.1021/ja076570h","","","0.71073","MoKα","","0.2561","0.0937","","","0.1565","0.1982","","","","","","0.953","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110264","18.098","0.002","18.151","0.002","12.7405","0.0014","90","","91.62","0.03","90","","4183.5","0.8","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H61 N5 O4 Pd -","- C46 H61 N5 O4 Pd -","- C184 H244 N20 O16 Pd4 -","4","1","","James D. Crowley; David A. Leigh; Paul J. Lusby; Roy T. McBurney; Laure-Emmanuelle Perret-Aebi; Christiane Petzold; Alexandra M. Z. Slawin; Mark D. Symes","A Switchable Palladium-Complexed Molecular Shuttle and Its Metastable Positional Isomers","Journal of the American Chemical Society","2007","129","","15085","15090","10.1021/ja076570h","","","0.71073","","","0.0642","0.0512","","","0.1178","0.1268","","","","","","1.125","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110265","5.955","0.003","11.936","0.007","27.882","0.015","90","","90","","90","","1981.8","1.9","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Br N O -","- C22 H20 Br N O -","- C88 H80 Br4 N4 O4 -","4","1","","Scott E. Denmark; Tyler W. Wilson; Matthew T. Burk; John R. Heemstra","Enantioselective Construction of Quaternary Stereogenic Carbons by the Lewis Base Catalyzed Additions of Silyl Ketene Imines to Aldehydes","Journal of the American Chemical Society","2007","129","","14864","14865","10.1021/ja077134y","","","0.71073","MoKα","","0.0701","0.035","","","0.0642","0.0702","","","","","","0.894","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4110266","25.14","0.04","7.838","0.019","15.2","0.03","90","","90","","90","","2995","11","123.1","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C144 H160 O24 -","8","1","","Ryo Shintani; Soyoung Park; Tamio Hayashi","Palladium-Catalyzed Synthesis of Spiro[2.4]heptanes: Ligand-Dependent Position Control in the Nucleophilic Attack to a π-Allylpalladium Intermediate","Journal of the American Chemical Society","2007","129","","14866","14867","10.1021/ja077236o","","","0.71075","MoKα","","","0.0641","","","","0.1848","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110267","24.204","0.011","11.794","0.005","16.099","0.007","90","","131.987","0.016","90","","3416","3","123.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 O4 -","- C28 H29.3333 O5.33333 -","- C168 H176 O32 -","6","0.75","","Ryo Shintani; Soyoung Park; Tamio Hayashi","Palladium-Catalyzed Synthesis of Spiro[2.4]heptanes: Ligand-Dependent Position Control in the Nucleophilic Attack to a π-Allylpalladium Intermediate","Journal of the American Chemical Society","2007","129","","14866","14867","10.1021/ja077236o","","","0.71075","MoKα","","","0.0469","","","","0.0552","","","","","","0.858","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110268","7.328","0.005","8.183","0.005","12.226","0.01","72.48","0.03","88.5","0.03","76.67","0.02","679.5","0.8","123.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C32 H36 O8 -","2","1","","Ryo Shintani; Soyoung Park; Tamio Hayashi","Palladium-Catalyzed Synthesis of Spiro[2.4]heptanes: Ligand-Dependent Position Control in the Nucleophilic Attack to a π-Allylpalladium Intermediate","Journal of the American Chemical Society","2007","129","","14866","14867","10.1021/ja077236o","","","0.71075","MoKα","","","0.0437","","","","0.1366","","","","","","1.129","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110269","12.722","0.0015","13.0859","0.0015","14.9523","0.0017","90","","90","","90","","2489.2","0.5","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 O3 -","- C11 H20 O3 -","- C88 H160 O24 -","8","2","","Amos B. Smith; Kallol Basu; Todd Bosanac","Total Synthesis of (-)-Okilactomycin","Journal of the American Chemical Society","2007","129","","14872","14874","10.1021/ja077569l","","","0.71069","MoKα","","0.0552","0.0472","","","0.1189","0.1268","","","","","","1.044","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110270","10.8093","0.0009","11.143","0.001","20.0215","0.0019","90","","90","","90","","2411.6","0.4","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H37 I O4 -","- C24 H37 I O4 -","- C96 H148 I4 O16 -","4","1","","Amos B. Smith; Kallol Basu; Todd Bosanac","Total Synthesis of (-)-Okilactomycin","Journal of the American Chemical Society","2007","129","","14872","14874","10.1021/ja077569l","","","0.71069","MoKα","","0.0359","0.0332","","","0.0746","0.0778","","","","","","1.063","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110271","31.074","0.002","15.349","0.0013","24.411","0.002","90","","116.615","0.001","90","","10409.2","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","05162a","","","- C106 H60 B2 F48 N6 Ru -","- C106 H60 B2 F48 N6 Ru -","- C424 H240 B8 F192 N24 Ru4 -","4","0.5","","Kari A. McGee; David J. Veltkamp; Brian J. Marquardt; Kent R. Mann","Porous Crystalline Ruthenium Complexes Are Oxygen Sensors","Journal of the American Chemical Society","2007","129","","15092","15093","10.1021/ja0681772","","","0.71069","MoKα","","0.0705","0.0608","","","0.1368","0.142","","","","","","1.148","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110272","12.8314","0.0006","12.8314","0.0006","44.695","0.004","90","","90","","90","","7358.8","0.8","173","2","173","2","","","","","","","","6","P 41","P 4w","76","05151x","","","- C84 H24 B2 F40 N6 Ru -","- C84 H24 B2 F40 N6 Ru -","- C336 H96 B8 F160 N24 Ru4 -","4","1","","Kari A. McGee; David J. Veltkamp; Brian J. Marquardt; Kent R. Mann","Porous Crystalline Ruthenium Complexes Are Oxygen Sensors","Journal of the American Chemical Society","2007","129","","15092","15093","10.1021/ja0681772","","","0.71073","MoKα","","0.0709","0.057","","","0.104","0.1083","","","","","","1.104","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110273","30.846","0.002","14.903","0.001","24.201","0.0016","90","","119.436","0.001","90","","9689","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","05060x","","","- C100 H48 B2 F48 N6 Ru -","- C100 H48 B2 F48 N6 Ru -","- C400 H192 B8 F192 N24 Ru4 -","4","0.5","","Kari A. McGee; David J. Veltkamp; Brian J. Marquardt; Kent R. Mann","Porous Crystalline Ruthenium Complexes Are Oxygen Sensors","Journal of the American Chemical Society","2007","129","","15092","15093","10.1021/ja0681772","","","0.71073","MoKα","","0.0567","0.0469","","","0.1198","0.129","","","","","","1.028","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110274","22.196","0.005","42.772","0.009","13.683","0.003","90","","90","","90","","12990","5","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","06246b","","","- C30 H24 B2 F8 N6 Ru -","- C30 H24 B2 F8 N6 Ru -","- C480 H384 B32 F128 N96 Ru16 -","16","1","","Kari A. McGee; David J. Veltkamp; Brian J. Marquardt; Kent R. Mann","Porous Crystalline Ruthenium Complexes Are Oxygen Sensors","Journal of the American Chemical Society","2007","129","","15092","15093","10.1021/ja0681772","","","0.71073","MoKα","","0.1067","0.0912","","","0.2428","0.2531","","","","","","1.075","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110275","13.102","0.004","26.279","0.009","26.104","0.006","90","","93.923","0.005","90","","8967","5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tb1","","","- C45.5 H41 N6.5 O28.25 Tb V6 -","- C45.2 H44.8 N6.4 O27.4 Tb V6 -","- C180.8 H179.2 N25.6 O109.6 Tb4 V24 -","4","1","","Jong Woo Han; Craig L. Hill","A Coordination Network That Catalyzes O2-Based Oxidations","Journal of the American Chemical Society","2007","129","","15094","15095","10.1021/ja069319v","","","0.71073","MoKα","","0.1161","0.0827","","","0.2058","0.2198","","","","","","1.007","","","","has coordinates","212017","2020-10-21","18:00:00",""
"4110276","8.4351","0.0017","11.136","0.002","14.463","0.003","90.08","0.03","93.13","0.03","101.75","0.03","1328","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H88 Cu2 Li4 N6 O2 -","- C46 H88 Cu2 Li4 N6 O2 -","- C46 H88 Cu2 Li4 N6 O2 -","1","0.5","","Shinya Usui; Yuichi Hashimoto; James V. Morey; Andrew E. H. Wheatley; Masanobu Uchiyama","Direct ortho Cupration: A New Route to Regioselectively Functionalized Aromatics","Journal of the American Chemical Society","2007","129","","15102","15103","10.1021/ja074669i","","","0.71073","MoKα","","0.0493","0.0388","","","0.1091","0.118","","","","","","0.971","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110277","6.8531","0.0004","8.8684","0.0005","15.2047","0.0008","90","","90","","90","","924.08","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl N3 O3 -","- C6 H12 Cl N3 O3 -","- C24 H48 Cl4 N12 O12 -","4","1","","Loren B. Andreas; Anil K. Mehta; Manish A. Mehta","Determination of Global Structure from Distance and Orientation Constraints in Biological Solids Using Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2007","129","","15233","15239","10.1021/ja074789q","","","0.71073","MoKα","","0.0229","0.0228","","","0.0601","0.0602","","","","","","1.105","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110278","17.64","0.002","17.64","0.002","45.187","0.011","90","","90","","120","","12177","4","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H145 Cl16 Cu12 Gd7 N18 O142 -","- C36 H74 Cl16 Cu12 Gd7 N18 O142.002 -","- C108 H222 Cl48 Cu36 Gd21 N54 O426.006 -","3","0.166667","","Shengchang Xiang; Shengmin Hu; Tianlu Sheng; Ruibiao Fu; Xintao Wu; Xudong Zhang","A Fan-Shaped Polynuclear Gd6Cu12 Amino Acid Cluster: A ""Hollow"" and Ferromagnetic [Gd6(μ3-OH)8] Octahedral Core Encapsulated by Six [Cu2] Glycinato Blade Fragments","Journal of the American Chemical Society","2007","129","","15144","15146","10.1021/ja0760832","","","0.71073","MoKα","","0.0491","0.0457","","","0.1193","0.1219","","","","","","1.095","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4110279","13.596","0.001","13.596","0.001","55.303","0.005","90","","90","","120","","8853.2","1.2","168.2","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C61 H83 Fe N4 Na O7 -","- C61.02 H75 Fe N4 Na O6.99 -","- C366.12 H450 Fe6 N24 Na6 O41.94 -","6","0.333333","","W. Hill Harman; Christopher J. Chang","N~2~O Activation and Oxidation Reactivity from a Non-Heme Iron Pyrrole Platform","Journal of the American Chemical Society","2007","129","","15128","15129","10.1021/ja076842g","","","0.7107","MoKα","","0.0538","0.0416","","0.0536","","0.0515","","","","","","2.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110280","11.994","0.002","16.762","0.003","23.8","0.005","90","","100.615","0.003","90","","4703","1.5","160.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H62 Fe N4 Na O7 -","- C49 H55 Fe N4 Na O7 -","- C196 H220 Fe4 N16 Na4 O28 -","4","1","","W. Hill Harman; Christopher J. Chang","N2O Activation and Oxidation Reactivity from a Non-Heme Iron Pyrrole Platform","Journal of the American Chemical Society","2007","129","","15128","15129","10.1021/ja076842g","","","0.7107","MoKα","","0.1198","0.0633","","0.0799","","0.0698","","","","","","2.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110281","17.625","0.005","13.84","0.004","24.177","0.006","90","","95.855","0.004","90","","5867","3","141.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H85 Fe K N4 O8 -","- C58 H85 Fe K N4 O8 -","- C232 H340 Fe4 K4 N16 O32 -","4","1","","W. Hill Harman; Christopher J. Chang","N2O Activation and Oxidation Reactivity from a Non-Heme Iron Pyrrole Platform","Journal of the American Chemical Society","2007","129","","15128","15129","10.1021/ja076842g","","","0.7107","MoKα","","0.0774","0.0398","","0.0534","","0.0472","","","","","","1.665","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110282","30.7996","0.0014","13.3966","0.0006","21.7807","0.001","90","","107.379","0.001","90","","8576.7","0.7","168.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 Fe K N4 O3 -","- C46 H56 Fe K N4 O3 -","- C368 H448 Fe8 K8 N32 O24 -","8","2","","W. Hill Harman; Christopher J. Chang","N2O Activation and Oxidation Reactivity from a Non-Heme Iron Pyrrole Platform","Journal of the American Chemical Society","2007","129","","15128","15129","10.1021/ja076842g","","","0.7107","MoKα","","0.0837","0.0452","","0.0615","","0.0531","","","","","","1.72","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110283","14.0114","0.0004","9.3901","0.0003","11.5641","0.0004","90","","106.168","0.002","90","","1461.3","0.08","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H20 Cl2 Ge N2 -","- C11 H20 Cl2 Ge N2 -","- C44 H80 Cl8 Ge4 N8 -","4","1","","Paul A. Rupar; Viktor N. Staroverov; Paul J. Ragogna; Kim M. Baines","A Germanium(II)-Centered Dication","Journal of the American Chemical Society","2007","129","","15138","15139","10.1021/ja0775725","","x-ray","0.71073","MoKα","","0.03","0.0291","","","0.0707","0.0715","","","","","","1.031","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110284","16.3681","0.0003","16.3681","0.0003","16.3681","0.0003","90","","90","","90","","4385.25","0.14","150","2","150","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C38 H65 Ge I2 N7 -","- C37.95 H64.95 Ge I1.99 N6.99 -","- C151.8 H259.8 Ge4 I7.96 N27.96 -","4","0.333333","","Paul A. Rupar; Viktor N. Staroverov; Paul J. Ragogna; Kim M. Baines","A Germanium(II)-Centered Dication","Journal of the American Chemical Society","2007","129","","15138","15139","10.1021/ja0775725","","","0.71073","MoKα","","0.0652","0.0632","","","0.1418","0.1427","","","","","","1.199","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110285","21.4774","0.0007","8.6709","0.0003","20.2449","0.0007","90","","100.794","0.0014","90","","3703.5","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H23 Ge I2 N2 -","- C14 H23 Ge I2 N2 -","- C112 H184 Ge8 I16 N16 -","8","1","","Paul A. Rupar; Viktor N. Staroverov; Paul J. Ragogna; Kim M. Baines","A Germanium(II)-Centered Dication","Journal of the American Chemical Society","2007","129","","15138","15139","10.1021/ja0775725","","","0.71073","MoKα","","0.0402","0.0354","","","0.09","0.0927","","","","","","1.062","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110286","9.264","0.005","12.458","0.007","16.136","0.009","73.298","0.007","87.149","0.007","75.923","0.008","1729.7","1.7","108","2","108","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 Cl10 N3 O2 Pd -","- C29 H23 Cl10 N3 O2 Pd -","- C58 H46 Cl20 N6 O4 Pd2 -","2","1","","Salena R. Whitfield; Melanie S. Sanford","Reactivity of Pd(II) Complexes with Electrophilic Chlorinating Reagents: Isolation of Pd(IV) Products and Observation of C-Cl Bond-Forming Reductive Elimination","Journal of the American Chemical Society","2007","129","","15142","15143","10.1021/ja077866q","","","0.71073","MoKα","","0.0608","0.0459","","","0.1249","0.1338","","","","","","1.054","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110287","13.102","0.004","26.279","0.009","26.104","0.006","90","","93.923","0.005","90","","8967","5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tb1","","","- C45.5 H41 N6.5 O28.25 Tb V6 -","- C45.2 H44.8 N6.4 O27.4 Tb V6 -","- C180.8 H179.2 N25.6 O109.6 Tb4 V24 -","4","1","","Jong Woo Han; Craig L. Hill","A Coordination Network That Catalyzes O2-Based Oxidations","Journal of the American Chemical Society","2007","129","","15094","15095","10.1021/ja069319v","","","0.71073","MoKα","","0.1666","0.1318","","","0.3367","0.3582","","","","","","1.137","","4110275","","has coordinates","215354","2020-10-21","18:00:00",""
"4110288","27.596","0.006","13.69","0.003","45.419","0.009","90","","90","","90","","17159","6","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C78.39 H56 I6 N16 O10 Zn3 -","- C78.379 H56 I6 N16 O10 Zn3 -","- C627.032 H448 I48 N128 O80 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.689","synchrotron","","0.0778","0.0529","","","0.142","0.1539","","","","","","0.957","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110289","27.123","0.004","13.6817","0.0018","45.995","0.006","90","","90","","90","","17068","4","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C79 H60 I6 N16 O10 Zn3 -","- C79 H60 I6 N16 O10 Zn3 -","- C632 H480 I48 N128 O80 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.71073","MoKα","","0.0811","0.0382","","","0.0742","0.0867","","","","","","1.03","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110290","27.122","0.004","13.692","0.002","45.963","0.007","90","","90","","90","","17069","4","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C78 H57 I6 N17 O8 Zn3 -","- C78 H57 I6 N17 O8 Zn3 -","- C624 H456 I48 N136 O64 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.71073","MoKα","","0.0775","0.0455","","","0.0946","0.1077","","","","","","1.041","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110291","27.286","0.003","13.6997","0.0017","45.829","0.006","90","","90","","90","","17131","4","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C79.82 H58.51 I6 N17.3 O8.59 Zn3 -","- C78.18 H57.152 I6 N17.032 O8.066 Zn3 -","- C625.44 H457.216 I48 N136.256 O64.528 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.71073","MoKα","","0.0865","0.0709","","","0.1579","0.1651","","","","","","1.158","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110292","27.424","0.003","13.7934","0.0014","45.907","0.005","90","","90","","90","","17365","3","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C78 H55 I6 N17 O10 Zn3 -","- C78 H55 I6 N17 O10 Zn3 -","- C624 H440 I48 N136 O80 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.71073","MoKα","","0.0761","0.05","","","0.1286","0.1444","","","","","","0.98","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110293","27.881","0.006","13.675","0.003","45.714","0.009","90","","90","","90","","17429","6","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C79.2 H79.4 I6 N13 O2 Zn3 -","- C80.082 H81.164 I6 N13 O2 Zn3 -","- C640.656 H649.312 I48 N104 O16 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.71073","MoKα","","0.0697","0.048","","","0.1124","0.1228","","","","","","1.101","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110294","27.449","0.004","13.707","0.002","45.248","0.007","90","","90","","90","","17024","4","82","2","82","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C75 H84 I6 N12 O5.07 Zn3 -","- C75 H84 I6 N12 O5.118 Zn3 -","- C600 H672 I48 N96 O40.944 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.71073","MoKα","","0.1122","0.0645","","","0.1578","0.1811","","","","","","1.12","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110295","27.59","0.006","13.673","0.003","45.606","0.009","90","","90","","90","","17204","6","82","2","82","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C79.19 H90.83 I6 N12 O3.22 Zn3 -","- C79.371 H91.356 I6 N12 O3.307 Zn3 -","- C634.968 H730.848 I48 N96 O26.456 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.71073","MoKα","","0.0847","0.0442","","","0.0917","0.107","","","","","","1.007","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110296","6.0975","0.0002","8.3422","0.0002","28.8836","0.001","90","","95.5451","0.0012","90","","1462.33","0.08","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H36 F2 N O14.5 -","- C25 H35 F2 N O14.5 -","- C50 H70 F4 N2 O29 -","2","1","","Go Hirai; Toru Watanabe; Kazunori Yamaguchi; Taeko Miyagi; Mikiko Sodeoka","Stereocontrolled and Convergent Entry to CF2-Sialosides: Synthesis of CF2-Linked Ganglioside GM4","Journal of the American Chemical Society","2007","129","","15420","15421","10.1021/ja075738w","","","0.71073","MoKα","","0.0394","0.0325","","","0.0795","0.0835","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110297","7.6498","0.0004","16.9929","0.001","27.4065","0.0017","90","","90","","90","","3562.6","0.4","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H24 O2 Si -","- C19 H24 O2 Si -","- C152 H192 O16 Si8 -","8","1","","Jhih-Meng Tang; Sabyasachi Bhunia; Shariar Md. Abu Sohel; Ming-Yuan Lin; Hsin-Yi Liao; Swarup Datta; Arindam Das; Rai-Shung Liu","The Skeletal Rearrangement of Gold- and Platinum-Catalyzed Cycloisomerization of cis-4,6-Dien-1-yn-3-ols: Pinacol Rearrangement and Formation of Bicyclo[4.1.0]heptenone and Reorganized Styrene Derivatives","Journal of the American Chemical Society","2007","129","","15677","15683","10.1021/ja076175r","","","0.71073","MoKα","","0.0826","0.0514","","","0.1438","0.1893","","","","","","1.131","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110298","24.512","0.006","10.257","0.002","34.311","0.009","90","","110.95","0.04","90","","8056","4","293","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ac-[L-(αMe)Val]7-NHiPr","","- C47 H88 N8 O8 -","- C47 H88 N8 O8 -","- C282 H528 N48 O48 -","6","3","","Marco Crisma; Michele Saviano; Alessandro Moretto; Quirinus B. Broxterman; Bernard Kaptein; Claudio Toniolo","Peptide α/310-Helix Dimorphism in the Crystal State","Journal of the American Chemical Society","2007","129","","15471","15473","10.1021/ja076656a","","","1.54178","CuKα","","0.159","0.1212","","","0.3041","0.3649","","","","","","1.411","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110299","30.677","0.004","11.02","0.002","38.639","0.005","90","","94.53","0.08","90","","13022","4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Ac-[L-(αMe)Val]7-NHiPr 1,1,1,3,3,3-hexafluoropropan-2-ol bis-solvate","","- C106 H184 F24 N16 O20 -","- C106 H184 F24 N16 O20 -","- C424 H736 F96 N64 O80 -","4","1","","Marco Crisma; Michele Saviano; Alessandro Moretto; Quirinus B. Broxterman; Bernard Kaptein; Claudio Toniolo","Peptide α/310-Helix Dimorphism in the Crystal State","Journal of the American Chemical Society","2007","129","","15471","15473","10.1021/ja076656a","","","1.54178","CuKα","","0.174","0.0878","","","0.2153","0.2639","","","","","","0.927","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110300","13.4273","0.0007","13.4273","0.0007","39.175","0.004","90","","90","","90","","7063","0.9","100","2","100","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C24 Ag6 F36 N18 -","- C24 Ag6 F36 N18 -","- C96 Ag24 F144 N72 -","4","0.25","","Chi Yang; Xiaoping Wang; Mohammad A. Omary","Fluorous Metal-Organic Frameworks for High-Density Gas Adsorption","Journal of the American Chemical Society","2007","129","","15454","15455","10.1021/ja0775265","","","0.71073","MoKα","","0.0768","0.0554","","","0.1417","0.1785","","","","","","1.196","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110301","5.864","0.005","7.74","0.007","37.91","0.03","90","0.003","90.589","0.003","90","0.003","1721","3","294.2","","294.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","BTBT-C12","BTBT-C12","","- C38 H56 S2 -","- C38 H56 S2 -","- C76 H112 S4 -","2","0.5","","Hideaki Ebata; Takafumi Izawa; Eigo Miyazaki; Kazuo Takimiya; Masaaki Ikeda; Hirokazu Kuwabara; Tatsuto Yui","Highly Soluble [1]Benzothieno[3,2-b]benzothiophene (BTBT) Derivatives for High-Performance, Solution-Processed Organic Field-Effect Transistors","Journal of the American Chemical Society","2007","129","","15732","15733","10.1021/ja074841i","","","0.7107","MoKα","","0.0957","0.0608","","","0.1405","0.1646","","","","","","0.818","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110302","8.004","0.0006","17.2811","0.0014","9.5685","0.0008","90","","111.599","0.001","90","","1230.56","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Co2 N8 O8 -","- C22 H20 Co2 N8 O8 -","- C44 H40 Co4 N16 O16 -","2","0.5","","Xiao-Ning Cheng; Wei-Xiong Zhang; Xiao-Ming Chen","Single Crystal-to-Single Crystal Transformation from Ferromagnetic Discrete Molecules to a Spin-Canting Antiferromagnetic Layer","Journal of the American Chemical Society","2007","129","","15738","15739","10.1021/ja074962i","","","0.71073","MoKα","","0.0463","0.0394","","","0.0919","0.095","","","","","","1.113","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110303","9.722","0.003","7.723","0.002","15.01","0.004","90","","91.352","0.005","90","","1126.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Co2 N8 O6 -","- C22 H16 Co2 N8 O6 -","- C44 H32 Co4 N16 O12 -","2","0.5","","Xiao-Ning Cheng; Wei-Xiong Zhang; Xiao-Ming Chen","Single Crystal-to-Single Crystal Transformation from Ferromagnetic Discrete Molecules to a Spin-Canting Antiferromagnetic Layer","Journal of the American Chemical Society","2007","129","","15738","15739","10.1021/ja074962i","","","0.71073","MoKα","","0.0612","0.0457","","","0.0957","0.102","","","","","","1.108","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110304","18.3532","0.0011","18.3532","0.0011","40.667","0.003","90","","90","","120","","11863.1","1.3","295","2","295","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","UMCM-150","","","- C30 H14 Cu3 O14 -","- C30 H14 Cu3 O14 -","- C180 H84 Cu18 O84 -","6","0.25","","Antek G. Wong-Foy; Olivier Lebel; Adam J. Matzger","Porous Crystal Derived from a Tricarboxylate Linker with Two Distinct Binding Motifs","Journal of the American Chemical Society","2007","129","","15740","15741","10.1021/ja0753952","","","1.5418","CuKα","","0.1576","0.0898","","","0.1912","0.2217","","","","","","1.089","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110305","10.9503","0.0004","17.684","0.001","23.9264","0.0012","104.52","0.002","96.031","0.003","91.682","0.003","4453","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C97 H60 Cl5 F18 N5 O15 S2 -","- C96.7 H55.8 Cl5 F17.4 N5 O14.9 S2 -","- C193.4 H111.6 Cl10 F34.8 N10 O29.8 S4 -","2","1","","Howard M. Colquhoun; Zhixue Zhu; Christine J. Cardin; Yu Gan; Michael G. B. Drew","Sterically Controlled Recognition of Macromolecular Sequence Information by Molecular Tweezers","Journal of the American Chemical Society","2007","129","","16163","16174","10.1021/ja0759996","","","0.71073","MoKα","","0.171","0.1393","","","0.3912","0.4179","","","","","","1.695","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110306","14.688","0.017","25.33","0.03","20.85","0.02","90","","101.701","0.01","90","","7596","15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H50 F30 N4 O11 -","- C82 H48 F30 N4 O11 -","- C328 H192 F120 N16 O44 -","4","1","","Howard M. Colquhoun; Zhixue Zhu; Christine J. Cardin; Yu Gan; Michael G. B. Drew","Sterically Controlled Recognition of Macromolecular Sequence Information by Molecular Tweezers","Journal of the American Chemical Society","2007","129","","16163","16174","10.1021/ja0759996","","","1.54178","CuKα","","0.1719","0.139","","","0.3862","0.4211","","","","","","1.607","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110307","12.631","0.003","6.1265","0.0013","13.649","0.003","90","","91.167","0.005","90","","1056","0.4","143","1","143","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H26 O4 -","- C25 H26 O4 -","- C50 H52 O8 -","2","1","","Luca Salvi; Sang-Jin Jeon; Ethan L. Fisher; Patrick J. Carroll; Patrick J. Walsh","Catalytic Asymmetric Generation of (Z)-Disubstituted Allylic Alcohols","Journal of the American Chemical Society","2007","129","","16119","16125","10.1021/ja0762285","","","0.71073","MoKα","","0.0542","0.0437","","","0.0888","0.0971","","","","","","1.099","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110308","6.4191","0.0008","12.2108","0.0016","27.39","0.004","90","","90","","90","","2146.9","0.5","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 O5 -","- C25 H26 O5 -","- C100 H104 O20 -","4","1","","Luca Salvi; Sang-Jin Jeon; Ethan L. Fisher; Patrick J. Carroll; Patrick J. Walsh","Catalytic Asymmetric Generation of (Z)-Disubstituted Allylic Alcohols","Journal of the American Chemical Society","2007","129","","16119","16125","10.1021/ja0762285","","","0.71073","MoKα","","0.0693","0.0501","","","0.1049","0.1225","","","","","","1.119","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110309","24.831","0.005","13.989","0.003","19.483","0.004","90","","111.7","0.03","90","","6288","3","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C82 H59 N O14 -","- C82 H59 N O14 -","- C328 H236 N4 O56 -","4","1","","Zuo Xiao; Jiayao Yao; Dazhi Yang; Fudong Wang; Shaohua Huang; Liangbing Gan; Zhenshan Jia; Zhongping Jiang; Xiaobing Yang; Bo Zheng; Gu Yuan; Shiwei Zhang; Zheming Wang","Synthesis of [59]Fullerenones through Peroxide-Mediated Stepwise Cleavage of Fullerene Skeleton Bonds and X-ray Structures of Their Water-Encapsulated Open-Cage Complexes","Journal of the American Chemical Society","2007","129","","16149","16162","10.1021/ja0763798","","","0.71073","MoKα","","0.1989","0.0796","","","0.1678","0.1953","","","","","","1.027","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110310","13.586","0.003","17.026","0.003","17.336","0.004","87.21","0.03","77.5","0.03","75.58","0.03","3791.6","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H46 Cl12 N2 O13 -","- C90 H46 Cl12 N2 O13 -","- C180 H92 Cl24 N4 O26 -","2","1","","Zuo Xiao; Jiayao Yao; Dazhi Yang; Fudong Wang; Shaohua Huang; Liangbing Gan; Zhenshan Jia; Zhongping Jiang; Xiaobing Yang; Bo Zheng; Gu Yuan; Shiwei Zhang; Zheming Wang","Synthesis of [59]Fullerenones through Peroxide-Mediated Stepwise Cleavage of Fullerene Skeleton Bonds and X-ray Structures of Their Water-Encapsulated Open-Cage Complexes","Journal of the American Chemical Society","2007","129","","16149","16162","10.1021/ja0763798","","","0.71073","MoKα","","0.1283","0.0789","","","0.2143","0.2411","","","","","","1.013","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110311","11.6078","0.0003","14.2697","0.0004","14.6697","0.0004","87.253","0.002","85.787","0.002","88.37","0.001","2419.78","0.11","200","2","200","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H18 Br Cl2 N O8 S2 -","- C72 H18 Br Cl2 N O8 S2 -","- C144 H36 Br2 Cl4 N2 O16 S4 -","2","1","","Zuo Xiao; Jiayao Yao; Dazhi Yang; Fudong Wang; Shaohua Huang; Liangbing Gan; Zhenshan Jia; Zhongping Jiang; Xiaobing Yang; Bo Zheng; Gu Yuan; Shiwei Zhang; Zheming Wang","Synthesis of [59]Fullerenones through Peroxide-Mediated Stepwise Cleavage of Fullerene Skeleton Bonds and X-ray Structures of Their Water-Encapsulated Open-Cage Complexes","Journal of the American Chemical Society","2007","129","","16149","16162","10.1021/ja0763798","","","0.71073","MoKα","","0.1244","0.0497","","","0.1108","0.1258","","","","","","0.914","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110312","14.3254","0.0002","14.6236","0.0002","15.6704","0.0003","78.9479","0.0009","67.0876","0.0009","62.6231","0.0007","2684.79","0.08","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H15.65 Br Cl9 D3 N O8.83 -","- C72 H17 Br Cl9 N O8.826 -","- C144 H34 Br2 Cl18 N2 O17.652 -","2","1","","Zuo Xiao; Jiayao Yao; Dazhi Yang; Fudong Wang; Shaohua Huang; Liangbing Gan; Zhenshan Jia; Zhongping Jiang; Xiaobing Yang; Bo Zheng; Gu Yuan; Shiwei Zhang; Zheming Wang","Synthesis of [59]Fullerenones through Peroxide-Mediated Stepwise Cleavage of Fullerene Skeleton Bonds and X-ray Structures of Their Water-Encapsulated Open-Cage Complexes","Journal of the American Chemical Society","2007","129","","16149","16162","10.1021/ja0763798","","","0.71073","MoKα","","0.0869","0.0465","","","0.1108","0.1213","","","","","","1.06","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110313","12.7939","0.0003","14.6804","0.0003","14.8585","0.0004","80.4622","0.0009","89.7112","0.001","69.6389","0.0009","2576","0.11","200","","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H7 Cl12 D4 N O7 -","- C69 H11 Cl12 N O7 -","- C138 H22 Cl24 N2 O14 -","2","1","","Zuo Xiao; Jiayao Yao; Dazhi Yang; Fudong Wang; Shaohua Huang; Liangbing Gan; Zhenshan Jia; Zhongping Jiang; Xiaobing Yang; Bo Zheng; Gu Yuan; Shiwei Zhang; Zheming Wang","Synthesis of [59]Fullerenones through Peroxide-Mediated Stepwise Cleavage of Fullerene Skeleton Bonds and X-ray Structures of Their Water-Encapsulated Open-Cage Complexes","Journal of the American Chemical Society","2007","129","","16149","16162","10.1021/ja0763798","","","0.71073","MoKα","","0.1223","0.0658","","","0.1863","0.2127","","","","","","1.044","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110314","15.8356","0.0008","15.1379","0.0008","26.5935","0.0014","90","","90","","90","","6374.9","0.6","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","Compound 6","","","- C74 H92 O2 Sn2 -","- C74 H92 O2 Sn2 -","- C296 H368 O8 Sn8 -","4","1","","Eric Rivard; Roland C. Fischer; Robert Wolf; Yang Peng; W. Alexander Merrill; Nathan D. Schley; Zhongliang Zhu; Lihung Pu; James C. Fettinger; Simon J. Teat; Isreal Nowik; Rolfe H. Herber; Nozomi Takagi; Shigeru Nagase; Philip P. Power","Isomeric Forms of Heavier Main Group Hydrides: Experimental and Theoretical Studies of the [Sn(Ar)H]2 (Ar = Terphenyl) System","Journal of the American Chemical Society","2007","129","","16197","16208","10.1021/ja076453m","","","0.71073","MoKα","","0.0519","0.0425","","","0.1012","0.1058","","","","","","1.068","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110315","17.488","0.003","11.6926","0.0017","17.666","0.003","90","","94.351","0.003","90","","3601.9","1","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Compound 10","","","- C80 H104 Sn2 -","- C80 H104 Sn2 -","- C160 H208 Sn4 -","2","0.5","","Eric Rivard; Roland C. Fischer; Robert Wolf; Yang Peng; W. Alexander Merrill; Nathan D. Schley; Zhongliang Zhu; Lihung Pu; James C. Fettinger; Simon J. Teat; Isreal Nowik; Rolfe H. Herber; Nozomi Takagi; Shigeru Nagase; Philip P. Power","Isomeric Forms of Heavier Main Group Hydrides: Experimental and Theoretical Studies of the [Sn(Ar)H]2 (Ar = Terphenyl) System","Journal of the American Chemical Society","2007","129","","16197","16208","10.1021/ja076453m","","","0.71073","MoKα","","0.1089","0.0674","","","0.1629","0.187","","","","","","1.065","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110316","11.436","0.0007","25.5484","0.0015","12.8457","0.0007","90","","114.757","0.001","90","","3408.2","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 14","","","- C70 H102 O Si2 Sn2 -","- C70 H102 O Si2 Sn2 -","- C140 H204 O2 Si4 Sn4 -","2","0.5","","Eric Rivard; Roland C. Fischer; Robert Wolf; Yang Peng; W. Alexander Merrill; Nathan D. Schley; Zhongliang Zhu; Lihung Pu; James C. Fettinger; Simon J. Teat; Isreal Nowik; Rolfe H. Herber; Nozomi Takagi; Shigeru Nagase; Philip P. Power","Isomeric Forms of Heavier Main Group Hydrides: Experimental and Theoretical Studies of the [Sn(Ar)H]2 (Ar = Terphenyl) System","Journal of the American Chemical Society","2007","129","","16197","16208","10.1021/ja076453m","","","0.71073","MoKα","","0.0439","0.0327","","","0.0821","0.0868","","","","","","1.077","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110317","33.9416","0.0013","33.9416","0.0013","14.7839","0.0012","90","","90","","90","","17031.5","1.7","90","2","90","2","","","","","","","","3","P 42/n :2","-P 4bc","86","Compound 16","","","- C87 H131 Sn2 -","- C87 H129 Sn2 -","- C696 H1032 Sn16 -","8","1","","Eric Rivard; Roland C. Fischer; Robert Wolf; Yang Peng; W. Alexander Merrill; Nathan D. Schley; Zhongliang Zhu; Lihung Pu; James C. Fettinger; Simon J. Teat; Isreal Nowik; Rolfe H. Herber; Nozomi Takagi; Shigeru Nagase; Philip P. Power","Isomeric Forms of Heavier Main Group Hydrides: Experimental and Theoretical Studies of the [Sn(Ar)H]2 (Ar = Terphenyl) System","Journal of the American Chemical Society","2007","129","","16197","16208","10.1021/ja076453m","","","0.7749","","","0.0748","0.0679","","","0.192","0.1956","","","","","","1.141","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110318","11.394","0.002","5.1116","0.0011","16.983","0.004","90","","100.583","0.005","90","","972.3","0.4","298.1","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 -","- C28 H26 -","- C56 H52 -","2","0.5","","Tamotsu Takahashi; Ken Kashima; Shi Li; Kiyohiko Nakajima; Ken-ichiro Kanno","Isolation of 6,13-Dipropylpentacene and Its Tautomerization","Journal of the American Chemical Society","2007","129","","15752","15753","10.1021/ja076819v","","","0.71075","MoKα","","","0.0998","","","","0.1084","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110319","10.9062","0.001","22.998","0.002","16.7888","0.0014","90","","102.656","0.002","90","","4108.7","0.6","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H47 F9 N6 O11 S3 Zn2 -","- C25 H47 F8.998 N6 O11 S3 Zn2 -","- C100 H188 F35.992 N24 O44 S12 Zn8 -","4","1","","Shannon E. Bunn; C. Tony Liu; Zhong-Lin Lu; Alexei A. Neverov; R. Stan Brown","The Dinuclear Zn(II) Complex Catalyzed Cyclization of a Series of 2-Hydroxypropyl Aryl Phosphate RNA Models: Progressive Change in Mechanism from Rate-Limiting P-O Bond Cleavage to Substrate Binding","Journal of the American Chemical Society","2007","129","","16238","16248","10.1021/ja076847d","","","0.71073","MoKα","","0.0573","0.0373","","","0.094","0.1005","","","","","","1","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110320","13.8412","0.0011","14.239","0.0011","32.135","0.002","90","","93.3721","0.0011","90","","6322.4","0.8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 N P Ru Si -","- C33 H48 N P Ru Si -","- C264 H384 N8 P8 Ru8 Si8 -","8","2","","Matthew A. Rankin; Darren F. MacLean; Gabriele Schatte; Robert McDonald; Mark Stradiotto","Silylene Extrusion from Organosilanes via Double Geminal Si-H Bond Activation by a Cp*Ru(κ2-P,N)+ Complex: Observation of a Key Stoichiometric Step in the Glaser-Tilley Alkene Hydrosilylation Mechanism","Journal of the American Chemical Society","2007","129","","15855","15864","10.1021/ja0768800","","","0.71073","MoKα","","0.04","0.031","","","0.0752","0.0806","","","","","","1.113","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110321","12.618","0.0003","13.539","0.0003","19.453","0.0004","90","","117.927","0.0013","90","","2936.24","0.12","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 F3 N O3 P Ru S -","- C28 H41 F3 N O3 P Ru S -","- C112 H164 F12 N4 O12 P4 Ru4 S4 -","4","1","","Matthew A. Rankin; Darren F. MacLean; Gabriele Schatte; Robert McDonald; Mark Stradiotto","Silylene Extrusion from Organosilanes via Double Geminal Si-H Bond Activation by a Cp*Ru(κ2-P,N)+ Complex: Observation of a Key Stoichiometric Step in the Glaser-Tilley Alkene Hydrosilylation Mechanism","Journal of the American Chemical Society","2007","129","","15855","15864","10.1021/ja0768800","","","0.71073","MoKα","","0.0393","0.0319","","","0.0709","0.0749","","","","","","1.065","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110322","11.181","0.0002","17.826","0.0004","17.899","0.0004","90","","97.091","0.0014","90","","3540.21","0.13","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C34 H49 F3 N O3 P Ru S Si -","- C34 H49 F3 N O3 P Ru S Si -","- C136 H196 F12 N4 O12 P4 Ru4 S4 Si4 -","4","1","","Matthew A. Rankin; Darren F. MacLean; Gabriele Schatte; Robert McDonald; Mark Stradiotto","Silylene Extrusion from Organosilanes via Double Geminal Si-H Bond Activation by a Cp*Ru(κ2-P,N)+ Complex: Observation of a Key Stoichiometric Step in the Glaser-Tilley Alkene Hydrosilylation Mechanism","Journal of the American Chemical Society","2007","129","","15855","15864","10.1021/ja0768800","","","0.71073","MoKα","","0.0835","0.069","","","0.1486","0.1539","","","","","","1.293","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110323","10.8889","0.0003","19.4246","0.0005","19.38","0.0007","90","","110.163","0.002","90","","3847.9","0.2","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C40 H53 F3 N O3 P Ru S Si -","- C40 H53 F3 N O3 P Ru S Si -","- C160 H212 F12 N4 O12 P4 Ru4 S4 Si4 -","4","1","","Matthew A. Rankin; Darren F. MacLean; Gabriele Schatte; Robert McDonald; Mark Stradiotto","Silylene Extrusion from Organosilanes via Double Geminal Si-H Bond Activation by a Cp*Ru(κ2-P,N)+ Complex: Observation of a Key Stoichiometric Step in the Glaser-Tilley Alkene Hydrosilylation Mechanism","Journal of the American Chemical Society","2007","129","","15855","15864","10.1021/ja0768800","","","0.71073","MoKα","","0.0687","0.0442","","","0.0844","0.0947","","","","","","1.035","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110324","9.4515","0.0003","12.7981","0.0003","29.7747","0.001","90","","97.4604","0.0014","90","","3571.1","0.19","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C34 H49 F3 N O3 P Ru S Si -","- C34 H49 F3 N O3 P Ru S Si -","- C136 H196 F12 N4 O12 P4 Ru4 S4 Si4 -","4","1","","Matthew A. Rankin; Darren F. MacLean; Gabriele Schatte; Robert McDonald; Mark Stradiotto","Silylene Extrusion from Organosilanes via Double Geminal Si-H Bond Activation by a Cp*Ru(κ2-P,N)+ Complex: Observation of a Key Stoichiometric Step in the Glaser-Tilley Alkene Hydrosilylation Mechanism","Journal of the American Chemical Society","2007","129","","15855","15864","10.1021/ja0768800","","","0.71073","MoKα","","0.074","0.0444","","","0.0848","0.0982","","","","","","1.05","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110325","7.927","0.0003","13.6459","0.0005","19.4939","0.0008","90","","90","","90","","2108.68","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 O6 -","- C19 H36 O6 -","- C76 H144 O24 -","4","1","","Andrew K. Dilger; Vijay Gopalsamuthiram; Steven D. Burke","A Two-Directional Approach to a (-)-Dictyostatin C11-C23 Segment: Development of a Highly Diastereoselective, Kinetically-Controlled Meerwein-Ponndorf-Verley Reduction","Journal of the American Chemical Society","2007","129","","16273","16277","10.1021/ja077336u","","","0.71073","Mo-Kα","","0.0308","0.0296","","","0.0784","0.0801","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110326","16.046","0.006","9.509","0.004","17.196","0.006","90","","115.585","0.005","90","","2366.5","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 F6 Fe N4 O6 S2 -","- C16 H24 F6 Fe N4 O6 S2 -","- C64 H96 F24 Fe4 N16 O24 S8 -","4","1","","Anna Company; Laura Gómez; Mireia Güell; Xavi Ribas; Josep M. Luis; Lawrence Que; Miquel Costas","Alkane Hydroxylation by a Nonheme Iron Catalyst that Challenges the Heme Paradigm for Oxygenase Action","Journal of the American Chemical Society","2007","129","","15766","15767","10.1021/ja077761n","","","0.71073","MoKα","","0.1496","0.0663","","","0.1533","0.1973","","","","","","0.997","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110327","11.631","0.002","9.4534","0.0018","8.2775","0.0016","90","","107.643","0.003","90","","867.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 O2 -","- C8 H18 O2 -","- C32 H72 O8 -","4","1","","Matthew B. Boxer; Hisashi Yamamoto","Tris(trimethylsilyl)silyl-Governed Aldehyde Cross-Aldol Cascade Reaction","Journal of the American Chemical Society","2006","128","","48","49","10.1021/ja054725k","","","0.71073","MoKα","","0.0453","0.0424","","","0.1177","0.1205","","","","","","1.048","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110328","10.08","0.003","22.194","0.006","26.478","0.007","66.357","0.004","89.047","0.005","88.998","0.005","5425","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H160 N4 O10 S2 Si16 -","- C72 H160 N4 O10 S2 Si16 -","- C144 H320 N8 O20 S4 Si32 -","2","1","","Matthew B. Boxer; Hisashi Yamamoto","Tris(trimethylsilyl)silyl-Governed Aldehyde Cross-Aldol Cascade Reaction","Journal of the American Chemical Society","2006","128","","48","49","10.1021/ja054725k","","","0.71073","MoKα","","0.1683","0.1058","","","0.2316","0.2612","","","","","","1.12","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110329","9.703","0.002","14.181","0.004","20.077","0.005","73.779","0.004","88.715","0.005","75.953","0.004","2570.2","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H78 N2 O5 S Si8 -","- C34 H78 N2 O5 S Si8 -","- C68 H156 N4 O10 S2 Si16 -","2","1","","Matthew B. Boxer; Hisashi Yamamoto","Tris(trimethylsilyl)silyl-Governed Aldehyde Cross-Aldol Cascade Reaction","Journal of the American Chemical Society","2006","128","","48","49","10.1021/ja054725k","","","0.71073","MoKα","","0.0846","0.0534","","","0.0959","0.1048","","","","","","0.942","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110330","9.803","0.004","22.251","0.009","27.639","0.011","109.7","0.007","98.805","0.007","91.992","0.007","5585","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H80 N2 O6 S Si8 -","- C39 H80 N2 O6 S Si8 -","- C156 H320 N8 O24 S4 Si32 -","4","2","","Matthew B. Boxer; Hisashi Yamamoto","Tris(trimethylsilyl)silyl-Governed Aldehyde Cross-Aldol Cascade Reaction","Journal of the American Chemical Society","2006","128","","48","49","10.1021/ja054725k","","","0.71073","MoKα","","0.15","0.0811","","","0.1378","0.1629","","","","","","0.983","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110331","4.82","0.0001","15.6821","0.0002","11.5593","0.0002","90","","94.141","0.001","90","","871.46","0.03","220","2","220","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 O2 S2 -","- C8 H8 O2 S2 -","- C32 H32 O8 S8 -","4","1","","Eli Zysman-Colman; Neysa Nevins; Nicolas Eghbali; James P. Snyder; David N. Harpp","Crossover Point between Dialkoxy Disulfides (ROSSOR) and Thionosulfites ((RO)2SS): Prediction, Synthesis, and Structure","Journal of the American Chemical Society","2006","128","","291","304","10.1021/ja0559395","","","1.54178","CuKα","","0.0473","0.0382","","","0.1037","0.1078","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110332","7.8807","0.0005","15.024","0.0008","7.2198","0.0004","90","","93.278","0.004","90","","853.42","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 O2 S2 -","- C8 H8 O2 S2 -","- C32 H32 O8 S8 -","4","1","","Eli Zysman-Colman; Neysa Nevins; Nicolas Eghbali; James P. Snyder; David N. Harpp","Crossover Point between Dialkoxy Disulfides (ROSSOR) and Thionosulfites ((RO)2SS): Prediction, Synthesis, and Structure","Journal of the American Chemical Society","2006","128","","291","304","10.1021/ja0559395","","","1.54178","CuKα","","0.0399","0.039","","","0.1174","0.1187","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110333","11.2787","0.0002","8.8934","0.0002","16.4636","0.0003","90","","90","","90","","1651.4","0.06","220","2","220","2","","","","","","","Synthesized by the authors. See text","4","P b c a","-P 2ac 2ab","61","","","","- C8 H8 O3 S -","- C8 H8 O3 S -","- C64 H64 O24 S8 -","8","1","","Eli Zysman-Colman; Neysa Nevins; Nicolas Eghbali; James P. Snyder; David N. Harpp","Crossover Point between Dialkoxy Disulfides (ROSSOR) and Thionosulfites ((RO)2SS): Prediction, Synthesis, and Structure","Journal of the American Chemical Society","2006","128","","291","304","10.1021/ja0559395","","","1.54178","CuKα","","0.0434","0.0372","","","0.0954","0.0997","","","","","","1.004","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110334","13.5485","0.0002","14.9235","0.0002","4.3766","0.0001","90","","90","","90","","884.91","0.03","220","2","220","2","","","","","","","Synthesized by the authors. See text","4","P b a 2","P 2 -2ab","32","","","","- C16 H16 O4 S4 -","- C16 H16 O4 S4 -","- C32 H32 O8 S8 -","2","0.5","","Eli Zysman-Colman; Neysa Nevins; Nicolas Eghbali; James P. Snyder; David N. Harpp","Crossover Point between Dialkoxy Disulfides (ROSSOR) and Thionosulfites ((RO)2SS): Prediction, Synthesis, and Structure","Journal of the American Chemical Society","2006","128","","291","304","10.1021/ja0559395","","","1.54178","CuKα","","0.0423","0.0382","","","0.1013","0.1031","","","","","","1.039","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110335","8.628","0.002","12.607","0.003","15.573","0.004","76.061","0.004","77.347","0.003","75.608","0.003","1569.5","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(2-sec-butylphenolato)- {hydrotris(3-isopropylpyrazol-1-yl)borato}- oxothiomolybdenum(VI)","","- C28 H41 B Mo N6 O2 S -","- C28 H40 B Mo N6 O2 S -","- C56 H80 B2 Mo2 N12 O4 S2 -","2","1","","Christian J. Doonan; David J. Nielsen; Paul D. Smith; Jonathan M. White; Graham N. George; Charles G. Young","Models for the Molybdenum Hydroxylases: Synthesis, Characterization and Reactivity of cis-Oxosulfido-Mo(VI) Complexes","Journal of the American Chemical Society","2006","128","","305","316","10.1021/ja056109u","","","0.71073","MoKα","","0.0877","0.0553","","","0.1252","0.135","","","","","","0.909","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110336","8.5722","0.001","13.0096","0.0015","14.568","0.0018","81.325","0.003","85.151","0.002","80.16","0.003","1579.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(2-tert-butylphenolato)- {hydrotris(3-isopropylpyrazol-1-yl)borato}- oxothiomolybdenum(VI)","","- C28 H41 B Mo N6 O2 S -","- C28 H41 B Mo N6 O2 S -","- C56 H82 B2 Mo2 N12 O4 S2 -","2","1","","Christian J. Doonan; David J. Nielsen; Paul D. Smith; Jonathan M. White; Graham N. George; Charles G. Young","Models for the Molybdenum Hydroxylases: Synthesis, Characterization and Reactivity of cis-Oxosulfido-Mo(VI) Complexes","Journal of the American Chemical Society","2006","128","","305","316","10.1021/ja056109u","","","0.71073","MoKα","","0.0891","0.0706","","","0.1216","0.1296","","","","","","1.152","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110337","23.424","0.003","8.537","0.001","35.313","0.004","90","","93.073","0.002","90","","7051.4","1.5","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","{hydrotris(3-isopropylpyrazol-1-yl)borato}- oxo(4-phenylphenolato)thiomolybdenum(VI)","","- C33 H41.5 B Mo N7.5 O2 S -","- C33 H37 B Mo N7.5 O2 S -","- C264 H296 B8 Mo8 N60 O16 S8 -","8","1","","Christian J. Doonan; David J. Nielsen; Paul D. Smith; Jonathan M. White; Graham N. George; Charles G. Young","Models for the Molybdenum Hydroxylases: Synthesis, Characterization and Reactivity of cis-Oxosulfido-Mo(VI) Complexes","Journal of the American Chemical Society","2006","128","","305","316","10.1021/ja056109u","","","0.71073","MoKα","","0.0758","0.0747","","","0.1625","0.163","","","","","","1.449","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110338","11.544","0.003","11.58","0.003","17.527","0.004","80.907","0.005","70.853","0.005","80.146","0.004","2167.6","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","mu-disulfidobis[(3,5-di-tert-butylphenolato)- {hydrotris(3-isopropylpyrazol-1-yl)borato}- oxomolybdenum(V)]","","- C38 H49 B Mo N6 O2 S -","- C38.245 H49 B Mo N6 O2 S -","- C76.49 H98 B2 Mo2 N12 O4 S2 -","2","1","","Christian J. Doonan; David J. Nielsen; Paul D. Smith; Jonathan M. White; Graham N. George; Charles G. Young","Models for the Molybdenum Hydroxylases: Synthesis, Characterization and Reactivity of cis-Oxosulfido-Mo(VI) Complexes","Journal of the American Chemical Society","2006","128","","305","316","10.1021/ja056109u","","","0.71073","MoKα","","0.077","0.0583","","","0.1485","0.1559","","","","","","0.971","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110339","17.9498","0.0009","19.1027","0.001","31.9945","0.0017","90","","102.194","0.001","90","","10723.1","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","mu-disulfido-mu-oxobis- [{hydrotris(3-isopropylpyrazol-1-yl)borato}- oxomolybdenum(V)]","","- C36 H56 B2 Mo2 N12 O3 S2 -","- C36 H56 B2 Mo2 N12 O3 S2 -","- C288 H448 B16 Mo16 N96 O24 S16 -","8","2","","Christian J. Doonan; David J. Nielsen; Paul D. Smith; Jonathan M. White; Graham N. George; Charles G. Young","Models for the Molybdenum Hydroxylases: Synthesis, Characterization and Reactivity of cis-Oxosulfido-Mo(VI) Complexes","Journal of the American Chemical Society","2006","128","","305","316","10.1021/ja056109u","","","0.71073","MoKα","","0.1201","0.0633","","","0.1889","0.206","","","","","","0.937","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110340","16.101","0.005","17.766","0.005","20.42","0.005","90","0.005","90","0.005","90","0.005","5841","3","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","{hydrotris(3-isopropylpyrazol-1-yl)borato}- (2-mercaptonaphthalato)oxomolybdenum(V)","","- C28 H34 B Cl0 Mo N6 O2 S -","- C28 H34 B Mo N6 O2 S -","- C224 H272 B8 Mo8 N48 O16 S8 -","8","1","","Christian J. Doonan; David J. Nielsen; Paul D. Smith; Jonathan M. White; Graham N. George; Charles G. Young","Models for the Molybdenum Hydroxylases: Synthesis, Characterization and Reactivity of cis-Oxosulfido-Mo(VI) Complexes","Journal of the American Chemical Society","2006","128","","305","316","10.1021/ja056109u","","","0.71073","MoKα","","0.0998","0.0512","","","0.1022","0.1724","","","","","","1.647","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110341","12.9803","0.0005","18.2873","0.0007","23.046","0.0008","90","","90","","90","","5470.5","0.4","152","2","152","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Ni(P(Ph)2N(Ph)2)2(CH3CN)](BF4)2","6a","","- C58 H59 B2 F8 N5 Ni P4 -","- C58 H59 B2 F8 N5 Ni P4 -","- C232 H236 B8 F32 N20 Ni4 P16 -","4","1","","Aaron D. Wilson; Rachel H. Newell; Michael J. McNevin; James T. Muckerman; M. Rakowski DuBois; Daniel L. DuBois","Hydrogen Oxidation and Production Using Nickel-Based Molecular Catalysts with Positioned Proton Relays","Journal of the American Chemical Society","2006","128","","358","366","10.1021/ja056442y","","","0.71073","MoKα","","0.1763","0.0809","","","0.1436","0.1753","","","","","","0.968","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110342","17.571","0.013","16.235","0.011","23.576","0.017","90","","99.754","0.015","90","","6628","8","157","2","157","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ni(P(Cy)2N(Bz)2)2](BF4)","6b","","- C64 H94 B2 F8 N6 Ni P4 -","- C64 H94 B2 F8 N6 Ni P4 -","- C256 H376 B8 F32 N24 Ni4 P16 -","4","0.5","","Aaron D. Wilson; Rachel H. Newell; Michael J. McNevin; James T. Muckerman; M. Rakowski DuBois; Daniel L. DuBois","Hydrogen Oxidation and Production Using Nickel-Based Molecular Catalysts with Positioned Proton Relays","Journal of the American Chemical Society","2006","128","","358","366","10.1021/ja056442y","","","0.71073","MoKα","","0.1005","0.0651","","","0.1633","0.1888","","","","","","0.962","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110343","37.026","0.016","14.541","0.006","19.374","0.009","90","","105.1","0.007","90","","10071","8","223","2","223","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C93 H92 B Cl6 F4 Fe5 N16 O23 -","- C90 H76 Cl6 Fe5 N16 O18 -","- C360 H304 Cl24 Fe20 N64 O72 -","4","0.5","","Kil Sik Min; Arnold L. Rhinegold; Joel S. Miller","Tris(chloranilato)ferrate(III) Anionic Building Block Containing the (Dihydroxo)oxodiiron(III) Dimer Cation: Synthesis and Characterization of [(TPA)(OH)FeIIIOFeIII(OH)(TPA)][Fe(CA)3]0.5(BF4)0.5.1.5MeOH.H2O [TPA = tris(2-pyridylmethyl)amine; CA = chloranilate]","Journal of the American Chemical Society","2006","128","","40","41","10.1021/ja0566984","","","0.71073","MoKα","","0.0824","0.0608","","","0.1449","0.1548","","","","","","1.057","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110344","14.2165","0.0008","14.2165","0.0008","21.748","0.002","90","","90","","120","","3806.6","0.5","293","2","293","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","[Cd7(C5HN2O4)6].Na4.(H2O)7.(C10H8N2)3","","","- C60 H44 Cd7 N18 Na4 O31 -","- C60 H30 Cd7 N18 Na3.98 O31 -","- C120 H60 Cd14 N36 Na7.96 O62 -","2","0.166667","","Wen-Guan Lu; Cheng-Yong Su; Tong-Bu Lu; Long Jiang; Jia-Mei Chen","Two Stable 3D Metal-Organic Frameworks Constructed by Nanoscale Cages via Sharing the Single-Layer Walls","Journal of the American Chemical Society","2006","128","","34","35","10.1021/ja0567337","","","0.71073","MoKα","","0.072","0.0534","","","0.1432","0.1598","","","","","","1.081","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110345","14.3027","0.001","14.3027","0.001","21.493","0.003","90","","90","","120","","3807.7","0.7","293","2","293","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","[Cd7(C5HN2O4)6].K3.(H2O)6.(C16H36N)","","","- C46 H54 Cd7 K3 N13 O30 -","- C45.96 H6 Cd7 K3 N13 O30 -","- C91.92 H12 Cd14 K6 N26 O60 -","2","0.166667","","Wen-Guan Lu; Cheng-Yong Su; Tong-Bu Lu; Long Jiang; Jia-Mei Chen","Two Stable 3D Metal-Organic Frameworks Constructed by Nanoscale Cages via Sharing the Single-Layer Walls","Journal of the American Chemical Society","2006","128","","34","35","10.1021/ja0567337","","","0.71073","MoKα","","0.0657","0.0551","","","0.1434","0.1551","","","","","","1.027","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110346","24.84","0.007","50.544","0.013","48.629","0.012","90","","102.003","0.005","90","","59719","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C452 H430 B10 Cu12 F40 N128 O40 -","- C452 H430 B10 Cu12 F40 N128 O40 -","- C1808 H1720 B40 Cu48 F160 N512 O160 -","4","0.5","","Stephen P. Argent; Harry Adams; Thomas Riis-Johannessen; John C. Jeffery; Lindsay P. Harding; Michael D. Ward","High-nuclearity Homoleptic and Heteroleptic Coordination Cages Based on Tetra-Capped Truncated Tetrahedral and Cuboctahedral Metal Frameworks","Journal of the American Chemical Society","2006","128","","72","73","10.1021/ja056993o","","","0.71073","MoKα","","0.1789","0.0968","","","0.2513","0.2943","","","","","","0.812","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110347","29.7224","0.0008","30.1896","0.0008","52.4872","0.0013","87.581","0.001","79.978","0.001","70.105","0.001","43603","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C622 H549 Cd16 Cl28 N167 O112 -","- C622 H549 Cd16 Cl28 N167 O112 -","- C1244 H1098 Cd32 Cl56 N334 O224 -","2","1","","Stephen P. Argent; Harry Adams; Thomas Riis-Johannessen; John C. Jeffery; Lindsay P. Harding; Michael D. Ward","High-nuclearity Homoleptic and Heteroleptic Coordination Cages Based on Tetra-Capped Truncated Tetrahedral and Cuboctahedral Metal Frameworks","Journal of the American Chemical Society","2006","128","","72","73","10.1021/ja056993o","","","1.54178","CuKα","","0.1489","0.1269","","","0.3487","0.382","","","","","","1.396","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110348","12.6666","0.001","19.3167","0.0015","8.4376","0.0006","90","","105.406","0.006","90","","1990.3","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 B N O2 -","- C22 H28 B N O2 -","- C88 H112 B4 N4 O8 -","4","1","","Joshua D. Sieber; James P. Morken","Sequential Pd-Catalyzed Asymmetric Allene Diboration/α-Aminoallylation","Journal of the American Chemical Society","2006","128","","74","75","10.1021/ja057020r","","","0.71073","MolybdenumKα","","0.161","0.071","","0.084","","0.072","","","","","","2.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110349","10.6147","0.0007","11.491","0.0008","18.4226","0.0012","90","","99.385","0.001","90","","2217","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","like-[CpRe(NO){P(Me)(Ph)(C6H4o-NMe2)}]O3SMe","","","- C21 H26 N2 O4 P Re S -","- C21 H26 N2 O4 P Re S -","- C84 H104 N8 O16 P4 Re4 S4 -","4","1","","Frank Bock; Frank Fischer; Wolfdieter A. Schenk","Diastereoselective Proton Transfer: A Route to Enantiomerically Pure Half-Sandwich Rhenium Complexes","Journal of the American Chemical Society","2006","128","","68","69","10.1021/ja057089z","","","0.71073","MoKα","","0.0395","0.0365","","","0.0962","0.0981","","","","","","1.077","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110350","8.06","0.002","15.729","0.005","8.241","0.003","90","","106.582","0.005","90","","1001.3","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","Cp-methyl-nitrosyl-(methyl-phenyl-(o-dimethylaminophenyl)phosphine)rhenium","","","- C21 H26 N2 O P Re -","- C21 H26 N2 O P Re -","- C42 H52 N4 O2 P2 Re2 -","2","1","","Frank Bock; Frank Fischer; Wolfdieter A. Schenk","Diastereoselective Proton Transfer: A Route to Enantiomerically Pure Half-Sandwich Rhenium Complexes","Journal of the American Chemical Society","2006","128","","68","69","10.1021/ja057089z","","","0.71073","MoKα","","0.0294","0.028","","","0.0689","0.0696","","","","","","1.056","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110351","11.1512","0.0007","13.6587","0.0011","14.6425","0.0007","90","","97.908","0.007","90","","2209","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","unlike-[CpRe(NO){P(Me)(Ph)(C6H4o-NMe2)}]O3SMe","","","- C21 H26 N2 O4 P Re S -","- C21 H26 N2 O4 P Re S -","- C84 H104 N8 O16 P4 Re4 S4 -","4","1","","Frank Bock; Frank Fischer; Wolfdieter A. Schenk","Diastereoselective Proton Transfer: A Route to Enantiomerically Pure Half-Sandwich Rhenium Complexes","Journal of the American Chemical Society","2006","128","","68","69","10.1021/ja057089z","","","0.71073","MoKα","","0.0733","0.0353","","","0.0649","0.0714","","","","","","0.839","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110352","11.4122","0.0008","12.6671","0.0009","14.3522","0.001","85.843","0.001","69.178","0.001","74.095","0.001","1864.3","0.2","223","2","223","2","","","","","","","","8","P -1","-P 1","2","Pt-complex","Pt-complex","","- C30 H35 B F4 N4 O10 Pt2 S2 -","- C30 H35 B F4 N4 O10 Pt2 S2 -","- C60 H70 B2 F8 N8 O20 Pt4 S4 -","2","1","","Andrei N. Vedernikov; Seth A. Binfield; Peter Y. Zavalij; Julia R. Khusnutdinova","Stoichiometric Aerobic PtII-Me Bond Cleavage in Aqueous Solutions to Produce Methanol and a PtII(OH) Complex","Journal of the American Chemical Society","2006","128","","82","83","10.1021/ja0575171","","","0.71073","MoKα","","0.0273","0.0229","","","0.0544","0.057","","","","","","1","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110353","8.169","0.003","13.873","0.005","10.637","0.004","90","","94.767","0.007","90","","1201.3","0.8","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trans-Pt2-complex","trans-Pt2-complex","","- C22 H20 N4 O8 Pt2 S2 -","- C22 H20 N4 O8 Pt2 S2 -","- C44 H40 N8 O16 Pt4 S4 -","2","0.5","","Andrei N. Vedernikov; Seth A. Binfield; Peter Y. Zavalij; Julia R. Khusnutdinova","Stoichiometric Aerobic PtII-Me Bond Cleavage in Aqueous Solutions to Produce Methanol and a PtII(OH) Complex","Journal of the American Chemical Society","2006","128","","82","83","10.1021/ja0575171","","","0.71073","MoKα","","0.0357","0.0289","","","0.0649","0.0699","","","","","","1","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110354","10.116","0.005","11.457","0.005","27.94","0.02","85.3","0.05","80.73","0.05","79.2","0.04","3135","3","188","","188","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H71 N9 O18 P2 -","- C66 H69 N9 O18 P2 -","- C132 H138 N18 O36 P4 -","2","1","","Vladimír Král; Kamil Lang; Jarmila Králová; Michal Dvořák; Pavel Martásek; Aileen O. Chin; Andrei Andrievsky; Vincent Lynch; Jonathan L. Sessler","Polyhydroxylated Sapphyrins: Multisite Non-metallic Catalysts for Activated Phosphodiester Hydrolysis","Journal of the American Chemical Society","2006","128","","432","437","10.1021/ja0518474","","x-ray","0.71073","MoKα","","","0.108","","","","0.22","","","","","","1.54","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110355","15.9009","0.0011","11.4188","0.0008","16.5897","0.0011","90","","110.4","0.001","90","","2823.3","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 N4 P2 Pd -","- C24 H46 N4 P2 Pd -","- C96 H184 N16 P8 Pd4 -","4","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.0317","0.0278","","","0.0947","0.0982","","","","","","1.069","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110356","9.6134","0.0004","16.0484","0.0006","25.4098","0.001","90","","90","","90","","3920.2","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H57 F3 N4 O3 P2 Pd S -","- C30 H57 F3 N4 O3 P2 Pd S -","- C120 H228 F12 N16 O12 P8 Pd4 S4 -","4","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.0287","0.0259","","","0.0602","0.0613","","","","","","1.099","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110357","14.3428","0.001","10.4371","0.0007","26.6199","0.0019","90","","97.024","0.001","90","","3955","0.5","218","2","218","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H59 I N4 P2 Pd -","- C34 H59 I N4 P2 Pd -","- C136 H236 I4 N16 P8 Pd4 -","4","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.0598","0.0388","","","0.092","0.1004","","","","","","1.028","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110358","9.5657","0.0007","16.3449","0.0012","12.8255","0.001","90","","99.824","0.001","90","","1975.9","0.3","147","2","147","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Br N2 P Pd -","- C18 H28 Br N2 P Pd -","- C72 H112 Br4 N8 P4 Pd4 -","4","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.0349","0.0273","","","0.0686","0.0712","","","","","","1.079","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110359","9.9008","0.0005","16.7186","0.0009","12.915","0.0007","90","","102.849","0.001","90","","2084.26","0.19","147","2","147","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 I N2 P Pd -","- C18 H28 I N2 P Pd -","- C72 H112 I4 N8 P4 Pd4 -","4","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.0262","0.023","","","0.0575","0.0588","","","","","","1.022","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110360","10.3039","0.0007","20.2485","0.0013","12.1211","0.0008","90","","103.814","0.001","90","","2455.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 I N2 P Pd -","- C22 H36 I N2 P Pd -","- C88 H144 I4 N8 P4 Pd4 -","4","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.026","0.0232","","","0.0584","0.0595","","","","","","1.045","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110361","8.5573","0.0005","13.3881","0.0007","15.2267","0.0008","103.004","0.001","101.709","0.001","94.464","0.001","1650.35","0.16","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H49 F3 N4 O3 P2 Pd S -","- C26 H49 F3 N4 O3 P2 Pd S -","- C52 H98 F6 N8 O6 P4 Pd2 S2 -","2","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.0289","0.0262","","","0.065","0.0682","","","","","","1.055","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110362","9.9919","0.0006","17.517","0.001","11.0258","0.0006","90","","98.532","0.001","90","","1908.47","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H29 Cl2 N2 P Pd -","- C15 H29 Cl2 N2 P Pd -","- C60 H116 Cl8 N8 P4 Pd4 -","4","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.024","0.0211","","","0.0525","0.0536","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110363","10.7472","0.0006","11.4851","0.0006","14.9802","0.0008","79.388","0.001","83.399","0.001","62.825","0.001","1615.8","0.15","218","2","218","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H45 F3 N3 O3 P Pd S -","- C26 H45 F3 N3 O3 P Pd S -","- C52 H90 F6 N6 O6 P2 Pd2 S2 -","2","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.039","0.0338","","","0.0876","0.0904","","","","","","1.001","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110364","23.6456","0.0013","9.994","0.0005","26.493","0.0014","90","","96.829","0.001","90","","6216.3","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H66 B F20 N5 P2 Pd -","- C60 H66 B F20 N5 P2 Pd -","- C240 H264 B4 F80 N20 P8 Pd4 -","4","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.0622","0.0432","","","0.0878","0.0951","","","","","","1.027","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110365","13.2846","0.0009","13.6817","0.001","13.7439","0.0009","109.582","0.001","91.524","0.001","105.118","0.001","2254.2","0.3","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H66 F3 N5 O3 P Pd S -","- C36 H66 N5 P2 Pd -","- C72 H132 N10 P4 Pd2 -","2","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.0467","0.0402","","","0.1039","0.1074","","","","","","1.04","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110366","6.2984","0.0002","13.9118","0.0005","8.962","0.0003","90","","91.077","0.002","90","","785.13","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C34 H42 N2 O10 -","2","1","","Yongqiang Zhang; Lanny S. Liebeskind","Organometallic Enantiomeric Scaffolding: Organometallic Chirons. Total Synthesis of (-)-Bao Gong Teng A by a Molybdenum-Mediated [5+2] Cycloaddition","Journal of the American Chemical Society","2006","128","","465","472","10.1021/ja055623x","","","1.54178","CuKα","","0.0379","0.0351","","","0.0821","0.0831","","","","","","1.022","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110367","10.189","0.002","10.608","0.002","12.5","0.004","98.449","0.003","95.173","0.003","116.258","0.002","1180","0.5","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H34 N P -","- C28 H34 N P -","- C56 H68 N2 P2 -","2","1","","Yves Canac; Salvador Conejero; Michèle Soleilhavoup; Bruno Donnadieu; Guy Bertrand","Synthesis of Transient and Stable C-Amino Phosphorus Ylides and Their Fragmentation into Transient and Stable Carbenes","Journal of the American Chemical Society","2006","128","","459","464","10.1021/ja055863c","","","0.71073","MoKα","","0.073","0.0686","","","0.1893","0.1958","","","","","","1.037","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110368","10.9466","0.0006","9.0296","0.0005","29.4485","0.0017","90","","93.075","0.001","90","","2906.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 F3 N O3 P S -","- C29 H35 F3 N O3 P S -","- C116 H140 F12 N4 O12 P4 S4 -","4","1","","Yves Canac; Salvador Conejero; Michèle Soleilhavoup; Bruno Donnadieu; Guy Bertrand","Synthesis of Transient and Stable C-Amino Phosphorus Ylides and Their Fragmentation into Transient and Stable Carbenes","Journal of the American Chemical Society","2006","128","","459","464","10.1021/ja055863c","","","0.71073","MoKα","","0.078","0.0413","","","0.096","0.1058","","","","","","0.884","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110369","24.6668","0.0015","26.0509","0.0015","7.5084","0.0004","90","","90","","90","","4824.8","0.5","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","9-allyl adenine silver nirtate complex","","","- C9 H9 Ag N6 O3.5 -","- C9 H9 Ag N6 O3.5 -","- C144 H144 Ag16 N96 O56 -","16","1","","Chandra Shekhar Purohit; Sandeep Verma","A Luminescent Silver-Adenine Metallamacrocyclic Quartet","Journal of the American Chemical Society","2006","128","","400","401","10.1021/ja056452z","","","0.71073","MoKα","","0.0252","0.0251","","","0.0669","0.0671","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110370","8.025","0.004","23.927","0.011","15.071","0.007","90","","95.995","0.009","90","","2878","2","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N6 Zn -","- C30 H30 N6 Zn -","- C120 H120 N24 Zn4 -","4","1","","Sanjib Das; Amit Nag; Debabrata Goswami; Parimal K. Bharadwaj","Zinc(II)- and Copper(I)-Mediated Large Two-Photon Absorption Cross Sections in a Bis-cinnamaldiminato Schiff Base","Journal of the American Chemical Society","2006","128","","402","403","10.1021/ja056771q","","","0.71073","MoKα","","0.1018","0.0573","","","0.1259","0.1459","","","","","","0.983","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110371","12.237","0.0004","17.842","0.0008","15.579","0.0007","90","","106.461","0.003","90","","3262","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","silaborene","","- C27 H60 B N Si3 -","- C27 H60 B N Si3 -","- C108 H240 B4 N4 Si12 -","4","1","","Norio Nakata; Akira Sekiguchi","A Stable Silaborene: Synthesis and Characterization","Journal of the American Chemical Society","2006","128","","422","423","10.1021/ja0570741","","","0.7107","MoKα","","0.0596","0.0494","","","0.1393","0.1464","","","","","","1.061","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110372","12.237","0.0006","28.065","0.0013","17.929","0.0005","90","","95.189","0.003","90","","6132.1","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","borylsilyl anion","","- C51 H107 B Li N O6 Si4 -","- C51 H107 B Li N O6 Si4 -","- C204 H428 B4 Li4 N4 O24 Si16 -","4","1","","Norio Nakata; Akira Sekiguchi","A Stable Silaborene: Synthesis and Characterization","Journal of the American Chemical Society","2006","128","","422","423","10.1021/ja0570741","","","0.7107","MoKα","","0.0996","0.0678","","","0.1823","0.2046","","","","","","1.057","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110373","11.772","0.003","11.772","0.003","9.062","0.002","90","","90","","90","","1255.8","0.5","293","2","293","2","","","","","","","","4","I -4","I -4","82","","","","- C3 H3 O5 Tc -","- C3 H3 O5 Tc -","- C24 H24 O40 Tc8 -","8","1","","Maaz Zuhayra; Willm Uwe Kampen; Eberhard Henze; Zsolt Soti; Laslo Zsolnai; Gottfried Huttner; Franz Oberdorfer","A Planar Water Tetramer with Tetrahedrally Coordinated Water Embedded in a Hydrogen Bonding Network of [Tc4(CO)12-(μ3-OH)4.4H2O]","Journal of the American Chemical Society","2006","128","","424","425","10.1021/ja057142j","","","0.71073","MoKα","","0.0247","0.0244","","0.0601","0.0599","","","","1.082","1.092","1.092","","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110374","35.326","0.003","9.2322","0.0008","24.865","0.002","90","","120.737","0.001","90","","6970.2","1","135","2","135","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H61 Os P Si -","- C34 H61 Os P Si -","- C272 H488 Os8 P8 Si8 -","8","1","","Paul G. Hayes; Chad Beddie; Michael B. Hall; Rory Waterman; T. Don Tilley","Hydrogen-Substituted Osmium Silylene Complexes: Effect of Charge Localization on Catalytic Hydrosilation","Journal of the American Chemical Society","2006","128","","428","429","10.1021/ja057494q","","","0.71073","MoKα","","0.0586","0.0314","","","0.06","0.0643","","","","","","0.88","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110375","11.2237","0.0008","13.1785","0.001","13.4073","0.0011","98.694","0.001","104.004","0.001","99.281","0.002","1861.1","0.2","243","2","243","2","","","","","","","","2","P -1","-P 1","2","","","","- C28 H18 -","- C28 H18 -","- C112 H72 -","4","2","","Qian Miao; Xiaoliu Chi; Shengxiong Xiao; Roswitha Zeis; Michael Lefenfeld; Theo Siegrist; Michael L. Steigerwald; Colin Nuckolls","Organization of Acenes with a Cruciform Assembly Motif","Journal of the American Chemical Society","2006","128","","1340","1345","10.1021/ja0570786","","","0.71073","MoKα","","0.0713","0.0487","","","0.1312","0.1532","","","","","","1.036","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110376","8.7131","0.0015","10.2665","0.0017","24.621","0.004","90","","90","","90","","2202.4","0.6","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 N2 O3 S -","- C23 H30 N2 O3 S -","- C92 H120 N8 O12 S4 -","4","1","","Marco Bandini; Alfonso Melloni; Fabio Piccinelli; Riccardo Sinisi; Simona Tommasi; Achille Umani-Ronchi","Highly Enantioselective Synthesis of Tetrahydro-β-Carbolines and Tetrahydro-γ-Carbolines Via Pd-Catalyzed Intramolecular Allylic Alkylation","Journal of the American Chemical Society","2006","128","","1424","1425","10.1021/ja054109o","","","0.71073","MoKα","","0.0659","0.0413","","","0.1051","0.1144","","","","","","0.98","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110377","6.4848","0.0002","9.6226","0.0004","9.6765","0.0004","110.171","0.002","97.365","0.002","90.975","0.002","560.89","0.04","293","","293","","","","","","","","?","5","P -1","-P 1","2","","","","- C11 H13 Cl O2 Os -","- C11 H13 Cl O2 Os -","- C22 H26 Cl2 O4 Os2 -","2","1","","Anna F. A. Peacock; Abraha Habtemariam; Rafael Fernández; Victoria Walland; Francesca P. A. Fabbiani; Simon Parsons; Rhona E. Aird; Duncan I. Jodrell; Peter J. Sadler","Tuning the Reactivity of Osmium(II) and Ruthenium(II) Arene Complexes under Physiological Conditions","Journal of the American Chemical Society","2006","128","","1739","1748","10.1021/ja055886r","","","0.71073","MoKα","","0.0237","0.0233","","0.0604","0.0601","0.0604","","","","","","1.0641","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110378","9.4688","0.0005","10.0201","0.0006","16.5231","0.0008","95.496","0.004","89.941","0.003","92.784","0.004","1558.63","0.15","150","2","150","2","","","","","","","Anna Peacock, reaction AFAP29","5","P -1","-P 1","2","","","","- C15 H21 Cl O2 Os -","- C15 H21 Cl O2 Os -","- C60 H84 Cl4 O8 Os4 -","4","2","","Anna F. A. Peacock; Abraha Habtemariam; Rafael Fernández; Victoria Walland; Francesca P. A. Fabbiani; Simon Parsons; Rhona E. Aird; Duncan I. Jodrell; Peter J. Sadler","Tuning the Reactivity of Osmium(II) and Ruthenium(II) Arene Complexes under Physiological Conditions","Journal of the American Chemical Society","2006","128","","1739","1748","10.1021/ja055886r","","","0.71073","MoKα","","0.0418","0.0318","","","0.0804","0.0822","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110379","8.9165","0.0007","17.4347","0.0014","19.9254","0.0016","90","","93.683","0.001","90","","3091.1","0.4","150","","150","","","","","","","","V.Walland, reaction number vw07","6","C 1 c 1","C -2yc","9","","","","- C38 H38 B Cl N2 Os -","- C38 H38 B Cl N2 Os -","- C152 H152 B4 Cl4 N8 Os4 -","4","1","","Anna F. A. Peacock; Abraha Habtemariam; Rafael Fernández; Victoria Walland; Francesca P. A. Fabbiani; Simon Parsons; Rhona E. Aird; Duncan I. Jodrell; Peter J. Sadler","Tuning the Reactivity of Osmium(II) and Ruthenium(II) Arene Complexes under Physiological Conditions","Journal of the American Chemical Society","2006","128","","1739","1748","10.1021/ja055886r","","","0.71073","MoKα","","0.0244","0.0221","","0.0573","0.0559","0.0573","","","","","","0.9126","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110380","8.8984","0.0003","17.4254","0.0006","19.9718","0.0005","90","","93.609","0.002","90","","3090.65","0.17","150","","150","","","","","","","","?","6","C 1 c 1","C -2yc","9","","","","- C76 H76 B2 Cl2 N4 Ru2 -","- C76 H76 B2 Cl2 N4 Ru2 -","- C152 H152 B4 Cl4 N8 Ru4 -","2","0.5","","Anna F. A. Peacock; Abraha Habtemariam; Rafael Fernández; Victoria Walland; Francesca P. A. Fabbiani; Simon Parsons; Rhona E. Aird; Duncan I. Jodrell; Peter J. Sadler","Tuning the Reactivity of Osmium(II) and Ruthenium(II) Arene Complexes under Physiological Conditions","Journal of the American Chemical Society","2006","128","","1739","1748","10.1021/ja055886r","","","0.71073","MoKα","","0.0419","0.0384","","0.0912","0.0899","0.0912","","","","","","0.9846","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110381","8.8029","0.0003","9.6356","0.0003","21.908","0.0007","90","","90","","90","","1858.26","0.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17.25 H18 Cl O2.25 Os -","- C17.25 H18 Cl O2.25 Os -","- C69 H72 Cl4 O9 Os4 -","4","1","","Anna F. A. Peacock; Abraha Habtemariam; Rafael Fernández; Victoria Walland; Francesca P. A. Fabbiani; Simon Parsons; Rhona E. Aird; Duncan I. Jodrell; Peter J. Sadler","Tuning the Reactivity of Osmium(II) and Ruthenium(II) Arene Complexes under Physiological Conditions","Journal of the American Chemical Society","2006","128","","1739","1748","10.1021/ja055886r","","","0.71073","MoKα","","0.0916","0.0703","","","0.1656","0.1786","","","","","","1.156","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110382","11.0097","0.0011","16.4849","0.0016","18.5435","0.0018","100.151","0.001","104.682","0.001","103.956","0.001","3056.9","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C110 H40 La2 N -","- C110 H40 La1.9816 N -","- C220 H80 La3.9632 N2 -","2","1","","Michio Yamada; Takatsugu Wakahara; Tsukasa Nakahodo; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Naomi Mizorogi; Shigeru Nagase","Synthesis and Structural Characterization of Endohedral Pyrrolidinodimetallofullerene: La2@C80(CH2)2NTrt","Journal of the American Chemical Society","2006","128","","1402","1403","10.1021/ja056560l","","","0.71073","MoKα","","0.0963","0.0768","","","0.2046","0.2216","","","","","","1.09","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110383","8.368","0.004","25.41","0.01","15.691","0.007","90","","92.09","0.04","90","","3334","3","90","1","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H22 Cu Dy2 F36 N6 O14 -","- C52 H22 Cu Dy2 F36 N6 O14 -","- C104 H44 Cu2 Dy4 F72 N12 O28 -","2","0.5","","Fumihito Mori; Tetsuya Nyui; Takayuki Ishida; Takashi Nogami; Kwang-Yong Choi; Hiroyuki Nojiri","Oximate-Bridged Trinuclear Dy-Cu-Dy Complex Behaving as a Single-Molecule Magnet and Its Mechanistic Investigation","Journal of the American Chemical Society","2006","128","","1440","1441","10.1021/ja057183f","","","0.7107","MoKa","","","0.062","","","","0.061","","","","","","0.835","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110384","20.502","0.004","17.404","0.004","12.656","0.003","90","","90","","90","","4515.9","1.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[Et4N]3[Fe(II)(CN)5py] 6H2O","tris-tetraethylammonium Iron(II)pentacyanidepyridine","","- C34 H77 Fe N9 O6 -","- C34 H56 Fe N9 O6 -","- C136 H224 Fe4 N36 O24 -","4","0.5","","Gina M. Chiarella; Doris Y. Melgarejo; Stephen A. Koch","Further Study of the Reaction of Fe2+ with CN-: Synthesis and Characterization of cis and trans[FeII,III(CN)4L2]n- Complexes","Journal of the American Chemical Society","2006","128","","1416","1417","10.1021/ja0571951","","x-ray","0.71073","MoKα","","0.1276","0.0696","","","0.2","0.2379","","","","","","0.938","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110385","20.798","0.002","15.8938","0.0016","15.6801","0.0016","90","","92.832","0.002","90","","5176.9","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[(n-Bu)4N]2 [Fe(III)(CN)5py] C5H5N","bis-tetra-n-butylammonium Iron(III)pentacyanidepyridine pyridine","","- C47 H82 Fe N9 -","- C47 H82 Fe N9 -","- C188 H328 Fe4 N36 -","4","1","","Gina M. Chiarella; Doris Y. Melgarejo; Stephen A. Koch","Further Study of the Reaction of Fe2+ with CN-: Synthesis and Characterization of cis and trans[FeII,III(CN)4L2]n- Complexes","Journal of the American Chemical Society","2006","128","","1416","1417","10.1021/ja0571951","","x-ray","0.71073","MoKα","","0.1704","0.0579","","","0.1515","0.199","","","","","","0.828","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110386","6.8796","0.0005","8.4908","0.0006","13.4947","0.001","90","","96.937","0.001","90","","782.5","0.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Na2[Fe(II)(CN)4(dmso)2 2H2O","disodium iron(II)tetracyanobisdimethylsulfoxide bis water","","- C8 H16 Fe N4 Na2 O4 S2 -","- C8 H16 Fe N4 Na2 O4 S2 -","- C16 H32 Fe2 N8 Na4 O8 S4 -","2","0.5","","Gina M. Chiarella; Doris Y. Melgarejo; Stephen A. Koch","Further Study of the Reaction of Fe2+ with CN-: Synthesis and Characterization of cis and trans[FeII,III(CN)4L2]n- Complexes","Journal of the American Chemical Society","2006","128","","1416","1417","10.1021/ja0571951","","x-ray","0.71073","MoKα","","0.0265","0.0243","","","0.0651","0.0664","","","","","","1.053","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110387","16.4424","0.0018","11.3252","0.0013","18.481","0.002","90","","106.168","0.002","90","","3305.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Et4N]2[Fe(II)(CN)4py2] H2O","bistetraethylammonium cis-iron(II)tetracyanidedbispyridine","","- C30 H52 Fe N8 O -","- C30 H51 Fe N8 O -","- C120 H204 Fe4 N32 O4 -","4","1","","Gina M. Chiarella; Doris Y. Melgarejo; Stephen A. Koch","Further Study of the Reaction of Fe2+ with CN-: Synthesis and Characterization of cis and trans[FeII,III(CN)4L2]n- Complexes","Journal of the American Chemical Society","2006","128","","1416","1417","10.1021/ja0571951","","x-ray","0.71073","MoKα","","0.1363","0.047","","","0.0916","0.1117","","","","","","0.816","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110388","12.2349","0.0016","12.6485","0.0017","15.753","0.002","90","","91.957","0.002","90","","2436.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Et4N][Fe(III)(CN)4(pyridine)2]","tetraethylammonium cis-iron(III)tetracyanidebispyridine","","- C22 H30 Fe N7 -","- C22 H30 Fe N7 -","- C88 H120 Fe4 N28 -","4","1","","Gina M. Chiarella; Doris Y. Melgarejo; Stephen A. Koch","Further Study of the Reaction of Fe2+ with CN-: Synthesis and Characterization of cis and trans[FeII,III(CN)4L2]n- Complexes","Journal of the American Chemical Society","2006","128","","1416","1417","10.1021/ja0571951","","x-ray","0.71073","MoKα","","0.123","0.0581","","","0.1331","0.1583","","","","","","0.949","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110389","22.631","0.004","21.874","0.004","19.345","0.003","90","","90","","90","","9576","3","293","2","293","2","","","","","","","From reaction of cis-[Fe(II)(CN)4(py)2]2- with CO","5","C m c a","-C 2ac 2","64","trans-[(n-Bu)4N]2[Fe(II)(CN)4(CO)py]","bis-tetrabutylammonium trans-iron(II)tetracyanidecarbonylpyradine","","- C42 H77 Fe N7 O -","- C42 H77 Fe N7 O -","- C336 H616 Fe8 N56 O8 -","8","","","Gina M. Chiarella; Doris Y. Melgarejo; Stephen A. Koch","Further Study of the Reaction of Fe2+ with CN-: Synthesis and Characterization of cis and trans[FeII,III(CN)4L2]n- Complexes","Journal of the American Chemical Society","2006","128","","1416","1417","10.1021/ja0571951","","x-ray","0.71073","MoKα","","0.1442","0.0589","","","0.1551","0.1863","","","","","","0.887","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110390","13.294","0.003","16.663","0.004","9.006","0.002","97.787","0.007","111.12","0.01","68.101","0.009","1726.7","0.7","11.5","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 F6 P S16 -","- C24 H24 F6 P S16 -","- C48 H48 F12 P2 S32 -","2","1","","Shinya Kimura; Hideaki Suzuki; Tomoko Maejima; Hatsumi Mori; Jun-Ichi Yamaura; Toru Kakiuchi; Hiroshi Sawa; Hiroshi Moriyama","Checkerboard-Type Charge-Ordered State of a Pressure-Induced Superconductor, β-(meso-DMBEDT-TTF)2PF6","Journal of the American Chemical Society","2006","128","","1456","1457","10.1021/ja057307o","","","0.9989","SrKα","","","0.088","","","","0.099","","","","","","2.891","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110391","12.2527","0.0003","12.2527","0.0003","14.5191","0.0007","90","","90","","120","","1887.7","0.11","123","2","123","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C12 H21 Y -","- C12 H21 Y -","- C72 H126 Y6 -","6","0.5","","H. Martin Dietrich; Hilde Grove; Karl W. Törnroos; Reiner Anwander","Multiple C-H Bond Activation in Group 3 Chemistry: Synthesis and Structural Characterization of an Yttrium-Aluminum-Methine Cluster","Journal of the American Chemical Society","2006","128","","1458","1459","10.1021/ja057618z","","","0.71073","MoKα","","0.0484","0.0395","","","0.1003","0.1087","","","","","","1.061","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110392","10.953","0.0004","15.6798","0.0006","21.1344","0.0008","110.443","0.001","91.225","0.001","109.788","0.001","3159.8","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H52 Al2 Y2 -","- C28 H52 Al2 Y2 -","- C112 H208 Al8 Y8 -","4","2","","H. Martin Dietrich; Hilde Grove; Karl W. Törnroos; Reiner Anwander","Multiple C-H Bond Activation in Group 3 Chemistry: Synthesis and Structural Characterization of an Yttrium-Aluminum-Methine Cluster","Journal of the American Chemical Society","2006","128","","1458","1459","10.1021/ja057618z","","","0.71073","MoKα","","0.0443","0.0344","","","0.0907","0.0939","","","","","","1.119","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110393","10.625","0.002","11.705","0.002","12.203","0.002","80.13","0.03","68.04","0.03","84.11","0.03","1385.5","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cl7 D2 N O4 -","- C22 H28 Cl7 N O4 -","- C44 H56 Cl14 N2 O8 -","2","1","","Sarah E. Reisman; Joseph M. Ready; Atsushi Hasuoka; Catherine J. Smith; John L. Wood","Total Synthesis of (\±)-Welwitindolinone A Isonitrile","Journal of the American Chemical Society","2006","128","","1448","1449","10.1021/ja057640s","","","0.71073","MoKα","","0.0712","0.0467","","","0.1356","0.1517","","","","","","1.002","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110394","19.495","0.004","6.6031","0.0013","13.671","0.003","90","","100.01","0.03","90","","1733","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl N O2 -","- C20 H22 Cl N O2 -","- C80 H88 Cl4 N4 O8 -","4","1","","Sarah E. Reisman; Joseph M. Ready; Atsushi Hasuoka; Catherine J. Smith; John L. Wood","Total Synthesis of (\±)-Welwitindolinone A Isonitrile","Journal of the American Chemical Society","2006","128","","1448","1449","10.1021/ja057640s","","","0.71073","MoKα","","0.159","0.0773","","","0.1809","0.2199","","","","","","1.103","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110395","12.0382","0.0009","14.4404","0.0011","15.276","0.0012","90","","109.749","0.002","90","","2499.3","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","E-4,4'-Bis[4-bis(4-methoxyphenyl)amino]stilbene bis(hexachloroantimonate)","","- C42 H38 Cl12 N2 O4 Sb2 -","- C42 H38 Cl12 N2 O4 Sb2 -","- C84 H76 Cl24 N4 O8 Sb4 -","2","0.5","","Shijun Zheng; Stephen Barlow; Chad Risko; Tiffany L. Kinnibrugh; Viktor N. Khrustalev; Simon C. Jones; Mikhail Yu. Antipin; Neil M. Tucker; Tatiana V. Timofeeva; Veaceslav Coropceanu; Jean-Luc Brédas; Seth R. Marder","Isolation and Crystal Structures of Two Singlet Bis(Triarylamine) Dications with Nonquinoidal Geometries","Journal of the American Chemical Society","2006","128","","1812","1817","10.1021/ja0541534","","","0.71073","MoKα","","0.05","0.0414","","","0.0975","0.1034","","","","","","1.007","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110396","11.6716","0.0009","14.9373","0.0011","15.589","0.0011","64.936","0.002","83.166","0.002","76.083","0.002","2389.2","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","E,E-2,5-Bis(4-[bis(4-methoxyphenyl)amino]styryl)-3,4-di(n-butoxy)thiophene","","- C56 H58 N2 O6 S -","- C56 H58 N2 O6 S -","- C112 H116 N4 O12 S2 -","2","1","","Shijun Zheng; Stephen Barlow; Chad Risko; Tiffany L. Kinnibrugh; Viktor N. Khrustalev; Simon C. Jones; Mikhail Yu. Antipin; Neil M. Tucker; Tatiana V. Timofeeva; Veaceslav Coropceanu; Jean-Luc Brédas; Seth R. Marder","Isolation and Crystal Structures of Two Singlet Bis(Triarylamine) Dications with Nonquinoidal Geometries","Journal of the American Chemical Society","2006","128","","1812","1817","10.1021/ja0541534","","","0.71073","MoKα","","0.1068","0.0513","","","0.0821","0.0938","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110397","13.0866","0.0017","14.366","0.0019","30.542","0.004","90","","90","","90","","5742","1.3","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","E,E-2,5-Bis(4-[bis(4-methoxyphenyl)amino]styryl) -3,4-di(n-butoxy)thiophene bis(hexafluoroantimonate)","","- C56 H58 F12 N2 O6 S Sb2 -","- C56 H58 F12 N2 O6 S Sb2 -","- C224 H232 F48 N8 O24 S4 Sb8 -","4","1","","Shijun Zheng; Stephen Barlow; Chad Risko; Tiffany L. Kinnibrugh; Viktor N. Khrustalev; Simon C. Jones; Mikhail Yu. Antipin; Neil M. Tucker; Tatiana V. Timofeeva; Veaceslav Coropceanu; Jean-Luc Brédas; Seth R. Marder","Isolation and Crystal Structures of Two Singlet Bis(Triarylamine) Dications with Nonquinoidal Geometries","Journal of the American Chemical Society","2006","128","","1812","1817","10.1021/ja0541534","","","0.71073","MoKα","","0.1002","0.0575","","","0.1102","0.1187","","","","","","1.035","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110398","15.857","0.002","10.0744","0.0013","19.014","0.002","90","","101.957","0.003","90","","2971.6","0.6","198","2","198","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C15 H28 B11 Br6 O -","- C15 H28 B11 Br6 O -","- C60 H112 B44 Br24 O4 -","4","0.5","","Evgenii S. Stoyanov; Kee-Chan Kim; Christopher A. Reed","The Nature of the H3O+ Hydronium Ion in Benzene and Chlorinated Hydrocarbon Solvents. Conditions of Existence and Reinterpretation of Infrared Data","Journal of the American Chemical Society","2006","128","","1948","1958","10.1021/ja0551335","","","0.71073","MoKα","","0.0508","0.0343","","","0.0843","0.0919","","","","","","1.038","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110399","12.7952","0.0004","17.7441","0.0005","18.5205","0.0006","90","","90","","90","","4204.9","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H58 Cl N2 Rh -","- C47 H58 Cl N2 Rh -","- C188 H232 Cl4 N8 Rh4 -","4","1","","Timothy W. Funk; Jacob M. Berlin; Robert H. Grubbs","Highly Active Chiral Ruthenium Catalysts for Asymmetric Ring-Closing Olefin Metathesis","Journal of the American Chemical Society","2006","128","","1840","1846","10.1021/ja055994d","","","0.71073","MoKα","","0.0814","0.0383","","","0.0541","0.0593","","","","","","0.991","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4110400","11.874","0.002","15.938","0.003","21.337","0.004","90","","93.14","0.03","90","","4031.9","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H43 Cl O P2 Pd -","- C48 H43 Cl O P2 Pd -","- C192 H172 Cl4 O4 P8 Pd4 -","4","1","","Adam M. Johns; Masaru Utsunomiya; Christopher D. Incarvito; John F. Hartwig","A Highly Active Palladium Catalyst for Intermolecular Hydroamination. Factors that Control Reactivity and Additions of Functionalized Anilines to Dienes and Vinylarenes","Journal of the American Chemical Society","2006","128","","1828","1839","10.1021/ja056003z","","","0.71073","MoKα","","0.1294","0.0543","","","0.0941","0.112","","","","","","0.996","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110401","18.235","0.004","18.04","0.004","25.472","0.005","90","","99.73","0.03","90","","8259","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H39 F3 O4 P2 Pd S -","- C47 H39 F3 O4 P2 Pd S -","- C376 H312 F24 O32 P16 Pd8 S8 -","8","2","","Adam M. Johns; Masaru Utsunomiya; Christopher D. Incarvito; John F. Hartwig","A Highly Active Palladium Catalyst for Intermolecular Hydroamination. Factors that Control Reactivity and Additions of Functionalized Anilines to Dienes and Vinylarenes","Journal of the American Chemical Society","2006","128","","1828","1839","10.1021/ja056003z","","","0.71073","MoKα","","0.1137","0.0644","","","0.1668","0.1889","","","","","","1.069","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110402","11.451","0.002","14.314","0.003","14.412","0.003","83.76","0.03","67.63","0.03","70.75","0.03","2062","0.9","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H37 Cl2 F3 O4 P2 Pd S -","- C45 H37 Cl2 F3 O4 P2 Pd S -","- C90 H74 Cl4 F6 O8 P4 Pd2 S2 -","2","1","","Adam M. Johns; Masaru Utsunomiya; Christopher D. Incarvito; John F. Hartwig","A Highly Active Palladium Catalyst for Intermolecular Hydroamination. Factors that Control Reactivity and Additions of Functionalized Anilines to Dienes and Vinylarenes","Journal of the American Chemical Society","2006","128","","1828","1839","10.1021/ja056003z","","","0.71073","MoKα","","0.1087","0.051","","","0.0843","0.0976","","","","","","1.002","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110403","9.5147","0.0019","22.092","0.004","19.067","0.004","90","","96.19","0.03","90","","3984.5","1.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H39 Cl7 Fe P2 Pd -","- C38 H35 Cl3 Fe P2 Pd -","- C152 H140 Cl12 Fe4 P8 Pd4 -","4","1","","Adam M. Johns; Masaru Utsunomiya; Christopher D. Incarvito; John F. Hartwig","A Highly Active Palladium Catalyst for Intermolecular Hydroamination. Factors that Control Reactivity and Additions of Functionalized Anilines to Dienes and Vinylarenes","Journal of the American Chemical Society","2006","128","","1828","1839","10.1021/ja056003z","","","0.71073","MoKα","","0.0745","0.0448","","","0.1077","0.1143","","","","","","1.009","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110404","17.295","0.004","10.086","0.002","21.398","0.004","90","","94.23","0.03","90","","3722.4","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H39 Br O P2 Pd -","- C46 H39 Br O P2 Pd -","- C184 H156 Br4 O4 P8 Pd4 -","4","1","","Adam M. Johns; Masaru Utsunomiya; Christopher D. Incarvito; John F. Hartwig","A Highly Active Palladium Catalyst for Intermolecular Hydroamination. Factors that Control Reactivity and Additions of Functionalized Anilines to Dienes and Vinylarenes","Journal of the American Chemical Society","2006","128","","1828","1839","10.1021/ja056003z","","","0.71073","MoKα","","0.1239","0.0525","","","0.0789","0.095","","","","","","1.001","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110405","10.981","0.002","13.175","0.003","16.691","0.003","77.86","0.03","71.19","0.03","85.61","0.03","2234.6","0.9","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C42.5 H39 Cl9 O P2 Pd -","- C42 H36 Cl8 O P2 Pd -","- C84 H72 Cl16 O2 P4 Pd2 -","2","1","","Adam M. Johns; Masaru Utsunomiya; Christopher D. Incarvito; John F. Hartwig","A Highly Active Palladium Catalyst for Intermolecular Hydroamination. Factors that Control Reactivity and Additions of Functionalized Anilines to Dienes and Vinylarenes","Journal of the American Chemical Society","2006","128","","1828","1839","10.1021/ja056003z","","","0.71073","MoKα","","0.0866","0.0644","","","0.1796","0.1907","","","","","","1.276","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110406","10.426","0.002","20.056","0.004","21.214","0.004","63.91","0.03","81.69","0.03","77.45","0.03","3882.7","1.7","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C42.5 H36 Cl F3 Fe O3 P2 Pd S -","- C42.5 H36 Cl F3 Fe O3 P2 Pd S -","- C170 H144 Cl4 F12 Fe4 O12 P8 Pd4 S4 -","4","2","","Adam M. Johns; Masaru Utsunomiya; Christopher D. Incarvito; John F. Hartwig","A Highly Active Palladium Catalyst for Intermolecular Hydroamination. Factors that Control Reactivity and Additions of Functionalized Anilines to Dienes and Vinylarenes","Journal of the American Chemical Society","2006","128","","1828","1839","10.1021/ja056003z","","","0.71073","MoKα","","0.1224","0.0501","","","0.0762","0.0897","","","","","","0.978","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110407","16.3665","0.0013","8.7668","0.0007","13.0351","0.0009","90","","103.655","0.005","90","","1817.4","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Swadhin K. Mandal; Satyabrata Samanta; Mikhail E. Itkis; Dell W. Jensen; Robert W. Reed; Richard T. Oakley; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Resonating Valence Bond Ground State in Oxygen-Functionalized Phenalenyl-Based Neutral Radical Molecular Conductors","Journal of the American Chemical Society","2006","128","","1982","1994","10.1021/ja0560276","","","0.71073","MoKα","","0.118","0.0494","","","0.1289","0.1575","","","","","","1.002","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110408","7.3847","0.0003","10.7758","0.0005","12.6337","0.0006","95.965","0.001","99.323","0.001","99.694","0.001","968.96","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 B O4 -","- C28 H18 B O4 -","- C56 H36 B2 O8 -","2","1","","Swadhin K. Mandal; Satyabrata Samanta; Mikhail E. Itkis; Dell W. Jensen; Robert W. Reed; Richard T. Oakley; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Resonating Valence Bond Ground State in Oxygen-Functionalized Phenalenyl-Based Neutral Radical Molecular Conductors","Journal of the American Chemical Society","2006","128","","1982","1994","10.1021/ja0560276","","","0.71073","MoKα","","0.0747","0.0451","","","0.1159","0.1298","","","","","","1.025","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110409","12.8501","0.0007","16.746","0.0009","25.0841","0.0013","77.283","0.001","88.561","0.001","85.433","0.001","5248.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C107 H101 B2 F35 N4 O2 Pt2 -","- C107 H101 B2 F35 N4 O2 Pt2 -","- C214 H202 B4 F70 N8 O4 Pt4 -","2","1","","Jonathan S. Owen; Jay A. Labinger; John E. Bercaw","Kinetics and Mechanism of Methane, Methanol, and Dimethyl Ether C-H Activation with Electrophilic Platinum Complexes","Journal of the American Chemical Society","2006","128","","2005","2016","10.1021/ja056387t","","","0.71073","MoKα","","0.0892","0.0531","","","0.0971","0.1038","","","","","","1.293","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4110410","12.3114","0.0003","15.4916","0.0004","16.6024","0.0004","63.632","0.001","73.354","0.001","88.665","0.001","2698.14","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C107 H106 B2 F36 N4 O3 Pt2 -","- C107 H106 B2 F36 N4 O3 Pt2 -","- C107 H106 B2 F36 N4 O3 Pt2 -","1","0.5","","Jonathan S. Owen; Jay A. Labinger; John E. Bercaw","Kinetics and Mechanism of Methane, Methanol, and Dimethyl Ether C-H Activation with Electrophilic Platinum Complexes","Journal of the American Chemical Society","2006","128","","2005","2016","10.1021/ja056387t","","","0.71073","MoKα","","0.1021","0.0592","","","0.1068","0.1148","","","","","","1.748","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4110411","14.231","0.001","12.26","0.001","24.167","0.002","90","","104.181","0.004","90","","4088","0.6","123.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 Cl4 N6 O Zn2 -","- C41 H43 Cl4 N6 O Zn2 -","- C164 H172 Cl16 N24 O4 Zn8 -","4","1","","Akio Ojida; Masa-aki Inoue; Yasuko Mito-oka; Hiroshi Tsutsumi; Kazuki Sada; Itaru Hamachi","Effective Disruption of Phosphoprotein-Protein Surface Interaction Using Zn(II) Dipicolylamine-Based Artificial Receptors via Two-Point Interaction","Journal of the American Chemical Society","2006","128","","2052","2058","10.1021/ja056585k","","","1.5418","CuKα","","","0.0924","","","","0.2667","","","","","","1.73","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110412","13.5767","0.0005","7.8292","0.0003","18.9222","0.0006","90","","110.744","0.002","90","","1880.94","0.12","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 B N6 O Pt -","- C16 H23 B N6 O Pt -","- C64 H92 B4 N24 O4 Pt4 -","4","1","","Nathan M. West; Stefan Reinartz; Peter S. White; Joseph L. Templeton","Carbon Monoxide Promoted Reductive Elimination of Hydrogen from Tp' Platinum Complexes","Journal of the American Chemical Society","2006","128","","2059","2066","10.1021/ja056766m","","","0.71073","MoKα","","0.0653","0.0598","","0.17","0.1687","0.17","","","","","","1.0921","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110413","7.6504","0.0009","13.3702","0.0018","11.4418","0.0019","90","","98.291","0.012","90","","1158.1","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H34 Cl N O6 S -","- C20 H34 Cl N O6 S -","- C40 H68 Cl2 N2 O12 S2 -","2","1","","Varinder K. Aggarwal; Jonathan P. H. Charmant; Daniel Fuentes; Jeremy N. Harvey; George Hynd; Diasuke Ohara; Willy Picoul; Raphaël Robiette; Catherine Smith; Jean-Luc Vasse; Caroline L. Winn","Highly Enantioselective Synthesis of Glycidic Amides Using Camphor-Derived Sulfonium Salts. Mechanism and Applications in Synthesis","Journal of the American Chemical Society","2006","128","","2105","2114","10.1021/ja0568345","","","0.71073","MoKα","","0.0446","0.0348","","","0.081","0.0856","","","","","","1.041","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110414","10.163","0.0011","11.123","0.0012","14.6824","0.0016","77.808","0.003","77.742","0.003","66.448","0.003","1471.9","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H52 Co N P2 Si2 -","- C22 H52 Co N P2 Si2 -","- C44 H104 Co2 N2 P4 Si4 -","2","1","","Michael Ingleson; Hongjun Fan; Maren Pink; John Tomaszewski; Kenneth G. Caulton","Three-Coordinate Co(I) Provides Access to Unsaturated Dihydrido-Co(III) and Seven-Coordinate Co(V)","Journal of the American Chemical Society","2006","128","","1804","1805","10.1021/ja0572452","","","0.71073","MoKα","","0.0463","0.0335","","","0.0768","0.0851","","","","","","1.044","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110415","18.9727","0.0007","11.871","0.0004","18.5326","0.0006","90","","93.429","0.001","90","","4166.5","0.2","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H70 Co N P2 Si5 -","- C34 H70 Co N P2 Si5 -","- C136 H280 Co4 N4 P8 Si20 -","4","1","","Michael Ingleson; Hongjun Fan; Maren Pink; John Tomaszewski; Kenneth G. Caulton","Three-Coordinate Co(I) Provides Access to Unsaturated Dihydrido-Co(III) and Seven-Coordinate Co(V)","Journal of the American Chemical Society","2006","128","","1804","1805","10.1021/ja0572452","","","0.71073","MoKα","","0.0624","0.0413","","","0.1","0.1132","","","","","","1.018","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110416","11.6003","0.0014","18.254","0.002","17.654","0.002","90","","91.647","0.001","90","","3736.7","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H62 F2 Ni2 P4 -","- C30 H62 F2 Ni2 P4 -","- C120 H248 F8 Ni8 P16 -","4","1","","Alana L. Keen; Samuel A. Johnson","Nickel(0)-Catalyzed Isomerization of an Aryne Complex: Formation of a Dinuclear Ni(I) Complex via C-H Rather than C-F Bond Activation","Journal of the American Chemical Society","2006","128","","1806","1807","10.1021/ja0572553","","","0.71073","MoKα","","0.0523","0.0417","","","0.0937","0.0996","","","","","","1.105","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110417","10.9544","0.0013","18.671","0.002","19.607","0.002","90","","93.341","0.001","90","","4003.4","0.8","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H64 F4 Ni2 P4 -","- C36 H64 F4 Ni2 P4 -","- C144 H256 F16 Ni8 P16 -","4","1","","Alana L. Keen; Samuel A. Johnson","Nickel(0)-Catalyzed Isomerization of an Aryne Complex: Formation of a Dinuclear Ni(I) Complex via C-H Rather than C-F Bond Activation","Journal of the American Chemical Society","2006","128","","1806","1807","10.1021/ja0572553","","","0.71073","MoKα","","0.055","0.0485","","","0.1075","0.1105","","","","","","1.197","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110418","20.058","0.004","16.095","0.003","16.266","0.003","90","","90","","90","","5251.2","1.7","173","2","173","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C21 H19 Co F9 N4 O2 P1.5 -","- C21 H19 Co F9 N4 O2 P1.5 -","- C168 H152 Co8 F72 N32 O16 P12 -","8","1","","Jun Tao; Hiroyuki Maruyama; Osamu Sato","Valence Tautomeric Transitions with Thermal Hysteresis around Room Temperature and Photoinduced Effects Observed in a Cobalt-Tetraoxolene Complex","Journal of the American Chemical Society","2006","128","","1790","1791","10.1021/ja057488u","","","0.71073","MoKα","","0.1337","0.0696","","","0.1756","0.1965","","","","","","0.856","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110419","11.478","0.002","16.101","0.003","11.446","0.002","90","","91.27","0.03","90","","2114.8","0.7","173","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Co F6 N4 O2 P -","- C21 H19 Co F6 N4 O2 P -","- C84 H76 Co4 F24 N16 O8 P4 -","4","1","","Jun Tao; Hiroyuki Maruyama; Osamu Sato","Valence Tautomeric Transitions with Thermal Hysteresis around Room Temperature and Photoinduced Effects Observed in a Cobalt-Tetraoxolene Complex","Journal of the American Chemical Society","2006","128","","1790","1791","10.1021/ja057488u","","","0.71073","MoKα","","0.1268","0.0567","","","0.1074","0.1276","","","","","","0.877","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110420","17.939","0.004","15.43","0.003","21.338","0.004","90","","90","","90","","5906","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H25 Co F12 N4 O3 P2 -","- C24 H25 Co F12 N4 O3 P2 -","- C192 H200 Co8 F96 N32 O24 P16 -","8","1","","Jun Tao; Hiroyuki Maruyama; Osamu Sato","Valence Tautomeric Transitions with Thermal Hysteresis around Room Temperature and Photoinduced Effects Observed in a Cobalt-Tetraoxolene Complex","Journal of the American Chemical Society","2006","128","","1790","1791","10.1021/ja057488u","","","0.71073","MoKα","","0.1405","0.0417","","","0.0649","0.0812","","","","","","0.565","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110421","17.945","0.01","7.785","0.004","43.07","0.03","90","","90","","90","","6017","6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Bis{1-(pyridin-4-yl)-2- [2-(N-methylpyrrol-5-yl)]ethane}methane","","","- C19 H17 N3 -","- C19 H17 N3 -","- C304 H272 N48 -","16","2","","Antonio Facchetti; Luca Beverina; Milko E. van der Boom; Pulak Dutta; Guennadi Evmenenko; Atindra D. Shukla; Charlotte E. Stern; Giorgio A. Pagani; Tobin J. Marks","Strategies for Electrooptic Film Fabrication. Influence of Pyrrole-Pyridine-Based Dibranched Chromophore Architecture on Covalent Self-Assembly, Thin-Film Microstructure, and Nonlinear Optical Response","Journal of the American Chemical Society","2006","128","","2142","2153","10.1021/ja057556c","","","0.71073","MoKα","","0.2328","0.0655","","","0.1718","0.2285","","","","","","0.89","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110422","5.715","0.0004","9.49","0.0007","35.349","0.003","90","","90","","90","","1917.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-[(1R,2R)-2-{(+)-isomenthoxy}-3-oxacyclopentyl]phenol","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","","Hirohisa Ohmiya; Hideki Yorimitsu; Koichiro Oshima","Cobalt(diamine)-Catalyzed Cross-coupling Reaction of Alkyl Halides with Arylmagnesium Reagents: Stereoselective Constructions of Arylated Asymmetric Carbons and Application to Total Synthesis of AH13205","Journal of the American Chemical Society","2006","128","","1886","1889","10.1021/ja057560o","","","0.71073","MoKα","","0.137","0.0994","","","0.2802","0.3069","","","","","","1.013","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110423","9.6589","0.0014","14.408","0.002","19.01","0.003","90","","90","","90","","2645.5","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 O5 P -","- C31 H29 O5 P -","- C124 H116 O20 P4 -","4","1","","Mary R. Nahm; Justin R. Potnick; Peter S. White; Jeffrey S. Johnson","Metallophosphite-Catalyzed Asymmetric Acylation of α,β-Unsaturated Amides","Journal of the American Chemical Society","2006","128","","2751","2756","10.1021/ja056018x","","","0.71073","MoKα","","0.1492","0.0682","","","0.1342","0.1581","","","","","","1.032","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110424","11.64","0.03","21.09","0.03","11.95","0.02","90","","94.94","0.08","90","","2923","10","123.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H56 F6 N2 O2 P3 Rh -","- C70 H54 F6 N2 O2 P3 Rh -","- C140 H108 F12 N4 O4 P6 Rh2 -","2","1","","Ryo Shintani; Keiji Yashio; Tomoaki Nakamura; Kazuhiro Okamoto; Toyoshi Shimada; Tamio Hayashi","Rhodium-Catalyzed Asymmetric Synthesis of Indanones: Development of a New ""Axially Chiral"" Bisphosphine Ligand","Journal of the American Chemical Society","2006","128","","2772","2773","10.1021/ja056584s","","","0.7107","MoKα","","","0.084","","","","0.232","","","","","","0.847","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110425","8.7495","0.0017","12.734","0.002","22.81","0.005","90","","90","","90","","2541.4","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O6 S3 -","- C24 H26 N2 O6 S3 -","- C96 H104 N8 O24 S12 -","4","1","","Christian Hedberg; Klas Källström; Peter Brandt; Lars Kristian Hansen; Pher G. Andersson","Asymmetric Hydrogenation of Trisubstituted Olefins with Iridium-Phosphine Thiazole Complexes: A Further Investigation of the Ligand Structure","Journal of the American Chemical Society","2006","128","","2995","3001","10.1021/ja057178b","","","0.71069","MoKα","","0.1555","0.0465","","","0.084","0.1064","","","","","","0.861","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110426","8.6529","0.0019","12.381","0.003","17.422","0.004","90","","91.436","0.004","90","","1865.9","0.7","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N -","- C25 H25 N -","- C100 H100 N4 -","4","1","","Josephine S. Nakhla; Jeff W. Kampf; John P. Wolfe","Intramolecular Pd-Catalyzed Carboetherification and Carboamination. Influence of Catalyst Structure on Reaction Mechanism and Product Stereochemistry","Journal of the American Chemical Society","2006","128","","2893","2901","10.1021/ja057489m","","","0.71073","MoKα","","0.0697","0.0418","","","0.0891","0.1008","","","","","","1.024","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110427","10.1043","0.0015","10.161","0.0015","12.5238","0.0019","83.163","0.002","69.461","0.002","85.405","0.002","1194.5","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H29 N O -","- C32 H29 N O -","- C64 H58 N2 O2 -","2","1","","Josephine S. Nakhla; Jeff W. Kampf; John P. Wolfe","Intramolecular Pd-Catalyzed Carboetherification and Carboamination. Influence of Catalyst Structure on Reaction Mechanism and Product Stereochemistry","Journal of the American Chemical Society","2006","128","","2893","2901","10.1021/ja057489m","","","0.71073","MoKα","","0.0577","0.0479","","","0.1223","0.1304","","","","","","1.034","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110428","10.526","0.002","7.023","0.0015","24.427","0.005","90","","92.893","0.012","90","","1803.4","0.6","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N -","- C25 H25 N -","- C100 H100 N4 -","4","1","","Josephine S. Nakhla; Jeff W. Kampf; John P. Wolfe","Intramolecular Pd-Catalyzed Carboetherification and Carboamination. Influence of Catalyst Structure on Reaction Mechanism and Product Stereochemistry","Journal of the American Chemical Society","2006","128","","2893","2901","10.1021/ja057489m","","","0.71073","MoKα","","0.0808","0.0441","","","0.0992","0.1175","","","","","","1.022","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110429","15.918","0.003","7.5316","0.0011","15.47","0.002","90","","104.112","0.007","90","","1798.7","0.5","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N -","- C25 H25 N -","- C100 H100 N4 -","4","1","","Josephine S. Nakhla; Jeff W. Kampf; John P. Wolfe","Intramolecular Pd-Catalyzed Carboetherification and Carboamination. Influence of Catalyst Structure on Reaction Mechanism and Product Stereochemistry","Journal of the American Chemical Society","2006","128","","2893","2901","10.1021/ja057489m","","","0.71073","MoKα","","0.0504","0.0413","","","0.1113","0.1181","","","","","","1.038","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110430","10.268","0.003","10.634","0.003","12.104","0.003","109.298","0.004","90.865","0.004","112.971","0.004","1132.6","0.5","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H29 N -","- C31 H29 N -","- C62 H58 N2 -","2","1","","Josephine S. Nakhla; Jeff W. Kampf; John P. Wolfe","Intramolecular Pd-Catalyzed Carboetherification and Carboamination. Influence of Catalyst Structure on Reaction Mechanism and Product Stereochemistry","Journal of the American Chemical Society","2006","128","","2893","2901","10.1021/ja057489m","","","0.71073","MoKα","","0.0522","0.0417","","","0.1056","0.1124","","","","","","1.043","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110431","15.38","0.003","11.932","0.003","14.981","0.003","90","","102.314","0.005","90","","2686","1","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 O -","- C37 H32 O -","- C148 H128 O4 -","4","1","","Josephine S. Nakhla; Jeff W. Kampf; John P. Wolfe","Intramolecular Pd-Catalyzed Carboetherification and Carboamination. Influence of Catalyst Structure on Reaction Mechanism and Product Stereochemistry","Journal of the American Chemical Society","2006","128","","2893","2901","10.1021/ja057489m","","","0.71073","MoKα","","0.1158","0.0558","","","0.133","0.163","","","","","","1.016","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110432","5.9431","0.0008","16.656","0.002","19.147","0.003","86.81","0.007","89.35","0.007","88.314","0.008","1891.5","0.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N O -","- C25 H25 N O -","- C100 H100 N4 O4 -","4","2","","Josephine S. Nakhla; Jeff W. Kampf; John P. Wolfe","Intramolecular Pd-Catalyzed Carboetherification and Carboamination. Influence of Catalyst Structure on Reaction Mechanism and Product Stereochemistry","Journal of the American Chemical Society","2006","128","","2893","2901","10.1021/ja057489m","","","0.71073","MoKα","","0.0834","0.0619","","","0.1773","0.1925","","","","","","1.101","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110433","11.181","0.002","18.49","0.004","19.334","0.004","90","","111.4","0.03","90","","3721.5","1.5","180","1","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Dimitry-77 new","","","- C30 H66 F Li O3 Si3 -","- C30 H66 F Li O3 Si3 -","- C120 H264 F4 Li4 O12 Si12 -","4","1","","Gregory Molev; Dmitry Bravo-Zhivotovskii; Miriam Karni; Boris Tumanskii; Mark Botoshansky; Yitzhak Apeloig","Synthesis, Molecular Structure, and Reactivity of the Isolable Silylenoid with a Tricoordinate Silicon","Journal of the American Chemical Society","2006","128","","2784","2785","10.1021/ja0575880","","","0.71073","MoKα","","0.1237","0.0633","","","0.1605","0.1801","","","","","","0.955","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110434","30.008","0.007","8.4","0.004","7.701","0.003","90","","90","","90","","1941.2","1.3","298.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Se2 -","- C26 H16 Se2 -","- C104 H64 Se8 -","4","0.5","","Kazuo Takimiya; Yoshihito Kunugi; Yasushi Konda; Hideaki Ebata; Yuta Toyoshima; Tetsuo Otsubo","2,7-Diphenyl[1]benzoselenopheno[3,2-b][1]benzoselenophene as a Stable Organic Semiconductor for a High-Performance Field-Effect Transistor","Journal of the American Chemical Society","2006","128","","3044","3050","10.1021/ja057641k","","","0.7107","MoKα","","","0.0429","","","","0.1689","","","","","","0.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110435","12.037","0.002","6.025","0.001","8.42","0.001","90","","108.45","0.01","90","","579.26","0.16","298.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Se2 -","- C14 H8 Se2 -","- C28 H16 Se4 -","2","0.5","","Kazuo Takimiya; Yoshihito Kunugi; Yasushi Konda; Hideaki Ebata; Yuta Toyoshima; Tetsuo Otsubo","2,7-Diphenyl[1]benzoselenopheno[3,2-b][1]benzoselenophene as a Stable Organic Semiconductor for a High-Performance Field-Effect Transistor","Journal of the American Chemical Society","2006","128","","3044","3050","10.1021/ja057641k","","","0.7107","MoKα","","","0.0349","","","","0.1113","","","","","","0.897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110436","9.656","0.002","10.634","0.002","15.602","0.004","90","","103.175","0.005","90","","1559.9","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O -","- C20 H19 N O -","- C80 H76 N4 O4 -","4","1","","Robert T. Yu; Tomislav Rovis","Rhodium-Catalyzed [2 + 2 + 2] Cycloaddition of Alkenyl Isocyanates and Alkynes","Journal of the American Chemical Society","2006","128","","2782","2783","10.1021/ja057803c","","","0.71073","MoKα","","0.0869","0.0504","","","0.1195","0.1404","","","","","","1.025","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110437","7.6588","0.0008","10.0715","0.001","17.6024","0.0018","81.751","0.005","82.555","0.005","84.83","0.005","1328.9","0.2","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","(5-iodoresorcinol).(9,10-bis(4-pyridylethynyl)anthracene) 2/2","","- C34 H21 I N2 O2 -","- C34 H21 I N2 O2 -","- C68 H42 I2 N4 O4 -","2","1","","Anatoliy N. Sokolov; Tomislav Friščić; Leonard R. MacGillivray","Enforced Face-to-Face Stacking of Organic Semiconductor Building Blocks within Hydrogen-Bonded Molecular Cocrystals","Journal of the American Chemical Society","2006","128","","2806","2807","10.1021/ja057939a","","","0.71073","MoKα","","0.1043","0.048","","","0.1187","0.1584","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110438","10.1694","0.001","13.4373","0.0013","10.6937","0.0011","90","","98.135","0.005","90","","1446.6","0.2","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-bis(4-pyridylethynyl)thiophene","","- C18 H10 N2 S -","- C18 H10 N2 S -","- C72 H40 N8 S4 -","4","1","","Anatoliy N. Sokolov; Tomislav Friščić; Leonard R. MacGillivray","Enforced Face-to-Face Stacking of Organic Semiconductor Building Blocks within Hydrogen-Bonded Molecular Cocrystals","Journal of the American Chemical Society","2006","128","","2806","2807","10.1021/ja057939a","","","0.71073","MoKα","","0.0577","0.0374","","","0.0922","0.1179","","","","","","1.181","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110439","11.0531","0.0011","23.965","0.002","7.2633","0.0007","90","","97.055","0.005","90","","1909.4","0.3","190","2","190","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","9,10-bis(4-pyridylethynyl)anthracene","","- C28 H16 N2 -","- C28 H16 N2 -","- C112 H64 N8 -","4","0.5","","Anatoliy N. Sokolov; Tomislav Friščić; Leonard R. MacGillivray","Enforced Face-to-Face Stacking of Organic Semiconductor Building Blocks within Hydrogen-Bonded Molecular Cocrystals","Journal of the American Chemical Society","2006","128","","2806","2807","10.1021/ja057939a","","","0.71073","MoKα","","0.0644","0.0541","","","0.1504","0.1585","","","","","","1.063","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110440","8.1439","0.0008","19.0985","0.0019","28.074","0.003","89.826","0.005","88.74","0.005","89.57","0.005","4365.3","0.8","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","(5-methylresorcinol).(2,5-bis(4-pyridylethynyl)thiophene) 2/2","","- C25 H18 N2 O2 S -","- C25 H18 N2 O2 S -","- C200 H144 N16 O16 S8 -","8","4","","Anatoliy N. Sokolov; Tomislav Friščić; Leonard R. MacGillivray","Enforced Face-to-Face Stacking of Organic Semiconductor Building Blocks within Hydrogen-Bonded Molecular Cocrystals","Journal of the American Chemical Society","2006","128","","2806","2807","10.1021/ja057939a","","","0.71073","MoKα","","0.1676","0.0719","","","0.1468","0.1766","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110441","15.5666","0.0013","14.8684","0.0014","15.84","0.003","90","","90","","90","","3666.2","0.8","293","","293","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C38 H51 Br N P2 Rh -","- C38 H51 Br N P2 Rh -","- C152 H204 Br4 N4 P8 Rh4 -","4","0.5","","Sylvain Gatard; Remle Çelenligil-Çetin; Chengyun Guo; Bruce M. Foxman; Oleg V. Ozerov","Carbon-Halide Oxidative Addition and Carbon-Carbon Reductive Elimination at a (PNP)Rh Center","Journal of the American Chemical Society","2006","128","","2808","2809","10.1021/ja057948j","","","0.71073","MoKα","","0.104","0.0433","","0.092","0.0426","0.0426","","","","","","1.1163","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110442","9.448","0.0007","15.478","0.001","17.141","0.001","90","","94.165","0.001","90","","2500","0.3","120.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H41 P5 Ru -","- C19 H41 P5 Ru -","- C76 H164 P20 Ru4 -","4","1","","Vincent S. Chan; Ian C. Stewart; Robert G. Bergman; F. Dean Toste","Asymmetric Catalytic Synthesis of P-Stereogenic Phosphines via a Nucleophilic Ruthenium Phosphido Complex","Journal of the American Chemical Society","2006","128","","2786","2787","10.1021/ja058100y","","","0.7107","MoKα","","","0.0335","","","","0.0363","","","","","","1.295","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110443","16.354","0.001","13.2884","0.0009","22.9689","","90","","95.501","0.002","90","","4968.6","0.5","273.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H74 B O1.5 P5 Ru -","- C49 H74 B O1.5 P5 Ru -","- C196 H296 B4 O6 P20 Ru4 -","4","1","","Vincent S. Chan; Ian C. Stewart; Robert G. Bergman; F. Dean Toste","Asymmetric Catalytic Synthesis of P-Stereogenic Phosphines via a Nucleophilic Ruthenium Phosphido Complex","Journal of the American Chemical Society","2006","128","","2786","2787","10.1021/ja058100y","","","0.7107","MoKα","","0.0675","0.0402","","0.0567","","0.0515","","","","","","1.68","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110444","18.2932","0.0009","9.5539","0.0005","24.9971","0.0012","90","","90","","90","","4368.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(mu2-trifluoroacetateo-O,O')-bis(mu2-pivolate-O,O')-(bismuth-rhodium)","","- C14 H18 Bi F6 O8 Rh -","- C14 H18 Bi F6 O8 Rh -","- C112 H144 Bi8 F48 O64 Rh8 -","8","1","","Evgeny V. Dikarev; Bo Li; Haitao Zhang","Tuning the Properties at Heterobimetallic Core: Mixed-Ligand Bismuth-Rhodium Paddlewheel Carboxylates","Journal of the American Chemical Society","2006","128","","2814","2815","10.1021/ja058294h","","","0.71073","MoKα","","0.0231","0.0199","","","0.0437","0.0447","","","","","","1.067","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110445","8.769","0.0006","19.85","0.0013","9.4931","0.0006","90","","105.121","0.001","90","","1595.2","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tris(mu2-trifluoroacetateo-O,O')-(mu2-acetate-O,O')-(bismuth-rhodium)","","- C8 H3 Bi F9 O8 Rh -","- C8 H3 Bi F9 O8 Rh -","- C32 H12 Bi4 F36 O32 Rh4 -","4","1","","Evgeny V. Dikarev; Bo Li; Haitao Zhang","Tuning the Properties at Heterobimetallic Core: Mixed-Ligand Bismuth-Rhodium Paddlewheel Carboxylates","Journal of the American Chemical Society","2006","128","","2814","2815","10.1021/ja058294h","","","0.71073","MoKα","","0.0247","0.0224","","","0.0552","0.0561","","","","","","1.045","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110446","20.9073","0.0011","9.6475","0.0005","21.6942","0.0011","90","","102.675","0.001","90","","4269.2","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[bis(mu2-trifluoroacetateo-O,O')-bis(mu2-pivolate-O,O')-(bismuth-rhodium)]- [tris(mu2-trifluoroacetateo-O,O')-(mu2-pivolate-O,O')-(bismuth-rhodium)]","","- C25 H27 Bi2 F15 O16 Rh2 -","- C25 H27 Bi2 F15 O16 Rh2 -","- C100 H108 Bi8 F60 O64 Rh8 -","4","1","","Evgeny V. Dikarev; Bo Li; Haitao Zhang","Tuning the Properties at Heterobimetallic Core: Mixed-Ligand Bismuth-Rhodium Paddlewheel Carboxylates","Journal of the American Chemical Society","2006","128","","2814","2815","10.1021/ja058294h","","","0.71073","MoKα","","0.0441","0.0322","","","0.0743","0.0787","","","","","","1.038","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110447","25.2178","0.0015","25.2178","0.0015","17.4913","0.0012","90","","90","","90","","11123.4","1.2","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","bis(mu2-trifluoroacetateo-O,O')-bis(mu2-pivolate-O,O')-(bismuth-rhodium) -pivolic acid adduct","","- C19 H28 Bi F6 O10 Rh -","- C18.97 H27.91 Bi F5.94 O10 Rh -","- C303.52 H446.56 Bi16 F95.04 O160 Rh16 -","16","1","","Evgeny V. Dikarev; Bo Li; Haitao Zhang","Tuning the Properties at Heterobimetallic Core: Mixed-Ligand Bismuth-Rhodium Paddlewheel Carboxylates","Journal of the American Chemical Society","2006","128","","2814","2815","10.1021/ja058294h","","","0.71073","MoKα","","0.0763","0.0463","","","0.0992","0.1119","","","","","","1.034","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110448","13.317","0.005","22.302","0.005","17.194","0.005","90","","124.804","0.005","90","","4193","2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 As Cl5 N2 O Sn -","- C40 H48 As Cl5 N2 O Sn -","- C160 H192 As4 Cl20 N8 O4 Sn4 -","4","1","","Gregor Reeske; Clint R. Hoberg; Nicholas J. Hill; Alan H. Cowley","Capture of Phosphorus(I) and Arsenic(I) Moieties by a 1,2-Bis(arylimino)acenaphthene (Aryl-BIAN) Ligand. A Case of Intramolecular Charge Transfer","Journal of the American Chemical Society","2006","128","","2800","2801","10.1021/ja058459m","","","0.71069","MoKα","","0.1463","0.0513","","","0.0874","0.11","","","","","","0.938","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110449","13.189","0.005","22.335","0.005","14.637","0.005","90","","104.102","0.005","90","","4182","2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Cl5 N2 O P Sn -","- C40 H48 Cl5 N2 O P Sn -","- C160 H192 Cl20 N8 O4 P4 Sn4 -","4","1","","Gregor Reeske; Clint R. Hoberg; Nicholas J. Hill; Alan H. Cowley","Capture of Phosphorus(I) and Arsenic(I) Moieties by a 1,2-Bis(arylimino)acenaphthene (Aryl-BIAN) Ligand. A Case of Intramolecular Charge Transfer","Journal of the American Chemical Society","2006","128","","2800","2801","10.1021/ja058459m","","","0.71069","MoKα","","0.11","0.0471","","","0.0995","0.1199","","","","","","0.979","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110450","17.625","0.004","15.265","0.003","17.014","0.003","90","","114.03","0.03","90","","4180.8","1.8","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 I3 N2 P -","- C36 H40 I3 N2 P -","- C144 H160 I12 N8 P4 -","4","1","","Gregor Reeske; Clint R. Hoberg; Nicholas J. Hill; Alan H. Cowley","Capture of Phosphorus(I) and Arsenic(I) Moieties by a 1,2-Bis(arylimino)acenaphthene (Aryl-BIAN) Ligand. A Case of Intramolecular Charge Transfer","Journal of the American Chemical Society","2006","128","","2800","2801","10.1021/ja058459m","","","0.71073","MoKα","","0.1003","0.0478","","","0.1202","0.1331","","","","","","0.927","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110451","8.937","0.0013","8.937","0.0013","40.324","0.008","90","","90","","90","","3220.7","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 N10 S4 Zn -","- C32 H16 N10 S4 Zn -","- C128 H64 N40 S16 Zn4 -","4","1","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.0646","0.0402","","","0.0897","0.1048","","","","","","1.017","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110452","8.777","0.002","15.636","0.003","34.891","0.007","90","","90","","90","","4788.3","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 Co N6 -","- C28 H20 Co N6 -","- C224 H160 Co8 N48 -","8","2","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.0407","0.0314","","0.0725","0.0688","","","","0.966","1.002","1.002","","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110453","7.4345","0.0015","18.461","0.004","12.052","0.002","90","","107.77","0.03","90","","1575.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 N5 S2 -","- C16 H9 N5 S2 -","- C64 H36 N20 S8 -","4","1","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.0912","0.0473","","","0.1156","0.1442","","","","","","0.93","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110454","8.966","0.0013","8.966","0.0013","39.873","0.008","90","","90","","90","","3205.4","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 Cu N10 S4 -","- C32 H16 Cu N10 S4 -","- C128 H64 Cu4 N40 S16 -","4","1","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.0857","0.0473","","","0.0984","0.1153","","","","","","1.04","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110455","8.8643","0.0013","8.8643","0.0013","40.515","0.008","90","","90","","90","","3183.5","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 N10 Ni S4 -","- C32 H16 N10 Ni S4 -","- C128 H64 N40 Ni4 S16 -","4","1","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.1746","0.1171","","","0.3274","0.3478","","","","","","2.193","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110456","8.898","0.0013","8.898","0.0013","40.385","0.008","90","","90","","90","","3197.5","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 Co N10 S4 -","- C32 H16 Co N10 S4 -","- C128 H64 Co4 N40 S16 -","4","1","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.0384","0.0312","","","0.0819","0.0875","","","","","","1.076","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110457","8.917","0.0013","8.917","0.0013","40.516","0.008","90","","90","","90","","3221.5","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 Fe N10 S4 -","- C32 H16 Fe N10 S4 -","- C128 H64 Fe4 N40 S16 -","4","1","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.1688","0.0787","","","0.1776","0.2214","","","","","","1.056","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110458","17.119","0.003","11.551","0.002","14.902","0.003","90","","118.09","0.03","90","","2599.6","1.1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28.5 H21 Cl N6 Zn -","- C28.5 H21 Cl N6 Zn -","- C114 H84 Cl4 N24 Zn4 -","4","1","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.0615","0.0506","","0.1679","0.139","","","","0.899","0.918","0.918","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110459","11.2388","0.0006","14.2154","0.001","22.1303","0.0011","79.479","0.004","82.355","0.003","67.324","0.004","3199.8","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C73 H62 O12 P3 Se3 -","- C73 H62 O12 P3 Se3 -","- C146 H124 O24 P6 Se6 -","2","1","","Elizabeth E. Hamilton; Phillip E. Fanwick; Jonathan J. Wilker","Alkylation of Inorganic Oxo Compounds and Insights on Preventing DNA Damage","Journal of the American Chemical Society","2006","128","","3388","3395","10.1021/ja056568v","","","0.71073","MO-Kα","","0.087","0.068","","","0.179","0.189","","","","","","1.057","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110460","15.64","0.005","9.128","0.003","17.615","0.006","90","","97.83","0.02","90","","2491.3","1.4","293.1","","","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C30 H36 N2 O3 -","- C30 H36 N2 O3 -","- C120 H144 N8 O12 -","4","1","","Shunji Aoki; Yasuo Watanabe; Mami Sanagawa; Andi Setiawan; Naoyuki Kotoku; Motomasa Kobayashi","Cortistatins A, B, C, and D, Anti-angiogenic Steroidal Alkaloids, from the Marine Sponge Corticium simplex","Journal of the American Chemical Society","2006","128","","3148","3149","10.1021/ja057404h","","","1.5419","CuK\/Ya","","","0.058","","","","0.16","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110461","16.609","0.002","15.269","0.005","21.061","0.006","90","","105.68","0.05","90","","5142","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42.1 H42.4 Mn2 N8 O10.1 S8 -","- C42.1 H42.4 Mn2 N8 O10.1 S8 -","- C168.4 H169.6 Mn8 N32 O40.4 S32 -","4","1","","Chahrazed Beghidja; Guillaume Rogez; Jens Kortus; Marcel Wesolek; Richard Welter","Very Strong Ferromagnetic Interaction in a New Binuclear μ-Methoxo-Bridged Mn(III) Complex: Synthesis, Crystal Structure, Magnetic Properties, and DFT Calculations","Journal of the American Chemical Society","2006","128","","3140","3141","10.1021/ja0575023","","","0.71069","MoKα","","0.2276","0.0957","","","0.1331","0.1675","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110462","13.421","0.002","21.299","0.003","19.054","0.003","90","","127.91","0.05","90","","4297","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Cl6 Mn N6 O6 S6 -","- C32 H29 Cl6 Mn N6 O6 S6 -","- C128 H116 Cl24 Mn4 N24 O24 S24 -","4","1","","Chahrazed Beghidja; Guillaume Rogez; Jens Kortus; Marcel Wesolek; Richard Welter","Very Strong Ferromagnetic Interaction in a New Binuclear μ-Methoxo-Bridged Mn(III) Complex: Synthesis, Crystal Structure, Magnetic Properties, and DFT Calculations","Journal of the American Chemical Society","2006","128","","3140","3141","10.1021/ja0575023","","","0.71069","MoKα","","0.1939","0.0827","","","0.1587","0.195","","","","","","1.064","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110463","8.7592","0.001","11.9627","0.0014","15.3124","0.0018","103.245","0.002","99.236","0.002","105.793","0.002","1459.7","0.3","173","2","173","2","","","","","","","Nermeen W. Aboelella","4","P -1","-P 1","2","04215","","","- C33 H42 N2 S -","- C33 H42 N2 S -","- C66 H84 N4 S2 -","2","1","","Nermeen W. Aboelella; Benjamin F. Gherman; Lyndal M. R. Hill; John T. York; Nicole Holm; Victor G. Young; Christopher J. Cramer; William B. Tolman","Effects of Thioether Substituents on the O2 Reactivity of β-Diketiminate-Cu(I) Complexes: Probing the Role of the Methionine Ligand in Copper Monooxygenases","Journal of the American Chemical Society","2006","128","","3445","3458","10.1021/ja057745v","","","0.71073","MoKα","","0.0903","0.0561","","","0.117","0.1289","","","","","","1.044","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110464","8.954","0.0009","14.7632","0.0014","25.849","0.003","90","","98.649","0.002","90","","3378.1","0.6","173","2","173","2","","","","","","","Nermeen W. Aboelella","6","P 1 21/n 1","-P 2yn","14","04339","","","- C28 H38.9 Cl1.1 Cu N2 S -","- C28 H38.903 Cl1.097 Cu N2 S -","- C112 H155.612 Cl4.388 Cu4 N8 S4 -","4","1","","Nermeen W. Aboelella; Benjamin F. Gherman; Lyndal M. R. Hill; John T. York; Nicole Holm; Victor G. Young; Christopher J. Cramer; William B. Tolman","Effects of Thioether Substituents on the O2 Reactivity of β-Diketiminate-Cu(I) Complexes: Probing the Role of the Methionine Ligand in Copper Monooxygenases","Journal of the American Chemical Society","2006","128","","3445","3458","10.1021/ja057745v","","","0.71073","MoKα","","0.0799","0.0566","","","0.1264","0.1334","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110465","17.524","0.002","9.7927","0.0013","23.842","0.003","90","","109.852","0.002","90","","3848.3","0.8","173","2","173","2","","","","","","","Nermeen W. Aboelella","6","P 1 21/n 1","-P 2yn","14","05030","","","- C40 H48.53 Cl1.47 Cu N2 S -","- C40 H48.527 Cl1.473 Cu N2 S -","- C160 H194.108 Cl5.892 Cu4 N8 S4 -","4","1","","Nermeen W. Aboelella; Benjamin F. Gherman; Lyndal M. R. Hill; John T. York; Nicole Holm; Victor G. Young; Christopher J. Cramer; William B. Tolman","Effects of Thioether Substituents on the O2 Reactivity of β-Diketiminate-Cu(I) Complexes: Probing the Role of the Methionine Ligand in Copper Monooxygenases","Journal of the American Chemical Society","2006","128","","3445","3458","10.1021/ja057745v","","","0.71073","MoKα","","0.0965","0.0472","","","0.1122","0.1424","","","","","","1.108","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110466","15.3298","0.0011","20.5896","0.0017","17.0866","0.0013","90","","102.373","0.003","90","","5267.9","0.7","100","2","100","1","","","","","","","Nermeen W. Aboelella","5","P 1 21/n 1","-P 2yn","14","CMC0384","","","- C56 H78 Cu2 N4 S2 -","- C56 H78 Cu2 N4 S2 -","- C224 H312 Cu8 N16 S8 -","4","1","","Nermeen W. Aboelella; Benjamin F. Gherman; Lyndal M. R. Hill; John T. York; Nicole Holm; Victor G. Young; Christopher J. Cramer; William B. Tolman","Effects of Thioether Substituents on the O2 Reactivity of β-Diketiminate-Cu(I) Complexes: Probing the Role of the Methionine Ligand in Copper Monooxygenases","Journal of the American Chemical Society","2006","128","","3445","3458","10.1021/ja057745v","","","0.48595","","","0.0741","0.0483","","","0.1084","0.119","","","","","","1.063","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110467","22.221","0.003","17.274","0.002","10.8415","0.0015","90","","92.558","0.002","90","","4157.3","0.9","173","2","173","2","","","","","","","Nermeen W. Aboelella","6","C 1 c 1","C -2yc","9","05208","","","- C46 H54 Cu N2 P S -","- C46 H54 Cu N2 P S -","- C184 H216 Cu4 N8 P4 S4 -","4","1","","Nermeen W. Aboelella; Benjamin F. Gherman; Lyndal M. R. Hill; John T. York; Nicole Holm; Victor G. Young; Christopher J. Cramer; William B. Tolman","Effects of Thioether Substituents on the O2 Reactivity of β-Diketiminate-Cu(I) Complexes: Probing the Role of the Methionine Ligand in Copper Monooxygenases","Journal of the American Chemical Society","2006","128","","3445","3458","10.1021/ja057745v","","","0.71073","MoKα","","0.0653","0.0503","","","0.1142","0.1201","","","","","","1.04","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110468","9.2282","0.0004","30.229","0.0012","9.1425","0.0004","90","","111.419","0.001","90","","2374.24","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H41 Cl Hf N2 -","- C22 H41 Cl Hf N2 -","- C88 H164 Cl4 Hf4 N8 -","4","1","","Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita","Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers","Journal of the American Chemical Society","2006","128","","3420","3432","10.1021/ja057866v","","","0.71073","MoKα","","0.0222","0.0204","","","0.041","0.0415","","","","","","1.215","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110469","9.218","0.0013","16.162","0.002","15.474","0.002","90","","92.584","0.002","90","","2303","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 Cl N2 Zr -","- C21 H39 Cl N2 Zr -","- C84 H156 Cl4 N8 Zr4 -","4","1","","Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita","Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers","Journal of the American Chemical Society","2006","128","","3420","3432","10.1021/ja057866v","","","0.71073","MoKα","","0.0223","0.0208","","","0.0534","0.0544","","","","","","1.085","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110470","8.9207","0.0011","9.2385","0.0012","16.376","0.002","90.222","0.002","94.385","0.002","115.936","0.002","1209.1","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H41 Br N2 Zr -","- C22 H41 Br N2 Zr -","- C44 H82 Br2 N4 Zr2 -","2","1","","Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita","Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers","Journal of the American Chemical Society","2006","128","","3420","3432","10.1021/ja057866v","","","0.71073","MoKα","","0.0337","0.0268","","","0.0685","0.0711","","","","","","1.056","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110471","17.3325","0.0008","9.5577","0.0004","17.4875","0.0008","90","","113.47","0.001","90","","2657.3","0.2","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H45 Br0.79 Cl0.21 N2 Zr -","- C24 H45 Br0.79 Cl0.21 N2 Zr -","- C96 H180 Br3.16 Cl0.84 N8 Zr4 -","4","1","","Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita","Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers","Journal of the American Chemical Society","2006","128","","3420","3432","10.1021/ja057866v","","","0.71073","MoKα","","0.0265","0.0207","","","0.0514","0.0544","","","","","","1.066","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110472","9.2477","0.0006","30.3164","0.0018","9.1329","0.0006","90","","110.95","0.001","90","","2391.2","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H41 Cl N2 Zr -","- C22 H41 Cl N2 Zr -","- C88 H164 Cl4 N8 Zr4 -","4","1","","Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita","Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers","Journal of the American Chemical Society","2006","128","","3420","3432","10.1021/ja057866v","","","0.71073","MoKα","","0.0485","0.0344","","","0.0898","0.0979","","","","","","1.075","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110473","9.0417","0.0005","16.1399","0.0008","15.5233","0.0008","90","","91.879","0.001","90","","2264.1","0.2","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H40 N2 Zr -","- C21 H40 N2 Zr -","- C84 H160 N8 Zr4 -","4","1","","Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita","Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers","Journal of the American Chemical Society","2006","128","","3420","3432","10.1021/ja057866v","","","0.71073","MoKα","","0.0566","0.0473","","","0.1273","0.1333","","","","","","1.1","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110474","9.2986","0.0003","16.2375","0.0005","15.5392","0.0004","90","","92.832","0.001","90","","2343.34","0.12","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H42 N2 Zr -","- C22 H42 N2 Zr -","- C88 H168 N8 Zr4 -","4","1","","Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita","Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers","Journal of the American Chemical Society","2006","128","","3420","3432","10.1021/ja057866v","","","0.71073","MoKα","","0.027","0.0229","","","0.0617","0.0645","","","","","","1.063","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110475","22.4585","0.0004","22.4585","0.0004","8.8491","0.0003","90","","90","","120","","3865.37","0.16","193","2","193","2","","","","","","","","4","P 61","P 61","169","","","","- C23.83 H46 N2 Zr -","- C23.85 H46.04 N2 Zr -","- C143.1 H276.24 N12 Zr6 -","6","1","","Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita","Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers","Journal of the American Chemical Society","2006","128","","3420","3432","10.1021/ja057866v","","","0.71073","MoKα","","0.0441","0.0355","","","0.0939","0.1075","","","","","","1.168","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110476","8.8883","0.0005","9.2527","0.0005","16.336","0.0009","88.725","0.001","84.768","0.001","65.939","0.001","1221.48","0.12","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H44 N2 Zr -","- C23 H44 N2 Zr -","- C46 H88 N4 Zr2 -","2","1","","Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita","Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers","Journal of the American Chemical Society","2006","128","","3420","3432","10.1021/ja057866v","","","0.71073","MoKα","","0.0273","0.0241","","","0.0633","0.0651","","","","","","1.062","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110477","11.2046","0.0008","13.3258","0.0009","17.327","0.0012","70.929","0.001","72.116","0.001","77.017","0.001","2304.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H41 B F20 N2 Zr -","- C46 H41 B F20 N2 Zr -","- C92 H82 B2 F40 N4 Zr2 -","2","1","","Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita","Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers","Journal of the American Chemical Society","2006","128","","3420","3432","10.1021/ja057866v","","","0.71073","MoKα","","0.06","0.046","","","0.1234","0.1323","","","","","","1.079","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110478","8.8038","0.0005","14.5333","0.0007","29.4585","0.0015","90","","90","","90","","3769.2","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H38 B N7 O2 Zn -","- C42 H38 B N7 O2 Zn -","- C168 H152 B4 N28 O8 Zn4 -","4","1","","Faith E. Jacobsen; Jana A. Lewis; Seth M. Cohen","A New Role for Old Ligands: Discerning Chelators for Zinc Metalloproteinases","Journal of the American Chemical Society","2006","128","","3156","3157","10.1021/ja057957s","","","0.71073","MoKα","","0.031","0.0288","","","0.0726","0.0736","","","","","","1.043","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110479","10.0324","0.0016","15.908","0.003","17.854","0.003","110.757","0.003","94.391","0.003","103.41","0.003","2552","0.8","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C98 H94 Cl6 F6 Mo4 N12 O16 P -","- C98 H94 Cl6 F6 Mo4 N12 O16 P -","- C98 H94 Cl6 F6 Mo4 N12 O16 P -","1","0.5","","F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Rongmin Yu","Uniquely Strong Electronic Communication between [Mo2] Units Linked by Dioxolene Dianions","Journal of the American Chemical Society","2006","128","","3281","3290","10.1021/ja0582962","","","0.71073","MoKα","","0.0747","0.0436","","","0.1025","0.1205","","","","","","1.014","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110480","11.4374","0.0013","13.6387","0.0016","16.1803","0.0018","95.478","0.002","99.144","0.002","104.669","0.002","2386.2","0.5","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H96 Cl4 Mo4 N12 O16 -","- C98 H96 Cl4 Mo4 N12 O16 -","- C98 H96 Cl4 Mo4 N12 O16 -","1","0.5","","F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Rongmin Yu","Uniquely Strong Electronic Communication between [Mo2] Units Linked by Dioxolene Dianions","Journal of the American Chemical Society","2006","128","","3281","3290","10.1021/ja0582962","","","0.71073","MoKα","","0.0445","0.0359","","","0.0873","0.0954","","","","","","1.052","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110481","12.964","0.002","25.107","0.004","17.187","0.003","90","","103.35","0.003","90","","5443","1.5","213","2","213","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C103 H106 Cl8 Mo4 N12 O17 -","- C103 H90 Cl8 Mo4 N12 O17 -","- C206 H180 Cl16 Mo8 N24 O34 -","2","0.5","","F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Rongmin Yu","Uniquely Strong Electronic Communication between [Mo2] Units Linked by Dioxolene Dianions","Journal of the American Chemical Society","2006","128","","3281","3290","10.1021/ja0582962","","","0.71073","MoKα","","0.0842","0.057","","","0.1478","0.1694","","","","","","1.041","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110482","17.349","0.011","25.446","0.016","12.888","0.008","90","","103.516","0.01","90","","5532","6","213","2","213","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C96 H100 Mo4 N14 O25 -","- C96 H90 Mo4 N14 O25 -","- C192 H180 Mo8 N28 O50 -","2","0.25","","F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Rongmin Yu","Uniquely Strong Electronic Communication between [Mo2] Units Linked by Dioxolene Dianions","Journal of the American Chemical Society","2006","128","","3281","3290","10.1021/ja0582962","","","0.71073","MoKα","","0.1542","0.1259","","","0.3081","0.331","","","","","","1.118","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110483","15.892","0.002","17.715","0.002","20.794","0.003","76.494","0.003","67.595","0.002","72.588","0.002","5116.6","1.1","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C98 H96 Cl4 F6 Mo4 N12 O16 P -","- C98 H96 Cl4 F6 Mo4 N12 O16 P -","- C196 H192 Cl8 F12 Mo8 N24 O32 P2 -","2","1","","F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Rongmin Yu","Uniquely Strong Electronic Communication between [Mo2] Units Linked by Dioxolene Dianions","Journal of the American Chemical Society","2006","128","","3281","3290","10.1021/ja0582962","","","0.71073","MoKα","","0.1257","0.0543","","","0.1241","0.1634","","","","","","1.009","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110484","12.165","0.002","14.823","0.003","17.749","0.003","71.616","0.015","77.542","0.012","84.788","0.008","2964.8","1","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H62 B Cl F20 N O2 P Ti -","- C60 H62 B Cl F20 N O2 P Ti -","- C120 H124 B2 Cl2 F40 N2 O4 P2 Ti2 -","2","1","","Kuangbiao Ma; Warren E. Piers; Masood Parvez","Competitive ArC-H and ArC-X (X = Cl, Br) Activation in Halobenzenes at Cationic Titanium Centers","Journal of the American Chemical Society","2006","128","","3303","3312","10.1021/ja0583618","","","0.71073","MoKα","","0.1365","0.0579","","","0.1337","0.1645","","","","","","0.996","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110485","12.244","0.002","14.765","0.002","17.718","0.003","71.772","0.007","77.525","0.006","84.712","0.007","2969.5","0.8","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H62 B Br F20 N O2 P Ti -","- C60.002 H62 B Br F20 N O2.001 P Ti -","- C120.004 H124 B2 Br2 F40 N2 O4.002 P2 Ti2 -","2","1","","Kuangbiao Ma; Warren E. Piers; Masood Parvez","Competitive ArC-H and ArC-X (X = Cl, Br) Activation in Halobenzenes at Cationic Titanium Centers","Journal of the American Chemical Society","2006","128","","3303","3312","10.1021/ja0583618","","","0.71073","MoKα","","0.1083","0.0755","","","0.2055","0.2294","","","","","","1.05","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110486","12.343","0.002","14.797","0.003","14.932","0.004","83.933","0.009","89.154","0.009","67.526","0.015","2505","1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H46 B Cl F20 N P Ti -","- C52 H46 B Cl F20 N P Ti -","- C104 H92 B2 Cl2 F40 N2 P2 Ti2 -","2","1","","Kuangbiao Ma; Warren E. Piers; Masood Parvez","Competitive ArC-H and ArC-X (X = Cl, Br) Activation in Halobenzenes at Cationic Titanium Centers","Journal of the American Chemical Society","2006","128","","3303","3312","10.1021/ja0583618","","","0.71073","MoKα","","0.0693","0.0417","","","0.1003","0.1141","","","","","","0.999","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110487","5.501","0.005","10.385","0.009","16.917","0.014","90","","90","","90","","966.4","1.5","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O -","- C13 H14 O -","- C52 H56 O4 -","4","1","","Vincent Mascitti; E. J. Corey","Enantioselective Synthesis of Pentacycloanammoxic Acid","Journal of the American Chemical Society","2006","128","","3118","3119","10.1021/ja058370g","","","0.71073","MoKα","","0.1887","0.0847","","","0.1809","0.2284","","","","","","1.023","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110488","8.8744","0.0018","19.153","0.004","9.2647","0.0019","90","","108.67","0.03","90","","1491.9","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H45 O P2 Rh -","- C31 H45 O P2 Rh -","- C62 H90 O2 P4 Rh2 -","2","1","","Pinjing Zhao; Christopher D. Incarvito; John F. Hartwig","Direct Observation of β-Aryl Eliminations from Rh(I) Alkoxides","Journal of the American Chemical Society","2006","128","","3124","3125","10.1021/ja058550q","","","0.71073","MoKα","","0.0634","0.0431","","","0.0877","0.0948","","","","","","1.02","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110489","8.9136","0.0011","14.4549","0.0017","14.9526","0.0017","73.416","0.003","75.619","0.003","84.322","0.003","1787.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C H2 B11 Cl11 -","- C H2 B11 Cl11 -","- C4 H8 B44 Cl44 -","4","2","","Evgenii S. Stoyanov; Stephan P. Hoffmann; Mark Juhasz; Christopher A. Reed","The Structure of the Strongest Brønsted Acid: The Carborane Acid H(CHB11Cl11)","Journal of the American Chemical Society","2006","128","","3160","3161","10.1021/ja058581l","","","0.71073","MoKα","","0.121","0.0514","","","0.0812","0.0971","","","","","","1.012","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110490","8.694","0.0017","10.418","0.002","11.275","0.002","90","","110.91","0.03","90","","954","0.4","253","2","253","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N O -","- C12 H11 N O -","- C48 H44 N4 O4 -","4","1","","Kai-Tai Yip; Min Yang; Ka-Lun Law; Nian-Yong Zhu; Dan Yang","Pd(II)-Catalyzed Enantioselective Oxidative Tandem Cyclization Reactions. Synthesis of Indolines through C-N and C-C Bond Formation","Journal of the American Chemical Society","2006","128","","3130","3131","10.1021/ja060291x","","","0.71073","MoKα","","0.0747","0.0565","","","0.165","0.1737","","","","","","1.167","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110491","5.605","0.0011","11.22","0.002","22.945","0.005","90","","90","","90","","1443","0.5","301","2","301","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Cl N O -","- C18 H14 Cl N O -","- C72 H56 Cl4 N4 O4 -","4","1","","Kai-Tai Yip; Min Yang; Ka-Lun Law; Nian-Yong Zhu; Dan Yang","Pd(II)-Catalyzed Enantioselective Oxidative Tandem Cyclization Reactions. Synthesis of Indolines through C-N and C-C Bond Formation","Journal of the American Chemical Society","2006","128","","3130","3131","10.1021/ja060291x","","","0.71073","MoKα","","0.0545","0.033","","","0.0699","0.0742","","","","","","0.845","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110492","10.0193","0.0006","20.799","0.001","12.0023","0.0007","90","","112.696","0.002","90","","2307.5","0.2","273.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C12 H18 B2 F8 N6 Pd2 -","- C12 H18 B2 F8 N6 Pd2 -","- C48 H72 B8 F32 N24 Pd8 -","4","1","","Tetsuro Murahashi; Hiromitsu Nakashima; Tomoki Nagai; Yukari Mino; Taketoshi Okuno; M. Abdul Jalil; Hideo Kurosawa","Stereoretentive Elimination and Trans-olefination of the Dicationic Dipalladium Moiety [Pd2Ln]2+ Bound on 1,3,5-Trienes","Journal of the American Chemical Society","2006","128","","4377","4388","10.1021/ja0576740","","","0.7107","MoKα","","","0.0406","","","","0.0501","","","","","","2.427","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110493","17.2416","0.0003","12.1588","0.0003","29.5145","0.0005","90","","90","","90","","6187.3","0.2","277.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H36 B2 F8 N4 Pd2 -","- C22 H36 B2 F8.5 N4 Pd2 -","- C176 H288 B16 F68 N32 Pd16 -","8","1","","Tetsuro Murahashi; Hiromitsu Nakashima; Tomoki Nagai; Yukari Mino; Taketoshi Okuno; M. Abdul Jalil; Hideo Kurosawa","Stereoretentive Elimination and Trans-olefination of the Dicationic Dipalladium Moiety [Pd2Ln]2+ Bound on 1,3,5-Trienes","Journal of the American Chemical Society","2006","128","","4377","4388","10.1021/ja0576740","","","0.7107","MoKα","","","0.0359","","","","0.0401","","","","","","0.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110494","14.4348","0.0003","14.8652","0.0004","16.9596","0.0004","72.4075","0.0005","90.278","0.001","81.7435","0.0007","3428.48","0.14","213.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 B2 F8 O Pd2 -","- C36 H33 B2 F8 O Pd2 -","- C144 H132 B8 F32 O4 Pd8 -","4","2","","Tetsuro Murahashi; Hiromitsu Nakashima; Tomoki Nagai; Yukari Mino; Taketoshi Okuno; M. Abdul Jalil; Hideo Kurosawa","Stereoretentive Elimination and Trans-olefination of the Dicationic Dipalladium Moiety [Pd2Ln]2+ Bound on 1,3,5-Trienes","Journal of the American Chemical Society","2006","128","","4377","4388","10.1021/ja0576740","","","0.7107","MoKα","","","0.0423","","","","0.0805","","","","","","0.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110495","32.791","0.004","8.962","0.002","19.133","0.003","90","","113.577","0.01","90","","5153.3","1.6","296.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 F12 N2 P4 Pd2 -","- C46 H44 F12 N2 P4 Pd2 -","- C184 H176 F48 N8 P16 Pd8 -","4","0.5","","Tetsuro Murahashi; Hiromitsu Nakashima; Tomoki Nagai; Yukari Mino; Taketoshi Okuno; M. Abdul Jalil; Hideo Kurosawa","Stereoretentive Elimination and Trans-olefination of the Dicationic Dipalladium Moiety [Pd2Ln]2+ Bound on 1,3,5-Trienes","Journal of the American Chemical Society","2006","128","","4377","4388","10.1021/ja0576740","","","0.7107","MoKα","","","0.0774","","","","0.0746","","","","","","3.569","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110496","11.2882","0.0007","13.2925","0.0007","22.3203","0.0015","90","0.001","98.459","0.001","90","0.001","3312.7","0.3","200.15","","200.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H55 N Si5 -","- C27 H55 N Si5 -","- C108 H220 N4 Si20 -","4","1","","Takashi Abe; Takeaki Iwamoto; Chizuko Kabuto; Mitsuo Kira","Synthesis, Structure, and Bonding of Stable Dialkylsilaketenimines","Journal of the American Chemical Society","2006","128","","4228","4229","10.1021/ja057917o","","","0.7107","MoKα","","0.06","0.0572","","","0.1372","0.1383","","","","","","1.31","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110497","11.737","0.003","18.39","0.005","16.713","0.005","90","","100.589","0.001","90","","3546","1.7","243.15","","243.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H57 N Si5 -","- C29 H57 N Si5 -","- C116 H228 N4 Si20 -","4","1","","Takashi Abe; Takeaki Iwamoto; Chizuko Kabuto; Mitsuo Kira","Synthesis, Structure, and Bonding of Stable Dialkylsilaketenimines","Journal of the American Chemical Society","2006","128","","4228","4229","10.1021/ja057917o","","","0.7107","MoKα","","0.1241","0.0566","","","0.1058","0.1386","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110498","14.0709","0.0002","14.403","0.0002","16.1673","0.0003","103.526","0.001","104.757","0.001","94.708","0.001","3045.4","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H82 Ag2 N8 O9 -","- C52 H62 Ag2 N8 O10 -","- C104 H124 Ag4 N16 O20 -","2","1","","Jonathan L. Sessler; Elisa Tomat; Vincent M. Lynch","Positive Homotropic Allosteric Binding of Silver(I) Cations in a Schiff Base Oligopyrrolic Macrocycle","Journal of the American Chemical Society","2006","128","","4184","4185","10.1021/ja0582004","","","0.71073","MoKα","","0.1295","0.0563","","","0.1131","0.1222","","","","","","1.459","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110499","13.367","0.005","15.164","0.005","19.145","0.005","90","0.005","90","0.005","90","0.005","3881","2","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","[Et4N][Mo(Cl)(PPh3)(mnt)2].CH2Cl2","","- C35 H37 Cl3 Mo N5 P S4 -","- C35 H37 Cl3 Mo N5 P S4 -","- C140 H148 Cl12 Mo4 N20 P4 S16 -","4","0.5","","Amit Majumdar; Kuntal Pal; Sabyasachi Sarkar","Chemistry of [Et4N][MoIV(SPh)(PPh3)(mnt)2] as an Analogue of Dissimilatory Nitrate Reductase with Its Inactivation on Substitution of Thiolate by Chloride","Journal of the American Chemical Society","2006","128","","4196","4197","10.1021/ja0586135","","","0.71069","MoKα","","0.0924","0.0721","","","0.1841","0.1971","","","","","","1.033","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110500","10.882","0.005","11.881","0.005","17.999","0.005","98.561","0.005","103.122","0.005","97.945","0.005","2205","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[Et4N][Mo(SPh)(PPh3)(mnt)2].CH2Cl2","","- C41 H42 Cl2 Mo N5 P S5 -","- C41 H42 Cl2 Mo N5 P S5 -","- C82 H84 Cl4 Mo2 N10 P2 S10 -","2","1","","Amit Majumdar; Kuntal Pal; Sabyasachi Sarkar","Chemistry of [Et4N][MoIV(SPh)(PPh3)(mnt)2] as an Analogue of Dissimilatory Nitrate Reductase with Its Inactivation on Substitution of Thiolate by Chloride","Journal of the American Chemical Society","2006","128","","4196","4197","10.1021/ja0586135","","","0.71069","MoKα","","0.0759","0.0576","","","0.1259","0.1358","","","","","","1.068","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110501","25.3637","0.0001","25.3637","0.0001","68.031","0.0007","90","","90","","90","","43765.5","0.5","90","2","90","0.2","","","","","","","","9","I 41/a c d :2","-I 4bd 2c","142","","","","- C142 H176 B4 F12 Fe4 N78 Ni4 O27 S4 -","- C142 H176 B4 F12 Fe4 N78 Ni4 O27 S4 -","- C1136 H1408 B32 F96 Fe32 N624 Ni32 O216 S32 -","8","0.25","","Dongfeng Li; Sean Parkin; Guangbin Wang; Gordon T. Yee; Rodolphe Clérac; Wolfgang Wernsdorfer; Stephen M. Holmes","An S=6 Cyanide-Bridged Octanuclear FeIII4NiII4 Complex that Exhibits Slow Relaxation of the Magnetization","Journal of the American Chemical Society","2006","128","","4214","4215","10.1021/ja058626i","","","1.54178","CuKα","","0.1681","0.1148","","","0.3336","0.3821","","","","","","1.382","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110502","12.4802","0.0006","21.0374","0.001","13.4698","0.0005","90","","90","","90","","3536.5","0.3","298","","298","","","","","","","","","2","A m m 2","A 2 -2","38","Zeolite ITQ-24","IWR","","- O2 Si -","- O2 Si -","- O112 Si56 -","56","7","","Angel Cantín; Avelino Corma; Maria J. Diaz-Cabanas; Jose L. Jordá; Manuel Moliner","Rational Design and HT Techniques Allow the Synthesis of New IWR Zeolite Polymorphs","Journal of the American Chemical Society","2006","128","","4216","4217","10.1021/ja0603599","powder diffraction","","","CuKα","","","","","","","","","6.7843","3.01","","","","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110503","20.72","0.003","7.0822","0.001","22.878","0.003","90","","90","","90","","3357.2","0.8","223","2","223","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C11 H9 Cd N Na O10 S -","- C11 H9 Cd N Na O10 S -","- C88 H72 Cd8 N8 Na8 O80 S8 -","8","1","","Satoshi Horike; Ryotaro Matsuda; Daisuke Tanaka; Motohiro Mizuno; Kazunaka Endo; Susumu Kitagawa","Immobilization of Sodium Ions on the Pore Surface of a Porous Coordination Polymer","Journal of the American Chemical Society","2006","128","","4222","4223","10.1021/ja0606879","","","0.7107","MoKα","","0.0744","0.074","","","0.1998","0.2001","","","","","","1.098","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110504","39.522","0.019","11.059","0.005","17.032","0.008","90","","106.713","0.014","90","","7130","6","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H62 Co N3 P2 Si3 -","- C26 H62 Co N3 P2 Si3 -","- C208 H496 Co8 N24 P16 Si24 -","8","1","","Michael J. Ingleson; Maren Pink; Kenneth G. Caulton","Reducing Power of Three-Coordinate Cobalt(I)","Journal of the American Chemical Society","2006","128","","4248","4249","10.1021/ja0607279","","","0.71073","MoKα","","0.0453","0.033","","","0.0766","0.0847","","","","","","1.084","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110505","21.527","0.005","9.883","0.003","21.065","0.005","90","","116.076","0.005","90","","4025.4","1.8","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H58 Co I3 N P2 Si2 -","- C28 H58 Co I3 N P2 Si2 -","- C112 H232 Co4 I12 N4 P8 Si8 -","4","1","","Michael J. Ingleson; Maren Pink; Kenneth G. Caulton","Reducing Power of Three-Coordinate Cobalt(I)","Journal of the American Chemical Society","2006","128","","4248","4249","10.1021/ja0607279","","","0.71073","MoKα","","0.0712","0.0374","","","0.0844","0.1026","","","","","","1.021","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110506","9.6788","0.0006","10.9806","0.0007","16.3051","0.001","77.922","0.001","76.998","0.001","86.376","0.001","1650.85","0.18","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","","","- C48 H28 -","- C48 H28 -","- C96 H56 -","2","1","","Noach Treitel; Lior Eshdat; Tuvia Sheradsky; Patrick M. Donovan; Rik R. Tykwinski; Lawrence T. Scott; Henning Hopf; Mordecai Rabinovitz","Reductive Bergman-Type Cyclizations of Cross-Conjugated Enediynes to Fulvene and Fulvalene Anions: The Role of the Substituent","Journal of the American Chemical Society","2006","128","","4703","4709","10.1021/ja0566477","","","0.71073","MoKα","","0.0616","0.0517","","","0.1427","0.1501","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110507","22.2156","0.0014","14.587","0.0009","8.9384","0.0005","90","","90","","90","","2896.6","0.3","193","2","193","2","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- C34 H14 F12 -","- C34 H14 F12 -","- C136 H56 F48 -","4","0.5","","Noach Treitel; Lior Eshdat; Tuvia Sheradsky; Patrick M. Donovan; Rik R. Tykwinski; Lawrence T. Scott; Henning Hopf; Mordecai Rabinovitz","Reductive Bergman-Type Cyclizations of Cross-Conjugated Enediynes to Fulvene and Fulvalene Anions: The Role of the Substituent","Journal of the American Chemical Society","2006","128","","4703","4709","10.1021/ja0566477","","","0.71073","MoKα","","0.0786","0.0463","","","0.1053","0.1197","","","","","","1.023","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110508","11.9228","0.0005","12.6428","0.0006","14.7501","0.0007","73.718","0.002","77.317","0.003","77.917","0.003","2056.06","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H116 N16 Ni4 O20 -","- C72 H108 N16 Ni4 O20 -","- C72 H108 N16 Ni4 O20 -","1","0.5","","Myunghyun Paik Suh; Hoi Ri Moon; Eun Young Lee; Seung Yeon Jang","A Redox-Active Two-Dimensional Coordination Polymer: Preparation of Silver and Gold Nanoparticles and Crystal Dynamics on Guest Removal","Journal of the American Chemical Society","2006","128","","4710","4718","10.1021/ja056963l","","","0.71073","MoKα","","0.1717","0.0723","","","0.2042","0.2769","","","","","","1.054","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110509","12.2254","0.0009","12.3221","0.001","14.6164","0.001","67.236","0.004","73.364","0.004","77.756","0.004","1932.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H108 N16 Ni4 O16 -","- C72 H108 N16 Ni4 O16 -","- C72 H108 N16 Ni4 O16 -","1","0.5","","Myunghyun Paik Suh; Hoi Ri Moon; Eun Young Lee; Seung Yeon Jang","A Redox-Active Two-Dimensional Coordination Polymer: Preparation of Silver and Gold Nanoparticles and Crystal Dynamics on Guest Removal","Journal of the American Chemical Society","2006","128","","4710","4718","10.1021/ja056963l","","","0.71073","MoKα","","0.1338","0.0565","","","0.1437","0.2094","","","","","","1.049","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110510","16.1893","0.0012","16.1893","0.0012","56.712","0.01","90","","90","","120","","12872","3","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C76 H132 Fe4 O18 -","- C76 H132 Fe4 O18 -","- C456 H792 Fe24 O108 -","6","0.166667","","Stefania Accorsi; Anne-Laure Barra; Andrea Caneschi; Guillaume Chastanet; Andrea Cornia; Antonio C. Fabretti; Dante Gatteschi; Cecilia Mortalò; Emiliano Olivieri; Francesca Parenti; Patrick Rosa; Roberta Sessoli; Lorenzo Sorace; Wolfgang Wernsdorfer; Laura Zobbi","Tuning Anisotropy Barriers in a Family of Tetrairon(III) Single-Molecule Magnets with an S = 5 Ground State","Journal of the American Chemical Society","2006","128","","4742","4755","10.1021/ja0576381","","","0.71073","MoKα","","0.0619","0.037","","","0.0991","0.1089","","","","","","1.064","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110511","19.357","0.003","21.617","0.002","24.74","0.004","90","","109.05","0.01","90","","9785","2","203","2","203","2","","","","","","","synthesis","4","C 1 2/c 1","-C 2yc","15","Fe4Ph","","","- C90 H146 Fe4 O19 -","- C90 H146 Fe4 O19 -","- C360 H584 Fe16 O76 -","4","0.5","","Stefania Accorsi; Anne-Laure Barra; Andrea Caneschi; Guillaume Chastanet; Andrea Cornia; Antonio C. Fabretti; Dante Gatteschi; Cecilia Mortalò; Emiliano Olivieri; Francesca Parenti; Patrick Rosa; Roberta Sessoli; Lorenzo Sorace; Wolfgang Wernsdorfer; Laura Zobbi","Tuning Anisotropy Barriers in a Family of Tetrairon(III) Single-Molecule Magnets with an S = 5 Ground State","Journal of the American Chemical Society","2006","128","","4742","4755","10.1021/ja0576381","","","0.71073","MoKα","","0.0688","0.0523","","","0.1363","0.1507","","","","","","1.027","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110512","16.4332","0.0002","16.4332","0.0002","57.6317","0.0009","90","","90","","120","","13478.3","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C80 H144 Fe4 O18 -","- C80 H144 Fe4 O18 -","- C480 H864 Fe24 O108 -","6","0.333333","","Stefania Accorsi; Anne-Laure Barra; Andrea Caneschi; Guillaume Chastanet; Andrea Cornia; Antonio C. Fabretti; Dante Gatteschi; Cecilia Mortalò; Emiliano Olivieri; Francesca Parenti; Patrick Rosa; Roberta Sessoli; Lorenzo Sorace; Wolfgang Wernsdorfer; Laura Zobbi","Tuning Anisotropy Barriers in a Family of Tetrairon(III) Single-Molecule Magnets with an S = 5 Ground State","Journal of the American Chemical Society","2006","128","","4742","4755","10.1021/ja0576381","","","0.71073","MoKα","","0.0806","0.0648","","","0.1586","0.1759","","","","","","1.059","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110513","35.708","0.007","19.298","0.004","21.697","0.004","90","","122.34","0.03","90","","12632","6","293","2","293","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C32 H56 -","- C32 H56 -","- C512 H896 -","16","2","","Chao Wang; Jian Yuan; Guotao Li; Zitao Wang; Shiwei Zhang; Zhenfeng Xi","Metal-Mediated Efficient Synthesis, Structural Characterization, and Skeletal Rearrangement of Octasubstituted Semibullvalenes","Journal of the American Chemical Society","2006","128","","4564","4565","10.1021/ja0579208","","","0.71073","MoKα","","0.1496","0.0463","","","0.0849","0.0956","","","","","","0.891","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4110514","9.7357","0.0019","10.937","0.002","14.409","0.003","72.66","0.03","79.32","0.03","66.81","0.03","1342.2","0.6","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C36 H32 -","- C36 H32 -","- C72 H64 -","2","1","","Chao Wang; Jian Yuan; Guotao Li; Zitao Wang; Shiwei Zhang; Zhenfeng Xi","Metal-Mediated Efficient Synthesis, Structural Characterization, and Skeletal Rearrangement of Octasubstituted Semibullvalenes","Journal of the American Chemical Society","2006","128","","4564","4565","10.1021/ja0579208","","","0.71073","MoKα","","0.1228","0.0651","","","0.1753","0.1905","","","","","","1.199","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110515","33.6916","0.001","13.9812","0.001","31.1808","0.001","90","","117.261","0.01","90","","13056.3","1.6","295","","295","","","","","","","","?","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Fe N8 O P -","- C36 H26 Fe N8 O P -","- C576 H416 Fe16 N128 O16 P16 -","16","2","","Luminita Marilena Toma; Rodrigue Lescouëzec; Jorge Pasán; Catalina Ruiz-Pérez; Jacqueline Vaissermann; Joan Cano; Rosa Carrasco; Wolfgang Wernsdorfer; Francesc Lloret; Miguel Julve","[Fe(bpym)(CN)4]-: A New Building Block for Designing Single-Chain Magnets","Journal of the American Chemical Society","2006","128","","4842","4853","10.1021/ja058030v","","","0.71073","MoKα","","0.1308","0.0612","","0.0612","0.0578","0.0578","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110516","7.0795","0.0004","10.7418","0.0005","12.6242","0.0007","66.963","0.004","81.613","0.005","87.057","0.005","874","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Fe N8 O4 Zn0.5 -","- C12 H6 Fe N8 O4 Zn0.5 -","- C24 H12 Fe2 N16 O8 Zn -","2","1","","Luminita Marilena Toma; Rodrigue Lescouëzec; Jorge Pasán; Catalina Ruiz-Pérez; Jacqueline Vaissermann; Joan Cano; Rosa Carrasco; Wolfgang Wernsdorfer; Francesc Lloret; Miguel Julve","[Fe(bpym)(CN)4]-: A New Building Block for Designing Single-Chain Magnets","Journal of the American Chemical Society","2006","128","","4842","4853","10.1021/ja058030v","","","0.71073","MoKα","","0.0601","0.0356","","","0.0834","0.0897","","","","","","1.236","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110517","7.0778","0.0003","10.7244","0.0005","12.6516","0.0003","66.722","0.003","81.722","0.003","86.992","0.004","872.95","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Co0.5 Fe N8 O4 -","- C12 H6 Co0.5 Fe N8 O4 -","- C24 H12 Co Fe2 N16 O8 -","2","1","","Luminita Marilena Toma; Rodrigue Lescouëzec; Jorge Pasán; Catalina Ruiz-Pérez; Jacqueline Vaissermann; Joan Cano; Rosa Carrasco; Wolfgang Wernsdorfer; Francesc Lloret; Miguel Julve","[Fe(bpym)(CN)4]-: A New Building Block for Designing Single-Chain Magnets","Journal of the American Chemical Society","2006","128","","4842","4853","10.1021/ja058030v","","","0.71073","MoKα","","0.1074","0.0552","","","0.1129","0.1294","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110518","6.9927","0.0006","10.8763","0.0008","12.2831","0.0013","69.21","0.007","81.602","0.007","87.821","0.006","863.9","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Cu Fe N16 O8 -","- C12 H6 Cu0.5 Fe N8 O4 -","- C24 H12 Cu Fe2 N16 O8 -","2","1","","Luminita Marilena Toma; Rodrigue Lescouëzec; Jorge Pasán; Catalina Ruiz-Pérez; Jacqueline Vaissermann; Joan Cano; Rosa Carrasco; Wolfgang Wernsdorfer; Francesc Lloret; Miguel Julve","[Fe(bpym)(CN)4]-: A New Building Block for Designing Single-Chain Magnets","Journal of the American Chemical Society","2006","128","","4842","4853","10.1021/ja058030v","","","0.71073","MoKα","","0.1648","0.0668","","","0.1094","0.1335","","","","","","0.979","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110519","7.1305","0.0003","10.7429","0.0006","12.7093","0.0007","66.882","0.004","81.549","0.005","86.828","0.005","885.66","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Fe Mn N16 O8 -","- C12 H6 Fe Mn0.5 N8 O4 -","- C24 H12 Fe2 Mn N16 O8 -","2","1","","Luminita Marilena Toma; Rodrigue Lescouëzec; Jorge Pasán; Catalina Ruiz-Pérez; Jacqueline Vaissermann; Joan Cano; Rosa Carrasco; Wolfgang Wernsdorfer; Francesc Lloret; Miguel Julve","[Fe(bpym)(CN)4]-: A New Building Block for Designing Single-Chain Magnets","Journal of the American Chemical Society","2006","128","","4842","4853","10.1021/ja058030v","","","0.71073","MoKα","","0.0758","0.0415","","","0.0882","0.0992","","","","","","1.09","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110520","27.185","0.016","5.257","0.001","35.097","0.007","90","","112.327","0.011","90","","4640","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","ImPV","","","- C54 H68 N2 O6 -","- C54 H68 N2 O6 -","- C216 H272 N8 O24 -","4","0.5","","Olivier J. Dautel; Guillaume Wantz; Robert Almairac; David Flot; Lionel Hirsch; Jean-Pierre Lere-Porte; Jean-Paul Parneix; Françoise Serein-Spirau; Laurence Vignau; Joël J. E. Moreau","Nanostructuration of Phenylenevinylenediimide-Bridged Silsesquioxane: From Electroluminescent Molecular J-Aggregates to Photoresponsive Polymeric H-Aggregates","Journal of the American Chemical Society","2006","128","","4892","4901","10.1021/ja058680z","","","0.873","","","0.0804","0.0603","","","0.1447","0.1541","","","","","","1.009","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110521","18.88","0.005","10.012","0.002","16.449","0.003","90","","106.9","0.03","90","","2975","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-{(E)-2-[4-((E)-2-{1,3-dioxo-2-[3-(triethoxysilyl)propyl]-2,3-dihydro -1H-isoindol-5-yl}vinyl)-2,5-bis(octyloxy)phenyl]vinyl} -2-[3-(triethoxysilyl)propyl]-1H-isoindole-1,3(2H)-dione","","- C60 H88 N2 O12 Si2 -","- C60 H88 N2 O12 Si2 -","- C120 H176 N4 O24 Si4 -","2","0.5","","Olivier J. Dautel; Guillaume Wantz; Robert Almairac; David Flot; Lionel Hirsch; Jean-Pierre Lere-Porte; Jean-Paul Parneix; Françoise Serein-Spirau; Laurence Vignau; Joël J. E. Moreau","Nanostructuration of Phenylenevinylenediimide-Bridged Silsesquioxane: From Electroluminescent Molecular J-Aggregates to Photoresponsive Polymeric H-Aggregates","Journal of the American Chemical Society","2006","128","","4892","4901","10.1021/ja058680z","","","0.70935","","","0.0822","0.0689","","","0.1956","0.2073","","","","","","1.033","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110522","15.0434","0.0011","15.8902","0.0009","16.1425","0.0011","90","","117.096","0.001","90","","3435.2","0.4","143","1","143","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 Zn5 -","- C30 H50 Zn5 -","- C120 H200 Zn20 -","4","1","","Alfred Wooten; Patrick J. Carroll; Aaron G. Maestri; Patrick J. Walsh","Unprecedented Alkene Complex of Zinc(II): Structures and Bonding of Divinylzinc Complexes","Journal of the American Chemical Society","2006","128","","4624","4631","10.1021/ja058700x","","","0.71069","MoKα","","0.0819","0.0624","","","0.1456","0.1624","","","","","","1.07","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110523","19.7796","0.0013","9.9314","0.0005","19.5957","0.0013","90","","116.033","0.001","90","","3458.8","0.4","143","1","143","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H28 Zn2 -","- C16 H28 Zn2 -","- C128 H224 Zn16 -","8","4","","Alfred Wooten; Patrick J. Carroll; Aaron G. Maestri; Patrick J. Walsh","Unprecedented Alkene Complex of Zinc(II): Structures and Bonding of Divinylzinc Complexes","Journal of the American Chemical Society","2006","128","","4624","4631","10.1021/ja058700x","","","0.71069","MoKα","","0.076","0.0485","","","0.1245","0.1975","","","","","","0.98","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110524","7.9204","0.0007","10.0335","0.0009","10.7203","0.001","92.69","0.003","103.533","0.003","90.847","0.002","827.08","0.13","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 Zn -","- C18 H22 N2 Zn -","- C36 H44 N4 Zn2 -","2","1","","Alfred Wooten; Patrick J. Carroll; Aaron G. Maestri; Patrick J. Walsh","Unprecedented Alkene Complex of Zinc(II): Structures and Bonding of Divinylzinc Complexes","Journal of the American Chemical Society","2006","128","","4624","4631","10.1021/ja058700x","","","0.71069","MoKα","","0.028","0.0262","","","0.0822","0.0871","","","","","","1.147","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110525","7.6512","0.0005","10.1283","0.0005","10.8664","0.0006","67.896","0.006","73.652","0.006","78.542","0.007","744.56","0.08","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 Zn -","- C16 H18 N2 Zn -","- C32 H36 N4 Zn2 -","2","1","","Alfred Wooten; Patrick J. Carroll; Aaron G. Maestri; Patrick J. Walsh","Unprecedented Alkene Complex of Zinc(II): Structures and Bonding of Divinylzinc Complexes","Journal of the American Chemical Society","2006","128","","4624","4631","10.1021/ja058700x","","","0.71069","MoKα","","0.0248","0.022","","","0.0543","0.0554","","","","","","1.082","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110526","16.0491","0.0009","11.6123","0.0007","9.0954","0.0005","90","","102.39","0.002","90","","1655.6","0.16","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 N2 Zn -","- C14 H30 N2 Zn -","- C56 H120 N8 Zn4 -","4","1","","Alfred Wooten; Patrick J. Carroll; Aaron G. Maestri; Patrick J. Walsh","Unprecedented Alkene Complex of Zinc(II): Structures and Bonding of Divinylzinc Complexes","Journal of the American Chemical Society","2006","128","","4624","4631","10.1021/ja058700x","","","0.71069","MoKα","","0.043","0.039","","","0.1132","0.1154","","","","","","1.184","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110527","11.0092","0.0006","18.7121","0.0011","20.1675","0.0011","90","","105.528","0.001","90","","4003","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 F5 Mo N3 S -","- C42 H54 F5 Mo N3 S -","- C168 H216 F20 Mo4 N12 S4 -","4","1","","Arjun Mendiratta; Christopher C. Cummins; Olga P. Kryatova; Elena V. Rybak-Akimova; James E. McDonough; Carl D. Hoff","Benzonitrile Extrusion from Molybdenum(IV) Ketimide Complexes Obtained via Radical C-E (E = O, S, Se) Bond Formation: Toward a New Nitrogen Atom Transfer Reaction","Journal of the American Chemical Society","2006","128","","4881","4891","10.1021/ja0587796","","","0.71073","MoKα","","0.097","0.0764","","","0.1393","0.147","","","","","","1.201","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110528","10.8341","0.0011","19.982","0.002","20.569","0.002","89.669","0.002","81.701","0.002","75.221","0.002","4258.3","0.7","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H64 Mo N3 O2.5 -","- C45 H64 Mo N3 O2.5 -","- C180 H256 Mo4 N12 O10 -","4","2","","Arjun Mendiratta; Christopher C. Cummins; Olga P. Kryatova; Elena V. Rybak-Akimova; James E. McDonough; Carl D. Hoff","Benzonitrile Extrusion from Molybdenum(IV) Ketimide Complexes Obtained via Radical C-E (E = O, S, Se) Bond Formation: Toward a New Nitrogen Atom Transfer Reaction","Journal of the American Chemical Society","2006","128","","4881","4891","10.1021/ja0587796","","","0.71073","MoKα","","0.0483","0.0382","","","0.0947","0.1008","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110529","10.6395","0.001","12.8842","0.0014","18.843","0.002","70.329","0.004","74.155","0.003","76.599","0.003","2311.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","fluorinated thio ketimide","","","- C49 H59 F5 Mo N4 S -","- C49 H59 F5 Mo N4 S -","- C98 H118 F10 Mo2 N8 S2 -","2","1","","Arjun Mendiratta; Christopher C. Cummins; Olga P. Kryatova; Elena V. Rybak-Akimova; James E. McDonough; Carl D. Hoff","Benzonitrile Extrusion from Molybdenum(IV) Ketimide Complexes Obtained via Radical C-E (E = O, S, Se) Bond Formation: Toward a New Nitrogen Atom Transfer Reaction","Journal of the American Chemical Society","2006","128","","4881","4891","10.1021/ja0587796","","","0.71073","MoKα","","0.0455","0.0371","","","0.0865","0.0917","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110530","48.25","0.002","48.65","0.002","35.6515","0.0014","90","","131.386","0.002","90","","62788","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","COV-10CdS-FePAL","","","- C264 H244 Cd32 Fe N6 S52 -","- C246 Cd32 Fe0.5 N3 S52 -","- C1968 Cd256 Fe4 N24 S416 -","8","1","","Nanfeng Zheng; Haiwei Lu; Xianhui Bu; Pingyun Feng","Metal-Chelate Dye-Controlled Organization of Cd32S14(SPh)404- Nanoclusters into Three-Dimensional Molecular and Covalent Open Architecture","Journal of the American Chemical Society","2006","128","","4528","4529","10.1021/ja060006+","","","0.71073","MoKα","","0.0935","0.0628","","","0.2021","0.2307","","","","","","1.147","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110531","48.448","0.006","48.898","0.007","35.851","0.005","90","","131.502","0.003","90","","63608","15","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","COV-10CdS-RuPAL","","","- C264 H244 Cd32 N6 Ru S52 -","- C246 Cd32 N3 Ru0.943 S52 -","- C1968 Cd256 N24 Ru7.544 S416 -","8","1","","Nanfeng Zheng; Haiwei Lu; Xianhui Bu; Pingyun Feng","Metal-Chelate Dye-Controlled Organization of Cd32S14(SPh)404- Nanoclusters into Three-Dimensional Molecular and Covalent Open Architecture","Journal of the American Chemical Society","2006","128","","4528","4529","10.1021/ja060006+","","","0.71073","MoKα","","0.0946","0.0613","","","0.2052","0.2263","","","","","","1.045","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110532","46.374","0.002","51.581","0.002","53.407","0.002","90","","90","","90","","127750","9","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","COV-11CdS-FeBPy","","","- C258 H214 Cd32 Fe N6 S52 -","- C216 Cd32 Fe0.6295 S52 -","- C3456 Cd512 Fe10.072 S832 -","16","0.5","","Nanfeng Zheng; Haiwei Lu; Xianhui Bu; Pingyun Feng","Metal-Chelate Dye-Controlled Organization of Cd32S14(SPh)404- Nanoclusters into Three-Dimensional Molecular and Covalent Open Architecture","Journal of the American Chemical Society","2006","128","","4528","4529","10.1021/ja060006+","","","0.71073","MoKα","","0.142","0.0761","","","0.2607","0.3087","","","","","","1.152","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110533","20.9325","0.0004","46.3439","0.0009","34.2172","0.0007","90","","92.061","0.001","90","","33172.4","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","MOL-6CdS-FePAL","","","- C312 H248 Cd32 Fe2 N12 S54 -","- C274 Cd32 Fe2 N12 S54 -","- C1096 Cd128 Fe8 N48 S216 -","4","1","","Nanfeng Zheng; Haiwei Lu; Xianhui Bu; Pingyun Feng","Metal-Chelate Dye-Controlled Organization of Cd32S14(SPh)404- Nanoclusters into Three-Dimensional Molecular and Covalent Open Architecture","Journal of the American Chemical Society","2006","128","","4528","4529","10.1021/ja060006+","","","0.71073","MoKα","","0.1699","0.0967","","","0.2906","0.3599","","","","","","1.041","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110534","21.5681","0.0009","22.3296","0.0009","43.8461","0.0019","76.238","0.002","78.705","0.002","84.428","0.002","20084.8","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","MOL-7CdS-FeTMPAL","","","- C370 Cd32 Fe2 N15 S54 -","- C330 Cd32 Fe2 N18 S54 -","- C660 Cd64 Fe4 N36 S108 -","2","1","","Nanfeng Zheng; Haiwei Lu; Xianhui Bu; Pingyun Feng","Metal-Chelate Dye-Controlled Organization of Cd32S14(SPh)404- Nanoclusters into Three-Dimensional Molecular and Covalent Open Architecture","Journal of the American Chemical Society","2006","128","","4528","4529","10.1021/ja060006+","","","0.71073","MoKα","","0.1569","0.0683","","","0.2121","0.2389","","","","","","1.025","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110535","12.214","0.005","15.812","0.007","16.782","0.007","90","","98.318","0.006","90","","3207","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 F3 P2 Pd -","- C33 H29 F3 P2 Pd -","- C132 H116 F12 P8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Unexpected H2O-Induced Ar-X Activation with Trifluoromethylpalladium(II) Aryls","Journal of the American Chemical Society","2006","128","","4632","4641","10.1021/ja0602389","","","0.71073","MoKα","","0.0292","0.0245","","","0.0587","0.0609","","","","","","1.075","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110536","9.215","0.002","26.278","0.007","12.097","0.003","90","","101.897","0.004","90","","2866.4","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 Cl1.5 F3 P2 Pd -","- C30 H24 Cl1.5 F3 P2 Pd -","- C120 H96 Cl6 F12 P8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Unexpected H2O-Induced Ar-X Activation with Trifluoromethylpalladium(II) Aryls","Journal of the American Chemical Society","2006","128","","4632","4641","10.1021/ja0602389","","","0.71069","MoKα","","0.0465","0.0354","","","0.0865","0.0943","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110537","11.265","0.004","22.727","0.009","13.333","0.005","90","","111.946","0.007","90","","3166","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 F3 P2 Pd -","- C34 H31 F3 P2 Pd -","- C136 H124 F12 P8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Unexpected H2O-Induced Ar-X Activation with Trifluoromethylpalladium(II) Aryls","Journal of the American Chemical Society","2006","128","","4632","4641","10.1021/ja0602389","","","0.71073","MoKα","","0.0308","0.027","","","0.0731","0.0755","","","","","","1.06","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110538","8.625","0.004","13.616","0.006","22.834","0.01","90","","90","","90","","2682","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 F3 I P2 Pd -","- C26.8601 H24 F2.5803 I P2 Pd -","- C107.44 H96 F10.3212 I4 P8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Unexpected H2O-Induced Ar-X Activation with Trifluoromethylpalladium(II) Aryls","Journal of the American Chemical Society","2006","128","","4632","4641","10.1021/ja0602389","","","0.71073","MoKα","","0.03","0.0284","","","0.0808","0.0817","","","","","","1.091","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110539","8.361","0.003","16.466","0.006","11.389","0.004","90","","110.163","0.005","90","","1471.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 F3 N2 Pd -","- C13 H21 F3 N2 Pd -","- C52 H84 F12 N8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Unexpected H2O-Induced Ar-X Activation with Trifluoromethylpalladium(II) Aryls","Journal of the American Chemical Society","2006","128","","4632","4641","10.1021/ja0602389","","","0.71073","MoKα","","0.0193","0.0183","","","0.0467","0.0473","","","","","","1.068","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110540","15.702","0.005","8.55","0.003","11.809","0.003","90","","94.882","0.005","90","","1579.6","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 F6 N2 Pd -","- C12 H24 F6 N2 Pd -","- C48 H96 F24 N8 Pd4 -","4","0.5","","Vladimir V. Grushin; William J. Marshall","Unexpected H2O-Induced Ar-X Activation with Trifluoromethylpalladium(II) Aryls","Journal of the American Chemical Society","2006","128","","4632","4641","10.1021/ja0602389","","","0.71073","MoKα","","0.014","0.0138","","","0.0354","0.0355","","","","","","1.066","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110541","8.0634","0.0006","14.7398","0.0012","19.8663","0.0014","90","","110.509","0.003","90","","2211.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H34 F6 P2 Pd -","- C17 H34 F6 P2 Pd -","- C68 H136 F24 P8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Unexpected H2O-Induced Ar-X Activation with Trifluoromethylpalladium(II) Aryls","Journal of the American Chemical Society","2006","128","","4632","4641","10.1021/ja0602389","","","0.71073","MoKα","","0.0555","0.0427","","","0.1047","0.1132","","","","","","1.037","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110542","41.609","0.008","10.381","0.002","15.233","0.003","90","","104.47","0.03","90","","6371","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H51 Cl P2 Pd -","- C27 H51 Cl P2 Pd -","- C216 H408 Cl8 P16 Pd8 -","8","1","","Vladimir V. Grushin; William J. Marshall","Unexpected H2O-Induced Ar-X Activation with Trifluoromethylpalladium(II) Aryls","Journal of the American Chemical Society","2006","128","","4632","4641","10.1021/ja0602389","","","0.71069","MoKα","","0.0733","0.0565","","","0.1386","0.1499","","","","","","1.175","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110543","9.6235","0.0019","13.77","0.003","21.883","0.004","90","","90","","90","","2899.8","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 Cl O P2 Pd -","- C31.19 H35 Cl0.961 O P2 Pd -","- C124.76 H140 Cl3.844 O4 P8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Unexpected H2O-Induced Ar-X Activation with Trifluoromethylpalladium(II) Aryls","Journal of the American Chemical Society","2006","128","","4632","4641","10.1021/ja0602389","","","0.71073","MoKα","","0.0417","0.0377","","","0.0829","0.0845","","","","","","1.025","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110544","21.321","0.003","21.321","0.003","23.846","0.004","90","","90","","120","","9388","2","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C56 H72 Cl6 N6 O9 -","- C56 H72 Cl6 N6 O9 -","- C336 H432 Cl36 N36 O54 -","6","1","","Margaret A. Schmitt; Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman","New Helical Foldamers: Heterogeneous Backbones with 1:2 and 2:1 α:β-Amino Acid Residue Patterns","Journal of the American Chemical Society","2006","128","","4538","4539","10.1021/ja060281w","","","0.71073","MoKα","","0.1928","0.1581","","","0.374","0.3981","","","","","","1.389","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110545","15.5904","0.0009","23.5849","0.0014","28.7199","0.0017","101.915","0.0009","93.0456","0.0008","103.457","0.0008","9992","1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C47.93 H73.01 Cl5.79 N7 O10.04 -","- C47.9286 H72.9286 Cl5.78571 N7 O10.0429 -","- C335.5 H510.5 Cl40.5 N49 O70.3 -","7","7","","Margaret A. Schmitt; Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman","New Helical Foldamers: Heterogeneous Backbones with 1:2 and 2:1 α:β-Amino Acid Residue Patterns","Journal of the American Chemical Society","2006","128","","4538","4539","10.1021/ja060281w","","","0.71073","Mo-Kα","","0.0721","0.0643","","","0.1692","0.1753","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4110546","31.7037","0.0011","10.2735","0.0004","19.8389","0.0007","90","","100.942","0.003","90","","6344.2","0.4","223","","223","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C34 H38 N2 O3 S Si -","- C34 H38 N2 O3 S Si -","- C272 H304 N16 O24 S8 Si8 -","8","2","","Ken Tanaka; Kenzo Takeishi; Keiichi Noguchi","Enantioselective Synthesis of Axially Chiral Anilides through Rhodium-Catalyzed [2+2+2] Cycloaddition of 1,6-Diynes with Trimethylsilylynamides","Journal of the American Chemical Society","2006","128","","4586","4587","10.1021/ja060348f","","","1.5418","CuKα","","0.0449","0.0378","","","0.102","0.1079","","","","","","1.07","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110547","8.822","0.002","10.189","0.002","12.997","0.002","104.96","0.03","98.34","0.03","108.47","0.03","1037.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","anne","","","- C23 H30 O2 S -","- C23 H30 O2 S -","- C46 H60 O4 S2 -","2","1","","Genia Sklute; Ilan Marek","New Multicomponent Approach for the Creation of Chiral Quaternary Centers in the Carbonyl Allylation Reactions","Journal of the American Chemical Society","2006","128","","4642","4649","10.1021/ja060498q","","","0.7107","MoKα","","0.1408","0.0687","","","0.1693","0.2108","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110548","11.105","0.002","16.363","0.003","12","0.002","90","","114.12","0.03","90","","1990.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Marek-5 Dvora","","","- C22 H28 O2 S -","- C22 H28 O2 S -","- C88 H112 O8 S4 -","4","1","","Genia Sklute; Ilan Marek","New Multicomponent Approach for the Creation of Chiral Quaternary Centers in the Carbonyl Allylation Reactions","Journal of the American Chemical Society","2006","128","","4642","4649","10.1021/ja060498q","","","0.71073","MoKα","","0.0997","0.0554","","","0.1266","0.1383","","","","","","0.875","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110549","7.876","0.0004","6.483","0.0003","15.914","0.0009","90","","98.801","0.003","90","","803","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H20 O3 S -","- C17 H20 O3 S -","- C34 H40 O6 S2 -","2","1","","Genia Sklute; Ilan Marek","New Multicomponent Approach for the Creation of Chiral Quaternary Centers in the Carbonyl Allylation Reactions","Journal of the American Chemical Society","2006","128","","4642","4649","10.1021/ja060498q","","","0.71073","MoKα","","0.0698","0.0339","","","0.0667","0.0707","","","","","","0.823","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110550","13.232","0.0004","9.003","0.0003","19.634","0.0007","90","","95.81","0.0012","90","","2326.94","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H34 O2 S -","- C25 H33.178 O2 S -","- C100 H132.712 O8 S4 -","4","2","","Genia Sklute; Ilan Marek","New Multicomponent Approach for the Creation of Chiral Quaternary Centers in the Carbonyl Allylation Reactions","Journal of the American Chemical Society","2006","128","","4642","4649","10.1021/ja060498q","","","0.71073","MoKα","","0.1218","0.0571","","","0.1652","0.1815","","","","","","1.138","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110551","18.377","0.002","15.1715","0.0017","36.589","0.004","90","","103.695","0.002","90","","9911.2","1.9","100","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 F3 N O5 Os P S -","- C21 H26.25 F3 N O5 Os P S -","- C336 H420 F48 N16 O80 Os16 P16 S16 -","16","4","","Miguel A. Esteruelas; Francisco J. Fernández-Alvarez; Montserrat Oliván; Enrique Oñate","C-H Bond Activation and Subsequent C-C Bond Formation Promoted by Osmium: 2-Vinylpyridine-Acetylene Couplings","Journal of the American Chemical Society","2006","128","","4596","4597","10.1021/ja060901t","","","0.71073","MoKα","","0.0584","0.0387","","","0.0835","0.0912","","","","","","0.865","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110552","10.5859","0.0016","11.2148","0.0017","12.3287","0.0018","93.636","0.002","98.066","0.002","111.55","0.002","1337.3","0.3","100","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H34 F3 N2 O3 Os P S -","- C24 H34 F3 N2 O3 Os P S -","- C48 H68 F6 N4 O6 Os2 P2 S2 -","2","1","","Miguel A. Esteruelas; Francisco J. Fernández-Alvarez; Montserrat Oliván; Enrique Oñate","C-H Bond Activation and Subsequent C-C Bond Formation Promoted by Osmium: 2-Vinylpyridine-Acetylene Couplings","Journal of the American Chemical Society","2006","128","","4596","4597","10.1021/ja060901t","","","0.71073","MoKα","","0.0223","0.0199","","","0.0373","0.0378","","","","","","0.952","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110553","11.4068","0.0018","14.961","0.002","15.509","0.003","91.093","0.003","108.341","0.002","109.829","0.003","2339.7","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52.5 H61 B Cl3 N2 Os P -","- C52.5 H58 B Cl3 N2 Os P -","- C105 H116 B2 Cl6 N4 Os2 P2 -","2","1","","Miguel A. Esteruelas; Francisco J. Fernández-Alvarez; Montserrat Oliván; Enrique Oñate","C-H Bond Activation and Subsequent C-C Bond Formation Promoted by Osmium: 2-Vinylpyridine-Acetylene Couplings","Journal of the American Chemical Society","2006","128","","4596","4597","10.1021/ja060901t","","","0.71073","MoKα","","0.0399","0.0322","","","0.0622","0.0638","","","","","","0.943","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110554","11.079","0.0005","12.0148","0.0005","14.8266","0.0007","85.691","0.002","70.108","0.002","66.546","0.002","1698.35","0.14","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H36 Cl2 N7 O9 Ru -","- C29 H36 Cl2 N7 O9 Ru -","- C58 H72 Cl4 N14 O18 Ru2 -","2","1","","Ester Masllorens; Montserrat Rodríguez; Isabel Romero; Anna Roglans; Teodor Parella; Jordi Benet-Buchholz; Macarena Poyatos; Antoni Llobet","Can the Disproportion of Oxidation State III Be Favored in RuII-OH2/RuIVO Systems?","Journal of the American Chemical Society","2006","128","","5306","5307","10.1021/ja057733+","","","0.71073","MoKα","","0.1287","0.0634","","","0.1365","0.1574","","","","","","0.881","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110555","11.993","0.003","29.271","0.006","13.298","0.003","90","","114.615","0.005","90","","4244","1.7","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C31.25 H40.5 Br Cl0.5 F6 N8 P Ru -","- C31.25 H40.5 Br Cl0.5 F6 N8 P Ru -","- C125 H162 Br4 Cl2 F24 N32 P4 Ru4 -","4","2","","Ester Masllorens; Montserrat Rodríguez; Isabel Romero; Anna Roglans; Teodor Parella; Jordi Benet-Buchholz; Macarena Poyatos; Antoni Llobet","Can the Disproportion of Oxidation State III Be Favored in RuII-OH2/RuIVO Systems?","Journal of the American Chemical Society","2006","128","","5306","5307","10.1021/ja057733+","","","0.71073","MoKα","","0.1879","0.114","","","0.2833","0.336","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110556","6.126","0.002","7.208","0.003","22.883","0.008","90","","90","","90","","1010.4","0.6","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C48 H56 O8 -","4","1","","Xiaozhong Liu; Joseph M. Fox","Enantioselective, Facially Selective Carbomagnesation of Cyclopropenes","Journal of the American Chemical Society","2006","128","","5600","5601","10.1021/ja058101q","","","0.71073","MoKα","","0.0453","0.0421","","","0.105","0.1075","","","","","","1.042","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110557","5.824","0.0006","7.2935","0.0012","25.316","0.007","90","","96.23","0.02","90","","1069","0.4","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H18 S4 -","- C28 H18 S4 -","- C56 H36 S8 -","2","1","","Myung-Han Yoon; Antonio Facchetti; Charlotte E. Stern; Tobin J. Marks","Fluorocarbon-Modified Organic Semiconductors: Molecular Architecture, Electronic, and Crystal Structure Tuning of Arene- versus Fluoroarene-Thiophene Oligomer Thin-Film Properties","Journal of the American Chemical Society","2006","128","","5792","5801","10.1021/ja060016a","","","0.71073","MoKα","","0.036","0.0353","","","0.0979","0.0989","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110558","6.3854","0.0015","7.6862","0.0018","12.502","0.003","89.412","0.004","78.66","0.004","80.76","0.004","593.7","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H8 F10 S4 -","- C28 H8 F10 S4 -","- C28 H8 F10 S4 -","1","0.5","","Myung-Han Yoon; Antonio Facchetti; Charlotte E. Stern; Tobin J. Marks","Fluorocarbon-Modified Organic Semiconductors: Molecular Architecture, Electronic, and Crystal Structure Tuning of Arene- versus Fluoroarene-Thiophene Oligomer Thin-Film Properties","Journal of the American Chemical Society","2006","128","","5792","5801","10.1021/ja060016a","","","0.71073","MoKα","","0.1096","0.0659","","","0.1426","0.1597","","","","","","0.939","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110559","6.258","0.002","5.0431","0.0014","36.618","0.011","90","","90.71","0.03","90","","1155.6","0.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H10 F8 S4 -","- C28 H10 F8 S4 -","- C56 H20 F16 S8 -","2","0.5","","Myung-Han Yoon; Antonio Facchetti; Charlotte E. Stern; Tobin J. Marks","Fluorocarbon-Modified Organic Semiconductors: Molecular Architecture, Electronic, and Crystal Structure Tuning of Arene- versus Fluoroarene-Thiophene Oligomer Thin-Film Properties","Journal of the American Chemical Society","2006","128","","5792","5801","10.1021/ja060016a","","","0.71073","MoKα","","0.1028","0.086","","","0.2662","0.2722","","","","","","1.293","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110560","25.754","0.005","7.625","0.002","11.842","0.002","90","","90","","90","","2325.5","0.9","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28 H10 F8 S4 -","- C28 H10 F8 S4 -","- C112 H40 F32 S16 -","4","0.5","","Myung-Han Yoon; Antonio Facchetti; Charlotte E. Stern; Tobin J. Marks","Fluorocarbon-Modified Organic Semiconductors: Molecular Architecture, Electronic, and Crystal Structure Tuning of Arene- versus Fluoroarene-Thiophene Oligomer Thin-Film Properties","Journal of the American Chemical Society","2006","128","","5792","5801","10.1021/ja060016a","","","0.71073","MoKα","","0.0694","0.0482","","","0.1129","0.1242","","","","","","1.063","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110561","12.295","0.004","6.06","0.002","28.043","0.01","90","","90.14","0.03","90","","2089.4","1.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H6 F10 S3 -","- C24 H6 F10 S3 -","- C96 H24 F40 S12 -","4","1","","Myung-Han Yoon; Antonio Facchetti; Charlotte E. Stern; Tobin J. Marks","Fluorocarbon-Modified Organic Semiconductors: Molecular Architecture, Electronic, and Crystal Structure Tuning of Arene- versus Fluoroarene-Thiophene Oligomer Thin-Film Properties","Journal of the American Chemical Society","2006","128","","5792","5801","10.1021/ja060016a","","","0.71073","MoKα","","0.0684","0.0394","","","0.081","0.0905","","","","","","0.95","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110562","7.106","0.003","13.015","0.003","37.427","0.016","90","","90","","90","","3461","2","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H4 F10 S2 -","- C20 H4 F10 S2 -","- C160 H32 F80 S16 -","8","1","","Myung-Han Yoon; Antonio Facchetti; Charlotte E. Stern; Tobin J. Marks","Fluorocarbon-Modified Organic Semiconductors: Molecular Architecture, Electronic, and Crystal Structure Tuning of Arene- versus Fluoroarene-Thiophene Oligomer Thin-Film Properties","Journal of the American Chemical Society","2006","128","","5792","5801","10.1021/ja060016a","","","0.71073","MoKα","","0.1158","0.0501","","","0.1204","0.1583","","","","","","0.951","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110563","7.2771","0.0016","12.8839","0.0015","29.459","0.005","90","","90","","90","","2762","0.8","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H2 F10 S -","- C16 H2 F10 S -","- C128 H16 F80 S8 -","8","1","","Myung-Han Yoon; Antonio Facchetti; Charlotte E. Stern; Tobin J. Marks","Fluorocarbon-Modified Organic Semiconductors: Molecular Architecture, Electronic, and Crystal Structure Tuning of Arene- versus Fluoroarene-Thiophene Oligomer Thin-Film Properties","Journal of the American Chemical Society","2006","128","","5792","5801","10.1021/ja060016a","","","0.71073","MoKα","","0.0623","0.0388","","","0.0918","0.104","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110564","11.334","0.002","15.006","0.003","11.748","0.002","90","","98.14","0.005","90","","1977.9","0.6","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H44 O7 P2 -","- C44 H44 O7 P2 -","- C88 H88 O14 P4 -","2","1","","Liqin Qiu; Fuk Yee Kwong; Jing Wu; Wai Har Lam; Shusun Chan; Wing-Yiu Yu; Yue-Ming Li; Rongwei Guo; Zhongyuan Zhou; Albert S. C. Chan","A New Class of Versatile Chiral-Bridged Atropisomeric Diphosphine Ligands: Remarkably Efficient Ligand Syntheses and Their Applications in Highly Enantioselective Hydrogenation Reactions","Journal of the American Chemical Society","2006","128","","5955","5965","10.1021/ja0602694","","","0.71073","MoKα","","0.0975","0.0662","","","0.1719","0.1898","","","","","","1.035","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110565","10.9522","0.0013","12.8449","0.0015","13.4477","0.0015","85.608","0.003","84.918","0.003","69.34","0.002","1761.1","0.4","294","2","294","2","","","","","","","","4","P 1","P 1","1","","","","- C41 H36 O4 P2 -","- C41 H36 O4 P2 -","- C82 H72 O8 P4 -","2","2","","Liqin Qiu; Fuk Yee Kwong; Jing Wu; Wai Har Lam; Shusun Chan; Wing-Yiu Yu; Yue-Ming Li; Rongwei Guo; Zhongyuan Zhou; Albert S. C. Chan","A New Class of Versatile Chiral-Bridged Atropisomeric Diphosphine Ligands: Remarkably Efficient Ligand Syntheses and Their Applications in Highly Enantioselective Hydrogenation Reactions","Journal of the American Chemical Society","2006","128","","5955","5965","10.1021/ja0602694","","","0.71073","MoKα","","0.1332","0.0612","","","0.1567","0.1776","","","","","","1.023","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110566","11.7451","0.0016","17.359","0.003","19.76","0.003","90","","90","","90","","4028.7","1.1","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H46 O6 P2 -","- C46 H46 O6 P2 -","- C184 H184 O24 P8 -","4","1","","Liqin Qiu; Fuk Yee Kwong; Jing Wu; Wai Har Lam; Shusun Chan; Wing-Yiu Yu; Yue-Ming Li; Rongwei Guo; Zhongyuan Zhou; Albert S. C. Chan","A New Class of Versatile Chiral-Bridged Atropisomeric Diphosphine Ligands: Remarkably Efficient Ligand Syntheses and Their Applications in Highly Enantioselective Hydrogenation Reactions","Journal of the American Chemical Society","2006","128","","5955","5965","10.1021/ja0602694","","","0.71073","MoKα","","0.1376","0.0516","","","0.0731","0.0836","","","","","","1.005","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110567","16.3263","0.001","16.3263","0.001","32.4","0.004","90","","90","","120","","7479.1","1.1","150","2","150","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","Badjic 1424","","","- C61 H40 Cl3 N3 O6 -","- C65.5 H39 Cl3.01 N3 O6 -","- C393 H234 Cl18.06 N18 O36 -","6","0.333333","","Veselin Maslak; Zhiqing Yan; Shijing Xia; Judith Gallucci; Christopher M. Hadad; Jovica D. Badjić","Design, Synthesis, and Conformational Dynamics of a Gated Molecular Basket","Journal of the American Chemical Society","2006","128","","5887","5894","10.1021/ja060534l","","x-ray","0.71073","MoKα","","0.1184","0.1019","","","0.2801","0.2976","","","","","","1.068","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110568","8.221","0.0016","12.674","0.003","17.096","0.003","90","","97.73","0.03","90","","1765.1","0.6","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ag2(bptz)2(CH3CN)2][PF6]2","","","- C28 H22 Ag2 F12 N14 P2 -","- C28 H22 Ag2 F11.976 N14 P1.996 -","- C56 H44 Ag4 F23.952 N28 P3.992 -","2","0.5","","Brandi L. Schottel; Helen T. Chifotides; Mikhail Shatruk; Abdellatif Chouai; Lisa M. Pérez; John Bacsa; Kim R. Dunbar","Anion-π Interactions as Controlling Elements in Self-Assembly Reactions of Ag(I) Complexes with π-Acidic Aromatic Rings","Journal of the American Chemical Society","2006","128","","5895","5912","10.1021/ja0606273","","","0.71073","MoKα","","0.1108","0.0776","","","0.1897","0.2094","","","","","","1.05","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110569","8.288","0.004","12.736","0.007","17.504","0.009","90","","98.529","0.009","90","","1827.2","1.6","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ag2(bptz)2(CH3CN)2][AsF6]2","","","- C28 H22 Ag2 As2 F12 N14 -","- C28 H22 Ag2 As2 F12 N14 -","- C56 H44 Ag4 As4 F24 N28 -","2","0.5","","Brandi L. Schottel; Helen T. Chifotides; Mikhail Shatruk; Abdellatif Chouai; Lisa M. Pérez; John Bacsa; Kim R. Dunbar","Anion-π Interactions as Controlling Elements in Self-Assembly Reactions of Ag(I) Complexes with π-Acidic Aromatic Rings","Journal of the American Chemical Society","2006","128","","5895","5912","10.1021/ja0606273","","","0.71073","MoKα","","0.0748","0.0512","","","0.0854","0.0922","","","","","","1.079","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110570","12.363","0.006","12.363","0.006","49.13","0.02","90","","90","","120","","6503","5","110","2","110","2","","","","","","","","6","R -3 :H","-R 3","148","[Ag2(bptz)3][SbF6]2","","","- C36 H24 Ag2 F12 N18 Sb2 -","- C36 H24 Ag2 F12 N18 Sb2 -","- C216 H144 Ag12 F72 N108 Sb12 -","6","0.333333","","Brandi L. Schottel; Helen T. Chifotides; Mikhail Shatruk; Abdellatif Chouai; Lisa M. Pérez; John Bacsa; Kim R. Dunbar","Anion-π Interactions as Controlling Elements in Self-Assembly Reactions of Ag(I) Complexes with π-Acidic Aromatic Rings","Journal of the American Chemical Society","2006","128","","5895","5912","10.1021/ja0606273","","","0.71073","MoKα","","0.0366","0.0304","","","0.0715","0.0743","","","","","","1.047","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110571","23.316","0.003","14.2368","0.0018","25.069","0.003","90","","115.972","0.003","90","","7481.1","1.6","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ag4(bppn)4][PF6]4.4CH3NO2","","","- C60 H52 Ag4 F24 N20 O8 P4 -","- C60 H52 Ag4 F24 N20 O8 P4 -","- C240 H208 Ag16 F96 N80 O32 P16 -","4","0.5","","Brandi L. Schottel; Helen T. Chifotides; Mikhail Shatruk; Abdellatif Chouai; Lisa M. Pérez; John Bacsa; Kim R. Dunbar","Anion-π Interactions as Controlling Elements in Self-Assembly Reactions of Ag(I) Complexes with π-Acidic Aromatic Rings","Journal of the American Chemical Society","2006","128","","5895","5912","10.1021/ja0606273","","","0.71073","MoKα","","0.1231","0.0702","","","0.0921","0.1038","","","","","","1.108","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110572","7.284","0.0015","7.687","0.0015","7.827","0.0016","65.05","0.03","74.8","0.03","86.85","0.03","382.67","0.18","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","{[Ag(bptz)][PF6]}n","","- C12 H8 Ag F6 N6 P -","- C12 H8 Ag F6 N6 P -","- C12 H8 Ag F6 N6 P -","1","0.5","","Brandi L. Schottel; Helen T. Chifotides; Mikhail Shatruk; Abdellatif Chouai; Lisa M. Pérez; John Bacsa; Kim R. Dunbar","Anion-π Interactions as Controlling Elements in Self-Assembly Reactions of Ag(I) Complexes with π-Acidic Aromatic Rings","Journal of the American Chemical Society","2006","128","","5895","5912","10.1021/ja0606273","","","0.71073","MoKα","","0.0796","0.0641","","","0.1415","0.148","","","","","","1.069","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110573","22.879","0.007","25.283","0.007","8.125","0.002","90","","90.353","0.006","90","","4700","2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ag2(bptz)3][AsF6]2\/Y2CH3CN,(4)\/Y2CH3CN","","","- C40 H30 Ag2 As2 F12 N20 -","- C40 H30 Ag2 As2 F12 N20 -","- C160 H120 Ag8 As8 F48 N80 -","4","1","","Brandi L. Schottel; Helen T. Chifotides; Mikhail Shatruk; Abdellatif Chouai; Lisa M. Pérez; John Bacsa; Kim R. Dunbar","Anion-π Interactions as Controlling Elements in Self-Assembly Reactions of Ag(I) Complexes with π-Acidic Aromatic Rings","Journal of the American Chemical Society","2006","128","","5895","5912","10.1021/ja0606273","","","0.71073","MoKα","","0.0449","0.0349","","","0.077","0.0806","","","","","","1.088","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110574","25.673","0.009","8.201","0.003","23.108","0.01","90","","90","","90","","4865","3","110","2","110","2","","","","","","","","6","P b c n","-P 2n 2ab","60","[Ag2(bptz)3][SbF6]2\/Y2CH3CN","","","- C40 H30 Ag2 F12 N20 Sb2 -","- C39.98 H30 Ag2 F12 N20 Sb2 -","- C159.92 H120 Ag8 F48 N80 Sb8 -","4","0.5","","Brandi L. Schottel; Helen T. Chifotides; Mikhail Shatruk; Abdellatif Chouai; Lisa M. Pérez; John Bacsa; Kim R. Dunbar","Anion-π Interactions as Controlling Elements in Self-Assembly Reactions of Ag(I) Complexes with π-Acidic Aromatic Rings","Journal of the American Chemical Society","2006","128","","5895","5912","10.1021/ja0606273","","","0.71073","MoKα","","0.2145","0.0996","","","0.1839","0.2281","","","","","","1.019","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110575","23.595","0.005","14.62","0.003","25.322","0.005","90","","116.38","0.03","90","","7825","3","111","2","111","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ag4(bppn)4][SbF6]4\/Y4CH3NO2","","","- C60 H52 Ag4 F24 N20 O8 Sb4 -","- C60 H52 Ag4 F24 N20 O8 Sb4 -","- C240 H208 Ag16 F96 N80 O32 Sb16 -","4","0.5","","Brandi L. Schottel; Helen T. Chifotides; Mikhail Shatruk; Abdellatif Chouai; Lisa M. Pérez; John Bacsa; Kim R. Dunbar","Anion-π Interactions as Controlling Elements in Self-Assembly Reactions of Ag(I) Complexes with π-Acidic Aromatic Rings","Journal of the American Chemical Society","2006","128","","5895","5912","10.1021/ja0606273","","","0.71073","MoKα","","0.0609","0.0489","","","0.1149","0.1211","","","","","","1.06","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110576","15.655","0.007","28.374","0.013","16.335","0.01","90","","94.79","0.03","90","","7231","6","383","2","383","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ag4(bppn)4][BF4]4\/Y3CH3NO2\/YC6H6","","","- C65 H55 Ag4 B4 F16 N19 O6 -","- C65 H55 Ag4 B4 F16 N19 O6 -","- C260 H220 Ag16 B16 F64 N76 O24 -","4","1","","Brandi L. Schottel; Helen T. Chifotides; Mikhail Shatruk; Abdellatif Chouai; Lisa M. Pérez; John Bacsa; Kim R. Dunbar","Anion-π Interactions as Controlling Elements in Self-Assembly Reactions of Ag(I) Complexes with π-Acidic Aromatic Rings","Journal of the American Chemical Society","2006","128","","5895","5912","10.1021/ja0606273","","","0.71073","MoKα","","0.1308","0.0485","","","0.1124","0.1582","","","","","","1.046","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110577","11.491","0.0003","14.915","0.0007","15.127","0.0008","75.323","0.0016","79.813","0.0014","74.796","0.003","2403.22","0.18","130","2","130","2","","","","","","","","4","P -1","-P 1","2","IJR-I-97","IJR-I-97","","- C60 H80 N2 O2 -","- C28.5 H36.5 N O -","- C114 H146 N4 O4 -","4","2","","Ian J. Rhile; Todd F. Markle; Hirotaka Nagao; Antonio G. DiPasquale; Oanh P. Lam; Mark A. Lockwood; Katrina Rotter; James M. Mayer","Concerted Proton-Electron Transfer in the Oxidation of Hydrogen-Bonded Phenols","Journal of the American Chemical Society","2006","128","","6075","6088","10.1021/ja054167+","","","0.71073","MoKα","","0.1067","0.0585","","","0.1233","0.1414","","","","","","1.003","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110578","9.474","0.0005","10.58","0.0005","14.734","0.0011","87.108","0.0019","84.814","0.002","77.856","0.0018","1437.15","0.15","130","2","130","2","","","","","","","","4","P -1","-P 1","2","oplDiMeO111","oplDiMeO111","","- C32 H40 N2 O4 -","- C32 H40 N2 O4 -","- C64 H80 N4 O8 -","2","1","","Ian J. Rhile; Todd F. Markle; Hirotaka Nagao; Antonio G. DiPasquale; Oanh P. Lam; Mark A. Lockwood; Katrina Rotter; James M. Mayer","Concerted Proton-Electron Transfer in the Oxidation of Hydrogen-Bonded Phenols","Journal of the American Chemical Society","2006","128","","6075","6088","10.1021/ja054167+","","","0.71073","MoKα","","0.0876","0.0555","","","0.1319","0.1483","","","","","","0.999","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110579","18.492","0.004","10.077","0.002","27.86","0.006","90","","91.86","0.03","90","","5188.8","1.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","IR160","IR160","","- C19 H25 N O -","- C19 H25 N O -","- C228 H300 N12 O12 -","12","3","","Ian J. Rhile; Todd F. Markle; Hirotaka Nagao; Antonio G. DiPasquale; Oanh P. Lam; Mark A. Lockwood; Katrina Rotter; James M. Mayer","Concerted Proton-Electron Transfer in the Oxidation of Hydrogen-Bonded Phenols","Journal of the American Chemical Society","2006","128","","6075","6088","10.1021/ja054167+","","","0.71073","MoKα","","0.1129","0.0689","","","0.151","0.1724","","","","","","1.026","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110580","13.1359","0.0005","18.6998","0.0005","19.8721","0.0005","62.065","0.003","80.408","0.004","80.262","0.004","4229","0.3","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H58 Cl N5 Ru Si -","- C43 H58 Cl N5 Ru Si -","- C172 H232 Cl4 N20 Ru4 Si4 -","4","2","","Hyojong Yoo; Patrick J. Carroll; Donald H. Berry","Synthesis and Structure of Ruthenium-Silylene Complexes: Activation of Si-Cl Bonds in N-Heterocyclic Silanes","Journal of the American Chemical Society","2006","128","","6038","6039","10.1021/ja0580744","","","0.71069","MoKα","","0.0598","0.0449","","","0.0952","0.1051","","","","","","1.091","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110581","9.5051","0.0009","13.2089","0.0012","19.556","0.0019","79.52","0.006","80.581","0.005","89.463","0.005","2381.3","0.4","143","1","143","1","","","","","","","","7","P -1","-P 1","2","","","","- C47 H65 Cl2 N5 O Ru Si -","- C47 H65 Cl2 N5 O Ru Si -","- C94 H130 Cl4 N10 O2 Ru2 Si2 -","2","1","","Hyojong Yoo; Patrick J. Carroll; Donald H. Berry","Synthesis and Structure of Ruthenium-Silylene Complexes: Activation of Si-Cl Bonds in N-Heterocyclic Silanes","Journal of the American Chemical Society","2006","128","","6038","6039","10.1021/ja0580744","","","0.71069","MoKα","","0.064","0.0424","","","0.1007","0.1116","","","","","","1.006","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110582","17.0427","0.0011","12.4563","0.0008","39.721","0.003","90","","90","","90","","8432.3","1","143","1","143","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H57 N7 Ru Si -","- C43 H57 N7 Ru Si -","- C344 H456 N56 Ru8 Si8 -","8","2","","Hyojong Yoo; Patrick J. Carroll; Donald H. Berry","Synthesis and Structure of Ruthenium-Silylene Complexes: Activation of Si-Cl Bonds in N-Heterocyclic Silanes","Journal of the American Chemical Society","2006","128","","6038","6039","10.1021/ja0580744","","","0.71069","MoKα","","0.0921","0.0605","","","0.1498","0.2182","","","","","","1.006","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110583","20.1662","0.0017","15.9814","0.0012","9.3941","0.0008","90","","101.285","0.002","90","","2969","0.4","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 Cl2 N3 O Ru -","- C31 H39 Cl2 N3 O Ru -","- C124 H156 Cl8 N12 O4 Ru4 -","4","1","","Hyojong Yoo; Patrick J. Carroll; Donald H. Berry","Synthesis and Structure of Ruthenium-Silylene Complexes: Activation of Si-Cl Bonds in N-Heterocyclic Silanes","Journal of the American Chemical Society","2006","128","","6038","6039","10.1021/ja0580744","","","0.71069","MoKα","","0.055","0.0366","","","0.0728","0.078","","","","","","0.933","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110584","20.0174","0.0017","15.776","0.0014","21.8635","0.0014","90","","119.266","0.006","90","","6023.1","0.9","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C102 H36 La O8 -","- C102 H36 La0.9993 O8 -","- C408 H144 La3.9972 O32 -","4","1","","Lai Feng; Takahiro Tsuchiya; Takatsugu Wakahara; Tsukasa Nakahodo; Qiuyue Piao; Yutaka Maeda; Takeshi Akasaka; Tatsuhisa Kato; Kenji Yoza; Ernst Horn; Naomi Mizorogi; Shigeru Nagase","Synthesis and Characterization of a Bisadduct of La@C82","Journal of the American Chemical Society","2006","128","","5990","5991","10.1021/ja058390i","","","0.71073","MoKα","","0.0963","0.0696","","","0.1822","0.2031","","","","","","1.052","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110585","14.4293","0.0019","14.8382","0.0019","15.87","0.002","90","","110.641","0.002","90","","3179.7","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H43 Br P2 Pt -","- C34 H43 Br P2 Pt -","- C136 H172 Br4 P8 Pt4 -","4","1","","Anupam Singh; Paul R. Sharp","Pt and Pd 1,4-Shifts at the Edge of Dibenz[a,c]anthracene","Journal of the American Chemical Society","2006","128","","5998","5999","10.1021/ja060159x","","","0.71073","MoKα","","0.0311","0.0215","","","0.0431","0.0457","","","","","","1.04","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110586","14.4172","0.0009","15.0084","0.0009","15.832","0.001","90","","111.105","0.001","90","","3195.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H42.93 Br1.07 P2 Pd -","- C34 H42.9313 Br1.0687 P2 Pd -","- C136 H171.725 Br4.2748 P8 Pd4 -","4","1","","Anupam Singh; Paul R. Sharp","Pt and Pd 1,4-Shifts at the Edge of Dibenz[a,c]anthracene","Journal of the American Chemical Society","2006","128","","5998","5999","10.1021/ja060159x","","","0.71073","MoKα","","0.0612","0.0401","","","0.0828","0.0896","","","","","","1.022","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110587","11.2515","0.0005","13.8933","0.0007","20.4873","0.001","90","","91.955","0.001","90","","3200.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 Br P2 Pt -","- C34 H43 Br P2 Pt -","- C136 H172 Br4 P8 Pt4 -","4","1","","Anupam Singh; Paul R. Sharp","Pt and Pd 1,4-Shifts at the Edge of Dibenz[a,c]anthracene","Journal of the American Chemical Society","2006","128","","5998","5999","10.1021/ja060159x","","","0.71073","MoKα","","0.0559","0.037","","","0.0828","0.0899","","","","","","1.034","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110588","11.784","0.003","13.383","0.003","20.37","0.005","90","","100.265","0.004","90","","3161","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 Br P2 Pd -","- C34 H43 Br P2 Pd -","- C136 H172 Br4 P8 Pd4 -","4","1","","Anupam Singh; Paul R. Sharp","Pt and Pd 1,4-Shifts at the Edge of Dibenz[a,c]anthracene","Journal of the American Chemical Society","2006","128","","5998","5999","10.1021/ja060159x","","","0.71073","MoKα","","0.1608","0.0888","","","0.1928","0.2182","","","","","","1.07","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110589","19.5105","0.0006","8.9572","0.0003","18.106","0.0005","90","","91.73","","90","","3162.75","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 Br P2 Pt -","- C34 H43 Br P2 Pt -","- C136 H172 Br4 P8 Pt4 -","4","1","","Anupam Singh; Paul R. Sharp","Pt and Pd 1,4-Shifts at the Edge of Dibenz[a,c]anthracene","Journal of the American Chemical Society","2006","128","","5998","5999","10.1021/ja060159x","","","0.71073","MoKα","","0.0284","0.0217","","","0.0502","0.0526","","","","","","1.032","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110590","13.3466","0.0001","17.3989","0.0002","17.8425","0.0001","73.208","0.004","68.263","0.004","88.452","0.003","3669.66","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Compound 1a","","","- C124 H166 B2 F49 P6 Rh6 -","- C124 H166 B2 F49 P6 Rh6 -","- C124 H166 B2 F49 P6 Rh6 -","1","0.5","","Simon K. Brayshaw; Michael J. Ingleson; Jennifer C. Green; J. Scott McIndoe; Paul R. Raithby; Gabriele Kociok-Köhn; Andrew S. Weller","High Hydride Count Rhodium Octahedra, [Rh6(PR3)6H12][BArF4]2: Synthesis, Structures, and Reversible Hydrogen Uptake under Mild Conditions","Journal of the American Chemical Society","2006","128","","6247","6263","10.1021/ja0604663","","","0.71073","MoKα","","0.0398","0.0319","","","0.0739","0.077","","","","","","1.025","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110591","17.672","0.0002","28.028","0.0003","31.078","0.0005","90","","90","","90","","15393.3","0.3","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Compound 2b[CB11Me11H]2","","","- C133 H271 B22 Cl2 P6 Rh6 -","- C133 H271 B22 Cl2 P6 Rh6 -","- C532 H1084 B88 Cl8 P24 Rh24 -","4","1","","Simon K. Brayshaw; Michael J. Ingleson; Jennifer C. Green; J. Scott McIndoe; Paul R. Raithby; Gabriele Kociok-Köhn; Andrew S. Weller","High Hydride Count Rhodium Octahedra, [Rh6(PR3)6H12][BArF4]2: Synthesis, Structures, and Reversible Hydrogen Uptake under Mild Conditions","Journal of the American Chemical Society","2006","128","","6247","6263","10.1021/ja0604663","","","0.71073","MoKα","","0.094","0.0561","","","0.1105","0.1216","","","","","","1.028","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110592","69.5388","0.0004","20.4464","0.0001","27.8999","0.0002","90","","100.821","0.001","90","","38963.2","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Compound 2a","","","- C181.63 H247.25 B2 Cl5.25 F48 P6 Rh6 -","- C181.63 H247.26 B2 Cl5.25 F48 P6 Rh6 -","- C1453.04 H1978.08 B16 Cl42 F384 P48 Rh48 -","8","1","","Simon K. Brayshaw; Michael J. Ingleson; Jennifer C. Green; J. Scott McIndoe; Paul R. Raithby; Gabriele Kociok-Köhn; Andrew S. Weller","High Hydride Count Rhodium Octahedra, [Rh6(PR3)6H12][BArF4]2: Synthesis, Structures, and Reversible Hydrogen Uptake under Mild Conditions","Journal of the American Chemical Society","2006","128","","6247","6263","10.1021/ja0604663","","","0.71073","MoKα","","0.105","0.0509","","","0.1188","0.1452","","","","","","1.022","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110593","16.893","0.0002","16.862","0.0002","20.147","0.0002","90","","109.923","0.001","90","","5395.41","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound 5","","","- C50 H47 B F25 P2 Rh -","- C50 H46.5 B F25 P2 Rh -","- C200 H186 B4 F100 P8 Rh4 -","4","1","","Simon K. Brayshaw; Michael J. Ingleson; Jennifer C. Green; J. Scott McIndoe; Paul R. Raithby; Gabriele Kociok-Köhn; Andrew S. Weller","High Hydride Count Rhodium Octahedra, [Rh6(PR3)6H12][BArF4]2: Synthesis, Structures, and Reversible Hydrogen Uptake under Mild Conditions","Journal of the American Chemical Society","2006","128","","6247","6263","10.1021/ja0604663","","","0.71073","MoKα","","0.0549","0.0348","","","0.081","0.0904","","","","","","1.024","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110594","9.04","0.0004","10.49","0.0005","13.924","0.0008","90","","90","","90","","1320.41","0.11","298","","","","","","","","","","Local laboratory","6","C m c m","-C 2c 2","63","","","","- C6 H2 Cl4 In N2 S4 -","- C8 H2.66667 Cl5.33333 In1.33333 N2.66667 S5.33333 -","- C24 H8 Cl16 In4 N8 S16 -","3","0.1875","","Wataru Fujita; Kunio Awaga; Ryusuke Kondo; Seiichi Kagoshima","A One-Dimensional Coordination Polymer, BBDTA.InCl4: Possible Spin-Peierls Transition with High Critical Temperature of 108 K","Journal of the American Chemical Society","2006","128","","6016","6017","10.1021/ja060979+","","","0.71073","MoKα","","0.0433","0.0431","","","0.1172","0.1174","","","","","","1.191","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110595","19.2729","0.0008","12.072","0.0005","14.6636","0.0006","90","","111.057","0.001","90","","3183.8","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17.5 H23 O0.5 Si Ti0.5 -","- C17.5 H23 O0.5 Si Ti0.5 -","- C140 H184 O4 Si8 Ti4 -","8","1","","Tamara E. Hanna; Emil Lobkovsky; Paul J. Chirik","Mono(dinitrogen) and Carbon Monoxide Adducts of Bis(cyclopentadienyl) Titanium Sandwiches","Journal of the American Chemical Society","2006","128","","6018","6019","10.1021/ja061213c","","","0.71073","MoKα","","0.0554","0.0351","","","0.0933","0.0999","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110596","19.2468","0.0006","12.0669","0.0004","14.6246","0.0005","90","","110.937","0.001","90","","3172.29","0.18","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H23 N Si Ti0.5 -","- C17 H23 N Si Ti0.5 -","- C136 H184 N8 Si8 Ti4 -","8","1","","Tamara E. Hanna; Emil Lobkovsky; Paul J. Chirik","Mono(dinitrogen) and Carbon Monoxide Adducts of Bis(cyclopentadienyl) Titanium Sandwiches","Journal of the American Chemical Society","2006","128","","6018","6019","10.1021/ja061213c","","","0.71073","MoKα","","0.0422","0.0304","","","0.084","0.0891","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110597","17.083","0.0005","8.4015","0.0003","19.0165","0.0008","90","","98.493","0.002","90","","2699.37","0.17","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H21 O Si Ti0.5 -","- C13 H21 O Si Ti0.5 -","- C104 H168 O8 Si8 Ti4 -","8","1","","Tamara E. Hanna; Emil Lobkovsky; Paul J. Chirik","Mono(dinitrogen) and Carbon Monoxide Adducts of Bis(cyclopentadienyl) Titanium Sandwiches","Journal of the American Chemical Society","2006","128","","6018","6019","10.1021/ja061213c","","","0.71073","MoKα","","0.0628","0.0345","","","0.0901","0.1027","","","","","","0.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110598","8.0187","0.0005","23.4465","0.0014","12.3357","0.0007","90","","94.079","0.001","90","","2313.4","0.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 N4 O4 S2 -","- C22 H24 N4 O4 S2 -","- C88 H96 N16 O16 S8 -","4","2","","Tsuneomi Kawasaki; Hiroyuki Tanaka; Takashi Tsutsumi; Toshinari Kasahara; Itaru Sato; Kenso Soai","Chiral Discrimination of Cryptochiral Saturated Quaternary and Tertiary Hydrocarbons by Asymmetric Autocatalysis","Journal of the American Chemical Society","2006","128","","6032","6033","10.1021/ja061429e","","","0.71073","MoKα","","0.0814","0.0511","","","0.1129","0.1262","","","","","","0.923","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110599","7.9066","0.0002","9.376","0.0002","13.4358","0.0003","105.214","0.0016","98.189","0.0017","101.572","0.0017","921.32","0.04","160","1","160","1","","","","","","","","3","P -1","-P 1","2","","","","- C26 H14 Br2 -","- C26 H14 Br2 -","- C52 H28 Br4 -","2","1","","Yao-Ting Wu; Tomoharu Hayama; Kim K. Baldridge; Anthony Linden; Jay S. Siegel","Synthesis of Fluoranthenes and Indenocorannulenes: Elucidation of Chiral Stereoisomers on the Basis of Static Molecular Bowls","Journal of the American Chemical Society","2006","128","","6870","6884","10.1021/ja058391a","","","0.71073","MoKα","","0.0368","0.0288","","","0.0701","0.0739","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110600","17.2204","0.0004","14.7197","0.0003","28.2615","0.0007","90","","95.9558","0.0009","90","","7125","0.3","160","1","160","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46.5 H29 Cl O8 -","- C46 H28 O8 -","- C368 H224 O64 -","8","2","","Yao-Ting Wu; Tomoharu Hayama; Kim K. Baldridge; Anthony Linden; Jay S. Siegel","Synthesis of Fluoranthenes and Indenocorannulenes: Elucidation of Chiral Stereoisomers on the Basis of Static Molecular Bowls","Journal of the American Chemical Society","2006","128","","6870","6884","10.1021/ja058391a","","","0.71073","MoKα","","0.1538","0.0689","","","0.163","0.1904","","","","","","0.996","","","","has coordinates,has disorder","178877","2020-10-21","18:00:00",""
"4110601","8.8552","0.0009","9.4886","0.0002","21.266","0.002","90","0.01","90","0.008","90","0.01","1786.8","0.3","293","2","293","2","","","101.325","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","2-Phenylpropionic acid biphenyl amide","(R)-1-(5,7-Dihydro-dibenzo[c,e]azepin-6-yl)-2-phenyl-propan-1-one","","- C23 H21 N O -","- C23 H21 N O -","- C92 H84 N4 O4 -","4","1","","Stefano Superchi; Roberto Bisaccia; Daniele Casarini; Alessandro Laurita; Carlo Rosini","Flexible Biphenyl Chromophore as a Circular Dichroism Probe for Assignment of the Absolute Configuration of Carboxylic Acids","Journal of the American Chemical Society","2006","128","","6893","6902","10.1021/ja058552a","","x-ray","1.54184","CuKα","","0.0627","0.0377","","","0.0892","0.1023","","","","","","1.085","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110602","6.801","0.0014","25.729","0.005","11.498","0.002","90","","90","","90","","2012","0.7","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H14 F6 O6 -","- C20 H14 F6 O6 -","- C80 H56 F24 O24 -","4","0.5","","Bryan K. Spraul; S. Suresh; Jianyong Jin; Dennis W. Smith","Synthesis and Electronic Factors in Thermal Cyclodimerization of Functionalized Aromatic Trifluorovinyl Ethers","Journal of the American Chemical Society","2006","128","","7055","7064","10.1021/ja0600227","","","0.71073","MoKα","","0.0902","0.0855","","","0.2147","0.2189","","","","","","1.175","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110603","6.111","0.0012","12.614","0.003","12.62","0.003","93.54","0.03","97.26","0.03","95.7","0.03","957.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 F6 O6 -","- C20 H14 F6 O6 -","- C40 H28 F12 O12 -","2","1","","Bryan K. Spraul; S. Suresh; Jianyong Jin; Dennis W. Smith","Synthesis and Electronic Factors in Thermal Cyclodimerization of Functionalized Aromatic Trifluorovinyl Ethers","Journal of the American Chemical Society","2006","128","","7055","7064","10.1021/ja0600227","","","0.71073","MoKα","","0.1925","0.1371","","","0.2879","0.3117","","","","","","1.529","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110604","14.286","0.007","7.151","0.003","18.1","0.009","90","0.002","105.577","0.003","90","0.002","1781.2","1.5","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C84 H112 O12 -","4","1","","Shunsuke Chiba; Mitsuru Kitamura; Koichi Narasaka","Synthesis of (-)-Sordarin","Journal of the American Chemical Society","2006","128","","6931","6937","10.1021/ja060408h","","","0.7107","MoKYa","","0.0481","0.043","","","0.105","0.1088","","","","","","1.057","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110605","16.299","0.006","7.285","0.002","16.445","0.006","90","","90","","90","","1952.6","1.1","253.2","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C26 H22 S -","- C26 H22 S -","- C104 H88 S4 -","4","0.5","","Soichi Sato; Kaoru Matsunaga; Ernst Horn; Naomichi Furukawa; Tatsuya Nabeshima","Isolation and Molecular Structure of the Organo-persulfuranes [12-S-6(C6)]","Journal of the American Chemical Society","2006","128","","6778","6779","10.1021/ja060497y","","","0.7107","MoKα","","","0.0386","","","","0.0361","","","","","","2.405","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110606","10.0742","0.0004","15.5556","0.0006","19.061","0.002","99.366","0.003","90.46","0.005","96.393","0.003","2927.9","0.3","273.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H49 Ni O P -","- C31 H49 Ni O P -","- C124 H196 Ni4 O4 P4 -","4","2","","Sensuke Ogoshi; Kei-ichi Tonomori; Masa-aki Oka; Hideo Kurosawa","Reversible Carbon-Carbon Bond Formation between 1,3-Dienes and Aldehyde or Ketone on Nickel(0)","Journal of the American Chemical Society","2006","128","","7077","7086","10.1021/ja060580l","","","0.7107","MoKα","","","0.089","","","","0.111","","","","","","5.397","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110607","10.295","0.002","11.7206","0.0003","11.9586","0.0009","76.284","0.008","82.68","0.01","75.383","0.008","1352.9","0.3","273.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H45 Ni O P -","- C29 H44.5 Ni O P -","- C58 H89 Ni2 O2 P2 -","2","1","","Sensuke Ogoshi; Kei-ichi Tonomori; Masa-aki Oka; Hideo Kurosawa","Reversible Carbon-Carbon Bond Formation between 1,3-Dienes and Aldehyde or Ketone on Nickel(0)","Journal of the American Chemical Society","2006","128","","7077","7086","10.1021/ja060580l","","","0.7107","MoKα","","","0.096","","","","0.101","","","","","","7.532","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110608","17.232","0.0005","9.8036","0.0002","17.3024","0.0005","90","","70.274","0.0005","90","","2751.46","0.13","273.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H49 Ni O P -","- C27 H49 Ni O P -","- C108 H196 Ni4 O4 P4 -","4","1","","Sensuke Ogoshi; Kei-ichi Tonomori; Masa-aki Oka; Hideo Kurosawa","Reversible Carbon-Carbon Bond Formation between 1,3-Dienes and Aldehyde or Ketone on Nickel(0)","Journal of the American Chemical Society","2006","128","","7077","7086","10.1021/ja060580l","","","0.7107","MoKα","","","0.089","","","","0.097","","","","","","5.905","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110609","9.4073","0.0004","20.838","0.001","21.163","0.001","90","","98.066","0.002","90","","4107.5","0.3","153.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H61 Ni O P -","- C49 H61 Ni O P -","- C196 H244 Ni4 O4 P4 -","4","1","","Sensuke Ogoshi; Kei-ichi Tonomori; Masa-aki Oka; Hideo Kurosawa","Reversible Carbon-Carbon Bond Formation between 1,3-Dienes and Aldehyde or Ketone on Nickel(0)","Journal of the American Chemical Society","2006","128","","7077","7086","10.1021/ja060580l","","","0.7107","MoKα","","","0.052","","","","0.062","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110610","9.354","0.0009","10.155","0.001","15.498","0.001","81.276","0.002","87.303","0.003","70.878","0.002","1374.8","0.2","273.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H49 Ni O P -","- C28 H49 Ni O P -","- C56 H98 Ni2 O2 P2 -","2","1","","Sensuke Ogoshi; Kei-ichi Tonomori; Masa-aki Oka; Hideo Kurosawa","Reversible Carbon-Carbon Bond Formation between 1,3-Dienes and Aldehyde or Ketone on Nickel(0)","Journal of the American Chemical Society","2006","128","","7077","7086","10.1021/ja060580l","","","0.7107","MoKα","","","0.061","","","","0.076","","","","","","4.443","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110611","26.9948","0.0016","26.9948","0.0016","12.7245","0.0011","90","","90","","90","","9272.6","1.1","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C36 H40 Br16 Cl8 Mn12 O48 -","- C36 H24 Br16.02 Cl8.376 Mn12 O48 -","- C144 H96 Br64.08 Cl33.504 Mn48 O192 -","4","0.25","","Nicole E. Chakov; Sheng-Chiang Lee; Andrew G. Harter; Philip L. Kuhns; Arneil P. Reyes; Stephen O. Hill; N. S. Dalal; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","The Properties of the [Mn12O12(O2CR)16(H2O)4] Single-Molecule Magnets in Truly Axial Symmetry: [Mn12O12(O2CCH2Br)16(H2O)4].4CH2Cl2","Journal of the American Chemical Society","2006","128","","6975","6989","10.1021/ja060796n","","","0.71073","MoKα","","0.0805","0.0568","","","0.1543","0.1648","","","","","","1.075","","","","has coordinates,has disorder","178877","2020-10-21","18:00:00",""
"4110612","9.94","0.006","12.243","0.008","17.692","0.011","103.468","0.008","90.715","0.007","102.807","0.008","2037","2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Methyldiphenylsilane","Methyldiphenyl[2-(phenylazo)phenyl]silane","","- C25 H22 N2 Si -","- C25 H22 N2 Si -","- C100 H88 N8 Si4 -","4","2","","Naokazu Kano; Fuminori Komatsu; Masaki Yamamura; Takayuki Kawashima","Reversible Photoswitching of the Coordination Numbers of Silicon in Organosilicon Compounds Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2006","128","","7097","7109","10.1021/ja060926s","","","0.7107","MoKα","","0.0393","0.0347","","","0.0913","0.0978","","","","","","1.053","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110613","10.465","0.0014","10.7808","0.0017","11.1487","0.0011","91.788","0.002","114.662","0.003","117.112","0.003","978.6","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Diphenylsilane","Diphenyl[2-(phenylazo)phenyl]silane","","- C24 H20 N2 Si -","- C24 H20 N2 Si -","- C48 H40 N4 Si2 -","2","1","","Naokazu Kano; Fuminori Komatsu; Masaki Yamamura; Takayuki Kawashima","Reversible Photoswitching of the Coordination Numbers of Silicon in Organosilicon Compounds Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2006","128","","7097","7109","10.1021/ja060926s","","","0.7107","MoKα","","0.033","0.0304","","","0.0751","0.0766","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110614","8.235","0.002","8.5166","0.001","9.231","0.001","78.244","0.007","70.599","0.006","85.024","0.003","597.71","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Trifluorosilane","Trifluoro[2-(phenylazo)phenyl]silane","","- C12 H9 F3 N2 Si -","- C12 H9 F3 N2 Si -","- C24 H18 F6 N4 Si2 -","2","1","","Naokazu Kano; Fuminori Komatsu; Masaki Yamamura; Takayuki Kawashima","Reversible Photoswitching of the Coordination Numbers of Silicon in Organosilicon Compounds Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2006","128","","7097","7109","10.1021/ja060926s","","","0.7107","MoKα","","0.0448","0.0355","","","0.098","0.1034","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110615","8.656","0.007","9.738","0.009","13.17","0.011","101.156","0.008","99.258","0.008","113.12","0.009","966.5","1.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Fluorodiphenylsilane","Fluorodiphenyl[2-(phenylazo)phenyl]silane","","- C24 H19 F N2 Si -","- C24 H19 F N2 Si -","- C48 H38 F2 N4 Si2 -","2","1","","Naokazu Kano; Fuminori Komatsu; Masaki Yamamura; Takayuki Kawashima","Reversible Photoswitching of the Coordination Numbers of Silicon in Organosilicon Compounds Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2006","128","","7097","7109","10.1021/ja060926s","","","0.7107","MoKα","","0.0465","0.0367","","","0.0893","0.0962","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110616","8.502","0.006","9.12","0.007","11.061","0.008","105.729","0.008","107.023","0.008","93.714","0.007","779.6","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Difluorophenylsilane","Fluorodiphenyl[2-(phenylazo)phenyl]silane","","- C18 H14 F2 N2 Si -","- C18 H14 F2 N2 Si -","- C36 H28 F4 N4 Si2 -","2","1","","Naokazu Kano; Fuminori Komatsu; Masaki Yamamura; Takayuki Kawashima","Reversible Photoswitching of the Coordination Numbers of Silicon in Organosilicon Compounds Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2006","128","","7097","7109","10.1021/ja060926s","","","0.7107","MoKα","","0.0394","0.0312","","","0.079","0.0838","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110617","9.314","0.003","16.258","0.006","18.099","0.007","90","","90","","90","","2740.7","1.7","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Tetrafluorosilicate","Potassium, 18-crown-6, Tetrafluoro[2-(phenylazo)phenyl]silicate","","- C24 H33 F4 K N2 O6 Si -","- C24 H33 F4 K N2 O6 Si -","- C96 H132 F16 K4 N8 O24 Si4 -","4","1","","Naokazu Kano; Fuminori Komatsu; Masaki Yamamura; Takayuki Kawashima","Reversible Photoswitching of the Coordination Numbers of Silicon in Organosilicon Compounds Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2006","128","","7097","7109","10.1021/ja060926s","","","0.7107","MoKα","","0.0222","0.0216","","","0.0551","0.0557","","","","","","1.077","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110618","12.344","0.003","9.256","0.002","20.452","0.005","90","","105.213","0.0013","90","","2254.9","0.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dimethylsilane","Dimethylbis[2-(phenylazo)phenyl]silane","","- C26 H24 N4 Si -","- C26 H24 N4 Si -","- C104 H96 N16 Si4 -","4","1","","Naokazu Kano; Fuminori Komatsu; Masaki Yamamura; Takayuki Kawashima","Reversible Photoswitching of the Coordination Numbers of Silicon in Organosilicon Compounds Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2006","128","","7097","7109","10.1021/ja060926s","","","0.7107","MoKα","","0.0374","0.034","","","0.0934","0.0962","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110619","13.309","0.004","9.647","0.003","15.468","0.005","90","","101.578","0.0016","90","","1945.6","1.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fluorodiphenylsilane","Fluorodiphenyl[2-(phenylazo)phenyl]silane","","- C24 H19 F N2 Si -","- C24 H19 F N2 Si -","- C96 H76 F4 N8 Si4 -","4","1","","Naokazu Kano; Fuminori Komatsu; Masaki Yamamura; Takayuki Kawashima","Reversible Photoswitching of the Coordination Numbers of Silicon in Organosilicon Compounds Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2006","128","","7097","7109","10.1021/ja060926s","","","0.7107","MoKα","","0.0411","0.0368","","","0.093","0.0964","","","","","","1.054","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110620","13.4452","0.0017","14.836","0.002","15.75","0.002","74.096","0.006","69.804","0.003","79.731","0.002","2823.5","0.6","103","2","103","2","","","","","","","","7","P -1","-P 1","2","Tetrafluorosilicate","Potassium, 18-crown-6, Tetrafluoro[2-(phenylazo)phenyl]silicate","","- C24 H33 F4 K N2 O6 Si -","- C24 H33 F4 K N2 O6 Si -","- C96 H132 F16 K4 N8 O24 Si4 -","4","2","","Naokazu Kano; Fuminori Komatsu; Masaki Yamamura; Takayuki Kawashima","Reversible Photoswitching of the Coordination Numbers of Silicon in Organosilicon Compounds Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2006","128","","7097","7109","10.1021/ja060926s","","","0.7107","MoKα","","0.1115","0.0678","","","0.1551","0.1803","","","","","","1.04","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110621","15.6989","0.0011","13.553","0.0012","11.3397","0.001","90","","108.767","0.007","90","","2284.4","0.3","","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 Cl4 Cu2 N6 O20 -","- C32 H48 Cl4 Cu2 N6 O20 -","- C64 H96 Cl8 Cu4 N12 O40 -","2","0.5","","Sunita Thyagarajan; Narasimha N. Murthy; Amy A. Narducci Sarjeant; Kenneth D. Karlin; Steve E. Rokita","Selective DNA Strand Scission with Binuclear Copper Complexes: Implications for an Active Cu2-O2 Species","Journal of the American Chemical Society","2006","128","","7003","7008","10.1021/ja061014t","","","0.71073","MoKα","","0.076","0.0642","","","0.1709","0.1783","","","","","","1.089","","","","has coordinates,has disorder","178877","2020-10-21","18:00:00",""
"4110622","10.7555","0.0015","11.6912","0.0016","32.48","0.002","90","","90","","90","","4084.2","0.8","","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H45 Cu2 N11 O12 -","- C35 H45 Cu2 N11 O12 -","- C140 H180 Cu8 N44 O48 -","4","1","","Sunita Thyagarajan; Narasimha N. Murthy; Amy A. Narducci Sarjeant; Kenneth D. Karlin; Steve E. Rokita","Selective DNA Strand Scission with Binuclear Copper Complexes: Implications for an Active Cu2-O2 Species","Journal of the American Chemical Society","2006","128","","7003","7008","10.1021/ja061014t","","","0.71073","MoKα","","0.0934","0.0666","","","0.176","0.1965","","","","","","0.985","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110623","14.88","0.006","6.954","0.003","18.075","0.007","90","","93.056","0.005","90","","1867.7","1.3","151.2","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C20 H21 Cl O5 -","- C20 H21 Cl O5 -","- C80 H84 Cl4 O20 -","4","1","","Brian G. Pujanauski; B. A. Bhanu Prasad; Richmond Sarpong","Pt-Catalyzed Tandem Epoxide Fragmentation/Pentannulation of Propargylic Esters","Journal of the American Chemical Society","2006","128","","6786","6787","10.1021/ja061549m","","","0.7107","MoKα","","0.0718","0.0441","","0.0802","","0.0664","","","","","","1.418","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110624","29.472","0.006","10.8424","0.0015","23.537","0.004","90","","109.844","0.004","90","","7075","2","128","2","128","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H54 N2 P2 Ti -","- C36 H54 N2 P2 Ti -","- C288 H432 N16 P16 Ti8 -","8","1","","Brad C. Bailey; Hongjun Fan; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Room Temperature Ring-Opening Metathesis of Pyridines by a Transient Ti\τbC Linkage","Journal of the American Chemical Society","2006","128","","6798","6799","10.1021/ja061590p","","","0.71073","MoKα","","0.1122","0.0488","","","0.0729","0.0846","","","","","","0.69","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110625","10.79","0.002","12.717","0.003","16.2","0.004","95.296","0.006","90.479","0.006","111.567","0.005","2056.3","0.8","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H68 N2 P2 Ti -","- C42 H68 N2 P2 Ti -","- C84 H136 N4 P4 Ti2 -","2","1","","Brad C. Bailey; Hongjun Fan; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Room Temperature Ring-Opening Metathesis of Pyridines by a Transient Ti\τbC Linkage","Journal of the American Chemical Society","2006","128","","6798","6799","10.1021/ja061590p","","","0.71073","MoKα","","0.0622","0.043","","","0.1145","0.1236","","","","","","0.995","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110626","8.2172","0.0002","12.7309","0.0003","17.5015","0.0005","90","","91.193","0.002","90","","1830.48","0.08","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","TMS-Si3-Si3-TMS","11,11-dimethyl-1-(11',11'-dimethyl-6'- trimethylsilyl-1',6',11'-trisilabicyclo[4.4.1]undec- 1'-yl)-6-trimethylsilyl-1,6,11- trisilabicyclo[4.4.1]undecane","","- C26 H62 Si8 -","- C26 H62 Si8 -","- C52 H124 Si16 -","2","0.5","","Aiko Fukazawa; Hayato Tsuji; Kohei Tamao","all-anti-Octasilane: Conformation Control of Silicon Chains Using the Bicyclic Trisilane as a Building Block","Journal of the American Chemical Society","2006","128","","6800","6801","10.1021/ja0616231","","","0.71069","MoKα","","0.0448","0.0423","","","0.0997","0.1014","","","","","","1.089","","","","has coordinates,has disorder","178877","2020-10-21","18:00:00",""
"4110627","14.9612","0.001","14.2852","0.001","16.87","0.0011","90","","98.329","0.002","90","","3567.5","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Cl4 Cu2 N14 O3 P2 -","- C25 H30 Cl4 Cu2 N14 O3 P2 -","- C100 H120 Cl16 Cu8 N56 O12 P8 -","4","1","","Vadapalli Chandrasekhar; Ramachandran Azhakar; Venkatasubbaiah Krishnan; Arunachalampillai Athimoolam; Balasubramanian Murugesa Pandian","Cyclocarbophosphazene-Containing Tetrameric Assemblies Formed by the Mediation of P-O-P and P-O-Cu Linkages","Journal of the American Chemical Society","2006","128","","6802","6803","10.1021/ja061635m","","","0.71069","MoKα","","0.1233","0.0694","","","0.1485","0.1707","","","","","","1.025","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110628","19.93","0.003","19.93","0.003","14.509","0.004","90","","90","","90","","5763","2","100","2","100","2","","","","","","","","7","P 42/m","-P 4c","84","","","","- C14.5 H17.5 Br Cu N8 O1.5 P -","- C14.5 H18 Br Cu N8 O1.5 P -","- C116 H144 Br8 Cu8 N64 O12 P8 -","8","1","","Vadapalli Chandrasekhar; Ramachandran Azhakar; Venkatasubbaiah Krishnan; Arunachalampillai Athimoolam; Balasubramanian Murugesa Pandian","Cyclocarbophosphazene-Containing Tetrameric Assemblies Formed by the Mediation of P-O-P and P-O-Cu Linkages","Journal of the American Chemical Society","2006","128","","6802","6803","10.1021/ja061635m","","","0.71069","MoKα","","0.107","0.0583","","","0.1482","0.1623","","","","","","0.9","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110629","35.218","0.011","14.702","0.005","37.941","0.011","90","","114.365","0.005","90","","17895","10","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C91 H102 B Cl6 N6 Yb2 -","- C89.25 H96 B Cl2.5 N6 Yb2 -","- C714 H768 B8 Cl20 N48 Yb16 -","8","1","","Christin N. Carlson; Christopher J. Kuehl; Ryan E. Da Re; Jacqueline M. Veauthier; Eric J. Schelter; Ashley E. Milligan; Brian L. Scott; Eric D. Bauer; J. D. Thompson; David E. Morris; Kevin D. John","Ytterbocene Charge-Transfer Molecular Wire Complexes","Journal of the American Chemical Society","2006","128","","7230","7241","10.1021/ja058667e","","","0.71073","MoKα","","0.0913","0.0792","","","0.1808","0.1836","","","","","","2.507","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110630","19.553","0.005","11.027","0.003","16.878","0.004","90","","91.985","0.005","90","","3636.9","1.6","141","1","141","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C102 H120 N6 Yb2 -","- C74 H88 N6 Yb2 -","- C148 H176 N12 Yb4 -","2","0.5","","Christin N. Carlson; Christopher J. Kuehl; Ryan E. Da Re; Jacqueline M. Veauthier; Eric J. Schelter; Ashley E. Milligan; Brian L. Scott; Eric D. Bauer; J. D. Thompson; David E. Morris; Kevin D. John","Ytterbocene Charge-Transfer Molecular Wire Complexes","Journal of the American Chemical Society","2006","128","","7230","7241","10.1021/ja058667e","","","0.71073","MoKα","","0.0584","0.039","","","0.0871","0.0909","","","","","","0.941","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110631","11.36","0.003","15.544","0.003","19.137","0.004","90","","93.107","0.004","90","","3374.2","1.3","203","2","203","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H41 F3 N3 O3 S Yb -","- C36 H41 F3 N3 O3 S Yb -","- C144 H164 F12 N12 O12 S4 Yb4 -","4","2","","Christin N. Carlson; Christopher J. Kuehl; Ryan E. Da Re; Jacqueline M. Veauthier; Eric J. Schelter; Ashley E. Milligan; Brian L. Scott; Eric D. Bauer; J. D. Thompson; David E. Morris; Kevin D. John","Ytterbocene Charge-Transfer Molecular Wire Complexes","Journal of the American Chemical Society","2006","128","","7230","7241","10.1021/ja058667e","","","0.71073","MoKα","","0.0744","0.0648","","","0.1214","0.1256","","","","","","1.148","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110632","22.515","0.006","11.347","0.003","12.84","0.003","90","","106.377","0.005","90","","3147.2","1.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br O3 -","- C18 H18 Br O3 -","- C144 H144 Br8 O24 -","8","2","","Stephanie M. Ng; Scott J. Bader; Marc L. Snapper","Solvent-Controlled Intramolecular [2 + 2] Photocycloadditions of α-Substituted Enones","Journal of the American Chemical Society","2006","128","","7315","7319","10.1021/ja060968g","","x-ray","0.71073","MoKα","","0.0927","0.0683","","","0.1623","0.1725","","","","","","1.139","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110633","7.403","0.002","14.05","0.004","8.221","0.002","90","","97.826","0.004","90","","847.1","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C38 H38 Br2 O6 -","2","1","","Stephanie M. Ng; Scott J. Bader; Marc L. Snapper","Solvent-Controlled Intramolecular [2 + 2] Photocycloadditions of α-Substituted Enones","Journal of the American Chemical Society","2006","128","","7315","7319","10.1021/ja060968g","","","0.71073","MoKα","","0.0255","0.0243","","","0.0665","0.0672","","","","","","0.72","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110634","6.6324","0.0005","7.3864","0.0009","16.3004","0.0014","80.465","0.002","80.05","0.002","74.974","0.002","753.49","0.13","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 Br O3 -","- C17 H17 Br O3 -","- C34 H34 Br2 O6 -","2","1","","Stephanie M. Ng; Scott J. Bader; Marc L. Snapper","Solvent-Controlled Intramolecular [2 + 2] Photocycloadditions of α-Substituted Enones","Journal of the American Chemical Society","2006","128","","7315","7319","10.1021/ja060968g","","x-ray","0.71073","MoKα","","0.0438","0.0389","","","0.1051","0.1082","","","","","","1.052","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110635","7.6996","0.0013","14.279","0.003","15.933","0.003","88","0.003","77.06","0.002","76.47","0.003","1659.6","0.5","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","4","","Stephanie M. Ng; Scott J. Bader; Marc L. Snapper","Solvent-Controlled Intramolecular [2 + 2] Photocycloadditions of α-Substituted Enones","Journal of the American Chemical Society","2006","128","","7315","7319","10.1021/ja060968g","","x-ray","0.71073","MoKα","","0.05","0.0394","","","0.0873","0.0912","","","","","","0.964","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110636","9.606","0.003","8.357","0.002","12.604","0.004","90","","97.84","0.005","90","","1002.4","0.5","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","1","","Stephanie M. Ng; Scott J. Bader; Marc L. Snapper","Solvent-Controlled Intramolecular [2 + 2] Photocycloadditions of α-Substituted Enones","Journal of the American Chemical Society","2006","128","","7315","7319","10.1021/ja060968g","","x-ray","0.71073","MoKα","","0.0562","0.0472","","","0.1193","0.1245","","","","","","1.018","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110637","12.9427","0.0018","19.328","0.003","16.081","0.002","90","","100.639","0.002","90","","3953.6","1","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 I2 K N7 O2 U -","- C35 H35 I2 K N7 O2 U -","- C140 H140 I8 K4 N28 O8 U4 -","4","1","","Louise Natrajan; Fabien Burdet; Jacques Pécaut; Marinella Mazzanti","Synthesis and Structure of a Stable Pentavalent-Uranyl Coordination Polymer","Journal of the American Chemical Society","2006","128","","7152","7153","10.1021/ja0609809","","","0.71073","MoKα","","0.0166","0.014","","","0.0343","0.0354","","","","","","1.033","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110638","8.3297","0.0002","13.933","0.004","21.481","0.003","90","","90","","90","","2493","0.8","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 N2 O5 S2 -","- C22 H36 N2 O5 S2 -","- C88 H144 N8 O20 S8 -","4","1","","Shashi Kant Tiwari; Hans-Joachim Gais; Andreas Lindenmaier; Gadamsetti Surendra Babu; Gerhard Raabe; Leleti Rajender Reddy; Franz Köhler; Markus Günter; Stefan Koep; Vijaya Bhaskara Reddy Iska","Functionalized Chiral Vinyl Aminosulfoxonium Salts: Asymmetric Synthesis and Application to the Synthesis of Enantiopure Unsaturated Prolines, β,γ-Dehydro Amino Acids, and Cyclopentanoid Keto Aminosulfoxonium Ylides","Journal of the American Chemical Society","2006","128","","7360","7373","10.1021/ja061152i","","","1.54179","CuKα","","0.049","0.045","","0.059","","0.058","","","2.92","","","2.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110639","9.965","0.001","10.64","0.005","15.538","0.003","90","","90","","90","","1647.5","0.9","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O4 S -","- C14 H25 N O4 S -","- C56 H100 N4 O16 S4 -","4","1","","Shashi Kant Tiwari; Hans-Joachim Gais; Andreas Lindenmaier; Gadamsetti Surendra Babu; Gerhard Raabe; Leleti Rajender Reddy; Franz Köhler; Markus Günter; Stefan Koep; Vijaya Bhaskara Reddy Iska","Functionalized Chiral Vinyl Aminosulfoxonium Salts: Asymmetric Synthesis and Application to the Synthesis of Enantiopure Unsaturated Prolines, β,γ-Dehydro Amino Acids, and Cyclopentanoid Keto Aminosulfoxonium Ylides","Journal of the American Chemical Society","2006","128","","7360","7373","10.1021/ja061152i","","","1.54179","CuKα","","0.082","0.074","","0.093","","0.092","","","2.334","","","2.42","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110640","10.1605","0.0006","15.1025","0.0007","15.6023","0.0007","90","","90","","90","","2394.2","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 N2 O4 S2 -","- C23 H34 N2 O4 S2 -","- C92 H136 N8 O16 S8 -","4","1","","Shashi Kant Tiwari; Hans-Joachim Gais; Andreas Lindenmaier; Gadamsetti Surendra Babu; Gerhard Raabe; Leleti Rajender Reddy; Franz Köhler; Markus Günter; Stefan Koep; Vijaya Bhaskara Reddy Iska","Functionalized Chiral Vinyl Aminosulfoxonium Salts: Asymmetric Synthesis and Application to the Synthesis of Enantiopure Unsaturated Prolines, β,γ-Dehydro Amino Acids, and Cyclopentanoid Keto Aminosulfoxonium Ylides","Journal of the American Chemical Society","2006","128","","7360","7373","10.1021/ja061152i","","","1.54179","CuKα","","0.035","0.035","","0.044","","0.044","","","2.52","","","2.529","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110641","17.653","0.0008","17.704","0.0009","23.816","0.0007","90","","110.625","0.002","90","","6966.1","0.5","153","2","153","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","Fe2C60Me5Ph5Cp2_C5v","","- C111 H55 Cl Fe2 -","- C111 H55 Cl Fe2 -","- C444 H220 Cl4 Fe8 -","4","1","","Yutaka Matsuo; Kazukuni Tahara; Eiichi Nakamura","Synthesis and Electrochemistry of Double-Decker Buckyferrocenes","Journal of the American Chemical Society","2006","128","","7154","7155","10.1021/ja061175x","","x-ray","0.71073","MoKα","","0.1109","0.0831","","","0.221","0.2628","","","","","","1.031","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110642","9.99","0.0004","16.299","0.0005","15.211","0.0005","90","","100.238","0.002","90","","2437.33","0.15","173","2","173","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","Fe2C60Me10Cp2_D5d","","- C40 H20 Fe -","- C40 H20 Fe -","- C160 H80 Fe4 -","4","1","","Yutaka Matsuo; Kazukuni Tahara; Eiichi Nakamura","Synthesis and Electrochemistry of Double-Decker Buckyferrocenes","Journal of the American Chemical Society","2006","128","","7154","7155","10.1021/ja061175x","","x-ray","0.71073","MoKα","","0.0755","0.0708","","","0.197","0.2051","","","","","","1.108","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110643","38.141","0.008","18.996","0.005","29.201","0.006","90","","115.157","0.011","90","","19150","8","153","2","153","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","Fe2C60Me5Ph5Cp2_C5v_SbCl6__PhCN","","- C112 H55 Cl6 Fe2 N Sb -","- C112 H55 Cl6 Fe2 N Sb -","- C896 H440 Cl48 Fe16 N8 Sb8 -","8","1","","Yutaka Matsuo; Kazukuni Tahara; Eiichi Nakamura","Synthesis and Electrochemistry of Double-Decker Buckyferrocenes","Journal of the American Chemical Society","2006","128","","7154","7155","10.1021/ja061175x","","x-ray","0.71073","MoKα","","0.2234","0.1558","","","0.3893","0.4413","","","","","","1.416","","","","has coordinates,has disorder","178877","2020-10-21","18:00:00",""
"4110644","33.486","0.003","16.828","0.0016","16.453","0.0007","90","","90","","90","","9271.3","1.3","143","2","143","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","Fe2C60Me10Cp2_D5d_SbCl6_2__PhCN_5","","- C57.5 H32 Cl6 Fe N2.5 Sb -","- C57.5 H32 Cl6 Fe N2.5 Sb -","- C460 H256 Cl48 Fe8 N20 Sb8 -","8","1","","Yutaka Matsuo; Kazukuni Tahara; Eiichi Nakamura","Synthesis and Electrochemistry of Double-Decker Buckyferrocenes","Journal of the American Chemical Society","2006","128","","7154","7155","10.1021/ja061175x","","x-ray","0.71073","MoKα","","0.1035","0.0838","","","0.2245","0.2508","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110645","7.4078","0.001","26.474","0.004","9.4959","0.0013","90","","98.783","0.002","90","","1840.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C84 H84 N4 O20 -","4","1","","Guosheng Liu; Shannon S. Stahl","Highly Regioselective Pd-Catalyzed Intermolecular Aminoacetoxylation of Alkenes and Evidence forcis-Aminopalladation and SN2 C-O Bond Formation","Journal of the American Chemical Society","2006","128","","7179","7181","10.1021/ja061706h","","","0.71073","Mo-Kα","","0.074","0.0674","","","0.1619","0.1656","","","","","","1.167","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110646","7.86","0.005","10.751","0.006","12.413","0.008","102.589","0.009","103.863","0.009","105.376","0.008","936.5","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Br N O5 -","- C20 H18 Br N O5 -","- C40 H36 Br2 N2 O10 -","2","1","","Guosheng Liu; Shannon S. Stahl","Highly Regioselective Pd-Catalyzed Intermolecular Aminoacetoxylation of Alkenes and Evidence forcis-Aminopalladation and SN2 C-O Bond Formation","Journal of the American Chemical Society","2006","128","","7179","7181","10.1021/ja061706h","","","0.71073","Mo-Kα","","0.0367","0.0308","","","0.0831","0.0877","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110647","12.522","0.004","27.459","0.009","25.613","0.008","90","","100.535","0.006","90","","8658","5","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H87 B2 Cl4 Cu3 Fe2 N27 O18 -","- C51 H87 B2 Cl4 Cu3 Fe2 N27 O18 -","- C204 H348 B8 Cl16 Cu12 Fe8 N108 O72 -","4","1","","Cai-Feng Wang; Jing-Lin Zuo; Bart M. Bartlett; You Song; Jeffrey R. Long; Xiao-Zeng You","Symmetry-Based Magnetic Anisotropy in the Trigonal Bipyramidal Cluster [Tp2(Me3tacn)3Cu3Fe2(CN)6]4+","Journal of the American Chemical Society","2006","128","","7162","7163","10.1021/ja061788+","","","0.71073","MoKα","","0.0846","0.0531","","","0.1025","0.1086","","","","","","0.956","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110648","9.456","0.001","9.237","0.001","27.947","0.002","90","","92.97","0.01","90","","2437.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N5 O3 -","- C27 H27 N5 O3 -","- C108 H108 N20 O12 -","4","1","","Z. Jane Li; Yuriy Abramov; Jon Bordner; Jason Leonard; Ales Medek; Andrew V. Trask","Solid-State Acid-Base Interactions in Complexes of Heterocyclic Bases with Dicarboxylic Acids: Crystallography, Hydrogen Bond Analysis, and 15N NMR Spectroscopy","Journal of the American Chemical Society","2006","128","","8199","8210","10.1021/ja0541332","","","1.54178","CuKα","","0.1471","0.0665","","","0.1462","0.1924","","","","","","0.962","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110649","29.1414","0.0011","5.1132","0.0002","44.2072","0.0017","90","","103.652","0.001","90","","6401","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H36 N5 O9 -","- C33 H36 N5 O9 -","- C264 H288 N40 O72 -","8","1","","Z. Jane Li; Yuriy Abramov; Jon Bordner; Jason Leonard; Ales Medek; Andrew V. Trask","Solid-State Acid-Base Interactions in Complexes of Heterocyclic Bases with Dicarboxylic Acids: Crystallography, Hydrogen Bond Analysis, and 15N NMR Spectroscopy","Journal of the American Chemical Society","2006","128","","8199","8210","10.1021/ja0541332","","","1.54178","CuKα","","0.0781","0.0504","","","0.1313","0.1453","","","","","","0.992","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110650","12.0468","0.0018","29.239","0.004","9.9229","0.0016","90","","114.241","0.005","90","","3187","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 N5 O11 -","- C33 H35 N5 O11 -","- C132 H140 N20 O44 -","4","1","","Z. Jane Li; Yuriy Abramov; Jon Bordner; Jason Leonard; Ales Medek; Andrew V. Trask","Solid-State Acid-Base Interactions in Complexes of Heterocyclic Bases with Dicarboxylic Acids: Crystallography, Hydrogen Bond Analysis, and 15N NMR Spectroscopy","Journal of the American Chemical Society","2006","128","","8199","8210","10.1021/ja0541332","","","1.54178","CuKα","","0.0683","0.0586","","","0.163","0.1719","","","","","","0.953","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110651","4.7763","0.0004","19.0308","0.0014","19.152","0.0014","100.425","0.002","90.146","0.002","95.269","0.002","1704.6","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H35 N5 O11 -","- C35 H35 N5 O11 -","- C70 H70 N10 O22 -","2","1","","Z. Jane Li; Yuriy Abramov; Jon Bordner; Jason Leonard; Ales Medek; Andrew V. Trask","Solid-State Acid-Base Interactions in Complexes of Heterocyclic Bases with Dicarboxylic Acids: Crystallography, Hydrogen Bond Analysis, and 15N NMR Spectroscopy","Journal of the American Chemical Society","2006","128","","8199","8210","10.1021/ja0541332","","","1.54178","CuKα","","0.0843","0.0637","","","0.1698","0.1841","","","","","","1.02","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110652","9.9","0.002","12.25","0.003","14.111","0.003","89.956","0.004","85.384","0.004","87.814","0.004","1704.5","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H13 B Cl0.5 F20 O Zr -","- C37 H13 B Cl0.502 F20 O Zr -","- C74 H26 B2 Cl1.004 F40 O2 Zr2 -","2","1","","Edward J. Stoebenau; Richard F. Jordan","Nonchelated d0 Zirconium-Alkoxide-Alkene Complexes","Journal of the American Chemical Society","2006","128","","8162","8175","10.1021/ja0575225","","","0.71073","MoKα","","0.0533","0.0434","","","0.1001","0.1037","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110653","8.582","0.001","8.878","0.001","18.408","0.002","90","","102.21","0.01","90","","1370.8","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H26 Li N3 -","- C12 H26 Li N3 -","- C48 H104 Li4 N12 -","4","1","","Gideon Fraenkel; Judith Gallucci; Hua Liu","Perturbation of Conjugation in Internally Solvated Allylic Lithium Compounds: Variation of Ligand Structure. NMR and X-ray Crystallography","Journal of the American Chemical Society","2006","128","","8211","8216","10.1021/ja060272n","","","0.71073","MoKα","","0.0445","0.0366","","0.1036","","0.0988","","","1.064","","","1.106","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110654","7.446","0.001","8.187","0.001","8.583","0.002","106.77","0.01","98.97","0.01","94.35","0.01","490.79","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 Li2 N2 O2 -","- C16 H32 Li2 N2 O2 -","- C16 H32 Li2 N2 O2 -","1","0.5","","Gideon Fraenkel; Judith Gallucci; Hua Liu","Perturbation of Conjugation in Internally Solvated Allylic Lithium Compounds: Variation of Ligand Structure. NMR and X-ray Crystallography","Journal of the American Chemical Society","2006","128","","8211","8216","10.1021/ja060272n","","","0.71073","MoKα","","0.0508","0.0442","","0.1221","","0.1168","","","1.046","","","1.071","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110655","19.0259","0.0011","13.9453","0.0008","19.247","0.0012","90","","112.889","0.001","90","","4704.6","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H42 F12 N6 O5 Os P2 -","- C47 H42 F12 N6 O5 Os P2 -","- C188 H168 F48 N24 O20 Os4 P8 -","4","1","","Paul G. Hoertz; Aaron Staniszewski; Andras Marton; Gerard T. Higgins; Christopher D. Incarvito; Arnold L. Rheingold; Gerald J. Meyer","Toward Exceeding the Shockley-Queisser Limit: Photoinduced Interfacial Charge Transfer Processes that Store Energy in Excess of the Equilibrated Excited State","Journal of the American Chemical Society","2006","128","","8234","8245","10.1021/ja060470e","","","0.71073","MoKα","","0.0374","0.0331","","","0.1112","0.1169","","","","","","0.976","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110656","17.5217","0.0014","14.1894","0.0011","18.7241","0.0015","90","","96.457","0.001","90","","4625.7","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H42 F12 N6 O5 P2 Ru2 -","- C47 H42 F12 N6 O5 P2 Ru2 -","- C188 H168 F48 N24 O20 P8 Ru8 -","4","1","","Paul G. Hoertz; Aaron Staniszewski; Andras Marton; Gerard T. Higgins; Christopher D. Incarvito; Arnold L. Rheingold; Gerald J. Meyer","Toward Exceeding the Shockley-Queisser Limit: Photoinduced Interfacial Charge Transfer Processes that Store Energy in Excess of the Equilibrated Excited State","Journal of the American Chemical Society","2006","128","","8234","8245","10.1021/ja060470e","","","0.71073","MoKα","","0.078","0.0687","","","0.1953","0.2017","","","","","","1.472","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110657","5.3713","0.0011","25.738","0.005","20.962","0.004","90","","90.48","0.03","90","","2897.8","1","253","2","253","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H39 N5 O2 -","- C31 H39 N5 O2 -","- C124 H156 N20 O8 -","4","2","","Sigitas Stončius; Edvinas Orentas; Eugenius Butkus; Lars Öhrström; Ola F. Wendt; Kenneth Wärnmark","An Approach to Helical Tubular Self-Aggregation Using C2-Symmetric Self-Complementary Hydrogen-Bonding Cavity Molecules","Journal of the American Chemical Society","2006","128","","8272","8285","10.1021/ja061160z","","","0.872","synchrotron","","0.0842","0.0732","","","0.2177","0.238","","","","","","1.2","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110658","15.607","0.002","15.607","0.002","12.157","0.002","90","","90","","90","","2961.2","0.7","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C51 H104 Li4 N4 Si4 -","- C51 H104 Li4 N4 Si4 -","- C102 H208 Li8 N8 Si8 -","2","0.25","","Carsten Strohmann; Klaus Lehmen; Stefan Dilsky","A Monolithiated and Its Related 1,3-Dilithiated Allylsilane: Syntheses, Crystal Structures, and Reactivity","Journal of the American Chemical Society","2006","128","","8102","8103","10.1021/ja061286w","","","0.71073","MoKα","","0.0605","0.0476","","","0.1306","0.1388","","","","","","1.095","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110659","27.706","0.004","27.706","0.004","9.123","0.002","90","","90","","120","","6064.8","1.8","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H126 Li12 N6 Si6 -","- C66 H126 Li12 N6 Si6 -","- C198 H378 Li36 N18 Si18 -","3","0.166667","","Carsten Strohmann; Klaus Lehmen; Stefan Dilsky","A Monolithiated and Its Related 1,3-Dilithiated Allylsilane: Syntheses, Crystal Structures, and Reactivity","Journal of the American Chemical Society","2006","128","","8102","8103","10.1021/ja061286w","","","0.71073","MoKα","","0.0995","0.0566","","","0.1305","0.1422","","","","","","1.032","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110660","9.1032","0.0018","14.528","0.003","15.888","0.003","90","","102.46","0.03","90","","2051.7","0.7","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N -","- C13 H15 N -","- C104 H120 N8 -","8","2","","Norio Sakai; André Ridder; John F. Hartwig","Tropene Derivatives by Sequential Intermolecular and Transannular, Intramolecular Palladium-Catalyzed Hydroamination of Cycloheptatriene","Journal of the American Chemical Society","2006","128","","8134","8135","10.1021/ja061349a","","","0.71073","MoKα","","0.191","0.0624","","","0.1006","0.1325","","","","","","1.004","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110661","17.678","0.004","5.8367","0.0012","10.929","0.002","90","","90","","90","","1127.7","0.4","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","1","","Norio Sakai; André Ridder; John F. Hartwig","Tropene Derivatives by Sequential Intermolecular and Transannular, Intramolecular Palladium-Catalyzed Hydroamination of Cycloheptatriene","Journal of the American Chemical Society","2006","128","","8134","8135","10.1021/ja061349a","","","0.71073","MoKα","","0.0775","0.0517","","","0.1178","0.1297","","","","","","1.004","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110662","12.108","0.002","12.169","0.002","15.555","0.003","90","","110.16","0.03","90","","2151.5","0.8","253","2","253","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N O Pt S -","- C27 H21 N O Pt S -","- C108 H84 N4 O4 Pt4 S4 -","4","1","","Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu","Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands","Journal of the American Chemical Society","2006","128","","8297","8309","10.1021/ja061422x","","","0.71069","MoKα","","0.0371","0.0261","","","0.0575","0.0591","","","","","","0.985","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110663","10.947","0.002","18.146","0.004","15.211","0.003","90","","101.45","0.03","90","","2961.4","1.1","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl3 N O Pt S -","- C34 H26 Cl3 N O Pt S -","- C136 H104 Cl12 N4 O4 Pt4 S4 -","4","1","","Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu","Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands","Journal of the American Chemical Society","2006","128","","8297","8309","10.1021/ja061422x","","","0.71069","MoKα","","0.053","0.0312","","","0.0625","0.0657","","","","","","0.77","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110664","14.94","0.003","21.964","0.004","10.23","0.002","90","","91.19","0.03","90","","3356.2","1.1","253","2","253","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 Br Cl4 N O Pt S -","- C35 H28 Br Cl4 N O Pt S -","- C140 H112 Br4 Cl16 N4 O4 Pt4 S4 -","4","1","","Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu","Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands","Journal of the American Chemical Society","2006","128","","8297","8309","10.1021/ja061422x","","","0.71069","MoKα","","0.0475","0.0352","","","0.0946","0.1106","","","","","","1.061","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110665","19.297","0.004","20.031","0.004","22.204","0.004","84.07","0.03","64.23","0.03","72.66","0.03","7374","3","253","2","253","2","","","","","","","","6","P -1","-P 1","2","","","","- C161 H122 Cl18 N4 P4 Pt4 -","- C161 H122 Cl18 N4 P4 Pt4 -","- C322 H244 Cl36 N8 P8 Pt8 -","2","1","","Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu","Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands","Journal of the American Chemical Society","2006","128","","8297","8309","10.1021/ja061422x","","","0.71073","MoKα","","0.0995","0.059","","","0.1539","0.1708","","","","","","0.908","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110666","19.15","0.004","19.959","0.004","22.204","0.004","84.84","0.03","64.75","0.03","74.04","0.03","7376","3","253","2","253","2","","","","","","","","6","P -1","-P 1","2","","","","- C176 H155 N4 O6.5 P4 Pt4 -","- C175.96 H135 N4 O6.49 P4 Pt4 -","- C351.92 H270 N8 O12.98 P8 Pt8 -","2","1","","Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu","Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands","Journal of the American Chemical Society","2006","128","","8297","8309","10.1021/ja061422x","","","0.71069","MoKα","","0.1098","0.0514","","","0.124","0.1684","","","","","","0.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110667","15.4978","0.002","19.3316","0.0025","21.3081","0.0025","90.556","0.011","102.217","0.009","96.998","0.011","6188.6","1.4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C75 H52 N2 P2 Pt2 -","- C75 H52 N2 P2 Pt2 -","- C300 H208 N8 P8 Pt8 -","4","2","","Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu","Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands","Journal of the American Chemical Society","2006","128","","8297","8309","10.1021/ja061422x","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.66538","","2.13","","","","","","","has coordinates,has Fobs","178877","2020-10-21","18:00:00",""
"4110668","17.3","0.004","18.041","0.004","46.692","0.009","90","","90","","90","","14573","5","253","2","253","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C89 H62 Cl6 N2 P2 Pt2 -","- C89 H62 Cl6 N2 P2 Pt2 -","- C712 H496 Cl48 N16 P16 Pt16 -","8","1","","Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu","Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands","Journal of the American Chemical Society","2006","128","","8297","8309","10.1021/ja061422x","","","0.71069","MoKα","","0.0888","0.0457","","","0.1267","0.1742","","","","","","1.114","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110669","13.915","0.003","31.731","0.006","18.321","0.004","90","","107.87","0.03","90","","7699","3","253","2","253","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C90 H64 Br2 Cl6 N2 P2 Pt2 -","- C90 H64 Br2 Cl6 N2 P2 Pt2 -","- C360 H256 Br8 Cl24 N8 P8 Pt8 -","4","1","","Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu","Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands","Journal of the American Chemical Society","2006","128","","8297","8309","10.1021/ja061422x","","","0.71069","MoKα","","0.0565","0.0373","","","0.0946","0.1119","","","","","","0.966","","","","has coordinates,has disorder","178877","2020-10-21","18:00:00",""
"4110670","23.752","0.005","14.84","0.003","22.983","0.005","90","","104.71","0.03","90","","7836","3","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C89 H58 Cl6 F4 N2 P2 Pt2 -","- C89 H56 Cl6 F4 N2 P2 Pt2 -","- C356 H224 Cl24 F16 N8 P8 Pt8 -","4","1","","Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu","Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands","Journal of the American Chemical Society","2006","128","","8297","8309","10.1021/ja061422x","","","0.71069","MoKα","","0.0894","0.0411","","","0.0992","0.1185","","","","","","0.881","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110671","13.2965","0.0006","27.6752","0.0014","19.0564","0.0009","90","","103.359","0.001","90","","6822.7","0.6","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H108 O2 Si4 Y4 -","- C60 H108 O2 Si4 Y4 -","- C240 H432 O8 Si16 Y16 -","4","1","","Takanori Shima; Zhaomin Hou","Hydrogenation of Carbon Monoxide by Tetranuclear Rare Earth Metal Polyhydrido Complexes. Selective Formation of Ethylene and Isolation of Well-Defined Polyoxo Rare Earth Metal Clusters","Journal of the American Chemical Society","2006","128","","8124","8125","10.1021/ja062348l","","","0.71073","MoKα","","0.0879","0.0367","","","0.0557","0.0614","","","","","","0.777","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110672","20.2952","0.0011","14.6232","0.0008","24.9276","0.0014","90","","111.16","0.001","90","","6899.2","0.7","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H104 O3 Si4 Y4 -","- C59 H95 O3 Si4 Y4 -","- C236 H380 O12 Si16 Y16 -","4","1","","Takanori Shima; Zhaomin Hou","Hydrogenation of Carbon Monoxide by Tetranuclear Rare Earth Metal Polyhydrido Complexes. Selective Formation of Ethylene and Isolation of Well-Defined Polyoxo Rare Earth Metal Clusters","Journal of the American Chemical Society","2006","128","","8124","8125","10.1021/ja062348l","","","0.71073","MoKα","","0.1068","0.05","","","0.1091","0.1188","","","","","","0.89","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110673","14.5263","0.0011","14.1982","0.0011","28.12","0.002","90","","95.888","0.002","90","","5769.1","0.7","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H84 Lu4 O4 Si4 -","- C48 H84 Lu4 O4 Si4 -","- C192 H336 Lu16 O16 Si16 -","4","1","","Takanori Shima; Zhaomin Hou","Hydrogenation of Carbon Monoxide by Tetranuclear Rare Earth Metal Polyhydrido Complexes. Selective Formation of Ethylene and Isolation of Well-Defined Polyoxo Rare Earth Metal Clusters","Journal of the American Chemical Society","2006","128","","8124","8125","10.1021/ja062348l","","","0.71073","MoKα","","0.0833","0.0599","","","0.1114","0.119","","","","","","1.107","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110674","18.346","0.004","8.6134","0.0016","27.741","0.006","90","","105.69","0.003","90","","4220.3","1.5","193","2","193","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H19 F3 N2 O2 S -","- C23 H19 F3 N2 O2 S -","- C184 H152 F24 N16 O16 S8 -","8","2","","Yong-Qiang Wang; Jun Song; Ran Hong; Hongming Li; Li Deng","Asymmetric Friedel-Crafts Reaction of Indoles with Imines by an Organic Catalyst","Journal of the American Chemical Society","2006","128","","8156","8157","10.1021/ja062700v","","","0.71073","MoKα","","0.0893","0.0546","","","0.1367","0.1531","","","","","","1.035","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110675","6.686","0.005","17.88","0.005","18.293","0.005","90","0.005","90.289","0.005","90","0.005","2186.8","1.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H2 F6 O -","- C3 H2 F6 O -","- C48 H32 F96 O16 -","16","8","","Albrecht Berkessel; Jens A. Adrio; Daniel Hüttenhain; Jörg M. Neudörfl","Unveiling the ""Booster Effect"" of Fluorinated Alcohol Solvents: Aggregation-Induced Conformational Changes and Cooperatively Enhanced H-Bonding","Journal of the American Chemical Society","2006","128","","8421","8426","10.1021/ja0545463","","","0.71073","MoKα","","0.1228","0.0469","","","0.1054","0.1418","","","","","","0.836","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110676","4.8815","0.0004","9.4492","0.0014","16.934","0.002","90","","90","","90","","781.1","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H7 F3 O -","- C8 H7 F3 O -","- C32 H28 F12 O4 -","4","1","","Albrecht Berkessel; Jens A. Adrio; Daniel Hüttenhain; Jörg M. Neudörfl","Unveiling the ""Booster Effect"" of Fluorinated Alcohol Solvents: Aggregation-Induced Conformational Changes and Cooperatively Enhanced H-Bonding","Journal of the American Chemical Society","2006","128","","8421","8426","10.1021/ja0545463","","","0.71073","MoKα","","0.0721","0.0331","","","0.0504","0.0564","","","","","","1.027","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110677","9.757","0.007","10.038","0.007","17.677","0.01","91.64","0.02","91.11","0.02","115.11","0.02","1566.1","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 F3 O -","- C8 H7 F3 O -","- C64 H56 F24 O8 -","8","4","","Albrecht Berkessel; Jens A. Adrio; Daniel Hüttenhain; Jörg M. Neudörfl","Unveiling the ""Booster Effect"" of Fluorinated Alcohol Solvents: Aggregation-Induced Conformational Changes and Cooperatively Enhanced H-Bonding","Journal of the American Chemical Society","2006","128","","8421","8426","10.1021/ja0545463","","","0.71073","MoKα","","0.1809","0.0884","","","0.2404","0.2756","","","","","","1.028","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110678","10.3806","0.0012","14.7084","0.0016","11.1375","0.0012","90","","112.29","0.002","90","","1573.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ethyltris(2-furyl)phosphonium iodide","","","- C14 H14 I O3 P -","- C14 H14 I O3 P -","- C56 H56 I4 O12 P4 -","4","1","","Marco Ackermann; Aurelia Pascariu; Thomas Höcher; Hans-Ullrich Siehl; Stefan Berger","Electronic Properties of Furyl Substituents at Phosphorus and Their Influence on 31P NMR Chemical Shifts","Journal of the American Chemical Society","2006","128","","8434","8440","10.1021/ja057085u","","","0.71073","MoKα","","0.0297","0.0235","","","0.0594","0.0618","","","","","","1.063","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110679","10.2558","0.0016","12.515","0.002","15.051","0.002","69.132","0.003","80.813","0.003","83.241","0.003","1778.1","0.5","220","2","220","2","","","","","","","","5","P -1","-P 1","2","ethyl(2-furyl)diphenylphosphonium iodide","","","- C37 H28 I2 O P2 -","- C37 H28 I2 O P2 -","- C74 H56 I4 O2 P4 -","2","1","","Marco Ackermann; Aurelia Pascariu; Thomas Höcher; Hans-Ullrich Siehl; Stefan Berger","Electronic Properties of Furyl Substituents at Phosphorus and Their Influence on 31P NMR Chemical Shifts","Journal of the American Chemical Society","2006","128","","8434","8440","10.1021/ja057085u","","","0.71073","MoKα","","0.0679","0.0514","","","0.1195","0.1295","","","","","","1.048","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110680","14.283","0.002","11.5693","0.0017","20.138","0.003","90","","90","","90","","3327.7","0.8","293","2","220","2","","","","","","","","5","P c a 21","P 2c -2ac","29","ethylbis(2-furyl)phenylphosphonium iodide","","","- C16 H16 I O2 P -","- C16 H16 I O2 P -","- C128 H128 I8 O16 P8 -","8","2","","Marco Ackermann; Aurelia Pascariu; Thomas Höcher; Hans-Ullrich Siehl; Stefan Berger","Electronic Properties of Furyl Substituents at Phosphorus and Their Influence on 31P NMR Chemical Shifts","Journal of the American Chemical Society","2006","128","","8434","8440","10.1021/ja057085u","","","0.71073","MoKα","","0.035","0.0303","","","0.0704","0.0731","","","","","","1.107","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110681","3.6221","0.0004","6.8322","0.0007","9.1294","0.001","90","","99.298","0.009","90","","222.96","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 N4 O2 -","- C2 H6 N4 O2 -","- C4 H12 N8 O4 -","2","0.5","","Shinbyoung Ahn; Fang Guo; Benson M. Kariuki; Kenneth D. M. Harris","Abundant Polymorphism in a System with Multiple Hydrogen-Bonding Opportunities: Oxalyl Dihydrazide","Journal of the American Chemical Society","2006","128","","8441","8452","10.1021/ja0573155","","","1.54178","CuKα","","0.0319","0.0306","","","0.0884","0.0903","","","","","","1.152","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110682","3.762","0.004","11.652","0.005","5.619","0.002","90","","92.793","0.005","90","","246","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 N4 O2 -","- C2 H6 N4 O2 -","- C4 H12 N8 O4 -","2","0.5","","Shinbyoung Ahn; Fang Guo; Benson M. Kariuki; Kenneth D. M. Harris","Abundant Polymorphism in a System with Multiple Hydrogen-Bonding Opportunities: Oxalyl Dihydrazide","Journal of the American Chemical Society","2006","128","","8441","8452","10.1021/ja0573155","","","0.71069","MoKα","","0.1055","0.089","","","0.2046","0.2256","","","","","","1.245","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110683","5.0795","0.0004","14.6679","0.0014","7.0345","0.0007","90","","114.16","0.006","90","","478.2","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 N4 O2 -","- C2 H6 N4 O2 -","- C8 H24 N16 O8 -","4","1","","Shinbyoung Ahn; Fang Guo; Benson M. Kariuki; Kenneth D. M. Harris","Abundant Polymorphism in a System with Multiple Hydrogen-Bonding Opportunities: Oxalyl Dihydrazide","Journal of the American Chemical Society","2006","128","","8441","8452","10.1021/ja0573155","","","1.54178","CuKα","","0.0658","0.0436","","","0.1029","0.1133","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110684","3.6608","0.0005","14.55","0.002","5.0646","0.0008","90","","119.006","0.009","90","","235.93","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 N4 O2 -","- C2 H6 N4 O2 -","- C4 H12 N8 O4 -","2","0.5","","Shinbyoung Ahn; Fang Guo; Benson M. Kariuki; Kenneth D. M. Harris","Abundant Polymorphism in a System with Multiple Hydrogen-Bonding Opportunities: Oxalyl Dihydrazide","Journal of the American Chemical Society","2006","128","","8441","8452","10.1021/ja0573155","","","1.54178","CuKα","","0.0488","0.0374","","","0.0884","0.0951","","","","","","1.101","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110685","5.3642","0.0003","3.8412","0.0002","12.3191","0.0006","90","","108.999","0.003","90","","240.01","0.02","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 N4 O2 -","- C2 H6 N4 O2 -","- C4 H12 N8 O4 -","2","0.5","","Shinbyoung Ahn; Fang Guo; Benson M. Kariuki; Kenneth D. M. Harris","Abundant Polymorphism in a System with Multiple Hydrogen-Bonding Opportunities: Oxalyl Dihydrazide","Journal of the American Chemical Society","2006","128","","8441","8452","10.1021/ja0573155","","","1.54178","CuKα","","0.0391","0.036","","","0.0967","0.103","","","","","","1.102","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110686","21.5681","0.0008","13.868","0.0005","16.4697","0.0006","90","","90","","90","","4926.2","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H41 B11 I11 N -","- C25 H44.22 B11 I11 N2 -","- C100 H176.88 B44 I44 N8 -","4","0.5","","Evgenii S. Stoyanov; Kee-Chan Kim; Christopher A. Reed","An Infrared νNH Scale for Weakly Basic Anions. Implications for Single-Molecule Acidity and Superacidity","Journal of the American Chemical Society","2006","128","","8500","8508","10.1021/ja060714v","","","0.71073","MoKα","","0.0379","0.0304","","","0.0676","0.0697","","","","","","1.066","","","","has coordinates,has disorder","178877","2020-10-21","18:00:00",""
"4110687","4.0139","0.0002","4.0139","0.0002","17.1663","0.0009","90","","90","","90","","276.57","0.02","240","2","240","2","","","","","","","synthesis as described","5","I 4/m m m","-I 4 2","139","Strontium manganese copper oxysulfide","","","- Cu2.96 Mn2 O4 S4 Sr4 -","- Cu2.956 Mn2 O4 S4 Sr4 -","- Cu2.956 Mn2 O4 S4 Sr4 -","1","0.03125","","Zoltán A. Gál; Oliver J. Rutt; Catherine F. Smura; Timothy P. Overton; Nicolas Barrier; Simon J. Clarke; Joke Hadermann","Structural Chemistry and Metamagnetism of an Homologous Series of Layered Manganese Oxysulfides","Journal of the American Chemical Society","2006","128","","8530","8540","10.1021/ja060892o","","x-ray","0.71073","MoKα","","0.0202","0.0194","","","0.0387","0.039","","","","","","1.225","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110688","4.0217","0.0001","4.0217","0.0001","11.418","0.0003","90","","90","","90","","184.676","0.008","293","2","293","2","","","","","","","synthesis as described","5","P 4/m m m","-P 4 2","123","Compound X","","","- Cu3.42 Mn O2 S3 Sr2 -","- Cu3.424 Mn O2 S3 Sr2 -","- Cu3.424 Mn O2 S3 Sr2 -","1","0.0625","","Zoltán A. Gál; Oliver J. Rutt; Catherine F. Smura; Timothy P. Overton; Nicolas Barrier; Simon J. Clarke; Joke Hadermann","Structural Chemistry and Metamagnetism of an Homologous Series of Layered Manganese Oxysulfides","Journal of the American Chemical Society","2006","128","","8530","8540","10.1021/ja060892o","","x-ray","0.71073","MoKα","","0.0213","0.0182","","","0.0391","0.0407","","","","","","1.1","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110689","4.0057","0.0002","4.0057","0.0002","28.296","0.0016","90","","90","","90","","454.03","0.04","293","2","293","2","","","","","","","synthesis as described","5","I 4/m m m","-I 4 2","139","Compound X","","","- Cu10.41 Mn2 O4 S8 Sr4 -","- Cu10.408 Mn2 O4 S8 Sr4 -","- Cu10.408 Mn2 O4 S8 Sr4 -","1","0.03125","","Zoltán A. Gál; Oliver J. Rutt; Catherine F. Smura; Timothy P. Overton; Nicolas Barrier; Simon J. Clarke; Joke Hadermann","Structural Chemistry and Metamagnetism of an Homologous Series of Layered Manganese Oxysulfides","Journal of the American Chemical Society","2006","128","","8530","8540","10.1021/ja060892o","","x-ray","0.71073","MoKα","","0.0291","0.0231","","","0.0549","0.0578","","","","","","1.128","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110690","28.2144","0.0015","5.6837","0.0003","5.6898","0.0003","90","","90","","90","","912.43","0.08","150","2","150","2","","","","","","","synthesis as described","5","C m c a","-C 2ac 2","64","Compound X","","","- Cu22.09 Mn4 O8 S16 Sr8 -","- Cu22.088 Mn4 O8 S16 Sr8 -","- Cu22.088 Mn4 O8 S16 Sr8 -","1","","","Zoltán A. Gál; Oliver J. Rutt; Catherine F. Smura; Timothy P. Overton; Nicolas Barrier; Simon J. Clarke; Joke Hadermann","Structural Chemistry and Metamagnetism of an Homologous Series of Layered Manganese Oxysulfides","Journal of the American Chemical Society","2006","128","","8530","8540","10.1021/ja060892o","","x-ray","0.71073","MoKα","","0.0637","0.0359","","","0.076","0.085","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110691","4.0177","0.0001","4.0177","0.0001","40.0019","0.0009","90","","90","","90","","645.71","0.03","293","2","293","2","","","","","","","synthesis as described","5","I 4/m m m","-I 4 2","139","Compound X","","","- Cu9.87 Mn4 O8 S10 Sr8 -","- Cu9.872 Mn4 O8 S10 Sr8 -","- Cu9.872 Mn4 O8 S10 Sr8 -","1","0.03125","","Zoltán A. Gál; Oliver J. Rutt; Catherine F. Smura; Timothy P. Overton; Nicolas Barrier; Simon J. Clarke; Joke Hadermann","Structural Chemistry and Metamagnetism of an Homologous Series of Layered Manganese Oxysulfides","Journal of the American Chemical Society","2006","128","","8530","8540","10.1021/ja060892o","","x-ray","0.71073","MoKα","","0.0223","0.0199","","","0.0451","0.0463","","","","","","1.037","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110692","10.817","0.002","28.533","0.006","17.917","0.004","90","","97.07","0.03","90","","5488","2","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H88 Li2 N2 O4 Zr -","- C56 H88 Li2 N2 O4 Zr -","- C224 H352 Li8 N8 O16 Zr4 -","4","1","","Mason R. Haneline; Alan F. Heyduk","C-C Bond-Forming Reductive Elimination from a Zirconium(IV) Redox-Active Ligand Complex","Journal of the American Chemical Society","2006","128","","8410","8411","10.1021/ja061107a","","","0.71073","MoKα","","0.0847","0.0453","","","0.0931","0.1116","","","","","","1.07","","","","has coordinates,has disorder","178877","2020-10-21","18:00:00",""
"4110693","9.7146","0.0019","31.482","0.006","16.446","0.003","90","","97.43","0.03","90","","4987.5","1.7","163","2","163","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H84 Li2 N2 O4 Zr -","- C46 H84 Li2 N2 O4 Zr -","- C184 H336 Li8 N8 O16 Zr4 -","4","1","","Mason R. Haneline; Alan F. Heyduk","C-C Bond-Forming Reductive Elimination from a Zirconium(IV) Redox-Active Ligand Complex","Journal of the American Chemical Society","2006","128","","8410","8411","10.1021/ja061107a","","","0.71073","MoKα","","0.0416","0.032","","","0.0716","0.0761","","","","","","1.028","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110694","14.505","0.003","14.878","0.003","19.855","0.004","85.052","0.003","86.758","0.003","61.016","0.003","3733.7","1.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Sc3N@C80(D5h).NiOEP.2benzene","","","- C128 H56 N5 Ni Sc3 -","- C128 H56 N5 Ni Sc3 -","- C256 H112 N10 Ni2 Sc6 -","2","1","","Ting Cai; Liaosa Xu; Mark R. Anderson; Zhongxin Ge; Tianming Zuo; Xuelei Wang; Marilyn M. Olmstead; Alan L. Balch; Harry W. Gibson; Harry C. Dorn","Structure and Enhanced Reactivity Rates of the D5h Sc3N@C80 and Lu3N@C80 Metallofullerene Isomers: The Importance of the Pyracylene Motif","Journal of the American Chemical Society","2006","128","","8581","8589","10.1021/ja0615573","","","0.71073","MoKα","","0.1124","0.0524","","","0.1151","0.1235","","","","","","0.864","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110695","6.2995","0.0013","7.6709","0.0015","26.378","0.005","90","","90","","90","","1274.7","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Phil S. Baran; Benjamin D. Hafensteiner; Narendra B. Ambhaikar; Carlos A. Guerrero; John D. Gallagher","Enantioselective Total Synthesis of Avrainvillamide and the Stephacidins","Journal of the American Chemical Society","2006","128","","8678","8693","10.1021/ja061660s","","","0.71073","MoKα","","0.0449","0.0374","","","0.0791","0.0828","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110696","13.869","0.003","7.4858","0.0015","14.598","0.003","90","","103.32","0.03","90","","1474.8","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H37 N3 O8 -","- C29 H37 N3 O8 -","- C58 H74 N6 O16 -","2","1","","Phil S. Baran; Benjamin D. Hafensteiner; Narendra B. Ambhaikar; Carlos A. Guerrero; John D. Gallagher","Enantioselective Total Synthesis of Avrainvillamide and the Stephacidins","Journal of the American Chemical Society","2006","128","","8678","8693","10.1021/ja061660s","","","0.71073","MoKα","","0.2418","0.0751","","","0.0983","0.1469","","","","","","0.956","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110697","16.442","0.001","16.5926","0.001","22.4396","0.0014","90","","90","","90","","6121.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H34 Cl2 N2 Ru -","- C30 H34 Cl2 N2 Ru -","- C240 H272 Cl16 N16 Ru8 -","8","1","","Donde R. Anderson; Daniel D. Hickstein; Daniel J. O'Leary; Robert H. Grubbs","Model Compounds of Ruthenium-Alkene Intermediates in Olefin Metathesis Reactions","Journal of the American Chemical Society","2006","128","","8386","8387","10.1021/ja0618090","","","0.71073","MoKα","","0.1032","0.0477","","","0.0656","0.068","","","","","","1.507","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4110698","6.3968","0.0002","14.9728","0.0007","16.0696","0.0005","90","","90.262","0.003","90","","1539.1","0.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 B7 Mn O3 -","- C12 H14 B7 Mn O3 -","- C48 H56 B28 Mn4 O12 -","4","1","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71069","MoKα","","0.0391","0.0365","","0.0961","0.0942","","","","1.058","1.069","1.069","","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110699","6.3488","0.0004","15.1333","0.0011","16.1255","0.0013","90","","90.467","0.001","90","","1549.26","0.19","143","1","143","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 B7 O3 Re -","- C12 H14 B7 O3 Re -","- C48 H56 B28 O12 Re4 -","4","1","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71069","MoKα","","0.0341","0.0315","","","0.0807","0.0829","","","","","","1.069","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110700","8.8158","0.0004","10.9388","0.0007","11.7103","0.0008","81.681","0.005","76.353","0.005","74.378","0.004","1052.87","0.11","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C17 H23 B7 Mn N O3 -","- C17 H23 B7 Mn N O3 -","- C34 H46 B14 Mn2 N2 O6 -","2","1","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71069","MoKα","","0.0539","0.0468","","","0.1355","0.1427","","","","","","1.086","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110701","8.8235","0.0008","11.0776","0.0011","11.7486","0.0011","81.348","0.007","75.948","0.007","72.778","0.006","1060.21","0.18","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C17 H23 B7 N O3 Re -","- C17 H23 B7 N O3 Re -","- C34 H46 B14 N2 O6 Re2 -","2","1","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71069","MoKα","","0.0288","0.0259","","","0.0613","0.0634","","","","","","1.093","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110702","24.732","0.002","9.4221","0.0008","17.6886","0.0017","90","","92.614","0.002","90","","4117.6","0.6","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 B7 N O2 Re -","- C16 H23 B7 N O2 Re -","- C128 H184 B56 N8 O16 Re8 -","8","2","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71069","MoKα","","0.03","0.0249","","","0.0552","0.0583","","","","","","1.011","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110703","14.7077","0.0011","10.1293","0.0008","14.4052","0.0013","90","","112.496","0.002","90","","1982.8","0.3","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 B7 Mn O2 P -","- C14 H23 B7 Mn O2 P -","- C56 H92 B28 Mn4 O8 P4 -","4","1","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71069","MoKα","","0.0437","0.036","","","0.075","0.0789","","","","","","1.08","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110704","13.6131","0.0016","10.8102","0.001","20.42","0.002","90","","108.144","0.001","90","","2855.6","0.5","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 B7 Mn O2 P -","- C29 H29 B7 Mn O2 P -","- C116 H116 B28 Mn4 O8 P4 -","4","1","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71069","MoKα","","0.0694","0.0485","","","0.1403","0.1992","","","","","","1.108","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110705","6.749","0.002","9.771","0.004","15.203","0.005","81.27","0.02","80.65","0.02","83.46","0.02","973.7","0.6","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H23 B7 O2 P Re -","- C14 H23 B7 O2 P Re -","- C28 H46 B14 O4 P2 Re2 -","2","1","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71069","MoKα","","0.0224","0.0202","","","0.0433","0.0444","","","","","","1.097","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110706","13.8587","0.0011","10.8412","0.0009","20.6732","0.0016","90","","109.562","0.001","90","","2926.8","0.4","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 B7 O2 P Re -","- C29 H29 B7 O2 P Re -","- C116 H116 B28 O8 P4 Re4 -","4","1","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71069","MoKα","","0.0284","0.025","","","0.0585","0.0615","","","","","","1.062","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110707","15.0215","0.0007","11.8681","0.0005","13.6068","0.0006","90","","96.46","0.001","90","","2410.37","0.19","143","1","143","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H32 B7 O2 P2 Re -","- C17 H32 B7 O2 P2 Re -","- C68 H128 B28 O8 P8 Re4 -","4","1","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71073","MoKα","","0.0774","0.0549","","","0.1471","0.1686","","","","","","1.112","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110708","11.1322","0.0007","17.1778","0.0012","24.5691","0.0018","90","","90","","90","","4698.3","0.6","143","1","143","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H32 B7 O P2 Re -","- C16 H32 B7 O P2 Re -","- C128 H256 B56 O8 P16 Re8 -","8","1","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71069","MoKα","","0.0571","0.0273","","","0.0455","0.0517","","","","","","0.841","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110709","33.5715","0.0007","33.5715","0.0007","68.2468","0.0014","90","","90","","90","","76917","3","153","2","153","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C640 H1072 Cu24 N32 O176 -","- C524 H768 Cu24 N4 O144 -","- C2096 H3072 Cu96 N16 O576 -","4","0.25","","Hiroyasu Furukawa; Jaheon Kim; Katherine E. Plass; Omar M. Yaghi","Crystal Structure, Dissolution, and Deposition of a 5 nm Functionalized Metal-Organic Great Rhombicuboctahedron","Journal of the American Chemical Society","2006","128","","8398","8399","10.1021/ja062491e","","","0.71073","MoKα","","0.183","0.1178","","","0.3336","0.3641","","","","","","1.066","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110710","23.22","0.005","8.3011","0.0017","11.212","0.002","90","","90","","90","","2161.1","0.7","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C22 H22 Br N O6 S -","- C22 H22 Br N O6 S -","- C88 H88 Br4 N4 O24 S4 -","4","1","","Ming He; Justin R. Struble; Jeffrey W. Bode","Highly Enantioselective Azadiene Diels-Alder Reactions Catalyzed by Chiral N-Heterocyclic Carbenes","Journal of the American Chemical Society","2006","128","","8418","8420","10.1021/ja062707c","","","0.71073","MoKα","","0.2414","0.0816","","","0.1429","0.1781","","","","","","1.087","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110711","9.75","0.004","15.374","0.006","19.369","0.011","96.84","0.03","95.38","0.04","90.8","0.03","2869","2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","Hexakis(4-methylethylamino-phenyl)benzene, dichloromethane solvate","","- C62 H76 Cl4 N6 -","- C62 H76 Cl4 N6 -","- C124 H152 Cl8 N12 -","2","1","","Sergiy V. Rosokha; Ivan S. Neretin; Duoli Sun; Jay K. Kochi","Very Fast Electron Migrations within p-Doped Aromatic Cofacial Arrays Leading to Three-Dimensional (Toroidal) π-Delocalization","Journal of the American Chemical Society","2006","128","","9394","9407","10.1021/ja060393n","","","0.71073","MoKα","","0.1814","0.0782","","","0.198","0.2304","","","","","","0.873","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110712","9.3616","0.0006","18.6148","0.0011","18.8933","0.0011","63.621","0.001","84.051","0.001","78.052","0.001","2885.4","0.3","123","2","123","2","","","","","","","synthesis","4","P -1","-P 1","2","","Hexakis(4-diethylamino-phenyl)benzene, dichloromethane solvate","","- C66.08 H84.16 Cl0.16 N6 -","- C66.082 H84.164 Cl0.164 N6 -","- C132.164 H168.328 Cl0.328 N12 -","2","1","","Sergiy V. Rosokha; Ivan S. Neretin; Duoli Sun; Jay K. Kochi","Very Fast Electron Migrations within p-Doped Aromatic Cofacial Arrays Leading to Three-Dimensional (Toroidal) π-Delocalization","Journal of the American Chemical Society","2006","128","","9394","9407","10.1021/ja060393n","","","0.71073","MoKα","","0.1262","0.0984","","0.2957","0.2573","","","","1.018","1.063","1.063","","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110713","39.292","0.002","16.3439","0.0009","40.408","0.002","90","","111.055","0.002","90","","24217","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Hexakis(N-3,6-di-n-butoxylcarbazolyl)benzene, acetonitrile solvate","","- C134 H147 N10 O12 -","- C134 H147 N10 O12 -","- C1072 H1176 N80 O96 -","8","1","","Sergiy V. Rosokha; Ivan S. Neretin; Duoli Sun; Jay K. Kochi","Very Fast Electron Migrations within p-Doped Aromatic Cofacial Arrays Leading to Three-Dimensional (Toroidal) π-Delocalization","Journal of the American Chemical Society","2006","128","","9394","9407","10.1021/ja060393n","","","0.71073","MoKα","","0.1523","0.0626","","","0.1545","0.1768","","","","","","0.897","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110714","5.6454","0.001","8.273","0.0014","12.505","0.002","87.45","0.003","84.949","0.003","74.79","0.003","561.25","0.16","213","2","213","2","","","","","","","","3","P 1","P 1","1","","","","- C24 H32 O5 -","- C24 H32 O5 -","- C24 H32 O5 -","1","1","","David A. Evans; Victor J. Cee; Sarah J. Siska","Asymmetric Induction in Methyl Ketone Aldol Additions to α-Alkoxy and α,β-Bisalkoxy Aldehydes: A Model for Acyclic Stereocontrol","Journal of the American Chemical Society","2006","128","","9433","9441","10.1021/ja061010o","","","0.71073","MoKα","","0.0491","0.0472","","","0.1281","0.1301","","","","","","1.014","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110715","8.8336","0.0005","2.83387","0.00018","10.6535","0.0007","90","","90","","90","","266.69","0.03","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Li0.46 Mn O2 -","- Li0.458335 Mn O2 -","- Li3.66668 Mn8 O16 -","8","1","","Kazunari Yamaura; Qingzhen Huang; Lianqi Zhang; Kazunori Takada; Yuji Baba; Takuro Nagai; Yoshio Matsui; Kosuke Kosuda; Eiji Takayama-Muromachi","Spinel-to-CaFe2O4-Type Structural Transformation in LiMn2O4 under High Pressure","Journal of the American Chemical Society","2006","128","","9448","9456","10.1021/ja0612302","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","178878","2020-10-21","18:00:00",""
"4110716","11.769","0.002","13.674","0.002","22.111","0.004","95.92","0.01","103.3","0.01","111.592","0.009","3149.8","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H80 N6 P2 Si5 Ta2 -","- C59 H80 N6 P2 Si5 Ta2 -","- C118 H160 N12 P4 Si10 Ta4 -","2","1","","Bruce A. MacKay; Rui F. Munha; Michael D. Fryzuk","Substituent Effects in the Hydrosilylation of Coordinated Dinitrogen in a Ditantalum Complex: Cleavage and Functionalization of N2","Journal of the American Chemical Society","2006","128","","9472","9483","10.1021/ja061508q","","","0.71073","MoKα","","0.1174","0.0591","","","0.1207","0.1361","","","","","","0.963","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110717","12.569","0.001","21.945","0.002","26.24","0.002","90","","100.075","0.006","90","","7126.1","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H87 N6 P2 Si6 Ta2 -","- C63 H87 N6 P2 Si6 Ta2 -","- C252 H348 N24 P8 Si24 Ta8 -","4","1","","Bruce A. MacKay; Rui F. Munha; Michael D. Fryzuk","Substituent Effects in the Hydrosilylation of Coordinated Dinitrogen in a Ditantalum Complex: Cleavage and Functionalization of N2","Journal of the American Chemical Society","2006","128","","9472","9483","10.1021/ja061508q","","","0.71069","MoKα","","0.0986","0.0618","","","0.1462","0.1555","","","","","","1.104","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110718","14.825","0.006","29.26","0.03","15.831","0.008","90","","95.262","0.013","90","","6838","8","293","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 N6 O0 P2 Si5 Ta2 -","- C58 H67 N6 O P2 Si5 Ta2 -","- C232 H268 N24 O4 P8 Si20 Ta8 -","4","1","","Bruce A. MacKay; Rui F. Munha; Michael D. Fryzuk","Substituent Effects in the Hydrosilylation of Coordinated Dinitrogen in a Ditantalum Complex: Cleavage and Functionalization of N2","Journal of the American Chemical Society","2006","128","","9472","9483","10.1021/ja061508q","","","0.71073","MoKα","","0.0865","0.0705","","","0.1552","0.1682","","","","","","1.132","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110719","12.8753","0.0008","22.779","0.001","21.855","0.002","90","","92.748","0.006","90","","6402.4","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 N6 P2 Si6 Ta2 -","- C60 H72 N6 P2 Si6 Ta2 -","- C240 H288 N24 P8 Si24 Ta8 -","4","1","","Bruce A. MacKay; Rui F. Munha; Michael D. Fryzuk","Substituent Effects in the Hydrosilylation of Coordinated Dinitrogen in a Ditantalum Complex: Cleavage and Functionalization of N2","Journal of the American Chemical Society","2006","128","","9472","9483","10.1021/ja061508q","","","0.71073","MoKα","","0.0843","0.0398","","","0.0664","0.0746","","","","","","0.895","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110720","11.8419","0.0007","11.9083","0.0008","23.138","0.001","77.6","0.005","86.566","0.005","78.906","0.005","3126.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H82 N6 P2 Si7 Ta2 -","- C54 H82 N6 P2 Si7 Ta2 -","- C108 H164 N12 P4 Si14 Ta4 -","2","1","","Bruce A. MacKay; Rui F. Munha; Michael D. Fryzuk","Substituent Effects in the Hydrosilylation of Coordinated Dinitrogen in a Ditantalum Complex: Cleavage and Functionalization of N2","Journal of the American Chemical Society","2006","128","","9472","9483","10.1021/ja061508q","","","0.71073","MoKα","","0.0693","0.0453","","","0.1037","0.1124","","","","","","0.984","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110721","20.58","0.001","12.4542","0.0007","21.982","0.001","90","","100.08","0.005","90","","5547.2","0.5","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C50 H65 N6 P2 Si6 Ta2 -","- C50 H65 N6 P2 Si6 Ta2 -","- C200 H260 N24 P8 Si24 Ta8 -","4","1","","Bruce A. MacKay; Rui F. Munha; Michael D. Fryzuk","Substituent Effects in the Hydrosilylation of Coordinated Dinitrogen in a Ditantalum Complex: Cleavage and Functionalization of N2","Journal of the American Chemical Society","2006","128","","9472","9483","10.1021/ja061508q","","","0.71069","MoKα","","0.1","0.0762","","","0.1523","0.1581","","","","","","1.295","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110722","12.0192","0.0011","12.6626","0.001","20.0047","0.0015","99.617","0.003","95.079","0.004","99.602","0.004","2938.5","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H72 N6 P2 Si5 Ta2 -","- C55 H72 N6 P2 Si5 Ta2 -","- C110 H144 N12 P4 Si10 Ta4 -","2","1","","Bruce A. MacKay; Rui F. Munha; Michael D. Fryzuk","Substituent Effects in the Hydrosilylation of Coordinated Dinitrogen in a Ditantalum Complex: Cleavage and Functionalization of N2","Journal of the American Chemical Society","2006","128","","9472","9483","10.1021/ja061508q","","","0.71073","MoKα","","0.0552","0.0421","","","0.0954","0.1043","","","","","","1.11","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110723","12.715","0.005","21.471","0.012","24.07","0.016","90","","104.354","0.019","90","","6366","6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H74 N6 P2 Si5 Ta2 -","- C56 N6 P2 Si6 Ta2 -","- C224 N24 P8 Si24 Ta8 -","4","1","","Bruce A. MacKay; Rui F. Munha; Michael D. Fryzuk","Substituent Effects in the Hydrosilylation of Coordinated Dinitrogen in a Ditantalum Complex: Cleavage and Functionalization of N2","Journal of the American Chemical Society","2006","128","","9472","9483","10.1021/ja061508q","","","0.71069","MoKα","","0.0528","0.0339","","","0.0805","0.0845","","","","","","1.056","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110724","12.4117","0.0014","13.707","0.0015","19.505","0.002","89.074","0.002","75.986","0.002","80.03","0.002","3169.8","0.6","166","2","166","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H78 Ge K2 N6 O16 -","- C54 H78 Ge K2 N6 O16 -","- C108 H156 Ge2 K4 N12 O32 -","2","1","","Anna V. Davis; Timothy K. Firman; Benjamin P. Hay; Kenneth N. Raymond","d-Orbital Effects on Stereochemical Non-Rigidity: Twisted TiIV Intramolecular Dynamics","Journal of the American Chemical Society","2006","128","","9484","9496","10.1021/ja0617946","","","0.71073","MoKα","","0.0681","0.0586","","","0.1654","0.1741","","","","","","1.068","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110725","20.9569","0.0008","20.9569","0.0008","20.9569","0.0008","90","","90","","90","","9204.1","0.6","133","2","146","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C39 H54 K2 N6 O12 Ti -","- C39 H54 K2 N6 O12 Ti -","- C312 H432 K16 N48 O96 Ti8 -","8","0.333333","","Anna V. Davis; Timothy K. Firman; Benjamin P. Hay; Kenneth N. Raymond","d-Orbital Effects on Stereochemical Non-Rigidity: Twisted TiIV Intramolecular Dynamics","Journal of the American Chemical Society","2006","128","","9484","9496","10.1021/ja0617946","","","0.71073","MoKα","","0.0739","0.0546","","","0.1506","0.1663","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4110726","17.8619","0.0012","17.1753","0.0012","22.8947","0.0016","90","","106.161","0.002","90","","6746.2","0.8","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H89 N11 Na2 O17 Ti -","- C57 H89 N11 Na2 O17 Ti -","- C228 H356 N44 Na8 O68 Ti4 -","4","0.5","","Anna V. Davis; Timothy K. Firman; Benjamin P. Hay; Kenneth N. Raymond","d-Orbital Effects on Stereochemical Non-Rigidity: Twisted TiIV Intramolecular Dynamics","Journal of the American Chemical Society","2006","128","","9484","9496","10.1021/ja0617946","","","0.71073","MoKα","","0.0853","0.0552","","","0.1385","0.1553","","","","","","1.037","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110727","20.094","0.008","8.227","0.003","17.955","0.007","90","","107.859","0.008","90","","2825.2","1.9","293","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H44 N4 O7 -","- C27 H44 N4 O7 -","- C108 H176 N16 O28 -","4","1","","Adinela Cazacu; Christine Tong; Arie van der Lee; Thomas M. Fyles; Mihail Barboiu","Columnar Self-Assembled Ureido Crown Ethers: An Example of Ion-Channel Organization in Lipid Bilayers","Journal of the American Chemical Society","2006","128","","9541","9548","10.1021/ja061861w","","","0.51091","synchrotron","","0.1644","0.1066","","0.1263","0.1139","0.1139","","","","","","1.1121","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110728","13.798","0.0005","24.314","0.0014","25.605","0.0015","90","","100.336","0.003","90","","8450.7","0.8","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C255.5 H119.5 Cl5 Co2 N13.5 O8 -","- C255.5 H119.5 Cl5 Co2 N13.5 O8 -","- C511 H239 Cl10 Co4 N27 O16 -","2","0.5","","Dmitri V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Gunzi Saito; Rimma N. Lyubovskaya","Negatively Charged π-(C60-)2 Dimer with Biradical State at Room Temperature","Journal of the American Chemical Society","2006","128","","9292","9293","10.1021/ja062143c","","","0.71073","MoKα","","0.0774","0.0543","","","0.13","0.1433","","","","","","1.015","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110729","12.5935","0.0006","19.8342","0.0009","18.6469","0.0009","90","","91.107","0.001","90","","4656.8","0.4","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cp^*^~3~Y~3~(μ-Cl)3(μ3-Cl)(μ3-CH~2~)(THF)~3]","","","- C43 H71 Cl4 O3 Y3 -","- C43 H71 Cl4 O3 Y3 -","- C172 H284 Cl16 O12 Y12 -","4","1","","H. Martin Dietrich; Karl W. Törnroos; Reiner Anwander","""Ionic Carbenes"": Synthesis, Structural Characterization, and Reactivity of Rare-Earth Metal Methylidene Complexes","Journal of the American Chemical Society","2006","128","","9298","9299","10.1021/ja062523y","","","0.71073","MoKα","","0.0465","0.0307","","","0.0735","0.0798","","","","","","1.033","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110730","12.7632","0.0003","20.3687","0.0005","18.743","0.0005","90","","90.324","0.001","90","","4872.5","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cp^*^~3~La~3~(μ-Cl)3(μ3-Cl)(μ3-CH~2~)(THF)~3]","","","- C43 H71 Cl4 La3 O3 -","- C43 H71 Cl4 La3 O3 -","- C172 H284 Cl16 La12 O12 -","4","1","","H. Martin Dietrich; Karl W. Törnroos; Reiner Anwander","""Ionic Carbenes"": Synthesis, Structural Characterization, and Reactivity of Rare-Earth Metal Methylidene Complexes","Journal of the American Chemical Society","2006","128","","9298","9299","10.1021/ja062523y","","","0.71073","MoKα","","0.0394","0.0278","","","0.0685","0.0742","","","","","","1.039","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110731","67.66","0.06","7.23","0.005","5.848","0.005","90","","91.395","0.011","90","","2860","4","293","2","293","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C40 H42 -","- C40 H42 -","- C160 H168 -","4","0.5","","Hong Meng; Fangping Sun; Marc B. Goldfinger; Feng Gao; David J. Londono; Will J. Marshal; Greg S. Blackman; Kerwin D. Dobbs; Dalen E. Keys","2,6-Bis[2-(4-pentylphenyl)vinyl]anthracene: A Stable and High Charge Mobility Organic Semiconductor with Densely Packed Crystal Structure","Journal of the American Chemical Society","2006","128","","9304","9305","10.1021/ja062683+","","","0.71073","MoKα","","0.2774","0.1048","","","0.2359","0.3474","","","","","","0.939","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110732","7.3166","0.0003","7.3166","0.0003","26.1924","0.0013","90","","90","","120","","1214.3","0.09","130","2","130","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C6 H16 F6 N4 Ni3 O8 S2 -","- C6 H16 F6 N4 Ni3 O8 S2 -","- C18 H48 F18 N12 Ni9 O24 S6 -","3","0.166667","","J. N. Behera; C. N. R. Rao","A Ni2+ (S = 1) Kagome Compound Templated by 1,8-Diazacubane","Journal of the American Chemical Society","2006","128","","9334","9335","10.1021/ja063385f","","","0.71073","MoKα","","0.0343","0.0328","","0.0933","0.0924","","","","1.126","1.161","1.161","","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110733","11.5677","0.0002","20.2995","0.0003","27.9851","0.0006","90","","90","","90","","6571.4","0.2","200","","200","","","","","","","","local","6","P b c a","-P 2ac 2ab","61","","","","- C17 H28.98 B11 Br6.02 Cl2 O2 -","- C17 H28.981 B11 Br6.0194 Cl2 O2 -","- C136 H231.848 B88 Br48.1552 Cl16 O16 -","8","1","","Stephen B. Lee; Anthony C. Willis; Richard D. Webster","Synthesis of the Phenoxonium Cation of an α-Tocopherol Model Compound Crystallized with Non-Nucleophilic [B(C6F5)4]-and (CB11H6Br6)- Anions","Journal of the American Chemical Society","2006","128","","9332","9333","10.1021/ja0634268","","","0.71073","MoKα","","0.0771","0.0321","","0.0716","0.0655","0.0716","","","","","","0.7283","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110734","11.9549","0.0002","17.498","0.0004","17.3301","0.0003","90","","98.7693","0.0013","90","","3582.85","0.12","200","","200","","","","","","","","local","5","C 1 c 1","C -2yc","9","","","","- C38 H19 B F20 O2 -","- C38 H19 B F20 O2 -","- C152 H76 B4 F80 O8 -","4","1","","Stephen B. Lee; Anthony C. Willis; Richard D. Webster","Synthesis of the Phenoxonium Cation of an α-Tocopherol Model Compound Crystallized with Non-Nucleophilic [B(C6F5)4]-and (CB11H6Br6)- Anions","Journal of the American Chemical Society","2006","128","","9332","9333","10.1021/ja0634268","","","0.71073","MoKα","","0.0423","0.0316","","0.0733","0.0694","0.0733","","","","","","0.8816","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110735","9.0787","0.0002","10.7742","0.0003","13.2895","0.0003","91.1222","0.0016","103.464","0.0014","97.1591","0.0016","1252.75","0.05","200","","200","","","","","","","","local","3","P -1","-P 1","2","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","2","","Stephen B. Lee; Anthony C. Willis; Richard D. Webster","Synthesis of the Phenoxonium Cation of an α-Tocopherol Model Compound Crystallized with Non-Nucleophilic [B(C6F5)4]-and (CB11H6Br6)- Anions","Journal of the American Chemical Society","2006","128","","9332","9333","10.1021/ja0634268","","","0.71073","MoKα","","0.0553","0.0382","","0.0982","0.0927","0.0982","","","","","","0.9001","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110736","15.052","0.003","10.636","0.002","28.982","0.006","90","","97.33","0.03","90","","4601.9","1.6","230","1","230","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Uran-lithium","","","- C42 H65 Cl3 Li O2 Si2 U2 -","- C42 H65 Cl3 Li O2 Si2 U2 -","- C168 H260 Cl12 Li4 O8 Si8 U8 -","4","1","","Jiaxi Wang; Ylia Gurevich; Mark Botoshansky; Moris S. Eisen","Unique σ-Bond Metathesis of Silylalkynes Promoted by an ansa-Dimethylsilyl and Oxo-Bridged Uranium Metallocene","Journal of the American Chemical Society","2006","128","","9350","9351","10.1021/ja063443x","","","0.71073","MoKα","","0.1677","0.065","","","0.1167","0.1513","","","","","","0.944","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110737","8.3847","0.0017","15.41","0.003","9.877","0.002","90","","113.862","0.003","90","","1167.1","0.4","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 Cl2 N6 -","- C24 H26 Cl2 N6 -","- C48 H52 Cl4 N12 -","2","1","","Laura D. Shirtcliff; Austin G. Hayes; Michael M. Haley; Felix Köhler; Kirsten Hess; Rainer Herges","Biscyclization Reactions in Butadiyne- and Ethyne-Linked Triazenes and Diazenes: Concerted versus Stepwise Coarctate Cyclizations","Journal of the American Chemical Society","2006","128","","9711","9721","10.1021/ja054547v","","","0.71073","MoKα","","0.0476","0.0461","","","0.1244","0.1259","","","","","","1.047","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110738","8.4009","0.0014","9.622","0.0015","9.9493","0.0016","90","","100.323","0.0008","90","","791.2","0.2","93.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C34 H38 N2 O4 S2 -","2","1","","Yoshimitsu Nagao; Satoshi Miyamoto; Motoyuki Miyamoto; Hiroe Takeshige; Kazuhiko Hayashi; Shigeki Sano; Motoo Shiro; Kentaro Yamaguchi; Yoshihisa Sei","Highly Stereoselective Asymmetric Pummerer Reactions That Incorporate Intermolecular and Intramolecular Nonbonded S...O Interactions","Journal of the American Chemical Society","2006","128","","9722","9729","10.1021/ja056649r","","","1.54187","CuKα","","","0.0849","","","","0.1795","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110739","5.3737","0.0011","8.0001","0.0011","17.7295","0.0017","90","","94.031","0.007","90","","760.3","0.2","93.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O4 S -","- C16 H16 N2 O4 S -","- C32 H32 N4 O8 S2 -","2","1","","Yoshimitsu Nagao; Satoshi Miyamoto; Motoyuki Miyamoto; Hiroe Takeshige; Kazuhiko Hayashi; Shigeki Sano; Motoo Shiro; Kentaro Yamaguchi; Yoshihisa Sei","Highly Stereoselective Asymmetric Pummerer Reactions That Incorporate Intermolecular and Intramolecular Nonbonded S...O Interactions","Journal of the American Chemical Society","2006","128","","9722","9729","10.1021/ja056649r","","","1.54187","CuKα","","","0.034","","","","0.098","","","","","","1.129","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110740","16.0529","0.0006","16.0529","0.0006","13.3484","0.001","90","","90","","120","","2979","0.3","93.1","","","","","","","","","","","5","P 31","P 31","144","","","","- C20 H23.3333 N O3 S -","- C20 H21 N O3 S -","- C120 H126 N6 O18 S6 -","6","2","","Yoshimitsu Nagao; Satoshi Miyamoto; Motoyuki Miyamoto; Hiroe Takeshige; Kazuhiko Hayashi; Shigeki Sano; Motoo Shiro; Kentaro Yamaguchi; Yoshihisa Sei","Highly Stereoselective Asymmetric Pummerer Reactions That Incorporate Intermolecular and Intramolecular Nonbonded S...O Interactions","Journal of the American Chemical Society","2006","128","","9722","9729","10.1021/ja056649r","","","1.54187","CuKα","","","0.0476","","","","0.1173","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110741","5.739","0.0004","11.5465","0.0008","24.7603","0.0016","90","","90","","90","","1640.75","0.19","93.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","","Yoshimitsu Nagao; Satoshi Miyamoto; Motoyuki Miyamoto; Hiroe Takeshige; Kazuhiko Hayashi; Shigeki Sano; Motoo Shiro; Kentaro Yamaguchi; Yoshihisa Sei","Highly Stereoselective Asymmetric Pummerer Reactions That Incorporate Intermolecular and Intramolecular Nonbonded S...O Interactions","Journal of the American Chemical Society","2006","128","","9722","9729","10.1021/ja056649r","","","1.54187","CuKα","","","0.0453","","","","0.0826","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110742","5.7455","0.0009","16.488","0.003","20.354","0.003","90","","90","","90","","1928.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Cl O -","- C22 H23 Cl O -","- C88 H92 Cl4 O4 -","4","1","","Xian-Ming Deng; Ping Cai; Song Ye; Xiu-Li Sun; Wei-Wei Liao; Kai Li; Yong Tang; Yun-Dong Wu; Li-Xin Dai","Enantioselective Synthesis of Vinylcyclopropanes and Vinylepoxides Mediated by Camphor-Derived Sulfur Ylides: Rationale of Enantioselectivity, Scope, and Limitation","Journal of the American Chemical Society","2006","128","","9730","9740","10.1021/ja056751o","","","0.71073","MoKα","","0.1326","0.0628","","","0.1114","0.1475","","","","","","0.974","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110743","6.9897","0.0011","9.7442","0.0015","11.9069","0.0019","100.29","0.003","107.477","0.003","91.366","0.003","758.5","0.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H14 Br N -","- C18 H14 Br N -","- C36 H28 Br2 N2 -","2","2","","Xian-Ming Deng; Ping Cai; Song Ye; Xiu-Li Sun; Wei-Wei Liao; Kai Li; Yong Tang; Yun-Dong Wu; Li-Xin Dai","Enantioselective Synthesis of Vinylcyclopropanes and Vinylepoxides Mediated by Camphor-Derived Sulfur Ylides: Rationale of Enantioselectivity, Scope, and Limitation","Journal of the American Chemical Society","2006","128","","9730","9740","10.1021/ja056751o","","","0.71073","MoKα","","0.0979","0.0582","","","0.1349","0.1522","","","","","","0.839","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110744","5.8427","0.0009","12.5166","0.0018","25.536","0.004","90","","90","","90","","1867.5","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Br O -","- C24 H19 Br O -","- C96 H76 Br4 O4 -","4","1","","Xian-Ming Deng; Ping Cai; Song Ye; Xiu-Li Sun; Wei-Wei Liao; Kai Li; Yong Tang; Yun-Dong Wu; Li-Xin Dai","Enantioselective Synthesis of Vinylcyclopropanes and Vinylepoxides Mediated by Camphor-Derived Sulfur Ylides: Rationale of Enantioselectivity, Scope, and Limitation","Journal of the American Chemical Society","2006","128","","9730","9740","10.1021/ja056751o","","","0.71073","MoKα","","0.1113","0.047","","","0.0821","0.0964","","","","","","0.746","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110745","27.444","0.004","7.3176","0.0011","11.7413","0.0018","90","","94.928","0.003","90","","2349.2","0.6","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C18 H37 Br O2 S Si -","- C18 H37 Br O2 S Si -","- C72 H148 Br4 O8 S4 Si4 -","4","1","","Xian-Ming Deng; Ping Cai; Song Ye; Xiu-Li Sun; Wei-Wei Liao; Kai Li; Yong Tang; Yun-Dong Wu; Li-Xin Dai","Enantioselective Synthesis of Vinylcyclopropanes and Vinylepoxides Mediated by Camphor-Derived Sulfur Ylides: Rationale of Enantioselectivity, Scope, and Limitation","Journal of the American Chemical Society","2006","128","","9730","9740","10.1021/ja056751o","","","0.71073","MoKα","","0.0791","0.0481","","","0.0945","0.1028","","","","","","0.804","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110746","10.5103","0.0005","10.6685","0.0007","11.2533","0.0007","90","","90","","90","","1261.82","0.13","208","2","208","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N O2 Rh -","- C13 H20 N O2 Rh -","- C52 H80 N4 O8 Rh4 -","4","1","","Dennis G. H. Hetterscheid; Coen Hendriksen; Wojciech I. Dzik; Jan M. M. Smits; Ernst R. H. van Eck; Alan E. Rowan; Vincenzo Busico; Michele Vacatello; Valeria Van Axel Castelli; Annalaura Segre; Erica Jellema; Tom G. Bloemberg; Bas de Bruin","Rhodium-Mediated Stereoselective Polymerization of ""Carbenes""","Journal of the American Chemical Society","2006","128","","9746","9752","10.1021/ja058722j","","","0.71073","MoKα","","0.0211","0.0203","","0.0495","0.049","0.0495","","","1.054","","","1.054","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110747","9.0881","0.0005","10.9092","0.0004","17.6478","0.0006","90","","90","","90","","1749.67","0.13","208","2","208","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Ir N O2 -","- C20 H26 Ir N O2 -","- C80 H104 Ir4 N4 O8 -","4","1","","Dennis G. H. Hetterscheid; Coen Hendriksen; Wojciech I. Dzik; Jan M. M. Smits; Ernst R. H. van Eck; Alan E. Rowan; Vincenzo Busico; Michele Vacatello; Valeria Van Axel Castelli; Annalaura Segre; Erica Jellema; Tom G. Bloemberg; Bas de Bruin","Rhodium-Mediated Stereoselective Polymerization of ""Carbenes""","Journal of the American Chemical Society","2006","128","","9746","9752","10.1021/ja058722j","","","0.71073","MoKα","","0.0137","0.0124","","0.0256","0.0252","0.0256","","","1.078","","","1.078","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110748","10.2013","0.0003","9.9992","0.0004","13.0016","0.0007","90","","109.978","0.004","90","","1246.42","0.1","208","2","208","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N O2 Rh -","- C14 H16 N O2 Rh -","- C56 H64 N4 O8 Rh4 -","4","1","","Dennis G. H. Hetterscheid; Coen Hendriksen; Wojciech I. Dzik; Jan M. M. Smits; Ernst R. H. van Eck; Alan E. Rowan; Vincenzo Busico; Michele Vacatello; Valeria Van Axel Castelli; Annalaura Segre; Erica Jellema; Tom G. Bloemberg; Bas de Bruin","Rhodium-Mediated Stereoselective Polymerization of ""Carbenes""","Journal of the American Chemical Society","2006","128","","9746","9752","10.1021/ja058722j","","","0.71073","MoKα","","0.0271","0.02","","0.0418","0.0394","0.0418","","","1.102","","","1.102","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110749","9.1192","0.0007","10.8625","0.0004","17.6706","0.0008","90","","90","","90","","1750.4","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N O2 Rh -","- C20 H26 N O2 Rh -","- C80 H104 N4 O8 Rh4 -","4","1","","Dennis G. H. Hetterscheid; Coen Hendriksen; Wojciech I. Dzik; Jan M. M. Smits; Ernst R. H. van Eck; Alan E. Rowan; Vincenzo Busico; Michele Vacatello; Valeria Van Axel Castelli; Annalaura Segre; Erica Jellema; Tom G. Bloemberg; Bas de Bruin","Rhodium-Mediated Stereoselective Polymerization of ""Carbenes""","Journal of the American Chemical Society","2006","128","","9746","9752","10.1021/ja058722j","","","0.71073","MoKα","","0.0178","0.0156","","0.0351","0.0343","0.0351","","","1.06","","","1.06","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110750","8.9672","0.0013","22.516","0.002","15.026","0.002","90","","99.725","0.015","90","","2990.2","0.7","183","2","183","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C31 H47 N3 Sn -","- C31 H47 N3 Sn -","- C124 H188 N12 Sn4 -","4","0.5","","Andrew P. Dove; Vernon C. Gibson; Edward L. Marshall; Henry S. Rzepa; Andrew J. P. White; David J. Williams","Synthetic, Structural, Mechanistic, and Computational Studies on Single-Site β-Diketiminate Tin(II) Initiators for the Polymerization of rac-Lactide","Journal of the American Chemical Society","2006","128","","9834","9843","10.1021/ja061400a","","","1.54178","CuKα","","0.0369","0.0327","","0.0841","0.081","","","","1.073","1.089","1.089","","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110751","7.2919","0.0013","10.6268","0.0009","25.237","0.003","90","","96.196","0.008","90","","1944.2","0.4","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O Sn -","- C20 H24 N2 O Sn -","- C80 H96 N8 O4 Sn4 -","4","1","","Andrew P. Dove; Vernon C. Gibson; Edward L. Marshall; Henry S. Rzepa; Andrew J. P. White; David J. Williams","Synthetic, Structural, Mechanistic, and Computational Studies on Single-Site β-Diketiminate Tin(II) Initiators for the Polymerization of rac-Lactide","Journal of the American Chemical Society","2006","128","","9834","9843","10.1021/ja061400a","","","1.54178","CuKα","","0.0811","0.0574","","","0.1416","0.1585","","","","","","1.158","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110752","7.4946","0.001","15.424","0.002","20.758","0.004","90","","93.738","0.012","90","","2394.5","0.6","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cl6 N3 Sn -","- C19 H17 Cl6 N3 Sn -","- C76 H68 Cl24 N12 Sn4 -","4","1","","Andrew P. Dove; Vernon C. Gibson; Edward L. Marshall; Henry S. Rzepa; Andrew J. P. White; David J. Williams","Synthetic, Structural, Mechanistic, and Computational Studies on Single-Site β-Diketiminate Tin(II) Initiators for the Polymerization of rac-Lactide","Journal of the American Chemical Society","2006","128","","9834","9843","10.1021/ja061400a","","","0.71073","MoKα","","0.0696","0.043","","0.1059","0.0921","","","","1.014","1.062","1.062","","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110753","11.7495","0.0019","9.8141","0.0018","16.5355","0.0019","90","","109.008","0.011","90","","1802.8","0.5","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H52 N2 O3 Sn -","- C35 H52 N2 O3 Sn -","- C70 H104 N4 O6 Sn2 -","2","1","","Andrew P. Dove; Vernon C. Gibson; Edward L. Marshall; Henry S. Rzepa; Andrew J. P. White; David J. Williams","Synthetic, Structural, Mechanistic, and Computational Studies on Single-Site β-Diketiminate Tin(II) Initiators for the Polymerization of rac-Lactide","Journal of the American Chemical Society","2006","128","","9834","9843","10.1021/ja061400a","","","0.71073","MoKα","","0.0455","0.0347","","","0.0728","0.0762","","","","","","1.009","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110754","14.9808","0.0008","10.7169","0.0004","27.4162","0.0017","90","","93.974","0.005","90","","4391","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H19 B F26 Si2 -","- C44 H19 B F26 Si2 -","- C176 H76 B4 F104 Si8 -","4","1","","Robin Panisch; Michael Bolte; Thomas Müller","Hydrogen- and Fluorine-Bridged Disilyl Cations and Their Use in Catalytic C-F Activation","Journal of the American Chemical Society","2006","128","","9676","9682","10.1021/ja061800y","","","0.71073","MoKα","","0.1416","0.0753","","","0.1143","0.1325","","","","","","1.06","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110755","10.352","0.001","13.8604","0.0013","15.6453","0.0015","85.862","0.008","85.879","0.008","74.786","0.007","2157.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H26 B F21 Si2 -","- C45 H26 B F21 Si2 -","- C90 H52 B2 F42 Si4 -","2","1","","Robin Panisch; Michael Bolte; Thomas Müller","Hydrogen- and Fluorine-Bridged Disilyl Cations and Their Use in Catalytic C-F Activation","Journal of the American Chemical Society","2006","128","","9676","9682","10.1021/ja061800y","","","0.71073","MoKα","","0.0493","0.0334","","","0.0812","0.0856","","","","","","0.914","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110756","6.1931","0.0009","20.977","0.003","23.49","0.003","90","","90","","90","","3051.6","0.7","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 O9 -","- C33 H42 O9 -","- C132 H168 O36 -","4","1","","Sang-Jin Jeon; Ethan L. Fisher; Patrick J. Carroll; Patrick J. Walsh","Direct, Stereospecific Generation of (Z)-Disubstituted Allylic Alcohols","Journal of the American Chemical Society","2006","128","","9618","9619","10.1021/ja061973n","","","0.71069","MoKα","","0.0855","0.0694","","","0.1821","0.194","","","","","","1.018","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110757","20.4678","0.0014","20.4678","0.0014","15.804","0.002","90","","90","","90","","6620.8","1.1","90","","90","","","","","","","","","5","I 41","I 4bw","80","","","","- C117 H46 N Sc3 Si2 -","- C117 H46 N Sc3 Si2 -","- C468 H184 N4 Sc12 Si8 -","4","0.5","","Takatsugu Wakahara; Yuko Iiduka; Ozora Ikenaga; Tsukasa Nakahodo; Akihiro Sakuraba; Takahiro Tsuchiya; Yutaka Maeda; Masahiro Kako; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Naomi Mizorogi; Shigeru Nagase","Characterization of the Bis-Silylated Endofullerene Sc3N@C80","Journal of the American Chemical Society","2006","128","","9919","9925","10.1021/ja062233h","","","0.71073","MoKα","","0.1501","0.1474","","","0.3787","0.3804","","","","","","1.11","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110758","6.21","0.003","11.183","0.005","19.13","0.008","90","","90.723","0.007","90","","1328.4","1","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O5 -","- C13 H14 N2 O5 -","- C52 H56 N8 O20 -","4","1","","Xin Sha; T. Scott Isbell; Rakesh P. Patel; Cynthia S. Day; S. Bruce King","Hydrolysis of Acyloxy Nitroso Compounds Yields Nitroxyl (HNO)","Journal of the American Chemical Society","2006","128","","9687","9692","10.1021/ja062365a","","","0.71073","MoKα","","0.0795","0.0631","","","0.1649","0.1767","","","","","","1.042","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110759","7.1853","0.0003","7.6605","0.0003","15.4482","0.0006","82.336","0.003","80.555","0.003","70.735","0.003","788.95","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C20 H20 Cl12 Cu2 N4 -","2","1","","Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams","Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation","Journal of the American Chemical Society","2006","128","","9584","9585","10.1021/ja0625733","","","0.71073","MoKα","","0.0438","0.0297","","","0.0637","0.0678","","","","","","0.978","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110760","7.3119","0.0004","7.7799","0.0004","15.497","0.0008","81.684","0.003","79.779","0.003","69.368","0.003","808.69","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C20 H20 Cl12 Cu2 N4 -","2","1","","Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams","Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation","Journal of the American Chemical Society","2006","128","","9584","9585","10.1021/ja0625733","","","0.71073","MoKα","","0.0484","0.0302","","","0.0666","0.0722","","","","","","1.226","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110761","3.813149","0.000051","13.70256","0.00016","12.11849","0.00019","90","","92.3372","0.0011","90","","632.663","0.015","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(3-chloropyridine)copper(II) chloride","","","- C10 H8 Cl4 Cu N2 -","- C10 H8 Cl4 Cu N2 -","- C20 H16 Cl8 Cu2 N4 -","2","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams","Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation","Journal of the American Chemical Society","2006","128","","9584","9585","10.1021/ja0625733","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","","1.903","","","","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110762","7.30931","0.00017","7.77643","0.00018","15.49792","0.00037","81.6898","0.0014","79.7745","0.0016","69.3487","0.0015","807.99","0.03","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C20 H20 Cl12 Cu2 N4 -","2","1","","Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams","Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation","Journal of the American Chemical Society","2006","128","","9584","9585","10.1021/ja0625733","powder diffraction","x-ray","1.17464","synchrotron","","","","","","","","","","1.111","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110763","7.407","0.004","7.703","0.004","15.506","0.008","82.644","0.01","79.837","0.01","68.888","0.009","810.4","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Br2 Cl4 Cu N2 -","- C10 H10 Br2 Cl4 Cu N2 -","- C20 H20 Br4 Cl8 Cu2 N4 -","2","1","","Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams","Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation","Journal of the American Chemical Society","2006","128","","9584","9585","10.1021/ja0625733","","","0.71073","MoKα","","0.0872","0.0571","","","0.1321","0.1428","","","","","","0.973","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110764","7.5702","0.0005","7.8282","0.0006","15.562","0.0011","82.064","0.004","78.89","0.004","67.093","0.004","831.54","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Br2 Cl4 Cu N2 -","- C10 H10 Br2 Cl4 Cu N2 -","- C20 H20 Br4 Cl8 Cu2 N4 -","2","1","","Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams","Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation","Journal of the American Chemical Society","2006","128","","9584","9585","10.1021/ja0625733","","","0.71073","MoKα","","0.1067","0.0557","","","0.138","0.1657","","","","","","0.994","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110765","3.88094","0.00028","13.8371","0.00092","12.16111","0.00084","90","","91.4741","0.0021","90","","652.85","0.08","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(3-bromopyridine)copper(II) chloride","","","- C10 H8 Br2 Cl2 Cu N2 -","- C10 H8 Br2 Cl2 Cu N2 -","- C20 H16 Br4 Cl4 Cu2 N4 -","2","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams","Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation","Journal of the American Chemical Society","2006","128","","9584","9585","10.1021/ja0625733","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","","2.176","","","","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110766","7.56821","0.00022","7.82283","0.00022","15.5551","0.00044","82.1012","0.0015","78.9087","0.0017","67.0878","0.0015","830.44","0.04","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Br2 Cl4 Cu N2 -","- C10 H10 Br2 Cl4 Cu N2 -","- C20 H20 Br4 Cl8 Cu2 N4 -","2","1","","Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams","Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation","Journal of the American Chemical Society","2006","128","","9584","9585","10.1021/ja0625733","powder diffraction","x-ray","1.17464","synchrotron","","","","","","","","","","1.284","","","","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110767","11.537","0.005","12.043","0.005","20.903","0.005","84.786","0.005","75.757","0.005","69.666","0.005","2639.5","1.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","05052","","","- C36 H82 Ho2 Si8 -","- C36 H82 Ho2 Si8 -","- C72 H164 Ho4 Si16 -","2","1","","Rosemary E. White; Timothy P. Hanusa; Benjamin E. Kucera","Generation of Dimethylsilylene and Allylidene Holmium Complexes from Trimethylsilylated Allyl Ligands","Journal of the American Chemical Society","2006","128","","9622","9623","10.1021/ja062646i","","","0.71069","MoKα","","0.0439","0.0302","","","0.0747","0.0819","","","","","","1.019","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110768","10.576","0.0011","11.8757","0.0013","19.561","0.002","82.54","0.002","87.94","0.002","78.29","0.002","2385.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","05099","","","- C35 H76 Ho2 O2 Si6 -","- C35 H76 Ho2 O2 Si6 -","- C70 H152 Ho4 O4 Si12 -","2","1","","Rosemary E. White; Timothy P. Hanusa; Benjamin E. Kucera","Generation of Dimethylsilylene and Allylidene Holmium Complexes from Trimethylsilylated Allyl Ligands","Journal of the American Chemical Society","2006","128","","9622","9623","10.1021/ja062646i","","","0.71073","MoKα","","0.0589","0.0411","","","0.0838","0.089","","","","","","1.015","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110769","18.186","0.007","18.186","0.007","11.706","0.006","90","","90","","90","","3872","3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C8 H24.1 N2 Ni2.5 O15.55 -","- C8 H11 N2 Ni2.5 O14.285 -","- C64 H88 N16 Ni20 O114.28 -","8","1","","Ekaterina V. Anokhina; Yong Bok Go; Yongjae Lee; Thomas Vogt; Allan J. Jacobson","Chiral Three-Dimensional Microporous Nickel Aspartate with Extended Ni-O-Ni Bonding","Journal of the American Chemical Society","2006","128","","9957","9962","10.1021/ja062743b","","","0.9223","","","0.1062","0.084","","","0.2188","0.2413","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110770","18.826","0.0009","17.267","0.001","21.406","0.0012","90","","103.633","0.003","90","","6762.4","0.6","153","2","153","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C102 H40 Fe O5 S4 -","- C102 H40 Fe O5 S4 -","- C408 H160 Fe4 O20 S16 -","4","1","","Yutaka Matsuo; Ayako Muramatsu; Yuko Kamikawa; Takashi Kato; Eiichi Nakamura","Synthesis and Structural, Electrochemical, and Stacking Properties of Conical Molecules Possessing Buckyferrocene on the Apex","Journal of the American Chemical Society","2006","128","","9586","9587","10.1021/ja062757h","","x-ray","0.71073","MoKα","","0.0938","0.0717","","","0.1976","0.2206","","","","","","1.043","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110771","17.499","0.005","18.68","0.005","21.896","0.005","64.78","0.005","88.629","0.005","73.641","0.005","6175","3","153","2","153","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","Fe_C60_C6H4OCOC6H3OR2_5_Cp","","- C168 H102 Fe O20 -","- C168 H102 Fe O20 -","- C336 H204 Fe2 O40 -","2","1","","Yutaka Matsuo; Ayako Muramatsu; Yuko Kamikawa; Takashi Kato; Eiichi Nakamura","Synthesis and Structural, Electrochemical, and Stacking Properties of Conical Molecules Possessing Buckyferrocene on the Apex","Journal of the American Chemical Society","2006","128","","9586","9587","10.1021/ja062757h","","x-ray","0.71069","MoKα","","0.1427","0.1139","","","0.329","0.3584","","","","","","1.421","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110772","12.5896","0.0011","19.4347","0.0018","13.3933","0.0012","90","","117.257","0.002","90","","2913.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H40 Br2 N2 Si -","- C29 H40 Br2 N2 Si -","- C116 H160 Br8 N8 Si4 -","4","1","","Matthias Driess; Shenglai Yao; Markus Brym; Christoph van Wüllen; Dieter Lentz","A New Type of N-Heterocyclic Silylene with Ambivalent Reactivity","Journal of the American Chemical Society","2006","128","","9628","9629","10.1021/ja062928i","","x-ray","0.71073","MoKα","","0.0274","0.0238","","","0.0637","0.0658","","","","","","1.025","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110773","18.183","0.003","20.6485","0.0017","21.68","0.003","90","","90","","90","","8139.8","1.9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H59 F3 N2 O3 S Si2 -","- C38 H59 F3 N2 O3 S Si2 -","- C304 H472 F24 N16 O24 S8 Si16 -","8","1","","Matthias Driess; Shenglai Yao; Markus Brym; Christoph van Wüllen; Dieter Lentz","A New Type of N-Heterocyclic Silylene with Ambivalent Reactivity","Journal of the American Chemical Society","2006","128","","9628","9629","10.1021/ja062928i","","","0.71073","MoKα","","0.1042","0.0651","","","0.1069","0.1171","","","","","","1.098","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110774","12.583","0.002","16.238","0.003","13.717","0.002","90","","105.047","0.004","90","","2706.6","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H40 N2 Si -","- C29 H40 N2 Si -","- C116 H160 N8 Si4 -","4","1","","Matthias Driess; Shenglai Yao; Markus Brym; Christoph van Wüllen; Dieter Lentz","A New Type of N-Heterocyclic Silylene with Ambivalent Reactivity","Journal of the American Chemical Society","2006","128","","9628","9629","10.1021/ja062928i","","","0.71073","MoKα","","0.0498","0.0398","","","0.1064","0.1201","","","","","","1.068","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110775","5.3458","0.0011","15.312","0.003","18.622","0.004","90","","90","","90","","1524.3","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Haile Zhang; Maria Mifsud; Fujie Tanaka; Carlos F. Barbas","3-Pyrrolidinecarboxylic Acid for Direct Catalytic Asymmetricanti-Mannich-Type Reactions of Unmodified Ketones","Journal of the American Chemical Society","2006","128","","9630","9631","10.1021/ja062950b","","","0.71073","MoKα","","0.0653","0.0508","","","0.1226","0.1313","","","","","","1.042","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110776","8.593","0.0017","12.377","0.003","17.909","0.004","90","","90","","90","","1904.7","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C76 H108 N4 O16 -","4","1","","Haile Zhang; Maria Mifsud; Fujie Tanaka; Carlos F. Barbas","3-Pyrrolidinecarboxylic Acid for Direct Catalytic Asymmetricanti-Mannich-Type Reactions of Unmodified Ketones","Journal of the American Chemical Society","2006","128","","9630","9631","10.1021/ja062950b","","","0.71073","MoKα","","0.0626","0.0425","","","0.1002","0.1102","","","","","","1.035","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110777","10.0707","0.0016","8.8891","0.0015","14.166","0.002","90","","104.192","0.003","90","","1229.4","0.3","173","1","173","1","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C25 H20 Cl F3 O3 P2 S -","- C25 H20 Cl F3 O3 P2 S -","- C50 H40 Cl2 F6 O6 P4 S2 -","2","1","","C. Adam Dyker; Neil Burford; Michael D. Lumsden; Andreas Decken","Acycliccatena-Diphosphinodiphosphonium Dications [R3P-PR'-PR'-PR3]2+ or Bisphosphine-Diphosphenium Complexes [R3P\ρightarrowPR'-PR'\λeftarrowPR3]2+: Synthesis by Reductive P-P Coupling of [R3P-PR'Cl]+ and Phosphine Ligand Exchange","Journal of the American Chemical Society","2006","128","","9632","9633","10.1021/ja062972y","","x-ray","0.71073","MoKα","","0.0311","0.0256","","","0.0602","0.063","","","","","","1.031","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110778","10.942","0.004","20.769","0.007","11.462","0.004","90","","113.12","0.006","90","","2395.6","1.5","173","1","173","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 F6 O6 P4 S2 -","- C50 H40 F6 O6 P4 S2 -","- C100 H80 F12 O12 P8 S4 -","2","0.5","","C. Adam Dyker; Neil Burford; Michael D. Lumsden; Andreas Decken","Acycliccatena-Diphosphinodiphosphonium Dications [R3P-PR'-PR'-PR3]2+ or Bisphosphine-Diphosphenium Complexes [R3P\ρightarrowPR'-PR'\λeftarrowPR3]2+: Synthesis by Reductive P-P Coupling of [R3P-PR'Cl]+ and Phosphine Ligand Exchange","Journal of the American Chemical Society","2006","128","","9632","9633","10.1021/ja062972y","","x-ray","0.71073","MoKα","","0.0635","0.0499","","","0.1378","0.145","","","","","","1.087","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110779","8.952","0.0014","16.597","0.003","10.0504","0.0016","90","","101.328","0.003","90","","1464.2","0.4","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 F6 O6 P4 S2 -","- C20 H28 F6 O6 P4 S2 -","- C40 H56 F12 O12 P8 S4 -","2","0.5","","C. Adam Dyker; Neil Burford; Michael D. Lumsden; Andreas Decken","Acycliccatena-Diphosphinodiphosphonium Dications [R3P-PR'-PR'-PR3]2+ or Bisphosphine-Diphosphenium Complexes [R3P\ρightarrowPR'-PR'\λeftarrowPR3]2+: Synthesis by Reductive P-P Coupling of [R3P-PR'Cl]+ and Phosphine Ligand Exchange","Journal of the American Chemical Society","2006","128","","9632","9633","10.1021/ja062972y","","x-ray","0.71073","MoKα","","0.0554","0.0479","","","0.1338","0.1393","","","","","","1.056","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4110780","6.1","0.01","7.63","0.01","10.25","0.01","87.63","0.07","78.95","0.06","77.9","0.07","457.8","1.1","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H4 Cl4 N4 S4 -","- C18 H4 Cl4 N4 S4 -","- C18 H4 Cl4 N4 S4 -","1","0.5","","Naraso; Jun-ichi Nishida; Daisuke Kumaki; Shizuo Tokito; Yoshiro Yamashita","High Performance n- and p-Type Field-Effect Transistors Based on Tetrathiafulvalene Derivatives","Journal of the American Chemical Society","2006","128","","9598","9599","10.1021/ja0630083","","","0.7107","MoKα","","","0.0841","","","","0.2184","","","","","","1.641","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110781","3.855","0.006","6.64","0.01","16.61","0.02","81.55","0.05","86.1","0.05","79.42","0.06","413","1","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H4 F4 N4 S4 -","- C18 H4 F4 N4 S4 -","- C18 H4 F4 N4 S4 -","1","0.5","","Naraso; Jun-ichi Nishida; Daisuke Kumaki; Shizuo Tokito; Yoshiro Yamashita","High Performance n- and p-Type Field-Effect Transistors Based on Tetrathiafulvalene Derivatives","Journal of the American Chemical Society","2006","128","","9598","9599","10.1021/ja0630083","","","0.7107","MoKα","","","0.055","","","","0.2132","","","","","","1.791","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110782","11.8533","0.0002","14.839","0.0002","22.509","0.0003","90","","90.652","0.001","90","","3958.88","0.1","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H69 O Si2 U -","- C39 H69 O Si2 U -","- C156 H276 O4 Si8 U4 -","4","1","","Owen T. Summerscales; F. Geoffrey N. Cloke; Peter B. Hitchcock; Jennifer C. Green; Nilay Hazari","Reductive Cyclotetramerization of CO to Squarate by a U(III) Complex: The X-ray Crystal Structure of [(U(η-C8H6{SiiPr3-1,4}2)(η-C5Me4H)]2(μ-η2:η2-C4O4)","Journal of the American Chemical Society","2006","128","","9602","9603","10.1021/ja063222r","","x-ray","0.71073","MoKα","","0.0534","0.0401","","","0.0858","0.0915","","","","","","1.102","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110783","10.9003","0.0005","13.6373","0.0007","15.7777","0.0006","68.152","0.003","74.018","0.003","73.408","0.002","2048.24","0.17","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C78 H132 O5 Si4 U2 -","- C77.992 H120.414 O5 Si4 U2 -","- C77.992 H120.414 O5 Si4 U2 -","1","0.5","","Owen T. Summerscales; F. Geoffrey N. Cloke; Peter B. Hitchcock; Jennifer C. Green; Nilay Hazari","Reductive Cyclotetramerization of CO to Squarate by a U(III) Complex: The X-ray Crystal Structure of [(U(η-C8H6{SiiPr3-1,4}2)(η-C5Me4H)]2(μ-η2:η2-C4O4)","Journal of the American Chemical Society","2006","128","","9602","9603","10.1021/ja063222r","","x-ray","0.71073","MoKα","","0.0727","0.0572","","","0.1332","0.1416","","","","","","1.042","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110784","15.2238","0.0012","15.2238","0.0012","26.683","0.003","90","","90","","120","","5355.6","0.8","100","2","100","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- C21 H17 N1.33 -","- C21 H17 N1.33333 -","- C252 H204 N16 -","12","1","","P. S. Lakshminarayanan; D. Krishna Kumar; Pradyut Ghosh","Solid State Structural Evidence of Chloroform-Benzene-Chloroform Adduct Trapped in Hexaanthryl Octaaminocryptand Channels","Journal of the American Chemical Society","2006","128","","9600","9601","10.1021/ja063228g","","","0.71073","MoKα","","0.1593","0.1042","","","0.2738","0.3069","","","","","","1.031","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110785","15.5002","0.001","15.5002","0.001","25.94","0.004","90","","90","","120","","5397.3","1","100","2","100","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C22.33 H18.33 Cl N1.33 -","- C22.3333 H18.3333 Cl N1.33333 -","- C268 H220 Cl12 N16 -","12","1","","P. S. Lakshminarayanan; D. Krishna Kumar; Pradyut Ghosh","Solid State Structural Evidence of Chloroform-Benzene-Chloroform Adduct Trapped in Hexaanthryl Octaaminocryptand Channels","Journal of the American Chemical Society","2006","128","","9600","9601","10.1021/ja063228g","","","0.71073","MoKα","","0.1498","0.08","","","0.188","0.2333","","","","","","1.014","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110786","9.2811","0.0019","15.63","0.003","15.37","0.003","90","","98.85","0.03","90","","2203.1","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H41 O P2 Rh -","- C18 H41 O P2 Rh -","- C72 H164 O4 P8 Rh4 -","4","1","","Pinjing Zhao; Christopher D. Incarvito; John F. Hartwig","Carbon-Oxygen Bond Formation between a Terminal Alkoxo Ligand and a Coordinated Olefin. Evidence for Olefin Insertion into a Rhodium Alkoxide","Journal of the American Chemical Society","2006","128","","9642","9643","10.1021/ja063347w","","","0.71073","MoKα","","0.0457","0.0324","","","0.0802","0.0852","","","","","","1.008","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110787","21.865","0.016","19.796","0.015","20.37","0.015","90","","92.539","0.013","90","","8808","11","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H119 Fe4 N8 O18 P3 -","- C78 H119 Fe4 N8 O18 P3 -","- C312 H476 Fe16 N32 O72 P12 -","4","1","","Sanjit Konar; Nattamai Bhuvanesh; Abraham Clearfield","Oxo-, Hydroxo-, and Peroxo-Bridged Fe(III) Phosphonate Cages","Journal of the American Chemical Society","2006","128","","9604","9605","10.1021/ja063388s","","","0.71073","MoKα","","0.1197","0.1045","","","0.3175","0.3506","","","","","","1.61","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110788","20.124","0.002","19.056","0.002","25.201","0.003","90","","96.567","0.002","90","","9600.7","1.8","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C99 H106 Fe4 N7 O18 P3 -","- C99 H106 Fe4 N7 O18 P3 -","- C396 H424 Fe16 N28 O72 P12 -","4","1","","Sanjit Konar; Nattamai Bhuvanesh; Abraham Clearfield","Oxo-, Hydroxo-, and Peroxo-Bridged Fe(III) Phosphonate Cages","Journal of the American Chemical Society","2006","128","","9604","9605","10.1021/ja063388s","","","0.71073","MoKα","","0.1559","0.0999","","","0.2741","0.3377","","","","","","1.174","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110789","16.034","0.002","28.485","0.004","27.23","0.004","90","","90.902","0.002","90","","12435","3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C85 H168 Fe9 O39 P3 -","- C95 H168 Fe9 O39 P3 -","- C380 H672 Fe36 O156 P12 -","4","1","","Sanjit Konar; Nattamai Bhuvanesh; Abraham Clearfield","Oxo-, Hydroxo-, and Peroxo-Bridged Fe(III) Phosphonate Cages","Journal of the American Chemical Society","2006","128","","9604","9605","10.1021/ja063388s","","","0.71073","MoKα","","0.0931","0.0706","","","0.1893","0.2201","","","","","","1.066","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110790","17.242","0.003","17.966","0.003","31.315","0.005","88.324","0.003","75.316","0.003","86.238","0.003","9363","3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C146 H177 Fe9 N8 O47 P6 -","- C146 H177 Fe9 N8 O47 P6 -","- C292 H354 Fe18 N16 O94 P12 -","2","1","","Sanjit Konar; Nattamai Bhuvanesh; Abraham Clearfield","Oxo-, Hydroxo-, and Peroxo-Bridged Fe(III) Phosphonate Cages","Journal of the American Chemical Society","2006","128","","9604","9605","10.1021/ja063388s","","","0.71073","MoKα","","0.1482","0.1193","","","0.347","0.3805","","","","","","1.514","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110791","16.0253","0.0018","23.845","0.003","24.665","0.003","90","","100.269","0.002","90","","9274.1","1.9","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65.1 H113.65 Fe6 N2.55 O28 P2 -","- C65.1 H113.65 Fe6 N2.55 O28 P2 -","- C260.4 H454.6 Fe24 N10.2 O112 P8 -","4","1","","Sanjit Konar; Nattamai Bhuvanesh; Abraham Clearfield","Oxo-, Hydroxo-, and Peroxo-Bridged Fe(III) Phosphonate Cages","Journal of the American Chemical Society","2006","128","","9604","9605","10.1021/ja063388s","","","0.71073","MoKα","","0.1401","0.0854","","","0.2344","0.2968","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110792","16.1885","0.001","17.2338","0.001","18.3734","0.0011","90","","90","","90","","5126","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H62 Mn N8 O5 U -","- C56 H62 Mn N8 O5 U -","- C224 H248 Mn4 N32 O20 U4 -","4","1","","Polly L. Arnold; Dipti Patel; Alexander J. Blake; Claire Wilson; Jason B. Love","Selective Oxo Functionalization of the Uranyl Ion with 3d Metal Cations","Journal of the American Chemical Society","2006","128","","9610","9611","10.1021/ja0634167","","","0.71073","MoKα","","0.0391","0.0335","","","0.0795","0.0833","","","","","","1.026","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110793","13.7156","0.0016","13.8208","0.0016","24.136","0.003","90","","90","","90","","4575.2","0.9","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H56 Co N8 O5 U -","- C50 H56 Co N8 O5 U -","- C200 H224 Co4 N32 O20 U4 -","4","1","","Polly L. Arnold; Dipti Patel; Alexander J. Blake; Claire Wilson; Jason B. Love","Selective Oxo Functionalization of the Uranyl Ion with 3d Metal Cations","Journal of the American Chemical Society","2006","128","","9610","9611","10.1021/ja0634167","","","0.71073","MoKα","","0.0565","0.0475","","","0.0951","0.0983","","","","","","1.16","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110794","16.0647","0.0012","13.1124","0.001","16.9283","0.0013","90","","116.825","0.002","90","","3182.2","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H52 N2 O4 Si4 U -","- C20 H52 N2 O4 Si4 U -","- C80 H208 N8 O16 Si16 U4 -","4","0.5","","Polly L. Arnold; Dipti Patel; Alexander J. Blake; Claire Wilson; Jason B. Love","Selective Oxo Functionalization of the Uranyl Ion with 3d Metal Cations","Journal of the American Chemical Society","2006","128","","9610","9611","10.1021/ja0634167","","","0.71073","MoKα","","0.0299","0.027","","","0.0754","0.0774","","","","","","1.057","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110795","12.352","0.005","10.816","0.005","12.959","0.005","90","","115.46","0.03","90","","1563.2","1.2","93.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H4 Br F9 O4 S2 -","- C10 Br F9 O4 S2 -","- C40 Br4 F36 O16 S8 -","4","1","","Masahito Ochiai; Norihiro Tada; Kentaro Murai; Satoru Goto; Motoo Shiro","Synthesis and Characterization of Bromonium Ylides and Their Unusual Ligand Transfer Reactions with N-Heterocycles","Journal of the American Chemical Society","2006","128","","9608","9609","10.1021/ja063492+","","","0.7107","MoKα","","","0.063","","","","0.203","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110796","16.4499","0.0012","10.4918","0.0007","16.6856","0.0012","90","","99.204","0.005","90","","2842.7","0.3","93.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H9 Br F21 N O4 S2 -","- C21 H9 Br F21 N O4 S2 -","- C84 H36 Br4 F84 N4 O16 S8 -","4","1","","Masahito Ochiai; Norihiro Tada; Kentaro Murai; Satoru Goto; Motoo Shiro","Synthesis and Characterization of Bromonium Ylides and Their Unusual Ligand Transfer Reactions with N-Heterocycles","Journal of the American Chemical Society","2006","128","","9608","9609","10.1021/ja063492+","","","1.54187","CuKα","","","0.065","","","","0.2136","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110797","7.1604","0.001","10.2756","0.0014","11.7586","0.0017","90","","101.268","0.003","90","","848.5","0.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 Br N2 O -","- C7 H10 Br N O2 -","- C28 H40 Br4 N4 O8 -","4","1","","Ying-Yeung Yeung; Xuri Gao; E. J. Corey","A General Process for the Haloamidation of Olefins. Scope and Mechanism","Journal of the American Chemical Society","2006","128","","9644","9645","10.1021/ja063675w","","","0.71073","MoKα","","0.033","0.0267","","","0.075","0.0778","","","","","","1.196","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110798","8.209","0.003","10.253","0.004","12.101","0.005","90","","90","","90","","1018.5","0.7","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 Br N O3 -","- C9 H12 Br N O3 -","- C36 H48 Br4 N4 O12 -","4","1","","Ying-Yeung Yeung; Xuri Gao; E. J. Corey","A General Process for the Haloamidation of Olefins. Scope and Mechanism","Journal of the American Chemical Society","2006","128","","9644","9645","10.1021/ja063675w","","","0.71073","MoKα","","0.0168","0.0164","","","0.0412","0.0415","","","","","","0.549","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110799","6.5041","0.0018","6.5732","0.0018","11.938","0.003","90","","98.567","0.003","90","","504.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl3 H12 O6 Sc -","- Cl3 H12 O6 Sc -","- Cl6 H24 O12 Sc2 -","2","0.5","","Aaron J. Rossini; Robert W. Schurko","Experimental and Theoretical Studies of 45Sc NMR Interactions in Solids","Journal of the American Chemical Society","2006","128","","10391","10402","10.1021/ja060477w","","","0.71073","MoKα","","0.0326","0.0306","","","0.0684","0.0691","","","","","","1.315","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110800","8.075","0.005","8.821","0.005","9.267","0.005","84.179","0.005","70.033","0.005","66.679","0.005","569.3","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- H10 N3 O14 Sc -","- H10 N3 O14 Sc -","- H20 N6 O28 Sc2 -","2","1","","Aaron J. Rossini; Robert W. Schurko","Experimental and Theoretical Studies of 45Sc NMR Interactions in Solids","Journal of the American Chemical Society","2006","128","","10391","10402","10.1021/ja060477w","","","0.71073","MoKα","","0.0495","0.0405","","","0.0929","0.0986","","","","","","1.149","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110801","20.171","0.003","17.38","0.002","23.304","0.003","90","","112.714","0.002","90","","7536.1","1.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H57 O6 Sc -","- C33 H57 O6 Sc -","- C264 H456 O48 Sc8 -","8","1","","Aaron J. Rossini; Robert W. Schurko","Experimental and Theoretical Studies of 45Sc NMR Interactions in Solids","Journal of the American Chemical Society","2006","128","","10391","10402","10.1021/ja060477w","","","0.71073","MoKα","","0.1668","0.0972","","","0.2028","0.2442","","","","","","1.094","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110802","7.0249","0.0007","7.0249","0.0007","19.936","0.002","90","","90","","90","","983.83","0.17","150","2","150","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C14 H12 N2 O12 Zn2 -","- C14 H4 N2 O12 Zn2 -","- C28 H8 N4 O24 Zn4 -","2","0.25","","Xiang Lin; Alexander J. Blake; Claire Wilson; Xue Zhong Sun; Neil R. Champness; Michael W. George; Peter Hubberstey; Robert Mokaya; Martin Schröder","A Porous Framework Polymer Based on a Zinc(II) 4,4'-Bipyridine-2,6,2',6'-tetracarboxylate: Synthesis, Structure, and ""Zeolite-Like"" Behaviors","Journal of the American Chemical Society","2006","128","","10745","10753","10.1021/ja060946u","","","0.71073","MoKα","","0.0488","0.0452","","","0.124","0.127","","","","","","1.09","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110803","7.0649","0.0004","7.0649","0.0004","19.775","0.002","90","","90","","90","","987.03","0.13","293","2","293","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C14 H4 N2 O8 Zn2 -","- C14 H4 N2 O8 Zn2 -","- C28 H8 N4 O16 Zn4 -","2","0.125","","Xiang Lin; Alexander J. Blake; Claire Wilson; Xue Zhong Sun; Neil R. Champness; Michael W. George; Peter Hubberstey; Robert Mokaya; Martin Schröder","A Porous Framework Polymer Based on a Zinc(II) 4,4'-Bipyridine-2,6,2',6'-tetracarboxylate: Synthesis, Structure, and ""Zeolite-Like"" Behaviors","Journal of the American Chemical Society","2006","128","","10745","10753","10.1021/ja060946u","","","0.71073","MoKα","","0.0788","0.0592","","","0.141","0.1477","","","","","","0.929","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110804","9.6484","0.0001","14.1349","0.0002","12.7697","0.0002","90","","103.026","0.0009","90","","1696.71","0.04","160","1","160","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H40 Cl2 F6 P Rh -","- C37 H40 Cl2 F6 P Rh -","- C74 H80 Cl4 F12 P2 Rh2 -","2","1","","Jay S. Siegel; Kim K. Baldridge; Anthony Linden; Reto Dorta","d8 Rhodium and Iridium Complexes of Corannulene","Journal of the American Chemical Society","2006","128","","10644","10645","10.1021/ja062110x","","","0.71073","MoKα","","0.0541","0.0422","","","0.0921","0.0984","","","","","","1.023","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110805","9.6522","0.0001","14.1639","0.0002","12.707","0.0001","90","","103.059","0.0007","90","","1692.29","0.03","160","1","160","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H40 Cl2 F6 Ir P -","- C37 H40 Cl2 F6 Ir P -","- C74 H80 Cl4 F12 Ir2 P2 -","2","1","","Jay S. Siegel; Kim K. Baldridge; Anthony Linden; Reto Dorta","d8 Rhodium and Iridium Complexes of Corannulene","Journal of the American Chemical Society","2006","128","","10644","10645","10.1021/ja062110x","","","0.71073","MoKα","","0.0262","0.024","","","0.0568","0.058","","","","","","1.037","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110806","9.8754","0.0001","18.5374","0.0003","14.7211","0.0002","90","","101.346","0.001","90","","2642.24","0.06","160","1","160","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23.5 H37.5 Cl F6 O0.25 P Rh -","- C22 H34 F6 P Rh -","- C88 H136 F24 P4 Rh4 -","4","1","","Jay S. Siegel; Kim K. Baldridge; Anthony Linden; Reto Dorta","d8 Rhodium and Iridium Complexes of Corannulene","Journal of the American Chemical Society","2006","128","","10644","10645","10.1021/ja062110x","","","0.71073","MoKα","","0.0554","0.042","","","0.1058","0.1119","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110807","8.8636","0.0001","14.9903","0.0001","26.5034","0.0002","94.3902","0.0003","97.3662","0.0003","98.6514","0.0003","3436.12","0.05","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 F6 Ir P -","- C22 H34 F6 Ir P -","- C132 H204 F36 Ir6 P6 -","6","3","","Jay S. Siegel; Kim K. Baldridge; Anthony Linden; Reto Dorta","d8 Rhodium and Iridium Complexes of Corannulene","Journal of the American Chemical Society","2006","128","","10644","10645","10.1021/ja062110x","","","0.71073","MoKα","","0.0493","0.039","","","0.0982","0.1051","","","","","","1.022","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110808","12.2377","0.0006","12.2629","0.0006","12.6562","0.0007","63.488","0.002","64.546","0.003","75.837","0.003","1531.32","0.14","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H40 Cl2 F6 P Rh -","- C31 H40 Cl2 F6 P Rh -","- C62 H80 Cl4 F12 P2 Rh2 -","2","1","","Jay S. Siegel; Kim K. Baldridge; Anthony Linden; Reto Dorta","d8 Rhodium and Iridium Complexes of Corannulene","Journal of the American Chemical Society","2006","128","","10644","10645","10.1021/ja062110x","","","0.71073","MoKα","","0.0774","0.0563","","","0.1242","0.135","","","","","","1.077","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110809","11.8311","0.0002","12.0968","0.0002","12.5093","0.0002","110.005","0.001","95.7554","0.0009","111.352","0.001","1514.23","0.05","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H40 Cl2 F6 Ir P -","- C31 H40 Cl2 F6 Ir P -","- C62 H80 Cl4 F12 Ir2 P2 -","2","1","","Jay S. Siegel; Kim K. Baldridge; Anthony Linden; Reto Dorta","d8 Rhodium and Iridium Complexes of Corannulene","Journal of the American Chemical Society","2006","128","","10644","10645","10.1021/ja062110x","","","0.71073","MoKα","","0.0501","0.0375","","","0.0827","0.0883","","","","","","1.022","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110810","9.9737","0.0001","13.6985","0.0001","18.8142","0.0002","90","","104.717","0.0005","90","","2486.16","0.04","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 F6 P Rh -","- C26 H36 F6 P Rh -","- C104 H144 F24 P4 Rh4 -","4","1","","Jay S. Siegel; Kim K. Baldridge; Anthony Linden; Reto Dorta","d8 Rhodium and Iridium Complexes of Corannulene","Journal of the American Chemical Society","2006","128","","10644","10645","10.1021/ja062110x","","","0.71073","MoKα","","0.0412","0.0331","","","0.0779","0.0826","","","","","","1.071","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110811","12.815","0.0002","24.0057","0.0003","13.1883","0.0001","90","","112.767","0.0007","90","","3741.04","0.08","160","1","160","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H47 Cl2 F6 P2 Rh -","- C38 H47 Cl2 F6 P2 Rh -","- C152 H188 Cl8 F24 P8 Rh4 -","4","1","","Jay S. Siegel; Kim K. Baldridge; Anthony Linden; Reto Dorta","d8 Rhodium and Iridium Complexes of Corannulene","Journal of the American Chemical Society","2006","128","","10644","10645","10.1021/ja062110x","","","0.71073","MoKα","","0.0762","0.0482","","","0.1172","0.1325","","","","","","1.046","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110812","10.0579","0.0016","17.848","0.003","22.642","0.004","90","","92.781","0.002","90","","4059.8","1.2","135","2","135","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Eu N9 O14 -","- C36 H44 Eu N9 O14 -","- C144 H176 Eu4 N36 O56 -","4","1","","Evan G. Moore; Jide Xu; Christoph J. Jocher; Eric J. Werner; Kenneth N. Raymond","""Cymothoe sangaris"": An Extremely Stable and Highly Luminescent 1,2-Hydroxypyridinonate Chelate of Eu(III)","Journal of the American Chemical Society","2006","128","","10648","10649","10.1021/ja062597+","","","0.71073","MoKα","","0.0412","0.0342","","","0.0766","0.0788","","","","","","1.13","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110813","17.896","0.002","19.084","0.003","17.98","0.002","90","","113.337","0.002","90","","5638.3","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H57 Co N2 O5 U -","- C46 H56 Co N2 O5 U -","- C184 H224 Co4 N8 O20 U4 -","4","1","","Anthony E. Vaughn; Daniel B. Bassil; Charles L. Barnes; Sheryl A. Tucker; Paul B. Duval","Contrasting Solvent and Capping Ligand Effects Directing the Photochemistry of Uranyl(VI) Schiff Base Complexes","Journal of the American Chemical Society","2006","128","","10656","10657","10.1021/ja062735v","","","0.71073","MoKα","","0.0862","0.046","","","0.1092","0.1228","","","","","","0.95","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110814","11.884","0.003","5.237","0.001","7.808","0.002","90","","90","","90","","485.9","0.2","","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","bismuth copper oxide vanado-phosphate","","","- Bi Cu2 O6 P0.32 V0.68 -","- Bi Cu2 O6 P0.679 V0.321 -","- Bi4 Cu8 O24 P2.716 V1.284 -","4","0.5","","Olivier Mentré; El Mostafa Ketatni; Marie Colmont; Marielle Huvé; Francis Abraham; Vaclav Petricek","Structural Features of the Modulated BiCu2(P1-xVx)O6 Solid Solution; 4-D Treatment of x=0.87 Compound and Magnetic Spin-Gap to Gapless Transition in New Cu2+ Two-Leg Ladder Systems","Journal of the American Chemical Society","2006","128","","10857","10867","10.1021/ja0631091","","","0.71073","MoKα","","0.0315","0.0266","","","0.0251","0.0257","","","","1.98","1.98","1.93","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110815","11.9736","0.0002","5.28702","0.00008","7.80964","0.00014","90","","90","","90","","494.387","0.014","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","bismuth copper oxide vanado-phosphate","","","- Bi Cu2 O6 P0.4 V0.6 -","- Bi Cu2 O6 P0.4 V0.6 -","- Bi4 Cu8 O24 P1.6 V2.4 -","4","0.5","","Olivier Mentré; El Mostafa Ketatni; Marie Colmont; Marielle Huvé; Francis Abraham; Vaclav Petricek","Structural Features of the Modulated BiCu2(P1-xVx)O6 Solid Solution; 4-D Treatment of x=0.87 Compound and Magnetic Spin-Gap to Gapless Transition in New Cu2+ Two-Leg Ladder Systems","Journal of the American Chemical Society","2006","128","","10857","10867","10.1021/ja0631091","powder diffraction","neutron","1.909","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.8946","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110816","7.745","0.003","16.065","0.006","7.513","0.003","90","","116.825","0.005","90","","834.2","0.6","193","2","193","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Cp*V(B3H8)2","Bis(octahydrotriborato)(pentamethycyclopentadienyl)vanadium(III)","","- C10 H31 B6 V -","- C10 H31 B6 V -","- C20 H62 B12 V2 -","2","0.25","","Do Young Kim; Gregory S. Girolami","Synthesis and Characterization of the Octahydrotriborate Complexes Cp*V(B3H8)2 and Cp*Cr(B3H8)2 and the Unusual Cobaltaborane Cluster Cp*2Co2(B6H14)","Journal of the American Chemical Society","2006","128","","10969","10977","10.1021/ja063285+","","","0.71073","MoKα","","0.0989","0.0697","","","0.1803","0.191","","","","","","1.115","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110817","15.517","0.003","15.489","0.003","14.462","0.003","90","","90","","90","","3475.8","1.2","193","2","193","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Cp*Cr(B3H8)2","Bis(octahydrotriborato)(pentamethylcyclopentadienyl)chromium(III)","","- C10 H31 B6 Cr -","- C10 H31 B6 Cr -","- C80 H248 B48 Cr8 -","8","1","","Do Young Kim; Gregory S. Girolami","Synthesis and Characterization of the Octahydrotriborate Complexes Cp*V(B3H8)2 and Cp*Cr(B3H8)2 and the Unusual Cobaltaborane Cluster Cp*2Co2(B6H14)","Journal of the American Chemical Society","2006","128","","10969","10977","10.1021/ja063285+","","x-ray","0.71073","MoKα","","0.0693","0.0351","","","0.0809","0.0888","","","","","","0.911","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110818","8.706","0.001","8.706","0.001","32.496","0.007","90","","90","","90","","2463","0.7","193","2","193","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Cp*2Co2(B6H14)","(Tetradecahydrohexaborato)bis(pentamethylcyclopentadienyl)dicobalt","","- C20 H44 B6 Co2 -","- C20 H44 B6 Co2 -","- C80 H176 B24 Co8 -","4","0.5","","Do Young Kim; Gregory S. Girolami","Synthesis and Characterization of the Octahydrotriborate Complexes Cp*V(B3H8)2 and Cp*Cr(B3H8)2 and the Unusual Cobaltaborane Cluster Cp*2Co2(B6H14)","Journal of the American Chemical Society","2006","128","","10969","10977","10.1021/ja063285+","","x-ray","0.71073","MoKα","","0.0661","0.0358","","","0.0575","0.0628","","","","","","0.911","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110819","8.998","0.002","11.701","0.003","11.971","0.003","109.562","0.004","91.892","0.004","92.495","0.004","1185","0.5","193","2","193","2","","","","","","","","4","P -1","-P 1","2","Cp*2Mo2B5H9","(Nonahydropentaborato)bis(pentamethylcyclorpentadienyl)dimolybdenum","","- C20 H39 B5 Mo2 -","- C20 H39 B5 Mo2 -","- C40 H78 B10 Mo4 -","2","1","","Do Young Kim; Gregory S. Girolami","Synthesis and Characterization of the Octahydrotriborate Complexes Cp*V(B3H8)2 and Cp*Cr(B3H8)2 and the Unusual Cobaltaborane Cluster Cp*2Co2(B6H14)","Journal of the American Chemical Society","2006","128","","10969","10977","10.1021/ja063285+","","x-ray","0.71073","MoKα","","0.0652","0.0357","","","0.0748","0.0806","","","","","","0.984","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110820","10.95","0.0002","10.992","0.0002","16.393","0.0004","71.5","0.001","71.165","0.001","71.625","0.001","1720.45","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 B2 F8 N6 Ni -","- C30 H36 B2 F8 N6 Ni -","- C60 H72 B4 F16 N12 Ni2 -","2","1","","Randolf Dag Köhn; Matthias Haufe; Gabriele Kociok-Köhn","Observation of Intramolecular Paramagnetic T1 Spin Decoupling in the 13C NMR Spectra of Triazacyclohexane Complexes of Ni(II)","Journal of the American Chemical Society","2006","128","","10682","10683","10.1021/ja063357x","","","0.71073","MoKα","","0.0695","0.0433","","","0.0998","0.1107","","","","","","1.023","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110821","10.8","0.0001","11.764","0.0001","14.749","0.0002","105.698","0.001","91.382","0.001","100.045","0.001","1771.3","0.03","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H33 B2 F11 N6 Ni -","- C30 H33 B2 F11 N6 Ni -","- C60 H66 B4 F22 N12 Ni2 -","2","1","","Randolf Dag Köhn; Matthias Haufe; Gabriele Kociok-Köhn","Observation of Intramolecular Paramagnetic T1 Spin Decoupling in the 13C NMR Spectra of Triazacyclohexane Complexes of Ni(II)","Journal of the American Chemical Society","2006","128","","10682","10683","10.1021/ja063357x","","","0.71073","MoKα","","0.0461","0.0392","","","0.1011","0.1055","","","","","","1.029","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110822","10.738","0.0002","11.746","0.0002","14.658","0.0002","105.623","0.0006","91.182","0.0006","100.063","0.0005","1748.63","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H33 B2 F11 N6 Zn -","- C30 H33 B2 F11 N6 Zn -","- C60 H66 B4 F22 N12 Zn2 -","2","1","","Randolf Dag Köhn; Matthias Haufe; Gabriele Kociok-Köhn","Observation of Intramolecular Paramagnetic T1 Spin Decoupling in the 13C NMR Spectra of Triazacyclohexane Complexes of Ni(II)","Journal of the American Chemical Society","2006","128","","10682","10683","10.1021/ja063357x","","","0.71073","MoKα","","0.0499","0.0405","","","0.1","0.1057","","","","","","1.03","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110823","5.137","0.005","13.604","0.003","16.472","0.002","90","","90","","90","","1151.1","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 B2 N2 -","- C14 H12 B2 N2 -","- C56 H48 B8 N8 -","4","1","","Cory A. Jaska; David J. H. Emslie; Michael J. D. Bosdet; Warren E. Piers; Ted S. Sorensen; Masood Parvez","Triphenylene Analogues with B2N2C2 Cores: Synthesis, Structure, Redox Behavior, and Photophysical Properties","Journal of the American Chemical Society","2006","128","","10885","10896","10.1021/ja063519p","","","0.71073","MoKα","","0.1446","0.0499","","","0.1019","0.1338","","","","","","0.946","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110824","9.889","0.003","13.432","0.003","13.471","0.005","90","","92.972","0.016","90","","1786.9","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 B2 N2 -","- C20 H24 B2 N2 -","- C80 H96 B8 N8 -","4","1","","Cory A. Jaska; David J. H. Emslie; Michael J. D. Bosdet; Warren E. Piers; Ted S. Sorensen; Masood Parvez","Triphenylene Analogues with B2N2C2 Cores: Synthesis, Structure, Redox Behavior, and Photophysical Properties","Journal of the American Chemical Society","2006","128","","10885","10896","10.1021/ja063519p","","","0.71073","MoKα","","0.0783","0.0511","","","0.1296","0.1481","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110825","10.152","0.003","13.871","0.004","17.069","0.006","103.001","0.018","97.733","0.016","90.595","0.018","2318.7","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 B2 N2 -","- C28 H28 B2 N2 -","- C112 H112 B8 N8 -","4","2","","Cory A. Jaska; David J. H. Emslie; Michael J. D. Bosdet; Warren E. Piers; Ted S. Sorensen; Masood Parvez","Triphenylene Analogues with B2N2C2 Cores: Synthesis, Structure, Redox Behavior, and Photophysical Properties","Journal of the American Chemical Society","2006","128","","10885","10896","10.1021/ja063519p","","","0.71073","MoKα","","0.0999","0.0553","","","0.1288","0.1546","","","","","","1.014","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110826","12.791","0.006","15.424","0.005","20.935","0.009","90","","104.071","0.018","90","","4006","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H62 B2 Co N2 O -","- C44 H62 B2 Co N2 O -","- C176 H248 B8 Co4 N8 O4 -","4","1","","Cory A. Jaska; David J. H. Emslie; Michael J. D. Bosdet; Warren E. Piers; Ted S. Sorensen; Masood Parvez","Triphenylene Analogues with B2N2C2 Cores: Synthesis, Structure, Redox Behavior, and Photophysical Properties","Journal of the American Chemical Society","2006","128","","10885","10896","10.1021/ja063519p","","","0.71073","MoKα","","0.1054","0.0546","","","0.1289","0.1552","","","","","","1.036","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110827","8.5077","0.0001","10.2834","0.0001","26.4617","0.0003","90","","90","","90","","2315.08","0.04","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 Br N3 O7 -","- C25 H18 Br N3 O7 -","- C100 H72 Br4 N12 O28 -","4","1","","Jong Uk Rhee; Michael J. Krische","Highly Enantioselective Reductive Cyclization of Acetylenic Aldehydes via Rhodium Catalyzed Asymmetric Hydrogenation","Journal of the American Chemical Society","2006","128","","10674","10675","10.1021/ja0637954","","","0.7107","MoKα","","0.0429","0.0301","","","0.0619","0.0675","","","","","","1.055","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110828","5.9234","0.0001","16.2878","0.0003","21.0361","0.0004","90","","90","","90","","2029.55","0.06","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N O4 S -","- C21 H22 Br N O4 S -","- C84 H88 Br4 N4 O16 S4 -","4","1","","Jong Uk Rhee; Michael J. Krische","Highly Enantioselective Reductive Cyclization of Acetylenic Aldehydes via Rhodium Catalyzed Asymmetric Hydrogenation","Journal of the American Chemical Society","2006","128","","10674","10675","10.1021/ja0637954","","","0.71073","MoKα","","0.0539","0.0344","","","0.0611","0.0673","","","","","","1.015","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110829","12.4523","0.0008","14.1355","0.0009","15.1817","0.0016","101.742","0.004","92.033","0.004","115.88","0.003","2330.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H62 Hf2 N4 O2 -","- C50 H62 Hf2 N4 O2 -","- C100 H124 Hf4 N8 O4 -","2","1","","Wesley H. Bernskoetter; Andrea V. Olmos; Jaime A. Pool; Emil Lobkovsky; Paul J. Chirik","N-C Bond Formation Promoted by a Hafnocene Dinitrogen Complex: Comparison of Zirconium and Hafnium Congeners","Journal of the American Chemical Society","2006","128","","10696","10697","10.1021/ja064163k","","","0.71073","MoKα","","0.0377","0.025","","","0.0547","0.0566","","","","","","1.024","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110830","22.6159","0.0016","22.4276","0.0015","10.8063","0.0007","90","","96.829","0.002","90","","5442.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H67 Hf2 N5 O3 -","- C57 H67 Hf2 N5 O3 -","- C228 H268 Hf8 N20 O12 -","4","1","","Wesley H. Bernskoetter; Andrea V. Olmos; Jaime A. Pool; Emil Lobkovsky; Paul J. Chirik","N-C Bond Formation Promoted by a Hafnocene Dinitrogen Complex: Comparison of Zirconium and Hafnium Congeners","Journal of the American Chemical Society","2006","128","","10696","10697","10.1021/ja064163k","","","0.71073","MoKα","","0.0536","0.0363","","","0.0891","0.0924","","","","","","1.042","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110831","24.108","0.014","24.108","0.014","7.745","0.005","90","","90","","120","","3898","4","133","2","133","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H15 B3 F9 N3 O3 -","- C27 H15 B3 F9 N3 O3 -","- C162 H90 B18 F54 N18 O18 -","6","0.333333","","Justin A. Riddle; Stephen P. Lathrop; John C. Bollinger; Dongwhan Lee","Schiff Base Route to Stackable Pseudo-Triphenylenes: Stereoelectronic Control of Assembly and Luminescence","Journal of the American Chemical Society","2006","128","","10986","10987","10.1021/ja061307m","","","0.71073","MoKα","","0.0835","0.0447","","","0.1008","0.1307","","","","","","1.026","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110832","7.907","0.006","14.917","0.012","15.106","0.012","65.716","0.019","89.06","0.02","81.01","0.02","1602","2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H25 B3 Cl3 F6 N3 O3 -","- C31 H25 B3 Cl3 F6 N3 O3 -","- C62 H50 B6 Cl6 F12 N6 O6 -","2","1","","Justin A. Riddle; Stephen P. Lathrop; John C. Bollinger; Dongwhan Lee","Schiff Base Route to Stackable Pseudo-Triphenylenes: Stereoelectronic Control of Assembly and Luminescence","Journal of the American Chemical Society","2006","128","","10986","10987","10.1021/ja061307m","","","0.71073","MoKα","","0.0937","0.0544","","","0.138","0.166","","","","","","1.035","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110833","16.275","0.003","15.49","0.003","20.967","0.005","90","","98.223","0.016","90","","5231.4","1.9","122","2","122","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53.3 H67.2 B3 F6 N3 O3 -","- C53.296 H67.215 B3 F6 N3 O3 -","- C213.184 H268.86 B12 F24 N12 O12 -","4","1","","Justin A. Riddle; Stephen P. Lathrop; John C. Bollinger; Dongwhan Lee","Schiff Base Route to Stackable Pseudo-Triphenylenes: Stereoelectronic Control of Assembly and Luminescence","Journal of the American Chemical Society","2006","128","","10986","10987","10.1021/ja061307m","","","0.71073","MoKα","","0.1333","0.1032","","","0.1684","0.1779","","","","","","1.178","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110834","11.0874","0.001","11.4719","0.0011","21.576","0.002","91.925","0.002","101.719","0.002","116.07","0.001","2390.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ir4(CO)8{mu-kappa2-PPh2(o-C6H4)PPh}{mu3-PPh2(eta1:eta2-o-C6H4)}","","- C50 H33 Ir4 O8 P3 -","- C50 H33 Ir4 O8 P3 -","- C100 H66 Ir8 O16 P6 -","2","1","","Bo Keun Park; Gaehang Lee; Kyoung Hoon Kim; Hongkyu Kang; Chang Yeon Lee; Md. Arzu Miah; Jaehoon Jung; Young-Kyu Han; Joon T. Park","Synthetic, Electrochemical, and Theoretical Studies of Tetrairidium Clusters Bearing Mono- and Bis[60]fullerene Ligands","Journal of the American Chemical Society","2006","128","","11160","11172","10.1021/ja0616027","","","0.71073","MoKα","","0.0758","0.0576","","","0.1476","0.1562","","","","","","1.044","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110835","17.472","0.005","20.071","0.006","22.639","0.006","90","","100.739","0.005","90","","7800","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ir4(CO)6{mu3-kappa3-PPh2(o-C6H4)P(o-C6H4)PPh(eta1-o-C6H4)} (mu3-eta2:eta2:eta2-C60)","","- C106 H27 Ir4 O6 P3 S8 -","- C106 H27 Ir4 O6 P3 S8 -","- C424 H108 Ir16 O24 P12 S32 -","4","1","","Bo Keun Park; Gaehang Lee; Kyoung Hoon Kim; Hongkyu Kang; Chang Yeon Lee; Md. Arzu Miah; Jaehoon Jung; Young-Kyu Han; Joon T. Park","Synthetic, Electrochemical, and Theoretical Studies of Tetrairidium Clusters Bearing Mono- and Bis[60]fullerene Ligands","Journal of the American Chemical Society","2006","128","","11160","11172","10.1021/ja0616027","","","0.71073","MoKα","","0.0715","0.0422","","","0.0859","0.0934","","","","","","0.953","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110836","18.139","0.002","24.386","0.003","22.478","0.003","90","","110.283","0.002","90","","9326","2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Ir4(CO)3(mu4-CH)(PMe3)2(mu-PMe2)(CNCH2Ph) (mu-eta2:eta2-C60)(mu4-eta1:eta1:eta2:eta2-C60)","","- C147.75 H36 Cl2 Ir4 N O3 P3 S3.5 -","- C147.75 H36 Cl2 Ir4 N O3 P3 S3.5 -","- C591 H144 Cl8 Ir16 N4 O12 P12 S14 -","4","1","","Bo Keun Park; Gaehang Lee; Kyoung Hoon Kim; Hongkyu Kang; Chang Yeon Lee; Md. Arzu Miah; Jaehoon Jung; Young-Kyu Han; Joon T. Park","Synthetic, Electrochemical, and Theoretical Studies of Tetrairidium Clusters Bearing Mono- and Bis[60]fullerene Ligands","Journal of the American Chemical Society","2006","128","","11160","11172","10.1021/ja0616027","","","0.71073","MoKα","","0.1427","0.0646","","","0.1528","0.1956","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110837","12.9731","0.001","16.0397","0.001","26.426","0.001","90","","93.196","0.01","90","","5490.3","0.6","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C101 H144 N20 O18 S5 -","- C101 H144 N20 O18 S5 -","- C202 H288 N40 O36 S10 -","2","1","","Zaida Rodriguez-Docampo; Sofia I. Pascu; Stefan Kubik; Sijbren Otto","Noncovalent Interactions within a Synthetic Receptor Can Reinforce Guest Binding","Journal of the American Chemical Society","2006","128","","11206","11210","10.1021/ja062389h","","","0.6923","synchrotron","","0.1431","0.1128","","0.1534","0.1248","0.1248","","","","","","1.157","","","","has coordinates,has disorder","201372","2020-10-21","18:00:00",""
"4110838","13.863","0.0002","16.993","0.0003","28.734","0.0005","90","","93.007","0.001","90","","6759.66","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H32 N2 O2 -","- C47 H32 N2 O2 -","- C376 H256 N16 O16 -","8","2","","Chien-Tien Chen; Yi Wei; Jin-Sheng Lin; Murthy V. R. K. Moturu; Wei-San Chao; Yu-Tai Tao; Chin-Hsiung Chien","Doubly Ortho-Linked Quinoxaline/Diphenylfluorene Hybrids as Bipolar, Fluorescent Chameleons for Optoelectronic Applications","Journal of the American Chemical Society","2006","128","","10992","10993","10.1021/ja062660v","","","0.71073","MoKα","","0.1336","0.0601","","","0.1298","0.1704","","","","","","1.031","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110839","10.166","0.0001","13.63","0.0002","27.9975","0.0005","89.53","0.001","83.779","0.001","78.539","0.001","3779.31","0.1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C47 H34 N4 -","- C47 H34 N4 -","- C188 H136 N16 -","4","2","","Chien-Tien Chen; Yi Wei; Jin-Sheng Lin; Murthy V. R. K. Moturu; Wei-San Chao; Yu-Tai Tao; Chin-Hsiung Chien","Doubly Ortho-Linked Quinoxaline/Diphenylfluorene Hybrids as Bipolar, Fluorescent Chameleons for Optoelectronic Applications","Journal of the American Chemical Society","2006","128","","10992","10993","10.1021/ja062660v","","","0.71073","MoKα","","0.1538","0.0887","","","0.2358","0.279","","","","","","0.876","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110840","13.55","0.0008","9.918","0.0006","25.004","0.0019","90","","117.413","0.002","90","","2982.9","0.3","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","SD01","SD01","","- C22 H40 Cl Fe N6 O3 S3 -","- C22 H40 Cl Fe N6 O3 S3 -","- C88 H160 Cl4 Fe4 N24 O12 S12 -","4","1","","Priscilla Lugo-Mas; Abhishek Dey; Liang Xu; Steven D. Davin; Jason Benedict; Werner Kaminsky; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Julie A. Kovacs","How Does Single Oxygen Atom Addition Affect the Properties of an Fe-Nitrile Hydratase Analogue? The Compensatory Role of the Unmodified Thiolate","Journal of the American Chemical Society","2006","128","","11211","11221","10.1021/ja062706k","","","0.71073","MoKα","","0.125","0.0557","","","0.094","0.1116","","","","","","0.999","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110841","15.461","0.0005","14.468","0.0006","20.536","0.0011","90","","90","","90","","4593.7","0.3","130","2","130","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","ADIT_OX_Zn","ADIT_OX_Zn","","- C14 H30 Cl3 Fe N4 O S2 Zn -","- C14 H30 Cl3 Fe N4 O S2 Zn -","- C112 H240 Cl24 Fe8 N32 O8 S16 Zn8 -","8","1","","Priscilla Lugo-Mas; Abhishek Dey; Liang Xu; Steven D. Davin; Jason Benedict; Werner Kaminsky; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Julie A. Kovacs","How Does Single Oxygen Atom Addition Affect the Properties of an Fe-Nitrile Hydratase Analogue? The Compensatory Role of the Unmodified Thiolate","Journal of the American Chemical Society","2006","128","","11211","11221","10.1021/ja062706k","","","0.71073","MoKα","","0.1452","0.0466","","","0.06","0.0734","","","","","","1.001","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110842","16.9199","0.0016","5.5487","0.0005","23.585","0.002","90","","108.519","0.001","90","","2099.6","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bisoxzaolidine","(1R,2S)-cis-1-amino-2-indanol derived bisoxazolidine","","- C24.5 H24.5 Cl1.5 N2 O2 -","- C24.5 H24.5 Cl1.5 N2 O2 -","- C98 H98 Cl6 N8 O8 -","4","2","","Christian Wolf; Shuanglong Liu","Bisoxazolidine-Catalyzed Enantioselective Alkynylation of Aldehydes","Journal of the American Chemical Society","2006","128","","10996","10997","10.1021/ja062711o","","","0.71073","MoKα","","0.1067","0.0564","","","0.1206","0.1334","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110843","32.163","0.005","32.163","0.005","32.163","0.005","90","","90","","90","","33271","9","100.1","","","","","","","","","","","5","F 4 3 2","F 4 2 3","209","","","","- C120 H60 Br12 O16 Zr4 -","- C120 Br12 O16 Zr4 -","- C960 Br96 O128 Zr32 -","8","0.0833333","","Kowichiro Saruhashi; Shū Kobayashi","Remarkably Stable Chiral Zirconium Complexes for Asymmetric Mannich-Type Reactions","Journal of the American Chemical Society","2006","128","","11232","11235","10.1021/ja062776r","","","0.7107","MoKα","","","0.1126","","","","0.3523","","","","","","1.513","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110844","15.4788","0.0007","11.214","0.0003","16.5552","0.0007","90","","114.604","0.0015","90","","2612.73","0.18","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 F12 Ni S4 -","- C22 H16 F12 Ni S4 -","- C88 H64 F48 Ni4 S16 -","4","1","","Daniel J. Harrison; Neilson Nguyen; Alan J. Lough; Ulrich Fekl","New Insight into Reactions of Ni(S2C2(CF3)2)2 with Simple Alkenes: Alkene Adduct versus Dihydrodithiin Product Selectivity Is Controlled by [Ni(S2C2(CF3)2)2]- Anion","Journal of the American Chemical Society","2006","128","","11026","11027","10.1021/ja063030w","","","0.71073","MoKα","","0.0827","0.0444","","","0.1016","0.1207","","","","","","1.025","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110845","32.062","0.002","20.3625","0.0014","12.7065","0.0009","90","","105.372","0.002","90","","7998.8","0.9","173","2","173","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C16 H147 Fe6 K7 N8 O154 Si3 W30 -","- C8 H16 Fe6 K5 N4 O154 Si3 W30 -","- C16 H32 Fe12 K10 N8 O308 Si6 W60 -","2","0.5","","Bogdan Botar; Yurii V. Geletii; Paul Kögerler; Djamaladdin G. Musaev; Keiji Morokuma; Ira A. Weinstock; Craig L. Hill","The True Nature of the Di-iron(III) γ-Keggin Structure in Water: Catalytic Aerobic Oxidation and Chemistry of an Unsymmetrical Trimer","Journal of the American Chemical Society","2006","128","","11268","11277","10.1021/ja063157l","","","0.71073","MoKα","","0.089","0.0674","","","0.1289","0.1375","","","","","","1.055","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110846","12.4883","0.0008","18.7832","0.0012","20.8326","0.0013","98.777","0.001","101.797","0.002","94.181","0.002","4700","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- Cl0.5 Fe4 H47 O99 Rb11.5 Si2 W20 -","- Fe4 O99 Rb11.5 Si2 W20 -","- Fe8 O198 Rb23 Si4 W40 -","2","1","","Bogdan Botar; Yurii V. Geletii; Paul Kögerler; Djamaladdin G. Musaev; Keiji Morokuma; Ira A. Weinstock; Craig L. Hill","The True Nature of the Di-iron(III) γ-Keggin Structure in Water: Catalytic Aerobic Oxidation and Chemistry of an Unsymmetrical Trimer","Journal of the American Chemical Society","2006","128","","11268","11277","10.1021/ja063157l","","","0.71073","MoKα","","0.0597","0.0449","","","0.1033","0.1096","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110847","22.202","0.019","26.62","0.02","38.95","0.03","90","","90","","90","","23020","3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H80 Cl2 O2 P4 Pt2 -","- C52 H80 Cl2 O2 P4 Pt2 -","- C832 H1280 Cl32 O32 P64 Pt32 -","16","4","","Hua Jiang; Wenbin Lin","Directed Assembly of Mesoscopic Metallocycles with Controllable Size, Chirality, and Functionality Based on the Robust Pt-Alkynyl Linkage","Journal of the American Chemical Society","2006","128","","11286","11297","10.1021/ja0633013","","","0.71073","MoKα","","0.1931","0.099","","","0.1905","0.2144","","","","","","1.01","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110848","36.603","0.016","12.976","0.006","25.145","0.012","90","","126.653","0.009","90","","9581","8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C160 H200 O8 P8 Pt4 -","- C160 H200 O8 P8 Pt4 -","- C320 H400 O16 P16 Pt8 -","2","0.5","","Hua Jiang; Wenbin Lin","Directed Assembly of Mesoscopic Metallocycles with Controllable Size, Chirality, and Functionality Based on the Robust Pt-Alkynyl Linkage","Journal of the American Chemical Society","2006","128","","11286","11297","10.1021/ja0633013","","","0.71073","MoKα","","0.1915","0.1402","","","0.3322","0.3578","","","","","","1.125","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110849","16.6596","0.0005","13.408","0.0006","20.9886","0.0009","90","","90","","90","","4688.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H36 B2 O5 -","- C22 H36 B2 O5 -","- C176 H288 B16 O40 -","8","1","","David S. Laitar; Emily Y. Tsui; Joseph P. Sadighi","Catalytic Diboration of Aldehydes via Insertion into the Copper-Boron Bond","Journal of the American Chemical Society","2006","128","","11036","11037","10.1021/ja064019z","","","0.71073","MoKα","","0.0696","0.0603","","","0.1571","0.1655","","","","","","1.07","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110850","11.8285","0.0013","20.61","0.002","17.6358","0.0018","90","","101.158","0.004","90","","4218.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H60 B Cu N2 O3 -","- C43 H60 B Cu N2 O3 -","- C172 H240 B4 Cu4 N8 O12 -","4","1","","David S. Laitar; Emily Y. Tsui; Joseph P. Sadighi","Catalytic Diboration of Aldehydes via Insertion into the Copper-Boron Bond","Journal of the American Chemical Society","2006","128","","11036","11037","10.1021/ja064019z","","","0.71073","MoKα","","0.0625","0.0499","","","0.1231","0.1303","","","","","","1.092","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110851","10.176","0.004","11.376","0.005","19.084","0.008","90","","90","","90","","2209.2","1.6","","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","sins0103a","","","- C24 H26 Br N O7 -","- C24 H26 Br N O7 -","- C96 H104 Br4 N4 O28 -","4","1","","Sheo B. Singh; Hiranthi Jayasuriya; John G. Ondeyka; Kithsiri B. Herath; Chaowei Zhang; Deborah L. Zink; Nancy N. Tsou; Richard G. Ball; Angela Basilio; Olga Genilloud; Maria Teresa Diez; Francisca Vicente; Fernando Pelaez; Katherine Young; Jun Wang","Isolation, Structure, and Absolute Stereochemistry of Platensimycin, A Broad Spectrum Antibiotic Discovered Using an Antisense Differential Sensitivity Strategy","Journal of the American Chemical Society","2006","128","","11916","11920","10.1021/ja062232p","","","","MoKα","","","0.0383","","","","0.0623","","","","","","0.89","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110852","9.2106","0.0007","10.9363","0.0007","17.6476","0.0008","90","","93.331","0.002","90","","1774.64","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 N O2 S -","- C18 H27 N O2 S -","- C72 H108 N4 O8 S4 -","4","1","","Jun Huang; Shuang Chen; Ilia A. Guzei; Lian Yu","Discovery of a Solid Solution of Enantiomers in a Racemate-Forming System by Seeding","Journal of the American Chemical Society","2006","128","","11985","11992","10.1021/ja063450l","","","0.71073","Mo-Kα","","0.0847","0.0631","","","0.1542","0.1681","","","","","","1.012","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4110853","9.3882","0.0014","10.9503","0.0016","17.855","0.003","90","","93.766","0.003","90","","1831.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 N O2 S -","- C18 H27 N O2 S -","- C72 H108 N4 O8 S4 -","4","1","","Jun Huang; Shuang Chen; Ilia A. Guzei; Lian Yu","Discovery of a Solid Solution of Enantiomers in a Racemate-Forming System by Seeding","Journal of the American Chemical Society","2006","128","","11985","11992","10.1021/ja063450l","","","0.71073","Mo-Kα","","0.1592","0.1208","","","0.2755","0.294","","","","","","1.409","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4110854","16.048","0.002","17.736","0.003","18.142","0.003","90","","115.456","0.014","90","","4662.4","1.4","193","2","193","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C47.5 H90.25 B2 Fe6 Mo2 N17.5 S10.09 Se0.92 -","- C47.5 H38.5 B2 Fe6 Mo2 N17.5 S10.086 Se0.914 -","- C95 H77 B4 Fe12 Mo4 N35 S20.172 Se1.828 -","2","0.5","","Curtis P. Berlinguette; R. H. Holm","Edge-Bridged Mo2Fe6S8 to PN-Type Mo2Fe6S9 Cluster Conversion: Structural Fate of the Attacking Sulfide/Selenide Nucleophile","Journal of the American Chemical Society","2006","128","","11993","12000","10.1021/ja063604x","","","0.71073","MoKα","","0.0935","0.0863","","","0.2527","0.2587","","","","","","1.142","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110855","16.18","0.03","17.74","0.02","18.243","0.019","90","","116.2","0.1","90","","4698","12","193","2","193","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","(Et4N)[5].5.5MeCN","","","- C53 H98.5 B2 Fe6 Mo2 N20.5 S8 Se3 -","- C53 H74 B2 Fe6 Mo2 N20 S8.006 Se2.994 -","- C106 H148 B4 Fe12 Mo4 N40 S16.012 Se5.988 -","2","0.5","","Curtis P. Berlinguette; R. H. Holm","Edge-Bridged Mo2Fe6S8 to PN-Type Mo2Fe6S9 Cluster Conversion: Structural Fate of the Attacking Sulfide/Selenide Nucleophile","Journal of the American Chemical Society","2006","128","","11993","12000","10.1021/ja063604x","","","0.71073","MoKα","","0.0783","0.0564","","","0.1541","0.1686","","","","","","1.041","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110856","14.98","0.05","17.1","0.06","18.49","0.07","91.5","0.16","101.83","0.17","115.15","0.09","4162","3","193","2","193","2","","","","","","","","9","P -1","-P 1","2","(Et4N)3.Cluster.1MeCN","","","- C48 H93 B2 Fe6 Mo2 N16 O0 S10 Se -","- C48 H90 B2 Fe6 Mo2 N16 S9.904 Se1.096 -","- C96 H180 B4 Fe12 Mo4 N32 S19.808 Se2.192 -","2","1","","Curtis P. Berlinguette; R. H. Holm","Edge-Bridged Mo2Fe6S8 to PN-Type Mo2Fe6S9 Cluster Conversion: Structural Fate of the Attacking Sulfide/Selenide Nucleophile","Journal of the American Chemical Society","2006","128","","11993","12000","10.1021/ja063604x","","","0.71073","MoKα","","0.1398","0.0808","","","0.2186","0.2593","","","","","","1.044","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110857","16.6074","0.0019","17.385","0.002","18.396","0.003","90","","116.816","0.002","90","","4740.1","1.1","173","2","173","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","(Et4N)3[7].2.5MeCN","","","- C49 H87.5 B2 Fe6 Mo2 N19.5 S7.8 Se1.2 -","- C49 H20 B2 Fe6 Mo2 N18.5 S7.8 Se1.2 -","- C98 H40 B4 Fe12 Mo4 N37 S15.6 Se2.4 -","2","0.5","","Curtis P. Berlinguette; R. H. Holm","Edge-Bridged Mo2Fe6S8 to PN-Type Mo2Fe6S9 Cluster Conversion: Structural Fate of the Attacking Sulfide/Selenide Nucleophile","Journal of the American Chemical Society","2006","128","","11993","12000","10.1021/ja063604x","","","0.71073","MoKα","","0.0842","0.0634","","","0.1785","0.1984","","","","","","1.027","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110858","36.478","0.009","26.208","0.007","16.165","0.006","90","","90","","90","","15454","8","193","2","193","2","","","","","","","","7","A b a 2","A 2 -2ab","41","(Et4N)5[8].8MeCN","","","- C92 H164 B4 Fe12 Mo4 N37 S20 -","- C92 H140 B4 Fe12 Mo4 N37 S20 -","- C368 H560 B16 Fe48 Mo16 N148 S80 -","4","","","Curtis P. Berlinguette; R. H. Holm","Edge-Bridged Mo2Fe6S8 to PN-Type Mo2Fe6S9 Cluster Conversion: Structural Fate of the Attacking Sulfide/Selenide Nucleophile","Journal of the American Chemical Society","2006","128","","11993","12000","10.1021/ja063604x","","","0.71073","MoKα","","0.1042","0.0878","","","0.1968","0.2046","","","","","","1.156","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110859","17.8522","0.0004","23.0986","0.0005","37.9215","0.0009","90","","99.417","0.002","90","","15426.6","0.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C165 H149 Li N12 O10 P6 S12 Ti2 -","- C165 H147 Li N12 O10 P6 S12 Ti2 -","- C660 H588 Li4 N48 O40 P24 S48 Ti8 -","4","1","","Thorsten Kreickmann; Christian Diedrich; Tania Pape; Han Vinh Huynh; Stefan Grimme; F. Ekkehardt Hahn","Metallosupramolecular Chemistry with Bis(benzene-o-dithiolato) Ligands","Journal of the American Chemical Society","2006","128","","11808","11819","10.1021/ja063655u","","","1.54184","CuKα","","0.0786","0.0522","","","0.133","0.1427","","","","","","0.938","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110860","24.5457","0.0016","24.5457","0.0016","112.885","0.01","90","","90","","120","","58900","8","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C213 H177 N13 O9 P8 S12 Ti2 -","- C212.82 H176.85 N12.995 O9 P7.99 S12 Ti2 -","- C2553.84 H2122.2 N155.94 O108 P95.88 S144 Ti24 -","12","0.333333","","Thorsten Kreickmann; Christian Diedrich; Tania Pape; Han Vinh Huynh; Stefan Grimme; F. Ekkehardt Hahn","Metallosupramolecular Chemistry with Bis(benzene-o-dithiolato) Ligands","Journal of the American Chemical Society","2006","128","","11808","11819","10.1021/ja063655u","","","1.54178","CuKα","","0.1258","0.0886","","","0.2439","0.279","","","","","","1.04","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110861","8.4004","0.001","16.4984","0.0019","17.952","0.002","80.544","0.002","76.82","0.002","85.068","0.003","2386.5","0.5","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H98 As2 N8 O10 S8 Ti2 -","- C102 H98 As2 N8 O10 S8 Ti2 -","- C102 H98 As2 N8 O10 S8 Ti2 -","1","0.5","","Thorsten Kreickmann; Christian Diedrich; Tania Pape; Han Vinh Huynh; Stefan Grimme; F. Ekkehardt Hahn","Metallosupramolecular Chemistry with Bis(benzene-o-dithiolato) Ligands","Journal of the American Chemical Society","2006","128","","11808","11819","10.1021/ja063655u","","","0.71073","MoKα","","0.0746","0.0464","","","0.1013","0.1107","","","","","","1.007","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110862","14.038","0.003","15.014","0.003","15.241","0.003","105.879","0.004","100.689","0.004","110.322","0.004","2753.7","1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H104 N8 O16 P4 Ti2 -","- C120 H104 N8 O16 P4 Ti2 -","- C120 H104 N8 O16 P4 Ti2 -","1","0.5","","Thorsten Kreickmann; Christian Diedrich; Tania Pape; Han Vinh Huynh; Stefan Grimme; F. Ekkehardt Hahn","Metallosupramolecular Chemistry with Bis(benzene-o-dithiolato) Ligands","Journal of the American Chemical Society","2006","128","","11808","11819","10.1021/ja063655u","","","0.71073","MoKα","","0.1717","0.0877","","","0.2141","0.2654","","","","","","0.977","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110863","8.58","0.0014","6.9147","0.0011","14.765","0.003","90","","90.373","0.005","90","","876","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 Br1.35 Cl0.65 N -","- C18 H21 Br1.348 Cl0.652 N -","- C36 H42 Br2.696 Cl1.304 N2 -","2","1","","Guo-Hua Hou; Jian-Hua Xie; Li-Xin Wang; Qi-Lin Zhou","Highly Efficient Rh(I)-Catalyzed Asymmetric Hydrogenation of Enamines Using Monodente Spiro Phosphonite Ligands","Journal of the American Chemical Society","2006","128","","11774","11775","10.1021/ja0644778","","","0.7107","MoKα","","0.0527","0.033","","","0.0603","0.0646","","","","","","0.861","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110864","13.37","0.003","16.407","0.003","10.255","0.002","90","","91.85","0.03","90","","2248.4","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C108 H108 N4 O12 -","4","1","","Xiaobing Wan; Dong Xing; Zhao Fang; Bijie Li; Fei Zhao; Keya Zhang; Liping Yang; Zhangjie Shi","Multiple Deprotonations and Deaminations of Phenethylamines to Synthesize Pyrroles","Journal of the American Chemical Society","2006","128","","12046","12047","10.1021/ja061176p","","","0.71073","MoKα","","0.106","0.0392","","","0.0661","0.0723","","","","","","0.954","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110865","8.2616","0.0002","12.2638","0.0004","13.3939","0.0004","100.215","0.001","95.226","0.001","104.524","0.001","1279.71","0.07","130","2","130","2","","","","","","","","6","P -1","-P 1","2","POCOPIrHBH2","POCOPIrHBH2","","- C22 H42 B Ir O2 P2 -","- C22 H42 B Ir O2 P2 -","- C44 H84 B2 Ir2 O4 P4 -","2","1","","Melanie C. Denney; Vincent Pons; Travis J. Hebden; D. Michael Heinekey; Karen I. Goldberg","Efficient Catalysis of Ammonia Borane Dehydrogenation","Journal of the American Chemical Society","2006","128","","12048","12049","10.1021/ja062419g","","","0.71073","MoKα","","0.0585","0.0457","","","0.0892","0.0954","","","","","","1.06","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110866","18.9367","0.0011","11.9364","0.0005","6.8799","0.0004","90","","90","","90","","1555.11","0.14","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H11 O5 P W -","- C14 H11 O5 P W -","- C56 H44 O20 P4 W4 -","4","1","","Rosa E. Bulo; Florian Allaart; Andreas W. Ehlers; Franciscus J. J. de Kanter; Marius Schakel; Martin Lutz; Anthony L. Spek; Koop Lammertsma","Circumambulatory Rearrangement with Characteristics of a 2:1 Covalent Molecular Bevel Gear","Journal of the American Chemical Society","2006","128","","12169","12173","10.1021/ja0627895","","","0.71073","MoKα","","0.0221","0.0148","","","0.0252","0.0269","","","","","","1.065","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110867","9.0373","0.0011","13.4576","0.0011","13.548","0.0011","90","","110.442","0.008","90","","1544","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 O5 P W -","- C14 H11 O5 P W -","- C56 H44 O20 P4 W4 -","4","1","","Rosa E. Bulo; Florian Allaart; Andreas W. Ehlers; Franciscus J. J. de Kanter; Marius Schakel; Martin Lutz; Anthony L. Spek; Koop Lammertsma","Circumambulatory Rearrangement with Characteristics of a 2:1 Covalent Molecular Bevel Gear","Journal of the American Chemical Society","2006","128","","12169","12173","10.1021/ja0627895","","","0.71073","MoKα","","0.0212","0.0177","","","0.0432","0.0448","","","","","","1.099","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110868","12.4531","0.0016","38.667","0.005","13.6401","0.0017","90","","90.923","0.002","90","","6567.2","1.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C95 H160 Cl6 O34 Re2 Si16 -","- C95 H160 Cl6 O34 Re2 Si16 -","- C190 H320 Cl12 O68 Re4 Si32 -","2","1","","Elena Lucenti; Giuseppe D'Alfonso; Piero Macchi; Mario Maranesi; Dominique Roberto; Angelo Sironi; Renato Ugo","A Re(CO)5 Fragment Bonded to a Polyhedral Oligomeric Hydroxysilsesquioxane as a Model which Gives Further Evidence to the Existence of an Unexpected Re(CO)5 Surface Species","Journal of the American Chemical Society","2006","128","","12054","12055","10.1021/ja0630588","","","0.71069","MoKα","","0.0828","0.0587","","","0.149","0.1633","","","","","","1.038","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110869","11.3178","0.0014","22.552","0.003","18.076","0.002","90","","99.966","0.004","90","","4544.1","1","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 -","- C12 H12 N2 -","- C216 H216 N36 -","18","4.5","","Michal Rafilovich; Joel Bernstein","Serendipity and Four Polymorphic Structures of Benzidine, C12H12N2","Journal of the American Chemical Society","2006","128","","12185","12191","10.1021/ja063224b","","","0.71073","MoKα","","0.2691","0.0489","","","0.1082","0.1795","","","","","","0.704","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110870","9.7443","0.0012","11.4444","0.0015","13.9786","0.0016","104.847","0.003","97.681","0.004","95.018","0.003","1481.2","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H12 N2 -","- C12 H12 N2 -","- C72 H72 N12 -","6","3","","Michal Rafilovich; Joel Bernstein","Serendipity and Four Polymorphic Structures of Benzidine, C12H12N2","Journal of the American Chemical Society","2006","128","","12185","12191","10.1021/ja063224b","","","0.71073","MoKα","","0.1613","0.0517","","","0.1092","0.1411","","","","","","0.781","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110871","14.735","0.004","5.5332","0.0016","19.2","0.006","90","","106.827","0.009","90","","1498.4","0.8","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 -","- C12 H12 N2 -","- C72 H72 N12 -","6","1.5","","Michal Rafilovich; Joel Bernstein","Serendipity and Four Polymorphic Structures of Benzidine, C12H12N2","Journal of the American Chemical Society","2006","128","","12185","12191","10.1021/ja063224b","","","0.71073","MoKα","","0.1257","0.0583","","","0.141","0.1791","","","","","","0.859","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110872","11.631","0.0013","16.1892","0.0019","24.173","0.003","90","","99.153","0.003","90","","4493.7","0.9","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 -","- C12 H12 N2 -","- C216 H216 N36 -","18","4.5","","Michal Rafilovich; Joel Bernstein","Serendipity and Four Polymorphic Structures of Benzidine, C12H12N2","Journal of the American Chemical Society","2006","128","","12185","12191","10.1021/ja063224b","","","0.71073","MoKα","","0.1611","0.0478","","","0.1137","0.1625","","","","","","0.843","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110873","10.8764","0.0002","15.1293","0.0003","26.7857","0.0005","77.428","0.001","85.234","0.001","78.123","0.001","4206.49","0.14","120","1","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H88 N9 O19 Y2 -","- C87 H88 N14.5 O18.5 Y2 -","- C174 H176 N29 O37 Y4 -","2","1","","Katell Sénéchal-David; Anne Hemeryck; Nicolas Tancrez; Loïc Toupet; J. A. Gareth Williams; Isabelle Ledoux; Joseph Zyss; Abdou Boucekkine; Jean-Paul Guégan; Hubert Le Bozec; Olivier Maury","Synthesis, Structural Studies, Theoretical Calculations, and Linear and Nonlinear Optical Properties of Terpyridyl Lanthanide Complexes: New Evidence for the Contribution of f Electrons to the NLO Activity","Journal of the American Chemical Society","2006","128","","12243","12255","10.1021/ja063586j","","","0.71073","MoKα","","0.1332","0.0802","","","0.1861","0.2153","","","","","","1.006","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110874","48.415","0.001","48.415","0.001","10.6278","0.0002","90","","90","","120","","21574.2","0.7","120","1","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C135 H141 Gd3 N24 O27 -","- C135 H132 Gd3 N24 O27 -","- C810 H792 Gd18 N144 O162 -","6","0.333333","","Katell Sénéchal-David; Anne Hemeryck; Nicolas Tancrez; Loïc Toupet; J. A. Gareth Williams; Isabelle Ledoux; Joseph Zyss; Abdou Boucekkine; Jean-Paul Guégan; Hubert Le Bozec; Olivier Maury","Synthesis, Structural Studies, Theoretical Calculations, and Linear and Nonlinear Optical Properties of Terpyridyl Lanthanide Complexes: New Evidence for the Contribution of f Electrons to the NLO Activity","Journal of the American Chemical Society","2006","128","","12243","12255","10.1021/ja063586j","","","0.71069","MoKα","","0.183","0.0944","","","0.2424","0.3029","","","","","","1.02","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110875","8.8669","0.0006","19.9702","0.0015","15.3635","0.0011","90","","97.896","0.001","90","","2694.7","0.3","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H45 B Cl P Pd -","- C27 H45 B Cl P Pd -","- C108 H180 B4 Cl4 P4 Pd4 -","4","1","","Sébastien Bontemps; Ghenwa Bouhadir; Karinne Miqueu; Didier Bourissou","On the Versatile and Unusual Coordination Behavior of Ambiphilic Ligands o-R2P(Ph)BR'2","Journal of the American Chemical Society","2006","128","","12056","12057","10.1021/ja0637494","","","0.71073","MoKα","","0.0314","0.0251","","","0.0629","0.0663","","","","","","1.072","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110876","8.4956","0.0006","9.4873","0.0007","17.5693","0.0013","81.632","0.001","76.498","0.001","67.615","0.001","1270.67","0.16","133","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Au B Cl P -","- C24 H40 Au B Cl P -","- C48 H80 Au2 B2 Cl2 P2 -","2","1","","Sébastien Bontemps; Ghenwa Bouhadir; Karinne Miqueu; Didier Bourissou","On the Versatile and Unusual Coordination Behavior of Ambiphilic Ligands o-R2P(Ph)BR'2","Journal of the American Chemical Society","2006","128","","12056","12057","10.1021/ja0637494","","","0.71073","MoKα","","0.0391","0.0291","","","0.0634","0.0782","","","","","","1.06","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110877","8.7049","0.0008","12.011","0.0011","13.9619","0.0012","110.259","0.002","91.804","0.002","110.708","0.002","1261.1","0.2","133","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H30 Au B Cl P -","- C27.5 H30 Au B Cl P -","- C55 H60 Au2 B2 Cl2 P2 -","2","1","","Sébastien Bontemps; Ghenwa Bouhadir; Karinne Miqueu; Didier Bourissou","On the Versatile and Unusual Coordination Behavior of Ambiphilic Ligands o-R2P(Ph)BR'2","Journal of the American Chemical Society","2006","128","","12056","12057","10.1021/ja0637494","","","0.71073","MoKα","","0.0457","0.0336","","","0.0726","0.0768","","","","","","1.009","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110878","40.2225","0.0008","10.1706","0.0003","20.177","0.0004","90","","114.193","0.001","90","","7529.2","0.3","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H5 F12 O -","- C68 F12 O -","- C544 F96 O8 -","8","1","","Ivan E. Kareev; Natalia B. Shustova; Igor V. Kuvychko; Sergey F. Lebedkin; Susie M. Miller; Oren P. Anderson; Alexey A. Popov; Steven H. Strauss; Olga V. Boltalina","Thermally Stable Perfluoroalkylfullerenes with the Skew-Pentagonal-Pyramid Pattern: C60(C2F5)4O, C60(CF3)4O, and C60(CF3)6","Journal of the American Chemical Society","2006","128","","12268","12280","10.1021/ja063907r","","","0.71073","MoKα","","0.0967","0.0495","","","0.1133","0.1401","","","","","","1.008","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110879","10.1145","0.0006","12.3096","0.0008","16.8423","0.0008","80.148","0.003","78.049","0.003","74.893","0.003","1965.3","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C68 F20 O -","- C68 F20 O -","- C136 F40 O2 -","2","1","","Ivan E. Kareev; Natalia B. Shustova; Igor V. Kuvychko; Sergey F. Lebedkin; Susie M. Miller; Oren P. Anderson; Alexey A. Popov; Steven H. Strauss; Olga V. Boltalina","Thermally Stable Perfluoroalkylfullerenes with the Skew-Pentagonal-Pyramid Pattern: C60(C2F5)4O, C60(CF3)4O, and C60(CF3)6","Journal of the American Chemical Society","2006","128","","12268","12280","10.1021/ja063907r","","","0.71073","MoKα","","0.1269","0.0536","","","0.1093","0.1381","","","","","","0.959","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110880","12.2382","0.0017","12.2382","0.0017","10.0176","0.0015","90","","90","","90","","1500.4","0.4","120","2","120","2","","","","","","","Gareth Bates","4","P 4/n :2","-P 4a","85","","","","- C32 H48 Cl N5 -","- C32.04 H48.12 Cl N5 -","- C64.08 H96.24 Cl2 N10 -","2","0.25","","Jonathan L. Sessler; Dustin E. Gross; Won-Seob Cho; Vincent M. Lynch; Franz P. Schmidtchen; Gareth W. Bates; Mark E. Light; Philip A. Gale","Calix[4]pyrrole as a Chloride Anion Receptor: Solvent and Countercation Effects","Journal of the American Chemical Society","2006","128","","12281","12288","10.1021/ja064012h","","","0.71073","MoKα","","0.1033","0.0611","","","0.147","0.1743","","","","","","1.031","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110881","10.3552","0.0008","10.3566","0.0009","17.4107","0.001","95.319","0.006","91.844","0.005","97.234","0.006","1842.5","0.2","120","2","120","2","","","","","","","Gareth Bates","4","P -1","-P 1","2","","","","- C37 H58 Cl3 N5 -","- C37 H58 Cl3 N5 -","- C74 H116 Cl6 N10 -","2","1","","Jonathan L. Sessler; Dustin E. Gross; Won-Seob Cho; Vincent M. Lynch; Franz P. Schmidtchen; Gareth W. Bates; Mark E. Light; Philip A. Gale","Calix[4]pyrrole as a Chloride Anion Receptor: Solvent and Countercation Effects","Journal of the American Chemical Society","2006","128","","12281","12288","10.1021/ja064012h","","","0.71073","MoKα","","0.1048","0.0506","","","0.1082","0.1291","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110882","10.4127","0.0002","10.5126","0.0002","17.6381","0.0005","91.377","0.001","95.216","0.001","97.477","0.001","1905.14","0.07","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H58 Cl3 N4 P -","- C37 H58 Cl3 N4 P -","- C74 H116 Cl6 N8 P2 -","2","1","","Jonathan L. Sessler; Dustin E. Gross; Won-Seob Cho; Vincent M. Lynch; Franz P. Schmidtchen; Gareth W. Bates; Mark E. Light; Philip A. Gale","Calix[4]pyrrole as a Chloride Anion Receptor: Solvent and Countercation Effects","Journal of the American Chemical Society","2006","128","","12281","12288","10.1021/ja064012h","","","0.71073","MoKα","","0.0638","0.044","","","0.105","0.1168","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110883","21.1602","0.0003","19.9577","0.0003","10.9419","0.0002","90","","90","","90","","4620.86","0.13","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H74 Cl3 N4 P -","- C45 H74 Cl3 N4 P -","- C180 H296 Cl12 N16 P4 -","4","1","","Jonathan L. Sessler; Dustin E. Gross; Won-Seob Cho; Vincent M. Lynch; Franz P. Schmidtchen; Gareth W. Bates; Mark E. Light; Philip A. Gale","Calix[4]pyrrole as a Chloride Anion Receptor: Solvent and Countercation Effects","Journal of the American Chemical Society","2006","128","","12281","12288","10.1021/ja064012h","","","0.71073","MoKα","","0.0595","0.0453","","","0.1027","0.1104","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110884","12.8495","0.0001","13.1813","0.0001","24.5304","0.0002","90","","91.13","0.001","90","","4153.98","0.06","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H66 Cl3 N5 -","- C41 H66 Cl3 N5 -","- C164 H264 Cl12 N20 -","4","1","","Jonathan L. Sessler; Dustin E. Gross; Won-Seob Cho; Vincent M. Lynch; Franz P. Schmidtchen; Gareth W. Bates; Mark E. Light; Philip A. Gale","Calix[4]pyrrole as a Chloride Anion Receptor: Solvent and Countercation Effects","Journal of the American Chemical Society","2006","128","","12281","12288","10.1021/ja064012h","","","0.71073","MoKα","","0.0624","0.0492","","","0.1221","0.1301","","","","","","1.088","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110885","8.7649","0.0005","33.821","0.002","10.9321","0.0008","90","","92.1164","0.0014","90","","3238.5","0.4","140.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H38 Br6 N8 O2 Pt2 -","- C18 H34 Br6 N8 O2 Pt2 -","- C72 H136 Br24 N32 O8 Pt8 -","4","1","","Atsushi Kobayashi; Hiroshi Kitagawa","Mixed-Valence Two-Legged MX-Ladder Complex with a Pair of Out-of-Phase Charge-Density Waves","Journal of the American Chemical Society","2006","128","","12066","12067","10.1021/ja064082o","","","0.7107","MoKα","","","0.0685","","","","0.1644","","","","","","1.259","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110886","7.2048","0.001","16.46","0.002","11.8821","0.0016","90","","96.673","0.003","90","","1399.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H21 Al B9 N -","- C6 H21 Al B9 N -","- C24 H84 Al4 B36 N4 -","4","2","","Ki-Chul Son; Young-Joo Lee; Minserk Cheong; Jaejung Ko; Sang Ook Kang","Constrained-Geometry Aluminum Complexes with η5;η1-Coordination: Syntheses, Structures, and Theoretical Studies of Dicarbollylamino Aluminum(III) Complexes","Journal of the American Chemical Society","2006","128","","12086","12087","10.1021/ja064696t","","","0.71073","MoKα","","0.12","0.0579","","","0.1392","0.1658","","","","","","0.994","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110887","7.8871","0.0009","15.6252","0.0019","12.3519","0.0015","90","","92.013","0.003","90","","1521.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H23 Al B9 N -","- C7 H23 Al B9 N -","- C28 H92 Al4 B36 N4 -","4","1","","Ki-Chul Son; Young-Joo Lee; Minserk Cheong; Jaejung Ko; Sang Ook Kang","Constrained-Geometry Aluminum Complexes with η5;η1-Coordination: Syntheses, Structures, and Theoretical Studies of Dicarbollylamino Aluminum(III) Complexes","Journal of the American Chemical Society","2006","128","","12086","12087","10.1021/ja064696t","","","0.71073","MoKα","","0.1351","0.0662","","","0.1758","0.2109","","","","","","1.053","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110888","9.3406","0.0006","11.7311","0.0007","12.2403","0.0008","107.703","0.001","108.925","0.001","103.746","0.001","1121.37","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H26 B F3 O5 Pt -","- C23 H26 B F3 O5 Pt -","- C46 H52 B2 F6 O10 Pt2 -","2","1","","Endre Szuromi; Jianguo Wu; Paul R. Sharp","Reversible Alkene Extrusion from Platinaoxetanes","Journal of the American Chemical Society","2006","128","","12088","12089","10.1021/ja065207s","","","0.71073","MoKα","","0.0479","0.0403","","","0.0963","0.1008","","","","","","1.053","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110889","8.2632","0.0011","13.7649","0.0017","19.649","0.003","90","","90","","90","","2234.9","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H17 Cl O Pt -","- C11 H17 Cl O Pt -","- C88 H136 Cl8 O8 Pt8 -","8","1","","Endre Szuromi; Jianguo Wu; Paul R. Sharp","Reversible Alkene Extrusion from Platinaoxetanes","Journal of the American Chemical Society","2006","128","","12088","12089","10.1021/ja065207s","","","0.71073","MoKα","","0.0386","0.0278","","","0.0566","0.0596","","","","","","1.07","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110890","10.7045","0.0011","12.2835","0.0013","13.3986","0.0014","78.075","0.002","83.675","0.002","81.444","0.002","1698.8","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H41 B Cl F4 N O7 Pt2 -","- C32 H41 B Cl F4 N O7 Pt2 -","- C64 H82 B2 Cl2 F8 N2 O14 Pt4 -","2","1","","Endre Szuromi; Jianguo Wu; Paul R. Sharp","Reversible Alkene Extrusion from Platinaoxetanes","Journal of the American Chemical Society","2006","128","","12088","12089","10.1021/ja065207s","","","0.71073","MoKα","","0.0539","0.0393","","","0.094","0.1008","","","","","","1.028","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110891","13.6535","0.0006","11.685","0.0005","18.6671","0.0008","90","","90","","90","","2978.2","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H22 B F3 O Pt -","- C15 H22 B F3 O Pt -","- C120 H176 B8 F24 O8 Pt8 -","8","1","","Endre Szuromi; Jianguo Wu; Paul R. Sharp","Reversible Alkene Extrusion from Platinaoxetanes","Journal of the American Chemical Society","2006","128","","12088","12089","10.1021/ja065207s","","","0.71073","MoKα","","0.0398","0.0287","","","0.0614","0.0669","","","","","","1.038","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110892","11.157","0.002","13.22","0.002","18.406","0.003","86.578","0.003","85.092","0.003","79.206","0.003","2654.3","0.8","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C126 H44 Cl6 Co2 F30 N8 P2 -","- C126 H44 Cl6 Co2 F30 N8 P2 -","- C126 H44 Cl6 Co2 F30 N8 P2 -","1","0.5","","Satoru Hiroto; Ko Furukawa; Hiroshi Shinokubo; Atsuhiro Osuka","Synthesis and Biradicaloid Character of Doubly Linked Corrole Dimers","Journal of the American Chemical Society","2006","128","","12380","12381","10.1021/ja062654z","","","0.71073","MoKα","","0.0638","0.0543","","","0.1426","0.1516","","","","","","1.051","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110893","14.9948","0.0004","39.4282","0.0008","16.3092","0.0004","90","","109.651","0.0011","90","","9080.7","0.4","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C100 H69 Cl3 F30 N8 O2 Zn2 -","- C100 H69 Cl3 F30 N8 O2 Zn2 -","- C400 H276 Cl12 F120 N32 O8 Zn8 -","4","1","","Satoru Hiroto; Ko Furukawa; Hiroshi Shinokubo; Atsuhiro Osuka","Synthesis and Biradicaloid Character of Doubly Linked Corrole Dimers","Journal of the American Chemical Society","2006","128","","12380","12381","10.1021/ja062654z","","","0.71069","MoKα","","0.1171","0.0875","","","0.2412","0.27","","","","","","1.027","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110894","11.347","0.003","12.766","0.004","16.505","0.004","72.43","0.004","70.736","0.004","66.315","0.004","2026.8","1","91","2","91","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H60 Ga N2 -","- C48 H60 Ga N2 -","- C96 H120 Ga2 N4 -","2","1","","Robert J. Wright; Marcin Brynda; James C. Fettinger; Audra R. Betzer; Philip P. Power","Quasi-Isomeric Gallium Amides and Imides GaNR2 and RGaNR (R = Organic Group): Reactions of the Digallene, Ar'GaGaAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) with Unsaturated Nitrogen Compounds","Journal of the American Chemical Society","2006","128","","12498","12509","10.1021/ja063072k","","","0.71073","MoKα","","0.1042","0.0545","","","0.1157","0.1297","","","","","","0.962","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110895","12.8419","0.0014","10.8132","0.0012","31.065","0.004","90","","90.861","0.003","90","","4313.3","0.9","91","2","91","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H63 Ga N2 -","- C50 H63 Ga N2 -","- C200 H252 Ga4 N8 -","4","1","","Robert J. Wright; Marcin Brynda; James C. Fettinger; Audra R. Betzer; Philip P. Power","Quasi-Isomeric Gallium Amides and Imides GaNR2 and RGaNR (R = Organic Group): Reactions of the Digallene, Ar'GaGaAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) with Unsaturated Nitrogen Compounds","Journal of the American Chemical Society","2006","128","","12498","12509","10.1021/ja063072k","","","0.71073","MoKα","","0.0924","0.041","","","0.0757","0.0946","","","","","","1.012","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110896","25.919","0.006","14.966","0.003","22.663","0.005","90","","123.089","0.003","90","","7365","3","91","2","91","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(Dipp*GaNAr)2","","","- C88 H104 Ga2 N2 -","- C88 H104 Ga2 N2 -","- C352 H416 Ga8 N8 -","4","0.5","","Robert J. Wright; Marcin Brynda; James C. Fettinger; Audra R. Betzer; Philip P. Power","Quasi-Isomeric Gallium Amides and Imides GaNR2 and RGaNR (R = Organic Group): Reactions of the Digallene, Ar'GaGaAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) with Unsaturated Nitrogen Compounds","Journal of the American Chemical Society","2006","128","","12498","12509","10.1021/ja063072k","","","0.71073","MoKα","","0.0499","0.0369","","","0.0919","0.1063","","","","","","1.053","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110897","11.072","0.0007","11.6811","0.0008","11.9741","0.0008","118.67","0.001","114.144","0.001","90.151","0.001","1201.05","0.14","90","2","90","2","","","","","","","","5","P -1","-P 1","2","J*N(TMS)Ga","","","- C27 H34 Ga N Si -","- C27 H34 Ga N Si -","- C54 H68 Ga2 N2 Si2 -","2","1","","Robert J. Wright; Marcin Brynda; James C. Fettinger; Audra R. Betzer; Philip P. Power","Quasi-Isomeric Gallium Amides and Imides GaNR2 and RGaNR (R = Organic Group): Reactions of the Digallene, Ar'GaGaAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) with Unsaturated Nitrogen Compounds","Journal of the American Chemical Society","2006","128","","12498","12509","10.1021/ja063072k","","","0.71073","MoKα","","0.0449","0.036","","","0.1028","0.1079","","","","","","1.142","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110898","20.503","0.004","18.564","0.004","28.657","0.006","90","","97.543","0.003","90","","10813","4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C126.5 H146 Ga2 N4 Si2 -","- C126.5 H146 Ga2 N4 Si2 -","- C506 H584 Ga8 N16 Si8 -","4","1","","Robert J. Wright; Marcin Brynda; James C. Fettinger; Audra R. Betzer; Philip P. Power","Quasi-Isomeric Gallium Amides and Imides GaNR2 and RGaNR (R = Organic Group): Reactions of the Digallene, Ar'GaGaAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) with Unsaturated Nitrogen Compounds","Journal of the American Chemical Society","2006","128","","12498","12509","10.1021/ja063072k","","","0.71073","MoKα","","0.1127","0.0846","","","0.2269","0.2403","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110899","14.4015","0.001","26.1551","0.0019","21.8374","0.0016","90","","98.259","0.001","90","","8140.2","1","91","2","91","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(D*GaNNCPh2)2","","","- C95 H115 Ga2 N4 -","- C95 H115 Ga2 N4 -","- C380 H460 Ga8 N16 -","4","1","","Robert J. Wright; Marcin Brynda; James C. Fettinger; Audra R. Betzer; Philip P. Power","Quasi-Isomeric Gallium Amides and Imides GaNR2 and RGaNR (R = Organic Group): Reactions of the Digallene, Ar'GaGaAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) with Unsaturated Nitrogen Compounds","Journal of the American Chemical Society","2006","128","","12498","12509","10.1021/ja063072k","","","0.71073","MoKα","","0.1184","0.0472","","","0.1077","0.1282","","","","","","0.909","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110900","9.6415","0.0007","15.6136","0.0012","16.0959","0.0012","90","","102.776","0.001","90","","2363.1","0.3","516","2","516","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N4 Se2 -","- C24 H26 N4 Se2 -","- C96 H104 N16 Se8 -","4","1","","Victoria K. Landry; Mao Minoura; Keliang Pang; Daniela Buccella; Bryte V. Kelly; Gerard Parkin","Synthesis and Structural Characterization of 1-Mesityl-1,3-dihydro-imidazole-2-selone and Bis(1-mesitylimidazol-2-yl)diselenide: Experimental Evidence That the Selone Is More Stable Than the Selenol Tautomer","Journal of the American Chemical Society","2006","128","","12490","12497","10.1021/ja063168e","","","0.71073","MoKα","","0.0512","0.031","","","0.0778","0.0827","","","","","","1.088","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110901","7.6278","0.0005","21.1826","0.0013","7.4022","0.0005","90","","90.193","0.001","90","","1196.02","0.13","243","2","243","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 Se -","- C12 H14 N2 Se -","- C48 H56 N8 Se4 -","4","1","","Victoria K. Landry; Mao Minoura; Keliang Pang; Daniela Buccella; Bryte V. Kelly; Gerard Parkin","Synthesis and Structural Characterization of 1-Mesityl-1,3-dihydro-imidazole-2-selone and Bis(1-mesitylimidazol-2-yl)diselenide: Experimental Evidence That the Selone Is More Stable Than the Selenol Tautomer","Journal of the American Chemical Society","2006","128","","12490","12497","10.1021/ja063168e","","","0.71073","MoKα","","0.0423","0.0334","","","0.0975","0.1015","","","","","","1.022","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110902","6.682","0.0005","15.0829","0.0012","17.919","0.0014","90","","96.524","0.001","90","","1794.3","0.2","243","2","243","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N2 Se -","- C4 H6 N2 Se -","- C48 H72 N24 Se12 -","12","3","","Victoria K. Landry; Mao Minoura; Keliang Pang; Daniela Buccella; Bryte V. Kelly; Gerard Parkin","Synthesis and Structural Characterization of 1-Mesityl-1,3-dihydro-imidazole-2-selone and Bis(1-mesitylimidazol-2-yl)diselenide: Experimental Evidence That the Selone Is More Stable Than the Selenol Tautomer","Journal of the American Chemical Society","2006","128","","12490","12497","10.1021/ja063168e","","","0.71073","MoKα","","0.0657","0.0319","","","0.0738","0.085","","","","","","1.096","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110903","9.6793","0.0001","22.4522","0.0003","16.099","0.0002","90","","104.649","0.001","90","","3384.93","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 N4 Ta -","- C35 H53 N4 Ta -","- C140 H212 N16 Ta4 -","4","1","","Liam P. Spencer; Chad Beddie; Michael B. Hall; Michael D. Fryzuk","Synthesis, Reactivity, and DFT Studies of Tantalum Complexes Incorporating Diamido-N-heterocyclic Carbene Ligands. Facile Endocyclic C-H Bond Activation","Journal of the American Chemical Society","2006","128","","12531","12543","10.1021/ja063282x","","","0.71073","MoKα","","0.0271","0.0181","","","0.0394","0.0406","","","","","","1.072","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110904","9.3783","0.0008","11.5711","0.001","14.6775","0.0011","109.568","0.003","90.206","0.003","94.935","0.003","1494.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 Cl N4 Ta -","- C30 H42 Cl N4 Ta -","- C60 H84 Cl2 N8 Ta2 -","2","1","","Liam P. Spencer; Chad Beddie; Michael B. Hall; Michael D. Fryzuk","Synthesis, Reactivity, and DFT Studies of Tantalum Complexes Incorporating Diamido-N-heterocyclic Carbene Ligands. Facile Endocyclic C-H Bond Activation","Journal of the American Chemical Society","2006","128","","12531","12543","10.1021/ja063282x","","","0.71073","MoKα","","0.0518","0.0357","","","0.0751","0.0792","","","","","","1.056","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110905","15.668","0.005","11.495","0.005","19.926","0.005","90","0.005","102.002","0.005","90","0.005","3510","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H42 N7 Ta -","- C31 H42 N7 Ta -","- C124 H168 N28 Ta4 -","4","0.5","","Liam P. Spencer; Chad Beddie; Michael B. Hall; Michael D. Fryzuk","Synthesis, Reactivity, and DFT Studies of Tantalum Complexes Incorporating Diamido-N-heterocyclic Carbene Ligands. Facile Endocyclic C-H Bond Activation","Journal of the American Chemical Society","2006","128","","12531","12543","10.1021/ja063282x","","","0.71069","MoKα","","0.0307","0.0285","","","0.0841","0.0851","","","","","","1.122","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110906","12.669","0.005","11.681","0.005","25.201","0.005","90","0.005","87.021","0.005","90","0.005","3724","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H57 N8 Ta -","- C36 H57 N8 Ta -","- C144 H228 N32 Ta4 -","4","1","","Liam P. Spencer; Chad Beddie; Michael B. Hall; Michael D. Fryzuk","Synthesis, Reactivity, and DFT Studies of Tantalum Complexes Incorporating Diamido-N-heterocyclic Carbene Ligands. Facile Endocyclic C-H Bond Activation","Journal of the American Chemical Society","2006","128","","12531","12543","10.1021/ja063282x","","","0.71073","MoKα","","0.0438","0.0294","","","0.0631","0.0661","","","","","","1.044","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110907","11.0925","0.001","27.769","0.003","13.3194","0.0014","90","","96.253","0.004","90","","4078.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H50 N4 Ta -","- C46 H50 N4 Ta -","- C184 H200 N16 Ta4 -","4","1","","Liam P. Spencer; Chad Beddie; Michael B. Hall; Michael D. Fryzuk","Synthesis, Reactivity, and DFT Studies of Tantalum Complexes Incorporating Diamido-N-heterocyclic Carbene Ligands. Facile Endocyclic C-H Bond Activation","Journal of the American Chemical Society","2006","128","","12531","12543","10.1021/ja063282x","","","0.71073","MoKα","","0.0463","0.0255","","","0.0505","0.055","","","","","","1.011","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110908","8.6675","0.0012","8.6675","0.0012","8.3684","0.0017","90","","90","","90","","628.68","0.18","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Au4 In2 K -","- Au4 In2 K -","- Au16 In8 K4 -","4","0.125","","Bin Li; John D. Corbett","Intermetallic Compounds with 1D Infinite Tunnels. Syntheses and Structures of AAu4In2 (A = K, Rb)","Journal of the American Chemical Society","2006","128","","12392","12393","10.1021/ja063503z","","","0.71073","MoKα","","0.0744","0.0411","","","0.106","0.1116","","","","","","1.028","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110909","8.8349","0.0012","8.8349","0.0012","8.2736","0.0017","90","","90","","90","","645.8","0.18","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Au4 In2 Rb -","- Au4 In2 Rb -","- Au16 In8 Rb4 -","4","0.125","","Bin Li; John D. Corbett","Intermetallic Compounds with 1D Infinite Tunnels. Syntheses and Structures of AAu4In2 (A = K, Rb)","Journal of the American Chemical Society","2006","128","","12392","12393","10.1021/ja063503z","","","0.71073","MoKα","","0.0832","0.054","","","0.1299","0.1363","","","","","","1.247","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110910","8.7852","0.0012","8.7852","0.0012","8.3259","0.0017","90","","90","","90","","642.59","0.18","293","2","293","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Au4 In2 K0.65 Rb0.35 -","- Au4 In2 K0.65 Rb0.35 -","- Au16 In8 K2.6 Rb1.4 -","4","0.125","","Bin Li; John D. Corbett","Intermetallic Compounds with 1D Infinite Tunnels. Syntheses and Structures of AAu4In2 (A = K, Rb)","Journal of the American Chemical Society","2006","128","","12392","12393","10.1021/ja063503z","","","0.71073","MoKα","","0.0735","0.0479","","","0.1128","0.1226","","","","","","1.094","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110911","8.7032","0.0012","8.7032","0.0012","8.337","0.0017","90","","90","","90","","631.49","0.18","293","2","293","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Au4 In2 K0.87 Rb0.13 -","- Au4 In2 K0.87 Rb0.13 -","- Au16 In8 K3.48 Rb0.52 -","4","0.125","","Bin Li; John D. Corbett","Intermetallic Compounds with 1D Infinite Tunnels. Syntheses and Structures of AAu4In2 (A = K, Rb)","Journal of the American Chemical Society","2006","128","","12392","12393","10.1021/ja063503z","","","0.71073","MoKα","","0.0731","0.0396","","","0.0691","0.0732","","","","","","1.35","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110912","10.925","0.002","17.691","0.003","17.158","0.003","90","","94.143","0.003","90","","3307.5","1","297","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 Ni3 P2 S16 -","- C60 H48 Ni3 P2 S16 -","- C120 H96 Ni6 P4 S32 -","2","0.5","","Kazuya Kubo; Akiko Nakao; Hiroshi M. Yamamoto; Reizo Kato","Preparation and Characterization of Conducting Trimetallic Nickel-Dithiolene Complexes with Bridging Tetrathiooxalate Ligands","Journal of the American Chemical Society","2006","128","","12358","12359","10.1021/ja0638004","","","0.7107","MoKα","","","0.0436","","","","0.1367","","","","","","0.726","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110913","11.436","0.002","12.091","0.002","15.359","0.003","74.936","0.013","76.052","0.013","74.564","0.013","1942.8","0.6","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H51 Al B2 N2 O3 -","- C41 H51 Al B2 N2 O3 -","- C82 H102 Al2 B4 N4 O6 -","2","1","","Zhi Yang; Xiaoli Ma; Rainer B. Oswald; Herbert W. Roesky; Mathias Noltemeyer","Synthesis of an Aluminum Spirocyclic Hybrid with an Inorganic B2O3 and an Organic C3N2 Core","Journal of the American Chemical Society","2006","128","","12406","12407","10.1021/ja064035w","","","0.71073","MoKα","","0.2753","0.0912","","","0.1113","0.1646","","","","","","0.815","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110914","14.8773","0.0002","25.2561","0.0003","14.911","0.0002","90","","116.56","0.0005","90","","5011.42","0.11","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2b anion","","","- C72 H164 Li O6 Sb2 Si14 -","- C72 H164 Li O6 Sb2 Si14 -","- C144 H328 Li2 O12 Sb4 Si28 -","2","0.5","","Takahiro Sasamori; Eiko Mieda; Noriyoshi Nagahora; Kazunobu Sato; Daisuke Shiomi; Takeji Takui; Yoshinobu Hosoi; Yukio Furukawa; Nozomi Takagi; Shigeru Nagase; Norihiro Tokitoh","One-Electron Reduction of Kinetically Stabilized Dipnictenes: Synthesis of Dipnictene Anion Radicals","Journal of the American Chemical Society","2006","128","","12582","12588","10.1021/ja064062m","","","0.71069","MoKα","","0.0501","0.0415","","","0.1018","0.1096","","","","","","1.037","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110915","9.272","0.0019","11.005","0.002","17.211","0.003","85.42","0.03","83.28","0.03","78.76","0.03","1707.7","0.6","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H49 B F4 Ir N O3.5 P2 -","- C26 H49 B F4 Ir N O3.5 P2 -","- C52 H98 B2 F8 Ir2 N2 O7 P4 -","2","1","","Moran Feller; Amir Karton; Gregory Leitus; Jan M. L. Martin; David Milstein","Selective sp3 C-H Activation of Ketones at the β Position by Ir(I). Origin of Regioselectivity and Water Effect","Journal of the American Chemical Society","2006","128","","12400","12401","10.1021/ja0641352","","","0.71073","MoKα","","0.0525","0.0484","","","0.126","0.1294","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110916","13.372","0.003","10.47","0.002","23.018","0.005","90","","98.79","0.03","90","","3184.8","1.2","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H53 B F4 Ir N O P2 -","- C28 H53 B F4 Ir N O P2 -","- C112 H212 B4 F16 Ir4 N4 O4 P8 -","4","1","","Moran Feller; Amir Karton; Gregory Leitus; Jan M. L. Martin; David Milstein","Selective sp3 C-H Activation of Ketones at the β Position by Ir(I). Origin of Regioselectivity and Water Effect","Journal of the American Chemical Society","2006","128","","12400","12401","10.1021/ja0641352","","","0.71073","MoKα","","0.042","0.0359","","","0.0967","0.1002","","","","","","1.037","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110917","22.65","0.02","22.65","0.02","21.63","0.02","90","","90","","90","","11097","17","293","2","293","2","","","","","","","","4","P 41","P 4w","76","cucurbit[8]uril/WGG peptide complex","","","- C63 H172 N36 O44 -","- C63 H66 N36 O42 -","- C252 H264 N144 O168 -","4","1","","Lisa M. Heitmann; Alexander B. Taylor; P. John Hart; Adam R. Urbach","Sequence-Specific Recognition and Cooperative Dimerization of N-Terminal Aromatic Peptides in Aqueous Solution by a Synthetic Host","Journal of the American Chemical Society","2006","128","","12574","12581","10.1021/ja064323s","","","0.88559","synchrotron","","0.1301","0.1288","","","0.3464","0.3488","","","","","","2.61","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110918","13.211","0.013","22.65","0.02","38.42","0.04","90","","90","","90","","11496","19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cucurbit[8]uril/FGG peptide complex","","","- C74 H191 N38 O47 -","- C74 H82 N38 O46.5 -","- C296 H328 N152 O186 -","4","1","","Lisa M. Heitmann; Alexander B. Taylor; P. John Hart; Adam R. Urbach","Sequence-Specific Recognition and Cooperative Dimerization of N-Terminal Aromatic Peptides in Aqueous Solution by a Synthetic Host","Journal of the American Chemical Society","2006","128","","12574","12581","10.1021/ja064323s","","","0.95","synchrotron","","0.1308","0.1277","","","0.3408","0.3472","","","","","","2.306","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110919","9.992","0.008","20.362","0.015","8.962","0.007","90","","113.707","0.019","90","","1670","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O2 S -","- C18 H20 N2 O2 S -","- C72 H80 N8 O8 S4 -","4","1","","Sukbok Chang; Minjae Lee; Doo Young Jung; Eun Jeong Yoo; Seung Hwan Cho; Sun Kyu Han","Catalytic One-Pot Synthesis of Cyclic Amidines by Virtue of Tandem Reactions Involving Intramolecular Hydroamination under Mild Conditions","Journal of the American Chemical Society","2006","128","","12366","12367","10.1021/ja064788i","","","0.71073","MoKα","","0.1501","0.077","","","0.1737","0.1989","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110920","13.1543","0.0014","8.2699","0.0009","17.976","0.002","90","","110.089","0.002","90","","1836.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O2 S -","- C20 H24 N2 O2 S -","- C80 H96 N8 O8 S4 -","4","1","","Sukbok Chang; Minjae Lee; Doo Young Jung; Eun Jeong Yoo; Seung Hwan Cho; Sun Kyu Han","Catalytic One-Pot Synthesis of Cyclic Amidines by Virtue of Tandem Reactions Involving Intramolecular Hydroamination under Mild Conditions","Journal of the American Chemical Society","2006","128","","12366","12367","10.1021/ja064788i","","","0.71073","MoKα","","0.0921","0.0476","","","0.0955","0.1053","","","","","","1.004","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110921","12.0355","0.0005","18.2487","0.0008","8.5936","0.0004","90","","97.444","0.003","90","","1871.52","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BSIH","","","- C19 H22 B N3 O3 -","- C19 H22 B N3 O3 -","- C76 H88 B4 N12 O12 -","4","1","","Louise K. Charkoudian; David M. Pham; Katherine J. Franz","A Pro-Chelator Triggered by Hydrogen Peroxide Inhibits Iron-Promoted Hydroxyl Radical Formation","Journal of the American Chemical Society","2006","128","","12424","12425","10.1021/ja064806w","","","0.71073","MoKα","","0.1192","0.0521","","","0.1226","0.1424","","","","","","0.996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110922","19.7499","0.0009","9.2408","0.0005","21.8961","0.001","90","","110.569","0.002","90","","3741.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 O3 Si2 -","- C40 H52 O3 Si2 -","- C160 H208 O12 Si8 -","4","1","","Anne J. McNeil; Peter Müller; James E. Whitten; Timothy M. Swager","Conjugated Polymers in an Arene Sandwich","Journal of the American Chemical Society","2006","128","","12426","12427","10.1021/ja0648099","","","0.71073","MoKα","","0.0592","0.0444","","","0.1088","0.1184","","","","","","1.054","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110923","9.1608","0.0003","16.2457","0.0005","17.4539","0.0005","66.667","0.001","88.147","0.001","75.454","0.001","2302.07","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H60 O3 Si2 -","- C54 H60 O3 Si2 -","- C108 H120 O6 Si4 -","2","1","","Anne J. McNeil; Peter Müller; James E. Whitten; Timothy M. Swager","Conjugated Polymers in an Arene Sandwich","Journal of the American Chemical Society","2006","128","","12426","12427","10.1021/ja0648099","","","0.71073","MoKα","","0.0553","0.0442","","","0.1116","0.1186","","","","","","1.035","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110924","13.0097","0.0005","13.0237","0.0005","13.3955","0.0005","113.905","0.001","113.704","0.001","96.758","0.001","1790","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H76 Cl6 O6 Si2 -","- C82 H76 Cl6 O6 Si2 -","- C82 H76 Cl6 O6 Si2 -","1","0.5","","Anne J. McNeil; Peter Müller; James E. Whitten; Timothy M. Swager","Conjugated Polymers in an Arene Sandwich","Journal of the American Chemical Society","2006","128","","12426","12427","10.1021/ja0648099","","","0.71073","MoKα","","0.0376","0.0339","","","0.0925","0.0954","","","","","","1.051","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110925","11.2561","0.0003","13.258","0.0005","14.5786","0.0005","103.525","0.001","110.068","0.001","95.831","0.001","1947.07","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H108 N2 O4 Si2 -","- C96 H108 N2 O4 Si2 -","- C96 H108 N2 O4 Si2 -","1","0.5","","Anne J. McNeil; Peter Müller; James E. Whitten; Timothy M. Swager","Conjugated Polymers in an Arene Sandwich","Journal of the American Chemical Society","2006","128","","12426","12427","10.1021/ja0648099","","","0.71073","MoKα","","0.0576","0.0489","","","0.1346","0.1427","","","","","","1.029","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110926","12.2073","0.0005","7.8184","0.0004","12.9408","0.0006","90","","91.258","0.003","90","","1234.79","0.1","100","","373","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Br N O -","- C14 H14 Br N O -","- C56 H56 Br4 N4 O4 -","4","2","","Robert T. Yu; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [2+2+2] Cycloaddition of Alkenyl Isocyanates and Terminal Alkynes: Application to the Total Synthesis of (+)-Lasubine II","Journal of the American Chemical Society","2006","128","","12370","12371","10.1021/ja064868m","","","0.71073","MoKα","","0.0722","0.035","","","0.0719","0.0811","","","","","","0.94","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110927","12.5864","0.0008","8.6454","0.0006","17.4451","0.0012","90","","100.668","0.004","90","","1865.5","0.2","100","","373","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Br N O -","- C14 H14 Br N O -","- C84 H84 Br6 N6 O6 -","6","3","","Robert T. Yu; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [2+2+2] Cycloaddition of Alkenyl Isocyanates and Terminal Alkynes: Application to the Total Synthesis of (+)-Lasubine II","Journal of the American Chemical Society","2006","128","","12370","12371","10.1021/ja064868m","","","0.71073","MoKα","","0.0482","0.0327","","","0.0806","0.0895","","","","","","0.744","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110928","7.2167","0.0001","8.1338","0.0002","7.0381","0.0002","90","","92.345","0.001","90","","412.785","0.017","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl H7 N2 O2 -","- Cl H7 N2 O2 -","- Cl4 H28 N8 O8 -","4","1","","Anthony J. Kirby; John E. Davies; Tiago A. S. Brandão; Pedro F. da Silva; Willian R. Rocha; Faruk Nome","Hydroxylamine as an Oxygen Nucleophile. Structure and Reactivity of Ammonia Oxide","Journal of the American Chemical Society","2006","128","","12374","12375","10.1021/ja065147q","","","0.71073","MoKα","","0.0272","0.0227","","","0.0558","0.0576","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110929","14.2376","0.0014","8.0308","0.0008","14.768","0.0015","90","","116.56","0.001","90","","1510.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 2-oxo-5,5-diphenyl-5,6-dihydropyridine-1(2H)-carboxylate","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Howard E. Zimmerman; Oleg D. Mitkin","Conical Intersection Control of Heterocyclic Photochemical Bond Scission1,2","Journal of the American Chemical Society","2006","128","","12743","12749","10.1021/ja061851v","","","0.71073","MoKα","","0.0422","0.0355","","","0.0909","0.0968","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110930","31.325","0.006","23.191","0.005","21.748","0.004","90","","128.604","0.003","90","","12347","4","153","","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C110 H90 N24 O25 Re6 S5 -","- C110 H78 N24 O25 Re6 S5 -","- C440 H312 N96 O100 Re24 S20 -","4","0.5","","Peter H. Dinolfo; Veaceslav Coropceanu; Jean-Luc Brédas; Joseph T. Hupp","A New Class of Mixed-Valence Systems with Orbitally Degenerate Organic Redox Centers. Examples Based on Hexa-Rhenium Molecular Prisms","Journal of the American Chemical Society","2006","128","","12592","12593","10.1021/ja0623764","","","0.71069","MoKα","","0.0787","0.0448","","","0.1056","0.1275","","","","","","1.034","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110931","13.046","0.002","13.046","0.002","36.506","0.012","90","","90","","120","","5381","2","293","2","293","2","","","","","","","","8","P 31","P 31","144","","","","- C75 H58 B F24 Ir N O P -","- C75 H58 B F24 Ir N O P -","- C225 H174 B3 F72 Ir3 N3 O3 P3 -","3","1","","Shou-Fei Zhu; Jian-Bo Xie; Yong-Zhen Zhang; Shen Li; Qi-Lin Zhou","Well-Defined Chiral Spiro Iridium/Phosphine-Oxazoline Cationic Complexes for Highly Enantioselective Hydrogenation of Imines at Ambient Pressure","Journal of the American Chemical Society","2006","128","","12886","12891","10.1021/ja063444p","","","0.71073","MoKα","","0.0696","0.0529","","","0.1064","0.1119","","","","","","1.101","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110932","13.888","0.004","20.666","0.006","25.416","0.008","90","","90","","90","","7295","4","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C75 H58 B F24 Ir N O P -","- C75 H58 B F24 Ir N O P -","- C300 H232 B4 F96 Ir4 N4 O4 P4 -","4","1","","Shou-Fei Zhu; Jian-Bo Xie; Yong-Zhen Zhang; Shen Li; Qi-Lin Zhou","Well-Defined Chiral Spiro Iridium/Phosphine-Oxazoline Cationic Complexes for Highly Enantioselective Hydrogenation of Imines at Ambient Pressure","Journal of the American Chemical Society","2006","128","","12886","12891","10.1021/ja063444p","","","0.71073","MoKα","","0.1235","0.0591","","","0.1219","0.1514","","","","","","1.028","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110933","9.708","0.005","13.803","0.008","18.973","0.01","90","","90","","90","","2542","2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Br N -","- C14 H14 Br N -","- C112 H112 Br8 N8 -","8","2","","Shou-Fei Zhu; Jian-Bo Xie; Yong-Zhen Zhang; Shen Li; Qi-Lin Zhou","Well-Defined Chiral Spiro Iridium/Phosphine-Oxazoline Cationic Complexes for Highly Enantioselective Hydrogenation of Imines at Ambient Pressure","Journal of the American Chemical Society","2006","128","","12886","12891","10.1021/ja063444p","","","0.71073","MoKα","","0.136","0.0396","","","0.0667","0.0894","","","","","","0.982","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110934","8.2906","0.001","8.6854","0.001","9.0243","0.0011","100.346","0.002","91.249","0.002","117.88","0.002","560.85","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C24 H26 N2 O6 -","2","1","","Ji Min Lee; Doo-Sik Ahn; Doo Young Jung; Junseung Lee; Youngkyu Do; Sang Kyu Kim; Sukbok Chang","Hydrogen-Bond-Directed Highly Stereoselective Synthesis of Z-Enamides via Pd-Catalyzed Oxidative Amidation of Conjugated Olefins","Journal of the American Chemical Society","2006","128","","12954","12962","10.1021/ja0639315","","","0.71073","MoKα","","0.0937","0.0467","","","0.1042","0.1223","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110935","12.65","0.07","8.84","0.03","10.87","0.05","90","","110.78","0.13","90","","1136","9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","","Ji Min Lee; Doo-Sik Ahn; Doo Young Jung; Junseung Lee; Youngkyu Do; Sang Kyu Kim; Sukbok Chang","Hydrogen-Bond-Directed Highly Stereoselective Synthesis of Z-Enamides via Pd-Catalyzed Oxidative Amidation of Conjugated Olefins","Journal of the American Chemical Society","2006","128","","12954","12962","10.1021/ja0639315","","","0.71073","MoKα","","0.2466","0.0929","","","0.2063","0.2623","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110936","8.427","0.0004","12.16","0.0005","16.837","0.0007","95.477","0.002","91.773","0.002","94.758","0.003","1710.22","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","N-(2-tert-Butylphenyl)-N-(4-nitrophenyl)propanamide","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","2","","Osamu Kitagawa; Masatoshi Yoshikawa; Hajime Tanabe; Tomofumi Morita; Masashi Takahashi; Yasuo Dobashi; Takeo Taguchi","Highly Enantioselective Synthesis of Atropisomeric Anilide Derivatives through Catalytic Asymmetric N-Arylation: Conformational Analysis and Application to Asymmetric Enolate Chemistry","Journal of the American Chemical Society","2006","128","","12923","12931","10.1021/ja064026n","","","0.71073","MoKα","","0.0518","0.0417","","","0.1145","0.118","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110937","7.149","0.0003","16.931","0.0012","13.2","0.0009","90","","98.887","0.004","90","","1578.54","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(2-tert-Butylphenyl)-N-phenylpropanamide","","- C19 H23 N O -","- C19 H23 N O -","- C76 H92 N4 O4 -","4","2","","Osamu Kitagawa; Masatoshi Yoshikawa; Hajime Tanabe; Tomofumi Morita; Masashi Takahashi; Yasuo Dobashi; Takeo Taguchi","Highly Enantioselective Synthesis of Atropisomeric Anilide Derivatives through Catalytic Asymmetric N-Arylation: Conformational Analysis and Application to Asymmetric Enolate Chemistry","Journal of the American Chemical Society","2006","128","","12923","12931","10.1021/ja064026n","","x-ray","0.71073","MoKα","","0.0524","0.0422","","","0.0983","0.101","","","","","","0.949","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110938","3.82416","0.00012","3.82416","","29.3269","0.0012","90","","90","","90","","428.88","0.02","443","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Co0.75 Fe0.75 La0.5 O3.78 Sr1.5 -","- Co0.75 Fe0.75 La0.5 O3.777 Sr1.5 -","- Co3 Fe3 La2 O15.108 Sr6 -","4","0.125","","Amy Bowman; Mathieu Allix; Denis Pelloquin; Matthew J. Rosseinsky","Three-Coordinate Metal Centers in Extended Transition Metal Oxides","Journal of the American Chemical Society","2006","128","","12606","12607","10.1021/ja064083g","powder diffraction","neutron","1.8885","neutron","","","","","","","","0.07703","","1.03","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4110939","4.2862","0.0006","25.304","0.003","4.2883","0.0004","90","","90","","90","","465.1","0.1","","","300","0.3","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ho Te3 -","- Ho Te3 -","- Ho4 Te12 -","4","0.25","","Christos D. Malliakas; Mercouri G. Kanatzidis","Divergence in the Behavior of the Charge Density Wave inRETe3 (RE = Rare-Earth Element) with Temperature and RE Element","Journal of the American Chemical Society","2006","128","","12612","12613","10.1021/ja0641608","","","0.71073","MoKα","","0.0415","0.0415","","","0.1217","0.1217","","","","2.97","2.97","2.97","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110940","4.2772","0.0008","25.275","0.006","4.2787","0.0008","90","","90","","90","","462.55","0.16","","","300","0.3","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Er Te3 -","- Er Te3 -","- Er4 Te12 -","4","0.25","","Christos D. Malliakas; Mercouri G. Kanatzidis","Divergence in the Behavior of the Charge Density Wave inRETe3 (RE = Rare-Earth Element) with Temperature and RE Element","Journal of the American Chemical Society","2006","128","","12612","12613","10.1021/ja0641608","","","0.71073","MoKα","","0.0616","0.0591","","","0.1764","0.177","","","","3.73","3.73","3.62","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110941","4.2718","0.0005","25.19","0.003","4.2804","0.0007","90","","90","","90","","460.6","0.11","","","300","0.3","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Te3 Tm -","- Te3 Tm -","- Te12 Tm4 -","4","0.25","","Christos D. Malliakas; Mercouri G. Kanatzidis","Divergence in the Behavior of the Charge Density Wave inRETe3 (RE = Rare-Earth Element) with Temperature and RE Element","Journal of the American Chemical Society","2006","128","","12612","12613","10.1021/ja0641608","","","0.71073","MoKα","","0.0312","0.0312","","","0.1259","0.1259","","","","3.02","3.02","3.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110942","4.402","0.003","25.72","0.02","4.36","0.003","90","","90","","90","","493.6","0.6","","","500","0.3","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Nd Te3 -","- Nd Te3 -","- Nd4 Te12 -","4","0.25","","Christos D. Malliakas; Mercouri G. Kanatzidis","Divergence in the Behavior of the Charge Density Wave inRETe3 (RE = Rare-Earth Element) with Temperature and RE Element","Journal of the American Chemical Society","2006","128","","12612","12613","10.1021/ja0641608","","","0.71073","MoKα","","0.0249","0.0243","","","0.074","0.0741","","","","1.68","1.68","1.67","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110943","4.3343","0.0013","25.674","0.01","4.347","0.0015","90","","90","","90","","483.7","0.3","","","500","0.3","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Sm Te3 -","- Sm Te3 -","- Sm4 Te12 -","4","0.25","","Christos D. Malliakas; Mercouri G. Kanatzidis","Divergence in the Behavior of the Charge Density Wave inRETe3 (RE = Rare-Earth Element) with Temperature and RE Element","Journal of the American Chemical Society","2006","128","","12612","12613","10.1021/ja0641608","","","0.71073","MoKα","","0.0281","0.0269","","","0.0698","0.0701","","","","1.58","1.58","1.55","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110944","10.5531","0.0007","14.559","0.0011","16.1074","0.0014","80.593","0.007","76.37","0.007","88.287","0.006","2372.6","0.3","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C49 H30 Cl0 F12 N7.5 P2 Ru -","- C49 H30 F12 N7.5 P2 Ru -","- C98 H60 F24 N15 P4 Ru2 -","2","2","","Maria Abrahamsson; Michael Jäger; Tomas Österman; Lars Eriksson; Petter Persson; Hans-Christian Becker; Olof Johansson; Leif Hammarström","A 3.0 μs Room Temperature Excited State Lifetime of a Bistridentate RuII-Polypyridine Complex for Rod-like Molecular Arrays","Journal of the American Chemical Society","2006","128","","12616","12617","10.1021/ja064262y","","","0.7093","","","0.2258","0.068","","","0.1419","0.1733","","","","","","0.714","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110945","10.4063","0.0006","16.072","0.0006","10.7581","0.0006","90","","103.644","0.002","90","","1748.52","0.16","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C27 H38 Cl8 N2 Se Sn -","- C27 H38 Cl8 N2 Se Sn -","- C54 H76 Cl16 N4 Se2 Sn2 -","2","0.5","","Jason L. Dutton; Heikki M. Tuononen; Michael C. Jennings; Paul J. Ragogna","Extending the Series: Synthesis and Characterization of a Dicationic N-Heterocyclic Selenium Carbene Analogue","Journal of the American Chemical Society","2006","128","","12624","12625","10.1021/ja064381d","","","0.71073","MoKα","","0.0697","0.0469","","","0.1141","0.1249","","","","","","1.044","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110946","11.4709","0.0019","14.719","0.002","7.6744","0.0013","90","","102.248","0.002","90","","1266.3","0.3","141","2","141","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 I2 N4 U -","- C20 H32 I2 N4 U -","- C40 H64 I4 N8 U2 -","2","0.5","","Trevor W. Hayton; James M. Boncella; Brian L. Scott; Enrique R. Batista","Exchange of an Imido Ligand in Bis(imido) Complexes of Uranium","Journal of the American Chemical Society","2006","128","","12622","12623","10.1021/ja064400j","","","0.71073","MoKα","","0.0646","0.0385","","","0.0654","0.0723","","","","","","1.026","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110947","10.2898","0.0015","11.3121","0.0016","21.958","0.003","90","","98.998","0.002","90","","2524.4","0.6","141","2","141","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 I2 N3 O2 U -","- C20 H31 I2 N3 O2 U -","- C80 H124 I8 N12 O8 U4 -","4","1","","Trevor W. Hayton; James M. Boncella; Brian L. Scott; Enrique R. Batista","Exchange of an Imido Ligand in Bis(imido) Complexes of Uranium","Journal of the American Chemical Society","2006","128","","12622","12623","10.1021/ja064400j","","","0.71073","MoKα","","0.062","0.0343","","","0.0685","0.0759","","","","","","1.034","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110948","10.4687","0.001","19.2378","0.0019","21.236","0.002","93.174","0.002","95.153","0.002","93.134","0.002","4245.3","0.7","141","2","141","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H46 I2 N O3 P2 U -","- C40 H39 I2 N O3 P2 U -","- C160 H156 I8 N4 O12 P8 U4 -","4","2","","Trevor W. Hayton; James M. Boncella; Brian L. Scott; Enrique R. Batista","Exchange of an Imido Ligand in Bis(imido) Complexes of Uranium","Journal of the American Chemical Society","2006","128","","12622","12623","10.1021/ja064400j","","","0.71073","MoKα","","0.1031","0.0569","","","0.128","0.1431","","","","","","0.968","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110949","13.0789","0.0013","14.9759","0.0015","20.744","0.002","90","","90","","90","","4063.1","0.7","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H56 B La -","- C50 H56 B La -","- C200 H224 B4 La4 -","4","1","","Hiyam Hamaed; Andy Y. H. Lo; David S. Lee; William J. Evans; Robert W. Schurko","Solid-State 139La and 15N NMR Spectroscopy of Lanthanum-Containing Metallocenes","Journal of the American Chemical Society","2006","128","","12638","12639","10.1021/ja0645180","","","0.71073","MoKα","","0.0249","0.0203","","","0.0481","0.0519","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110950","10.553","0.005","16.745","0.006","12.475","0.004","90","","107.416","0.016","90","","2103.4","1.4","136","2","136","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C47 H52 Au2 N2 O9 P2 -","- C47 H52 Au2 N2 O9 P2 -","- C94 H104 Au4 N4 O18 P4 -","2","1","","Andrea Deák; Tünde Megyes; Gábor Tárkányi; Péter Király; László Biczók; Gábor Pálinkás; Peter J. Stang","Synthesis and Solution- and Solid-State Characterization of Gold(I) Rings with Short Au...Au Interactions. Spontaneous Resolution of a Gold(I) Complex","Journal of the American Chemical Society","2006","128","","12668","12670","10.1021/ja064609x","","","0.7107","MoKα","","0.0495","0.0449","","","0.0997","0.1038","","","","","","1.066","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110951","28.183","0.007","18.296","0.004","18.923","0.004","90","","121.486","0.008","90","","8321","3","134","2","134","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H80 Au2 Cl8 N2 O12 P4 -","- C82 H80 Au2 Cl8 N2 O12 P4 -","- C328 H320 Au8 Cl32 N8 O48 P16 -","4","0.5","","Andrea Deák; Tünde Megyes; Gábor Tárkányi; Péter Király; László Biczók; Gábor Pálinkás; Peter J. Stang","Synthesis and Solution- and Solid-State Characterization of Gold(I) Rings with Short Au...Au Interactions. Spontaneous Resolution of a Gold(I) Complex","Journal of the American Chemical Society","2006","128","","12668","12670","10.1021/ja064609x","","","0.7107","MoKα","","0.0377","0.0306","","","0.0624","0.0675","","","","","","1.041","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110952","11.657","0.0007","15.466","0.001","15.86","0.001","62.647","0.003","76.458","0.003","89.571","0.003","2452.4","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C51.5 H60 Cl N5 O5 S2 -","- C49 H54 Cl N5 O5 S2 -","- C98 H108 Cl2 N10 O10 S4 -","2","1","","Jonathan L. Sessler; Dong-Gyu Cho; Marcin Stępień; Vincent Lynch; Jacek Waluk; Zin Seok Yoon; Dongho Kim","Inverted Sapphyrin: A New Family of Doubly N-Confused Expanded Porphyrins","Journal of the American Chemical Society","2006","128","","12640","12641","10.1021/ja064675z","","","0.71073","MoKα","","0.172","0.0784","","","0.1574","0.1772","","","","","","1.152","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110953","11.099","0.002","20.496","0.004","14.776","0.003","90","","103.88","0.02","90","","3263.2","1.1","299","","","","","","","","","","Local laboratory","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H43 N O3 S Si2 -","- C31 H43 N O3 S Si2 -","- C124 H172 N4 O12 S4 Si8 -","4","1","","Per Restorp; Andreas Fischer; Peter Somfai","Stereoselective Synthesis of Functionalized Pyrrolidines via a [3 + 2]-Annulation of N-Ts-α-Amino Aldehydes and 1,3-Bis(silyl)propenes","Journal of the American Chemical Society","2006","128","","12646","12647","10.1021/ja0647102","","","0.71073","MoKα","","0.1636","0.0846","","","0.1283","0.1644","","","","","","1.214","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110954","11.2946","0.0008","12.0512","0.0008","15.9865","0.0011","69.859","0.001","73.131","0.001","71.126","0.001","1893.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H37 I O P2 Pd -","- C45 H37 I O P2 Pd -","- C90 H74 I2 O2 P4 Pd2 -","2","1","","Vladimir V. Grushin; William J. Marshall","Facile Ar-CF3 Bond Formation at Pd. Strikingly Different Outcomes of Reductive Elimination from [(Ph3P)2Pd(CF3)Ph] and [(Xantphos)Pd(CF3)Ph]","Journal of the American Chemical Society","2006","128","","12644","12645","10.1021/ja064935c","","","0.71073","MoKα","","0.0294","0.0235","","","0.0558","0.0585","","","","","","1.03","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110955","11.3897","0.0008","11.2044","0.0008","28.4508","0.0019","90","","96.773","0.001","90","","3605.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H37 F O P2 Pd -","- C45 H37 F O P2 Pd -","- C180 H148 F4 O4 P8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Facile Ar-CF3 Bond Formation at Pd. Strikingly Different Outcomes of Reductive Elimination from [(Ph3P)2Pd(CF3)Ph] and [(Xantphos)Pd(CF3)Ph]","Journal of the American Chemical Society","2006","128","","12644","12645","10.1021/ja064935c","","","0.71073","MoKα","","0.0482","0.0325","","","0.0722","0.0786","","","","","","1.022","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110956","15.9076","0.0015","9.1883","0.0009","32.968","0.003","90","","94.173","0.002","90","","4806","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H52 F O P2 Pd -","- C60 H52 F O P2 Pd -","- C240 H208 F4 O4 P8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Facile Ar-CF3 Bond Formation at Pd. Strikingly Different Outcomes of Reductive Elimination from [(Ph3P)2Pd(CF3)Ph] and [(Xantphos)Pd(CF3)Ph]","Journal of the American Chemical Society","2006","128","","12644","12645","10.1021/ja064935c","","","0.71073","MoKα","","0.067","0.0409","","","0.0822","0.0916","","","","","","1.041","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110957","11.6282","0.001","12.3479","0.001","14.1823","0.0013","100.989","0.002","92.266","0.002","105.52","0.001","1917.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H37 F3 O P2 Pd -","- C46 H37 F3 O P2 Pd -","- C92 H74 F6 O2 P4 Pd2 -","2","1","","Vladimir V. Grushin; William J. Marshall","Facile Ar-CF3 Bond Formation at Pd. Strikingly Different Outcomes of Reductive Elimination from [(Ph3P)2Pd(CF3)Ph] and [(Xantphos)Pd(CF3)Ph]","Journal of the American Chemical Society","2006","128","","12644","12645","10.1021/ja064935c","","","0.71073","MoKα","","0.0656","0.048","","","0.1121","0.1195","","","","","","1.109","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110958","35.993","0.003","9.4686","0.0008","23.5159","0.0019","90","","95.142","0.001","90","","7982","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H38 Cl F3 O P2 Pd -","- C47 H37 Cl F3 O P2 Pd -","- C376 H296 Cl8 F24 O8 P16 Pd8 -","8","1","","Vladimir V. Grushin; William J. Marshall","Facile Ar-CF3 Bond Formation at Pd. Strikingly Different Outcomes of Reductive Elimination from [(Ph3P)2Pd(CF3)Ph] and [(Xantphos)Pd(CF3)Ph]","Journal of the American Chemical Society","2006","128","","12644","12645","10.1021/ja064935c","","","0.71073","MoKα","","0.0589","0.0382","","","0.084","0.0949","","","","","","1.018","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110959","16.333","0.002","10.5069","0.0014","21.475","0.003","90","","98.083","0.002","90","","3648.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H35 F3 P2 Pd -","- C43 H35 F3 P2 Pd -","- C172 H140 F12 P8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Facile Ar-CF3 Bond Formation at Pd. Strikingly Different Outcomes of Reductive Elimination from [(Ph3P)2Pd(CF3)Ph] and [(Xantphos)Pd(CF3)Ph]","Journal of the American Chemical Society","2006","128","","12644","12645","10.1021/ja064935c","","","0.71073","MoKα","","0.0502","0.0342","","","0.0732","0.0807","","","","","","1.061","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110960","14.3668","0.0006","15.0433","0.0007","18.6978","0.0008","90","","104.18","0.0008","90","","3917.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44.67 H35 F8 I0.33 P2 Pd -","- C44.6658 H35 F7.9974 I0.3342 P2 Pd -","- C178.663 H140 F31.9896 I1.3368 P8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Facile Ar-CF3 Bond Formation at Pd. Strikingly Different Outcomes of Reductive Elimination from [(Ph3P)2Pd(CF3)Ph] and [(Xantphos)Pd(CF3)Ph]","Journal of the American Chemical Society","2006","128","","12644","12645","10.1021/ja064935c","","","0.71073","MoKα","","0.038","0.031","","","0.0759","0.0797","","","","","","1.019","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110961","10.3864","0.0011","13.3088","0.0014","14.5812","0.0015","99.118","0.002","90.04","0.001","97.945","0.001","1970.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C45.5 H38 F3 I O P2 Pd -","- C45.9605 H38 F3 I1.0395 O P2 Pd -","- C91.921 H76 F6 I2.079 O2 P4 Pd2 -","2","1","","Vladimir V. Grushin; William J. Marshall","Facile Ar-CF3 Bond Formation at Pd. Strikingly Different Outcomes of Reductive Elimination from [(Ph3P)2Pd(CF3)Ph] and [(Xantphos)Pd(CF3)Ph]","Journal of the American Chemical Society","2006","128","","12644","12645","10.1021/ja064935c","","","0.71073","MoKα","","0.0414","0.0317","","","0.0846","0.0923","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110962","17.7357","0.0013","18.2365","0.0013","18.8081","0.0013","90","","97.152","0.002","90","","6035.9","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H64 O2 P4 Pd -","- C78 H64 O2 P4 Pd -","- C312 H256 O8 P16 Pd4 -","4","0.5","","Vladimir V. Grushin; William J. Marshall","Facile Ar-CF3 Bond Formation at Pd. Strikingly Different Outcomes of Reductive Elimination from [(Ph3P)2Pd(CF3)Ph] and [(Xantphos)Pd(CF3)Ph]","Journal of the American Chemical Society","2006","128","","12644","12645","10.1021/ja064935c","","","0.71073","MoKα","","0.0532","0.0379","","","0.0897","0.098","","","","","","1.024","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110963","6.8752","0.0003","7.0092","0.0003","8.7362","0.0003","81.798","0.002","69.646","0.002","85.723","0.002","390.53","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C Al Cl4 Cu O -","- C Al Cl4 Cu O -","- C2 Al2 Cl8 Cu2 O2 -","2","1","","Michael D. Capracotta; Roger M. Sullivan; James D. Martin","Sorptive Reconstruction of CuMCl4 (M = Al and Ga) upon Small-Molecule Binding and the Competitive Binding of CO and Ethylene","Journal of the American Chemical Society","2006","128","","13463","13473","10.1021/ja063172q","","","0.71073","MoKα","","0.0436","0.0341","","","0.0941","0.0978","","","","","","1.115","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110964","5.4119","0.0004","5.4119","","10.2007","0.0017","90","","90","","90","","298.76","0.05","288","","288","","","","","","","","","3","P -4 2 c","P -4 2c","112","","","","- Cl4 Cu Ga -","- Cl4 Cu Ga -","- Cl8 Cu2 Ga2 -","2","0.25","","Michael D. Capracotta; Roger M. Sullivan; James D. Martin","Sorptive Reconstruction of CuMCl4 (M = Al and Ga) upon Small-Molecule Binding and the Competitive Binding of CO and Ethylene","Journal of the American Chemical Society","2006","128","","13463","13473","10.1021/ja063172q","powder diffraction","x-ray","0.92137","","","","","","","","","0.39704","","30.81","","","","","","","has coordinates,has Fobs","178880","2020-10-21","18:00:00",""
"4110965","6.8769","0.001","7.0155","0.0011","8.7594","0.0016","80.998","0.018","69.454","0.013","85.731","0.018","390.75","0.12","","","288","","","","","","","","","5","P -1","-P 1","2","","","","- C Cl4 Cu Ga O -","- C Cl4 Cu Ga O -","- C2 Cl8 Cu2 Ga2 O2 -","2","1","","Michael D. Capracotta; Roger M. Sullivan; James D. Martin","Sorptive Reconstruction of CuMCl4 (M = Al and Ga) upon Small-Molecule Binding and the Competitive Binding of CO and Ethylene","Journal of the American Chemical Society","2006","128","","13463","13473","10.1021/ja063172q","powder diffraction","x-ray","0.92137","","","","","","","","","0.39704","","30.81","","","","","","","has coordinates,has Fobs","178880","2020-10-21","18:00:00",""
"4110966","12.6185","0.0002","21.3367","0.0003","10.431","0.0001","90","","90","","90","","2808.41","0.07","173","1","173","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H40 Cl2 Fe N2 -","- C28 H40 Cl2 Fe N2 -","- C112 H160 Cl8 Fe4 N8 -","4","0.5","","Gwendal Kervern; Guido Pintacuda; Yong Zhang; Eric Oldfield; Charbel Roukoss; Emile Kuntz; Eberhardt Herdtweck; Jean-Marie Basset; Sylvian Cadars; Anne Lesage; Christophe Copéret; Lyndon Emsley","Solid-State NMR of a Paramagnetic DIAD-FeII Catalyst: Sensitivity, Resolution Enhancement, and Structure-Based Assignments","Journal of the American Chemical Society","2006","128","","13545","13552","10.1021/ja063510n","","","0.71073","MoKα","","0.0358","0.033","","","0.0704","0.0716","","","","","","1.167","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110967","14.698","0.005","19.752","0.006","20.37","0.007","96.911","0.009","110.227","0.009","111.428","0.009","4955","3","137","2","137","2","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H63.5 Br2 N2 O10 -","- C49.5 H63.5 Br2 N2 O10 -","- C198 H254 Br8 N8 O40 -","4","2","","Andrzej Rajca; Sumit Mukherjee; Maren Pink; Suchada Rajca","Exchange Coupling Mediated Through-Bonds and Through-Space in Conformationally Constrained Polyradical Scaffolds: Calix[4]arene Nitroxide Tetraradicals and Diradical","Journal of the American Chemical Society","2006","128","","13497","13507","10.1021/ja063567+","","","0.71073","MoKα","","0.0885","0.0483","","","0.1085","0.1257","","","","","","1.014","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110968","14.92","0.004","35.167","0.009","10.593","0.003","90","","100.379","0.007","90","","5467","3","137","2","137","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H80 N4 O12 -","- C56 H80 N4 O12 -","- C224 H320 N16 O48 -","4","1","","Andrzej Rajca; Sumit Mukherjee; Maren Pink; Suchada Rajca","Exchange Coupling Mediated Through-Bonds and Through-Space in Conformationally Constrained Polyradical Scaffolds: Calix[4]arene Nitroxide Tetraradicals and Diradical","Journal of the American Chemical Society","2006","128","","13497","13507","10.1021/ja063567+","","","0.71073","MoKα","","0.0668","0.0461","","","0.1141","0.1276","","","","","","1.019","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4110969","14.9396","0.0008","16.2602","0.001","13.6584","0.0007","90","","106.317","0.003","90","","3184.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H49 Fe N3 -","- C37 H49 Fe N3 -","- C148 H196 Fe4 N12 -","4","1","","Bouwkamp, Marco W.; Bowman, Amanda C.; Lobkovsky, Emil; Chirik, Paul J.","Iron-Catalyzed [2π + 2π] Cycloaddition of α,ω-Dienes: The Importance of Redox-Active Supporting Ligands","Journal of the American Chemical Society","2006","128","41","13340","13341","10.1021/ja064711u","","","0.71073","MoKα","","0.051","0.0349","","","0.0915","0.0999","","","","","","1.027","","","","has coordinates","218369","2020-10-21","18:00:00",""
"4110970","11.0307","0.0018","14.88","0.003","25.262","0.006","85.5","0.008","83.981","0.009","70.737","0.009","3888.5","1.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H54 Fe N4 -","- C39 H54 Fe N4 -","- C156 H216 Fe4 N16 -","4","2","","Bouwkamp, Marco W.; Bowman, Amanda C.; Lobkovsky, Emil; Chirik, Paul J.","Iron-Catalyzed [2π + 2π] Cycloaddition of α,ω-Dienes: The Importance of Redox-Active Supporting Ligands","Journal of the American Chemical Society","2006","128","41","13340","13341","10.1021/ja064711u","","","0.71073","MoKα","","0.0986","0.0581","","","0.1371","0.1495","","","","","","0.999","","","","has coordinates","218370","2020-10-21","18:00:00",""
"4110971","13.854","0.018","21.04","0.02","18.74","0.03","90","","93.21","0.08","90","","5454","12","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H94 N2 P Ti -","- C58 H94 N2 P Ti -","- C232 H376 N8 P4 Ti4 -","4","1","","Guangyu Zhao; Falguni Basuli; Uriah J. Kilgore; Hongjun Fan; Halikhedkar Aneetha; John C. Huffman; Gang Wu; Daniel J. Mindiola","Neutral and Zwitterionic Low-Coordinate Titanium Complexes Bearing the Terminal Phosphinidene Functionality. Structural, Spectroscopic, Theoretical, and Catalytic Studies Addressing the Ti-P Multiple Bond","Journal of the American Chemical Society","2006","128","","13575","13585","10.1021/ja064853o","","","0.71073","MoKα","","0.0815","0.0426","","","0.0658","0.0735","","","","","","0.797","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110972","11.104","0.002","21.191","0.004","21.135","0.004","90","","102.302","0.005","90","","4859","1.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H79 N2 P Ti -","- C51 H79 N2 P Ti -","- C204 H316 N8 P4 Ti4 -","4","1","","Guangyu Zhao; Falguni Basuli; Uriah J. Kilgore; Hongjun Fan; Halikhedkar Aneetha; John C. Huffman; Gang Wu; Daniel J. Mindiola","Neutral and Zwitterionic Low-Coordinate Titanium Complexes Bearing the Terminal Phosphinidene Functionality. Structural, Spectroscopic, Theoretical, and Catalytic Studies Addressing the Ti-P Multiple Bond","Journal of the American Chemical Society","2006","128","","13575","13585","10.1021/ja064853o","","","0.71073","MoKα","","0.0815","0.0442","","","0.0977","0.1097","","","","","","0.911","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110973","14.5495","0.001","20.0614","0.0014","24.8462","0.0017","90","","90.677","0.002","90","","7251.7","0.9","119","2","119","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H85 B F16.57 N2 P Ti -","- C78 H84 B F16.574 N2 P Ti -","- C312 H336 B4 F66.296 N8 P4 Ti4 -","4","1","","Guangyu Zhao; Falguni Basuli; Uriah J. Kilgore; Hongjun Fan; Halikhedkar Aneetha; John C. Huffman; Gang Wu; Daniel J. Mindiola","Neutral and Zwitterionic Low-Coordinate Titanium Complexes Bearing the Terminal Phosphinidene Functionality. Structural, Spectroscopic, Theoretical, and Catalytic Studies Addressing the Ti-P Multiple Bond","Journal of the American Chemical Society","2006","128","","13575","13585","10.1021/ja064853o","","","0.71073","MoKα","","0.0666","0.0367","","","0.0846","0.0942","","","","","","0.935","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110974","9.0548","0.0005","14.5893","0.0007","15.6973","0.0008","84.429","0.002","83.604","0.002","79.376","0.002","2019.2","0.18","100","2","100","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C27 H63 Mg2 N3 O Si6 -","- C27 H63 Mg2 N3 O Si6 -","- C54 H126 Mg4 N6 O2 Si12 -","2","1","","Xuyang He; J. Jacob Morris; Bruce C. Noll; Seth N. Brown; Kenneth W. Henderson","Kinetics and Mechanism of Ketone Enolization Mediated by Magnesium Bis(hexamethyldisilazide)","Journal of the American Chemical Society","2006","128","","13599","13610","10.1021/ja064927w","","x-ray","0.71073","MoKα","","0.0493","0.0377","","","0.0994","0.1106","","","","","","1.108","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110975","21.135","0.003","8.3722","0.001","37.287","0.005","90","","93.029","0.002","90","","6588.6","1.5","100","2","100","2","","","","","","","synthesized","6","C 1 2/c 1","-C 2yc","15","Mg(HMDS)~2~ Pivalone","","","- C21 H54 Mg N2 O Si4 -","- C21 H54 Mg N2 O Si4 -","- C168 H432 Mg8 N16 O8 Si32 -","8","1","","Xuyang He; J. Jacob Morris; Bruce C. Noll; Seth N. Brown; Kenneth W. Henderson","Kinetics and Mechanism of Ketone Enolization Mediated by Magnesium Bis(hexamethyldisilazide)","Journal of the American Chemical Society","2006","128","","13599","13610","10.1021/ja064927w","","x-ray","0.71073","MoKα","","0.0908","0.0851","","","0.199","0.2021","","","","","","1.291","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110976","8.3655","0.0002","20.6214","0.0006","18.7658","0.0005","90","","100.694","0.001","90","","3181.03","0.15","100","2","100","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","Mg(HMDS)2 Pivalophenone","","","- C23 H50 Mg N2 O Si4 -","- C23 H50 Mg N2 O Si4 -","- C92 H200 Mg4 N8 O4 Si16 -","4","1","","Xuyang He; J. Jacob Morris; Bruce C. Noll; Seth N. Brown; Kenneth W. Henderson","Kinetics and Mechanism of Ketone Enolization Mediated by Magnesium Bis(hexamethyldisilazide)","Journal of the American Chemical Society","2006","128","","13599","13610","10.1021/ja064927w","","x-ray","0.71073","MoKα","","0.0389","0.0286","","","0.0734","0.0791","","","","","","1.028","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110977","13.1358","0.0007","14.8678","0.0007","26.791","0.007","90","","97.487","0.01","90","","5187.7","1.4","","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H20 Br F3 N2 O3 -","- C30 H20 Br F3 N2 O3 -","- C240 H160 Br8 F24 N16 O24 -","8","2","","Ciby J. Abraham; Daniel H. Paull; Michael T. Scerba; James W. Grebinski; Thomas Lectka","Catalytic, Enantioselective Bifunctional Inverse Electron Demand Hetero-Diels-Alder Reactions of Ketene Enolates and o-Benzoquinone Diimides","Journal of the American Chemical Society","2006","128","","13370","13371","10.1021/ja065754d","","","0.71073","","","0.0829","0.0456","","","0.0522","0.0567","","","","","","0.911","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110978","15.1342","0.0019","10.6675","0.0015","19.582","0.002","90","","101.9","0.01","90","","3093.5","0.7","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H29 Br N2 O4 -","- C36 H25 Br N2 O4 -","- C144 H100 Br4 N8 O16 -","4","2","","Ciby J. Abraham; Daniel H. Paull; Michael T. Scerba; James W. Grebinski; Thomas Lectka","Catalytic, Enantioselective Bifunctional Inverse Electron Demand Hetero-Diels-Alder Reactions of Ketene Enolates and o-Benzoquinone Diimides","Journal of the American Chemical Society","2006","128","","13370","13371","10.1021/ja065754d","","","0.71073","","","0.0858","0.048","","","0.1003","0.1069","","","","","","0.952","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110979","30.924","0.015","11.069","0.005","17.077","0.008","90","","116.153","0.013","90","","5247","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H68 Al2 N2 O6 -","- C61 H60 Al2 N2 O6 -","- C244 H240 Al8 N8 O24 -","4","0.5","","Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade","Facile Synthesis of Monomeric Alumatranes","Journal of the American Chemical Society","2006","128","","13727","13735","10.1021/ja0626786","","","0.71073","MoKα","","0.0955","0.072","","","0.2064","0.225","","","","","","1.058","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110980","9.3865","0.0016","17.609","0.003","16.824","0.003","90","","97.377","0.003","90","","2757.8","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H38 Al N O4 -","- C31 H38 Al N O4 -","- C124 H152 Al4 N4 O16 -","4","1","","Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade","Facile Synthesis of Monomeric Alumatranes","Journal of the American Chemical Society","2006","128","","13727","13735","10.1021/ja0626786","","","0.71073","MoKα","","0.0622","0.0462","","","0.1241","0.1389","","","","","","1.024","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110981","11.7638","0.0015","11.7638","0.0015","11.7638","0.0015","76.338","0.002","76.338","0.002","76.338","0.002","1508.8","0.3","183","2","183","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C34 H36 Al N O4 -","- C33.93 H30 Al N O4 -","- C67.86 H60 Al2 N2 O8 -","2","0.333333","","Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade","Facile Synthesis of Monomeric Alumatranes","Journal of the American Chemical Society","2006","128","","13727","13735","10.1021/ja0626786","","","0.71073","MoKα","","0.0659","0.0528","","","0.1396","0.1513","","","","","","1.056","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4110982","10.631","0.003","12.816","0.003","13.411","0.004","71.575","0.004","71.114","0.004","81.389","0.005","1637.9","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H38 Al N3 O3 -","- C35 H38 Al N3 O3 -","- C70 H76 Al2 N6 O6 -","2","1","","Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade","Facile Synthesis of Monomeric Alumatranes","Journal of the American Chemical Society","2006","128","","13727","13735","10.1021/ja0626786","","","0.71073","MoKα","","0.0827","0.0599","","","0.1629","0.1793","","","","","","1.032","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110983","13.024","0.006","18.322","0.008","20.516","0.01","90","","96.352","0.009","90","","4866","4","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H71 Al Cl2 N5 O4 P -","- C49 H71 Al Cl2 N5 O4 P -","- C196 H284 Al4 Cl8 N20 O16 P4 -","4","1","","Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade","Facile Synthesis of Monomeric Alumatranes","Journal of the American Chemical Society","2006","128","","13727","13735","10.1021/ja0626786","","","0.71073","MoKα","","0.0978","0.0727","","","0.1808","0.1999","","","","","","1.064","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110984","13.35","0.005","14.565","0.006","15.156","0.006","73.818","0.006","68.657","0.006","79.926","0.006","2627.2","1.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H72 Al2 N2 O8 -","- C61 H72 Al2 N2 O8 -","- C122 H144 Al4 N4 O16 -","2","1","","Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade","Facile Synthesis of Monomeric Alumatranes","Journal of the American Chemical Society","2006","128","","13727","13735","10.1021/ja0626786","","","0.71073","MoKα","","0.0899","0.0579","","","0.1401","0.1599","","","","","","1.04","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110985","18.433","0.007","19.237","0.007","22.352","0.009","104.229","0.007","106.203","0.007","104.718","0.007","6920","5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H134 Al6 N4 O22 -","- C108 H120 Al6 N4 O22 -","- C216 H240 Al12 N8 O44 -","2","1","","Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade","Facile Synthesis of Monomeric Alumatranes","Journal of the American Chemical Society","2006","128","","13727","13735","10.1021/ja0626786","","","0.71073","MoKα","","0.1649","0.1062","","","0.295","0.3467","","","","","","1.167","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110986","37.345","0.011","18.611","0.005","26.234","0.007","90","","134.62","0.01","90","","12978","7","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H134 Al6 N4 O22 -","- C108 H134 Al6 N4 O22 -","- C432 H536 Al24 N16 O88 -","4","0.5","","Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade","Facile Synthesis of Monomeric Alumatranes","Journal of the American Chemical Society","2006","128","","13727","13735","10.1021/ja0626786","","","0.71073","MoKα","","0.0929","0.071","","","0.2183","0.2489","","","","","","1.059","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110987","27.854","0.01","25.16","0.008","18.562","0.008","90","","90","","90","","13008","8","173","2","173","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C120 H160 Al6 Cl12 N4 O22 -","- C120 H160 Al6 Cl12 N4 O22 -","- C480 H640 Al24 Cl48 N16 O88 -","4","0.5","","Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade","Facile Synthesis of Monomeric Alumatranes","Journal of the American Chemical Society","2006","128","","13727","13735","10.1021/ja0626786","","","0.71073","MoKα","","0.0791","0.0692","","","0.1816","0.1898","","","","","","1.041","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4110988","13.6327","0.0018","10.4005","0.0013","26.417","0.003","90","","101.221","0.011","90","","3674","0.8","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 Cl2 N2 O5 Ru -","- C36 H46 Cl2 N2 O5 Ru -","- C144 H184 Cl8 N8 O20 Ru4 -","4","1","","Michał Bieniek; Robert Bujok; Maciej Cabaj; Noël Lugan; Guy Lavigne; Dieter Arlt; Karol Grela","Advanced Fine-Tuning of Grubbs/Hoveyda Olefin Metathesis Catalysts: A Further Step toward an Optimum Balance between Antinomic Properties","Journal of the American Chemical Society","2006","128","","13652","13653","10.1021/ja063186w","","x-ray","0.71073","MoKα","","0.155","0.0544","","","0.0806","0.1019","","","","","","0.82","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110989","7.537","0.001","15.69","0.002","12.4552","0.0016","90","","100.987","0.003","90","","1445.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O2 S2 -","- C17 H18 O2 S2 -","- C68 H72 O8 S8 -","4","1","","Kurt M. Knoblock; Catherine J. Silvestri; David M. Collard","Stacked Conjugated Oligomers as Molecular Models to Examine Interchain Interactions in Conjugated Materials","Journal of the American Chemical Society","2006","128","","13680","13681","10.1021/ja063312w","","","0.71073","MoKα","","0.0844","0.0638","","","0.132","0.1411","","","","","","1.034","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110990","7.1855","0.001","14.852","0.002","25.812","0.004","90","","90","","90","","2754.6","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Br3 N O5 -","- C30 H24 Br3 N O5 -","- C120 H96 Br12 N4 O20 -","4","1","","Weston R. Judd; Sooho Ban; Jeffrey Aubé","Remote Control of Diastereoselectivity in Intramolecular Reactions of Chiral Allylsilanes","Journal of the American Chemical Society","2006","128","","13736","13741","10.1021/ja063411+","","","0.71073","MoKα","","0.0375","0.0326","","","0.0749","0.0768","","","","","","1.016","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110991","11.283","0.002","6.6888","0.0012","13.937","0.002","90","","105.355","0.003","90","","1014.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 Br N2 O5 -","- C22 H21 Br N2 O5 -","- C44 H42 Br2 N4 O10 -","2","1","","Weston R. Judd; Sooho Ban; Jeffrey Aubé","Remote Control of Diastereoselectivity in Intramolecular Reactions of Chiral Allylsilanes","Journal of the American Chemical Society","2006","128","","13736","13741","10.1021/ja063411+","","","0.71073","MoKα","","0.0666","0.0488","","","0.1064","0.1129","","","","","","0.976","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110992","21.28","0.009","26.196","0.009","8.466","0.003","90","","100.593","0.012","90","","4639","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H26 Br N2 O5.5 -","- C25 H26 Br N2 O5.5 -","- C200 H208 Br8 N16 O44 -","8","2","","Weston R. Judd; Sooho Ban; Jeffrey Aubé","Remote Control of Diastereoselectivity in Intramolecular Reactions of Chiral Allylsilanes","Journal of the American Chemical Society","2006","128","","13736","13741","10.1021/ja063411+","","","0.71073","MoKα","","0.1231","0.1119","","","0.2853","0.2938","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110993","7.844","0.002","5.937","0.002","16.194","0.004","90","","94.188","0.006","90","","752.1","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N O3 -","- C16 H18 Br N O3 -","- C32 H36 Br2 N2 O6 -","2","1","","Weston R. Judd; Sooho Ban; Jeffrey Aubé","Remote Control of Diastereoselectivity in Intramolecular Reactions of Chiral Allylsilanes","Journal of the American Chemical Society","2006","128","","13736","13741","10.1021/ja063411+","","","0.71073","MoKα","","0.0471","0.0446","","","0.1231","0.1258","","","","","","1.03","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110994","10.973","0.002","10.973","0.002","5.23","0.0019","90","","90","","120","","545.4","0.2","150","2","150","2","","","","","","","","6","P 3","P 3","143","","","","- C12 H24 Ag Cl2 O8 S6 -","- C12 H24 Ag Cl2 O7.99 S6 -","- C12 H24 Ag Cl2 O7.99 S6 -","1","0.333333","","Jennifer L. Shaw; Joanna Wolowska; David Collison; Judith A. K. Howard; Eric J. L. McInnes; Jonathan McMaster; Alexander J. Blake; Claire Wilson; Martin Schröder","Redox Non-innocence of Thioether Macrocycles: Elucidation of the Electronic Structures of Mononuclear Complexes of Gold(II) and Silver(II)","Journal of the American Chemical Society","2006","128","","13827","13839","10.1021/ja0636439","","","0.71073","MoKα","","0.0764","0.0723","","","0.17","0.1734","","","","","","1.202","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110995","10.851","0.002","10.851","0.002","5.186","0.002","90","","90","","120","","528.8","0.2","30","2","30","2","","","","","","","","6","P 3","P 3","143","","","","- C12 H24 Ag Cl2 O8 S6 -","- C12 H24 Ag Cl2 O8 S6 -","- C12 H24 Ag Cl2 O8 S6 -","1","0.333333","","Jennifer L. Shaw; Joanna Wolowska; David Collison; Judith A. K. Howard; Eric J. L. McInnes; Jonathan McMaster; Alexander J. Blake; Claire Wilson; Martin Schröder","Redox Non-innocence of Thioether Macrocycles: Elucidation of the Electronic Structures of Mononuclear Complexes of Gold(II) and Silver(II)","Journal of the American Chemical Society","2006","128","","13827","13839","10.1021/ja0636439","","","0.71073","MoKα","","0.0566","0.0406","","","0.0868","0.0916","","","","","","0.948","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110996","8.3707","0.0005","10.4102","0.0006","11.8772","0.0007","104.867","0.001","96.525","0.001","106.203","0.001","941.28","0.1","100","2","373","2","","","","","","","","5","P -1","-P 1","2","Re(bpy-COOH)(CO)3CN","(4-methyl-2,2'-bipyridine-4'-carboxylic acid)(tricarbonyl)(cyano)rhenium(i)","","- C17 H14 N3 O6 Re -","- C17 H14 N3 O6 Re -","- C34 H28 N6 O12 Re2 -","2","1","","Steven Y. Reece; Mohammad R. Seyedsayamdost; JoAnne Stubbe; Daniel G. Nocera","Electron Transfer Reactions of Fluorotyrosyl Radicals","Journal of the American Chemical Society","2006","128","","13654","13655","10.1021/ja0636688","","","0.71073","MoKα","","0.0327","0.0297","","","0.0743","0.0759","","","","","","1.055","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110997","8.862","0.003","16.292","0.004","20.09","0.006","99.987","0.016","97.99","0.02","99.916","0.019","2771","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H62 La N15 O S7 -","- C39 H62 La N15 O S7 -","- C78 H124 La2 N30 O2 S14 -","2","1","","Peter Nockemann; Ben Thijs; Niels Postelmans; Kristof Van Hecke; Luc Van Meervelt; Koen Binnemans","Anionic Rare-Earth Thiocyanate Complexes as Building Blocks for Low-Melting Metal-Containing Ionic Liquids","Journal of the American Chemical Society","2006","128","","13658","13659","10.1021/ja0640391","","","1.54178","CuKα","","0.0757","0.0662","","","0.1729","0.1809","","","","","","1.013","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110998","14.895","0.003","14.726","0.003","12.133","0.002","90","","97.26","0.03","90","","2640","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H43 B N2 Ru2 -","- C28 H43 B N2 Ru2 -","- C112 H172 B4 N8 Ru8 -","4","0.5","","Jaclyn M. Murphy; Joshua D. Lawrence; Kazumori Kawamura; Christopher Incarvito; John F. Hartwig","Ruthenium-Catalyzed Regiospecific Borylation of Methyl C-H Bonds","Journal of the American Chemical Society","2006","128","","13684","13685","10.1021/ja064092p","","","0.71073","MoKα","","0.082","0.0426","","","0.0842","0.094","","","","","","0.999","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110999","9.9734","0.0003","24.3803","0.0007","16.6163","0.0004","90","","90","","90","","4040.33","0.19","173","2","173","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C19 H37 N2 P -","- C19 H37 N2 P -","- C152 H296 N16 P8 -","8","1","","Natalie E. Mansfield; Joanna Grundy; Martyn P. Coles; Anthony G. Avent; Peter B. Hitchcock","A Conformational Study of Phospha(III)- and Phospha(V)-guanidine Compounds","Journal of the American Chemical Society","2006","128","","13879","13893","10.1021/ja064212t","","x-ray","0.71073","MoKα","","0.0823","0.0557","","","0.1356","0.1534","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111000","14.3934","0.0002","9.6078","0.0002","17.3407","0.0003","90","","100.495","0.001","90","","2357.91","0.07","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","[Ph2P(S){C(Ncy)(NHcy)}]","","","- C25 H33 N2 P S -","- C25 H33 N2 P S -","- C100 H132 N8 P4 S4 -","4","1","","Natalie E. Mansfield; Joanna Grundy; Martyn P. Coles; Anthony G. Avent; Peter B. Hitchcock","A Conformational Study of Phospha(III)- and Phospha(V)-guanidine Compounds","Journal of the American Chemical Society","2006","128","","13879","13893","10.1021/ja064212t","","x-ray","0.71073","MoKα","","0.0435","0.0352","","","0.0823","0.0865","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111001","8.8687","0.0001","9.6892","0.0001","14.991","0.0002","82.172","0.001","82.934","0.001","69.345","0.001","1190.24","0.03","223","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","[SePPh2C(NHC6H11)(NC6H11)]","","","- C25 H33 N2 P Se -","- C25 H33 N2 P Se -","- C50 H66 N4 P2 Se2 -","2","1","","Natalie E. Mansfield; Joanna Grundy; Martyn P. Coles; Anthony G. Avent; Peter B. Hitchcock","A Conformational Study of Phospha(III)- and Phospha(V)-guanidine Compounds","Journal of the American Chemical Society","2006","128","","13879","13893","10.1021/ja064212t","","x-ray","0.71073","MoKα","","0.0298","0.0253","","","0.0564","0.0585","","","","","","1.04","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111002","8.9912","0.0003","10.01","0.0003","12.4892","0.0005","77.228","0.002","77.769","0.002","76.842","0.002","1051.9","0.06","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C19 H37 N2 P S -","- C19 H37 N2 P S -","- C38 H74 N4 P2 S2 -","2","1","","Natalie E. Mansfield; Joanna Grundy; Martyn P. Coles; Anthony G. Avent; Peter B. Hitchcock","A Conformational Study of Phospha(III)- and Phospha(V)-guanidine Compounds","Journal of the American Chemical Society","2006","128","","13879","13893","10.1021/ja064212t","","x-ray","0.71073","MoKα","","0.0502","0.0373","","","0.0829","0.0891","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111003","8.935","0.0003","10.0808","0.0003","12.5565","0.0004","77.397","0.002","78.02","0.002","77.321","0.002","1061.57","0.06","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C19 H37 N2 P Se -","- C19 H37 N2 P Se -","- C38 H74 N4 P2 Se2 -","2","1","","Natalie E. Mansfield; Joanna Grundy; Martyn P. Coles; Anthony G. Avent; Peter B. Hitchcock","A Conformational Study of Phospha(III)- and Phospha(V)-guanidine Compounds","Journal of the American Chemical Society","2006","128","","13879","13893","10.1021/ja064212t","","x-ray","0.71073","MoKα","","0.0357","0.0291","","","0.0646","0.067","","","","","","1.04","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111004","9.9173","0.0002","10.1444","0.0003","14.1035","0.0004","105.398","0.001","97.112","0.001","104.885","0.001","1293.67","0.06","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C25 H45 N2 P Se -","- C25 H45 N2 P Se -","- C50 H90 N4 P2 Se2 -","2","1","","Natalie E. Mansfield; Joanna Grundy; Martyn P. Coles; Anthony G. Avent; Peter B. Hitchcock","A Conformational Study of Phospha(III)- and Phospha(V)-guanidine Compounds","Journal of the American Chemical Society","2006","128","","13879","13893","10.1021/ja064212t","","x-ray","0.71073","MoKα","","0.0386","0.0302","","","0.0705","0.0747","","","","","","0.944","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111005","9.1464","0.0004","15.3363","0.0004","17.7735","0.0007","90","","104.714","0.002","90","","2411.36","0.16","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 B N2 P -","- C25 H36 B N2 P -","- C100 H144 B4 N8 P4 -","4","1","","Natalie E. Mansfield; Joanna Grundy; Martyn P. Coles; Anthony G. Avent; Peter B. Hitchcock","A Conformational Study of Phospha(III)- and Phospha(V)-guanidine Compounds","Journal of the American Chemical Society","2006","128","","13879","13893","10.1021/ja064212t","","x-ray","0.71073","MoKα","","0.0679","0.0452","","","0.0939","0.1043","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111006","7.536","0.005","9.322","0.005","13.574","0.006","90","","90.09","0.02","90","","953.6","0.9","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C42 H50 N2 O8 S2 -","2","1","","Kyoji Tsuchikama; Yusuke Kuwata; Takanori Shibata","Highly Enantioselective Construction of a Chiral Spirocyclic Structure by the [2 + 2 + 2] Cycloaddition of Diynes andexo-Methylene Cyclic Compounds","Journal of the American Chemical Society","2006","128","","13686","13687","10.1021/ja064257u","","","0.71075","MoKα","","","0.0448","","","","0.1239","","","","","","0.966","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111007","8.556","0.0007","8.8969","0.0008","22.528","0.002","86.487","0.003","84.879","0.003","69.785","0.003","1602","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H43 Fe N3 O2 -","- C35 H43 Fe N3 O2 -","- C70 H86 Fe2 N6 O4 -","2","1","","Suzanne C. Bart; Krzysztof Chłopek; Eckhard Bill; Marco W. Bouwkamp; Emil Lobkovsky; Frank Neese; Karl Wieghardt; Paul J. Chirik","Electronic Structure of Bis(imino)pyridine Iron Dichloride, Monochloride, and Neutral Ligand Complexes: A Combined Structural, Spectroscopic, and Computational Study","Journal of the American Chemical Society","2006","128","","13901","13912","10.1021/ja064557b","","","0.71073","MoKα","","0.0524","0.0373","","","0.0867","0.0917","","","","","","1.037","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111008","11.7778","0.0009","17.6175","0.0014","17.5886","0.0014","90","","94.791","0.003","90","","3636.8","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H53 Fe N5 -","- C40 H53 Fe N5 -","- C160 H212 Fe4 N20 -","4","1","","Suzanne C. Bart; Krzysztof Chłopek; Eckhard Bill; Marco W. Bouwkamp; Emil Lobkovsky; Frank Neese; Karl Wieghardt; Paul J. Chirik","Electronic Structure of Bis(imino)pyridine Iron Dichloride, Monochloride, and Neutral Ligand Complexes: A Combined Structural, Spectroscopic, and Computational Study","Journal of the American Chemical Society","2006","128","","13901","13912","10.1021/ja064557b","","","0.71073","MoKα","","0.0783","0.0408","","","0.0866","0.0986","","","","","","1.013","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111009","21.5222","0.0011","22.0572","0.0011","12.4107","0.0006","90","","98.151","0.001","90","","5832.1","0.5","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 F6 N2 O6 Os P2 S2 Si2 -","- C60 H60 F6 N2 O6 Os P2 S2 Si2 -","- C240 H240 F24 N8 O24 Os4 P8 S8 Si8 -","4","1","","Wai Yiu Hung; Jun Zhu; Ting Bin Wen; Ka Po Yu; Herman H. Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Osmabenzenes from the Reactions of a Dicationic Osmabenzyne Complex","Journal of the American Chemical Society","2006","128","","13742","13752","10.1021/ja064570w","","","0.71073","MoKα","","0.0514","0.0378","","","0.0751","0.0787","","","","","","1.005","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111010","16.294","0.003","20.435","0.004","18.652","0.004","90","","109.188","0.004","90","","5865","2","173","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C62 H61 F3 N2 O5 Os P2 S Si -","- C62 H59 F3 N2 O5 Os P2 S Si -","- C248 H236 F12 N8 O20 Os4 P8 S4 Si4 -","4","1","","Wai Yiu Hung; Jun Zhu; Ting Bin Wen; Ka Po Yu; Herman H. Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Osmabenzenes from the Reactions of a Dicationic Osmabenzyne Complex","Journal of the American Chemical Society","2006","128","","13742","13752","10.1021/ja064570w","","","0.71073","MoKα","","0.0534","0.0415","","","0.1179","0.1231","","","","","","1.072","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111011","13.7519","0.0007","19.6084","0.0011","19.1742","0.0011","90","","97.364","0.001","90","","5127.7","0.5","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C57 H55 F3 N2 O4 Os P2 S Si -","- C57 H55 F3 N2 O4 Os P2 S Si -","- C228 H220 F12 N8 O16 Os4 P8 S4 Si4 -","4","1","","Wai Yiu Hung; Jun Zhu; Ting Bin Wen; Ka Po Yu; Herman H. Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Osmabenzenes from the Reactions of a Dicationic Osmabenzyne Complex","Journal of the American Chemical Society","2006","128","","13742","13752","10.1021/ja064570w","","","0.71073","MoKα","","0.0695","0.0427","","","0.0786","0.0845","","","","","","0.949","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111012","13.857","0.003","19.181","0.004","19.294","0.004","90","","97.087","0.003","90","","5089","1.9","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C56 H55 F3 N2 O5 Os P2 S Si -","- C56 H55 F3 N2 O5 Os P2 S Si -","- C224 H220 F12 N8 O20 Os4 P8 S4 Si4 -","4","1","","Wai Yiu Hung; Jun Zhu; Ting Bin Wen; Ka Po Yu; Herman H. Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Osmabenzenes from the Reactions of a Dicationic Osmabenzyne Complex","Journal of the American Chemical Society","2006","128","","13742","13752","10.1021/ja064570w","","","0.71073","MoKα","","0.1082","0.0564","","","0.1218","0.1322","","","","","","0.993","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111013","10.7215","0.0011","11.4672","0.0011","20.273","0.002","104.072","0.002","101.455","0.002","95.036","0.002","2345.1","0.4","298","2","298","2","","","","","","","","10","P -1","-P 1","2","","","","- C42 H48 Cl2 F3 N2 O3 Os P S Si2 -","- C42 H48 Cl2 F3 N2 O3 Os P S Si2 -","- C84 H96 Cl4 F6 N4 O6 Os2 P2 S2 Si4 -","2","1","","Wai Yiu Hung; Jun Zhu; Ting Bin Wen; Ka Po Yu; Herman H. Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Osmabenzenes from the Reactions of a Dicationic Osmabenzyne Complex","Journal of the American Chemical Society","2006","128","","13742","13752","10.1021/ja064570w","","","0.71073","MoKα","","0.0756","0.0448","","","0.0678","0.0726","","","","","","0.993","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111014","11.996","0.0001","27.713","0.0002","14.46","0.0001","90","","114.462","0.001","90","","4375.65","0.07","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 Cl4 N2 O P2 Ru -","- C46 H46 Cl4 N2 O P2 Ru -","- C184 H184 Cl16 N8 O4 P8 Ru4 -","4","1","","Suzanne Burling; Mary F. Mahon; Rachael E. Powell; Michael K. Whittlesey; Jonathan M. J. Williams","Ruthenium Induced C-N Bond Activation of an N-Heterocyclic Carbene: Isolation of C- and N-Bound Tautomers","Journal of the American Chemical Society","2006","128","","13702","13703","10.1021/ja065582k","","","0.71073","MoKα","","0.0681","0.0434","","","0.0855","0.094","","","","","","1.022","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111015","10.429","0.0001","12.625","0.0001","17.859","0.0002","107.683","0.001","95.349","0.001","99.035","0.001","2187.57","0.04","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H46 Cl4 N2 O P2 Ru -","- C46 H46 Cl4 N2 O P2 Ru -","- C92 H92 Cl8 N4 O2 P4 Ru2 -","2","1","","Suzanne Burling; Mary F. Mahon; Rachael E. Powell; Michael K. Whittlesey; Jonathan M. J. Williams","Ruthenium Induced C-N Bond Activation of an N-Heterocyclic Carbene: Isolation of C- and N-Bound Tautomers","Journal of the American Chemical Society","2006","128","","13702","13703","10.1021/ja065582k","","","0.71073","MoKα","","0.0494","0.0347","","","0.0771","0.0831","","","","","","1.037","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111016","11.4873","0.0009","12.2811","0.001","17.4297","0.0014","96.894","0.001","91.521","0.001","111.854","0.001","2258.9","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","cis-Pd2(C6H4PPh2)(O2CCF3)2Cl2, 2CH2Cl2","","","- C42 H32 Cl6 F6 O4 P2 Pd2 -","- C42 H32 Cl6 F6 O4 P2 Pd2 -","- C84 H64 Cl12 F12 O8 P4 Pd4 -","2","1","","F. Albert Cotton; Igor O. Koshevoy; Pascual Lahuerta; Carlos A. Murillo; Mercedes Sanaú; M. Angeles Ubeda; Qinliang Zhao","High Yield Syntheses of Stable, Singly Bonded Pd26+ Compounds","Journal of the American Chemical Society","2006","128","","13674","13675","10.1021/ja0656595","","","0.71073","MoKα","","0.0555","0.0395","","","0.0785","0.0832","","","","","","1.041","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111017","11.711","0.0003","17.195","0.0004","21.146","0.0007","90","","90","","90","","4258.2","0.2","293","2","293","2","","","","","","","","6","P b n a","-P 2ac 2b","60","cis-Pd2(C6H4PPh2)(O2CCMe3)2Cl2","","","- C46 H46 Cl2 O4 P2 Pd2 -","- C46 H46 Cl2 O4 P2 Pd2 -","- C184 H184 Cl8 O16 P8 Pd8 -","4","0.5","","F. Albert Cotton; Igor O. Koshevoy; Pascual Lahuerta; Carlos A. Murillo; Mercedes Sanaú; M. Angeles Ubeda; Qinliang Zhao","High Yield Syntheses of Stable, Singly Bonded Pd26+ Compounds","Journal of the American Chemical Society","2006","128","","13674","13675","10.1021/ja0656595","","","0.71073","MoKα","","0.1017","0.044","","","0.085","0.1078","","","","","","1.084","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111018","15.261","0.0015","15.4146","0.0015","21.044","0.002","76.544","0.002","73.541","0.002","76.415","0.002","4540.9","0.8","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H49 O4 Os P Pt Sn -","- C42 H49 O4 Os P Pt Sn -","- C168 H196 O16 Os4 P4 Pt4 Sn4 -","4","2","","Richard D. Adams; Burjor Captain; Lei Zhu","Platinum Promoted Insertion of an Alkyne into a Metal-Hydrogen Bond","Journal of the American Chemical Society","2006","128","","13672","13673","10.1021/ja0657152","","","0.71073","MoKα","","0.0624","0.0405","","","0.123","0.1444","","","","","","1.051","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111019","15.3785","0.0008","12.0732","0.0006","20.6568","0.001","90","","108.841","0.001","90","","3629.8","0.3","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H43 O4 Os P Pt Sn -","- C34 H43 O4 Os P Pt Sn -","- C136 H172 O16 Os4 P4 Pt4 Sn4 -","4","1","","Richard D. Adams; Burjor Captain; Lei Zhu","Platinum Promoted Insertion of an Alkyne into a Metal-Hydrogen Bond","Journal of the American Chemical Society","2006","128","","13672","13673","10.1021/ja0657152","","","0.71073","MoKα","","0.0539","0.0376","","","0.0961","0.1087","","","","","","1.031","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111020","10.3198","0.0004","12.1676","0.0005","18.4225","0.0008","78.148","0.001","78.187","0.001","65.989","0.001","2048.97","0.15","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H49 O4 Os P Pt Sn -","- C42 H49 O4 Os P Pt Sn -","- C84 H98 O8 Os2 P2 Pt2 Sn2 -","2","1","","Richard D. Adams; Burjor Captain; Lei Zhu","Platinum Promoted Insertion of an Alkyne into a Metal-Hydrogen Bond","Journal of the American Chemical Society","2006","128","","13672","13673","10.1021/ja0657152","","","0.71073","MoKα","","0.0351","0.027","","","0.0628","0.0694","","","","","","1.031","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111021","7.675","0.004","12.605","0.007","12.914","0.008","86.49","0.02","81.01","0.02","83.69","0.03","1225.3","1.2","110","","110","","","","","","","","local laboratory","3","P -1","-P 1","2","","","","- C31 H28 O5 -","- C31 H28 O5 -","- C62 H56 O10 -","2","1","","Youjun Yang; Mark Lowry; Corin M. Schowalter; Sayo O. Fakayode; Jorge O. Escobedo; Xiangyang Xu; Huating Zhang; Timothy J. Jensen; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","An Organic White Light-Emitting Fluorophore","Journal of the American Chemical Society","2006","128","","14081","14092","10.1021/ja0632207","","","0.71073","MoKα","","0.19","0.062","","","0.107","0.141","","","","","","0.95","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111022","9.743","0.002","16.188","0.003","15.137","0.003","90","","90","","90","","2387.4","0.8","110","","110","","","","","","","","local laboratory","3","P c a 21","P 2c -2ac","29","","","","- C31 H28 O5 -","- C31 H28 O5 -","- C124 H112 O20 -","4","1","","Youjun Yang; Mark Lowry; Corin M. Schowalter; Sayo O. Fakayode; Jorge O. Escobedo; Xiangyang Xu; Huating Zhang; Timothy J. Jensen; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","An Organic White Light-Emitting Fluorophore","Journal of the American Chemical Society","2006","128","","14081","14092","10.1021/ja0632207","","","0.71073","MoKα","","0.054","0.038","","","0.082","0.088","","","","","","1.037","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111023","7.859","0.006","11.146","0.007","14.964","0.015","81.92","0.03","85.92","0.03","72.84","0.05","1239.4","1.8","110","","110","","","","","","","","local laboratory","3","P -1","-P 1","2","","","","- C32 H26 O6 -","- C32 H26 O6 -","- C64 H52 O12 -","2","1","","Youjun Yang; Mark Lowry; Corin M. Schowalter; Sayo O. Fakayode; Jorge O. Escobedo; Xiangyang Xu; Huating Zhang; Timothy J. Jensen; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","An Organic White Light-Emitting Fluorophore","Journal of the American Chemical Society","2006","128","","14081","14092","10.1021/ja0632207","","","0.71073","MoKα","","0.36","0.12","","","0.265","0.377","","","","","","0.951","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111024","8.6597","0.0015","11.155","0.002","11.818","0.003","100.03","0.01","99.201","0.013","97.783","0.013","1093.9","0.4","110","","110","","","","","","","","local laboratory","3","P -1","-P 1","2","","","","- C27 H26 O5 -","- C27 H26 O5 -","- C54 H52 O10 -","2","1","","Youjun Yang; Mark Lowry; Corin M. Schowalter; Sayo O. Fakayode; Jorge O. Escobedo; Xiangyang Xu; Huating Zhang; Timothy J. Jensen; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","An Organic White Light-Emitting Fluorophore","Journal of the American Chemical Society","2006","128","","14081","14092","10.1021/ja0632207","","","0.71073","MoKα","","0.096","0.049","","","0.108","0.123","","","","","","1.045","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111025","11.822","0.005","14.537","0.009","15.298","0.011","64.48","0.02","69.89","0.03","88.38","0.03","2206","2","110","","110","","","","","","","","local laboratory","3","P -1","-P 1","2","","","","- C27 H26 O5 -","- C27 H26 O5 -","- C108 H104 O20 -","4","2","","Youjun Yang; Mark Lowry; Corin M. Schowalter; Sayo O. Fakayode; Jorge O. Escobedo; Xiangyang Xu; Huating Zhang; Timothy J. Jensen; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","An Organic White Light-Emitting Fluorophore","Journal of the American Chemical Society","2006","128","","14081","14092","10.1021/ja0632207","","","0.71073","MoKα","","0.179","0.094","","","0.225","0.273","","","","","","1.03","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111026","9.504","0.002","10.972","0.003","11.785","0.004","66.744","0.017","90.325","0.016","71.375","0.018","1057.6","0.6","110","","110","","","","","","","","local laboratory","3","P -1","-P 1","2","","","","- C26 H24 O5 -","- C26 H24 O5 -","- C52 H48 O10 -","2","1","","Youjun Yang; Mark Lowry; Corin M. Schowalter; Sayo O. Fakayode; Jorge O. Escobedo; Xiangyang Xu; Huating Zhang; Timothy J. Jensen; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","An Organic White Light-Emitting Fluorophore","Journal of the American Chemical Society","2006","128","","14081","14092","10.1021/ja0632207","","","0.71073","MoKα","","0.143","0.062","","","0.108","0.133","","","","","","1.027","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111027","14.395","0.003","8.6291","0.0015","23.881","0.005","90","","102.115","0.007","90","","2900.3","1","110","","110","","","","","","","","Local laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 O6 -","- C34 H32 O6 -","- C136 H128 O24 -","4","1","","Youjun Yang; Mark Lowry; Corin M. Schowalter; Sayo O. Fakayode; Jorge O. Escobedo; Xiangyang Xu; Huating Zhang; Timothy J. Jensen; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","An Organic White Light-Emitting Fluorophore","Journal of the American Chemical Society","2006","128","","14081","14092","10.1021/ja0632207","","","0.71073","MoKα","","0.093","0.063","","","0.133","0.145","","","","","","1.104","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111028","10.946","0.0008","18.944","0.008","8.041","0.015","90","","105.58","0.04","90","","1606","3","110","","110","","","","","","","","local laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H14 O3 -","- C23 H14 O3 -","- C92 H56 O12 -","4","1","","Youjun Yang; Mark Lowry; Corin M. Schowalter; Sayo O. Fakayode; Jorge O. Escobedo; Xiangyang Xu; Huating Zhang; Timothy J. Jensen; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","An Organic White Light-Emitting Fluorophore","Journal of the American Chemical Society","2006","128","","14081","14092","10.1021/ja0632207","","","0.71073","MoKα","","0.271","0.083","","","0.133","0.185","","","","","","0.96","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111029","15.3431","0.0009","16.0318","0.0009","21.0821","0.0012","69.889","0.001","85.777","0.001","89.956","0.001","4854.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H88.1 Cl2 N26 O30.05 -","- C42 H72.7547 Cl2 N26 O30.0447 -","- C126 H218.264 Cl6 N78 O90.134 -","3","1.5","","Pritam Mukhopadhyay; Peter Y. Zavalij; Lyle Isaacs","High Fidelity Kinetic Self-Sorting in Multi-Component Systems Based on Guests with Multiple Binding Epitopes","Journal of the American Chemical Society","2006","128","","14093","14102","10.1021/ja063390j","","","0.71073","MoKα","","0.0654","0.0484","","","0.0975","0.1074","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111030","28.268","0.0006","35.3567","0.001","10.8372","0.0002","90","","90","","90","","10831.4","0.4","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C52 H80 Cl2 Mo2 N4 Si2 -","- C52 H80 Cl2 Mo2 N4 Si2 -","- C416 H640 Cl16 Mo16 N32 Si16 -","8","0.5","","Yi-Chou Tsai; Yang-Miin Lin; Jen-Shiang K. Yu; Jenn-Kang Hwang","A Three-Coordinate and Quadruply Bonded Mo-Mo Complex","Journal of the American Chemical Society","2006","128","","13980","13981","10.1021/ja0635884","","","0.71073","MoKα","","0.0511","0.04","","","0.0899","0.0956","","","","","","1.059","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111031","12.237","0.0002","18.608","0.0004","12.81","0.0003","90","","115.073","0.001","90","","2642.05","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H80 Mo2 N4 Si2 -","- C52 H80 Mo2 N4 Si2 -","- C104 H160 Mo4 N8 Si4 -","2","0.5","","Yi-Chou Tsai; Yang-Miin Lin; Jen-Shiang K. Yu; Jenn-Kang Hwang","A Three-Coordinate and Quadruply Bonded Mo-Mo Complex","Journal of the American Chemical Society","2006","128","","13980","13981","10.1021/ja0635884","","","0.71073","MoKα","","0.0777","0.0701","","","0.1603","0.1654","","","","","","1.224","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111032","11.7432","0.0002","11.5531","0.0004","22.8714","0.0009","90","","90","","90","","3102.97","0.17","150","1","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H24 Br N P2 Si -","- C8 H24 Br N P2 Si -","- C64 H192 Br8 N8 P16 Si8 -","8","1","","Keith Huynh; Alan J. Lough; Ian Manners","Reactions of P-Donor Ligands with N-Silyl(halogeno)organophosphoranimines: Formation of Cations with P-P Coordination Bonds and Poly(alkyl/aryl)phosphazenes at Ambient Temperature","Journal of the American Chemical Society","2006","128","","14002","14003","10.1021/ja063979i","","","0.71073","MoKα","","0.0704","0.0395","","","0.0859","0.0983","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111033","11.7699","0.0001","17.4973","0.0002","16.1714","0.0001","90","","108.201","0.001","90","","3163.73","0.05","150","2","150","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C81 H72 O6 -","- C81 H72 O6 -","- C162 H144 O12 -","2","1","","Jye-Shane Yang; Jyu-Lun Yan; Chung-Yu Hwang; Shih-Yi Chiou; Kang-Ling Liau; Hui-Hsu Gavin Tsai; Gene-Hsiang Lee; Shie-Ming Peng","Probing the Intrachain and Interchain Effects on the Fluorescence Behavior of Pentiptycene-Derived Oligo(p-phenyleneethynylene)s","Journal of the American Chemical Society","2006","128","","14109","14119","10.1021/ja0640389","","","0.71073","MoKα","","0.1244","0.0973","","","0.2443","0.2673","","","","","","1.041","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111034","10.9408","0.0008","11.0503","0.0008","11.3483","0.0008","104.682","0.002","94.383","0.002","109.87","0.002","1228.1","0.16","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C66 H62 O2 -","- C66 H62 O2 -","- C66 H62 O2 -","1","0.5","","Jye-Shane Yang; Jyu-Lun Yan; Chung-Yu Hwang; Shih-Yi Chiou; Kang-Ling Liau; Hui-Hsu Gavin Tsai; Gene-Hsiang Lee; Shie-Ming Peng","Probing the Intrachain and Interchain Effects on the Fluorescence Behavior of Pentiptycene-Derived Oligo(p-phenyleneethynylene)s","Journal of the American Chemical Society","2006","128","","14109","14119","10.1021/ja0640389","","","0.71073","MoKα","","0.1201","0.0539","","","0.0966","0.1092","","","","","","1.001","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111035","17.444","0.003","16.079","0.003","20.064","0.004","90","","90","","90","","5627.6","1.8","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H78 La2 N4 O2 -","- C64 H78 La2 N4 O2 -","- C256 H312 La8 N16 O8 -","4","0.5","","William J. Evans; David S. Lee; Joseph W. Ziller; Nikolas Kaltsoyannis","Trivalent [(C5Me5)2(THF)Ln]2(μ-η2:η2-N2) Complexes as Reducing Agents Including the Reductive Homologation of CO to a Ketene Carboxylate, (μ-η4-O2CCCO)2-","Journal of the American Chemical Society","2006","128","","14176","14184","10.1021/ja0640851","","","0.71073","MoKα","","0.0337","0.0201","","","0.042","0.05","","","","","","1.089","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111036","14.234","0.006","14.365","0.006","15.917","0.007","91.539","0.007","114.067","0.007","109.738","0.007","2745","2","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C118 H160 La4 O8 -","- C118 H160 La4 O8 -","- C118 H160 La4 O8 -","1","0.5","","William J. Evans; David S. Lee; Joseph W. Ziller; Nikolas Kaltsoyannis","Trivalent [(C5Me5)2(THF)Ln]2(μ-η2:η2-N2) Complexes as Reducing Agents Including the Reductive Homologation of CO to a Ketene Carboxylate, (μ-η4-O2CCCO)2-","Journal of the American Chemical Society","2006","128","","14176","14184","10.1021/ja0640851","","","0.71073","MoKα","","0.0877","0.055","","","0.1374","0.1591","","","","","","1.067","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111037","10.7705","0.0006","8.6569","0.0005","11.6622","0.0007","90","","110.724","0.001","90","","1017.02","0.1","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 N O5 -","- C20 H28 N O5 -","- C40 H56 N2 O10 -","2","1","","Fanglong Yang; Jeffery J. Newsome; Dennis P. Curran","Structure Assignment of Lagunapyrone B by Fluorous Mixture Synthesis of Four Candidate Stereoisomers","Journal of the American Chemical Society","2006","128","","14200","14205","10.1021/ja064812s","","","0.71073","MoKα","","0.1055","0.0594","","","0.1331","0.1504","","","","","","0.941","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111038","11.965","0.008","9.611","0.007","12.864","0.01","90","","94.55","0.07","90","","1474.6","1.9","90","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl2 Cu N3 O -","- C14 H16 Cl2 Cu N3 O -","- C56 H64 Cl8 Cu4 N12 O4 -","4","1","","Keita Osanai; Atsushi Okazawa; Takashi Nogami; Takayuki Ishida","Strong Ferromagnetic Exchange Couplings in Copper(II) and Nickel(II) Complexes with a Paramagnetic Tridentate Chelate Ligand, 2,2'-Bipyridin-6-yl tert-Butyl Nitroxide","Journal of the American Chemical Society","2006","128","","14008","14009","10.1021/ja065623c","","","0.71069","MoKα","","","0.0295","","","","0.037","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111039","25.214","0.006","13.624","0.004","40.469","0.009","90","","90","","90","","13902","6","90","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H32 F12 N6 Ni O2 P2 -","- C28 H32 F12 N6 Ni O2 P2 -","- C448 H512 F192 N96 Ni16 O32 P32 -","16","2","","Keita Osanai; Atsushi Okazawa; Takashi Nogami; Takayuki Ishida","Strong Ferromagnetic Exchange Couplings in Copper(II) and Nickel(II) Complexes with a Paramagnetic Tridentate Chelate Ligand, 2,2'-Bipyridin-6-yl tert-Butyl Nitroxide","Journal of the American Chemical Society","2006","128","","14008","14009","10.1021/ja065623c","","","1.54178","CuKα","","","0.0569","","","","0.0562","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111040","18.7833","0.0012","18.7833","0.0012","25.861","0.003","90","","90","","90","","9124.1","1.3","173","2","173","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C83 H86 F3 O11 P4 S U -","- C83 H86 F3 O11 P4 S U -","- C332 H344 F12 O44 P16 S4 U4 -","4","0.25","","Shanmugaperumal Kannan; Anthony E. Vaughn; Eric M. Weis; Charles L. Barnes; Paul B. Duval","Anhydrous Photochemical Uranyl(VI) Reduction: Unprecedented Retention of Equatorial Coordination Accompanying Reversible Axial Oxo/Alkoxide Exchange","Journal of the American Chemical Society","2006","128","","14024","14025","10.1021/ja065822w","","","0.71073","MoKα","","0.0648","0.042","","","0.1228","0.131","","","","","","1.086","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111041","7.8718","0.0016","9.2112","0.0018","14.826","0.003","102.68","0.03","90.82","0.03","96.9","0.03","1040.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Br N4 O3 -","- C22 H20 Br N4 O3 -","- C44 H40 Br2 N8 O6 -","2","1","","Phil S. Baran; Ryan A. Shenvi","Total Synthesis of (\±)-Chartelline C","Journal of the American Chemical Society","2006","128","","14028","14029","10.1021/ja0659673","","","0.71073","MoKα","","0.1429","0.0598","","","0.1337","0.1688","","","","","","0.934","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111042","13.053","0.003","13.308","0.003","14.847","0.003","110.99","0.03","106.14","0.03","93.41","0.03","2276.3","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 Br N4 O4 -","- C23 H22.5 Br N4.5 O4 -","- C92 H90 Br4 N18 O16 -","4","2","","Phil S. Baran; Ryan A. Shenvi","Total Synthesis of (\±)-Chartelline C","Journal of the American Chemical Society","2006","128","","14028","14029","10.1021/ja0659673","","","0.71073","MoKα","","0.1562","0.0595","","","0.1138","0.148","","","","","","0.937","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111043","23.62","0.005","21.153","0.004","10.113","0.002","90","","97.54","0.03","90","","5009.1","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H17.5 Br2 Cl N4 O1.25 -","- C21 H17.5 Br2 Cl N4 O1.25 -","- C168 H140 Br16 Cl8 N32 O10 -","8","1","","Phil S. Baran; Ryan A. Shenvi","Total Synthesis of (\±)-Chartelline C","Journal of the American Chemical Society","2006","128","","14028","14029","10.1021/ja0659673","","","0.71073","MoKα","","0.0732","0.0579","","","0.1817","0.1974","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111044","9.5296","0.0016","12.337","0.003","20.531","0.004","103.38","0.007","103.203","0.006","97.163","0.006","2245.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Ph(Me3SiO)C=NMo(N[t-Bu](3,5-C6H3Me2)","","","- C46 H68 Mo N4 O Si -","- C46 H68 Mo N4 O Si -","- C92 H136 Mo2 N8 O2 Si2 -","2","1","","John J. Curley; Emma L. Sceats; Christopher C. Cummins","A Cycle for Organic Nitrile Synthesis via Dinitrogen Cleavage","Journal of the American Chemical Society","2006","128","","14036","14037","10.1021/ja066090a","","","0.71073","MoKα","","0.0415","0.0355","","","0.0849","0.0877","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111045","9.5415","0.0018","13.767","0.002","14.084","0.004","88.852","0.018","72.68","0.02","72.912","0.015","1683.6","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 O5 Si -","- C36 H46 O5 Si -","- C72 H92 O10 Si2 -","2","1","","Igor Larrosa; Marianne I. Da Silva; Patricio M. Gómez; Peter Hannen; Eunjung Ko; Steven R. Lenger; Simon R. Linke; Andrew J. P. White; Donna Wilton; Anthony G. M. Barrett","Highly Convergent Three Component Benzyne Coupling: The Total Synthesis of ent-Clavilactone B","Journal of the American Chemical Society","2006","128","","14042","14043","10.1021/ja0662671","","","1.54248","CuKα","","0.0462","0.0451","","","0.1131","0.1138","","","","","","1.138","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111046","10.976","0.002","11.368","0.002","11.4464","0.0018","90.079","0.014","116.397","0.017","101.338","0.015","1247.9","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H31 N O8 -","- C27 H31 N O8 -","- C54 H62 N2 O16 -","2","1","","Igor Larrosa; Marianne I. Da Silva; Patricio M. Gómez; Peter Hannen; Eunjung Ko; Steven R. Lenger; Simon R. Linke; Andrew J. P. White; Donna Wilton; Anthony G. M. Barrett","Highly Convergent Three Component Benzyne Coupling: The Total Synthesis of ent-Clavilactone B","Journal of the American Chemical Society","2006","128","","14042","14043","10.1021/ja0662671","","","0.71073","MoKα","","0.0579","0.0416","","","0.1122","0.1177","","","","","","1.083","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111047","17.136","0.005","7.522","0.002","18.116","0.006","90","","90","","90","","2335.1","1.2","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H14 N2 O7 P2 -","- C7 H14 N2 O7 P2 -","- C56 H112 N16 O56 P16 -","8","1","","Junhong Mao; Sujoy Mukherjee; Yong Zhang; Rong Cao; John M. Sanders; Yongcheng Song; Yonghui Zhang; Gary A. Meints; Yi Gui Gao; Dushyant Mukkamala; Michael P. Hudock; Eric Oldfield","Solid-State NMR, Crystallographic, and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes","Journal of the American Chemical Society","2006","128","","14485","14497","10.1021/ja061737c","","","0.71073","MoKα","","0.0815","0.0479","","","0.1077","0.1175","","","","","","0.998","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111048","8.6608","0.0018","14.173","0.003","15.231","0.003","90","","102.704","0.003","90","","1823.8","0.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H23 N3 O11 P2 -","- C10 H23 N3 O11 P2 -","- C40 H92 N12 O44 P8 -","4","1","","Junhong Mao; Sujoy Mukherjee; Yong Zhang; Rong Cao; John M. Sanders; Yongcheng Song; Yonghui Zhang; Gary A. Meints; Yi Gui Gao; Dushyant Mukkamala; Michael P. Hudock; Eric Oldfield","Solid-State NMR, Crystallographic, and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes","Journal of the American Chemical Society","2006","128","","14485","14497","10.1021/ja061737c","","","0.71073","MoKα","","0.0581","0.0378","","","0.0878","0.0951","","","","","","1.045","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111049","7.208","0.006","8.465","0.006","8.911","0.007","109.7","0.012","106.731","0.012","97.664","0.013","473.9","0.6","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H9 N O6 P2 S -","- C5 H9 N O6 P2 S -","- C10 H18 N2 O12 P4 S2 -","2","1","","Junhong Mao; Sujoy Mukherjee; Yong Zhang; Rong Cao; John M. Sanders; Yongcheng Song; Yonghui Zhang; Gary A. Meints; Yi Gui Gao; Dushyant Mukkamala; Michael P. Hudock; Eric Oldfield","Solid-State NMR, Crystallographic, and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes","Journal of the American Chemical Society","2006","128","","14485","14497","10.1021/ja061737c","","","0.71073","MoKα","","0.0368","0.0298","","","0.0786","0.0824","","","","","","1.048","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111050","6.834","0.01","9.597","0.014","10.538","0.015","114.94","0.02","94.45","0.02","98","0.02","613.4","1.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H16 N2 O10 P2 -","- C5 H16 N2 O10 P2 -","- C10 H32 N4 O20 P4 -","2","1","","Junhong Mao; Sujoy Mukherjee; Yong Zhang; Rong Cao; John M. Sanders; Yongcheng Song; Yonghui Zhang; Gary A. Meints; Yi Gui Gao; Dushyant Mukkamala; Michael P. Hudock; Eric Oldfield","Solid-State NMR, Crystallographic, and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes","Journal of the American Chemical Society","2006","128","","14485","14497","10.1021/ja061737c","","","0.71073","MoKα","","0.0397","0.0331","","","0.0916","0.109","","","","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111051","7.325","0.002","7.766","0.003","8.972","0.003","68.24","0.005","85.371","0.005","82.608","0.005","469.8","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H7 N O6 P2 S2 -","- C4 H7 N O6 P2 S2 -","- C8 H14 N2 O12 P4 S4 -","2","1","","Junhong Mao; Sujoy Mukherjee; Yong Zhang; Rong Cao; John M. Sanders; Yongcheng Song; Yonghui Zhang; Gary A. Meints; Yi Gui Gao; Dushyant Mukkamala; Michael P. Hudock; Eric Oldfield","Solid-State NMR, Crystallographic, and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes","Journal of the American Chemical Society","2006","128","","14485","14497","10.1021/ja061737c","","","0.71073","MoKα","","0.039","0.0312","","","0.0819","0.0882","","","","","","1.045","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111052","7.524","0.003","13.975","0.005","9.437","0.004","90","","103.647","0.007","90","","964.3","0.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 N3 O7 P2 -","- C4 H9 N3 O7 P2 -","- C16 H36 N12 O28 P8 -","4","1","","Junhong Mao; Sujoy Mukherjee; Yong Zhang; Rong Cao; John M. Sanders; Yongcheng Song; Yonghui Zhang; Gary A. Meints; Yi Gui Gao; Dushyant Mukkamala; Michael P. Hudock; Eric Oldfield","Solid-State NMR, Crystallographic, and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes","Journal of the American Chemical Society","2006","128","","14485","14497","10.1021/ja061737c","","","0.71073","MoKα","","0.044","0.0345","","","0.0893","0.0943","","","","","","1.036","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111053","9.715","0.004","21.43","0.01","10.023","0.005","90","","93.575","0.008","90","","2082.7","1.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H15 N O6 P2 -","- C5 H15 N O6 P2 -","- C40 H120 N8 O48 P16 -","8","2","","Junhong Mao; Sujoy Mukherjee; Yong Zhang; Rong Cao; John M. Sanders; Yongcheng Song; Yonghui Zhang; Gary A. Meints; Yi Gui Gao; Dushyant Mukkamala; Michael P. Hudock; Eric Oldfield","Solid-State NMR, Crystallographic, and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes","Journal of the American Chemical Society","2006","128","","14485","14497","10.1021/ja061737c","","","0.71073","MoKα","","0.046","0.0348","","","0.0851","0.0896","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111054","6.258","0.003","6.413","0.003","17.221","0.009","85.515","0.009","84.998","0.009","71.069","0.009","650.3","0.6","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H18 N Na O6 P2 -","- C8 H18 N Na O6 P2 -","- C16 H36 N2 Na2 O12 P4 -","2","1","","Junhong Mao; Sujoy Mukherjee; Yong Zhang; Rong Cao; John M. Sanders; Yongcheng Song; Yonghui Zhang; Gary A. Meints; Yi Gui Gao; Dushyant Mukkamala; Michael P. Hudock; Eric Oldfield","Solid-State NMR, Crystallographic, and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes","Journal of the American Chemical Society","2006","128","","14485","14497","10.1021/ja061737c","","","0.71073","MoKα","","0.0837","0.0534","","","0.1183","0.1284","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111055","11.54","0.003","6.5177","0.0016","16.752","0.004","90","","91.214","0.005","90","","1259.7","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H19 N O6 P2 -","- C8 H19 N O6 P2 -","- C32 H76 N4 O24 P8 -","4","1","","Junhong Mao; Sujoy Mukherjee; Yong Zhang; Rong Cao; John M. Sanders; Yongcheng Song; Yonghui Zhang; Gary A. Meints; Yi Gui Gao; Dushyant Mukkamala; Michael P. Hudock; Eric Oldfield","Solid-State NMR, Crystallographic, and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes","Journal of the American Chemical Society","2006","128","","14485","14497","10.1021/ja061737c","","","0.71073","MoKα","","0.116","0.0573","","","0.0938","0.1078","","","","","","0.967","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111056","7.3064","0.0013","11.8405","0.0012","16.476","0.003","71.669","0.01","77.421","0.013","87.599","0.011","1320","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H7 B N O3 Re S2 -","- C10 H7 B N O3 Re S2 -","- C40 H28 B4 N4 O12 Re4 S8 -","4","2","","Leonor Maria; António Paulo; Isabel C. Santos; Isabel Santos; Philipp Kurz; Bernhard Spingler; Roger Alberto","Very Small and Soft Scorpionates: Water Stable Technetium Tricarbonyl Complexes Combining a Bis-agostic (k3-H, H, S) Binding Motif with Pendant and Integrated Bioactive Molecules","Journal of the American Chemical Society","2006","128","","14590","14598","10.1021/ja0644226","","","0.71069","MoKα","","0.0746","0.0461","","","0.1014","0.1101","","","","","","0.994","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111057","13.1996","0.0009","7.1101","0.0003","13.5641","0.0008","90","","118.135","0.007","90","","1122.58","0.13","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 B N2 O3 Re S -","- C7 H8 B N2 O3 Re S -","- C28 H32 B4 N8 O12 Re4 S4 -","4","1","","Leonor Maria; António Paulo; Isabel C. Santos; Isabel Santos; Philipp Kurz; Bernhard Spingler; Roger Alberto","Very Small and Soft Scorpionates: Water Stable Technetium Tricarbonyl Complexes Combining a Bis-agostic (k3-H, H, S) Binding Motif with Pendant and Integrated Bioactive Molecules","Journal of the American Chemical Society","2006","128","","14590","14598","10.1021/ja0644226","","","0.71073","MoKα","","0.0663","0.0473","","","0.1224","0.1324","","","","","","0.996","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111058","13.306","0.001","7.0523","0.0003","13.6754","0.0011","90","","118.449","0.008","90","","1128.3","0.16","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 B N2 O3 S Tc -","- C7 H8 B N2 O3 S Tc -","- C28 H32 B4 N8 O12 S4 Tc4 -","4","1","","Leonor Maria; António Paulo; Isabel C. Santos; Isabel Santos; Philipp Kurz; Bernhard Spingler; Roger Alberto","Very Small and Soft Scorpionates: Water Stable Technetium Tricarbonyl Complexes Combining a Bis-agostic (k3-H, H, S) Binding Motif with Pendant and Integrated Bioactive Molecules","Journal of the American Chemical Society","2006","128","","14590","14598","10.1021/ja0644226","","","0.71073","MoKα","","0.0431","0.0283","","","0.0655","0.0679","","","","","","0.855","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111059","23.039","0.003","7.7428","0.0007","12.9602","0.0014","90","","99.459","0.013","90","","2280.5","0.4","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Cp2Fe,Ni(tfadt)2","","","- C18 H10 F6 Fe N2 Ni S4 -","- C18 H10 F6 Fe N2 Ni S4 -","- C72 H40 F24 Fe4 N8 Ni4 S16 -","4","0.5","","Olivier Jeannin; Rodolphe Clérac; Marc Fourmigué","Order-Disorder Transition Coupled with Magnetic Bistability in the Ferricinium Salt of a Radical Nickel Dithiolene Complex","Journal of the American Chemical Society","2006","128","","14649","14656","10.1021/ja064842v","","","0.71073","MoKα","","0.0857","0.0399","","","0.1003","0.1162","","","","","","0.927","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111060","7.8764","0.0011","11.5708","0.0016","12.946","0.0016","74.955","0.015","83.431","0.016","76.137","0.016","1104.5","0.3","230","2","230","2","","","","","","","","7","P -1","-P 1","2","Cp2Fe,Ni(tfadt)2","","","- C18 H10 F6 Fe N2 Ni S4 -","- C18 H10 F6 Fe N2 Ni S4 -","- C36 H20 F12 Fe2 N4 Ni2 S8 -","2","1","","Olivier Jeannin; Rodolphe Clérac; Marc Fourmigué","Order-Disorder Transition Coupled with Magnetic Bistability in the Ferricinium Salt of a Radical Nickel Dithiolene Complex","Journal of the American Chemical Society","2006","128","","14649","14656","10.1021/ja064842v","","","0.71073","MoKα","","0.1127","0.0512","","","0.1333","0.1592","","","","","","1.005","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111061","12.237","0.003","12.877","0.002","14.957","0.003","77.67","0.02","70.47","0.02","79.62","0.02","2154.8","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","Cp2Fe,Ni(tfadt)2","","","- C18 H10 F6 Fe N2 Ni S4 -","- C18 H10 F6 Fe N2 Ni S4 -","- C72 H40 F24 Fe4 N8 Ni4 S16 -","4","2","","Olivier Jeannin; Rodolphe Clérac; Marc Fourmigué","Order-Disorder Transition Coupled with Magnetic Bistability in the Ferricinium Salt of a Radical Nickel Dithiolene Complex","Journal of the American Chemical Society","2006","128","","14649","14656","10.1021/ja064842v","","","0.71073","MoKα","","0.1929","0.0737","","","0.1816","0.2365","","","","","","0.87","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111062","10.996","0.0002","9.879","0.0002","32.593","0.0008","90","","106.557","0.0007","90","","3393.76","0.12","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ttk-061405","ttk-061405","","- C37 H49 B Fe N4 S -","- C37 H49 B Fe N4 S -","- C148 H196 B4 Fe4 N16 S4 -","4","1","","Terutaka Kitagawa; Abhishek Dey; Priscilla Lugo-Mas; Jason B. Benedict; Werner Kaminsky; Edward Solomon; Julie A. Kovacs","A Functional Model for the Cysteinate-Ligated Non-Heme Iron Enzyme Superoxide Reductase (SOR)","Journal of the American Chemical Society","2006","128","","14448","14449","10.1021/ja064870d","","","0.71073","MoKα","","0.1786","0.0777","","","0.1919","0.2335","","","","","","1.028","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111063","12.2758","0.0012","14.7281","0.0014","13.6554","0.0013","90","","104.403","0.002","90","","2391.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 Cl N3 O10 Ru -","- C21 H28 Cl N3 O10 Ru -","- C84 H112 Cl4 N12 O40 Ru4 -","4","1","","Wai-Lun Man; William W. Y. Lam; Wai-Yeung Wong; Tai-Chu Lau","Oxidation of Nitrite by atrans-Dioxoruthenium(VI) Complex: Direct Evidence for Reversible Oxygen Atom Transfer","Journal of the American Chemical Society","2006","128","","14669","14675","10.1021/ja064975g","","","0.71073","MoKα","","0.0622","0.0408","","","0.1092","0.1221","","","","","","1.043","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111064","11.9706","0.0002","14.8783","0.0003","21.3712","0.0004","77.791","0.001","87.505","0.001","68.785","0.001","3465.78","0.11","183","2","183","2","","","","","","","","6","P -1","-P 1","2","bis[(TMS-imino-di-Ph-phosphorano)methyl]Calcium","","","- C65 H81 Ca N4 P4 Si4 -","- C65 H81 Ca N4 P4 Si4 -","- C130 H162 Ca2 N8 P8 Si8 -","2","1","","Lars Orzechowski; Georg Jansen; Sjoerd Harder","Synthesis, Structure, and Reactivity of a Stabilized Calcium Carbene: R2CCa","Journal of the American Chemical Society","2006","128","","14676","14684","10.1021/ja065000z","","","0.71073","MoKα","","0.0681","0.0426","","","0.1154","0.1241","","","","","","1.091","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111065","23.2067","0.0005","12.2438","0.0003","27.0581","0.0005","90","","118.744","0.001","90","","6740.9","0.3","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(iminophosphorano)methandiide-Calcium","","","- C31 H38 Ca N2 P2 Si2 -","- C31 H38 Ca N2 P2 Si2 -","- C248 H304 Ca8 N16 P16 Si16 -","8","1","","Lars Orzechowski; Georg Jansen; Sjoerd Harder","Synthesis, Structure, and Reactivity of a Stabilized Calcium Carbene: R2CCa","Journal of the American Chemical Society","2006","128","","14676","14684","10.1021/ja065000z","","","0.71073","MoKα","","0.0683","0.043","","","0.0988","0.1102","","","","","","1.057","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111066","91.647","0.003","19.2995","0.0007","20.5818","0.0007","90","","100.163","0.0016","90","","35833","2","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(iminophosphorano)methandiide-Calcium.(2 Adamantyl-CN)2","","","- C180 H224 Ca4 N12 P8 Si8 -","- C180 H224 Ca4 N12 P8 Si8 -","- C1440 H1792 Ca32 N96 P64 Si64 -","8","1","","Lars Orzechowski; Georg Jansen; Sjoerd Harder","Synthesis, Structure, and Reactivity of a Stabilized Calcium Carbene: R2CCa","Journal of the American Chemical Society","2006","128","","14676","14684","10.1021/ja065000z","","","0.71073","MoKα","","0.1051","0.0991","","","0.2364","0.2412","","","","","","1.091","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111067","14.0694","0.0004","16.2726","0.0005","20.5634","0.0007","90.391","0.002","92.101","0.002","102.574","0.002","4591.4","0.3","203","2","203","2","","","","","","","","7","P -1","-P 1","2","bis(iminophosphorano)methandiide-Calcium.(benzophenone)","","","- C81 H92 Ca2 N4 O P4 Si4 -","- C81 H92 Ca2 N4 O P4 Si4 -","- C162 H184 Ca4 N8 O2 P8 Si8 -","2","1","","Lars Orzechowski; Georg Jansen; Sjoerd Harder","Synthesis, Structure, and Reactivity of a Stabilized Calcium Carbene: R2CCa","Journal of the American Chemical Society","2006","128","","14676","14684","10.1021/ja065000z","","","0.71073","MoKα","","0.0477","0.038","","","0.1006","0.1054","","","","","","1.022","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111068","13.8153","0.0004","17.5149","0.0005","18.9903","0.0005","90","","91.418","0.002","90","","4593.7","0.2","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","bis(iminophosphorano)methandiide-Calcium + Cy-N=C=O","","","- C47 H58 Ca N3 O P2 Si2 -","- C47 H58 Ca N3 O P2 Si2 -","- C188 H232 Ca4 N12 O4 P8 Si8 -","4","1","","Lars Orzechowski; Georg Jansen; Sjoerd Harder","Synthesis, Structure, and Reactivity of a Stabilized Calcium Carbene: R2CCa","Journal of the American Chemical Society","2006","128","","14676","14684","10.1021/ja065000z","","","0.71073","MoKα","","0.0685","0.0442","","","0.105","0.118","","","","","","1.035","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111069","9.2443","0.0002","12.736","0.0002","9.4877","0.0002","90","","115.016","0.0008","90","","1012.25","0.04","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 N4 O3 -","- C8 H12 N4 O3 -","- C32 H48 N16 O12 -","4","2","","Louis-Sebastian Sonntag; Sabine Schweizer; Christian Ochsenfeld; Helma Wennemers","The ""Azido Gauche Effect"" Implications for the Conformation of Azidoprolines","Journal of the American Chemical Society","2006","128","","14697","14703","10.1021/ja0654938","","","0.71073","MoKα","","0.0463","0.039","","0.0495","0.0397","0.0397","","","","","","0.9367","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111070","5.2995","0.0001","15.4255","0.0004","18.7201","0.0006","90","","95.174","0.001","90","","1524.08","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","acetic acid:10,11-dihydrocarbamazepine","acetic acid:10,11-dihydrocarbamazepine","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 H72 N8 O12 -","4","1","","Aurora J. Cruz Cabeza; Graeme M. Day; W. D. Samuel Motherwell; William Jones","Prediction and Observation of Isostructurality Induced by Solvent Incorporation in Multicomponent Crystals","Journal of the American Chemical Society","2006","128","","14466","14467","10.1021/ja065845a","","","0.71073","MoKα","","0.0578","0.0429","","","0.1032","0.1119","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111071","9.2759","0.0008","9.2759","0.0008","6.6127","0.0004","90","","90","","90","","568.97","0.08","100","1","","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C5 H8 N4 O12 -","- C5 H8 N4 O12 -","- C10 H16 N8 O24 -","2","0.25","","Elizabeth A. Zhurova; Adam I. Stash; Vladimir G. Tsirelson; Vladimir V. Zhurov; Ekaterina V. Bartashevich; Vladimir A. Potemkin; A. Alan Pinkerton","Atoms-in-Molecules Study of Intra- and Intermolecular Bonding in the Pentaerythritol Tetranitrate Crystal","Journal of the American Chemical Society","2006","128","","14728","14734","10.1021/ja0658620","","","0.71073","MoKα","","","0.0104","","","","0.0125","","","","","","1.17","","","","has coordinates","192343","2020-10-21","18:00:00",""
"4111072","40.384","0.004","6.3078","0.0006","27.942","0.003","90","","124.144","0.002","90","","5890.9","1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 S3 -","- C24 H24 S3 -","- C288 H288 S36 -","12","1.5","","Daisuke Yamazaki; Tohru Nishinaga; Nobuhide Tanino; Koichi Komatsu","Terthiophene Radical Cations End-Capped by Bicyclo[2.2.2]octene Units: Formation of Bent π-Dimers Mutually Attracted at the Central Position","Journal of the American Chemical Society","2006","128","","14470","14471","10.1021/ja065995l","","","0.71073","MoKα","","0.0544","0.0375","","","0.0754","0.0792","","","","","","1.001","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111073","11.6808","0.0017","21.565","0.003","19.163","0.003","90","","90","","90","","4827.1","1.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H24 F6 S3 Sb -","- C24 H24 F6 S3 Sb -","- C192 H192 F48 S24 Sb8 -","8","1","","Daisuke Yamazaki; Tohru Nishinaga; Nobuhide Tanino; Koichi Komatsu","Terthiophene Radical Cations End-Capped by Bicyclo[2.2.2]octene Units: Formation of Bent π-Dimers Mutually Attracted at the Central Position","Journal of the American Chemical Society","2006","128","","14470","14471","10.1021/ja065995l","","","0.71073","MoKα","","0.0784","0.049","","","0.1004","0.1092","","","","","","1.002","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111074","11.7896","0.0013","21.747","0.002","19.296","0.002","90","","90","","90","","4947.3","0.9","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H24 F6 S3 Sb -","- C24 H24 F6 S3 Sb -","- C192 H192 F48 S24 Sb8 -","8","1","","Daisuke Yamazaki; Tohru Nishinaga; Nobuhide Tanino; Koichi Komatsu","Terthiophene Radical Cations End-Capped by Bicyclo[2.2.2]octene Units: Formation of Bent π-Dimers Mutually Attracted at the Central Position","Journal of the American Chemical Society","2006","128","","14470","14471","10.1021/ja065995l","","","0.71073","MoKα","","0.147","0.128","","","0.2471","0.2553","","","","","","1.413","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111075","15.0389","0.0006","9.5664","0.0004","9.5827","0.0004","90","","104.815","0.002","90","","1332.81","0.1","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Br N3 O5 Re -","- C10 H7 Br N3 O5 Re -","- C40 H28 Br4 N12 O20 Re4 -","4","1","","Chinnasamy Ramesh; Bj Bryant; Tapan Nayak; Chetana M. Revankar; Tamara Anderson; Kathryn E. Carlson; John A. Katzenellenbogen; Larry A. Sklar; Jeffrey P. Norenberg; Eric R. Prossnitz; Jeffrey B. Arterburn","Linkage Effects on Binding Affinity and Activation of GPR30 and Estrogen Receptors ERα/β with Tridentate Pyridin-2-yl Hydrazine Tricarbonyl-Re/99mTc(I) Chelates","Journal of the American Chemical Society","2006","128","","14476","14477","10.1021/ja066360p","","","0.71073","MoKα","","0.0595","0.0302","","","0.0643","0.0754","","","","","","0.988","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111076","8.545","0.002","8.875","0.002","9.964","0.002","90","","113.978","0.003","90","","690.4","0.3","115.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C34 H36 O4 -","2","1","","David J. Gorin; Pascal Dubé; F. Dean Toste","Synthesis of Benzonorcaradienes by Gold(I)-Catalyzed [4+3] Annulation","Journal of the American Chemical Society","2006","128","","14480","14481","10.1021/ja066694e","","","0.7107","MoKα","","0.0373","0.0321","","0.0405","","0.0397","","","","","","1.851","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111077","6.9033","0.0012","11.659","0.002","15.64","0.003","85.862","0.003","78.785","0.003","85.496","0.003","1228.9","0.4","120","1","120","1","","","","","","","","3","P -1","-P 1","2","","","","- C26 H28 O10 -","- C26.008 H28 O10.008 -","- C52.016 H56 O20.016 -","2","1","","Alex R. Lippert; Juthanat Kaeobamrung; Jeffrey W. Bode","Synthesis of Oligosubstituted Bullvalones: Shapeshifting Molecules Under Basic Conditions","Journal of the American Chemical Society","2006","128","","14738","14739","10.1021/ja063900+","","","0.71073","MoKα","","0.1534","0.1035","","","0.3045","0.3273","","","","","","1.049","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111078","12.3614","0.0006","21.3847","0.0011","19.3817","0.001","90","","95.744","0.001","90","","5097.7","0.4","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CB5+CB5","CB5+CB5","","- C70 H123.56 I2 N44 O42.78 -","- C70 H101.16 I2 N44 O42.78 -","- C140 H202.32 I4 N88 O85.56 -","2","0.5","","Wei-Hao Huang; Simin Liu; Peter Y. Zavalij; Lyle Isaacs","Nor-Seco-Cucurbit[10]uril Exhibits Homotropic Allosterism","Journal of the American Chemical Society","2006","128","","14744","14745","10.1021/ja064776x","","","0.71073","MoKα","","0.0536","0.0433","","","0.093","0.0969","","","","","","1","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111079","9.5735","0.0007","11.3637","0.0008","13.0078","0.0009","65.779","0.001","73.406","0.001","80.72","0.001","1235.23","0.15","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","catena-((3,3-bis-methyl-1,3-selenasiletane) -dirhodium(ii)-tetratrifluoroacetate)","","- C12 H10 F12 O8 Rh2 Se Si -","- C12 H10 F11.94 O8 Rh2 Se Si -","- C24 H20 F23.88 O16 Rh4 Se2 Si2 -","2","1","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0555","0.0436","","","0.106","0.1138","","","","","","1.039","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111080","6.6704","0.0005","9.8045","0.0007","10.894","0.0007","98.97","0.001","95.843","0.001","106.35","0.001","667.27","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3,3,7,7-Tetramethyl-1,5-dithia-3,7-disilocane","","- C8 H20 S2 Si2 -","- C8 H20 S2 Si2 -","- C16 H40 S4 Si4 -","2","1","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0329","0.0303","","","0.0798","0.0821","","","","","","1.077","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111081","13.8814","0.0008","9.1545","0.0005","12.5777","0.0007","90","","93.045","0.001","90","","1596.08","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,5-Bis-trimethylsilyl-1,3,5-dithiasiletane","","- C9 H24 S2 Si3 -","- C9 H24 S2 Si3 -","- C36 H96 S8 Si12 -","4","1","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.026","0.024","","","0.0656","0.0671","","","","","","1.051","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111082","6.2586","0.0004","7.9795","0.0005","11.3208","0.0007","104.223","0.001","93.624","0.001","107.762","0.001","516.03","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3,3,4,4,8,8,9,9-Octamethyl-1,6-dithia-3,4,8,9-tetrasilacyclodecane","","- C12 H32 S2 Si4 -","- C12 H32 S2 Si4 -","- C12 H32 S2 Si4 -","1","0.5","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0235","0.022","","","0.0622","0.0633","","","","","","1.068","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111083","7.3665","0.0004","13.2789","0.0007","14.1387","0.0007","90","","99.651","0.001","90","","1363.46","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3,7,7-Tetramethyl-1,5-diselena-3,7-disilocane","","- C8 H20 Se2 Si2 -","- C8 H20 Se2 Si2 -","- C32 H80 Se8 Si8 -","4","1","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0235","0.0201","","","0.0511","0.0526","","","","","","1.065","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111084","6.2293","0.0004","8.0571","0.0005","11.4887","0.0007","103.891","0.001","94.182","0.001","107.231","0.001","528.14","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3,3,4,4,8,8,9,9-Octamethyl-1,6-diselena-3,4,8,9-tetrasilacyclodecane","","- C12 H32 Se2 Si4 -","- C12 H32 Se2 Si4 -","- C12 H32 Se2 Si4 -","1","0.5","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0193","0.0182","","","0.0497","0.0504","","","","","","1.088","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111085","9.097","0.002","11.189","0.003","7.0389","0.0016","90","","91.984","0.003","90","","716","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3,7,7-Tetramethyl-1,5-diselena-3,7-distannocane","","- C8 H20 Se2 Sn2 -","- C8 H20 Se2 Sn2 -","- C16 H40 Se4 Sn4 -","2","0.5","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0381","0.0325","","","0.0801","0.0833","","","","","","1.031","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111086","12.2465","0.0007","12.1821","0.0007","9.7334","0.0006","90","","90","","90","","1452.11","0.15","173","2","90","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3,3-Bis-trimethylsilyl-1,3-selenasiletane","","- C8 H22 Se Si3 -","- C8 H22 Se Si3 -","- C32 H88 Se4 Si12 -","4","0.5","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0251","0.0223","","","0.0585","0.0599","","","","","","1.043","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111087","8.1944","0.0005","8.2657","0.0005","12.9537","0.0009","90","","90","","90","","877.39","0.1","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3-thiaselenetane-1-oxide","","- C2 H4 O S Se -","- C2 H4 O S Se -","- C16 H32 O8 S8 Se8 -","8","2","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0232","0.023","","","0.0593","0.0594","","","","","","1.052","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111088","5.6201","0.0006","5.429","0.0006","7.928","0.0009","90","","101.007","0.002","90","","237.45","0.05","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","1,3-thiaselenetane-1,1-dioxide","","- C2 H4 O2 S Se -","- C2 H4 O2 S Se -","- C4 H8 O4 S2 Se2 -","2","1","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0406","0.0399","","","0.1015","0.1022","","","","","","1.031","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111089","8.0944","0.0004","25.8749","0.0013","10.6969","0.0005","90","","106.583","0.001","90","","2147.19","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3,7,7-Tetramethyl-3,7-disila-1,5-ditelluracyclooctane","","- C8 H20 Si2 Te2 -","- C8 H20 Si2 Te2 -","- C48 H120 Si12 Te12 -","6","1.5","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.021","0.0182","","","0.0419","0.0427","","","","","","1.054","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111090","6.5427","0.0003","13.7608","0.0006","16.984","0.0008","90","","98.613","0.001","90","","1511.87","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3,7,7-tetrakis(trimethylsilyl)-3,7-disila-1,5-ditelluracyclooctane","","- C16 H44 Si6 Te2 -","- C16 H44 Si6 Te2 -","- C32 H88 Si12 Te4 -","2","0.5","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0297","0.0245","","","0.0555","0.0574","","","","","","1.062","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111091","17.4033","0.0014","7.8526","0.0007","12.3918","0.001","90","","108.557","0.001","90","","1605.4","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(bromomethyl)bis(trimethylsilyl)silane","","- C8 H22 Br2 Si3 -","- C8 H22 Br2 Si3 -","- C32 H88 Br8 Si12 -","4","0.5","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0373","0.03","","","0.0717","0.0749","","","","","","1.044","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111092","12.2325","0.0011","12.3562","0.0011","9.6165","0.0009","90","","90","","90","","1453.5","0.2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3,3-Bis-trimethylsilyl-1,3-thiasiletane","","- C8 H22 S Si3 -","- C7.94 H21.82 S Si3 -","- C31.76 H87.28 S4 Si12 -","4","0.5","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0354","0.0334","","","0.0913","0.0936","","","","","","1.045","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111093","19.4457","0.0008","19.4457","0.0008","7.9176","0.0006","90","","90","","90","","2993.9","0.3","173","2","173","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","1,1-Diiodo-3,3,4,4-tetramethyl-1,3,4-telluradisilolane","","- C6 H16 I2 Si2 Te -","- C6 H16 I2 Si2 Te -","- C48 H128 I16 Si16 Te8 -","8","1","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0282","0.0267","","","0.0622","0.0632","","","","","","1.058","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111094","11.144","0.0006","14.0403","0.0008","20.9983","0.0012","79.785","0.002","82.574","0.002","82.006","0.003","3183.5","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C97 H168 Mo N2 O26 Si16 -","- C97 H168 Mo N2 O26 Si16 -","- C97 H168 Mo N2 O26 Si16 -","1","0.5","","Hyeon Mo Cho; Haim Weissman; Scott R. Wilson; Jeffrey S. Moore","A Mo(VI) Alkylidyne Complex with Polyhedral Oligomeric Silsesquioxane Ligands: Homogeneous Analogue of a Silica-Supported Alkyne Metathesis Catalyst","Journal of the American Chemical Society","2006","128","","14742","14743","10.1021/ja065101x","","","0.71073","MoKα","","0.2018","0.1241","","","0.3446","0.3908","","","","","","1.682","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111095","13.9005","0.0005","16.8027","0.0007","17.0142","0.0007","83.666","0.001","69.925","0.001","84.126","0.001","3700.9","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C87 H80 F3 Fe O3 P5 S -","- C87 H80 F3 Fe O3 P5 S -","- C174 H160 F6 Fe2 O6 P10 S2 -","2","1","","Joseph G. Cordaro; Daniel Stein; Hansjörg Grützmacher","A Synthetic Cycle for the Ruthenium-Promoted Formation of 1H-Phosphindoles from Phosphaalkynes","Journal of the American Chemical Society","2006","128","","14962","14971","10.1021/ja0651198","","","0.71073","MoKα","","0.0716","0.0518","","","0.1193","0.1311","","","","","","1.02","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111096","16.7591","0.001","10.517","0.0007","19.233","0.0012","90","","113.844","0.001","90","","3100.6","0.3","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 P -","- C20 H15 P -","- C160 H120 P8 -","8","1","","Joseph G. Cordaro; Daniel Stein; Hansjörg Grützmacher","A Synthetic Cycle for the Ruthenium-Promoted Formation of 1H-Phosphindoles from Phosphaalkynes","Journal of the American Chemical Society","2006","128","","14962","14971","10.1021/ja0651198","","","0.71073","MoKα","","0.0669","0.0613","","","0.1476","0.1513","","","","","","1.146","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111097","6.0334","0.0005","13.6676","0.001","17.8731","0.0014","90","","91.428","0.002","90","","1473.4","0.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 P -","- C20 H15 P -","- C80 H60 P4 -","4","1","","Joseph G. Cordaro; Daniel Stein; Hansjörg Grützmacher","A Synthetic Cycle for the Ruthenium-Promoted Formation of 1H-Phosphindoles from Phosphaalkynes","Journal of the American Chemical Society","2006","128","","14962","14971","10.1021/ja0651198","","","0.71073","MoKα","","0.0643","0.0588","","","0.1436","0.1476","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111098","17.285","0.007","17.059","0.007","23.956","0.01","90","","101.116","0.008","90","","6931","5","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H72 F3 O3 P5 Ru S -","- C80 H72 F3 O3 P5 Ru S -","- C320 H288 F12 O12 P20 Ru4 S4 -","4","1","","Joseph G. Cordaro; Daniel Stein; Hansjörg Grützmacher","A Synthetic Cycle for the Ruthenium-Promoted Formation of 1H-Phosphindoles from Phosphaalkynes","Journal of the American Chemical Society","2006","128","","14962","14971","10.1021/ja0651198","","","0.71073","MoKα","","0.1224","0.0469","","","0.1017","0.1329","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111099","21.066","0.004","5.706","0.001","13.026","0.002","90","","100.106","0.003","90","","1541.5","0.5","100","1","100","1","","","","","","","see text","3","C 1 2 1","C 2y","5","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","","Gareth P. Howell; Stephen P. Fletcher; Koen Geurts; Bjorn ter Horst; Ben L. Feringa","Catalytic Asymmetric Synthesis of Acyclic Arrays by Tandem 1,4-Addition-Aldol Reactions","Journal of the American Chemical Society","2006","128","","14977","14985","10.1021/ja0651862","","","0.71073","MoKα","","0.0549","0.0481","","","0.1654","0.168","","","","","","1.302","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111100","5.7337","0.0005","11.389","0.001","25.942","0.002","90","","90","","90","","1694","0.2","100","1","100","1","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C72 H76 N4 O16 S4 -","4","1","","Gareth P. Howell; Stephen P. Fletcher; Koen Geurts; Bjorn ter Horst; Ben L. Feringa","Catalytic Asymmetric Synthesis of Acyclic Arrays by Tandem 1,4-Addition-Aldol Reactions","Journal of the American Chemical Society","2006","128","","14977","14985","10.1021/ja0651862","","","0.71073","MoKα","","0.0274","0.0261","","","0.0621","0.0629","","","","","","1.054","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111101","16.2034","0.0017","21.886","0.002","22.723","0.002","90","","90.172","0.001","90","","8058.2","1.3","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 F36 Mn3 N6 O3 P2 -","- C72 H60 F36 Mn3 N6 O3 P2 -","- C288 H240 F144 Mn12 N24 O12 P8 -","4","1","","Jillian A. Hatnean; Ritu Raturi; Julie Lefebvre; Daniel B. Leznoff; Gavin Lawes; Samuel A. Johnson","Assembly of Triangular Trimetallic Complexes by Triamidophosphine Ligands: Spin-Frustrated Mn2+ Plaquettes and Diamagnetic Mg2+ Analogues with a Combined Through-Space, Through-Bond Pathway for 31P-31P Spin-Spin Coupling","Journal of the American Chemical Society","2006","128","","14992","14999","10.1021/ja065597i","","","0.71073","MoKα","","0.0685","0.053","","","0.1339","0.1461","","","","","","1.034","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111102","24.178","0.0016","24.178","0.0016","54.747","0.008","90","","90","","120","","27716","5","133","2","133","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H60 F36 Mn3 N6 O3 P2 -","- C71.97 H48 F36 Mn3 N6 O3 P2 -","- C863.64 H576 F432 Mn36 N72 O36 P24 -","12","0.666667","","Jillian A. Hatnean; Ritu Raturi; Julie Lefebvre; Daniel B. Leznoff; Gavin Lawes; Samuel A. Johnson","Assembly of Triangular Trimetallic Complexes by Triamidophosphine Ligands: Spin-Frustrated Mn2+ Plaquettes and Diamagnetic Mg2+ Analogues with a Combined Through-Space, Through-Bond Pathway for 31P-31P Spin-Spin Coupling","Journal of the American Chemical Society","2006","128","","14992","14999","10.1021/ja065597i","","","0.71073","MoKα","","0.0826","0.0598","","","0.1628","0.1762","","","","","","1.038","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111103","26.882","0.004","9.5933","0.0013","25.776","0.003","90","","108.937","0.002","90","","6287.5","1.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H81 Mg3 N6 O3 P2 -","- C69 H81 Mg3 N6 O3 P2 -","- C276 H324 Mg12 N24 O12 P8 -","4","1","","Jillian A. Hatnean; Ritu Raturi; Julie Lefebvre; Daniel B. Leznoff; Gavin Lawes; Samuel A. Johnson","Assembly of Triangular Trimetallic Complexes by Triamidophosphine Ligands: Spin-Frustrated Mn2+ Plaquettes and Diamagnetic Mg2+ Analogues with a Combined Through-Space, Through-Bond Pathway for 31P-31P Spin-Spin Coupling","Journal of the American Chemical Society","2006","128","","14992","14999","10.1021/ja065597i","","","0.71073","MoKα","","0.0939","0.0586","","","0.1238","0.14","","","","","","1.046","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111104","16.1671","0.0019","21.732","0.003","22.771","0.003","90","","90.654","0.001","90","","7999.9","1.8","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 F36 Mg3 N6 O3 P2 -","- C72 H60 F36 Mg3 N6 O3 P2 -","- C288 H240 F144 Mg12 N24 O12 P8 -","4","1","","Jillian A. Hatnean; Ritu Raturi; Julie Lefebvre; Daniel B. Leznoff; Gavin Lawes; Samuel A. Johnson","Assembly of Triangular Trimetallic Complexes by Triamidophosphine Ligands: Spin-Frustrated Mn2+ Plaquettes and Diamagnetic Mg2+ Analogues with a Combined Through-Space, Through-Bond Pathway for 31P-31P Spin-Spin Coupling","Journal of the American Chemical Society","2006","128","","14992","14999","10.1021/ja065597i","","","0.71073","MoKα","","0.0776","0.062","","","0.159","0.1746","","","","","","1.02","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111105","24.1481","0.0011","24.1481","0.0011","54.053","0.005","90","","90","","120","","27297","3","143","2","143","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H60 F36 Mg3 N6 O3 P2 -","- C71.97 H48 F36 Mg3 N6 O3 P2 -","- C863.64 H576 F432 Mg36 N72 O36 P24 -","12","0.666667","","Jillian A. Hatnean; Ritu Raturi; Julie Lefebvre; Daniel B. Leznoff; Gavin Lawes; Samuel A. Johnson","Assembly of Triangular Trimetallic Complexes by Triamidophosphine Ligands: Spin-Frustrated Mn2+ Plaquettes and Diamagnetic Mg2+ Analogues with a Combined Through-Space, Through-Bond Pathway for 31P-31P Spin-Spin Coupling","Journal of the American Chemical Society","2006","128","","14992","14999","10.1021/ja065597i","","","0.71073","MoKα","","0.1218","0.0982","","","0.2915","0.3128","","","","","","1.219","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111106","9.8336","0.001","13.305","0.0013","22.388","0.002","86.353","0.001","81.887","0.001","84.517","0.001","2882.8","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H78 Mn3 N6 O4.5 P2 -","- C60 H78 Mn3 N6 O4.5 P2 -","- C120 H156 Mn6 N12 O9 P4 -","2","1","","Jillian A. Hatnean; Ritu Raturi; Julie Lefebvre; Daniel B. Leznoff; Gavin Lawes; Samuel A. Johnson","Assembly of Triangular Trimetallic Complexes by Triamidophosphine Ligands: Spin-Frustrated Mn2+ Plaquettes and Diamagnetic Mg2+ Analogues with a Combined Through-Space, Through-Bond Pathway for 31P-31P Spin-Spin Coupling","Journal of the American Chemical Society","2006","128","","14992","14999","10.1021/ja065597i","","","0.71073","MoKα","","0.0625","0.0487","","","0.1384","0.1562","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111107","12.6659","0.0009","12.7083","0.0009","13.2977","0.001","98.423","0.006","113.73","0.005","110.982","0.006","1720.6","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H108 Ca2 N4 O4 -","- C73 H108 Ca2 N4 O4 -","- C73 H108 Ca2 N4 O4 -","1","0.5","","Christian Ruspic; Sharanappa Nembenna; Anja Hofmeister; Jörg Magull; Sjoerd Harder; Herbert W. Roesky","A Well-Defined Hydrocarbon-Soluble Calcium Hydroxide: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2006","128","","15000","15004","10.1021/ja065631t","","","0.71073","MoKα","","0.1152","0.0561","","","0.0802","0.089","","","","","","0.942","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111108","12.772","0.0003","13.1364","0.0003","14.9127","0.0004","94.776","0.001","111.066","0.001","116.428","0.001","2000.27","0.09","183","2","183","2","","","","","","","","5","P -1","-P 1","2","DIPPnacnacCaOH-OCPh2","","","- C45 H55 Ca N2 O2 -","- C45 H55 Ca N2 O2 -","- C90 H110 Ca2 N4 O4 -","2","1","","Christian Ruspic; Sharanappa Nembenna; Anja Hofmeister; Jörg Magull; Sjoerd Harder; Herbert W. Roesky","A Well-Defined Hydrocarbon-Soluble Calcium Hydroxide: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2006","128","","15000","15004","10.1021/ja065631t","","","0.71071","MoKα","","0.0543","0.0406","","","0.1089","0.1182","","","","","","1.041","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111109","48.19","0.005","12.5951","0.0013","22.291","0.002","90","","102.85","0.006","90","","13191","2","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","DIPP-nacnacCaOH","","","- C66 H100 Ca2 N4 O4 -","- C66 H100 Ca2 N4 O4 -","- C528 H800 Ca16 N32 O32 -","8","1","","Christian Ruspic; Sharanappa Nembenna; Anja Hofmeister; Jörg Magull; Sjoerd Harder; Herbert W. Roesky","A Well-Defined Hydrocarbon-Soluble Calcium Hydroxide: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2006","128","","15000","15004","10.1021/ja065631t","","","0.71073","MoKα","","0.0855","0.0519","","","0.1319","0.152","","","","","","1.04","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111110","13.7837","0.0002","19.5766","0.0003","18.6673","0.0002","90","","109.756","0.0007","90","","4740.67","0.11","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","?","8","P 1 21/n 1","-P 2yn","14","","[Ti(NtBu)(Me3[9]aneN3)(u-Me)2AlMe2][B(C6F5)4]","","- C42 H44 Al B Cl2 F20 N4 Ti -","- C42 H44 Al B Cl2 F20 N4 Ti -","- C168 H176 Al4 B4 Cl8 F80 N16 Ti4 -","4","1","","Paul D. Bolton; Eric Clot; Andrew R. Cowley; Philip Mountford","AlMe3 and ZnMe2 Adducts of a Titanium Imido Methyl Cation: A Combined Crystallographic, Spectroscopic, and DFT Study","Journal of the American Chemical Society","2006","128","","15005","15018","10.1021/ja065638a","","","0.71073","MoKα","","0.0658","0.0359","","0.0533","0.0371","0.0371","","","","","","1.1037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111111","11.732","0.003","13.594","0.002","15.641","0.003","90","","104.161","0.008","90","","2418.7","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 N2 O W -","- C24 H42 N2 O W -","- C96 H168 N8 O4 W4 -","4","1","","Jenkins Y. K. Tsang; Chikako Fujita-Takayama; Miriam S. A. Buschhaus; Brian O. Patrick; Peter Legzdins","Concurrent N-H and α-C-H Bond Activations of Pyrrolidine and Piperidine under Ambient Conditions by 18e Tungsten Allyl Nitrosyl Complexes","Journal of the American Chemical Society","2006","128","","14762","14763","10.1021/ja065663g","","","0.71069","MoKα","","0.043","0.0262","","","0.0651","0.0665","","","","","","0.938","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111112","10.776","0.001","18.681","0.002","13.048","0.001","90","","98.56","0.005","90","","2597.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H44 N2 O W -","- C25 H44 N2 O W -","- C100 H176 N8 O4 W4 -","4","1","","Jenkins Y. K. Tsang; Chikako Fujita-Takayama; Miriam S. A. Buschhaus; Brian O. Patrick; Peter Legzdins","Concurrent N-H and α-C-H Bond Activations of Pyrrolidine and Piperidine under Ambient Conditions by 18e Tungsten Allyl Nitrosyl Complexes","Journal of the American Chemical Society","2006","128","","14762","14763","10.1021/ja065663g","","","0.71069","MoKα","","0.0252","0.0201","","","0.0472","0.0502","","","","","","1.065","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111113","12.6452","0.0004","8.1081","0.0003","22.9995","0.0008","90","","95.311","0.002","90","","2347.98","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H40 N2 O W -","- C23 H40 N2 O W -","- C92 H160 N8 O4 W4 -","4","1","","Jenkins Y. K. Tsang; Chikako Fujita-Takayama; Miriam S. A. Buschhaus; Brian O. Patrick; Peter Legzdins","Concurrent N-H and α-C-H Bond Activations of Pyrrolidine and Piperidine under Ambient Conditions by 18e Tungsten Allyl Nitrosyl Complexes","Journal of the American Chemical Society","2006","128","","14762","14763","10.1021/ja065663g","","","0.71073","MoKα","","0.0252","0.02","","","0.048","0.05","","","","","","1.061","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111114","8.983","0.002","16.458","0.004","12.047","0.003","90","","108.031","0.004","90","","1693.6","0.7","133","","133","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O -","- C24 H18 O -","- C96 H72 O4 -","4","1","","Paul A. Wender; Thomas J. Paxton; Travis J. Williams","Cyclopentadienone Synthesis by Rhodium(I)-Catalyzed [3 + 2] Cycloaddition Reactions of Cyclopropenones and Alkynes","Journal of the American Chemical Society","2006","128","","14814","14815","10.1021/ja065868p","","","0.71073","MoKα","","0.1116","0.0577","","","0.1378","0.1716","","","","","","0.94","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111115","8.976","0.004","24.23","0.012","10.021","0.005","90","","111.058","0.006","90","","2033.9","1.7","143","","143","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H22 O3 -","- C27 H22 O3 -","- C108 H88 O12 -","4","1","","Paul A. Wender; Thomas J. Paxton; Travis J. Williams","Cyclopentadienone Synthesis by Rhodium(I)-Catalyzed [3 + 2] Cycloaddition Reactions of Cyclopropenones and Alkynes","Journal of the American Chemical Society","2006","128","","14814","14815","10.1021/ja065868p","","","0.71073","MoKα","","0.0885","0.0511","","","0.1216","0.1419","","","","","","0.975","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111116","12.4589","0.0017","23.392","0.003","14.92","0.002","90","","99.347","0.003","90","","4290.5","1","148","","148","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C61 H40 O -","- C61 H40 O -","- C244 H160 O4 -","4","1","","Paul A. Wender; Thomas J. Paxton; Travis J. Williams","Cyclopentadienone Synthesis by Rhodium(I)-Catalyzed [3 + 2] Cycloaddition Reactions of Cyclopropenones and Alkynes","Journal of the American Chemical Society","2006","128","","14814","14815","10.1021/ja065868p","","","0.71073","MoKα","","0.0731","0.0432","","","0.0993","0.1108","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111117","15.8979","0.0014","5.7353","0.0007","15.816","0.0015","90","","90.979","0.006","90","","1441.9","0.3","150","1","150","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Ryan Hili; Andrei K. Yudin","Readily Available Unprotected Amino Aldehydes","Journal of the American Chemical Society","2006","128","","14772","14773","10.1021/ja065898s","","","0.71073","MoKα","","0.0848","0.0465","","","0.0979","0.1156","","","","","","1.043","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111118","7.9853","0.0009","10.9831","0.0014","12.159","0.0013","90.291","0.006","98.77","0.006","102.687","0.006","1027.4","0.2","150","1","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H25 N3 -","- C26 H25 N3 -","- C52 H50 N6 -","2","1","","Ryan Hili; Andrei K. Yudin","Readily Available Unprotected Amino Aldehydes","Journal of the American Chemical Society","2006","128","","14772","14773","10.1021/ja065898s","","","0.71073","MoKα","","0.1085","0.0614","","","0.1483","0.178","","","","","","1.002","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111119","10.2004","0.0015","13.1685","0.0019","14.655","0.002","80.935","0.002","71.599","0.002","78.763","0.002","1822.3","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H40 F3 N O3 P Rh S -","- C39 H40 F3 N O3 P Rh S -","- C78 H80 F6 N2 O6 P2 Rh2 S2 -","2","1","","Joan Vignolle; Bruno Donnadieu; Didier Bourissou; Michèle Soleilhavoup; Guy Bertrand","Cyclic C-Amino Phosphorus Ylides as a Source of Bidentate Heteroditopic Ligands (Phosphine/Aminocarbene) for Transition Metals","Journal of the American Chemical Society","2006","128","","14810","14811","10.1021/ja0662725","","","0.71073","MoKα","","0.065","0.0488","","","0.1159","0.1222","","","","","","0.989","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111120","17.7471","0.0012","8.8609","0.0006","13.0417","0.0009","90","","108.767","0.003","90","","1941.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H33 Cl2 N4 P Pd -","- C13 H33 Cl2 N4 P Pd -","- C52 H132 Cl8 N16 P4 Pd4 -","4","1","","Joan Vignolle; Bruno Donnadieu; Didier Bourissou; Michèle Soleilhavoup; Guy Bertrand","Cyclic C-Amino Phosphorus Ylides as a Source of Bidentate Heteroditopic Ligands (Phosphine/Aminocarbene) for Transition Metals","Journal of the American Chemical Society","2006","128","","14810","14811","10.1021/ja0662725","","","0.71073","MoKα","","0.0242","0.0185","","","0.0453","0.0478","","","","","","1.03","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111121","9.6","0.0003","18.8209","0.0005","33.2053","0.001","90","","92.565","0.001","90","","5993.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cl2 N P Pd -","- C28 H34 Cl2 N P Pd -","- C224 H272 Cl16 N8 P8 Pd8 -","8","2","","Joan Vignolle; Bruno Donnadieu; Didier Bourissou; Michèle Soleilhavoup; Guy Bertrand","Cyclic C-Amino Phosphorus Ylides as a Source of Bidentate Heteroditopic Ligands (Phosphine/Aminocarbene) for Transition Metals","Journal of the American Chemical Society","2006","128","","14810","14811","10.1021/ja0662725","","","0.71073","MoKα","","0.0694","0.0425","","","0.0939","0.1027","","","","","","0.919","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111122","13.0253","0.0004","14.6703","0.0005","17.4565","0.0006","98.194","0.002","94.66","0.002","100.156","0.002","3230.46","0.19","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H56 F6 N2 O6 P2 Pd2 S2 -","- C68 H56 F6 N2 O6 P2 Pd2 S2 -","- C136 H112 F12 N4 O12 P4 Pd4 S4 -","2","1","","Joan Vignolle; Bruno Donnadieu; Didier Bourissou; Michèle Soleilhavoup; Guy Bertrand","Cyclic C-Amino Phosphorus Ylides as a Source of Bidentate Heteroditopic Ligands (Phosphine/Aminocarbene) for Transition Metals","Journal of the American Chemical Society","2006","128","","14810","14811","10.1021/ja0662725","","","0.71073","MoKα","","0.0426","0.0313","","","0.0806","0.0856","","","","","","1.07","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111123","14.004","0.0003","15.699","0.0006","16.6964","0.0004","109.117","0.002","113.384","0.001","98.152","0.002","3023.03","0.17","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C59.35 H60.15 B F15 N4 O3 Zn2 -","- C59.35 H60.15 B F15 N4 O3 Zn2 -","- C118.7 H120.3 B2 F30 N8 O6 Zn4 -","2","1","","Logan E. Garner; Hongping Zhu; Mark L. Hlavinka; John R. Hagadorn; Eugene Y.-X. Chen","Cationic Zinc Enolates as Highly Active Catalysts for Acrylate Polymerization","Journal of the American Chemical Society","2006","128","","14822","14823","10.1021/ja066401h","","","0.71073","MoKα","","0.1737","0.0655","","","0.148","0.1855","","","","","","1.016","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111124","8.2717","0.0006","8.2798","0.0005","9.1507","0.0007","72.459","0.003","88.762","0.004","75.142","0.003","576.54","0.07","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C11 H13 Br O6 -","- C11 H13 Br O6 -","- C22 H26 Br2 O12 -","2","2","","Xiaoguang Lei; John A. Porco","Total Synthesis of the Diazobenzofluorene Antibiotic (-)-Kinamycin C1","Journal of the American Chemical Society","2006","128","","14790","14791","10.1021/ja066621v","","","0.71073","MoKα","","0.0286","0.0257","","","0.065","0.0658","","","","","","1.062","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111125","33.186","0.005","66.054","0.01","14.882","0.002","90","","110.699","0.002","90","","30517","8","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","MOF-Fe/AgOTf-1","","","- C160 H123 Ag3 F9 Fe3 N29 O9 S3 -","- C160 H123 Ag3 F9 Fe3 N29 O9 S3 -","- C1280 H984 Ag24 F72 Fe24 N232 O72 S24 -","8","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.162","0.0847","","","0.2048","0.2314","","","","","","1.029","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111126","15.874","0.002","24.606","0.003","16.377","0.002","90","","110.009","0.002","90","","6010.7","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","MOF-Fe/AgSbF~6~-1","","","- C53 H42 Ag F6 Fe N10 Sb -","- C53 H42 Ag F6 Fe N10 Sb -","- C212 H168 Ag4 F24 Fe4 N40 Sb4 -","4","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.1297","0.107","","","0.2651","0.2759","","","","","","1.078","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111127","33.41","0.02","26.932","0.016","12.365","0.008","90","","91.533","0.01","90","","11122","12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","MOF-Co/AgBF~4~-1","","","- C84 H60 Ag2 B2 Co2 F8 N18 -","- C42 H30 Ag B1.0015 Co F4.0015 N9 -","- C336 H240 Ag8 B8.012 Co8 F32.012 N72 -","8","2","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.1155","0.0857","","","0.2445","0.2628","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111128","15.7911","0.0014","25.454","0.002","16.3779","0.0014","90","","109.824","0.001","90","","6192.9","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","MOF-Co/AgSbF~6~-1","","","- C54.2 H43.2 Ag Co F6 N10 Sb -","- C54.2 H43.2 Ag Co F6 N10 Sb -","- C216.8 H172.8 Ag4 Co4 F24 N40 Sb4 -","4","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0802","0.0695","","","0.1902","0.1968","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111129","13.089","0.003","16.265","0.003","16.105","0.003","110.124","0.003","112.084","0.003","98.571","0.003","2826.3","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","MOF-Fe/AgPF~6~-1","","","- C58 H43.5 Ag F6 Fe N12.5 P -","- C58 H43.5 Ag F6 Fe N12.5 P -","- C116 H87 Ag2 F12 Fe2 N25 P2 -","2","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0683","0.0508","","","0.1347","0.1449","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111130","13.12","0.003","16.111","0.003","16.134","0.003","110.178","0.003","112.416","0.003","97.335","0.003","2824","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","MOF-Co/AgPF~6~-1","","","- C45 H33 Ag Co F6 N9 P -","- C45 H33 Ag Co F6 N9 P -","- C90 H66 Ag2 Co2 F12 N18 P2 -","2","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0739","0.0652","","","0.1765","0.1815","","","","","","1.072","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111131","25.322","0.005","25.322","0.005","14.746","0.006","90","","90","","120","","8188","4","150","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","Co(4-quindpm)~3~","","","- C54 H36 Co N9 -","- C54 H36 Co N9 -","- C324 H216 Co6 N54 -","6","0.333333","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0941","0.0732","","","0.2469","0.2615","","","","","","1.116","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111132","24.601","0.005","16.546","0.004","65.775","0.014","90","","90","","90","","26774","10","150","2","150","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","MOF-Fe/AgOTf-3","","","- C54 H36 Ag Fe N9 -","- C54 H36 Ag Fe N9 -","- C864 H576 Ag16 Fe16 N144 -","16","0.5","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.1132","0.0608","","","0.1638","0.1809","","","","","","0.756","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111133","25.335","0.008","25.335","0.008","14.613","0.009","90","","90","","120","","8123","6","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","Fe(quindpm)~3~","","","- C54 H36 Fe N9 -","- C54 H36 Fe N9 -","- C324 H216 Fe6 N54 -","6","0.333333","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0872","0.0759","","","0.2468","0.2563","","","","","","1.136","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111134","26.914","0.007","12.327","0.003","33.375","0.008","90","","90","","90","","11073","5","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","MOF-Co/AgOTf/BF~4~-1","","","- C42 H30 Ag B Co F4 N9 -","- C42 H30 Ag B Co F4 N9 -","- C336 H240 Ag8 B8 Co8 F32 N72 -","8","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.1575","0.0975","","","0.2579","0.2856","","","","","","1.045","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111135","26.847","0.002","12.6272","0.001","33.438","0.003","90","","90","","90","","11335.6","1.6","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","MOF-Co/AgOTF/PF~6~-1","","","- C42 H30 Ag Co F6 N9 P -","- C42 H30 Ag Co F6 N9 P -","- C336 H240 Ag8 Co8 F48 N72 P8 -","8","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0756","0.0514","","","0.1316","0.1396","","","","","","1.062","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111136","9.4031","0.0017","18.794","0.004","22.803","0.004","91.311","0.003","94.99","0.003","94.994","0.003","3997.4","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","MOF-Co/AgBF~4~-4","","","- C74 H51 Ag B Co F4 N10 -","- C74 H51 Ag B Co F4 N10 -","- C148 H102 Ag2 B2 Co2 F8 N20 -","2","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0843","0.0663","","","0.1713","0.179","","","","","","0.944","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111137","15.2681","0.0012","20.2619","0.0016","21.5668","0.0017","69.49","0.001","84.285","0.001","87.069","0.002","6217","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Co(44-pyrdpm)~3~","","","- C145 H113 Cl3 Co2 N18 -","- C145 H113 Cl3 Co2 N18 -","- C290 H226 Cl6 Co4 N36 -","2","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0989","0.0661","","","0.1666","0.181","","","","","","1.063","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111138","26.813","0.003","12.6035","0.0012","33.472","0.003","90","","90","","90","","11311.4","1.9","100","2","100","2","","","","","","","","9","P b c n","-P 2n 2ab","60","MOF-CoFe/AgOTf-1","","","- C86 H60 Ag2 Co F6 Fe N18 O6 S2 -","- C86 H60 Ag2 Co F6 Fe N18 O6 S2 -","- C344 H240 Ag8 Co4 F24 Fe4 N72 O24 S8 -","4","0.5","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0796","0.0718","","","0.1619","0.1647","","","","","","1.106","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111139","26.939","0.006","12.335","0.003","33.458","0.007","90","","90","","90","","11118","4","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","MOF-CoFe/AgBF~4~-1","","","- C84 H60 Ag2 B2 Co F8 Fe N18 -","- C84 H60 Ag2 B2 Co F8 Fe N18 -","- C336 H240 Ag8 B8 Co4 F32 Fe4 N72 -","4","0.5","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.1256","0.0738","","","0.188","0.209","","","","","","1.03","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111140","9.4026","0.0013","19.385","0.003","22.645","0.003","93.82","0.002","95.353","0.002","92.8","0.002","4094.1","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","MOF-Co/AgPF~6~-4","","","- C90 H66 Ag Co F6 N9 P -","- C90 H66 Ag Co F6 N9 P -","- C180 H132 Ag2 Co2 F12 N18 P2 -","2","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.1213","0.0845","","","0.221","0.2358","","","","","","1.043","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111141","9.3693","0.0009","19.3886","0.0019","22.869","0.002","94.659","0.002","94.855","0.002","91.655","0.002","4123.1","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","MOF-Co/AgOTf-4","","","- C93 H69 Ag Co F3 N10 O3 S -","- C93 H69 Ag Co F3 N10 O3 S -","- C186 H138 Ag2 Co2 F6 N20 O6 S2 -","2","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0569","0.0468","","","0.1188","0.123","","","","","","1.045","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111142","11.9791","0.0018","13.461","0.002","30.871","0.005","90","","90","","90","","4978","1.3","173","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","{[Me3NN]Cu}2(m-NAr)","","","- C54 H67 Cu2 N5 -","- C54 H67 Cu2 N5 -","- C216 H268 Cu8 N20 -","4","1","","Yosra M. Badiei; Ammani Krishnaswamy; Marie M. Melzer; Timothy H. Warren","Transient Terminal Cu-Nitrene Intermediates from Discrete Dicopper Nitrenes","Journal of the American Chemical Society","2006","128","","15056","15057","10.1021/ja065299l","","","0.71073","MoKα","","0.1128","0.0577","","","0.1189","0.1326","","","","","","1.01","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111143","18.653","0.01","12.512","0.004","15.179","0.005","90","","111.563","0.016","90","","3295","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Me3NN]Cu(ArN=PMe3)","","","- C34 H47 Cu N3 P -","- C34 H47 Cu N3 P -","- C136 H188 Cu4 N12 P4 -","4","1","","Yosra M. Badiei; Ammani Krishnaswamy; Marie M. Melzer; Timothy H. Warren","Transient Terminal Cu-Nitrene Intermediates from Discrete Dicopper Nitrenes","Journal of the American Chemical Society","2006","128","","15056","15057","10.1021/ja065299l","","","0.71073","MoKα","","0.0899","0.0484","","","0.1095","0.1197","","","","","","0.975","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111144","15.233","0.0016","13.7399","0.0014","25.621","0.003","90","","90","","90","","5362.5","1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[Me3NN]Cu(CNBut)","","","- C28 H38 Cu N3 -","- C28 H38 Cu N3 -","- C224 H304 Cu8 N24 -","8","1","","Yosra M. Badiei; Ammani Krishnaswamy; Marie M. Melzer; Timothy H. Warren","Transient Terminal Cu-Nitrene Intermediates from Discrete Dicopper Nitrenes","Journal of the American Chemical Society","2006","128","","15056","15057","10.1021/ja065299l","","","0.71073","MoKα","","0.0502","0.0329","","","0.0923","0.0991","","","","","","1.093","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111145","13.8297","0.0003","5.8719","0.0001","18.6094","0.0003","90","","92.9475","0.0009","90","","1509.21","0.05","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","2","","Claudio Palomo; Mikel Oiarbide; Rosa López; Pedro B. González; Enrique Gómez-Bengoa; José M. Saá; Anthony Linden","Intramolecular Sulfur Transfer in N-Enoyl Oxazolidine-2-thiones Promoted by Brønsted Acids. Practical Asymmetric Synthesis of β-Mercapto Carboxylic Acids and Mechanistic Insights","Journal of the American Chemical Society","2006","128","","15236","15247","10.1021/ja0654027","","","0.71073","MoKα","","0.0488","0.0359","","","0.078","0.0846","","","","","","1.042","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4111146","6.8389","0.0001","8.3595","0.0001","21.712","0.0003","90","","90","","90","","1241.27","0.03","160","1","160","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Cl N O2 S -","- C10 H16 Cl N O2 S -","- C40 H64 Cl4 N4 O8 S4 -","4","1","","Claudio Palomo; Mikel Oiarbide; Rosa López; Pedro B. González; Enrique Gómez-Bengoa; José M. Saá; Anthony Linden","Intramolecular Sulfur Transfer in N-Enoyl Oxazolidine-2-thiones Promoted by Brønsted Acids. Practical Asymmetric Synthesis of β-Mercapto Carboxylic Acids and Mechanistic Insights","Journal of the American Chemical Society","2006","128","","15236","15247","10.1021/ja0654027","","","0.71073","MoKα","","0.0483","0.0389","","0.0365","0.0359","0.0359","","","2.482","","","2.442","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111147","6.4393","0.0001","14.0592","0.0003","22.5672","0.0004","90","","90","","90","","2043.04","0.06","160","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O6 S -","- C20 H24 N2 O6 S -","- C80 H96 N8 O24 S4 -","4","1","","Claudio Palomo; Mikel Oiarbide; Rosa López; Pedro B. González; Enrique Gómez-Bengoa; José M. Saá; Anthony Linden","Intramolecular Sulfur Transfer in N-Enoyl Oxazolidine-2-thiones Promoted by Brønsted Acids. Practical Asymmetric Synthesis of β-Mercapto Carboxylic Acids and Mechanistic Insights","Journal of the American Chemical Society","2006","128","","15236","15247","10.1021/ja0654027","","","0.71073","MoKα","","0.0604","0.041","","","0.0886","0.0975","","","","","","1.057","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111148","17.127","0.003","18.127","0.003","22.045","0.003","87.057","0.003","67.666","0.003","70.904","0.003","5961.4","1.7","173","2","173","2","","","","","","","","3","P -1","-P 1","2","Toluene solvate of p-tBu-calix5arene","","","- C138 H172 O10 -","- C137 H156 O10 -","- C274 H312 O20 -","2","1","","Praveen K. Thallapally; Scott J. Dalgarno; Jerry L. Atwood","Frustrated Organic Solids Display Unexpected Gas Sorption","Journal of the American Chemical Society","2006","128","","15060","15061","10.1021/ja065499x","","","0.71073","MoKα","","0.1143","0.0788","","","0.218","0.2488","","","","","","1.043","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111149","12.78","0.003","25.035","0.006","15.34","0.004","90","","90","","90","","4908","2","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Sublimed p-tBu-calix5arene","","","- C27.5 H35 O2.5 -","- C27.505 H35.15 O2.5 -","- C220.04 H281.2 O20 -","8","1","","Praveen K. Thallapally; Scott J. Dalgarno; Jerry L. Atwood","Frustrated Organic Solids Display Unexpected Gas Sorption","Journal of the American Chemical Society","2006","128","","15060","15061","10.1021/ja065499x","","","0.71073","MoKα","","0.1874","0.0918","","","0.1675","0.2005","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111150","15.243","0.0009","17.3351","0.0011","15.0018","0.0009","90","","120.534","0.001","90","","3414.4","0.4","223","2","223","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C78 H92 Cd2 -","- C78 H96 Cd2 -","- C156 H192 Cd4 -","2","0.25","","Zhongliang Zhu; Roland C. Fischer; James C. Fettinger; Eric Rivard; Marcin Brynda; Philip P. Power","Synthesis, Structural Characterization, and Spectroscopy of the Cadmium-Cadmium Bonded Molecular Species Ar'CdCdAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2)","Journal of the American Chemical Society","2006","128","","15068","15069","10.1021/ja066108h","","","0.71073","MoKα","","0.0569","0.0363","","","0.0915","0.1018","","","","","","1.045","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111151","5.5625","0.0006","18.3979","0.0018","18.5522","0.0018","90","","90","","90","","1898.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br O4 -","- C21 H19 Br O4 -","- C84 H76 Br4 O16 -","4","1","","Ming He; Gerson J. Uc; Jeffrey W. Bode","Chiral N-Heterocyclic Carbene Catalyzed, Enantioselective Oxodiene Diels-Alder Reactions with Low Catalyst Loadings","Journal of the American Chemical Society","2006","128","","15088","15089","10.1021/ja066380r","","","0.71073","MoKα","","0.0959","0.0423","","","0.0929","0.1145","","","","","","1.003","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111152","4.1107","0.00004","11.7953","0.0001","18.6524","0.0002","90","","90","","90","","904.398","0.015","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","HBPSTMe","","","- C6 H4 N3 S2 Se2 -","- C6 H4 N3 S2 Se2 -","- C24 H16 N12 S8 Se8 -","4","1","","Jaclyn L. Brusso; Kristina Cvrkalj; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; Craig M. Robertson","Resonance Stabilized Bisdiselenazolyls as Neutral Radical Conductors","Journal of the American Chemical Society","2006","128","","15080","15081","10.1021/ja0666856","","","1.54178","CuKα","","0.0222","0.0213","","","0.0579","0.0586","","","","","","1.063","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111153","4.199","0.005","12.181","0.013","18.637","0.021","90","","90","","90","","953.2","1.9","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 N3 Se4 -","- C6 H4 N3 Se4 -","- C24 H16 N12 Se16 -","4","1","","Jaclyn L. Brusso; Kristina Cvrkalj; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; Craig M. Robertson","Resonance Stabilized Bisdiselenazolyls as Neutral Radical Conductors","Journal of the American Chemical Society","2006","128","","15080","15081","10.1021/ja0666856","powder diffraction","x-ray","1.54056","Kα~1~","","","","","","","","0.09425","","5022.95","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4111154","6.6268","0.0002","11.6519","0.0005","13.942","0.0006","90","","90","","90","","1076.53","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 O2 -","- C11 H18 O2 -","- C44 H72 O8 -","4","1","","Ryan M. Moslin; Timothy F. Jamison","Highly Convergent Total Synthesis of (+)-Acutiphycin","Journal of the American Chemical Society","2006","128","","15106","15107","10.1021/ja0670660","","","0.71073","MoKα","","0.0354","0.0343","","","0.0903","0.0921","","","","","","1.098","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111155","11.609","0.0006","16.6719","0.0009","24.1579","0.0014","90","","90","","90","","4675.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H72 O8 Si -","- C47 H72 O8 Si -","- C188 H288 O32 Si4 -","4","1","","Ryan M. Moslin; Timothy F. Jamison","Highly Convergent Total Synthesis of (+)-Acutiphycin","Journal of the American Chemical Society","2006","128","","15106","15107","10.1021/ja0670660","","","0.71073","MoKα","","0.0533","0.0464","","","0.1278","0.1352","","","","","","1.041","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111156","6.74156","0.00028","13.9904","0.0006","25.7097","0.0009","90","","90","","90","","2424.86","0.17","","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 N O4 -","- C28 H37 N O4 -","- C112 H148 N4 O16 -","4","1","","Eugene Y. Cheung; Kenneth D.M. Harris; Ting Kang; John R. Scheffer; James Trotter","Structure-Reactivity Correlations for Solid-State Enantioselective Photochemical Reactions Established Directly from Powder X-ray Diffraction","Journal of the American Chemical Society","2006","128","","15554","15555","10.1021/ja063706n","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","0.21019","","","","","","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111157","6.73624","0.00034","13.97","0.0011","25.6874","0.0013","90","","90","","90","","2417.3","0.3","","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 N O4 -","- C28 H37 N O4 -","- C112 H148 N4 O16 -","4","1","","Eugene Y. Cheung; Kenneth D.M. Harris; Ting Kang; John R. Scheffer; James Trotter","Structure-Reactivity Correlations for Solid-State Enantioselective Photochemical Reactions Established Directly from Powder X-ray Diffraction","Journal of the American Chemical Society","2006","128","","15554","15555","10.1021/ja063706n","powder diffraction","x-ray","1.54056","","","","","","","","","0.23624","","3.94","","","","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111158","14.1919","0.0008","6.4486","0.0004","24.4322","0.0015","90","","91.697","0.004","90","","2235","0.2","","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O3 -","- C26 H33 N O3 -","- C104 H132 N4 O12 -","4","2","","Eugene Y. Cheung; Kenneth D.M. Harris; Ting Kang; John R. Scheffer; James Trotter","Structure-Reactivity Correlations for Solid-State Enantioselective Photochemical Reactions Established Directly from Powder X-ray Diffraction","Journal of the American Chemical Society","2006","128","","15554","15555","10.1021/ja063706n","powder diffraction","x-ray","1.54056","","","","","","","","","0.33914","","5.15","","","","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111159","10.585","0.004","12.885","0.004","33.765","0.011","90","","98.928","0.004","90","","4549","3","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[LZn2La(OAc)3] 2CHCl3","","","- C36 H37 Cl6 La N4 O16 Zn2 -","- C36 H37 Cl6 La N4 O16 Zn2 -","- C144 H148 Cl24 La4 N16 O64 Zn8 -","4","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0807","0.072","","","0.1654","0.1703","","","","","","1.027","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111160","35.296","0.019","13.172","0.006","23.548","0.013","90","","121.983","0.006","90","","9286","8","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[LZn2Ce(OAc)3] 3MeOH CHCl3","","","- C38 H48 Ce Cl3 N4 O19 Zn2 -","- C38 H48 Ce Cl3 N4 O19 Zn2 -","- C304 H384 Ce8 Cl24 N32 O152 Zn16 -","8","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.125","0.0909","","","0.2238","0.2439","","","","","","1.073","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111161","35.42","0.02","13.147","0.008","23.595","0.015","90","","122.261","0.0017","90","","9291","10","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[LZn2Pr(OAc)3] 3MeOH CHCl3 0.25H2O","","","- C38 H48.5 Cl3 N4 O19.25 Pr Zn2 -","- C38 H48 Cl3 N4 O19.25 Pr Zn2 -","- C304 H384 Cl24 N32 O154 Pr8 Zn16 -","8","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0623","0.0488","","","0.1114","0.1186","","","","","","1.082","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111162","35.185","0.012","13.183","0.004","23.446","0.008","90","","121.928","0.0013","90","","9230","5","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[LZn2Nd(OAc)3] 3MeOH CHCl3 0.25H2O","","","- C38 H48.5 Cl3 N4 Nd O19.25 Zn2 -","- C38 H48 Cl3 N4 Nd O19.25 Zn2 -","- C304 H384 Cl24 N32 Nd8 O154 Zn16 -","8","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0463","0.04","","","0.1048","0.1089","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111163","35.331","0.016","13.172","0.006","23.515","0.011","90","","121.782","0.005","90","","9303","7","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[LZn2Sm(OAc)3] 3MeOH CHCl3","","","- C38 H48 Cl3 N4 O19 Sm Zn2 -","- C38 H48 Cl3 N4 O19 Sm Zn2 -","- C304 H384 Cl24 N32 O152 Sm8 Zn16 -","8","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0694","0.0567","","","0.1443","0.1518","","","","","","1.037","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111164","35.388","0.014","13.185","0.005","23.55","0.009","90","","121.86","0.004","90","","9333","6","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[LZn2Eu(OAc)3](MeOH)3(CHCl3)","","","- C38 H48 Cl3 Eu N4 O19 Zn2 -","- C38 H48 Cl3 Eu N4 O19 Zn2 -","- C304 H384 Cl24 Eu8 N32 O152 Zn16 -","8","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0611","0.051","","","0.1219","0.1271","","","","","","1.075","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111165","35.27","0.01","13.185","0.003","23.448","0.007","90","","121.68","0.0011","90","","9279","4","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[LZn2Gd(OAc)3] 2.8MeOH CHCl3 0.5H2O","","","- C37.8 H48.2 Cl3 Gd N4 O19.3 Zn2 -","- C37.8 H47.2 Cl3 Gd N4 O19.3 Zn2 -","- C302.4 H377.6 Cl24 Gd8 N32 O154.4 Zn16 -","8","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.059","0.0467","","","0.0924","0.0974","","","","","","1.116","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111166","12.948","0.009","13.222","0.008","13.435","0.008","73.867","0.019","83.2","0.02","86.92","0.02","2193","2","120","","120","","","","","","","","","6","P -1","-P 1","2","[LZn2Tb(OAc)3(MeOH)] (H2O)(Et2O)","","","- C39 H51 N4 O19 Tb Zn2 -","- C39 H51 N4 O19 Tb Zn2 -","- C78 H102 N8 O38 Tb2 Zn4 -","2","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0621","0.0546","","","0.135","0.1409","","","","","","1.071","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111167","13.019","0.007","13.279","0.006","13.444","0.007","74.158","0.012","83.194","0.014","87.2","0.016","2219.8","1.9","120","","120","","","","","","","","","6","P -1","-P 1","2","[LZn2Dy(OAc)3(MeOH)](H2O)(Et2O)","","","- C39 H51 Dy N4 O19 Zn2 -","- C39 H51 Dy N4 O19 Zn2 -","- C78 H102 Dy2 N8 O38 Zn4 -","2","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0522","0.0439","","","0.1085","0.1131","","","","","","1.036","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111168","13.0652","0.0009","13.2752","0.0008","13.4401","0.0007","74.31","0.003","83.016","0.002","87.0386","0.0019","2227.2","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","[LZn2Ho(OAc)3(MeOH)](H2O)(Et2O)","","","- C39 H51 Ho N4 O19 Zn2 -","- C39 H51 Ho N4 O19 Zn2 -","- C78 H102 Ho2 N8 O38 Zn4 -","2","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.05","0.0448","","","0.1174","0.1213","","","","","","1.037","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111169","13.027","0.006","13.282","0.006","13.479","0.006","74.017","0.012","83.078","0.014","86.972","0.014","2225.2","1.8","120","","120","","","","","","","","","6","P -1","-P 1","2","[LZn2Er(OAc)3(MeOH)](H2O)(Et2O)","","","- C39 H51 Er N4 O19 Zn2 -","- C39 H51 Er N4 O19 Zn2 -","- C78 H102 Er2 N8 O38 Zn4 -","2","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.05","0.0422","","","0.1059","0.1104","","","","","","1.03","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111170","13.6707","0.0012","15.3874","0.001","19.9724","0.0014","90","","94.805","0.002","90","","4186.6","0.5","180","","180","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[LZn2Tm(OAc)3(H2O)] CHCl3","","","- C35 H38 Cl3 N4 O17 Tm Zn2 -","- C35 H38 Cl3 N4 O17 Tm Zn2 -","- C140 H152 Cl12 N16 O68 Tm4 Zn8 -","4","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0674","0.0563","","","0.1382","0.1454","","","","","","1.055","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111171","13.646","0.003","15.274","0.003","19.81","0.004","90","","95.0519","0.0008","90","","4112.9","1.5","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[LZn2Yb(OAc)3(H2O)] CHCl3","","","- C35 H38 Cl3 N4 O17 Yb Zn2 -","- C35 H38 Cl3 N4 O17 Yb Zn2 -","- C140 H152 Cl12 N16 O68 Yb4 Zn8 -","4","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0467","0.0406","","","0.1078","0.1114","","","","","","1.054","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111172","13.675","0.008","15.847","0.008","18.766","0.01","90","","95.454","0.008","90","","4048","4","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[LZn2Lu(OAc)3(H2O)]","","","- C37 H43 Lu N4 O18 Zn2 -","- C37 H43 Lu N4 O18 Zn2 -","- C148 H172 Lu4 N16 O72 Zn8 -","4","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.1172","0.0893","","","0.2017","0.2168","","","","","","1.074","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111173","12.297","0.006","16.082","0.008","21.117","0.01","95.05","0.008","95.675","0.009","94.16","0.007","4126","3","120","","120","","","","","","","","","6","P -1","-P 1","2","[LZn2Sc(OAc)2](NO3)(MeOH)2(EtOH)","","","- C36 H46 N5 O20 Sc Zn2 -","- C36 H46 N5 O20 Sc Zn2 -","- C144 H184 N20 O80 Sc4 Zn8 -","4","2","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.1159","0.0778","","","0.1546","0.1702","","","","","","1.087","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111174","12.38","0.005","12.893","0.006","13.2","0.007","88.92","0.014","85.99","0.016","67.455","0.01","1941.1","1.6","120","","120","","","","","","","","","6","P -1","-P 1","2","[LZn2Y(OAc)2(NO3)(MeOH)](MeOH)","","","- C34 H40 N5 O19 Y Zn2 -","- C34 H40 N5 O19 Y Zn2 -","- C68 H80 N10 O38 Y2 Zn4 -","2","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0647","0.0504","","","0.1203","0.1274","","","","","","1.057","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111175","10.824","0.004","15.726","0.006","22.462","0.009","90","","92.693","0.006","90","","3819","3","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[LZn2Ca(MeOH)2](ClO4)2","","","- C30 H34 Ca Cl2 N4 O20 Zn2 -","- C30 H34 Ca Cl2 N4 O20 Zn2 -","- C120 H136 Ca4 Cl8 N16 O80 Zn8 -","4","0.5","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0434","0.0378","","","0.0874","0.0899","","","","","","1.057","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111176","11.991","0.002","12.906","0.003","14.366","0.004","67.548","0.005","72.491","0.007","84.174","0.009","1959.3","0.8","180","","180","","","","","","","","","7","P -1","-P 1","2","[LZn2Sr(OAc)2](CH2Cl2)","","","- C33 H34 Cl2 N4 O14 Sr Zn2 -","- C33 H34 Cl2 N4 O14 Sr Zn2 -","- C66 H68 Cl4 N8 O28 Sr2 Zn4 -","2","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0922","0.0667","","","0.1527","0.169","","","","","","1.051","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111177","13.1572","0.0005","13.8486","0.0012","15.78","0.0009","110.13","0.003","105.072","0.003","106.476","0.003","2375.8","0.3","180","","180","","","","","","","","","7","P -1","-P 1","2","LZn2Ba(Et2O)(CHCl3)0.5(H2O)1.5","","","- C36.5 H45.5 Ba Cl1.5 N4 O16.5 Zn2 -","- C36.5 H42.5 Ba Cl1.5 N4 O16.5 Zn2 -","- C73 H85 Ba2 Cl3 N8 O33 Zn4 -","2","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0871","0.0747","","","0.1928","0.2014","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111178","9.891","0.002","25.669","0.003","17.0297","0.001","90","","110.182","0.0007","90","","4058.2","1","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[LZn3(OAc)2(H2O)] acetone","","","- C35 H40 N4 O16 Zn3 -","- C35 H40 N4 O16 Zn3 -","- C140 H160 N16 O64 Zn12 -","4","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.1564","0.0644","","","0.104","0.1325","","","","","","0.971","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111179","12.2709","0.0006","12.4998","0.0008","14.6676","0.0007","95.04","0.002","104.269","0.0011","112.428","0.0006","1973.47","0.19","120","","120","","","","","","","","","5","P -1","-P 1","2","[LZn3(OAc)2(H2O)] 2acetone","","","- C36 H42 N4 O15 Zn3 -","- C36 H42 N4 O15 Zn3 -","- C72 H84 N8 O30 Zn6 -","2","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0351","0.0287","","","0.0743","0.0769","","","","","","1.033","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111180","23.42","0.02","14.925","0.009","15.2","0.01","90","","128.983","0.009","90","","4130","5","253.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 N9 O3 -","- C21 H15 N9 O3 -","- C168 H120 N72 O24 -","8","1","","Shigeyuki Masaoka; Daisuke Tanaka; Hiroyuki Kitahata; Sumiko Araki; Ryotaro Matsuda; Kenichi Yoshikawa; Kenichi Kato; Masaki Takata; Susumu Kitagawa","Chemical Reaction-Inspired Crystal Growth of a Coordination Polymer toward Morphology Design and Control","Journal of the American Chemical Society","2006","128","","15799","15808","10.1021/ja065254k","","","0.7107","MoKα","","","0.0785","","","","0.1204","","","","","","1.304","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111181","17.512","0.0005","17.512","0.0005","28.1203","0.0012","90","","90","","90","","8623.7","0.5","200","2","200","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C42 H52 F5 N Ni P2 -","- C42 H52 F5 N Ni P2 -","- C336 H416 F40 N8 Ni8 P16 -","8","0.5","","Lan-Chang Liang; Pin-Shu Chien; Yu-Lun Huang","Intermolecular Arene C-H Activation by Nickel(II)","Journal of the American Chemical Society","2006","128","","15562","15563","10.1021/ja065505p","","","0.71073","MoKα","","0.0776","0.065","","","0.1793","0.1949","","","","","","0.828","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111182","9.1208","0.0004","16.66","0.0007","19.7408","0.0009","90","","93.678","0.002","90","","2993.5","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H43 N Ni P2 -","- C31 H43 N Ni P2 -","- C124 H172 N4 Ni4 P8 -","4","1","","Lan-Chang Liang; Pin-Shu Chien; Yu-Lun Huang","Intermolecular Arene C-H Activation by Nickel(II)","Journal of the American Chemical Society","2006","128","","15562","15563","10.1021/ja065505p","","","0.71073","MoKα","","0.1855","0.0926","","","0.201","0.2719","","","","","","1.065","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111183","12.6618","0.0018","10.2967","0.0015","18.735","0.003","90","","108.108","0.002","90","","2321.6","0.6","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H80 Cl2 O8 P4 Ru -","- C36 H80 Cl2 O8 P4 Ru -","- C72 H160 Cl4 O16 P8 Ru2 -","2","0.5","","Nathaniel K. Szymczak; Lev N. Zakharov; David R. Tyler","Solution Chemistry of a Water-Soluble η2-H2 Ruthenium Complex: Evidence for Coordinated H2 Acting as a Hydrogen Bond Donor","Journal of the American Chemical Society","2006","128","","15830","15835","10.1021/ja065532f","","","0.71073","MoKα","","0.0802","0.0611","","","0.1482","0.1602","","","","","","1.053","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111184","11.3593","0.0011","9.6066","0.0009","12.1731","0.0012","90","","109.728","0.002","90","","1250.4","0.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H35 N O3 -","- C30 H35 N O3 -","- C60 H70 N2 O6 -","2","1","","Robert B. Lettan; Troy E. Reynolds; Chris V. Galliford; Karl A. Scheidt","Synthesis of Tertiary β-Hydroxy Amides by Enolate Additions to Acylsilanes","Journal of the American Chemical Society","2006","128","","15566","15567","10.1021/ja065605v","","","0.71073","MoKα","","0.0427","0.0394","","","0.1054","0.109","","","","","","1.038","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111185","3.8941","0.0013","14.334","0.005","16.551","0.005","72.458","0.005","88.886","0.005","84.169","0.006","876.3","0.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H8 S6 -","- C22 H8 S6 -","- C44 H16 S12 -","2","1","","Alejandro L. Briseno; Qian Miao; Mang-Mang Ling; Colin Reese; Hong Meng; Zhenan Bao; Fred Wudl","Hexathiapentacene: Structure, Molecular Packing, and Thin-Film Transistors","Journal of the American Chemical Society","2006","128","","15576","15577","10.1021/ja066088j","","","0.71073","MoKα","","0.0732","0.0499","","","0.1208","0.1369","","","","","","1","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111186","14.3327","0.0001","16.482","0.0002","7.28","0.0001","90","","90","","90","","1719.77","0.03","300","","300","","","","","","","","","5","P n a m","-P 2c 2n","62","Bis(acetonitrile)tetracyanoethanide(1-)iron(II) tetrachloroferrate(III)","","","- C10 H6 Cl4 Fe2 N6 -","- C5 H3 Cl2 Fe N3 -","- C40 H24 Cl16 Fe8 N24 -","8","1","","Konstantin I. Pokhodnya; Michael Bonner; Jae-Hyuk Her; Peter W. Stephens; Joel S. Miller","Magnetic Ordering (Tc= 90 K) Observed for Layered [FeII(TCNE.-)(NCMe)2]+[FeIIICl4]- (TCNE = Tetracyanoethylene)","Journal of the American Chemical Society","2006","128","","15592","15593","10.1021/ja066744f","powder diffraction","","0.690779","","","","","","","","","","0.012","1.277","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111187","38.958","0.006","10.1794","0.0014","18.833","0.003","90","","113.247","0.0005","90","","6862.2","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C83 H75 B2 Cl3 N2 -","- C83 H74 B2 Cl3 N2 -","- C332 H296 B8 Cl12 N8 -","4","0.5","","Cui-Hua Zhao; Atsushi Wakamiya; Yuko Inukai; Shigehiro Yamaguchi","Highly Emissive Organic Solids Containing 2,5-Diboryl-1,4-phenylene Unit","Journal of the American Chemical Society","2006","128","","15934","15935","10.1021/ja0637550","","","0.7107","MoKα","","0.0747","0.0614","","","0.1496","0.16","","","","","","1.119","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111188","32.069","0.004","10.2951","0.0009","24.3702","0.0018","90","","129.23","0.02","90","","6232","2","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis-{1,3-di(isopropyl)-imidazol-2-ylidene}(heptafluorotolyl)(fluoro)nickel(II)","","- C27 H37 F8 N4 Ni O0.5 -","- C27 H37 F8 N4 Ni O0.5 -","- C216 H296 F64 N32 Ni8 O4 -","8","1","","Thomas Schaub; Marc Backes; Udo Radius","Catalytic C-C Bond Formation Accomplished by Selective C-F Activation of Perfluorinated Arenes","Journal of the American Chemical Society","2006","128","","15964","15965","10.1021/ja064068b","","","0.71073","MoKα","","0.1311","0.0659","","","0.142","0.1702","","","","","","0.961","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111189","5.858","0.0012","23.938","0.005","7.8425","0.0016","90","","90","","90","","1099.7","0.4","203","2","203","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","4-trifluoromethyl-2,3,5,6-tetrafluoro-biphenyl","","- C6.5 H2.5 F3.5 -","- C6.5 H2.5 F3.5 -","- C52 H20 F28 -","8","1","","Thomas Schaub; Marc Backes; Udo Radius","Catalytic C-C Bond Formation Accomplished by Selective C-F Activation of Perfluorinated Arenes","Journal of the American Chemical Society","2006","128","","15964","15965","10.1021/ja064068b","","","0.71073","MoKα","","0.0463","0.0316","","","0.0677","0.0739","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111190","7.899","0.007","8.782","0.007","8.98","0.008","84.7","0.02","81.32","0.02","82.5","0.02","608.9","0.9","293.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl2 Co N6 O2 -","- C24 H22 Cl2 Co N6 O2 -","- C24 H22 Cl2 Co N6 O2 -","1","0.5","","Kazuhiro Uemura; Kazuya Saito; Susumu Kitagawa; Hidetoshi Kita","Hydrogen-Bonded Porous Coordination Polymers: Structural Transformation, Sorption Properties, and Particle Size from Kinetic Studies","Journal of the American Chemical Society","2006","128","","16122","16130","10.1021/ja064152r","","","0.7107","MoKα","","","0.041","","","","0.1833","","","","","","1.691","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111191","11.371","0.002","10.063","0.001","15.5356","0.0004","90","","104.639","0.0007","90","","1720","0.4","293.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Co N8 O4 S2 -","- C32 H22 Co N8 O4 S2 -","- C64 H44 Co2 N16 O8 S4 -","2","0.5","","Kazuhiro Uemura; Kazuya Saito; Susumu Kitagawa; Hidetoshi Kita","Hydrogen-Bonded Porous Coordination Polymers: Structural Transformation, Sorption Properties, and Particle Size from Kinetic Studies","Journal of the American Chemical Society","2006","128","","16122","16130","10.1021/ja064152r","","","0.7107","MoKα","","","0.0652","","","","0.2253","","","","","","1.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111192","8.072","0.0007","9.76","0.001","11.26","0.001","107.235","0.005","104.6","0.006","101.293","0.003","784","0.13","213.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Co N8 O12 -","- C26 H28 Co N8 O12 -","- C26 H28 Co N8 O12 -","1","0.5","","Kazuhiro Uemura; Kazuya Saito; Susumu Kitagawa; Hidetoshi Kita","Hydrogen-Bonded Porous Coordination Polymers: Structural Transformation, Sorption Properties, and Particle Size from Kinetic Studies","Journal of the American Chemical Society","2006","128","","16122","16130","10.1021/ja064152r","","","0.7107","MoKα","","","0.0505","","","","0.193","","","","","","1.901","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111193","9.1676","0.0002","17.2652","0.0004","9.5031","0.0002","90","","99.498","0.001","90","","1483.54","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","Rabih O. Al-Kaysi; Astrid M. Müller; Christopher J. Bardeen","Photochemically Driven Shape Changes of Crystalline Organic Nanorods","Journal of the American Chemical Society","2006","128","","15938","15939","10.1021/ja064535p","","","0.71073","MoKα","","0.0566","0.0426","","","0.1179","0.1266","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111194","39.156","0.001","14.1598","0.0004","11.7448","0.0003","90","","90","","90","","6511.8","0.3","100","2","100","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C39 H38.24 Cl1.76 O4.12 -","- C38.9999 H38.2416 Cl1.758 O4.1209 -","- C311.999 H305.933 Cl14.064 O32.9672 -","8","1","","Rabih O. Al-Kaysi; Astrid M. Müller; Christopher J. Bardeen","Photochemically Driven Shape Changes of Crystalline Organic Nanorods","Journal of the American Chemical Society","2006","128","","15938","15939","10.1021/ja064535p","","","0.71073","MoKα","","0.0714","0.0463","","","0.1228","0.1374","","","","","","1.035","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111195","16.6276","0.0013","17.0288","0.0014","17.8646","0.0015","100.294","0.001","103.371","0.001","92.617","0.002","4822","0.7","163","2","163","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H80 La2 -","- C51 H80 La2 -","- C204 H320 La8 -","4","2","","William J. Evans; Timothy M. Champagne; Joseph W. Ziller; Nikolas Kaltsoyannis","Planar Trimethylenemethane Dianion Chemistry of Lanthanide Metallocenes: Synthesis, Structure, Density Functional Theory Analysis, and Reactivity of [(C5Me5)2Ln]2[μ-η3:η3-C(CH2)3] Complexes","Journal of the American Chemical Society","2006","128","","16178","16189","10.1021/ja0645988","","","0.71073","MoKα","","0.0744","0.0402","","","0.0886","0.1027","","","","","","1.033","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111196","16.585","0.003","16.933","0.003","17.79","0.003","100.103","0.003","103.126","0.003","92.613","0.003","4771","1.5","168","2","168","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H80 Pr2 -","- C51 H80 Pr2 -","- C204 H320 Pr8 -","4","2","","William J. Evans; Timothy M. Champagne; Joseph W. Ziller; Nikolas Kaltsoyannis","Planar Trimethylenemethane Dianion Chemistry of Lanthanide Metallocenes: Synthesis, Structure, Density Functional Theory Analysis, and Reactivity of [(C5Me5)2Ln]2[μ-η3:η3-C(CH2)3] Complexes","Journal of the American Chemical Society","2006","128","","16178","16189","10.1021/ja0645988","","","0.71073","MoKα","","0.0986","0.0459","","","0.092","0.1114","","","","","","1.035","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111197","11.3111","0.0014","21.971","0.003","19.583","0.003","90","","99.897","0.003","90","","4794.3","1.1","158","2","158","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C51 H80 Nd2 -","- C51 H80 Nd2 -","- C204 H320 Nd8 -","4","1","","William J. Evans; Timothy M. Champagne; Joseph W. Ziller; Nikolas Kaltsoyannis","Planar Trimethylenemethane Dianion Chemistry of Lanthanide Metallocenes: Synthesis, Structure, Density Functional Theory Analysis, and Reactivity of [(C5Me5)2Ln]2[μ-η3:η3-C(CH2)3] Complexes","Journal of the American Chemical Society","2006","128","","16178","16189","10.1021/ja0645988","","","0.71073","MoKα","","0.0765","0.0441","","","0.0959","0.1144","","","","","","1.045","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111198","10.9985","0.0016","14.343","0.002","15.421","0.002","78.893","0.003","74.856","0.003","76.397","0.002","2259.9","0.5","163","2","163","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H78 Y2 -","- C50 H78 Y2 -","- C100 H156 Y4 -","2","1","","William J. Evans; Timothy M. Champagne; Joseph W. Ziller; Nikolas Kaltsoyannis","Planar Trimethylenemethane Dianion Chemistry of Lanthanide Metallocenes: Synthesis, Structure, Density Functional Theory Analysis, and Reactivity of [(C5Me5)2Ln]2[μ-η3:η3-C(CH2)3] Complexes","Journal of the American Chemical Society","2006","128","","16178","16189","10.1021/ja0645988","","","0.71073","MoKα","","0.0683","0.0512","","","0.152","0.1656","","","","","","1.052","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111199","18.4167","0.0016","21.6057","0.0018","35.253","0.003","90","","105.023","0.002","90","","13548","2","158","2","158","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76 H100 O2 Sm2 -","- C76 H100 O2 Sm2 -","- C608 H800 O16 Sm16 -","8","2","","William J. Evans; Timothy M. Champagne; Joseph W. Ziller; Nikolas Kaltsoyannis","Planar Trimethylenemethane Dianion Chemistry of Lanthanide Metallocenes: Synthesis, Structure, Density Functional Theory Analysis, and Reactivity of [(C5Me5)2Ln]2[μ-η3:η3-C(CH2)3] Complexes","Journal of the American Chemical Society","2006","128","","16178","16189","10.1021/ja0645988","","","0.71073","MoKα","","0.0708","0.0434","","","0.1098","0.1283","","","","","","1.064","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111200","10.642","0.002","10.657","0.002","13.974","0.003","103.89","0.003","105.111","0.003","90.892","0.003","1480.1","0.5","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H30 N2 -","- C40 H30 N2 -","- C80 H60 N4 -","2","1","","Yabin Song; Chong'an Di; Xiaodi Yang; Shouping Li; Wei Xu; Yunqi Liu; Lianming Yang; Zhigang Shuai; Deqing Zhang; Daoben Zhu","A Cyclic Triphenylamine Dimer for Organic Field-Effect Transistors with High Performance","Journal of the American Chemical Society","2006","128","","15940","15941","10.1021/ja064726s","","","0.71073","MoKα","","0.0734","0.0458","","","0.1127","0.1343","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111201","13.76","0.006","14.269","0.006","16.488","0.007","90","","90","","90","","3237","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H16 N4 O5 S -","- C15 H16 N4 O5 S -","- C120 H128 N32 O40 S8 -","8","1","","Cheol-Min Park; Tetsuro Oie; Andrew M. Petros; Haichao Zhang; Paul M. Nimmer; Rodger F. Henry; Steven W. Elmore","Design, Synthesis, and Computational Studies of Inhibitors of Bcl-XL","Journal of the American Chemical Society","2006","128","","16206","16212","10.1021/ja0650347","","","0.71073","MoKα","","0.045","0.041","","","0.1153","0.1181","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111202","8.455","0.009","17.191","0.018","10.498","0.011","90","","101.633","0.018","90","","1495","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O5 S -","- C14 H14 N4 O5 S -","- C56 H56 N16 O20 S4 -","4","1","","Cheol-Min Park; Tetsuro Oie; Andrew M. Petros; Haichao Zhang; Paul M. Nimmer; Rodger F. Henry; Steven W. Elmore","Design, Synthesis, and Computational Studies of Inhibitors of Bcl-XL","Journal of the American Chemical Society","2006","128","","16206","16212","10.1021/ja0650347","","","0.71073","MoKα","","0.0821","0.064","","","0.1361","0.1438","","","","","","1.105","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111203","15.677","0.005","13.127","0.004","8.019","0.002","90","","95.39","0.006","90","","1642.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O5 S -","- C14 H14 N4 O5 S -","- C56 H56 N16 O20 S4 -","4","1","","Cheol-Min Park; Tetsuro Oie; Andrew M. Petros; Haichao Zhang; Paul M. Nimmer; Rodger F. Henry; Steven W. Elmore","Design, Synthesis, and Computational Studies of Inhibitors of Bcl-XL","Journal of the American Chemical Society","2006","128","","16206","16212","10.1021/ja0650347","","","0.71073","MoKα","","0.2482","0.0858","","","0.1546","0.2351","","","","","","0.945","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111204","15.722","0.001","13.153","0.0008","8.0242","0.0005","90","","95.403","0.004","90","","1651.96","0.18","","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O5 S -","- C14 H12 N4 O5 S -","- C56 H48 N16 O20 S4 -","4","1","","Cheol-Min Park; Tetsuro Oie; Andrew M. Petros; Haichao Zhang; Paul M. Nimmer; Rodger F. Henry; Steven W. Elmore","Design, Synthesis, and Computational Studies of Inhibitors of Bcl-XL","Journal of the American Chemical Society","2006","128","","16206","16212","10.1021/ja0650347","powder diffraction","","1.5418","CuKα","","","","","","","","","0.053","1.3","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111205","16.2805","0.0014","11.5155","0.001","14.393","0.0013","90","","90","","90","","2698.4","0.4","110","2","110","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H22 B6 Fe Ir O5 P -","- C24 H22 B6 Fe Ir O5 P -","- C96 H88 B24 Fe4 Ir4 O20 P4 -","4","1","","Andreas Franken; Thomas D. McGrath; F. Gordon A. Stone","Iridium-Iron-Monocarborane Clusters from Oxidative Insertion Reactions of [IrCl(CO)(PPh~3~)~2~] with Ferracarborane Anions","Journal of the American Chemical Society","2006","128","","16169","16177","10.1021/ja065042n","","","0.71073","MoKα","","0.0736","0.0434","","","0.0623","0.0709","","","","","","0.942","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111206","23.4241","0.0007","10.3614","0.0003","19.1827","0.0005","90","","98.371","0.001","90","","4606.2","0.2","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41.5 H39 B7 Cl Fe Ir O5 P2 -","- C41.5 H39 B7 Cl Fe Ir O5 P2 -","- C166 H156 B28 Cl4 Fe4 Ir4 O20 P8 -","4","1","","Andreas Franken; Thomas D. McGrath; F. Gordon A. Stone","Iridium-Iron-Monocarborane Clusters from Oxidative Insertion Reactions of [IrCl(CO)(PPh~3~)~2~] with Ferracarborane Anions","Journal of the American Chemical Society","2006","128","","16169","16177","10.1021/ja065042n","","","0.71073","MoKα","","0.0809","0.0465","","","0.0987","0.112","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111207","15.2841","0.0017","11.619","0.0013","31.968","0.004","90","","100.724","0.005","90","","5577.9","1.1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H53 B6 Fe Ir2 O4 P3 -","- C59 H53 B6 Fe Ir2 O4 P3 -","- C236 H212 B24 Fe4 Ir8 O16 P12 -","4","1","","Andreas Franken; Thomas D. McGrath; F. Gordon A. Stone","Iridium-Iron-Monocarborane Clusters from Oxidative Insertion Reactions of [IrCl(CO)(PPh~3~)~2~] with Ferracarborane Anions","Journal of the American Chemical Society","2006","128","","16169","16177","10.1021/ja065042n","","","0.71073","MoKα","","0.051","0.0317","","","0.0521","0.0568","","","","","","1.011","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111208","10.7087","0.0007","15.2385","0.001","16.2322","0.0012","72.062","0.004","82.995","0.004","82.308","0.003","2488.2","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H50 B7 Fe2 Ir O6 P2 -","- C48 H50 B7 Fe2 Ir O6 P2 -","- C96 H100 B14 Fe4 Ir2 O12 P4 -","2","1","","Andreas Franken; Thomas D. McGrath; F. Gordon A. Stone","Iridium-Iron-Monocarborane Clusters from Oxidative Insertion Reactions of [IrCl(CO)(PPh~3~)~2~] with Ferracarborane Anions","Journal of the American Chemical Society","2006","128","","16169","16177","10.1021/ja065042n","","","0.71073","MoKα","","0.077","0.0461","","","0.0739","0.0827","","","","","","0.995","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111209","8.8989","0.0009","10.8924","0.001","16.6302","0.0015","105.488","0.003","93.845","0.004","96.441","0.004","1535.7","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23 B7 Fe2 Ir O7 P -","- C26 H23 B7 Fe2 Ir O7 P -","- C52 H46 B14 Fe4 Ir2 O14 P2 -","2","1","","Andreas Franken; Thomas D. McGrath; F. Gordon A. Stone","Iridium-Iron-Monocarborane Clusters from Oxidative Insertion Reactions of [IrCl(CO)(PPh~3~)~2~] with Ferracarborane Anions","Journal of the American Chemical Society","2006","128","","16169","16177","10.1021/ja065042n","","","0.71073","MoKα","","0.0378","0.0308","","","0.0725","0.0764","","","","","","1.045","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111210","10.3944","0.0003","18.816","0.0006","21.2227","0.0006","90","","91.146","0.001","90","","4149.9","0.2","110","2","110","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C40.5 H41 B6 Cl Fe Ir N2 O3 P -","- C40.5 H41 B6 Cl Fe Ir N2 O3 P -","- C162 H164 B24 Cl4 Fe4 Ir4 N8 O12 P4 -","4","1","","Andreas Franken; Thomas D. McGrath; F. Gordon A. Stone","Iridium-Iron-Monocarborane Clusters from Oxidative Insertion Reactions of [IrCl(CO)(PPh~3~)~2~] with Ferracarborane Anions","Journal of the American Chemical Society","2006","128","","16169","16177","10.1021/ja065042n","","","0.71073","MoKα","","0.0735","0.0416","","","0.0698","0.0806","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111211","22.865","0.0018","18.6091","0.0014","29.1411","0.0019","90","","90","","90","","12399.5","1.6","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C63 H66 B7 Fe2 Ir N2 O5 P2 -","- C63 H66 B7 Fe2 Ir N2 O5 P2 -","- C504 H528 B56 Fe16 Ir8 N16 O40 P16 -","8","1","","Andreas Franken; Thomas D. McGrath; F. Gordon A. Stone","Iridium-Iron-Monocarborane Clusters from Oxidative Insertion Reactions of [IrCl(CO)(PPh~3~)~2~] with Ferracarborane Anions","Journal of the American Chemical Society","2006","128","","16169","16177","10.1021/ja065042n","","","0.71073","MoKα","","0.0839","0.0398","","","0.0649","0.0783","","","","","","1.019","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111212","19.035","0.003","9.295","0.0015","17.598","0.003","90","","116.169","0.013","90","","2794.5","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Br2 Cu2 N6 -","- C26 H28 Br2 Cu2 N6 -","- C104 H112 Br8 Cu8 N24 -","4","0.5","","Huadong Tang; Navamoney Arulsamy; Maciej Radosz; Youqing Shen; Nicolay V. Tsarevsky; Wade A. Braunecker; Wei Tang; Krzysztof Matyjaszewski","Highly Active Copper-Based Catalyst for Atom Transfer Radical Polymerization","Journal of the American Chemical Society","2006","128","","16277","16285","10.1021/ja0653369","","","0.71073","MoKα","","0.1443","0.0709","","","0.1609","0.2008","","","","","","1.015","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111213","13.566","0.003","15.149","0.002","14.131","0.002","90","","118.209","0.013","90","","2559.2","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Br2 Cu N6 -","- C26 H28 Br2 Cu N6 -","- C104 H112 Br8 Cu4 N24 -","4","1","","Huadong Tang; Navamoney Arulsamy; Maciej Radosz; Youqing Shen; Nicolay V. Tsarevsky; Wade A. Braunecker; Wei Tang; Krzysztof Matyjaszewski","Highly Active Copper-Based Catalyst for Atom Transfer Radical Polymerization","Journal of the American Chemical Society","2006","128","","16277","16285","10.1021/ja0653369","","","0.71073","MoKα","","0.1215","0.056","","","0.1265","0.1562","","","","","","0.989","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111214","12.62","0.0016","9.711","0.001","15.3682","0.0019","90","","99.605","0.015","90","","1857","0.4","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N2 O5 Re -","- C6 H7 N2 O5 Re -","- C48 H56 N16 O40 Re8 -","8","2","","Yu Liu; Jae Kyoung Pak; Paul Schmutz; Matthias Bauwens; John Mertens; Hector Knight; Roger Alberto","Amino Acids Labeled with [99mTc(CO)3]+ and Recognized by thel-type Amino Acid Transporter LAT1","Journal of the American Chemical Society","2006","128","","15996","15997","10.1021/ja066002m","","","0.71073","MoKα","","0.0651","0.0567","","","0.1366","0.1411","","","","","","0.997","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111215","17.0086","0.001","44.661","0.003","23.0053","0.0013","90","","104.252","0.002","90","","16937.5","1.8","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C172 H142 Cl2 N10 O4 P4 Rh2 S4 Zn2 -","- C173 H140 Cl2 N10 O3 P4 Rh2 S4 Zn2 -","- C692 H560 Cl8 N40 O12 P16 Rh8 S16 Zn8 -","4","0.5","","Christopher G. Oliveri; Nathan C. Gianneschi; SonBinh T. Nguyen; Chad A. Mirkin; Charlotte L. Stern; Zdzislaw Wawrzak; Maren Pink","Supramolecular Allosteric Cofacial Porphyrin Complexes","Journal of the American Chemical Society","2006","128","","16286","16296","10.1021/ja0661010","","","0.48595","SyKα","","0.1199","0.0937","","","0.2816","0.3081","","","","","","1.063","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4111216","13.127","0.009","16.349","0.008","22.544","0.012","97.501","0.006","96.354","0.014","100.273","0.01","4675","5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C87 H68 Cl2 Cu N7 O2 P2 Zn -","- C87 H68 Cl2 Cu N7 O2 P2 Zn -","- C174 H136 Cl4 Cu2 N14 O4 P4 Zn2 -","2","1","","Christopher G. Oliveri; Nathan C. Gianneschi; SonBinh T. Nguyen; Chad A. Mirkin; Charlotte L. Stern; Zdzislaw Wawrzak; Maren Pink","Supramolecular Allosteric Cofacial Porphyrin Complexes","Journal of the American Chemical Society","2006","128","","16286","16296","10.1021/ja0661010","","","0.71","MoKα","","0.1563","0.1089","","","0.2624","0.2787","","","","","","0.974","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111217","13.283","0.003","17.34","0.004","22.33","0.005","89.34","0.03","89.58","0.03","73.3","0.03","4926","2","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C87 H78 Cl2 Cu N7 P2 S2 Zn -","- C87 H78 Cl2 Cu N7 P2 S2 Zn -","- C174 H156 Cl4 Cu2 N14 P4 S4 Zn2 -","2","1","","Christopher G. Oliveri; Nathan C. Gianneschi; SonBinh T. Nguyen; Chad A. Mirkin; Charlotte L. Stern; Zdzislaw Wawrzak; Maren Pink","Supramolecular Allosteric Cofacial Porphyrin Complexes","Journal of the American Chemical Society","2006","128","","16286","16296","10.1021/ja0661010","","","0.71073","MoKα","","0.1562","0.091","","","0.2107","0.2311","","","","","","0.863","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111218","13.9395","0.0013","17.1623","0.0017","20.894","0.002","83.044","0.002","73.368","0.002","74.25","0.002","4604.5","0.8","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C181 H166 Cl4 N12 O8 P4 Rh2 Zn2 -","- C173 H146 Cl4 N10 O8 P4 Rh2 Zn2 -","- C173 H146 Cl4 N10 O8 P4 Rh2 Zn2 -","1","0.5","","Christopher G. Oliveri; Nathan C. Gianneschi; SonBinh T. Nguyen; Chad A. Mirkin; Charlotte L. Stern; Zdzislaw Wawrzak; Maren Pink","Supramolecular Allosteric Cofacial Porphyrin Complexes","Journal of the American Chemical Society","2006","128","","16286","16296","10.1021/ja0661010","","","0.71073","MoKα","","0.1924","0.091","","","0.2301","0.2591","","","","","","0.912","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4111219","11.2558","0.0011","14.5191","0.0017","21.579","0.002","99.54","0.002","91.222","0.004","110.178","0.002","3252.6","0.6","243","2","243","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H86 O4 W -","- C72 H74 O4 W -","- C144 H148 O8 W2 -","2","1","","Daniela Buccella; Gerard Parkin","p-tert-Butylcalix[4]arene Complexes of Molybdenum and Tungsten: Reactivity of the Calixarene Methylene CH Bond and the Facile Migration of the Metal around the Phenolic Rim of the Calixarene","Journal of the American Chemical Society","2006","128","","16358","16364","10.1021/ja066457b","","","0.71073","MoKα","","0.1585","0.0768","","","0.1555","0.1751","","","","","","1.03","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111220","13.0107","0.0006","13.963","0.0006","18.9093","0.0009","85.017","0.001","74.521","0.001","67.578","0.001","3059.9","0.2","243","2","243","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H92 O4 P3 W -","- C62 H92 O4 P3 W -","- C124 H184 O8 P6 W2 -","2","1","","Daniela Buccella; Gerard Parkin","p-tert-Butylcalix[4]arene Complexes of Molybdenum and Tungsten: Reactivity of the Calixarene Methylene CH Bond and the Facile Migration of the Metal around the Phenolic Rim of the Calixarene","Journal of the American Chemical Society","2006","128","","16358","16364","10.1021/ja066457b","","","0.71073","MoKα","","0.0593","0.0382","","","0.0686","0.0764","","","","","","1.051","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111221","13.0416","0.001","14.1131","0.001","19.0193","0.0014","86.228","0.002","74.798","0.002","65.808","0.002","3078","0.4","243","2","243","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H92 Mo O4 P3 -","- C62 H92 Mo O4 P3 -","- C124 H184 Mo2 O8 P6 -","2","1","","Daniela Buccella; Gerard Parkin","p-tert-Butylcalix[4]arene Complexes of Molybdenum and Tungsten: Reactivity of the Calixarene Methylene CH Bond and the Facile Migration of the Metal around the Phenolic Rim of the Calixarene","Journal of the American Chemical Society","2006","128","","16358","16364","10.1021/ja066457b","","","0.71073","MoKα","","0.0879","0.0486","","","0.1051","0.118","","","","","","1.031","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111222","12.073","0.004","13.341","0.004","23.989","0.003","90","","90","","90","","3863.8","1.8","140","2","140","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C47 H36 Br2 O4 -","- C47 H36 Br2 O4 -","- C188 H144 Br8 O16 -","4","0.5","","Manfred Schlosser; Frédéric Bailly","Embedding an Allylmetal Dimer in a Chiral Cavity: The Unprecedented Stereoselectivity of a Twofold Wittig [1,2]-Rearrangement","Journal of the American Chemical Society","2006","128","","16042","16043","10.1021/ja066462f","","","0.7107","MoKα","","0.0697","0.0482","","","0.1196","0.1322","","","","","","1.144","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111223","24.903","0.012","12.723","0.005","19.434","0.009","90","","106.001","0.012","90","","5919","5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H82 Mo2 N6 -","- C67 H82 Mo2 N6 -","- C268 H328 Mo8 N24 -","4","1","","A. S. Hock; Richard R. Schrock; Amir H. Hoveyda","Dipyrrolyl Precursors to Bisalkoxide Molybdenum Olefin Metathesis Catalysts","Journal of the American Chemical Society","2006","128","","16373","16375","10.1021/ja0665904","","","0.71073","MoKα","","0.0753","0.0412","","","0.0775","0.0901","","","","","","1.013","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111224","8.6083","0.0003","21.4647","0.0008","13.8064","0.0005","90","","102.656","0.002","90","","2489.09","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H39 F3 O3 P2 S -","- C19 H39 F3 O3 P2 S -","- C76 H156 F12 O12 P8 S4 -","4","1","","Joshua I. Bates; Derek P. Gates","Diphosphiranium (P2C) or Diphosphetanium (P2C2) Cyclic Cations: Different Fates for the Electrophile-Initiated Cyclodimerization of a Phosphaalkene","Journal of the American Chemical Society","2006","128","","15998","15999","10.1021/ja0667662","","","0.71069","MoKα","","0.0458","0.0338","","","0.0841","0.0897","","","","","","1.046","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111225","19.6306","0.0007","9.7464","0.0003","23.6322","0.0007","90","","90","","90","","4521.5","0.3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H41 I P2 -","- C19 H41 I P2 -","- C152 H328 I8 P16 -","8","2","","Joshua I. Bates; Derek P. Gates","Diphosphiranium (P2C) or Diphosphetanium (P2C2) Cyclic Cations: Different Fates for the Electrophile-Initiated Cyclodimerization of a Phosphaalkene","Journal of the American Chemical Society","2006","128","","15998","15999","10.1021/ja0667662","","","0.71073","MoKα","","0.027","0.0235","","","0.0507","0.052","","","","","","1.018","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111226","11.5725","0.0009","18.7234","0.0015","15.1039","0.0012","90","","97.966","0.006","90","","3241.1","0.4","180","","180","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 B N6 Nb -","- C33 H42 B N6 Nb -","- C132 H168 B4 N24 Nb4 -","4","1","","Pascal Oulié; Cédric Boulho; Laure Vendier; Yannick Coppel; Michel Etienne","C-H Bond Activation of Arenes by a Transient η2-Cyclopropene Niobium Complex","Journal of the American Chemical Society","2006","128","","15962","15963","10.1021/ja066985n","","","0.71073","MoKα","","0.1016","0.0511","","","0.1262","0.1491","","","","","","0.965","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111227","13.7281","0.0007","11.1998","0.0007","18.2865","0.0012","90","","95.789","0.005","90","","2797.2","0.3","180","","180","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 B N6 Nb -","- C28 H38 B N6 Nb -","- C112 H152 B4 N24 Nb4 -","4","1","","Pascal Oulié; Cédric Boulho; Laure Vendier; Yannick Coppel; Michel Etienne","C-H Bond Activation of Arenes by a Transient η2-Cyclopropene Niobium Complex","Journal of the American Chemical Society","2006","128","","15962","15963","10.1021/ja066985n","","","0.71073","MoKα","","0.0676","0.0519","","","0.1057","0.1131","","","","","","1.074","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111228","10.5531","0.0017","13.779","0.002","16.341","0.003","90","","106.552","0.003","90","","2277.7","0.6","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H41 N2 Ta -","- C22 H41 N2 Ta -","- C88 H164 N8 Ta4 -","4","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0249","0.017","","","0.0365","0.0394","","","","","","1","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111229","36.0392","0.0011","8.7448","0.0003","17.391","0.0005","90","","100.278","0.001","90","","5392.9","0.3","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H50 N2 Ta -","- C26 H50 N2 Ta -","- C208 H400 N16 Ta8 -","8","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0158","0.0142","","","0.0357","0.0363","","","","","","1.001","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111230","9.0554","0.0012","9.7804","0.0013","14.465","0.002","90.119","0.002","90.426","0.002","107.075","0.002","1224.6","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H42 N2 Ta -","- C23 H42 N2 Ta -","- C46 H84 N4 Ta2 -","2","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0231","0.0215","","","0.0473","0.0482","","","","","","1.001","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111231","8.4436","0.0004","15.2546","0.0007","17.8663","0.0008","68.504","0.001","77.232","0.001","81.612","0.001","2082.89","0.17","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H32 Cl2 N2 Ta -","- C18 H32 Cl2 N2 Ta -","- C72 H128 Cl8 N8 Ta4 -","4","2","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0357","0.0262","","","0.0581","0.0624","","","","","","1","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111232","8.7085","0.001","16.959","0.002","17.835","0.002","114.865","0.003","103.792","0.002","91.298","0.002","2298.2","0.5","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H42 N2 Ta -","- C22 H42 N2 Ta -","- C88 H168 N8 Ta4 -","4","2","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0624","0.0503","","","0.1123","0.1177","","","","","","1","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111233","9.0897","0.001","14.4865","0.0016","17.822","0.002","90","","90","","90","","2346.8","0.5","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H41 Cl N2 Ta -","- C22 H41 Cl N2 Ta -","- C88 H164 Cl4 N8 Ta4 -","4","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0486","0.0364","","","0.0765","0.0812","","","","","","1","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111234","9.1356","0.0014","14.719","0.002","18.008","0.003","90","","90","","90","","2421.5","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tantalum methyl neopentyl","","- C23 H43 Cl N2 Ta -","- C23 H43 Cl N2 Ta -","- C92 H172 Cl4 N8 Ta4 -","4","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0276","0.0257","","","0.0586","0.0594","","","","","","0.999","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111235","8.9996","0.0003","14.7479","0.0005","18.154","0.0006","90","","92.207","0.001","90","","2407.71","0.14","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H44 N2 Ta -","- C23 H44 N2 Ta -","- C92 H176 N8 Ta4 -","4","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0375","0.0217","","","0.0517","0.057","","","","","","1","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111236","9.0851","0.0016","14.834","0.003","18.443","0.003","90","","90","","90","","2485.5","0.8","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 N2 Ta -","- C24 H46 N2 Ta -","- C96 H184 N8 Ta4 -","4","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0356","0.0327","","","0.0717","0.0731","","","","","","1","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111237","17.039","0.002","16.2703","0.0018","18.251","0.002","90","","108.28","0.002","90","","4804.4","0.9","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H43 B F20 N2 Ta -","- C47 H43 B F20 N2 Ta -","- C188 H172 B4 F80 N8 Ta4 -","4","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0435","0.035","","","0.0799","0.0837","","","","","","1","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111238","34.649","0.003","8.386","0.0007","17.2661","0.0015","90","","118.401","0.002","90","","4413.1","0.7","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ta trimethylmethylene complex","","- C22 H38 N2 Ta -","- C22 H38 N2 Ta -","- C176 H304 N16 Ta8 -","8","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0366","0.0302","","","0.0712","0.0742","","","","","","1","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111239","8.5903","0.0004","9.6055","0.0004","17.5663","0.0007","87.269","0.001","88.737","0.001","68.34","0.001","1345.58","0.1","220","2","220","2","","","","","","","","4","P -1","-P 1","2","Ta di-butyl complex","Ta di-butyl complex","","- C26 H50 N2 Ta -","- C26 H50 N2 Ta -","- C52 H100 N4 Ta2 -","2","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0199","0.019","","","0.0441","0.0445","","","","","","0.999","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111240","11.1008","0.0004","14.5074","0.0005","16.1862","0.0005","76.251","0.002","81.606","0.002","73.17","0.002","2415.18","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H27 Cu1.5 F18 O6 -","- C51 H27 Cu1.5 F18 O6 -","- C102 H54 Cu3 F36 O12 -","2","1","","Lindsay A. Batory; Christine E. McInnis; Jon T. Njardarson","Copper-Catalyzed Rearrangement of Vinyl Oxiranes","Journal of the American Chemical Society","2006","128","","16054","16055","10.1021/ja067073o","","","0.71073","MoKα","","0.0514","0.0443","","","0.1504","0.1551","","","","","","1.275","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111241","6.5003","0.0009","16.178","0.002","18.895","0.003","90","","90","","90","","1987","0.5","181.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O4 S -","- C17 H29 N O4 S -","- C68 H116 N4 O16 S4 -","4","1","","Hillary M. Peltier; Jeffrey P. McMahon; Andrew W. Patterson; Jonathan A. Ellman","The Total Synthesis of Tubulysin D","Journal of the American Chemical Society","2006","128","","16018","16019","10.1021/ja067177z","","","0.7107","MoKα","","0.0398","0.0337","","0.0419","","0.041","","","","","","1.704","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111242","11.472","0.003","9.565","0.003","12.691","0.003","90","","106.824","0.004","90","","1333","0.6","183.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H24 Br2 N2 O5 S -","- C25 H20 Br2 N2 O5 S -","- C50 H40 Br4 N4 O10 S2 -","2","1","","Hillary M. Peltier; Jeffrey P. McMahon; Andrew W. Patterson; Jonathan A. Ellman","The Total Synthesis of Tubulysin D","Journal of the American Chemical Society","2006","128","","16018","16019","10.1021/ja067177z","","","0.7107","MoKα","","0.0574","0.0374","","0.0505","","0.0446","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111243","19.108","0.0013","11.766","0.0009","19.656","0.0014","90","","118.138","0.004","90","","3896.9","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Hf-Si complex","Hf-silylene complex","","- C35 H69 Hf P Si3 -","- C35 H69 Hf P Si3 -","- C140 H276 Hf4 P4 Si12 -","4","1","","Norio Nakata; Toshiyuki Fujita; Akira Sekiguchi","A Stable Schrock-Type Hafnium-Silylene Complex","Journal of the American Chemical Society","2006","128","","16024","16025","10.1021/ja067251d","","","0.7107","MoKα","","0.0438","0.0384","","","0.0984","0.1017","","","","","","1.031","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111244","13.0931","0.0003","13.8192","0.0002","18.4276","0.0004","90","","90","","90","","3334.22","0.12","150","1","150","1","","","","","","","","6","P b 21 a","P -2a -2ab","29","","","","- C36 H38 Cl N5 Ni O6 -","- C36 H38 Cl N5 Ni O6 -","- C144 H152 Cl4 N20 Ni4 O24 -","4","1","","Katarzyna Rudzka; Atta M. Arif; Lisa M. Berreau","Glyoxalase I-type Hemithioacetal Isomerization Reactivity of a Mononuclear Ni(II) Deprotonated Amide Complex","Journal of the American Chemical Society","2006","128","","17018","17023","10.1021/ja0601336","","","0.71073","MoKα","","0.0649","0.0437","","","0.0926","0.1054","","","","","","1.102","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111245","11.0378","0.0008","10.226","0.0007","17.1981","0.0012","90","","98.531","0.001","90","","1919.7","0.2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Compound 1-endo","[benzyl-7-fluoro-5-(mthylsulfnyl)-1,4-dihydrocyclpent[b]indol-3-yl]oac","","- C21 H17 Cl F N O4 S -","- C21 H17 Cl F N O4 S -","- C84 H68 Cl4 F4 N4 O16 S4 -","4","1","","David M. Tellers; J. Christopher McWilliams; Guy Humphrey; Michel Journet; Lisa DiMichele; Joseph Hinksmon; Arlene E. McKeown; Thorsten Rosner; Yongkui Sun; Richard D. Tillyer","On the Mechanism of an Asymmetric α,β-Unsaturated Carboxylic Acid Hydrogenation: Application to the Synthesis of a PGD2 Receptor Antagonist","Journal of the American Chemical Society","2006","128","","17063","17073","10.1021/ja0623358","","","0.71073","MoKα","","0.0671","0.0488","","","0.1058","0.1133","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111246","7.6711","0.0008","11.9741","0.0012","13.8819","0.0013","93.157","0.002","105.488","0.002","93.159","0.002","1223.7","0.2","218","2","218","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H28 B2 F20 S2 -","- C53 H20 B2 F20 S2 -","- C53 H20 B2 F20 S2 -","1","0.5","","Anand Sundararaman; Krishnan Venkatasubbaiah; Maria Victor; Lev N. Zakharov; Arnold L. Rheingold; Frieder Jäkle","Electronic Communication and Negative Binding Cooperativity in Diborylated Bithiophenes","Journal of the American Chemical Society","2006","128","","16554","16565","10.1021/ja064396b","","","0.71073","MoKα","","0.0575","0.0459","","","0.1352","0.1427","","","","","","1.059","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111247","9.073","0.0001","12.8466","0.0002","13.124","0.0002","105.513","0.001","100.786","0.001","105.923","0.001","1360.24","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 B2 F20 N2 S2 -","- C60 H38 B2 F20 N2 S2 -","- C60 H38 B2 F20 N2 S2 -","1","0.5","","Anand Sundararaman; Krishnan Venkatasubbaiah; Maria Victor; Lev N. Zakharov; Arnold L. Rheingold; Frieder Jäkle","Electronic Communication and Negative Binding Cooperativity in Diborylated Bithiophenes","Journal of the American Chemical Society","2006","128","","16554","16565","10.1021/ja064396b","","","1.54178","CuKα","","0.0521","0.0381","","","0.0994","0.1308","","","","","","1.189","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111248","11.418","0.0003","6.88","0.0002","12.682","0.0003","90","","108.869","0.0016","90","","942.71","0.04","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","Compound ege8_ca_","","","- C18 H25 N3 O4 -","- C18 H25 N3 O4 -","- C36 H50 N6 O8 -","2","1","","Felipe Reviriego; Maria Isabel Rodríguez-Franco; Pilar Navarro; Enrique García-España; Malva Liu-González; Begoña Verdejo; Antonio Domènech","The Sodium Salt of Diethyl 1H-pyrazole-3,5-dicarboxylate as an Efficient Amphiphilic Receptor for Dopamine and Amphetamines. Crystal Structure and Solution Studies","Journal of the American Chemical Society","2006","128","","16458","16459","10.1021/ja064657h","","x-ray","0.71073","MoKα","","0.0656","0.0404","","","0.1081","0.13","","","","","","1.062","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4111249","10.3139","0.0018","17.875","0.003","19.132","0.003","90.617","0.004","98.394","0.004","90.769","0.004","3488.8","1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H50 Si4 Zr -","- C32 H50 Si4 Zr -","- C128 H200 Si16 Zr4 -","4","2","","Christopher A. Bradley; Luis F. Veiros; Doris Pun; Emil Lobkovsky; Ivan Keresztes; Paul J. Chirik","Carbon-Oxygen Bond Cleavage with η9,η5-Bis(indenyl)zirconium Sandwich Complexes","Journal of the American Chemical Society","2006","128","","16600","16612","10.1021/ja065456g","","","0.71073","MoKα","","0.0727","0.0421","","","0.0945","0.1054","","","","","","1.009","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111250","10.6205","0.0011","15.3659","0.0016","18.2945","0.0018","90","","105.487","0.004","90","","2877.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 O Zr -","- C34 H46 O Zr -","- C136 H184 O4 Zr4 -","4","1","","Christopher A. Bradley; Luis F. Veiros; Doris Pun; Emil Lobkovsky; Ivan Keresztes; Paul J. Chirik","Carbon-Oxygen Bond Cleavage with η9,η5-Bis(indenyl)zirconium Sandwich Complexes","Journal of the American Chemical Society","2006","128","","16600","16612","10.1021/ja065456g","","","0.71073","MoKα","","0.0392","0.0278","","","0.0779","0.0822","","","","","","1.106","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111251","6.9633","0.0012","10.9345","0.0018","11.3463","0.0019","99.492","0.003","96.613","0.003","90.63","0.003","846","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N2 Pt S2 -","- C20 H16 N2 Pt S2 -","- C40 H32 N4 Pt2 S4 -","2","1","","Samuel W. Thomas; Koushik Venkatesan; Peter Müller; Timothy M. Swager","Dark-Field Oxidative Addition-Based Chemosensing: New Bis-cyclometalated Pt(II) Complexes and Phosphorescent Detection of Cyanogen Halides","Journal of the American Chemical Society","2006","128","","16641","16648","10.1021/ja065645z","","","0.71073","MoKα","","0.0181","0.0165","","","0.0389","0.0398","","","","","","1.052","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111252","16.0087","0.001","9.0397","0.0005","24.8119","0.0015","90","","104.852","0.002","90","","3470.7","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H16 N2 Pt S2 -","- C20 H16 N2 Pt S2 -","- C160 H128 N16 Pt8 S16 -","8","4","","Samuel W. Thomas; Koushik Venkatesan; Peter Müller; Timothy M. Swager","Dark-Field Oxidative Addition-Based Chemosensing: New Bis-cyclometalated Pt(II) Complexes and Phosphorescent Detection of Cyanogen Halides","Journal of the American Chemical Society","2006","128","","16641","16648","10.1021/ja065645z","","","0.71073","MoKα","","0.0208","0.0198","","","0.0464","0.0468","","","","","","1.024","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111253","9.8404","0.0008","18.3388","0.0018","18.4798","0.0017","74.296","0.003","80.151","0.003","86.066","0.003","3162.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N2 Pt S -","- C20 H14 N2 Pt S -","- C160 H112 N16 Pt8 S8 -","8","4","","Samuel W. Thomas; Koushik Venkatesan; Peter Müller; Timothy M. Swager","Dark-Field Oxidative Addition-Based Chemosensing: New Bis-cyclometalated Pt(II) Complexes and Phosphorescent Detection of Cyanogen Halides","Journal of the American Chemical Society","2006","128","","16641","16648","10.1021/ja065645z","","","0.71073","MoKα","","0.0704","0.05","","","0.0886","0.0924","","","","","","1.16","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111254","10.1034","0.0007","29.987","0.002","14.974","0.001","90","","104.099","0.002","90","","4400","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H110 F24 Mo2 N2 O14 -","- C79 H110 F24 Mo2 N2 O14 -","- C158 H220 F48 Mo4 N4 O28 -","2","0.5","","Constantin Czekelius; Jillian Hafer; Zachary J. Tonzetich; Richard R. Schrock; Ronald L. Christensen; Peter Müller","Synthesis of Oligoenes that Contain up to 15 Double Bonds from 1,6-Heptadiynes","Journal of the American Chemical Society","2006","128","","16664","16675","10.1021/ja0656705","","","0.71073","MoKα","","0.1112","0.0983","","","0.2184","0.228","","","","","","1.12","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111255","11.0704","0.0004","27.1993","0.001","22.5569","0.0009","90","","90.833","0.001","90","","6791.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55.5 H68 F24 Mo2 N2 O8 -","- C55.5 H68 F24 Mo2 N2 O8 -","- C222 H272 F96 Mo8 N8 O32 -","4","1","","Constantin Czekelius; Jillian Hafer; Zachary J. Tonzetich; Richard R. Schrock; Ronald L. Christensen; Peter Müller","Synthesis of Oligoenes that Contain up to 15 Double Bonds from 1,6-Heptadiynes","Journal of the American Chemical Society","2006","128","","16664","16675","10.1021/ja0656705","","","0.71073","MoKα","","0.0767","0.0485","","","0.1199","0.1332","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111256","19.1158","0.0011","19.1158","0.0011","19.1158","0.0011","90","","90","","90","","6985.2","0.7","161","2","166","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C45 H12 Cl1.5 Mn6.75 N51 O20.09 -","- C45 H12 Cl1.5 Mn6.75 N51 O20.04 -","- C90 H24 Cl3 Mn13.5 N102 O40.08 -","2","0.0416667","","Mircea Dincǎ; Anne Dailly; Yun Liu; Craig M. Brown; Dan A. Neumann; Jeffrey R. Long","Hydrogen Storage in a Microporous Metal-Organic Framework with Exposed Mn2+ Coordination Sites","Journal of the American Chemical Society","2006","128","","16876","16883","10.1021/ja0656853","","","0.71073","MoKα","","0.0846","0.0771","","","0.2508","0.2654","","","","","","1.551","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111257","19.0086","0.0011","19.0086","0.0011","19.0086","0.0011","90","","90","","90","","6868.3","0.7","161","2","161","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C41 H12 Cl1.5 Mn6.75 N48 O5 -","- C41.04 H12 Cl1.5 Mn6.72 N48 O5.04 -","- C82.08 H24 Cl3 Mn13.44 N96 O10.08 -","2","0.0416667","","Mircea Dincǎ; Anne Dailly; Yun Liu; Craig M. Brown; Dan A. Neumann; Jeffrey R. Long","Hydrogen Storage in a Microporous Metal-Organic Framework with Exposed Mn2+ Coordination Sites","Journal of the American Chemical Society","2006","128","","16876","16883","10.1021/ja0656853","","","0.71073","MoKα","","0.0638","0.0486","","","0.1417","0.1557","","","","","","1.205","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111258","11.416","0.003","15.906","0.004","14.489","0.004","90","","108.73","0.003","90","","2491.6","1.1","150.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H40 Se Si5 -","- C16 H40 Se Si5 -","- C64 H160 Se4 Si20 -","4","1","","Takeaki Iwamoto; Katsuhiro Sato; Shintaro Ishida; Chizuko Kabuto; Mitsuo Kira","Synthesis, Properties, and Reactions of a Series of Stable Dialkyl-Substituted Silicon-Chalcogen Doubly Bonded Compounds","Journal of the American Chemical Society","2006","128","","16914","16920","10.1021/ja065774f","","","0.7107","MoKα","","","0.0323","","","","0.0769","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111259","10.528","0.003","15.578","0.004","16.128","0.005","90","","106.003","0.004","90","","2542.6","1.3","150.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 Si5 Te -","- C16 H40 Si5 Te -","- C64 H160 Si20 Te4 -","4","1","","Takeaki Iwamoto; Katsuhiro Sato; Shintaro Ishida; Chizuko Kabuto; Mitsuo Kira","Synthesis, Properties, and Reactions of a Series of Stable Dialkyl-Substituted Silicon-Chalcogen Doubly Bonded Compounds","Journal of the American Chemical Society","2006","128","","16914","16920","10.1021/ja065774f","","","0.7107","MoKα","","","0.0263","","","","0.0736","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111260","10.317","0.002","14.994","0.003","15.823","0.003","90","","90","","90","","2447.7","0.8","150.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H40 S Si5 -","- C16 H40 S Si5 -","- C64 H160 S4 Si20 -","4","1","","Takeaki Iwamoto; Katsuhiro Sato; Shintaro Ishida; Chizuko Kabuto; Mitsuo Kira","Synthesis, Properties, and Reactions of a Series of Stable Dialkyl-Substituted Silicon-Chalcogen Doubly Bonded Compounds","Journal of the American Chemical Society","2006","128","","16914","16920","10.1021/ja065774f","","","0.7107","MoKα","","","0.0289","","","","0.0802","","","","","","0.962","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111261","16.32","0.003","16.719","0.003","20.453","0.004","90","","104.144","0.003","90","","5411.5","1.7","150.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H40 S4 Si5 -","- C16 H40 S4 Si5 -","- C128 H320 S32 Si40 -","8","2","","Takeaki Iwamoto; Katsuhiro Sato; Shintaro Ishida; Chizuko Kabuto; Mitsuo Kira","Synthesis, Properties, and Reactions of a Series of Stable Dialkyl-Substituted Silicon-Chalcogen Doubly Bonded Compounds","Journal of the American Chemical Society","2006","128","","16914","16920","10.1021/ja065774f","","","0.7107","MoKα","","","0.0363","","","","0.0738","","","","","","0.981","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111262","13.4096","0.0003","13.0716","0.0002","21.835","0.0005","90","","127.643","0.001","90","","3030.61","0.12","200","2","200","2","","","","","","","chemical synthesis","3","P 1 21/c 1","-P 2ybc","14","","9,10,12,13-Tetraphenyl-11-oxacyclopenta[b]triphenylene","","- C44 H28 O -","- C44 H28 O -","- C176 H112 O4 -","4","1","","Jun Lu; Douglas M. Ho; Nancy J. Vogelaar; Christina M. Kraml; Stefan Bernhard; Neal Byrne; Laura R. Kim; Robert A. Pascal","Synthesis, Structure, and Resolution of Exceptionally Twisted Pentacenes","Journal of the American Chemical Society","2006","128","","17043","17050","10.1021/ja065935f","","","0.71073","MoKα","","0.0721","0.0552","","0.1325","","0.1111","","","1.124","","","1.169","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111263","12.6834","0.0002","18.7","0.0003","16.3911","0.0002","90","","126.091","0.001","90","","3141.53","0.09","200","2","200","2","","","","","","","chemical synthesis","5","P 1 21/c 1","-P 2ybc","14","","9,10,11,20,21,22-Hexaphenyltetrabenzo[a,c,l,n]pentacene (9,22),(11,20)- Diepoxide Dichloromethane Dimethylsulfoxide Solvate","","- C78.75 H57 Cl6.5 O2.75 S0.75 -","- C78.78 H57.08 Cl6.52 O2.76 S0.76 -","- C157.56 H114.16 Cl13.04 O5.52 S1.52 -","2","0.5","","Jun Lu; Douglas M. Ho; Nancy J. Vogelaar; Christina M. Kraml; Stefan Bernhard; Neal Byrne; Laura R. Kim; Robert A. Pascal","Synthesis, Structure, and Resolution of Exceptionally Twisted Pentacenes","Journal of the American Chemical Society","2006","128","","17043","17050","10.1021/ja065935f","","","0.71073","MoKα","","0.0964","0.0727","","0.2231","","0.1937","","","1.032","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111264","15.5738","0.0005","17.2429","0.0008","18.2439","0.0008","90","","90.816","0.002","90","","4898.7","0.4","100","2","100","2","","","","","","","chemical synthesis","2","P 1 21/c 1","-P 2ybc","14","","9,10,11,20,21,22-Hexaphenyltetrabenzo[a,c,l,n]pentacene","","- C74 H46 -","- C74 H46 -","- C296 H184 -","4","1","","Jun Lu; Douglas M. Ho; Nancy J. Vogelaar; Christina M. Kraml; Stefan Bernhard; Neal Byrne; Laura R. Kim; Robert A. Pascal","Synthesis, Structure, and Resolution of Exceptionally Twisted Pentacenes","Journal of the American Chemical Society","2006","128","","17043","17050","10.1021/ja065935f","","","0.97791","Synchrotron","","0.0683","0.0635","","0.1937","","0.1847","","","1.056","","","1.075","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111265","14.8577","0.0003","29.2657","0.0006","15.1524","0.0005","90","","105.778","0.001","90","","6340.3","0.3","200","2","200","2","","","","","","","chemical synthesis","3","P 1 21 1","P 2yb","4","","9,11,20,22-Tetraphenyl-10,21-di-p-tolyltetrabenzo[a,c,l,n]pentacene Ethyl Acetate Solvate","","- C84 H70 O5 -","- C76 H50 -","- C304 H200 -","4","2","","Jun Lu; Douglas M. Ho; Nancy J. Vogelaar; Christina M. Kraml; Stefan Bernhard; Neal Byrne; Laura R. Kim; Robert A. Pascal","Synthesis, Structure, and Resolution of Exceptionally Twisted Pentacenes","Journal of the American Chemical Society","2006","128","","17043","17050","10.1021/ja065935f","","","0.71073","MoKα","","0.0767","0.063","","0.1531","","0.146","","","1.038","","","1.092","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111266","10.2014","0.0006","10.9644","0.0006","13.9002","0.0008","90","","92.56","0.001","90","","1553.22","0.15","150","2","150","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C37 H40 B2 O4 -","- C37 H40 B2 O4 -","- C74 H80 B4 O8 -","2","0.5","","Weijun Niu; Mark D. Smith; John J. Lavigne","Self-Assembling Poly(dioxaborole)s as Blue-Emissive Materials","Journal of the American Chemical Society","2006","128","","16466","16467","10.1021/ja065986c","","","0.71073","MoKα","","0.0533","0.0453","","","0.1008","0.105","","","","","","1.079","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111267","17.355","0.001","17.355","0.001","22.74","0.002","90","","90","","90","","6849.2","0.8","213.1","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C28 H30 N6 O6 Zn -","- C28 H30 N6 O6 Zn -","- C224 H240 N48 O48 Zn8 -","8","0.5","","Satoru Shimomura; Ryotaro Matsuda; Takashi Tsujino; Takashi Kawamura; Susumu Kitagawa","TCNQ Dianion-Based Coordination Polymer Whose Open Framework Shows Charge-Transfer Type Guest Inclusion","Journal of the American Chemical Society","2006","128","","16416","16417","10.1021/ja0660047","","","0.7107","MoKα","","","0.074","","","","0.081","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111268","12.384","0.002","12.384","0.002","22.765","0.003","90","","90","","90","","3491.3","0.9","273.1","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- C34 H24 N6 Zn -","- C34 H24 N6 Zn -","- C136 H96 N24 Zn4 -","4","0.125","","Satoru Shimomura; Ryotaro Matsuda; Takashi Tsujino; Takashi Kawamura; Susumu Kitagawa","TCNQ Dianion-Based Coordination Polymer Whose Open Framework Shows Charge-Transfer Type Guest Inclusion","Journal of the American Chemical Society","2006","128","","16416","16417","10.1021/ja0660047","","","0.7107","MoKα","","","0.054","","","","0.07","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111269","8.31","0.001","26.062","0.003","10.237","0.001","90","","90","","90","","2217.1","0.4","171.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 O6 -","- C24 H34 O6 -","- C96 H136 O24 -","4","1","","Aubry K. Miller; Chambers C. Hughes; Joshua J. Kennedy-Smith; Stefan N. Gradl; Dirk Trauner","Total Synthesis of (-)-Heptemerone B and (-)-Guanacastepene E","Journal of the American Chemical Society","2006","128","","17057","17062","10.1021/ja0660507","","","0.7107","MoKα","","0.0676","0.0423","","0.0546","","0.0468","","","","","","1.467","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111270","6.768","0.001","10.522","0.002","14.194","0.003","108.49","0.002","96.165","0.003","93.944","0.003","947.4","0.3","108.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C42 H60 O6 -","2","1","","Aubry K. Miller; Chambers C. Hughes; Joshua J. Kennedy-Smith; Stefan N. Gradl; Dirk Trauner","Total Synthesis of (-)-Heptemerone B and (-)-Guanacastepene E","Journal of the American Chemical Society","2006","128","","17057","17062","10.1021/ja0660507","","","0.7107","MoKα","","0.0804","0.0534","","0.0878","","0.0757","","","","","","1.482","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111271","9.7244","0.0007","10.2254","0.0008","10.4074","0.0008","90.903","0.002","101.474","0.002","116.339","0.002","902.5","0.12","152.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 I2 N2 O3 -","- C14 H20 I2 N2 O3 -","- C28 H40 I4 N4 O6 -","2","1","","Aubry K. Miller; Chambers C. Hughes; Joshua J. Kennedy-Smith; Stefan N. Gradl; Dirk Trauner","Total Synthesis of (-)-Heptemerone B and (-)-Guanacastepene E","Journal of the American Chemical Society","2006","128","","17057","17062","10.1021/ja0660507","","","0.7107","MoKα","","","0.0431","","","","0.0541","","","","","","1.426","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111272","24.886","0.003","5.6703","0.0007","7.9763","0.0011","90","","99.066","0.007","90","","1111.5","0.2","93","2","93","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H22 F4 O6 S2 -","- C20 H22 F4 O6 S2 -","- C40 H44 F8 O12 S4 -","2","0.5","","Luke Hunter; David O'Hagan; Alexandra M. Z. Slawin","Enantioselective Synthesis of an All-syn Four Vicinal Fluorine Motif","Journal of the American Chemical Society","2006","128","","16422","16423","10.1021/ja066188p","","","0.71073","MoKα","","0.035","0.0341","","","0.0886","0.0897","","","","","","1.062","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111273","7.9569","0.0017","7.5578","0.0017","14.123","0.003","90","","93.105","0.008","90","","848.1","0.3","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 F2 O2 -","- C20 H22 F2 O2 -","- C40 H44 F4 O4 -","2","1","","Luke Hunter; David O'Hagan; Alexandra M. Z. Slawin","Enantioselective Synthesis of an All-syn Four Vicinal Fluorine Motif","Journal of the American Chemical Society","2006","128","","16422","16423","10.1021/ja066188p","","","0.71073","MoKα","","0.0357","0.035","","","0.0934","0.0941","","","","","","1.072","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111274","10.734","0.005","35.12","0.017","11.253","0.006","90","","118.305","0.009","90","","3735","3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 F2 O4 -","- C20 H24 F2 O4 -","- C160 H192 F16 O32 -","8","4","","Luke Hunter; David O'Hagan; Alexandra M. Z. Slawin","Enantioselective Synthesis of an All-syn Four Vicinal Fluorine Motif","Journal of the American Chemical Society","2006","128","","16422","16423","10.1021/ja066188p","","","1.54178","CuKα","","0.2422","0.2235","","","0.5634","0.583","","","","","","2.265","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111275","5.1753","0.0005","30.941","0.002","10.848","0.001","90","","90.375","0.004","90","","1737","0.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H29 N O4 -","- C15 H29 N O4 -","- C60 H116 N4 O16 -","4","2","","Cheol-Kyu Jung; Michael J. Krische","Asymmetric Induction in Hydrogen-Mediated Reductive Aldol Additions to α-Amino Aldehydes Catalyzed by Rhodium: Selective Formation of syn-Stereotriads Directed by Intramolecular Hydrogen-Bonding","Journal of the American Chemical Society","2006","128","","17051","17056","10.1021/ja066198q","","","0.71073","MoKα","","0.1536","0.1065","","","0.1682","0.1845","","","","","","1.803","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111276","25.8069","0.0005","6.0191","0.0002","19.571","0.0005","90","","120.152","0.002","90","","2628.72","0.13","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H33 N3 O9 -","- C23 H33 N3 O9 -","- C92 H132 N12 O36 -","4","1","","Cheol-Kyu Jung; Michael J. Krische","Asymmetric Induction in Hydrogen-Mediated Reductive Aldol Additions to α-Amino Aldehydes Catalyzed by Rhodium: Selective Formation of syn-Stereotriads Directed by Intramolecular Hydrogen-Bonding","Journal of the American Chemical Society","2006","128","","17051","17056","10.1021/ja066198q","","","0.71073","MoKα","","0.0579","0.0384","","","0.0872","0.0947","","","","","","1.018","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111277","10.472","0.0004","15.185","0.0006","10.524","0.0004","90","","94.257","0.0019","90","","1668.88","0.11","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H22 N O4 -","- C14 H27 N O4 -","- C56 H108 N4 O16 -","4","2","","Cheol-Kyu Jung; Michael J. Krische","Asymmetric Induction in Hydrogen-Mediated Reductive Aldol Additions to α-Amino Aldehydes Catalyzed by Rhodium: Selective Formation of syn-Stereotriads Directed by Intramolecular Hydrogen-Bonding","Journal of the American Chemical Society","2006","128","","17051","17056","10.1021/ja066198q","","","0.71073","MoKα","","0.0886","0.0505","","","0.088","0.0988","","","","","","1.329","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111278","10.542","0.0001","10.542","0.0001","22.5021","0.0004","90","","90","","90","","2500.74","0.06","153","2","153","2","","","","","","","","4","P 43","P 4cw","78","","","","- C22 H31 N3 O9 -","- C22 H31 N3 O9 -","- C88 H124 N12 O36 -","4","1","","Cheol-Kyu Jung; Michael J. Krische","Asymmetric Induction in Hydrogen-Mediated Reductive Aldol Additions to α-Amino Aldehydes Catalyzed by Rhodium: Selective Formation of syn-Stereotriads Directed by Intramolecular Hydrogen-Bonding","Journal of the American Chemical Society","2006","128","","17051","17056","10.1021/ja066198q","","","0.71073","MoKα","","0.0469","0.0339","","","0.0693","0.0746","","","","","","1.036","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111279","14.3459","0.0008","16.873","0.001","16.545","0.001","90","","99.695","0.002","90","","3947.7","0.4","183.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 Co2 La N5 O21 -","- C30 H35 Co2 La N5 O21 -","- C120 H140 Co8 La4 N20 O84 -","4","1","","Takuya Shiga; Hisashi Ōkawa; Susumu Kitagawa; Masaaki Ohba","Stepwise Synthesis and Magnetic Control of Trimetallic Magnets [Co2Ln(L)2(H2O)4][Cr(CN)6].nH2O (Ln = La, Gd; H2L = 2,6-Di(acetoacetyl)pyridine) with 3-D Pillared-Layer Structure","Journal of the American Chemical Society","2006","128","","16426","16427","10.1021/ja066434x","","","0.7107","MoKα","","","0.0397","","","","0.1226","","","","","","1.2","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111280","14.0129","0.0005","17.3636","0.0004","16.313","0.0007","90","","99.274","0.001","90","","3917.3","0.2","296.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H38 Co2 Gd N5 O21 -","- C60 H76 Co4 Gd N9 O41 -","- C240 H304 Co16 Gd4 N36 O164 -","4","0.5","","Takuya Shiga; Hisashi Ōkawa; Susumu Kitagawa; Masaaki Ohba","Stepwise Synthesis and Magnetic Control of Trimetallic Magnets [Co2Ln(L)2(H2O)4][Cr(CN)6].nH2O (Ln = La, Gd; H2L = 2,6-Di(acetoacetyl)pyridine) with 3-D Pillared-Layer Structure","Journal of the American Chemical Society","2006","128","","16426","16427","10.1021/ja066434x","","","0.7107","MoKα","","","0.0314","","","","0.1086","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111281","10.617","0.004","10.616","0.004","17.008","0.006","90.014","0.007","89.982","0.007","90.011","0.006","1917","1.2","183.1","","","","","","","","","","","7","P 1","P 1","1","","","","- C32 H22 Co2 Cr La N8 O12 -","- C32 H22 Co2 Cr La N8 O12 -","- C64 H44 Co4 Cr2 La2 N16 O24 -","2","2","","Takuya Shiga; Hisashi Ōkawa; Susumu Kitagawa; Masaaki Ohba","Stepwise Synthesis and Magnetic Control of Trimetallic Magnets [Co2Ln(L)2(H2O)4][Cr(CN)6].nH2O (Ln = La, Gd; H2L = 2,6-Di(acetoacetyl)pyridine) with 3-D Pillared-Layer Structure","Journal of the American Chemical Society","2006","128","","16426","16427","10.1021/ja066434x","","","0.7107","MoKα","","","0.0527","","","","0.1505","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111282","10.634","0.001","10.6385","0.0008","16.878","0.002","89.956","0.007","89.992","0.008","89.904","0.007","1909.4","0.3","183.1","","","","","","","","","","","7","P 1","P 1","1","","","","- C32 H22 Co2 Cr Gd N8 O12 -","- C32 H22 Co4.5 Cr Gd N10.5 O12 -","- C64 H44 Co9 Cr2 Gd2 N21 O24 -","2","2","","Takuya Shiga; Hisashi Ōkawa; Susumu Kitagawa; Masaaki Ohba","Stepwise Synthesis and Magnetic Control of Trimetallic Magnets [Co2Ln(L)2(H2O)4][Cr(CN)6].nH2O (Ln = La, Gd; H2L = 2,6-Di(acetoacetyl)pyridine) with 3-D Pillared-Layer Structure","Journal of the American Chemical Society","2006","128","","16426","16427","10.1021/ja066434x","","","0.7107","MoKα","","","0.0493","","","","0.1758","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111283","9.178","0.018","11.08","0.03","13.54","0.03","91.18","0.14","99.91","0.17","92.5","0.18","1355","5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","[Crypt K]+ BQ-","2,2,2-Cryptand potassium benzoquinonide","","- C24 H40 K N2 O8 -","- C24 H40 K N2 O8 -","- C48 H80 K2 N4 O16 -","2","1","","Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi","Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs","Journal of the American Chemical Society","2006","128","","16708","16719","10.1021/ja066471o","","","0.71073","MoKα","","0.0814","0.0464","","","0.0872","0.0952","","","","","","0.863","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111284","10.3668","0.0015","17.507","0.004","15.333","0.002","90","","104.649","0.013","90","","2692.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Crypt K]+ BQ-","2,2,2-Cryptand potassium benzoquinonide","","- C24 H40 K N2 O8 -","- C24 H40 K N2 O8 -","- C96 H160 K4 N8 O32 -","4","1","","Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi","Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs","Journal of the American Chemical Society","2006","128","","16708","16719","10.1021/ja066471o","","","0.71073","MoKα","","0.0975","0.0462","","","0.0793","0.0883","","","","","","0.86","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111285","15.283","0.003","15.283","0.003","9.112","0.003","90","","90","","120","","1843.2","0.8","173","2","173","2","","","","","","","","4","P 31","P 31","144","[DBCrown K]+ BQ-","Dibenzo-18-crown-6 potassium benzoquinonide","","- C26 H28 K O8 -","- C26 H28 K O8 -","- C78 H84 K3 O24 -","3","1","","Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi","Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs","Journal of the American Chemical Society","2006","128","","16708","16719","10.1021/ja066471o","","","0.71073","MoKα","","0.1138","0.0386","","","0.0644","0.0774","","","","","","0.804","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111286","15.96","0.002","12.3063","0.0019","17.062","0.002","90","","90.431","0.004","90","","3351","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Crypt Na]+ pCA-","2,2,2-Cryptand sodium tetrachlorobenzoquinonide, dichloromethane solvate","","- C25 H38 Cl6 N2 Na O8 -","- C25 H38 Cl6 N2 Na O8 -","- C100 H152 Cl24 N8 Na4 O32 -","4","1","","Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi","Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs","Journal of the American Chemical Society","2006","128","","16708","16719","10.1021/ja066471o","","","0.71073","MoKα","","0.0935","0.0435","","","0.0741","0.0837","","","","","","0.81","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111287","11.631","0.008","11.923","0.007","13.901","0.011","93.62","0.07","100.27","0.09","103","0.07","1837","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","K(Crypt) duroquinone*x THF","2,2,2-Cryptand potassium 2,3,5,6-tetramethylbenzoquinonide, tetrahydrofuran solvate","","- C30.8 H53.6 K N2 O8.7 -","- C30.8 H53.6 K N2 O8.7 -","- C61.6 H107.2 K2 N4 O17.4 -","2","1","","Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi","Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs","Journal of the American Chemical Society","2006","128","","16708","16719","10.1021/ja066471o","","","0.71073","MoKα","","0.1355","0.0599","","","0.1559","0.1751","","","","","","0.865","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111288","10.143","0.01","31.03","0.02","15.257","0.013","90","","97.6","0.09","90","","4760","7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[2,2,2]cryptand potassium 2,6-di-tert-butylbenzoquinonide","","- C41 H72 K N2 O11 -","- C41 H72 K N2 O11 -","- C164 H288 K4 N8 O44 -","4","1","","Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi","Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs","Journal of the American Chemical Society","2006","128","","16708","16719","10.1021/ja066471o","","","0.71073","MoKα","","0.1722","0.0841","","","0.2013","0.2327","","","","","","0.844","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111289","16.238","0.003","17.76","0.004","17.19","0.003","90","","109.204","0.014","90","","4681.5","1.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DBCrown K 2,6-DBBQ","Dibenzo-18-crown-6 tetrahydrofuran potassium 2,6-di-tert-butylbenzoquinonide, tetrahydrofuran solvate","","- C46 H68 K O11 -","- C46 H68 K O11 -","- C184 H272 K4 O44 -","4","1","","Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi","Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs","Journal of the American Chemical Society","2006","128","","16708","16719","10.1021/ja066471o","","","0.71073","MoKα","","0.1243","0.0647","","","0.1751","0.1953","","","","","","0.916","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111290","9.454","0.004","10.051","0.004","20.335","0.007","80.13","0.04","84.59","0.03","67.58","0.03","1758.9","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2,2,2-Cryptand potassium 2,5-di-t-butyl-benzoquinonide,","","- C32 H56 K N2 O8 -","- C32 H56 K N2 O8 -","- C64 H112 K2 N4 O16 -","2","1","","Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi","Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs","Journal of the American Chemical Society","2006","128","","16708","16719","10.1021/ja066471o","","","0.71073","MoKα","","0.0542","0.0395","","","0.0932","0.0975","","","","","","0.944","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111291","7.992","0.007","10","0.01","11.384","0.011","67.94","0.02","83.77","0.03","68.12","0.02","781.9","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","2,5-DBBQ K (THF)4","Potassium 2,5-di-tert-butyl-benzoquinonide, tetrahydrofuran solvate","","- C30 H52 K O6 -","- C30 H52 K O6 -","- C30 H52 K O6 -","1","0.5","","Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi","Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs","Journal of the American Chemical Society","2006","128","","16708","16719","10.1021/ja066471o","","","0.71073","MoKα","","0.1954","0.0552","","","0.0864","0.1081","","","","","","0.669","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111292","9.672","0.013","12.917","0.016","13.233","0.016","101.21","0.03","97.26","0.04","108.24","0.05","1509","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 Cl3 N4 O3 -","- C28 H36 Cl3 N4 O3 -","- C56 H72 Cl6 N8 O6 -","2","1","","Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi","Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs","Journal of the American Chemical Society","2006","128","","16708","16719","10.1021/ja066471o","","","0.71073","MoKα","","0.2125","0.0678","","","0.1509","0.1811","","","","","","0.814","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111293","14.8543","0.0004","38.0136","0.0015","7.455","0.0002","90","","105.103","0.002","90","","4064.2","0.2","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","Manganese(III) 5,10,15-tris(pentafluorophenyl)corrole Ethyl Acetate, Ethyl Acetate solvate","","- C45 H24 F15 Mn N4 O4 -","- C45 H24 F15 Mn N4 O4 -","- C180 H96 F60 Mn4 N16 O16 -","4","1","","Michael J. Zdilla; Mahdi M. Abu-Omar","Mechanism of Catalytic Aziridination with Manganese Corrole: The Often Postulated High-Valent Mn(V) Imido Is Not the Group Transfer Reagent","Journal of the American Chemical Society","2006","128","","16971","16979","10.1021/ja0665489","","","0.71073","MO-Kα","","0.069","0.06","","","0.105","0.108","","","","","","1.127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111294","11.2455","0.0003","27.8795","0.0007","13.7974","0.0004","90","","94.1214","0.0009","90","","4314.6","0.2","150","","150","","","","","","","","Synthesis, Abu-Omar Group, Purdue University","7","P 1 21/n 1","-P 2yn","14","","Manganese(III) 5,10,15-tris(pentafluorophenyl)corrole tosyl imide","","- C44 H15 Cr F15 N5 O2 S -","- C44 H15 Cr F15 N5 O2 S -","- C176 H60 Cr4 F60 N20 O8 S4 -","4","1","","Michael J. Zdilla; Mahdi M. Abu-Omar","Mechanism of Catalytic Aziridination with Manganese Corrole: The Often Postulated High-Valent Mn(V) Imido Is Not the Group Transfer Reagent","Journal of the American Chemical Society","2006","128","","16971","16979","10.1021/ja0665489","","","0.71073","MO-Kα","","0.093","0.079","","","0.189","0.197","","","","","","1.114","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111295","49.6188","0.0008","49.6188","0.0008","49.6188","0.0008","90","","90","","90","","122163","3","240","2","240","2","","","","","","","","5","F m -3","-F 2 2 3","202","mesoMOF-1","mesoMOF-1","","- C32 H20 Cu2 N8 O10 -","- C32 H20 Cu2 N8 O10 -","- C768 H480 Cu48 N192 O240 -","24","0.25","","Xi-Sen Wang; Shengqian Ma; Daofeng Sun; Sean Parkin; Hong-Cai Zhou","A Mesoporous Metal-Organic Framework with Permanent Porosity","Journal of the American Chemical Society","2006","128","","16474","16475","10.1021/ja066616r","","","1.54178","CuKα","","0.0975","0.0912","","","0.2558","0.263","","","","","","1.036","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111296","14.0332","0.0003","15.6497","0.0003","16.0239","0.0004","87.837","0.005","74.861","0.005","75.625","0.005","3289.23","0.17","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H66 Cl6 N16 O10 -","- C60 H60 Cl6 N16 O10 -","- C120 H120 Cl12 N32 O20 -","2","1","","Nicolas Giuseppone; Jean-Louis Schmitt; Jean-Marie Lehn","Driven Evolution of a Constitutional Dynamic Library of Molecular Helices Toward the Selective Generation of [2 x 2] Gridlike Arrays under the Pressure of Metal Ion Coordination","Journal of the American Chemical Society","2006","128","","16748","16763","10.1021/ja0666452","","","0.71073","Mo-Kα","","0.165","0.093","","0.228","","0.124","","","1.285","","","1.068","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111297","8.3996","0.0002","13.3132","0.0003","14.1796","0.0004","90","","90","","90","","1585.64","0.07","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N5 O -","- C18 H17 N5 O -","- C72 H68 N20 O4 -","4","1","","Nicolas Giuseppone; Jean-Louis Schmitt; Jean-Marie Lehn","Driven Evolution of a Constitutional Dynamic Library of Molecular Helices Toward the Selective Generation of [2 x 2] Gridlike Arrays under the Pressure of Metal Ion Coordination","Journal of the American Chemical Society","2006","128","","16748","16763","10.1021/ja0666452","","","0.71073","Mo-Kα","","0.075","0.042","","0.1","","0.055","","","1.937","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111298","9.058","0.0001","11.47","0.0002","29.733","0.0004","90","","90","","90","","3089.12","0.08","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 F6 N8 O6 S2 -","- C26 H24 F6 N8 O6 S2 -","- C104 H96 F24 N32 O24 S8 -","4","1","","Nicolas Giuseppone; Jean-Louis Schmitt; Jean-Marie Lehn","Driven Evolution of a Constitutional Dynamic Library of Molecular Helices Toward the Selective Generation of [2 x 2] Gridlike Arrays under the Pressure of Metal Ion Coordination","Journal of the American Chemical Society","2006","128","","16748","16763","10.1021/ja0666452","","","0.71073","MoKα","","0.0807","0.0499","","","0.1008","0.1128","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111299","13.84","0.001","15.084","0.001","16.308","0.001","82.84","0.05","70.59","0.05","75.03","0.05","3099.2","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H49 Cl9 N14 O3 -","- C60 H49 Cl9 N14 O3 -","- C120 H98 Cl18 N28 O6 -","2","1","","Nicolas Giuseppone; Jean-Louis Schmitt; Jean-Marie Lehn","Driven Evolution of a Constitutional Dynamic Library of Molecular Helices Toward the Selective Generation of [2 x 2] Gridlike Arrays under the Pressure of Metal Ion Coordination","Journal of the American Chemical Society","2006","128","","16748","16763","10.1021/ja0666452","","","0.7107","MoKα","","0.1749","0.0866","","","0.2108","0.2568","","","","","","1.031","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111300","21.708","0.004","25.104","0.005","7.7259","0.0015","90","","98.32","0.03","90","","4166","1.4","173","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H51 Mn3 N6 O10 -","- C40 H51 Mn3 N6 O10 -","- C160 H204 Mn12 N24 O40 -","4","1","","Yue-Ling Bai; Jun Tao; Wolfgang Wernsdorfer; Osamu Sato; Rong-Bin Huang; Lan-Sun Zheng","Coexistence of Magnetization Relaxation and Dielectric Relaxation in a Single-Chain Magnet","Journal of the American Chemical Society","2006","128","","16428","16429","10.1021/ja066679+","","","0.71073","MoKα","","0.0601","0.0386","","","0.0768","0.0838","","","","","","0.904","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111301","17.574","0.003","17.997","0.004","14.526","0.003","90","","108.57","0.03","90","","4355.1","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 Cl Mn3 N6 O9 -","- C40 H54 Cl Mn3 N6 O9 -","- C160 H216 Cl4 Mn12 N24 O36 -","4","1","","Yue-Ling Bai; Jun Tao; Wolfgang Wernsdorfer; Osamu Sato; Rong-Bin Huang; Lan-Sun Zheng","Coexistence of Magnetization Relaxation and Dielectric Relaxation in a Single-Chain Magnet","Journal of the American Chemical Society","2006","128","","16428","16429","10.1021/ja066679+","","","0.71073","MoKα","","0.113","0.0896","","","0.2087","0.2246","","","","","","1.191","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111302","5.5911","0.0011","7.3687","0.0015","41.52","0.008","90","","90","","90","","1710.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Br N3 O2 -","- C18 H20 Br N3 O2 -","- C72 H80 Br4 N12 O8 -","4","1","","Masanori Kawasaki; Hisashi Yamamoto","Catalytic Enantioselective Hetero-Diels-Alder Reactions of an Azo Compound","Journal of the American Chemical Society","2006","128","","16482","16483","10.1021/ja066726y","","","0.71073","MoKα","","0.0372","0.0323","","","0.0711","0.0722","","","","","","1.059","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111303","25.3119","0.0002","15.0979","0.0001","39.4098","0.0003","90","","95.1949","0.0004","90","","14998.8","0.19","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C128 H56 Dy3 N5 Ni -","- C128 H53 Dy2.99 N5 Ni -","- C1024 H424 Dy23.92 N40 Ni8 -","8","1","","Shangfeng Yang; Sergey I. Troyanov; Alexey A. Popov; Matthias Krause; Lothar Dunsch","Deviation from the Planaritya Large Dy3N Cluster Encapsulated in an Ih-C80 Cage: An X-ray Crystallographic and Vibrational Spectroscopic Study","Journal of the American Chemical Society","2006","128","","16733","16739","10.1021/ja066814i","","","0.91","synchrotron","","0.0951","0.0864","","","0.2259","0.2383","","","","","","1.048","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111304","13.0285","0.0017","13.5119","0.0018","17.081","0.002","91.075","0.002","104.632","0.002","100.299","0.002","2856.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H51 Cl2 N9 O8 P2 Pt2 -","- C59 H51 Cl2 N9 O8 P2 Pt2 -","- C118 H102 Cl4 N18 O16 P4 Pt4 -","2","1","","Chi-Kin Koo; Benny Lam; Sze-Kar Leung; Michael Hon-Wah Lam; Wai-Yeung Wong","A ""Molecular Pivot-Hinge"" Based on the pH-Regulated Intramolecular Switching of Pt-Pt and π-π Interactions","Journal of the American Chemical Society","2006","128","","16434","16435","10.1021/ja066914o","","","0.71073","MoKα","","0.0534","0.0313","","","0.0652","0.0727","","","","","","0.987","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111305","12.3775","0.0009","16.5897","0.0012","26.2897","0.0019","90","","102.057","0.001","90","","5279.2","0.7","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C59 H52 N6 O2 P2 Pt2 -","- C59 H52 N6 O2 P2 Pt2 -","- C236 H208 N24 O8 P8 Pt8 -","4","1","","Chi-Kin Koo; Benny Lam; Sze-Kar Leung; Michael Hon-Wah Lam; Wai-Yeung Wong","A ""Molecular Pivot-Hinge"" Based on the pH-Regulated Intramolecular Switching of Pt-Pt and π-π Interactions","Journal of the American Chemical Society","2006","128","","16434","16435","10.1021/ja066914o","","","0.71073","MoKα","","0.0326","0.0319","","","0.0794","0.0797","","","","","","1.097","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111306","16.4996","0.0004","17.5151","0.0004","39.0416","0.0009","90","","90","","90","","11282.7","0.5","93.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C114 H121 F8 Gd3 N6 O20 P4 -","- C114 H117 F8 Gd3 N6 O20 P4 -","- C456 H468 F32 Gd12 N24 O80 P16 -","4","1","","Ikuo Fujimori; Tsuyoshi Mita; Keisuke Maki; Motoo Shiro; Akihiro Sato; Sanae Furusho; Motomu Kanai; Masakatsu Shibasaki","Key Role of the Lewis Base Position in Asymmetric Bifunctional Catalysis: Design and Evaluation of a New Ligand for Chiral Polymetallic Catalysts","Journal of the American Chemical Society","2006","128","","16438","16439","10.1021/ja067003h","","","0.71075","MoKα","","","0.0326","","","","0.0594","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111307","17.764","0.002","19.503","0.003","23.44","0.004","82.04","0.01","71.83","0.01","67.93","0.01","7148.4","1.9","93.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C150.5 H208 S10 -","- C150.5 H184 S10 -","- C301 H368 S20 -","2","1","","Kazumi Nakao; Masayuki Nishimura; Tomoya Tamachi; Yoshiyuki Kuwatani; Hitoshi Miyasaka; Tohru Nishinaga; Masahiko Iyoda","Giant Macrocycles Composed of Thiophene, Acetylene, and Ethylene Building Blocks","Journal of the American Chemical Society","2006","128","","16740","16747","10.1021/ja067077t","","","0.7107","MoKα","","","0.1349","","","","0.2967","","","","","","1.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111308","13.03","0.002","28.034","0.005","12.037","0.003","92.382","0.018","91.375","0.017","87.532","0.014","4388","1.5","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C98 H118 S6 -","- C98 H118 S6 -","- C196 H236 S12 -","2","1","","Kazumi Nakao; Masayuki Nishimura; Tomoya Tamachi; Yoshiyuki Kuwatani; Hitoshi Miyasaka; Tohru Nishinaga; Masahiko Iyoda","Giant Macrocycles Composed of Thiophene, Acetylene, and Ethylene Building Blocks","Journal of the American Chemical Society","2006","128","","16740","16747","10.1021/ja067077t","","","0.71069","MoKα","","0.1894","0.0505","","","0.138","0.1888","","","","","","0.917","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111309","10.357","0.001","11.475","0.0016","14.484","0.002","74.02","0.007","88.427","0.005","71.392","0.005","1564.9","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H46 O7 Si -","- C32 H46 O7 Si -","- C64 H92 O14 Si2 -","2","1","","Hiroyuki Kusama; Yuji Onizawa; Nobuharu Iwasawa","W(CO)5(L)-Catalyzed Tandem Intramolecular Cyclopropanation/Cope Rearrangement for the Stereoselective Construction of Bicyclo[5.3.0]decane Framework","Journal of the American Chemical Society","2006","128","","16500","16501","10.1021/ja0671924","","x-ray","0.71073","MoKα","","0.0402","0.0361","","","0.0961","0.1007","","","","","","1.038","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111310","8.972","0.002","16.972","0.005","19.938","0.007","90","","93.758","0.013","90","","3029.5","1.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H46 O5 Si -","- C33 H46 O5 Si -","- C132 H184 O20 Si4 -","4","1","","Hiroyuki Kusama; Yuji Onizawa; Nobuharu Iwasawa","W(CO)5(L)-Catalyzed Tandem Intramolecular Cyclopropanation/Cope Rearrangement for the Stereoselective Construction of Bicyclo[5.3.0]decane Framework","Journal of the American Chemical Society","2006","128","","16500","16501","10.1021/ja0671924","","","0.71075","MoKα","","0.0684","0.0556","","","0.131","0.1364","","","","","","1.039","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111311","11.173","0.016","12.582","0.018","21.63","0.03","79.19","0.05","81.02","0.06","77.41","0.06","2894","7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H42 O5 Si -","- C30 H42 O5 Si -","- C120 H168 O20 Si4 -","4","2","","Hiroyuki Kusama; Yuji Onizawa; Nobuharu Iwasawa","W(CO)5(L)-Catalyzed Tandem Intramolecular Cyclopropanation/Cope Rearrangement for the Stereoselective Construction of Bicyclo[5.3.0]decane Framework","Journal of the American Chemical Society","2006","128","","16500","16501","10.1021/ja0671924","","","0.71075","MoKα","","0.0628","0.0531","","","0.1562","0.1645","","","","","","1.07","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111312","9.338","0.0019","11.847","0.002","17.238","0.003","79.13","0.03","76","0.03","73.19","0.03","1756.8","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H64 O P2 Pd -","- C34 H64 O P2 Pd -","- C68 H128 O2 P4 Pd2 -","2","1","","Elena Poverenov; Gregory Leitus; David Milstein","Synthesis and Reactivity of the Methylene Arenium Form of a Benzyl Cation, Stabilized by Complexation","Journal of the American Chemical Society","2006","128","","16450","16451","10.1021/ja067298z","","","0.71073","MoKα","","0.0389","0.034","","","0.0772","0.0787","","","","","","1.138","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111313","10.963","0.002","13.76","0.003","13.558","0.003","90","","103.21","0.03","90","","1991.1","0.8","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H67 F3 O4 P2 Pd S -","- C36 H67 F3 O4 P2 Pd S -","- C72 H134 F6 O8 P4 Pd2 S2 -","2","1","","Elena Poverenov; Gregory Leitus; David Milstein","Synthesis and Reactivity of the Methylene Arenium Form of a Benzyl Cation, Stabilized by Complexation","Journal of the American Chemical Society","2006","128","","16450","16451","10.1021/ja067298z","","","0.71073","MoKα","","0.0385","0.0339","","","0.0798","0.0823","","","","","","1.079","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111314","15.6756","0.0005","6.9546","0.0003","21.4312","0.0009","90","","90.784","0.002","90","","2336.16","0.16","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H26 N2 O4 -","- C27 H26 N2 O4 -","- C108 H104 N8 O16 -","4","2","","Venukrishnan Komanduri; Michael J. Krische","Enantioselective Reductive Coupling of 1,3-Enynes to Heterocyclic Aromatic Aldehydes and Ketones via Rhodium-Catalyzed Asymmetric Hydrogenation: Mechanistic Insight into the Role of Brønsted Acid Additives","Journal of the American Chemical Society","2006","128","","16448","16449","10.1021/ja0673027","","","0.71073","MoKα","","0.0602","0.0455","","","0.1086","0.1162","","","","","","1.029","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111315","7.2621","0.0004","12.6215","0.0009","10.0493","0.0005","90","","112.728","0.0015","90","","849.58","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F6 N2 O2 -","- C20 H16 F6 N2 O2 -","- C40 H32 F12 N4 O4 -","2","0.5","","Hideki Okamoto; Kyosuke Satake; Hiroyuki Ishida; Masaru Kimura","Photoreaction of a 2,11-Diaza[3.3]paracyclophane Derivative: Formation of Octahedrane by Photochemical Dimerization of Benzene","Journal of the American Chemical Society","2006","128","","16508","16509","10.1021/ja067350r","","","0.71075","MoKα","","0.0615","0.0474","","","0.1199","0.1293","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111316","16.674","0.005","16.969","0.006","17.087","0.006","63.155","0.008","87.8","0.011","77.837","0.014","4208","2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C180 H148 I2 K6 N12 O24 U4 -","- C180 H148 I2 K6 N12 O24 U4 -","- C180 H148 I2 K6 N12 O24 U4 -","1","0.5","","Fabien Burdet; Jacques Pécaut; Marinella Mazzanti","Isolation of a Tetrameric Cation-Cation Complex of Pentavalent Uranyl","Journal of the American Chemical Society","2006","128","","16512","16513","10.1021/ja067445t","","","0.71073","MoKα","","0.1138","0.0779","","","0.194","0.2267","","","","","","0.991","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111317","7.9224","0.0002","16.4652","0.0005","9.3242","0.0002","90","","96.618","0.002","90","","1208.18","0.05","153","2","153","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C29 H27 Cl N2 O2 -","- C29 H27 Cl N2 O2 -","- C58 H54 Cl2 N4 O4 -","2","0.5","","Matthew D. Sanderson; Justin W. Kamplain; Christopher W. Bielawski","Quinone-Annulated N-Heterocyclic Carbene-Transition-Metal Complexes: Observation of π-Backbonding Using FT-IR Spectroscopy and Cyclic Voltammetry","Journal of the American Chemical Society","2006","128","","16514","16515","10.1021/ja067475w","","","0.71073","MoKα","","0.0659","0.0463","","","0.1042","0.1124","","","","","","1.04","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111318","11.983","0.001","13.063","0.002","14.646","0.002","90","","90","","90","","2292.6","0.5","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 N2 O2 -","- C29 H26 N2 O2 -","- C116 H104 N8 O8 -","4","1","","Matthew D. Sanderson; Justin W. Kamplain; Christopher W. Bielawski","Quinone-Annulated N-Heterocyclic Carbene-Transition-Metal Complexes: Observation of π-Backbonding Using FT-IR Spectroscopy and Cyclic Voltammetry","Journal of the American Chemical Society","2006","128","","16514","16515","10.1021/ja067475w","","","0.71073","MoKα","","0.1258","0.0632","","","0.1264","0.1541","","","","","","1.041","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111319","23.6307","0.0002","9.7837","0.0004","17.1251","0.0005","90","","90","","90","","3959.2","0.2","153","2","153","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C38 H39 Cl4 N2 O2 Rh -","- C38 H39 Cl4 N2 O2 Rh -","- C152 H156 Cl16 N8 O8 Rh4 -","4","0.5","","Matthew D. Sanderson; Justin W. Kamplain; Christopher W. Bielawski","Quinone-Annulated N-Heterocyclic Carbene-Transition-Metal Complexes: Observation of π-Backbonding Using FT-IR Spectroscopy and Cyclic Voltammetry","Journal of the American Chemical Society","2006","128","","16514","16515","10.1021/ja067475w","","","0.71073","MoKα","","0.0648","0.0468","","","0.1149","0.1239","","","","","","1.055","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111320","19.196","0.0007","19.196","0.0007","15.0434","0.0005","90","","90","","90","","5543.3","0.3","233","2","233","2","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C31 H30 Ag Cl N2 O2.5 -","- C29 H26 Ag Cl N2 O2 -","- C232 H208 Ag8 Cl8 N16 O16 -","8","0.5","","Matthew D. Sanderson; Justin W. Kamplain; Christopher W. Bielawski","Quinone-Annulated N-Heterocyclic Carbene-Transition-Metal Complexes: Observation of π-Backbonding Using FT-IR Spectroscopy and Cyclic Voltammetry","Journal of the American Chemical Society","2006","128","","16514","16515","10.1021/ja067475w","","","0.71073","MoKα","","0.0504","0.0365","","","0.0699","0.0741","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111321","16.4202","0.0004","16.6353","0.0003","19.0681","0.0004","90","","90.5665","0.0009","90","","5208.29","0.19","273.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H50 O3 P2 Ru -","- C55 H50 O3 P2 Ru -","- C220 H200 O12 P8 Ru4 -","4","1","","Satoshi Ueno; Eiichiro Mizushima; Naoto Chatani; Fumitoshi Kakiuchi","Direct Observation of the Oxidative Addition of the Aryl Carbon-Oxygen Bond to a Ruthenium Complex and Consideration of the Relative Reactivity between Aryl Carbon-Oxygen and Aryl Carbon-Hydrogen Bonds","Journal of the American Chemical Society","2006","128","","16516","16517","10.1021/ja067612p","","","0.7107","MoKα","","","0.0692","","","","0.1115","","","","","","1.724","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111322","19.3678","0.0005","25.611","0.0007","16.8824","0.0004","90","","110.106","0.003","90","","7863.8","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H53 N6 O6 P -","- C40 H53 N6 O6 P -","- C320 H424 N48 O48 P8 -","8","2","","Jonathan L. Sessler; Dong-Gyu Cho; Vincent Lynch","Diindolylquinoxalines: Effective Indole-Based Receptors for Phosphate Anion","Journal of the American Chemical Society","2006","128","","16518","16519","10.1021/ja067720b","","","0.71073","MoKα","","0.2211","0.0843","","","0.1522","0.1987","","","","","","1.057","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111323","10.425","0.002","16.352","0.004","19.299","0.004","74.687","0.004","82.887","0.005","78.48","0.005","3100.4","1.2","173","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H12 Mn4 N36 O15 -","- C84 H12 Mn4 N36 O15 -","- C84 H12 Mn4 N36 O15 -","1","0.5","","Mircea Dincǎ; Anta F. Yu; Jeffrey R. Long","Microporous Metal-Organic Frameworks Incorporating 1,4-Benzeneditetrazolate: Syntheses, Structures, and Hydrogen Storage Properties [J. Am. Chem. Soc.2006,128, 8904-8913].","Journal of the American Chemical Society","2006","128","","17153","17153","10.1021/ja068019a","","","0.775","synchrotron","","0.2074","0.1312","","","0.324","0.366","","","","","","0.964","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111324","22.249","0.002","7.0528","0.0008","13.5747","0.0015","90","","90","","90","","2130.1","0.4","173","2","173","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C23 H8 Cu2 N18 O8 -","- C23 H8 Cu2 N18 O8 -","- C46 H16 Cu4 N36 O16 -","2","0.125","","Mircea Dincǎ; Anta F. Yu; Jeffrey R. Long","Microporous Metal-Organic Frameworks Incorporating 1,4-Benzeneditetrazolate: Syntheses, Structures, and Hydrogen Storage Properties [J. Am. Chem. Soc.2006,128, 8904-8913].","Journal of the American Chemical Society","2006","128","","17153","17153","10.1021/ja068019a","","","0.775","Synchrotron","","0.0745","0.0686","","","0.1966","0.2015","","","","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111325","7.8384","0.0004","7.8384","0.0004","27.668","0.003","90","","90","","120","","1472.19","0.19","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C20 H20 Cl2 O Zr2 -","- C20 H20 Cl2 O Zr2 -","- C60 H60 Cl6 O3 Zr6 -","3","0.5","","Jared T. Spletstoser; Jonathan M. White; Ashok Rao Tunoori; Gunda I. Georg","Mild and Selective Hydrozirconation of Amides to Aldehydes Using Cp2Zr(H)Cl: Scope and Mechanistic Insight","Journal of the American Chemical Society","2007","129","","3408","3419","10.1021/ja066362+","","","0.71073","MoKα","","0.0289","0.0281","","","0.0704","0.0709","","","","","","1.078","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111326","25.2024","0.0008","15.4733","0.0005","19.9878","0.0007","90","","92.545","0.001","90","","7786.8","0.4","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Tb3N@C86.NiOEP.3benzene","","","- C134 H56 N5 Ni Tb3 -","- C134 H56 N5 Ni Tb2.994 -","- C536 H224 N20 Ni4 Tb11.976 -","4","0.5","","Tianming Zuo; Christine M. Beavers; James C. Duchamp; Anne Campbell; Harry C. Dorn; Marilyn M. Olmstead; Alan L. Balch","Isolation and Structural Characterization of a Family of Endohedral Fullerenes Including the Large, Chiral Cage Fullerenes Tb3N@C88 and Tb3N@C86 as well as the Ih and D5h Isomers of Tb3N@C80","Journal of the American Chemical Society","2007","129","","2035","2043","10.1021/ja066437+","","","0.71073","MoKα","","0.0728","0.0539","","","0.129","0.1413","","","","","","1.054","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111327","25.2505","0.0007","15.1262","0.0004","19.7335","0.0005","90","","95.438","0.003","90","","7503.2","0.3","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Tb3N@C80(D5h).NiOEP.2benzene","","","- C128 H56 N5 Ni Tb3 -","- C130 H56 N5 Ni Tb2.9992 -","- C520 H224 N20 Ni4 Tb11.9968 -","4","0.5","","Tianming Zuo; Christine M. Beavers; James C. Duchamp; Anne Campbell; Harry C. Dorn; Marilyn M. Olmstead; Alan L. Balch","Isolation and Structural Characterization of a Family of Endohedral Fullerenes Including the Large, Chiral Cage Fullerenes Tb3N@C88 and Tb3N@C86 as well as the Ih and D5h Isomers of Tb3N@C80","Journal of the American Chemical Society","2007","129","","2035","2043","10.1021/ja066437+","","","0.71073","MoKα","","0.0972","0.0794","","","0.2183","0.2343","","","","","","1.089","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111328","25.3036","0.0008","15.0584","0.0005","39.3947","0.0013","90","","95.203","0.001","90","","14948.8","0.8","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Tb3N@C80(Ih).NiOEP.2benzene","","","- C128 H56 N5 Ni Tb3 -","- C128 H56 N5 Ni Tb3 -","- C1024 H448 N40 Ni8 Tb24 -","8","1","","Tianming Zuo; Christine M. Beavers; James C. Duchamp; Anne Campbell; Harry C. Dorn; Marilyn M. Olmstead; Alan L. Balch","Isolation and Structural Characterization of a Family of Endohedral Fullerenes Including the Large, Chiral Cage Fullerenes Tb3N@C88 and Tb3N@C86 as well as the Ih and D5h Isomers of Tb3N@C80","Journal of the American Chemical Society","2007","129","","2035","2043","10.1021/ja066437+","","","0.71073","MoKα","","0.0539","0.0349","","","0.0763","0.0825","","","","","","1.043","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111329","14.99","0.003","16.795","0.003","18.408","0.003","77.94","0.003","76.268","0.003","65.161","0.003","4053.9","1.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Tb3N@(D2-35)C88.NiOEP.2.5benzene","","","- C139 H59 N5 Ni Tb3 -","- C139 H59 N5 Ni Tb3 -","- C278 H118 N10 Ni2 Tb6 -","2","1","","Tianming Zuo; Christine M. Beavers; James C. Duchamp; Anne Campbell; Harry C. Dorn; Marilyn M. Olmstead; Alan L. Balch","Isolation and Structural Characterization of a Family of Endohedral Fullerenes Including the Large, Chiral Cage Fullerenes Tb3N@C88 and Tb3N@C86 as well as the Ih and D5h Isomers of Tb3N@C80","Journal of the American Chemical Society","2007","129","","2035","2043","10.1021/ja066437+","","","0.71073","MoKα","","0.1138","0.0555","","","0.1126","0.1209","","","","","","0.836","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111330","7.7608","0.0003","13.4612","0.0004","23.7464","0.0007","90","","90","","90","","2480.78","0.14","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 O2 -","- C29 H38 O2 -","- C116 H152 O8 -","4","1","","Yu-Jun Zhao; Shu-Sin Chng; Teck-Peng Loh","Lewis Acid-Promoted Intermolecular Acetal-Initiated Cationic Polyene Cyclizations","Journal of the American Chemical Society","2007","129","","492","493","10.1021/ja067660+","","","0.71073","MoKα","","0.0643","0.0425","","","0.111","0.1335","","","","","","1.09","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111331","8.8496","0.0006","10.7161","0.0006","19.1133","0.0012","90","","90","","90","","1812.6","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O4 S -","- C20 H19 N O4 S -","- C80 H76 N4 O16 S4 -","4","1","","Liansuo Zu; Jian Wang; Hao Li; Hexin Xie; Wei Jiang; Wei Wang","Cascade Michael-Aldol Reactions Promoted by Hydrogen Bonding Mediated Catalysis","Journal of the American Chemical Society","2007","129","","1036","1037","10.1021/ja067781+","","","0.71073","MoKα","","0.0381","0.032","","","0.0842","0.0895","","","","","","1.075","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111332","14.5548","0.0003","5.8943","0.0002","20.2866","0.0006","90","","103.128","0.001","90","","1694.91","0.08","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Barbora Bajtos; Ming Yu; Hongda Zhao; Brian L. Pagenkopf","C-2/C-3 Annulation and C-2 Alkylation of Indoles with 2-Alkoxycyclopropanoate Esters","Journal of the American Chemical Society","2007","129","","9631","9634","10.1021/ja067821+","","","0.71073","MoKα","","0.1037","0.0465","","","0.107","0.1276","","","","","","1.003","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111333","12.3471","0.0005","5.4389","0.0002","12.4747","0.0005","90","","95.172","0.003","90","","834.32","0.06","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 I N O3 -","- C17 H20 I N O3 -","- C34 H40 I2 N2 O6 -","2","1","","Barbora Bajtos; Ming Yu; Hongda Zhao; Brian L. Pagenkopf","C-2/C-3 Annulation and C-2 Alkylation of Indoles with 2-Alkoxycyclopropanoate Esters","Journal of the American Chemical Society","2007","129","","9631","9634","10.1021/ja067821+","","","0.7107","MoKα","","0.0529","0.0457","","","0.1086","0.1138","","","","","","1.156","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111334","30.5704","0.001","16.5037","0.0005","9.4954","0.0003","90","","94.119","0.002","90","","4778.3","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C204 H252 N12 O48 -","12","3","","Barbora Bajtos; Ming Yu; Hongda Zhao; Brian L. Pagenkopf","C-2/C-3 Annulation and C-2 Alkylation of Indoles with 2-Alkoxycyclopropanoate Esters","Journal of the American Chemical Society","2007","129","","9631","9634","10.1021/ja067821+","","","0.71073","MoKα","","0.127","0.0672","","","0.1667","0.2055","","","","","","1.025","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111335","8.5625","0.0002","8.6438","0.0002","19.5105","0.0007","85.69","0.002","78.443","0.002","65.331","0.002","1285.57","0.07","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","2","","Barbora Bajtos; Ming Yu; Hongda Zhao; Brian L. Pagenkopf","C-2/C-3 Annulation and C-2 Alkylation of Indoles with 2-Alkoxycyclopropanoate Esters","Journal of the American Chemical Society","2007","129","","9631","9634","10.1021/ja067821+","","","0.71073","MoKα","","0.1552","0.0536","","","0.105","0.1354","","","","","","0.977","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111336","27.3241","0.0004","13.5169","0.0002","24.5145","0.0004","90","","116.008","0.0007","90","","8137.2","0.2","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13.33 H15 N1.67 O5 -","- C17 H19 N O -","- C408 H456 N24 O24 -","24","3","","Barbora Bajtos; Ming Yu; Hongda Zhao; Brian L. Pagenkopf","C-2/C-3 Annulation and C-2 Alkylation of Indoles with 2-Alkoxycyclopropanoate Esters","Journal of the American Chemical Society","2007","129","","9631","9634","10.1021/ja067821+","","","0.71073","MoKα","","0.1368","0.0498","","","0.0832","0.0947","","","","","","1.269","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111337","7.091","0.003","24.868","0.012","12.256","0.006","90","","102.575","0.005","90","","2109.4","1.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,2-bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene (23%) and 1,2-bis(5-methyl-2-phenyl-4-thiazolyl)perfluorocyclopentene (77%)","","- C25.46 H16.46 F6 N1.54 S2 -","- C25.34 H16.34 F6 N1.66 S2 -","- C101.36 H65.36 F24 N6.64 S8 -","4","1","","Shizuka Takami; Lumi Kuroki; Masahiro Irie","Photochromism of Mixed Crystals Containing Bisthienyl-, Bisthiazolyl-, and Bisoxazolylethene Derivatives","Journal of the American Chemical Society","2007","129","","7319","7326","10.1021/ja068786+","","","0.71073","MoKα","","0.0953","0.071","","","0.1649","0.1775","","","","","","1.104","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111338","11.808","0.003","13.568","0.003","14.917","0.003","81.763","0.003","82.255","0.003","82.303","0.003","2327.6","0.9","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","1,2-bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene (73%) and 1,2-bis(5-methyl-2-phenyl-4-thiazolyl)perfluorocyclopentene (27%)","","- C26.46 H17.46 F6 N0.54 S2 -","- C26.372 H17.372 F6 N0.628 S2 -","- C105.488 H69.488 F24 N2.512 S8 -","4","2","","Shizuka Takami; Lumi Kuroki; Masahiro Irie","Photochromism of Mixed Crystals Containing Bisthienyl-, Bisthiazolyl-, and Bisoxazolylethene Derivatives","Journal of the American Chemical Society","2007","129","","7319","7326","10.1021/ja068786+","","","0.71073","MoKα","","0.0743","0.0444","","","0.0975","0.1105","","","","","","1.038","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111339","7.288","0.003","25.792","0.01","12.586","0.005","90","","102.519","0.006","90","","2309.6","1.6","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,2-bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene (32%) and 1,2-bis(5-methyl-2-phenyl-4-thiazolyl)perfluorocyclopentene (53%) and 1,2-bis(5-methyl-2-phenyl-4-oxazolyl)perfluorocyclopentene (15%)","","- C25.63 H16.63 F6 N1.37 O0.3 S1.7 -","- C25.624 H16.624 F6 N1.376 O0.426 S1.574 -","- C102.496 H66.496 F24 N5.504 O1.704 S6.296 -","4","1","","Shizuka Takami; Lumi Kuroki; Masahiro Irie","Photochromism of Mixed Crystals Containing Bisthienyl-, Bisthiazolyl-, and Bisoxazolylethene Derivatives","Journal of the American Chemical Society","2007","129","","7319","7326","10.1021/ja068786+","","","0.71073","MoKα","","0.1397","0.0724","","","0.1489","0.1694","","","","","","1.306","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111340","7.362","0.0012","26.25","0.004","12.701","0.002","90","","103.271","0.002","90","","2389","0.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Photoirradiated mixed crystal (1,2-bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene (20%) and 1,2-bis(5-methyl-2-phenyl-4-thiazolyl)perfluorocyclopentene (80%))","","- C25.4 H16.4 F6 N1.6 S2 -","- C25.46 H16.46 F6 N1.54 S2 -","- C101.84 H65.84 F24 N6.16 S8 -","4","1","","Shizuka Takami; Lumi Kuroki; Masahiro Irie","Photochromism of Mixed Crystals Containing Bisthienyl-, Bisthiazolyl-, and Bisoxazolylethene Derivatives","Journal of the American Chemical Society","2007","129","","7319","7326","10.1021/ja068786+","","","0.71073","MoKα","","0.1906","0.0521","","","0.1264","0.1973","","","","","","0.82","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111341","9.1824","0.0004","10.6533","0.0005","13.0707","0.0006","90","","90","","90","","1278.61","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 O3 -","- C13 H22 O3 -","- C52 H88 O12 -","4","1","","Rongbiao Tong; Jason C. Valentine; Frank E. McDonald; Rui Cao; Xikui Fang; Kenneth I. Hardcastle","Total Syntheses of Durgamone, Nakorone, and Abudinol B via Biomimetic Oxa- and Carbacyclizations","Journal of the American Chemical Society","2007","129","","1050","1051","10.1021/ja068826+","","","1.54178","CuKα\","","0.0503","0.0377","","","0.0876","0.1045","","","","","","1.064","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111342","7.1883","0.0005","9.8601","0.0007","23.4975","0.0016","90","","90","","90","","1665.4","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O2 -","- C19 H30 O2 -","- C76 H120 O8 -","4","1","","Rongbiao Tong; Jason C. Valentine; Frank E. McDonald; Rui Cao; Xikui Fang; Kenneth I. Hardcastle","Total Syntheses of Durgamone, Nakorone, and Abudinol B via Biomimetic Oxa- and Carbacyclizations","Journal of the American Chemical Society","2007","129","","1050","1051","10.1021/ja068826+","","","1.54178","CuKα","","0.0344","0.0322","","","0.0761","0.0774","","","","","","1.083","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111343","13.008","0.002","7.6273","0.0011","22.235","0.003","90","","106.982","0.003","90","","2109.9","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","bis-silyl ether of abudinol","","","- C39 H72 O4 Si2 -","- C39 H72 O4 Si2 -","- C78 H144 O8 Si4 -","2","1","","Rongbiao Tong; Jason C. Valentine; Frank E. McDonald; Rui Cao; Xikui Fang; Kenneth I. Hardcastle","Total Syntheses of Durgamone, Nakorone, and Abudinol B via Biomimetic Oxa- and Carbacyclizations","Journal of the American Chemical Society","2007","129","","1050","1051","10.1021/ja068826+","","","0.71073","MoKα","","0.1065","0.0887","","","0.2032","0.2156","","","","","","1.051","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111344","18.0285","0.0003","16.6735","0.0003","21.7549","0.0004","90","","90","","90","","6539.5","0.2","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H31 Cl2 O P2 Re -","- C36 H31 Cl2 O P2 Re -","- C288 H248 Cl16 O8 P16 Re8 -","8","1","","Guodong Du; Phillip E. Fanwick; Mahdi M. Abu-Omar","Mechanistic Insight into Hydrosilylation Reactions Catalyzed by High Valent Re\τbX (X = O, NAr, or N) Complexes: The Silane (SiH) Does Not Add across the Metal-Ligand Multiple Bond","Journal of the American Chemical Society","2007","129","","5180","5187","10.1021/ja068872+","","","0.71073","MO-Kα","","0.092","0.055","","","0.146","0.163","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111345","15.368","0.0003","19.168","0.0003","15.9227","0.0004","90","","103.293","0.0007","90","","4564.74","0.16","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H51 Cl2 N P2 Re -","- C54 H51 Cl2 N P2 Re -","- C216 H204 Cl8 N4 P8 Re4 -","4","1","","Guodong Du; Phillip E. Fanwick; Mahdi M. Abu-Omar","Mechanistic Insight into Hydrosilylation Reactions Catalyzed by High Valent Re\τbX (X = O, NAr, or N) Complexes: The Silane (SiH) Does Not Add across the Metal-Ligand Multiple Bond","Journal of the American Chemical Society","2007","129","","5180","5187","10.1021/ja068872+","","","0.71073","MO-Kα","","0.082","0.042","","","0.069","0.075","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111346","11.8396","0.0005","12.8071","0.0005","13.6137","0.0007","72.664","0.002","76.118","0.002","70.558","0.002","1835.27","0.14","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H42 Cl3 N2 P Re -","- C39 H42 Cl3 N2 P Re -","- C78 H84 Cl6 N4 P2 Re2 -","2","1","","Guodong Du; Phillip E. Fanwick; Mahdi M. Abu-Omar","Mechanistic Insight into Hydrosilylation Reactions Catalyzed by High Valent Re\τbX (X = O, NAr, or N) Complexes: The Silane (SiH) Does Not Add across the Metal-Ligand Multiple Bond","Journal of the American Chemical Society","2007","129","","5180","5187","10.1021/ja068872+","","","0.71073","MO-Kα","","0.041","0.031","","","0.057","0.059","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111347","11.419","0.002","24.83","0.004","30.005","0.004","90","","90","","90","","8507","2","296","1","","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C24 H24 Cu3 N20 O8 W2 -","- C24 H8 Cu3 N20 O8 W2 -","- C192 H64 Cu24 N160 O64 W16 -","8","0.5","","Shin-ichi Ohkoshi; Yoshihide Tsunobuchi; Hitomi Takahashi; Toshiya Hozumi; Motoo Shiro; Kazuhito Hashimoto","Synthesis and Alcohol Vapor Sensitivity of a Ferromagnetic Copper-Tungsten Bimetallic Assembly","Journal of the American Chemical Society","2007","129","","3084","3085","10.1021/ja069353+","","","0.71075","MoKα","","","0.0253","","","","0.0614","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111348","14.761","0.002","25.593","0.004","11.5284","0.0019","90","","90","","90","","4355.2","1.2","90","1","","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C28.5 H24.5 Cu3 N20 O3.75 W2 -","- C28.5 H8 Cu3 N20 O3.75 W2 -","- C114 H32 Cu12 N80 O15 W8 -","4","0.5","","Shin-ichi Ohkoshi; Yoshihide Tsunobuchi; Hitomi Takahashi; Toshiya Hozumi; Motoo Shiro; Kazuhito Hashimoto","Synthesis and Alcohol Vapor Sensitivity of a Ferromagnetic Copper-Tungsten Bimetallic Assembly","Journal of the American Chemical Society","2007","129","","3084","3085","10.1021/ja069353+","","","0.71075","MoKα","","","0.0441","","","","0.1244","","","","","","1.084","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111349","9.2969","0.0009","12.2219","0.0011","15.8158","0.0016","90","","90","","90","","1797.1","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C84 H100 N4 O16 -","4","1","","Douglas C. Beshore; Amos B. Smith","Total Syntheses of (+)-Lyconadin A and (-)-Lyconadin B","Journal of the American Chemical Society","2007","129","","4148","4149","10.1021/ja070336+","","","0.71069","MoKα","","0.0409","0.0386","","","0.0895","0.0912","","","","","","1.078","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111350","9.5676","0.0009","8.9088","0.0007","11.0762","0.0009","90","","108.677","0.001","90","","894.37","0.13","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H29 N O4 -","- C18 H29 N O4 -","- C36 H58 N2 O8 -","2","1","","Douglas C. Beshore; Amos B. Smith","Total Syntheses of (+)-Lyconadin A and (-)-Lyconadin B","Journal of the American Chemical Society","2007","129","","4148","4149","10.1021/ja070336+","","","0.71069","MoKα","","0.0322","0.031","","","0.0773","0.0785","","","","","","1.078","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111351","11.5465","0.0008","16.9259","0.0007","27.4768","0.0015","90","","91.208","0.002","90","","5368.7","0.5","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H20 I N O -","- C13 H20 I N O -","- C208 H320 I16 N16 O16 -","16","8","","Douglas C. Beshore; Amos B. Smith","Total Syntheses of (+)-Lyconadin A and (-)-Lyconadin B","Journal of the American Chemical Society","2007","129","","4148","4149","10.1021/ja070336+","","","0.71069","MoKα","","0.056","0.0504","","","0.1286","0.1369","","","","","","1.039","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111352","9.747","0.002","7.882","0.001","20.522","0.004","90","","102.46","0.002","90","","1539.5","0.5","273.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 O5 -","- C17 H18 O5 -","- C68 H72 O20 -","4","1","","Cole A. Witham; Pablo Mauleón; Nathan D. Shapiro; Benjamin D. Sherry; F. Dean Toste","Gold(I)-Catalyzed Oxidative Rearrangements","Journal of the American Chemical Society","2007","129","","5838","5839","10.1021/ja071231+","","","0.7107","MoKα","","0.0564","0.0397","","0.0534","","0.0509","","","","","","2.288","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111353","9.228","0.003","9.228","0.003","17.826","0.005","90","","90","","120","","1314.6","0.7","213","2","213","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C8 H18 F6 O6 P2 S2 -","- C8 H18 F6 O6 P2 S2 -","- C24 H54 F18 O18 P6 S6 -","3","0.0833333","","Jan J. Weigand; Susanne D. Riegel; Neil Burford; Andreas Decken","Prototypical Phosphorus Analogues of Ethane: General and Versatile Synthetic Approaches to Hexaalkylated P-P Diphosphonium Cations","Journal of the American Chemical Society","2007","129","","7969","7976","10.1021/ja071306+","","x-ray","0.71073","MoKα","","0.0429","0.0391","","","0.0999","0.1061","","","","","","1.381","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111354","15.765","0.006","11.994","0.005","24.584","0.008","90","","114.619","0.005","90","","4226","3","173","1","173","1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C11 H24 F6 O6 P2 S2 -","- C11 H24 F6 O6 P2 S2 -","- C88 H192 F48 O48 P16 S16 -","8","2","","Jan J. Weigand; Susanne D. Riegel; Neil Burford; Andreas Decken","Prototypical Phosphorus Analogues of Ethane: General and Versatile Synthetic Approaches to Hexaalkylated P-P Diphosphonium Cations","Journal of the American Chemical Society","2007","129","","7969","7976","10.1021/ja071306+","","x-ray","0.71073","MoKα","","0.0652","0.04","","","0.0976","0.1177","","","","","","1.047","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111355","8.75","0.003","11.566","0.004","12.245","0.005","88.744","0.006","74.948","0.004","76.431","0.004","1162.3","0.7","198","1","198","1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H30 F6 O6 P2 S2 -","- C14 H30 F6 O6 P2 S2 -","- C28 H60 F12 O12 P4 S4 -","2","1","","Jan J. Weigand; Susanne D. Riegel; Neil Burford; Andreas Decken","Prototypical Phosphorus Analogues of Ethane: General and Versatile Synthetic Approaches to Hexaalkylated P-P Diphosphonium Cations","Journal of the American Chemical Society","2007","129","","7969","7976","10.1021/ja071306+","","x-ray","0.71073","MoKα","","0.0587","0.0479","","","0.1284","0.1413","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111356","17.749","0.002","10.2043","0.0014","14.494","0.002","90","","90","","90","","2625.1","0.6","198","1","198","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H30 Cl8 Ga2 P2 -","- C12 H30 Cl8 Ga2 P2 -","- C48 H120 Cl32 Ga8 P8 -","4","1","","Jan J. Weigand; Susanne D. Riegel; Neil Burford; Andreas Decken","Prototypical Phosphorus Analogues of Ethane: General and Versatile Synthetic Approaches to Hexaalkylated P-P Diphosphonium Cations","Journal of the American Chemical Society","2007","129","","7969","7976","10.1021/ja071306+","","x-ray","0.71073","MoKα","","0.0658","0.0376","","","0.0762","0.0819","","","","","","0.99","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111357","11.585","0.001","20.8836","0.0017","15.2368","0.0012","90","","102.415","0.002","90","","3600.1","0.5","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H33 Li O6 Sn -","- C37 H33 Li O6 Sn -","- C148 H132 Li4 O24 Sn4 -","4","0.5","","Masaichi Saito; Sanae Imaizumi; Tomoyuki Tajima; Kazuya Ishimura; Shigeru Nagase","Synthesis and Structure of Pentaorganostannate Having Five Carbon Substituents","Journal of the American Chemical Society","2007","129","","10974","10975","10.1021/ja072478+","","","0.71069","MoKα","","0.0789","0.067","","","0.139","0.1472","","","","","","1.115","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111358","11.0044","0.0006","16.4067","0.001","11.104","0.0007","90","","95.425","0.001","90","","1995.8","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","(M,S)-3a","","","- C41 H54 Cl N4 O3 P -","- C41 H51 Cl N4 O3 P -","- C82 H102 Cl2 N8 O6 P2 -","2","1","","Daisuke Uraguchi; Sawako Sakaki; Takashi Ooi","Chiral Tetraaminophosphonium Salt-Mediated Asymmetric Direct Henry Reaction","Journal of the American Chemical Society","2007","129","","12392","12393","10.1021/ja075152+","","","0.71073","MoKα","","0.0468","0.0459","","","0.1278","0.1292","","","","","","1.056","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111359","16.84","0.003","16.541","0.004","16.309","0.003","90","","104.57","0.03","90","","4396.8","1.7","101","2","101","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","EuIII complex","","","- C33 H26 Eu F9 N6 O16 S5 -","- C33 H26 Eu F9 N6 O16 S5 -","- C132 H104 Eu4 F36 N24 O64 S20 -","4","0.5","","Ana de Bettencourt-Dias; Subha Viswanathan; Alexandra Rollett","Thiophene-Derivatized Pybox and Its Highly Luminescent Lanthanide Ion Complexes","Journal of the American Chemical Society","2007","129","","15436","15437","10.1021/ja076485+","","","0.71073","MoKα","","0.0547","0.0504","","","0.1335","0.1373","","","","","","1.029","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111360","11.6465","0.0005","15.8356","0.0006","17.1436","0.0007","90","","97.426","0.001","90","","3135.3","0.2","130","2","130","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H52 Co I N O P2 Si2 -","- C22 H52 Co I N O P2 Si2 -","- C88 H208 Co4 I4 N4 O4 P8 Si8 -","4","1","","Michael J. Ingleson; Maren Pink; Hongjun Fan; Kenneth G. Caulton","Redox Chemistry of the Triplet Complex (PNP)CoI","Journal of the American Chemical Society","2008","130","","4262","4276","10.1021/ja074378+","","","0.71073","MoKα","","0.0686","0.0584","","","0.1459","0.1548","","","","","","1.031","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111361","20.64","0.002","10.7583","0.0013","26.665","0.003","90","","111.952","0.003","90","","5491.7","1.1","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H93 Co N O2 P2 Si2 -","- C51 H93 Co N O2 P2 Si2 -","- C204 H372 Co4 N4 O8 P8 Si8 -","4","1","","Michael J. Ingleson; Maren Pink; Hongjun Fan; Kenneth G. Caulton","Redox Chemistry of the Triplet Complex (PNP)CoI","Journal of the American Chemical Society","2008","130","","4262","4276","10.1021/ja074378+","","","0.71073","MoKα","","0.0634","0.0405","","","0.0991","0.1201","","","","","","1.071","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111362","11.6773","0.0015","17.266","0.002","17.258","0.002","90","","106.482","0.004","90","","3336.6","0.7","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H57 Co N2 P2 Si2 -","- C28 H57 Co N2 P2 Si2 -","- C112 H228 Co4 N8 P8 Si8 -","4","1","","Michael J. Ingleson; Maren Pink; Hongjun Fan; Kenneth G. Caulton","Redox Chemistry of the Triplet Complex (PNP)CoI","Journal of the American Chemical Society","2008","130","","4262","4276","10.1021/ja074378+","","","0.71073","MoKα","","0.0538","0.0352","","","0.083","0.0931","","","","","","1.014","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111363","20.5728","0.0015","15.9323","0.0012","22.9015","0.0017","90","","90.072","0.002","90","","7506.5","1","130","2","130","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H60 Co F6 N2 O P3 Si2 -","- C26 H60 Co F6 N2 O P3 Si2 -","- C208 H480 Co8 F48 N16 O8 P24 Si16 -","8","2","","Michael J. Ingleson; Maren Pink; Hongjun Fan; Kenneth G. Caulton","Redox Chemistry of the Triplet Complex (PNP)CoI","Journal of the American Chemical Society","2008","130","","4262","4276","10.1021/ja074378+","","","0.71073","MoKα","","0.0929","0.0586","","","0.1436","0.1742","","","","","","1.044","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111364","6.4403","0.0012","6.8554","0.0012","12.826","0.002","74.611","0.003","78.455","0.003","67.987","0.003","502.95","0.15","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C24 H32 O4 -","2","1","","Jun Yang; Mahender B. Dewal; Salvatore Profeta; Mark D. Smith; Youyong Li; Linda S. Shimizu","Origins of Selectivity for the [2+2] Cycloaddition of α,β-unsaturated Ketones within a Porous Self-assembled Organic Framework","Journal of the American Chemical Society","2008","130","","612","621","10.1021/ja076001+","","","0.71073","MoKα","","0.0502","0.0452","","","0.1183","0.1213","","","","","","1.151","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111365","7.0223","0.0007","6.4259","0.0007","10.9846","0.0011","90","","99.693","0.002","90","","488.6","0.09","150","1","150","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C24 H32 O4 -","2","0.5","","Jun Yang; Mahender B. Dewal; Salvatore Profeta; Mark D. Smith; Youyong Li; Linda S. Shimizu","Origins of Selectivity for the [2+2] Cycloaddition of α,β-unsaturated Ketones within a Porous Self-assembled Organic Framework","Journal of the American Chemical Society","2008","130","","612","621","10.1021/ja076001+","","","0.71073","MoKα","","0.0431","0.04","","","0.1037","0.1068","","","","","","1.062","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111366","8.9389","0.0002","17.1939","0.0002","20.8647","0.0004","90","","95.749","0.0009","90","","3190.66","0.1","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 Fe P2 Si -","- C38 H38 Fe P2 Si -","- C152 H152 Fe4 P8 Si4 -","4","1","","David E. Herbert; Makoto Tanabe; Sara C. Bourke; Alan J. Lough; Ian Manners","Strain-Controlled, Photochemically, or Thermally Promoted Haptotropic Shifts of Cyclopentadienyl Ligands in Group 8 Metallocenophanes","Journal of the American Chemical Society","2008","130","","4166","4176","10.1021/ja077334+","","","0.71073","MoKα","","0.0698","0.0401","","","0.0939","0.1085","","","","","","1.035","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111367","8.4191","0.0006","14.3419","0.0013","16.2224","0.0011","90","","94.61","0.005","90","","1952.5","0.3","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Fe P2 Si -","- C18 H30 Fe P2 Si -","- C72 H120 Fe4 P8 Si4 -","4","1","","David E. Herbert; Makoto Tanabe; Sara C. Bourke; Alan J. Lough; Ian Manners","Strain-Controlled, Photochemically, or Thermally Promoted Haptotropic Shifts of Cyclopentadienyl Ligands in Group 8 Metallocenophanes","Journal of the American Chemical Society","2008","130","","4166","4176","10.1021/ja077334+","","","0.71073","MoKα","","0.1442","0.0884","","","0.2261","0.2716","","","","","","1.056","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111368","7.9539","0.0004","13.9194","0.0009","16.1807","0.0008","90","","102.218","0.004","90","","1750.85","0.17","150","1","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Fe P2 -","- C18 H28 Fe P2 -","- C72 H112 Fe4 P8 -","4","1","","David E. Herbert; Makoto Tanabe; Sara C. Bourke; Alan J. Lough; Ian Manners","Strain-Controlled, Photochemically, or Thermally Promoted Haptotropic Shifts of Cyclopentadienyl Ligands in Group 8 Metallocenophanes","Journal of the American Chemical Society","2008","130","","4166","4176","10.1021/ja077334+","","","0.71073","MoKα","","0.1114","0.0668","","","0.1506","0.1702","","","","","","1.076","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111369","8.1075","0.0003","13.7698","0.0005","16.3172","0.0004","90","","100.619","0.002","90","","1790.43","0.1","150","1","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 P2 Ru -","- C18 H28 P2 Ru -","- C72 H112 P8 Ru4 -","4","1","","David E. Herbert; Makoto Tanabe; Sara C. Bourke; Alan J. Lough; Ian Manners","Strain-Controlled, Photochemically, or Thermally Promoted Haptotropic Shifts of Cyclopentadienyl Ligands in Group 8 Metallocenophanes","Journal of the American Chemical Society","2008","130","","4166","4176","10.1021/ja077334+","","","0.71073","MoKα","","0.0472","0.0367","","","0.0935","0.1005","","","","","","1.077","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111370","27.5842","0.0004","11.3235","0.0004","14.7297","0.0009","90","","104.284","0.0018","90","","4458.6","0.3","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 P2 Ru -","- C22 H36 P2 Ru -","- C176 H288 P16 Ru8 -","8","2","","David E. Herbert; Makoto Tanabe; Sara C. Bourke; Alan J. Lough; Ian Manners","Strain-Controlled, Photochemically, or Thermally Promoted Haptotropic Shifts of Cyclopentadienyl Ligands in Group 8 Metallocenophanes","Journal of the American Chemical Society","2008","130","","4166","4176","10.1021/ja077334+","","","0.71073","MoKα","","0.1046","0.0522","","","0.115","0.1366","","","","","","1.032","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111371","9.1373","0.0001","13.9938","0.0002","15.1999","0.0002","90","","90","","90","","1943.54","0.04","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 P2 Ru -","- C18 H30 P2 Ru -","- C72 H120 P8 Ru4 -","4","1","","David E. Herbert; Makoto Tanabe; Sara C. Bourke; Alan J. Lough; Ian Manners","Strain-Controlled, Photochemically, or Thermally Promoted Haptotropic Shifts of Cyclopentadienyl Ligands in Group 8 Metallocenophanes","Journal of the American Chemical Society","2008","130","","4166","4176","10.1021/ja077334+","","","0.71073","MoKα","","0.0256","0.0234","","","0.0546","0.0561","","","","","","1.124","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111372","18.0961","0.0019","18.915","0.002","26.033","0.003","80.349","0.001","70.276","0.001","63.317","0.001","7493.3","1.4","80","2","80","2","","","","","","","","5","P -1","-P 1","2","","","","- C122 H149.5 N42 O53.25 Pd6 -","- C122.016 H116.01 N42 O53.25 Pd6 -","- C244.032 H232.02 N84 O106.5 Pd12 -","2","1","","Yoshihiro Yamauchi; Michito Yoshizawa; Makoto Fujita","Engineering Stacks of Aromatic Rings by the Interpenetration of Self-Assembled Coordination Cages","Journal of the American Chemical Society","2008","130","","5832","5833","10.1021/ja077783+","","","0.71073","MoKα","","0.0742","0.0463","","","0.1079","0.1232","","","","","","1.039","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111373","22.152","0.003","22.625","0.003","25.961","0.003","106.748","0.002","110.284","0.002","101.93","0.002","10985","2","80","2","80","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H283 N35.5 O51.5 Pd6 -","- C132 H165 N35.5 O51.5 Pd6 -","- C264 H330 N71 O103 Pd12 -","2","1","","Yoshihiro Yamauchi; Michito Yoshizawa; Makoto Fujita","Engineering Stacks of Aromatic Rings by the Interpenetration of Self-Assembled Coordination Cages","Journal of the American Chemical Society","2008","130","","5832","5833","10.1021/ja077783+","","","0.71073","MoK\/Ya","","0.2435","0.1167","","","0.3181","0.3655","","","","","","0.961","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111374","38.9359","0.0006","24.277","0.0006","20.2369","0.0005","90","","112.917","0.0013","90","","17619","0.7","150","1","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H65 B Fe O0.5 P3 -","- C47 H65 B Fe O0.5 P3 -","- C752 H1040 B16 Fe16 O8 P48 -","16","2","","David E. Herbert; Makoto Tanabe; Sara C. Bourke; Alan J. Lough; Ian Manners","Strain-Controlled, Photochemically, or Thermally Promoted Haptotropic Shifts of Cyclopentadienyl Ligands in Group 8 Metallocenophanes","Journal of the American Chemical Society","2008","130","","4166","4176","10.1021/ja077334+","","","0.71073","MoKα","","0.1304","0.0749","","","0.1933","0.2302","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111375","10.6044","0.0008","7.4583","0.0005","16.4746","0.0014","90","","95.097","0.004","90","","1297.84","0.17","150","1","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 Fe -","- C17 H18 Fe -","- C68 H72 Fe4 -","4","1","","David E. Herbert; Makoto Tanabe; Sara C. Bourke; Alan J. Lough; Ian Manners","Strain-Controlled, Photochemically, or Thermally Promoted Haptotropic Shifts of Cyclopentadienyl Ligands in Group 8 Metallocenophanes","Journal of the American Chemical Society","2008","130","","4166","4176","10.1021/ja077334+","","","0.71073","MoKα","","0.1501","0.0579","","","0.1159","0.149","","","","","","0.976","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111376","7.7045","0.0002","32.9298","0.0008","15.2583","0.0004","90","","90.97","0.0014","90","","3870.59","0.17","150","1","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Ru -","- C16 H20 Ru -","- C192 H240 Ru12 -","12","3","","David E. Herbert; Makoto Tanabe; Sara C. Bourke; Alan J. Lough; Ian Manners","Strain-Controlled, Photochemically, or Thermally Promoted Haptotropic Shifts of Cyclopentadienyl Ligands in Group 8 Metallocenophanes","Journal of the American Chemical Society","2008","130","","4166","4176","10.1021/ja077334+","","","0.71073","MoKα","","0.1026","0.0521","","","0.113","0.1319","","","","","","1.014","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111377","9.2297","0.0005","34.078","0.002","10.9325","0.0006","90","","109.864","0.001","90","","3234","0.3","171.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 Ce F -","- C34 H58 Ce F -","- C136 H232 Ce4 F4 -","4","1","","Laurent Maron; Evan L. Werkema; Lionel Perrin; Odile Eisenstein; Richard A. Andersen","Hydrogen for Fluorine Exchange in C6F6 and C6F5H by Monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and Computational Studies","Journal of the American Chemical Society","2005","127","","279","292","10.1021/ja0451012","","","0.7107","MoKα","","","0.0291","","","","0.0654","","","","","","1.306","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111378","9.1426","0.0006","10.4602","0.0006","17.096","0.001","94.074","0.001","105.507","0.001","103.56","0.001","1515.83","0.16","132.2","","132.2","","","","","","","","","4","P -1","-P 1","2","Cp*2ScSiH(SiMe3)2","","","- C26 H49 Sc Si3 -","- C26 H42 Sc Si3.004 -","- C52 H84 Sc2 Si6.008 -","2","1","","Aaron D. Sadow; T. Don Tilley","Synthesis and Characterization of Scandium Silyl Complexes of the Type Cp*2ScSiHRR'. σ-Bond Metathesis Reactions and Catalytic Dehydrogenative Silation of Hydrocarbons","Journal of the American Chemical Society","2005","127","","643","656","10.1021/ja040141r","","","0.7107","MoKα","","0.0819","0.065","","0.0959","0.09","0.09","","","","","","2.39","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111379","9.9125","0.0008","20.937","0.002","16.232","0.001","90","0.001","95.289","0.001","90","0.001","3354.4","0.5","135.2","","135.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H37 Sc Si2 -","- C38 H2 Sc Si2 -","- C152 H8 Sc4 Si8 -","4","1","","Aaron D. Sadow; T. Don Tilley","Synthesis and Characterization of Scandium Silyl Complexes of the Type Cp*2ScSiHRR'. σ-Bond Metathesis Reactions and Catalytic Dehydrogenative Silation of Hydrocarbons","Journal of the American Chemical Society","2005","127","","643","656","10.1021/ja040141r","","","0.7107","MoKα","","0.0778","0.0442","","0.0612","0.0534","0.0534","","","","","","1.455","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111380","16.2746","0.0011","9.462","0.0007","18.9247","0.0014","90","","95.45","0.002","90","","2901","0.4","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H52 O -","- C34 H52 O -","- C136 H208 O4 -","4","2","","David A. Powell; Toshihide Maki; Gregory C. Fu","Stille Cross-Couplings of Unactivated Secondary Alkyl Halides Using Monoorganotin Reagents","Journal of the American Chemical Society","2005","127","","510","511","10.1021/ja0436300","","","0.71073","MoKα","","0.0764","0.0535","","","0.1138","0.1252","","","","","","1.02","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111381","11.34","0.012","11.984","0.012","12.27","0.03","101.22","0.03","111.66","0.03","108.49","0.012","1375","4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H37 N3 P Si2 Ta -","- C24 H38.5 N2.5 P Si2 Ta -","- C48 H77 N5 P2 Si4 Ta2 -","2","1","","Michael P. Shaver; Michael D. Fryzuk","Cleavage of Hydrazine and 1,1-Dimethylhydrazine by Dinuclear Tantalum Hydrides: Formation of Imides, Nitrides, and N,N-Dimethylamine","Journal of the American Chemical Society","2005","127","","500","501","10.1021/ja043732q","","","0.71073","MoKα","","0.0276","0.0265","","","0.0639","0.0649","","","","","","1.101","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111382","11.6976","0.0011","19.494","0.0011","23.2595","0.0015","90","","90.216","0.004","90","","5303.9","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H62 N6 P2 Si4 Ta2 -","- C48 H62 N6 P2 Si4 Ta2 -","- C192 H248 N24 P8 Si16 Ta8 -","4","1","","Michael P. Shaver; Michael D. Fryzuk","Cleavage of Hydrazine and 1,1-Dimethylhydrazine by Dinuclear Tantalum Hydrides: Formation of Imides, Nitrides, and N,N-Dimethylamine","Journal of the American Chemical Society","2005","127","","500","501","10.1021/ja043732q","","","0.71069","MoKα","","0.1225","0.0767","","","0.1651","0.1872","","","","","","1.029","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111383","14.75","0.003","10.849","0.002","16.712","0.003","90","","114.29","0.03","90","","2437.6","1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H61 B N2 P2 Ru -","- C54 H61 B N2 P2 Ru -","- C108 H122 B2 N4 P4 Ru2 -","2","1","","Rongwei Guo; Robert H. Morris; Datong Song","Enantioselective Tandem Michael Addition/H2-Hydrogenation Catalyzed by Ruthenium Hydride Borohydride Complexes Containing β-aminophosphine Ligands1","Journal of the American Chemical Society","2005","127","","516","517","10.1021/ja043782v","","","0.71073","MoKα","","0.0539","0.0426","","","0.1019","0.1093","","","","","","1.025","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111384","9.9809","0.0012","14.584","0.002","25.324","0.004","93.629","0.012","93.227","0.011","104.668","0.012","3548.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H79 F12 N3 O11 P2 -","- C57 H79 F12 N3 O11 P2 -","- C114 H158 F24 N6 O22 P4 -","2","1","","Feihe Huang; Devdatt S. Nagvekar; Carla Slebodnick; Harry W. Gibson","A Supramolecular Triarm Star Polymer from a Homotritopic Tris(Crown Ether) Host and a Complementary Monotopic Paraquat-Terminated Polystyrene Guest by a Supramolecular Coupling Method","Journal of the American Chemical Society","2005","127","","484","485","10.1021/ja0438516","","x-ray","0.71073","MoKα","","0.1583","0.1054","","","0.2828","0.3244","","","","","","1.002","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111385","9.5962","0.0005","12.6495","0.0007","14.5038","0.0008","104.342","0.001","90.559","0.001","105.38","0.001","1639.25","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 O8 Re2 Sn2 -","- C32 H20 O8 Re2 Sn2 -","- C64 H40 O16 Re4 Sn4 -","2","1","","Richard D. Adams; Burjor Captain; Mikael Johansson; Jack L. Smith","New Rhenium-Tin Cluster Adds Palladium Phosphine Groups across Re-Sn Bonds","Journal of the American Chemical Society","2005","127","","488","489","10.1021/ja0443169","","","0.71073","MoKα","","0.0491","0.0389","","","0.0956","0.103","","","","","","1.019","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111386","10.8119","0.0007","12.4429","0.0008","12.9946","0.0008","80.117","0.001","68.988","0.001","71.927","0.001","1547.82","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H74 O8 P2 Pd2 Re2 Sn2 -","- C56 H74 O8 P2 Pd2 Re2 Sn2 -","- C56 H74 O8 P2 Pd2 Re2 Sn2 -","1","0.5","","Richard D. Adams; Burjor Captain; Mikael Johansson; Jack L. Smith","New Rhenium-Tin Cluster Adds Palladium Phosphine Groups across Re-Sn Bonds","Journal of the American Chemical Society","2005","127","","488","489","10.1021/ja0443169","","","0.71073","MoKα","","0.042","0.0365","","","0.0887","0.0913","","","","","","1.042","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111387","26.157","0.003","15.602","0.003","27.03","0.004","90","","115.301","0.007","90","","9973","3","100","2","100","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C116.35 H112.7 B Cl0.7 Cu F4 N12 O2 -","- C116.355 H112.71 B Cl0.71 Cu F4 N12 O2 -","- C465.42 H450.84 B4 Cl2.84 Cu4 F16 N48 O8 -","4","1","","Shoko Kume; Masaki Murata; Tomoji Ozeki; Hiroshi Nishihara","Reversible Photoelectronic Signal Conversion Based on Photoisomerization-Controlled Coordination Change of Azobenzene-bipyridine Ligands to Copper","Journal of the American Chemical Society","2005","127","","490","491","10.1021/ja045093p","","","0.3282","synchrotron","","0.1508","0.1088","","","0.2746","0.3132","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111388","14.242","0.006","19.819","0.009","25.943","0.012","90","","93.533","0.006","90","","7309","6","113.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 B Cl2 Cu F4 N4 -","- C85.2 H80 B Cl1.2 Cu F4 N4 -","- C340.8 H320 B4 Cl4.8 Cu4 F16 N16 -","4","1","","Shoko Kume; Masaki Murata; Tomoji Ozeki; Hiroshi Nishihara","Reversible Photoelectronic Signal Conversion Based on Photoisomerization-Controlled Coordination Change of Azobenzene-bipyridine Ligands to Copper","Journal of the American Chemical Society","2005","127","","490","491","10.1021/ja045093p","","","0.7107","MoKα","","","0.096","","","","0.105","","","","","","6.848","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111389","7.9051","0.0006","10.8742","0.0008","17.6443","0.0013","90","","98.954","0.002","90","","1498.25","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","Yoshihiko Yamamoto; Keisuke Kinpara; Tomoaki Saigoku; Hideyuki Takagishi; Satoshi Okuda; Hisao Nishiyama; Kenji Itoh","Cp*RuCl-Catalyzed [2 + 2 + 2] Cycloadditions of α,ω-Diynes with Electron-Deficient Carbon-Heteroatom Multiple Bonds Leading to Heterocycles","Journal of the American Chemical Society","2005","127","","605","613","10.1021/ja045694g","","","0.71073","MoKα","","0.0552","0.0457","","","0.1301","0.1463","","","","","","0.565","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111390","10.6133","0.0008","11.0274","0.0009","29.423","0.002","90","","90","","90","","3443.6","0.4","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C152 H152 N8 O32 S8 -","8","2","","Yoshihiko Yamamoto; Keisuke Kinpara; Tomoaki Saigoku; Hideyuki Takagishi; Satoshi Okuda; Hisao Nishiyama; Kenji Itoh","Cp*RuCl-Catalyzed [2 + 2 + 2] Cycloadditions of α,ω-Diynes with Electron-Deficient Carbon-Heteroatom Multiple Bonds Leading to Heterocycles","Journal of the American Chemical Society","2005","127","","605","613","10.1021/ja045694g","","","0.71073","MoKα","","0.0568","0.0421","","","0.111","0.13","","","","","","0.712","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111391","8.0072","0.001","21.705","0.003","6.8803","0.0009","90","","90","","90","","1195.8","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Yoshihiko Yamamoto; Keisuke Kinpara; Tomoaki Saigoku; Hideyuki Takagishi; Satoshi Okuda; Hisao Nishiyama; Kenji Itoh","Cp*RuCl-Catalyzed [2 + 2 + 2] Cycloadditions of α,ω-Diynes with Electron-Deficient Carbon-Heteroatom Multiple Bonds Leading to Heterocycles","Journal of the American Chemical Society","2005","127","","605","613","10.1021/ja045694g","","","0.71073","MoKα","","0.0736","0.0559","","","0.1752","0.2123","","","","","","0.854","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111392","9.9267","0.0008","6.2157","0.0005","19.2178","0.0015","90","","94.75","0.001","90","","1181.69","0.16","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","","Yoshihiko Yamamoto; Keisuke Kinpara; Tomoaki Saigoku; Hideyuki Takagishi; Satoshi Okuda; Hisao Nishiyama; Kenji Itoh","Cp*RuCl-Catalyzed [2 + 2 + 2] Cycloadditions of α,ω-Diynes with Electron-Deficient Carbon-Heteroatom Multiple Bonds Leading to Heterocycles","Journal of the American Chemical Society","2005","127","","605","613","10.1021/ja045694g","","","0.71073","MoKα","","0.0592","0.0535","","","0.1557","0.1687","","","","","","0.643","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111393","5.5895","0.0006","11.4355","0.0011","12.0083","0.0012","72.662","0.002","85.015","0.002","83.838","0.002","727.23","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C34 H36 N4 O4 -","2","1","","Yoshihiko Yamamoto; Keisuke Kinpara; Tomoaki Saigoku; Hideyuki Takagishi; Satoshi Okuda; Hisao Nishiyama; Kenji Itoh","Cp*RuCl-Catalyzed [2 + 2 + 2] Cycloadditions of α,ω-Diynes with Electron-Deficient Carbon-Heteroatom Multiple Bonds Leading to Heterocycles","Journal of the American Chemical Society","2005","127","","605","613","10.1021/ja045694g","","","0.71073","MoKα","","0.0718","0.0653","","","0.1894","0.1984","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111394","7.1219","0.0007","20.2661","0.0019","22.218","0.002","90","","90","","90","","3206.8","0.5","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C48 H26 N4 Zn -","- C48 H26 N4 Zn -","- C192 H104 N16 Zn4 -","4","1","","Mahendra Nath; Maren Pink; Jeffrey M. Zaleski","Controlling Both Ground- and Excited-State Thermal Barriers to Bergman Cyclization with Alkyne Termini Substitution","Journal of the American Chemical Society","2005","127","","478","479","10.1021/ja045979t","","","0.71073","MoKα","","0.0502","0.0366","","","0.0827","0.0888","","","","","","1.033","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4111395","13.021","0.004","18.238","0.004","19.036","0.005","90","","104.93","0.009","90","","4368","2","130","2","130","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H38 N4 -","- C60 H38 N4 -","- C240 H152 N16 -","4","0.5","","Mahendra Nath; Maren Pink; Jeffrey M. Zaleski","Controlling Both Ground- and Excited-State Thermal Barriers to Bergman Cyclization with Alkyne Termini Substitution","Journal of the American Chemical Society","2005","127","","478","479","10.1021/ja045979t","","","0.71073","MoKα","","0.1482","0.0648","","","0.1449","0.1794","","","","","","0.974","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4111396","8.841","0.003","17.598","0.006","12.876","0.005","90","","98.67","0.03","90","","1980.4","1.2","293","2","293","2","","","","","","","synthesized by the authors, see text","3","P 1 21 1","P 2yb","4","","","","- C33 H46 O21 -","- C33 H46 O21 -","- C66 H92 O42 -","2","1","","Yvan Guindon; Mohammed Bencheqroun; Abderrahim Bouzide","Synthesis of Postulated Molecular Probes: Stereoselective Free-Radical-MediatedC-Glycosylation in Tandem with Hydrogen Transfer","Journal of the American Chemical Society","2005","127","","554","558","10.1021/ja046389y","","","1.54056","CuKα","","0.0882","0.0469","","0.1098","","0.0954","","","0.766","","","1.019","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111397","6.8915","0.0012","7.0243","0.0012","10.7781","0.0019","103.58","0.003","93.139","0.003","111.337","0.003","466.7","0.14","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C13 H32 Br2 N2 O2 -","- C13 H32 Br2 N2 O2 -","- C13 H32 Br2 N2 O2 -","1","1","","Jared L. Anderson; Rongfang Ding; Arkady Ellern; Daniel W. Armstrong","Structure and Properties of High Stability Geminal Dicationic Ionic Liquids","Journal of the American Chemical Society","2005","127","","593","604","10.1021/ja046521u","","","0.71073","MoKα","","0.0316","0.0294","","","0.0718","0.0728","","","","","","1.001","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111398","5.0921","0.0007","11.1143","0.0014","13.5598","0.0017","76.565","0.002","80.455","0.002","84.162","0.002","734.48","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H18 Br2 N4 -","- C11 H18 Br2 N4 -","- C22 H36 Br4 N8 -","2","1","","Jared L. Anderson; Rongfang Ding; Arkady Ellern; Daniel W. Armstrong","Structure and Properties of High Stability Geminal Dicationic Ionic Liquids","Journal of the American Chemical Society","2005","127","","593","604","10.1021/ja046521u","","","0.71073","MoKα","","0.0513","0.0406","","","0.1065","0.1134","","","","","","1.065","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111399","21.367","0.006","19.888","0.005","23.787","0.006","90","","90","","90","","10108","5","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H28 Br2 N2 -","- C13 H28 Br2 N2 -","- C312 H672 Br48 N48 -","24","3","","Jared L. Anderson; Rongfang Ding; Arkady Ellern; Daniel W. Armstrong","Structure and Properties of High Stability Geminal Dicationic Ionic Liquids","Journal of the American Chemical Society","2005","127","","593","604","10.1021/ja046521u","","","0.71073","MoKα","","0.1012","0.0696","","","0.1619","0.1806","","","","","","1.055","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111400","10.824","0.004","15.726","0.006","22.462","0.009","90","","92.693","0.006","90","","3819","3","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[LZn2Ca(MeOH)2](ClO4)2","","","- C30 H34 Ca Cl2 N4 O20 Zn2 -","- C30 H34 Ca Cl2 N4 O20 Zn2 -","- C120 H136 Ca4 Cl8 N16 O80 Zn8 -","4","0.5","","Shigehisa Akine; Takanori Taniguchi; Toshiyuki Saiki; Tatsuya Nabeshima","Ca2± and Ba2±Selective Receptors Based on Site-Selective Transmetalation of Multinuclear Polyoxime-Zinc(II) Complexes","Journal of the American Chemical Society","2005","127","","540","541","10.1021/ja046790k","","","0.71069","MoKα","","0.0434","0.0378","","","0.0874","0.0899","","","","","","1.057","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111401","10.5992","0.0013","12.4799","0.0016","16.162","0.002","96.715","0.002","92.452","0.002","93.815","0.002","2115.7","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","(Pentamethylcyclopentadienyldicarbonyl)(ferrocenylborylene) (tricyclohexylphosphinobromopalladium)","(Pentamethylcyclopentadienyldicarbonyl)(ferrocenylborylene) (tricyclohexylphosphinobromopalladium)","","- C43.5 H61 B Br Fe2 O2 P Pd -","- C43.5 H61 B Br Fe2 O2 P Pd -","- C87 H122 B2 Br2 Fe4 O4 P2 Pd2 -","2","1","","Holger Braunschweig; Krzysztof Radacki; Daniela Rais; Fabian Seeler; Katharina Uttinger","Heterodinuclear Bridged Borylene Complexes","Journal of the American Chemical Society","2005","127","","1386","1387","10.1021/ja0426746","","","0.71073","MoKα","","0.0326","0.0271","","","0.0675","0.0732","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111402","9.2329","0.0012","9.2329","0.0012","9.3868","0.0009","90","","90","","90","","800.19","0.17","295","2","295","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C H K N2 O2 -","- C H K N2 O2 -","- C8 H8 K8 N16 O16 -","8","0.5","","Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand","Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding","Journal of the American Chemical Society","2005","127","","1360","1361","10.1021/ja042877u","","","0.71073","MoKα","","0.0167","0.015","","0.0351","0.0335","","","","1.065","1.039","1.039","","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111403","8.2137","0.0008","14.215","0.002","7.9909","0.001","90","","99.816","0.009","90","","919.3","0.2","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H25 K N2 O8 -","- C13 H25 K N2 O8 -","- C26 H50 K2 N4 O16 -","2","1","","Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand","Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding","Journal of the American Chemical Society","2005","127","","1360","1361","10.1021/ja042877u","","","0.71073","MoKα","","0.0478","0.0395","","0.1122","0.1033","","","","1.105","1.106","1.106","","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111404","4.6921","0.0001","12.7144","0.00029","7.849","0.0002","90","","99.2655","0.0012","90","","462.14","0.019","293","2","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C H Cs N2 O2 -","- C H Cs N2 O2 -","- C4 H4 Cs4 N8 O8 -","4","1","","Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand","Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding","Journal of the American Chemical Society","2005","127","","1360","1361","10.1021/ja042877u","","","0.71073","MoKα","","0.0231","0.0184","","","0.0373","0.0386","","","","","","1.187","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111405","10.3095","0.0017","10.4553","0.0018","35.754","0.006","90","","90","","90","","3853.9","1.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C53 H40 O3 -","- C53 H40 O3 -","- C212 H160 O12 -","4","1","","Aditya K. Unni; Norito Takenaka; Hisashi Yamamoto; Viresh H. Rawal","Axially Chiral Biaryl Diols Catalyze Highly Enantioselective Hetero-Diels-Alder Reactions through Hydrogen Bonding","Journal of the American Chemical Society","2005","127","","1336","1337","10.1021/ja044076x","","","0.71073","MoKα","","0.0486","0.0467","","","0.0909","0.0916","","","","","","1.206","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111406","12.379","0.003","15.315","0.003","13.674","0.003","90","","91.05","0.004","90","","2591.9","1","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H41 N O Th -","- C28 H41 N O Th -","- C112 H164 N4 O4 Th4 -","4","1","","Jaime A. Pool; Brian L. Scott; Jaqueline L. Kiplinger","A New Mode of Reactivity for Pyridine N-Oxide: C-H Activation with Uranium(IV) and Thorium(IV) Bis(alkyl) Complexes","Journal of the American Chemical Society","2005","127","","1338","1339","10.1021/ja044153o","","","0.71073","MoKα","","0.0387","0.0282","","","0.0789","0.0846","","","","","","1.462","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111407","9.812","0.002","15.279","0.003","10.093","0.002","90","","96.897","0.004","90","","1502.2","0.5","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H45 N O Th -","- C34 H45 N O Th -","- C68 H90 N2 O2 Th2 -","2","1","","Jaime A. Pool; Brian L. Scott; Jaqueline L. Kiplinger","A New Mode of Reactivity for Pyridine N-Oxide: C-H Activation with Uranium(IV) and Thorium(IV) Bis(alkyl) Complexes","Journal of the American Chemical Society","2005","127","","1338","1339","10.1021/ja044153o","","","0.71073","MoKα","","0.0614","0.0528","","","0.1336","0.1393","","","","","","1.156","","","","has coordinates,has disorder","189367","2020-10-21","18:00:00",""
"4111408","10.4834","0.0008","23.4188","0.0018","11.3589","0.0009","90","","94.019","0.001","90","","2781.9","0.4","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 N O U -","- C32 H41 N O U -","- C128 H164 N4 O4 U4 -","4","1","","Jaime A. Pool; Brian L. Scott; Jaqueline L. Kiplinger","A New Mode of Reactivity for Pyridine N-Oxide: C-H Activation with Uranium(IV) and Thorium(IV) Bis(alkyl) Complexes","Journal of the American Chemical Society","2005","127","","1338","1339","10.1021/ja044153o","","","0.71073","MoKα","","0.157","0.0864","","","0.118","0.1346","","","","","","1.136","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111409","10.4583","0.0004","23.2441","0.0008","11.4942","0.0004","90","","93.672","0.001","90","","2788.43","0.17","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 N O Th -","- C32 H41 N O Th -","- C128 H164 N4 O4 Th4 -","4","1","","Jaime A. Pool; Brian L. Scott; Jaqueline L. Kiplinger","A New Mode of Reactivity for Pyridine N-Oxide: C-H Activation with Uranium(IV) and Thorium(IV) Bis(alkyl) Complexes","Journal of the American Chemical Society","2005","127","","1338","1339","10.1021/ja044153o","","","0.71073","MoKα","","0.0319","0.0231","","","0.0595","0.0614","","","","","","1.137","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111410","17.664","0.003","14.848","0.002","18.129","0.003","90","","112.14","0.002","90","","4404.2","1.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 N2 O12 Zn3 -","- C26 H32 N2 O12 Zn3 -","- C156 H192 N12 O72 Zn18 -","6","1.5","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.042","0.0281","","","0.0748","0.082","","","","","","1.032","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111411","29.6774","0.0019","9.6295","0.0006","7.9812","0.0005","90","","97.69","0.001","90","","2260.3","0.2","158","2","158","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Co N2 O7 -","- C24 H28 Co N2 O7 -","- C96 H112 Co4 N8 O28 -","4","0.5","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0795","0.0541","","","0.1546","0.166","","","","","","1.019","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111412","10.1023","0.0011","14.412","0.0016","14.9635","0.0017","70.59","0.002","72.752","0.002","87.142","0.002","1959.5","0.4","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H43 Cd2 N O10 -","- C46 H37 Cd2 N O10 -","- C92 H74 Cd4 N2 O20 -","2","1","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0368","0.0305","","","0.0809","0.0839","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111413","9.8294","0.0004","12.1098","0.0005","14.6279","0.0006","109.75","0.001","103.613","0.001","100.14","0.001","1529.29","0.11","158","2","158","2","","","","","","","","5","P -1","-P 1","2","MOF-80","","","- C33 H30 N2 O10 Tb -","- C33 H30 N2 O10 Tb -","- C66 H60 N4 O20 Tb2 -","2","1","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0587","0.0373","","","0.0742","0.0785","","","","","","0.939","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111414","8.3639","0.0003","17.9914","0.0008","9.9617","0.0004","90","","102.687","0.001","90","","1462.42","0.1","158","2","158","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 O6 Pb -","- C12 H16 O6 Pb -","- C48 H64 O24 Pb4 -","4","1","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0282","0.0223","","","0.0586","0.0613","","","","","","1.101","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111415","19.2301","0.0016","7.2386","0.0006","8.8481","0.0007","90","","90","","90","","1231.65","0.17","298","2","298","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2.75 H Co0.25 N0.25 O1.25 -","- C2.75 H Co0.25 N0.25 O1.25 -","- C44 H16 Co4 N4 O20 -","16","1","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0364","0.0329","","","0.0877","0.0896","","","","","","1.105","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111416","13.686","0.002","18.252","0.003","14.906","0.003","90","","101.07","0.003","90","","3654.2","1.1","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H8 Cd1.5 N O8 -","- C18 H8 Cd1.5 N O8 -","- C144 H64 Cd12 N8 O64 -","8","1","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0298","0.0258","","","0.066","0.0677","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111417","24.7821","0.0016","10.5842","0.0007","17.4219","0.0011","90","","129.932","0.001","90","","3504.1","0.4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","MnBDC(DEF)","","","- C17 H17 Mn1.5 N O7 -","- C17 H17 Mn1.5 N O7 -","- C136 H136 Mn12 N8 O56 -","8","1","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0896","0.0537","","","0.1165","0.1262","","","","","","0.935","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111418","25.9322","0.0015","25.9322","0.0015","6.8365","0.0004","90","","90","","120","","3981.5","0.4","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H20 N2 O10 Zn2 -","- C14 H2 N2 O8.98 Zn2 -","- C126 H18 N18 O80.82 Zn18 -","9","0.5","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0527","0.0464","","","0.1104","0.1133","","","","","","1.154","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111419","10.6926","0.0011","10.6727","0.0011","15.7533","0.0016","90","","95.865","0.002","90","","1788.3","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 N3 O9 S Tb -","- C12 H16 N3 O9 S Tb -","- C48 H64 N12 O36 S4 Tb4 -","4","1","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0436","0.0415","","","0.0982","0.0989","","","","","","1.333","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111420","10.2792","0.0011","10.2792","0.0011","14.5376","0.0015","90","","90","","90","","1536.1","0.3","148","2","148","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C12 H13 N O8.5 Tb -","- C9 H3 O25 Tb -","- C36 H12 O100 Tb4 -","4","0.5","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.045","0.026","","","0.025","","","","","","","0.89","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111421","7.261","0.004","7.261","0.004","25.471","0.019","90","","90","","90","","1342.9","1.4","158","2","158","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C7 H6 O4 Zn -","- C7 H6 O4 Zn -","- C56 H48 O32 Zn8 -","8","0.5","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.081","0.0586","","","0.1553","0.1687","","","","","","1.093","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111422","6.7657","0.0003","16.3874","0.0007","12.2285","0.0005","90","","90.023","0.001","90","","1355.8","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","98312z","","","- C14 H46 Ga2 N4 Si4 -","- C14 H46 Ga2 N4 Si4 -","- C28 H92 Ga4 N8 Si8 -","2","0.5","","Bethany L. Kormos; Jolin A. Jegier; Paul C. Ewbank; Udo Pernisz; Victor G. Young; Christopher J. Cramer; Wayne L. Gladfelter","Oligomeric Rods of Alkyl- and Hydridogallium Imides","Journal of the American Chemical Society","2005","127","","1493","1503","10.1021/ja045149f","","","0.71073","MoKα","","0.0394","0.0306","","","0.0673","0.0701","","","","","","1.094","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111423","6.3815","0.0002","16.4835","0.0006","10.9674","0.0004","90","","106.542","0.001","90","","1105.91","0.07","90","1","90","1","","","","","","","","4","P 1 21 1","P 2yb","4","BrPh-cyclopropane","(1S, 2S) 2-(Acetoxy-phenyl-methyl)-2-(2-ethoxy-vinyl)-1-(4-bromo- phenyl)-cyclopropanecarboxylic acid methyl ester","","- C24 H25 Br O5 -","- C24 H25 Br O5 -","- C48 H50 Br2 O10 -","2","1","","Liang Deng; Anthony J. Giessert; Oksana O. Gerlitz; Xing Dai; Steven T. Diver; Huw M. L. Davies","Metal Carbene-Promoted Sequential Transformations for the Enantioselective Synthesis of Highly Functionalized Cycloheptadienes","Journal of the American Chemical Society","2005","127","","1342","1343","10.1021/ja045173t","","","0.71073","MoKα","","0.0263","0.0249","","","0.0618","0.0622","","","","","","1.036","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111424","10.8185","0.0002","13.0054","0.0003","16.0637","0.0003","83.061","0.001","77.156","0.001","81.597","0.001","2170.78","0.08","100","1","100","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H57 Cl N2 P2 Ru -","- C54 H57 Cl N2 P2 Ru -","- C108 H114 Cl2 N4 P4 Ru2 -","2","2","","Robert Abbel; Kamaluddin Abdur-Rashid; Michael Faatz; Alen Hadzovic; Alan J. Lough; Robert H. Morris","A Succession of Isomers of Ruthenium Dihydride Complexes. Which One Is the Ketone Hydrogenation Catalyst?","Journal of the American Chemical Society","2005","127","","1870","1882","10.1021/ja039396f","","","0.71073","MoKα","","0.0578","0.0478","","","0.122","0.1289","","","","","","1.017","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111425","13.3032","0.0006","14.062","0.0004","18.4444","0.0008","81.56","0.002","81.239","0.002","89.956","0.002","3372.4","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H39 Cl N2 P2 Ru -","- C38 H38 Cl N2 P2 Ru -","- C152 H152 Cl4 N8 P8 Ru4 -","4","2","","Robert Abbel; Kamaluddin Abdur-Rashid; Michael Faatz; Alen Hadzovic; Alan J. Lough; Robert H. Morris","A Succession of Isomers of Ruthenium Dihydride Complexes. Which One Is the Ketone Hydrogenation Catalyst?","Journal of the American Chemical Society","2005","127","","1870","1882","10.1021/ja039396f","","","0.71073","MoKα","","0.0892","0.0574","","","0.1423","0.1596","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111426","11.0741","0.0002","13.71","0.0003","16.8074","0.0003","84.21","0.001","82.089","0.001","67.678","0.001","2334.82","0.08","150","1","150","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H55 N2 O2 P3 Ru -","- C54 H55 N2 O2 P3 Ru -","- C108 H110 N4 O4 P6 Ru2 -","2","2","","Robert Abbel; Kamaluddin Abdur-Rashid; Michael Faatz; Alen Hadzovic; Alan J. Lough; Robert H. Morris","A Succession of Isomers of Ruthenium Dihydride Complexes. Which One Is the Ketone Hydrogenation Catalyst?","Journal of the American Chemical Society","2005","127","","1870","1882","10.1021/ja039396f","","","0.71073","MoKα","","0.0441","0.0352","","","0.0726","0.0761","","","","","","1.034","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111427","10.4107","0.0001","14.1121","0.0002","27.0744","0.0005","97.828","0.008","97.705","0.001","101.796","0.001","3803.25","0.14","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C92 H85 N2 P4 Ru2 -","- C92 H85 N2 P4 Ru2 -","- C184 H170 N4 P8 Ru4 -","2","1","","Robert Abbel; Kamaluddin Abdur-Rashid; Michael Faatz; Alen Hadzovic; Alan J. Lough; Robert H. Morris","A Succession of Isomers of Ruthenium Dihydride Complexes. Which One Is the Ketone Hydrogenation Catalyst?","Journal of the American Chemical Society","2005","127","","1870","1882","10.1021/ja039396f","","","0.71073","MoKα","","0.0676","0.0446","","","0.1018","0.1106","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111428","11.84","0.005","14.971","0.007","16.114","0.007","90","","90.842","0.008","90","","2856","2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 Cl P2 Pt S -","- C32 H29 Cl P2 Pt S -","- C128 H116 Cl4 P8 Pt4 S4 -","4","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0832","0.07","","","0.1622","0.1686","","","","","","1.195","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111429","19.899","0.003","9.5261","0.0014","15.329","0.002","90","","94.378","0.003","90","","2897.3","0.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H48 N2 Pd S3 -","- C25 H48 N2 Pd S3 -","- C100 H192 N8 Pd4 S12 -","4","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0882","0.0486","","","0.1156","0.1367","","","","","","1.026","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111430","8.8102","0.0014","12.479","0.002","16.025","0.003","90","","90","","90","","1761.8","0.5","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C11 H24 Cl2 Fe N2 Ni S2 -","- C11 H24 Cl2 Fe N2 Ni S2 -","- C44 H96 Cl8 Fe4 N8 Ni4 S8 -","4","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0736","0.0709","","","0.1692","0.172","","","","","","1.098","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111431","9.5118","0.0005","15.7143","0.0008","21.7253","0.0011","90","","93.42","0.001","90","","3241.5","0.3","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H78 Cl6 N4 Ni5 P2 S4 -","- C58 H78 Cl6 N4 Ni5 P2 S4 -","- C116 H156 Cl12 N8 Ni10 P4 S8 -","2","0.5","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0591","0.0517","","","0.0898","0.0918","","","","","","1.349","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111432","8.537","0.003","14.338","0.005","15.089","0.005","98.508","0.009","101.711","0.009","106.176","0.007","1695.3","1","273","2","273","2","","","","","","","","9","P -1","-P 1","2","","","","- C29 H39 Cl F6 N2 Ni P2 Pd S2 -","- C29 H39 Cl F6 N2 Ni P2 Pd S2 -","- C58 H78 Cl2 F12 N4 Ni2 P4 Pd2 S4 -","2","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.1331","0.0634","","","0.1324","0.1577","","","","","","0.988","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111433","8.521","0.002","14.353","0.004","15.153","0.004","98.851","0.006","101.594","0.006","106.111","0.006","1700.3","0.8","273","2","273","2","","","","","","","","9","P -1","-P 1","2","","","","- C29 H39 Cl F6 N2 Ni P2 Pt S2 -","- C29 H39 Cl F6 N2 Ni P2 Pt S2 -","- C58 H78 Cl2 F12 N4 Ni2 P4 Pt2 S4 -","2","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0982","0.0551","","","0.1117","0.1276","","","","","","1.032","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111434","9.888","0.0018","10.803","0.002","15.035","0.003","95.877","0.004","96.162","0.004","95.472","0.004","1579.2","0.5","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H38 F6 N2 Ni2 P2 S3 -","- C25 H38 F6 N2 Ni2 P2 S3 -","- C50 H76 F12 N4 Ni4 P4 S6 -","2","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0724","0.0586","","","0.1614","0.1778","","","","","","1.03","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111435","9.8976","0.0015","10.9346","0.0017","15.043","0.002","94.906","0.004","96.752","0.004","94.115","0.004","1605.3","0.4","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H38 F6 N2 Ni P2 Pd S3 -","- C25 H38 F6 N2 Ni P2 Pd S3 -","- C50 H76 F12 N4 Ni2 P4 Pd2 S6 -","2","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0764","0.0586","","","0.148","0.1633","","","","","","1.082","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111436","9.731","0.003","10.97","0.003","15.1","0.004","94.878","0.006","96.693","0.005","93.495","0.006","1591","0.8","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H38 F6 N2 Ni P2 Pt S3 -","- C25 H38 F6 N2 Ni P2 Pt S3 -","- C50 H76 F12 N4 Ni2 P4 Pt2 S6 -","2","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.082","0.0534","","","0.1222","0.1398","","","","","","1.004","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111437","11.4615","0.0019","14.999","0.003","24.035","0.004","90","","90","","90","","4131.9","1.3","273","2","273","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C44 H42 Cl2 N2 Ni O2 P2 Pt S2 -","- C44 H42 Cl2 N2 Ni O2 P2 Pt S2 -","- C176 H168 Cl8 N8 Ni4 O8 P8 Pt4 S8 -","4","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0704","0.0482","","","0.09","0.0974","","","","","","0.996","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111438","21.0484","0.0018","30.319","0.003","31.941","0.003","90","","91.844","0.002","90","","20373","3","273","2","273","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C83 H119.5 Fe4 N4.5 Ni O0.5 S15 -","- C83.5 H104 Fe4 N4 Ni O0.5 S15 -","- C668 H832 Fe32 N32 Ni8 O4 S120 -","8","2","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.1214","0.0725","","","0.1706","0.1987","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111439","23.596","0.003","24.803","0.003","40.915","0.005","86.471","0.002","80.242","0.002","64.576","0.002","21312","5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C160 H215 Fe8 N7 S27 -","- C166.5 H203 Fe8 N3 S27 -","- C666 H812 Fe32 N12 S108 -","4","2","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.1579","0.0802","","","0.2058","0.2517","","","","","","1.016","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111440","11.9103","0.0009","15.6951","0.001","12.4372","0.0009","90","","105.863","0.003","90","","2236.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","fluorene-bound bis(styryl)benzene","","","- C56 H46 O2 Si2 -","- C56 H46 O2 Si2 -","- C112 H92 O4 Si4 -","2","0.5","","Chaihong Xu; Atsushi Wakamiya; Shigehiro Yamaguchi","Ladder Oligo(p-phenylenevinylene)s with Silicon and Carbon Bridges","Journal of the American Chemical Society","2005","127","","1638","1639","10.1021/ja042964m","","","0.7107","MoKα","","0.0762","0.0649","","","0.1534","0.1605","","","","","","1.087","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111441","10.488","0.002","23.117","0.005","23.601","0.005","90","0.0011","91.0748","0.0011","90","0.0011","5721","2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","bridged-LOPVs 13mer","","","- C138 H136 Si4 -","- C138 H136 Si4 -","- C276 H272 Si8 -","2","0.5","","Chaihong Xu; Atsushi Wakamiya; Shigehiro Yamaguchi","Ladder Oligo(p-phenylenevinylene)s with Silicon and Carbon Bridges","Journal of the American Chemical Society","2005","127","","1638","1639","10.1021/ja042964m","","","0.7107","MoKα","","0.1052","0.083","","","0.2042","0.2204","","","","","","1.082","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111442","9.3478","0.0009","12.7131","0.0012","13.9069","0.0013","97.349","0.003","109.127","0.002","97.243","0.002","1523.5","0.3","128","2","128","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H31 N3 O8 S -","- C32 H31 N3 O8 S -","- C64 H62 N6 O16 S2 -","2","1","","Mu-Hyun Baik; Erich W. Baum; Matthew C. Burland; P. Andrew Evans","Diastereoselective Intermolecular Rhodium-Catalyzed [4 + 2 + 2] Carbocyclization Reactions: Computational and Experimental Evidence for the Intermediacy of an Alternative Metallacycle Intermediate","Journal of the American Chemical Society","2005","127","","1602","1603","10.1021/ja043521l","","","0.71073","MoKα","","0.0509","0.0441","","","0.121","0.1263","","","","","","1.059","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111443","14.4595","0.0018","15.121","0.0015","19.5755","0.0008","86.599","0.009","68.876","0.005","61.576","0.009","3478.1","0.7","208","2","208","2","","","","","","","","6","P -1","-P 1","2","","","","- C81 H91 B2 Ir N6 O3 -","- C81 H91 B2 Ir N6 O3 -","- C162 H182 B4 Ir2 N12 O6 -","2","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0338","0.0245","","0.051","0.048","0.051","","","1.099","","","1.099","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111444","9.1802","0.0019","11.5828","0.0018","23.581","0.004","90","","101.193","0.019","90","","2459.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 F6 Ir N4 P -","- C23 H28 F6 Ir N4 P -","- C92 H112 F24 Ir4 N16 P4 -","4","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0911","0.0529","","0.1314","0.115","0.1314","","","1.064","","","1.064","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111445","13.072","0.002","12.454","0.002","18.86","0.003","90","","109.734","0.011","90","","2890.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H28 F12 Ir N4 P2 -","- C23 H28 F12 Ir N4 P2 -","- C92 H112 F48 Ir4 N16 P8 -","4","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0546","0.0393","","0.1011","0.0939","0.1011","","","1.051","","","1.051","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111446","13.9423","0.001","13.2295","0.0014","14.7294","0.0015","90","","116.392","0.01","90","","2433.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 F6 Ir N4 P -","- C22 H26 F6 Ir N4 P -","- C88 H104 F24 Ir4 N16 P4 -","4","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0619","0.0444","","0.114","0.1066","0.114","","","1.106","","","1.106","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111447","12.1371","0.001","14.9716","0.0012","19.096","0.002","73.115","0.008","80.005","0.008","73.965","0.008","3174.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H61 F24 Ir2 N11 P4 -","- C50 H61 F24 Ir2 N11 P4 -","- C100 H122 F48 Ir4 N22 P8 -","2","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0587","0.0379","","0.0966","0.0882","0.0966","","","1.065","","","1.065","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111448","12.5","0.002","12.837","0.004","13.093","0.005","61.49","0.03","75.105","0.019","68.503","0.018","1709","1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H33 F12 Ir N5 O P2 S -","- C25 H33 F12 Ir N5 O P2 S -","- C50 H66 F24 Ir2 N10 O2 P4 S2 -","2","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0538","0.0408","","0.1101","0.1032","0.1101","","","1.093","","","1.093","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111449","10.5432","0.0002","16.3409","0.0003","13.4964","0.0003","90","","94.8074","0.0009","90","","2317.05","0.08","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Cl F6 Ir N4 P -","- C21 H24 Cl F6 Ir N4 P -","- C84 H96 Cl4 F24 Ir4 N16 P4 -","4","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0536","0.0285","","0.0582","0.0528","0.0582","","","1.023","","","1.023","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111450","17.6536","0.0018","12.464","0.001","27.7263","0.0017","90","","90.002","0.007","90","","6100.7","0.9","208","2","208","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H70 B2 Ir N5 O2 -","- C72 H70 B2 Ir N5 O2 -","- C288 H280 B8 Ir4 N20 O8 -","4","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.1084","0.0446","","0.1756","0.1221","0.1756","","","0.656","","","0.656","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111451","16.027","0.004","14.913","0.004","23.619","0.008","90","","90","","90","","5645","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","BiCych-18-crown-6 K * DNB","Bis(cyclohexano)-18-crown-6 potassium dinitrobenzene","","- C26 H40 K N2 O10 -","- C26 H40 K N2 O10 -","- C208 H320 K8 N16 O80 -","8","1","","Jian-Ming Lü; Sergiy V. Rosokha; Sergey V. Lindeman; Ivan S. Neretin; Jay K. Kochi","""Separated"" versus ""Contact"" Ion-Pair Structures in Solution from Their Crystalline States: Dynamic Effects on Dinitrobenzenide as a Mixed-Valence Anion","Journal of the American Chemical Society","2005","127","","1797","1809","10.1021/ja043998x","","","0.71073","MoKα","","0.1355","0.0492","","","0.0971","0.1114","","","","","","0.762","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111452","12.1156","0.0006","12.8981","0.0007","12.9427","0.0007","111.682","0.001","91.833","0.001","110.057","0.001","1736.03","0.16","123","2","123","2","","","","","","","","5","P -1","-P 1","2","(Benzo-15-crown)2K*DNB","Bis(benzo-15-crown-5)potassium dinitrobenzene","","- C34 H44 K N2 O14 -","- C34 H44 K N2 O14 -","- C68 H88 K2 N4 O28 -","2","1","","Jian-Ming Lü; Sergiy V. Rosokha; Sergey V. Lindeman; Ivan S. Neretin; Jay K. Kochi","""Separated"" versus ""Contact"" Ion-Pair Structures in Solution from Their Crystalline States: Dynamic Effects on Dinitrobenzenide as a Mixed-Valence Anion","Journal of the American Chemical Society","2005","127","","1797","1809","10.1021/ja043998x","","","0.71073","MoKα","","0.0605","0.0471","","0.124","","0.1105","","","1.016","","","1.038","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111453","18.232","0.0009","11.6937","0.0006","13.9494","0.0007","90","","107.036","0.001","90","","2843.5","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CryptK * DNB","Potassium(cryptand) dinitrobenzene","","- C24 H40 K N4 O10 -","- C24 H40 K N4 O10 -","- C96 H160 K4 N16 O40 -","4","1","","Jian-Ming Lü; Sergiy V. Rosokha; Sergey V. Lindeman; Ivan S. Neretin; Jay K. Kochi","""Separated"" versus ""Contact"" Ion-Pair Structures in Solution from Their Crystalline States: Dynamic Effects on Dinitrobenzenide as a Mixed-Valence Anion","Journal of the American Chemical Society","2005","127","","1797","1809","10.1021/ja043998x","","","0.71073","MoKα","","0.0452","0.0386","","0.1054","","0.097","","","1.025","","","1.044","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111454","20.411","0.003","8.3205","0.0012","22.718","0.004","90","","103.938","0.004","90","","3744.6","1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(18-crown-6 potassium) dinitrobenzene","","- C30 H52 K2 N2 O16 -","- C30 H52 K2 N2 O16 -","- C120 H208 K8 N8 O64 -","4","1","","Jian-Ming Lü; Sergiy V. Rosokha; Sergey V. Lindeman; Ivan S. Neretin; Jay K. Kochi","""Separated"" versus ""Contact"" Ion-Pair Structures in Solution from Their Crystalline States: Dynamic Effects on Dinitrobenzenide as a Mixed-Valence Anion","Journal of the American Chemical Society","2005","127","","1797","1809","10.1021/ja043998x","","","0.71073","MoKα","","0.0933","0.0542","","0.1513","","0.1244","","","1.006","","","1.06","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111455","8.551","0.001","10.112","0.002","26.361","0.005","91.776","0.005","98.641","0.005","99.773","0.01","2217.1","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H64 B F3 K N O7.5 -","- C44 H64 B F3 K N O7.5 -","- C88 H128 B2 F6 K2 N2 O15 -","2","1","","Laurent F. Groux; Thomas Weiss; Dastigiri N. Reddy; Preston A. Chase; Warren E. Piers; Tom Ziegler; Masood Parvez; Jordi Benet-Buchholz","Insertion of Acrylonitrile into Palladium Methyl Bonds in Neutral and Anionic Pd(II) Complexes","Journal of the American Chemical Society","2005","127","","1854","1869","10.1021/ja044119+","","","0.71073","MoKα","","0.1069","0.0484","","","0.1036","0.1238","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111456","13.9617","0.0012","14.0737","0.0011","17.2592","0.0014","93.22","0.004","110.871","0.003","98.433","0.003","3112.9","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.5 H45.5 N3 O Pd -","- C30.485 H45.48 N3 O Pd -","- C121.94 H181.92 N12 O4 Pd4 -","4","2","","Laurent F. Groux; Thomas Weiss; Dastigiri N. Reddy; Preston A. Chase; Warren E. Piers; Tom Ziegler; Masood Parvez; Jordi Benet-Buchholz","Insertion of Acrylonitrile into Palladium Methyl Bonds in Neutral and Anionic Pd(II) Complexes","Journal of the American Chemical Society","2005","127","","1854","1869","10.1021/ja044119+","","","0.71073","MoKα","","0.1446","0.0493","","","0.0899","0.1095","","","","","","0.773","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111457","23.574","0.002","14.38","0.003","31.49","0.004","90","","90","","90","","10675","3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26.22 H36.44 Cl0.44 N2 O Pd -","- C26.22 H36 Cl0.44 N2 O Pd -","- C419.52 H576 Cl7.04 N32 O16 Pd16 -","16","2","","Laurent F. Groux; Thomas Weiss; Dastigiri N. Reddy; Preston A. Chase; Warren E. Piers; Tom Ziegler; Masood Parvez; Jordi Benet-Buchholz","Insertion of Acrylonitrile into Palladium Methyl Bonds in Neutral and Anionic Pd(II) Complexes","Journal of the American Chemical Society","2005","127","","1854","1869","10.1021/ja044119+","","","0.71073","MoKα","","0.0778","0.0446","","","0.1086","0.125","","","","","","1.064","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111458","14.004","0.004","16.841","0.005","21.172","0.006","85.573","0.017","80.042","0.016","88.58","0.02","4903","2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H69.5 B F3 K N2.5 O7 P Pd -","- C42 H69.5 B F3 K N2.5 O7 P Pd -","- C168 H278 B4 F12 K4 N10 O28 P4 Pd4 -","4","2","","Laurent F. Groux; Thomas Weiss; Dastigiri N. Reddy; Preston A. Chase; Warren E. Piers; Tom Ziegler; Masood Parvez; Jordi Benet-Buchholz","Insertion of Acrylonitrile into Palladium Methyl Bonds in Neutral and Anionic Pd(II) Complexes","Journal of the American Chemical Society","2005","127","","1854","1869","10.1021/ja044119+","","","0.71073","MoKα","","0.1237","0.0629","","","0.1249","0.1561","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111459","23.5116","0.0012","17.1359","0.0008","27.4042","0.0014","90","","113.717","0.002","90","","10108.5","0.9","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C92 H132 Cl4 N9 O3 Pd3 -","- C92 H131.992 Cl3.992 N9 O3 Pd3 -","- C368 H527.968 Cl15.968 N36 O12 Pd12 -","4","1","","Laurent F. Groux; Thomas Weiss; Dastigiri N. Reddy; Preston A. Chase; Warren E. Piers; Tom Ziegler; Masood Parvez; Jordi Benet-Buchholz","Insertion of Acrylonitrile into Palladium Methyl Bonds in Neutral and Anionic Pd(II) Complexes","Journal of the American Chemical Society","2005","127","","1854","1869","10.1021/ja044119+","","","0.71073","MoKα","","0.1801","0.0889","","","0.206","0.2707","","","","","","1.11","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111460","9.5911","0.0004","38.692","0.002","5.0505","0.0002","90","","90","","90","","1874.23","0.14","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","0.5","","Hegui Gong; Michael J. Krische","Duplex Molecular Strands Based on the 3,6-Diaminopyridazine Hydrogen Bonding Motif: Amplifying Small-Molecule Self-Assembly Preferences through Preorganization and Iterative Arrangement of Binding Residues","Journal of the American Chemical Society","2005","127","","1719","1725","10.1021/ja044566p","","","0.71073","MoKα","","0.0832","0.0452","","","0.0987","0.1148","","","","","","1.019","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111461","20.6093","0.0009","9.6923","0.0004","16.071","0.0006","90","","97.685","0.002","90","","3181.4","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H84 N16 O4 -","- C70 H84 N16 O4 -","- C140 H168 N32 O8 -","2","0.5","","Hegui Gong; Michael J. Krische","Duplex Molecular Strands Based on the 3,6-Diaminopyridazine Hydrogen Bonding Motif: Amplifying Small-Molecule Self-Assembly Preferences through Preorganization and Iterative Arrangement of Binding Residues","Journal of the American Chemical Society","2005","127","","1719","1725","10.1021/ja044566p","","","0.71073","MoKα","","0.2277","0.1532","","","0.1801","0.2088","","","","","","2.202","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111462","7.8166","0.0002","14.6283","0.0005","9.1974","0.0003","90","","107.032","0.002","90","","1005.54","0.06","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C4 H6 N4 -","- C4 H6 N4 -","- C32 H48 N32 -","8","1","","Hegui Gong; Michael J. Krische","Duplex Molecular Strands Based on the 3,6-Diaminopyridazine Hydrogen Bonding Motif: Amplifying Small-Molecule Self-Assembly Preferences through Preorganization and Iterative Arrangement of Binding Residues","Journal of the American Chemical Society","2005","127","","1719","1725","10.1021/ja044566p","","","0.71073","MoKα","","0.0664","0.0403","","","0.0999","0.1122","","","","","","1.05","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111463","16.4143","0.0015","14.1225","0.0013","20.7686","0.0019","90","","109.186","0.002","90","","4547","0.7","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H56 B Fe N P3 -","- C55 H56 B Fe N P3 -","- C220 H224 B4 Fe4 N4 P12 -","4","1","","Steven D. Brown; Jonas C. Peters","Ground-State Singlet L3Fe-(μ-N)-FeL3 and L3Fe(NR) Complexes Featuring Pseudotetrahedral Fe(II) Centers","Journal of the American Chemical Society","2005","127","","1913","1923","10.1021/ja0453073","","","0.71073","MoKα","","0.0798","0.0489","","","0.0982","0.1031","","","","","","1.887","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111464","13.0738","0.001","14.2209","0.0011","14.6878","0.0012","118.227","0.001","95.229","0.001","111.09","0.001","2128.4","0.3","96","2","96","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H47 B Fe N3 P3 -","- C51 H47 B Fe N3 P3 -","- C102 H94 B2 Fe2 N6 P6 -","2","1","","Steven D. Brown; Jonas C. Peters","Ground-State Singlet L3Fe-(μ-N)-FeL3 and L3Fe(NR) Complexes Featuring Pseudotetrahedral Fe(II) Centers","Journal of the American Chemical Society","2005","127","","1913","1923","10.1021/ja0453073","","","0.71073","MoKα","","0.0562","0.0396","","","0.0858","0.0893","","","","","","1.809","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111465","12.173","0.003","14.051","0.004","22.131","0.006","71.61","0.004","79.79","0.004","68.373","0.004","3331.2","1.5","96","2","96","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H100 B Fe N2 O P3 -","- C75 H100 B Fe N2 O P3 -","- C150 H200 B2 Fe2 N4 O2 P6 -","2","1","","Steven D. Brown; Jonas C. Peters","Ground-State Singlet L3Fe-(μ-N)-FeL3 and L3Fe(NR) Complexes Featuring Pseudotetrahedral Fe(II) Centers","Journal of the American Chemical Society","2005","127","","1913","1923","10.1021/ja0453073","","","0.71073","MoKα","","0.0755","0.047","","","0.0972","0.103","","","","","","1.826","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111466","16.791","0.0008","13.7352","0.0006","43.299","0.002","90","","93.653","0.001","90","","9965.7","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C114 H130 B2 Fe2 N Na O6 P6 -","- C114 H130 B2 Fe2 N Na O6 P6 -","- C456 H520 B8 Fe8 N4 Na4 O24 P24 -","4","1","","Steven D. Brown; Jonas C. Peters","Ground-State Singlet L3Fe-(μ-N)-FeL3 and L3Fe(NR) Complexes Featuring Pseudotetrahedral Fe(II) Centers","Journal of the American Chemical Society","2005","127","","1913","1923","10.1021/ja0453073","","","0.71073","MoKα","","0.1239","0.065","","","0.094","0.1004","","","","","","1.508","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111467","14.277","0.0002","9.3405","0.0004","17.8241","0.0005","90","","90","","90","","2376.92","0.13","150","1","150","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H26 Fe Ni2 Si -","- C29 H26 Fe Ni2 Si -","- C116 H104 Fe4 Ni8 Si4 -","4","1","","Wing Yan Chan; Scott B. Clendenning; Andrea Berenbaum; Alan J. Lough; Stephane Aouba; Harry E. Ruda; Ian Manners","Highly Metallized Polymers: Synthesis, Characterization, and Lithographic Patterning of Polyferrocenylsilanes with Pendant Cobalt, Molybdenum, and Nickel Cluster Substituents","Journal of the American Chemical Society","2005","127","","1765","1772","10.1021/ja045386i","","","0.71073","MoKα","","0.048","0.0347","","","0.0742","0.0803","","","","","","1.043","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111468","14.4356","0.0004","15.5402","0.0003","25.6347","0.0006","90","","90","","90","","5750.7","0.2","116.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H39 N Zr -","- C37 H39 N Zr -","- C296 H312 N8 Zr8 -","8","1","","Forrest E. Michael; Andrew P. Duncan; Zachary K. Sweeney; Robert G. Bergman","Rearrangements and Stereomutations of Metallacycles Derived from Allenes and Imidozirconium Complexes","Journal of the American Chemical Society","2005","127","","1752","1764","10.1021/ja045607k","","","0.7107","MoKα","","","0.0381","","","","0.0428","","","","","","1.383","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111469","16.713","0.01","7.98","0.005","16.138","0.009","90","","92.41","0.01","90","","2150","2","143.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 N Zr -","- C27 H33 N Zr -","- C108 H132 N4 Zr4 -","4","1","","Forrest E. Michael; Andrew P. Duncan; Zachary K. Sweeney; Robert G. Bergman","Rearrangements and Stereomutations of Metallacycles Derived from Allenes and Imidozirconium Complexes","Journal of the American Chemical Society","2005","127","","1752","1764","10.1021/ja045607k","","","0.7107","MoKα","","","0.047","","","","0.0479","","","","","","1.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111470","9.1388","0.0005","13.1102","0.0007","16.0211","0.0009","66.542","0.001","78.127","0.001","82.211","0.001","1720.12","0.16","133.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H41 N Sn Zr -","- C39.5 H41 N Sn Zr -","- C79 H82 N2 Sn2 Zr2 -","2","1","","Forrest E. Michael; Andrew P. Duncan; Zachary K. Sweeney; Robert G. Bergman","Rearrangements and Stereomutations of Metallacycles Derived from Allenes and Imidozirconium Complexes","Journal of the American Chemical Society","2005","127","","1752","1764","10.1021/ja045607k","","","0.7107","MoKα","","","0.0407","","","","0.0535","","","","","","1.769","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111471","9.846","0.0008","18.663","0.001","14.673","0.001","90","","106.62","0.001","90","","2583.6","0.3","143.2","","143.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 N Zr -","- C31 H39 N Zr -","- C124 H156 N4 Zr4 -","4","1","","Forrest E. Michael; Andrew P. Duncan; Zachary K. Sweeney; Robert G. Bergman","Rearrangements and Stereomutations of Metallacycles Derived from Allenes and Imidozirconium Complexes","Journal of the American Chemical Society","2005","127","","1752","1764","10.1021/ja045607k","","","0.7107","MoKα","","0.0695","0.0351","","","0.0362","0.0409","","","","","","1.23","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111472","15.037","0.002","15.037","0.002","17.395","0.003","90","","90","","120","","3406.3","0.9","173","2","173","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","Complex 3","","","- C15.5 H33 Cl F6 Fe N4 P S -","- C15.5 H33 Cl F6 Fe N4 P S -","- C93 H198 Cl6 F36 Fe6 N24 P6 S6 -","6","0.5","","Adam T. Fiedler; Heather L. Halfen; Jason A. Halfen; Thomas C. Brunold","Synthesis, Structure Determination, and Spectroscopic/Computational Characterization of a Series of Fe(II)-Thiolate Model Complexes: Implications for Fe-S Bonding in Superoxide Reductases","Journal of the American Chemical Society","2005","127","","1675","1689","10.1021/ja046939s","","","0.71073","MoKα","","0.1149","0.071","","","0.1752","0.2041","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111473","17.952","0.002","16.829","0.002","17.932","0.002","90","","90","","90","","5417.5","1.1","123","2","123","2","","","","","","","","7","P n a 21","P 2c -2n","33","040038","","","- C22 H39 F3 Fe N4 O4 S2 -","- C21.9985 H39 F3 Fe N4 O4 S1.9985 -","- C175.988 H312 F24 Fe8 N32 O32 S15.988 -","8","2","","Adam T. Fiedler; Heather L. Halfen; Jason A. Halfen; Thomas C. Brunold","Synthesis, Structure Determination, and Spectroscopic/Computational Characterization of a Series of Fe(II)-Thiolate Model Complexes: Implications for Fe-S Bonding in Superoxide Reductases","Journal of the American Chemical Society","2005","127","","1675","1689","10.1021/ja046939s","","","0.71073","MoKα","","0.0767","0.0543","","","0.1165","0.1276","","","","","","1.006","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111474","12.061","0.001","15.232","0.001","12.918","0","90","","102.32","0","90","","2318.6","0.2","273.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-hydroxy-7-phenylindan-1-one","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","2","","Wender, Paul A.; Gamber, Gabriel G.; Hubbard, Robert D.; Pham, Son M.; Zhang, Lei","Multicomponent Cycloadditions: The Four-Component [5+1+2+1] Cycloaddition of Vinylcyclopropanes, Alkynes, and CO","Journal of the American Chemical Society","2005","127","9","2836","2837","10.1021/ja042728b","","","0.7107","MoKα","","","0.042","","","","0.11","","","","","","0.884","","","","has coordinates","210881","2020-10-21","18:00:00",""
"4111475","11.154","0.001","24.671","0.003","35.434","0.006","90","","90","","90","","9751","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H50 Cl2 Os P2 -","- C59 H50 Cl2 Os P2 -","- C472 H400 Cl16 Os8 P16 -","8","1","","Ting Bin Wen; Wai Yiu Hung; Herman H. Y. Sung; Ian D. Williams; Guochen Jia","Syntheses of Metallabenzynes from an Allenylcarbene Complex","Journal of the American Chemical Society","2005","127","","2856","2857","10.1021/ja0429061","","","0.71073","MoKα","","0.143","0.059","","","0.1126","0.1426","","","","","","1.009","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111476","12.7467","0.0011","14.0114","0.0012","17.2587","0.0015","77.178","0.002","70.503","0.002","78.564","0.002","2807.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H50 Cl4 Os P2 -","- C61 H50 Cl4 Os P2 -","- C122 H100 Cl8 Os2 P4 -","2","1","","Ting Bin Wen; Wai Yiu Hung; Herman H. Y. Sung; Ian D. Williams; Guochen Jia","Syntheses of Metallabenzynes from an Allenylcarbene Complex","Journal of the American Chemical Society","2005","127","","2856","2857","10.1021/ja0429061","","","0.71073","MoKα","","0.1903","0.0679","","","0.1476","0.1887","","","","","","0.881","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111477","12.5348","0.0008","13.5531","0.0008","17.753","0.0011","95.84","0.001","100.034","0.001","116.607","0.001","2599.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H52 Cl4 Os P2 -","- C62 H52 Cl4 Os P2 -","- C124 H104 Cl8 Os2 P4 -","2","1","","Ting Bin Wen; Wai Yiu Hung; Herman H. Y. Sung; Ian D. Williams; Guochen Jia","Syntheses of Metallabenzynes from an Allenylcarbene Complex","Journal of the American Chemical Society","2005","127","","2856","2857","10.1021/ja0429061","","","0.71073","MoKα","","0.0566","0.0427","","","0.0776","0.0816","","","","","","0.972","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111478","12.6117","0.0007","13.9967","0.0008","16.439","0.0009","76.998","0.001","73.868","0.001","78.661","0.001","2688.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H56 Cl6 Os P2 -","- C60 H56 Cl6 Os P2 -","- C120 H112 Cl12 Os2 P4 -","2","1","","Ting Bin Wen; Wai Yiu Hung; Herman H. Y. Sung; Ian D. Williams; Guochen Jia","Syntheses of Metallabenzynes from an Allenylcarbene Complex","Journal of the American Chemical Society","2005","127","","2856","2857","10.1021/ja0429061","","","0.71073","MoKα","","0.0377","0.0329","","","0.0805","0.0824","","","","","","1.031","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111479","13.0714","0.0002","19.7126","0.0005","17.3751","0.0004","90","","95.9628","0.0012","90","","4452.84","0.17","150","1","150","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30.5 H49 Cl1.5 F6 N2 O11 Pd S2 -","- C30.5 H49 Cl1.5 F6 N2 O11 Pd S2 -","- C122 H196 Cl6 F24 N8 O44 Pd4 S8 -","4","1","","Candace N. Cornell; Matthew S. Sigman","Discovery of and Mechanistic Insight into a Ligand-Modulated Palladium-Catalyzed Wacker Oxidation of Styrenes Using TBHP","Journal of the American Chemical Society","2005","127","","2796","2797","10.1021/ja043203m","","","0.71073","MoKα","","0.0764","0.0602","","","0.1587","0.1697","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111480","6.2614","0.001","8.3523","0.0014","17.417","0.003","76.737","0.003","88.019","0.003","88.673","0.003","885.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N O2 S -","- C21 H27 N O2 S -","- C42 H54 N2 O4 S2 -","2","1","","Jodie L. Brice; Jenna E. Harang; Vitaliy I. Timokhin; Natia R. Anastasi; Shannon S. Stahl","Aerobic Oxidative Amination of Unactivated Alkenes Catalyzed by Palladium","Journal of the American Chemical Society","2005","127","","2868","2869","10.1021/ja0433020","","","0.71073","MoKα","","0.083","0.071","","","0.1616","0.1661","","","","","","1.287","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111481","8.1137","0.0005","13.1016","0.0007","39.0663","0.0014","90","","92.2016","0.0003","90","","4149.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 N4 -","- C52 H50 N4 -","- C208 H200 N16 -","4","1","","Bun Yeoul Lee; Heon Yong Kwon; Su Yeon Lee; Sung Jae Na; Song-i Han; Hoseop Yun; Hyosun Lee; Young-Whan Park","Bimetallic Anilido-Aldimine Zinc Complexes for Epoxide/CO2 Copolymerization","Journal of the American Chemical Society","2005","127","","3031","3037","10.1021/ja0435135","","","0.71073","MoKα","","0.1079","0.0528","","","0.1026","0.1234","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111482","24.4623","0.001","12.9181","0.0003","24.3219","0.001","90","","118.462","0.001","90","","6756.9","0.4","293","2","150","2","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C68 H83 N4 O4.5 S2 Zn2 -","- C68 H83 N4 O4.5 S2 Zn2 -","- C272 H332 N16 O18 S8 Zn8 -","4","1","","Bun Yeoul Lee; Heon Yong Kwon; Su Yeon Lee; Sung Jae Na; Song-i Han; Hoseop Yun; Hyosun Lee; Young-Whan Park","Bimetallic Anilido-Aldimine Zinc Complexes for Epoxide/CO2 Copolymerization","Journal of the American Chemical Society","2005","127","","3031","3037","10.1021/ja0435135","","","0.71073","MoKα","","0.1097","0.0717","","","0.2156","0.2316","","","","","","1.057","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111483","41.0701","0.0002","15.8235","0.0005","22.6557","0.0008","90","","101.666","0.002","90","","14419.2","0.7","293","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H72 N4 O4 S2 Zn2 -","- C71 H69 N4 O4 S2 Zn2 -","- C568 H552 N32 O32 S16 Zn16 -","8","1","","Bun Yeoul Lee; Heon Yong Kwon; Su Yeon Lee; Sung Jae Na; Song-i Han; Hoseop Yun; Hyosun Lee; Young-Whan Park","Bimetallic Anilido-Aldimine Zinc Complexes for Epoxide/CO2 Copolymerization","Journal of the American Chemical Society","2005","127","","3031","3037","10.1021/ja0435135","","","0.71073","MoKα","","0.1395","0.0864","","","0.265","0.2907","","","","","","1.019","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111484","25.912","0.005","17.308","0.004","9.044","0.0018","90","","90","","90","","4056.1","1.5","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","tris-(μ-2-Di-t-butylphosphido)-tricarbonyl-triangulo-tri-platinum(i,i,ii) trifluoromethanesulfonate","","- C28 H54 F3 O6 P3 Pt3 S -","- C28 H55 F3 O6 P3 Pt3 S -","- C112 H220 F12 O24 P12 Pt12 S4 -","4","0.5","","Fabrizia Fabrizi de Biani; Andrea Ienco; Franco Laschi; Piero Leoni; Fabio Marchetti; Lorella Marchetti; Carlo Mealli; Piero Zanello","Formation and Characterization of the Hexanuclear Platinum Cluster [Pt~6~(μ-P-t-Bu~2~)~4~(CO)~6~](CF~3~SO~3~)~2~ through Structural, Electrochemical and Computational Analyses","Journal of the American Chemical Society","2005","127","","3076","3089","10.1021/ja043626o","","","0.71073","MoKα","","0.11","0.0556","","","0.112","0.1364","","","","","","1.03","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111485","11.5608","0.0011","12.2314","0.0012","11.4007","0.0011","90","","111.596","0.002","90","","1498.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N O6 Sn -","- C11 H17 N O6 Sn -","- C44 H68 N4 O24 Sn4 -","4","1","","Reyes García-Zarracino; Herbert Höpfl","Self-Assembly of Diorganotin(IV) Oxides (R = Me,nBu, Ph) and 2,5-Pyridinedicarboxylic Acid to Polymeric and Trinuclear Macrocyclic Hybrids with Porous Solid-State Structures: Influence of Substituents and Solvent on the Supramolecular Structure","Journal of the American Chemical Society","2005","127","","3120","3130","10.1021/ja0437095","","","0.71073","MoKα","","0.0418","0.0362","","","0.0794","0.082","","","","","","1.172","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111486","26.594","0.004","9.5792","0.0014","24.2","0.004","90","","114.73","0.003","90","","5599.5","1.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H77 N3 O16 Sn3 -","- C48 H75 N3 O16 Sn3 -","- C192 H300 N12 O64 Sn12 -","4","1","","Reyes García-Zarracino; Herbert Höpfl","Self-Assembly of Diorganotin(IV) Oxides (R = Me,nBu, Ph) and 2,5-Pyridinedicarboxylic Acid to Polymeric and Trinuclear Macrocyclic Hybrids with Porous Solid-State Structures: Influence of Substituents and Solvent on the Supramolecular Structure","Journal of the American Chemical Society","2005","127","","3120","3130","10.1021/ja0437095","","","0.71073","MoKα","","0.0886","0.0751","","","0.1452","0.1516","","","","","","1.086","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111487","16.214","0.014","16.214","0.014","17.23","0.02","90","","90","","120","","3923","7","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C57 H99 N3 O18 S6 Sn3 -","- C57 H81 N3 O18 S6 Sn3 -","- C114 H162 N6 O36 S12 Sn6 -","2","0.166667","","Reyes García-Zarracino; Herbert Höpfl","Self-Assembly of Diorganotin(IV) Oxides (R = Me,nBu, Ph) and 2,5-Pyridinedicarboxylic Acid to Polymeric and Trinuclear Macrocyclic Hybrids with Porous Solid-State Structures: Influence of Substituents and Solvent on the Supramolecular Structure","Journal of the American Chemical Society","2005","127","","3120","3130","10.1021/ja0437095","","","0.71073","MoKα","","0.0944","0.0611","","","0.1782","0.2012","","","","","","1.098","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111488","25.1483","0.001","25.1483","0.001","25.1483","0.001","90","","90","","90","","15904.7","1.1","100","2","100","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C54 H96 N3 O19.5 Sn3 -","- C54 H87 N3 O19.5 Sn3 -","- C432 H696 N24 O156 Sn24 -","8","0.333333","","Reyes García-Zarracino; Herbert Höpfl","Self-Assembly of Diorganotin(IV) Oxides (R = Me,nBu, Ph) and 2,5-Pyridinedicarboxylic Acid to Polymeric and Trinuclear Macrocyclic Hybrids with Porous Solid-State Structures: Influence of Substituents and Solvent on the Supramolecular Structure","Journal of the American Chemical Society","2005","127","","3120","3130","10.1021/ja0437095","","","0.71073","MoKα","","0.093","0.0916","","","0.2275","0.2285","","","","","","1.28","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111489","17.878","0.003","17.958","0.003","18.053","0.003","102.151","0.003","104.815","0.004","119.645","0.003","4461.1","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H87 N3 O20 S8 Sn3 -","- C71 H75 N3 O19 S8 Sn3 -","- C142 H150 N6 O38 S16 Sn6 -","2","1","","Reyes García-Zarracino; Herbert Höpfl","Self-Assembly of Diorganotin(IV) Oxides (R = Me,nBu, Ph) and 2,5-Pyridinedicarboxylic Acid to Polymeric and Trinuclear Macrocyclic Hybrids with Porous Solid-State Structures: Influence of Substituents and Solvent on the Supramolecular Structure","Journal of the American Chemical Society","2005","127","","3120","3130","10.1021/ja0437095","","","0.71073","MoKα","","0.2035","0.0904","","","0.2316","0.2912","","","","","","0.963","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111490","14.3976","0.0007","20.3199","0.0009","14.8154","0.0007","90","","112.971","0.001","90","","3990.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H53 K N4 O9 -","- C40 H53 K N4 O9 -","- C160 H212 K4 N16 O36 -","4","1","","Joseph M. Mahoney; Kenneth A. Stucker; Hua Jiang; Ian Carmichael; Nicole R. Brinkmann; Alicia M. Beatty; Bruce C. Noll; Bradley D. Smith","Molecular Recognition of Trigonal Oxyanions Using a Ditopic Salt Receptor: Evidence for Anisotropic Shielding Surface around Nitrate Anion","Journal of the American Chemical Society","2005","127","","2922","2928","10.1021/ja0440295","","","0.71073","MoKα","","0.0559","0.0481","","","0.1361","0.1441","","","","","","1.033","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111491","11.0352","0.0005","13.6633","0.0006","27.7361","0.0013","90","","98.894","0.001","90","","4131.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 K N5 O10 -","- C40 H54 K N5 O10 -","- C160 H216 K4 N20 O40 -","4","1","","Joseph M. Mahoney; Kenneth A. Stucker; Hua Jiang; Ian Carmichael; Nicole R. Brinkmann; Alicia M. Beatty; Bruce C. Noll; Bradley D. Smith","Molecular Recognition of Trigonal Oxyanions Using a Ditopic Salt Receptor: Evidence for Anisotropic Shielding Surface around Nitrate Anion","Journal of the American Chemical Society","2005","127","","2922","2928","10.1021/ja0440295","","","0.71073","MoKα","","0.0893","0.0813","","","0.2207","0.2283","","","","","","1.068","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111492","10.785","0.002","13.577","0.003","14.016","0.003","87.596","0.004","79.17","0.004","76.86","0.004","1963","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H54 Li N5 O11 -","- C38 H54 Li N5 O11 -","- C76 H108 Li2 N10 O22 -","2","1","","Joseph M. Mahoney; Kenneth A. Stucker; Hua Jiang; Ian Carmichael; Nicole R. Brinkmann; Alicia M. Beatty; Bruce C. Noll; Bradley D. Smith","Molecular Recognition of Trigonal Oxyanions Using a Ditopic Salt Receptor: Evidence for Anisotropic Shielding Surface around Nitrate Anion","Journal of the American Chemical Society","2005","127","","2922","2928","10.1021/ja0440295","","","0.71073","MoKα","","0.1448","0.1088","","","0.2911","0.3381","","","","","","1.051","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111493","13.1842","0.0002","13.3913","0.0002","25.3011","0.0005","76.996","0.001","77.41","0.001","72.797","0.001","4102.34","0.12","100","2","100","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C40.72 H55.46 N5 Na O9.37 -","- C38 H49.691 N5 Na O8 -","- C152 H198.764 N20 Na4 O32 -","4","2","","Joseph M. Mahoney; Kenneth A. Stucker; Hua Jiang; Ian Carmichael; Nicole R. Brinkmann; Alicia M. Beatty; Bruce C. Noll; Bradley D. Smith","Molecular Recognition of Trigonal Oxyanions Using a Ditopic Salt Receptor: Evidence for Anisotropic Shielding Surface around Nitrate Anion","Journal of the American Chemical Society","2005","127","","2922","2928","10.1021/ja0440295","","x-ray","0.71073","MoKα","","0.0904","0.0821","","","0.2232","0.2307","","","","","","1.073","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111494","13.2057","0.0006","13.2493","0.0007","13.4351","0.0007","74.552","0.001","74.532","0.001","73.806","0.001","2128.34","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.2 H56.4 N5 Na O10.6 -","- C41.2 H50 N5 Na O10.6 -","- C82.4 H100 N10 Na2 O21.2 -","2","1","","Joseph M. Mahoney; Kenneth A. Stucker; Hua Jiang; Ian Carmichael; Nicole R. Brinkmann; Alicia M. Beatty; Bruce C. Noll; Bradley D. Smith","Molecular Recognition of Trigonal Oxyanions Using a Ditopic Salt Receptor: Evidence for Anisotropic Shielding Surface around Nitrate Anion","Journal of the American Chemical Society","2005","127","","2922","2928","10.1021/ja0440295","","","0.71073","MoKα","","0.0996","0.0723","","","0.2001","0.2233","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111495","35.975","0.004","4.646","0.008","9.8781","0.001","90","","99.846","0.01","90","","1627","3","150","","150","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N4 O2 -","- C18 H22 N4 O2 -","- C72 H88 N16 O8 -","4","0.5","","Rolf A. Koevoets; Ron M. Versteegen; Huub Kooijman; Anthony L. Spek; Rint P. Sijbesma; E. W. Meijer","Molecular Recognition in a Thermoplastic Elastomer","Journal of the American Chemical Society","2005","127","","2999","3003","10.1021/ja0451160","","x-ray","0.71073","MoKα","","0.0435","0.0373","","","0.1014","0.1067","","","","","","1.03","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111496","42.055","0.004","4.633","0.01","9.7768","0.001","90","","91.008","0.01","90","","1905","4","150","","150","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H28 N4 O2 -","- C21 H28 N4 O2 -","- C84 H112 N16 O8 -","4","0.5","","Rolf A. Koevoets; Ron M. Versteegen; Huub Kooijman; Anthony L. Spek; Rint P. Sijbesma; E. W. Meijer","Molecular Recognition in a Thermoplastic Elastomer","Journal of the American Chemical Society","2005","127","","2999","3003","10.1021/ja0451160","","x-ray","0.71073","MoKα","","0.0582","0.0378","","","0.0975","0.1082","","","","","","1.033","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111497","9.877","0.003","11.162","0.004","12.536","0.005","87.32","0.02","70.98","0.02","74.77","0.02","1259.6","0.8","117.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H56 Fe Mn2 N11 O8 -","- C50 H36 Fe Mn2 N11 O8 -","- C50 H36 Fe Mn2 N11 O8 -","1","0.5","","Marilena Ferbinteanu; Hitoshi Miyasaka; Wolfgang Wernsdorfer; Kazuya Nakata; Ken-ichi Sugiura; Masahiro Yamashita; Claude Coulon; Rodolphe Clérac","Single-Chain Magnet (NEt4)[Mn2(5-MeOsalen)2Fe(CN)6] Made of MnIII-FeIII-MnIII Trinuclear Single-Molecule Magnet with an ST=9/2 Spin Ground State","Journal of the American Chemical Society","2005","127","","3090","3099","10.1021/ja0468123","","","0.7107","MoKα","","","0.052","","","","0.148","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111498","13.4068","0.0003","17.5452","0.0003","17.0553","0.0003","90","","98.382","0.0011","90","","3968.98","0.13","150","","150","","","","","","","","?","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 Br0.159 Cl0.841 N2 Rh -","- C23 H26 Br0.159 Cl0.841 N2 Rh -","- C184 H208 Br1.272 Cl6.728 N16 Rh8 -","8","1","","Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta","Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2005","127","","3290","3291","10.1021/ja0423769","","","0.71073","MoKα","","0.0498","0.0285","","0.0523","0.0314","0.0314","","","","","","1.1101","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111499","7.1357","0.0002","18.8754","0.0003","16.0479","0.0003","90","","101.059","0.0006","90","","2121.34","0.08","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl N2 Rh -","- C26 H26 Cl N2 Rh -","- C104 H104 Cl4 N8 Rh4 -","4","1","","Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta","Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2005","127","","3290","3291","10.1021/ja0423769","","","0.71073","MoKα","","0.0341","0.0248","","0.0367","0.0266","0.0266","","","","","","1.1041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111500","11.2109","0.0002","29.7099","0.0003","13.0667","0.0002","90","","112.993","0.0004","90","","4006.43","0.1","150","","150","","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H42 Cl2 F6 N4 P Rh -","- C45 H42 Cl2 F6 N4 P Rh -","- C180 H168 Cl8 F24 N16 P4 Rh4 -","4","1","","Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta","Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2005","127","","3290","3291","10.1021/ja0423769","","","0.71073","MoKα","","0.0511","0.0327","","0.0536","0.037","0.037","","","","","","1.1065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111501","12.0824","0.0002","21.391","0.0002","34.5673","0.0005","90","","90","","90","","8934.1","0.2","150","","150","","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C44 H52 Cl4 F6 N4 P Rh -","- C44 H52 Cl4 F6 N4 P Rh -","- C352 H416 Cl32 F48 N32 P8 Rh8 -","8","1","","Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta","Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2005","127","","3290","3291","10.1021/ja0423769","","","0.71073","MoKα","","0.1039","0.0513","","0.0961","0.059","0.059","","","","","","1.1105","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111502","16.2854","0.0002","12.0729","0.0002","16.4613","0.0003","90","","109.007","0.0005","90","","3060.03","0.08","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 F6 N4 P Rh -","- C30 H40 F6 N4 P Rh -","- C120 H160 F24 N16 P4 Rh4 -","4","1","","Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta","Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2005","127","","3290","3291","10.1021/ja0423769","","","0.71073","MoKα","","0.0332","0.024","","0.0344","0.0275","0.0275","","","","","","1.0679","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111503","10.8871","0.0012","15.1353","0.0017","16.6062","0.0018","87.413","0.005","89.292","0.005","76.47","0.005","2657.7","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32.5 Cl N2 O0.25 Rh -","- C30 H32.5 Cl N2 O0.25 Rh -","- C120 H130 Cl4 N8 O Rh4 -","4","2","","Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta","Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2005","127","","3290","3291","10.1021/ja0423769","","","0.71073","MoKα","","0.065","0.0354","","","0.0874","0.0949","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111504","27.9984","0.0009","9.7494","0.0003","28.6619","0.0009","90","","96.636","0.002","90","","7771.4","0.4","100","2","100","2","","","","","","","synthesized","5","C 1 c 1","C -2yc","9","","","","- C80 H68 Cl12 N6 O6 -","- C80 H68 Cl12 N6 O6 -","- C320 H272 Cl48 N24 O24 -","4","1","","Easwaran Arunkumar; Christopher C. Forbes; Bruce C. Noll; Bradley D. Smith","Squaraine-Derived Rotaxanes: Sterically Protected Fluorescent Near-IR Dyes","Journal of the American Chemical Society","2005","127","","3288","3289","10.1021/ja042404n","","x-ray","0.71073","MoKα","","0.0909","0.0651","","","0.1589","0.1894","","","","","","1.056","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111505","9.7987","0.0001","10.9613","0.0002","14.49","0.0002","86.839","0.001","78.258","0.001","77.305","0.001","1486.41","0.04","100","2","100","2","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C74 H66 N8 O8 -","- C74 H66 N8 O8 -","- C74 H66 N8 O8 -","1","0.5","","Easwaran Arunkumar; Christopher C. Forbes; Bruce C. Noll; Bradley D. Smith","Squaraine-Derived Rotaxanes: Sterically Protected Fluorescent Near-IR Dyes","Journal of the American Chemical Society","2005","127","","3288","3289","10.1021/ja042404n","","x-ray","0.71073","MoKα","","0.0559","0.0438","","","0.1097","0.1188","","","","","","1.027","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111506","9.7775","0.0008","12.1721","0.001","14.8995","0.0012","90","","104.724","0.001","90","","1715","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 B2 Cl2 Hf N2 -","- C14 H20 B2 Cl2 Hf N2 -","- C56 H80 B8 Cl8 Hf4 N8 -","4","1","","Holger Braunschweig; Manuela Gross; Mario Kraft; Marc O. Kristen; Dirk Leusser","[2]Borametallocenophanes of Zr and Hf: Synthesis, Structure, and Polymerization Activity","Journal of the American Chemical Society","2005","127","","3282","3283","10.1021/ja042408s","","","0.71073","MoKα","","0.0234","0.0202","","","0.0506","0.0518","","","","","","1.071","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111507","9.4999","0.0005","12.044","0.0006","19.6947","0.0009","90","","90","","90","","2253.4","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H37 N3 O5 -","- C23 H37 N3 O5 -","- C92 H148 N12 O20 -","4","1","","Zachary D. Aron; Larry E. Overman","Total Synthesis and Properties of the Crambescidin Core Zwitterionic Acid and Crambescidin 359","Journal of the American Chemical Society","2005","127","","3380","3390","10.1021/ja042875+","","","0.71073","MoKα","","0.062","0.0376","","","0.0744","0.0852","","","","","","1.06","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111508","10.2573","0.0005","11.709","0.0006","13.3613","0.0007","106.38","0.001","102.221","0.001","103.372","0.001","1430.43","0.13","396","2","396","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H76 F12 N8 O4 P2 Rh2 -","- C48 H76 F12 N8 O4 P2 Rh2 -","- C48 H76 F12 N8 O4 P2 Rh2 -","1","0.5","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0415","0.0369","","","0.0852","0.0868","","","","","","1.129","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111509","10.2547","0.0011","11.7363","0.0012","13.3823","0.0014","106.793","0.002","101.576","0.002","103.503","0.002","1435.7","0.3","396","2","396","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H38 F6 Ir N4 O2 P -","- C24 H38 F6 Ir N4 O2 P -","- C48 H76 F12 Ir2 N8 O4 P2 -","2","1","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0331","0.0294","","","0.0721","0.0733","","","","","","1.031","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111510","16.3166","0.001","9.4045","0.0006","22.7153","0.0014","90","","100.553","0.001","90","","3426.7","0.4","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H52 Cl Ir N4 -","- C34 H52 Cl Ir N4 -","- C136 H208 Cl4 Ir4 N16 -","4","1","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0298","0.0283","","","0.0605","0.061","","","","","","1.162","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111511","17.8355","0.0009","16.9486","0.0009","19.1715","0.001","90","","90","","90","","5795.3","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H38 Cl Ir N4 -","- C28 H44 Cl Ir N4 -","- C224 H352 Cl8 Ir8 N32 -","8","1","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0789","0.0707","","","0.1219","0.1247","","","","","","1.24","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111512","15.594","0.004","21.124","0.007","10.373","0.003","90","","128.63","0.009","90","","2669.3","1.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H38 F6 Ir N4 P -","- C22 H38 F6 Ir N4 P -","- C88 H152 F24 Ir4 N16 P4 -","4","0.5","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0557","0.0468","","","0.1164","0.1201","","","","","","1.043","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111513","9.3984","0.0012","18.023","0.002","17.557","0.002","90","","101.315","0.002","90","","2916.1","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 Cl3 N4 O Rh -","- C24 H40 Cl3 N4 O Rh -","- C96 H160 Cl12 N16 O4 Rh4 -","4","1","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0941","0.0765","","","0.1611","0.1683","","","","","","1.146","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111514","13.9687","0.0007","16.8897","0.0008","15.5745","0.0008","90","","108.734","0.001","90","","3479.8","0.3","396","2","396","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H50 Cl Ir N4 O -","- C35 H50 Cl Ir N4 O -","- C140 H200 Cl4 Ir4 N16 O4 -","4","1","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0448","0.0407","","","0.0976","0.0997","","","","","","1.119","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111515","12.965","0.002","7.62","0.002","12.498","0.001","90","","100.246","0.01","90","","1215","0.4","298.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H22 S2 -","- C36 H22 S2 -","- C72 H44 S4 -","2","1","","Kazuo Takimiya; Yoshihito Kunugi; Yuta Toyoshima; Tetsuo Otsubo","2,6-Diarylnaphtho[1,8-bc:5,4-b'c']dithiophenes as New High-Performance Semiconductors for Organic Field-Effect Transistors","Journal of the American Chemical Society","2005","127","","3605","3612","10.1021/ja043429p","","","0.7107","MoKα","","","0.0397","","","","0.1385","","","","","","0.882","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111516","7.3528","0.0001","8.1884","0.0001","28.6857","0.0005","90","","90","","90","","1727.1","0.04","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H14 S2 -","- C24 H14 S2 -","- C96 H56 S8 -","4","0.5","","Kazuo Takimiya; Yoshihito Kunugi; Yuta Toyoshima; Tetsuo Otsubo","2,6-Diarylnaphtho[1,8-bc:5,4-b'c']dithiophenes as New High-Performance Semiconductors for Organic Field-Effect Transistors","Journal of the American Chemical Society","2005","127","","3605","3612","10.1021/ja043429p","","","0.7107","MoKα","","","0.065","","","","0.1821","","","","","","1.487","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111517","7.264","0.003","8.432","0.002","36.215","0.007","90","","90","","90","","2218.2","1.1","298.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H18 S2 -","- C32 H18 S2 -","- C128 H72 S8 -","4","0.5","","Kazuo Takimiya; Yoshihito Kunugi; Yuta Toyoshima; Tetsuo Otsubo","2,6-Diarylnaphtho[1,8-bc:5,4-b'c']dithiophenes as New High-Performance Semiconductors for Organic Field-Effect Transistors","Journal of the American Chemical Society","2005","127","","3605","3612","10.1021/ja043429p","","","0.7107","MoKα","","","0.0405","","","","0.1539","","","","","","0.93","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111518","24.1162","0.0003","24.1162","0.0003","24.1162","0.0003","90","","90","","90","","14025.8","0.3","293","2","293","2","","","","","","","","2","I a -3 d","-I 4bd 2c 3","230","","","","- Rb2 Sn11 -","- Rb2 Sn10.9892 -","- Rb64 Sn351.653 -","32","0.333333","","Franck Dubois; Thomas F. Fässler","Ordering of Vacancies in Type-I Tin Clathrate: Superstructure of Rb8Sn44 2","Journal of the American Chemical Society","2005","127","","3264","3265","10.1021/ja043500r","","x-ray","0.71073","MoKα","","0.0406","0.0329","","","0.0809","0.0849","","","","","","1.154","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111519","20.214","0.003","20.214","0.003","18.353","0.004","90","","90","","120","","6494","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ga13 H72 N15 O99 -","- Ga13 H72 N15 O97.62 -","- Ga39 H216 N45 O292.86 -","3","0.166667","","Elisabeth Rather; Jason T. Gatlin; Paul G. Nixon; Takuji Tsukamoto; Victor Kravtsov; Darren W. Johnson","A Simple Organic Reaction Mediates the Crystallization of the Inorganic Nanocluster [Ga13(μ3-OH)6(μ2-OH)18(H2O)24](NO3)15","Journal of the American Chemical Society","2005","127","","3242","3243","10.1021/ja043520t","","","0.71073","MoKα","","0.0349","0.031","","","0.0969","0.0988","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111520","9.036","0.003","9.763","0.004","33.17","0.06","90","","91.4","0.06","90","","2925","6","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 Al N2 O -","- C30 H45 Al N2 O -","- C120 H180 Al4 N8 O4 -","4","1","","Guangcai Bai; Sanjay Singh; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt","Mononuclear Aluminum Hydroxide for the Design of Well-Defined Homogeneous Catalysts","Journal of the American Chemical Society","2005","127","","3449","3455","10.1021/ja043585w","","","0.71073","MoKα","","0.0846","0.0755","","","0.2231","0.2303","","","","","","1.058","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111521","9.968","0.005","10.314","0.008","19.684","0.016","87.99","0.07","87.06","0.04","68.49","0.05","1880","2","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H57 Al N2 O Zr -","- C41 H57 Al N2 O Zr -","- C82 H114 Al2 N4 O2 Zr2 -","2","1","","Guangcai Bai; Sanjay Singh; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt","Mononuclear Aluminum Hydroxide for the Design of Well-Defined Homogeneous Catalysts","Journal of the American Chemical Society","2005","127","","3449","3455","10.1021/ja043585w","","","0.71073","MoKα","","0.0446","0.043","","","0.1153","0.1171","","","","","","1.093","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111522","18.375","0.002","20.171","0.004","10.0747","0.0009","90","","90","","90","","3734.1","0.9","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C40 H54 Al Cl N2 O Zr -","- C40 H54 Al Cl N2 O Zr -","- C160 H216 Al4 Cl4 N8 O4 Zr4 -","4","0.5","","Guangcai Bai; Sanjay Singh; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt","Mononuclear Aluminum Hydroxide for the Design of Well-Defined Homogeneous Catalysts","Journal of the American Chemical Society","2005","127","","3449","3455","10.1021/ja043585w","","","0.71073","MoKα","","0.0404","0.0364","","","0.0945","0.0987","","","","","","1.061","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111523","12.356","0.0008","13.855","0.0009","14.4095","0.0009","92.114","0.001","106.369","0.001","99.122","0.001","2328.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H64 Er3 I3 O8 S3 -","- C32 H64 Er3 I3 O8 S3 -","- C64 H128 Er6 I6 O16 S6 -","2","1","","Anna Kornienko; Thomas J. Emge; G. Ajith Kumar; Richard E. Riman; John G. Brennan","Lanthanide Clusters with Internal Ln Ions: Highly Emissive Molecules with Solid-State Cores","Journal of the American Chemical Society","2005","127","","3501","3505","10.1021/ja043655z","","","0.71073","MoKα","","0.0504","0.039","","","0.0927","0.0963","","","","","","1.02","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111524","27.688","0.006","18.146","0.004","23.794","0.005","90","","106.39","0.004","90","","11469","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H136 Er10 I6 O17 S6 Se12 -","- C68 H136 Er10 I6 O17 S6 Se12 -","- C272 H544 Er40 I24 O68 S24 Se48 -","4","0.5","","Anna Kornienko; Thomas J. Emge; G. Ajith Kumar; Richard E. Riman; John G. Brennan","Lanthanide Clusters with Internal Ln Ions: Highly Emissive Molecules with Solid-State Cores","Journal of the American Chemical Society","2005","127","","3501","3505","10.1021/ja043655z","","","0.71073","MoKα","","0.1205","0.0615","","","0.1274","0.1454","","","","","","0.924","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111525","6.4935","0.0009","15.047","0.002","10.7907","0.0015","90","","97.773","0.002","90","","1044.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0403","0.0395","","","0.1037","0.1046","","","","","","1.07","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111526","6.646","0.004","15.42","0.008","11.019","0.006","90","","97.734","0.008","90","","1119","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H26.726 N2 O3 -","- C46 H53.452 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.066","0.0622","","","0.1493","0.1514","","","","","","1.115","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4111527","6.4713","0.0005","14.9511","0.0012","10.7063","0.0009","90","","98.223","0.001","90","","1025.22","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0599","0.0569","","","0.1359","0.1373","","","","","","1.168","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4111528","6.4628","0.0006","14.9255","0.0013","10.6919","0.0009","90","","98.389","0.001","90","","1020.31","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-((R)-3-hydroxy-1-isopropyl-2,2-dimethyl-4-oxoazetidin-3-yl)- N-((R)-1-phenylethyl)benzamide","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0401","0.0385","","","0.0962","0.0975","","","","","","1.056","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111529","8.5684","0.0011","12.8865","0.0017","9.826","0.0013","90","","107.977","0.002","90","","1032","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-((R)-3-hydroxy-1-isopropyl-2,2-dimethyl-4-oxoazetidin-3- yl)-N-((R)-1-phenylethyl)benzamide","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0409","0.0378","","","0.0926","0.0948","","","","","","1.041","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111530","6.4651","0.0006","15.1371","0.0014","19.9694","0.0019","90","","90","","90","","1954.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-diisopropylaminooxalyl-N-((R)-1,2-dimethylpropyl)benzamide","","- C20 H30 N2 O3 -","- C20 H30 N2 O3 -","- C80 H120 N8 O12 -","4","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0735","0.0506","","","0.1009","0.1105","","","","","","1.025","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4111531","11.8848","0.0008","7.8596","0.0005","12.7623","0.0008","90","","93.206","0.001","90","","1190.26","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 N2 O6 -","- C25 H30 N2 O6 -","- C50 H60 N4 O12 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.1063","0.0638","","","0.1123","0.1285","","","","","","1.012","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4111532","6.1593","0.0008","13.058","0.0018","35.785","0.005","90","","90","","90","","2878.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 N2 O5 -","- C31 H38 N2 O5 -","- C124 H152 N8 O20 -","4","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0773","0.0668","","","0.1531","0.1606","","","","","","1.11","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4111533","6.4769","0.0007","14.9477","0.0017","14.0075","0.0016","90","","96.317","0.002","90","","1347.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-diisopropylaminooxalyl-N-(2-(R)-hydroxy-1-(S)-methyl- 2-phenylethyl)-N-methylbenzamide benzene solvate","","- C31 H38 N2 O4 -","- C31 H38 N2 O4 -","- C62 H76 N4 O8 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.089","0.0716","","","0.161","0.1714","","","","","","1.066","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111534","6.3813","0.0006","15.2049","0.0015","10.8317","0.0011","90","","96.753","0.002","90","","1043.68","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O4 -","- C23 H28 N2 O4 -","- C46 H56 N4 O8 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.04","0.0366","","","0.0856","0.0873","","","","","","1.028","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4111535","10.1332","0.0018","10.5785","0.0019","21.19","0.004","90","","90","","90","","2271.4","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O3 -","- C27 H30 N2 O3 -","- C108 H120 N8 O12 -","4","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0522","0.0414","","","0.0876","0.0924","","","","","","1.03","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4111536","6.5053","0.0008","15.0545","0.0018","10.7789","0.0013","90","","97.924","0.002","90","","1045.5","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H27 N2 O3 -","- C46 H54 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.1092","0.1065","","","0.2203","0.2217","","","","","","1.161","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4111537","6.8733","0.0006","20.861","0.002","15.768","0.001","90","","100.306","0.003","90","","2224.4","0.3","173.2","","173.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O4 -","- C23 H30 N2 O4 -","- C92 H120 N8 O16 -","4","2","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.7107","MoKα","","0.1039","0.041","","0.1222","","0.1222","","","0.82","","","0.82","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111538","7.4477","0.0003","9.811","0.0004","16.6491","0.0007","90","","101.995","0.001","90","","1189.98","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 N2 O5 -","- C25 H30 N2 O5 -","- C50 H60 N4 O10 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0578","0.0497","","","0.1204","0.1255","","","","","","1.055","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4111539","12.0301","0.0019","9.5538","0.0015","31.063","0.005","90","","97.558","0.003","90","","3539.2","1","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H52 B N3 -","- C39 H52 B N3 -","- C156 H208 B4 N12 -","4","1","","Xavier Cattoën; Karinne Miqueu; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Evidence for Radical Fragmentations from Persistent Singlet Carbenes","Journal of the American Chemical Society","2005","127","","3292","3293","10.1021/ja050028g","","","0.71073","MoKα","","0.0629","0.048","","","0.1056","0.1122","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111540","11.795","0.003","12.267","0.003","16.109","0.004","90","","105.034","0.005","90","","2251","1","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H42 N4 -","- C20 H42 N4 -","- C80 H168 N16 -","4","1","","Xavier Cattoën; Karinne Miqueu; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Evidence for Radical Fragmentations from Persistent Singlet Carbenes","Journal of the American Chemical Society","2005","127","","3292","3293","10.1021/ja050028g","","","0.71073","MoKα","","0.0983","0.0521","","","0.1164","0.1353","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111541","32.132","0.003","21.368","0.002","23.512","0.002","90","","105.523","0.002","90","","15554","2","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H82 O4 Si2 Sm2 -","- C50 H82 O4 Si2 Sm2 -","- C600 H984 O48 Si24 Sm24 -","12","1.5","","William J. Evans; Jeremy M. Perotti; Joseph W. Ziller","Synthetic Utility of [(C5Me5)2Ln][(μ-Ph)2BPh2] in Accessing [(C5Me5)2LnR]x Unsolvated Alkyl Lanthanide Metallocenes, Complexes with High C-H Activation Reactivity","Journal of the American Chemical Society","2005","127","","3894","3909","10.1021/ja045064e","","","0.71073","MoKα","","0.0574","0.0301","","","0.0646","0.0776","","","","","","1.07","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111542","25.985","0.003","25.985","0.003","13.1692","0.0019","90","","90","","90","","8892.1","1.9","240","2","273","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C40 H52 Cl2 Mn2 N4 Ni2 O8 -","- C40 H52 Cl2 Mn2 N4 Ni2 O8 -","- C320 H416 Cl16 Mn16 N32 Ni16 O64 -","8","0.5","","Hiroki Oshio; Masayuki Nihei; Satoshi Koizumi; Takuya Shiga; Hiroyuki Nojiri; Motohiro Nakano; Naoki Shirakawa; Mitsuhiro Akatsu","A Heterometal Single-Molecule Magnet of [MnIII2NiII2Cl2(salpa)2]","Journal of the American Chemical Society","2005","127","","4568","4569","10.1021/ja042217p","","","0.71073","MoKα","","0.1108","0.0548","","","0.1428","0.1578","","","","","","0.987","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111543","45.826","0.007","19.147","0.003","22.955","0.003","90","","90","","90","","20141","5","294","2","294","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C75 H139 Cl2 Cu3 O8 P6 -","- C75 H139 Cl2 Cu3 O8 P6 -","- C600 H1112 Cl16 Cu24 O64 P48 -","8","0.5","","Zhong Mao; Jie-Sheng Huang; Chi-Ming Che; Nianyong Zhu; Sarana Ka-Yan Leung; Zhong-Yuan Zhou","Unexpected Reactivities of Cu2(diphosphine)2 Complexes in Alcohol: Isolation, X-ray Crystal Structure, and Photoluminescent Properties of a Remarkably Stable [Cu3(diphosphine)3(μ3-H)]2+ Hydride Complex","Journal of the American Chemical Society","2005","127","","4562","4563","10.1021/ja042335c","","","0.71073","MoKα","","0.1368","0.0671","","","0.1729","0.2012","","","","","","0.898","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111544","25.802","0.005","15.758","0.003","22.786","0.005","90","","90","","90","","9265","3","301","2","301","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C75 H139 B2 Cu3 F8 P6 -","- C75 H139 B2 Cu3 F8 P6 -","- C300 H556 B8 Cu12 F32 P24 -","4","1","","Zhong Mao; Jie-Sheng Huang; Chi-Ming Che; Nianyong Zhu; Sarana Ka-Yan Leung; Zhong-Yuan Zhou","Unexpected Reactivities of Cu2(diphosphine)2 Complexes in Alcohol: Isolation, X-ray Crystal Structure, and Photoluminescent Properties of a Remarkably Stable [Cu3(diphosphine)3(μ3-H)]2+ Hydride Complex","Journal of the American Chemical Society","2005","127","","4562","4563","10.1021/ja042335c","","","0.71073","MoKα","","0.0951","0.0658","","","0.1767","0.1943","","","","","","0.986","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111545","45.837","0.009","19.17","0.004","22.935","0.005","90","","90","","90","","20153","7","301","2","301","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C75 H139 Cu3 F12 P8 -","- C75 H139 Cu3 F12 P8 -","- C600 H1112 Cu24 F96 P64 -","8","0.5","","Zhong Mao; Jie-Sheng Huang; Chi-Ming Che; Nianyong Zhu; Sarana Ka-Yan Leung; Zhong-Yuan Zhou","Unexpected Reactivities of Cu2(diphosphine)2 Complexes in Alcohol: Isolation, X-ray Crystal Structure, and Photoluminescent Properties of a Remarkably Stable [Cu3(diphosphine)3(μ3-H)]2+ Hydride Complex","Journal of the American Chemical Society","2005","127","","4562","4563","10.1021/ja042335c","","","0.71073","MoKα","","0.0745","0.0535","","","0.141","0.1597","","","","","","0.993","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111546","14.893","0.003","25.509","0.005","25.021","0.005","90","","94.5","0.03","90","","9476","3","301","2","301","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C79 H143 Cl4 Cu3 F6 O6 P6 S2 -","- C79 H143 Cl4 Cu3 F6 O6 P6 S2 -","- C316 H572 Cl16 Cu12 F24 O24 P24 S8 -","4","1","","Zhong Mao; Jie-Sheng Huang; Chi-Ming Che; Nianyong Zhu; Sarana Ka-Yan Leung; Zhong-Yuan Zhou","Unexpected Reactivities of Cu2(diphosphine)2 Complexes in Alcohol: Isolation, X-ray Crystal Structure, and Photoluminescent Properties of a Remarkably Stable [Cu3(diphosphine)3(μ3-H)]2+ Hydride Complex","Journal of the American Chemical Society","2005","127","","4562","4563","10.1021/ja042335c","","","0.71073","MoKα","","0.1005","0.0527","","","0.1419","0.1674","","","","","","0.93","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111547","24.707","0.005","13.807","0.003","35.5","0.007","90","","95.55","0.03","90","","12053","4","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H96 Cu2 F6 O3.5 P5 -","- C52 H93.5 Cu2 F6 O3.5 P5 -","- C416 H748 Cu16 F48 O28 P40 -","8","2","","Zhong Mao; Jie-Sheng Huang; Chi-Ming Che; Nianyong Zhu; Sarana Ka-Yan Leung; Zhong-Yuan Zhou","Unexpected Reactivities of Cu2(diphosphine)2 Complexes in Alcohol: Isolation, X-ray Crystal Structure, and Photoluminescent Properties of a Remarkably Stable [Cu3(diphosphine)3(μ3-H)]2+ Hydride Complex","Journal of the American Chemical Society","2005","127","","4562","4563","10.1021/ja042335c","","","0.71073","MoKα","","0.1134","0.0573","","","0.1492","0.1738","","","","","","0.949","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111548","24.1853","0.0007","10.3325","0.0003","14.445","0.0002","90","","110.375","0.002","90","","3383.88","0.15","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H30 F12 N4 O P2 -","- C35 H30 F12 N4 O P2 -","- C140 H120 F48 N16 O4 P8 -","4","0.5","","Benjamin J. Coe; James A. Harris; Lathe A. Jones; Bruce S. Brunschwig; Kai Song; Koen Clays; Javier Garín; Jesús Orduna; Simon J. Coles; Michael B. Hursthouse","Syntheses and Properties of Two-Dimensional Charged Nonlinear Optical Chromophores Incorporating Redox-Switchable cis-Tetraammineruthenium(II) Centers","Journal of the American Chemical Society","2005","127","","4845","4859","10.1021/ja0424124","","","0.71073","MoKα","","0.0528","0.0405","","","0.1044","0.1124","","","","","","1.035","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111549","19.534","0.0005","8.5747","0.0002","17.2984","0.0005","90","","109.896","0.002","90","","2724.51","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H45 B3 Ru2 -","- C28 H45 B3 Ru2 -","- C112 H180 B12 Ru8 -","4","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","","0.71073","MoKα","","0.0409","0.0308","","","0.0736","0.0792","","","","","","1.021","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111550","8.5992","0.0004","17.5873","0.0007","18.796","0.0008","90","","90","","90","","2842.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H47 B3 Ru2 -","- C28 H42 B3 Ru2 -","- C112 H168 B12 Ru8 -","4","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","x-ray","0.71073","MoKα","","0.0503","0.042","","","0.1057","0.1115","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111551","11.6019","0.0001","26.6818","0.0003","11.7353","0.0001","90","","114.628","0.001","90","","3302.31","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 B3 Ru2 -","- C36 H51 B3 Ru2 -","- C144 H204 B12 Ru8 -","4","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","","0.71073","MoKα","","0.0451","0.0283","","","0.0567","0.0601","","","","","","1.044","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111552","23.5289","0.0014","8.3396","0.0004","13.4889","0.0007","90","","90","","90","","2646.8","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H42 B2 Ru2 -","- C28 H41 B2 Ru2 -","- C112 H164 B8 Ru8 -","4","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","x-ray","0.71073","MoKα","","0.0604","0.0497","","","0.1123","0.1172","","","","","","1.037","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111553","17.2749","0.0002","11.4652","0.0001","17.4982","0.0002","90","","106.88","0.001","90","","3316.38","0.06","100","2","100","2","","","","","","","synthesized","4","P 1 c 1","P -2yc","7","","","","- C36 H50 B2 Ru2 -","- C36 H50 B2 Ru2 -","- C144 H200 B8 Ru8 -","4","2","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","x-ray","0.71073","MoKα","","0.0344","0.0282","","","0.058","0.0595","","","","","","0.994","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111554","16.8511","0.0003","10.4446","0.0002","22.1732","0.0004","90","","110.362","0.001","90","","3658.69","0.12","100","2","100","2","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 B2 Ru2 -","- C39 H57 B2 Ru2 -","- C156 H228 B8 Ru8 -","4","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","x-ray","0.71073","MoKα","","0.0576","0.0339","","","0.0652","0.0707","","","","","","1.03","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111555","38.6467","0.0005","13.3927","0.0002","12.5144","0.0001","90","","90","","90","","6477.25","0.14","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H48 B2 Ru2 -","- C36 H48 B2 Ru2 -","- C288 H384 B16 Ru16 -","8","2","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","","0.71073","MoKα","","0.0281","0.0241","","","0.0528","0.0536","","","","","","1.048","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111556","9.002","0.0002","9.8968","0.0002","16.2319","0.0004","101.611","0.002","94.952","0.002","103.013","0.002","1366.95","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H40 B2 Ru2 -","- C28 H40 B2 Ru2 -","- C56 H80 B4 Ru4 -","2","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","","0.71073","MoKα","","0.0437","0.0335","","","0.0836","0.0922","","","","","","1.058","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111557","11.5001","0.0001","17.6615","0.0002","19.6416","0.0003","90","","91.619","0.001","90","","3987.79","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H57 B3 Ru2 -","- C44 H57 B3 Ru2 -","- C176 H228 B12 Ru8 -","4","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","x-ray","0.71073","MoKα","","0.0453","0.0324","","","0.0818","0.086","","","","","","1.052","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111558","12.2288","0.0011","13.9949","0.0013","15.4425","0.0014","96.77","0.002","94.38","0.002","113.116","0.002","2391.8","0.4","194","2","194","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H70 O4 P2 Pd -","- C52 H70 O4 P2 Pd -","- C104 H140 O8 P4 Pd2 -","2","1","","Timothy E. Barder; Shawn D. Walker; Joseph R. Martinelli; Stephen L. Buchwald","Catalysts for Suzuki-Miyaura Coupling Processes: Scope and Studies of the Effect of Ligand Structure","Journal of the American Chemical Society","2005","127","","4685","4696","10.1021/ja042491j","","","0.71073","MoKα","","0.0501","0.035","","","0.0764","0.0818","","","","","","1.035","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111559","9.9866","0.0016","12.598","0.002","23.797","0.004","90","","99.089","0.003","90","","2956.3","0.8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cl8 O4 P2 Pd -","- C54 H72 Cl8 O4 P2 Pd -","- C108 H144 Cl16 O8 P4 Pd2 -","2","0.5","","Timothy E. Barder; Shawn D. Walker; Joseph R. Martinelli; Stephen L. Buchwald","Catalysts for Suzuki-Miyaura Coupling Processes: Scope and Studies of the Effect of Ligand Structure","Journal of the American Chemical Society","2005","127","","4685","4696","10.1021/ja042491j","","","0.71073","MoKα","","0.0278","0.0246","","","0.0594","0.0607","","","","","","1.05","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111560","11.4552","0.0015","11.6697","0.0015","15.5298","0.0019","94.058","0.002","96.084","0.002","114.705","0.002","1860.1","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H49 O3 P Pd -","- C43 H49 O3 P Pd -","- C86 H98 O6 P2 Pd2 -","2","1","","Timothy E. Barder; Shawn D. Walker; Joseph R. Martinelli; Stephen L. Buchwald","Catalysts for Suzuki-Miyaura Coupling Processes: Scope and Studies of the Effect of Ligand Structure","Journal of the American Chemical Society","2005","127","","4685","4696","10.1021/ja042491j","","","0.71073","MoKα","","0.033","0.0286","","","0.0676","0.0695","","","","","","1.052","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111561","5.005","0.003","5.366","0.003","23.115","0.014","93.744","0.008","90.752","0.008","112.698","0.007","571","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","8-4-8 dicarbamate","1,4-bis-(N-octyl-carbamoyloxy)-butane","","- C22 H44 N2 O4 -","- C22 H44 N2 O4 -","- C22 H44 N2 O4 -","1","0.5","","Kibum Kim; Katherine E. Plass; Adam J. Matzger","Structure of and Competitive Adsorption in Alkyl Dicarbamate Two-Dimensional Crystals","Journal of the American Chemical Society","2005","127","","4879","4887","10.1021/ja043028+","","x-ray","0.71073","MoKα","","0.1903","0.0928","","","0.2403","0.2778","","","","","","1.048","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111562","5.048","0.004","10.359","0.009","23.59","0.02","84.402","0.014","88.068","0.014","83.793","0.014","1220.2","1.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","8-5-8 dicarbamate","1,5-Bis-(N-octyl-carbamoyloxy)-pentane","","- C23 H46 N2 O4 -","- C23 H46 N2 O4 -","- C46 H92 N4 O8 -","2","1","","Kibum Kim; Katherine E. Plass; Adam J. Matzger","Structure of and Competitive Adsorption in Alkyl Dicarbamate Two-Dimensional Crystals","Journal of the American Chemical Society","2005","127","","4879","4887","10.1021/ja043028+","","x-ray","0.71073","MoKα","","0.2346","0.1554","","","0.4002","0.4349","","","","","","1.307","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111563","20.4824","0.0013","11.6675","0.0007","19.2151","0.0012","90","","102.472","0.001","90","","4483.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 Fe N6 Na2 O4 -","- C46 H58 Fe N6 Na2 O4 -","- C184 H232 Fe4 N24 Na8 O16 -","4","1","","Julien Bachmann; Daniel G. Nocera","Multielectron Redox Chemistry of Iron Porphyrinogens","Journal of the American Chemical Society","2005","127","","4730","4743","10.1021/ja043132r","","","0.71073","MoKα","","0.0419","0.0345","","","0.084","0.0876","","","","","","1.064","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111564","23.443","0.002","25.146","0.003","13.2883","0.0013","90","","90","","90","","7833.4","1.4","100","2","100","2","","","","","","","","7","A b m 2","A 2 -2b","39","","","","- C54 H93 B36 Cl4 Co2 Fe N7 -","- C54 H93 B36 Cl4 Co2 Fe N7 -","- C216 H372 B144 Cl16 Co8 Fe4 N28 -","4","","","Julien Bachmann; Daniel G. Nocera","Multielectron Redox Chemistry of Iron Porphyrinogens","Journal of the American Chemical Society","2005","127","","4730","4743","10.1021/ja043132r","","","0.71073","MoKα","","0.0556","0.0533","","","0.1385","0.1411","","","","","","1.112","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111565","15.5367","0.0012","21.1012","0.0016","25.2473","0.0019","90","","90","","90","","8277.2","1.1","183","2","183","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H60 Fe N4 Na O6 -","- C40 H60 Fe N4 Na O6 -","- C320 H480 Fe8 N32 Na8 O48 -","8","1","","Julien Bachmann; Daniel G. Nocera","Multielectron Redox Chemistry of Iron Porphyrinogens","Journal of the American Chemical Society","2005","127","","4730","4743","10.1021/ja043132r","","","0.71073","MoKα","","0.0962","0.0962","","","0.1867","0.1867","","","","","","1.479","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111566","10.6459","0.0004","10.6459","0.0004","10.6459","0.0004","90","","90","","90","","1206.56","0.08","293","2","293","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C16.86 H32 Cr2.81 Fe4 K0.45 N16.86 O16 -","- C16.8 Cr2.8 Fe4 K0.48 N16.8 O15.84 -","- C16.8 Cr2.8 Fe4 K0.48 N16.8 O15.84 -","1","0.00520833","","Eugenio Coronado; Mari Carmen Giménez-López; Georgiy Levchenko; Francisco M. Romero; Valentín García-Baonza; Alla Milner; Moshe Paz-Pasternak","Pressure-Tuning of Magnetism and Linkage Isomerism in Iron(II) Hexacyanochromate","Journal of the American Chemical Society","2005","127","","4580","4581","10.1021/ja043166z","","","0.71073","MoKα","","0.0628","0.0499","","","0.1154","0.1211","","","","","","1.326","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111567","20.648","0.005","15.547","0.004","16.395","0.005","90","","90","","90","","5263","2","90","2","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","(Dipp*Tl)2","","","- C60 H74 Tl2 -","- C60 H74 Tl2 -","- C240 H296 Tl8 -","4","0.5","","Robert J. Wright; Andrew D. Phillips; Shirley Hino; Philip P. Power","Synthesis and Reactivity of Dimeric Ar'TlTlAr' and Trimeric (Ar''Tl)3 (Ar', Ar'' = Bulky Terphenyl Group) Thallium(I) Derivatives: Tl(I)-Tl(I) Bonding in Species Ligated by Monodentate Ligands","Journal of the American Chemical Society","2005","127","","4794","4799","10.1021/ja0432259","","","","","","0.0599","0.0492","","","0.1105","0.1178","","","","","","1.051","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111568","13.0842","0.0007","23.2719","0.0013","16.1097","0.0009","90","","94.782","0.003","90","","4888.2","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dipp*TlB(C6F5)3","","","- C55 H45 B F15 Tl -","- C55 H45 B F15 Tl -","- C220 H180 B4 F60 Tl4 -","4","1","","Robert J. Wright; Andrew D. Phillips; Shirley Hino; Philip P. Power","Synthesis and Reactivity of Dimeric Ar'TlTlAr' and Trimeric (Ar''Tl)3 (Ar', Ar'' = Bulky Terphenyl Group) Thallium(I) Derivatives: Tl(I)-Tl(I) Bonding in Species Ligated by Monodentate Ligands","Journal of the American Chemical Society","2005","127","","4794","4799","10.1021/ja0432259","","","0.71073","MoKα","","0.0307","0.0222","","","0.0519","0.0548","","","","","","1.005","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111569","21.2335","0.0014","14.0989","0.001","20.1848","0.0013","90","","117.601","0.003","90","","5355","0.6","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(DmpTl)3","","","- C66 H63 Tl3 -","- C66 H63 Tl3 -","- C264 H252 Tl12 -","4","1","","Robert J. Wright; Andrew D. Phillips; Shirley Hino; Philip P. Power","Synthesis and Reactivity of Dimeric Ar'TlTlAr' and Trimeric (Ar''Tl)3 (Ar', Ar'' = Bulky Terphenyl Group) Thallium(I) Derivatives: Tl(I)-Tl(I) Bonding in Species Ligated by Monodentate Ligands","Journal of the American Chemical Society","2005","127","","4794","4799","10.1021/ja0432259","","","0.71073","MoKα","","0.0277","0.0222","","","0.0486","0.0502","","","","","","1.071","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111570","29.26","0.005","20.671","0.005","40.344","0.008","90","","90","","90","","24401","9","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C82 H184 O48 Ti16 -","- C82 H184 O48 Ti16 -","- C656 H1472 O384 Ti128 -","8","1","","Giulia Fornasieri; Laurence Rozes; Stéphanie Le Calvé; Bruno Alonso; Dominique Massiot; Marie Noëlle Rager; Michel Evain; Kamal Boubekeur; Clément Sanchez","Reactivity of Titanium Oxo Ethoxo Cluster [Ti16O16(OEt)32]. Versatile Precursor of Nanobuilding Block-Based Hybrid Materials","Journal of the American Chemical Society","2005","127","","4869","4878","10.1021/ja043330i","","","0.71073","MoKα","","0.1223","0.0656","","","0.1042","0.1114","","","","","","0.978","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111571","29.765","0.01","21.014","0.016","40.2","0.02","90","","90","","90","","25144","2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C86 H192 O48 Ti16 -","- C85.999 H74 O48 Ti16 -","- C687.992 H592 O384 Ti128 -","8","1","","Giulia Fornasieri; Laurence Rozes; Stéphanie Le Calvé; Bruno Alonso; Dominique Massiot; Marie Noëlle Rager; Michel Evain; Kamal Boubekeur; Clément Sanchez","Reactivity of Titanium Oxo Ethoxo Cluster [Ti16O16(OEt)32]. Versatile Precursor of Nanobuilding Block-Based Hybrid Materials","Journal of the American Chemical Society","2005","127","","4869","4878","10.1021/ja043330i","","","0.71069","MoKα","","0.1268","0.0684","","","0.1584","0.1749","","","","1.9","1.9","1.61","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111572","14.6284","0.0011","14.136","0.0011","15.2538","0.0012","90","","90","","90","","3154.3","0.4","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Co(depa)Cl2","","","- C14 H17 Cl2 Co N3 -","- C14 H17 Cl2 Co N3 -","- C112 H136 Cl16 Co8 N24 -","8","1","","John F. Berry; F. Albert Cotton; Chun Y. Liu; Tongbu Lu; Carlos A. Murillo; Boris S. Tsukerblat; Dino Villagrán; Xiaoping Wang","Modeling Spin Interactions in a Cyclic Trimer and a Cuboidal Co4O4 Core with Co(II) in Tetrahedral and Octahedral Environments","Journal of the American Chemical Society","2005","127","","4895","4902","10.1021/ja044185b","","","0.71073","MoKα","","0.0328","0.0264","","","0.0694","0.075","","","","","","1.034","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111573","10.3578","0.0006","10.6941","0.0006","20.4826","0.0012","85.299","0.001","85.028","0.001","84.421","0.001","2243.4","0.2","213","2","213","2","","","","","","","","5","P -1","-P 1","2","Co3(depa)3Cl3","","","- C42 H48 Cl3 Co3 N9 -","- C42 H48 Cl3 Co3 N9 -","- C84 H96 Cl6 Co6 N18 -","2","1","","John F. Berry; F. Albert Cotton; Chun Y. Liu; Tongbu Lu; Carlos A. Murillo; Boris S. Tsukerblat; Dino Villagrán; Xiaoping Wang","Modeling Spin Interactions in a Cyclic Trimer and a Cuboidal Co4O4 Core with Co(II) in Tetrahedral and Octahedral Environments","Journal of the American Chemical Society","2005","127","","4895","4902","10.1021/ja044185b","","","0.71073","MoKα","","0.0432","0.0345","","","0.092","0.0979","","","","","","1.037","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111574","13.3078","0.0007","31.0865","0.0017","15.9772","0.0008","90","","93.301","0.001","90","","6598.7","0.6","213","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H104 Co4 O16 -","- C52 H104 Co4 O16 -","- C208 H416 Co16 O64 -","4","1","","John F. Berry; F. Albert Cotton; Chun Y. Liu; Tongbu Lu; Carlos A. Murillo; Boris S. Tsukerblat; Dino Villagrán; Xiaoping Wang","Modeling Spin Interactions in a Cyclic Trimer and a Cuboidal Co4O4 Core with Co(II) in Tetrahedral and Octahedral Environments","Journal of the American Chemical Society","2005","127","","4895","4902","10.1021/ja044185b","","","0.71073","MoKα","","0.0674","0.042","","","0.089","0.1015","","","","","","1.031","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111575","70.377","0.014","17.181","0.003","42.159","0.008","90","","99.9","0.03","90","","50217","17","15","2","15","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C135 H174 N52.88 O53.75 Pd6 -","- C135 H174 N52.95 O53.75 Pd6 -","- C1080 H1392 N423.6 O430 Pd48 -","8","1","","Shohei Tashiro; Masahide Tominaga; Masaki Kawano; Bruno Therrien; Tomoji Ozeki; Makoto Fujita","Sequence-Selective Recognition of Peptides within the Single Binding Pocket of a Self-Assembled Coordination Cage","Journal of the American Chemical Society","2005","127","","4546","4547","10.1021/ja044782y","","","0.689","synchrotron","","0.2242","0.1518","","","0.4191","0.4521","","","","","","1.378","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111576","15.5544","0.0004","5.5221","0.0001","16.3325","0.0005","90","","108.268","0.001","90","","1332.14","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0888","0.0484","","","0.1127","0.1406","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111577","15.5766","0.0003","5.5382","0.0001","16.3781","0.0005","90","","108.061","0.001","90","","1343.26","0.05","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0832","0.0484","","","0.115","0.1402","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111578","15.5907","0.0003","5.553","0.0001","16.4284","0.0004","90","","107.792","0.001","90","","1354.27","0.05","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0855","0.0483","","","0.115","0.1424","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111579","15.6361","0.0003","5.5774","0.0001","16.555","0.0005","90","","107.267","0.001","90","","1378.67","0.06","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.088","0.0513","","","0.1089","0.1442","","","","","","1.151","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111580","12.9391","0.0003","3.8207","0.0001","25.7129","0.0006","90","","91.617","0.001","90","","1270.65","0.05","100","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl N2 O -","- C16 H11 Cl N2 O -","- C64 H44 Cl4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0634","0.0387","","","0.0872","0.105","","","","","","1.087","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111581","12.9526","0.0003","3.8409","0.0001","25.7179","0.0007","90","","91.557","0.001","90","","1278.98","0.06","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl N2 O -","- C16 H11 Cl N2 O -","- C64 H44 Cl4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0808","0.0417","","","0.0866","0.1109","","","","","","1.092","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111582","12.9684","0.0003","3.8649","0.0001","25.7294","0.0007","90","","91.476","0.001","90","","1289.17","0.06","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl N2 O -","- C16 H11 Cl N2 O -","- C64 H44 Cl4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0897","0.0432","","","0.086","0.1128","","","","","","1.126","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111583","12.9932","0.0005","3.9181","0.0001","25.7473","0.0009","90","","91.307","0.002","90","","1310.42","0.08","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl N2 O -","- C16 H11 Cl N2 O -","- C64 H44 Cl4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0681","0.0439","","","0.1009","0.1208","","","","","","1.081","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111584","7.6125","0.0001","7.9679","0.0001","24.2654","0.0005","90","","98.66","0.001","90","","1455.05","0.04","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0748","0.0465","","","0.1139","0.1362","","","","","","1.058","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111585","7.6179","0.0001","7.9882","0.0001","24.3423","0.0006","90","","98.648","0.001","90","","1464.47","0.04","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0761","0.0448","","","0.104","0.1307","","","","","","1.068","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111586","7.6238","0.0001","8.0124","0.0001","24.4421","0.0005","90","","98.641","0.001","90","","1476.1","0.04","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0866","0.0447","","","0.0992","0.1331","","","","","","1.101","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111587","7.6328","0.0001","8.0545","0.0001","24.6916","0.0006","90","","98.64","0.001","90","","1500.77","0.05","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.1227","0.0505","","","0.1095","0.1591","","","","","","1.105","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111588","13.398","0.0005","17.3954","0.0005","20.4727","0.0006","90","","93.297","0.002","90","","4763.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H83 O3 Si3 Ta -","- C40 H71 O3 Si3 Ta -","- C160 H284 O12 Si12 Ta4 -","4","1","","Kurt F. Hirsekorn; Adam S. Veige; Michael P. Marshak; Yelena Koldobskaya; Peter T. Wolczanski; Thomas R. Cundari; Emil B. Lobkovsky","Thermodynamics, Kinetics, and Mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) Rearrangements (silox =tBu3SiO; M = Nb, Ta)","Journal of the American Chemical Society","2005","127","","4809","4830","10.1021/ja046180k","","","0.71073","MoKα","","0.0524","0.0336","","","0.0741","0.0807","","","","","","1.072","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111589","13.115","0.007","20.965","0.008","17.257","0.006","90","","91.57","0.02","90","","4743","4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H89 O3 Si3 Ta -","- C40 H89 O3 Si3 Ta -","- C160 H356 O12 Si12 Ta4 -","4","1","","Kurt F. Hirsekorn; Adam S. Veige; Michael P. Marshak; Yelena Koldobskaya; Peter T. Wolczanski; Thomas R. Cundari; Emil B. Lobkovsky","Thermodynamics, Kinetics, and Mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) Rearrangements (silox =tBu3SiO; M = Nb, Ta)","Journal of the American Chemical Society","2005","127","","4809","4830","10.1021/ja046180k","","","0.71073","MoKα","","0.0608","0.0344","","","0.0755","0.0862","","","","","","1.008","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111590","24.8008","0.0008","17.4613","0.0005","45.1532","0.0018","90","","90","","90","","19553.8","1.1","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C41 H91 Nb O3 Si3 -","- C42 H86.5 Nb O3 Si3 -","- C672 H1384 Nb16 O48 Si48 -","16","4","","Kurt F. Hirsekorn; Adam S. Veige; Michael P. Marshak; Yelena Koldobskaya; Peter T. Wolczanski; Thomas R. Cundari; Emil B. Lobkovsky","Thermodynamics, Kinetics, and Mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) Rearrangements (silox =tBu3SiO; M = Nb, Ta)","Journal of the American Chemical Society","2005","127","","4809","4830","10.1021/ja046180k","","","0.71073","MoKα","","0.1053","0.088","","","0.2054","0.2182","","","","","","1.058","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111591","20.1923","0.0004","20.1923","0.0004","6.9288","0.0002","90","","90","","120","","2446.58","0.1","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C12 H26 O4 Si -","- C12 H26 O4 Si -","- C72 H156 O24 Si6 -","6","1","","Jason C. Valentine; Frank E. McDonald; Wade A. Neiwert; Kenneth I. Hardcastle","Biomimetic Synthesis of trans,syn,trans-Fused Polyoxepanes: Remarkable Substituent Effects on the endo-Regioselective Oxacyclization of Polyepoxides","Journal of the American Chemical Society","2005","127","","4586","4587","10.1021/ja050013i","","","1.54178","CuKα","","0.0747","0.0557","","","0.1387","0.1496","","","","","","1.015","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111592","10.0172","0.0012","11.2383","0.0014","15.6235","0.0019","90","","90","","90","","1758.8","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O7 -","- C17 H26 O7 -","- C68 H104 O28 -","4","1","","Jason C. Valentine; Frank E. McDonald; Wade A. Neiwert; Kenneth I. Hardcastle","Biomimetic Synthesis of trans,syn,trans-Fused Polyoxepanes: Remarkable Substituent Effects on the endo-Regioselective Oxacyclization of Polyepoxides","Journal of the American Chemical Society","2005","127","","4586","4587","10.1021/ja050013i","","","1.54178","CuKα","","0.1061","0.0888","","","0.2214","0.2303","","","","","","1.065","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111593","10.2457","0.0008","12.9259","0.0011","12.9628","0.001","104.083","0.002","107.557","0.002","95.816","0.002","1559","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H35 Br2 N O6 -","- C35 H35 Br2 N O6 -","- C70 H70 Br4 N2 O12 -","2","1","","Yao Lei; Aaron D. Wrobleski; Jennifer E. Golden; Douglas R. Powell; Jeffrey Aubé","Facile C-N Cleavage in a Series of Bridged Lactams","Journal of the American Chemical Society","2005","127","","4552","4553","10.1021/ja050214m","","","0.71073","MoKα","","0.0532","0.0336","","","0.0752","0.0819","","","","","","0.907","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111594","6.878","0.002","9.85","0.003","15.468","0.005","79.468","0.006","85.295","0.007","77.715","0.006","1005.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 Br N O3 -","- C21 H28 Br N O3 -","- C42 H56 Br2 N2 O6 -","2","1","","Yao Lei; Aaron D. Wrobleski; Jennifer E. Golden; Douglas R. Powell; Jeffrey Aubé","Facile C-N Cleavage in a Series of Bridged Lactams","Journal of the American Chemical Society","2005","127","","4552","4553","10.1021/ja050214m","","","0.71073","MoKα","","0.0802","0.0686","","","0.1709","0.1789","","","","","","1.023","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111595","18.01","0.004","10.186","0.002","18.01","0.004","90","","113.591","0.004","90","","3027.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Br N O -","- C18 H20 Br N O -","- C144 H160 Br8 N8 O8 -","8","2","","Yao Lei; Aaron D. Wrobleski; Jennifer E. Golden; Douglas R. Powell; Jeffrey Aubé","Facile C-N Cleavage in a Series of Bridged Lactams","Journal of the American Chemical Society","2005","127","","4552","4553","10.1021/ja050214m","","","0.71073","MoKα","","0.0455","0.0357","","","0.0761","0.0798","","","","","","1.005","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111596","11.224","0.005","14.411","0.005","12.659","0.005","90","0.005","103.275","0.005","90","0.005","1992.9","1.4","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H7 Al Cl2 F10 N2 -","- C17 H7 Al Cl2 F10 N2 -","- C68 H28 Al4 Cl8 F40 N8 -","4","1","","Dragoslav Vidovic; Jennifer A. Moore; Jamie N. Jones; Alan H. Cowley","Synthesis and Characterization of a Coordinated Oxoborane: Lewis Acid Stabilization of a Boron-Oxygen Double Bond","Journal of the American Chemical Society","2005","127","","4566","4567","10.1021/ja0507564","","","0.71069","MoKα","","0.2094","0.0778","","","0.159","0.2099","","","","","","1.054","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111597","25.588","0.005","15.086","0.003","7.1553","0.0014","90","","90","","90","","2762.1","0.9","153","2","153","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C23 H12 Al B Cl4 F10 N2 -","- C23 H12 Al B Cl4 F10 N2 -","- C92 H48 Al4 B4 Cl16 F40 N8 -","4","0.5","","Dragoslav Vidovic; Jennifer A. Moore; Jamie N. Jones; Alan H. Cowley","Synthesis and Characterization of a Coordinated Oxoborane: Lewis Acid Stabilization of a Boron-Oxygen Double Bond","Journal of the American Chemical Society","2005","127","","4566","4567","10.1021/ja0507564","","","0.71073","MoKα","","0.1843","0.079","","","0.1879","0.2443","","","","","","1.045","","","","has coordinates","189844","2020-10-21","18:00:00",""
"4111598","11.11","0.005","13.318","0.005","15.211","0.005","90","0.005","104.744","0.005","90","0.005","2176.6","1.5","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C17 H7 Al B Cl3 F10 N2 O -","- C17 H7 Al B Cl3 F10 N2 O -","- C68 H28 Al4 B4 Cl12 F40 N8 O4 -","4","1","","Dragoslav Vidovic; Jennifer A. Moore; Jamie N. Jones; Alan H. Cowley","Synthesis and Characterization of a Coordinated Oxoborane: Lewis Acid Stabilization of a Boron-Oxygen Double Bond","Journal of the American Chemical Society","2005","127","","4566","4567","10.1021/ja0507564","","","0.71069","MoKα","","0.0392","0.0302","","","0.0749","0.0792","","","","","","1.065","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111599","9.6258","0.0016","7.7123","0.0013","16.2","0.003","90","","103.75","0.003","90","","1168.2","0.4","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl N2 -","- C13 H13 Cl N2 -","- C52 H52 Cl4 N8 -","4","1","","Ken S. Feldman; Malliga R. Iyer","Allenyl Azide Cycloaddition Chemistry. Synthesis of Pyrrolidine-Containing Bicycles and Tricycles via the Possible Intermediacy of Azatrimethylenemethane Species","Journal of the American Chemical Society","2005","127","","4590","4591","10.1021/ja050757w","","","0.71073","MoKα","","0.0563","0.0503","","","0.1245","0.1277","","","","","","1.079","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111600","12.3997","0.0009","3.9144","0.0003","17.409","0.002","90","","107.882","0.006","90","","804.17","0.13","298","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Br2 N2 O4 -","- C18 H10 Br2 N2 O4 -","- C36 H20 Br4 N4 O8 -","2","0.5","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","Room-Temperature Ferroelectricity and Gigantic Dielectric Susceptibility on a Supramolecular Architecture of Phenazine and Deuterated Chloranilic Acid","Journal of the American Chemical Society","2005","127","","5010","5011","10.1021/ja042212s","","","0.6868","synchrotron","","","0.041","","","","0.043","","","","","","5.114","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111601","12.439","0.002","3.8487","0.0007","16.956","0.003","90","","107.951","0.006","90","","772.2","0.2","305","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Cl2 N2 O4 -","- C18 H10 Cl2 N2 O4 -","- C36 H20 Cl4 N4 O8 -","2","0.5","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","Room-Temperature Ferroelectricity and Gigantic Dielectric Susceptibility on a Supramolecular Architecture of Phenazine and Deuterated Chloranilic Acid","Journal of the American Chemical Society","2005","127","","5010","5011","10.1021/ja042212s","","","0.6868","synchrotron","","","0.055","","","","0.059","","","","","","5.346","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111602","12.364","0.001","3.922","0.0005","17.395","0.002","90","","107.828","0.004","90","","803.01","0.15","298","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Br2 N2 O4 -","- C18 H10 Br2 N2 O4 -","- C36 H20 Br4 N4 O8 -","2","0.5","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","Room-Temperature Ferroelectricity and Gigantic Dielectric Susceptibility on a Supramolecular Architecture of Phenazine and Deuterated Chloranilic Acid","Journal of the American Chemical Society","2005","127","","5010","5011","10.1021/ja042212s","","","0.6868","synchrotron","","","0.046","","","","0.051","","","","","","4.76","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111603","12.399","0.002","3.8533","0.0007","16.957","0.002","90","","107.89","0.006","90","","771","0.2","298","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Cl2 N2 O3 -","- C18 H10 Cl2 N2 O4 -","- C36 H20 Cl4 N4 O8 -","2","0.5","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","Room-Temperature Ferroelectricity and Gigantic Dielectric Susceptibility on a Supramolecular Architecture of Phenazine and Deuterated Chloranilic Acid","Journal of the American Chemical Society","2005","127","","5010","5011","10.1021/ja042212s","","","0.6868","synchrotron","","","0.048","","","","0.05","","","","","","4.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111604","25.767","0.01","28.493","0.017","19.631","0.007","90","","90","","90","","14413","11","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","zirconium","Zirconium amide O2 adduct","","- C20 H60 N10 O2 Zr3 -","- C20 H60 N10 O2 Zr3 -","- C320 H960 N160 O32 Zr48 -","16","1","","Ruitao Wang; Xin-Hao Zhang; Shu-Jian Chen; Xianghua Yu; Chang-Sheng Wang; David B. Beach; Yun-Dong Wu; Zi-Ling Xue","Reactions of d0 Group 4 Amides with Dioxygen. Preparation of Unusual Oxo Aminoxy Complexes and Theoretical Studies of Their Formation","Journal of the American Chemical Society","2005","127","","5204","5211","10.1021/ja042307u","","","0.71073","MoKα","","0.0292","0.0275","","","0.0883","0.0907","","","","","","0.855","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111605","25.632","0.006","28.495","0.01","19.577","0.004","90","","90","","90","","14299","7","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","Hafnium","Hafnium amide O2 adduct","","- C20 H60 Hf3 N10 O2 -","- C20 H60 Hf3 N10 O2 -","- C320 H960 Hf48 N160 O32 -","16","1","","Ruitao Wang; Xin-Hao Zhang; Shu-Jian Chen; Xianghua Yu; Chang-Sheng Wang; David B. Beach; Yun-Dong Wu; Zi-Ling Xue","Reactions of d0 Group 4 Amides with Dioxygen. Preparation of Unusual Oxo Aminoxy Complexes and Theoretical Studies of Their Formation","Journal of the American Chemical Society","2005","127","","5204","5211","10.1021/ja042307u","","","0.71073","MoKα","","0.0318","0.0299","","","0.0837","0.0851","","","","","","1.08","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111606","10.457","0.0002","10.51","0.0002","12.418","0.0003","90","","114.221","0.0009","90","","1244.63","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 S2 Si2 -","- C28 H26 S2 Si2 -","- C56 H52 S4 Si4 -","2","0.5","","Marcia M. Payne; Sean R. Parkin; John E. Anthony; Chung-Chen Kuo; Thomas N. Jackson","Organic Field-Effect Transistors from Solution-Deposited Functionalized Acenes with Mobilities as High as 1 cm2/V.s","Journal of the American Chemical Society","2005","127","","4986","4987","10.1021/ja042353u","","","0.71073","MoKα","","0.0583","0.0373","","","0.0903","0.0978","","","","","","1.05","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111607","6.7318","0.0001","7.2511","0.0002","16.695","0.0004","98.1442","0.0011","94.5289","0.0011","103.918","0.001","777.59","0.03","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H38 S2 Si2 -","- C34 H38 S2 Si2 -","- C34 H38 S2 Si2 -","1","0.5","","Marcia M. Payne; Sean R. Parkin; John E. Anthony; Chung-Chen Kuo; Thomas N. Jackson","Organic Field-Effect Transistors from Solution-Deposited Functionalized Acenes with Mobilities as High as 1 cm2/V.s","Journal of the American Chemical Society","2005","127","","4986","4987","10.1021/ja042353u","","","0.71073","MoKα","","0.0502","0.0365","","","0.0913","0.0962","","","","","","1.102","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111608","29.644","0.004","7.4582","0.001","30.473","0.004","90","","90","","90","","6737.3","1.6","110","2","110","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C71 H72 Ag2 Au4 Cl2 N8 O4 -","- C71 H72 Ag2 Au4 Cl2 N8 O4 -","- C284 H288 Ag8 Au16 Cl8 N32 O16 -","4","1","","Ahmed A. Mohamed; Alfredo Burini; John P. Fackler","Mixed-Metal Triangular Trinuclear Complexes: Dimers of Gold-Silver Mixed-Metal Complexes from Gold(I) Carbeniates and Silver(I) 3,5-Diphenylpyrazolates","Journal of the American Chemical Society","2005","127","","5012","5013","10.1021/ja0429869","","","0.71073","MoKα","","0.0978","0.0597","","","0.116","0.1332","","","","","","1.019","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111609","9.688","0.003","15.542","0.004","23.689","0.006","82.56","0.005","87.887","0.006","78.06","0.005","3460.1","1.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H67 Ag4 Au2 N10 O2 -","- C80 H67 Ag4 Au2 N10 O2 -","- C160 H134 Ag8 Au4 N20 O4 -","2","1","","Ahmed A. Mohamed; Alfredo Burini; John P. Fackler","Mixed-Metal Triangular Trinuclear Complexes: Dimers of Gold-Silver Mixed-Metal Complexes from Gold(I) Carbeniates and Silver(I) 3,5-Diphenylpyrazolates","Journal of the American Chemical Society","2005","127","","5012","5013","10.1021/ja0429869","","","0.71073","MoKα","","0.2077","0.0732","","","0.1086","0.1381","","","","","","0.814","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111610","10.4726","0.0008","15.4811","0.0012","13.8229","0.0011","90","","92.511","0.002","90","","2238.9","0.3","115","2","115","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H38 Co O2 P -","- C23 H38 Co O2 P -","- C92 H152 Co4 O8 P4 -","4","1","","Cyril Godard; Simon B. Duckett; Stacey Polas; Robert Tooze; Adrian C. Whitwood","Detection of Intermediates in Cobalt-Catalyzed Hydroformylation Using para-Hydrogen-Induced Polarization","Journal of the American Chemical Society","2005","127","","4994","4995","10.1021/ja0434533","","","0.71073","MoKα","","0.0402","0.0321","","","0.0851","0.0905","","","","","","1.061","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111611","10.731","0.008","10.679","0.006","14.299","0.009","90","","102.89","0.02","90","","1597.3","1.8","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H45 N3 O6 -","- C34 H45 N3 O6 -","- C68 H90 N6 O12 -","2","1","","Takashi Ooi; Mifune Takeuchi; Daisuke Kato; Yukitaka Uematsu; Eiji Tayama; Daiki Sakai; Keiji Maruoka","Highly Enantioselective Phase-Transfer-Catalyzed Alkylation of Protected α-Amino Acid Amides toward Practical Asymmetric Synthesis of Vicinal Diamines, α-Amino Ketones, and α-Amino Alcohols","Journal of the American Chemical Society","2005","127","","5073","5083","10.1021/ja0459328","","","0.7107","MoKα","","","0.0534","","","","0.1222","","","","","","1.525","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111612","8.8149","0.0009","12.7183","0.0013","18.3693","0.0019","91.953","0.001","90.798","0.002","108.682","0.002","1949.1","0.3","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C35 H37 Cl4 F6 N2 O2 Pd Sb -","- C35 H37 Cl4 F6 N2 O2 Pd Sb -","- C70 H74 Cl8 F12 N4 O4 Pd2 Sb2 -","2","1","","B. Scott Williams; Mark D. Leatherman; Peter S. White; Maurice Brookhart","Reactions of Vinyl Acetate and Vinyl Trifluoroacetate with Cationic Diimine Pd(II) and Ni(II) Alkyl Complexes: Identification of Problems Connected with Copolymerizations of These Monomers with Ethylene","Journal of the American Chemical Society","2005","127","","5132","5146","10.1021/ja045969s","","","0.71073","MolybdenumKα","","0.073","0.057","","0.084","0.076","","","","","","","2.56","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111613","11.163","0.002","12.857","0.002","13.13","0.003","71.78","0.03","84.6","0.03","64.95","0.03","1620","0.7","123.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H70 Cl2 Cu2 N12 O10 -","- C64 H68 Cl2 Cu2 N12 O10 -","- C64 H68 Cl2 Cu2 N12 O10 -","1","0.5","","Kyosuke Itoh; Hideki Hayashi; Hideki Furutachi; Takahiro Matsumoto; Shigenori Nagatomo; Takehiko Tosha; Shoichi Terada; Shuhei Fujinami; Masatatsu Suzuki; Teizo Kitagawa","Synthesis and Reactivity of a (μ-1,1-Hydroperoxo)(μ-hydroxo)dicopper(II) Complex: Ligand Hydroxylation by a Bridging Hydroperoxo Ligand","Journal of the American Chemical Society","2005","127","","5212","5223","10.1021/ja047437h","","","0.7107","MoKα","","","0.0461","","","","0.0757","","","","","","1.469","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111614","23.989","0.006","16.678","0.004","18.853","0.005","90","","105.033","0.006","90","","7285","3","123.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H71 Cu2 F6 N15 O8 S2 -","- C70 H68 Cu2 F6 N15 O8 S2 -","- C280 H272 Cu8 F24 N60 O32 S8 -","4","0.5","","Kyosuke Itoh; Hideki Hayashi; Hideki Furutachi; Takahiro Matsumoto; Shigenori Nagatomo; Takehiko Tosha; Shoichi Terada; Shuhei Fujinami; Masatatsu Suzuki; Teizo Kitagawa","Synthesis and Reactivity of a (μ-1,1-Hydroperoxo)(μ-hydroxo)dicopper(II) Complex: Ligand Hydroxylation by a Bridging Hydroperoxo Ligand","Journal of the American Chemical Society","2005","127","","5212","5223","10.1021/ja047437h","","","0.7107","MoKα","","","0.0644","","","","0.0951","","","","","","1.697","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111615","14.023","0.005","15.81","0.006","17.194","0.007","104.038","0.007","101.808","0.007","105.329","0.008","3416","2","123.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C129 H144 B2 Cu2 N14 O11 -","- C129 H106 B2 Cu2 N14 O11 -","- C129 H106 B2 Cu2 N14 O11 -","1","0.5","","Kyosuke Itoh; Hideki Hayashi; Hideki Furutachi; Takahiro Matsumoto; Shigenori Nagatomo; Takehiko Tosha; Shoichi Terada; Shuhei Fujinami; Masatatsu Suzuki; Teizo Kitagawa","Synthesis and Reactivity of a (μ-1,1-Hydroperoxo)(μ-hydroxo)dicopper(II) Complex: Ligand Hydroxylation by a Bridging Hydroperoxo Ligand","Journal of the American Chemical Society","2005","127","","5212","5223","10.1021/ja047437h","","","0.7107","MoKα","","","0.0883","","","","0.1331","","","","","","1.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111616","18.4724","0.0012","18.4724","0.0012","21.479","0.003","90","","90","","120","","6347.3","1.1","173","2","173","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C99 H114 N8 O15 P2 -","- C78 H72 N8 O8 P2 -","- C234 H216 N24 O24 P6 -","3","0.5","","Thomas P. Clark; Clark R. Landis; Susan L. Freed; Jerzy Klosin; Khalil A. Abboud","Highly Active, Regioselective, and Enantioselective Hydroformylation with Rh Catalysts Ligated by Bis-3,4-diazaphospholanes","Journal of the American Chemical Society","2005","127","","5040","5042","10.1021/ja050148o","","","0.71073","MoKα","","0.1472","0.0754","","","0.18","0.1989","","","","","","0.871","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111617","18.2966","0.0013","15.3838","0.0011","19.0807","0.0014","90","","103.864","0.001","90","","5214.2","0.7","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H52 P4 Pt2 -","- C60 H52 P4 Pt2 -","- C240 H208 P16 Pt8 -","4","1","","Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Metal-Templated Diyne Cyclodimerization and Cyclotrimerization","Journal of the American Chemical Society","2005","127","","5038","5039","10.1021/ja050155c","","","0.71073","MoKα","","0.0712","0.0353","","","0.0643","0.0716","","","","","","0.904","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111618","13.837","0.012","14.073","0.016","14.231","0.013","115.24","0.08","98.64","0.06","90.88","0.12","2468","5","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C30.23 H26.47 Cl0.47 P2 Pt -","- C30.2333 H26.4667 Cl0.466667 P2 Pt -","- C90.7 H79.4 Cl1.4 P6 Pt3 -","3","3","","Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Metal-Templated Diyne Cyclodimerization and Cyclotrimerization","Journal of the American Chemical Society","2005","127","","5038","5039","10.1021/ja050155c","","","0.71073","MoKα","","0.1559","0.1235","","","0.299","0.3289","","","","","","1.218","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111619","18.374","0.0006","18.374","0.0006","55.729","0.003","90","","90","","120","","16293.7","1.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C29.33 H22.67 Cl4.67 P2 Pt -","- C29.36 H22.72 Cl4.72 P2 Pt -","- C528.48 H408.96 Cl84.96 P36 Pt18 -","18","0.5","","Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Metal-Templated Diyne Cyclodimerization and Cyclotrimerization","Journal of the American Chemical Society","2005","127","","5038","5039","10.1021/ja050155c","","","0.7107","MoKα","","0.0834","0.0493","","","0.1471","0.1753","","","","","","1.039","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111620","13.4455","0.0013","12.6751","0.0012","17.2623","0.0016","90","","94.205","0.002","90","","2934","0.5","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl4 P2 Pt -","- C29 H22 Cl4 P2 Pt -","- C116 H88 Cl16 P8 Pt4 -","4","1","","Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Metal-Templated Diyne Cyclodimerization and Cyclotrimerization","Journal of the American Chemical Society","2005","127","","5038","5039","10.1021/ja050155c","","","0.7107","MoKα","","0.0775","0.042","","","0.0855","0.0957","","","","","","0.943","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111621","14.1487","0.001","27.8078","0.0019","23.1818","0.0016","90","","90","","90","","9120.7","1.1","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C86.2 H64.4 Cl10.4 P6 Pt3 -","- C86.2 H64.4 Cl10.4 P6 Pt3 -","- C344.8 H257.6 Cl41.6 P24 Pt12 -","4","0.5","","Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Metal-Templated Diyne Cyclodimerization and Cyclotrimerization","Journal of the American Chemical Society","2005","127","","5038","5039","10.1021/ja050155c","","","0.71073","MoKα","","0.0953","0.0564","","","0.1233","0.1397","","","","","","0.981","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111622","14.8354","0.0012","20.9175","0.0016","34.772","0.003","90","","101.047","0.002","90","","10590.5","1.5","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C124.4 H116.2 Cl0.2 P6 Pt3 -","- C124.4 H116.2 Cl0.2 P6 Pt3 -","- C497.6 H464.8 Cl0.8 P24 Pt12 -","4","1","","Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Metal-Templated Diyne Cyclodimerization and Cyclotrimerization","Journal of the American Chemical Society","2005","127","","5038","5039","10.1021/ja050155c","","","0.71073","MoKα","","0.0647","0.0364","","","0.0806","0.091","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111623","12.9032","0.001","13.8547","0.0011","18.2539","0.0013","90.146","0.002","101.1","0.002","93.66","0.001","3195.3","0.4","243","2","243","2","","","","","","","","7","P -1","-P 1","2","RhP2O2Tol","","","- C59.5 H49.5 Cl1.5 F18 O4 P2 Rh -","- C59 H49 F18 O4 P2 Rh -","- C118 H98 F36 O8 P4 Rh2 -","2","1","","Xiang Wang; Benjamin S. Lane; Dalibor Sames","Direct C-Arylation of Free (NH)-Indoles and Pyrroles Catalyzed by Ar-Rh(III) Complexes Assembled In Situ","Journal of the American Chemical Society","2005","127","","4996","4997","10.1021/ja050279p","","","0.71073","MoKα","","0.1487","0.0708","","","0.1866","0.2114","","","","","","0.943","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111624","18.4664","0.0014","13.94","0.0011","21.7527","0.0017","90","","102.455","0.001","90","","5467.8","0.7","27","2","27","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetrakis-[bis-(m-anisyl)-fromamidinato]-chloro-diruthenium(II,III)","","- C60 H60 Cl N8 O8 Ru2 -","- C60 H60 Cl N8 O8 Ru2 -","- C240 H240 Cl4 N32 O32 Ru8 -","4","1","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0498","0.0458","","","0.1105","0.1149","","","","","","1.146","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111625","18.5103","0.0015","13.9409","0.0011","21.7987","0.0018","90","","102.39","0.002","90","","5494.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetrakis-[bis-(m-anisyl)-fromamidinato]-chloro-diruthenium(II,III)","","- C60 H60 Cl N8 O8 Ru2 -","- C60 H60 Cl N8 O8 Ru2 -","- C240 H240 Cl4 N32 O32 Ru8 -","4","1","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0489","0.0443","","","0.1076","0.1119","","","","","","1.124","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111626","18.612","0.001","13.982","0.001","21.91","0.002","90","","102.31","0.001","90","","5570.6","0.7","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ru2(DAniF(-o))4Cl","","","- C60 H60 Cl N8 O8 Ru2 -","- C60 H60 Cl N8 O8 Ru2 -","- C240 H240 Cl4 N32 O32 Ru8 -","4","1","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0429","0.0286","","","0.0551","0.0585","","","","","","1.025","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111627","18.7557","0.0012","13.9847","0.0009","21.9873","0.0014","90","","102.249","0.001","90","","5635.8","0.6","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetrakis-[bis-(m-anisyl)-fromamidinato]-chloro-diruthenium(II,III)","","- C60 H60 Cl N8 O8 Ru2 -","- C60 H60 Cl N8 O8 Ru2 -","- C240 H240 Cl4 N32 O32 Ru8 -","4","1","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0551","0.0442","","","0.106","0.1173","","","","","","1.081","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111628","13.0725","0.0006","13.0725","0.0006","16.5571","0.0014","90","","90","","90","","2829.4","0.3","27","2","27","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C60.5 H61 Cl2 N8 O8 Ru2 -","- C60.5 H60 Cl2 N8 O8 Ru2 -","- C121 H120 Cl4 N16 O16 Ru4 -","2","0.25","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.045","0.0419","","","0.1079","0.1108","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111629","13.0675","0.0004","13.0675","0.0004","16.5408","0.0011","90","","90","","90","","2824.5","0.2","60","2","60","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C60.5 H61 Cl2 N8 O8 Ru2 -","- C60.5 H60 Cl2 N8 O8 Ru2 -","- C121 H120 Cl4 N16 O16 Ru4 -","2","0.25","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0454","0.0428","","","0.1113","0.1146","","","","","","1.138","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111630","13.0913","0.0004","13.0913","0.0004","16.5568","0.0011","90","","90","","90","","2837.5","0.2","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C60.5 H61 Cl2 N8 O8 Ru2 -","- C60.5 H60 Cl2 N8 O8 Ru2 -","- C121 H120 Cl4 N16 O16 Ru4 -","2","0.25","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0497","0.043","","","0.1079","0.1121","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111631","13.1235","0.0004","13.1235","0.0004","16.5799","0.001","90","","90","","90","","2855.5","0.2","150","2","150","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C60.5 H61 Cl2 N8 O8 Ru2 -","- C60.5 H60 Cl2 N8 O8 Ru2 -","- C121 H120 Cl4 N16 O16 Ru4 -","2","0.25","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0491","0.0436","","","0.1108","0.1174","","","","","","1.07","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111632","13.1651","0.0004","13.1651","0.0004","16.6065","0.0011","90","","90","","90","","2878.2","0.2","220","2","220","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C30.25 H30.5 Cl N4 O4 Ru -","- C30.25 H30 Cl N4 O4 Ru -","- C121 H120 Cl4 N16 O16 Ru4 -","4","0.5","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0497","0.0422","","","0.1083","0.1171","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111633","13.246","0.0005","13.246","0.0005","16.6843","0.0013","90","","90","","90","","2927.4","0.3","299","2","299","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C60.5 H61 Cl2 N8 O8 Ru2 -","- C60.5 H60 Cl2 N8 O8 Ru2 -","- C121 H120 Cl4 N16 O16 Ru4 -","2","0.25","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0515","0.0411","","","0.1014","0.1121","","","","","","1.076","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111634","11.1163","0.0006","9.5844","0.0005","23.1449","0.0013","90","","90","","90","","2465.9","0.2","174","2","174","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 O3 P -","- C14 H11 O3 P -","- C112 H88 O24 P8 -","8","1","","Toyoharu Miyagawa; Akira Furuko; Katsuhiro Maeda; Hiroshi Katagiri; Yoshio Furusho; Eiji Yashima","Dual Memory of Enantiomeric Helices in a Polyacetylene Induced by a Single Enantiomer","Journal of the American Chemical Society","2005","127","","5018","5019","10.1021/ja0509634","","","0.71073","MoKα","","0.0411","0.0384","","","0.1074","0.1102","","","","","","1.054","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4111635","12.5352","0.0006","6.4598","0.0003","14.2511","0.0007","90","","109.476","0.001","90","","1087.95","0.09","248","2","248","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 N O3 P -","- C24 H24 N O3 P -","- C48 H48 N2 O6 P2 -","2","1","","Toyoharu Miyagawa; Akira Furuko; Katsuhiro Maeda; Hiroshi Katagiri; Yoshio Furusho; Eiji Yashima","Dual Memory of Enantiomeric Helices in a Polyacetylene Induced by a Single Enantiomer","Journal of the American Chemical Society","2005","127","","5018","5019","10.1021/ja0509634","","","0.71073","MoKα","","0.0405","0.0391","","","0.1009","0.1024","","","","","","1.071","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111636","10.65","0.02","6.6","0.01","11.9","0.02","90","","91.94","0.07","90","","836","2","93.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 F6 N2 S2 -","- C18 H8 F6 N2 S2 -","- C36 H16 F12 N4 S4 -","2","0.5","","Shinji Ando; Jun-ichi Nishida; Hirokazu Tada; Youji Inoue; Shizuo Tokito; Yoshiro Yamashita","High Performance n-Type Organic Field-Effect Transistors Based on π-Electronic Systems with Trifluoromethylphenyl Groups","Journal of the American Chemical Society","2005","127","","5336","5337","10.1021/ja042219+","","","0.7107","MoKα","","","0.0528","","","","0.0677","","","","","","1.908","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111637","6.0507","","8.1828","","23.2685","","98","","93","","97","","1129.53","","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H12 F6 N2 S4 -","- C26 H12 F6 N2 S4 -","- C52 H24 F12 N4 S8 -","2","1","","Shinji Ando; Jun-ichi Nishida; Hirokazu Tada; Youji Inoue; Shizuo Tokito; Yoshiro Yamashita","High Performance n-Type Organic Field-Effect Transistors Based on π-Electronic Systems with Trifluoromethylphenyl Groups","Journal of the American Chemical Society","2005","127","","5336","5337","10.1021/ja042219+","","","0.7107","MoKα","","","0.0828","","","","0.1971","","","","","","0.969","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111638","6.154","0.009","7.604","0.009","19.5","0.03","90","","97.18","0.06","90","","905","2","93.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H12 F6 S2 -","- C22 H12 F6 S2 -","- C44 H24 F12 S4 -","2","0.5","","Shinji Ando; Jun-ichi Nishida; Hirokazu Tada; Youji Inoue; Shizuo Tokito; Yoshiro Yamashita","High Performance n-Type Organic Field-Effect Transistors Based on π-Electronic Systems with Trifluoromethylphenyl Groups","Journal of the American Chemical Society","2005","127","","5336","5337","10.1021/ja042219+","","","0.7107","MoKα","","","0.0507","","","","0.0602","","","","","","0.866","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111639","8.7408","0.0005","25.7847","0.0014","9.2802","0.0005","90","","103.983","0.001","90","","2029.58","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 F7 Ir P -","- C18 H27 F7 Ir P -","- C72 H108 F28 Ir4 P4 -","4","1","","Russell P. Hughes; Roman B. Laritchev; Lev N. Zakharov; Arnold L. Rheingold","Carbon-Fluorine Bond Activation Coupled with Carbon-Carbon Bond Formation at Iridium. Confirmation of Complete Kinetic Diastereoselectivity at the New Carbon Stereocenter by Intramolecular Trapping Using Vinyl as the Migrating Group","Journal of the American Chemical Society","2005","127","","6325","6334","10.1021/ja042345d","","","0.71073","MoKα","","0.0252","0.0225","","","0.0534","0.055","","","","","","0.812","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111640","14.8066","0.0011","9.0186","0.0007","16.9374","0.0012","90","","103.559","0.001","90","","2198.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 F6 I Ir P -","- C18 H27 F6 I Ir P -","- C72 H108 F24 I4 Ir4 P4 -","4","1","","Russell P. Hughes; Roman B. Laritchev; Lev N. Zakharov; Arnold L. Rheingold","Carbon-Fluorine Bond Activation Coupled with Carbon-Carbon Bond Formation at Iridium. Confirmation of Complete Kinetic Diastereoselectivity at the New Carbon Stereocenter by Intramolecular Trapping Using Vinyl as the Migrating Group","Journal of the American Chemical Society","2005","127","","6325","6334","10.1021/ja042345d","","","0.71073","MoKα","","0.0314","0.0259","","","0.0564","0.0581","","","","","","1.016","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111641","12.1256","0.0009","12.5665","0.0009","18.2649","0.0013","84.388","0.001","73.367","0.001","84.618","0.001","2647.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H38 B F30 Ir P -","- C50 H27 B F30 Ir P -","- C100 H54 B2 F60 Ir2 P2 -","2","1","","Russell P. Hughes; Roman B. Laritchev; Lev N. Zakharov; Arnold L. Rheingold","Carbon-Fluorine Bond Activation Coupled with Carbon-Carbon Bond Formation at Iridium. Confirmation of Complete Kinetic Diastereoselectivity at the New Carbon Stereocenter by Intramolecular Trapping Using Vinyl as the Migrating Group","Journal of the American Chemical Society","2005","127","","6325","6334","10.1021/ja042345d","","","0.71073","MoKα","","0.058","0.0527","","","0.1183","0.1202","","","","","","1.209","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111642","14.097","0.003","14.036","0.003","10.923","0.002","90","","99.97","0.03","90","","2128.6","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 I Li N2 O2 -","- C6 H10 I Li N2 O2 -","- C48 H80 I8 Li8 N16 O16 -","8","1","","Hongxia Wang; Hong Li; Bofei Xue; Zhaoxiang Wang; Qingbo Meng; Liquan Chen","Solid-State Composite Electrolyte LiI/3-Hydroxypropionitrile/SiO2 for Dye-Sensitized Solar Cells","Journal of the American Chemical Society","2005","127","","6394","6401","10.1021/ja043268p","","","0.71073","MoKα","","0.0274","0.0233","","","0.0565","0.0576","","","","","","1.075","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111643","16.122","0.002","15.48","0.002","22.026","0.003","90","","95.67","0.01","90","","5470.1","1.2","173","2","173","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C52 H49 F12 N4 O2 P3 Ru S3 -","- C52 H49 F12 N4 O2 P3 Ru S3 -","- C208 H196 F48 N16 O8 P12 Ru4 S12 -","4","1","","Carolyn Moorlag; Michael O. Wolf; Cornelia Bohne; Brian O. Patrick","Reversible Molecular Switching of Ruthenium Bis(bipyridyl) Groups Bonded to Oligothiophenes: Effect on Electrochemical and Spectroscopic Properties","Journal of the American Chemical Society","2005","127","","6382","6393","10.1021/ja043573a","","","0.71073","MoKα","","0.0482","0.0318","","","0.0854","0.0914","","","","","","1.054","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111644","9.9392","0.0012","11.9992","0.0016","19.528","0.003","73.361","0.005","77.896","0.005","88.836","0.005","2179.9","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H36 F6 N4 P2 Ru S3 -","- C46 H36 F6 N4 P2 Ru S3 -","- C92 H72 F12 N8 P4 Ru2 S6 -","2","1","","Carolyn Moorlag; Michael O. Wolf; Cornelia Bohne; Brian O. Patrick","Reversible Molecular Switching of Ruthenium Bis(bipyridyl) Groups Bonded to Oligothiophenes: Effect on Electrochemical and Spectroscopic Properties","Journal of the American Chemical Society","2005","127","","6382","6393","10.1021/ja043573a","","","0.71073","MoKα","","0.0631","0.0374","","","0.0882","0.1067","","","","","","1.063","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111645","12.8576","0.001","14.6776","0.0009","20.1152","0.001","77.793","0.007","89.283","0.007","87.576","0.008","3706.9","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H85 B F10 N4 P2 Ru S5 -","- C76 H84.542 B F10 N4 P2 Ru S5 -","- C152 H169.084 B2 F20 N8 P4 Ru2 S10 -","2","1","","Carolyn Moorlag; Michael O. Wolf; Cornelia Bohne; Brian O. Patrick","Reversible Molecular Switching of Ruthenium Bis(bipyridyl) Groups Bonded to Oligothiophenes: Effect on Electrochemical and Spectroscopic Properties","Journal of the American Chemical Society","2005","127","","6382","6393","10.1021/ja043573a","","","0.71069","MoKα","","0.1337","0.0743","","","0.165","0.2162","","","","","","1.017","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111646","22.541","0.005","22.541","0.005","22.541","0.005","90","0.005","90","0.005","90","0.005","11453","4","293","2","293","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C59 H63 N5 O17 Zn4 -","- C42 H24 N2 O13 Zn4 -","- C336 H192 N16 O104 Zn32 -","8","0.166667","","Eun Young Lee; Seung Yeon Jang; Myunghyun Paik Suh","Multifunctionality and Crystal Dynamics of a Highly Stable, Porous Metal-Organic Framework [Zn4O(NTB)2]","Journal of the American Chemical Society","2005","127","","6374","6381","10.1021/ja043756x","","","0.71073","MoKα","","0.1358","0.0898","","","0.2815","0.3019","","","","","","1.07","","","","has coordinates","213986","2020-10-21","18:00:00",""
"4111647","22.393","0.005","22.393","0.005","22.393","0.005","90","0.005","90","0.005","90","0.005","11229","4","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C42 H24 N2 O13 Zn4 -","- C14 H8 N0.666667 O4.33333 Zn1.33333 -","- C336 H192 N16 O104 Zn32 -","24","1","","Eun Young Lee; Seung Yeon Jang; Myunghyun Paik Suh","Multifunctionality and Crystal Dynamics of a Highly Stable, Porous Metal-Organic Framework [Zn4O(NTB)2]","Journal of the American Chemical Society","2005","127","","6374","6381","10.1021/ja043756x","","","0.71073","MoKα","","0.1584","0.072","","","0.1888","0.2537","","","","","","1.152","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111648","22.4509","0.0004","22.4509","0.0004","22.4509","0.0004","90","","90","","90","","11316.2","0.3","293","2","293","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C42 H24 N2 O13 Zn4 -","- C14 H8 N0.666667 O4.33333 Zn1.33333 -","- C336 H192 N16 O104 Zn32 -","24","0.5","","Eun Young Lee; Seung Yeon Jang; Myunghyun Paik Suh","Multifunctionality and Crystal Dynamics of a Highly Stable, Porous Metal-Organic Framework [Zn4O(NTB)2]","Journal of the American Chemical Society","2005","127","","6374","6381","10.1021/ja043756x","","","0.71073","MoKα","","0.1185","0.0823","","","0.2442","0.2854","","","","","","1.17","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111649","9.0912","0.0018","18.649","0.004","28.255","0.006","90","","96.25","0.03","90","","4761.9","1.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Si -","- C30 H26 Si -","- C240 H208 Si8 -","8","2","","Gui Yu; Shiwei Yin; Yunqi Liu; Jiangshan Chen; Xinjun Xu; Xiaobo Sun; Dongge Ma; Xiaowei Zhan; Qian Peng; Zhigang Shuai; Benzhong Tang; Daoben Zhu; Weihai Fang; Yi Luo","Structures, Electronic States, Photoluminescence, and Carrier Transport Properties of 1,1-Disubstituted 2,3,4,5-Tetraphenylsiloles","Journal of the American Chemical Society","2005","127","","6335","6346","10.1021/ja044628b","","","0.71073","MoKα","","0.1466","0.0745","","","0.1908","0.2144","","","","","","1.027","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111650","10.189","0.0003","11.2713","0.0006","11.987","0.0005","88.827","0.0004","76.811","0.003","88.576","0.002","1339.75","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H28 Si -","- C35 H28 Si -","- C70 H56 Si2 -","2","1","","Gui Yu; Shiwei Yin; Yunqi Liu; Jiangshan Chen; Xinjun Xu; Xiaobo Sun; Dongge Ma; Xiaowei Zhan; Qian Peng; Zhigang Shuai; Benzhong Tang; Daoben Zhu; Weihai Fang; Yi Luo","Structures, Electronic States, Photoluminescence, and Carrier Transport Properties of 1,1-Disubstituted 2,3,4,5-Tetraphenylsiloles","Journal of the American Chemical Society","2005","127","","6335","6346","10.1021/ja044628b","","","0.71073","MoKα","","0.0962","0.0535","","","0.1093","0.1213","","","","","","0.92","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111651","28.423","0.003","6.5858","0.0008","17.641","0.002","90","","97.363","0.002","90","","3275","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C152 H208 O16 -","8","1","","Shengming Ma; Zhenhua Gu","PdCl2-Catalyzed Two-Component Cross-Coupling Cyclization of 2,3-Allenoic Acids with 2,3-Allenols. An Efficient Synthesis of 4-(1',3'-Dien-2'-yl)-2(5H)-furanone Derivatives","Journal of the American Chemical Society","2005","127","","6182","6183","10.1021/ja0500815","","","0.71073","MoKα","","0.0763","0.0534","","","0.1292","0.1419","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111652","13.085","0.001","7.901","0.0006","15.038","0.001","90","","90","","90","","1554.7","0.2","126.2","","126.2","","","","","","","","","3","P n a 21","P 2c -2n","33","Sterekunthal B","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Jeremiah P. Malerich; Thomas J. Maimone; Gregory I. Elliott; Dirk Trauner","Biomimetic Synthesis of Antimalarial Naphthoquinones","Journal of the American Chemical Society","2005","127","","6276","6283","10.1021/ja050092y","","","0.7107","MoKα","","0.0553","0.0458","","0.0573","0.0552","0.0552","","","","","","1.651","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111653","5.5937","0.0006","10.5483","0.0011","12.4593","0.0013","90","","90.314","0.002","90","","735.14","0.13","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ag4 F2 O6 V2 -","- Ag4 F2 O6 V2 -","- Ag16 F8 O24 V8 -","4","1","","Erin M. Sorensen; Heather K. Izumi; John T. Vaughey; Charlotte L. Stern; Kenneth R. Poeppelmeier","Ag4V2O6F2: An Electrochemically Active and High Silver Density Phase","Journal of the American Chemical Society","2005","127","","6347","6352","10.1021/ja050150f","","","0.71073","MoKα","","0.04","0.0342","","","0.0776","0.0813","","","","","","1.13","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111654","7.51","0.02","8.08","0.02","12.98","0.02","80.83","0.07","83.69","0.08","87.54","0.06","773","3","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Cl10 Ir2 Sn2 -","- C16 H24 Cl10 Ir2 Sn2 -","- C16 H24 Cl10 Ir2 Sn2 -","1","0.5","","Joyanta Choudhury; Susmita Podder; Sujit Roy","Cooperative Friedel-Crafts Catalysis in Heterobimetallic Regime: Alkylation of Aromatics by π-Activated Alcohols","Journal of the American Chemical Society","2005","127","","6162","6163","10.1021/ja0506004","","","0.71073","MoKα","","0.0538","0.0476","","","0.1199","0.1225","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111655","16.9601","0.001","6.23599","0.00029","7.28294","0.00033","90","","90","","90","","770.27","0.07","","","293","2","","","","","","","","5","C m c m","-C 2c 2","63","Hydrated Copper(II) bispyrazolate","catena-aquo-(bis(μ~2~-pyrazolato)-copper(ii))","","- C6 H8 Cu N4 O -","- C6 Cu N4 O -","- C24 Cu4 N16 O4 -","4","0.25","","Augusto Cingolani; Simona Galli; Norberto Masciocchi; Luciano Pandolfo; Claudio Pettinari; Angelo Sironi","Sorption-Desorption Behavior of Bispyrazolato-Copper(II) 1D Coordination Polymers","Journal of the American Chemical Society","2005","127","","6144","6145","10.1021/ja050856+","","x-ray","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111656","9.0553","0.0011","7.40105","0.00062","5.59697","0.00042","90","","99.4756","0.0072","90","","369.98","0.06","","","403","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Copper(II) bispyrazolate","catena-(bis(μ~2~-pyrazolato)-copper(ii)) (beta from)","","- C6 H6 Cu N4 -","- C6 Cu N4 -","- C12 Cu2 N8 -","2","0.5","","Augusto Cingolani; Simona Galli; Norberto Masciocchi; Luciano Pandolfo; Claudio Pettinari; Angelo Sironi","Sorption-Desorption Behavior of Bispyrazolato-Copper(II) 1D Coordination Polymers","Journal of the American Chemical Society","2005","127","","6144","6145","10.1021/ja050856+","","x-ray","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111657","27.382","0.004","10.834","0.002","18.963","0.005","90","","90","","90","","5625","2","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H52 N3 Na Zn -","- C23 H52 N3 Na Zn -","- C184 H416 N24 Na8 Zn8 -","8","1","","Prokopis C. Andrikopoulos; David R. Armstrong; Helen R. L. Barley; William Clegg; Sophie H. Dale; Eva Hevia; Gordon W. Honeyman; Alan R. Kennedy; Robert E. Mulvey","Sodium Dialkyl-amidozincates: Alkyl or Amido Bases? An Experimental and Theoretical Case Study","Journal of the American Chemical Society","2005","127","","6184","6185","10.1021/ja050860l","","","0.71073","MoKα","","0.1255","0.08","","","0.2098","0.2414","","","","","","1.093","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111658","16.5118","0.0005","10.9189","0.0002","16.8603","0.0005","90","","111.755","0.001","90","","2823.26","0.13","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H48 N3 Na Zn -","- C25 H48 N3 Na Zn -","- C100 H192 N12 Na4 Zn4 -","4","1","","Prokopis C. Andrikopoulos; David R. Armstrong; Helen R. L. Barley; William Clegg; Sophie H. Dale; Eva Hevia; Gordon W. Honeyman; Alan R. Kennedy; Robert E. Mulvey","Sodium Dialkyl-amidozincates: Alkyl or Amido Bases? An Experimental and Theoretical Case Study","Journal of the American Chemical Society","2005","127","","6184","6185","10.1021/ja050860l","","","0.71073","MoKα","","0.1046","0.0467","","","0.0816","0.0963","","","","","","1.011","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111659","8.6508","0.0006","11.8054","0.0009","17.1606","0.0013","108.408","0.001","92.778","0.001","110.72","0.001","1529.8","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","di(bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-(mu2-1,1,1,5,5,5-hexafluoro- acetylacetonato)-bismuth(iii))-bis(1,1,1,5,5,5-hexafluoroacetylacetonato)- manganese(ii)","","- C40 H8 Bi2 F48 Mn O16 -","- C40 H8 Bi2 F48 Mn O16 -","- C40 H8 Bi2 F48 Mn O16 -","1","0.5","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.0403","0.037","","","0.0974","0.0996","","","","","","1.031","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111660","8.7717","0.0005","11.7532","0.0007","16.934","0.001","107.844","0.001","93.551","0.001","111.02","0.001","1521.96","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","di(bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-(mu2-1,1,1,5,5,5-hexafluoro- acetylacetonato)-bismuth(iii))-bis(1,1,1,5,5,5-hexafluoroacetylacetonato)- iron(ii)","","- C40 H8 Bi2 F48 Fe O16 -","- C40 H8 Bi2 F48 Fe O16 -","- C40 H8 Bi2 F48 Fe O16 -","1","0.5","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.0404","0.037","","","0.0984","0.101","","","","","","1.05","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111661","8.7556","0.0006","11.7149","0.0007","16.9468","0.0011","107.688","0.001","93.67","0.001","111.024","0.001","1516.29","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","di(bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-(mu2-1,1,1,5,5,5-hexafluoro- acetylacetonato)-bismuth(iii))-bis(1,1,1,5,5,5-hexafluoroacetylacetonato)- cobalt(ii)","","- C40 H8 Bi2 Co F48 O16 -","- C40 H8 Bi2 Co F48 O16 -","- C40 H8 Bi2 Co F48 O16 -","1","0.5","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.035","0.0325","","","0.0871","0.0886","","","","","","1.041","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111662","8.796","0.0005","11.695","0.0007","16.8434","0.001","107.403","0.001","94.115","0.001","111.058","0.001","1511.37","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","di(bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-(mu2-1,1,1,5,5,5-hexafluoro- acetylacetonato)-bismuth(iii))-bis(1,1,1,5,5,5-hexafluoroacetylacetonato)- nickel(ii)","","- C40 H8 Bi2 F48 Ni O16 -","- C40 H8 Bi2 F48 Ni O16 -","- C40 H8 Bi2 F48 Ni O16 -","1","0.5","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.0604","0.0441","","","0.101","0.1074","","","","","","1.022","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111663","8.6959","0.0005","11.2432","0.0006","16.8765","0.0009","73.722","0.001","76.46","0.001","69.634","0.001","1467.66","0.14","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","di(bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-(mu2-1,1,1,5,5,5-hexafluoro- acetylacetonato)-bismuth(iii))-bis(1,1,1,5,5,5-hexafluoroacetylacetonato)- copper(ii)","","- C40 H8 Bi2 Cu F48 O16 -","- C40 H8 Bi2 Cu F48 O16 -","- C40 H8 Bi2 Cu F48 O16 -","1","0.5","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.0221","0.021","","","0.0511","0.0516","","","","","","1.054","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111664","8.7341","0.0004","11.6818","0.0006","17.0724","0.0009","107.801","0.001","93.307","0.001","111.138","0.001","1519","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","di(bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-(mu2-1,1,1,5,5,5-hexafluoro- acetylacetonato)-bismuth(iii))-bis(1,1,1,5,5,5-hexafluoroacetylacetonato)- zinc(ii)","","- C40 H8 Bi2 F48 O16 Zn -","- C40 H8 Bi2 F48 O16 Zn -","- C40 H8 Bi2 F48 O16 Zn -","1","0.5","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.039","0.0375","","","0.0995","0.1007","","","","","","1.046","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111665","8.5897","0.0005","12.6092","0.0008","21.8838","0.0014","104.701","0.001","93.353","0.001","97.644","0.001","2261.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","tris(1,1,1,5,5,5-hexafluoroacetylacetonato)-bismuth(iii)","","- C15 H3 Bi F18 O6 -","- C15 H3 Bi F18 O6 -","- C60 H12 Bi4 F72 O24 -","4","2","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.0307","0.0273","","","0.068","0.0695","","","","","","1.034","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111666","20.3991","0.0011","7.8389","0.0004","20.312","0.0011","90","","109.276","0.001","90","","3065.9","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-zinc(ii)","","- C10 H2 F12 O4 Zn -","- C10 H2 F12 O4 Zn -","- C80 H16 F96 O32 Zn8 -","8","1","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.0707","0.0657","","","0.174","0.1783","","","","","","1.085","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111667","22.541","0.005","22.541","0.005","22.541","0.005","90","0.005","90","0.005","90","0.005","11453","4","293","2","293","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C59 H63 N5 O17 Zn4 -","- C48 H24 N5 O13 Zn4 -","- C384 H192 N40 O104 Zn32 -","8","0.166667","","Eun Young Lee; Seung Yeon Jang; Myunghyun Paik Suh","Multifunctionality and Crystal Dynamics of a Highly Stable, Porous Metal-Organic Framework [Zn4O(NTB)2]","Journal of the American Chemical Society","2005","127","","6374","6381","10.1021/ja043756x","","","0.71073","MoKα","","0.1605","0.0978","","","0.2775","0.3103","","","","","","1.102","","4111646","","has coordinates","215354","2020-10-21","18:00:00",""
"4111668","8.224","0.001","12.397","0.001","12.573","0.001","104.553","0.003","91.723","0.002","95.255","0.003","1233.6","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","dipropargyl 1-((5-dimethylaminonaphthalene-1-sulfonyl)amidomethyl)-7-oxabicyclo[2.2.1]hept-2,5-diene-2,3-dicarboxylate","","- C27 H24 N2 O7 S -","- C27 H24 N2 O7 S -","- C54 H48 N4 O14 S2 -","2","1","","Hong, Vu; Kislukhin, Alexander A; Finn, M G","Thiol-selective fluorogenic probes for labeling and release.","Journal of the American Chemical Society","2009","131","29","9986","9994","10.1021/ja809345d","","","0.71074","MoKα","","0.0803","0.0572","","","0.1427","0.1556","","","","","","1.015","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111669","43.32","0.01","7.1157","0.0016","15.208","0.003","90","","90","","90","","4687.9","1.8","120","2","120","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C68 H56 -","- C68 H56 -","- C272 H224 -","4","0.5","","Steven D. Karlen; Rafael Ortiz; Orville L. Chapman; Miguel A. Garcia-Garibay","Effects of Rotational Symmetry Order on the Solid State Dynamics of Phenylene and Diamantane Rotators","Journal of the American Chemical Society","2005","127","","6554","6555","10.1021/ja042512+","","","0.71073","MoKα","","0.1602","0.112","","","0.2496","0.2714","","","","","","1.151","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111670","18.94","0.01","24.79","0.02","24.33","0.01","90","","97.77","0.09","90","","11319","12","30","2","30","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","((Co(tmphen)2)3(Fe(CN)6)2).9H2O","'((Co(tmphen)2)3(Fe(CN)6)2).9H2O","","- C108 H114 Co3 Fe2 N24 O9 -","- C108 H96 Co3 Fe2 N24 O9 -","- C432 H384 Co12 Fe8 N96 O36 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.2097","0.1255","","","0.3021","0.3514","","","","","","1.094","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111671","19.04","0.04","24.77","0.05","24.56","0.05","90","","97.72","0.09","90","","11478","4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{Co(tmphen)2)3(Fe(CN)6)2}.12H2O","{Co(tmphen)2)3(Fe(CN)6)2}.12H2O","","- C108 H120 Co3 Fe2 N24 O12 -","- C108 H96 Co3 Fe2 N24 O12 -","- C432 H384 Co12 Fe8 N96 O48 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1204","0.0835","","","0.2368","0.2645","","","","","","1.043","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111672","19.02","0.01","25.03","0.02","24.65","0.02","90","","97.86","0.02","90","","11625","15","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{[Co(tmphen)2]3[Fe(CN)6]2}.13H2O","{[Co(tmphen)2]3[Fe(CN)6]2}.13H2O","","- C108 H122 Co3 Fe2 N24 O13 -","- C108 H96 Co3 Fe2 N24 O13 -","- C432 H384 Co12 Fe8 N96 O52 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1219","0.076","","","0.2058","0.2358","","","","","","1.035","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111673","19.054","0.014","24.95","0.02","24.782","0.018","90","","97.688","0.019","90","","11675","15","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{(Co(tmphen)2)3(Fe(CN)6)2}.11H2O","{(Co(tmphen)2)3(Fe(CN)6)2}.11H2O","","- C108 H118 Co3 Fe2 N24 O11 -","- C108 H96 Co3 Fe2 N24 O11 -","- C432 H384 Co12 Fe8 N96 O44 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1289","0.0971","","","0.2587","0.2881","","","","","","1.136","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111674","19.05","0.05","25.16","0.07","24.45","0.07","90","","97.62","0.06","90","","11615","6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{[Co(tmphen)2]3[Fe(CN)6]2}.8H2O","{[Co(tmphen)2]3[Fe(CN)6]2}.8H2O","","- C108 H112 Co3 Fe2 N24 O8 -","- C108 H96 Co3 Fe2 N24 O8 -","- C432 H384 Co12 Fe8 N96 O32 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1901","0.121","","","0.2919","0.3452","","","","","","0.989","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111675","19.09","0.019","25.21","0.03","24.69","0.02","90","","97.67","0.04","90","","11776","2","173","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","((Co(tmphen)2)3(Fe(CN)6)2).7H2O","((Co(tmphen)2)3(Fe(CN)6)2).7H2O","","- C108 H110 Co3 Fe2 N24 O7 -","- C108 H96 Co3 Fe2 N24 O7 -","- C432 H384 Co12 Fe8 N96 O28 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1344","0.0954","","","0.2664","0.2941","","","","","","1.013","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111676","19.223","0.004","25.188","0.005","24.805","0.005","90","","97.45","0.03","90","","11909","4","190","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","((Co(tmphen)2)3(Fe(CN)6)2).8H2O","{[Co(tmphen)2]3[Fe(CN)6]2}.8H2O","","- C108 H112 Co3 Fe2 N24 O8 -","- C108 H96 Co3 Fe2 N24 O8 -","- C432 H384 Co12 Fe8 N96 O32 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1801","0.0997","","","0.2431","0.2933","","","","","","1.012","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111677","19.261","0.004","25.123","0.005","24.782","0.005","90","","97.74","0.03","90","","11883","4","210","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{[Co(tmphen)2]3[Fe(CN)6]2}.9H2O","{[Co(tmphen)2]3[Fe(CN)6]2}.9H2O","","- C108 H114 Co3 Fe2 N24 O9 -","- C108 H96 Co3 Fe2 N24 O8.99 -","- C432 H384 Co12 Fe8 N96 O35.96 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1076","0.0765","","","0.2234","0.2545","","","","","","1.034","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111678","19.04","0.02","24.91","0.03","24.62","0.04","90","","97.64","0.08","90","","11573","3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{[Co(tmphen)2]3[Fe(CN)6]2}.6H2O","{[Co(tmphen)2]3[Fe(CN)6]2}.6H2O","","- C108 H108 Co3 Fe2 N24 O6 -","- C108 H96 Co3 Fe2 N24 O6 -","- C432 H384 Co12 Fe8 N96 O24 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1167","0.0735","","","0.2089","0.2365","","","","","","1.035","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111679","18.86","0.03","25.22","0.03","29.69","0.05","90","","97.52","0.06","90","","14001","4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Na((Co(tmphen)2)3(Fe(CN)6)2)2ClO4.34H2O","","- C107 H164 Cl2 Co3 Fe2 N24 Na O42 -","- C107 H96 Cl2 Co3 Fe2 N24 Na O42 -","- C428 H384 Cl8 Co12 Fe8 N96 Na4 O168 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1773","0.096","","","0.2443","0.2996","","","","","","1.009","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111680","18.53","0.003","18.53","0.003","31.483","0.006","90","","90","","120","","9362","3","110","2","110","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","{[Co(bpy)2]3[Fe(CN)6]2}[Fe(CN)6]1/3","{[Co(bpy)2]3[Fe(CN)6]2}[Fe(CN)6]1/3","","- C74 H88 Co3 Fe2.33 N26 O20 -","- C73.98 H48 Co3 Fe2.33 N25.98 O20.01 -","- C295.92 H192 Co12 Fe9.32 N103.92 O80.04 -","4","0.333333","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.0799","0.0699","","","0.1892","0.1963","","","","","","1.122","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111681","5.521","0.003","7.874","0.004","18.048","0.008","90","","96.83","0.04","90","","779","0.7","143","2","143","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C32 H52 O6 -","2","1","","Tarek Sammakia; Deidre M. Johns; Ganghyeok Kim; Martin A. Berliner","Remote Asymmetric Induction in an Intramolecular Ionic Diels-Alder Reaction: Application to the Total Synthesis of (+)-Dihydrocompactin","Journal of the American Chemical Society","2005","127","","6504","6505","10.1021/ja043506g","","","0.71073","MoKα","","0.0882","0.0512","","","0.1153","0.1304","","","","","","0.98","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111682","9.1369","0.0012","7.1216","0.001","16.715","0.002","90","","104.815","0.002","90","","1051.5","0.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Yellow Tl[Pt(CN)~2~(C~4~H~9~N~4~)","","","- C6 H9 N6 Pt Tl -","- C6 H9 N6 Pt Tl -","- C24 H36 N24 Pt4 Tl4 -","4","1","","Jay R. Stork; Marilyn M. Olmstead; Alan L. Balch","Polymorphs with Varying Platinum(II)-Thallium(I) Interactions","Journal of the American Chemical Society","2005","127","","6512","6513","10.1021/ja050014a","","","0.71073","MoKα","","0.0438","0.028","","","0.0531","0.0583","","","","","","1.067","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111683","19.5045","0.0014","6.178","0.0004","8.4794","0.0006","90","","90","","90","","1021.76","0.12","90","2","90","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Red Tl[Pt(CN)~2~(C~4~H~9~N~4~)]","","","- C6 H9 N6 Pt Tl -","- C6 H9 N6 Pt Tl -","- C24 H36 N24 Pt4 Tl4 -","4","0.5","","Jay R. Stork; Marilyn M. Olmstead; Alan L. Balch","Polymorphs with Varying Platinum(II)-Thallium(I) Interactions","Journal of the American Chemical Society","2005","127","","6512","6513","10.1021/ja050014a","","","0.71073","MoKα","","0.0364","0.0283","","","0.0739","0.0784","","","","","","1.075","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111684","10.7027","0.0013","18.094","0.002","16.504","0.002","90","","101.632","0.002","90","","3130.4","0.6","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","(Ph~4~As)[(C~4~H~9~N~4~)Pt(CN)~2~]^.^3.5H~2~O","","","- C30 H36 As N6 O3.5 Pt -","- C30 H36 As N6 O3.5 Pt -","- C120 H144 As4 N24 O14 Pt4 -","4","2","","Jay R. Stork; Marilyn M. Olmstead; Alan L. Balch","Polymorphs with Varying Platinum(II)-Thallium(I) Interactions","Journal of the American Chemical Society","2005","127","","6512","6513","10.1021/ja050014a","","","0.71073","MoKα","","0.048","0.0447","","","0.1112","0.113","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111685","17.1345","0.0007","20.4994","0.0009","20.6618","0.0009","90","","105.575","0.001","90","","6990.9","0.5","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H62 Cl2 Cu2 N4 O3.75 -","- C72 H62 Cl2 Cu2 N4 O3.75 -","- C288 H248 Cl8 Cu8 N16 O15 -","4","2","","Joshua J. Van Veldhuizen; John E. Campbell; Russell E. Giudici; Amir H. Hoveyda","A Readily Available Chiral Ag-Based N-Heterocyclic Carbene Complex for Use in Efficient and Highly Enantioselective Ru-Catalyzed Olefin Metathesis and Cu-Catalyzed Allylic Alkylation Reactions","Journal of the American Chemical Society","2005","127","","6877","6882","10.1021/ja050179j","","","0.71073","MoKα","","0.1227","0.0805","","","0.23","0.2466","","","","","","0.993","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111686","16.5636","0.0018","20.131","0.002","21.073","0.002","90","","98.589","0.002","90","","6947.8","1.2","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H66 Ag2 Cl4 N4 O2 -","- C74 H66 Ag2 Cl4 N4 O2 -","- C296 H264 Ag8 Cl16 N16 O8 -","4","0.5","","Joshua J. Van Veldhuizen; John E. Campbell; Russell E. Giudici; Amir H. Hoveyda","A Readily Available Chiral Ag-Based N-Heterocyclic Carbene Complex for Use in Efficient and Highly Enantioselective Ru-Catalyzed Olefin Metathesis and Cu-Catalyzed Allylic Alkylation Reactions","Journal of the American Chemical Society","2005","127","","6877","6882","10.1021/ja050179j","","","0.71073","MoKα","","0.1039","0.0878","","","0.1906","0.1987","","","","","","1.18","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111687","11.315","0.0006","11.7401","0.0007","11.9111","0.0007","81.072","0.001","70.858","0.001","71.09","0.001","1411.98","0.14","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N4 O4 S2 -","- C30 H30 N4 O4 S2 -","- C60 H60 N8 O8 S4 -","2","1","","Konstantinos Kavallieratos; Jay M. Rosenberg; Wei-Zhong Chen; Tong Ren","Fluorescent Sensing and Selective Pb(II) Extraction by a Dansylamide Ion-Exchanger","Journal of the American Chemical Society","2005","127","","6514","6515","10.1021/ja050296e","","","0.71073","MoKα","","0.0584","0.0393","","","0.0996","0.1063","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111688","13.6067","0.0009","8.1374","0.0004","17.5031","0.0009","90","","109.835","0.003","90","","1823.02","0.18","233","2","233","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 B F4 Fe -","- C18 H26 B F4 Fe -","- C72 H104 B4 F16 Fe4 -","4","0.5","","Herwig Schottenberger; Klaus Wurst; Ulrich J. Griesser; Ram K. R. Jetti; Gerhard Laus; Rolfe H. Herber; Israel Nowik","57Fe-Labeled Octamethylferrocenium Tetrafluoroborate. X-ray Crystal Structures of Conformational Isomers, Hyperfine Interactions, and Spin-Lattice Relaxation by Moessbauer Spectroscopy","Journal of the American Chemical Society","2005","127","","6795","6801","10.1021/ja050452h","","","0.71073","MoKα","","0.0395","0.031","","","0.0796","0.0828","","","","","","1.053","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111689","8.4","0.001","8.503","0.001","25.916","0.004","90","","94.353","0.006","90","","1845.7","0.4","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 B F4 Fe -","- C18 H26 B F4 Fe -","- C72 H104 B4 F16 Fe4 -","4","1","","Herwig Schottenberger; Klaus Wurst; Ulrich J. Griesser; Ram K. R. Jetti; Gerhard Laus; Rolfe H. Herber; Israel Nowik","57Fe-Labeled Octamethylferrocenium Tetrafluoroborate. X-ray Crystal Structures of Conformational Isomers, Hyperfine Interactions, and Spin-Lattice Relaxation by Moessbauer Spectroscopy","Journal of the American Chemical Society","2005","127","","6795","6801","10.1021/ja050452h","","","0.71073","MoKα","","0.1066","0.0578","","","0.1261","0.1414","","","","","","0.971","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111690","14.3989","0.0014","13.4806","0.0013","17.224","0.0016","90","","112.324","0.002","90","","3092.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[3,5-(i-Pr)2PzCu]3","","","- C27 H45 Cu3 N6 -","- C27 H45 Cu3 N6 -","- C108 H180 Cu12 N24 -","4","1","","H. V. Rasika Dias; Himashinie V. K. Diyabalanage; Maha G. Eldabaja; Oussama Elbjeirami; Manal A. Rawashdeh-Omary; Mohammad A. Omary","Brightly Phosphorescent Trinuclear Copper(I) Complexes of Pyrazolates: Substituent Effects on the Supramolecular Structure and Photophysics","Journal of the American Chemical Society","2005","127","","7489","7501","10.1021/ja0427146","","","0.71073","MoKα","","0.0279","0.0248","","","0.0657","0.0672","","","","","","1.078","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111691","15.0852","0.0007","18.0948","0.0009","13.116","0.0006","90","","100.771","0.001","90","","3517.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[3-(CF3)PzCu]3","","","- C12 H6 Cu3 F9 N6 -","- C12 H6 Cu3 F9 N6 -","- C96 H48 Cu24 F72 N48 -","8","2","","H. V. Rasika Dias; Himashinie V. K. Diyabalanage; Maha G. Eldabaja; Oussama Elbjeirami; Manal A. Rawashdeh-Omary; Mohammad A. Omary","Brightly Phosphorescent Trinuclear Copper(I) Complexes of Pyrazolates: Substituent Effects on the Supramolecular Structure and Photophysics","Journal of the American Chemical Society","2005","127","","7489","7501","10.1021/ja0427146","","","0.71073","MoKα","","0.0949","0.0598","","","0.1467","0.1699","","","","","","1.012","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111692","12.7722","0.0005","22.3549","0.0009","7.45","0.0003","90","","107.766","0.001","90","","2025.69","0.14","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","[3-(CF3),5-(CH3)PzCu]3","","","- C15 H12 Cu3 F9 N6 -","- C15 H12 Cu3 F9 N6 -","- C60 H48 Cu12 F36 N24 -","4","1","","H. V. Rasika Dias; Himashinie V. K. Diyabalanage; Maha G. Eldabaja; Oussama Elbjeirami; Manal A. Rawashdeh-Omary; Mohammad A. Omary","Brightly Phosphorescent Trinuclear Copper(I) Complexes of Pyrazolates: Substituent Effects on the Supramolecular Structure and Photophysics","Journal of the American Chemical Society","2005","127","","7489","7501","10.1021/ja0427146","","","0.71073","MoKα","","0.0226","0.022","","","0.0583","0.0585","","","","","","1.059","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111693","11.7498","0.0004","19.5123","0.0007","13.1595","0.0005","90","","90.688","0.001","90","","3016.8","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[3-(CF3),5-(Ph)PzCu]3","","","- C30 H18 Cu3 F9 N6 -","- C30 H18 Cu3 F9 N6 -","- C120 H72 Cu12 F36 N24 -","4","1","","H. V. Rasika Dias; Himashinie V. K. Diyabalanage; Maha G. Eldabaja; Oussama Elbjeirami; Manal A. Rawashdeh-Omary; Mohammad A. Omary","Brightly Phosphorescent Trinuclear Copper(I) Complexes of Pyrazolates: Substituent Effects on the Supramolecular Structure and Photophysics","Journal of the American Chemical Society","2005","127","","7489","7501","10.1021/ja0427146","","","0.71073","MoKα","","0.0348","0.031","","","0.0789","0.0809","","","","","","1.106","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111694","9.1553","0.0004","11.3906","0.0005","12.2324","0.0005","66.407","0.001","74.453","0.001","78.547","0.001","1120.21","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[3,5-(CF3)2Pz]3","","","- C15 H3 Cu3 F18 N6 -","- C15 H3 Cu3 F18 N6 -","- C30 H6 Cu6 F36 N12 -","2","1","","H. V. Rasika Dias; Himashinie V. K. Diyabalanage; Maha G. Eldabaja; Oussama Elbjeirami; Manal A. Rawashdeh-Omary; Mohammad A. Omary","Brightly Phosphorescent Trinuclear Copper(I) Complexes of Pyrazolates: Substituent Effects on the Supramolecular Structure and Photophysics","Journal of the American Chemical Society","2005","127","","7489","7501","10.1021/ja0427146","","","0.71073","MoKα","","0.0383","0.0356","","","0.0939","0.0968","","","","","","1.048","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111695","16.7624","0.0006","13.6917","0.0006","11.9969","0.0004","90","","106.005","0.0025","90","","2646.63","0.18","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 O6 -","- C9 H3 O6 -","- C108 H36 O72 -","12","3","","Fang Guo; Kenneth D. M. Harris","Structural Understanding of a Molecular Material that Is Accessed Only by a Solid-State Desolvation Process: The Scope of Modern Powder X-ray Diffraction Techniques","Journal of the American Chemical Society","2005","127","","7314","7315","10.1021/ja050733p","","","","","","","","","","","","","","","","","","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111696","11.905","0.002","19.325","0.003","17.425","0.003","90","","90","","90","","4008.9","1.1","375","2","375","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C15 H12 Co N5 O6 -","- C15 H12 Co N5 O6 -","- C120 H96 Co8 N40 O48 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0521","0.0448","","","0.1212","0.1287","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111697","12.22","0.004","19.151","0.007","17.46","0.006","90","","90","","90","","4086","2","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C17 H18 Co N5 O7 -","- C17 H13 Co N5 O7 -","- C136 H104 Co8 N40 O56 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0562","0.0444","","","0.1277","0.1391","","","","","","1.062","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111698","12.0529","0.0015","19.227","0.002","17.48","0.002","90","","90","","90","","4050.8","0.8","300","2","300","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C16 H16 Co N5 O7 -","- C16 H16 Co N5 O7 -","- C128 H128 Co8 N40 O56 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0752","0.056","","","0.1526","0.1707","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111699","11.984","0.008","19.23","0.013","17.372","0.012","90","","90","","90","","4003","5","300","2","300","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C17 H15 Co N6 O6 -","- C17 H15 Co N6 O6 -","- C136 H120 Co8 N48 O48 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0841","0.0714","","","0.1899","0.1996","","","","","","1.104","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111700","12.699","0.013","19.21","0.02","17.76","0.02","90","","90","","90","","4333","8","320","2","320","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C18 H18 Co N5 O7 -","- C18 H18 Co N5 O7 -","- C144 H144 Co8 N40 O56 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0943","0.0683","","","0.1709","0.1945","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111701","13.116","0.005","19.085","0.007","17.934","0.007","90","","90","","90","","4489","3","310","2","310","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C19 H20 Co N5 O7 -","- C19 H20 Co N5 O7 -","- C152 H160 Co8 N40 O56 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.1295","0.0944","","","0.2571","0.2962","","","","","","1.075","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111702","11.372","0.0016","17.486","0.003","11.3736","0.0016","90","","114.319","0.002","90","","2061","0.5","305","2","305","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C16 H14 Cl2 Co N5 O6 -","- C16 H14 Cl2 Co N5 O6 -","- C64 H56 Cl8 Co4 N20 O24 -","4","1","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0505","0.0455","","","0.1236","0.129","","","","","","1.08","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111703","6.8229","0.0009","10.7754","0.0018","18.558","0.003","90","","90","","90","","1364.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Br N4 O5 -","- C11 H15 Br N4 O5 -","- C44 H60 Br4 N16 O20 -","4","1","","Frank Seela; Xiaohua Peng; Hong Li","Base-Pairing, Tautomerism, and Mismatch Discrimination of 7-Halogenated 7-Deaza-2'-deoxyisoguanosine: Oligonucleotide Duplexes with Parallel and Antiparallel Chain Orientation","Journal of the American Chemical Society","2005","127","","7739","7751","10.1021/ja0425785","","","0.71073","MoKα","","0.0659","0.0497","","","0.1206","0.1323","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111704","15.2552","0.001","16.7611","0.0011","21.8794","0.0014","90","","91.146","0.001","90","","5593.3","0.6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1(2)","","","- C58 H82 F2 Fe2 N4 -","- C58 H82 F2 Fe2 N4 -","- C232 H328 F8 Fe8 N16 -","4","0.5","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.0816","0.0543","","","0.1057","0.1134","","","","","","1.076","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111705","23.48","0.003","8.5555","0.0011","17.105","0.002","90","","108.491","0.003","90","","3258.7","0.7","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2","(diketiminate)iron(ii) fluoride","","- C35 H53 F Fe N2 -","- C35 H53 F Fe N2 -","- C140 H212 F4 Fe4 N8 -","4","0.5","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.0608","0.0409","","","0.0886","0.0965","","","","","","1.03","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111706","10.0195","0.0011","12.4908","0.0013","18.648","0.002","107.879","0.002","103.667","0.002","91.076","0.002","2147.7","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","3","","","- C39 H63 B F4 Fe N2 O -","- C39 H63 B F4 Fe N2 O -","- C78 H126 B2 F8 Fe2 N4 O2 -","2","1","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.0528","0.0399","","","0.1157","0.1221","","","","","","1.122","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111707","15.403","0.0008","26.3684","0.0015","19.7988","0.0011","90","","97.304","0.001","90","","7976.1","0.8","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4","L(tBu)FeSSiMe3","","- C38 H62 Fe N2 S Si -","- C38 H62 Fe N2 S Si -","- C304 H496 Fe8 N16 S8 Si8 -","8","2","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.1248","0.0479","","","0.0779","0.0952","","","","","","0.899","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111708","16.941","0.002","12.5476","0.0016","19.408","0.003","90","","90.781","0.002","90","","4125.2","1","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5","","","- C40 H62 Fe N2 Si -","- C40 H62 Fe N2 Si -","- C160 H248 Fe4 N8 Si4 -","4","1","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.0782","0.0453","","","0.0953","0.1133","","","","","","1.044","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111709","11.5959","0.0015","18.315","0.002","28.59","0.004","90","","98.87","0.002","90","","5999.3","1.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6(2)","","","- C62 H94 Fe2 N4 O -","- C62 H94 Fe2 N4 O -","- C248 H376 Fe8 N16 O4 -","4","1","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.2056","0.0791","","","0.1954","0.2344","","","","","","1.048","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111710","9.864","0.0009","12.2956","0.0011","17.9941","0.0016","96.695","0.002","97.672","0.002","112.544","0.002","1963.7","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","2(CH3CN)","","","- C39 H59 F Fe N4 -","- C39 H59 F Fe N4 -","- C78 H118 F2 Fe2 N8 -","2","1","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.1025","0.0944","","","0.191","0.1943","","","","","","1.39","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111711","13.9028","0.0006","20.4954","0.0009","18.804","0.0006","90","","128.169","0.002","90","","4212.5","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2(tBupy)","","","- C44 H66 F Fe N3 -","- C44 H66 F Fe N3 -","- C176 H264 F4 Fe4 N12 -","4","1","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.1164","0.0523","","","0.115","0.1383","","","","","","1.016","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111712","8.6321","0.001","12.4465","0.0014","18.43","0.002","92.217","0.002","91.025","0.002","99.486","0.002","1951","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","1(tBupy)","","","- C38 H54 F Fe N3 -","- C38 H54 F Fe N3 -","- C76 H108 F2 Fe2 N6 -","2","1","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.0789","0.0607","","","0.1699","0.1797","","","","","","1.073","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111713","8.9028","0.0008","12.657","0.0011","18.2746","0.0015","93.323","0.001","101.575","0.002","94.635","0.002","2004.9","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","1(CF3py)","","","- C42 H59 F4 Fe N3 O -","- C42 H59 F4 Fe N3 O -","- C84 H118 F8 Fe2 N6 O2 -","2","1","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.1494","0.086","","","0.2304","0.2739","","","","","","1.039","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111714","12.0916","0.0004","17.4974","0.0005","16.9911","0.0006","90","","107.961","0.001","90","","3419.65","0.19","200","2","200","2","","","","","","","chemical synthesis","7","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl-triphenylphosphine-[P,S,S-tris(2-thiomethyl-N-pyrrolyl)- phosphine]chromium(0)","","- C35 H33 Cr N3 O2 P2 S3 -","- C35 H33 Cr N3 O2 P2 S3 -","- C140 H132 Cr4 N12 O8 P8 S12 -","4","1","","M. F. Semmelhack; Anatoly Chlenov; Douglas M. Ho","Accelerated Arene Ligand Exchange in the (Arene)Cr(CO)2L Series","Journal of the American Chemical Society","2005","127","","7759","7773","10.1021/ja042705x","","","0.71073","MoKα","","0.0673","0.0434","","0.1173","","0.1052","","","1.023","","","1.074","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111715","9.7378","0.0005","14.3953","0.0005","15.0391","0.0007","82.259","0.002","87.558","0.002","82.399","0.002","2069.93","0.16","200","2","200","2","","","","","","","chemical synthesis","7","P -1","-P 1","2","","Benzenedicarbonyl[P-bis(N-pyrrolyl)(2-thiomethyl-N-pyrrolyl)phosphine]- chromium(0)","","- C21 H20 Cr N3 O2 P S -","- C21 H20 Cr N3 O2 P S -","- C84 H80 Cr4 N12 O8 P4 S4 -","4","2","","M. F. Semmelhack; Anatoly Chlenov; Douglas M. Ho","Accelerated Arene Ligand Exchange in the (Arene)Cr(CO)2L Series","Journal of the American Chemical Society","2005","127","","7759","7773","10.1021/ja042705x","","","0.71073","MoKα","","0.0943","0.0483","","0.1162","","0.0978","","","1.009","","","1.068","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111716","8.0625","0.0001","13.2833","0.0002","10.8836","0.0002","90","","108.951","0.001","90","","1102.42","0.03","200","2","200","2","","","","","","","chemical synthesis","6","P 1 21 1","P 2yb","4","","(eta6-Benzene)dicarbonyl{P-bis(N-pyrrolyl)[2-(N,N-dimethylcarbamoyl)- pyrrolyl]phosphine}chromium(0)","","- C23 H23 Cr N4 O3 P -","- C23 H23 Cr N4 O3 P -","- C46 H46 Cr2 N8 O6 P2 -","2","1","","M. F. Semmelhack; Anatoly Chlenov; Douglas M. Ho","Accelerated Arene Ligand Exchange in the (Arene)Cr(CO)2L Series","Journal of the American Chemical Society","2005","127","","7759","7773","10.1021/ja042705x","","","0.71073","MoKα","","0.0585","0.0427","","0.1115","","0.1022","","","1.053","","","1.067","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111717","6.1482","0.0007","7.4742","0.0008","12.3697","0.0013","90","","95.089","0.002","90","","566.18","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H8 Cl4 N2 W -","- C5 H8 Cl4 N2 W -","- C10 H16 Cl8 N4 W2 -","2","1","","Omar J. Bchir; Kelly M. Green; Hiral M. Ajmera; Elizabeth A. Zapp; Timothy J. Anderson; Benjamin C. Brooks; Laurel L. Reitfort; David H. Powell; Khalil A. Abboud; Lisa McElwee-White","Tungsten Allylimido Complexes Cl4(RCN)W(NC3H5) as Single-Source CVD Precursors for WNxCyThin Films. Correlation of Precursor Fragmentation to Film Properties","Journal of the American Chemical Society","2005","127","","7825","7833","10.1021/ja043799d","","","0.71073","MoKα","","0.0469","0.0372","","","0.0883","0.0936","","","","","","1.047","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111718","10.2175","0.0008","10.217","","15.4618","0.0013","90","","90","","90","","1614.09","0.19","295","2","295","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- C11 H8 Cu3 N3 S2 -","- C11 H8 Cu3 N3 S2 -","- C44 H32 Cu12 N12 S8 -","4","0.25","","Xian-Ming Zhang; Rui-Qin Fang; Hai-Shun Wu","A Twelve-Connected Cu6S4 Cluster-Based Coordination Polymer","Journal of the American Chemical Society","2005","127","","7670","7671","10.1021/ja050284t","","","0.71073","MoKα","","0.0384","0.0359","","","0.0942","0.0959","","","","","","1.038","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111719","12.0572","0.0014","18.3235","0.0017","20.0695","0.0018","90","","101.077","0.005","90","","4351.4","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 N2 Zr2 -","- C48 H72 N2 Zr2 -","- C192 H288 N8 Zr8 -","4","1","","Wesley H. Bernskoetter; Jaime A. Pool; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Functionalization with Terminal Alkynes, Amines, and Hydrazines Promoted by [(η5-C5Me4H)2Zr]2(μ2,η2,η2-N2): Observation of Side-On and End-On Diazenido Complexes in the Reduction of N2 to Hydrazine","Journal of the American Chemical Society","2005","127","","7901","7911","10.1021/ja050387b","","","0.71073","MoKα","","0.0571","0.0354","","","0.0908","0.0977","","","","","","1.016","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111720","9.638","0.002","21.033","0.005","18.755","0.004","90","","103.166","0.004","90","","3702","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 I2 N2 Zr2 -","- C36 H54 I2 N2 Zr2 -","- C144 H216 I8 N8 Zr8 -","4","1","","Wesley H. Bernskoetter; Jaime A. Pool; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Functionalization with Terminal Alkynes, Amines, and Hydrazines Promoted by [(η5-C5Me4H)2Zr]2(μ2,η2,η2-N2): Observation of Side-On and End-On Diazenido Complexes in the Reduction of N2 to Hydrazine","Journal of the American Chemical Society","2005","127","","7901","7911","10.1021/ja050387b","","","0.71073","MoKα","","0.0567","0.0356","","","0.0731","0.0786","","","","","","1.04","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111721","22.7229","0.0013","9.4395","0.0005","17.1227","0.001","90","","107.766","0.003","90","","3497.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 Cl2 N2 Zr2 -","- C36 H54 Cl2 N2 Zr2 -","- C144 H216 Cl8 N8 Zr8 -","4","1","","Wesley H. Bernskoetter; Jaime A. Pool; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Functionalization with Terminal Alkynes, Amines, and Hydrazines Promoted by [(η5-C5Me4H)2Zr]2(μ2,η2,η2-N2): Observation of Side-On and End-On Diazenido Complexes in the Reduction of N2 to Hydrazine","Journal of the American Chemical Society","2005","127","","7901","7911","10.1021/ja050387b","","","0.71073","MoKα","","0.0415","0.0277","","","0.0708","0.0748","","","","","","1.02","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111722","10.247","0.0004","10.4473","0.0005","11.0073","0.0005","84.16","0.001","65.265","0.001","71.607","0.001","1014.96","0.08","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H27 F3 N O3 S Zr -","- C19 H27 F3 N O3 S Zr -","- C38 H54 F6 N2 O6 S2 Zr2 -","2","1","","Wesley H. Bernskoetter; Jaime A. Pool; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Functionalization with Terminal Alkynes, Amines, and Hydrazines Promoted by [(η5-C5Me4H)2Zr]2(μ2,η2,η2-N2): Observation of Side-On and End-On Diazenido Complexes in the Reduction of N2 to Hydrazine","Journal of the American Chemical Society","2005","127","","7901","7911","10.1021/ja050387b","","","0.71073","MoKα","","0.0692","0.0509","","","0.1047","0.1107","","","","","","1.011","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111723","9.8743","0.0007","11.2286","0.0008","11.5291","0.0009","64.17","0.001","68.031","0.001","80.648","0.001","1067.02","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 N Zr -","- C25 H34 N Zr -","- C50 H68 N2 Zr2 -","2","1","","Wesley H. Bernskoetter; Jaime A. Pool; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Functionalization with Terminal Alkynes, Amines, and Hydrazines Promoted by [(η5-C5Me4H)2Zr]2(μ2,η2,η2-N2): Observation of Side-On and End-On Diazenido Complexes in the Reduction of N2 to Hydrazine","Journal of the American Chemical Society","2005","127","","7901","7911","10.1021/ja050387b","","","0.71073","MoKα","","0.0439","0.0346","","","0.0812","0.0849","","","","","","1.027","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111724","11.9558","0.0004","14.8509","0.0005","14.1747","0.0005","90","","94.859","0.001","90","","2507.74","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 B11 Cl11 O2 -","- C7 H12 B11 Cl11 O2 -","- C28 H48 B44 Cl44 O8 -","4","1","","Evgenii S. Stoyanov; Stephan P. Hoffmann; Kee-Chan Kim; Fook S. Tham; Christopher A. Reed","The Structure of the H3O+ Hydronium Ion in Benzene","Journal of the American Chemical Society","2005","127","","7664","7665","10.1021/ja050401k","","","0.71073","MoKα","","0.0257","0.0211","","","0.0557","0.0582","","","","","","1.036","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111725","9.4895","0.0014","12.416","0.0017","17.999","0.003","73.906","0.003","80.344","0.003","75.092","0.003","1958.3","0.5","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 B11 Cl11 O -","- C25 H28 B11 Cl11 O -","- C50 H56 B22 Cl22 O2 -","2","1","","Evgenii S. Stoyanov; Stephan P. Hoffmann; Kee-Chan Kim; Fook S. Tham; Christopher A. Reed","The Structure of the H3O+ Hydronium Ion in Benzene","Journal of the American Chemical Society","2005","127","","7664","7665","10.1021/ja050401k","","","0.71073","MoKα","","0.0603","0.0373","","","0.0921","0.1082","","","","","","1.024","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111726","7.51","0.003","15.122","0.006","21.737","0.009","90","","90","","90","","2468.6","1.7","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(+)-verticillyl p-iodobenzoate","(1S,3E,7E,11S,12S)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca- 3,7-dien-12-yl 4-iodobenzoate","","- C27 H37 I O2 -","- C27 H37 I O2 -","- C108 H148 I4 O8 -","4","1","","Yinghua Jin; David C. Williams; Rodney Croteau; Robert M. Coates","Taxadiene Synthase-Catalyzed Cyclization of 6-Fluorogeranylgeranyl Diphosphate to 7-Fluoroverticillenes","Journal of the American Chemical Society","2005","127","","7834","7842","10.1021/ja050592r","","","0.71073","MoKα","","0.0682","0.0325","","","0.0532","0.0592","","","","","","0.88","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111727","15.7131","0.0012","15.8159","0.0012","12.8624","0.0009","90","","101.421","0.002","90","","3133.2","0.4","243","2","243","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 P2 Ru -","- C36 H40 P2 Ru -","- C144 H160 P8 Ru4 -","4","1","","Hairong Guan; Masanori Iimura; Matthew P. Magee; Jack R. Norton; Guang Zhu","Ruthenium-Catalyzed Ionic Hydrogenation of Iminium Cations. Scope and Mechanism","Journal of the American Chemical Society","2005","127","","7805","7814","10.1021/ja0506861","","","0.71073","MoKα","","0.0499","0.03","","","0.0709","0.0759","","","","","","1.036","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111728","17.6272","0.001","11.2434","0.0006","13.457","0.0007","90","","90","","90","","2667","0.2","243","2","243","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H32 P2 Ru -","- C32 H32 P2 Ru -","- C128 H128 P8 Ru4 -","4","1","","Hairong Guan; Masanori Iimura; Matthew P. Magee; Jack R. Norton; Guang Zhu","Ruthenium-Catalyzed Ionic Hydrogenation of Iminium Cations. Scope and Mechanism","Journal of the American Chemical Society","2005","127","","7805","7814","10.1021/ja0506861","","","0.71073","MoKα","","0.0232","0.0217","","","0.0555","0.0563","","","","","","1.053","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111729","15.324","0.003","27.519","0.005","15.849","0.003","90","","115.333","0.003","90","","6041","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(K-crypt)4(Pd2@Ge18)*2tol","","- C86 H160 Ge18 K4 N8 O24 Pd2 -","- C86 H160 Ge18 K4 N8 O24 Pd2 -","- C172 H320 Ge36 K8 N16 O48 Pd4 -","2","0.5","","Jose M. Goicoechea; Slavi C. Sevov","[(Pd-Pd)@Ge18]4-: A Palladium Dimer Inside the Largest Single-Cage Deltahedron","Journal of the American Chemical Society","2005","127","","7676","7677","10.1021/ja051224q","","","0.71073","MoKα","","0.0779","0.0497","","","0.1202","0.1328","","","","","","1.024","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4111730","22.764","0.005","19.015","0.004","29.285","0.006","90","","104.78","0.03","90","","12257","5","153","1","153","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C97 H112 Br8 Cl N8 O31 Tb3 -","- C97 H66 Br8 Cl N8 O31 Tb3 -","- C388 H264 Br32 Cl4 N32 O124 Tb12 -","4","1","","Xiaoping Yang; Richard A. Jones","Anion Dependent Self-Assembly of ""Tetra-Decker"" and ""Triple-Decker"" Luminescent Tb(III) Salen Complexes","Journal of the American Chemical Society","2005","127","","7686","7687","10.1021/ja051292c","","","0.71073","MoKα","","0.2148","0.0845","","","0.1694","0.2178","","","","","","0.976","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111731","20.211","0.004","22.089","0.004","20.519","0.004","90","","114.69","0.03","90","","8323","3","153","1","153","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H78 Br6 Cl N6 O20 Tb3 -","- C78 H72 Br6 Cl N6 O20 Tb3 -","- C312 H288 Br24 Cl4 N24 O80 Tb12 -","4","1","","Xiaoping Yang; Richard A. Jones","Anion Dependent Self-Assembly of ""Tetra-Decker"" and ""Triple-Decker"" Luminescent Tb(III) Salen Complexes","Journal of the American Chemical Society","2005","127","","7686","7687","10.1021/ja051292c","","","0.71073","MoKα","","0.1851","0.0814","","","0.1519","0.1899","","","","","","1.015","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111732","11.38","0.003","12.774","0.003","20.598","0.006","97.506","0.005","100.016","0.006","111.15","0.003","2688.4","1.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C61.5 H64 Bi2 Zr -","- C61.5 H63.5 Bi2 Zr -","- C123 H127 Bi4 Zr2 -","2","1","","Yuzhong Wang; Brandon Quillian; Xiao-Juan Yang; Pingrong Wei; Zhongfang Chen; Chaitanya S. Wannere; Paul V. R. Schleyer; Gregory H. Robinson","A Metallocene-Complexed Dibismuthene: Cp2Zr(BiR)2 (Cp = C5H5; R = C6H3-2,6-Mes2)","Journal of the American Chemical Society","2005","127","","7672","7673","10.1021/ja051704h","","","0.71073","MoKα","","0.0767","0.0453","","","0.0841","0.0935","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111733","19.3","0.004","9.2553","0.0018","25.467","0.005","90","","90","","90","","4549.1","1.6","218","2","218","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H26 B N4 -","- C30 H26 B N4 -","- C240 H208 B8 N32 -","8","1","","Swadhin K. Mandal; Mikhail E. Itkis; Xiaoliu Chi; Satyabrata Samanta; David Lidsky; Robert W. Reed; Richard T. Oakley; Fook S. Tham; Robert C. Haddon","New Family of Aminophenalenyl-Based Neutral Radical Molecular Conductors: Synthesis, Structure, and Solid State Properties","Journal of the American Chemical Society","2005","127","","8185","8196","10.1021/ja0502728","","","0.71073","MoKα","","0.0788","0.0443","","","0.0948","0.1209","","","","","","1.03","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111734","14.293","0.006","19.354","0.008","9.355","0.004","90","","103.517","0.014","90","","2516.2","1.8","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 B N4 -","- C32 H30 B N4 -","- C128 H120 B4 N16 -","4","1","","Swadhin K. Mandal; Mikhail E. Itkis; Xiaoliu Chi; Satyabrata Samanta; David Lidsky; Robert W. Reed; Richard T. Oakley; Fook S. Tham; Robert C. Haddon","New Family of Aminophenalenyl-Based Neutral Radical Molecular Conductors: Synthesis, Structure, and Solid State Properties","Journal of the American Chemical Society","2005","127","","8185","8196","10.1021/ja0502728","","","0.71073","MoKα","","0.1127","0.0599","","","0.1397","0.1619","","","","","","1.031","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111735","13.519","0.003","16.22","0.004","15.878","0.004","90","","112.008","0.006","90","","3228","1.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 B N4 -","- C40 H46 B N4 -","- C160 H184 B4 N16 -","4","1","","Swadhin K. Mandal; Mikhail E. Itkis; Xiaoliu Chi; Satyabrata Samanta; David Lidsky; Robert W. Reed; Richard T. Oakley; Fook S. Tham; Robert C. Haddon","New Family of Aminophenalenyl-Based Neutral Radical Molecular Conductors: Synthesis, Structure, and Solid State Properties","Journal of the American Chemical Society","2005","127","","8185","8196","10.1021/ja0502728","","","0.71073","MoKα","","0.0954","0.0568","","","0.1396","0.1721","","","","","","1.061","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111736","19.777","0.004","10.4","0.002","35.503","0.007","90","","90","","90","","7302","2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H56 Li2 N2 O2 Si2 -","- C34 H56 Li2 N2 O2 Si2 -","- C272 H448 Li16 N16 O16 Si16 -","8","2","","Carsten Strohmann; Daniel Schildbach; Dominik Auer","Selective Si-C Bond Cleavage as Synthetic Entry to a Functionalized Lithiosilane","Journal of the American Chemical Society","2005","127","","7968","7969","10.1021/ja050360s","","","0.71073","MoKα","","0.1163","0.0801","","","0.1663","0.1829","","","","","","1.02","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111737","25.083","0.01","36.373","0.015","5.759","0.002","90","","90","","90","","5254","4","120","2","120","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C14 H18 O5 -","- C14 H18 O5 -","- C224 H288 O80 -","16","1","","Christopher J. Mortko; Miguel A. Garcia-Garibay","Green Chemistry Strategies Using Crystal-to-Crystal Photoreactions: Stereoselective Synthesis and Decarbonylation of trans-α,α'-Dialkenoylcyclohexanones","Journal of the American Chemical Society","2005","127","","7994","7995","10.1021/ja0508166","","","0.71073","MoKα","","0.0374","0.0312","","","0.0752","0.0777","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111738","10.1079","0.0016","7.5164","0.0011","16.973","0.003","90","","95.996","0.002","90","","1282.5","0.4","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","Christopher J. Mortko; Miguel A. Garcia-Garibay","Green Chemistry Strategies Using Crystal-to-Crystal Photoreactions: Stereoselective Synthesis and Decarbonylation of trans-α,α'-Dialkenoylcyclohexanones","Journal of the American Chemical Society","2005","127","","7994","7995","10.1021/ja0508166","","","0.71073","MoKα","","0.1098","0.0983","","","0.2215","0.2258","","","","","","1.151","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111739","11.427","0.006","24.541","0.015","19.626","0.011","90","","90.29","0.02","90","","5504","5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H11 Au F30 N6 -","- C66 H11 Au F30 N6 -","- C264 H44 Au4 F120 N24 -","4","1","","Shigeki Mori; Atsuhiro Osuka","Aromatic and Antiaromatic Gold(III) Hexaphyrins with Multiple Gold-Carbon Bonds","Journal of the American Chemical Society","2005","127","","8030","8031","10.1021/ja051662x","","","0.71075","MoKα","","0.1328","0.0526","","","0.0886","0.0976","","","","","","0.784","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111740","17.983","0.007","26.93","0.01","28.196","0.01","90","","90","","90","","13655","9","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C74 H8 Au2 Cl2 F30 N6 -","- C74 H8 Au2 Cl2 F30 N6 -","- C592 H64 Au16 Cl16 F240 N48 -","8","1","","Shigeki Mori; Atsuhiro Osuka","Aromatic and Antiaromatic Gold(III) Hexaphyrins with Multiple Gold-Carbon Bonds","Journal of the American Chemical Society","2005","127","","8030","8031","10.1021/ja051662x","","","0.71073","MoKα","","0.076","0.0507","","","0.1277","0.1451","","","","","","1.081","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111741","8.5611","0.0002","15.5772","0.0004","18.1567","0.0006","75.3201","0.0012","81.349","0.0011","80.6678","0.0012","2296.09","0.11","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H68 Si2 -","- C54 H68 Si2 -","- C108 H136 Si4 -","2","1","","Marcia M. Payne; Sean R. Parkin; John E. Anthony","Functionalized Higher Acenes: Hexacene and Heptacene","Journal of the American Chemical Society","2005","127","","8028","8029","10.1021/ja051798v","","","0.71073","MoKα","","0.1042","0.0547","","","0.1213","0.1392","","","","","","1.016","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111742","9.2305","0.0004","24.6811","0.0013","25.4062","0.0012","94.319","0.003","95.069","0.003","91.02","0.003","5747.3","0.5","200","0.2","200","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H70 Si8 -","- C52 H70 Si8 -","- C208 H280 Si32 -","4","2","","Marcia M. Payne; Sean R. Parkin; John E. Anthony","Functionalized Higher Acenes: Hexacene and Heptacene","Journal of the American Chemical Society","2005","127","","8028","8029","10.1021/ja051798v","","","1.54178","CuKα","","0.1598","0.0806","","","0.1848","0.2283","","","","","","1.018","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111743","14.2394","0.0004","31.381","0.002","14.2878","0.0007","90","","118.214","0.002","90","","5625.9","0.5","153","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C100 H136 Cu2 F12 N8 O28 S4 -","- C94 H124 Cu2 F12 N8 O28 S4 -","- C188 H248 Cu4 F24 N16 O56 S8 -","2","1","","J. Frantz Folmer-Andersen; Vincent M. Lynch; Eric V. Anslyn","Colorimetric Enantiodiscrimination of α-Amino Acids in Protic Media","Journal of the American Chemical Society","2005","127","","7986","7987","10.1021/ja052029e","","","0.71073","MoKα","","0.23","0.1046","","","0.1563","0.1772","","","","","","1.337","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111744","12.503","0.002","11.806","0.002","8.403","0.0014","90","","94.954","0.004","90","","1235.7","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","David A. Evans; Jimmy Wu","Enantioselective Syn-Selective Scandium-Catalyzed Ene Reactions","Journal of the American Chemical Society","2005","127","","8006","8007","10.1021/ja0522130","","","0.71073","MoKα","","0.0829","0.0469","","","0.109","0.1256","","","","","","0.854","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111745","9.0299","0.0017","9.5091","0.0018","9.0299","0.0017","90","","112.32","","90","","717.3","0.2","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N O2 -","- C16 H20 N O2 -","- C32 H40 N2 O4 -","2","1","","David A. Evans; Jimmy Wu","Enantioselective Syn-Selective Scandium-Catalyzed Ene Reactions","Journal of the American Chemical Society","2005","127","","8006","8007","10.1021/ja0522130","","","0.71073","MoKα","","0.0649","0.0589","","","0.1501","0.1562","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111746","9.0707","0.0014","9.0707","0.0014","32.245","0.009","90","","90","","90","","2653","0.9","193","2","193","2","","","","","","","","4","P 43","P 4cw","78","","","","- C12.44 H16.89 N0.89 O1.78 -","- C12.4444 H16.8889 N0.888889 O1.77778 -","- C112 H152 N8 O16 -","9","2.25","","David A. Evans; Jimmy Wu","Enantioselective Syn-Selective Scandium-Catalyzed Ene Reactions","Journal of the American Chemical Society","2005","127","","8006","8007","10.1021/ja0522130","","","0.71073","MoKα","","0.2038","0.0383","","","0.0384","0.0709","","","","","","0.613","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111747","9.641","0.002","14.903","0.003","9.119","0.0019","90","","90","","90","","1310.2","0.5","193","2","193","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C56 H76 N4 O8 -","4","1","","David A. Evans; Jimmy Wu","Enantioselective Syn-Selective Scandium-Catalyzed Ene Reactions","Journal of the American Chemical Society","2005","127","","8006","8007","10.1021/ja0522130","","","0.71073","MoKα","","0.0864","0.0827","","","0.1459","0.1471","","","","","","1.434","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111748","8.4126","0.0016","9.7041","0.0018","8.6749","0.0016","90","","110.046","0.005","90","","665.3","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C28 H38 N2 O4 -","2","1","","David A. Evans; Jimmy Wu","Enantioselective Syn-Selective Scandium-Catalyzed Ene Reactions","Journal of the American Chemical Society","2005","127","","8006","8007","10.1021/ja0522130","","","0.71073","MoKα","","0.0356","0.0348","","","0.095","0.0961","","","","","","1.05","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111749","13.922","0.003","15.656","0.004","16.346","0.004","90","","93.357","0.005","90","","3556.7","1.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H63 Hg0.5 Mo N O2 Si2 -","- C28 H63 Hg0.5 Mo N O2 Si2 -","- C112 H252 Hg2 Mo4 N4 O8 Si8 -","4","1","","Devon C. Rosenfeld; Peter T. Wolczanski; Khaldoon A. Barakat; Corneliu Buda; Thomas R. Cundari","3-Center-4-Electron Bonding in [(silox)2MoNtBu]2(μ-Hg) Controls Reactivity while Frontier Orbitals Permit a Dimolybdenum π-Bond Energy Estimate","Journal of the American Chemical Society","2005","127","","8262","8263","10.1021/ja051070e","","","0.71073","MoKα","","0.068","0.038","","","0.0805","0.0887","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111750","14.4602","0.0009","14.2263","0.0006","26.795","0.002","90","","94.999","0.006","90","","5491.2","0.6","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H82 Mn2 N4 -","- C58 H82 Mn2 N4 -","- C232 H328 Mn8 N16 -","4","1","","Jianfang Chai; Hongping Zhu; A. Claudia Stückl; Herbert W. Roesky; Jörg Magull; Alessandro Bencini; Andrea Caneschi; Dante Gatteschi","Synthesis and Reaction of [{HC(CMeNAr)2}Mn]2 (Ar = 2,6-iPr2C6H3): The Complex Containing Three-Coordinate Manganese(I) with a Mn-Mn Bond Exhibiting Unusual Magnetic Properties and Electronic Structure","Journal of the American Chemical Society","2005","127","","9201","9206","10.1021/ja042269e","","","0.71073","MoKα","","0.0716","0.0414","","","0.0781","0.0825","","","","","","0.953","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111751","15.4921","0.0012","16.3958","0.0009","21.3688","0.0017","90","","90.802","0.006","90","","5427.3","0.7","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H82 Mn2 N4 O2 -","- C58 H82 Mn2 N4 O2 -","- C232 H328 Mn8 N16 O8 -","4","0.5","","Jianfang Chai; Hongping Zhu; A. Claudia Stückl; Herbert W. Roesky; Jörg Magull; Alessandro Bencini; Andrea Caneschi; Dante Gatteschi","Synthesis and Reaction of [{HC(CMeNAr)2}Mn]2 (Ar = 2,6-iPr2C6H3): The Complex Containing Three-Coordinate Manganese(I) with a Mn-Mn Bond Exhibiting Unusual Magnetic Properties and Electronic Structure","Journal of the American Chemical Society","2005","127","","9201","9206","10.1021/ja042269e","","","0.71073","MoKα","","0.0664","0.0421","","","0.0873","0.0962","","","","","","1.024","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111752","8.201","0.0008","22.308","0.002","24.79","0.002","90","","90","","90","","4535.3","0.7","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H68 N6 O8 -","- C44 H68 N6 O8 -","- C176 H272 N24 O32 -","4","1","","Monika Mazik; Hüseyin Cavga; Peter G. Jones","Molecular Recognition of Carbohydrates with Artificial Receptors: Mimicking the Binding Motifs Found in the Crystal Structures of Protein-Carbohydrate Complexes","Journal of the American Chemical Society","2005","127","","9045","9052","10.1021/ja043037i","","","0.71073","MoKα","","0.1091","0.0643","","","0.1357","0.1519","","","","","","0.982","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111753","8.4195","0.0014","13.515","0.002","14.38","0.002","105.375","0.008","95.393","0.008","92.464","0.008","1566.8","0.4","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H45 N9 O -","- C32 H45 N9 O -","- C64 H90 N18 O2 -","2","1","","Monika Mazik; Hüseyin Cavga; Peter G. Jones","Molecular Recognition of Carbohydrates with Artificial Receptors: Mimicking the Binding Motifs Found in the Crystal Structures of Protein-Carbohydrate Complexes","Journal of the American Chemical Society","2005","127","","9045","9052","10.1021/ja043037i","","","0.71073","MoKα","","0.1245","0.0623","","","0.136","0.1558","","","","","","0.89","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111754","12.8296","0.0014","13.624","0.0014","14.112","0.0014","118.715","0.004","105.839","0.004","100.505","0.004","1932.2","0.4","133","2","133","2","","","","","","","","4","P 1","P 1","1","","","","- C76 H112 N18 O7 -","- C76 H112 N18 O7 -","- C76 H112 N18 O7 -","1","1","","Monika Mazik; Hüseyin Cavga; Peter G. Jones","Molecular Recognition of Carbohydrates with Artificial Receptors: Mimicking the Binding Motifs Found in the Crystal Structures of Protein-Carbohydrate Complexes","Journal of the American Chemical Society","2005","127","","9045","9052","10.1021/ja043037i","","","0.71073","MoKα","","0.0693","0.0465","","","0.0977","0.1063","","","","","","0.947","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111755","10.3141","0.0003","13.1178","0.0004","17.064","0.001","93.178","0.002","94.933","0.002","95.508","0.002","2284.83","0.17","183.2","","183.2","","","","","","","","","4","P -1","-P 1","2","","","","- C57 H60 N3 O2 -","- C61 H62 N3 O2 -","- C122 H124 N6 O4 -","2","1","","X. Z. Yan; J. Pawlas; T. Goodson; J. F. Hartwig","Polaron Delocalization in Ladder Macromolecular Systems","Journal of the American Chemical Society","2005","127","","9105","9116","10.1021/ja050184n","","","0.7107","MoKalpha","","","0.0606","","","0.0775","","","","","3.501","3.501","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111756","7.328","0.002","7.328","0.002","16.795","0.006","90","","90","","120","","781.1","0.4","183","2","183","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","plumbojarosite","lead triiron(iii)bis(sulfate)hexahyrdoxide","","- Fe3 H6 O14 Pb0.5 S2 -","- Fe3 H6 O14 Pb0.5 S2 -","- Fe9 H18 O42 Pb1.5 S6 -","3","0.0833333","","Bart M. Bartlett; Daniel G. Nocera","Long-Range Magnetic Ordering in Iron Jarosites Prepared by Redox-Based Hydrothermal Methods","Journal of the American Chemical Society","2005","127","","8985","8993","10.1021/ja050205d","","","0.71073","MoKα","","0.0297","0.0268","","","0.0538","0.0552","","","","","","1.19","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111757","7.33","0.0009","7.33","0.0009","16.497","0.003","90","","90","","120","","767.62","0.19","183","2","183","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","argentojarosite","silver triiron(iii)bis(sulfate)hexahyrdoxide","","- Ag Fe3 H6 O14 S2 -","- Ag Fe3 H6 O14 S2 -","- Ag3 Fe9 H18 O42 S6 -","3","0.0833333","","Bart M. Bartlett; Daniel G. Nocera","Long-Range Magnetic Ordering in Iron Jarosites Prepared by Redox-Based Hydrothermal Methods","Journal of the American Chemical Society","2005","127","","8985","8993","10.1021/ja050205d","","","0.71073","MoKα","","0.0259","0.0255","","","0.0642","0.0644","","","","","","1.224","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111758","7.3226","0.0007","7.3226","0.0007","17.61","0.002","90","","90","","120","","817.75","0.14","183","2","183","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","thallium jarosite","thallium triiron(iii)bis(sulfate)hexahyrdoxide","","- Fe3 H6 O14 S2 Tl -","- Fe3 H12 O14 S2 Tl -","- Fe9 H36 O42 S6 Tl3 -","3","0.0833333","","Bart M. Bartlett; Daniel G. Nocera","Long-Range Magnetic Ordering in Iron Jarosites Prepared by Redox-Based Hydrothermal Methods","Journal of the American Chemical Society","2005","127","","8985","8993","10.1021/ja050205d","","","0.71073","MoKα","","0.0207","0.0207","","","0.0546","0.0546","","","","","","1.292","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111759","7.3902","0.0009","7.3902","0.0009","17.498","0.003","90","","90","","120","","827.6","0.2","183","2","183","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","potassium triiron(iii)bis(selenate)hexahyrdoxide","","- Fe3 H6 K O14 Se2 -","- Fe3 H6 K O14 Se2 -","- Fe9 H18 K3 O42 Se6 -","3","0.0833333","","Bart M. Bartlett; Daniel G. Nocera","Long-Range Magnetic Ordering in Iron Jarosites Prepared by Redox-Based Hydrothermal Methods","Journal of the American Chemical Society","2005","127","","8985","8993","10.1021/ja050205d","","","0.71073","MoKα","","0.0374","0.0367","","","0.0781","0.0786","","","","","","1.245","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111760","7.4022","0.0016","7.4022","0.0016","17.816","0.005","90","","90","","120","","845.4","0.4","100","2","100","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","rubidium triiron(iii)bis(sulfate)hexahyrdoxide","","- Fe3 H6 O14 Rb Se2 -","- Fe3 H6 O14 Rb Se2 -","- Fe9 H18 O42 Rb3 Se6 -","3","0.0833333","","Bart M. Bartlett; Daniel G. Nocera","Long-Range Magnetic Ordering in Iron Jarosites Prepared by Redox-Based Hydrothermal Methods","Journal of the American Chemical Society","2005","127","","8985","8993","10.1021/ja050205d","","","0.71073","MoKα","","0.0162","0.0156","","","0.0433","0.0436","","","","","","1.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111761","20","0.004","20","0.004","71.74","0.02","90","","90","","120","","24851","10","93.1","","","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C84 H187 N41 O56 Ru Zn6 -","- C84 H144 N39 O50 Ru Zn6 -","- C504 H864 N234 O300 Ru6 Zn36 -","6","0.5","","Shin Aoki; Mohd Zulkefeli; Motoo Shiro; Masanori Kohsako; Kei Takeda; Eiichi Kimura","A Luminescence Sensor of Inositol 1,4,5-Triphosphate and Its Model Compound by Ruthenium-Templated Assembly of a Bis(Zn2±Cyclen) Complex Having a 2,2'-Bipyridyl Linker (Cyclen = 1,4,7,10-Tetraazacyclododecane)","Journal of the American Chemical Society","2005","127","","9129","9139","10.1021/ja050876b","","","1.54175","CuKα","","","0.133","","","","0.366","","","","","","1.157","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111762","7.6487","0.0013","14.877","0.003","16.803","0.003","90","","90","","90","","1912","0.6","119","","119","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 N2 O -","- C22 H30 N2 O -","- C88 H120 N8 O4 -","4","1","","Szilárd Csihony; Darcy A. Culkin; Alan C. Sentman; Andrew P. Dove; Robert M. Waymouth; James L. Hedrick","Single-Component Catalyst/Initiators for the Organocatalytic Ring-Opening Polymerization of Lactide","Journal of the American Chemical Society","2005","127","","9079","9084","10.1021/ja050909n","","","0.71073","MoKα","","0.0699","0.0471","","","0.1088","0.122","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111763","19.117","0.004","10.657","0.002","17.412","0.004","90","","94.24","0.03","90","","3537.6","1.3","20","","20","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","","0.394","synchrotron","","0.1337","0.0841","","","0.2229","0.2724","","","","","","1.069","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111764","19.042","0.004","10.657","0.002","17.324","0.004","90","","94.27","0.03","90","","3505.8","1.3","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.1016","0.0517","","","0.126","0.206","","","","","","1.203","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111765","19.0378","0.0004","10.6843","0.0002","17.3365","0.0004","90","","94.332","0.001","90","","3516.27","0.13","125","","125","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0926","0.0508","","","0.1281","0.2044","","","","","","1.201","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111766","19.0605","0.0004","10.6978","0.0002","17.3234","0.0004","90","","94.324","0.001","90","","3522.28","0.13","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0908","0.051","","","0.1308","0.2073","","","","","","1.21","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111767","19.077","0.0004","10.728","0.0002","17.326","0.0004","90","","94.355","0.001","90","","3535.67","0.13","175","","175","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0914","0.0505","","","0.1261","0.2005","","","","","","1.195","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111768","19.0867","0.0004","10.7531","0.0002","17.322","0.0004","90","","94.392","0.001","90","","3544.75","0.13","200","","200","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0915","0.0487","","","0.129","0.2037","","","","","","1.245","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111769","19.0977","0.0004","10.7768","0.0002","17.3233","0.0004","90","","94.45","0.001","90","","3554.6","0.13","225","","225","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0911","0.0473","","","0.1246","0.1934","","","","","","1.228","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111770","19.0942","0.0004","10.7964","0.0003","17.3098","0.0004","90","","94.496","0.001","90","","3557.41","0.15","250","","250","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0915","0.0458","","","0.1248","0.1905","","","","","","1.238","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111771","19.1084","0.0005","10.8267","0.0003","17.31","0.0004","90","","94.551","0.001","90","","3569.82","0.16","275","","275","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0908","0.0454","","","0.1186","0.1799","","","","","","1.192","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111772","19.1115","0.0005","10.8542","0.0003","17.2982","0.0004","90","","94.603","0.001","90","","3576.77","0.16","300","","300","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0895","0.0439","","","0.1191","0.1716","","","","","","1.192","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111773","19.1076","","10.6527","","17.3907","","90","","94.172","","90","","3530.45","","20","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn2.5 N2 O14 -","- C136 H136 Mn10 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","","0.394","Synchrotron","","0.0648","0.0378","","","","0.074","","","","","","0.632","","","","has coordinates","192344","2020-10-21","18:00:00",""
"4111774","10.9696","0.0009","11.216","0.001","19.9887","0.0018","74.715","0.002","76.962","0.002","67.327","0.002","2167.6","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H52 N2 P2 Ru -","- C53 H52 N2 P2 Ru -","- C106 H104 N4 P4 Ru2 -","2","1","","Christine Bibal; Yegor D. Smurnyy; Maren Pink; Kenneth G. Caulton","Exceptionally Facile CO Addition to a Saturated Ruthenium Complex","Journal of the American Chemical Society","2005","127","","8944","8945","10.1021/ja051296h","","","0.71073","MoKα","","0.0318","0.0264","","","0.0703","0.0735","","","","","","1.051","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4111775","14.1027","0.0013","15.1314","0.0014","20.8888","0.0019","90","","90","","90","","4457.5","0.7","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53.29 H52.71 N2 O1.36 P2 Ru -","- C53.29 H52.71 N2 O1.355 P2 Ru -","- C213.16 H210.84 N8 O5.42 P8 Ru4 -","4","1","","Christine Bibal; Yegor D. Smurnyy; Maren Pink; Kenneth G. Caulton","Exceptionally Facile CO Addition to a Saturated Ruthenium Complex","Journal of the American Chemical Society","2005","127","","8944","8945","10.1021/ja051296h","","","0.71073","MoKα","","0.0339","0.0301","","","0.0717","0.0748","","","","","","1.104","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4111776","10.42","0.002","11.869","0.002","18.348","0.004","89.164","0.003","87.914","0.003","73.491","0.003","2174.2","0.7","153","2","153","2","","","","","","","","4","P -1","-P 1","2","trimer","1-(5-(2-(3,5-dimethyl-2-thienyl)hexafluorocyclopententen- 1-yl)-2,4-dimethyl-3-thienyl)-2-(5-(2-(2,4-dimethyl-5- phenyl-3-thienyl)hexafluorocyclopentene-1-yl)-2,4-dimethyl- 3-thienyl)hexafluorocyclopentene","","- C45 H30 F18 S4 -","- C45 H30 F18 S4 -","- C90 H60 F36 S8 -","2","1","","Kenji Higashiguchi; Kenji Matsuda; Naoki Tanifuji; Masahiro Irie","Full-Color Photochromism of a Fused Dithienylethene Trimer","Journal of the American Chemical Society","2005","127","","8922","8923","10.1021/ja051467i","","","0.71073","MoKα","","0.1064","0.0639","","","0.1966","0.2417","","","","","","0.844","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111777","10.4196","0.0032","13.1815","0.004","15.9818","0.0045","95.573","0.003","103.307","0.001","112.526","0.004","1930.8","1","173.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C36 H36 Fe N3 Ni O2 P S4 -","- C36 H36 Fe N3 Ni O2 P S4 -","- C72 H72 Fe2 N6 Ni2 O4 P2 S8 -","2","1","","Zilong Li; Yasuhiro Ohki; Kazuyuki Tatsumi","Dithiolato-Bridged Dinuclear Iron-Nickel Complexes [Fe(CO)2(CN)2(μ-SCH2CH2CH2S)Ni(S2CNR2)]-Modeling the Active Site of [NiFe] Hydrogenase","Journal of the American Chemical Society","2005","127","","8950","8951","10.1021/ja051590+","","","0.7107","MoKα","","","0.0462","","","","0.0777","","","","","","1.79","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111778","13.0487","0.0038","16.8085","0.0037","19.9536","0.0041","65.103","0.011","74.969","0.01","89.502","0.014","3808.6","1.7","173.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C74 H72 Fe2 N6 Ni2 O4 P2 S8 -","- C74 H72 Fe2 N6 Ni2 O4 P2 S8 -","- C148 H144 Fe4 N12 Ni4 O8 P4 S16 -","2","1","","Zilong Li; Yasuhiro Ohki; Kazuyuki Tatsumi","Dithiolato-Bridged Dinuclear Iron-Nickel Complexes [Fe(CO)2(CN)2(μ-SCH2CH2CH2S)Ni(S2CNR2)]-Modeling the Active Site of [NiFe] Hydrogenase","Journal of the American Chemical Society","2005","127","","8950","8951","10.1021/ja051590+","","","0.7107","MoKα","","","0.0426","","","","0.0574","","","","","","1.205","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111779","13.56","0.002","17.953","0.002","20.181","0.002","65.233","0.004","77.021","0.004","86.502","0.005","4344","0.9","173.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C94 H88 Fe2 K N4 O6 P3 S4 -","- C94 H88 Fe2 K N4 O6 P3 S4 -","- C188 H176 Fe4 K2 N8 O12 P6 S8 -","2","1","","Zilong Li; Yasuhiro Ohki; Kazuyuki Tatsumi","Dithiolato-Bridged Dinuclear Iron-Nickel Complexes [Fe(CO)2(CN)2(μ-SCH2CH2CH2S)Ni(S2CNR2)]-Modeling the Active Site of [NiFe] Hydrogenase","Journal of the American Chemical Society","2005","127","","8950","8951","10.1021/ja051590+","","","0.7107","MoKα","","","0.0459","","","","0.0652","","","","","","1.464","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111780","11.7291","0.0011","15.5341","0.0014","15.7892","0.0014","106.088","0.002","109.458","0.002","104.263","0.002","2417.3","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H148 Na2 O20 V2 -","- C92 H148 Na2 O20 V2 -","- C92 H148 Na2 O20 V2 -","1","0.5","","Cindy-Xing Yin; Richard G. Finke","Vanadium-Based, Extended Catalytic Lifetime Catechol Dioxygenases: Evidence for a Common Catalyst","Journal of the American Chemical Society","2005","127","","9003","9013","10.1021/ja051594e","","","0.71073","MoKα","","0.1047","0.0627","","","0.165","0.1897","","","","","","1.036","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111781","11.747","0.003","12.235","0.003","20.608","0.006","83.463","0.005","73.939","0.005","75.432","0.004","2751.6","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H80 N2 O4 Zn -","- C56 H80 N2 O4 Zn -","- C112 H160 N4 O8 Zn2 -","2","1","","Cindy-Xing Yin; Richard G. Finke","Vanadium-Based, Extended Catalytic Lifetime Catechol Dioxygenases: Evidence for a Common Catalyst","Journal of the American Chemical Society","2005","127","","9003","9013","10.1021/ja051594e","","","0.71073","MoKα","","0.0951","0.06","","","0.1444","0.1687","","","","","","1.028","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111782","6.0667","0.0009","6.0667","0.0009","6.0667","0.0009","90","","90","","90","","223.28","0.06","293","2","293","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ag Sb Te2 -","- Ag1.005 Sb0.995 Te2 -","- Ag2.01 Sb1.99 Te4 -","2","0.0416667","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0498","0.043","","","0.1687","0.181","","","","","","1.139","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111783","4.2898","0.0006","4.2898","0.0006","6.0667","0.0012","90","","90","","90","","111.64","0.03","293","2","293","2","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- Ag Sb Te2 -","- Ag Sb Te2 -","- Ag Sb Te2 -","1","0.0625","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0353","0.0279","","","0.0831","0.0896","","","","","","1.124","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111784","4.2898","0.0006","4.2898","0.0006","21.016","0.004","90","","90","","120","","334.93","0.09","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ag Sb Te2 -","- Ag Sb Te2 -","- Ag3 Sb3 Te6 -","3","0.0833333","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0434","0.0284","","","0.0938","0.1127","","","","","","1.107","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111785","6.2173","0.0008","6.2173","0.0008","6.2173","0.0008","90","","90","","90","","240.33","0.05","293","2","293","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Ag1.33 Pb1.33 Sb1.33 Te4 -","- Ag1.35 Pb1.33 Sb1.32 Te4 -","- Ag1.35 Pb1.33 Sb1.32 Te4 -","1","0.0208333","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0425","0.0157","","","0.0477","0.0577","","","","","","1.185","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111786","4.3963","0.0006","4.3963","0.0006","6.2173","0.0012","90","","90","","90","","120.16","0.03","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ag0.67 Pb0.67 Sb0.67 Te2 -","- Ag0.67 Pb0.66 Sb0.67 Te2 -","- Ag0.67 Pb0.66 Sb0.67 Te2 -","1","0.0625","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0307","0.0112","","","0.0323","0.043","","","","","","1.028","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111787","6.4173","0.0008","6.4173","0.0008","6.4173","0.0008","90","","90","","90","","264.28","0.06","293","2","293","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Ag0.5 Pb3 Sb0.5 Te4 -","- Ag0.5 Pb3.01 Sb0.49 Te4 -","- Ag0.5 Pb3.01 Sb0.49 Te4 -","1","0.0208333","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0629","0.0273","","","0.054","0.0766","","","","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111788","4.5377","0.0006","4.5377","0.0006","6.4173","0.0013","90","","90","","90","","132.14","0.04","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ag0.25 Pb1.5 Sb0.25 Te2 -","- Ag0.25 Pb1.5 Sb0.25 Te2 -","- Ag0.25 Pb1.5 Sb0.25 Te2 -","1","0.0625","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0431","0.0247","","","0.0495","0.0593","","","","","","1.194","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111789","6.428","0.0011","6.428","0.0011","6.428","0.0011","90","","90","","90","","265.6","0.08","293","2","293","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Ag0.38 Pb3.23 Sb0.38 Te4 -","- Ag0.38 Pb3.24 Sb0.38 Te4 -","- Ag0.38 Pb3.24 Sb0.38 Te4 -","1","0.0208333","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0486","0.0262","","","0.075","0.09","","","","","","1.287","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111790","4.5453","0.0006","4.5453","0.0006","6.428","0.0013","90","","90","","90","","132.8","0.04","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ag0.19 Pb1.62 Sb0.19 Te2 -","- Ag0.19 Pb1.62 Sb0.19 Te2 -","- Ag0.19 Pb1.62 Sb0.19 Te2 -","1","0.0625","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0331","0.0237","","","0.073","0.0792","","","","","","1.219","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111791","6.4404","0.0012","6.4404","0.0012","6.4404","0.0012","90","","90","","90","","267.14","0.09","293","2","293","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Ag0.25 Pb3.5 Sb0.25 Te4 -","- Ag0.25 Pb3.5 Sb0.25 Te4 -","- Ag0.25 Pb3.5 Sb0.25 Te4 -","1","0.0208333","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0492","0.0208","","","0.0472","0.0628","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111792","4.5538","0.0006","4.5538","0.0006","6.4404","0.0014","90","","90","","90","","133.56","0.04","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ag0.13 Pb1.75 Sb0.13 Te2 -","- Ag0.12 Pb1.75 Sb0.12 Te2 -","- Ag0.12 Pb1.75 Sb0.12 Te2 -","1","0.0625","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0335","0.0209","","","0.0469","0.0545","","","","","","1.061","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111793","10.595","0.006","18.095","0.004","16.82","0.003","90","","96.04","0.02","90","","3207","2","125.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H45 P S -","- C37 H45 P S -","- C148 H180 P4 S4 -","4","1","","Fumiki Murakami; Shigeru Sasaki; Masaaki Yoshifuji","Phosphaquinomethane and Phosphathienoquinomethanes, and Their Anion Radicals","Journal of the American Chemical Society","2005","127","","8926","8927","10.1021/ja052271l","","","0.7107","MoKα","","","0.0351","","","","0.0478","","","","","","1.342","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111794","12.224","0.002","8.8408","0.0015","13.842","0.002","90","","111.607","0.003","90","","1390.8","0.4","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H41 N O6 Si -","- C26 H41 N O6 Si -","- C52 H82 N2 O12 Si2 -","2","1","","Leleti Rajender Reddy; Jean-François Fournier; B. V. Subba Reddy; E. J. Corey","An Efficient, Stereocontrolled Synthesis of a Potent Omuralide-Salinosporin Hybrid for Selective Proteasome Inhibition","Journal of the American Chemical Society","2005","127","","8974","8976","10.1021/ja052376o","","","0.71073","MoKα","","0.0805","0.0759","","","0.1794","0.1824","","","","","","1.169","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111795","10.2343","0.0005","19.118","0.001","20.9287","0.001","67.553","0.003","86.753","0.003","83.63","0.003","3760.8","0.3","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C97 H105 Cd3 Cl12 N9 O21 -","- C100 H48 Cd3 Cl12 N7.5 O15.5 -","- C100 H48 Cd3 Cl12 N7.5 O15.5 -","1","1","","Chuan-De Wu; Aiguo Hu; Lin Zhang; Wenbin Lin","A Homochiral Porous Metal-Organic Framework for Highly Enantioselective Heterogeneous Asymmetric Catalysis","Journal of the American Chemical Society","2005","127","","8940","8941","10.1021/ja052431t","","","0.71073","MoKα","","0.12","0.0827","","","0.222","0.2582","","","","","","1.079","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111796","20.059","0.005","4.8678","0.0011","16.912","0.004","90","","115.89","0.004","90","","1485.6","0.6","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C64 H80 N8 O4 -","4","1","","David A. Evans; Keith R. Fandrick; Hyun-Ji Song","Enantioselective Friedel-Crafts Alkylations of α,β-Unsaturated 2-Acyl Imidazoles Catalyzed by Bis(oxazolinyl)pyridine-Scandium(III) Triflate Complexes","Journal of the American Chemical Society","2005","127","","8942","8943","10.1021/ja052433d","","","0.71073","MoKα","","0.0824","0.0593","","","0.1188","0.1299","","","","","","1.117","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111797","8.3411","0.0003","11.494","0.001","17.698","0.001","90","","92.327","0.002","90","","1695.35","0.19","296.2","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","Hang Yin; Gui-in Lee; Kristine A. Sedey; Olaf Kutzki; Hyung Soon Park; Brendan P. Orner; Justin T. Ernst; Hong-Gang Wang; Said M. Sebti; Andrew D. Hamilton","Terphenyl-Based Bak BH3 α-Helical Proteomimetics as Low-Molecular-Weight Antagonists of Bcl-xL","Journal of the American Chemical Society","2005","127","","10191","10196","10.1021/ja050122x","","","0.7107","MoKalpha","","","0.0496","","","0.0621","","","","","2.828","2.828","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111798","12.916","0.002","13.027","0.002","21.059","0.005","101.03","0.05","100.74","0.05","91.62","0.05","3409.4","1.4","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H68 Fe2 Hg O12 P4 Pt Si2 -","- C68 H68 Fe2 Hg O12 P4 Pt Si2 -","- C136 H136 Fe4 Hg2 O24 P8 Pt2 Si4 -","2","1","","Walter Schuh; Pierre Braunstein; Marc Bénard; Marie-Madeleine Rohmer; Richard Welter","Metal ""Capture"" by a Heterotrimetalloligand, Heterometallic d10-d10 Interactions, and Unexpected Iron-to-Platinum Silyl Ligand Migration: a Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2005","127","","10250","10258","10.1021/ja051389z","","","0.71069","MoKα","","0.0547","0.036","","","0.0897","0.0959","","","","","","1.024","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111799","4.88","0.01","5.75","0.01","29.07","0.05","94.01","0.09","90.78","0.08","105.03","0.09","785","3","93.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H8 N4 S4 -","- C18 H8 N4 S4 -","- C36 H16 N8 S8 -","2","1","","Naraso; Jun-ichi Nishida; Shinji Ando; Jun Yamaguchi; Kenji Itaka; Hideomi Koinuma; Hirokazu Tada; Shizuo Tokito; Yoshiro Yamashita","High-Performance Organic Field-Effect Transistors Based on π-Extended Tetrathiafulvalene Derivatives","Journal of the American Chemical Society","2005","127","","10142","10143","10.1021/ja051755e","","","0.7107","MoKα","","","0.0949","","","","0.2139","","","","","","0.81","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111800","5.929","0.009","7.85","0.01","18.07","0.03","86.44","0.06","82.6","0.06","85.47","0.06","830","2","93.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H12 S4 -","- C22 H12 S4 -","- C44 H24 S8 -","2","1","","Naraso; Jun-ichi Nishida; Shinji Ando; Jun Yamaguchi; Kenji Itaka; Hideomi Koinuma; Hirokazu Tada; Shizuo Tokito; Yoshiro Yamashita","High-Performance Organic Field-Effect Transistors Based on π-Extended Tetrathiafulvalene Derivatives","Journal of the American Chemical Society","2005","127","","10142","10143","10.1021/ja051755e","","","0.7107","MoKα","","","0.0794","","","","0.2367","","","","","","1.96","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111801","8.65","0.01","9.51","0.01","9.43","0.01","74.06","0.04","65.35","0.05","63.74","0.05","628.4","1.2","93.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H4 N4 S4 -","- C10 H4 N4 S4 -","- C20 H8 N8 S8 -","2","1","","Naraso; Jun-ichi Nishida; Shinji Ando; Jun Yamaguchi; Kenji Itaka; Hideomi Koinuma; Hirokazu Tada; Shizuo Tokito; Yoshiro Yamashita","High-Performance Organic Field-Effect Transistors Based on π-Extended Tetrathiafulvalene Derivatives","Journal of the American Chemical Society","2005","127","","10142","10143","10.1021/ja051755e","","","0.7107","MoKα","","","0.1003","","","","0.3655","","","","","","1.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111802","33.844","0.006","9.5051","0.0016","22.643","0.004","90","","121.374","0.003","90","","6219","1.9","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H29.5 O P Re S3 -","- C34.5 H29.5 O P Re S3 -","- C276 H236 O8 P8 Re8 S24 -","8","1","","Ming Li; Arkady Ellern; James H. Espenson","Studies of C-S Bond Cleavage Reactions of Re(V) Dithiolates: Synthesis, Reactivity, and Mechanism","Journal of the American Chemical Society","2005","127","","10436","10447","10.1021/ja0519334","","","0.71073","MoKα","","0.0447","0.0299","","","0.0692","0.0763","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111803","8.2037","0.0014","19.187","0.003","17.022","0.003","90","","95.461","0.003","90","","2667.2","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 P Re S3 -","- C28 H28 P Re S3 -","- C112 H112 P4 Re4 S12 -","4","1","","Ming Li; Arkady Ellern; James H. Espenson","Studies of C-S Bond Cleavage Reactions of Re(V) Dithiolates: Synthesis, Reactivity, and Mechanism","Journal of the American Chemical Society","2005","127","","10436","10447","10.1021/ja0519334","","","0.71073","MoKα","","0.0392","0.0264","","","0.0596","0.0648","","","","","","1.028","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111804","17.345","0.004","10.982","0.002","23.929","0.005","90","","110.753","0.003","90","","4262.3","1.5","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 Cl O P Re S2 -","- C20 H19 Cl O P Re S2 -","- C160 H152 Cl8 O8 P8 Re8 S16 -","8","1","","Ming Li; Arkady Ellern; James H. Espenson","Studies of C-S Bond Cleavage Reactions of Re(V) Dithiolates: Synthesis, Reactivity, and Mechanism","Journal of the American Chemical Society","2005","127","","10436","10447","10.1021/ja0519334","","","0.71073","MoKα","","0.0668","0.0447","","","0.096","0.1052","","","","","","1.079","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111805","10.247","0.002","30.973","0.006","10.28","0.002","90","","100.432","0.003","90","","3208.7","1.1","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cl O P Re S2 -","- C34 H30 Cl O P Re S2 -","- C136 H120 Cl4 O4 P4 Re4 S8 -","4","1","","Ming Li; Arkady Ellern; James H. Espenson","Studies of C-S Bond Cleavage Reactions of Re(V) Dithiolates: Synthesis, Reactivity, and Mechanism","Journal of the American Chemical Society","2005","127","","10436","10447","10.1021/ja0519334","","","0.71073","MoKα","","0.0728","0.0502","","","0.1062","0.1146","","","","","","1.123","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111806","9.272","0.003","11.444","0.003","12.909","0.004","82.415","0.005","80.987","0.004","76.334","0.005","1308.1","0.7","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 O P Re S3 -","- C27 H26 O P Re S3 -","- C54 H52 O2 P2 Re2 S6 -","2","1","","Ming Li; Arkady Ellern; James H. Espenson","Studies of C-S Bond Cleavage Reactions of Re(V) Dithiolates: Synthesis, Reactivity, and Mechanism","Journal of the American Chemical Society","2005","127","","10436","10447","10.1021/ja0519334","","","0.71073","MoKα","","0.0496","0.0364","","","0.0893","0.0964","","","","","","0.953","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111807","10.87","0.003","18.284","0.005","12.674","0.003","90","","110.978","0.005","90","","2352","1.1","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 O P Re S3 -","- C25 H20 O P Re S3 -","- C100 H80 O4 P4 Re4 S12 -","4","1","","Ming Li; Arkady Ellern; James H. Espenson","Studies of C-S Bond Cleavage Reactions of Re(V) Dithiolates: Synthesis, Reactivity, and Mechanism","Journal of the American Chemical Society","2005","127","","10436","10447","10.1021/ja0519334","","","0.71073","MoKα","","0.0544","0.0405","","","0.1092","0.1157","","","","","","1.09","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111808","11.6523","0.0018","19.856","0.003","15.699","0.003","90","","102.833","0.005","90","","3541.5","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 O Si2 Zr -","- C37 H54 O Si2 Zr -","- C148 H216 O4 Si8 Zr4 -","4","1","","Christopher A. Bradley; Emil Lobkovsky; Ivan Keresztes; Paul J. Chirik","Ligand-Induced Haptotropic Rearrangements in Bis(indenyl)zirconium Sandwich Complexes","Journal of the American Chemical Society","2005","127","","10291","10304","10.1021/ja052033q","","","0.71073","MoKα","","0.1018","0.0663","","","0.1576","0.1738","","","","","","1.059","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111809","20.7926","0.0017","25.896","0.002","21.9514","0.0012","90","","106.506","0.003","90","","11332.5","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C102 H168 O6 Si12 Zr3 -","- C102 H168 O6 Si12 Zr3 -","- C408 H672 O24 Si48 Zr12 -","4","1","","Christopher A. Bradley; Emil Lobkovsky; Ivan Keresztes; Paul J. Chirik","Ligand-Induced Haptotropic Rearrangements in Bis(indenyl)zirconium Sandwich Complexes","Journal of the American Chemical Society","2005","127","","10291","10304","10.1021/ja052033q","","","0.71073","MoKα","","0.0728","0.0363","","","0.0714","0.0812","","","","","","0.961","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111810","12.7495","0.001","12.9326","0.001","17.4158","0.0013","87.677","0.002","70.785","0.002","64.14","0.002","2422.1","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H62 O Si4 Zr -","- C54 H62 O Si4 Zr -","- C108 H124 O2 Si8 Zr2 -","2","1","","Christopher A. Bradley; Emil Lobkovsky; Ivan Keresztes; Paul J. Chirik","Ligand-Induced Haptotropic Rearrangements in Bis(indenyl)zirconium Sandwich Complexes","Journal of the American Chemical Society","2005","127","","10291","10304","10.1021/ja052033q","","","0.71073","MoKα","","0.0609","0.0402","","","0.0919","0.1002","","","","","","1.034","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111811","8.5349","0.0016","12.272","0.002","12.397","0.002","77.006","0.004","84.234","0.004","75.749","0.004","1224.9","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H17 D12 F3 O8 Pd S3 -","- C17 H29 F3 O8 Pd S3 -","- C34 H58 F6 O16 Pd2 S6 -","2","1","","Daisuke Tanaka; Stuart P. Romeril; Andrew G. Myers","On the Mechanism of the Palladium(II)-Catalyzed Decarboxylative Olefination of Arene Carboxylic Acids. Crystallographic Characterization of Non-Phosphine Palladium(II) Intermediates and Observation of Their Stepwise Transformation in Heck-like Processes","Journal of the American Chemical Society","2005","127","","10323","10333","10.1021/ja052099l","","x-ray","0.71073","MoKα","","0.0682","0.0417","","","0.0664","0.0724","","","","","","0.93","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111812","9.3554","0.0012","14.1121","0.0019","16.823","0.002","90","","90","","90","","2221","0.5","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 D6 F3 O6 Pd S -","- C20 H21 D6 F3 O6 Pd S -","- C80 H84 D24 F12 O24 Pd4 S4 -","4","1","","Daisuke Tanaka; Stuart P. Romeril; Andrew G. Myers","On the Mechanism of the Palladium(II)-Catalyzed Decarboxylative Olefination of Arene Carboxylic Acids. Crystallographic Characterization of Non-Phosphine Palladium(II) Intermediates and Observation of Their Stepwise Transformation in Heck-like Processes","Journal of the American Chemical Society","2005","127","","10323","10333","10.1021/ja052099l","","","0.71073","MoKα","","0.0351","0.033","","","0.0689","0.0697","","","","","","1.188","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111813","8.759","0.0012","15.009","0.002","42.798","0.006","90","","90","","90","","5626.4","1.3","223","2","223","2","","","","","","","","4","P n a a","-P 2ac 2bc","56","","","","- C30 H36 O2 S2 -","- C30 H36 O2 S2 -","- C240 H288 O16 S16 -","8","1","","Fuke Wang; Ming-Yong Han; Khine Yi Mya; Yubo Wang; Yee-Hing Lai","Aggregation-Driven Growth of Size-Tunable Organic Nanoparticles Using Electronically Altered Conjugated Polymers","Journal of the American Chemical Society","2005","127","","10350","10355","10.1021/ja0521730","","","0.71073","MoKα","","0.1008","0.0836","","","0.1995","0.2071","","","","","","1.129","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111814","17.3267","0.0013","7.2617","0.0005","21.9512","0.0016","90","","90","","90","","2761.9","0.3","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H12 S2 -","- C18 H12 S2 -","- C144 H96 S16 -","8","1","","Fuke Wang; Ming-Yong Han; Khine Yi Mya; Yubo Wang; Yee-Hing Lai","Aggregation-Driven Growth of Size-Tunable Organic Nanoparticles Using Electronically Altered Conjugated Polymers","Journal of the American Chemical Society","2005","127","","10350","10355","10.1021/ja0521730","","","0.71073","MoKα","","0.0777","0.048","","","0.101","0.1103","","","","","","0.905","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111815","17.845","0.002","23.754","0.007","18.033","0.002","90","","96.426","0.004","90","","7596","3","150","","293","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C72 H90 Li4 N6 O24 Ti2 -","- C72 H90 Li4 N6 O24 Ti2 -","- C288 H360 Li16 N24 O96 Ti8 -","4","1","","Markus Albrecht; Sebastian Mirtschin; Marita de Groot; Ingo Janser; Jan Runsink; Gerhard Raabe; Michael Kogej; Christoph A. Schalley; Roland Fröhlich","Hierarchical Assembly of Helicate-Type Dinuclear Titanium(IV) Complexes","Journal of the American Chemical Society","2005","127","","10371","10387","10.1021/ja052326j","","","1.54179","CuKα","","0.13","0.13","","0.198","","0.198","","","1.011","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111816","16.943","0.001","23.962","0.001","14.483","0.001","90","","97.16","0.01","90","","5834.1","0.6","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Li4 N4 O22 Ti2 -","- C54 H52 Li4 N4 O22 Ti2 -","- C216 H208 Li16 N16 O88 Ti8 -","4","1","","Markus Albrecht; Sebastian Mirtschin; Marita de Groot; Ingo Janser; Jan Runsink; Gerhard Raabe; Michael Kogej; Christoph A. Schalley; Roland Fröhlich","Hierarchical Assembly of Helicate-Type Dinuclear Titanium(IV) Complexes","Journal of the American Chemical Society","2005","127","","10371","10387","10.1021/ja052326j","","","0.71073","MoKα","","0.1352","0.0951","","","0.259","0.2901","","","","","","1.023","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111817","14.53","0.001","21.692","0.001","22.298","0.001","90","","108.38","0.01","90","","6669.5","0.7","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H66 Li4 N4 O29 Ti2 -","- C60 H66 Li4 N4 O29 Ti2 -","- C240 H264 Li16 N16 O116 Ti8 -","4","1","","Markus Albrecht; Sebastian Mirtschin; Marita de Groot; Ingo Janser; Jan Runsink; Gerhard Raabe; Michael Kogej; Christoph A. Schalley; Roland Fröhlich","Hierarchical Assembly of Helicate-Type Dinuclear Titanium(IV) Complexes","Journal of the American Chemical Society","2005","127","","10371","10387","10.1021/ja052326j","","","0.71073","MoKα","","0.1379","0.0872","","","0.2291","0.2629","","","","","","1.024","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111818","13.652","0.003","13.717","0.003","14.166","0.003","90","","106.89","0.03","90","","2538.4","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 Al2 N4 O2 -","- C58 H82 Al2 N4 O2 -","- C116 H164 Al4 N8 O4 -","2","0.5","","Hongping Zhu; Jianfang Chai; Vojtech Jancik; Herbert W. Roesky; William A. Merrill; Philip P. Power","The Selective Preparation of an Aluminum Oxide and Its Isomeric C-H-Activated Hydroxide","Journal of the American Chemical Society","2005","127","","10170","10171","10.1021/ja052400y","","","1.54178","CuKα","","0.0364","0.0328","","","0.0851","0.0878","","","","","","1.049","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111819","21.56","0.004","10.457","0.002","40.816","0.008","90","","97.26","0.03","90","","9128","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54.14 H67.65 Al N3 -","- C54.142 H67.648 Al N3 -","- C433.136 H541.184 Al8 N24 -","8","1","","Hongping Zhu; Jianfang Chai; Vojtech Jancik; Herbert W. Roesky; William A. Merrill; Philip P. Power","The Selective Preparation of an Aluminum Oxide and Its Isomeric C-H-Activated Hydroxide","Journal of the American Chemical Society","2005","127","","10170","10171","10.1021/ja052400y","","","1.54178","CuKα","","0.0463","0.0369","","","0.0859","0.091","","","","","","1.023","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111820","22.605","0.004","12.583","0.002","19.132","0.003","90","","102.68","0.02","90","","5309.2","1.6","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C58 H82 Al2 N4 O2 -","- C58 H82 Al2 N4 O2 -","- C232 H328 Al8 N16 O8 -","4","1","","Hongping Zhu; Jianfang Chai; Vojtech Jancik; Herbert W. Roesky; William A. Merrill; Philip P. Power","The Selective Preparation of an Aluminum Oxide and Its Isomeric C-H-Activated Hydroxide","Journal of the American Chemical Society","2005","127","","10170","10171","10.1021/ja052400y","","","1.54178","CuKα","","0.0421","0.0344","","","0.085","0.0895","","","","","","1.025","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111821","10.5012","0.001","13.497","0.0013","22.406","0.002","74.515","0.002","81.705","0.002","87.295","0.002","3028.3","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","Zirconocenechloridedisilenide","","","- C61 H93 Cl Si2 Zr -","- C61 H93 Cl Si2 Zr -","- C122 H186 Cl2 Si4 Zr2 -","2","1","","Thi-loan Nguyen; David Scheschkewitz","Activation of a SiSi Bond by η1-Coordination to a Transition Metal","Journal of the American Chemical Society","2005","127","","10174","10175","10.1021/ja052593p","","","0.71073","MoKα","","0.0491","0.0404","","","0.1116","0.1176","","","","","","1.058","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111822","10.7783","0.0007","13.579","0.0009","19.7407","0.0013","87.651","0.001","78.438","0.001","71.897","0.001","2689.8","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","Zirconocenechloridesilanide","","","- C55 H79 Cl Si2 Zr -","- C55 H79 Cl Si2 Zr -","- C110 H158 Cl2 Si4 Zr2 -","2","1","","Thi-loan Nguyen; David Scheschkewitz","Activation of a SiSi Bond by η1-Coordination to a Transition Metal","Journal of the American Chemical Society","2005","127","","10174","10175","10.1021/ja052593p","","","0.71073","MoKα","","0.0396","0.0361","","","0.0956","0.0988","","","","","","1.043","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111823","9.601","0.002","21.07","0.002","9.898","0.002","90","0.02","90.86","0.02","90","0.02","2002.1","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 O4 S -","- C22 H26 O4 S -","- C88 H104 O16 S4 -","4","2","","Gyochang Keum; Cheol Hee Hwang; Soon Bang Kang; Youseung Kim; Eun Lee","Stereoselective Syntheses of Rolliniastatin 1, Rollimembrin, and Membranacin","Journal of the American Chemical Society","2005","127","","10396","10399","10.1021/ja0526867","","","0.71073","MoKα","","0.0411","0.0403","","","0.1046","0.1054","","","","","","1.051","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111824","9.3921","0.0002","15.6274","0.0003","13.4697","0.0003","90","","100.947","0.001","90","","1941.03","0.07","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H26.727 B10 Cl0.566 I0.707 -","- C10 H26.727 B10 Cl0.566 I0.707 -","- C40 H106.908 B40 Cl2.264 I2.828 -","4","1","","Francesc Teixidor; Gemma Barberà; Albert Vaca; Raikko Kivekäs; Reijo Sillanpää; Josep Oliva; Clara Viñas","Are Methyl Groups Electron-Donating or Electron-Withdrawing in Boron Clusters? Permethylation of o-Carborane","Journal of the American Chemical Society","2005","127","","10158","10159","10.1021/ja052981r","","x-ray","0.71073","Mokα","","0.0306","0.0277","","","0.0661","0.0678","","","","","","1.061","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111825","12.2603","0.0009","13.0163","0.0011","25.6615","0.0018","90","","92.173","0.004","90","","4092.2","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H57 B2 Br0.1 Cl2.9 N3 Rh -","- C43 H57 B2 Br0.1 Cl2.9 N3 Rh -","- C172 H228 B8 Br0.4 Cl11.6 N12 Rh4 -","4","1","","Carsten Präsang; Bruno Donnadieu; Guy Bertrand","Stable Planar Six-π-Electron Six-Membered N-Heterocyclic Carbenes with Tunable Electronic Properties","Journal of the American Chemical Society","2005","127","","10182","10183","10.1021/ja052987g","","","0.71073","MoKα","","0.0387","0.0299","","","0.0739","0.0783","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111826","11.944","0.0006","17.842","0.0009","19.7133","0.0009","103.595","0.001","95.237","0.001","106.397","0.001","3860.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C71.5 H94 B4 Br2 Cl7 N6 -","- C71.5 H94 B4 Br2 Cl7 N6 -","- C143 H188 B8 Br4 Cl14 N12 -","2","1","","Carsten Präsang; Bruno Donnadieu; Guy Bertrand","Stable Planar Six-π-Electron Six-Membered N-Heterocyclic Carbenes with Tunable Electronic Properties","Journal of the American Chemical Society","2005","127","","10182","10183","10.1021/ja052987g","","","0.71073","MoKα","","0.0911","0.0519","","","0.1093","0.119","","","","","","1.025","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111827","13.95","0.0013","19.151","0.0018","22.413","0.002","90","","90","","90","","5987.8","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H43 B2 N3 -","- C34 H43 B2 N3 -","- C272 H344 B16 N24 -","8","1","","Carsten Präsang; Bruno Donnadieu; Guy Bertrand","Stable Planar Six-π-Electron Six-Membered N-Heterocyclic Carbenes with Tunable Electronic Properties","Journal of the American Chemical Society","2005","127","","10182","10183","10.1021/ja052987g","","","0.71073","MoKα","","0.0814","0.0482","","","0.1149","0.1324","","","","","","1.021","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111828","15.825","0.003","8.8911","0.0017","17.766","0.003","90","","99.089","0.004","90","","2468.3","0.8","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 -","- C18 H16 -","- C144 H128 -","8","2","","Takayuki Uto; Tohru Nishinaga; Akira Matsuura; Ryota Inoue; Koichi Komatsu","A Naphthalene with Unusual Bond Alternation Made by Annelation with Bicyclo[2.1.1]hexene Units: Aromaticity and Reactivity","Journal of the American Chemical Society","2005","127","","10162","10163","10.1021/ja053769q","","","0.71073","MoKα","","0.1044","0.0458","","","0.0623","0.0676","","","","","","1.002","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111829","8.537","0.002","8.775","0.002","9.099","0.002","90","","102.517","0.004","90","","665.4","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","1","","Takayuki Uto; Tohru Nishinaga; Akira Matsuura; Ryota Inoue; Koichi Komatsu","A Naphthalene with Unusual Bond Alternation Made by Annelation with Bicyclo[2.1.1]hexene Units: Aromaticity and Reactivity","Journal of the American Chemical Society","2005","127","","10162","10163","10.1021/ja053769q","","","0.71073","MoKα","","0.0394","0.0352","","","0.0823","0.0844","","","","","","1","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111830","15.972","0.002","19.266","0.002","30.169","0.002","90","","91.073","0.003","90","","9281.9","1.6","153.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 Cr6 K2 O75 Si W12 -","- C36 Cr6 K2 O75 Si W12 -","- C144 Cr24 K8 O300 Si4 W48 -","4","0.5","","Ryosuke Kawamoto; Sayaka Uchida; Noritaka Mizuno","Amphiphilic Guest Sorption of K2[Cr3O(OOCC2H5)6(H2O)3]2[α-SiW12O40] Ionic Crystal","Journal of the American Chemical Society","2005","127","","10560","10567","10.1021/ja042333s","","","0.7107","MoKα","","","0.059","","","","0.077","","","","","","1.176","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111831","5.259","0.002","11.954","0.005","11.73","0.004","90","","95.486","0.008","90","","734","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","trans-4-Amino-cyclohexanol","trans-4-Amino-cyclohexanol","","- C6 H13 N O -","- C6 H13 N O -","- C24 H52 N4 O4 -","4","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.1289","0.066","","","0.143","0.1697","","","","","","0.951","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111832","21.609","0.0007","7.4822","0.0002","8.2703","0.0003","90","","90","","90","","1337.17","0.07","120","2","120","2","","","","","","","","4","I b a 2","I 2 -2c","45","2A3MP","2-Amino-3-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C56 H72 N8 O8 -","8","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.035","0.033","","","0.0864","0.0882","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111833","7.5058","0.0015","7.7076","0.0015","22.691","0.005","90","","90","","90","","1312.7","0.5","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2A4MP","2-Amino-4-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C56 H72 N8 O8 -","8","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0419","0.039","","","0.108","0.1112","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111834","8.786","0.0005","9.9708","0.0005","7.87","0.0004","90","","113.966","0.002","90","","630","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2A5MP","2-Amino-5-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0497","0.041","","","0.1086","0.1162","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111835","8.0069","0.0002","8.0094","0.0002","20.3862","0.0005","83.886","0.001","84.719","0.001","89.12","0.001","1294.4","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","2A6MP","2-Amino-6-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C56 H72 N8 O8 -","8","4","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0428","0.0375","","","0.1028","0.108","","","","","","1.036","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111836","6.6782","0.0006","8.1351","0.0007","11.9301","0.001","90","","101.661","0.002","90","","634.76","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3A2MP","3-Amino-2-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0443","0.0384","","","0.1116","0.1164","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111837","7.5998","0.0002","18.386","0.0005","9.9035","0.0003","90","","110.172","0.001","90","","1298.93","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3A4MP","3-Amino-4-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C56 H72 N8 O8 -","8","2","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.05","0.0355","","","0.0925","0.0978","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111838","6.0239","0.0001","15.2605","0.0003","7.4566","0.0002","90","","107.557","0.001","90","","653.54","0.02","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3A5MP","3-Amino-5-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0391","0.0353","","","0.0976","0.1025","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111839","5.599","0.001","7.971","0.002","7.7","0.002","90","","110.02","0.01","90","","322.88","0.13","105","2","105","2","","","","","","","","4","P 1 n 1","P -2yac","7","5A2MP","5-Amino-2-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C14 H18 N2 O2 -","2","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0426","0.0393","","","0.0964","0.0995","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111840","4.4894","0.0001","10.4759","0.0003","14.33","0.0004","90","","93.174","0.001","90","","672.91","0.03","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4A2MP","4-Amino-2-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0454","0.0393","","","0.1121","0.1181","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111841","4.6823","0.0002","11.5155","0.0005","12.0314","0.0005","90","","96.884","0.002","90","","644.04","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4A3MP","4-Amino-3-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0494","0.0387","","","0.0912","0.0969","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111842","12.415","0.002","4.1719","0.0007","15.511","0.003","90","","108.804","0.003","90","","760.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","8A2HNAP","8-Amino-2-naphthol","","- C10 H9 N O -","- C10 H9 N O -","- C40 H36 N4 O4 -","4","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0691","0.0564","","","0.1442","0.1533","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111843","10.2142","0.0006","11.3561","0.0007","23.3692","0.0015","90","","93.139","0.001","90","","2706.6","0.3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H35 B N9 O2 P W -","- C22 H35 B N9 O2 P W -","- C88 H140 B4 N36 O8 P4 W4 -","4","1","","Peter M. Graham; David A. Delafuente; Weijun Liu; William H. Myers; Michal Sabat; W. D. Harman","Facile Diels-Alder Reactions with Pyridines Promoted by Tungsten","Journal of the American Chemical Society","2005","127","","10568","10572","10.1021/ja050143r","","","0.71073","MoKα","","0.0579","0.0406","","","0.0841","0.0892","","","","","","0.966","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111844","8.4866","0.0007","15.1344","0.0012","10.3639","0.0009","90","","94.808","0.002","90","","1326.45","0.19","153","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H32 B N10 O P W -","- C22 H32 B N10 O P W -","- C44 H64 B2 N20 O2 P2 W2 -","2","1","","Peter M. Graham; David A. Delafuente; Weijun Liu; William H. Myers; Michal Sabat; W. D. Harman","Facile Diels-Alder Reactions with Pyridines Promoted by Tungsten","Journal of the American Chemical Society","2005","127","","10568","10572","10.1021/ja050143r","","","0.71073","MoKα","","0.0725","0.0471","","","0.0652","0.0695","","","","","","0.733","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111845","12.3731","0.0015","10.381","0.0013","16.608","0.002","90","","93.254","0.002","90","","2129.8","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H54 N4 O4 -","- C48 H54 N4 O4 -","- C96 H108 N8 O8 -","2","1","","Fan Zhang; Shi Bai; Glenn P. A. Yap; Vinod Tarwade; Joseph M. Fox","Abiotic Metallofoldamers as Electrochemically Responsive Molecules","Journal of the American Chemical Society","2005","127","","10590","10599","10.1021/ja050886c","","","0.71073","MoKα","","0.1597","0.0828","","","0.1979","0.2369","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111846","15.742","0.002","16.419","0.002","23.119","0.003","90","","90","","90","","5975.5","1.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C65 H66 Cl3 N7 Ni O8 -","- C65 H66 Cl3 N7 Ni O8 -","- C260 H264 Cl12 N28 Ni4 O32 -","4","1","","Fan Zhang; Shi Bai; Glenn P. A. Yap; Vinod Tarwade; Joseph M. Fox","Abiotic Metallofoldamers as Electrochemically Responsive Molecules","Journal of the American Chemical Society","2005","127","","10590","10599","10.1021/ja050886c","","","0.71073","MoKα","","0.0721","0.067","","","0.1811","0.1899","","","","","","1.06","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111847","15.745","0.003","15.865","0.003","24.245","0.005","90","","90","","90","","6056","2","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H64 Cl6 Cu N6 O8 -","- C64 H64 Cl6 Cu N6 O8 -","- C256 H256 Cl24 Cu4 N24 O32 -","4","1","","Fan Zhang; Shi Bai; Glenn P. A. Yap; Vinod Tarwade; Joseph M. Fox","Abiotic Metallofoldamers as Electrochemically Responsive Molecules","Journal of the American Chemical Society","2005","127","","10590","10599","10.1021/ja050886c","","","0.71073","MoKα","","0.075","0.0595","","","0.1318","0.1418","","","","","","1.024","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111848","8.3516","0.0019","30.307","0.007","9.825","0.002","90","","92.697","0.004","90","","2484.1","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 N2 O2 -","- C33 H26 N2 O2 -","- C132 H104 N8 O8 -","4","1","","Christoph Lambert; Jürgen Schelter; Torsten Fiebig; Daniela Mank; Anton Trifonov","Photoinduced Charge Transfer Processes along Triarylamine Redox Cascades","Journal of the American Chemical Society","2005","127","","10600","10610","10.1021/ja0511570","","","0.71073","MoKα","","0.0399","0.0366","","","0.0961","0.0984","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111849","15.721","0.005","16.515","0.006","21.159","0.007","84.86","0.03","83.56","0.03","65.71","0.03","4970","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H46 B2 Fe Li2 N4 O4 -","- C28 H46 B2 Fe Li2 N4 O4 -","- C168 H276 B12 Fe6 Li12 N24 O24 -","6","3","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.3584","0.1207","","","0.264","0.3683","","","","","","0.84","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111850","15.584","0.003","32.374","0.004","15.4767","0.0016","90","","90","","90","","7808","2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H56 B2 Fe N4 Na2 O6 -","- C32 H56 B2 Fe N4 Na2 O6 -","- C256 H448 B16 Fe8 N32 Na16 O48 -","8","1","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.1884","0.0737","","","0.1491","0.1917","","","","","","0.84","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111851","9.8339","0.0016","13.083","0.002","16.826","0.003","86.743","0.015","75.024","0.013","71.342","0.013","1980.6","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H56 B2 Fe K2 N4 O6 -","- C32 H56 B2 Fe K2 N4 O6 -","- C64 H112 B4 Fe2 K4 N8 O12 -","2","1","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.1072","0.0529","","","0.1107","0.1263","","","","","","0.829","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111852","9.8596","0.0018","13.136","0.003","17.292","0.004","85.95","0.018","75.063","0.016","69.938","0.015","2032.2","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H56 B2 Fe N4 O6 Rb2 -","- C32 H56 B2 Fe N4 O6 Rb2 -","- C64 H112 B4 Fe2 N8 O12 Rb4 -","2","1","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.1571","0.1057","","","0.2712","0.3005","","","","","","1.084","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111853","9.8708","0.0012","24.313","0.003","17.594","0.002","90","","103.18","0.01","90","","4111.1","0.9","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H56 B2 Cs2 Fe N4 O6 -","- C32 H56 B2 Cs2 Fe N4 O6 -","- C128 H224 B8 Cs8 Fe4 N16 O24 -","4","0.5","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.0692","0.0345","","","0.0582","0.0638","","","","","","0.815","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111854","20.637","0.0016","11.5631","0.0007","16.2548","0.001","90","","90","","90","","3878.8","0.5","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C36 H58 B2 Fe N4 Na2 O4 -","- C36 H58 B2 Fe N4 Na2 O4 -","- C144 H232 B8 Fe4 N16 Na8 O16 -","4","0.5","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.0674","0.0484","","","0.1333","0.1417","","","","","","1.031","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111855","11.0876","0.0019","14.624","0.003","12.7422","0.0018","90","","99.159","0.013","90","","2039.7","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 B2 Fe K2 N4 O4 -","- C36 H58 B2 Fe K2 N4 O4 -","- C72 H116 B4 Fe2 K4 N8 O8 -","2","0.5","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.1495","0.0524","","","0.0738","0.0886","","","","","","0.797","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111856","11.309","0.003","15.248","0.005","12.259","0.004","90","","96.13","0.03","90","","2101.9","1.1","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 B2 Fe N4 O4 Rb2 -","- C36 H58 B2 Fe N4 O4 Rb2 -","- C72 H116 B4 Fe2 N8 O8 Rb4 -","2","0.5","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.2266","0.0978","","","0.1932","0.2475","","","","","","0.965","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111857","6.67","0.01","10.45","0.03","14.72","0.02","102.1","0.2","94","0.3","105.3","0.1","959","4","93.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H19 B Br Cl F8 -","- C17 B Br Cl F8 -","- C34 B2 Br2 Cl2 F16 -","2","1","","Masahito Ochiai; Yoshio Nishi; Takeshi Mori; Norihiro Tada; Takashi Suefuji; Hermann J. Frohn","Synthesis and Characterization of β-Haloalkenyl-λ3-bromanes: Stereoselective Markovnikov Addition of Difluoro(aryl)-λ3-bromane to Terminal Acetylenes","Journal of the American Chemical Society","2005","127","","10460","10461","10.1021/ja051690f","","","0.7107","MoKα","","","0.055","","","","0.121","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111858","11.171","0.004","25.098","0.009","3.8852","0.0013","90","","90","","90","","1089.3","0.7","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","H-T5-H","","","- C12 H4 S5 -","- C12 H4 S5 -","- C48 H16 S20 -","4","0.5","","Xinnan Zhang; Adrien P. Côté; Adam J. Matzger","Synthesis and Structure of Fused α-Oligothiophenes with up to Seven Rings","Journal of the American Chemical Society","2005","127","","10502","10503","10.1021/ja053326m","","","0.71073","MoKα","","0.1344","0.1033","","","0.223","0.2358","","","","","","1.142","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111859","16.2367","0.0015","16.2367","0.0015","13.041","0.0017","90","","90","","90","","3438","0.6","153","2","153","2","","","","","","","","4","P -4 21 c","P -4 2n","114","TIPS-T5-TIPS","","","- C30 H44 S5 Si2 -","- C30 H44 S5 Si2 -","- C120 H176 S20 Si8 -","4","0.5","","Xinnan Zhang; Adrien P. Côté; Adam J. Matzger","Synthesis and Structure of Fused α-Oligothiophenes with up to Seven Rings","Journal of the American Chemical Society","2005","127","","10502","10503","10.1021/ja053326m","","","0.71073","MoKα","","0.0589","0.0483","","","0.1092","0.119","","","","","","1.037","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111860","17.9934","0.0016","29.79","0.003","13.4276","0.0012","90","","90","","90","","7197.5","1.2","153","2","153","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","TIPS-T7-TIPS","","","- C34 H44 S7 Si2 -","- C34 H44 S7 Si2 -","- C272 H352 S56 Si16 -","8","1","","Xinnan Zhang; Adrien P. Côté; Adam J. Matzger","Synthesis and Structure of Fused α-Oligothiophenes with up to Seven Rings","Journal of the American Chemical Society","2005","127","","10502","10503","10.1021/ja053326m","","","0.71073","MoKα","","0.0529","0.0366","","","0.0823","0.0953","","","","","","1.01","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111861","7.5263","0.0011","12.0867","0.0011","16.312","0.002","90","","90","","90","","1483.9","0.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O3 S2 -","- C14 H17 N O3 S2 -","- C56 H68 N4 O12 S8 -","4","1","","Evans, David A.; Thomson, Regan J.","Ni(II) Tol-BINAP-Catalyzed Enantioselective Orthoester Alkylations of N-Acylthiazolidinethiones","Journal of the American Chemical Society","2005","127","30","10506","10507","10.1021/ja053386s","","","0.71073","MoKα","","0.0287","0.0282","","","0.0656","0.0659","","","","","","1.189","","","","has coordinates","219220","2020-10-21","18:00:00",""
"4111862","12.642","0.002","11.274","0.002","13.052","0.004","90","","104.26","0.02","90","","1802.9","0.7","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H51 N3 O4 Si -","- C35 H37 N3 O4 Si -","- C70 H74 N6 O8 Si2 -","2","1","","Christiane Marti; Erick M. Carreira","Total Synthesis of (-)-Spirotryprostatin B: Synthesis and Related Studies","Journal of the American Chemical Society","2005","127","","11505","11515","10.1021/ja0518880","","","1.5418","CuKα","","0.0598","0.0564","","","0.1601","0.1683","","","","","","1.055","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111863","8.935","0.001","13.87","0.002","25.228","0.007","90","","90","","90","","3126.5","1","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Cl3 N3 O6 -","- C28 H36 Cl3 N3 O6 -","- C112 H144 Cl12 N12 O24 -","4","1","","Christiane Marti; Erick M. Carreira","Total Synthesis of (-)-Spirotryprostatin B: Synthesis and Related Studies","Journal of the American Chemical Society","2005","127","","11505","11515","10.1021/ja0518880","","","1.5418","CuKα","","0.0685","0.0608","","","0.1778","0.1902","","","","","","1.061","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111864","35.9775","0.0016","14.273","0.0006","11.9582","0.0005","90","","90","","90","","6140.6","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","4(Et4N+)8[C(NH2)3+]3[(CO3)2-]3[(C2O4)2-]2(H2O)","","- C44 H124 N16 O28 -","- C29 H50 N26 O19 -","- C116 H200 N104 O76 -","4","0.5","","Chi-Keung Lam; Feng Xue; Jie-Peng Zhang; Xiao-Ming Chen; Thomas C. W. Mak","Hydrogen-Bonded Anionic Rosette Networks Assembled with Guanidinium and C3-Symmetric Oxoanion Building Blocks","Journal of the American Chemical Society","2005","127","","11536","11537","10.1021/ja050221a","","","0.71073","MoKα","","0.141","0.1013","","","0.2789","0.2935","","","","","","1.939","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111865","12.0977","0.0009","20.9279","0.0015","14.5969","0.001","90","","90","","90","","3695.6","0.5","123","","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2(Et4N+)[C(NH2)3+][1,3,5-C6H3(COO-)3]6(H2O)","","- C26 H60 N5 O12 -","- C26 H60 N5 O12 -","- C104 H240 N20 O48 -","4","0.5","","Chi-Keung Lam; Feng Xue; Jie-Peng Zhang; Xiao-Ming Chen; Thomas C. W. Mak","Hydrogen-Bonded Anionic Rosette Networks Assembled with Guanidinium and C3-Symmetric Oxoanion Building Blocks","Journal of the American Chemical Society","2005","127","","11536","11537","10.1021/ja050221a","","","0.71073","MoKα","","0.0543","0.0465","","","0.1257","0.1316","","","","","","1.069","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111866","7.6184","0.0006","9.5951","0.0007","17.0181","0.0009","90","","90","","90","","1244.01","0.15","293","2","293","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C9 H8 -","- C9 H8 -","- C72 H64 -","8","1","","Emilio Bustelo; Carine Guérot; Alain Hercouet; Bertrand Carboni; Loïc Toupet; Pierre H. Dixneuf","An Opened Route to 1,3-Dimethylenecyclobutanes via Sequential Ruthenium-Catalyzed [2 + 2] Cycloaddition of Allenyl Boronate and Palladium Suzuki Coupling","Journal of the American Chemical Society","2005","127","","11582","11583","10.1021/ja051930r","","","0.71069","MoKα","","0.1106","0.0671","","","0.1599","0.1953","","","","","","1.071","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111867","14.7776","0.0016","14.7849","0.0015","15.1131","0.0017","91.286","0.013","118.886","0.011","118.21","0.011","2409.4","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(EDT-TTF-CONH2)6 (RE6Se8(CN)6)","","","- C60 H22 N12 O6 Re6 S36 Se8 -","- C60 H22 N12 O6 Re6 S36 Se8 -","- C60 H22 N12 O6 Re6 S36 Se8 -","1","0.5","","Stéphane A. Baudron; Patrick Batail; Claude Coulon; Rodolphe Clérac; Enric Canadell; Vladimir Laukhin; Roberto Melzi; Pawel Wzietek; Denis Jérome; Pascale Auban-Senzier; Sylvain Ravy","(EDT-TTF-CONH2)6[Re6Se8(CN)6], a Metallic Kagome-Type Organic-Inorganic Hybrid Compound: Electronic Instability, Molecular Motion, and Charge Localization","Journal of the American Chemical Society","2005","127","","11785","11797","10.1021/ja0523385","","","0.71073","MoKα","","0.1295","0.0951","","","0.2425","0.2616","","","","","","0.974","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111868","15.0192","0.0017","15.0192","0.0017","15.0192","0.0017","61.465","0.017","61.465","0.017","61.465","0.017","2474.5","0.7","293","2","293","2","","","","","","","","7","R -3 :R","-P 3*","148","(EDT-TTF-CONH2)6 (RE6Se8(CN)6)","","","- C60 H18 N12 O6 Re6 S36 Se8 -","- C60 H18 N12 O6 Re6 S36 Se8 -","- C60 H18 N12 O6 Re6 S36 Se8 -","1","0.166667","","Stéphane A. Baudron; Patrick Batail; Claude Coulon; Rodolphe Clérac; Enric Canadell; Vladimir Laukhin; Roberto Melzi; Pawel Wzietek; Denis Jérome; Pascale Auban-Senzier; Sylvain Ravy","(EDT-TTF-CONH2)6[Re6Se8(CN)6], a Metallic Kagome-Type Organic-Inorganic Hybrid Compound: Electronic Instability, Molecular Motion, and Charge Localization","Journal of the American Chemical Society","2005","127","","11785","11797","10.1021/ja0523385","","","0.71073","MoKα","","0.0407","0.029","","","0.0661","0.0695","","","","","","0.994","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111869","21.715","0.006","19.196","0.006","28.62","0.007","90","","94.851","0.017","90","","11887","6","157","2","157","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C216 H156 F24 N20 O28 S8 Zn4 -","- C240 H92 F6 N20 O40 S4.8 Zn4 -","- C480 H184 F12 N40 O80 S9.6 Zn8 -","2","0.5","","Michael Schmittel; Venkateshwarlu Kalsani; Ravuri S. K. Kishore; Helmut Cölfen; Jan W. Bats","Dynamic and Fluorescent Nanoscale Phenanthroline/Terpyridine Zinc(II) Ladders. Self-Recognition in Unlike Ligand/Like Metal Coordination Scenarios","Journal of the American Chemical Society","2005","127","","11544","11545","10.1021/ja0525096","","","0.71073","MoKα","","0.3733","0.2315","","","0.3967","0.4456","","","","","","1.638","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111870","9.9387","0.0003","8.7443","0.0002","12.2164","0.0003","90","","96.192","0.003","90","","1055.5","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H31 F6 Fe N7 O2 P -","- C15 H31 F6 Fe N7 O2 P -","- C30 H62 F12 Fe2 N14 O4 P2 -","2","0.5","","John F. Berry; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt","Octahedral Non-Heme Non-Oxo Fe(IV) Species Stabilized by a Redox-Innocent N-Methylated Cyclam-Acetate Ligand","Journal of the American Chemical Society","2005","127","","11550","11551","10.1021/ja052673t","","","0.71073","MoKα","","0.0435","0.0417","","","0.0942","0.095","","","","","","1.168","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111871","15.7641","0.0008","15.7641","0.0008","35.775","0.002","90","","90","","120","","7699.3","0.7","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C145 H151 Cl3 I6 O36 Sn6 -","- C145 H139 Cl3 I6 O36 Sn6 -","- C290 H278 Cl6 I12 O72 Sn12 -","2","0.166667","","Vadapalli Chandrasekhar; Pakkirisamy Thilagar; James F. Bickley; Alexander Steiner","Alternating Hydrophilic and Hydrophobic Pockets in the Channel Structures of Organostannoxane Prismanes: Preferential Confinement of Guest Molecules","Journal of the American Chemical Society","2005","127","","11556","11557","10.1021/ja052776b","","","0.71073","MoKα","","0.039","0.0337","","","0.0793","0.0819","","","","","","1.071","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111872","16.387","0.003","17.701","0.003","22.903","0.004","86.44","0.02","88.2","0.02","64.628","0.017","5991","2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C109 H112 Cl3 O27 Sn6 -","- C109 H109 Cl3 O27 Sn6 -","- C218 H218 Cl6 O54 Sn12 -","2","1","","Vadapalli Chandrasekhar; Pakkirisamy Thilagar; James F. Bickley; Alexander Steiner","Alternating Hydrophilic and Hydrophobic Pockets in the Channel Structures of Organostannoxane Prismanes: Preferential Confinement of Guest Molecules","Journal of the American Chemical Society","2005","127","","11556","11557","10.1021/ja052776b","","","0.71073","MoKα","","0.0897","0.0487","","","0.1197","0.1314","","","","","","0.865","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111873","10.256","0.003","11.65","0.004","14.419","0.005","108.008","0.005","100.887","0.006","100.453","0.006","1555","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H45 Fe K N7 O3 -","- C26 H45 Fe K N7 O3 -","- C52 H90 Fe2 K2 N14 O6 -","2","1","","Robie L. Lucas; Douglas R. Powell; A. S. Borovik","Preparation of Iron Amido Complexes via Putative Fe(IV) Imido Intermediates","Journal of the American Chemical Society","2005","127","","11596","11597","10.1021/ja052952g","","","0.71073","MoKα","","0.1066","0.0642","","","0.1672","0.1904","","","","","","1.041","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111874","14.218","0.0002","25.1883","0.0004","22.2129","0.0004","90","","91.9957","0.0007","90","","7950.2","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H65 Au2 Cl2 O11.5 Sb6 -","- C74 H65 Au2 Cl2 O11.5 Sb6 -","- C296 H260 Au8 Cl8 O46 Sb24 -","4","0.5","","Vilma R. Bojan; Eduardo J. Fernández; Antonio Laguna; José M. López-de-Luzuriaga; Miguel Monge; M. Elena Olmos; Cristian Silvestru","Phosphorescent Excited State of [Au2{(Ph2Sb)2O}3]2+: Jahn-Teller Distortion at Only One Gold(I) Center","Journal of the American Chemical Society","2005","127","","11564","11565","10.1021/ja053237+","","","0.71073","MoKα","","0.0693","0.0391","","","0.0806","0.0909","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111875","9.2149","0.0003","12.9485","0.0005","14.3796","0.0006","107.645","0.002","93.624","0.002","95.851","0.002","1618.49","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 Co N2 O2 -","- C36 H46 Co N2 O2 -","- C72 H92 Co2 N4 O4 -","2","1","","Kathryn L. Peretti; Hiroharu Ajiro; Claire T. Cohen; Emil B. Lobkovsky; Geoffrey W. Coates","A Highly Active, Isospecific Cobalt Catalyst for Propylene Oxide Polymerization","Journal of the American Chemical Society","2005","127","","11566","11567","10.1021/ja053451y","","","0.71073","MoKα","","0.0418","0.0326","","","0.0945","0.0994","","","","","","1.036","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111876","15.765","0.012","16.535","0.01","26.9","0.02","74.22","0.03","82.32","0.03","75.39","0.03","6514","8","150","2","150","2","","","","","","","synthesis","4","P 1","P 1","1","Boc-[(R,R)-Ab5,6=c]6-OEt","Ethyl 8-{{8-{{8-{{8-{{8-{[(1R,6R)-8-(tert-Butoxycarbonylamino) bicyclo[4.3.0]non-3-en-8-yl]carbonylamino}-(1R,6R)-bicyclo[4.3.0]non- 3-en-8-yl}carbonylamino}-(1R,6R)-bicyclo[4.3.0]non-3-en-8-yl}- carbonylamino}-(1R,6R)-bicyclo[4.3.0]non-3-en-8-yl}carbonylamino}- (1R,6R)-bicyclo[4.3.0]non-3-en-8-yl}carbonylamino}- (1R,6R)-bicyclo[4.3.0]non-3-en-8-carboxylate","","- C68 H95 N6 O9.5 -","- C68 H95 N6 O9.5 -","- C272 H380 N24 O38 -","4","4","","Masakazu Tanaka; Kosuke Anan; Yosuke Demizu; Masaaki Kurihara; Mitsunobu Doi; Hiroshi Suemune","Side-Chain Chiral Centers of Amino Acid and Helical-Screw Handedness of Its Peptides","Journal of the American Chemical Society","2005","127","","11570","11571","10.1021/ja053842c","","","0.71075","MoKα","","0.1037","0.0589","","","0.1373","0.1552","","","","","","0.885","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111877","13.601","0.002","8.96","0.002","12.787","0.003","90","","128.16","0.01","90","","1225.3","0.5","298.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Takehiko Yoshimitsu; Yoshimasa Arano; Hiroto Nagaoka","Radical Hydroxyalkylation of C-H Bond Adjacent to Nitrogen of Tertiary Amides, Ureas, and Amines","Journal of the American Chemical Society","2005","127","","11610","11611","10.1021/ja053855q","","","1.5418","CuKα","","","0.0541","","","","0.2172","","","","","","1.797","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111878","31.097","0.008","8.381","0.003","7.193","0.002","90","","92.05","0.02","90","","1873.5","1","291.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Br N O5 -","- C20 H18 Br N O5 -","- C80 H72 Br4 N4 O20 -","4","1","","Takehiko Yoshimitsu; Yoshimasa Arano; Hiroto Nagaoka","Radical Hydroxyalkylation of C-H Bond Adjacent to Nitrogen of Tertiary Amides, Ureas, and Amines","Journal of the American Chemical Society","2005","127","","11610","11611","10.1021/ja053855q","","","1.5418","CuKα","","","0.04","","","","0.1762","","","","","","1.54","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111879","13.389","0.002","20.618","0.004","9.686","0.002","90","","90","","90","","2673.9","0.9","297.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C104 H144 N16 O24 -","8","1","","Takehiko Yoshimitsu; Yoshimasa Arano; Hiroto Nagaoka","Radical Hydroxyalkylation of C-H Bond Adjacent to Nitrogen of Tertiary Amides, Ureas, and Amines","Journal of the American Chemical Society","2005","127","","11610","11611","10.1021/ja053855q","","","1.5418","CuKα","","","0.0448","","","","0.1658","","","","","","1.81","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111880","17.896","0.003","10.093","0.001","16.581","0.004","90","","152.84","0.01","90","","1367.1","0.6","291.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","1","","Takehiko Yoshimitsu; Yoshimasa Arano; Hiroto Nagaoka","Radical Hydroxyalkylation of C-H Bond Adjacent to Nitrogen of Tertiary Amides, Ureas, and Amines","Journal of the American Chemical Society","2005","127","","11610","11611","10.1021/ja053855q","","","1.5418","CuKα","","","0.0437","","","","0.137","","","","","","1.294","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111881","16.783","0.003","10.627","0.002","6.604","0.001","90","","100.83","0.01","90","","1156.9","0.3","291.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","","Takehiko Yoshimitsu; Yoshimasa Arano; Hiroto Nagaoka","Radical Hydroxyalkylation of C-H Bond Adjacent to Nitrogen of Tertiary Amides, Ureas, and Amines","Journal of the American Chemical Society","2005","127","","11610","11611","10.1021/ja053855q","","","1.5418","CuKα","","","0.0416","","","","0.1401","","","","","","1.827","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111882","9.5286","0.0019","10.633","0.002","17.145","0.003","96.04","0.03","93.62","0.03","105.2","0.03","1659.5","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H55 N P3 Rh -","- C31 H55 N P3 Rh -","- C62 H110 N2 P6 Rh2 -","2","1","","Pinjing Zhao; John F. Hartwig","β-Aryl Eliminations from Rh(I) Iminyl Complexes","Journal of the American Chemical Society","2005","127","","11618","11619","10.1021/ja054132+","","","0.71073","MoKα","","0.0471","0.0339","","","0.0812","0.0859","","","","","","1.03","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111883","14.6961","0.0006","12.7908","0.0005","12.4795","0.0004","90","","103.734","0.002","90","","2278.76","0.15","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Cl2 N O Ti -","- C25 H29 Cl2 N O Ti -","- C100 H116 Cl8 N4 O4 Ti4 -","4","1","","Andreas Gansäuer; Dieter Franke; Thorsten Lauterbach; Martin Nieger","A Modular and Efficient Synthesis of Functional Titanocenes","Journal of the American Chemical Society","2005","127","","11622","11623","10.1021/ja054185r","","","0.71073","MoKα","","0.103","0.0482","","","0.089","0.0999","","","","","","0.908","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111884","19.9954","0.0007","13.9007","0.0006","19.1105","0.0009","90","","105.406","0.002","90","","5120.9","0.4","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H32 Cl5 N O Ti -","- C22.5 H32 Cl5 N O Ti -","- C180 H256 Cl40 N8 O8 Ti8 -","8","1","","Andreas Gansäuer; Dieter Franke; Thorsten Lauterbach; Martin Nieger","A Modular and Efficient Synthesis of Functional Titanocenes","Journal of the American Chemical Society","2005","127","","11622","11623","10.1021/ja054185r","","","0.71073","MoKα","","0.0917","0.075","","","0.1823","0.189","","","","","","1.135","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111885","13.3012","0.0006","12.9164","0.0006","12.5231","0.0005","90","","107.087","0.002","90","","2056.55","0.16","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cl2 N O Ti -","- C22 H25 Cl2 N O Ti -","- C88 H100 Cl8 N4 O4 Ti4 -","4","1","","Andreas Gansäuer; Dieter Franke; Thorsten Lauterbach; Martin Nieger","A Modular and Efficient Synthesis of Functional Titanocenes","Journal of the American Chemical Society","2005","127","","11622","11623","10.1021/ja054185r","","","0.71073","MoKα","","0.1143","0.043","","","0.061","0.0711","","","","","","0.794","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111886","12.456","0.0003","11.256","0.0003","16.0987","0.0004","90","","95.488","0.002","90","","2246.77","0.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 Cl4 N O3 Ti -","- C19 H25 Cl4 N O3 Ti -","- C76 H100 Cl16 N4 O12 Ti4 -","4","1","","Andreas Gansäuer; Dieter Franke; Thorsten Lauterbach; Martin Nieger","A Modular and Efficient Synthesis of Functional Titanocenes","Journal of the American Chemical Society","2005","127","","11622","11623","10.1021/ja054185r","","","0.71073","MoKα","","0.0473","0.0307","","","0.0658","0.07","","","","","","0.958","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111887","16.642","0.001","16.6424","","7.724","0.002","90","","90","","120","","1852.7","0.5","296.2","","","","","","","","","","","2","R 3 c :H","R 3 -2""c","161","","","","- C21 H12 -","- C21 H12 -","- C126 H72 -","6","0.333333","","Hidehiro Sakurai; Taro Daiko; Hiroyuki Sakane; Toru Amaya; Toshikazu Hirao","Structural Elucidation of Sumanene and Generation of Its Benzylic Anions","Journal of the American Chemical Society","2005","127","","11580","11581","10.1021/ja0518169","","","0.7107","MoKα","","","0.0698","","","","0.1241","","","","","","1.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111888","48.344","0.0007","48.344","0.0007","48.344","0.0007","90","","90","","90","","112987","3","293","2","293","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","MOL-1CdS-TMA","","","- C304 H296 Cd54 N4 O4 S80 -","- C288 Cd54 O4 S80 -","- C2304 Cd432 O32 S640 -","8","0.0833333","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.1561","0.0739","","","0.2362","0.2992","","","","","","1.048","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111889","48.248","0.003","48.248","0.003","48.248","0.003","90","","90","","90","","112315","12","293","2","293","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","MOL-1CdS-TPhP","","","- C384 H328 Cd54 O4 P4 S48 Se32 -","- C288 Cd54 O4 P9.6 S80 -","- C2304 Cd432 O32 P76.8 S640 -","8","0.0833333","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.2041","0.1034","","","0.3496","0.4042","","","","","","1.796","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111890","24.0656","0.0007","24.0656","0.0007","24.0656","0.0007","90","","90","","90","","13937.7","0.7","293","2","293","2","","","","","","","","7","P 2 3","P 2 2 3","195","MOL-1CdSeS-TPhP","","","- C384 H328 Cd54 O4 P4 S48 Se32 -","- C65.28 Cd54 O4 S48 Se32 -","- C65.28 Cd54 O4 S48 Se32 -","1","0.0833333","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.2104","0.0865","","","0.2974","0.4035","","","","","","1.23","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111891","37.475","0.008","26.482","0.006","34.504","0.007","90","","99.123","0.008","90","","33809","13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MOL-2CdS-TPhP","","","- C336 H280 Cd32 P4 S54 -","- C259 Cd32 P2 S54 -","- C1036 Cd128 P8 S216 -","4","1","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.1532","0.1035","","","0.2895","0.3253","","","","","","1.03","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111892","19.172","0.003","19.172","0.003","45.758","0.009","90","","90","","120","","14566","4","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","MOL-3CdS","","","- C158 H138 Cd17 N4 S32 -","- C158 Cd17 N4 S32 -","- C474 Cd51 N12 S96 -","3","0.5","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.1358","0.0931","","","0.2766","0.2982","","","","","","1.013","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111893","26.8981","0.0017","26.8981","0.0017","87.805","0.011","90","","90","","120","","55017","8","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C158 H138 Cd17 N4 S6 Se26 -","- C144 Cd17 S5 Se27 -","- C1728 Cd204 S60 Se324 -","12","0.333333","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.1399","0.0813","","","0.2079","0.2387","","","","","","0.987","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111894","11.9597","0.0011","17.5129","0.0015","12.4578","0.0011","90","","99.797","0.002","90","","2571.2","0.4","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","digermene","","","- C60 H76 Ge2 -","- C60 H76 Ge2 -","- C120 H152 Ge4 -","2","0.5","","Geoffrey H. Spikes; James C. Fettinger; Philip P. Power","Facile Activation of Dihydrogen by an Unsaturated Heavier Main Group Compound","Journal of the American Chemical Society","2005","127","","12232","12233","10.1021/ja053247a","","","0.71073","MoKα","","0.0324","0.0297","","","0.0783","0.0797","","","","","","1.062","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111895","16.3425","0.0011","45.579","0.003","21.2946","0.0014","90","","90","","90","","15861.8","1.8","90","2","90","2","","","","","","","","3","P n a 21","P 2c -2n","33","digermane","","","- C60 H78 Ge2 -","- C60 H78 Ge2 -","- C720 H936 Ge24 -","12","3","","Geoffrey H. Spikes; James C. Fettinger; Philip P. Power","Facile Activation of Dihydrogen by an Unsaturated Heavier Main Group Compound","Journal of the American Chemical Society","2005","127","","12232","12233","10.1021/ja053247a","","","0.71073","MoKα","","0.0714","0.0622","","","0.1462","0.1501","","","","","","1.097","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111896","10.9571","0.0001","10.3401","0.0002","18.1895","0.0003","90","","95.2323","0.001","90","","2052.24","0.06","200","","200","","","","","","","","?","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N3 O6 -","- C23 H25 N3 O6 -","- C92 H100 N12 O24 -","4","1","","Alan D. Payne; Anthony C. Willis; Michael S. Sherburn","Practical Synthesis and Diels-Alder Chemistry of [4]Dendralene","Journal of the American Chemical Society","2005","127","","12188","12189","10.1021/ja053772+","","","0.71073","MoKα","","0.0548","0.0324","","0.0528","0.0382","0.0382","","","","","","1.0484","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111897","25.86","0.003","16.0807","0.0019","11.734","0.0014","90","","101.444","0.002","90","","4782.5","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 N2 O2 Si0.5 -","- C30 H30 N2 O2 Si0.5 -","- C240 H240 N16 O16 Si4 -","8","1","","Julie A. Cissell; Thomas P. Vaid; Arnold L. Rheingold","An Antiaromatic Porphyrin Complex: Tetraphenylporphyrinato(silicon)(L)2 (L = THF or Pyridine)","Journal of the American Chemical Society","2005","127","","12212","12213","10.1021/ja0544713","","","0.71073","MoKα","","0.091","0.0658","","","0.1551","0.1693","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111898","9.908","0.001","20.608","0.003","15.713","0.002","90","","96.022","0.002","90","","3190.6","0.7","153.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Cl2 F9 O10 Pt2 S3 -","- C20 H27 Cl2 F9 O10 Pt2 S3 -","- C80 H108 Cl8 F36 O40 Pt8 S12 -","4","1","","Dmitry Karshtedt; Alexis T. Bell; T. Don Tilley","Platinum-Based Catalysts for the Hydroamination of Olefins with Sulfonamides and Weakly Basic Anilines","Journal of the American Chemical Society","2005","127","","12640","12646","10.1021/ja052836d","","","0.7107","MoKα","","0.0647","0.0402","","0.0518","","0.0454","","","","","","1.383","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111899","12.35","0.0009","12.35","0.0009","29.748","0.003","90","","90","","90","","4537.2","0.7","170","2","170","2","","","","","","","","5","P 43","P 4cw","78","gammma-TBC3_Br_TCE2","","","- C28 H30 Br Cl6 S16 -","- C28 H30 Br Cl6 S16 -","- C112 H120 Br4 Cl24 S64 -","4","1","","Michio M. Matsushita; Tadashi Sugawara","Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt","Journal of the American Chemical Society","2005","127","","12450","12451","10.1021/ja053488i","","","0.71073","MoKα","","0.0558","0.0497","","","0.141","0.1478","","","","","","1.038","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111900","15.598","0.0011","15.598","0.0011","27.063","0.004","90","","90","","90","","6584.4","1.2","100","2","100","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","Tetrakis(N,N'-di(3,5-diclorophenyl)formamidinato) chloro diruthenium(II,III) 0.5water hexanes solvate","","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C232 H172 Cl68 N32 O2 Ru8 -","4","0.25","","Wei-Zhong Chen; F. Albert Cotton; Naresh S. Dalal; Carlos A. Murillo; Chris M. Ramsey; Tong Ren; Xiaoping Wang","Proof of Large Positive Zero-Field Splitting in a Ru25+ Paddlewheel","Journal of the American Chemical Society","2005","127","","12691","12696","10.1021/ja053615a","","","0.71073","MoKα","","0.0797","0.0706","","","0.1876","0.1959","","","","","","1.145","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111901","13.363","0.003","24.152","0.005","8.2202","0.0016","90","","90","","90","","2653","1","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C18 H35 F3 Fe N6 O3 S2 -","- C18 H35 F3 Fe N6 O3 S2 -","- C72 H140 F12 Fe4 N24 O12 S8 -","4","1","","Chivukula V. Sastri; Mi Joo Park; Takehiro Ohta; Timothy A. Jackson; Audria Stubna; Mi Sook Seo; Jimin Lee; Jinheung Kim; Teizo Kitagawa; Eckard Münck; Lawrence Que; Wonwoo Nam","Axial Ligand Substituted Nonheme FeIVO Complexes: Observation of Near-UV LMCT Bands and FeO Raman Vibrations","Journal of the American Chemical Society","2005","127","","12494","12495","10.1021/ja0540573","","","0.71073","MoKα","","0.0788","0.0526","","","0.1395","0.1538","","","","","","1.01","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111902","15.722","0.007","17.056","0.004","17.622","0.007","79.99","0.02","64.28","0.01","72.74","0.02","4060","3","123.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C104 H47 F15 N6 -","- C104 H47 F15 N6 -","- C208 H94 F30 N12 -","2","1","","Tae Kyu Ahn; Jung Ho Kwon; Deok Yun Kim; Dae Won Cho; Dae Hong Jeong; Seong Keun Kim; Masaaki Suzuki; Soji Shimizu; Atsuhiro Osuka; Dongho Kim","Comparative Photophysics of [26]- and [28]Hexaphyrins(1.1.1.1.1.1): Large Two-Photon Absorption Cross Section of Aromatic [26]Hexaphyrins(1.1.1.1.1.1)","Journal of the American Chemical Society","2005","127","","12856","12861","10.1021/ja050895l","","","0.7107","MoKα","","","0.085","","","","0.115","","","","","","2.2","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111903","14.55","0.02","11.59","0.02","20.13","0.02","90","","90.92","0.05","90","","3394","8","123.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 N6 -","- C84 H80 N6 -","- C168 H160 N12 -","2","0.5","","Tae Kyu Ahn; Jung Ho Kwon; Deok Yun Kim; Dae Won Cho; Dae Hong Jeong; Seong Keun Kim; Masaaki Suzuki; Soji Shimizu; Atsuhiro Osuka; Dongho Kim","Comparative Photophysics of [26]- and [28]Hexaphyrins(1.1.1.1.1.1): Large Two-Photon Absorption Cross Section of Aromatic [26]Hexaphyrins(1.1.1.1.1.1)","Journal of the American Chemical Society","2005","127","","12856","12861","10.1021/ja050895l","","","0.7107","MoKα","","","0.08","","","","0.274","","","","","","1.301","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111904","20.2656","0.0012","20.2656","0.0012","33.203","0.004","90","","90","","120","","11809.4","1.7","118","2","118","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C152 H165 Cl Mn26 N24 O69 -","- C148.5 H153.03 Cl Mn26 N24 O63.5 -","- C297 H306.06 Cl2 Mn52 N48 O127 -","2","0.333333","","Curtis M. Zaleski; Ezra C. Depperman; Catherine Dendrinou-Samara; Maria Alexiou; Jeff W. Kampf; Dimitris P. Kessissoglou; Martin L. Kirk; Vincent L. Pecoraro","Metallacryptate Single-Molecule Magnets: Effect of Lower Molecular Symmetry on Blocking Temperature","Journal of the American Chemical Society","2005","127","","12862","12872","10.1021/ja050951i","","","0.71073","MoKα","","0.0361","0.0329","","","0.0976","0.0994","","","","","","1.078","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111905","8.2042","0.0003","15.1998","0.0006","23.334","0.0009","90","","90","","90","","2909.8","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 N O3 S2 -","- C35 H33 N O3 S2 -","- C140 H132 N4 O12 S8 -","4","1","","José Luis García Ruano; José Alemán; Alejandro Parra","Highly Stereoselective Benzylation of N-Sulfinylketimines","Journal of the American Chemical Society","2005","127","","13048","13054","10.1021/ja0515203","","","1.54178","CuKα","","0.059","0.0408","","","0.0825","0.0898","","","","","","1.011","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111906","7.3349","0.0001","18.7236","0.0001","20.2187","0.0002","90","","90","","90","","2776.75","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 N O3 S2 -","- C31 H33 N O3 S2 -","- C124 H132 N4 O12 S8 -","4","1","","José Luis García Ruano; José Alemán; Alejandro Parra","Highly Stereoselective Benzylation of N-Sulfinylketimines","Journal of the American Chemical Society","2005","127","","13048","13054","10.1021/ja0515203","","","1.54178","CuKα","","0.0278","0.0267","","","0.0697","0.0707","","","","","","1.051","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111907","29.457","0.005","29.457","0.005","54.236","0.02","90","","90","","120","","40756","18","258","2","258","2","","","","","","","","6","R -3 :H","-R 3","148","MOP-28","Copper(II) Terthiophenedicarboxylate","","- C198 H72 Cu12 N6 O60 S36 -","- C198 H72 Cu12 N6 O60 S36 -","- C594 H216 Cu36 N18 O180 S108 -","3","0.166667","","Zheng Ni; Abderrahim Yassar; Tarek Antoun; Omar M. Yaghi","Porous Metal-Organic Truncated Octahedron Constructed from Paddle-Wheel Squares and Terthiophene Links","Journal of the American Chemical Society","2005","127","","12752","12753","10.1021/ja052055c","","","0.71073","MoKα","","0.0694","0.043","","","0.0947","0.0986","","","","","","1.004","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111908","15.082","0.003","31.922","0.006","22.305","0.005","90","","104.11","0.03","90","","10415","4","110","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ni4(bptz)4(CH3CN)8][ClO4]8ψ4CH3CNψC4H8O","","","- C76 H76 Cl8 N36 Ni4 O33 -","- C76 H76 Cl8 N36 Ni4 O33 -","- C304 H304 Cl32 N144 Ni16 O132 -","4","1","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1944","0.0584","","","0.1257","0.1614","","","","","","0.86","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111909","17.933","0.004","28.314","0.006","29.459","0.006","90","","104.82","0.03","90","","14460","6","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[{Ni5(bptz)5(CH3CN)10}][SbF6]10ψ2CH3CN","","","- C84 H76 F60 N42 Ni5 Sb10 -","- C84 H76 F58.9596 N42 Ni5 Sb9.8621 -","- C336 H304 F235.838 N168 Ni20 Sb39.4484 -","4","0.5","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1428","0.1085","","","0.3159","0.3433","","","","","","1.303","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111910","18.145","0.004","14.925","0.003","22.529","0.004","90","","90","","90","","6101","2","110","2","110","2","","","","","","","","7","I 2 2 2","I 2 2","23","[Ni4(bptz)4(CH3CN)8][SbF6]7[I]","","","- C64 H56 F42 I N32 Ni4 Sb7 -","- C64 H56 F42 I N32 Ni4 Sb7 -","- C128 H112 F84 I2 N64 Ni8 Sb14 -","2","0.25","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.0764","0.0655","","","0.1625","0.1694","","","","","","0.909","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111911","17.869","0.004","14.762","0.003","22.326","0.004","90","","90","","90","","5889","2","110","2","110","2","","","","","","","","8","I 2 2 2","I 2 2","23","[Ni4(bptz)4(CH3CN)8][BF4][PF6][SbF6]6","","","- C64 H56 B F46 N32 Ni4 P Sb6 -","- C64 H56 B F46 N32 Ni4 P Sb6 -","- C128 H112 B2 F92 N64 Ni8 P2 Sb12 -","2","0.25","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1109","0.0808","","","0.2089","0.2313","","","","","","1.04","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111912","20.358","0.004","17.493","0.004","28.123","0.006","90","","98.53","0.03","90","","9904","4","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ni4(bptz)4(CH3CN)4(H2O)4][ClO4][IO4]7ψ3CH3CN","","","- C62 H61 Cl I7 N31 Ni4 O36 -","- C62 H61 Cl I7 N31 Ni4 O36 -","- C248 H244 Cl4 I28 N124 Ni16 O144 -","4","0.5","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1922","0.1087","","","0.2804","0.3453","","","","","","1.064","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111913","13.197","0.003","27.7","0.006","23.557","0.005","90","","100.45","0.03","90","","8469","3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Ni4(bptz)4Br7(CH3CN)Br3]ψ2CH3CNψ2.5C6H5CH3","","","- C71.5 H61 Br10 N27 Ni4 -","- C71.5 H61 Br10 N27 Ni4 -","- C286 H244 Br40 N108 Ni16 -","4","1","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.209","0.0646","","","0.1469","0.2046","","","","","","0.956","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111914","14.118","0.003","17.09","0.003","21.774","0.004","94.87","0.03","91.43","0.03","97.47","0.03","5186.7","1.8","110","2","173","2","","","","","","","","6","P -1","-P 1","2","[Ni4(bptz)4(CH3CN)8][BF4]8ψ4CH3CN","","","- C72 H68 B8 F32 N36 Ni4 -","- C72 H68 B8 F32 N36 Ni4 -","- C144 H136 B16 F64 N72 Ni8 -","2","1","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1544","0.087","","","0.2056","0.243","","","","","","1.03","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111915","13.924","0.001","17.071","0.001","21.94","0.001","94.458","0.001","92.51","0.001","97.79","0.001","5143.5","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","[Zn4(bptz)4(CH3CN)8][BF4]8ψ4CH3CN","","","- C72 H68 B8 F32 N36 Zn4 -","- C72 H68 B8 F32 N36 Zn4 -","- C144 H136 B16 F64 N72 Zn8 -","2","1","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1339","0.0695","","","0.1914","0.2368","","","","","","1.048","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111916","8.639","0.005","10.856","0.005","12.362","0.005","98.355","0.005","104.675","0.005","97.317","0.005","1093.2","0.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","[Ni2(bptz)(CH3CN)8][ClO4]4","","","- C28 H32 Cl4 N14 Ni2 O16 -","- C28 H32 Cl4 N14 Ni2 O16 -","- C28 H32 Cl4 N14 Ni2 O16 -","1","0.5","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1285","0.0612","","","0.1411","0.1785","","","","","","0.973","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111917","9.135","0.0018","10.859","0.002","14.631","0.003","99.48","0.03","107.53","0.03","102.27","0.03","1311","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","{[Mn(bptz)(CH3CN)2][BF4]2}%ψ1.5nCH3CN","","","- C38 H37 B4 F16 Mn2 N19 -","- C38 H37 B4 F16 Mn2 N19 -","- C38 H37 B4 F16 Mn2 N19 -","1","0.5","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1226","0.0528","","","0.113","0.1392","","","","","","0.907","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111918","17.353","0.001","18.956","0.001","19.884","0.001","99.42","","100.11","0.01","93.68","","6323.2","0.6","133","2","133","2","","","","","","","","4","P 1","P 1","1","","","","- C120 H131 N17 O20 -","- C120 H127 N17 O20 -","- C240 H254 N34 O40 -","2","2","","Christel Dolain; Hua Jiang; Jean-Michel Léger; Philippe Guionneau; Ivan Huc","Chiral Induction in Quinoline-Derived Oligoamide Foldamers: Assignment of Helical Handedness and Role of Steric Effects","Journal of the American Chemical Society","2005","127","","12943","12951","10.1021/ja0527828","","","1.54178","CuKα","","0.1506","0.1398","","","0.3659","0.3802","","","","","","1.251","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111919","17.126","0.001","19.1","0.001","20.095","0.001","74.62","","78.47","0.01","84.68","","6204.4","0.6","133","2","133","2","","","","","","","","4","P 1","P 1","1","","","","- C128 H129 N17 O20 -","- C128 H129 N17 O20 -","- C256 H258 N34 O40 -","2","2","","Christel Dolain; Hua Jiang; Jean-Michel Léger; Philippe Guionneau; Ivan Huc","Chiral Induction in Quinoline-Derived Oligoamide Foldamers: Assignment of Helical Handedness and Role of Steric Effects","Journal of the American Chemical Society","2005","127","","12943","12951","10.1021/ja0527828","","","1.54178","CuKα","","0.188","0.1484","","","0.372","0.4119","","","","","","1.552","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111920","13.271","0.001","14.131","0.001","20.652","0.001","90.15","0.01","104.04","0.01","117.1","0.01","3315.9","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C70.5 H76 N9 O10 -","- C70.5 H75.5 N9 O10 -","- C141 H151 N18 O20 -","2","1","","Christel Dolain; Hua Jiang; Jean-Michel Léger; Philippe Guionneau; Ivan Huc","Chiral Induction in Quinoline-Derived Oligoamide Foldamers: Assignment of Helical Handedness and Role of Steric Effects","Journal of the American Chemical Society","2005","127","","12943","12951","10.1021/ja0527828","","","0.71073","MoKα","","0.1357","0.0837","","","0.2367","0.2883","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111921","17.8823","0.0008","17.9987","0.0008","21.8143","0.0009","86.313","0.003","69.151","0.003","74.408","0.003","6316.1","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C140 H151 N17 O18 -","- C140.75 H149.25 N17 O18 -","- C281.5 H298.5 N34 O36 -","2","1","","Christel Dolain; Hua Jiang; Jean-Michel Léger; Philippe Guionneau; Ivan Huc","Chiral Induction in Quinoline-Derived Oligoamide Foldamers: Assignment of Helical Handedness and Role of Steric Effects","Journal of the American Chemical Society","2005","127","","12943","12951","10.1021/ja0527828","","","1.54178","CuKα","","0.1445","0.1132","","","0.3723","0.4161","","","","","","1.029","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111922","25.7295","0.0003","13.5967","0.0002","45.464","0.0003","90","","102.6","0.001","90","","15521.9","0.3","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H52 Fe N28 O14 -","- C52 H52 Fe N28 O14 -","- C416 H416 Fe8 N224 O112 -","8","2","","Woo Sung Jeon; Kwangyul Moon; Sang Hyun Park; Hyungpil Chun; Young Ho Ko; Jin Yong Lee; Eun Sung Lee; S. Samal; N. Selvapalam; Mikhail V. Rekharsky; Vladimir Sindelar; David Sobransingh; Yoshihisa Inoue; Angel E. Kaifer; Kimoon Kim","Complexation of Ferrocene Derivatives by the Cucurbit[7]uril Host: A Comparative Study of the Cucurbituril and Cyclodextrin Host Families","Journal of the American Chemical Society","2005","127","","12984","12989","10.1021/ja052912c","","","0.71073","MoKα","","0.1243","0.0812","","","0.2046","0.2339","","","","","","1.047","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111923","8.875","0.0016","11.612","0.002","15.488","0.003","82.465","0.004","86.737","0.004","74.056","0.004","1521.1","0.5","296","2","296","2","","","","","","","see text","5","P -1","-P 1","2","beta-aminodisulfide","N1-(1S*,2S*)-2-[((1S*,2S*)-1,3-dimethyl-2-[(4- methylphenyl) sulfonyl]aminobutyl)disulfanyl]-1-isopropylpropyl-4-methyl-1-benzenesulfonamide","","- C26 H40 N2 O4 S4 -","- C26 H40 N2 O4 S4 -","- C52 H80 N4 O8 S8 -","2","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.1424","0.0617","","","0.0937","0.1093","","","","","","0.935","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111924","5.17","0.003","29.506","0.017","8.522","0.005","90","","100.04","0.01","90","","1280.1","1.3","296","2","296","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","Amino thiirane","N1-[(2R*,3R*)-3-methylthiiran-2-yl]methyl-4-methyl-1-benzenesulfonamide","","- C11 H15 N O2 S2 -","- C11 H15 N O2 S2 -","- C44 H60 N4 O8 S8 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0687","0.0551","","","0.1279","0.1339","","","","","","1.191","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111925","12.47","0.007","7.347","0.004","15.965","0.009","90","","112.404","0.009","90","","1352.3","1.3","296","2","296","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","cyclic aminodisulfide","N1-[(3R*,4S*)-3-methyl-1,2-dithiolan-4-yl] methyl-4-methyl-1-benzenesulfonamide","","- C11 H15 N O2 S3 -","- C11 H15 N O2 S3 -","- C44 H60 N4 O8 S12 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0654","0.0539","","","0.1401","0.1458","","","","","","1.092","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111926","10.1","0.002","6.3264","0.0013","20.753","0.004","90","","94.225","0.004","90","","1322.4","0.5","296","2","296","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","Tetrahydro aminothiephene","N1-[(3S*)-3-methyltetrahydro-3-thiophenyl]-4-methyl-1-benzenesulfonamide","","- C12 H17 N O2 S2 -","- C12 H17 N O2 S2 -","- C48 H68 N4 O8 S8 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0808","0.0754","","","0.2323","0.2373","","","","","","1.096","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111927","12.384","0.002","7.4375","0.0012","14.612","0.002","90","","105.943","0.003","90","","1294.1","0.3","296","2","296","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","trans-aziridine epoxide","(1aR*2aR*3aS*4aS*-3-[(4-methylphenyl)sulfonyl] perhydrooxireno[2',3':4,5]benzo[b]azirene","","- C13 H15 N O3 S -","- C13 H15 N O3 S -","- C52 H60 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0451","0.0394","","","0.118","0.122","","","","","","1.073","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111928","10.879","0.008","6.214","0.004","13.814","0.01","90","","106.637","0.01","90","","894.8","1.1","296","2","296","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","Thia-bicyclononane","N1-[(1R,4S,5R,8R)-4,8-dimethyl-7-oxo-2-thiabicyclo[3.3.1] non-4-yl]-4-methyl-1-benzenesulfonamide","","- C17 H23 N O3 S2 -","- C17 H23 N O3 S2 -","- C34 H46 N2 O6 S4 -","2","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0325","0.0313","","","0.0849","0.086","","","","","","1.128","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111929","6.688","0.004","10.74","0.007","12.092","0.008","99.613","0.009","99.698","0.009","97.747","0.009","832.2","0.9","296","2","296","2","","","","","","","see text","5","P -1","-P 1","2","Bridged disulfide","N1-[(1S*2R*4R*5S*)-4-hydroxy-6,7-dithiabicyclo[3.2.1]oct-2-yl]- 4-methyl-1-benzenesulfonamide","","- C13 H17 N O3 S3 -","- C13 H17 N O3 S3 -","- C26 H34 N2 O6 S6 -","2","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0645","0.0506","","","0.1393","0.1475","","","","","","1.127","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111930","8.4144","0.0005","13.3381","0.0008","15.0488","0.0009","90","","90","","90","","1688.96","0.17","296","2","296","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","Carvone-epoxyaziridine","(1aS,4S,5aS)-1a-methyl-4-(2R)-2-methyl-1-[(4-methylphenyl) sulfonyl]aziran-2-ylperhydro-1-benzoxiren-2-one","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C68 H84 N4 O16 S4 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0306","0.0291","","","0.0805","0.0818","","","","","","1.046","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111931","8.098","0.004","10.373","0.006","21.581","0.012","90","","90","","90","","1812.8","1.7","296","2","296","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","Thia-bicyclononane derivative","N1-[(1S,4R,5S,7R)-7-hydroxy-1,4-dimethyl-8-oxo-2-thiabicyclo[3.2.2] non-4-yl]-4-methyl-1-benzenesulfonamide","","- C17 H23 N O4 S2 -","- C17 H23 N O4 S2 -","- C68 H92 N4 O16 S8 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0359","0.035","","","0.093","0.0938","","","","","","1.113","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111932","11.8179","0.0017","15.425","0.002","11.8406","0.0016","90","","110.502","0.002","90","","2021.7","0.5","296","2","296","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","diamino tetrahydrothiophene","N1-((3R,4R)-4-[(4-methylphenyl)sulfonyl]aminotetrahydro-3-thiophenyl)- 4-methyl-1-benzenesulfonamide","","- C18 H22 N2 O4 S3 -","- C18 H22 N2 O4 S3 -","- C72 H88 N8 O16 S12 -","4","2","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0709","0.0491","","","0.0976","0.1071","","","","","","1.051","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111933","6.448","0.0008","14.3862","0.0018","22.735","0.003","90","","90","","90","","2108.9","0.5","296","2","296","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","Cyclic diaminosulfide","N1-((4R,5R)-5-[(4-methylphenyl)sulfonyl]amino-1,2-dithian-4-yl)- 4-methyl-1-benzenesulfonamide","","- C18 H22 N2 O4 S4 -","- C18 H22 N2 O4 S4 -","- C72 H88 N8 O16 S16 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","x-ray","0.71073","MoKα","","0.068","0.0633","","","0.1333","0.1354","","","","","","1.254","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111934","9.941","0.006","9.161","0.005","15.046","0.009","90","","109.232","0.009","90","","1293.8","1.3","296","2","296","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","Diamino thiepane","N1-((3aR,4R,8R,8aR)-2,2-dimethyl-8-[(4-methylphenyl)sulfonyl] aminoperhydrothiepino[4,5-d][1,3]dioxol-4-yl)-4-methyl-1-benzenesulfonamide","","- C23 H30 N2 O6 S3 -","- C23 H30 N2 O6 S3 -","- C46 H60 N4 O12 S6 -","2","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0474","0.0401","","","0.0927","0.0955","","","","","","1.046","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111935","10.06","0.0012","10.06","0.0012","10.06","0.0012","90","","90","","90","","1018.1","0.2","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Platinumhexaindiumoxidegermanate","","- Ge2 In6 O9 Pt -","- Ge2 In6 O9 Pt -","- Ge8 In24 O36 Pt4 -","4","0.0208333","","Jürgen Köhler; Holger Friedrich; Myung-Hwan Whangbo; Antoine Villesuzanne","Synthesis and Characterization of [PtIn6](GeO4)2O and Its Solid Solution [PtIn6](GaO4)2-x(GeO4)xOx/2 (0 <=x<= 2): Gradual Color Change of the Solid Solution from Black (x= 0) to Yellow (x= 2) as a Consequence of Quantum Dot Effect","Journal of the American Chemical Society","2005","127","","12990","12996","10.1021/ja053280x","","","0.71073","MoKα","","0.0165","0.0162","","","0.042","0.0421","","","","","","1.39","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4111936","13.5027","0.0004","13.5027","0.0004","13.5027","0.0004","90","","90","","90","","2461.85","0.13","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu10.5 Ga7.39 Mg0.17 Sc3 -","- Cu10.5 Ga7.386 Mg0.174 Sc3 -","- Cu84 Ga59.088 Mg1.392 Sc24 -","8","0.166667","","Qisheng Lin; John D. Corbett","Electronic Tuning of Mg2Cu6Ga5. A Route to Crystalline Approximant and Quasicrystalline Phases","Journal of the American Chemical Society","2005","127","","12786","12787","10.1021/ja0539645","","","0.71073","MoKα","","0.0498","0.0438","","","0.1003","0.1039","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111937","13.5005","0.0004","13.5005","0.0004","13.5005","0.0004","90","","90","","90","","2460.65","0.13","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu10.5 Ga7.25 Mg0.17 Sc3 -","- Cu10.5 Ga7.247 Mg0.168 Sc3 -","- Cu84 Ga57.976 Mg1.344 Sc24 -","8","0.166667","","Qisheng Lin; John D. Corbett","Electronic Tuning of Mg2Cu6Ga5. A Route to Crystalline Approximant and Quasicrystalline Phases","Journal of the American Chemical Society","2005","127","","12786","12787","10.1021/ja0539645","","","0.71073","MoKα","","0.0453","0.0427","","","0.1026","0.1041","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111938","28.5344","0.0008","28.5344","0.0008","12.2148","0.0005","90","","90","","120","","8613","0.5","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","Tb(BTB)(H2O), 2(C6H11OH)","aqua-Terbium(III) trisbenzoate, cyclohexanol solvate","","- C39 H39 O9 Tb -","- C39 H39 O9 Tb -","- C351 H351 O81 Tb9 -","9","0.5","","Thomas Devic; Christian Serre; Nathalie Audebrand; Jérôme Marrot; Gérard Férey","MIL-103, A 3-D Lanthanide-Based Metal Organic Framework with Large One-Dimensional Tunnels and A High Surface Area","Journal of the American Chemical Society","2005","127","","12788","12789","10.1021/ja053992n","","","0.71073","MoKα","","0.0628","0.0427","","","0.1033","0.1288","","","","","","1.11","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111939","9.8426","0.0012","18.821","0.002","22.748","0.003","90","","91.684","0.002","90","","4212.2","0.9","206","2","206","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H66 Fe N3 Si2 -","- C41 H66 Fe N3 Si2 -","- C164 H264 Fe4 N12 Si8 -","4","1","","Jennifer Scott; Sandro Gambarotta; Ilia Korobkov; Peter H. M. Budzelaar","Metal versus Ligand Alkylation in the Reactivity of the (Bis-iminopyridinato)Fe Catalyst","Journal of the American Chemical Society","2005","127","","13019","13029","10.1021/ja054152b","","","0.71073","MoKα","","0.105","0.0623","","","0.1399","0.1552","","","","","","1.036","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111940","9.61","0.003","10.865","0.003","22.115","0.007","89.135","0.005","85.805","0.006","66.61","0.005","2113.4","1.1","208","2","208","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H65 Fe N3 Si2 -","- C41 H65 Fe N3 Si2 -","- C82 H130 Fe2 N6 Si4 -","2","1","","Jennifer Scott; Sandro Gambarotta; Ilia Korobkov; Peter H. M. Budzelaar","Metal versus Ligand Alkylation in the Reactivity of the (Bis-iminopyridinato)Fe Catalyst","Journal of the American Chemical Society","2005","127","","13019","13029","10.1021/ja054152b","","","0.71073","MoKα","","0.1298","0.0721","","","0.1272","0.1443","","","","","","1.011","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111941","11.574","0.003","18.331","0.005","21.787","0.005","90","","96.094","0.005","90","","4596","2","208","2","208","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H66 Cl Fe Li N3 O3 -","- C45 H66 Cl Fe Li N3 O3 -","- C180 H264 Cl4 Fe4 Li4 N12 O12 -","4","1","","Jennifer Scott; Sandro Gambarotta; Ilia Korobkov; Peter H. M. Budzelaar","Metal versus Ligand Alkylation in the Reactivity of the (Bis-iminopyridinato)Fe Catalyst","Journal of the American Chemical Society","2005","127","","13019","13029","10.1021/ja054152b","","","0.71073","MoKα","","0.1129","0.0783","","","0.154","0.1686","","","","","","1.065","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111942","15.998","0.019","27.61","0.03","24.9","0.03","90","","97.75","0.02","90","","10898","2","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H86 Fe Li N3 O4 Si -","- C53 H86 Fe Li N3 O4 Si -","- C424 H688 Fe8 Li8 N24 O32 Si8 -","8","2","","Jennifer Scott; Sandro Gambarotta; Ilia Korobkov; Peter H. M. Budzelaar","Metal versus Ligand Alkylation in the Reactivity of the (Bis-iminopyridinato)Fe Catalyst","Journal of the American Chemical Society","2005","127","","13019","13029","10.1021/ja054152b","","","0.71073","MoKα","","0.1039","0.0688","","","0.1518","0.1685","","","","","","1.008","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111943","9.2892","0.0008","10.5046","0.0009","16.1275","0.0014","90","","96.198","0.001","90","","1564.5","0.2","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Br O5 -","- C15 H19 Br O5 -","- C60 H76 Br4 O20 -","4","1","","Siu Hong Yu; Michael J. Ferguson; Robert McDonald; Dennis G. Hall","Brønsted Acid-Catalyzed Allylboration: Short and Stereodivergent Synthesis of All Four Eupomatilone Diastereomers with Crystallographic Assignments","Journal of the American Chemical Society","2005","127","","12808","12809","10.1021/ja054171l","","","0.71073","MoKα","","0.0401","0.0323","","","0.0837","0.0876","","","","","","1.072","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111944","7.9639","0.0003","23.3702","0.0008","8.5236","0.0003","90","","99.8561","0.0006","90","","1562.98","0.1","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Br O5 -","- C15 H19 Br O5 -","- C60 H76 Br4 O20 -","4","1","","Siu Hong Yu; Michael J. Ferguson; Robert McDonald; Dennis G. Hall","Brønsted Acid-Catalyzed Allylboration: Short and Stereodivergent Synthesis of All Four Eupomatilone Diastereomers with Crystallographic Assignments","Journal of the American Chemical Society","2005","127","","12808","12809","10.1021/ja054171l","","","0.71073","MoKα","","0.0301","0.0252","","","0.0656","0.0677","","","","","","1.036","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111945","10.2249","0.0006","9.8448","0.0006","15.8781","0.001","90","","105.382","0.001","90","","1541.07","0.16","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Br O5 -","- C15 H19 Br O5 -","- C60 H76 Br4 O20 -","4","1","","Siu Hong Yu; Michael J. Ferguson; Robert McDonald; Dennis G. Hall","Brønsted Acid-Catalyzed Allylboration: Short and Stereodivergent Synthesis of All Four Eupomatilone Diastereomers with Crystallographic Assignments","Journal of the American Chemical Society","2005","127","","12808","12809","10.1021/ja054171l","","","0.71073","MoKα","","0.031","0.0266","","","0.0664","0.0685","","","","","","1.078","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111946","7.8495","0.0009","33.138","0.004","7.8963","0.0009","90","","102.652","0.002","90","","2004.1","0.4","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O7 -","- C22 H24 O7 -","- C88 H96 O28 -","4","1","","Siu Hong Yu; Michael J. Ferguson; Robert McDonald; Dennis G. Hall","Brønsted Acid-Catalyzed Allylboration: Short and Stereodivergent Synthesis of All Four Eupomatilone Diastereomers with Crystallographic Assignments","Journal of the American Chemical Society","2005","127","","12808","12809","10.1021/ja054171l","","","0.71073","MoKα","","0.1168","0.0514","","","0.1051","0.1322","","","","","","0.995","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111947","7.6045","0.001","8.7072","0.0012","15.59","0.002","75.876","0.002","82.717","0.002","80.088","0.002","982.2","0.2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 O7 -","- C22 H24 O7 -","- C44 H48 O14 -","2","1","","Siu Hong Yu; Michael J. Ferguson; Robert McDonald; Dennis G. Hall","Brønsted Acid-Catalyzed Allylboration: Short and Stereodivergent Synthesis of All Four Eupomatilone Diastereomers with Crystallographic Assignments","Journal of the American Chemical Society","2005","127","","12808","12809","10.1021/ja054171l","","","0.71073","MoKα","","0.0962","0.0498","","","0.1139","0.1378","","","","","","1.012","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111948","11.287","0.003","12.574","0.003","12.667","0.003","91.95","0.004","109.062","0.003","92.205","0.004","1695.8","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H26 Cl2 N4 O8 Pd -","- C37 H26 Cl2 N4 O8 Pd -","- C74 H52 Cl4 N8 O16 Pd2 -","2","1","","Allison R. Dick; Jeff W. Kampf; Melanie S. Sanford","Unusually Stable Palladium(IV) Complexes: Detailed Mechanistic Investigation of C-O Bond-Forming Reductive Elimination","Journal of the American Chemical Society","2005","127","","12790","12791","10.1021/ja0541940","","","0.71073","MoKα","","0.0501","0.0425","","","0.1152","0.1213","","","","","","1.07","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111949","10.479","0.001","10.8719","0.0009","15.033","0.002","89.295","0.003","86.88","0.002","61.205","0.003","1498.5","0.3","273.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H47 Ni O P -","- C34 H47 Ni O P -","- C68 H94 Ni2 O2 P2 -","2","1","","Sensuke Ogoshi; Mizu Ueta; Tomoya Arai; Hideo Kurosawa","AlMe3-Promoted Oxidative Cyclization of η2-Alkene and η2-Ketone on Nickel(0). Observation of Intermediate in Methyl Transfer Process","Journal of the American Chemical Society","2005","127","","12810","12811","10.1021/ja0542486","","","0.7107","MoKα","","","0.095","","","","0.079","","","","","","19.951","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111950","12.1325","0.0005","12.228","0.0006","14.3338","0.0007","68.703","0.001","74.016","0.003","88.774","0.003","1897.34","0.16","273.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H56 Al Ni O P -","- C24.6667 H37.3333 Al0.666667 Ni0.666667 O0.666667 P0.666667 -","- C74 H112 Al2 Ni2 O2 P2 -","3","1.5","","Sensuke Ogoshi; Mizu Ueta; Tomoya Arai; Hideo Kurosawa","AlMe3-Promoted Oxidative Cyclization of η2-Alkene and η2-Ketone on Nickel(0). Observation of Intermediate in Methyl Transfer Process","Journal of the American Chemical Society","2005","127","","12810","12811","10.1021/ja0542486","","","0.7107","MoKα","","","0.062","","","","0.099","","","","","","5.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111951","8.7914","0.0004","8.7914","0.0004","25.7475","0.0019","90","","90","","120","","1723.38","0.17","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C12 H54 N8 O22 P4 Zn3 -","- C12 H54 N8 O22 P4 Zn3 -","- C24 H108 N16 O44 P8 Zn6 -","2","0.166667","","Yueh-Chun Liao; Yao-Chen Jiang; Sue-Lein Wang","Discrete Water Hexamers and Template-Assisted Molecular Recognition in an Elastic Zincophosphate Lattice","Journal of the American Chemical Society","2005","127","","12794","12795","10.1021/ja054357k","","","0.71073","MoKα","","0.0481","0.0438","","","0.1032","0.1048","","","","","","1.208","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111952","15.0239","0.0009","8.5826","0.0005","36.299","0.002","90","","100.684","0.001","90","","4599.4","0.5","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H54 N8 O24 P4 Zn3 -","- C28 H52 N8 O24 P4 Zn3 -","- C112 H208 N32 O96 P16 Zn12 -","4","0.5","","Yueh-Chun Liao; Yao-Chen Jiang; Sue-Lein Wang","Discrete Water Hexamers and Template-Assisted Molecular Recognition in an Elastic Zincophosphate Lattice","Journal of the American Chemical Society","2005","127","","12794","12795","10.1021/ja054357k","","","0.71073","MoKα","","0.0556","0.049","","","0.1221","0.1248","","","","","","1.286","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111953","25.214","0.001","11.4673","0.0004","21.2735","0.0009","90","","94.362","0.003","90","","6133.1","0.4","173.2","","173.2","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H78 N6 O2 P2 Si4 Zr2 -","- C56 H78 N6 O2 P2 Si4 Zr2 -","- C224 H312 N24 O8 P8 Si16 Zr8 -","4","0.5","","Lara Morello; Peihua Yu; Christopher D. Carmichael; Brian O. Patrick; Michael D. Fryzuk","Formation of Phosphorus-Nitrogen Bonds by Reduction of a Titanium Phosphine Complex under Molecular Nitrogen","Journal of the American Chemical Society","2005","127","","12796","12797","10.1021/ja054467r","","","0.7107","MoKα","","0.0538","0.03","","0.0847","","0.0847","","","1.063","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111954","25.13","0.0009","26.7178","0.001","27.4226","0.001","90","","114.884","0.002","90","","16702.7","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H100 N6 P4 Si8 Ti2 -","- C62 H100 N6 P4 Si8 Ti2 -","- C496 H800 N48 P32 Si64 Ti16 -","8","1","","Lara Morello; Peihua Yu; Christopher D. Carmichael; Brian O. Patrick; Michael D. Fryzuk","Formation of Phosphorus-Nitrogen Bonds by Reduction of a Titanium Phosphine Complex under Molecular Nitrogen","Journal of the American Chemical Society","2005","127","","12796","12797","10.1021/ja054467r","","","0.71069","MoKα","","0.1052","0.0621","","","0.1795","0.1979","","","","","","1.011","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111955","8.6354","0.0007","20.9776","0.0016","8.8355","0.0007","90","","92.563","0.004","90","","1598.9","0.2","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H39 Cl2 N2 O P Si2 Ti -","- C28 H39 Cl2 N2 O P Si2 Ti -","- C56 H78 Cl4 N4 O2 P2 Si4 Ti2 -","2","1","","Lara Morello; Peihua Yu; Christopher D. Carmichael; Brian O. Patrick; Michael D. Fryzuk","Formation of Phosphorus-Nitrogen Bonds by Reduction of a Titanium Phosphine Complex under Molecular Nitrogen","Journal of the American Chemical Society","2005","127","","12796","12797","10.1021/ja054467r","","","0.71069","MoKα","","0.0656","0.049","","","0.1104","0.1183","","","","","","0.959","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111956","15.764","0.0009","17.9296","0.001","22.562","0.0014","90","","96.006","0.002","90","","6342","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H78 N6 P2 Si4 Ti2 -","- C62 H78 N6 P2 Si4 Ti2 -","- C248 H312 N24 P8 Si16 Ti8 -","4","1","","Lara Morello; Peihua Yu; Christopher D. Carmichael; Brian O. Patrick; Michael D. Fryzuk","Formation of Phosphorus-Nitrogen Bonds by Reduction of a Titanium Phosphine Complex under Molecular Nitrogen","Journal of the American Chemical Society","2005","127","","12796","12797","10.1021/ja054467r","","","0.71069","MoKα","","0.0736","0.0595","","","0.1442","0.1558","","","","","","1.056","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111957","14.8445","0.0008","23.8182","0.0013","26.326","0.0014","90","","100.51","0.001","90","","9151.9","0.9","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41.5 H46 F12 N7 O2.5 P2 Ru -","- C41.5 H46 F12 N7 O2.5 P2 Ru -","- C332 H368 F96 N56 O20 P16 Ru8 -","8","1","","Ruifa Zong; Randolph P. Thummel","A New Family of Ru Complexes for Water Oxidation","Journal of the American Chemical Society","2005","127","","12802","12803","10.1021/ja054791m","","","0.71073","MoKα","","0.0852","0.0575","","","0.1471","0.171","","","","","","1.001","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111958","20.2268","0.0003","20.8583","0.0005","19.3017","0.0004","90","","90","","90","","8143.3","0.3","123","2","123","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H62 N3 Na O Zn -","- C36 H62 N3 Na O Zn -","- C288 H496 N24 Na8 O8 Zn8 -","8","1","","Eva Hevia; Gordon W. Honeyman; Alan R. Kennedy; Robert E. Mulvey","Trapping, Stabilization, and Characterization of an Enolate Anion of a 1,6-Adduct of Benzophenone Chelated by a Sodium Alkylamidozincate Cation","Journal of the American Chemical Society","2005","127","","13106","13107","10.1021/ja053756c","","","0.71073","MoKα","","0.0944","0.0502","","","0.1319","0.1469","","","","","","1.085","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111959","12.8817","0.0006","17.4734","0.0008","17.0293","0.0008","90","","111.575","0.001","90","","3564.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 Cd2 N8 Se10.11 Yb4 -","- C64 H60 Cd2 N8 Se10.104 Yb4 -","- C128 H120 Cd4 N16 Se20.208 Yb8 -","2","0.5","","Anna Kornienko; Santanu Banerjee; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Heterometallic Chalcogenido Clusters Containing Lanthanides and Main Group Metals: Emissive Precursors to Ternary Solid-State Compounds","Journal of the American Chemical Society","2005","127","","14008","14014","10.1021/ja0534708","","","0.71073","MoKα","","0.0976","0.0526","","","0.0998","0.1107","","","","","","0.998","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111960","12.907","0.0006","17.5001","0.0008","16.9594","0.0008","90","","111.849","0.001","90","","3555.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 Hg2 N8 Se10.08 Yb4 -","- C64 H60 Hg2 N8 Se10.078 Yb4 -","- C128 H120 Hg4 N16 Se20.156 Yb8 -","2","0.5","","Anna Kornienko; Santanu Banerjee; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Heterometallic Chalcogenido Clusters Containing Lanthanides and Main Group Metals: Emissive Precursors to Ternary Solid-State Compounds","Journal of the American Chemical Society","2005","127","","14008","14014","10.1021/ja0534708","","","0.71073","MoKα","","0.0664","0.0415","","","0.0843","0.0924","","","","","","1.009","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111961","10.6357","0.0016","39.908","0.006","13.825","0.002","90","","94.514","0.003","90","","5849.8","1.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H81 Cl Cr N2 O2 P -","- C39.5707 H61.5933 Cl0.666667 Cr0.666667 N1.33333 O2.89267 P0.666667 -","- C237.424 H369.56 Cl4 Cr4 N8 O17.356 P4 -","6","1.5","","Donald J. Darensbourg; Ryan M. Mackiewicz","Role of the Cocatalyst in the Copolymerization of CO2 and Cyclohexene Oxide Utilizing Chromium Salen Complexes","Journal of the American Chemical Society","2005","127","","14026","14038","10.1021/ja053544f","","","0.71073","MoKα","","0.2798","0.0998","","","0.2045","0.2705","","","","","","1.052","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111962","11.00658","0.00016","3.95831","0.0002","6.85542","0.00029","90","","90","","90","","298.67","0.02","","","","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- Cu0.73 La Mo0.25 O3 Zn0.03 -","- Cu0.725 La Mo0.25 O3 Zn0.025 -","- Cu2.9 La4 Mo O12 Zn0.1 -","4","0.5","","Guobao Li; Liping You; Wutao Wei; Yue Lu; Jing Ju; Anders Wannberg; Håkan Rundlöf; Xiaodong Zou; Tao Yang; Shujian Tian; Fuhui Liao; Naoki Toyota; Jianhua Lin","La4Cu3-xZnxMoO12: Zinc-Doped Cuprates with Kagomé Lattices","Journal of the American Chemical Society","2005","127","","14094","14099","10.1021/ja053489a","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.08048","","2.89","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4111963","7.8771","0.0016","11.924","0.002","16.046","0.003","80.722","0.004","84.914","0.003","84.786","0.003","1477.1","0.5","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H40 Ir2 O12 -","- C24 H40 Ir2 O12 -","- C48 H80 Ir4 O24 -","2","1","","William J. Tenn; Kenneth J. H. Young; Gaurav Bhalla; Jonas Oxgaard; William A. Goddard; Roy A. Periana","CH Activation with an O-Donor Iridium-Methoxo Complex","Journal of the American Chemical Society","2005","127","","14172","14173","10.1021/ja051497l","","","0.71073","MoKα","","0.0975","0.0602","","","0.1361","0.1484","","","","","","1.001","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111964","11.2909","0.0008","13.7659","0.001","13.924","0.001","90","","90","","90","","2164.2","0.3","133","2","133","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H23 Cl3 Ir N O5 -","- C17 H23 Cl3 Ir N O5 -","- C68 H92 Cl12 Ir4 N4 O20 -","4","0.5","","William J. Tenn; Kenneth J. H. Young; Gaurav Bhalla; Jonas Oxgaard; William A. Goddard; Roy A. Periana","CH Activation with an O-Donor Iridium-Methoxo Complex","Journal of the American Chemical Society","2005","127","","14172","14173","10.1021/ja051497l","","","0.71073","MoKα","","0.0246","0.022","","","0.066","0.0672","","","","","","1.06","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111965","3.23439","0.00007","3.23439","","5.25266","","90","","90","","120","","47.5877","0.001","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- Mg -","- Mg -","- Mg2 -","2","0.0833333","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111966","4.5288","","4.5288","","3.0177","","90","","90","","90","","61.893","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- D1.29 Mg -","- D1.3 Mg -","- D2.6 Mg2 -","2","0.125","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111967","4.52026","0.00006","4.52026","","3.02593","0.00006","90","","90","","90","","61.8281","0.0015","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- D1.95 Mg -","- D1.9512 Mg -","- D3.9024 Mg2 -","2","0.125","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111968","4.227","","4.227","","4.227","","90","","90","","90","","75.526","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111969","3.3279","","3.3279","","3.3279","","90","","90","","90","","36.856","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Nb -","- Nb -","- Nb2 -","2","0.0208333","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111970","3.438","","3.438","","3.438","","90","","90","","90","","40.637","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- D0.83 Nb -","- D0.83214 Nb -","- D1.66428 Nb2 -","2","0.0208333","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111971","4.07047","","4.07047","","4.07047","","90","","90","","90","","67.443","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Mg0.33 Nb1.67 O3 -","- Mg0.3333 Nb1.6667 O3 -","- Mg0.3333 Nb1.6667 O3 -","1","0.0208333","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111972","15.536","0.002","9.107","0.0008","28.617","0.003","90","","95.15","0.004","90","","4032.6","0.8","173.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H28 Cl3 O3 P Ru -","- C15.5 H28 Cl3 O3 P Ru -","- C124 H224 Cl24 O24 P8 Ru8 -","8","1","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0359","","","","0.0952","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111973","9.449","0.006","16.93","0.01","13.252","0.008","90","","90","","90","","2120","2","223.2","","","","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C15 H27 Mo O4 P Ru S3 -","- C15 H27 Mo O4 P Ru S3 -","- C60 H108 Mo4 O16 P4 Ru4 S12 -","4","0.5","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0396","","","","0.0879","","","","","","0.836","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111974","8.934","0.004","23.35","0.01","13.258","0.007","90","","96.171","0.007","90","","2750","2","173.2","","","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C16.4 H29.1 Cu I Mo N0.7 O4 P Ru S3 -","- C16.4 H29.1 Cu I Mo N0.7 O4 P Ru S3 -","- C65.6 H116.4 Cu4 I4 Mo4 N2.8 O16 P4 Ru4 S12 -","4","1","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0576","","","","0.1599","","","","","","0.809","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111975","16.036","0.009","11.237","0.006","15.621","0.009","90","","93.755","0.009","90","","2809","3","223.2","","","","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C18 H33 Cu I Mo O4 P Ru S3 -","- C18 H33 Cu I Mo O4 P Ru S3 -","- C72 H132 Cu4 I4 Mo4 O16 P4 Ru4 S12 -","4","1","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0567","","","","0.1447","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111976","37.63","0.02","9.293","0.004","19.393","0.009","90","","110.535","0.005","90","","6351","5","173.2","","","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C18 H34 Cu2 I2 Mo N O5 P Ru S3 -","- C18 H34 Cu2 I2 Mo N O5 P Ru S3 -","- C144 H272 Cu16 I16 Mo8 N8 O40 P8 Ru8 S24 -","8","1","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0534","","","","0.1652","","","","","","0.74","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111977","9.545","0.002","18.288","0.003","31.466","0.006","90","0.0007","97.502","0.0007","90","0.0007","5445.7","1.8","173.2","","","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C15 H27 Cu2 I2 Mo O4 P Ru S3 -","- C15 H27 Cu2 I2 Mo O4 P Ru S3 -","- C120 H216 Cu16 I16 Mo8 O32 P8 Ru8 S24 -","8","1","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0416","","","","0.085","","","","","","0.946","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111978","9.395","0.004","16.327","0.007","19.521","0.009","90","","95.777","0.005","90","","2979","2","223.2","","","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 Cu2 I2 Mo O4 P Ru S3 -","- C18 H33 Cu2 I2 Mo O4 P Ru S3 -","- C72 H132 Cu8 I8 Mo4 O16 P4 Ru4 S12 -","4","1","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0457","","","","0.1188","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111979","7.7179","0.0007","8.5901","0.0008","10.957","0.001","81.449","0.002","80.396","0.002","72.358","0.002","678.82","0.11","100","1","100","1","","","","","","","see text","2","P -1","-P 1","2","","","","- C36 H40 -","- C36 H40 -","- C36 H40 -","1","0.5","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.0749","0.0534","","","0.144","0.1535","","","","","","1.098","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111980","9.523","0.004","12.352","0.005","13.559","0.005","63.298","0.006","77.596","0.007","76.146","0.006","1372.8","1","100","1","100","1","","","","","","","see text","2","P -1","-P 1","2","","","","- C36 H40 -","- C36 H40 -","- C72 H80 -","2","1","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.0768","0.0563","","","0.1651","0.1829","","","","","","1.034","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111981","9.042","0.001","18.855","0.001","6.767","0.001","90","","90","","90","","1153.7","0.2","130","","130","","","","","","","","by syntheses","2","P 21 21 2","P 2 2ab","18","","","","- C32 H32 -","- C32 H32 -","- C64 H64 -","2","0.5","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.0492","0.039","","","0.0932","0.1005","","","","","","1.038","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111982","18.841","0.001","6.9763","0.0004","20.604","0.001","90","","112.187","0.001","90","","2507.7","0.2","100","1","100","1","","","","","","","see text","2","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 -","- C34 H36 -","- C136 H144 -","4","0.5","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.0503","0.0465","","","0.1291","0.1331","","","","","","1.06","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111983","11.736","0.003","16.546","0.004","24.984","0.005","90","","90","","90","","4851","2","297","1","100","1","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","","","","- C32 H32 -","- C32 H32 -","- C256 H256 -","8","1","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.1009","0.0514","","","0.116","0.1391","","","","","","1.002","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111984","11.8625","0.0006","16.636","0.0008","25.452","0.001","90","","90","","90","","5022.8","0.4","100","1","100","1","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","","","","- C34 H36 -","- C34 H36 -","- C272 H288 -","8","1","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.0753","0.0474","","","0.1017","0.1132","","","","","","1.032","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111985","18.161","0.002","7.3428","0.0007","22.132","0.002","90","","113.698","0.002","90","","2702.5","0.5","110","","110","2","","","","","","","see text","2","P 1 2/a 1","-P 2ya","13","","","","- C36 H40 -","- C36 H40 -","- C144 H160 -","4","1","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.0865","0.0507","","","0.1119","0.1278","","","","","","1.02","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111986","13.267","0.0017","21.482","0.003","16.249","0.002","90","","90.439","0.003","90","","4630.9","1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C84 H70 F12 N10 O12 Rh2 S4 -","- C84 H70 F12 N10 O12 Rh2 S4 -","- C168 H140 F24 N20 O24 Rh4 S8 -","2","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0839","0.0758","","","0.1792","0.1846","","","","","","1.181","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111987","13.847","0.0016","14.3366","0.0016","9.9933","0.0011","90","","90","","90","","1983.9","0.4","193","2","193","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H12 F6 N2 O8 Rh2 -","- C12 H12 F6 N2 O8 Rh2 -","- C48 H48 F24 N8 O32 Rh8 -","4","0.5","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0571","0.0541","","","0.1101","0.1113","","","","","","1.331","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111988","11.5271","0.0019","16.631","0.003","12.189","0.002","90","","98.614","0.003","90","","2310.4","0.7","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H36 F6 N6 O10 Rh2 S2 -","- C40 H36 F6 N6 O10 Rh2 S2 -","- C80 H72 F12 N12 O20 Rh4 S4 -","2","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0457","0.0386","","","0.0659","0.0682","","","","","","0.912","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111989","10.5313","0.0013","19.398","0.003","16.449","0.002","90","","108.052","0.002","90","","3194.9","0.7","193","2","193","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C57 H50 Cl2 F9 N9 O11 Rh2 S3 -","- C57 H50 Cl2 F9 N9 O11 Rh2 S3 -","- C114 H100 Cl4 F18 N18 O22 Rh4 S6 -","2","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0303","0.0295","","","0.0791","0.0797","","","","","","1.095","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111990","11.7119","0.0018","14.031","0.002","29.001","0.005","90","","90","","90","","4765.7","1.3","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H64 F6 N4 O13 Rh2 S2 -","- C34 H64 F6 N4 O13 Rh2 S2 -","- C136 H256 F24 N16 O52 Rh8 S8 -","4","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0798","0.0598","","","0.1271","0.1364","","","","","","1.025","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111991","14.2337","0.0014","13.821","0.0015","20.4729","0.0018","90","","91.568","0.002","90","","4026","0.7","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C74 H72 F12 N8 O16 Rh2 S4 -","- C74 H72 F12 N8 O16 Rh2 S4 -","- C148 H144 F24 N16 O32 Rh4 S8 -","2","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.1105","0.0741","","","0.1065","0.1188","","","","","","0.954","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111992","8.2651","0.0019","9.981","0.002","12.202","0.003","90","","97.301","0.004","90","","998.4","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 F6 N2 O8 Rh2 -","- C12 H12 F6 N2 O8 Rh2 -","- C24 H24 F12 N4 O16 Rh4 -","2","0.5","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0637","0.0589","","","0.1029","0.1045","","","","","","1.356","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111993","14.513","0.002","17.419","0.002","17.74","0.003","90","","102.554","0.003","90","","4377.5","1.1","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C78 H69 F12 N15 O12 Rh2 S4 -","- C78 H69 F12 N15 O12 Rh2 S4 -","- C156 H138 F24 N30 O24 Rh4 S8 -","2","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.055","0.0464","","","0.0917","0.0949","","","","","","1.101","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111994","6.104","0.005","9.386","0.005","32.061","0.005","90","","94.516","0.005","90","","1831.1","1.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-anisyl-1,2-diphenyl-4-methylcyclobutanol","","- C24 H24 O2 -","- C24 H24 O2 -","- C96 H96 O8 -","4","1","","Nidhi Singhal; Apurba L. Koner; Prasenjit Mal; Paloth Venugopalan; Werner M. Nau; Jarugu Narasimha Moorthy","Diastereomer-Differentiating Photochemistry of β-Arylbutyrophenones: Yang Cyclization versus Type II Elimination","Journal of the American Chemical Society","2005","127","","14375","14382","10.1021/ja0523643","","","0.71069","MoKα","","0.0423","0.0397","","","0.0951","0.0967","","","","","","1.023","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111995","5.76","0.001","17.916","0.002","19.174","0.004","90","","98.54","0.01","90","","1956.7","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Aplha-methyl-beta-anisyl-gamma-phenylbutyrophenone","","","- C24 H24 O2 -","- C24 H24 O2 -","- C96 H96 O8 -","4","2","","Nidhi Singhal; Apurba L. Koner; Prasenjit Mal; Paloth Venugopalan; Werner M. Nau; Jarugu Narasimha Moorthy","Diastereomer-Differentiating Photochemistry of β-Arylbutyrophenones: Yang Cyclization versus Type II Elimination","Journal of the American Chemical Society","2005","127","","14375","14382","10.1021/ja0523643","","","0.71073","MoKα","","0.1189","0.0793","","","0.2097","0.2333","","","","","","1.013","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111996","28.367","0.006","14.059","0.003","20.14","0.004","90","","94.21","0.03","90","","8010","3","253","2","253","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H45 Cl2 F6 N6 O13.5 Ru2 -","- C23.5 H42 Cl2 F6 N6 O13.5 Ru2 -","- C188 H336 Cl16 F48 N48 O108 Ru16 -","8","1","","Wing-Ping Yip; Wing-Yiu Yu; Nianyong Zhu; Chi-Ming Che","Alkene cis-Dihydroxylation by [(Me3tacn)(CF3CO2)RuVIO2]ClO4 (Me3tacn = 1,4,7-Trimethyl-1,4,7-triazacyclononane): Structural Characterization of [3 + 2] Cycloadducts and Kinetic Studies","Journal of the American Chemical Society","2005","127","","14239","14249","10.1021/ja0528230","","","0.71069","MoKα","","0.0975","0.0693","","","0.2066","0.222","","","","","","0.986","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111997","17.884","0.004","10.427","0.002","14.204","0.003","90","","103.6","0.03","90","","2574.4","1","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H38 Cl F3 N3 O9 Ru -","- C19 H36 Cl F3 N3 O9 Ru -","- C76 H144 Cl4 F12 N12 O36 Ru4 -","4","1","","Wing-Ping Yip; Wing-Yiu Yu; Nianyong Zhu; Chi-Ming Che","Alkene cis-Dihydroxylation by [(Me3tacn)(CF3CO2)RuVIO2]ClO4 (Me3tacn = 1,4,7-Trimethyl-1,4,7-triazacyclononane): Structural Characterization of [3 + 2] Cycloadducts and Kinetic Studies","Journal of the American Chemical Society","2005","127","","14239","14249","10.1021/ja0528230","","","0.71069","MoKα","","0.0819","0.0484","","","0.1154","0.1331","","","","","","0.935","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111998","31.671","0.006","7.705","0.002","20.991","0.004","90","","95.95","0.03","90","","5094.7","1.9","253","2","253","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 Cl F3 N3 O8 Ru -","- C20 H31 Cl F3 N3 O8 Ru -","- C160 H248 Cl8 F24 N24 O64 Ru8 -","8","1","","Wing-Ping Yip; Wing-Yiu Yu; Nianyong Zhu; Chi-Ming Che","Alkene cis-Dihydroxylation by [(Me3tacn)(CF3CO2)RuVIO2]ClO4 (Me3tacn = 1,4,7-Trimethyl-1,4,7-triazacyclononane): Structural Characterization of [3 + 2] Cycloadducts and Kinetic Studies","Journal of the American Chemical Society","2005","127","","14239","14249","10.1021/ja0528230","","","0.71069","MoKα","","0.1209","0.0691","","","0.1743","0.2036","","","","","","0.907","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111999","9.6313","0.0019","13.189","0.003","17.622","0.004","75.25","0.03","88.95","0.03","81.52","0.03","2140.6","0.9","100","2","100","2","","","","","","","synthesized","5","P -1","-P 1","2","[Fe(TPP)(1-MeIm)(CO)].C6H6","","","- C55 H40 Fe N6 O -","- C55 H40 Fe N6 O -","- C110 H80 Fe2 N12 O2 -","2","1","","Nathan J. Silvernail; Arne Roth; Charles E. Schulz; Bruce C. Noll; W. Robert Scheidt","Heme Carbonyls: Environmental Effects on νC-O and Fe-C/C-O Bond Length Correlations","Journal of the American Chemical Society","2005","127","","14422","14433","10.1021/ja053148x","","x-ray","0.71073","MoKα","","0.0615","0.0459","","","0.1155","0.1259","","","","","","1.024","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4112000","13.1961","0.0002","23.4514","0.0003","14.263","0.0002","90","","105.198","0.001","90","","4259.55","0.11","100","2","100","2","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","[Fe(TPP)(2MeHIm)(CO)].C7H8","","","- C56 H42 Fe N6 O -","- C56 H34 Fe N6 O -","- C224 H136 Fe4 N24 O4 -","4","1","","Nathan J. Silvernail; Arne Roth; Charles E. Schulz; Bruce C. Noll; W. Robert Scheidt","Heme Carbonyls: Environmental Effects on νC-O and Fe-C/C-O Bond Length Correlations","Journal of the American Chemical Society","2005","127","","14422","14433","10.1021/ja053148x","","x-ray","0.71073","MoKα","","0.0618","0.0446","","","0.1139","0.1252","","","","","","1.028","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112001","15.0577","0.0008","18.8294","0.001","13.7197","0.0007","90","","102.894","0.001","90","","3791.8","0.3","100","2","100","2","","","","","","","synthesized","5","C 1 2/c 1","-C 2yc","15","[Fe(TPP)(1,2Me~2~Im)(CO)]","","","- C50 H36 Fe N6 O -","- C50 H36 Fe N6 O -","- C200 H144 Fe4 N24 O4 -","4","0.5","","Nathan J. Silvernail; Arne Roth; Charles E. Schulz; Bruce C. Noll; W. Robert Scheidt","Heme Carbonyls: Environmental Effects on νC-O and Fe-C/C-O Bond Length Correlations","Journal of the American Chemical Society","2005","127","","14422","14433","10.1021/ja053148x","","x-ray","0.71073","MoKα","","0.0453","0.0406","","","0.1073","0.1115","","","","","","1.052","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112002","13.1599","0.0005","23.6195","0.0009","14.4695","0.0006","90","","101.561","0.002","90","","4406.3","0.3","100","2","100","2","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","[Fe(TPP)(1,2DiMeIm)(CO)].C7H8","","","- C56.77 H39.46 Fe N6 O -","- C56.772 H39.456 Fe N6 O -","- C227.088 H157.824 Fe4 N24 O4 -","4","1","","Nathan J. Silvernail; Arne Roth; Charles E. Schulz; Bruce C. Noll; W. Robert Scheidt","Heme Carbonyls: Environmental Effects on νC-O and Fe-C/C-O Bond Length Correlations","Journal of the American Chemical Society","2005","127","","14422","14433","10.1021/ja053148x","","","0.71073","MoKα","","0.0675","0.0487","","","0.1473","0.1559","","","","","","1.12","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112003","15.1322","0.0009","19.277","0.0012","30.218","0.0018","90","","99.309","0.001","90","","8698.6","0.9","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H29 B N6 O P2 Ru -","- C15 H29 B N6 O P2 Ru -","- C240 H464 B16 N96 O16 P32 Ru16 -","16","4","","Yuee Feng; Marty Lail; Khaldoon A. Barakat; Thomas R. Cundari; T. Brent Gunnoe; Jeffrey L. Petersen","Evidence for the Net Addition of Arene C-H Bonds across a Ru(II)-Hydroxide Bond","Journal of the American Chemical Society","2005","127","","14174","14175","10.1021/ja054101e","","","0.71073","MoKα","","0.0899","0.049","","","0.1019","0.1181","","","","","","0.98","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112004","11.8975","0.0008","12.4108","0.0008","12.7617","0.0008","97.33","0.001","102.134","0.001","104.13","0.001","1754.4","0.2","100","1","100","1","","","","","","","see text","4","P -1","-P 1","2","","","","- C44 H50 B Sc -","- C44 H50 B Sc -","- C88 H100 B2 Sc2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.0666","0.0477","","","0.1108","0.1193","","","","","","1.022","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112005","9.951","0.001","17.027","0.002","12.025","0.001","90","","93.335","0.002","90","","2034","0.4","100","1","100","1","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C44 H30 B F20 Sc -","- C44 H30 B F20 Sc -","- C88 H60 B2 F40 Sc2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1043","0.0645","","","0.1587","0.1799","","","","","","1.037","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112006","13.3636","0.0007","15.06","0.0007","17.7873","0.0009","97.131","0.001","90.604","0.001","91.97","0.001","3549.6","0.3","100","1","100","1","","","","","","","see text","4","P -1","-P 1","2","","","","- C44 H50 B Ti -","- C44 H50 B Ti -","- C176 H200 B4 Ti4 -","4","2","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1079","0.0532","","","0.1074","0.1265","","","","","","0.986","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112007","9.975","0.0008","17.053","0.001","12.0218","0.0009","90","","93.967","0.001","90","","2040.1","0.3","100","1","100","1","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C44 H30 B F20 Ti -","- C44 H30 B F20 Ti -","- C88 H60 B2 F40 Ti2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1286","0.0941","","","0.2505","0.278","","","","","","1.04","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112008","13.3504","0.0007","15.1039","0.0008","17.7288","0.0009","96.341","0.001","90.936","0.001","92.728","0.001","3548.2","0.3","100","1","100","1","","","","","","","see text","4","P -1","-P 1","2","","","","- C44 H50 B V -","- C44 H50 B V -","- C176 H200 B4 V4 -","4","2","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.0811","0.0583","","","0.1498","0.164","","","","","","1.035","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112009","11.1664","0.0007","12.8945","0.0008","15.671","0.001","98.4","0.001","109.737","0.001","102.362","0.001","2015.2","0.2","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C44 H30 B F20 V -","- C44 H30 B F20 V -","- C88 H60 B2 F40 V2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.044","0.0394","","","0.1052","0.1084","","","","","","1.021","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112010","10.0041","0.0005","30.858","0.002","18.22","0.001","90","","103.678","0.001","90","","5465.1","0.5","100","1","100","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H70 B F4 Sc -","- C68 H70 B F4 Sc -","- C272 H280 B4 F16 Sc4 -","4","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.0938","0.0551","","","0.1222","0.1388","","","","","","1.016","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112011","11.992","0.001","13.649","0.002","14.883","0.001","90.95","0.01","109.499","0.008","90.865","0.009","2295.5","0.4","130","","130","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C56 H60 B F2 Ti -","- C56 H60 B F2 Ti -","- C112 H120 B2 F4 Ti2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","","0.0536","","","0.1407","","","","","","","1.115","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112012","10.574","0.001","15.127","0.002","15.421","0.002","70.485","0.002","84.384","0.002","78.187","0.002","2274.5","0.5","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C50 H35 B F21 Ti -","- C50 H35 B F21 Ti -","- C100 H70 B2 F42 Ti2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1342","0.1016","","","0.2974","0.3137","","","","","","1.085","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112013","19.286","0.001","21.404","0.001","20.393","0.001","90","","90.399","0.001","90","","8418","0.7","100","1","100","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 B F2 Sc -","- C50 H54 B F2 Sc -","- C400 H432 B8 F16 Sc8 -","8","2","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1304","0.0707","","","0.179","0.2118","","","","","","1.03","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112014","12.1741","0.0006","13.8252","0.0007","14.7794","0.0007","91.177","0.001","109.854","0.001","93.221","0.001","2333.9","0.2","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C56 H58 B F4 Ti -","- C56 H58 B F4 Ti -","- C112 H116 B2 F8 Ti2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.0868","0.0603","","","0.1513","0.1676","","","","","","1.021","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112015","15.8365","0.0007","19.0317","0.0009","19.9246","0.0009","90","","91.706","0.001","90","","6002.5","0.5","100","1","100","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H63 B F20 Sc2 -","- C65 H63 B F20 Sc2 -","- C260 H252 B4 F80 Sc8 -","4","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1467","0.0806","","","0.19","0.2265","","","","","","1.018","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112016","10.4868","0.0005","21.575","0.001","18.957","0.001","90","","95.806","0.001","90","","4267.1","0.4","90","","90","2","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 B D16 O2 Sc -","- C52 H50 B D16 O2 Sc -","- C208 H200 B4 D64 O8 Sc4 -","4","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1046","0.0557","","","0.1119","0.1295","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112017","17.995","0.002","13.483","0.001","18.008","0.002","90","","90.06","0.008","90","","4369.2","0.8","130","","130","1","","","","","","","see text","5","P 1 2/c 1","-P 2yc","13","","","","- C52 H66 B O2 Ti -","- C52 H64.776 B O2 Ti -","- C208 H259.104 B4 O8 Ti4 -","4","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","","0.1322","","","0.0535","","","","","","","1.025","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112018","10.3736","0.0006","11.7889","0.0007","16.45","0.001","92.277","0.001","103.375","0.001","92.858","0.001","1952","0.2","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C48 H58 B O V -","- C48 H58 B O V -","- C96 H116 B2 O2 V2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.0413","0.0373","","","0.0991","0.1021","","","","","","1.053","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112019","12.479","0.004","8.2482","0.0002","24.018","0.008","90","","91.22","0.0009","90","","2471.6","1.1","293","2","293","2","","","101300","","","","synthesized by our group","2","P 1 21/c 1","-P 2ybc","14","Trans-DPDSB","Trans,trans-2,5-Diphenyl-1,4-distyrylbenzene","","- C34 H26 -","- C34 H26 -","- C136 H104 -","4","1","","Zengqi Xie; Bing Yang; Feng Li; Gang Cheng; Linlin Liu; Guangdi Yang; Hai Xu; Ling Ye; Muddasir Hanif; Shiyong Liu; Dongge Ma; Yuguang Ma","Cross Dipole Stacking in the Crystal of Distyrylbenzene Derivative: The Approach toward High Solid-State Luminescence Efficiency","Journal of the American Chemical Society","2005","127","","14152","14153","10.1021/ja054661d","","x-ray","0.71073","MoKα","","0.2","0.0496","","","0.0938","0.1507","","","","","","0.979","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112020","18.5416","0.0009","15.6225","0.001","7.8136","0.0003","90","","90","","90","","2263.3","0.2","193","2","193","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C58 H50 N6 O Ti3 -","- C58 H50 N6 O Ti3 -","- C116 H100 N12 O2 Ti6 -","2","0.5","","Ingmar M. Piglosiewicz; Ruediger Beckhaus; Wolfgang Saak; Detlev Haase","Dehydroaromatization of Quinoxalines: One-Step Syntheses of Trinuclear 1,6,7,12,13,18-Hexaazatrinaphthylene Titanium Complexes","Journal of the American Chemical Society","2005","127","","14190","14191","10.1021/ja054740p","","","0.71073","MoKα","","0.0983","0.0457","","","0.0712","0.083","","","","","","0.796","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112021","16.5801","0.0007","15.5185","0.0006","7.8465","0.0003","90","","92.691","0.005","90","","2016.66","0.14","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 Ti -","- C28 H22 N2 Ti -","- C112 H88 N8 Ti4 -","4","1","","Ingmar M. Piglosiewicz; Ruediger Beckhaus; Wolfgang Saak; Detlev Haase","Dehydroaromatization of Quinoxalines: One-Step Syntheses of Trinuclear 1,6,7,12,13,18-Hexaazatrinaphthylene Titanium Complexes","Journal of the American Chemical Society","2005","127","","14190","14191","10.1021/ja054740p","","","0.71073","MoKα","","0.0505","0.029","","","0.0591","0.0634","","","","","","0.902","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112022","12.3147","0.0012","13.5887","0.0014","13.6431","0.0014","95.234","0.005","94.864","0.005","99.746","0.005","2229","0.4","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H54 Co N4 O6 -","- C53 H54 Co N4 O6 -","- C106 H108 Co2 N8 O12 -","2","1","","Giannis S. Papaefstathiou; Tomislav Friščić; Leonard R. MacGillivray","Design and Construction of a 2D Metal Organic Framework with Multiple Cavities: A Nonregular Net with a Paracyclophane that Codes for Multiply Fused Nodes","Journal of the American Chemical Society","2005","127","","14160","14161","10.1021/ja054841n","","","0.7107","MoKα","","0.1959","0.0883","","","0.1762","0.2091","","","","","","0.944","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112023","29.601","0.003","29.601","0.003","3.4496","0.0003","90","","90","","90","","3022.6","0.5","293","2","293","2","","","","","","","","6","I 41/a m d :2","-I 4bd 2","141","","","","- C8 H25 Ag6 Cl N16 O7 -","- C8 H25.12 Ag6 Cl N16 O7.16 -","- C32 H100.48 Ag24 Cl4 N64 O28.64 -","4","0.125","","Jie-Peng Zhang; Yan-Yong Lin; Wei-Xiong Zhang; Xiao-Ming Chen","Temperature- or Guest-Induced Drastic Single-Crystal-to-Single-Crystal Transformations of a Nanoporous Coordination Polymer","Journal of the American Chemical Society","2005","127","","14162","14163","10.1021/ja054913a","","","0.71073","MoKα","","0.0602","0.0507","","","0.1247","0.1318","","","","","","1.006","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112024","3.4099","0.0002","39.805","0.003","43.607","0.003","90","","90","","90","","5918.8","0.7","103","2","103","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C8 H25 Ag6 Cl N16 O7 -","- C8 H25 Ag6 Cl N16 O7 -","- C64 H200 Ag48 Cl8 N128 O56 -","8","0.25","","Jie-Peng Zhang; Yan-Yong Lin; Wei-Xiong Zhang; Xiao-Ming Chen","Temperature- or Guest-Induced Drastic Single-Crystal-to-Single-Crystal Transformations of a Nanoporous Coordination Polymer","Journal of the American Chemical Society","2005","127","","14162","14163","10.1021/ja054913a","","","0.71073","MoKα","","0.0725","0.0668","","","0.1637","0.1677","","","","","","1.034","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112025","19.598","0.002","19.598","0.002","3.5015","0.0004","90","","90","","90","","1344.9","0.2","293","2","293","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C8 H17 Ag6 Cl N16 O3 -","- C8 H17 Ag6 Cl N16 O3 -","- C16 H34 Ag12 Cl2 N32 O6 -","2","0.25","","Jie-Peng Zhang; Yan-Yong Lin; Wei-Xiong Zhang; Xiao-Ming Chen","Temperature- or Guest-Induced Drastic Single-Crystal-to-Single-Crystal Transformations of a Nanoporous Coordination Polymer","Journal of the American Chemical Society","2005","127","","14162","14163","10.1021/ja054913a","","","0.71073","MoKα","","0.123","0.0879","","","0.2324","0.2493","","","","","","1.025","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112026","40.7","0.1","6.92","0.02","13.13","0.04","90","","107.96","0.04","90","","3518","17","293.1","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C11 H6 Cl2 Fe0.5 O3 S6 -","- C11 H6 Cl2 Fe0.5 O3 S6 -","- C88 H48 Cl16 Fe4 O24 S48 -","8","1","","Hideki Fujiwara; Kenji Wada; Takashi Hiraoka; Toshiki Hayashi; Toyonari Sugimoto; Hiroyuki Nakazumi; Keiichi Yokogawa; Masayasu Teramura; Syuma Yasuzuka; Keizo Murata; Takehiko Mori","Stable Metallic Behavior and Antiferromagnetic Ordering of Fe(III) dSpins in (EDO-TTFVO)2.FeCl4","Journal of the American Chemical Society","2005","127","","14166","14167","10.1021/ja055263d","","","0.7107","MoKα","","","0.059","","","","0.07","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112027","8.441","0.002","11.113","0.003","11.41","0.004","90","","90","","90","","1070.3","0.5","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Hélène Lebel; Kim Huard; Sylvain Lectard","N-Tosyloxycarbamates as a Source of Metal Nitrenes: Rhodium-Catalyzed C-H Insertion and Aziridination Reactions","Journal of the American Chemical Society","2005","127","","14198","14199","10.1021/ja0552850","","","1.54178","CuKα","","0.0336","0.0322","","","0.0932","0.0939","","","","","","1.072","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112028","7.7332","0.0002","19.3491","0.0005","23.5497","0.0006","90","","93.034","0.002","90","","3518.81","0.16","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H21.2 B Cl0.8 F15 N2 O2 Pt -","- C34 H21.2 B Cl0.8 F15 N2 O2 Pt -","- C136 H84.8 B4 Cl3.2 F60 N8 O8 Pt4 -","4","1","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.0735","0.0457","","","0.1175","0.1282","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112029","37.1201","0.0015","7.3349","0.0003","23.0216","0.0009","90","","106.85","0.002","90","","5999","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H13 B F15 N3 O2 Pt -","- C30 H13 B F15 N3 O2 Pt -","- C240 H104 B8 F120 N24 O16 Pt8 -","8","1","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.063","0.0402","","","0.0943","0.104","","","","","","1.029","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112030","11.3484","0.0004","20.7294","0.0006","27.347","0.0009","90","","95.87","0.001","90","","6399.5","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H14 B F15 N2 O2 Pt -","- C35 H14 B F15 N2 O2 Pt -","- C280 H112 B8 F120 N16 O16 Pt8 -","8","2","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.1239","0.0599","","","0.1309","0.1557","","","","","","0.994","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112031","8.586","0.0001","17.7719","0.0004","22.8225","0.0006","90","","91.922","0.001","90","","3480.52","0.13","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H18 B F15 N2 O2 Pt -","- C37 H18 B F15 N2 O2 Pt -","- C148 H72 B4 F60 N8 O8 Pt4 -","4","1","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.057","0.0354","","","0.078","0.0846","","","","","","1.026","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112032","8.566","0.0002","17.8544","0.0004","22.6002","0.0006","90","","90.04","0.002","90","","3456.49","0.14","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H20 B F15 N2 O Pt -","- C37 H20 B F15 N2 O Pt -","- C148 H80 B4 F60 N8 O4 Pt4 -","4","1","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.0566","0.0356","","","0.0813","0.0873","","","","","","1.056","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112033","14.6798","0.0005","20.7799","0.0006","25.5737","0.0008","90","","91.802","0.002","90","","7797.3","0.4","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H21 B Cl3 F15 N2 O2 Pt -","- C38.5 H21 B Cl3 F15 N2 O2 Pt -","- C308 H168 B8 Cl24 F120 N16 O16 Pt8 -","8","2","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.1233","0.0605","","","0.138","0.163","","","","","","0.956","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112034","10.4214","0.0003","15.1698","0.0004","22.6241","0.0004","90","","96.695","0.002","90","","3552.27","0.15","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H17 B Cl F15 N2 O3 Pt -","- C36.5 H17 B Cl F15 N2 O3 Pt -","- C146 H68 B4 Cl4 F60 N8 O12 Pt4 -","4","1","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.0499","0.0353","","","0.0845","0.0899","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112035","10.6163","0.0004","15.4527","0.0006","22.3982","0.001","90","","92.257","0.002","90","","3671.6","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H19 B Cl F15 N2 O4 Pt -","- C37.5 H19 B Cl F15 N2 O4 Pt -","- C150 H76 B4 Cl4 F60 N8 O16 Pt4 -","4","1","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.0688","0.0416","","","0.0844","0.0932","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112036","10.4892","0.0003","15.4986","0.0005","22.3102","0.0006","90","","95.735","0.002","90","","3608.77","0.18","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H19 B Cl F15 N2 O3 Pt -","- C37.5 H19 B Cl F15 N2 O3 Pt -","- C150 H76 B4 Cl4 F60 N8 O12 Pt4 -","4","1","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.0858","0.068","","","0.169","0.1842","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112037","22.4394","0.0006","8.6159","0.0004","12.873","0.0003","90","","90","","90","","2488.81","0.15","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H31 F6 O4 P Ru -","- C23 H31 F6 O4 P Ru -","- C92 H124 F24 O16 P4 Ru4 -","4","1","","Christina M. Older; Robert McDonald; Jeffrey M. Stryker","Unprecedented Coordination Modes and Demetalation Pathways for Unbridged Polyenyl Ligands. Ruthenium η1,η4-Cycloheptadienyl Complexes from Allyl/Alkyne Cycloaddition","Journal of the American Chemical Society","2005","127","","14202","14203","10.1021/ja0556023","","","1.54178","CuKα","","0.0402","0.039","","","0.1064","0.1082","","","","","","1.074","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112038","11.779","0.002","19.272","0.006","21.152","0.007","90","","92.46","0.02","90","","4797","2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H59 B Cl4 O4 Ru -","- C51 H59 B Cl4 O4 Ru -","- C204 H236 B4 Cl16 O16 Ru4 -","4","1","","Christina M. Older; Robert McDonald; Jeffrey M. Stryker","Unprecedented Coordination Modes and Demetalation Pathways for Unbridged Polyenyl Ligands. Ruthenium η1,η4-Cycloheptadienyl Complexes from Allyl/Alkyne Cycloaddition","Journal of the American Chemical Society","2005","127","","14202","14203","10.1021/ja0556023","","","0.71073","MoKα","","0.1983","0.0975","","","0.2685","0.2227","","","","","","1.027","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112039","18.539","0.002","17.513","0.0019","16.6622","0.0018","90","","90","","90","","5409.8","1","193","2","193","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H35 F3 O7 Ru S -","- C26 H35 F3 O7 Ru S -","- C208 H280 F24 O56 Ru8 S8 -","8","1","","Christina M. Older; Robert McDonald; Jeffrey M. Stryker","Unprecedented Coordination Modes and Demetalation Pathways for Unbridged Polyenyl Ligands. Ruthenium η1,η4-Cycloheptadienyl Complexes from Allyl/Alkyne Cycloaddition","Journal of the American Chemical Society","2005","127","","14202","14203","10.1021/ja0556023","","","0.71073","MoKα","","0.0918","0.0814","","","0.1674","0.1714","","","","","","1.365","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112040","8.9763","0.0005","14.51","0.0008","14.7824","0.0008","62.162","0.0011","76.2329","0.001","73.4473","0.0009","1619.42","0.16","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H36 I6 Ru2 -","- C24 H36 I6 Ru2 -","- C48 H72 I12 Ru4 -","2","1","","Christina M. Older; Robert McDonald; Jeffrey M. Stryker","Unprecedented Coordination Modes and Demetalation Pathways for Unbridged Polyenyl Ligands. Ruthenium η1,η4-Cycloheptadienyl Complexes from Allyl/Alkyne Cycloaddition","Journal of the American Chemical Society","2005","127","","14202","14203","10.1021/ja0556023","","","0.71073","MoKα","","0.0445","0.0358","","","0.0881","0.0919","","","","","","0.996","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112041","7.3924","0.0004","9.3336","0.0005","11.8117","0.0007","90","","106.229","0.001","90","","782.51","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","CALRP04","","","- C17 H17 Br O5 -","- C17 H17 Br O5 -","- C34 H34 Br2 O10 -","2","1","","Michael A. Calter; Ryan M. Phillips; Christine Flaschenriem","Catalytic, Asymmetric, ""Interrupted"" Feist-Bénary Reactions","Journal of the American Chemical Society","2005","127","","14566","14567","10.1021/ja055752d","","","0.71073","MoKα","","0.0264","0.0234","","","0.0588","0.0678","","","","","","1.101","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112042","10.4294","0.0016","27.562","0.004","9.3218","0.0013","90","","99.69","0.01","90","","2641.4","0.7","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 B F4 Os P -","- C28 H34 B F4 Os P -","- C112 H136 B4 F16 Os4 P4 -","4","1","","Charles Edwin Webster; Christopher L. Gross; Dianna M. Young; Gregory S. Girolami; Arthur J. Schultz; Michael B. Hall; Juergen Eckert","Electronic and Steric Effects on Molecular Dihydrogen Activation in [Cp*OsH4(L)]+ (L = PPh3, AsPh3, and PCy3)","Journal of the American Chemical Society","2005","127","","15091","15101","10.1021/ja052336k","powder diffraction","","","","","","","","","","","","","1.66","","","","","","","has coordinates,has Fobs","178891","2020-10-21","18:00:00",""
"4112043","10.591","0.0016","27.769","0.004","9.292","0.0013","90","","99.61","0.01","90","","2694.4","0.7","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 As B F4 Os -","- C28 H34 As B F4 Os -","- C112 H136 As4 B4 F16 Os4 -","4","1","","Charles Edwin Webster; Christopher L. Gross; Dianna M. Young; Gregory S. Girolami; Arthur J. Schultz; Michael B. Hall; Juergen Eckert","Electronic and Steric Effects on Molecular Dihydrogen Activation in [Cp*OsH4(L)]+ (L = PPh3, AsPh3, and PCy3)","Journal of the American Chemical Society","2005","127","","15091","15101","10.1021/ja052336k","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","178891","2020-10-21","18:00:00",""
"4112044","8.8096","0.0016","9.6314","0.0018","17.1441","0.0032","94.185","0.016","90.014","0.015","101.385","0.016","1422.1","0.5","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H52 B F4 Os P -","- C28 H52 B F4 Os P -","- C56 H104 B2 F8 Os2 P2 -","2","1","","Charles Edwin Webster; Christopher L. Gross; Dianna M. Young; Gregory S. Girolami; Arthur J. Schultz; Michael B. Hall; Juergen Eckert","Electronic and Steric Effects on Molecular Dihydrogen Activation in [Cp*OsH4(L)]+ (L = PPh3, AsPh3, and PCy3)","Journal of the American Chemical Society","2005","127","","15091","15101","10.1021/ja052336k","powder diffraction","","","","","","","","","","","","","1.72","","","","","","","has coordinates,has Fobs","178891","2020-10-21","18:00:00",""
"4112045","8.1786","0.0005","9.1263","0.0005","28.1355","0.0017","90","","91.539","0.001","90","","2099.3","0.2","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 F3 I Ir P -","- C17.5 H24 F3 I Ir P -","- C70 H96 F12 I4 Ir4 P4 -","4","1","","Russell P. Hughes; Roman B. Laritchev; Jian Yuan; James A. Golen; Adam N. Rucker; Arnold L. Rheingold","A Simple Route to Difluorocarbene and Perfluoroalkylidene Complexes of Iridium","Journal of the American Chemical Society","2005","127","","15020","15021","10.1021/ja055166k","","","0.71073","MoKα","","0.0409","0.0332","","","0.0847","0.0879","","","","","","1.012","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112046","12.5004","0.0018","13.6655","0.0019","10.2598","0.0015","90","","91.923","0.002","90","","1751.6","0.4","218","2","218","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 F2 I Ir P -","- C14 H25 F2 I Ir P -","- C56 H100 F8 I4 Ir4 P4 -","4","1","","Russell P. Hughes; Roman B. Laritchev; Jian Yuan; James A. Golen; Adam N. Rucker; Arnold L. Rheingold","A Simple Route to Difluorocarbene and Perfluoroalkylidene Complexes of Iridium","Journal of the American Chemical Society","2005","127","","15020","15021","10.1021/ja055166k","","","0.71073","MoKα","","0.0299","0.0277","","","0.0745","0.0757","","","","","","1.06","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112047","13.5264","0.0008","13.6093","0.0009","14.2408","0.0008","90","","99.179","0.005","90","","2587.9","0.3","193","2","193","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H42 N8 P2 -","- C22 H42 N8 P2 -","- C88 H168 N32 P8 -","4","0.5","","Volker Raab; Ekaterina Gauchenova; Alexei Merkoulov; Klaus Harms; Jörg Sundermeyer; Borislav Kovačević; Zvonimir B. Maksić","1,8-Bis(hexamethyltriaminophosphazenyl)naphthalene, HMPN: A Superbasic Bisphosphazene ""Proton Sponge""","Journal of the American Chemical Society","2005","127","","15738","15743","10.1021/ja052647v","","x-ray","0.71073","MoKα","","0.0367","0.029","","","0.0821","0.0849","","","","","","1.045","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112048","29.5851","0.0017","8.2464","0.0003","25.6284","0.0013","90","","104.096","0.004","90","","6064.3","0.5","193","2","193","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H43 F6 N8 P3 -","- C22 H43 F6 N8 P3 -","- C176 H344 F48 N64 P24 -","8","1","","Volker Raab; Ekaterina Gauchenova; Alexei Merkoulov; Klaus Harms; Jörg Sundermeyer; Borislav Kovačević; Zvonimir B. Maksić","1,8-Bis(hexamethyltriaminophosphazenyl)naphthalene, HMPN: A Superbasic Bisphosphazene ""Proton Sponge""","Journal of the American Chemical Society","2005","127","","15738","15743","10.1021/ja052647v","","x-ray","0.71069","MoKα","","0.0709","0.0403","","","0.0907","0.0996","","","","","","0.939","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112049","16.804","0.0019","16.7175","0.0019","28.929","0.003","90","","91.455","0.002","90","","8124.1","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C149 H186 Ce8 O15.25 Se18 -","- C148.856 H185.712 Ce8 O15.214 Se18 -","- C297.712 H371.424 Ce16 O30.428 Se36 -","2","0.5","","Santanu Banerjee; Louise Huebner; Michael D. Romanelli; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Oxoselenido Clusters of the Lanthanides: Rational Introduction of Oxo Ligands and Near-IR Emission from Nd(III)","Journal of the American Chemical Society","2005","127","","15900","15906","10.1021/ja054261q","","","0.71073","MoKα","","0.0718","0.0448","","","0.115","0.124","","","","","","1.076","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112050","16.8034","0.0015","16.7324","0.0015","28.875","0.003","90","","91.403","0.002","90","","8116.1","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C148.96 H185.9 O15.24 Pr8 Se18 -","- C148.952 H185.904 O15.238 Pr8 Se18 -","- C297.904 H371.808 O30.476 Pr16 Se36 -","2","0.5","","Santanu Banerjee; Louise Huebner; Michael D. Romanelli; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Oxoselenido Clusters of the Lanthanides: Rational Introduction of Oxo Ligands and Near-IR Emission from Nd(III)","Journal of the American Chemical Society","2005","127","","15900","15906","10.1021/ja054261q","","","0.71073","MoKα","","0.0609","0.0389","","","0.0913","0.0997","","","","","","0.856","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112051","17.126","0.0011","16.9406","0.0011","28.7584","0.0018","90","","91.299","0.001","90","","8341.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C152 H192 Nd8 O16 Se18 -","- C152 H192 Nd8 O16 Se18 -","- C304 H384 Nd16 O32 Se36 -","2","0.5","","Santanu Banerjee; Louise Huebner; Michael D. Romanelli; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Oxoselenido Clusters of the Lanthanides: Rational Introduction of Oxo Ligands and Near-IR Emission from Nd(III)","Journal of the American Chemical Society","2005","127","","15900","15906","10.1021/ja054261q","","","0.71073","MoKα","","0.0722","0.0404","","","0.0926","0.1006","","","","","","1.025","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112052","17.883","0.006","21.011","0.007","22.611","0.008","90","","102.181","0.006","90","","8305","5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C140.9 H169.81 O13.22 Se18 Sm8 -","- C140.904 H169.808 O13.226 Se18 Sm8 -","- C281.808 H339.616 O26.452 Se36 Sm16 -","2","0.5","","Santanu Banerjee; Louise Huebner; Michael D. Romanelli; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Oxoselenido Clusters of the Lanthanides: Rational Introduction of Oxo Ligands and Near-IR Emission from Nd(III)","Journal of the American Chemical Society","2005","127","","15900","15906","10.1021/ja054261q","","","0.71073","MoKα","","0.0638","0.0385","","","0.0958","0.1023","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112053","14.3169","0.0003","21.9313","0.0004","33.613","0.0007","90","","99.536","0.001","90","","10408.2","0.4","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49.27 H65 Cl5.95 N2 O2.11 P Ru -","- C49.2735 H65 Cl5.948 N2 O2.113 P Ru -","- C394.188 H520 Cl47.584 N16 O16.904 P8 Ru8 -","8","1","","Brandon R. Galan; Milan Gembicky; Paulina M. Dominiak; Jerome B. Keister; Steven T. Diver","Carbon Monoxide-Promoted Carbene Insertion into the Aryl Substituent of an N-Heterocyclic Carbene Ligand: Buchner Reaction in a Ruthenium Carbene Complex","Journal of the American Chemical Society","2005","127","","15702","15703","10.1021/ja0545618","","","0.71073","MoKα","","0.0381","0.0341","","","0.0833","0.0862","","","","","","1.04","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112054","37.7428","0.0008","17.4293","0.0004","14.3941","0.0003","90","","102.792","0.001","90","","9233.9","0.3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C183 H274 Cl8 N8 O13 P4 Ru4 -","- C183 H274 Cl8 N8 O13 P4 Ru4 -","- C366 H548 Cl16 N16 O26 P8 Ru8 -","2","0.25","","Brandon R. Galan; Milan Gembicky; Paulina M. Dominiak; Jerome B. Keister; Steven T. Diver","Carbon Monoxide-Promoted Carbene Insertion into the Aryl Substituent of an N-Heterocyclic Carbene Ligand: Buchner Reaction in a Ruthenium Carbene Complex","Journal of the American Chemical Society","2005","127","","15702","15703","10.1021/ja0545618","","","0.71073","MoKα","","0.0395","0.0294","","","0.0686","0.0749","","","","","","1.106","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112055","7.584","0.0002","10.0367","0.0003","12.1367","0.0004","90","","105.843","0.002","90","","888.73","0.05","233","2","233","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Fe2 N2 -","- C22 H20 Fe2 N2 -","- C44 H40 Fe4 N4 -","2","0.5","","Antonio Caballero; Rosario Martínez; Vega Lloveras; Imma Ratera; José Vidal-Gancedo; Klaus Wurst; Alberto Tárraga; Pedro Molina; Jaume Veciana","Highly Selective Chromogenic and Redox or Fluorescent Sensors of Hg2+ in Aqueous Environment Based on 1,4-Disubstituted Azines","Journal of the American Chemical Society","2005","127","","15666","15667","10.1021/ja0545766","","","0.71073","MoKα","","0.0246","0.0226","","","0.0612","0.0626","","","","","","1.081","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112056","7.9113","0.001","10.7582","0.0016","13.113","0.002","83.553","0.018","79.032","0.017","80.968","0.016","1078.2","0.3","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 N2 O4.5 -","- C24 H16 N2 O4.5 -","- C48 H32 N4 O9 -","2","1","","Julien Leclaire; Rodolphe Dagiral; Suzanne Fery-Forgues; Yannick Coppel; Bruno Donnadieu; Anne-Marie Caminade; Jean-Pierre Majoral","Octasubstituted Metal-Free Phthalocyanine as Core of Phosphorus Dendrimers: A Probe for the Properties of the Internal Structure","Journal of the American Chemical Society","2005","127","","15762","15770","10.1021/ja054797b","","","0.71073","MoKα","","0.0961","0.058","","","0.1551","0.1752","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112057","9.0468","0.0014","10.5152","0.0016","10.7334","0.0016","110.064","0.002","95.696","0.003","91.331","0.003","952.6","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","04108","","","- C38 H30 F6 Fe N6 O8 S2 -","- C38 H30 F6 Fe N6 O8 S2 -","- C38 H30 F6 Fe N6 O8 S2 -","1","0.5","","Paul D. Oldenburg; Albert A. Shteinman; Lawrence Que","Iron-Catalyzed Olefincis-Dihydroxylation Using a Bio-Inspired N,N,O-Ligand","Journal of the American Chemical Society","2005","127","","15672","15673","10.1021/ja054947i","","","0.71073","MoKα","","0.0534","0.0406","","","0.08","0.0842","","","","","","1","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112058","19.388","0.006","7.897","0.002","24.479","0.009","90","","91.407","0.01","90","","3747","2","105","","105","","","","","","","","local laboratory","3","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H15 O7.5 -","- C23.5 H12 O7.5 -","- C188 H96 O60 -","8","1","","Weihua Wang; Oleksandr Rusin; Xiangyang Xu; Kyu Kwang Kim; Jorge O. Escobedo; Sayo O. Fakayode; Kristin A. Fletcher; Mark Lowry; Corin M. Schowalter; Candace M. Lawrence; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","Detection of Homocysteine and Cysteine","Journal of the American Chemical Society","2005","127","","15949","15958","10.1021/ja054962n","","","0.71073","MoKα","","0.12","0.058","","","0.119","0.141","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112059","7.891","0.006","21.304","0.015","9.977","0.008","90","","104.8","0.03","90","","1622","2","105","","105","","","","","","","","local laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 O6 -","- C21 H12 O6 -","- C84 H48 O24 -","4","1","","Weihua Wang; Oleksandr Rusin; Xiangyang Xu; Kyu Kwang Kim; Jorge O. Escobedo; Sayo O. Fakayode; Kristin A. Fletcher; Mark Lowry; Corin M. Schowalter; Candace M. Lawrence; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","Detection of Homocysteine and Cysteine","Journal of the American Chemical Society","2005","127","","15949","15958","10.1021/ja054962n","","","0.71073","MoKα","","0.235","0.088","","","0.202","0.269","","","","","","0.966","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112060","25.478","0.003","25.873","0.003","26.538","0.003","90","","90","","90","","17494","4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(CB8)2*(ADMHM)2*(I,Cl)4*34H2O","(CB8)2*(ADMHM)2*(I,Cl)4*34H2O","","- C128 H231.26 Cl0.67 I3.33 N68 O66.3 -","- C128 H160 Cl0.668 I3.332 N68 O66.631 -","- C512 H640 Cl2.672 I13.328 N272 O266.524 -","4","1","","Simin Liu; Christian Ruspic; Pritam Mukhopadhyay; Sriparna Chakrabarti; Peter Y. Zavalij; Lyle Isaacs","The Cucurbit[n]uril Family: Prime Components for Self-Sorting Systems","Journal of the American Chemical Society","2005","127","","15959","15967","10.1021/ja055013x","","","0.71073","MoKα","","0.1367","0.0862","","","0.1937","0.2111","","","","","","1.001","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112061","12.516","0.0012","27.964","0.003","25.423","0.002","90","","90","","90","","8898","1.5","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","CB8 diammonium diodide hydrate","CB8 diammonium diodide hydrate","","- C65 H96.54 I2.41 N39 O30.56 -","- C65 H69 I2.4095 N39 O30.5613 -","- C260 H276 I9.638 N156 O122.245 -","4","1","","Simin Liu; Christian Ruspic; Pritam Mukhopadhyay; Sriparna Chakrabarti; Peter Y. Zavalij; Lyle Isaacs","The Cucurbit[n]uril Family: Prime Components for Self-Sorting Systems","Journal of the American Chemical Society","2005","127","","15959","15967","10.1021/ja055013x","","","0.71073","MoKα","","0.09","0.0638","","","0.138","0.1481","","","","","","1","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112062","7.8092","0.0012","10.3674","0.0006","15.709","0.003","90","","90.967","0.012","90","","1271.6","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H16 B9 Co S -","- C7 H16 B9 Co S -","- C28 H64 B36 Co4 S4 -","4","2","","José Giner Planas; Clara Viñas; Francesc Teixidor; Aleix Comas-Vives; Gregori Ujaque; Agustí Lledós; Mark E. Light; Michael B. Hursthouse","Self-Assembly of Mercaptane-Metallacarborane Complexes by an Unconventional Cooperative Effect: A C-H...S-H...H-B Hydrogen/Dihydrogen Bond Interaction","Journal of the American Chemical Society","2005","127","","15976","15982","10.1021/ja055210w","","","0.71073","MoKα","","0.0531","0.0425","","","0.0966","0.1023","","","","","","1.02","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112063","9.4347","0.0008","32.551","0.003","28.94","0.002","90","","90","","90","","8887.7","1.3","129","2","129","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C100 H108 Cu4 N8 O12 -","- C100 H108 Cu4 N8 O12 -","- C400 H432 Cu16 N32 O48 -","4","0.5","","Xuan Jiang; John C. Bollinger; Dongwhan Lee","How Bulky Is a Bulky Ligand: Energetic Consequences of Steric Constraint in Ligand-Directed Cluster Assembly and Disassembly","Journal of the American Chemical Society","2005","127","","15678","15679","10.1021/ja055225u","","","0.71073","MoKα","","0.0838","0.0423","","","0.0946","0.1163","","","","","","1.022","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112064","8.1841","0.0017","20.087","0.004","12.03","0.003","90","","93.02","0.02","90","","1974.9","0.8","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 Br2 Cu2 N4 -","- C46 H44 Br2 Cu2 N4 -","- C92 H88 Br4 Cu4 N8 -","2","0.5","","Xuan Jiang; John C. Bollinger; Dongwhan Lee","How Bulky Is a Bulky Ligand: Energetic Consequences of Steric Constraint in Ligand-Directed Cluster Assembly and Disassembly","Journal of the American Chemical Society","2005","127","","15678","15679","10.1021/ja055225u","","","0.71073","MoKα","","0.0426","0.0295","","","0.0717","0.0784","","","","","","0.992","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112065","8.2608","0.0013","18.579","0.003","13.608","0.003","90","","106.838","0.011","90","","1999","0.6","122","2","122","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 Cu2 N6 O4 -","- C46 H44 Cu2 N6 O4 -","- C92 H88 Cu4 N12 O8 -","2","0.5","","Xuan Jiang; John C. Bollinger; Dongwhan Lee","How Bulky Is a Bulky Ligand: Energetic Consequences of Steric Constraint in Ligand-Directed Cluster Assembly and Disassembly","Journal of the American Chemical Society","2005","127","","15678","15679","10.1021/ja055225u","","","0.71073","MoKα","","0.0503","0.0324","","","0.0802","0.0901","","","","","","1.066","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112066","10.2378","0.0008","17.8484","0.0014","14.2634","0.0011","90","","109.865","0.002","90","","2451.2","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 Cl4 Cu2 N6 -","- C52 H60 Cl4 Cu2 N6 -","- C104 H120 Cl8 Cu4 N12 -","2","0.5","","Xuan Jiang; John C. Bollinger; Dongwhan Lee","How Bulky Is a Bulky Ligand: Energetic Consequences of Steric Constraint in Ligand-Directed Cluster Assembly and Disassembly","Journal of the American Chemical Society","2005","127","","15678","15679","10.1021/ja055225u","","","0.71073","MoKα","","0.0378","0.0311","","","0.0793","0.0884","","","","","","1.097","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112067","5.4034","0.0001","8.6305","0.0003","26.9086","0.0008","90","","90","","90","","1254.86","0.06","120","1","120","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O S -","- C13 H20 O S -","- C52 H80 O4 S4 -","4","1","","Mauro Marigo; Tobias Schulte; Johan Franzén; Karl Anker Jørgensen","Asymmetric Multicomponent Domino Reactions and Highly Enantioselective Conjugated Addition of Thiols to α,β-Unsaturated Aldehydes","Journal of the American Chemical Society","2005","127","","15710","15711","10.1021/ja055291w","","x-ray","0.71073","MoKα","","0.0435","0.0321","","","0.0671","0.0713","","","","","","0.985","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112068","10.031","0.004","11.74","0.005","14.711","0.007","103.3","0.02","103.09","0.02","111.77","0.01","1469.6","1.2","296.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C24 H45 B Cl N Ni O P2 -","- C24 H45 B Cl N Ni O P2 -","- C48 H90 B2 Cl2 N2 Ni2 O2 P4 -","2","1","","Akihiko Yamamoto; Michinori Suginome","Nickel-Catalyzedtrans-Alkynylboration of Alkynes via Activation of a Boron-Chlorine Bond","Journal of the American Chemical Society","2005","127","","15706","15707","10.1021/ja055396z","","","0.7107","MoKα","","","0.028","","","","0.032","","","","","","2.297","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112069","7.6761","0.0017","15.565","0.003","8.0602","0.0017","90","","90","","90","","963","0.3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3.82 Ge4 La1.18 -","- Ca3.82 Ge4 La1.18 -","- Ca15.28 Ge16 La4.72 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0781","0.0664","","","0.1178","0.1221","","","","","","1.235","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112070","7.673","0.0008","15.5512","0.0017","8.0813","0.0009","90","","90","","90","","964.3","0.18","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3.66 Ge3 La1.34 -","- Ca3.656 Ge4 La1.344 -","- Ca14.624 Ge16 La5.376 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0336","0.0331","","","0.0683","0.0684","","","","","","1.429","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112071","7.669","0.002","15.525","0.004","8.084","0.002","90","","90","","90","","962.5","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3.37 Ge4 La1.63 -","- Ca3.368 Ge4 La1.632 -","- Ca13.472 Ge16 La6.528 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0478","0.0468","","","0.1037","0.1042","","","","","","1.367","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112072","7.6358","0.0006","15.4222","0.0011","8.0475","0.0006","90","","90","","90","","947.68","0.12","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca1.74 Ce3.26 Ge4 -","- Ca3.26 Ce1.74 Ge4 -","- Ca13.04 Ce6.96 Ge16 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0217","0.0207","","","0.042","0.0425","","","","","","1.341","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112073","7.6424","0.0009","15.4218","0.0019","8.0494","0.001","90","","90","","90","","948.7","0.2","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3.2 Ce1.8 Ge4 -","- Ca3.202 Ce1.798 Ge4 -","- Ca12.808 Ce7.192 Ge16 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0252","0.0233","","","0.0458","0.0467","","","","","","1.197","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112074","7.6453","0.001","15.423","0.002","8.0632","0.0011","90","","90","","90","","950.8","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3 Ce2 Ge4 -","- Ca3.006 Ce1.994 Ge4 -","- Ca12.024 Ce7.976 Ge16 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0191","0.019","","","0.042","0.042","","","","","","1.393","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112075","8.101","0.004","23.939","0.012","7.943","0.004","90","","103.897","0.01","90","","1495.3","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Yibin Zeng; Jeffrey Aubé","An Expeditious Total Synthesis of (\±)-Stenine","Journal of the American Chemical Society","2005","127","","15712","15713","10.1021/ja055629m","","","0.71073","MoKα","","0.1136","0.0999","","","0.2498","0.2569","","","","","","1.068","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112076","9.6021","0.0008","26.5918","0.0015","16.0383","0.0011","90","","101.673","0.009","90","","4010.5","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H66 Ca2 -","- C42 H66 Ca2 -","- C168 H264 Ca8 -","4","1","","Marc D. Walter; Gotthelf Wolmershäuser; Helmut Sitzmann","Calcium, Strontium, Barium, and Ytterbium Complexes with Cyclooctatetraenyl or Cyclononatetraenyl Ligands1","Journal of the American Chemical Society","2005","127","","17494","17503","10.1021/ja0550071","","","0.71073","MoKα","","0.0935","0.0454","","","0.1028","0.1149","","","","","","0.838","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112077","12.721","0.005","12.151","0.005","10.959","0.004","90","","90","","90","","1694","1.1","110","2","110","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C13 H18 N2 Ni O4 S2 W -","- C13 H18 N2 Ni O4 S2 W -","- C52 H72 N8 Ni4 O16 S8 W4 -","4","0.5","","Marilyn V. Rampersad; Stephen P. Jeffery; Melissa L. Golden; Jonghyuk Lee; Joseph H. Reibenspies; Donald J. Darensbourg; Marcetta Y. Darensbourg","Characterization of Steric and Electronic Properties of NiN2S2 Complexes as S-Donor Metallodithiolate Ligands","Journal of the American Chemical Society","2005","127","","17323","17334","10.1021/ja055051g","","","0.71073","MoKα","","0.08","0.0719","","","0.1781","0.1842","","","","","","1.099","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112078","7.2847","0.0012","13.392","0.002","20.266","0.003","90","","91.712","0.003","90","","1976.2","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 Ni O5 S2 W -","- C15 H20 N2 Ni O5 S2 W -","- C60 H80 N8 Ni4 O20 S8 W4 -","4","1","","Marilyn V. Rampersad; Stephen P. Jeffery; Melissa L. Golden; Jonghyuk Lee; Joseph H. Reibenspies; Donald J. Darensbourg; Marcetta Y. Darensbourg","Characterization of Steric and Electronic Properties of NiN2S2 Complexes as S-Donor Metallodithiolate Ligands","Journal of the American Chemical Society","2005","127","","17323","17334","10.1021/ja055051g","","","0.71073","MoKα","","0.1004","0.0626","","","0.1404","0.1559","","","","","","0.929","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112079","18.3245","0.0011","12.7484","0.0007","20.575","0.0012","90","","90","","90","","4806.5","0.5","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C17 H28 Cl2 N2 Ni O4 S2 W -","- C17 H28 Cl2 N2 Ni O4 S2 W -","- C136 H224 Cl16 N16 Ni8 O32 S16 W8 -","8","1","","Marilyn V. Rampersad; Stephen P. Jeffery; Melissa L. Golden; Jonghyuk Lee; Joseph H. Reibenspies; Donald J. Darensbourg; Marcetta Y. Darensbourg","Characterization of Steric and Electronic Properties of NiN2S2 Complexes as S-Donor Metallodithiolate Ligands","Journal of the American Chemical Society","2005","127","","17323","17334","10.1021/ja055051g","","","0.71073","MoKα","","0.0701","0.049","","","0.1078","0.1151","","","","","","0.992","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112080","13.397","0.004","12.386","0.004","11.005","0.003","90","","90","","90","","1826.1","0.9","110","2","110","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H20 N2 Ni O4 S2 W -","- C14 H20 N2 Ni O4 S2 W -","- C56 H80 N8 Ni4 O16 S8 W4 -","4","0.5","","Marilyn V. Rampersad; Stephen P. Jeffery; Melissa L. Golden; Jonghyuk Lee; Joseph H. Reibenspies; Donald J. Darensbourg; Marcetta Y. Darensbourg","Characterization of Steric and Electronic Properties of NiN2S2 Complexes as S-Donor Metallodithiolate Ligands","Journal of the American Chemical Society","2005","127","","17323","17334","10.1021/ja055051g","","","0.71073","MoKα","","0.0279","0.0271","","","0.0598","0.0603","","","","","","1.117","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112081","14.1334","0.0004","14.1334","0.0004","43.546","0.003","90","","90","","90","","8698.4","0.7","162.2","","","","","","","","","","","8","P 43","P 4cw","78","","","","- C78 H102 Cl6 F6 O14 P2 Pd S2 -","- C78 H102 Cl5.99 F6 O14 P2 Pd S2 -","- C312 H408 Cl23.96 F24 O56 P8 Pd4 S8 -","4","1","","Britton K. Corkey; F. Dean Toste","Catalytic Enantioselective Conia-Ene Reaction","Journal of the American Chemical Society","2005","127","","17168","17169","10.1021/ja055059q","","","0.7107","MoKα","","0.0699","0.033","","0.036","","0.0305","","","","","","0.87","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112082","22.784","0.002","22.806","0.002","10.395","0.001","90","","95.199","0.004","90","","5379.1","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H52 Mo2 O10 -","- C68 H52 Mo2 O10 -","- C272 H208 Mo8 O40 -","4","1","","Matthew J. Byrnes; Malcolm H. Chisholm; Judith A. Gallucci; Yao Liu; Ramkrishna Ramnauth; Claudia Turro","Observation of 1MLCT and 3MLCT Excited States in Quadruply Bonded Mo2 and W2 Complexes","Journal of the American Chemical Society","2005","127","","17343","17352","10.1021/ja055136h","","","0.71073","MoKα","","0.0521","0.0319","","0.0802","","0.0724","","","1.015","","","1.061","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112083","27.751","0.006","14.957","0.003","15.518","0.003","90","","113.8","0.03","90","","5893","2","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Cl4 Mn4 N6 O28 -","- C36 H36 Cl4 Mn4 N6 O28 -","- C144 H144 Cl16 Mn16 N24 O112 -","4","0.5","","Lollita Lecren; Olivier Roubeau; Claude Coulon; Yang-Guang Li; Xavier F. Le Goff; Wolfgang Wernsdorfer; Hitoshi Miyasaka; Rodolphe Clérac","Slow Relaxation in a One-Dimensional Rational Assembly of Antiferromagnetically Coupled [Mn4] Single-Molecule Magnets","Journal of the American Chemical Society","2005","127","","17353","17363","10.1021/ja0551685","","","0.71073","MoKα","","0.2707","0.1265","","","0.3246","0.4166","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112084","10.084","0.002","11.692","0.002","12.112","0.002","78.2","0.03","84.4","0.03","67.7","0.03","1293","0.5","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Cl2 Mn4 N8 O26 -","- C36 H48 Cl2 Mn4 N8 O26 -","- C36 H48 Cl2 Mn4 N8 O26 -","1","0.5","","Lollita Lecren; Olivier Roubeau; Claude Coulon; Yang-Guang Li; Xavier F. Le Goff; Wolfgang Wernsdorfer; Hitoshi Miyasaka; Rodolphe Clérac","Slow Relaxation in a One-Dimensional Rational Assembly of Antiferromagnetically Coupled [Mn4] Single-Molecule Magnets","Journal of the American Chemical Society","2005","127","","17353","17363","10.1021/ja0551685","","","0.71073","MoKα","","0.1431","0.0681","","","0.1574","0.1987","","","","","","0.984","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112085","14.28","0.003","15.327","0.003","14.611","0.003","90","","100.33","0.03","90","","3146.1","1.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H56 Cl4 Mn4 N10 O24 -","- C52 H56 Cl4 Mn4 N10 O24 -","- C104 H112 Cl8 Mn8 N20 O48 -","2","0.5","","Lollita Lecren; Olivier Roubeau; Claude Coulon; Yang-Guang Li; Xavier F. Le Goff; Wolfgang Wernsdorfer; Hitoshi Miyasaka; Rodolphe Clérac","Slow Relaxation in a One-Dimensional Rational Assembly of Antiferromagnetically Coupled [Mn4] Single-Molecule Magnets","Journal of the American Chemical Society","2005","127","","17353","17363","10.1021/ja0551685","","","0.71073","MoKα","","0.1521","0.0545","","","0.0936","0.1186","","","","","","0.951","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112086","10.53","0.002","16.06","0.003","13.26","0.003","90","","102.79","0.03","90","","2186.8","0.8","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cl Mn2 N6 O7 -","- C18 H18 Cl Mn2 N6 O7 -","- C72 H72 Cl4 Mn8 N24 O28 -","4","1","","Lollita Lecren; Olivier Roubeau; Claude Coulon; Yang-Guang Li; Xavier F. Le Goff; Wolfgang Wernsdorfer; Hitoshi Miyasaka; Rodolphe Clérac","Slow Relaxation in a One-Dimensional Rational Assembly of Antiferromagnetically Coupled [Mn4] Single-Molecule Magnets","Journal of the American Chemical Society","2005","127","","17353","17363","10.1021/ja0551685","","","0.71073","MoKα","","0.1346","0.054","","","0.1242","0.1814","","","","","","1.049","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112087","8.966","0.0013","8.966","0.0013","25.244","0.005","90","","90","","90","","2029.3","0.6","120","2","","","","","","","","","","6","I 4/m","-I 4","87","","","","- As20 B16 Cl10 Cs6 H16 O80 -","- As20 B16 Cl10 Cs6 H16 O80 -","- As20 B16 Cl10 Cs6 H16 O80 -","1","0.0625","","Seth B. Wiggin; Mark T. Weller","Boroarsenates: A Framework Motif and Family Templated on Cations and Anions","Journal of the American Chemical Society","2005","127","","17172","17173","10.1021/ja055262l","","","0.71073","MoKα","","","0.0451","","","","0.1208","","","","","","1.082","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112088","7.3568","0.0005","7.3568","0.0005","15.4671","0.001","90","","90","","90","","837.12","0.1","120","2","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- As2 B H K2 O8 -","- As2 B H K2 O8 -","- As8 B4 H4 K8 O32 -","4","0.5","","Seth B. Wiggin; Mark T. Weller","Boroarsenates: A Framework Motif and Family Templated on Cations and Anions","Journal of the American Chemical Society","2005","127","","17172","17173","10.1021/ja055262l","","","0.71073","MoKα","","","0.0542","","","","0.1556","","","","","","1.181","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112089","14.868","0.006","18.065","0.007","22.078","0.009","90","","104.633","0.009","90","","5738","4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Dipp*Ge(OH)(μ-OO)(μ-O)Ge(OH)Dipp*].0.5hexane","","","- C63 H83 Ge2 O5 -","- C63 H82 Ge2 O5 -","- C252 H328 Ge8 O20 -","4","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.1815","0.0907","","","0.2006","0.262","","","","","","0.953","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112090","19.3869","0.0009","29.4879","0.0013","25.0943","0.0011","90","","102.057","0.001","90","","14029.4","1.1","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C147 H170.5 Ge4 N12 O2.25 -","- C147.04 H170.6 Ge4 N12 O2.26 -","- C588.16 H682.4 Ge16 N48 O9.04 -","4","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.1017","0.0633","","","0.1647","0.1814","","","","","","1.083","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112091","21.694","0.004","18.392","0.004","32.292","0.007","90","","96.47","0.03","90","","12802","5","93","2","93","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Dipp*Sn(N-SiMe3)SnDipp*.0.5n-hexane","","","- C66 H90 N Si Sn2 -","- C66 H90 N Si Sn2 -","- C528 H720 N8 Si8 Sn16 -","8","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.1207","0.0577","","","0.1433","0.1736","","","","","","1.023","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112092","11.9584","0.0019","27.587","0.005","20.622","0.003","90","","90.114","0.007","90","","6803.1","1.9","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","[Dipp*SnNPh]2.hexane","","","- C78 H98 N2 Sn2 -","- C78 H98 N2 Sn2 -","- C312 H392 N8 Sn8 -","4","2","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.0328","0.0281","","","0.0608","0.0631","","","","","","0.989","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112093","13.089","0.0017","14.2078","0.0017","21.234","0.003","93.795","0.003","91.656","0.003","115.63","0.003","3545.2","0.8","93","2","93","2","","","","","","","","4","P -1","-P 1","2","Dipp*Ge(PhCNNCPh)GeDipp*.0.65PhCN.0.35MeCyclopentane.0.5Et2O","","","- C83.65 H98.45 Ge2 N2.65 -","- C83.65 H98.45 Ge2 N2.65 -","- C167.3 H196.9 Ge4 N5.3 -","2","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.0753","0.0468","","","0.1155","0.1317","","","","","","1.019","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112094","20.743","0.004","12.008","0.002","27.095","0.005","90","","90","","90","","6749","2","130","2","130","2","","","","","","","","4","P n a 21","P 2c -2n","33","[Dipp*Ge(PhNNPh)GeDipp*].n-hexane","","","- C78 H98 Ge2 N2 -","- C78 H98 Ge2 N2 -","- C312 H392 Ge8 N8 -","4","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","1.54178","CuKα","","0.0384","0.0328","","","0.075","0.0779","","","","","","1.026","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112095","14.585","0.003","18.3","0.004","24.129","0.005","90","","90.03","0.03","90","","6440","2","91","2","91","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dipp*GeGe(CNt-Bu)Dipp*.n-hexane","","","- C71 H96 Ge2 N -","- C71 H96 Ge2 N -","- C284 H384 Ge8 N4 -","4","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.114","0.0828","","","0.1835","0.1961","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112096","12.8515","0.0009","14.9117","0.0011","20.4565","0.0015","80.746","0.003","80.117","0.003","83.322","0.004","3795.9","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Dipp*Ge(CHSiMe3)(n2CHSiMe3)2GeDipp*.n-hexane","","","- C78 H118 Ge2 N4 Si3 -","- C78 H118 Ge2 N4 Si3 -","- C156 H236 Ge4 N8 Si6 -","2","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.0514","0.0356","","","0.0853","0.0937","","","","","","1.023","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112097","13.7999","0.0008","15.1927","0.0009","20.3401","0.0012","87.368","0.001","79.496","0.001","66.618","0.001","3847","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H104 Ge2 O -","- C96 H104 Ge2 O -","- C192 H208 Ge4 O2 -","2","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.0703","0.0425","","","0.1023","0.1119","","","","","","0.99","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112098","11.4183","0.0008","20.7335","0.0015","21.8982","0.0016","90","","95.899","0.001","90","","5156.8","0.6","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91.5 H10 Br La O4 S5 -","- C91.5 H10 Br La O4 S5 -","- C366 H40 Br4 La4 O16 S20 -","4","1","","Lai Feng; Tsukasa Nakahodo; Takatsugu Wakahara; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Tatsuhisa Kato; Ernst Horn; Kenji Yoza; Naomi Mizorogi; Shigeru Nagase","A Singly Bonded Derivative of Endohedral Metallofullerene: La@C82CBr(COOC2H5)2","Journal of the American Chemical Society","2005","127","","17136","17137","10.1021/ja055484j","","","0.71069","MoKα","","0.1109","0.0784","","","0.1901","0.2087","","","","","","1.076","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112099","27.231","0.0002","6.827","0.0003","16.97","0.0006","90","","90","","90","","3154.83","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C152 H144 N16 O16 -","8","2","","Frédéric Liéby-Muller; Thierry Constantieux; Jean Rodriguez","Multicomponent Domino Reaction from β-Ketoamides: Highly Efficient Access to Original Polyfunctionalized 2,6-Diazabicyclo[2.2.2]octane Cores","Journal of the American Chemical Society","2005","127","","17176","17177","10.1021/ja055885z","","","0.71073","MoKα","","0.0599","0.0482","","","0.1398","0.1539","","","","","","1.011","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112100","23.698","0.003","14.5","0.002","43.921","0.005","90","","98.74","0.005","90","","14917","3","143","2","143","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","[K(thf)6][H2C60Ph5]_K(H2C60Ph5)(thf)3_(THF)3","","- C114 H74.6 K O6 -","- C114 H74.6 K O6 -","- C912 H596.8 K8 O48 -","8","1","","Yutaka Matsuo; Hiroyuki Isobe; Takatsugu Tanaka; Yasujiro Murata; Michihisa Murata; Koichi Komatsu; Eiichi Nakamura","Organic and Organometallic Derivatives of Dihydrogen-Encapsulated [60]Fullerene","Journal of the American Chemical Society","2005","127","","17148","17149","10.1021/ja056077a","","x-ray","0.71073","MoKα","","0.2623","0.1348","","","0.342","0.4264","","","","","","1.163","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112101","15.167","0.0014","17.366","0.0015","20.553","0.0008","90","","90","","90","","5413.5","0.7","153","2","153","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","H2FeC60Ph5Cp","","- C96 H31.6 Fe S2 -","- C96 H31.6 Fe S2 -","- C384 H126.4 Fe4 S8 -","4","1","","Yutaka Matsuo; Hiroyuki Isobe; Takatsugu Tanaka; Yasujiro Murata; Michihisa Murata; Koichi Komatsu; Eiichi Nakamura","Organic and Organometallic Derivatives of Dihydrogen-Encapsulated [60]Fullerene","Journal of the American Chemical Society","2005","127","","17148","17149","10.1021/ja056077a","","x-ray","0.71073","MoKα","","0.0743","0.0652","","","0.1661","0.1765","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112102","10.727","0.006","12.871","0.007","16.3","0.009","90","","98.068","0.01","90","","2228","2","213","2","213","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C49 H65 Al N3 -","- C49 H65 Al N3 -","- C98 H130 Al2 N6 -","2","1","","Jennifer Scott; Sandro Gambarotta; Ilia Korobkov; Quinten Knijnenburg; Bas de Bruin; Peter H. M. Budzelaar","Formation of a Paramagnetic Al Complex and Extrusion of Fe during the Reaction of (Diiminepyridine)Fe with AlR3 (R = Me, Et)","Journal of the American Chemical Society","2005","127","","17204","17206","10.1021/ja056135s","","","0.71073","MoKα","","0.1492","0.0758","","","0.136","0.1612","","","","","","1.04","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112103","10.676","0.004","19.708","0.007","21.15","0.007","82.262","0.006","89.088","0.006","87.984","0.006","4406","3","207","2","207","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H132 Al4 Cl2 Fe2 N6 -","- C92 H132 Al4 Cl2 Fe2 N6 -","- C184 H264 Al8 Cl4 Fe4 N12 -","2","1","","Jennifer Scott; Sandro Gambarotta; Ilia Korobkov; Quinten Knijnenburg; Bas de Bruin; Peter H. M. Budzelaar","Formation of a Paramagnetic Al Complex and Extrusion of Fe during the Reaction of (Diiminepyridine)Fe with AlR3 (R = Me, Et)","Journal of the American Chemical Society","2005","127","","17204","17206","10.1021/ja056135s","","","0.71073","MoKα","","0.1016","0.0673","","","0.166","0.188","","","","","","1.013","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112104","14.035","0.005","14.625","0.005","21.424","0.005","90","","90","","90","","4398","2","243","2","243","2","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C20 H27 Cu N3 O9 -","- C20 H17 Cu N3 O9 -","- C160 H136 Cu8 N24 O72 -","8","1","","Tapas Kumar Maji; Golam Mostafa; Ryotaro Matsuda; Susumu Kitagawa","Guest-Induced Asymmetry in a Metal-Organic Porous Solid with Reversible Single-Crystal-to-Single-Crystal Structural Transformation","Journal of the American Chemical Society","2005","127","","17152","17153","10.1021/ja0561439","","","0.71069","MoKα","","0.0552","0.0525","","","0.1553","0.158","","","","","","1.083","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112105","13.732","0.005","13.721","0.005","20.397","0.005","90","","90","","90","","3843","2","373","2","373","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C40 H34 Cu2 N6 O8 -","- C40 H34 Cu2 N6 O8 -","- C160 H136 Cu8 N24 O32 -","4","1","","Tapas Kumar Maji; Golam Mostafa; Ryotaro Matsuda; Susumu Kitagawa","Guest-Induced Asymmetry in a Metal-Organic Porous Solid with Reversible Single-Crystal-to-Single-Crystal Structural Transformation","Journal of the American Chemical Society","2005","127","","17152","17153","10.1021/ja0561439","","","0.71069","MoKα","","0.0917","0.0559","","","0.1466","0.1647","","","","","","1.021","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112106","13.8882","0.001","14.6592","0.0012","21.181","0.004","90","","90","","90","","4312.2","0.9","243","2","243","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H23 Cu N3 O7 -","- C20 H17 Cu N3 O7 -","- C160 H136 Cu8 N24 O56 -","8","1","","Tapas Kumar Maji; Golam Mostafa; Ryotaro Matsuda; Susumu Kitagawa","Guest-Induced Asymmetry in a Metal-Organic Porous Solid with Reversible Single-Crystal-to-Single-Crystal Structural Transformation","Journal of the American Chemical Society","2005","127","","17152","17153","10.1021/ja0561439","","","0.71069","MoKα","","0.0834","0.0542","","","0.118","0.1332","","","","","","1.069","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112107","13.9126","0.001","15.0856","0.0013","21.6595","0.0018","90","","90","","90","","4545.9","0.6","193","2","193","2","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C22 H17 Cu N3 O8 -","- C22 H17 Cu N3 O8 -","- C176 H136 Cu8 N24 O64 -","8","1","","Tapas Kumar Maji; Golam Mostafa; Ryotaro Matsuda; Susumu Kitagawa","Guest-Induced Asymmetry in a Metal-Organic Porous Solid with Reversible Single-Crystal-to-Single-Crystal Structural Transformation","Journal of the American Chemical Society","2005","127","","17152","17153","10.1021/ja0561439","","","0.71069","MoKα","","0.0749","0.0585","","","0.1063","0.1121","","","","","","1.139","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112108","15.221","0.0006","27.188","0.001","12.4654","0.0004","90","","90.0265","0.0006","90","","5158.5","0.3","298.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 Br O -","- C17 H24 Br O -","- C204 H288 Br12 O12 -","12","3","","Tamotsu Takahashi; Yuichi Kuzuba; Fanzhi Kong; Kiyohiko Nakajima; Zhenfeng Xi","Formation of Indene Derivatives from Bis(cyclopentadienyl)titanacyclopentadienes with Alkyl Group Migration via Carbon-Carbon Bond Cleavage","Journal of the American Chemical Society","2005","127","","17188","17189","10.1021/ja0561789","","","0.7107","MoKα","","","0.0644","","","","0.0767","","","","","","1.556","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112109","11.5868","0.0002","14.0426","0.0004","23.9382","0.0005","90","","101.095","0.0015","90","","3822.16","0.15","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H37 Cl N4 Ni O7 -","- C45 H37 Cl N4 Ni O7 -","- C180 H148 Cl4 N16 Ni4 O28 -","4","1","","Ewa Szajna; Atta M. Arif; Lisa M. Berreau","Aliphatic Carbon-Carbon Bond Cleavage Reactivity of a Mononuclear Ni(II)cis-β-Keto-Enolate Complex in the Presence of Base and O2: A Model Reaction for Acireductone Dioxygenase (ARD)","Journal of the American Chemical Society","2005","127","","17186","17187","10.1021/ja056346x","","","0.71073","MoKα","","0.0968","0.052","","","0.1097","0.1326","","","","","","1.016","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112110","23.4007","0.0004","14.6593","0.0003","24.5593","0.0003","90","","106.901","0.001","90","","8060.9","0.2","150","1","150","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C45 H40 Cl2 N4 Ni O5 -","- C45 H40 Cl2 N4 Ni O5 -","- C360 H320 Cl16 N32 Ni8 O40 -","8","2","","Ewa Szajna; Atta M. Arif; Lisa M. Berreau","Aliphatic Carbon-Carbon Bond Cleavage Reactivity of a Mononuclear Ni(II)cis-β-Keto-Enolate Complex in the Presence of Base and O2: A Model Reaction for Acireductone Dioxygenase (ARD)","Journal of the American Chemical Society","2005","127","","17186","17187","10.1021/ja056346x","","","0.71073","MoKα","","0.0961","0.0665","","","0.1771","0.1999","","","","","","1.038","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112111","10.9221","0.0014","24.52","0.003","14.4271","0.0018","90","","107.785","0.004","90","","3679.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H55 B Cu N2 O2 -","- C36 H55 B Cu N2 O2 -","- C144 H220 B4 Cu4 N8 O8 -","4","1","","David S. Laitar; Peter Müller; Joseph P. Sadighi","Efficient Homogeneous Catalysis in the Reduction of CO2 to CO","Journal of the American Chemical Society","2005","127","","17196","17197","10.1021/ja0566679","","","0.71073","MoKα","","0.0582","0.0488","","","0.1288","0.1344","","","","","","1.054","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112112","10.5264","0.0019","14.999","0.003","25.09","0.004","90","","90.035","0.005","90","","3961.3","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 B Cu N2 O3 -","- C40 H56 B Cu N2 O3 -","- C160 H224 B4 Cu4 N8 O12 -","4","1","","David S. Laitar; Peter Müller; Joseph P. Sadighi","Efficient Homogeneous Catalysis in the Reduction of CO2 to CO","Journal of the American Chemical Society","2005","127","","17196","17197","10.1021/ja0566679","","","0.71073","MoKα","","0.0552","0.0454","","","0.1015","0.1063","","","","","","1.024","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112113","12.301","0.003","14.652","0.004","20.832","0.006","80.921","0.007","83.41","0.008","72.137","0.006","3520.1","1.6","173.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C77 H102 O6 Zr2 -","- C77 H70 O6 Zr2 -","- C154 H140 O12 Zr4 -","2","1","","Tsukasa Matsuo; Hiroyuki Kawaguchi","A Synthetic Cycle for H2/CO Activation and Allene Synthesis Using Recyclable Zirconium Complexes","Journal of the American Chemical Society","2005","127","","17198","17199","10.1021/ja0567079","","","0.7107","MoKα","","","0.068","","","","0.161","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112114","11.222","0.002","11.981","0.002","19.807","0.004","90","","90","","90","","2663.1","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H45 N10 P -","- C19 H45 N10 P -","- C76 H180 N40 P4 -","4","1","","Alexander A. Kolomeitsev; Ilmar A. Koppel; Toomas Rodima; Jan Barten; Enno Lork; Gerd-Volker Röschenthaler; Ivari Kaljurand; Agnes Kütt; Ivar Koppel; Vahur Mäemets; Ivo Leito","Guanidinophosphazenes: Design, Synthesis, and Basicity in THF and in the Gas Phase","Journal of the American Chemical Society","2005","127","","17656","17666","10.1021/ja053543n","","","0.71073","MoKα","","0.05","0.0403","","","0.099","0.1048","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112115","12.923","0.002","28.409","0.003","16.285","0.002","90","","107.71","0.01","90","","5695.4","1.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H46 B F4 N10 P -","- C19 H46 B F4 N10 P -","- C152 H368 B8 F32 N80 P8 -","8","2","","Alexander A. Kolomeitsev; Ilmar A. Koppel; Toomas Rodima; Jan Barten; Enno Lork; Gerd-Volker Röschenthaler; Ivari Kaljurand; Agnes Kütt; Ivar Koppel; Vahur Mäemets; Ivo Leito","Guanidinophosphazenes: Design, Synthesis, and Basicity in THF and in the Gas Phase","Journal of the American Chemical Society","2005","127","","17656","17666","10.1021/ja053543n","","","0.71073","MoKα","","0.0977","0.065","","","0.1674","0.1908","","","","","","1.026","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112116","11.2557","0.0008","16.854","0.001","29.162","0.002","90","","91.056","0.001","90","","5531.2","0.6","294","1","294","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 N O4 -","- C34 H31 N O4 -","- C272 H248 N8 O32 -","8","2","","Dirk Pijper; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Acceleration of a Nanomotor: Electronic Control of the Rotary Speed of a Light-Driven Molecular Rotor","Journal of the American Chemical Society","2005","127","","17612","17613","10.1021/ja054499e","","","0.71073","MoKα","","0.1502","0.0679","","","0.1614","0.1921","","","","","","0.939","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112117","11.7557","0.0005","10.2852","0.0004","15.3256","0.0006","90","","91.12","0.001","90","","1852.66","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C49 H41 Co Fe4 -","- C49 H41 Co Fe4 -","- C98 H82 Co2 Fe8 -","2","1","","Jieying Jiao; Gary J. Long; Leila Rebbouh; Fernande Grandjean; Alicia M. Beatty; Thomas P. Fehlner","Properties of a Mixed-Valence (FeII)2(FeIII)2 Square Cell for Utilization in the Quantum Cellular Automata Paradigm for Molecular Electronics","Journal of the American Chemical Society","2005","127","","17819","17831","10.1021/ja0550935","","","0.71073","MoKα","","0.0189","0.0184","","","0.0434","0.0435","","","","","","1.031","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112118","12.7388","0.0008","14.1919","0.0008","22.0301","0.0013","90","","90","","90","","3982.8","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C49 H41 Co F6 Fe4 P -","- C49 H41 Co F6 Fe4 P -","- C196 H164 Co4 F24 Fe16 P4 -","4","0.5","","Jieying Jiao; Gary J. Long; Leila Rebbouh; Fernande Grandjean; Alicia M. Beatty; Thomas P. Fehlner","Properties of a Mixed-Valence (FeII)2(FeIII)2 Square Cell for Utilization in the Quantum Cellular Automata Paradigm for Molecular Electronics","Journal of the American Chemical Society","2005","127","","17819","17831","10.1021/ja0550935","","","0.71073","MoKα","","0.056","0.0448","","","0.0932","0.0976","","","","","","1.209","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112119","14.8322","0.0009","9.4259","0.0006","21.679","0.0014","90","0.002","105.377","0.0017","90","0.002","2922.4","0.3","20","1","20","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ru(H)2(eta2-H2)2[P(C5H27)3]2","","","- C30 H60 P2 Ru -","- C30 H60 P2 Ru -","- C120 H240 P8 Ru4 -","4","1","","Mary Grellier; Laure Vendier; Bruno Chaudret; Alberto Albinati; Silvia Rizzato; Sax Mason; Sylviane Sabo-Etienne","Synthesis, Neutron Structure, and Reactivity of the Bis(dihydrogen) Complex RuH2(η2-H2)2(PCyp3)2 Stabilized by Two Tricyclopentylphosphines","Journal of the American Chemical Society","2005","127","","17592","17593","10.1021/ja055126g","","neutron","1.316","neutron","","0.0779","0.0521","","","0.1207","0.144","","","","","","1.07","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112120","14.9282","0.0016","9.458","0.0007","21.713","0.002","90","","105.139","0.013","90","","2959.3","0.5","100","","100","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H60 P2 Ru -","- C30 H60 P2 Ru -","- C120 H240 P8 Ru4 -","4","1","","Mary Grellier; Laure Vendier; Bruno Chaudret; Alberto Albinati; Silvia Rizzato; Sax Mason; Sylviane Sabo-Etienne","Synthesis, Neutron Structure, and Reactivity of the Bis(dihydrogen) Complex RuH2(η2-H2)2(PCyp3)2 Stabilized by Two Tricyclopentylphosphines","Journal of the American Chemical Society","2005","127","","17592","17593","10.1021/ja055126g","","","0.71073","MoKα","","0.0275","0.0255","","","0.0668","0.07","","","","","","1.064","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112121","20.066","0.004","40.221","0.007","67.924","0.013","90","","90","","90","","54820","18","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C144 H88 As2 B12 N12 O24.8 -","- C144 H88 As2 B12 N12 O24.8 -","- C2304 H1408 As32 B192 N192 O396.8 -","16","0.5","","Tiejun Li; Satish S. Jalisatgi; Michael J. Bayer; Andreas Maderna; Saeed I. Khan; M. Frederick Hawthorne","Organic Syntheses on an Icosahedral Borane Surface: Closomer Structures with Twelvefold Functionality","Journal of the American Chemical Society","2005","127","","17832","17841","10.1021/ja055226m","","","0.71073","MoKα","","0.2065","0.0615","","","0.1264","0.1926","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112122","28.8687","0.001","17.4304","0.0004","12.8504","0.0004","90","","90","","90","","6466.2","0.3","296.1","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C30 H60 Cl7 Cu7 Fe N6 S12 -","- C30 H60 Cl7 Cu7 Fe N6 S12 -","- C120 H240 Cl28 Cu28 Fe4 N24 S48 -","4","0.5","","Takashi Okubo; Ryo Kawajiri; Tadaoki Mitani; Tatsuya Shimoda","A Mixed-Valence Coordination Polymer Featuring Two-Dimensional Ferroelectric Order: {[CuI4CuII(Et2dtc)2Cl3][CuII(Et2dtc)2]2(FeCl4)}n (Et2dtc-= diethyldithiocarbamate)","Journal of the American Chemical Society","2005","127","","17598","17599","10.1021/ja056030p","","","0.71069","MoKα","","","0.0743","","","","0.1829","","","","","","1.657","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112123","9.831","0.002","14.289","0.003","18.686","0.004","90","","97.58","0.03","90","","2602","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H36 N6 O7 Pd -","- C19 H36 N6 O7 Pd -","- C76 H144 N24 O28 Pd4 -","4","1","","Adelina M. Voutchkova; Leah N. Appelhans; Anthony R. Chianese; Robert H. Crabtree","Disubstituted Imidazolium-2-Carboxylates as Efficient Precursors to N-Heterocyclic Carbene Complexes of Rh, Ru, Ir, and Pd","Journal of the American Chemical Society","2005","127","","17624","17625","10.1021/ja056625k","","","0.71073","MoKα","","0.072","0.0469","","","0.1182","0.1296","","","","","","1.023","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112124","12.976","0.003","12.175","0.003","23.421","0.006","90","","91.686","0.005","90","","3698.5","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H49 B Cl2 Ir O2 P -","- C40 H49 B Cl2 Ir O2 P -","- C160 H196 B4 Cl8 Ir4 O8 P4 -","4","1","","Marta Martín; Olga Torres; Enrique Oñate; Eduardo Sola; Luis A. Oro","C-H Activations at Iridium(I) Square-Planar Complexes Promoted by a Fifth Ligand","Journal of the American Chemical Society","2005","127","","18074","18084","10.1021/ja0557233","","","0.71073","MoKα","","0.0876","0.0468","","","0.0639","0.0713","","","","","","0.848","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112125","12.4262","0.001","10.0804","0.0008","15.6876","0.0012","90","","113.128","0.001","90","","1807.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H27 B F4 Ir O2 P -","- C15 H27 B F4 Ir O2 P -","- C60 H108 B4 F16 Ir4 O8 P4 -","4","1","","Marta Martín; Olga Torres; Enrique Oñate; Eduardo Sola; Luis A. Oro","C-H Activations at Iridium(I) Square-Planar Complexes Promoted by a Fifth Ligand","Journal of the American Chemical Society","2005","127","","18074","18084","10.1021/ja0557233","","","0.71073","MoKα","","0.0491","0.0307","","","0.054","0.0568","","","","","","0.9","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112126","8.4587","0.0019","11.443","0.003","17.379","0.004","78.694","0.006","78.537","0.007","87.473","0.006","1616.6","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H57 Cl Ir N P2 -","- C29 H57 Cl Ir N P2 -","- C58 H114 Cl2 Ir2 N2 P4 -","2","1","","Marta Martín; Olga Torres; Enrique Oñate; Eduardo Sola; Luis A. Oro","C-H Activations at Iridium(I) Square-Planar Complexes Promoted by a Fifth Ligand","Journal of the American Chemical Society","2005","127","","18074","18084","10.1021/ja0557233","","","0.71073","MoKα","","0.0535","0.0418","","","0.0663","0.0692","","","","","","0.914","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112127","8.9291","0.0004","11.4598","0.0005","18.4112","0.0008","84.507","0.001","82.528","0.001","70.603","0.001","1759.14","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H60 Cl Ir N P2 -","- C32 H60 Cl Ir N P2 -","- C64 H120 Cl2 Ir2 N2 P4 -","2","1","","Marta Martín; Olga Torres; Enrique Oñate; Eduardo Sola; Luis A. Oro","C-H Activations at Iridium(I) Square-Planar Complexes Promoted by a Fifth Ligand","Journal of the American Chemical Society","2005","127","","18074","18084","10.1021/ja0557233","","","0.71073","MoKα","","0.0321","0.0266","","","0.0516","0.0528","","","","","","0.9","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112128","10.7686","0.0004","23.4769","0.0009","11.4898","0.0004","90","","112.759","0.001","90","","2678.61","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 Lu2 N6 O2 Si8 -","- C32 H88 Lu2 N6 O2 Si8 -","- C64 H176 Lu4 N12 O4 Si16 -","2","0.5","","William J. Evans; David S. Lee; Joseph W. Ziller","Reduction of Dinitrogen to Planar Bimetallic M2(μ-η2:η2-N2) Complexes of Y, Ho, Tm, and Lu Using the K/Ln[N(SiMe3)2]3 Reduction System","Journal of the American Chemical Society","2004","126","","454","455","10.1021/ja036923m","","","0.71073","MoKα","","0.0235","0.0207","","","0.0448","0.0457","","","","","","1.091","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112129","10.8258","0.0004","23.5068","0.001","11.5787","0.0005","90","","112.683","0.001","90","","2718.64","0.19","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 N6 O2 Si8 Y2 -","- C32 H88 N6 O2 Si8 Y2 -","- C64 H176 N12 O4 Si16 Y4 -","2","0.5","","William J. Evans; David S. Lee; Joseph W. Ziller","Reduction of Dinitrogen to Planar Bimetallic M2(μ-η2:η2-N2) Complexes of Y, Ho, Tm, and Lu Using the K/Ln[N(SiMe3)2]3 Reduction System","Journal of the American Chemical Society","2004","126","","454","455","10.1021/ja036923m","","","0.71073","MoKα","","0.0372","0.0286","","","0.0654","0.0689","","","","","","1.042","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112130","10.8135","0.0004","23.4721","0.0009","11.546","0.0004","90","","112.587","0.001","90","","2705.77","0.17","172","2","172","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 Ho2 N6 O2 Si8 -","- C32 H88 Ho2 N6 O2 Si8 -","- C64 H176 Ho4 N12 O4 Si16 -","2","0.5","","William J. Evans; David S. Lee; Joseph W. Ziller","Reduction of Dinitrogen to Planar Bimetallic M2(μ-η2:η2-N2) Complexes of Y, Ho, Tm, and Lu Using the K/Ln[N(SiMe3)2]3 Reduction System","Journal of the American Chemical Society","2004","126","","454","455","10.1021/ja036923m","","","0.71073","MoKα","","0.0296","0.0223","","","0.0473","0.0501","","","","","","1.048","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112131","11.865","0.0002","15.1399","0.0003","13.5817","0.0002","90","","111.781","0.0008","90","","2265.57","0.07","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Cl N3 O7 Ru -","- C21 H24 Cl N3 O7 Ru -","- C84 H96 Cl4 N12 O28 Ru4 -","4","1","","Wai-Lun Man; Tsz-Man Tang; Tsz-Wing Wong; Tai-Chu Lau; Shie-Ming Peng; Wing-Tak Wong","Highly Electrophilic (Salen)ruthenium(VI) Nitrido Complexes","Journal of the American Chemical Society","2004","126","","478","479","10.1021/ja037899f","","","0.71073","MoKα","","0.0904","0.0488","","","0.1208","0.1432","","","","","","1.033","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112132","11.3517","0.0001","27.5955","0.0003","9.843","0.0001","90","","90.7092","0.0005","90","","3083.14","0.05","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 F6 N5 O2 P Ru -","- C28 H38 F6 N5 O2 P Ru -","- C112 H152 F24 N20 O8 P4 Ru4 -","4","1","","Wai-Lun Man; Tsz-Man Tang; Tsz-Wing Wong; Tai-Chu Lau; Shie-Ming Peng; Wing-Tak Wong","Highly Electrophilic (Salen)ruthenium(VI) Nitrido Complexes","Journal of the American Chemical Society","2004","126","","478","479","10.1021/ja037899f","","","0.71073","MoKα","","0.1245","0.0777","","","0.203","0.229","","","","","","1.132","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112133","16.088","","8.777","","16.756","","90","","102.5","","90","","2309.94","","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H47 N3 O11 -","- C51 H47 N3 O11 -","- C102 H94 N6 O22 -","2","1","","Jinq-Chyi Lee; Xin-An Lu; Suvarn S. Kulkarni; Yuh-Sheng Wen; Shang-Cheng Hung","Synthesis of Heparin Oligosaccharides","Journal of the American Chemical Society","2004","126","","476","477","10.1021/ja038244h","","","0.71073","MoKα","","0.1534","0.04","","","0.1101","0.1754","","","","","","0.88","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112134","12.8621","0.0004","12.8621","0.0004","12.5732","0.0005","90","","90","","90","","2080.03","0.12","100","2","100","2","","","","","","","","4","I -4","I -4","82","","","","- C8 H18 Li2 O2 -","- C8 H18 Li2 O2 -","- C64 H144 Li16 O16 -","8","1","","John F. Allan; Roger Nassar; Elizabeth Specht; Alicia Beatty; Nathalie Calin; Kenneth W. Henderson","Characterization of a Kinetically Stable, Highly Ordered, Octameric Form of Lithium tert-Butoxide and Its Implications Regarding Aggregate Formation","Journal of the American Chemical Society","2004","126","","484","485","10.1021/ja038420m","","","0.71073","MoKα","","0.0297","0.0295","","","0.0763","0.0765","","","","","","1.062","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112135","10.638","0.002","12.246","0.002","14.855","0.003","90.151","0.004","96.881","0.004","97.954","0.004","1902.4","0.6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Fe(OEP-NH2)(Cl). 0.5CHCl3 0.5Methylcyclopentane","","","- C39.5 H51.5 Cl2.5 Fe N5 -","- C39.5 H51.5 Cl2.5 Fe N5 -","- C79 H103 Cl5 Fe2 N10 -","2","1","","Sankar Prasad Rath; Heather Kalish; Lechosław Latos-Grażyński; Marilyn M. Olmstead; Alan L. Balch","Facile Ring Opening of Iron(III) and Iron(II) Complexes of meso-Amino-octaethylporphyrin by Dioxygen","Journal of the American Chemical Society","2004","126","","646","654","10.1021/ja0384431","","","0.71073","MoKα","","0.1036","0.0554","","","0.1348","0.1551","","","","","","0.971","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112136","17.7079","0.0002","17.7079","0.0002","15.0264","0.0002","90","","90","","120","","4080.56","0.08","297","2","297","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C53.33 H55.33 Cl4 Cu2 Fe2 P2 S2 -","- C53.32 H55.32 Cl4 Cu2 Fe2 P2 S2 -","- C159.96 H165.96 Cl12 Cu6 Fe6 P6 S6 -","3","0.5","","Olga García Mancheño; Ramón Gómez Arrayás; Juan C. Carretero","Chiral Copper Complexes of Phosphino Sulfenyl Ferrocenes as Efficient Catalysts for Enantioselective Formal Aza Diels-Alder Reactions of N-Sulfonyl Imines","Journal of the American Chemical Society","2004","126","","456","457","10.1021/ja038494y","","","1.54178","CuKα","","0.0374","0.036","","","0.0911","0.0921","","","","","","1.072","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112137","10.0002","0.0008","10.4496","0.0008","16.0871","0.001","90","","90","","90","","1681.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Olga García Mancheño; Ramón Gómez Arrayás; Juan C. Carretero","Chiral Copper Complexes of Phosphino Sulfenyl Ferrocenes as Efficient Catalysts for Enantioselective Formal Aza Diels-Alder Reactions of N-Sulfonyl Imines","Journal of the American Chemical Society","2004","126","","456","457","10.1021/ja038494y","","","1.54178","CuKα","","0.0304","0.0296","","","0.0849","0.0859","","","","","","1.073","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112138","10.425","0.004","12.133","0.004","9.693","0.003","90.18","0.03","114.18","0.02","69.15","0.03","1030.5","0.7","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 Cl N O5 S -","- C21 H20 Cl N O5 S -","- C42 H40 Cl2 N2 O10 S2 -","2","1","","Ikuya Shibata; Hirofumi Kato; Nobuaki Kanazawa; Makoto Yasuda; Akio Baba","One-Pot Synthesis of Nitrogen Heterocycles Initiated by Regio- and Diastereoselective Carbon-Carbon Bond Formation of Bifunctional Carbonyl Compounds","Journal of the American Chemical Society","2004","126","","466","467","10.1021/ja038712n","","","0.7107","MoKα","","","0.0605","","","","0.1491","","","","","","2.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112139","10.403","0.002","11.939","0.002","10.139","0.002","92.52","0.01","112.46","0.01","69.16","0.01","1081.4","0.4","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Cl N O5 S -","- C22 H22 Cl N O5 S -","- C44 H44 Cl2 N2 O10 S2 -","2","1","","Ikuya Shibata; Hirofumi Kato; Nobuaki Kanazawa; Makoto Yasuda; Akio Baba","One-Pot Synthesis of Nitrogen Heterocycles Initiated by Regio- and Diastereoselective Carbon-Carbon Bond Formation of Bifunctional Carbonyl Compounds","Journal of the American Chemical Society","2004","126","","466","467","10.1021/ja038712n","","","0.7107","MoKα","","","0.0641","","","","0.1544","","","","","","1.972","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112140","10.786","0.002","12.723","0.002","9.386","0.002","94.5","0.02","114.22","0.02","67.17","0.01","1077.6","0.4","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Cl N O5 S -","- C22 H22 Cl N O5 S -","- C44 H44 Cl2 N2 O10 S2 -","2","1","","Ikuya Shibata; Hirofumi Kato; Nobuaki Kanazawa; Makoto Yasuda; Akio Baba","One-Pot Synthesis of Nitrogen Heterocycles Initiated by Regio- and Diastereoselective Carbon-Carbon Bond Formation of Bifunctional Carbonyl Compounds","Journal of the American Chemical Society","2004","126","","466","467","10.1021/ja038712n","","","0.7107","MoKα","","","0.0572","","","","0.13","","","","","","1.573","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112141","17.991","0.0016","19.907","0.002","23.959","0.003","90","","90","","90","","8580.8","1.6","153","2","153","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C108 H69 Cl9 Si5 -","- C108 H69 Cl9 Si5 -","- C432 H276 Cl36 Si20 -","4","1","","Yutaka Matsuo; Ayako Muramatsu; Ryo Hamasaki; Norihiro Mizoshita; Takashi Kato; Eiichi Nakamura","Stacking of Molecules Possessing a Fullerene Apex and a Cup-Shaped Cavity Connected by a Silicon Connection","Journal of the American Chemical Society","2004","126","","432","433","10.1021/ja038816y","","x-ray","0.71073","MoKα","","0.0787","0.0654","","","0.1697","0.1826","","","","","","1.031","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112142","31.997","","31.997","","20.178","0.0004","90","","90","","90","","20658.4","0.4","153","2","153","2","","","","","","","synthesis as described","3","I -4","I -4","82","","","","- C149 H102 Si5 -","- C149.25 H86 Si5 -","- C1194 H688 Si40 -","8","1","","Yutaka Matsuo; Ayako Muramatsu; Ryo Hamasaki; Norihiro Mizoshita; Takashi Kato; Eiichi Nakamura","Stacking of Molecules Possessing a Fullerene Apex and a Cup-Shaped Cavity Connected by a Silicon Connection","Journal of the American Chemical Society","2004","126","","432","433","10.1021/ja038816y","","x-ray","0.71073","MoKα","","0.0835","0.0796","","","0.2115","0.2145","","","","","","1.059","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112143","8.7212","0.0003","9.4995","0.0004","15.4033","0.0006","100.643","0.002","96.326","0.002","100.073","0.002","1221.37","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(carbonyl)(η^4^-1,5-cycloctadiene) [1-methoxy-3-(4-methoxyphenyl)-2-propenylidene]rhodium(I) hexafluoroantimonate","","- C20 H24 F6 O3 Rh Sb -","- C20 H24 F6 O3 Rh Sb -","- C40 H48 F12 O6 Rh2 Sb2 -","2","1","","José Barluenga; Rubén Vicente; Luis A. López; Eduardo Rubio; Miguel Tomás; Carmen Álvarez-Rúa","New Fischer Carbene Complexes of Rhodium(I): Preparation and 2-Cyclopentenone Ring Synthesis by Annelation to Alkynes","Journal of the American Chemical Society","2004","126","","470","471","10.1021/ja038817q","","","1.5418","CuKα","","0.0715","0.0556","","","0.1455","0.16","","","","","","1.045","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112144","8.954","0.002","10.807","0.002","22.464","0.008","90","","90","","90","","2173.7","1","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H12 N4 Se -","- C9 H12 N4 Se -","- C72 H96 N32 Se8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn","Isolation of a Stable Covalent Selenium Azide RSeN3","Journal of the American Chemical Society","2004","126","","710","711","10.1021/ja038975h","","","0.71073","MoKα","","0.12","0.0694","","0.2273","0.1727","","","","1.075","1.063","1.063","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112145","8.174","0.002","10.957","0.003","23.736","0.006","90","","90","","90","","2125.9","0.9","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H12 I N Se -","- C9 H12 I N Se -","- C72 H96 I8 N8 Se8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn","Isolation of a Stable Covalent Selenium Azide RSeN3","Journal of the American Chemical Society","2004","126","","710","711","10.1021/ja038975h","","","0.71073","MoKα","","0.0293","0.0232","","0.0611","0.0579","","","","1.095","1.121","1.121","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112146","7.723","0.002","10.9085","0.0011","23.556","0.006","90","","90","","90","","1984.5","0.7","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H12 Cl N Se -","- C9 H12 Cl N Se -","- C72 H96 Cl8 N8 Se8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn","Isolation of a Stable Covalent Selenium Azide RSeN3","Journal of the American Chemical Society","2004","126","","710","711","10.1021/ja038975h","","","0.71073","MoKα","","0.053","0.0377","","0.1182","0.1054","","","","1.093","1.138","1.138","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112147","31.4651","0.0006","31.4651","0.0007","18.8447","0.0007","90","","90","","120","","16157.6","0.8","233","2","233","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C27 H16 Cl13 O4 -","- C26.9433 H2 Cl13 O4 -","- C484.98 H36 Cl234 O72 -","18","1","","Daniel Maspoch; Neus Domingo; Daniel Ruiz-Molina; Klaus Wurst; Javier Tejada; Concepció Rovira; Jaume Veciana","A Robust Nanocontainer Based on a Pure Organic Free Radical","Journal of the American Chemical Society","2004","126","","730","731","10.1021/ja038988v","","","0.71073","MoKα","","0.064","0.0461","","","0.1183","0.1271","","","","","","1.025","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112148","7.1939","0.0003","16.4714","0.0012","9.7749","0.0006","90","","111.938","0.0018","90","","1074.39","0.11","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 Br O2 -","- C11 H13 Br O2 -","- C44 H52 Br4 O8 -","4","2","","Mark Lautens; Sheldon Hiebert","Scope of Palladium-Catalyzed Alkylative Ring Opening","Journal of the American Chemical Society","2004","126","","1437","1447","10.1021/ja037550s","","","0.71073","MoKα","","0.0554","0.0532","","","0.1319","0.1347","","","","","","1.068","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112149","23.386","0.002","5.7326","0.0006","20.963","0.002","90","","97.782","0.002","90","","2784.5","0.5","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 B N2 O2 -","- C40 H28 B N2 O2 -","- C160 H112 B4 N8 O8 -","4","0.5","","S. K. Pal; M. E. Itkis; R. W. Reed; R. T. Oakley; A. W. Cordes; F. S. Tham; T. Siegrist; R. C. Haddon","Synthesis, Structure and Physical Properties of the First One-Dimensional Phenalenyl-Based Neutral Radical Molecular Conductor","Journal of the American Chemical Society","2004","126","","1478","1484","10.1021/ja037864f","","","0.71073","MoKα","","0.0524","0.0396","","","0.1027","0.1142","","","","","","1.038","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112150","15.7","0.0001","8.993","0.0001","15.705","0.0002","90","","112.5","","90","","2048.6","0.04","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound 1","","","- C12 H34 Ag B11 -","- C12 H34 Ag B11 -","- C48 H136 Ag4 B44 -","4","1","","Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller","Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-","Journal of the American Chemical Society","2004","126","","1503","1517","10.1021/ja038173m","","","0.71073","MoKα","","0.0402","0.0337","","","0.0853","0.0895","","","","","","1.077","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112151","9.184","0.0001","13.617","0.0002","15.152","0.0003","111.637","0.001","95.005","0.001","100.336","0.001","1708.23","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","compound 2","","","- C30 H49 Ag B11 P -","- C30 H49 Ag B11 P -","- C60 H98 Ag2 B22 P2 -","2","1","","Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller","Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-","Journal of the American Chemical Society","2004","126","","1503","1517","10.1021/ja038173m","","","0.71073","MoKα","","0.0627","0.0378","","","0.0941","0.1043","","","","","","1.017","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112152","15.127","0.0002","15.538","0.0003","17.905","0.0002","90","","113.011","0.001","90","","3873.58","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound 3","","","- C30 H67 Ag B11 P -","- C30 H67 Ag B11 P -","- C120 H268 Ag4 B44 P4 -","4","1","","Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller","Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-","Journal of the American Chemical Society","2004","126","","1503","1517","10.1021/ja038173m","","","0.71073","MoKα","","0.0559","0.0384","","","0.0879","0.0966","","","","","","1.012","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112153","22.846","0.0006","12.797","0.0007","31.273","0.003","90","0.002","106.366","0.003","90","0.004","8772.5","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound 4","","","- C36 H61 Ag B11 P -","- C36 H61 Ag B11 P -","- C288 H488 Ag8 B88 P8 -","8","1","","Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller","Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-","Journal of the American Chemical Society","2004","126","","1503","1517","10.1021/ja038173m","","","0.71073","MoKα","","0.2944","0.1134","","","0.2786","0.3653","","","","","","1.02","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112154","20.008","0.0005","12.283","0.0004","37.481","0.0011","90","","102.378","0.002","90","","8997.1","0.5","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H69 Ag B11 O2 P -","- C38 H69 Ag B11 O2 P -","- C304 H552 Ag8 B88 O16 P8 -","8","2","","Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller","Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-","Journal of the American Chemical Society","2004","126","","1503","1517","10.1021/ja038173m","","","0.71073","MoKα","","0.1718","0.0754","","","0.1464","0.1927","","","","","","1.041","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112155","11.576","0.0002","11.576","0.0002","21.389","0.0002","90","","90","","120","","2482.21","0.06","150","2","150","2","","","","","","","","5","P 63/m","-P 6c","176","Compound 5","","","- C49 H66 Ag B11 P2 -","- C48 H66 Ag B12 P2 -","- C96 H132 Ag2 B24 P4 -","2","0.166667","","Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller","Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-","Journal of the American Chemical Society","2004","126","","1503","1517","10.1021/ja038173m","","","0.71073","MoKα","","0.0569","0.0364","","","0.0918","0.1017","","","","","","1.036","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112156","16.037","0.003","16.263","0.003","18.351","0.003","90","","104.515","0.003","90","","4633.4","1.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H31 B F20 O Si Zr -","- C47 H31 B F20 O Si Zr -","- C188 H124 B4 F80 O4 Si4 Zr4 -","4","1","","Cristiano Zuccaccia; Nicholas G. Stahl; Alceo Macchioni; Ming-Chou Chen; John A. Roberts; Tobin J. Marks","NOE and PGSE NMR Spectroscopic Studies of Solution Structure and Aggregation in Metallocenium Ion-Pairs","Journal of the American Chemical Society","2004","126","","1448","1464","10.1021/ja0387296","","","0.71073","MoKα","","0.1196","0.0592","","","0.133","0.1584","","","","","","1.094","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112157","13.8689","0.0007","8.0185","0.0004","20.0898","0.0011","90","","90","","90","","2234.1","0.2","123","2","123","2","","","","","","","chemical synthesis","4","P b c a","-P 2ac 2ab","61","","1,4-bis(phenothiazin-10-yl)benzene","","- C30 H20 N2 S2 -","- C30 H20 N2 S2 -","- C120 H80 N8 S8 -","4","0.5","","Duoli Sun; Sergiy V. Rosokha; Jay K. Kochi","Donor-Acceptor (Electronic) Coupling in the Precursor Complex to Organic Electron Transfer: Intermolecular and Intramolecular Self-Exchange between Phenothiazine Redox Centers","Journal of the American Chemical Society","2004","126","","1388","1401","10.1021/ja038746v","","","0.71073","MoKα","","0.0458","0.0408","","0.1189","0.1079","","","","1.055","1.062","1.062","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112158","7.7817","0.0006","10.2921","0.0008","10.45","0.0008","96.321","0.002","99.677","0.002","94.158","0.002","816.47","0.11","123","2","123","2","","","","","","","chemical synthesis","7","P -1","-P 1","2","","1,4-bis(phenothiazin-10-yl)benzene hexafluoroantimonate cation-radical salt dichloromethane disolvate","","- C32 H24 Cl4 F6 N2 S2 Sb -","- C32 H24 Cl4 F6 N2 S2 Sb -","- C32 H24 Cl4 F6 N2 S2 Sb -","1","0.5","","Duoli Sun; Sergiy V. Rosokha; Jay K. Kochi","Donor-Acceptor (Electronic) Coupling in the Precursor Complex to Organic Electron Transfer: Intermolecular and Intramolecular Self-Exchange between Phenothiazine Redox Centers","Journal of the American Chemical Society","2004","126","","1388","1401","10.1021/ja038746v","","","0.71073","MoKα","","0.0421","0.0346","","0.0897","0.0822","","","","1.005","1.019","1.019","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112159","10.7636","0.0005","12.1947","0.0005","19.8197","0.0009","107.859","0.001","96.354","0.001","95.024","0.001","2440.56","0.19","123","2","123","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","","1,2-Bis(phenothiazin-10-ylmethyl)benzene","","- C32 H24 N2 S2 -","- C32 H24 N2 S2 -","- C128 H96 N8 S8 -","4","2","","Duoli Sun; Sergiy V. Rosokha; Jay K. Kochi","Donor-Acceptor (Electronic) Coupling in the Precursor Complex to Organic Electron Transfer: Intermolecular and Intramolecular Self-Exchange between Phenothiazine Redox Centers","Journal of the American Chemical Society","2004","126","","1388","1401","10.1021/ja038746v","","","0.71073","MoKα","","0.0593","0.0477","","0.1268","0.1136","","","","0.998","1.02","1.02","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112160","10.0687","0.0005","10.7149","0.0005","21.4747","0.0011","96.295","0.001","99.873","0.001","98.062","0.001","2238.6","0.19","123","2","123","2","","","","","","","chemical synthesis","6","P -1","-P 1","2","","1,2-Bis(phenothiazin-10-ylmethyl)benzene dication bis(hexachloroantimonate) salt, dichloromethane hemysolvate","","- C32.5 H25 Cl13 N2 S2 Sb2 -","- C32.5 H25 Cl13 N2 S2 Sb2 -","- C65 H50 Cl26 N4 S4 Sb4 -","2","1","","Duoli Sun; Sergiy V. Rosokha; Jay K. Kochi","Donor-Acceptor (Electronic) Coupling in the Precursor Complex to Organic Electron Transfer: Intermolecular and Intramolecular Self-Exchange between Phenothiazine Redox Centers","Journal of the American Chemical Society","2004","126","","1388","1401","10.1021/ja038746v","","","0.71073","MoKα","","0.0772","0.0524","","0.1619","0.132","","","","1.004","1.04","1.04","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112161","13.8195","0.0004","13.8195","0.0004","26.189","0.002","90","","90","","90","","5001.5","0.4","123","2","123","2","","","","","","","chemical synthesis","4","I 41/a :2","-I 4ad","88","","1,2-dimethyl-4,5-bis(phenothiazin-10-yl)benzene","","- C32 H24 N2 S2 -","- C32 H24 N2 S2 -","- C256 H192 N16 S16 -","8","0.5","","Duoli Sun; Sergiy V. Rosokha; Jay K. Kochi","Donor-Acceptor (Electronic) Coupling in the Precursor Complex to Organic Electron Transfer: Intermolecular and Intramolecular Self-Exchange between Phenothiazine Redox Centers","Journal of the American Chemical Society","2004","126","","1388","1401","10.1021/ja038746v","","","0.71073","MoKα","","0.0712","0.0563","","0.1631","0.1437","","","","1.021","1.047","1.047","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112162","19.303","0.001","11.2246","0.0006","20.5464","0.0011","90","","92.836","0.001","90","","4446.3","0.4","123","2","123","2","","","","","","","chemical synthesis","6","C 1 2 1","C 2y","5","","Mixed-valence (4:2) Phenothiazine Hexafluorophosphate salt","","- C48 H36 F12 N4 P2 S4 -","- C48 H36 F12 N4 P2 S4 -","- C192 H144 F48 N16 P8 S16 -","4","1","","Duoli Sun; Sergiy V. Rosokha; Jay K. Kochi","Donor-Acceptor (Electronic) Coupling in the Precursor Complex to Organic Electron Transfer: Intermolecular and Intramolecular Self-Exchange between Phenothiazine Redox Centers","Journal of the American Chemical Society","2004","126","","1388","1401","10.1021/ja038746v","","","0.71073","MoKα","","0.0725","0.0609","","0.1677","0.1522","","","","1.041","1.06","1.06","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112163","10.6977","0.0007","15.0041","0.001","21.4755","0.0014","90","","96.172","0.001","90","","3427","0.4","98","2","98","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 Cl5 Cr N O4 P2 -","- C30 H33 Cl5 Cr N O4 P2 -","- C120 H132 Cl20 Cr4 N4 O16 P8 -","4","1","","Theodor Agapie; Susan J. Schofer; Jay A. Labinger; John E. Bercaw","Mechanistic Studies of the Ethylene Trimerization Reaction with Chromium-Diphosphine Catalysts: Experimental Evidence for a Mechanism Involving Metallacyclic Intermediates","Journal of the American Chemical Society","2004","126","","1304","1305","10.1021/ja038968t","","","0.71073","MoKα","","0.0618","0.037","","","0.0621","0.0649","","","","","","1.579","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112164","15.1624","0.0007","15.4024","0.0007","22.7168","0.0011","91.232","0.001","94.435","0.001","110.525","0.001","4946.8","0.4","98","2","98","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H52 Cl6 Cr N O4 P2 -","- C49.769 H51.538 Cl5.538 Cr N O4 P2 -","- C199.076 H206.152 Cl22.152 Cr4 N4 O16 P8 -","4","2","","Theodor Agapie; Susan J. Schofer; Jay A. Labinger; John E. Bercaw","Mechanistic Studies of the Ethylene Trimerization Reaction with Chromium-Diphosphine Catalysts: Experimental Evidence for a Mechanism Involving Metallacyclic Intermediates","Journal of the American Chemical Society","2004","126","","1304","1305","10.1021/ja038968t","","","0.71073","MoKα","","0.1196","0.0692","","","0.1163","0.1216","","","","","","2.003","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4112165","9.9167","0.0006","11.9935","0.0008","17.9725","0.0011","77.371","0.001","76.328","0.001","70.67","0.001","1936.8","0.2","98","2","98","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H41 Br Cl2 Cr N O4 P2 -","- C42 H41 Br Cl2 Cr N O4 P2 -","- C84 H82 Br2 Cl4 Cr2 N2 O8 P4 -","2","1","","Theodor Agapie; Susan J. Schofer; Jay A. Labinger; John E. Bercaw","Mechanistic Studies of the Ethylene Trimerization Reaction with Chromium-Diphosphine Catalysts: Experimental Evidence for a Mechanism Involving Metallacyclic Intermediates","Journal of the American Chemical Society","2004","126","","1304","1305","10.1021/ja038968t","","","0.71073","MoKα","","0.0657","0.0416","","","0.0744","0.0765","","","","","","1.731","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4112166","27.581","0.004","9.1114","0.0015","9.9791","0.0016","90","","92.213","0.003","90","","2505.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O12 P2 Zn2 -","- C21 H22 N2 O12 P2 Zn2 -","- C84 H88 N8 O48 P8 Zn8 -","4","1","","Yueh-Chun Liao; Fen-Ling Liao; Wei-Kuo Chang; Sue-Lein Wang","A Zeolitic Organo-Metallophosphate Hybrid Material with Bimodal Porosity","Journal of the American Chemical Society","2004","126","","1320","1321","10.1021/ja0390146","","","0.71073","MoKα","","0.0893","0.0766","","","0.223","0.23","","","","","","1.071","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112167","9.8074","0.001","9.9501","0.001","10.6064","0.0011","79.182","0.002","69.414","0.002","80.472","0.002","946.12","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Mn2 N16 -","- C12 H10 Mn2 N16 -","- C24 H20 Mn4 N32 -","2","1","","En-Qing Gao; Yan-Feng Yue; Shi-Qiang Bai; Zheng He; Chun-Hua Yan","From Achiral Ligands to Chiral Coordination Polymers: Spontaneous Resolution, Weak Ferromagnetism, and Topological Ferrimagnetism","Journal of the American Chemical Society","2004","126","","1419","1429","10.1021/ja039104a","","","0.71073","MoKα","","0.0849","0.0497","","","0.1227","0.1372","","","","","","0.952","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112168","17.1238","0.0004","10.8439","0.0003","12.3532","0.0004","90","","127.082","0.0012","90","","1829.98","0.09","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H22 Mn3 N28 -","- C24 H22 Mn3 N28 -","- C48 H44 Mn6 N56 -","2","0.5","","En-Qing Gao; Yan-Feng Yue; Shi-Qiang Bai; Zheng He; Chun-Hua Yan","From Achiral Ligands to Chiral Coordination Polymers: Spontaneous Resolution, Weak Ferromagnetism, and Topological Ferrimagnetism","Journal of the American Chemical Society","2004","126","","1419","1429","10.1021/ja039104a","","","0.71073","MoKα","","0.0663","0.0385","","","0.0817","0.0901","","","","","","1.005","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112169","14.4368","0.0003","14.5844","0.0003","17.5169","0.0004","90","","90","","90","","3688.22","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cl Mn2 N21 O5 -","- C24 H24 Cl Mn2 N21 O5 -","- C96 H96 Cl4 Mn8 N84 O20 -","4","1","","En-Qing Gao; Yan-Feng Yue; Shi-Qiang Bai; Zheng He; Chun-Hua Yan","From Achiral Ligands to Chiral Coordination Polymers: Spontaneous Resolution, Weak Ferromagnetism, and Topological Ferrimagnetism","Journal of the American Chemical Society","2004","126","","1419","1429","10.1021/ja039104a","","","0.71073","MoKα","","0.1077","0.0534","","","0.1369","0.1639","","","","","","1.014","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112170","15.0691","0.0004","7.829","0.0003","17.4369","0.0004","90","","96.088","0.002","90","","2045.53","0.11","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Mn2 N16 -","- C14 H14 Mn2 N16 -","- C56 H56 Mn8 N64 -","4","0.5","","En-Qing Gao; Yan-Feng Yue; Shi-Qiang Bai; Zheng He; Chun-Hua Yan","From Achiral Ligands to Chiral Coordination Polymers: Spontaneous Resolution, Weak Ferromagnetism, and Topological Ferrimagnetism","Journal of the American Chemical Society","2004","126","","1419","1429","10.1021/ja039104a","","","0.71073","MoKα","","0.0663","0.0346","","","0.0785","0.0895","","","","","","1.012","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112171","8.0488","0.0011","8.0488","0.0011","30.552","0.006","90","","90","","120","","1714.1","0.5","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C15 H18 Mn2 N16 O -","- C15 H14 Mn2 N16 O -","- C45 H42 Mn6 N48 O3 -","3","0.5","","En-Qing Gao; Yan-Feng Yue; Shi-Qiang Bai; Zheng He; Chun-Hua Yan","From Achiral Ligands to Chiral Coordination Polymers: Spontaneous Resolution, Weak Ferromagnetism, and Topological Ferrimagnetism","Journal of the American Chemical Society","2004","126","","1419","1429","10.1021/ja039104a","","","0.71073","MoKα","","0.0802","0.0425","","","0.089","0.1018","","","","","","1.026","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112172","16.576","0.003","11.509","0.004","17.059","0.002","90","","115.36","0.02","90","","2940.8","1.3","293","2","250","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H37 Li N4 O -","- C33 H37 Li N4 O -","- C132 H148 Li4 N16 O4 -","4","1","","Antonio Otero; Juan Fernández-Baeza; Antonio Antiñolo; Juan Tejeda; Agustín Lara-Sánchez; Luis Sánchez-Barba; Ana M. Rodríguez; Miguel A. Maestro","An Unprecedented Hybrid Scorpionate/Cyclopentadienyl Ligand","Journal of the American Chemical Society","2004","126","","1330","1331","10.1021/ja0391558","","","0.71073","MoKα","","0.3313","0.0745","","","0.1333","0.1996","","","","","","0.902","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112173","12.222","0.0011","23.628","0.002","12.8891","0.0012","90","","100.935","0.002","90","","3654.5","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H45 Cl3 N4 O2 Zr -","- C37 H37 Cl3 N4 O2 Zr -","- C148 H148 Cl12 N16 O8 Zr4 -","4","1","","Antonio Otero; Juan Fernández-Baeza; Antonio Antiñolo; Juan Tejeda; Agustín Lara-Sánchez; Luis Sánchez-Barba; Ana M. Rodríguez; Miguel A. Maestro","An Unprecedented Hybrid Scorpionate/Cyclopentadienyl Ligand","Journal of the American Chemical Society","2004","126","","1330","1331","10.1021/ja0391558","","","0.71073","MoKα","","0.0837","0.0538","","","0.153","0.1716","","","","","","1.038","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112174","18.723","0.004","7.271","0.001","20.481","0.004","90","","107.02","0.03","90","","2666.1","1","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","catena-(mu4-4,4'(hexafluoroisopropylidene)bis(benzenecarboxylato) -half(mu2-4,4'(hexafluoroisopropylidene)bis(benzoic acid)copper(II)","","- C51 H26 Cu2 F18 O12 -","- C51 H26 Cu2 F18 O12 -","- C102 H52 Cu4 F36 O24 -","2","0.5","","Long Pan; Michelle B. Sander; Xiaoying Huang; Jing Li; Milton Smith; Edward Bittner; Bradley Bockrath; J. Karl Johnson","Microporous Metal Organic Materials: Promising Candidates as Sorbents for Hydrogen Storage","Journal of the American Chemical Society","2004","126","","1308","1309","10.1021/ja0392871","","","0.71073","MoKα","","0.0876","0.0441","","","0.0685","0.0744","","","","","","1.293","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112175","12.937","0.002","12.0613","0.0018","25.706","0.004","90","","97.777","0.002","90","","3974.2","1.1","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C70 H120 Si6 Y4 -","- C70 H120 Si6 Y4 -","- C140 H240 Si12 Y8 -","2","0.5","","Dongmei Cui; Olivier Tardif; Zhaomin Hou","Tetranuclear Rare Earth Metal Polyhydrido Complexes Composed of ""(C5Me4SiMe3)LnH2"" Units. Unique Reactivities toward Unsaturated C-C, C-N, and C-O Bonds","Journal of the American Chemical Society","2004","126","","1312","1313","10.1021/ja039324o","","","0.71073","MoKα","","0.1222","0.0528","","","0.0896","0.1068","","","","","","0.956","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112176","22.5643","0.001","13.1414","0.0006","23.1746","0.001","90","","102.976","0.001","90","","6696.4","0.5","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H106 Si4 Y4 -","- C62 H106 Si4 Y4 -","- C248 H424 Si16 Y16 -","4","1","","Dongmei Cui; Olivier Tardif; Zhaomin Hou","Tetranuclear Rare Earth Metal Polyhydrido Complexes Composed of ""(C5Me4SiMe3)LnH2"" Units. Unique Reactivities toward Unsaturated C-C, C-N, and C-O Bonds","Journal of the American Chemical Society","2004","126","","1312","1313","10.1021/ja039324o","","","0.71073","MoKα","","0.0484","0.0328","","","0.0755","0.0801","","","","","","1.043","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112177","24.44","0.004","18.673","0.003","14.797","0.002","90","","96.848","0.002","90","","6704.7","1.8","173","1","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H110 Lu4 O6 Si4 -","- C60 H110 Lu4 O6 Si4 -","- C240 H440 Lu16 O24 Si16 -","4","0.5","","Dongmei Cui; Olivier Tardif; Zhaomin Hou","Tetranuclear Rare Earth Metal Polyhydrido Complexes Composed of ""(C5Me4SiMe3)LnH2"" Units. Unique Reactivities toward Unsaturated C-C, C-N, and C-O Bonds","Journal of the American Chemical Society","2004","126","","1312","1313","10.1021/ja039324o","","","0.71073","MoKα","","0.048","0.0319","","","0.0727","0.0775","","","","","","1.058","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112178","18.165","0.003","21.836","0.003","21.363","0.003","90","","90.861","0.002","90","","8473","2","173","1","173","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H126 Lu4 N4 O Si4 -","- C86 H126 Lu4 N4 O Si4 -","- C344 H504 Lu16 N16 O4 Si16 -","4","0.5","","Dongmei Cui; Olivier Tardif; Zhaomin Hou","Tetranuclear Rare Earth Metal Polyhydrido Complexes Composed of ""(C5Me4SiMe3)LnH2"" Units. Unique Reactivities toward Unsaturated C-C, C-N, and C-O Bonds","Journal of the American Chemical Society","2004","126","","1312","1313","10.1021/ja039324o","","","0.71073","MoKα","","0.0445","0.0271","","","0.0562","0.0596","","","","","","1.078","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112179","8.256","0.006","7.118","0.005","14.087","0.011","90","","96.259","0.019","90","","822.9","1.1","125","2","125","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O8 -","- C20 H20 O8 -","- C40 H40 O16 -","2","1","","Chaomin Li; John A. Porco","Synthesis of the Epoxyquinol Dimer RKB-3564 D: Utilization of an Alkoxysilanol To Promote [4 + 4] Dimerization","Journal of the American Chemical Society","2004","126","","1310","1311","10.1021/ja039543+","","","0.71073","MoKα","","0.0816","0.0524","","","0.1051","0.1169","","","","","","1.011","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112180","12.5095","0.0009","13.2254","0.001","20.9777","0.0016","90","","90","","90","","3470.6","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B F3 N -","- C20 H21 B F3 N -","- C160 H168 B8 F24 N8 -","8","1","","Xavier Cattoën; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Amino-Aryl-Carbenes: Alternative Ligands for Transition Metals?","Journal of the American Chemical Society","2004","126","","1342","1343","10.1021/ja0396854","","","0.71073","MoKα","","0.0848","0.0451","","","0.094","0.1111","","","","","","1.009","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112181","9.9897","0.0011","10.8362","0.0012","23.435","0.003","90","","100.234","0.002","90","","2496.5","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30.5 H33 Cl N Rh -","- C30.5 H33 Cl N Rh -","- C122 H132 Cl4 N4 Rh4 -","4","1","","Xavier Cattoën; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Amino-Aryl-Carbenes: Alternative Ligands for Transition Metals?","Journal of the American Chemical Society","2004","126","","1342","1343","10.1021/ja0396854","","","0.71073","MoKα","","0.0323","0.0275","","","0.0687","0.0713","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112182","11.154","0.003","14.84","0.003","14.405","0.003","90","","94.718","0.004","90","","2376.3","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 Cl N Rh -","- C28 H33 Cl N Rh -","- C112 H132 Cl4 N4 Rh4 -","4","1","","Xavier Cattoën; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Amino-Aryl-Carbenes: Alternative Ligands for Transition Metals?","Journal of the American Chemical Society","2004","126","","1342","1343","10.1021/ja0396854","","","0.71073","MoKα","","0.0942","0.055","","","0.1176","0.1307","","","","","","1.108","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112183","17.577","0.002","19.64","0.003","19.871","0.003","69.092","0.002","69.336","0.003","85.822","0.003","5984.7","1.5","213","2","213","2","","","","","","","","5","P -1","-P 1","2","{[(DAniF)2Rh2]4(O12C44H44)2(OEt2)(CH3CN)4}*10(CH3CN)","","","- C240 H260 N30 O41 Rh8 -","- C240 H232 N30 O41 Rh8 -","- C240 H232 N30 O41 Rh8 -","1","0.5","","F. Albert Cotton; Peng Lei; Chun Lin; Carlos A. Murillo; Xiaoping Wang; Shu-Yan Yu; Zhong-Xing Zhang","A Calix[4]arene Carceplex with Four Rh24+ Fasteners","Journal of the American Chemical Society","2004","126","","1518","1525","10.1021/ja0396899","","","0.71073","MoKα","","0.1683","0.0879","","","0.201","0.2363","","","","","","1.127","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112184","20.257","0.009","24.161","0.01","26.445","0.011","75.223","0.007","67.977","0.007","66.997","0.007","10955","8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","{NEt4[cis-(DAniF)2Rh2]4[calix[4]arene(CO2)4]2(MeCN)2(H2O)2}(BF4),3.5H2O","","","- C220 H245 B F4 N19 O45.5 Rh8 -","- C220 H198 B F4 N19 O45.5 Rh8 -","- C440 H396 B2 F8 N38 O91 Rh16 -","2","1","","F. Albert Cotton; Peng Lei; Chun Lin; Carlos A. Murillo; Xiaoping Wang; Shu-Yan Yu; Zhong-Xing Zhang","A Calix[4]arene Carceplex with Four Rh24+ Fasteners","Journal of the American Chemical Society","2004","126","","1518","1525","10.1021/ja0396899","","","0.71073","MoKα","","0.163","0.0824","","","0.1834","0.234","","","","","","1.182","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112185","20.282","0.006","24.285","0.008","26.555","0.008","75.101","0.006","67.97","0.006","66.852","0.006","11056","6","213","2","213","2","","","","","","","","7","P -1","-P 1","2","{[NEt4[cis-(DAniF)2Rh2]4[calix[4]arene(CO2)4]2(MeCN)2(H2O)2] [NEt4[cis-(DAniF)2Rh2]4[calix[4]arene(CO2)4]2(NH2COMe)(MeCN)3(H2O)]} (BF4)2,6(H2O)","","","- C444 H494 B2 F8 N40 O90 Rh16 -","- C444 H407 B2 F8 N40 O90 Rh16 -","- C444 H407 B2 F8 N40 O90 Rh16 -","1","0.5","","F. Albert Cotton; Peng Lei; Chun Lin; Carlos A. Murillo; Xiaoping Wang; Shu-Yan Yu; Zhong-Xing Zhang","A Calix[4]arene Carceplex with Four Rh24+ Fasteners","Journal of the American Chemical Society","2004","126","","1518","1525","10.1021/ja0396899","","","0.71073","MoKα","","0.1651","0.0725","","","0.1542","0.1942","","","","","","1.083","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112186","12.0208","0.0006","13.1643","0.0006","23.138","0.0011","77.851","0.001","77.749","0.001","80.174","0.001","3467.4","0.3","213","2","213","2","","","","","","","","6","P -1","-P 1","2","Rh2(DAniF)2(calixarene-dicarboxy)","","","- C73 H78 Br2 N4 O13 Rh2 -","- C73 H77 Br2 N4 O13 Rh2 -","- C146 H154 Br4 N8 O26 Rh4 -","2","1","","F. Albert Cotton; Peng Lei; Chun Lin; Carlos A. Murillo; Xiaoping Wang; Shu-Yan Yu; Zhong-Xing Zhang","A Calix[4]arene Carceplex with Four Rh24+ Fasteners","Journal of the American Chemical Society","2004","126","","1518","1525","10.1021/ja0396899","","","0.71073","MoKα","","0.0672","0.0469","","","0.1219","0.1367","","","","","","1.028","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112187","12.1936","0.0008","14.4964","0.001","20.9932","0.0014","106.99","0.001","95.559","0.001","105.863","0.001","3350.1","0.4","213","2","213","2","","","","","","","","6","P -1","-P 1","2","Mo2(DAniF)2(Calix[4]aren","","","- C72 H74 Br2 Mo2 N4 O12 -","- C72 H74 Br2 Mo2 N4 O12 -","- C144 H148 Br4 Mo4 N8 O24 -","2","1","","F. Albert Cotton; Peng Lei; Chun Lin; Carlos A. Murillo; Xiaoping Wang; Shu-Yan Yu; Zhong-Xing Zhang","A Calix[4]arene Carceplex with Four Rh24+ Fasteners","Journal of the American Chemical Society","2004","126","","1518","1525","10.1021/ja0396899","","","0.71073","MoKα","","0.0728","0.0436","","","0.1017","0.1178","","","","","","1.018","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112188","10.2338","0.0012","18.178","0.002","14.1118","0.0016","90","","104.991","0.002","90","","2535.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B2 Cl2 P2 -","- C20 H46 B2 Cl2 P2 -","- C80 H184 B8 Cl8 P8 -","4","1","","Hideki Amii; Lidija Vranicar; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Radical-Type Reactivity of the 1,3-Dibora-2,4-Diphosphoniocyclobutane-1,3-diyl","Journal of the American Chemical Society","2004","126","","1344","1345","10.1021/ja039920i","","","0.71073","MoKα","","0.0416","0.0299","","","0.0708","0.0781","","","","","","1.073","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112189","13.2757","0.001","16.0434","0.0012","11.8224","0.0009","90","","90","","90","","2518","0.3","193","2","193","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H46 B2 Cl2 P2 -","- C20 H46 B2 Cl2 P2 -","- C80 H184 B8 Cl8 P8 -","4","0.5","","Hideki Amii; Lidija Vranicar; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Radical-Type Reactivity of the 1,3-Dibora-2,4-Diphosphoniocyclobutane-1,3-diyl","Journal of the American Chemical Society","2004","126","","1344","1345","10.1021/ja039920i","","","0.71073","MoKα","","0.0355","0.034","","","0.0882","0.0899","","","","","","1.061","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112190","10.2819","0.0012","10.5595","0.0012","13.0748","0.0015","77.516","0.002","72.12","0.002","67.15","0.002","1237.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H46 B2 P2 Se -","- C20 H46 B2 P2 Se -","- C40 H92 B4 P4 Se2 -","2","1","","Hideki Amii; Lidija Vranicar; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Radical-Type Reactivity of the 1,3-Dibora-2,4-Diphosphoniocyclobutane-1,3-diyl","Journal of the American Chemical Society","2004","126","","1344","1345","10.1021/ja039920i","","","0.71073","MoKα","","0.0389","0.0331","","","0.0777","0.0794","","","","","","1.136","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112191","19.684","0.002","10.1828","0.0011","14.0169","0.0016","90","","110.408","0.002","90","","2633.2","0.5","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20.5 H46 B2 Br Cl P2 -","- C20.5 H46 B2 Br Cl P2 -","- C82 H184 B8 Br4 Cl4 P8 -","4","1","","Hideki Amii; Lidija Vranicar; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Radical-Type Reactivity of the 1,3-Dibora-2,4-Diphosphoniocyclobutane-1,3-diyl","Journal of the American Chemical Society","2004","126","","1344","1345","10.1021/ja039920i","","","0.71073","MoKα","","0.0377","0.0301","","","0.072","0.0761","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112192","11.5058","0.0009","15.0388","0.0012","16.7911","0.0013","90","","90","","90","","2905.4","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H56 B2 P2 Sn -","- C23 H56 B2 P2 Sn -","- C92 H224 B8 P8 Sn4 -","4","1","","Hideki Amii; Lidija Vranicar; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Radical-Type Reactivity of the 1,3-Dibora-2,4-Diphosphoniocyclobutane-1,3-diyl","Journal of the American Chemical Society","2004","126","","1344","1345","10.1021/ja039920i","","","0.71073","MoKα","","0.0238","0.0224","","","0.0561","0.0568","","","","","","1.024","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112193","13.4955","0.0007","15.8447","0.0009","11.8988","0.0006","90","","90","","90","","2544.3","0.2","193","2","193","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H46 B2 Br2 P2 -","- C20 H46 B2 Br2 P2 -","- C80 H184 B8 Br8 P8 -","4","0.5","","Hideki Amii; Lidija Vranicar; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Radical-Type Reactivity of the 1,3-Dibora-2,4-Diphosphoniocyclobutane-1,3-diyl","Journal of the American Chemical Society","2004","126","","1344","1345","10.1021/ja039920i","","","0.71073","MoKα","","0.0466","0.0393","","","0.118","0.1226","","","","","","1.105","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112194","9.7777","0.0002","13.105","0.0003","16.9143","0.0004","95.057","0.001","96.028","0.001","102.347","0.001","2091.82","0.08","292","2","292","2","","","","","","","","3","P -1","-P 1","2","9-phenoxy-10-phenyl anthracene","","","- C29 H21 O -","- C29 H21 O -","- C116 H84 O4 -","4","2","","Robert L. Donkers; Mark S. Workentin","Elucidation of the Electron Transfer Reduction Mechanism of Anthracene Endoperoxides","Journal of the American Chemical Society","2004","126","","1688","1698","10.1021/ja035828a","","","0.71073","MoKα","","0.081","0.0516","","","0.1251","0.147","","","","","","1.029","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112195","12.3267","0.0011","18.641","0.002","24.487","0.003","90","0.002","92.332","0.002","90","0.002","5622","1","303.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 Co Cr3 Cs5 O58 W12 -","- C6 Co Cr3 Cs5 O58 W12 -","- C24 Co4 Cr12 Cs20 O232 W48 -","4","1","","Sayaka Uchida; Noritaka Mizuno","Zeotype Ionic Crystal of Cs5[Cr3O(OOCH)6(H2O)3][α-CoW12O40].7.5H2O with Shape-Selective Adsorption of Water","Journal of the American Chemical Society","2004","126","","1602","1603","10.1021/ja038063f","","","0.7107","MoKα","","","0.093","","","","0.115","","","","","","7.955","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112196","12.642","0.003","19.337","0.005","24.341","0.006","90","","89.644","0.004","90","","5950","3","123.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 Co Cr3 Cs5 O63.5 W12 -","- C6 Co Cr3 Cs5 O63.5 W12 -","- C24 Co4 Cr12 Cs20 O254 W48 -","4","1","","Sayaka Uchida; Noritaka Mizuno","Zeotype Ionic Crystal of Cs5[Cr3O(OOCH)6(H2O)3][α-CoW12O40].7.5H2O with Shape-Selective Adsorption of Water","Journal of the American Chemical Society","2004","126","","1602","1603","10.1021/ja038063f","","","0.7107","MoKα","","","0.045","","","","0.056","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112197","9.0217","0.0016","12.074","0.002","12.172","0.002","81.301","0.004","78.514","0.004","86.638","0.003","1283.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Ti(NPh)(NHMe2)2(dpma)","","","- C22 H34 Cl2 N6 Ti -","- C22 H34 Cl2 N6 Ti -","- C44 H68 Cl4 N12 Ti2 -","2","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.0593","0.04","","","0.0975","0.1044","","","","","","1.091","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112198","9.16","0.003","18.584","0.005","12.825","0.004","90","","99.86","0.02","90","","2150.9","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ti(NPh)(DME)(dpma)","","","- C42 H56 N8 O4 Ti2 -","- C42 H56 N8 O4 Ti2 -","- C84 H112 N16 O8 Ti4 -","2","0.5","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.0623","0.0406","","","0.1089","0.1182","","","","","","1.055","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112199","11.3047","0.0018","20.237","0.003","17.69","0.003","90","","107.978","0.003","90","","3849.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ti(NPh)(dpma)(But-bpy)","","","- C37 H46 Cl4 N6 Ti -","- C37 H46 Cl4 N6 Ti -","- C148 H184 Cl16 N24 Ti4 -","4","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.1695","0.0942","","","0.2479","0.2901","","","","","","0.981","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112200","20.186","0.005","10.166","0.002","25.483","0.006","90","","99.8","0.005","90","","5153","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ti(NHNC5H10)2(dpma)","","","- C22 H35 Cl2 N7 Ti -","- C22 H35 Cl2 N7 Ti -","- C176 H280 Cl16 N56 Ti8 -","8","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.0956","0.0421","","","0.0922","0.1056","","","","","","0.918","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112201","14.816","0.003","15.601","0.003","16.673","0.003","72.03","0.03","65.48","0.03","64.91","0.03","3134.1","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Ti(NPh)(NHMe2)2(dpma)/[Ti(NPh)(dpma)]2/Et2O/0.5 aniline","","","- C62 H78 N14.5 O Ti3 -","- C62 H78 N14.5 O Ti3 -","- C124 H156 N29 O2 Ti6 -","2","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.1089","0.0495","","","0.1071","0.1237","","","","","","0.977","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112202","12.997","0.011","20.424","0.017","14.061","0.012","90","","102.151","0.017","90","","3649","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ti(NNMe2)(But-bpy)(dpma)","","","- C38 H51 N7 Ti -","- C38 H51 N7 Ti -","- C152 H204 N28 Ti4 -","4","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.0853","0.0446","","","0.1027","0.1225","","","","","","1.005","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112203","14.154","0.003","15.074","0.004","19.552","0.005","90","","97.375","0.005","90","","4137.1","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ti(NNMe3)(But-bpy)(dpma)]I","","","- C34 H50 Cl4 I N7 Ti -","- C34 H50 Cl4 I N7 Ti -","- C136 H200 Cl16 I4 N28 Ti4 -","4","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.1177","0.0863","","","0.2504","0.2671","","","","","","1.055","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112204","20.186","0.005","10.166","0.002","25.483","0.006","90","","99.8","0.005","90","","5153","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ti(NHNC5H10)2(dpma).CH2Cl2","","","- C22 H35 Cl2 N7 Ti -","- C22 H35 Cl2 N7 Ti -","- C176 H280 Cl16 N56 Ti8 -","8","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.0956","0.0421","","","0.0922","0.1056","","","","","","0.918","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112205","8.2439","0.0014","21.395","0.004","19.18","0.003","90","","92.23","0.003","90","","3380.4","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ti(NNMe2)(dpma).1/2 toluene","","","- C33 H46 N10 Ti2 -","- C33 H46 N10 Ti2 -","- C132 H184 N40 Ti8 -","4","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.1181","0.0604","","","0.1498","0.1738","","","","","","1.001","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4112206","47.32","0.01","4.9123","0.0008","10.9439","0.0007","90","","91.24","0.01","90","","2543.3","0.7","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H17 N O2 -","- C14 H17 N O2 -","- C112 H136 N8 O16 -","8","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0892","","","","0.2227","","","","","","1.382","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112207","43.701","0.003","4.9008","0.0004","10.9131","0.0008","90","","104.169","0.004","90","","2266.2","0.3","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C104 H120 N8 O16 -","8","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.076","","","","0.2083","","","","","","1.829","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112208","63.167","0.01","4.9276","0.0009","10.688","0.001","90","","90.317","0.004","90","","3326.7","0.9","203.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H25 N O2 -","- C18 H25 N O2 -","- C144 H200 N8 O16 -","8","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0853","","","","0.2524","","","","","","1.443","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112209","10.8715","0.0004","4.8081","0.0002","34.691","0.002","90","","91.415","0.004","90","","1812.79","0.15","203.2","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C20 H29 N O2 -","- C20 H29 N O2 -","- C80 H116 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0532","","","","0.1623","","","","","","1.788","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112210","10.8779","0.0008","4.7946","0.0005","36.692","0.004","90","","94.818","0.006","90","","1906.9","0.3","203.2","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C21 H31 N O2 -","- C21 H31 N O2 -","- C84 H124 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0562","","","","0.1628","","","","","","1.278","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112211","10.9392","0.0006","4.8173","0.0002","46.006","0.002","90","","89.678","0.002","90","","2424.4","0.2","296.2","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C26 H41 N O2 -","- C26 H41 N O2 -","- C104 H164 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0501","","","","0.1609","","","","","","1.132","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112212","10.905","0.003","4.837","0.002","54.96","0.02","90","","91.938","0.008","90","","2897.3","1.8","296.2","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C31 H51 N O2 -","- C31 H50 N O2 -","- C124 H200 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0923","","","","0.2936","","","","","","1.639","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112213","5.5705","0.0004","11.978","0.001","21.431","0.003","90","","90","","90","","1430","0.3","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O2 -","- C15 H19 N O2 -","- C60 H76 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0578","","","","0.1601","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112214","11.899","0.002","6.0741","0.0004","21.172","0.002","90","","102.289","0.006","90","","1495.2","0.3","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0984","","","","0.2618","","","","","","1.749","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112215","12.435","0.002","6.1477","0.0007","21.507","0.002","90","","97.73","0.02","90","","1629.2","0.4","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N O2 -","- C17 N O2 -","- C68 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.1033","","","","0.2215","","","","","","2.271","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112216","10.871","0.001","4.9114","0.0005","27.191","0.003","90","","96.117","0.005","90","","1443.5","0.3","296.2","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C16 H21 N O2 -","- C16 H22 N O2 -","- C64 H88 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0598","","","","0.1801","","","","","","1.406","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112217","11.0534","0.0001","4.8418","0.0005","15.1842","0.0001","90","","107.566","0.004","90","","774.74","0.08","213.2","","","","","","","","","","","4","P 1 a 1","P -2ya","7","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C34 H46 N2 O4 -","2","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0545","","","","0.1289","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112218","52.203","0.004","4.8399","0.0003","11.16","0.0009","90","","100.787","0.004","90","","2769.8","0.4","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C128 H152 N8 O16 -","8","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.1657","","","","0.3752","","","","","","1.66","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112219","11.104","0.001","4.7946","0.0005","13.722","0.001","90","","91.274","0.006","90","","730.37","0.11","218.2","","","","","","","","","","","4","P 1 a 1","P -2ya","7","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0782","","","","0.2003","","","","","","3.707","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112220","5.6039","0.0003","11.836","0.001","24.532","0.003","90","","90","","90","","1627.2","0.3","203.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0477","","","","0.1314","","","","","","0.936","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112221","52.367","0.004","4.7443","0.0003","11.5947","0.0004","90","","93.372","0.003","90","","2875.7","0.3","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N O2 -","- C18 H17 N O2 -","- C144 H136 N8 O16 -","8","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0602","","","","0.1866","","","","","","1.354","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112222","11.8255","0.0005","24","0.001","5.9437","0.0002","90","","90","","90","","1686.89","0.12","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.058","","","","0.1597","","","","","","1.117","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112223","54.642","0.003","4.9909","0.0001","11.0533","0.0001","90","","99.442","0.002","90","","2973.54","0.18","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C136 H152 N8 O16 -","8","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","0.7107","MoKα","","","0.0604","","","","0.192","","","","","","0.924","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112224","34.8215","0.0007","10.4972","0.0002","14.3434","0.0003","90","","90","","90","","5242.92","0.18","173","","173","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C23 H41 Cl Ir O3 P2 -","- C23 H41 Cl Ir O3 P2 -","- C184 H328 Cl8 Ir8 O24 P16 -","8","1","","Inigo Göttker-Schnetmann; Peter White; Maurice Brookhart","Iridium Bis(phosphinite)p-XPCP Pincer Complexes: Highly Active Catalysts for the Transfer Dehydrogenation of Alkanes","Journal of the American Chemical Society","2004","126","","1804","1811","10.1021/ja0385235","","","0.71073","MolybdenumKα","","0.058","0.036","","0.041","0.037","","","","","1.62","1.62","","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112225","12.017","0.005","14.236","0.006","12.309","0.005","90","","104.661","0.005","90","","2037.2","1.5","223.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Shunichi Fukuzumi; Hiroaki Kotani; Kei Ohkubo; Seiji Ogo; Nikolai V. Tkachenko; Helge Lemmetyinen","Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion with a Much Longer Lifetime and Higher Energy Than That of the Natural Photosynthetic Reaction Center","Journal of the American Chemical Society","2004","126","","1600","1601","10.1021/ja038656q","","","0.7107","MoKα","","","0.0617","","","","0.1687","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112226","12.198","0.002","6.272","0.001","14.501","0.003","90","","107.04","0.01","90","","1060.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C40 H68 N4 O12 -","4","1","","Frederick A. Villamena; Christopher M. Hadad; Jay L. Zweier","Theoretical Study of the Spin Trapping of Hydroxyl Radical by Cyclic Nitrones: A Density Functional Theory Approach","Journal of the American Chemical Society","2004","126","","1816","1829","10.1021/ja038838k","","","0.71073","MoKα","","0.05","0.037","","0.0951","0.0867","","","","1.053","1.074","1.074","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112227","8.8832","0.0003","14.7504","0.0005","9.3656","0.0003","90","","110.851","0.001","90","","1146.81","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H22 N2 S -","- C9 H22 N2 S -","- C36 H88 N8 S4 -","4","1","","D. Leusser; J. Henn; N. Kocher; B. Engels; D. Stalke","SN versus S+N-: An Experimental and Theoretical Charge Density Study","Journal of the American Chemical Society","2004","126","","1781","1793","10.1021/ja038941+","","","0.71073","MoKα","","0.0381","0.0277","","","0.0663","0.0691","","","","","","0.912","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112228","29.8239","0.0008","11.4206","0.0003","18.0801","0.0004","90","","91.041","0.001","90","","6157.2","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H58 N6 S2 -","- C25 H58 N6 S2 -","- C200 H464 N48 S16 -","8","1","","D. Leusser; J. Henn; N. Kocher; B. Engels; D. Stalke","SN versus S+N-: An Experimental and Theoretical Charge Density Study","Journal of the American Chemical Society","2004","126","","1781","1793","10.1021/ja038941+","","","0.71073","MoKα","","0.0487","0.0315","","","0.0865","0.0932","","","","","","0.969","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112229","5.9699","0.0003","9.2877","0.0004","9.9338","0.0004","72.505","0.001","88.338","0.001","84.661","0.001","523.04","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H19 N2 S -","- C8 H18 N2 S -","- C16 H36 N4 S2 -","2","1","","D. Leusser; J. Henn; N. Kocher; B. Engels; D. Stalke","SN versus S+N-: An Experimental and Theoretical Charge Density Study","Journal of the American Chemical Society","2004","126","","1781","1793","10.1021/ja038941+","","","0.71073","MoKα","","0.0509","0.0324","","","0.0775","0.082","","","","","","0.885","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112230","9.3228","0.0003","9.3455","0.0003","10.6675","0.0003","70.515","0.001","77.571","0.001","60.554","0.001","761.52","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H27 N3 S -","- C12 H27 N3 S -","- C24 H54 N6 S2 -","2","1","","D. Leusser; J. Henn; N. Kocher; B. Engels; D. Stalke","SN versus S+N-: An Experimental and Theoretical Charge Density Study","Journal of the American Chemical Society","2004","126","","1781","1793","10.1021/ja038941+","","","0.71073","MoKα","","0.0343","0.028","","","0.073","0.075","","","","","","0.98","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112231","9.9918","0.0001","10.3292","0.0001","11.8025","0.0002","89.8091","0.0006","89.7055","0.0006","81.5132","0.0006","1204.75","0.03","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 N5 O2 -","- C31 H25 N5 O2 -","- C62 H50 N10 O4 -","2","1","","He-Chun Chou; Chin-Hao Hsu; Yi-Ming Cheng; Chung-Chih Cheng; Hsiao-Wei Liu; Shih-Chieh Pu; Pi-Tai Chou","Multiple Hydrogen Bonds Tuning Guest/Host Excited-State Proton Transfer Reaction: Its Application in Molecular Recognition","Journal of the American Chemical Society","2004","126","","1650","1651","10.1021/ja039240f","","","0.71073","MoKα","","0.0856","0.0615","","","0.153","0.1727","","","","","","1.062","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112232","11.0348","0.0006","12.5531","0.0007","14.0159","0.0008","88.743","0.001","75.343","0.001","87.515","0.001","1876.43","0.18","298","2","298","2","","","","","","","","7","P -1","-P 1","2","compound (4).CH2Cl2","","","- C32 H42 B Cl2 Ir N6 O8 -","- C31 H40 B Cl0 Ir N6 O8 -","- C62 H80 B2 Cl0 Ir2 N12 O16 -","2","1","","Margarita Paneque; Manuel L. Poveda; Nuria Rendón; Kurt Mereiter","Isolation of a Stable 1-Iridabicyclo[3.2.0]hepta-1,3,6-triene and Its Reversible Transformation into an Iridacycloheptatriene","Journal of the American Chemical Society","2004","126","","1610","1611","10.1021/ja0393527","","","0.71073","MoKα","","0.0288","0.0246","","","0.0639","0.065","","","","","","1.025","","","","has coordinates,has disorder","178893","2020-10-21","18:00:00",""
"4112233","13.911","0.001","14.533","0.001","16.558","0.001","90","","90","","90","","3347.5","0.4","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","compound 2.(ca. 1.25H2O)","","","- C27 H38.5 B Ir N6 O10.25 -","- C27 H38 B Ir N6 O10.261 -","- C108 H152 B4 Ir4 N24 O41.044 -","4","1","","Margarita Paneque; Manuel L. Poveda; Nuria Rendón; Kurt Mereiter","Isolation of a Stable 1-Iridabicyclo[3.2.0]hepta-1,3,6-triene and Its Reversible Transformation into an Iridacycloheptatriene","Journal of the American Chemical Society","2004","126","","1610","1611","10.1021/ja0393527","","","0.71073","MoKα","","0.0381","0.0301","","","0.0682","0.0723","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112234","6.5819","0.0002","11.1635","0.0003","21.5458","0.0008","90","","90","","90","","1583.12","0.09","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Gary A. Molander; David J. St. Jean; Julia Haas","Toward a General Route to the Eunicellin Diterpenes: The Asymmetric Total Synthesis of Deacetoxyalcyonin Acetate","Journal of the American Chemical Society","2004","126","","1642","1643","10.1021/ja0398464","","","0.71069","MoKα","","0.0504","0.0454","","0.109","0.1052","","","","1.048","1.057","1.057","","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112235","13.906","0.009","5.635","0.003","14.432","0.009","90.22","0.03","104.7","0.019","90.45","0.03","1093.8","1.1","143","1","143","1","","","","","","","","3","P 1","P 1","1","","","","- C20 H28 O6 -","- C20 H28 O5 -","- C40 H56 O10 -","2","2","","Gary A. Molander; David J. St. Jean; Julia Haas","Toward a General Route to the Eunicellin Diterpenes: The Asymmetric Total Synthesis of Deacetoxyalcyonin Acetate","Journal of the American Chemical Society","2004","126","","1642","1643","10.1021/ja0398464","","","0.7107","MoKα","","0.1471","0.1252","","","0.3121","0.3409","","","","","","1.322","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112236","5.6107","0.0008","9.725","0.0016","25.856","0.004","90","","90","","90","","1410.8","0.4","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 O2 -","- C16 H24 O2 -","- C64 H96 O8 -","4","1","","Gary A. Molander; David J. St. Jean; Julia Haas","Toward a General Route to the Eunicellin Diterpenes: The Asymmetric Total Synthesis of Deacetoxyalcyonin Acetate","Journal of the American Chemical Society","2004","126","","1642","1643","10.1021/ja0398464","","","0.7107","MoKα","","0.0525","0.044","","","0.0925","0.0972","","","","","","1.109","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112237","10.3569","0.0013","11.7844","0.0015","14.8684","0.0019","90","","90","","90","","1814.7","0.4","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Gary A. Molander; David J. St. Jean; Julia Haas","Toward a General Route to the Eunicellin Diterpenes: The Asymmetric Total Synthesis of Deacetoxyalcyonin Acetate","Journal of the American Chemical Society","2004","126","","1642","1643","10.1021/ja0398464","","","0.7107","MoKα","","0.0377","0.0343","","","0.0835","0.0858","","","","","","1.03","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112238","8.6523","0.0016","13.943","0.003","17.078","0.003","90","","90","","90","","2060.3","0.7","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O4 -","- C22 H34 O4 -","- C88 H136 O16 -","4","1","","Gary A. Molander; David J. St. Jean; Julia Haas","Toward a General Route to the Eunicellin Diterpenes: The Asymmetric Total Synthesis of Deacetoxyalcyonin Acetate","Journal of the American Chemical Society","2004","126","","1642","1643","10.1021/ja0398464","","","0.71069","MoKα","","0.0787","0.0656","","","0.1636","0.1764","","","","","","1.064","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112239","7.1098","0.0001","24.8571","0.0006","8.1218","0.0002","90","","90.253","0.001","90","","1435.34","0.05","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[CyPVi3]+I-","","","- C12 H20 I P -","- C12 H20 I P -","- C48 H80 I4 P4 -","4","1","","Uwe V. Monkowius; Stefan D. Nogai; Hubert Schmidbaur","The Tetra(vinyl)phosphonium Cation [(CH2CH)4P]+","Journal of the American Chemical Society","2004","126","","1632","1633","10.1021/ja0399019","","","0.71073","MoKα","","0.0308","0.0264","","","0.0574","0.0597","","","","","","1.113","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112240","19.3966","0.0003","13.7062","0.0002","9.916","0.0001","90","","90","","90","","2636.21","0.06","143","2","143","2","","","","","","","","4","P n m a","-P 2ac 2n","62","[PVi4]+[BPh4]-","","","- C32 H32 B P -","- C32 H32 B P -","- C128 H128 B4 P4 -","4","0.5","","Uwe V. Monkowius; Stefan D. Nogai; Hubert Schmidbaur","The Tetra(vinyl)phosphonium Cation [(CH2CH)4P]+","Journal of the American Chemical Society","2004","126","","1632","1633","10.1021/ja0399019","","","0.71073","MoKα","","0.0524","0.0496","","","0.1229","0.125","","","","","","1.071","","","","has coordinates,has disorder","178893","2020-10-21","18:00:00",""
"4112241","10.3108","0.0001","14.585","0.0002","15.6994","0.0003","90","","100.11","0.0006","90","","2324.26","0.06","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[BVi4]-[MePPh3]+","","","- C27 H30 B P -","- C27 H30 B P -","- C108 H120 B4 P4 -","4","1","","Uwe V. Monkowius; Stefan D. Nogai; Hubert Schmidbaur","The Tetra(vinyl)phosphonium Cation [(CH2CH)4P]+","Journal of the American Chemical Society","2004","126","","1632","1633","10.1021/ja0399019","","","0.71073","MoKα","","0.0449","0.0419","","","0.1009","0.1031","","","","","","1.03","","","","has coordinates,has disorder","178893","2020-10-21","18:00:00",""
"4112242","10.5931","0.0001","10.593","","37.5286","0.0006","90","","90","","90","","4211.19","0.08","143","2","143","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","[P(CH2CH2OAc)4]+I-","","","- C16 H28 I O8 P -","- C16 H28 I O8 P -","- C128 H224 I8 O64 P8 -","8","0.5","","Uwe V. Monkowius; Stefan D. Nogai; Hubert Schmidbaur","The Tetra(vinyl)phosphonium Cation [(CH2CH)4P]+","Journal of the American Chemical Society","2004","126","","1632","1633","10.1021/ja0399019","","","0.71073","MoKα","","0.0258","0.024","","","0.0684","0.0714","","","","","","1.227","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112243","9.802","0.0012","10.9657","0.0013","20.323","0.002","81.917","0.002","89.293","0.002","72.296","0.002","2059.2","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","MAGPR01","","","- C25 H22 O3 S -","- C25 H22 O3 S -","- C100 H88 O12 S4 -","4","2","","Nabi A. Magomedov; Piero L. Ruggiero; Yuchen Tang","Remarkably Facile Hexatriene Electrocyclizations as a Route to Functionalized Cyclohexenones via Ring Expansion of Cyclobutenones","Journal of the American Chemical Society","2004","126","","1624","1625","10.1021/ja0399066","","","0.71073","MoKα","","0.0854","0.0562","","","0.1211","0.1318","","","","","","1.029","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112244","6.8553","0.0007","8.3097","0.0008","11.1075","0.0011","79.55","0.002","84.044","0.002","85.155","0.002","617.49","0.11","193","2","193","2","","","","","","","","4","P -1","-P 1","2","MAGPR02","","","- C14 H14 O3 S -","- C14 H14 O3 S -","- C28 H28 O6 S2 -","2","1","","Nabi A. Magomedov; Piero L. Ruggiero; Yuchen Tang","Remarkably Facile Hexatriene Electrocyclizations as a Route to Functionalized Cyclohexenones via Ring Expansion of Cyclobutenones","Journal of the American Chemical Society","2004","126","","1624","1625","10.1021/ja0399066","","","0.71073","MoKα","","0.0501","0.038","","","0.0925","0.0977","","","","","","1.07","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112245","8.1957","0.0006","9.8799","0.0007","13.1784","0.0009","99.176","0.001","98.87","0.001","98.501","0.001","1024.45","0.13","193","2","193","2","","","","","","","","4","P -1","-P 1","2","MAGYT01","","","- C26 H22 O3 S -","- C26 H22 O3 S -","- C52 H44 O6 S2 -","2","1","","Nabi A. Magomedov; Piero L. Ruggiero; Yuchen Tang","Remarkably Facile Hexatriene Electrocyclizations as a Route to Functionalized Cyclohexenones via Ring Expansion of Cyclobutenones","Journal of the American Chemical Society","2004","126","","1624","1625","10.1021/ja0399066","","","0.71073","MoKα","","0.0675","0.0521","","","0.1237","0.131","","","","","","1.022","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112246","35.8248","0.0011","23.1245","0.0011","40.7231","0.0016","90","","113.234","0.002","90","","31000","2","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C198.38 H380.76 Cl4.76 Mn30 N4 O106 -","- C198.376 H380.752 Cl4.752 Mn30 N4 O106 -","- C793.504 H1523.01 Cl19.008 Mn120 N16 O424 -","4","0.5","","Monica Soler; Wolfgang Wernsdorfer; Kirsten Folting; Maren Pink; George Christou","Single-Molecule Magnets: A Large Mn30 Molecular Nanomagnet Exhibiting Quantum Tunneling of Magnetization","Journal of the American Chemical Society","2004","126","","2156","2165","10.1021/ja0297638","","","0.71073","MoKα","","0.1414","0.0885","","","0.2718","0.3208","","","","","","1.118","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4112247","18.755","0.002","32.165","0.004","44.134","0.006","90","","90","","90","","26624","6","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C1000 H1000 N500 O500 -","- C1252 N288 O138 -","- C1252 N288 O138 -","1","0.25","","Young Ho Ko; Kyungpil Kim; Jin-Koo Kang; Hyungphil Chun; Jae Wook Lee; Shigeru Sakamoto; Kentaro Yamaguchi; James C. Fettinger; Kimoon Kim","Designed Self-Assembly of Molecular Necklaces Using Host-Stabilized Charge-Transfer Interactions","Journal of the American Chemical Society","2004","126","","1932","1933","10.1021/ja031567t","","","0.71073","MoKα","","0.2864","0.2","","","0.452","0.4994","","","","","","1.62","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112248","7.504","0.001","7.611","0.001","13.86","0.001","84.1","0.01","88.18","0.01","80.42","0.01","776.32","0.16","198","2","198","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 Zr -","- C19 H22 Zr -","- C38 H44 Zr2 -","2","1","","Joachim W. Strauch; Jean-Luc Fauré; Stéphane Bredeau; Cun Wang; Gerald Kehr; Roland Fröhlich; Heinrich Luftmann; Gerhard Erker","(Butadiene)metallocene/B(C6F5)3 Pathway to Catalyst Systems for Stereoselective Methyl Methacrylate Polymerization: Evidence for an Anion Dependent Metallocene Catalyzed Polymerization Process","Journal of the American Chemical Society","2004","126","","2089","2104","10.1021/ja035739y","","","0.71073","MoKα","","0.0443","0.0352","","","0.0791","0.0833","","","","","","1.04","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112249","7.946","0.001","9.841","0.001","12.337","0.001","73.36","0.01","77.47","0.01","68.24","0.01","851.77","0.17","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 Cl2 Si Zr -","- C15 H20 Cl2 Si Zr -","- C30 H40 Cl4 Si2 Zr2 -","2","1","","Joachim W. Strauch; Jean-Luc Fauré; Stéphane Bredeau; Cun Wang; Gerald Kehr; Roland Fröhlich; Heinrich Luftmann; Gerhard Erker","(Butadiene)metallocene/B(C6F5)3 Pathway to Catalyst Systems for Stereoselective Methyl Methacrylate Polymerization: Evidence for an Anion Dependent Metallocene Catalyzed Polymerization Process","Journal of the American Chemical Society","2004","126","","2089","2104","10.1021/ja035739y","","","0.71073","MoKα","","0.051","0.0334","","","0.0589","0.064","","","","","","1.029","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112250","9.939","0.001","12.73","0.001","15.109","0.001","90","","106.39","0.01","90","","1834","0.3","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl2 Si Zr -","- C16 H22 Cl2 Si Zr -","- C64 H88 Cl8 Si4 Zr4 -","4","1","","Joachim W. Strauch; Jean-Luc Fauré; Stéphane Bredeau; Cun Wang; Gerald Kehr; Roland Fröhlich; Heinrich Luftmann; Gerhard Erker","(Butadiene)metallocene/B(C6F5)3 Pathway to Catalyst Systems for Stereoselective Methyl Methacrylate Polymerization: Evidence for an Anion Dependent Metallocene Catalyzed Polymerization Process","Journal of the American Chemical Society","2004","126","","2089","2104","10.1021/ja035739y","","","0.71073","MoKα","","0.0961","0.0709","","","0.1661","0.1775","","","","","","1.015","","","","has coordinates,has disorder","178893","2020-10-21","18:00:00",""
"4112251","10.5307","0.0004","14.7683","0.0005","19.5511","0.0007","90","","92.604","0.001","90","","3037.46","0.19","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H51 N2 P2 Re Si2 -","- C25 H51 N2 P2 Re Si2 -","- C100 H204 N8 P8 Re4 Si8 -","4","1","","Oleg V. Ozerov; Maren Pink; Lori A. Watson; Kenneth G. Caulton","Aromatic vs Aliphatic C-H Cleavage of Alkyl-Substituted Pyridines by (PNPiPr)Re Compounds","Journal of the American Chemical Society","2004","126","","2105","2113","10.1021/ja036999i","","","0.71073","MoKα","","0.0181","0.0161","","","0.0408","0.0419","","","","","","1.064","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4112252","12.887","0.0004","16.9003","0.0005","14.1618","0.0004","90","","90","","90","","3084.36","0.16","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H51 N2 P2 Re Si2 -","- C24 H51 N2 P2 Re Si2 -","- C96 H204 N8 P8 Re4 Si8 -","4","0.5","","Oleg V. Ozerov; Maren Pink; Lori A. Watson; Kenneth G. Caulton","Aromatic vs Aliphatic C-H Cleavage of Alkyl-Substituted Pyridines by (PNPiPr)Re Compounds","Journal of the American Chemical Society","2004","126","","2105","2113","10.1021/ja036999i","","","0.71073","MoKα","","0.016","0.0146","","","0.0379","0.0386","","","","","","1.106","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4112253","19.3458","0.0008","10.7479","0.0004","18.3294","0.0007","90","","113.714","0.001","90","","3489.4","0.2","120","2","120","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H56 N3 P2 Re Si2 -","- C30 H56 N3 P2 Re Si2 -","- C120 H224 N12 P8 Re4 Si8 -","4","1","","Oleg V. Ozerov; Maren Pink; Lori A. Watson; Kenneth G. Caulton","Aromatic vs Aliphatic C-H Cleavage of Alkyl-Substituted Pyridines by (PNPiPr)Re Compounds","Journal of the American Chemical Society","2004","126","","2105","2113","10.1021/ja036999i","","","0.71073","MoKα","","0.036","0.0266","","","0.0588","0.0622","","","","","","1.025","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4112254","9.961","0.004","20.869","0.005","9.596","0.004","90","","90","","90","","1994.8","1.2","293","2","180","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 O6 -","- C19 H32 O6 -","- C76 H128 O24 -","4","1","","Paul T. O'Sullivan; Wilm Buhr; Mary Ann M. Fuhry; Justin R. Harrison; John E. Davies; Neil Feeder; David R. Marshall; Jonathan W. Burton; Andrew B. Holmes","A Concise Synthesis of the Octalactins","Journal of the American Chemical Society","2004","126","","2194","2207","10.1021/ja038353w","","","0.71073","MoKα","","0.0792","0.0448","","0.0838","0.0755","","","","0.95","1.013","1.013","","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112255","12.843","0.002","12.843","0.002","7.107","0.003","90","","90","","120","","1015.2","0.5","180","2","180","2","","","","","","","","3","P 31","P 31","144","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C39 H60 O15 -","3","1","","Paul T. O'Sullivan; Wilm Buhr; Mary Ann M. Fuhry; Justin R. Harrison; John E. Davies; Neil Feeder; David R. Marshall; Jonathan W. Burton; Andrew B. Holmes","A Concise Synthesis of the Octalactins","Journal of the American Chemical Society","2004","126","","2194","2207","10.1021/ja038353w","","","0.71069","MoKα","","0.0613","0.0443","","0.1013","0.0938","","","","1.05","1.098","1.098","","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112256","8.6787","0.0007","7.5719","0.0007","12.761","0.001","90","","105.193","0.002","90","","809.27","0.12","298.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","0.7107","MoKα","","","0.0458","","","","0.1326","","","","","","1.273","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112257","8.6023","0.0004","8.889","0.002","5.287","0.0006","96.305","0.004","105.636","0.005","87.323","0.008","386.9","0.1","298.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C8 H8 O4 -","- C8 H8 O4 -","- C16 H16 O8 -","2","1","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","0.7107","MoKα","","","0.0623","","","","0.1834","","","","","","1.822","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112258","13.483","0.002","21.392","0.003","6.8956","0.0009","90","","90","","90","","1988.9","0.5","296.2","","","","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C80 H96 O32 -","8","1","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","1.5418","CuKα","","","0.0721","","","","0.1558","","","","","","1.561","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112259","24.6","0.01","9.724","0.001","10.864","0.002","90","","109.32","0.02","90","","2452.4","1.2","197.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 O8 -","- C24 H32 O8 -","- C96 H128 O32 -","4","0.5","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","0.7107","MoKα","","","0.0525","","","","0.1169","","","","","","1.67","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112260","15.76","0.006","8.4013","0.0008","19.395","0.002","90","","99.29","0.02","90","","2534.3","1","197.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 O8 -","- C24 H32 O8 -","- C96 H128 O32 -","4","0.5","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","0.7107","MoKα","","","0.0528","","","","0.0907","","","","","","1.513","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112261","10.8775","0.0008","7.9949","0.0003","18.0881","0.0009","90","","92.459","0.004","90","","1571.57","0.15","204.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","1","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","1.5418","CuKα","","","0.0557","","","","0.1506","","","","","","1.862","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112262","7.646","0.0005","15.981","0.002","10.006","0.001","90","","105.371","0.004","90","","1178.9","0.2","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl4 O8 -","- C20 H20 Cl4 O8 -","- C40 H40 Cl8 O16 -","2","0.5","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","1.5418","CuKα","","","0.0512","","","","0.1331","","","","","","1.37","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112263","11.934","0.003","7.64","0.001","12.737","0.002","90","","97.145","0.009","90","","1152.3","0.4","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl4 O8 -","- C20 H20 Cl4 O8 -","- C40 H40 Cl8 O16 -","2","0.5","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","1.5418","CuKα","","","0.1074","","","","0.2534","","","","","","3.243","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112264","6.9884","0.0008","7.7551","0.0006","12.177","0.001","102.295","0.003","97.575","0.003","106.277","0.006","605.92","0.1","193.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 Br4 O8 -","- C20 H20 Br4 O8 -","- C20 H20 Br4 O8 -","1","0.5","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","1.5418","CuKα","","","0.1034","","","","0.3566","","","","","","1.754","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112265","4.9861","0.0005","30.653","0.002","8.0969","0.0005","90","","98.386","0.004","90","","1224.29","0.17","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br4 O8 -","- C20 H20 Br4 O8 -","- C40 H40 Br8 O16 -","2","0.5","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","1.5418","CuKα","","","0.0697","","","","0.196","","","","","","1.485","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112266","9.1628","0.0018","9.954","0.002","10.825","0.002","88.81","0.03","81.14","0.03","76.49","0.03","948.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H36 Cu P -","- C19 H36 Cu P -","- C38 H72 Cu2 P2 -","2","1","","Frank Schaper; Stephen R. Foley; Richard F. Jordan","Acrylonitrile Polymerization by Cy3PCuMe and (Bipy)2FeEt2","Journal of the American Chemical Society","2004","126","","2114","2124","10.1021/ja039018a","","","0.71073","MoKα","","0.0254","0.025","","","0.0672","0.0675","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112267","23.245","0.004","20.453","0.004","24.056","0.005","90","","92.674","0.006","90","","11424","4","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H89 N2 P2 V -","- C59 H88.5 N2 P2 V -","- C472 H708 N16 P16 V8 -","8","2","","Falguni Basuli; Brad C. Bailey; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal and Four-Coordinate Vanadium(IV) Phosphinidene Complexes. A Pseudo Jahn-Teller Effect of Second Order Stabilizing the V-P Multiple Bond","Journal of the American Chemical Society","2004","126","","1924","1925","10.1021/ja0392216","","","0.71073","MoKα","","0.1358","0.0991","","","0.2409","0.256","","","","","","1.128","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112268","11.6061","0.0011","20.072","0.002","22.09","0.002","92.901","0.003","98.233","0.002","94.051","0.002","5070.7","0.8","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","","","- C53.25 H81 N2 P V -","- C53.25 H81 N2 P V -","- C213 H324 N8 P4 V4 -","4","2","","Falguni Basuli; Brad C. Bailey; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal and Four-Coordinate Vanadium(IV) Phosphinidene Complexes. A Pseudo Jahn-Teller Effect of Second Order Stabilizing the V-P Multiple Bond","Journal of the American Chemical Society","2004","126","","1924","1925","10.1021/ja0392216","","","0.71073","MoKα","","0.0805","0.0398","","","0.0809","0.0867","","","","","","0.851","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112269","21.442","0.005","23.415","0.005","20.355","0.005","90","","113.933","0.006","90","","9341","4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H75 N2 P V -","- C49 H75 N2 P V -","- C392 H600 N16 P8 V8 -","8","2","","Falguni Basuli; Brad C. Bailey; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal and Four-Coordinate Vanadium(IV) Phosphinidene Complexes. A Pseudo Jahn-Teller Effect of Second Order Stabilizing the V-P Multiple Bond","Journal of the American Chemical Society","2004","126","","1924","1925","10.1021/ja0392216","","","0.71073","MoKα","","0.1548","0.0698","","","0.1525","0.1658","","","","","","0.86","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112270","11.4072","0.0005","34.6761","0.0015","20.2364","0.0009","90","","97.845","0.001","90","","7929.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H61 Cl Os P2 -","- C42 H61 Cl Os P2 -","- C336 H488 Cl8 Os8 P16 -","8","2","","Pilar Barrio; Miguel A. Esteruelas; Enrique Oñate","Preparation and Characterization of an Isometallabenzene with the Structure of a 1,2,4-Cyclohexatriene","Journal of the American Chemical Society","2004","126","","1946","1947","10.1021/ja039633e","","","0.71073","MoKα","","0.0561","0.0377","","","0.0669","0.0774","","","","","","1.022","","","","has coordinates,has disorder","178893","2020-10-21","18:00:00",""
"4112271","11.3001","0.0013","15.9455","0.0019","21.99","0.003","90","","95.448","0.002","90","","3944.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H61 B F4 Os P2 -","- C42 H61 B F4 Os P2 -","- C168 H244 B4 F16 Os4 P8 -","4","1","","Pilar Barrio; Miguel A. Esteruelas; Enrique Oñate","Preparation and Characterization of an Isometallabenzene with the Structure of a 1,2,4-Cyclohexatriene","Journal of the American Chemical Society","2004","126","","1946","1947","10.1021/ja039633e","","","0.71073","MoKα","","0.1315","0.0607","","","0.0859","0.0995","","","","","","0.869","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112272","13.848","0.001","22.329","0.001","13.845","0.001","90","","112.676","0.002","90","","3950.1","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C64 H95 Na O16 -","- C64 H90 Na O16 -","- C128 H180 Na2 O32 -","2","1","","Eun Joo Kang; Eun Jin Cho; Young Eun Lee; Mi Kyung Ji; Dong Mok Shin; Young Keun Chung; Eun Lee","Total Synthesis of (+)-SCH 351448","Journal of the American Chemical Society","2004","126","","2680","2681","10.1021/ja0315309","","","0.71073","MoKα","","0.2039","0.1041","","","0.2452","0.2833","","","","","","0.838","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112273","11.306","0.003","10.404","0.003","39.541","0.01","90","","93.282","0.005","90","","4643","2","173","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52.5 H51 Cl Fe N4 O4 -","- C52.5 H50 Cl Fe N4 O4 -","- C210 H200 Cl4 Fe4 N16 O16 -","4","1","","Sungho Yoon; Stephen J. Lippard","Synthesis and Characterization of Carboxylate-Rich Complexes Having the {Fe2(μ-OH)2(μ-O2CR)}3+ and {Fe2(μ-O)(μ-O2CR)}3+ Cores of O2-Dependent Diiron Enzymes","Journal of the American Chemical Society","2004","126","","2666","2667","10.1021/ja031603o","","","0.71073","MoKα","","0.0734","0.0564","","","0.1324","0.1434","","","","","","1.117","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112274","15.385","0.009","28.695","0.017","21.194","0.012","90","","91.151","0.012","90","","9355","9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97.25 H94.5 Cl6.5 Fe2 N4 O11 -","- C97.25 H93 Cl6.5 Fe2 N4 O11 -","- C389 H372 Cl26 Fe8 N16 O44 -","4","1","","Sungho Yoon; Stephen J. Lippard","Synthesis and Characterization of Carboxylate-Rich Complexes Having the {Fe2(μ-OH)2(μ-O2CR)}3+ and {Fe2(μ-O)(μ-O2CR)}3+ Cores of O2-Dependent Diiron Enzymes","Journal of the American Chemical Society","2004","126","","2666","2667","10.1021/ja031603o","","","0.71073","MoKα","","0.1716","0.0928","","","0.2028","0.2454","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112275","11.0023","0.0016","13.702","0.002","15.552","0.002","68.884","0.002","88.421","0.002","77.728","0.002","2134","0.5","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 F4 Fe N4 O4 -","- C48 H38 F4 Fe N4 O4 -","- C96 H76 F8 Fe2 N8 O8 -","2","1","","Sungho Yoon; Stephen J. Lippard","Synthesis and Characterization of Carboxylate-Rich Complexes Having the {Fe2(μ-OH)2(μ-O2CR)}3+ and {Fe2(μ-O)(μ-O2CR)}3+ Cores of O2-Dependent Diiron Enzymes","Journal of the American Chemical Society","2004","126","","2666","2667","10.1021/ja031603o","","","0.71073","MoKα","","0.0431","0.0357","","","0.093","0.0972","","","","","","1.033","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112276","13.92","0.002","15.434","0.002","19.559","0.003","88.767","0.002","88.313","0.002","84.813","0.002","4182.3","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H70 Cl2 F8 Fe2 N6 O9 -","- C92 H66.5 Cl2 F8 Fe2 N6 O9 -","- C184 H133 Cl4 F16 Fe4 N12 O18 -","2","1","","Sungho Yoon; Stephen J. Lippard","Synthesis and Characterization of Carboxylate-Rich Complexes Having the {Fe2(μ-OH)2(μ-O2CR)}3+ and {Fe2(μ-O)(μ-O2CR)}3+ Cores of O2-Dependent Diiron Enzymes","Journal of the American Chemical Society","2004","126","","2666","2667","10.1021/ja031603o","","","0.71073","MoKα","","0.0781","0.0672","","","0.2057","0.2225","","","","","","0.973","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112277","13.096","0.0009","10.0714","0.0007","11.0398","0.0008","90","","102.604","0.001","90","","1421.01","0.17","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","cesium uranyl(VI) periodate","","","- Cs I O15.5 U3 -","- Cs I O15.5 U3 -","- Cs4 I4 O62 U12 -","4","1","","Tyler A. Sullens; Rebecca A. Jensen; Tatiana Y. Shvareva; Thomas E. Albrecht-Schmitt","Cation-Cation Interactions between Uranyl Cations in a Polar Open-Framework Uranyl Periodate","Journal of the American Chemical Society","2004","126","","2676","2677","10.1021/ja031695h","","","0.71073","MoKα","","0.0261","0.0239","","","0.0472","0.0478","","","","","","0.705","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112278","13.6002","0.0014","13.6002","0.0014","51.477","0.01","90","","90","","90","","9521","2","293","2","100","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C42 H49 Cl2 F12 O P2 Rh Sb2 -","- C42 H47 Cl2 F12 O P2 Rh Sb2 -","- C336 H376 Cl16 F96 O8 P16 Rh8 Sb16 -","8","1","","Daniel Carmona; M. Pilar Lamata; Fernando Viguri; Ricardo Rodríguez; Luis A. Oro; Ana I. Balana; Fernando J. Lahoz; Tomás Tejero; Pedro Merino; Santiago Franco; Isabel Montesa","The Complete Characterization of a Rhodium Lewis Acid-Dipolarophile Complex as an Intermediate for the Enantioselective Catalytic 1,3-Dipolar Cycloaddition of C,N-Diphenylnitrone to Methacrolein","Journal of the American Chemical Society","2004","126","","2716","2717","10.1021/ja031995z","","","0.71073","MoKα","","0.0528","0.0515","","","0.1152","0.1159","","","","","","1.335","","","","has coordinates,has disorder","178893","2020-10-21","18:00:00",""
"4112279","10.2263","0.0009","10.6226","0.0009","19.4884","0.0017","94.017","0.002","90.634","0.002","107.305","0.001","2015.1","0.3","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 Cu2 N2 S4 -","- C40 H52 Cu2 N2 S4 -","- C80 H104 Cu4 N4 S8 -","2","1","","Seth B. Harkins; Jonas C. Peters","Amido-Bridged Cu2N2 Diamond Cores that Minimize Structural Reorganization and Facilitate Reversible Redox Behavior between a Cu1Cu1 and a Class III Delocalized Cu1.5Cu1.5 Species","Journal of the American Chemical Society","2004","126","","2885","2893","10.1021/ja037364m","","","0.71073","MoKα","","0.0416","0.0303","","","0.066","0.0685","","","","","","1.464","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112280","10.3179","0.0008","19.3779","0.0014","19.9116","0.0015","74.234","0.001","83.222","0.001","85.603","0.001","3800.4","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H69 B Cu2 F24 N2 O0.5 S4 -","- C74 H69 B Cu2 F24 N2 O0.5 S4 -","- C148 H138 B2 Cu4 F48 N4 O S8 -","2","1","","Seth B. Harkins; Jonas C. Peters","Amido-Bridged Cu2N2 Diamond Cores that Minimize Structural Reorganization and Facilitate Reversible Redox Behavior between a Cu1Cu1 and a Class III Delocalized Cu1.5Cu1.5 Species","Journal of the American Chemical Society","2004","126","","2885","2893","10.1021/ja037364m","","","0.71073","MoKα","","0.0597","0.0393","","","0.081","0.085","","","","","","1.58","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112281","17.0807","0.0013","12.3173","0.001","19.5782","0.0015","90","","90","","90","","4119","0.6","96","2","96","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Cl Cu N S2 -","- C20 H26 Cl Cu N S2 -","- C160 H208 Cl8 Cu8 N8 S16 -","8","1","","Seth B. Harkins; Jonas C. Peters","Amido-Bridged Cu2N2 Diamond Cores that Minimize Structural Reorganization and Facilitate Reversible Redox Behavior between a Cu1Cu1 and a Class III Delocalized Cu1.5Cu1.5 Species","Journal of the American Chemical Society","2004","126","","2885","2893","10.1021/ja037364m","","","0.71073","MoKα","","0.0664","0.0381","","","0.0694","0.0753","","","","","","1.235","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112282","7.7325","0.001","15.6579","0.0013","35.803","0.002","90","","90","","90","","4334.8","0.7","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H33 Al N2 O2 -","- C23 H33 Al N2 O2 -","- C184 H264 Al8 N16 O16 -","8","1","","Pimpa Hormnirun; Edward L. Marshall; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Remarkable Stereocontrol in the Polymerization of Racemic Lactide Using Aluminum Initiators Supported by Tetradentate Aminophenoxide Ligands","Journal of the American Chemical Society","2004","126","","2688","2689","10.1021/ja038757o","","","1.54178","CuKα","","0.0572","0.0451","","","0.1141","0.1202","","","","","","1.021","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112283","14.8173","0.0014","14.8173","0.0014","14.8173","0.0014","90","","90","","90","","3253.2","0.5","293","2","293","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C24 H66 Ca6 K3 N25 O39 -","- C24.14 H48 Ca6 K3 N25 O39 -","- C48.28 H96 Ca12 K6 N50 O78 -","2","0.0208333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0555","0.0544","","","0.1734","0.1745","","","","","","1.176","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112284","14.7493","0.0004","14.7493","0.0004","14.7493","0.0004","90","","90","","90","","3208.59","0.15","293","2","293","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C24 H70 Cd6 N25 Na3 O41 -","- C21.02 H48 Cd6 N25 Na3 O40.98 -","- C42.04 H96 Cd12 N50 Na6 O81.96 -","2","0.0208333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0375","0.0372","","","0.1193","0.1196","","","","","","1.395","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112285","28.9057","0.0004","28.9057","0.0004","28.9057","0.0004","90","","90","","90","","24151.9","0.6","293","2","293","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H64 Co6 N25 Na3 O38 -","- C23.96 H48 Co6 N25 Na3 O37.98 -","- C383.36 H768 Co96 N400 Na48 O607.68 -","16","0.0833333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0355","0.0257","","","0.0922","0.1048","","","","","","1.144","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112286","29.0191","0.0007","29.0191","0.0007","29.0191","0.0007","90","","90","","90","","24437.2","1","293","2","293","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H64 Fe6 N25 Na3 O38 -","- C24.02 H48 Fe6 N25 Na3 O37.98 -","- C384.32 H768 Fe96 N400 Na48 O607.68 -","16","0.0833333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0647","0.0511","","","0.1763","0.1967","","","","","","1.133","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112287","14.5662","0.0008","14.5662","0.0008","14.5662","0.0008","90","","90","","90","","3090.6","0.3","293","2","293","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C24 H66 Mn6 N25 Na3 O39 -","- C24.14 H48 Mn6 N25 Na3 O39 -","- C48.28 H96 Mn12 N50 Na6 O78 -","2","0.0208333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.061","0.0562","","","0.164","0.1668","","","","","","1.159","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112288","28.778","0.0011","28.778","0.0011","28.778","0.0011","90","","90","","90","","23833.2","1.6","293","2","293","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H64 N25 Na3 Ni6 O38 -","- C24.02 H48 N25 Na3 Ni6 O37.98 -","- C384.32 H768 N400 Na48 Ni96 O607.68 -","16","0.0833333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0739","0.0644","","","0.157","0.1625","","","","","","1.352","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112289","28.9736","0.0012","28.9736","0.0012","28.9736","0.0012","90","","90","","90","","24322.5","1.7","293","2","566","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H64 N25 Na3 O38 Zn6 -","- C24.08 H48 N25 Na3 O37.98 Zn6 -","- C385.28 H768 N400 Na48 O607.68 Zn96 -","16","0.0833333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0683","0.0306","","","0.0919","0.1132","","","","","","1.013","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112290","12.384","0.005","21.871","0.009","16.751","0.007","90","","104.875","0.009","90","","4385","3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H70 N2 Si Sn -","- C46 H70 N2 Si Sn -","- C184 H280 N8 Si4 Sn4 -","4","1","","Wataru Setaka; Katsuyuki Hirai; Hideo Tomioka; Kenkichi Sakamoto; Mitsuo Kira","Stannaacetylene (RSn\τbCR') Showing Carbene-like Reaction Mode","Journal of the American Chemical Society","2004","126","","2696","2697","10.1021/ja0389974","","","0.71073","MoKα","","0.1252","0.0601","","","0.1119","0.1288","","","","","","0.879","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112291","16.407","0.004","21.904","0.005","24.092","0.005","90","","106.357","0.004","90","","8308","3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H70 Si Sn -","- C46 H70 Si Sn -","- C368 H560 Si8 Sn8 -","8","2","","Wataru Setaka; Katsuyuki Hirai; Hideo Tomioka; Kenkichi Sakamoto; Mitsuo Kira","Stannaacetylene (RSn\τbCR') Showing Carbene-like Reaction Mode","Journal of the American Chemical Society","2004","126","","2696","2697","10.1021/ja0389974","","","0.71073","MoKα","","0.0972","0.0596","","","0.1454","0.1676","","","","","","1.033","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112292","32.965","0.003","8.034","","16.39","0.002","90","","90.701","0.003","90","","4340.4","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 O5 S2 -","- C23 H24 O5 S2 -","- C184 H192 O40 S16 -","8","1","","Sang Ick Lee; Ji Hoon Park; Young Keun Chung; Sueg-Geun Lee","Rhodium-Catalyzed Carbonylative [3+2+1] Cycloaddition Reaction: Catalytic Formation of Bicyclic Cyclohexenones from Trienes and Carbon Monoxide","Journal of the American Chemical Society","2004","126","","2714","2715","10.1021/ja039301+","","","0.71073","MoKα","","0.1493","0.1244","","","0.3467","0.3639","","","","","","1.139","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112293","6.693","0.002","7.705","0.001","8.731","0.002","103.18","0.02","111.12","0.02","90.38","0.02","406.99","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 I4 Ir2 O4 -","- C6 H6 I4 Ir2 O4 -","- C6 H6 I4 Ir2 O4 -","1","0.5","","Anthony Haynes; Peter M. Maitlis; George E. Morris; Glenn J. Sunley; Harry Adams; Peter W. Badger; Craig M. Bowers; David B. Cook; Paul I. P. Elliott; Talit Ghaffar; Helena Green; Tim R. Griffin; Marc Payne; Jean M. Pearson; Michael J. Taylor; Paul W. Vickers; Rob J. Watt","Promotion of Iridium-Catalyzed Methanol Carbonylation: Mechanistic Studies of the Cativa Process","Journal of the American Chemical Society","2004","126","","2847","2861","10.1021/ja039464y","","","0.71073","MoKα","","0.0567","0.0548","","0.1585","0.1557","","","","1.083","1.094","1.094","","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112294","12.351","0.003","16.5","0.004","15.971","0.004","90","","110.277","0.004","90","","3053.1","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 As I3 Ir O3 -","- C28 H23 As I3 Ir O3 -","- C112 H92 As4 I12 Ir4 O12 -","4","1","","Anthony Haynes; Peter M. Maitlis; George E. Morris; Glenn J. Sunley; Harry Adams; Peter W. Badger; Craig M. Bowers; David B. Cook; Paul I. P. Elliott; Talit Ghaffar; Helena Green; Tim R. Griffin; Marc Payne; Jean M. Pearson; Michael J. Taylor; Paul W. Vickers; Rob J. Watt","Promotion of Iridium-Catalyzed Methanol Carbonylation: Mechanistic Studies of the Cativa Process","Journal of the American Chemical Society","2004","126","","2847","2861","10.1021/ja039464y","","","0.71073","MoKα","","0.0434","0.0325","","","0.077","0.0809","","","","","","1.007","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112295","10.385","0.0008","10.6155","0.0009","14.4068","0.0012","81.854","0.001","85.35","0.001","73.086","0.002","1502.9","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","L(delta)Zn(NCCH3).CH2Cl2","","","- C31 H37 Cl2 N5 Zn -","- C31 H37 Cl2 N5 Zn -","- C62 H74 Cl4 N10 Zn2 -","2","1","","Julien Bachmann; Daniel G. Nocera","Multielectron Chemistry of Zinc Porphyrinogen: A Ligand-Based Platform for Two-Electron Mixed Valency","Journal of the American Chemical Society","2004","126","","2829","2837","10.1021/ja039617h","","","0.71073","MoKα","","0.0861","0.0609","","","0.114","0.1227","","","","","","1.071","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112296","12.618","0.007","7.536","0.004","11.418","0.006","90","","97.446","0.009","90","","1076.6","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N4 Se2 -","- C8 H10 N4 Se2 -","- C32 H40 N16 Se8 -","4","0.5","","Gouriprasanna Roy; Munirathinam Nethaji; G. Mugesh","Biomimetic Studies on Anti-Thyroid Drugs and Thyroid Hormone Synthesis","Journal of the American Chemical Society","2004","126","","2712","2713","10.1021/ja039860g","","","0.71073","MoKα","","0.0387","0.0349","","","0.0995","0.1021","","","","","","0.98","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112297","9.486","0.006","9.965","0.006","10.953","0.006","91.403","0.009","111.942","0.008","118.051","0.008","821.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N2 O3 Se -","- C16 H20 N2 O3 Se -","- C32 H40 N4 O6 Se2 -","2","1","","Gouriprasanna Roy; Munirathinam Nethaji; G. Mugesh","Biomimetic Studies on Anti-Thyroid Drugs and Thyroid Hormone Synthesis","Journal of the American Chemical Society","2004","126","","2712","2713","10.1021/ja039860g","","","0.71073","MoKα","","0.0297","0.0264","","","0.0674","0.0693","","","","","","1.042","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112298","18.9647","0.0001","11.3278","0.0001","21.7733","0.0002","90","","90","","90","","4677.52","0.06","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H21 O5 P W -","- C25 H21 O5 P W -","- C200 H168 O40 P8 W8 -","8","2","","J. Chris Slootweg; Marius Schakel; Frans J. J. de Kanter; Andreas W. Ehlers; Sergei I. Kozhushkov; Armin de Meijere; Martin Lutz; Anthony L. Spek; Koop Lammertsma","Branched Phospha[7]triangulanes","Journal of the American Chemical Society","2004","126","","3050","3051","10.1021/ja031648p","","","0.71073","MoKα","","0.045","0.0285","","","0.0378","0.0405","","","","","","0.975","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112299","7.8462","0.0001","12.9734","0.0002","8.7058","0.0001","90","","115.697","0.0006","90","","798.538","0.019","150","2","150","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C20 H21 P -","- C20 H21 P -","- C40 H42 P2 -","2","0.5","","J. Chris Slootweg; Marius Schakel; Frans J. J. de Kanter; Andreas W. Ehlers; Sergei I. Kozhushkov; Armin de Meijere; Martin Lutz; Anthony L. Spek; Koop Lammertsma","Branched Phospha[7]triangulanes","Journal of the American Chemical Society","2004","126","","3050","3051","10.1021/ja031648p","","","0.71073","MoKα","","0.0354","0.0307","","","0.0784","0.0812","","","","","","1.047","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112300","19.13","0.005","19.13","0.005","11.379","0.004","90","","90","","90","","4164","2","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","dinickel aspartato-diaqua-oxide tetrahydrate","","- C4 H13 N Ni2 O9 -","- C4 N Ni2 O9 -","- C64 N16 Ni32 O144 -","16","1","","Ekaterina V. Anokhina; Allan J. Jacobson","[Ni2O(l-Asp)(H2O)2].4H2O: A Homochiral 1D Helical Chain Hybrid Compound with Extended Ni-O-Ni Bonding","Journal of the American Chemical Society","2004","126","","3044","3045","10.1021/ja031836f","","","0.71073","MoKα","","0.1502","0.0602","","","0.1255","0.1441","","","","","","0.896","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112301","23.14","0.003","15.364","0.002","24.814","0.003","90","","90","","90","","8821.9","1.9","296.1","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C90 H16 Cu2 F40 N8 O4 -","- C92 H16 Cu2 F40 N8 O8 -","- C368 H64 Cu8 F160 N32 O32 -","4","0.5","","Yasuo Tanaka; Wataru Hoshino; Soji Shimizu; Katsuyuki Youfu; Naoki Aratani; Norihiko Maruyama; Shizuo Fujita; Atsuhiro Osuka","Thermal Splitting of Bis-Cu(II) Octaphyrin(1.1.1.1.1.1.1.1) into Two Cu(II) Porphyrins","Journal of the American Chemical Society","2004","126","","3046","3047","10.1021/ja031935t","","","0.7107","MoKα","","","0.077","","","","0.096","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112302","20.2403","0.0009","20.2403","0.0009","24.0482","0.0016","90","","90","","120","","8531.9","0.8","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C44 H8 Cu F20 N4 -","- C44 H8 Cu F20 N4 -","- C396 H72 Cu9 F180 N36 -","9","0.5","","Yasuo Tanaka; Wataru Hoshino; Soji Shimizu; Katsuyuki Youfu; Naoki Aratani; Norihiko Maruyama; Shizuo Fujita; Atsuhiro Osuka","Thermal Splitting of Bis-Cu(II) Octaphyrin(1.1.1.1.1.1.1.1) into Two Cu(II) Porphyrins","Journal of the American Chemical Society","2004","126","","3046","3047","10.1021/ja031935t","","","0.71073","MoKα","","0.0502","0.0469","","","0.1178","0.1203","","","","","","1.102","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112303","10.0038","0.0006","30.3064","0.0019","12.6144","0.0008","90","","109.696","0.001","90","","3600.7","0.4","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Si4 -","- C36 H44 Si4 -","- C144 H176 Si16 -","4","1","","Patrick M. Donovan; Lawrence T. Scott","Elaboration of Diaryl Ketones into Naphthalenes Fused on Two or Four Sides: A Naphthoannulation Procedure","Journal of the American Chemical Society","2004","126","","3108","3112","10.1021/ja038254i","","","0.71073","MoKα","","0.0934","0.0618","","","0.169","0.1855","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112304","16.087","0.002","4.6626","0.0007","15.988","0.002","90","","108.26","0.003","90","","1138.8","0.3","193","2","193","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C18 H10 O -","- C18 H10 O -","- C72 H40 O4 -","4","2","","Patrick M. Donovan; Lawrence T. Scott","Elaboration of Diaryl Ketones into Naphthalenes Fused on Two or Four Sides: A Naphthoannulation Procedure","Journal of the American Chemical Society","2004","126","","3108","3112","10.1021/ja038254i","","","0.71073","MoKα","","0.0951","0.0513","","","0.1172","0.1363","","","","","","0.889","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112305","8.2248","0.0012","9.9887","0.0015","13.0969","0.0018","77.512","0.004","81.672","0.004","67.844","0.004","970.6","0.2","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","","","- C26 H28 -","- C26 H28 -","- C52 H56 -","2","1","","Patrick M. Donovan; Lawrence T. Scott","Elaboration of Diaryl Ketones into Naphthalenes Fused on Two or Four Sides: A Naphthoannulation Procedure","Journal of the American Chemical Society","2004","126","","3108","3112","10.1021/ja038254i","","","0.71073","MoKα","","0.1143","0.0558","","","0.0956","0.1117","","","","","","0.844","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112306","4.6014","0.0004","15.5555","0.0013","16.5551","0.0013","90","","90","","90","","1184.97","0.17","273","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 S -","- C18 H10 S -","- C72 H40 S4 -","4","1","","Patrick M. Donovan; Lawrence T. Scott","Elaboration of Diaryl Ketones into Naphthalenes Fused on Two or Four Sides: A Naphthoannulation Procedure","Journal of the American Chemical Society","2004","126","","3108","3112","10.1021/ja038254i","","","0.71073","MoKα","","0.0468","0.0417","","","0.0932","0.0958","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112307","9.304","0.004","12.17","0.004","16.243","0.006","104.048","0.006","90.555","0.005","107.49","0.005","1694.9","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H33 Mn1.5 N3 O24 Yb -","- C21 H9 Mn1.5 N3 O24 Yb -","- C42 H18 Mn3 N6 O48 Yb2 -","2","1","","Bin Zhao; Peng Cheng; Xiaoyan Chen; Cai Cheng; Wei Shi; Daizheng Liao; Shiping Yan; Zonghui Jiang","Design and Synthesis of 3d-4f Metal-Based Zeolite-type Materials with a 3D Nanotubular Structure Encapsulated ""Water"" Pipe","Journal of the American Chemical Society","2004","126","","3012","3013","10.1021/ja038784e","","","0.71073","MoKα","","0.0444","0.0359","","","0.084","0.0866","","","","","","1.131","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112308","15.44","0.005","15.44","0.005","16.254","0.012","90","","90","","120","","3356","3","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C21 H18 Mn1.5 N3 O16.5 Yb -","- C21 H15 Mn1.5 N3 O16.5 Yb -","- C84 H60 Mn6 N12 O66 Yb4 -","4","0.166667","","Bin Zhao; Peng Cheng; Xiaoyan Chen; Cai Cheng; Wei Shi; Daizheng Liao; Shiping Yan; Zonghui Jiang","Design and Synthesis of 3d-4f Metal-Based Zeolite-type Materials with a 3D Nanotubular Structure Encapsulated ""Water"" Pipe","Journal of the American Chemical Society","2004","126","","3012","3013","10.1021/ja038784e","","","0.71073","MoKα","","0.1019","0.0503","","","0.1","0.1188","","","","","","1.093","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112309","8.946","0.004","10","0.004","16.443","0.007","90","","90","","90","","1471","1.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DJM2471m","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","","Norihiro Ikemoto; David M. Tellers; Spencer D. Dreher; Jinchu Liu; Angie Huang; Nelo R. Rivera; Eugenia Njolito; Yi Hsiao; J. Christopher McWilliams; J. Michael Williams; Joseph D. Armstrong; Yongkui Sun; David J. Mathre; Edward J. J. Grabowski; Richard D. Tillyer","Highly Diastereoselective Heterogeneously Catalyzed Hydrogenation of Enamines for the Synthesis of Chiral β-Amino Acid Derivatives","Journal of the American Chemical Society","2004","126","","3048","3049","10.1021/ja038812t","","","0.71073","MoKα","","0.0415","0.0393","","","0.1044","0.1061","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112310","8.007","0.0012","10.4126","0.0016","22.468","0.003","90","","90","","90","","1873.2","0.5","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","djm2831m","","","- C18 H21 Cl N2 O3 -","- C18 H21 Cl N2 O3 -","- C72 H84 Cl4 N8 O12 -","4","1","","Norihiro Ikemoto; David M. Tellers; Spencer D. Dreher; Jinchu Liu; Angie Huang; Nelo R. Rivera; Eugenia Njolito; Yi Hsiao; J. Christopher McWilliams; J. Michael Williams; Joseph D. Armstrong; Yongkui Sun; David J. Mathre; Edward J. J. Grabowski; Richard D. Tillyer","Highly Diastereoselective Heterogeneously Catalyzed Hydrogenation of Enamines for the Synthesis of Chiral β-Amino Acid Derivatives","Journal of the American Chemical Society","2004","126","","3048","3049","10.1021/ja038812t","","","0.71073","MoKα","","0.0454","0.0371","","","0.0789","0.0815","","","","","","0.934","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112311","12.4683","0.0007","29.6664","0.0015","12.408","0.0005","90","","90","","90","","4589.6","0.4","297","2","297","2","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","","","- C12 H29 Cl2 N7 O10 Zn -","- C12 H29 Cl2 N7 O10.43 Zn -","- C96 H232 Cl16 N56 O83.44 Zn8 -","8","1","","Michael Subat; Andrew S. Borovik; Burkhard König","Synthetic Creatinine Receptor: Imprinting of a Lewis Acidic Zinc(II)cyclen Binding Site to Shape Its Molecular Recognition Selectivity","Journal of the American Chemical Society","2004","126","","3185","3190","10.1021/ja038980l","","","0.71073","MoKα","","0.0555","0.0469","","","0.1322","0.1386","","","","","","1.063","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112312","7.68","0.005","8.211","0.005","9.594","0.005","96.716","0.005","113.151","0.005","107.298","0.005","511.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,5:4',5'-Bis(bicyclo[2.2.2]octeno)-2,2'-bithiophene radical cation hexafluoroantimonate","","- C20 H22 F6 S2 Sb -","- C20 H22 F6 S2 Sb -","- C20 H22 F6 S2 Sb -","1","0.5","","Tohru Nishinaga; Atsushi Wakamiya; Daisuke Yamazaki; Koichi Komatsu","Crystal Structures and Spectroscopic Characterization of Radical Cations and Dications of Oligothiophenes Stabilized by Annelation with Bicyclo[2.2.2]octene Units: Sterically Segregated Cationic Oligothiophenes","Journal of the American Chemical Society","2004","126","","3163","3174","10.1021/ja039434v","","","0.71069","MoKα","","0.0375","0.0345","","","0.081","0.0822","","","","","","1.021","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112313","9.653","0.005","12.687","0.005","13.237","0.005","94.644","0.005","100.024","0.005","98.039","0.005","1571.4","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4,5:4'',5''-Bis(bicyclo[2.2.2]octeno)- 3',4'-bicyclo[2.2.2]octano-2,2':5',2''- terthiophene radical cation hexafluoroantimonate","","- C31 H34 Cl2 F6 S3 Sb -","- C31 H34 Cl2 F6 S3 Sb -","- C62 H68 Cl4 F12 S6 Sb2 -","2","1","","Tohru Nishinaga; Atsushi Wakamiya; Daisuke Yamazaki; Koichi Komatsu","Crystal Structures and Spectroscopic Characterization of Radical Cations and Dications of Oligothiophenes Stabilized by Annelation with Bicyclo[2.2.2]octene Units: Sterically Segregated Cationic Oligothiophenes","Journal of the American Chemical Society","2004","126","","3163","3174","10.1021/ja039434v","","","0.71069","MoKα","","0.0673","0.0605","","","0.1815","0.1856","","","","","","1.088","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112314","7.918","0.005","9.912","0.005","13.964","0.005","109.542","0.005","100.177","0.005","97.274","0.005","996","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,5:4''',5'''-Bis(bicyclo[2.2.2]octeno)- 3',4':3'',4''-bis(bicyclo[2.2.2]octano)- 2,2':5',2'',5'',2'''-quarterthiophene dication bis(hexafluoroantimonate)","","- C40 H42 F12 S4 Sb2 -","- C40 H42 F12 S4 Sb2 -","- C40 H42 F12 S4 Sb2 -","1","0.5","","Tohru Nishinaga; Atsushi Wakamiya; Daisuke Yamazaki; Koichi Komatsu","Crystal Structures and Spectroscopic Characterization of Radical Cations and Dications of Oligothiophenes Stabilized by Annelation with Bicyclo[2.2.2]octene Units: Sterically Segregated Cationic Oligothiophenes","Journal of the American Chemical Society","2004","126","","3163","3174","10.1021/ja039434v","","","0.71069","MoKα","","0.0834","0.0509","","","0.081","0.0872","","","","","","1","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112315","11.197","0.005","16.574","0.005","16.88","0.005","79.113","0.005","82.739","0.005","77.222","0.005","2988.3","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4,5:4''''',5'''''-Bis(bicyclo[2.2.2]octeno)- 3',4':3'',4'':3''',4''':3'''',4''''-tetraxis (bicyclo[2.2.2]octeno)- 2,2':5',2'':5'',2''':5''',2'''':5'''',2''''- sexithiophene dication bis(hexafluoroantimonate)","","- C61 H64 Cl2 F12 S6 Sb2 -","- C61 H64 Cl2 F12 S6 Sb2 -","- C122 H128 Cl4 F24 S12 Sb4 -","2","1","","Tohru Nishinaga; Atsushi Wakamiya; Daisuke Yamazaki; Koichi Komatsu","Crystal Structures and Spectroscopic Characterization of Radical Cations and Dications of Oligothiophenes Stabilized by Annelation with Bicyclo[2.2.2]octene Units: Sterically Segregated Cationic Oligothiophenes","Journal of the American Chemical Society","2004","126","","3163","3174","10.1021/ja039434v","","","0.71069","MoKα","","0.1598","0.0644","","","0.0993","0.1226","","","","","","0.878","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112316","15.6475","0.0005","15.6475","0.0005","15.6475","0.0005","90","","90","","90","","3831.2","0.2","298","2","298","2","","","","","","","","6","P n -3 m :2","-P 4bc 2bc 3","224","[Cu(2-pymo)2]n.[Li(H2O)4]n/3(NO3)n/3","","","- C24 H26 Cu3 Li N13 O13 -","- C24 Cu3 Li N13 O12.98 -","- C96 Cu12 Li4 N52 O51.92 -","4","0.0833333","","Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Mineralomimetic Sodalite- and Muscovite-Type Coordination Frameworks. Dynamic Crystal-to-Crystal Interconversion Processes Sensitive to Ion Pair Recognition","Journal of the American Chemical Society","2004","126","","3014","3015","10.1021/ja039472e","","","0.71073","MoKα","","0.0792","0.0631","","","0.181","0.1939","","","","","","1.117","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112317","15.6702","0.0005","15.6702","0.0005","15.6702","0.0005","90","","90","","90","","3847.9","0.2","298","2","298","2","","","","","","","SYNTHETIC","5","P n -3 m :2","-P 4bc 2bc 3","224","[Cu(2-pymo)2]n.(NH4NO3.2H2O)n/3","","","- C24 H24.5 Cu3 N14 O12.25 -","- C24 Cu3 N14.02 O12.29 -","- C96 Cu12 N56.08 O49.16 -","4","0.0833333","","Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Mineralomimetic Sodalite- and Muscovite-Type Coordination Frameworks. Dynamic Crystal-to-Crystal Interconversion Processes Sensitive to Ion Pair Recognition","Journal of the American Chemical Society","2004","126","","3014","3015","10.1021/ja039472e","","","0.71073","MoKα","","0.2206","0.0809","","","0.2247","0.3154","","","","","","0.967","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112318","18.7829","0.0019","11.0197","0.0011","11.4504","0.0011","90","","90","","90","","2370","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","[(Cu(2-pymo)2)2RbNO3(H2O)]n.nMeOH","","","- C17 H20 Cu2 N9 O10 Rb -","- C17 Cu2 N9 O9 Rb -","- C68 Cu8 N36 O36 Rb4 -","4","1","","Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Mineralomimetic Sodalite- and Muscovite-Type Coordination Frameworks. Dynamic Crystal-to-Crystal Interconversion Processes Sensitive to Ion Pair Recognition","Journal of the American Chemical Society","2004","126","","3014","3015","10.1021/ja039472e","","","0.71073","MoKα","","0.0813","0.0625","","","0.1778","0.1935","","","","","","1.077","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112319","23.04","0.0015","23.04","0.0015","25.1398","0.0018","90","","90","","120","","11557.3","1.3","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","Hydrated Cu(2-pymo)2","- C8 H8 Cu N4 O3 -","- C7.25 H5.75 Cu N4 O2.5 -","- C261 H207 Cu36 N144 O90 -","36","1","","Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Mineralomimetic Sodalite- and Muscovite-Type Coordination Frameworks. Dynamic Crystal-to-Crystal Interconversion Processes Sensitive to Ion Pair Recognition","Journal of the American Chemical Society","2004","126","","3014","3015","10.1021/ja039472e","","","1.5418","CuKα","","0.043","","","","","0.057","","","","","","","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112320","9.7529","0.0005","14.7661","0.0007","18.531","0.0009","90","","90.432","0.001","90","","2668.6","0.2","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 B5 Cl5 Re2 -","- C20 H30 B5 Cl5 Re2 -","- C80 H120 B20 Cl20 Re8 -","4","1","","Boris Le Guennic; Haijun Jiao; Samia Kahlal; Jean-Yves Saillard; Jean-François Halet; Sundargopal Ghosh; Maoyu Shang; Alicia M. Beatty; Arnold L. Rheingold; Thomas P. Fehlner","Synthesis and Characterization of Hypoelectronic Rhenaboranes. Analysis of the Geometric and Electronic Structures of Species Following Neither Borane nor Metal Cluster Electron-Counting Paradigms","Journal of the American Chemical Society","2004","126","","3203","3217","10.1021/ja039770b","","","0.71073","MoKα","","0.0365","0.0318","","","0.083","0.0902","","","","","","1.095","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112321","9.3182","0.0005","11.6312","0.0007","23.1331","0.0013","90","","93.082","0.001","90","","2503.6","0.2","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 B7 Cl Re2 -","- C20 H35 B7 Cl Re2 -","- C80 H140 B28 Cl4 Re8 -","4","1","","Boris Le Guennic; Haijun Jiao; Samia Kahlal; Jean-Yves Saillard; Jean-François Halet; Sundargopal Ghosh; Maoyu Shang; Alicia M. Beatty; Arnold L. Rheingold; Thomas P. Fehlner","Synthesis and Characterization of Hypoelectronic Rhenaboranes. Analysis of the Geometric and Electronic Structures of Species Following Neither Borane nor Metal Cluster Electron-Counting Paradigms","Journal of the American Chemical Society","2004","126","","3203","3217","10.1021/ja039770b","","","0.71073","MoKα","","0.043","0.0347","","","0.0884","0.0972","","","","","","1.064","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112322","12.271","0.004","22.171","0.006","16.232","0.005","90","","108.449","0.005","90","","4189","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H45 F P3 Rh -","- C54 H45 F P3 Rh -","- C216 H180 F4 P12 Rh4 -","4","1","","Vladimir V. Grushin; William J. Marshall","The Fluoro Analogue of Wilkinson's Catalyst and Unexpected Ph-Cl Activation","Journal of the American Chemical Society","2004","126","","3068","3069","10.1021/ja049844z","","","0.71073","MoKα","","0.1618","0.0821","","","0.1905","0.2162","","","","","","0.829","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112323","21.483","0.003","18.103","0.002","17.662","0.002","90","","91.646","0.002","90","","6866","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 F2 P4 Rh2 -","- C78 H66 F2 P4 Rh2 -","- C312 H264 F8 P16 Rh8 -","4","0.5","","Vladimir V. Grushin; William J. Marshall","The Fluoro Analogue of Wilkinson's Catalyst and Unexpected Ph-Cl Activation","Journal of the American Chemical Society","2004","126","","3068","3069","10.1021/ja049844z","","","0.71069","MoKα","","0.0778","0.0642","","","0.1816","0.191","","","","","","1.084","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112324","12.3701","0.0012","20.38","0.002","15.7908","0.0016","90","","94.235","0.002","90","","3970","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cl F P3 Rh -","- C48 H40 Cl F P3 Rh -","- C192 H160 Cl4 F4 P12 Rh4 -","4","1","","Vladimir V. Grushin; William J. Marshall","The Fluoro Analogue of Wilkinson's Catalyst and Unexpected Ph-Cl Activation","Journal of the American Chemical Society","2004","126","","3068","3069","10.1021/ja049844z","","","0.71069","MoKα","","0.0999","0.0466","","","0.0942","0.1151","","","","","","1.005","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112325","12.6873","0.0012","14.2048","0.0014","19.9056","0.0019","90","","93.165","0.002","90","","3581.9","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H35 Br2 P2 Rh -","- C42 H35 Br2 P2 Rh -","- C168 H140 Br8 P8 Rh4 -","4","0.5","","Vladimir V. Grushin; William J. Marshall","The Fluoro Analogue of Wilkinson's Catalyst and Unexpected Ph-Cl Activation","Journal of the American Chemical Society","2004","126","","3068","3069","10.1021/ja049844z","","","0.71073","MoKα","","0.0287","0.0222","","","0.0537","0.0567","","","","","","1.03","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112326","38.807","0.004","14.6424","0.0014","23.566","0.002","90","","124.242","0.002","90","","11069.8","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H52.5 I3 P3 Rh1.5 -","- C63 H52.5 I3 P3 Rh1.5 -","- C504 H420 I24 P24 Rh12 -","8","1","","Vladimir V. Grushin; William J. Marshall","The Fluoro Analogue of Wilkinson's Catalyst and Unexpected Ph-Cl Activation","Journal of the American Chemical Society","2004","126","","3068","3069","10.1021/ja049844z","","","0.71073","MoKα","","0.0395","0.0277","","","0.0647","0.0705","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112327","20.5414","0.0009","21.3611","0.0009","18.455","0.0008","90","","90","","90","","8097.8","0.6","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C29 H34 O14.5 P Pt Ru5 -","- C29 H34 O14.5 P Pt Ru5 -","- C232 H272 O116 P8 Pt8 Ru40 -","8","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Platinum Participation in the Hydrogenation of Phenylacetylene by Ru~5~(CO)~15~(C)[Pt(PBut~3~)]","Journal of the American Chemical Society","2004","126","10","3042","3043","10.1021/ja049955y","","","0.71073","MoKα","","0.0339","0.0241","","","0.0556","0.0611","","","","","","1.067","","","","has coordinates","180567","2020-10-21","18:00:00",""
"4112328","12.3991","0.0009","12.6807","0.001","16.5292","0.0012","105.157","0.002","104.028","0.002","94.753","0.002","2403.8","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H47 O12 P Pt Ru5 -","- C40 H47 O12 P Pt Ru5 -","- C80 H94 O24 P2 Pt2 Ru10 -","2","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Platinum Participation in the Hydrogenation of Phenylacetylene by Ru~5~(CO)~15~(C)[Pt(PBut~3~)]","Journal of the American Chemical Society","2004","126","10","3042","3043","10.1021/ja049955y","","","0.71073","MoKα","","0.0431","0.0335","","","0.0741","0.0786","","","","","","1.017","","","","has coordinates","180567","2020-10-21","18:00:00",""
"4112329","13.9323","0.0012","14.6573","0.0012","12.1926","0.0011","90","","90","","90","","2489.8","0.4","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","dinickel aspartato-diaqua-oxide tetrahydrate","","- C4 H17 N Ni2 O11 -","- C4 N Ni2 O10 -","- C32 N8 Ni16 O80 -","8","2","","Ekaterina V. Anokhina; Allan J. Jacobson","[Ni2O(l-Asp)(H2O)2].4H2O: A Homochiral 1D Helical Chain Hybrid Compound with Extended Ni-O-Ni Bonding","Journal of the American Chemical Society","2004","126","","3044","3045","10.1021/ja031836f","powder diffraction","","1.5405","Kα~1~","","","","","","","","0.2784","","3.29","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4112330","12.81","0.002","15.785","0.003","21.78","0.004","96.15","0.005","90.847","0.006","112.399","0.003","4040.9","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C101 H82 Fe2 N O8 P -","- C101 H82 Fe2 N O8 P -","- C202 H164 Fe4 N2 O16 P2 -","2","1","","Emily C. Carson; Stephen J. Lippard","Oxidation of Sulfide, Phosphine, and Benzyl Substrates Tethered to N-Donor Pyridine Ligands in Carboxylate-Bridged Diiron(II) Complexes","Journal of the American Chemical Society","2004","126","","3412","3413","10.1021/ja031806c","","","0.71073","MoKα","","0.0605","0.0471","","","0.1155","0.1193","","","","","","0.943","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112331","22.322","0.005","17.485","0.004","25.357","0.005","90","","105.275","0.004","90","","9547","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Fe2(m-O2CArTol)4(4-Ph2Ppy)2]","","","- C119 H98 Cl2 Fe2 N2 O8 P2 -","- C119 H96 Cl2 Fe2 N2 O8 P2 -","- C476 H384 Cl8 Fe8 N8 O32 P8 -","4","0.5","","Emily C. Carson; Stephen J. Lippard","Oxidation of Sulfide, Phosphine, and Benzyl Substrates Tethered to N-Donor Pyridine Ligands in Carboxylate-Bridged Diiron(II) Complexes","Journal of the American Chemical Society","2004","126","","3412","3413","10.1021/ja031806c","","","0.71073","MoKα","","0.1047","0.0815","","","0.1744","0.1853","","","","","","1.203","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112332","13.1023","0.0015","16.1989","0.0018","16.5295","0.0018","108.52","0.002","101.298","0.002","113.08","0.002","2846.4","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H116 Fe2 N2 O10 P2 -","- C130 H123 Fe2 N2 O11 P2 -","- C130 H123 Fe2 N2 O11 P2 -","1","0.5","","Emily C. Carson; Stephen J. Lippard","Oxidation of Sulfide, Phosphine, and Benzyl Substrates Tethered to N-Donor Pyridine Ligands in Carboxylate-Bridged Diiron(II) Complexes","Journal of the American Chemical Society","2004","126","","3412","3413","10.1021/ja031806c","","","0.71073","MoKα","","0.0932","0.0575","","","0.1474","0.1606","","","","","","0.924","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112333","12.595","0.004","15.545","0.005","21.915","0.006","95.539","0.005","90.483","0.005","113.723","0.004","3905","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H79 Cl Fe2 N O8 S -","- C96 H79 Cl Fe2 N O8 S -","- C192 H158 Cl2 Fe4 N2 O16 S2 -","2","1","","Emily C. Carson; Stephen J. Lippard","Oxidation of Sulfide, Phosphine, and Benzyl Substrates Tethered to N-Donor Pyridine Ligands in Carboxylate-Bridged Diiron(II) Complexes","Journal of the American Chemical Society","2004","126","","3412","3413","10.1021/ja031806c","","","0.71073","MoKα","","0.0666","0.0454","","","0.095","0.1023","","","","","","0.956","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112334","11.8024","0.0011","14.7291","0.0013","25.142","0.002","94.819","0.002","97.452","0.002","91.443","0.002","4315.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C109 H92 Cl2 Fe2 N2 O8 -","- C109 H90 Cl2 Fe2 N2 O8 -","- C218 H180 Cl4 Fe4 N4 O16 -","2","1","","Emily C. Carson; Stephen J. Lippard","Oxidation of Sulfide, Phosphine, and Benzyl Substrates Tethered to N-Donor Pyridine Ligands in Carboxylate-Bridged Diiron(II) Complexes","Journal of the American Chemical Society","2004","126","","3412","3413","10.1021/ja031806c","","","0.71073","MoKα","","0.0961","0.0574","","","0.1096","0.1289","","","","","","0.941","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112335","8.4392","0.0005","10.3744","0.0006","14.1944","0.0008","100.365","0.001","104.927","0.001","109.695","0.001","1080.87","0.11","193","2","193","2","","","","","","","","5","P -1","-P 1","2","Ni(dippe)(trans-crotonitrile)","","","- C18 H37 N Ni P2 -","- C18 H37 N Ni P2 -","- C36 H74 N2 Ni2 P4 -","2","1","","Nicole M. Brunkan; Donna M. Brestensky; William D. Jones","Kinetics, Thermodynamics, and Effect of BPh3 on Competitive C-C and C-H Bond Activation Reactions in the Interconversion of Allyl Cyanide by [Ni(dippe)]","Journal of the American Chemical Society","2004","126","","3627","3641","10.1021/ja037002e","","","0.71073","MoKα","","0.0455","0.0435","","","0.1046","0.1056","","","","","","1.246","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112336","14.7082","0.0009","14.3447","0.0009","17.1722","0.0011","90","","104.878","0.001","90","","3501.6","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ni(dippe)(allyl)(CNBPh3)","","","- C36 H52 B N Ni P2 -","- C36 H52 B N Ni P2 -","- C144 H208 B4 N4 Ni4 P8 -","4","1","","Nicole M. Brunkan; Donna M. Brestensky; William D. Jones","Kinetics, Thermodynamics, and Effect of BPh3 on Competitive C-C and C-H Bond Activation Reactions in the Interconversion of Allyl Cyanide by [Ni(dippe)]","Journal of the American Chemical Society","2004","126","","3627","3641","10.1021/ja037002e","","","0.71073","MoKα","","0.0428","0.031","","","0.0803","0.0838","","","","","","1.066","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112337","10.954","0.001","20.4329","0.0019","21.847","0.002","90","","90.736","0.002","90","","4889.4","0.8","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ni(dippe)(allyl)][Ph3BCNBPh3]","","","- C54 H67 B2 N Ni P2 -","- C54 H67 B2 N Ni P2 -","- C216 H268 B8 N4 Ni4 P8 -","4","1","","Nicole M. Brunkan; Donna M. Brestensky; William D. Jones","Kinetics, Thermodynamics, and Effect of BPh3 on Competitive C-C and C-H Bond Activation Reactions in the Interconversion of Allyl Cyanide by [Ni(dippe)]","Journal of the American Chemical Society","2004","126","","3627","3641","10.1021/ja037002e","","","0.71073","MoKα","","0.0885","0.0485","","","0.1135","0.126","","","","","","0.956","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112338","11.334","0.0012","13.3012","0.0014","24.412","0.003","90","","102.045","0.002","90","","3599.2","0.7","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ni(dippe)(cis-crotonitrile-BPh3)","","","- C36 H52 B N Ni P2 -","- C36 H52 B N Ni P2 -","- C144 H208 B4 N4 Ni4 P8 -","4","1","","Nicole M. Brunkan; Donna M. Brestensky; William D. Jones","Kinetics, Thermodynamics, and Effect of BPh3 on Competitive C-C and C-H Bond Activation Reactions in the Interconversion of Allyl Cyanide by [Ni(dippe)]","Journal of the American Chemical Society","2004","126","","3627","3641","10.1021/ja037002e","","","0.71073","MoKα","","0.12","0.0683","","","0.1582","0.1776","","","","","","0.994","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112339","12.3513","0.0005","5.7088","0.0002","15.6453","0.0006","90","","111.935","0.001","90","","1023.31","0.07","250","","250","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0485","0.0421","","","0.1202","0.1263","","","","","","1.084","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112340","12.3207","0.0005","5.691","0.0002","15.5735","0.0006","90","","111.954","0.001","90","","1012.78","0.07","200","","200","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0477","0.0421","","","0.1194","0.1244","","","","","","1.102","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112341","12.2735","0.0006","5.6572","0.0003","15.4399","0.0007","90","","112.04","0.001","90","","993.71","0.08","90","","90","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0421","0.0395","","","0.1035","0.1059","","","","","","1.079","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112342","12.2933","0.0007","5.6612","0.0003","15.4447","0.0009","90","","112.103","0.001","90","","995.88","0.1","90","","90","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.042","0.0393","","","0.1055","0.1081","","","","","","1.098","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112343","12.2763","0.0004","5.6575","0.0002","15.4419","0.0006","90","","112.037","0.001","90","","994.13","0.06","90","","90","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0433","0.04","","","0.108","0.1107","","","","","","1.097","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112344","12.217","0.003","5.7999","0.0013","15.261","0.004","90","","112.447","0.004","90","","999.4","0.4","335","","335","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0552","0.0474","","","0.1373","0.1459","","","","","","1.098","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112345","12.1902","0.0013","5.7856","0.0006","15.2364","0.0016","90","","112.426","0.002","90","","993.32","0.18","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.05","0.0428","","","0.1269","0.1336","","","","","","1.11","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112346","12.1387","0.0006","5.7622","0.0003","15.1592","0.0008","90","","112.458","0.001","90","","979.9","0.09","250","","250","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0446","0.0398","","","0.1104","0.1145","","","","","","1.091","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112347","12.0949","0.0006","5.7366","0.0003","15.0923","0.0008","90","","112.456","0.001","90","","967.76","0.09","200","","200","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0423","0.0389","","","0.1077","0.1105","","","","","","1.085","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112348","12.0635","0.0005","5.7161","0.0003","15.0384","0.0007","90","","112.454","0.001","90","","958.37","0.08","150","","150","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0413","0.0386","","","0.1035","0.1056","","","","","","1.069","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112349","12.0291","0.0007","5.693","0.0003","14.9738","0.0009","90","","112.464","0.001","90","","947.62","0.09","90","","90","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0349","0.0328","","","0.0871","0.0888","","","","","","1.073","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112350","12.0365","0.0009","5.6958","0.0004","14.979","0.0011","90","","112.462","0.001","90","","949.01","0.12","90","","90","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0358","0.0336","","","0.0896","0.0913","","","","","","1.073","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112351","28.661","0.002","28.661","0.002","14.6656","0.0017","90","","90","","120","","10433.1","1.6","194","2","194","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C27 H30 N2 O -","- C27 H30 N2 O -","- C486 H540 N36 O18 -","18","1","","Artis Klapars; Sean Parris; Kevin W. Anderson; Stephen L. Buchwald","Synthesis of Medium Ring Nitrogen Heterocycles via a Tandem Copper-Catalyzed C-N Bond Formation-Ring-Expansion Process","Journal of the American Chemical Society","2004","126","","3529","3533","10.1021/ja038565t","","","0.71073","MoKα","","0.1146","0.0963","","","0.2802","0.2952","","","","","","1.14","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112352","18.5059","0.0007","18.5059","0.0007","9.9168","0.0007","90","","90","","120","","2941.2","0.3","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C2 H3 F N4 O1.65 Zn -","- C2 H3 F N4 O1.64933 Zn -","- C36 H54 F18 N72 O29.688 Zn18 -","18","0.5","","Cheng-Yong Su; Andrea M. Goforth; Mark D. Smith; P. J. Pellechia; Hans-Conrad zur Loye","Exceptionally Stable, Hollow Tubular Metal-Organic Architectures: Synthesis, Characterization, and Solid-State Transformation Study","Journal of the American Chemical Society","2004","126","","3576","3586","10.1021/ja039022m","","","0.71073","MoKα","","0.0265","0.0241","","","0.0631","0.0646","","","","","","1.065","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112353","18.5486","0.0007","18.5486","0.0007","9.8538","0.0007","90","","90","","120","","2936","0.3","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C2 H3 F N4 O0.86 Zn -","- C2 H3 F N4 O0.854 Zn -","- C36 H54 F18 N72 O15.372 Zn18 -","18","0.5","","Cheng-Yong Su; Andrea M. Goforth; Mark D. Smith; P. J. Pellechia; Hans-Conrad zur Loye","Exceptionally Stable, Hollow Tubular Metal-Organic Architectures: Synthesis, Characterization, and Solid-State Transformation Study","Journal of the American Chemical Society","2004","126","","3576","3586","10.1021/ja039022m","","","0.71073","MoKα","","0.0252","0.0233","","","0.0636","0.0647","","","","","","1.067","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112354","18.5744","0.0007","18.5744","0.0007","9.8413","0.0007","90","","90","","120","","2940.4","0.3","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C2 H3 F N4 O0.16 Zn -","- C2 H3 F N4 O0.155333 Zn -","- C36 H54 F18 N72 O2.796 Zn18 -","18","0.5","","Cheng-Yong Su; Andrea M. Goforth; Mark D. Smith; P. J. Pellechia; Hans-Conrad zur Loye","Exceptionally Stable, Hollow Tubular Metal-Organic Architectures: Synthesis, Characterization, and Solid-State Transformation Study","Journal of the American Chemical Society","2004","126","","3576","3586","10.1021/ja039022m","","","0.71073","MoKα","","0.0286","0.027","","","0.0674","0.0683","","","","","","1.072","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112355","8.8308","0.0013","14.646","0.003","12.0651","0.0014","90","","90.954","0.012","90","","1560.2","0.4","294.2","","294.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 O -","- C21 H26 O -","- C84 H104 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","1.5418","CuKα","","0.098","0.0541","","","0.1504","0.1854","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112356","9.262","0.0005","18.468","0.001","26.192","0.001","90","","90","","90","","4480.2","0.4","173.2","","173.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O -","- C15 H16 O -","- C240 H256 O16 -","16","4","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.7107","MoKα","","0.1001","0.042","","0.1054","","0.1054","","","0.868","","","0.868","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112357","6.5991","0.0007","19.209","0.001","9.996","0.001","90","","108.534","0.004","90","","1201.4","0.19","173.2","","173.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O -","- C16 H18 O -","- C64 H72 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.7107","MoKα","","0.0648","0.035","","0.0944","","0.0944","","","0.919","","","0.919","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112358","6.7952","0.0006","6.7557","0.0008","28.909","0.003","90","","92.94","0.01","90","","1325.4","0.2","294.2","","294.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O -","- C18 H20 O -","- C72 H80 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","1.5418","CuKα","","0.0687","0.053","","0.0584","","0.0497","","","1.613","","","1.551","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112359","17.788","0.002","12.827","0.002","12.96","0.001","90","","104.178","0.007","90","","2867","0.6","294.2","","294.2","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 O -","- C19 H22 O -","- C152 H176 O8 -","8","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","1.5418","CuKα","","0.0619","0.0499","","0.074","","0.0686","","","3.826","","","3.927","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112360","10.898","0.004","11.213","0.002","7.218","0.006","99.52","0.03","109.01","0.04","62.27","0.02","738.1","0.7","294.2","","294.2","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 O -","- C20 H24 O -","- C40 H48 O2 -","2","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.7107","MoKα","","0.1278","0.0483","","0.0553","","0.0501","","","1.72","","","2.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112361","19.318","0.004","8.282","0.002","10.045","0.001","90","","90","","90","","1607.1","0.5","294.2","","294.2","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H26 O -","- C21 H26 O -","- C84 H104 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","1.5418","CuKα","","0.0474","0.0414","","0.0496","","0.0494","","","3.495","","","3.676","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112362","6.8295","0.0002","19.8993","0.0006","9.9692","0.0003","90","","107.06","0.001","90","","1295.22","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 O -","- C17 H20 O -","- C68 H80 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0791","0.0467","","","0.1209","0.1359","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112363","6.1735","0.0003","10.8013","0.0001","11.4558","0.0002","71.66","0.008","83.76","0.01","78.36","0.01","709.34","0.05","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C34 H40 O6 -","2","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0486","0.0405","","","0.1134","0.1171","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112364","7.2743","0.0002","7.596","0.0002","24.9959","0.0006","90","","90.736","0.001","90","","1381.05","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O -","- C18 H22 O -","- C72 H88 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0686","0.0415","","","0.1069","0.1189","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112365","10.0868","0.0003","12.7692","0.0004","22.9818","0.0007","90","","90","","90","","2960.06","0.16","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H24 O -","- C19 H24 O -","- C152 H192 O8 -","8","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0735","0.0515","","","0.1471","0.1683","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112366","11.0402","0.0003","10.0777","0.0003","28.1303","0.0007","90","","90","","90","","3129.77","0.15","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H26 O -","- C20 H26 O -","- C160 H208 O8 -","8","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0734","0.0487","","","0.129","0.1445","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112367","9.8197","0.0003","10.4119","0.0003","13.0397","0.0003","90","","90","","90","","1333.2","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O -","- C17 H20 O -","- C68 H80 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0824","0.0515","","","0.128","0.1439","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112368","7.957","0.0002","14.1777","0.0004","24.8445","0.0006","90","","90","","90","","2802.76","0.13","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O -","- C18 H22 O -","- C144 H176 O8 -","8","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.105","0.0551","","","0.1494","0.1743","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112369","6.5562","0.0005","11.0177","0.0008","21.4829","0.0012","90","","87.323","0.004","90","","1550.11","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0605","0.0468","","","0.1694","0.2055","","","","","","0.91","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112370","11.3399","0.0008","6.5515","0.0008","22.473","0.001","90","","97.789","0.006","90","","1654.2","0.2","294.2","","294.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 O3 -","- C20 H23.999 O3 -","- C80 H95.996 O12 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","1.5418","CuKα","","0.0545","0.0403","","0.1262","","0.1262","","","1.916","","","1.916","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112371","6.2815","0.0004","7.2477","0.0006","18.712","0.0017","79.329","0.009","82.478","0.01","69.225","0.008","780.75","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C38 H48 O6 -","2","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0443","0.0362","","","0.0937","0.0969","","","","","","1.023","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112372","15.1864","0.0011","6.815","0.0005","14.9981","0.001","90","","90.383","0.004","90","","1552.2","0.19","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0623","0.0377","","","0.0867","0.0946","","","","","","0.922","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112373","8.915","0.003","15.248","0.008","23.181","0.005","90","","97.51","0.02","90","","3124","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O -","- C20 H25 O -","- C160 H200 O8 -","8","2","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0889","0.0503","","","0.1387","0.1638","","","","","","1.023","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112374","8.763","0.003","14.06","0.005","11.89","0.002","90","","90.51","0.02","90","","1464.9","0.8","294.2","","294.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 O -","- C20 H24 O -","- C80 H96 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","1.5418","CuKα","","0.0894","0.0454","","0.0527","","0.0492","","","2.224","","","2.636","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112375","8.3452","0.0002","12.2264","0.0004","16.0386","0.0005","90","","101.115","0.001","90","","1605.75","0.08","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 N4 -","- C20 H12 N4 -","- C80 H48 N16 -","4","1","","Jim-Min Fang; Srinivasan Selvi; Jen-Hai Liao; Zdenek Slanina; Chao-Tsen Chen; Pi-Tai Chou","Fluorescent and Circular Dichroic Detection of Monosaccharides by Molecular Sensors: Bis[(Pyrrolyl)ethynyl]naphthyridine and Bis[(Indolyl)ethynyl]naphthyridine","Journal of the American Chemical Society","2004","126","","3559","3566","10.1021/ja039237w","","","0.71073","MoKα","","0.0759","0.0447","","","0.1371","0.1528","","","","","","1.037","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112376","13.4316","0.0006","25.4173","0.0008","19.5229","0.0012","90","","90","","90","","6665","0.5","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C288 H288 N32 O32 -","16","4","","Jim-Min Fang; Srinivasan Selvi; Jen-Hai Liao; Zdenek Slanina; Chao-Tsen Chen; Pi-Tai Chou","Fluorescent and Circular Dichroic Detection of Monosaccharides by Molecular Sensors: Bis[(Pyrrolyl)ethynyl]naphthyridine and Bis[(Indolyl)ethynyl]naphthyridine","Journal of the American Chemical Society","2004","126","","3559","3566","10.1021/ja039237w","","","0.71073","MoKα","","0.24","0.1005","","","0.207","0.3049","","","","","","1.045","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112377","31.393","0.0004","31.393","0.0004","12.7243","0.0002","90","","90","","120","","10860","0.3","100","0.1","100","","","","","","","","synthesis as described","4","P 6","P 6","168","gramsd","","","- C52 H85 N11 O12 -","- C52 H85 N11 O17.75 -","- C312 H510 N66 O106.5 -","6","1","","Gijsbert M. Grotenbreg; Mattie S. M. Timmer; Antonio L. Llamas-Saiz; Martijn Verdoes; Gijsbert A. van der Marel; Mark J. van Raaij; Herman S. Overkleeft; Mark Overhand","An Unusual Reverse Turn Structure Adopted by a Furanoid Sugar Amino Acid Incorporated in Gramicidin S","Journal of the American Chemical Society","2004","126","","3444","3446","10.1021/ja0397254","","x-ray","1.5418","CuKα","","0.1093","0.0982","","","0.2423","0.259","","","","","","1.072","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112378","8.72","0.0002","16.612","0.0003","13.944","0.0001","90","","102.536","0.001","90","","1971.73","0.06","169.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 Cl P2 W -","- C16 H30 Cl P2 W -","- C64 H120 Cl4 P8 W4 -","4","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","","0.0326","","","","0.0371","","","","","","1.411","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112379","15.2193","0.0002","15.9706","0.0002","17.2664","0.0003","90","","96.322","0.001","90","","4171.27","0.11","153.2","","153.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 B F20 P2 W -","- C41 H29 B F20 P2 W -","- C164 H116 B4 F80 P8 W4 -","4","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","0.0668","0.0415","","0.05","0.0449","","","","","","","1.393","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112380","27.488","0.0001","15.5223","0.0002","21.3367","0.0003","90","","90","","90","","9103.88","0.18","273.2","","155","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C42 H39 B F20 P2 Si W -","- C43 H37 B F20 P2 Si W -","- C344 H296 B8 F160 P16 Si8 W8 -","8","2","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","0.0363","0.03","","0.0377","0.0366","","","","","","","1.468","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112381","12.822","0.001","14.878","0.001","15.005","0.001","114.902","0.001","110.473","0.001","94.868","0.001","2339.8","0.3","115","1","115","1","","","","","","","","7","P -1","-P 1","2","","","","- C46 H31 B F21 N P2 W -","- C46 H31 B F21 N P2 W -","- C92 H62 B2 F42 N2 P4 W2 -","2","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.71073","MoKα","","0.0626","0.0461","","0.1171","0.1096","","","","1.076","1.118","1.118","","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112382","17.2867","0.0002","9.2357","0.0002","17.8766","0.0004","90","","115.65","0.001","90","","2572.83","0.09","273.2","","142","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H39 Cl P2 Si W -","- C23 H39 Cl P2 Si W -","- C92 H156 Cl4 P8 Si4 W4 -","4","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","0.0847","0.0517","","0.0664","0.0599","0.0599","","","","","","1.626","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112383","18.3293","0.0001","17.9586","0.0004","20.499","0.0001","90","","90","","90","","6747.63","0.16","168","","168","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H50 P2 Si W -","- C35 H50 P2 Si W -","- C280 H400 P16 Si8 W8 -","8","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","0.0868","0.0234","","0.0366","0.0222","0.0222","","","","","","0.646","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112384","16.242","0.0004","16.242","0.0003","33.5243","0.0008","90","","90","","90","","8843.8","0.3","161","","273.2","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C40 H31 B Cl2 F20 P2 W -","- C40 H31 B Cl2 F20 P2 W -","- C320 H248 B8 Cl16 F160 P16 W8 -","8","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","0.0728","0.043","","0.0744","0.0498","0.0498","","","","","","1.153","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112385","23.254","0.002","13.8095","0.0015","25.875","0.003","90","","90","","90","","8309.1","1.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Dipp*SnCH2parat-butylbenzyl)2.0.5hexane","","","- C89 H120 Sn2 -","- C88 H121 Sn2 -","- C352 H484 Sn8 -","4","0.5","","Corneliu Stanciu; Anne F. Richards; Philip P. Power","Characterization of Ar'Sn(μ-Br)Sn(Ar')CH2C6H4-4-Pri (Ar' = C6H3-2,6-Dipp2; Dipp = C6H3-2,6-Pri2): A Stable Structural Analogue for a Heavier Group 14 Element Monobridged Alkene Isomer HM(μ-H)MH2 (M = Sn or Pb)","Journal of the American Chemical Society","2004","126","","4106","4107","10.1021/ja0316871","","","0.71073","MoKα","","0.0877","0.0607","","","0.1607","0.1775","","","","","","0.949","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112386","12.7124","0.0011","13.8727","0.0012","19.8044","0.0018","85.282","0.002","84.227","0.002","67.277","0.002","3201.6","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Dipp*SnparaisopropylbenzylμBrSnDipp*.hexane","","","- C73 H94 Br Sn2 -","- C73 H94 Br Sn2 -","- C146 H188 Br2 Sn4 -","2","1","","Corneliu Stanciu; Anne F. Richards; Philip P. Power","Characterization of Ar'Sn(μ-Br)Sn(Ar')CH2C6H4-4-Pri (Ar' = C6H3-2,6-Dipp2; Dipp = C6H3-2,6-Pri2): A Stable Structural Analogue for a Heavier Group 14 Element Monobridged Alkene Isomer HM(μ-H)MH2 (M = Sn or Pb)","Journal of the American Chemical Society","2004","126","","4106","4107","10.1021/ja0316871","","","0.71073","MoKα","","0.0731","0.0386","","","0.0715","0.0776","","","","","","0.945","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112387","15.7","0.0002","9.996","0.0001","23.482","0.0003","90","","106.632","0.0008","90","","3531.02","0.07","150","2","150","2","","","","","","","synthesized by the authors","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H51 B12 Br N Na O3 -","- C25 H51 B12 Br N Na O3 -","- C100 H204 B48 Br4 N4 Na4 O12 -","4","1","","Zbyněk Janoušek; Uwe Lehmann; Jakub Častulík; Ivana Císařová; Josef Michl","Li±Induced σ-Bond Metathesis: Aryl for Methyl Exchange on Boron in a Methylated Monocarbadodecaborate Anion","Journal of the American Chemical Society","2004","126","","4060","4061","10.1021/ja0387857","","","0.71073","MoKα","","0.0682","0.0524","","","0.1318","0.1413","","","","","","1.043","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112388","8.063","0.003","8.063","0.003","8.51","0.004","90","","90","","120","","479.1","0.3","223","2","223","2","","","","","","","","3","P 3 1 m","P 3 -2","157","","","","- Ag3 Li17 Sn6 -","- Ag3 Li17 Sn6 -","- Ag3 Li17 Sn6 -","1","0.166667","","Corina Lupu; Craig Downie; Arnold M. Guloy; Thomas A. Albright; Jiang-Gao Mao","Li17Ag3Sn6: A Polar Intermetallic π-System with Carbonate-like [AgSn3]11- Anions and Trefoil Aromatic [Ag2Sn3]6- Layers","Journal of the American Chemical Society","2004","126","","4386","4397","10.1021/ja038868n","","","0.71073","MoKα","","0.0508","0.0446","","","0.0977","0.102","","","","","","1.145","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112389","11.098","0.002","11.098","0.002","10.3496","0.0019","90","0.004","90","0.004","120","0.004","1103.9","0.3","298","2","298","2","","","","","","","","3","P -3","-P 3","147","","","","- Al56 Ge3 Mn14 -","- Al56 Ge3 Mn14 -","- Al56 Ge3 Mn14 -","1","0.166667","","Li-Ming Wu; Dong-Kyun Seo","Mn14Al56+xGe3-x (x= 0-0.6): A New Intermetallic Phase Containing Unprecedented ""Half-Broken"" Mackay Icosahedra as Building Units","Journal of the American Chemical Society","2004","126","","4398","4403","10.1021/ja039154f","","","0.71073","MoKα","","0.0465","0.0431","","","0.0848","0.0865","","","","","","1.072","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112390","11.1018","0.0013","11.1018","0.0013","10.3501","0.0017","90","","90","","120","","1104.7","0.3","298","2","298","2","","","","","","","","3","P -3","-P 3","147","","","","- Al56.31 Ge2.69 Mn14 -","- Al56.33 Ge2.67 Mn14 -","- Al56.33 Ge2.67 Mn14 -","1","0.166667","","Li-Ming Wu; Dong-Kyun Seo","Mn14Al56+xGe3-x (x= 0-0.6): A New Intermetallic Phase Containing Unprecedented ""Half-Broken"" Mackay Icosahedra as Building Units","Journal of the American Chemical Society","2004","126","","4398","4403","10.1021/ja039154f","","","0.71073","MoKα","","0.0255","0.0234","","","0.0505","0.0514","","","","","","1.036","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112391","11.103","0.002","11.103","0.002","10.3537","0.0019","90","0.004","90","0.004","120","0.004","1105.4","0.3","298","2","298","2","","","","","","","","3","P -3","-P 3","147","","","","- Al56.61 Ge2.39 Mn14 -","- Al56.612 Ge2.388 Mn14 -","- Al56.612 Ge2.388 Mn14 -","1","0.166667","","Li-Ming Wu; Dong-Kyun Seo","Mn14Al56+xGe3-x (x= 0-0.6): A New Intermetallic Phase Containing Unprecedented ""Half-Broken"" Mackay Icosahedra as Building Units","Journal of the American Chemical Society","2004","126","","4398","4403","10.1021/ja039154f","","","0.71073","MoKα","","0.0454","0.0376","","","0.065","0.0679","","","","","","1.077","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112392","14.517","0.002","9.7011","0.0013","16.816","0.002","90","","99.82","0.002","90","","2333.5","0.5","158","2","158","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 Cl4 N4 O4 S6 -","- C42 H50 Cl4 N4 O4 S6 -","- C84 H100 Cl8 N8 O8 S12 -","2","0.5","","M. David Curtis; Jie Cao; Jeff W. Kampf","Solid-State Packing of Conjugated Oligomers: From π-Stacks to the Herringbone Structure","Journal of the American Chemical Society","2004","126","","4318","4328","10.1021/ja0397916","","","0.71073","MoKα","","0.0529","0.0381","","","0.0981","0.1035","","","","","","1.044","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112393","22.497","0.002","5.3135","0.0005","18.5971","0.0017","90","","111.039","0.001","90","","2074.9","0.3","158","2","158","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N4 S4 -","- C20 H22 N4 S4 -","- C80 H88 N16 S16 -","4","0.5","","M. David Curtis; Jie Cao; Jeff W. Kampf","Solid-State Packing of Conjugated Oligomers: From π-Stacks to the Herringbone Structure","Journal of the American Chemical Society","2004","126","","4318","4328","10.1021/ja0397916","","","0.71073","MoKα","","0.0391","0.0339","","","0.0822","0.0841","","","","","","1.074","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112394","22.664","0.006","5.1881","0.0014","22.754","0.006","90","","113.443","0.004","90","","2454.6","1.1","158","2","158","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H12 N2 O2 S2 -","- C11 H12 N2 O2 S2 -","- C88 H96 N16 O16 S16 -","8","1","","M. David Curtis; Jie Cao; Jeff W. Kampf","Solid-State Packing of Conjugated Oligomers: From π-Stacks to the Herringbone Structure","Journal of the American Chemical Society","2004","126","","4318","4328","10.1021/ja0397916","","","0.71073","MoKα","","0.0382","0.0294","","","0.0726","0.0771","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112395","11.12","0.006","5.343","0.003","18.816","0.009","90","","97.526","0.008","90","","1108.3","1","158","2","158","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N4 O4 S2 -","- C22 H22 N4 O4 S2 -","- C44 H44 N8 O8 S4 -","2","0.5","","M. David Curtis; Jie Cao; Jeff W. Kampf","Solid-State Packing of Conjugated Oligomers: From π-Stacks to the Herringbone Structure","Journal of the American Chemical Society","2004","126","","4318","4328","10.1021/ja0397916","","","0.71073","MoKα","","0.0551","0.0345","","","0.0823","0.0894","","","","","","1.031","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112396","16.161","0.0001","4.9769","0.0001","15.2177","0.0002","90","","100.91","0.001","90","","1201.86","0.03","158","2","158","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 S2 -","- C26 H42 S2 -","- C52 H84 S4 -","2","0.5","","M. David Curtis; Jie Cao; Jeff W. Kampf","Solid-State Packing of Conjugated Oligomers: From π-Stacks to the Herringbone Structure","Journal of the American Chemical Society","2004","126","","4318","4328","10.1021/ja0397916","","","0.71073","MoKα","","0.0317","0.0288","","","0.0806","0.0826","","","","","","1.076","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112397","13.7879","0.0011","5.19","0.0004","22.585","0.002","90","","100.926","0.002","90","","1586.9","0.2","158","2","158","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N4 S4 -","- C32 H38 N4 S4 -","- C64 H76 N8 S8 -","2","0.5","","M. David Curtis; Jie Cao; Jeff W. Kampf","Solid-State Packing of Conjugated Oligomers: From π-Stacks to the Herringbone Structure","Journal of the American Chemical Society","2004","126","","4318","4328","10.1021/ja0397916","","","0.71073","MoKα","","0.1252","0.0588","","0.1134","0.0939","","","","1.008","1.163","1.163","","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112398","10.288","0.002","15.757","0.003","20.811","0.004","90","","90","0.004","90","","3373.6","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bromoiron(III)2-aza-21-carba-5,10,15,20-tetraphenylporphyrin","","- C44 H28 Br Fe N4 -","- C44 H28 Br Fe N4 -","- C176 H112 Br4 Fe4 N16 -","4","1","","Krystyna Rachlewicz; Sian-Ling Wang; Jia-Ling Ko; Chen-Hsiung Hung; Lechosław Latos-Grażyński","Oxidation and Oxygenation of Iron Complexes of 2-Aza-21-carbaporphyrin","Journal of the American Chemical Society","2004","126","","4420","4431","10.1021/ja039792y","","","0.71073","MoKα","","0.2401","0.0449","","","0.091","0.1586","","","","","","0.583","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112399","33.229","0.004","13.2249","0.0015","18.102","0.002","90","","94.06","0.002","90","","7935","1.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bromoiron(III) 2-aza-21-carba-21-oxo-5,10,15,20-tetraphenylporphyrin toluene solvate","","- C51 H36 Br Fe N4 O -","- C51 H28 Br Fe N4 O -","- C408 H224 Br8 Fe8 N32 O8 -","8","1","","Krystyna Rachlewicz; Sian-Ling Wang; Jia-Ling Ko; Chen-Hsiung Hung; Lechosław Latos-Grażyński","Oxidation and Oxygenation of Iron Complexes of 2-Aza-21-carbaporphyrin","Journal of the American Chemical Society","2004","126","","4420","4431","10.1021/ja039792y","","","0.71073","MoKα","","0.1616","0.051","","","0.1043","0.1606","","","","","","1.034","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112400","7.7451","0.0005","10.4763","0.0006","15.3434","0.0006","90","","90","","90","","1244.96","0.12","298","2","298","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Sape S. Kinderman; René de Gelder; Jan H. van Maarseveen; Hans E. Schoemaker; Henk Hiemstra; Floris P. J. T. Rutjes","Amidopalladation of Alkoxyallenes Applied in the Synthesis of an Enantiopure 1-Ethylquinolizidine Frog Alkaloid","Journal of the American Chemical Society","2004","126","","4100","4101","10.1021/ja039919j","","","0.71073","MoKα","","0.0834","0.0442","","0.0813","0.073","0.0813","","","1.058","","","1.058","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112401","13.1593","0.0003","13.2888","0.0006","6.9813","0.0006","90","","100.367","0.003","90","","1200.9","0.12","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Cheol-Kyu Jung; Jian-Cheng Wang; Michael J. Krische","Phosphine-Mediated Reductive Condensation of γ-Acyloxy Butynoates: A Diversity Oriented Strategy for the Construction of Substituted Furans","Journal of the American Chemical Society","2004","126","","4118","4119","10.1021/ja049377l","","","0.71073","MoKα","","0.2318","0.1881","","","0.1504","0.1552","","","","","","2.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112402","13.33","0.002","7.2301","0.0013","11.752","0.002","90","","90","","90","","1132.6","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","","Yuhei Yamamoto; Hisashi Yamamoto","Catalytic, Highly Enantio, and Diastereoselective Nitroso Diels-Alder Reaction","Journal of the American Chemical Society","2004","126","","4128","4129","10.1021/ja049849w","","","0.71073","MoKα","","0.0311","0.0307","","","0.0828","0.0835","","","","","","0.969","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112403","8.5846","0.0018","9.831","0.002","17.87","0.004","86.769","0.004","84.258","0.004","74.577","0.004","1445.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","2","","Yuhei Yamamoto; Hisashi Yamamoto","Catalytic, Highly Enantio, and Diastereoselective Nitroso Diels-Alder Reaction","Journal of the American Chemical Society","2004","126","","4128","4129","10.1021/ja049849w","","","0.71073","MoKα","","0.0623","0.0561","","","0.1134","0.116","","","","","","1.23","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112404","7.5035","0.0015","8.0281","0.0016","16.113","0.003","90","","93.876","0.004","90","","968.4","0.3","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Br N4 O6 -","- C19 H17 Br N4 O6 -","- C38 H34 Br2 N8 O12 -","2","1","","Yuhei Yamamoto; Hisashi Yamamoto","Catalytic, Highly Enantio, and Diastereoselective Nitroso Diels-Alder Reaction","Journal of the American Chemical Society","2004","126","","4128","4129","10.1021/ja049849w","","","0.71073","MoKα","","0.0362","0.0331","","","0.0719","0.0728","","","","","","0.958","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112405","15.611","0.0008","9.5413","0.0004","10.5184","0.0004","90","","90","","90","","1566.71","0.12","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Hye-Young Jang; Ryan R. Huddleston; Michael J. Krische","Hydrogen-Mediated C-C Bond Formation: Catalytic Regio- and Stereoselective Reductive Condensation of α-Keto Aldehydes and 1,3-Enynes","Journal of the American Chemical Society","2004","126","","4664","4668","10.1021/ja0316566","","","0.71073","MoKα","","0.1551","0.0497","","","0.0805","0.1034","","","","","","0.993","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112406","25.145","0.003","17.77","0.003","16.346","0.003","90","","97.789","0.003","90","","7236","2","100","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Zirconium","Zirconium Disilyl triamdie and Zirconium pentaamide dilithium tetra THF","","- C64 H118 Li2 N8 O4 Si2 Zr2 -","- C64 H118 Li2 N8 O4 Si2 Zr2 -","- C256 H472 Li8 N32 O16 Si8 Zr8 -","4","0.5","","Xianghua Yu; Hu Cai; Ilia A. Guzei; Ziling Xue","Unusual Equilibria Involving Group 4 Amides, Silyl Complexes, and Silyl Anions via Ligand Exchange Reactions","Journal of the American Chemical Society","2004","126","","4472","4473","10.1021/ja031899y","","","0.71073","MoKα","","0.0567","0.0396","","","0.103","0.1169","","","","","","1.041","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112407","16.4939","0.001","19.6187","0.0012","16.9722","0.001","90","","112.471","0.001","90","","5075","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H21 Al F28 Zr -","- C58 H21 Al F28 Zr -","- C232 H84 Al4 F112 Zr4 -","4","1","","Ming-Chou Chen; John A. S. Roberts; Tobin J. Marks","Marked Counteranion Effects on Single-Site Olefin Polymerization Processes. Correlations of Ion Pair Structure and Dynamics with Polymerization Activity, Chain Transfer, and Syndioselectivity","Journal of the American Chemical Society","2004","126","","4605","4625","10.1021/ja036288k","","","0.71073","MoKα","","0.0818","0.0503","","","0.1206","0.1374","","","","","","0.981","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112408","13.5302","0.0018","26.815","0.004","12.4684","0.0016","90","","116.673","0.002","90","","4042.3","1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 B F15 Zr -","- C48 H32 B F15 Zr -","- C192 H128 B4 F60 Zr4 -","4","1","","Ming-Chou Chen; John A. S. Roberts; Tobin J. Marks","Marked Counteranion Effects on Single-Site Olefin Polymerization Processes. Correlations of Ion Pair Structure and Dynamics with Polymerization Activity, Chain Transfer, and Syndioselectivity","Journal of the American Chemical Society","2004","126","","4605","4625","10.1021/ja036288k","","","0.71073","MoKα","","0.1542","0.0548","","","0.1079","0.1344","","","","","","0.88","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112409","29.782","0.002","14.5982","0.0012","20.4603","0.0016","90","","90.156","0.001","90","","8895.4","1.2","193","2","193","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C30 H61 Cl2 N11 O14 Pt S -","- C30 H46 Cl2 N11 O14 Pt S -","- C240 H368 Cl16 N88 O112 Pt8 S8 -","8","2","","Hemanta Baruah; Cynthia S. Day; Marcus W. Wright; Ulrich Bierbach","Metal-Intercalator-Mediated Self-Association and One-Dimensional Aggregation in the Structure of the Excised Major DNA Adduct of a Platinum-Acridine Agent","Journal of the American Chemical Society","2004","126","","4492","4493","10.1021/ja038592j","","x-ray","0.71073","MoKα","","0.0563","0.0414","","","0.0918","0.0966","","","","","","1.002","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112410","12.3457","0.0001","12.7898","0.0001","35.4098","0.0002","81.265","0.006","82.568","0.006","59.937","0.008","4773.6","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Chlorocadmium(II) 6,11,16,21-Tetraphenyl-m-benziporphyrin chloroform 1.5 solvate, dodecane 0.25 solvate","","- C52.5 H35 Cd Cl5.5 N3 -","- C53.55 H35.5105 Cd Cl6.137 N3 -","- C214.2 H142.042 Cd4 Cl24.548 N12 -","4","2","","Marcin Stępień; Lechosław Latos-Grażyński; Ludmiła Szterenberg; Jarosław Panek; Zdzisław Latajka","Cadmium(II) and Nickel(II) Complexes of Benziporphyrins. A Study of Weak Intramolecular Metal-Arene Interactions","Journal of the American Chemical Society","2004","126","","4566","4580","10.1021/ja039384u","","","0.71073","MoKα","","0.1241","0.0676","","","0.1514","0.1715","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112411","10.2718","0.0007","12.3465","0.001","20.0001","0.0013","107.586","0.007","96.073","0.006","101.455","0.007","2332.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Chloronickel(II) 6,11,16,21-tetraphenyl-m-benziporphyrin chloroform trisolvate","","- C49 H33 Cl10 N3 Ni -","- C49 H33 Cl10 N3 Ni -","- C98 H66 Cl20 N6 Ni2 -","2","1","","Marcin Stępień; Lechosław Latos-Grażyński; Ludmiła Szterenberg; Jarosław Panek; Zdzisław Latajka","Cadmium(II) and Nickel(II) Complexes of Benziporphyrins. A Study of Weak Intramolecular Metal-Arene Interactions","Journal of the American Chemical Society","2004","126","","4566","4580","10.1021/ja039384u","","","0.71073","MoKα","","0.0931","0.0538","","","0.1057","0.1212","","","","","","1.032","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112412","8.858","0.001","13.782","0.001","18.2964","0.001","68.408","0.006","85.394","0.005","75.773","0.005","2013.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Chloronickel(II) 5,10,15,20-Tetraphenyl-p-benziporphyrin dichloromethane disolvate","","- C48 H34 Cl5 N3 Ni -","- C48 H34 Cl5.034 N3 Ni -","- C96 H68 Cl10.068 N6 Ni2 -","2","1","","Marcin Stępień; Lechosław Latos-Grażyński; Ludmiła Szterenberg; Jarosław Panek; Zdzisław Latajka","Cadmium(II) and Nickel(II) Complexes of Benziporphyrins. A Study of Weak Intramolecular Metal-Arene Interactions","Journal of the American Chemical Society","2004","126","","4566","4580","10.1021/ja039384u","","","0.71073","MoKα","","0.1051","0.0676","","","0.176","0.1948","","","","","","1.13","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112413","15.8965","0.0008","15.8965","0.0008","6.8206","0.0005","90","","90","","90","","1723.56","0.18","293","2","173","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ge3 Sb5 Yb8 -","- Ge3 Sb5 Yb8 -","- Ge12 Sb20 Yb32 -","4","0.125","","James R. Salvador; Daniel Bilc; S. D. Mahanti; Tim Hogan; Fu Guo; Mercouri G. Kanatzidis","Yb8Ge3Sb5, a Metallic Mixed-Valent Zintl Phase Containing the Polymeric 1\ιnfty[Ge34-] Anions","Journal of the American Chemical Society","2004","126","","4474","4475","10.1021/ja0395487","","","0.71073","MoKα","","0.0308","0.0276","","","0.064","0.065","","","","","","1.264","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112414","10.5805","0.0007","12.4401","0.0008","18.6906","0.0012","90","","90","","90","","2460.1","0.3","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 Cl8 N2 Pd -","- C17 H28 Cl8 N2 Pd -","- C68 H112 Cl32 N8 Pd4 -","4","1","","Raissa M. Trend; Brian M. Stoltz","An Experimentally Derived Model for Stereoselectivity in the Aerobic Oxidative Kinetic Resolution of Secondary Alcohols by (Sparteine)PdCl2","Journal of the American Chemical Society","2004","126","","4482","4483","10.1021/ja039551q","","","0.71073","MoKα","","0.0436","0.0332","","","0.0526","0.0538","","","","","","1.367","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4112415","10.3598","0.0002","22.2422","0.0003","10.8117","0.0002","90","","104.302","0.001","90","","2414.07","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H31 Cl F6 N3 Pd Sb -","- C20 H31 Cl F6 N3 Pd Sb -","- C80 H124 Cl4 F24 N12 Pd4 Sb4 -","4","2","","Raissa M. Trend; Brian M. Stoltz","An Experimentally Derived Model for Stereoselectivity in the Aerobic Oxidative Kinetic Resolution of Secondary Alcohols by (Sparteine)PdCl2","Journal of the American Chemical Society","2004","126","","4482","4483","10.1021/ja039551q","","","0.71073","MoKα","","0.0709","0.0503","","","0.0842","0.0864","","","","","","1.664","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112416","12.3773","0.0002","13.1425","0.0002","18.706","0.0003","90","","90","","90","","3042.88","0.08","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Cl F6 N3 Pd Sb -","- C29 H41 Cl F6 N3 Pd Sb -","- C116 H164 Cl4 F24 N12 Pd4 Sb4 -","4","1","","Raissa M. Trend; Brian M. Stoltz","An Experimentally Derived Model for Stereoselectivity in the Aerobic Oxidative Kinetic Resolution of Secondary Alcohols by (Sparteine)PdCl2","Journal of the American Chemical Society","2004","126","","4482","4483","10.1021/ja039551q","","","0.71073","MoKα","","0.045","0.0313","","","0.0489","0.0507","","","","","","1.165","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112417","14.8633","0.0003","13.4427","0.0003","15.0189","0.0003","90","","98.541","0.001","90","","2967.54","0.11","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H36 Cl5 F3 N2 O Pd -","- C25 H36 Cl5 F3 N2 O Pd -","- C100 H144 Cl20 F12 N8 O4 Pd4 -","4","2","","Raissa M. Trend; Brian M. Stoltz","An Experimentally Derived Model for Stereoselectivity in the Aerobic Oxidative Kinetic Resolution of Secondary Alcohols by (Sparteine)PdCl2","Journal of the American Chemical Society","2004","126","","4482","4483","10.1021/ja039551q","","","0.71073","MoKα","","0.0826","0.0401","","","0.0608","0.0669","","","","","","0.987","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112418","9.2815","0.0003","11.4873","0.0004","15.1073","0.0005","90","","90","","90","","1610.73","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Cl2 N2 Pd -","- C15 H26 Cl2 N2 Pd -","- C60 H104 Cl8 N8 Pd4 -","4","1","","Raissa M. Trend; Brian M. Stoltz","An Experimentally Derived Model for Stereoselectivity in the Aerobic Oxidative Kinetic Resolution of Secondary Alcohols by (Sparteine)PdCl2","Journal of the American Chemical Society","2004","126","","4482","4483","10.1021/ja039551q","","","0.71073","MoKα","","0.0452","0.0317","","","0.0525","0.0542","","","","","","1.139","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112419","23.56","0.005","13.386","0.003","15.539","0.003","90","","124.76","0.03","90","","4026","2","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Tetrabutylammonium superoxide ammoniate","Tetrabutylammonium hyperoxide ammoniate","","- C16 H43.5 N3.5 O2 -","- C16 H43.5 N3.5 O2 -","- C128 H348 N28 O16 -","8","1","","Pascal D. C. Dietzel; Reinhard K. Kremer; Martin Jansen","Tetraorganylammonium Superoxide Compounds: Close to Unperturbed Superoxide Ions in the Solid State","Journal of the American Chemical Society","2004","126","","4689","4696","10.1021/ja039880i","","","0.56085","AgKα","","0.0786","0.0576","","","0.1293","0.1413","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112420","7.0496","0.0011","9.9887","0.0014","12.55","0.002","90","","90","","90","","883.7","0.2","123","2","123","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Trimethylphenylammonium hyperoxide","","- C9 H14 N O2 -","- C9 H14 N O2 -","- C36 H56 N4 O8 -","4","1","","Pascal D. C. Dietzel; Reinhard K. Kremer; Martin Jansen","Tetraorganylammonium Superoxide Compounds: Close to Unperturbed Superoxide Ions in the Solid State","Journal of the American Chemical Society","2004","126","","4689","4696","10.1021/ja039880i","","","0.71073","MoKα","","0.0633","0.0439","","","0.1057","0.1178","","","","","","1.051","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112421","12.9","0.002","10.3505","0.0017","20.172","0.003","90","","97.446","0.002","90","","2670.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","pentaerythritol-tetrakis(2,3,5,6-tetrafluoro-4iodophenyl)ether. trans-1,2-(4-pyridyl)ethylene","","- C53 H28 F16 I4 N4 O4 -","- C53 H28 F16 I4 N4 O4 -","- C106 H56 F32 I8 N8 O8 -","2","0.5","","Tullio Caronna; Rosalba Liantonio; Thomas A. Logothetis; Pierangelo Metrangolo; Tullio Pilati; Giuseppe Resnati","Halogen Bonding and π...π Stacking Control Reactivity in the Solid State","Journal of the American Chemical Society","2004","126","","4500","4501","10.1021/ja039884n","","","0.71073","MoKα","","0.0432","0.0332","","","0.1051","0.1104","","","","","","1.037","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112422","22.805","0.005","15.455","0.003","15.417","0.003","90","","129.68","0.03","90","","4182","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","pentaerythritol-tetrakis(2,3,5,6-tetrafluoro-4iodophenyl)ether. 1,2-diaminoethane","","- C33 H24 F16 I4 N4 O4 -","- C33 H16 F16 I4 N4 O4 -","- C132 H64 F64 I16 N16 O16 -","4","0.5","","Tullio Caronna; Rosalba Liantonio; Thomas A. Logothetis; Pierangelo Metrangolo; Tullio Pilati; Giuseppe Resnati","Halogen Bonding and π...π Stacking Control Reactivity in the Solid State","Journal of the American Chemical Society","2004","126","","4500","4501","10.1021/ja039884n","","","0.71073","MoKα","","0.0571","0.0423","","","0.1168","0.127","","","","","","1.076","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112423","13.8476","0.0009","14.5772","0.0009","20.3589","0.0013","90","","90","","90","","4109.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H48 B Fe P3 -","- C51 H48 B Fe P3 -","- C204 H192 B4 Fe4 P12 -","4","1","","Steven D. Brown; Jonas C. Peters","Hydrogenolysis of [PhBP3]Fe\τbN-p-tolyl: Probing the Reactivity of an Iron Imide with H2","Journal of the American Chemical Society","2004","126","","4538","4539","10.1021/ja0399122","","","0.71073","MoKα","","0.0937","0.0478","","","0.0629","0.0688","","","","","","1.13","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112424","10.0087","0.0009","14.834","0.0013","15.285","0.0013","80.11","0.002","77.925","0.002","87.176","0.002","2186","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H49 B Fe N P3 -","- C52 H49 B Fe N P3 -","- C104 H98 B2 Fe2 N2 P6 -","2","1","","Steven D. Brown; Jonas C. Peters","Hydrogenolysis of [PhBP3]Fe\τbN-p-tolyl: Probing the Reactivity of an Iron Imide with H2","Journal of the American Chemical Society","2004","126","","4538","4539","10.1021/ja0399122","","","0.71073","MoKα","","0.0776","0.0489","","","0.0813","0.0846","","","","","","1.956","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112425","9.1867","0.0004","13.3083","0.0006","13.6383","0.0007","87.887","0.001","78.346","0.001","77.745","0.001","1595.79","0.13","193","2","193","2","","","","","","","","5","P -1","-P 1","2","holjv21","bis(diketiminate)mu-sulfidodiiron(ii)","","- C58 H82 Fe2 N4 S -","- C58 H82 Fe2 N4 S -","- C58 H82 Fe2 N4 S -","1","0.5","","Javier Vela; Sebastian Stoian; Christine J. Flaschenriem; Eckard Münck; Patrick L. Holland","A Sulfido-Bridged Diiron(II) Compound and Its Reactions with Nitrogenase-Relevant Substrates","Journal of the American Chemical Society","2004","126","","4522","4523","10.1021/ja049417l","","","0.71073","MoKα","","0.0828","0.075","","","0.2165","0.2233","","","","","","1.067","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112426","8.926","0.0006","13.2286","0.0009","13.8214","0.001","87.708","0.001","80.563","0.001","78.737","0.001","1578.86","0.19","193","2","193","2","","","","","","","","5","P 1","P 1","1","1(MeCN)","","","- C60 H85 Fe2 N5 S -","- C60 H85 Fe2 N5 S -","- C60 H85 Fe2 N5 S -","1","1","","Javier Vela; Sebastian Stoian; Christine J. Flaschenriem; Eckard Münck; Patrick L. Holland","A Sulfido-Bridged Diiron(II) Compound and Its Reactions with Nitrogenase-Relevant Substrates","Journal of the American Chemical Society","2004","126","","4522","4523","10.1021/ja049417l","","","0.71073","MoKα","","0.0837","0.0668","","","0.1799","0.2005","","","","","","1.082","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112427","14.7025","0.0013","16.3018","0.0014","25.56","0.002","90","","90","","90","","6126.1","0.9","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1(H2NNHMe)2","","","- C60 H94 Fe2 N8 S -","- C60 H94 Fe2 N8 S -","- C240 H376 Fe8 N32 S4 -","4","1","","Javier Vela; Sebastian Stoian; Christine J. Flaschenriem; Eckard Münck; Patrick L. Holland","A Sulfido-Bridged Diiron(II) Compound and Its Reactions with Nitrogenase-Relevant Substrates","Journal of the American Chemical Society","2004","126","","4522","4523","10.1021/ja049417l","","","0.71073","MoKα","","0.0613","0.0478","","","0.0944","0.0994","","","","","","1.111","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112428","18.143","0.003","14.296","0.002","24.361","0.004","90","","92.63","0.003","90","","6311.9","1.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1(H2NNMe2)2","","","- C62 H98 Fe2 N8 S -","- C62 H98 Fe2 N8 S -","- C248 H392 Fe8 N32 S4 -","4","1","","Javier Vela; Sebastian Stoian; Christine J. Flaschenriem; Eckard Münck; Patrick L. Holland","A Sulfido-Bridged Diiron(II) Compound and Its Reactions with Nitrogenase-Relevant Substrates","Journal of the American Chemical Society","2004","126","","4522","4523","10.1021/ja049417l","","","0.71073","MoKα","","0.0748","0.0508","","","0.1111","0.1201","","","","","","1.061","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112429","19.4","0.003","15.347","0.002","22.89","0.003","90","","93.836","0.002","90","","6799.8","1.6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1(NH3)2","","","- C68 H112 Fe2 N6 S -","- C68 H112 Fe2 N6 S -","- C272 H448 Fe8 N24 S4 -","4","0.5","","Javier Vela; Sebastian Stoian; Christine J. Flaschenriem; Eckard Münck; Patrick L. Holland","A Sulfido-Bridged Diiron(II) Compound and Its Reactions with Nitrogenase-Relevant Substrates","Journal of the American Chemical Society","2004","126","","4522","4523","10.1021/ja049417l","","","0.71073","MoKα","","0.0657","0.0526","","","0.1455","0.1556","","","","","","1.033","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112430","14.4629","0.0014","36.477","0.004","14.7829","0.0015","90","","112.165","0.002","90","","7222.6","1.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2","","","- C72 H109 Fe2 N6 O2 S -","- C72 H109 Fe2 N6 O2 S -","- C288 H436 Fe8 N24 O8 S4 -","4","1","","Javier Vela; Sebastian Stoian; Christine J. Flaschenriem; Eckard Münck; Patrick L. Holland","A Sulfido-Bridged Diiron(II) Compound and Its Reactions with Nitrogenase-Relevant Substrates","Journal of the American Chemical Society","2004","126","","4522","4523","10.1021/ja049417l","","","0.71073","MoKα","","0.1679","0.0825","","","0.1838","0.219","","","","","","1.028","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112431","15.7269","0.0002","15.763","0.0002","38.0222","0.0005","90","","90","","90","","9425.8","0.2","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H62 Cl18 Cu4 N24 O -","- C72 H62 Cl18 Cu4 N24 O -","- C288 H248 Cl72 Cu16 N96 O4 -","4","1","","Serhiy Demeshko; Sebastian Dechert; Franc Meyer","Anion-π Interactions in a Carousel Copper(II)-Triazine Complex","Journal of the American Chemical Society","2004","126","","4508","4509","10.1021/ja049458h","","","0.71073","MoKα","","0.0566","0.0509","","","0.1241","0.1267","","","","","","1.081","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112432","8.5003","0.0006","14.3615","0.001","17.5727","0.0013","90","","90","","90","","2145.2","0.3","123","2","123","2","","","","","","","chemical synthesis","5","P n m a","-P 2ac 2n","62","","Potassium 18-crown-6 nitrobenzenide","","- C18 H29 K N O8 -","- C18 H29 K N O8 -","- C72 H116 K4 N4 O32 -","4","0.5","","Milya G. Davlieva; Jian-Ming Lü; Sergey V. Lindeman; Jay K. Kochi","Crystallographic Distinction between ""Contact"" and ""Separated"" Ion Pairs: Structural Effects on Electronic/ESR Spectra of Alkali-Metal Nitrobenzenides","Journal of the American Chemical Society","2004","126","","4557","4565","10.1021/ja049856k","","","0.71073","MoKα","","0.0659","0.048","","0.1494","0.1222","","","","1.064","1.081","1.081","","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112433","10.6","0.0005","7.6557","0.0004","26.779","0.0012","90","","97.338","0.001","90","","2155.33","0.18","123","2","123","2","","","","","","","chemical synthesis","5","P 1 21/n 1","-P 2yn","14","","Rubidium 18-crown-6 nitrobenzenide","","- C18 H29 N O8 Rb -","- C18 H29 N O8 Rb -","- C72 H116 N4 O32 Rb4 -","4","1","","Milya G. Davlieva; Jian-Ming Lü; Sergey V. Lindeman; Jay K. Kochi","Crystallographic Distinction between ""Contact"" and ""Separated"" Ion Pairs: Structural Effects on Electronic/ESR Spectra of Alkali-Metal Nitrobenzenides","Journal of the American Chemical Society","2004","126","","4557","4565","10.1021/ja049856k","","","0.71073","MoKα","","0.054","0.0355","","0.0943","0.0801","","","","1.027","1.067","1.067","","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112434","26.22","0.002","8.3768","0.0005","22.3046","0.0013","90","","108.334","0.001","90","","4650.3","0.5","123","2","123","2","","","","","","","chemical synthesis","5","C 1 2/c 1","-C 2yc","15","","Bis(cesium 18-crown-6 nitrobenzenide)","","- C18 H29 Cs N O8 -","- C18 H29 Cs N O8 -","- C144 H232 Cs8 N8 O64 -","8","1","","Milya G. Davlieva; Jian-Ming Lü; Sergey V. Lindeman; Jay K. Kochi","Crystallographic Distinction between ""Contact"" and ""Separated"" Ion Pairs: Structural Effects on Electronic/ESR Spectra of Alkali-Metal Nitrobenzenides","Journal of the American Chemical Society","2004","126","","4557","4565","10.1021/ja049856k","","","0.71073","MoKα","","0.108","0.0518","","0.1372","0.1085","","","","1.006","1.087","1.087","","","","","has coordinates","270822","2021-11-23","08:35:57",""
"4112435","8.5177","0.0005","12.4319","0.0007","26.1918","0.0014","99.078","0.001","93.002","0.001","102.619","0.001","2661.7","0.3","123","2","123","2","","","","","","","chemical synthesis","5","P -1","-P 1","2","","Bis(cesium 18-crown-6 nitrobenzenide) tetrahydrofurane disolvate","","- C44 H74 Cs2 N2 O18 -","- C44 H74 Cs2 N2 O18 -","- C88 H148 Cs4 N4 O36 -","2","1","","Milya G. Davlieva; Jian-Ming Lü; Sergey V. Lindeman; Jay K. Kochi","Crystallographic Distinction between ""Contact"" and ""Separated"" Ion Pairs: Structural Effects on Electronic/ESR Spectra of Alkali-Metal Nitrobenzenides","Journal of the American Chemical Society","2004","126","","4557","4565","10.1021/ja049856k","","","0.71073","MoKα","","0.055","0.0399","","0.1053","0.096","","","","1.026","1.077","1.077","","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112436","15.7997","0.0008","10.113","0.0005","17.4795","0.0009","90","","98.022","0.001","90","","2765.6","0.2","123","2","123","2","","","","","","","chemical synthesis","5","P 1 2/n 1","-P 2yac","13","","Potassium [2.2.2]cryptand nitrobenzenide","","- C24 H41 K N3 O8 -","- C24 H41 K N3 O8 -","- C96 H164 K4 N12 O32 -","4","1","","Milya G. Davlieva; Jian-Ming Lü; Sergey V. Lindeman; Jay K. Kochi","Crystallographic Distinction between ""Contact"" and ""Separated"" Ion Pairs: Structural Effects on Electronic/ESR Spectra of Alkali-Metal Nitrobenzenides","Journal of the American Chemical Society","2004","126","","4557","4565","10.1021/ja049856k","","","0.71073","MoKα","","0.0435","0.0389","","0.1129","0.1042","","","","1.025","1.046","1.046","","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112437","13.083","0.0007","13.318","0.0004","22.207","0.001","89.659","0.003","88.87","0.002","61.283","0.003","3392.7","0.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","Bis[bis(tetrahydrofuran)potassium(I)] tetrakis(di-tert-butylmethylsilyl)- tetrasilacyclobutadiene dianion","","- C52 H116 K2 O4 Si8 -","- C52 H116 K2 O4 Si8 -","- C104 H232 K4 O8 Si16 -","2","1","","Vladimir Ya. Lee; Kazunori Takanashi; Tadahiro Matsuno; Masaaki Ichinohe; Akira Sekiguchi","Cyclobutadiene Dianions Consisting of Heavier Group 14 Elements: Synthesis and Characterization","Journal of the American Chemical Society","2004","126","","4758","4759","10.1021/ja030662z","","","0.7107","MoKα","","0.0607","0.0532","","","0.1472","0.1535","","","","","","1.018","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112438","21.52","0.02","11.188","0.011","13.016","0.012","90","","98.308","0.017","90","","3101","5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H42 O4 Zr -","- C34 H42 O4 Zr -","- C136 H168 O16 Zr4 -","4","0.5","","Andrew D. Bolig; Eugene Y.-X. Chen","ansa-Zirconocene Ester Enolates: Synthesis, Structure, Reaction with Organo-Lewis Acids, and Application to Polymerization of Methacrylates","Journal of the American Chemical Society","2004","126","","4897","4906","10.1021/ja031558k","","","0.71073","MoKα","","0.0857","0.0721","","","0.1659","0.1741","","","","","","1.133","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112439","27.806","0.004","17.103","0.002","20.876","0.003","90","","122.463","0.003","90","","8377","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H40 Al F15 O2 Zr -","- C48 H26 Al F15 O2 Zr -","- C384 H208 Al8 F120 O16 Zr8 -","8","1","","Andrew D. Bolig; Eugene Y.-X. Chen","ansa-Zirconocene Ester Enolates: Synthesis, Structure, Reaction with Organo-Lewis Acids, and Application to Polymerization of Methacrylates","Journal of the American Chemical Society","2004","126","","4897","4906","10.1021/ja031558k","","","0.71073","MoKα","","0.0848","0.0482","","","0.1112","0.129","","","","","","1.014","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112440","11.888","0.002","11.705","0.002","14.454","0.003","90","","108.38","0.03","90","","1908.7","0.7","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 Pt -","- C24 H16 N2 Pt -","- C96 H64 N8 Pt4 -","4","1","","Wei Lu; Bao-Xiu Mi; Michael C. W. Chan; Zheng Hui; Chi-Ming Che; Nianyong Zhu; Shuit-Tong Lee","Light-Emitting Tridentate Cyclometalated Platinum(II) Complexes Containing σ-Alkynyl Auxiliaries: Tuning of Photo- and Electrophosphorescence","Journal of the American Chemical Society","2004","126","","4958","4971","10.1021/ja0317776","","","0.71073","MoKα","","0.0348","0.0296","","","0.0758","0.0781","","","","","","1.068","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112441","11.088","0.002","9.964","0.002","17.186","0.003","90","","92.09","0.03","90","","1897.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H11 F5 N2 Pt -","- C24 H11 F5 N2 Pt -","- C96 H44 F20 N8 Pt4 -","4","1","","Wei Lu; Bao-Xiu Mi; Michael C. W. Chan; Zheng Hui; Chi-Ming Che; Nianyong Zhu; Shuit-Tong Lee","Light-Emitting Tridentate Cyclometalated Platinum(II) Complexes Containing σ-Alkynyl Auxiliaries: Tuning of Photo- and Electrophosphorescence","Journal of the American Chemical Society","2004","126","","4958","4971","10.1021/ja0317776","","","0.71069","MoKα","","0.0725","0.0682","","","0.1624","0.165","","","","","","1.055","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112442","11.903","0.002","12.626","0.002","13.205","0.002","90","","101.08","0.02","90","","1947.6","0.6","301.2","","301.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 Pt Si -","- C21 H20 N2 Pt Si -","- C84 H80 N8 Pt4 Si4 -","4","1","","Wei Lu; Bao-Xiu Mi; Michael C. W. Chan; Zheng Hui; Chi-Ming Che; Nianyong Zhu; Shuit-Tong Lee","Light-Emitting Tridentate Cyclometalated Platinum(II) Complexes Containing σ-Alkynyl Auxiliaries: Tuning of Photo- and Electrophosphorescence","Journal of the American Chemical Society","2004","126","","4958","4971","10.1021/ja0317776","","","0.7107","MoKalpha","","","0.0449","","","0.0622","","","","","1.466","1.466","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112443","14.684","0.003","11.146","0.002","12.828","0.003","90","","98.74","0.03","90","","2075.2","0.8","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 Pt Si -","- C23 H20 N2 Pt Si -","- C92 H80 N8 Pt4 Si4 -","4","1","","Wei Lu; Bao-Xiu Mi; Michael C. W. Chan; Zheng Hui; Chi-Ming Che; Nianyong Zhu; Shuit-Tong Lee","Light-Emitting Tridentate Cyclometalated Platinum(II) Complexes Containing σ-Alkynyl Auxiliaries: Tuning of Photo- and Electrophosphorescence","Journal of the American Chemical Society","2004","126","","4958","4971","10.1021/ja0317776","","","0.71073","MoKα","","0.0554","0.0384","","","0.0943","0.0992","","","","","","0.932","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112444","15.404","0.003","12.178","0.002","12.178","0.002","90","","97.34","0.03","90","","2265.7","0.7","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 Pt Si -","- C25 H20 N2 Pt Si -","- C100 H80 N8 Pt4 Si4 -","4","1","","Wei Lu; Bao-Xiu Mi; Michael C. W. Chan; Zheng Hui; Chi-Ming Che; Nianyong Zhu; Shuit-Tong Lee","Light-Emitting Tridentate Cyclometalated Platinum(II) Complexes Containing σ-Alkynyl Auxiliaries: Tuning of Photo- and Electrophosphorescence","Journal of the American Chemical Society","2004","126","","4958","4971","10.1021/ja0317776","","","0.71073","MoKα","","0.0717","0.041","","","0.0953","0.1109","","","","","","1.006","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112445","13.148","0.003","13.946","0.003","15.706","0.003","87.86","0.03","66.68","0.03","81.96","0.03","2618.1","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Cu2L5(CN)](ClO4)3.2CH3CN.4H2O","","","- C41 H68 Cl3 Cu2 N11 O16 -","- C41 H51 Cl3 Cu2 N11 O16 -","- C82 H102 Cl6 Cu4 N22 O32 -","2","1","","Tongbu Lu; Xiaomei Zhuang; Yanwu Li; Shi Chen","C-C Bond Cleavage of Acetonitrile by a Dinuclear Copper(II) Cryptate","Journal of the American Chemical Society","2004","126","","4760","4761","10.1021/ja031874z","","","0.71073","MoKα","","0.0849","0.0526","","","0.1327","0.1427","","","","","","1.081","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112446","27.388","0.007","48.097","0.013","7.307","0.002","90","","90","","90","","9625","4","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","[Me2NN]Co(toluene)","","","- C28 H33 Co N2 -","- C28 H33 Co N2 -","- C448 H528 Co16 N32 -","16","1","","Xuliang Dai; Pooja Kapoor; Timothy H. Warren","[Me2NN]Co(η6-toluene): OO, NN, and ON Bond Cleavage Provides β-Diketiminato Cobalt μ-Oxo and Imido Complexes","Journal of the American Chemical Society","2004","126","","4798","4799","10.1021/ja036308i","","","0.71073","MoKα","","0.0997","0.0498","","","0.0684","0.0766","","","","","","0.872","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112447","20.74","0.03","8.495","0.013","23.318","0.017","90","","108.55","0.06","90","","3895","9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{[Me2NN]Co}2(m-O)2","","","- C21 H25 Co N2 O -","- C21 H25 Co N2 O -","- C168 H200 Co8 N16 O8 -","8","1","","Xuliang Dai; Pooja Kapoor; Timothy H. Warren","[Me2NN]Co(η6-toluene): OO, NN, and ON Bond Cleavage Provides β-Diketiminato Cobalt μ-Oxo and Imido Complexes","Journal of the American Chemical Society","2004","126","","4798","4799","10.1021/ja036308i","","","0.71073","MoKα","","0.098","0.0537","","","0.1257","0.1416","","","","","","1.022","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112448","11.081","0.003","11.487","0.003","11.586","0.003","99.587","0.004","103.088","0.004","111.907","0.004","1280.3","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","{[Me2NN]Co}2(m-NAr)2","","","- C29 H34 Co N3 -","- C29 H34 Co N3 -","- C58 H68 Co2 N6 -","2","1","","Xuliang Dai; Pooja Kapoor; Timothy H. Warren","[Me2NN]Co(η6-toluene): OO, NN, and ON Bond Cleavage Provides β-Diketiminato Cobalt μ-Oxo and Imido Complexes","Journal of the American Chemical Society","2004","126","","4798","4799","10.1021/ja036308i","","","0.71073","MoKα","","0.1172","0.0577","","","0.1326","0.1459","","","","","","0.874","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112449","7.2103","0.0014","18.185","0.004","20.516","0.004","90","","90","","90","","2690","0.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","{Me2NN]Co=NAd","","","- C31 H40 Co N3 -","- C31 H40 Co N3 -","- C124 H160 Co4 N12 -","4","1","","Xuliang Dai; Pooja Kapoor; Timothy H. Warren","[Me2NN]Co(η6-toluene): OO, NN, and ON Bond Cleavage Provides β-Diketiminato Cobalt μ-Oxo and Imido Complexes","Journal of the American Chemical Society","2004","126","","4798","4799","10.1021/ja036308i","","","0.71073","MoKα","","0.129","0.0494","","","0.074","0.0874","","","","","","0.821","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112450","10.78","0.0015","21.782","0.003","19.294","0.003","90","","90.198","0.005","90","","4530.4","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{Me2NN]Co}2(m-O)(m-NAr)","","","- C50 H59 Co2 N5 O -","- C50 H59 Co2 N5 O -","- C200 H236 Co8 N20 O4 -","4","1","","Xuliang Dai; Pooja Kapoor; Timothy H. Warren","[Me2NN]Co(η6-toluene): OO, NN, and ON Bond Cleavage Provides β-Diketiminato Cobalt μ-Oxo and Imido Complexes","Journal of the American Chemical Society","2004","126","","4798","4799","10.1021/ja036308i","","","0.71073","MoKα","","0.0835","0.0462","","","0.115","0.1266","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112451","13.038","0.001","16.812","0.001","22.199","0.002","90","","90","","90","","4865.9","0.6","200","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50 H19 Cl2 F20 I O2 P2 Ru -","- C50 H19 Cl2 F20 I O2 P2 Ru -","- C200 H76 Cl8 F80 I4 O8 P8 Ru4 -","4","1","","Valérie Alezra; Gérald Bernardinelli; Clémence Corminboeuf; Urban Frey; E. Peter Kündig; André E. Merbach; Christophe M. Saudan; Florian Viton; Jacques Weber","[CpRu((R)-Binop-F)(H2O)][SbF6], a New Fluxional Chiral Lewis Acid Catalyst: Synthesis, Dynamic NMR, Asymmetric Catalysis, and Theoretical Studies","Journal of the American Chemical Society","2004","126","","4843","4853","10.1021/ja0374123","","","1.5418","CuKα","","","0.043","","","","0.042","","","","","","1.81","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112452","13.4024","0.0007","19.3137","0.001","24.1839","0.0015","90","","90","","90","","6260","0.6","200","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C56 H33 F26 O4 P2 Ru Sb -","- C56 H33 F26 O4 P2 Ru Sb -","- C224 H132 F104 O16 P8 Ru4 Sb4 -","4","1","","Valérie Alezra; Gérald Bernardinelli; Clémence Corminboeuf; Urban Frey; E. Peter Kündig; André E. Merbach; Christophe M. Saudan; Florian Viton; Jacques Weber","[CpRu((R)-Binop-F)(H2O)][SbF6], a New Fluxional Chiral Lewis Acid Catalyst: Synthesis, Dynamic NMR, Asymmetric Catalysis, and Theoretical Studies","Journal of the American Chemical Society","2004","126","","4843","4853","10.1021/ja0374123","","","0.71073","MoKα","","","0.042","","","","0.047","","","","","","1.62","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112453","20.065","0.011","5.741","0.003","7.394","0.004","90","","96.042","0.01","90","","847","0.8","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H10 F N O4 -","- C8 H10 F N O4 -","- C32 H40 F4 N4 O16 -","4","1","","Jiangli Yan; Frank Delaglio; Andreas Kaerner; Allen D. Kline; Huaping Mo; Michael J. Shapiro; Tim A. Smitka; Gregory A. Stephenson; Edward R. Zartler","Complete Relative Stereochemistry of Multiple Stereocenters Using Only Residual Dipolar Couplings","Journal of the American Chemical Society","2004","126","","5008","5017","10.1021/ja037605q","","","0.71073","MoKα","","0.0913","0.0462","","","0.0641","0.0708","","","","","","0.818","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112454","8.577","0.002","9.026","0.002","16.026","0.004","94.218","0.005","96.824","0.004","96.319","0.005","1219.7","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 Cl6 N6 O12 Rh2 S2 -","- C40 H44 Cl6 N6 O12 Rh2 S2 -","- C40 H44 Cl6 N6 O12 Rh2 S2 -","1","0.5","","Scott A. Hilderbrand; Mi Hee Lim; Stephen J. Lippard","Dirhodium Tetracarboxylate Scaffolds as Reversible Fluorescence-Based Nitric Oxide Sensors","Journal of the American Chemical Society","2004","126","","4972","4978","10.1021/ja038471j","","","0.71073","MoKα","","0.0671","0.0456","","","0.1045","0.1215","","","","","","1","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112455","11.387","0.002","16.431","0.003","12.395","0.002","90","","101.224","0.003","90","","2274.7","0.7","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 N6 O12 Rh2 S2 -","- C40 H54 N6 O12 Rh2 S2 -","- C80 H108 N12 O24 Rh4 S4 -","2","0.5","","Scott A. Hilderbrand; Mi Hee Lim; Stephen J. Lippard","Dirhodium Tetracarboxylate Scaffolds as Reversible Fluorescence-Based Nitric Oxide Sensors","Journal of the American Chemical Society","2004","126","","4972","4978","10.1021/ja038471j","","","0.71073","MoKα","","0.1471","0.0799","","","0.0967","0.1127","","","","","","0.954","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112456","8.142","0.002","11.575","0.003","9.2779","0.0017","90","","123.867","0.015","90","","726","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N2 O10 Rh2 -","- C8 H12 N2 O10 Rh2 -","- C16 H24 N4 O20 Rh4 -","2","0.5","","Scott A. Hilderbrand; Mi Hee Lim; Stephen J. Lippard","Dirhodium Tetracarboxylate Scaffolds as Reversible Fluorescence-Based Nitric Oxide Sensors","Journal of the American Chemical Society","2004","126","","4972","4978","10.1021/ja038471j","","","0.71073","MoKα","","0.0336","0.027","","","0.0528","0.0548","","","","","","1.134","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112457","8.156","0.003","13.112","0.005","9.576","0.004","90","","112.16","0.006","90","","948.4","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N2 O10 Rh2 -","- C12 H20 N2 O10 Rh2 -","- C24 H40 N4 O20 Rh4 -","2","0.5","","Scott A. Hilderbrand; Mi Hee Lim; Stephen J. Lippard","Dirhodium Tetracarboxylate Scaffolds as Reversible Fluorescence-Based Nitric Oxide Sensors","Journal of the American Chemical Society","2004","126","","4972","4978","10.1021/ja038471j","","","0.71073","MoKα","","0.0258","0.025","","","0.0651","0.0659","","","","","","1.142","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112458","8.44","0.003","10.463","0.003","14.299","0.004","105.432","0.014","106.84","0.02","96.004","0.018","1142.2","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 N2 O10 Rh2 -","- C16 H28 N2 O10 Rh2 -","- C32 H56 N4 O20 Rh4 -","2","1","","Scott A. Hilderbrand; Mi Hee Lim; Stephen J. Lippard","Dirhodium Tetracarboxylate Scaffolds as Reversible Fluorescence-Based Nitric Oxide Sensors","Journal of the American Chemical Society","2004","126","","4972","4978","10.1021/ja038471j","","","0.71073","MoKα","","0.0516","0.0342","","","0.0718","0.0772","","","","","","0.988","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112459","10.8741","0.0011","11.9789","0.0012","13.343","0.0014","90","","90","","90","","1738.1","0.3","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[(bpb)Fe(NO)(NO2)]","","","- C18 H12 Fe N6 O5 -","- C18 H12 Fe N6 O5 -","- C72 H48 Fe4 N24 O20 -","4","1","","Apurba K. Patra; Michael J. Rose; Marilyn M. Olmstead; Pradip K. Mascharak","Reactions of Nitric Oxide with a Low-Spin Fe(III) Center Ligated to a Tetradentate Dicarboxamide N4 Ligand: Parallels between Heme and Non-heme Systems","Journal of the American Chemical Society","2004","126","","4780","4781","10.1021/ja040015n","","","0.71073","MoKα","","0.0532","0.0351","","","0.0731","0.081","","","","","","1.007","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112460","7.1171","0.0008","12.5532","0.0013","8.9138","0.001","90","","94.076","0.004","90","","794.37","0.15","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","[(bpb)Fe(NO)]","","","- C18 H12 Fe N5 O3 -","- C18 H12 Fe N5 O3 -","- C36 H24 Fe2 N10 O6 -","2","1","","Apurba K. Patra; Michael J. Rose; Marilyn M. Olmstead; Pradip K. Mascharak","Reactions of Nitric Oxide with a Low-Spin Fe(III) Center Ligated to a Tetradentate Dicarboxamide N4 Ligand: Parallels between Heme and Non-heme Systems","Journal of the American Chemical Society","2004","126","","4780","4781","10.1021/ja040015n","","","0.71073","MoKα","","0.0235","0.0224","","","0.0592","0.0598","","","","","","1.027","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112461","20.846","0.004","8.1866","0.0017","26.808","0.006","90","","92.208","0.004","90","","4571.6","1.6","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(bpb-NO2)(NO3)(DMF)]","","","- C21 H18 Fe N7 O8 -","- C21 H18 Fe N7 O8 -","- C168 H144 Fe8 N56 O64 -","8","1","","Apurba K. Patra; Michael J. Rose; Marilyn M. Olmstead; Pradip K. Mascharak","Reactions of Nitric Oxide with a Low-Spin Fe(III) Center Ligated to a Tetradentate Dicarboxamide N4 Ligand: Parallels between Heme and Non-heme Systems","Journal of the American Chemical Society","2004","126","","4780","4781","10.1021/ja040015n","","","0.71073","MoKα","","0.1014","0.0585","","","0.1672","0.1889","","","","","","1.043","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112462","17.826","0.002","17.826","0.002","6.193","0.002","90","","90","","120","","1704.3","0.6","100","","100","","","","","","","","","4","P 32","P 32","145","","(R)-2-Chloro-3,3dimethyl-butan-1-ol","","- C6 H13 Cl O -","- C6 H13 Cl O -","- C54 H117 Cl9 O9 -","9","3","","Nis Halland; Alan Braunton; Stephan Bachmann; Mauro Marigo; Karl Anker Jørgensen","direct Organocatalytic Asymmetric α-Chlorination of Aldehydes","Journal of the American Chemical Society","2004","126","","4790","4791","10.1021/ja049231m","","","0.71073","MoKα","","","0.103","","","","0.128","","","","","","1.99","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112463","7.055","0.002","15.043","0.005","17.448","0.006","90","","90","","90","","1851.7","1","123.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O6 S -","- C19 H25 N O6 S -","- C76 H100 N4 O24 S4 -","4","1","","Masaki Kita; Mikiko Kondo; Tomoyuki Koyama; Kaoru Yamada; Tsuyosi Matsumoto; Kun-Hyung Lee; Je-Tae Woo; Daisuke Uemura","Symbioimine Exhibiting Inhibitory Effect of Osteoclast Differentiation, from the Symbiotic Marine Dinoflagellate Symbiodinium sp.","Journal of the American Chemical Society","2004","126","","4794","4795","10.1021/ja049277f","","","0.7107","MoKα","","","0.0607","","","","0.0829","","","","","","0.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112464","7.995","0.005","9.113","0.006","30.058","0.019","90","","90","","90","","2190","2","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 Br O3 Si -","- C21 H33 Br O3 Si -","- C84 H132 Br4 O12 Si4 -","4","1","","Do Hyun Ryu; Gang Zhou; E. J. Corey","Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules","Journal of the American Chemical Society","2004","126","","4800","4802","10.1021/ja049323b","","","0.71073","MoKα","","0.0707","0.0605","","","0.1048","0.1076","","","","","","1.196","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112465","9.023","0.003","9.848","0.003","12.297","0.004","86.474","0.005","85.994","0.005","86.697","0.005","1086.4","0.6","213","2","213","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H22 Br O4 -","- C25 H22 Br O4 -","- C50 H44 Br2 O8 -","2","2","","Do Hyun Ryu; Gang Zhou; E. J. Corey","Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules","Journal of the American Chemical Society","2004","126","","4800","4802","10.1021/ja049323b","","","0.71073","MoKα","","0.0954","0.0515","","","0.1071","0.124","","","","","","1.036","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112466","6.6219","0.0011","10.9783","0.0018","14.434","0.002","90","","90","","90","","1049.3","0.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br O3 -","- C11 H11 Br O3 -","- C44 H44 Br4 O12 -","4","1","","Do Hyun Ryu; Gang Zhou; E. J. Corey","Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules","Journal of the American Chemical Society","2004","126","","4800","4802","10.1021/ja049323b","","","0.71073","MoKα","","0.0324","0.0267","","","0.0542","0.0571","","","","","","1.023","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112467","8.6784","0.0011","12.7229","0.0019","33.26","0.005","90","","90","","90","","3672.4","0.9","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19.5 Br O4.25 -","- C18 H19.5 Br O4.25 -","- C144 H156 Br8 O34 -","8","2","","Do Hyun Ryu; Gang Zhou; E. J. Corey","Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules","Journal of the American Chemical Society","2004","126","","4800","4802","10.1021/ja049323b","","","0.71073","MoKα","","0.1941","0.061","","","0.118","0.1356","","","","","","0.986","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112468","6.8313","0.0016","14.053","0.004","17.472","0.004","90","","90","","90","","1677.3","0.7","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br O5 -","- C18 H17 Br O5 -","- C72 H68 Br4 O20 -","4","1","","Do Hyun Ryu; Gang Zhou; E. J. Corey","Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules","Journal of the American Chemical Society","2004","126","","4800","4802","10.1021/ja049323b","","","0.71073","MoKα","","0.0442","0.0323","","","0.0573","0.0587","","","","","","1.041","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112469","21.503","0.0001","25.489","0.0001","21.825","0.0001","90","","103.3","","90","","11641.2","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82.5 H206 B22 P6 Rh6 -","- C82.5 H206 B22 P6 Rh6 -","- C330 H824 B88 P24 Rh24 -","4","1","","Michael J. Ingleson; Mary F. Mahon; Paul R. Raithby; Andrew S. Weller","[(iPr3P)6Rh6H12]2+: A High-Hydride Content Octahedron that Bridges the Gap between Late and Early Transition Metal Clusters","Journal of the American Chemical Society","2004","126","","4784","4785","10.1021/ja049402n","","","0.71073","MoKα","","0.0832","0.048","","","0.1007","0.1163","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112470","13.337","0.0001","17.418","0.0002","17.832","0.0002","73.225","0.001","68.281","0.001","88.46","0.001","3669.7","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H167 B2 F48 P6 Rh6 -","- C124 H164 B2 F49 P6 Rh6 -","- C124 H164 B2 F49 P6 Rh6 -","1","0.5","","Michael J. Ingleson; Mary F. Mahon; Paul R. Raithby; Andrew S. Weller","[(iPr3P)6Rh6H12]2+: A High-Hydride Content Octahedron that Bridges the Gap between Late and Early Transition Metal Clusters","Journal of the American Chemical Society","2004","126","","4784","4785","10.1021/ja049402n","","","0.71073","MoKα","","0.0477","0.0351","","","0.0866","0.0948","","","","","","1.027","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112471","13.376","0.004","13.626","0.006","32.675","0.011","90","","90","","90","","5955","4","294","","294","","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42.29 Cl N P2 Rh -","- C27 H42.295 Cl N P2 Rh -","- C216 H338.36 Cl8 N8 P16 Rh8 -","8","2","","Oleg V. Ozerov; Chengyun Guo; Vyacheslav A. Papkov; Bruce M. Foxman","Facile Oxidative Addition of N-C and N-H Bonds to Monovalent Rhodium and Iridium","Journal of the American Chemical Society","2004","126","","4792","4793","10.1021/ja049659l","","","0.71073","MoKα","","0.0955","0.0584","","0.1145","0.0609","0.0609","","","","","","1.1445","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112472","13.339","0.002","13.873","0.002","32.296","0.006","90","","90","","90","","5976.4","1.7","294","","294","","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H86 Cl2 N2 P4 Rh2 -","- C54 H83 Cl2 N2 P4 Rh2 -","- C216 H332 Cl8 N8 P16 Rh8 -","4","1","","Oleg V. Ozerov; Chengyun Guo; Vyacheslav A. Papkov; Bruce M. Foxman","Facile Oxidative Addition of N-C and N-H Bonds to Monovalent Rhodium and Iridium","Journal of the American Chemical Society","2004","126","","4792","4793","10.1021/ja049659l","","","0.71073","MoKα","","0.2245","0.0888","","0.1332","0.0497","0.0497","","","","","","1.1685","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112473","7.247","0.002","14.983","0.005","22.489","0.007","90","","90.905","0.003","90","","2441.6","1.3","293.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Mn1.5 N12 O3 W -","- C16 H12 Mn1.5 N12 O3 W -","- C64 H48 Mn6 N48 O12 W4 -","4","1","","Toshinori Kashiwagi; Shin-ichi Ohkoshi; Hidetake Seino; Yasushi Mizobe; Kazuhito Hashimoto","Manganese(II) Octacyanotungstate(V)-Based Magnet Containing a Noncoordinated Aromatic Molecule","Journal of the American Chemical Society","2004","126","","5024","5025","10.1021/ja030648m","","","0.7107","MoKα","","","0.026","","","","0.073","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112474","43.91","0.007","43.91","0.007","19.208","0.007","90","","90","","120","","32073","14","130","2","130","2","","","","","","","","3","R -3 :H","-R 3","148","[Dipp*Ge(PhC=CPh)GeDipp*].1.5n-hexane.0.17methylcyclopentane","","","- C84 H107.38 Ge2 -","- C83.9933 H84 Ge2 -","- C1511.88 H1512 Ge36 -","18","1","","Chunming Cui; Marilyn M. Olmstead; Philip P. Power","Reactivity of Ar'GeGeAr' (Ar' = C6H3-2,6-Dipp2, Dipp = C6H3-2,6-iPr2) toward Alkynes: Isolation of a Stable Digermacyclobutadiene","Journal of the American Chemical Society","2004","126","","5062","5063","10.1021/ja0318481","","","1.54178","CuKα","","0.0767","0.0586","","","0.1565","0.1705","","","","","","1.044","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112475","33.299","0.008","13.209","0.003","38.495","0.013","90","","104.211","0.006","90","","16414","8","91","2","91","2","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C71.25 H97 Ge2 Si2 -","- C71.25 H97 Ge2 Si2 -","- C570 H776 Ge16 Si16 -","8","2","","Chunming Cui; Marilyn M. Olmstead; Philip P. Power","Reactivity of Ar'GeGeAr' (Ar' = C6H3-2,6-Dipp2, Dipp = C6H3-2,6-iPr2) toward Alkynes: Isolation of a Stable Digermacyclobutadiene","Journal of the American Chemical Society","2004","126","","5062","5063","10.1021/ja0318481","","","0.71073","MoKα","","0.09","0.0713","","","0.2209","0.238","","","","","","1.061","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112476","10.6383","0.0011","10.934","0.0011","24.98","0.003","91.598","0.002","101.624","0.002","101.257","0.002","2784.5","0.5","183","2","193","2","","","","","","","","4","P -1","-P 1","2","(1-AdNC)2Mo(N[iPr]Ar)3","","","- C60 H90 Mo N5 -","- C60 H90 Mo N5 -","- C120 H180 Mo2 N10 -","2","1","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.1238","0.1077","","","0.2495","0.2566","","","","","","1.219","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112477","15.135","0.0014","13.5623","0.0012","19.6178","0.0018","90","","91.172","0.001","90","","4026","0.6","193","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(tBuNC)Mo(N[tBu]Ar)3","","","- C41 H63 Mo N4 -","- C41 H63 Mo N4 -","- C164 H252 Mo4 N16 -","4","1","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.0754","0.0647","","","0.1563","0.1605","","","","","","1.143","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112478","15.2586","0.0006","16.2472","0.0006","22.7817","0.0009","90","","102.892","0.001","90","","5505.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H60 O14 P2 Pd2 Ru6 -","- C45 H60 O14 P2 Pd2 Ru6 -","- C180 H240 O56 P8 Pd8 Ru24 -","4","1","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.0752","0.0462","","","0.0937","0.1044","","","","","","1.002","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112479","18.187","0.0005","19.6886","0.0006","31.119","0.0009","90","","95.031","0.001","90","","11100.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 O17 P2 Pt2 Ru6 -","- C42 H54 O17 P2 Pt2 Ru6 -","- C336 H432 O136 P16 Pt16 Ru48 -","8","2","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.0773","0.0435","","","0.0669","0.076","","","","","","0.964","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112480","12.2489","0.0005","19.8587","0.0008","16.457","0.0006","90","","90","","90","","4003.1","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H27 O17 P Pt Ru6 -","- C30 H27 O17 P Pt Ru6 -","- C120 H108 O68 P4 Pt4 Ru24 -","4","1","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.0417","0.0351","","","0.059","0.0614","","","","","","1.035","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112481","15.1983","0.0011","19.7491","0.0015","35.841","0.003","90","","90","","90","","10757.8","1.4","190","2","190","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H54 O17 P2 Pd2 Ru6 -","- C42 H54 O17 P2 Pd2 Ru6 -","- C336 H432 O136 P16 Pd16 Ru48 -","8","2","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.0329","0.0296","","","0.0559","0.0567","","","","","","0.951","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112482","8.9793","0.0009","13.7655","0.0014","17.1762","0.0018","77.464","0.002","88.967","0.002","81.998","0.002","2052.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H33 O14 P Pd Ru6 -","- C33 H33 O14 P Pd Ru6 -","- C66 H66 O28 P2 Pd2 Ru12 -","2","1","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.0732","0.0496","","","0.1061","0.1215","","","","","","1.06","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112483","17.972","0.0008","8.4","0.0003","28.315","0.0012","90","","113.307","0.0016","90","","3925.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound (1)","","","- C28 H39 Cl3 Cu N8 O17 -","- C28 H39 Cl3 Cu N8 O17 -","- C112 H156 Cl12 Cu4 N32 O68 -","4","1","","Enrique García-España; Pablo Gaviña; Julio Latorre; Conxa Soriano; Begoña Verdejo","CO2 Fixation by Copper(II) Complexes of a Terpyridinophane Aza Receptor","Journal of the American Chemical Society","2004","126","","5082","5083","10.1021/ja039577h","","","1.54184","CuKα","","0.1309","0.0776","","","0.1904","0.2152","","","","","","1.332","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112484","15.782","0.0007","13.297","0.0006","21.129","0.0012","90","","94.314","0.0016","90","","4421.4","0.4","150","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","Compound (2)","","","- C28 H49 Cl4 Cu2 N8 O23.5 -","- C28 H37 Cl4 Cu2 N8 O23.5 -","- C112 H148 Cl16 Cu8 N32 O94 -","4","2","","Enrique García-España; Pablo Gaviña; Julio Latorre; Conxa Soriano; Begoña Verdejo","CO2 Fixation by Copper(II) Complexes of a Terpyridinophane Aza Receptor","Journal of the American Chemical Society","2004","126","","5082","5083","10.1021/ja039577h","","","0.71073","MoKα","","0.1259","0.0749","","","0.1775","0.2152","","","","","","1.191","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112485","3.6647","0.0007","24.225","0.005","7.606","0.0015","90","","95.45","0.03","90","","672.2","0.2","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 K N O3 -","- C6 H4 K N O3 -","- C24 H16 K4 N4 O12 -","4","1","","Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky","Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters","Journal of the American Chemical Society","2004","126","","5213","5218","10.1021/ja0396044","","","0.71073","MoKa","","0.0301","0.0252","","0.0693","0.0648","","","","1.097","1.102","1.102","","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112486","12.13","0.002","20.632","0.004","25.974","0.005","102.96","0.03","94.34","0.03","94.77","0.03","6283","2","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H96 Er4 K4 N16 O52 -","- C112 H96 Er4 K4 N16 O52 -","- C224 H192 Er8 K8 N32 O104 -","2","1","","Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky","Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters","Journal of the American Chemical Society","2004","126","","5213","5218","10.1021/ja0396044","","","0.71073","MoKα","","0.0708","0.0447","","","0.1077","0.1152","","","","","","0.904","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112487","19.322","0.003","19.322","0.003","33.829","0.007","90","","90","","90","","12630","4","203","2","203","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C176 H178 N24 O98 Tm14 -","- C176 H112 N24 O95.6 Tm14 -","- C352 H224 N48 O191.2 Tm28 -","2","0.125","","Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky","Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters","Journal of the American Chemical Society","2004","126","","5213","5218","10.1021/ja0396044","","","0.71073","MoKa","","0.0672","0.0521","","0.1894","0.1472","","","","1.068","1.074","1.074","","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112488","18.943","0.004","7.762","0.0016","22.637","0.005","90","","99.98","0.03","90","","3278.1","1.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 K2 N5 O15 Tb -","- C30 H20 K2 N5 O15 Tb -","- C120 H80 K8 N20 O60 Tb4 -","4","1","","Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky","Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters","Journal of the American Chemical Society","2004","126","","5213","5218","10.1021/ja0396044","","","0.71073","MoKα","","0.1007","0.0592","","","0.1352","0.1473","","","","","","0.873","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112489","14.693","0.003","18.214","0.008","15.094","0.006","90","","118.97","0.03","90","","3534","2","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H25 K2 N5 O15 Sm -","- C32.5 H25 K2 N5 O15 Sm -","- C130 H100 K8 N20 O60 Sm4 -","4","1","","Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky","Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters","Journal of the American Chemical Society","2004","126","","5213","5218","10.1021/ja0396044","","","0.56087","AgKα","","0.0788","0.0529","","","0.1324","0.1471","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112490","14.722","0.004","18.265","0.011","15.108","0.006","90","0.6","119.1","0.03","90","0.6","3550","3","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H25 Eu K2 N5 O15 -","- C32.5 H25 Eu K2 N5 O15 -","- C130 H100 Eu4 K8 N20 O60 -","4","1","","Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky","Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters","Journal of the American Chemical Society","2004","126","","5213","5218","10.1021/ja0396044","","","0.56087","AgKα","","0.1133","0.0583","","","0.1167","0.1364","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112491","17.8808","0.0005","8.6468","0.0003","32.425","0.001","90","","89.324","0.001","90","","5012.9","0.3","150.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H35 Fe O2 P Si -","- C26 H35 Fe O2 P Si -","- C208 H280 Fe8 O16 P8 Si8 -","8","1","","Masaaki Okazaki; Kyeong A Jung; Kazuyuki Satoh; Hiroshi Okada; Junpei Naito; Tadahiro Akagi; Hiromi Tobita; Hiroshi Ogino","Phosphasilaferracyclopropane: An Activator of Small Molecules Having Polarized Single, Double, and Aromatic Unsaturated Bonds","Journal of the American Chemical Society","2004","126","","5060","5061","10.1021/ja039704+","","","0.7107","MoKα","","","0.0421","","","","0.1327","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112492","9.48","0.001","11.1441","0.0009","25.933","0.003","90","","96.806","0.003","90","","2720.4","0.5","150.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 Fe O2 P Si -","- C28 H37 Fe O2 P Si -","- C112 H148 Fe4 O8 P4 Si4 -","4","1","","Masaaki Okazaki; Kyeong A Jung; Kazuyuki Satoh; Hiroshi Okada; Junpei Naito; Tadahiro Akagi; Hiromi Tobita; Hiroshi Ogino","Phosphasilaferracyclopropane: An Activator of Small Molecules Having Polarized Single, Double, and Aromatic Unsaturated Bonds","Journal of the American Chemical Society","2004","126","","5060","5061","10.1021/ja039704+","","","0.7107","MoKα","","","0.0401","","","","0.1174","","","","","","1.133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112493","10.934","0.006","15.733","0.005","17.676","0.006","90","","91.16","0.04","90","","3040","2","423.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Fe N2 O P Si -","- C32 H41 Fe N2 O P Si -","- C128 H164 Fe4 N8 O4 P4 Si4 -","4","1","","Masaaki Okazaki; Kyeong A Jung; Kazuyuki Satoh; Hiroshi Okada; Junpei Naito; Tadahiro Akagi; Hiromi Tobita; Hiroshi Ogino","Phosphasilaferracyclopropane: An Activator of Small Molecules Having Polarized Single, Double, and Aromatic Unsaturated Bonds","Journal of the American Chemical Society","2004","126","","5060","5061","10.1021/ja039704+","","","0.7107","MoKα","","","0.0581","","","","0.0635","","","","","","1.671","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112494","20.029","0.005","21.508","0.005","21.244","0.005","90","","100.491","0.006","90","","8999","4","173.5","0.1","173.5","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H68 Cl2 N12 O4 Pt -","- C56 H68 Cl2 N12 O4 Pt -","- C336 H408 Cl12 N72 O24 Pt6 -","6","1.5","","Chantelle R. Bondy; Philip A. Gale; Stephen J. Loeb","Metal-Organic Anion Receptors: Arranging Urea Hydrogen-Bond Donors to Encapsulate Sulfate Ions","Journal of the American Chemical Society","2004","126","","5030","5031","10.1021/ja039712q","","","0.71073","MoKα","","0.1214","0.0655","","","0.1551","0.1784","","","","","","0.97","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112495","20.7","0.003","11.4505","0.0016","27.823","0.004","90","","96.944","0.003","90","","6546.4","1.6","173.5","0.1","173.5","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H82 N14 O11 Pt S -","- C62 H82 N14 O11 Pt S -","- C248 H328 N56 O44 Pt4 S4 -","4","1","","Chantelle R. Bondy; Philip A. Gale; Stephen J. Loeb","Metal-Organic Anion Receptors: Arranging Urea Hydrogen-Bond Donors to Encapsulate Sulfate Ions","Journal of the American Chemical Society","2004","126","","5030","5031","10.1021/ja039712q","","","0.71073","MoKα","","0.079","0.075","","","0.1629","0.1646","","","","","","1.197","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112496","24.229","0.0012","12.077","0.0005","24.573","0.0011","90","","104.763","0.003","90","","6953","0.6","120","2","120","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Tetrakis(tetrahydrofuran)lithium(I) 1,1,3,3-tetrakis- [di-tert-butyl(methyl)silyl]-1,3-disila-2-gallataallene","","- C58 H122 Ga Li O4 Si6 -","- C58 H122 Ga Li O4 Si6 -","- C232 H488 Ga4 Li4 O16 Si24 -","4","1","","Norio Nakata; Rika Izumi; Vladimir Ya. Lee; Masaaki Ichinohe; Akira Sekiguchi","1,3-Disila-2-gallata- and -indata allenic Anions [>SiMSi<]-.Li+ (M = Ga, In): Compounds Featuring Double Bonds between Elements of Groups 13 and 14","Journal of the American Chemical Society","2004","126","","5058","5059","10.1021/ja040001h","","","0.7107","MoKα","","0.1044","0.0564","","","0.1332","0.1516","","","","","","0.926","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112497","8.7934","0.0004","21.9625","0.0009","12.7233","0.0006","90","","97.497","0.001","90","","2436.18","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Mn Mo O8 S2 -","- C20 H19 Mn Mo O8 S2 -","- C80 H76 Mn4 Mo4 O32 S8 -","4","1","","Richard D. Adams; Shaobin Miao","Metal Carbonyl Derivatives of 1,4-Quinone and 1,4-Hydroquinone","Journal of the American Chemical Society","2004","126","","5056","5057","10.1021/ja049170s","","","0.71073","MoKα","","0.0314","0.0267","","","0.0637","0.0664","","","","","","1.025","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112498","8.287","0.003","20.037","0.008","10.151","0.004","90","","95.856","0.006","90","","1676.7","1.1","153.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 N2 O10 -","- C34 H48 N2 O10 -","- C68 H96 N4 O20 -","2","0.5","","Hidetoshi Kawai; Ryo Katoono; Kouki Nishimura; Shunsuke Matsuda; Kenshu Fujiwara; Takashi Tsuji; Takanori Suzuki","Positive Homotropic Allosteric Binding of Benzenediols in a Hydrindacene-Based Exoditopic Receptor: Cooperativity in Amide Hydrogen Bonding","Journal of the American Chemical Society","2004","126","","5034","5035","10.1021/ja049336p","","","0.7107","MoKα","","","0.0373","","","","0.0479","","","","","","1.244","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112499","8.337","0.003","19.963","0.007","15.75","0.006","90","","102.408","0.007","90","","2560.1","1.6","173.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64 H60 N2 O10 -","- C64 H60 N2 O10 -","- C128 H120 N4 O20 -","2","0.5","","Hidetoshi Kawai; Ryo Katoono; Kouki Nishimura; Shunsuke Matsuda; Kenshu Fujiwara; Takashi Tsuji; Takanori Suzuki","Positive Homotropic Allosteric Binding of Benzenediols in a Hydrindacene-Based Exoditopic Receptor: Cooperativity in Amide Hydrogen Bonding","Journal of the American Chemical Society","2004","126","","5034","5035","10.1021/ja049336p","","","0.7107","MoKα","","","0.051","","","","0.0602","","","","","","1.336","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112500","13.343","0.002","13.7657","0.0007","18.3825","0.0006","90","","111.508","0.0007","90","","3141.3","0.5","110.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76 H72 N2 O14 -","- C76 H72 N2 O14 -","- C152 H144 N4 O28 -","2","0.5","","Hidetoshi Kawai; Ryo Katoono; Kouki Nishimura; Shunsuke Matsuda; Kenshu Fujiwara; Takashi Tsuji; Takanori Suzuki","Positive Homotropic Allosteric Binding of Benzenediols in a Hydrindacene-Based Exoditopic Receptor: Cooperativity in Amide Hydrogen Bonding","Journal of the American Chemical Society","2004","126","","5034","5035","10.1021/ja049336p","","","0.7107","MoKα","","","0.0538","","","","0.0728","","","","","","1.561","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112501","11.4515","0.0009","12.187","0.001","12.55","0.001","85.201","0.003","79.058","0.002","69.252","0.001","1607.8","0.2","173.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C76 H72 N2 O14 -","- C76 H70 N2 O14 -","- C76 H70 N2 O14 -","1","0.5","","Hidetoshi Kawai; Ryo Katoono; Kouki Nishimura; Shunsuke Matsuda; Kenshu Fujiwara; Takashi Tsuji; Takanori Suzuki","Positive Homotropic Allosteric Binding of Benzenediols in a Hydrindacene-Based Exoditopic Receptor: Cooperativity in Amide Hydrogen Bonding","Journal of the American Chemical Society","2004","126","","5034","5035","10.1021/ja049336p","","","0.7107","MoKα","","","0.0553","","","","0.0772","","","","","","2.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112502","8.889","0.001","17.022","0.001","19.613","0.003","80.493","0.003","84.133","0.001","77.093","0.001","2846.3","0.6","123.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C67 H66 N2 O11 -","- C67 H66 N2 O11 -","- C134 H132 N4 O22 -","2","1","","Hidetoshi Kawai; Ryo Katoono; Kouki Nishimura; Shunsuke Matsuda; Kenshu Fujiwara; Takashi Tsuji; Takanori Suzuki","Positive Homotropic Allosteric Binding of Benzenediols in a Hydrindacene-Based Exoditopic Receptor: Cooperativity in Amide Hydrogen Bonding","Journal of the American Chemical Society","2004","126","","5034","5035","10.1021/ja049336p","","","0.7107","MoKα","","","0.0486","","","","0.0602","","","","","","1.607","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112503","9.4003","0.0006","11.846","0.0008","12.6971","0.0008","65.253","0.001","77.404","0.001","73.078","0.001","1220.9","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H40 Cl N4 Rh -","- C22 H40 Cl N4 Rh -","- C44 H80 Cl2 N8 Rh2 -","2","1","","Reto Dorta; Edwin D. Stevens; Steven P. Nolan","Double C-H Activation in a Rh-NHC Complex Leading to the Isolation of a 14-Electron Rh(III) Complex","Journal of the American Chemical Society","2004","126","","5054","5055","10.1021/ja049545+","","","0.71073","MoKα","","0.0453","0.0366","","","0.091","0.0947","","","","","","1.044","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112504","9.0969","0.0004","10.1843","0.0005","14.2497","0.0007","93.026","0.001","98.282","0.001","110.959","0.001","1212.17","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H38 Cl N4 Rh -","- C22 H38 Cl N4 Rh -","- C44 H76 Cl2 N8 Rh2 -","2","1","","Reto Dorta; Edwin D. Stevens; Steven P. Nolan","Double C-H Activation in a Rh-NHC Complex Leading to the Isolation of a 14-Electron Rh(III) Complex","Journal of the American Chemical Society","2004","126","","5054","5055","10.1021/ja049545+","","","0.71073","MoKα","","0.0218","0.0201","","","0.0459","0.0466","","","","","","1.057","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112505","15.5823","0.0008","21.0284","0.001","10.3295","0.0005","90","","128.636","0.001","90","","2643.9","0.2","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H38 F6 N4 P Rh -","- C22 H38 F6 N4 P Rh -","- C88 H152 F24 N16 P4 Rh4 -","4","1","","Reto Dorta; Edwin D. Stevens; Steven P. Nolan","Double C-H Activation in a Rh-NHC Complex Leading to the Isolation of a 14-Electron Rh(III) Complex","Journal of the American Chemical Society","2004","126","","5054","5055","10.1021/ja049545+","","","0.71073","MoKα","","0.0268","0.0231","","","0.0533","0.0547","","","","","","1.025","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112506","36.836","0.005","7.619","0.001","5.886","0.0008","90","","92.92","0.01","90","","1649.8","0.4","298.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Se2 -","- C22 H14 Se2 -","- C88 H56 Se8 -","4","1","","Kazuo Takimiya; Yoshihito Kunugi; Yasushi Konda; Naoto Niihara; Tetsuo Otsubo","2,6-Diphenylbenzo[1,2-b:4,5-b']dichalcogenophenes: A New Class of High-Performance Semiconductors for Organic Field-Effect Transistors","Journal of the American Chemical Society","2004","126","","5084","5085","10.1021/ja0496930","","","0.7107","MoKα","","","0.0708","","","","0.2445","","","","","","1.178","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112507","20.8588","0.0003","20.8678","0.0004","19.0273","0.0003","90","","108.489","0.001","90","","7854.7","0.2","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 Cl2 N4 Pd -","- C42 H48 Cl2 N4 Pd -","- C336 H384 Cl16 N32 Pd8 -","8","1","","Hélène Lebel; Marc K. Janes; André B. Charette; Steven P. Nolan","Structure and Reactivity of ""Unusual"" N-Heterocyclic Carbene (NHC) Palladium Complexes Synthesized from Imidazolium Salts","Journal of the American Chemical Society","2004","126","","5046","5047","10.1021/ja049759r","","","1.54178","CuKα","","0.0754","0.0415","","","0.0762","0.0819","","","","","","0.992","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112508","50.4","0.003","10.9732","0.0006","32.3863","0.0018","90","","127.41","0.002","90","","14227","1.4","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","C 1 c 1","C -2yc","9","","","","- C42 H48 Cl2 N4 Pd -","- C42 H48 Cl2 N4 Pd -","- C504 H576 Cl24 N48 Pd12 -","12","3","","Hélène Lebel; Marc K. Janes; André B. Charette; Steven P. Nolan","Structure and Reactivity of ""Unusual"" N-Heterocyclic Carbene (NHC) Palladium Complexes Synthesized from Imidazolium Salts","Journal of the American Chemical Society","2004","126","","5046","5047","10.1021/ja049759r","","","1.54178","CuKα","","0.105","0.0565","","","0.1051","0.1151","","","","","","0.814","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112509","14.517","0.0002","14.562","0.0002","16.604","0.0003","68.92","0.0007","82.401","0.0007","87.837","0.0009","3246.19","0.09","230","0.2","230","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H69 B3 O12 S Th -","- C72 H57 B3 O12 S Th -","- C144 H114 B6 O24 S2 Th2 -","2","1","","Eyal Barnea; Tamer Andrea; Moshe Kapon; Moris S. Eisen","Formation of Inclusion Organoactinide Complexes with Boron-Containing Macrocycles","Journal of the American Chemical Society","2004","126","","5066","5067","10.1021/ja0498843","","","0.71073","MoKα","","0.0568","0.0329","","","0.0646","0.075","","","","","","0.904","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112510","17.383","0.0003","16.774","0.0004","18.284","0.0004","90","","107.866","0.0007","90","","5074.2","0.19","230","0.2","230","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H51 B3 O12 S U -","- C54 H51 B3 O12 S U -","- C216 H204 B12 O48 S4 U4 -","4","1","","Eyal Barnea; Tamer Andrea; Moshe Kapon; Moris S. Eisen","Formation of Inclusion Organoactinide Complexes with Boron-Containing Macrocycles","Journal of the American Chemical Society","2004","126","","5066","5067","10.1021/ja0498843","","","0.71073","MoKα","","0.0925","0.0369","","","0.084","0.1077","","","","","","0.896","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112511","9.77","0.0002","21.172","0.0003","24.294","0.0004","90","","97.149","0.0007","90","","4986.16","0.15","230","0.1","230","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H55 B3 O14 Th -","- C54 H54.2 B3 O14 Th -","- C216 H216.8 B12 O56 Th4 -","4","1","","Eyal Barnea; Tamer Andrea; Moshe Kapon; Moris S. Eisen","Formation of Inclusion Organoactinide Complexes with Boron-Containing Macrocycles","Journal of the American Chemical Society","2004","126","","5066","5067","10.1021/ja0498843","","","0.71073","MoKα","","0.0747","0.0362","","","0.0705","0.0744","","","","","","0.859","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112512","17.192","0.0005","16.451","0.0005","18.7","0.0006","90","","111.166","0.0013","90","","4932","0.3","230","0.2","230","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H46 B3 Li O13 Th -","- C52 H46 B3 Li O13 Th -","- C208 H184 B12 Li4 O52 Th4 -","4","1","","Eyal Barnea; Tamer Andrea; Moshe Kapon; Moris S. Eisen","Formation of Inclusion Organoactinide Complexes with Boron-Containing Macrocycles","Journal of the American Chemical Society","2004","126","","5066","5067","10.1021/ja0498843","","","0.71073","MoKα","","0.0846","0.0436","","","0.1044","0.115","","","","","","0.892","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112513","18.617","0.006","9.935","0.003","19.129","0.007","90","","90.781","0.007","90","","3538","2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C Br3 Cl F31 O8 S Sb Te6 -","- C Br3 Cl F31 O8 S Sb Te6 -","- C4 Br12 Cl4 F124 O32 S4 Sb4 Te24 -","4","1","","Hélène P. A. Mercier; Matthew D. Moran; Gary J. Schrobilgen; Christoph Steinberg; Reijo J. Suontamo","The Syntheses of Carbocations by Use of the Noble-Gas Oxidant, [XeOTeF5][Sb(OTeF5)6]: The Syntheses and Characterization of the CX3+ (X = Cl, Br, OTeF5) and CBr(OTeF5)2+ Cations and Theoretical Studies of CX3+ and BX3 (X = F, Cl, Br, I, OTeF5)","Journal of the American Chemical Society","2004","126","","5533","5548","10.1021/ja030649e","","","0.71073","MoKα","","0.1229","0.0621","","","0.1051","0.1211","","","","","","1.035","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112514","10.082","0.004","10.95","0.004","24.572","0.01","83.482","0.008","81.679","0.007","70.019","0.007","2516.6","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C Cl3 F48 O15 S3 Sb Te9 -","- C Cl3 F48 O15 S3 Sb Te9 -","- C2 Cl6 F96 O30 S6 Sb2 Te18 -","2","1","","Hélène P. A. Mercier; Matthew D. Moran; Gary J. Schrobilgen; Christoph Steinberg; Reijo J. Suontamo","The Syntheses of Carbocations by Use of the Noble-Gas Oxidant, [XeOTeF5][Sb(OTeF5)6]: The Syntheses and Characterization of the CX3+ (X = Cl, Br, OTeF5) and CBr(OTeF5)2+ Cations and Theoretical Studies of CX3+ and BX3 (X = F, Cl, Br, I, OTeF5)","Journal of the American Chemical Society","2004","126","","5533","5548","10.1021/ja030649e","","","0.71073","MoKα","","0.1653","0.0668","","","0.1081","0.1259","","","","","","0.878","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112515","8.7059","0.0019","9.181","0.002","9.862","0.002","104.111","0.005","103.507","0.005","98.851","0.005","724.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C Cl3 F30 O6 Sb Te6 -","- C Cl3 F30 O6 Sb Te6 -","- C Cl3 F30 O6 Sb Te6 -","1","0.5","","Hélène P. A. Mercier; Matthew D. Moran; Gary J. Schrobilgen; Christoph Steinberg; Reijo J. Suontamo","The Syntheses of Carbocations by Use of the Noble-Gas Oxidant, [XeOTeF5][Sb(OTeF5)6]: The Syntheses and Characterization of the CX3+ (X = Cl, Br, OTeF5) and CBr(OTeF5)2+ Cations and Theoretical Studies of CX3+ and BX3 (X = F, Cl, Br, I, OTeF5)","Journal of the American Chemical Society","2004","126","","5533","5548","10.1021/ja030649e","","","0.71073","MoKα","","0.0628","0.0355","","","0.0687","0.0736","","","","","","0.982","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112516","19.969","0.004","18.076","0.004","21.147","0.004","90","","105.17","0.03","90","","7367","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H40 F12 N O P Pd -","- C35 H40 F12 N O P Pd -","- C280 H320 F96 N8 O8 P8 Pd8 -","8","2","","Makoto Yamashita; John F. Hartwig","Synthesis, Structure, and Reductive Elimination Chemistry of Three-Coordinate Arylpalladium Amido Complexes","Journal of the American Chemical Society","2004","126","","5344","5345","10.1021/ja0315107","","","0.71073","MoKα","","0.1292","0.0546","","","0.1127","0.1356","","","","","","1.002","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112517","10.251","0.002","19.822","0.004","20.2","0.004","90","","94.75","0.03","90","","4090.4","1.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 F12 Fe N O P Pd -","- C41 H40 F12 Fe N O P Pd -","- C164 H160 F48 Fe4 N4 O4 P4 Pd4 -","4","1","","Makoto Yamashita; John F. Hartwig","Synthesis, Structure, and Reductive Elimination Chemistry of Three-Coordinate Arylpalladium Amido Complexes","Journal of the American Chemical Society","2004","126","","5344","5345","10.1021/ja0315107","","","0.71073","MoKα","","0.0883","0.0434","","","0.0962","0.1094","","","","","","1.029","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112518","14.979","0.003","17.638","0.004","24.486","0.005","90","","103.7","0.03","90","","6285","2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C71 H60 F12 Fe N O P Pd -","- C71 H60 F12 Fe N O P Pd -","- C284 H240 F48 Fe4 N4 O4 P4 Pd4 -","4","1","","Makoto Yamashita; John F. Hartwig","Synthesis, Structure, and Reductive Elimination Chemistry of Three-Coordinate Arylpalladium Amido Complexes","Journal of the American Chemical Society","2004","126","","5344","5345","10.1021/ja0315107","","","0.71073","MoKα","","0.1332","0.0536","","","0.1004","0.1213","","","","","","1.004","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112519","12.301","0.003","12.824","0.003","14.038","0.003","63.3","0.03","67.09","0.03","71.43","0.03","1794.3","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H36 F12 N P Pd S -","- C31 H35 F12 N P Pd S1.4 -","- C62 H70 F24 N2 P2 Pd2 S2.8 -","2","1","","Makoto Yamashita; John F. Hartwig","Synthesis, Structure, and Reductive Elimination Chemistry of Three-Coordinate Arylpalladium Amido Complexes","Journal of the American Chemical Society","2004","126","","5344","5345","10.1021/ja0315107","","","0.71073","MoKα","","0.071","0.0454","","","0.1009","0.1094","","","","","","1.082","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112520","13.525","0.003","15.326","0.003","15.58","0.003","73.57","0.03","71.97","0.03","81.58","0.03","2939.4","1.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C67.5 H53 F12 Fe N O P2 Pd -","- C67.5 H49 F12 Fe N O P2 Pd -","- C135 H98 F24 Fe2 N2 O2 P4 Pd2 -","2","1","","Makoto Yamashita; John F. Hartwig","Synthesis, Structure, and Reductive Elimination Chemistry of Three-Coordinate Arylpalladium Amido Complexes","Journal of the American Chemical Society","2004","126","","5344","5345","10.1021/ja0315107","","","0.71073","MoKα","","0.0781","0.0485","","","0.1253","0.1388","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112521","11.8025","0.0012","11.8154","0.0012","11.996","0.0012","73.134","0.002","63.641","0.002","85.474","0.002","1432","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H36 O Si -","- C38 H36 O Si -","- C76 H72 O2 Si2 -","2","1","","Irina S. Toulokhonova; Ilia A. Guzei; Robert West","Synthesis of a Silene from 1,1-Dilithiosilole and 2-Adamantanone","Journal of the American Chemical Society","2004","126","","5336","5337","10.1021/ja0318176","","","0.71073","MoKα","","0.0462","0.0434","","","0.1174","0.1201","","","","","","1.052","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112522","17.9305","0.001","10.7556","0.0006","20.4058","0.0011","90","","109.201","0.001","90","","3716.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 O2 Si -","- C48 H50 O2 Si -","- C192 H200 O8 Si4 -","4","1","","Irina S. Toulokhonova; Ilia A. Guzei; Robert West","Synthesis of a Silene from 1,1-Dilithiosilole and 2-Adamantanone","Journal of the American Chemical Society","2004","126","","5336","5337","10.1021/ja0318176","","","0.71073","MoKα","","0.0666","0.0515","","","0.1337","0.1424","","","","","","1.082","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112523","14.2755","0.0017","15.4092","0.0018","19.496","0.002","97.471","0.002","104.111","0.002","115.452","0.002","3618","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H48 O Si -","- C48 H48 O Si -","- C192 H192 O4 Si4 -","4","2","","Irina S. Toulokhonova; Ilia A. Guzei; Robert West","Synthesis of a Silene from 1,1-Dilithiosilole and 2-Adamantanone","Journal of the American Chemical Society","2004","126","","5336","5337","10.1021/ja0318176","","","0.71073","MoKα","","0.1539","0.0849","","","0.2005","0.2221","","","","","","1.019","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112524","9.4421","0.0012","18.289","0.002","55.173","0.007","90","","90","","90","","9528","2","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 Cl4 P2 Pt Sn -","- C29 H30 Cl4 P2 Pt Sn -","- C348 H360 Cl48 P24 Pt12 Sn12 -","12","3","","Charles P. Casey; Susie C. Martins; Maureen A. Fagan","Reversal of Enantioselectivity in the Hydroformylation of Styrene with [2S,4S-BDPP]Pt(SnCl3)Cl at High Temperature Arises from a Change in the Enantioselective-Determining Step","Journal of the American Chemical Society","2004","126","","5585","5592","10.1021/ja0318479","","","0.71073","MoKα","","0.2092","0.0856","","","0.1649","0.204","","","","","","0.981","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112525","8.705","0.002","5.185","0.003","15.168","0.003","90","","101.69","0.02","90","","670.4","0.4","296.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H15 Cl2 N O -","- C13 H15 Cl2 N O -","- C26 H30 Cl4 N2 O2 -","2","1","","Yoshinori Nishii; Kazunori Wakasugi; Keisuke Koga; Yoo Tanabe","Chirality Exchange from sp3 Central Chirality to Axial Chirality: Benzannulation of Optically Active Diaryl-2,2-dichlorocyclopropylmethanols to Axially Chiral α-Arylnaphthalenes","Journal of the American Chemical Society","2004","126","","5358","5359","10.1021/ja0319442","","","0.7107","MoKα","","","0.0333","","","","0.0488","","","","","","1.409","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112526","8.043","0.0008","8.818","0.001","12.961","0.002","97.664","0.007","107.021","0.008","109.557","0.003","800.49","0.18","293.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 Cl2 O -","- C18 H18 Cl2 O -","- C36 H36 Cl4 O2 -","2","1","","Yoshinori Nishii; Kazunori Wakasugi; Keisuke Koga; Yoo Tanabe","Chirality Exchange from sp3 Central Chirality to Axial Chirality: Benzannulation of Optically Active Diaryl-2,2-dichlorocyclopropylmethanols to Axially Chiral α-Arylnaphthalenes","Journal of the American Chemical Society","2004","126","","5358","5359","10.1021/ja0319442","","","1.5418","CuKα","","","0.048","","","","0.095","","","","","","0.88","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112527","25.251","0.003","6.856","0.001","10.484","0.001","90","","112.78","0.01","90","","1673.4","0.4","298.2","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H13 Br2 Cl -","- C18 H13 Br2 Cl -","- C72 H52 Br8 Cl4 -","4","1","","Yoshinori Nishii; Kazunori Wakasugi; Keisuke Koga; Yoo Tanabe","Chirality Exchange from sp3 Central Chirality to Axial Chirality: Benzannulation of Optically Active Diaryl-2,2-dichlorocyclopropylmethanols to Axially Chiral α-Arylnaphthalenes","Journal of the American Chemical Society","2004","126","","5358","5359","10.1021/ja0319442","","","1.5418","CuKα","","","0.0475","","","","0.0693","","","","","","1.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112528","7.6096","0.0006","8.7046","0.0007","21.8164","0.0018","90","","90","","90","","1445.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 N O2 -","- C16 H27 N O2 -","- C64 H108 N4 O8 -","4","1","","Aaron Wrobleski; Kiran Sahasrabudhe; Jeffrey Aubé","Asymmetric Total Synthesis of Dendrobatid Alkaloids: Preparation of Indolizidine 251F and Its 3-Desmethyl Analogue Using an Intramolecular Schmidt Reaction Strategy","Journal of the American Chemical Society","2004","126","","5475","5481","10.1021/ja0320018","","","0.71073","MoKα","","0.0466","0.0419","","","0.1015","0.1047","","","","","","1.047","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112529","19.8444","0.0007","8.5365","0.0003","12.0682","0.0004","90","","113.731","0.001","90","","1871.51","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 F2 N4 O2 Si -","- C18 H22 F2 N4 O2 Si -","- C72 H88 F8 N16 O8 Si4 -","4","0.5","","Nikolaus Kocher; Julian Henn; Boris Gostevskii; Daniel Kost; Inna Kalikhman; Bernd Engels; Dietmar Stalke","Si-E (E = N, O, F) Bonding in a Hexacoordinated Silicon Complex: New Facts from Experimental and Theoretical Charge Density Studies","Journal of the American Chemical Society","2004","126","","5563","5568","10.1021/ja038459r","","","0.71073","MoKα","","0.042","0.0365","","","0.102","0.1052","","","","","","1.011","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112530","10.533","0.001","12.728","0.001","14.913","0.001","89.465","0.006","89.799","0.006","96.143","0.006","1987.7","0.3","100","0.5","100","0.5","","","","","","","see text","5","P -1","-P 1","2","","","","- C47 H46 Cl2 P2 Ru -","- C47 H46 Cl2 P2 Ru -","- C94 H92 Cl4 P4 Ru2 -","2","1","","Walter Baratta; Carlo Mealli; Eberhardt Herdtweck; Andrea Ienco; Sax A. Mason; Pierluigi Rigo","Nonclassical vs Classical Metal...H3C-C Interactions: Accurate Characterization of a 14-Electron Ruthenium(II) System by Neutron Diffraction, Database Analysis, Solution Dynamics, and DFT Studies","Journal of the American Chemical Society","2004","126","","5549","5562","10.1021/ja038986a","","neutron","1.5364","neutron","","0.0727","0.0641","","","0.1261","0.1305","","","","","","1.123","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112531","11.883","0.002","21.427","0.004","28.346","0.006","90","","90","","90","","7217","2","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C89 H66 Ag Cl1.75 F0 O4 P4 S -","- C88.96 H65.73 Ag Cl1.895 O4 P4 S -","- C355.84 H262.92 Ag4 Cl7.58 O16 P16 S4 -","4","1","","Norie Momiyama; Hisashi Yamamoto","Enantioselective O- and N-Nitroso Aldol Synthesis of Tin Enolates. Isolation of Three BINAP-Silver Complexes and Their Role in Regio- and Enantioselectivity","Journal of the American Chemical Society","2004","126","","5360","5361","10.1021/ja039103i","","","0.71073","MoKα","","0.048","0.0462","","","0.1092","0.1102","","","","","","1.152","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112532","11.122","0.002","16.334","0.003","24.032","0.005","90","","90","","90","","4365.8","1.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H32 Ag2 F6 O6 P2 S2 -","- C46 H32 Ag2 F6 O6 P2 S2 -","- C184 H128 Ag8 F24 O24 P8 S8 -","4","1","","Norie Momiyama; Hisashi Yamamoto","Enantioselective O- and N-Nitroso Aldol Synthesis of Tin Enolates. Isolation of Three BINAP-Silver Complexes and Their Role in Regio- and Enantioselectivity","Journal of the American Chemical Society","2004","126","","5360","5361","10.1021/ja039103i","","","0.71073","MoKα","","0.0348","0.0317","","","0.0752","0.0761","","","","","","1.031","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112533","24.902","0.015","10.638","0.006","17.118","0.01","90","","118.091","0.009","90","","4001","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H56 O2 P4 Pd -","- C40 H56 O2 P4 Pd -","- C160 H224 O8 P16 Pd4 -","4","0.5","","James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois","Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes","Journal of the American Chemical Society","2004","126","","5502","5514","10.1021/ja0395240","","","0.71073","MoKα","","0.0328","0.0305","","","0.0939","0.0973","","","","","","0.838","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112534","11.087","0.002","14.17","0.003","15.859","0.003","90.503","0.003","109.192","0.003","106.287","0.003","2244.5","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H64 O2 P4 Pd -","- C46 H64 O2 P4 Pd -","- C92 H128 O4 P8 Pd2 -","2","1","","James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois","Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes","Journal of the American Chemical Society","2004","126","","5502","5514","10.1021/ja0395240","","","0.71073","MoKα","","0.0421","0.0376","","","0.0949","0.0978","","","","","","1.076","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112535","20.379","0.0008","16.9052","0.0007","21.5603","0.0008","90","","111.672","0.001","90","","6902.7","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H58 B2 F8 O P4 Pd -","- C24 H58 B2 F8 O P4 Pd -","- C192 H464 B16 F64 O8 P32 Pd8 -","8","2","","James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois","Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes","Journal of the American Chemical Society","2004","126","","5502","5514","10.1021/ja0395240","","","0.71073","MoKα","","0.1166","0.0522","","","0.0908","0.1098","","","","","","1.023","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112536","12.423","0.01","22.881","0.017","16.794","0.013","90","","100.713","0.015","90","","4691","6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H62 B2 F8 O3 P4 Pd -","- C42 H58 B2 F8 O3 P4 Pd -","- C168 H232 B8 F32 O12 P16 Pd4 -","4","1","","James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois","Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes","Journal of the American Chemical Society","2004","126","","5502","5514","10.1021/ja0395240","","","0.71073","MoKα","","0.1041","0.0674","","","0.17","0.1914","","","","","","1.021","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112537","14.0903","0.0019","18.715","0.003","23.13","0.003","106.886","0.002","106.065","0.003","90.951","0.003","5577.2","1.4","164","2","164","2","","","","","","","","8","P -1","-P 1","2","","","","- C104 H150 B4 F16 N4 O5 P8 Pd2 -","- C104 H150 B4 F16 N4 O5 P8 Pd2 -","- C208 H300 B8 F32 N8 O10 P16 Pd4 -","2","1","","James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois","Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes","Journal of the American Chemical Society","2004","126","","5502","5514","10.1021/ja0395240","","","0.71073","MoKα","","0.1141","0.0775","","","0.2142","0.2393","","","","","","1.088","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112538","10.035","0.005","10.316","0.005","18.247","0.009","80.89","0.009","79.214","0.009","66.363","0.008","1692.6","1.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H56 P4 Pd -","- C32 H56 P4 Pd -","- C64 H112 P8 Pd2 -","2","1","","James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois","Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes","Journal of the American Chemical Society","2004","126","","5502","5514","10.1021/ja0395240","","","0.71073","MoKα","","0.045","0.0377","","","0.0913","0.095","","","","","","1.037","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112539","19.58","0.02","11.555","0.013","16.865","0.019","90","","99.802","0.019","90","","3760","7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 B F4 P2 Pd0.5 -","- C16 H28 B F4 P2 Pd0.5 -","- C128 H224 B8 F32 P16 Pd4 -","8","1","","James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois","Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes","Journal of the American Chemical Society","2004","126","","5502","5514","10.1021/ja0395240","","","0.71073","MoKα","","0.0448","0.0422","","","0.1062","0.1083","","","","","","1.131","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112540","10.2163","0.001","10.2163","0.001","5.9707","0.0006","90","","90","","120","","539.69","0.09","190","2","190","2","","","","","","","","2","P 63/m","-P 6c","176","","","","- C6 N16 -","- C6 N16 -","- C12 N32 -","2","0.166667","","Dale R. Miller; Dale C. Swenson; Edward G. Gillan","Synthesis and Structure of 2,5,8-Triazido-s-Heptazine: An Energetic and Luminescent Precursor to Nitrogen-Rich Carbon Nitrides","Journal of the American Chemical Society","2004","126","","5372","5373","10.1021/ja048939y","","","0.71073","MoKα","","0.0368","0.035","","","0.1052","0.1078","","","","","","1.191","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112541","6.8315","0.0015","7.4154","0.0016","30.72","0.007","90","","93.928","0.005","90","","1552.6","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","para-tolualdehyde N-tert-butyldimethylsilylhydrozone","","","- C14 H24 N2 Si -","- C14 H24 N2 Si -","- C56 H96 N8 Si4 -","4","1","","Michael E. Furrow; Andrew G. Myers","Practical Procedures for the Preparation of N-tert-Butyldimethylsilylhydrazones and Their Use in Modified Wolff-Kishner Reductions and in the Synthesis of Vinyl Halides and gem-Dihalides","Journal of the American Chemical Society","2004","126","","5436","5445","10.1021/ja049694s","","","0.71073","MoKα","","0.1493","0.0766","","","0.1284","0.1475","","","","","","0.99","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112542","48.2928","0.0011","48.2928","0.0011","11.8656","0.0011","90","","90","","120","","23965","2","298","2","298","2","","","","","","","chemical synthesis","3","R 3 m :H","R 3 -2""","160","","Hexakis(2',3',4',5',6'-pentaphenylbiphenyl-4-yl)benzene","","- C272 H202 Cl28 -","- C264 H174 -","- C792 H522 -","3","0.166667","","Xianfeng Shen; Douglas M. Ho; Robert A. Pascal","Synthesis of Polyphenylene Dendrimers Related to ""Cubic Graphite""","Journal of the American Chemical Society","2004","126","","5798","5805","10.1021/ja030675c","","","0.71073","MoKα","","0.1545","0.1321","","0.3751","0.3431","","","","1.033","1.204","1.204","","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112543","12.941","0.0002","6.228","0.0001","14.697","0.0002","90","","105.806","0.001","90","","1139.74","0.03","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F N O -","- C13 H16 F N O -","- C52 H64 F4 N4 O4 -","4","1","","Eric M. Tippmann; Matthew S. Platz; Irina B. Svir; Oleksiy V. Klymenko","Evidence for Specific Solvation of Two Halocarbene Amides","Journal of the American Chemical Society","2004","126","","5750","5762","10.1021/ja039693k","","","0.71073","MoKα","","0.0644","0.0424","","0.1195","0.1068","","","","1.028","1.078","1.078","","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112544","8.6822","0.0007","12.6421","0.0011","14.2624","0.0013","90","","91.29","0.002","90","","1565.1","0.2","243","2","243","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H32 Cl3 N3 O2 Si -","- C31 H32 Cl3 N3 O2 Si -","- C62 H64 Cl6 N6 O4 Si2 -","2","1","","Richard Berger; Keiko Duff; James L. Leighton","Enantioselective Allylation of Ketone-Derived Benzoylhydrazones: Practical Synthesis of Tertiary Carbinamines","Journal of the American Chemical Society","2004","126","","5686","5687","10.1021/ja0486418","","","0.71073","MoKα","","0.049","0.0383","","","0.0909","0.0957","","","","","","1.062","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112545","15.734","0.002","24.833","0.003","21.45","0.003","90","","102.226","0.008","90","","8190.9","1.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C82 H64 B2 F40 N2 P2 Ti2 -","- C82 H64 B2 F40 N2 P2 Ti2 -","- C328 H256 B8 F160 N8 P8 Ti8 -","4","1","","Kuangbiao Ma; Warren E. Piers; Yuan Gao; Masood Parvez","Isolation and Characterization of a Monomeric Cationic Titanium Hydride","Journal of the American Chemical Society","2004","126","","5668","5669","10.1021/ja048952i","","","0.71073","MoKα","","0.0719","0.0403","","","0.0986","0.1162","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112546","12.517","0.002","14.815","0.002","14.984","0.003","96.751","0.006","111.708","0.007","94.706","0.007","2539.8","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H51 B F20 N O P Ti -","- C50 H51 B F20 N O P Ti -","- C100 H102 B2 F40 N2 O2 P2 Ti2 -","2","1","","Kuangbiao Ma; Warren E. Piers; Yuan Gao; Masood Parvez","Isolation and Characterization of a Monomeric Cationic Titanium Hydride","Journal of the American Chemical Society","2004","126","","5668","5669","10.1021/ja048952i","","","0.71073","MoKα","","0.0736","0.0445","","","0.105","0.1176","","","","","","1.035","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112547","10.597","0.003","16.036","0.004","15.346","0.005","90","","92.82","0.011","90","","2604.6","1.3","173","2","173","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C50 H50 B Br F20 N O P Ti -","- C50 H50 B Br F20 N O P Ti -","- C100 H100 B2 Br2 F40 N2 O2 P2 Ti2 -","2","1","","Kuangbiao Ma; Warren E. Piers; Yuan Gao; Masood Parvez","Isolation and Characterization of a Monomeric Cationic Titanium Hydride","Journal of the American Chemical Society","2004","126","","5668","5669","10.1021/ja048952i","","","0.71073","MoKα","","0.052","0.0381","","","0.0926","0.0989","","","","","","1.084","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112548","25.6135","0.0007","25.6135","0.0007","25.6135","0.0007","90","","90","","90","","16803.8","0.8","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","IRMOF-18","","","- C36 H36 O13 Zn4 -","- C36 H36 O13 Zn4 -","- C288 H288 O104 Zn32 -","8","0.0416667","","Jesse L. C. Rowsell; Andrew R. Millward; Kyo Sung Park; Omar M. Yaghi","Hydrogen Sorption in Functionalized Metal-Organic Frameworks","Journal of the American Chemical Society","2004","126","","5666","5667","10.1021/ja049408c","","","0.71073","MoKα","","0.0923","0.073","","","0.2108","0.2255","","","","","","1.078","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112549","6.593","0.002","7.093","0.002","18.765","0.005","90","","91.36","0.02","90","","877.3","0.4","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C16 H26 Cl N O4 -","- C16 H26 Cl N O4 -","- C32 H52 Cl2 N2 O8 -","2","1","","Stephen Hanessian; Martin Tremblay; Jens F. W. Petersen","The N-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin","Journal of the American Chemical Society","2004","126","","6064","6071","10.1021/ja030669g","","","1.54178","CuKα","","0.0593","0.0467","","","0.1135","0.1224","","","","","","0.935","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112550","10.019","0.003","12.966","0.004","23.814","0.009","90","","90","","90","","3093.6","1.8","223","2","223","2","","","","","","","synthesized by the authors, see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 N2 O8 -","- C32 H42 N2 O8 -","- C128 H168 N8 O32 -","4","1","","Stephen Hanessian; Martin Tremblay; Jens F. W. Petersen","The N-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin","Journal of the American Chemical Society","2004","126","","6064","6071","10.1021/ja030669g","","","1.54178","CuKα","","0.0696","0.0498","","0.1235","","0.1138","","","0.904","","","1.029","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112551","6.335","0.003","9.404","0.002","34.399","0.009","90","","90","","90","","2049.3","1.2","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Cl N O4 -","- C18 H30 Cl N O4 -","- C72 H120 Cl4 N4 O16 -","4","1","","Stephen Hanessian; Martin Tremblay; Jens F. W. Petersen","The N-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin","Journal of the American Chemical Society","2004","126","","6064","6071","10.1021/ja030669g","","","1.54178","CuKα","","0.0769","0.0438","","","0.0986","0.1102","","","","","","0.725","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112552","7.527","0.003","12.89","0.006","18.219","0.007","90","","90","","90","","1767.7","1.3","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 Cl N O4 -","- C16 H26 Cl N O4 -","- C64 H104 Cl4 N4 O16 -","4","1","","Stephen Hanessian; Martin Tremblay; Jens F. W. Petersen","The N-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin","Journal of the American Chemical Society","2004","126","","6064","6071","10.1021/ja030669g","","","1.54178","CuKα","","0.0399","0.0358","","","0.0935","0.0957","","","","","","1.015","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112553","6.54","0.003","13.811","0.005","19.763","0.007","90","","90","","90","","1785.1","1.2","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 Cl N O4 -","- C16 H26 Cl N O4 -","- C64 H104 Cl4 N4 O16 -","4","1","","Stephen Hanessian; Martin Tremblay; Jens F. W. Petersen","The N-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin","Journal of the American Chemical Society","2004","126","","6064","6071","10.1021/ja030669g","","","1.54178","CuKα","","0.0519","0.035","","","0.0777","0.0832","","","","","","0.802","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112554","27.983","0.007","27.983","0.007","27.983","0.007","90","","90","","90","","21912","9","293","2","123","2","","","","","","","","5","I 41 3 2","I 4bd 2c 3","214","","","","- C60 H54 N6 Ni3 O18 -","- C60 H54 N6 Ni3 O18 -","- C480 H432 N48 Ni24 O144 -","8","0.166667","","Darren Bradshaw; Timothy J. Prior; Edmund J. Cussen; John B. Claridge; Matthew J. Rosseinsky","Permanent Microporosity and Enantioselective Sorption in a Chiral Open Framework","Journal of the American Chemical Society","2004","126","","6106","6114","10.1021/ja0316420","","","0.6931","synchrotron","","0.1729","0.1123","","","0.2889","0.3266","","","","","","1.071","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112555","28.3174","0.0004","28.3174","0.0004","28.3174","0.0004","90","","90","","90","","22707","0.6","150","2","150","2","","","","","","","","5","I 41 3 2","I 4bd 2c 3","214","","","","- C63 H72 N6 Ni3 O18 -","- C63 H72 N6 Ni3 O18 -","- C504 H576 N48 Ni24 O144 -","8","0.166667","","Darren Bradshaw; Timothy J. Prior; Edmund J. Cussen; John B. Claridge; Matthew J. Rosseinsky","Permanent Microporosity and Enantioselective Sorption in a Chiral Open Framework","Journal of the American Chemical Society","2004","126","","6106","6114","10.1021/ja0316420","","","0.6975","Synchrotron","","0.0453","0.0435","","","0.1212","0.1227","","","","","","1.173","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112556","28.135","0.0004","28.135","0.0004","28.135","0.0004","90","","90","","90","","22271.1","0.5","150","2","150","2","","","","","","","","5","I 41 3 2","I 4bd 2c 3","214","","","","- C63 H72 N6 Ni3 O18 -","- C63 H72 N6 Ni3 O18 -","- C504 H576 N48 Ni24 O144 -","8","0.166667","","Darren Bradshaw; Timothy J. Prior; Edmund J. Cussen; John B. Claridge; Matthew J. Rosseinsky","Permanent Microporosity and Enantioselective Sorption in a Chiral Open Framework","Journal of the American Chemical Society","2004","126","","6106","6114","10.1021/ja0316420","","","0.6875","Synchrotron","","0.0762","0.0706","","","0.2246","0.2366","","","","","","1.257","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112557","10.8103","0.0004","13.651","0.0005","20.8737","0.001","94.111","0.002","91.262","0.002","113.14","0.002","2821","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 P2 S4 -","- C32 H28 P2 S4 -","- C128 H112 P8 S16 -","4","2","","Claire Fave; Muriel Hissler; Tamás Kárpáti; Joëlle Rault-Berthelot; Valérie Deborde; Loic Toupet; László Nyulászi; Régis Réau","Connecting π-Chromophores by σ-P-P Bonds: New Type of Assemblies Exhibiting σ-π-Conjugation","Journal of the American Chemical Society","2004","126","","6058","6063","10.1021/ja0317067","","","0.71069","MoKα","","0.1284","0.071","","","0.1848","0.2272","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112558","5.582","0.003","8.991","0.006","13.574","0.008","90","","96.75","0.02","90","","676.5","0.7","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C38 H32 O4 -","2","1","","Zhangjie Shi; Chuan He","An Au-Catalyzed Cyclialkylation of Electron-Rich Arenes with Epoxides To Prepare 3-Chromanols","Journal of the American Chemical Society","2004","126","","5964","5965","10.1021/ja031953a","","","0.71073","MoKα","","0.0689","0.0553","","","0.1067","0.1122","","","","","","1.087","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112559","8.4395","0.0004","16.8558","0.0007","18.3565","0.0008","90","","93.12","0.001","90","","2607.4","0.2","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H44 B F4 P2 Rh -","- C22 H44 B F4 P2 Rh -","- C88 H176 B4 F16 P8 Rh4 -","4","2","","Garrett Hoge; He-Ping Wu; William S. Kissel; Derek A. Pflum; Derek J. Greene; Jian Bao","Highly Selective Asymmetric Hydrogenation Using a Three Hindered Quadrant Bisphosphine Rhodium Catalyst","Journal of the American Chemical Society","2004","126","","5966","5967","10.1021/ja048496y","","","0.71073","MoKα","","0.067","0.055","","","0.1125","0.1181","","","","","","1.02","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112560","9.4271","0.0012","9.8702","0.0012","18.813","0.002","90","","90","","90","","1750.5","0.4","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C80 H96 O16 -","4","1","","Qi-Ying Hu; Pankaj D. Rege; E. J. Corey","Simple, Catalytic Enantioselective Syntheses of Estrone and Desogestrel","Journal of the American Chemical Society","2004","126","","5984","5986","10.1021/ja048808x","","","0.71073","MoKα","","0.0477","0.0372","","","0.0766","0.0798","","","","","","1.011","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112561","9.4733","0.0004","11.9166","0.0005","17.5861","0.0008","90","","90","","90","","1985.29","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 F7 Ir P -","- C17 H27 F7 Ir P -","- C68 H108 F28 Ir4 P4 -","4","1","","Russell P. Hughes; Donghui Zhang; Antony J. Ward; Lev N. Zakharov; Arnold L. Rheingold","Conformational Analysis and Assignments of Relative Stereocenter Configurations in Fluoroalkyl-Iridium Complexes Using 19F{1H} HOESY Experiments. Comparison with Solid-State X-ray Structural Results","Journal of the American Chemical Society","2004","126","","6169","6178","10.1021/ja049225q","","","0.71073","MoKα","","0.052","0.0507","","","0.1175","0.1184","","","","","","1.124","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112562","8.521","0.0007","15.2085","0.0012","14.6563","0.0012","90","","95.585","0.002","90","","1890.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 F9 I Ir O -","- C15 H15 F9 I Ir O -","- C60 H60 F36 I4 Ir4 O4 -","4","1","","Russell P. Hughes; Donghui Zhang; Antony J. Ward; Lev N. Zakharov; Arnold L. Rheingold","Conformational Analysis and Assignments of Relative Stereocenter Configurations in Fluoroalkyl-Iridium Complexes Using 19F{1H} HOESY Experiments. Comparison with Solid-State X-ray Structural Results","Journal of the American Chemical Society","2004","126","","6169","6178","10.1021/ja049225q","","","0.71073","MoKα","","0.0523","0.045","","","0.1214","0.128","","","","","","1.004","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112563","9.4637","0.0007","15.4169","0.0007","14.9804","0.0009","90","","90.16","0.002","90","","2185.6","0.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C17 H24 F9 I Ir P -","- C17 H24 F9 I Ir P -","- C68 H96 F36 I4 Ir4 P4 -","4","1","","Russell P. Hughes; Donghui Zhang; Antony J. Ward; Lev N. Zakharov; Arnold L. Rheingold","Conformational Analysis and Assignments of Relative Stereocenter Configurations in Fluoroalkyl-Iridium Complexes Using 19F{1H} HOESY Experiments. Comparison with Solid-State X-ray Structural Results","Journal of the American Chemical Society","2004","126","","6169","6178","10.1021/ja049225q","","","0.71073","MoKα","","0.0368","0.0364","","","0.0957","0.0961","","","","","","1.068","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112564","13.423","0.011","13.495","0.012","13.817","0.012","91.83","0.03","104.6","0.02","111.29","0.03","2235","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H30 Li3 N3 O6 -","- C16.75 H30 Li3 N3 O6 -","- C67 H120 Li12 N12 O24 -","4","2","","Anne J. McNeil; Gilman E. S. Toombes; Sithamalli V. Chandramouli; Benoit J. Vanasse; Timothy A. Ayers; Michael K. O'Brien; Emil Lobkovsky; Sol M. Gruner; John A. Marohn; David B. Collum","Characterization of β-Amino Ester Enolates as Hexamers via 6Li NMR Spectroscopy","Journal of the American Chemical Society","2004","126","","5938","5939","10.1021/ja049245s","","","0.71073","MoKα","","0.1275","0.0665","","","0.1502","0.1793","","","","","","0.949","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112565","18.1831","0.0006","10.3071","0.0004","18.4641","0.0006","90","","113.812","0.001","90","","3165.88","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H48 N2 O Zr -","- C35 H48 N2 O Zr -","- C140 H192 N8 O4 Zr4 -","4","1","","Denis A. Kissounko; Lawrence R. Sita","Nucleophilic Character of a Charge Neutral, High Oxidation State d0 Zirconium Trimethylenemethane Complex","Journal of the American Chemical Society","2004","126","","5946","5947","10.1021/ja0493897","","","0.71073","MoKα","","0.0361","0.027","","","0.0724","0.0789","","","","","","1.089","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112566","19.3351","0.0008","18.448","0.0008","16.6791","0.0007","90","","112.772","0.001","90","","5485.6","0.4","163","2","163","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H41 F3 N2 O3 S Zr -","- C24 H41 F3 N2 O3 S Zr -","- C192 H328 F24 N16 O24 S8 Zr8 -","8","2","","Denis A. Kissounko; Lawrence R. Sita","Nucleophilic Character of a Charge Neutral, High Oxidation State d0 Zirconium Trimethylenemethane Complex","Journal of the American Chemical Society","2004","126","","5946","5947","10.1021/ja0493897","","","0.71073","MoKα","","0.0758","0.0357","","","0.0813","0.0966","","","","","","1.059","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112567","11.38","0.003","12.167","0.003","19.528","0.005","90","","104.412","0.005","90","","2618.8","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 Br N O2 -","- C14 H16 Br N O2 -","- C112 H128 Br8 N8 O16 -","8","4","","Yuhei Yamamoto; Norie Momiyama; Hisashi Yamamoto","Enantioselective Tandem O-Nitroso Aldol/Michael Reaction","Journal of the American Chemical Society","2004","126","","5962","5963","10.1021/ja049741g","","","0.71073","MoKα","","0.0711","0.0572","","","0.0988","0.1034","","","","","","1.029","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112568","13.11","0.003","12.268","0.003","19.15","0.004","90","","100.39","0.03","90","","3029.5","1.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H49 O2 -","- C38 H49 O2 -","- C152 H196 O8 -","4","1","","May Xiao-Wu Jiang; Manish Rawat; William D. Wulff","Contingency and Serendipity in the Reactions of Fischer Carbene Complexes with Conjugated Triynes","Journal of the American Chemical Society","2004","126","","5970","5971","10.1021/ja049836i","","","0.71073","MoKα","","0.1957","0.0784","","","0.1828","0.2259","","","","","","1.045","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112569","6.0219","0.0012","9.4637","0.0019","11.002","0.002","86.06","0.03","80.54","0.03","86.94","0.03","616.4","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H13 O2 -","- C17 H13 O2 -","- C34 H26 O4 -","2","1","","May Xiao-Wu Jiang; Manish Rawat; William D. Wulff","Contingency and Serendipity in the Reactions of Fischer Carbene Complexes with Conjugated Triynes","Journal of the American Chemical Society","2004","126","","5970","5971","10.1021/ja049836i","","","0.71073","MoKα","","0.0576","0.049","","","0.1396","0.1441","","","","","","0.944","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112570","18.295","0.002","18.925","0.002","27.004","0.004","78.94","0.004","89.892","0.003","82.579","0.003","9096.6","1.9","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C156 H217 Fe6 N9 Ni2 P4 S26 -","- C155 H208 Fe6 N8.5 Ni2 P4 S26 -","- C310 H416 Fe12 N17 Ni4 P8 S52 -","2","1","","Rashmishree Panda; Yugen Zhang; Craig C. McLauchlan; P. Venkateswara Rao; F. A. Tiago de Oliveira; E. Münck; R. H. Holm","Initial Structure Modification of Tetrahedral to Planar Nickel(II) in a Nickel-Iron-Sulfur Cluster Related to the C-Cluster of Carbon Monoxide Dehydrogenase","Journal of the American Chemical Society","2004","126","","6448","6459","10.1021/ja030627s","","","0.71073","MoKα","","0.1085","0.0471","","","0.0839","0.096","","","","","","0.796","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112571","18.219","0.004","18.485","0.004","27.031","0.005","70.974","0.004","83.543","0.005","79.737","0.005","8454","3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C147 H203.5 Fe6 N4.5 Ni2 P4 S26 -","- C146.25 H202.75 Fe6 N4.5 Ni2 P4 S26 -","- C292.5 H405.5 Fe12 N9 Ni4 P8 S52 -","2","1","","Rashmishree Panda; Yugen Zhang; Craig C. McLauchlan; P. Venkateswara Rao; F. A. Tiago de Oliveira; E. Münck; R. H. Holm","Initial Structure Modification of Tetrahedral to Planar Nickel(II) in a Nickel-Iron-Sulfur Cluster Related to the C-Cluster of Carbon Monoxide Dehydrogenase","Journal of the American Chemical Society","2004","126","","6448","6459","10.1021/ja030627s","","","0.71073","MoKα","","0.1533","0.0637","","","0.1272","0.1651","","","","","","0.965","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112572","9.6554","0.0009","10.6473","0.001","10.7277","0.0012","98.262","0.008","90.685","0.008","115.702","0.007","980","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Fe(OEPO)(1-Me Imidazole)2","","","- C44 H53 Fe N8 O -","- C44 H53 Fe N8 O -","- C44 H53 Fe N8 O -","1","0.5","","Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch","The Effects of Axial Ligands on Electron Distribution and Spin States in Iron Complexes of Octaethyloxophlorin, Intermediates in Heme Degradation","Journal of the American Chemical Society","2004","126","","6379","6386","10.1021/ja0316014","","","1.54178","CuKα","","0.0728","0.0578","","","0.145","0.1655","","","","","","1.102","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112573","9.5027","0.0006","10.4786","0.0007","10.5971","0.0008","98.151","0.006","90.643","0.006","115.179","0.005","942.28","0.12","129","2","129","2","","","","","","","","5","P -1","-P 1","2","Fe(OEPO)(1-Me Imidazole)2","","","- C44 H53 Fe N8 O -","- C44 H53 Fe N8 O -","- C44 H53 Fe N8 O -","1","0.5","","Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch","The Effects of Axial Ligands on Electron Distribution and Spin States in Iron Complexes of Octaethyloxophlorin, Intermediates in Heme Degradation","Journal of the American Chemical Society","2004","126","","6379","6386","10.1021/ja0316014","","","1.54178","CuKα","","0.057","0.0521","","","0.1306","0.135","","","","","","1.071","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112574","9.4992","0.0014","10.4689","0.0015","10.5854","0.0016","98.14","0.003","90.682","0.003","115.099","0.003","940.6","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Fe(OEPO)(1-Methyl Imidazole)2","","","- C44 H53 Fe N8 O -","- C44 H53 Fe N8 O -","- C44 H53 Fe N8 O -","1","0.5","","Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch","The Effects of Axial Ligands on Electron Distribution and Spin States in Iron Complexes of Octaethyloxophlorin, Intermediates in Heme Degradation","Journal of the American Chemical Society","2004","126","","6379","6386","10.1021/ja0316014","","","0.71073","MoKα","","0.0421","0.0349","","","0.0849","0.0872","","","","","","1.077","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112575","20.079","0.002","21.373","0.002","10.5266","0.0011","90","","90","","90","","4517.5","0.8","90","2","90","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Fe(OEPO)(2,6-dimethyl phenylisocyanide)2","","","- C54 H59 Fe N6 O -","- C54 H59 Fe N6 O -","- C216 H236 Fe4 N24 O4 -","4","0.5","","Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch","The Effects of Axial Ligands on Electron Distribution and Spin States in Iron Complexes of Octaethyloxophlorin, Intermediates in Heme Degradation","Journal of the American Chemical Society","2004","126","","6379","6386","10.1021/ja0316014","","","0.71073","MoKα","","0.0472","0.0359","","","0.0883","0.0922","","","","","","1.073","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112576","12.5307","0.0003","12.6669","0.0003","13.3386","0.0003","73.288","0.001","77.648","0.001","75.687","0.001","1941.4","0.08","121","2","121","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H73 N P3 Re Si2 -","- C33 H73 N P3 Re Si2 -","- C66 H146 N2 P6 Re2 Si4 -","2","1","","Oleg V. Ozerov; Lori A. Watson; Maren Pink; Kenneth G. Caulton","Transformation of Acyclic Alkenes to Hydrido Carbynes by (PNPR)Re Complexes","Journal of the American Chemical Society","2004","126","","6363","6378","10.1021/ja031617u","","","0.71073","MoKα","","0.0407","0.0311","","","0.0588","0.0618","","","","","","1.019","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4112577","18.02","0.004","22.933","0.005","9.7801","0.0014","90","","108.509","0.011","90","","3832.6","1.3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H40 Cl2 N4 O2 -","- C43 H40 Cl2 N4 O2 -","- C172 H160 Cl8 N16 O8 -","4","0.5","","Shih-Sheng Sun; Charlotte L. Stern; SonBinh T. Nguyen; Joseph T. Hupp","Directed Assembly of Transition-Metal-Coordinated Molecular Loops and Squares from Salen-Type Components. Examples of Metalation-Controlled Structural Conversion","Journal of the American Chemical Society","2004","126","","6314","6326","10.1021/ja037378s","","","0.71073","MoKα","","0.0681","0.0542","","","0.1468","0.1625","","","","","","1.038","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112578","11.323","0.003","21.521","0.009","26.931","0.01","90","","91.53","0.03","90","","6560","4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C212 H316 F24 N20 O40 P8 Pt4 S8 -","- C212 H310 F24 N20 O40 P8 Pt4 S8 -","- C212 H310 F24 N20 O40 P8 Pt4 S8 -","1","0.25","","Shih-Sheng Sun; Charlotte L. Stern; SonBinh T. Nguyen; Joseph T. Hupp","Directed Assembly of Transition-Metal-Coordinated Molecular Loops and Squares from Salen-Type Components. Examples of Metalation-Controlled Structural Conversion","Journal of the American Chemical Society","2004","126","","6314","6326","10.1021/ja037378s","","","0.71073","MoKα","","0.1208","0.0877","","","0.2265","0.2453","","","","","","1.098","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112579","14.0905","0.0015","18.562","0.002","20.621","0.002","81.74","0.002","79.988","0.002","85.836","0.002","5249.9","0.9","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H63 F3 N4 O6 P2 Pt S -","- C55 H63 F3 N4 O6 P2 Pt S -","- C110 H126 F6 N8 O12 P4 Pt2 S2 -","2","1","","Shih-Sheng Sun; Charlotte L. Stern; SonBinh T. Nguyen; Joseph T. Hupp","Directed Assembly of Transition-Metal-Coordinated Molecular Loops and Squares from Salen-Type Components. Examples of Metalation-Controlled Structural Conversion","Journal of the American Chemical Society","2004","126","","6314","6326","10.1021/ja037378s","","","0.71073","MoKα","","0.1682","0.1064","","","0.2788","0.3373","","","","","","1.005","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112580","13.163","0.002","22.472","0.004","24.798","0.004","94.923","0.003","101.5","0.002","93.843","0.003","7135","2","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C104.5 H122 F10.5 N9.5 O19 P4 Pt2 S3.5 -","- C104.5 H122 F10.5 N9.5 O19 P4 Pt2 S3.5 -","- C209 H244 F21 N19 O38 P8 Pt4 S7 -","2","1","","Shih-Sheng Sun; Charlotte L. Stern; SonBinh T. Nguyen; Joseph T. Hupp","Directed Assembly of Transition-Metal-Coordinated Molecular Loops and Squares from Salen-Type Components. Examples of Metalation-Controlled Structural Conversion","Journal of the American Chemical Society","2004","126","","6314","6326","10.1021/ja037378s","","","0.71073","MoKα","","0.1305","0.0739","","","0.1803","0.1993","","","","","","0.9","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112581","7.192","0.004","9.719","0.005","10.504","0.006","74.203","0.018","87.53","0.03","75.58","0.02","684","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","difluoro[2-(phenylazo)phenyl]-2-propenylsilane","","","- C15 H14 F2 N2 Si -","- C15 H14 F2 N2 Si -","- C30 H28 F4 N4 Si2 -","2","1","","Naokazu Kano; Masaki Yamamura; Takayuki Kawashima","Reactivity Control of an Allylsilane Bearing a 2-(Phenylazo)phenyl Group by Photoswitching of the Coordination Number of Silicon","Journal of the American Chemical Society","2004","126","","6250","6251","10.1021/ja037404m","","","0.7107","MoKα","","0.0462","0.0382","","","0.0878","0.0921","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112582","9.522","0.005","11.167","0.005","20.225","0.01","86.45","0.03","76.75","0.03","67.67","0.02","1935.6","1.7","120","2","120","2","","","","","","","","8","P -1","-P 1","2","potassium tetrafluoro{2-[2-phenyl-1-(2-propenyl)-hydrazino]phenyl}silicate, 18-crown-6","","","- C29 H41 Cl6 F4 K N2 O6 Si -","- C29 H41 Cl6 F4 K N2 O6 Si -","- C58 H82 Cl12 F8 K2 N4 O12 Si2 -","2","1","","Naokazu Kano; Masaki Yamamura; Takayuki Kawashima","Reactivity Control of an Allylsilane Bearing a 2-(Phenylazo)phenyl Group by Photoswitching of the Coordination Number of Silicon","Journal of the American Chemical Society","2004","126","","6250","6251","10.1021/ja037404m","","","0.7107","MoKα","","0.042","0.0378","","","0.0859","0.0883","","","","","","1.077","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112583","19.02","0.01","25.03","0.02","24.65","0.02","90","","97.86","0.02","90","","11625","15","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","final110K","","","- C108 H122 Co3 Fe2 N24 O13 -","- C108 H96 Co3 Fe2 N24 O13 -","- C432 H384 Co12 Fe8 N96 O52 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Sieber, Andreas; José Ramón Galán-Mascarós; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in the Discrete Cyanide-Bridged Complex {[Co(tmphen)2]3[Fe(CN)6]2}","Journal of the American Chemical Society","2004","126","","6222","6223","10.1021/ja039451k","","","0.71073","MoKα","","0.1219","0.076","","","0.2058","0.2358","","","","","","1.035","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112584","19.261","0.004","25.123","0.005","24.782","0.005","90","","97.74","0.03","90","","11883","4","210","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","final220K","","","- C108 H114 Co3 Fe2 N24 O9 -","- C108 H96 Co3 Fe2 N24 O8.99 -","- C432 H384 Co12 Fe8 N96 O35.96 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Sieber, Andreas; José Ramón Galán-Mascarós; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in the Discrete Cyanide-Bridged Complex {[Co(tmphen)2]3[Fe(CN)6]2}","Journal of the American Chemical Society","2004","126","","6222","6223","10.1021/ja039451k","","","0.71073","MoKα","","0.1076","0.0765","","","0.2234","0.2545","","","","","","1.034","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112585","14.066","0.003","15.48","0.003","16.147","0.003","90","","92.652","0.004","90","","3512.1","1.2","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 La N3 -","- C36 H54 La N3 -","- C144 H216 La4 N12 -","4","1","","Garth R. Giesbrecht; John C. Gordon; David L. Clark; P. Jeffrey Hay; Brian L. Scott; C. Drew Tait","A Comparative Study of π-Arene-Bridged Lanthanum Arylamide and Aryloxide Dimers. Solution Behavior, Exchange Mechanisms, and X-ray Crystal Structures of La2(NH-2,6-iPr2C6H3)6, La(NH-2,6-iPr2C6H3)3(THF)3, and La(NH-2,6-iPr2C6H3)3(py)2","Journal of the American Chemical Society","2004","126","","6387","6401","10.1021/ja0398262","","","0.71073","MoKα","","0.0644","0.0452","","","0.0758","0.0792","","","","","","1.223","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112586","13.137","0.004","16.922","0.004","13.442","0.003","90","","119.253","0.003","90","","2607.1","1.2","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H86 La N3 O4 -","- C48 H78 La N3 O3 -","- C96 H156 La2 N6 O6 -","2","1","","Garth R. Giesbrecht; John C. Gordon; David L. Clark; P. Jeffrey Hay; Brian L. Scott; C. Drew Tait","A Comparative Study of π-Arene-Bridged Lanthanum Arylamide and Aryloxide Dimers. Solution Behavior, Exchange Mechanisms, and X-ray Crystal Structures of La2(NH-2,6-iPr2C6H3)6, La(NH-2,6-iPr2C6H3)3(THF)3, and La(NH-2,6-iPr2C6H3)3(py)2","Journal of the American Chemical Society","2004","126","","6387","6401","10.1021/ja0398262","","","0.71073","MoKα","","0.0554","0.048","","","0.0956","0.0973","","","","","","1.274","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112587","16.013","0.006","14.159","0.005","21.202","0.006","90","","112.122","0.011","90","","4453","3","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H64 La N5 -","- C46 H64 La N5 -","- C184 H256 La4 N20 -","4","2","","Garth R. Giesbrecht; John C. Gordon; David L. Clark; P. Jeffrey Hay; Brian L. Scott; C. Drew Tait","A Comparative Study of π-Arene-Bridged Lanthanum Arylamide and Aryloxide Dimers. Solution Behavior, Exchange Mechanisms, and X-ray Crystal Structures of La2(NH-2,6-iPr2C6H3)6, La(NH-2,6-iPr2C6H3)3(THF)3, and La(NH-2,6-iPr2C6H3)3(py)2","Journal of the American Chemical Society","2004","126","","6387","6401","10.1021/ja0398262","","","0.71073","MoKα","","0.0298","0.0279","","","0.0719","0.0727","","","","","","1.164","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112588","51.9205","0.0008","4.4025","0.0001","14.5118","0.0003","90","","101.48","0.001","90","","3250.75","0.11","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Cs Bi4 Te6","","","- Bi4 Cs Te6 -","- Bi4 Cs Te6 -","- Bi32 Cs8 Te48 -","8","1","","Duck-Young Chung; Tim P. Hogan; Melissa Rocci-Lane; Paul Brazis; John R. Ireland; Carl R. Kannewurf; Marina Bastea; Ctirad Uher; Mercouri G. Kanatzidis","A New Thermoelectric Material: CsBi4Te6","Journal of the American Chemical Society","2004","126","","6414","6428","10.1021/ja039885f","","","0.71069","MoKα","","0.0585","0.0434","","0.1127","0.1017","","","","1.05","1.096","1.096","","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112589","8.4206","0.0014","11.8965","0.0019","20.622","0.003","90","","90","","90","","2065.8","0.6","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C92 H100 N4 O20 -","4","1","","Leleti Rajender Reddy; P. Saravanan; E. J. Corey","A Simple Stereocontrolled Synthesis of Salinosporamide A","Journal of the American Chemical Society","2004","126","","6230","6231","10.1021/ja048613p","","","0.71073","MoKα","","0.1193","0.0411","","","0.0441","0.0544","","","","","","0.774","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112590","26.3682","0.0017","14.3569","0.0009","32.485","0.002","90","","90","","90","","12297.7","1.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","{[PhBPiPr3]Fe}2(?-N2)","","","- C54 H97 B2 Fe2 N2 P6 -","- C54 H97 B2 Fe2 N2 P6 -","- C432 H776 B16 Fe16 N16 P48 -","8","2","","Theodore A. Betley; Jonas C. Peters","A Tetrahedrally Coordinated L3Fe-Nx Platform that Accommodates Terminal Nitride (FeIV\τbN) and Dinitrogen (FeI-N2-FeI) Ligands","Journal of the American Chemical Society","2004","126","","6252","6254","10.1021/ja048713v","","","0.71073","MoKα","","0.0758","0.0504","","","0.0973","0.1019","","","","","","1.645","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112591","11.024","0.0009","13.4574","0.0011","13.7499","0.0011","87.377","0.002","75.603","0.001","83.956","0.002","1964.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[PhBPiPr3]FeNPh2","","","- C39 H63 B Fe N P3 -","- C39 H63 B Fe N P3 -","- C78 H126 B2 Fe2 N2 P6 -","2","1","","Theodore A. Betley; Jonas C. Peters","A Tetrahedrally Coordinated L3Fe-Nx Platform that Accommodates Terminal Nitride (FeIV\τbN) and Dinitrogen (FeI-N2-FeI) Ligands","Journal of the American Chemical Society","2004","126","","6252","6254","10.1021/ja048713v","","","0.71073","MoKα","","0.0841","0.0448","","","0.0797","0.0906","","","","","","1.273","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112592","10.201","0.002","14.015","0.003","14.074","0.003","86.764","0.004","76.115","0.004","69.759","0.004","1831.9","0.7","90","2","90","2","","","","","","","","6","P -1","-P 1","2","Fe(OEB)Cl.CHCl3","","","- C36 H44 Cl4 Fe N4 O2 -","- C36 H44 Cl4 Fe N4 O2 -","- C72 H88 Cl8 Fe2 N8 O4 -","2","1","","Khoi T. Nguyen; Sankar Prasad Rath; Lechosław Latos-Grażyński; Marilyn M. Olmstead; Alan L. Balch","Formation of a Highly Oxidized Iron Biliverdin Complex upon Treatment of a Five-Coordinate Verdoheme with Dioxygen","Journal of the American Chemical Society","2004","126","","6210","6211","10.1021/ja049222d","","","0.71073","MoKα","","0.0691","0.0447","","","0.1142","0.1256","","","","","","1.02","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112593","5.0446","0.0008","9.8623","0.0016","31.428","0.005","90","","90","","90","","1563.6","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 N O7 -","- C12 H23 N O7 -","- C48 H92 N4 O28 -","4","1","","K. C. Nicolaou; Scott A. Snyder; Annie Z. Nalbandian; Deborah A. Longbottom","A New Method for the Stereoselective Synthesis of α- and β-Glycosylamines Using the Burgess Reagent","Journal of the American Chemical Society","2004","126","","6234","6235","10.1021/ja049293c","","","0.71073","MoKα","","0.101","0.0529","","","0.1169","0.1377","","","","","","1.023","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112594","8.4206","0.0009","10.0277","0.0011","12.883","0.0014","98.302","0.002","92.386","0.002","110.468","0.002","1003.48","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H11 N O6 S -","- C7 H11 N O6 S -","- C28 H44 N4 O24 S4 -","4","2","","K. C. Nicolaou; Scott A. Snyder; Annie Z. Nalbandian; Deborah A. Longbottom","A New Method for the Stereoselective Synthesis of α- and β-Glycosylamines Using the Burgess Reagent","Journal of the American Chemical Society","2004","126","","6234","6235","10.1021/ja049293c","","","0.71073","MoKα","","0.066","0.0527","","","0.1336","0.1437","","","","","","1.078","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112595","9.3171","0.0002","11.5016","0.0003","20.4556","0.0007","80.867","0.005","80.186","0.005","77.429","0.005","2091.27","0.11","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C55 H31 N7 O7 -","- C55 H30 N7 O7 -","- C110 H60 N14 O14 -","2","1","","Anne Petitjean; Richard G. Khoury; Nathalie Kyritsakas; Jean-Marie Lehn","Dynamic Devices. Shape Switching and Substrate Binding in Ion-Controlled Nanomechanical Molecular Tweezers","Journal of the American Chemical Society","2004","126","","6637","6647","10.1021/ja031915r","","","0.71073","Mo-Kα","","0.148","0.071","","0.246","","0.083","","","1.395","","","1.123","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112596","26.825","","11.593","","9.322","","90","","93.6","","90","","2893.26","","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 N6 -","- C40 H24 N6 -","- C160 H96 N24 -","4","0.5","","Anne Petitjean; Richard G. Khoury; Nathalie Kyritsakas; Jean-Marie Lehn","Dynamic Devices. Shape Switching and Substrate Binding in Ion-Controlled Nanomechanical Molecular Tweezers","Journal of the American Chemical Society","2004","126","","6637","6647","10.1021/ja031915r","","","0.71073","MoKα","","0.1305","0.0551","","","0.1391","0.1739","","","","","","0.839","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112597","11.161","","13.733","","14.107","","67.5","","74.02","","71.86","","1868.09","","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H27 F3 N6 O3 S -","- C43 H27 F3 N6 O4 S -","- C86 H54 F6 N12 O8 S2 -","2","1","","Anne Petitjean; Richard G. Khoury; Nathalie Kyritsakas; Jean-Marie Lehn","Dynamic Devices. Shape Switching and Substrate Binding in Ion-Controlled Nanomechanical Molecular Tweezers","Journal of the American Chemical Society","2004","126","","6637","6647","10.1021/ja031915r","","","0.71073","MoKα","","0.2789","0.1739","","","0.3292","0.3604","","","","","","1.697","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112598","13.31","0.003","13.49","0.003","16.66","0.003","81.15","0.03","74.62","0.03","80.74","0.03","2827.1","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H26 Cl3 F6 N4 O4 -","- C29.5 H22.5 Cl2.995 F3 N3 O2.5 -","- C118 H90 Cl11.98 F12 N12 O10 -","4","2","","Anne Petitjean; Richard G. Khoury; Nathalie Kyritsakas; Jean-Marie Lehn","Dynamic Devices. Shape Switching and Substrate Binding in Ion-Controlled Nanomechanical Molecular Tweezers","Journal of the American Chemical Society","2004","126","","6637","6647","10.1021/ja031915r","","","0.71073","MoKα","","0.1371","0.1171","","","0.3123","0.3282","","","","","","1.08","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112599","13.2654","0.0002","18.726","0.0003","19.6692","0.0004","90","","90","","90","","4885.98","0.15","173","","173","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C51 H35 F6 N7 O8 S2 Zn -","- C51 H35 F6 N7 O8 S2 Zn -","- C204 H140 F24 N28 O32 S8 Zn4 -","4","0.5","","Anne Petitjean; Richard G. Khoury; Nathalie Kyritsakas; Jean-Marie Lehn","Dynamic Devices. Shape Switching and Substrate Binding in Ion-Controlled Nanomechanical Molecular Tweezers","Journal of the American Chemical Society","2004","126","","6637","6647","10.1021/ja031915r","","","0.71073","Mo-Kα","","0.095","0.033","","0.516","","0.056","","","1.251","","","1.046","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112600","13.0955","0.0002","13.1668","0.0002","15.9645","0.0003","75.685","0.005","84.946","0.005","64.653","0.005","2409.96","0.13","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C55 H35 F6 N7 O7 S2 Zn -","- C55 H35 F6 N7 O7 S2 Zn -","- C110 H70 F12 N14 O14 S4 Zn2 -","2","1","","Anne Petitjean; Richard G. Khoury; Nathalie Kyritsakas; Jean-Marie Lehn","Dynamic Devices. Shape Switching and Substrate Binding in Ion-Controlled Nanomechanical Molecular Tweezers","Journal of the American Chemical Society","2004","126","","6637","6647","10.1021/ja031915r","","","0.71073","Mo-Kα","","0.104","0.037","","0.167","","0.039","","","1.356","","","1.015","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112601","36.15","0.09","10.09","0.05","20.68","0.06","90","","98.94","0.04","90","","7451","5","113","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H78 N4 O4 Pd -","- C92 H72 N4 O4 Pd -","- C368 H288 N16 O16 Pd4 -","4","0.5","","Tetsuo Iwasawa; Makoto Tokunaga; Yasushi Obora; Yasushi Tsuji","Homogeneous Palladium Catalyst Suppressing Pd Black Formation in Air Oxidation of Alcohols","Journal of the American Chemical Society","2004","126","","6554","6555","10.1021/ja031936l","","","0.7107","MoKα","","","0.067","","","","0.093","","","","","","1.373","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112602","25.2946","0.0013","38.864","0.0011","50.4327","0.0019","90","","93.234","0.002","90","","49499","3","100","2","100","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C378 H475 F24 N8 O76.5 P8 Pt4 S8 -","- C353 H304 F24 N8 O64 P8 Pt4 S8 -","- C1412 H1216 F96 N32 O256 P32 Pt16 S32 -","4","1","","Roberta Pinalli; Veronica Cristini; Valerio Sottili; Silvano Geremia; Mara Campagnolo; Andrea Caneschi; Enrico Dalcanale","Cavitand-Based Nanoscale Coordination Cages","Journal of the American Chemical Society","2004","126","","6516","6517","10.1021/ja038694+","","","1.2","synchrotron","","0.1319","0.11","","","0.2752","0.2971","","","","","","1.159","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112603","10.495","0.0005","15.2421","0.0007","14.1054","0.0006","90","","94.715","0.001","90","","2248.75","0.18","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 B N7 O2 P W -","- C19 H27 B N7 O2 P W -","- C76 H108 B4 N28 O8 P4 W4 -","4","1","","Joseph M. Keane; Mahendra D. Chordia; Christopher J. Mocella; Michal Sabat; Carl O. Trindle; W. Dean Harman","Transition Metal-Stabilized Arenium Cations: Protonation of Arenes Dihapto-Coordinated to π-Basic Metal Fragments","Journal of the American Chemical Society","2004","126","","6806","6815","10.1021/ja039824h","","","0.71073","MoKα","","0.0358","0.0269","","","0.0573","0.0594","","","","","","0.956","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112604","12.275","0.001","12.9206","0.001","14.7993","0.0012","90","","109.285","0.002","90","","2215.5","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 B N8 O2 Re -","- C21 H24 B N8 O2 Re -","- C84 H96 B4 N32 O8 Re4 -","4","1","","Joseph M. Keane; Mahendra D. Chordia; Christopher J. Mocella; Michal Sabat; Carl O. Trindle; W. Dean Harman","Transition Metal-Stabilized Arenium Cations: Protonation of Arenes Dihapto-Coordinated to π-Basic Metal Fragments","Journal of the American Chemical Society","2004","126","","6806","6815","10.1021/ja039824h","","","0.71073","MoKα","","0.0379","0.0279","","","0.0589","0.061","","","","","","0.955","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112605","35.3637","0.0012","35.3637","0.0012","9.8575","0.0005","90","","90","","120","","10676.1","0.7","153","2","153","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C34 H44 B2 N16 O2 Re2 -","- C34 H44 B2 N16 O2 Re2 -","- C306 H396 B18 N144 O18 Re18 -","9","0.5","","Joseph M. Keane; Mahendra D. Chordia; Christopher J. Mocella; Michal Sabat; Carl O. Trindle; W. Dean Harman","Transition Metal-Stabilized Arenium Cations: Protonation of Arenes Dihapto-Coordinated to π-Basic Metal Fragments","Journal of the American Chemical Society","2004","126","","6806","6815","10.1021/ja039824h","","","0.71073","MoKα","","0.0352","0.0285","","","0.077","0.0791","","","","","","0.97","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112606","53.796","0.003","15.2193","0.0007","29.8943","0.0013","90","","109.909","0.001","90","","23012.8","1.9","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","1.(PF6)2.3C6H6","","","- C126 H87 Au F12 N6 P8 Pd Tl -","- C126 H87 Au F12 N6 P8 Pd Tl -","- C1008 H696 Au8 F96 N48 P64 Pd8 Tl8 -","8","1","","Vincent J. Catalano; Mark A. Malwitz","Mixed-Metal Metallocryptands. Short Metal-Metal Separations Strengthened by a Dipolar Interaction","Journal of the American Chemical Society","2004","126","","6560","6561","10.1021/ja048800n","","","0.71073","MoKα","","0.0554","0.0493","","","0.1409","0.1436","","","","","","1.415","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112607","17.1939","0.0005","30.6021","0.0008","20.6077","0.0006","90","","90.02","0.001","90","","10843.1","0.5","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","1.(PF6)2.2CHCl3.2CH2Cl2","","","- C112 H84 Au Cl10 F12 N6 P8 Pd Tl -","- C112 H84 Au Cl10 F12 N6 P8 Pd Tl -","- C448 H336 Au4 Cl40 F48 N24 P32 Pd4 Tl4 -","4","1","","Vincent J. Catalano; Mark A. Malwitz","Mixed-Metal Metallocryptands. Short Metal-Metal Separations Strengthened by a Dipolar Interaction","Journal of the American Chemical Society","2004","126","","6560","6561","10.1021/ja048800n","","","0.71073","MoKα","","0.1605","0.1572","","","0.3925","0.393","","","","","","5.671","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112608","17.5229","0.0013","29.432","0.002","19.2201","0.0014","90","","92.479","0.001","90","","9903.2","1.2","123","2","123","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","1.(BF4)2.2.5CH2Cl2","","","- C110.5 H84 Au B2 Cl5 F8 N6 P6 Pd Tl -","- C110.5 H84 Au B2 Cl5 F8 N6 P6 Pd Tl -","- C442 H336 Au4 B8 Cl20 F32 N24 P24 Pd4 Tl4 -","4","1","","Vincent J. Catalano; Mark A. Malwitz","Mixed-Metal Metallocryptands. Short Metal-Metal Separations Strengthened by a Dipolar Interaction","Journal of the American Chemical Society","2004","126","","6560","6561","10.1021/ja048800n","","","0.71073","MoKα","","0.0887","0.0555","","","0.1421","0.1583","","","","","","1.179","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112609","27.3585","0.0014","26.8697","0.0015","29.4776","0.0016","90","","90","","90","","21669","2","123","2","123","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","1.Cl2.4.5CH2Cl2","","","- C112.5 H87 Au Cl11 N6 O0 P6 Pd Tl -","- C112.5 H87 Au Cl11 N6 P6 Pd Tl -","- C900 H696 Au8 Cl88 N48 P48 Pd8 Tl8 -","8","1","","Vincent J. Catalano; Mark A. Malwitz","Mixed-Metal Metallocryptands. Short Metal-Metal Separations Strengthened by a Dipolar Interaction","Journal of the American Chemical Society","2004","126","","6560","6561","10.1021/ja048800n","","","0.71073","MoKα","","0.0858","0.0593","","","0.167","0.1827","","","","","","1.121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112610","19.1672","0.001","30.7091","0.0017","19.2514","0.0011","90","","95.584","0.002","90","","11277.7","1.1","100","2","100","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","2.(PF6)2.3CHCl3.6H2O","","","- C111 H93 Au Cl9 F12 N6 O6 P8 Pt Tl -","- C111 H93 Au Cl9 F12 N6 O6 P8 Pt Tl -","- C444 H372 Au4 Cl36 F48 N24 O24 P32 Pt4 Tl4 -","4","1","","Vincent J. Catalano; Mark A. Malwitz","Mixed-Metal Metallocryptands. Short Metal-Metal Separations Strengthened by a Dipolar Interaction","Journal of the American Chemical Society","2004","126","","6560","6561","10.1021/ja048800n","","","0.71073","MoKα","","0.072","0.0686","","","0.1606","0.1624","","","","","","1.21","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112611","19.187","0.002","19.87","0.002","11.6382","0.0014","90","","93.822","0.004","90","","4427.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H82 Fe N9 O3 S -","- C37 H82 Fe N9 O3 S -","- C148 H328 Fe4 N36 O12 S4 -","4","1","","Peter L. Larsen; Rajeev Gupta; Douglas R. Powell; Andrew S. Borovik","Chalcogens as Terminal Ligands to Iron: Synthesis and Structure of Complexes with FeIII-S and FeIII-Se Motifs","Journal of the American Chemical Society","2004","126","","6522","6523","10.1021/ja049118w","","","0.71073","MoKα","","0.1018","0.0767","","","0.2219","0.2503","","","","","","1.025","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112612","19.11","0.002","19.85","0.002","11.8266","0.0016","90","","94.027","0.004","90","","4475.1","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H82 Fe N9 O3 Se -","- C37 H82 Fe N9 O3 Se -","- C148 H328 Fe4 N36 O12 Se4 -","4","1","","Peter L. Larsen; Rajeev Gupta; Douglas R. Powell; Andrew S. Borovik","Chalcogens as Terminal Ligands to Iron: Synthesis and Structure of Complexes with FeIII-S and FeIII-Se Motifs","Journal of the American Chemical Society","2004","126","","6522","6523","10.1021/ja049118w","","","0.71073","MoKα","","0.1108","0.083","","","0.237","0.2594","","","","","","1.022","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112613","8.724","0.0003","8.724","0.0003","33.476","0.002","90","","90","","120","","2206.46","0.17","173.2","","","","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C16 H42 Cl2 Co N4 O14 -","- C16 H42 Cl2 Co N4 O14 -","- C48 H126 Cl6 Co3 N12 O42 -","3","0.5","","Hiroyuki Miyake; Kana Yoshida; Hideki Sugimoto; Hiroshi Tsukube","Dynamic Helicity Inversion by Achiral Anion Stimulus in Synthetic Labile Cobalt(II) Complex","Journal of the American Chemical Society","2004","126","","6524","6525","10.1021/ja049130o","","","0.7107","MoKα","","","0.0451","","","","0.1399","","","","","","1.199","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112614","7.7333","0.0005","11.6472","0.0008","32.483","0.002","90","","90","","90","","2925.8","0.3","123.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H41 Co N7 O8 -","- C20 H41 Co N7 O8 -","- C80 H164 Co4 N28 O32 -","4","1","","Hiroyuki Miyake; Kana Yoshida; Hideki Sugimoto; Hiroshi Tsukube","Dynamic Helicity Inversion by Achiral Anion Stimulus in Synthetic Labile Cobalt(II) Complex","Journal of the American Chemical Society","2004","126","","6524","6525","10.1021/ja049130o","","","0.7107","MoKα","","","0.0495","","","","0.1027","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112615","23.9746","0.0016","11.6981","0.0007","25.186","0.002","90","","107.243","0.004","90","","6746.1","0.8","91","2","91","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Dipp*Ge(NSiMe3)]2.n-hexane","","","- C72 H106 Ge2 N2 Si2 -","- C72 H92 Ge2 N2 Si2 -","- C288 H368 Ge8 N8 Si8 -","4","0.5","","Chunming Cui; Marcin Brynda; Marilyn M. Olmstead; Philip P. Power","Synthesis and Characterization of the Non-Kekulé, Singlet Biradicaloid Ar'Ge(μ-NSiMe3)2GeAr' (Ar' = 2,6-Dipp2C6H3, Dipp = 2,6-i-Pr2C6H3)","Journal of the American Chemical Society","2004","126","","6510","6511","10.1021/ja0492182","","","0.71073","MoKα","","0.0619","0.0385","","","0.092","0.1056","","","","","","1.062","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112616","11.98","0.003","13.445","0.004","14.468","0.005","87.5","0.01","87.78","0.01","65.182","0.009","2112.6","1.1","123.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C108 H76 F8 N8 -","- C108 H76 F8 N8 -","- C108 H76 F8 N8 -","1","0.5","","Azusa Kikuchi; Fumiyasu Iwahori; Jiro Abe","Definitive Evidence for the Contribution of Biradical Character in a Closed-Shell Molecule, Derivative of 1,4-Bis-(4,5-diphenylimidazol-2-ylidene)cyclohexa-2,5-diene","Journal of the American Chemical Society","2004","126","","6526","6527","10.1021/ja049423h","","","0.7107","MoKα","","","0.062","","","","0.0806","","","","","","1.404","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112617","16.249","0.002","16.659","0.002","16.959","0.002","90.301","0.002","108.949","0.002","107.42","0.002","4116","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","00173","","","- C84 H88 Br4 O4 -","- C84 H88 Br4 O4 -","- C168 H176 Br8 O8 -","2","1","","Suchada Rajca; Andrzej Rajca; Jirawat Wongsriratanakul; Paul Butler; Sung-min Choi","Organic Spin Clusters. A Dendritic-Macrocyclic Poly(arylmethyl) Polyradical with Very High Spin of S= 10 and Its Derivatives: Synthesis, Magnetic Studies, and Small-Angle Neutron Scattering","Journal of the American Chemical Society","2004","126","","6972","6986","10.1021/ja031548j","","","0.71073","MoKα","","0.0863","0.0415","","","0.0847","0.0959","","","","","","0.968","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4112618","11.2997","0.0005","21.8937","0.0009","20.9096","0.0009","90","","101.316","0.001","90","","5072.3","0.4","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C94.5 H14 La S5 -","- C94.5 H14 La S5 -","- C378 H56 La4 S20 -","4","1","","Yutaka Maeda; Yoichiro Matsunaga; Takatsugu Wakahara; Satomi Takahashi; Takahiro Tsuchiya; Midori O. Ishitsuka; Tadashi Hasegawa; Takeshi Akasaka; Michael T. H. Liu; Kisato Kokura; Ernst Horn; Kenji Yoza; Tatsuhisa Kato; Shingo Okubo; Kaoru Kobayashi; Shigeru Nagase; Kazunori Yamamoto","Isolation and Characterization of a Carbene Derivative of La@C82","Journal of the American Chemical Society","2004","126","","6858","6859","10.1021/ja0316115","","","0.71073","MoKα","","0.1083","0.0903","","","0.23","0.2439","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112619","11.3213","0.0005","21.9299","0.0009","20.9749","0.0009","90","","101.184","0.001","90","","5108.6","0.4","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C94.5 H14 La S5 -","- C94.5 H14 La S5 -","- C378 H56 La4 S20 -","4","1","","Yutaka Maeda; Yoichiro Matsunaga; Takatsugu Wakahara; Satomi Takahashi; Takahiro Tsuchiya; Midori O. Ishitsuka; Tadashi Hasegawa; Takeshi Akasaka; Michael T. H. Liu; Kisato Kokura; Ernst Horn; Kenji Yoza; Tatsuhisa Kato; Shingo Okubo; Kaoru Kobayashi; Shigeru Nagase; Kazunori Yamamoto","Isolation and Characterization of a Carbene Derivative of La@C82","Journal of the American Chemical Society","2004","126","","6858","6859","10.1021/ja0316115","","","0.71073","MoKα","","0.1229","0.0896","","","0.2269","0.2488","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112620","11.3249","0.0005","21.9882","0.001","21.0171","0.001","90","","100.935","0.001","90","","5138.5","0.4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C94.5 H14 La S5 -","- C94.5 H14 La S5 -","- C378 H56 La4 S20 -","4","1","","Yutaka Maeda; Yoichiro Matsunaga; Takatsugu Wakahara; Satomi Takahashi; Takahiro Tsuchiya; Midori O. Ishitsuka; Tadashi Hasegawa; Takeshi Akasaka; Michael T. H. Liu; Kisato Kokura; Ernst Horn; Kenji Yoza; Tatsuhisa Kato; Shingo Okubo; Kaoru Kobayashi; Shigeru Nagase; Kazunori Yamamoto","Isolation and Characterization of a Carbene Derivative of La@C82","Journal of the American Chemical Society","2004","126","","6858","6859","10.1021/ja0316115","","","0.71073","MoKα","","0.153","0.1452","","","0.3389","0.3448","","","","","","1.203","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112621","11.318","0.007","11.675","0.007","13.253","0.008","93.94","0.02","97.22","0.02","106.93","0.02","1651.8","1.8","297","2","297","2","","","","","","","","5","P -1","-P 1","2","CpRuH(PP^Ph^PF)","","","- C42 H38 Fe P2 Ru -","- C42 H38 Fe P2 Ru -","- C84 H76 Fe2 P4 Ru2 -","2","1","","Ester Cayuela; Félix A. Jalón; Blanca R. Manzano; Gustavo Espino; Walter Weissensteiner; Kurt Mereiter","Monocyclopentadienylhydride Derivatives of Ruthenium: Stereoselective Proton Transfer and Proton-Hydride Exchange in an Extremely Short Dihydrogen Bond","Journal of the American Chemical Society","2004","126","","7049","7062","10.1021/ja031926k","","","0.71073","MoKα","","0.0431","0.0329","","","0.0793","0.088","","","","","","1.048","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112622","11.35","0.005","11.543","0.005","16.084","0.007","82.07","0.02","88.66","0.02","62.05","0.02","1841.6","1.4","297","2","297","2","","","","","","","","7","P -1","-P 1","2","CpRu(CF3CO2)(PP^Ph^PF)","","","- C44 H37 F3 Fe O2 P2 Ru -","- C44 H37 F3 Fe O2 P2 Ru -","- C88 H74 F6 Fe2 O4 P4 Ru2 -","2","1","","Ester Cayuela; Félix A. Jalón; Blanca R. Manzano; Gustavo Espino; Walter Weissensteiner; Kurt Mereiter","Monocyclopentadienylhydride Derivatives of Ruthenium: Stereoselective Proton Transfer and Proton-Hydride Exchange in an Extremely Short Dihydrogen Bond","Journal of the American Chemical Society","2004","126","","7049","7062","10.1021/ja031926k","","","0.71073","MoKα","","0.0449","0.0328","","","0.083","0.0901","","","","","","1.016","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112623","10.3814","0.0002","18.4524","0.0003","30.1861","0.0007","90","","92.957","0.001","90","","5774.8","0.2","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 Br2 Ir N2 O2 S2 -","- C31 H21 Br2 Ir N2 O2 S2 -","- C248 H168 Br16 Ir8 N16 O16 S16 -","8","2","","Albertus J. Sandee; Charlotte K. Williams; Nicholas R. Evans; John E. Davies; Clare E. Boothby; Anna Köhler; Richard H. Friend; Andrew B. Holmes","Solution-Processible Conjugated Electrophosphorescent Polymers","Journal of the American Chemical Society","2004","126","","7041","7048","10.1021/ja039445o","","","0.71073","MoKα","","0.103","0.0787","","","0.2","0.2204","","","","","","1.219","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112624","9.8665","0.0015","12.1832","0.0018","16.897","0.003","90","","90","","90","","2031.1","0.6","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O -","- C25 H25 N O -","- C100 H100 N4 O4 -","4","1","","Jason J. Shiers; Michael Shipman; Jerome F. Hayes; Alexandra M. Z. Slawin","Rare Example of Nucleophilic Substitution at Vinylic Carbon with Inversion: Mechanism of Methyleneaziridine Formation by Sodium Amide Induced Ring Closure Revisited","Journal of the American Chemical Society","2004","126","","6868","6869","10.1021/ja0482684","","","0.71073","MoKα","","0.0506","0.0368","","","0.0763","0.0812","","","","","","0.99","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112625","7.4715","0.0008","11.4568","0.0012","21.543","0.002","90","","94.321","0.002","90","","1838.8","0.3","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O -","- C24 H23 N O -","- C96 H92 N4 O4 -","4","1","","Jason J. Shiers; Michael Shipman; Jerome F. Hayes; Alexandra M. Z. Slawin","Rare Example of Nucleophilic Substitution at Vinylic Carbon with Inversion: Mechanism of Methyleneaziridine Formation by Sodium Amide Induced Ring Closure Revisited","Journal of the American Chemical Society","2004","126","","6868","6869","10.1021/ja0482684","","","0.71073","MoKα","","0.0383","0.0331","","","0.0788","0.0821","","","","","","1.037","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112626","19.139","0.003","19.139","0.003","18.5941","0.0013","90","","90","","120","","5898.5","1.4","170","2","170","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C66 H126 N6 O42 U3 -","- C66 H108 N6 O42 U3 -","- C132 H216 N12 O84 U6 -","2","0.166667","","Pierre Thuéry; Claude Villiers; Joël Jaud; Michel Ephritikhine; Bernardo Masci","Uranyl-Based Metallamacrocycles: Tri- and Tetranuclear Complexes with (2R,3R,4S,5S)-Tetrahydrofurantetracarboxylic Acid","Journal of the American Chemical Society","2004","126","","6838","6839","10.1021/ja0485964","","","0.71073","MoKα","","0.1258","0.0644","","","0.1645","0.1998","","","","","","1.06","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112627","15.9353","0.0016","15.9353","0.0016","23.817","0.003","90","","90","","90","","6047.9","1.1","180","2","180","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C82 H156 N8 O48 U4 -","- C82 H144 N8 O48 U4 -","- C164 H288 N16 O96 U8 -","2","0.125","","Pierre Thuéry; Claude Villiers; Joël Jaud; Michel Ephritikhine; Bernardo Masci","Uranyl-Based Metallamacrocycles: Tri- and Tetranuclear Complexes with (2R,3R,4S,5S)-Tetrahydrofurantetracarboxylic Acid","Journal of the American Chemical Society","2004","126","","6838","6839","10.1021/ja0485964","","","0.71073","MoKα","","0.1254","0.0627","","","0.1323","0.1669","","","","","","1.071","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112628","17.3108","0.0007","18.1981","0.0009","40.7902","0.0013","90","","90","","90","","12849.9","0.9","293.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C152 H112.5 F6 N O4.25 P -","- C152 H102 F6 N O4.25 P -","- C608 H408 F24 N4 O17 P4 -","4","1","","Takashi Ooi; Daisuke Ohara; Masazumi Tamura; Keiji Maruoka","Design of New Chiral Phase-Transfer Catalysts with Dual Functions for Highly Enantioselective Epoxidation of α,β-Unsaturated Ketones","Journal of the American Chemical Society","2004","126","","6844","6845","10.1021/ja048600b","","","0.7107","MoKα","","","0.081","","","","0.12","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112629","18.0416","0.0003","24.7309","0.0002","18.9007","0.0003","90","","111.682","0.001","90","","7836.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78.5 H67 Cl5 O Os P4 -","- C78.5 H63 Cl5 O Os P4 -","- C314 H252 Cl20 O4 Os4 P16 -","4","1","","Haiping Xia; Guomei He; Hong Zhang; Ting Bin Wen; Herman H. Y. Sung; Ian D. Williams; Guochen Jia","Osmabenzenes from the Reactions of HC\τbCCH(OH)C\τbCH with OsX2(PPh3)3 (X = Cl, Br)","Journal of the American Chemical Society","2004","126","","6862","6863","10.1021/ja0486871","","","0.71073","MoKα","","0.1948","0.0789","","","0.1704","0.2255","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112630","11.4923","0.0007","14.1998","0.0008","17.7994","0.001","94.335","0.001","95.037","0.001","104.761","0.001","2783.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H68.5 Cl5 O3.25 Os P5 -","- C51 H66 Cl5 O3.25 Os P5 -","- C102 H132 Cl10 O6.5 Os2 P10 -","2","1","","Haiping Xia; Guomei He; Hong Zhang; Ting Bin Wen; Herman H. Y. Sung; Ian D. Williams; Guochen Jia","Osmabenzenes from the Reactions of HC\τbCCH(OH)C\τbCH with OsX2(PPh3)3 (X = Cl, Br)","Journal of the American Chemical Society","2004","126","","6862","6863","10.1021/ja0486871","","","0.71073","MoKα","","0.0402","0.0321","","","0.0675","0.07","","","","","","0.982","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112631","14.077","0.004","15.061","0.004","22.746","0.006","80.518","0.004","84.853","0.004","66.374","0.004","4356","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[K-(2,2,2-crypt)]3(Si9)*8(NH3)","","- C54 H108 K3 N15 O18 Si9 -","- C54 H108 K3 N15 O18 Si9 -","- C108 H216 K6 N30 O36 Si18 -","2","1","","Jose M. Goicoechea; Slavi C. Sevov","Naked Deltahedral Silicon Clusters in Solution: Synthesis and Characterization of Si93- and Si52-","Journal of the American Chemical Society","2004","126","","6860","6861","10.1021/ja0488075","","","0.71073","MoKα","","0.134","0.0791","","","0.1685","0.1782","","","","","","1.308","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112632","18.127","0.003","19.439","0.004","23.32","0.004","86.515","0.003","88.861","0.004","87.718","0.004","8194","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[Rb-(2,2,2-crypt)]6(Si9)(Si9)*6.3(NH3)","","- C108 H216 N18.3 O36 Rb6 Si18 -","- C108 H216 N18.3 O36 Rb6 Si18 -","- C216 H432 N36.6 O72 Rb12 Si36 -","2","1","","Jose M. Goicoechea; Slavi C. Sevov","Naked Deltahedral Silicon Clusters in Solution: Synthesis and Characterization of Si93- and Si52-","Journal of the American Chemical Society","2004","126","","6860","6861","10.1021/ja0488075","","","0.71073","MoKα","","0.1564","0.077","","","0.1654","0.1885","","","","","","0.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112633","11.1627","0.0019","11.863","0.003","12.101","0.002","119.333","0.003","100.859","0.003","91.662","0.004","1358.1","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","","[Rb-(2,2,2-crypt)]2(Si5)*4(NH3)","","- C36 H72 N8 O12 Rb2 Si5 -","- C36 H72 N8 O12 Rb2 Si5 -","- C36 H72 N8 O12 Rb2 Si5 -","1","1","","Jose M. Goicoechea; Slavi C. Sevov","Naked Deltahedral Silicon Clusters in Solution: Synthesis and Characterization of Si93- and Si52-","Journal of the American Chemical Society","2004","126","","6860","6861","10.1021/ja0488075","","","0.71073","MoKα","","0.0931","0.0705","","","0.1713","0.1889","","","","","","1.005","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112634","13.6394","0.0011","14.8506","0.0011","22.7034","0.0018","86.614","0.004","79.222","0.003","79.168","0.003","4435.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66.5 H118 K3 N8.5 O18 Si9 -","- C66.5 H118 K3 N8.5 O18 Si9 -","- C133 H236 K6 N17 O36 Si18 -","2","1","","Jose M. Goicoechea; Slavi C. Sevov","Naked Deltahedral Silicon Clusters in Solution: Synthesis and Characterization of Si93- and Si52-","Journal of the American Chemical Society","2004","126","","6860","6861","10.1021/ja0488075","","","0.71073","MoKα","","0.1315","0.0653","","","0.135","0.1511","","","","","","0.83","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112635","17.31","0.002","16.038","0.002","19.006","0.003","90","","90.782","0.003","90","","5275.9","1.2","293","2","213","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Cr3(dpa)4(NCO)F]PF6,3CH2Cl2","","","- C44 H38 Cl6 Cr3 F7 N13 O P -","- C44 H38 Cl6 Cr3 F7 N13 O P -","- C176 H152 Cl24 Cr12 F28 N52 O4 P4 -","4","1","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0867","0.0521","","","0.1312","0.1514","","","","","","1.031","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112636","18.634","0.005","29.357","0.017","16.142","0.003","90","","90","","90","","8830","6","213","2","213","2","","","","","","","","5","P n a 21","P 2c -2n","33","Cr3(dpa)4Cl2, benzene","","","- C46 H38 Cl2 Cr3 N12 -","- C46 H38 Cl2 Cr3 N12 -","- C368 H304 Cl16 Cr24 N96 -","8","2","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0707","0.054","","","0.1203","0.1333","","","","","","1.14","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112637","18.475","0.0017","14.965","0.004","16.469","0.0013","90","","90","","90","","4553.3","1.3","213","2","213","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Cr3(dpa)4Cl2, toluene","","","- C47 H40 Cl2 Cr3 N12 -","- C47 H40 Cl2 Cr3 N12 -","- C188 H160 Cl8 Cr12 N48 -","4","1","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0646","0.0516","","","0.1158","0.1251","","","","","","1.075","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112638","12.9961","0.0016","14.1381","0.0008","11.3306","0.0013","90","","90","","90","","2081.9","0.4","213","2","213","2","","","","","","","","5","P n n 2","P 2 -2n","34","Cr3(dpa)4Cl2, CH2Cl2","","","- C41 H34 Cl4 Cr3 N12 -","- C41 H33 Cl4 Cr3 N12 -","- C82 H66 Cl8 Cr6 N24 -","2","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0533","0.0449","","","0.1078","0.1155","","","","","","1.079","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112639","16.1062","0.0009","15.8183","0.0009","17.0329","0.0009","90","","98.471","0.001","90","","4292.2","0.4","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cr3(dpa)4Cl2, Et2O","","","- C44 H42 Cl2 Cr3 N12 O -","- C44 H42 Cl2 Cr3 N12 O -","- C176 H168 Cl8 Cr12 N48 O4 -","4","1","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0998","0.0522","","","0.0913","0.1054","","","","","","0.992","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112640","19.1659","0.0006","19.1659","0.0006","16.0803","0.001","90","","90","","90","","5906.8","0.5","213","2","213","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","Cr3(depa)4Cl2 0.5hexane","","","- C59 H71 Cl2 Cr3 N12 -","- C59 H64 Cl2 Cr3 N12 -","- C236 H256 Cl8 Cr12 N48 -","4","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0388","0.0334","","","0.0919","0.0992","","","","","","1.097","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112641","17.9292","0.0012","17.9292","0.0012","21.828","0.003","90","","90","","90","","7016.7","1.2","213","2","213","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","[Cr3(depa)4Cl2]I3","","","- C56 H64 Cl2 Cr3 I3 N12 -","- C56 H64 Cl2 Cr3 I3 N12 -","- C224 H256 Cl8 Cr12 I12 N48 -","4","0.25","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.1044","0.0984","","","0.2526","0.2588","","","","","","1.088","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112642","28.0572","0.0019","10.1744","0.0007","22.8994","0.0016","90","","124.674","0.001","90","","5376","0.6","293","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Cr3(dpa)4(NCMe)2(PF6)2.2NCMe","","","- C48 H44 Cr3 F12 N16 P2 -","- C48 H44 Cr3 F12 N16 P2 -","- C192 H176 Cr12 F48 N64 P8 -","4","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0367","0.032","","","0.0872","0.0911","","","","","","1.031","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112643","13.32","0.005","14.299","0.006","11.46","0.005","90","","90","","90","","2182.7","1.6","293","2","213","2","","","","","","","","6","P n n 2","P 2 -2n","34","Cr3(dpa)4I2, CH2Cl2","","","- C41 H34 Cl2 Cr3 I2 N12 -","- C41 H34 Cl2 Cr3 I2 N12 -","- C82 H68 Cl4 Cr6 I4 N24 -","2","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0282","0.0257","","","0.0671","0.0692","","","","","","1.042","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112644","13.0976","0.0013","14.2026","0.0014","11.4101","0.0011","90","","90","","90","","2122.5","0.4","293","2","213","2","","","","","","","","6","P n n 2","P 2 -2n","34","Cr3(dpa)4Br2, CH2Cl2","","","- C41 H34 Br2 Cl2 Cr3 N12 -","- C41 H34 Br2 Cl2 Cr3 N12 -","- C82 H68 Br4 Cl4 Cr6 N24 -","2","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0319","0.0262","","","0.0644","0.0673","","","","","","1.042","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112645","16.289","0.003","16.3743","0.0015","17.3732","0.0013","90","","103.624","0.009","90","","4503.4","1","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cr3(dpa)4(NO3)2,Et2O","","","- C44 H42 Cr3 N14 O7 -","- C44 H42 Cr3 N14 O7 -","- C176 H168 Cr12 N56 O28 -","4","1","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.1098","0.0818","","","0.1684","0.1866","","","","","","1.106","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112646","18.844","0.003","17.059","0.003","16.439","0.003","90","","111.71","0.003","90","","4909.6","1.5","293","2","213","2","","","","","","","","7","C 1 c 1","C -2yc","9","Cr3(dpa)4(BF4)2, 2CH2Cl2","","","- C42 H36 B2 Cl4 Cr3 F8 N12 -","- C42 H36 B2 Cl4 Cr3 F8 N12 -","- C168 H144 B8 Cl16 Cr12 F32 N48 -","4","1","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.055","0.053","","","0.1472","0.1497","","","","","","1.102","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112647","13.2514","0.0008","14.1573","0.0008","11.4203","0.0007","90","","90","","90","","2142.5","0.2","293","2","213","2","","","","","","","","5","P n n 2","P 2 -2n","34","Cr3(dpa)4(CN)2.CH2Cl2","","","- C43 H34 Cl2 Cr3 N14 -","- C43 H34 Cl2 Cr3 N14 -","- C86 H68 Cl4 Cr6 N28 -","2","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0281","0.0255","","","0.0667","0.0685","","","","","","1.057","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112648","16.956","0.006","18.688","0.006","16.949","0.006","90","","108.149","0.006","90","","5103","3","293","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cr3(dpa)4(NCS)2.2Benzene","","","- C54 H44 Cr3 N14 S2 -","- C54 H44 Cr3 N14 S2 -","- C216 H176 Cr12 N56 S8 -","4","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0539","0.0377","","","0.0977","0.1084","","","","","","1.074","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112649","14.285","0.001","24.3558","0.0017","31.508","0.002","90","","90","","90","","10962.3","1.3","213","2","213","2","","","","","","","","5","F d d 2","F 2 -2d","43","Cr3(dpa)4(NCS)2, (toluene)2","","","- C56 H48 Cr3 N14 S2 -","- C56 H47 Cr3 N14 S2 -","- C448 H376 Cr24 N112 S16 -","8","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0387","0.0332","","","0.0824","0.0864","","","","","","1.071","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112650","13.869","0.002","16.771","0.003","17.083","0.003","90","","94.928","0.003","90","","3958.8","1.1","293","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cr3(dpa)4(NCO)2","","","- C42 H32 Cr3 N14 O2 -","- C42 H32 Cr3 N14 O2 -","- C168 H128 Cr12 N56 O8 -","4","1","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0613","0.0468","","","0.1265","0.1361","","","","","","1.033","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112651","10.8639","0.001","7.1013","0.0006","14.5222","0.0013","90","","106.677","0.002","90","","1073.23","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ag2C4 6AgNO3 2H2O","","- C4 H4 Ag8 F0 N6 O20 -","- C4 Ag8 N6 O20 -","- C8 Ag16 N12 O40 -","2","0.5","","Liang Zhao; Thomas C. W. Mak","Silver(I) 1,3-Butadiynediide and Two Related Silver(I) Double Salts Containing the C42- Dianion","Journal of the American Chemical Society","2004","126","","6852","6853","10.1021/ja049772b","","","0.71073","MoKα","","0.0651","0.0598","","","0.1626","0.1677","","","","","","1.106","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112652","11.8995","0.0015","15.531","0.002","24.692","0.003","90","","90.171","0.003","90","","4563.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ag2C4 6AgNO3 3H2O","","- C8 H12 Ag16 N12 O42 -","- C8 Ag16 N12 O42 -","- C32 Ag64 N48 O168 -","4","1","","Liang Zhao; Thomas C. W. Mak","Silver(I) 1,3-Butadiynediide and Two Related Silver(I) Double Salts Containing the C42- Dianion","Journal of the American Chemical Society","2004","126","","6852","6853","10.1021/ja049772b","","","0.71073","MoKα","","0.0893","0.0479","","","0.1485","0.1747","","","","","","1.052","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112653","9.278","0.004","9.278","0.004","10.093","0.003","90","","90","","120","","752.4","0.5","296","2","296","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- C8 Cl4 N2 -","- C7.98 Cl4.02 N1.98 -","- C23.94 Cl12.06 N5.94 -","3","0.0833333","","Maryjane Tremayne; Leanne Grice; James C. Pyatt; Colin C. Seaton; Benson M. Kariuki; Helen H. Y. Tsui; Sarah L. Price; Julian C. Cherryman","Characterization of Complicated New Polymorphs of Chlorothalonil by X-ray Diffraction and Computer Crystal Structure Prediction","Journal of the American Chemical Society","2004","126","","7071","7081","10.1021/ja0498235","","","0.71069","MoKα","","0.0614","0.0609","","0.1451","0.1447","","","","1.176","1.183","1.183","","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112654","13.591","0.002","6.3033","0.0009","18.429","0.003","90","","109.448","0.005","90","","1488.7","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 Cl4 N2 -","- C8 Cl4 N2 -","- C48 Cl24 N12 -","6","3","","Maryjane Tremayne; Leanne Grice; James C. Pyatt; Colin C. Seaton; Benson M. Kariuki; Helen H. Y. Tsui; Sarah L. Price; Julian C. Cherryman","Characterization of Complicated New Polymorphs of Chlorothalonil by X-ray Diffraction and Computer Crystal Structure Prediction","Journal of the American Chemical Society","2004","126","","7071","7081","10.1021/ja0498235","","","0.71069","MoKα","","0.0793","0.0696","","","0.1318","0.1383","","","","","","1.128","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112655","11.469","0.002","4.831","0.001","14.575","0.003","90","","93.67","0.03","90","","805.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H26 N2 O3 -","- C14 H26 N2 O3 -","- C28 H52 N4 O6 -","2","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71069","MoKα","","0.0477","0.0348","","","0.0831","0.1104","","","","","","1.042","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112656","26.917","0.004","26.917","0.004","12.114","0.002","90","","90","","90","","8777","2","301","2","301","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C20 H31 N2 O5.5 -","- C20 H30 N2 O5.5 -","- C320 H480 N32 O88 -","16","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71069","MoKα","","0.1189","0.0897","","","0.2606","0.278","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112657","10.143","0.002","11.246","0.002","18.721","0.004","90","","90","","90","","2135.5","0.7","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H33 N2 O4 -","- C18 H33 N2 O4 -","- C72 H132 N8 O16 -","4","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71073","MoKα","","0.0833","0.0642","","","0.1708","0.1824","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112658","10.225","0.002","11.534","0.002","18.169","0.004","90","","90","","90","","2142.8","0.7","253","2","253","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H34 N2 O3 -","- C18 H34 N2 O3 -","- C72 H136 N8 O12 -","4","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71073","MoKα","","0.0729","0.0473","","","0.1249","0.133","","","","","","0.963","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112659","5.62","0.001","13.03","0.002","23.463","0.003","90","","90","","90","","1718.2","0.5","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N2 O4 -","- C16 H22.5 N2 O4 -","- C64 H90 N8 O16 -","4","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71073","MoKα","","0.0603","0.051","","","0.1507","0.1641","","","","","","1.122","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112660","4.846","0.001","5.949","0.0012","19.861","0.004","85","0.03","88.23","0.03","68.31","0.03","530","0.2","301","2","301","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H33 N3 O5 -","- C18 H33 N3 O5 -","- C18 H33 N3 O5 -","1","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71073","MoKα","","0.0555","0.0468","","","0.1193","0.1245","","","","","","1.06","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112661","12.252","0.002","14.313","0.002","15.292","0.002","76.069","0.009","69.391","0.008","86.72","0.01","2435.1","0.6","123.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H53 Cl2 N9 O2 Pd2 -","- C52 H53 Cl2 N9 O2 Pd2 -","- C104 H106 Cl4 N18 O4 Pd4 -","2","1","","Takeshi Motoyama; Yuichi Shimazaki; Tatsuo Yajima; Yasuo Nakabayashi; Yoshinori Naruta; Osamu Yamauchi","Reactivity of the Indole Ring in Palladium(II) Complexes of 2N1O-Donor Ligands: Cyclopalladation and π-Cation Radical Formation","Journal of the American Chemical Society","2004","126","","7378","7385","10.1021/ja031587v","","","0.7107","MoKα","","","0.047","","","","0.1142","","","","","","1.253","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112662","17.276","0.005","69.1","0.1","9.519","0.002","90","","90","","90","","11364","17","123.2","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C31 H38 Cl N3 O Pd -","- C31 H38 Cl N3 O Pd -","- C496 H608 Cl16 N48 O16 Pd16 -","16","1","","Takeshi Motoyama; Yuichi Shimazaki; Tatsuo Yajima; Yasuo Nakabayashi; Yoshinori Naruta; Osamu Yamauchi","Reactivity of the Indole Ring in Palladium(II) Complexes of 2N1O-Donor Ligands: Cyclopalladation and π-Cation Radical Formation","Journal of the American Chemical Society","2004","126","","7378","7385","10.1021/ja031587v","","","0.7107","MoKα","","","0.038","","","","0.1012","","","","","","0.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112663","8.5354","0.0006","15.3198","0.0009","21.615","0.002","90","","87.961","0.003","90","","2824.6","0.4","133.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 Cl N3 O Pd -","- C31 H38 Cl N3 O Pd -","- C124 H152 Cl4 N12 O4 Pd4 -","4","1","","Takeshi Motoyama; Yuichi Shimazaki; Tatsuo Yajima; Yasuo Nakabayashi; Yoshinori Naruta; Osamu Yamauchi","Reactivity of the Indole Ring in Palladium(II) Complexes of 2N1O-Donor Ligands: Cyclopalladation and π-Cation Radical Formation","Journal of the American Chemical Society","2004","126","","7378","7385","10.1021/ja031587v","","","0.7107","MoKα","","","0.0299","","","","0.0769","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112664","11.777","0.002","8.45","0.002","30.106","0.006","90","","96.9551","0.0009","90","","2974","1","123.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H31 Cl N3 O Pd -","- C32 H31 Cl N3 O Pd -","- C128 H124 Cl4 N12 O4 Pd4 -","4","1","","Takeshi Motoyama; Yuichi Shimazaki; Tatsuo Yajima; Yasuo Nakabayashi; Yoshinori Naruta; Osamu Yamauchi","Reactivity of the Indole Ring in Palladium(II) Complexes of 2N1O-Donor Ligands: Cyclopalladation and π-Cation Radical Formation","Journal of the American Chemical Society","2004","126","","7378","7385","10.1021/ja031587v","","","0.7107","MoKα","","","0.0397","","","","0.1078","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112665","12.889","0.0002","47.3431","0.0006","13.7109","0.0002","90","","113.833","0.0005","90","","7653.01","0.19","183.2","","183.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Cl6 Mn4 N12 O37 -","- C60 H44 Cl6 Mn4 N12 O37 -","- C240 H176 Cl24 Mn16 N48 O148 -","4","1","","Hongyu Chen; J. W. Faller; Robert H. Crabtree; Gary W. Brudvig","Dimer-of-Dimers Model for the Oxygen-Evolving Complex of Photosystem II. Synthesis and Properties of [MnIV4O5(terpy)4(H2O)2](ClO4)6","Journal of the American Chemical Society","2004","126","","7345","7349","10.1021/ja037389l","","","0.7107","MoKα","","0.1602","0.089","","0.176","","0.097","","","4.879","","","3.94","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112666","6.0201","0.0003","8.1669","0.0004","39.57","0.002","90","","90","","90","","1945.48","0.17","158.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O S -","- C24 H23 N O S -","- C96 H92 N4 O4 S4 -","4","1","","Reema K. Thalji; Jonathan A. Ellman; Robert G. Bergman","Highly Efficient and Enantioselective Cyclization of Aromatic Imines via Directed C-H Bond Activation","Journal of the American Chemical Society","2004","126","","7192","7193","10.1021/ja0394986","","","0.7107","MoKα","","","0.0469","","","","0.0531","","","","","","2.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112667","8.687","0.0007","4.9906","0.0004","20.473","0.002","90","","98.857","0.001","90","","876.99","0.13","170.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H22 N O2 S -","- C20 H23 N O2 S -","- C40 H46 N2 O4 S2 -","2","1","","Reema K. Thalji; Jonathan A. Ellman; Robert G. Bergman","Highly Efficient and Enantioselective Cyclization of Aromatic Imines via Directed C-H Bond Activation","Journal of the American Chemical Society","2004","126","","7192","7193","10.1021/ja0394986","","","0.7107","MoKα","","","0.0478","","","","0.0624","","","","","","2.366","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112668","24.089","0.005","14.957","0.003","28.235","0.006","90","","110.53","0.03","90","","9527","4","301","2","301","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C101 H92 Cu3 F12 N P8 -","- C101 H92 Cu3 F12 N P8 -","- C404 H368 Cu12 F48 N4 P32 -","4","1","","Wing-Yin Lo; Chi-Ho Lam; Vivian Wing-Wah Yam; Nianyong Zhu; Kung-Kai Cheung; Sofiane Fathallah; Sabri Messaoudi; Boris Le Guennic; Samia Kahlal; Jean-François Halet","Synthesis, Photophysics, Electrochemistry, Theoretical, and Transient Absorption Studies of Luminescent Copper(I) and Silver(I) Diynyl Complexes. X-ray Crystal Structures of [Cu3(μ-dppm)3(μ3-η1-C\τbCC\τbCPh)2]PF6 and [Cu3(μ-dppm)3(μ3-η1-C\τbCC\τbCH)2]PF6","Journal of the American Chemical Society","2004","126","","7300","7310","10.1021/ja049300x","","","0.71073","MoKα","","0.1206","0.0576","","","0.15","0.1904","","","","","","0.963","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112669","14.633","0.002","27.457","0.004","19.035","0.003","90","","106.8","0.03","90","","7321","2","301","2","301","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C83 H68 Cu3 F6 P7 -","- C83 H68 Cu3 F6 P7 -","- C332 H272 Cu12 F24 P28 -","4","1","","Wing-Yin Lo; Chi-Ho Lam; Vivian Wing-Wah Yam; Nianyong Zhu; Kung-Kai Cheung; Sofiane Fathallah; Sabri Messaoudi; Boris Le Guennic; Samia Kahlal; Jean-François Halet","Synthesis, Photophysics, Electrochemistry, Theoretical, and Transient Absorption Studies of Luminescent Copper(I) and Silver(I) Diynyl Complexes. X-ray Crystal Structures of [Cu3(μ-dppm)3(μ3-η1-C\τbCC\τbCPh)2]PF6 and [Cu3(μ-dppm)3(μ3-η1-C\τbCC\τbCH)2]PF6","Journal of the American Chemical Society","2004","126","","7300","7310","10.1021/ja049300x","","","0.71073","MoKα","","0.0813","0.0527","","","0.1437","0.1678","","","","","","1.009","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112670","24.991","0.005","51.872","0.01","9.933","0.002","90","","90","","90","","12876","4","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C40 H32 N2 -","- C40 H32 N2 -","- C640 H512 N32 -","16","1","","Xiaohua Sun; Congyang Wang; Zhiping Li; Shiwei Zhang; Zhenfeng Xi","Zirconocene-Mediated Intermolecular Coupling of One Molecule of Si-Tethered Diyne with Three Molecules of Organonitriles: One-Pot Formation of Pyrrolo[3,2-c]pyridine Derivatives via Cleavage of C\τbN Triple Bonds of Organonitriles","Journal of the American Chemical Society","2004","126","","7172","7173","10.1021/ja0497173","","","0.71073","MoKα","","0.1055","0.0549","","","0.1398","0.1505","","","","","","1.023","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112671","12.612","0.003","14.778","0.003","14.257","0.003","90","","104.05","0.03","90","","2577.7","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H19 N2 S3 -","- C30 H19 N2 S3 -","- C120 H76 N8 S12 -","4","1","","Xiaohua Sun; Congyang Wang; Zhiping Li; Shiwei Zhang; Zhenfeng Xi","Zirconocene-Mediated Intermolecular Coupling of One Molecule of Si-Tethered Diyne with Three Molecules of Organonitriles: One-Pot Formation of Pyrrolo[3,2-c]pyridine Derivatives via Cleavage of C\τbN Triple Bonds of Organonitriles","Journal of the American Chemical Society","2004","126","","7172","7173","10.1021/ja0497173","","","0.71073","MoKα","","0.1118","0.0548","","","0.1267","0.1394","","","","","","1.002","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112672","10.014","0.002","13.707","0.003","19.626","0.004","90","","90","","90","","2693.9","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H24 N2 S2 -","- C34 H24 N2 S2 -","- C136 H96 N8 S8 -","4","1","","Xiaohua Sun; Congyang Wang; Zhiping Li; Shiwei Zhang; Zhenfeng Xi","Zirconocene-Mediated Intermolecular Coupling of One Molecule of Si-Tethered Diyne with Three Molecules of Organonitriles: One-Pot Formation of Pyrrolo[3,2-c]pyridine Derivatives via Cleavage of C\τbN Triple Bonds of Organonitriles","Journal of the American Chemical Society","2004","126","","7172","7173","10.1021/ja0497173","","","0.71073","MoKα","","0.0793","0.0351","","","0.0552","0.0594","","","","","","0.848","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112673","10.114","0.002","10.915","0.002","19.17","0.004","90","","96.44","0.03","90","","2102.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O -","- C24 H27 N O -","- C96 H108 N4 O4 -","4","1","","Xiaohua Sun; Congyang Wang; Zhiping Li; Shiwei Zhang; Zhenfeng Xi","Zirconocene-Mediated Intermolecular Coupling of One Molecule of Si-Tethered Diyne with Three Molecules of Organonitriles: One-Pot Formation of Pyrrolo[3,2-c]pyridine Derivatives via Cleavage of C\τbN Triple Bonds of Organonitriles","Journal of the American Chemical Society","2004","126","","7172","7173","10.1021/ja0497173","","","0.71073","MoKα","","0.1015","0.0412","","","0.0823","0.0898","","","","","","0.938","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112674","10.905","0.001","18.917","0.002","20.445","0.001","90","","90.99","0.01","90","","4217","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","complex 2","","","- C49 H51 B Co N4 S -","- C49 H51 B Co N4 S -","- C196 H204 B4 Co4 N16 S4 -","4","1","","Derek C. Fox; Adam T. Fiedler; Heather L. Halfen; Thomas C. Brunold; Jason A. Halfen","Electronic Structure Control of the Nucleophilicity of Transition Metal-Thiolate Complexes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","7627","7638","10.1021/ja039419q","","","0.71073","MoKα","","0.1143","0.0602","","","0.1054","0.1256","","","","","","1.028","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112675","10.86","0.001","18.999","0.001","20.344","0.002","90","","91.16","0.01","90","","4196.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","complex 3","","","- C49 H51 B N4 Ni S -","- C49 H51 B N4 Ni S -","- C196 H204 B4 N16 Ni4 S4 -","4","1","","Derek C. Fox; Adam T. Fiedler; Heather L. Halfen; Thomas C. Brunold; Jason A. Halfen","Electronic Structure Control of the Nucleophilicity of Transition Metal-Thiolate Complexes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","7627","7638","10.1021/ja039419q","","","0.71073","MoKα","","0.1102","0.0588","","","0.0941","0.1109","","","","","","1.039","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112676","14.362","0.001","14.835","0.001","19.622","0.001","90","","90","","90","","4180.7","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","complex 4","","","- C49 H51 B N4 S Zn -","- C49 H51 B N4 S Zn -","- C196 H204 B4 N16 S4 Zn4 -","4","1","","Derek C. Fox; Adam T. Fiedler; Heather L. Halfen; Thomas C. Brunold; Jason A. Halfen","Electronic Structure Control of the Nucleophilicity of Transition Metal-Thiolate Complexes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","7627","7638","10.1021/ja039419q","","","0.71073","MoKα","","0.114","0.0487","","","0.0777","0.0918","","","","","","1.014","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112677","18.62","0.002","17.399","0.002","36.26","0.006","90","","90","","90","","11747","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","complex 5","","","- C70 H70 B2 Co N6 -","- C70 H70 B2 Co N6 -","- C560 H560 B16 Co8 N48 -","8","1","","Derek C. Fox; Adam T. Fiedler; Heather L. Halfen; Thomas C. Brunold; Jason A. Halfen","Electronic Structure Control of the Nucleophilicity of Transition Metal-Thiolate Complexes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","7627","7638","10.1021/ja039419q","","","0.71073","MoKα","","0.1407","0.0519","","","0.1142","0.1443","","","","","","1.01","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112678","11.355","0.002","13.064","0.002","18.333","0.002","88.52","0.02","86.13","0.01","88.74","0.02","2711.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","complex 6","","","- C68 H67 B2 N5 Ni -","- C68 H67 B2 N5 Ni -","- C136 H134 B4 N10 Ni2 -","2","1","","Derek C. Fox; Adam T. Fiedler; Heather L. Halfen; Thomas C. Brunold; Jason A. Halfen","Electronic Structure Control of the Nucleophilicity of Transition Metal-Thiolate Complexes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","7627","7638","10.1021/ja039419q","","","0.71073","MoKα","","0.1391","0.0728","","","0.1132","0.1344","","","","","","1.037","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112679","8.795","0.002","9.913","0.002","15.211","0.003","84.99","0.03","79.19","0.03","73.45","0.03","1247.9","0.5","253","2","253","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Cl N3 O4 Pt -","- C26 H30 Cl N3 O4 Pt -","- C52 H60 Cl2 N6 O8 Pt2 -","2","1","","Wei Lu; Michael C. W. Chan; Nianyong Zhu; Chi-Ming Che; Chuannan Li; Zheng Hui","Structural and Spectroscopic Studies on Pt...Pt and π-π Interactions in Luminescent Multinuclear Cyclometalated Platinum(II) Homologues Tethered by Oligophosphine Auxiliaries","Journal of the American Chemical Society","2004","126","","7639","7651","10.1021/ja039727o","","","0.71069","MoKα","","0.0649","0.0504","","","0.1254","0.1427","","","","","","1.031","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112680","59.405","0.012","13.579","0.003","29.636","0.006","90","","108.55","0.03","90","","22664","9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H119 Cl3 N9 O12 P3 Pt3 -","- C110 H110 Cl3 N9 O12 P3 Pt3 -","- C880 H880 Cl24 N72 O96 P24 Pt24 -","8","1","","Wei Lu; Michael C. W. Chan; Nianyong Zhu; Chi-Ming Che; Chuannan Li; Zheng Hui","Structural and Spectroscopic Studies on Pt...Pt and π-π Interactions in Luminescent Multinuclear Cyclometalated Platinum(II) Homologues Tethered by Oligophosphine Auxiliaries","Journal of the American Chemical Society","2004","126","","7639","7651","10.1021/ja039727o","","","0.71069","MoKα","","0.0852","0.0597","","","0.1788","0.1881","","","","","","1.019","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112681","17.556","0.004","20.772","0.004","27.514","0.006","90","","102.1","0.03","90","","9811","4","253","2","253","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C93 H80 Cl3 N8 O18 P3 Pt3 -","- C93 H69 Cl3 N8 O18 P3 Pt3 -","- C372 H276 Cl12 N32 O72 P12 Pt12 -","4","1","","Wei Lu; Michael C. W. Chan; Nianyong Zhu; Chi-Ming Che; Chuannan Li; Zheng Hui","Structural and Spectroscopic Studies on Pt...Pt and π-π Interactions in Luminescent Multinuclear Cyclometalated Platinum(II) Homologues Tethered by Oligophosphine Auxiliaries","Journal of the American Chemical Society","2004","126","","7639","7651","10.1021/ja039727o","","","0.71069","MoKα","","0.1038","0.0553","","","0.1525","0.1733","","","","","","0.986","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112682","19.365","0.003","19.365","0.003","42.143","0.008","90","","90","","120","","13686","4","253","2","253","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C77 H82 F12 N6 O8 P4 Pt2 -","- C77 H82 F12 N6 O8 P4 Pt2 -","- C462 H492 F72 N36 O48 P24 Pt12 -","6","0.5","","Wei Lu; Michael C. W. Chan; Nianyong Zhu; Chi-Ming Che; Chuannan Li; Zheng Hui","Structural and Spectroscopic Studies on Pt...Pt and π-π Interactions in Luminescent Multinuclear Cyclometalated Platinum(II) Homologues Tethered by Oligophosphine Auxiliaries","Journal of the American Chemical Society","2004","126","","7639","7651","10.1021/ja039727o","","","0.71073","MoKα","","0.0844","0.0497","","","0.1411","0.1618","","","","","","1.034","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112683","12.308","0.003","13.948","0.003","32.345","0.007","90","","90","","90","","5553","2","301","2","301","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C57 H46 Cl2 N6 O8 P2 Pt2 S2 -","- C57 H28 Cl2 N6 O8 P2 Pt2 S2 -","- C228 H112 Cl8 N24 O32 P8 Pt8 S8 -","4","0.5","","Wei Lu; Michael C. W. Chan; Nianyong Zhu; Chi-Ming Che; Chuannan Li; Zheng Hui","Structural and Spectroscopic Studies on Pt...Pt and π-π Interactions in Luminescent Multinuclear Cyclometalated Platinum(II) Homologues Tethered by Oligophosphine Auxiliaries","Journal of the American Chemical Society","2004","126","","7639","7651","10.1021/ja039727o","","","0.71073","MoKα","","0.0862","0.053","","","0.1545","0.1684","","","","","","1.07","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112684","10.397","0.001","10.6917","0.001","13.8862","0.0013","81.785","0.002","78.731","0.002","88.759","0.002","1498.3","0.2","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H20 N O -","- C18 H20 N O -","- C72 H80 N4 O4 -","4","4","","Phil S. Baran; Jeremy M. Richter","Direct Coupling of Indoles with Carbonyl Compounds: Short, Enantioselective, Gram-Scale Synthetic Entry into the Hapalindole and Fischerindole Alkaloid Families","Journal of the American Chemical Society","2004","126","","7450","7451","10.1021/ja047874w","","","0.71073","MoKα","","0.0794","0.0535","","","0.1123","0.1263","","","","","","1.007","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112685","7.857","0.003","10.517","0.004","18.996","0.006","81.092","0.005","81.484","0.006","69.293","0.005","1443.2","0.9","373","2","373","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H40 N2 O4 S Si -","- C28 H36 N2 O4 S Si -","- C56 H72 N4 O8 S2 Si2 -","2","1","","Randy F. Sweis; Michael P. Schramm; Sergey A. Kozmin","Silver-Catalyzed [2 + 2] Cycloadditions of Siloxy Alkynes","Journal of the American Chemical Society","2004","126","","7442","7443","10.1021/ja048251l","","","0.71073","MoKα","","0.0554","0.0534","","","0.145","0.1469","","","","","","1.082","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112686","12.2784","0.001","14.8498","0.0012","14.4883","0.0012","90","","102.044","0.002","90","","2583.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H82 Ca2 N2 O4 Si4 -","- C42 H72.94 Ca2 N2 O4 Si4 -","- C84 H145.88 Ca4 N4 O8 Si8 -","2","0.5","","Xuyang He; Bruce C. Noll; Alicia Beatty; Robert E. Mulvey; Kenneth W. Henderson","Ketone Deprotonation Mediated by Mono- and Heterobimetallic Alkali and Alkaline Earth Metal Amide Bases: Structural Characterization of Potassium, Calcium, and Mixed Potassium-Calcium Enolates","Journal of the American Chemical Society","2004","126","","7444","7445","10.1021/ja048750m","","","0.71073","MoKα","","0.0813","0.0669","","","0.1428","0.1522","","","","","","1.137","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112687","22.868","0.004","14.045","0.003","21.61","0.004","90","","105.937","0.004","90","","6674","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H84 K4 O4 -","- C72 H84 K4 O4 -","- C288 H336 K16 O16 -","4","1","","Xuyang He; Bruce C. Noll; Alicia Beatty; Robert E. Mulvey; Kenneth W. Henderson","Ketone Deprotonation Mediated by Mono- and Heterobimetallic Alkali and Alkaline Earth Metal Amide Bases: Structural Characterization of Potassium, Calcium, and Mixed Potassium-Calcium Enolates","Journal of the American Chemical Society","2004","126","","7444","7445","10.1021/ja048750m","","","0.71073","MoKα","","0.1143","0.0896","","","0.2071","0.2145","","","","","","1.105","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112688","11.4533","0.0015","17.285","0.002","19.218","0.003","90","","90.438","0.002","90","","3804.5","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H62 Ca K N3 O Si6 -","- C22 H62 Ca K N3 O Si6 -","- C88 H248 Ca4 K4 N12 O4 Si24 -","4","1","","Xuyang He; Bruce C. Noll; Alicia Beatty; Robert E. Mulvey; Kenneth W. Henderson","Ketone Deprotonation Mediated by Mono- and Heterobimetallic Alkali and Alkaline Earth Metal Amide Bases: Structural Characterization of Potassium, Calcium, and Mixed Potassium-Calcium Enolates","Journal of the American Chemical Society","2004","126","","7444","7445","10.1021/ja048750m","","","0.71073","MoKα","","0.0676","0.0486","","","0.1378","0.1475","","","","","","1.094","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112689","11.3419","0.0013","23.324","0.003","13.5278","0.0016","90","","96.34","0.002","90","","3556.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H47 Ca K O4 -","- C37 H47 Ca K O4 -","- C148 H188 Ca4 K4 O16 -","4","1","","Xuyang He; Bruce C. Noll; Alicia Beatty; Robert E. Mulvey; Kenneth W. Henderson","Ketone Deprotonation Mediated by Mono- and Heterobimetallic Alkali and Alkaline Earth Metal Amide Bases: Structural Characterization of Potassium, Calcium, and Mixed Potassium-Calcium Enolates","Journal of the American Chemical Society","2004","126","","7444","7445","10.1021/ja048750m","","","0.71073","MoKα","","0.0754","0.0517","","","0.1454","0.1553","","","","","","1.006","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112690","26.746","0.005","12.27","0.002","19.878","0.004","90","","115.091","0.003","90","","5907.9","1.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H84 Ca K2 O8 -","- C60 H84 Ca K2 O8 -","- C240 H336 Ca4 K8 O32 -","4","0.5","","Xuyang He; Bruce C. Noll; Alicia Beatty; Robert E. Mulvey; Kenneth W. Henderson","Ketone Deprotonation Mediated by Mono- and Heterobimetallic Alkali and Alkaline Earth Metal Amide Bases: Structural Characterization of Potassium, Calcium, and Mixed Potassium-Calcium Enolates","Journal of the American Chemical Society","2004","126","","7444","7445","10.1021/ja048750m","","","0.71073","MoKα","","0.0878","0.0536","","","0.1255","0.1445","","","","","","1.075","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112691","12.4536","0.0009","16.1001","0.0011","24.7739","0.0017","90","","102.798","0.001","90","","4843.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H62 Cl3 N4 Ru2 -","- C52 H62 Cl3 N4 Ru2 -","- C208 H248 Cl12 N16 Ru8 -","4","1","","Soon Hyeok Hong; Michael W. Day; Robert H. Grubbs","Decomposition of a Key Intermediate in Ruthenium-Catalyzed Olefin Metathesis Reactions","Journal of the American Chemical Society","2004","126","","7414","7415","10.1021/ja0488380","","","0.71073","MoKα","","0.0952","0.0488","","","0.0803","0.0859","","","","","","1.396","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112692","43.157","0.01","12.009","0.003","20.925","0.004","90","","94.19","0.003","90","","10816","4","173.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H54 B Cl F4 P3 Pt -","- C61 H56 B Cl2 F4 P3 Pt -","- C488 H448 B8 Cl16 F32 P24 Pt8 -","8","1","","Morifumi Fujita; Wan Hyeok Kim; Yuichi Sakanishi; Koji Fujiwara; Sayaka Hirayama; Tadashi Okuyama; Yasuhiro Ohki; Kazuyuki Tatsumi; Yasunori Yoshioka","Elimination-Addition Mechanism for Nucleophilic Substitution Reaction of Cyclohexenyl Iodonium Salts and Regioselectivity of Nucleophilic Addition to the Cyclohexyne Intermediate","Journal of the American Chemical Society","2004","126","","7548","7558","10.1021/ja0496672","","","0.7107","MoKα","","","0.0413","","","","0.0627","","","","","","1.716","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112693","14.5249","0.0009","17.453","0.0011","22.1208","0.0014","90","","124.978","0.001","90","","4594.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H45 Cl2 Ir N4 O7 S2 -","- C48.01 H45.02 Cl2.02 Ir N4 O7 S2 -","- C192.04 H180.08 Cl8.08 Ir4 N16 O28 S8 -","4","1","","Maria C. DeRosa; Derek J. Hodgson; Gary D. Enright; Brian Dawson; Christopher E. B. Evans; Robert J. Crutchley","Iridium Luminophore Complexes for Unimolecular Oxygen Sensors","Journal of the American Chemical Society","2004","126","","7619","7626","10.1021/ja049872h","","","0.71073","MoKα","","0.0766","0.0434","","","0.1034","0.1176","","","","","","1.012","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112694","11.5162","0.001","12.5395","0.0011","12.5842","0.0011","89.228","0.0014","72.165","0.0014","73.716","0.0014","1655.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cl6 N2 O Sb -","- C32 H28 Cl6 N2 O Sb -","- C64 H56 Cl12 N4 O2 Sb2 -","2","1","","Adriana V. Szeghalmi; Marco Erdmann; Volker Engel; Michael Schmitt; Stephan Amthor; Volker Kriegisch; Gilbert Nöll; Rainer Stahl; Christoph Lambert; Dirk Leusser; Dietmar Stalke; Manfred Zabel; Jürgen Popp","How Delocalized IsN,N,N',N'-Tetraphenylphenylenediamine Radical Cation? An Experimental and Theoretical Study on the Electronic and Molecular Structure","Journal of the American Chemical Society","2004","126","","7834","7845","10.1021/ja0395386","","","0.71073","MoKα","","0.024","0.0218","","","0.0555","0.0566","","","","","","1.041","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112695","22.713","0.002","17.6662","0.001","18.024","0.0017","90","","111.431","0.01","90","","6732.1","1.1","293","","173","1","","","","","","","University of Regensburg","6","C 1 2/c 1","-C 2yc","15","","[N,N,N',N'-Tetraphenylphenylendiamino+][SbCl6-)]-THF","","- C32 H28 Cl6 N2 O0.5 Sb -","- C32 H28 Cl6 N2 O0.5 Sb -","- C256 H224 Cl48 N16 O4 Sb8 -","8","1","","Adriana V. Szeghalmi; Marco Erdmann; Volker Engel; Michael Schmitt; Stephan Amthor; Volker Kriegisch; Gilbert Nöll; Rainer Stahl; Christoph Lambert; Dirk Leusser; Dietmar Stalke; Manfred Zabel; Jürgen Popp","How Delocalized IsN,N,N',N'-Tetraphenylphenylenediamine Radical Cation? An Experimental and Theoretical Study on the Electronic and Molecular Structure","Journal of the American Chemical Society","2004","126","","7834","7845","10.1021/ja0395386","","","0.71073","MoKα","","0.0635","0.0353","","","0.0946","0.1043","","","","","","0.933","","","","has coordinates","273129","2022-02-23","10:11:33",""
"4112696","8.3524","0.0006","10.27","0.0007","13.8018","0.001","106.496","0.0012","100.073","0.0012","95.2343","0.0013","1105.16","0.14","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H24 N2 -","- C30 H24 N2 -","- C60 H48 N4 -","2","1","","Adriana V. Szeghalmi; Marco Erdmann; Volker Engel; Michael Schmitt; Stephan Amthor; Volker Kriegisch; Gilbert Nöll; Rainer Stahl; Christoph Lambert; Dirk Leusser; Dietmar Stalke; Manfred Zabel; Jürgen Popp","How Delocalized IsN,N,N',N'-Tetraphenylphenylenediamine Radical Cation? An Experimental and Theoretical Study on the Electronic and Molecular Structure","Journal of the American Chemical Society","2004","126","","7834","7845","10.1021/ja0395386","","","0.71073","MoKα","","0.0793","0.0706","","","0.1053","0.1085","","","","","","1.229","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112697","10.692","0.002","8.858","0.002","11.968","0.002","90","","114.4","0.01","90","","1032.2","0.4","200.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 Br2 O3 -","- C19 H24 Br2 O3 -","- C38 H48 Br4 O6 -","2","1","","Vijay Gnanadesikan; Yoshihiro Horiuchi; Takashi Ohshima; Masakatsu Shibasaki","Direct Catalytic Asymmetric Aldol-Tishchenko Reaction","Journal of the American Chemical Society","2004","126","","7782","7783","10.1021/ja047906f","","","1.5419","CuKα","","","0.038","","","","0.055","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112698","15.1875","0.0004","16.9658","0.0005","7.8798","0.0003","90","","115.833","0.001","90","","1827.47","0.1","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 O4 -","- C23 H22 O4 -","- C92 H88 O16 -","4","0.5","","Hye-Young Jang; Michael J. Krische","Rhodium-Catalyzed Reductive Cyclization of 1,6-Diynes and 1,6-Enynes Mediated by Hydrogen: Catalytic C-C Bond Formation via Capture of Hydrogenation Intermediates","Journal of the American Chemical Society","2004","126","","7875","7880","10.1021/ja048498i","","","0.71073","MoKα","","0.0821","0.043","","","0.0856","0.1016","","","","","","0.999","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112699","17.2333","0.0006","24.8954","0.0008","29.6704","0.0009","90","","90","","90","","12729.5","0.7","120","","120","","","","","","","","?","2","P c a b","-P 2bc 2ac","61","","","","- C80 H94 -","- C80 H94 -","- C640 H752 -","8","1","","Zhaohui Wang; Željko Tomović; Marcel Kastler; Ramona Pretsch; Fabrizia Negri; Volker Enkelmann; Klaus Müllen","Graphitic Molecules with Partial ""Zig/Zag"" Periphery","Journal of the American Chemical Society","2004","126","","7794","7795","10.1021/ja048580d","","","1.54184","CuKα","","","0.0804","","","","0.0943","","","","","","0.9609","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112700","5.166","0.005","11.04","0.01","24.94","0.03","90","","90","","90","","1422","3","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O4 -","- C12 H21 N O4 -","- C48 H84 N4 O16 -","4","1","","Tomoaki Hamada; Kei Manabe; Shū Kobayashi","Enantio- and Diastereoselective, Stereospecific Mannich-Type Reactions in Water","Journal of the American Chemical Society","2004","126","","7768","7769","10.1021/ja048607t","","","0.7107","MoKα","","","0.024","","","","0.053","","","","","","0.82","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112701","11.4952","0.0004","11.4952","0.0004","47.84","0.002","90","","90","","90","","6321.6","0.4","296.2","","","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C31 H32 Cl4 N2 O2 Zn -","- C31 H34 Cl4 N2 O2 Zn -","- C248 H272 Cl32 N16 O16 Zn8 -","8","1","","Tomoaki Hamada; Kei Manabe; Shū Kobayashi","Enantio- and Diastereoselective, Stereospecific Mannich-Type Reactions in Water","Journal of the American Chemical Society","2004","126","","7768","7769","10.1021/ja048607t","","","0.7107","MoKα","","","0.0739","","","","0.2325","","","","","","2.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112702","11.196","","15.5253","0.001","11.311","","90","","108.132","0.003","90","","1868.46","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Cu3 I4 N S -","- C9 H14 Cu3 I4 N S -","- C36 H56 Cu12 I16 N4 S4 -","4","1","","Jian-Kai Cheng; Yuan-Gen Yao; Jian Zhang; Zhao-Ji Li; Zong-Wei Cai; Xiang-You Zhang; Zhong-Ning Chen; Yu-Biao Chen; Yao Kang; Ye-Yan Qin; Yi-Hang Wen","A Simultaneous Redox, Alkylation, Self-Assembly Reaction under Solvothermal Conditions Afforded a Luminescent Copper(I) Chain Polymer Constructed of Cu3I4- and EtS-4-C5H4N+Et Components (Et = CH3CH2)","Journal of the American Chemical Society","2004","126","","7796","7797","10.1021/ja048624i","","","0.71073","MoKα","","0.0542","0.0446","","","0.096","0.099","","","","","","1.007","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112703","15.092","0.002","15.092","0.002","13.016","0.003","90","","90","","90","","2964.6","0.9","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C20 H20 Cl6 Cu6 N4 S4 -","- C20 H20 Cl6 Cu6 N4 S4 -","- C80 H80 Cl24 Cu24 N16 S16 -","4","0.25","","Jian-Kai Cheng; Yuan-Gen Yao; Jian Zhang; Zhao-Ji Li; Zong-Wei Cai; Xiang-You Zhang; Zhong-Ning Chen; Yu-Biao Chen; Yao Kang; Ye-Yan Qin; Yi-Hang Wen","A Simultaneous Redox, Alkylation, Self-Assembly Reaction under Solvothermal Conditions Afforded a Luminescent Copper(I) Chain Polymer Constructed of Cu3I4- and EtS-4-C5H4N+Et Components (Et = CH3CH2)","Journal of the American Chemical Society","2004","126","","7796","7797","10.1021/ja048624i","","","0.71073","MoKα","","0.0962","0.0569","","","0.1623","0.1924","","","","","","1.031","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112704","21.6316","0.0005","18.5683","0.0005","12.1535","0.0003","90","","113.025","0.001","90","","4492.7","0.2","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ru2II(mu-Cl)(bpp)(trpy)2](PF6)2","","","- C43 H31 Cl F12 N10 P2 Ru2 -","- C43 H31 Cl F12 N10 P2 Ru2 -","- C172 H124 Cl4 F48 N40 P8 Ru8 -","4","0.5","","Cristina Sens; Isabel Romero; Montserrat Rodríguez; Antoni Llobet; Teodor Parella; Jordi Benet-Buchholz","A New Ru Complex Capable of Catalytically Oxidizing Water to Molecular Dioxygen","Journal of the American Chemical Society","2004","126","","7798","7799","10.1021/ja0486824","","","0.71073","MoKα","","0.0695","0.0523","","","0.125","0.1401","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112705","12.81","0.0011","14.3191","0.0012","17.3027","0.0019","83.756","0.005","68.314","0.003","64.237","0.003","2650.9","0.4","153","2","153","2","","","","","","","","7","P -1","-P 1","2","[Ru2II(mu-OAc)(bpp)(trpy)2](PF6)2","","","- C51 H46 F12 N10 O4 P2 Ru2 -","- C51 H46 F12 N10 O4 P2 Ru2 -","- C102 H92 F24 N20 O8 P4 Ru4 -","2","1","","Cristina Sens; Isabel Romero; Montserrat Rodríguez; Antoni Llobet; Teodor Parella; Jordi Benet-Buchholz","A New Ru Complex Capable of Catalytically Oxidizing Water to Molecular Dioxygen","Journal of the American Chemical Society","2004","126","","7798","7799","10.1021/ja0486824","","","0.71073","MoKα","","0.0982","0.0601","","","0.151","0.1738","","","","","","1.038","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112706","14.973","0.009","14.973","0.009","9.96","0.008","90","","90","","120","","1934","2","183","2","183","2","","","","","","","","6","P -3","-P 3","147","NW(N[i-Pr]Ar)3","","","- C36 H57 N4 O0.5 Si W -","- C36 H57 N4 O0.5 Si W -","- C72 H114 N8 O Si2 W2 -","2","0.333333","","Christopher R. Clough; Jane B. Greco; Joshua S. Figueroa; Paula L. Diaconescu; William M. Davis; Christopher C. Cummins","Organic Nitriles from Acid Chlorides: An Isovalent N for (O)Cl Exchange Reaction Mediated by a Tungsten Nitride Complex","Journal of the American Chemical Society","2004","126","","7742","7743","10.1021/ja0492438","","","0.71073","MoKα","","0.0264","0.025","","","0.0583","0.0587","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112707","12.0919","0.001","16.4768","0.0013","20.0774","0.0016","91.902","0.002","100.977","0.001","90.695","0.001","3924.1","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","W(NC(O)CF3)(O2CCF3)(N[i-Pr]Ar)3","","","- C37 H48 F6 N4 O3 W -","- C37 H48 F6 N4 O3 W -","- C148 H192 F24 N16 O12 W4 -","4","2","","Christopher R. Clough; Jane B. Greco; Joshua S. Figueroa; Paula L. Diaconescu; William M. Davis; Christopher C. Cummins","Organic Nitriles from Acid Chlorides: An Isovalent N for (O)Cl Exchange Reaction Mediated by a Tungsten Nitride Complex","Journal of the American Chemical Society","2004","126","","7742","7743","10.1021/ja0492438","","","0.71073","MoKα","","0.056","0.0497","","","0.1302","0.1339","","","","","","1.002","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112708","9.8866","0.001","16.8619","0.0016","19.8088","0.0019","90","","90","","90","","3302.3","0.6","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","W(O)(Cl)(N[i-Pr]Ar)3","","","- C33 H48 Cl N3 O W -","- C33 H48 Cl N3 O W -","- C132 H192 Cl4 N12 O4 W4 -","4","1","","Christopher R. Clough; Jane B. Greco; Joshua S. Figueroa; Paula L. Diaconescu; William M. Davis; Christopher C. Cummins","Organic Nitriles from Acid Chlorides: An Isovalent N for (O)Cl Exchange Reaction Mediated by a Tungsten Nitride Complex","Journal of the American Chemical Society","2004","126","","7742","7743","10.1021/ja0492438","","","0.71073","MoKα","","0.0188","0.0181","","","0.0418","0.0421","","","","","","1.101","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112709","9.2218","0.0004","14.3152","0.0006","9.8666","0.0004","90","","101.799","0.001","90","","1274.99","0.09","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H38 Ni P2 Si3 -","- C22 H34.92 Ni P2 Si3 -","- C44 H69.84 Ni2 P4 Si6 -","2","1","","Wanzhi Chen; Shigeru Shimada; Masato Tanaka; Yuka Kobayashi; Kazuhiko Saigo","Reaction of [2-(SiH3)C6H4]2SiH2 with Ni(Et2PCH2CH2PEt2)(PEt3)2: Characterization of η2-(Si-H)Ni and NiIV-H Complexes","Journal of the American Chemical Society","2004","126","","8072","8073","10.1021/ja039244k","","","0.7107","MoKα","","","0.027","","","","0.069","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112710","8.8568","0.0008","19.7932","0.0018","16.5826","0.0015","90","","105.522","0.001","90","","2801","0.4","98","2","98","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H42 Cl2 Si2 Zr -","- C26 H42 Cl2 Si2 Zr -","- C104 H168 Cl8 Si8 Zr4 -","4","2","","Cliff R. Baar; Christopher J. Levy; Endy Y.-J. Min; Lawrence M. Henling; Michael W. Day; John E. Bercaw","Kinetic Resolution of Chiral α-Olefins Using Optically Active ansa-Zirconocene Polymerization Catalysts","Journal of the American Chemical Society","2004","126","","8216","8231","10.1021/ja040021j","","","0.71073","MoKα","","0.0375","0.034","","","0.0577","0.0582","","","","","","1.212","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112711","12.6459","0.0008","12.6459","0.0008","47.844","0.004","90","","90","","90","","7651.2","0.9","98","","98","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C38 H52 S2 Si2 Zr -","- C38 H52 S2 Si2 Zr -","- C304 H416 S16 Si16 Zr8 -","8","1","","Cliff R. Baar; Christopher J. Levy; Endy Y.-J. Min; Lawrence M. Henling; Michael W. Day; John E. Bercaw","Kinetic Resolution of Chiral α-Olefins Using Optically Active ansa-Zirconocene Polymerization Catalysts","Journal of the American Chemical Society","2004","126","","8216","8231","10.1021/ja040021j","","","0.71073","MoKα","","0.0566","0.0434","","","0.0587","0.0598","","","","","","1.549","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112712","10.3602","0.0005","13.1543","0.0007","14.0843","0.0007","97.199","0.001","104.068","0.001","106.275","0.001","1748.26","0.15","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C33.5 H54 Cl2 Si2 Zr -","- C33.5 H54 Cl2 Si2 Zr -","- C67 H108 Cl4 Si4 Zr2 -","2","2","","Cliff R. Baar; Christopher J. Levy; Endy Y.-J. Min; Lawrence M. Henling; Michael W. Day; John E. Bercaw","Kinetic Resolution of Chiral α-Olefins Using Optically Active ansa-Zirconocene Polymerization Catalysts","Journal of the American Chemical Society","2004","126","","8216","8231","10.1021/ja040021j","","","0.71073","MoKα","","0.0365","0.0299","","","0.0618","0.063","","","","","","1.447","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112713","13.2833","0.0007","19.3805","0.001","14.7651","0.0008","90","","107.195","0.001","90","","3631.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33.32 H52.64 Cl4.64 Si2 Zr -","- C33.3232 H52.6464 Cl4.6464 Si2 Zr -","- C133.293 H210.586 Cl18.5856 Si8 Zr4 -","4","2","","Cliff R. Baar; Christopher J. Levy; Endy Y.-J. Min; Lawrence M. Henling; Michael W. Day; John E. Bercaw","Kinetic Resolution of Chiral α-Olefins Using Optically Active ansa-Zirconocene Polymerization Catalysts","Journal of the American Chemical Society","2004","126","","8216","8231","10.1021/ja040021j","","","0.71073","MoKα","","0.0589","0.0374","","","0.0604","0.0643","","","","","","1.13","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112714","15.51","0.01","4.49","0.004","11.449","0.011","90","","91.567","0.013","90","","797","1.2","173.1","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 F14 -","- C22 F14 -","- C44 F28 -","2","0.5","","Youichi Sakamoto; Toshiyasu Suzuki; Masafumi Kobayashi; Yuan Gao; Yasushi Fukai; Youji Inoue; Fumio Sato; Shizuo Tokito","Perfluoropentacene: High-Performance p-n Junctions and Complementary Circuits with Pentacene","Journal of the American Chemical Society","2004","126","","8138","8140","10.1021/ja0476258","","","0.7107","MoKα","","","0.064","","","","0.204","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112715","12.2348","0.0011","15.2532","0.0013","21.2206","0.0018","96.005","0.002","90.298","0.002","91.165","0.002","3937.5","0.6","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C70.5 H120 O4 Si6 Y4 -","- C70.5 H120 O4 Si6 Y4 -","- C141 H240 O8 Si12 Y8 -","2","1","","Olivier Tardif; Daisuke Hashizume; Zhaomin Hou","Hydrogenation of Carbon Dioxide and Aryl Isocyanates by a Tetranuclear Tetrahydrido Yttrium Complex. Isolation, Structures, and CO2 Insertion Reactions of Methylene Diolate and μ3-Oxo Yttrium Complexes","Journal of the American Chemical Society","2004","126","","8080","8081","10.1021/ja047889u","","","0.71073","MoKα","","0.1501","0.0532","","","0.097","0.118","","","","","","0.844","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112716","26.15","0.002","12.1801","0.0011","23.553","0.002","90","","111.15","0.002","90","","6996.5","1","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H106 O5 Si6 Y4 -","- C60 H106 O5 Si6 Y4 -","- C240 H424 O20 Si24 Y16 -","4","0.5","","Olivier Tardif; Daisuke Hashizume; Zhaomin Hou","Hydrogenation of Carbon Dioxide and Aryl Isocyanates by a Tetranuclear Tetrahydrido Yttrium Complex. Isolation, Structures, and CO2 Insertion Reactions of Methylene Diolate and μ3-Oxo Yttrium Complexes","Journal of the American Chemical Society","2004","126","","8080","8081","10.1021/ja047889u","","","0.71073","MoKα","","0.073","0.0366","","","0.0651","0.0699","","","","","","0.768","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112717","12.2223","0.0014","13.9952","0.0016","24.05","0.003","97.319","0.002","92.998","0.002","92.442","0.002","4069.7","0.8","203","1","203","1","","","","","","","","5","P -1","-P 1","2","","","","- C74 H120 O6 Si6 Y4 -","- C74 H104 O6 Si6 Y4 -","- C148 H208 O12 Si12 Y8 -","2","1","","Olivier Tardif; Daisuke Hashizume; Zhaomin Hou","Hydrogenation of Carbon Dioxide and Aryl Isocyanates by a Tetranuclear Tetrahydrido Yttrium Complex. Isolation, Structures, and CO2 Insertion Reactions of Methylene Diolate and μ3-Oxo Yttrium Complexes","Journal of the American Chemical Society","2004","126","","8080","8081","10.1021/ja047889u","","","0.71073","MoKα","","0.0889","0.0468","","","0.1067","0.1192","","","","","","1.004","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112718","12.0952","0.0008","25.5168","0.0016","26.5227","0.0016","90","","90","","90","","8185.7","0.9","203","1","203","1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C76 H122 O2 Si6 Y4 -","- C76 H116 O2 Si6 Y4 -","- C304 H464 O8 Si24 Y16 -","4","0.5","","Olivier Tardif; Daisuke Hashizume; Zhaomin Hou","Hydrogenation of Carbon Dioxide and Aryl Isocyanates by a Tetranuclear Tetrahydrido Yttrium Complex. Isolation, Structures, and CO2 Insertion Reactions of Methylene Diolate and μ3-Oxo Yttrium Complexes","Journal of the American Chemical Society","2004","126","","8080","8081","10.1021/ja047889u","","","0.71073","MoKα","","0.1048","0.0418","","","0.0729","0.0833","","","","","","0.947","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112719","12.5184","0.001","12.7826","0.001","26.647","0.002","78.28","0.002","84.195","0.002","88.834","0.002","4153.7","0.6","153","1","153","1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H124 O Si6 Y4 -","- C76 H123.44 O Si6 Y4 -","- C152 H246.88 O2 Si12 Y8 -","2","1","","Olivier Tardif; Daisuke Hashizume; Zhaomin Hou","Hydrogenation of Carbon Dioxide and Aryl Isocyanates by a Tetranuclear Tetrahydrido Yttrium Complex. Isolation, Structures, and CO2 Insertion Reactions of Methylene Diolate and μ3-Oxo Yttrium Complexes","Journal of the American Chemical Society","2004","126","","8080","8081","10.1021/ja047889u","","","0.71073","MoKα","","0.0784","0.0392","","","0.0769","0.0847","","","","","","0.911","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112720","14.662","0.005","14.817","0.006","16.08","0.005","90","","94.063","0.03","90","","3485","2","","","20","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H61 Br2 Ni2 P4 -","- C26 H61 Br2 Ni2 P4 -","- C104 H244 Br8 Ni8 P16 -","4","1","","David A. Vicic; Thomas J. Anderson; John A. Cowan; Arthur J. Schultz","Synthesis, Structure, and Reactivity of a Dinuclear Metal Complex with Linear M-H-M Bonding","Journal of the American Chemical Society","2004","126","","8132","8133","10.1021/ja047956k","","neutron","","neutron","","","","","","","","","","1.39","","","","","","","has coordinates,has Fobs","178898","2020-10-21","18:00:00",""
"4112721","7.479","0.005","15.246","0.013","19.93","0.02","90","","90","","90","","2273","3","173","","","","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C13 H30 Br2 N2 Ni2 O2 P2 -","- C13 H30 Br2 N2 Ni2 O2 P2 -","- C52 H120 Br8 N8 Ni8 O8 P8 -","4","0.5","","David A. Vicic; Thomas J. Anderson; John A. Cowan; Arthur J. Schultz","Synthesis, Structure, and Reactivity of a Dinuclear Metal Complex with Linear M-H-M Bonding","Journal of the American Chemical Society","2004","126","","8132","8133","10.1021/ja047956k","","","0.7107","MoKα","","","0.083","","","","0.236","","","","","","1.15","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112722","10.74","0.04","22.33","0.08","14.66","0.07","90","","101.5","0.1","90","","3445","2","173","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H61 Br Ni2 P4 -","- C26 H61 Br Ni2 P4 -","- C104 H244 Br4 Ni8 P16 -","4","1","","David A. Vicic; Thomas J. Anderson; John A. Cowan; Arthur J. Schultz","Synthesis, Structure, and Reactivity of a Dinuclear Metal Complex with Linear M-H-M Bonding","Journal of the American Chemical Society","2004","126","","8132","8133","10.1021/ja047956k","","","0.7107","MoKα","","","0.104","","","","0.226","","","","","","1.164","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112723","11.337","0.011","15.64","0.01","19.15","0.03","90","","92.59","0.04","90","","3392","7","173","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H59 Br Ni2 P4 -","- C26 H59 Br Ni2 P4 -","- C104 H236 Br4 Ni8 P16 -","4","1","","David A. Vicic; Thomas J. Anderson; John A. Cowan; Arthur J. Schultz","Synthesis, Structure, and Reactivity of a Dinuclear Metal Complex with Linear M-H-M Bonding","Journal of the American Chemical Society","2004","126","","8132","8133","10.1021/ja047956k","","","0.7107","MoKα","","","0.136","","","","0.415","","","","","","1.41","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112724","3.9546","0.0008","3.9546","0.0008","14.611","0.003","90","","90","","90","","228.5","0.08","150","2","293","2","","","","","","","","2","I 4/m m m","-I 4 2","139","titanium antimonide","Titanium antimonide","","- Sb Ti2 -","- Sb Ti2 -","- Sb4 Ti8 -","4","0.125","","Shahab Derakhshan; Abdeljalil Assoud; Katja M. Kleinke; Enkhtsetseg Dashjav; Xiangyun Qiu; Simon J. L. Billinge; Holger Kleinke","Planar Nets of Ti Atoms Comprising Squares and Rhombs in the New Binary Antimonide Ti2Sb","Journal of the American Chemical Society","2004","126","","8295","8302","10.1021/ja048262e","","","0.71073","MoKα","","0.0293","0.0252","","","0.057","0.0577","","","","","","1.026","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112725","8.548","0.002","10.347","0.004","14.667","0.003","96.19","0.02","102.92","0.01","110.07","0.02","1163.2","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","4,4'-bis(tricyclohexylstannylmethyl)biphenyl","","- C25 H39 Sn -","- C25 H39 Sn -","- C50 H78 Sn2 -","2","1","","Hicham Elhamzaoui; Bernard Jousseaume; Hocine Riague; Thierry Toupance; Philippe Dieudonné; Cécile Zakri; Maryse Maugey; Hassan Allouchi","Self-Assembled Tin-Based Bridged Hybrid Materials","Journal of the American Chemical Society","2004","126","","8130","8131","10.1021/ja048272f","","","0.71073","MoKα","","0.1514","0.0797","","","0.1838","0.2089","","","","","","1.054","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112726","13.8","0.05","18.43","0.06","18.41","0.07","73.6","0.3","68.1","0.3","68","0.2","3972","3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N3 Ni -","- C16 H14 N3 Ni -","- C192 H168 N36 Ni12 -","12","6","","Thomas J. Anderson; Gavin D. Jones; David A. Vicic","Evidence for a NiI Active Species in the Catalytic Cross-Coupling of Alkyl Electrophiles","Journal of the American Chemical Society","2004","126","","8100","8101","10.1021/ja0483903","","","0.7107","MoKα","","0.349","0.1867","","","0.2776","0.3508","","","","","","1.173","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112727","10.429","0.012","12.149","0.008","21.08","0.02","90","","99.985","0.006","90","","2630","4","173","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 I N3 Ni -","- C27 H35 I N3 Ni -","- C108 H140 I4 N12 Ni4 -","4","1","","Thomas J. Anderson; Gavin D. Jones; David A. Vicic","Evidence for a NiI Active Species in the Catalytic Cross-Coupling of Alkyl Electrophiles","Journal of the American Chemical Society","2004","126","","8100","8101","10.1021/ja0483903","","","0.7107","MoKα","","","0.04","","","","0.113","","","","","","1.125","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112728","17.6581","0.0015","10.4884","0.0009","16.0575","0.0013","90","","104.633","0.002","90","","2877.5","0.4","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 B2 F8 -","- C36 H26 B2 F8.128 -","- C144 H104 B8 F32.512 -","4","1","","Huadong Wang; Charles Edwin Webster; Lisa M. Pérez; Michael B. Hall; François P. Gabbaï","Reaction of the 1,8-Bis(diphenylmethylium)naphthalenediyl Dication with Fluoride: Formation of a Cation Containing a C-F\ρightarrowC Bridge","Journal of the American Chemical Society","2004","126","","8189","8196","10.1021/ja048501y","","","0.71073","MoKα","","0.087","0.0622","","","0.1456","0.1711","","","","","","1.087","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112729","10.19","0.002","10.273","0.002","14.506","0.003","110.71","0.03","104.54","0.03","95.19","0.03","1347.7","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 B F5 -","- C36 H26 B F5 -","- C72 H52 B2 F10 -","2","1","","Huadong Wang; Charles Edwin Webster; Lisa M. Pérez; Michael B. Hall; François P. Gabbaï","Reaction of the 1,8-Bis(diphenylmethylium)naphthalenediyl Dication with Fluoride: Formation of a Cation Containing a C-F\ρightarrowC Bridge","Journal of the American Chemical Society","2004","126","","8189","8196","10.1021/ja048501y","","","0.71073","MoKα","","0.0389","0.0325","","","0.0821","0.0868","","","","","","1.032","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112730","9.938","0.003","22.373","0.006","7.4112","0.0019","90","","111.761","0.004","90","","1530.4","0.7","293","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TBDTA","[1,2,5]thiadiazaolo[3,4-f][1,3,2]benzodithiazol-2-yl","","- C6 H2 N3 S3 -","- C6 H2 N3 S3 -","- C48 H16 N24 S24 -","8","2","","Jaclyn L. Brusso; Owen P. Clements; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; John F. Richardson","Bistabilities in 1,3,2-Dithiazolyl Radicals","Journal of the American Chemical Society","2004","126","","8256","8265","10.1021/ja048618m","","","0.71073","MoKα","","0.0677","0.0423","","","0.0915","0.1015","","","","","","1.026","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112731","9.8847","0.0006","22.1526","0.0014","7.2905","0.0005","90","","111.549","0.001","90","","1484.83","0.17","95","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TBDTA","[1,2,5]thiadiazaolo[3,4-f][1,3,2]benzodithiazol-2-yl","","- C6 H2 N3 S3 -","- C6 H2 N3 S3 -","- C48 H16 N24 S24 -","8","2","","Jaclyn L. Brusso; Owen P. Clements; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; John F. Richardson","Bistabilities in 1,3,2-Dithiazolyl Radicals","Journal of the American Chemical Society","2004","126","","8256","8265","10.1021/ja048618m","","","0.71073","MoKα","","0.0383","0.0303","","","0.0691","0.0718","","","","","","1.06","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112732","6.9963","0.0007","7.8859","0.0007","11.4386","0.0011","110.257","0.001","95.155","0.002","103.625","0.002","565.14","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","PDTA","[1,3,2]pyrazinodithiazol-2-yl","","- C4 H2 N3 S2 -","- C4 H2 N3 S2 -","- C16 H8 N12 S8 -","4","2","","Jaclyn L. Brusso; Owen P. Clements; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; John F. Richardson","Bistabilities in 1,3,2-Dithiazolyl Radicals","Journal of the American Chemical Society","2004","126","","8256","8265","10.1021/ja048618m","","","0.71073","MoKα","","0.0486","0.0341","","","0.0879","0.0949","","","","","","1.052","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112733","6.8564","0.0008","7.8466","0.0009","11.3107","0.0013","109.965","0.002","94.944","0.002","103.483","0.002","546.95","0.11","95","2","95","2","","","","","","","","4","P -1","-P 1","2","PDTA","[1,3,2]pyrazinodithiazol-2-yl","","- C4 H2 N3 S2 -","- C4 H2 N3 S2 -","- C16 H8 N12 S8 -","4","2","","Jaclyn L. Brusso; Owen P. Clements; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; John F. Richardson","Bistabilities in 1,3,2-Dithiazolyl Radicals","Journal of the American Chemical Society","2004","126","","8256","8265","10.1021/ja048618m","","","0.71073","MoKα","","0.0527","0.0339","","","0.0801","0.0874","","","","","","1.02","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112734","11.79","0.001","17.993","0.001","19.885","0.001","90","","107.295","0.002","90","","4027.6","0.5","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C77 H94 N2 O14 P2 W4 -","- C77 H94 N2 O14 P2 W4 -","- C154 H188 N4 O28 P4 W8 -","2","1","","Malcolm H. Chisholm; Robin J. H. Clark; Judith Gallucci; Christopher M. Hadad; Nathan J. Patmore","Electronically-Coupled Tungsten-Tungsten Quadruple Bonds: Comparisons of Electron Delocalization in 3,6-Dioxypyridazine and Oxalate-Bridged Compounds","Journal of the American Chemical Society","2004","126","","8303","8313","10.1021/ja048768x","","","0.71073","MoKα","","0.0355","0.0286","","","0.0592","0.0614","","","","","","1.033","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112735","19.915","0.001","34.809","0.002","20.334","0.001","90","","109.895","0.003","90","","13254.7","1.2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H88 F6 N2 O18 P W4 -","- C50 H88 F6 N2 O18 P W4 -","- C400 H704 F48 N16 O144 P8 W32 -","8","2","","Malcolm H. Chisholm; Robin J. H. Clark; Judith Gallucci; Christopher M. Hadad; Nathan J. Patmore","Electronically-Coupled Tungsten-Tungsten Quadruple Bonds: Comparisons of Electron Delocalization in 3,6-Dioxypyridazine and Oxalate-Bridged Compounds","Journal of the American Chemical Society","2004","126","","8303","8313","10.1021/ja048768x","","","0.71073","MoKα","","0.0995","0.0443","","","0.1085","0.1279","","","","","","1.019","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112736","15.0844","0.0018","11.137","0.002","27.709","0.005","90","0.003","90","0.003","90","0.003","4655","1.3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H18 Cd F12 N2 O4 -","- C16 H18 Cd F12.018 N2 O4 -","- C128 H144 Cd8 F96.144 N16 O32 -","8","1","","Andrew W. Metz; John R. Ireland; Jian-Guo Zheng; Ricardo P. S. M. Lobo; Yu Yang; Jun Ni; Charlotte L. Stern; Vinayak P. Dravid; Nicole Bontemps; Carl R. Kannewurf; Kenneth R. Poeppelmeier; Tobin J. Marks","Transparent Conducting Oxides: Texture and Microstructure Effects on Charge Carrier Mobility in MOCVD-Derived CdO Thin Films Grown with A Thermally Stable, Low-Melting Precursor","Journal of the American Chemical Society","2004","126","","8477","8492","10.1021/ja039232z","","","0.71069","MoKα","","0.0659","0.0593","","","0.1248","0.1292","","","","","","1.171","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112737","9.191","0.006","17.281","0.011","16.136","0.011","90","0.01","94.47","0.01","90","0.01","2555","3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cd F12 N2 O4 -","- C18 H22 Cd F12 N2 O4 -","- C72 H88 Cd4 F48 N8 O16 -","4","1","","Andrew W. Metz; John R. Ireland; Jian-Guo Zheng; Ricardo P. S. M. Lobo; Yu Yang; Jun Ni; Charlotte L. Stern; Vinayak P. Dravid; Nicole Bontemps; Carl R. Kannewurf; Kenneth R. Poeppelmeier; Tobin J. Marks","Transparent Conducting Oxides: Texture and Microstructure Effects on Charge Carrier Mobility in MOCVD-Derived CdO Thin Films Grown with A Thermally Stable, Low-Melting Precursor","Journal of the American Chemical Society","2004","126","","8477","8492","10.1021/ja039232z","","","0.71069","MoKα","","0.0817","0.063","","","0.183","0.2069","","","","","","1.027","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112738","9.854","0.001","13.947","0.002","13.89","0.002","90","","114.56","0.01","90","","1736.2","0.4","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","David Tejedor; David González-Cruz; Fernando García-Tellado; José Juan Marrero-Tellado; Matías López Rodríguez","A Diversity-Oriented Strategy for the Construction of Tetrasubstituted Pyrroles via Coupled Domino Processes","Journal of the American Chemical Society","2004","126","","8390","8391","10.1021/ja047396p","","","0.71073","MoKα","","0.0821","0.0751","","","0.1943","0.2015","","","","","","1.014","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112739","13.976","0.001","4.109","0.0001","10.927","0.001","90","","110.118","0.007","90","","589.22","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H3 S3 -","- C5 H3 S3 -","- C20 H12 S12 -","4","1","","Marta Mas-Torrent; Peter Hadley; Stefan T. Bromley; Xavi Ribas; Judit Tarrés; Montserrat Mas; Elies Molins; Jaume Veciana; Concepció Rovira","Correlation between Crystal Structure and Mobility in Organic Field-Effect Transistors Based on Single Crystals of Tetrathiafulvalene Derivatives","Journal of the American Chemical Society","2004","126","","8546","8553","10.1021/ja048342i","","","0.70926","","","0.0861","0.0342","","","0.0852","0.0992","","","","","","1.052","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112740","6.379","0.003","7.835","0.009","12.3","0.01","102.53","0.06","93.15","0.06","92.89","0.06","598","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 S6 -","- C10 H8 S6 -","- C20 H16 S12 -","2","1","","Marta Mas-Torrent; Peter Hadley; Stefan T. Bromley; Xavi Ribas; Judit Tarrés; Montserrat Mas; Elies Molins; Jaume Veciana; Concepció Rovira","Correlation between Crystal Structure and Mobility in Organic Field-Effect Transistors Based on Single Crystals of Tetrathiafulvalene Derivatives","Journal of the American Chemical Society","2004","126","","8546","8553","10.1021/ja048342i","","","0.70926","","","0.0792","0.0522","","","0.1583","0.174","","","","","","1.055","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112741","12.2734","0.001","12.3288","0.001","25.6","0.002","91.116","0.001","101.014","0.001","118.295","0.001","3320.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H34 B N7 O S Zn -","- C36 H34 B N7 O S Zn -","- C144 H136 B4 N28 O4 S4 Zn4 -","4","2","","David T. Puerta; Jana A. Lewis; Seth M. Cohen","New Beginnings for Matrix Metalloproteinase Inhibitors: Identification of High-Affinity Zinc-Binding Groups","Journal of the American Chemical Society","2004","126","","8388","8389","10.1021/ja0485513","","","0.71073","MoKα","","0.0888","0.0738","","","0.1787","0.1864","","","","","","1.067","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112742","11.7126","0.0012","18.0552","0.0019","25.683","0.003","106.762","0.002","90.346","0.002","104.607","0.002","5014.2","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H36 B N7 O S Zn -","- C37 H36 B N7 O S Zn -","- C222 H216 B6 N42 O6 S6 Zn6 -","6","3","","David T. Puerta; Jana A. Lewis; Seth M. Cohen","New Beginnings for Matrix Metalloproteinase Inhibitors: Identification of High-Affinity Zinc-Binding Groups","Journal of the American Chemical Society","2004","126","","8388","8389","10.1021/ja0485513","","","0.71073","MoKα","","0.1102","0.0648","","","0.1177","0.1324","","","","","","1.028","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112743","26.5165","0.0015","26.5165","0.0015","27.736","0.002","90","","90","","120","","16889.1","1.8","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C38 H35 B N6 O2 S Zn -","- C38 H35 B N6 O2 S Zn -","- C684 H630 B18 N108 O36 S18 Zn18 -","18","1","","David T. Puerta; Jana A. Lewis; Seth M. Cohen","New Beginnings for Matrix Metalloproteinase Inhibitors: Identification of High-Affinity Zinc-Binding Groups","Journal of the American Chemical Society","2004","126","","8388","8389","10.1021/ja0485513","","","0.71073","MoKα","","0.0908","0.0665","","","0.1967","0.2107","","","","","","0.981","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112744","10.6259","0.0001","15.5533","0.0001","17.0817","0.0001","87.7054","0.0003","73.0004","0.0003","74.681","0.0003","2601.67","0.03","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H48 N Ni P3 S3 Se -","- C60 H48 N Ni P3 S3 Se -","- C120 H96 N2 Ni2 P6 S6 Se2 -","2","1","","Chien-Ming Lee; Chien-Hong Chen; Shyue-Chu Ke; Gene-Hsiang Lee; Wen-Feng Liaw","Mononuclear Nickel(III) and Nickel(II) Thiolate Complexes with Intramolecular S-H Proton Interacting with Both Sulfur and Nickel: Relevance to the [NiFe]/[NiFeSe] Hydrogenases","Journal of the American Chemical Society","2004","126","","8406","8412","10.1021/ja048568l","","","0.71073","MoKα","","0.0754","0.0459","","","0.1069","0.1375","","","","","","1.107","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112745","10.6126","0.0001","15.4981","0.0001","17.0564","0.0001","88.5126","0.0003","72.4657","0.0003","75.9386","0.0003","2591.47","0.03","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H46 N Ni P3 S5 -","- C58 H46 N Ni P3 S5 -","- C116 H92 N2 Ni2 P6 S10 -","2","1","","Chien-Ming Lee; Chien-Hong Chen; Shyue-Chu Ke; Gene-Hsiang Lee; Wen-Feng Liaw","Mononuclear Nickel(III) and Nickel(II) Thiolate Complexes with Intramolecular S-H Proton Interacting with Both Sulfur and Nickel: Relevance to the [NiFe]/[NiFeSe] Hydrogenases","Journal of the American Chemical Society","2004","126","","8406","8412","10.1021/ja048568l","","","0.71073","MoKα","","0.0843","0.0543","","","0.1379","0.1641","","","","","","1.099","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112746","10.1387","0.0005","14.0357","0.0008","19.3833","0.0011","90","","90.108","0.002","90","","2758.3","0.3","150","1","150","1","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C64 H55 N Ni O P3 S3 Se -","- C64 H55 N Ni O P3 S3 Se -","- C128 H110 N2 Ni2 O2 P6 S6 Se2 -","2","1","","Chien-Ming Lee; Chien-Hong Chen; Shyue-Chu Ke; Gene-Hsiang Lee; Wen-Feng Liaw","Mononuclear Nickel(III) and Nickel(II) Thiolate Complexes with Intramolecular S-H Proton Interacting with Both Sulfur and Nickel: Relevance to the [NiFe]/[NiFeSe] Hydrogenases","Journal of the American Chemical Society","2004","126","","8406","8412","10.1021/ja048568l","","","0.71073","MoKα","","0.0704","0.0526","","","0.1014","0.1168","","","","","","1.029","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112747","10.1789","0.0001","13.9338","0.0001","19.1972","0.0002","90","","91.5874","0.0003","90","","2721.71","0.04","150","1","150","1","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C62 H53 N Ni O P3 S5 -","- C62 H53 N Ni O P3 S5 -","- C124 H106 N2 Ni2 O2 P6 S10 -","2","1","","Chien-Ming Lee; Chien-Hong Chen; Shyue-Chu Ke; Gene-Hsiang Lee; Wen-Feng Liaw","Mononuclear Nickel(III) and Nickel(II) Thiolate Complexes with Intramolecular S-H Proton Interacting with Both Sulfur and Nickel: Relevance to the [NiFe]/[NiFeSe] Hydrogenases","Journal of the American Chemical Society","2004","126","","8406","8412","10.1021/ja048568l","","","0.71073","MoKα","","0.0645","0.0486","","","0.1142","0.1341","","","","","","1.096","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112748","15.054","0.004","15.617","0.004","17.04","0.005","90","","90","","90","","4006.1","1.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H35 Cl N Rh -","- C19 H35 Cl N Rh -","- C152 H280 Cl8 N8 Rh8 -","8","1","","Vincent Lavallo; John Mafhouz; Yves Canac; Bruno Donnadieu; Wolfgand W. Schoeller; Guy Bertrand","Synthesis, Reactivity, and Ligand Properties of a Stable Alkyl Carbene","Journal of the American Chemical Society","2004","126","","8670","8671","10.1021/ja047503f","","","0.71073","MoKα","","0.0397","0.0284","","","0.0676","0.0767","","","","","","1.076","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112749","15.7564","0.0006","10.855","0.0009","6.9155","0.0012","90","","90","","90","","1182.8","0.2","223","2","223","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C5.5 H11.5 N0.5 -","- C5.5 H11.5 N0.5 -","- C44 H92 N4 -","8","1","","Vincent Lavallo; John Mafhouz; Yves Canac; Bruno Donnadieu; Wolfgand W. Schoeller","Synthesis, Reactivity, and Ligand Properties of a Stable Alkyl Carbene","Journal of the American Chemical Society","2004","126","","8670","8671","10.1021/ja047503f","","","0.71073","","","0.0609","0.0495","","","0.1326","0.1469","","","","","","1.04","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112750","15.367","0.002","8.8154","0.0014","12.4772","0.0019","90","","113.926","0.003","90","","1545","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 N O2 -","- C15 H29 N O2 -","- C60 H116 N4 O8 -","4","1","","Vincent Lavallo; John Mafhouz; Yves Canac; Bruno Donnadieu; Wolfgand W. Schoeller","Synthesis, Reactivity, and Ligand Properties of a Stable Alkyl Carbene","Journal of the American Chemical Society","2004","126","","8670","8671","10.1021/ja047503f","","","0.71073","MoKα","","0.0584","0.0434","","","0.1083","0.1178","","","","","","1.043","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112751","11.1359","0.0008","14.2633","0.0011","12.4072","0.0009","90","","92.098","0.001","90","","1969.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(tert-Butyldimethylsilyl)-3-(4-methoxyphenyl)-2-phenyl-2H-azirine","","- C21 H27 N O Si -","- C21 H27 N O Si -","- C84 H108 N4 O4 Si4 -","4","1","","Kazunari Yagi; Takayuki Tsuritani; Kazuaki Takami; Hiroshi Shinokubo; Koichiro Oshima","Reaction of Silyldihalomethyllithiums with Nitriles: Formation of α-Keto Acylsilanes via Azirines and 1,3-Rearrangement of Silyl Group from C to N","Journal of the American Chemical Society","2004","126","","8618","8619","10.1021/ja047708o","","","0.71073","MoKα","","0.0691","0.0541","","","0.1581","0.1782","","","","","","0.669","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112752","16.8736","0.0009","13.7378","0.0008","17.1988","0.0009","90","","95.827","0.001","90","","3966.2","0.4","223.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 O2 -","- C27 H20 O2 -","- C216 H160 O16 -","8","1","","Hiroyuki Wakui; Satoshi Kawasaki; Tetsuya Satoh; Masahiro Miura; Masakatsu Nomura","Palladium-Catalyzed Reaction of 2-Hydroxy-2-methylpropiophenone with Aryl Bromides: A Unique Multiple Arylation via Successive C-C and C-H Bond Cleavages","Journal of the American Chemical Society","2004","126","","8658","8659","10.1021/ja0477874","","","0.7107","MoKα","","","0.0968","","","","0.1871","","","","","","1.577","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112753","9.9538","0.0013","22.3646","0.0016","14.2594","0.0013","90","","91.787","0.008","90","","3172.8","0.6","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H43 N2 Re S -","- C33 H43 N2 Re S -","- C132 H172 N8 Re4 S4 -","4","1","","Xiaoyan Li; Markus Schopf; Jürgen Stephan; Jennifer Kippe; Klaus Harms; Jörg Sundermeyer","Simple Synthesis of an Allenylidene Heptavalent Rhenium(d0) Complex","Journal of the American Chemical Society","2004","126","","8660","8661","10.1021/ja048030f","","","0.71073","MoKα","","0.1168","0.0493","","","0.1114","0.1321","","","","","","0.844","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112754","11.196","0.001","8.7892","0.0007","13.566","0.001","90","","108.307","0.002","90","","1267.38","0.18","285.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H28 N O4 P -","- C29 H26 N O4 P -","- C58 H52 N2 O8 P2 -","2","1","","Shigeki Matsunaga; Takamasa Yoshida; Hiroyuki Morimoto; Naoya Kumagai; Masakatsu Shibasaki","Direct Catalytic Asymmetric Mannich-type Reaction of Hydroxyketone Using a Et2Zn/Linked-BINOL Complex: Synthesis of Either anti- or syn-β-Amino Alcohols","Journal of the American Chemical Society","2004","126","","8777","8785","10.1021/ja0482435","","","0.7107","MoKα","","","0.0386","","","","0.0893","","","","","","0.737","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112755","9.4052","0.0008","10.23","0.001","23.815","0.002","90","","97.492","0.003","90","","2271.8","0.4","298.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 N O5 -","- C25 H25 N O5 -","- C100 H100 N4 O20 -","4","1","","Shigeki Matsunaga; Takamasa Yoshida; Hiroyuki Morimoto; Naoya Kumagai; Masakatsu Shibasaki","Direct Catalytic Asymmetric Mannich-type Reaction of Hydroxyketone Using a Et2Zn/Linked-BINOL Complex: Synthesis of Either anti- or syn-β-Amino Alcohols","Journal of the American Chemical Society","2004","126","","8777","8785","10.1021/ja0482435","","","0.7107","MoKα","","","0.05","","","","0.13","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112756","15.016","0.0012","15.016","0.0011","15.016","0.0013","90","0.006","90","0.007","90","0.006","3385.8","0.5","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C16 H72 O64 Zn8 -","- C16 O63.976 Zn8 -","- C32 O127.952 Zn16 -","2","0.0416667","","Brendan F. Abrahams; Timothy A. Hudson; Richard Robson","Highly Symmetric Networks Derived from Cubane-Related Octametallic Complexes of a New Oxyanion of Carbon, C4O74-, Each Molecule Attached to Eight Neighbors by 24 Equivalent Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","8624","8625","10.1021/ja048293+","","","1.5418","CuKα","","0.0248","0.0248","","","0.0652","0.0653","","","","","","1.132","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112757","15.012","0.003","15.012","0.003","15.012","0.003","90","","90","","90","","3383.1","1.2","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C16 H72 Co8 O64 -","- C16 Co8 O63.796 -","- C32 Co16 O127.592 -","2","0.0416667","","Brendan F. Abrahams; Timothy A. Hudson; Richard Robson","Highly Symmetric Networks Derived from Cubane-Related Octametallic Complexes of a New Oxyanion of Carbon, C4O74-, Each Molecule Attached to Eight Neighbors by 24 Equivalent Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","8624","8625","10.1021/ja048293+","","","0.71069","MoKα","","0.0406","0.0346","","","0.0844","0.0876","","","","","","1.108","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112758","15.0971","0.0019","15.0971","0.0019","15.0971","0.0019","90","","90","","90","","3441","0.8","273","2","273","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C16 H72 Fe8 O64 -","- C16 Fe8 O64.06 -","- C32 Fe16 O128.12 -","2","0.0416667","","Brendan F. Abrahams; Timothy A. Hudson; Richard Robson","Highly Symmetric Networks Derived from Cubane-Related Octametallic Complexes of a New Oxyanion of Carbon, C4O74-, Each Molecule Attached to Eight Neighbors by 24 Equivalent Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","8624","8625","10.1021/ja048293+","","","0.71073","MoKα","","0.0496","0.0432","","","0.0964","0.0987","","","","","","1.092","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112759","15.0053","0.0005","15.0053","0.0005","15.0053","0.0005","90","","90","","90","","3378.58","0.19","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C16 H72 Mg8 O64 -","- C16 Mg8 O62.62 -","- C32 Mg16 O125.24 -","2","0.0416667","","Brendan F. Abrahams; Timothy A. Hudson; Richard Robson","Highly Symmetric Networks Derived from Cubane-Related Octametallic Complexes of a New Oxyanion of Carbon, C4O74-, Each Molecule Attached to Eight Neighbors by 24 Equivalent Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","8624","8625","10.1021/ja048293+","","","1.5418","CuKα","","0.068","0.0585","","","0.1561","0.1664","","","","","","1.138","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112760","49.8735","0.0011","10.8667","0.0003","18.3822","0.0004","90","","110","","90","","9361.6","0.4","183.2","","183.2","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C47 H46 B Cl4 F4 Ir N2 P2 -","- C47 H46 B Cl4 F4 Ir N2 P2 -","- C376 H368 B8 Cl32 F32 Ir8 N16 P16 -","8","1","","Eric Clot; Junyi Chen; Dong-Heon Lee; So Young Sung; Leah N. Appelhans; Jack W. Faller; Robert H. Crabtree; Odile Eisenstein","Double Geminal C-H Activation and Reversible α-Elimination in 2-Aminopyridine Iridium(III) Complexes: The Role of Hydrides and Solvent in Flattening the Free Energy Surface","Journal of the American Chemical Society","2004","126","","8795","8804","10.1021/ja048473j","","","0.7107","MoKα","","0.0747","0.039","","0.06","","0.05","","","1.26","","","1.43","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112761","19.745","0.0015","16.541","0.002","20.034","0.003","90","","91.675","0.006","90","","6540.3","1.4","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","C60Me5Ph5O3(OH)2","","- C104 H46 Cl1.5 O4 -","- C104 H46 Cl1.5 O4 -","- C416 H184 Cl6 O16 -","4","1","","Yutaka Matsuo; Kazukuni Tahara; Masaya Sawamura; Eiichi Nakamura","Creation of Hoop- and Bowl-Shaped Benzenoid Systems by Selective Detraction of [60]Fullerene Conjugation. [10]Cyclophenacene and Fused Corannulene Derivatives","Journal of the American Chemical Society","2004","126","","8725","8734","10.1021/ja048683w","","x-ray","0.71073","MoKα","","0.2426","0.1447","","","0.3653","0.4266","","","","","","1.265","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112762","14.992","0.0017","27.547","0.002","32.73","0.0014","90","","97.044","0.005","90","","13415","1.9","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","Pd-allyl-C60Ph5Me5CN","","- C105 H50 Cl N Pd -","- C105 H50 Cl N Pd -","- C840 H400 Cl8 N8 Pd8 -","8","2","","Yutaka Matsuo; Kazukuni Tahara; Masaya Sawamura; Eiichi Nakamura","Creation of Hoop- and Bowl-Shaped Benzenoid Systems by Selective Detraction of [60]Fullerene Conjugation. [10]Cyclophenacene and Fused Corannulene Derivatives","Journal of the American Chemical Society","2004","126","","8725","8734","10.1021/ja048683w","","x-ray","0.71073","MoKα","","0.1801","0.1054","","","0.2705","0.324","","","","","","0.993","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112763","14.346","0.0007","14.583","0.0014","32.122","0.003","90","","90","","90","","6720.2","1","193","2","193","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","RhC60Me5CNPh3codTHF3","","- C104 H66 N O3 Rh -","- C104 H66 N O3 Rh -","- C416 H264 N4 O12 Rh4 -","4","1","","Yutaka Matsuo; Kazukuni Tahara; Masaya Sawamura; Eiichi Nakamura","Creation of Hoop- and Bowl-Shaped Benzenoid Systems by Selective Detraction of [60]Fullerene Conjugation. [10]Cyclophenacene and Fused Corannulene Derivatives","Journal of the American Chemical Society","2004","126","","8725","8734","10.1021/ja048683w","","x-ray","0.71073","MoKα","","0.0955","0.0789","","","0.1981","0.2162","","","","","","1.041","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112764","11.562","0.0004","12.244","0.0005","15.14","0.0008","74.269","0.0018","80.129","0.0015","84.017","0.004","2028.71","0.15","130","2","130","2","","","","","","","","7","P -1","-P 1","2","CpsIrdmpmCl","[Cp*Ir(dmpm)Cl][BArF4]","","- C39 H29 B Cl F20 Ir P2 -","- C39 H29 B Cl F20 Ir P2 -","- C78 H58 B2 Cl2 F40 Ir2 P4 -","2","1","","Ricard Gelabert; Miquel Moreno; José M. Lluch; Agustí Lledós; Vincent Pons; Michael D. Heinekey","Synthesis and Properties of Compressed Dihydride Complexes of Iridium: Theoretical and Spectroscopic Investigations","Journal of the American Chemical Society","2004","126","","8813","8822","10.1021/ja048775l","","","0.71073","MoKα","","0.0811","0.0545","","","0.1101","0.1191","","","","","","0.997","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112765","16.7925","0.0006","16.7925","0.0006","17.456","0.0009","90","","90","","90","","4922.4","0.4","203","","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","[Fe4(sap)4(MeOH)4]2H2O","","","- C44 H60 Fe4 N4 O14 -","- C11 H15 Fe N O3.5 -","- C176 H240 Fe16 N16 O56 -","16","1","","Hiroki Oshio; Norihisa Hoshino; Tasuku Ito; Motohiro Nakano","Single-Molecule Magnets of Ferrous Cubes: Structurally Controlled Magnetic Anisotropy","Journal of the American Chemical Society","2004","126","","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.04","0.0316","","","0.0847","0.0908","","","","","","1.032","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112766","17.0854","0.0018","17.0854","0.0018","18.391","0.002","90","","90","","90","","5368.5","1","203","","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","[Fe4(5-Br-sap)4(MeOH)4]","","- C44 H56 Br4 Fe4 N4 O12 -","- C44 H52 Br4 Fe4 N4 O12 -","- C176 H208 Br16 Fe16 N16 O48 -","4","0.25","","Hiroki Oshio; Norihisa Hoshino; Tasuku Ito; Motohiro Nakano","Single-Molecule Magnets of Ferrous Cubes: Structurally Controlled Magnetic Anisotropy","Journal of the American Chemical Society","2004","126","","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.0754","0.0612","","","0.1671","0.1763","","","","","","0.905","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112767","14.8579","0.0018","15.053","0.002","16.847","0.002","68.683","0.003","71.203","0.003","69.484","0.004","3204.5","0.7","203","","203","","","","","","","","","5","P -1","-P 1","2","","[Fe4(3-MeO-sap)4(MeOH)4]2MeOH","","- C50 H76 Fe4 N4 O18 -","- C50 H75 Fe4 N4 O18 -","- C100 H150 Fe8 N8 O36 -","2","1","","Hiroki Oshio; Norihisa Hoshino; Tasuku Ito; Motohiro Nakano","Single-Molecule Magnets of Ferrous Cubes: Structurally Controlled Magnetic Anisotropy","Journal of the American Chemical Society","2004","126","","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.1239","0.0812","","","0.253","0.2797","","","","","","0.933","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112768","13.3625","0.0007","13.7572","0.0007","14.2004","0.0007","66.538","0.001","74.973","0.001","71.105","0.001","2239.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","[Fe4(sae)4(MeOH)4]","","- C40 H52 Fe4 N4 O12 -","- C40 H36 Fe4 N4 O12 -","- C80 H72 Fe8 N8 O24 -","2","1","","Hiroki Oshio; Norihisa Hoshino; Tasuku Ito; Motohiro Nakano","Single-Molecule Magnets of Ferrous Cubes: Structurally Controlled Magnetic Anisotropy","Journal of the American Chemical Society","2004","126","","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.0477","0.0338","","","0.0898","0.0959","","","","","","1.022","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112769","14.609","0.003","16.08","0.003","21.98","0.004","80.253","0.006","87.931","0.007","86.608","0.007","5078.1","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","[Fe4(5-Br-sae)4(MeOH)4]","","- C42 H56 Br4 Fe4 N4 O14 -","- C41 H44 Br4 Fe4 N4 O13 -","- C164 H176 Br16 Fe16 N16 O52 -","4","2","","Hiroki Oshio; Norihisa Hoshino; Tasuku Ito; Motohiro Nakano","Single-Molecule Magnets of Ferrous Cubes: Structurally Controlled Magnetic Anisotropy","Journal of the American Chemical Society","2004","126","","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.1413","0.064","","","0.1376","0.1563","","","","","","0.785","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112770","16.5583","0.0009","16.5583","0.0009","18.7408","0.0015","90","","90","","90","","5138.3","0.6","203","","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","[Fe4(3,5-Cl2-sae)4(MeOH)4]","","- C40 H44 Cl8 Fe4 N4 O12 -","- C40 H44 Cl8 Fe4 N4 O12 -","- C160 H176 Cl32 Fe16 N16 O48 -","4","0.25","","Hiroki Oshio; Norihisa Hoshino; Tasuku Ito; Motohiro Nakano","Single-Molecule Magnets of Ferrous Cubes: Structurally Controlled Magnetic Anisotropy","Journal of the American Chemical Society","2004","126","","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.0533","0.0296","","","0.0591","0.0626","","","","","","0.845","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112771","11.8023","0.0007","5.5042","0.0003","14.5073","0.0008","90","","111.572","0.001","90","","876.42","0.09","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O4 -","- C21 H22 O4 -","- C42 H44 O8 -","2","1","","P. Andrew Evans; Michael J. Lawler","Regio- and Diastereoselective Rhodium-Catalyzed Allylic Substitution with Acyclic α-Alkoxy-Substituted Copper(I) Enolates: Stereodivergent Approach to 2,3,6-Trisubstituted Dihydropyrans","Journal of the American Chemical Society","2004","126","","8642","8643","10.1021/ja049080n","","","0.71073","MoKα","","0.0344","0.0294","","","0.0681","0.0715","","","","","","1.049","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4112772","12.944","0.018","27.2","0.05","8.28","0.01","90","","99.4","0.1","90","","2876","8","293","","293","","","","","","","","?","8","P 1 21/n 1","-P 2yn","14","","","","- C20.75 H34 B Cl Mo N6 O2 P -","- C20.75 H34 B Cl Mo N6 O2 P -","- C83 H136 B4 Cl4 Mo4 N24 O8 P4 -","4","1","","Victor N. Nemykin; Julia Laskin; Partha Basu","Isolation, Characterization of an Intermediate in an Oxygen Atom-Transfer Reaction, and the Determination of the Bond Dissociation Energy","Journal of the American Chemical Society","2004","126","","8604","8605","10.1021/ja049121f","","","0.71073","MoKα","","0.2289","0.0578","","0.3542","0.1275","0.1275","","","","","","0.9874","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112773","29.7502","0.0004","24.2689","0.0007","20.0769","0.0007","90","0","90","0","90","0","14495.6","0.7","298","","","","","","","","","","synthesis as described","4","F d d 2","F 2 -2d","43","","","","- C133 H32 Cl2 N2 -","- C132.5 H32 Cl2 N2 -","- C1060 H256 Cl16 N16 -","8","0.5","","Yutaka Matsuo; Kazukuni Tahara; Masaya Sawamura; Eiichi Nakamura","Creation of Hoop- and Bowl-Shaped Benzenoid Systems by Selective Detraction of [60]Fullerene Conjugation. [10]Cyclophenacene and Fused Corannulene Derivatives","Journal of the American Chemical Society","2004","126","","8725","8734","10.1021/ja048683w","","","0.71073","xray","","","0.033","","","0.036","","","","","3.112","3.112","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112774","13.267","0.0017","21.482","0.003","16.249","0.002","90","","90.439","0.003","90","","4630.9","1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C84 H70 F12 N10 O12 Rh2 S4 -","- C84 H70 F12 N10 O12 Rh2 S4 -","- C168 H140 F24 N20 O24 Rh4 S8 -","2","1","","Yan Lou; Manabu Horikawa; Robin A. Kloster; Natalie A. Hawryluk; E. J. Corey","A New Chiral Rh(II) Catalyst for Enantioselective [2 + 1]-Cycloaddition. Mechanistic Implications and Applications","Journal of the American Chemical Society","2004","126","","8916","8918","10.1021/ja047064k","","","0.71073","MoKα","","0.0839","0.0758","","","0.1792","0.1846","","","","","","1.181","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112775","14.2337","0.0014","13.821","0.0015","20.4729","0.0018","90","","91.568","0.002","90","","4026","0.7","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C74 H72 F12 N8 O16 Rh2 S4 -","- C74 H72 F12 N8 O16 Rh2 S4 -","- C148 H144 F24 N16 O32 Rh4 S8 -","2","1","","Yan Lou; Manabu Horikawa; Robin A. Kloster; Natalie A. Hawryluk; E. J. Corey","A New Chiral Rh(II) Catalyst for Enantioselective [2 + 1]-Cycloaddition. Mechanistic Implications and Applications","Journal of the American Chemical Society","2004","126","","8916","8918","10.1021/ja047064k","","","0.71073","MoKα","","0.1105","0.0741","","","0.1065","0.1188","","","","","","0.954","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112776","10.2661","0.0018","20.534","0.004","25.037","0.004","90","","90","","90","","5277.9","1.6","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H48 F6 N6 O10 Rh2 S2 -","- C46 H48 F6 N6 O10 Rh2 S2 -","- C184 H192 F24 N24 O40 Rh8 S8 -","4","1","","Yan Lou; Manabu Horikawa; Robin A. Kloster; Natalie A. Hawryluk; E. J. Corey","A New Chiral Rh(II) Catalyst for Enantioselective [2 + 1]-Cycloaddition. Mechanistic Implications and Applications","Journal of the American Chemical Society","2004","126","","8916","8918","10.1021/ja047064k","","","0.71073","MoKα","","0.084","0.078","","","0.1246","0.1262","","","","","","1.411","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112777","13.533","0.005","13.533","0.005","51.977","0.005","90","0.005","90","0.005","120","0.005","8244","4","100","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C18 H9.5 Br6 F9 N Sb1.5 -","- C18 H10 Br6 F9 N Sb1.5 -","- C216 H120 Br72 F108 N12 Sb18 -","12","0.333333","","Yasujiro Murata; Fuyong Cheng; Toshikazu Kitagawa; Koichi Komatsu","Generation of Fullerenyl Cation (EtO)2P+(OH)CH2-C60+ from RC60-H and from RC60-C60R (R = CH2P(O)(OEt)2)","Journal of the American Chemical Society","2004","126","","8874","8875","10.1021/ja047483h","","","0.71069","MoKα","","0.1146","0.0675","","","0.169","0.1859","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112778","8.569","0.0014","11.644","0.002","27.952","0.005","90","","90","","90","","2789","0.8","298","","","","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","","","- C12 H20 O2 S3 -","- C12 H20 O2 S3 -","- C96 H160 O16 S24 -","8","1","","Juzo Nakayama; Satoshi Aoki; Jun Takayama; Akira Sakamoto; Yoshiaki Sugihara; Akihiko Ishii","Reversible Disulfur Monoxide (S2O)-Forming Retro-Diels-Alder Reaction. Disproportionation of S2O to Trithio-Ozone (S3) and Sulfur Dioxide (SO2) and Reactivities of S2O and S3","Journal of the American Chemical Society","2004","126","","9085","9093","10.1021/ja047729i","","","0.71073","MoKα","","0.1302","0.0742","","","0.1764","0.1951","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112779","8.002","0.0012","9.086","0.0013","11.798","0.003","69.516","0.006","83.248","0.006","67.72","0.02","743.4","0.3","298","","","","","","","","","","Local laboratory","4","P -1","-P 1","2","","","","- C12 H20 O S4 -","- C12 H20 O S4 -","- C24 H40 O2 S8 -","2","1","","Juzo Nakayama; Satoshi Aoki; Jun Takayama; Akira Sakamoto; Yoshiaki Sugihara; Akihiko Ishii","Reversible Disulfur Monoxide (S2O)-Forming Retro-Diels-Alder Reaction. Disproportionation of S2O to Trithio-Ozone (S3) and Sulfur Dioxide (SO2) and Reactivities of S2O and S3","Journal of the American Chemical Society","2004","126","","9085","9093","10.1021/ja047729i","","","0.71073","MoKα","","0.1379","0.073","","","0.1726","0.1979","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112780","15.0248","0.0009","19.0019","0.0012","13.4159","0.0008","90","","100.556","0.001","90","","3765.4","0.4","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(Tp)Fe(CN)3Cu(MeOH)(CN)3Fe(Tp),2(MeOH)","","- C27 H32 B2 Cu Fe2 N18 O3 -","- C27 H32 B2 Cu Fe2 N18 O3 -","- C108 H128 B8 Cu4 Fe8 N72 O12 -","4","1","","Shi Wang; Jing-Lin Zuo; Song Gao; You Song; Hong-Cai Zhou; Yuan-Zhu Zhang; Xiao-Zeng You","The Observation of Superparamagnetic Behavior in Molecular Nanowires","Journal of the American Chemical Society","2004","126","","8900","8901","10.1021/ja0483995","","","0.71073","MoKα","","0.0597","0.0362","","","0.0796","0.0825","","","","","","1.027","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112781","5.758","0.006","19.684","0.019","8.544","0.008","90","","92.51","0.02","90","","967.5","1.6","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H30 N O6 P -","- C19 H30 N O6 P -","- C38 H60 N2 O12 P2 -","2","1","","Yingchun Li; Sarah D. Aubert; Eugene G. Maes; Frank M. Raushel","Enzymatic Resolution of Chiral Phosphinate Esters","Journal of the American Chemical Society","2004","126","","8888","8889","10.1021/ja048457m","","","1.54178","CuKα","","0.1129","0.0641","","","0.1263","0.1475","","","","","","1.078","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112782","9.415","0.003","9.858","0.003","14.708","0.004","79.67","0.03","83.31","0.03","77.89","0.03","1308.7","0.7","173","2","173","2","","","","","","","Grotjahn Lab","5","P -1","-P 1","2","Ir-2-butyne complex","","","- C22 H48 Cl Ir P2 -","- C22 H48 Cl Ir P2 -","- C44 H96 Cl2 Ir2 P4 -","2","1","","Douglas B. Grotjahn; Justin M. Hoerter; John L. Hubbard","Double C-H Activation during Functionalization of Phenyl(methyl)ketene on Iridium(I) Using Alkynes. Synthesis of 1,4-Dien-3-ones","Journal of the American Chemical Society","2004","126","","8866","8867","10.1021/ja048489+","","","0.71073","MoKα","","0.0398","0.0371","","0.096","0.0936","","","","1.079","1.087","1.087","","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112783","10.028","0.001","15.732","0.002","21.362","0.002","90","","98.54","0.01","90","","3332.7","0.6","173","2","173","2","","","","","","","Grotjahn Lab","6","P 1 21/n 1","-P 2yn","14","Ir-metallacycle complex","","","- C31 H56 Cl Ir O P2 -","- C31 H48 Cl Ir O P2 -","- C124 H192 Cl4 Ir4 O4 P8 -","4","1","","Douglas B. Grotjahn; Justin M. Hoerter; John L. Hubbard","Double C-H Activation during Functionalization of Phenyl(methyl)ketene on Iridium(I) Using Alkynes. Synthesis of 1,4-Dien-3-ones","Journal of the American Chemical Society","2004","126","","8866","8867","10.1021/ja048489+","","","0.71073","MoKα","","0.0736","0.0417","","0.219","","0.0975","","","1.076","","","1.049","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112784","9.3478","0.0002","15.9535","0.0003","24.4659","0.0004","90","","92.41","0.001","90","","3645.38","0.12","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- Cl H64 K5 Mo12 O57 P2 S12 -","- Cl K5 Mo12 O54 P2 S12 -","- Cl2 K10 Mo24 O108 P4 S24 -","2","0.5","","Emmanuel Cadot; Marie-José Pouet; Chantal Robert-Labarre; Charlotte du Peloux; Jérôme Marrot; Francis Sécheresse","Polyphosphate Ions Encapsulated in Oxothiomolybdate Rings: Synthesis, Structure, and Behavior in Solution","Journal of the American Chemical Society","2004","126","","9127","9134","10.1021/ja048746a","","","0.71073","MoKα","","0.0958","0.0503","","","0.1082","0.127","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112785","11.1863","0.0002","26.3305","0.0003","29.6214","0.0002","90","","90","","90","","8724.71","0.19","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- H63 K6 Mo12 O60 P3 S12 -","- K6 Mo12 O60 P3 S12 -","- K24 Mo48 O240 P12 S48 -","4","0.5","","Emmanuel Cadot; Marie-José Pouet; Chantal Robert-Labarre; Charlotte du Peloux; Jérôme Marrot; Francis Sécheresse","Polyphosphate Ions Encapsulated in Oxothiomolybdate Rings: Synthesis, Structure, and Behavior in Solution","Journal of the American Chemical Society","2004","126","","9127","9134","10.1021/ja048746a","","","0.71073","MoKα","","0.0562","0.0465","","","0.1269","0.1355","","","","","","1.078","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112786","23.2344","0.0002","23.2344","0.0002","20.7222","0.0003","90","","90","","120","","9687.89","0.18","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- H47 Mo10 O47.5 P3 Rb3 S10 -","- Mo10 O45.38 P3 Rb3.00333 S10 -","- Mo60 O272.28 P18 Rb18.02 S60 -","6","0.5","","Emmanuel Cadot; Marie-José Pouet; Chantal Robert-Labarre; Charlotte du Peloux; Jérôme Marrot; Francis Sécheresse","Polyphosphate Ions Encapsulated in Oxothiomolybdate Rings: Synthesis, Structure, and Behavior in Solution","Journal of the American Chemical Society","2004","126","","9127","9134","10.1021/ja048746a","","","0.71073","MoKα","","0.058","0.039","","","0.1092","0.1263","","","","","","1.155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112787","11.371","0.001","19.975","0.002","19.02","0.002","90","","94.196","0.002","90","","4308.5","0.7","100","1","100","1","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H69 N2 O Sc Si2 -","- C43 H69 N2 O Sc Si2 -","- C172 H276 N8 O4 Sc4 Si8 -","4","1","","Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen","One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals","Journal of the American Chemical Society","2004","126","","9182","9183","10.1021/ja0475297","","","0.71073","MoKα","","0.0953","0.0501","","","0.1042","0.1211","","","","","","1.025","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112788","10.8089","0.0004","11.8553","0.0005","21.0218","0.0008","80.687","0.001","86.364","0.001","69.376","0.001","2487.86","0.17","110","","110","2","","","","","","","see text","6","P -1","-P 1","2","","","","- C47 H77 N2 Nd O2 Si2 -","- C47 H77 N2 Nd O2 Si2 -","- C94 H154 N4 Nd2 O4 Si4 -","2","1","","Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen","One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals","Journal of the American Chemical Society","2004","126","","9182","9183","10.1021/ja0475297","","","0.71073","MoKα","","0.0253","0.0232","","","0.0562","0.0571","","","","","","1.056","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112789","12.8558","0.0005","13.208","0.0006","21.6302","0.0009","93.949","0.001","97.099","0.001","112.746","0.001","3333.8","0.2","100","1","100","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C74 H100 B N2 O3 Sc Si -","- C74 H100 B N2 O3 Sc Si -","- C148 H200 B2 N4 O6 Sc2 Si2 -","2","1","","Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen","One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals","Journal of the American Chemical Society","2004","126","","9182","9183","10.1021/ja0475297","","","0.71073","MoKα","","0.0605","0.0522","","","0.1428","0.1483","","","","","","1.055","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112790","13.3902","0.0006","22.711","0.001","25.732","0.001","75.174","0.001","85.179","0.001","74.6","0.001","7292","0.5","100","1","100","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C159 H218 B2 N4 O6.5 Si2 Y2 -","- C154 H208 B2 N4 O6 Si2 Y2 -","- C308 H416 B4 N8 O12 Si4 Y4 -","2","1","","Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen","One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals","Journal of the American Chemical Society","2004","126","","9182","9183","10.1021/ja0475297","","","0.71073","MoKα","","0.1791","0.0807","","","0.1702","0.199","","","","","","0.902","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112791","51.22","0.003","14.0298","0.0009","24.128","0.002","90","","117.101","0.001","90","","15434.8","1.9","100","1","100","1","","","","","","","see text","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H120 B La N2 O5.5 Si -","- C84 H120 B La N2 O5.5 Si -","- C672 H960 B8 La8 N16 O44 Si8 -","8","1","","Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen","One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals","Journal of the American Chemical Society","2004","126","","9182","9183","10.1021/ja0475297","","","0.71073","MoKα","","0.1068","0.0491","","","0.1","0.1178","","","","","","0.985","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112792","51.138","0.002","14.0381","0.0006","24.194","0.001","90","","117.373","0.001","90","","15423.7","1.1","100","1","100","1","","","","","","","see text","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H120 B N2 Nd O Si -","- C84 H120 B N2 Nd O5.5 Si -","- C672 H960 B8 N16 Nd8 O44 Si8 -","8","1","","Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen","One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals","Journal of the American Chemical Society","2004","126","","9182","9183","10.1021/ja0475297","","","0.71073","MoKα","","0.0576","0.0414","","","0.1002","0.1075","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112793","21.267","0.002","11.7644","0.0009","27.388","0.002","90","","92.317","0.001","90","","6846.7","1","100","1","100","1","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H102 B Gd N2 O4 Si -","- C75 H102 B Gd N2 O4 Si -","- C300 H408 B4 Gd4 N8 O16 Si4 -","4","1","","Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen","One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals","Journal of the American Chemical Society","2004","126","","9182","9183","10.1021/ja0475297","","","0.71073","MoKα","","0.1317","0.0556","","","0.11","0.1346","","","","","","0.982","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112794","13.044","0.002","15.333","0.002","20.86","0.003","79.487","0.004","83.767","0.003","74.999","0.003","3954","1","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H59 Cl6 F6 Mn4 N12 O24 S2 -","- C57 H59 Cl6 F6 Mn4 N12 O24 S2 -","- C114 H118 Cl12 F12 Mn8 N24 O48 S4 -","2","1","","Sumitra Mukhopadhyay; Henry J. Mok; Richard J. Staples; William H. Armstrong","Shape-Shifting Tetranuclear Oxo-Bridged Manganese Cluster: Relevance to Photosystem II Water Oxidase Active Site","Journal of the American Chemical Society","2004","126","","9202","9204","10.1021/ja0475508","","","0.71073","MoKα","","0.1895","0.0993","","","0.2243","0.2685","","","","","","0.996","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112795","12.4977","0.0007","12.4868","0.0005","19.579","0.001","90","","102.338","0.001","90","","2984.9","0.3","150.2","","","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H20 B Br2 F12 Fe2 -","- C30 H20 B0.5 Br2 F12 Fe2 -","- C120 H80 B2 Br8 F48 Fe8 -","4","1","","Masato Takano; Masaaki Okazaki; Hiromi Tobita","Stepwise Bromination of Two Acetylene Molecules on a Butterfly-Type Tetrairon Core and Reactivity of the Resulting Bromoacetylene Fragment toward Nucleophiles","Journal of the American Chemical Society","2004","126","","9190","9191","10.1021/ja047569a","","","0.7107","MoKα","","","0.0581","","","","0.1663","","","","","","1.609","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112796","10.1333","0.0003","13.052","0.0003","16.0867","0.0006","97.6408","0.0008","95.5324","0.0008","94.054","0.001","2091.38","0.11","150.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H54 B Fe4 -","- C53 H54 B Fe4 -","- C106 H108 B2 Fe8 -","2","1","","Masato Takano; Masaaki Okazaki; Hiromi Tobita","Stepwise Bromination of Two Acetylene Molecules on a Butterfly-Type Tetrairon Core and Reactivity of the Resulting Bromoacetylene Fragment toward Nucleophiles","Journal of the American Chemical Society","2004","126","","9190","9191","10.1021/ja047569a","","","0.7107","MoKα","","","0.0751","","","","0.2978","","","","","","1.147","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112797","12.1054","0.0006","14.1386","0.0007","21.071","0.0011","90","","92.868","0.003","90","","3601.9","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","cluster[7](PF6)2","","","- C34 H37.5 F12 Fe4 N1.5 P2 -","- C34 H34.5 F12 Fe4 N1.5 P2 -","- C136 H138 F48 Fe16 N6 P8 -","4","2","","Masato Takano; Masaaki Okazaki; Hiromi Tobita","Stepwise Bromination of Two Acetylene Molecules on a Butterfly-Type Tetrairon Core and Reactivity of the Resulting Bromoacetylene Fragment toward Nucleophiles","Journal of the American Chemical Society","2004","126","","9190","9191","10.1021/ja047569a","","","0.71069","MoKα","","0.0763","0.0634","","","0.1605","0.173","","","","","","1.135","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112798","10.9644","0.0011","11.2922","0.0011","17.6367","0.0018","96.933","0.005","101.342","0.005","113.218","0.005","1919.4","0.3","190","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H76 Cl4 N12 O24 Zn4 -","- C70 H76 Cl4 N12 O24 Zn4 -","- C70 H76 Cl4 N12 O24 Zn4 -","1","0.5","","Giannis S. Papaefstathiou; Zhenming Zhong; Lei Geng; Leonard R. MacGillivray","Coordination-Driven Self-Assembly Directs a Single-Crystal-to-Single-Crystal Transformation that Exhibits Photocontrolled Fluorescence","Journal of the American Chemical Society","2004","126","","9158","9159","10.1021/ja047819n","","","0.71069","MoKα","","","0.0443","","","","0.1149","","","","","","1.021","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112799","10.7509","0.0011","10.9233","0.0011","18.558","0.002","97.531","0.005","101.758","0.005","110.933","0.005","1942.7","0.4","293","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H76 Cl4 N12 O24 Zn4 -","- C70 H76 Cl4 N12 O24 Zn4 -","- C70 H76 Cl4 N12 O24 Zn4 -","1","0.5","","Giannis S. Papaefstathiou; Zhenming Zhong; Lei Geng; Leonard R. MacGillivray","Coordination-Driven Self-Assembly Directs a Single-Crystal-to-Single-Crystal Transformation that Exhibits Photocontrolled Fluorescence","Journal of the American Chemical Society","2004","126","","9158","9159","10.1021/ja047819n","","","0.71069","MoKα","","","0.0459","","","","0.1592","","","","","","1.041","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112800","16.419","0.0007","8.6648","0.0003","16.2655","0.0007","90","","100.458","0.004","90","","2275.61","0.16","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 Co O4 -","- C24 H35 Co O4 -","- C96 H140 Co4 O16 -","4","1","","Trevor L. Dzwiniel; Jeffrey M. Stryker","Cobalt-Mediated Two-Carbon Ring Expansion of Five-Membered Rings. Electrophilic Carbon-Carbon Bond Activation in the Synthesis of Seven-Membered Rings","Journal of the American Chemical Society","2004","126","","9184","9185","10.1021/ja047852+","","","1.54178","CuKα","","0.0596","0.0467","","","0.1089","0.1152","","","","","","1.042","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112801","10.0706","0.0015","11.0942","0.0019","13.396","0.002","92.638","0.013","96.004","0.012","95.3","0.013","1479.8","0.4","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H39 B Cl3 Co F4 Si2 -","- C23 H39 B Cl3 Co F4 Si2 -","- C46 H78 B2 Cl6 Co2 F8 Si4 -","2","1","","Trevor L. Dzwiniel; Jeffrey M. Stryker","Cobalt-Mediated Two-Carbon Ring Expansion of Five-Membered Rings. Electrophilic Carbon-Carbon Bond Activation in the Synthesis of Seven-Membered Rings","Journal of the American Chemical Society","2004","126","","9184","9185","10.1021/ja047852+","","","0.71073","MoKα","","0.1392","0.0695","","","0.1071","0.1296","","","","","","1.016","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112802","5.2013","0.0005","16.6336","0.0015","20.8923","0.0018","90","","90","","90","","1807.5","0.3","160","2","160","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","1","","Andrew P. Bassett; Steven W. Magennis; Peter B. Glover; David J. Lewis; Neil Spencer; Simon Parsons; René M. Williams; Luisa De Cola; Zoe Pikramenou","Highly Luminescent, Triple- and Quadruple-Stranded, Dinuclear Eu, Nd, and Sm(III) Lanthanide Complexes Based on Bis-Diketonate Ligands","Journal of the American Chemical Society","2004","126","","9413","9424","10.1021/ja048022z","","","0.6875","","","0.1018","0.0793","","","0.2061","0.2499","","","","","","1.102","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112803","11.042","0.002","11.956","0.002","13.723","0.003","92.36","0.03","105.63","0.03","101.76","0.03","1699.2","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H35 Eu F6 N8 O13 S2 -","- C23 H33 Eu F6 N8 O13 S2 -","- C46 H66 Eu2 F12 N16 O26 S4 -","2","1","","Mark Woods; Garry E. Kiefer; Simon Bott; Aminta Castillo-Muzquiz; Carrie Eshelbrenner; Lydie Michaudet; Kenneth McMillan; Siva D. K. Mudigunda; Doug Ogrin; Gyula Tircsó; Shanrong Zhang; Piyu Zhao; A. Dean Sherry","Synthesis, Relaxometric and Photophysical Properties of a New pH-Responsive MRI Contrast Agent: The Effect of Other Ligating Groups on Dissociation of a p-Nitrophenolic Pendant Arm","Journal of the American Chemical Society","2004","126","","9248","9256","10.1021/ja048299z","","","0.71073","MoKα","","0.0828","0.0822","","0.2168","0.2141","","","","1.014","1.027","1.027","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112804","10.557","0.002","13.439","0.002","9.79","0.001","98.883","0.01","100.65","0.01","99.14","0.01","1323.3","0.4","296.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","2","","Kana M. Sureshan; Tomohiro Murakami; Tomomi Miyasou; Yutaka Watanabe","Topochemical Transketalization Reaction Driven by Hydrogen Bonding","Journal of the American Chemical Society","2004","126","","9174","9175","10.1021/ja0483847","","","1.5418","CuKa","","","0.0427","","","","0.127","","","","","","1.627","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112805","38.6193","0.001","15.8553","0.0004","11.3176","0.0004","90","","90","","90","","6930","0.4","153","2","153","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C309 H354 Ir4 N12 O27 -","- C309 H354 Ir4 N12 O27 -","- C309 H354 Ir4 N12 O27 -","1","0.25","","Christine Schaffner-Hamann; Alexander von Zelewsky; Andrea Barbieri; Francesco Barigelletti; Gilles Muller; James P. Riehl; Antonia Neels","Diastereoselective Formation of Chiral Tris-Cyclometalated Iridium (III) Complexes: Characterization and Photophysical Properties","Journal of the American Chemical Society","2004","126","","9339","9348","10.1021/ja048655d","","","0.71073","MoKα","","0.0482","0.0449","","","0.1202","0.1229","","","","","","1.042","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112806","12.3304","0.0017","12.3304","0.0017","9.9206","0.0016","90","","90","","120","","1306.2","0.3","123","2","123","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","clathrate hydrate of adamantane and methane","","- C14.5 H102 O34 -","- C15.916 H100.424 O34 -","- C15.916 H100.424 O34 -","1","0.0416667","","Michael T. Kirchner; Roland Boese; W. Edward Billups; Lewis R. Norman","Gas Hydrate Single-Crystal Structure Analyses","Journal of the American Chemical Society","2004","126","","9407","9412","10.1021/ja049247c","","","0.71073","MoKα","","0.0641","0.0438","","","0.0949","0.1121","","","","","","1.11","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112807","17.175","0.003","17.175","0.003","17.175","0.003","90","","90","","90","","5066.3","1.5","123","2","123","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","Propane hydrate","clathrate hydrate of propane","","- C24 H336 O136 -","- C25.6 H320 O136 -","- C25.6 H320 O136 -","1","0.00520833","","Michael T. Kirchner; Roland Boese; W. Edward Billups; Lewis R. Norman","Gas Hydrate Single-Crystal Structure Analyses","Journal of the American Chemical Society","2004","126","","9407","9412","10.1021/ja049247c","","","0.71073","MoKα","","0.0575","0.0465","","","0.0935","0.0985","","","","","","1.159","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112808","17.1925","0.001","17.1925","0.001","17.1925","0.001","90","","90","","90","","5081.8","0.5","163","2","163","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","clathrate hydrate of propane, methane and ethanole","","- C38.9 H395.6 O136 -","- C55.6 H336 O136 -","- C55.6 H336 O136 -","1","0.00520833","","Michael T. Kirchner; Roland Boese; W. Edward Billups; Lewis R. Norman","Gas Hydrate Single-Crystal Structure Analyses","Journal of the American Chemical Society","2004","126","","9407","9412","10.1021/ja049247c","","","0.71073","MoKα","","0.0394","0.0362","","","0.0889","0.0931","","","","","","1.074","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112809","11.877","0.003","11.877","0.003","11.877","0.003","90","","90","","90","","1675.4","0.7","123","2","123","2","","","","","","","Synthetic","3","P m -3 n","-P 4n 2 3","223","Methane hydrate","clathrate hydrate of methane","Methane-hydrate","- C8 H124 O46 -","- C8 H123.92 O46 -","- C8 H123.92 O46 -","1","0.0208333","","Michael T. Kirchner; Roland Boese; W. Edward Billups; Lewis R. Norman","Gas Hydrate Single-Crystal Structure Analyses","Journal of the American Chemical Society","2004","126","","9407","9412","10.1021/ja049247c","","","0.71073","MoKα","","0.0682","0.0379","","","0.0759","0.0887","","","","","","1.094","","","","has coordinates,has disorder","282068","2023-03-26","10:12:40",""
"4112810","11.895","0.003","11.895","0.003","11.895","0.003","90","","90","","90","","1683","0.7","143","2","143","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","Ethine hydrate","clathrate hydrate of ethine","","- C14.2 H60.2 O46 -","- C16.056 H92 O46 -","- C16.056 H92 O46 -","1","0.0208333","","Michael T. Kirchner; Roland Boese; W. Edward Billups; Lewis R. Norman","Gas Hydrate Single-Crystal Structure Analyses","Journal of the American Chemical Society","2004","126","","9407","9412","10.1021/ja049247c","","","0.71073","MoKα","","0.0984","0.0388","","","0.0886","0.1418","","","","","","1.269","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112811","35.02","0.002","16.6352","0.0006","19.7332","0.0012","90","","119.852","0.004","90","","9970.5","1","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H60 Cl10 Cu4 N8 O -","- C32 H60 Cl10 Cu4 N8 O -","- C256 H480 Cl80 Cu32 N64 O8 -","8","1","","Hongjian Sun; Klaus Harms; Joerg Sundermeyer","Aerobic Oxidation of 2,3,6-Trimethylphenol to Trimethyl-1,4-benzoquinone with Copper(II) Chloride as Catalyst in Ionic Liquid and Structure of the Active Species","Journal of the American Chemical Society","2004","126","","9550","9551","10.1021/ja0391964","","","0.71073","MoKα","","0.0862","0.0695","","","0.1317","0.1359","","","","","","1.245","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112812","21.702","0.001","11.47","0.001","18.301","0.0009","90","","94.783","0.005","90","","4539.7","0.5","150","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tetrakis[di-tert-butyl(methyl)silyl] disilene","","- C36 H84 Si6 -","- C36 H84 Si6 -","- C144 H336 Si24 -","4","1","","Akira Sekiguchi; Shigeyoshi Inoue; Masaaki Ichinohe; Yoriko Arai","Isolable Anion Radical of Blue Disilene (tBu2MeSi)2SiSi(SiMetBu2)2 Formed upon One-Electron Reduction: Synthesis and Characterization","Journal of the American Chemical Society","2004","126","","9626","9629","10.1021/ja040079y","","","0.7107","MoKα","","0.1673","0.0877","","","0.2077","0.256","","","","","","1.02","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112813","12.072","0.0003","21.567","0.001","24.25","0.0011","90","","90","","90","","6313.7","0.4","200","0.1","200","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tetrakis(tetrahydrofuran)lithium(I) 1,1,4,4-tetra-tert-butyl -2,3-Tetrakis[di-tert-butyl(methyl)silyl]-1,4-dimethyltetrasilane-2-yl-3-ide","","- C52 H116 Li O4 Si6 -","- C52 H116 Li O4 Si6 -","- C208 H464 Li4 O16 Si24 -","4","1","","Akira Sekiguchi; Shigeyoshi Inoue; Masaaki Ichinohe; Yoriko Arai","Isolable Anion Radical of Blue Disilene (tBu2MeSi)2SiSi(SiMetBu2)2 Formed upon One-Electron Reduction: Synthesis and Characterization","Journal of the American Chemical Society","2004","126","","9626","9629","10.1021/ja040079y","","","0.7107","MoKα","","0.0671","0.0526","","","0.1388","0.1514","","","","","","1.027","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112814","10.5289","0.0006","9.9479","0.0006","22.5331","0.0014","90","","94.838","0.001","90","","2351.7","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 F10 N2 O2 W2 -","- C46 H56 F10 N2 O2 W2 -","- C92 H112 F20 N4 O4 W4 -","2","0.5","","Lourdes Pia H. Lopez; Richard R. Schrock","Formation of Dimers That Contain Unbridged W(IV)/W(IV) Double Bonds","Journal of the American Chemical Society","2004","126","","9526","9527","10.1021/ja0400988","","","0.71073","MoKα","","0.0335","0.0295","","","0.0762","0.0779","","","","","","1.039","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112815","15.499","0.003","19.415","0.004","33.223","0.007","85.07","0.03","83.43","0.03","73.24","0.03","9495","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C119 H44 O9 P4 Rh6 -","- C119 H44 O9 P4 Rh6 -","- C476 H176 O36 P16 Rh24 -","4","2","","Kwangyeol Lee; Yoon Jeong Choi; Youn-Jaung Cho; Chang Yeon Lee; Hyunjoon Song; Chang Hoon Lee; Yoon Sup Lee; Joon T. Park","Strong Interfullerene Electronic Communication in a Bisfullerene-Hexarhodium Sandwich Complex","Journal of the American Chemical Society","2004","126","","9837","9844","10.1021/ja047290u","","","0.71073","MoKα","","0.2764","0.1036","","","0.2154","0.2965","","","","","","0.941","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112816","14.6778","0.0003","20.0354","0.0004","20.3356","0.0004","95.625","0.001","96.939","0.001","111.31","0.001","5465","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C133 H58 N2 O7 P4 Rh6 -","- C133 H58 N2 O7 P4 Rh6 -","- C266 H116 N4 O14 P8 Rh12 -","2","1","","Kwangyeol Lee; Yoon Jeong Choi; Youn-Jaung Cho; Chang Yeon Lee; Hyunjoon Song; Chang Hoon Lee; Yoon Sup Lee; Joon T. Park","Strong Interfullerene Electronic Communication in a Bisfullerene-Hexarhodium Sandwich Complex","Journal of the American Chemical Society","2004","126","","9837","9844","10.1021/ja047290u","","","0.71073","MoKα","","0.1643","0.1022","","","0.2858","0.3354","","","","","","1.045","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112817","17.59","0.03","23.98","0.05","31.9","0.06","90","","96.75","0.04","90","","13362","4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C191 H55 Cl2 N O7 P4 Rh6 S4 -","- C191 H55 Cl2 N O7 P4 Rh6 S4 -","- C764 H220 Cl8 N4 O28 P16 Rh24 S16 -","4","1","","Kwangyeol Lee; Yoon Jeong Choi; Youn-Jaung Cho; Chang Yeon Lee; Hyunjoon Song; Chang Hoon Lee; Yoon Sup Lee; Joon T. Park","Strong Interfullerene Electronic Communication in a Bisfullerene-Hexarhodium Sandwich Complex","Journal of the American Chemical Society","2004","126","","9837","9844","10.1021/ja047290u","","","0.71073","MoKα","","0.1741","0.0957","","","0.2768","0.3187","","","","","","0.989","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112818","14.6527","0.0007","41.0065","0.0019","7.483","0.0003","90","","90.008","0.001","90","","4496.2","0.3","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 O Si -","- C25 H34 O Si -","- C200 H272 O8 Si8 -","8","2","","Timothy B. Clark; K. A. Woerpel","Formation and Utility of Oxasilacyclopentenes Derived from Functionalized Alkynes","Journal of the American Chemical Society","2004","126","","9522","9523","10.1021/ja047498f","","","0.71073","MoKα","","0.1304","0.0713","","","0.1695","0.2072","","","","","","1.029","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112819","9.034","0.002","14.237","0.004","16.346","0.004","73.068","0.004","89.726","0.005","73.451","0.004","1920.9","0.8","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H59 N O4 Si2 -","- C40 H59 N O4 Si2 -","- C80 H118 N2 O8 Si4 -","2","1","","Timothy B. Clark; K. A. Woerpel","Formation and Utility of Oxasilacyclopentenes Derived from Functionalized Alkynes","Journal of the American Chemical Society","2004","126","","9522","9523","10.1021/ja047498f","","","0.71073","MoKα","","0.0749","0.0487","","","0.1175","0.1324","","","","","","1.039","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4112820","12.3496","0.0006","26.2644","0.0015","16.0109","0.0007","90","","104.051","0.004","90","","5037.8","0.4","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C59 H78 Al N3 -","- C59 H78 Al N3 -","- C236 H312 Al4 N12 -","4","1","","Hongping Zhu; Jianfang Chai; Vadapalli Chandrasekhar; Herbert W. Roesky; Jörg Magull; Denis Vidovic; Hans-Georg Schmidt; Mathias Noltemeyer; Philip P. Power; William A. Merrill","Two Types of Intramolecular Addition of an Al-N Multiple-Bonded Monomer LAlNAr' Arising from the Reaction of LAl with N3Ar' (L = HC[(CMe)(NAr)]2, Ar' = 2,6-Ar2C6H3, Ar = 2,6-iPr2C6H3)","Journal of the American Chemical Society","2004","126","","9472","9473","10.1021/ja0475712","","","0.71073","MoKα","","0.1059","0.0633","","","0.136","0.1551","","","","","","1.011","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112821","11.806","0.008","12.766","0.005","19.718","0.008","76.04","0.03","74.54","0.04","64.63","0.04","2560","2","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H78 Al N3 -","- C59 H78 Al N3 -","- C118 H156 Al2 N6 -","2","1","","Hongping Zhu; Jianfang Chai; Vadapalli Chandrasekhar; Herbert W. Roesky; Jörg Magull; Denis Vidovic; Hans-Georg Schmidt; Mathias Noltemeyer; Philip P. Power; William A. Merrill","Two Types of Intramolecular Addition of an Al-N Multiple-Bonded Monomer LAlNAr' Arising from the Reaction of LAl with N3Ar' (L = HC[(CMe)(NAr)]2, Ar' = 2,6-Ar2C6H3, Ar = 2,6-iPr2C6H3)","Journal of the American Chemical Society","2004","126","","9472","9473","10.1021/ja0475712","","","0.71073","MoKα","","0.0751","0.0595","","","0.1415","0.1496","","","","","","1.039","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112822","6.1543","0.0007","10.914","0.001","14.747","0.002","90","","100.599","0.002","90","","973.63","0.19","143.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H35 O5 -","- C21 H30 O5 -","- C42 H60 O10 -","2","1","","Guangxin Liang; Dirk Trauner","Enantioselective Nazarov Reactions through Catalytic Asymmetric Proton Transfer","Journal of the American Chemical Society","2004","126","","9544","9545","10.1021/ja0476664","","","0.7107","MoKα","","","0.0496","","","","0.0602","","","","","","2.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112823","4.709","0.002","7.55","0.003","18.96","0.01","90","","95.98","0.03","90","","670.4","0.5","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 N5 O6 -","- C11 H15 N5 O6 -","- C22 H30 N10 O12 -","2","1","","Caroline Crey-Desbiolles; Jean Lhomme; Pascal Dumy; Mitsuharu Kotera","3-Nitro-3-deaza-2'-deoxyadenosine as a Versatile Photocleavable 2'-Deoxyadenosine Mimic","Journal of the American Chemical Society","2004","126","","9532","9533","10.1021/ja047976m","","","0.71073","MoKα","","0.0677","0.0677","","0.0338","","0.0338","","","1.965","","","1.965","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112824","8.786","0.0003","12.028","0.0004","11.204","0.0004","90","","92.372","0.002","90","","1183","0.07","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 O S2 -","- C10 H18 O S2 -","- C40 H72 O4 S8 -","4","1","","Kentaro Okuma; Toshiyuki Shigetomi; Yoshinori Nibu; Kosei Shioji; Masato Yoshida; Yoshinobu Yokomori","Synthesis of Isolable Thiirane-2-thione (α-Dithiolactone) from Thioketene S-Oxide","Journal of the American Chemical Society","2004","126","","9508","9509","10.1021/ja0480320","","","1.54184","CuKα","","0.0683","0.0642","","","0.1981","0.2069","","","","","","1.068","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4112825","14.6338","0.0009","12.7462","0.0008","31.6081","0.0019","90","","98.775","0.001","90","","5826.7","0.6","193","2","193","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C53 H50 Ag Au3 B2 Cl2 F8 N3 O3 P3 -","- C53 H42 Ag Au3 B2 Cl2 F8 N3 O3 P3 -","- C212 H168 Ag4 Au12 B8 Cl8 F32 N12 O12 P12 -","4","1","","Quan-Ming Wang; Young-A. Lee; Olga Crespo; Joseph Deaton; Ching Tang; Henry J. Gysling; M. Concepción Gimeno; Carmen Larraz; M. Dolores Villacampa; Antonio Laguna; Richard Eisenberg","Intensely Luminescent Gold(I)-Silver(I) Cluster Complexes with Tunable Structural Features","Journal of the American Chemical Society","2004","126","","9488","9489","10.1021/ja048091d","","","0.71073","MoKα","","0.0501","0.035","","","0.0853","0.0896","","","","","","1.058","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112826","13.5222","0.0006","22.7307","0.0011","18.1594","0.0009","90","","105.379","0.001","90","","5381.8","0.4","193","2","293","2","","","","","","","","10","P 1 2/c 1","-P 2yc","13","","","","- C51 H44 Ag Au3 B2 F8 N3 O P3 S -","- C51 H42 Ag Au3 B2 F8 N3 O2 P3 S -","- C204 H168 Ag4 Au12 B8 F32 N12 O8 P12 S4 -","4","1","","Quan-Ming Wang; Young-A. Lee; Olga Crespo; Joseph Deaton; Ching Tang; Henry J. Gysling; M. Concepción Gimeno; Carmen Larraz; M. Dolores Villacampa; Antonio Laguna; Richard Eisenberg","Intensely Luminescent Gold(I)-Silver(I) Cluster Complexes with Tunable Structural Features","Journal of the American Chemical Society","2004","126","","9488","9489","10.1021/ja048091d","","","0.71073","MoKα","","0.0494","0.0356","","","0.0897","0.0946","","","","","","1.036","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112827","13.6315","0.0011","22.7608","0.0019","18.331","0.0015","90","","105.227","0.002","90","","5487.8","0.8","193","2","193","2","","","","","","","","10","P 1 2/c 1","-P 2yc","13","","","","- C52 H47 Ag Au3 B2 F8 N3 O1.5 P3 Se -","- C52 H42 Ag Au3 B2 F8 N3 O1.5 P3 Se -","- C208 H168 Ag4 Au12 B8 F32 N12 O6 P12 Se4 -","4","1","","Quan-Ming Wang; Young-A. Lee; Olga Crespo; Joseph Deaton; Ching Tang; Henry J. Gysling; M. Concepción Gimeno; Carmen Larraz; M. Dolores Villacampa; Antonio Laguna; Richard Eisenberg","Intensely Luminescent Gold(I)-Silver(I) Cluster Complexes with Tunable Structural Features","Journal of the American Chemical Society","2004","126","","9488","9489","10.1021/ja048091d","","","0.71073","MoKα","","0.0448","0.0336","","","0.0887","0.0932","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112828","14.0698","0.0008","14.7704","0.0008","16.5322","0.0009","104.879","0.001","97.911","0.001","115.288","0.001","2879.5","0.3","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C56 H51 Ag Au3 B2 F8 N4 P3 S -","- C56 H51 Ag Au3 B2 F8 N4 P3 S -","- C112 H102 Ag2 Au6 B4 F16 N8 P6 S2 -","2","1","","Quan-Ming Wang; Young-A. Lee; Olga Crespo; Joseph Deaton; Ching Tang; Henry J. Gysling; M. Concepción Gimeno; Carmen Larraz; M. Dolores Villacampa; Antonio Laguna; Richard Eisenberg","Intensely Luminescent Gold(I)-Silver(I) Cluster Complexes with Tunable Structural Features","Journal of the American Chemical Society","2004","126","","9488","9489","10.1021/ja048091d","","","0.71073","MoKα","","0.0335","0.0287","","","0.0696","0.0714","","","","","","1.011","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112829","8.4457","0.0017","8.5608","0.0017","10.075","0.002","90","","90","","90","","728.4","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 N2 O4 -","- C6 H10 N2 O4 -","- C24 H40 N8 O16 -","4","1","","Greg Springsteen; Gerald F. Joyce","Selective Derivatization and Sequestration of Ribose from a Prebiotic Mix","Journal of the American Chemical Society","2004","126","","9578","9583","10.1021/ja0483692","","","0.71073","MoKα","","0.0284","0.0281","","","0.0728","0.0731","","","","","","1.062","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112830","9.778","0.002","14.647","0.004","7.0557","0.0006","90","","90","","90","","1010.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(pyridine-3-carbonyl)thiazolidin-2-thione","","- C9 H8 N2 O S2 -","- C9 H8 N2 O S2 -","- C36 H32 N8 O4 S8 -","4","1","","Shinji Yamada; Tomoko Misono; Seiji Tsuzuki","Cation-π Interactions of a Thiocarbonyl Group and a Carbonyl Group with a Pyridinium Nucleus","Journal of the American Chemical Society","2004","126","","9862","9872","10.1021/ja0490119","","","1.54178","CuKα","","0.0493","0.0447","","0.1348","0.1306","","","","0.803","0.8","0.8","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112831","8.132","0.003","7.399","0.002","14.431","0.003","90","","101.49","0.02","90","","850.9","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","1-Benzyl-3-(2-thioxothiazolidine-3-carbonyl)pyridinium bromide","","- C16 H15 Br N2 O S2 -","- C16 H15 Br N2 O S2 -","- C32 H30 Br2 N4 O2 S4 -","2","1","","Shinji Yamada; Tomoko Misono; Seiji Tsuzuki","Cation-π Interactions of a Thiocarbonyl Group and a Carbonyl Group with a Pyridinium Nucleus","Journal of the American Chemical Society","2004","126","","9862","9872","10.1021/ja0490119","","","1.54178","CuKα","","0.0239","0.0235","","0.0888","0.084","","","","1.476","1.45","1.45","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112832","12.5019","0.0009","24.5155","0.0012","5.6418","0.0005","90","","89.993","0.007","90","","1729.2","0.2","293","2","293","2","","","","","","","122.5-123.2","4","P 1 21 1","P 2yb","4","","3-(Pyridine-3-carbonyl)oxazolidin-2-one","","- C9 H8 N2 O3 -","- C9 H8 N2 O3 -","- C72 H64 N16 O24 -","8","4","","Shinji Yamada; Tomoko Misono; Seiji Tsuzuki","Cation-π Interactions of a Thiocarbonyl Group and a Carbonyl Group with a Pyridinium Nucleus","Journal of the American Chemical Society","2004","126","","9862","9872","10.1021/ja0490119","","","1.54178","CuKα","","0.0413","0.0314","","0.1041","0.0893","","","","1.113","1.144","1.144","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112833","13.312","0.003","9.675","0.003","14.273","0.003","90","","94.679","0.015","90","","1832.1","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1-Benzyl-3-(2-oxo-oxazolidine-3-carbonyl)pyridinium bromide","","- C16 H15 Br N2 O3 -","- C16 H15 Br N2 O3 -","- C64 H60 Br4 N8 O12 -","4","1","","Shinji Yamada; Tomoko Misono; Seiji Tsuzuki","Cation-π Interactions of a Thiocarbonyl Group and a Carbonyl Group with a Pyridinium Nucleus","Journal of the American Chemical Society","2004","126","","9862","9872","10.1021/ja0490119","","","1.54178","CuKα","","0.0905","0.0787","","0.2483","0.2174","","","","1.366","1.365","1.365","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112834","12.156","0.002","18.891","0.003","17.584","0.003","90","","90","","90","","4038","1.2","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C17 H18 N5 Ni O7 -","- C17 H12 N5 Ni O7 -","- C136 H96 N40 Ni8 O56 -","8","0.5","","Ashleigh J. Fletcher; Edmund J. Cussen; Darren Bradshaw; Matthew J. Rosseinsky; K. Mark Thomas","Adsorption of Gases and Vapors on Nanoporous Ni2(4,4'-Bipyridine)3(NO3)4 Metal-Organic Framework Materials Templated with Methanol and Ethanol: Structural Effects in Adsorption Kinetics","Journal of the American Chemical Society","2004","126","","9750","9759","10.1021/ja0490267","","","1.5418","CuKα","","0.1728","0.0848","","0.2435","0.2028","","","","0.945","1.252","1.252","","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112835","11.883","0.001","19.049","0.001","17.415","0.001","90","","90","","90","","3942","0.5","375","2","375","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C15 H12 N5 Ni O6 -","- C15 H12 N5 Ni O6 -","- C120 H96 N40 Ni8 O48 -","8","0.5","","Ashleigh J. Fletcher; Edmund J. Cussen; Darren Bradshaw; Matthew J. Rosseinsky; K. Mark Thomas","Adsorption of Gases and Vapors on Nanoporous Ni2(4,4'-Bipyridine)3(NO3)4 Metal-Organic Framework Materials Templated with Methanol and Ethanol: Structural Effects in Adsorption Kinetics","Journal of the American Chemical Society","2004","126","","9750","9759","10.1021/ja0490267","","","0.71073","MoKα","","0.0819","0.0676","","0.221","0.2085","","","","1.105","1.211","1.211","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112836","11.2657","0.0018","20.517","0.004","34.413","0.007","90","","90","","90","","7954","3","193","2","193","1","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C30 H24 N10 Ni2 O12 -","- C30 H24 N10 Ni2 O12 -","- C240 H192 N80 Ni16 O96 -","8","0.25","","Ashleigh J. Fletcher; Edmund J. Cussen; Darren Bradshaw; Matthew J. Rosseinsky; K. Mark Thomas","Adsorption of Gases and Vapors on Nanoporous Ni2(4,4'-Bipyridine)3(NO3)4 Metal-Organic Framework Materials Templated with Methanol and Ethanol: Structural Effects in Adsorption Kinetics","Journal of the American Chemical Society","2004","126","","9750","9759","10.1021/ja0490267","","","0.71073","MoKα","","0.1359","0.0704","","","0.1972","0.2208","","","","","","0.9","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112837","12.3635","0.0015","23.491","0.003","23.867","0.003","90","","99.908","0.002","90","","6828.3","1.5","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","none","","","- C33 H42 Cl2 F36 Ir2 N6 O12 P6 -","- C33 H42 Cl2 F36 Ir2 N6 O12 P6 -","- C132 H168 Cl8 F144 Ir8 N24 O48 P24 -","4","1","","Thomas G. Gray; Adam S. Veige; Daniel G. Nocera","Cooperative Bimetallic Reactivity: Hydrogen Activation in Two-Electron Mixed-Valence Compounds","Journal of the American Chemical Society","2004","126","","9760","9768","10.1021/ja0491432","","","0.71073","MoKα","","0.1008","0.0919","","","0.2049","0.2091","","","","","","1.284","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112838","7.9721","0.0009","9.24","0.0011","11.3859","0.0013","109.621","0.002","94.117","0.002","101.647","0.002","764.84","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O3 S -","- C16 H20 O3 S -","- C32 H40 O6 S2 -","2","1","","Shengming Ma; Lianghua Lu; Junliang Zhang","Catalytic Regioselectivity Control in Ring-Opening Cycloisomerization of Methylene- or Alkylidenecyclopropyl Ketones","Journal of the American Chemical Society","2004","126","","9645","9660","10.1021/ja0494860","","","0.71073","MoKα","","0.0944","0.051","","","0.1042","0.1208","","","","","","0.908","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112839","17.931","0.004","8.4053","0.0016","10.938","0.002","90","","94.494","0.003","90","","1643.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O4 S -","- C16 H21.7 O4 S -","- C64 H86.8 O16 S4 -","4","1","","Shengming Ma; Lianghua Lu; Junliang Zhang","Catalytic Regioselectivity Control in Ring-Opening Cycloisomerization of Methylene- or Alkylidenecyclopropyl Ketones","Journal of the American Chemical Society","2004","126","","9645","9660","10.1021/ja0494860","","","0.71073","MoKα","","0.1009","0.0613","","","0.152","0.1734","","","","","","0.976","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112840","11.3404","0.0019","10.0567","0.0017","12.77","0.002","90","","115.267","0.003","90","","1317","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Cl O3 S -","- C12 H11 Cl O3 S -","- C48 H44 Cl4 O12 S4 -","4","1","","Shengming Ma; Lianghua Lu; Junliang Zhang","Catalytic Regioselectivity Control in Ring-Opening Cycloisomerization of Methylene- or Alkylidenecyclopropyl Ketones","Journal of the American Chemical Society","2004","126","","9645","9660","10.1021/ja0494860","","","0.71073","MoKα","","0.126","0.0494","","","0.0755","0.0895","","","","","","0.722","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112841","7.6277","0.0007","9.1238","0.0009","9.5937","0.0009","82.377","0.002","68.451","0.002","75.268","0.002","600.01","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Cl O3 S -","- C12 H11 Cl O3 S -","- C24 H22 Cl2 O6 S2 -","2","1","","Shengming Ma; Lianghua Lu; Junliang Zhang","Catalytic Regioselectivity Control in Ring-Opening Cycloisomerization of Methylene- or Alkylidenecyclopropyl Ketones","Journal of the American Chemical Society","2004","126","","9645","9660","10.1021/ja0494860","","","0.71073","MoKα","","0.0454","0.0422","","","0.1114","0.114","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112842","13.5924","0.0011","24.6866","0.0019","12.543","0.0011","100.987","0.007","107.008","0.006","81.744","0.007","3933.6","0.6","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H103 N6 P4 Si8 Zr2 -","- C67 H103 N6 P4 Si8 Zr2 -","- C134 H206 N12 P8 Si16 Zr4 -","2","1","","Lara Morello; Jason B. Love; Brian O. Patrick; Michael D. Fryzuk","Carbon-Nitrogen Bond Formation via the Reaction of Terminal Alkynes with a Dinuclear Side-on Dinitrogen Complex","Journal of the American Chemical Society","2004","126","","9480","9481","10.1021/ja049490b","","","0.71069","MoKα","","0.1174","0.0351","","","0.0857","0.1017","","","","","","0.972","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112843","12.5329","0.0007","13.3989","0.0005","25.9965","0.0018","91.876","0.002","103.279","0.001","107.544","0.002","4026.6","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H107 N6 P4 Si8 Zr2 -","- C69 H106.008 N6 P4 Si8 Zr2 -","- C138 H212.016 N12 P8 Si16 Zr4 -","2","1","","Lara Morello; Jason B. Love; Brian O. Patrick; Michael D. Fryzuk","Carbon-Nitrogen Bond Formation via the Reaction of Terminal Alkynes with a Dinuclear Side-on Dinitrogen Complex","Journal of the American Chemical Society","2004","126","","9480","9481","10.1021/ja049490b","","","0.71069","MoKα","","0.0743","0.0552","","","0.128","0.1364","","","","","","1.116","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112844","27.261","0.001","12.783","0.0004","28.343","0.001","90","","108.92","0.002","90","","9343.3","0.6","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C86 H128 N6 P4 Si8 Zr2 -","- C86 H128 N6 P4 Si8 Zr2 -","- C344 H512 N24 P16 Si32 Zr8 -","4","1","","Lara Morello; Jason B. Love; Brian O. Patrick; Michael D. Fryzuk","Carbon-Nitrogen Bond Formation via the Reaction of Terminal Alkynes with a Dinuclear Side-on Dinitrogen Complex","Journal of the American Chemical Society","2004","126","","9480","9481","10.1021/ja049490b","","","0.71069","MoKα","","0.1087","0.0503","","","0.0888","0.1025","","","","","","0.877","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112845","32.965","0.003","8.034","","16.39","0.002","90","","90.701","0.003","90","","4340.4","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 O5 S2 -","- C23 H24 O5 S2 -","- C184 H192 O40 S16 -","8","1","","Sang Ick Lee; Ji Hoon Park; Young Keun Chung; Sueg-Geun Lee","Rhodium-Catalyzed Carbonylative [3+2+1] Cycloaddition Reaction: Catalytic Formation of Bicyclic Cyclohexenones from Trienes and Carbon Monoxide [J. Am. Chem. Soc. 2004, 126, 2714-2715].","Journal of the American Chemical Society","2004","126","","10190","10190","10.1021/ja040813d","","","0.71073","MoKα","","0.1493","0.1244","","","0.3467","0.3639","","","","","","1.139","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112846","15.547","0.001","15.547","0.001","5.9581","0.0007","90","","90","","90","","1440.1","0.2","100","2","100","2","","","","","","","","4","P -4","P -4","81","PDTDA","4-(2'-pyridine)-1,2,3,5-dithiadiazolyl","","- C6 H4 N3 S2 -","- C6 H4 N3 S2 -","- C48 H32 N24 S16 -","8","2","","Nigel G. R. Hearns; Kathryn E. Preuss; John F. Richardson; Sofi Bin-Salamon","Design and Synthesis of a 4-(2'-Pyridyl)-1,2,3,5-Dithiadiazolyl Cobalt Complex","Journal of the American Chemical Society","2004","126","","9942","9943","10.1021/ja046304t","","","0.71073","MoKα","","0.0283","0.0267","","","0.0611","0.0616","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112847","8.872","0.0002","16.58","0.003","15.119","0.003","90","","90","","90","","2224","0.6","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","[4-(2'-pyridyl)-1,2,3,5-DTA]Co(hfac)2","[4-(2'-pyridine)-1,2,3,5-dithiadiazolyl]Co(hexaflouroacetate)2","","- C16 H6 Co F12 N3 O4 S2 -","- C16 H6 Co F12 N3 O4 S2 -","- C64 H24 Co4 F48 N12 O16 S8 -","4","1","","Nigel G. R. Hearns; Kathryn E. Preuss; John F. Richardson; Sofi Bin-Salamon","Design and Synthesis of a 4-(2'-Pyridyl)-1,2,3,5-Dithiadiazolyl Cobalt Complex","Journal of the American Chemical Society","2004","126","","9942","9943","10.1021/ja046304t","","","0.71073","MoKα","","0.0916","0.0522","","","0.1078","0.1201","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112848","7.843","0.007","10.205","0.005","10.691","0.008","83.99","0.05","73.01","0.07","77.47","0.06","798.1","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C34 H38 N2 O12 -","2","1","","Claude Spino; Hadi Rezaei; Kristina Dupont-Gaudet; Francis Bélanger","Inter- and Intramolecular [4 + 1]-Cycloadditions Between Electron-Poor Dienes and Electron-Rich Carbenes","Journal of the American Chemical Society","2004","126","","9926","9927","10.1021/ja046344x","","","0.71073","MoKα","","0.1514","0.074","","","0.1835","0.2134","","","","","","1.043","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112849","14.136","0.002","7.047","0.003","15.439","0.003","90","","90.434","0.013","90","","1537.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Claude Spino; Hadi Rezaei; Kristina Dupont-Gaudet; Francis Bélanger","Inter- and Intramolecular [4 + 1]-Cycloadditions Between Electron-Poor Dienes and Electron-Rich Carbenes","Journal of the American Chemical Society","2004","126","","9926","9927","10.1021/ja046344x","","","1.54056","CuKa","","0.1388","0.0858","","","0.2172","0.2509","","","","","","0.961","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112850","7.6242","0.0009","9.059","0.0009","12.9909","0.0011","94.16","0.008","100.234","0.008","112.484","0.008","806.06","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N2 O6 -","- C17 H19 N O6 -","- C34 H38 N2 O12 -","2","1","","Claude Spino; Hadi Rezaei; Kristina Dupont-Gaudet; Francis Bélanger","Inter- and Intramolecular [4 + 1]-Cycloadditions Between Electron-Poor Dienes and Electron-Rich Carbenes","Journal of the American Chemical Society","2004","126","","9926","9927","10.1021/ja046344x","","","0.7093","MoKα","","0.0603","0.0459","","","0.1107","0.1127","","","","","","1.109","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112851","10.055","0.005","10.268","0.005","19.814","0.005","90","0.005","90","0.005","90","0.005","2045.7","1.5","100","2","100","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C27 H37 -","- C27 H37 -","- C108 H148 -","4","0.5","","Toshikazu Kitagawa; Kohei Ogawa; Koichi Komatsu","Spin-Localized Cyclopentadienyl Radical Annelated with Homoadamantene Frameworks: Isolation, X-ray Crystal Structure, and ESR Characterization","Journal of the American Chemical Society","2004","126","","9930","9931","10.1021/ja046617o","","","0.71069","MoKα","","0.0784","0.0408","","","0.0621","0.0665","","","","","","1.002","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112852","10.065","0.005","18.356","0.005","18.442","0.005","90","0.005","93.821","0.005","90","0.005","3400","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H61 K O3 -","- C39 H61 K O3 -","- C156 H244 K4 O12 -","4","1","","Toshikazu Kitagawa; Kohei Ogawa; Koichi Komatsu","Spin-Localized Cyclopentadienyl Radical Annelated with Homoadamantene Frameworks: Isolation, X-ray Crystal Structure, and ESR Characterization","Journal of the American Chemical Society","2004","126","","9930","9931","10.1021/ja046617o","","","0.71069","MoKα","","0.062","0.0447","","","0.1099","0.116","","","","","","1.005","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112853","6.503","0.005","15.317","0.005","20.9","0.005","97.944","0.005","93.392","0.005","95.261","0.005","2047.7","1.8","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C27 H38 -","- C27 H38 -","- C108 H152 -","4","2","","Toshikazu Kitagawa; Kohei Ogawa; Koichi Komatsu","Spin-Localized Cyclopentadienyl Radical Annelated with Homoadamantene Frameworks: Isolation, X-ray Crystal Structure, and ESR Characterization","Journal of the American Chemical Society","2004","126","","9930","9931","10.1021/ja046617o","","","0.71069","MoKα","","0.0943","0.0534","","","0.0896","0.1008","","","","","","0.892","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112854","28.3783","0.0008","20.7597","0.0005","31.9587","0.0009","90","","94.983","0.001","90","","18756.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H69 Ag4 Au2.5 F9 P5.5 -","- C90 H69 Ag4 Au2.5 F9 P5.5 -","- C720 H552 Ag32 Au20 F72 P44 -","8","1","","Qiao-Hua Wei; Li-Yi Zhang; Gang-Qiang Yin; Lin-Xi Shi; Zhong-Ning Chen","Luminescent Heteronuclear AuI5AgI8 Complexes of {1,2,3-C6(C6H4R-4)3}3- (R = H, CH3, But) by Cyclotrimerization of Arylacetylides","Journal of the American Chemical Society","2004","126","","9940","9941","10.1021/ja047302b","","","0.71073","MoKα","","0.124","0.0692","","","0.1609","0.2022","","","","","","1.236","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112855","28.733","0.003","11.8213","0.0011","19.6365","0.0018","90","","112.349","0.002","90","","6168.8","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","{Me3NN]Cu=CPh2","","","- C36 H39 Cu N2 -","- C36 H39 Cu N2 -","- C288 H312 Cu8 N16 -","8","1","","Xuliang Dai; Timothy H. Warren","Discrete Bridging and Terminal Copper Carbenes in Copper-Catalyzed Cyclopropanation","Journal of the American Chemical Society","2004","126","","10085","10094","10.1021/ja047935q","","","0.71073","MoKα","","0.0886","0.0544","","","0.1377","0.1494","","","","","","1.055","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112856","23.906","0.002","23.681","0.002","19.3596","0.0019","90","","112.538","0.002","90","","10122.8","1.6","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","{[Me2NN]Cu}2(m-CPh2)","","","- C55 H60 Cu2 N4 -","- C55 H60 Cu2 N4 -","- C440 H480 Cu16 N32 -","8","1","","Xuliang Dai; Timothy H. Warren","Discrete Bridging and Terminal Copper Carbenes in Copper-Catalyzed Cyclopropanation","Journal of the American Chemical Society","2004","126","","10085","10094","10.1021/ja047935q","","","0.71073","MoKα","","0.086","0.0479","","","0.1068","0.1166","","","","","","0.9","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112857","9.6803","0.0017","10.1882","0.0018","10.5467","0.0018","61.938","0.003","76.23","0.003","63.747","0.003","822.6","0.3","299","2","299","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H19 B P -","- C17 H19 B P -","- C34 H38 B2 P2 -","2","2","","Garrett Hoge","Stereoselective Cyclization and Pyramidal Inversion Strategies for P-Chirogenic Phospholane Synthesis","Journal of the American Chemical Society","2004","126","","9920","9921","10.1021/ja048079l","","","0.71073","MoKα","","0.1472","0.0761","","","0.1454","0.1765","","","","","","1.021","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112858","8.3031","0.0012","13.308","0.0019","16.049","0.002","90","","90","","90","","1773.4","0.4","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 P2 S2 -","- C16 H24 P2 S2 -","- C64 H96 P8 S8 -","4","1","","Garrett Hoge","Stereoselective Cyclization and Pyramidal Inversion Strategies for P-Chirogenic Phospholane Synthesis","Journal of the American Chemical Society","2004","126","","9920","9921","10.1021/ja048079l","","","0.71073","MoKα","","0.1024","0.0603","","","0.121","0.1384","","","","","","1.006","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112859","13.9715","0.001","27.4987","0.001","17.0704","0.001","90","","97.856","0.01","90","","6496.9","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H75 Cl2 N9 O17 -","- C65 H63 Cl2 N9 O15.08 -","- C260 H252 Cl8 N36 O60.32 -","4","1","","Victor Maurizot; Christel Dolain; Yoann Leydet; Jean-Michel Léger; Philippe Guionneau; Ivan Huc","Design of an Inversion Center between Two Helical Segments","Journal of the American Chemical Society","2004","126","","10049","10052","10.1021/ja0481981","","","1.54178","CuKα","","0.1895","0.1708","","","0.459","0.4759","","","","","","1.128","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112860","18.8887","0.0011","19.094","0.0012","19.6816","0.0015","90","","98.967","0.003","90","","7011.6","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69 H77 Cl6 N8 O11 -","- C69 H77 Cl6 N8 O11 -","- C276 H308 Cl24 N32 O44 -","4","1","","Victor Maurizot; Christel Dolain; Yoann Leydet; Jean-Michel Léger; Philippe Guionneau; Ivan Huc","Design of an Inversion Center between Two Helical Segments","Journal of the American Chemical Society","2004","126","","10049","10052","10.1021/ja0481981","","","0.71073","MoKα","","0.1362","0.0814","","","0.2157","0.2625","","","","","","1.03","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112861","16.746","0.002","16.746","0.002","15.221","0.003","90","","90","","120","","3696.5","1","173","2","173","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C38 H77 Li6 N6 O6 -","- C38 H77 Li6 N6 O6 -","- C114 H231 Li18 N18 O18 -","3","0.333333","","Carsten Strohmann; Timo Seibel; Daniel Schildbach","The Crystal Structures of a Chiral Aminoalkoxide Cluster and Its Adduct with Benzyllithium","Journal of the American Chemical Society","2004","126","","9876","9877","10.1021/ja048216e","","","0.71073","MoKα","","0.0856","0.0495","","","0.1337","0.1447","","","","","","1.045","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112862","11.341","0.002","16.401","0.003","13.311","0.003","90","","100.2","0.03","90","","2436.8","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H79 Li7 N6 O6 -","- C43 H79 Li7 N6 O6 -","- C86 H158 Li14 N12 O12 -","2","1","","Carsten Strohmann; Timo Seibel; Daniel Schildbach","The Crystal Structures of a Chiral Aminoalkoxide Cluster and Its Adduct with Benzyllithium","Journal of the American Chemical Society","2004","126","","9876","9877","10.1021/ja048216e","","","0.71073","MoKα","","0.0777","0.0445","","","0.0901","0.1013","","","","","","1.04","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112863","20.2117","0.0007","15.3609","0.0005","17.3442","0.0006","90","","111.502","0.001","90","","5010.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52.15 H54.3 N12 O17 -","- C52.17 H52.65 N12 O17 -","- C208.68 H210.6 N48 O68 -","4","1","","Anxin Wu; Pritam Mukhopadhyay; Arindam Chakraborty; James C. Fettinger; Lyle Isaacs","Molecular Clips Form Isostructural Dimeric Aggregates from Benzene to Water","Journal of the American Chemical Society","2004","126","","10035","10043","10.1021/ja0486972","","","0.71073","MoKα","","0.0948","0.0521","","","0.1426","0.1595","","","","","","1.096","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112864","15.1206","0.0006","16.0783","0.0007","24.5229","0.0011","72.5","0.001","79.253","0.001","66.396","0.001","5195.3","0.4","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C105 H122 Cl8 Fe2 N8 O6 -","- C105 H122 Cl8 Fe2 N8 O6 -","- C210 H244 Cl16 Fe4 N16 O12 -","2","1","","Christopher J. Chang; Zhi-Heng Loh; Chunnian Shi; Fred C. Anson; Daniel G. Nocera","Targeted Proton Delivery in the Catalyzed Reduction of Oxygen to Water by Bimetallic Pacman Porphyrins","Journal of the American Chemical Society","2004","126","","10013","10020","10.1021/ja049115j","","","0.71073","MoKα","","0.1311","0.0858","","","0.2103","0.2496","","","","","","1.051","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112865","8.7648","0.0009","13.7145","0.0014","9.8113","0.001","90","","109.383","0.001","90","","1112.5","0.2","171","1","171","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H37 Mo P2 Si -","- C18 H37 Mo P2 Si -","- C36 H74 Mo2 P4 Si2 -","2","0.5","","Benjamin V. Mork; T. Don Tilley; Arthur J. Schultz; John A. Cowan","Silylene Hydride Complexes of Molybdenum with Silicon-Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)","Journal of the American Chemical Society","2004","126","","10428","10440","10.1021/ja040026g","","","0.71073","MoKα","","0.058","0.0481","","0.1302","0.1248","","","","1.059","1.117","1.117","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112866","8.6997","0.0006","17.233","0.0011","16.3335","0.0011","90","","102.332","0.001","90","","2392.2","0.3","144","1","144","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H42 Mo P2 Si -","- C20 H42 Mo P2 Si -","- C80 H168 Mo4 P8 Si4 -","4","1","","Benjamin V. Mork; T. Don Tilley; Arthur J. Schultz; John A. Cowan","Silylene Hydride Complexes of Molybdenum with Silicon-Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)","Journal of the American Chemical Society","2004","126","","10428","10440","10.1021/ja040026g","","","0.71073","MoKα","","0.0365","0.0316","","0.0906","0.0876","","","","1.153","1.188","1.188","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112867","8.615","0.003","17.087","0.005","16.187","0.006","90","","102.49","0.03","90","","2326.4","1.4","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H42 Mo P2 Si -","- C20 H42 Mo P2 Si -","- C80 H168 Mo4 P8 Si4 -","4","1","","Benjamin V. Mork; T. Don Tilley; Arthur J. Schultz; John A. Cowan","Silylene Hydride Complexes of Molybdenum with Silicon-Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)","Journal of the American Chemical Society","2004","126","","10428","10440","10.1021/ja040026g","powder diffraction","","","","","","","","","","","","","1.44","","","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112868","14.1108","0.0002","12.2418","0.0003","14.0009","0.0001","90","","90","","90","","2418.54","0.07","143","1","143","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H37 Mo P2 Si -","- C22 H37 Mo P2 Si -","- C88 H148 Mo4 P8 Si4 -","4","0.5","","Benjamin V. Mork; T. Don Tilley; Arthur J. Schultz; John A. Cowan","Silylene Hydride Complexes of Molybdenum with Silicon-Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)","Journal of the American Chemical Society","2004","126","","10428","10440","10.1021/ja040026g","","","0.71073","MoKα","","0.041","0.0301","","0.0798","0.0759","","","","0.911","0.978","0.978","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112869","15.8943","0.0006","10.6417","0.0006","17.5824","0.0007","90","","95.083","0.003","90","","2962.2","0.2","114","1","114","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 Mo P2 Si2 -","- C28 H41 Mo P2 Si2 -","- C112 H164 Mo4 P8 Si8 -","4","1","","Benjamin V. Mork; T. Don Tilley; Arthur J. Schultz; John A. Cowan","Silylene Hydride Complexes of Molybdenum with Silicon-Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)","Journal of the American Chemical Society","2004","126","","10428","10440","10.1021/ja040026g","","","0.71073","MoKα","","0.1509","0.0721","","0.2114","0.1685","","","","0.992","1.09","1.09","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112870","9.0505","0.0005","14.5815","0.0008","21.9795","0.0012","90","","96.229","0.001","90","","2883.5","0.3","128","1","128","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C123 H48 Mo P2 Si2 -","- C23 H48 Mo P2 Si2 -","- C92 H192 Mo4 P8 Si8 -","4","1","","Benjamin V. Mork; T. Don Tilley; Arthur J. Schultz; John A. Cowan","Silylene Hydride Complexes of Molybdenum with Silicon-Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)","Journal of the American Chemical Society","2004","126","","10428","10440","10.1021/ja040026g","","","0.71073","MoKα","","0.0721","0.0425","","0.1117","0.1004","","","","0.964","1.051","1.051","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112871","9.6863","0.0004","19.9872","0.0009","14.0443","0.0003","90","","105.414","0.002","90","","2621.2","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 Fe O3 P -","- C31 H31 Fe O3 P -","- C124 H124 Fe4 O12 P4 -","4","1","","Bernhard Breit; Daniel Breuninger","Desymmetrizing Hydroformylation with the Aid of a Planar Chiral Catalyst-Directing Group","Journal of the American Chemical Society","2004","126","","10244","10245","10.1021/ja0467364","","","0.71073","MoKα","","0.0649","0.0394","","","0.0915","0.0993","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112872","15.6449","0.0015","16.4566","0.0016","14.5862","0.0014","90","","98.653","0.002","90","","3712.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 N4 Pd -","- C42 H48 N4 Pd -","- C168 H192 N16 Pd4 -","4","1","","Michael M. Konnick; Ilia A. Guzei; Shannon S. Stahl","Characterization of Peroxo and Hydroperoxo Intermediates in the Aerobic Oxidation of N-Heterocyclic-Carbene-Coordinated Palladium(0)","Journal of the American Chemical Society","2004","126","","10212","10213","10.1021/ja046884u","","","0.71073","MoKα","","0.0518","0.0469","","","0.1092","0.111","","","","","","1.2","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112873","13.3902","0.0011","14.641","0.0012","22.6735","0.0018","90","","98.1911","0.0014","90","","4399.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H56 N4 O2 Pd -","- C42 H48 N4 O2 Pd -","- C168 H192 N16 O8 Pd4 -","4","1","","Michael M. Konnick; Ilia A. Guzei; Shannon S. Stahl","Characterization of Peroxo and Hydroperoxo Intermediates in the Aerobic Oxidation of N-Heterocyclic-Carbene-Coordinated Palladium(0)","Journal of the American Chemical Society","2004","126","","10212","10213","10.1021/ja046884u","","","0.71073","MoKα","","0.0327","0.0297","","","0.0816","0.0832","","","","","","1.093","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112874","13.0229","0.0013","9.9968","0.001","16.3609","0.0016","90","","106.128","0.0014","90","","2046.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 N4 O4 Pd -","- C46 H54 N4 O4 Pd -","- C92 H108 N8 O8 Pd2 -","2","0.5","","Michael M. Konnick; Ilia A. Guzei; Shannon S. Stahl","Characterization of Peroxo and Hydroperoxo Intermediates in the Aerobic Oxidation of N-Heterocyclic-Carbene-Coordinated Palladium(0)","Journal of the American Chemical Society","2004","126","","10212","10213","10.1021/ja046884u","","","0.71073","MoKα","","0.0343","0.0323","","","0.0851","0.0868","","","","","","1.016","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112875","10.5668","0.0003","11.8758","0.0004","12.7952","0.0004","67.749","0.001","65.788","0.001","67.489","0.001","1305.19","0.07","98","2","98","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H33 F3 N3 O3 P S -","- C24 H33 F3 N3 O3 P S -","- C48 H66 F6 N6 O6 P2 S2 -","2","1","","Emmanuelle Despagnet-Ayoub; Robert H. Grubbs","A Stable Four-Membered N-Heterocyclic Carbene","Journal of the American Chemical Society","2004","126","","10198","10199","10.1021/ja047892d","","","0.71073","MoKα","","0.0719","0.045","","","0.0829","0.085","","","","","","1.703","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4112876","8.9994","0.001","26.366","0.003","12.6593","0.0014","90","","94.24","0.002","90","","2995.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H48 N3 P -","- C31 H48 N3 P -","- C124 H192 N12 P4 -","4","1","","Emmanuelle Despagnet-Ayoub; Robert H. Grubbs","A Stable Four-Membered N-Heterocyclic Carbene","Journal of the American Chemical Society","2004","126","","10198","10199","10.1021/ja047892d","","","0.71073","MoKα","","0.0822","0.0525","","","0.081","0.0846","","","","","","1.496","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112877","13.7626","0.0006","16.2123","0.0008","21.7085","0.001","90","","101.342","0.001","90","","4749.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H72 N6 P2 -","- C50 H72 N6 P2 -","- C200 H288 N24 P8 -","4","1","","Emmanuelle Despagnet-Ayoub; Robert H. Grubbs","A Stable Four-Membered N-Heterocyclic Carbene","Journal of the American Chemical Society","2004","126","","10198","10199","10.1021/ja047892d","","","0.71073","MoKα","","0.095","0.05","","","0.0728","0.077","","","","","","1.445","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112878","13.21","0.003","13.543","0.003","5.9072","0.0012","90","","90","","90","","1056.8","0.4","180","2","180","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H2 K3 O10 Si3 Tb -","- H2 K3 O10 Si3 Tb -","- H8 K12 O40 Si12 Tb4 -","4","0.5","","Duarte Ananias; Mariya Kostova; Filipe A. Almeida Paz; Artur Ferreira; Luís D. Carlos; Jacek Klinowski; João Rocha","Photoluminescent Layered Lanthanide Silicates","Journal of the American Chemical Society","2004","126","","10410","10417","10.1021/ja047905n","","","0.71073","MoKα","","0.0408","0.0339","","","0.0838","0.0876","","","","","","1.085","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112879","13.1526","0.0003","13.5228","0.0003","5.8676","0.0002","90","","90","","90","","1043.61","0.05","293","2","298","","","","","","","","synthesis as described in the paper","5","P n m a","-P 2ac 2n","62","","Tripotassium erbium triorthosilicate","","- Er H2 K3 O10 Si3 -","- Er H2 K3 O10 Si3 -","- Er4 H8 K12 O40 Si12 -","4","0.5","","Duarte Ananias; Mariya Kostova; Filipe A. Almeida Paz; Artur Ferreira; Luís D. Carlos; Jacek Klinowski; João Rocha","Photoluminescent Layered Lanthanide Silicates","Journal of the American Chemical Society","2004","126","","10410","10417","10.1021/ja047905n","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0574","2.76","","","","","","","has coordinates","213922","2020-10-21","18:00:00",""
"4112880","13.2462","0.0002","13.6103","0.0003","5.9436","0.0002","90","","90","","90","","1071.54","0.05","293","2","298","","","","","","","","synthesis as described in the paper","5","P n m a","-P 2ac 2n","62","","Tripotassium europium triorthosilicate","","- Eu H2 K3 O10 Si3 -","- Eu H2 K3 O10 Si3 -","- Eu4 H8 K12 O40 Si12 -","4","0.5","","Duarte Ananias; Mariya Kostova; Filipe A. Almeida Paz; Artur Ferreira; Luís D. Carlos; Jacek Klinowski; João Rocha","Photoluminescent Layered Lanthanide Silicates","Journal of the American Chemical Society","2004","126","","10410","10417","10.1021/ja047905n","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0952","6.7","","","","","","","has coordinates","213922","2020-10-21","18:00:00",""
"4112881","10.3359","0.0004","15.0175","0.0006","8.8638","0.0004","90","","105.356","0.0031","90","","1326.71","0.1","298","","298","","","","","","","","synth-as-discribed","2","C 1 2/m 1","-C 2y","12","ITQ-12","[Si24O48]-ITW-ITQ-12","","- O6 Si3 -","- O6 Si3 -","- O48 Si24 -","8","1","","Xiaobo Yang; Miguel A. Camblor; Yongjae Lee; Haiming Liu; David H. Olson","Synthesis and Crystal Structure of As-Synthesized and Calcined Pure Silica Zeolite ITQ-12","Journal of the American Chemical Society","2004","126","","10403","10409","10.1021/ja0481474","","x-ray","0.71026","","","","","","","","","0.10466","","6.61","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112882","10.336","0.0004","15.0177","0.0006","8.8639","0.00035","90","","105.356","0.0029","90","","1326.76","0.09","298","","298","","","","","","","","","2","C 1 m 1","C -2y","8","zeolite ITQ-12","[Si24O48]-ITW-ITQ-12","","- O48 Si24 -","- O12 Si6 -","- O48 Si24 -","4","1","","Xiaobo Yang; Miguel A. Camblor; Yongjae Lee; Haiming Liu; David H. Olson","Synthesis and Crystal Structure of As-Synthesized and Calcined Pure Silica Zeolite ITQ-12","Journal of the American Chemical Society","2004","126","","10403","10409","10.1021/ja0481474","","","0.71026","synchrotron","","","","","","","","","","6.32","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112883","10.44783","0.00029","14.9854","0.0004","8.83659","0.00027","90","","105.935","0.0019","90","","1330.34","0.07","298","","298","","","","","","","","Synth-as-deiscribed","5","C 1 m 1","C -2y","8","ITQ-12","","","- C6 F N2 O24 Si12 -","- C5.5 F N2 O24 Si12 -","- C11 F2 N4 O48 Si24 -","2","0.5","","Xiaobo Yang; Miguel A. Camblor; Yongjae Lee; Haiming Liu; David H. Olson","Synthesis and Crystal Structure of As-Synthesized and Calcined Pure Silica Zeolite ITQ-12","Journal of the American Chemical Society","2004","126","","10403","10409","10.1021/ja0481474","","x-ray","0.71026","Synchrotron","","","","","","","","0.07495","","5.88","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112884","11.8634","0.0009","6.4554","0.0005","17.1787","0.0013","90","","90","","90","","1315.6","0.17","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H4 N2 O2 S -","- C5 H4 N2 O2 S -","- C40 H32 N16 O16 S8 -","8","1","","Michael T. Ashby; Halikhedkar Aneetha","Reactive Sulfur Species: Aqueous Chemistry of Sulfenyl Thiocyanates","Journal of the American Chemical Society","2004","126","","10216","10217","10.1021/ja048585a","","","0.71073","MoKα","","0.0411","0.0389","","","0.1106","0.113","","","","","","1.051","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4112885","18.903","0.004","18.624","0.004","20.125","0.004","90","","94.36","0.03","90","","7064","3","133","2","133","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C72.65 H108.9 Al2 N4 O0.45 S2 Si2 -","- C72.653 H108.898 Al2 N4 O0.449 S2 Si2 -","- C290.612 H435.592 Al8 N16 O1.796 S8 Si8 -","4","1","","Hongping Zhu; Jianfang Chai; Qingjun Ma; Vojtech Jancik; Herbert W. Roesky; Hongjun Fan; Regine Herbst-Irmer","A Seven-Membered Aluminum Sulfur Allenyl Heterocycle Arising from the Conversion of an Aluminacyclopropene with CS2","Journal of the American Chemical Society","2004","126","","10194","10195","10.1021/ja049462t","","","1.54178","CuKα","","0.0421","0.0339","","","0.0728","0.0761","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112886","10.166","0.002","12.781","0.003","17.393","0.004","77.19","0.03","87.82","0.03","81.06","0.03","2176.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42.32 H68.79 Al N2 O2.89 Si2 -","- C42.321 H68.786 Al N2 O2.893 Si2 -","- C84.642 H137.572 Al2 N4 O5.786 Si4 -","2","1","","Hongping Zhu; Jianfang Chai; Qingjun Ma; Vojtech Jancik; Herbert W. Roesky; Hongjun Fan; Regine Herbst-Irmer","A Seven-Membered Aluminum Sulfur Allenyl Heterocycle Arising from the Conversion of an Aluminacyclopropene with CS2","Journal of the American Chemical Society","2004","126","","10194","10195","10.1021/ja049462t","","","1.54178","CuKα","","0.0368","0.0357","","","0.0885","0.0895","","","","","","1.024","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112887","10.448","","14.9855","","8.8367","","90","","105.94","","90","","1330.35","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 F2 I24 N4 O48 S -","- C1.5 F0.25 N0.5 O6 Si3 -","- C12 F2 N4 O48 Si24 -","8","1","","Xiaobo Yang; Miguel A. Camblor; Yongjae Lee; Haiming Liu; David H. Olson","Synthesis and Crystal Structure of As-Synthesized and Calcined Pure Silica Zeolite ITQ-12","Journal of the American Chemical Society","2004","126","","10403","10409","10.1021/ja0481474","","","","","","","","","","","","","","5.62","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112888","13.6056","0.0003","23.3073","0.0004","19.1246","0.0004","90","","105.461","0.001","90","","5845.1","0.2","150","1","150","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C92 H94 F12 N10 O32 P4 Pt2 S4 -","- C92 H94 F12 N10 O32 P4 Pt2 S4 -","- C184 H188 F24 N20 O64 P8 Pt4 S8 -","2","0.5","","Biswaroop Chatterjee; Juan C. Noveron; Marino J. E. Resendiz; Jie Liu; Takuya Yamamoto; Daniel Parker; Martin Cinke; Cattien V. Nguyen; Atta M. Arif; Peter J. Stang","Self-Assembly of Flexible Supramolecular Metallacyclic Ensembles: Structures and Adsorption Properties of Their Nanoporous Crystalline Frameworks","Journal of the American Chemical Society","2004","126","","10645","10656","10.1021/ja0388919","","","0.71073","MoKα","","0.0972","0.0652","","","0.165","0.1836","","","","","","1.116","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112889","13.2388","0.0003","24.2168","0.0005","19.015","0.0004","90","","106.889","0.0011","90","","5833.3","0.2","150","1","150","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C97 H89 F12 N4 O20 P4 Pt2 S4 -","- C97 H89 F12 N4 O20 P4 Pt2 S4 -","- C194 H178 F24 N8 O40 P8 Pt4 S8 -","2","0.5","","Biswaroop Chatterjee; Juan C. Noveron; Marino J. E. Resendiz; Jie Liu; Takuya Yamamoto; Daniel Parker; Martin Cinke; Cattien V. Nguyen; Atta M. Arif; Peter J. Stang","Self-Assembly of Flexible Supramolecular Metallacyclic Ensembles: Structures and Adsorption Properties of Their Nanoporous Crystalline Frameworks","Journal of the American Chemical Society","2004","126","","10645","10656","10.1021/ja0388919","","","0.71073","MoKα","","0.1386","0.0812","","","0.1872","0.2126","","","","","","1.086","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112890","10.5043","0.0002","12.0394","0.0003","20.2334","0.0006","91.9466","0.001","104.844","0.0012","90.2628","0.002","2471.77","0.11","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C90 H92 F12 N4 O24 P4 Pd2 S4 -","- C90 H92 F12 N4 O24 P4 Pd2 S4 -","- C90 H92 F12 N4 O24 P4 Pd2 S4 -","1","0.5","","Biswaroop Chatterjee; Juan C. Noveron; Marino J. E. Resendiz; Jie Liu; Takuya Yamamoto; Daniel Parker; Martin Cinke; Cattien V. Nguyen; Atta M. Arif; Peter J. Stang","Self-Assembly of Flexible Supramolecular Metallacyclic Ensembles: Structures and Adsorption Properties of Their Nanoporous Crystalline Frameworks","Journal of the American Chemical Society","2004","126","","10645","10656","10.1021/ja0388919","","","0.71073","MoKα","","0.0893","0.0551","","","0.1242","0.1417","","","","","","1.016","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112891","8.8151","0.0001","9.0347","0.0001","22.8904","0.0004","90.8881","0.0006","91.573","0.0006","99.6842","0.0006","1796","0.04","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C45 H63 F12 N5 O22 P4 Pt2 S4 -","- C45 H63 F12 N5 O22 P4 Pt2 S4 -","- C45 H63 F12 N5 O22 P4 Pt2 S4 -","1","0.5","","Biswaroop Chatterjee; Juan C. Noveron; Marino J. E. Resendiz; Jie Liu; Takuya Yamamoto; Daniel Parker; Martin Cinke; Cattien V. Nguyen; Atta M. Arif; Peter J. Stang","Self-Assembly of Flexible Supramolecular Metallacyclic Ensembles: Structures and Adsorption Properties of Their Nanoporous Crystalline Frameworks","Journal of the American Chemical Society","2004","126","","10645","10656","10.1021/ja0388919","","","0.71073","MoKα","","0.055","0.051","","","0.1217","0.1233","","","","","","1.187","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112892","8.8035","0.0002","9.1015","0.0002","23.335","0.0007","89.8587","0.0007","88.1624","0.0008","80.5377","0.0016","1843.32","0.08","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C50 H74 F12 N4 O21 P4 Pt2 S4 -","- C50 H74 F12 N4 O21 P4 Pt2 S4 -","- C50 H74 F12 N4 O21 P4 Pt2 S4 -","1","0.5","","Biswaroop Chatterjee; Juan C. Noveron; Marino J. E. Resendiz; Jie Liu; Takuya Yamamoto; Daniel Parker; Martin Cinke; Cattien V. Nguyen; Atta M. Arif; Peter J. Stang","Self-Assembly of Flexible Supramolecular Metallacyclic Ensembles: Structures and Adsorption Properties of Their Nanoporous Crystalline Frameworks","Journal of the American Chemical Society","2004","126","","10645","10656","10.1021/ja0388919","","","0.71073","MoKα","","0.0558","0.0429","","","0.0938","0.1003","","","","","","1.054","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112893","12.8418","0.0003","28.6558","0.0007","14.1269","0.0004","90","","105.472","0.001","90","","5010.2","0.2","150","1","150","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C91 H80 F12 N4 O21 P4 Pd2 S4 -","- C91 H80 F12 N4 O21 P4 Pd2 S4 -","- C182 H160 F24 N8 O42 P8 Pd4 S8 -","2","0.5","","Biswaroop Chatterjee; Juan C. Noveron; Marino J. E. Resendiz; Jie Liu; Takuya Yamamoto; Daniel Parker; Martin Cinke; Cattien V. Nguyen; Atta M. Arif; Peter J. Stang","Self-Assembly of Flexible Supramolecular Metallacyclic Ensembles: Structures and Adsorption Properties of Their Nanoporous Crystalline Frameworks","Journal of the American Chemical Society","2004","126","","10645","10656","10.1021/ja0388919","","","0.71073","MoKα","","0.1261","0.069","","","0.1619","0.1882","","","","","","1.033","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112894","11.7834","0.0002","15.3708","0.0003","15.4053","0.0003","88.4998","0.0008","81.9321","0.0008","70.4728","0.0013","2603.06","0.09","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C98 H88 F12 N8 O24 P4 Pd2 S4 -","- C98 H88 F12 N8 O24 P4 Pd2 S4 -","- C98 H88 F12 N8 O24 P4 Pd2 S4 -","1","0.5","","Biswaroop Chatterjee; Juan C. Noveron; Marino J. E. Resendiz; Jie Liu; Takuya Yamamoto; Daniel Parker; Martin Cinke; Cattien V. Nguyen; Atta M. Arif; Peter J. Stang","Self-Assembly of Flexible Supramolecular Metallacyclic Ensembles: Structures and Adsorption Properties of Their Nanoporous Crystalline Frameworks","Journal of the American Chemical Society","2004","126","","10645","10656","10.1021/ja0388919","","","0.71073","MoKα","","0.0945","0.0615","","","0.1384","0.1576","","","","","","1.027","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112895","10.132","0.003","13.768","0.004","21.539","0.006","81.366","0.004","86.409","0.004","86.84","0.005","2961.6","1.5","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H136 N16 O4 Ru4 Si2 -","- C119.152 H117.872 N16 O3.516 Ru4 Si2 -","- C119.152 H117.872 N16 O3.516 Ru4 Si2 -","1","0.5","","Yanhui Shi; Gordon T. Yee; Guangbin Wang; Tong Ren","A New Direction in Carbon-Rich Organometallic Wires: Diruthenium Compounds Bridged by E-Hex-3-ene-1,5-diyn-diyl","Journal of the American Chemical Society","2004","126","","10552","10553","10.1021/ja0466614","","","0.71073","MoKα","","0.1012","0.0527","","","0.1335","0.1522","","","","","","1.019","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112896","11.806","0.003","18.744","0.005","13.238","0.004","90","","92.104","0.005","90","","2927.5","1.4","373","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H51 F6 Ni P3 Si -","- C22 H51 F6 Ni P3 Si -","- C88 H204 F24 Ni4 P12 Si4 -","4","1","","Kristina D. Kitiachvili; Daniel J. Mindiola; Gregory L. Hillhouse","Preparation of Stable Alkyl Complexes of Ni(I) and Their One-Electron Oxidation to Ni(II) Complex Cations","Journal of the American Chemical Society","2004","126","","10554","10555","10.1021/ja047052z","","","0.71073","MoKα","","0.0902","0.0711","","","0.149","0.1571","","","","","","1.132","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112897","10.38","0.006","16.047","0.009","16.455","0.009","90","","107.844","0.01","90","","2609","3","373","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H51 Ni P2 -","- C23 H51 Ni P2 -","- C92 H204 Ni4 P8 -","4","1","","Kristina D. Kitiachvili; Daniel J. Mindiola; Gregory L. Hillhouse","Preparation of Stable Alkyl Complexes of Ni(I) and Their One-Electron Oxidation to Ni(II) Complex Cations","Journal of the American Chemical Society","2004","126","","10554","10555","10.1021/ja047052z","","","0.71073","MoKα","","0.0543","0.0451","","","0.1009","0.1055","","","","","","1.05","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112898","35.135","0.003","12.723","0.0011","13.4387","0.0012","90","","90","","90","","6007.4","0.9","373","2","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C60 H65 B F24 Ni P2 -","- C60 H65 B F24 Ni P2 -","- C240 H260 B4 F96 Ni4 P8 -","4","1","","Kristina D. Kitiachvili; Daniel J. Mindiola; Gregory L. Hillhouse","Preparation of Stable Alkyl Complexes of Ni(I) and Their One-Electron Oxidation to Ni(II) Complex Cations","Journal of the American Chemical Society","2004","126","","10554","10555","10.1021/ja047052z","","","0.71073","MoKα","","0.0637","0.0579","","","0.1283","0.1317","","","","","","1.064","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112899","8.7734","0.0005","15.7513","0.0009","18.5648","0.0011","90","","91.093","0.001","90","","2565","0.3","373","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 Ni P2 Si -","- C22 H50 Ni P2 Si -","- C88 H200 Ni4 P8 Si4 -","4","1","","Kristina D. Kitiachvili; Daniel J. Mindiola; Gregory L. Hillhouse","Preparation of Stable Alkyl Complexes of Ni(I) and Their One-Electron Oxidation to Ni(II) Complex Cations","Journal of the American Chemical Society","2004","126","","10554","10555","10.1021/ja047052z","","","0.71073","MoKα","","0.0459","0.0392","","","0.1039","0.1076","","","","","","1.046","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112900","18.6448","0.0014","17.6953","0.0014","12.6498","0.001","90","","114.431","0.001","90","","3799.8","0.5","91","2","91","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","[Li(THF)3(Et2O)][Li(HGeDipp*)2]","","","- C76 H98 Ge2 Li2 O4 -","- C78 H98 Ge2 Li2 O4 -","- C156 H196 Ge4 Li4 O8 -","2","0.25","","Anne F. Richards; Marcin Brynda; Philip P. Power","Reduction of Digermenes with Alkali Metals: Salts of Formula M2[{Ge(H)Ar'}2] (M = Li, Na, or K, Ar' = Terphenyl) with Three Different Structures","Journal of the American Chemical Society","2004","126","","10530","10531","10.1021/ja047090i","","","0.71073","MoKα","","0.0996","0.0866","","","0.2484","0.2612","","","","","","1.092","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112901","11.4599","0.0011","18.3736","0.0018","13.3713","0.0013","90","","101.959","0.002","90","","2754.3","0.5","91","2","91","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[(Dipp*GeH2)]K2","","","- C60 H76 Ge2 K2 -","- C60 H76 Ge2 K2 -","- C120 H152 Ge4 K4 -","2","0.5","","Anne F. Richards; Marcin Brynda; Philip P. Power","Reduction of Digermenes with Alkali Metals: Salts of Formula M2[{Ge(H)Ar'}2] (M = Li, Na, or K, Ar' = Terphenyl) with Three Different Structures","Journal of the American Chemical Society","2004","126","","10530","10531","10.1021/ja047090i","","","0.71073","MoKα","","0.038","0.0304","","","0.0781","0.0848","","","","","","0.875","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112902","11.6034","0.0015","17.856","0.002","13.1893","0.0017","90","","100.058","0.002","90","","2690.7","0.6","91","2","91","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Na]2[Dipp*Ge(mu-H)]2","","","- C60 H76 Ge2 Na2 -","- C60 H76 Ge2 Na2 -","- C120 H152 Ge4 Na4 -","2","0.5","","Anne F. Richards; Marcin Brynda; Philip P. Power","Reduction of Digermenes with Alkali Metals: Salts of Formula M2[{Ge(H)Ar'}2] (M = Li, Na, or K, Ar' = Terphenyl) with Three Different Structures","Journal of the American Chemical Society","2004","126","","10530","10531","10.1021/ja047090i","","","0.71073","MoKα","","0.0472","0.0384","","","0.1042","0.1112","","","","","","1.033","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112903","10.9314","0.0013","19.06","0.002","36.468","0.004","90","","90","","90","","7598.2","1.5","118","2","118","2","","","","","","","","5","P 21 c a","P -2ac 2a","29","","","","- C38 H62 N2 Si V -","- C37.9885 H61.9655 N2 Si V -","- C303.908 H495.724 N16 Si8 V8 -","8","2","","Falguni Basuli; Brad C. Bailey; Douglas Brown; John Tomaszewski; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal Vanadium-Neopentylidyne Complexes and Intramolecular Cross-Metathesis Reactions to Generate Azametalacyclohexatrienes","Journal of the American Chemical Society","2004","126","","10506","10507","10.1021/ja0472376","","","0.71073","MoKα","","0.1064","0.0822","","","0.2174","0.2344","","","","","","1.013","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112904","19.3873","0.0014","19.3873","0.0014","19.837","0.003","90","","90","","90","","7456.1","1.4","118","2","118","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C35 H50 F3 N2 O3 S V -","- C35 H50 F3 N2 O3 S V -","- C280 H400 F24 N16 O24 S8 V8 -","8","1","","Falguni Basuli; Brad C. Bailey; Douglas Brown; John Tomaszewski; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal Vanadium-Neopentylidyne Complexes and Intramolecular Cross-Metathesis Reactions to Generate Azametalacyclohexatrienes","Journal of the American Chemical Society","2004","126","","10506","10507","10.1021/ja0472376","","","0.71073","MoKα","","0.0648","0.0431","","","0.0955","0.1015","","","","","","0.9","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112905","9.4958","0.0009","10.8384","0.001","17.7702","0.0017","96.789","0.002","91.184","0.003","99.567","0.002","1789.3","0.3","112","2","112","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H50 F3 N2 O3 S V -","- C35 H50 F3 N2 O3 S V -","- C70 H100 F6 N4 O6 S2 V2 -","2","1","","Falguni Basuli; Brad C. Bailey; Douglas Brown; John Tomaszewski; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal Vanadium-Neopentylidyne Complexes and Intramolecular Cross-Metathesis Reactions to Generate Azametalacyclohexatrienes","Journal of the American Chemical Society","2004","126","","10506","10507","10.1021/ja0472376","","","0.71073","MoKα","","0.0527","0.0382","","","0.0943","0.0999","","","","","","0.945","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112906","12.054","0.008","14.486","0.01","18.387","0.013","95.661","0.019","101.827","0.016","101.927","0.019","3041","4","118","2","118","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H90 B N2 O2 V -","- C66 H84.191 B N2 O2 V -","- C132 H168.382 B2 N4 O4 V2 -","2","1","","Falguni Basuli; Brad C. Bailey; Douglas Brown; John Tomaszewski; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal Vanadium-Neopentylidyne Complexes and Intramolecular Cross-Metathesis Reactions to Generate Azametalacyclohexatrienes","Journal of the American Chemical Society","2004","126","","10506","10507","10.1021/ja0472376","","","0.71073","MoKα","","0.1466","0.0613","","","0.1252","0.1509","","","","","","0.812","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112907","20.5213","0.0003","20.5213","0.0003","20.5213","0.0003","90","","90","","90","","8642","0.2","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Co2[C4H4O(COO)4](H2O)2 x 2.33(H2O)","","- C8 H8 Co2 O13.33 -","- C8 H8 Co2 O13.3333 -","- C192 H192 Co48 O320 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.0375","0.035","","","0.106","0.1084","","","","","","1.047","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112908","20.7929","0.0003","20.7929","0.0003","20.7929","0.0003","90","","90","","90","","8989.7","0.2","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","{[Zn3[C4H4O(COO)4](OH)2(H2O)1.33} x [Zn(OH)2(H2O)4]0.06 x (~3H2O)","","- C8 H6 O15.67 Zn3.06 -","- C8 H6 O15.6667 Zn3.06017 -","- C192 H144 O376 Zn73.444 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.0315","0.0299","","","0.0954","0.0963","","","","","","1.113","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112909","20.329","0.001","20.329","0.001","20.329","0.001","90","","90","","90","","8401.3","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Co2[C4H4O(COO)4](H2O)","","- C8 H6 Co2 O10 -","- C8 H6 Co2 O10 -","- C192 H144 Co48 O240 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.1514","0.0695","","","0.1432","0.1773","","","","","","1.004","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112910","20.448","0.001","20.448","0.001","20.448","0.001","90","","90","","90","","8549.7","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Co2[C4H4O(COO)4](H2O)2 x 2.33H2O","","- C8 H8 Co2 O13.33 -","- C8 H8 Co2 O13.3333 -","- C192 H192 Co48 O320 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.0924","0.0541","","","0.1302","0.1481","","","","","","1.073","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112911","20.273","0.001","20.273","0.001","20.273","0.001","90","","90","","90","","8332.1","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Co2[C4H4O(COO)4](H2O)","","- C8 H4 Co2 O10 -","- C8 H4 Co2 O10 -","- C192 H96 Co48 O240 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.203","0.0821","","","0.1852","0.2211","","","","","","0.938","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112912","20.495","0.001","20.495","0.001","20.495","0.001","90","","90","","90","","8608.8","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Co2[C4H4O(COO)4](H2O)2 x 2.33(H2O)","","- C8 H8 Co2 O13.33 -","- C8 H8 Co2 O13.3333 -","- C192 H192 Co48 O320 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.0817","0.0531","","","0.1362","0.1528","","","","","","1.038","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112913","20.482","0.001","20.482","0.001","20.482","0.001","90","","90","","90","","8592.5","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","{[Zn3(O)0.75[C4H4O(COO)4](OH)0.5(H2O)0.83} x [Zn(OH)2(H2O)4]0.02","","- C8 H4 O11.08 Zn3.02 -","- C8 H4 O11.0833 Zn3.02333 -","- C192 H96 O266 Zn72.56 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.1633","0.071","","","0.1443","0.184","","","","","","1.013","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112914","20.483","0.001","20.483","0.001","20.483","0.001","90","","90","","90","","8593.7","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Zn3(O)[C4H4O(COO)4](H2O)0.5","","- C8 H4 O10.5 Zn3 -","- C8 H4 O10.5 Zn3.02333 -","- C192 H96 O252 Zn72.56 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.1732","0.0766","","","0.1662","0.2086","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112915","20.713","0.001","20.713","0.001","20.713","0.001","90","","90","","90","","8886.5","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","{[Zn3(O)0.12[C4H4O(COO)4](OH)1.76(H2O)1.33} x [Zn(OH)2(H2O)4]0.06 x (~2.5H2O)","","- C8 H4 O15.06 Zn3.01 -","- C8 H4 O15.0467 Zn3.01217 -","- C192 H96 O361.12 Zn72.292 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.1268","0.0595","","","0.1352","0.1636","","","","","","1.034","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112916","19.7763","0.0016","17.0482","0.0014","8.2902","0.0007","90","","110.11","0.001","90","","2624.6","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H20 B Br2 F2 N3 -","- C32 H20 B Br2 F2 N3 -","- C128 H80 B4 Br8 F8 N12 -","4","1","","Aoife Gorman; John Killoran; Caroline O'Shea; Tony Kenna; William M. Gallagher; Donal F. O'Shea","In Vitro Demonstration of the Heavy-Atom Effect for Photodynamic Therapy","Journal of the American Chemical Society","2004","126","","10619","10631","10.1021/ja047649e","","","0.71073","MoKα","","0.0281","0.0266","","","0.0632","0.0639","","","","","","1.062","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112917","11.0558","0.0015","28.104","0.004","11.1187","0.0015","90","","106.96","0.002","90","","3304.5","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","03277","","","- C24 H52 Si4 Th -","- C24 H52 Si4 Th -","- C96 H208 Si16 Th4 -","4","1","","Christin N. Carlson; Timothy P. Hanusa; William W. Brennessel","Metal Allyl Complexes with Bulky Ligands: Stabilization of Homoleptic Thorium Compounds, [(SiMe3)nC3H5-n]4Th (n= 1, 2)","Journal of the American Chemical Society","2004","126","","10550","10551","10.1021/ja047770l","","","0.71073","MoKα","","0.0339","0.0257","","","0.0537","0.0562","","","","","","1.053","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112918","41.77","0.006","12.227","0.002","20.379","0.003","90","","98.543","0.002","90","","10293","3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","03242","","","- C36 H84 Si8 Th -","- C36 H84 Si8 Th -","- C288 H672 Si64 Th8 -","8","1","","Christin N. Carlson; Timothy P. Hanusa; William W. Brennessel","Metal Allyl Complexes with Bulky Ligands: Stabilization of Homoleptic Thorium Compounds, [(SiMe3)nC3H5-n]4Th (n= 1, 2)","Journal of the American Chemical Society","2004","126","","10550","10551","10.1021/ja047770l","","","0.71073","MoKα","","0.0673","0.0412","","","0.0896","0.1","","","","","","1.034","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112919","31.853","0.0003","31.853","0.0003","8.438","0.0002","90","","90","","90","","8561.3","0.2","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C22 H36 U -","- C22 H36 U -","- C352 H576 U16 -","16","1","","Eyal Barnea; Tamer Andrea; Moshe Kapon; Jean-Claude Berthet; Michel Ephritikhine; Moris S. Eisen","Catalytic Coupling of Terminal Alkynes with Isonitriles Promoted by Organoactinide Complexes","Journal of the American Chemical Society","2004","126","","10860","10861","10.1021/ja046604a","","","0.71073","MoKα","","0.0514","0.0288","","","0.0546","0.0575","","","","","","0.909","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112920","8.6475","0.0005","11.3708","0.0007","22.7506","0.0014","102.309","0.001","93.762","0.001","96.21","0.001","2163.7","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H40 F12 N8 O P2 Ru -","- C39 H40 F12 N8 O P2 Ru -","- C78 H80 F24 N16 O2 P4 Ru2 -","2","1","","Ruifa Zong; Randolph P. Thummel","2,9-Di-(2'-pyridyl)-1,10-phenanthroline: A Tetradentate Ligand for Ru(II)","Journal of the American Chemical Society","2004","126","","10800","10801","10.1021/ja047410y","","","0.71073","MoKα","","0.0559","0.0398","","","0.0996","0.1116","","","","","","1.071","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112921","8.9301","","9.493","0.001","9.7181","0.0001","71.094","0.008","82.632","0.0003","73.364","0.0004","746.2","0.09","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H13 N O3 Ru Si -","- C12 H13 N O3 Ru Si -","- C24 H26 N2 O6 Ru2 Si2 -","2","1","","Kenichiro Itami; Koichi Mitsudo; Kazuyoshi Fujita; Youichi Ohashi; Jun-ichi Yoshida","Catalytic Intermolecular Pauson-Khand-Type Reaction: Strong Directing Effect of Pyridylsilyl and Pyrimidylsilyl Groups and Isolation of Ru Complexes Relevant to Catalytic Reaction","Journal of the American Chemical Society","2004","126","","11058","11066","10.1021/ja047484+","","","0.7107","MoKα","","","0.059","","","","0.066","","","","","","2.255","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112922","8.616","0.002","10.869","0.003","15.068","0.004","102.086","0.009","94.544","0.011","111.186","0.011","1267.8","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 N O Ru2 -","- C27 H35 N O Ru2 -","- C54 H70 N2 O2 Ru4 -","2","1","","Shin Takemoto; Tomoharu Kobayashi; Hiroyuki Matsuzaka","Reactivity of Amido Ligands on a Dinuclear Ru(II) Center: Formation of Imido Complexes and C-N Coupling Reaction with Alkyne","Journal of the American Chemical Society","2004","126","","10802","10803","10.1021/ja047920s","","","0.71075","MoKα","","0.137","0.0599","","","0.1086","0.1295","","","","","","0.925","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112923","16.2289","0.0014","12.5086","0.0013","17.0085","0.0011","90","","90","","90","","3452.7","0.5","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C40 H45 N Ru2 -","- C39 H44 N2 Ru2 -","- C156 H176 N8 Ru8 -","4","0.5","","Shin Takemoto; Tomoharu Kobayashi; Hiroyuki Matsuzaka","Reactivity of Amido Ligands on a Dinuclear Ru(II) Center: Formation of Imido Complexes and C-N Coupling Reaction with Alkyne","Journal of the American Chemical Society","2004","126","","10802","10803","10.1021/ja047920s","","","0.71075","MoKα","","0.0885","0.0436","","","0.0878","0.1015","","","","","","0.999","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112924","10.4556","0.0007","20.399","0.003","14.379","0.0014","90","","104.395","0.005","90","","2970.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 N2 Ru2 -","- C31 H35 N2 Ru2 -","- C124 H140 N8 Ru8 -","4","1","","Shin Takemoto; Tomoharu Kobayashi; Hiroyuki Matsuzaka","Reactivity of Amido Ligands on a Dinuclear Ru(II) Center: Formation of Imido Complexes and C-N Coupling Reaction with Alkyne","Journal of the American Chemical Society","2004","126","","10802","10803","10.1021/ja047920s","","","0.71075","MoKα","","0.0769","0.0485","","","0.1142","0.1241","","","","","","1.052","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112925","8.621","0.003","11.041","0.004","15.143","0.006","103.82","0.03","89.08","0.03","113.05","0.03","1283.1","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H37 N Ru2 -","- C27 H37 N Ru2 -","- C54 H74 N2 Ru4 -","2","1","","Shin Takemoto; Tomoharu Kobayashi; Hiroyuki Matsuzaka","Reactivity of Amido Ligands on a Dinuclear Ru(II) Center: Formation of Imido Complexes and C-N Coupling Reaction with Alkyne","Journal of the American Chemical Society","2004","126","","10802","10803","10.1021/ja047920s","","","0.71075","MoKα","","0.1062","0.0552","","","0.1077","0.1222","","","","","","0.996","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112926","20.17","0.001","14.898","0.001","23.905","0.001","90","","92.44","0.01","90","","7176.8","0.7","198","2","198","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C35 H27 B Cl2 F10 N2 Si Zr -","- C35 H27 B Cl2 F10 N2 Si Zr -","- C280 H216 B8 Cl16 F80 N16 Si8 Zr8 -","8","1","","Michael Hill; Gerhard Erker; Gerald Kehr; Roland Fröhlich; Olga Kataeva","Exploring CH-Activation Pathways in Bifunctional Zirconocene/Borane Systems","Journal of the American Chemical Society","2004","126","","11046","11057","10.1021/ja048447l","","","0.71073","MoKα","","0.0911","0.0424","","","0.0917","0.1087","","","","","","1.011","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112927","9.766","0.001","10.662","0.001","18.675","0.001","104.46","0.01","96.15","0.01","109.47","0.01","1736.2","0.3","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H31 B F10 Si Zr -","- C40 H31 B F10 Si Zr -","- C80 H62 B2 F20 Si2 Zr2 -","2","1","","Michael Hill; Gerhard Erker; Gerald Kehr; Roland Fröhlich; Olga Kataeva","Exploring CH-Activation Pathways in Bifunctional Zirconocene/Borane Systems","Journal of the American Chemical Society","2004","126","","11046","11057","10.1021/ja048447l","","","0.71073","MoKα","","0.0437","0.0351","","","0.0863","0.0908","","","","","","1.061","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112928","14.3226","0.0019","22.814","0.003","21.159","0.003","90","","104.85","0.014","90","","6682.9","1.6","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H64 Cl6 Fe Ni2 P4 -","- C67 H64 Cl6 Fe Ni2 P4 -","- C268 H256 Cl24 Fe4 Ni8 P16 -","4","1","","Jean-Cyrille Hierso; Aziz Fihri; Vladimir V. Ivanov; Bernard Hanquet; Nadine Pirio; Bruno Donnadieu; Bertrand Rebière; Régine Amardeil; Philippe Meunier","""Through-Space"" Nuclear Spin-Spin JPP Coupling in Tetraphosphine Ferrocenyl Derivatives: A 31P NMR and X-ray Structure Correlation Study for Coordination Complexes","Journal of the American Chemical Society","2004","126","","11077","11087","10.1021/ja048907a","","","0.71073","MoKα","","0.2044","0.0783","","","0.1718","0.2386","","","","","","0.823","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112929","12.1064","0.0002","40.2368","0.0007","14.5029","0.0003","90","","93.32","0.001","90","","7052.8","0.2","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H65 Br2 Cl9 Fe Ni P4 -","- C69 H65 Br2 Cl9 Fe Ni P4 -","- C276 H260 Br8 Cl36 Fe4 Ni4 P16 -","4","1","","Jean-Cyrille Hierso; Aziz Fihri; Vladimir V. Ivanov; Bernard Hanquet; Nadine Pirio; Bruno Donnadieu; Bertrand Rebière; Régine Amardeil; Philippe Meunier","""Through-Space"" Nuclear Spin-Spin JPP Coupling in Tetraphosphine Ferrocenyl Derivatives: A 31P NMR and X-ray Structure Correlation Study for Coordination Complexes","Journal of the American Chemical Society","2004","126","","11077","11087","10.1021/ja048907a","","","0.71073","MoKα","","0.1668","0.0691","","","0.1278","0.1583","","","","","","1.014","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112930","7.7217","0.0008","11.3593","0.0011","15.5075","0.0015","98.959","0.002","97.956","0.002","104.367","0.002","1279.1","0.2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H16 Fe4 N8 O8 S6 -","- C8 H16 Fe4 N8 O8 S6 -","- C16 H32 Fe8 N16 O16 S12 -","2","1","","Chao-Yi Chiang; Matthew L. Miller; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Bismercaptoethanediazacyclooctane as a N2S2 Chelating Agent and Cys-X-Cys Mimic for Fe(NO) and Fe(NO)2","Journal of the American Chemical Society","2004","126","","10867","10874","10.1021/ja049627y","","","0.71073","MoKα","","0.0437","0.0408","","","0.108","0.1114","","","","","","1.08","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112931","7.665","0.006","23.861","0.018","7.803","0.006","90","","112.869","0.014","90","","1314.9","1.8","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Fe N3 O S2 -","- C10 H20 Fe N3 O S2 -","- C40 H80 Fe4 N12 O4 S8 -","4","1","","Chao-Yi Chiang; Matthew L. Miller; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Bismercaptoethanediazacyclooctane as a N2S2 Chelating Agent and Cys-X-Cys Mimic for Fe(NO) and Fe(NO)2","Journal of the American Chemical Society","2004","126","","10867","10874","10.1021/ja049627y","","","0.71073","MoKα","","0.096","0.0717","","","0.1702","0.182","","","","","","1.06","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112932","16.448","0.01","12.384","0.008","28.996","0.017","90","","90","","90","","5906","6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H21 Fe N4 O2 S2 -","- C10 H21 Fe N4 O2 S2 -","- C160 H336 Fe16 N64 O32 S32 -","16","2","","Chao-Yi Chiang; Matthew L. Miller; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Bismercaptoethanediazacyclooctane as a N2S2 Chelating Agent and Cys-X-Cys Mimic for Fe(NO) and Fe(NO)2","Journal of the American Chemical Society","2004","126","","10867","10874","10.1021/ja049627y","","","0.71073","MoKα","","0.1546","0.0581","","","0.1219","0.1481","","","","","","0.868","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112933","8.5445","0.0008","22.09","0.002","26.409","0.003","85.199","0.003","84.017","0.003","89.845","0.003","4940","0.9","112","2","112","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H37 N O3 S Si -","- C25 H37 N O3 S Si -","- C200 H296 N8 O24 S8 Si8 -","8","4","","P. Andrew Evans; Erich W. Baum","Diastereoselective Intramolecular Temporary Silicon-Tethered Rhodium-Catalyzed [4+2+2] Cycloisomerization Reactions: Regiospecific Incorporation of Substituted 1,3-Butadienes","Journal of the American Chemical Society","2004","126","","11150","11151","10.1021/ja046030+","","","0.71073","MoKα","","0.101","0.0511","","","0.0925","0.1074","","","","","","0.691","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112934","19.1175","0.0017","8.4638","0.0007","17.2327","0.0015","90","","116.296","0.002","90","","2499.8","0.4","115","2","115","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 N O3 S Si -","- C25 H37 N O3 S Si -","- C100 H148 N4 O12 S4 Si4 -","4","1","","P. Andrew Evans; Erich W. Baum","Diastereoselective Intramolecular Temporary Silicon-Tethered Rhodium-Catalyzed [4+2+2] Cycloisomerization Reactions: Regiospecific Incorporation of Substituted 1,3-Butadienes","Journal of the American Chemical Society","2004","126","","11150","11151","10.1021/ja046030+","","","0.71073","MoKα","","0.0784","0.0425","","","0.0763","0.086","","","","","","0.819","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112935","25.4245","0.001","9.5083","0.0004","25.4884","0.001","90","","98.36","0.001","90","","6096.2","0.4","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C13 H16 N2 O4 Pt S -","- C13 H16 N2 O4 Pt S -","- C208 H256 N32 O64 Pt16 S16 -","16","2","","Andrei N. Vedernikov; James C. Fettinger; Fabian Mohr","Synthesis and Reactivity of Dimethyl Platinum(IV) Hydrides in Water","Journal of the American Chemical Society","2004","126","","11160","11161","10.1021/ja046310p","","","0.71073","MoKα","","0.0335","0.0263","","","0.0602","0.063","","","","","","1.096","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112936","10.7681","0.0013","8.8122","0.0011","20.104","0.002","90","","104.914","0.002","90","","1843.4","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17.55 Cl2.11 N2 O3 Pt S -","- C14 H17.56 Cl2.11 N2 O3 Pt S -","- C56 H70.24 Cl8.44 N8 O12 Pt4 S4 -","4","1","","Andrei N. Vedernikov; James C. Fettinger; Fabian Mohr","Synthesis and Reactivity of Dimethyl Platinum(IV) Hydrides in Water","Journal of the American Chemical Society","2004","126","","11160","11161","10.1021/ja046310p","","","0.71073","MoKα","","0.051","0.0411","","","0.1066","0.1121","","","","","","1.074","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112937","15.5738","0.0005","17.2429","0.0008","18.2439","0.0008","90","","90.816","0.002","90","","4898.7","0.4","100","2","100","2","","","","","","","chemical synthesis","2","P 1 21/c 1","-P 2ybc","14","","9,10,11,20,21,22-Hexaphenyltetrabenzo[a,c,l,n]pentacene","","- C74 H46 -","- C74 H46 -","- C296 H184 -","4","1","","Jun Lu; Douglas M. Ho; Nancy J. Vogelaar; Christina M. Kraml; Robert A. Pascal","A Pentacene with a 144° Twist","Journal of the American Chemical Society","2004","126","","11168","11169","10.1021/ja046576w","","","0.97791","Synchrotron","","0.0683","0.0635","","0.1937","","0.1847","","","1.056","","","1.075","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112938","7.161","0.002","28.055","0.006","7.651","0.002","90","","110.3","0.1","90","","1441.6","1.1","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Mn N12 O6 -","- C30 H26 Mn N12 O6 -","- C60 H52 Mn2 N24 O12 -","2","0.5","","Danuta Dobrzyńska; Lucjan B. Jerzykiewicz","Adenine Ribbon with Watson-Crick and Hoogsteen Motifs as the ""Double-Sided Adhesive Tape"" in the Supramolecular Structure of Adenine and Metal Carboxylate","Journal of the American Chemical Society","2004","126","","11118","11119","10.1021/ja0470113","","","0.71073","MoKα","","0.0728","0.0454","","","0.131","0.1528","","","","","","1.107","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112939","13.7244","0.001","12.8123","0.0009","21.4443","0.0014","90","","105.997","0.001","90","","3624.8","0.4","193","2","193","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","Mo(OC[Ad]Mes)4","","","- C84 H110 Mo O5 -","- C84 H110 Mo O5 -","- C168 H220 Mo2 O10 -","2","0.5","","Han Sen Soo; Joshua S. Figueroa; Christopher C. Cummins","A Homoleptic Molybdenum(IV) Enolate Complex: Synthesis, Molecular and Electronic Structure, and NCN Group Transfer To Form a Terminal Cyanoimide of Molybdenum(VI)","Journal of the American Chemical Society","2004","126","","11370","11376","10.1021/ja0472533","","","0.71073","MoKα","","0.066","0.0584","","","0.1463","0.1503","","","","","","1.056","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112940","13.7807","0.0011","22.8234","0.0017","26.558","0.002","90","","101.402","0.002","90","","8188.2","1.1","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(tBuNC)Mo(OC[Ad]Mes)4","","","- C93 H129 Mo N O6 -","- C93 H129 Mo N O6 -","- C372 H516 Mo4 N4 O24 -","4","1","","Han Sen Soo; Joshua S. Figueroa; Christopher C. Cummins","A Homoleptic Molybdenum(IV) Enolate Complex: Synthesis, Molecular and Electronic Structure, and NCN Group Transfer To Form a Terminal Cyanoimide of Molybdenum(VI)","Journal of the American Chemical Society","2004","126","","11370","11376","10.1021/ja0472533","","","0.71073","MoKα","","0.176","0.0862","","","0.1781","0.2065","","","","","","0.964","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112941","34.554","0.004","20.891","0.002","24.73","0.003","90","","99.32","0.002","90","","17616","3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(NCN)Mo(OC[Ad]Mes)4","","","- C87 H100 Mo N2 O5.5 -","- C87 H100 Mo N2 O5.5 -","- C696 H800 Mo8 N16 O44 -","8","1","","Han Sen Soo; Joshua S. Figueroa; Christopher C. Cummins","A Homoleptic Molybdenum(IV) Enolate Complex: Synthesis, Molecular and Electronic Structure, and NCN Group Transfer To Form a Terminal Cyanoimide of Molybdenum(VI)","Journal of the American Chemical Society","2004","126","","11370","11376","10.1021/ja0472533","","","0.71073","MoKα","","0.0818","0.0572","","","0.1577","0.1669","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112942","9.4445","0.0016","9.4856","0.0016","12.352","0.002","86.959","0.003","85.645","0.003","89.977","0.003","1101.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H43 N O4 -","- C20 H43 N O4 -","- C40 H86 N2 O8 -","2","1","","Bradley A. Steinhoff; Ilia A. Guzei; Shannon S. Stahl","Mechanistic Characterization of Aerobic Alcohol Oxidation Catalyzed by Pd(OAc)2/Pyridine Including Identification of the Catalyst Resting State and the Origin of Nonlinear [Catalyst] Dependence","Journal of the American Chemical Society","2004","126","","11268","11278","10.1021/ja049962m","","","0.71073","MoKα","","0.0564","0.0498","","","0.1149","0.1175","","","","","","1.164","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112943","10.928","0.002","9.2369","0.0018","11.087","0.002","90","","109.07","0.003","90","","1057.7","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 N2 O4 Pd -","- C24 H20 N2 O4 Pd -","- C48 H40 N4 O8 Pd2 -","2","1","","Bradley A. Steinhoff; Ilia A. Guzei; Shannon S. Stahl","Mechanistic Characterization of Aerobic Alcohol Oxidation Catalyzed by Pd(OAc)2/Pyridine Including Identification of the Catalyst Resting State and the Origin of Nonlinear [Catalyst] Dependence","Journal of the American Chemical Society","2004","126","","11268","11278","10.1021/ja049962m","","","0.71073","MoKα","","0.0468","0.0423","","","0.1017","0.1042","","","","","","1.052","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112944","9.0518","0.0007","12.5611","0.0007","29.0084","0.0015","90","","90","","90","","3298.3","0.4","173","","173","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 Br4 Cd2 N3 O4 -","- C27 H27 Br4 Cd2 N3 O4 -","- C108 H108 Br16 Cd8 N12 O16 -","4","1","","Michael Seitz; Anja Kaiser; Sabine Stempfhuber; Manfred Zabel; Oliver Reiser","Helical, Nonracemic Inorganic-Organic Hybrid Polymers of Cadmium Halides with Pentadentate Bis(oxazoline) Ligands","Journal of the American Chemical Society","2004","126","","11426","11427","10.1021/ja0469784","","","0.71073","MoKα","","0.0588","0.0344","","","0.0634","0.0684","","","","","","0.82","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112945","8.665","0.0009","12.219","0.0008","29.13","0.003","90","","95.297","0.012","90","","3071","0.5","173","","173","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C27 H27 Cd2 Cl4 N3 O4 -","- C27 H27 Cd2 Cl4 N3 O4 -","- C108 H108 Cd8 Cl16 N12 O16 -","4","2","","Michael Seitz; Anja Kaiser; Sabine Stempfhuber; Manfred Zabel; Oliver Reiser","Helical, Nonracemic Inorganic-Organic Hybrid Polymers of Cadmium Halides with Pentadentate Bis(oxazoline) Ligands","Journal of the American Chemical Society","2004","126","","11426","11427","10.1021/ja0469784","","","0.71073","MoKα","","0.056","0.0313","","","0.0575","0.062","","","","","","0.826","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112946","16.107","0.0007","15.2446","0.0006","16.2557","0.0007","90","","118.082","0.001","90","","3521.6","0.3","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H118 Fe Mg4 N8 Na4 -","- C58 H118 Fe Mg4 N8 Na4 -","- C116 H236 Fe2 Mg8 N16 Na8 -","2","0.5","","Prokopis C. Andrikopoulos; David R. Armstrong; William Clegg; Carly J. Gilfillan; Eva Hevia; Alan R. Kennedy; Robert E. Mulvey; Charles T. O'Hara; John A. Parkinson; Duncan M. Tooke","A Homologous Series of Regioselectively Tetradeprotonated Group 8 Metallocenes: New Inverse Crown Ring Compounds Synthesized via a Mixed Sodium-Magnesium Tris(diisopropylamide) Synergic Base","Journal of the American Chemical Society","2004","126","","11612","11620","10.1021/ja0472230","","","0.71073","MoKα","","0.0502","0.0357","","","0.1043","0.1127","","","","","","1.248","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112947","16.1677","0.0005","15.1615","0.0006","16.1872","0.0006","90","","117.288","0.002","90","","3526.3","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H118 Mg4 N8 Na4 Ru -","- C58 H118 Mg4 N8 Na4 Ru -","- C116 H236 Mg8 N16 Na8 Ru2 -","2","0.5","","Prokopis C. Andrikopoulos; David R. Armstrong; William Clegg; Carly J. Gilfillan; Eva Hevia; Alan R. Kennedy; Robert E. Mulvey; Charles T. O'Hara; John A. Parkinson; Duncan M. Tooke","A Homologous Series of Regioselectively Tetradeprotonated Group 8 Metallocenes: New Inverse Crown Ring Compounds Synthesized via a Mixed Sodium-Magnesium Tris(diisopropylamide) Synergic Base","Journal of the American Chemical Society","2004","126","","11612","11620","10.1021/ja0472230","","","0.71073","MoKα","","0.1136","0.0529","","","0.0941","0.1103","","","","","","1.019","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112948","16.1472","0.0002","15.1476","0.0002","16.1729","0.0002","90","","117.255","0.001","90","","3516.57","0.08","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H118 Mg4 N8 Na4 Os -","- C58 H118 Mg4 N8 Na4 Os -","- C116 H236 Mg8 N16 Na8 Os2 -","2","0.5","","Prokopis C. Andrikopoulos; David R. Armstrong; William Clegg; Carly J. Gilfillan; Eva Hevia; Alan R. Kennedy; Robert E. Mulvey; Charles T. O'Hara; John A. Parkinson; Duncan M. Tooke","A Homologous Series of Regioselectively Tetradeprotonated Group 8 Metallocenes: New Inverse Crown Ring Compounds Synthesized via a Mixed Sodium-Magnesium Tris(diisopropylamide) Synergic Base","Journal of the American Chemical Society","2004","126","","11612","11620","10.1021/ja0472230","","","0.71073","MoKα","","0.0278","0.0203","","","0.0482","0.0502","","","","","","1.043","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112949","18.6299","0.0007","18.6299","0.0007","14.3535","0.001","90","","90","","90","","4981.7","0.4","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C64 H144 N4 O40 P W12 -","- C64 H144 N4 O40 P W12 -","- C128 H288 N8 O80 P2 W24 -","2","0.25","","Wenlin Huang; Louis Todaro; Glenn P. A. Yap; Robert Beer; Lynn C. Francesconi; Tatyana Polenova","51V Magic Angle Spinning NMR Spectroscopy of Keggin Anions [PVnW12-nO40](3+n)-: Effect of Countercation and Vanadium Substitution on Fine Structure Constants","Journal of the American Chemical Society","2004","126","","11564","11573","10.1021/ja0475499","","","0.71073","MoKα","","0.0493","0.0429","","","0.115","0.1192","","","","","","1.067","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112950","19.057","0.003","19.057","0.003","12.505","0.003","90","","90","","120","","3933","1.3","295","2","295","2","","","","","","","","7","P 32","P 32","145","","","","- C2 H20 K2 O52 P V2 W10 -","- C K2 O53 P W10.041 -","- C3 K6 O159 P3 W30.123 -","3","1","","Wenlin Huang; Louis Todaro; Glenn P. A. Yap; Robert Beer; Lynn C. Francesconi; Tatyana Polenova","51V Magic Angle Spinning NMR Spectroscopy of Keggin Anions [PVnW12-nO40](3+n)-: Effect of Countercation and Vanadium Substitution on Fine Structure Constants","Journal of the American Chemical Society","2004","126","","11564","11573","10.1021/ja0475499","","","0.71073","MoKα","","0.0609","0.0478","","","0.1049","0.1118","","","","","","1.02","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112951","17.588","0.003","17.588","0.003","17.588","0.003","90","","90","","90","","5440.6","1.6","150","2","150","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C64 H144 N4 O40 V W12 -","- C69.12 H154.56 N4.08 O40 V W12 -","- C138.24 H309.12 N8.16 O80 V2 W24 -","2","0.0416667","","Wenlin Huang; Louis Todaro; Glenn P. A. Yap; Robert Beer; Lynn C. Francesconi; Tatyana Polenova","51V Magic Angle Spinning NMR Spectroscopy of Keggin Anions [PVnW12-nO40](3+n)-: Effect of Countercation and Vanadium Substitution on Fine Structure Constants","Journal of the American Chemical Society","2004","126","","11564","11573","10.1021/ja0475499","","","0.71073","MoKα","","0.0406","0.0344","","","0.0987","0.1069","","","","","","1.047","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112952","13.37556","0.00024","13.37556","","13.37556","","90","","90","","90","","2392.96","0.04","","","","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C30 Cr N6 O24 Ru6 -","- C30 Cr N6 O24 Ru6 -","- C60 Cr2 N12 O48 Ru12 -","2","0.0208333","","Thomas E. Vos; Yi Liao; William W. Shum; Jae-Hyuk Her; Peter W. Stephens; William M. Reiff; Joel S. Miller","Diruthenium Tetraacetate Monocation, [RuII/III2(O2CMe)4]+, Building Blocks for 3-D Molecule-Based Magnets","Journal of the American Chemical Society","2004","126","","11630","11639","10.1021/ja048135i","powder diffraction","x-ray","0.699471","","","","","","","","","0.05805","","2.06","","","","","","","has coordinates,has Fobs","178900","2020-10-21","18:00:00",""
"4112953","22.6378","0.0002","18.6415","0.0002","37.3315","0.0005","90","","102.007","0.001","90","","15409.3","0.3","115","2","115","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C142.5 H194 Cl F3 N8 O24 S13 -","- C142.5 H188 Cl F3 N8 O24 S13 -","- C570 H752 Cl4 F12 N32 O96 S52 -","4","1","","Clément Bonnot; Jean-Claude Chambron; Enrique Espinosa","Simultaneous Freezing of Chirality and In-Out Conformation of a Macropentacyclic Cryptand by Protonation","Journal of the American Chemical Society","2004","126","","11412","11413","10.1021/ja048441w","","","0.71069","MoKα","","0.2095","0.0807","","","0.1808","0.2312","","","","","","0.953","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112954","11.8502","0.0016","12.4174","0.0018","13.1985","0.0018","90","","94.424","0.008","90","","1936.4","0.5","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Fe2 N3 O5 P S2 -","- C14 H18 Fe2 N3 O5 P S2 -","- C56 H72 Fe8 N12 O20 P4 S8 -","4","1","","Rosario Mejia-Rodriguez; Daesung Chong; Joseph H. Reibenspies; Manuel P. Soriaga; Marcetta Y. Darensbourg","The Hydrophilic Phosphatriazaadamantane Ligand in the Development of H2 Production Electrocatalysts: Iron Hydrogenase Model Complexes","Journal of the American Chemical Society","2004","126","","12004","12014","10.1021/ja039394v","","","1.54178","CuKα","","0.1258","0.0657","","","0.1346","0.1542","","","","","","0.907","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112955","12.8193","0.001","24.0187","0.0019","8.433","0.0007","90","","105.569","0.001","90","","2501.3","0.3","383","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 Fe2 N6 O4 P2 S2 -","- C19 H30 Fe2 N6 O4 P2 S2 -","- C76 H120 Fe8 N24 O16 P8 S8 -","4","1","","Rosario Mejia-Rodriguez; Daesung Chong; Joseph H. Reibenspies; Manuel P. Soriaga; Marcetta Y. Darensbourg","The Hydrophilic Phosphatriazaadamantane Ligand in the Development of H2 Production Electrocatalysts: Iron Hydrogenase Model Complexes","Journal of the American Chemical Society","2004","126","","12004","12014","10.1021/ja039394v","","","0.71073","MoKα","","0.071","0.0555","","","0.1303","0.1444","","","","","","1.099","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112956","9.8578","0.0002","8.8632","0.0002","19.536","0.002","90","","90.691","0.003","90","","1706.77","0.18","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H16 O3 S -","- C20 H16 O3 S -","- C80 H64 O12 S4 -","4","1","","Kenichiro Itami; Masahiro Mineno; Nobuhiro Muraoka; Jun-ichi Yoshida","Sequential Assembly Strategy for Tetrasubstituted Olefin Synthesis Using Vinyl 2-Pyrimidyl Sulfide as a Platform","Journal of the American Chemical Society","2004","126","","11778","11779","10.1021/ja045858t","","","0.7107","MoKα","","","0.115","","","","0.131","","","","","","2.593","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112957","9.8506","0.0019","11.529","0.002","11.5728","0.0015","85.452","0.004","76.899","0.003","86.067","0.003","1274.3","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H66 N2 O4 P2 Pt -","- C56 H66 N2 O4 P2 Pt -","- C56 H66 N2 O4 P2 Pt -","1","0.5","","Simon C. Jones; Veaceslav Coropceanu; Stephen Barlow; Tiffany Kinnibrugh; Tatiana Timofeeva; Jean-Luc Brédas; Seth R. Marder","Delocalization in Platinum-Alkynyl Systems: A Metal-Bridged Organic Mixed-Valence Compound","Journal of the American Chemical Society","2004","126","","11782","11783","10.1021/ja045869m","","","0.71073","MoKα","","0.0578","0.051","","","0.1102","0.1129","","","","","","0.945","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112958","10.832","0.003","11.866","0.003","11.588","0.003","90","","106.96","0.02","90","","1424.7","0.7","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H22 O4 S2 -","- C34 H24 O4 S2 -","- C68 H48 O8 S4 -","2","1","","Eiko Ichikawa; Masato Suzuki; Kazuo Yabu; Matthias Albert; Motomu Kanai; Masakatsu Shibasaki","New Entries in Lewis Acid-Lewis Base Bifunctional Asymmetric Catalyst: Catalytic Enantioselective Reissert Reaction of Pyridine Derivatives","Journal of the American Chemical Society","2004","126","","11808","11809","10.1021/ja045966f","","","0.7107","MoKα","","","0.035","","","","0.074","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112959","10.393","0.001","10.421","0.001","24.059","0.002","80.009","0.003","78.037","0.006","67.813","0.001","2347.3","0.4","273.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H86 Ni2 O2 P2 -","- C48 Ni2 O2 P2 -","- C96 Ni4 O4 P4 -","2","1","","Sensuke Ogoshi; Masa-aki Oka; Hideo Kurosawa","Direct Observation of Oxidative Cyclization of η2-Alkene and η2-Aldehyde on Ni(0) Center. Significant Acceleration by Addition of Me3SiOTf","Journal of the American Chemical Society","2004","126","","11802","11803","10.1021/ja0460716","","","0.7107","MoKα","","","0.109","","","","0.218","","","","","","4.932","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112960","11.2613","0.0008","11.348","0.001","12.122","0.001","98.863","0.002","95.684","0.003","95.96","0.004","1511.9","0.2","273.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H98 Ni2 O2 P2 -","- C68 H98 Ni2 O2 P2 -","- C68 H98 Ni2 O2 P2 -","1","0.5","","Sensuke Ogoshi; Masa-aki Oka; Hideo Kurosawa","Direct Observation of Oxidative Cyclization of η2-Alkene and η2-Aldehyde on Ni(0) Center. Significant Acceleration by Addition of Me3SiOTf","Journal of the American Chemical Society","2004","126","","11802","11803","10.1021/ja0460716","","","0.7107","MoKα","","","0.057","","","","0.122","","","","","","0.288","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112961","11.2785","0.0004","23.2551","0.0009","14.0961","0.0005","90","","100.417","0.0009","90","","3636.2","0.2","273.1","","","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C32 H52 F3 Ni O4 P S Si -","- C32 H52 F3 Ni O4 P S Si -","- C128 H208 F12 Ni4 O16 P4 S4 Si4 -","4","1","","Sensuke Ogoshi; Masa-aki Oka; Hideo Kurosawa","Direct Observation of Oxidative Cyclization of η2-Alkene and η2-Aldehyde on Ni(0) Center. Significant Acceleration by Addition of Me3SiOTf","Journal of the American Chemical Society","2004","126","","11802","11803","10.1021/ja0460716","","","0.7107","MoKα","","","0.0665","","","","0.137","","","","","","3.898","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112962","13.8413","0.0008","17.639","0.001","13.8433","0.0008","90","","88.445","0.002","90","","3378.6","0.3","273.1","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H52 F3 Ni O4 P S Si -","- C27 H52 F3 Ni O4 P S Si -","- C108 H208 F12 Ni4 O16 P4 S4 Si4 -","4","1","","Sensuke Ogoshi; Masa-aki Oka; Hideo Kurosawa","Direct Observation of Oxidative Cyclization of η2-Alkene and η2-Aldehyde on Ni(0) Center. Significant Acceleration by Addition of Me3SiOTf","Journal of the American Chemical Society","2004","126","","11802","11803","10.1021/ja0460716","","","0.7107","MoKα","","","0.0771","","","","0.0999","","","","","","2.536","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112963","8.5511","0.0009","11.618","0.0013","14.657","0.002","90","","90.712","0.006","90","","1456","0.3","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H54 Al2 O2 -","- C26 H54 Al2 O2 -","- C52 H108 Al4 O4 -","2","0.5","","Mark R. Mason; Bingxu Song; Kristin Kirschbaum","Remarkable Room-Temperature Insertion of Carbon Monoxide into an Aluminum-Carbon Bond of Tri-tert-butylaluminum","Journal of the American Chemical Society","2004","126","","11812","11813","10.1021/ja046411n","","","0.71073","MoKα","","0.0695","0.0612","","","0.1156","0.1186","","","","","","1.322","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112964","13.917","0.006","14.869","0.006","17.83","0.008","111.866","0.012","90.764","0.009","103.946","0.01","3301","2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C74 H100 Sn2 -","- C74 H100 Sn2 -","- C148 H200 Sn4 -","2","1","","Lise Baiget; Henri Ranaivonjatovo; Jean Escudié; Heinz Gornitzka","A Stable Distannirane","Journal of the American Chemical Society","2004","126","","11792","11793","10.1021/ja0464239","","","0.71073","MoKα","","0.1202","0.0679","","","0.1438","0.1651","","","","","","1.022","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112965","11.763","0.002","13.693","0.002","14.138","0.002","67.256","0.003","72.859","0.003","70.282","0.003","1941.3","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H54 Cl F Sn -","- C44 H54 Cl F Sn -","- C88 H108 Cl2 F2 Sn2 -","2","1","","Lise Baiget; Henri Ranaivonjatovo; Jean Escudié; Heinz Gornitzka","A Stable Distannirane","Journal of the American Chemical Society","2004","126","","11792","11793","10.1021/ja0464239","","","0.71073","MoKα","","0.0639","0.0465","","","0.1126","0.1228","","","","","","1.006","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112966","15.784","0.004","16.137","0.004","16.38","0.004","64.733","0.007","70.887","0.007","76.725","0.007","3545.2","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H40 Mo3 P2 S22 -","- C57 H40 Mo3 P2 S22 -","- C114 H80 Mo6 P4 S44 -","2","1","","Rosa Llusar; Santiago Uriel; Cristian Vicent; Juan M. Clemente-Juan; Eugenio Coronado; Carlos J. Gómez-García; Benoit Braïda; Enric Canadell","Single-Component Magnetic Conductors Based on Mo3S7 Trinuclear Clusters with Outer Dithiolate Ligands","Journal of the American Chemical Society","2004","126","","12076","12083","10.1021/ja0474244","","","0.71073","MoKα","","0.1356","0.0641","","","0.1555","0.1935","","","","","","1.03","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112967","16.135","0.006","24.632","0.008","17.983","0.007","90","","109.177","0.007","90","","6751","4","233","2","233","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H73 Cl Mo3 N2 S22 -","- C41.5 H72 Cl Mo3 N2 S22 -","- C166 H288 Cl4 Mo12 N8 S88 -","4","1","","Rosa Llusar; Santiago Uriel; Cristian Vicent; Juan M. Clemente-Juan; Eugenio Coronado; Carlos J. Gómez-García; Benoit Braïda; Enric Canadell","Single-Component Magnetic Conductors Based on Mo3S7 Trinuclear Clusters with Outer Dithiolate Ligands","Journal of the American Chemical Society","2004","126","","12076","12083","10.1021/ja0474244","","","0.71073","MoKα","","0.1328","0.0619","","","0.1318","0.1604","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112968","19.439","0.003","19.439","0.003","6.5573","0.0019","90","","90","","120","","2145.9","0.8","233","2","476","2","","","","","","","","3","P -3","-P 3","147","","","","- C9 Mo3 S22 -","- C9 Mo3 S22 -","- C18 Mo6 S44 -","2","0.333333","","Rosa Llusar; Santiago Uriel; Cristian Vicent; Juan M. Clemente-Juan; Eugenio Coronado; Carlos J. Gómez-García; Benoit Braïda; Enric Canadell","Single-Component Magnetic Conductors Based on Mo3S7 Trinuclear Clusters with Outer Dithiolate Ligands","Journal of the American Chemical Society","2004","126","","12076","12083","10.1021/ja0474244","","","0.71073","MoKα","","0.1189","0.0824","","","0.2412","0.2688","","","","","","1.092","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112969","27.12","0.003","12.5509","0.0012","25.193","0.003","90","","118.94","0.001","90","","7504.4","1.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- K6 P5 S20 Yb3 -","- K6 P5 S20 Yb3 -","- K48 P40 S160 Yb24 -","8","1","","Jennifer A. Aitken; Mercouri G. Kanatzidis","Interwoven Pair of Open Frameworks in the Thiosphosphate K6Yb3(PS4)5","Journal of the American Chemical Society","2004","126","","11780","11781","10.1021/ja0474648","","","0.71073","MoKα","","0.1381","0.0676","","","0.1666","0.1894","","","","","","1.067","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112970","12.113","0.008","8.758","0.007","19.98","0.02","90","","97.51","0.04","90","","2101","3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","{Me2NN]Ni(CH2CH3)","","","- C23 H30 N2 Ni -","- C23 H30 N2 Ni -","- C92 H120 N8 Ni4 -","4","1","","Elzbieta Kogut; Alexander Zeller; Timothy H. Warren; Thomas Strassner","Structure and Dynamics of Neutral β-H Agostic Nickel Alkyls: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","11984","11994","10.1021/ja0477221","","","0.71073","MoKα","","0.1029","0.0496","","","0.1138","0.1273","","","","","","0.947","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112971","13.7","0.008","12.566","0.006","14.086","0.008","90","","116.2","0.014","90","","2176","2","","","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","{Me2NN]Ni(C3H7)","","","- C24 H32 N2 Ni -","- C24 H32 N2 Ni -","- C96 H128 N8 Ni4 -","4","1","","Elzbieta Kogut; Alexander Zeller; Timothy H. Warren; Thomas Strassner","Structure and Dynamics of Neutral β-H Agostic Nickel Alkyls: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","11984","11994","10.1021/ja0477221","","","0.71073","MoKα","","0.1057","0.0429","","","0.0885","0.0962","","","","","","0.808","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112972","9.695","0.001","26.7","0.003","8.864","0.001","90","","90","","90","","2294.5","0.4","173","","173","","","","","","","","?","6","P c c n","-P 2ab 2ac","56","","","","- C10 H12 Fe O4 P Zn0.5 -","- C10 H12 Fe O4 P Zn0.5 -","- C80 H96 Fe8 O32 P8 Zn4 -","8","1","","Olivier Oms; Jean Le Bideau; Fabrice Leroux; Arie van der Lee; Dominique Leclercq; André Vioux","Mixed 1D-2D Inorganic Polymeric Zinc Ferrocenylphosphonate: Crystal Structure and Electrochemical Study","Journal of the American Chemical Society","2004","126","","12090","12096","10.1021/ja049457p","","","0.71073","MoKα","","0.1969","0.0385","","0.0625","0.0419","0.0419","","","","","","1.1356","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112973","28.9132","0.0007","7.8898","0.0002","9.5349","0.0002","90","","90","","90","","2175.1","0.09","100","","100","","","","","","","","see paper","4","P n a 21","P 2c -2n","33","","","","- C28 H31 Nd O -","- C28 H31 Nd O -","- C112 H124 Nd4 O4 -","4","1","","Evgueni Kirillov; Christian W. Lehmann; Abbas Razavi; Jean-François Carpentier","Highly Syndiospecific Polymerization of Styrene Catalyzed by Allyl Lanthanide Complexes","Journal of the American Chemical Society","2004","126","","12240","12241","10.1021/ja0455695","","","0.71073","MoKα","","0.0779","0.0503","","","0.1074","0.1362","","","","","","1.144","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112974","7.4661","0.0012","11.4751","0.0017","28.238","0.004","90","","90","","90","","2419.3","0.6","115","2","115","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 N3 -","- C30 H37 N3 -","- C120 H148 N12 -","4","1","","Steven A. Raw; Richard J. K. Taylor","Cascade Reactions of Substituted 1,2,4-Triazines: Rapid Access to Nitrogen-Containing Polycycles","Journal of the American Chemical Society","2004","126","","12260","12261","10.1021/ja045780g","","","0.71073","MoKα","","0.051","0.0351","","","0.0745","0.0807","","","","","","1","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112975","10.1626","0.0009","21.9774","0.0019","34.178","0.003","90","","90","","90","","7633.6","1.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-1-tert-Butyldiphenylsilyloxy-3-(3'-methyl-3'H-imidazol-4'-yl)- 2-(2"",4"",6""-triisopropylbenzenesulfonylamino)propane","","- C38 H53 N3 O3 S Si -","- C38 H53 N3 O3 S Si -","- C304 H424 N24 O24 S8 Si8 -","8","2","","Kazuaki Ishihara; Yuji Kosugi; Matsujiro Akakura","Rational Design of anl-Histidine-Derived Minimal Artificial Acylase for the Kinetic Resolution of Racemic Alcohols","Journal of the American Chemical Society","2004","126","","12212","12213","10.1021/ja045850j","","","0.71073","MoKα","","0.0878","0.0627","","","0.1565","0.1716","","","","","","1.079","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112976","12.8098","0.0007","28.259","0.002","19.154","0.001","90","","103.45","0.001","90","","6743.4","0.7","100","1","100","1","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H65 B F24 N2 O2 Pd -","- C66 H65 B F24 N2 O2 Pd -","- C264 H260 B4 F96 N8 O8 Pd4 -","4","1","","Weidong Li; Xiaochun Zhang; Auke Meetsma; Bart Hessen","Palladium-Catalyzed Copolymerization of Ethene with Acrolein Dimethyl Acetal: Catalyst Action and Deactivation","Journal of the American Chemical Society","2004","126","","12246","12247","10.1021/ja045948y","","","0.71073","MoKα","","0.1071","0.0726","","","0.1866","0.2107","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112977","21.9494","0.0009","12.8691","0.0005","25.207","0.001","90","","115.522","0.001","90","","6425.4","0.4","100","1","100","1","","","","","","","see text","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H59 B F24 N2 O Pd -","- C64 H59 B F24 N2 O Pd -","- C256 H236 B4 F96 N8 O4 Pd4 -","4","0.5","","Weidong Li; Xiaochun Zhang; Auke Meetsma; Bart Hessen","Palladium-Catalyzed Copolymerization of Ethene with Acrolein Dimethyl Acetal: Catalyst Action and Deactivation","Journal of the American Chemical Society","2004","126","","12246","12247","10.1021/ja045948y","","","0.71073","MoKα","","0.0822","0.0675","","","0.1757","0.1874","","","","","","1.036","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112978","12.6191","0.0005","14.6417","0.0006","18.3813","0.0008","108.59","0.001","95.619","0.001","94.228","0.001","3183.7","0.2","100","1","100","1","","","","","","","see text","6","P -1","-P 1","2","","","","- C65.5 H63 B F24 N2 Pd -","- C63 H57 B F24 N2 Pd -","- C126 H114 B2 F48 N4 Pd2 -","2","1","","Weidong Li; Xiaochun Zhang; Auke Meetsma; Bart Hessen","Palladium-Catalyzed Copolymerization of Ethene with Acrolein Dimethyl Acetal: Catalyst Action and Deactivation","Journal of the American Chemical Society","2004","126","","12246","12247","10.1021/ja045948y","","","0.71073","MoKα","","0.0682","0.0554","","","0.155","0.1609","","","","","","1.101","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112979","12.5293","0.0008","15.592","0.001","18.468","0.001","77.686","0.001","70.452","0.001","82.915","0.001","3316.4","0.4","100","1","100","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C66 H65 B F24 N2 O Pd -","- C66 H65 B F24.03 N2 O Pd -","- C132 H130 B2 F48.06 N4 O2 Pd2 -","2","1","","Weidong Li; Xiaochun Zhang; Auke Meetsma; Bart Hessen","Palladium-Catalyzed Copolymerization of Ethene with Acrolein Dimethyl Acetal: Catalyst Action and Deactivation","Journal of the American Chemical Society","2004","126","","12246","12247","10.1021/ja045948y","","","0.71073","MoKα","","0.1599","0.0786","","","0.2001","0.2318","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112980","23.374","0.002","19.273","0.002","25.05","0.002","90","","90","","90","","11284.7","1.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54.5 H82.5 Cl1.5 F N9 O7 -","- C52 H78 F N9 O6 -","- C416 H624 F8 N72 O48 -","8","1","","Sung Ok Kang; David VanderVelde; Douglas Powell; Kristin Bowman-James","Fluoride-Facilitated Deuterium Exchange from DMSO-d6 to Polyamide-Based Cryptands","Journal of the American Chemical Society","2004","126","","12272","12273","10.1021/ja046078n","","","0.71073","MoKα","","0.0644","0.0533","","","0.1468","0.1543","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112981","18.37","0.03","16.2","0.02","25.17","0.04","90","","113.52","0.09","90","","6868","18","123.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H15 Cl7 Cu2 F30 N6 O1.62 -","- C68 H15 Cl7 Cu2 F30 N6 O1.62 -","- C272 H60 Cl28 Cu8 F120 N24 O6.48 -","4","0.5","","Soji Shimizu; Venkataramanarao G. Anand; Ryuichiro Taniguchi; Ko Furukawa; Tatsuhisa Kato; Toshihiko Yokoyama; Atsuhiro Osuka","Biscopper Complexes of meso-Aryl-Substituted Hexaphyrin: Gable Structures and Varying Antiferromagnetic Coupling","Journal of the American Chemical Society","2004","126","","12280","12281","10.1021/ja046102x","","","0.7107","MoKα","","","0.095","","","","0.135","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112982","13.979","0.003","15.646","0.003","15.932","0.004","78.753","0.004","73.062","0.004","74.027","0.004","3179.6","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H12 Cl2 Cu2 F30 N6 O4 -","- C67 H12 Cl2 Cu2 F30 N6 O4 -","- C134 H24 Cl4 Cu4 F60 N12 O8 -","2","1","","Soji Shimizu; Venkataramanarao G. Anand; Ryuichiro Taniguchi; Ko Furukawa; Tatsuhisa Kato; Toshihiko Yokoyama; Atsuhiro Osuka","Biscopper Complexes of meso-Aryl-Substituted Hexaphyrin: Gable Structures and Varying Antiferromagnetic Coupling","Journal of the American Chemical Society","2004","126","","12280","12281","10.1021/ja046102x","","","0.71069","MoKα","","0.2275","0.1043","","","0.2147","0.2652","","","","","","1.097","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112983","22.598","0.01","13.063","0.005","25.05","0.011","90","","109.73","0.03","90","","6961","5","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 Cl6 Cu2 F42 N6 O -","- C69 Cl6 Cu2 F42 N6 O -","- C276 Cl24 Cu8 F168 N24 O4 -","4","1","","Soji Shimizu; Venkataramanarao G. Anand; Ryuichiro Taniguchi; Ko Furukawa; Tatsuhisa Kato; Toshihiko Yokoyama; Atsuhiro Osuka","Biscopper Complexes of meso-Aryl-Substituted Hexaphyrin: Gable Structures and Varying Antiferromagnetic Coupling","Journal of the American Chemical Society","2004","126","","12280","12281","10.1021/ja046102x","","","0.71075","MoKα","","0.1132","0.0921","","","0.2885","0.3097","","","","","","1.269","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112984","13.964","0.006","16.264","0.007","16.295","0.008","86.66","0.04","74.89","0.04","84.63","0.04","3555","3","123.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C69 H3 Cl5 Cu2 F42 N6 O3 -","- C69 H3 Cl5 Cu2 F42 N6 O3 -","- C138 H6 Cl10 Cu4 F84 N12 O6 -","2","1","","Soji Shimizu; Venkataramanarao G. Anand; Ryuichiro Taniguchi; Ko Furukawa; Tatsuhisa Kato; Toshihiko Yokoyama; Atsuhiro Osuka","Biscopper Complexes of meso-Aryl-Substituted Hexaphyrin: Gable Structures and Varying Antiferromagnetic Coupling","Journal of the American Chemical Society","2004","126","","12280","12281","10.1021/ja046102x","","","0.7107","MoKα","","","0.065","","","","0.076","","","","","","1.34","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112985","9.961","0.004","8.022","0.003","12.274","0.005","90","","106.993","0.006","90","","938","0.6","250","0.2","250","0.2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","diphenyl ether","diphenyl ether","","- C12 H10 O -","- C12 H10 O -","- C48 H40 O4 -","4","1","","Angshuman R. Choudhury; Kabirul Islam; Michael T. Kirchner; Goverdhan Mehta; Tayur N. Guru Row","In Situ Cryocrystallization of Diphenyl Ether: C-H...π Mediated Polymorphic Forms","Journal of the American Chemical Society","2004","126","","12274","12275","10.1021/ja046134k","","","0.71073","MoKα","","0.0677","0.0538","","","0.1164","0.1229","","","","","","1.171","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112986","5.7405","0.0018","7.694","0.002","21.165","0.006","90","","90","","90","","934.8","0.5","240","0.2","240","0.2","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","Diphenyl ether","Diphenyl ether","","- C12 H10 O -","- C12 H10 O -","- C48 H40 O4 -","4","1","","Angshuman R. Choudhury; Kabirul Islam; Michael T. Kirchner; Goverdhan Mehta; Tayur N. Guru Row","In Situ Cryocrystallization of Diphenyl Ether: C-H...π Mediated Polymorphic Forms","Journal of the American Chemical Society","2004","126","","12274","12275","10.1021/ja046134k","","","0.71073","MoKα","","0.0356","0.0318","","","0.077","0.0793","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112987","4.3898","0.0018","5.694","0.002","9.023","0.004","105.192","0.006","93.81","0.006","111.102","0.006","199.79","0.14","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- B6 Cr H16 -","- B6 Cr H16 -","- B6 Cr H16 -","1","0.5","","Dean M. Goedde; Gregory S. Girolami","A New Class of CVD Precursors to Metal Borides: Cr(B3H8)2 and Related Octahydrotriborate Complexes","Journal of the American Chemical Society","2004","126","","12230","12231","10.1021/ja046906c","","","0.71073","MoKα","","0.0638","0.0514","","","0.1139","0.1198","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112988","9.2238","0.0016","8.7248","0.0015","11.0292","0.0019","90","","102.597","0.003","90","","866.2","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H32 B6 Cr O2 -","- C8 H32 B6 Cr O2 -","- C16 H64 B12 Cr2 O4 -","2","0.5","","Dean M. Goedde; Gregory S. Girolami","A New Class of CVD Precursors to Metal Borides: Cr(B3H8)2 and Related Octahydrotriborate Complexes","Journal of the American Chemical Society","2004","126","","12230","12231","10.1021/ja046906c","","","0.71073","MoKα","","0.0588","0.0421","","","0.1163","0.1254","","","","","","1.072","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112989","16.404","0.003","13.744","0.003","16.728","0.003","90","","90","","90","","3771.4","1.3","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H34 B6 Cr P2 -","- C6 H34 B6 Cr P2 -","- C48 H272 B48 Cr8 P16 -","8","1","","Dean M. Goedde; Gregory S. Girolami","A New Class of CVD Precursors to Metal Borides: Cr(B3H8)2 and Related Octahydrotriborate Complexes","Journal of the American Chemical Society","2004","126","","12230","12231","10.1021/ja046906c","","","0.71073","MoKα","","0.0735","0.0349","","","0.074","0.0842","","","","","","0.936","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112990","7.0764","0.0017","16.985","0.004","7.985","0.002","90","","110.589","0.004","90","","898.4","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H36 B6 Cr O2 -","- C8 H36 B6 Cr O2 -","- C16 H72 B12 Cr2 O4 -","2","0.5","","Dean M. Goedde; Gregory S. Girolami","A New Class of CVD Precursors to Metal Borides: Cr(B3H8)2 and Related Octahydrotriborate Complexes","Journal of the American Chemical Society","2004","126","","12230","12231","10.1021/ja046906c","","","0.71073","MoKα","","0.0871","0.0401","","","0.0733","0.0841","","","","","","0.924","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112991","11.106","0.001","14.117","0.001","13.274","0.001","90","","98.934","0.003","90","","2055.9","0.3","90","1","90","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cis-Pt(propylene)Cl2PPh3","cis-PtCl2(PPh3)(C3H6)","","- C21 H21 Cl2 P Pt -","- C21 H21 Cl2 P Pt -","- C84 H84 Cl8 P4 Pt4 -","4","1","","Ruslan Pryadun; Dinesh Sukumaran; Robert Bogadi; Jim D. Atwood","Amine Attack on Coordinated Alkenes: An Interconversion from Anti-Markovnikoff to Markovnikoff Products","Journal of the American Chemical Society","2004","126","","12414","12420","10.1021/ja0469939","","","0.71073","MoKα","","0.028","0.022","","","0.0507","0.0529","","","","","","1.031","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112992","8.8157","0.0004","9.5186","0.0004","14.6356","0.0006","90.426","0.001","106.265","0.001","102.784","0.001","1146.58","0.09","90","1","90","1","","","","","","","","5","P -1","-P 1","2","cis-PtCl2(PPh3)(C6H12)","cis-PtCl2(PPh3)(C6H12)","","- C24 H27 Cl2 P Pt -","- C24 H27 Cl2 P Pt -","- C48 H54 Cl4 P2 Pt2 -","2","1","","Ruslan Pryadun; Dinesh Sukumaran; Robert Bogadi; Jim D. Atwood","Amine Attack on Coordinated Alkenes: An Interconversion from Anti-Markovnikoff to Markovnikoff Products","Journal of the American Chemical Society","2004","126","","12414","12420","10.1021/ja0469939","","","0.71073","MoKα","","0.0338","0.0307","","","0.0712","0.0729","","","","","","1.039","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112993","14.0345","0.0009","15.9137","0.001","17.6318","0.0011","90","","96.2392","0.0045","90","","3914.6","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H65 F14 N7 O7 Si2 -","- C24 H61 F14 N7 O7 Si2 -","- C96 H244 F56 N28 O28 Si8 -","4","1","","Christos A. Ilioudis; Derek A. Tocher; Jonathan W. Steed","A Highly Efficient, Preorganized Macrobicyclic Receptor for Halides Based on CH... and NH...Anion Interactions","Journal of the American Chemical Society","2004","126","","12395","12402","10.1021/ja047070g","","","0.71073","MoKα","","0.1252","0.055","","","0.119","0.1405","","","","","","1.006","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112994","11.4033","0.0012","11.5662","0.0012","21.966","0.002","85.67","0.002","83.181","0.002","61.557","0.002","2528.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H51 I14 N7 -","- C24 H51 I14 N7 -","- C48 H102 I28 N14 -","2","1","","Christos A. Ilioudis; Derek A. Tocher; Jonathan W. Steed","A Highly Efficient, Preorganized Macrobicyclic Receptor for Halides Based on CH... and NH...Anion Interactions","Journal of the American Chemical Society","2004","126","","12395","12402","10.1021/ja047070g","","","0.71073","MoKα","","0.0849","0.0756","","","0.189","0.1956","","","","","","1.083","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112995","11.2494","0.0008","16.2958","0.0012","21.1945","0.0019","78.3122","0.0027","85.1281","0.0032","82.6143","0.004","3766.3","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H120 Cl12 N14 O9 -","- C48 H101 Cl12 N14 O9 -","- C96 H202 Cl24 N28 O18 -","2","1","","Christos A. Ilioudis; Derek A. Tocher; Jonathan W. Steed","A Highly Efficient, Preorganized Macrobicyclic Receptor for Halides Based on CH... and NH...Anion Interactions","Journal of the American Chemical Society","2004","126","","12395","12402","10.1021/ja047070g","","","0.71073","MoKα","","0.2643","0.142","","","0.3129","0.3553","","","","","","1.57","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112996","11.2538","0.0004","18.0137","0.0008","20.9088","0.0008","74.548","0.003","82.221","0.002","73.058","0.003","3900.5","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H116 Br14 N14 O6 -","- C48 H104 Br14 N14 O6 -","- C96 H208 Br28 N28 O12 -","2","1","","Christos A. Ilioudis; Derek A. Tocher; Jonathan W. Steed","A Highly Efficient, Preorganized Macrobicyclic Receptor for Halides Based on CH... and NH...Anion Interactions","Journal of the American Chemical Society","2004","126","","12395","12402","10.1021/ja047070g","","","0.71073","MoKα","","0.219","0.1031","","","0.2198","0.2753","","","","","","1.231","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112997","16.3404","0.0023","16.3404","0.0023","28.0178","0.0027","90","","90","","120","","6478.7","1.4","120","2","120","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C69 H87 Cl6 N7 O12 S6 -","- C69 H81 Cl6 N7 O12 S6 -","- C207 H243 Cl18 N21 O36 S18 -","3","0.333333","","Christos A. Ilioudis; Derek A. Tocher; Jonathan W. Steed","A Highly Efficient, Preorganized Macrobicyclic Receptor for Halides Based on CH... and NH...Anion Interactions","Journal of the American Chemical Society","2004","126","","12395","12402","10.1021/ja047070g","","","0.71073","MoKα","","0.2773","0.2118","","","0.3166","0.3388","","","","","","1.498","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112998","8.974","0.002","12.086","0.002","17.068","0.003","68.88","0.05","80.04","0.05","79.18","0.05","1684.9","0.8","100","2","100","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","mesomorphic phenanthroline derivative","","","- C40 H36 N4 O8 -","- C40 H36 N4 O8 -","- C80 H72 N8 O16 -","2","1","","Raymond Ziessel; Guillaume Pickaert; Franck Camerel; Bertrand Donnio; Daniel Guillon; Michèle Cesario; Thierry Prangé","Tuning Organogels and Mesophases with Phenanthroline Ligands and Their Copper Complexes by Inter- to Intramolecular Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","12403","12413","10.1021/ja047091a","","","0.966","synchrotron","","0.0564","0.0556","","0.1495","","0.1465","","","1.032","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112999","15.89","0.003","16.327","0.003","17.777","0.003","79.5","0.05","72.02","0.05","73.9","0.05","4191","2","450","2","177","2","","","","","","","synthetic","6","P -1","-P 1","2","metallomesogen","","","- C88 H84 Cl Cu N12 O20 -","- C88 H84 Cl Cu N12 O20 -","- C176 H168 Cl2 Cu2 N24 O40 -","2","1","","Raymond Ziessel; Guillaume Pickaert; Franck Camerel; Bertrand Donnio; Daniel Guillon; Michèle Cesario; Thierry Prangé","Tuning Organogels and Mesophases with Phenanthroline Ligands and Their Copper Complexes by Inter- to Intramolecular Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","12403","12413","10.1021/ja047091a","","","0.982","synchrotron","","0.1121","0.0992","","0.2659","","0.2417","","","1.089","","","1.135","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4113000","9.2876","0.0009","19.4342","0.0019","13.2672","0.0014","90","","100.707","0.002","90","","2353","0.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H23 B11 Br6 -","- C9 H23 B11 Br6 -","- C36 H92 B44 Br24 -","4","1","","Tsuyoshi Kato; Evgenii Stoyanov; Jens Geier; Hansjörg Grützmacher; Christopher A. Reed","Alkylating Agents Stronger than Alkyl Triflates","Journal of the American Chemical Society","2004","126","","12451","12457","10.1021/ja047357d","","","0.71073","MoKα","","0.0496","0.0323","","","0.0716","0.0775","","","","","","1.035","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113001","15.099","0.001","15.099","0.001","14.607","0.001","90","","90","","90","","3330.1","0.4","296.2","","","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H44 I N8 O14 Rh4 -","- C16 H40 I N8 O14 Rh4 -","- C64 H160 I4 N32 O56 Rh16 -","4","0.25","","Yasuhiro Fuma; Masahiro Ebihara; Shoichi Kutsumizu; Takashi Kawamura","A Diamondoid Network of Tetrakis(acetamidato)dirhodium in Mixed Oxidation States Linked by μ4-Iodide Having a 105 Enhancement of Its Electrical Conductivity by Water Molecules of Hydration","Journal of the American Chemical Society","2004","126","","12238","12239","10.1021/ja047421r","","","0.7107","MoKα","","","0.0279","","","","0.0547","","","","","","0.586","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113002","13.811","0.002","7.1564","0.0011","15.092","0.002","90","","90","","90","","1491.6","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Jun-Li Hou; Xue-Bin Shao; Guang-Ju Chen; Yan-Xia Zhou; Xi-Kui Jiang; Zhan-Ting Li","Hydrogen Bonded Oligohydrazide Foldamers and Their Recognition for Saccharides","Journal of the American Chemical Society","2004","126","","12386","12394","10.1021/ja047436p","","","0.71073","MoKα","","0.1227","0.0482","","","0.0818","0.0954","","","","","","0.79","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113003","7.5458","0.0007","20.8818","0.0019","15.2117","0.0014","90","","99.233","0.003","90","","2365.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 N4 O7 -","- C25 H24 N4 O7 -","- C100 H96 N16 O28 -","4","1","","Jun-Li Hou; Xue-Bin Shao; Guang-Ju Chen; Yan-Xia Zhou; Xi-Kui Jiang; Zhan-Ting Li","Hydrogen Bonded Oligohydrazide Foldamers and Their Recognition for Saccharides","Journal of the American Chemical Society","2004","126","","12386","12394","10.1021/ja047436p","","","0.71073","MoKα","","0.2459","0.0681","","","0.0905","0.1378","","","","","","0.831","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113004","13.6912","0.0017","14.5859","0.0018","22.778","0.003","90","","98.165","0.002","90","","4502.6","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H58 N4 O12 -","- C44 H58 N4 O12 -","- C176 H232 N16 O48 -","4","1","","Jun-Li Hou; Xue-Bin Shao; Guang-Ju Chen; Yan-Xia Zhou; Xi-Kui Jiang; Zhan-Ting Li","Hydrogen Bonded Oligohydrazide Foldamers and Their Recognition for Saccharides","Journal of the American Chemical Society","2004","126","","12386","12394","10.1021/ja047436p","","","0.71073","MoKα","","0.2541","0.0676","","","0.1673","0.21","","","","","","0.707","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113005","39.105","0.008","5.615","0.001","16.609","0.003","90","","97.007","0.005","90","","3619.7","1.2","120","","120","","","","","","","","","3","C 1 2 1","C 2y","5","","Methyl-3,6-anhydro-2,4-di-O-benzyl-α-D-glucopyranoside","","- C21 H24 O5 -","- C21 H24 O5 -","- C168 H192 O40 -","8","2","","Ciaran McDonnell; Oscar López; Paul Murphy; José G. Fernández Bolaños; Rita Hazell; Mikael Bols","Conformational Effects on Glycoside Reactivity: Study of the High Reactive Conformer of Glucose","Journal of the American Chemical Society","2004","126","","12374","12385","10.1021/ja047476t","","","0.71073","MoKα","","","0.035","","","","0.036","","","","","","0.92","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113006","13.295","0.002","5.6635","0.0008","14.117","0.002","90","","99.446","0.005","90","","1048.5","0.3","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","Pent-4'-enyl-3,6-anhydro-2,4-di-O-benzyl-β-D-glucopyranoside","","- C25 H30 O5 -","- C25 H30 O5 -","- C50 H60 O10 -","2","1","","Ciaran McDonnell; Oscar López; Paul Murphy; José G. Fernández Bolaños; Rita Hazell; Mikael Bols","Conformational Effects on Glycoside Reactivity: Study of the High Reactive Conformer of Glucose","Journal of the American Chemical Society","2004","126","","12374","12385","10.1021/ja047476t","","","0.71073","MoKα","","","0.044","","","","0.041","","","","","","0.89","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113007","10.168","0.003","8.673","0.003","23.85","0.007","90","","100.382","0.005","90","","2068.8","1.1","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl-O-(3,6-anhydro-2,4-di-O-benzyl-β-D-glucopyranoside)-(1-6)-2,3,4-tri -O-benzyl-α-D-glucopyranoside","","- C48 H52 O10 -","- C48 H52 O10 -","- C96 H104 O20 -","2","1","","Ciaran McDonnell; Oscar López; Paul Murphy; José G. Fernández Bolaños; Rita Hazell; Mikael Bols","Conformational Effects on Glycoside Reactivity: Study of the High Reactive Conformer of Glucose","Journal of the American Chemical Society","2004","126","","12374","12385","10.1021/ja047476t","","","0.71073","MoKα","","","0.066","","","","0.068","","","","","","0.99","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113008","10.3733","0.0011","26.427","0.003","5.8341","0.0006","90","","90","","90","","1599.3","0.3","294","2","294","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H16 N2 -","- C21 H16 N2 -","- C84 H64 N8 -","4","1","","Jye-Shane Yang; Kang-Ling Liau; Chin-Min Wang; Chung-Yu Hwang","Substituent-Dependent Photoinduced Intramolecular Charge Transfer in N-Aryl-Substituted trans-4-Aminostilbenes","Journal of the American Chemical Society","2004","126","","12325","12335","10.1021/ja047604d","","","0.71073","MoKα","","0.1056","0.0442","","","0.0732","0.0856","","","","","","0.9","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113009","9.6247","0.0007","9.7637","0.0007","18.7912","0.0014","85.592","0.001","81.797","0.001","74.061","0.001","1679.3","0.2","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","2","","Jye-Shane Yang; Kang-Ling Liau; Chin-Min Wang; Chung-Yu Hwang","Substituent-Dependent Photoinduced Intramolecular Charge Transfer in N-Aryl-Substituted trans-4-Aminostilbenes","Journal of the American Chemical Society","2004","126","","12325","12335","10.1021/ja047604d","","","0.71073","MoKα","","0.201","0.1328","","","0.2251","0.2533","","","","","","1.22","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113010","38.704","0.004","7.4399","0.0008","5.9673","0.0006","90","","92.97","0.002","90","","1716","0.3","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H19 N O2 -","- C22.008 H19 N O2 -","- C88.032 H76 N4 O8 -","4","1","","Jye-Shane Yang; Kang-Ling Liau; Chin-Min Wang; Chung-Yu Hwang","Substituent-Dependent Photoinduced Intramolecular Charge Transfer in N-Aryl-Substituted trans-4-Aminostilbenes","Journal of the American Chemical Society","2004","126","","12325","12335","10.1021/ja047604d","","","0.71073","MoKα","","0.0511","0.0396","","","0.1094","0.1269","","","","","","1.08","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113011","12.0307","0.0007","12.9556","0.0007","13.9502","0.0008","90","","90","","90","","2174.3","0.2","156.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Cl2 N2 O2 Rh -","- C20 H29 Cl2 N2 O2 Rh -","- C80 H116 Cl8 N8 O8 Rh4 -","4","1","","Jennifer R. Krumper; Michael Gerisch; Alessandra Magistrato; Ursula Rothlisberger; Robert G. Bergman; T. Don Tilley","Unusual Ar-H/Rh-H JHH NMR Coupling in Complexes of Rhodium(III): Experimental Evidence and Theoretical Support for an η1-Arene Structure","Journal of the American Chemical Society","2004","126","","12492","12502","10.1021/ja047665b","","","0.7107","MoKα","","","0.0204","","","","0.0219","","","","","","0.795","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113012","9.0724","0.0007","12.273","0.001","9.8953","0.0008","90","","95.35","0.001","90","","1097","0.15","131.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H29 Cl2 N2 O2 Rh -","- C20 H28 Cl2 N2 O2 Rh -","- C40 H56 Cl4 N4 O4 Rh2 -","2","1","","Jennifer R. Krumper; Michael Gerisch; Alessandra Magistrato; Ursula Rothlisberger; Robert G. Bergman; T. Don Tilley","Unusual Ar-H/Rh-H JHH NMR Coupling in Complexes of Rhodium(III): Experimental Evidence and Theoretical Support for an η1-Arene Structure","Journal of the American Chemical Society","2004","126","","12492","12502","10.1021/ja047665b","","","0.7107","MoKα","","","0.0376","","","","0.044","","","","","","1.303","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113013","20.69","0.003","8.419","0.001","16.06","0.002","90","","106.887","0.002","90","","2676.8","0.6","146.2","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H41 Cl2 N2 O2 Rh -","- C25.5 H37 Cl2 N2 O2 Rh -","- C102 H148 Cl8 N8 O8 Rh4 -","4","1","","Jennifer R. Krumper; Michael Gerisch; Alessandra Magistrato; Ursula Rothlisberger; Robert G. Bergman; T. Don Tilley","Unusual Ar-H/Rh-H JHH NMR Coupling in Complexes of Rhodium(III): Experimental Evidence and Theoretical Support for an η1-Arene Structure","Journal of the American Chemical Society","2004","126","","12492","12502","10.1021/ja047665b","","","0.7107","MoKα","","","0","","","","0.03","","","","","","0.891","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113014","11.931","0.003","11.152","0.002","12.3422","0.0013","90","","90","","90","","1642.2","0.5","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Cl2 -","- C20 H24 Cl2 -","- C80 H96 Cl8 -","4","0.5","","Aswini K. Dash; Tryg R. Jensen; Charlotte L. Stern; Tobin J. Marks","Frustrated β-Chloride Elimination. Selective Arene Alkylation by α-Chloronorbornene Catalyzed by Electrophilic Metallocenium Ion Pairs","Journal of the American Chemical Society","2004","126","","12528","12540","10.1021/ja047828w","","","0.71073","MoKα","","0.0438","0.0381","","","0.1071","0.1134","","","","","","1.061","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113015","17.53","0.03","17.53","0.03","8.28","0.01","90","","90","","90","","2544","7","107.1","","","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C20 H32 Br3 N2 O4 Sc -","- C20 H26 Br3 N2 O4 Sc -","- C80 H104 Br12 N8 O16 Sc4 -","4","0.5","","Shunpei Ishikawa; Tomoaki Hamada; Kei Manabe; Shū Kobayashi","Catalytic Asymmetric Hydroxymethylation of Silicon Enolates Using an Aqueous Solution of Formaldehyde with a Chiral Scandium Complex","Journal of the American Chemical Society","2004","126","","12236","12237","10.1021/ja047896i","","","0.7107","MoKα","","","0.036","","","","0.103","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113016","15.195","0.003","12.41","0.003","12.884","0.003","90","","90","","90","","2429.5","0.9","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H18 N4 O6 -","- C30 H18 N4 O6 -","- C120 H72 N16 O24 -","4","0.5","","Xin Zhang; Zi-Chen Li; Kai-Bo Li; Fu-Sheng Du; Fu-Mian Li","Multi-Maleimides Bearing Electron-Donating Chromophores: Reversible Fluorescence and Aggregation Behavior","Journal of the American Chemical Society","2004","126","","12200","12201","10.1021/ja0487527","","","0.71073","MoKα","","0.0944","0.0372","","","0.0494","0.0531","","","","","","0.937","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113017","9.7993","0.0002","11.1782","0.0002","11.544","0.0003","65.8541","0.0009","66.0412","0.0009","84.3268","0.0009","1051.02","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H17 N3 O4 -","- C26 H17 N3 O4 -","- C52 H34 N6 O8 -","2","1","","Xin Zhang; Zi-Chen Li; Kai-Bo Li; Fu-Sheng Du; Fu-Mian Li","Multi-Maleimides Bearing Electron-Donating Chromophores: Reversible Fluorescence and Aggregation Behavior","Journal of the American Chemical Society","2004","126","","12200","12201","10.1021/ja0487527","","","0.71073","MoKα","","0.0879","0.0418","","","0.1","0.1111","","","","","","0.985","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113018","9.9786","0.0005","11.2659","0.0006","11.726","0.0007","66.493","0.004","64.985","0.003","85.724","0.003","1088.38","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N3 O4 -","- C26 H21 N3 O4 -","- C52 H42 N6 O8 -","2","1","","Xin Zhang; Zi-Chen Li; Kai-Bo Li; Fu-Sheng Du; Fu-Mian Li","Multi-Maleimides Bearing Electron-Donating Chromophores: Reversible Fluorescence and Aggregation Behavior","Journal of the American Chemical Society","2004","126","","12200","12201","10.1021/ja0487527","","","0.71073","MoKα","","0.1816","0.0759","","","0.1691","0.2149","","","","","","0.871","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113019","14.892","0.003","12.445","0.003","13.425","0.003","90","","90","","90","","2488.1","1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H24 N4 O6 -","- C30 H24 N4 O6 -","- C120 H96 N16 O24 -","4","0.5","","Xin Zhang; Zi-Chen Li; Kai-Bo Li; Fu-Sheng Du; Fu-Mian Li","Multi-Maleimides Bearing Electron-Donating Chromophores: Reversible Fluorescence and Aggregation Behavior","Journal of the American Chemical Society","2004","126","","12200","12201","10.1021/ja0487527","","","0.71073","MoKα","","0.0858","0.0371","","","0.074","0.0798","","","","","","0.808","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113020","13.0374","0.0006","17.7859","0.0008","21.103","0.001","90","","93.38","0.001","90","","4884.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Na10 O64 Ru W9 Zn4 -","- Na10 O114.46 Ru1.22 W18.758 Zn4 -","- Na20 O228.92 Ru2.44 W37.516 Zn8 -","2","0.5","","Annette R. Howells; Anand Sankarraj; Curtis Shannon","A Diruthenium-Substituted Polyoxometalate as an Electrocatalyst for Oxygen Generation","Journal of the American Chemical Society","2004","126","","12258","12259","10.1021/ja0495821","","","0.71073","MoKα","","0.0475","0.038","","","0.0893","0.0918","","","","","","1.061","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113021","16.517","0.005","6.0509","0.0016","9.311","0.003","90","","94.738","0.005","90","","927.4","0.5","93","1","93","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 N3 O2 -","- C7 H15 N3 O2 -","- C28 H60 N12 O8 -","4","1","","Joseph E. Saavedra; D. Scott Bohle; Kamilah N. Smith; Clifford George; Jeffrey R. Deschamps; Damon Parrish; Joseph Ivanic; Yan-Ni Wang; Michael L. Citro; Larry K. Keefer","Chemistry of the Diazeniumdiolates. O- versus N-Alkylation of the RNH[N(O)NO]- Ion","Journal of the American Chemical Society","2004","126","","12880","12887","10.1021/ja031538i","","","0.71073","MoKα","","0.0858","0.0425","","","0.094","0.1317","","","","","","0.921","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113022","11.491","0.0003","14.915","0.0007","15.127","0.0008","75.323","0.0016","79.813","0.0014","74.796","0.003","2403.22","0.18","130","2","130","2","","","","","","","","4","P -1","-P 1","2","IJR-I-97","IJR-I-97","","- C57 H73 N2 O2 -","- C57 H73 N2 O2 -","- C114 H146 N4 O4 -","2","1","","Ian J. Rhile; James M. Mayer","One-Electron Oxidation of a Hydrogen-Bonded Phenol Occurs by Concerted Proton-Coupled Electron Transfer","Journal of the American Chemical Society","2004","126","","12718","12719","10.1021/ja031583q","","","0.71073","MoKα","","0.1067","0.0585","","","0.1233","0.1414","","","","","","1.003","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113023","8.5795","0.0012","9.5772","0.0014","13.1432","0.0019","103.121","0.002","108.284","0.002","102.713","0.002","947.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N O6 -","- C19 H23 N O6 -","- C38 H46 N2 O12 -","2","1","","Satyamaheshwar Peddibhotla; Jetze J. Tepe","Stereoselective Synthesis of Highly Substituted Δ1-Pyrrolines: exo-Selective 1,3-Dipolar Cycloaddition Reactions with Azlactones","Journal of the American Chemical Society","2004","126","","12776","12777","10.1021/ja046149i","","","0.71073","MoKα","","0.053","0.043","","","0.1189","0.1276","","","","","","1.05","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113024","6.7048","0.0013","13.522","0.003","19.685","0.004","90","","90","","90","","1784.7","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C84 H72 N8 O16 -","4","1","","Satyamaheshwar Peddibhotla; Jetze J. Tepe","Stereoselective Synthesis of Highly Substituted Δ1-Pyrrolines: exo-Selective 1,3-Dipolar Cycloaddition Reactions with Azlactones","Journal of the American Chemical Society","2004","126","","12776","12777","10.1021/ja046149i","","","0.71073","MoKα","","0.055","0.0383","","","0.1027","0.1149","","","","","","0.833","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4113025","8.9567","0.0018","10.444","0.002","11.475","0.002","99.06","0.03","104.61","0.03","99.54","0.03","1001.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C44 H44 N4 O10 -","2","1","","Satyamaheshwar Peddibhotla; Jetze J. Tepe","Stereoselective Synthesis of Highly Substituted Δ1-Pyrrolines: exo-Selective 1,3-Dipolar Cycloaddition Reactions with Azlactones","Journal of the American Chemical Society","2004","126","","12776","12777","10.1021/ja046149i","","","0.71073","MoKα","","0.0667","0.0422","","","0.1134","0.1264","","","","","","0.823","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113026","12.0473","0.0002","12.7355","0.0004","20.3952","0.0001","76.653","0.008","71.024","0.007","85.812","0.009","2879.21","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H100 P Pd Si6 -","- C49 H93 P Pd Si6 -","- C98 H186 P2 Pd2 Si12 -","2","1","","Mitsuo Kira; Yumiko Sekiguchi; Takeaki Iwamoto; Chizuko Kabuto","14-Electron Disilene Palladium Complex Having Strong π-Complex Character","Journal of the American Chemical Society","2004","126","","12778","12779","10.1021/ja046354y","","","0.7107","MoKα","","0.062","0.0463","","","0.0903","0.0962","","","","","","1.07","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113027","16.051","0.003","10.755","0.002","27.697","0.006","90","","90.38","0.03","90","","4781.2","1.6","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 F18 O6 -","- C54 H24 F18 O6 -","- C216 H96 F72 O24 -","4","1","","Bryan K. Spraul; S. Suresh; Sibylle Glaser; Dvora Perahia; John Ballato; Dennis W. Smith","Perfluorocyclobutyl-Linked Hexa-peri-hexabenzocoronene Networks","Journal of the American Chemical Society","2004","126","","12772","12773","10.1021/ja046855j","","","0.71073","MoKα","","0.1016","0.0758","","","0.2107","0.2374","","","","","","1.019","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113028","12.3741","0.001","48.753","0.004","24.198","0.002","90","","93.262","0.002","90","","14574","2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H62 N12 O15.75 Re4 -","- C75 H62 N12 O15.75 Re4 -","- C600 H496 N96 O126 Re32 -","8","2","","Peter H. Dinolfo; Mary Elizabeth Williams; Charlotte L. Stern; Joseph T. Hupp","Rhenium-Based Molecular Rectangles as Frameworks for Ligand-Centered Mixed Valency and Optical Electron Transfer","Journal of the American Chemical Society","2004","126","","12989","13001","10.1021/ja0473182","","","0.71073","MoKα","","0.1801","0.0783","","","0.1222","0.149","","","","","","0.968","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113029","13.83","0.003","13.299","0.003","19.931","0.005","90","","101.335","0.004","90","","3594.3","1.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H14 Cl N6 O6 Re2 -","- C27.5 H14 Cl N6 O6 Re2 -","- C110 H56 Cl4 N24 O24 Re8 -","4","1","","Peter H. Dinolfo; Mary Elizabeth Williams; Charlotte L. Stern; Joseph T. Hupp","Rhenium-Based Molecular Rectangles as Frameworks for Ligand-Centered Mixed Valency and Optical Electron Transfer","Journal of the American Chemical Society","2004","126","","12989","13001","10.1021/ja0473182","","","0.71073","MoKα","","0.0855","0.0527","","","0.1426","0.1654","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113030","30.8925","0.0011","30.8925","0.0011","26.6992","0.0013","90","","90","","90","","25480.3","1.8","153","2","153","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C64 H32 N20 O12 Re4 -","- C64 H32 N20 O12 Re4 -","- C512 H256 N160 O96 Re32 -","8","0.5","","Peter H. Dinolfo; Mary Elizabeth Williams; Charlotte L. Stern; Joseph T. Hupp","Rhenium-Based Molecular Rectangles as Frameworks for Ligand-Centered Mixed Valency and Optical Electron Transfer","Journal of the American Chemical Society","2004","126","","12989","13001","10.1021/ja0473182","","","0.71069","MoKα","","0.1555","0.0655","","","0.2085","0.2873","","","","","","1.027","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113031","12.401","0.004","11.578","0.003","26.649","0.008","90","","97.184","0.005","90","","3796.2","1.9","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H47 Cl4 N12 O14 Re4 -","- C78 H48 Cl4 N12 O14 Re4 -","- C156 H96 Cl8 N24 O28 Re8 -","2","0.5","","Peter H. Dinolfo; Mary Elizabeth Williams; Charlotte L. Stern; Joseph T. Hupp","Rhenium-Based Molecular Rectangles as Frameworks for Ligand-Centered Mixed Valency and Optical Electron Transfer","Journal of the American Chemical Society","2004","126","","12989","13001","10.1021/ja0473182","","","0.71073","MoKα","","0.0811","0.0496","","","0.1236","0.1451","","","","","","1.065","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113032","10.9266","0.0019","22.014","0.004","29.322","0.005","90","","91.42","0.003","90","","7051","2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C135.5 H36 N16 O20 Re4 -","- C135.57 H36 N16 O20 Re4 -","- C271.14 H72 N32 O40 Re8 -","2","0.5","","Peter H. Dinolfo; Mary Elizabeth Williams; Charlotte L. Stern; Joseph T. Hupp","Rhenium-Based Molecular Rectangles as Frameworks for Ligand-Centered Mixed Valency and Optical Electron Transfer","Journal of the American Chemical Society","2004","126","","12989","13001","10.1021/ja0473182","","","0.71069","MoKα","","0.0884","0.0508","","","0.1376","0.1604","","","","","","1.071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113033","11","0.003","22.681","0.007","19.552","0.006","90","","94.151","0.005","90","","4865","2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H52 N16 O24 Re4 S2 -","- C94.15 H52 N16 O24.15 Re4 S2 -","- C188.3 H104 N32 O48.3 Re8 S4 -","2","0.5","","Peter H. Dinolfo; Mary Elizabeth Williams; Charlotte L. Stern; Joseph T. Hupp","Rhenium-Based Molecular Rectangles as Frameworks for Ligand-Centered Mixed Valency and Optical Electron Transfer","Journal of the American Chemical Society","2004","126","","12989","13001","10.1021/ja0473182","","","0.71073","MoKα","","0.1538","0.064","","","0.1535","0.1795","","","","","","0.875","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113034","9.321","0.002","10.154","0.002","14.304","0.002","71.15","0.03","80.85","0.03","73.12","0.03","1222.8","0.5","253","2","253","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 Cl3 N2 S2 -","- C25 H21 Cl3 N2 S2 -","- C50 H42 Cl6 N4 S4 -","2","1","","Vivian Wing-Wah Yam; Chi-Chiu Ko; Nianyong Zhu","Photochromic and Luminescence Switching Properties of a Versatile Diarylethene-Containing 1,10-Phenanthroline Ligand and Its Rhenium(I) Complex","Journal of the American Chemical Society","2004","126","","12734","12735","10.1021/ja047446q","","","0.71069","MoKα","","0.0568","0.0462","","","0.1406","0.146","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113035","17.061","0.0015","11.299","0.001","8.3845","0.0007","90","","110.078","0.001","90","","1518.1","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H5 Cu N2 -","- C4 H5 Cu N2 -","- C48 H60 Cu12 N24 -","12","1.5","","Xiao-Chun Huang; Jie-Peng Zhang; Xiao-Ming Chen","A New Route to Supramolecular Isomers via Molecular Templating: Nanosized Molecular Polygons of Copper(I) 2-Methylimidazolates","Journal of the American Chemical Society","2004","126","","13218","13219","10.1021/ja045249l","","","0.71073","MoKα","","0.0349","0.0314","","","0.0808","0.0829","","","","","","1.061","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113036","20.76","0.0014","10.8497","0.0007","21.0042","0.0014","90","","90","","90","","4731","0.5","123","2","123","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C39 H48 Cu8 N16 -","- C39 H48 Cu8 N16 -","- C156 H192 Cu32 N64 -","4","0.5","","Xiao-Chun Huang; Jie-Peng Zhang; Xiao-Ming Chen","A New Route to Supramolecular Isomers via Molecular Templating: Nanosized Molecular Polygons of Copper(I) 2-Methylimidazolates","Journal of the American Chemical Society","2004","126","","13218","13219","10.1021/ja045249l","","","0.71073","MoKα","","0.0531","0.0431","","","0.0936","0.0978","","","","","","1.035","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113037","14.4446","0.0011","27.559","0.002","11.9914","0.0009","90","","126.775","0.001","90","","3823.6","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C56 H70 Cu10 N20 -","- C56 H70 Cu10 N20 -","- C112 H140 Cu20 N40 -","2","0.25","","Xiao-Chun Huang; Jie-Peng Zhang; Xiao-Ming Chen","A New Route to Supramolecular Isomers via Molecular Templating: Nanosized Molecular Polygons of Copper(I) 2-Methylimidazolates","Journal of the American Chemical Society","2004","126","","13218","13219","10.1021/ja045249l","","","0.71073","MoKα","","0.102","0.0592","","","0.1596","0.1869","","","","","","0.994","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113038","20.8478","0.0014","10.8591","0.0007","20.9398","0.0014","90","","90","","90","","4740.5","0.5","123","2","123","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C38 H46 Cu8 N16 -","- C38 H46 Cu8 N16 -","- C152 H184 Cu32 N64 -","4","0.5","","Xiao-Chun Huang; Jie-Peng Zhang; Xiao-Ming Chen","A New Route to Supramolecular Isomers via Molecular Templating: Nanosized Molecular Polygons of Copper(I) 2-Methylimidazolates","Journal of the American Chemical Society","2004","126","","13218","13219","10.1021/ja045249l","","","0.71073","MoKα","","0.0377","0.0339","","","0.0796","0.0813","","","","","","1.05","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113039","20.8445","0.0013","10.8978","0.0007","20.9081","0.0013","90","","90","","90","","4749.5","0.5","123","2","123","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C38 H52 Cu8 N16 -","- C38 H52 Cu8 N16 -","- C152 H208 Cu32 N64 -","4","0.5","","Xiao-Chun Huang; Jie-Peng Zhang; Xiao-Ming Chen","A New Route to Supramolecular Isomers via Molecular Templating: Nanosized Molecular Polygons of Copper(I) 2-Methylimidazolates","Journal of the American Chemical Society","2004","126","","13218","13219","10.1021/ja045249l","","","0.71073","MoKα","","0.0304","0.0285","","","0.0797","0.0805","","","","","","1.085","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113040","14.8055","0.0014","27.853","0.003","11.4508","0.0011","90","","126.013","0.002","90","","3819.6","0.7","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C60 H66 Cu10 N20 -","- C60.17 H66.14 Cu10 N20 -","- C120.34 H132.28 Cu20 N40 -","2","0.25","","Xiao-Chun Huang; Jie-Peng Zhang; Xiao-Ming Chen","A New Route to Supramolecular Isomers via Molecular Templating: Nanosized Molecular Polygons of Copper(I) 2-Methylimidazolates","Journal of the American Chemical Society","2004","126","","13218","13219","10.1021/ja045249l","","","0.71073","MoKα","","0.0656","0.0512","","","0.1623","0.173","","","","","","1.08","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113041","10.947","0.003","20.288","0.005","23.757","0.006","105.772","0.004","96.529","0.004","90.526","0.004","5040","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H48 Br0 Cl Cr N2 O4 -","- C50 H48 Cl Cr N2 O4 -","- C200 H192 Cl4 Cr4 N8 O16 -","4","2","","Norito Takenaka; Guoyao Xia; Hisashi Yamamoto","Catalytic, Highly Enantio- and Diastereoselective Pinacol Coupling Reaction with a New Tethered Bis(8-quinolinolato) Ligand","Journal of the American Chemical Society","2004","126","","13198","13199","10.1021/ja045430u","","","0.71073","MoKα","","0.1535","0.0831","","","0.2102","0.2314","","","","","","0.931","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113042","20.723","0.006","15.213","0.004","28.909","0.008","90","","90","","90","","9114","4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H72 O4 P2 Ru2 S2 -","- C43 H72 O4 P2 Ru2 S2 -","- C344 H576 O32 P16 Ru16 S16 -","8","1","","Aaron K. Justice; Rachel C. Linck; Thomas B. Rauchfuss; Scott R. Wilson","Dihydrogen Activation by a Diruthenium Analogue of the Fe-Only Hydrogenase Active Site","Journal of the American Chemical Society","2004","126","","13214","13215","10.1021/ja0455594","","","0.71073","MoKα","","0.0623","0.0324","","","0.0625","0.068","","","","","","0.925","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4113043","15.304","0.004","18.602","0.004","19.048","0.004","75.717","0.004","86.966","0.005","89.78","0.004","5247","2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H88 O3 P2 Ru2 S2 -","- C48 H88 O3 P2 Ru2 S2 -","- C192 H352 O12 P8 Ru8 S8 -","4","2","","Aaron K. Justice; Rachel C. Linck; Thomas B. Rauchfuss; Scott R. Wilson","Dihydrogen Activation by a Diruthenium Analogue of the Fe-Only Hydrogenase Active Site","Journal of the American Chemical Society","2004","126","","13214","13215","10.1021/ja0455594","","","0.71073","MoKα","","0.1727","0.0603","","","0.0998","0.1222","","","","","","0.853","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4113044","14.157","0.007","15.14","0.007","16.707","0.008","70.865","0.016","87.95","0.02","69.166","0.013","3149","3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","BpqSeNO","","","- C72 H83 N O Se -","- C72 H83 N O Se -","- C144 H166 N2 O2 Se2 -","2","1","","Keiichi Shimada; Kei Goto; Takayuki Kawashima; Nozomi Takagi; Yoong-Kee Choe; Shigeru Nagase","Isolation of a Se-Nitrososelenol: A New Class of Reactive Nitrogen Species Relevant to Protein Se-Nitrosation","Journal of the American Chemical Society","2004","126","","13238","13239","10.1021/ja0457009","","","0.7107","MoKα","","0.0721","0.0572","","","0.1433","0.1546","","","","","","1.074","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113045","10.5775","0.0009","10.6288","0.0009","21.2014","0.0018","94.24","0.001","93","0.001","119.206","0.001","2064.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H51 Cl Co N9 O -","- C44 H51 Cl Co N9 O -","- C88 H102 Cl2 Co2 N18 O2 -","2","1","","Xile Hu; Ingrid Castro-Rodriguez; Karsten Meyer","Dioxygen Activation by a Low-Valent Cobalt Complex Employing a Flexible Tripodal N-Heterocyclic Carbene Ligand","Journal of the American Chemical Society","2004","126","","13464","13473","10.1021/ja046048k","","","0.71073","MoKα","","0.0429","0.0367","","","0.0903","0.0939","","","","","","1.033","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113046","10.667","0.002","10.702","0.002","20.707","0.004","87.212","0.003","83.314","0.003","60.477","0.003","2042.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H45 Cl2 Co N7 O S -","- C41 H45 Cl2 Co N7 O S -","- C82 H90 Cl4 Co2 N14 O2 S2 -","2","1","","Xile Hu; Ingrid Castro-Rodriguez; Karsten Meyer","Dioxygen Activation by a Low-Valent Cobalt Complex Employing a Flexible Tripodal N-Heterocyclic Carbene Ligand","Journal of the American Chemical Society","2004","126","","13464","13473","10.1021/ja046048k","","","0.71073","MoKα","","0.0732","0.0618","","","0.1654","0.1724","","","","","","1.071","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113047","23.7912","0.0019","11.5916","0.0009","27.394","0.002","90","","94.84","0.001","90","","7527.7","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C91 H91 B2 Co N9 -","- C91 H91 B2 Co N9 -","- C364 H364 B8 Co4 N36 -","4","1","","Xile Hu; Ingrid Castro-Rodriguez; Karsten Meyer","Dioxygen Activation by a Low-Valent Cobalt Complex Employing a Flexible Tripodal N-Heterocyclic Carbene Ligand","Journal of the American Chemical Society","2004","126","","13464","13473","10.1021/ja046048k","","","0.71073","MoKα","","0.0736","0.0491","","","0.1065","0.1155","","","","","","1.049","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113048","13.6","0.002","14.788","0.003","16.356","0.003","95.254","0.003","109.027","0.003","106.392","0.003","2921.6","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H65 B Co N7 O2 -","- C63 H65 B Co N7 O2 -","- C126 H130 B2 Co2 N14 O4 -","2","1","","Xile Hu; Ingrid Castro-Rodriguez; Karsten Meyer","Dioxygen Activation by a Low-Valent Cobalt Complex Employing a Flexible Tripodal N-Heterocyclic Carbene Ligand","Journal of the American Chemical Society","2004","126","","13464","13473","10.1021/ja046048k","","","0.71073","MoKα","","0.1071","0.065","","","0.1356","0.1483","","","","","","0.953","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113049","11.1582","0.0002","10.6203","0.0002","17.8002","0.0003","90","","90","","90","","2109.38","0.07","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.0684","0.0464","","","0.1001","0.1059","","","","","","1.062","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113050","11.1678","0.0002","10.6508","0.0002","17.8355","0.0003","90","","90","","90","","2121.46","0.07","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.0784","0.047","","","0.096","0.1037","","","","","","1.057","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113051","11.1782","0.0002","10.6868","0.0003","17.8841","0.0003","90","","90","","90","","2136.42","0.08","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.0925","0.0482","","","0.0943","0.1047","","","","","","1.041","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113052","11.1901","0.0002","10.7272","0.0002","17.9468","0.0003","90","","90","","90","","2154.31","0.07","250","2","250","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.1089","0.05","","","0.0959","0.1088","","","","","","1.027","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113053","11.1993","0.0002","10.7714","0.0004","18.0199","0.0003","90","","90","","90","","2173.78","0.1","300","2","300","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.1322","0.0528","","","0.0973","0.1149","","","","","","0.979","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113054","11.2122","0.0003","10.8006","0.0003","18.0743","0.0005","90","","90","","90","","2188.77","0.1","330","2","330","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.1548","0.0539","","","0.0949","0.1177","","","","","","0.942","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113055","6.6426","0.0002","11.3188","0.0004","22.6559","0.001","90","","92.6239","0.0015","90","","1701.63","0.11","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Co3 N2 O12 -","- C14 H12 Co3 N2 O12 -","- C56 H48 Co12 N8 O48 -","4","1","","Simon M. Humphrey; Paul T. Wood","Multiple Areas of Magnetic Bistability in the Topological Ferrimagnet [Co3(NC5H3(CO2)2-2,5)2(μ3-OH)2(OH2)2]","Journal of the American Chemical Society","2004","126","","13236","13237","10.1021/ja046351l","","","0.71073","MoKα","","0.0941","0.072","","","0.158","0.1696","","","","","","1.077","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113056","16.0055","0.0009","11.2575","0.0006","34.1472","0.0019","90","","101.152","0.001","90","","6036.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Ir N O2 P2 -","- C30 H48 Ir N O2 P2 -","- C240 H384 Ir8 N8 O16 P16 -","8","2","","Xiawei Zhang; Mira Kanzelberger; Thomas J. Emge; Alan S. Goldman","Selective Addition to Iridium of Aryl C-H Bonds Ortho to Coordinating Groups. Not Chelation-Assisted","Journal of the American Chemical Society","2004","126","","13192","13193","10.1021/ja046476q","","","0.71073","MoKα","","0.0303","0.0253","","","0.0543","0.0559","","","","","","1.003","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113057","12.3806","0.0011","17.1783","0.0016","14.0018","0.0013","90","","94.535","0.002","90","","2968.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H48 Ir N O2 P2 -","- C30 H48 Ir N O2 P2 -","- C120 H192 Ir4 N4 O8 P8 -","4","1","","Xiawei Zhang; Mira Kanzelberger; Thomas J. Emge; Alan S. Goldman","Selective Addition to Iridium of Aryl C-H Bonds Ortho to Coordinating Groups. Not Chelation-Assisted","Journal of the American Chemical Society","2004","126","","13192","13193","10.1021/ja046476q","","","0.71073","MoKα","","0.0808","0.0452","","","0.097","0.111","","","","","","1.008","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113058","19.4491","0.0009","10.485","0.0005","15.5406","0.0007","90","","100.886","0.001","90","","3112.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 Ir O P2 -","- C32 H51 Ir O P2 -","- C128 H204 Ir4 O4 P8 -","4","1","","Xiawei Zhang; Mira Kanzelberger; Thomas J. Emge; Alan S. Goldman","Selective Addition to Iridium of Aryl C-H Bonds Ortho to Coordinating Groups. Not Chelation-Assisted","Journal of the American Chemical Society","2004","126","","13192","13193","10.1021/ja046476q","","","0.71073","MoKα","","0.0227","0.0198","","","0.0471","0.0482","","","","","","1.035","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113059","16.0141","0.0008","13.3238","0.0006","14.9154","0.0007","90","","105.463","0.001","90","","3067.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 Ir O P2 -","- C32 H51 Ir O P2 -","- C128 H204 Ir4 O4 P8 -","4","1","","Xiawei Zhang; Mira Kanzelberger; Thomas J. Emge; Alan S. Goldman","Selective Addition to Iridium of Aryl C-H Bonds Ortho to Coordinating Groups. Not Chelation-Assisted","Journal of the American Chemical Society","2004","126","","13192","13193","10.1021/ja046476q","","","0.71073","MoKα","","0.0274","0.0233","","","0.0564","0.0584","","","","","","1.038","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113060","6.469","0.004","10.934","0.006","13.371","0.009","73.9","0.02","88.25","0.03","76.29","0.02","882.1","0.9","193.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 F3 O2 -","- C20 H21 F3 O2 -","- C40 H42 F6 O4 -","2","1","","Yoshimitsu Itoh; Masahiro Yamanaka; Koichi Mikami","Direct Generation of Ti-Enolate of α-CF3 Ketone: Theoretical Study and High-Yielding and Diastereoselective Aldol Reaction","Journal of the American Chemical Society","2004","126","","13174","13175","10.1021/ja046518a","","","0.7107","MoKα","","","0.096","","","","0.162","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113061","9.7983","0.001","9.4257","0.001","17.9186","0.0019","90","","92.743","0.002","90","","1653","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H48 Cl N4 O2 Rh -","- C35 H48 Cl N4 O2 Rh -","- C70 H96 Cl2 N8 O4 Rh2 -","2","1","","Manuel Alcarazo; Stephen J. Roseblade; Emma Alonso; Rosario Fernández; Eleuterio Alvarez; Fernando J. Lahoz; José M. Lassaletta","1,3-Bis(N,N-dialkylamino)imidazolin-2-ylidenes: Synthesis and Reactivity of a New Family of Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2004","126","","13242","13243","10.1021/ja0471119","","","0.71073","MoKα","","0.0322","0.0297","","","0.0707","0.0725","","","","","","1.042","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113062","8.0332","0.0002","13.2741","0.0003","9.5148","0.0002","90","","107.835","0.001","90","","965.84","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H29 F6 N4 P -","- C15 H29 F6 N4 P -","- C30 H58 F12 N8 P2 -","2","1","","Manuel Alcarazo; Stephen J. Roseblade; Emma Alonso; Rosario Fernández; Eleuterio Alvarez; Fernando J. Lahoz; José M. Lassaletta","1,3-Bis(N,N-dialkylamino)imidazolin-2-ylidenes: Synthesis and Reactivity of a New Family of Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2004","126","","13242","13243","10.1021/ja0471119","","","0.71073","MoKα","","0.0266","0.0257","","","0.0688","0.0697","","","","","","1.033","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113063","13.2635","0.001","17.8218","0.0014","21.0178","0.0017","90","","90","","90","","4968.2","0.7","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H40 Cl N4 Rh -","- C23 H40 Cl N4 Rh -","- C184 H320 Cl8 N32 Rh8 -","8","2","","Manuel Alcarazo; Stephen J. Roseblade; Emma Alonso; Rosario Fernández; Eleuterio Alvarez; Fernando J. Lahoz; José M. Lassaletta","1,3-Bis(N,N-dialkylamino)imidazolin-2-ylidenes: Synthesis and Reactivity of a New Family of Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2004","126","","13242","13243","10.1021/ja0471119","","","0.71073","MoKα","","0.0434","0.0308","","","0.0762","0.0825","","","","","","1.023","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113064","13.691","0.002","13.691","0.002","13.691","0.002","90","","90","","90","","2566.3","0.6","293","2","293","2","","","","","","","synthesis","3","P m -3 m","-P 4 2 3","221","itq21_calcined","structure solved from laboratory powder diffraction data","","- Ge14.83 O71.64 Si20.82 -","- Ge14.832 O71.64 Si20.816 -","- Ge14.832 O71.64 Si20.816 -","1","0.0208333","","Teresa Blasco; Avelino Corma; Maria José Díaz-Cabañas; Fernando Rey; Jordi Rius; German Sastre; José A. Vidal-Moya","Synthesis, Characterization, and Framework Heteroatom Localization in ITQ-21","Journal of the American Chemical Society","2004","126","","13414","13423","10.1021/ja047990z","","x-ray","1.54059","CuKa12","","0.059","0.059","","0.073","0.073","","","","2.7","2.7","2.7","","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113065","27.696","","27.696","","27.696","","90","","90","","90","","21244.7","","293","2","293","2","","","","","","","synthesis","7","F m -3 c","-F 4a 2 3","226","itq21_as-synthesised","ITQ-21 as synthesised, ref. number: itq21-653","","- C384 H696 F24 Ge120 N48 O576 Si168 -","- F23.616 Ge288.192 O573.12 Si19.456 -","- F23.616 Ge288.192 O573.12 Si19.456 -","1","0.00520833","","Teresa Blasco; Avelino Corma; Maria José Díaz-Cabañas; Fernando Rey; Jordi Rius; German Sastre; José A. Vidal-Moya","Synthesis, Characterization, and Framework Heteroatom Localization in ITQ-21","Journal of the American Chemical Society","2004","126","","13414","13423","10.1021/ja047990z","","","0.9611","monochromatic","","0.07","0.07","","0.0912","0.0912","","","","1.008","1.008","1.008","","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113066","30.052","0.004","30.052","0.004","42.551","0.009","90","","90","","90","","38429","11","100","2","100","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","Cuboctahedron","","","- C66 H100 O40 Pr3.75 S6 -","- C48 H26.6667 O34.3911 Pr2.22222 S6.22222 -","- C864 H480 O619.04 Pr40 S112 -","18","1.125","","Jerry L. Atwood; Leonard J. Barbour; Scott J. Dalgarno; Michaele J. Hardie; Colin L. Raston; Helen R. Webb","Toward Mimicking Viral Geometry with Metal-Organic Systems","Journal of the American Chemical Society","2004","126","","13170","13171","10.1021/ja048058r","","","0.71073","MoKα","","0.3276","0.291","","","0.6052","0.6174","","","","","","4.674","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113067","14.806","0.005","13.179","0.004","24.417","0.007","90","","97.738","0.013","90","","4721","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Fluoxetine hydrochloride:benzoic acid cocrystal (1:1)","N-Methyl-g-((4-trifluoromethyl)phenoxy)-benzenepropanamine hydrochloride benzoic acid","","- C24 H25 Cl F3 N O3 -","- C24 H25 Cl F3 N O3 -","- C192 H200 Cl8 F24 N8 O24 -","8","2","","Scott L. Childs; Leonard J. Chyall; Jeanette T. Dunlap; Valeriya N. Smolenskaya; Barbara C. Stahly; G. Patrick Stahly","Crystal Engineering Approach To Forming Cocrystals of Amine Hydrochlorides with Organic Acids. Molecular Complexes of Fluoxetine Hydrochloride with Benzoic, Succinic, and Fumaric Acids","Journal of the American Chemical Society","2004","126","","13335","13342","10.1021/ja048114o","","","0.71073","MoKα","","0.133","0.0852","","","0.193","0.2165","","","","","","1.052","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113068","26.6914","0.0008","7.1807","0.0003","20.6546","0.0007","90","","90","","90","","3958.7","0.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Fluoxetine hydrochloride:fumaric acid cocrystal (2:1)","N-Methyl-g-((4-trifluoromethyl)phenoxy)-benzenepropanamine hydrochloride fumaric acid","","- C38 H42 Cl2 F6 N2 O6 -","- C38 H42 Cl2 F6 N2 O6 -","- C152 H168 Cl8 F24 N8 O24 -","4","0.5","","Scott L. Childs; Leonard J. Chyall; Jeanette T. Dunlap; Valeriya N. Smolenskaya; Barbara C. Stahly; G. Patrick Stahly","Crystal Engineering Approach To Forming Cocrystals of Amine Hydrochlorides with Organic Acids. Molecular Complexes of Fluoxetine Hydrochloride with Benzoic, Succinic, and Fumaric Acids","Journal of the American Chemical Society","2004","126","","13335","13342","10.1021/ja048114o","","","1.54178","CuKα","","0.0941","0.047","","","0.0927","0.1202","","","","","","1.004","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113069","26.62","0.002","7.2147","0.0007","20.8315","0.0019","90","","90","","90","","4000.8","0.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Fluoxetine hydrochloride:succinic acid cocrystal (2:1)","N-Methyl-g-((4-trifluoromethyl)phenoxy)-benzenepropanamine hydrochloride succinic acid","","- C38 H44 Cl2 F6 N2 O6 -","- C38 H44 Cl2 F6 N2 O6 -","- C152 H176 Cl8 F24 N8 O24 -","4","0.5","","Scott L. Childs; Leonard J. Chyall; Jeanette T. Dunlap; Valeriya N. Smolenskaya; Barbara C. Stahly; G. Patrick Stahly","Crystal Engineering Approach To Forming Cocrystals of Amine Hydrochlorides with Organic Acids. Molecular Complexes of Fluoxetine Hydrochloride with Benzoic, Succinic, and Fumaric Acids","Journal of the American Chemical Society","2004","126","","13335","13342","10.1021/ja048114o","","","0.71073","MoKα","","0.0892","0.0767","","","0.1855","0.1928","","","","","","1.195","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113070","8.1571","0.00013","8.1571","","8.1571","","90","","90","","90","","542.759","0.009","","","","","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- Li0.25 Mg0.03 Mn0.39 Ni0.09 O -","- Li0.246248 Mg0.025 Mn0.385456 Ni0.0895438 O -","- Li7.87992 Mg0.8 Mn12.3346 Ni2.8654 O32 -","32","1.33333","","Marnix Wagemaker; Frans G. B. Ooms; Erik M. Kelder; Joop Schoonman; Fokko M. Mulder","Extensive Migration of Ni and Mn by Lithiation of Ordered LiMg0.1Ni0.4Mn1.5O4 Spinel","Journal of the American Chemical Society","2004","126","","13526","13533","10.1021/ja048319x","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113071","5.7375","0.0003","5.7375","","8.6575","0.0014","90","","90","","90","","285","0.05","","","","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- Li0.6 Mg0.03 Mn0.44 Ni0.03 O -","- Li0.59903 Mg0.025 Mn0.443845 Ni0.031155 O -","- Li9.58448 Mg0.4 Mn7.10152 Ni0.49848 O16 -","16","0.5","","Marnix Wagemaker; Frans G. B. Ooms; Erik M. Kelder; Joop Schoonman; Fokko M. Mulder","Extensive Migration of Ni and Mn by Lithiation of Ordered LiMg0.1Ni0.4Mn1.5O4 Spinel","Journal of the American Chemical Society","2004","126","","13526","13533","10.1021/ja048319x","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113072","5.7175","0.0005","5.7175","","8.9936","0.0011","90","","90","","90","","294","0.04","","","","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- Li0.45 Mg0.03 Mn0.34 Ni0.14 O -","- Li0.451555 Mg0.025 Mn0.33928 Ni0.13572 O -","- Li7.22488 Mg0.4 Mn5.42848 Ni2.17152 O16 -","16","0.5","","Marnix Wagemaker; Frans G. B. Ooms; Erik M. Kelder; Joop Schoonman; Fokko M. Mulder","Extensive Migration of Ni and Mn by Lithiation of Ordered LiMg0.1Ni0.4Mn1.5O4 Spinel","Journal of the American Chemical Society","2004","126","","13526","13533","10.1021/ja048319x","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113073","35.876","0.009","6.019","0.001","20.131","0.005","90","","94.495","0.004","90","","4333.7","1.7","153.2","","153.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 F26 S4 Si2 -","- C34 H24 F26 S4 Si2 -","- C136 H96 F104 S16 Si8 -","4","0.5","","Antonio Facchetti; Myung-Han Yoon; Charlotte L. Stern; Geoffrey R. Hutchison; Mark A. Ratner; Tobin J. Marks","Building Blocks for N-Type Molecular and Polymeric Electronics. Perfluoroalkyl- versus Alkyl-Functionalized Oligothiophenes (nTs; n= 2-6). Systematic Synthesis, Spectroscopy, Electrochemistry, and Solid-State Organization","Journal of the American Chemical Society","2004","126","","13480","13501","10.1021/ja048988a","","","0.7107","MoKα","","0.069","0.059","","0.2004","","0.143","","","1.285","","","1.86","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113074","12.027","0.002","27.228","0.005","12.927","0.002","90","","95.966","0.004","90","","4210.3","1.2","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H43 Br O6 -","- C50 H43 Br O6 -","- C200 H172 Br4 O24 -","4","1","","Baudouin Gerard; Guilford Jones; John A. Porco","A Biomimetic Approach to the Rocaglamides Employing Photogeneration of Oxidopyryliums Derived from 3-Hydroxyflavones","Journal of the American Chemical Society","2004","126","","13620","13621","10.1021/ja044798o","","","0.71073","MoKα","","0.2038","0.0655","","","0.1101","0.1455","","","","","","0.998","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113075","25.4111","0.001","16.5031","0.0006","16.4599","0.0006","90","","106.677","0.001","90","","6612.3","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Br2 O6 -","- C38 H28 Br2 O6 -","- C304 H224 Br16 O48 -","8","2","","Baudouin Gerard; Guilford Jones; John A. Porco","A Biomimetic Approach to the Rocaglamides Employing Photogeneration of Oxidopyryliums Derived from 3-Hydroxyflavones","Journal of the American Chemical Society","2004","126","","13620","13621","10.1021/ja044798o","","","0.71073","MoKα","","0.094","0.0459","","","0.1001","0.1169","","","","","","1.022","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113076","6.6701","0.0007","12.0093","0.0016","21.684","0.003","90","","92.974","0.009","90","","1734.6","0.4","210","2","210","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,15-Bis(1,3-dithanyl)-10,20-diphenylporphyrin","","- C40 H34 N4 S4 -","- C40 H34 N4 S4 -","- C80 H68 N8 S8 -","2","0.5","","Mathias O. Senge; Sabine S. Hatscher; Arno Wiehe; Katja Dahms; Andrea Kelling","The Dithianyl Group as a Synthon in Porphyrin Chemistry: Condensation Reactions and Preparation of Formylporphyrins under Basic Conditions","Journal of the American Chemical Society","2004","126","","13634","13635","10.1021/ja045223u","","","0.71073","MoKα","","0.125","0.0581","","","0.0994","0.1166","","","","","","0.891","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113077","9.5709","0.0015","17.391","0.003","20.501","0.003","90","","90","","90","","3412.3","0.9","173.5","","173.5","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H51 Mo N2 O3 P -","- C34 H51 Mo N2 O3 P -","- C136 H204 Mo4 N8 O12 P4 -","4","1","","María Alonso; M. Esther García; Miguel A. Ruiz; Hayrullo Hamidov; John C. Jeffery","Chemistry of the Phosphinidene Oxide Ligand","Journal of the American Chemical Society","2004","126","","13610","13611","10.1021/ja045487g","","","0.71073","MoKα","","0.0904","0.0442","","","0.0735","0.0846","","","","","","0.933","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113078","17.1829","0.0015","13.0958","0.0011","27.663","0.002","90","","90","","90","","6224.8","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H39 Mo O4 P -","- C32 H39 Mo O4 P -","- C256 H312 Mo8 O32 P8 -","8","1","","María Alonso; M. Esther García; Miguel A. Ruiz; Hayrullo Hamidov; John C. Jeffery","Chemistry of the Phosphinidene Oxide Ligand","Journal of the American Chemical Society","2004","126","","13610","13611","10.1021/ja045487g","","","0.71073","MoKα","","0.1836","0.0651","","","0.1084","0.1428","","","","","","0.944","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113079","20.947","0.002","10.4889","0.001","11.5591","0.0012","90","","102.708","0.002","90","","2477.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 F Mo O2 P -","- C25 H34 F Mo O2 P -","- C100 H136 F4 Mo4 O8 P4 -","4","1","","María Alonso; M. Esther García; Miguel A. Ruiz; Hayrullo Hamidov; John C. Jeffery","Chemistry of the Phosphinidene Oxide Ligand","Journal of the American Chemical Society","2004","126","","13610","13611","10.1021/ja045487g","","","0.71073","MoKα","","0.1285","0.0567","","","0.0852","0.1031","","","","","","0.969","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113080","9.2708","0.0003","12.0224","0.0004","14.3208","0.0005","84.894","0.001","77.062","0.001","75.535","0.001","1505.4","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H43 Mo O3 P -","- C31.5 H39 Mo O3 P -","- C63 H78 Mo2 O6 P2 -","2","1","","María Alonso; M. Esther García; Miguel A. Ruiz; Hayrullo Hamidov; John C. Jeffery","Chemistry of the Phosphinidene Oxide Ligand","Journal of the American Chemical Society","2004","126","","13610","13611","10.1021/ja045487g","","","0.71073","MoKα","","0.0286","0.0241","","","0.0594","0.0602","","","","","","0.982","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113081","12.8595","0.0007","16.945","0.001","17.3999","0.001","94.467","0.001","92.188","0.001","107.83","0.001","3590.7","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H90 Cl2 O12 -","- C76 H88 O12 -","- C152 H176 O24 -","2","1","","Rajendra Rathore; Sameh H. Abdelwahed; Ilia A. Guzei","Synthesis of a Calix[4]arene Derivative for Isolation of a Stable Cation Radical Salt for Use as a Colorimetric Sensor of Nitric Oxide","Journal of the American Chemical Society","2004","126","","13582","13583","10.1021/ja0454900","","","0.71073","MoKα","","0.0866","0.0586","","","0.1454","0.1565","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113082","17.7568","0.0006","19.4998","0.0007","22.7932","0.0008","90","","90","","90","","7892.2","0.5","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C78 H92 Cl10 N O13 Sb -","- C76 H88 Cl6 N O13 Sb -","- C304 H352 Cl24 N4 O52 Sb4 -","4","0.5","","Rajendra Rathore; Sameh H. Abdelwahed; Ilia A. Guzei","Synthesis of a Calix[4]arene Derivative for Isolation of a Stable Cation Radical Salt for Use as a Colorimetric Sensor of Nitric Oxide","Journal of the American Chemical Society","2004","126","","13582","13583","10.1021/ja0454900","","","0.71073","MoKα","","0.033","0.0313","","","0.0732","0.0738","","","","","","1.051","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113083","7.5396","0.0016","13.197","0.003","14.701","0.003","92.045","0.004","93.378","0.004","98.745","0.004","1441.8","0.5","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H36 O8 -","- C34 H36 O8 -","- C68 H72 O16 -","2","1","","James B. Beil; N. Gabriel Lemcoff; Steven C. Zimmerman","On the Nature of Dendrimer Cross-Linking by Ring-Closing Metathesis","Journal of the American Chemical Society","2004","126","","13576","13577","10.1021/ja045885j","","","0.71073","MoKα","","0.1036","0.0516","","","0.1304","0.1433","","","","","","1.036","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113084","8.557","0.0017","13.017","0.003","14.182","0.003","95.851","0.004","94.257","0.004","103.649","0.004","1519.2","0.6","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H36 O8 -","- C34 H36 O8 -","- C68 H72 O16 -","2","1","","James B. Beil; N. Gabriel Lemcoff; Steven C. Zimmerman","On the Nature of Dendrimer Cross-Linking by Ring-Closing Metathesis","Journal of the American Chemical Society","2004","126","","13576","13577","10.1021/ja045885j","","","0.71073","MoKα","","0.1061","0.0397","","","0.0693","0.0818","","","","","","0.833","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113085","11.6076","0.0005","17.6809","0.0007","27.2021","0.0011","90","","90","","90","","5582.8","0.4","143","1","143","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H20 Cl3 N3 O3 Ru -","- C31 H20 Cl3 N3 O3 Ru -","- C248 H160 Cl24 N24 O24 Ru8 -","8","1","","Howard Bregman; Douglas S. Williams; G. Ekin Atilla; Patrick J. Carroll; Eric Meggers","An Organometallic Inhibitor for Glycogen Synthase Kinase 3","Journal of the American Chemical Society","2004","126","","13594","13595","10.1021/ja046049c","","","0.71069","MoKα","","0.0508","0.0461","","","0.1225","0.1278","","","","","","1.042","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113086","6.2223","0.0013","11.473","0.003","24.811","0.006","90","","90","","90","","1771.2","0.7","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Qi-Ying Hu; Gang Zhou; E. J. Corey","Application of Chiral Cationic Catalysts to Several Classical Syntheses of Racemic Natural Products Transforms Them into Highly Enantioselective Pathways","Journal of the American Chemical Society","2004","126","","13708","13713","10.1021/ja046154m","","","0.71073","MoKα","","0.0607","0.0517","","","0.112","0.1159","","","","","","1.13","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113087","9.743","0.002","10.973","0.002","11.164","0.002","82.128","0.003","82.136","0.003","83.161","0.003","1165","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","03046","","","- C26 H24 Co O4 P -","- C26 H24 Co O4 P -","- C52 H48 Co2 O8 P2 -","2","1","","Donald J. Darensbourg; Andrea L. Phelps; Nathalie Le Gall; Li Jia","Mechanistic Studies of the Copolymerization Reaction of Aziridines and Carbon Monoxide to Produce Poly-β-peptoids","Journal of the American Chemical Society","2004","126","","13808","13815","10.1021/ja046225h","","","0.71073","MoKα","","0.0436","0.0353","","","0.0932","0.0987","","","","","","1.017","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113088","9.41","0.03","9.43","0.03","11.98","0.03","88.45","0.05","76.11","0.05","84.76","0.05","1028","5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 Co O4 P -","- C23 H18 Co O4 P -","- C46 H36 Co2 O8 P2 -","2","1","","Donald J. Darensbourg; Andrea L. Phelps; Nathalie Le Gall; Li Jia","Mechanistic Studies of the Copolymerization Reaction of Aziridines and Carbon Monoxide to Produce Poly-β-peptoids","Journal of the American Chemical Society","2004","126","","13808","13815","10.1021/ja046225h","","","0.71073","MoKα","","0.0925","0.0784","","","0.2387","0.2645","","","","","","1.055","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113089","8.8433","0.0009","19.2251","0.0019","5.7426","0.0005","90","","90","","90","","976.32","0.16","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C44 H56 O8 -","4","1","","Alice E. Lurain; Aaron Maestri; Ann Rowley Kelly; Patrick J. Carroll; Patrick J. Walsh","Highly Enantio- and Diastereoselective One-Pot Synthesis of Acyclic Epoxy Alcohols with Three Contiguous Stereocenters","Journal of the American Chemical Society","2004","126","","13608","13609","10.1021/ja046750g","","","0.71069","MoKα","","0.0302","0.0292","","","0.0718","0.0728","","","","","","1.12","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113090","43.276","0.002","43.276","0.002","12.6051","0.001","90","","90","","120","","20444","2","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C52 H65 Fe N3 -","- C52 H65 Fe N3 -","- C936 H1170 Fe18 N54 -","18","1","","Suzanne C. Bart; Emil Lobkovsky; Paul J. Chirik","Preparation and Molecular and Electronic Structures of Iron(0) Dinitrogen and Silane Complexes and Their Application to Catalytic Hydrogenation and Hydrosilation","Journal of the American Chemical Society","2004","126","","13794","13807","10.1021/ja046753t","","","0.71073","MoKα","","0.1136","0.0616","","","0.1605","0.187","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113091","18.3719","0.0018","16.5295","0.0014","37.716","0.004","90","","95.918","0.004","90","","11392.5","1.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C103 H137 Cl17 N9 Sc3 -","- C34.3333 H45 Cl5.66667 N3 Sc -","- C412 H540 Cl68 N36 Sc12 -","12","3","","Suzanne C. Bart; Emil Lobkovsky; Paul J. Chirik","Preparation and Molecular and Electronic Structures of Iron(0) Dinitrogen and Silane Complexes and Their Application to Catalytic Hydrogenation and Hydrosilation","Journal of the American Chemical Society","2004","126","","13794","13807","10.1021/ja046753t","","","0.71073","MoKα","","0.1388","0.0683","","","0.1448","0.1721","","","","","","0.991","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113092","13.618","0.0006","12.4246","0.0005","26.3319","0.001","90","","102.024","0.001","90","","4357.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H59 Fe N3 Si2 -","- C46.5 H59 Fe N3 Si2 -","- C186 H236 Fe4 N12 Si8 -","4","1","","Suzanne C. Bart; Emil Lobkovsky; Paul J. Chirik","Preparation and Molecular and Electronic Structures of Iron(0) Dinitrogen and Silane Complexes and Their Application to Catalytic Hydrogenation and Hydrosilation","Journal of the American Chemical Society","2004","126","","13794","13807","10.1021/ja046753t","","","0.71073","MoKα","","0.092","0.0481","","","0.1013","0.1167","","","","","","1.024","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113093","8.5667","0.0011","8.8933","0.0011","22.409","0.003","86.353","0.003","84.933","0.003","70.398","0.003","1601","0.4","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H43 Fe N7 -","- C33 H43 Fe N7 -","- C66 H86 Fe2 N14 -","2","1","","Suzanne C. Bart; Emil Lobkovsky; Paul J. Chirik","Preparation and Molecular and Electronic Structures of Iron(0) Dinitrogen and Silane Complexes and Their Application to Catalytic Hydrogenation and Hydrosilation","Journal of the American Chemical Society","2004","126","","13794","13807","10.1021/ja046753t","","","0.71073","MoKα","","0.1031","0.0546","","","0.0995","0.114","","","","","","0.995","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113094","10.1598","0.0003","11.7014","0.0004","15.3667","0.0005","75.595","0.002","78.587","0.002","67.167","0.002","1620.22","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H41 N2 O P Sn -","- C35 H41 N2 O P Sn -","- C70 H82 N4 O2 P2 Sn2 -","2","1","","Nonsee Nimitsiriwat; Edward L. Marshall; Vernon C. Gibson; Mark R. J. Elsegood; Sophie H. Dale","Unprecedented Reversible Migration of Amide to Schiff Base Ligands Attached to Tin: Latent Single-Site Initiators for Lactide Polymerization","Journal of the American Chemical Society","2004","126","","13598","13599","10.1021/ja0470315","","","0.71073","MoKα","","0.0206","0.019","","","0.0484","0.0493","","","","","","1.044","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113095","12.442","0.0001","19.8595","0.0002","35.8872","0.0004","90","","97.661","0.001","90","","8788.29","0.15","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C113 H82 Cl2 N8 -","- C113 H82 Cl2 N8 -","- C452 H328 Cl8 N32 -","4","1","","Bohumil Dolenský; Jiří Kroulík; Vladimír Král; Jonathan L. Sessler; Hana Dvořáková; Petr Bouř; Markéta Bernátková; Christophe Bucher; Vincent Lynch","Calix[4]phyrins. Effect of Peripheral Substituents on Conformational Mobility and Structure within a Series of Related Systems","Journal of the American Chemical Society","2004","126","","13714","13722","10.1021/ja048075g","","","0.71073","MoKα","","0.1619","0.0778","","","0.1571","0.1925","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113096","15.0933","0.0002","24.4686","0.0003","13.2314","0.0002","90","","107.054","0.001","90","","4671.65","0.11","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C57 H27 Cl3 F10 N4 -","- C57 H26 Cl3.01 F10 N4 -","- C228 H104 Cl12.04 F40 N16 -","4","1","","Bohumil Dolenský; Jiří Kroulík; Vladimír Král; Jonathan L. Sessler; Hana Dvořáková; Petr Bouř; Markéta Bernátková; Christophe Bucher; Vincent Lynch","Calix[4]phyrins. Effect of Peripheral Substituents on Conformational Mobility and Structure within a Series of Related Systems","Journal of the American Chemical Society","2004","126","","13714","13722","10.1021/ja048075g","","","0.71073","MoKα","","0.0847","0.0546","","","0.1209","0.1335","","","","","","1.198","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113097","25.0385","0.0003","7.6843","0.0001","19.3335","0.0002","90","","112.494","0.001","90","","3436.82","0.07","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H30 F10 N4 -","- C42 H30 F10 N4 -","- C168 H120 F40 N16 -","4","0.5","","Bohumil Dolenský; Jiří Kroulík; Vladimír Král; Jonathan L. Sessler; Hana Dvořáková; Petr Bouř; Markéta Bernátková; Christophe Bucher; Vincent Lynch","Calix[4]phyrins. Effect of Peripheral Substituents on Conformational Mobility and Structure within a Series of Related Systems","Journal of the American Chemical Society","2004","126","","13714","13722","10.1021/ja048075g","","","0.71073","MoKα","","0.0336","0.0306","","","0.0765","0.078","","","","","","1.043","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113098","14.2116","0.0003","11.8259","0.0003","11.5544","0.0002","90","","111.306","0.001","90","","1809.17","0.07","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H26 F10 N4 -","- C46 H26 F10 N4 -","- C92 H52 F20 N8 -","2","0.5","","Bohumil Dolenský; Jiří Kroulík; Vladimír Král; Jonathan L. Sessler; Hana Dvořáková; Petr Bouř; Markéta Bernátková; Christophe Bucher; Vincent Lynch","Calix[4]phyrins. Effect of Peripheral Substituents on Conformational Mobility and Structure within a Series of Related Systems","Journal of the American Chemical Society","2004","126","","13714","13722","10.1021/ja048075g","","","0.71073","MoKα","","0.2066","0.0751","","","0.1565","0.1781","","","","","","1.255","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113099","15.376","0.003","11.174","0.002","18.51","0.003","90","","100.535","0.002","90","","3126.6","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 Cl2 Fe O4 Si4 -","- C22 H42 Cl2 Fe O4 Si4 -","- C88 H168 Cl8 Fe4 O16 Si16 -","4","1","","Hisako Hashimoto; Katsunori Suzuki; Wataru Setaka; Chizuko Kabuto; Mitsuo Kira","Iron Complexes of (E)- and (Z)-1,2-Dichlorodisilenes","Journal of the American Chemical Society","2004","126","","13628","13629","10.1021/ja048100i","","","0.7107","MoKα","","0.0403","0.0353","","","0.1105","0.1184","","","","","","0.919","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113100","14.774","0.004","15.521","0.005","27.909","0.008","90","","90","","90","","6400","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H42 Cl2 Fe O4 Si4 -","- C22 H42 Cl2 Fe O4 Si4 -","- C176 H336 Cl16 Fe8 O32 Si32 -","8","1","","Hisako Hashimoto; Katsunori Suzuki; Wataru Setaka; Chizuko Kabuto; Mitsuo Kira","Iron Complexes of (E)- and (Z)-1,2-Dichlorodisilenes","Journal of the American Chemical Society","2004","126","","13628","13629","10.1021/ja048100i","","","0.7107","MoKα","","0.1744","0.1494","","","0.3007","0.3165","","","","","","1.178","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113101","5.057","0.002","5.057","0.002","5.42","0.003","90","","90","","120","","120.04","0.09","293","2","293","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ba Pt -","- Ba Pt -","- Ba2 Pt2 -","2","0.0833333","","Andrey Karpov; Jürgen Nuss; Ulrich Wedig; Martin Jansen","Covalently Bonded [Pt]-Chains in BaPt: Extension of the Zintl-Klemm Concept to Anionic Transition Metals?","Journal of the American Chemical Society","2004","126","","14123","14128","10.1021/ja0401186","","","0.71073","MoKα","","0.0319","0.0297","","","0.0787","0.0794","","","","","","1.372","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113102","6.8198","0.0003","9.4658","0.0007","11.7016","0.0008","91.077","0.003","103.919","0.004","104.246","0.004","708.22","0.08","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H16 Br2 Zr -","- C13 H16 Br2 Zr -","- C26 H32 Br4 Zr2 -","2","1","","Asha Rajapakshe; Nadine E. Gruhn; Dennis L. Lichtenberger; Rehan Basta; Atta M. Arif; Richard D. Ernst","Pentadienyls vs Cyclopentadienyls and Reversal of Metal-Ligand Bonding Affinity with Metal Oxidation State: Synthesis, Molecular Structures, and Electronic Structures of High-Valent Zirconium Pentadienyl Complexes","Journal of the American Chemical Society","2004","126","","14105","14116","10.1021/ja040123+","","","0.71073","MoKα","","0.0766","0.0573","","","0.1539","0.1683","","","","","","1.088","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113103","17.5859","0.0007","6.6451","0.0001","24.7237","0.001","90","","107.946","0.0012","90","","2748.65","0.16","150","1","150","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C13 H16 Cl2 Zr -","- C13 H16 Cl2 Zr -","- C104 H128 Cl16 Zr8 -","8","2","","Asha Rajapakshe; Nadine E. Gruhn; Dennis L. Lichtenberger; Rehan Basta; Atta M. Arif; Richard D. Ernst","Pentadienyls vs Cyclopentadienyls and Reversal of Metal-Ligand Bonding Affinity with Metal Oxidation State: Synthesis, Molecular Structures, and Electronic Structures of High-Valent Zirconium Pentadienyl Complexes","Journal of the American Chemical Society","2004","126","","14105","14116","10.1021/ja040123+","","","0.71073","MoKα","","0.0579","0.0376","","","0.0684","0.075","","","","","","1.082","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113104","8.73","0.0002","13.1929","0.0003","13.0595","0.0004","90","","95.298","0.0011","90","","1497.69","0.07","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 I2 Zr -","- C13 H16 I2 Zr -","- C52 H64 I8 Zr4 -","4","1","","Asha Rajapakshe; Nadine E. Gruhn; Dennis L. Lichtenberger; Rehan Basta; Atta M. Arif; Richard D. Ernst","Pentadienyls vs Cyclopentadienyls and Reversal of Metal-Ligand Bonding Affinity with Metal Oxidation State: Synthesis, Molecular Structures, and Electronic Structures of High-Valent Zirconium Pentadienyl Complexes","Journal of the American Chemical Society","2004","126","","14105","14116","10.1021/ja040123+","","","0.71073","MoKα","","0.052","0.039","","","0.0871","0.0948","","","","","","1.022","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113105","26.777","0.012","8.697","0.004","22.295","0.01","90","","99.105","0.007","90","","5127","4","138","2","138","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C63 H69 N4 Zr2 -","- C63 H69 N4 Zr2 -","- C252 H276 N16 Zr8 -","4","1","","Matthew D. LoCoco; Richard F. Jordan","Enantioselective Synthesis of ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","13918","13919","10.1021/ja045245g","","","0.71073","MoKα","","0.0268","0.0251","","","0.0659","0.0673","","","","","","0.605","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113106","10.3941","0.0019","12.017","0.002","21.372","0.004","90","","90","","90","","2669.5","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(2R,4R)-N,N'-Diphenyl-(2,4)-pentanediamine]ZrCl2(THF2)","","","- C25 H36 Cl2 N2 O2 Zr -","- C25 H36 Cl2 N2 O2 Zr -","- C100 H144 Cl8 N8 O8 Zr4 -","4","1","","Matthew D. LoCoco; Richard F. Jordan","Enantioselective Synthesis of ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","13918","13919","10.1021/ja045245g","","","0.71073","MoKα","","0.0332","0.0298","","","0.0515","0.0524","","","","","","1.006","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113107","15.041","0.003","11.401","0.002","11.289","0.002","90","","117.92","0.03","90","","1710.5","0.7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C37 H38 N2 Si Zr -","- C37 H38 N2 Si Zr -","- C74 H76 N4 Si2 Zr2 -","2","0.5","","Matthew D. LoCoco; Richard F. Jordan","Enantioselective Synthesis of ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","13918","13919","10.1021/ja045245g","","","0.71073","MoKα","","0.0396","0.039","","","0.0891","0.0895","","","","","","1.062","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113108","7.1767","0.0012","13.512","0.002","16.907","0.003","90","","90","","90","","1639.5","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S,S)-[CH2CH2(Indnyl)2]ZrCl2","","","- C20 H16 Cl2 Zr -","- C20 H16 Cl2 Zr -","- C80 H64 Cl8 Zr4 -","4","1","","Matthew D. LoCoco; Richard F. Jordan","Enantioselective Synthesis of ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","13918","13919","10.1021/ja045245g","","","0.71073","MoKα","","0.0248","0.0235","","","0.052","0.0524","","","","","","1.143","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113109","15.699","0.002","15.699","0.002","16.214","0.003","90","","90","","90","","3996.1","1","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C44 H40 O4 -","- C44 H40 O4 -","- C176 H160 O16 -","4","0.5","","Vijay Gopalsamuthiram; William D. Wulff","A New Convergent Strategy for the Synthesis of Calixarenes via a Triple Annulation of Fischer Carbene Complexes","Journal of the American Chemical Society","2004","126","","13936","13937","10.1021/ja0454236","","","0.71073","MoKα","","0.4427","0.1882","","","0.3515","0.4135","","","","","","1.491","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113110","12.899","0.003","16.405","0.003","15.888","0.003","90","","97.61","0.03","90","","3332.4","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 O4 -","- C44 H40 O4 -","- C176 H160 O16 -","4","1","","Vijay Gopalsamuthiram; William D. Wulff","A New Convergent Strategy for the Synthesis of Calixarenes via a Triple Annulation of Fischer Carbene Complexes","Journal of the American Chemical Society","2004","126","","13936","13937","10.1021/ja0454236","","","0.71073","MoKα","","0.1374","0.054","","","0.089","0.1111","","","","","","0.997","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113111","10.817","0.002","10.839","0.002","13.945","0.003","104.68","0.03","101.53","0.03","92.22","0.03","1542.8","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H39 N O6 -","- C36 H39 N O6 -","- C72 H78 N2 O12 -","2","1","","Vijay Gopalsamuthiram; William D. Wulff","A New Convergent Strategy for the Synthesis of Calixarenes via a Triple Annulation of Fischer Carbene Complexes","Journal of the American Chemical Society","2004","126","","13936","13937","10.1021/ja0454236","","","0.71073","MoKα","","0.0603","0.0499","","","0.1618","0.1671","","","","","","1.189","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113112","15.3195","0.0013","7.0515","0.0006","21.4677","0.0019","90","","106.239","0.002","90","","2226.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O6 -","- C25 H24 N2 O6 -","- C100 H96 N8 O24 -","4","1","","Douglass F. Taber; Yigang He; Ming Xu","Enantioselective Construction of Carbobicyclic Scaffolds","Journal of the American Chemical Society","2004","126","","13900","13901","10.1021/ja045849k","","","0.71073","MoKα","","0.1104","0.0862","","","0.1623","0.1702","","","","","","1.294","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113113","10.376","0.002","10.376","0.002","10.376","0.002","90","","90","","90","","1117.1","0.4","100","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Be13 Ce -","- Be13 Ce -","- Be104 Ce8 -","8","0.0416667","","Zakiya S. Wilson; Robin T. Macaluso; E. D. Bauer; J. L. Smith; J. D. Thompson; Z. Fisk; George G. Stanley; Julia Y. Chan","Rare Beryllium Icosahedra in the Intermediate Valence Compound CeBe13","Journal of the American Chemical Society","2004","126","","13926","13927","10.1021/ja045861c","","","0.71073","MoKα","","0.0219","0.0192","","","0.0464","0.0484","","","","","","1.159","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113114","11.923","0.0007","13.1067","0.0008","16.6412","0.001","74.251","0.001","72.965","0.001","67.582","0.001","2260.7","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","(t-BuC(P)O)Nb(N[Np]Ar)3","","","- C44 H63 N3 Nb O P -","- C44 H63 N3 Nb O P -","- C88 H126 N6 Nb2 O2 P2 -","2","1","","Joshua S. Figueroa; Christopher C. Cummins","Phosphaalkynes from Acid Chlorides via P for O(Cl) Metathesis: A Recyclable Niobium Phosphide (P3-) Reagent that Effects C-P Triple-Bond Formation","Journal of the American Chemical Society","2004","126","","13916","13917","10.1021/ja0461522","","","0.71073","MoKα","","0.0819","0.0661","","","0.154","0.1599","","","","","","1.014","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113115","12.7695","0.0009","16.2045","0.0011","22.624","0.0015","90","","91.802","0.001","90","","4679.1","0.6","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(F3CSO3)2Nb(N[Np]Ar)3","","","- C41 H47 F6 N3 Nb O6 S2 -","- C41 H47 F6 N3 Nb O6 S2 -","- C164 H188 F24 N12 Nb4 O24 S8 -","4","1","","Joshua S. Figueroa; Christopher C. Cummins","Phosphaalkynes from Acid Chlorides via P for O(Cl) Metathesis: A Recyclable Niobium Phosphide (P3-) Reagent that Effects C-P Triple-Bond Formation","Journal of the American Chemical Society","2004","126","","13916","13917","10.1021/ja0461522","","","0.71073","MoKα","","0.063","0.0461","","","0.1381","0.1446","","","","","","1.071","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113116","12.5441","0.001","34.834","0.003","12.2793","0.001","90","","115.995","0.001","90","","4822.8","0.7","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(1-AdC(P)O)Nb(N[Np]Ar)3","","","- C50 H75 N3 Nb O P -","- C50 H75 N3 Nb O P -","- C200 H300 N12 Nb4 O4 P4 -","4","1","","Joshua S. Figueroa; Christopher C. Cummins","Phosphaalkynes from Acid Chlorides via P for O(Cl) Metathesis: A Recyclable Niobium Phosphide (P3-) Reagent that Effects C-P Triple-Bond Formation","Journal of the American Chemical Society","2004","126","","13916","13917","10.1021/ja0461522","","","0.71073","MoKα","","0.1362","0.0906","","","0.1833","0.2001","","","","","","1.102","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113117","14.457","0.003","14.65","0.003","16.026","0.003","73.246","0.004","67.638","0.004","69.852","0.004","2898.2","1","218","2","218","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H74 B2 N4 O2 -","- C70 H74 B2 N4 O2 -","- C140 H148 B4 N8 O4 -","2","1","","Puhong Liao; Mikhail E. Itkis; Richard T. Oakley; Fook S. Tham; Robert C. Haddon","Light-Mediated C-C σ-Bond Driven Crystallization of a Phenalenyl Radical Dimer","Journal of the American Chemical Society","2004","126","","14297","14302","10.1021/ja046243z","","","0.71073","MoKα","","0.084","0.0531","","","0.1369","0.1631","","","","","","1.027","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113118","17.323","0.003","20.281","0.005","9.7394","0.0017","90","","93.74","0.006","90","","3414.4","1.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 B N2 O2 -","- C42 H48 B N2 O2 -","- C168 H192 B4 N8 O8 -","4","1","","Puhong Liao; Mikhail E. Itkis; Richard T. Oakley; Fook S. Tham; Robert C. Haddon","Light-Mediated C-C σ-Bond Driven Crystallization of a Phenalenyl Radical Dimer","Journal of the American Chemical Society","2004","126","","14297","14302","10.1021/ja046243z","","","0.71073","MoKα","","0.1166","0.0671","","","0.1777","0.2084","","","","","","1.027","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113119","9.135","0.0015","12.826","0.002","15.925","0.003","103.674","0.004","98.411","0.004","103.936","0.004","1718.3","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H96 B2 N4 O4 -","- C84 H96 B2 N4 O4 -","- C84 H96 B2 N4 O4 -","1","0.5","","Puhong Liao; Mikhail E. Itkis; Richard T. Oakley; Fook S. Tham; Robert C. Haddon","Light-Mediated C-C σ-Bond Driven Crystallization of a Phenalenyl Radical Dimer","Journal of the American Chemical Society","2004","126","","14297","14302","10.1021/ja046243z","","","0.71073","MoKα","","0.0821","0.0506","","","0.1249","0.1468","","","","","","1.019","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113120","27.6536","0.0012","35.0945","0.0013","20.6","0.0008","90","","90","","90","","19992.1","1.4","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Compound DL098","","","- C54 H198 K N9 Na2 O168 W36 -","- C51 H115.5 K N8.5 Na2 O167.8 W36 -","- C204 H462 K4 N34 Na8 O671.2 W144 -","4","0.5","","De-Liang Long; Hamera Abbas; Paul Kögerler; Leroy Cronin","A High-Nuclearity ""Celtic-Ring"" Isopolyoxotungstate, [H12W36O120]12-, That Captures Trace Potassium Ions","Journal of the American Chemical Society","2004","126","","13880","13881","10.1021/ja046410v","","","0.71073","MoKα","","0.1475","0.0571","","","0.0988","0.122","","","","","","0.989","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113121","17.2213","0.0005","17.2213","0.0005","10.7164","0.0004","90","","90","","90","","3178.2","0.18","150","2","150","2","","","","","","","","6","I -4","I -4","82","Compound DL121","","","- C24 H66 K2 N4 O52 W12 -","- C24 H66 K2 N4 O52 W12 -","- C48 H132 K4 N8 O104 W24 -","2","0.25","","De-Liang Long; Hamera Abbas; Paul Kögerler; Leroy Cronin","A High-Nuclearity ""Celtic-Ring"" Isopolyoxotungstate, [H12W36O120]12-, That Captures Trace Potassium Ions","Journal of the American Chemical Society","2004","126","","13880","13881","10.1021/ja046410v","","","0.71073","MoKα","","0.0252","0.0222","","","0.0425","0.0432","","","","","","1.061","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113122","22.9618","0.0003","14.7301","0.0002","22.6265","0.0004","90","","90","","90","","7653","0.2","120","2","120","2","","","","","","","","5","C m c 21","C 2c -2","36","Compound HA162","","","- C36 H98 N6 O58 W12 -","- C36 H60 N6 O58 W12 -","- C144 H240 N24 O232 W48 -","4","0.5","","De-Liang Long; Hamera Abbas; Paul Kögerler; Leroy Cronin","A High-Nuclearity ""Celtic-Ring"" Isopolyoxotungstate, [H12W36O120]12-, That Captures Trace Potassium Ions","Journal of the American Chemical Society","2004","126","","13880","13881","10.1021/ja046410v","","","0.71073","MoKα","","0.041","0.0297","","","0.0638","0.0667","","","","","","1.027","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113123","10.411","0.002","17.363","0.004","13.854","0.002","90","","92.125","0.015","90","","2502.6","0.8","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 N3 Te -","- C30 H25 N3 Te -","- C120 H100 N12 Te4 -","4","1","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn; Ingo Schwab","Organotellurium(VI) Azides and Halides","Journal of the American Chemical Society","2004","126","","14166","14175","10.1021/ja046637q","","","0.71073","MoKα","","0.0403","0.0309","","0.0848","0.0796","","","","1.165","1.189","1.189","","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113124","8.35","0.0015","27.805","0.006","9.803","0.002","90","","114.597","0.013","90","","2069.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N6 Te -","- C24 H16 N6 Te -","- C96 H64 N24 Te4 -","4","1","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn; Ingo Schwab","Organotellurium(VI) Azides and Halides","Journal of the American Chemical Society","2004","126","","14166","14175","10.1021/ja046637q","","","0.71073","MoKα","","0.0398","0.0267","","0.0627","0.0575","","","","1.111","1.142","1.142","","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113125","6.6539","0.0009","7.2989","0.001","7.8195","0.0011","60.502","0.013","66.843","0.012","69.29","0.011","297.77","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 F4 Te -","- C12 H10 F4 Te -","- C12 H10 F4 Te -","1","0.5","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn; Ingo Schwab","Organotellurium(VI) Azides and Halides","Journal of the American Chemical Society","2004","126","","14166","14175","10.1021/ja046637q","","","0.71073","MoKα","","0.022","0.022","","0.054","0.054","","","","1.168","1.168","1.168","","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113126","9.5099","0.0004","9.5868","0.0004","9.5449","0.0004","90","","114.459","0.001","90","","792.11","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 I N2 -","- C18 H19 I N2 -","- C36 H38 I2 N4 -","2","1","","Audris Huang; Jeremy J. Kodanko; Larry E. Overman","Asymmetric Synthesis of Pyrrolidinoindolines. Application for the Practical Total Synthesis of (-)-Phenserine","Journal of the American Chemical Society","2004","126","","14043","14053","10.1021/ja046690e","","","0.71073","MoKα","","0.0154","0.0151","","","0.0384","0.0386","","","","","","1.034","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113127","11.0019","0.0019","22.129","0.004","12.341","0.002","90","","91.705","0.003","90","","3003.2","0.9","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 Br2 N2 O4 -","- C31 H38 Br2 N2 O4 -","- C124 H152 Br8 N8 O16 -","4","1","","Audris Huang; Jeremy J. Kodanko; Larry E. Overman","Asymmetric Synthesis of Pyrrolidinoindolines. Application for the Practical Total Synthesis of (-)-Phenserine","Journal of the American Chemical Society","2004","126","","14043","14053","10.1021/ja046690e","","","0.71073","MoKα","","0.0836","0.0479","","","0.111","0.1253","","","","","","1.027","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113128","25.169","0.003","15.018","0.003","19.429","0.004","90","","93.3","0.02","90","","7332","2","100","","100","","","","","","","","synthetic","5","C 1 2 1","C 2y","5","Ba@C74","endohedral Barium fullerene [74]","","- C122 H56 Ba Co N4 -","- C122 Ba Co N4 -","- C488 Ba4 Co4 N16 -","4","1","","Andreas Reich; Martin Panthöfer; Hartwig Modrow; Ulrich Wedig; Martin Jansen","The Structure of Ba@C74","Journal of the American Chemical Society","2004","126","","14428","14434","10.1021/ja0401693","","x-ray","0.643","synchrotron","","0.265","0.1309","","","0.1455","0.1862","","","","2.93","2.93","2.44","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113129","9.725","0.005","10.608","0.005","11.225","0.005","79.6","0.005","67.79","0.005","71.001","0.005","1011.5","0.8","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C18 H35 B O3 -","- C18 H35 B O3 -","- C36 H70 B2 O6 -","2","1","","Masaharu Nakamura; Takuji Hatakeyama; Kenji Hara; Hiroki Fukudome; Eiichi Nakamura","Sequential Coupling of Zincated Hydrazone, Alkenylboronate, and Electrophile That Creates Several Contiguous Stereogenic Centers","Journal of the American Chemical Society","2004","126","","14344","14345","10.1021/ja044878s","","x-ray","0.71069","MoKα","","0.2049","0.1816","","","0.441","0.5057","","","","","","1.816","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113130","6.891","0.0004","16.614","0.0012","24.756","0.0017","90","","95.8","0.004","90","","2819.7","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 B N2 O3 -","- C26 H47 B N2 O3 -","- C104 H188 B4 N8 O12 -","4","1","","Masaharu Nakamura; Takuji Hatakeyama; Kenji Hara; Hiroki Fukudome; Eiichi Nakamura","Sequential Coupling of Zincated Hydrazone, Alkenylboronate, and Electrophile That Creates Several Contiguous Stereogenic Centers","Journal of the American Chemical Society","2004","126","","14344","14345","10.1021/ja044878s","","x-ray","0.71073","MoKα","","0.0939","0.0762","","","0.2186","0.2461","","","","","","1.052","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113131","9.744","0.001","12.409","0.0008","15.523","0.0015","91.937","0.005","105.989","0.004","107.197","0.005","1710","0.3","153","2","153","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C40 H44 O4 -","- C40 H44 O4 -","- C80 H88 O8 -","2","1","","Masaharu Nakamura; Takuji Hatakeyama; Kenji Hara; Hiroki Fukudome; Eiichi Nakamura","Sequential Coupling of Zincated Hydrazone, Alkenylboronate, and Electrophile That Creates Several Contiguous Stereogenic Centers","Journal of the American Chemical Society","2004","126","","14344","14345","10.1021/ja044878s","","x-ray","0.71073","MoKα","","0.1042","0.0864","","","0.2585","0.283","","","","","","1.083","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113132","11.2403","0.0013","14.5902","0.001","13.2472","0.0009","90","","98.325","0.007","90","","2149.6","0.3","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cu(I)PETAEA","","","- C23 H27 Cu N4 O2 S -","- C23 H27 Cu N4 O2 S -","- C92 H108 Cu4 N16 O8 S4 -","4","1","","Jocelyn M. Goodwin; Marilyn M. Olmstead; Timothy E. Patten","Identification and Characterization of Monoanionic Tripodal Tetradentate Ligand Complexes of Copper(I) and Copper(II) Involved in Halogen Atom Transfer Reactions","Journal of the American Chemical Society","2004","126","","14352","14353","10.1021/ja045003g","","","1.54178","CuKα","","0.0747","0.0506","","","0.1104","0.1241","","","","","","1.022","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113133","9.156","0.002","10.049","0.003","30.571","0.008","90","","96.566","0.006","90","","2794.3","1.3","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","BrCu(PETAEA)^.^THF","","","- C27 H35 Br Cu N4 O3 S -","- C27 H35 Br Cu N4 O3 S -","- C108 H140 Br4 Cu4 N16 O12 S4 -","4","1","","Jocelyn M. Goodwin; Marilyn M. Olmstead; Timothy E. Patten","Identification and Characterization of Monoanionic Tripodal Tetradentate Ligand Complexes of Copper(I) and Copper(II) Involved in Halogen Atom Transfer Reactions","Journal of the American Chemical Society","2004","126","","14352","14353","10.1021/ja045003g","","","0.71073","MoKα","","0.1517","0.0561","","","0.1038","0.1266","","","","","","0.811","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113134","9.021","0.001","11.1799","0.0008","13.772","0.002","104.489","0.004","106.513","0.001","102.553","0.002","1225.5","0.2","294.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N3 O6 -","- C26 H25 N3 O6 -","- C52 H50 N6 O12 -","2","1","","Masanari Kimura; Atsuko Miyachi; Keisuke Kojima; Shuji Tanaka; Yoshinao Tamaru","Highly Stereo- and Regioselective Ni-Catalyzed Homoallylation of Aldimines with Conjugated Dienes Promoted by Diethylzinc","Journal of the American Chemical Society","2004","126","","14360","14361","10.1021/ja0450354","","","0.7107","MoKα","","","0.0681","","","","0.2053","","","","","","2.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113135","9.321","0.001","10.529","0.002","13.773","0.002","101.263","0.001","102.727","0.001","109.344","0.004","1190","0.3","295.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N3 O7 -","- C24 H23 N3 O7 -","- C48 H46 N6 O14 -","2","1","","Masanari Kimura; Atsuko Miyachi; Keisuke Kojima; Shuji Tanaka; Yoshinao Tamaru","Highly Stereo- and Regioselective Ni-Catalyzed Homoallylation of Aldimines with Conjugated Dienes Promoted by Diethylzinc","Journal of the American Chemical Society","2004","126","","14360","14361","10.1021/ja0450354","","","0.7107","MoKα","","","0.0546","","","","0.1166","","","","","","1.923","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113136","9.87","0.001","11.484","0.001","11.648","0.001","81.769","0.003","79.671","0.002","65.0219","0.0008","1174.01","0.19","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H27 N3 O6 -","- C23 H27 N3 O6 -","- C46 H54 N6 O12 -","2","1","","Masanari Kimura; Atsuko Miyachi; Keisuke Kojima; Shuji Tanaka; Yoshinao Tamaru","Highly Stereo- and Regioselective Ni-Catalyzed Homoallylation of Aldimines with Conjugated Dienes Promoted by Diethylzinc","Journal of the American Chemical Society","2004","126","","14360","14361","10.1021/ja0450354","","","0.7107","MoKα","","","0.054","","","","0.1724","","","","","","2.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113137","9.4444","0.0004","10.749","0.001","13.384","0.002","100.714","0.004","100.568","0.003","109.558","0.002","1212.9","0.2","297.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N3 O7 -","- C25 H25 N3 O7 -","- C50 H50 N6 O14 -","2","1","","Masanari Kimura; Atsuko Miyachi; Keisuke Kojima; Shuji Tanaka; Yoshinao Tamaru","Highly Stereo- and Regioselective Ni-Catalyzed Homoallylation of Aldimines with Conjugated Dienes Promoted by Diethylzinc","Journal of the American Chemical Society","2004","126","","14360","14361","10.1021/ja0450354","","","0.7107","MoKα","","","0.0612","","","","0.1882","","","","","","1.616","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113138","11.536","0.002","14.0279","0.0017","14.279","0.003","94.746","0.018","111.785","0.015","108.13","0.012","1987.1","0.7","153","2","153","2","","","","","","","","9","P -1","-P 1","2","","","","- C74 H68 B2 Cl8 F8 O4 P4 Rh2 S2 -","- C74 H68 B2 Cl8 F8 O4 P4 Rh2 S2 -","- C74 H68 B2 Cl8 F8 O4 P4 Rh2 S2 -","1","0.5","","Aaron M. Brown; Maxim V. Ovchinnikov; Charlotte L. Stern; Chad A. Mirkin","Halide-Induced Supramolecular Ligand Rearrangement","Journal of the American Chemical Society","2004","126","","14316","14317","10.1021/ja045316b","","","0.71073","MoKα","","0.0642","0.0497","","","0.1329","0.1443","","","","","","1.105","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113139","9.8954","0.0006","12.8828","0.0008","17.6478","0.0011","68.85","0.001","89.356","0.001","81.645","0.001","2073.9","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H80 Cl10 O2 P4 Rh2 S2 -","- C84 H80 Cl10 O2 P4 Rh2 S2 -","- C84 H80 Cl10 O2 P4 Rh2 S2 -","1","0.5","","Aaron M. Brown; Maxim V. Ovchinnikov; Charlotte L. Stern; Chad A. Mirkin","Halide-Induced Supramolecular Ligand Rearrangement","Journal of the American Chemical Society","2004","126","","14316","14317","10.1021/ja045316b","","","0.71073","MoKα","","0.0508","0.0439","","","0.1199","0.1262","","","","","","1.063","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113140","32.486","0.006","32.486","0.006","12.05","0.003","90","","90","","90","","12717","5","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C68 H64 Cl2 O4 P4 Rh2 S2 -","- C68 H64 Cl2 O4 P4 Rh2 S2 -","- C544 H512 Cl16 O32 P32 Rh16 S16 -","8","0.5","","Aaron M. Brown; Maxim V. Ovchinnikov; Charlotte L. Stern; Chad A. Mirkin","Halide-Induced Supramolecular Ligand Rearrangement","Journal of the American Chemical Society","2004","126","","14316","14317","10.1021/ja045316b","","","0.71073","MoKα","","0.2825","0.1324","","","0.2799","0.3427","","","","","","1.006","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113141","6.968","0.0002","10.4305","0.0002","11.6086","0.0003","90","","91.368","0.002","90","","843.47","0.04","100","2","100","2","","","","","","","synthesis","3","P 1 21 1","P 2yb","4","","3,4-diisopropylidene-6-(4-methoxyphenyl)cycloheptanone","","- C20 H26 O2 -","- C20 H26 O2 -","- C40 H52 O4 -","2","1","","José Barluenga; Rubén Vicente; Pablo Barrio; Luis A. López; Miguel Tomás; Javier Borge","Specific Synthesis of 1,2- and 1,3-Dialkylidenecycloheptanes by [3+2+2] Cyclization of Alkenyl Fischer Carbene Complexes and Allenes","Journal of the American Chemical Society","2004","126","","14354","14355","10.1021/ja045459y","","","1.54184","CuKα","","0.059","0.0563","","","0.1574","0.1614","","","","","","1.085","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113142","21.563","0.0002","9.077","0.0002","10.099","0.0007","90","","101.49","0.0011","90","","1937.04","0.14","293","2","293","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","6-ferrocenyl-2-4-diisopropylidenecycloheptanone","","- C23 H28 Fe O -","- C23 H28 Fe O -","- C92 H112 Fe4 O4 -","4","1","","José Barluenga; Rubén Vicente; Pablo Barrio; Luis A. López; Miguel Tomás; Javier Borge","Specific Synthesis of 1,2- and 1,3-Dialkylidenecycloheptanes by [3+2+2] Cyclization of Alkenyl Fischer Carbene Complexes and Allenes","Journal of the American Chemical Society","2004","126","","14354","14355","10.1021/ja045459y","","","0.71073","MoKα","","0.0897","0.0583","","","0.1525","0.1777","","","","","","1.056","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113143","10.7711","0.0012","23.42","0.003","11.5021","0.0012","90","","112.638","0.002","90","","2678","0.5","168","2","168","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 Er2 N6 O2 Si8 -","- C32 H88 Er2 N6 O2 Si8 -","- C64 H176 Er4 N12 O4 Si16 -","2","0.5","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.0361","0.0315","","","0.0789","0.0817","","","","","","1.089","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113144","10.8206","0.0008","23.4274","0.0016","11.5654","0.0008","90","","112.641","0.001","90","","2705.9","0.3","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 N6 O2 Si8 Tb2 -","- C32 H88 N6 O2 Si8 Tb2 -","- C64 H176 N12 O4 Si16 Tb4 -","2","0.5","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.0251","0.0234","","","0.0502","0.0507","","","","","","1.159","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113145","10.8414","0.0018","23.469","0.004","11.5946","0.0019","90","","112.585","0.003","90","","2723.9","0.8","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 Gd2 N6 O2 Si8 -","- C32 H88 Gd2 N6 O2 Si8 -","- C64 H176 Gd4 N12 O4 Si16 -","2","0.5","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.0312","0.0223","","","0.047","0.05","","","","","","1.068","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113146","47.804","0.005","23.067","0.002","24.033","0.003","90","","90","","90","","26501","5","163","2","163","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C44 H114 Ce N4 Na O5 Si8 -","- C44 H72 Ce N4 Na O5 Si8 -","- C704 H1152 Ce16 N64 Na16 O80 Si128 -","16","2","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.0941","0.0608","","","0.1411","0.1657","","","","","","1.065","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113147","26.627","0.003","30.59","0.003","17.3452","0.0019","90","","91.169","0.002","90","","14125","3","183","2","183","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H120 K N4 O6 Pr Si8 -","- C48 H120 K N4 O6 Pr Si8 -","- C384 H960 K8 N32 O48 Pr8 Si64 -","8","1","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.126","0.0904","","","0.2576","0.2878","","","","","","1.071","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113148","26.623","0.003","30.624","0.003","17.3572","0.0017","90","","91.339","0.002","90","","14148","3","163","2","163","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H120 K La N4 O6 Si8 -","- C48 H120 K La N4 O6 Si8 -","- C384 H960 K8 La8 N32 O48 Si64 -","8","1","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.0987","0.0662","","","0.1806","0.2144","","","","","","1.06","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113149","10.897","0.0005","23.5933","0.001","11.687","0.0005","90","","112.687","0.001","90","","2772.2","0.2","175","2","175","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 N6 Nd2 O2 Si8 -","- C32 H88 N6 Nd2 O2 Si8 -","- C64 H176 N12 Nd4 O4 Si16 -","2","0.5","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.0202","0.0186","","","0.0454","0.0461","","","","","","1.1","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113150","26.63","0.005","30.601","0.005","17.379","0.003","90","","91.613","0.003","90","","14157","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H120 K N4 O6 Si8 U -","- C48 H120 K N4 O6 Si8 U -","- C384 H960 K8 N32 O48 Si64 U8 -","8","1","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.1083","0.0578","","","0.1446","0.1785","","","","","","1.05","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113151","17.3074","0.0016","10.7815","0.001","23.129","0.002","90","","94.617","0.002","90","","4301.9","0.7","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C49 H73 U2 -","- C49 H73 U2 -","- C196 H292 U8 -","4","1","","William J. Evans; Stosh A. Kozimor; Joseph W. Ziller; Nikolas Kaltsoyannis","Structure, Reactivity, and Density Functional Theory Analysis of the Six-Electron Reductant, [(C5Me5)2U]2(μ-η6:η6-C6H6), Synthesized via a New Mode of (C5Me5)3M Reactivity","Journal of the American Chemical Society","2004","126","","14533","14547","10.1021/ja0463886","","","0.71073","MoKα","","0.0925","0.0646","","","0.165","0.191","","","","","","1.088","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113152","8.603","0.0016","11.624","0.002","13.269","0.003","107.46","0.003","99.515","0.003","90.328","0.003","1246.2","0.4","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H86 N2 Si4 U2 -","- C44 H86 N2 Si4 U2 -","- C44 H86 N2 Si4 U2 -","1","0.5","","William J. Evans; Stosh A. Kozimor; Joseph W. Ziller; Nikolas Kaltsoyannis","Structure, Reactivity, and Density Functional Theory Analysis of the Six-Electron Reductant, [(C5Me5)2U]2(μ-η6:η6-C6H6), Synthesized via a New Mode of (C5Me5)3M Reactivity","Journal of the American Chemical Society","2004","126","","14533","14547","10.1021/ja0463886","","","0.71073","MoKα","","0.0186","0.0168","","","0.0432","0.052","","","","","","1.174","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113153","12.932","0.002","17.383","0.002","19.398","0.002","90","","90","","90","","4360.6","1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O3 -","- C24 H26 N2 O3 -","- C192 H208 N16 O24 -","8","2","","Klas Källström; Christian Hedberg; Peter Brandt; Annette Bayer; Pher G. Andersson","Rationally Designed Ligands for Asymmetric Iridium-Catalyzed Hydrogenation of Olefins","Journal of the American Chemical Society","2004","126","","14308","14309","10.1021/ja0464241","","","0.71069","MoKα","","0.0907","0.0355","","","0.0814","0.0954","","","","","","0.989","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113154","14.244","0.007","19.825","0.01","19.945","0.01","90","","90","","90","","5632","5","100","2","273","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C62 H65 Cl2 Fe2 N2 Ni O8 P3 -","- C62 H65 Cl2 Fe2 N2 Ni O8 P3 -","- C248 H260 Cl8 Fe8 N8 Ni4 O32 P12 -","4","1","","Aaron D. Sadow; Isabelle Haller; Luca Fadini; Antonio Togni","Nickel(II)-Catalyzed Highly Enantioselective Hydrophosphination of Methacrylonitrile","Journal of the American Chemical Society","2004","126","","14704","14705","10.1021/ja0449574","","","0.71073","MoKα","","0.0418","0.0385","","","0.0926","0.0941","","","","","","1.092","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113155","8.9815","0.0006","15.1441","0.0011","19.2553","0.0014","90","","90","","90","","2619","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 Cl N2 P Pd -","- C26 H40 Cl N2 P Pd -","- C104 H160 Cl4 N8 P4 Pd4 -","4","1","","Aaron D. Sadow; Isabelle Haller; Luca Fadini; Antonio Togni","Nickel(II)-Catalyzed Highly Enantioselective Hydrophosphination of Methacrylonitrile","Journal of the American Chemical Society","2004","126","","14704","14705","10.1021/ja0449574","","","0.71073","MoKα","","0.0356","0.0342","","","0.0826","0.0831","","","","","","1.052","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113156","11.44","0.002","16.326","0.003","41.174","0.008","90","","90","","90","","7690","2","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H57 Cl N2 P Pd -","- C44 H57 Cl N2 P Pd -","- C352 H456 Cl8 N16 P8 Pd8 -","8","2","","Aaron D. Sadow; Isabelle Haller; Luca Fadini; Antonio Togni","Nickel(II)-Catalyzed Highly Enantioselective Hydrophosphination of Methacrylonitrile","Journal of the American Chemical Society","2004","126","","14704","14705","10.1021/ja0449574","","","0.71073","MoKα","","0.1526","0.09","","","0.1237","0.1431","","","","","","0.983","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113157","20.526","0.014","3.718","0.003","15.506","0.01","90","","106.681","0.01","90","","1133.6","1.4","323","2","323","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","PDTA","1,3,2-Dithiazolo[4,5-b]pyrazin-2-yl","","- C4 H2 N3 S2 -","- C4 H2 N3 S2 -","- C32 H16 N24 S16 -","8","1","","Jaclyn L. Brusso; Owen P. Clements; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; John F. Richardson","Bistability and the Phase Transition in 1,3,2-Dithiazolo[4,5-b]pyrazin-2-yl","Journal of the American Chemical Society","2004","126","","14692","14693","10.1021/ja044979q","","","0.71073","MoKα","","0.1927","0.0792","","","0.1566","0.1913","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113158","7.052","0.0013","7.9277","0.0013","11.4931","0.0014","69.953","0.002","75.202","0.011","76.34","0.01","575.72","0.16","323","2","323","2","","","","","","","","4","P -1","-P 1","2","PDTA","1,3,2-Dithiazolo[4,5-b]pyrazin-2-yl","","- C4 H2 N3 S2 -","- C4 H2 N3 S2 -","- C16 H8 N12 S8 -","4","2","","Jaclyn L. Brusso; Owen P. Clements; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; John F. Richardson","Bistability and the Phase Transition in 1,3,2-Dithiazolo[4,5-b]pyrazin-2-yl","Journal of the American Chemical Society","2004","126","","14692","14693","10.1021/ja044979q","","","0.71073","MoKα","","0.1139","0.0565","","","0.0993","0.1124","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113159","12.4276","0.0018","17.482","0.002","22.792","0.003","108.535","0.004","93.198","0.006","110.092","0.006","4332.8","1","93","2","93","2","","","","","","","","7","P -1","-P 1","2","(Et4N)[Ni(NpPepS)Cu(neo)].0.5Et2O.0.5H2O","","","- C48 H49.5 Cu N5 Ni O3 S2 -","- C48 H48.5 Cu N5 Ni O3 S2 -","- C192 H194 Cu4 N20 Ni4 O12 S8 -","4","2","","Todd C. Harrop; Marilyn M. Olmstead; Pradip K. Mascharak","Structural Models of the Bimetallic Subunit at the A-Cluster of Acetyl Coenzyme A Synthase/CO Dehydrogenase: Binuclear Sulfur-Bridged Ni-Cu and Ni-Ni Complexes and Their Reactions with CO","Journal of the American Chemical Society","2004","126","","14714","14715","10.1021/ja045284s","","","0.71073","MoKα","","0.1228","0.0573","","","0.1332","0.1705","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113160","14.0656","0.0005","17.3249","0.0006","17.537","0.0006","90","","90.61","0.003","90","","4273.3","0.3","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Ni(PhPepS)Ni(dppe)].CH2Cl2","","","- C47 H38 Cl2 N2 Ni2 O2 P2 S2 -","- C47 H38 Cl2 N2 Ni2 O2 P2 S2 -","- C188 H152 Cl8 N8 Ni8 O8 P8 S8 -","4","1","","Todd C. Harrop; Marilyn M. Olmstead; Pradip K. Mascharak","Structural Models of the Bimetallic Subunit at the A-Cluster of Acetyl Coenzyme A Synthase/CO Dehydrogenase: Binuclear Sulfur-Bridged Ni-Cu and Ni-Ni Complexes and Their Reactions with CO","Journal of the American Chemical Society","2004","126","","14714","14715","10.1021/ja045284s","","","0.71073","MoKα","","0.0461","0.0312","","","0.0723","0.0793","","","","","","1.001","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113161","12.6126","0.0009","19.7239","0.0014","14.6251","0.001","90","","109.9","0.006","90","","3421","0.4","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Et4N)2[Ni(PhPepS)]","","","- C36 H52 N4 Ni O2 S2 -","- C36 H52 N4 Ni O2 S2 -","- C144 H208 N16 Ni4 O8 S8 -","4","1","","Todd C. Harrop; Marilyn M. Olmstead; Pradip K. Mascharak","Structural Models of the Bimetallic Subunit at the A-Cluster of Acetyl Coenzyme A Synthase/CO Dehydrogenase: Binuclear Sulfur-Bridged Ni-Cu and Ni-Ni Complexes and Their Reactions with CO","Journal of the American Chemical Society","2004","126","","14714","14715","10.1021/ja045284s","","","0.71073","MoKα","","0.078","0.0449","","","0.1029","0.1164","","","","","","1.01","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113162","9.1642","0.0018","15.136","0.003","20.242","0.004","90","","96.767","0.004","90","","2788.2","1","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H50 Cl6 Cr2 N2 P4 -","- C60 H50 Cl6 Cr2 N2 P4 -","- C120 H100 Cl12 Cr4 N4 P8 -","2","0.5","","Annette Bollmann; Kevin Blann; John T. Dixon; Fiona M. Hess; Esna Killian; Hulisani Maumela; David S. McGuinness; David H. Morgan; Arno Neveling; Stefanus Otto; Matthew Overett; Alexandra M. Z. Slawin; Peter Wasserscheid; Sven Kuhlmann","Ethylene Tetramerization: A New Route to Produce 1-Octene in Exceptionally High Selectivities","Journal of the American Chemical Society","2004","126","","14712","14713","10.1021/ja045602n","","","0.71073","MoKα","","0.2176","0.0711","","","0.1012","0.1366","","","","","","0.867","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113163","16.4403","0.0013","8.5815","0.0007","17.9757","0.0014","90","","112.649","0.002","90","","2340.5","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 N4 Ti -","- C24 H38 N4 Ti -","- C96 H152 N16 Ti4 -","4","0.5","","Tamara E. Hanna; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Activation by Titanium Sandwich Complexes","Journal of the American Chemical Society","2004","126","","14688","14689","10.1021/ja045884r","","","0.71073","MoKα","","0.0675","0.0428","","","0.0983","0.1077","","","","","","1.03","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113164","16.1895","0.0013","10.3998","0.0009","21.2941","0.0018","90","","92.68","0.002","90","","3581.3","0.5","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","CP3","1,8-Bis(3,3'-bis(3,5-dimethylphenyl)-9,9'-diacridyl) naphthalene","","- C52 H38 N2 -","- C52 H38 N2 -","- C208 H152 N8 -","4","0.5","","Xuefeng Mei; Christian Wolf","Enantioselective Sensing of Chiral Carboxylic Acids","Journal of the American Chemical Society","2004","126","","14736","14737","10.1021/ja0459781","","","0.71073","MoKα","","0.0697","0.0485","","","0.1122","0.119","","","","","","1.087","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113165","30.8915","0.0015","13.9299","0.0007","26.4715","0.0013","90","","107.957","0.001","90","","10836.2","0.9","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Mo2(DAniF)3]2(C4H6N2O2),4(ClCH2CH2Cl)","","","- C102 H112 Cl8 Mo4 N14 O14 -","- C102 H112 Cl8 Mo4 N14 O14 -","- C408 H448 Cl32 Mo16 N56 O56 -","4","1","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Strong Electronic Coupling between Dimolybdenum Units Linked by the N,N'-Dimethyloxamidate Anion in a Molecule Having a Heteronaphthalene-like Structure","Journal of the American Chemical Society","2004","126","","14822","14831","10.1021/ja046775f","","","0.71073","MoKα","","0.0584","0.0443","","","0.0999","0.1096","","","","","","1.113","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113166","14.3138","0.0012","15.6456","0.0014","29.435","0.003","74.917","0.0017","77.5606","0.0019","80.3525","0.0018","6171.8","1","213","2","213","2","","","","","","","","7","P -1","-P 1","2","[Mo2(DAniF)3]2(C4H6N2O2)(PF6),6(THF)","","","- C118 H144 F6 Mo4 N14 O20 P -","- C118 H144 F6 Mo4 N14 O20 P -","- C236 H288 F12 Mo8 N28 O40 P2 -","2","1","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Strong Electronic Coupling between Dimolybdenum Units Linked by the N,N'-Dimethyloxamidate Anion in a Molecule Having a Heteronaphthalene-like Structure","Journal of the American Chemical Society","2004","126","","14822","14831","10.1021/ja046775f","","","0.71073","MoKα","","0.1505","0.0888","","","0.1783","0.2032","","","","","","1.104","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113167","12.4174","0.0012","15.1905","0.0015","15.8439","0.0016","103.991","0.002","90.298","0.002","109.837","0.002","2715.4","0.5","213","2","213","2","","","","","","","","8","P -1","-P 1","2","[Mo2(DAniF)3]2(dimethyloxamidate)(PF6)2,3(CH2Cl2)","","","- C97 H102 Cl6 F12 Mo4 N14 O14 P2 -","- C97 H96 Cl6 F12 Mo4 N14 O14 P2 -","- C97 H96 Cl6 F12 Mo4 N14 O14 P2 -","1","0.5","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Strong Electronic Coupling between Dimolybdenum Units Linked by the N,N'-Dimethyloxamidate Anion in a Molecule Having a Heteronaphthalene-like Structure","Journal of the American Chemical Society","2004","126","","14822","14831","10.1021/ja046775f","","","0.71073","MoKα","","0.0368","0.0305","","","0.0775","0.0834","","","","","","1.049","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113168","14.6308","0.0003","17.4197","0.0004","32.8142","0.0003","90","","90","","90","","8363.2","0.3","163.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H39 P2 Re -","- C18 H39 P2 Re -","- C288 H624 P32 Re16 -","16","2","","Jennifer R. Krumper; Richard L. Martin; P. Jeffrey Hay; Cathleen M. Yung; John Veltheer; Robert G. Bergman","Synthesis and Reactivity of the Hydrido- and Alkylrhenium Methylidene Complexes Cp*(PMe3)2(R)ReCH2 (R = H, CH3)","Journal of the American Chemical Society","2004","126","","14804","14815","10.1021/ja0468877","","","0.7107","MoKα","","","0.0326","","","","0.0394","","","","","","1.559","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113169","12.2338","0.0003","12.9077","0.0003","18.1496","0.0004","102.179","0.001","93.149","0.001","96.009","0.001","2777.35","0.11","170.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H50 B F24 P2 Re -","- C50 H50 B F24 P2 Re -","- C100 H100 B2 F48 P4 Re2 -","2","1","","Jennifer R. Krumper; Richard L. Martin; P. Jeffrey Hay; Cathleen M. Yung; John Veltheer; Robert G. Bergman","Synthesis and Reactivity of the Hydrido- and Alkylrhenium Methylidene Complexes Cp*(PMe3)2(R)ReCH2 (R = H, CH3)","Journal of the American Chemical Society","2004","126","","14804","14815","10.1021/ja0468877","","","0.7107","MoKα","","","0","","","","0.047","","","","","","1.929","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113170","13.614","0.007","14.605","0.007","19.985","0.01","89.78","0.01","88.377","0.009","87.122","0.01","3967","3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C86 H126 O2 -","- C86 H126 O2 -","- C172 H252 O4 -","2","1","","Tinh-Alfredo V. Khuong; Gerardo Zepeda; Carlos N. Sanrame; Hung Dang; Michael D. Bartberger; K. N. Houk; Miguel A. Garcia-Garibay","Crankshaft Motion in a Highly Congested Bis(triarylmethyl)peroxide","Journal of the American Chemical Society","2004","126","","14778","14786","10.1021/ja046987c","","","0.71073","MoKα","","0.1021","0.0476","","","0.1077","0.1274","","","","","","0.912","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113171","23.117","0.0016","13.6467","0.0009","13.206","0.0009","90","","90.396","0.002","90","","4166","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H35 N3 O -","- C21 H35 N3 O -","- C168 H280 N24 O8 -","8","2","","Douglas C. Behenna; Brian M. Stoltz","The Enantioselective Tsuji Allylation","Journal of the American Chemical Society","2004","126","","15044","15045","10.1021/ja044812x","","","0.71073","MoKα","","0.1657","0.0873","","","0.149","0.1573","","","","","","1.972","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4113172","13.4105","0.0011","13.4433","0.0011","24.353","0.002","90","","90","","90","","4390.4","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H37 N3 O -","- C22 H37 N3 O -","- C176 H296 N24 O8 -","8","2","","Douglas C. Behenna; Brian M. Stoltz","The Enantioselective Tsuji Allylation","Journal of the American Chemical Society","2004","126","","15044","15045","10.1021/ja044812x","","","0.71073","MoKα","","0.133","0.0842","","","0.1195","0.1224","","","","","","2.208","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4113173","10.4025","0.0012","10.4025","0.0012","55.489","0.009","90","","90","","90","","6004.6","1.4","98","2","98","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C30 H36 B F4 N3 Pt -","- C30 H36 B F4 N3 Pt -","- C240 H288 B8 F32 N24 Pt8 -","8","1","","Alan F. Heyduk; Tom G. Driver; Jay A. Labinger; John E. Bercaw","Kinetic and Thermodynamic Preferences in Aryl vs Benzylic C-H Bond Activation with Cationic Pt(II) Complexes","Journal of the American Chemical Society","2004","126","","15034","15035","10.1021/ja045078k","","","0.71073","MoKα","","0.0318","0.0296","","","0.0629","0.0635","","","","","","1.227","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113174","15.2398","0.0003","11.5499","0.0002","20.1497","0.0004","90","","90","","90","","3546.71","0.12","100","","100","","","","","","","","dichloromethane/diethylether","6","P b c a","-P 2ac 2ab","61","IBiox5.HOTf","Dispiro(cyclopentane-1,3'-(1,3)oxazolo(3',2':3,4)imidazolo(5,1-b)(1,3) oxazole-7',1""-cyclopentane) trifluoromethylsulfonate","","- C16 H21 F3 N2 O5 S -","- C16 H21 F3 N2 O5 S -","- C128 H168 F24 N16 O40 S8 -","8","1","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.0879","0.0591","","","0.1162","0.127","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113175","10.1279","0.0002","11.7194","0.0002","18.5299","0.0003","97.467","0.001","94.902","0.001","97.53","0.001","2150.13","0.07","100","","100","","","","","","","","dichloromethane/diethylether","6","P -1","-P 1","2","IBiox7.HOTf","cycloheptane-1,3'-(1,3)oxazolo(3',2':3,4)imidazoliumo(5,1-b)(1,3) oxazole-7',1""-cycloheptane trifluoromethylsulphonate","","- C20 H29 F3 N2 O5 S -","- C20 H28.773 F3 N2 O5 S -","- C80 H115.092 F12 N8 O20 S4 -","4","2","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.1373","0.078","","","0.1685","0.1968","","","","","","1.013","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113176","10.5042","0.0001","21.4698","0.0003","10.3191","0.0001","90","","96.415","0.001","90","","2312.62","0.05","100","","100","","","","","","","","dichloromethane/hexane/diethylether","6","P 1 21/c 1","-P 2ybc","14","IBiox8.HOTf","Dispiro(cyclooctanane-1,3'-(1,3)oxazolo(3',2':3,4)imidazolo(5,1-b)(1,3) oxazole-7',1""-cyclooctane) trifluoromethylsulfonate","","- C22 H33 F3 N2 O5 S -","- C22 H33 F3 N2 O5 S -","- C88 H132 F12 N8 O20 S4 -","4","1","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.0567","0.0448","","","0.1232","0.1333","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113177","14.6777","0.0004","25.7698","0.0007","9.1906","0.0002","90","","90","","90","","3476.27","0.15","150","","150","","","","","","","","dichloromethane / heptane","7","P n m a","-P 2ac 2n","62","IBiox12.HOTf","4,7-di(spiro-cyclododecane)-6,9-dioxa-1,3-diazatricyclo[6.3.0.0^3,7^]- unadeca-7-ene-2-ium trifluoromethanesulfonate dichloromethane solvate","","- C31 H51 Cl2 F3 N2 O5 S -","- C31 H49 Cl1.98 F3 N2 O5 S -","- C124 H196 Cl7.92 F12 N8 O20 S4 -","4","0.5","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.1128","0.064","","","0.1455","0.1701","","","","","","1.041","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113178","13.1029","0.0002","9.5315","0.0001","16.4726","0.0002","90","","105.399","0.001","90","","1983.41","0.04","100","","100","","","","","","","","d6-benzene","6","P 1 21/n 1","-P 2yn","14","(IBiox6)Ir(CO)2Cl","Dispiro(cyclohexane-1,3'-(1,3)oxazolo(3',2':3,4)imidazolo(5,1-b)(1,3) oxazole-7',1""-cyclohexane-5'-ylidine))-dicarbonyl-chloro-iridium","","- C19 H24 Cl Ir N2 O4 -","- C19 H24 Cl Ir N2 O4 -","- C76 H96 Cl4 Ir4 N8 O16 -","4","1","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.0305","0.0226","","","0.0569","0.0685","","","","","","1.177","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113179","13.2368","0.0002","11.6748","0.0001","13.6306","0.0001","90","","97.3395","0.0004","90","","2089.17","0.04","100","","100","","","","","","","","dichloromethane/hexane/ethylacetate","6","P 1 21/n 1","-P 2yn","14","((Ibiox7)PdCl2)2","Bis[Dispiro(cycloheptane-1,3'-(1,3)oxazolo(3',2':3,4)- imidazolo(5,1-b)(1,3)oxazole-7',1""-cycloheptane-5'-ylidine)-dichloro- palladium]","","- C38 H56 Cl4 N4 O4 Pd2 -","- C38 H56 Cl4 N4 O4 Pd2 -","- C76 H112 Cl8 N8 O8 Pd4 -","2","0.5","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.0317","0.0282","","","0.0668","0.0687","","","","","","1.053","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113180","31.189","0.0017","8.7086","0.0004","23.9041","0.0011","90","","94.711","0.002","90","","6470.7","0.5","100","","100","","","","","","","","dichloromethane/hexane","6","C 1 2/c 1","-C 2yc","15","((Ibiox12)PdCl2)2 hexane sovate","Bis[dispiro(cyclododecane-1,3'-(1,3)oxazolo(3',2':3,4)imidazolo(5,1-b)(1,3) oxazole-7',1""-cyclododecane-5'-ylidine)-dichloro-palladium] hexane solvate","","- C66 H114.75 Cl4 N4 O4 Pd2 -","- C65.96 Cl4 N4 O4 Pd2 -","- C263.84 Cl16 N16 O16 Pd8 -","4","0.5","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.1362","0.082","","","0.191","0.2211","","","","","","1.044","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113181","9.2288","0.0002","9.9771","0.0002","17.2853","0.0003","90","","93.873","0.001","90","","1587.94","0.05","100","","100","","","","","","","","dichloromethane/pentane","6","P 1 21/c 1","-P 2ybc","14","IBiox(Me)4.HOTf","4,4,11,11-tetramethyl-6,9-dioxa-1,3-diazatricyclo[6.3.0.0^3,7^]undeca- 7-ene-2-onium trifluoromethanesulfonate","","- C12 H17 F3 N2 O5 S -","- C12 H17 F3 N2 O5 S -","- C48 H68 F12 N8 O20 S4 -","4","1","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.0893","0.0552","","","0.1599","0.1878","","","","","","0.974","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113182","19.699","0.002","13.0798","0.0015","17.734","0.002","90","","90","","90","","4569.3","0.9","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","01013b","","","- C29 H37 Br4 Cl3 S6 Si4 -","- C29 H37 Br4 Cl3 S6 Si4 -","- C116 H148 Br16 Cl12 S24 Si16 -","4","0.5","","Andrzej Rajca; Makoto Miyasaka; Maren Pink; Hua Wang; Suchada Rajca","Helically Annelated and Cross-Conjugated Oligothiophenes: Asymmetric Synthesis, Resolution, and Characterization of a Carbon-Sulfur [7]Helicene","Journal of the American Chemical Society","2004","126","","15211","15222","10.1021/ja0462530","","","0.71073","MoKα","","0.0796","0.0488","","","0.1113","0.133","","","","","","1.02","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113183","18.6063","0.0006","23.7325","0.0008","18.6074","0.0006","90","","90","","90","","8216.5","0.5","112","2","112","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H36 Br4 S6 Si4 -","- C28 H36 Br4 S6 Si4 -","- C224 H288 Br32 S48 Si32 -","8","1","","Andrzej Rajca; Makoto Miyasaka; Maren Pink; Hua Wang; Suchada Rajca","Helically Annelated and Cross-Conjugated Oligothiophenes: Asymmetric Synthesis, Resolution, and Characterization of a Carbon-Sulfur [7]Helicene","Journal of the American Chemical Society","2004","126","","15211","15222","10.1021/ja0462530","","","0.71073","MoKα","","0.039","0.0303","","","0.0676","0.0716","","","","","","1.031","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113184","8.1993","0.0003","10.5684","0.0004","18.3955","0.0007","91.34","0.001","92.771","0.001","110.617","0.001","1488.81","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 Br4 S14 Si4 -","- C50 H42 Br4 S14 Si4 -","- C50 H42 Br4 S14 Si4 -","1","0.5","","Andrzej Rajca; Makoto Miyasaka; Maren Pink; Hua Wang; Suchada Rajca","Helically Annelated and Cross-Conjugated Oligothiophenes: Asymmetric Synthesis, Resolution, and Characterization of a Carbon-Sulfur [7]Helicene","Journal of the American Chemical Society","2004","126","","15211","15222","10.1021/ja0462530","","","0.71073","MoKα","","0.0401","0.0295","","","0.0698","0.0736","","","","","","1.029","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113185","12.471","0.003","13.846","0.003","31.152","0.007","90","","90","","90","","5379","2","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Br2 S7 Si2 -","- C22 H18 Br2 S7 Si2 -","- C176 H144 Br16 S56 Si16 -","8","1","","Andrzej Rajca; Makoto Miyasaka; Maren Pink; Hua Wang; Suchada Rajca","Helically Annelated and Cross-Conjugated Oligothiophenes: Asymmetric Synthesis, Resolution, and Characterization of a Carbon-Sulfur [7]Helicene","Journal of the American Chemical Society","2004","126","","15211","15222","10.1021/ja0462530","","","0.71073","MoKα","","0.082","0.0678","","","0.1379","0.1421","","","","","","1.31","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113186","9.7758","0.0002","26.2874","0.0006","26.0709","0.0006","90","","100.202","0.001","90","","6593.8","0.3","109","2","109","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H55 Br6 Cl3 S9 Si6 -","- C43 H55 Br6 Cl3 S9 Si6 -","- C172 H220 Br24 Cl12 S36 Si24 -","4","1","","Andrzej Rajca; Makoto Miyasaka; Maren Pink; Hua Wang; Suchada Rajca","Helically Annelated and Cross-Conjugated Oligothiophenes: Asymmetric Synthesis, Resolution, and Characterization of a Carbon-Sulfur [7]Helicene","Journal of the American Chemical Society","2004","126","","15211","15222","10.1021/ja0462530","","","0.71073","MoKα","","0.0511","0.0326","","","0.0663","0.0713","","","","","","1.01","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113187","15.6127","0.0008","23.0208","0.0011","24.1039","0.0012","90","","105.807","0.001","90","","8335.7","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 Cl6 N4 O2 Zr2 -","- C37 H46 Cl6 N4 O2 Zr2 -","- C296 H368 Cl48 N32 O16 Zr16 -","8","2","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0655","0.0349","","","0.0796","0.0901","","","","","","1.007","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113188","17.627","0.003","7.7849","0.0012","14.749","0.002","90","","90","","90","","2023.9","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","[Cp2]Zr{PhN(CH2)3NPh}","","","- C25 H26 N2 Zr -","- C25 H26 N2 Zr -","- C100 H104 N8 Zr4 -","4","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0267","0.0265","","","0.064","0.0642","","","","","","1.146","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113189","43.912","0.007","16.786","0.003","11.467","0.002","90","","96.99","0.02","90","","8390","3","210","2","210","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C106 H102 N4 Si2 Zr2 -","- C106 H102 N4 Si2 Zr2 -","- C424 H408 N16 Si8 Zr8 -","4","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0792","0.0397","","","0.1023","0.122","","","","","","1.167","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113190","11.7007","0.0006","12.3073","0.0007","13.5053","0.0007","72.136","0.001","75.959","0.001","67.825","0.001","1696.3","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 N2 Si Zr -","- C44 H40 N2 Si Zr -","- C88 H80 N4 Si2 Zr2 -","2","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0476","0.0319","","","0.0678","0.0712","","","","","","1.011","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113191","21.165","0.008","15.453","0.004","11.026","0.003","90","","99.97","0.03","90","","3551.7","1.9","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 N2 Si Zr -","- C44 H42 N2 Si Zr -","- C176 H168 N8 Si4 Zr4 -","4","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0865","0.0545","","0.1636","","0.1334","","","1.1","","","1.058","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113192","12.8839","0.0009","14.7635","0.0009","17.5727","0.0012","90","","90","","90","","3342.5","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 N2 Si Zr -","- C44 H40 N2 Si Zr -","- C176 H160 N8 Si4 Zr4 -","4","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0687","0.041","","","0.0527","0.0567","","","","","","0.916","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113193","10.3355","0.0006","12.1037","0.0007","14.8777","0.0008","93.503","0.001","97.219","0.001","107.125","0.001","1755.08","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H42 N2 Si Zr -","- C45 H42 N2 Si Zr -","- C90 H84 N4 Si2 Zr2 -","2","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0808","0.0453","","","0.0751","0.0814","","","","","","1.01","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113194","11.972","0.002","19.648","0.004","15.091","0.003","90","","109.265","0.003","90","","3351","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","rac-[Me2Si(indenyl)2]Zr{PhN(CH2)3NPh}","","","- C42 H42 N2 Si Zr -","- C42 H42 N2 Si Zr -","- C168 H168 N8 Si4 Zr4 -","4","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0464","0.0408","","","0.0923","0.0954","","","","","","1.101","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113195","31.469","0.006","10.855","0.002","14.079","0.004","90","","90","","90","","4809.3","1.9","213","2","213","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C22 H32 Cl2 N2 O2 Zr -","- C22 H32 Cl2 N2 O2 Zr -","- C176 H256 Cl16 N16 O16 Zr8 -","8","0.5","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0283","0.023","","0.0597","","0.058","","","1.065","","","1.074","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113196","24.9766","0.0011","24.9766","0.0011","7.8479","0.0004","90","","90","","90","","4895.8","0.4","173","2","173","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C23 H32 Cl2 N2 O2 Zr -","- C23 H32 Cl2 N2 O2 Zr -","- C184 H256 Cl16 N16 O16 Zr8 -","8","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0365","0.0248","","","0.0708","0.0755","","","","","","0.997","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113197","12.7695","0.0013","8.9459","0.0008","15.7581","0.0016","90","","92.497","0.001","90","","1798.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cl2 N8 Ni O8 -","- C28 H44 Cl2 N8 Ni O8 -","- C56 H88 Cl4 N16 Ni2 O16 -","2","0.5","","Maximilian N. Kopylovich; Vadim Yu. Kukushkin; Matti Haukka; Konstantin V. Luzyanin; Armando J. L. Pombeiro","An Efficient Synthesis of Phthalocyanines Based on an Unprecedented Double-Addition of Oximes to Phthalonitriles","Journal of the American Chemical Society","2004","126","","15040","15041","10.1021/ja046759i","","","0.71073","MoKα","","0.0901","0.0732","","","0.2161","0.2301","","","","","","1.095","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113198","10.6235","0.0011","9.2927","0.0006","17.5169","0.0015","90","","95.82","0.008","90","","1720.4","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Cl2 N8 Ni O4 -","- C32 H44 Cl2 N8 Ni O4 -","- C64 H88 Cl4 N16 Ni2 O8 -","2","0.5","","Maximilian N. Kopylovich; Vadim Yu. Kukushkin; Matti Haukka; Konstantin V. Luzyanin; Armando J. L. Pombeiro","An Efficient Synthesis of Phthalocyanines Based on an Unprecedented Double-Addition of Oximes to Phthalonitriles","Journal of the American Chemical Society","2004","126","","15040","15041","10.1021/ja046759i","","","0.71073","MoKα","","0.0791","0.0516","","","0.1335","0.1519","","","","","","1.079","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113199","10.4825","0.0008","11.3345","0.0009","11.5961","0.0008","106.522","0.004","109.206","0.004","110.491","0.004","1087.37","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Cl12 N8 Ni O4 -","- C30 H34 Cl12 N8 Ni O4 -","- C30 H34 Cl12 N8 Ni O4 -","1","0.5","","Maximilian N. Kopylovich; Vadim Yu. Kukushkin; Matti Haukka; Konstantin V. Luzyanin; Armando J. L. Pombeiro","An Efficient Synthesis of Phthalocyanines Based on an Unprecedented Double-Addition of Oximes to Phthalonitriles","Journal of the American Chemical Society","2004","126","","15040","15041","10.1021/ja046759i","","","0.71073","MoKα","","0.0576","0.0406","","","0.0954","0.1063","","","","","","1.12","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113200","66.959","0.013","18.977","0.004","32.682","0.007","90","","106.92","0.03","90","","39731","16","110","2","110","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C191.25 H179.25 Cl4 Mn4 N18 O1.75 P12 Re4 -","- C191.25 H179.25 Cl4 Mn4 N18 O1.75 P12 Re4 -","- C1530 H1434 Cl32 Mn32 N144 O14 P96 Re32 -","8","1","","Eric J. Schelter; Andrey V. Prosvirin; Kim R. Dunbar","Molecular Cube of ReII and MnII That Exhibits Single-Molecule Magnetism","Journal of the American Chemical Society","2004","126","","15004","15005","10.1021/ja047088r","","","0.71073","MoKα","","0.115","0.0651","","","0.154","0.1765","","","","","","1.025","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113201","8.205","0.002","10.282","0.002","34.245","0.008","90","","93.1","0.01","90","","2884.8","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 Cl N O3 Pd0.5 -","- C28 H41 Cl N O3 Pd0.5 -","- C112 H164 Cl4 N4 O12 Pd2 -","4","1","","Bertrand Donnio; Benoît Heinrich; Hassan Allouchi; Jens Kain; Siegmar Diele; Daniel Guillon; Duncan W. Bruce","A Generalized Model for the Molecular Arrangement in the Columnar Mesophases of Polycatenar Mesogens. Crystal and Molecular Structure of Two Hexacatenar Mesogens","Journal of the American Chemical Society","2004","126","","15258","15268","10.1021/ja0471673","","","0.71069","MoKα","","0.1384","0.1049","","","0.2046","0.2216","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113202","8.9605","0.0003","9.0629","0.0003","23.428","0.0008","85.958","0.001","89.673","0.001","85.248","0.002","1891.29","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H59 Cl N O3 Pd0.5 -","- C37 H59 Cl N O3 Pd0.5 -","- C74 H118 Cl2 N2 O6 Pd -","2","1","","Bertrand Donnio; Benoît Heinrich; Hassan Allouchi; Jens Kain; Siegmar Diele; Daniel Guillon; Duncan W. Bruce","A Generalized Model for the Molecular Arrangement in the Columnar Mesophases of Polycatenar Mesogens. Crystal and Molecular Structure of Two Hexacatenar Mesogens","Journal of the American Chemical Society","2004","126","","15258","15268","10.1021/ja0471673","","","0.71069","MoKα","","0.1005","0.0523","","","0.1","0.1162","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113203","6.2902","0.001","8.6138","0.0011","29.089","0.004","90","","94.301","0.006","90","","1571.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30.8 Br0.24 N4 S4 -","- C34 H30.796 Br0.24 N4 S4 -","- C68 H61.592 Br0.48 N8 S8 -","2","0.5","","Daron E. Janzen; Michael W. Burand; Paul C. Ewbank; Ted M. Pappenfus; Hiroyuki Higuchi; Demetrio A. da Silva Filho; Victor G. Young; Jean-Luc Brédas; Kent R. Mann","Preparation and Characterization of π-Stacking Quinodimethane Oligothiophenes. Predicting Semiconductor Behavior and Bandwidths from Crystal Structures and Molecular Orbital Calculations","Journal of the American Chemical Society","2004","126","","15295","15308","10.1021/ja0484597","","","0.55","synchrotron","","0.0939","0.0725","","","0.1943","0.2092","","","","","","1.21","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113204","5.6513","0.0009","15.832","0.003","19.096","0.003","98.562","0.007","90.409","0.007","93.139","0.007","1686.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","CMC165b","","","- C36 H42 N4 S3 -","- C36 H42 N4 S3 -","- C72 H84 N8 S6 -","2","1","","Daron E. Janzen; Michael W. Burand; Paul C. Ewbank; Ted M. Pappenfus; Hiroyuki Higuchi; Demetrio A. da Silva Filho; Victor G. Young; Jean-Luc Brédas; Kent R. Mann","Preparation and Characterization of π-Stacking Quinodimethane Oligothiophenes. Predicting Semiconductor Behavior and Bandwidths from Crystal Structures and Molecular Orbital Calculations","Journal of the American Chemical Society","2004","126","","15295","15308","10.1021/ja0484597","","","0.55","synchrotron","","0.0606","0.0466","","","0.1295","0.1387","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113205","8.467","0.0014","12.873","0.002","19.364","0.005","104.072","0.015","102.56","0.014","96.391","0.014","1968","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H50 N4 S3 -","- C43 H50 N4 S3 -","- C86 H100 N8 S6 -","2","1","","Daron E. Janzen; Michael W. Burand; Paul C. Ewbank; Ted M. Pappenfus; Hiroyuki Higuchi; Demetrio A. da Silva Filho; Victor G. Young; Jean-Luc Brédas; Kent R. Mann","Preparation and Characterization of π-Stacking Quinodimethane Oligothiophenes. Predicting Semiconductor Behavior and Bandwidths from Crystal Structures and Molecular Orbital Calculations","Journal of the American Chemical Society","2004","126","","15295","15308","10.1021/ja0484597","","","0.71073","MoKα","","0.088","0.056","","","0.1175","0.127","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113206","6.555","0.002","14.858","0.007","18.269","0.008","93.214","0.016","96.441","0.017","94.512","0.017","1758.8","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H42 N4 S3 -","- C36 H42 N4 S3 -","- C72 H84 N8 S6 -","2","1","","Daron E. Janzen; Michael W. Burand; Paul C. Ewbank; Ted M. Pappenfus; Hiroyuki Higuchi; Demetrio A. da Silva Filho; Victor G. Young; Jean-Luc Brédas; Kent R. Mann","Preparation and Characterization of π-Stacking Quinodimethane Oligothiophenes. Predicting Semiconductor Behavior and Bandwidths from Crystal Structures and Molecular Orbital Calculations","Journal of the American Chemical Society","2004","126","","15295","15308","10.1021/ja0484597","","","0.55936","synchrotron","","0.1082","0.0789","","","0.215","0.2388","","","","","","1.104","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4113207","7.951","0.003","13.212","0.004","13.936","0.004","95.876","0.006","98.489","0.006","97.492","0.006","1424.5","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","03138","","","- C30 H30 N4 S3 -","- C30 H30 N4 S3 -","- C60 H60 N8 S6 -","2","1","","Daron E. Janzen; Michael W. Burand; Paul C. Ewbank; Ted M. Pappenfus; Hiroyuki Higuchi; Demetrio A. da Silva Filho; Victor G. Young; Jean-Luc Brédas; Kent R. Mann","Preparation and Characterization of π-Stacking Quinodimethane Oligothiophenes. Predicting Semiconductor Behavior and Bandwidths from Crystal Structures and Molecular Orbital Calculations","Journal of the American Chemical Society","2004","126","","15295","15308","10.1021/ja0484597","","","0.71073","MoKα","","0.1434","0.0503","","","0.0947","0.1215","","","","","","0.963","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113208","11.761","0.005","12.343","0.006","13.096","0.006","115.826","0.007","108.787","0.007","96.105","0.008","1550.7","1.2","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H25 F12 Fe2 N7 O P2 S2 -","- C17 H25 F12 Fe2 N7 O P2 S2 -","- C34 H50 F24 Fe4 N14 O2 P4 S4 -","2","1","","Christine A. Boyke; Thomas B. Rauchfuss; Scott R. Wilson; Marie-Madeleine Rohmer; Marc Bénard","[Fe2(SR)2(μ-CO)(CNMe)6]2+ and Analogues: A New Class of Diiron Dithiolates as Structural Models for the Hox Air State of the Fe-Only Hydrogenase","Journal of the American Chemical Society","2004","126","","15151","15160","10.1021/ja049050k","","","0.71073","MoKα","","0.086","0.0465","","","0.0924","0.1027","","","","","","0.936","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4113209","14.343","0.008","14.66","0.009","14.927","0.009","85.149","0.01","63.442","0.009","69.038","0.009","2611","3","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H119 F24 Fe4 N13 O2 P4 S4 -","- C68 H119 F24 Fe4 N13 O2 P4 S4 -","- C68 H119 F24 Fe4 N13 O2 P4 S4 -","1","0.5","","Christine A. Boyke; Thomas B. Rauchfuss; Scott R. Wilson; Marie-Madeleine Rohmer; Marc Bénard","[Fe2(SR)2(μ-CO)(CNMe)6]2+ and Analogues: A New Class of Diiron Dithiolates as Structural Models for the Hox Air State of the Fe-Only Hydrogenase","Journal of the American Chemical Society","2004","126","","15151","15160","10.1021/ja049050k","","","0.71073","MoKα","","0.0485","0.0367","","","0.0928","0.0988","","","","","","1.041","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4113210","11.926","0.008","12.433","0.008","13.286","0.009","116.384","0.009","110.444","0.01","95.077","0.011","1582.4","1.8","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H27 F12 Fe2 N7 O P2 S2 -","- C18 H27 F12 Fe2 N7 O P2 S2 -","- C36 H54 F24 Fe4 N14 O2 P4 S4 -","2","1","","Christine A. Boyke; Thomas B. Rauchfuss; Scott R. Wilson; Marie-Madeleine Rohmer; Marc Bénard","[Fe2(SR)2(μ-CO)(CNMe)6]2+ and Analogues: A New Class of Diiron Dithiolates as Structural Models for the Hox Air State of the Fe-Only Hydrogenase","Journal of the American Chemical Society","2004","126","","15151","15160","10.1021/ja049050k","","","0.71073","MoKα","","0.0653","0.0428","","","0.1006","0.1091","","","","","","1.019","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113211","13.345","0.003","12.306","0.003","19.82","0.005","90","","95.253","0.004","90","","3241.2","1.4","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 F12 Fe2 N7 O P2 S2 -","- C16 H24 F12 Fe2 N6 O P2 S2 -","- C64 H96 F48 Fe8 N24 O4 P8 S8 -","4","1","","Christine A. Boyke; Thomas B. Rauchfuss; Scott R. Wilson; Marie-Madeleine Rohmer; Marc Bénard","[Fe2(SR)2(μ-CO)(CNMe)6]2+ and Analogues: A New Class of Diiron Dithiolates as Structural Models for the Hox Air State of the Fe-Only Hydrogenase","Journal of the American Chemical Society","2004","126","","15151","15160","10.1021/ja049050k","","","0.71073","MoKα","","0.0807","0.0528","","","0.1254","0.1358","","","","","","1.035","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4113212","12.3478","0.0019","22.777","0.004","16.82","0.003","90","","108.576","0.002","90","","4484.1","1.3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H29 B Cl F20 Zr -","- C50 H29 B Cl F20 Zr -","- C200 H116 B4 Cl4 F80 Zr4 -","4","1","","Fan Wu; Aswini K. Dash; Richard F. Jordan","Structures and Reactivity of Zr(IV) Chlorobenzene Complexes","Journal of the American Chemical Society","2004","126","","15360","15361","10.1021/ja044303v","","","0.71073","MoKα","","0.0501","0.0472","","","0.1305","0.1327","","","","","","1.076","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113213","12.9049","0.0019","13.95","0.002","15.185","0.002","68.011","0.003","72.658","0.003","63.847","0.003","2246","0.6","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H34 B Cl F20 Zr -","- C50 H34 B Cl F20 Zr -","- C100 H68 B2 Cl2 F40 Zr2 -","2","1","","Fan Wu; Aswini K. Dash; Richard F. Jordan","Structures and Reactivity of Zr(IV) Chlorobenzene Complexes","Journal of the American Chemical Society","2004","126","","15360","15361","10.1021/ja044303v","","","0.71073","MoKα","","0.0448","0.0413","","","0.1018","0.1044","","","","","","1.088","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113214","10.782","0.002","15.153","0.003","15.649","0.003","71.731","0.003","79.008","0.003","78.605","0.003","2357.1","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H35 B Cl2 F20 Zr -","- C50 H35 B Cl2 F20 Zr -","- C100 H70 B2 Cl4 F40 Zr2 -","2","1","","Fan Wu; Aswini K. Dash; Richard F. Jordan","Structures and Reactivity of Zr(IV) Chlorobenzene Complexes","Journal of the American Chemical Society","2004","126","","15360","15361","10.1021/ja044303v","","","0.71073","MoKα","","0.0648","0.0618","","","0.1621","0.1647","","","","","","1.087","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113215","10.892","0.002","13.812","0.003","32.591","0.006","78.354","0.003","82.377","0.003","83.618","0.003","4741.6","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H37 B Cl F20 N Zr -","- C52 H37 B Cl F20 N Zr -","- C208 H148 B4 Cl4 F80 N4 Zr4 -","4","2","","Fan Wu; Aswini K. Dash; Richard F. Jordan","Structures and Reactivity of Zr(IV) Chlorobenzene Complexes","Journal of the American Chemical Society","2004","126","","15360","15361","10.1021/ja044303v","","","0.71073","MoKα","","0.0572","0.0492","","","0.1031","0.1067","","","","","","1.19","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113216","9.731","0.004","9.878","0.004","11.256","0.005","66.441","0.006","84.297","0.007","73.066","0.007","948.6","0.7","159","","159","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H52 O10 Rh2 -","- C38 H52 O10 Rh2 -","- C38 H52 O10 Rh2 -","1","0.5","","Christine G. Espino; Kristin Williams Fiori; Mihyong Kim; J. Du Bois","Expanding the Scope of C-H Amination through Catalyst Design","Journal of the American Chemical Society","2004","126","","15378","15379","10.1021/ja0446294","","","0.71073","MoKα","","0.0375","0.0268","","","0.0554","0.0567","","","","","","0.947","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113217","10.9113","0.0002","17.3319","0.0002","19.6884","0.0004","64.4415","0.0005","90.0332","0.0006","78.416","0.0011","3274.52","0.1","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C64 H76 Cl N5 O17 -","- C64 H76 Cl N5 O17 -","- C128 H152 Cl2 N10 O34 -","2","1","","Mark R. Sambrook; Paul D. Beer; James A. Wisner; Rowena L. Paul; Andrew R. Cowley","Anion-Templated Assembly of a [2]Catenane","Journal of the American Chemical Society","2004","126","","15364","15365","10.1021/ja045080b","","","0.71073","MoKα","","0.1821","0.1082","","0.1448","0.1181","0.1181","","","","","","1.0644","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113218","10.7752","0.0015","14.371","0.002","8.067","0.0012","90","","93.868","0.011","90","","1246.3","0.3","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Cl -","- C18 H11 Cl -","- C72 H44 Cl4 -","4","1","","Hyunsik Moon; Roswitha Zeis; Evert-Jan Borkent; Celine Besnard; Andrew J. Lovinger; Theo Siegrist; Christian Kloc; Zhenan Bao","Synthesis, Crystal Structure, and Transistor Performance of Tetracene Derivatives","Journal of the American Chemical Society","2004","126","","15322","15323","10.1021/ja045208p","","","0.71073","MoKα","","0.2112","0.039","","0.144","0.0418","0.0418","","","","","","1.1525","","","","has coordinates","209444","2020-10-21","18:00:00",""
"4113219","3.8607","0.0012","8.664","0.003","19.686","0.005","93.37","0.03","92.02","0.02","99.47","0.03","647.7","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","trans di-chloro tetracene","","","- C18 H10 Cl2 -","- C18 H10 Cl2 -","- C36 H20 Cl4 -","2","1","","Hyunsik Moon; Roswitha Zeis; Evert-Jan Borkent; Celine Besnard; Andrew J. Lovinger; Theo Siegrist; Christian Kloc; Zhenan Bao","Synthesis, Crystal Structure, and Transistor Performance of Tetracene Derivatives","Journal of the American Chemical Society","2004","126","","15322","15323","10.1021/ja045208p","","","0.71073","MoKα","","0.2283","0.0534","","","0.1136","0.1925","","","","","","0.713","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4113220","10.8526","0.0015","14.396","0.002","8.177","0.0012","90","","93.091","0.011","90","","1275.7","0.3","293","","293","","","","","","","","?","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Br -","- C18 H11 Br -","- C72 H44 Br4 -","4","1","","Hyunsik Moon; Roswitha Zeis; Evert-Jan Borkent; Celine Besnard; Andrew J. Lovinger; Theo Siegrist; Christian Kloc; Zhenan Bao","Synthesis, Crystal Structure, and Transistor Performance of Tetracene Derivatives","Journal of the American Chemical Society","2004","126","","15322","15323","10.1021/ja045208p","","","0.71073","MoKα","","0.1705","0.0483","","0.142","0.1132","0.1132","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113221","9.2912","0.0001","19.79","0.0002","17.9581","0.0002","90","","96.8958","0.0008","90","","3278.12","0.06","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 F6 N4 O2 P Ru -","- C31 H38 F6 N4 O2 P Ru -","- C124 H152 F24 N16 O8 P4 Ru4 -","4","1","","Wai-Lun Man; William W. Y. Lam; Shek-Man Yiu; Tai-Chu Lau; Shie-Ming Peng","Direct Aziridination of Alkenes by a Cationic (Salen)ruthenium(VI) Nitrido Complex","Journal of the American Chemical Society","2004","126","","15336","15337","10.1021/ja045845f","","","0.71073","MoKα","","0.0595","0.0366","","","0.0838","0.091","","","","","","1.021","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113222","10.7773","0.0008","11.4121","0.0009","14.2929","0.0011","107.279","0.002","96.02","0.002","98.386","0.002","1640.1","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H37 F6 N5 O2 P Ru -","- C33 H37 F6 N5 O2 P Ru -","- C66 H74 F12 N10 O4 P2 Ru2 -","2","1","","Wai-Lun Man; William W. Y. Lam; Shek-Man Yiu; Tai-Chu Lau; Shie-Ming Peng","Direct Aziridination of Alkenes by a Cationic (Salen)ruthenium(VI) Nitrido Complex","Journal of the American Chemical Society","2004","126","","15336","15337","10.1021/ja045845f","","","0.71073","MoKα","","0.0911","0.0752","","","0.1805","0.1903","","","","","","1.155","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113223","6.486","0.0004","28.861","0.002","10.7107","0.0009","90","","90","","90","","2005","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 N2 O2 -","- C23 H30 N2 O2 -","- C92 H120 N8 O8 -","4","1","","Puay-Wah Phuan; James C. Ianni; Marisa C. Kozlowski","Is the A-Ring of Sparteine Essential for High Enantioselectivity in the Asymmetric Lithiation-Substitution of N-Boc-pyrrolidine?","Journal of the American Chemical Society","2004","126","","15473","15479","10.1021/ja046321i","","","0.71073","MoKα","","0.0818","0.0627","","","0.1528","0.1661","","","","","","1.218","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113224","10.6236","0.0013","10.7904","0.0011","11.9528","0.0014","90","","91.771","0.001","90","","1369.5","0.3","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H23 I N2 -","- C11 H23 I N2 -","- C44 H92 I4 N8 -","4","2","","Puay-Wah Phuan; James C. Ianni; Marisa C. Kozlowski","Is the A-Ring of Sparteine Essential for High Enantioselectivity in the Asymmetric Lithiation-Substitution of N-Boc-pyrrolidine?","Journal of the American Chemical Society","2004","126","","15473","15479","10.1021/ja046321i","","","0.71069","MoKα","","0.0329","0.0305","","","0.0725","0.074","","","","","","1.035","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113225","15.288","0.003","15.288","0.003","15.663","0.006","90","","90","","120","","3170.3","1.5","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C21 H21.5 Eu Mn1.5 N3 O18.25 -","- C21 H9 Eu Mn1.5 N3 O18.25 -","- C84 H36 Eu4 Mn6 N12 O73 -","4","0.166667","","Bin Zhao; Xiao-Yan Chen; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan; Zong-Hui Jiang","Coordination Polymers Containing 1D Channels as Selective Luminescent Probes","Journal of the American Chemical Society","2004","126","","15394","15395","10.1021/ja047141b","","","0.71073","MoKα","","0.0584","0.0283","","","0.065","0.0765","","","","","","0.997","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113226","15.351","0.004","15.351","0.004","15.812","0.008","90","","90","","120","","3227","2","273","2","273","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C21 H21.5 Mn1.5 N3 O18.25 Tb -","- C21 H9 Mn1.5 N3 O18.25 Tb -","- C84 H36 Mn6 N12 O73 Tb4 -","4","0.166667","","Bin Zhao; Xiao-Yan Chen; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan; Zong-Hui Jiang","Coordination Polymers Containing 1D Channels as Selective Luminescent Probes","Journal of the American Chemical Society","2004","126","","15394","15395","10.1021/ja047141b","","","0.71073","MoKα","","0.0717","0.0341","","","0.0959","0.1162","","","","","","1.146","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113227","11.939","0.008","23.478","0.005","11.471","0.004","91.86","0.02","112.61","0.03","97.45","0.04","2931","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","stannaneselone","","","- C51 H84 Se Si6 Sn -","- C51 H84 Se Si6 Sn -","- C102 H168 Se2 Si12 Sn2 -","2","1","","Masaichi Saito; Norihiro Tokitoh; Renji Okazaki","Tin-Chalcogen Double-Bond Compounds, Stannanethione and Stannaneselone: Synthesis, Structure, and Reactivities","Journal of the American Chemical Society","2004","126","","15572","15582","10.1021/ja048453h","","","0.71069","MoKα","","0.3159","0.1037","","","0.2125","0.3177","","","","","","1.011","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113228","11.316","0.009","6.229","0.005","15.518","0.013","90","","97.375","0.014","90","","1084.8","1.5","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","","Vincent Mascitti; E. J. Corey","Total Synthesis of (\±)-Pentacycloanammoxic Acid","Journal of the American Chemical Society","2004","126","","15664","15665","10.1021/ja044089a","","","0.71073","MoKα","","0.0554","0.0471","","","0.1203","0.1265","","","","","","1.034","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113229","11.59","0.007","7.564","0.005","25.78","0.02","90","","97.05","0.04","90","","2243","3","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Br2 N2 O4 -","- C24 H22 Br2 N2 O4 -","- C96 H88 Br8 N8 O16 -","4","1","","Vincent Mascitti; E. J. Corey","Total Synthesis of (\±)-Pentacycloanammoxic Acid","Journal of the American Chemical Society","2004","126","","15664","15665","10.1021/ja044089a","","","0.71073","MoKα","","0.0851","0.0665","","","0.108","0.1129","","","","","","1.29","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113230","10.911","0.001","5.8659","0.0007","11.923","0.001","90","","96.868","0.002","90","","757.63","0.13","173.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N O S -","- C15 H25 N O S -","- C30 H50 N2 O2 S2 -","2","1","","Takuya Kochi; Jonathan A. Ellman","Asymmetric α-Alkylation of N'-tert-Butanesulfinyl Amidines. Application to the Total Synthesis of (6R,7S)-7-Amino-7,8-dihydro-α-bisabolene","Journal of the American Chemical Society","2004","126","","15652","15653","10.1021/ja044753n","","","0.7107","MoKα","","","0.0616","","","","0.0647","","","","","","1.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113231","16.5705","0.0011","17.2926","0.0011","18.6213","0.0012","64.97","0.001","67.295","0.001","65.611","0.001","4256.6","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C142 H139 Dy4 Mn11 N20 O66 -","- C141 H127 Dy4 Mn11 N19 O66 -","- C141 H127 Dy4 Mn11 N19 O66 -","1","0.5","","Abhudaya Mishra; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","Initial Observation of Magnetization Hysteresis and Quantum Tunneling in Mixed Manganese-Lanthanide Single-Molecule Magnets","Journal of the American Chemical Society","2004","126","","15648","15649","10.1021/ja0452727","","","0.71073","MoKα","","0.0773","0.0425","","","0.1006","0.1099","","","","","","0.926","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113232","8.484","0.0001","12.8058","0.0002","9.7203","0.0002","90","","115.088","0.0007","90","","956.43","0.03","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 P2 -","- C10 H10 P2 -","- C40 H40 P8 -","4","1","","Stephan A. Reiter; Stefan D. Nogai; Konstantin Karaghiosoff; Hubert Schmidbaur","Insignificance of P-H...P Hydrogen Bonding: Structural Chemistry of Neutral and Protonated 1,8-Di(phosphinyl)naphthalene","Journal of the American Chemical Society","2004","126","","15833","15843","10.1021/ja045460x","","","0.71073","MoKα","","0.0395","0.0391","","","0.0986","0.099","","","","","","1.082","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113233","14.1998","0.0002","13.4147","0.0001","21.2357","0.0003","90","","98.0005","0.0005","90","","4005.73","0.09","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 F6 O7 P2 S2 -","- C12 H14 F6 O7 P2 S2 -","- C96 H112 F48 O56 P16 S16 -","8","2","","Stephan A. Reiter; Stefan D. Nogai; Konstantin Karaghiosoff; Hubert Schmidbaur","Insignificance of P-H...P Hydrogen Bonding: Structural Chemistry of Neutral and Protonated 1,8-Di(phosphinyl)naphthalene","Journal of the American Chemical Society","2004","126","","15833","15843","10.1021/ja045460x","","","0.71073","MoKα","","0.0437","0.0389","","","0.0916","0.095","","","","","","1.05","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113234","10.5319","0.0002","18.005","0.0005","7.3227","0.0001","90","","90","","90","","1388.58","0.05","143","2","143","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C11 H11 F3 O3 P2 S -","- C11 H11 F3 O3 P2 S -","- C44 H44 F12 O12 P8 S4 -","4","0.5","","Stephan A. Reiter; Stefan D. Nogai; Konstantin Karaghiosoff; Hubert Schmidbaur","Insignificance of P-H...P Hydrogen Bonding: Structural Chemistry of Neutral and Protonated 1,8-Di(phosphinyl)naphthalene","Journal of the American Chemical Society","2004","126","","15833","15843","10.1021/ja045460x","","","0.71073","MoKα","","0.0394","0.0374","","","0.0934","0.0947","","","","","","1.06","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113235","21.247","0.003","18.09","0.002","20.065","0.002","90","","90","","90","","7712.1","1.6","223","2","223","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","Au2(PAnP)(NO3)2+0.5Et2O","","","- C40 H33 Au2 N2 O6.5 P2 -","- C40 H33 Au2 N2 O6.5 P2 -","- C320 H264 Au16 N16 O52 P16 -","8","1","","Ronger Lin; John H. K. Yip; Ke Zhang; Lip Lin Koh; Kwok-Yin Wong; Kam Piu Ho","Self-Assembly and Molecular Recognition of a Luminescent Gold Rectangle","Journal of the American Chemical Society","2004","126","","15852","15869","10.1021/ja0456508","","","0.71073","MoKα","","0.0753","0.053","","","0.1215","0.1323","","","","","","1.055","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113236","28.309","0.0013","24.2881","0.0011","10.6225","0.0005","90","","95.253","0.001","90","","7273.1","0.6","295","2","295","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","(1+An)(OTf)4","","","- C114 H82 Au4 F12 N4 O12 P4 S4 -","- C114 H82 Au4 F12 N4 O12 P4 S4 -","- C228 H164 Au8 F24 N8 O24 P8 S8 -","2","0.25","","Ronger Lin; John H. K. Yip; Ke Zhang; Lip Lin Koh; Kwok-Yin Wong; Kam Piu Ho","Self-Assembly and Molecular Recognition of a Luminescent Gold Rectangle","Journal of the American Chemical Society","2004","126","","15852","15869","10.1021/ja0456508","","","0.71073","MoKα","","0.0945","0.0659","","","0.2158","0.2375","","","","","","1.04","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113237","27.4266","0.0017","21.6592","0.0015","23.647","0.0016","90","","90","","90","","14047.2","1.6","295","2","295","2","","","","","","","","9","P n n m","-P 2 2n","58","(1+Br-An)(OTf)4+Et2O","","","- C118 H90 Au4 Br F12 N4 O13 P4 S4 -","- C118 H90 Au4 Br F12 N4 O13 P4 S4 -","- C472 H360 Au16 Br4 F48 N16 O52 P16 S16 -","4","0.5","","Ronger Lin; John H. K. Yip; Ke Zhang; Lip Lin Koh; Kwok-Yin Wong; Kam Piu Ho","Self-Assembly and Molecular Recognition of a Luminescent Gold Rectangle","Journal of the American Chemical Society","2004","126","","15852","15869","10.1021/ja0456508","","","0.71073","MoKα","","0.1191","0.066","","","0.2076","0.2444","","","","","","1.047","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113238","28.406","0.002","24.235","0.0016","10.7465","0.0008","90","","94.496","0.002","90","","7375.3","0.9","295","2","295","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","(1+Py)(OTf)4+CH2Cl2","","","- C117 H84 Au4 Cl2 F12 N4 O12 P4 S4 -","- C117 H80.6 Au4 Cl2 F12 N4 O12 P4 S4 -","- C234 H161.2 Au8 Cl4 F24 N8 O24 P8 S8 -","2","0.25","","Ronger Lin; John H. K. Yip; Ke Zhang; Lip Lin Koh; Kwok-Yin Wong; Kam Piu Ho","Self-Assembly and Molecular Recognition of a Luminescent Gold Rectangle","Journal of the American Chemical Society","2004","126","","15852","15869","10.1021/ja0456508","","","0.71073","MoKα","","0.1452","0.0705","","","0.1948","0.2321","","","","","","0.941","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113239","28.242","0.004","24.405","0.004","10.3082","0.0016","90","","96.392","0.003","90","","7060.7","1.9","193","2","193","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","1(OTf)4+4.8H2O","","","- C100 H72 Au4 F12 N4 O16.8 P4 S4 -","- C100 H72 Au4 F12 N4 O16.8 P4 S4 -","- C200 H144 Au8 F24 N8 O33.6 P8 S8 -","2","0.25","","Ronger Lin; John H. K. Yip; Ke Zhang; Lip Lin Koh; Kwok-Yin Wong; Kam Piu Ho","Self-Assembly and Molecular Recognition of a Luminescent Gold Rectangle","Journal of the American Chemical Society","2004","126","","15852","15869","10.1021/ja0456508","","","0.71073","MoKα","","0.1365","0.0748","","","0.2187","0.2426","","","","","","0.968","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113240","8.074","0.003","12.108","0.004","10.5053","0.0016","90","","112.46","0.02","90","","949.1","0.5","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Cl N2 -","- C9 H11 Cl N2 -","- C36 H44 Cl4 N8 -","4","1","","Dongbin Zhao; Zhaofu Fei; Tilmann J. Geldbach; Rosario Scopelliti; Paul J. Dyson","Nitrile-Functionalized Pyridinium Ionic Liquids: Synthesis, Characterization, and Their Application in Carbon-Carbon Coupling Reactions","Journal of the American Chemical Society","2004","126","","15876","15882","10.1021/ja0463482","","","0.71073","MoKα","","0.0604","0.0528","","","0.1301","0.1398","","","","","","1.093","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113241","14.142","0.007","10.421","0.005","15.367","0.003","90","","104.78","0.03","90","","2189.8","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl4 N4 Pd -","- C18 H22 Cl4 N4 Pd -","- C72 H88 Cl16 N16 Pd4 -","4","1","","Dongbin Zhao; Zhaofu Fei; Tilmann J. Geldbach; Rosario Scopelliti; Paul J. Dyson","Nitrile-Functionalized Pyridinium Ionic Liquids: Synthesis, Characterization, and Their Application in Carbon-Carbon Coupling Reactions","Journal of the American Chemical Society","2004","126","","15876","15882","10.1021/ja0463482","","","0.71073","MoKα","","0.082","0.0436","","","0.0951","0.1108","","","","","","0.944","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113242","13.2666","0.0007","17.4832","0.001","19.2115","0.001","90","","95.855","0.001","90","","4432.7","0.4","98","2","98","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H50 B F3 O5 P2 Pd S -","- C47 H50 B F3 O5 P2 Pd S -","- C188 H200 B4 F12 O20 P8 Pd4 S4 -","4","1","","Connie C. Lu; Jonas C. Peters","Synthetic, Structural, and Mechanistic Aspects of an Amine Activation Process Mediated at a Zwitterionic Pd(II) Center","Journal of the American Chemical Society","2004","126","","15818","15832","10.1021/ja046415s","","","0.71073","MoKα","","0.0805","0.0478","","","0.0701","0.0728","","","","","","1.743","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113243","16.3584","0.0011","17.415","0.0012","19.5418","0.0013","90","","112.188","0.001","90","","5154.9","0.6","98","2","98","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C52 H47 B Cl4 F3 N O3 P2 Pd S -","- C52 H47 B Cl4 F3 N O3 P2 Pd S -","- C208 H188 B4 Cl16 F12 N4 O12 P8 Pd4 S4 -","4","1","","Connie C. Lu; Jonas C. Peters","Synthetic, Structural, and Mechanistic Aspects of an Amine Activation Process Mediated at a Zwitterionic Pd(II) Center","Journal of the American Chemical Society","2004","126","","15818","15832","10.1021/ja046415s","","","0.71073","MoKα","","0.082","0.0489","","","0.0802","0.083","","","","","","1.94","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113244","12.9776","0.0011","19.4418","0.0016","18.1205","0.0015","90","","107.57","0.001","90","","4358.7","0.6","98","","98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 B N P2 Pd -","- C52 H60 B N P2 Pd -","- C208 H240 B4 N4 P8 Pd4 -","4","1","","Connie C. Lu; Jonas C. Peters","Synthetic, Structural, and Mechanistic Aspects of an Amine Activation Process Mediated at a Zwitterionic Pd(II) Center","Journal of the American Chemical Society","2004","126","","15818","15832","10.1021/ja046415s","","","0.71073","MoKα","","0.0777","0.0497","","","0.0953","0.0987","","","","","","1.745","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113245","11.6163","0.001","29.268","0.002","11.5305","0.0009","90","","113.573","0.001","90","","3593.1","0.5","98","","98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H44 B N P2 Pd -","- C43 H44 B N P2 Pd -","- C172 H176 B4 N4 P8 Pd4 -","4","1","","Connie C. Lu; Jonas C. Peters","Synthetic, Structural, and Mechanistic Aspects of an Amine Activation Process Mediated at a Zwitterionic Pd(II) Center","Journal of the American Chemical Society","2004","126","","15818","15832","10.1021/ja046415s","","","0.71073","MoKα","","0.0806","0.0485","","","0.087","0.09","","","","","","1.607","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113246","16.434","0.0014","19.9138","0.0018","20.3375","0.0018","71.255","0.002","70.065","0.002","74.827","0.002","5837.8","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","triclinic","","- C114 H202 I14 N30 Ni6 O41 -","- C114 H168 I14.004 N30 Ni6 O41 -","- C114 H168 I14.004 N30 Ni6 O41 -","1","0.5","","Hye Jin Choi; Myunghyun Paik Suh","Dynamic and Redox Active Pillared Bilayer Open Framework: Single-Crystal-to-Single-Crystal Transformations upon Guest Removal, Guest Exchange, and Framework Oxidation","Journal of the American Chemical Society","2004","126","","15844","15851","10.1021/ja0466715","","","0.71073","MoKα","","0.4654","0.1547","","","0.3337","0.496","","","","","","0.922","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113247","22.367","0.005","14.922","0.003","11.941","0.002","90","","100.33","0.03","90","","3920.8","1.4","253","2","253","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 N2 O3 -","- C20 H30 N2 O3 -","- C160 H240 N16 O24 -","8","1","","Fei Chen; Nian-Yong Zhu; Dan Yang","γ4-Aminoxy Peptides as New Peptidomimetic Foldamers","Journal of the American Chemical Society","2004","126","","15980","15981","10.1021/ja044493+","","","0.71073","MoKα","","0.0544","0.0358","","","0.0865","0.0905","","","","","","0.939","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113248","12.8646","0.0001","15.9762","0.0002","32.8003","0.0005","90.708","0.001","95.949","0.001","97.278","0.001","6648.81","0.14","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C55 H58 N6 -","- C55 H58 N6 -","- C330 H348 N36 -","6","3","","Piotr Piątek; Vincent M. Lynch; Jonathan L. Sessler","Calix[4]pyrrole[2]carbazole: A New Kind of Expanded Calixpyrrole","Journal of the American Chemical Society","2004","126","","16073","16076","10.1021/ja045218q","","","0.71073","MoKα","","0.1784","0.0749","","","0.1503","0.1803","","","","","","1.131","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113249","12.763","0.0002","15.757","0.0003","35.14","0.0007","90","","99.712","0.001","90","","6965.6","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H89 Cl2 N7 O2 -","- C73 H87 N7 O2 -","- C292 H348 N28 O8 -","4","1","","Piotr Piątek; Vincent M. Lynch; Jonathan L. Sessler","Calix[4]pyrrole[2]carbazole: A New Kind of Expanded Calixpyrrole","Journal of the American Chemical Society","2004","126","","16073","16076","10.1021/ja045218q","","","0.71073","MoKα","","0.193","0.1038","","","0.2047","0.2126","","","","","","2.623","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113250","12.5767","0.0005","13.2311","0.0006","17.2462","0.0008","90","","101.968","0.001","90","","2807.4","0.2","296.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O -","- C18 H20 O -","- C144 H160 O8 -","8","2","","Yoshiaki Nishibayashi; Masato Yoshikawa; Youichi Inada; Masanobu Hidai; Sakae Uemura","Ruthenium- and Platinum-Catalyzed Sequential Reactions: Selective Synthesis of Fused Polycyclic Compounds from Propargylic Alcohols and Alkenes","Journal of the American Chemical Society","2004","126","","16066","16072","10.1021/ja045532k","","","0.7107","MoKα","","","0.046","","","","0.1","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113251","9.9986","0.0001","11.8266","0.0001","13.6183","0.0002","90","","113.437","0.0005","90","","1477.5","0.03","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Li2 N4 -","- C30 H50 Li2 N4 -","- C60 H100 Li4 N8 -","2","0.5","","Anne M. Arink; Claudia M. P. Kronenburg; Johann T. B. H. Jastrzebski; Martin Lutz; Anthony L. Spek; Robert A. Gossage; Gerard van Koten","Diastereoselective Self-Assembly of Chiral Diamine-Chelated Aryllithiums to Dimeric Aggregates","Journal of the American Chemical Society","2004","126","","16249","16258","10.1021/ja045914q","","","0.71073","MoKα","","0.0524","0.0364","","","0.0902","0.0993","","","","","","0.955","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113252","9.6895","0.0001","17.262","0.0002","16.2017","0.0002","90","","94.7843","0.0005","90","","2700.46","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H42 Li2 N4 -","- C26 H42 Li2 N4 -","- C104 H168 Li8 N16 -","4","2","","Anne M. Arink; Claudia M. P. Kronenburg; Johann T. B. H. Jastrzebski; Martin Lutz; Anthony L. Spek; Robert A. Gossage; Gerard van Koten","Diastereoselective Self-Assembly of Chiral Diamine-Chelated Aryllithiums to Dimeric Aggregates","Journal of the American Chemical Society","2004","126","","16249","16258","10.1021/ja045914q","","","0.71073","MoKα","","0.0438","0.0365","","","0.0855","0.0904","","","","","","1.041","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4113253","19.4347","0.0003","19.4347","0.0003","30.1815","0.0005","90","","90","","120","","9872.5","0.3","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C53 H56 B2 N2 O9 -","- C53 H56 B2 N2 O9 -","- C318 H336 B12 N12 O54 -","6","1","","Jianzhang Zhao; Matthew G. Davidson; Mary F. Mahon; Gabriele Kociok-Köhn; Tony D. James","An Enantioselective Fluorescent Sensor for Sugar Acids","Journal of the American Chemical Society","2004","126","","16179","16186","10.1021/ja046289s","","","0.7107","MoKα","","0.0843","0.069","","","0.1822","0.1927","","","","","","1.025","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113254","12.425","0.0003","25.943","0.0006","14.708","0.0005","90","","114.259","0.001","90","","4322.4","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C92.5 H93 B4 Cl N4 O8 -","- C92.5 H93 B4 Cl N4 O8 -","- C185 H186 B8 Cl2 N8 O16 -","2","1","","Jianzhang Zhao; Matthew G. Davidson; Mary F. Mahon; Gabriele Kociok-Köhn; Tony D. James","An Enantioselective Fluorescent Sensor for Sugar Acids","Journal of the American Chemical Society","2004","126","","16179","16186","10.1021/ja046289s","","","0.71073","MoKα","","0.137","0.0627","","","0.1265","0.1493","","","","","","0.959","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113255","6.9969","0.0004","11.1153","0.0006","18.5163","0.001","90","","90","","90","","1440.06","0.14","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 O6 -","- C13 H22 O6 -","- C52 H88 O24 -","4","1","","Tony K. M. Shing; Connie S. K. Kwong; Aries W. C. Cheung; Stanton H.-L. Kok; Zhifeng Yu; Jianmei Li; Christopher H. K. Cheng","Facile, Efficient, and Enantiospecific Syntheses of 1,1'-N-Linked Pseudodisaccharides as a New Class of Glycosidase Inhibitors","Journal of the American Chemical Society","2004","126","","15990","15992","10.1021/ja0470158","","","0.71073","MoKα","","0.0359","0.0319","","","0.0862","0.0886","","","","","","1.047","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113256","12.531","0.003","16.867","0.005","25.965","0.007","90","","90","","90","","5488","3","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C26 H39 N O8 -","- C26 H39 N O8 -","- C208 H312 N8 O64 -","8","1","","Tony K. M. Shing; Connie S. K. Kwong; Aries W. C. Cheung; Stanton H.-L. Kok; Zhifeng Yu; Jianmei Li; Christopher H. K. Cheng","Facile, Efficient, and Enantiospecific Syntheses of 1,1'-N-Linked Pseudodisaccharides as a New Class of Glycosidase Inhibitors","Journal of the American Chemical Society","2004","126","","15990","15992","10.1021/ja0470158","","","0.71073","MoKα","","0.0751","0.0525","","","0.1308","0.1439","","","","","","1.026","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113257","10.73","0.005","10.766","0.005","52.83","0.02","90","","90","","90","","6103","5","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C13 H20 Cl N O5 -","- C13 H20 Cl N O5 -","- C208 H320 Cl16 N16 O80 -","16","2","","Tony K. M. Shing; Connie S. K. Kwong; Aries W. C. Cheung; Stanton H.-L. Kok; Zhifeng Yu; Jianmei Li; Christopher H. K. Cheng","Facile, Efficient, and Enantiospecific Syntheses of 1,1'-N-Linked Pseudodisaccharides as a New Class of Glycosidase Inhibitors","Journal of the American Chemical Society","2004","126","","15990","15992","10.1021/ja0470158","","","0.71073","MoKα","","0.0612","0.0523","","","0.1403","0.145","","","","","","1.075","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113258","5.5129","0.0015","9.654","0.003","13","0.004","90","","90.156","0.006","90","","691.9","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 Cl O4 -","- C13 H19 Cl O4 -","- C26 H38 Cl2 O8 -","2","1","","Tony K. M. Shing; Connie S. K. Kwong; Aries W. C. Cheung; Stanton H.-L. Kok; Zhifeng Yu; Jianmei Li; Christopher H. K. Cheng","Facile, Efficient, and Enantiospecific Syntheses of 1,1'-N-Linked Pseudodisaccharides as a New Class of Glycosidase Inhibitors","Journal of the American Chemical Society","2004","126","","15990","15992","10.1021/ja0470158","","","0.71073","MoKα","","0.1098","0.0587","","","0.1164","0.1406","","","","","","1.062","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113259","12.8412","0.001","14.5056","0.0008","13.9932","0.0009","90","","96.064","0.003","90","","2591.9","0.3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 Au2 Cu N5 O -","- C7 H7 Au2 Cu N5 O -","- C56 H56 Au16 Cu8 N40 O8 -","8","1","","Julie Lefebvre; Raymond J. Batchelor; Daniel B. Leznoff","Cu[Au(CN)2]2(DMSO)2: Golden Polymorphs That Exhibit Vapochromic Behavior","Journal of the American Chemical Society","2004","126","","16117","16125","10.1021/ja049069n","","","1.5418","CuKα","","0.0614","0.0315","","0.0882","0.0456","0.0456","","","","","","0.9297","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113260","7.3438","0.0007","14.1201","0.001","8.2696","0.0006","90","","94.082","0.003","90","","855.34","0.12","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Au Cu0.5 N3 -","- C7 H5 Au Cu0.5 N3 -","- C28 H20 Au4 Cu2 N12 -","4","1","","Julie Lefebvre; Raymond J. Batchelor; Daniel B. Leznoff","Cu[Au(CN)2]2(DMSO)2: Golden Polymorphs That Exhibit Vapochromic Behavior","Journal of the American Chemical Society","2004","126","","16117","16125","10.1021/ja049069n","","","1.5418","CuKα","","0.047","0.0276","","0.1253","0.0401","0.0401","","","","","","0.9969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113261","7.874","0.007","12.761","0.011","16.207","0.013","89.61","0.07","82.29","0.07","88.57","0.07","1613","2","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H24 Au4 Cu2 N8 O4 S4 -","- C16 H24 Au4 Cu2 N8 O4 S4 -","- C32 H48 Au8 Cu4 N16 O8 S8 -","2","1","","Julie Lefebvre; Raymond J. Batchelor; Daniel B. Leznoff","Cu[Au(CN)2]2(DMSO)2: Golden Polymorphs That Exhibit Vapochromic Behavior","Journal of the American Chemical Society","2004","126","","16117","16125","10.1021/ja049069n","","","1.5418","CuKα","","0.1646","0.0618","","0.1858","0.0824","0.0824","","","","","","1.3755","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113262","11.5449","0.0015","14.191","0.004","11.5895","0.0012","90","","112.536","0.009","90","","1753.8","0.6","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H6 Au Cu0.5 N2 O S -","- C4 H6 Au Cu0.5 N2 O S -","- C32 H48 Au8 Cu4 N16 O8 S8 -","8","1","","Julie Lefebvre; Raymond J. Batchelor; Daniel B. Leznoff","Cu[Au(CN)2]2(DMSO)2: Golden Polymorphs That Exhibit Vapochromic Behavior","Journal of the American Chemical Society","2004","126","","16117","16125","10.1021/ja049069n","","","0.7093","MoKα","","0.0845","0.042","","0.0485","0.0467","0.0467","","","","","","2.2018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113263","13.872","0.0006","16.94","0.003","8.902","0.002","90","","91.455","0.007","90","","2091.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2,4-Bis(3-methoxy-4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)-1,3-cyclobutanedi carboxylate","","- C36 H36 O12 S2 -","- C36 H36 O12 S2 -","- C72 H72 O24 S4 -","2","0.5","","Masaya Ichikawa; Masaki Takahashi; Sakae Aoyagi; Chihiro Kibayashi","Total Synthesis of (-)-Incarvilline, (+)-Incarvine C, and (-)-Incarvillateine","Journal of the American Chemical Society","2004","126","","16553","16558","10.1021/ja0401702","","","0.71073","MoKα","","0.0907","0.0683","","","0.1908","0.2071","","","","","","0.952","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113264","7.326","0.0002","8.5","0.0007","25.929","0.002","90","","90","","90","","1614.62","0.19","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (2E)-3-{3-Methoxy-4-[(phenylsulfonyl)oxy]phenyl}-2-propenoate","","- C17 H16 O6 S -","- C17 H16 O6 S -","- C68 H64 O24 S4 -","4","1","","Masaya Ichikawa; Masaki Takahashi; Sakae Aoyagi; Chihiro Kibayashi","Total Synthesis of (-)-Incarvilline, (+)-Incarvine C, and (-)-Incarvillateine","Journal of the American Chemical Society","2004","126","","16553","16558","10.1021/ja0401702","","","0.71073","MoKα","","0.0495","0.0321","","","0.069","0.0736","","","","","","0.716","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113265","7.57","0.001","7.95","0.0007","16.652","0.002","90.097","0.007","83.386","0.006","64.27","0.006","895.27","0.18","296","","","","","","","","","","","5","P -1","-P 1","2","","Methyl (2E)-3-(3-Methoxy-4-{[(2-nitrophenyl)sulfonyl]oxy}phenyl)-2-propenoate","","- C17 H15 N O8 S -","- C17 H15 N O8 S -","- C34 H30 N2 O16 S2 -","2","1","","Masaya Ichikawa; Masaki Takahashi; Sakae Aoyagi; Chihiro Kibayashi","Total Synthesis of (-)-Incarvilline, (+)-Incarvine C, and (-)-Incarvillateine","Journal of the American Chemical Society","2004","126","","16553","16558","10.1021/ja0401702","","","0.71073","MoKα","","0.0529","0.0434","","","0.1176","0.125","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113266","24.603","0.002","8.858","0.0009","15.656","0.002","90","","91.735","0.006","90","","3410.4","0.6","100","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl (2E)-3-(3-Methoxy-4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)-2-propenoate","","- C18 H18 O6 S -","- C18 H18 O6 S -","- C144 H144 O48 S8 -","8","1","","Masaya Ichikawa; Masaki Takahashi; Sakae Aoyagi; Chihiro Kibayashi","Total Synthesis of (-)-Incarvilline, (+)-Incarvine C, and (-)-Incarvillateine","Journal of the American Chemical Society","2004","126","","16553","16558","10.1021/ja0401702","","","0.71073","MoKα","","0.0521","0.045","","","0.1173","0.1226","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113267","11.931","0.003","6.648","0.0007","19.006","0.004","90","","100.632","0.009","90","","1481.6","0.5","296","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(4-nitrophenyl) Bis(4-hydroxy-3-methoxyphenyl)-1,2-cyclobutanedicarboxylate","","- C32 H26 N2 O12 -","- C32 H26 N2 O12 -","- C64 H52 N4 O24 -","2","1","","Masaya Ichikawa; Masaki Takahashi; Sakae Aoyagi; Chihiro Kibayashi","Total Synthesis of (-)-Incarvilline, (+)-Incarvine C, and (-)-Incarvillateine","Journal of the American Chemical Society","2004","126","","16553","16558","10.1021/ja0401702","","","0.71073","MoKα","","0.1134","0.0496","","","0.1064","0.1305","","","","","","0.966","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113268","9.073","0.0012","17.118","0.004","13.309","0.003","90","","117.935","0.013","90","","1826.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2,4-Bis(3-methoxy-4-{[(2-nitrophenyl)sulfonyl]oxy}phenyl)-1,3-cyclobutanedic arboxylate","","- C34 H30 N2 O16 S2 -","- C34 H30 N2 O16 S2 -","- C68 H60 N4 O32 S4 -","2","0.5","","Masaya Ichikawa; Masaki Takahashi; Sakae Aoyagi; Chihiro Kibayashi","Total Synthesis of (-)-Incarvilline, (+)-Incarvine C, and (-)-Incarvillateine","Journal of the American Chemical Society","2004","126","","16553","16558","10.1021/ja0401702","","","0.71073","MoKα","","0.1291","0.0817","","","0.221","0.2574","","","","","","1.03","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113269","11.738","0.002","7.3775","0.0015","15.207","0.003","90","","100.55","0.03","90","","1294.6","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H36 O6 S -","- C29 H36 O6 S -","- C58 H72 O12 S2 -","2","1","","Andrew Nickel; Toru Maruyama; Haifeng Tang; Prescott D. Murphy; Blake Greene; Naeem Yusuff; John L. Wood","Total Synthesis of Ingenol","Journal of the American Chemical Society","2004","126","","16300","16301","10.1021/ja044123l","","","0.71073","MoKα","","0.1404","0.0695","","","0.125","0.1535","","","","","","1.033","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113270","6.8238","0.0014","8.4032","0.0017","15.301","0.003","90","","94.76","0.03","90","","874.4","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","Andrew Nickel; Toru Maruyama; Haifeng Tang; Prescott D. Murphy; Blake Greene; Naeem Yusuff; John L. Wood","Total Synthesis of Ingenol","Journal of the American Chemical Society","2004","126","","16300","16301","10.1021/ja044123l","","","0.71073","MoKα","","0.1088","0.0582","","","0.1099","0.1277","","","","","","1.02","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113271","17.5814","0.001","17.6895","0.001","18.7229","0.0011","90","","100.874","0.001","90","","5718.4","0.6","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H68 B Co N11 -","- C65 H68 B Co N11 -","- C260 H272 B4 Co4 N44 -","4","1","","Xile Hu; Karsten Meyer","Terminal Cobalt(III) Imido Complexes Supported by Tris(Carbene) Ligands: Imido Insertion into the Cobalt-Carbene Bond","Journal of the American Chemical Society","2004","126","","16322","16323","10.1021/ja044271b","","","0.71073","MoKα","","0.0597","0.044","","","0.0937","0.1002","","","","","","1.032","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113272","18.715","0.003","14.361","0.002","22.967","0.004","90","","95.175","0.003","90","","6147.6","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73 H78 B Co N8 O -","- C73 H78 B Co N8 O -","- C292 H312 B4 Co4 N32 O4 -","4","1","","Xile Hu; Karsten Meyer","Terminal Cobalt(III) Imido Complexes Supported by Tris(Carbene) Ligands: Imido Insertion into the Cobalt-Carbene Bond","Journal of the American Chemical Society","2004","126","","16322","16323","10.1021/ja044271b","","","0.71073","MoKα","","0.0894","0.0532","","","0.107","0.1195","","","","","","1.034","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113273","13.2685","0.0013","17.283","0.0017","20.673","0.002","85.323","0.002","79.331","0.002","69.009","0.002","4349","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C103 H113 B2 Co N8 O2.5 -","- C97 H98 B2 Co N8 O -","- C194 H196 B4 Co2 N16 O2 -","2","1","","Xile Hu; Karsten Meyer","Terminal Cobalt(III) Imido Complexes Supported by Tris(Carbene) Ligands: Imido Insertion into the Cobalt-Carbene Bond","Journal of the American Chemical Society","2004","126","","16322","16323","10.1021/ja044271b","","","0.71073","MoKα","","0.0707","0.0498","","","0.1245","0.1329","","","","","","0.983","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113274","20.741","0.002","20.118","0.002","19.862","0.002","90","","92.424","0.002","90","","8280.3","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C98 H102 B2 Co N8 O -","- C98 H102 B2 Co N8 O -","- C392 H408 B8 Co4 N32 O4 -","4","1","","Xile Hu; Karsten Meyer","Terminal Cobalt(III) Imido Complexes Supported by Tris(Carbene) Ligands: Imido Insertion into the Cobalt-Carbene Bond","Journal of the American Chemical Society","2004","126","","16322","16323","10.1021/ja044271b","","","0.71073","MoKα","","0.0886","0.0529","","","0.1196","0.1352","","","","","","1.024","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113275","9.341","0.0009","12.89","0.0012","21.742","0.004","77.351","0.002","89.665","0.003","69.52","0.008","2385.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H62 N4 O6 S24 -","- C72 N6 O4 S24 -","- C72 N6 O4 S24 -","1","0.5","","Kent A. Nielsen; Won-Seob Cho; Jan O. Jeppesen; Vincent M. Lynch; Jan Becher; Jonathan L. Sessler","Tetra-TTF Calix[4]pyrrole: A Rationally Designed Receptor for Electron-Deficient Neutral Guests","Journal of the American Chemical Society","2004","126","","16296","16297","10.1021/ja044664a","","","0.7107","MoKα","","0.2378","0.1834","","","0.3356","0.3447","","","","","","3.275","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113276","12.4868","0.0002","19.4255","0.0003","21.1152","0.0004","111.221","0.001","103.788","0.001","92.493","0.001","4588.99","0.14","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H84 F8 N4 O4 S24 -","- C80 H84 F8 N4 O4 S24 -","- C160 H168 F16 N8 O8 S48 -","2","1","","Kent A. Nielsen; Won-Seob Cho; Jan O. Jeppesen; Vincent M. Lynch; Jan Becher; Jonathan L. Sessler","Tetra-TTF Calix[4]pyrrole: A Rationally Designed Receptor for Electron-Deficient Neutral Guests","Journal of the American Chemical Society","2004","126","","16296","16297","10.1021/ja044664a","","","0.71073","MoKα","","0.1488","0.0593","","","0.1127","0.1408","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113277","12.6227","0.0001","17.5519","0.0002","22.3645","0.0003","112.352","0.001","101.418","0.001","93.336","0.001","4442.97","0.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H84 N4 O0.5 S24 -","- C72.5 H68 N4 O2 S24 -","- C145 H136 N8 O4 S48 -","2","1","","Kent A. Nielsen; Won-Seob Cho; Jan O. Jeppesen; Vincent M. Lynch; Jan Becher; Jonathan L. Sessler","Tetra-TTF Calix[4]pyrrole: A Rationally Designed Receptor for Electron-Deficient Neutral Guests","Journal of the American Chemical Society","2004","126","","16296","16297","10.1021/ja044664a","","","0.71073","MoKα","","0.1418","0.0693","","","0.1355","0.1447","","","","","","1.807","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113278","32.536","0.005","12.237","0.002","10.852","0.002","90","","98.77","0.02","90","","4270.1","1.3","150","","150","","","","","","","","","2","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","αlpha-Zn4Sb3","","","- Sb10 Zn13 -","- Sb10 Zn13 -","- Sb80 Zn104 -","8","","","Johanna Nylén; Magnus Andersson; Sven Lidin; Ulrich Häussermann","The Structure of α-Zn4Sb3: Ordering of the Phonon-Glass Thermoelectric Material β-Zn4Sb3","Journal of the American Chemical Society","2004","126","","16306","16307","10.1021/ja044980p","","","0.71069","MoKα","","0.0502","0.0443","","","0.0513","0.0515","","","","5.35","5.35","4.91","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113279","13.423","0.011","13.495","0.012","13.817","0.012","91.83","0.03","104.6","0.02","111.29","0.03","2235","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H30 Li3 N3 O6 -","- C16.75 H30 Li3 N3 O6 -","- C67 H120 Li12 N12 O24 -","4","2","","Anne J. McNeil; Gilman E. S. Toombes; Sol M. Gruner; Emil Lobkovsky; David B. Collum; Sithamalli V. Chandramouli; Benoit J. Vanasse; Timothy A. Ayers","Diastereoselective Alkylation of β-Amino Esters: Structural and Rate Studies Reveal Alkylations of Hexameric Lithium Enolates","Journal of the American Chemical Society","2004","126","","16559","16568","10.1021/ja045144i","","","0.71073","MoKα","","0.1275","0.0665","","","0.1502","0.1793","","","","","","0.949","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113280","13.1654","0.0002","14.8448","0.0002","16.6288","0.0003","70.9567","0.0006","69.617","0.0007","74.8414","0.0014","2839.31","0.08","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C91 H147 Cl9 N4 O10 P8 Pt4 -","- C91 H147 Cl9 N4 O10 P8 Pt4 -","- C91 H147 Cl9 N4 O10 P8 Pt4 -","1","0.5","","Ki-Whan Chi; Chris Addicott; Atta M. Arif; Peter J. Stang","Ambidentate Pyridyl-carboxylate Ligands in the Coordination-Driven Self-Assembly of 2D Pt Macrocycles: Self-Selection for a Single Isomer","Journal of the American Chemical Society","2004","126","","16569","16574","10.1021/ja045542l","","","0.71073","MoKα","","0.1137","0.0815","","","0.2272","0.2624","","","","","","1.03","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113281","9.659","0.003","18.2763","0.0014","19.802","0.003","90","","91.517","0.01","90","","3494.4","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetra-n-butylammonium 1,3-bis-(4-nitro-phenyl)-urea hydrogen-carbonate bi-hydrate","","","- C30 H51 N5 O10 -","- C30 H51 N5 O10 -","- C120 H204 N20 O40 -","4","1","","Massimo Boiocchi; Laura Del Boca; David Esteban Gómez; Luigi Fabbrizzi; Maurizio Licchelli; Enrico Monzani","Nature of Urea-Fluoride Interaction: Incipient and Definitive Proton Transfer","Journal of the American Chemical Society","2004","126","","16507","16514","10.1021/ja045936c","","","0.71073","MoKα","","0.1995","0.06","","","0.1102","0.1524","","","","","","0.946","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113282","10.0827","0.0017","20.434","0.002","17.282","0.005","90","","106.07","0.02","90","","3421.5","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetra-n-butylammonium 1,3-bis-(4-nitro-phenyl)-urea acetate","","","- C31 H49 N5 O7 -","- C31 H49 N5 O7 -","- C124 H196 N20 O28 -","4","1","","Massimo Boiocchi; Laura Del Boca; David Esteban Gómez; Luigi Fabbrizzi; Maurizio Licchelli; Enrico Monzani","Nature of Urea-Fluoride Interaction: Incipient and Definitive Proton Transfer","Journal of the American Chemical Society","2004","126","","16507","16514","10.1021/ja045936c","","","0.71073","MoKα","","0.2425","0.0757","","","0.1254","0.1794","","","","","","0.98","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113283","18.6339","0.0016","25.6027","0.0014","14.4414","0.0011","90","","99.762","0.01","90","","6789.9","0.9","200","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H58 Ba2 Cl2 Cu2 N8 O33 S4 -","- C52 H58 Ba2 Cl2 Cu2 N8 O33 S4 -","- C208 H232 Ba8 Cl8 Cu8 N32 O132 S16 -","4","1","","Jonathan R. Nitschke; David Schultz; Gérald Bernardinelli; David Gérard","Selection Rules for Helicate Ligand Component Self-Assembly: Steric, pH, Charge, and Solvent Effects","Journal of the American Chemical Society","2004","126","","16538","16543","10.1021/ja046001z","","","0.71073","MoKα","","","0.04","","","","0.038","","","","","","1.12","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113284","12.5079","0.0007","18.8569","0.0012","17.9012","0.0009","90","","92.2","0.006","90","","4219.1","0.4","200","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 B2 Cu2 F8 N8 O8 -","- C36 H44 B2 Cu2 F8 N8 O8 -","- C144 H176 B8 Cu8 F32 N32 O32 -","4","1","","Jonathan R. Nitschke; David Schultz; Gérald Bernardinelli; David Gérard","Selection Rules for Helicate Ligand Component Self-Assembly: Steric, pH, Charge, and Solvent Effects","Journal of the American Chemical Society","2004","126","","16538","16543","10.1021/ja046001z","","","0.71073","MoKα","","","0.033","","","","0.032","","","","","","1.22","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113285","6.3352","0.0009","12.8689","0.0013","9.4987","0.0013","90","","106.283","0.011","90","","743.34","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cr Cs2 H12 O14 S2 -","- Cr Cs2 H12 O14 S2 -","- Cr2 Cs4 H24 O28 S4 -","2","0.5","","Christopher Dobe; Christopher Noble; Graham Carver; Philip L. W. Tregenna-Piggott; Garry J. McIntyre; Anne-Laure Barra; Antonia Neels; Stefan Janssen; Fanni Juranyi","Electronic and Molecular Structure of High-Spin d4 Complexes: Experimental and Theoretical Study of the [Cr(D2O)6]2+ Cation in Tutton's Salts","Journal of the American Chemical Society","2004","126","","16639","16652","10.1021/ja046095c","","","0.71073","MoKα","","0.0316","0.0303","","","0.0734","0.0744","","","","","","1.182","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113286","6.3181","0.0011","12.8039","0.0015","9.493","0.0016","90","","106.135","0.014","90","","737.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cr Cs2 H12 O14 S2 -","- Cr Cs2 H12 O14 S2 -","- Cr2 Cs4 H24 O28 S4 -","2","0.5","","Christopher Dobe; Christopher Noble; Graham Carver; Philip L. W. Tregenna-Piggott; Garry J. McIntyre; Anne-Laure Barra; Antonia Neels; Stefan Janssen; Fanni Juranyi","Electronic and Molecular Structure of High-Spin d4 Complexes: Experimental and Theoretical Study of the [Cr(D2O)6]2+ Cation in Tutton's Salts","Journal of the American Chemical Society","2004","126","","16639","16652","10.1021/ja046095c","","","0.71073","MoKα","","0.0397","0.0313","","","0.0634","0.0683","","","","","","1.243","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113287","6.2446","0.0009","12.4595","0.0015","9.327","0.0014","90","","105.269","0.012","90","","700.07","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cr H12 O14 Rb2 S2 -","- Cr H12 O14 Rb2 S2 -","- Cr2 H24 O28 Rb4 S4 -","2","0.5","","Christopher Dobe; Christopher Noble; Graham Carver; Philip L. W. Tregenna-Piggott; Garry J. McIntyre; Anne-Laure Barra; Antonia Neels; Stefan Janssen; Fanni Juranyi","Electronic and Molecular Structure of High-Spin d4 Complexes: Experimental and Theoretical Study of the [Cr(D2O)6]2+ Cation in Tutton's Salts","Journal of the American Chemical Society","2004","126","","16639","16652","10.1021/ja046095c","","","0.71073","MoKα","","0.0404","0.0354","","","0.0835","0.0873","","","","","","1.117","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113288","6.2163","0.0012","12.3824","0.0016","9.26","0.0015","90","","104.858","0.014","90","","688.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cr H12 O14 Rb2 S2 -","- Cr H12 O14 Rb2 S2 -","- Cr2 H24 O28 Rb4 S4 -","2","0.5","","Christopher Dobe; Christopher Noble; Graham Carver; Philip L. W. Tregenna-Piggott; Garry J. McIntyre; Anne-Laure Barra; Antonia Neels; Stefan Janssen; Fanni Juranyi","Electronic and Molecular Structure of High-Spin d4 Complexes: Experimental and Theoretical Study of the [Cr(D2O)6]2+ Cation in Tutton's Salts","Journal of the American Chemical Society","2004","126","","16639","16652","10.1021/ja046095c","","","0.71073","MoKα","","0.0365","0.0339","","","0.0824","0.0842","","","","","","1.088","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113289","7.0736","0.0012","11.0952","0.0017","16.481","0.002","100.924","0.007","52.792","0.01","100.947","0.005","1006.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(9-fluorenone oxime)0.46","","- C19.98 H12.12 N4.46 Ni O4.46 S2 -","- C14 H10 N4 Ni O4 S2 -","- C28 H20 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1489","0.102","","0.3358","0.2954","","","","","1.076","1.076","","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113290","7.2842","0.0008","11.1375","0.0017","16.5528","0.0013","101.459","0.007","51.297","0.005","100.017","0.006","1024.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(naphthalene)1/2","","- C19 H14 N4 Ni O4 S2 -","- C19 H14 N4 Ni O4 S2 -","- C38 H28 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.0466","0.037","","0.1092","0.1037","","","","","1.117","1.117","","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113291","7.163","0.002","11.161","0.003","16.542","0.004","100.841","0.011","51.733","0.016","101.075","0.013","1014.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(1,5-naphthalenediol)1/2","","- C19 H14 N4 Ni O5 S2 -","- C19 H14 N4 Ni O5 S2 -","- C38 H28 N8 Ni2 O10 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1531","0.0769","","0.2561","0.2142","","","","","1.001","1.001","","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113292","7.2337","0.0007","11.0126","0.0013","16.7266","0.0016","104.59","0.003","54.736","0.005","97.602","0.008","1052.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II)- bis(/m-thiocyanato-N,N',S,S')(anthracene)1/2","","- C21 H15 N4 Ni O4 S2 -","- C21 H15 N4 Ni O4 S2 -","- C42 H30 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.0571","0.0393","","","0.1151","0.1408","","","","","","1.156","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113293","9.6457","0.0004","10.9995","0.0004","18.0253","0.0008","116.502","0.002","55.617","0.002","131.927","0.001","1166.84","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(perylene)1/2","","- C24 H16 N4 Ni O4 S2 -","- C24 H16 N4 Ni O4 S2 -","- C48 H32 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1014","0.0569","","0.129","0.114","","","","","1.118","1.118","","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113294","9.5502","0.0013","11.0709","0.0005","16.5435","0.0012","101.862","0.005","54.837","0.01","127.758","0.008","1100.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(anthraquinone)1/2","","- C21 H14 N4 Ni O5 S2 -","- C21 H14 N4 Ni O5 S2 -","- C42 H28 N8 Ni2 O10 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1139","0.063","","0.1485","0.131","","","","","1.146","1.146","","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113295","7.1699","0.0008","11.1246","0.0007","16.4395","0.001","101.177","0.004","52.427","0.003","100.679","0.006","1015.75","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(phenanthrene)0.33","","- C18.62 H13.3 N4 Ni O4 S2 -","- C14 H10 N4 Ni O4 S2 -","- C28 H20 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.164","0.1013","","0.3149","0.2748","","","","","1.121","1.121","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113296","14.5177","0.0012","11.1164","0.0008","17.036","0.0014","105.706","0.005","64.698","0.006","76.696","0.005","2195.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(azobenzene)1/2","","- C40 H30 N10 Ni2 O8 S4 -","- C40 H30 N10 Ni2 O8 S4 -","- C80 H60 N20 Ni4 O16 S8 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.137","0.0739","","0.178","0.1524","","","","","1.101","1.101","","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113297","7.2428","0.0005","11.0733","0.0003","16.465","0.0005","100.343","0.003","50.698","0.003","100.469","0.002","1001.22","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(p-terphenyl)0.45","","- C22.1 H16.3 N4 Ni O4 S2 -","- C14 H10 N4 Ni O4 S2 -","- C28 H20 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1211","0.093","","0.3246","0.2955","","","","","1.092","1.092","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113298","10.0252","0.0018","11.0678","0.0009","17.9626","0.0018","114.955","0.007","50.81","0.015","131.827","0.013","1151.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(benz[a]anthracene)1/2","","- C23 H16 N4 Ni O4 S2 -","- C23 H16 N4 Ni O4 S2 -","- C46 H32 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1105","0.067","","0.1772","0.1553","","","","","1.096","1.096","","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113299","14.588","0.003","11.1003","0.0015","17.026","0.003","106.347","0.012","64.069","0.011","77.091","0.005","2179","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(benzoic acid pheny ester)1/2","","- C41 H30 N8 Ni2 O10 S4 -","- C41 H30 N8 Ni2 O10 S4 -","- C82 H60 N16 Ni4 O20 S8 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1603","0.0878","","0.2647","0.2175","","","","","1.056","1.056","","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113300","7.1364","0.0005","11.1042","0.0012","16.4885","0.0012","100.589","0.004","51.94","0.003","100.65","0.003","1006.94","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(styrene)0.5","","- C18 H14 N4 Ni O4 S2 -","- C14 H10 N4 Ni O4 S2 -","- C28 H20 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1372","0.0846","","0.2815","0.2455","","","","","1.115","1.115","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113301","7.5146","0.0005","11.1072","0.001","16.5035","0.0012","102.267","0.004","52.054","0.003","96.638","0.004","1061.27","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II)- bis(μ-thiocyanato-N,N',S,S')(biphenyl)1/2","","- C20 H15 N4 Ni O4 S2 -","- C20 H15 N4 Ni O4 S2 -","- C40 H30 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.0565","0.0387","","","0.101","0.1103","","","","","","1.111","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113302","14.4712","0.0002","11.0881","0.0004","16.6043","0.0007","103.158","0.003","65.352","0.002","75.672","0.002","2174.34","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(thianthrene)1/2","","- C40 H28 N8 Ni2 O8 S6 -","- C40 H28 N8 Ni2 O8 S6 -","- C80 H56 N16 Ni4 O16 S12 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1432","0.0731","","0.1621","0.1383","","","","","1.093","1.093","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113303","7.1429","0.0008","11.1149","0.0011","16.2907","0.0018","98.958","0.007","53.86","0.005","99.271","0.004","1027.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(1,4-diethynylbenzene)1/2","","- C19 H13 N4 Ni O4 S2 -","- C19 H13 N4 Ni O4 S2 -","- C38 H26 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1362","0.0721","","0.1894","0.1586","","","","","1.089","1.089","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113304","14.8275","0.0007","11.0772","0.0004","16.5228","0.001","101.697","0.004","64.114","0.005","74.884","0.003","2194.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(9,10-dihydroanthracene)1/2","","- C42 H32 N8 Ni2 O8 S4 -","- C42 H32 N8 Ni2 O8 S4 -","- C84 H64 N16 Ni4 O16 S8 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1844","0.0902","","0.2045","0.164","","","","","1.096","1.096","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113305","17.874","0.0008","11.197","0.0005","16.9305","0.0007","103.836","0.003","78.041","0.004","86.77","0.002","3198.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(triphenylene)1/3","","- C60 H42 N12 Ni3 O12 S6 -","- C60 H42 N12 Ni3 O12 S6 -","- C120 H84 N24 Ni6 O24 S12 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.3059","0.1448","","0.3699","0.289","","","","","1.103","1.103","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113306","14.6748","0.0007","11.0746","0.0004","18.0503","0.0007","115.604","0.003","70.413","0.003","77.837","0.002","2263.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato,N,N',S,S')(diphenylbutadiyne)1/2","","- C44 H30 N8 Ni2 O8 S4 -","- C44 H30 N8 Ni2 O8 S4 -","- C88 H60 N16 Ni4 O16 S8 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.164","0.0742","","0.1703","0.136","","","","","1.034","1.034","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113307","7.5181","0.0007","11.0616","0.0008","16.8055","0.0013","104.147","0.003","51.741","0.003","98.91","0.006","1064.12","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(fluorene)0.45","","- C20 H14.5 N4 Ni O4 S2 -","- C14 H10 N4 Ni O4 S2 -","- C28 H20 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1653","0.1254","","0.4043","0.3691","","","","","1.582","1.582","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113308","7.1116","0.0009","11.1365","0.0014","16.594","0.002","101.335","0.004","52.758","0.005","101.198","0.008","1021","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(mesitylene)0.55","","- C18.95 H16.6 N4 Ni O4 S2 -","- C14 H10 N4 Ni O4 S2 -","- C28 H20 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.0903","0.0731","","0.2563","0.2367","","","","","1.109","1.109","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113309","7.1019","0.0011","11.068","0.002","16.4866","0.0019","100.256","0.008","51.497","0.008","100.532","0.004","993.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(naphthacene)0.45","","- C22.1 H15.4 N4 Ni O4 S2 -","- C14 H10 N4 Ni O4 S2 -","- C28 H20 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1076","0.0753","","0.2834","0.2547","","","","","1.147","1.147","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113310","35.3779","0.0019","14.9202","0.0008","31.2333","0.0017","90","","103.534","0.001","90","","16028.5","1.5","80","2","80","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H72 I6 N12 Zn3 -","- C78 H72 I6 N12 Zn3 -","- C624 H576 I48 N96 Zn24 -","8","1","","Osamu Ohmori; Masaki Kawano; Makoto Fujita","Crystal-to-Crystal Guest Exchange of Large Organic Molecules within a 3D Coordination Network","Journal of the American Chemical Society","2004","126","","16292","16293","10.1021/ja046478a","","","0.71073","MoKα","","0.1071","0.0532","","","0.1129","0.1446","","","","","","1.032","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113311","35.318","0.003","14.8209","0.0012","31.354","0.003","90","","102.884","0.001","90","","15999","2","80","2","80","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68.21 H63.9 I6 N12 Zn3 -","- C68.304 H63.97 I6 N12 Zn3 -","- C546.432 H511.76 I48 N96 Zn24 -","8","1","","Osamu Ohmori; Masaki Kawano; Makoto Fujita","Crystal-to-Crystal Guest Exchange of Large Organic Molecules within a 3D Coordination Network","Journal of the American Chemical Society","2004","126","","16292","16293","10.1021/ja046478a","","","0.71073","MoKα","","0.1723","0.1098","","","0.299","0.3457","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113312","34.1126","0.0011","15.101","0.0005","30.2397","0.001","90","","101.117","0.001","90","","15285.2","0.9","78","2","78","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H36 I6 N13.5 O3 Zn3 -","- C71 H36 I6 N13.5 O3 Zn3 -","- C568 H288 I48 N108 O24 Zn24 -","8","1","","Osamu Ohmori; Masaki Kawano; Makoto Fujita","Crystal-to-Crystal Guest Exchange of Large Organic Molecules within a 3D Coordination Network","Journal of the American Chemical Society","2004","126","","16292","16293","10.1021/ja046478a","","","0.71073","MoKα","","0.1613","0.1075","","","0.2964","0.3423","","","","","","1.014","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113313","34.235","0.004","14.9104","0.0015","31.387","0.003","90","","101.929","0.002","90","","15676","3","80","2","80","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59.99 H43.99 I6 N12 O1.33 P1.33 Zn3 -","- C59.958 H43.965 I6 N12 O1.331 P1.331 Zn3 -","- C479.664 H351.72 I48 N96 O10.648 P10.648 Zn24 -","8","1","","Osamu Ohmori; Masaki Kawano; Makoto Fujita","Crystal-to-Crystal Guest Exchange of Large Organic Molecules within a 3D Coordination Network","Journal of the American Chemical Society","2004","126","","16292","16293","10.1021/ja046478a","","","0.71073","MoKα","","0.2102","0.1284","","","0.3122","0.3689","","","","","","1.027","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113314","10.617","0.002","10.617","0.002","10.617","0.002","90","","90","","90","","1196.8","0.4","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","Manganese prussian blue analogue","","","- C4 H10.16 Mn1.67 N4 O5.08 -","- C4.02 Mn1.67 N4.02 O5.06 -","- C16.08 Mn6.68 N16.08 O20.24 -","4","0.0208333","","Patrick Franz; Christina Ambrus; Andreas Hauser; Dmitry Chernyshov; Marc Hostettler; Jürg Hauser; Lukas Keller; Karl Krämer; Helen Stoeckli-Evans; Philip Pattison; Hans-Beat Bürgi; Silvio Decurtins","Crystalline, Mixed-Valence Manganese Analogue of Prussian Blue: Magnetic, Spectroscopic, X-ray and Neutron Diffraction Studies","Journal of the American Chemical Society","2004","126","","16472","16477","10.1021/ja0465451","","","0.71069","MoKα","","0.0247","0.0228","","","0.059","0.0615","","","","","","1.227","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113315","10.451","0.003","20.497","0.006","16.753","0.005","90","0.0011","90.3493","0.0011","90","0.0011","3588.7","1.8","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-aquo-5-carbasilatrane","","","- C38 H55 O5 Si -","- C38 H55 O5 Si -","- C152 H220 O20 Si4 -","4","1","","Junji Kobayashi; Keiko Kawaguchi; Takayuki Kawashima","Water-Coordinated Neutral Silane Complex: A Frozen Intermediate of Hydrolysis of Alkoxysilanes","Journal of the American Chemical Society","2004","126","","16318","16319","10.1021/ja047249r","","","0.7107","MoKα","","0.0665","0.056","","","0.1194","0.1278","","","","","","1.126","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113316","13.158","0.001","13.577","0.001","16.16","0.002","90","","88.936","0.006","90","","2886.4","0.5","223.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 F6 Ir N2 P -","- C28 H28 F6 Ir N2 P -","- C112 H112 F24 Ir4 N8 P4 -","4","1","","Seiji Ogo; Keiji Uehara; Tsutomu Abura; Yoshihito Watanabe; Shunichi Fukuzumi","pH-Selective Synthesis and Structures of Alkynyl, Acyl, and Ketonyl Intermediates in Anti-Markovnikov and Markovnikov Hydrations of a Terminal Alkyne with a Water-Soluble Iridium Aqua Complex in Water","Journal of the American Chemical Society","2004","126","","16520","16527","10.1021/ja0473541","","","0.7107","MoKα","","","0.0556","","","","0.1551","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113317","14.873","0.005","12.882","0.004","29.567","0.01","90","","95.768","0.004","90","","5636","3","173.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 F6 Ir N2 O P -","- C28 H30 F6 Ir N2 O P -","- C224 H240 F48 Ir8 N16 O8 P8 -","8","2","","Seiji Ogo; Keiji Uehara; Tsutomu Abura; Yoshihito Watanabe; Shunichi Fukuzumi","pH-Selective Synthesis and Structures of Alkynyl, Acyl, and Ketonyl Intermediates in Anti-Markovnikov and Markovnikov Hydrations of a Terminal Alkyne with a Water-Soluble Iridium Aqua Complex in Water","Journal of the American Chemical Society","2004","126","","16520","16527","10.1021/ja0473541","","","0.7107","MoKα","","","0.0449","","","","0.0982","","","","","","0.915","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113318","9.2545","0.0007","18.09","0.002","23.917","0.002","90","","90","","90","","4004","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H7 N S2 -","- C11 H7 N S2 -","- C176 H112 N16 S32 -","16","2","","Christopher A. Thomas; Kyukwan Zong; Khalil A. Abboud; Peter J. Steel; John R. Reynolds","Donor-Mediated Band Gap Reduction in a Homologous Series of Conjugated Polymers","Journal of the American Chemical Society","2004","126","","16440","16450","10.1021/ja048637w","","","0.71073","MoKα","","0.1026","0.056","","","0.1262","0.1531","","","","","","1.014","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113319","18.606","0.003","12.069","0.0018","5.5511","0.0008","90","","90","","90","","1246.5","0.3","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","EDOT-CNV-Th","","","- C13 H9 N O2 S2 -","- C13 H9 N O2 S2 -","- C52 H36 N4 O8 S8 -","4","1","","Christopher A. Thomas; Kyukwan Zong; Khalil A. Abboud; Peter J. Steel; John R. Reynolds","Donor-Mediated Band Gap Reduction in a Homologous Series of Conjugated Polymers","Journal of the American Chemical Society","2004","126","","16440","16450","10.1021/ja048637w","","","0.71073","MoKα","","0.0417","0.0314","","","0.0692","0.0731","","","","","","1.057","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113320","4.942","0.001","10.082","0.002","23.879","0.003","90","","90.43","0.01","90","","1189.7","0.4","148","2","148","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Th-CNV-EDOT","","","- C13 H9 N O2 S2 -","- C13 H9 N O2 S2 -","- C52 H36 N4 O8 S8 -","4","1","","Christopher A. Thomas; Kyukwan Zong; Khalil A. Abboud; Peter J. Steel; John R. Reynolds","Donor-Mediated Band Gap Reduction in a Homologous Series of Conjugated Polymers","Journal of the American Chemical Society","2004","126","","16440","16450","10.1021/ja048637w","","","0.71073","MoKα","","0.0829","0.0394","","","0.0682","0.0738","","","","0.98","0.98","0.757","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113321","8.0521","0.0004","9.5708","0.0005","10.3402","0.0005","107.617","0.001","94.428","0.001","113.677","0.001","677.29","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 N2 O4 S -","- C15 H12 N2 O4 S -","- C30 H24 N4 O8 S2 -","2","1","","Christopher A. Thomas; Kyukwan Zong; Khalil A. Abboud; Peter J. Steel; John R. Reynolds","Donor-Mediated Band Gap Reduction in a Homologous Series of Conjugated Polymers","Journal of the American Chemical Society","2004","126","","16440","16450","10.1021/ja048637w","","","0.71073","MoKα","","0.0386","0.0352","","","0.0949","0.0979","","","","","","1.032","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113322","7.431","0.003","17.951","0.007","11.478","0.004","90","","95.736","0.005","90","","1523.4","1","193.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 F3 N O3 S Te -","- C11 H14 F3 N O3 S Te -","- C44 H56 F12 N4 O12 S4 Te4 -","4","1","","Yuichiro Mutoh; Toshiaki Murai; Shigeru Yamago","Acyclic Telluroiminium Salts: Isolation and Characterization","Journal of the American Chemical Society","2004","126","","16696","16697","10.1021/ja044022n","","","0.7107","MoKα","","","0.0376","","","","0.1072","","","","","","1.311","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113323","22.4832","0.0006","25.2863","0.0007","31.2864","0.0008","81.514","0.002","80.2321","0.0014","78.3354","0.0009","17048.4","0.8","120","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C281 H345 Br4 Cl15 O59 -","- C266 H310 Br4 Cl15 O59 -","- C532 H620 Br8 Cl30 O118 -","2","1","","Elizabeth S. Barrett; Jacob L. Irwin; Alison J. Edwards; Michael S. Sherburn","Superbowl Container Molecules","Journal of the American Chemical Society","2004","126","","16747","16749","10.1021/ja044405l","","","0.71073","MoKα","","0.1062","0.1062","","0.0764","0.0764","0.0764","","","","","","1.0264","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113324","29.162","0.003","29.162","0.003","30.451","0.006","90","","90","","90","","25896","6","80","2","80","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C149 H96 N48 O76 Pd6 -","- C149 H115 N48 O76 Pd6 -","- C596 H460 N192 O304 Pd24 -","4","0.5","","Koji Nakabayashi; Masaki Kawano; Michito Yoshizawa; Shin-ichi Ohkoshi; Makoto Fujita","Cavity-Induced Spin-Spin Interaction between Organic Radicals within a Self-Assembled Coordination Cage","Journal of the American Chemical Society","2004","126","","16694","16695","10.1021/ja044445p","","","0.71073","MoKα","","0.2924","0.1504","","","0.3338","0.4164","","","","","","1.045","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113325","11.244","0.003","13.777","0.003","15.447","0.003","69.953","0.003","89.78","0.004","79.225","0.004","2203.5","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H50 F4 Fe O12 -","- C46 H50 F4 Fe O12 -","- C92 H100 F8 Fe2 O24 -","2","1","","Sungho Yoon; Stephen J. Lippard","Water-Dependent Reactions of Diiron(II) Carboxylate Complexes","Journal of the American Chemical Society","2004","126","","16692","16693","10.1021/ja044489y","","","0.71073","MoKα","","0.0561","0.0501","","","0.1278","0.1333","","","","","","1.065","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113326","14.537","0.003","15.812","0.003","20.001","0.004","92.153","0.003","109.997","0.003","98.874","0.003","4248.3","1.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H82 F8 Fe2 O15 -","- C92 H82 F8 Fe2 O15 -","- C184 H164 F16 Fe4 O30 -","2","1","","Sungho Yoon; Stephen J. Lippard","Water-Dependent Reactions of Diiron(II) Carboxylate Complexes","Journal of the American Chemical Society","2004","126","","16692","16693","10.1021/ja044489y","","","0.71073","MoKα","","0.0709","0.0523","","","0.1452","0.1606","","","","","","0.94","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113327","13.645","0.002","16.523","0.003","16.777","0.003","93.187","0.003","107.174","0.003","95.246","0.003","3585.1","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C173 H136 F16 Fe4 O22 -","- C173 H124 F16 Fe4 O22 -","- C173 H124 F16 Fe4 O22 -","1","0.5","","Sungho Yoon; Stephen J. Lippard","Water-Dependent Reactions of Diiron(II) Carboxylate Complexes","Journal of the American Chemical Society","2004","126","","16692","16693","10.1021/ja044489y","","","0.71073","MoKα","","0.0651","0.0483","","","0.1136","0.1251","","","","","","0.921","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113328","5.7601","0.0015","16.182","0.004","24.356","0.006","90","","92.95","0.004","90","","2267.2","1","110","2","110","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 -","- C29 H38 -","- C116 H152 -","4","1","","Levi J. Irwin; Joseph H. Reibenspies; Stephen A. Miller","A Sterically Expanded ""Constrained Geometry Catalyst"" for Highly Active Olefin Polymerization and Copolymerization: An Unyielding Comonomer Effect","Journal of the American Chemical Society","2004","126","","16716","16717","10.1021/ja044678g","","","0.71073","MoKα","","0.0898","0.0654","","","0.1479","0.1588","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113329","24.079","0.006","11.723","0.003","14.917","0.003","90","","109.199","0.005","90","","3976.6","1.6","110","2","110","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C39 H61 Cl2 N O Si Zr -","- C39 H61 Cl2 N O Si Zr -","- C156 H244 Cl8 N4 O4 Si4 Zr4 -","4","1","","Levi J. Irwin; Joseph H. Reibenspies; Stephen A. Miller","A Sterically Expanded ""Constrained Geometry Catalyst"" for Highly Active Olefin Polymerization and Copolymerization: An Unyielding Comonomer Effect","Journal of the American Chemical Society","2004","126","","16716","16717","10.1021/ja044678g","","","0.71073","MoKα","","0.0928","0.0618","","","0.0907","0.0985","","","","","","1.046","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113330","8.7505","0.0008","21.6323","0.0015","13.6254","0.0008","90","","95.697","0.006","90","","2566.5","0.3","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23.5 H35 Cl3 N2 O2 Ru -","- C23.5 H35 Cl3 N2 O2 Ru -","- C94 H140 Cl12 N8 O8 Ru4 -","4","1","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.71073","MoKα","","0.0536","0.0422","","","0.1157","0.1223","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113331","9.3253","0.0006","16.161","0.005","17.709","0.006","90","","94.734","0.014","90","","2659.8","1.2","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22.5 H32.5 Cl3.5 N2 O3 Ru -","- C22.5 H32.5 Cl3.5 N2 O3 Ru -","- C90 H130 Cl14 N8 O12 Ru4 -","4","1","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.7107","MoKα","","0.0679","0.0527","","","0.1481","0.1659","","","","","","1.188","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113332","8.864","0.001","18.626","0.006","14.885","0.005","90","","100.814","0.019","90","","2413.9","1.2","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H30.5 Cl3.5 N2 O2 Ru -","- C20.5 H30.5 Cl3.5 N2 O2 Ru -","- C82 H122 Cl14 N8 O8 Ru4 -","4","1","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.7107","MoKα","","0.0625","0.0451","","","0.1221","0.1339","","","","","","1.213","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113333","13.0075","0.0009","24.6431","0.0014","18.6453","0.0009","90","","90.045","0.005","90","","5976.7","0.6","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H84 N6 O12 Ru3 -","- C60 H78 N6 O12 Ru3 -","- C240 H312 N24 O48 Ru12 -","4","1","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.71073","MoKα","","0.0659","0.0479","","","0.118","0.1276","","","","","","1.071","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113334","15.289","0.003","15.347","0.003","16.3869","0.0011","103.747","0.011","97.591","0.011","95.256","0.016","3671.8","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H101 N9 O7 Ru3 -","- C75 H99 N9 O7 Ru3 -","- C150 H198 N18 O14 Ru6 -","2","1","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.7107","MoKα","","0.0825","0.0655","","","0.1783","0.2039","","","","","","1.104","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113335","26.0844","0.0007","26.0844","0.0007","26.0844","0.0007","90","","90","","90","","17747.7","0.8","140","2","140","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C90 H117 N9 O6 Rh3 -","- C90 H117 N9 O6 Rh3 -","- C720 H936 N72 O48 Rh24 -","8","0.333333","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.71073","MoKα","","0.029","0.0265","","","0.0648","0.0656","","","","","","1.11","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113336","18.832","0.004","18.832","0.004","13.812","0.005","90","","90","","120","","4242","2","140","2","140","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C60 H81 Ir3 N6 O9 -","- C60 H81 Ir3 N6 O9 -","- C180 H243 Ir9 N18 O27 -","3","0.333333","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.7107","MoKα","","0.0388","0.0314","","","0.0537","0.0566","","","","","","1.013","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113337","8.6222","0.0003","14.5198","0.0005","18.6551","0.0006","90","","99.896","0.001","90","","2300.73","0.13","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H52 N2 O4 P2 Pd -","- C56 H52 N2 O4 P2 Pd -","- C112 H104 N4 O8 P4 Pd2 -","2","1","","Brenda J. Burke; Larry E. Overman","Enantioselective Synthesis of Six-Membered Palladacycles Having Metal-Bound Stereogenic Carbons: Isolation and Reactivity of Palladacycles Containing Readily Accessible β-Hydrogens","Journal of the American Chemical Society","2004","126","","16820","16833","10.1021/ja045047p","","","0.71073","MoKα","","0.0347","0.028","","","0.0549","0.0578","","","","","","1.043","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113338","11.6198","0.0004","32.9442","0.0012","15.9498","0.0006","90","","90.559","0.001","90","","6105.4","0.4","163","2","163","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73.5 H64 N2 O6.5 P2 Pd -","- C73.5 H64 N2 O6.5 P2 Pd -","- C294 H256 N8 O26 P8 Pd4 -","4","2","","Brenda J. Burke; Larry E. Overman","Enantioselective Synthesis of Six-Membered Palladacycles Having Metal-Bound Stereogenic Carbons: Isolation and Reactivity of Palladacycles Containing Readily Accessible β-Hydrogens","Journal of the American Chemical Society","2004","126","","16820","16833","10.1021/ja045047p","","","0.71073","MoKα","","0.0633","0.0472","","","0.1163","0.1256","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113339","10.9672","0.0007","14.5309","0.0011","18.2316","0.0016","90","","103.747","0.003","90","","2822.2","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Zr -","- C34 H46 Zr -","- C136 H184 Zr4 -","4","1","","Christopher A. Bradley; Ivan Keresztes; Emil Lobkovsky; Victor G. Young; Paul J. Chirik","Zirconium Sandwich Complexes with η9 Indenyl Ligands: Well-Defined Precursors for Zirconocene-Mediated Coupling Reactions","Journal of the American Chemical Society","2004","126","","16937","16950","10.1021/ja045072v","","","0.71073","MoKα","","0.1123","0.0498","","","0.0774","0.0919","","","","","","0.963","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113340","10.8131","0.0006","13.2683","0.0007","17.2953","0.0009","90","","94.115","0.001","90","","2475","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 Zr -","- C30 H38 Zr -","- C120 H152 Zr4 -","4","1","","Christopher A. Bradley; Ivan Keresztes; Emil Lobkovsky; Victor G. Young; Paul J. Chirik","Zirconium Sandwich Complexes with η9 Indenyl Ligands: Well-Defined Precursors for Zirconocene-Mediated Coupling Reactions","Journal of the American Chemical Society","2004","126","","16937","16950","10.1021/ja045072v","","","0.71073","MoKα","","0.082","0.0423","","","0.0754","0.086","","","","","","0.988","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113341","15.7325","0.0013","17.0445","0.0015","17.9558","0.0015","73.1","0.002","76.224","0.002","80.831","0.002","4453.3","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H132 Si8 Zr2 -","- C84 H134 Si8 Zr2 -","- C168 H268 Si16 Zr4 -","2","1","","Christopher A. Bradley; Ivan Keresztes; Emil Lobkovsky; Victor G. Young; Paul J. Chirik","Zirconium Sandwich Complexes with η9 Indenyl Ligands: Well-Defined Precursors for Zirconocene-Mediated Coupling Reactions","Journal of the American Chemical Society","2004","126","","16937","16950","10.1021/ja045072v","","","0.71073","MoKα","","0.1111","0.0632","","","0.1229","0.1379","","","","","","1.084","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113342","13.3944","0.0015","15.5061","0.0017","15.1833","0.0017","90","","114.473","0.002","90","","2870.2","0.6","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 F3 O3 P3 S -","- C28 H28 F3 O3 P3 S -","- C112 H112 F12 O12 P12 S4 -","4","1","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","x-ray","0.71073","MoKα","","0.1067","0.0654","","","0.1577","0.18","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113343","10.8925","0.0004","11.9222","0.0004","12.5883","0.0004","80.674","0.001","78.371","0.001","70.066","0.001","1497.51","0.09","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 Cl4 Ga P3 -","- C27 H28 Cl4 Ga P3 -","- C54 H56 Cl8 Ga2 P6 -","2","1","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","x-ray","0.71073","MoKα","","0.0467","0.0397","","","0.0991","0.104","","","","","","1.036","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113344","8.2272","0.0003","21.9817","0.0008","10.2503","0.0004","90","","110.83","0.001","90","","1732.58","0.11","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H32 F3 O3 P3 S -","- C38 H32 F3 O3 P3 S -","- C76 H64 F6 O6 P6 S2 -","2","1","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","","0.71073","MoKα","","0.0365","0.0322","","","0.0738","0.0757","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113345","23.017","0.006","9.523","0.003","18.06","0.005","90","","94.016","0.005","90","","3949","2","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H34 Cl8 Ga2 P4 -","- C29 H34 Cl8 Ga2 P4 -","- C116 H136 Cl32 Ga8 P16 -","4","0.5","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","","0.71073","MoKα","","0.0893","0.0649","","","0.1626","0.1806","","","","","","1.038","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113346","11.9005","0.0007","19.0058","0.0011","12.6136","0.0008","90","","109.699","0.001","90","","2686","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 Cl8 Ga2 P4 -","- C50 H44 Cl8 Ga2 P4 -","- C100 H88 Cl16 Ga4 P8 -","2","0.5","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","x-ray","0.71073","MoKα","","0.0376","0.0305","","","0.0753","0.079","","","","","","1.045","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113347","9.542","0.0007","9.8206","0.0007","11.7943","0.0008","73.331","0.001","88.757","0.001","73.198","0.001","1011.32","0.12","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Cl8 Ga2 P4 -","- C30 H36 Cl8 Ga2 P4 -","- C30 H36 Cl8 Ga2 P4 -","1","0.5","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","","0.71073","MoKα","","0.0364","0.0323","","","0.0855","0.0884","","","","","","1.048","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113348","27.485","0.002","10.863","0.0008","26.3827","0.0019","90","","112.326","0.001","90","","7286.6","0.9","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H34 F6 O6 P4 S2 -","- C31 H34 F6 O6 P4 S2 -","- C248 H272 F48 O48 P32 S16 -","8","1","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","","0.71073","MoKα","","0.0743","0.0462","","","0.1045","0.1171","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113349","23.0184","0.0012","17.8172","0.0009","16.7989","0.0009","90","","106.903","0.001","90","","6592","0.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 Cl8 Ga2 P4 -","- C34 H36 Cl8 Ga2 P4 -","- C204 H216 Cl48 Ga12 P24 -","6","1.5","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","","0.71073","MoKα","","0.127","0.0811","","","0.2193","0.2518","","","","","","1.033","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113350","16.6331","0.0008","16.6331","0.0008","23.423","0.002","90","","90","","90","","6480.2","0.7","173","2","173","2","","","","","","","Nermeen W. Aboelella","4","P -4 21 c","P -4 2n","114","04027","","","- C66 H86 Cu2 N6 -","- C66 H86 Cu2 N6 -","- C264 H344 Cu8 N24 -","4","0.5","","Nermeen W. Aboelella; Sergey V. Kryatov; Benjamin F. Gherman; William W. Brennessel; Victor G. Young; Ritimukta Sarangi; Elena V. Rybak-Akimova; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Christopher J. Cramer; William B. Tolman","Dioxygen Activation at a Single Copper Site: Structure, Bonding, and Mechanism of Formation of 1:1 Cu-O2 Adducts","Journal of the American Chemical Society","2004","126","","16896","16911","10.1021/ja045678j","","","0.71073","MoKα","","0.0505","0.0387","","","0.0886","0.0935","","","","","","1.059","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113351","8.8419","0.0008","20.167","0.0018","20.2321","0.0018","102.313","0.002","96.573","0.002","97.252","0.002","3459.1","0.5","173","2","173","2","","","","","","","Nermeen W. Aboelella","5","P -1","-P 1","2","04049m","","","- C37 H48 Cu N3 O -","- C37 H48 Cu N3 O -","- C148 H192 Cu4 N12 O4 -","4","2","","Nermeen W. Aboelella; Sergey V. Kryatov; Benjamin F. Gherman; William W. Brennessel; Victor G. Young; Ritimukta Sarangi; Elena V. Rybak-Akimova; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Christopher J. Cramer; William B. Tolman","Dioxygen Activation at a Single Copper Site: Structure, Bonding, and Mechanism of Formation of 1:1 Cu-O2 Adducts","Journal of the American Chemical Society","2004","126","","16896","16911","10.1021/ja045678j","","","0.71073","MoKα","","0.0533","0.0382","","","0.0975","0.1072","","","","","","1.036","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113352","15.464","0.004","17.324","0.004","8.763","0.002","90","","90","","90","","2347.6","1","100","2","100","2","","","","","","","Nermeen W. Aboelella","5","I m m 2","I 2 -2","44","CMC080F","","","- C35 H53 Cu N2 O2 -","- C35 H53 Cu N2 O2 -","- C70 H106 Cu2 N4 O4 -","2","0.25","","Nermeen W. Aboelella; Sergey V. Kryatov; Benjamin F. Gherman; William W. Brennessel; Victor G. Young; Ritimukta Sarangi; Elena V. Rybak-Akimova; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Christopher J. Cramer; William B. Tolman","Dioxygen Activation at a Single Copper Site: Structure, Bonding, and Mechanism of Formation of 1:1 Cu-O2 Adducts","Journal of the American Chemical Society","2004","126","","16896","16911","10.1021/ja045678j","","","0.55936","APSsynchrotron","","0.1022","0.0936","","","0.2338","0.243","","","","","","1.291","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4113353","14.739","0.003","10.7869","0.0019","15.771","0.003","90","","90","","90","","2507.4","0.8","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[Cr(Cp*)2][MTCE]","","","- C27 H33 Cr N3 O2 -","- C27 H33 Cr N3 O2 -","- C108 H132 Cr4 N12 O8 -","4","0.5","","Guangbin Wang; Carla Slebodnick; Ray J. Butcher; Mary C. Tam; T. Daniel Crawford; Gordon T. Yee","A Family of Decamethylmetallocene Charge-Transfer Salt Magnets Using Methyl Tricyanoethylenecarboxylate (MTCE) as the Electron Acceptor","Journal of the American Chemical Society","2004","126","","16890","16895","10.1021/ja0457213","","x-ray","1.54178","CuKα","","0.0744","0.0671","","","0.1654","0.1697","","","","","","1.171","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113354","12.5559","0.0007","14.3901","0.0009","15.6599","0.0009","104.293","0.001","96.235","0.001","102.114","0.001","2642.1","0.3","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H64 Cl N3 O12 Pd -","- C56 H64 Cl N3 O12 Pd -","- C112 H128 Cl2 N6 O24 Pd2 -","2","1","","Il Yoon; Mamiko Narita; Toshimi Shimizu; Masumi Asakawa","Threading-Followed-by-Shrinking Protocol for the Synthesis of a [2]Rotaxane Incorporating a Pd(II)-Salophen Moiety","Journal of the American Chemical Society","2004","126","","16740","16741","10.1021/ja0464490","","","0.71073","MoKα","","0.0405","0.0357","","","0.0958","0.0993","","","","","","1.029","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113355","12.574","0.003","19.237","0.004","12.93","0.003","90","","92.821","0.004","90","","3123.8","1.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","01160","","","- C27 H24 F6 Fe N6 O6 S2 -","- C27 H24 F6 Fe N6 O6 S2 -","- C108 H96 F24 Fe4 N24 O24 S8 -","4","1","","Jan-Uwe Rohde; Stéphane Torelli; Xiaopeng Shan; Mi Hee Lim; Eric J. Klinker; József Kaizer; Kui Chen; Wonwoo Nam; Lawrence Que","Structural Insights into Nonheme Alkylperoxoiron(III) and Oxoiron(IV) Intermediates by X-ray Absorption Spectroscopy","Journal of the American Chemical Society","2004","126","","16750","16761","10.1021/ja047667w","","","0.71073","MoKα","","0.1069","0.0678","","","0.146","0.1619","","","","","","1.055","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4113356","9.209","0.006","13.755","0.01","15.137","0.011","96.651","0.012","100.815","0.013","109.097","0.012","1747","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","Benzyl Trispic Iron (II)","","","- C31 H34 F6 Fe N5 O6.5 S2 -","- C29 H29 F6 Fe N5 O6 S2 -","- C58 H58 F12 Fe2 N10 O12 S4 -","2","1","","Jan-Uwe Rohde; Stéphane Torelli; Xiaopeng Shan; Mi Hee Lim; Eric J. Klinker; József Kaizer; Kui Chen; Wonwoo Nam; Lawrence Que","Structural Insights into Nonheme Alkylperoxoiron(III) and Oxoiron(IV) Intermediates by X-ray Absorption Spectroscopy","Journal of the American Chemical Society","2004","126","","16750","16761","10.1021/ja047667w","","","0.71073","MoKα","","0.0599","0.0513","","","0.1409","0.1479","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113357","6.6479","0.0013","13.622","0.003","18.25","0.004","92.781","0.003","92.28","0.003","97.751","0.003","1633.9","0.6","193","2","193","2","","","","","","","","8","P -1","-P 1","2","EISTH14","4'-(p-nicotinamide-N-methylphenyl)-2,2':6',2''-terpyridine bis-hexafluoraphospate platinum (II) chloride (Red Form - Neat)","","- C28 H22 Cl F12 N5 O P2 Pt -","- C28 H22 Cl F12 N5 O P2 Pt -","- C56 H44 Cl2 F24 N10 O2 P4 Pt2 -","2","1","","Thaddeus J. Wadas; Quan-Ming Wang; Yong-joo Kim; Christine Flaschenreim; Thomas N. Blanton; Richard Eisenberg","Vapochromism and Its Structural Basis in a Luminescent Pt(II) Terpyridine-Nicotinamide Complex","Journal of the American Chemical Society","2004","126","","16841","16849","10.1021/ja047955s","","","0.71073","MoKα","","0.0619","0.0472","","","0.0914","0.0949","","","","","","1.105","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113358","6.7965","0.0007","13.8266","0.0014","18.1411","0.0018","94.816","0.002","94.531","0.002","96.362","0.002","1681.6","0.3","193","2","193","2","","","","","","","","8","P -1","-P 1","2","EISTH15","4'-(p-nicotinamide-N-methylphenyl)-2,2':6',2''-terpyridine bis-hexafluoraphospate platinum (II) chloride (Orange Form - Methanol In Lattice)","","- C29 H22 Cl F12 N5 O2 P2 Pt -","- C29 H22 Cl F12 N5 O2 P2 Pt -","- C58 H44 Cl2 F24 N10 O4 P4 Pt2 -","2","1","","Thaddeus J. Wadas; Quan-Ming Wang; Yong-joo Kim; Christine Flaschenreim; Thomas N. Blanton; Richard Eisenberg","Vapochromism and Its Structural Basis in a Luminescent Pt(II) Terpyridine-Nicotinamide Complex","Journal of the American Chemical Society","2004","126","","16841","16849","10.1021/ja047955s","","","0.71073","MoKα","","0.0862","0.0601","","","0.1231","0.1313","","","","","","1.051","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113359","6.6965","0.0012","13.718","0.002","18.274","0.003","92.771","0.003","92.453","0.003","97.378","0.003","1660.8","0.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","EISTH17","4'-(p-nicotinamide-N-methylphenyl)-2,2':6',2''-terpyridine bis-hexafluoraphospate platinum (II) chloride (Red Form - Neat - Room Temperature)","","- C28 H22 Cl F12 N5 O P2 Pt -","- C28 H22 Cl F12 N5 O P2 Pt -","- C56 H44 Cl2 F24 N10 O2 P4 Pt2 -","2","1","","Thaddeus J. Wadas; Quan-Ming Wang; Yong-joo Kim; Christine Flaschenreim; Thomas N. Blanton; Richard Eisenberg","Vapochromism and Its Structural Basis in a Luminescent Pt(II) Terpyridine-Nicotinamide Complex","Journal of the American Chemical Society","2004","126","","16841","16849","10.1021/ja047955s","","","0.71073","MoKα","","0.107","0.0664","","","0.1459","0.1637","","","","","","1.045","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113360","6.9285","0.0014","19.129","0.004","11.109","0.002","90","","99.456","0.004","90","","1452.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N O4 -","- C18 H13 N O4 -","- C72 H52 N4 O16 -","4","1","","Teruyuki Mitsumori; Michael Bendikov; Olivier Dautel; Fred Wudl; Takeshi Shioya; Hideki Sato; Yoshiharu Sato","Synthesis and Properties of Highly Fluorescent Indolizino[3,4,5-ab]isoindoles","Journal of the American Chemical Society","2004","126","","16793","16803","10.1021/ja049214x","","","0.71073","MoKα","","0.1658","0.0528","","","0.0964","0.1181","","","","","","0.839","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113361","3.8634","0.0003","14.7292","0.001","22.3403","0.0015","90","","90","","90","","1271.27","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","1","","Teruyuki Mitsumori; Michael Bendikov; Olivier Dautel; Fred Wudl; Takeshi Shioya; Hideki Sato; Yoshiharu Sato","Synthesis and Properties of Highly Fluorescent Indolizino[3,4,5-ab]isoindoles","Journal of the American Chemical Society","2004","126","","16793","16803","10.1021/ja049214x","","","0.71073","MoKα","","0.0439","0.035","","","0.0831","0.089","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113362","13.165","0.0014","3.9036","0.0004","15.4205","0.0016","90","","104.044","0.002","90","","768.79","0.14","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H14 N2 -","- C23 H14 N2 -","- C46 H28 N4 -","2","1","","Teruyuki Mitsumori; Michael Bendikov; Olivier Dautel; Fred Wudl; Takeshi Shioya; Hideki Sato; Yoshiharu Sato","Synthesis and Properties of Highly Fluorescent Indolizino[3,4,5-ab]isoindoles","Journal of the American Chemical Society","2004","126","","16793","16803","10.1021/ja049214x","","","0.71073","MoKα","","0.0495","0.0364","","","0.085","0.0929","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113363","10.7136","0.0001","16.1166","0.0002","14.4975","0.0001","90","","90.555","0.001","90","","2503.12","0.04","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 B8 N2 P -","- C21 H33 B8 N2 P -","- C84 H132 B32 N8 P4 -","4","1","","Alexandra M. Shedlow; Daniel E. Kadlecek; Jude C. Clapper; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Crystallographic/Computational Characterizations, and Reactions of the First 10-Vertex arachno- and nido-Phosphamonocarbaboranes","Journal of the American Chemical Society","2003","125","","200","211","10.1021/ja020944j","","","0.71069","MoKα","","0.056","0.0503","","0.115","0.112","","","","1.145","1.164","1.164","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113364","13.9467","0.0002","15.8609","0.0002","10.3485","0.0001","90","","101.898","0.001","90","","2239.98","0.05","210","2","210","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H31 B8 N2 P -","- C16 H31 B8 N2 P -","- C64 H124 B32 N8 P4 -","4","1","","Alexandra M. Shedlow; Daniel E. Kadlecek; Jude C. Clapper; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Crystallographic/Computational Characterizations, and Reactions of the First 10-Vertex arachno- and nido-Phosphamonocarbaboranes","Journal of the American Chemical Society","2003","125","","200","211","10.1021/ja020944j","","","0.71069","MoKα","","0.0804","0.071","","0.1433","0.1391","","","","1.272","1.293","1.293","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113365","11.445","0.002","10.723","0.002","25.458","0.005","90","","104.249","0.004","90","","3028.2","1","143","1","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H43 B8 N2 O P S -","- C25 H43 B8 N2 O P S -","- C100 H172 B32 N8 O4 P4 S4 -","4","1","","Alexandra M. Shedlow; Daniel E. Kadlecek; Jude C. Clapper; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Crystallographic/Computational Characterizations, and Reactions of the First 10-Vertex arachno- and nido-Phosphamonocarbaboranes","Journal of the American Chemical Society","2003","125","","200","211","10.1021/ja020944j","","","0.71069","MoKα","","0.1009","0.0728","","0.1449","0.1339","","","","1.119","1.176","1.176","","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113366","10.1307","0.0001","14.8154","0.0004","13.2955","0.0003","90","","101.577","0.002","90","","1954.93","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 B8 Mn O5 P -","- C12 H16 B8 Mn O5 P -","- C48 H64 B32 Mn4 O20 P4 -","4","1","","Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12","Journal of the American Chemical Society","2003","125","","212","220","10.1021/ja020945b","","","0.71069","MoKα","","0.0568","0.0475","","0.0925","0.0889","","","","1.17","1.196","1.196","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113367","11.8876","0.0003","17.2869","0.0004","9.3156","0.0003","90","","90","","90","","1914.35","0.09","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 B8 Fe O2 P -","- C14 H21 B8 Fe O2 P -","- C56 H84 B32 Fe4 O8 P4 -","4","1","","Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12","Journal of the American Chemical Society","2003","125","","212","220","10.1021/ja020945b","","","0.71069","MoKα","","0.036","0.0323","","0.0664","0.0645","","","","1.141","1.141","1.141","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113368","7.8825","0.0003","16.0671","0.0006","6.9036","0.0002","96.392","0.003","106.633","0.002","78.401","0.002","819.29","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 B8 Fe P -","- C12 H19 B8 Fe P -","- C24 H38 B16 Fe2 P2 -","2","1","","Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12","Journal of the American Chemical Society","2003","125","","212","220","10.1021/ja020945b","","","0.7107","MoKα","","0.0435","0.0398","","0.1074","0.1046","","","","1.067","1.081","1.081","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113369","26.0242","0.0006","8.1266","0.0001","14.3484","0.0002","90","","120.364","0.001","90","","2618.28","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H17 B8 Fe P -","- C7 H17 B8 Fe P -","- C56 H136 B64 Fe8 P8 -","8","1","","Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12","Journal of the American Chemical Society","2003","125","","212","220","10.1021/ja020945b","","","0.7107","MoKα","","0.0566","0.0495","","0.0859","0.0834","","","","1.17","1.193","1.193","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113370","9.2231","0.0002","13.4955","0.0003","13.9081","0.0003","90","","96.117","0.001","90","","1721.29","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 B8 Fe2 P -","- C12 H22 B8 Fe2 P -","- C48 H88 B32 Fe8 P4 -","4","1","","Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12","Journal of the American Chemical Society","2003","125","","212","220","10.1021/ja020945b","","","0.7107","MoKα","","0.0474","0.0399","","0.0844","0.0805","","","","1.118","1.127","1.127","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113371","12.4084","0.0001","18.0854","0.0002","22.7549","0.0003","90","","97.616","0.0007","90","","5061.4","0.1","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C91 H102 B16 Cl12 P6 Pt2 -","- C86 H92 B16 Cl2 P6 Pt2 -","- C172 H184 B32 Cl4 P12 Pt4 -","2","0.5","","Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12","Journal of the American Chemical Society","2003","125","","212","220","10.1021/ja020945b","","","0.71069","MoKα","","0.0528","0.048","","0.1275","0.1228","","","","1.088","1.092","1.092","","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113372","11.9097","0.0002","17.2245","0.0004","10.7383","0.0003","99.385","0.001","107.444","0.002","88.53","0.002","2072.77","0.09","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H45 B8 P3 Pt -","- C43 H45 B8 P3 Pt -","- C86 H90 B16 P6 Pt2 -","2","1","","Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12","Journal of the American Chemical Society","2003","125","","212","220","10.1021/ja020945b","","","0.71069","MoKα","","0.04","0.037","","0.0944","0.0917","","","","1.091","1.082","1.082","","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113373","8.9736","0.0005","14.2108","0.0008","14.8927","0.0008","90","","90","","90","","1899.15","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Cl4 O2 Sn -","- C15 H16 Cl4 O2 Sn -","- C60 H64 Cl16 O8 Sn4 -","4","1","","Kazuaki Ishihara; Daisuke Nakashima; Yukihiro Hiraiwa; Hisashi Yamamoto","The Crystallographic Structure of a Lewis Acid-Assisted Chiral Brønsted Acid as an Enantioselective Protonation Reagent for Silyl Enol Ethers","Journal of the American Chemical Society","2003","125","","24","25","10.1021/ja021000x","","","0.71073","MoKα","","0.018","0.0175","","","0.0439","0.0441","","","","","","1.067","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113374","10.7744","0.0004","23.4795","0.001","11.5031","0.0005","90","","112.671","0.001","90","","2685.18","0.19","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H90 N6 O2 Si8 Tm2 -","- C32 H88 N6 O2 Si8 Tm2 -","- C64 H176 N12 O4 Si16 Tm4 -","2","0.5","","William J. Evans; Gaël Zucchi; Joseph W. Ziller","Dinitrogen Reduction by Tm(II), Dy(II), and Nd(II) with Simple Amide and Aryloxide Ligands","Journal of the American Chemical Society","2003","125","","10","11","10.1021/ja0211712","","","0.71073","MoKα","","0.0262","0.0228","","","0.0541","0.0554","","","","","","1.086","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113375","10.8445","0.0004","23.4461","0.0009","11.5625","0.0004","90","","112.631","0.001","90","","2713.53","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 Dy2 N6 O2 Si8 -","- C32 H88 Dy2 N6 O2 Si8 -","- C64 H176 Dy4 N12 O4 Si16 -","2","0.5","","William J. Evans; Gaël Zucchi; Joseph W. Ziller","Dinitrogen Reduction by Tm(II), Dy(II), and Nd(II) with Simple Amide and Aryloxide Ligands","Journal of the American Chemical Society","2003","125","","10","11","10.1021/ja0211712","","","0.71073","MoKα","","0.027","0.0236","","","0.0584","0.0599","","","","","","1.085","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113376","12.2314","0.0009","12.9321","0.001","15.1594","0.0011","74.053","0.001","82.652","0.001","74.06","0.001","2213.4","0.3","188","2","188","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H148 N2 Nd2 O12 -","- C88 H148 N2 Nd2 O12 -","- C88 H148 N2 Nd2 O12 -","1","0.5","","William J. Evans; Gaël Zucchi; Joseph W. Ziller","Dinitrogen Reduction by Tm(II), Dy(II), and Nd(II) with Simple Amide and Aryloxide Ligands","Journal of the American Chemical Society","2003","125","","10","11","10.1021/ja0211712","","","0.71073","MoKα","","0.0744","0.0506","","","0.1181","0.1329","","","","","","1.052","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113377","7.184","0.005","17.077","0.006","13.744","0.004","90","","100.56","0.04","90","","1657.6","1.4","296.2","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C24 H12 Cl4 Fe O10 S8 -","- C24 H12 Cl4 Fe O10 S8 -","- C48 H24 Cl8 Fe2 O20 S16 -","2","0.25","","Kunimitsu Nagayoshi; Md. Khayrul Kabir; Hiroshi Tobita; Kenji Honda; Mitsuhiro Kawahara; Motomi Katada; Keiichi Adachi; Hiroyuki Nishikawa; Isao Ikemoto; Hitoshi Kumagai; Yuko Hosokoshi; Katsuya Inoue; Susumu Kitagawa; Satoshi Kawata","Design of Novel Inorganic-Organic Hybrid Materials Based on Iron-Chloranilate Mononuclear Complexes: Characteristics of Hydrogen-Bond-Supported Layers toward the Intercalation of Guests","Journal of the American Chemical Society","2003","125","","221","232","10.1021/ja027895v","","","0.7107","MoKα","","","0.0357","","","","0.101","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113378","9.32","0.001","13.228","0.002","7.333","0.002","97.08","0.02","112.9","0.01","86.5","0.01","826.4","0.3","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 Cl4 Fe2 O10 -","- C32 H34 Cl4 Fe2 O10 -","- C32 H34 Cl4 Fe2 O10 -","1","0.5","","Kunimitsu Nagayoshi; Md. Khayrul Kabir; Hiroshi Tobita; Kenji Honda; Mitsuhiro Kawahara; Motomi Katada; Keiichi Adachi; Hiroyuki Nishikawa; Isao Ikemoto; Hitoshi Kumagai; Yuko Hosokoshi; Katsuya Inoue; Susumu Kitagawa; Satoshi Kawata","Design of Novel Inorganic-Organic Hybrid Materials Based on Iron-Chloranilate Mononuclear Complexes: Characteristics of Hydrogen-Bond-Supported Layers toward the Intercalation of Guests","Journal of the American Chemical Society","2003","125","","221","232","10.1021/ja027895v","","","0.7107","MoKα","","","0.0411","","","","0.1221","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113379","9.845","0.0005","11.5335","0.0006","25.0299","0.0013","90","","90","","90","","2842.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H43 N O6 S -","- C28 H43 N O6 S -","- C112 H172 N4 O24 S4 -","4","1","","Richard E. Taylor; Yue Chen; Alicia Beatty; David C. Myles; Yiqing Zhou","Conformation-Activity Relationships in Polyketide Natural Products: A New Perspective on the Rational Design of Epothilone Analogues","Journal of the American Chemical Society","2003","125","","26","27","10.1021/ja028196l","","","0.71073","MoKα","","0.0465","0.0442","","","0.1186","0.1211","","","","","","1.035","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113380","6.4227","0.0003","9.8743","0.0004","11.3325","0.0005","84.945","0.001","88.118","0.001","89.872","0.001","715.52","0.05","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H45 N O6 S -","- C28 H45 N O6 S -","- C28 H45 N O6 S -","1","1","","Richard E. Taylor; Yue Chen; Alicia Beatty; David C. Myles; Yiqing Zhou","Conformation-Activity Relationships in Polyketide Natural Products: A New Perspective on the Rational Design of Epothilone Analogues","Journal of the American Chemical Society","2003","125","","26","27","10.1021/ja028196l","","","0.71073","MoKα","","0.0341","0.0333","","","0.0845","0.0853","","","","","","1.039","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113381","13.7573","0.0005","13.7573","0.0005","125.44","0.006","90","","90","","120","","20560.5","1.4","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","tripodand 1-Fe","","","- C66 H71 F12 Fe N7 O10 P2 -","- C66 H69 F11.94 Fe N7 O9.99 P2 -","- C792 H828 F143.28 Fe12 N84 O119.88 P24 -","12","0.333333","","Tatsuya Nabeshima; Yuko Yoshihira; Toshiyuki Saiki; Shigehisa Akine; Ernst Horn","Remarkably Large Positive and Negative Allosteric Effects on Ion Recognition by the Formation of a Novel Helical Pseudocryptand","Journal of the American Chemical Society","2003","125","","28","29","10.1021/ja028750r","","","0.71069","MoKα","","0.1124","0.0751","","","0.1675","0.1936","","","","","","1.047","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113382","22.896","0.008","13.887","0.006","24.427","0.006","90","","106.36","0.02","90","","7452","5","296","2","296","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","tripodand 1-Fe-Cs","","","- C68 H72 Cl Cs F12 Fe N8 O13 P2 -","- C68 H72 Cl Cs F12 Fe N8 O13 P2 -","- C272 H288 Cl4 Cs4 F48 Fe4 N32 O52 P8 -","4","1","","Tatsuya Nabeshima; Yuko Yoshihira; Toshiyuki Saiki; Shigehisa Akine; Ernst Horn","Remarkably Large Positive and Negative Allosteric Effects on Ion Recognition by the Formation of a Novel Helical Pseudocryptand","Journal of the American Chemical Society","2003","125","","28","29","10.1021/ja028750r","","","0.71069","MoKα","","","0.061","","","","0.0615","","","","","","1.689","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113383","21.184","0.003","6.824","0.001","5.892","0.002","90","","90","","90","","851.7","0.3","293","2","293","2","","","","","First dipole-induced polymorph","","","3","P n a 21","P 2c -2n","33","trans (1R*,2R*)-2-hydroxy-1-cycloheptanecarboxylic acid form A","","","- C8 H14 O3 -","- C8 H14 O3 -","- C32 H56 O12 -","4","1","","Alajos Kálmán; László Fábián; Gyula Argay; Gábor Bernáth; Zsuzsanna Gyarmati","Dipole-Induced Polymorphs of trans-2-Hydroxycycloheptanecarboxylic Acid with Virtually the Same Unit Cell","Journal of the American Chemical Society","2003","125","","34","35","10.1021/ja0289447","","","1.54184","CUkα","","0.115","0.1112","","","0.2984","0.3028","","","","","","2.072","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113384","21.185","0.002","6.826","0.001","5.889","0.001","90","","90","","90","","851.6","0.2","293","2","293","2","","","","","Second dipole-induced polymorph","","","3","P n 21 a","P -2ac -2n","33","trans (1R*,2R*)-2-hydroxy-1-cycloheptanecarboxylic acid form B","","","- C8 H14 O3 -","- C8 H14 O3 -","- C32 H56 O12 -","4","1","","Alajos Kálmán; László Fábián; Gyula Argay; Gábor Bernáth; Zsuzsanna Gyarmati","Dipole-Induced Polymorphs of trans-2-Hydroxycycloheptanecarboxylic Acid with Virtually the Same Unit Cell","Journal of the American Chemical Society","2003","125","","34","35","10.1021/ja0289447","","","1.54184","CUkα","","0.0403","0.0371","","","0.1227","0.1275","","","","","","1.112","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113385","17.516","0.004","28.565","0.006","10.116","0.002","90","","90.112","0.004","90","","5061.5","1.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 F6 Fe2 N O3 P3 S2 -","- C14 H22 F6 Fe2 N O3 P3 S2 -","- C112 H176 F48 Fe16 N8 O24 P24 S16 -","8","2","","Xuan Zhao; Chao-Yi Chiang; Matthew L. Miller; Marilyn V. Rampersad; Marcetta Y. Darensbourg","Activation of Alkenes and H2 by [Fe]-H2ase Model Complexes","Journal of the American Chemical Society","2003","125","","518","524","10.1021/ja0280168","","","0.71073","MoKα","","0.2285","0.0743","","","0.1782","0.2816","","","","","","0.688","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113386","11.046","0.002","16.325","0.004","16.485","0.004","117.955","0.004","97.071","0.004","91.898","0.004","2591.8","1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H26 F3 Fe2 O7 P2 S3 -","- C15 H26 F3 Fe2 O7 P2 S3 -","- C60 H104 F12 Fe8 O28 P8 S12 -","4","2","","Xuan Zhao; Chao-Yi Chiang; Matthew L. Miller; Marilyn V. Rampersad; Marcetta Y. Darensbourg","Activation of Alkenes and H2 by [Fe]-H2ase Model Complexes","Journal of the American Chemical Society","2003","125","","518","524","10.1021/ja0280168","","","0.71073","MoKα","","0.0909","0.0701","","","0.1643","0.1817","","","","","","0.925","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113387","20.2596","0.0006","17.7356","0.0006","33.4617","0.0011","90","","90","","90","","12023.3","0.7","98","2","98","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C71 H69 B Fe P4 -","- C71 H69 B Fe P4 -","- C568 H552 B8 Fe8 P32 -","8","1","","Steven D. Brown; Theodore A. Betley; Jonas C. Peters","A Low-Spin d5 Iron Imide: Nitrene Capture by Low-Coordinate Iron(I) Provides the 4-Coordinate Fe(III) Complex [PhB(CH2PPh2)3]Fe\τbN-p-tolyl","Journal of the American Chemical Society","2003","125","","322","323","10.1021/ja028448i","","","0.71073","MoKα","","0.1078","0.0713","","","0.117","0.119","","","","","","3.208","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4113388","10.462","0.001","10.576","0.001","11.877","0.001","110.13","0.01","92.23","0.01","112.6","0.01","1116.7","0.2","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H32 N7 O4 P -","- C19 H32 N7 O4 P -","- C38 H64 N14 O8 P2 -","2","1","","Carsten Schmuck; Wolfgang Wienand","Highly Stable Self-Assembly in Water: Ion Pair Driven Dimerization of a Guanidiniocarbonyl Pyrrole Carboxylate Zwitterion","Journal of the American Chemical Society","2003","125","","452","459","10.1021/ja028485+","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113389","37.752","0.001","4.815","0.001","28.406","0.001","90","","97.83","0.01","90","","5115.4","1.1","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H39 N3 O5 -","- C26 H39 N3 O5 -","- C208 H312 N24 O40 -","8","1","","Carsten Schmuck; Wolfgang Wienand","Highly Stable Self-Assembly in Water: Ion Pair Driven Dimerization of a Guanidiniocarbonyl Pyrrole Carboxylate Zwitterion","Journal of the American Chemical Society","2003","125","","452","459","10.1021/ja028485+","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113390","10.5","0.002","19.809","0.004","21.842","0.004","98.52","0.03","96.69","0.03","102.7","0.03","4330.3","1.7","110","5","110","5","","","","","","","","8","P -1","-P 1","2","","","","- C81 H72 Cl2 F12 N10 O2 Pt3 Sb2 -","- C81 H72 Cl2 F12 N10 O2 Pt3 Sb2 -","- C162 H144 Cl4 F24 N20 O4 Pt6 Sb4 -","2","1","","Andrew J. Goshe; Ian M. Steele; B. Bosnich","Supramolecular Recognition. Terpyridyl Palladium and Platinum Molecular Clefts and Their Association with Planar Platinum Complexes","Journal of the American Chemical Society","2003","125","","444","451","10.1021/ja028910z","","","0.72588","monochromatic","","0.0766","0.0556","","","0.1455","0.165","","","","","","1.041","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113391","9.544","0.001","21.21","0.002","14.297","0.002","90","","101.446","0.004","90","","2836.6","0.6","113.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H37 B F4 I O7.5 -","- C24 H36 B F4 I O7.5 -","- C96 H144 B4 F16 I4 O30 -","4","1","","Masahito Ochiai; Takashi Suefuji; Kazunori Miyamoto; Norihiro Tada; Satoru Goto; Motoo Shiro; Shigeru Sakamoto; Kentaro Yamaguchi","Secondary Hypervalent I(III)...O Interactions: Synthesis and Structure of Hypervalent Complexes of Diphenyl-λ3-iodanes with 18-Crown-6","Journal of the American Chemical Society","2003","125","","769","773","10.1021/ja0211205","","","0.7107","MoKα","","","0.0466","","","","0.1098","","","","","","1.059","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113392","9.5023","0.0004","24.527","0.001","9.5248","0.0005","90","","117.567","0.002","90","","1967.86","0.16","123.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 B2 F8 I2 O6 -","- C36 H44 B2 F8 I2 O6 -","- C72 H88 B4 F16 I4 O12 -","2","0.5","","Masahito Ochiai; Takashi Suefuji; Kazunori Miyamoto; Norihiro Tada; Satoru Goto; Motoo Shiro; Shigeru Sakamoto; Kentaro Yamaguchi","Secondary Hypervalent I(III)...O Interactions: Synthesis and Structure of Hypervalent Complexes of Diphenyl-λ3-iodanes with 18-Crown-6","Journal of the American Chemical Society","2003","125","","769","773","10.1021/ja0211205","","","0.7107","MoKα","","","0.0273","","","","0.0771","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113393","16.331","0.003","17.298","0.004","17.968","0.004","90","","90","","90","","5075.8","1.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(cyclopentadienyl)(2,6-diisopropylphenylimido)(trimethylphosphine) (dimethylchlorosilyl)(hydrido) tantalum (V)","","- C21 H35 Cl2 N P Si Ta -","- C18.44 H28.77 Cl1.431 N0.9 P0.83 Si0.81 Ta0.84 -","- C147.52 H230.16 Cl11.448 N7.2 P6.64 Si6.48 Ta6.72 -","8","1","","Stuart R. Dubberley; Stanislav K. Ignatov; Nicholas H. Rees; Alexei G. Razuvaev; Philip Mountford; Georgii I. Nikonov","Are J(Si-H) NMR Coupling Constants Really a Probe for the Existence of Nonclassical H-Si Interactions?","Journal of the American Chemical Society","2003","125","","642","643","10.1021/ja027935v","","","0.71073","MoKα","","0.0441","0.0349","","","0.0955","0.1008","","","","","","0.998","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113394","12.4161","0.0002","14.4522","0.0002","14.4784","0.0002","112.733","0.001","109.719","0.001","101.041","0.001","2094.91","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H29 B Cu F20 N5 -","- C43 H29 B Cu F20 N5 -","- C86 H58 B2 Cu2 F40 N10 -","2","1","","Christiana Xin Zhang; Hong-Chang Liang; Eun-il Kim; Jason Shearer; Matthew E. Helton; Eunsuk Kim; Susan Kaderli; Christopher D. Incarvito; Andreas D. Zuberbühler; Arnold L. Rheingold; Kenneth D. Karlin","Tuning Copper-Dioxygen Reactivity and Exogenous Substrate Oxidations via Alterations in Ligand Electronics","Journal of the American Chemical Society","2003","125","","634","635","10.1021/ja028779v","","","0.71073","MoKα","","0.0828","0.0469","","","0.1143","0.1304","","","","","","1.069","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113395","12.765","0.003","12.811","0.003","13.946","0.003","95.816","0.004","103.002","0.004","104.417","0.003","2122","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H26 B Cu F20 N4 O2 -","- C43 H26 B Cu F20 N4 O2 -","- C86 H52 B2 Cu2 F40 N8 O4 -","2","1","","Christiana Xin Zhang; Hong-Chang Liang; Eun-il Kim; Jason Shearer; Matthew E. Helton; Eunsuk Kim; Susan Kaderli; Christopher D. Incarvito; Andreas D. Zuberbühler; Arnold L. Rheingold; Kenneth D. Karlin","Tuning Copper-Dioxygen Reactivity and Exogenous Substrate Oxidations via Alterations in Ligand Electronics","Journal of the American Chemical Society","2003","125","","634","635","10.1021/ja028779v","","","0.71073","MoKα","","0.135","0.0555","","","0.1021","0.1245","","","","","","0.872","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113396","6.3644","0.0005","16.9806","0.0015","16.7224","0.0013","90","","92.693","0.003","90","","1805.2","0.3","183","","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(cyclohexyl isocyanide) gold hexafluorphosphate (colorless)","","","- C14 H22 Au F6 N2 P -","- C14 H22 Au F6 N2 P -","- C56 H88 Au4 F24 N8 P4 -","4","1","","Rochelle L. White-Morris; Marilyn M. Olmstead; Alan L. Balch","Aurophilic Interactions in Cationic Gold Complexes with Two Isocyanide Ligands. Polymorphic Yellow and Colorless Forms of [(Cyclohexyl Isocyanide)2AuI](PF6) with Distinct Luminescence","Journal of the American Chemical Society","2003","125","","1033","1040","10.1021/ja020902v","","","0.71073","MoKα","","0.0369","0.0188","","","0.0466","0.0528","","","","","","0.996","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113397","11.5235","0.0007","24.1416","0.0015","26.0516","0.0016","90","","90","","90","","7247.4","0.8","91","2","91","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","bis(cyclohexyl isocyanide)gold hexafluorophosphate (yellow)","","","- C14 H22 Au F6 N2 P -","- C14 H22 Au F6 N2 P -","- C224 H352 Au16 F96 N32 P16 -","16","4","","Rochelle L. White-Morris; Marilyn M. Olmstead; Alan L. Balch","Aurophilic Interactions in Cationic Gold Complexes with Two Isocyanide Ligands. Polymorphic Yellow and Colorless Forms of [(Cyclohexyl Isocyanide)2AuI](PF6) with Distinct Luminescence","Journal of the American Chemical Society","2003","125","","1033","1040","10.1021/ja020902v","","","0.71073","MoKα","","0.0845","0.0552","","","0.1111","0.1234","","","","","","0.96","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113398","9.8097","0.0007","9.8097","0.0007","9.8097","0.0007","90","","90","","90","","943.99","0.12","90","2","90","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","bis(methyl isocyanide) gold PF6","","","- C4 H6 Au F6 N2 P -","- C4 H6 Au F6 N2 P -","- C16 H24 Au4 F24 N8 P4 -","4","0.166667","","Rochelle L. White-Morris; Marilyn M. Olmstead; Alan L. Balch","Aurophilic Interactions in Cationic Gold Complexes with Two Isocyanide Ligands. Polymorphic Yellow and Colorless Forms of [(Cyclohexyl Isocyanide)2AuI](PF6) with Distinct Luminescence","Journal of the American Chemical Society","2003","125","","1033","1040","10.1021/ja020902v","","","0.71073","MoKα","","0.0407","0.0356","","","0.0727","0.0745","","","","","","1.179","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113399","15.6269","0.0011","6.2166","0.0004","17.1546","0.0012","90","0.01","90.067","0.001","90","0.01","1666.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 Cl4 N4 Na2 O4 -","- C36 H22 Cl4 N4 Na2 O4 -","- C72 H44 Cl8 N8 Na4 O8 -","2","0.5","","Annie J. Middleton; William J. Marshall; Nora S. Radu","Elucidation of the Structure of a Highly Efficient Blue Electroluminescent Material","Journal of the American Chemical Society","2003","125","","880","881","10.1021/ja027323a","","","0.71073","MoKα","","0.0746","0.042","","","0.085","0.093","","","","","","0.89","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113400","12.4456","0.0002","14.6922","0.0002","16.5225","0.0003","90","","103.775","0.0006","90","","2934.3","0.08","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41 Cl N2 Ni -","- C30 H41 Cl N2 Ni -","- C120 H164 Cl4 N8 Ni4 -","4","1","","Benjamin R. Dible; Matthew S. Sigman","Unusual Reactivity of Molecular Oxygen with π-Allylnickel(N-heterocyclic carbene) Chloride Complexes","Journal of the American Chemical Society","2003","125","","872","873","10.1021/ja0286876","","","0.71073","MoKα","","0.0508","0.0338","","","0.0792","0.0869","","","","","","1.018","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113401","12.3078","0.0002","16.8989","0.0002","14.1714","0.0002","90","","112.976","0.0006","90","","2713.65","0.07","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H74 Cl2 N4 Ni2 O2 -","- C54 H74 Cl2 N4 Ni2 O2 -","- C108 H148 Cl4 N8 Ni4 O4 -","2","0.5","","Benjamin R. Dible; Matthew S. Sigman","Unusual Reactivity of Molecular Oxygen with π-Allylnickel(N-heterocyclic carbene) Chloride Complexes","Journal of the American Chemical Society","2003","125","","872","873","10.1021/ja0286876","","","0.71073","MoKα","","0.038","0.03","","","0.0713","0.0759","","","","","","1.04","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113402","8.4454","0.0002","14.3403","0.0004","18.7691","0.0005","90","","90.112","0.0011","90","","2273.11","0.1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H34 N2 Se2 Si2 Zn -","- C12 H34 N2 Se2 Si2 Zn -","- C48 H136 N8 Se8 Si8 Zn4 -","4","1","","Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan","Zinc Chalcogenolate Complexes as Capping Agents in the Synthesis of Ternary II-II'-VI Nanoclusters: Structure and Photophysical Properties of [(N,N'-tmeda)5Zn5Cd11Se13(SePh)6(thf)2]","Journal of the American Chemical Society","2003","125","","864","865","10.1021/ja028800s","","","0.71073","MoKα","","0.1002","0.0447","","","0.0808","0.0953","","","","","","1.003","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113403","17.3933","0.0014","36.592","0.003","46.151","0.004","90","","90","","90","","29373","4","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C86 H150 Cd11 N10 O5 Se19 Zn5 -","- C86 Cd11 N10 O5 Se19 Zn5 -","- C688 Cd88 N80 O40 Se152 Zn40 -","8","1","","Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan","Zinc Chalcogenolate Complexes as Capping Agents in the Synthesis of Ternary II-II'-VI Nanoclusters: Structure and Photophysical Properties of [(N,N'-tmeda)5Zn5Cd11Se13(SePh)6(thf)2]","Journal of the American Chemical Society","2003","125","","864","865","10.1021/ja028800s","","","0.71073","MoKα","","0.1625","0.0927","","","0.2018","0.2183","","","","","","1.176","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113404","18.2135","0.0011","19.0174","0.0011","22.9457","0.0013","67.153","0.001","67.873","0.001","62.286","0.001","6293.9","0.6","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C77 H133 Cd11 N10 O2 Te19 Zn5 -","- C77 Cd11 N10 O2 Te19 Zn5 -","- C154 Cd22 N20 O4 Te38 Zn10 -","2","1","","Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan","Zinc Chalcogenolate Complexes as Capping Agents in the Synthesis of Ternary II-II'-VI Nanoclusters: Structure and Photophysical Properties of [(N,N'-tmeda)5Zn5Cd11Se13(SePh)6(thf)2]","Journal of the American Chemical Society","2003","125","","864","865","10.1021/ja028800s","","","0.71073","MoKα","","0.1304","0.0685","","","0.1199","0.1336","","","","","","1.13","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113405","11.7719","0.0006","12.2522","0.0008","24.011","0.001","90","","80.591","0.002","90","","3416.6","0.3","123.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H24 F30 N10 O2 -","- C74 H24 F30 N10 O2 -","- C148 H48 F60 N20 O4 -","2","0.5","","Alagar Srinivasan; Tomoya Ishizuka; Atsuhiro Osuka; Hiroyuki Furuta","Doubly N-Confused Hexaphyrin: A Novel Aromatic Expanded Porphyrin that Complexes Bis-metals in the Core","Journal of the American Chemical Society","2003","125","","878","879","10.1021/ja029018v","","","0.7107","MoKα","","","0.051","","","","0.06","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113406","11.8948","0.0007","17.819","0.001","29.433","0.002","90","","89.829","0.001","90","","6238.4","0.7","123.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H10 F30 N6 Ni2 O2 -","- C72 H24 F30 N6 Ni2 O2 -","- C288 H96 F120 N24 Ni8 O8 -","4","1","","Alagar Srinivasan; Tomoya Ishizuka; Atsuhiro Osuka; Hiroyuki Furuta","Doubly N-Confused Hexaphyrin: A Novel Aromatic Expanded Porphyrin that Complexes Bis-metals in the Core","Journal of the American Chemical Society","2003","125","","878","879","10.1021/ja029018v","","","0.7107","MoKα","","","0.113","","","","0.142","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113407","12.1352","0.0015","13.9997","0.0016","17.118","0.002","80.135","0.003","78.298","0.002","88.082","0.002","2805.6","0.6","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C50 H58 B Cl5 F4 O Os P2 Si2 -","- C50 H58 B Cl5 F4 O Os P2 Si2 -","- C100 H116 B2 Cl10 F8 O2 Os2 P4 Si4 -","2","1","","Ting Bin Wen; Sze Ming Ng; Wai Yiu Hung; Zhong Yuan Zhou; Man Fung Lo; Lai-Yung Shek; Ian D. Williams; Zhenyang Lin; Guochen Jia","Protonation and Bromination of an Osmabenzyne: Reactions Leading to the Formation of New Metallabenzynes","Journal of the American Chemical Society","2003","125","","884","885","10.1021/ja029110r","","","0.71073","MoKα","","0.052","0.0402","","","0.1025","0.1081","","","","","","0.994","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113408","10.0243","0.0009","22.59","0.002","17.5821","0.0016","90","","94.246","0.002","90","","3970.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43.5 H39 Cl5 Os P2 -","- C43.5 H39 Cl5 Os P2 -","- C174 H156 Cl20 Os4 P8 -","4","1","","Ting Bin Wen; Sze Ming Ng; Wai Yiu Hung; Zhong Yuan Zhou; Man Fung Lo; Lai-Yung Shek; Ian D. Williams; Zhenyang Lin; Guochen Jia","Protonation and Bromination of an Osmabenzyne: Reactions Leading to the Formation of New Metallabenzynes","Journal of the American Chemical Society","2003","125","","884","885","10.1021/ja029110r","","","0.71073","MoKα","","0.0926","0.0507","","","0.0899","0.1027","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113409","19.0283","0.001","18.9544","0.001","21.4819","0.0011","90","","90","","90","","7747.9","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H34 Br4 Os P2 -","- C42 H34 Br4 Os P2 -","- C336 H272 Br32 Os8 P16 -","8","1","","Ting Bin Wen; Sze Ming Ng; Wai Yiu Hung; Zhong Yuan Zhou; Man Fung Lo; Lai-Yung Shek; Ian D. Williams; Zhenyang Lin; Guochen Jia","Protonation and Bromination of an Osmabenzyne: Reactions Leading to the Formation of New Metallabenzynes","Journal of the American Chemical Society","2003","125","","884","885","10.1021/ja029110r","","","0.71073","MoKα","","0.0395","0.0276","","","0.0569","0.0601","","","","","","1.037","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113410","10.915","0.003","13.024","0.005","23.832","0.006","90","","102.27","","90","","3310.5","1.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 Cl2 N5 O2 S Zn -","- C31 H39 Cl2 N5 O2 S Zn -","- C124 H156 Cl8 N20 O8 S4 Zn4 -","4","1","","Jennifer N. Smith; Zahida Shirin; Carl J. Carrano","Control of Thiolate Nucleophilicity and Specificity in Zinc Metalloproteins by Hydrogen Bonding: Lessons from Model Compound Studies","Journal of the American Chemical Society","2003","125","","868","869","10.1021/ja029418i","","","0.71073","MoKα","","0.0796","0.0563","","0.2345","0.1446","","","","1.031","1.025","1.025","","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113411","10.356","0.002","13.93","0.003","16.68","0.003","90","","92.29","0.03","90","","2404.3","0.8","153","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N5 O S2 Zn -","- C22 H29 N5 O S2 Zn -","- C88 H116 N20 O4 S8 Zn4 -","4","1","","Jennifer N. Smith; Zahida Shirin; Carl J. Carrano","Control of Thiolate Nucleophilicity and Specificity in Zinc Metalloproteins by Hydrogen Bonding: Lessons from Model Compound Studies","Journal of the American Chemical Society","2003","125","","868","869","10.1021/ja029418i","","","0.71073","MoKα","","0.0692","0.0407","","0.1066","0.0943","","","","1","1.048","1.048","","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113412","13.78","0.002","13.386","0.002","15.197","0.002","90","","91.05","","90","","2802.8","0.7","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 B F4 N5 O S2 Zn -","- C23 H32 B F4 N5 O S2 Zn -","- C92 H128 B4 F16 N20 O4 S8 Zn4 -","4","1","","Jennifer N. Smith; Zahida Shirin; Carl J. Carrano","Control of Thiolate Nucleophilicity and Specificity in Zinc Metalloproteins by Hydrogen Bonding: Lessons from Model Compound Studies","Journal of the American Chemical Society","2003","125","","868","869","10.1021/ja029418i","","","0.71073","MoKα","","0.2045","0.0748","","0.1766","0.1156","","","","1.031","1.201","1.201","","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113413","17.9119","0.0002","9.8395","0.0001","17.074","0.0002","90","","111.652","0.001","90","","2796.87","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N5 O3 S Zn -","- C26 H26 N5 O3 S Zn -","- C104 H104 N20 O12 S4 Zn4 -","4","1","","Jennifer N. Smith; Zahida Shirin; Carl J. Carrano","Control of Thiolate Nucleophilicity and Specificity in Zinc Metalloproteins by Hydrogen Bonding: Lessons from Model Compound Studies","Journal of the American Chemical Society","2003","125","","868","869","10.1021/ja029418i","","","0.71073","MoKα","","0.0707","0.0476","","0.124","0.1136","","","","1.071","1.134","1.134","","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113414","5.8655","0.0002","10.3184","0.0004","13.7171","0.0007","77.207","0.002","88.146","0.002","75.752","0.002","784.47","0.06","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C40 H44 O4 -","2","1","","David F. Cauble; John D. Gipson; Michael J. Krische","Diastereo- and Enantioselective Catalytic Carbometallative Aldol Cycloreduction: Tandem Conjugate Addition-Aldol Cyclization","Journal of the American Chemical Society","2003","125","","1110","1111","10.1021/ja0211095","","","0.71073","MoKα","","0.0627","0.0438","","","0.0939","0.104","","","","","","1.002","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113415","8.31","0.0004","15.6828","0.0008","18.0724","0.0012","90","","90","","90","","2355.3","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 Fe N2 P S2 -","- C23 H31 Fe N2 P S2 -","- C92 H124 Fe4 N8 P4 S8 -","4","1","","Prasanta Ghosh; Eckhard Bill; Thomas Weyhermüller; Frank Neese; Karl Wieghardt","Noninnocence of the Ligand Glyoxal-bis(2-mercaptoanil). The Electronic Structures of [Fe(gma)]2, [Fe(gma)(py)].py, [Fe(gma)(CN)]1-/0, [Fe(gma)I], and [Fe(gma)(PR3)n] (n= 1, 2). Experimental and Theoretical Evidence for ""Excited State"" Coordination","Journal of the American Chemical Society","2003","125","","1293","1308","10.1021/ja021123h","","","0.71073","MoKα","","0.0619","0.0547","","0.109","0.1041","","","","1.215","1.241","1.241","","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113416","35.903","0.005","18.501","0.003","21.183","0.003","90","","115.992","0.003","90","","12647","3","293","2","293","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","UCR-18GaS-AEP","","","- Ga10 S19 -","- Ga10 S19 -","- Ga80 S152 -","8","1","","Nanfeng Zheng; Xianhui Bu; Pingyun Feng","Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices","Journal of the American Chemical Society","2003","125","","1138","1139","10.1021/ja021274k","","","0.71073","MoKα","","0.1064","0.0641","","","0.2027","0.2224","","","","","","1.037","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113417","21.087","0.002","21.087","0.002","35.582","0.006","90","","90","","90","","15822","3","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","UCR-19ZnGaS-TETA","","","- Ga26 S51 Zn4 -","- Ga26 S51 Zn4 -","- Ga104 S204 Zn16 -","4","0.25","","Nanfeng Zheng; Xianhui Bu; Pingyun Feng","Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices","Journal of the American Chemical Society","2003","125","","1138","1139","10.1021/ja021274k","","","0.71073","MoKα","","0.1229","0.0608","","","0.1943","0.2197","","","","","","1.001","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113418","22.595","0.003","22.595","0.003","40.905","0.008","90","","90","","90","","20883","6","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","UCR-5ZnGaS-BAPP","","","- Ga16 S33 Zn4 -","- Ga16 S33 Zn4 -","- Ga128 S264 Zn32 -","8","0.25","","Nanfeng Zheng; Xianhui Bu; Pingyun Feng","Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices","Journal of the American Chemical Society","2003","125","","1138","1139","10.1021/ja021274k","","","0.71073","MoKα","","0.1436","0.0671","","","0.2434","0.2802","","","","","","0.931","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113419","19.201","0.002","19.201","0.002","29.815","0.004","90","","90","","90","","10992","2","293","2","293","2","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","UCR-7GaS-TETA","","","- Ga10 S18 -","- Ga10 S18 -","- Ga80 S144 -","8","0.25","","Nanfeng Zheng; Xianhui Bu; Pingyun Feng","Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices","Journal of the American Chemical Society","2003","125","","1138","1139","10.1021/ja021274k","","","0.71073","MoKα","","0.0753","0.0585","","","0.2341","0.2422","","","","","","1.129","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113420","19.22","0.003","19.22","0.003","29.866","0.006","90","","90","","90","","11033","3","293","2","293","2","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","UCR-7GaS-TAEA","","","- Ga10 S18 -","- Ga10 S18 -","- Ga80 S144 -","8","0.25","","Nanfeng Zheng; Xianhui Bu; Pingyun Feng","Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices","Journal of the American Chemical Society","2003","125","","1138","1139","10.1021/ja021274k","","","0.71073","MoKα","","0.0724","0.058","","","0.2256","0.2323","","","","","","1.147","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113421","19.7145","0.0018","19.7145","0.0018","30.995","0.004","90","","90","","90","","12047","2","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","UCR-7GaInS-TETA","","","- Ga4.5 In5.5 S18 -","- Ga4.6 In5.4 S18 -","- Ga36.8 In43.2 S144 -","8","0.25","","Nanfeng Zheng; Xianhui Bu; Pingyun Feng","Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices","Journal of the American Chemical Society","2003","125","","1138","1139","10.1021/ja021274k","","","0.71073","MoKα","","0.0957","0.0587","","","0.2376","0.2591","","","","","","1.255","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113422","20.318","0.002","20.318","0.002","31.994","0.005","90","","90","","90","","13208","3","293","2","293","2","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","UCR-7InS-AEP","","","- In5 S9 -","- In5 S9 -","- In80 S144 -","16","0.5","","Nanfeng Zheng; Xianhui Bu; Pingyun Feng","Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices","Journal of the American Chemical Society","2003","125","","1138","1139","10.1021/ja021274k","","","0.71073","MoKα","","0.0756","0.0474","","","0.1928","0.2054","","","","","","1.338","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113423","16.973","0.0016","16.973","0.0016","18.229","0.002","90","","90","","90","","5251.5","0.9","173","2","173","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C24 H33 Cl Cu N4 O5.5 S -","- C18 H9 Cl Cu N4 O4 S -","- C144 H72 Cl8 Cu8 N32 O32 S8 -","8","1","","Matthew E. Helton; Peng Chen; Partha P. Paul; Zoltán Tyeklár; Roger D. Sommer; Lev N. Zakharov; Arnold L. Rheingold; Edward I. Solomon; Kenneth D. Karlin","Reaction of Elemental Sulfur with a Copper(I) Complex Forming a trans-μ-1,2 End-On Disulfide Complex: New Directions in Copper-Sulfur Chemistry","Journal of the American Chemical Society","2003","125","","1160","1161","10.1021/ja027574j","","","0.71073","MoKα","","0.0859","0.072","","","0.1644","0.1709","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113424","7.8641","0.0002","8.2857","0.0002","18.2282","0.0005","102.388","","91.132","0.001","108.175","","1097.39","0.05","123","2","123","2","","","","","","","synthesis as described","6","P -1","-P 1","2","VOCl3 + carbene","","","- C21 H24 Cl3 N2 O V -","- C21 H24 Cl3 N2 O V -","- C42 H48 Cl6 N4 O2 V2 -","2","1","","Colin D. Abernethy; Gareth M. Codd; Mark D. Spicer; Michelle K. Taylor","A Highly Stable N-Heterocyclic Carbene Complex of Trichloro-oxo-vanadium(V) Displaying Novel Cl-Ccarbene Bonding Interactions","Journal of the American Chemical Society","2003","125","","1128","1129","10.1021/ja0276321","","x-ray","0.71073","MoKα","","0.0557","0.0363","","","0.0795","0.0873","","","","","","1.003","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113425","9.567","0.004","10.217","0.005","13.598","0.005","90","","108.139","0.018","90","","1263.1","0.9","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H36 Cl2 Si W -","- C26 H36 Cl2 Si W -","- C52 H72 Cl4 Si2 W2 -","2","1","","David G. Churchill; Kevin E. Janak; Joshua S. Wittenberg; Gerard Parkin","Normal and Inverse Primary Kinetic Deuterium Isotope Effects for C-H Bond Reductive Elimination and Oxidative Addition Reactions of Molybdenocene and Tungstenocene Complexes: Evidence for Benzene σ-Complex Intermediates","Journal of the American Chemical Society","2003","125","","1403","1420","10.1021/ja027670k","","","0.71073","MoKα","","0.027","0.0249","","","0.0599","0.0609","","","","","","1.058","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113426","10.257","0.003","14.744","0.006","13.261","0.005","90","","90","","90","","2005.5","1.3","243","2","243","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C21 H34 Si W -","- C21 H33 Si W -","- C84 H132 Si4 W4 -","4","0.5","","David G. Churchill; Kevin E. Janak; Joshua S. Wittenberg; Gerard Parkin","Normal and Inverse Primary Kinetic Deuterium Isotope Effects for C-H Bond Reductive Elimination and Oxidative Addition Reactions of Molybdenocene and Tungstenocene Complexes: Evidence for Benzene σ-Complex Intermediates","Journal of the American Chemical Society","2003","125","","1403","1420","10.1021/ja027670k","","","0.71073","MoKα","","0.1317","0.0527","","","0.1049","0.1266","","","","","","1.01","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113427","8.599","0.004","11.415","0.006","11.722","0.006","90","","96.926","0.014","90","","1142.2","1","228","2","228","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C26 H36 Si W -","- C26 H36 Si W -","- C52 H72 Si2 W2 -","2","0.5","","David G. Churchill; Kevin E. Janak; Joshua S. Wittenberg; Gerard Parkin","Normal and Inverse Primary Kinetic Deuterium Isotope Effects for C-H Bond Reductive Elimination and Oxidative Addition Reactions of Molybdenocene and Tungstenocene Complexes: Evidence for Benzene σ-Complex Intermediates","Journal of the American Chemical Society","2003","125","","1403","1420","10.1021/ja027670k","","","0.71073","MoKα","","0.0507","0.0339","","","0.0599","0.0636","","","","","","1.05","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113428","10.2075","0.0005","13.2638","0.0006","15.3878","0.0007","102.851","0.001","106.165","0.001","95.854","0.001","1920.75","0.16","218","2","218","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H32 Si W -","- C20 H32 Si W -","- C80 H128 Si4 W4 -","4","2","","David G. Churchill; Kevin E. Janak; Joshua S. Wittenberg; Gerard Parkin","Normal and Inverse Primary Kinetic Deuterium Isotope Effects for C-H Bond Reductive Elimination and Oxidative Addition Reactions of Molybdenocene and Tungstenocene Complexes: Evidence for Benzene σ-Complex Intermediates","Journal of the American Chemical Society","2003","125","","1403","1420","10.1021/ja027670k","","","0.71073","MoKα","","0.0561","0.0337","","","0.0693","0.0762","","","","","","1.016","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113429","10.161","0.0005","14.9215","0.0008","13.4376","0.0007","90","","90","","90","","2037.37","0.18","223","2","223","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H36 Si W -","- C22 H36 Si W -","- C88 H144 Si4 W4 -","4","0.5","","David G. Churchill; Kevin E. Janak; Joshua S. Wittenberg; Gerard Parkin","Normal and Inverse Primary Kinetic Deuterium Isotope Effects for C-H Bond Reductive Elimination and Oxidative Addition Reactions of Molybdenocene and Tungstenocene Complexes: Evidence for Benzene σ-Complex Intermediates","Journal of the American Chemical Society","2003","125","","1403","1420","10.1021/ja027670k","","","0.71073","MoKα","","0.0209","0.0169","","","0.039","0.0404","","","","","","1.027","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113430","16.367","0.004","43.536","0.008","16.507","0.003","90","","101.856","0.007","90","","11511","4","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H89.33 N4 Ni O9 -","- C68 H88.6667 N4 Ni O9 -","- C408 H532 N24 Ni6 O54 -","6","3","","Raid E. Haddad; Stéphanie Gazeau; Jacques Pécaut; Jean-Claude Marchon; Craig J. Medforth; John A. Shelnutt","Origin of the Red Shifts in the Optical Absorption Bands of Nonplanar Tetraalkylporphyrins","Journal of the American Chemical Society","2003","125","","1253","1268","10.1021/ja0280933","","","0.71073","MoKα","","0.2427","0.1064","","","0.2465","0.2894","","","","","","1.158","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113431","20.795","0.0017","25.6061","0.0018","43.291","0.003","90","","90","","90","","23052","3","193","2","193","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C102.5 H135 N6 Ni1.5 O13.5 -","- C102.5 H122.5 N6 Ni1.5 O13.5 -","- C820 H980 N48 Ni12 O108 -","8","1","","Raid E. Haddad; Stéphanie Gazeau; Jacques Pécaut; Jean-Claude Marchon; Craig J. Medforth; John A. Shelnutt","Origin of the Red Shifts in the Optical Absorption Bands of Nonplanar Tetraalkylporphyrins","Journal of the American Chemical Society","2003","125","","1253","1268","10.1021/ja0280933","","","0.71073","MoKα","","0.1943","0.0946","","","0.2254","0.2545","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113432","16.8288","0.0008","19.5869","0.0009","20.0979","0.0009","90","","110.327","0.001","90","","6212.2","0.5","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60.5 H74.75 N4.25 Ni O9 -","- C60.5 H68.25 N4.25 Ni O9 -","- C242 H273 N17 Ni4 O36 -","4","2","","Raid E. Haddad; Stéphanie Gazeau; Jacques Pécaut; Jean-Claude Marchon; Craig J. Medforth; John A. Shelnutt","Origin of the Red Shifts in the Optical Absorption Bands of Nonplanar Tetraalkylporphyrins","Journal of the American Chemical Society","2003","125","","1253","1268","10.1021/ja0280933","","","0.71073","MoKα","","0.0954","0.0637","","","0.1649","0.1772","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113433","12.8373","0.0005","23.787","0.0009","39.5612","0.0014","90","","90","","90","","12080.4","0.8","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61.25 H77.5 N4 Ni O9.5 -","- C61.25 H72 N4 Ni O9.5 -","- C490 H576 N32 Ni8 O76 -","8","2","","Raid E. Haddad; Stéphanie Gazeau; Jacques Pécaut; Jean-Claude Marchon; Craig J. Medforth; John A. Shelnutt","Origin of the Red Shifts in the Optical Absorption Bands of Nonplanar Tetraalkylporphyrins","Journal of the American Chemical Society","2003","125","","1253","1268","10.1021/ja0280933","","","0.71073","MoKα","","0.1132","0.0625","","","0.1671","0.1866","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113434","11.038","0.004","11.68","0.004","18.45","0.004","90","","97.76","0.02","90","","2356.9","1.3","173","2","173","2","","","","","","","J. Miura / Prof. D. Burkey","6","P 1 21/n 1","-P 2yn","14","99179","","","- C19 H20 F6 O7 Ru S2 -","- C19 H20 F6 O7 Ru S2 -","- C76 H80 F24 O28 Ru4 S8 -","4","1","","Elsa L. Velarde; Rosary A. Stephen; Rena N. Mansour; Linh T. Hoang; David J. Burkey","Remarkably Favorable Hydration of Carbonyl Substituents in Dicationic Bis(arene) Ruthenium Complexes","Journal of the American Chemical Society","2003","125","","1188","1189","10.1021/ja028896q","","","0.71073","MoKα","","0.0726","0.0374","","0.0923","0.0831","","","","0.905","1.038","1.038","","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113435","10.45","0.01","7.565","0.007","15.61","0.02","90","","103.45","0.01","90","","1200","2","293.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 Cu O3 -","- C5 H3 Cu O3 -","- C40 H24 Cu8 O24 -","8","2","","Shigeyuki Masaoka; George Akiyama; Satoshi Horike; Susumu Kitagawa; Tomohiko Ida; Kazunaka Endo","Novel Cu(I) Dinuclear Complexes Containing μ2-η2,η2-Type Benzoquinone Ligand","Journal of the American Chemical Society","2003","125","","1152","1153","10.1021/ja029023z","","","0.7107","MoKα","","","0.0793","","","","0.0697","","","","","","1.658","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113436","10.474","0.007","6.166","0.004","13.777","0.009","90","","110.312","0.008","90","","834.4","1","293.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl Cu N O -","- C8 H7 Cl Cu N O -","- C32 H28 Cl4 Cu4 N4 O4 -","4","1","","Shigeyuki Masaoka; George Akiyama; Satoshi Horike; Susumu Kitagawa; Tomohiko Ida; Kazunaka Endo","Novel Cu(I) Dinuclear Complexes Containing μ2-η2,η2-Type Benzoquinone Ligand","Journal of the American Chemical Society","2003","125","","1152","1153","10.1021/ja029023z","","","0.7107","MoKα","","","0.029","","","","0.0395","","","","","","1.381","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113437","11.965","0.005","7.09","0.002","26.6","0.02","90","","112.783","0.005","90","","2080.5","1.9","293.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Cu2 N2 O7 -","- C23 H16 Cu2 N2 O7 -","- C92 H64 Cu8 N8 O28 -","4","1","","Shigeyuki Masaoka; George Akiyama; Satoshi Horike; Susumu Kitagawa; Tomohiko Ida; Kazunaka Endo","Novel Cu(I) Dinuclear Complexes Containing μ2-η2,η2-Type Benzoquinone Ligand","Journal of the American Chemical Society","2003","125","","1152","1153","10.1021/ja029023z","","","0.7107","MoKα","","","0.0714","","","","0.0917","","","","","","2.433","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113438","11.4008","0.0009","11.4008","0.0009","9.0745","0.001","90","","90","","90","","1179.49","0.19","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Os3 Sc14 Te8 -","- Os3 Sc13.826 Te8 -","- Os6 Sc27.652 Te16 -","2","0.125","","Ling Chen; John D. Corbett","Remarkable Metal-Rich Ternary Chalcogenides Sc14M3Te8 (M = Ru, Os)","Journal of the American Chemical Society","2003","125","","1170","1171","10.1021/ja0291540","","","0.71073","MoKα","","0.0184","0.0169","","","0.0369","0.0375","","","","","","0.992","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113439","11.3332","0.0004","11.3332","0.0004","9.0793","0.0005","90","","90","","90","","1166.16","0.09","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Ru3 Sc14 Te8 -","- Ru3 Sc13.218 Te8 -","- Ru6 Sc26.436 Te16 -","2","0.125","","Ling Chen; John D. Corbett","Remarkable Metal-Rich Ternary Chalcogenides Sc14M3Te8 (M = Ru, Os)","Journal of the American Chemical Society","2003","125","","1170","1171","10.1021/ja0291540","","","0.71073","MoKα","","0.0571","0.0275","","","0.0433","0.0489","","","","","","1.034","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113440","9.9307","0.0014","15.139","0.002","13.712","0.002","90","","107.892","0.003","90","","1961.8","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H46 B O P3 Pd -","- C42 H46 B O P3 Pd -","- C84 H92 B2 O2 P6 Pd2 -","2","1","","Jillian R. Moncarz; Tim J. Brunker; David S. Glueck; Roger D. Sommer; Arnold L. Rheingold","Stereochemistry of Palladium-Mediated Synthesis of PAMP-BH3: Retention of Configuration at P in Formation of Pd-P and P-C Bonds","Journal of the American Chemical Society","2003","125","","1180","1181","10.1021/ja029404c","","","0.71073","MoKα","","0.1501","0.0787","","","0.1141","0.1389","","","","","","1.023","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113441","9.9565","0.0007","17.8335","0.0013","11.1574","0.0007","90","","91.672","0.001","90","","1980.3","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H46 B O P3 Pd -","- C42 H46 B O P3 Pd -","- C84 H92 B2 O2 P6 Pd2 -","2","1","","Jillian R. Moncarz; Tim J. Brunker; David S. Glueck; Roger D. Sommer; Arnold L. Rheingold","Stereochemistry of Palladium-Mediated Synthesis of PAMP-BH3: Retention of Configuration at P in Formation of Pd-P and P-C Bonds","Journal of the American Chemical Society","2003","125","","1180","1181","10.1021/ja029404c","","","0.71073","MoKα","","0.0764","0.0528","","","0.1109","0.126","","","","","","0.925","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113442","14.23","0.005","17.95","0.006","25.171","0.008","80.091","0.005","75.019","0.006","82.382","0.006","6092","4","158","2","158","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H73 B N8 O4 Zn -","- C62 H73 B N8 O4 Zn -","- C248 H292 B4 N32 O16 Zn4 -","4","2","","David A. Shultz; Kira E. Vostrikova; Scot H. Bodnar; Hyun-Joo Koo; Myung-Hwan Whangbo; Martin L. Kirk; Ezra C. Depperman; Jeff W. Kampf","Trends in Metal-Biradical Exchange Interaction for First-Row MII(Nitronyl Nitroxide-Semiquinone) Complexes","Journal of the American Chemical Society","2003","125","","1607","1617","10.1021/ja020715x","","","0.71073","MoKα","","0.1545","0.0845","","","0.2199","0.2512","","","","","","1.118","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113443","6.8165","0.0006","10.0414","0.0009","12.702","0.0013","86.415","0.009","78.737","0.009","76.502","0.007","828.99","0.14","148","","148","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H25 N2 O4 -","- C17 H25 N2 O4 -","- C34 H50 N4 O8 -","2","1","","David A. Shultz; Kira E. Vostrikova; Scot H. Bodnar; Hyun-Joo Koo; Myung-Hwan Whangbo; Martin L. Kirk; Ezra C. Depperman; Jeff W. Kampf","Trends in Metal-Biradical Exchange Interaction for First-Row MII(Nitronyl Nitroxide-Semiquinone) Complexes","Journal of the American Chemical Society","2003","125","","1607","1617","10.1021/ja020715x","","","0.71073","MolybdenumKα","","0.037","0.037","","0.044","0.044","","","","","1.94","1.94","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113444","12.582","0.003","17.693","0.004","24.37","0.005","90","","98.401","0.004","90","","5367","2","158","2","158","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H69 B Co N8 O4 -","- C56 H69 B Co N8 O4 -","- C224 H276 B4 Co4 N32 O16 -","4","1","","David A. Shultz; Kira E. Vostrikova; Scot H. Bodnar; Hyun-Joo Koo; Myung-Hwan Whangbo; Martin L. Kirk; Ezra C. Depperman; Jeff W. Kampf","Trends in Metal-Biradical Exchange Interaction for First-Row MII(Nitronyl Nitroxide-Semiquinone) Complexes","Journal of the American Chemical Society","2003","125","","1607","1617","10.1021/ja020715x","","","0.71073","MoKα","","0.1086","0.0821","","","0.219","0.2306","","","","","","1.129","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113445","12.2081","0.0008","13.2504","0.0009","17.3758","0.0011","96.958","0.003","105.603","0.003","99.577","0.002","2628.4","0.3","158","2","158","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H71 B Cu N8 O5 -","- C57 H71 B Cu N8 O5 -","- C114 H142 B2 Cu2 N16 O10 -","2","1","","David A. Shultz; Kira E. Vostrikova; Scot H. Bodnar; Hyun-Joo Koo; Myung-Hwan Whangbo; Martin L. Kirk; Ezra C. Depperman; Jeff W. Kampf","Trends in Metal-Biradical Exchange Interaction for First-Row MII(Nitronyl Nitroxide-Semiquinone) Complexes","Journal of the American Chemical Society","2003","125","","1607","1617","10.1021/ja020715x","","","0.71073","MoKα","","0.0993","0.0676","","","0.1956","0.21","","","","","","1.04","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113446","12.828","0.005","17.777","0.007","24.075","0.009","90","","104.274","0.006","90","","5321","4","158","2","158","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H69 B Mn N8 O4 -","- C224 H276 B4 Mn4 N32 O16 -","- C224 H276 B4 Mn4 N32 O16 -","1","0.25","","David A. Shultz; Kira E. Vostrikova; Scot H. Bodnar; Hyun-Joo Koo; Myung-Hwan Whangbo; Martin L. Kirk; Ezra C. Depperman; Jeff W. Kampf","Trends in Metal-Biradical Exchange Interaction for First-Row MII(Nitronyl Nitroxide-Semiquinone) Complexes","Journal of the American Chemical Society","2003","125","","1607","1617","10.1021/ja020715x","","","0.71073","MoKα","","0.1258","0.1033","","","0.2558","0.2668","","","","","","1.193","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113447","12.1536","0.0009","13.2557","0.001","17.3931","0.0012","96.801","0.001","107.518","0.001","98.335","0.001","2604.6","0.3","108","2","108","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H69 B N8 Ni O4 -","- C56 H69 B N8 Ni O4 -","- C112 H138 B2 N16 Ni2 O8 -","2","1","","David A. Shultz; Kira E. Vostrikova; Scot H. Bodnar; Hyun-Joo Koo; Myung-Hwan Whangbo; Martin L. Kirk; Ezra C. Depperman; Jeff W. Kampf","Trends in Metal-Biradical Exchange Interaction for First-Row MII(Nitronyl Nitroxide-Semiquinone) Complexes","Journal of the American Chemical Society","2003","125","","1607","1617","10.1021/ja020715x","","","0.71073","MoKα","","0.0459","0.0322","","","0.0787","0.0818","","","","","","1.03","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113448","8.8771","0.0004","14.4198","0.0008","15.5546","0.0007","109.2","0.002","97.008","0.003","102.408","0.002","1795.89","0.16","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C31.5 H12 Cl15 Fe -","- C31.5 H11 Cl15 Fe -","- C63 H22 Cl30 Fe2 -","2","1","","Imma Ratera; Daniel Ruiz-Molina; Franz Renz; Jürgen Ensling; Klaus Wurst; Concepció Rovira; Philipp Gütlich; Jaume Veciana","A New Valence Tautomerism Example in an Electroactive Ferrocene Substituted Triphenylmethyl Radical","Journal of the American Chemical Society","2003","125","","1462","1463","10.1021/ja0282590","","","0.71073","MoKα","","0.0601","0.0425","","","0.1059","0.1137","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113449","20.717","0.004","12.898","0.002","19.394","0.003","90","","116.966","0.004","90","","4618.8","1.4","148","2","148","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H38 Ni O P2 -","- C22 H38 Ni O P2 -","- C176 H304 Ni8 O8 P16 -","8","2","","Juan Cámpora; Celia M. Maya; Pilar Palma; Ernesto Carmona; Enrique Gutiérrez-Puebla; Caridad Ruiz","Synthesis and Aldol Reactivity of O- and C-Enolate Complexes of Nickel","Journal of the American Chemical Society","2003","125","","1482","1483","10.1021/ja028711f","","","0.71073","MoKα","","0.2071","0.0898","","0.1853","0.1428","","","","0.968","1.164","1.164","","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113450","12.685","0.002","22.058","0.003","10.448","0.002","90","","90","","90","","2923.4","0.8","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H43 Al N2 S2 -","- C29 H43 Al N2 S2 -","- C116 H172 Al4 N8 S8 -","4","0.5","","Vojtech Jancik; Ying Peng; Herbert W. Roesky; Jiyang Li; Dante Neculai; Ana M. Neculai; Regine Herbst-Irmer","The First Structurally Characterized Aluminum Compound with Two SH Groups: [LAl(SH)2] (L = N(Ar)C(Me)CHC(Me)N(Ar), Ar = 2,6-i-Pr2C6H3) and the Catalytic Properties of the Sulfur P(NMe2)3 System","Journal of the American Chemical Society","2003","125","","1452","1453","10.1021/ja028801k","","","1.54178","CuKα","","0.032","0.0292","","","0.0786","0.0805","","","","","","1.045","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113451","7.9871","0.0005","21.0604","0.0014","21.0566","0.0014","90","","95.072","0.001","90","","3528.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 B Ir N6 O9 -","- C33 H38 B Ir N6 O9 -","- C132 H152 B4 Ir4 N24 O36 -","4","1","","Eleuterio Álvarez; Margarita Gómez; Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Laura L. Santos; Susana Rojas-Lima; Verónica Salazar; Kurt Mereiter; Caridad Ruiz","Coupling of Internal Alkynes in TpMe2Ir Derivatives: Selective Oxidation of a Noncoordinated Double Bond of the Resulting Iridacycloheptatrienes","Journal of the American Chemical Society","2003","125","","1478","1479","10.1021/ja0290375","","","0.71073","MoKα","","0.0523","0.0351","","","0.0623","0.0658","","","","","","0.919","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113452","10.697","0.0012","23.316","0.003","16.9755","0.0019","90","","91.199","0.002","90","","4233","0.9","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","738mp N-81 IrTpm(H2O)(Acdim)3.H2O.CH2Cl2 in P2(1)/n","","","- C34 H46 B Cl2 Ir N6 O14 -","- C34 H46 B Cl2 Ir N6 O14 -","- C136 H184 B4 Cl8 Ir4 N24 O56 -","4","1","","Eleuterio Álvarez; Margarita Gómez; Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Laura L. Santos; Susana Rojas-Lima; Verónica Salazar; Kurt Mereiter; Caridad Ruiz","Coupling of Internal Alkynes in TpMe2Ir Derivatives: Selective Oxidation of a Noncoordinated Double Bond of the Resulting Iridacycloheptatrienes","Journal of the American Chemical Society","2003","125","","1478","1479","10.1021/ja0290375","","","0.71073","MoKα","","0.0312","0.0236","","","0.0501","0.0523","","","","","","1.059","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113453","10.0964","0.0015","10.9412","0.0016","15.692","0.002","81.541","0.003","85.535","0.003","64.231","0.003","1543.9","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H38 B Ir N6 O8 -","- C29 H38 B Ir N6 O8 -","- C58 H76 B2 Ir2 N12 O16 -","2","1","","Eleuterio Álvarez; Margarita Gómez; Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Laura L. Santos; Susana Rojas-Lima; Verónica Salazar; Kurt Mereiter; Caridad Ruiz","Coupling of Internal Alkynes in TpMe2Ir Derivatives: Selective Oxidation of a Noncoordinated Double Bond of the Resulting Iridacycloheptatrienes","Journal of the American Chemical Society","2003","125","","1478","1479","10.1021/ja0290375","","","0.71073","MoKα","","0.0228","0.0208","","","0.052","0.0528","","","","","","1.06","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113454","10.8078","0.001","11.2313","0.0011","16.667","0.002","86.748","0.002","85.128","0.002","76.649","0.002","1959.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H50 B Ir N6 O10 -","- C37 H50 B Ir N6 O10 -","- C74 H100 B2 Ir2 N12 O20 -","2","1","","Eleuterio Álvarez; Margarita Gómez; Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Laura L. Santos; Susana Rojas-Lima; Verónica Salazar; Kurt Mereiter; Caridad Ruiz","Coupling of Internal Alkynes in TpMe2Ir Derivatives: Selective Oxidation of a Noncoordinated Double Bond of the Resulting Iridacycloheptatrienes","Journal of the American Chemical Society","2003","125","","1478","1479","10.1021/ja0290375","","","0.71073","MoKα","","0.1241","0.0572","","0.1301","0.1037","","","","0.831","0.976","0.976","","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113455","11.6037","0.0009","12.1858","0.0009","12.959","0.001","74.638","0.002","86.425","0.002","81.588","0.002","1747.4","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H38 B Ir N6 O9 -","- C33 H38 B Ir N6 O9 -","- C66 H76 B2 Ir2 N12 O18 -","2","1","","Eleuterio Álvarez; Margarita Gómez; Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Laura L. Santos; Susana Rojas-Lima; Verónica Salazar; Kurt Mereiter; Caridad Ruiz","Coupling of Internal Alkynes in TpMe2Ir Derivatives: Selective Oxidation of a Noncoordinated Double Bond of the Resulting Iridacycloheptatrienes","Journal of the American Chemical Society","2003","125","","1478","1479","10.1021/ja0290375","","","0.71073","MoKα","","0.032","0.0266","","","0.0665","0.0687","","","","","","1.062","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113456","9.619","0.008","36.11","0.02","10.078","0.018","90","","112.07","0.1","90","","3244","7","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H35 I N O P Pd -","- C36 H35 I N O P Pd -","- C144 H140 I4 N4 O4 P4 Pd4 -","4","1","","Daniel Solé; Lluís Vallverdú; Xavier Solans; Mercè Font-Bardía; Josep Bonjoch","Intramolecular Pd-Mediated Processes of Amino-Tethered Aryl Halides and Ketones: Insight into the Ketone α-Arylation and Carbonyl-Addition Dichotomy. A New Class of Four-Membered Azapalladacycles","Journal of the American Chemical Society","2003","125","","1587","1594","10.1021/ja029114w","","","0.71069","MoKα","","0.2056","0.0394","","","0.0423","0.0629","","","","","","0.758","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113457","9.719","0.001","20.633","0.001","17.793","0.001","90","","90.54","","90","","3567.9","0.5","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 Cl2 I N O P Pd -","- C38 H35 Cl2 I N O P Pd -","- C152 H140 Cl8 I4 N4 O4 P4 Pd4 -","4","1","","Daniel Solé; Lluís Vallverdú; Xavier Solans; Mercè Font-Bardía; Josep Bonjoch","Intramolecular Pd-Mediated Processes of Amino-Tethered Aryl Halides and Ketones: Insight into the Ketone α-Arylation and Carbonyl-Addition Dichotomy. A New Class of Four-Membered Azapalladacycles","Journal of the American Chemical Society","2003","125","","1587","1594","10.1021/ja029114w","","","0.71069","MoKα","","0.0766","0.0319","","","0.088","0.1156","","","","","","0.906","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113458","16.4399","0.0008","18.299","0.0009","18.6637","0.0009","61.183","0.001","64.621","0.001","75.41","0.001","4437.3","0.4","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C73.5 H59.25 Al2 Cl0.25 F48 Ga Li O8 -","- C73.5 H59.25 Al2 Cl0.25 F48 Ga Li O8 -","- C147 H118.5 Al4 Cl0.5 F96 Ga2 Li2 O16 -","2","1","","Rudolf J. Wehmschulte; Jared M. Steele; Jackie D. Young; Masood A. Khan","[2,6-Mes2C6H3]2Ga+Li[Al{OCH(CF3)2}4]2- (Mes = 2,4,6-Me3C6H2): A Compound Containing a Linear Unsolvated Two-Coordinate Gallium Cation","Journal of the American Chemical Society","2003","125","","1470","1471","10.1021/ja029142e","","","0.71073","MoKα","","0.0565","0.047","","","0.1456","0.1518","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113459","8.5981","0.0004","9.3991","0.0005","27.067","0.0009","90","","97.482","0.004","90","","2168.78","0.17","16","","16","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H35 N Zr -","- C24 H35 N Zr -","- C96 H140 N4 Zr4 -","4","1","","Sebastien Pillet; Guang Wu; Vichien Kulsomphob; Benjamin G. Harvey; Richard D. Ernst; Philip Coppens","Investigation of Zr-C, Zr-N, and Potential Agostic Interactions in an Organozirconium Complex by Experimental Electron Density Analysis","Journal of the American Chemical Society","2003","125","","1937","1949","10.1021/ja021133i","","","0.6361","synchrotron","","0.0271","0.0271","","","0.0158","0.0158","","","","","","0.76","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113460","7.3895","0.0004","8.0891","0.0004","20.9195","0.0009","90","0.002","90","0.002","90","0.001","1250.45","0.11","90","1","90","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H19 Br2 N3 O Zn -","- C8 H19 Br2 N3 O Zn -","- C32 H76 Br8 N12 O4 Zn4 -","4","1","","Olga Iranzo; Andrey Y. Kovalevsky; Janet R. Morrow; John P. Richard","Physical and Kinetic Analysis of the Cooperative Role of Metal Ions in Catalysis of Phosphodiester Cleavage by a Dinuclear Zn(II) Complex","Journal of the American Chemical Society","2003","125","","1988","1993","10.1021/ja027728v","","","0.71073","MoKα","","0.0394","0.0334","","","0.0652","0.0663","","","","","","0.943","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113461","11.7153","0.0002","10.3734","0.0002","21.5665","0.0003","90","","96.472","0.001","90","","2604.22","0.08","90","1","90","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H37 Cl3 N6 O11 Zn2 -","- C15 H37 Cl3 N6 O11 Zn2 -","- C60 H148 Cl12 N24 O44 Zn8 -","4","1","","Olga Iranzo; Andrey Y. Kovalevsky; Janet R. Morrow; John P. Richard","Physical and Kinetic Analysis of the Cooperative Role of Metal Ions in Catalysis of Phosphodiester Cleavage by a Dinuclear Zn(II) Complex","Journal of the American Chemical Society","2003","125","","1988","1993","10.1021/ja027728v","","","0.71073","MoKα","","0.0729","0.0569","","","0.1322","0.1396","","","","","","1.069","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113462","11.057","0.0019","13.594","0.002","17.698","0.003","86.55","0.003","88.912","0.003","82.784","0.003","2634.1","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Cl N4 O6.5 Zn -","- C26 H27 Cl N4 O6.5 Zn -","- C104 H108 Cl4 N16 O26 Zn4 -","4","2","","Shawn C. Burdette; Christopher J. Frederickson; Weiming Bu; Stephen J. Lippard","ZP4, an Improved Neuronal Zn2+ Sensor of the Zinpyr Family","Journal of the American Chemical Society","2003","125","","1778","1787","10.1021/ja0287377","","","0.71073","MoKα","","0.0438","0.0366","","","0.0997","0.105","","","","","","0.98","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113463","10.09","0.002","11.7","0.004","13.043","0.004","64.363","0.013","89.406","0.019","84.44","0.03","1380.8","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H32 Cl Mn N4 O7.5 -","- C27 H25 Cl Mn N4 O7.5 -","- C54 H50 Cl2 Mn2 N8 O15 -","2","1","","Shawn C. Burdette; Christopher J. Frederickson; Weiming Bu; Stephen J. Lippard","ZP4, an Improved Neuronal Zn2+ Sensor of the Zinpyr Family","Journal of the American Chemical Society","2003","125","","1778","1787","10.1021/ja0287377","","","0.71073","MoKα","","0.0708","0.0499","","","0.1343","0.1455","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113464","9.097","0.005","11.636","0.006","13.037","0.01","73.86","0.03","73.97","0.06","72.24","0.03","1234.5","1.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 Cl Cu N4 O6 -","- C26 H25 Cl Cu N4 O6 -","- C52 H50 Cl2 Cu2 N8 O12 -","2","1","","Shawn C. Burdette; Christopher J. Frederickson; Weiming Bu; Stephen J. Lippard","ZP4, an Improved Neuronal Zn2+ Sensor of the Zinpyr Family","Journal of the American Chemical Society","2003","125","","1778","1787","10.1021/ja0287377","","","0.71073","MoKα","","0.0637","0.05","","","0.1287","0.1377","","","","","","1.045","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113465","32.151","0.0002","17.229","0.0003","10.212","0.0001","90","","90","","90","","5656.73","0.12","296","2","296","2","","","","","","","","8","C m c 21","C 2c -2","36","MIL-50","","","- C12 H37 F7 Ga9 N4 O40.5 P9 Rb2 -","- C12 H36 F7 Ga9 N4 O39.75 P9 Rb2 -","- C48 H144 F28 Ga36 N16 O159 P36 Rb8 -","4","0.5","","Lionel Beitone; Jérôme Marrot; Thierry Loiseau; Gérard Férey; Marc Henry; Clarisse Huguenard; Axel Gansmuller; Francis Taulelle","MIL-50, an Open-Framework GaPO with a Periodic Pattern of Small Water Ponds and Dry Rubidium Atoms: a Combined XRD, NMR, and Computational Study","Journal of the American Chemical Society","2003","125","","1912","1922","10.1021/ja029072b","","","0.71073","MoKα","","0.0701","0.0509","","","0.1212","0.1423","","","","","","1.161","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113466","24.9918","0.0019","6.3325","0.0005","32.709","0.002","90","","95.868","0.004","90","","5149.4","0.6","91","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tBuJeff*N3","","","- C60 H74 N6 -","- C60 H74 N6 -","- C240 H296 N24 -","4","1","","Robert J. Wright; Andrew D. Phillips; Thomas L. Allen; William H. Fink; Philip P. Power","Synthesis and Characterization of the Monomeric Imides Ar'MNAr'' (M = Ga or In; Ar' or Ar'' = Terphenyl Ligands) with Two-Coordinate Gallium and Indium","Journal of the American Chemical Society","2003","125","","1694","1695","10.1021/ja029422u","","","0.71073","MoKα","","0.0932","0.0728","","","0.2041","0.2196","","","","","","1.034","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113467","11.7036","0.0006","24.8171","0.0012","18.4566","0.0009","90","","91.438","0.001","90","","5359","0.5","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Dipp*GaNtBuJeff*","","","- C63 H81 Ga N -","- C63 H81 Ga N -","- C252 H324 Ga4 N4 -","4","1","","Robert J. Wright; Andrew D. Phillips; Thomas L. Allen; William H. Fink; Philip P. Power","Synthesis and Characterization of the Monomeric Imides Ar'MNAr'' (M = Ga or In; Ar' or Ar'' = Terphenyl Ligands) with Two-Coordinate Gallium and Indium","Journal of the American Chemical Society","2003","125","","1694","1695","10.1021/ja029422u","","","0.71073","MoKα","","0.0755","0.0517","","","0.1172","0.1293","","","","","","1.017","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113468","11.7845","0.0016","24.639","0.003","18.441","0.002","90","","90.402","0.004","90","","5354.4","1.1","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Dipp*InNtBuJeff*","","","- C63.5 H78 In N -","- C63.5 H78 In N -","- C254 H312 In4 N4 -","4","1","","Robert J. Wright; Andrew D. Phillips; Thomas L. Allen; William H. Fink; Philip P. Power","Synthesis and Characterization of the Monomeric Imides Ar'MNAr'' (M = Ga or In; Ar' or Ar'' = Terphenyl Ligands) with Two-Coordinate Gallium and Indium","Journal of the American Chemical Society","2003","125","","1694","1695","10.1021/ja029422u","","","0.71073","MoKα","","0.0726","0.0422","","","0.0875","0.1007","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113469","12.5962","0.0005","12.9219","0.0005","15.0517","0.0006","90","","109.212","0.001","90","","2313.48","0.16","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 B N8 O Re -","- C24 H24 B N8 O Re -","- C96 H96 B4 N32 O4 Re4 -","4","1","","Scott H. Meiere; Joseph M. Keane; T. Brent Gunnoe; Michal Sabat; W. Dean Harman","Binding and Activation of Aromatic Molecules by a Molybdenum π-Base","Journal of the American Chemical Society","2003","125","","2024","2025","10.1021/ja021057j","","","0.71073","MoKα","","0.0393","0.0277","","","0.0543","0.0571","","","","","","0.904","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113470","12.5704","0.0006","12.9054","0.0006","15.1635","0.0007","90","","109.529","0.001","90","","2318.4","0.19","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 B Mo N9 O -","- C23 H24 B Mo N9 O -","- C92 H96 B4 Mo4 N36 O4 -","4","1","","Scott H. Meiere; Joseph M. Keane; T. Brent Gunnoe; Michal Sabat; W. Dean Harman","Binding and Activation of Aromatic Molecules by a Molybdenum π-Base","Journal of the American Chemical Society","2003","125","","2024","2025","10.1021/ja021057j","","","0.71073","MoKα","","0.0936","0.0558","","","0.1076","0.12","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113471","17.1043","0.0005","19.7079","0.0006","22.3659","0.0008","90","","90","","90","","7539.3","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 B F20 N Pb -","- C36 H22 B F20 N Pb -","- C288 H176 B8 F160 N8 Pb8 -","8","1","","Thomas Müller; Christian Bauch; Markus Ostermeier; Michael Bolte; Norbert Auner","Norbornyl Cations of Group 14 Elements","Journal of the American Chemical Society","2003","125","","2158","2168","10.1021/ja021234g","","","0.71073","MoKα","","0.0592","0.0353","","","0.078","0.0844","","","","","","1.021","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113472","13.5318","0.0008","19.2882","0.0011","15.2523","0.0008","90","","111.847","0.001","90","","3695","0.4","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","5d(SnCl4","","","- C24 H50 Cl6 N6 O2 P2 Sn -","- C24 H50 Cl6 N6 O2 P2 Sn -","- C96 H200 Cl24 N24 O8 P8 Sn4 -","4","2","","Scott E. Denmark; Jiping Fu","Understanding the Correlation of Structure and Selectivity in the Chiral-Phosphoramide-Catalyzed Enantioselective Allylation Reactions: Solution and Solid-State Structural Studies of Bisphosphoramide.SnCl4 Complexes","Journal of the American Chemical Society","2003","125","","2208","2216","10.1021/ja021280g","","","0.71073","MoKα","","0.0363","0.0304","","","0.0758","0.0785","","","","","","1.019","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113473","14.898","0.003","18.01","0.003","12.42","0.002","90","","90","","90","","3332.4","1","193","2","193","2","","","","","","","","7","C 2 2 21","C 2c 2","20","7d(SnCl4","","","- C23 H46 Cl4 N6 O3 P2 Sn -","- C23 H44 Cl4 N6 O3 P2 Sn -","- C92 H176 Cl16 N24 O12 P8 Sn4 -","4","0.5","","Scott E. Denmark; Jiping Fu","Understanding the Correlation of Structure and Selectivity in the Chiral-Phosphoramide-Catalyzed Enantioselective Allylation Reactions: Solution and Solid-State Structural Studies of Bisphosphoramide.SnCl4 Complexes","Journal of the American Chemical Society","2003","125","","2208","2216","10.1021/ja021280g","","","0.71073","MoKα","","0.0766","0.0398","","","0.0612","0.0679","","","","","","0.92","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113474","10.332","0.002","10.332","0.002","39.809","0.016","90","","90","","120","","3680.3","1.8","193","2","193","2","","","","","","","","7","P 31","P 31","144","7c(SnCl4","","","- C26 H46 Cl16 N6 O2 P2 Sn -","- C26 H46 Cl16 N6 O2 P2 Sn -","- C78 H138 Cl48 N18 O6 P6 Sn3 -","3","1","","Scott E. Denmark; Jiping Fu","Understanding the Correlation of Structure and Selectivity in the Chiral-Phosphoramide-Catalyzed Enantioselective Allylation Reactions: Solution and Solid-State Structural Studies of Bisphosphoramide.SnCl4 Complexes","Journal of the American Chemical Society","2003","125","","2208","2216","10.1021/ja021280g","","","0.71073","MoKα","","0.1006","0.0948","","","0.2553","0.2593","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113475","12.644","0.002","17.879","0.002","9.382","0.001","90","","90","","90","","2120.9","0.5","294","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 F6 N O3 -","- C21 H19 F6 N O3 -","- C84 H76 F24 N4 O12 -","4","1","","Karel M. J. Brands; Joseph F. Payack; Jonathan D. Rosen; Todd D. Nelson; Alexander Candelario; Mark A. Huffman; Matthew M. Zhao; Jing Li; Bridgette Craig; Zhiguo J. Song; David M. Tschaen; Karl Hansen; Paul N. Devine; Philip J. Pye; Kai Rossen; Peter G. Dormer; Robert A. Reamer; Christopher J. Welch; David J. Mathre; Nancy N. Tsou; James M. McNamara; Paul J. Reider","Efficient Synthesis of NK1 Receptor Antagonist Aprepitant Using a Crystallization-Induced Diastereoselective Transformation","Journal of the American Chemical Society","2003","125","","2129","2135","10.1021/ja027458g","","","1.54184","CuKα","","","0.128","","","0.315","","","","","1.078","1.078","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113476","9.098","0.004","9.876","0.004","14.495","0.006","102.806","0.006","98.216","0.006","103.386","0.006","1209.3","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 F7 N O2 -","- C27 H22 F7 N O2 -","- C54 H44 F14 N2 O4 -","2","1","","Karel M. J. Brands; Joseph F. Payack; Jonathan D. Rosen; Todd D. Nelson; Alexander Candelario; Mark A. Huffman; Matthew M. Zhao; Jing Li; Bridgette Craig; Zhiguo J. Song; David M. Tschaen; Karl Hansen; Paul N. Devine; Philip J. Pye; Kai Rossen; Peter G. Dormer; Robert A. Reamer; Christopher J. Welch; David J. Mathre; Nancy N. Tsou; James M. McNamara; Paul J. Reider","Efficient Synthesis of NK1 Receptor Antagonist Aprepitant Using a Crystallization-Induced Diastereoselective Transformation","Journal of the American Chemical Society","2003","125","","2129","2135","10.1021/ja027458g","","","0.71073","MoKα","","0.061","0.046","","","0.1188","0.127","","","","","","0.978","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113477","11.547","0.001","7.422","0.001","14.5184","0.0008","90","","100.326","0.007","90","","1224.1","0.2","294","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H22 F7 N O2 -","- C27 H22 F7 N O2 -","- C54 H44 F14 N2 O4 -","2","1","","Karel M. J. Brands; Joseph F. Payack; Jonathan D. Rosen; Todd D. Nelson; Alexander Candelario; Mark A. Huffman; Matthew M. Zhao; Jing Li; Bridgette Craig; Zhiguo J. Song; David M. Tschaen; Karl Hansen; Paul N. Devine; Philip J. Pye; Kai Rossen; Peter G. Dormer; Robert A. Reamer; Christopher J. Welch; David J. Mathre; Nancy N. Tsou; James M. McNamara; Paul J. Reider","Efficient Synthesis of NK1 Receptor Antagonist Aprepitant Using a Crystallization-Induced Diastereoselective Transformation","Journal of the American Chemical Society","2003","125","","2129","2135","10.1021/ja027458g","","","1.54184","CuKα","","","0.076","","","0.222","0.257","","","","1.057","1.057","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113478","9.046","0.001","10.855","0.001","16.774","0.002","88.952","0.002","88.918","0.002","87.495","0.002","1645","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","01382","","","- C57 H54 Cl2 F12 Fe2 N8 O12 S4 -","- C57 H54 Cl2 F12 Fe2 N8 O12 S4 -","- C57 H54 Cl2 F12 Fe2 N8 O12 S4 -","1","0.5","","Michael P. Jensen; Steven J. Lange; Mark P. Mehn; Emily L. Que; Lawrence Que","Biomimetic Aryl Hydroxylation Derived from Alkyl Hydroperoxide at a Nonheme Iron Center. Evidence for an FeIVO Oxidant","Journal of the American Chemical Society","2003","125","","2113","2128","10.1021/ja028478l","","","0.71073","MoKα","","0.0798","0.0487","","","0.0916","0.1002","","","","","","1.016","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4113479","12.013","0.002","9.933","0.002","25.193","0.005","90","","93.057","0.004","90","","3001.9","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","01144","","","- C27 H24 F6 Fe N4 O7 S2 -","- C27 H24 F6 Fe N4 O7 S2 -","- C108 H96 F24 Fe4 N16 O28 S8 -","4","1","","Michael P. Jensen; Steven J. Lange; Mark P. Mehn; Emily L. Que; Lawrence Que","Biomimetic Aryl Hydroxylation Derived from Alkyl Hydroperoxide at a Nonheme Iron Center. Evidence for an FeIVO Oxidant","Journal of the American Chemical Society","2003","125","","2113","2128","10.1021/ja028478l","","","0.71073","MoKα","","0.0442","0.036","","","0.0952","0.103","","","","","","1.038","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113480","14.7106","0.0008","10.4709","0.0004","11.954","0.0006","90","","90","","90","","1841.31","0.15","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C12 Au Cl10 Tl -","- C12 Au Cl10 Tl -","- C48 Au4 Cl40 Tl4 -","4","0.5","","Eduardo J. Fernández; José M. López-de-Luzuriaga; Miguel Monge; M. Elena Olmos; Javier Pérez; Antonio Laguna; Ahmed A. Mohamed; John P. Fackler","{Tl[Au(C6Cl5)2]}n: A Vapochromic Complex","Journal of the American Chemical Society","2003","125","","2022","2023","10.1021/ja028734u","","","0.7107","MoKα","","0.0494","0.0282","","","0.057","0.0623","","","","","","1.055","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113481","16.047","0.001","19.51","0.002","4.8643","0.0003","90.07","0.005","90.132","0.003","90.096","0.004","1522.9","0.2","296.2","","","","","","","","","","","3","P 1","P 1","1","","","","- C17 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","4","","Naoya Kumagai; Shigeki Matsunaga; Tomofumi Kinoshita; Shinji Harada; Shigemitsu Okada; Shigeru Sakamoto; Kentaro Yamaguchi; Masakatsu Shibasaki","Direct Catalytic Asymmetric Aldol Reaction of Hydroxyketones: Asymmetric Zn Catalysis with a Et2Zn/Linked-BINOL Complex","Journal of the American Chemical Society","2003","125","","2169","2178","10.1021/ja028926p","","","0.7107","MoKα","","","0.0822","","","","0.2184","","","","","","1.73","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113482","15.467","0.003","11.661","0.002","17.591","0.003","90","","115.373","0.003","90","","2866.7","0.9","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 B Cl2 F4 O2 Ru S -","- C27 H29 B Cl2 F4 O2 Ru S -","- C108 H116 B4 Cl8 F16 O8 Ru4 S4 -","4","1","","Paul A. Vecchi; Arkady Ellern; Robert J. Angelici","Synthetic, Structural and Binding Studies of the 4,6-Dimethyldibenzothiophene Complex [(η5-C5Me5)Ru(CO)2(η1(S)-4,6-Me2DBT)]BF4: Toward an Understanding of Deep Hydrodesulfurization","Journal of the American Chemical Society","2003","125","","2064","2065","10.1021/ja029230z","","","0.71073","MoKα","","0.0451","0.0318","","","0.0859","0.0915","","","","","","1.071","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113483","28.147","0.005","10.726","0.002","16.723","0.003","90","","106.583","0.004","90","","4838.8","1.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 B F4 O2 Ru S -","- C25 H25 B F4 O2 Ru S -","- C200 H200 B8 F32 O16 Ru8 S8 -","8","2","","Paul A. Vecchi; Arkady Ellern; Robert J. Angelici","Synthetic, Structural and Binding Studies of the 4,6-Dimethyldibenzothiophene Complex [(η5-C5Me5)Ru(CO)2(η1(S)-4,6-Me2DBT)]BF4: Toward an Understanding of Deep Hydrodesulfurization","Journal of the American Chemical Society","2003","125","","2064","2065","10.1021/ja029230z","","","0.71073","MoKα","","0.0585","0.0348","","","0.0794","0.0858","","","","","","0.984","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113484","10.8541","0.0014","11.6452","0.0015","19.156","0.003","90","","105.468","0.002","90","","2333.6","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 B F4 O2 Ru S -","- C24 H23 B F4 O2 Ru S -","- C96 H92 B4 F16 O8 Ru4 S4 -","4","1","","Paul A. Vecchi; Arkady Ellern; Robert J. Angelici","Synthetic, Structural and Binding Studies of the 4,6-Dimethyldibenzothiophene Complex [(η5-C5Me5)Ru(CO)2(η1(S)-4,6-Me2DBT)]BF4: Toward an Understanding of Deep Hydrodesulfurization","Journal of the American Chemical Society","2003","125","","2064","2065","10.1021/ja029230z","","","0.71073","MoKα","","0.0358","0.0261","","","0.0664","0.0698","","","","","","1.011","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113485","27.154","0.007","12.48","0.05","41.59","0.01","90","","95.94","0.02","90","","14018","6","293.2","","293.2","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H85 N8 O12.5 -","- C70 H83 N8 O12.5 -","- C560 H664 N64 O100 -","8","1","","Charles-André Fustin; Christian Bailly; Guy J. Clarkson; Philippe De Groote; Trent H. Galow; David A. Leigh; Duncan Robertson; Alexandra M. Z. Slawin; Jenny K. Y. Wong","Mechanically Linked Polycarbonate","Journal of the American Chemical Society","2003","125","","2200","2207","10.1021/ja0292546","","","1.5418","CuKα","","","0.0936","","","","0.0887","","","","","","2.62","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113486","12.7081","0.0001","16.9611","0.0002","17.2671","0.0002","84.876","0.001","68.53","0.001","87.936","0.001","3449.69","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C70.5 H90 N8 O14.5 -","- C70.5 H90 N8 O14.5 -","- C141 H180 N16 O29 -","2","1","","Charles-André Fustin; Christian Bailly; Guy J. Clarkson; Philippe De Groote; Trent H. Galow; David A. Leigh; Duncan Robertson; Alexandra M. Z. Slawin; Jenny K. Y. Wong","Mechanically Linked Polycarbonate","Journal of the American Chemical Society","2003","125","","2200","2207","10.1021/ja0292546","","","0.6874","MoKα","","0.2733","0.1055","","0.3197","0.2373","","","","0.956","1.299","1.299","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113487","11.37","0.01","12.39","0.01","23.492","0.007","90","","93.7","0.05","90","","3303","4","293.2","","293.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H42 N4 O6 -","- C35 H41 N4 O6 -","- C140 H164 N16 O24 -","4","1","","Charles-André Fustin; Christian Bailly; Guy J. Clarkson; Philippe De Groote; Trent H. Galow; David A. Leigh; Duncan Robertson; Alexandra M. Z. Slawin; Jenny K. Y. Wong","Mechanically Linked Polycarbonate","Journal of the American Chemical Society","2003","125","","2200","2207","10.1021/ja0292546","","","1.5418","CuKα","","","0.1068","","","","0.0624","","","","","","2.988","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113488","16.3629","0.0006","25.1227","0.0009","16.8767","0.0006","90","","91.036","0.002","90","","6936.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C73 H97 N8 O13.5 -","- C73 H88 N8 O13.5 -","- C292 H352 N32 O54 -","4","1","","Charles-André Fustin; Christian Bailly; Guy J. Clarkson; Philippe De Groote; Trent H. Galow; David A. Leigh; Duncan Robertson; Alexandra M. Z. Slawin; Jenny K. Y. Wong","Mechanically Linked Polycarbonate","Journal of the American Chemical Society","2003","125","","2200","2207","10.1021/ja0292546","","","0.6893","synchrotron","","0.1205","0.093","","","0.2553","0.2695","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113489","16.0178","0.0003","23.195","0.0006","23.2949","0.0005","71.331","0.001","83.937","0.001","79.565","0.001","8053.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H100 N8 O11 -","- C78 H98 N8 O11 -","- C312 H392 N32 O44 -","4","2","","Charles-André Fustin; Christian Bailly; Guy J. Clarkson; Philippe De Groote; Trent H. Galow; David A. Leigh; Duncan Robertson; Alexandra M. Z. Slawin; Jenny K. Y. Wong","Mechanically Linked Polycarbonate","Journal of the American Chemical Society","2003","125","","2200","2207","10.1021/ja0292546","","","0.71073","MoKα","","0.3135","0.168","","0.5043","0.4019","","","","0.933","1.588","1.588","","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113490","14.69","0.0001","60.505","0.0007","11.762","0.0001","90","","90","","90","","10454.3","0.17","200","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C22 H31 Fe O6 P3 S -","- C22 H31 Fe O6 P3 S -","- C352 H496 Fe16 O96 P48 S16 -","16","1","","Tsutomu Mizuta; Yuki Imamura; Katsuhiko Miyoshi","Ring-Opening Reaction of Phosphorus-Bridged [1]Ferrocenophane via Ring Slippage from η5- to η1-Cp","Journal of the American Chemical Society","2003","125","","2068","2069","10.1021/ja029297m","","","0.7107","MoKα","","","0.0374","","","","0.0666","","","","","","1.323","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113491","11.96","0.005","19.135","0.008","13.097","0.005","90","","99.847","0.005","90","","2953","2","173.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Mo S2 Si4 -","- C24 H42 Mo S2 Si4 -","- C96 H168 Mo4 S8 Si16 -","4","1","","Takashi Komuro; Tsukasa Matsuo; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Unusual Coordination Modes of Arylthiolates in Mo{η5-SC6H3-2,6-(SiMe3)2}{η7-SC6H3-2,6-(SiMe3)2}","Journal of the American Chemical Society","2003","125","","2070","2071","10.1021/ja029541+","","","0.7107","MoKα","","","0.05","","","","0.129","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113492","11.496","0.008","15.287","0.009","13.237","0.009","90","","114.96","0.01","90","","2109","2","173.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H54 Mo N4 S2 Si4 -","- C32 H54 Mo N4 S2 Si4 -","- C64 H108 Mo2 N8 S4 Si8 -","2","1","","Takashi Komuro; Tsukasa Matsuo; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Unusual Coordination Modes of Arylthiolates in Mo{η5-SC6H3-2,6-(SiMe3)2}{η7-SC6H3-2,6-(SiMe3)2}","Journal of the American Chemical Society","2003","125","","2070","2071","10.1021/ja029541+","","","0.7107","MoKα","","","0.059","","","","0.168","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113493","12.395","0.005","17.433","0.006","20.061","0.008","90","","90.849","0.005","90","","4334","3","173.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H51 Mo S3 Si3 -","- C45 H51 Mo S3 Si3 -","- C180 H204 Mo4 S12 Si12 -","4","1","","Takashi Komuro; Tsukasa Matsuo; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Unusual Coordination Modes of Arylthiolates in Mo{η5-SC6H3-2,6-(SiMe3)2}{η7-SC6H3-2,6-(SiMe3)2}","Journal of the American Chemical Society","2003","125","","2070","2071","10.1021/ja029541+","","","0.7107","MoKα","","","0.055","","","","0.142","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113494","10.0834","0.0013","17.335","0.002","25.586","0.003","90","","90","","90","","4472.3","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C78 H15 Cl3 S2 -","- C78 H15 Cl3 S2 -","- C312 H60 Cl12 S8 -","4","1","","Wenyuan Qian; Shih-Ching Chuang; Roberto B. Amador; Thibaut Jarrosson; Michael Sander; Susan Pieniazek; Saeed I. Khan; Yves Rubin","Synthesis of Stable Derivatives of C62: The First Nonclassical Fullerene Incorporating a Four-Membered Ring","Journal of the American Chemical Society","2003","125","","2066","2067","10.1021/ja029679s","","","0.71073","MoKα","","0.1112","0.0586","","","0.1355","0.1584","","","","","","0.968","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113495","17.874","0.0014","10.3011","0.0008","24.4161","0.0019","90","","102.156","0.002","90","","4394.7","0.6","213","2","213","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","tetrakis(N,N'-diphenylformamidinato)divanadium(II,II)","","- C52 H44 N8 V2 -","- C52 H44 N8 V2 -","- C208 H176 N32 V8 -","4","1","","F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo","A Highly Reduced V23+ Unit with a Metal-Metal Bond Order of 3.5","Journal of the American Chemical Society","2003","125","","2026","2027","10.1021/ja029792i","","","0.71073","MoKα","","0.0892","0.0568","","","0.1361","0.1533","","","","","","1.02","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113496","20.2487","0.001","12.4492","0.0006","22.9565","0.0012","90","","90","","90","","5786.9","0.5","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Potassium tetrakis(N,N'-diphenylformamidinate)divanadate(I,II)","","- C64 H68 K N8 O3 V2 -","- C64 H68 K N8 O3 V2 -","- C256 H272 K4 N32 O12 V8 -","4","1","","F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo","A Highly Reduced V23+ Unit with a Metal-Metal Bond Order of 3.5","Journal of the American Chemical Society","2003","125","","2026","2027","10.1021/ja029792i","","","0.71073","MoKα","","0.0809","0.0456","","","0.0814","0.0948","","","","","","1.022","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113497","29.38","0.01","7.473","0.008","10.371","0.007","90","","90","","90","","2277","3","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H30 N2 O7 -","- C24 H30 N2 O7 -","- C96 H120 N8 O28 -","4","1","","Carina E. Cannizzaro; Jon A. Ashley; K. D. Janda; K. N. Houk","Experimental Determination of the Absolute Enantioselectivity of an Antibody-Catalyzed Diels-Alder Reaction and Theoretical Explorations of the Origins of Stereoselectivity","Journal of the American Chemical Society","2003","125","","2489","2506","10.1021/ja020879d","","","1.5418","CuKα","","0.0414","0.036","","","0.0958","0.1006","","","","","","1.034","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113498","22.2675","0.0015","19.8014","0.0014","22.5546","0.0015","90","","113.569","0.001","90","","9115.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H65 N O2 W -","- C50 H65 N O2 W -","- C400 H520 N8 O16 W8 -","8","1","","W. C. Peter Tsang; Kai C. Hultzsch; John B. Alexander; Peter J. Bonitatebus; Richard R. Schrock; Amir H. Hoveyda","Alkylidene and Metalacyclic Complexes of Tungsten that Contain a Chiral Biphenoxide Ligand. Synthesis, Asymmetric Ring-Closing Metathesis, and Mechanistic Investigations","Journal of the American Chemical Society","2003","125","","2652","2666","10.1021/ja0210603","","","0.71073","MoKα","","0.1026","0.0887","","","0.1437","0.1478","","","","","","1.397","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4113499","10.188","0.0016","10.8869","0.0017","21.512","0.003","75.914","0.003","80.904","0.002","65.334","0.002","2098.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H63 N O3 W -","- C45 H63 N O3 W -","- C90 H126 N2 O6 W2 -","2","1","","W. C. Peter Tsang; Kai C. Hultzsch; John B. Alexander; Peter J. Bonitatebus; Richard R. Schrock; Amir H. Hoveyda","Alkylidene and Metalacyclic Complexes of Tungsten that Contain a Chiral Biphenoxide Ligand. Synthesis, Asymmetric Ring-Closing Metathesis, and Mechanistic Investigations","Journal of the American Chemical Society","2003","125","","2652","2666","10.1021/ja0210603","","","0.71073","MoKα","","0.0292","0.0281","","","0.0701","0.0708","","","","","","1.118","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113500","9.8362","0.0007","10.226","0.0007","10.8212","0.0008","114.171","0.001","108.499","0.001","91.328","0.001","926.85","0.11","98","","98","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H67 Cl O P2 Ru -","- C37 H67 Cl O P2 Ru -","- C37 H67 Cl O P2 Ru -","1","0.5","","Tina M. Trnka; John P. Morgan; Melanie S. Sanford; Thomas E. Wilhelm; Matthias Scholl; Tae-Lim Choi; Sheng Ding; Michael W. Day; Robert H. Grubbs","Synthesis and Activity of Ruthenium Alkylidene Complexes Coordinated with Phosphine and N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2003","125","","2546","2558","10.1021/ja021146w","","","0.71073","MoKα","","0.0353","0.0303","","","0.0627","0.0638","","","","","","1.523","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113501","10.2758","0.0009","13.0394","0.0011","14.7233","0.0013","92.336","0.002","103.428","0.001","91.814","0.001","1915.5","0.3","98","2","98","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.5 H59 Cl2 N2 O P Ru -","- C40.5 H59 Cl2 N2 O P Ru -","- C81 H118 Cl4 N4 O2 P2 Ru2 -","2","1","","Tina M. Trnka; John P. Morgan; Melanie S. Sanford; Thomas E. Wilhelm; Matthias Scholl; Tae-Lim Choi; Sheng Ding; Michael W. Day; Robert H. Grubbs","Synthesis and Activity of Ruthenium Alkylidene Complexes Coordinated with Phosphine and N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2003","125","","2546","2558","10.1021/ja021146w","","","0.71073","MoKα","","0.0503","0.0383","","","0.0807","0.0832","","","","","","1.187","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113502","11.663","0.003","14.676","0.004","25.176","0.007","94.523","0.005","95.698","0.004","90.666","0.005","4274","2","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H56 Cl2 N4 Ru -","- C49 H56 Cl2 N4 Ru -","- C196 H224 Cl8 N16 Ru4 -","4","2","","Tina M. Trnka; John P. Morgan; Melanie S. Sanford; Thomas E. Wilhelm; Matthias Scholl; Tae-Lim Choi; Sheng Ding; Michael W. Day; Robert H. Grubbs","Synthesis and Activity of Ruthenium Alkylidene Complexes Coordinated with Phosphine and N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2003","125","","2546","2558","10.1021/ja021146w","","","0.71073","MoKα","","0.0857","0.0421","","","0.0629","0.0696","","","","","","1.026","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113503","10.9897","0.0008","16.5354","0.0013","21.4911","0.0016","90","","90","","90","","3905.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H59 Mo N O2 -","- C44 H59 Mo N O2 -","- C176 H236 Mo4 N4 O8 -","4","1","","W. C. Peter Tsang; Jesper A. Jernelius; G. A. Cortez; Gabriel S. Weatherhead; Richard R. Schrock; Amir H. Hoveyda","An Enantiomerically Pure Adamantylimido Molybdenum Alkylidene Complex. An Effective New Catalyst for Enantioselective Olefin Metathesis","Journal of the American Chemical Society","2003","125","","2591","2596","10.1021/ja021204d","","","0.71073","MoKα","","0.0289","0.0268","","","0.0626","0.0633","","","","","","1.07","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113504","11.073","0.003","25.216","0.006","16.324","0.004","90","","99.21","0.02","90","","4499","2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H45 Cl2 F6 P3 Ru -","- C51 H45 Cl2 F6 P3 Ru -","- C204 H180 Cl8 F24 P12 Ru4 -","4","1","","Patricia Álvarez; Elena Lastra; José Gimeno; Mauro Bassetti; Larry R. Falvello","Formation of a Cyclobutylidene Ring: Intramolecular [2 + 2] Cycloaddition of Allyl and Vinylidene CC Bonds under Mild Conditions","Journal of the American Chemical Society","2003","125","","2386","2387","10.1021/ja027209s","","","0.71073","MoKα","","0.1052","0.0556","","","0.1299","0.1517","","","","","","1.044","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113505","13.316","0.001","13.5443","0.0012","16.085","0.0013","90","","108.467","0.005","90","","2751.6","0.4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H30 Cl2 Co N12 O8 -","- C18 H30 Cl2 Co N12 O8 -","- C72 H120 Cl8 Co4 N48 O32 -","4","1","","Jeffrey C. Yoder; Justine P. Roth; Emily M. Gussenhoven; Anna S. Larsen; James M. Mayer","Electron and Hydrogen-Atom Self-Exchange Reactions of Iron and Cobalt Coordination Complexes","Journal of the American Chemical Society","2003","125","","2629","2640","10.1021/ja0273905","","","0.71074","MoKα","","0.0785","0.0545","","","0.1285","0.1521","","","","","","1.094","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113506","12.9233","0.0003","19.8358","0.0006","21.2816","0.0006","113.596","0.0014","97.8952","0.0014","106.096","0.0012","4608.3","0.2","161","2","161","2","","","","","","","","6","P -1","-P 1","2","","","","- C18.67 H31 Cl3 Co N12.33 O12 -","- C18.6667 H31 Cl3 Co N12.3333 O12 -","- C112 H186 Cl18 Co6 N74 O72 -","6","3","","Jeffrey C. Yoder; Justine P. Roth; Emily M. Gussenhoven; Anna S. Larsen; James M. Mayer","Electron and Hydrogen-Atom Self-Exchange Reactions of Iron and Cobalt Coordination Complexes","Journal of the American Chemical Society","2003","125","","2629","2640","10.1021/ja0273905","","","0.7107","MoKα","","0.0816","0.0482","","","0.1173","0.1343","","","","","","0.995","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113507","11.8269","0.0008","19.9881","0.0014","14.2144","0.001","90","","112.229","0.001","90","","3110.5","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 Cl3 Co N O3 P2 -","- C28 H31 Cl3 Co N O3 P2 -","- C112 H124 Cl12 Co4 N4 O12 P8 -","4","1","","Javier Sánchez-Nieves; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","A Thermally Stable and Sterically Unprotected Terminal Electrophilic Phosphinidene Complex of Cobalt and Its Conversion to an η1-Phosphirene","Journal of the American Chemical Society","2003","125","","2404","2405","10.1021/ja028303b","","","0.71073","MoKα","","0.0592","0.0393","","","0.0974","0.1045","","","","","","1.074","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113508","12.526","0.0006","12.8291","0.0006","20.4241","0.001","90","","90","","90","","3282.1","0.3","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Al Cl4 Co N O3 P2 -","- C27 H29 Al Cl4 Co N O3 P2 -","- C108 H116 Al4 Cl16 Co4 N4 O12 P8 -","4","1","","Javier Sánchez-Nieves; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","A Thermally Stable and Sterically Unprotected Terminal Electrophilic Phosphinidene Complex of Cobalt and Its Conversion to an η1-Phosphirene","Journal of the American Chemical Society","2003","125","","2404","2405","10.1021/ja028303b","","","0.71073","MoKα","","0.0599","0.038","","","0.0822","0.0896","","","","","","1.022","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113509","12.3668","0.0005","13.0461","0.0006","15.9147","0.0007","88.193","0.001","75.292","0.001","73.836","0.001","2383.22","0.18","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C41.5 H40 Al Cl5 Co N O3 P2 -","- C41.44 H39.95 Al Cl5 Co N O3 P2 -","- C82.88 H79.9 Al2 Cl10 Co2 N2 O6 P4 -","2","1","","Javier Sánchez-Nieves; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","A Thermally Stable and Sterically Unprotected Terminal Electrophilic Phosphinidene Complex of Cobalt and Its Conversion to an η1-Phosphirene","Journal of the American Chemical Society","2003","125","","2404","2405","10.1021/ja028303b","","","0.71073","MoKα","","0.0791","0.0487","","","0.165","0.1794","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113510","12.446","0.002","18.815","0.004","20.58","0.004","90","","92.692","0.006","90","","4813.9","1.6","90","2","91","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ar*GaB(C6F5)3","","","- C54 H49 B F15 Ga -","- C54 H49 B F15 Ga -","- C216 H196 B4 F60 Ga4 -","4","1","","Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power","Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding","Journal of the American Chemical Society","2003","125","","2667","2679","10.1021/ja028579j","","","0.71073","MoKα","","0.0849","0.0527","","","0.127","0.1508","","","","","","1.01","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113511","18.4464","0.0009","20.6011","0.001","25.3976","0.0012","90","","90","","90","","9651.5","0.8","90","2","90","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","Ar'4*Ga11","","","- C213 H200 Ga22 -","- C213 H200 Ga22 -","- C426 H400 Ga44 -","2","0.5","","Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power","Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding","Journal of the American Chemical Society","2003","125","","2667","2679","10.1021/ja028579j","","","0.71073","MoKα","","0.0802","0.0493","","","0.1124","0.1258","","","","","","1.03","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113512","11.9331","0.0009","12.5786","0.0009","17.8282","0.0013","90.9","0.001","97.647","0.001","107.331","0.001","2527.5","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Ar#GaB(C6F5)3","","","- C56 H53 B F15 Ga -","- C56 H53 B F15 Ga -","- C112 H106 B2 F30 Ga2 -","2","1","","Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power","Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding","Journal of the American Chemical Society","2003","125","","2667","2679","10.1021/ja028579j","","","0.71073","MoKα","","0.0474","0.0378","","","0.1123","0.1228","","","","","","1.029","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113513","9.2139","0.0007","16.7871","0.0013","24.6129","0.0019","90","","92.268","0.002","90","","3804","0.5","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ar#Li(Et2O)","","","- C42 H63 Li O -","- C42 H63 Li O -","- C168 H252 Li4 O4 -","4","1","","Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power","Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding","Journal of the American Chemical Society","2003","125","","2667","2679","10.1021/ja028579j","","","0.71073","MoKα","","0.0693","0.0579","","","0.1667","0.1774","","","","","","1.021","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113514","22.0914","0.0008","16.5373","0.0006","10.541","0.0004","90","","90","","90","","3851","0.2","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Dipp2N^NGaFe(CO)4","","","- C40 H49 Fe Ga N2 O4 -","- C40.84 H46 Fe Ga N2 O4 -","- C163.36 H184 Fe4 Ga4 N8 O16 -","4","0.5","","Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power","Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding","Journal of the American Chemical Society","2003","125","","2667","2679","10.1021/ja028579j","","","0.71073","MoKα","","0.0412","0.033","","","0.0886","0.0948","","","","","","1.048","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113515","9.047","0.0004","26.8579","0.0011","15.3625","0.0006","90","","94.269","0.001","90","","3722.5","0.3","91","2","91","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(Ar*Ga(CH2C(CH3))2)2","","","- C84 H118 Ga2 -","- C84 H118 Ga2 -","- C168 H236 Ga4 -","2","0.5","","Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power","Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding","Journal of the American Chemical Society","2003","125","","2667","2679","10.1021/ja028579j","","","0.71073","MoKα","","0.0982","0.0509","","","0.1103","0.1262","","","","","","0.783","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113516","17.216","0.002","22.819","0.005","22.301","0.003","90","","102.876","0.005","90","","8541","2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ar'GaB(C6F5)3","","","- C48 H37 B F15 Ga -","- C48 H37 B F15 Ga -","- C384 H296 B8 F120 Ga8 -","8","2","","Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power","Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding","Journal of the American Chemical Society","2003","125","","2667","2679","10.1021/ja028579j","","","0.71073","MoKα","","0.0948","0.0555","","","0.1165","0.1381","","","","","","1.087","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113517","13.969","0.009","15.832","0.011","17.957","0.009","89.5","0.03","71.97","0.02","89.94","0.03","3776","4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","(Ar*GaI)2.2C6H6","","","- C84 H110 Ga2 I2 -","- C84 H110 Ga2 I2 -","- C168 H220 Ga4 I4 -","2","1","","Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power","Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding","Journal of the American Chemical Society","2003","125","","2667","2679","10.1021/ja028579j","","","0.71073","MoKα","","0.0722","0.0604","","","0.1466","0.1577","","","","","","1.015","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113518","16.9713","0.0007","15.6743","0.0006","14.2523","0.0006","90","","105.555","0.001","90","","3652.4","0.3","223","2","223","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C60 H88 O20 P4 Sn6 -","- C60 H88 O20 P4 Sn6 -","- C120 H176 O40 P8 Sn12 -","2","0.25","","Vadapalli Chandrasekhar; Viswanathan Baskar; Jagadese J. Vittal","A New Structural Form of Tin in a Double O-Capped Cluster","Journal of the American Chemical Society","2003","125","","2392","2393","10.1021/ja0287478","","","0.71073","MoKα","","0.0349","0.0282","","","0.0615","0.063","","","","","","1.019","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113519","9.1071","0.0008","12.029","0.001","12.839","0.001","90","","98.839","0.008","90","","1389.8","0.2","296.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O4 -","- C15 H17 O4 -","- C60 H68 O16 -","4","1","","Shinji Harada; Naoya Kumagai; Tomofumi Kinoshita; Shigeki Matsunaga; Masakatsu Shibasaki","Direct Catalytic Asymmetric Michael Reaction of Hydroxyketones: Asymmetric Zn Catalysis with a Et2Zn/Linked-BINOL Complex","Journal of the American Chemical Society","2003","125","","2582","2590","10.1021/ja028928+","","","0.7107","MoKα","","","0.056","","","","0.1525","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113520","18.191","0.001","18.649","0.001","6.0329","0.0003","90","","90","","90","","2046.62","0.19","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 Cl O4 -","- C24 H20 Cl O4 -","- C96 H80 Cl4 O16 -","4","1","","Shinji Harada; Naoya Kumagai; Tomofumi Kinoshita; Shigeki Matsunaga; Masakatsu Shibasaki","Direct Catalytic Asymmetric Michael Reaction of Hydroxyketones: Asymmetric Zn Catalysis with a Et2Zn/Linked-BINOL Complex","Journal of the American Chemical Society","2003","125","","2582","2590","10.1021/ja028928+","","","0.7107","MoKα","","","0.0281","","","","0.0704","","","","","","0.524","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113521","5.2036","0.0001","8.4948","0.0001","36.9415","0.0004","90","","90.042","0.001","90","","1632.94","0.04","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 O2 -","- C16 H30 O2 -","- C64 H120 O8 -","4","1","","Weishi Miao; Wenshuo Lu; Tak Hang Chan","Remarkable 1,6-Acyclic Diastereoselection in the Coupling of a Novel Butadienyl Di-indium Compound with Aldehydes","Journal of the American Chemical Society","2003","125","","2412","2413","10.1021/ja0295467","","","1.54178","CuKα","","0.0713","0.0552","","","0.1634","0.1749","","","","","","1.006","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113522","22.9918","0.0003","23.086","0.0003","23.0773","0.0005","90","","90.755","0.001","90","","12248.1","0.3","193","2","143","2","","","","","","","synthetic","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H108 N10 Re -","- C55 H104.5 N10 Re -","- C440 H836 N80 Re8 -","8","2","","Miriam V. Bennett; Jeffrey R. Long","New Cyanometalate Building Units: Synthesis and Characterization of [Re(CN)7]3- and [Re(CN)8]3-","Journal of the American Chemical Society","2003","125","","2394","2395","10.1021/ja029795v","","","0.71073","MoKα","","0.1165","0.0541","","0.1489","0.125","","","","1.249","1.364","1.364","","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113523","7.5397","0.0003","12.5924","0.0006","19.7366","0.0011","78.868","0.001","87.873","0.002","88.026","0.002","1836.62","0.15","293","2","136","2","","","","","","","synthetic","6","P -1","-P 1","2","","","","- C7 H16 Mn2 N7 O8 Re -","- C14 Mn4 N14 O16 Re2 -","- C28 Mn8 N28 O32 Re4 -","2","1","","Miriam V. Bennett; Jeffrey R. Long","New Cyanometalate Building Units: Synthesis and Characterization of [Re(CN)7]3- and [Re(CN)8]3-","Journal of the American Chemical Society","2003","125","","2394","2395","10.1021/ja029795v","","","0.71073","MoKα","","0.0888","0.0552","","0.1566","0.1372","","","","1.034","1.104","1.104","","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113524","17.2149","0.0005","10.517","0.0003","9.3391","0.0003","90","","90","","90","","1690.84","0.09","134","2","134","2","","","","","","","synthetic","5","P n m a","-P 2ac 2n","62","","","","- C12 H6 K3 N10 Re -","- C10 H3 K3 N9 Re -","- C40 H12 K12 N36 Re4 -","4","0.5","","Miriam V. Bennett; Jeffrey R. Long","New Cyanometalate Building Units: Synthesis and Characterization of [Re(CN)7]3- and [Re(CN)8]3-","Journal of the American Chemical Society","2003","125","","2394","2395","10.1021/ja029795v","","","0.71073","MoKα","","0.0221","0.0194","","0.044","0.0438","","","","1.005","1.068","1.068","","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113525","5.6168","0.0011","16.076","0.003","17.651","0.004","64.339","0.003","81.984","0.003","86.122","0.004","1422.5","0.5","153.2","","153.2","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 O P2 S -","- C34 H32 O P2 S -","- C68 H64 O2 P4 S2 -","2","1","","Adam H. Eisenberg; Maxim V. Ovchinnikov; Chad A. Mirkin","Stepwise Formation of Heterobimetallic Macrocycles Synthesized via the Weak-Link Approach","Journal of the American Chemical Society","2003","125","","2836","2837","10.1021/ja027936n","","","0.7107","MoKα","","0.1424","0.064","","0.14","","0.059","","","1.66","","","2.24","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113526","10.7188","0.0003","13.7619","0.0005","14.0021","0.0005","69.641","0.001","89.732","0.001","73.989","0.001","1851.75","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H37 I3 N11 Tm -","- C22 H37 I3 N11 Tm -","- C44 H74 I6 N22 Tm2 -","2","1","","Mikhail N. Bochkarev; Georgii V. Khoroshenkov; Herbert Schumann; Sebastian Dechert","A Novel Bis(imino)amine Ligand as a Result of Acetonitrile Coupling with the Diiodides of Dy(II) and Tm(II)","Journal of the American Chemical Society","2003","125","","2894","2895","10.1021/ja028311s","","","0.71073","MoKα","","0.0832","0.0499","","","0.0961","0.1061","","","","","","1.016","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113527","20.3218","0.0003","13.8313","0.0001","15.4992","0.0001","90","","90","","90","","4356.47","0.08","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C26 H43 Dy I3 N13 -","- C26 H46 Dy I3 N13 -","- C104 H184 Dy4 I12 N52 -","4","0.5","","Mikhail N. Bochkarev; Georgii V. Khoroshenkov; Herbert Schumann; Sebastian Dechert","A Novel Bis(imino)amine Ligand as a Result of Acetonitrile Coupling with the Diiodides of Dy(II) and Tm(II)","Journal of the American Chemical Society","2003","125","","2894","2895","10.1021/ja028311s","","","0.71073","MoKα","","0.0594","0.0419","","","0.0916","0.0995","","","","","","1.052","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113528","8.651","0.002","13.05","0.003","17.393","0.004","90","","106.009","0.004","90","","1887.4","0.8","150.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 O2 Si W -","- C18 H28 O2 Si W -","- C72 H112 O8 Si4 W4 -","4","1","","Hiroyuki Sakaba; Sanae Watanabe; Chizuko Kabuto; Kuninobu Kabuto","Novel η3-1-Silaallyl Tungsten Complexes via Si-H Bond Activation of Hydrovinylsilanes: Structure and Reactivity toward Methanol","Journal of the American Chemical Society","2003","125","","2842","2843","10.1021/ja028432s","","","0.7107","MoKα","","0.0295","0.0209","","","0.0517","0.0558","","","","","","0.928","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113529","15.805","0.003","8.606","0.002","15.728","0.003","90","","102.802","0.003","90","","2086.1","0.7","150.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 O3 Si W -","- C19 H32 O3 Si W -","- C76 H128 O12 Si4 W4 -","4","1","","Hiroyuki Sakaba; Sanae Watanabe; Chizuko Kabuto; Kuninobu Kabuto","Novel η3-1-Silaallyl Tungsten Complexes via Si-H Bond Activation of Hydrovinylsilanes: Structure and Reactivity toward Methanol","Journal of the American Chemical Society","2003","125","","2842","2843","10.1021/ja028432s","","","0.7107","MoKα","","0.0353","0.0273","","","0.0609","0.0642","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113530","27.396","0.001","27.3958","0.0008","10.7569","0.0008","90","0.0003","90","0.0003","120","0.0003","6991.8","0.6","123.2","","","","","","","","","","","5","R 3 :H","R 3","146","","","","- C66 H90 N18 O48 Pr4 -","- C66 H90 N30 O84 Pr4 -","- C198 H270 N90 O252 Pr12 -","3","0.333333","","Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi","Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes","Journal of the American Chemical Society","2003","125","","2989","2996","10.1021/ja028698z","","","0.7107","MoKα","","","14.1151","","","","0.0816","","","","","","1.25","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113531","9.7629","0.0009","17.059","0.001","9.753","0.0009","90","","101.909","0.003","90","","1589.4","0.2","293.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H30 Gd N5 O13 -","- C22 H30 Gd N5 O13 -","- C44 H60 Gd2 N10 O26 -","2","1","","Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi","Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes","Journal of the American Chemical Society","2003","125","","2989","2996","10.1021/ja028698z","","","0.7107","MoKα","","","0.0712","","","","0.2063","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113532","11.951","0.001","15.125","0.001","16.774","0.001","90","","90","","90","","3032","0.4","296.2","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C24 H36 N5 O14 Y -","- C46 H58 N7 O27 Y -","- C184 H232 N28 O108 Y4 -","4","0.5","","Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi","Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes","Journal of the American Chemical Society","2003","125","","2989","2996","10.1021/ja028698z","","","0.7107","MoKα","","","0.0355","","","","0.0689","","","","","","1.118","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113533","33.465","0.001","11.6756","0.0004","12.9318","0.0007","90","","90","","90","","5052.8","0.4","103.2","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H51 N9 O27 Pr2 -","- C48 H34 N14 O42 Pr2 -","- C192 H136 N56 O168 Pr8 -","4","1","","Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi","Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes","Journal of the American Chemical Society","2003","125","","2989","2996","10.1021/ja028698z","","","0.7107","MoKα","","","0.051","","","","0.0912","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113534","26.87","0.001","26.8699","0.0008","11.6699","0.0008","90","0.0003","90","0.0003","120","0.0003","7296.8","0.6","296.2","","","","","","","","","","","6","R 3 :H","R 3","146","","","","- C22.67 H28 Br2 N6 O16.33 Pr1.33 -","- C22.6667 Br2 N10 O28.99 Pr1.33333 -","- C204 Br18 N90 O260.91 Pr12 -","9","1","","Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi","Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes","Journal of the American Chemical Society","2003","125","","2989","2996","10.1021/ja028698z","","","0.7107","MoKα","","","0.0371","","","","0.1111","","","","","","1.325","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113535","9.816","0.003","12.585","0.002","13.562","0.004","81.31","0.02","79.61","0.03","84.68","0.02","1625.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(C28H22N2S6).(CH2Cl2)1.5","","","- C59 H44 Cl6 N4 S12 -","- C59 H44 Cl6 N4 S12 -","- C59 H44 Cl6 N4 S12 -","1","0.5","","Michel Guerro; Roger Carlier; Kamal Boubekeur; Dominique Lorcy; Philippe Hapiot","Cyclic Vinylogous TTF: a Potential Molecular Clip Triggered by Electron Transfer","Journal of the American Chemical Society","2003","125","","3159","3167","10.1021/ja0289090","","","0.71073","MoKα","","0.1645","0.0564","","","0.1405","0.1741","","","","","","0.979","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113536","12.8332","0.001","10.1122","0.0011","24.0994","0.0018","90","","100.699","0.009","90","","3073.1","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(C28H22N2S6).(MeCN)","","","- C30 H25 N3 S6 -","- C30 H25 N3 S6 -","- C120 H100 N12 S24 -","4","1","","Michel Guerro; Roger Carlier; Kamal Boubekeur; Dominique Lorcy; Philippe Hapiot","Cyclic Vinylogous TTF: a Potential Molecular Clip Triggered by Electron Transfer","Journal of the American Chemical Society","2003","125","","3159","3167","10.1021/ja0289090","","","0.71073","MoKα","","0.046","0.0379","","","0.1065","0.1108","","","","","","1.045","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113537","11.3213","0.001","12.8455","0.0009","20.754","0.002","90","","90.79","0.008","90","","3017.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(C27H20N2S6).(CH2CL2)0.5","","","- C55 H42 Cl2 N4 S12 -","- C55 H42 Cl2 N4 S12 -","- C110 H84 Cl4 N8 S24 -","2","0.5","","Michel Guerro; Roger Carlier; Kamal Boubekeur; Dominique Lorcy; Philippe Hapiot","Cyclic Vinylogous TTF: a Potential Molecular Clip Triggered by Electron Transfer","Journal of the American Chemical Society","2003","125","","3159","3167","10.1021/ja0289090","","","0.71073","MoKα","","0.0951","0.0719","","","0.2029","0.2188","","","","","","0.923","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113538","7.9934","0.0016","13.652","0.003","18.487","0.004","90","","94.27","0.03","90","","2011.8","0.7","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","(C28 H28 O2 S6) (I3)2","","","- C28 H28 I6 O2 S6 -","- C28 H28 I6 O2 S6 -","- C56 H56 I12 O4 S12 -","2","0.5","","Michel Guerro; Roger Carlier; Kamal Boubekeur; Dominique Lorcy; Philippe Hapiot","Cyclic Vinylogous TTF: a Potential Molecular Clip Triggered by Electron Transfer","Journal of the American Chemical Society","2003","125","","3159","3167","10.1021/ja0289090","","","0.71073","MoKα","","0.0971","0.0366","","","0.0803","0.0969","","","","","","0.889","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113539","22.101","0.007","10.218","0.003","14.283","0.005","90","","91.276","0.006","90","","3224.7","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 La2 O15 -","- C30 H24 La2 O15 -","- C120 H96 La8 O60 -","4","1","","Long Pan; Kristie M. Adams; Hayden E. Hernandez; Xiaotai Wang; Chong Zheng; Yoshiyuki Hattori; Katsumi Kaneko","Porous Lanthanide-Organic Frameworks: Synthesis, Characterization, and Unprecedented Gas Adsorption Properties","Journal of the American Chemical Society","2003","125","","3062","3067","10.1021/ja028996w","","","0.71073","MoKα","","0.0571","0.053","","","0.1278","0.1304","","","","","","1.17","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113540","21.62","0.0002","9.9719","0.0001","14.0453","0.0001","90","","91.584","0.001","90","","3026.9","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Er2(C10H8O4)3 3H2O","","- C30 H30 Er2 O15 -","- C30 H24 Er2 O15 -","- C120 H96 Er8 O60 -","4","1","","Long Pan; Kristie M. Adams; Hayden E. Hernandez; Xiaotai Wang; Chong Zheng; Yoshiyuki Hattori; Katsumi Kaneko","Porous Lanthanide-Organic Frameworks: Synthesis, Characterization, and Unprecedented Gas Adsorption Properties","Journal of the American Chemical Society","2003","125","","3062","3067","10.1021/ja028996w","","","0.71073","MoKα","","0.0797","0.0643","","","0.101","0.1052","","","","","","1.378","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113541","6.2833","0.0005","9.722","0.001","17.974","0.002","90","","90","","90","","1097.96","0.19","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O3 S -","- C12 H12 O3 S -","- C48 H48 O12 S4 -","4","1","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","1.5418","CuKα","","","0.028","","","","0.082","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113542","7.1956","0.0004","9.8812","0.0006","10.0669","0.0005","90","","107.374","0.002","90","","683.11","0.07","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 O3 S -","- C15 H18 O3 S -","- C30 H36 O6 S2 -","2","1","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.032","","","","0.094","","","","","","1.491","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113543","27.53","0.003","12.791","0.001","7.2049","0.0006","90","","95.019","0.002","90","","2527.4","0.4","93.1","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H31 Br N O4 S -","- C26 H31 Br N O4 S -","- C104 H124 Br4 N4 O16 S4 -","4","1","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.041","","","","0.085","","","","","","1.219","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113544","5.9304","0.0003","16.493","0.001","14.995","0.001","90","","89.053","0.003","90","","1466.46","0.15","93.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 Br O3 S -","- C15 H17 Br O3 S -","- C60 H68 Br4 O12 S4 -","4","2","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.044","","","","0.099","","","","","","1.307","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113545","8.4018","0.0002","12.7916","0.0003","14.8966","0.0003","90","","90","","90","","1600.97","0.06","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O3 S -","- C17 H22 O3 S -","- C68 H88 O12 S4 -","4","1","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.023","","","","0.063","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113546","7.869","0.002","15.702","0.003","18.622","0.003","90","","90","","90","","2300.9","0.8","93.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O9 S -","- C23 H22 N2 O9 S -","- C92 H88 N8 O36 S4 -","4","1","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.034","","","","0.073","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113547","9.823","0.001","11.023","0.002","12.542","0.002","90","","90","","90","","1358","0.4","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O3 S -","- C16 H16 O3 S -","- C64 H64 O12 S4 -","4","1","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.026","","","","0.062","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113548","8.022","0.003","8.91","0.004","13.138","0.005","80.19","0.04","79.47","0.03","69.01","0.03","856.3","0.6","296.1","","","","","","","","","","","4","P 1","P 1","1","","","","- C19 H22 O3 S -","- C19 H22 O3 S -","- C38 H44 O6 S2 -","2","2","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.044","","","","0.125","","","","","","1.349","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113549","8.4622","0.0007","8.0474","0.0006","11.547","0.001","90","","110.062","0.003","90","","738.62","0.11","123.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 O3 S -","- C17 H18 O3 S -","- C34 H36 O6 S2 -","2","1","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.0346","","","","0.0866","","","","","","1.198","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113550","8.3482","0.0005","8.675","0.0005","40.331","0.002","90","","90","","90","","2920.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H45 N O5 -","- C31 H45 N O5 -","- C124 H180 N4 O20 -","4","1","","Chutian Shu; Lanny S. Liebeskind","Enantiocontrolled Synthesis of 2,6-Disubstituted Piperidines by Desymmetrization of meso-η-(3,4,5)-Dihydropyridinylmolybdenum Complexes. Application to the Total Synthesis of (-)-Dihydropinidine and (-)-Andrachcinidine","Journal of the American Chemical Society","2003","125","","2878","2879","10.1021/ja029537y","","","0.71073","MoKα","","0.0535","0.0487","","","0.1176","0.1202","","","","","","1.112","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113551","8.483","0.001","12.444","0.002","51.98","0.01","90","","90","","90","","5487.1","1.5","294","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H20 N2 S6 -","- C30 H20 N2 S6 -","- C240 H160 N16 S48 -","8","1","","Bruno Jousselme; Philippe Blanchard; Nuria Gallego-Planas; Jacques Delaunay; Magali Allain; Pascal Richomme; Eric Levillain; Jean Roncali","Photomechanical Actuation and Manipulation of the Electronic Properties of Linear π-Conjugated Systems","Journal of the American Chemical Society","2003","125","","2888","2889","10.1021/ja029754z","","","0.71073","Mo-Kα","","0.173","0.045","","0.18","","0.065","","","3.076","","","1.213","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113552","29.7502","0.0004","24.2689","0.0007","20.0769","0.0007","90","0","90","0","90","0","14495.6","0.7","298","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C133 H32 Cl2 N2 -","- C132.5 H32 Cl2 N2 -","- C1060 H256 Cl16 N16 -","8","0.5","","Eiichi Nakamura; Kazukuni Tahara; Yutaka Matsuo; Masaya Sawamura","Synthesis, Structure, and Aromaticity of a Hoop-Shaped Cyclic Benzenoid [10]Cyclophenacene","Journal of the American Chemical Society","2003","125","","2834","2835","10.1021/ja029915z","","","0.71073","xray","","","0.033","","","0.036","","","","","3.112","3.112","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113553","19.745","0.0015","16.541","0.002","20.034","0.003","90","","91.675","0.006","90","","6540.3","1.4","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","C60Me5Ph5O3(OH)2","","- C104 H46 Cl1.5 O4 -","- C104 H46 Cl1.5 O4 -","- C416 H184 Cl6 O16 -","4","1","","Eiichi Nakamura; Kazukuni Tahara; Yutaka Matsuo; Masaya Sawamura","Synthesis, Structure, and Aromaticity of a Hoop-Shaped Cyclic Benzenoid [10]Cyclophenacene","Journal of the American Chemical Society","2003","125","","2834","2835","10.1021/ja029915z","","x-ray","0.71073","MoKα","","0.2426","0.1447","","","0.3653","0.4266","","","","","","1.265","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113554","27.433","0.003","27.439","0.005","10.784","0.004","90","","90","","120","","7030","3","123.2","","","","","","","","","","","5","R 3 :H","R 3","146","","","","- C22 H30 Ce1.33 N6 O16 -","- C22 H30 Ce1.33333 N10 O28 -","- C198 H270 Ce12 N90 O252 -","9","1","","Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi","Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes","Journal of the American Chemical Society","2003","125","","2989","2996","10.1021/ja028698z","","","0.7107","MoKα","","","0.0386","","","","0.169","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113555","14.4358","0.0001","16.471","0.0001","17.1521","0.0001","105.037","0.001","102.066","0.001","95.026","0.001","3807.94","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H56 O4 Si2 -","- C39 H56 O4 Si2 -","- C156 H224 O16 Si8 -","4","2","","Hui Cao; Judith Flippen-Anderson; James M. Cook","The Synthesis of a Dicyclopenta[a,e]pentalene via a Molybdenum Hexacarbonyl-Mediated Tandem Allenic Pauson-Khand Reaction1","Journal of the American Chemical Society","2003","125","","3230","3231","10.1021/ja021159+","","","1.54178","CuKα","","0.0735","0.0657","","","0.1948","0.2078","","","","","","0.892","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113556","14.8936","0.0001","19.1116","0.0001","16.228","0.0001","90","","111.94","","90","","4284.61","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 O5 Si2 -","- C41.99 H56 O5 Si2 -","- C167.96 H224 O20 Si8 -","4","1","","Hui Cao; Judith Flippen-Anderson; James M. Cook","The Synthesis of a Dicyclopenta[a,e]pentalene via a Molybdenum Hexacarbonyl-Mediated Tandem Allenic Pauson-Khand Reaction1","Journal of the American Chemical Society","2003","125","","3230","3231","10.1021/ja021159+","","","0.71073","MoKα","","0.0647","0.0628","","","0.1884","0.1911","","","","","","1.086","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113557","40.376","0.004","27.904","0.002","31.186","0.002","90","","90","","90","","35136","5","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- Fe3 K9 Na0 O94.5 P2 W18 -","- Fe3 K9 O94.5 P2 W18 -","- Fe48 K144 O1512 P32 W288 -","16","1","","Nelya M. Okun; Travis M. Anderson; Craig L. Hill","[(FeIII(OH2)2)3(A-α-PW9O34)2]9- on Cationic Silica Nanoparticles, a New Type of Material and Efficient Heterogeneous Catalyst for Aerobic Oxidations","Journal of the American Chemical Society","2003","125","","3194","3195","10.1021/ja0267223","","","0.71073","MoKα","","0.0436","0.0419","","","0.0916","0.0924","","","","","","1.117","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113558","9.412","0.0006","19.545","0.0012","12.876","0.0007","90","","105.84","0.004","90","","2278.7","0.2","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Biphenyl-4-yl(2,6-dimethylphenoxy)(1-phenylethyl)silane","","- C28 H28 O Si -","- C28 H28 O Si -","- C112 H112 O4 Si4 -","4","1","","Takanobu Sanji; Hideyuki Fujiyama; Kaname Yoshida; Hideki Sakurai","Diastereoselective Addition of Alcohol to Diastereotopic Silylenes","Journal of the American Chemical Society","2003","125","","3216","3217","10.1021/ja028754w","","","0.7107","MoKα","","0.0845","0.06","","","0.1506","0.167","","","","","","1.023","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113559","7.7744","0.0008","7.9193","0.0008","19.834","0.002","87.189","0.012","83.534","0.012","61.602","0.011","1067.3","0.2","293","","","","","","","","","","","6","P -1","-P 1","2","(EDT-TTF-I2)2(Pb2/3Ag1/3I2)3","","","- C8 H4 Ag0.178 I5 Pb0.797 S6 -","- C8 Ag0.26 I5 Pb1.198 S6 -","- C16 Ag0.52 I10 Pb2.396 S12 -","2","1","","Thomas Devic; Michel Evain; Yves Moëlo; Enric Canadell; Pascale Auban-Senzier; Marc Fourmigué; Patrick Batail","Single Crystalline Commensurate Metallic Assemblages of π-slabs and CdI2-Type Layers: Synthesis and Properties of β-(EDT-TTF-I2)2[Pb5/61/6I2]3 and β-(EDT-TTF-I2)2[Pb2/3+xAg1/3-2xxI2]3, x= 0.05","Journal of the American Chemical Society","2003","125","","3295","3301","10.1021/ja0290431","","","0.71069","MoKα","","0.2059","0.0508","","","0.0997","0.1177","","","","1.7","1.7","1.25","","","","has coordinates,has Fobs","178906","2020-10-21","18:00:00",""
"4113560","7.7818","0.0008","7.976","0.0008","19.9668","0.0002","82.409","0.012","85.964","0.012","61.621","0.011","1080.76","0.19","293","","","","","","","","","","","5","P -1","-P 1","2","(EDT-TTF-I2)2(Pb5/6I2)3","","","- C8 H4 I5 Pb1.25 S6 -","- C8 H4 I5 Pb1.325 S6 -","- C16 H8 I10 Pb2.65 S12 -","2","1","","Thomas Devic; Michel Evain; Yves Moëlo; Enric Canadell; Pascale Auban-Senzier; Marc Fourmigué; Patrick Batail","Single Crystalline Commensurate Metallic Assemblages of π-slabs and CdI2-Type Layers: Synthesis and Properties of β-(EDT-TTF-I2)2[Pb5/61/6I2]3 and β-(EDT-TTF-I2)2[Pb2/3+xAg1/3-2xxI2]3, x= 0.05","Journal of the American Chemical Society","2003","125","","3295","3301","10.1021/ja0290431","","","0.71069","MoKα","","0.0814","0.0459","","","0.0947","0.0996","","","","1.55","1.55","1.26","","","","has coordinates,has Fobs","178906","2020-10-21","18:00:00",""
"4113561","10.424","0.003","21.503","0.006","19.484","0.005","90","","94.67","0.01","90","","4353","2","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Ru(Cp*)(PEt3)2(h2-CHCH)][BPh4]","(penta-hapto-pentamethylcyclopentadienyl)-bis(triethylphosphino)- (di-hapto-alkyne)-ruthenium tetraphenylborate","","- C48 H67 B P2 Ru -","- C48 H67 B P2 Ru -","- C192 H268 B4 P8 Ru4 -","4","1","","Emilio Bustelo; Jorge J. Carbó; Agustí Lledós; Kurt Mereiter; M. Carmen Puerta; Pedro Valerga","First X-ray Characterization and Theoretical Study of π-Alkyne, Alkynyl-Hydride, and Vinylidene Isomers for the Same Transition Metal Fragment [Cp*Ru(PEt3)2]+","Journal of the American Chemical Society","2003","125","","3311","3321","10.1021/ja0291181","","","0.71073","MoKα","","0.0635","0.0477","","","0.1211","0.1325","","","","","","1.07","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113562","13.604","0.002","16.518","0.003","19.219","0.003","90","","90","","90","","4318.7","1.2","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Ru(Cp*)(PEt3)2(H)(kappa1-CCH)]BPh4","(penta-hapto-pentamethylcyclopentadienyl)-bis(triethylphosphino)- alkynyl-hydride-ruthenium tetraphenylborate","","- C48 H67 B P2 Ru -","- C48 H67 B P2.087 Ru1.053 -","- C192 H268 B4 P8.348 Ru4.212 -","4","1","","Emilio Bustelo; Jorge J. Carbó; Agustí Lledós; Kurt Mereiter; M. Carmen Puerta; Pedro Valerga","First X-ray Characterization and Theoretical Study of π-Alkyne, Alkynyl-Hydride, and Vinylidene Isomers for the Same Transition Metal Fragment [Cp*Ru(PEt3)2]+","Journal of the American Chemical Society","2003","125","","3311","3321","10.1021/ja0291181","","","0.71073","MoKα","","0.052","0.0432","","","0.1046","0.1115","","","","","","1.091","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113563","13.5677","0.0007","17.2811","0.0008","19.0256","0.0009","90","","90","","90","","4460.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Cp*Ru(PEt3)2(=C=CH2)][BPh4]","(penta-hapto-pentamethylcyclopentadienyl)-bis(triethylphosphino)- (vinylidene)-ruthenium tetraphenylborate","","- C48 H67 B P2 Ru -","- C48 H67 B P2 Ru -","- C192 H268 B4 P8 Ru4 -","4","1","","Emilio Bustelo; Jorge J. Carbó; Agustí Lledós; Kurt Mereiter; M. Carmen Puerta; Pedro Valerga","First X-ray Characterization and Theoretical Study of π-Alkyne, Alkynyl-Hydride, and Vinylidene Isomers for the Same Transition Metal Fragment [Cp*Ru(PEt3)2]+","Journal of the American Chemical Society","2003","125","","3311","3321","10.1021/ja0291181","","","0.71073","MoKα","","0.0678","0.064","","","0.1314","0.1333","","","","","","1.034","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113564","16.367","0.003","16.006","0.005","17.669","0.003","90","","95.129","0.017","90","","4610.2","1.8","293","2","17","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cp*Ru(PEt3)2(CCCOOMe)][BPh4]","(penta-hapto-pentamethylcyclopentadienyl)-bis(triethylphosphino)- (carboxymethyl-vinylidene)-ruthenium tetraphenylborate","","- C50 H69 B O2 P2 Ru -","- C50 H69 B O2 P2 Ru -","- C200 H276 B4 O8 P8 Ru4 -","4","1","","Emilio Bustelo; Jorge J. Carbó; Agustí Lledós; Kurt Mereiter; M. Carmen Puerta; Pedro Valerga","First X-ray Characterization and Theoretical Study of π-Alkyne, Alkynyl-Hydride, and Vinylidene Isomers for the Same Transition Metal Fragment [Cp*Ru(PEt3)2]+","Journal of the American Chemical Society","2003","125","","3311","3321","10.1021/ja0291181","","","0.71069","MoKα","","0.1216","0.0586","","","0.1529","0.1806","","","","","","1.081","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113565","24.237","0.001","9.791","0.001","24.416","0.001","90","","94.729","0.002","90","","5774.3","0.7","366","2","366","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H81 Cl3 O2 P2 Pt S2 -","- C57 H81 Cl3 O2 P2 Pt S2 -","- C228 H324 Cl12 O8 P8 Pt4 S8 -","4","1","","Terence L. Schull; James G. Kushmerick; Charles H. Patterson; Clifford George; Martin H. Moore; Steven K. Pollack; Ranganathan Shashidhar","Ligand Effects on Charge Transport in Platinum(II) Acetylides","Journal of the American Chemical Society","2003","125","","3202","3203","10.1021/ja029564o","","","0.71073","MoKα","","0.0799","0.0586","","","0.0993","0.104","","","","","","1.191","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113566","11.535","0.001","11.367","0.001","17.759","0.001","90","","95.8","0.001","90","","2316.6","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H68 O2 P2 Pt S2 -","- C44 H68 O2 P2 Pt S2 -","- C88 H136 O4 P4 Pt2 S4 -","2","1","","Terence L. Schull; James G. Kushmerick; Charles H. Patterson; Clifford George; Martin H. Moore; Steven K. Pollack; Ranganathan Shashidhar","Ligand Effects on Charge Transport in Platinum(II) Acetylides","Journal of the American Chemical Society","2003","125","","3202","3203","10.1021/ja029564o","","","0.71073","MoKα","","0.0681","0.0329","","","0.0686","0.0787","","","","","","0.925","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113567","15.518","0.001","8.485","0.001","22.144","0.002","90","","110.189","0.001","90","","2736.6","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H46 Cl6 O2 P2 Pt S2 -","- C58 H46 Cl6 O2 P2 Pt S2 -","- C116 H92 Cl12 O4 P4 Pt2 S4 -","2","0.5","","Terence L. Schull; James G. Kushmerick; Charles H. Patterson; Clifford George; Martin H. Moore; Steven K. Pollack; Ranganathan Shashidhar","Ligand Effects on Charge Transport in Platinum(II) Acetylides","Journal of the American Chemical Society","2003","125","","3202","3203","10.1021/ja029564o","","","0.71073","MoKα","","0.0499","0.0291","","","0.0661","0.0711","","","","","","0.994","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113568","10.198","0.002","10.455","0.002","14.959","0.003","85.14","0.01","82.97","0.01","63.31","0.01","1413.5","0.5","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C57 H45 Cl3 O8 P2 Pt S2 -","- C57 H45 Cl3 O8 P2 Pt S2 -","- C57 H45 Cl3 O8 P2 Pt S2 -","1","1","","Terence L. Schull; James G. Kushmerick; Charles H. Patterson; Clifford George; Martin H. Moore; Steven K. Pollack; Ranganathan Shashidhar","Ligand Effects on Charge Transport in Platinum(II) Acetylides","Journal of the American Chemical Society","2003","125","","3202","3203","10.1021/ja029564o","","","1.54178","CuKα","","0.056","0.051","","","0.1283","0.1327","","","","","","1.014","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113569","4.7719","0.0012","12.98","0.003","27.034","0.006","90","","90","","90","","1674.5","0.7","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 N2 O3 -","- C17 H24 N2 O3 -","- C68 H96 N8 O12 -","4","1","","Janez Košmrlj; Leland O. Weigel; David A. Evans; C. Wade Downey; Jimmy Wu","Unfunctionalized, α-Epimerizable Nonracemic Ketones and Aldehydes Can Be Accessed by Crystallization-Induced Dynamic Resolution of Imines","Journal of the American Chemical Society","2003","125","","3208","3209","10.1021/ja029715n","","","0.71073","MoKα","","0.1185","0.0902","","","0.1911","0.2093","","","","","","1.069","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113570","13.114","0.004","37.253","0.011","12.614","0.004","90","","107.251","0.005","90","","5885","3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DippH2GeGeDippPMe3.0.5n-hexane","","","- C66 H89 Ge2 P -","- C66 H89 Ge2 P -","- C264 H356 Ge8 P4 -","4","1","","Anne F. Richards; Andrew D. Phillips; Marilyn M. Olmstead; Philip P. Power","Isomeric Forms of Divalent Heavier Group 14 Element Hydrides: Characterization of Ar'(H)GeGe(H)Ar' and Ar'(H)2GeGeAr'.PMe3 (Ar' = C6H3-2,6-Dipp2; Dipp = C6H3-2,6-Pri2)","Journal of the American Chemical Society","2003","125","","3204","3205","10.1021/ja029772g","","","0.71073","MoKα","","0.074","0.0595","","","0.1377","0.1434","","","","","","1.117","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113571","18.3776","0.0017","17.7496","0.0017","13.0929","0.0012","90","","117.432","0.002","90","","3790.6","0.6","90","2","90","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","(Dipp*GeH)~2~^.^4C~4~H~10~O","","","- C76 H116 Ge2 O4 -","- C60 H76 Ge2 -","- C120 H152 Ge4 -","2","0.25","","Anne F. Richards; Andrew D. Phillips; Marilyn M. Olmstead; Philip P. Power","Isomeric Forms of Divalent Heavier Group 14 Element Hydrides: Characterization of Ar'(H)GeGe(H)Ar' and Ar'(H)2GeGeAr'.PMe3 (Ar' = C6H3-2,6-Dipp2; Dipp = C6H3-2,6-Pri2)","Journal of the American Chemical Society","2003","125","","3204","3205","10.1021/ja029772g","","","0.71073","MoKα","","0.0559","0.0495","","","0.1355","0.1398","","","","","","1.076","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113572","17.1078","0.0003","20.5553","0.0004","23.1162","0.0005","90","","90","","90","","8128.9","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H64 P2 Pd Si -","- C44 H63 P2 Pd Si -","- C352 H504 P16 Pd8 Si8 -","8","2","","Robert C. Boyle; Joel T. Mague; Mark J. Fink","The First Stable Mononuclear Silyl Palladium Hydrides","Journal of the American Chemical Society","2003","125","","3228","3229","10.1021/ja029853c","","","0.71073","MoKα","","0.1467","0.0859","","","0.1775","0.2087","","","","","","1.049","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113573","3.9983","0.0003","11.1403","0.0007","12.1514","0.0009","90","","98.977","0.006","90","","534.62","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Br O4 -","- C11 H9 Br O4 -","- C22 H18 Br2 O8 -","2","1","","D. K. Barma; Abhijit Kundu; Hongming Zhang; Charles Mioskowski; J. R. Falck","(Z)-α-Haloacrylates: An Exceptionally Stereoselective Preparation via Cr(II)-Mediated Olefination of Aldehydes with Trihaloacetates","Journal of the American Chemical Society","2003","125","","3218","3219","10.1021/ja029938d","","","0.71073","MoKα","","0.05","0.038","","","0.087","0.091","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113574","3.8998","0.0003","11.1155","0.0007","11.977","0.0009","90","","97.46","0.005","90","","514.79","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Cl O4 -","- C11 H9 Cl O4 -","- C22 H18 Cl2 O8 -","2","1","","D. K. Barma; Abhijit Kundu; Hongming Zhang; Charles Mioskowski; J. R. Falck","(Z)-α-Haloacrylates: An Exceptionally Stereoselective Preparation via Cr(II)-Mediated Olefination of Aldehydes with Trihaloacetates","Journal of the American Chemical Society","2003","125","","3218","3219","10.1021/ja029938d","","","0.71073","MoKα","","0.039","0.033","","","0.087","0.09","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113575","11.8429","0.0005","11.8526","0.0005","23.3824","0.0005","86.68","0.05","76.24","0.05","79.36","0.05","3132.8","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H84 N6 P2 Si6 Ta2 -","- C56 H80 N6 P2 Si6 Ta2 -","- C112 H160 N12 P4 Si12 Ta4 -","2","1","","Michael D. Fryzuk; Bruce A. MacKay; Brian O. Patrick","Hydrosilylation of a Dinuclear Tantalum Dinitrogen Complex: Cleavage of N2 and Functionalization of Both Nitrogen Atoms","Journal of the American Chemical Society","2003","125","","3234","3235","10.1021/ja034303f","","","0.71073","MoKα","","0.0981","0.0748","","","0.1992","0.2144","","","","","","1.067","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113576","27.6","0.006","17.262","0.004","14.701","0.003","90","","90","","90","","7004","3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C52 H76 N6 P2 Si5 Ta2 -","- C52 H71 N6 P2 Si5 Ta2 -","- C208 H284 N24 P8 Si20 Ta8 -","4","1","","Michael D. Fryzuk; Bruce A. MacKay; Brian O. Patrick","Hydrosilylation of a Dinuclear Tantalum Dinitrogen Complex: Cleavage of N2 and Functionalization of Both Nitrogen Atoms","Journal of the American Chemical Society","2003","125","","3234","3235","10.1021/ja034303f","","","0.71069","MoKα","","0.0806","0.0566","","","0.1353","0.1462","","","","","","0.983","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113577","7.43","0.001","29.662","0.001","9.374","0.001","90","","112.34","0.01","90","","1910.9","0.4","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 O8 P2 Pt S2 -","- C32 H44 O8 P2 Pt S2 -","- C64 H88 O16 P4 Pt2 S4 -","2","0.5","","Terence L. Schull; James G. Kushmerick; Charles H. Patterson; Clifford George; Martin H. Moore; Steven K. Pollack; Ranganathan Shashidhar","Ligand Effects on Charge Transport in Platinum(II) Acetylides","Journal of the American Chemical Society","2003","125","","3202","3203","10.1021/ja029564o","","","1.54178","CuKα","","0.0384","0.029","","","0.0737","0.0797","","","","","","1.028","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113578","19.136","0.003","19.136","0.003","25.373","0.005","90","","90","","120","","8046","2","223","2","223","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H74 I4 O11 Sr3 -","- C36 H74 I4 O11 Sr3 -","- C216 H444 I24 O66 Sr18 -","6","0.333333","","Katharina M. Fromm; Estelle D. Gueneau; Gerald Bernardinelli; Helmut Goesmann; J. Weber; M.-J. Mayor-López; P. Boulet; H. Chermette","Understanding the Formation of New Clusters of Alkali and Alkaline Earth Metals: A New Synthetic Approach, Single-Crystal Structures, and Theoretical Calculations","Journal of the American Chemical Society","2003","125","","3593","3604","10.1021/ja0205737","","","0.71073","MoKα","","0.206","0.1631","","","0.4797","0.5294","","","","","","4.533","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113579","15.5078","0.001","15.5078","0.001","10.1836","0.0007","90","","90","","90","","2449.1","0.3","200","2","200","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C32 H68 I Li4 O8 Sr -","- C34 H I Li4 O11 Sr -","- C68 H2 I2 Li8 O22 Sr2 -","2","0.25","","Katharina M. Fromm; Estelle D. Gueneau; Gerald Bernardinelli; Helmut Goesmann; J. Weber; M.-J. Mayor-López; P. Boulet; H. Chermette","Understanding the Formation of New Clusters of Alkali and Alkaline Earth Metals: A New Synthetic Approach, Single-Crystal Structures, and Theoretical Calculations","Journal of the American Chemical Society","2003","125","","3593","3604","10.1021/ja0205737","","","0.71073","MoKα","","0.1008","0.0679","","","0.1884","0.213","","","","","","0.816","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113580","9.291","0.006","10.469","0.007","13.489","0.008","90","","90","","90","","1312","1.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H9 N O4 -","- C5 H9 N O4 -","- C40 H72 N8 O32 -","8","1","","Leif Häggman; Cecilia Lindblad; Hans Oskarsson; Ann-Sofi Ullström; Ingmar Persson","The Influence of Short Strong Hydrogen Bonding on the Structure and the Physicochemical Properties of Alkyl-N-iminodiacetic Acids in Solid State and Aqueous Systems","Journal of the American Chemical Society","2003","125","","3631","3641","10.1021/ja021012i","","","0.71073","MoKα","","0.0996","0.0614","","","0.1286","0.1421","","","","","","1.022","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113581","8.412","0.002","9.589","0.002","28.063","0.007","90","","90","","90","","2263.6","0.9","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H19 N O4 -","- C10 H19 N O4 -","- C80 H152 N8 O32 -","8","1","","Leif Häggman; Cecilia Lindblad; Hans Oskarsson; Ann-Sofi Ullström; Ingmar Persson","The Influence of Short Strong Hydrogen Bonding on the Structure and the Physicochemical Properties of Alkyl-N-iminodiacetic Acids in Solid State and Aqueous Systems","Journal of the American Chemical Society","2003","125","","3631","3641","10.1021/ja021012i","","","0.71073","MoKα","","0.1039","0.0514","","","0.1006","0.1152","","","","","","1.022","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113582","8.3774","0.0017","9.7376","0.0019","41.525","0.008","90","","90","","90","","3387.4","1.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H31 N O4 -","- C16 H31 N O4 -","- C128 H248 N8 O32 -","8","1","","Leif Häggman; Cecilia Lindblad; Hans Oskarsson; Ann-Sofi Ullström; Ingmar Persson","The Influence of Short Strong Hydrogen Bonding on the Structure and the Physicochemical Properties of Alkyl-N-iminodiacetic Acids in Solid State and Aqueous Systems","Journal of the American Chemical Society","2003","125","","3631","3641","10.1021/ja021012i","","","0.71073","MoKα","","0.1307","0.0601","","","0.113","0.1299","","","","","","0.933","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113583","5.5253","0.0015","7.169","0.002","10.823","0.003","81.321","0.005","88.518","0.005","76.042","0.005","411.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H19 Cl N2 O12 -","- C10 H19 Cl N2 O12 -","- C10 H19 Cl N2 O12 -","1","0.5","","Leif Häggman; Cecilia Lindblad; Hans Oskarsson; Ann-Sofi Ullström; Ingmar Persson","The Influence of Short Strong Hydrogen Bonding on the Structure and the Physicochemical Properties of Alkyl-N-iminodiacetic Acids in Solid State and Aqueous Systems","Journal of the American Chemical Society","2003","125","","3631","3641","10.1021/ja021012i","","","0.71073","MoKα","","0.1079","0.0676","","","0.1781","0.193","","","","","","0.932","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113584","15.2645","0.0006","22.0533","0.0009","22.2281","0.0009","109.363","0.001","93.65","0.001","96.674","0.001","6969.8","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H74 Cl40 Mn12 O49 P2 -","- C83.7 H59.71 Cl39.9951 Mn12 O47.61 P2 -","- C167.4 H119.42 Cl79.9902 Mn24 O95.22 P4 -","2","1","","Monica Soler; Wolfgang Wernsdorfer; Khalil A. Abboud; John C. Huffman; Ernest R. Davidson; David N. Hendrickson; George Christou","Single-Molecule Magnets: Two-Electron Reduced Version of a Mn12 Complex and Environmental Influences on the Magnetization Relaxation of (PPh4)2[Mn12O12(O2CCHCl2)16(H2O)4]","Journal of the American Chemical Society","2003","125","","3576","3588","10.1021/ja021066s","","","0.71073","MoKα","","0.058","0.0449","","","0.1109","0.1215","","","","","","1.007","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113585","15.373","0.008","22.127","0.011","22.273","0.012","108.768","0.012","93.808","0.011","97.151","0.012","7072","6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H74 Cl40 Mn12 O49 P2 -","- C82.5 H46 Cl39.3 Mn12 O48.5 P2 -","- C165 H92 Cl78.6 Mn24 O97 P4 -","2","1","","Monica Soler; Wolfgang Wernsdorfer; Khalil A. Abboud; John C. Huffman; Ernest R. Davidson; David N. Hendrickson; George Christou","Single-Molecule Magnets: Two-Electron Reduced Version of a Mn12 Complex and Environmental Influences on the Magnetization Relaxation of (PPh4)2[Mn12O12(O2CCHCl2)16(H2O)4]","Journal of the American Chemical Society","2003","125","","3576","3588","10.1021/ja021066s","","","0.71073","MoKα","","","0.0673","","","","0.0669","","","","","","1.3134","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113586","18.713","0.002","14.8714","0.0008","27.042","0.002","90","","97.767","0.002","90","","7456.4","1","193","2","193","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C86 H76 Cl44 Mn12 O48 P2 -","- C85 H70 Cl41 Mn12 O48 P2 -","- C170 H140 Cl82 Mn24 O96 P4 -","2","0.5","","Monica Soler; Wolfgang Wernsdorfer; Khalil A. Abboud; John C. Huffman; Ernest R. Davidson; David N. Hendrickson; George Christou","Single-Molecule Magnets: Two-Electron Reduced Version of a Mn12 Complex and Environmental Influences on the Magnetization Relaxation of (PPh4)2[Mn12O12(O2CCHCl2)16(H2O)4]","Journal of the American Chemical Society","2003","125","","3576","3588","10.1021/ja021066s","","","0.71073","MoKα","","0.1364","0.0623","","","0.1614","0.1804","","","","","","0.992","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113587","11.419","0.002","16.813","0.003","21.128","0.004","90","","101.13","0.03","90","","3980","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H60 F K O6 Si6 -","- C24 H60 F K O6 Si6 -","- C96 H240 F4 K4 O24 Si24 -","4","1","","Roland Fischer; Judith Baumgartner; Guido Kickelbick; Christoph Marschner","The First Stable β-Fluorosilylanion","Journal of the American Chemical Society","2003","125","","3414","3415","10.1021/ja0291639","","","0.71073","MoKα","","0.1052","0.0588","","","0.1254","0.144","","","","","","1.028","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113588","16.624","0.003","10.239","0.002","18.645","0.004","90","","90","","90","","3173.6","1.1","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C26 H46 Si6 -","- C26 H46 Si6 -","- C104 H184 Si24 -","4","1","","Roland Fischer; Judith Baumgartner; Guido Kickelbick; Christoph Marschner","The First Stable β-Fluorosilylanion","Journal of the American Chemical Society","2003","125","","3414","3415","10.1021/ja0291639","","","0.71073","MoKα","","0.0588","0.0532","","","0.1168","0.1212","","","","","","1.037","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113589","46.711","0.002","18.829","0.002","30.085","0.002","90","","96.79","0.02","90","","26275","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C119.6 H134.7 Cl1.1 N16 O26.6 -","- C119.6 H114 Cl1.1 N16 O26.6 -","- C956.8 H912 Cl8.8 N128 O212.8 -","8","1","","Hua Jiang; Jean-Michel Léger; Ivan Huc","Aromatic δ-Peptides","Journal of the American Chemical Society","2003","125","","3448","3449","10.1021/ja029887k","","","0.71073","MoKα","","0.241","0.1373","","0.513","0.3791","","","","0.997","1.111","1.111","","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113590","23.5863","0.0017","15.7557","0.0011","10.2636","0.0007","90","","91.551","0.001","90","","3812.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 Cl3 N5 O4 Pt -","- C33 H48 Cl3 N5 O4 Pt -","- C132 H192 Cl12 N20 O16 Pt4 -","4","1","","Hershel Jude; Jeanette A. Krause Bauer; William B. Connick","An Outer-Sphere Two-Electron Platinum Reagent","Journal of the American Chemical Society","2003","125","","3446","3447","10.1021/ja034003y","","","0.71073","MoKα","","0.0644","0.0527","","","0.1405","0.146","","","","","","1.125","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113591","11.095","0.002","7.211","0.001","13.267","0.002","90","","101.47","0.01","90","","1040.2","0.3","293","2","293","2","","","","","","","see paper","5","P 1 21 1","P 2yb","4","","(E)-(2R,3R,4S)-1-((R)-10,10-Dimethyl-3,3-dioxo-3-thia-4-aza- tricyclo[5.2.1]dec-4-yl)-3-hydroxy-2,4-dimethyl-oct-6-en-1-one","","- C20 H33 N O4 S -","- C20 H33 N O4 S -","- C40 H66 N2 O8 S2 -","2","1","","Richard Sedrani; Jörg Kallen; Luisa M. Martin Cabrejas; Charles D. Papageorgiou; Francesco Senia; Stefan Rohrbach; Dieter Wagner; Binh Thai; Anne-Marie Jutzi Eme; Julien France; Lukas Oberer; Grety Rihs; Gerhard Zenke; Jürgen Wagner","Sanglifehrin-Cyclophilin Interaction: Degradation Work, Synthetic Macrocyclic Analogues, X-ray Crystal Structure, and Binding Data","Journal of the American Chemical Society","2003","125","","3849","3859","10.1021/ja021327y","","","1.54178","CuKα","","0.098","0.0796","","","0.1974","0.2221","","","","","","1.113","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113592","15.4332","0.0008","15.4332","0.0008","44.421","0.005","90","","90","","120","","9162.9","1.2","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C51 H75 B2 Fe3 Mo N6 P3 S4 -","- C51.02 H74.02 B2 Fe3 Mo N6 P3 S4 -","- C306.12 H444.12 B12 Fe18 Mo6 N36 P18 S24 -","6","0.333333","","Yugen Zhang; R. H. Holm","Synthesis of a Molecular Mo2Fe6S9 Cluster with the Topology of the PN Cluster of Nitrogenase by Rearrangement of an Edge-Bridged Mo2Fe6S8 Double Cubane","Journal of the American Chemical Society","2003","125","","3910","3920","10.1021/ja0214633","","","0.71073","MoKα","","0.0796","0.0657","","","0.19","0.206","","","","","","1.094","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113593","9.3437","0.0009","34.761","0.003","12.0052","0.0011","90","","91.266","0.002","90","","3898.3","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H106 B2 Fe6 Mo2 N16 S14 -","- C50 H106 B2 Fe6 Mo2 N16 S14 -","- C100 H212 B4 Fe12 Mo4 N32 S28 -","2","0.5","","Yugen Zhang; R. H. Holm","Synthesis of a Molecular Mo2Fe6S9 Cluster with the Topology of the PN Cluster of Nitrogenase by Rearrangement of an Edge-Bridged Mo2Fe6S8 Double Cubane","Journal of the American Chemical Society","2003","125","","3910","3920","10.1021/ja0214633","","","0.71073","MoKα","","0.0673","0.0334","","","0.0667","0.087","","","","","","0.873","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113594","11.2863","0.0009","25.2819","0.0018","12.832","0.0009","90","","112.743","0.001","90","","3376.8","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H80 B2 Fe6 Mo2 N12 P4 S8 -","- C42 H80 B2 Fe6 Mo2 N12 P4 S8 -","- C84 H160 B4 Fe12 Mo4 N24 P8 S16 -","2","0.5","","Yugen Zhang; R. H. Holm","Synthesis of a Molecular Mo2Fe6S9 Cluster with the Topology of the PN Cluster of Nitrogenase by Rearrangement of an Edge-Bridged Mo2Fe6S8 Double Cubane","Journal of the American Chemical Society","2003","125","","3910","3920","10.1021/ja0214633","","","0.71073","MoKα","","0.0752","0.0496","","","0.1223","0.1403","","","","","","1.063","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113595","14.5127","0.0014","14.1623","0.0013","19.4281","0.0018","90","","94.503","0.002","90","","3980.8","0.6","293","2","213","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H106 B2 Cl4 Fe6 Mo2 N18 S8 -","- C54 H106 B2 Cl4 Fe6 Mo2 N18 S8 -","- C108 H212 B4 Cl8 Fe12 Mo4 N36 S16 -","2","0.5","","Yugen Zhang; R. H. Holm","Synthesis of a Molecular Mo2Fe6S9 Cluster with the Topology of the PN Cluster of Nitrogenase by Rearrangement of an Edge-Bridged Mo2Fe6S8 Double Cubane","Journal of the American Chemical Society","2003","125","","3910","3920","10.1021/ja0214633","","","0.71073","MoKα","","0.0808","0.0635","","","0.1242","0.1311","","","","","","1.096","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113596","18.155","0.005","16.731","0.004","18.149","0.005","90","","90","","90","","5513","3","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C46 H71 B Fe3 Mo N8 S7 -","- C46 H71 B Fe3 Mo N8 S7 -","- C184 H284 B4 Fe12 Mo4 N32 S28 -","4","1","","Yugen Zhang; R. H. Holm","Synthesis of a Molecular Mo2Fe6S9 Cluster with the Topology of the PN Cluster of Nitrogenase by Rearrangement of an Edge-Bridged Mo2Fe6S8 Double Cubane","Journal of the American Chemical Society","2003","125","","3910","3920","10.1021/ja0214633","","","0.71073","MoKα","","0.0644","0.0497","","","0.0957","0.0998","","","","","","0.937","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113597","18.3853","0.0011","17.5344","0.001","29.4244","0.0016","90","","96.619","0.001","90","","9422.5","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H109 B2 Fe6 Mo2 N24 S11 -","- C60 H109 B2 Fe6 Mo2 N24 S11 -","- C240 H436 B8 Fe24 Mo8 N96 S44 -","4","1","","Yugen Zhang; R. H. Holm","Synthesis of a Molecular Mo2Fe6S9 Cluster with the Topology of the PN Cluster of Nitrogenase by Rearrangement of an Edge-Bridged Mo2Fe6S8 Double Cubane","Journal of the American Chemical Society","2003","125","","3910","3920","10.1021/ja0214633","","","0.71073","MoKα","","0.0933","0.0661","","","0.1512","0.1659","","","","","","1.14","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113598","34.136","0.008","11.871","0.003","31.277","0.007","90","","116.927","0.004","90","","11300","5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C92 H142 B2 Fe6 Mo2 N16 S14 -","- C91.5 H131.5 B2 Fe6 Mo2 N16 S14 -","- C366 H526 B8 Fe24 Mo8 N64 S56 -","4","1","","Yugen Zhang; R. H. Holm","Synthesis of a Molecular Mo2Fe6S9 Cluster with the Topology of the PN Cluster of Nitrogenase by Rearrangement of an Edge-Bridged Mo2Fe6S8 Double Cubane","Journal of the American Chemical Society","2003","125","","3910","3920","10.1021/ja0214633","","","0.71073","MoKα","","0.1599","0.1258","","","0.28","0.2954","","","","","","1.207","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113599","36.883","0.01","26.168","0.006","16.194","0.006","90","","90","","90","","15630","8","293","2","293","2","","","","","","","","8","A b a 2","A 2 -2ab","41","","","","- C46 H82 B2 Fe6 Mo2 N18.5 S7 Se3 -","- C46 H80.5 B2 Fe6 Mo2 N18.5 S7 Se3 -","- C368 H644 B16 Fe48 Mo16 N148 S56 Se24 -","8","","","Yugen Zhang; R. H. Holm","Synthesis of a Molecular Mo2Fe6S9 Cluster with the Topology of the PN Cluster of Nitrogenase by Rearrangement of an Edge-Bridged Mo2Fe6S8 Double Cubane","Journal of the American Chemical Society","2003","125","","3910","3920","10.1021/ja0214633","","","0.71073","MoKα","","0.127","0.0501","","","0.1007","0.1145","","","","","","0.791","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113600","12.027","0.001","8.872","0.001","16.347","0.002","88.582","0.006","85.189","0.008","70.862","0.007","1642.1","0.3","293","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Br1.3 Cl0.6 I1.1 S16 -","- C20 H16 Br1.3 Cl0.6 I1.1 S16 -","- C40 H32 Br2.6 Cl1.2 I2.2 S32 -","2","1","","Elena Laukhina; José Vidal-Gancedo; Vladimir Laukhin; Jaume Veciana; Igor Chuev; Vladislava Tkacheva; Klaus Wurst; Concepció Rovira","Multistability in a BEDT-TTF Based Molecular Conductor","Journal of the American Chemical Society","2003","125","","3948","3953","10.1021/ja0280123","","","0.71073","MoKα","","0.0724","0.0485","","0.156","0.128","","","","1.118","1.219","1.219","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113601","17.251","0.003","9.02","0.002","16.353","0.003","87.967","0.008","84.28","0.01","81.38","0.01","2502.8","0.8","383","2","386","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Br1.3 Cl0.6 I1.1 S16 -","- C20 H16 Br1.3 Cl0.6 I1.1 S16 -","- C60 H48 Br3.9 Cl1.8 I3.3 S48 -","3","1.5","","Elena Laukhina; José Vidal-Gancedo; Vladimir Laukhin; Jaume Veciana; Igor Chuev; Vladislava Tkacheva; Klaus Wurst; Concepció Rovira","Multistability in a BEDT-TTF Based Molecular Conductor","Journal of the American Chemical Society","2003","125","","3948","3953","10.1021/ja0280123","","","0.71073","MoKα","","0.1115","0.0583","","0.1779","0.1394","","","","1.019","1.166","1.166","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113602","5.918","0.001","9.136","0.002","16.282","0.003","92.07","0.01","96.48","0.01","105.3","0.01","841.7","0.3","396","2","398","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Br1.3 Cl0.6 I1.1 S16 -","- C20 H16 Br1.3 Cl0.6 I1.1 S16 -","- C20 H16 Br1.3 Cl0.6 I1.1 S16 -","1","0.5","","Elena Laukhina; José Vidal-Gancedo; Vladimir Laukhin; Jaume Veciana; Igor Chuev; Vladislava Tkacheva; Klaus Wurst; Concepció Rovira","Multistability in a BEDT-TTF Based Molecular Conductor","Journal of the American Chemical Society","2003","125","","3948","3953","10.1021/ja0280123","","","0.71073","MoKα","","0.0614","0.0468","","0.1309","0.1215","","","","1.057","1.115","1.115","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113603","36.88","0.02","10.837","0.007","29.681","0.018","90","","120.078","0.011","90","","10265","11","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-[5-(4-Diethylamino-phenyl)-1-pentafluorophenyl-4,5-dihydro- 1H-pyrazol-3-yl]-benzoic acid ethyl ester","","- C28 H26 F5 N3 O2 -","- C28 H26 F5 N3 O2 -","- C448 H416 F80 N48 O32 -","16","2","","Christoph J. Fahrni; Liuchun Yang; Donald G. VanDerveer","Tuning the Photoinduced Electron-Transfer Thermodynamics in 1,3,5-Triaryl-2-pyrazoline Fluorophores: X-ray Structures, Photophysical Characterization, Computational Analysis, and in Vivo Evaluation","Journal of the American Chemical Society","2003","125","","3799","3812","10.1021/ja028266o","","","0.71073","MoKα","","0.2395","0.0768","","","0.1665","0.2464","","","","","","0.931","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113604","14.108","0.003","15.876","0.004","9.978","0.002","90","","103.033","0.006","90","","2177.3","0.8","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-[5-(4-Diethylamino-phenyl)-1-phenyl-4, 5-dihydro-1H- pyrazol-3-yl]-benzonitrile","","- C26 H26 N4 -","- C26 H26 N4 -","- C104 H104 N16 -","4","1","","Christoph J. Fahrni; Liuchun Yang; Donald G. VanDerveer","Tuning the Photoinduced Electron-Transfer Thermodynamics in 1,3,5-Triaryl-2-pyrazoline Fluorophores: X-ray Structures, Photophysical Characterization, Computational Analysis, and in Vivo Evaluation","Journal of the American Chemical Society","2003","125","","3799","3812","10.1021/ja028266o","","","0.71073","MoKα","","0.1615","0.0679","","","0.1334","0.172","","","","","","0.985","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113605","11.135","0.002","19.02","0.004","11.43","0.002","90","","118.453","0.004","90","","2128.3","0.7","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-[5-(4-Diethylamino-phenyl)-3-phenyl-4,5-dihydro- pyrazol-1-yl]-benzonitrile","","- C26 H26 N4 -","- C26 H26 N4 -","- C104 H104 N16 -","4","1","","Christoph J. Fahrni; Liuchun Yang; Donald G. VanDerveer","Tuning the Photoinduced Electron-Transfer Thermodynamics in 1,3,5-Triaryl-2-pyrazoline Fluorophores: X-ray Structures, Photophysical Characterization, Computational Analysis, and in Vivo Evaluation","Journal of the American Chemical Society","2003","125","","3799","3812","10.1021/ja028266o","","","0.71073","MoKα","","0.0525","0.0358","","","0.0858","0.0957","","","","","","1.018","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113606","15.0341","0.0008","9.6076","0.0005","17.3514","0.0009","90","","114.67","0.003","90","","2277.5","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-[5-(4-Diethylamino-phenyl)-1-(4-cyano-phenyl)-4,5-dihydro- 1H-pyrazol-3-yl]-benzonitrile","","- C27 H25 N5 -","- C27 H25 N5 -","- C108 H100 N20 -","4","1","","Christoph J. Fahrni; Liuchun Yang; Donald G. VanDerveer","Tuning the Photoinduced Electron-Transfer Thermodynamics in 1,3,5-Triaryl-2-pyrazoline Fluorophores: X-ray Structures, Photophysical Characterization, Computational Analysis, and in Vivo Evaluation","Journal of the American Chemical Society","2003","125","","3799","3812","10.1021/ja028266o","","","0.71073","MoKα","","0.0619","0.0467","","","0.1123","0.1176","","","","","","0.962","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113607","6.2834","0.0012","12.271","0.002","32.551","0.006","90","","94.776","0.004","90","","2501.1","0.8","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[1-(4-Cyano-phenyl)-5-(4-diethylamino-phenyl)-4,5-dihydro- 1H-pyrazol-3-yl]-benzoic acid ethyl ester","","- C29 H30 N4 O2 -","- C29 H30 N4 O2 -","- C116 H120 N16 O8 -","4","1","","Christoph J. Fahrni; Liuchun Yang; Donald G. VanDerveer","Tuning the Photoinduced Electron-Transfer Thermodynamics in 1,3,5-Triaryl-2-pyrazoline Fluorophores: X-ray Structures, Photophysical Characterization, Computational Analysis, and in Vivo Evaluation","Journal of the American Chemical Society","2003","125","","3799","3812","10.1021/ja028266o","","","0.71073","MoKα","","0.0677","0.0453","","","0.1021","0.1137","","","","","","1.033","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113608","10.3198","0.0019","18.06","0.003","12.218","0.002","90","","91.23","0.003","90","","2276.6","0.7","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[5-(4-Diethylamino-phenyl)-3-(4-methoxy-phenyl)-4,5-dihydro- pyrazol-1-yl]-benzonitrile","","- C27 H28 N4 O -","- C27 H28 N4 O -","- C108 H112 N16 O4 -","4","1","","Christoph J. Fahrni; Liuchun Yang; Donald G. VanDerveer","Tuning the Photoinduced Electron-Transfer Thermodynamics in 1,3,5-Triaryl-2-pyrazoline Fluorophores: X-ray Structures, Photophysical Characterization, Computational Analysis, and in Vivo Evaluation","Journal of the American Chemical Society","2003","125","","3799","3812","10.1021/ja028266o","","","0.71073","MoKα","","0.0691","0.0398","","","0.0877","0.0999","","","","","","1.013","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113609","12.486","0.003","15.669","0.003","27.495","0.006","90","","94.22","0.03","90","","5365","2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H52 F6 Ir O P2 Sb -","- C62 H52 F6 Ir O P2 Sb -","- C248 H208 F24 Ir4 O4 P8 Sb4 -","4","1","","Xingwei Li; Christopher D. Incarvito; Robert H. Crabtree","A Rare η2-Butadienyl Complex from an Alkyne Double Insertion with Double Vinylidene Rearrangement","Journal of the American Chemical Society","2003","125","","3698","3699","10.1021/ja0297281","","","0.71073","MoKα","","0.0901","0.0403","","","0.0694","0.0823","","","","","","0.945","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113610","14.507","0.003","18.091","0.004","20.457","0.004","90","","90.48","0.03","90","","5368.7","1.9","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H52 F6 Ir O P2 Sb -","- C62 H52 F6 Ir O P2 Sb -","- C248 H208 F24 Ir4 O4 P8 Sb4 -","4","1","","Xingwei Li; Christopher D. Incarvito; Robert H. Crabtree","A Rare η2-Butadienyl Complex from an Alkyne Double Insertion with Double Vinylidene Rearrangement","Journal of the American Chemical Society","2003","125","","3698","3699","10.1021/ja0297281","","","0.71073","MoKα","","0.0746","0.0414","","","0.0928","0.1042","","","","","","1.083","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113611","5.7624","0.0009","12.2485","0.0019","22.486","0.004","90","","90","","90","","1587.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 S2 -","- C16 H20 N2 S2 -","- C64 H80 N8 S8 -","4","1","","Narendra B. Ambhaikar; James P. Snyder; Dennis C. Liotta","Diastereoselective Addition of Chlorotitanium Enolate of N-Acyl Thiazolidinethione to O-Methyl Oximes: A Novel, Stereoselective Synthesis of α,β-Disubstituted β-Amino Carbonyl Compounds via Chiral Auxiliary Mediated Azetine Formation","Journal of the American Chemical Society","2003","125","","3690","3691","10.1021/ja029871u","","","0.71073","MoKα","","0.0383","0.0365","","","0.0911","0.0924","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113612","9.9797","0.0002","19.9201","0.0004","21.9977","0.0005","90","","90","","90","","4373.07","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 N2 O2 S2 -","- C23 H26 N2 O2 S2 -","- C184 H208 N16 O16 S16 -","8","2","","Narendra B. Ambhaikar; James P. Snyder; Dennis C. Liotta","Diastereoselective Addition of Chlorotitanium Enolate of N-Acyl Thiazolidinethione to O-Methyl Oximes: A Novel, Stereoselective Synthesis of α,β-Disubstituted β-Amino Carbonyl Compounds via Chiral Auxiliary Mediated Azetine Formation","Journal of the American Chemical Society","2003","125","","3690","3691","10.1021/ja029871u","","","1.54178","CuKα","","0.0325","0.0294","","","0.0704","0.0716","","","","","","1.035","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113613","16.7859","0.0001","19.0409","0.0002","22.9624","0.0002","90","","100.215","0.0005","90","","7222.87","0.11","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 N3 O5 Re -","- C44 H36 N3 O5 Re -","- C352 H288 N24 O40 Re8 -","8","1","","Eva Hevia; Julio Pérez; Víctor Riera; Daniel Miguel; Pablo Campomanes; M. Isabel Menéndez; Tomás L. Sordo; Santiago García-Granda","Synthesis of β-Lactams from a N-Rhenaimine: Effect of the Transition Metal on the Energetic Profile of the Staudinger Reaction","Journal of the American Chemical Society","2003","125","","3706","3707","10.1021/ja034070s","","","1.5418","CuKα","","0.0483","0.0402","","","0.107","0.11","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113614","18.105","0.003","18.621","0.003","20.437","0.003","90","","112.005","0.002","90","","6388.1","1.8","238","2","238","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 Hf N O -","- C37 H39 Hf N O -","- C296 H312 Hf8 N8 O8 -","8","2","","Thomas R. Boussie; Gary M. Diamond; Christopher Goh; Keith A. Hall; Anne M. LaPointe; Margarete Leclerc; Cheryl Lund; Vince Murphy; James A. W. Shoemaker; Ursula Tracht; Howard Turner; Jessica Zhang; Tetsuo Uno; Robert K. Rosen; James C. Stevens","A Fully Integrated High-Throughput Screening Methodology for the Discovery of New Polyolefin Catalysts: Discovery of a New Class of High Temperature Single-Site Group (IV) Copolymerization Catalysts","Journal of the American Chemical Society","2003","125","","4306","4317","10.1021/ja020868k","","","0.71073","MoKα","","0.047","0.0287","","","0.065","0.0715","","","","","","1.046","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113615","11.0193","0.0007","11.2042","0.0007","17.2591","0.0012","79.092","0.001","84.314","0.001","66.605","0.001","1919.7","0.2","183","2","183","2","","","","","","","","4","P -1","-P 1","2","Nb(H)(tBu(H)C=NAr)(N[Np]Ar)2","","","- C39 H60 N3 Nb -","- C39 H60 N3 Nb -","- C78 H120 N6 Nb2 -","2","1","","Joshua S. Figueroa; Christopher C. Cummins","The Niobaziridine-Hydride Functional Group: Synthesis and Divergent Reactivity","Journal of the American Chemical Society","2003","125","","4020","4021","10.1021/ja028446y","","","0.71073","MoKα","","0.0418","0.0403","","","0.1076","0.1092","","","","","","1.042","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113616","19.7802","0.0018","12.6057","0.0011","31.987","0.003","90","","99.542","0.002","90","","7865.4","1.2","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Nb(O)(N[Np]Ar)3","","","- C39 H60 N3 Nb O -","- C39 H60 N3 Nb O -","- C312 H480 N24 Nb8 O8 -","8","1","","Joshua S. Figueroa; Christopher C. Cummins","The Niobaziridine-Hydride Functional Group: Synthesis and Divergent Reactivity","Journal of the American Chemical Society","2003","125","","4020","4021","10.1021/ja028446y","","","0.71073","MoKα","","0.055","0.045","","","0.1396","0.1458","","","","","","1.07","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113617","11.0383","0.0009","10.6757","0.0009","33.434","0.003","90","","90","0.002","90","","3939.9","0.6","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nb(S)(N[Np]Ar)3","","","- C39 H60 N3 Nb S -","- C39 H60 N3 Nb S -","- C156 H240 N12 Nb4 S4 -","4","1","","Joshua S. Figueroa; Christopher C. Cummins","The Niobaziridine-Hydride Functional Group: Synthesis and Divergent Reactivity","Journal of the American Chemical Society","2003","125","","4020","4021","10.1021/ja028446y","","","0.71073","MoKα","","0.0641","0.0624","","","0.2329","0.2339","","","","","","1.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113618","11.1454","0.0008","10.6072","0.0008","33.26","0.003","90","","90","0.001","90","","3932","0.5","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nb(Se)(N[Np]Ar)3","","","- C39 H60 N3 Nb Se -","- C39 H60 N3 Nb Se -","- C156 H240 N12 Nb4 Se4 -","4","1","","Joshua S. Figueroa; Christopher C. Cummins","The Niobaziridine-Hydride Functional Group: Synthesis and Divergent Reactivity","Journal of the American Chemical Society","2003","125","","4020","4021","10.1021/ja028446y","","","0.71073","MoKα","","0.0655","0.0651","","","0.1322","0.1323","","","","","","1.387","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113619","11.4215","0.0005","10.5624","0.0005","33.1624","0.0016","90","","90.044","0.001","90","","4000.7","0.3","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Te)Nb(N[Np]Ar)3","","","- C39 H60 N3 Nb Te -","- C39 H60 N3 Nb Te -","- C156 H240 N12 Nb4 Te4 -","4","1","","Joshua S. Figueroa; Christopher C. Cummins","The Niobaziridine-Hydride Functional Group: Synthesis and Divergent Reactivity","Journal of the American Chemical Society","2003","125","","4020","4021","10.1021/ja028446y","","","0.71073","MoKα","","0.0553","0.0464","","","0.0907","0.0941","","","","","","1.117","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113620","12.011","0.005","12.111","0.008","29.97","0.012","84.99","0.03","88.69","0.04","61.05","0.05","3799","4","188","2","188","2","","","","","","","","8","P -1","-P 1","2","(Ar[Np]N)3Nb(mu-P)Mo(N[iPr]Ar)3","","","- C75 H117 Mo N6 Nb O0.5 P Si -","- C75 H117 Mo N6 Nb O0.5 P Si -","- C150 H234 Mo2 N12 Nb2 O P2 Si2 -","2","1","","Joshua S. Figueroa; Christopher C. Cummins","The Niobaziridine-Hydride Functional Group: Synthesis and Divergent Reactivity","Journal of the American Chemical Society","2003","125","","4020","4021","10.1021/ja028446y","","","0.71073","MoKα","","0.0501","0.0392","","","0.0951","0.1028","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113621","13.931","0.002","16.519","0.003","34.582","0.005","90","","92.088","0.003","90","","7953","2","188","2","188","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(mu-2:eta-2,eta-2-P2)[Nb(N[Np]Ar)2]2","","","- C78 H120 N6 Nb2 P2 -","- C78 H120 N6 Nb2 P2 -","- C312 H480 N24 Nb8 P8 -","4","1","","Joshua S. Figueroa; Christopher C. Cummins","The Niobaziridine-Hydride Functional Group: Synthesis and Divergent Reactivity","Journal of the American Chemical Society","2003","125","","4020","4021","10.1021/ja028446y","","","0.71073","MoKα","","0.088","0.0523","","","0.0939","0.1162","","","","","","1.208","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113622","10.7225","0.0006","11.9653","0.0007","19.371","0.0011","86.526","0.001","77.212","0.001","72.101","0.001","2306.2","0.2","183","2","293","2","","","","","","","","4","P -1","-P 1","2","Nb(MesCN)(N[Np]Ar)3","","","- C49 H71 N4 Nb -","- C49 H71 N4 Nb -","- C98 H142 N8 Nb2 -","2","1","","Joshua S. Figueroa; Christopher C. Cummins","The Niobaziridine-Hydride Functional Group: Synthesis and Divergent Reactivity","Journal of the American Chemical Society","2003","125","","4020","4021","10.1021/ja028446y","","","0.71073","MoKα","","0.0435","0.0416","","","0.1346","0.1371","","","","","","1.203","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113623","19.9926","0.0016","10.8813","0.0009","22.5023","0.0018","90","","116.247","0.001","90","","4390.6","0.6","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Nb(N=C(H)tBu)(tBu(H)c=NAr)(N[Np]Ar)2","","","- C44 H69 N4 Nb -","- C44 H69 N4 Nb -","- C176 H276 N16 Nb4 -","4","1","","Joshua S. Figueroa; Christopher C. Cummins","The Niobaziridine-Hydride Functional Group: Synthesis and Divergent Reactivity","Journal of the American Chemical Society","2003","125","","4020","4021","10.1021/ja028446y","","","0.71073","MoKα","","0.0622","0.0526","","","0.1487","0.1548","","","","","","1.182","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113624","6.7476","0.0008","12.5932","0.0015","20.305","0.002","90","","90","","90","","1725.4","0.3","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Br3 O4 -","- C15 H15 Br3 O4 -","- C60 H60 Br12 O16 -","4","1","","Ara H. Mermerian; Gregory C. Fu","Catalytic Enantioselective Synthesis of Quaternary Stereocenters via Intermolecular C-Acylation of Silyl Ketene Acetals: Dual Activation of the Electrophile and the Nucleophile","Journal of the American Chemical Society","2003","125","","4050","4051","10.1021/ja028554k","","","0.71073","MoKα","","0.0906","0.0878","","","0.2031","0.207","","","","","","1.024","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113625","8.924","0.001","15.025","0.002","15.823","0.002","90","","96.569","0.006","90","","2107.7","0.5","123.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 F6 Ir N2 P -","- C20 H24 F6 Ir N2 P -","- C80 H96 F24 Ir4 N8 P4 -","4","1","","Tsutomu Abura; Seiji Ogo; Yoshihito Watanabe; Shunichi Fukuzumi","Isolation and Crystal Structure of a Water-Soluble Iridium Hydride: A Robust and Highly Active Catalyst for Acid-Catalyzed Transfer Hydrogenations of Carbonyl Compounds in Acidic Media","Journal of the American Chemical Society","2003","125","","4149","4154","10.1021/ja0288237","","","0.7107","MoKα","","","0.03","","","","0.0618","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113626","7.4603","0.0001","18.4567","0.0003","20.7189","0.0005","90","","90","","90","","2852.84","0.09","150","1","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C136 H128 N16 O16 -","8","1","","Mark Lautens; Wooseok Han; Jack Hung-Chang Liu","MgI2-Mediated Ring Expansions of Secondary Methylenecyclopropyl Amides","Journal of the American Chemical Society","2003","125","","4028","4029","10.1021/ja028967l","","","0.71073","MoKα","","0.0506","0.0376","","","0.0904","0.0983","","","","","","1.016","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113627","15.0245","0.0004","7.59","0.0002","19.2583","0.0005","90","","100.117","0.002","90","","2161.99","0.1","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N3 O3 S -","- C24 H23 N3 O3 S -","- C96 H92 N12 O12 S4 -","4","1","","Mark Lautens; Wooseok Han; Jack Hung-Chang Liu","MgI2-Mediated Ring Expansions of Secondary Methylenecyclopropyl Amides","Journal of the American Chemical Society","2003","125","","4028","4029","10.1021/ja028967l","","","0.71073","MoKα","","0.0451","0.0364","","","0.0887","0.0947","","","","","","1.071","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113628","7.4119","0.0009","14.0747","0.0018","18.681","0.002","90","","90","","90","","1948.8","0.4","293","2","167","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6892","","","0.0649","0.0453","","","0.1025","0.1083","","","","","","1.032","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113629","7.4158","0.0018","14.071","0.004","18.697","0.005","90","","90","","90","","1951","0.9","233","2","233","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6892","","","0.0672","0.0461","","","0.1104","0.1178","","","","","","1.037","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113630","7.418","0.003","14.07","0.005","18.706","0.007","90","","90","","90","","1952.4","1.3","293","2","269","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6892","","","0.0769","0.0513","","","0.1209","0.131","","","","","","1.048","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113631","7.418","0.003","14.068","0.005","18.715","0.007","90","","90","","90","","1953","1.3","300","2","300","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6892","","","0.067","0.0438","","","0.1085","0.116","","","","","","1.014","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113632","7.424","0.006","14.055","0.011","18.75","0.013","90","","90","","90","","1956","3","513","2","513","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.0625","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6893","synchrotron","","0.133","0.089","","","0.2122","0.2495","","","","","","1.087","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113633","7.4105","0.0006","14.0764","0.0011","18.6746","0.0014","90","","90","","90","","1948","0.3","133","2","133","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6892","","","0.068","0.0511","","","0.1107","0.1158","","","","","","1.108","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113634","7.421","0.004","14.066","0.007","18.726","0.009","90","","90","","90","","1954.7","1.7","333","2","333","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6892","","","0.0746","0.0469","","","0.117","0.1291","","","","","","0.985","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113635","7.424","0.005","14.065","0.009","18.743","0.009","90","","90","","90","","1957","2","367","2","367","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6892","","","0.0894","0.0539","","","0.1378","0.1533","","","","","","0.963","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113636","7.426","0.007","14.066","0.004","18.752","0.007","90","","90","","90","","1959","2","379","2","379","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6883","","","0.1799","0.0882","","","0.1744","0.1977","","","","","","1.19","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113637","7.429","0.006","14.067","0.011","18.765","0.014","90","","90","","90","","1961","3","408","2","408","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6883","","","0.2154","0.0998","","","0.1981","0.2281","","","","","","1.167","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113638","7.428","0.005","14.065","0.008","18.765","0.012","90","","90","","90","","1960","2","436","2","436","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.0625","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6883","","","0.0962","0.075","","","0.1828","0.1945","","","","","","0.967","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113639","7.427","0.004","14.061","0.007","18.76","0.01","90","","90","","90","","1959.1","1.8","468","2","468","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.0625","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6883","","","0.1281","0.1008","","","0.2679","0.2761","","","","","","1.115","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113640","7.425","0.006","14.056","0.012","18.755","0.016","90","","90","","90","","1957","3","497","2","497","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.0625","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6883","","","0.096","0.0763","","","0.2053","0.2172","","","","","","1.096","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113641","7.017","0.002","10.987","0.004","12.948","0.004","93.988","0.007","104.824","0.006","93.071","0.006","960","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N4 O4 -","- C21 H21 N4 O4 -","- C42 H42 N8 O8 -","2","1","","Andrew G. Leach; Renxiao Wang; G. Erich Wohlhieter; Saeed I. Khan; Michael E. Jung; K. N. Houk","Theoretical Elucidation of Kinetic and Thermodynamic Control of Radical Addition Regioselectivity","Journal of the American Chemical Society","2003","125","","4271","4278","10.1021/ja029342q","","","0.71073","MoKα","","0.1839","0.0618","","","0.0951","0.1191","","","","","","0.81","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113642","14.825","0.002","10.574","0.001","24.9363","0.0006","90","","100.624","0.0005","90","","3842","0.6","193.2","","","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C41 H104 Fe8 N8 S9 Si8 -","- C79 H207 Fe16 N16 S17 Si16 -","- C158 H414 Fe32 N32 S34 Si32 -","2","0.5","","Yasuhiro Ohki; Yusuke Sunada; Masaru Honda; Motomi Katada; Kazuyuki Tatsumi","Synthesis of the P-Cluster Inorganic Core of Nitrogenases","Journal of the American Chemical Society","2003","125","","4052","4053","10.1021/ja029383m","","","0.7107","MoKα","","","0.038","","","","0.0433","","","","","","2.823","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113643","29.963","0.004","16.29","0.01","17.264","0.004","90","","115.82","0.01","90","","7585","5","258.2","","258.2","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Cl2 F10 N2 O2 Si2 Ti -","- C32 H26 Cl2 F10 N2 O2 Si2 Ti -","- C256 H208 Cl16 F80 N16 O16 Si16 Ti8 -","8","1","","Makoto Mitani; Rieko Furuyama; Jun-ichi Mohri; Junji Saito; Seiichi Ishii; Hiroshi Terao; Takashi Nakano; Hidetsugu Tanaka; Terunori Fujita","Syndiospecific Living Propylene Polymerization Catalyzed by Titanium Complexes Having Fluorine-Containing Phenoxy-Imine Chelate Ligands","Journal of the American Chemical Society","2003","125","","4293","4305","10.1021/ja029560j","","","0.7107","MoKα","","0.0401","0.0401","","","0.0978","0.0978","","","","","","1.302","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113644","16.45","0.004","24.882","0.005","14.521","0.002","90","","90","","90","","5944","2","298.2","","298.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H12 Cl4 F10 N2 O2 Ti -","- C27 H12 Cl4 F10 N2 O2 Ti -","- C216 H96 Cl32 F80 N16 O16 Ti8 -","8","1","","Makoto Mitani; Rieko Furuyama; Jun-ichi Mohri; Junji Saito; Seiichi Ishii; Hiroshi Terao; Takashi Nakano; Hidetsugu Tanaka; Terunori Fujita","Syndiospecific Living Propylene Polymerization Catalyzed by Titanium Complexes Having Fluorine-Containing Phenoxy-Imine Chelate Ligands","Journal of the American Chemical Society","2003","125","","4293","4305","10.1021/ja029560j","","","0.7107","MoKα","","0.0483","0.0483","","","0.0649","0.0649","","","","","","1.885","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113645","10.3219","0.0017","11.327","0.0018","16.646","0.003","81.853","0.003","80.372","0.003","69.761","0.003","1792.9","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H41 Cl N Ni O P -","- C43 H41 Cl N Ni O P -","- C86 H82 Cl2 N2 Ni2 O2 P2 -","2","1","","Stephen R. Foley; Robert A. Stockland; Han Shen; Richard F. Jordan","Reaction of Vinyl Chloride with Late Transition Metal Olefin Polymerization Catalysts","Journal of the American Chemical Society","2003","125","","4350","4361","10.1021/ja029823+","","","0.71073","MoKα","","0.0479","0.0393","","","0.0812","0.0849","","","","","","0.979","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113646","14.477","0.004","14.703","0.004","42.596","0.011","90","","99.574","0.005","90","","8940","4","373","2","373","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H116.25 N4 Ni2 O4 -","- C106.998 H104 N4 Ni2 O4 -","- C427.992 H416 N16 Ni8 O16 -","4","1","","Stephen R. Foley; Robert A. Stockland; Han Shen; Richard F. Jordan","Reaction of Vinyl Chloride with Late Transition Metal Olefin Polymerization Catalysts","Journal of the American Chemical Society","2003","125","","4350","4361","10.1021/ja029823+","","","0.71073","MoKα","","0.0877","0.0714","","","0.1321","0.1384","","","","","","1.232","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113647","23.915","0.005","25.14","0.004","13.047","0.003","90","","90","","90","","7844","3","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C79 H24 Ag B22 Cl18 N -","- C79 H24 Ag B22 Cl18 N -","- C316 H96 Ag4 B88 Cl72 N4 -","4","0.5","","Kee-Chan Kim; Frank Hauke; Andreas Hirsch; Peter D. W. Boyd; Elizabeth Carter; Robert S. Armstrong; Peter A. Lay; Christopher A. Reed","Synthesis of the C59N+ Carbocation. A Monomeric Azafullerene Isoelectronic to C60","Journal of the American Chemical Society","2003","125","","4024","4025","10.1021/ja034014r","","","0.71073","MoKα","","0.0973","0.0693","","","0.1851","0.2146","","","","","","1.029","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113648","7.617","0.005","8.567","0.005","10.404","0.005","100.59","0.005","106.34","0.005","106.11","0.005","600.1","0.6","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H32 O2 Si4 -","- C20 H32 O2 Si4 -","- C20 H32 O2 Si4 -","1","0.5","","Cosmina Dutan; Sylvie Choua; Théo Berclaz; Michel Geoffroy; Nicolas Mézailles; Audrey Moores; Louis Ricard; Pascal Le Floch","Electron Transfer between Two Silyl-Substituted Phenylene Rings: EPR/ENDOR Spectra, DFT Calculations, and Crystal Structure of the One-Electron Reduction Compound of a Di(m-silylphenylenedisiloxane)","Journal of the American Chemical Society","2003","125","","4487","4494","10.1021/ja0209060","","","0.71069","MoKα","","0.0386","0.0325","","","0.0924","0.0969","","","","","","1.033","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113649","10.268","0.005","10.604","0.005","11.829","0.005","72.95","0.005","87.14","0.005","81.82","0.005","1218.8","1","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H72 K O10 Si4 -","- C40 H72 K O10 Si4 -","- C40 H72 K O10 Si4 -","1","0.5","","Cosmina Dutan; Sylvie Choua; Théo Berclaz; Michel Geoffroy; Nicolas Mézailles; Audrey Moores; Louis Ricard; Pascal Le Floch","Electron Transfer between Two Silyl-Substituted Phenylene Rings: EPR/ENDOR Spectra, DFT Calculations, and Crystal Structure of the One-Electron Reduction Compound of a Di(m-silylphenylenedisiloxane)","Journal of the American Chemical Society","2003","125","","4487","4494","10.1021/ja0209060","","","0.71069","MoKα","","0.0606","0.0443","","","0.1066","0.1171","","","","","","1.035","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113650","11.7096","0.001","12.3659","0.0011","12.3697","0.001","88.925","0.002","79.172","0.002","79.722","0.002","1730.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H102 B2 Co2 N14 Si2 -","- C62 H102 B2 Co2 N14 Si2 -","- C62 H102 B2 Co2 N14 Si2 -","1","0.5","","Sunita Thyagarajan; Daniel T. Shay; Christopher D. Incarvito; Arnold L. Rheingold; Klaus H. Theopold","Intramolecular C-H Activation by Inferred Terminal Cobalt Imido Intermediates","Journal of the American Chemical Society","2003","125","","4440","4441","10.1021/ja028267g","","","0.71073","MoKα","","0.0813","0.0584","","","0.1567","0.1766","","","","","","1.187","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113651","12.4593","0.0013","10.446","0.0011","29.652","0.003","90","","97.321","0.002","90","","3827.7","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H61 B Co N7 Si -","- C32 H61 B Co N7 Si -","- C128 H244 B4 Co4 N28 Si4 -","4","1","","Sunita Thyagarajan; Daniel T. Shay; Christopher D. Incarvito; Arnold L. Rheingold; Klaus H. Theopold","Intramolecular C-H Activation by Inferred Terminal Cobalt Imido Intermediates","Journal of the American Chemical Society","2003","125","","4440","4441","10.1021/ja028267g","","","0.71073","MoKα","","0.105","0.0683","","","0.1795","0.2026","","","","","","1.334","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113652","15.5674","0.0015","38.892","0.004","9.4511","0.0009","90","","93.495","0.002","90","","5711.5","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H87 N6 O3 U -","- C57 H87 N6 O3 U -","- C228 H348 N24 O12 U4 -","4","1","","Ingrid Castro-Rodriguez; Kristian Olsen; Peter Gantzel; Karsten Meyer","Uranium Tris-aryloxide Derivatives Supported by Triazacyclononane: Engendering a Reactive Uranium(III) Center with a Single Pocket for Reactivity","Journal of the American Chemical Society","2003","125","","4565","4571","10.1021/ja028342n","","","0.71073","MoKα","","0.0687","0.0459","","","0.0894","0.0935","","","","","","1.031","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113653","26.853","0.002","15.5322","0.0013","28.082","0.002","90","","93.617","0.001","90","","11689.3","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C114 H188 N8 O6 Si2 U2 -","- C114 H188 N8 O6 Si2 U2 -","- C456 H752 N32 O24 Si8 U8 -","4","1","","Ingrid Castro-Rodriguez; Kristian Olsen; Peter Gantzel; Karsten Meyer","Uranium Tris-aryloxide Derivatives Supported by Triazacyclononane: Engendering a Reactive Uranium(III) Center with a Single Pocket for Reactivity","Journal of the American Chemical Society","2003","125","","4565","4571","10.1021/ja028342n","","","0.71073","MoKα","","0.0517","0.0342","","","0.0769","0.0803","","","","","","0.917","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113654","14.563","0.005","19.866","0.007","24.082","0.008","90","","100.187","0.005","90","","6857","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H92 N6 O3 U -","- C57 H92 N6 O3 U -","- C228 H368 N24 O12 U4 -","4","1","","Ingrid Castro-Rodriguez; Kristian Olsen; Peter Gantzel; Karsten Meyer","Uranium Tris-aryloxide Derivatives Supported by Triazacyclononane: Engendering a Reactive Uranium(III) Center with a Single Pocket for Reactivity","Journal of the American Chemical Society","2003","125","","4565","4571","10.1021/ja028342n","","","0.71073","MoKα","","0.1117","0.0655","","","0.1525","0.1734","","","","","","1.015","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113655","29.486","0.004","29.833","0.004","37.579","0.005","90","","90","","90","","33057","8","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H124 Cl Co N13 O31 P -","- C64 H90 Cl Co N13 O31 P -","- C1024 H1440 Cl16 Co16 N208 O496 P16 -","16","4","","Kevin M. McCauley; Scott R. Wilson; Wilfred A. van der Donk","Characterization of Chlorovinylcobalamin, A Putative Intermediate in Reductive Degradation of Chlorinated Ethylenes","Journal of the American Chemical Society","2003","125","","4410","4411","10.1021/ja029692c","","","1.54178","CuKα","","0.122","0.1012","","","0.2744","0.2901","","","","","","1.133","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4113656","14.0484","0.0009","17.0002","0.0011","26.8819","0.0018","79.076","0.001","84.661","0.001","69.409","0.001","5898.6","0.7","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C20.13 H43.5 B Cu F4 N3 Ni1.5 O S3 -","- C20.125 H42 B Cu F4 N3 Ni1.5 O S3 -","- C161 H336 B8 Cu8 F32 N24 Ni12 O8 S24 -","8","4","","Rangan Krishnan; Janis K. Voo; Charles G. Riordan; Lev Zahkarov; Arnold L. Rheingold","Thiolate-Bridged Nickel-Copper Complexes: A Binuclear Model for the Catalytic Site of Acetyl Coenzyme A Synthase?","Journal of the American Chemical Society","2003","125","","4422","4423","10.1021/ja0346577","","","0.71073","MoKα","","0.0761","0.0557","","","0.1492","0.1644","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113657","18.1866","0.0012","14.585","0.001","20.3877","0.0014","90","","99.295","0.001","90","","5336.9","0.6","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C43 H62 Cu2 K2 N4 Ni2 O9 S4 -","- C43 H62 Cu2 K2 N4 Ni2 O9 S4 -","- C172 H248 Cu8 K8 N16 Ni8 O36 S16 -","4","0.5","","Rangan Krishnan; Janis K. Voo; Charles G. Riordan; Lev Zahkarov; Arnold L. Rheingold","Thiolate-Bridged Nickel-Copper Complexes: A Binuclear Model for the Catalytic Site of Acetyl Coenzyme A Synthase?","Journal of the American Chemical Society","2003","125","","4422","4423","10.1021/ja0346577","","","0.71073","MoKα","","0.0337","0.0294","","","0.0778","0.08","","","","","","1.004","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4113658","12.201","0.0011","13.55","0.0012","13.9605","0.0013","98.423","0.002","111.255","0.001","110.379","0.002","1915.6","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H62 B Cu N2 Ni S5 -","- C32 H62 B Cu N2 Ni S5 -","- C64 H124 B2 Cu2 N4 Ni2 S10 -","2","1","","Rangan Krishnan; Janis K. Voo; Charles G. Riordan; Lev Zahkarov; Arnold L. Rheingold","Thiolate-Bridged Nickel-Copper Complexes: A Binuclear Model for the Catalytic Site of Acetyl Coenzyme A Synthase?","Journal of the American Chemical Society","2003","125","","4422","4423","10.1021/ja0346577","","","0.71073","MoKα","","0.079","0.0608","","","0.1542","0.1639","","","","","","1.068","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113659","19.934","0.007","13.572","0.005","21.073","0.007","90","","106.973","0.006","90","","5453","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 B Cr F4 N6 -","- C66 H42 B Cr F4 N6 -","- C264 H168 B4 Cr4 F16 N24 -","4","0.5","","Randall E. Robinson; Thomas C. Holovics; Stephan F. Deplazes; Gerald H. Lushington; Douglas R. Powell; Mikhail V. Barybin","First Isocyanoazulene and Its Homoleptic Complexes","Journal of the American Chemical Society","2003","125","","4432","4433","10.1021/ja034706f","","","0.71073","MoKα","","0.0997","0.0641","","","0.1541","0.1733","","","","","","0.969","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113660","13.2609","0.0011","13.7486","0.001","22.1473","0.0018","105.949","0.002","94.927","0.003","108.663","0.004","3610.7","0.5","91","2","91","2","","","","","","","","5","P -1","-P 1","2","Fe(OEP-NH2)degradation product","","","- C38 H49 Fe N5 O3 -","- C38 H49 Fe N5 O3 -","- C152 H196 Fe4 N20 O12 -","4","2","","Heather Kalish; Hon Man Lee; Marilyn M. Olmstead; Lechosław Latos-Grażyński; Sankar Prasad Rath; Alan L. Balch","Heme Cleavage with Remarkable Ease: Paramagnetic Intermediates Formed by Aerobic Oxidation of a Meso-Amino-Substituted Iron Porphyrin","Journal of the American Chemical Society","2003","125","","4674","4675","10.1021/ja021253q","","","0.71073","MoKα","","0.1134","0.0627","","","0.1519","0.1838","","","","","","1.023","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113661","12.56","0.0008","9.1084","0.0008","14.2275","0.0011","90","","102.86","0.005","90","","1586.8","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H34 Cl4 N10 O4 P6 -","- C16 H34 Cl4 N10 O4 P6 -","- C32 H68 Cl8 N20 O8 P12 -","2","0.5","","Serap Beşli; Simon J. Coles; David B. Davies; Robert J. Eaton; Michael B. Hursthouse; Adem Kiliç; Robert A. Shaw; Gönül Yenilmez Çiftçi; Serkan Yeşilot","Anomalous NMR Behavior of Meso Compounds with Remote Stereogenic Centers on Addition of Chiral Shift Reagent or Chiral Solvating Agent","Journal of the American Chemical Society","2003","125","","4943","4950","10.1021/ja028871r","","","0.71073","MoKα","","0.1633","0.0612","","","0.1217","0.1539","","","","","","0.957","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113662","21.039","0.004","9.6447","0.0019","43.486","0.009","90","","90","","90","","8824","3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H62 Cl4 N14 P6 -","- C26 H62 Cl4 N14 P6 -","- C208 H496 Cl32 N112 P48 -","8","1","","Serap Beşli; Simon J. Coles; David B. Davies; Robert J. Eaton; Michael B. Hursthouse; Adem Kiliç; Robert A. Shaw; Gönül Yenilmez Çiftçi; Serkan Yeşilot","Anomalous NMR Behavior of Meso Compounds with Remote Stereogenic Centers on Addition of Chiral Shift Reagent or Chiral Solvating Agent","Journal of the American Chemical Society","2003","125","","4943","4950","10.1021/ja028871r","","","0.71073","MoKα","","0.1789","0.0675","","","0.1191","0.1508","","","","","","0.949","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113663","9.7031","0.0019","12.361","0.003","18.828","0.004","95.15","0.03","98.9","0.03","96.32","0.03","2204.3","0.9","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H62 Cl4 N14 P6 -","- C26 H62 Cl4 N14 P6 -","- C52 H124 Cl8 N28 P12 -","2","1","","Serap Beşli; Simon J. Coles; David B. Davies; Robert J. Eaton; Michael B. Hursthouse; Adem Kiliç; Robert A. Shaw; Gönül Yenilmez Çiftçi; Serkan Yeşilot","Anomalous NMR Behavior of Meso Compounds with Remote Stereogenic Centers on Addition of Chiral Shift Reagent or Chiral Solvating Agent","Journal of the American Chemical Society","2003","125","","4943","4950","10.1021/ja028871r","","","0.71073","MoKα","","0.115","0.0732","","","0.183","0.2134","","","","","","1.003","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113664","25.528","0.005","14.911","0.003","17.257","0.004","90","","96.39","0.03","90","","6528","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H37 N4 O6 P3 -","- C32 H37 N4 O6 P3 -","- C256 H296 N32 O48 P24 -","8","1","","Serap Beşli; Simon J. Coles; David B. Davies; Robert J. Eaton; Michael B. Hursthouse; Adem Kiliç; Robert A. Shaw; Gönül Yenilmez Çiftçi; Serkan Yeşilot","Anomalous NMR Behavior of Meso Compounds with Remote Stereogenic Centers on Addition of Chiral Shift Reagent or Chiral Solvating Agent","Journal of the American Chemical Society","2003","125","","4943","4950","10.1021/ja028871r","","","0.71073","MoKα","","0.0971","0.076","","","0.1937","0.2136","","","","","","1.031","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113665","8.7188","0.0005","14.5607","0.0007","8.5946","0.0005","99.563","0.003","89.526","0.001","73.718","0.004","1031.05","0.1","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","manuscript number (JA0292748) [1-(Toluene-4-sulfonyl)-2,3-dihydro-1H-quinolin-[spiro -4'-(3',4'-dihydro-2H-pyran)]-acetic acid methyl ester","","- C23 H23 N O5 S -","- C23 H23 N O5 S -","- C46 H46 N2 O10 S2 -","2","1","","Manabu Hatano; Koichi Mikami","Highly Enantioselective Quinoline Synthesis via Ene-type Cyclization of 1,7-Enynes Catalyzed by a Cationic BINAP-Palladium(II) Complex","Journal of the American Chemical Society","2003","125","","4704","4705","10.1021/ja0292748","","","0.71069","MoKα","","0.0697","0.0647","","","0.1817","0.1838","","","","","","1.827","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113666","9.3996","0.0002","19.402","0.0004","9.8885","0.0002","90","","92.88","0.001","90","","1801.1","0.06","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","manuscript number (JA0292748) 4-Methylene-1-(toluene-4-sulfonyl)-1,2,3,4-tetrahydro -quinoline-3-spiro-4'-(3',4'-dihydro-2H-pyran).","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C84 H84 N4 O12 S4 -","4","1","","Manabu Hatano; Koichi Mikami","Highly Enantioselective Quinoline Synthesis via Ene-type Cyclization of 1,7-Enynes Catalyzed by a Cationic BINAP-Palladium(II) Complex","Journal of the American Chemical Society","2003","125","","4704","4705","10.1021/ja0292748","","","0.71069","MoKα","","0.0578","0.0508","","","0.1391","0.1419","","","","","","1.56","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113667","8.7403","0.0002","14.6538","0.0007","8.4165","0.0003","99.17","0.001","90.207","0.003","72.859","0.002","1015.85","0.07","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","manuscript number (JA0292748) [1-(Toluene-4-sulfonyl)-2,3-dihydro-1H-quinolin-4 -ylidene-3-spirocyclopent-2'-ene]-acetic acid methyl ester.","","- C23 H23 N O4 S -","- C23 H23 N O4 S -","- C46 H46 N2 O8 S2 -","2","1","","Manabu Hatano; Koichi Mikami","Highly Enantioselective Quinoline Synthesis via Ene-type Cyclization of 1,7-Enynes Catalyzed by a Cationic BINAP-Palladium(II) Complex","Journal of the American Chemical Society","2003","125","","4704","4705","10.1021/ja0292748","","","0.71069","MoKα","","0.0654","0.0617","","","0.1845","0.1862","","","","","","1.804","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113668","19.102","0.002","19.102","0.002","20.535","0.003","90","","90","","90","","7492.9","1.6","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C38 H30 B12 F12 -","- C38 H30 B12 F12 -","- C304 H240 B96 F96 -","8","0.25","","Sergei V. Ivanov; Susie M. Miller; Oren P. Anderson; Konstantin A. Solntsev; Steven H. Strauss","Synthesis and Stability of Reactive Salts of Dodecafluoro-closo-dodecaborate(2-)","Journal of the American Chemical Society","2003","125","","4694","4695","10.1021/ja0296374","","","0.71073","MoKα","","0.1247","0.0614","","","0.099","0.117","","","","","","0.986","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113669","10.705","0.004","21.283","0.003","6.981","0.003","90","","90","","90","","1590.5","0.9","20","","20","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O S -","- C72 H88 O4 S4 -","- C72 H88 O4 S4 -","","","","Shengming Ma; Hongjun Ren; Qi Wei","Highly Regio- and Stereoselective Halohydroxylation Reaction of 1,2-Allenyl Phenyl Sulfoxides. Reaction Scope, Mechanism, and the Corresponding Pd- or Ni-Catalyzed Selective Coupling Reactions","Journal of the American Chemical Society","2003","125","","4817","4830","10.1021/ja034039q","","","0.7107","MoKalpha","","","0.044","","","0.047","","","","","1.57","1.57","","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113670","9.102","0.001","15.105","0.002","8.811","0.002","99.21","0.01","118.63","0.01","83.36","0.01","1048.5","0.3","20","","20","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 I O2 S -","- C36 H36 I4 O8 S4 -","- C36 H36 I4 O8 S4 -","","","","Shengming Ma; Hongjun Ren; Qi Wei","Highly Regio- and Stereoselective Halohydroxylation Reaction of 1,2-Allenyl Phenyl Sulfoxides. Reaction Scope, Mechanism, and the Corresponding Pd- or Ni-Catalyzed Selective Coupling Reactions","Journal of the American Chemical Society","2003","125","","4817","4830","10.1021/ja034039q","","","0.7107","MoKalpha","","","0.035","","","0.049","","","","","2.16","2.16","","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113671","7.576","0.004","37.003","0.007","6.523","0.004","90","","90","","90","","1828.6","1.5","20","","20","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 I O2 S -","- C72 H92 I4 O8 S4 -","- C72 H92 I4 O8 S4 -","","","","Shengming Ma; Hongjun Ren; Qi Wei","Highly Regio- and Stereoselective Halohydroxylation Reaction of 1,2-Allenyl Phenyl Sulfoxides. Reaction Scope, Mechanism, and the Corresponding Pd- or Ni-Catalyzed Selective Coupling Reactions","Journal of the American Chemical Society","2003","125","","4817","4830","10.1021/ja034039q","","","0.7107","MoKalpha","","","0.041","","","0.049","","","","","1.69","1.69","","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113672","14.961","0.003","9.4548","0.0016","15.518","0.003","90","","116.715","0.003","90","","1960.8","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C84 H92 N4 O16 S4 -","4","1","","Xue-Feng Zhu; Jie Lan; Ohyun Kwon","An Expedient Phosphine-Catalyzed [4 + 2] Annulation: Synthesis of Highly Functionalized Tetrahydropyridines","Journal of the American Chemical Society","2003","125","","4716","4717","10.1021/ja0344009","","","0.71073","MoKα","","0.1075","0.0392","","","0.0737","0.0868","","","","","","0.837","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113673","27.428","0.01","11.752","0.004","14.272","0.005","90","","93.14","0.007","90","","4593","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 N O4 S -","- C27 H27 N O4 S -","- C216 H216 N8 O32 S8 -","8","1","","Xue-Feng Zhu; Jie Lan; Ohyun Kwon","An Expedient Phosphine-Catalyzed [4 + 2] Annulation: Synthesis of Highly Functionalized Tetrahydropyridines","Journal of the American Chemical Society","2003","125","","4716","4717","10.1021/ja0344009","","","0.71073","MoKα","","0.0799","0.0605","","","0.1365","0.1478","","","","","","1.065","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113674","11.196","0.001","8.7892","0.0007","13.566","0.001","90","","108.307","0.002","90","","1267.38","0.18","285.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H28 N O4 P -","- C29 H26 N O4 P -","- C58 H52 N2 O8 P2 -","2","1","","Shigeki Matsunaga; Naoya Kumagai; Shinji Harada; Masakatsu Shibasaki","anti-Selective Direct Catalytic Asymmetric Mannich-type Reaction of Hydroxyketone Providing β-Amino Alcohols","Journal of the American Chemical Society","2003","125","","4712","4713","10.1021/ja034787f","","","0.7107","MoKα","","","0.0391","","","","0.0518","","","","","","0.85","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113675","8.782","0.0002","17.343","0.0008","21.47","0.001","90","","90.131","0.003","90","","3270","0.2","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,3-Diethyl-1,1-bis(tri-tert-butylsilyl)-1-silacycloprop-2-ene","","- C30 H64 Si3 -","- C30 H64 Si3 -","- C120 H256 Si12 -","4","1","","Akira Sekiguchi; Takashi Tanaka; Masaaki Ichinohe; Kimio Akiyama; Shozo Tero-Kubota","Bis(tri-tert-butylsilyl)silylene: Triplet Ground State Silylene","Journal of the American Chemical Society","2003","125","","4962","4963","10.1021/ja020929e","","","0.7107","MoKα","","0.061","0.0459","","","0.1149","0.1234","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113676","12.886","0.0004","15.848","0.0005","16.418","0.0005","90","","111.171","0.002","90","","3126.55","0.17","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1-Bis(tri-tert-butylsilyl)-2,3-dimethyl-1-silacycloprop-2-ene","","- C28 H60 Si3 -","- C28 H60 Si3 -","- C112 H240 Si12 -","4","1","","Akira Sekiguchi; Takashi Tanaka; Masaaki Ichinohe; Kimio Akiyama; Shozo Tero-Kubota","Bis(tri-tert-butylsilyl)silylene: Triplet Ground State Silylene","Journal of the American Chemical Society","2003","125","","4962","4963","10.1021/ja020929e","","","0.7107","MoKα","","0.0551","0.0477","","","0.1332","0.1391","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113677","8.661","0.0002","25.824","0.0005","14.482","0.0002","90","","91.771","0.001","90","","3237.52","0.11","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,4-Di-tert-butyl-2,3-diethyl-5,5-dimethyl-1-tri-tert-butylsilyl- 1,4-disilacyclohex-2-ene","","- C30 H64 Si3 -","- C30 H64 Si3 -","- C120 H256 Si12 -","4","1","","Akira Sekiguchi; Takashi Tanaka; Masaaki Ichinohe; Kimio Akiyama; Shozo Tero-Kubota","Bis(tri-tert-butylsilyl)silylene: Triplet Ground State Silylene","Journal of the American Chemical Society","2003","125","","4962","4963","10.1021/ja020929e","","","0.7107","MoKα","","0.0363","0.0343","","","0.0976","0.0996","","","","","","1.022","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113678","11.0133","0.0004","15.2191","0.0008","34.881","0.002","90","","90","","90","","5846.5","0.5","123.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C63 H50 Cl2 F12 N O4 P -","- C63 H50 Cl2 F12 N O4 P -","- C252 H200 Cl8 F48 N4 O16 P4 -","4","1","","Takashi Ooi; Minoru Kameda; Keiji Maruoka","Design of N-Spiro C2-Symmetric Chiral Quaternary Ammonium Bromides as Novel Chiral Phase-Transfer Catalysts: Synthesis and Application to Practical Asymmetric Synthesis of α-Amino Acids","Journal of the American Chemical Society","2003","125","","5139","5151","10.1021/ja021244h","","","0.7107","MoKα","","","0.0836","","","","0.2343","","","","","","1.486","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113679","14.6723","0.0009","25.127","0.001","10.839","0.0005","90","","90","","90","","3996","0.3","288.2","","","","","","","","","","","4","I 21 21 21","I 2b 2c","24","","","","- C50 H44 Br N3 -","- C50 H44 Br N4 -","- C200 H176 Br4 N16 -","4","0.5","","Takashi Ooi; Minoru Kameda; Keiji Maruoka","Design of N-Spiro C2-Symmetric Chiral Quaternary Ammonium Bromides as Novel Chiral Phase-Transfer Catalysts: Synthesis and Application to Practical Asymmetric Synthesis of α-Amino Acids","Journal of the American Chemical Society","2003","125","","5139","5151","10.1021/ja021244h","","","0.7107","MoKα","","","0.0712","","","","0.2064","","","","","","1.256","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113680","8.0418","0.0006","11.192","0.0009","15.8196","0.0012","82.927","0.002","89.152","0.002","73.488","0.002","1354.41","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 Br O4 Si -","- C28 H33 Br O4 Si -","- C56 H66 Br2 O8 Si2 -","2","1","","Chaomin Li; Richard P. Johnson; John A. Porco","Total Synthesis of the Quinone Epoxide Dimer (+)-Torreyanic Acid: Application of a Biomimetic Oxidation/Electrocyclization/Diels-Alder Dimerization Cascade1","Journal of the American Chemical Society","2003","125","","5095","5106","10.1021/ja021396c","","","0.71073","MoKα","","0.0346","0.0273","","","0.0748","0.0782","","","","","","1.005","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113681","18.137","0.003","14.917","0.002","10.2722","0.0017","90","","95.999","0.005","90","","2763.9","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 Br O4 Si -","- C29 H30 Br O4 Si -","- C116 H120 Br4 O16 Si4 -","4","1","","Chaomin Li; Richard P. Johnson; John A. Porco","Total Synthesis of the Quinone Epoxide Dimer (+)-Torreyanic Acid: Application of a Biomimetic Oxidation/Electrocyclization/Diels-Alder Dimerization Cascade1","Journal of the American Chemical Society","2003","125","","5095","5106","10.1021/ja021396c","","","0.71073","MoKα","","0.0741","0.0387","","","0.0857","0.0992","","","","","","0.941","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113682","8.1252","0.0012","13.613","0.002","16.659","0.003","82.429","0.005","78.351","0.005","73.558","0.005","1725.4","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","Torreyanic Acid","","","- C38 H49 O8 -","- C38 H40 O8 -","- C76 H80 O16 -","2","1","","Chaomin Li; Richard P. Johnson; John A. Porco","Total Synthesis of the Quinone Epoxide Dimer (+)-Torreyanic Acid: Application of a Biomimetic Oxidation/Electrocyclization/Diels-Alder Dimerization Cascade1","Journal of the American Chemical Society","2003","125","","5095","5106","10.1021/ja021396c","","","0.71073","MoKα","","0.0951","0.0551","","","0.1353","0.1586","","","","","","0.984","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113683","28.105","0.003","6.3582","0.0006","19.2691","0.0018","90","","117.599","0.002","90","","3051.5","0.5","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 O4 -","- C17 H19 O4 -","- C136 H152 O32 -","8","1","","Chaomin Li; Richard P. Johnson; John A. Porco","Total Synthesis of the Quinone Epoxide Dimer (+)-Torreyanic Acid: Application of a Biomimetic Oxidation/Electrocyclization/Diels-Alder Dimerization Cascade1","Journal of the American Chemical Society","2003","125","","5095","5106","10.1021/ja021396c","","","0.71073","MoKα","","0.0831","0.0513","","","0.108","0.1192","","","","","","1.059","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113684","4.7177","0.0001","16.9643","0.0001","19.4494","0.0001","71.1","0.001","88.345","0.001","89.735","0.001","1472.03","0.03","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H30 N4 O4 S4 -","- C28 H30 N4 O4 S4 -","- C56 H60 N8 O8 S8 -","2","1","","Amy B. Koren; M. David Curtis; Anthony H. Francis; Jeff W. Kampf","Intermolecular Interactions in π-Stacked Conjugated Molecules. Synthesis, Structure, and Spectral Characterization of Alkyl Bithiazole Oligomers","Journal of the American Chemical Society","2003","125","","5040","5050","10.1021/ja029216m","","","0.71073","MoKα","","0.0677","0.0475","","","0.1157","0.1254","","","","","","1.073","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113685","4.9902","0.0001","9.4924","0.0002","16.9038","0.0003","105.997","0.001","91.479","0.001","99.28","0.001","757.55","0.03","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H38 N4 O8 S4 -","- C28 H38 N4 O8 S4 -","- C28 H38 N4 O8 S4 -","1","0.5","","Amy B. Koren; M. David Curtis; Anthony H. Francis; Jeff W. Kampf","Intermolecular Interactions in π-Stacked Conjugated Molecules. Synthesis, Structure, and Spectral Characterization of Alkyl Bithiazole Oligomers","Journal of the American Chemical Society","2003","125","","5040","5050","10.1021/ja029216m","","","0.71073","MoKα","","0.1519","0.1354","","","0.3732","0.379","","","","","","1.213","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113686","9.2787","0.0001","29.8874","0.0004","18.4486","0.0003","90","","104.414","0.0006","90","","4955.06","0.12","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38.75 H69.5 Cl1.5 N2 O6 P4 Pt2 -","- C38.75 H69.5 Cl1.5 N2 O6 P4 Pt2 -","- C155 H278 Cl6 N8 O24 P16 Pt8 -","4","1","","Yury K. Kryschenko; S. Russell Seidel; Atta M. Arif; Peter J. Stang","Coordination-Driven Self-Assembly of Predesigned Supramolecular Triangles","Journal of the American Chemical Society","2003","125","","5193","5198","10.1021/ja030018k","","","0.71073","MoKα","","0.0662","0.0433","","","0.0969","0.1058","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113687","10.4887","0.0002","41.3852","0.001","23.0853","0.0006","90","","99.366","0.001","90","","9887.2","0.4","200","2","200","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C144 H228 N12 O18 P12 Pt6 -","- C144 H218 N12 O18 P12 Pt6 -","- C288 H436 N24 O36 P24 Pt12 -","2","0.5","","Yury K. Kryschenko; S. Russell Seidel; Atta M. Arif; Peter J. Stang","Coordination-Driven Self-Assembly of Predesigned Supramolecular Triangles","Journal of the American Chemical Society","2003","125","","5193","5198","10.1021/ja030018k","","","0.71073","MoKα","","0.1434","0.0928","","","0.2755","0.3021","","","","","","1.012","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113688","8.0488","0.0011","8.0488","0.0011","30.552","0.006","90","","90","","120","","1714.1","0.5","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C15 H18 Mn2 N16 O -","- C15 H14 Mn2 N16 O -","- C45 H42 Mn6 N48 O3 -","3","0.5","","En-Qing Gao; Shi-Qiang Bai; Zhe-Ming Wang; Chun-Hua Yan","Two-Dimensional Homochiral Manganese(II)-Azido Frameworks Incorporating an Achiral Ligand: Partial Spontaneous Resolution and Weak Ferromagnetism","Journal of the American Chemical Society","2003","125","","4984","4985","10.1021/ja034129v","","","0.71073","MoKα","","0.0802","0.0425","","","0.089","0.1018","","","","","","1.026","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113689","15.0691","0.0004","7.829","0.0003","17.4369","0.0004","90","","96.088","0.002","90","","2045.53","0.11","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Mn2 N16 -","- C14 H14 Mn2 N16 -","- C56 H56 Mn8 N64 -","4","0.5","","En-Qing Gao; Shi-Qiang Bai; Zhe-Ming Wang; Chun-Hua Yan","Two-Dimensional Homochiral Manganese(II)-Azido Frameworks Incorporating an Achiral Ligand: Partial Spontaneous Resolution and Weak Ferromagnetism","Journal of the American Chemical Society","2003","125","","4984","4985","10.1021/ja034129v","","","0.71073","MoKα","","0.0663","0.0346","","","0.0785","0.0895","","","","","","1.012","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113690","5.9629","0.0007","10.338","0.0011","34.083","0.004","90","","90","","90","","2101","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O5 -","- C24 H32 O5 -","- C96 H128 O20 -","4","1","","Christopher D. Vanderwal; David A. Vosburg; Sven Weiler; Erik J. Sorensen","An Enantioselective Synthesis of FR182877 Provides a Chemical Rationalization of Its Structure and Affords Multigram Quantities of Its Direct Precursor","Journal of the American Chemical Society","2003","125","","5393","5407","10.1021/ja021472b","","","0.71073","MoKα","","0.1","0.0575","","","0.1159","0.132","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113691","10.2034","0.0009","6.8456","0.0006","25.029","0.002","90","","100.168","0.002","90","","1720.8","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-tert-butyl-endo-2-(4-cyanophenyl)-5-phenylbicyclo[3.1.0]hexan-3-one","","- C22 H24 O -","- C22 H24 O -","- C88 H96 O4 -","4","1","","Howard E. Zimmerman; Evgueni E. Nesterov","An Experimental and Theoretical Study of the Type C Enone Rearrangement: Mechanistic and Exploratory Organic Photochemistry1","Journal of the American Chemical Society","2003","125","","5422","5430","10.1021/ja028631b","","","0.71073","MoKα","","0.088","0.0619","","","0.1521","0.1667","","","","","","1.042","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113692","9.3266","0.0005","15.8144","0.0008","11.1575","0.0006","90","","90.195","0.001","90","","1645.66","0.15","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H46 N2 O2 Zn2 -","- C38 H46 N2 O2 Zn2 -","- C76 H92 N4 O4 Zn4 -","2","1","","Koji Nakano; Kyoko Nozaki; Tamejiro Hiyama","Asymmetric Alternating Copolymerization of Cyclohexene Oxide and CO2 with Dimeric Zinc Complexes","Journal of the American Chemical Society","2003","125","","5501","5510","10.1021/ja028666b","","","0.71073","MoKα","","0.0341","0.031","","","0.0703","0.0711","","","","","","0.977","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113693","14.5089","0.0016","14.6962","0.0016","22.214","0.003","90","","90","","90","","4736.6","1","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H50 F12 N2 O2 Zn2 -","- C49 H50 F12 N2 O2 Zn2 -","- C196 H200 F48 N8 O8 Zn8 -","4","1","","Koji Nakano; Kyoko Nozaki; Tamejiro Hiyama","Asymmetric Alternating Copolymerization of Cyclohexene Oxide and CO2 with Dimeric Zinc Complexes","Journal of the American Chemical Society","2003","125","","5501","5510","10.1021/ja028666b","","","0.71073","MoKα","","0.1398","0.048","","","0.0898","0.1196","","","","","","0.632","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113694","6.4845","0.0011","5.6366","0.001","27.519","0.005","90","","90","","90","","1005.8","0.3","213","2","213","2","","","","","","","synthesized","4","C m c a","-C 2ac 2","64","trans-3-iodoacrylic acid","trans-3-iodopropenoic acid","","- C3 H3 I O2 -","- C3 H3 I O2 -","- C24 H24 I8 O16 -","8","","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0255","0.0241","","0.0619","0.0607","","","","1.197","1.2","1.2","","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113695","6.8251","0.0011","7.0639","0.0011","7.4907","0.0012","89.268","0.003","74.028","0.003","80.275","0.003","341.99","0.09","213","2","213","2","","","","","","","synthesized","4","P -1","-P 1","2","","3-chloro-2-pentenedioic acid","","- C5 H5 Cl O4 -","- C5 H5 Cl O4 -","- C10 H10 Cl2 O8 -","2","1","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0398","0.0376","","0.1086","0.1042","","","","1.064","1.065","1.065","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113696","5.976","0.003","7.55","0.003","11.552","0.011","96.3","0.05","90.03","0.03","105.77","0.03","498.3","0.6","213","2","213","2","","","","","","","synthesized","3","P -1","-P 1","2","dimethyl-trans,trans,trans-2,4,6-octatrienedioate","","","- C10 H12 O4 -","- C10 H12 O4 -","- C20 H24 O8 -","2","1","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0481","0.044","","0.1238","0.118","","","","1.112","1.126","1.126","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113697","10.2246","0.001","16.531","0.002","6.2439","0.0006","90","","90","","90","","1055.36","0.19","213","2","213","2","","","","","","","synthesized","3","I b a m","-I 2 2c","72","","(E)-penta-2,4-dienoic acid","","- C5 H6 O2 -","- C5 H6 O2 -","- C40 H48 O16 -","8","0.5","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0384","0.0352","","0.1181","0.1094","","","","1.077","1.057","1.057","","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113698","5.725","0.001","7.7002","0.0014","14.178","0.003","84.059","0.003","82.291","0.003","74.9","0.003","596.4","0.2","213","2","213","2","","","","","","","","3","P -1","-P 1","2","deca-4:6-diynedioic acid dimethyl ester","","","- C12 H14 O4 -","- C12 H14 O4 -","- C24 H28 O8 -","2","1","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0867","0.0541","","","0.1423","0.1638","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113699","5.9286","0.0012","6.6599","0.0013","7.7447","0.0016","104.439","0.004","94.001","0.004","104.544","0.004","283.77","0.1","213","2","213","2","","","","","","","","3","P -1","-P 1","2","texic acid dimethyl ester","Deca-trans,trans,trans,trans-2:4:6:8-tetraene-1,10-dioic acid dimethyl ester","","- C12 H14 O4 -","- C12 H14 O4 -","- C12 H14 O4 -","1","0.5","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0512","0.0392","","","0.1046","0.1128","","","","","","1.078","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113700","5.709","0.0011","5.7192","0.0011","6.8962","0.0013","93.476","0.003","108.286","0.003","94.946","0.003","212.08","0.07","213","2","213","2","","","","","","","","3","P -1","-P 1","2","cis,cis-muconic acid dimethyl ester","","","- C8 H10 O4 -","- C8 H10 O4 -","- C8 H10 O4 -","1","0.5","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0353","0.0333","","","0.0909","0.0932","","","","","","1.103","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113701","5.7888","0.0011","5.8066","0.0011","6.7136","0.0013","105.021","0.003","105.843","0.003","92.465","0.003","208.1","0.07","213","2","213","2","","","","","","","","3","P -1","-P 1","2","trans,trans-muconic acid dimethyl ester","","","- C8 H10 O4 -","- C8 H10 O4 -","- C8 H10 O4 -","1","0.5","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0427","0.0366","","","0.1071","0.1126","","","","","","1.059","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113702","10.7683","0.0009","15.7031","0.0013","38.653","0.003","90","","91.749","0.002","90","","6533","0.9","213","2","213","2","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","","","","- C73 H71 B Mo2 N8 O6 -","- C73 H71 B Mo2 N8 O6 -","- C292 H284 B4 Mo8 N32 O24 -","4","1","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.107","0.0622","","0.1488","0.1286","","","","1.055","1.172","1.172","","","","","has coordinates,has disorder","178908","2020-10-21","18:00:00",""
"4113703","11.4243","0.0019","12.827","0.002","18.004","0.003","78.96","0.003","72.683","0.003","72.767","0.003","2390.1","0.7","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H49 Cl2 Mo2 N7 O6 -","- C47.5 H49 Cl2 Mo2 N7 O6 -","- C95 H98 Cl4 Mo4 N14 O12 -","2","1","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0563","0.049","","","0.1243","0.1316","","","","","","1.055","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113704","10.527","0.002","19.057","0.004","25.424","0.005","101.04","0.03","90.23","0.03","93.04","0.03","4998.4","1.8","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C51.5 H54 Cl Mo2 N6 O8 -","- C51.5 H46 Cl Mo2 N6 O8 -","- C206 H184 Cl4 Mo8 N24 O32 -","4","2","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0932","0.0712","","","0.1673","0.1908","","","","","","1.076","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113705","17.6216","0.001","16.9509","0.0009","15.9886","0.0009","90","","106.953","0.001","90","","4568.3","0.4","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 Mo2 N6 O8 -","- C48 H48 Mo2 N6 O8 -","- C192 H192 Mo8 N24 O32 -","4","1","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.037","0.0293","","","0.0708","0.0767","","","","","","1.06","","","","has coordinates,has disorder","178908","2020-10-21","18:00:00",""
"4113706","11.6419","0.0007","14.1583","0.0008","17.8869","0.0011","105.071","0.001","103.045","0.001","99.095","0.001","2698.8","0.3","213","2","213","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C52 H54 Cl4 Mo2 N6 O8 -","- C52 H54 Cl4 Mo2 N6 O8 -","- C104 H108 Cl8 Mo4 N12 O16 -","2","1","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0488","0.0411","","0.1194","0.1101","","","","1.049","1.05","1.05","","","","","has coordinates,has disorder","178908","2020-10-21","18:00:00",""
"4113707","13.6105","0.0007","17.3336","0.0009","22.7936","0.0011","71.867","0.001","74.644","0.001","71.635","0.001","4766.5","0.4","213","2","213","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C96 H96 Cl2 Mo4 N12 O16 -","- C96 H92 Cl2 Mo4 N12 O16 -","- C192 H184 Cl4 Mo8 N24 O32 -","2","1","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0505","0.0369","","0.1128","0.0945","","","","1.036","0.969","0.969","","","","","has coordinates,has disorder","178908","2020-10-21","18:00:00",""
"4113708","36.948","0.004","51.99","0.006","10.2531","0.0011","90","","90","","90","","19695","4","213","2","213","2","","","","","","","synthesized","6","F d d 2","F 2 -2d","43","","","","- C99 H100 Cl4 Mo4 N12 O16 -","- C99 H100 Cl4 Mo4 N12 O16 -","- C792 H800 Cl32 Mo32 N96 O128 -","8","0.5","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.031","0.0278","","0.0654","0.0631","","","","1.056","1.051","1.051","","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113709","13.6789","0.0012","13.8688","0.0012","30.866","0.003","92.967","0.002","100.522","0.002","104.761","0.002","5537.3","0.9","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C107 H118 Cl7 Mo4 N12 O17 -","- C107 H118 Cl7 Mo4 N12 O17 -","- C214 H236 Cl14 Mo8 N24 O34 -","2","1","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0996","0.0803","","","0.2042","0.2215","","","","","","1.054","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113710","11.6516","0.0007","13.8593","0.0008","17.2026","0.001","72.049","0.001","74.564","0.001","71.126","0.001","2457.5","0.3","213","2","213","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C100 H102 Cl4 Mo4 N12 O16 -","- C100 H102 Cl4 Mo4 N12 O16 -","- C100 H102 Cl4 Mo4 N12 O16 -","1","0.5","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0589","0.0403","","0.1122","0.0979","","","","1.032","1.037","1.037","","","","","has coordinates,has disorder","178908","2020-10-21","18:00:00",""
"4113711","12.7103","0.0009","14.3171","0.001","15.6948","0.0011","103.172","0.001","103.952","0.001","99.55","0.001","2624.1","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C113 H122 Mo2 N12 O16 -","- C114 H104 Mo4 N12 O16 -","- C114 H104 Mo4 N12 O16 -","1","0.5","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0729","0.0588","","","0.1629","0.1751","","","","","","1.046","","","","has coordinates,has disorder","178908","2020-10-21","18:00:00",""
"4113712","12.6901","0.001","15.0798","0.0012","15.4836","0.0012","98.081","0.001","105.715","0.001","104.35","0.001","2693.9","0.4","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","Bis(dimolybdenum(II)(N,N'-di-p-anisylformamidinate)3) (μ-deca-trans,trans,trans,trans-2,4,6,8-tetraene-1,10-dioate) mono(C~6~H~14~) mono(C~6~H~4~Cl~2~) disolvate","","- C112 H116 Cl2 Mo4 N12 O16 -","- C112 H98 Cl2 Mo4 N12 O16 -","- C112 H98 Cl2 Mo4 N12 O16 -","1","0.5","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0879","0.0557","","","0.1464","0.1703","","","","","","1.043","","","","has coordinates,has disorder","178908","2020-10-21","18:00:00",""
"4113713","15.286","0.001","15.286","0.001","18.709","0.002","90","","90","","120","","3785.9","0.5","293","2","298","2","","","","","","","","5","P 63","P 6c","173","","Ytterbium(iii)trisodiumtris-(S)-1,1'-bis(2-naphtoate) tetrahydrofurane solvate","","- C84 H84 Na3 O12 Yb -","- C84 H84 Na3 O12 Yb -","- C168 H168 Na6 O24 Yb2 -","2","0.333333","","Lorenzo Di Bari; Moreno Lelli; Guido Pintacuda; Gennaro Pescitelli; Fabio Marchetti; Piero Salvadori","Solution versus Solid-State Structure of Ytterbium Heterobimetallic Catalysts","Journal of the American Chemical Society","2003","125","","5549","5558","10.1021/ja0297640","","","0.71073","MoKα","","0.0789","0.0395","","","0.0801","0.0925","","","","","","1.037","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113714","10.8603","0.0001","37.0351","0.0002","21.3783","0.0002","90","","91.24","","90","","8596.6","0.12","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97 H90 F8 O3 P8 Pd3 -","- C83 H71 F8 O3 P8 Pd3 -","- C332 H284 F32 O12 P32 Pd12 -","4","1","","Frédéric Lemaître; Dominique Lucas; Katherine Groison; Philippe Richard; Yves Mugnier; Pierre D. Harvey","Thermal and Electrochemical C-X Activation (X = Cl, Br, I) by the Strong Lewis Acid Pd3(dppm)3(CO)2+ Cluster and Its Catalytic Applications","Journal of the American Chemical Society","2003","125","","5511","5522","10.1021/ja0297786","","","0.71073","MoKα","","0.0606","0.0405","","","0.1007","0.1059","","","","","","1.102","","","","has coordinates,has disorder","178908","2020-10-21","18:00:00",""
"4113715","9.1024","0.0005","9.774","0.0006","16.2918","0.0008","90","","101.871","0.002","90","","1418.43","0.14","273.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H28 F6 Mn N4 O6 S2 -","- C22 H28 F6 Mn N4 O6 S2 -","- C44 H56 F12 Mn2 N8 O12 S4 -","2","1","","Andrew Murphy; Geraud Dubois; T. D. P. Stack","Efficient Epoxidation of Electron-Deficient Olefins with a Cationic Manganese Complex","Journal of the American Chemical Society","2003","125","","5250","5251","10.1021/ja029962r","","","0.7107","MoKα","","","0.045","","","","0.108","","","","","","0.904","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113716","9.4259","0.0006","17.4816","0.0009","30.462","0.002","90","","90","","90","","5019.5","0.5","273.1","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H22 F6 Mn N4 O6 S2 -","- C18 H22 F6 Mn N4 O6 S2 -","- C144 H176 F48 Mn8 N32 O48 S16 -","8","1","","Andrew Murphy; Geraud Dubois; T. D. P. Stack","Efficient Epoxidation of Electron-Deficient Olefins with a Cationic Manganese Complex","Journal of the American Chemical Society","2003","125","","5250","5251","10.1021/ja029962r","","","0.7107","MoKα","","","0.036","","","","0.095","","","","","","0.686","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113717","12.446","0.0012","16.027","0.002","27.704","0.003","90","0.01","90","0.009","90","0.009","5526.2","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-(Val-Ala-Phe-Aib)2-OMe","t-Butoxycarbonyl-valyl-alanyl-phenylalanyl-(alpha-aminoisobutyryl)-valyl -alanyl-phenylalanyl-(alpha-aminoisobutyryl)-methyl ester","","- C48 H72 N8 O11 -","- C48 H72 N8 O11 -","- C192 H288 N32 O44 -","4","1","","Subrayashastry Aravinda; Narayanaswamy Shamala; Chittaranjan Das; Arumugam Sriranjini; Isabella L. Karle; Padmanabhan Balaram","Aromatic-Aromatic Interactions in Crystal Structures of Helical Peptide Scaffolds Containing Projecting Phenylalanine Residues","Journal of the American Chemical Society","2003","125","","5308","5315","10.1021/ja0341283","","","1.5418","CuKα","","0.0895","0.0588","","","0.1609","0.197","","","","","","1.073","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113718","38.779","0.013","8.839","0.002","23.369","0.005","90","","104.74","0.02","90","","7747","4","293","2","293","2","","","","","","","Synthesized","4","C 1 2 1","C 2y","5","Boc-(Val-Ala-Phe-Aib)3-OMe","t-Butoxycarbonyl-valyl-alanyl-phenylalanyl-(alpha-aminoisobutyryl)-valyl -alanyl-phenylalanyl-(alpha-aminoisobutyryl)-valyl-alanyl-phenylalanyl- (alpha-aminoisobutyryl)-methyl ester","","- C69 H100 N12 O15 -","- C69 H69 N12 O15 -","- C276 H276 N48 O60 -","4","1","","Subrayashastry Aravinda; Narayanaswamy Shamala; Chittaranjan Das; Arumugam Sriranjini; Isabella L. Karle; Padmanabhan Balaram","Aromatic-Aromatic Interactions in Crystal Structures of Helical Peptide Scaffolds Containing Projecting Phenylalanine Residues","Journal of the American Chemical Society","2003","125","","5308","5315","10.1021/ja0341283","","","1.54178","CuKα","","0.2603","0.1022","","0.3143","0.2091","","","","1.015","1.404","1.404","","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113719","10.802","0.003","16.361","0.005","17.853","0.006","116.405","0.005","95.535","0.007","93.164","0.006","2795.8","1.5","293","2","293","2","","","","","","","","4","P 1","P 1","1","Boc-Aib-Ala-Phe-Aib-Phe-Ala-Val-Aib-OMe","t-Butoxycarbonyl-(alpha-aminoisobutyryl)-alanyl-phenylalanyl- (alpha-aminoisobutyryl)-phenylalanyl-alanyl-valyl-(alpha-aminoisobutyryl)- methyl ester tetrahydrate","","- C47 H70 N8 O13 -","- C47 H70 N8 O13 -","- C94 H140 N16 O26 -","2","2","","Subrayashastry Aravinda; Narayanaswamy Shamala; Chittaranjan Das; Arumugam Sriranjini; Isabella L. Karle; Padmanabhan Balaram","Aromatic-Aromatic Interactions in Crystal Structures of Helical Peptide Scaffolds Containing Projecting Phenylalanine Residues","Journal of the American Chemical Society","2003","125","","5308","5315","10.1021/ja0341283","","","0.71073","MoKα","","0.2345","0.0768","","","0.1858","0.2712","","","","","","0.733","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113720","7.6255","0.0012","13.059","0.005","14.3703","0.001","90","","90.79","0.011","90","","1430.9","0.6","213","","213","","","","","","","","see paper","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H19 Cl3 Cr N S2 -","- C10.6667 H25.3333 Cl4 Cr1.33333 N1.33333 S2.66667 -","- C32 H76 Cl12 Cr4 N4 S8 -","3","0.75","","David S. McGuinness; Peter Wasserscheid; Wilhelm Keim; David Morgan; John T. Dixon; Annette Bollmann; Hulisani Maumela; Fiona Hess; Ulli Englert","First Cr(III)-SNS Complexes and Their Use as Highly Efficient Catalysts for the Trimerization of Ethylene to 1-Hexene","Journal of the American Chemical Society","2003","125","","5272","5273","10.1021/ja034752f","","","0.71073","Mo-Kα","","0.0351","0.0309","","","0.0832","0.0857","","","","","","1.074","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113721","10.4525","0.0006","25.533","0.0016","13.6438","0.0008","90","","92.539","0.002","90","","3637.7","0.4","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,4-disila-1,4-dihydropentalene","1,4-disila-1,4-dihydropentalene","","- C98 H72 Si2 -","- C98 H72 Si2 -","- C196 H144 Si4 -","2","0.5","","Irina S. Toulokhonova; Thomas C. Stringfellow; Sergei A. Ivanov; Artem Masunov; Robert West","A Disilapentalene and a Stable Diradical from the Reaction of a Dilithiosilole with a Dichlorocyclopropene","Journal of the American Chemical Society","2003","125","","5767","5773","10.1021/ja020763h","","","0.71073","MoKα","","0.1507","0.0588","","","0.1333","0.1681","","","","","","0.923","","","","has coordinates,has disorder","178908","2020-10-21","18:00:00",""
"4113722","21.593","0.003","14.056","0.003","16.127","0.003","90","","130.54","0.005","90","","3719.8","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H25 Cu F12 N2 O4 -","- C41 H25 Cu F12 N2 O4 -","- C164 H100 Cu4 F48 N8 O16 -","4","0.5","","Shijun Zheng; Jie Lan; Saeed I. Khan; Yves Rubin","Synthesis, Characterization, and Coordination Chemistry of the 2-Azaphenalenyl Radical","Journal of the American Chemical Society","2003","125","","5786","5791","10.1021/ja029236o","","","0.71073","MoKα","","0.1711","0.0611","","","0.123","0.153","","","","","","0.888","","","","has coordinates,has disorder","178908","2020-10-21","18:00:00",""
"4113723","8.546","0.001","8.55","0.001","11.194","0.001","67.59","0.01","67.63","0.01","59.99","0.01","636.09","0.14","295","2","295","2","","","","","","","","6","P 1","P 1","1","","","","- Cs2 H12 Na2 O25 V2 W4 -","- Cs2 Na2 O25 V2 W4 -","- Cs2 Na2 O25 V2 W4 -","1","1","","Wenlin Huang; Louis Todaro; Lynn C. Francesconi; Tatyana Polenova","51V Magic Angle Spinning NMR Spectroscopy of Six-Coordinate Lindqvist Oxoanions: A Sensitive Probe for the Electronic Environment in Vanadium-Containing Polyoxometalates. Counterions Dictate the 51V Fine Structure Constants in Polyoxometalate Solids","Journal of the American Chemical Society","2003","125","","5928","5938","10.1021/ja029246p","","","","CuKα","","0.052","","","","","0.0684","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113724","30.135","0.007","18.377","0.002","27.279","0.004","90","","112.4","0.02","90","","13967","5","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H108 N3 O19 V2 W4 -","- C48 H108 N3 O19 W6 -","- C384 H864 N24 O152 W48 -","8","1","","Wenlin Huang; Louis Todaro; Lynn C. Francesconi; Tatyana Polenova","51V Magic Angle Spinning NMR Spectroscopy of Six-Coordinate Lindqvist Oxoanions: A Sensitive Probe for the Electronic Environment in Vanadium-Containing Polyoxometalates. Counterions Dictate the 51V Fine Structure Constants in Polyoxometalate Solids","Journal of the American Chemical Society","2003","125","","5928","5938","10.1021/ja029246p","","","","CuKα","","0.063","","","","","0.072","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113725","30.09","0.006","18.39","0.003","31.967","0.006","90","","128.1","0.02","90","","13920","6","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H108 N3 O19 V W5 -","- C47 N3 O19 W6 -","- C376 N24 O152 W48 -","8","1","","Wenlin Huang; Louis Todaro; Lynn C. Francesconi; Tatyana Polenova","51V Magic Angle Spinning NMR Spectroscopy of Six-Coordinate Lindqvist Oxoanions: A Sensitive Probe for the Electronic Environment in Vanadium-Containing Polyoxometalates. Counterions Dictate the 51V Fine Structure Constants in Polyoxometalate Solids","Journal of the American Chemical Society","2003","125","","5928","5938","10.1021/ja029246p","","","","CuKα","","0.078","","","","","0.094","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113726","23.707","0.007","7.05","0.004","13.174","0.007","90","","119.69","0.04","90","","1912.8","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 N2 O4 -","- C9 H9 N2 O4 -","- C72 H72 N16 O32 -","8","1","","Ajay Mandal; Donald Hilvert","Charge Optimization Increases the Potency and Selectivity of a Chorismate Mutase Inhibitor","Journal of the American Chemical Society","2003","125","","5598","5599","10.1021/ja029447t","","","0.71069","MoKα","","0.2672","0.2676","","","0.6371","0.6819","","","","","","6.823","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113727","16.02","0.02","37.29","0.05","18.85","0.03","90","","90.33","0.01","90","","11261","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C97 H126 Cl9 O9.5 -","- C97 H123 Cl9 O9.5 -","- C388 H492 Cl36 O38 -","4","1","","Philip R. A. Webber; Paul D. Beer; George Z. Chen; Vitor Felix; Michael G. B. Drew","Bis(calix[4]diquinone) Receptors: Cesium- and Rubidium-Selective Redox-Active Ionophores","Journal of the American Chemical Society","2003","125","","5774","5785","10.1021/ja029740t","","","0.71073","MoKα","","0.1301","0.0984","","","0.3008","0.3167","","","","","","1.162","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113728","13.5","0.02","14.06","0.02","14.01","0.02","116.736","0.01","99.688","0.01","105.312","0.01","2160","5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C90 H106 O16 S4 -","- C90 H106 O16 S4 -","- C90 H106 O16 S4 -","1","0.5","","Philip R. A. Webber; Paul D. Beer; George Z. Chen; Vitor Felix; Michael G. B. Drew","Bis(calix[4]diquinone) Receptors: Cesium- and Rubidium-Selective Redox-Active Ionophores","Journal of the American Chemical Society","2003","125","","5774","5785","10.1021/ja029740t","","","0.71073","MoKα","","0.3841","0.1218","","","0.3081","0.4148","","","","","","0.92","","","","has coordinates,has disorder","178908","2020-10-21","18:00:00",""
"4113729","15.7732","0.0011","8.2243","0.0006","20.9941","0.0015","90","","91.6882","0.0014","90","","2722.2","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 Cl3 N P Rh -","- C26 H40 Cl3 N P Rh -","- C104 H160 Cl12 N4 P4 Rh4 -","4","1","","Mark Stradiotto; Judy Cipot; Robert McDonald","A Catalytically Active, Charge-Neutral Rh(I) Zwitterion Featuring a P,N-Substituted ""Naked"" Indenide Ligand","Journal of the American Chemical Society","2003","125","","5618","5619","10.1021/ja034543v","","","0.71073","MoKα","","0.0359","0.0328","","","0.085","0.0874","","","","","","1.019","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113730","9.4626","0.0005","12.2347","0.0006","12.9606","0.0006","77.6417","0.0009","73.6","0.0009","82.7989","0.0009","1402.69","0.12","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H42 B F4 N O P Rh -","- C28 H42 B F4 N O P Rh -","- C56 H84 B2 F8 N2 O2 P2 Rh2 -","2","1","","Mark Stradiotto; Judy Cipot; Robert McDonald","A Catalytically Active, Charge-Neutral Rh(I) Zwitterion Featuring a P,N-Substituted ""Naked"" Indenide Ligand","Journal of the American Chemical Society","2003","125","","5618","5619","10.1021/ja034543v","","","0.71073","MoKα","","0.0421","0.0355","","","0.0842","0.0871","","","","","","1.047","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113731","9.7054","0.0006","16.985","0.001","14.5743","0.0009","90","","109.392","0.001","90","","2266.2","0.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 N P Rh -","- C25 H37 N P Rh -","- C100 H148 N4 P4 Rh4 -","4","1","","Mark Stradiotto; Judy Cipot; Robert McDonald","A Catalytically Active, Charge-Neutral Rh(I) Zwitterion Featuring a P,N-Substituted ""Naked"" Indenide Ligand","Journal of the American Chemical Society","2003","125","","5618","5619","10.1021/ja034543v","","","0.71073","MoKα","","0.0396","0.0329","","","0.0825","0.0861","","","","","","1.083","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113732","18.789","0.003","14.249","0.003","24.539","0.004","90","","106.697","0.011","90","","6293","2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H54 B Br2 F20 N2 Sc -","- C66 H54 B Br2 F20 N2 Sc -","- C264 H216 B4 Br8 F80 N8 Sc4 -","4","1","","Paul G. Hayes; Warren E. Piers; Masood Parvez","Cationic Organoscandium β-Diketiminato Chemistry: Arene Exchange Kinetics in Solvent Separated Ion Pairs","Journal of the American Chemical Society","2003","125","","5622","5623","10.1021/ja034680s","","","0.71073","MoKα","","0.1072","0.0533","","","0.1289","0.1608","","","","","","1.014","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113733","18.9115","0.0004","14.0831","0.0003","24.6274","0.0006","90","","107.057","0.0009","90","","6270.6","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C67 H57 B Br F20 N2 Sc -","- C67 H57 B Br F20 N2 Sc -","- C268 H228 B4 Br4 F80 N8 Sc4 -","4","1","","Paul G. Hayes; Warren E. Piers; Masood Parvez","Cationic Organoscandium β-Diketiminato Chemistry: Arene Exchange Kinetics in Solvent Separated Ion Pairs","Journal of the American Chemical Society","2003","125","","5622","5623","10.1021/ja034680s","","","0.71073","MoKα","","0.1042","0.0558","","","0.1303","0.1559","","","","","","1.015","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113734","11.844","0.0006","13.462","0.0007","13.775","0.0008","69.734","0.003","64.789","0.004","72.747","0.004","1835.14","0.18","298","","","","","","","","","","Aida laboratory","4","P -1","-P 1","2","","","","- C50 H44 Fe N2 -","- C50 H44 Fe N2 -","- C100 H88 Fe2 N4 -","2","1","","Takahiro Muraoka; Kazushi Kinbara; Yuka Kobayashi; Takuzo Aida","Light-Driven Open-Close Motion of Chiral Molecular Scissors","Journal of the American Chemical Society","2003","125","","5612","5613","10.1021/ja034994f","","","0.71073","MoKa","","","0.058","","","","0.086","","","","","","0.901","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113735","5.9175","","17.806","0.0001","15.1418","0.0001","90","","93.1104","0.0006","90","","1593.1","0.014","173.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 O -","- C24 H12 O -","- C96 H48 O4 -","4","1","","Yoshito Tobe; Ichiro Ohki; Motohiro Sonoda; Hiroyuki Niino; Tadatake Sato; Tomonari Wakabayashi","Generation and Characterization of Highly Strained Dibenzotetrakisdehydro[12]annulene","Journal of the American Chemical Society","2003","125","","5614","5615","10.1021/ja035079x","","","0.7107","MoKα","","","0.0406","","","","0.1003","","","","","","0.76","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113736","10.7535","0.0005","14.7011","0.0007","18.2911","0.0009","90","","106.986","0.001","90","","2765.5","0.2","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 Li O7 -","- C31 H33 Li O7 -","- C124 H132 Li4 O28 -","4","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.0474","0.0323","","","0.0781","0.085","","","","","","1.021","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113737","29.155","0.004","37.198","0.004","10.5835","0.0014","90","","90","","90","","11478","3","273","2","273","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C65 H64 Na2 O11 -","- C65 H64 Na2 O11 -","- C520 H512 Na16 O88 -","8","0.5","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.1331","0.1016","","","0.2087","0.2236","","","","","","1.203","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113738","18.1392","0.0007","18.9515","0.0007","7.4377","0.0003","90","","90","","90","","2556.82","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H31 O5 Rb -","- C32 H31 O5 Rb -","- C128 H124 O20 Rb4 -","4","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.0378","0.0318","","","0.0676","0.0691","","","","","","0.96","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113739","7.4016","0.0007","19.4783","0.0017","18.4508","0.0016","90","","97.882","0.002","90","","2634.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 Cs O5 -","- C31 H26 Cs O5 -","- C124 H104 Cs4 O20 -","4","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.0409","0.0367","","","0.1171","0.1221","","","","","","1.015","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113740","13.0013","0.0006","13.0013","0.0006","18.2767","0.0012","90","","90","","90","","3089.4","0.3","128","2","128","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C64 H95 O9 Rb -","- C60 H84 O8 Rb -","- C120 H168 O16 Rb2 -","2","0.25","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.0878","0.0606","","","0.1583","0.1727","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113741","12.0435","0.0008","18.8487","0.0012","22.2687","0.0014","90","","104.437","0.001","90","","4895.5","0.5","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H54 Cl3 Li O9 -","- C52 H54 Cl3 Li O9 -","- C208 H216 Cl12 Li4 O36 -","4","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.1441","0.081","","","0.2017","0.2339","","","","","","0.993","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113742","15.693","0.002","20.271","0.003","24.076","0.003","90","","90","","90","","7658.9","1.8","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C45 H45 Cs O9 -","- C45 H41 Cs O9 -","- C360 H328 Cs8 O72 -","8","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.1982","0.1039","","","0.229","0.2912","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113743","14.6363","0.0012","24.9037","0.0019","15.0403","0.0012","90","","108.012","0.001","90","","5213.5","0.7","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H65 K2 O12 -","- C54 H65 K2 O12 -","- C216 H260 K8 O48 -","4","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.0725","0.0506","","","0.1362","0.1494","","","","","","1.04","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113744","14.3918","0.0008","25.2018","0.0015","15.1928","0.0009","90","","107.453","0.001","90","","5256.7","0.5","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H65 O12 Rb2 -","- C54 H65 O12 Rb2 -","- C216 H260 O48 Rb8 -","4","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.0532","0.036","","","0.0943","0.1002","","","","","","0.925","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113745","14.4144","0.0011","25.3537","0.0019","15.1924","0.0012","90","","107.715","0.001","90","","5288.9","0.7","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H58 Cl2 Cs2 O12 -","- C56 H50 Cl Cs2 O12 -","- C224 H200 Cl4 Cs8 O48 -","4","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.1306","0.0996","","","0.3185","0.3379","","","","","","1.315","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113746","14.5123","0.0008","24.7889","0.0013","14.8909","0.0008","90","","107.954","0.001","90","","5096.1","0.5","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H72 K O12 Rb -","- C48 H52 K O11 Rb -","- C192 H208 K4 O44 Rb4 -","4","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.0811","0.0644","","","0.1607","0.1707","","","","","","0.891","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113747","13.668","0.003","22.379","0.005","20.881","0.004","90","","100.354","0.004","90","","6283","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H78 Li2 O10 -","- C56 H78 Li2 O10 -","- C224 H312 Li8 O40 -","4","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.1601","0.1052","","","0.2777","0.3187","","","","","","1.088","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113748","14.2184","0.001","11.3149","0.0008","16.9918","0.0012","90","","94.405","0.001","90","","2725.6","0.3","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 Cl3 O4 -","- C30 H27 Cl3 O4 -","- C120 H108 Cl12 O16 -","4","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.102","0.0869","","","0.2477","0.2633","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113749","38.098","0.005","38.098","0.005","9.47","0.0019","90","","90","","90","","13745","4","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C54 H67 N5 Ni O12 -","- C54 H45 N5 Ni O12 -","- C432 H360 N40 Ni8 O96 -","8","1","","Yong Cui; Suk Joong Lee; Wenbin Lin","Interlocked Chiral Nanotubes Assembled from Quintuple Helices","Journal of the American Chemical Society","2003","125","","6014","6015","10.1021/ja029926s","","","0.71073","MoKα","","0.1736","0.1077","","","0.2691","0.3109","","","","","","1.045","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113750","38.031","0.005","38.031","0.005","9.4952","0.0019","90","","90","","90","","13733","4","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C58 H72 N4 Ni O15 -","- C58 H36 N4 Ni O14.5 -","- C464 H288 N32 Ni8 O116 -","8","1","","Yong Cui; Suk Joong Lee; Wenbin Lin","Interlocked Chiral Nanotubes Assembled from Quintuple Helices","Journal of the American Chemical Society","2003","125","","6014","6015","10.1021/ja029926s","","","0.71073","MoKα","","0.1726","0.1479","","","0.344","0.3616","","","","","","1.23","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113751","34.981","0.004","34.981","0.004","34.981","0.004","90","","90","","90","","42805","8","293","2","293","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","UCR-8ZnIn-DBA","","","- C208 H520 In48 N26 S97 Zn12 -","- In48 S97 Zn12 -","- In192 S388 Zn48 -","4","0.0833333","","Xianhui Bu; Nanfeng Zheng; Yuqi Li; Pingyun Feng","Templated Assembly of Sulfide Nanoclusters into Cubic-C3N4 Type Framework","Journal of the American Chemical Society","2003","125","","6024","6025","10.1021/ja030103s","","","0.71073","MoKα","","0.1077","0.0611","","","0.1691","0.1874","","","","","","1.126","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113752","35.194","0.008","35.194","0.008","35.194","0.008","90","","90","","90","","43592","17","293","2","293","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","UCR-8CdInS-DBA","","","- C208 H520 Cd12 In48 N26 S97 -","- Cd12 In48 S97 -","- Cd48 In192 S388 -","4","0.0833333","","Xianhui Bu; Nanfeng Zheng; Yuqi Li; Pingyun Feng","Templated Assembly of Sulfide Nanoclusters into Cubic-C3N4 Type Framework","Journal of the American Chemical Society","2003","125","","6024","6025","10.1021/ja030103s","","","0.71073","MoKα","","0.1169","0.0879","","","0.1494","0.1573","","","","","","1.085","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113753","35.002","0.003","35.002","0.003","35.002","0.003","90","","90","","90","","42882","6","293","2","293","2","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","UCR-8CoInS-DBA","","","- Co12 In48 S97 -","- Co12 In48 S97 -","- Co48 In192 S388 -","4","0.0833333","","Xianhui Bu; Nanfeng Zheng; Yuqi Li; Pingyun Feng","Templated Assembly of Sulfide Nanoclusters into Cubic-C3N4 Type Framework","Journal of the American Chemical Society","2003","125","","6024","6025","10.1021/ja030103s","","","0.71073","MoKα","","0.1067","0.0675","","","0.1923","0.2321","","","","","","1.124","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113754","35.09","0.004","35.09","0.004","35.09","0.004","90","","90","","90","","43207","9","293","2","293","2","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","UCR-8FeInS-DBA","","","- Fe12 In48 S97 -","- Fe12 In48 S97 -","- Fe48 In192 S388 -","4","0.0833333","","Xianhui Bu; Nanfeng Zheng; Yuqi Li; Pingyun Feng","Templated Assembly of Sulfide Nanoclusters into Cubic-C3N4 Type Framework","Journal of the American Chemical Society","2003","125","","6024","6025","10.1021/ja030103s","","","0.71073","MoKα","","0.1111","0.0641","","","0.1879","0.2194","","","","","","1.063","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113755","13.2046","0.0014","18.5828","0.0018","23.711","0.002","90","","96.537","0.002","90","","5780.3","1","218","2","218","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H51 B Cu F20 N5 O -","- C55 H39 B Cu F20 N5 O -","- C220 H156 B4 Cu4 F80 N20 O4 -","4","1","","Kaliappan Kamaraj; Eunsuk Kim; Benedikt Galliker; Lev N. Zakharov; Arnold L. Rheingold; Andreas D. Zuberbühler; Kenneth D. Karlin","Copper(I) and Copper(II) Complexes Possessing Cross-Linked Imidazole-Phenol Ligands: Structures and Dioxygen Reactivity","Journal of the American Chemical Society","2003","125","","6028","6029","10.1021/ja034263f","","","0.71073","MoKα","","0.0981","0.0721","","","0.1692","0.1827","","","","","","1.095","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113756","9.2032","0.0005","10.0234","0.0006","19.8969","0.0011","88.543","0.001","78.863","0.001","63.471","0.001","1607.38","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H39 Cl2 Cu N4 O10 -","- C27 H31 Cl2 Cu N4 O10 -","- C54 H62 Cl4 Cu2 N8 O20 -","2","1","","Kaliappan Kamaraj; Eunsuk Kim; Benedikt Galliker; Lev N. Zakharov; Arnold L. Rheingold; Andreas D. Zuberbühler; Kenneth D. Karlin","Copper(I) and Copper(II) Complexes Possessing Cross-Linked Imidazole-Phenol Ligands: Structures and Dioxygen Reactivity","Journal of the American Chemical Society","2003","125","","6028","6029","10.1021/ja034263f","","","0.71073","MoKα","","0.0711","0.0567","","","0.1535","0.1633","","","","","","1.046","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113757","16.0283","0.001","17.9861","0.0011","21.9398","0.0013","75.215","0.001","87.183","0.001","77.61","0.001","5973","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C130 H124 B2 Cu2 F40 N10 O2 -","- C110 H76 B2 Cu2 F40 N10 O2 -","- C220 H152 B4 Cu4 F80 N20 O4 -","2","1","","Kaliappan Kamaraj; Eunsuk Kim; Benedikt Galliker; Lev N. Zakharov; Arnold L. Rheingold; Andreas D. Zuberbühler; Kenneth D. Karlin","Copper(I) and Copper(II) Complexes Possessing Cross-Linked Imidazole-Phenol Ligands: Structures and Dioxygen Reactivity","Journal of the American Chemical Society","2003","125","","6028","6029","10.1021/ja034263f","","","0.71073","MoKα","","0.0937","0.0709","","","0.1741","0.1835","","","","","","1.092","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113758","28.432","0.002","13.0358","0.001","17.1962","0.0013","90","","90.972","0.001","90","","6372.6","0.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H82 Cl2 Cu2 N12 O10 -","- C60 H82 Cl2 Cu2 N12 O10 -","- C240 H328 Cl8 Cu8 N48 O40 -","4","0.5","","Kaliappan Kamaraj; Eunsuk Kim; Benedikt Galliker; Lev N. Zakharov; Arnold L. Rheingold; Andreas D. Zuberbühler; Kenneth D. Karlin","Copper(I) and Copper(II) Complexes Possessing Cross-Linked Imidazole-Phenol Ligands: Structures and Dioxygen Reactivity","Journal of the American Chemical Society","2003","125","","6028","6029","10.1021/ja034263f","","","0.71073","MoKα","","0.0701","0.0549","","","0.1632","0.1785","","","","","","1.19","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113759","9.8536","0.0011","34.001","0.004","14.7391","0.0016","90","","94.502","0.003","90","","4922.8","1","233","2","233","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 B2 Co F15 N6 O2 -","- C45 H46 B2 Co F15 N6 O2 -","- C180 H184 B8 Co4 F60 N24 O8 -","4","1","","Catherine Bergquist; Tauqir Fillebeen; Melissa M. Morlok; Gerard Parkin","Protonation and Reactivity towards Carbon Dioxide of the Mononuclear Tetrahedral Zinc and Cobalt Hydroxide Complexes, [TpBut,Me]ZnOH and [TpBut,Me]CoOH: Comparison of the Reactivity of the Metal Hydroxide Function in Synthetic Analogues of Carbonic Anhydrase","Journal of the American Chemical Society","2003","125","","6189","6199","10.1021/ja034711j","","","0.71073","MoKα","","0.0763","0.0468","","","0.1088","0.1203","","","","","","1.032","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113760","19.096","0.003","14.431","0.002","24.382","0.004","90","","95.035","0.004","90","","6693.1","1.8","238","2","238","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H92 B2 Co2 N12 O3 -","- C61 H92 B2 Co2 N12 O3 -","- C244 H368 B8 Co8 N48 O12 -","4","1","","Catherine Bergquist; Tauqir Fillebeen; Melissa M. Morlok; Gerard Parkin","Protonation and Reactivity towards Carbon Dioxide of the Mononuclear Tetrahedral Zinc and Cobalt Hydroxide Complexes, [TpBut,Me]ZnOH and [TpBut,Me]CoOH: Comparison of the Reactivity of the Metal Hydroxide Function in Synthetic Analogues of Carbonic Anhydrase","Journal of the American Chemical Society","2003","125","","6189","6199","10.1021/ja034711j","","","0.71073","MoKα","","0.3571","0.0766","","","0.0793","0.1046","","","","","","1.008","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113761","9.5712","0.0008","30.523","0.002","9.5763","0.0007","90","","100.91","0.001","90","","2747.1","0.4","238","2","238","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 B Co N6 O -","- C24 H38 B Co N6 O -","- C96 H152 B4 Co4 N24 O4 -","4","1","","Catherine Bergquist; Tauqir Fillebeen; Melissa M. Morlok; Gerard Parkin","Protonation and Reactivity towards Carbon Dioxide of the Mononuclear Tetrahedral Zinc and Cobalt Hydroxide Complexes, [TpBut,Me]ZnOH and [TpBut,Me]CoOH: Comparison of the Reactivity of the Metal Hydroxide Function in Synthetic Analogues of Carbonic Anhydrase","Journal of the American Chemical Society","2003","125","","6189","6199","10.1021/ja034711j","","","0.71073","MoKα","","0.1414","0.057","","","0.1237","0.1536","","","","","","1.023","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113762","9.8138","0.0007","33.873","0.003","14.7045","0.0011","90","","94.476","0.001","90","","4873.2","0.7","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 B2 F15 N6 O2 Zn -","- C45 H46 B2 F15 N6 O2 Zn -","- C180 H184 B8 F60 N24 O8 Zn4 -","4","1","","Catherine Bergquist; Tauqir Fillebeen; Melissa M. Morlok; Gerard Parkin","Protonation and Reactivity towards Carbon Dioxide of the Mononuclear Tetrahedral Zinc and Cobalt Hydroxide Complexes, [TpBut,Me]ZnOH and [TpBut,Me]CoOH: Comparison of the Reactivity of the Metal Hydroxide Function in Synthetic Analogues of Carbonic Anhydrase","Journal of the American Chemical Society","2003","125","","6189","6199","10.1021/ja034711j","","","0.71073","MoKα","","0.0862","0.0499","","","0.1015","0.1141","","","","","","1.032","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113763","21.628","0.004","10.97","0.002","20.463","0.004","90","","112.08","0.03","90","","4499","1.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H35 N P2 Rh -","- C20 H35 N P2 Rh -","- C160 H280 N8 P16 Rh8 -","8","1","","Revital Cohen; Boris Rybtchinski; Mark Gandelman; Haim Rozenberg; Jan M. L. Martin; David Milstein","Metallacarbenes from Diazoalkanes: An Experimental and Computational Study of the Reaction Mechanism","Journal of the American Chemical Society","2003","125","","6532","6546","10.1021/ja028923c","","","0.71073","MoKα","","0.0445","0.0292","","","0.0621","0.0652","","","","","","1.051","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113764","6.1545","0.0006","8.305","0.0009","20.807","0.002","90","","90","","90","","1063.51","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 N O5 -","- C8 H15 N O5 -","- C32 H60 N4 O20 -","4","1","","Cara L. Jenkins; Lynn E. Bretscher; Ilia A. Guzei; Ronald T. Raines","Effect of 3-Hydroxyproline Residues on Collagen Stability","Journal of the American Chemical Society","2003","125","","6422","6427","10.1021/ja034015j","","","0.71073","MoKα","","0.0401","0.0369","","","0.0953","0.0975","","","","","","1.051","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113765","36.301","0.007","25.675","0.005","23.956","0.005","90","","93.81","0.03","90","","22278","8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53.5 H39 B2 Cl F24 Fe O2 -","- C53.5 H39 B2 Cl F24 Fe O2 -","- C856 H624 B32 Cl16 F384 Fe16 O32 -","16","2","","Deborah L. Coombs; Simon Aldridge; Cameron Jones; David J. Willock","Cationic Terminal Borylenes by Halide Abstraction: Synthesis and Spectroscopic and Structural Characterization of an FeB Double Bond","Journal of the American Chemical Society","2003","125","","6356","6357","10.1021/ja0346936","","","0.71073","MoKα","","0.1679","0.0888","","","0.1974","0.2356","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113766","5.9959","0.0001","8.56","0.0001","19.37","0.002","90","","90","","90","","994.16","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-benzoyliminopyridinium ylide","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","","Claude Legault; André B. Charette","Complexation Promoted Additions to N-Benzoyliminopyridinium Ylides. A Novel and Highly Regioselective Approach to Polysubstituted Piperidines","Journal of the American Chemical Society","2003","125","","6360","6361","10.1021/ja0348647","","","1.54178","CuKα","","0.0349","0.0316","","0.0877","","0.0861","","","1.047","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113767","8.849","0.003","17.062","0.015","9.952","0.008","90","","90","","90","","1502.6","1.9","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","compound 2e","","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C64 H88 N8 O4 -","4","1","","Claude Legault; André B. Charette","Complexation Promoted Additions to N-Benzoyliminopyridinium Ylides. A Novel and Highly Regioselective Approach to Polysubstituted Piperidines","Journal of the American Chemical Society","2003","125","","6360","6361","10.1021/ja0348647","","","1.54056","CuKα","","0.1144","0.0977","","0.2399","","0.2242","","","0.953","","","1.105","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113768","7.4249","0.0009","7.4721","0.0009","12.1184","0.0015","90","","99.879","0.002","90","","662.35","0.14","213","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 Br O3 -","- C13 H19 Br O3 -","- C26 H38 Br2 O6 -","2","1","","Do Hyun Ryu; E. J. Corey","Triflimide Activation of a Chiral Oxazaborolidine Leads to a More General Catalytic System for Enantioselective Diels-Alder Addition","Journal of the American Chemical Society","2003","125","","6388","6390","10.1021/ja035393r","","","0.71073","MoKα","","0.0441","0.0374","","","0.0901","0.0935","","","","","","1.004","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113769","9.2413","0.0011","6.7008","0.0008","19.746","0.002","90","","100.454","0.002","90","","1202.5","0.2","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 I O3 -","- C12 H13 I O3 -","- C48 H52 I4 O12 -","4","2","","Do Hyun Ryu; E. J. Corey","Triflimide Activation of a Chiral Oxazaborolidine Leads to a More General Catalytic System for Enantioselective Diels-Alder Addition","Journal of the American Chemical Society","2003","125","","6388","6390","10.1021/ja035393r","","","0.71073","MoKα","","0.0356","0.0342","","","0.0895","0.0905","","","","","","1.039","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113770","8.293","0.002","8.293","0.002","39.167","0.014","90","","90","","90","","2693.7","1.3","213","2","213","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C14 H15 I O2 -","- C14 H15 I O2 -","- C112 H120 I8 O16 -","8","1","","Do Hyun Ryu; E. J. Corey","Triflimide Activation of a Chiral Oxazaborolidine Leads to a More General Catalytic System for Enantioselective Diels-Alder Addition","Journal of the American Chemical Society","2003","125","","6388","6390","10.1021/ja035393r","","","0.71073","MoKα","","0.048","0.0458","","","0.1122","0.1134","","","","","","1.181","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113771","8.391","0.005","9.318","0.006","21.46","0.02","86.59","0.02","81.85","0.02","65.66","0.01","1513.3","1.9","173.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H37 N3 O5 Ru -","- C32 N3 O5 Ru -","- C64 N6 O10 Ru2 -","2","1","","Katsuaki Kobayashi; Hideki Ohtsu; Tohru Wada; Tatsuhisa Kato; Koji Tanaka","Characterization of a Stable Ruthenium Complex with an Oxyl Radical","Journal of the American Chemical Society","2003","125","","6729","6739","10.1021/ja0211510","","","0.7107","MoKα","","","0.05","","","","0.073","","","","","","1.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113772","10.989","0.002","11.062","0.002","15.058","0.002","91.681","0.004","103.517","0.005","109.252","0.006","1668.9","0.5","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H31 Cl2 N3 O12 Ru -","- C29 Cl2 N3 O12 Ru -","- C58 Cl4 N6 O24 Ru2 -","2","1","","Katsuaki Kobayashi; Hideki Ohtsu; Tohru Wada; Tatsuhisa Kato; Koji Tanaka","Characterization of a Stable Ruthenium Complex with an Oxyl Radical","Journal of the American Chemical Society","2003","125","","6729","6739","10.1021/ja0211510","","","0.7107","MoKα","","","0.064","","","","0.074","","","","","","1.605","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113773","24.688","0.002","24.688","0.002","10.0934","0.0009","90","","90","","90","","6151.9","0.9","173.1","","","","","","","","","","","5","I -4","I -4","82","","","","- C29 H31 N3 O6 Ru -","- C29 N3 O6 Ru -","- C232 N24 O48 Ru8 -","8","1","","Katsuaki Kobayashi; Hideki Ohtsu; Tohru Wada; Tatsuhisa Kato; Koji Tanaka","Characterization of a Stable Ruthenium Complex with an Oxyl Radical","Journal of the American Chemical Society","2003","125","","6729","6739","10.1021/ja0211510","","","0.7107","MoKα","","","0.048","","","","0.057","","","","","","0.855","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113774","10.158","0.0006","18.8852","0.0015","10.8306","0.0006","90","","92.105","0.005","90","","2076.3","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H32 N4 O2 -","- C20 H32 N4 O2 -","- C80 H128 N16 O8 -","4","2","","Jorge Becerril; Michael Bolte; M. Isabel Burguete; Francisco Galindo; Enrique García-España; Santiago V. Luis; Juan F. Miravet","Efficient Macrocyclization of U-Turn Preorganized Peptidomimetics: The Role of Intramolecular H-Bond and Solvophobic Effects","Journal of the American Chemical Society","2003","125","","6677","6686","10.1021/ja0284759","","","0.71073","MoKα","","0.053","0.038","","","0.0659","0.069","","","","","","0.913","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113775","12.8471","0.0007","13.0727","0.0007","13.0765","0.0007","113.78","0.002","95.372","0.002","112.184","0.002","1780.87","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","3PhPy*Cd(NO3)2","Bis(nitrato-O,O)tris(4-phenylpyridine)cadmium(II) bis(acetonitrile solvate)","","- C37 H33 Cd N7 O6 -","- C37 H33 Cd N7 O6 -","- C74 H66 Cd2 N14 O12 -","2","1","","Andrei N. Khlobystov; Matthew T. Brett; Alexander J. Blake; Neil R. Champness; Peter M. W. Gill; Darragh P. O'Neill; Simon J. Teat; Claire Wilson; Martin Schröder","Stereoselective Association of Binuclear Metallacycles in Coordination Polymers","Journal of the American Chemical Society","2003","125","","6753","6761","10.1021/ja029048y","","","0.71073","MoKα","","0.0256","0.0237","","","0.0652","0.0661","","","","","","1.048","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113776","7.8735","0.0007","8.1441","0.0007","12.9572","0.0011","78.804","0.001","78.681","0.001","68.581","0.001","751.56","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","2{2,4-Bipy*(MeCN)Cd(NO3)2}","Bis[acetonitrile(2,4-Bipyridine)bis(nitrato)]dicadmium(II)","","- C24 H22 Cd2 N10 O12 -","- C24 H22 Cd2 N10 O12 -","- C24 H22 Cd2 N10 O12 -","1","0.5","","Andrei N. Khlobystov; Matthew T. Brett; Alexander J. Blake; Neil R. Champness; Peter M. W. Gill; Darragh P. O'Neill; Simon J. Teat; Claire Wilson; Martin Schröder","Stereoselective Association of Binuclear Metallacycles in Coordination Polymers","Journal of the American Chemical Society","2003","125","","6753","6761","10.1021/ja029048y","","","0.71073","MoKα","","0.0302","0.0251","","","0.0552","0.0615","","","","","","1.033","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113777","8.992","0.004","10.657","0.006","10.684","0.006","77.01","0.06","74.64","0.06","88.29","0.07","961.5","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","2{Cd(NO3)2*i-BBP*MeCN}","2,4'-Bispyridyl(1,4-phenylene) cadmium(II) bis(nitrate) bis(acetonitrile) complex","","- C36 H30 Cd2 N10 O12 -","- C36 H30 Cd2 N10 O12 -","- C36 H30 Cd2 N10 O12 -","1","0.5","","Andrei N. Khlobystov; Matthew T. Brett; Alexander J. Blake; Neil R. Champness; Peter M. W. Gill; Darragh P. O'Neill; Simon J. Teat; Claire Wilson; Martin Schröder","Stereoselective Association of Binuclear Metallacycles in Coordination Polymers","Journal of the American Chemical Society","2003","125","","6753","6761","10.1021/ja029048y","","","0.6942","Synchrotron","","0.0519","0.0414","","","0.0926","0.0962","","","","","","1.078","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113778","8.457","0.0013","9.581","0.002","12.026","0.002","88.117","0.002","88.678","0.003","82.132","0.002","964.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","2{L*Cd(NO3)2*DMF}","2-Pyridyl-4-pyridylacetylene Cadmium(II) bisnitrate complex dimethylformamide solvate","","- C30 H30 Cd2 N10 O14 -","- C30 H30 Cd2 N10 O14 -","- C30 H30 Cd2 N10 O14 -","1","0.5","","Andrei N. Khlobystov; Matthew T. Brett; Alexander J. Blake; Neil R. Champness; Peter M. W. Gill; Darragh P. O'Neill; Simon J. Teat; Claire Wilson; Martin Schröder","Stereoselective Association of Binuclear Metallacycles in Coordination Polymers","Journal of the American Chemical Society","2003","125","","6753","6761","10.1021/ja029048y","","","0.71073","MoKα","","0.0196","0.0185","","","0.0494","0.05","","","","","","1.026","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113779","26.583","0.005","8.143","0.0016","21.27","0.004","90","","117.11","0.03","90","","4098.4","1.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cd(NO3)2*Pyyne","1(4-Pyridyl)-4(2-pyridylethynyl)benzene Cadmium bisnitrate complex acetonitrile solvate","","- C20 H15 Cd N5 O6 -","- C20 H15 Cd N5 O6 -","- C160 H120 Cd8 N40 O48 -","8","1","","Andrei N. Khlobystov; Matthew T. Brett; Alexander J. Blake; Neil R. Champness; Peter M. W. Gill; Darragh P. O'Neill; Simon J. Teat; Claire Wilson; Martin Schröder","Stereoselective Association of Binuclear Metallacycles in Coordination Polymers","Journal of the American Chemical Society","2003","125","","6753","6761","10.1021/ja029048y","","","0.71073","MoKα","","0.043","0.0317","","","0.0868","0.0928","","","","","","1.061","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113780","8.3796","0.0009","8.4689","0.0009","12.8983","0.0014","83.743","0.002","76.014","0.002","85.366","0.002","881.51","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Cd(NO3)2*Bipyph","1-(4-Pyridyl)-4-(2-pyridylethynyl)benzene Cadmium(II) bisnitrate complex","","- C18 H12 Cd N4 O6 -","- C18 H12 Cd N4 O6 -","- C36 H24 Cd2 N8 O12 -","2","1","","Andrei N. Khlobystov; Matthew T. Brett; Alexander J. Blake; Neil R. Champness; Peter M. W. Gill; Darragh P. O'Neill; Simon J. Teat; Claire Wilson; Martin Schröder","Stereoselective Association of Binuclear Metallacycles in Coordination Polymers","Journal of the American Chemical Society","2003","125","","6753","6761","10.1021/ja029048y","","","0.71073","MoKα","","0.0486","0.0324","","","0.0658","0.0892","","","","","","0.991","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113781","13.277","0.0008","13.2606","0.0008","14.324","0.0008","90","","114.657","0.001","90","","2292","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bipy*Cd(NO3)2*i-PrOH","1-(4-Pyridyl)-4(2-pyridylethynyl)benzene cadmium(II) bisnitrate complex isopropanol solvate","","- C20.8 H19.6 Cd N4 O7 -","- C20.8 H18.4 Cd N4 O7 -","- C83.2 H73.6 Cd4 N16 O28 -","4","1","","Andrei N. Khlobystov; Matthew T. Brett; Alexander J. Blake; Neil R. Champness; Peter M. W. Gill; Darragh P. O'Neill; Simon J. Teat; Claire Wilson; Martin Schröder","Stereoselective Association of Binuclear Metallacycles in Coordination Polymers","Journal of the American Chemical Society","2003","125","","6753","6761","10.1021/ja029048y","","","0.71073","MoKα","","0.0562","0.0373","","","0.0966","0.1047","","","","","","1.036","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4113782","8.5354","0.0008","15.0114","0.0014","14.7187","0.0013","90","","99.674","0.002","90","","1859.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bipyph*Cd(NO3)2","1-(2-Pyridyl)-4-(4-pyridylethynyl)benzene cadmium(II) bisnitrate complex","","- C18 H12 Cd N4 O6 -","- C18 H12 Cd N4 O6 -","- C72 H48 Cd4 N16 O24 -","4","1","","Andrei N. Khlobystov; Matthew T. Brett; Alexander J. Blake; Neil R. Champness; Peter M. W. Gill; Darragh P. O'Neill; Simon J. Teat; Claire Wilson; Martin Schröder","Stereoselective Association of Binuclear Metallacycles in Coordination Polymers","Journal of the American Chemical Society","2003","125","","6753","6761","10.1021/ja029048y","","","0.71073","MoKα","","0.0596","0.0297","","","0.0455","0.0508","","","","","","0.856","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113783","38.754","0.008","10.189","0.002","8.479","0.0017","90","","102.13","0.03","90","","3273.3","1.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","2{Cd(NO3)2*2Pyyne*H2O}","bis{1-(4-ethynylpyridine)-4-(2-pyridyl)phenylene}cadmium(II) bisnitrate monohydrate","","- C36 H26 Cd N6 O7 -","- C36 H26 Cd N6 O7 -","- C144 H104 Cd4 N24 O28 -","4","1","","Andrei N. Khlobystov; Matthew T. Brett; Alexander J. Blake; Neil R. Champness; Peter M. W. Gill; Darragh P. O'Neill; Simon J. Teat; Claire Wilson; Martin Schröder","Stereoselective Association of Binuclear Metallacycles in Coordination Polymers","Journal of the American Chemical Society","2003","125","","6753","6761","10.1021/ja029048y","","","0.6892","synchrotron","","0.0525","0.0414","","","0.1073","0.1104","","","","","","1.028","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113784","15.384","0.002","15.384","0.002","25.386","0.005","90","","90","","90","","6008","1.6","203","2","203","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C0.5 H34 K10 O16.5 Se17 Sn4 Zn4 -","- C0.5 K10 O16.5 Se17 Sn4 Zn4 -","- C2 K40 O66 Se68 Sn16 Zn16 -","4","0.5","","Stefanie Dehnen; Michael K. Brandmayer","Reactivity of Chalcogenostannate Compounds: Syntheses, Crystal Structures, and Electronic Properties of Novel Compounds Containing Discrete Ternary Anions [MII4(μ4-Se)(SnSe4)4]10- (MII = Zn, Mn)","Journal of the American Chemical Society","2003","125","","6618","6619","10.1021/ja029601b","","","0.56087","AgKα","","0.0664","0.054","","","0.1104","0.1157","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113785","15.515","0.002","15.515","0.002","25.44","0.005","90","","90","","90","","6123.8","1.6","203","2","203","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C0.5 H34 K10 Mn4 O16.5 Se17 Sn4 -","- C0.5 K10 Mn4 O16.5 Se17 Sn4 -","- C2 K40 Mn16 O66 Se68 Sn16 -","4","0.5","","Stefanie Dehnen; Michael K. Brandmayer","Reactivity of Chalcogenostannate Compounds: Syntheses, Crystal Structures, and Electronic Properties of Novel Compounds Containing Discrete Ternary Anions [MII4(μ4-Se)(SnSe4)4]10- (MII = Zn, Mn)","Journal of the American Chemical Society","2003","125","","6618","6619","10.1021/ja029601b","","","0.56087","AgKα","","0.0868","0.0614","","","0.1493","0.1617","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113786","16.8292","0.0003","11.1616","0.0002","18.6043","0.0003","90","","101.781","0.0011","90","","3421.03","0.1","100","2","100","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C35 H30 Cl4 N2 O2 P2 Pt -","- C35 H30 Cl4 N2 O2 P2 Pt -","- C140 H120 Cl16 N8 O8 P8 Pt4 -","4","1","","Bernhard Breit; Wolfgang Seiche","Hydrogen Bonding as a Construction Element for Bidentate Donor Ligands in Homogeneous Catalysis: Regioselective Hydroformylation of Terminal Alkenes","Journal of the American Chemical Society","2003","125","","6608","6609","10.1021/ja0348997","","","0.71073","MoKα","","0.025","0.0205","","","0.0478","0.0496","","","","","","1.059","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113787","10.248","0.0015","6.4267","0.0009","14.835","0.002","90","","95.702","0.003","90","","972.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 Ag2 N4 O2 -","- C24 H14 Ag2 N4 O2 -","- C48 H28 Ag4 N8 O4 -","2","0.5","","Shao-Liang Zheng; Jie-Peng Zhang; Wing-Tak Wong; Xiao-Ming Chen","A Novel, Highly Electrical Conducting, Single-Component Molecular Material: [Ag2(ophen)2] (Hophen = 1H-[1,10]phenanthrolin-2-one)","Journal of the American Chemical Society","2003","125","","6882","6883","10.1021/ja029097a","","","0.71073","MoKα","","0.0454","0.032","","","0.0827","0.0874","","","","","","0.991","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113788","14.661","0.0016","14.9087","0.0016","23.734","0.003","107.173","0.002","105.122","0.002","93.121","0.003","4735.9","0.9","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C117 H115 N3 O5 -","- C117 H115 N3 O5 -","- C234 H230 N6 O10 -","2","1","","Christian Grave; Dieter Lentz; Andreas Schäfer; Paolo Samorì; Jürgen P. Rabe; Peter Franke; A. Dieter Schlüter","Shape-Persistant Macrocycles with Terpyridine Units: Synthesis, Characterization, and Structure in the Crystal","Journal of the American Chemical Society","2003","125","","6907","6918","10.1021/ja034029p","","","0.71073","MoKα","","0.1617","0.0839","","","0.2465","0.2869","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113789","9.287","0.003","22.591","0.007","27.042","0.008","101.705","0.007","93.268","0.008","99.724","0.007","5451","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C135 H149 N3 O4 -","- C135 H149 N3 O4 -","- C270 H298 N6 O8 -","2","1","","Christian Grave; Dieter Lentz; Andreas Schäfer; Paolo Samorì; Jürgen P. Rabe; Peter Franke; A. Dieter Schlüter","Shape-Persistant Macrocycles with Terpyridine Units: Synthesis, Characterization, and Structure in the Crystal","Journal of the American Chemical Society","2003","125","","6907","6918","10.1021/ja034029p","","","0.71073","MoKα","","0.262","0.1128","","","0.2709","0.3174","","","","","","1.197","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113790","14.493","0.004","17.862","0.005","20.588","0.006","97.097","0.007","100.914","0.007","112.715","0.005","4712","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C117 H121 N3 O5 -","- C117 H121 N3 O5 -","- C234 H242 N6 O10 -","2","1","","Christian Grave; Dieter Lentz; Andreas Schäfer; Paolo Samorì; Jürgen P. Rabe; Peter Franke; A. Dieter Schlüter","Shape-Persistant Macrocycles with Terpyridine Units: Synthesis, Characterization, and Structure in the Crystal","Journal of the American Chemical Society","2003","125","","6907","6918","10.1021/ja034029p","","","0.71073","MoKα","","0.3139","0.1274","","","0.2463","0.2748","","","","","","1.428","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113791","8.9947","0.0002","11.7801","0.0002","10.2739","0.0002","90","","105.993","0.001","90","","1046.47","0.04","200","1","200","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H34 N2 O5 Pd -","- C19 H34 N2 O5 Pd -","- C38 H68 N4 O10 Pd2 -","2","1","","Jaime A. Mueller; Matthew S. Sigman","Mechanistic Investigations of the Palladium-Catalyzed Aerobic Oxidative Kinetic Resolution of Secondary Alcohols Using (-)-Sparteine","Journal of the American Chemical Society","2003","125","","7005","7013","10.1021/ja034262n","","","0.71073","MoKα","","0.0213","0.0199","","","0.0458","0.0465","","","","","","1.073","","","","has coordinates,has disorder","178908","2020-10-21","18:00:00",""
"4113792","10.8659","0.001","14.784","0.002","16.87","0.003","82.746","0.012","82.149","0.01","75.847","0.012","2590.9","0.6","150","","150","","","","","","","","see text","4","P -1","-P 1","2","","","","- C44 H68 N16 O14 -","- C44 H68 N16 O14 -","- C88 H136 N32 O28 -","2","1","","A. Tessa ten Cate; Patricia Y. W. Dankers; Huub Kooijman; Anthony L. Spek; Rint P. Sijbesma; E. W. Meijer","Enantioselective Cyclization of Racemic Supramolecular Polymers","Journal of the American Chemical Society","2003","125","","6860","6861","10.1021/ja034273g","","x-ray","0.71073","MoKα","","0.1068","0.0501","","","0.1146","0.1333","","","","","","1.038","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113793","9.997","0.002","6.997","0.001","10.332","0.002","90","","90","","90","","722.7","0.2","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C3 H10 N2 Te Zn -","- C3 H10 N2 Te Zn -","- C12 H40 N8 Te4 Zn4 -","4","0.5","","Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas","From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties","Journal of the American Chemical Society","2003","125","","7049","7055","10.1021/ja0343611","","","0.71073","MoKα","","0.0968","0.0527","","","0.1145","0.1253","","","","","","1.172","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113794","4.2222","0.0006","6.9057","0.0009","7.3031","0.001","90","","98.928","0.003","90","","210.36","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- H4 N2 Te Zn -","- H4 N2 Te Zn -","- H8 N4 Te2 Zn2 -","2","1","","Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas","From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties","Journal of the American Chemical Society","2003","125","","7049","7055","10.1021/ja0343611","","","0.71073","MoKα","","0.0473","0.0461","","","0.1105","0.111","","","","","","1.081","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113795","7.179","0.001","6.946","0.001","18.913","0.004","90","","90","","90","","943.1","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H5 N Te Zn -","- C H5 N Te Zn -","- C8 H40 N8 Te8 Zn8 -","8","1","","Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas","From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties","Journal of the American Chemical Society","2003","125","","7049","7055","10.1021/ja0343611","","","0.71073","MoKα","","0.0585","0.0447","","","0.1141","0.1221","","","","","","1.07","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113796","7.09494","0.00033","6.79535","0.00032","16.7212","0.0008","90","","90","","90","","806.17","0.07","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H4 Cd N Se -","- C H4 Cd N Se -","- C8 H32 Cd8 N8 Se8 -","8","1","","Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas","From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties","Journal of the American Chemical Society","2003","125","","7049","7055","10.1021/ja0343611","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.09648","","0.94","","","","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113797","20.666","0.0012","6.89","0.0004","6.7513","0.0004","90","","90","","90","","961.31","0.1","","","","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C3 H10 Cd2 N2 Se2 -","- C3 H10 Cd2 N2 Se2 -","- C12 H40 Cd8 N8 Se8 -","4","0.5","","Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas","From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties","Journal of the American Chemical Society","2003","125","","7049","7055","10.1021/ja0343611","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.07153","","1.25","","","","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113798","12.2272","0.0007","12.2272","0.0007","15.8762","0.0017","90","","90","","120","","2055.6","0.3","193","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C12.5 H33 N3 O10 P -","- C12.5 H25.485 N3 O10 P -","- C50 H101.94 N12 O40 P4 -","4","0.666667","","Kannan Raghuraman; Kavita K. Katti; Leonard J. Barbour; Nagavarakishore Pillarsetty; Charles L. Barnes; Kattesh V. Katti","Characterization of Supramolecular (H2O)18 Water Morphology and Water-Methanol (H2O)15(CH3OH)3 Clusters in a Novel Phosphorus Functionalized Trimeric Amino Acid Host","Journal of the American Chemical Society","2003","125","","6955","6961","10.1021/ja034682c","","","0.71073","MoKα","","0.0738","0.0529","","","0.1191","0.128","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113799","12.2122","0.0004","12.2122","0.0004","15.8761","0.0011","90","","90","","120","","2050.51","0.17","193","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C12.5 H33 N3 O10 P -","- C12.5 H25.485 N3 O10 P -","- C50 H101.94 N12 O40 P4 -","4","0.666667","","Kannan Raghuraman; Kavita K. Katti; Leonard J. Barbour; Nagavarakishore Pillarsetty; Charles L. Barnes; Kattesh V. Katti","Characterization of Supramolecular (H2O)18 Water Morphology and Water-Methanol (H2O)15(CH3OH)3 Clusters in a Novel Phosphorus Functionalized Trimeric Amino Acid Host","Journal of the American Chemical Society","2003","125","","6955","6961","10.1021/ja034682c","","","0.71073","MoKα","","0.0723","0.0519","","","0.1138","0.122","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113800","12.3133","0.0003","12.3133","0.0003","16.0239","0.0009","90","","90","","120","","2104.01","0.14","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C12.5 H33 N3 O10 P -","- C12.5 H25.485 N3 O10 P -","- C50 H101.94 N12 O40 P4 -","4","0.666667","","Kannan Raghuraman; Kavita K. Katti; Leonard J. Barbour; Nagavarakishore Pillarsetty; Charles L. Barnes; Kattesh V. Katti","Characterization of Supramolecular (H2O)18 Water Morphology and Water-Methanol (H2O)15(CH3OH)3 Clusters in a Novel Phosphorus Functionalized Trimeric Amino Acid Host","Journal of the American Chemical Society","2003","125","","6955","6961","10.1021/ja034682c","","","0.71073","MoKα","","0.0653","0.0415","","","0.1007","0.1166","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113801","12.2838","0.0007","12.2838","0.0007","15.7572","0.0014","90","","90","","120","","2059.1","0.2","193","2","193","2","","","","","","","","5","P 63","P 6c","173","","","","- C12 H32 N3 O10 P -","- C8 H16 N2 O6.66667 P0.666667 -","- C48 H96 N12 O40 P4 -","6","1","","Kannan Raghuraman; Kavita K. Katti; Leonard J. Barbour; Nagavarakishore Pillarsetty; Charles L. Barnes; Kattesh V. Katti","Characterization of Supramolecular (H2O)18 Water Morphology and Water-Methanol (H2O)15(CH3OH)3 Clusters in a Novel Phosphorus Functionalized Trimeric Amino Acid Host","Journal of the American Chemical Society","2003","125","","6955","6961","10.1021/ja034682c","","","0.71073","MoKα","","0.0727","0.0485","","","0.1274","0.1401","","","","","","1.066","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113802","8.7931","0.0018","7.4466","0.0015","10.799","0.002","90","","104.106","0.003","90","","685.8","0.2","183","2","183","2","","","","","","","","4","P 1 n 1","P -2yac","7","endo-phenyl-pyrrole","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C34 H28 N4 O4 -","2","1","","Dongwhan Lee; Timothy M. Swager","Defining Space around Conducting Polymers: Reversible Protonic Doping of a Canopied Polypyrrole","Journal of the American Chemical Society","2003","125","","6870","6871","10.1021/ja034894+","","","0.71073","MoKα","","0.0544","0.0519","","","0.1201","0.1214","","","","","","1.184","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113803","8.9121","0.0017","21.702","0.004","11.26","0.002","90","","105.61","0.003","90","","2097.5","0.7","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cp*Mo(NO)(CH2CMe3)2 (1)","Molybdenum,bis(2,2-dimethylpropyl)nitrosyl [(5-.eta.)pentamethylcyclopentadienyl]","","- C20 H37 Mo N O -","- C20 H37 Mo N O -","- C80 H148 Mo4 N4 O4 -","4","1","","Kenji Wada; Craig B. Pamplin; Peter Legzdins; Brian O. Patrick; Irina Tsyba; Robert Bau","Intermolecular Activation of Hydrocarbon C-H Bonds under Ambient Conditions by 16-Electron Neopentylidene and Benzyne Complexes of Molybdenum","Journal of the American Chemical Society","2003","125","","7035","7048","10.1021/ja0349094","","","0.71073","MoKα","","0.0593","0.0444","","","0.0978","0.1038","","","","","","1.049","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113804","8.372","0.004","8.944","0.005","14.795","0.008","81.399","0.009","79.463","0.008","69.442","0.008","1015.4","0.9","160","2","160","2","","","","","","","","5","P -1","-P 1","2","Cp*Mo(NO)(=CHCMe3)(NC5H5) (8)","Molybdenum,(2,2-dimethylpropylidene)nitrosyl [(5-.eta.)pentamethylcyclopentadienyl](pyridine)","","- C20 H30 Mo N2 O -","- C20 H30 Mo N2 O -","- C40 H60 Mo2 N4 O2 -","2","1","","Kenji Wada; Craig B. Pamplin; Peter Legzdins; Brian O. Patrick; Irina Tsyba; Robert Bau","Intermolecular Activation of Hydrocarbon C-H Bonds under Ambient Conditions by 16-Electron Neopentylidene and Benzyne Complexes of Molybdenum","Journal of the American Chemical Society","2003","125","","7035","7048","10.1021/ja0349094","","","0.71073","MoKα","","0.0518","0.0473","","","0.1191","0.123","","","","","","1.067","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113805","10.2911","0.0005","14.6191","0.0006","14.4274","0.0008","90","","108.209","0.002","90","","2061.86","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cp*Mo(NO)(CH2CMe3)(C6H5) (6)","Molybdenum,(2,2-dimethylpropyl)nitrosyl [(5-.eta.)pentamethylcyclopentadienyl]phenyl","","- C21 H31 Mo N O -","- C21 H31 Mo N O -","- C84 H124 Mo4 N4 O4 -","4","1","","Kenji Wada; Craig B. Pamplin; Peter Legzdins; Brian O. Patrick; Irina Tsyba; Robert Bau","Intermolecular Activation of Hydrocarbon C-H Bonds under Ambient Conditions by 16-Electron Neopentylidene and Benzyne Complexes of Molybdenum","Journal of the American Chemical Society","2003","125","","7035","7048","10.1021/ja0349094","","","0.71069","MoKα","","0.0334","0.0285","","","0.0762","0.078","","","","","","1.06","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113806","13.19","0.0011","11.8175","0.0007","15.1108","0.0013","90","","101.828","0.004","90","","2305.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cp*Mo(NO)(CH2CMe3)(h2-CH2C6H3-3,5-Me2) (3)","Molybdenum, [(3,5-dimethylphenyl)methyl](2,2-dimethylpropyl)nitrosyl [(5-.eta.)pentamethylcyclopentadienyl]","","- C24 H37 Mo N O -","- C24 H37 Mo N O -","- C96 H148 Mo4 N4 O4 -","4","1","","Kenji Wada; Craig B. Pamplin; Peter Legzdins; Brian O. Patrick; Irina Tsyba; Robert Bau","Intermolecular Activation of Hydrocarbon C-H Bonds under Ambient Conditions by 16-Electron Neopentylidene and Benzyne Complexes of Molybdenum","Journal of the American Chemical Society","2003","125","","7035","7048","10.1021/ja0349094","","","0.71073","MoKα","","0.0621","0.0413","","","0.0943","0.1018","","","","","","1.059","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113807","7.8177","0.0004","14.3141","0.0009","20.5603","0.001","90","","90","","90","","2300.8","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cp*Mo(NO)(h2-C6H4)(NC5H5).benzene (9)","Molybdenum,[(5,6-.eta.)-1,3-cyclohexadien-5-yne]nitrosyl [(5-.eta.)pentamethylcyclopentadienyl](pyridine)","","- C27 H30 Mo N2 O -","- C27 H30 Mo N2 O -","- C108 H120 Mo4 N8 O4 -","4","1","","Kenji Wada; Craig B. Pamplin; Peter Legzdins; Brian O. Patrick; Irina Tsyba; Robert Bau","Intermolecular Activation of Hydrocarbon C-H Bonds under Ambient Conditions by 16-Electron Neopentylidene and Benzyne Complexes of Molybdenum","Journal of the American Chemical Society","2003","125","","7035","7048","10.1021/ja0349094","","","0.71073","MoKα","","0.05","0.0327","","","0.0618","0.0662","","","","","","0.856","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113808","10.9346","0.0004","11.0747","0.0004","11.5478","0.0004","64.377","0.002","74.543","0.002","89.209","0.002","1206.97","0.08","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H66 F6 N6 O4 -","- C52 H66 F6 N6 O4 -","- C52 H66 F6 N6 O4 -","1","0.5","","Thomas Köhler; Daniel Seidel; Vincent Lynch; Forrest O. Arp; Zhongping Ou; Karl M. Kadish; Jonathan L. Sessler","Formation and Properties of Cyclo[6]pyrrole and Cyclo[7]pyrrole","Journal of the American Chemical Society","2003","125","","6872","6873","10.1021/ja035089y","","","0.71073","MoKα","","0.0747","0.0506","","","0.1089","0.121","","","","","","1.039","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113809","10.743","0.0004","11.5435","0.0005","26.1232","0.0012","99.666","0.002","98.104","0.002","104.904","0.002","3027.9","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H91 Cl2 N7 O -","- C68 H91 Cl2 N7 O -","- C136 H182 Cl4 N14 O2 -","2","1","","Thomas Köhler; Daniel Seidel; Vincent Lynch; Forrest O. Arp; Zhongping Ou; Karl M. Kadish; Jonathan L. Sessler","Formation and Properties of Cyclo[6]pyrrole and Cyclo[7]pyrrole","Journal of the American Chemical Society","2003","125","","6872","6873","10.1021/ja035089y","","","0.71073","MoKα","","0.2175","0.0787","","","0.1499","0.198","","","","","","1.004","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113810","6.489","0.003","37.255","0.002","8.673","0.002","90","","101.67","0.03","90","","2053.3","1.1","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H56 N6 O10 -","- C43 H50 N6 O10 -","- C86 H100 N12 O20 -","2","1","","Yukio Hitotsuyanagi; Shin-ichi Sasaki; Yuji Matsumoto; Kentaro Yamaguchi; Hideji Itokawa; Koichi Takeya","Synthesis of [l-Ala-1]RA-VII, [d-Ala-2]RA-VII, and [d-Ala-4]RA-VII by Epimerization of RA-VII, an Antitumor Bicyclic Hexapeptide from Rubia Plants, through Oxazoles","Journal of the American Chemical Society","2003","125","","7284","7290","10.1021/ja021131y","","","1.5418","CuKα","","","0.046","","","","0.0608","","","","","","1.662","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113811","29.537","0.006","13.325","0.001","12.187","0.002","90","","93.68","0.01","90","","4786.7","1.3","296.2","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H58 Cl3 N6 O10.5 -","- C44 H56 Cl3 N6 O10.5 -","- C176 H224 Cl12 N24 O42 -","4","1","","Yukio Hitotsuyanagi; Shin-ichi Sasaki; Yuji Matsumoto; Kentaro Yamaguchi; Hideji Itokawa; Koichi Takeya","Synthesis of [l-Ala-1]RA-VII, [d-Ala-2]RA-VII, and [d-Ala-4]RA-VII by Epimerization of RA-VII, an Antitumor Bicyclic Hexapeptide from Rubia Plants, through Oxazoles","Journal of the American Chemical Society","2003","125","","7284","7290","10.1021/ja021131y","","","1.5418","CuKα","","","0.066","","","","0.0639","","","","","","1.221","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113812","17.471","0.003","33.76","0.01","6.726","0.001","90","","90","","90","","3967.1","1.5","113.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H50 N6 O9 -","- C41 H50 N6 O10 -","- C164 H200 N24 O40 -","4","1","","Yukio Hitotsuyanagi; Shin-ichi Sasaki; Yuji Matsumoto; Kentaro Yamaguchi; Hideji Itokawa; Koichi Takeya","Synthesis of [l-Ala-1]RA-VII, [d-Ala-2]RA-VII, and [d-Ala-4]RA-VII by Epimerization of RA-VII, an Antitumor Bicyclic Hexapeptide from Rubia Plants, through Oxazoles","Journal of the American Chemical Society","2003","125","","7284","7290","10.1021/ja021131y","","","0.7107","MoKα","","","0.0613","","","","0.066","","","","","","1.286","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113813","16.14","0.02","23.85","0.03","12.562","0.005","90","","90","","90","","4836","9","173.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H74 N6 O25 -","- C42 H47 N6 O20 -","- C168 H188 N24 O80 -","4","1","","Yukio Hitotsuyanagi; Shin-ichi Sasaki; Yuji Matsumoto; Kentaro Yamaguchi; Hideji Itokawa; Koichi Takeya","Synthesis of [l-Ala-1]RA-VII, [d-Ala-2]RA-VII, and [d-Ala-4]RA-VII by Epimerization of RA-VII, an Antitumor Bicyclic Hexapeptide from Rubia Plants, through Oxazoles","Journal of the American Chemical Society","2003","125","","7284","7290","10.1021/ja021131y","","","0.7107","MoKα","","","0.138","","","","0.1274","","","","","","3.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113814","9.5568","0.0002","11.0858","0.0003","20.645","0.0006","76.832","0.001","77.413","0.001","84.17","0.001","2075.43","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H62 Cl N5 O4 -","- C46 H62 Cl N5 O4 -","- C92 H124 Cl2 N10 O8 -","2","1","","Chang-Hee Lee; Hee-Kyung Na; Dae-Wi Yoon; Dong-Hoon Won; Won-Seob Cho; Vincent M. Lynch; Sergey V. Shevchuk; Jonathan L. Sessler","Single Side Strapping: A New Approach to Fine Tuning the Anion Recognition Properties of Calix[4]pyrroles","Journal of the American Chemical Society","2003","125","","7301","7306","10.1021/ja029175u","","","0.71073","MoKα","","0.1908","0.0857","","","0.1219","0.1559","","","","","","0.994","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113815","16.779","0.003","17.304","0.004","8.443","0.004","90","","90","","90","","2451.4","1.4","296.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 F6 O2 S2 -","- C26 H20 F6 O2 S2 -","- C104 H80 F24 O8 S8 -","4","1","","Yasushi Yokoyama; Hidenori Shiraishi; Yutaka Tani; Yayoi Yokoyama; Yoshitaka Yamaguchi","Diastereoselective Photochromism of a Bisbenzothienylethene Governed by Steric as Well as Electronic Interactions","Journal of the American Chemical Society","2003","125","","7194","7195","10.1021/ja029535d","","","0.7107","MoKα","","","0.044","","","","0.136","","","","","","1.278","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113816","11.4069","0.0006","21.2755","0.0013","13.3005","0.0006","90","","104.64","0.002","90","","3123.1","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C66 H72 N6 O7 P Tb -","- C66 H72 N6 O7 P Tb -","- C132 H144 N12 O14 P2 Tb2 -","2","1","","Hao Xin; Fu You Li; Mei Shi; Zu Qiang Bian; Chun Hui Huang","Efficient Electroluminescence from a New Terbium Complex","Journal of the American Chemical Society","2003","125","","7166","7167","10.1021/ja034087a","","","0.71073","MoKα","","0.09","0.0397","","","0.0668","0.0732","","","","","","0.698","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113817","13.9526","0.0005","16.2725","0.0005","16.4417","0.0006","90.233","0.001","94.48","0.001","97.403","0.001","3690.2","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H108 As8 Cr N6 Na3 O18 -","- C54 H108 As8 Cr N6 Na3 O18 -","- C108 H216 As16 Cr2 N12 Na6 O36 -","2","1","","Banu Kesanli; James Fettinger; Bryan Eichhorn","Controlled Aggregation of ME8n- Binary Anions (M = Cr, Mo; E = As, Sb) into One-Dimensional Arrays: Structures, Magnetism and Spectroscopy","Journal of the American Chemical Society","2003","125","","7367","7376","10.1021/ja034207e","","","0.71073","MoKα","","0.0533","0.0346","","","0.0883","0.0947","","","","","","1.031","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113818","25.8992","0.001","25.3671","0.001","38.125","0.002","90","","92.409","0.001","90","","25025.5","1.9","193","2","193","2","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C162 H324 K9 Mo3 N18 O54 Sb24 -","- C162 H324 K9 Mo3 N18 O54 Sb24 -","- C648 H1296 K36 Mo12 N72 O216 Sb96 -","4","1","","Banu Kesanli; James Fettinger; Bryan Eichhorn","Controlled Aggregation of ME8n- Binary Anions (M = Cr, Mo; E = As, Sb) into One-Dimensional Arrays: Structures, Magnetism and Spectroscopy","Journal of the American Chemical Society","2003","125","","7367","7376","10.1021/ja034207e","","","0.71073","MoKα","","0.0951","0.0548","","","0.1285","0.1443","","","","","","0.987","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113819","17.5088","0.0013","17.0833","0.0012","40.472","0.003","90","","90","","90","","12105.5","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H18 F9 Ir N6 -","- C30 H18 F9 Ir N6 -","- C480 H288 F144 Ir16 N96 -","16","2","","Arnold B. Tamayo; Bert D. Alleyne; Peter I. Djurovich; Sergey Lamansky; Irina Tsyba; Nam N. Ho; Robert Bau; Mark E. Thompson","Synthesis and Characterization of Facial and Meridional Tris-cyclometalated Iridium(III) Complexes","Journal of the American Chemical Society","2003","125","","7377","7387","10.1021/ja034537z","","","0.71073","MoKα","","0.0731","0.0495","","","0.1143","0.1269","","","","","","1.037","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113820","23.125","0.011","23.125","0.011","8.854","0.008","90","","90","","90","","4735","5","273","2","273","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C27 H21 Ir N6 -","- C27 H21 Ir N6 -","- C216 H168 Ir8 N48 -","8","1","","Arnold B. Tamayo; Bert D. Alleyne; Peter I. Djurovich; Sergey Lamansky; Irina Tsyba; Nam N. Ho; Robert Bau; Mark E. Thompson","Synthesis and Characterization of Facial and Meridional Tris-cyclometalated Iridium(III) Complexes","Journal of the American Chemical Society","2003","125","","7377","7387","10.1021/ja034537z","","","0.71073","MoKα","","0.0477","0.0366","","","0.0644","0.0675","","","","","","1.054","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113821","11.5923","0.001","33.878","0.003","15.5667","0.0014","90","","103.03","0.002","90","","5956","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 F9 Ir N6 -","- C30 H18 F9 Ir N6 -","- C240 H144 F72 Ir8 N48 -","8","2","","Arnold B. Tamayo; Bert D. Alleyne; Peter I. Djurovich; Sergey Lamansky; Irina Tsyba; Nam N. Ho; Robert Bau; Mark E. Thompson","Synthesis and Characterization of Facial and Meridional Tris-cyclometalated Iridium(III) Complexes","Journal of the American Chemical Society","2003","125","","7377","7387","10.1021/ja034537z","","","0.71073","MoKα","","0.0591","0.0465","","","0.1081","0.1147","","","","","","1.013","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113822","15.2907","0.0013","14.8863","0.0011","10.1503","0.0009","90","","97.607","0.005","90","","2290.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Ir N6 -","- C27 Ir N6 -","- C108 Ir4 N24 -","4","1","","Arnold B. Tamayo; Bert D. Alleyne; Peter I. Djurovich; Sergey Lamansky; Irina Tsyba; Nam N. Ho; Robert Bau; Mark E. Thompson","Synthesis and Characterization of Facial and Meridional Tris-cyclometalated Iridium(III) Complexes","Journal of the American Chemical Society","2003","125","","7377","7387","10.1021/ja034537z","","","0.71073","MoKα","","0.0674","0.0451","","","0.1118","0.1212","","","","","","1","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113823","15.113","0.002","9.9696","0.0015","21.093","0.003","90","","91.383","0.003","90","","3177.2","0.8","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 Cl2 Ir N3 -","- C37 H32 Cl2 Ir N3 -","- C148 H128 Cl8 Ir4 N12 -","4","1","","Arnold B. Tamayo; Bert D. Alleyne; Peter I. Djurovich; Sergey Lamansky; Irina Tsyba; Nam N. Ho; Robert Bau; Mark E. Thompson","Synthesis and Characterization of Facial and Meridional Tris-cyclometalated Iridium(III) Complexes","Journal of the American Chemical Society","2003","125","","7377","7387","10.1021/ja034537z","","","0.71073","MoKα","","0.0686","0.0521","","","0.1344","0.1441","","","","","","1.066","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113824","10.4024","0.0012","17.796","0.002","31.256","0.004","90","","90","","90","","5786.1","1.2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5-phenyl-1,2:3,4-bis(bicyclo[2.2.2]octeno)cyclopentadienyllithium-(THF)3","","","- C35 H49 Li O3 -","- C35 H49 Li O3 -","- C280 H392 Li8 O24 -","8","1","","Tohru Nishinaga; Daisuke Yamazaki; Helmut Stahr; Atsushi Wakamiya; Koichi Komatsu","Synthesis, Structure, and Dynamic Behavior of Cyclopentadienyl-Lithium, -Sodium, and -Potassium Annelated with Bicyclo[2.2.2]octene Units: A Systematic Study on Site Exchange of Alkali Metals on a Cyclopentadienyl Ring in Tetrahydrofuran","Journal of the American Chemical Society","2003","125","","7324","7335","10.1021/ja0346431","","","0.71073","MoKα","","0.1034","0.0754","","","0.2012","0.2161","","","","","","1.053","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113825","9.6261","0.0009","10.5597","0.001","16.1138","0.0015","76.72","0.002","88.816","0.002","69.497","0.002","1489.9","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","5-phenyl-1,2:3,4-bis(bicyclo[2.2.2]octeno)cyclopentadienylsodium-(THF)3","","","- C35 H49 Na O3 -","- C35 H49 Na O3 -","- C70 H98 Na2 O6 -","2","1","","Tohru Nishinaga; Daisuke Yamazaki; Helmut Stahr; Atsushi Wakamiya; Koichi Komatsu","Synthesis, Structure, and Dynamic Behavior of Cyclopentadienyl-Lithium, -Sodium, and -Potassium Annelated with Bicyclo[2.2.2]octene Units: A Systematic Study on Site Exchange of Alkali Metals on a Cyclopentadienyl Ring in Tetrahydrofuran","Journal of the American Chemical Society","2003","125","","7324","7335","10.1021/ja0346431","","","0.71073","MoKα","","0.0688","0.0513","","","0.1294","0.1362","","","","","","1.048","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113826","9.6126","0.0011","10.237","0.0012","16.5405","0.0019","98.989","0.002","102.266","0.002","107.44","0.002","1474.6","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","5-t-butyl-1,2:3,4-bis(bicyclo[2.2.2]octeno)cyclopentadienylsodium-(THF)3","","","- C33 H53 Na O3 -","- C33 H53 Na O3 -","- C66 H106 Na2 O6 -","2","1","","Tohru Nishinaga; Daisuke Yamazaki; Helmut Stahr; Atsushi Wakamiya; Koichi Komatsu","Synthesis, Structure, and Dynamic Behavior of Cyclopentadienyl-Lithium, -Sodium, and -Potassium Annelated with Bicyclo[2.2.2]octene Units: A Systematic Study on Site Exchange of Alkali Metals on a Cyclopentadienyl Ring in Tetrahydrofuran","Journal of the American Chemical Society","2003","125","","7324","7335","10.1021/ja0346431","","","0.71073","MoKα","","0.0535","0.045","","","0.1132","0.1181","","","","","","1.026","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113827","6.214","0.003","11.624","0.005","13.218","0.008","113.393","0.01","100.585","0.011","98.552","0.007","835","0.7","100","2","100","2","","","","","","","","2","P -1","-P 1","2","5-phenyl-1,2:3,4-bis(bicyclo[2.2.2]octeno)cyclopentadiene","","","- C23 H26 -","- C23 H26 -","- C46 H52 -","2","1","","Tohru Nishinaga; Daisuke Yamazaki; Helmut Stahr; Atsushi Wakamiya; Koichi Komatsu","Synthesis, Structure, and Dynamic Behavior of Cyclopentadienyl-Lithium, -Sodium, and -Potassium Annelated with Bicyclo[2.2.2]octene Units: A Systematic Study on Site Exchange of Alkali Metals on a Cyclopentadienyl Ring in Tetrahydrofuran","Journal of the American Chemical Society","2003","125","","7324","7335","10.1021/ja0346431","","","0.71073","MoKα","","0.0817","0.0548","","","0.1342","0.1452","","","","","","0.965","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113828","34.419","0.009","15.989","0.003","26.712","0.004","90","0.012","108.475","0.018","90","0.017","13943","5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C72 H105 Cu2 F12 N10 O30.5 Pt4 S12 -","- C72 H96 Cu2 F12 N10 O30.5 Pt4 S12 -","- C288 H384 Cu8 F48 N40 O122 Pt16 S48 -","4","0.5","","Ki-Hyun Kim; Rita Song; Kwan Mook Kim","A Metal-Centered Hydrophobic Pocket Recognizing Pyridine over Piperidine","Journal of the American Chemical Society","2003","125","","7170","7171","10.1021/ja035126l","","","0.71073","MoKα","","0.2214","0.0786","","","0.1724","0.2192","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113829","12.93","0.001","20.888","0.002","17.632","0.002","90","","108.45","0.01","90","","4517.3","0.8","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H55 B Cl4 N4 W -","- C49 H55 B Cl4 N4 W -","- C196 H220 B4 Cl16 N16 W4 -","4","1","","Christian Cremer; Peter Burger","Magnetic Properties of Cationic Tungsten(IV) Half Sandwich Compounds: Experimental and Theoretical Study of a Solvent and Ligand Stabilized Singlet Ground State Leading to a Thermally Induced Singlet-Triplet Spin State Interconversion","Journal of the American Chemical Society","2003","125","","7664","7677","10.1021/ja028313c","","","0.71073","MoKα","","0.0363","0.0266","","0.0618","0.0609","","","","1.046","1.185","1.185","","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113830","8.369","0.002","10.952","0.002","13.977","0.003","102.84","0.03","101.01","0.03","101.6","0.03","1185.7","0.5","183","2","183","2","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C24 H32 Cl2 N2 O0.5 W -","- C24 H32 Cl2 N2 O0.5 W -","- C48 H64 Cl4 N4 O W2 -","2","1","","Christian Cremer; Peter Burger","Magnetic Properties of Cationic Tungsten(IV) Half Sandwich Compounds: Experimental and Theoretical Study of a Solvent and Ligand Stabilized Singlet Ground State Leading to a Thermally Induced Singlet-Triplet Spin State Interconversion","Journal of the American Chemical Society","2003","125","","7664","7677","10.1021/ja028313c","","","0.71073","MoKα","","0.0381","0.0318","","0.0814","0.0776","","","","1.003","1.042","1.042","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113831","10.612","0.002","15.229","0.003","20.949","0.004","90","","90","","90","","3385.6","1.1","299.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H43 N3 O7 S -","- C36 H41 N3 O7 S -","- C144 H164 N12 O28 S4 -","4","1","","Toshiaki Nagata; Masako Nakagawa; Atsushi Nishida","The First Total Synthesis of Nakadomarin A","Journal of the American Chemical Society","2003","125","","7484","7485","10.1021/ja034464j","","","0.7107","MoKα","","","0.0525","","","","0.0586","","","","","","2.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113832","10.78","0.002","12.27","0.002","18.705","0.004","90","","90","","90","","2474.1","0.8","173.2","","173.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 O4 S -","- C28 H27 N2 O4 S -","- C112 H108 N8 O16 S4 -","4","1","","Toshiaki Nagata; Masako Nakagawa; Atsushi Nishida","The First Total Synthesis of Nakadomarin A","Journal of the American Chemical Society","2003","125","","7484","7485","10.1021/ja034464j","","","0.7107","MoKα","","0.062","0.062","","0.082","","0.082","","","1.802","","","1.8","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113833","12.5615","0.0015","17.893","0.003","21.802","0.003","109.107","0.006","90.28","0.006","110.262","0.005","4305","1.1","90","2","90","2","","","","","","","","3","P -1","-P 1","2","Bert*SnSnPh2Bert*.2C6H14","","","- C96 H136 Sn2 -","- C96 H136 Sn2 -","- C192 H272 Sn4 -","2","1","","Andrew D. Phillips; Shirley Hino; Philip P. Power","A Reversible Valence Equilibrium in a Heavier Main Group Compound","Journal of the American Chemical Society","2003","125","","7520","7521","10.1021/ja0347843","","","0.71073","MoKα","","0.0443","0.0303","","","0.0676","0.0744","","","","","","1.004","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113834","12.5492","0.0005","18.255","0.0008","16.4982","0.0007","90","","105.488","0.002","90","","3642.3","0.3","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Bert*SnPh","","","- C42 H54 Sn -","- C42 H54 Sn -","- C168 H216 Sn4 -","4","1","","Andrew D. Phillips; Shirley Hino; Philip P. Power","A Reversible Valence Equilibrium in a Heavier Main Group Compound","Journal of the American Chemical Society","2003","125","","7520","7521","10.1021/ja0347843","","","0.71073","MoKα","","0.0511","0.0324","","","0.0711","0.0795","","","","","","1.025","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113835","22.37","0.005","20.764","0.005","23.028","0.006","90","","98.579","0.005","90","","10577","4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C125.48 H134.54 Cl2 Cr2 N6 O4 -","- C125.49 H134.56 Cl2 Cr2 N6 O4 -","- C501.96 H538.24 Cl8 Cr8 N24 O16 -","4","1","","Donald J. Darensbourg; Jason C. Yarbrough; Cesar Ortiz; Cindy C. Fang","Comparative Kinetic Studies of the Copolymerization of Cyclohexene Oxide and Propylene Oxide with Carbon Dioxide in the Presence of Chromium Salen Derivatives. In Situ FTIR Measurements of Copolymer vs Cyclic Carbonate Production","Journal of the American Chemical Society","2003","125","","7586","7591","10.1021/ja034863e","","","0.71073","MoKα","","0.4369","0.0762","","","0.1442","0.231","","","","","","0.661","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113836","9.4865","0.0005","16.5147","0.0008","12.2829","0.0006","90","","106.567","0.002","90","","1844.44","0.16","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H62 O3 Si6 Sr -","- C24 H62 O3 Si6 Sr -","- C48 H124 O6 Si12 Sr2 -","2","1","","Keith Izod; Stephen T. Liddle; William Clegg","Alkyl Complexes of Strontium and Barium: Synthesis and Structural Characterization of {(Me3Si)2(MeOMe2Si)C}2Sr(THF) and {(Me3Si)2(MeOMe2Si)C}2Ba(MeOCH2CH2OMe)","Journal of the American Chemical Society","2003","125","","7534","7535","10.1021/ja0352404","","","0.71073","MoKα","","0.0301","0.0253","","","0.0562","0.0581","","","","","","0.817","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113837","17.76","0.0007","13.149","0.0005","16.8334","0.0006","90","","90","","90","","3931","0.3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H64 Ba O4 Si6 -","- C24 H64 Ba O4 Si6 -","- C96 H256 Ba4 O16 Si24 -","4","1","","Keith Izod; Stephen T. Liddle; William Clegg","Alkyl Complexes of Strontium and Barium: Synthesis and Structural Characterization of {(Me3Si)2(MeOMe2Si)C}2Sr(THF) and {(Me3Si)2(MeOMe2Si)C}2Ba(MeOCH2CH2OMe)","Journal of the American Chemical Society","2003","125","","7534","7535","10.1021/ja0352404","","","0.71073","MoKα","","0.0251","0.0196","","","0.0417","0.0434","","","","","","1.035","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113838","8.098","0.002","22.593","0.006","17.761","0.005","90","","90.575","0.005","90","","3249.4","1.5","293.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H40 N2 O6 Ru S -","- C35 H40 N2 O6 Ru S -","- C140 H160 N8 O24 Ru4 S4 -","4","2","","Masahito Watanabe; Kunihiko Murata; Takao Ikariya","Enantioselective Michael Reaction Catalyzed by Well-Defined Chiral Ru Amido Complexes: Isolation and Characterization of the Catalyst Intermediate, Ru Malonato Complex Having a Metal-Carbon Bond","Journal of the American Chemical Society","2003","125","","7508","7509","10.1021/ja035435b","","","0.7107","MoKα","","","0.09","","","","0.208","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113839","22.597","0.003","22.597","0.003","8.705","0.004","90","","90","","90","","4445","2","296.2","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C16 H32 O3 P3 Rh -","- C16 H32 O3 P3 Rh -","- C128 H256 O24 P24 Rh8 -","8","1","","Jun-Chul Choi; Toshiyasu Sakakura","Oxidative Addition of C-H Bonds to RhCl(PMe3)3: Relevant to the Catalytic Transformation of Hydrocarbons","Journal of the American Chemical Society","2003","125","","7762","7763","10.1021/ja021375i","","","0.7107","MoKα","","","0.0494","","","","0.0775","","","","","","1.714","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113840","9.787","0.003","11.944","0.005","17.892","0.004","90","","94.14","0.02","90","","2086","1.2","193.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H33 Cl P3 Rh -","- C15 H Cl P3 Rh -","- C60 H4 Cl4 P12 Rh4 -","4","1","","Jun-Chul Choi; Toshiyasu Sakakura","Oxidative Addition of C-H Bonds to RhCl(PMe3)3: Relevant to the Catalytic Transformation of Hydrocarbons","Journal of the American Chemical Society","2003","125","","7762","7763","10.1021/ja021375i","","","0.7107","MoKα","","","0.048","","","","0.0767","","","","","","1.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113841","18.125","0.001","16.326","0.001","27.145","0.002","90","","90","","90","","8032.4","0.9","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","01119","","","- C48 H37 B Fe N6 O3 -","- C48 H37 B Fe N6 O3 -","- C384 H296 B8 Fe8 N48 O24 -","8","2","","Mark P. Mehn; Kiyoshi Fujisawa; Eric L. Hegg; Lawrence Que","Oxygen Activation by Nonheme Iron(II) Complexes: α-Keto Carboxylate versus Carboxylate","Journal of the American Chemical Society","2003","125","","7828","7842","10.1021/ja028867f","","","0.71073","MoKα","","0.1515","0.0633","","","0.1402","0.1631","","","","","","1.006","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113842","8.944","0.001","16.053","0.002","17.941","0.002","112.102","0.002","101.903","0.002","100.557","0.002","2236.6","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","02128","","","- C53 H41 B Cl2 Fe N6 O2 -","- C53 H41 B Cl2 Fe N6 O2 -","- C106 H82 B2 Cl4 Fe2 N12 O4 -","2","1","","Mark P. Mehn; Kiyoshi Fujisawa; Eric L. Hegg; Lawrence Que","Oxygen Activation by Nonheme Iron(II) Complexes: α-Keto Carboxylate versus Carboxylate","Journal of the American Chemical Society","2003","125","","7828","7842","10.1021/ja028867f","","","0.71073","MoKα","","0.05","0.0392","","","0.0994","0.1043","","","","","","1.023","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4113843","13.633","0.003","14.154","0.004","15.481","0.004","84.339","0.004","66.223","0.004","67.251","0.004","2515.2","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","01235","","","- C62 H49 B Fe N8 O2 -","- C62 H49 B Fe N8 O2 -","- C124 H98 B2 Fe2 N16 O4 -","2","1","","Mark P. Mehn; Kiyoshi Fujisawa; Eric L. Hegg; Lawrence Que","Oxygen Activation by Nonheme Iron(II) Complexes: α-Keto Carboxylate versus Carboxylate","Journal of the American Chemical Society","2003","125","","7828","7842","10.1021/ja028867f","","","0.71073","MoKα","","0.0507","0.0361","","","0.0881","0.0932","","","","","","0.983","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113844","13.4709","0.0008","14.1891","0.0009","15.3253","0.0009","83.057","0.001","66.655","0.001","67.175","0.001","2477","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","01211","","","- C62 H48 B Fe N8 O3 -","- C62 H48 B Fe N8 O3 -","- C124 H96 B2 Fe2 N16 O6 -","2","1","","Mark P. Mehn; Kiyoshi Fujisawa; Eric L. Hegg; Lawrence Que","Oxygen Activation by Nonheme Iron(II) Complexes: α-Keto Carboxylate versus Carboxylate","Journal of the American Chemical Society","2003","125","","7828","7842","10.1021/ja028867f","","","0.71073","MoKα","","0.0518","0.0408","","","0.1169","0.125","","","","","","1.013","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113845","34.5808","0.0003","18.2206","0.0001","14.4798","0.0001","90","","90","","90","","9123.47","0.11","273.2","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H47 Cl3 P2 Ru S3 W -","- C47 H45 Cl3 P2 Ru S3 W -","- C376 H360 Cl24 P16 Ru8 S24 W8 -","8","1","","Yasuhiro Ohki; Nobuo Matsuura; Tadashi Marumoto; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Heterolytic Cleavage of Dihydrogen Promoted by Sulfido-Bridged Tungsten-Ruthenium Dinuclear Complexes","Journal of the American Chemical Society","2003","125","","7978","7988","10.1021/ja029941x","","","0.7107","MoKα","","","0.0268","","","","0.052","","","","","","1.812","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113846","11.5969","0.0008","12.611","0.001","16.3226","0.0002","84.38","0.001","75.862","0.003","65.3699","0.0007","2104.2","0.2","171.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 P2 Ru S3 W -","- C46 H46 P2 Ru S3 W -","- C92 H92 P4 Ru2 S6 W2 -","2","1","","Yasuhiro Ohki; Nobuo Matsuura; Tadashi Marumoto; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Heterolytic Cleavage of Dihydrogen Promoted by Sulfido-Bridged Tungsten-Ruthenium Dinuclear Complexes","Journal of the American Chemical Society","2003","125","","7978","7988","10.1021/ja029941x","","","0.7107","MoKα","","","0.0198","","","","0.0221","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113847","23.7028","0.0005","14.8984","0.0001","12.9654","0.0001","90","","90","","90","","4578.52","0.11","273.2","","","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C47 H47 Cl3 O P2 Ru S2 W -","- C47 H47 Cl3 O P2 Ru S2 W -","- C188 H188 Cl12 O4 P8 Ru4 S8 W4 -","4","1","","Yasuhiro Ohki; Nobuo Matsuura; Tadashi Marumoto; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Heterolytic Cleavage of Dihydrogen Promoted by Sulfido-Bridged Tungsten-Ruthenium Dinuclear Complexes","Journal of the American Chemical Society","2003","125","","7978","7988","10.1021/ja029941x","","","0.7107","MoKα","","","0.0264","","","","0.0419","","","","","","2.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113848","10.1719","0.0005","12.1015","0.0007","19.534","0.001","87.3157","0.0006","88.1864","0.0009","76.985","0.001","2339.7","0.2","273.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H54 O P2 Ru S2 W -","- C53 H54 O P2 Ru S2 W -","- C106 H108 O2 P4 Ru2 S4 W2 -","2","1","","Yasuhiro Ohki; Nobuo Matsuura; Tadashi Marumoto; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Heterolytic Cleavage of Dihydrogen Promoted by Sulfido-Bridged Tungsten-Ruthenium Dinuclear Complexes","Journal of the American Chemical Society","2003","125","","7978","7988","10.1021/ja029941x","","","0.7107","MoKα","","","0.0335","","","","0.068","","","","","","1.87","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113849","13.929","0.001","14.281","0.002","23.637","0.003","103.543","0.003","104.86","0.001","95.669","0.001","4354.7","0.9","173.2","","","","","","","","","","","9","P -1","-P 1","2","","","","- C86 H79 B F24 O3 P2 Ru S2 W -","- C86 H78 B F24 O3 P2 Ru S2 W -","- C172 H156 B2 F48 O6 P4 Ru2 S4 W2 -","2","1","","Yasuhiro Ohki; Nobuo Matsuura; Tadashi Marumoto; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Heterolytic Cleavage of Dihydrogen Promoted by Sulfido-Bridged Tungsten-Ruthenium Dinuclear Complexes","Journal of the American Chemical Society","2003","125","","7978","7988","10.1021/ja029941x","","","0.7107","MoKα","","","0.0582","","","","0.0686","","","","","","1.6","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113850","9.2932","0.0006","13.7152","0.0007","18.4144","0.0006","104.757","0.0006","95.1659","0.0006","91.219","0.001","2258","0.2","273.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C47 H47 F3 O4 P2 Ru S3 W -","- C47 H47 F3 O4 P2 Ru S3 W -","- C94 H94 F6 O8 P4 Ru2 S6 W2 -","2","1","","Yasuhiro Ohki; Nobuo Matsuura; Tadashi Marumoto; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Heterolytic Cleavage of Dihydrogen Promoted by Sulfido-Bridged Tungsten-Ruthenium Dinuclear Complexes","Journal of the American Chemical Society","2003","125","","7978","7988","10.1021/ja029941x","","","0.7107","MoKα","","","0.0402","","","","0.054","","","","","","2.195","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113851","12.567","0.0006","13.764","0.001","14.728","0.001","77.6218","0.0006","77.0646","0.0005","82.866","0.001","2417.4","0.3","273.2","","","","","","","","","","","9","P -1","-P 1","2","","","","- C49 H48 F3 N O3 P2 Ru S4 W -","- C49 H48 F3 N O3 P2 Ru S4 W -","- C98 H96 F6 N2 O6 P4 Ru2 S8 W2 -","2","1","","Yasuhiro Ohki; Nobuo Matsuura; Tadashi Marumoto; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Heterolytic Cleavage of Dihydrogen Promoted by Sulfido-Bridged Tungsten-Ruthenium Dinuclear Complexes","Journal of the American Chemical Society","2003","125","","7978","7988","10.1021/ja029941x","","","0.7107","MoKα","","","0.0284","","","","0.0508","","","","","","1.907","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113852","14.857","0.002","16.402","0.003","22.9772","0.0008","90","","94.7078","0.0008","90","","5580.3","1.3","193.2","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H45 F3 O4 P2 Ru S4 W -","- C48 H45 F3 O4 P2 Ru S4 W -","- C192 H180 F12 O16 P8 Ru4 S16 W4 -","4","1","","Yasuhiro Ohki; Nobuo Matsuura; Tadashi Marumoto; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Heterolytic Cleavage of Dihydrogen Promoted by Sulfido-Bridged Tungsten-Ruthenium Dinuclear Complexes","Journal of the American Chemical Society","2003","125","","7978","7988","10.1021/ja029941x","","","0.7107","MoKα","","","0.0754","","","","0.091","","","","","","4.707","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113853","12.9743","0.0006","24.498","0.002","14.9406","0.0002","90","","91.916","0.0003","90","","4746.1","0.4","193.2","","","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C49 H48 F3 N O4 P2 Ru S3 W -","- C49 H48 F3 N O4 P2 Ru S3 W -","- C196 H192 F12 N4 O16 P8 Ru4 S12 W4 -","4","1","","Yasuhiro Ohki; Nobuo Matsuura; Tadashi Marumoto; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Heterolytic Cleavage of Dihydrogen Promoted by Sulfido-Bridged Tungsten-Ruthenium Dinuclear Complexes","Journal of the American Chemical Society","2003","125","","7978","7988","10.1021/ja029941x","","","0.7107","MoKα","","","0.0276","","","","0.0355","","","","","","2.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113854","6.057","0.004","8.667","0.006","23.73","0.02","90","","90","","90","","1245.7","1.6","173.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N4 -","- C13 H16 N4 -","- C52 H64 N16 -","4","1","","Shin Kamijo; Tienan Jin; Zhibao Huo; Yoshinori Yamamoto","Synthesis of Triazoles from Nonactivated Terminal Alkynes via the Three-Component Coupling Reaction Using a Pd(0)-Cu(I) Bimetallic Catalyst","Journal of the American Chemical Society","2003","125","","7786","7787","10.1021/ja034191s","","","0.7107","MoKα","","","0.0445","","","","0.0536","","","","","","1.377","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113855","33.3063","0.0015","33.3063","0.0015","13.8485","0.0009","90","","90","","90","","15362.3","1.4","193","2","193","2","","","","","","","","8","I 41/a :2","-I 4ad","88","compound(1a)","","","- C32 H24 Au2 F3 N2 O7 P2 S -","- C32 H24 Au2 F3 N2 O7 P2 S -","- C512 H384 Au32 F48 N32 O112 P32 S16 -","16","1","","Young-A Lee; Richard Eisenberg","Luminescence Tribochromism and Bright Emission in Gold(I) Thiouracilate Complexes","Journal of the American Chemical Society","2003","125","","7778","7779","10.1021/ja034560k","","","0.71073","MoKα","","0.0631","0.0516","","","0.1441","0.1508","","","","","","1.073","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113856","13.8976","0.0012","21.5548","0.0019","26.928","0.002","84.383","0.002","77.259","0.002","83.48","0.002","7794.9","1.1","193","2","193","2","","","","","","","","8","P -1","-P 1","2","compound(1b)","","","- C132 H104 Au8 F9 N8 O22 P8 S4 -","- C132 H104 Au8 F9 N8 O22 P8 S4 -","- C264 H208 Au16 F18 N16 O44 P16 S8 -","2","1","","Young-A Lee; Richard Eisenberg","Luminescence Tribochromism and Bright Emission in Gold(I) Thiouracilate Complexes","Journal of the American Chemical Society","2003","125","","7778","7779","10.1021/ja034560k","","","0.71073","MoKα","","0.078","0.0556","","","0.1472","0.1545","","","","","","1.073","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113857","12.3737","0.0006","29.1208","0.0014","17.4858","0.0008","90","","93.657","0.001","90","","6287.9","0.5","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","compound(2b)","","","- C63 H54 Au4 N4 O5 P4 S2 -","- C63 H54 Au4 N4 O5 P4 S2 -","- C252 H216 Au16 N16 O20 P16 S8 -","4","1","","Young-A Lee; Richard Eisenberg","Luminescence Tribochromism and Bright Emission in Gold(I) Thiouracilate Complexes","Journal of the American Chemical Society","2003","125","","7778","7779","10.1021/ja034560k","","","0.71073","MoKα","","0.0662","0.0424","","","0.0795","0.0862","","","","","","0.966","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113858","9.025","0.001","21.315","0.001","27.449","0.002","102.37","0.002","90.806","0.002","89.802","0.003","5157.2","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32 K N9 O16 P2 Zn2 -","- C38 H32 K N9 O16 P2 Zn2 -","- C152 H128 K4 N36 O64 P8 Zn8 -","4","2","","Dong Hoon Lee; Ja Hyun Im; Seung Uk Son; Young Keun Chung; Jong-In Hong","An Azophenol-based Chromogenic Pyrophosphate Sensor in Water","Journal of the American Chemical Society","2003","125","","7752","7753","10.1021/ja034689u","","","0.71073","MoKα","","0.3017","0.1428","","","0.3956","0.4369","","","","","","1.102","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113859","13.0395","0.0012","18.0525","0.0017","17.8407","0.0017","90","","103.389","0.002","90","","4085.5","0.7","273","2","273","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 Cl7 N6 O2 Pt2 Ru S2 -","- C31 H29 Cl7 N6 O2 Pt2 Ru S2 -","- C124 H116 Cl28 N24 O8 Pt8 Ru4 S8 -","4","1","","Cheuk-Fai Chow; Brenda K. W. Chiu; Michael H. W. Lam; Wai-Yeung Wong","A Trinuclear Heterobimetallic Ru(II)/Pt(II) Complex as a Chemodosimeter Selective for Sulfhydryl-Containing Amino Acids and Peptides","Journal of the American Chemical Society","2003","125","","7802","7803","10.1021/ja034891x","","","0.71073","MoKα","","0.092","0.0442","","","0.0958","0.1152","","","","","","0.935","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113860","13.107","0.0015","13.1084","0.0015","10.8607","0.0011","90","","90","","90","","1866","0.4","295","2","295","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C32 H68 Cr2 N8 -","- C32 H68 Cr2 N8 -","- C64 H136 Cr4 N16 -","2","0.25","","Azwana R. Sadique; Mary Jane Heeg; Charles H. Winter","A Weak, Short Metal-Metal Bond in a Chromium(II) Amidinate Complex","Journal of the American Chemical Society","2003","125","","7774","7775","10.1021/ja035082g","","","0.71073","MoKα","","0.0534","0.0341","","","0.0938","0.1","","","","","","0.992","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113861","15.5859","0.0002","10.8807","0.0001","29.6653","0.0004","90","","103.26","0.004","90","","4896.68","0.13","210","2","210","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H47 P3 Ru Si2 -","- C15 H46 P4 Ru Si -","- C120 H368 P32 Ru8 Si8 -","8","1","","Vladimir K. Dioumaev; Leo J. Procopio; Patrick J. Carroll; Donald H. Berry","Synthesis and Reactivity of Silyl Ruthenium Complexes: The Importance of Trans Effects in C-H Activation, Si-C Bond Formation, and Dehydrogenative Coupling of Silanes","Journal of the American Chemical Society","2003","125","","8043","8058","10.1021/ja035131p","","","0.71069","MoKα","","0.0444","0.0391","","0.1024","0.0984","","","","1.125","1.135","1.135","","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113862","12.3876","0.0001","23.6973","0.0003","10.2102","0.0001","90","","97.801","0.001","90","","2969.49","0.05","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H54 P4 Ru Si2 -","- C18 H54 P4 Ru Si2 -","- C72 H216 P16 Ru4 Si8 -","4","1","","Vladimir K. Dioumaev; Leo J. Procopio; Patrick J. Carroll; Donald H. Berry","Synthesis and Reactivity of Silyl Ruthenium Complexes: The Importance of Trans Effects in C-H Activation, Si-C Bond Formation, and Dehydrogenative Coupling of Silanes","Journal of the American Chemical Society","2003","125","","8043","8058","10.1021/ja035131p","","","0.7107","MoKα","","0.0512","0.0448","","0.1035","0.1004","","","","1.182","1.194","1.194","","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113863","9.113","0.001","29.26","0.005","9.353","0.002","90","","106.13","0.01","90","","2395.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H44 P4 Ru Si -","- C14 H44 P4 Ru Si -","- C56 H176 P16 Ru4 Si4 -","4","1","","Vladimir K. Dioumaev; Leo J. Procopio; Patrick J. Carroll; Donald H. Berry","Synthesis and Reactivity of Silyl Ruthenium Complexes: The Importance of Trans Effects in C-H Activation, Si-C Bond Formation, and Dehydrogenative Coupling of Silanes","Journal of the American Chemical Society","2003","125","","8043","8058","10.1021/ja035131p","","","0.71073","MoKα","","","0.049","","","0.06","","","","","1.81","1.81","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113864","14.22","0.001","9.802","0.003","16.265","0.004","90","","96.67","0.01","90","","2251.7","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H39 P3 Ru Si -","- C12 H39 P3 Ru Si -","- C48 H156 P12 Ru4 Si4 -","4","1","","Vladimir K. Dioumaev; Leo J. Procopio; Patrick J. Carroll; Donald H. Berry","Synthesis and Reactivity of Silyl Ruthenium Complexes: The Importance of Trans Effects in C-H Activation, Si-C Bond Formation, and Dehydrogenative Coupling of Silanes","Journal of the American Chemical Society","2003","125","","8043","8058","10.1021/ja035131p","","","0.71073","MoKα","","","0.034","","","0.039","","","","","1.06","1.06","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113865","15.2642","0.0002","10.9388","0.0001","31.0714","0.0004","90","","103.982","0.001","90","","5034.34","0.11","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H48 P4 Ru Si -","- C16 H48 P4 Ru Si -","- C128 H384 P32 Ru8 Si8 -","8","1","","Vladimir K. Dioumaev; Leo J. Procopio; Patrick J. Carroll; Donald H. Berry","Synthesis and Reactivity of Silyl Ruthenium Complexes: The Importance of Trans Effects in C-H Activation, Si-C Bond Formation, and Dehydrogenative Coupling of Silanes","Journal of the American Chemical Society","2003","125","","8043","8058","10.1021/ja035131p","","","0.71069","MoKα","","0.0653","0.0554","","0.1295","0.1239","","","","1.215","1.238","1.238","","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113866","9.8954","0.0015","8.833","0.0013","24.243","0.003","90","","93.538","0.005","90","","2114.9","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H51 Br N2 O9 S -","- C41 H51 Br N2 O9 S -","- C82 H102 Br2 N4 O18 S2 -","2","1","","Ruichao Shen; Cheng Ting Lin; Emma Jean Bowman; Barry J. Bowman; John A. Porco","Lobatamide C: Total Synthesis, Stereochemical Assignment, Preparation of Simplified Analogues, and V-ATPase Inhibition Studies","Journal of the American Chemical Society","2003","125","","7889","7901","10.1021/ja0352350","","","0.71073","MoKα","","0.075","0.0524","","","0.1265","0.1379","","","","","","0.994","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113867","5.5407","0.0005","7.4651","0.0007","8.8448","0.0009","90","","90.841","0.002","90","","365.8","0.06","293","0.2","293","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Ba Mo2 O9 Te -","- Ba Mo2 O9 Te -","- Ba2 Mo4 O18 Te2 -","2","1","","Hyun-Seup Ra; Kang Min Ok; P. Shiv Halasyamani","Combining Second-Order Jahn-Teller Distorted Cations to Create Highly Efficient SHG Materials: Synthesis, Characterization, and NLO Properties of BaTeM2O9 (M = Mo6+ or W6+)","Journal of the American Chemical Society","2003","125","","7764","7765","10.1021/ja035314b","","","0.71073","MoKα","","0.0313","0.0305","","","0.0781","0.0787","","","","","","1.078","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113868","5.49","0.002","7.446","0.003","8.887","0.003","90","","90.37","0.006","90","","363.3","0.2","293","0.2","293","0.2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- Ba O9 Te W2 -","- Ba O9 Te W2 -","- Ba2 O18 Te2 W4 -","2","1","","Hyun-Seup Ra; Kang Min Ok; P. Shiv Halasyamani","Combining Second-Order Jahn-Teller Distorted Cations to Create Highly Efficient SHG Materials: Synthesis, Characterization, and NLO Properties of BaTeM2O9 (M = Mo6+ or W6+)","Journal of the American Chemical Society","2003","125","","7764","7765","10.1021/ja035314b","","x-ray","0.71073","MoKα","","0.0601","0.06","","","0.1589","0.1591","","","","","","1.082","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113869","10.4353","0.001","10.5321","0.0005","20.91","0.002","101.872","0.006","97.271","0.009","109.371","0.006","2073.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis(dicyclohexyl(2-biphenylyl)phosphine)palladium(0)","","- C48 H62 P2 Pd -","- C48 H62 P2 Pd -","- C96 H124 P4 Pd2 -","2","1","","Steven M. Reid; Robert C. Boyle; Joel T. Mague; Mark J. Fink","A Dicoordinate Palladium(0) Complex with an Unusual Intramolecular η1-Arene Coordination","Journal of the American Chemical Society","2003","125","","7816","7817","10.1021/ja0361493","","","0.71073","MoKα","","0.1221","0.0382","","","0.0802","0.0965","","","","","","0.999","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113870","8.9389","0.0002","6.2634","0.0002","24.0333","0.0006","90","","98.464","0.002","90","","1330.92","0.06","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H37 N O6 Si -","- C26 H37 N O6 Si -","- C52 H74 N2 O12 Si2 -","2","1","","Ming Yu; Brian L. Pagenkopf","Formal [3 + 2] Cycloadditions of Donor-Acceptor Cyclopropanes and Nitriles","Journal of the American Chemical Society","2003","125","","8122","8123","10.1021/ja029716f","","","0.71073","MoKα","","0.1313","0.0678","","","0.099","0.1232","","","","","","1.087","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113871","9.689","0.0008","14.115","0.0013","15.61","0.002","105.82","0.004","100.184","0.003","98.048","0.003","1981.3","0.4","298","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C19 H27 N O2 S2 -","- C19 H27 N O2 S2 -","- C76 H108 N4 O8 S8 -","4","2","","Takashi Otani; Jun Takayama; Yoshiaki Sugihara; Akihiko Ishii; Juzo Nakayama","π-Face-Selective Diels-Alder Reactions of 3,4-Di-tert-butylthiophene 1-Oxide and 1-Imide and Formation of 1,2-Thiazetidines","Journal of the American Chemical Society","2003","125","","8255","8263","10.1021/ja029867i","","","0.71073","MoKα","","0.2027","0.0785","","","0.1585","0.2017","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113872","21.4715","0.0012","21.4715","0.0012","15.368","0.0011","90","","90","","90","","7085","0.8","153","","","","","","","","","","Local laboratory","4","P 4/n :2","-P 4a","85","","","","- C16 H22 O4 S -","- C16 H22 O4 S -","- C256 H352 O64 S16 -","16","2","","Takashi Otani; Jun Takayama; Yoshiaki Sugihara; Akihiko Ishii; Juzo Nakayama","π-Face-Selective Diels-Alder Reactions of 3,4-Di-tert-butylthiophene 1-Oxide and 1-Imide and Formation of 1,2-Thiazetidines","Journal of the American Chemical Society","2003","125","","8255","8263","10.1021/ja029867i","","","0.71073","MoKα","","0.2258","0.0991","","","0.2441","0.2741","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113873","8.786","0.0004","8.898","0.0004","21.61","0.0013","90","","100.686","0.002","90","","1660.13","0.15","153","","","","","","","","","","Local laboratory","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C68 H100 N4 O12 S4 -","4","1","","Takashi Otani; Jun Takayama; Yoshiaki Sugihara; Akihiko Ishii; Juzo Nakayama","π-Face-Selective Diels-Alder Reactions of 3,4-Di-tert-butylthiophene 1-Oxide and 1-Imide and Formation of 1,2-Thiazetidines","Journal of the American Chemical Society","2003","125","","8255","8263","10.1021/ja029867i","","","0.71073","MoKα","","0.0507","0.0403","","","0.0966","0.1012","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113874","9.037","0.0005","15.581","0.0009","13.245","0.001","90","","106.16","0.18","90","","1791.3","1.6","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 O S -","- C19 H30 O S -","- C76 H120 O4 S4 -","4","1","","Takashi Otani; Jun Takayama; Yoshiaki Sugihara; Akihiko Ishii; Juzo Nakayama","π-Face-Selective Diels-Alder Reactions of 3,4-Di-tert-butylthiophene 1-Oxide and 1-Imide and Formation of 1,2-Thiazetidines","Journal of the American Chemical Society","2003","125","","8255","8263","10.1021/ja029867i","","","0.71073","MoKα","","0.1017","0.0633","","","0.1575","0.1745","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113875","7.2296","0.0014","21.916","0.004","15.376","0.004","90","","105.03","0.06","90","","2352.9","1.1","298","","","","","","","","","","Local laboratory","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 N O5 S2 -","- C23 H20 N O5 S2 -","- C92 H80 N4 O20 S8 -","4","1","","Takashi Otani; Jun Takayama; Yoshiaki Sugihara; Akihiko Ishii; Juzo Nakayama","π-Face-Selective Diels-Alder Reactions of 3,4-Di-tert-butylthiophene 1-Oxide and 1-Imide and Formation of 1,2-Thiazetidines","Journal of the American Chemical Society","2003","125","","8255","8263","10.1021/ja029867i","","","1.54178","CuKα","","0.0979","0.0877","","","0.2103","0.2174","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113876","7.688","0.0007","28.758","0.002","12.278","0.0014","90","","92.76","0.003","90","","2711.4","0.4","298","","","","","","","","","","Local laboratory","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N4 O4 S2 -","- C27 H32 N4 O4 S2 -","- C108 H128 N16 O16 S8 -","4","1","","Takashi Otani; Jun Takayama; Yoshiaki Sugihara; Akihiko Ishii; Juzo Nakayama","π-Face-Selective Diels-Alder Reactions of 3,4-Di-tert-butylthiophene 1-Oxide and 1-Imide and Formation of 1,2-Thiazetidines","Journal of the American Chemical Society","2003","125","","8255","8263","10.1021/ja029867i","","","0.71073","MoKα","","0.1787","0.0832","","","0.1594","0.1821","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113877","7.807","0.0007","10.952","0.0006","14.109","0.0011","66.974","0.005","82.138","0.004","85.308","0.006","1099.27","0.15","153","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C22 H28 N4 O3 S -","- C22 H28 N4 O3 S -","- C44 H56 N8 O6 S2 -","2","1","","Takashi Otani; Jun Takayama; Yoshiaki Sugihara; Akihiko Ishii; Juzo Nakayama","π-Face-Selective Diels-Alder Reactions of 3,4-Di-tert-butylthiophene 1-Oxide and 1-Imide and Formation of 1,2-Thiazetidines","Journal of the American Chemical Society","2003","125","","8255","8263","10.1021/ja029867i","","","0.71073","MoKα","","0.1129","0.0593","","","0.1209","0.1447","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113878","9.9086","0.0004","12.8372","0.0006","42.2856","0.0012","90","","90","","90","","5378.7","0.4","210","2","210","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","9-hydroxy-3-isopropenyl-8,14-dimethyl-2-(triethyl-silanyloxy)- 2,6,7,8,9,11,12,13,14,17-decahydro-3H,5H-4,16-dioxa-cyclopenta[a]phenanthren- 15-one","","- C26 H42 O5 Si -","- C24.5 H27 O5 Si -","- C196 H216 O40 Si8 -","8","1","","Amos B. Smith; Naoki Kanoh; Haruaki Ishiyama; Noriaki Minakawa; Jon D. Rainier; Richard A. Hartz; Young Shin Cho; Haifeng Cui; William H. Moser","Tremorgenic Indole Alkaloids. The Total Synthesis of (-)-Penitrem D","Journal of the American Chemical Society","2003","125","","8228","8237","10.1021/ja034842k","","","0.71069","MoKα","","0.101","0.093","","0.2657","0.2538","","","","1.07","1.087","1.087","","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113879","11.769","0.004","16.206","0.007","14.05","0.005","90","","91.08","0.03","90","","2679.3","1.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 Br N O3 -","- C31 H36 Br N O3 -","- C124 H144 Br4 N4 O12 -","4","1","","Amos B. Smith; Naoki Kanoh; Haruaki Ishiyama; Noriaki Minakawa; Jon D. Rainier; Richard A. Hartz; Young Shin Cho; Haifeng Cui; William H. Moser","Tremorgenic Indole Alkaloids. The Total Synthesis of (-)-Penitrem D","Journal of the American Chemical Society","2003","125","","8228","8237","10.1021/ja034842k","","","0.71073","MoKα","","0.1668","0.0536","","","0.1101","0.1448","","","","","","0.948","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113880","9.7585","0.0009","7.1081","0.0005","11.1343","0.0008","90","","102.922","0.004","90","","752.77","0.1","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-isopropenyl-6a-methyl-2,3,4a,5,6,6a,7,8,9,10-decahydro-1H-benzo[f]chromen-2-ol","","- C17 H26 O2 -","- C17 H26 O2 -","- C34 H52 O4 -","2","1","","Amos B. Smith; Naoki Kanoh; Haruaki Ishiyama; Noriaki Minakawa; Jon D. Rainier; Richard A. Hartz; Young Shin Cho; Haifeng Cui; William H. Moser","Tremorgenic Indole Alkaloids. The Total Synthesis of (-)-Penitrem D","Journal of the American Chemical Society","2003","125","","8228","8237","10.1021/ja034842k","","","0.71069","MoKα","","0.0674","0.0582","","0.1148","0.1087","","","","1.205","1.222","1.222","","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113881","10.3925","0.0014","23.112","0.002","6.4688","0.001","90","","90","","90","","1553.8","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-isopropenyl-6a-methyl-2,3,4a,5,6,6a,7,8,9,10-decahydro-benzo[f]chromene-2, 10a-diol","","- C17 H26 O3 -","- C17 H26 O3 -","- C68 H104 O12 -","4","1","","Amos B. Smith; Naoki Kanoh; Haruaki Ishiyama; Noriaki Minakawa; Jon D. Rainier; Richard A. Hartz; Young Shin Cho; Haifeng Cui; William H. Moser","Tremorgenic Indole Alkaloids. The Total Synthesis of (-)-Penitrem D","Journal of the American Chemical Society","2003","125","","8228","8237","10.1021/ja034842k","","","0.71069","MoKα","","0.0923","0.0821","","0.2098","0.2017","","","","1.13","1.17","1.17","","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113882","10.9982","0.0005","10.2218","0.0006","17.0659","0.0011","90","","104.751","0.002","90","","1855.34","0.18","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H53 N O3 Si -","- C40 H57 N O3 Si -","- C80 H114 N2 O6 Si2 -","2","1","","Amos B. Smith; Naoki Kanoh; Haruaki Ishiyama; Noriaki Minakawa; Jon D. Rainier; Richard A. Hartz; Young Shin Cho; Haifeng Cui; William H. Moser","Tremorgenic Indole Alkaloids. The Total Synthesis of (-)-Penitrem D","Journal of the American Chemical Society","2003","125","","8228","8237","10.1021/ja034842k","","","0.71069","MoKα","","0.0898","0.0748","","0.1428","0.1339","","","","1.175","1.212","1.212","","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113883","12.773","0.003","16.911","0.004","17.389","0.004","90","0.005","94.983","0.006","90","0.006","3741.9","1.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H54 O Si4 Zr -","- C34 H54 O Si4 Zr -","- C136 H216 O4 Si16 Zr4 -","4","1","","Christopher A. Bradley; Emil Lobkovsky; Paul J. Chirik","Synthesis of a Zirconium Sandwich Complex and Crystallographic Characterization of Its Adduct with Tetrahydrofuran","Journal of the American Chemical Society","2003","125","","8110","8111","10.1021/ja035594v","","","0.71073","MoKα","","0.0849","0.0532","","","0.1448","0.1618","","","","","","1.045","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113884","10.3208","0.0015","11.454","0.0017","18.018","0.003","97.191","0.003","97.918","0.003","104.53","0.003","2013.7","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H58 O2 Si4 Zr -","- C37.5 H46 O2 Si4 Zr -","- C75 H92 O4 Si8 Zr2 -","2","1","","Christopher A. Bradley; Emil Lobkovsky; Paul J. Chirik","Synthesis of a Zirconium Sandwich Complex and Crystallographic Characterization of Its Adduct with Tetrahydrofuran","Journal of the American Chemical Society","2003","125","","8110","8111","10.1021/ja035594v","","","0.71073","MoKα","","0.0451","0.0339","","","0.0866","0.0914","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113885","14.7702","0.0015","13.1948","0.0013","20.685","0.002","90","","96.017","0.003","90","","4009.1","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H56 N2 Si4 Zr -","- C37 H56 N2 Si4 Zr -","- C148 H224 N8 Si16 Zr4 -","4","1","","Christopher A. Bradley; Emil Lobkovsky; Paul J. Chirik","Synthesis of a Zirconium Sandwich Complex and Crystallographic Characterization of Its Adduct with Tetrahydrofuran","Journal of the American Chemical Society","2003","125","","8110","8111","10.1021/ja035594v","","","0.71073","MoKα","","0.1002","0.0568","","","0.1211","0.1383","","","","","","1.011","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113886","13.776","0.002","15.674","0.003","14.189","0.002","90","","105.957","0.002","90","","2945.7","0.8","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 F5 N7 Ti -","- C24 H40 F5 N7 Ti -","- C96 H160 F20 N28 Ti4 -","4","0.5","","Tiow-Gan Ong; Glenn P. A. Yap; Darrin S. Richeson","Catalytic Construction and Reconstruction of Guanidines: Ti-Mediated Guanylation of Amines and Transamination of Guanidines","Journal of the American Chemical Society","2003","125","","8100","8101","10.1021/ja035716j","","","0.71073","MoKα","","0.0586","0.0426","","","0.0995","0.1079","","","","","","1.075","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113887","16.9366","0.0017","11.4823","0.0011","18.958","0.0019","90","","91.165","0.002","90","","3686","0.6","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H54 F5 N9 Ti -","- C31 H54 F5 N9 Ti -","- C124 H216 F20 N36 Ti4 -","4","1","","Tiow-Gan Ong; Glenn P. A. Yap; Darrin S. Richeson","Catalytic Construction and Reconstruction of Guanidines: Ti-Mediated Guanylation of Amines and Transamination of Guanidines","Journal of the American Chemical Society","2003","125","","8100","8101","10.1021/ja035716j","","","0.71073","MoKα","","0.1178","0.0646","","","0.1237","0.1429","","","","","","1.017","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113888","15.368","0.004","11.131","0.003","8.602","0.002","90","","94.647","0.004","90","","1466.6","0.6","203","2","203","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H23 N3 O -","- C14 H23 N3 O -","- C56 H92 N12 O4 -","4","1","","Tiow-Gan Ong; Glenn P. A. Yap; Darrin S. Richeson","Catalytic Construction and Reconstruction of Guanidines: Ti-Mediated Guanylation of Amines and Transamination of Guanidines","Journal of the American Chemical Society","2003","125","","8100","8101","10.1021/ja035716j","","","0.71073","MoKα","","0.1016","0.069","","","0.1545","0.1705","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113889","14.8233","0.0007","10.733","0.0005","18.2072","0.0008","90","","112.067","0.001","90","","2684.5","0.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 B N6 Pt -","- C27 H33 B N6 Pt -","- C108 H132 B4 N24 Pt4 -","4","1","","Michael P. Jensen; Douglas D. Wick; Stefan Reinartz; Peter S. White; Joseph L. Templeton; Karen I. Goldberg","Reductive Elimination/Oxidative Addition of Carbon-Hydrogen Bonds at Pt(IV)/Pt(II) Centers: Mechanistic Studies of the Solution Thermolyses of TpMe2Pt(CH3)2H","Journal of the American Chemical Society","2003","125","","8614","8624","10.1021/ja028477t","","","0.71073","MolybdenumKα","","0.056","0.039","","0.051","0.046","","","","","1.84","1.84","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113890","10.26","0.002","13.106","0.004","32.814","0.011","95.487","0.009","90.497","0.015","100.881","0.015","4312","2","95","2","95","2","","","","","","","","4","P -1","-P 1","2","","","","- C90 H120 N4 O10 -","- C90 H120 N4 O10 -","- C180 H240 N8 O20 -","2","1","","Andrzej Rajca; Maren Pink; Teerapat Rojsajjakul; Kan Lu; Hua Wang; Suchada Rajca","X-ray Crystallography and Magnetic Studies of a Stable Macrocyclic Tetranitroxide. Intramolecular Dimer of Nitroxides in a Constrained Geometry of the Upper Rim of Calix[4]arene","Journal of the American Chemical Society","2003","125","","8534","8538","10.1021/ja034115p","","","0.55942","","","0.1655","0.1253","","","0.3164","0.3361","","","","","","1.082","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4113891","10.2842","0.0007","13.0555","0.0008","33.167","0.002","95.779","0.001","96.733","0.001","100.26","0.001","4317.9","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C90.31 H121.24 N4 O10.31 -","- C90.3172 H121.269 N4 O10.3172 -","- C180.634 H242.538 N8 O20.6344 -","2","1","","Andrzej Rajca; Maren Pink; Teerapat Rojsajjakul; Kan Lu; Hua Wang; Suchada Rajca","X-ray Crystallography and Magnetic Studies of a Stable Macrocyclic Tetranitroxide. Intramolecular Dimer of Nitroxides in a Constrained Geometry of the Upper Rim of Calix[4]arene","Journal of the American Chemical Society","2003","125","","8534","8538","10.1021/ja034115p","","","0.71073","MoKα","","0.1348","0.064","","","0.168","0.1994","","","","","","0.926","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4113892","18.555","0.003","18.555","0.003","15.958","0.003","90","","90","","90","","5494.1","1.6","173","2","173","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C51 H48.5 Ag2 B2 F8 N9.5 -","- C51 H48 Ag2 B2 F8 N9.5 -","- C204 H192 Ag8 B8 F32 N38 -","4","0.25","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.145","0.0855","","","0.2623","0.2933","","","","","","0.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113893","10.0439","0.0012","11.5002","0.0014","12.4933","0.0016","63.602","0.002","86.826","0.002","87.684","0.002","1290.4","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H48 Ag2 F6 N8 O6 S2 -","- C52 H48 Ag2 F6 N8 O6 S2 -","- C52 H48 Ag2 F6 N8 O6 S2 -","1","0.5","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.0935","0.0515","","","0.1086","0.1198","","","","","","1","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113894","9.1423","0.0006","11.4306","0.0008","15.1363","0.001","73.591","0.001","75.077","0.001","74.325","0.001","1432.53","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H52 Ag2 F6 N8 O6 S2 -","- C53.8 H52 Ag2 F5.4 N8 O6.6 S2.2 -","- C53.8 H52 Ag2 F5.4 N8 O6.6 S2.2 -","1","0.5","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.076","0.0544","","","0.1644","0.1776","","","","","","1.013","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113895","14.0129","0.0013","14.0129","0.0013","23.119","0.003","90","","90","","120","","3931.5","0.7","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C80 H78 Ag2 F6 N12 O6 S2 -","- C79.99 H78 Ag2 F5.97 N12 O5.99 S1.99 -","- C159.98 H156 Ag4 F11.94 N24 O11.98 S3.98 -","2","0.166667","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.1245","0.0716","","","0.1935","0.2409","","","","","","1.05","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113896","18.6162","0.0011","18.6162","0.0011","16.184","0.0013","90","","90","","90","","5608.8","0.7","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C100 H96 Cl4 Cu2 N16 O16 -","- C100 H96 Cl4.06 Cu2 N16 O16 -","- C200 H192 Cl8.12 Cu4 N32 O32 -","2","0.125","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.1166","0.107","","","0.2353","0.2392","","","","","","1.136","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113897","15.301","0.002","15.301","0.002","23.303","0.005","90","","90","","90","","5455.7","1.5","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C100 H116 Cl4 N16 Ni2 O10 -","- C100 H96 Cl4 N16 Ni2 O10 -","- C200 H192 Cl8 N32 Ni4 O20 -","2","0.125","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.2125","0.0798","","","0.1981","0.2398","","","","","","0.982","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113898","27.824","0.004","27.824","0.004","18.108","0.004","90","","90","","90","","14019","4","173","2","173","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C68 H65 Ag3 B3 F12 N13 O -","- C68 H60 Ag3 B3 F12 N13 O -","- C544 H480 Ag24 B24 F96 N104 O8 -","8","1","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.145","0.0801","","","0.1859","0.2331","","","","","","1.017","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113899","28.108","0.003","28.108","0.003","18.335","0.003","90","","90","","90","","14486","3","294","2","294","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C68.5 H65.5 Ag3 Cl3 N13 O12.75 -","- C68.5 H65 Ag3 Cl3 N13 O12.75 -","- C548 H520 Ag24 Cl24 N104 O102 -","8","1","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.2278","0.0643","","","0.1573","0.2091","","","","","","0.928","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113900","16.935","0.003","17.165","0.003","30.625","0.006","101.72","0.03","102.94","0.03","91.36","0.03","8473","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H144 Cu10 I10 N24 O7 -","- C132 H120 Cu10 I10 N24 O7 -","- C264 H240 Cu20 I20 N48 O14 -","2","1","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.1108","0.0847","","","0.2301","0.2471","","","","","","1.052","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113901","19.893","0.006","40.398","0.013","23.814","0.009","90","","108.19","0.02","90","","18181","11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C138 H138 Cu10 I10 N24 O6 -","- C138 H126 Cu10 I10 N24 O5.6 -","- C552 H504 Cu40 I40 N96 O22.4 -","4","1","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.2241","0.0817","","","0.1726","0.211","","","","","","0.929","","","","has coordinates,has disorder","178910","2020-10-21","18:00:00",""
"4113902","13.6932","0.0001","17.2175","0.0003","17.4876","0.0004","90","","104.717","0.001","90","","3987.66","0.12","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1.0.5Et2O","","","- C40 H33 Au2 Cl2 O0.5 P2 -","- C40 H33 Au2 Cl2 O0.5 P2 -","- C160 H132 Au8 Cl8 O2 P8 -","4","1","","Ke Zhang; Janardhana Prabhavathy; John H. K. Yip; Lip Lin Koh; Geok Kheng Tan; Jagadese J. Vittal","First Examples of AuI-X-AgI Halonium Cations (X = Cl and Br)","Journal of the American Chemical Society","2003","125","","8452","8453","10.1021/ja035064z","","","0.71073","MoKα","","0.0615","0.0359","","","0.0762","0.0808","","","","","","1.195","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113903","13.7116","0.0008","17.2149","0.001","17.5732","0.001","90","","104.468","0.001","90","","4016.5","0.4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2.Et2O","","","- C42 H38 Au2 Br2 O P2 -","- C42 H38 Au2 Br2 O P2 -","- C168 H152 Au8 Br8 O4 P8 -","4","1","","Ke Zhang; Janardhana Prabhavathy; John H. K. Yip; Lip Lin Koh; Geok Kheng Tan; Jagadese J. Vittal","First Examples of AuI-X-AgI Halonium Cations (X = Cl and Br)","Journal of the American Chemical Society","2003","125","","8452","8453","10.1021/ja035064z","","","0.71073","MoKα","","0.0625","0.0444","","","0.1043","0.1094","","","","","","1.004","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113904","17.952","0.003","17.952","0.003","25.388","","90","","90","","90","","8181.9","1.9","223","2","223","2","","","","","","","","8","I 4/m","-I 4","87","3.2CH2Cl2","","","- C78 H60 Ag Au4 Cl8 F6 P4 Sb -","- C78 H60 Ag Au4 Cl8 F6 P4 Sb -","- C312 H240 Ag4 Au16 Cl32 F24 P16 Sb4 -","4","0.25","","Ke Zhang; Janardhana Prabhavathy; John H. K. Yip; Lip Lin Koh; Geok Kheng Tan; Jagadese J. Vittal","First Examples of AuI-X-AgI Halonium Cations (X = Cl and Br)","Journal of the American Chemical Society","2003","125","","8452","8453","10.1021/ja035064z","","","0.71073","MoKα","","0.0647","0.0454","","","0.1213","0.1318","","","","","","1.056","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113905","18.018","0.0005","18.018","0.0005","25.702","0.0013","90","","90","","90","","8344.1","0.5","223","2","223","2","","","","","","","","9","I 4/m","-I 4","87","4.2CH2Cl2","","","- C78 H60 Ag Au4 Br4 Cl4 F6 P4 Sb -","- C78 H60 Ag Au4 Br4 Cl4 F6 P4 Sb -","- C312 H240 Ag4 Au16 Br16 Cl16 F24 P16 Sb4 -","4","0.25","","Ke Zhang; Janardhana Prabhavathy; John H. K. Yip; Lip Lin Koh; Geok Kheng Tan; Jagadese J. Vittal","First Examples of AuI-X-AgI Halonium Cations (X = Cl and Br)","Journal of the American Chemical Society","2003","125","","8452","8453","10.1021/ja035064z","","","0.71073","MoKα","","0.0943","0.054","","","0.1356","0.1536","","","","","","1.02","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113906","9.8887","0.0005","13.1481","0.0006","15.3131","0.0007","108.03","0.001","106.053","0.001","101.948","0.001","1723.59","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H88 N10 O10 -","- C76 H88 N10 O10 -","- C76 H88 N10 O10 -","1","0.5","","Alessio Altieri; Francesco G. Gatti; Euan R. Kay; David A. Leigh; David Martel; Francesco Paolucci; Alexandra M. Z. Slawin; Jenny K. Y. Wong","Electrochemically Switchable Hydrogen-Bonded Molecular Shuttles","Journal of the American Chemical Society","2003","125","","8644","8654","10.1021/ja0352552","","","0.71073","MoKα","","0.1902","0.0866","","0.2659","0.1894","","","","0.975","1.103","1.103","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113907","9.7938","0.0009","16.1609","0.0014","16.8676","0.0015","90","","104.956","0.002","90","","2579.3","0.4","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64 H60 N6 O6 -","- C64 H60 N6 O6 -","- C128 H120 N12 O12 -","2","0.5","","Alessio Altieri; Francesco G. Gatti; Euan R. Kay; David A. Leigh; David Martel; Francesco Paolucci; Alexandra M. Z. Slawin; Jenny K. Y. Wong","Electrochemically Switchable Hydrogen-Bonded Molecular Shuttles","Journal of the American Chemical Society","2003","125","","8644","8654","10.1021/ja0352552","","","0.71073","MoKα","","0.3409","0.1114","","","0.1964","0.284","","","","","","0.928","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113908","7.565","0.002","10.303","0.003","11.618","0.004","102.588","0.006","105.928","0.007","89.89","0.005","848.2","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C38 H38 N2 O12 -","2","1","","Yoshifumi Hachisu; Jeffrey W. Bode; Keisuke Suzuki","Catalytic Intramolecular Crossed Aldehyde-Ketone Benzoin Reactions: A Novel Synthesis of Functionalized Preanthraquinones","Journal of the American Chemical Society","2003","125","","8432","8433","10.1021/ja035308f","","","0.71073","MoKα","","0.0735","0.0563","","","0.1627","0.1734","","","","","","1.018","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113909","9.838","0.003","9.458","0.002","23.703","0.005","90","","94.34","0.02","90","","2199.2","0.9","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 Cl2 Fe N2 O -","- C19 H31 Cl2 Fe N2 O -","- C76 H124 Cl8 Fe4 N8 O4 -","4","1","","Rachel K. O'Reilly; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Design of Highly Active Iron-Based Catalysts for Atom Transfer Radical Polymerization: Tridentate Salicylaldiminato Ligands Affording near Ideal Nernstian Behavior","Journal of the American Chemical Society","2003","125","","8450","8451","10.1021/ja035458q","","","1.54178","CuKα","","0.0962","0.0555","","0.14","0.1163","","","","1.039","1.11","1.11","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113910","30.145","0.004","5.7435","0.0007","21.58","0.003","90","","105.133","0.002","90","","3606.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H82 Cl4 N16 O12 -","- C74 H82 Cl4 N16 O12 -","- C148 H164 Cl8 N32 O24 -","2","0.5","","Julius F. Remenar; Sherry L. Morissette; Matthew L. Peterson; Brian Moulton; J. Michael MacPhee; Héctor R. Guzmán; Örn Almarsson","Crystal Engineering of Novel Cocrystals of a Triazole Drug with 1,4-Dicarboxylic Acids","Journal of the American Chemical Society","2003","125","","8456","8457","10.1021/ja035776p","","","0.71073","MoKα","","0.1481","0.0927","","","0.2169","0.2489","","","","","","1.014","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113911","17.6632","0.0001","19.481","0.0001","19.6861","0.0003","91.886","0.001","113.958","0.001","113.924","0.0008","5497.91","0.12","223.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C238 H126 B4 Cl4 F96 N4 Pd8 -","- C238 H124 B4 Cl4 F96 N4 Pd8 -","- C238 H124 B4 Cl4 F96 N4 Pd8 -","1","0.5","","Tetsuro Murahashi; Tomohito Uemura; Hideo Kurosawa","Perylene-Tetrapalladium Sandwich Complexes","Journal of the American Chemical Society","2003","125","","8436","8437","10.1021/ja0358246","","","0.7107","MoKα","","","0.0447","","","","0.0679","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113912","14.7979","0.0006","15.949","0.0007","17.6093","0.0007","90","","91.488","0.001","90","","4154.6","0.3","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[[Ph2BP2]PtMe2][ASN]","","","- C48 H56 B N P2 Pt -","- C48 H56 B N P2 Pt -","- C192 H224 B4 N4 P8 Pt4 -","4","1","","J. Christopher Thomas; Jonas C. Peters","Zwitterionic and Cationic Bis(phosphine) Platinum(II) Complexes: Structural, Electronic, and Mechanistic Comparisons Relevant to Ligand Exchange and Benzene C-H Activation Processes","Journal of the American Chemical Society","2003","125","","8870","8888","10.1021/ja0296071","","","0.71073","MoKα","","0.0384","0.0273","","","0.0514","0.0529","","","","","","1.203","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113913","12.4923","0.0009","21.3358","0.0016","14.6898","0.0011","90","","90.021","0.001","90","","3915.3","0.5","96","2","96","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Ph2SiP2)Pt(Me)2toluene","","","- C47 H48 P2 Pt Si -","- C47 H48 P2 Pt Si -","- C188 H192 P8 Pt4 Si4 -","4","1","","J. Christopher Thomas; Jonas C. Peters","Zwitterionic and Cationic Bis(phosphine) Platinum(II) Complexes: Structural, Electronic, and Mechanistic Comparisons Relevant to Ligand Exchange and Benzene C-H Activation Processes","Journal of the American Chemical Society","2003","125","","8870","8888","10.1021/ja0296071","","","0.71073","MoKα","","0.0402","0.0272","","","0.0546","0.0574","","","","","","1.258","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113914","15.4697","0.001","16.0349","0.001","20.7479","0.0013","90","","90","","90","","5146.6","0.6","96","2","96","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(dppp)Pt(Me)2","","","- C29 H32 P2 Pt -","- C29 H32 P2 Pt -","- C232 H256 P16 Pt8 -","8","2","","J. Christopher Thomas; Jonas C. Peters","Zwitterionic and Cationic Bis(phosphine) Platinum(II) Complexes: Structural, Electronic, and Mechanistic Comparisons Relevant to Ligand Exchange and Benzene C-H Activation Processes","Journal of the American Chemical Society","2003","125","","8870","8888","10.1021/ja0296071","","","0.71073","MoKα","","0.0226","0.0203","","","0.0446","0.0451","","","","","","1.235","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113915","12.21","0.004","12.803","0.004","16.205","0.005","109.614","0.005","104.361","0.005","96.489","0.005","2257.6","1.2","98","2","98","2","","","","","","","","6","P -1","-P 1","2","[Ph2BP2[Pt(Me)(THF)2THF","","","- C51 H61 B O3 P2 Pt -","- C51 H61 B O3 P2 Pt -","- C102 H122 B2 O6 P4 Pt2 -","2","1","","J. Christopher Thomas; Jonas C. Peters","Zwitterionic and Cationic Bis(phosphine) Platinum(II) Complexes: Structural, Electronic, and Mechanistic Comparisons Relevant to Ligand Exchange and Benzene C-H Activation Processes","Journal of the American Chemical Society","2003","125","","8870","8888","10.1021/ja0296071","","","0.71073","MoKα","","0.0624","0.0422","","","0.0789","0.0822","","","","","","1.216","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113916","15.3609","0.0008","17.3619","0.0009","32.5391","0.0017","93.281","0.001","95.378","0.001","105.286","0.001","8303.7","0.8","98","2","98","2","","","","","","","","7","P -1","-P 1","2","[((Ph2SiP2)Pt)2(biphenyl)][B(C6F5)4]24oxylene","","","- C168 H118 B2 F40 P4 Pt2 Si2 -","- C163.2 H112 B2 F40 P4 Pt2 Si2 -","- C326.4 H224 B4 F80 P8 Pt4 Si4 -","2","1","","J. Christopher Thomas; Jonas C. Peters","Zwitterionic and Cationic Bis(phosphine) Platinum(II) Complexes: Structural, Electronic, and Mechanistic Comparisons Relevant to Ligand Exchange and Benzene C-H Activation Processes","Journal of the American Chemical Society","2003","125","","8870","8888","10.1021/ja0296071","","","0.71073","MoKα","","0.1675","0.1267","","","0.2483","0.2521","","","","","","4.558","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113917","11.096","0.002","12.329","0.003","20.719","0.004","96.85","0.03","103.38","0.03","92.92","0.03","2728.7","1.1","96","2","96","2","","","","","","","","6","P -1","-P 1","2","[Ph2BP2]Pt(Me)(P(C6F5)3)C6H6","","","- C63 H43 B F15 P3 Pt -","- C63 H43 B F15 P3 Pt -","- C126 H86 B2 F30 P6 Pt2 -","2","1","","J. Christopher Thomas; Jonas C. Peters","Zwitterionic and Cationic Bis(phosphine) Platinum(II) Complexes: Structural, Electronic, and Mechanistic Comparisons Relevant to Ligand Exchange and Benzene C-H Activation Processes","Journal of the American Chemical Society","2003","125","","8870","8888","10.1021/ja0296071","","","0.71073","MoKα","","0.0399","0.0297","","","0.0621","0.0654","","","","","","1.21","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113918","8.03183","0.00008","3.83589","0.000033","7.52198","0.00009","90","","90","","90","","231.746","0.004","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","","","- Ba Fe2 Ho O5 -","- Ba Fe2 Ho O5 -","- Ba2 Fe4 Ho2 O10 -","2","0.25","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113919","8.0314","0.0019","7.672","0.004","7.5218","0.0017","90","","90","","90","","463.5","0.3","","","","","","","","","","","","1","P m m a","-P 2a 2a","51","","","","- Fe -","- Fe2 -","- Fe8 -","4","0.5","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113920","8.02258","0.00008","3.84893","0.00004","7.54252","0.00008","90","","90","","90","","232.901","0.004","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","","","- Ba Fe2 Ho O5 -","- Ba Fe2 Ho O5 -","- Ba2 Fe4 Ho2 O10 -","2","0.25","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113921","8.0228","0.0019","7.696","0.004","7.5424","0.0017","90","","90","","90","","465.7","0.3","","","","","","","","","","","","1","P m m a","-P 2a 2a","51","","","","- Fe -","- Fe2 -","- Fe8 -","4","0.5","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113922","3.932787","0.000032","3.918529","0.000032","7.56186","0.00006","90","","90","","90","","116.534","0.0016","","","","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Fe2 Ho O5 -","- Ba Fe2 Ho O5 -","- Ba Fe2 Ho O5 -","1","0.125","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113923","7.866","0.002","7.816","0.004","15.123","0.0027","90","","90","","90","","929.8","0.6","","","","","","","","","","","","1","P 21 m a","P -2a 2a","26","","","","- Fe -","- Fe2 -","- Fe16 -","8","2","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113924","3.93355","0.00007","3.92896","0.00007","7.57777","0.00006","90","","90","","90","","117.113","0.003","","","","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Fe2 Ho O5 -","- Ba Fe2 Ho O5 -","- Ba Fe2 Ho O5 -","1","0.125","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113925","7.868","0.002","7.857","0.004","15.154","0.0027","90","","90","","90","","936.8","0.6","","","","","","","","","","","","1","P 21 m a","P -2a 2a","26","","","","- Fe -","- Fe2 -","- Fe16 -","8","2","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113926","7.99949","0.0001","3.91587","0.00005","7.63343","0.0001","90","","90","","90","","239.117","0.005","","","","","","","","","","","","4","P 21 m a","P -2a 2a","26","","","","- Ba Fe2 Nd O5 -","- Ba Fe2 Nd O5 -","- Ba2 Fe4 Nd2 O10 -","2","0.5","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113927","7.998","0.0006","7.833","0.0011","15.2643","0.0011","90","","90","","90","","956.28","0.17","","","","","","","","","","","","2","P 21 m a","P -2a 2a","26","","","","- Fe Nd -","- Fe2 Nd -","- Fe16 Nd8 -","8","2","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113928","2.86048","0.00017","2.86048","","2.86048","","90","","90","","90","","23.4054","0.0014","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113929","8.00318","0.00013","3.92013","0.00007","7.64047","0.00013","90","","90","","90","","239.708","0.007","","","","","","","","","","","","4","P 21 m a","P -2a 2a","26","","","","- Ba Fe2 Nd O5 -","- Ba Fe2 Nd O5 -","- Ba2 Fe4 Nd2 O10 -","2","0.5","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113930","8.0039","0.0014","7.841","0.0029","15.2824","0.0026","90","","90","","90","","959.1","0.4","","","","","","","","","","","","1","P 21 m a","P -2a 2a","26","","","","- Fe -","- Fe2 -","- Fe16 -","8","2","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113931","2.86284","0.00023","2.86284","","2.86284","","90","","90","","90","","23.4634","0.0019","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113932","3.96584","0.00006","3.95339","0.00005","7.64046","0.00011","90","","90","","90","","119.791","0.003","","","","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Fe2 Nd O5 -","- Ba Fe2 Nd O5 -","- Ba Fe2 Nd O5 -","1","0.125","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113933","7.9339","0.0013","7.9035","0.0033","15.2801","0.002","90","","90","","90","","958.1","0.4","","","","","","","","","","","","1","P 21 m a","P -2a 2a","26","","","","- Fe -","- Fe2 -","- Fe16 -","8","2","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113934","3.969451","0.000032","3.958035","0.000032","7.64849","0.00007","90","","90","","90","","120.167","0.0018","","","","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Fe2 Nd O5 -","- Ba Fe2 Nd O5 -","- Ba Fe2 Nd O5 -","1","0.125","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113935","7.9398","0.0017","7.9197","0.0034","15.2933","0.0024","90","","90","","90","","961.7","0.5","","","","","","","","","","","","1","P 21 m a","P -2a 2a","26","","","","- Fe -","- Fe2 -","- Fe16 -","8","2","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113936","2.86661","0.00022","2.86661","","2.86661","","90","","90","","90","","23.5562","0.0018","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113937","3.97079","0.00004","3.96456","0.00004","7.6583","0.00006","90","","90","","90","","120.56","0.002","","","","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Fe2 Nd O5 -","- Ba Fe2 Nd O5 -","- Ba Fe2 Nd O5 -","1","0.125","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113938","7.9423","0.0025","7.937","0.005","15.3127","0.0032","90","","90","","90","","965.3","0.7","","","","","","","","","","","","1","P 21 m a","P -2a 2a","26","","","","- Fe -","- Fe2 -","- Fe16 -","8","2","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113939","3.97431","0.00004","3.96949","0.00004","7.66813","0.00005","90","","90","","90","","120.972","0.0019","","","","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Fe2 Nd O5 -","- Ba Fe2 Nd O5 -","- Ba Fe2 Nd O5 -","1","0.125","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113940","7.948","0.004","7.94","0.009","15.336","0.007","90","","90","","90","","967.8","1.3","","","","","","","","","","","","1","P 21 m a","P -2a 2a","26","","","","- Fe -","- Fe2 -","- Fe16 -","8","2","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113941","2.87142","0.0002","2.87142","","2.87142","","90","","90","","90","","23.675","0.0016","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113942","9.218","0.0013","16.162","0.002","15.474","0.002","90","","92.584","0.002","90","","2303","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 Cl N2 Zr -","- C21 H39 Cl N2 Zr -","- C84 H156 Cl4 N8 Zr4 -","4","1","","Yonghui Zhang; Richard J. Keaton; Lawrence R. Sita","A Case for Asymmetric Hydrozirconation","Journal of the American Chemical Society","2003","125","","8746","8747","10.1021/ja0349453","","","0.71073","MoKα","","0.0223","0.0208","","","0.0534","0.0544","","","","","","1.085","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113943","9.2208","0.0017","16.508","0.003","15.73","0.003","90","","92.469","0.003","90","","2392.2","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H41 Cl N2 Zr -","- C22 H41 Cl N2 Zr -","- C88 H164 Cl4 N8 Zr4 -","4","1","","Yonghui Zhang; Richard J. Keaton; Lawrence R. Sita","A Case for Asymmetric Hydrozirconation","Journal of the American Chemical Society","2003","125","","8746","8747","10.1021/ja0349453","","","0.71073","MoKα","","0.0306","0.025","","","0.0654","0.0686","","","","","","1.053","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113944","10.1335","0.0003","16.8281","0.0005","16.715","0.0005","90","","98.441","0.001","90","","2819.49","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 Cl N2 Si Zr -","- C26 H43 Cl N2 Si Zr -","- C104 H172 Cl4 N8 Si4 Zr4 -","4","1","","Yonghui Zhang; Richard J. Keaton; Lawrence R. Sita","A Case for Asymmetric Hydrozirconation","Journal of the American Chemical Society","2003","125","","8746","8747","10.1021/ja0349453","","","0.71073","MoKα","","0.0267","0.023","","","0.0599","0.0624","","","","","","1.078","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113945","10.2651","0.0004","16.8449","0.0006","17.0772","0.0007","73.56","0.001","87.602","0.001","88.904","0.001","2829.61","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H48 Cl N3 Zr -","- C26 H48 Cl N3 Zr -","- C104 H192 Cl4 N12 Zr4 -","4","2","","Yonghui Zhang; Richard J. Keaton; Lawrence R. Sita","A Case for Asymmetric Hydrozirconation","Journal of the American Chemical Society","2003","125","","8746","8747","10.1021/ja0349453","","","0.71073","MoKα","","0.043","0.0302","","","0.0774","0.0847","","","","","","1.085","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113946","9.1732","0.0013","10.4607","0.0014","10.4726","0.0014","62.126","0.002","85.744","0.003","71.673","0.002","840.1","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H32 F -","- C48 H32 F -","- C48 H32 F -","1","0.5","","Zaira Dominguez; Tinh-A. V. Khuong; Hung Dang; Carlos N. Sanrame; Jose E. Nuñez; Miguel A. Garcia-Garibay","Molecular Compasses and Gyroscopes with Polar Rotors: Synthesis and Characterization of Crystalline Forms","Journal of the American Chemical Society","2003","125","","8827","8837","10.1021/ja035274b","","","0.71073","MoKα","","0.0489","0.0407","","","0.1095","0.115","","","","","","1.078","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113947","8.464","0.002","9.475","0.003","14.53","0.004","78.232","0.005","76.32","0.005","74.486","0.005","1078.6","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H44 F -","- C60 H44 F -","- C60 H44 F -","1","0.5","","Zaira Dominguez; Tinh-A. V. Khuong; Hung Dang; Carlos N. Sanrame; Jose E. Nuñez; Miguel A. Garcia-Garibay","Molecular Compasses and Gyroscopes with Polar Rotors: Synthesis and Characterization of Crystalline Forms","Journal of the American Chemical Society","2003","125","","8827","8837","10.1021/ja035274b","","","0.71073","MoKα","","0.065","0.0414","","","0.0929","0.1013","","","","","","0.927","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113948","15.812","0.003","20.338","0.004","10.741","0.002","90","","94.226","0.004","90","","3444.7","1.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C49 H33 N -","- C49 H33 N -","- C196 H132 N4 -","4","1","","Zaira Dominguez; Tinh-A. V. Khuong; Hung Dang; Carlos N. Sanrame; Jose E. Nuñez; Miguel A. Garcia-Garibay","Molecular Compasses and Gyroscopes with Polar Rotors: Synthesis and Characterization of Crystalline Forms","Journal of the American Chemical Society","2003","125","","8827","8837","10.1021/ja035274b","","","0.71073","MoKα","","0.0638","0.0557","","","0.1472","0.1521","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113949","8.4502","0.0011","9.4905","0.0012","14.6741","0.0019","79.925","0.002","74.716","0.002","76.347","0.002","1095.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H44 N O2 -","- C60 H44 N O2 -","- C60 H44 N O2 -","1","0.5","","Zaira Dominguez; Tinh-A. V. Khuong; Hung Dang; Carlos N. Sanrame; Jose E. Nuñez; Miguel A. Garcia-Garibay","Molecular Compasses and Gyroscopes with Polar Rotors: Synthesis and Characterization of Crystalline Forms","Journal of the American Chemical Society","2003","125","","8827","8837","10.1021/ja035274b","","","0.71073","MoKα","","0.0603","0.0534","","","0.1376","0.1426","","","","","","1.037","","","","has coordinates,has disorder","178910","2020-10-21","18:00:00",""
"4113950","9.2966","0.0016","10.5467","0.0018","10.5979","0.0018","62.706","0.003","71.071","0.003","84.875","0.003","871.3","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H35 N -","- C48 H34 N -","- C48 H34 N -","1","0.5","","Zaira Dominguez; Tinh-A. V. Khuong; Hung Dang; Carlos N. Sanrame; Jose E. Nuñez; Miguel A. Garcia-Garibay","Molecular Compasses and Gyroscopes with Polar Rotors: Synthesis and Characterization of Crystalline Forms","Journal of the American Chemical Society","2003","125","","8827","8837","10.1021/ja035274b","","","0.71073","MoKα","","0.0674","0.0389","","","0.0966","0.1068","","","","","","1.008","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113951","16.3301","0.0008","6.0079","0.0003","19.615","0.001","90","","107.257","0.001","90","","1837.79","0.16","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C23 H19 Cl O2 -","- C23 H19 Cl O2 -","- C92 H76 Cl4 O8 -","4","1","","Satoshi Matsumura; Yasunari Maeda; Takahiro Nishimura; Sakae Uemura","Palladium-Catalyzed Asymmetric Arylation, Vinylation, and Allenylation of tert-Cyclobutanols via Enantioselective C-C Bond Cleavage","Journal of the American Chemical Society","2003","125","","8862","8869","10.1021/ja035293l","","","0.7107","MoKα","","","0.036","","","","0.035","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113952","20.812","0.0006","5.8624","0.0002","33.049","0.001","90","","101.782","0.0007","90","","3947.3","0.2","296.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Cl O2 -","- C24 H21 Cl O2 -","- C192 H168 Cl8 O16 -","8","1","","Satoshi Matsumura; Yasunari Maeda; Takahiro Nishimura; Sakae Uemura","Palladium-Catalyzed Asymmetric Arylation, Vinylation, and Allenylation of tert-Cyclobutanols via Enantioselective C-C Bond Cleavage","Journal of the American Chemical Society","2003","125","","8862","8869","10.1021/ja035293l","","","0.7107","MoKα","","","0.04","","","","0.043","","","","","","0.854","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113953","13.065","0.002","14.977","0.003","21.809","0.004","90","","90","","90","","4267.5","1.3","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H30 Cl2 N2 Ni O2 -","- C15.1111 H26.6667 Cl1.77778 N1.77778 Ni0.888889 O1.77778 -","- C136 H240 Cl16 N16 Ni8 O16 -","9","2.25","","David A. Evans; C. Wade Downey; Jed L. Hubbs","Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates","Journal of the American Chemical Society","2003","125","","8706","8707","10.1021/ja035509j","","","0.71073","MoKα","","0.1003","0.0714","","","0.1337","0.1433","","","","","","1.096","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113954","9.5084","0.0013","11.7595","0.0016","24.704","0.004","90","","95.202","0.003","90","","2750.9","0.7","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H60 F12 N4 Ni2 O16 S4 -","- C38 H60 F12 N4 Ni2 O16 S4 -","- C76 H120 F24 N8 Ni4 O32 S8 -","2","1","","David A. Evans; C. Wade Downey; Jed L. Hubbs","Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates","Journal of the American Chemical Society","2003","125","","8706","8707","10.1021/ja035509j","","","0.71073","MoKα","","0.0404","0.0347","","","0.0776","0.0829","","","","","","1.003","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113955","9.5295","0.0009","12.2497","0.0012","25.703","0.003","90","","90","","90","","3000.4","0.5","213","2","213","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H34 F6 N2 Ni O10 S2 -","- C19 H30 F6 N2 Ni O10 S2 -","- C76 H120 F24 N8 Ni4 O40 S8 -","4","1","","David A. Evans; C. Wade Downey; Jed L. Hubbs","Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates","Journal of the American Chemical Society","2003","125","","8706","8707","10.1021/ja035509j","","","0.71073","MoKα","","0.0801","0.0677","","","0.1499","0.1556","","","","","","1.169","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113956","8.0746","0.0008","12.0053","0.0008","15.3059","0.0012","90","","90","","90","","1483.7","0.2","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O2 S2 -","- C14 H17 N O2 S2 -","- C56 H68 N4 O8 S8 -","4","1","","David A. Evans; C. Wade Downey; Jed L. Hubbs","Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates","Journal of the American Chemical Society","2003","125","","8706","8707","10.1021/ja035509j","","","0.71073","MoKα","","0.0466","0.0403","","","0.108","0.1135","","","","","","0.87","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113957","9.046","0.0013","12.5033","0.0018","14.244","0.002","90","","90","","90","","1611.1","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 S2 -","- C17 H17 N O2 S2 -","- C68 H68 N4 O8 S8 -","4","1","","David A. Evans; C. Wade Downey; Jed L. Hubbs","Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates","Journal of the American Chemical Society","2003","125","","8706","8707","10.1021/ja035509j","","","0.71073","MoKα","","0.0443","0.0405","","","0.1086","0.1112","","","","","","1.019","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113958","7.685","0.001","8.4184","0.0011","11.5718","0.0015","90","","91.589","0.002","90","","748.35","0.17","213","2","213","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H14 Cl N O2 S2 -","- C13 H14 Cl N O2 S2 -","- C26 H28 Cl2 N2 O4 S4 -","2","1","","David A. Evans; C. Wade Downey; Jed L. Hubbs","Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates","Journal of the American Chemical Society","2003","125","","8706","8707","10.1021/ja035509j","","","0.71073","MoKα","","0.041","0.0366","","","0.0941","0.0973","","","","","","1.055","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113959","5.286","0.0008","7.6575","0.0011","29.617","0.004","90","","90","","90","","1198.8","0.3","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O2 S2 -","- C10 H15 N O2 S2 -","- C40 H60 N4 O8 S8 -","4","1","","David A. Evans; C. Wade Downey; Jed L. Hubbs","Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates","Journal of the American Chemical Society","2003","125","","8706","8707","10.1021/ja035509j","","","0.71073","MoKα","","0.0386","0.0375","","","0.104","0.1054","","","","","","1.106","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113960","10.963","0.0017","21.074","0.004","13.47","0.003","90","","103.575","0.004","90","","3025.1","1","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 -","- C43 H34 -","- C172 H136 -","4","1","","Rajendra Rathore; Sameh H. Abdelwahed; Ilia A. Guzei","Synthesis, Structure, and Evaluation of the Effect of Multiple Stacking on the Electron-Donor Properties of π-Stacked Polyfluorenes","Journal of the American Chemical Society","2003","125","","8712","8713","10.1021/ja035518s","","","0.71073","MoKα","","0.1189","0.0588","","","0.1338","0.1498","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113961","15.5455","0.0015","16.0998","0.0016","17.0201","0.0017","90","","107.628","0.002","90","","4059.8","0.7","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C58 H48 -","- C58 H48 -","- C232 H192 -","4","1","","Rajendra Rathore; Sameh H. Abdelwahed; Ilia A. Guzei","Synthesis, Structure, and Evaluation of the Effect of Multiple Stacking on the Electron-Donor Properties of π-Stacked Polyfluorenes","Journal of the American Chemical Society","2003","125","","8712","8713","10.1021/ja035518s","","","0.71073","MoKα","","0.062","0.0463","","","0.1132","0.1238","","","","","","0.973","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113962","15.495","0.007","12.092","0.006","20.25","0.01","90","","102.751","0.008","90","","3701","3","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H52 B2 Cu2 F8 N4 Ni2 S4 -","- C24 H52 B2 Cu2 F8 N4 Ni2 S4 -","- C96 H208 B8 Cu8 F32 N16 Ni8 S16 -","4","1","","Rachel C. Linck; Cameron W. Spahn; Thomas B. Rauchfuss; Scott R. Wilson","Structural Analogues of the Bimetallic Reaction Center in Acetyl CoA Synthase: A Ni-Ni Model with Bound CO","Journal of the American Chemical Society","2003","125","","8700","8701","10.1021/ja035606c","","","0.71073","MoKα","","0.0511","0.0377","","","0.093","0.0982","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4113963","17.858","0.004","10.954","0.002","24.49","0.005","90","","91.969","0.004","90","","4787.8","1.7","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H70 B Cu N3 Ni P S2 -","- C47 H70 B Cu N3 Ni P S2 -","- C188 H280 B4 Cu4 N12 Ni4 P4 S8 -","4","1","","Rachel C. Linck; Cameron W. Spahn; Thomas B. Rauchfuss; Scott R. Wilson","Structural Analogues of the Bimetallic Reaction Center in Acetyl CoA Synthase: A Ni-Ni Model with Bound CO","Journal of the American Chemical Society","2003","125","","8700","8701","10.1021/ja035606c","","","0.71073","MoKα","","0.1718","0.065","","","0.1046","0.1292","","","","","","0.932","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4113964","7.9606","0.0018","9.922","0.002","20.38","0.005","97.257","0.004","95.754","0.004","96.484","0.004","1575.9","0.6","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H53 Cu N3 Ni O2 P S2 -","- C25 H53 Cu N3 Ni O2 P S2 -","- C50 H106 Cu2 N6 Ni2 O4 P2 S4 -","2","1","","Rachel C. Linck; Cameron W. Spahn; Thomas B. Rauchfuss; Scott R. Wilson","Structural Analogues of the Bimetallic Reaction Center in Acetyl CoA Synthase: A Ni-Ni Model with Bound CO","Journal of the American Chemical Society","2003","125","","8700","8701","10.1021/ja035606c","","","0.71073","MoKα","","0.0325","0.0264","","","0.0652","0.0679","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113965","16.743","0.006","9.407","0.004","19.014","0.007","90","","108.521","0.006","90","","2839.6","1.9","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H52 N4 Ni O2 S2 -","- C24 H52 N4 Ni O2 S2 -","- C96 H208 N16 Ni4 O8 S8 -","4","0.5","","Rachel C. Linck; Cameron W. Spahn; Thomas B. Rauchfuss; Scott R. Wilson","Structural Analogues of the Bimetallic Reaction Center in Acetyl CoA Synthase: A Ni-Ni Model with Bound CO","Journal of the American Chemical Society","2003","125","","8700","8701","10.1021/ja035606c","","","0.71073","MoKα","","0.029","0.0254","","","0.0638","0.0657","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113966","20.104","0.006","24.077","0.008","13.097","0.004","90","","91.362","0.006","90","","6338","3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H52 N4 Ni2 O4 S2 -","- C26 H52 N4 Ni2 O4 S2 -","- C208 H416 N32 Ni16 O32 S16 -","8","2","","Rachel C. Linck; Cameron W. Spahn; Thomas B. Rauchfuss; Scott R. Wilson","Structural Analogues of the Bimetallic Reaction Center in Acetyl CoA Synthase: A Ni-Ni Model with Bound CO","Journal of the American Chemical Society","2003","125","","8700","8701","10.1021/ja035606c","","","0.71073","MoKα","","0.1024","0.0621","","","0.1446","0.159","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113967","30.021","0.002","11.8606","0.0009","56.867","0.004","90","","94.857","0.001","90","","20176","2","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Mo2(DAniF)3]2(mu-cyanurateH),C6H5Cl,Et2O","","","- C103 H106 Cl Mo4 N15 O16 -","- C103 H106 Cl Mo4 N15 O16 -","- C824 H848 Cl8 Mo32 N120 O128 -","8","1","","F. A. Cotton; James P. Donahue; Carlos A. Murillo; Lisa M. Pérez; Rongmin Yu","Cyclic Polyamidato Dianions as Bridges between Mo24+ Units: Synthesis, Crystal Structures, Electrochemistry, Absorption Spectra, and Electronic Structures","Journal of the American Chemical Society","2003","125","","8900","8910","10.1021/ja0358044","","","0.71073","MoKα","","0.0992","0.0727","","","0.1539","0.1699","","","","","","1.088","","","","has coordinates,has disorder","178910","2020-10-21","18:00:00",""
"4113968","11.014","0.0008","15.3541","0.0011","17.8103","0.0012","64.94","0.001","87.207","0.001","86.798","0.001","2723.1","0.3","213","2","213","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C56 H64 Cl2 Mo2 N8 O8 -","- C56.016 H48.048 Cl2 Mo2 N8 O8 -","- C112.032 H96.096 Cl4 Mo4 N16 O16 -","2","1","","F. A. Cotton; James P. Donahue; Carlos A. Murillo; Lisa M. Pérez; Rongmin Yu","Cyclic Polyamidato Dianions as Bridges between Mo24+ Units: Synthesis, Crystal Structures, Electrochemistry, Absorption Spectra, and Electronic Structures","Journal of the American Chemical Society","2003","125","","8900","8910","10.1021/ja0358044","","","0.71073","MoKα","","0.0598","0.0468","","","0.1217","0.1328","","","","","","1.033","","","","has coordinates,has disorder","178910","2020-10-21","18:00:00",""
"4113969","12.4674","0.0013","14.6201","0.0015","15.2751","0.0016","71.936","0.002","83.479","0.002","71.188","0.002","2505.3","0.5","213","2","213","2","","","","","","","","6","P -1","-P 1","2","[Mo2(DAniF)3]2(mu-2,3-dioxypyrazinate),4(CH2Cl2)","","","- C98 H100 Cl8 Mo4 N14 O14 -","- C98 H100 Cl8 Mo4 N14 O14 -","- C98 H100 Cl8 Mo4 N14 O14 -","1","0.5","","F. A. Cotton; James P. Donahue; Carlos A. Murillo; Lisa M. Pérez; Rongmin Yu","Cyclic Polyamidato Dianions as Bridges between Mo24+ Units: Synthesis, Crystal Structures, Electrochemistry, Absorption Spectra, and Electronic Structures","Journal of the American Chemical Society","2003","125","","8900","8910","10.1021/ja0358044","","","0.71073","MoKα","","0.0689","0.054","","","0.1436","0.1551","","","","","","1.041","","","","has coordinates,has disorder","178910","2020-10-21","18:00:00",""
"4113970","12.5325","0.0008","14.328","0.0009","15.3801","0.001","72.668","0.001","84.678","0.001","72.656","0.001","2516.4","0.3","213","2","213","2","","","","","","","","6","P -1","-P 1","2","[Mo2(DAniF)3]2(mu-2,3-dioxyquinoxalinate),3(CH2Cl2)","","","- C101 H100 Cl6 Mo4 N14 O14 -","- C101 H100 Cl6 Mo4 N14 O14 -","- C101 H100 Cl6 Mo4 N14 O14 -","1","0.5","","F. A. Cotton; James P. Donahue; Carlos A. Murillo; Lisa M. Pérez; Rongmin Yu","Cyclic Polyamidato Dianions as Bridges between Mo24+ Units: Synthesis, Crystal Structures, Electrochemistry, Absorption Spectra, and Electronic Structures","Journal of the American Chemical Society","2003","125","","8900","8910","10.1021/ja0358044","","","0.71073","MoKα","","0.0591","0.0539","","","0.1385","0.1435","","","","","","1.079","","","","has coordinates,has disorder","178910","2020-10-21","18:00:00",""
"4113971","16.581","0.003","17.679","0.003","18.365","0.003","90","","110.131","0.003","90","","5054.5","1.5","213","2","213","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","[Mo2(DAniF)3]2(mu-2,3-dicyano-5,6-dioxypyrazinate),2(CH2Cl2),Et2O","","","- C102 H104 Cl4 Mo4 N16 O15 -","- C102.262 H93.582 Cl4 Mo4 N16 O14.998 -","- C204.524 H187.164 Cl8 Mo8 N32 O29.996 -","2","0.5","","F. A. Cotton; James P. Donahue; Carlos A. Murillo; Lisa M. Pérez; Rongmin Yu","Cyclic Polyamidato Dianions as Bridges between Mo24+ Units: Synthesis, Crystal Structures, Electrochemistry, Absorption Spectra, and Electronic Structures","Journal of the American Chemical Society","2003","125","","8900","8910","10.1021/ja0358044","","","0.71073","MoKα","","0.0833","0.0671","","","0.1547","0.1668","","","","","","1.142","","","","has coordinates,has disorder","178910","2020-10-21","18:00:00",""
"4113972","10.613","0.002","24.806","0.004","33.84","0.002","90","","90.717","0.01","90","","8908","2","213","2","213","2","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C94 H92 Mo4 N14 O14 -","- C94 H92 Mo4 N14 O14 -","- C376 H368 Mo16 N56 O56 -","4","1","","F. A. Cotton; James P. Donahue; Carlos A. Murillo; Lisa M. Pérez; Rongmin Yu","Cyclic Polyamidato Dianions as Bridges between Mo24+ Units: Synthesis, Crystal Structures, Electrochemistry, Absorption Spectra, and Electronic Structures","Journal of the American Chemical Society","2003","125","","8900","8910","10.1021/ja0358044","","","0.71073","MoKα","","0.072","0.0524","","0.143","0.1176","","","","1.102","1.076","1.076","","","","","has coordinates,has disorder","178910","2020-10-21","18:00:00",""
"4113973","9.4928","0.0002","15.1888","0.0005","13.5344","0.0004","90","","91","","90","","1951.15","0.1","183.2","","183.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C42 H53 Br Fe O P2 Pd -","- C42 H53 Br Fe O P2 Pd -","- C84 H106 Br2 Fe2 O2 P4 Pd2 -","2","1","","Amy H. Roy; John F. Hartwig","Oxidative Addition of Aryl Tosylates to Palladium(0) and Coupling of Unactivated Aryl Tosylates at Room Temperature","Journal of the American Chemical Society","2003","125","","8704","8705","10.1021/ja035835z","","","0.7107","MoKalpha","","","0.0421","","","0.0414","","","","","1.366","1.366","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113974","22.412","0.005","24.106","0.005","16.388","0.003","90","","90","","90","","8854","3","183","2","183","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C44.5 H71 Br Fe O P2 Pd -","- C38 H57 Br Fe P2 Pd -","- C304 H456 Br8 Fe8 P16 Pd8 -","8","1","","Amy H. Roy; John F. Hartwig","Oxidative Addition of Aryl Tosylates to Palladium(0) and Coupling of Unactivated Aryl Tosylates at Room Temperature","Journal of the American Chemical Society","2003","125","","8704","8705","10.1021/ja035835z","","","0.71073","MoKα","","0.0546","0.041","","","0.1095","0.1184","","","","","","0.843","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113975","18.029","0.0006","16.2315","0.0006","9.5547","0.0004","90","","90","","90","","2796.07","0.18","273.2","","273.2","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H43 P3 Ru Si2 -","- C21 P3 Ru Si2 -","- C84 P12 Ru4 Si8 -","4","1","","Vladimir K. Dioumaev; Bok R. Yoo; Leo J. Procopio; Patrick J. Carroll; Donald H. Berry","Structure and Reactivity of Bis(silyl) Dihydride Complexes (PMe3)3Ru(SiR3)2(H)2: Model Compounds and Real Intermediates in a Dehydrogenative C-Si Bond Forming Reaction","Journal of the American Chemical Society","2003","125","","8936","8948","10.1021/ja035916v","","","0.7107","MoKalpha","","","0.042","","","0.05","","","","","1.58","1.58","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113976","14.1488","0.0001","18.5561","0.0003","9.9845","0.0001","90","","93.059","0.001","90","","2617.66","0.05","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H47 P3 Ru Si2 -","- C15 H47 P3 Ru Si2 -","- C60 H188 P12 Ru4 Si8 -","4","1","","Vladimir K. Dioumaev; Bok R. Yoo; Leo J. Procopio; Patrick J. Carroll; Donald H. Berry","Structure and Reactivity of Bis(silyl) Dihydride Complexes (PMe3)3Ru(SiR3)2(H)2: Model Compounds and Real Intermediates in a Dehydrogenative C-Si Bond Forming Reaction","Journal of the American Chemical Society","2003","125","","8936","8948","10.1021/ja035916v","","","0.71069","MoKα","","0.0456","0.0426","","0.1127","0.1103","","","","1.127","1.134","1.134","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113977","35.9187","0.0005","9.321","0.0001","16.1099","0.0001","90","","114.123","0.001","90","","4922.55","0.1","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H45 P3 Ru Si2 -","- C15 H45 P3 Ru Si2 -","- C120 H360 P24 Ru8 Si16 -","8","1","","Vladimir K. Dioumaev; Bok R. Yoo; Leo J. Procopio; Patrick J. Carroll; Donald H. Berry","Structure and Reactivity of Bis(silyl) Dihydride Complexes (PMe3)3Ru(SiR3)2(H)2: Model Compounds and Real Intermediates in a Dehydrogenative C-Si Bond Forming Reaction","Journal of the American Chemical Society","2003","125","","8936","8948","10.1021/ja035916v","","","0.71069","MoKα","","0.0507","0.0445","","0.1107","0.1065","","","","1.103","1.113","1.113","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113978","10.7105","0.0012","9.501","0.001","13.889","0.002","90","","103.16","0.02","90","","1376.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 N4 Ni -","- C28 H44 N4 Ni -","- C56 H88 N8 Ni2 -","2","0.5","","Diran Herebian; Eberhard Bothe; Frank Neese; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structures of Bis-(o-diiminobenzosemiquinonato)metal(II) Complexes (Ni, Pd, Pt), Their Monocations and -Anions, and of Dimeric Dications Containing Weak Metal-Metal Bonds","Journal of the American Chemical Society","2003","125","","9116","9128","10.1021/ja030123u","","","0.71073","MoKα","","0.1236","0.1058","","","0.2363","0.2435","","","","","","1.21","","","","has coordinates,has disorder","178910","2020-10-21","18:00:00",""
"4113979","9.6222","0.0006","10.288","0.0006","11.5222","0.0008","74.3","0.01","75.88","0.01","62.74","0.01","966.46","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N4 Ni -","- C24 H20 N4 Ni -","- C48 H40 N8 Ni2 -","2","1","","Diran Herebian; Eberhard Bothe; Frank Neese; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structures of Bis-(o-diiminobenzosemiquinonato)metal(II) Complexes (Ni, Pd, Pt), Their Monocations and -Anions, and of Dimeric Dications Containing Weak Metal-Metal Bonds","Journal of the American Chemical Society","2003","125","","9116","9128","10.1021/ja030123u","","","0.71073","MoKα","","0.0623","0.0401","","0.0987","0.0858","","","","1.024","1.079","1.079","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113980","9.5312","0.0006","10.2585","0.0006","11.7914","0.0006","73.74","0.01","75.84","0.01","63.36","0.01","979.73","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N4 Pd -","- C24 H20 N4 Pd -","- C48 H40 N8 Pd2 -","2","1","","Diran Herebian; Eberhard Bothe; Frank Neese; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structures of Bis-(o-diiminobenzosemiquinonato)metal(II) Complexes (Ni, Pd, Pt), Their Monocations and -Anions, and of Dimeric Dications Containing Weak Metal-Metal Bonds","Journal of the American Chemical Society","2003","125","","9116","9128","10.1021/ja030123u","","","0.71073","MoKα","","0.0536","0.0331","","0.0807","0.0714","","","","1.009","1.051","1.051","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113981","9.5122","0.0009","10.2317","0.0009","11.793","0.001","73.7","0.01","75.82","0.01","63.35","0.01","975.07","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N4 Pt -","- C24 H20 N4 Pt -","- C48 H40 N8 Pt2 -","2","1","","Diran Herebian; Eberhard Bothe; Frank Neese; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structures of Bis-(o-diiminobenzosemiquinonato)metal(II) Complexes (Ni, Pd, Pt), Their Monocations and -Anions, and of Dimeric Dications Containing Weak Metal-Metal Bonds","Journal of the American Chemical Society","2003","125","","9116","9128","10.1021/ja030123u","","","0.71073","MoKα","","0.0787","0.0336","","0.0785","0.0677","","","","0.977","1.151","1.151","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113982","10.4103","0.0009","10.4924","0.0009","16.2202","0.0012","104.21","0.02","101.48","0.02","102.03","0.02","1620.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H105 Cl2 N9 Ni2 O5 -","- C60 H101 Cl2 N9 Ni2 O5 -","- C60 H101 Cl2 N9 Ni2 O5 -","1","0.5","","Diran Herebian; Eberhard Bothe; Frank Neese; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structures of Bis-(o-diiminobenzosemiquinonato)metal(II) Complexes (Ni, Pd, Pt), Their Monocations and -Anions, and of Dimeric Dications Containing Weak Metal-Metal Bonds","Journal of the American Chemical Society","2003","125","","9116","9128","10.1021/ja030123u","","","0.71073","MoKα","","0.0946","0.0634","","0.1665","0.1467","","","","1.04","1.086","1.086","","","","","has coordinates,has disorder","178910","2020-10-21","18:00:00",""
"4113983","10.4524","0.0004","15.2095","0.0008","14.9194","0.0008","90","","98.982","0.006","90","","2342.7","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 F3 N4 O3 Pt S -","- C25 H20 F3 N4 O3 Pt S -","- C100 H80 F12 N16 O12 Pt4 S4 -","4","1","","Diran Herebian; Eberhard Bothe; Frank Neese; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structures of Bis-(o-diiminobenzosemiquinonato)metal(II) Complexes (Ni, Pd, Pt), Their Monocations and -Anions, and of Dimeric Dications Containing Weak Metal-Metal Bonds","Journal of the American Chemical Society","2003","125","","9116","9128","10.1021/ja030123u","","","0.71073","MoKα","","0.0411","0.0301","","0.068","0.0636","","","","1.017","1.046","1.046","","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4113984","15.3076","0.0009","14.6049","0.0009","27.4736","0.0018","90","","90","","90","","6142.2","0.7","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H26 O2 -","- C17 O2 -","- C272 O32 -","16","4","","Huan Wang; Jie Huang; William D. Wulff; Arnold L. Rheingold","The First Examples of a Meta-Benzannulation from the Reaction of Fischer Carbene Complexes with Alkynes","Journal of the American Chemical Society","2003","125","","8980","8981","10.1021/ja035428n","","","0.71073","MoKα","","0.2128","0.1449","","","0.351","0.3742","","","","","","2.055","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113985","9.5433","0.0003","12.2238","0.0004","16.8938","0.0005","90","","91.736","0.002","90","","1969.85","0.11","154.2","","154.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H35 Fe N P4 -","- C12 H35 Fe N P4 -","- C48 H140 Fe4 N4 P16 -","4","1","","Daniel J. Fox; Robert G. Bergman","Synthesis of a First-Row Transition Metal Parent Amido Complex and Carbon Monoxide Insertion into the Amide N-H Bond","Journal of the American Chemical Society","2003","125","","8984","8985","10.1021/ja035707a","","","0.7107","MoKα","","0.0822","0.0469","","","0.0516","0.0553","","","","","","1.745","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113986","29.11","0.003","14.188","0.002","11.25","0.001","90","","98.222","0.002","90","","4598.6","0.9","158.2","","158.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H37 Fe N O P4 -","- C16.5 H37 Fe N O P4 -","- C132 H296 Fe8 N8 O8 P32 -","8","1","","Daniel J. Fox; Robert G. Bergman","Synthesis of a First-Row Transition Metal Parent Amido Complex and Carbon Monoxide Insertion into the Amide N-H Bond","Journal of the American Chemical Society","2003","125","","8984","8985","10.1021/ja035707a","","","0.7107","MoKα","","0.08","0.0371","","","0.0419","0.0475","","","","","","1.31","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113987","10.2704","0.0019","11.857","0.002","12.554","0.002","86.381","0.003","82.483","0.003","74.544","0.003","1460.2","0.4","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H49 Ge I Si4 -","- C20 H49 Ge I Si4 -","- C40 H98 Ge2 I2 Si8 -","2","1","","Karla A. Miller; Jeffrey M. Bartolin; Rory M. O'Neill; Ryan D. Sweeder; Thomas M. Owens; Jeff W. Kampf; Mark M. Banaszak Holl; Norman J. Wells","C-H Activation of Ethers and Alkanes by Germylene-Aryl Halide Complexes","Journal of the American Chemical Society","2003","125","","8986","8987","10.1021/ja0357285","","","0.71073","MoKα","","0.0188","0.0178","","","0.0484","0.049","","","","","","1.047","","","","has coordinates,has disorder","178910","2020-10-21","18:00:00",""
"4113988","8.66","0.0003","13.241","0.0006","13.1402","0.0008","90","","109.381","0.002","90","","1421.36","0.12","153","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 O2 S3 -","- C12 H22 O2 S3 -","- C48 H88 O8 S12 -","4","1","","Sanae Tanaka; Yoshiaki Sugihara; Akira Sakamoto; Akihiko Ishii; Juzo Nakayama","The Thiosulfinyl Group Serves as a Stereogenic Center and Shows Diamagnetic Anisotropy Similar to That of the Sulfinyl Group","Journal of the American Chemical Society","2003","125","","9024","9025","10.1021/ja035892s","","","0.71073","MoKα","","0.0461","0.0337","","","0.0839","0.0883","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113989","8.82","0.0004","8.425","0.0004","19.442","0.0012","90","","90.198","0.002","90","","1444.7","0.13","153","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 O2 S3 -","- C12 H22 O2 S3 -","- C48 H88 O8 S12 -","4","1","","Sanae Tanaka; Yoshiaki Sugihara; Akira Sakamoto; Akihiko Ishii; Juzo Nakayama","The Thiosulfinyl Group Serves as a Stereogenic Center and Shows Diamagnetic Anisotropy Similar to That of the Sulfinyl Group","Journal of the American Chemical Society","2003","125","","9024","9025","10.1021/ja035892s","","","0.71073","MoKα","","0.0767","0.0606","","","0.1779","0.1894","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113990","8.622","0.0003","13.806","0.0005","24.82","0.0011","90","","90","","90","","2954.5","0.2","153","","","","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","","","- C12 H22 O3 S3 -","- C12 H22 O3 S3 -","- C96 H176 O24 S24 -","8","1","","Sanae Tanaka; Yoshiaki Sugihara; Akira Sakamoto; Akihiko Ishii; Juzo Nakayama","The Thiosulfinyl Group Serves as a Stereogenic Center and Shows Diamagnetic Anisotropy Similar to That of the Sulfinyl Group","Journal of the American Chemical Society","2003","125","","9024","9025","10.1021/ja035892s","","","0.71073","MoKα","","0.0591","0.046","","","0.1228","0.1284","","","","","","0.984","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113991","6.9308","0.0018","7.6574","0.0019","33.874","0.009","90","","92.563","0.006","90","","1796","0.8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C76 H100 N4 O24 -","4","1","","P. Andrew Evans; David K. Leahy","Regioselective and Enantiospecific Rhodium-Catalyzed Allylic Alkylation Reactions Using Copper(I) Enolates: Synthesis of (-)-Sugiresinol Dimethyl Ether","Journal of the American Chemical Society","2003","125","","8974","8975","10.1021/ja035983p","","","0.71073","MoKα","","0.0656","0.0555","","","0.1249","0.1296","","","","","","1.171","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113992","11.8091","0.0005","18.3006","0.0007","17.807","0.001","90","","103.656","0.001","90","","3739.5","0.3","273.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 F3 O4 P2 Pd S -","- C40 H35 F3 O4 P2 Pd S -","- C160 H140 F12 O16 P8 Pd4 S4 -","4","1","","Sensuke Ogoshi; Masaki Morita; Hideo Kurosawa","Synthesis, Structure, and Reactivity of a η3-1-Hydroxyallyl Complex: Protonation of an α,β-Unsaturated Carbonyl Compound Bound to Palladium(0) and Platinum(0)","Journal of the American Chemical Society","2003","125","","9020","9021","10.1021/ja0361042","","","0.7107","MoKα","","","0.07","","","","0.0931","","","","","","2.437","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113993","21.429","0.001","12.8667","0.0008","14.2909","0.0006","90","","90","","90","","3940.3","0.3","273.2","","","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C41 H37 F3 O4 P2 Pd S -","- C41 H37 F3 O4 P2 Pd S -","- C164 H148 F12 O16 P8 Pd4 S4 -","4","1","","Sensuke Ogoshi; Masaki Morita; Hideo Kurosawa","Synthesis, Structure, and Reactivity of a η3-1-Hydroxyallyl Complex: Protonation of an α,β-Unsaturated Carbonyl Compound Bound to Palladium(0) and Platinum(0)","Journal of the American Chemical Society","2003","125","","9020","9021","10.1021/ja0361042","","","0.7107","MoKα","","","0.0786","","","","0.1261","","","","","","3.345","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113994","16.7942","0.0001","16.7942","0.0001","16.7942","0.0001","90","","90","","90","","4736.72","0.05","293","2","293","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","MIL-74","","","- C24 H118 Al6 N16 O65 P12 Zn3 -","- C24 Al6 N16 O65 P12 Zn3 -","- C48 Al12 N32 O130 P24 Zn6 -","2","0.0416667","","Lionel Beitone; Clarisse Huguenard; Axel Gansmüller; Marc Henry; Francis Taulelle; Thierry Loiseau; Gérard Férey","Order-Disorder in the Super-Sodalite Zn3Al6(PO4)12, 4tren, 17H2O (MIL-74): A Combined XRD-NMR Assessment","Journal of the American Chemical Society","2003","125","","9102","9110","10.1021/ja0294818","","","0.71073","MoKα","","0.0325","0.0321","","","0.0954","0.0957","","","","","","1.203","","1101222","","has coordinates","215354","2020-10-21","18:00:00",""
"4113995","14.6533","0.0002","11.7535","0.0002","15.4973","0.0001","90","","90","","90","","2669.06","0.06","161","2","161","2","","","","","","","","4","P n a 21","P 2c -2n","33","(dppe)PtMe4","(dppe)PtMe4","","- C30 H36 P2 Pt -","- C30 H36 P2 Pt -","- C120 H144 P8 Pt4 -","4","1","","Dawn M. Crumpton-Bregel; Karen I. Goldberg","Mechanisms of C-C and C-H Alkane Reductive Eliminations from Octahedral Pt(IV): Reaction via Five-Coordinate Intermediates or Direct Elimination?","Journal of the American Chemical Society","2003","125","","9442","9456","10.1021/ja029140u","","","0.7107","MoKα","","0.0317","0.0302","","","0.0912","0.0949","","","","","","1.028","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113996","10.0224","0.0004","11.1025","0.0004","14.4028","0.0006","83.39","0.002","71.766","0.002","80.506","0.002","1497.88","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","(dppbz)PtMe4","(dppbz)PtMe4","","- C34 H36 P2 Pt -","- C34 H36 P2 Pt -","- C68 H72 P4 Pt2 -","2","1","","Dawn M. Crumpton-Bregel; Karen I. Goldberg","Mechanisms of C-C and C-H Alkane Reductive Eliminations from Octahedral Pt(IV): Reaction via Five-Coordinate Intermediates or Direct Elimination?","Journal of the American Chemical Society","2003","125","","9442","9456","10.1021/ja029140u","","","0.71074","MoKα","","0.0441","0.038","","","0.0868","0.09","","","","","","1.041","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113997","10.0556","0.0001","17.0058","0.0003","16.1268","0.0003","90","","107.046","0.001","90","","2636.6","0.07","161","2","161","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(dppbz)PtMe3H","(dppbz)PtMe3H","","- C29 H34 P2 Pt -","- C29 H34 P2 Pt -","- C116 H136 P8 Pt4 -","4","1","","Dawn M. Crumpton-Bregel; Karen I. Goldberg","Mechanisms of C-C and C-H Alkane Reductive Eliminations from Octahedral Pt(IV): Reaction via Five-Coordinate Intermediates or Direct Elimination?","Journal of the American Chemical Society","2003","125","","9442","9456","10.1021/ja029140u","","","0.7107","MoKα","","0.0512","0.0352","","","0.0765","0.0824","","","","","","1.028","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113998","20.1825","0.0002","21.129","0.0005","10.016","0.0002","90","","90","","90","","4271.18","0.14","174.2","","174.2","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C45 H32 B F15 Hf Si -","- C49 H32 B F15 Hf Si -","- C196 H128 B4 F60 Hf4 Si4 -","4","1","","Aaron D. Sadow; T. Don Tilley","Cationic Hafnium Silyl Complexes and Their Enhanced Reactivity in σ-Bond Metathesis Processes with Si-H and C-H Bonds","Journal of the American Chemical Society","2003","125","","9462","9475","10.1021/ja030024g","","","0.7107","MoKα","","0.0886","0.035","","0.0441","0.032","0.032","","","","","","0.853","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113999","15.2211","0.0013","16.7155","0.0014","15.1522","0.0013","90","","98.436","0.002","90","","3813.4","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H67 Al O5 -","- C39 H67 Al O5 -","- C156 H268 Al4 O20 -","4","1","","Russell A. Stapleton; Brandon R. Galan; Scott Collins; Richard S. Simons; Jered C. Garrison; Wiley J. Youngs","Bulky Aluminum Alkyl Scavengers in Olefin Polymerization with Group 4 Catalysts","Journal of the American Chemical Society","2003","125","","9246","9247","10.1021/ja030121+","","","0.71073","MoKα","","0.0917","0.0611","","","0.1104","0.1233","","","","","","1.017","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4114000","10.9075","0.0005","30.7926","0.0015","11.7696","0.0006","90","","97.804","0.001","90","","3916.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 B F15 O Zr -","- C44 H36 B F15 O Zr -","- C176 H144 B4 F60 O4 Zr4 -","4","1","","Russell A. Stapleton; Brandon R. Galan; Scott Collins; Richard S. Simons; Jered C. Garrison; Wiley J. Youngs","Bulky Aluminum Alkyl Scavengers in Olefin Polymerization with Group 4 Catalysts","Journal of the American Chemical Society","2003","125","","9246","9247","10.1021/ja030121+","","","0.71073","MoKα","","0.033","0.0279","","","0.0706","0.0732","","","","","","1.029","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114001","7.2979","0.0007","13.937","0.003","14.381","0.003","116.3","0.01","90.02","0.01","96.97","0.01","1299.2","0.4","298.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H10 Co Cs N12 O W -","- C20 H8 Co Cs N12 O W -","- C40 H16 Co2 Cs2 N24 O2 W2 -","2","1","","Yoichi Arimoto; Shin-ichi Ohkoshi; Zhuang Jin Zhong; Hidetake Seino; Yasushi Mizobe; Kazuhito Hashimoto","Photoinduced Magnetization in a Two-Dimensional Cobalt Octacyanotungstate","Journal of the American Chemical Society","2003","125","","9240","9241","10.1021/ja030130i","","","0.7107","MoKα","","","0.033","","","","0.088","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114002","9.046","0.0002","31.573","0.0008","12.025","0.0003","90","","94.337","0.002","90","","3424.62","0.14","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tris[di-tert-butyl(methyl)silyl]stannyl","","- C27 H63 Si3 Sn -","- C27 H63 Si3 Sn -","- C108 H252 Si12 Sn4 -","4","1","","Akira Sekiguchi; Tomohide Fukawa; Vladimir Ya. Lee; Masaaki Nakamoto","Tin-Centered Radical and Cation: Stable and Free","Journal of the American Chemical Society","2003","125","","9250","9251","10.1021/ja030156+","","","0.7107","MoKα","","0.0359","0.0315","","","0.0832","0.0861","","","","","","1.057","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114003","15.093","0.0003","21.047","0.0002","18.124","0.0004","90","","101.966","0.001","90","","5632.21","0.18","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tris[di-tert-butyl(methyl)silyl]stannanylium tetrakis(pentafluorophenyl)borate","","- C51 H63 B F20 Si3 Sn -","- C51 H63 B F20 Si3 Sn -","- C204 H252 B4 F80 Si12 Sn4 -","4","1","","Akira Sekiguchi; Tomohide Fukawa; Vladimir Ya. Lee; Masaaki Nakamoto","Tin-Centered Radical and Cation: Stable and Free","Journal of the American Chemical Society","2003","125","","9250","9251","10.1021/ja030156+","","","0.7107","MoKα","","0.0473","0.0428","","","0.12","0.1238","","","","","","1.029","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114004","5.833","0.0007","6.029","0.001","6.24","0.001","80.372","0.008","81.533","0.01","65.942","0.008","196.8","0.05","103","1","103","1","","","","","","","","4","P -1","-P 1","2","","","","- C4 H16 B2 N2 -","- C4 H16 B2 N2 -","- C4 H16 B2 N2 -","1","0.5","","Cory A. Jaska; Karen Temple; Alan J. Lough; Ian Manners","Transition Metal-Catalyzed Formation of Boron-Nitrogen Bonds: Catalytic Dehydrocoupling of Amine-Borane Adducts to Form Aminoboranes and Borazines","Journal of the American Chemical Society","2003","125","","9424","9434","10.1021/ja030160l","","","0.7107","MoKα","","0.1209","0.0963","","","0.2866","0.3002","","","","","","1.162","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114005","7.7831","0.0002","19.9186","0.0003","10.9654","0.0007","90","","90","","90","","1699.95","0.12","150","1","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H18 B3 N3 -","- C18 H18 B3 N3 -","- C72 H72 B12 N12 -","4","1","","Cory A. Jaska; Karen Temple; Alan J. Lough; Ian Manners","Transition Metal-Catalyzed Formation of Boron-Nitrogen Bonds: Catalytic Dehydrocoupling of Amine-Borane Adducts to Form Aminoboranes and Borazines","Journal of the American Chemical Society","2003","125","","9424","9434","10.1021/ja030160l","","","0.71073","MoKα","","0.0318","0.0291","","","0.0702","0.0719","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114006","31.205","0.005","12.278","0.004","22.182","0.004","90","","130.113","0.008","90","","6500","3","293.2","","293.2","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H39 B3 F12 N6 Rh2 S6 -","- C12 H36 B3 F12 N6 Rh2 S6 -","- C96 H288 B24 F96 N48 Rh16 S48 -","8","1","","Takumi Konno; Kazuyuki Haneishi; Masakazu Hirotsu; Tadashi Yamaguchi; Tasuku Ito; Takashi Yoshimura","The First Triple Thiol-thiolate Hydrogen Bond versus Triple Diselenide Bond That Bridges Two Metal Centers","Journal of the American Chemical Society","2003","125","","9244","9245","10.1021/ja0302331","","","0.7107","MoK?a","","0.0924","0.0517","","0.1825","","","","","1.183","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114007","13.517","0.002","13.974","0.002","16.765","0.002","90","","90","","90","","3166.7","0.8","203","2","203","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H39 B3 F12 N6 Rh2 S6 -","- C12 H39 B3 F12 N6 Rh2 S6 -","- C48 H156 B12 F48 N24 Rh8 S24 -","4","1","","Takumi Konno; Kazuyuki Haneishi; Masakazu Hirotsu; Tadashi Yamaguchi; Tasuku Ito; Takashi Yoshimura","The First Triple Thiol-thiolate Hydrogen Bond versus Triple Diselenide Bond That Bridges Two Metal Centers","Journal of the American Chemical Society","2003","125","","9244","9245","10.1021/ja0302331","","","0.7107","MoK?a","","0.0254","0.0243","","0.0688","","","","","0.563","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114008","13.963","0.003","10.569","0.002","16.508","0.002","90","","110.74","0.01","90","","2278.3","0.7","293.2","","293.2","","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C12 H52 B6 F24 N6 O8 Rh2 Se6 -","- C12 H36 B6 F24 N6 O8 Rh2 Se6 -","- C24 H72 B12 F48 N12 O16 Rh4 Se12 -","2","0.5","","Takumi Konno; Kazuyuki Haneishi; Masakazu Hirotsu; Tadashi Yamaguchi; Tasuku Ito; Takashi Yoshimura","The First Triple Thiol-thiolate Hydrogen Bond versus Triple Diselenide Bond That Bridges Two Metal Centers","Journal of the American Chemical Society","2003","125","","9244","9245","10.1021/ja0302331","","","0.7107","MoK?a","","0.092","0.0529","","0.1761","","","","","1.135","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114009","19.082","0.008","9.551","0.004","8.2871","0.0008","90","","90","","90","","1510.3","0.9","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","potassium mercury germanium sulfide (2/3/2/8)","","- Ge2 Hg3 K2 S8 -","- Ge Hg1.5 K S4 -","- Ge8 Hg12 K8 S32 -","8","","","J.-H. Liao; G. M. Marking; K. F. Hsu; Y. Matsushita; M. D. Ewbank; R. Borwick; P. Cunningham; M. J. Rosker; M. G. Kanatzidis","α- and β-A2Hg3M2S8 (A = K, Rb; M = Ge, Sn): Polar Quaternary Chalcogenides with Strong Nonlinear Optical Response","Journal of the American Chemical Society","2003","125","","9484","9493","10.1021/ja034121l","","","0.71073","MoKα","","0.0881","0.0751","","","0.1876","0.1953","","","","","","1.132","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114010","19.5634","0.0025","9.8527","0.0013","8.4667","0.0011","90","","90","","90","","1632","0.4","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","potassium mercury tin sulfide (2/3/2/8)","","- Hg3 K2 S8 Sn2 -","- Hg1.5 K S4 Sn -","- Hg12 K8 S32 Sn8 -","8","","","J.-H. Liao; G. M. Marking; K. F. Hsu; Y. Matsushita; M. D. Ewbank; R. Borwick; P. Cunningham; M. J. Rosker; M. G. Kanatzidis","α- and β-A2Hg3M2S8 (A = K, Rb; M = Ge, Sn): Polar Quaternary Chalcogenides with Strong Nonlinear Optical Response","Journal of the American Chemical Society","2003","125","","9484","9493","10.1021/ja034121l","","","0.71073","MoKα","","0.0445","0.043","","","0.1133","0.1145","","","","","","0.964","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114011","9.5948","0.0007","8.3608","0.0006","9.6638","0.0007","90","","94.637","0.001","90","","772.69","0.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","potassium mercury germanium sulfide (2/3/2/8)","","- Ge2 Hg3 K2 S8 -","- Ge Hg1.5 K S4 -","- Ge4 Hg6 K4 S16 -","4","1","","J.-H. Liao; G. M. Marking; K. F. Hsu; Y. Matsushita; M. D. Ewbank; R. Borwick; P. Cunningham; M. J. Rosker; M. G. Kanatzidis","α- and β-A2Hg3M2S8 (A = K, Rb; M = Ge, Sn): Polar Quaternary Chalcogenides with Strong Nonlinear Optical Response","Journal of the American Chemical Society","2003","125","","9484","9493","10.1021/ja034121l","","","0.71073","MoKα","","0.0427","0.042","","","0.1108","0.1113","","","","","","0.978","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114012","12.469","0.002","12.469","0.002","12.778","0.002","90","","90","","120","","1720.5","0.5","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C55 H76 Cl2 N12 Ni6 O33 Sr -","- C55 H72 Cl2 N12 Ni6 O33.02 Sr -","- C55 H72 Cl2 N12 Ni6 O33.02 Sr -","1","0.166667","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0789","0.0397","","","0.0856","0.0952","","","","","","0.911","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114013","12.5041","0.0008","12.5041","0.0008","12.8523","0.0011","90","","90","","120","","1740.3","0.2","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C55 H76 Ba Cl2 N12 Ni6 O33 -","- C55 H72 Ba Cl2 N12 Ni6 O33.02 -","- C55 H72 Ba Cl2 N12 Ni6 O33.02 -","1","0.166667","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0501","0.0277","","","0.0605","0.0669","","","","","","0.961","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114014","12.4549","0.0011","12.4549","0.0011","12.736","0.002","90","","90","","120","","1711","0.3","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C54 H72 Cl3 La N12 Ni6 O36 -","- C54 H72 Cl3 La N12 Ni6 O36 -","- C54 H72 Cl3 La N12 Ni6 O36 -","1","0.166667","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0846","0.0748","","","0.205","0.226","","","","","","1.075","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114015","12.4792","0.0009","12.4792","0.0009","12.7432","0.0009","90","","90","","120","","1718.6","0.2","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C54 H72 Ce Cl3 N12 Ni6 O36 -","- C54 H72 Ce Cl3 N12 Ni6 O36 -","- C54 H72 Ce Cl3 N12 Ni6 O36 -","1","0.166667","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0536","0.0358","","","0.0978","0.107","","","","","","1.023","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114016","12.4276","0.0012","12.4276","0.0012","12.753","0.002","90","","90","","120","","1705.8","0.4","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C54 H72 Cl3 N12 Ni6 O36 Pr -","- C54 H72 Cl3 N12 Ni6 O36.04 Pr -","- C54 H72 Cl3 N12 Ni6 O36.04 Pr -","1","0.166667","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0632","0.045","","","0.123","0.1367","","","","","","1.027","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114017","12.4749","0.0007","12.4749","0.0007","12.7257","0.0008","90","","90","","120","","1715.09","0.17","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C54 H72 Cl3 N12 Nd Ni6 O36 -","- C54 H72 Cl3 N12 Nd Ni6 O36 -","- C54 H72 Cl3 N12 Nd Ni6 O36 -","1","0.166667","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0421","0.0339","","","0.0934","0.0991","","","","","","1.071","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114018","16.9608","0.001","16.9608","0.001","24.7593","0.0014","90","","90","","120","","6168.2","0.6","150","2","150","2","","","","","","","","8","P -3 1 c","-P 3 2c","163","","","","- C85 H125 B2 F8 N18 Na5 Ni9 O42 -","- C85.02 H90 B2 F8 N18 Na5 Ni9 O42.04 -","- C170.04 H180 B4 F16 N36 Na10 Ni18 O84.08 -","2","0.166667","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.1066","0.0731","","","0.1751","0.2065","","","","","","1.234","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114019","16.764","0.002","20.095","0.002","20.617","0.002","81.121","0.002","66.353","0.002","67.274","0.002","5868.2","1.1","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C78 H112 B3 F12 Li2 N16 Na3 Ni8 O37.5 -","- C78.41 H89 B3.02 F12.0803 Li2 N16 Na3 Ni8 O37.16 -","- C156.82 H178 B6.04 F24.1606 Li4 N32 Na6 Ni16 O74.32 -","2","1","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0721","0.0584","","","0.1744","0.1926","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114020","13.222","0.002","32.678","0.005","20.272","0.003","90","","96.125","0.003","90","","8709","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58.85 H91.4 Cl2 Li4 N12 Ni6 O37.85 -","- C58.85 H60 Cl2.125 Li4 N12 Ni6 O38.35 -","- C235.4 H240 Cl8.5 Li16 N48 Ni24 O153.4 -","4","1","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.1497","0.0982","","","0.2773","0.3024","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114021","15.821","0.004","20.344","0.005","30.792","0.007","90","","95.492","0.005","90","","9865","4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H123 Cs2 I2 N12 Ni6 O45.25 -","- C58 H88 Cs2 I2 N12 Ni6 O45.26 -","- C232 H352 Cs8 I8 N48 Ni24 O181.04 -","4","0.5","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0963","0.0534","","","0.128","0.1515","","","","","","1.02","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114022","17.008","0.002","17.008","0.002","25.054","0.005","90","","90","","120","","6276.5","1.6","203","2","203","2","","","","","","","","7","P -3","-P 3","147","","","","- C84 H124 Cl3 N18 Na4 Ni9 O53.5 -","- C84 H108 Cl3 N18 Na4.01 Ni9 O53.45 -","- C168 H216 Cl6 N36 Na8.02 Ni18 O106.9 -","2","0.333333","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0904","0.0696","","","0.179","0.199","","","","","","0.959","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114023","17.735","0.004","27.149","0.005","28.936","0.006","90","","100.22","0.03","90","","13711","5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92.5 H150.3 Cl4 N18 Na4 Ni9 O61.65 -","- C92.5 H121 Cl4 N18 Na4 Ni9 O61.66 -","- C370 H484 Cl16 N72 Na16 Ni36 O246.64 -","4","1","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0678","0.0549","","","0.153","0.163","","","","","","1.04","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4114024","5.51","0.01","12.59","0.01","14.17","0.01","83.3","0.1","72.61","0.1","81.11","0.1","924","2","","","","","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C38 H52 N10 O5 -","- C38 H52 N10 O5 -","- C38 H52 N10 O5 -","1","1","","W. Seth Horne; C. David Stout; M. Reza Ghadiri","A Heterocyclic Peptide Nanotube","Journal of the American Chemical Society","2003","125","","9372","9376","10.1021/ja034358h","","x-ray","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114025","14.004","0.001","18.397","0.005","25.62","0.004","90","","101.269","0.01","90","","6473","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76.25 H78.5 Cl0.5 Fe2 P4 -","- C76.25 H78.5 Cl0.5 Fe2 P4 -","- C305 H314 Cl2 Fe8 P16 -","4","1","","Haijun Jiao; Karine Costuas; John A. Gladysz; Jean-François Halet; Maud Guillemot; Loic Toupet; Frédéric Paul; Claude Lapinte","Bonding and Electronic Structure in Consanguineous and Conjugal Iron and Rhenium sp Carbon Chain Complexes [MC4M']n+: Computational Analyses of the Effect of the Metal","Journal of the American Chemical Society","2003","125","","9511","9522","10.1021/ja034619n","","","0.71069","MoKα","","0.0931","0.0451","","","0.1077","0.1235","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114026","39.3","0.006","37.74","0.006","25.965","0.004","90","","104.308","0.003","90","","37316","10","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C117.75 H88 B2 F39.5 N24.5 O46.63 Pd6 S10.5 -","- C118.15 H88 B2 F39.5 N24.5 O46.8 Pd6 S10.5 -","- C945.2 H704 B16 F316 N196 O374.4 Pd48 S84 -","8","1","","Jean-Pascal Bourgeois; Makoto Fujita; Masaki Kawano; Shigeru Sakamoto; Kentaro Yamaguchi","A Cationic Guest in a 24+ Cationic Host","Journal of the American Chemical Society","2003","125","","9260","9261","10.1021/ja0349002","","","0.71073","MoKα","","0.2531","0.1087","","","0.2922","0.3994","","","","","","1.145","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114027","10.831","0.002","13.165","0.002","14.474","0.003","93.03","0.014","93.74","0.015","105.361","0.015","1980.6","0.6","100","","100","","","","","","","","?","6","P -1","-P 1","2","","","","- C75 H104 F12 N2 O25 P2 -","- C75 H104 F12 N2 O25 P2 -","- C75 H104 F12 N2 O25 P2 -","1","0.5","","Feihe Huang; Harry W. Gibson; William S. Bryant; Devdatt S. Nagvekar; Frank R. Fronczek","First Pseudorotaxane-Like [3]Complexes Based on Cryptands and Paraquat: Self-Assembly and Crystal Structures","Journal of the American Chemical Society","2003","125","","9367","9371","10.1021/ja034968h","","","0.71073","MoKα","","0.1159","0.047","","0.1014","0.0766","0.0766","","","","","","0.9627","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114028","13.298","0.002","13.641","0.001","15.622","0.001","94.485","0.007","101.04","0.01","99.14","0.01","2728.7","0.5","120","","","","","","","","","","local laboratory","6","P -1","-P 1","2","","","","- C93 H152 F12 N2 O39 P2 -","- C96 H130 F12 N2 O38 P2 -","- C96 H130 F12 N2 O38 P2 -","1","0.5","","Feihe Huang; Harry W. Gibson; William S. Bryant; Devdatt S. Nagvekar; Frank R. Fronczek","First Pseudorotaxane-Like [3]Complexes Based on Cryptands and Paraquat: Self-Assembly and Crystal Structures","Journal of the American Chemical Society","2003","125","","9367","9371","10.1021/ja034968h","","","0.71073","Mo-Kα","","","0.077","","","0.086","","","","","2.89","2.89","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114029","11.199","0.003","16.08","0.003","15.882","0.003","90","","97.36","0.03","90","","2836.5","1.1","148","","148","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(dtbpe)Cu(NH2Ph)][BF4]","","- C24 H47 B Cu F4 N P2 -","- C24 H47 B Cu F4 N P2 -","- C96 H188 B4 Cu4 F16 N4 P8 -","4","1","","Elizabeth D. Blue; Amelia Davis; David Conner; T. Brent Gunnoe; Paul D. Boyle; P. S. White","Synthesis, Solid-State Crystal Structure, and Reactivity of a Monomeric Copper(I) Anilido Complex","Journal of the American Chemical Society","2003","125","","9435","9441","10.1021/ja0353659","","","0.71073","MolybdenumKα","","0.084","0.041","","0.043","0.042","","","","","1.27","1.27","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114030","11.326","0.0007","15.3216","0.0009","13.7667","0.0009","90","","112.752","0.0018","90","","2203.1","0.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(dtbpe)Cu(mu-Cl)]2 (5).","","- C18 H40 Cl Cu P2 -","- C18 H40 Cl Cu P2 -","- C72 H160 Cl4 Cu4 P8 -","4","1","","Elizabeth D. Blue; Amelia Davis; David Conner; T. Brent Gunnoe; Paul D. Boyle; P. S. White","Synthesis, Solid-State Crystal Structure, and Reactivity of a Monomeric Copper(I) Anilido Complex","Journal of the American Chemical Society","2003","125","","9435","9441","10.1021/ja0353659","","","0.71073","MolybdenumKα","","0.058","0.051","","0.063","0.06","","","","","2.32","2.32","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114031","19.486","0.004","14.682","0.003","21.649","0.008","90","","99.58","0.03","90","","6107","3","148","","148","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(dtbpe)Cu(NHPh) (6).","","- C29 H56 Cu N O0.5 P2 -","- C29 H56 Cu N O0.5 P2 -","- C232 H448 Cu8 N8 O4 P16 -","8","2","","Elizabeth D. Blue; Amelia Davis; David Conner; T. Brent Gunnoe; Paul D. Boyle; P. S. White","Synthesis, Solid-State Crystal Structure, and Reactivity of a Monomeric Copper(I) Anilido Complex","Journal of the American Chemical Society","2003","125","","9435","9441","10.1021/ja0353659","","","0.71073","MolybdenumKα","","0.068","0.067","","0.069","0.068","","","","","1.59","1.59","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114032","14.1221","0.0006","14.6697","0.0006","17.6379","0.0008","90","","100.274","0.002","90","","3595.4","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H11 N2 O10 U1.5 Zn -","- C14 H11 N2 O10 U1.5 Zn -","- C112 H88 N16 O80 U12 Zn8 -","8","1","","Wei Chen; Hong-Ming Yuan; Jia-Yu Wang; Zhao-Yue Liu; Jin-Jie Xu; Min Yang; Jie-Sheng Chen","Synthesis, Structure, and Photoelectronic Effects of a Uranium-Zinc-Organic Coordination Polymer Containing Infinite Metal Oxide Sheets","Journal of the American Chemical Society","2003","125","","9266","9267","10.1021/ja035388n","","","0.71073","MoKα","","0.0474","0.0284","","","0.0574","0.0776","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114033","10.813","0.0004","10.813","0.0004","69.271","0.003","90","","90","","120","","7014.1","0.5","183","2","183","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","PMo(O(1-MeCy))3","","","- C21 H39 Mo O3 P -","- C21 H39 Mo O3 P -","- C252 H468 Mo12 O36 P12 -","12","0.333333","","Frances H. Stephens; Joshua S. Figueroa; Paula L. Diaconescu; Christopher C. Cummins","Molybdenum-Phosphorus Triple Bond Stabilization by Ancillary Alkoxide Ligation: Synthesis and Structure of a Terminal Phosphide Tris-1-methylcyclohexanoxide Complex","Journal of the American Chemical Society","2003","125","","9264","9265","10.1021/ja0354317","","","0.71073","MoKα","","0.0394","0.0357","","","0.0958","0.0986","","","","","","1.092","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114034","18.7073","0.0008","16.8765","0.0007","18.0139","0.0007","90","","90","","90","","5687.2","0.4","183","2","183","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","(mu-P2)[Mo(N[i-Pr]Ar)(O-2,6-Me2C6H3)2]2","","","- C59 H75 Mo2 N2 O4 P2 -","- C59 H75 Mo2 N2 O4 P2 -","- C236 H300 Mo8 N8 O16 P8 -","4","0.5","","Frances H. Stephens; Joshua S. Figueroa; Paula L. Diaconescu; Christopher C. Cummins","Molybdenum-Phosphorus Triple Bond Stabilization by Ancillary Alkoxide Ligation: Synthesis and Structure of a Terminal Phosphide Tris-1-methylcyclohexanoxide Complex","Journal of the American Chemical Society","2003","125","","9264","9265","10.1021/ja0354317","","","0.71073","MoKα","","0.0536","0.04","","","0.0895","0.0955","","","","","","1.046","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114035","10.974","0.003","17.451","0.004","19.735","0.006","80.08","0.01","75.44","0.01","73.94","0.02","3493.8","1.7","100","","100","","","","","","","","?","6","P -1","-P 1","2","","","","- C114 H140 F24 N4 O38 P4 -","- C114 H140 F24 N4 O38 P4 -","- C114 H140 F24 N4 O38 P4 -","1","0.5","","Feihe Huang; Frank R. Fronczek; Harry W. Gibson","A Cryptand/Bisparaquat [3]Pseudorotaxane by Cooperative Complexation","Journal of the American Chemical Society","2003","125","","9272","9273","10.1021/ja0355877","","","0.71073","MoKα","","0.1832","0.076","","0.1269","0.0779","0.0779","","","","","","1.0585","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114036","11.4137","0.0005","18.2468","0.0011","22.1105","0.0008","90","","96.798","0.002","90","","4572.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H82 Ge N2 O2 Si4 -","- C40 H82 Ge N2 O2 Si4 -","- C160 H328 Ge4 N8 O8 Si16 -","4","1","","Takeaki Iwamoto; Hidenori Masuda; Shintaro Ishida; Chizuko Kabuto; Mitsuo Kira","Addition of Stable Nitroxide Radical to Stable Divalent Compounds of Heavier Group 14 Elements","Journal of the American Chemical Society","2003","125","","9300","9301","10.1021/ja0356784","","","0.71069","MoKα","","0.0947","0.0533","","","0.1391","0.1564","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114037","20.219","0.001","10.9777","0.0005","20.4742","0.0005","90","","114.605","0.0002","90","","4131.8","0.3","173.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H76 N2 O2 Si4 Sn -","- C34 H76 N2 O2 Si4 Sn -","- C136 H304 N8 O8 Si16 Sn4 -","4","0.5","","Takeaki Iwamoto; Hidenori Masuda; Shintaro Ishida; Chizuko Kabuto; Mitsuo Kira","Addition of Stable Nitroxide Radical to Stable Divalent Compounds of Heavier Group 14 Elements","Journal of the American Chemical Society","2003","125","","9300","9301","10.1021/ja0356784","","","0.7107","MoKα","","","0.0228","","","","0.0587","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114038","9.533","0.002","11.79","0.001","22.226","0.003","82.566","0.004","83.421","0.005","66.981","0.002","2274.2","0.6","293.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H80 O2 Si10 -","- C32 H80 O2 Si10 -","- C64 H160 O4 Si20 -","2","1","","Takeaki Iwamoto; Hidenori Masuda; Shintaro Ishida; Chizuko Kabuto; Mitsuo Kira","Addition of Stable Nitroxide Radical to Stable Divalent Compounds of Heavier Group 14 Elements","Journal of the American Chemical Society","2003","125","","9300","9301","10.1021/ja0356784","","","0.7107","MoKα","","","0.0382","","","","0.1066","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114039","9.114","","19.311","","9.794","","90","","99.95","","90","","1697.82","","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C76 H92 N4 O8 -","4","1","","Jonathan Clayden; Faye E. Knowles; Christel J. Menet","Stereospecific Photochemical Ring Expansion of Lithiated Benzamides","Journal of the American Chemical Society","2003","125","","9278","9279","10.1021/ja035827i","","","0.71069","MoKα","","0.0334","0.0294","","","0.0719","0.0755","","","","","","1.016","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114040","15.164","0.001","11.6439","0.0005","42.775","0.004","90","","98.969","0.001","90","","7460.4","0.9","150","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H66 O Si3 -","- C34.42 O Si3 -","- C275.36 O8 Si24 -","8","2","","Yoshihiro Kon; Jun Ogasawara; Kenkichi Sakamoto; Chizuko Kabuto; Mitsuo Kira","A Stable Silicon Congener of Highly Strained Bicyclo[3.2.0]hepta-1,3,6-triene","Journal of the American Chemical Society","2003","125","","9310","9311","10.1021/ja0359097","","","0.7107","MoKα","","","0.073","","","","0.081","","","","","","2.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114041","12.995","0.003","16.378","0.004","20.711","0.005","90","","98.177","0.004","90","","4363.2","1.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H48 B2 F8 N Ni P3 -","- C45 H48 B2 F8 N Ni P3 -","- C180 H192 B8 F32 N4 Ni4 P12 -","4","1","","Hongyi Hou; Peter K. Gantzel; Clifford P. Kubiak","Hydrocarbation Chemistry Proceeding from Nickel Carbenes","Journal of the American Chemical Society","2003","125","","9564","9565","10.1021/ja030108p","","","0.71073","MoKα","","0.0636","0.0487","","","0.1232","0.1337","","","","","","0.929","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114042","41.974","0.004","11.92","0.0012","19.432","0.002","90","","103.237","0.002","90","","9464.1","1.6","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C48 H54 B2 F11 N Ni O0.5 P3 -","- C48 H54 B2 F11 N Ni O0.5 P3 -","- C384 H432 B16 F88 N8 Ni8 O4 P24 -","8","1","","Hongyi Hou; Peter K. Gantzel; Clifford P. Kubiak","Hydrocarbation Chemistry Proceeding from Nickel Carbenes","Journal of the American Chemical Society","2003","125","","9564","9565","10.1021/ja030108p","","","0.71073","MoKα","","0.0906","0.0645","","","0.1856","0.2063","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114043","10.9342","0.0016","13.0238","0.0019","20.049","0.003","103.697","0.003","99.503","0.003","95.084","0.002","2711.4","0.7","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C54 H68 B2 Cl F8 N Ni O P3 -","- C54 H68 B2 Cl F8 N Ni O P3 -","- C108 H136 B4 Cl2 F16 N2 Ni2 O2 P6 -","2","1","","Hongyi Hou; Peter K. Gantzel; Clifford P. Kubiak","Hydrocarbation Chemistry Proceeding from Nickel Carbenes","Journal of the American Chemical Society","2003","125","","9564","9565","10.1021/ja030108p","","","0.71073","MoKα","","0.0933","0.0685","","","0.1836","0.197","","","","","","1.123","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114044","11.438","0.002","12.049","0.002","17.182","0.003","100.544","0.003","93.697","0.003","93.104","0.003","2317.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H54 B2 F8 N Ni P3 -","- C49 H54 B2 F8 N Ni P3 -","- C98 H108 B4 F16 N2 Ni2 P6 -","2","1","","Hongyi Hou; Peter K. Gantzel; Clifford P. Kubiak","Hydrocarbation Chemistry Proceeding from Nickel Carbenes","Journal of the American Chemical Society","2003","125","","9564","9565","10.1021/ja030108p","","","0.71073","MoKα","","0.1115","0.0703","","","0.1766","0.2016","","","","","","1.003","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114045","5.727","0.002","17.49","0.003","6.955","0.002","90","","110.2","0.02","90","","653.8","0.3","150","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H21 N O3 -","- C14 H21 N O3 -","- C28 H42 N2 O6 -","2","1","","Marco Lerm; Hans-Joachim Gais; Kejun Cheng; Cornelia Vermeeren","Asymmetric Synthesis of the Highly Potent Anti-Metastatic Prostacyclin Analogue Cicaprost and Its Isomer Isocicaprost","Journal of the American Chemical Society","2003","125","","9653","9667","10.1021/ja030200l","","","1.54179","CuKα","","","0.09","","","","0.102","","","","","","1.208","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4114046","17.2666","0.0003","22.805","0.0004","19.3648","0.0002","90","","104.291","0.001","90","","7389.2","0.2","200","1","200","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C58 H110 I3 O0.5 P6 Pt3 -","- C57.9 H109.8 I3 O0.5 P6 Pt3 -","- C231.6 H439.2 I12 O2 P24 Pt12 -","4","1","","Yury K. Kryschenko; S. Russell Seidel; David C. Muddiman; Angelito I. Nepomuceno; Peter J. Stang","Coordination-Driven Self-Assembly of Supramolecular Cages: Heteroatom-Containing and Complementary Trigonal Prisms","Journal of the American Chemical Society","2003","125","","9647","9652","10.1021/ja030209n","","","0.71073","MoKα","","0.0753","0.0472","","","0.0987","0.1112","","","","","","1.014","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114047","18.021","0.0003","18.021","0.0003","23.936","0.0004","90","","90","","120","","6731.94","0.19","150","1","150","1","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C54 H102 Br3 O P7 Pt3 -","- C54 H102 Br3 O P7 Pt3 -","- C216 H408 Br12 O4 P28 Pt12 -","4","0.666667","","Yury K. Kryschenko; S. Russell Seidel; David C. Muddiman; Angelito I. Nepomuceno; Peter J. Stang","Coordination-Driven Self-Assembly of Supramolecular Cages: Heteroatom-Containing and Complementary Trigonal Prisms","Journal of the American Chemical Society","2003","125","","9647","9652","10.1021/ja030209n","","","0.71073","MoKα","","0.0379","0.0328","","","0.0747","0.0777","","","","","","1.049","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114048","17.7286","0.0004","15.9567","0.0005","30.9432","0.001","90","","101.233","0.002","90","","8585.8","0.4","200","1","200","1","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C59 H109 Cl2 F9 O10 P6 Pt3 S3 Si -","- C59 H107 Cl2 F9 O10 P6 Pt3 S3 Si -","- C236 H428 Cl8 F36 O40 P24 Pt12 S12 Si4 -","4","1","","Yury K. Kryschenko; S. Russell Seidel; David C. Muddiman; Angelito I. Nepomuceno; Peter J. Stang","Coordination-Driven Self-Assembly of Supramolecular Cages: Heteroatom-Containing and Complementary Trigonal Prisms","Journal of the American Chemical Society","2003","125","","9647","9652","10.1021/ja030209n","","","0.71073","MoKα","","0.1179","0.0749","","","0.1693","0.1897","","","","","","1.082","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114049","7.6977","0.0008","10.5919","0.0013","12.777","0.0014","76.219","0.004","78.6","0.004","76.464","0.007","972.49","0.19","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C28 H16 N2 -","- C28 H16 N2 -","- C56 H32 N4 -","2","1","","Yury K. Kryschenko; S. Russell Seidel; David C. Muddiman; Angelito I. Nepomuceno; Peter J. Stang","Coordination-Driven Self-Assembly of Supramolecular Cages: Heteroatom-Containing and Complementary Trigonal Prisms","Journal of the American Chemical Society","2003","125","","9647","9652","10.1021/ja030209n","","","0.71073","MoKα","","0.1222","0.0669","","","0.1551","0.1898","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114050","10.3083","0.0001","19.7382","0.0001","37.0881","0.0001","90","","92.119","0.001","90","","7541.05","0.09","173","","173","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C71.47 H58 B Cl1.42 F24 N O P Rh Si -","- C72 H58 B Cl3 F24 N O P Rh Si -","- C288 H232 B4 Cl12 F96 N4 O4 P4 Rh4 Si4 -","4","1","","Felicia L. Taw; Alexander H. Mueller; Robert G. Bergman; Maurice Brookhart","A Mechanistic Investigation of the Carbon-Carbon Bond Cleavage of Aryl and Alkyl Cyanides Using a Cationic Rh(III) Silyl Complex","Journal of the American Chemical Society","2003","125","","9808","9813","10.1021/ja034468o","","","0.71073","MolybdenumKα","","0.173","0.076","","0.117","0.083","","","","","1.89","1.89","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114051","21.047","0.004","12.394","0.003","13.721","0.003","90","","101.324","0.003","90","","3509.5","1.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","kw3apybr","","","- C31 H41 Br3 Cl2 N6 -","- C31 H41 Br3 Cl2 N6 -","- C124 H164 Br12 Cl8 N24 -","4","1","","Karl J. Wallace; Warwick J. Belcher; David R. Turner; Kauser F. Syed; Jonathan W. Steed","Slow Anion Exchange, Conformational Equilibria, and Fluorescent Sensing in Venus Flytrap Aminopyridinium-Based Anion Hosts","Journal of the American Chemical Society","2003","125","","9699","9715","10.1021/ja034921w","","","0.71073","MoKα","","0.1162","0.0654","","","0.1286","0.1494","","","","","","1.009","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114052","12.8356","0.0002","13.5677","0.0002","40.1694","0.0007","90","","90","","90","","6995.48","0.19","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","kfs02","","","- C31 H40 Br3 N6 O -","- C31 H40 Br3 N6 O -","- C248 H320 Br24 N48 O8 -","8","1","","Karl J. Wallace; Warwick J. Belcher; David R. Turner; Kauser F. Syed; Jonathan W. Steed","Slow Anion Exchange, Conformational Equilibria, and Fluorescent Sensing in Venus Flytrap Aminopyridinium-Based Anion Hosts","Journal of the American Chemical Society","2003","125","","9699","9715","10.1021/ja034921w","","","0.71073","MoKα","","0.122","0.0622","","","0.1435","0.1682","","","","","","1.03","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114053","21.801","0.004","11.741","0.002","18.512","0.004","90","","113.781","0.003","90","","4336.1","1.4","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H44 Cl2 F18 N6 O P3 -","- C31.5 H41 Cl2 F18 N6 O P3 -","- C126 H164 Cl8 F72 N24 O4 P12 -","4","1","","Karl J. Wallace; Warwick J. Belcher; David R. Turner; Kauser F. Syed; Jonathan W. Steed","Slow Anion Exchange, Conformational Equilibria, and Fluorescent Sensing in Venus Flytrap Aminopyridinium-Based Anion Hosts","Journal of the American Chemical Society","2003","125","","9699","9715","10.1021/ja034921w","","","0.71073","MoKα","","0.2043","0.1348","","","0.2582","0.2881","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114054","9.9283","0.0003","23.4328","0.0008","16.091","0.0003","90","","95.029","0.002","90","","3729.13","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H51 Br3 N6 O3 -","- C33 H51 Br3 N6 O3 -","- C132 H204 Br12 N24 O12 -","4","1","","Karl J. Wallace; Warwick J. Belcher; David R. Turner; Kauser F. Syed; Jonathan W. Steed","Slow Anion Exchange, Conformational Equilibria, and Fluorescent Sensing in Venus Flytrap Aminopyridinium-Based Anion Hosts","Journal of the American Chemical Society","2003","125","","9699","9715","10.1021/ja034921w","","","0.71073","MoKα","","0.0581","0.0371","","","0.0681","0.0741","","","","","","1.02","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4114055","10.1837","0.0003","14.8317","0.0005","22.3545","0.0001","90","","90","","90","","3376.46","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 Br3 N3 O -","- C32 H42 Br3 N3 O -","- C128 H168 Br12 N12 O4 -","4","1","","Karl J. Wallace; Warwick J. Belcher; David R. Turner; Kauser F. Syed; Jonathan W. Steed","Slow Anion Exchange, Conformational Equilibria, and Fluorescent Sensing in Venus Flytrap Aminopyridinium-Based Anion Hosts","Journal of the American Chemical Society","2003","125","","9699","9715","10.1021/ja034921w","","","0.71073","MoKα","","0.0591","0.0502","","","0.1098","0.1139","","","","","","1.05","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114056","11.8589","0.0002","16.2547","0.0003","19.7964","0.0004","84.524","0.008","77.22","0.009","86.894","0.008","3702.34","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","kfs06","","","- C34.25 H53 Br3 N3 O4.5 -","- C34.25 H36 Br3 N3 O4.5 -","- C137 H144 Br12 N12 O18 -","4","2","","Karl J. Wallace; Warwick J. Belcher; David R. Turner; Kauser F. Syed; Jonathan W. Steed","Slow Anion Exchange, Conformational Equilibria, and Fluorescent Sensing in Venus Flytrap Aminopyridinium-Based Anion Hosts","Journal of the American Chemical Society","2003","125","","9699","9715","10.1021/ja034921w","","","0.71073","MoKα","","0.107","0.0632","","","0.157","0.1785","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114057","9.89","0.002","17.6","0.004","22.45","0.005","104.4","0.03","97.6","0.03","91.3","0.03","3745.4","1.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H77 F18 N8 O P3 -","- C80 H77 F18 N8 O P3 -","- C160 H154 F36 N16 O2 P6 -","2","1","","Karl J. Wallace; Warwick J. Belcher; David R. Turner; Kauser F. Syed; Jonathan W. Steed","Slow Anion Exchange, Conformational Equilibria, and Fluorescent Sensing in Venus Flytrap Aminopyridinium-Based Anion Hosts","Journal of the American Chemical Society","2003","125","","9699","9715","10.1021/ja034921w","","","0.71073","MoKα","","0.2488","0.1881","","","0.3042","0.3269","","","","","","1.311","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114058","12.4472","0.0007","35.944","0.002","8.7929","0.0005","90","","91.507","0.001","90","","3932.6","0.4","115","2","115","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H71 N P2 Re Si2 -","- C36 H71 N P2 Re Si2 -","- C144 H284 N4 P8 Re4 Si8 -","4","1","","Oleg V. Ozerov; Lori A. Watson; Maren Pink; Kenneth G. Caulton","A π-Basic Rhenium Center that Effects Cyclohexene Isomerization to a β-Agostic Carbene Ligand","Journal of the American Chemical Society","2003","125","","9604","9605","10.1021/ja035165x","","","0.71073","MoKα","","0.0617","0.0415","","","0.0791","0.0849","","","","","","1.192","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4114059","19.1227","0.0017","13.7054","0.0012","18.6492","0.0017","90","","105.57","0.002","90","","4708.3","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Cr N O4 P -","- C25 H20 Cr N O4 P -","- C200 H160 Cr8 N8 O32 P8 -","8","1","","Miguel A. Sierra; Israel Fernández; María J. Mancheño; Mar Gómez-Gallego; M. Rosario Torres; Fernando P. Cossío; Ana Arrieta; Begoña Lecea; Ana Poveda; Jesús Jiménez-Barbero","Light-Induced Aminocarbene to Imine Dyotropic Rearrangement in a Chromium(0) Center: An Unprecedented Reaction Pathway","Journal of the American Chemical Society","2003","125","","9572","9573","10.1021/ja035614t","","","0.71073","MoKα","","0.139","0.0787","","","0.2379","0.2703","","","","","","0.998","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114060","12.2949","0.0007","14.9666","0.0008","27.1432","0.0015","90","","97.601","0.001","90","","4950.8","0.5","98","","98","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54.5 H77 Cl2 N2 P Ru -","- C54.5 H77 Cl2 N2 P Ru -","- C218 H308 Cl8 N8 P4 Ru4 -","4","1","","Jennifer A. Love; Melanie S. Sanford; Michael W. Day; Robert H. Grubbs","Synthesis, Structure, and Activity of Enhanced Initiators for Olefin Metathesis","Journal of the American Chemical Society","2003","125","","10103","10109","10.1021/ja027472t","","","0.71073","MoKα","","0.0479","0.0374","","","0.0764","0.0782","","","","","","2.658","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114061","12.955","0.0007","13.7527","0.0007","25.7007","0.0013","90","","101.754","0.001","90","","4483","0.4","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H47 Cl5 N2 P Ru -","- C49 H47 Cl5 N2 P Ru -","- C196 H188 Cl20 N8 P4 Ru4 -","4","1","","Jennifer A. Love; Melanie S. Sanford; Michael W. Day; Robert H. Grubbs","Synthesis, Structure, and Activity of Enhanced Initiators for Olefin Metathesis","Journal of the American Chemical Society","2003","125","","10103","10109","10.1021/ja027472t","","","0.71073","MoKα","","0.0969","0.0552","","","0.0803","0.0839","","","","","","1.869","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4114062","23.6408","0.0007","23.6408","0.0007","45.2398","0.0019","90","","90","","120","","21896.5","1.3","98","2","98","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C53 H54 Cl2 N2 P Ru -","- C52.738 H53.738 Cl2 N2 P Ru -","- C949.284 H967.284 Cl36 N36 P18 Ru18 -","18","1","","Jennifer A. Love; Melanie S. Sanford; Michael W. Day; Robert H. Grubbs","Synthesis, Structure, and Activity of Enhanced Initiators for Olefin Metathesis","Journal of the American Chemical Society","2003","125","","10103","10109","10.1021/ja027472t","","","0.71073","MoKα","","0.0812","0.0559","","","0.1361","0.1377","","","","","","3.793","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4114063","9.8889","0.0002","28.9225","0.0006","21.2731","0.0004","90","","78.3397","0.0016","90","","5958.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Mn(hfac)2(PyrimPhNIT)]2","","","- C48 H36 F24 Mn2 N6 O10 -","- C48 H27 F24 Mn2 N6 O10 -","- C192 H108 F96 Mn8 N24 O40 -","4","1","","Lora M. Field; Paul M. Lahti; Fernando Palacio; Armando Paduan-Filho","Manganese(II) and Copper(II) Hexafluoroacetylacetonate 1:1 Complexes with 5-(4-[N-tert-Butyl-N-aminoxyl]phenyl)pyrimidine: Regiochemical Parity Analysis for Exchange Behavior of Complexes between Radicals and Paramagnetic Cations","Journal of the American Chemical Society","2003","125","","10110","10118","10.1021/ja0343813","","","0.71073","MoKα","","0.1678","0.1341","","","0.3377","0.3584","","","","","","2.537","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114064","13.505","0.0002","14.5352","0.0002","33.6543","0.0005","90","","100.954","0.0005","90","","6485.91","0.16","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Cu(hfac)2(PyrimPhNIT)]2","","","- C48 H36 Cu2 F24 N6 O10 -","- C48 H36 Cu2 F24 N6 O10 -","- C192 H144 Cu8 F96 N24 O40 -","4","0.5","","Lora M. Field; Paul M. Lahti; Fernando Palacio; Armando Paduan-Filho","Manganese(II) and Copper(II) Hexafluoroacetylacetonate 1:1 Complexes with 5-(4-[N-tert-Butyl-N-aminoxyl]phenyl)pyrimidine: Regiochemical Parity Analysis for Exchange Behavior of Complexes between Radicals and Paramagnetic Cations","Journal of the American Chemical Society","2003","125","","10110","10118","10.1021/ja0343813","","","0.71073","MoKα","","0.1475","0.128","","","0.3634","0.3732","","","","","","2.798","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114065","23.594","","21.648","","23.914","","90","","114.1","","90","","11149.7","","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","non-covalent capsule","","","- C104 H144 N8 O33.5 S4 -","- C104 H144 N8 O33.5 S4 -","- C416 H576 N32 O134 S16 -","4","1","","Francesca Corbellini; Luigi Di Costanzo; Mercedes Crego-Calama; Silvano Geremia; David N. Reinhoudt","Guest Encapsulation in a Water-Soluble Molecular Capsule Based on Ionic Interactions","Journal of the American Chemical Society","2003","125","","9946","9947","10.1021/ja034535e","","","1","Synchrotron","","0.174","0.1604","","","0.4451","0.4557","","","","","","2.008","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114066","12.636","0.002","25.769","0.005","12.646","0.002","90","","90.035","0.01","90","","4117.8","1.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","t-Butyl-calix[4]arene","t-Butyl-calix[4]arene","","- C44 H56 O4 -","- C44 H56 O4 -","- C176 H224 O16 -","4","1","","Gary D. Enright; Konstantin A. Udachin; Igor L. Moudrakovski; John A. Ripmeester","Thermally Programmable Gas Storage and Release in Single Crystals of an Organic van der Waals Host","Journal of the American Chemical Society","2003","125","","9896","9897","10.1021/ja0351701","","","0.7107","MoKα","","0.1565","0.0641","","","0.1286","0.1522","","","","","","0.859","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114067","12.629","0.004","25.768","0.007","12.647","0.004","90","","90.003","0.005","90","","4116","2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","t-Butyl-calix[4]arene*0.75Xe","t-Butyl-calix[4]arene*0.75Xe","","- C44 H56 O4 Xe0.75 -","- C44 H56 O4 Xe0.75 -","- C176 H224 O16 Xe3 -","4","1","","Gary D. Enright; Konstantin A. Udachin; Igor L. Moudrakovski; John A. Ripmeester","Thermally Programmable Gas Storage and Release in Single Crystals of an Organic van der Waals Host","Journal of the American Chemical Society","2003","125","","9896","9897","10.1021/ja0351701","","","0.7107","MoKα","","0.2466","0.2143","","","0.4749","0.4939","","","","","","1.895","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114068","15.414","0.007","25.048","0.012","23.332","0.011","90","","104.807","0.01","90","","8709","7","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H92 Co4 Cs N21 Ru3 -","- C80 H92 Co4 Cs N21 Ru3 -","- C320 H368 Co16 Cs4 N84 Ru12 -","4","1","","Matthew L. Kuhlman; Thomas B. Rauchfuss","Structural Chemistry of ""Defect"" Cyanometalate Boxes: {Cs@[CpCo(CN)3]4[Cp*Ru]3} and {M@[Cp*Rh(CN)3]4[Cp*Ru]3} (M = NH4, Cs)","Journal of the American Chemical Society","2003","125","","10084","10092","10.1021/ja035253h","","","0.71073","MoKα","","0.1399","0.0651","","","0.1555","0.1882","","","","","","0.876","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114069","25.987","0.01","17.203","0.006","23.432","0.009","90","","90","","90","","10475","7","193","2","193","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C93 H126.5 N17.5 O0.5 Rh4 Ru3 -","- C82 H111 N13 Rh4 Ru3 -","- C328 H444 N52 Rh16 Ru12 -","4","0.5","","Matthew L. Kuhlman; Thomas B. Rauchfuss","Structural Chemistry of ""Defect"" Cyanometalate Boxes: {Cs@[CpCo(CN)3]4[Cp*Ru]3} and {M@[Cp*Rh(CN)3]4[Cp*Ru]3} (M = NH4, Cs)","Journal of the American Chemical Society","2003","125","","10084","10092","10.1021/ja035253h","","","0.71073","MoKα","","0.0355","0.0284","","","0.0672","0.0698","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114070","14.926","0.0012","48.475","0.004","16.0926","0.0012","90","","104.076","0.003","90","","11294","1.6","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H135 Cs N22 Rh4 Ru3 -","- C102 H135 Cs N22 Rh4 Ru3 -","- C408 H540 Cs4 N88 Rh16 Ru12 -","4","1","","Matthew L. Kuhlman; Thomas B. Rauchfuss","Structural Chemistry of ""Defect"" Cyanometalate Boxes: {Cs@[CpCo(CN)3]4[Cp*Ru]3} and {M@[Cp*Rh(CN)3]4[Cp*Ru]3} (M = NH4, Cs)","Journal of the American Chemical Society","2003","125","","10084","10092","10.1021/ja035253h","","","0.71073","MoKα","","0.1285","0.1215","","","0.2541","0.2569","","","","","","1.341","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114071","10.0838","0.0017","20.023","0.003","22.504","0.004","95.518","0.003","95.25","0.003","93.827","0.004","4490.6","1.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H88 N16 O8 Ru4 -","- C92 H72 N16 O8 Ru4 -","- C184 H144 N32 O16 Ru8 -","2","1","","Guo-Lin Xu; Gang Zou; Yu-Hua Ni; Maria C. DeRosa; Robert J. Crutchley; Tong Ren","Polyyn-diyls Capped by Diruthenium Termini: A New Family of Carbon-Rich Organometallic Compounds and Distance-Dependent Electronic Coupling Therein","Journal of the American Chemical Society","2003","125","","10057","10065","10.1021/ja035434j","","","0.71073","MoKα","","0.1594","0.0747","","","0.1852","0.2116","","","","","","0.821","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114072","10.162","0.0012","13.026","0.0015","19.802","0.002","71.838","0.002","77.106","0.002","81.344","0.002","2418.5","0.5","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H96 N16 O4 Ru4 -","- C104.38 H72 N16 O3.424 Ru4 -","- C104.38 H72 N16 O3.424 Ru4 -","1","0.5","","Guo-Lin Xu; Gang Zou; Yu-Hua Ni; Maria C. DeRosa; Robert J. Crutchley; Tong Ren","Polyyn-diyls Capped by Diruthenium Termini: A New Family of Carbon-Rich Organometallic Compounds and Distance-Dependent Electronic Coupling Therein","Journal of the American Chemical Society","2003","125","","10057","10065","10.1021/ja035434j","","","0.71073","MoKα","","0.1341","0.0677","","","0.1531","0.1917","","","","","","1.093","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114073","23.167","0.005","20.983","0.005","14.609","0.002","90","","123.415","0.008","90","","5928","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C184 H76 Cl8 Cr2 -","- C182.8 H76 Cl8 Cr2 -","- C365.6 H152 Cl16 Cr4 -","2","0.25","","Dmitri V. Konarev; Salavat S. Khasanov; Gunzi Saito; Akihiro Otsuka; Yukihiro Yoshida; Rimma N. Lyubovskaya","Formation of Single-Bonded (C60-)2 and (C70-)2 Dimers in Crystalline Ionic Complexes of Fullerenes","Journal of the American Chemical Society","2003","125","","10074","10083","10.1021/ja035546a","","","0.71073","MoKα","","0.1193","0.0808","","","0.2235","0.2591","","","","","","1.031","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114074","22.793","0.001","20.785","0.001","24.747","0.001","90","","106.387","0.003","90","","11247.7","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C368 H152 Cl16 Cr4 -","- C368 H152 Cl16 Cr4 -","- C736 H304 Cl32 Cr8 -","2","1","","Dmitri V. Konarev; Salavat S. Khasanov; Gunzi Saito; Akihiro Otsuka; Yukihiro Yoshida; Rimma N. Lyubovskaya","Formation of Single-Bonded (C60-)2 and (C70-)2 Dimers in Crystalline Ionic Complexes of Fullerenes","Journal of the American Chemical Society","2003","125","","10074","10083","10.1021/ja035546a","","","0.71073","MoKα","","0.0812","0.0508","","","0.1239","0.1469","","","","","","1.015","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114075","9.9479","0.0002","13.4003","0.0002","25.1111","0.0003","90","","90.684","0.001","90","","3347.19","0.09","223","2","223","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","[PdCl(C3H2N2tBu2)2(C6H4COOMe)].1/2C6D6)","","","- C33 H47 Cl D3 N4 O2 Pd -","- C33 H50 Cl N4 O2 Pd -","- C132 H200 Cl4 N16 O8 Pd4 -","4","1","","Alexandra K. de K. Lewis; Stephen Caddick; F. Geoffrey N. Cloke; Norman C. Billingham; Peter B. Hitchcock; John Leonard","Synthetic, Structural, and Mechanistic Studies on the Oxidative Addition of Aromatic Chlorides to a Palladium (N-Heterocyclic Carbene) Complex: Relevance to Catalytic Amination","Journal of the American Chemical Society","2003","125","","10066","10073","10.1021/ja035565k","","x-ray","0.71073","MoKα","","0.0336","0.0287","","","0.0684","0.0709","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114076","12.9986","0.0001","13.6632","0.0001","23.115","0.0002","90","","99.423","0.001","90","","4049.89","0.06","223","2","223","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","[PdCl(C6H4OMe)(C3H2N2tBu2)2].2(C6D6)","","","- C41 H47 Cl D12 N4 O Pd -","- C41 H59 Cl N4 O Pd -","- C164 H236 Cl4 N16 O4 Pd4 -","4","1","","Alexandra K. de K. Lewis; Stephen Caddick; F. Geoffrey N. Cloke; Norman C. Billingham; Peter B. Hitchcock; John Leonard","Synthetic, Structural, and Mechanistic Studies on the Oxidative Addition of Aromatic Chlorides to a Palladium (N-Heterocyclic Carbene) Complex: Relevance to Catalytic Amination","Journal of the American Chemical Society","2003","125","","10066","10073","10.1021/ja035565k","","x-ray","0.71073","MoKα","","0.0448","0.0366","","","0.0894","0.0944","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114077","10.439","0.003","35.341","0.01","17.675","0.005","90","","98.729","0.005","90","","6445","3","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","compound (5)","","","- C30 H36 B Ir N6 O7 -","- C30 H36 B Ir N6 O7 -","- C240 H288 B8 Ir8 N48 O56 -","8","2","","Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Verónica Salazar; Enrique Oñate; Kurt Mereiter","Formation of Unusual Iridabenzene and Metallanaphthalene Containing Electron-Withdrawing Substituents","Journal of the American Chemical Society","2003","125","","9898","9899","10.1021/ja035655p","","","0.71073","MoKα","","0.052","0.0364","","","0.0699","0.0746","","","","","","1.023","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114078","10.8289","0.0007","31.296","0.002","11.2884","0.0007","90","","103.605","0.001","90","","3718.3","0.4","100","0.2","100","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","compound (3)","","","- C34 H40 B Cl2 Ir N6 O10 -","- C34 H40 B Cl2 Ir N6 O10 -","- C136 H160 B4 Cl8 Ir4 N24 O40 -","4","1","","Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Verónica Salazar; Enrique Oñate; Kurt Mereiter","Formation of Unusual Iridabenzene and Metallanaphthalene Containing Electron-Withdrawing Substituents","Journal of the American Chemical Society","2003","125","","9898","9899","10.1021/ja035655p","","","0.71073","MoKα","","0.0699","0.0446","","","0.0905","0.0971","","","","","","0.996","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114079","11.2272","0.0014","18.882","0.002","19.527","0.003","75.816","0.002","78.055","0.002","75.87","0.002","3844","0.9","100","2","100","0.2","","","","","","","","7","P -1","-P 1","2","compound (4)","","","- C33.25 H40.5 B Cl0.5 Ir N6 O14 -","- C33.25 H40.5 B Cl0.5 Ir N6 O14 -","- C133 H162 B4 Cl2 Ir4 N24 O56 -","4","2","","Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Verónica Salazar; Enrique Oñate; Kurt Mereiter","Formation of Unusual Iridabenzene and Metallanaphthalene Containing Electron-Withdrawing Substituents","Journal of the American Chemical Society","2003","125","","9898","9899","10.1021/ja035655p","","","0.71073","MoKα","","0.091","0.042","","","0.0661","0.0731","","","","","","0.782","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114080","22.6242","","13.3503","","12.3642","","90","","68.913","","90","","3484.4","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","CIT-1","","- O112 Si56 -","- O112 Si56 -","- O112 Si56 -","1","0.125","","Lobo, R. F.; Davis, M. E.","CIT-1: A New Molecular Sieve with Intersecting Pores Bounded by 10- and 12-Rings","J. Am. Chem. Soc.","1995","117","","3766","3779","10.1021/ja00118a013","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114081","31.05","0.002","52.013","0.004","37.379","0.004","90","","107.013","0.005","90","","57725","9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C464 H396 F96 N96 O105 Pb16 S64 -","- C464 H396 F96 N96 O105 Pb16 S64 -","- C1856 H1584 F384 N384 O420 Pb64 S256 -","4","1","","Mihail Barboiu; Gavin Vaughan; Roland Graff; Jean-Marie Lehn","Self-Assembly, Structure, and Dynamic Interconversion of Metallosupramolecular Architectures Generated by Pb(II) Binding-Induced Unfolding of a Helical Ligand","Journal of the American Chemical Society","2003","125","","10257","10265","10.1021/ja0301929","","","0.32826","X-Rays","","0.2071","0.1248","","","0.3209","0.3663","","","","","","1.042","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114082","9.9304","0.0009","15.003","0.0014","19.6514","0.0018","90","","90","","90","","2927.8","0.5","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 B F4 P2 Rh -","- C31 H40 B F4 P2 Rh -","- C124 H160 B4 F16 P8 Rh4 -","4","1","","Garrett Hoge","Synthesis of Both Enantiomers of a P-Chirogenic 1,2-Bisphospholanoethane Ligand via Convergent Routes and Application to Rhodium-Catalyzed Asymmetric Hydrogenation of CI-1008 (Pregabalin)","Journal of the American Chemical Society","2003","125","","10219","10227","10.1021/ja034715o","","","0.71073","MoKα","","0.0336","0.0279","","","0.0698","0.072","","","","","","1.038","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114083","14.36","0.05","6.58","0.05","20.31","0.05","90","","104.3","0.2","90","","1860","16","","","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H30 B O3 P -","- C15 H25.5 B O3 P -","- C60 H102 B4 O12 P4 -","4","2","","Garrett Hoge","Synthesis of Both Enantiomers of a P-Chirogenic 1,2-Bisphospholanoethane Ligand via Convergent Routes and Application to Rhodium-Catalyzed Asymmetric Hydrogenation of CI-1008 (Pregabalin)","Journal of the American Chemical Society","2003","125","","10219","10227","10.1021/ja034715o","","","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114084","8.1838","0.0006","11.4812","0.0008","20.296","0.0015","100.001","0.002","96.33","0.002","97.787","0.002","1843.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H45 Cl N12 O7 -","- C35 H45 Cl N12 O7 -","- C70 H90 Cl2 N24 O14 -","2","1","","Sung Ok Kang; José M. Llinares; Douglas Powell; David VanderVelde; Kristin Bowman-James","New Polyamide Cryptand for Anion Binding","Journal of the American Chemical Society","2003","125","","10152","10153","10.1021/ja034969+","","","0.71073","MoKα","","0.0526","0.0473","","","0.1238","0.1282","","","","","","1.01","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114085","11.2721","0.0014","20.173","0.002","23.226","0.003","90","","91.96","0.003","90","","5278.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.9 H77.89 Cl0.21 F N12.9 O6 -","- C50.8955 H77.8955 Cl0.209 F N12.8955 O6 -","- C203.582 H311.582 Cl0.836 F4 N51.582 O24 -","4","1","","Sung Ok Kang; José M. Llinares; Douglas Powell; David VanderVelde; Kristin Bowman-James","New Polyamide Cryptand for Anion Binding","Journal of the American Chemical Society","2003","125","","10152","10153","10.1021/ja034969+","","","0.71073","MoKα","","0.1023","0.0555","","","0.1289","0.1509","","","","","","1.014","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114086","5.2071","0.0004","9.5194","0.0012","14.4674","0.0013","90","","99.666","0.008","90","","706.95","0.12","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H9 Br2 N -","- C3 H9 Br2 N -","- C12 H36 Br8 N4 -","4","1","","Erick Schutte; T. J. R. Weakley; David R. Tyler","Radical Cage Effects in the Photochemical Degradation of Polymers: Effect of Radical Size and Mass on the Cage Recombination Efficiency of Radical Cage Pairs Generated Photochemically from the (CpCH2CH2N(CH3)C(O)(CH2)nCH3)2Mo2(CO)6 (n= 3, 8, 18) Complexes","Journal of the American Chemical Society","2003","125","","10319","10326","10.1021/ja035030r","","","0.71073","MoKα","","0.1118","0.067","","0.141","","0.07","","","2.01","","","2.37","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114087","13.563","0.002","19.372","0.003","23.892","0.003","90","","97.22","0.02","90","","6227.7","1.6","301.2","","301.2","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H100 Au Cl N2 O6 P4 Pt -","- C54 H92 Au Cl N2 O8 P4 Pt -","- C216 H368 Au4 Cl4 N8 O32 P16 Pt4 -","4","1","","Bao-Hui Xia; Hong-Xing Zhang; Chi-Ming Che; King-Hung Leung; David Lee Phillips; Nianyong Zhu; Zhong-Yuan Zhou","Metal-Metal Interactions in Heterobimetallic d8-d10 Complexes. Structures and Spectroscopic Investigation of [M'M''(μ-dcpm)2(CN)2]+ (M' = Pt, Pd; M'' = Cu, Ag, Au) and Related Complexes by UV-vis Absorption and Resonance Raman Spectroscopy and ab Initio Calculations","Journal of the American Chemical Society","2003","125","","10362","10374","10.1021/ja0355325","","","0.7107","MoKalpha","","","0.0334","","","0.0452","","","","","1.556","1.556","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114088","24.934","0.006","18.83","0.004","26.82","0.006","90","","90","","90","","12592","5","294","2","294","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C54 H96 Ag F3 N2 O4 P4 Pt S -","- C54 H91 Ag F3 N2 O4 P4 Pt S -","- C432 H728 Ag8 F24 N16 O32 P32 Pt8 S8 -","8","1","","Bao-Hui Xia; Hong-Xing Zhang; Chi-Ming Che; King-Hung Leung; David Lee Phillips; Nianyong Zhu; Zhong-Yuan Zhou","Metal-Metal Interactions in Heterobimetallic d8-d10 Complexes. Structures and Spectroscopic Investigation of [M'M''(μ-dcpm)2(CN)2]+ (M' = Pt, Pd; M'' = Cu, Ag, Au) and Related Complexes by UV-vis Absorption and Resonance Raman Spectroscopy and ab Initio Calculations","Journal of the American Chemical Society","2003","125","","10362","10374","10.1021/ja0355325","","","0.71073","MoKα","","0.243","0.0612","","","0.1131","0.1416","","","","","","0.953","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114089","16.4799","0.0015","19.3868","0.0017","19.1861","0.0017","90","","94.761","0.002","90","","6108.7","0.9","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C53 H94 B Cl2 Cu F4 N2 P4 Pt -","- C53 H92 B Cl2 Cu F4 N2 P4 Pt -","- C212 H368 B4 Cl8 Cu4 F16 N8 P16 Pt4 -","4","1","","Bao-Hui Xia; Hong-Xing Zhang; Chi-Ming Che; King-Hung Leung; David Lee Phillips; Nianyong Zhu; Zhong-Yuan Zhou","Metal-Metal Interactions in Heterobimetallic d8-d10 Complexes. Structures and Spectroscopic Investigation of [M'M''(μ-dcpm)2(CN)2]+ (M' = Pt, Pd; M'' = Cu, Ag, Au) and Related Complexes by UV-vis Absorption and Resonance Raman Spectroscopy and ab Initio Calculations","Journal of the American Chemical Society","2003","125","","10362","10374","10.1021/ja0355325","","","0.71073","MoKα","","0.1252","0.052","","","0.1269","0.1735","","","","","","0.833","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114090","20.247","0.004","13.113","0.003","25.482","0.005","90","","108.31","0.03","90","","6423","3","301","2","301","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C54 H100 Au Cl N2 O2 P4 Pd -","- C54 H90.5 Au Cl N2 O2 P4 Pd -","- C216 H362 Au4 Cl4 N8 O8 P16 Pd4 -","4","2","","Bao-Hui Xia; Hong-Xing Zhang; Chi-Ming Che; King-Hung Leung; David Lee Phillips; Nianyong Zhu; Zhong-Yuan Zhou","Metal-Metal Interactions in Heterobimetallic d8-d10 Complexes. Structures and Spectroscopic Investigation of [M'M''(μ-dcpm)2(CN)2]+ (M' = Pt, Pd; M'' = Cu, Ag, Au) and Related Complexes by UV-vis Absorption and Resonance Raman Spectroscopy and ab Initio Calculations","Journal of the American Chemical Society","2003","125","","10362","10374","10.1021/ja0355325","","","0.71073","MoKα","","0.0592","0.0453","","","0.1254","0.1431","","","","","","1.003","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114091","13.561","0.003","19.339","0.004","23.767","0.005","90","","97.58","0.03","90","","6179","2","301","2","301","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H100 Au Cl N2 Ni O6 P4 -","- C54 H92 Au Cl N2 Ni O6 P4 -","- C216 H368 Au4 Cl4 N8 Ni4 O24 P16 -","4","1","","Bao-Hui Xia; Hong-Xing Zhang; Chi-Ming Che; King-Hung Leung; David Lee Phillips; Nianyong Zhu; Zhong-Yuan Zhou","Metal-Metal Interactions in Heterobimetallic d8-d10 Complexes. Structures and Spectroscopic Investigation of [M'M''(μ-dcpm)2(CN)2]+ (M' = Pt, Pd; M'' = Cu, Ag, Au) and Related Complexes by UV-vis Absorption and Resonance Raman Spectroscopy and ab Initio Calculations","Journal of the American Chemical Society","2003","125","","10362","10374","10.1021/ja0355325","","","0.71069","MoKα","","0.057","0.0342","","","0.0915","0.1134","","","","","","0.961","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114092","7.39916","0.00013","8.65284","0.00027","13.3816","0.0004","90","","99.9122","0.0018","90","","843.95","0.04","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N10 -","- C6 H6 N10 -","- C24 H24 N40 -","4","1","","Barbara Jürgens; Elisabeth Irran; Jürgen Senker; Peter Kroll; Helen Müller; Wolfgang Schnick","Melem (2,5,8-Triamino-tri-s-triazine), an Important Intermediate during Condensation of Melamine Rings to Graphitic Carbon Nitride: Synthesis, Structure Determination by X-ray Powder Diffractometry, Solid-State NMR, and Theoretical Studies","Journal of the American Chemical Society","2003","125","","10288","10300","10.1021/ja0357689","powder diffraction","","1.5406","CuKα1","","","","","","","","","","0.94","","","","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114093","10.0476","0.0005","15.29","0.0008","17.8404","0.0009","69.177","0.001","89.916","0.001","74.787","0.001","2459.1","0.2","213","2","213","2","","","","","","","","6","P 1","P 1","1","","cis-{[bis(mu-acetato)]-bis[(mu-di(p-tolyl)formamidinato)]diruthenium(II,III) chloride(p-tolylformamidine) dichloromethane solvate","","- C44 H49 Cl5 N6 O4 Ru2 -","- C44 H49 Cl5 N6 O4 Ru2 -","- C88 H98 Cl10 N12 O8 Ru4 -","2","2","","Panagiotis Angaridis; John F. Berry; F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang","Molecular Squares with Paramagnetic Diruthenium Corners: Synthetic and Crystallographic Challenges","Journal of the American Chemical Society","2003","125","","10327","10334","10.1021/ja036095x","","","0.71073","MoKα","","0.0479","0.0375","","","0.0828","0.0889","","","","","","1.021","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114094","12.2674","0.0009","19.9635","0.0014","14.324","0.001","90","","100.386","0.001","90","","3450.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-{bis(mu-acetato)-bis[mu-(para-anisylformamidinato])}diruthenium(II-III) chloride-monohydrate","","- C34 H38 Cl N4 O9 Ru2 -","- C34 H38 Cl N4 O9 Ru2 -","- C136 H152 Cl4 N16 O36 Ru8 -","4","1","","Panagiotis Angaridis; John F. Berry; F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang","Molecular Squares with Paramagnetic Diruthenium Corners: Synthetic and Crystallographic Challenges","Journal of the American Chemical Society","2003","125","","10327","10334","10.1021/ja036095x","","","0.71073","MoKα","","0.0448","0.0295","","","0.066","0.072","","","","","","1.029","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114095","19.9157","0.0014","19.9157","0.0014","25.76","0.004","90","","90","","90","","10217.3","1.9","213","2","213","2","","","","","","","","6","I 4/m","-I 4","87","{cis-(DAniF)2Ru2Cl(oxalate)(H2O)}4 (CH3CN) 2(C6H14) 12H2O","","","- C142 H183 Cl4 N17 O48 Ru8 -","- C142 H127.12 Cl4 N17 O48 Ru8 -","- C284 H254.24 Cl8 N34 O96 Ru16 -","2","0.125","","Panagiotis Angaridis; John F. Berry; F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang","Molecular Squares with Paramagnetic Diruthenium Corners: Synthetic and Crystallographic Challenges","Journal of the American Chemical Society","2003","125","","10327","10334","10.1021/ja036095x","","","0.71073","MoKα","","0.1231","0.082","","","0.1973","0.2443","","","","","","1.147","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114096","19.208","0.0011","20.6163","0.0012","22.5781","0.0013","89.698","0.001","66.277","0.001","70.313","0.001","7618.4","0.8","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C240.72 H288.38 Cl38 N21.41 O32 Ru8 -","- C240.726 H286.382 Cl38.002 N21.414 O32 Ru8 -","- C240.726 H286.382 Cl38.002 N21.414 O32 Ru8 -","1","0.5","","Panagiotis Angaridis; John F. Berry; F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang","Molecular Squares with Paramagnetic Diruthenium Corners: Synthetic and Crystallographic Challenges","Journal of the American Chemical Society","2003","125","","10327","10334","10.1021/ja036095x","","","0.71073","MoKα","","0.0963","0.0652","","","0.1724","0.1926","","","","","","1.096","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114097","13.1218","0.0006","13.1291","0.0005","20.8767","0.0011","94.223","0.005","98.564","0.006","105.832","0.005","3396.8","0.3","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C72 H102 Pb3 -","- C71.98 H101.95 Pb3 -","- C143.96 H203.9 Pb6 -","2","1","","Frank Stabenow; Wolfgang Saak; Heinrich Marsmann; Manfred Weidenbruch","Hexaarylcyclotriplumbane: A Molecule with a Homonuclear Ring System of Lead","Journal of the American Chemical Society","2003","125","","10172","10173","10.1021/ja036299d","","","0.71073","MoKα","","0.0351","0.0242","","","0.0514","0.0534","","","","","","0.9","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114098","6.1863","0.0005","17.08","0.0016","10.741","0.001","90","","99.767","0.002","90","","1118.47","0.17","243","2","243","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N4 O2 -","- C26 H28 N4 O2 -","- C52 H56 N8 O4 -","2","0.5","","Qian Miao; Thuc-Quyen Nguyen; Takao Someya; Graciela B. Blanchet; Colin Nuckolls","Synthesis, Assembly, and Thin Film Transistors of Dihydrodiazapentacene: An Isostructural Motif for Pentacene","Journal of the American Chemical Society","2003","125","","10284","10287","10.1021/ja036466+","","","0.71073","MoKα","","0.0587","0.0484","","","0.1729","0.19","","","","","","1.045","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114099","5.7504","0.0014","8.853","0.002","13.142","0.003","87.218","0.005","84.87","0.006","86.213","0.004","664.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","","Qian Miao; Thuc-Quyen Nguyen; Takao Someya; Graciela B. Blanchet; Colin Nuckolls","Synthesis, Assembly, and Thin Film Transistors of Dihydrodiazapentacene: An Isostructural Motif for Pentacene","Journal of the American Chemical Society","2003","125","","10284","10287","10.1021/ja036466+","","","0.71073","MoKα","","0.1945","0.0577","","","0.0932","0.1159","","","","","","1.005","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114100","12.8633","0.0001","13.695","0.0002","20.5183","0.0001","90","","102.564","0.001","90","","3528.01","0.06","238","2","238","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H76 K4 N24 O49 S2 -","- C40 H36 K4 N24 O49 S2 -","- C80 H72 K8 N48 O98 S4 -","2","0.5","","Sang Yong Jon; Narayanan Selvapalam; Dong Hyun Oh; Jin-Koo Kang; Soo-Young Kim; Young Jin Jeon; Jae Wook Lee; Kimoon Kim","Facile Synthesis of Cucurbit[n]uril Derivatives via Direct Functionalization: Expanding Utilization of Cucurbit[n]uril","Journal of the American Chemical Society","2003","125","","10186","10187","10.1021/ja036536c","","","0.71073","MoKα","","0.0884","0.0731","","","0.1905","0.2037","","","","","","1.073","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114101","12.1641","0.0013","5.7004","0.0006","13.6078","0.0015","90","","108.086","0.002","90","","896.95","0.17","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 Br N O4 -","- C17 H22 Br N O4 -","- C34 H44 Br2 N2 O8 -","2","1","","Chuo Chen; Xiaodong Li; Stuart L. Schreiber","Catalytic Asymmetric [3+2] Cycloaddition of Azomethine Ylides. Development of a Versatile Stepwise, Three-Component Reaction for Diversity-Oriented Synthesis","Journal of the American Chemical Society","2003","125","","10174","10175","10.1021/ja036558z","","","0.71073","MoKα","","0.0423","0.0361","","","0.0924","0.0956","","","","","","1.004","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114102","9.431","0.002","10.027","0.002","11.824","0.001","107.336","0.005","90.416","0.008","113.695","0.005","967","0.3","123.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 Bi F -","- C24 H20 Bi F -","- C48 H40 Bi2 F2 -","2","1","","Takashi Ooi; Ryoji Goto; Keiji Maruoka","Fluorotetraphenylbismuth: A New Reagent for Efficient Regioselective α-Phenylation of Carbonyl Compounds","Journal of the American Chemical Society","2003","125","","10494","10495","10.1021/ja030150k","","","0.7107","MoKα","","","0.0321","","","","0.0904","","","","","","1.134","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114103","7.469","0.003","8.452","0.004","31.817","0.012","90","","90","","90","","2008.5","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C84 H92 N12 O20 -","4","1","","Ung Chan Yoon; Ying Xue Jin; Sun Wha Oh; Chan Hyo Park; Jong Hoon Park; Charles F. Campana; Xiaolu Cai; Eileen N. Duesler; Patrick S. Mariano","A Synthetic Strategy for the Preparation of Cyclic Peptide Mimetics Based on SET-Promoted Photocyclization Processes","Journal of the American Chemical Society","2003","125","","10664","10671","10.1021/ja030297b","","","0.71073","MoKα","","0.1054","0.0624","","","0.1338","0.1581","","","","","","1.059","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114104","6.6763","0.0014","15.329","0.003","16.572","0.004","111.772","0.006","97.092","0.013","93.043","0.014","1553.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 N4 O6 -","- C36 H36 N4 O6 -","- C72 H72 N8 O12 -","2","1","","Ung Chan Yoon; Ying Xue Jin; Sun Wha Oh; Chan Hyo Park; Jong Hoon Park; Charles F. Campana; Xiaolu Cai; Eileen N. Duesler; Patrick S. Mariano","A Synthetic Strategy for the Preparation of Cyclic Peptide Mimetics Based on SET-Promoted Photocyclization Processes","Journal of the American Chemical Society","2003","125","","10664","10671","10.1021/ja030297b","","","0.71073","MoKα","","0.0576","0.0387","","","0.1025","0.1154","","","","","","1.064","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114105","10.2589","0.0013","13.3262","0.0012","24.287","0.003","90","","90","","90","","3320.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H38 N4 O5 -","- C38 H38 N4 O5 -","- C152 H152 N16 O20 -","4","1","","Ung Chan Yoon; Ying Xue Jin; Sun Wha Oh; Chan Hyo Park; Jong Hoon Park; Charles F. Campana; Xiaolu Cai; Eileen N. Duesler; Patrick S. Mariano","A Synthetic Strategy for the Preparation of Cyclic Peptide Mimetics Based on SET-Promoted Photocyclization Processes","Journal of the American Chemical Society","2003","125","","10664","10671","10.1021/ja030297b","","","0.71073","MoKα","","0.0497","0.0359","","","0.0813","0.0877","","","","","","1.028","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114106","10.8635","0.0012","13.9599","0.0017","15.9849","0.0018","90","","90","","90","","2424.2","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N3 O4 -","- C28 H27 N3 O4 -","- C112 H108 N12 O16 -","4","1","","Ung Chan Yoon; Ying Xue Jin; Sun Wha Oh; Chan Hyo Park; Jong Hoon Park; Charles F. Campana; Xiaolu Cai; Eileen N. Duesler; Patrick S. Mariano","A Synthetic Strategy for the Preparation of Cyclic Peptide Mimetics Based on SET-Promoted Photocyclization Processes","Journal of the American Chemical Society","2003","125","","10664","10671","10.1021/ja030297b","","","0.71073","MoKα","","0.0646","0.0412","","","0.1003","0.1182","","","","","","1.158","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114107","9.8833","0.0005","24.7789","0.0012","37.5458","0.0019","90","","90","","90","","9194.9","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C96 H98 Cl4 N10 O12 -","- C100.48 H108.078 Cl2 N10 O12 -","- C401.92 H432.312 Cl8 N40 O48 -","4","1","","Ung Chan Yoon; Ying Xue Jin; Sun Wha Oh; Chan Hyo Park; Jong Hoon Park; Charles F. Campana; Xiaolu Cai; Eileen N. Duesler; Patrick S. Mariano","A Synthetic Strategy for the Preparation of Cyclic Peptide Mimetics Based on SET-Promoted Photocyclization Processes","Journal of the American Chemical Society","2003","125","","10664","10671","10.1021/ja030297b","","","0.71073","MoKα","","0.0988","0.081","","","0.2057","0.2161","","","","","","1.117","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114108","12.408","0.002","15.433","0.003","21.717","0.004","101.477","0.003","104.861","0.004","95.632","0.004","3890","1.2","183.2","","183.2","","","","","","","","","5","P 1","P 1","1","","","","- C175 H153 I N4 O26 -","- C175 I N4 O26 -","- C175 I N4 O26 -","1","1","","Kenji Kobayashi; Kei Ishii; Shigeru Sakamoto; Toshiaki Shirasaka; Kentaro Yamaguchi","Guest-Induced Assembly of Tetracarboxyl-Cavitand and Tetra(3-pyridyl)-Cavitand into a Heterodimeric Capsule via Hydrogen Bonds and CH-Halogen and/or CH-π Interaction: Control of the Orientation of the Encapsulated Guest","Journal of the American Chemical Society","2003","125","","10615","10624","10.1021/ja035337q","","","0.7107","MoKα","","0.1636","0.164","","0.197","","0.197","","","3.391","","","3.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114109","12.57","0.003","19.354","0.004","21.471","0.005","63.99","0.04","75.32","0.05","76.08","0.05","4491","2","103.2","","","","","","","","","","","4","P 1","P 1","1","","","","- C206 H189 N5 O26 -","- C206 N5 O26 -","- C206 N5 O26 -","1","1","","Kenji Kobayashi; Kei Ishii; Shigeru Sakamoto; Toshiaki Shirasaka; Kentaro Yamaguchi","Guest-Induced Assembly of Tetracarboxyl-Cavitand and Tetra(3-pyridyl)-Cavitand into a Heterodimeric Capsule via Hydrogen Bonds and CH-Halogen and/or CH-π Interaction: Control of the Orientation of the Encapsulated Guest","Journal of the American Chemical Society","2003","125","","10615","10624","10.1021/ja035337q","","","0.7107","MoKα","","","0.159","","","","0.173","","","","","","4.633","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114110","10.0978","0.0002","26.1707","0.0006","26.6031","0.0007","90","","90","","90","","7030.3","0.3","296.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 N2 Ni O2 -","- C36 H52 N2 Ni O2 -","- C288 H416 N16 Ni8 O16 -","8","2","","Yuichi Shimazaki; Fumito Tani; Kôichi Fukui; Yoshinori Naruta; Osamu Yamauchi","One-Electron Oxidized Nickel(II)-(Disalicylidene)diamine Complex: Temperature-Dependent Tautomerism between Ni(III)-Phenolate and Ni(II)-Phenoxyl Radical States","Journal of the American Chemical Society","2003","125","","10512","10513","10.1021/ja035806o","","","0.7107","MoKα","","","0.0783","","","","0.2174","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114111","14.14","0.003","14.218","0.003","18.155","0.004","98.7","0.03","101.5","0.03","105.75","0.03","3359.8","1.5","180","2","180","2","","","","","","","","5","P -1","-P 1","2","(o-C6F4Hg)3-4(Me2S)","","","- C26 H24 F12 Hg3 S4 -","- C26 H24 F12 Hg3 S4 -","- C104 H96 F48 Hg12 S16 -","4","2","","Mitsukimi Tsunoda; François P. Gabbaï","Hexacoordination of a Dimethyl Sulfide Molecule","Journal of the American Chemical Society","2003","125","","10492","10493","10.1021/ja036197n","","","0.71073","MoKα","","0.0836","0.0585","","","0.1493","0.169","","","","","","1.065","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114112","11.151","0.002","10.743","0.002","17.987","0.004","90","","90","","90","","2154.8","0.7","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","(o-C6F4Hg)3-(Me2S)","","","- C20 H6 F12 Hg3 S -","- C20 H6 F12 Hg3 S -","- C80 H24 F48 Hg12 S4 -","4","0.5","","Mitsukimi Tsunoda; François P. Gabbaï","Hexacoordination of a Dimethyl Sulfide Molecule","Journal of the American Chemical Society","2003","125","","10492","10493","10.1021/ja036197n","","","0.71073","MoKα","","0.1012","0.0702","","","0.1106","0.1221","","","","","","1.046","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114113","9.4525","0.0015","14.379","0.002","20.348","0.003","90","","90","","90","","2765.6","0.7","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H72 B2 Cl6 F8 O2 Pt4 -","- C48 H72 B2 Cl6 F8 O2 Pt4 -","- C96 H144 B4 Cl12 F16 O4 Pt8 -","2","0.5","","Endre Szuromi; Hui Shan; Paul R. Sharp","Alkene Oxidation by a Platinum Oxo Complex and Isolation of a Platinaoxetane","Journal of the American Chemical Society","2003","125","","10522","10523","10.1021/ja036496c","","","0.71073","MoKα","","0.0345","0.0276","","","0.048","0.0497","","","","","","0.999","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114114","15.588","0.002","15.588","0.002","16.268","0.003","90","","90","","90","","3952.9","1","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","polyoxovanadogermanate","","","- C8 H28 Ge4 N4 O28 V7 -","- C8 H28 Ge4 N4 O28 V7 -","- C32 H112 Ge16 N16 O112 V28 -","4","0.5","","Akhilesh Tripathi; Timothy Hughbanks; Abraham Clearfield","The First Framework Solid Composed of Vanadosilicate Clusters","Journal of the American Chemical Society","2003","125","","10528","10529","10.1021/ja0365173","","","0.71073","MoKα","","0.0677","0.0453","","","0.1265","0.1358","","","","","","1.079","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114115","16.169","0.002","16.169","0.002","18.199","0.004","90","","90","","90","","4757.9","1.3","293","2","293","2","","","","","","","","7","P -4 21 c","P -4 2n","114","vanadosilicate","","","- C8 H16 Ge0 N6.5 O27.5 Si4 V9 -","- C8 H16 N6.5 O27.5 Si4 V9 -","- C32 H64 N26 O110 Si16 V36 -","4","0.5","","Akhilesh Tripathi; Timothy Hughbanks; Abraham Clearfield","The First Framework Solid Composed of Vanadosilicate Clusters","Journal of the American Chemical Society","2003","125","","10528","10529","10.1021/ja0365173","","","0.71073","MoKα","","0.065","0.072","","","0.1537","0.1455","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114116","12.8563","0.0008","15.5927","0.0009","18.9159","0.0011","105.647","0.001","100.891","0.001","91.528","0.001","3573.6","0.4","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","2:1 Tri-N,N',N''-(n-butyl)mellitic triimide/2,3,6,7,10,11-hexahydroxytriphenylene co-crystal","","- C69 H85.4 N7 O25.2 -","- C69 H77 N7 O25.2 -","- C138 H154 N14 O50.4 -","2","1","","Lee Y. Park; Darren G. Hamilton; Edward A. McGehee; Kathryn A. McMenimen","Complementary C3-Symmetric Donor-Acceptor Components: Cocrystal Structure and Control of Mesophase Stability","Journal of the American Chemical Society","2003","125","","10586","10590","10.1021/ja036540o","","","0.71073","MoKα","","0.1166","0.1047","","","0.2368","0.2434","","","","","","1.281","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114117","15.507","0.0002","12.028","0.0003","8.874","0.0006","90","","90","","90","","1655.16","0.12","130","2","130","2","","","","","","","","5","P n m a","-P 2ac 2n","62","suzuki03","","","- C13 H21 Ir N4 S2 -","- C13 H21 Ir N4 S2 -","- C52 H84 Ir4 N16 S8 -","4","0.5","","Takayoshi Suzuki; Antonio G. DiPasquale; James M. Mayer","Nitrogen Atom Insertion into Ir-S and C-S Bonds Initiated by Photolysis of Iridium(III)-Azido-Dithiocarbamato Complexes","Journal of the American Chemical Society","2003","125","","10514","10515","10.1021/ja0365779","","","0.71073","MoKα","","0.0498","0.0302","","","0.0536","0.0572","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114118","10.454","0.0004","11.16","0.0006","14.133","0.001","84.117","0.0017","87.457","0.0016","66.235","0.004","1501.08","0.15","130","2","130","2","","","","","","","","5","P -1","-P 1","2","suzuki05d","","","- C26 H42 Ir2 N4 S4 -","- C26 H42 Ir2 N4 S4 -","- C52 H84 Ir4 N8 S8 -","2","1","","Takayoshi Suzuki; Antonio G. DiPasquale; James M. Mayer","Nitrogen Atom Insertion into Ir-S and C-S Bonds Initiated by Photolysis of Iridium(III)-Azido-Dithiocarbamato Complexes","Journal of the American Chemical Society","2003","125","","10514","10515","10.1021/ja0365779","","","0.71073","MoKα","","0.0783","0.0505","","","0.1115","0.1228","","","","","","0.999","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114119","9.729","0.0003","11.251","0.0004","14.133","0.0006","90","","101.808","0.0014","90","","1514.28","0.1","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","suzuki06","","","- C13 H21 Ir N2 S2 -","- C13 H21 Ir N2 S2 -","- C52 H84 Ir4 N8 S8 -","4","1","","Takayoshi Suzuki; Antonio G. DiPasquale; James M. Mayer","Nitrogen Atom Insertion into Ir-S and C-S Bonds Initiated by Photolysis of Iridium(III)-Azido-Dithiocarbamato Complexes","Journal of the American Chemical Society","2003","125","","10514","10515","10.1021/ja0365779","","","0.71073","MoKα","","0.0629","0.0384","","","0.072","0.0776","","","","","","1.005","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114120","23.885","0.002","6.8806","0.0005","13.1037","0.0011","90","","90.844","0.002","90","","2153.3","0.3","200","2","200","2","","","","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","","2-(tert-Butyldimethylsilanyloxy)-5-hydroxy-6-vinyl- 11-oxatricyclo[7.4.1.1^10,13^]pentadeca-3,7-diyn-12-one","","- C22 H30 O4 Si -","- C22 H30 O4 Si -","- C88 H120 O16 Si4 -","4","1","","M. F. Semmelhack; Lingyun Wu; Robert A. Pascal; Douglas M. Ho","Conformational Control in Activation of an Enediyne","Journal of the American Chemical Society","2003","125","","10496","10497","10.1021/ja036763e","","","0.71073","MoKα","","0.1076","0.0582","","0.1701","0.1413","","","","1.03","1.128","1.128","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114121","27.6648","0.0005","6.4448","0.0001","10.6563","0.0002","90","","90","","90","","1899.96","0.06","200","2","200","2","","","","","","","chemical synthesis","5","P n a 21","P 2c -2n","33","","2-(tert-Butyldimethylsilanyloxymethyl)-4-(2,2-dichlorovinyl)- 6-oxabicyclo[3.2.1]octan-7-one","","- C16 H26 Cl2 O3 Si -","- C16 H26 Cl2 O3 Si -","- C64 H104 Cl8 O12 Si4 -","4","1","","M. F. Semmelhack; Lingyun Wu; Robert A. Pascal; Douglas M. Ho","Conformational Control in Activation of an Enediyne","Journal of the American Chemical Society","2003","125","","10496","10497","10.1021/ja036763e","","","0.71073","MoKα","","0.0621","0.0439","","0.117","0.1055","","","","1.044","1.044","1.044","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114122","7.097","0.0004","12.8795","0.0008","14.9886","0.0009","97.534","0.002","96.639","0.003","100.131","0.003","1323.47","0.14","200","2","200","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","","2,15-Dihydroxy-11,24-dioxapentacyclo[7.4.1.1^10,13^,7.4.1.1^23,26^]- triaconta-5,18-diene-3,7,16,20-tetrayne-12,25-dione Dichloromethane Solvate","","- C29 H26 Cl2 O6 -","- C28 H24 O6 -","- C56 H48 O12 -","2","1","","M. F. Semmelhack; Lingyun Wu; Robert A. Pascal; Douglas M. Ho","Conformational Control in Activation of an Enediyne","Journal of the American Chemical Society","2003","125","","10496","10497","10.1021/ja036763e","","","0.71073","MoKα","","0.0908","0.0587","","0.1674","0.1528","","","","1.054","1.228","1.228","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114123","22.496","0.005","13.385","0.003","26.155","0.005","90","","99.54","0.03","90","","7767","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76.75 H108 Ga2 K2 N6 Ni -","- C76.75 H98 Ga2 K2 N6 Ni -","- C307 H392 Ga8 K8 N24 Ni4 -","4","1","","Robert J. Baker; Cameron Jones; Jamie A. Platts","Analogies between the Reactivities of an Anionic Gallium(I) Heterocycle and N-Heterocyclic Carbenes Toward Metallocenes","Journal of the American Chemical Society","2003","125","","10534","10535","10.1021/ja036933n","","","0.71073","MoKα","","0.1242","0.0846","","","0.1899","0.2105","","","","","","1.081","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114124","15.991","0.003","13.198","0.003","16.475","0.003","90","","96.27","0.03","90","","3456.2","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H104 Ga2 N8 Ni -","- C66 H96 Ga2 N8 Ni -","- C132 H192 Ga4 N16 Ni2 -","2","0.5","","Robert J. Baker; Cameron Jones; Jamie A. Platts","Analogies between the Reactivities of an Anionic Gallium(I) Heterocycle and N-Heterocyclic Carbenes Toward Metallocenes","Journal of the American Chemical Society","2003","125","","10534","10535","10.1021/ja036933n","","","0.71073","MoKα","","0.1144","0.0636","","","0.1291","0.145","","","","","","0.988","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114125","5.765","0.0003","11.109","0.0006","13.156","0.0008","100.428","0.002","98.991","0.0017","92.456","0.004","816.26","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","tetrasodium bis(N,N'-1,4-phenylenebis(oxamate)) cuprate(II) undecahydrate","","- C20 H30 Cu2 N4 Na4 O23 -","- C20 H8 Cu2 N4 Na4 O23 -","- C20 H8 Cu2 N4 Na4 O23 -","1","0.5","","Emilio Pardo; Juan Faus; Miguel Julve; Francesc Lloret; M. Carmen Muñoz; Joan Cano; Xavier Ottenwaelder; Yves Journaux; Rosa Carrasco; Gonzalo Blay; Isabel Fernández; Rafael Ruiz-García","Long-Range Magnetic Coupling through Extended π-Conjugated Aromatic Bridges in Dinuclear Copper(II) Metallacyclophanes","Journal of the American Chemical Society","2003","125","","10770","10771","10.1021/ja030060f","","","0.71073","MoKα","","0.0849","0.0787","","","0.2193","0.2278","","","","","","0.94","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114126","13.9134","0.0015","13.9628","0.0018","19.057","0.002","106.645","0.003","107.171","0.004","91.862","0.005","3361.2","0.7","90","2","90","2","","","","","","","","3","P -1","-P 1","2","(Dipp*Al)2C7H8.2C7H8","","","- C81 H98 Al2 -","- C81 H98 Al2 -","- C162 H196 Al4 -","2","1","","Robert J. Wright; Andrew D. Phillips; Philip P. Power","The [2 + 4] Diels-Alder Cycloadditon Product of a Probable Dialuminene, Ar'AlAlAr' (Ar' = C6H3- 2,6-Dipp2; Dipp = C6H3-2,6-Pri2), with Toluene","Journal of the American Chemical Society","2003","125","","10784","10785","10.1021/ja034478p","","","0.71073","MoKα","","0.0552","0.0396","","","0.0988","0.1114","","","","","","1.036","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114127","13.5724","0.0012","19.0587","0.0017","15.5757","0.0014","90","","114.603","0.003","90","","3663.2","0.6","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Dipp*AlI)2.2C6H6","","","- C42 H49 Al I -","- C42 H49 Al I -","- C168 H196 Al4 I4 -","4","1","","Robert J. Wright; Andrew D. Phillips; Philip P. Power","The [2 + 4] Diels-Alder Cycloadditon Product of a Probable Dialuminene, Ar'AlAlAr' (Ar' = C6H3- 2,6-Dipp2; Dipp = C6H3-2,6-Pri2), with Toluene","Journal of the American Chemical Society","2003","125","","10784","10785","10.1021/ja034478p","","","0.71073","MoKα","","0.0471","0.0426","","","0.121","0.1245","","","","","","1.069","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114128","25.3192","0.0002","25.3192","0.0002","64.098","0.001","90","","90","","120","","35585.7","0.7","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C346 H555 Ba2 N97 O110 Si16 -","- C346 H535 Ba2 N97 O109.99 Si16 -","- C1038 H1605 Ba6 N291 O329.97 Si48 -","3","0.5","","Xiaodong Shi; Katherine M. Mullaugh; James C. Fettinger; Yun Jiang; Steven A. Hofstadler; Jeffery T. Davis","Lipophilic G-Quadruplexes Are Self-Assembled Ion Pair Receptors, and the Bound Anion Modulates the Kinetic Stability of These Complexes","Journal of the American Chemical Society","2003","125","","10830","10841","10.1021/ja035267n","","","0.71073","MoKα","","0.0944","0.0735","","","0.1984","0.2134","","","","","","1.063","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114129","53.2556","0.0018","66.114","0.002","27.398","0.0009","90","","90","","90","","96467","5","193","2","193","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C682.5 H1110.5 Ba4 Cl1.5 N190 O212 Si32 -","- C682.5 H1061.5 Ba4 Cl1.5 N190 O211.95 Si32 -","- C2730 H4246 Ba16 Cl6 N760 O847.8 Si128 -","4","1","","Xiaodong Shi; Katherine M. Mullaugh; James C. Fettinger; Yun Jiang; Steven A. Hofstadler; Jeffery T. Davis","Lipophilic G-Quadruplexes Are Self-Assembled Ion Pair Receptors, and the Bound Anion Modulates the Kinetic Stability of These Complexes","Journal of the American Chemical Society","2003","125","","10830","10841","10.1021/ja035267n","","","0.71073","MoKα","","0.1455","0.098","","","0.2552","0.2862","","","","","","1.155","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114130","30.797","0.0008","30.797","0.0008","25.8915","0.0013","90","","90","","90","","24556.9","1.5","193","2","193","2","","","","","","","","7","I 4","I 4","79","","","","- C356 H569 Ba2 Cl6 N99 O109 Si16 -","- C355.96 H551 Ba2 Cl6 N98.98 O109 Si16 -","- C711.92 H1102 Ba4 Cl12 N197.96 O218 Si32 -","2","0.25","","Xiaodong Shi; Katherine M. Mullaugh; James C. Fettinger; Yun Jiang; Steven A. Hofstadler; Jeffery T. Davis","Lipophilic G-Quadruplexes Are Self-Assembled Ion Pair Receptors, and the Bound Anion Modulates the Kinetic Stability of These Complexes","Journal of the American Chemical Society","2003","125","","10830","10841","10.1021/ja035267n","","","0.71073","MoKα","","0.0798","0.0595","","","0.1594","0.1816","","","","","","1.102","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114131","46.662","0.004","24.259","0.002","45.111","0.004","90","","93.139","0.002","90","","50988","8","193","2","193","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C351.3 H555.9 Ba2 Cl12.5 N95.4 O110.1 Si16 -","- C351.32 H543.74 Ba2 Cl12.54 N95.4 O110.1 Si16 -","- C1405.28 H2174.96 Ba8 Cl50.16 N381.6 O440.4 Si64 -","4","1","","Xiaodong Shi; Katherine M. Mullaugh; James C. Fettinger; Yun Jiang; Steven A. Hofstadler; Jeffery T. Davis","Lipophilic G-Quadruplexes Are Self-Assembled Ion Pair Receptors, and the Bound Anion Modulates the Kinetic Stability of These Complexes","Journal of the American Chemical Society","2003","125","","10830","10841","10.1021/ja035267n","","","0.71073","MoKα","","0.1011","0.0872","","","0.228","0.2369","","","","","","1.095","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114132","12.096","0.01","17.406","0.015","16.336","0.014","90","","92.669","0.015","90","","3436","5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","A mixture of 1,2-bis(3,5-dimethyl-2-thienyl)perfluorocyclopentene and 1,2-bis(2,5-dimethyl-3-thienyl)perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Masakazu Morimoto; Seiya Kobatake; Masahiro Irie","Multicolor Photochromism of Two- and Three-Component Diarylethene Crystals","Journal of the American Chemical Society","2003","125","","11080","11087","10.1021/ja035277o","","","0.71073","MoKα","","0.0695","0.0459","","","0.1221","0.1536","","","","","","1.097","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114133","17.136","0.016","8.778","0.008","11.208","0.011","90","","92.493","0.016","90","","1684","3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","A mixture of 1,2-bis(3,5-dimethyl-2-thienyl)perfluorocyclopentene and 1,2-bis(2,5-dimethyl-3-thienyl)perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17.008 H14 F6.003 S2 -","- C68.032 H56 F24.012 S8 -","4","1","","Masakazu Morimoto; Seiya Kobatake; Masahiro Irie","Multicolor Photochromism of Two- and Three-Component Diarylethene Crystals","Journal of the American Chemical Society","2003","125","","11080","11087","10.1021/ja035277o","","","0.71073","MoKα","","0.0492","0.0361","","","0.0928","0.1009","","","","","","1.053","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114134","5.5425","0.0002","21.2867","0.0009","9.4522","0.0005","90","","100.512","0.0015","90","","1096.47","0.08","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Wei-Shan Yu; Chung-Chih Cheng; Yi-Ming Cheng; Pei-Chi Wu; Yi-Hwa Song; Yun Chi; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer in Five-Membered Hydrogen-Bonding Systems: 2-Pyridyl Pyrazoles","Journal of the American Chemical Society","2003","125","","10800","10801","10.1021/ja035382y","","","0.71073","MoKα","","0.1217","0.0483","","","0.1103","0.1421","","","","","","1.001","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114135","5.7083","0.0001","10.4009","0.0002","18.7144","0.0003","90","","92.104","0.0008","90","","1110.35","0.03","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N3 -","- C14 H11 N3 -","- C56 H44 N12 -","4","1","","Wei-Shan Yu; Chung-Chih Cheng; Yi-Ming Cheng; Pei-Chi Wu; Yi-Hwa Song; Yun Chi; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer in Five-Membered Hydrogen-Bonding Systems: 2-Pyridyl Pyrazoles","Journal of the American Chemical Society","2003","125","","10800","10801","10.1021/ja035382y","","","0.71073","MoKα","","0.0877","0.048","","","0.1162","0.1456","","","","","","1.076","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114136","18.578","0.006","8.438","0.003","18.997","0.007","90","","90.194","0.006","90","","2978","1.8","150","0.1","150","0.1","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C26 H43 N4 O13.5 -","- C26 H43 N4 O13.5 -","- C104 H172 N16 O54 -","4","2","","Renate M. van Well; Luciana Marinelli; Cornelis Altona; Kees Erkelens; Gregg Siegal; Mark van Raaij; Antonio L. Llamas-Saiz; Horst Kessler; Ettore Novellino; Antonio Lavecchia; Jacques H. van Boom; Mark Overhand","Conformational Analysis of Furanoid ε-Sugar Amino Acid Containing Cyclic Peptides by NMR Spectroscopy, Molecular Dynamics Simulation, and X-ray Crystallography: Evidence for a Novel Turn Structure","Journal of the American Chemical Society","2003","125","","10822","10829","10.1021/ja035461+","","x-ray","0.71073","MoKα","","0.1664","0.1433","","","0.3781","0.3947","","","","","","1.386","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114137","4.356","0.002","11.575","0.003","20.09","0.004","91.71","0.03","92.9","0.03","90.04","0.03","1011.2","0.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C12.33 H8.67 Cl0.67 Cr0.33 Mn0.33 O4 S4 Se4 -","- C10 H8 S4 Se4 -","- C20 H16 S8 Se8 -","2","1","","Antonio Alberola; Eugenio Coronado; José R. Galán-Mascarós; Carlos Giménez-Saiz; Carlos J. Gómez-García","A Molecular Metal Ferromagnet from the Organic Donor Bis(ethylenedithio)tetraselenafulvalene and Bimetallic Oxalate Complexes","Journal of the American Chemical Society","2003","125","","10774","10775","10.1021/ja035772k","","","0.71069","MoKα","","0.1787","0.106","","","0.2533","0.3193","","","","","","1.084","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114138","12.155","0.006","22.181","0.011","18.561","0.01","90","","108.422","0.006","90","","4748","4","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9-silaanthracene dimer","","","- C86 H150 Si14 -","- C86 H150 Si14 -","- C172 H300 Si28 -","2","0.5","","Akihiro Shinohara; Nobuhiro Takeda; Norihiro Tokitoh","Photochemical and Thermal Reactions of a Kinetically Stabilized 9-Silaanthracene: The First Spectroscopic Observation of a 9,10-Dewar-9-silaanthracene Isomer","Journal of the American Chemical Society","2003","125","","10804","10805","10.1021/ja036106m","","","0.7107","MoKα","","0.0987","0.0808","","","0.1634","0.1712","","","","","","1.223","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114139","7.306","0.0015","16.133","0.003","7.094","0.0014","90","","90","","90","","836.2","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","beta-et-1","","","- C2 H4 Al Cl4 Cu -","- C2 H4 Al Cl4 Cu -","- C8 H16 Al4 Cl16 Cu4 -","4","1","","Roger M. Sullivan; Haiming Liu; D. Steve Smith; Jonathan C. Hanson; Derek Osterhout; Michael Ciraolo; Clare P. Grey; James D. Martin","Sorptive Reconstruction of the CuAlCl4 Framework upon Reversible Ethylene Binding","Journal of the American Chemical Society","2003","125","","11065","11079","10.1021/ja036172o","","","0.9376","","","0.0376","0.0375","","0.1421","0.1414","","","","1.486","1.482","1.482","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114140","7.1274","0.0005","12.509","0.0012","11.997","0.003","90","","91.19","0.012","90","","1069.4","0.3","143","","143","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C4 H8 Al Cl4 Cu -","- C4 H8 Al Cl4 Cu -","- C16 H32 Al4 Cl16 Cu4 -","4","2","","Roger M. Sullivan; Haiming Liu; D. Steve Smith; Jonathan C. Hanson; Derek Osterhout; Michael Ciraolo; Clare P. Grey; James D. Martin","Sorptive Reconstruction of the CuAlCl4 Framework upon Reversible Ethylene Binding","Journal of the American Chemical Society","2003","125","","11065","11079","10.1021/ja036172o","","","0.71073","MolybdenumKα","","0.035","0.035","","0.04","0.04","","","","","1.21","1.21","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114141","22.9273","0.0014","12.145","0.0007","14.1744","0.0008","90","","100.769","0.001","90","","3877.4","0.4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H31 N Si Ti -","- C19 H27.949 N Si Ti -","- C152 H223.592 N8 Si8 Ti8 -","8","1","","Hongbo Li; Liting Li; Tobin J. Marks; Louise Liable-Sands; Arnold L. Rheingold","Catalyst/Cocatalyst Nuclearity Effects in Single-Site Olefin Polymerization. Significantly Enhanced 1-Octene and Isobutene Comonomer Enchainment in Ethylene Polymerizations Mediated by Binuclear Catalysts and Cocatalysts","Journal of the American Chemical Society","2003","125","","10788","10789","10.1021/ja036289c","","","0.71073","MoKα","","0.0534","0.0396","","","0.1041","0.11","","","","","","0.97","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114142","11.0774","0.0008","12.8788","0.0009","16.3857","0.0012","90.261","0.001","97.991","0.001","110.68","0.001","2162.2","0.3","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H39 B F15 N Si Ti -","- C44 H39 B F15 N Si Ti -","- C88 H78 B2 F30 N2 Si2 Ti2 -","2","1","","Hongbo Li; Liting Li; Tobin J. Marks; Louise Liable-Sands; Arnold L. Rheingold","Catalyst/Cocatalyst Nuclearity Effects in Single-Site Olefin Polymerization. Significantly Enhanced 1-Octene and Isobutene Comonomer Enchainment in Ethylene Polymerizations Mediated by Binuclear Catalysts and Cocatalysts","Journal of the American Chemical Society","2003","125","","10788","10789","10.1021/ja036289c","","","0.71073","MoKα","","0.0794","0.0549","","","0.1416","0.1556","","","","","","0.961","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114143","8.3171","0.0002","9.8177","0.0002","13.8667","0.0004","83.5443","0.001","83.2403","0.0011","83.5394","0.0008","1111.61","0.05","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H68 N6 Si2 Ti2 -","- C40 H68 N6 Si2 Ti2 -","- C40 H68 N6 Si2 Ti2 -","1","0.5","","Hongbo Li; Liting Li; Tobin J. Marks; Louise Liable-Sands; Arnold L. Rheingold","Catalyst/Cocatalyst Nuclearity Effects in Single-Site Olefin Polymerization. Significantly Enhanced 1-Octene and Isobutene Comonomer Enchainment in Ethylene Polymerizations Mediated by Binuclear Catalysts and Cocatalysts","Journal of the American Chemical Society","2003","125","","10788","10789","10.1021/ja036289c","","","0.71073","MoKα","","0.1142","0.0752","","0.2631","0.1875","","","","1.308","1.292","1.292","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114144","11.7243","0.0011","14.5838","0.0014","15.0066","0.0014","80.981","0.002","85.696","0.002","71.417","0.002","2401.2","0.4","96","2","96","2","","","","","","","","8","P -1","-P 1","2","","","","- C86 H170 B2 Fe2 N2 Na O8 P6 -","- C86 H170 B2 Fe2 N2 Na O8 P6 -","- C86 H170 B2 Fe2 N2 Na O8 P6 -","1","0.5","","Theodore A. Betley; Jonas C. Peters","Dinitrogen Chemistry from Trigonally Coordinated Iron and Cobalt Platforms","Journal of the American Chemical Society","2003","125","","10782","10783","10.1021/ja036687f","","","0.71073","MoKα","","0.1338","0.0609","","","0.1131","0.124","","","","","","1.553","","","","has coordinates,has disorder","286259","2023-09-07","06:04:33",""
"4114145","11.6846","0.001","14.7047","0.0013","15.07","0.0013","80.204","0.002","85.159","0.002","70.543","0.002","2404.8","0.4","96","2","96","2","","","","","","","","8","P -1","-P 1","2","","","","- C86 H170 B2 Co2 N2 Na O8 P6 -","- C86 H170 B2 Co2 N2 Na O8 P6 -","- C86 H170 B2 Co2 N2 Na O8 P6 -","1","0.5","","Theodore A. Betley; Jonas C. Peters","Dinitrogen Chemistry from Trigonally Coordinated Iron and Cobalt Platforms","Journal of the American Chemical Society","2003","125","","10782","10783","10.1021/ja036687f","","","0.71073","MoKα","","0.1073","0.0595","","","0.1162","0.1235","","","","","","1.779","","","","has coordinates,has disorder","286259","2023-09-07","06:04:36",""
"4114146","12.5232","0.0009","16.2311","0.0011","18.8942","0.0013","90","","101.948","0.001","90","","3757.3","0.5","96","2","96","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H68 B Fe N P3 -","- C37 H68 B Fe N P3 -","- C148 H272 B4 Fe4 N4 P12 -","4","1","","Theodore A. Betley; Jonas C. Peters","Dinitrogen Chemistry from Trigonally Coordinated Iron and Cobalt Platforms","Journal of the American Chemical Society","2003","125","","10782","10783","10.1021/ja036687f","","","0.71073","MoKα","","0.0795","0.0495","","","0.0964","0.1018","","","","","","1.805","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114147","9.8016","0.0009","14.8639","0.0013","28.355","0.003","90","","99.692","0.002","90","","4072.1","0.7","96","2","96","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H68 B Co N P3 -","- C41 H68 B Co N P3 -","- C164 H272 B4 Co4 N4 P12 -","4","1","","Theodore A. Betley; Jonas C. Peters","Dinitrogen Chemistry from Trigonally Coordinated Iron and Cobalt Platforms","Journal of the American Chemical Society","2003","125","","10782","10783","10.1021/ja036687f","","","0.71073","MoKα","","0.068","0.0446","","","0.0838","0.0871","","","","","","1.62","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114148","22.4373","0.0008","22.4373","0.0008","31.7568","0.0017","90","","90","","90","","15987.4","1.2","96","2","96","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C26.67 B0.76 Co0.76 Mg0.38 N1.52 O1.52 P2.29 -","- C70 B2 Co2 Mg N4 O4 P6 -","- C560 B16 Co16 Mg8 N32 O32 P48 -","8","0.5","","Theodore A. Betley; Jonas C. Peters","Dinitrogen Chemistry from Trigonally Coordinated Iron and Cobalt Platforms","Journal of the American Chemical Society","2003","125","","10782","10783","10.1021/ja036687f","","","0.71073","MoKα","","0.2298","0.1044","","","0.1538","0.1681","","","","","","1.591","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114149","13.4823","0.0004","16.3546","0.0005","20.0818","0.0006","65.993","0.002","84.086","0.002","86.355","0.002","4022.3","0.2","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","[Yb3(thf){Me3SiNCPhCHCPhNSiMe3}3]","","","- C67 H95 N6 O Si6 Yb3 -","- C67 H95 N6 O Si6 Yb3 -","- C134 H190 N12 O2 Si12 Yb6 -","2","1","","Odile Eisenstein; Peter B. Hitchcock; Alexei V. Khvostov; Michael F. Lappert; Laurent Maron; Lionel Perrin; Andrey V. Protchenko","Mono-, Di-, and Trianionic β-Diketiminato Ligands: A Computational Study and the Synthesis and Structure of [(YbL)3(THF)], L = [{N(SiMe3)C(Ph)}2CH]","Journal of the American Chemical Society","2003","125","","10790","10791","10.1021/ja036902s","","x-ray","0.71073","MoKα","","0.0546","0.0388","","","0.1","0.1091","","","","","","1.031","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114150","32.314","0.007","11.193","0.002","11.312","0.002","90","","108.345","0.006","90","","3883.5","1.3","213","2","213","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C28 H19 F9 N3 O14 S3 Sc -","- C28 H19 F9 N3 O14 S3 Sc -","- C112 H76 F36 N12 O56 S12 Sc4 -","4","1","","David A. Evans; Karl A. Scheidt; Keith R. Fandrick; Hon Wai Lam; Jimmy Wu","Enantioselective Indole Friedel-Crafts Alkylations Catalyzed by Bis(oxazolinyl)pyridine-Scandium(III) Triflate Complexes","Journal of the American Chemical Society","2003","125","","10780","10781","10.1021/ja036985c","","","0.71073","MoKα","","0.0779","0.0756","","","0.204","0.2117","","","","","","1.096","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114151","10.0026","0.0006","16.3913","0.0012","21.9296","0.0016","78.662","0.009","76.825","0.008","76.132","0.008","3360.2","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Tripotassium [bis-{2,4-bis-((1'-methyl-1'-phenyl)methyl) -6-(N,N-bis-(carboxymethyl)-aminomethyl)phenolato} -bis-(ν-carbonato)potassium(I)diiron(III)] 6(water) 2(ethanol) solvate","","- C64 H84 Fe2 K4 N2 O24 -","- C64 H60 Fe2 K4 N2 O24 -","- C128 H120 Fe4 K8 N4 O48 -","2","1","","Wolfgang Schmitt; Christopher E. Anson; Jonathan P. Hill; Annie K. Powell","Cation-π Binding of an Alkali Metal Ion by Pendant α,α-Dimethylbenzyl Groups within a Dinuclear Iron(III) Structural Unit","Journal of the American Chemical Society","2003","125","","11142","11143","10.1021/ja029409+","","","0.71073","MoKα","","0.1623","0.0637","","","0.1216","0.1443","","","","","","0.73","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114152","11.9224","0.0016","12.0853","0.0016","16.687","0.002","90","","103.489","0.002","90","","2338","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","02260","","","- C22 H40 N2 O Zn -","- C22 H40 N2 O Zn -","- C88 H160 N8 O4 Zn4 -","4","1","","Charlotte K. Williams; Laurie E. Breyfogle; Sun Kyung Choi; Wonwoo Nam; Victor G. Young; Marc A. Hillmyer; William B. Tolman","A Highly Active Zinc Catalyst for the Controlled Polymerization of Lactide","Journal of the American Chemical Society","2003","125","","11350","11359","10.1021/ja0359512","","","0.71073","MoKα","","0.0752","0.0467","","","0.1142","0.1233","","","","","","0.99","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4114153","38.339","0.003","17.0503","0.0015","17.3185","0.0015","90","","90","","90","","11321","1.7","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H80 N4 O4 Zn2 -","- C44 H80 N4 O4 Zn2 -","- C352 H640 N32 O32 Zn16 -","8","1","","Charlotte K. Williams; Laurie E. Breyfogle; Sun Kyung Choi; Wonwoo Nam; Victor G. Young; Marc A. Hillmyer; William B. Tolman","A Highly Active Zinc Catalyst for the Controlled Polymerization of Lactide","Journal of the American Chemical Society","2003","125","","11350","11359","10.1021/ja0359512","","","0.71073","MoKα","","0.0964","0.0514","","","0.1182","0.1318","","","","","","0.947","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114154","13.1013","0.0014","14.4428","0.0016","16.9894","0.0019","77.984","0.002","67.962","0.001","89.536","0.002","2905.8","0.6","98","2","98","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H65 B Co O P3 Si -","- C72 H65 B Co O P3 Si -","- C144 H130 B2 Co2 O2 P6 Si2 -","2","1","","David M. Jenkins; Jonas C. Peters","Solution and Solid-State Spin-Crossover Behavior in a Pseudotetrahedral d7 Ion","Journal of the American Chemical Society","2003","125","","11162","11163","10.1021/ja036198f","","","0.71073","MoKα","","0.0456","0.0336","","","0.0673","0.0698","","","","","","1.486","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4114155","13.4295","0.0015","14.5619","0.0017","17.357","0.002","78.183","0.002","68.286","0.002","88.981","0.002","3080.4","0.6","295","","295","","","","","","","","","7","P -1","-P 1","2","BP3CoOSiPh3 295K","","","- C72 H65 B Co O P3 Si -","- C72 H65 B Co O P3 Si -","- C144 H130 B2 Co2 O2 P6 Si2 -","2","1","","David M. Jenkins; Jonas C. Peters","Solution and Solid-State Spin-Crossover Behavior in a Pseudotetrahedral d7 Ion","Journal of the American Chemical Society","2003","125","","11162","11163","10.1021/ja036198f","","","0.71073","MoKα","","0.1288","0.0534","","","0.0738","0.0854","","","","","","1.063","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114156","8.8324","0.0007","11.2524","0.001","16.4861","0.0015","91.53","0.002","95.381","0.002","111.921","0.002","1509.9","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H32 Ga2 N2 -","- C35 H32 Ga2 N2 -","- C70 H64 Ga4 N4 -","2","1","","Chatu T. Sirimanne; John E. Knox; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter","Synthesis, Structure, Bridge-Terminal Exchange Kinetics, and Molecular Orbital Calculations of Pyrazolate-Bridged Digallium Complexes Containing Bridging Phenyl Groups","Journal of the American Chemical Society","2003","125","","11152","11153","10.1021/ja036256x","","","0.71073","MoKα","","0.0401","0.0286","","","0.0783","0.0822","","","","","","1.003","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114157","14.82","0.003","17.064","0.005","25.011","0.005","99.03","0.03","106.56","0.02","108.06","0.02","5551","3","295","2","298","","","","","","","","?","9","P -1","-P 1","2","","","","- C10 H50 K9 N4 Na4 O85 P2 Ru W19 -","- C10 K9 N4 Na4 O85 P2 Ru W19 -","- C20 K18 N8 Na8 O170 P4 Ru2 W38 -","2","1","","Vincent Artero; Anna Proust; Patrick Herson; Françoise Villain; Christophe Cartier dit Moulin; Pierre Gouzerh","Synthesis and Characterization of the First Carbene Derivative of a Polyoxometalate","Journal of the American Chemical Society","2003","125","","11156","11157","10.1021/ja036257p","","","0.71069","MoKα","","","0.067","","","0.0792","","","","","1.0738","1.0738","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4114158","9.389","0.001","10.8","0.001","16.087","0.002","90","","90","","90","","1631.2","0.3","134.2","","134.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H29 N O2 S -","- C13 H29 N O2 S -","- C52 H116 N4 O8 S4 -","4","1","","Takuya Kochi; Tony P. Tang; Jonathan A. Ellman","Development and Application of a New General Method for the Asymmetric Synthesis of syn- and anti-1,3-Amino Alcohols","Journal of the American Chemical Society","2003","125","","11276","11282","10.1021/ja0363462","","","0.7107","MoKα","","0.108","0.0522","","","0.055","0.0625","","","","","","1.712","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114159","12.5069","0.0008","12.5069","0.0008","26.069","0.002","90","","90","","120","","3531.5","0.4","213","2","213","2","","","","","","","","5","P 65","P 65","170","","","","- C24 H23 F3 N2 O4 -","- C24 H23 F3 N2 O4 -","- C144 H138 F18 N12 O24 -","6","1","","Mark S. Taylor; Eric N. Jacobsen","Enantioselective Michael Additions to α,β-Unsaturated Imides Catalyzed by a Salen-Al Complex","Journal of the American Chemical Society","2003","125","","11204","11205","10.1021/ja037177o","","","0.71073","MoKα","","0.2359","0.0996","","","0.2532","0.3255","","","","","","0.99","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114160","11.3859","0.0013","9.2569","0.0013","17.701","0.003","90","","102.626","0.002","90","","1820.5","0.5","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Mark S. Taylor; Eric N. Jacobsen","Enantioselective Michael Additions to α,β-Unsaturated Imides Catalyzed by a Salen-Al Complex","Journal of the American Chemical Society","2003","125","","11204","11205","10.1021/ja037177o","","","0.71073","MoKα","","0.0717","0.0635","","","0.1329","0.1368","","","","","","1.236","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114161","26.8378","0.0015","7.2109","0.0004","34.9225","0.0018","90","","90","","90","","6758.4","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H24 Br2 N4 Ni -","- C48 H24 Br2 N4 Ni -","- C384 H192 Br16 N32 Ni8 -","8","1","","Mahendra Nath; John C. Huffman; Jeffrey M. Zaleski","Ambient Temperature Activation of Haloporphyrinic-Enediynes: Electronic Contributions to Bergman Cycloaromatization","Journal of the American Chemical Society","2003","125","","11484","11485","10.1021/ja0302782","","","0.71073","MoKα","","0.1584","0.0539","","","0.0778","0.0953","","","","","","0.792","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114162","12.973","0.0007","19.9685","0.0013","35.238","0.002","90","","90","","90","","9128.5","0.9","120","2","120","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C60 H38 I2 N4 Ni -","- C58.56 H25 I2 N4 Ni -","- C468.48 H200 I16 N32 Ni8 -","8","1","","Mahendra Nath; John C. Huffman; Jeffrey M. Zaleski","Ambient Temperature Activation of Haloporphyrinic-Enediynes: Electronic Contributions to Bergman Cycloaromatization","Journal of the American Chemical Society","2003","125","","11484","11485","10.1021/ja0302782","","","0.71073","MoKα","","0.2307","0.0623","","","0.0993","0.1321","","","","","","0.748","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114163","13.044","0.016","19.26","0.02","35.51","0.05","90","","90","","90","","8921","19","128","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C50 H28 Br2 Cl6 N4 Ni -","- C48.5 H27 Br2 Cl4.32 N4 Ni -","- C388 H216 Br16 Cl34.56 N32 Ni8 -","8","1","","Mahendra Nath; John C. Huffman; Jeffrey M. Zaleski","Ambient Temperature Activation of Haloporphyrinic-Enediynes: Electronic Contributions to Bergman Cycloaromatization","Journal of the American Chemical Society","2003","125","","11484","11485","10.1021/ja0302782","","","0.71073","MoKα","","0.3019","0.1168","","","0.271","0.3597","","","","","","0.984","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114164","7.3867","0.0006","27.458","0.002","36.005","0.003","90","","95.371","0.005","90","","7270.6","1","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C105 H59 Cl2 N8 Ni2 -","- C50.25 H26.925 Cl N4 Ni -","- C402 H215.4 Cl8 N32 Ni8 -","8","2","","Mahendra Nath; John C. Huffman; Jeffrey M. Zaleski","Ambient Temperature Activation of Haloporphyrinic-Enediynes: Electronic Contributions to Bergman Cycloaromatization","Journal of the American Chemical Society","2003","125","","11484","11485","10.1021/ja0302782","","","0.71073","MoKα","","0.1022","0.0656","","","0.191","0.2123","","","","","","1.07","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114165","8.0215","0.0001","8.0215","0.0001","12.2085","0.0002","90","","90","","90","","785.549","0.019","123","2","123","2","","","","","","","","5","I -4","I -4","82","","Tetraethylammoniumchloride Carbon Tetrabromide Molecular Complex 1 : 1","","- C9 H20 Br4 Cl N -","- C9 H20 Br4 Cl N -","- C18 H40 Br8 Cl2 N2 -","2","0.25","","Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi","The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons","Journal of the American Chemical Society","2003","125","","11597","11606","10.1021/ja030299w","","","0.71073","MoKα","","0.0413","0.0365","","0.0846","0.0825","","","","1.015","1.04","1.04","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114166","8.0992","0.0003","8.0992","0.0003","12.4173","0.0005","90","","90","","90","","814.54","0.05","123","2","123","2","","","","","","","","4","I -4","I -4","82","","Tetraethylammoniumbromide Carbon Tetrabromide Molecular Complex 1 : 1","","- C9 H20 Br5 N -","- C9 H20 Br5 N -","- C18 H40 Br10 N2 -","2","0.25","","Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi","The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons","Journal of the American Chemical Society","2003","125","","11597","11606","10.1021/ja030299w","","","0.71073","MoKα","","0.0269","0.0261","","0.0645","0.0642","","","","1.171","1.174","1.174","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114167","8.2859","0.0001","8.2859","0.0001","12.9194","0.0001","90","","90","","90","","886.996","0.017","123","2","123","2","","","","","","","","5","I -4","I -4","82","","Tetraethylammoniumiodide Carbon Tetrabromide Molecular Complex 1 : 1","","- C9 H20 Br4 I N -","- C9 H20 Br4 I N -","- C18 H40 Br8 I2 N2 -","2","0.25","","Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi","The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons","Journal of the American Chemical Society","2003","125","","11597","11606","10.1021/ja030299w","","","0.71073","MoKα","","0.0454","0.0414","","0.0972","0.0922","","","","1.26","1.277","1.277","","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114168","12.185","0.0003","12.185","0.0003","12.185","0.0003","90","","90","","90","","1809.16","0.08","123","2","123","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Carbon tetrabromide/Tetramethylammonium bromide Molecular complex 2:1","","- C6 H12 Br9 N -","- C7.76 H13.44 Br9 N -","- C31.04 H53.76 Br36 N4 -","4","0.0208333","","Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi","The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons","Journal of the American Chemical Society","2003","125","","11597","11606","10.1021/ja030299w","","","0.71073","MoKα","","0.0181","0.0169","","0.0444","0.0427","","","","0.786","0.789","0.789","","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114169","12.398","0.0014","12.398","0.0014","12.398","0.0014","90","","90","","90","","1905.7","0.4","123","2","123","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Carbon tetrabromide/Tetramethylammonium iodide Molecular complex 2:1","","- C6 H12 Br8 I N -","- C7.76 H13.44 Br8 I N -","- C31.04 H53.76 Br32 I4 N4 -","4","0.0208333","","Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi","The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons","Journal of the American Chemical Society","2003","125","","11597","11606","10.1021/ja030299w","","","0.71073","MoKα","","0.0205","0.0201","","0.0528","0.0527","","","","1.162","1.18","1.18","","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114170","8.4857","0.0001","18.7993","0.0003","13.0299","0.0003","90","","99.992","0.001","90","","2047.07","0.06","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetrapropylammoniumbromide Carbon Tetrabromide Molecular Complex 1 : 1","","- C13 H28 Br5 N -","- C13 H28 Br5 N -","- C52 H112 Br20 N4 -","4","1","","Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi","The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons","Journal of the American Chemical Society","2003","125","","11597","11606","10.1021/ja030299w","","","0.71073","MoKα","","0.087","0.0459","","0.0894","0.0747","","","","1.134","1.146","1.146","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114171","8.2859","0.0001","22.4833","0.0004","8.3652","0.0001","90","","114.661","0.001","90","","1416.25","0.04","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetrabutylammoniumbromide Carbon Tetrabromide Molecular Complex 1 : 1 Aceton solvate","","- C20 H42 Br5 N O -","- C20 H42 Br5 N O -","- C40 H84 Br10 N2 O2 -","2","1","","Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi","The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons","Journal of the American Chemical Society","2003","125","","11597","11606","10.1021/ja030299w","","","0.71073","MoKα","","0.0575","0.0438","","0.1038","0.0945","","","","1.113","1.104","1.104","","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114172","7.6795","0.0001","12.9359","0.0001","16.5349","0.0001","90","","101.481","0.001","90","","1609.73","0.03","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1-Aza-8-azoniabicyclo(5.4.0)undec-7-ene bromide)/(carbon tetrabromide) molecular complex 1:1","","- C10 H17 Br5 N2 -","- C10 H17 Br5 N2 -","- C40 H68 Br20 N8 -","4","1","","Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi","The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons","Journal of the American Chemical Society","2003","125","","11597","11606","10.1021/ja030299w","","","0.71073","MoKα","","0.0486","0.0322","","0.0717","0.0652","","","","1.046","1.064","1.064","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114173","21.086","0.002","11.8827","0.001","20.674","0.002","90","","111.38","0.002","90","","4823.6","0.8","123","2","123","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Carbon Tetrabromide","","- C Br4 -","- C Br4 -","- C32 Br128 -","32","4","","Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi","The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons","Journal of the American Chemical Society","2003","125","","11597","11606","10.1021/ja030299w","","","0.71073","MoKα","","0.0888","0.0431","","0.1239","0.0959","","","","1.008","1.07","1.07","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114174","14.21","0.0009","14.417","0.0011","36.219","0.002","88.679","0.004","83.103","0.004","90.055","0.004","7364.3","0.8","120","","120","","","","","","","","","6","P -1","-P 1","2","","2-Phenyl-1,4,5-tris(tri-tert-butylsilyl)-1,4,5-trigermabicyclo [2.1.0]pent-2-en-5-ylium tetrakis(pentafluorophenyl)borate","","- C68 H87 B F20 Ge3 Si3 -","- C68 H87 B F20 Ge3 Si3 -","- C272 H348 B4 F80 Ge12 Si12 -","4","2","","Yutaka Ishida; Akira Sekiguchi; Yoshio Kabe","1,4,5-Trigermabicyclo[2.1.0]pent-2-en-5-ylium: The Isolable Bishomocyclopropenylium Ion Containing a Heavier Group 14 Element","Journal of the American Chemical Society","2003","125","","11468","11469","10.1021/ja030327a","","","0.7107","MoKα","","0.1465","0.0802","","","0.1901","0.2235","","","","","","1.034","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114175","5.7781","0.0002","15.209","0.0004","20.4982","0.0007","90","","90","","90","","1801.36","0.1","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Ryan R. Huddleston; Hye-Young Jang; Michael J. Krische","First Catalytic Reductive Coupling of 1,3-Diynes to Carbonyl Partners: A New Regio- and Enantioselective C-C Bond Forming Hydrogenation","Journal of the American Chemical Society","2003","125","","11488","11489","10.1021/ja030415v","","","0.71073","MoKα","","0.1221","0.0657","","","0.0966","0.1175","","","","","","1.143","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114176","15.0817","0.0001","18.3646","0.0001","16.995","0.0002","90","","91.718","0.001","90","","4704.98","0.07","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H46 Fe N O P2 S4 -","- C52 H46 Fe N O P2 S4 -","- C208 H184 Fe4 N4 O4 P8 S16 -","4","1","","Chien-Ming Lee; Chung-Hung Hsieh; Amitava Dutta; Gene-Hsiang Lee; Wen-Feng Liaw","Oxygen Binding to Sulfur in Nitrosylated Iron-Thiolate Complexes: Relevance to the Fe-Containing Nitrile Hydratases","Journal of the American Chemical Society","2003","125","","11492","11493","10.1021/ja035292t","","","0.71073","MoKα","","0.0893","0.0495","","0.1296","0.1086","","","","1.005","1.076","1.076","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114177","10.05","0.002","14.599","0.003","17.125","0.003","109.24","0.02","94.64","0.02","95.99","0.02","2341.4","0.9","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H40 Cl2 Fe N2 O P2 S4 -","- C49 H40 Cl2 Fe N2 O P2 S4 -","- C98 H80 Cl4 Fe2 N4 O2 P4 S8 -","2","1","","Chien-Ming Lee; Chung-Hung Hsieh; Amitava Dutta; Gene-Hsiang Lee; Wen-Feng Liaw","Oxygen Binding to Sulfur in Nitrosylated Iron-Thiolate Complexes: Relevance to the Fe-Containing Nitrile Hydratases","Journal of the American Chemical Society","2003","125","","11492","11493","10.1021/ja035292t","","","0.71073","MoKα","","0.0574","0.0363","","0.1054","0.0971","","","","1.063","1.169","1.169","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114178","10.7699","0.0001","14.0136","0.0001","16.5901","0.0001","81.6595","0.0003","76.9557","0.0003","82.2321","0.0003","2399.79","0.03","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C52 H46 Fe N2 O4 P2 S4 -","- C52 H46 Fe N2 O4 P2 S4 -","- C104 H92 Fe2 N4 O8 P4 S8 -","2","1","","Chien-Ming Lee; Chung-Hung Hsieh; Amitava Dutta; Gene-Hsiang Lee; Wen-Feng Liaw","Oxygen Binding to Sulfur in Nitrosylated Iron-Thiolate Complexes: Relevance to the Fe-Containing Nitrile Hydratases","Journal of the American Chemical Society","2003","125","","11492","11493","10.1021/ja035292t","","","0.71073","MoKα","","0.0782","0.0544","","","0.1486","0.1659","","","","","","1.052","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114179","13.2247","0.0002","13.8868","0.0002","15.9278","0.0003","89.5086","0.0006","69.3227","0.0005","85.1561","0.0007","2726.21","0.08","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C102 H88 Cl12 Fe2 N4 O10 P4 S8 -","- C102 H88 Cl12 Fe2 N4 O10 P4 S8 -","- C102 H88 Cl12 Fe2 N4 O10 P4 S8 -","1","0.5","","Chien-Ming Lee; Chung-Hung Hsieh; Amitava Dutta; Gene-Hsiang Lee; Wen-Feng Liaw","Oxygen Binding to Sulfur in Nitrosylated Iron-Thiolate Complexes: Relevance to the Fe-Containing Nitrile Hydratases","Journal of the American Chemical Society","2003","125","","11492","11493","10.1021/ja035292t","","","0.71073","MoKα","","0.1046","0.054","","","0.1216","0.1566","","","","","","1.085","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114180","5.1518","0.0004","36.487","0.003","7.9179","0.0006","90","","99.987","0.01","90","","1465.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","EDT-TTF-(CONH2)2","","","- C10 H8 N2 O2 S6 -","- C10 H4 N2 O2 S6 -","- C40 H16 N8 O8 S24 -","4","1","","Stéphane A. Baudron; Narcis Avarvari; Patrick Batail; Claude Coulon; Rodolphe Clérac; Enric Canadell; Pascale Auban-Senzier","Singular Crystalline β'-Layered Topologies Directed by Ribbons of Self-Complementary Amide...Amide Ring Motifs in [EDT-TTF-(CONH2)2]2X (X = HSO4-, ClO4-, ReO4-, AsF6-): Coupled Activation of Ribbon Curvature, Electron Interactions, and Magnetic Susceptibility","Journal of the American Chemical Society","2003","125","","11583","11590","10.1021/ja0356129","","","0.71073","MoKα","","0.0921","0.0354","","","0.0603","0.0684","","","","","","0.686","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114181","15.37","0.0012","12.3553","0.0013","16.8756","0.0013","90","","98.138","0.009","90","","3172.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[EDT-TTF-(CONH2)2]2 ClO4","","","- C20 H16 Cl N4 O8 S12 -","- C20 H16 Cl N4 O8 S12 -","- C80 H64 Cl4 N16 O32 S48 -","4","1","","Stéphane A. Baudron; Narcis Avarvari; Patrick Batail; Claude Coulon; Rodolphe Clérac; Enric Canadell; Pascale Auban-Senzier","Singular Crystalline β'-Layered Topologies Directed by Ribbons of Self-Complementary Amide...Amide Ring Motifs in [EDT-TTF-(CONH2)2]2X (X = HSO4-, ClO4-, ReO4-, AsF6-): Coupled Activation of Ribbon Curvature, Electron Interactions, and Magnetic Susceptibility","Journal of the American Chemical Society","2003","125","","11583","11590","10.1021/ja0356129","","","0.71073","MoKα","","0.0914","0.0373","","","0.0672","0.0757","","","","","","0.694","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114182","15.1947","0.0009","12.2388","0.0009","17.1149","0.0011","90","","99.799","0.007","90","","3136.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(EDT-TTF-(CONH2)2)2 HSO4","","","- C20 H17 N4 O8 S13 -","- C20 H16 N4 O8 S13 -","- C80 H64 N16 O32 S52 -","4","1","","Stéphane A. Baudron; Narcis Avarvari; Patrick Batail; Claude Coulon; Rodolphe Clérac; Enric Canadell; Pascale Auban-Senzier","Singular Crystalline β'-Layered Topologies Directed by Ribbons of Self-Complementary Amide...Amide Ring Motifs in [EDT-TTF-(CONH2)2]2X (X = HSO4-, ClO4-, ReO4-, AsF6-): Coupled Activation of Ribbon Curvature, Electron Interactions, and Magnetic Susceptibility","Journal of the American Chemical Society","2003","125","","11583","11590","10.1021/ja0356129","","","0.71073","MoKα","","0.0694","0.0346","","","0.0593","0.0641","","","","","","0.793","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114183","8.9713","0.001","12.4561","0.0014","12.7006","0.0015","114.258","0.013","105.477","0.014","92.126","0.014","1229.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(EDT-TTF-(CONH2))2 (Mo6Cl14)","","","- C20 H16 Cl14 Mo6 N4 O4 S12 -","- C20 H16 Cl14 Mo6 N4 O4 S12 -","- C20 H16 Cl14 Mo6 N4 O4 S12 -","1","0.5","","Stéphane A. Baudron; Narcis Avarvari; Patrick Batail; Claude Coulon; Rodolphe Clérac; Enric Canadell; Pascale Auban-Senzier","Singular Crystalline β'-Layered Topologies Directed by Ribbons of Self-Complementary Amide...Amide Ring Motifs in [EDT-TTF-(CONH2)2]2X (X = HSO4-, ClO4-, ReO4-, AsF6-): Coupled Activation of Ribbon Curvature, Electron Interactions, and Magnetic Susceptibility","Journal of the American Chemical Society","2003","125","","11583","11590","10.1021/ja0356129","","","0.71073","MoKα","","0.0373","0.0224","","","0.0462","0.0484","","","","","","0.881","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114184","5.833","0.0016","7.4593","0.0019","9.197","0.003","104.32","0.03","98.85","0.03","105.09","0.03","364","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H4 N2 O3 S2 -","- C5 H4 N2 O3 S2 -","- C10 H8 N4 O6 S4 -","2","1","","Stéphane A. Baudron; Narcis Avarvari; Patrick Batail; Claude Coulon; Rodolphe Clérac; Enric Canadell; Pascale Auban-Senzier","Singular Crystalline β'-Layered Topologies Directed by Ribbons of Self-Complementary Amide...Amide Ring Motifs in [EDT-TTF-(CONH2)2]2X (X = HSO4-, ClO4-, ReO4-, AsF6-): Coupled Activation of Ribbon Curvature, Electron Interactions, and Magnetic Susceptibility","Journal of the American Chemical Society","2003","125","","11583","11590","10.1021/ja0356129","","","0.71073","MoKα","","0.0383","0.0265","","","0.0618","0.0658","","","","","","0.951","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114185","27.411","0.002","14.094","0.0008","15.5937","0.0009","90","","104.125","0.002","90","","5842.2","0.6","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[Ar'GeCl]2.toluene","","","- C67 H82 Cl2 Ge2 -","- C67 H83 Cl2 Ge2 -","- C268 H332 Cl8 Ge8 -","4","0.5","","Lihung Pu; Andrew D. Phillips; Anne F. Richards; Matthias Stender; Richard S. Simons; Marilyn M. Olmstead; Philip P. Power","Germanium and Tin Analogues of Alkynes and Their Reduction Products","Journal of the American Chemical Society","2003","125","","11626","11636","10.1021/ja035711m","","","0.71073","MoKα","","0.0482","0.0356","","","0.0872","0.0957","","","","","","1.038","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114186","13.3297","0.0007","14.1189","0.0009","14.4249","0.001","90","","97.247","0.003","90","","2693.1","0.3","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Dipp*SnCl]~2~","","","- C60 H74 Cl2 Sn2 -","- C60 H74 Cl2 Sn2 -","- C120 H148 Cl4 Sn4 -","2","0.5","","Lihung Pu; Andrew D. Phillips; Anne F. Richards; Matthias Stender; Richard S. Simons; Marilyn M. Olmstead; Philip P. Power","Germanium and Tin Analogues of Alkynes and Their Reduction Products","Journal of the American Chemical Society","2003","125","","11626","11636","10.1021/ja035711m","","","0.71073","MoKα","","0.0771","0.0697","","","0.192","0.1997","","","","","","1.076","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114187","14.2725","0.0015","20.169","0.002","24.16","0.002","90","","98.192","0.008","90","","6883.8","1.2","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Bert*Ge]2Na.0.5hexane","","","- C75 H105 Ge2 Na -","- C75 H105 Ge2 Na -","- C300 H420 Ge8 Na4 -","4","1","","Lihung Pu; Andrew D. Phillips; Anne F. Richards; Matthias Stender; Richard S. Simons; Marilyn M. Olmstead; Philip P. Power","Germanium and Tin Analogues of Alkynes and Their Reduction Products","Journal of the American Chemical Society","2003","125","","11626","11636","10.1021/ja035711m","","","1.54178","CuKα","","0.0676","0.0479","","","0.1056","0.1159","","","","","","1.02","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114188","10.6822","0.0013","19.393","0.002","26.455","0.003","90","","93.599","0.002","90","","5469.6","1.1","91","2","91","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dipp*GeGeDipp*K","","","- C60 H74 Ge2 K -","- C60 H74 Ge2 K -","- C240 H296 Ge8 K4 -","4","1","","Lihung Pu; Andrew D. Phillips; Anne F. Richards; Matthias Stender; Richard S. Simons; Marilyn M. Olmstead; Philip P. Power","Germanium and Tin Analogues of Alkynes and Their Reduction Products","Journal of the American Chemical Society","2003","125","","11626","11636","10.1021/ja035711m","","","0.71073","MoKα","","0.0473","0.0371","","","0.0922","0.0983","","","","","","1.051","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114189","9.617","0.002","12.705","0.003","12.833","0.004","113.68","0.005","97.789","0.009","110.46","0.02","1273.9","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","(Dipp*GeLi)2","","","- C60 H74 Ge2 Li2 -","- C60 H74 Ge2 Li2 -","- C60 H74 Ge2 Li2 -","1","0.5","","Lihung Pu; Andrew D. Phillips; Anne F. Richards; Matthias Stender; Richard S. Simons; Marilyn M. Olmstead; Philip P. Power","Germanium and Tin Analogues of Alkynes and Their Reduction Products","Journal of the American Chemical Society","2003","125","","11626","11636","10.1021/ja035711m","","","0.71073","MoKα","","0.066","0.0486","","","0.1121","0.1174","","","","","","1.068","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114190","12.5633","0.0013","12.8465","0.0012","15.1597","0.0011","81.996","0.007","74.24","0.007","65.17","0.007","2136.2","0.4","130","2","130","2","","","","","","","","4","P -1","-P 1","2","K2[Bert*Ge]2.4benzene","","","- C96 H122 Ge2 K2 -","- C96.06 H116 Ge2 K2 -","- C96.06 H116 Ge2 K2 -","1","0.5","","Lihung Pu; Andrew D. Phillips; Anne F. Richards; Matthias Stender; Richard S. Simons; Marilyn M. Olmstead; Philip P. Power","Germanium and Tin Analogues of Alkynes and Their Reduction Products","Journal of the American Chemical Society","2003","125","","11626","11636","10.1021/ja035711m","","","1.54178","CuKα","","0.0421","0.0376","","","0.0965","0.0994","","","","","","1.054","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114191","17.433","0.002","18.014","0.003","14.475","0.0018","90","","96.551","0.004","90","","4516","1.1","143","2","143","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","(Dipp*Sn)2K(THF)6.2THF","","","- C88 H130 K O8 Sn2 -","- C88 H130 K O8 Sn2 -","- C176 H260 K2 O16 Sn4 -","2","0.25","","Lihung Pu; Andrew D. Phillips; Anne F. Richards; Matthias Stender; Richard S. Simons; Marilyn M. Olmstead; Philip P. Power","Germanium and Tin Analogues of Alkynes and Their Reduction Products","Journal of the American Chemical Society","2003","125","","11626","11636","10.1021/ja035711m","","","0.71073","MoKα","","0.0705","0.0546","","","0.1542","0.175","","","","","","1.154","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114192","16.72","0.004","16.72","0.004","29.616","0.006","90","","90","","90","","8279","3","140","2","140","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","(NaSnBert*)~2~^.^3benzene","","","- C90 H116 Na2 Sn2 -","- C90 H116 Na2 Sn2 -","- C360 H464 Na8 Sn8 -","4","0.5","","Lihung Pu; Andrew D. Phillips; Anne F. Richards; Matthias Stender; Richard S. Simons; Marilyn M. Olmstead; Philip P. Power","Germanium and Tin Analogues of Alkynes and Their Reduction Products","Journal of the American Chemical Society","2003","125","","11626","11636","10.1021/ja035711m","","","0.71073","MoKα","","0.121","0.0604","","","0.0928","0.1122","","","","","","1.005","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114193","26.268","0.002","18.7851","0.0016","15.0562","0.0013","90","","111.697","0.002","90","","6903.1","1","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(Dipp*SnK)2.1.5C6H6","","","- C78 H92 K2 Sn2 -","- C79 H92 K2 Sn2 -","- C316 H368 K8 Sn8 -","4","0.5","","Lihung Pu; Andrew D. Phillips; Anne F. Richards; Matthias Stender; Richard S. Simons; Marilyn M. Olmstead; Philip P. Power","Germanium and Tin Analogues of Alkynes and Their Reduction Products","Journal of the American Chemical Society","2003","125","","11626","11636","10.1021/ja035711m","","","0.71073","MoKα","","0.0284","0.0242","","","0.0586","0.0617","","","","","","1.038","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114194","36.004","0.0005","36.004","0.0005","36.004","0.0005","90","","90","","90","","46671.6","1.1","129","","293","2","","","","","","","synthetic","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C33 H68 Cl18 N2 W6 -","- C33 H54 Cl18 N2 W6 -","- C1056 H1728 Cl576 N64 W192 -","32","0.166667","","Eric J. Welch; Nathan R. M. Crawford; Robert G. Bergman; Jeffrey R. Long","New Routes to Transition Metal-Carbido Species: Synthesis and Characterization of the Carbon-Centered Trigonal Prismatic Clusters [W6CCl18]n- (n= 1, 2, 3)","Journal of the American Chemical Society","2003","125","","11464","11465","10.1021/ja035962v","","","0.71073","MoKα","","0.0547","0.0428","","0.1142","0.1032","","","","1.126","1.131","1.131","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114195","12.4658","0.0005","13.2168","0.0005","13.6449","0.0005","99.757","0.002","113.24","0.001","92.073","0.002","2022.59","0.14","113","","293","2","","","","","","","synthetic","5","P -1","-P 1","2","","","","- C17 H36 Cl18 N W6 -","- C17 Cl18 N W6 -","- C34 Cl36 N2 W12 -","2","1","","Eric J. Welch; Nathan R. M. Crawford; Robert G. Bergman; Jeffrey R. Long","New Routes to Transition Metal-Carbido Species: Synthesis and Characterization of the Carbon-Centered Trigonal Prismatic Clusters [W6CCl18]n- (n= 1, 2, 3)","Journal of the American Chemical Society","2003","125","","11464","11465","10.1021/ja035962v","","","0.71073","MoKα","","0.0742","0.0492","","0.1347","0.1193","","","","1.018","1.063","1.063","","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114196","14.069","0.003","39.385","0.01","15.887","0.003","90","","93.928","0.013","90","","8782","3","120","","273","2","","","","","","","synthetic","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H73 Cl18 N O P3 W6 -","- C79 H73 Cl18 N O P3 W6 -","- C316 H292 Cl72 N4 O4 P12 W24 -","4","1","","Eric J. Welch; Nathan R. M. Crawford; Robert G. Bergman; Jeffrey R. Long","New Routes to Transition Metal-Carbido Species: Synthesis and Characterization of the Carbon-Centered Trigonal Prismatic Clusters [W6CCl18]n- (n= 1, 2, 3)","Journal of the American Chemical Society","2003","125","","11464","11465","10.1021/ja035962v","","","0.71073","MoKα","","0.1098","0.0563","","0.1315","0.1117","","","","0.989","1.074","1.074","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114197","6.9308","0.0018","7.6574","0.0019","33.874","0.009","90","","92.563","0.006","90","","1796","0.8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C76 H100 N4 O24 -","4","1","","P. Andrew Evans; Jian Cui; Santosh J. Gharpure; Robert J. Hinkle","Stereoselective Construction of Cyclic Ethers Using a Tandem Two-Component Etherification: Elucidation of the Role of Bismuth Tribromide","Journal of the American Chemical Society","2003","125","","11456","11457","10.1021/ja036439j","","","0.71073","MoKα","","0.0656","0.0555","","","0.1249","0.1296","","","","","","1.171","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4114198","19.2443","0.0016","25.525","0.002","24.118","0.003","90","","108.666","0.01","90","","11224","2","148","","148","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C113.37 H126.74 B2 Cl4.74 N12 O4 Zn2 -","- C114 H128 B2 Cl6 N12 O4 Zn2 -","- C456 H512 B8 Cl24 N48 O16 Zn8 -","4","1","","David A. Shultz; Rosario M. Fico; Scot H. Bodnar; R. Krishna Kumar; Kira E. Vostrikova; Jeff W. Kampf; Paul D. Boyle","Trends in Exchange Coupling for Trimethylenemethane-Type Bis(semiquinone) Biradicals and Correlation of Magnetic Exchange with Mixed Valency for Cross-Conjugated Systems","Journal of the American Chemical Society","2003","125","","11761","11771","10.1021/ja0367849","","","0.71073","MolybdenumKα","","0.092","0.091","","0.091","0.09","","","","","1.55","1.55","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114199","18.2397","0.0013","18.3714","0.0014","18.363","0.0013","81.61","0.004","67.429","0.003","70.397","0.003","5351.6","0.7","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C113.5 H141 B2 Cl N12 O4 Zn2 -","- C113 H140 B2 N12 O4 Zn2 -","- C226 H280 B4 N24 O8 Zn4 -","2","1","","David A. Shultz; Rosario M. Fico; Scot H. Bodnar; R. Krishna Kumar; Kira E. Vostrikova; Jeff W. Kampf; Paul D. Boyle","Trends in Exchange Coupling for Trimethylenemethane-Type Bis(semiquinone) Biradicals and Correlation of Magnetic Exchange with Mixed Valency for Cross-Conjugated Systems","Journal of the American Chemical Society","2003","125","","11761","11771","10.1021/ja0367849","","","0.71073","MoKα","","0.1488","0.0814","","","0.2151","0.244","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114200","32.376","0.002","18.979","0.0012","18.4471","0.0012","90","","116.337","0.003","90","","10158.5","1.1","118","2","118","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C108 H128 B2 Cl4 N12 O4 Zn2 -","- C108 H128 B2 Cl4 N12 O4 Zn2 -","- C432 H512 B8 Cl16 N48 O16 Zn8 -","4","0.5","","David A. Shultz; Rosario M. Fico; Scot H. Bodnar; R. Krishna Kumar; Kira E. Vostrikova; Jeff W. Kampf; Paul D. Boyle","Trends in Exchange Coupling for Trimethylenemethane-Type Bis(semiquinone) Biradicals and Correlation of Magnetic Exchange with Mixed Valency for Cross-Conjugated Systems","Journal of the American Chemical Society","2003","125","","11761","11771","10.1021/ja0367849","","","0.71073","MoKα","","0.1366","0.0903","","","0.2638","0.3128","","","","","","1.025","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114201","13.3366","0.0013","18.8734","0.0018","27.555","0.003","106.665","0.002","96.63","0.002","104.208","0.002","6310.9","1.1","293","2","158","2","","","","","","","","7","P -1","-P 1","2","","","","- C111 H133 B2 Cl4 N12 O4 Zn2 -","- C111 H133 B2 Cl4 N12 O4 Zn2 -","- C222 H266 B4 Cl8 N24 O8 Zn4 -","2","1","","David A. Shultz; Rosario M. Fico; Scot H. Bodnar; R. Krishna Kumar; Kira E. Vostrikova; Jeff W. Kampf; Paul D. Boyle","Trends in Exchange Coupling for Trimethylenemethane-Type Bis(semiquinone) Biradicals and Correlation of Magnetic Exchange with Mixed Valency for Cross-Conjugated Systems","Journal of the American Chemical Society","2003","125","","11761","11771","10.1021/ja0367849","","","0.71073","MoKα","","0.117","0.0941","","","0.2774","0.285","","","","","","2.159","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114202","15.8309","0.0015","18.2583","0.0018","24.387","0.002","100.534","0.003","96.673","0.003","113.552","0.003","6211.2","1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C114.5 H142 B2 Cl9 N12 O4 Zn2 -","- C114 H140 B2 Cl8 N12 O4 Zn2 -","- C228 H280 B4 Cl16 N24 O8 Zn4 -","2","1","","David A. Shultz; Rosario M. Fico; Scot H. Bodnar; R. Krishna Kumar; Kira E. Vostrikova; Jeff W. Kampf; Paul D. Boyle","Trends in Exchange Coupling for Trimethylenemethane-Type Bis(semiquinone) Biradicals and Correlation of Magnetic Exchange with Mixed Valency for Cross-Conjugated Systems","Journal of the American Chemical Society","2003","125","","11761","11771","10.1021/ja0367849","","","0.71073","MoKα","","0.1136","0.0821","","","0.2337","0.2446","","","","","","1.599","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114203","10.3906","","9.6213","0.0001","13.4593","0.0005","90","","95.347","0.002","90","","1339.69","0.05","296.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H37 N O3 Si -","- C26 H37 N O3 Si -","- C52 H74 N2 O6 Si2 -","2","1","","Naoki Kise; Hiroshi Ozaki; Noriaki Moriyama; Yasuo Kitagishi; Nasuo Ueda","Electroreductive Intramolecular Coupling of Chiral α-Imino Esters: Stereoselective Synthesis of Mixed Ketals of cis-2,4-Disubstituted Azetidine-3-ones","Journal of the American Chemical Society","2003","125","","11591","11596","10.1021/ja036975b","","","0.7107","MoKα","","","0.059","","","","0.195","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114204","8.8306","0.0011","9.2307","0.0011","10.8926","0.0014","68.412","0.002","67.056","0.002","75.297","0.002","753.94","0.16","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H22 I2 O6 U -","- C8 H22 I0.685 N0.315 O4.945 U0.5 -","- C16 H44 I1.37 N0.63 O9.89 U -","2","1","","Margaret-Jane Crawford; Arkady Ellern; Heinrich Nöth; Max Suter","Synthesis and Structure of UO2I2(OH2)2.4Et2O: First Structurally Characterized U(VI)-I Bond and Lightest Missing Member of the UO2X2 (X = Halide) Series","Journal of the American Chemical Society","2003","125","","11778","11779","10.1021/ja030260r","","","0.71073","MoKα","","0.035","0.0323","","","0.0846","0.0873","","","","","","1.054","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4114205","10.582","0.002","13.246","0.003","14.854","0.003","102.93","0.004","96.721","0.007","102.373","0.011","1952.2","0.7","90","2","90","2","","","","","","","","5","P -1","-P 1","2","[Fe(OEPO)(NO)(pyridine)]~2~^.^pyridine","","","- C87 H101 Fe2 N13 O4 -","- C87 H101 Fe2 N13 O4 -","- C87 H101 Fe2 N13 O4 -","1","0.5","","Sankar Prasad Rath; Richard Koerner; Marilyn M. Olmstead; Alan L. Balch","Reversible Binding of Nitric Oxide and Carbon-Carbon Bond Formation in a Meso-hydroxylated Heme","Journal of the American Chemical Society","2003","125","","11798","11799","10.1021/ja035032b","","","0.71073","MoKα","","0.1157","0.0554","","","0.1148","0.135","","","","","","1.025","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114206","20.0878","0.001","20.0878","0.001","23.882","0.003","90","","90","","120","","8345.8","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C44 H8 Cu F20 N4 -","- C44 H8 Cu F20 N4 -","- C396 H72 Cu9 F180 N36 -","9","0.5","","Hiromitsu Maeda; Yuichi Ishikawa; Tomoyuki Matsuda; Atsuhiro Osuka; Hiroyuki Furuta","Control of Cu(II) and Cu(III) States in N-Confused Porphyrin by Protonation/Deprotonation at the Peripheral Nitrogen","Journal of the American Chemical Society","2003","125","","11822","11823","10.1021/ja0356075","","","0.71073","MoKα","","0.0947","0.0681","","","0.1757","0.2006","","","","","","1.038","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114207","17.6761","0.0006","9.1902","0.0003","19.6839","0.0007","90","","103.483","0.001","90","","3109.46","0.18","141.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H43 N5 O4 S2 Zr -","- C26 H43 N5 O4 S2 Zr -","- C104 H172 N20 O16 S8 Zr4 -","4","2","","Lutz Ackermann; Robert G. Bergman; Rebecca N. Loy","Use of Group 4 Bis(sulfonamido) Complexes in the Intramolecular Hydroamination of Alkynes and Allenes","Journal of the American Chemical Society","2003","125","","11956","11963","10.1021/ja0361547","","","0.7107","MoKα","","","0.0396","","","","0.0455","","","","","","1.243","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114208","10.6","0.04","11.945","0.014","14.71","0.05","98.97","0.19","99.1","0.3","111","0.3","1671","10","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H53 N O2 Sn -","- C31 H53 N O2 Sn -","- C62 H106 N2 O4 Sn2 -","2","1","","Asunción Barbero; Francisco J. Pulido; Juan A. Rincón","Addition of Organometallic Compounds to Tin-Containing Cyclic Ketones. Remote Stereocontrol Induced by the Stannyl Group","Journal of the American Chemical Society","2003","125","","12049","12056","10.1021/ja036340c","","","0.71073","MoKα","","0.2748","0.0721","","","0.1699","0.2835","","","","","","0.863","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114209","11.483","","12.888","","15.22","","97.31","","97.65","","100.65","","2167.13","","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C41 H49 B9 Cl2 P2 Ru S -","- C41 H49 B9 Cl2 P2 Ru S -","- C82 H98 B18 Cl4 P4 Ru2 S2 -","2","1","","Oscar Tutusaus; Clara Viñas; Rosario Núñez; Francesc Teixidor; Albert Demonceau; Sébastien Delfosse; Alfred F. Noels; Ignasi Mata; Elies Molins","The Modulating Possibilities of Dicarbollide Clusters: Optimizing the Kharasch Catalysts","Journal of the American Chemical Society","2003","125","","11830","11831","10.1021/ja036342x","","x-ray","0.71073","MoKα","","0.2209","0.082","","","0.1809","0.2315","","","","","","0.96","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114210","10.9857","0.0016","14.119","0.002","16.374","0.002","90","","90","","90","","2539.7","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H21 N2 O6 P -","- C30 H21 N2 O6 P -","- C120 H84 N8 O24 P4 -","4","1","","Thomas P. Clark; Clark R. Landis","Resolved Chiral 3,4-Diazaphospholanes and Their Application to Catalytic Asymmetric Allylic Alkylation","Journal of the American Chemical Society","2003","125","","11792","11793","10.1021/ja036359f","","","0.71073","MoKα","","0.0362","0.034","","","0.084","0.0853","","","","","","1.047","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114211","8.822","0.002","10.189","0.002","12.997","0.002","104.96","0.03","98.34","0.03","108.47","0.03","1037.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","anne","","","- C23 H30 O2 S -","- C23 H30 O2 S -","- C46 H60 O4 S2 -","2","1","","Genia Sklute; Deborah Amsallem; Amal Shabli; Jos P. Varghese; Ilan Marek","Four-Component Reactions for a New Diastereoselective Synthesis of Chiral Quaternary Centers","Journal of the American Chemical Society","2003","125","","11776","11777","10.1021/ja036872t","","","0.7107","MoKα","","0.1408","0.0687","","","0.1693","0.2108","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114212","11.105","0.002","16.363","0.003","12","0.002","90","","114.12","0.03","90","","1990.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Marek-5 Dvora","","","- C22 H28 O2 S -","- C22 H28 O2 S -","- C88 H112 O8 S4 -","4","1","","Genia Sklute; Deborah Amsallem; Amal Shabli; Jos P. Varghese; Ilan Marek","Four-Component Reactions for a New Diastereoselective Synthesis of Chiral Quaternary Centers","Journal of the American Chemical Society","2003","125","","11776","11777","10.1021/ja036872t","","","0.71073","MoKα","","0.0997","0.0554","","","0.1266","0.1383","","","","","","0.875","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114213","8.999","0.002","13.651","0.003","13.679","0.003","65.48","0.02","72.5","0.02","72.4","0.02","1427.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Marek-6 Dvora","","","- C30 H37 N O3 S2 -","- C30 H37 N O3 S2 -","- C60 H74 N2 O6 S4 -","2","1","","Genia Sklute; Deborah Amsallem; Amal Shabli; Jos P. Varghese; Ilan Marek","Four-Component Reactions for a New Diastereoselective Synthesis of Chiral Quaternary Centers","Journal of the American Chemical Society","2003","125","","11776","11777","10.1021/ja036872t","","","0.71073","MoKα","","0.1526","0.0576","","","0.1076","0.1295","","","","","","0.875","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114214","8.145","0.009","13.984","0.012","15.698","0.014","90","","110","0.01","90","","1680","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 I N3 -","- C14 H28 I N3 -","- C56 H112 I4 N12 -","4","1","","Thomas W. Bell; Heung-Jin Choi; William Harte; Michael G. B. Drew","Syntheses, Conformations, and Basicities of Bicyclic Triamines","Journal of the American Chemical Society","2003","125","","12196","12210","10.1021/ja030236d","","","0.71073","MoKα","","0.175","0.073","","","0.073","0.175","","","","","","0.946","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114215","13.867","0.011","13.898","0.012","11.504","0.015","90","","90","","90","","2217","4","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C12 H24 I N3 -","- C12 H24 I N3 -","- C96 H192 I8 N24 -","8","2","","Thomas W. Bell; Heung-Jin Choi; William Harte; Michael G. B. Drew","Syntheses, Conformations, and Basicities of Bicyclic Triamines","Journal of the American Chemical Society","2003","125","","12196","12210","10.1021/ja030236d","","","0.71073","MoKα","","0.172","0.084","","","0.086","0.177","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114216","34.5261","0.0022","6.0759","0.0004","10.5382","0.0009","90","","101.678","0.0026","90","","2164.9","0.3","150","1","150","1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H11 N3 -","- C19 H11 N3 -","- C114 H66 N18 -","6","1.5","","Takuya Yamamoto; Atta M. Arif; Peter J. Stang","Dynamic Equilibrium of a Supramolecular Dimeric Rhomboid and Trimeric Hexagon and Determination of Its Thermodynamic Constants","Journal of the American Chemical Society","2003","125","","12309","12317","10.1021/ja0302984","","","0.71073","MoKα","","0.1101","0.0663","","","0.14","0.1582","","","","","","1.129","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114217","8.6749","0.0002","9.0021","0.0002","23.7069","0.0006","92.233","0.0008","97.2203","0.0008","101.041","0.0016","1798.87","0.07","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C55 H62 F12 N6 O13 P4 Pt2 S4 -","- C55 H58 F12 N6 O13 P4 Pt2 S4 -","- C55 H58 F12 N6 O13 P4 Pt2 S4 -","1","0.5","","Takuya Yamamoto; Atta M. Arif; Peter J. Stang","Dynamic Equilibrium of a Supramolecular Dimeric Rhomboid and Trimeric Hexagon and Determination of Its Thermodynamic Constants","Journal of the American Chemical Society","2003","125","","12309","12317","10.1021/ja0302984","","","0.71073","MoKα","","0.0465","0.0404","","","0.1007","0.1046","","","","","","1.051","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114218","8.7747","0.0001","8.898","0.0001","24.3946","0.0004","99.106","0.001","95.762","0.001","99.214","0.001","1840.88","0.04","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C58 H68 F12 N6 O13 P4 Pt2 S4 -","- C58 H68 F12 N6 O13 P4 Pt2 S4 -","- C58 H68 F12 N6 O13 P4 Pt2 S4 -","1","0.5","","Takuya Yamamoto; Atta M. Arif; Peter J. Stang","Dynamic Equilibrium of a Supramolecular Dimeric Rhomboid and Trimeric Hexagon and Determination of Its Thermodynamic Constants","Journal of the American Chemical Society","2003","125","","12309","12317","10.1021/ja0302984","","","0.71073","MoKα","","0.0331","0.0292","","","0.0669","0.0689","","","","","","1.06","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114219","8.705","0.0015","13.351","0.002","13.484","0.002","87.207","0.003","84.974","0.003","81.127","0.003","1541.4","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H19 F3 Mn N3 O -","- C14 H19 F3 Mn N3 O -","- C56 H76 F12 Mn4 N12 O4 -","4","2","","Claire Mantel; Alia K. Hassan; Jacques Pécaut; Alain Deronzier; Marie-Noëlle Collomb; Carole Duboc-Toia","A High-Frequency and High-Field EPR Study of New Azide and Fluoride Mononuclear Mn(III) Complexes","Journal of the American Chemical Society","2003","125","","12337","12344","10.1021/ja034652+","","","0.71073","MoKα","","0.05","0.0365","","","0.0959","0.1004","","","","","","0.979","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114220","8.5919","0.0006","15.7208","0.0011","27.2838","0.0019","90","","90","","90","","3685.3","0.4","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Mn N12 -","- C14 H17 Mn N12 -","- C112 H136 Mn8 N96 -","8","1","","Claire Mantel; Alia K. Hassan; Jacques Pécaut; Alain Deronzier; Marie-Noëlle Collomb; Carole Duboc-Toia","A High-Frequency and High-Field EPR Study of New Azide and Fluoride Mononuclear Mn(III) Complexes","Journal of the American Chemical Society","2003","125","","12337","12344","10.1021/ja034652+","","","0.71073","MoKα","","0.0603","0.0303","","","0.0645","0.0691","","","","","","0.897","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114221","10.0235","0.0008","9.8795","0.0008","16.5225","0.0013","90","","101.181","0.002","90","","1605.1","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15.6 F3 Mn N3 O1.3 -","- C16 H15.6022 F3 Mn N3 O1.3011 -","- C64 H62.4088 F12 Mn4 N12 O5.2044 -","4","1","","Claire Mantel; Alia K. Hassan; Jacques Pécaut; Alain Deronzier; Marie-Noëlle Collomb; Carole Duboc-Toia","A High-Frequency and High-Field EPR Study of New Azide and Fluoride Mononuclear Mn(III) Complexes","Journal of the American Chemical Society","2003","125","","12337","12344","10.1021/ja034652+","","","0.71073","MoKα","","0.0819","0.0472","","","0.1047","0.1124","","","","","","0.926","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114222","12.653","0.005","11.538","0.005","18.794","0.005","90","","97.116","0.005","90","","2722.6","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Cl7 N2 O2 -","- C18 H27 Cl7 N2 O2 -","- C72 H108 Cl28 N8 O8 -","4","1","","Pierre Braunstein; Olivier Siri; Jean-philippe Taquet; Marie-Madeleine Rohmer; Marc Bénard; Richard Welter","A 6π + 6π Potentially Antiaromatic Zwitterion Preferred to a Quinoidal Structure: Its Reactivity Toward Organic and Inorganic Reagents","Journal of the American Chemical Society","2003","125","","12246","12256","10.1021/ja0354622","","","0.71069","MoKα","","0.1363","0.0861","","","0.2014","0.2145","","","","","","1.128","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114223","32.358","0.002","13.502","0.002","24.127","0.002","90","0.01","116.35","0.05","90","0.01","9446","4","183","2","183","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H31 B Cl2 F4 N2 O2 -","- C18 H31 B Cl2 F4 N2 O2 -","- C288 H496 B16 Cl32 F64 N32 O32 -","16","2","","Pierre Braunstein; Olivier Siri; Jean-philippe Taquet; Marie-Madeleine Rohmer; Marc Bénard; Richard Welter","A 6π + 6π Potentially Antiaromatic Zwitterion Preferred to a Quinoidal Structure: Its Reactivity Toward Organic and Inorganic Reagents","Journal of the American Chemical Society","2003","125","","12246","12256","10.1021/ja0354622","","","0.7107","MoKα","","0.3036","0.1325","","","0.2118","0.248","","","","","","1.323","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114224","9.483","0.005","11.395","0.005","12.583","0.005","102.76","0.005","90.876","0.005","97.566","0.005","1313.2","1","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Cl2 N2 O4 Pd -","- C22 H34 Cl2 N2 O4 Pd -","- C44 H68 Cl4 N4 O8 Pd2 -","2","1","","Pierre Braunstein; Olivier Siri; Jean-philippe Taquet; Marie-Madeleine Rohmer; Marc Bénard; Richard Welter","A 6π + 6π Potentially Antiaromatic Zwitterion Preferred to a Quinoidal Structure: Its Reactivity Toward Organic and Inorganic Reagents","Journal of the American Chemical Society","2003","125","","12246","12256","10.1021/ja0354622","","","0.71069","MoKα","","0.0464","0.0365","","","0.0929","0.0978","","","","","","1.029","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114225","19.827","0.005","12.558","0.005","21.186","0.005","90","0.005","90","0.005","90","0.005","5275","3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C53 H54 Cl2 O12 P2 -","- C54 H52 Cl2 O12 P2 -","- C216 H208 Cl8 O48 P8 -","4","0.5","","Michele Suman; Micol Freddi; Chiara Massera; Franco Ugozzoli; Enrico Dalcanale","Rational Design of Cavitand Receptors for Mass Sensors","Journal of the American Chemical Society","2003","125","","12068","12069","10.1021/ja0355271","","","0.71073","MoKα","","0.073","0.0532","","","0.1351","0.1442","","","","","","0.947","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114226","9.3721","0.0006","16.7911","0.001","11.9364","0.0007","90","","98.028","0.001","90","","1860","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 Cl O3 Ru -","- C20 H27 Cl O3 Ru -","- C80 H108 Cl4 O12 Ru4 -","4","1","","Yoshihiko Yamamoto; Takayasu Arakawa; Ryuji Ogawa; Kenji Itoh","Ruthenium(II)-Catalyzed Selective Intramolecular [2 + 2 + 2] Alkyne Cyclotrimerizations","Journal of the American Chemical Society","2003","125","","12143","12160","10.1021/ja0358697","","","0.71073","MoKα","","0.0344","0.0318","","","0.0855","0.0871","","","","","","1.077","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114227","16.559","0.002","7.331","0.0009","38.161","0.005","90","","90","","90","","4632.5","1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H29 Cl O Ru -","- C56 H58 Cl2 O2 Ru2 -","- C224 H232 Cl8 O8 Ru8 -","4","0.5","","Yoshihiko Yamamoto; Takayasu Arakawa; Ryuji Ogawa; Kenji Itoh","Ruthenium(II)-Catalyzed Selective Intramolecular [2 + 2 + 2] Alkyne Cyclotrimerizations","Journal of the American Chemical Society","2003","125","","12143","12160","10.1021/ja0358697","","","0.71073","MoKα","","0.0464","0.0437","","","0.1118","0.1179","","","","","","1.207","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114228","12.889","0.003","13.984","0.003","18.305","0.004","95.64","0.03","105.44","0.03","98.36","0.03","3113.8","1.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C73.5 H44 Ce Cl3 N16 O -","- C73.5 H41 Ce Cl3 N16 O -","- C147 H82 Ce2 Cl6 N32 O2 -","2","1","","Yongzhong Bian; Jianzhuang Jiang; Ye Tao; Michael T. M. Choi; Renjie Li; Anthony C. H. Ng; Peihua Zhu; Na Pan; Xuan Sun; Dennis P. Arnold; Zhong-Yuan Zhou; Hung-Wing Li; Thomas C. W. Mak; Dennis K. P. Ng","Tuning the Valence of the Cerium Center in (Na)phthalocyaninato and Porphyrinato Cerium Double-Deckers by Changing the Nature of the Tetrapyrrole Ligands","Journal of the American Chemical Society","2003","125","","12257","12267","10.1021/ja036017+","","","0.71073","MoKα","","0.0607","0.0577","","0.1789","0.1724","","","","1.214","1.199","1.199","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114229","29.048","0.007","10.888","0.002","26.642","0.006","90","","90","","90","","8426","3","293","2","293","2","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- C87 H74 Ce N12 -","- C87 H74 Ce N12 -","- C348 H296 Ce4 N48 -","4","0.5","","Yongzhong Bian; Jianzhuang Jiang; Ye Tao; Michael T. M. Choi; Renjie Li; Anthony C. H. Ng; Peihua Zhu; Na Pan; Xuan Sun; Dennis P. Arnold; Zhong-Yuan Zhou; Hung-Wing Li; Thomas C. W. Mak; Dennis K. P. Ng","Tuning the Valence of the Cerium Center in (Na)phthalocyaninato and Porphyrinato Cerium Double-Deckers by Changing the Nature of the Tetrapyrrole Ligands","Journal of the American Chemical Society","2003","125","","12257","12267","10.1021/ja036017+","","","0.71073","MoKα","","0.1443","0.074","","","0.2022","0.2634","","","","","","1.063","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114230","13.4244","0.0007","19.1277","0.001","9.5488","0.0005","90","","102.48","0.001","90","","2394","0.2","158","2","158","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 B O -","- C13 H23 B O -","- C104 H184 B8 O8 -","8","2","","Carl E. Wagner; Jang-Seob Kim; Kenneth J. Shea","The Polyhomologation of 1-Boraadamantane: Mapping the Migration Pathways of a Propagating Macrotricyclic Trialkylborane","Journal of the American Chemical Society","2003","125","","12179","12195","10.1021/ja0361291","","","0.71073","MoKα","","0.101","0.0494","","","0.1005","0.1269","","","","","","1","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114231","16.105","0.002","12.58","0.0016","13.6124","0.0017","90","","114.53","0.002","90","","2509","0.5","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H23 B O S -","- C12 H23 B O S -","- C96 H184 B8 O8 S8 -","8","2","","Carl E. Wagner; Jang-Seob Kim; Kenneth J. Shea","The Polyhomologation of 1-Boraadamantane: Mapping the Migration Pathways of a Propagating Macrotricyclic Trialkylborane","Journal of the American Chemical Society","2003","125","","12179","12195","10.1021/ja0361291","","","0.71073","MoKα","","0.086","0.0454","","","0.0981","0.1168","","","","","","1.023","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114232","22.74","0.004","22.735","0.003","30.569","0.005","74.971","0.005","88.762","0.006","59.955","0.004","13101","4","123.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C298.2 H346.8 Cl6.7 N24 O12.3 Zn6 -","- C298.2 H323.5 Cl6.7 N24 O12.3 Zn6 -","- C596.4 H647 Cl13.4 N48 O24.6 Zn12 -","2","1","","Hidemitsu Uno; Akane Masumoto; Noboru Ono","Hexagonal Columnar Porphyrin Assembly by Unique Trimeric Complexation of a Porphyrin Dimer with π-π Stacking: Remarkable Thermal Behavior in a Solid","Journal of the American Chemical Society","2003","125","","12082","12083","10.1021/ja036203f","","","0.7107","MoKa","","","0.09","","","","0.14","","","","","","1.853","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4114233","10.093","0.002","12.653","0.002","16.267","0.003","89.477","0.007","85.161","0.007","86.061","0.007","2065.1","0.6","173.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H110 N10 O2 Zn2 -","- C100 H110 N10 O2 Zn2 -","- C100 H110 N10 O2 Zn2 -","1","0.5","","Hidemitsu Uno; Akane Masumoto; Noboru Ono","Hexagonal Columnar Porphyrin Assembly by Unique Trimeric Complexation of a Porphyrin Dimer with π-π Stacking: Remarkable Thermal Behavior in a Solid","Journal of the American Chemical Society","2003","125","","12082","12083","10.1021/ja036203f","","","0.7107","MoKa","","","0.079","","","","0.238","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114234","6.572","0.001","15.191","0.001","12.7036","0.0009","90","","94.812","0.009","90","","1263.8","0.2","298.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Hidemitsu Uno; Akane Masumoto; Noboru Ono","Hexagonal Columnar Porphyrin Assembly by Unique Trimeric Complexation of a Porphyrin Dimer with π-π Stacking: Remarkable Thermal Behavior in a Solid","Journal of the American Chemical Society","2003","125","","12082","12083","10.1021/ja036203f","","","0.7107","MoKa","","","0.046","","","","0.065","","","","","","1.861","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114235","13.851","0.0017","8.624","0.0011","19.889","0.003","90","","107.515","0.008","90","","2265.6","0.5","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","JDS-IV-16","JDS-IV-16","","- C19 H25 B Cl2 N7 Os -","- C19 H25 B Cl2 N7 Os -","- C76 H100 B4 Cl8 N28 Os4 -","4","1","","Jake D. Soper; James M. Mayer","Slow Hydrogen Atom Self-Exchange between Os(IV) Anilide and Os(III) Aniline Complexes: Relationships with Electron and Proton Transfer Self-Exchange","Journal of the American Chemical Society","2003","125","","12217","12229","10.1021/ja036328k","","","0.71073","MoKα","","0.1304","0.0535","","","0.0891","0.1075","","","","","","0.934","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114236","9.656","0.0002","20.688","0.0005","11.772","0.0002","90","","125.702","0.0013","90","","1909.66","0.08","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","JDS-IV-17","JDS-IV-17","","- C16 H18 B Cl2 N7 Os -","- C16 H18 B Cl2 N7 Os -","- C64 H72 B4 Cl8 N28 Os4 -","4","1","","Jake D. Soper; James M. Mayer","Slow Hydrogen Atom Self-Exchange between Os(IV) Anilide and Os(III) Aniline Complexes: Relationships with Electron and Proton Transfer Self-Exchange","Journal of the American Chemical Society","2003","125","","12217","12229","10.1021/ja036328k","","","0.71073","MoKα","","0.0348","0.025","","","0.0517","0.0541","","","","","","1","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114237","11.389","0.002","26.182","0.004","16.82","0.003","90","","101.849","0.012","90","","4908.6","1.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 N O4 P3 W -","- C58 H46 N O4 P3 W -","- C232 H184 N4 O16 P12 W4 -","4","1","","William W. Ellis; Rebecca Ciancanelli; Susie M. Miller; James W. Raebiger; M. Rakowski DuBois; Daniel L. DuBois","Thermodynamic Hydride Donor Abilities of [HW(CO)4L]- Complexes (L = PPh3, P(OMe)3, CO) and Their Reactions with [C5Me5Re(PMe3)(NO)(CO)]+","Journal of the American Chemical Society","2003","125","","12230","12236","10.1021/ja036524r","","","0.71073","MoKα","","0.0382","0.034","","","0.0799","0.0819","","","","","","1.133","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114238","10.0678","0.0016","8.5275","0.0014","14.399","0.002","90","","96.023","0.003","90","","1229.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","02054","","","- C7 H12.38 F3 Li O6 S -","- C7 H12.372 F3 Li O6 S -","- C28 H49.488 F12 Li4 O24 S4 -","4","1","","Wesley A. Henderson; Neil R. Brooks; Victor G. Young","Single-Crystal Structures of Polymer Electrolytes","Journal of the American Chemical Society","2003","125","","12098","12099","10.1021/ja036535k","","","0.71073","MoKα","","0.0477","0.0367","","","0.0863","0.0931","","","","","","1.054","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4114239","12.5349","0.0015","36.295","0.004","13.0899","0.0015","90","","91.276","0.003","90","","5953.8","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","02027y","","","- C68 H82 B2 Li2 O10 -","- C68 H82 B2 Li2 O10 -","- C272 H328 B8 Li8 O40 -","4","1","","Wesley A. Henderson; Neil R. Brooks; Victor G. Young","Single-Crystal Structures of Polymer Electrolytes","Journal of the American Chemical Society","2003","125","","12098","12099","10.1021/ja036535k","","","0.71073","MoKα","","0.1752","0.0956","","","0.2539","0.304","","","","","","1.055","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114240","12.9852","0.0016","24.937","0.002","8.9006","0.0012","90","","104.745","0.016","90","","2787.2","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1-Acetamido-3-(2-pyrimidinyl)-imidazolium hexafluorophosphate","","","- C9 H10 F6 N5 O P -","- C9 H10 F6 N5 O P -","- C72 H80 F48 N40 O8 P8 -","8","2","","Kwang Ming Lee; Hai-Chou Chang; Jyh-Chiang Jiang; Jack C. C. Chen; Hsiang-En Kao; Sheng Hsien Lin; Ivan J. B. Lin","C-H—O Hydrogen Bonds in β-Sheetlike Networks: Combined X-ray Crystallography and High-Pressure Infrared Study","Journal of the American Chemical Society","2003","125","","12358","12364","10.1021/ja036719z","","","0.71073","MoKα","","0.0609","0.0432","","","0.1078","0.1181","","","","","","1.032","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114241","26.02","0.006","7.128","0.002","11.941","0.006","90","","100.79","0.02","90","","2175.5","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1-Acetamido-3-(2-pyrimidinyl)-imidazolium bromide","","","- C9 H10 Br N5 O -","- C9 H10 Br N5 O -","- C72 H80 Br8 N40 O8 -","8","1","","Kwang Ming Lee; Hai-Chou Chang; Jyh-Chiang Jiang; Jack C. C. Chen; Hsiang-En Kao; Sheng Hsien Lin; Ivan J. B. Lin","C-H—O Hydrogen Bonds in β-Sheetlike Networks: Combined X-ray Crystallography and High-Pressure Infrared Study","Journal of the American Chemical Society","2003","125","","12358","12364","10.1021/ja036719z","","","0.71073","MoKα","","0.0476","0.04","","","0.1044","0.1096","","","","","","1.103","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114242","9.586","0.004","11.901","0.004","14.205","0.005","95.194","0.006","102.968","0.006","92.142","0.006","1570","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H45 Cu F6 N7 P -","- C27 H45 Cu F6 N7 P -","- C54 H90 Cu2 F12 N14 P2 -","2","1","","Xile Hu; Ingrid Castro-Rodriguez; Karsten Meyer","Copper Complexes of Nitrogen-Anchored Tripodal N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2003","125","","12237","12245","10.1021/ja036880+","","","0.71073","MoKα","","0.0438","0.0346","","","0.0811","0.0838","","","","","","0.967","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114243","11.6256","0.0018","12.2828","0.0019","21.027","0.003","89.234","0.003","78.523","0.003","71.615","0.002","2788.4","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H61.5 Cu3 F18 N16.5 P3 -","- C40 H60 Cu3 F18 N16 P3 -","- C80 H120 Cu6 F36 N32 P6 -","2","1","","Xile Hu; Ingrid Castro-Rodriguez; Karsten Meyer","Copper Complexes of Nitrogen-Anchored Tripodal N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2003","125","","12237","12245","10.1021/ja036880+","","","0.71073","MoKα","","0.0853","0.0597","","","0.1407","0.1471","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114244","14.131","0.004","20.193","0.006","20.713","0.006","116.583","0.005","98.521","0.005","98.861","0.005","5062","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H39 Br Cu N7 -","- C36 H39 Br Cu N7 -","- C216 H234 Br6 Cu6 N42 -","6","3","","Xile Hu; Ingrid Castro-Rodriguez; Karsten Meyer","Copper Complexes of Nitrogen-Anchored Tripodal N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2003","125","","12237","12245","10.1021/ja036880+","","","0.71073","MoKα","","0.0732","0.0428","","","0.0869","0.1015","","","","","","0.932","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114245","9.477","0.005","9.789","0.005","14.38","0.008","90","","90","","90","","1334","1.2","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Andrew G. Myers; Seth B. Herzon","Identification of a Novel Michael Acceptor Group for the Reversible Addition of Oxygen- and Sulfur-Based Nucleophiles. Synthesis and Reactivity of the 3-Alkylidene-3H-indole 1-Oxide Function of Avrainvillamide","Journal of the American Chemical Society","2003","125","","12080","12081","10.1021/ja0372006","","","0.71073","MoKα","","0.1893","0.0559","","","0.0926","0.1172","","","","","","0.727","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114246","9.1268","0.0011","15.632","0.003","9.5243","0.0009","90","","118.474","0.007","90","","1194.5","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H24 F9 K O8 S -","- C15 H24 F9 K O8 S -","- C30 H48 F18 K2 O16 S2 -","2","1","","Dmitri V. Sevenard; Alexander A. Kolomeitsev; Berthold Hoge; Enno Lork; Gerd-Volker Röschenthaler","Noncyclic [10-S-5] Sulfuranide Dioxide Salts with Three S-C Bonds: A New Class of Stable Hypervalent Compounds","Journal of the American Chemical Society","2003","125","","12366","12367","10.1021/ja030155h","","","0.71073","MoKα","","0.0623","0.0499","","","0.1144","0.1215","","","","","","1.042","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114247","4.692","0.004","13.185","0.01","13.287","0.01","113.94","0.03","91.177","0.015","92.157","0.014","750.2","1","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Zinc(II)octaethylporphyrin","","","- C36 H44 N4 Zn -","- C36 H44 N4 Zn -","- C36 H44 N4 Zn -","1","0.5","","Andrew Ozarowski; Hon Man Lee; Alan L. Balch","Crystal Environments Probed by EPR Spectroscopy. Variations in the EPR Spectra of CoII(octaethylporphyrin) Doped in Crystalline Diamagnetic Hosts and a Reassessment of the Electronic Structure of Four-Coordinate Cobalt(II)","Journal of the American Chemical Society","2003","125","","12606","12614","10.1021/ja030221f","","","0.71073","MoKα","","0.037","0.0349","","","0.0868","0.0897","","","","","","1.167","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114248","14.9979","0.0011","9.7677","0.0009","22.9303","0.0017","90","","90.021","0.003","90","","3359.2","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(dioxane)[Zn(OEP)]2","","","- C76 H96 N8 O2 Zn2 -","- C76 H96 N8 O2 Zn2 -","- C152 H192 N16 O4 Zn4 -","2","0.5","","Andrew Ozarowski; Hon Man Lee; Alan L. Balch","Crystal Environments Probed by EPR Spectroscopy. Variations in the EPR Spectra of CoII(octaethylporphyrin) Doped in Crystalline Diamagnetic Hosts and a Reassessment of the Electronic Structure of Four-Coordinate Cobalt(II)","Journal of the American Chemical Society","2003","125","","12606","12614","10.1021/ja030221f","","","0.71073","MoKα","","0.0609","0.0415","","","0.0971","0.1065","","","","","","1.026","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114249","9.8564","0.0009","10.3391","0.001","10.4252","0.0011","98.97","0.005","90.724","0.004","114.565","0.005","950.87","0.17","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Zn(OEP)(py)2","","","- C46 H54 N6 Zn -","- C46 H54 N6 Zn -","- C46 H54 N6 Zn -","1","0.5","","Andrew Ozarowski; Hon Man Lee; Alan L. Balch","Crystal Environments Probed by EPR Spectroscopy. Variations in the EPR Spectra of CoII(octaethylporphyrin) Doped in Crystalline Diamagnetic Hosts and a Reassessment of the Electronic Structure of Four-Coordinate Cobalt(II)","Journal of the American Chemical Society","2003","125","","12606","12614","10.1021/ja030221f","","","0.71073","MoKα","","0.0437","0.042","","","0.1385","0.1426","","","","","","1.106","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114250","8.8427","0.0006","14.0094","0.001","17.1887","0.0012","100.107","0.002","96.21","0.001","95.706","0.002","2068.7","0.3","273","2","273","2","","","","","","","","6","P 1","P 1","1","","","","- C48.5 H44 Cl2 N2 O2 Ru -","- C48.5 H44 Cl2 N2 O2 Ru -","- C97 H88 Cl4 N4 O4 Ru2 -","2","2","","Joshua J. Van Veldhuizen; Dennis G. Gillingham; Steven B. Garber; Osamu Kataoka; Amir H. Hoveyda","Chiral Ru-Based Complexes for Asymmetric Olefin Metathesis: Enhancement of Catalyst Activity through Steric and Electronic Modifications","Journal of the American Chemical Society","2003","125","","12502","12508","10.1021/ja0302228","","","0.71073","MoKα","","0.0359","0.034","","","0.0868","0.092","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114251","12.0416","0.0009","15.7116","0.0011","15.16","0.0011","90","","90","","90","","2868.2","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H18 O3 S -","- C15 H18 O3 S -","- C120 H144 O24 S8 -","8","2","","Shengming Ma; Junliang Zhang","2,3,4- or 2,3,5-Trisubstituted Furans: Catalyst-Controlled Highly Regioselective Ring-Opening Cycloisomerization Reaction of Cyclopropenyl Ketones","Journal of the American Chemical Society","2003","125","","12386","12387","10.1021/ja036616g","","","0.71073","MoKα","","0.0831","0.0446","","","0.0598","0.0666","","","","","","0.791","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114252","7.9303","0.0011","9.6961","0.0013","11.1246","0.0015","68.445","0.002","81.98","0.003","66.606","0.002","730.16","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 O3 S -","- C15 H18 O3 S -","- C30 H36 O6 S2 -","2","1","","Shengming Ma; Junliang Zhang","2,3,4- or 2,3,5-Trisubstituted Furans: Catalyst-Controlled Highly Regioselective Ring-Opening Cycloisomerization Reaction of Cyclopropenyl Ketones","Journal of the American Chemical Society","2003","125","","12386","12387","10.1021/ja036616g","","","0.71073","MoKα","","0.0708","0.0488","","","0.1119","0.1212","","","","","","0.911","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114253","9.793","0.007","16.613","0.006","25.393","0.003","90","","95","","90","","4115","3","294.2","","294.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H62 Cl3 Fe N6 O5 -","- C35 H62 Cl3 Fe N6 O5 -","- C140 H248 Cl12 Fe4 N24 O20 -","4","1","","Anindya Ghosh; Alexander D. Ryabov; Sherry M. Mayer; David C. Horner; Duane E. Prasuhn; Sayam Sen Gupta; Leonard Vuocolo; Caleb Culver; Michael P. Hendrich; Cliffton E. F. Rickard; Richard E. Norman; Colin P. Horwitz; Terrence J. Collins","Understanding the Mechanism of H±Induced Demetalation as a Design Strategy for Robust Iron(III) Peroxide-Activating Catalysts","Journal of the American Chemical Society","2003","125","","12378","12379","10.1021/ja0367344","","","0.7107","MoKα","","0.2128","0.089","","0.331","","0.117","","","4.238","","","2.42","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114254","22.3876","0.0002","22.3876","0.0002","14.8709","0.0002","90","","90","","90","","7453.36","0.14","150","2","150","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","[FeClDFB]{Et4N]2","","- C33 H56 Cl F2 Fe N6 O4 -","- C33 H56 Cl F2 Fe N6 O4 -","- C264 H448 Cl8 F16 Fe8 N48 O32 -","8","1","","Anindya Ghosh; Alexander D. Ryabov; Sherry M. Mayer; David C. Horner; Duane E. Prasuhn; Sayam Sen Gupta; Leonard Vuocolo; Caleb Culver; Michael P. Hendrich; Cliffton E. F. Rickard; Richard E. Norman; Colin P. Horwitz; Terrence J. Collins","Understanding the Mechanism of H±Induced Demetalation as a Design Strategy for Robust Iron(III) Peroxide-Activating Catalysts","Journal of the American Chemical Society","2003","125","","12378","12379","10.1021/ja0367344","","","0.71073","MoKα","","0.0617","0.0518","","","0.1366","0.1463","","","","","","1.019","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114255","9.8668","0.0003","15.9815","0.0004","13.1301","0.0004","90","","95.106","0.001","90","","2062.22","0.1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Complex PPh4 3(H2)0","","- C43 H48 Fe N4 O8 P -","- C43 H48 Fe N4 O8 P -","- C86 H96 Fe2 N8 O16 P2 -","2","1","","Anindya Ghosh; Alexander D. Ryabov; Sherry M. Mayer; David C. Horner; Duane E. Prasuhn; Sayam Sen Gupta; Leonard Vuocolo; Caleb Culver; Michael P. Hendrich; Cliffton E. F. Rickard; Richard E. Norman; Colin P. Horwitz; Terrence J. Collins","Understanding the Mechanism of H±Induced Demetalation as a Design Strategy for Robust Iron(III) Peroxide-Activating Catalysts","Journal of the American Chemical Society","2003","125","","12378","12379","10.1021/ja0367344","","","0.71073","MoKα","","0.037","0.0317","","","0.0733","0.0764","","","","","","1.019","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114256","11.459","0.008","13.782","0.009","14.696","0.005","90","","107.89","0.03","90","","2209","2","291.2","","291.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H53 F3 Ir2 O3 P2 S -","- C46 H51 F3 Ir2 O3 P2 S -","- C92 H102 F6 Ir4 O6 P4 S2 -","2","1","","Ken-ichi Fujita; Hirohide Nakaguma; Taro Hamada; Ryohei Yamaguchi","Inter- and Intramolecular Activation of Aromatic C-H Bonds by Diphosphine and Hydrido-Bridged Dinuclear Iridium Complexes","Journal of the American Chemical Society","2003","125","","12368","12369","10.1021/ja036929b","","","0.7107","MoKα","","0.0455","0.045","","0.044","","0.044","","","1.206","","","1.21","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114257","13.702","0.003","14.763","0.004","11.466","0.005","112.75","0.03","97.02","0.03","98.27","0.02","2076.1","1.3","203.2","","203.2","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H59 F3 Ir2 O3 P2 S -","- C39 H59 F3 Ir2 O3 P2 S -","- C78 H118 F6 Ir4 O6 P4 S2 -","2","1","","Ken-ichi Fujita; Hirohide Nakaguma; Taro Hamada; Ryohei Yamaguchi","Inter- and Intramolecular Activation of Aromatic C-H Bonds by Diphosphine and Hydrido-Bridged Dinuclear Iridium Complexes","Journal of the American Chemical Society","2003","125","","12368","12369","10.1021/ja036929b","","","0.7107","MoKα","","0.0302","0.03","","0.033","","0.033","","","1.302","","","1.3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114258","10.845","0.003","19.462","0.004","17.299","0.004","90","","107.7","0.02","90","","3478.4","1.5","203.2","","203.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H49 F3 Ir2 O4 P2 S -","- C30 H47 F3 Ir2 O4 P2 S -","- C120 H188 F12 Ir8 O16 P8 S4 -","4","2","","Ken-ichi Fujita; Hirohide Nakaguma; Taro Hamada; Ryohei Yamaguchi","Inter- and Intramolecular Activation of Aromatic C-H Bonds by Diphosphine and Hydrido-Bridged Dinuclear Iridium Complexes","Journal of the American Chemical Society","2003","125","","12368","12369","10.1021/ja036929b","","","0.7107","MoKα","","0.0326","0.033","","0.032","","0.032","","","1.183","","","1.18","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114259","28.961","0.006","9.605","0.0019","28.086","0.006","90","","91.17","0.03","90","","7811","3","301","2","301","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H36 Bi3 K1.5 N1.5 O30 -","- C18 H12 Bi3 K N2 O27 -","- C144 H96 Bi24 K8 N16 O216 -","8","1","","Wei Li; Lan Jin; Nianyong Zhu; Xuemei Hou; Feng Deng; Hongzhe Sun","Structure of Colloidal Bismuth Subcitrate (CBS) in Dilute HCl: Unique Assembly of Bismuth Citrate Dinuclear Units ([Bi(cit)2Bi]2-)","Journal of the American Chemical Society","2003","125","","12408","12409","10.1021/ja037019x","","","0.71073","MoKα","","0.0861","0.0603","","","0.1652","0.1802","","","","","","0.997","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114260","19.93","0.009","8.914","0.005","17.642","0.007","90","","95.87","0.03","90","","3118","3","297","1","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Fe N10 Nd O8 -","- C18 H28 Fe N10 Nd O8 -","- C72 H112 Fe4 N40 Nd4 O32 -","4","1","","Guangming Li; Takashiro Akitsu; Osamu Sato; Yasuaki Einaga","Photoinduced Magnetization of the Cyano-Bridged 3d-4f Heterobimetallic Assembly Nd(DMF)4(H2O)3(μ-CN)Fe(CN)5.H2O (DMF =N,N-Dimethylformamide)","Journal of the American Chemical Society","2003","125","","12396","12397","10.1021/ja037183k","","","0.71073","MoKα","","","0.0734","","","","0.1122","","","","","","3.654","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114261","14.345","0.012","5.09","0.004","33.68","0.03","90","","94.83","0.013","90","","2450","4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-dihydroxy-benzoic_acid_penta-2,4-diynyl_ester polymer N,N'bis-pyridin-4-ylmethyloxalamide","","- C26 H22 N4 O6 -","- C26 H22 N4 O6 -","- C104 H88 N16 O24 -","4","1","","Xi Ouyang; Frank W. Fowler; Joseph W. Lauher","Single-Crystal-to-Single-Crystal Topochemical Polymerizations of a Terminal Diacetylene: Two Remarkable Transformations Give the Same Conjugated Polymer","Journal of the American Chemical Society","2003","125","","12400","12401","10.1021/ja037557+","","","0.71073","MoKα","","0.2169","0.0861","","","0.1604","0.2211","","","","","","0.695","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114262","14.568","0.012","4.912","0.004","33.07","0.03","90","","91.913","0.013","90","","2365","3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3,5-dihydroxy-benzoic_acid_penta-2,4-diynyl_ester _polymer_N,N'bis-pyridin-4-ylmethyloxalamide","","","- C26 H22 N4 O6 -","- C26 H22 N4 O6 -","- C104 H88 N16 O24 -","4","1","","Xi Ouyang; Frank W. Fowler; Joseph W. Lauher","Single-Crystal-to-Single-Crystal Topochemical Polymerizations of a Terminal Diacetylene: Two Remarkable Transformations Give the Same Conjugated Polymer","Journal of the American Chemical Society","2003","125","","12400","12401","10.1021/ja037557+","","","0.71073","MoKα","","0.1961","0.0844","","","0.1901","0.2218","","","","","","0.774","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114263","4.7249","0.0013","7.878","0.002","30.482","0.008","90","","90.502","0.005","90","","1134.6","0.5","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,5-dihydroxy-benzoic_acid_penta-2,4-diynyl_ester_monohydrate","","","- C12 H10 O5 -","- C12 H10 O5 -","- C48 H40 O20 -","4","1","","Xi Ouyang; Frank W. Fowler; Joseph W. Lauher","Single-Crystal-to-Single-Crystal Topochemical Polymerizations of a Terminal Diacetylene: Two Remarkable Transformations Give the Same Conjugated Polymer","Journal of the American Chemical Society","2003","125","","12400","12401","10.1021/ja037557+","","","0.71073","MoKα","","0.0965","0.0575","","","0.1357","0.153","","","","","","0.844","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114264","4.876","0.0016","7.814","0.003","27.407","0.009","90","","87.203","0.007","90","","1043","0.6","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5-dihydroxy-benzoic_acid_penta-2,4-diynyl_ester_polymer_hydrate","","- C12 H10 O5 -","- C12 H10 O5 -","- C48 H40 O20 -","4","1","","Xi Ouyang; Frank W. Fowler; Joseph W. Lauher","Single-Crystal-to-Single-Crystal Topochemical Polymerizations of a Terminal Diacetylene: Two Remarkable Transformations Give the Same Conjugated Polymer","Journal of the American Chemical Society","2003","125","","12400","12401","10.1021/ja037557+","","","0.71073","MoKα","","0.1755","0.0674","","","0.1503","0.1794","","","","","","0.786","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114265","6.8","0.002","9.819","0.002","16.63","0.004","90","","90","","90","","1110.4","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","02286vv","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","","Hui Xiong; Jian Huang; Sunil K. Ghosh; Richard P. Hsung","Stereoselective Intramolecular [4 + 3] Cycloadditions of Nitrogen-Stabilized Chiral Oxyallyl Cations via Epoxidation of N-Tethered Allenamides","Journal of the American Chemical Society","2003","125","","12694","12695","10.1021/ja030416n","","","0.71073","MoKα","","0.0417","0.0325","","","0.0794","0.0873","","","","","","1.049","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114266","10.9417","0.0008","10.7162","0.0008","11.6477","0.0009","90","","90","","90","","1365.73","0.18","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","03081vv","","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C56 H76 N4 O16 -","4","1","","Hui Xiong; Jian Huang; Sunil K. Ghosh; Richard P. Hsung","Stereoselective Intramolecular [4 + 3] Cycloadditions of Nitrogen-Stabilized Chiral Oxyallyl Cations via Epoxidation of N-Tethered Allenamides","Journal of the American Chemical Society","2003","125","","12694","12695","10.1021/ja030416n","","","0.71073","MoKα","","0.034","0.0327","","","0.0873","0.0888","","","","","","1.041","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114267","9.139","0.0002","15.139","0.0005","22.115","0.0006","90","","94.278","0.002","90","","3051.2","0.15","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(trimethylsilyl)tetrahedranyllithium (N,N,N',N'-tetramethyletylenediamine)","","- C22 H51 Li N3 Si3 -","- C22 H51 Li N3 Si3 -","- C88 H204 Li4 N12 Si12 -","4","1","","Akira Sekiguchi; Masanobu Tanaka","Tetrahedranyllithium: Synthesis, Characterization, and Reactivity","Journal of the American Chemical Society","2003","125","","12684","12685","10.1021/ja030476t","","","0.7107","MoKα","","0.0426","0.0368","","","0.1012","0.1054","","","","","","1.033","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114268","16.4781","0.0007","16.4781","0.0007","15.9151","0.0008","90","","90","","120","","3742.4","0.3","93.1","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C45 H30 Ir N3 -","- C45 H30 Ir N3 -","- C180 H120 Ir4 N12 -","4","0.333333","","Akira Tsuboyama; Hironobu Iwawaki; Manabu Furugori; Taihei Mukaide; Jun Kamatani; Satoshi Igawa; Takashi Moriyama; Seishi Miura; Takao Takiguchi; Shinjiro Okada; Mikio Hoshino; Kazunori Ueno","Homoleptic Cyclometalated Iridium Complexes with Highly Efficient Red Phosphorescence and Application to Organic Light-Emitting Diode","Journal of the American Chemical Society","2003","125","","12971","12979","10.1021/ja034732d","","","0.7107","MoKα","","","0.031","","","","0.124","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114269","12.783","0.003","18.55","0.004","7.2338","0.0014","90","","101.687","0.005","90","","1679.8","0.6","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","glycine and pyridine-2-carboxylic acid(2-benzoyl-phenyl)-amide","","- C21 H15 N3 Ni O3 -","- C21 H15 N3 Ni O3 -","- C84 H60 N12 Ni4 O12 -","4","1","","Yuri N. Belokon; Natalia B. Bespalova; Tatiana D. Churkina; Ivana Císařová; Marina G. Ezernitskaya; Syuzanna R. Harutyunyan; Radim Hrdina; Henri B. Kagan; Pavel Kočovský; Konstantin A. Kochetkov; Oleg V. Larionov; Konstantin A. Lyssenko; Michael North; Miroslav Polášek; Alexander S. Peregudov; Vladimir V. Prisyazhnyuk; Štěpán Vyskočil","Synthesis of α-Amino Acids via Asymmetric Phase Transfer-Catalyzed Alkylation of Achiral Nickel(II) Complexes of Glycine-Derived Schiff Bases","Journal of the American Chemical Society","2003","125","","12860","12871","10.1021/ja035465e","","","0.71073","MoKα","","0.0761","0.0528","","","0.115","0.1228","","","","","","1.071","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114270","7.987","0.004","21.557","0.008","10.936","0.005","90","","110.403","0.009","90","","1764.8","1.4","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(R,S)-alanine and pyridine-2-carboxylic acid(2-benzoyl-phenyl)-amide","","- C22 H17 N3 Ni O3 -","- C22 H17 N3 Ni O3 -","- C88 H68 N12 Ni4 O12 -","4","1","","Yuri N. Belokon; Natalia B. Bespalova; Tatiana D. Churkina; Ivana Císařová; Marina G. Ezernitskaya; Syuzanna R. Harutyunyan; Radim Hrdina; Henri B. Kagan; Pavel Kočovský; Konstantin A. Kochetkov; Oleg V. Larionov; Konstantin A. Lyssenko; Michael North; Miroslav Polášek; Alexander S. Peregudov; Vladimir V. Prisyazhnyuk; Štěpán Vyskočil","Synthesis of α-Amino Acids via Asymmetric Phase Transfer-Catalyzed Alkylation of Achiral Nickel(II) Complexes of Glycine-Derived Schiff Bases","Journal of the American Chemical Society","2003","125","","12860","12871","10.1021/ja035465e","","","0.71073","MoKα","","0.1058","0.0537","","","0.1161","0.1341","","","","","","0.935","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114271","13.753","0.0003","14.139","0.0003","17.572","0.0003","90","","90","","90","","3416.94","0.12","150","2","150","2","","","","","","","synthesized by the authors","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C176 H136 N8 O16 -","8","2","","Yuri N. Belokon; Natalia B. Bespalova; Tatiana D. Churkina; Ivana Císařová; Marina G. Ezernitskaya; Syuzanna R. Harutyunyan; Radim Hrdina; Henri B. Kagan; Pavel Kočovský; Konstantin A. Kochetkov; Oleg V. Larionov; Konstantin A. Lyssenko; Michael North; Miroslav Polášek; Alexander S. Peregudov; Vladimir V. Prisyazhnyuk; Štěpán Vyskočil","Synthesis of α-Amino Acids via Asymmetric Phase Transfer-Catalyzed Alkylation of Achiral Nickel(II) Complexes of Glycine-Derived Schiff Bases","Journal of the American Chemical Society","2003","125","","12860","12871","10.1021/ja035465e","","","0.7107","MoKα","","0.0518","0.0434","","","0.0985","0.103","","","","","","1.064","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114272","11.173","0.0002","8.94","0.0002","11.669","0.0002","90","","98.011","0.0012","90","","1154.2","0.04","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C62 H58 N2 O4 -","2","1","","Yuri N. Belokon; Natalia B. Bespalova; Tatiana D. Churkina; Ivana Císařová; Marina G. Ezernitskaya; Syuzanna R. Harutyunyan; Radim Hrdina; Henri B. Kagan; Pavel Kočovský; Konstantin A. Kochetkov; Oleg V. Larionov; Konstantin A. Lyssenko; Michael North; Miroslav Polášek; Alexander S. Peregudov; Vladimir V. Prisyazhnyuk; Štěpán Vyskočil","Synthesis of α-Amino Acids via Asymmetric Phase Transfer-Catalyzed Alkylation of Achiral Nickel(II) Complexes of Glycine-Derived Schiff Bases","Journal of the American Chemical Society","2003","125","","12860","12871","10.1021/ja035465e","","","0.7107","MoKα","","0.0366","0.0333","","","0.0788","0.0813","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114273","7.75","0.0002","9.632","0.0002","13.403","0.0003","90","","102.561","0.0015","90","","976.56","0.04","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O2 -","- C25 H23 N O2 -","- C50 H46 N2 O4 -","2","1","","Yuri N. Belokon; Natalia B. Bespalova; Tatiana D. Churkina; Ivana Císařová; Marina G. Ezernitskaya; Syuzanna R. Harutyunyan; Radim Hrdina; Henri B. Kagan; Pavel Kočovský; Konstantin A. Kochetkov; Oleg V. Larionov; Konstantin A. Lyssenko; Michael North; Miroslav Polášek; Alexander S. Peregudov; Vladimir V. Prisyazhnyuk; Štěpán Vyskočil","Synthesis of α-Amino Acids via Asymmetric Phase Transfer-Catalyzed Alkylation of Achiral Nickel(II) Complexes of Glycine-Derived Schiff Bases","Journal of the American Chemical Society","2003","125","","12860","12871","10.1021/ja035465e","","","0.7107","MoKα","","0.0384","0.0351","","","0.0861","0.0885","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114274","20.631","0.0002","9.512","0.0002","16.837","0.0003","90","","96.24","0.0006","90","","3284.55","0.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H52 N4 O8 Zn4 -","- C24 H52 N4 O8 Zn4 -","- C96 H208 N16 O32 Zn16 -","4","0.5","","Janusz Lewiński; Wojciech Marciniak; Janusz Lipkowski; Iwona Justyniak","New Insights into the Reaction of Zinc Alkyls with Dioxygen","Journal of the American Chemical Society","2003","125","","12698","12699","10.1021/ja036020t","","","0.7107","MoKα","","0.0435","0.0342","","","0.0707","0.074","","","","","","1.124","","","","has coordinates","288091","2023-12-06","15:51:22",""
"4114275","22.5","0.003","22.5","0.003","19.7","0.004","90","","90","","120","","8637","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H42 O8 Zn7 -","- C14 H41.985 O8 Zn7 -","- C168 H503.82 O96 Zn84 -","12","0.666667","","Janusz Lewiński; Wojciech Marciniak; Janusz Lipkowski; Iwona Justyniak","New Insights into the Reaction of Zinc Alkyls with Dioxygen","Journal of the American Chemical Society","2003","125","","12698","12699","10.1021/ja036020t","","","0.71073","MoKα","","0.0513","0.0398","","","0.0819","0.0863","","","","","","1.248","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114276","8.447","0.0009","9.4655","0.001","22.508","0.002","90","","92.254","0.002","90","","1798.2","0.3","98","","98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 F6 N2 Pt S -","- C16 H16 F6 N2 Pt S -","- C64 H64 F24 N8 Pt4 S4 -","4","1","","Carl N. Iverson; Charles A. G. Carter; R. Tom Baker; John D. Scollard; Jay A. Labinger; John E. Bercaw","C-H Bond Activation by Unsymmetrical 2-(N-Arylimino)pyrrolide Pt Complexes: Geometric Effects on Reactivity","Journal of the American Chemical Society","2003","125","","12674","12675","10.1021/ja036511d","","","0.71073","MoKα","","0.0447","0.0296","","","0.0456","0.0474","","","","","","1.211","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114277","24.0988","0.0018","11.5512","0.0009","42.783","0.003","90","","90.917","0.001","90","","11908","1.5","98","","98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N3 Pt -","- C20 H24 N3 Pt -","- C480 H576 N72 Pt24 -","24","6","","Carl N. Iverson; Charles A. G. Carter; R. Tom Baker; John D. Scollard; Jay A. Labinger; John E. Bercaw","C-H Bond Activation by Unsymmetrical 2-(N-Arylimino)pyrrolide Pt Complexes: Geometric Effects on Reactivity","Journal of the American Chemical Society","2003","125","","12674","12675","10.1021/ja036511d","","","0.71073","MoKα","","0.072","0.0442","","","0.0694","0.0724","","","","","","1.306","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114278","33.341","0.006","14.642","0.003","21.305","0.004","90","","90","","90","","10401","3","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","(n-Bu4N)[Fe(Tripyrrole)(Cl)].1.5Cyclohexane 0.5H2O","","","- C52 H87 Cl Fe N4 O3.5 -","- C52 H86 Cl Fe N4 O3.495 -","- C416 H688 Cl8 Fe8 N32 O27.96 -","8","2","","Sankar Prasad Rath; Marilyn M. Olmstead; Lechoslaw Latos-Grażyński; Alan L. Balch","Formation and Isolation of an Iron-Tripyrrole Complex from Heme Degradation","Journal of the American Chemical Society","2003","125","","12678","12679","10.1021/ja036656k","","","0.71073","MoKα","","0.1609","0.1105","","","0.2769","0.3049","","","","","","1.055","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114279","13.659","0.0006","8.427","0.0003","18.642","0.0009","90","","90","","90","","2145.78","0.16","120","","120","","","","","","","","?","6","P n n b","-P 2b 2n","52","","","","- C14 H12 F5 N3 O13 Th2 -","- C14 H12 F5 N3 O13 Th2 -","- C56 H48 F20 N12 O52 Th8 -","4","0.5","","Jong-Young Kim; Alexander J. Norquist; Dermot O'Hare","[(Th2F5)(NC7H5O4)2(H2O)][NO3]: An Actinide-Organic Open Framework","Journal of the American Chemical Society","2003","125","","12688","12689","10.1021/ja036832p","","","0.71073","MoKα","","0.078","0.0282","","0.0611","0.05","0.05","","","","","","0.9224","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114280","9.167","0.001","7.5255","0.0006","10.327","0.001","90","","97.571","0.005","90","","706.21","0.12","293","2","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B F4 Fe N3 O3 -","- B F4 Fe N3 O3 -","- B4 F16 Fe4 N12 O12 -","4","1","","Trevor W. Hayton; W. Stephen McNeil; Brian O. Patrick; Peter Legzdins","Toward Binary Nitrosyls: Distinctly Bent Fe-N-O Linkages in Base-Stabilized Fe(NO)3+ Complexes","Journal of the American Chemical Society","2003","125","","12935","12944","10.1021/ja036887r","","","0.71069","MoKα","","0.0424","0.0318","","","0.0759","0.0801","","","","","","1.085","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114281","7.472","0.001","7.539","0.001","12.357","0.001","73.44","0.01","89.41","0.01","61.11","0.01","577.41","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C3 H5 F6 Fe N4 O3 P -","- C3 H5 F6 Fe N4 O3 P -","- C6 H10 F12 Fe2 N8 O6 P2 -","2","1","","Trevor W. Hayton; W. Stephen McNeil; Brian O. Patrick; Peter Legzdins","Toward Binary Nitrosyls: Distinctly Bent Fe-N-O Linkages in Base-Stabilized Fe(NO)3+ Complexes","Journal of the American Chemical Society","2003","125","","12935","12944","10.1021/ja036887r","","","0.71073","MoKα","","0.0871","0.0682","","","0.1912","0.2017","","","","","","1.083","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114282","7.1701","0.0015","7.1701","0.0015","6.0403","0.0012","90","","90","","120","","268.93","0.1","293","2","173","1","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Cl Fe N3 O3 -","- Cl Fe N3 O3 -","- Cl2 Fe2 N6 O6 -","2","0.166667","","Trevor W. Hayton; W. Stephen McNeil; Brian O. Patrick; Peter Legzdins","Toward Binary Nitrosyls: Distinctly Bent Fe-N-O Linkages in Base-Stabilized Fe(NO)3+ Complexes","Journal of the American Chemical Society","2003","125","","12935","12944","10.1021/ja036887r","","","0.71069","MoKα","","0.0241","0.0241","","","0.0583","0.0583","","","","","","1.212","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114283","22.81","0.003","7.5762","0.0012","8.8993","0.0014","90","","90","","90","","1537.9","0.4","293","2","173","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C0 F8 Fe2 N6 O8 P2 -","- F8 Fe2 N6 O8 P2 -","- F32 Fe8 N24 O32 P8 -","4","1","","Trevor W. Hayton; W. Stephen McNeil; Brian O. Patrick; Peter Legzdins","Toward Binary Nitrosyls: Distinctly Bent Fe-N-O Linkages in Base-Stabilized Fe(NO)3+ Complexes","Journal of the American Chemical Society","2003","125","","12935","12944","10.1021/ja036887r","","","0.71069","MoKα","","0.0558","0.0487","","","0.109","0.1144","","","","","","1.127","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114284","13.8487","0.0003","13.8487","0.0003","57.189","0.002","90","","90","","90","","10968.1","0.5","213","2","213","2","","","","","","","","9","P 41","P 4w","76","[Mo2(DAniF)3]2Zn(OCH3)4(PF6),4(CH2Cl2)","","","- C98 H110 Cl8 F6 Mo4 N12 O16 P Zn -","- C98 H110 Cl8 F6 Mo4 N12 O16 P Zn -","- C392 H440 Cl32 F24 Mo16 N48 O64 P4 Zn4 -","4","1","","F. Albert Cotton; Naresh S. Dalal; Chun Y. Liu; Carlos A. Murillo; J. Micah North; Xiaoping Wang","Fully Localized Mixed-Valence Oxidation Products of Molecules Containing Two Linked Dimolybdenum Units: An Effective Structural Criterion","Journal of the American Chemical Society","2003","125","","12945","12952","10.1021/ja036920+","","","0.71073","MoKα","","0.0785","0.0696","","","0.1619","0.1673","","","","","","1.092","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114285","13.8316","0.0003","13.8316","0.0003","57.273","0.002","90","","90","","90","","10957.1","0.5","213","2","213","2","","","","","","","","9","P 41","P 4w","76","[Mo2(DAniF)3]2Co(OCH3)4(PF6),4(CH2Cl2)","","","- C98 H110 Cl8 Co F6 Mo4 N12 O16 P -","- C98 H110 Cl8 Co F6 Mo4 N12 O16 P -","- C392 H440 Cl32 Co4 F24 Mo16 N48 O64 P4 -","4","1","","F. Albert Cotton; Naresh S. Dalal; Chun Y. Liu; Carlos A. Murillo; J. Micah North; Xiaoping Wang","Fully Localized Mixed-Valence Oxidation Products of Molecules Containing Two Linked Dimolybdenum Units: An Effective Structural Criterion","Journal of the American Chemical Society","2003","125","","12945","12952","10.1021/ja036920+","","","0.71073","MoKα","","0.0486","0.0426","","","0.098","0.102","","","","","","1.076","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114286","34.4726","0.0015","15.2086","0.0007","44.285","0.002","90","","105.497","0.001","90","","22373.6","1.7","213","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","[Mo2(DAniF)3]2Zn(OCH3)3(OH)(PF6)2,3.44(CH2Cl2)","","","- C96.44 H109.88 Cl6.88 F12 Mo4 N12 O16 P2 Zn -","- C96.44 H96 Cl6.881 F12 Mo4 N12 O16 P2 Zn -","- C771.52 H768 Cl55.048 F96 Mo32 N96 O128 P16 Zn8 -","8","1","","F. Albert Cotton; Naresh S. Dalal; Chun Y. Liu; Carlos A. Murillo; J. Micah North; Xiaoping Wang","Fully Localized Mixed-Valence Oxidation Products of Molecules Containing Two Linked Dimolybdenum Units: An Effective Structural Criterion","Journal of the American Chemical Society","2003","125","","12945","12952","10.1021/ja036920+","","","0.71073","MoKα","","0.0855","0.0667","","","0.1316","0.1402","","","","","","1.094","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114287","9.716","0.007","13.917","0.009","14.745","0.01","101.404","0.011","98.752","0.011","91.087","0.009","1929","2","193.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H35 Cu3 N3 P S3 W -","- C37 H35 Cu3 N3 P S3 W -","- C74 H70 Cu6 N6 P2 S6 W2 -","2","1","","Jian-Ping Lang; Qing-Feng Xu; Zhong-Ning Chen; Brendan F. Abrahams","Assembly of a Supramolecular Cube, [(Cp*WS3Cu3)8Cl8(CN)12Li4] from a Preformed Incomplete Cubane-like Compound [PPh4][Cp*WS3(CuCN)3]","Journal of the American Chemical Society","2003","125","","12682","12683","10.1021/ja036995d","","","0.7107","MoKα","","","0.059","","","","0.064","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114288","17.131","0.003","17.131","0.003","33.136","0.009","90","","90","","90","","9724","4","193.1","","","","","","","","","","","9","I 4/m","-I 4","87","","","","- C124 H193 Cl8 Cu24 Li6 N18 O8.5 S24 W8 -","- C94 H120 Cl8 Cu24 Li6 N14 S24 W8 -","- C188 H240 Cl16 Cu48 Li12 N28 S48 W16 -","2","0.125","","Jian-Ping Lang; Qing-Feng Xu; Zhong-Ning Chen; Brendan F. Abrahams","Assembly of a Supramolecular Cube, [(Cp*WS3Cu3)8Cl8(CN)12Li4] from a Preformed Incomplete Cubane-like Compound [PPh4][Cp*WS3(CuCN)3]","Journal of the American Chemical Society","2003","125","","12682","12683","10.1021/ja036995d","","","0.7107","MoKα","","","0.063","","","","0.072","","","","","","1.197","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114289","12.6464","0.0004","12.0047","0.0004","15.3782","0.0006","90","","94.742","0.001","90","","2326.67","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dmcrcnc","","","- C18 H23 Cl5 Cr N5 -","- C18 H23 Cl5 Cr N5 -","- C72 H92 Cl20 Cr4 N20 -","4","1","","David S. McGuinness; Vernon C. Gibson; Duncan F. Wass; Jonathan W. Steed","Bis(carbene)pyridine Complexes of Cr(III): Exceptionally Active Catalysts for the Oligomerization of Ethylene","Journal of the American Chemical Society","2003","125","","12716","12717","10.1021/ja037217o","","","0.71073","MoKα","","0.1282","0.0632","","","0.1506","0.1795","","","","","","1.025","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114290","23.625","0.004","10.4889","0.0015","10.5495","0.0015","90","","101.302","0.005","90","","2563.5","0.7","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H32 Cu N2 O6 -","- C27 H29 Cu N2 O6.5 -","- C108 H116 Cu4 N8 O26 -","4","1","","David A. Evans; Daniel Seidel; Magnus Rueping; Hon Wai Lam; Jared T. Shaw; C. Wade Downey","A New Copper Acetate-Bis(oxazoline)-Catalyzed, Enantioselective Henry Reaction","Journal of the American Chemical Society","2003","125","","12692","12693","10.1021/ja0373871","","","0.71073","MoKα","","0.04","0.0336","","","0.0785","0.0808","","","","","","0.938","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114291","15.8823","0.0011","12.4917","0.0009","21.3487","0.0015","90","","109.591","0.002","90","","3990.3","0.5","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Cl6 Fe I2 P2 Pd -","- C28 H46 Cl6 Fe I2 P2 Pd -","- C112 H184 Cl24 Fe4 I8 P8 Pd4 -","4","1","","Eric Fillion; Nicholas J. Taylor","Cine-Substitution in the Stille Coupling: Evidence for the Carbenoid Reactivity of sp3-gem-Organodimetallic Iodopalladio-trialkylstannylalkane Intermediates","Journal of the American Chemical Society","2003","125","","12700","12701","10.1021/ja037409j","","","0.71073","MoKα","","0.0592","0.0494","","","0.0841","0.0866","","","","","","1.371","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114292","26.58","0.02","12.026","0.004","22","0.01","90","","127.48","0.01","90","","5581","5","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C53 H76 N4 O10 S4 -","- C53 H76 N4 O10 S4 -","- C212 H304 N16 O40 S16 -","4","1","","Stefan Koep; Hans-Joachim Gais; Gerhard Raabe","Asymmetric Synthesis of Unsaturated, Fused Bicyclic Proline Analogues through Amino Alkylation of Cyclic Bis(allylsulfoximine)titanium Complexes and Migratory Cyclization of δ-Amino Alkenyl Aminosulfoxonium Salts","Journal of the American Chemical Society","2003","125","","13243","13251","10.1021/ja030324y","","","1.54179","CuKα","","0.059","0.057","","0.145","","0.144","","","1.099","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4114293","8.317","0.004","10.069","0.004","12.645","0.005","90.143","0.008","94.813","0.008","112.329","0.008","975.4","0.7","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 Cl6 -","- C20 H18 Cl6 -","- C40 H36 Cl12 -","2","1","","Joseph D. Rule; Scott R. Wilson; Jeffrey S. Moore","Radical Polymerization Initiated by Bergman Cyclization","Journal of the American Chemical Society","2003","125","","12992","12993","10.1021/ja0359198","","","0.71073","MoKα","","0.1578","0.0553","","","0.0865","0.1042","","","","","","0.839","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4114294","6.9798","0.0017","10.934","0.003","10.495","0.003","90","","90.905","0.004","90","","800.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 Cl2 N2 Pd -","- C12 H30 Cl2 N2 Pd -","- C24 H60 Cl4 N4 Pd2 -","2","0.5","","Vitaliy I. Timokhin; Natia R. Anastasi; Shannon S. Stahl","Dioxygen-Coupled Oxidative Amination of Styrene","Journal of the American Chemical Society","2003","125","","12996","12997","10.1021/ja0362149","","","0.71073","MoKα","","0.0237","0.0226","","","0.0597","0.0606","","","","","","1.047","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114295","14.983","0.002","20.812","0.006","5.729","0.004","90.11","0.04","89.99","0.03","89.99","0.02","1786.4","1.4","298.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 Br O2 Si -","- C16 H21 Br O2 Si -","- C64 H84 Br4 O8 Si4 -","4","1","","Wei-Wei Liao; Kai Li; Yong Tang","Controllable Diastereoselective Cyclopropanation. Enantioselective Synthesis of Vinylcyclopropanes via Chiral Telluronium Ylides","Journal of the American Chemical Society","2003","125","","13030","13031","10.1021/ja036254c","","","0.7107","MoKα","","","0.042","","","","0.043","","","","","","0.74","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114296","11.8162","0.001","14.1277","0.0011","10.3477","0.0008","90","","90","","90","","1727.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H25 Br Si Te -","- C12 H25 Br Si Te -","- C48 H100 Br4 Si4 Te4 -","4","1","","Wei-Wei Liao; Kai Li; Yong Tang","Controllable Diastereoselective Cyclopropanation. Enantioselective Synthesis of Vinylcyclopropanes via Chiral Telluronium Ylides","Journal of the American Chemical Society","2003","125","","13030","13031","10.1021/ja036254c","","","0.71073","MoKα","","0.0646","0.0392","","","0.0667","0.072","","","","","","0.812","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114297","6.1465","0.0005","16.5995","0.0014","19.958","0.0016","90","","90","","90","","2036.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Br O Si -","- C21 H23 Br O Si -","- C84 H92 Br4 O4 Si4 -","4","1","","Wei-Wei Liao; Kai Li; Yong Tang","Controllable Diastereoselective Cyclopropanation. Enantioselective Synthesis of Vinylcyclopropanes via Chiral Telluronium Ylides","Journal of the American Chemical Society","2003","125","","13030","13031","10.1021/ja036254c","","","0.71073","MoKα","","0.0837","0.038","","","0.0557","0.0612","","","","","","0.746","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114298","6.8502","0.0003","12.676","0.004","14.0451","0.0003","90","","90","","90","","1219.6","0.4","273.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Barry M. Trost; Oliver R. Thiel; Hon-Chung Tsui","Total Syntheses of Furaquinocin A, B, and E","Journal of the American Chemical Society","2003","125","","13155","13164","10.1021/ja0364118","","","0.7107","MoKα","","","0.041","","","","0.098","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114299","11.589","0.003","14.135","0.004","19.59","0.006","108.786","0.006","94.938","0.006","104.164","0.005","2897.8","1.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C63.5 H53 Cl4 Mn2 N4 O10 -","- C63.5 H53 Cl4 Mn2 N4 O10 -","- C127 H106 Cl8 Mn4 N8 O20 -","2","1","","Sumitra Mukhopadhyay; William H. Armstrong","Multinuclear Oxo-Bridged Manganese Complexes with a Bulky Substituted Benzoate Ligand: Novel Species Obtained by Using Steric Control","Journal of the American Chemical Society","2003","125","","13010","13011","10.1021/ja036490n","","","0.71073","MoKα","","0.0861","0.0566","","","0.1341","0.1508","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114300","15.4471","0.0008","15.0773","0.0009","27.7033","0.0017","90","","91.679","0.002","90","","6449.3","0.6","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C118 H106 F12 Mn6 N12 O24 S4 -","- C118 H106 F12 Mn6 N12 O24 S4 -","- C236 H212 F24 Mn12 N24 O48 S8 -","2","0.5","","Sumitra Mukhopadhyay; William H. Armstrong","Multinuclear Oxo-Bridged Manganese Complexes with a Bulky Substituted Benzoate Ligand: Novel Species Obtained by Using Steric Control","Journal of the American Chemical Society","2003","125","","13010","13011","10.1021/ja036490n","","","0.71073","MoKα","","0.1599","0.077","","","0.2012","0.2495","","","","","","1.004","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114301","9.952","0.002","19.642","0.004","14.316","0.003","90","","90.39","0.03","90","","2798.4","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H39 Mo2 O2 P -","- C30 H39 Mo2 O2 P -","- C120 H156 Mo8 O8 P4 -","4","1","","M. Esther García; Víctor Riera; Miguel A. Ruiz; David Sáez; Hayrullo Hamidov; John C. Jeffery; Thomas Riis-Johannessen","Ten-Electron Coordination and Reactivity of an Arylphosphinidene Ligand","Journal of the American Chemical Society","2003","125","","13044","13045","10.1021/ja037293r","","","0.71073","MoKα","","0.0216","0.0194","","","0.0493","0.05","","","","","","1.051","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114302","15.1853","0.0003","21.1676","0.0005","19.476","0.0004","90","","98.695","0.001","90","","6188.3","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H52 B F24 Mo2 O2 P -","- C62 H52 B F24 Mo2 O2 P -","- C248 H208 B4 F96 Mo8 O8 P4 -","4","1","","M. Esther García; Víctor Riera; Miguel A. Ruiz; David Sáez; Hayrullo Hamidov; John C. Jeffery; Thomas Riis-Johannessen","Ten-Electron Coordination and Reactivity of an Arylphosphinidene Ligand","Journal of the American Chemical Society","2003","125","","13044","13045","10.1021/ja037293r","","","1.54185","CuKα","","0.0452","0.0329","","","0.0717","0.0749","","","","","","0.91","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114303","9.409","0.002","11.449","0.003","13.198","0.003","119.27","0.02","112.33","0.02","83.36","0.02","1142.9","0.6","93.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 B F4 I O7 -","- C18 H30 B F4 I O7 -","- C36 H60 B2 F8 I2 O14 -","2","1","","Masahito Ochiai; Kazunori Miyamoto; Motoo Shiro; Tomoyuki Ozawa; Kentaro Yamaguchi","Isolation, Characterization, and Reaction of Activated Iodosylbenzene Monomer Hydroxy(phenyl)iodonium Ion with Hypervalent Bonding: Supramolecular Complex PhI+OH.18-Crown-6 with Secondary I...O Interactions","Journal of the American Chemical Society","2003","125","","13006","13007","10.1021/ja0377899","","","0.7107","MoKα","","","0.0252","","","","0.0827","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114304","16.4042","0.0013","9.1502","0.0011","21.1802","0.0015","90","","90","","90","","3179.2","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H13 Cl2 N O2 S -","- C15 H13 Cl2 N O2 S -","- C120 H104 Cl16 N8 O16 S8 -","8","1","","Subramanian Karur; S. R. S. Saibabu Kotti; Xin Xu; John F. Cannon; Allan Headley; Guigen Li","A Catalytic Reaction of Alkynes via Multiple-Site Functionalization","Journal of the American Chemical Society","2003","125","","13340","13341","10.1021/ja0304188","","","0.71073","MoKα","","0.0939","0.0511","","","0.1132","0.133","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114305","46.377","0.0018","16.843","0.0003","28.779","0.0011","90","","121.573","0.002","90","","19152.4","1.2","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(18-crown-6)potassium tris{bis[bis(trimethylsilyl)methyl](methyl)silyl} tetrasilatetrahedranide","","- C59.5 H153 K O6 Si19 -","- C59.5 H153 K O6 Si19 -","- C476 H1224 K8 O48 Si152 -","8","1","","Masaaki Ichinohe; Masafumi Toyoshima; Rei Kinjo; Akira Sekiguchi","Tetrasilatetrahedranide: A Silicon Cage Anion","Journal of the American Chemical Society","2003","125","","13328","13329","10.1021/ja0305050","","","0.7107","MoKα","","0.1146","0.0667","","","0.1697","0.2004","","","","","","0.994","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114306","23.84","0.0008","5.962","0.0002","22.529","0.001","90","","93.761","0.0012","90","","3195.2","0.2","130","2","130","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2,7-Bis(4'-tert-butylphenyl)-4,9-diphenylanthrazoline","2,7-Bis(4'-tert-butylphenyl)-4,9-diphenylanthrazoline","","- C44 H38 N2 -","- C44 H40 N2 -","- C176 H160 N8 -","4","0.5","","Christopher J. Tonzola; Maksudul M. Alam; Werner Kaminsky; Samson A. Jenekhe","New n-Type Organic Semiconductors: Synthesis, Single Crystal Structures, Cyclic Voltammetry, Photophysics, Electron Transport, and Electroluminescence of a Series of Diphenylanthrazolines","Journal of the American Chemical Society","2003","125","","13548","13558","10.1021/ja036314e","","","0.71073","MoKα","","0.0488","0.035","","","0.085","0.0923","","","","","","1.051","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114307","14.291","0.001","5.837","0.0004","21.752","0.002","90","","104.231","0.003","90","","1758.8","0.2","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,7-Bis(4'-n-hexylphenyl)-4,9-diphenylanthrazoline","2,7-Bis(4'-n-hexylphenyl)-4,9-diphenylanthrazoline","","- C48 H48 N2 -","- C48 H48 N2 -","- C96 H96 N4 -","2","0.5","","Christopher J. Tonzola; Maksudul M. Alam; Werner Kaminsky; Samson A. Jenekhe","New n-Type Organic Semiconductors: Synthesis, Single Crystal Structures, Cyclic Voltammetry, Photophysics, Electron Transport, and Electroluminescence of a Series of Diphenylanthrazolines","Journal of the American Chemical Society","2003","125","","13548","13558","10.1021/ja036314e","","","0.71073","MoKα","","0.1176","0.0657","","","0.1514","0.1825","","","","","","1.018","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114308","12.758","0.0008","4.868","0.0006","21.476","0.002","90","","95.856","0.002","90","","1326.8","0.2","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,7-Bis(4'-methoxyphenyl)-4,9-diphenylanthrazoline","2,7-Bis(4'-methoxyphenyl)-4,9-diphenylanthrazoline","","- C38 H28 N2 O2 -","- C38 H28 N2 O2 -","- C76 H56 N4 O4 -","2","0.5","","Christopher J. Tonzola; Maksudul M. Alam; Werner Kaminsky; Samson A. Jenekhe","New n-Type Organic Semiconductors: Synthesis, Single Crystal Structures, Cyclic Voltammetry, Photophysics, Electron Transport, and Electroluminescence of a Series of Diphenylanthrazolines","Journal of the American Chemical Society","2003","125","","13548","13558","10.1021/ja036314e","","","0.71073","MoKα","","0.1205","0.0508","","","0.1058","0.1332","","","","","","0.933","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114309","16.313","0.0015","9.8226","0.0009","9.3062","0.0009","90","","97.01","0.002","90","","1480","0.2","300","2","300","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C16 H36 Cu2 F12 N6 O4 P2 -","- C16 H36 Cu2 F12 N6 O4 P2 -","- C32 H72 Cu4 F24 N12 O8 P4 -","2","0.5","","Julia E. Barker; Yu Liu; Nicole D. Martin; Tong Ren","Dicopper-[18]ane-N6 Complex as the Platform for Phosphate Monoester Binding","Journal of the American Chemical Society","2003","125","","13332","13333","10.1021/ja036407w","","","0.71073","MoKα","","0.0523","0.0479","","","0.1368","0.1433","","","","","","1.037","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114310","7.3995","0.0007","10.71","0.001","17.683","0.0017","90","","99.086","0.002","90","","1383.8","0.2","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H48 Cu2 N6 O16 P2 -","- C12 H32 Cu2 N6 O16 P2 -","- C24 H64 Cu4 N12 O32 P4 -","2","0.5","","Julia E. Barker; Yu Liu; Nicole D. Martin; Tong Ren","Dicopper-[18]ane-N6 Complex as the Platform for Phosphate Monoester Binding","Journal of the American Chemical Society","2003","125","","13332","13333","10.1021/ja036407w","","","0.71073","MoKα","","0.0633","0.0462","","","0.1173","0.1228","","","","","","1.016","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114311","11.4848","0.0007","16.6537","0.0009","18.2556","0.0011","90","","90","","90","","3491.6","0.4","300","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H52 Cu2 N6 O14 P2 -","- C24 H40 Cu2 N6 O14 P2 -","- C96 H160 Cu8 N24 O56 P8 -","4","0.5","","Julia E. Barker; Yu Liu; Nicole D. Martin; Tong Ren","Dicopper-[18]ane-N6 Complex as the Platform for Phosphate Monoester Binding","Journal of the American Chemical Society","2003","125","","13332","13333","10.1021/ja036407w","","","0.71073","MoKα","","0.0929","0.05","","","0.1228","0.1344","","","","","","1.03","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114312","23.187","0.008","8.135","0.002","18.158","0.007","90","","106.72","0.02","90","","3280.3","1.9","300","2","300","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H54 Cu2 N6 O17 P2 -","- C18 H44 Cu2 N6 O17 P2 -","- C72 H176 Cu8 N24 O68 P8 -","4","1","","Julia E. Barker; Yu Liu; Nicole D. Martin; Tong Ren","Dicopper-[18]ane-N6 Complex as the Platform for Phosphate Monoester Binding","Journal of the American Chemical Society","2003","125","","13332","13333","10.1021/ja036407w","","","0.71073","MoKα","","0.0687","0.0627","","","0.1588","0.1648","","","","","","1.034","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114313","9.938","0.001","41.791","0.004","10.8866","0.0011","90","","95.386","0.002","90","","4501.4","0.8","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H48 Mo2 N6 O8 -","- C47 H48 Mo2 N6 O8 -","- C188 H192 Mo8 N24 O32 -","4","1","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Modifying Electronic Communication in Dimolybdenum Units by Linkage Isomers of Bridged Oxamidate Dianions","Journal of the American Chemical Society","2003","125","","13564","13575","10.1021/ja036884e","","","0.71073","MoKα","","0.0728","0.0649","","","0.1451","0.1491","","","","","","1.089","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114314","20.5501","0.0013","18.9896","0.0012","28.821","0.0018","90","","105.4","0.001","90","","10843.2","1.2","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Mo2(DAniF)3]2(C16H14N2O4),2(CH2Cl2)","","","- C108 H108 Cl4 Mo4 N14 O16 -","- C108 H106 Cl4 Mo4 N14 O16 -","- C432 H424 Cl16 Mo16 N56 O64 -","4","0.5","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Modifying Electronic Communication in Dimolybdenum Units by Linkage Isomers of Bridged Oxamidate Dianions","Journal of the American Chemical Society","2003","125","","13564","13575","10.1021/ja036884e","","","0.71073","MoKα","","0.0882","0.0638","","","0.1647","0.1854","","","","","","1.072","","","","has coordinates,has disorder","178914","2020-10-21","18:00:00",""
"4114315","30.8134","0.0019","12.3766","0.0008","28.069","0.0017","90","","106.751","0.001","90","","10250.3","1.1","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Mo2(DAniF)3]2(C14H10N2O2),2(CH2Cl2)","","","- C106 H104 Cl4 Mo4 N14 O14 -","- C106 H100 Cl4 Mo4 N14 O14 -","- C424 H400 Cl16 Mo16 N56 O56 -","4","0.5","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Modifying Electronic Communication in Dimolybdenum Units by Linkage Isomers of Bridged Oxamidate Dianions","Journal of the American Chemical Society","2003","125","","13564","13575","10.1021/ja036884e","","","0.71073","MoKα","","0.0445","0.0356","","","0.0903","0.0973","","","","","","1.068","","","","has coordinates,has disorder","178914","2020-10-21","18:00:00",""
"4114316","30.833","0.002","12.4356","0.0008","28.0484","0.0019","90","","100.423","0.001","90","","10577","1.2","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Mo2(DAniF)3]2(C16H14N2O2),2(CH2Cl2)","","","- C108 H108 Cl4 Mo4 N14 O16 -","- C108.001 H104 Cl3.9992 Mo4 N14 O16 -","- C432.004 H416 Cl15.9968 Mo16 N56 O64 -","4","0.5","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Modifying Electronic Communication in Dimolybdenum Units by Linkage Isomers of Bridged Oxamidate Dianions","Journal of the American Chemical Society","2003","125","","13564","13575","10.1021/ja036884e","","","0.71073","MoKα","","0.049","0.0375","","","0.0812","0.0881","","","","","","1.082","","","","has coordinates,has disorder","178914","2020-10-21","18:00:00",""
"4114317","12.3488","0.0014","12.3488","0.0014","12.3488","0.0014","90","","90","","90","","1883.1","0.4","122","1","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","bis(tetramethylammonium)tetrachloronitridochromate(V)hydrate","","- C8 H26 Cl4 Cr N3 O -","- C8 H49.56 Cl4.02 Cr1.02 N3.02 O0.96 -","- C32 H198.24 Cl16.08 Cr4.08 N12.08 O3.84 -","4","0.0208333","","Jesper Bendix","[Cr(N)Cl4]2-: A Simple Nitrido Complex Synthesized by Nitrogen-Atom Transfer","Journal of the American Chemical Society","2003","125","","13348","13349","10.1021/ja0371000","","x-ray","0.71073","MoKα","","0.0714","0.0703","","","0.2184","0.2201","","","","","","1.197","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4114318","9.223","0.004","8.553","0.004","10.143","0.005","90","","117.04","0.04","90","","712.7","0.6","223","2","223","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C34 H40 N4 -","2","1","","Patrick Bazinet; Glenn P. A. Yap; Darrin S. Richeson","Constructing a Stable Carbene with a Novel Topology and Electronic Framework","Journal of the American Chemical Society","2003","125","","13314","13315","10.1021/ja0372661","","","0.71073","MoKα","","0.088","0.0759","","","0.2471","0.2596","","","","","","1.035","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114319","10.241","0.002","16.129","0.003","14.067","0.003","90","","104.722","0.004","90","","2247.3","0.8","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 Cl N2 Rh -","- C25 H32 Cl N2 Rh -","- C100 H128 Cl4 N8 Rh4 -","4","1","","Patrick Bazinet; Glenn P. A. Yap; Darrin S. Richeson","Constructing a Stable Carbene with a Novel Topology and Electronic Framework","Journal of the American Chemical Society","2003","125","","13314","13315","10.1021/ja0372661","","","0.71073","MoKα","","0.0922","0.0724","","","0.1916","0.2037","","","","","","1.043","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114320","16.0423","0.0015","16.0437","0.0016","21.991","0.002","90","","98.632","0.002","90","","5595.9","0.9","295","2","295","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C17 H20 O -","- C17 H20 O -","- C272 H320 O16 -","16","4","","Gireesh M. Mahandru; Andy R. L. Skauge; Sanjoy K. Chowdhury; Kande K. D. Amarasinghe; Mary Jane Heeg; John Montgomery","Cascade Cyclizations and Couplings Involving Nickel Enolates","Journal of the American Chemical Society","2003","125","","13481","13485","10.1021/ja037423w","","","0.71073","MoKα","","0.2863","0.0599","","","0.1491","0.2117","","","","","","0.766","","","","has coordinates,has disorder","178914","2020-10-21","18:00:00",""
"4114321","9.8636","0.0011","5.7493","0.0007","25.496","0.003","90","","99.645","0.002","90","","1425.4","0.3","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","Gireesh M. Mahandru; Andy R. L. Skauge; Sanjoy K. Chowdhury; Kande K. D. Amarasinghe; Mary Jane Heeg; John Montgomery","Cascade Cyclizations and Couplings Involving Nickel Enolates","Journal of the American Chemical Society","2003","125","","13481","13485","10.1021/ja037423w","","","0.71073","MoKα","","0.1655","0.0436","","","0.0803","0.1078","","","","","","0.784","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114322","9.65","0.001","9.8364","0.0012","14.572","0.0017","90","","91.676","0.003","90","","1382.6","0.3","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","1","","Gireesh M. Mahandru; Andy R. L. Skauge; Sanjoy K. Chowdhury; Kande K. D. Amarasinghe; Mary Jane Heeg; John Montgomery","Cascade Cyclizations and Couplings Involving Nickel Enolates","Journal of the American Chemical Society","2003","125","","13481","13485","10.1021/ja037423w","","","0.71073","MoKα","","0.088","0.048","","","0.1172","0.1328","","","","","","0.971","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114323","7.7796","0.0015","7.8028","0.0015","9.2994","0.0018","99.115","0.003","90.767","0.003","100.417","0.003","547.67","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H42 O2 Os P2 -","- C18 H42 O2 Os P2 -","- C18 H42 O2 Os P2 -","1","0.5","","Miguel A. Esteruelas; Francisco J. Modrego; Enrique Oñate; Eva Royo","Dioxygen Activation by an Osmium-dihydride: Preparation and Characterization of a d4 Square-Planar Complex","Journal of the American Chemical Society","2003","125","","13344","13345","10.1021/ja037484u","","","0.71073","MoKα","","0.0231","0.0231","","","0.0485","0.0485","","","","","","1","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114324","8.0247","0.0015","9.0401","0.0017","16.608","0.003","90","","91.187","0.003","90","","1204.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Cl2 O2 Os P2 -","- C18 H42 Cl2 O2 Os P2 -","- C36 H84 Cl4 O4 Os2 P4 -","2","0.5","","Miguel A. Esteruelas; Francisco J. Modrego; Enrique Oñate; Eva Royo","Dioxygen Activation by an Osmium-dihydride: Preparation and Characterization of a d4 Square-Planar Complex","Journal of the American Chemical Society","2003","125","","13344","13345","10.1021/ja037484u","","","0.71073","MoKα","","0.0714","0.0465","","","0.103","0.1089","","","","","","0.933","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114325","14.0023","0.0007","18.9516","0.001","22.5404","0.0011","90","","90","","90","","5981.5","0.5","122","2","122","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H80 F6 N6 O9 -","- C59.92 H85.4 F0.864 N6 O8.607 -","- C239.68 H341.6 F3.456 N24 O34.428 -","4","1","","Cindy W. Wu; Kent Kirshenbaum; Tracy J. Sanborn; James A. Patch; Kai Huang; Ken A. Dill; Ronald N. Zuckermann; Annelise E. Barron","Structural and Spectroscopic Studies of Peptoid Oligomers with α-Chiral Aliphatic Side Chains","Journal of the American Chemical Society","2003","125","","13525","13530","10.1021/ja037540r","","","0.71073","MoKα","","0.1403","0.0924","","","0.2247","0.2488","","","","","","1.513","","","","has coordinates,has disorder","178914","2020-10-21","18:00:00",""
"4114326","9.733","0.002","10.284","0.005","36.391","0.007","97.523","0.006","90.015","0.013","118.133","0.007","3176.5","1.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","1,2-oxastibetane","3,4'-Diphenyl-3,4'-bis(trifluoromethyl)-1-[4-(t-butyl)phenyl]spiro [2,1-benzoxastibole-1(3H),2'λ^5^-[1,2-oxastibetane]","","- C34 H28 F9 O2 Sb -","- C34 H28 F9 O2 Sb -","- C136 H112 F36 O8 Sb4 -","4","2","","Yosuke Uchiyama; Naokazu Kano; Takayuki Kawashima","Synthesis, Structure, and Thermolysis of a Pentacoordinate 1,2-Oxastibetane","Journal of the American Chemical Society","2003","125","","13346","13347","10.1021/ja037586k","","","0.7107","MoKα","","0.1113","0.0988","","","0.1917","0.1964","","","","","","1.382","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114327","14.8309","0.0002","16.4624","0.0002","21.0129","0.0002","78.821","0.001","73.072","0.001","72.512","0.001","4649.28","0.1","176","2","176","2","","","","","","","synthetic","7","P -1","-P 1","2","Europium Macrobicyclic TRENSAM","","","- C36 H41 Br0.25 Cl0.25 Eu0.5 N8 O9 -","- C38.5 H41.5 Br0.25 Cl0.25 Eu0.5 N8.5 O13.975 -","- C154 H166 Br Cl Eu2 N34 O55.9 -","4","2","","Stéphane Petoud; Seth M. Cohen; Jean-Claude G. Bünzli; Kenneth N. Raymond","Stable Lanthanide Luminescence Agents Highly Emissive in Aqueous Solution: Multidentate 2-Hydroxyisophthalamide Complexes of Sm3+, Eu3+, Tb3+, Dy3+","Journal of the American Chemical Society","2003","125","","13324","13325","10.1021/ja0379363","","","0.71073","MoKα","","0.1646","0.1348","","0.3893","0.3411","","","","1.133","1.118","1.118","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114328","7.9727","0.0013","8.516","0.001","13.153","0.002","84.086","0.003","81.373","0.003","84.421","0.003","875.2","0.2","153.2","","153.2","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Todd L. Kurth; Frederick D. Lewis","Ground-State Conformational Equilibrium and Photochemical Behavior of Syn and Anti N,N'-Dimethyl-N,N'-di-1-naphthylurea Protophanes","Journal of the American Chemical Society","2003","125","","13760","13767","10.1021/ja034311w","","","0.7107","MoKα","","0.064","0.061","","0.134","","0.0889","","","3.834","","","4.24","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114329","4.58","0.02","11.27","0.03","14.71","0.05","90","0.007","91.3","0.8","90","","759","5","153.2","","153.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H16 N2 O -","- C21 H14 N2 O -","- C42 H28 N4 O2 -","2","1","","Todd L. Kurth; Frederick D. Lewis","Ground-State Conformational Equilibrium and Photochemical Behavior of Syn and Anti N,N'-Dimethyl-N,N'-di-1-naphthylurea Protophanes","Journal of the American Chemical Society","2003","125","","13760","13767","10.1021/ja034311w","","","0.70932","synchrotron","","0.1961","0.149","","0.275","","","","","9.503","","","9.5","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114330","11.239","0.005","10.953","0.005","12.182","0.005","90","0.005","105.337","0.005","90","0.005","1446.2","1.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H49 Cl N4 -","- C26 H49 Cl N4 -","- C52 H98 Cl2 N8 -","2","1","","Olivier Siri; Pierre Braunstein; Marie-Madeleine Rohmer; Marc Bénard; Richard Welter","Novel ""Potentially Antiaromatic"", Acidichromic Quinonediimines with Tunable Delocalization of Their 6π-Electron Subunits","Journal of the American Chemical Society","2003","125","","13793","13803","10.1021/ja035463u","","","0.71069","MoKα","","0.1003","0.0691","","","0.1785","0.1963","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114331","10.944","0.005","22.92","0.005","12.172","0.005","90","0.005","96.949","0.005","90","0.005","3031","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H49 B F4 N4 -","- C26 H49 B F4 N4 -","- C104 H196 B4 F16 N16 -","4","1","","Olivier Siri; Pierre Braunstein; Marie-Madeleine Rohmer; Marc Bénard; Richard Welter","Novel ""Potentially Antiaromatic"", Acidichromic Quinonediimines with Tunable Delocalization of Their 6π-Electron Subunits","Journal of the American Chemical Society","2003","125","","13793","13803","10.1021/ja035463u","","","0.71069","MoKα","","0.3093","0.0941","","","0.1631","0.2358","","","","","","0.853","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114332","15.0604","0.0002","14.9707","0.0003","19.7491","0.0003","90","","108.537","0.001","90","","4221.71","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H53 Cl11 N4 -","- C29 H53 Cl11 N4 -","- C116 H212 Cl44 N16 -","4","1","","Olivier Siri; Pierre Braunstein; Marie-Madeleine Rohmer; Marc Bénard; Richard Welter","Novel ""Potentially Antiaromatic"", Acidichromic Quinonediimines with Tunable Delocalization of Their 6π-Electron Subunits","Journal of the American Chemical Society","2003","125","","13793","13803","10.1021/ja035463u","","","0.71073","MoKα","","0.1074","0.0708","","","0.1992","0.2189","","","","","","1.058","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114333","10.367","0.006","11.437","0.006","19.44","0.01","90","","102.35","0.03","90","","2252","2","123.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H36 Co N14 S2 -","- C50 H36 Co N14 S2 -","- C100 H72 Co2 N28 S4 -","2","0.5","","Satoru Karasawa; Guangyuan Zhou; Hiroshi Morikawa; Noboru Koga","Magnetic Properties of Tetrakis[4-(α-diazobenzyl)pyridine]bis(thiocyanato-N)cobalt(II) in Frozen Solution after Irradiation. Formation of a Single-Molecule Magnet in Frozen Solution","Journal of the American Chemical Society","2003","125","","13676","13677","10.1021/ja035478s","","","0.7107","MoKα","","","0.039","","","","0.081","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114334","14.8174","0.0008","15.9698","0.0012","17.6032","0.0011","107.677","0.006","94.282","0.005","103.261","0.005","3815.9","0.5","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H114 N6 O9 Ru3 -","- C75 H114 N6 O9 Ru3 -","- C150 H228 N12 O18 Ru6 -","2","1","","Zacharias Grote; Marie-Line Lehaire; Rosario Scopelliti; Kay Severin","Selective Complexation of Li+ in Water at Neutral pH Using a Self-Assembled Ionophore","Journal of the American Chemical Society","2003","125","","13638","13639","10.1021/ja036621k","","","0.71073","MoKα","","0.0475","0.0397","","","0.1064","0.1123","","","","","","1.106","","","","has coordinates,has disorder","178914","2020-10-21","18:00:00",""
"4114335","10.0322","0.0002","10.0322","0.0002","15.514","0.0005","90","","90","","120","","1352.22","0.06","173","2","173","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C31 H45 O U -","- C31 H45 O U -","- C62 H90 O2 U2 -","2","0.166667","","William J. Evans; Stosh A. Kozimor; Gregory W. Nyce; Joseph W. Ziller","Comparative Reactivity of Sterically Crowded nf3 (C5Me5)3Nd and (C5Me5)3U Complexes with CO: Formation of a Nonclassical Carbonium Ion versus an f Element Metal Carbonyl Complex","Journal of the American Chemical Society","2003","125","","13831","13835","10.1021/ja036631l","","","0.71073","MoKα","","0.0174","0.0161","","","0.0419","0.0425","","","","","","1.148","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114336","10.9999","0.0003","12.3577","0.0002","16.7301","0.0003","90","","93.935","0.001","90","","2268.82","0.08","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H53 F6 N4 O4 P -","- C48 H53 F6 N4 O4 P -","- C96 H106 F12 N8 O8 P2 -","2","1","","Sung-Gon Kim; Kyung-Hyun Kim; Young Kook Kim; Seung Koo Shin; Kyo Han Ahn","Crucial Role of Three-Center Hydrogen Bonding in a Challenging Chiral Molecular Recognition","Journal of the American Chemical Society","2003","125","","13819","13824","10.1021/ja037031p","","","0.71073","MoKα","","0.0917","0.0665","","","0.1434","0.165","","","","","","1.106","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114337","10.661","0.0002","13.027","0.0003","21.9266","0.0004","90","","101.584","0.001","90","","2983.16","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 Ir N P2 -","- C30 H50 Ir N P2 -","- C120 H200 Ir4 N4 P8 -","4","1","","Mira Kanzelberger; Xiawei Zhang; Thomas J. Emge; Alan S. Goldman; Jing Zhao; Christopher Incarvito; John F. Hartwig","Distinct Thermodynamics for the Formation and Cleavage of N-H Bonds in Aniline and Ammonia. Directly-Observed Reductive Elimination of Ammonia from an Isolated Amido Hydride Complex","Journal of the American Chemical Society","2003","125","","13644","13645","10.1021/ja037363u","","","0.71073","MoKα","","0.0198","0.0176","","","0.0386","0.0392","","","","","","0.998","","","","has coordinates,has disorder","178914","2020-10-21","18:00:00",""
"4114338","9.7518","0.0003","15.587","0.0005","20.1914","0.0007","90","","96.472","0.001","90","","3049.56","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H50 Ir N O P2 -","- C31 H50 Ir N O P2 -","- C124 H200 Ir4 N4 O4 P8 -","4","1","","Mira Kanzelberger; Xiawei Zhang; Thomas J. Emge; Alan S. Goldman; Jing Zhao; Christopher Incarvito; John F. Hartwig","Distinct Thermodynamics for the Formation and Cleavage of N-H Bonds in Aniline and Ammonia. Directly-Observed Reductive Elimination of Ammonia from an Isolated Amido Hydride Complex","Journal of the American Chemical Society","2003","125","","13644","13645","10.1021/ja037363u","","","0.71073","MoKα","","0.0285","0.0235","","","0.0505","0.0522","","","","","","1.01","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114339","14.938","0.003","15.383","0.003","24.065","0.005","90","","106.9","0.03","90","","5291","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H46 Ir N P2 -","- C24 H46 Ir N P2 -","- C192 H368 Ir8 N8 P16 -","8","2","","Mira Kanzelberger; Xiawei Zhang; Thomas J. Emge; Alan S. Goldman; Jing Zhao; Christopher Incarvito; John F. Hartwig","Distinct Thermodynamics for the Formation and Cleavage of N-H Bonds in Aniline and Ammonia. Directly-Observed Reductive Elimination of Ammonia from an Isolated Amido Hydride Complex","Journal of the American Chemical Society","2003","125","","13644","13645","10.1021/ja037363u","","","0.71073","MoKα","","0.081","0.0349","","","0.0587","0.0708","","","","","","0.912","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114340","11.291","0.002","11.463","0.002","24.15","0.005","90","","90","","90","","3125.7","1","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H55 Ir N2 P2 -","- C29 H55 Ir N2 P2 -","- C116 H220 Ir4 N8 P8 -","4","1","","Mira Kanzelberger; Xiawei Zhang; Thomas J. Emge; Alan S. Goldman; Jing Zhao; Christopher Incarvito; John F. Hartwig","Distinct Thermodynamics for the Formation and Cleavage of N-H Bonds in Aniline and Ammonia. Directly-Observed Reductive Elimination of Ammonia from an Isolated Amido Hydride Complex","Journal of the American Chemical Society","2003","125","","13644","13645","10.1021/ja037363u","","","0.71073","MoKα","","0.0423","0.0335","","","0.0727","0.0763","","","","","","1.071","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114341","24.519","0.006","9.344","0.002","19.291","0.005","90","0.004","122.694","0.003","90","0.004","3719.5","1.6","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H70 Li2 N4 -","- C38 H70 Li2 N4 -","- C152 H280 Li8 N16 -","4","1","","Carsten Strohmann; Katja Strohfeldt; Daniel Schildbach","The Crystal Structures of the Chiral Alkyllithium Bases [n-BuLi.(-)-Sparteine]2 and [Et2O.(i-PrLi)2.(-)-Sparteine]","Journal of the American Chemical Society","2003","125","","13672","13673","10.1021/ja0374372","","","0.71073","MoKα","","0.069","0.0584","","","0.1568","0.1639","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114342","12.7609","0.0007","11.7641","0.0007","18.4451","0.0011","90","","105.703","0.001","90","","2665.6","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H50 Li2 N2 O -","- C25 H50 Li2 N2 O -","- C100 H200 Li8 N8 O4 -","4","2","","Carsten Strohmann; Katja Strohfeldt; Daniel Schildbach","The Crystal Structures of the Chiral Alkyllithium Bases [n-BuLi.(-)-Sparteine]2 and [Et2O.(i-PrLi)2.(-)-Sparteine]","Journal of the American Chemical Society","2003","125","","13672","13673","10.1021/ja0374372","","","0.71073","MoKα","","0.0912","0.051","","","0.0747","0.0801","","","","","","1.011","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114343","10.955","0.0006","14.568","0.0008","6.737","0.0002","90","","99.408","0.003","90","","1060.71","0.09","110","2","110","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C16 H36 Cl2 F2 P2 Pd -","- C16 H36 Cl2 F2 P2 Pd -","- C32 H72 Cl4 F4 P4 Pd2 -","2","0.5","","Anette Yahav; Israel Goldberg; Arkadi Vigalok","Synthesis of the Elusive (R3P)2MF2 (M = Pd, Pt) Complexes","Journal of the American Chemical Society","2003","125","","13634","13635","10.1021/ja0377753","","","0.71073","MoKα","","0.044","0.0375","","","0.0744","0.0774","","","","","","1.066","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114344","10.6046","0.0001","18.4424","0.0004","7.9205","0.0002","90","","107.209","0.001","90","","1479.7","0.05","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N4 O2 -","- C36 H40 N4 O2 -","- C72 H80 N8 O4 -","2","0.5","","Jonathan L. Sessler; Deqiang An; Won-Seob Cho; Vincent Lynch","Calix[2]bipyrrole[2]furan and Calix[2]bipyrrole[2]thiophene: New Pyrrolic Receptors Exhibiting a Preference for Carboxylate Anions","Journal of the American Chemical Society","2003","125","","13646","13647","10.1021/ja038264j","","","0.71073","MoKα","","0.1372","0.0946","","","0.1249","0.1356","","","","","","1.198","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114345","10.0674","0.0003","20.8027","0.0005","19.2138","0.0006","90","","97.053","0.001","90","","3993.5","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 N4 O2 S2 -","- C41.9 H53.2 N4 O2 S1.65 -","- C167.6 H212.8 N16 O8 S6.6 -","4","1","","Jonathan L. Sessler; Deqiang An; Won-Seob Cho; Vincent Lynch","Calix[2]bipyrrole[2]furan and Calix[2]bipyrrole[2]thiophene: New Pyrrolic Receptors Exhibiting a Preference for Carboxylate Anions","Journal of the American Chemical Society","2003","125","","13646","13647","10.1021/ja038264j","","","0.71073","MoKα","","0.1571","0.1223","","","0.1846","0.1885","","","","","","3.072","","","","has coordinates,has disorder","178914","2020-10-21","18:00:00",""
"4114346","8.1904","0.0003","28.139","0.001","9.196","0.0004","90","","92.723","0.003","90","","2117.01","0.14","173.2","","173.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C48 H52 Si4 -","- C48 H52 Si4 -","- C96 H104 Si8 -","2","0.5","","Shigehiro Yamaguchi; Caihong Xu; Kohei Tamao","Bis-Silicon-Bridged Stilbene Homologues Synthesized by New Intramolecular Reductive Double Cyclization","Journal of the American Chemical Society","2003","125","","13662","13663","10.1021/ja038487+","","","0.7107","MoKα","","0.0481","0.0481","","","0.0701","0.0701","","","","","","1.223","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114347","37.6785","0.0007","37.6785","0.0007","8.196","0.0001","90","","90","","120","","10076.7","0.3","200","2","200","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C26 H27 N O3 S -","- C26 H27 N O3 S -","- C468 H486 N18 O54 S18 -","18","1","","Aaron C. Kinsman; Michael A. Kerr","The Total Synthesis of (+)-Hapalindole Q by an Organomediated Diels-Alder Reaction","Journal of the American Chemical Society","2003","125","","14120","14125","10.1021/ja036191y","","","0.71073","MoKα","","0.0609","0.0407","","","0.0907","0.0973","","","","","","1.006","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114348","9.9592","0.0012","12.7307","0.0015","17.002","0.002","97.201","0.014","97.631","0.014","109.184","0.014","1984.8","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Cl4 Mn4 N4 O8 -","- C36 H36 Cl4 Mn4 N4 O8 -","- C72 H72 Cl8 Mn8 N8 O16 -","2","1","","Colette Boskovic; Roland Bircher; Philip L. W. Tregenna-Piggott; Hans U. Güdel; Carley Paulsen; Wolfgang Wernsdorfer; Anne-Laure Barra; Eugene Khatsko; Antonia Neels; Helen Stoeckli-Evans","Ferromagnetic and Antiferromagnetic Intermolecular Interactions in a New Family of Mn4 Complexes with an Energy Barrier to Magnetization Reversal","Journal of the American Chemical Society","2003","125","","14046","14058","10.1021/ja0367086","","","0.71073","MoKα","","0.1358","0.0844","","","0.2106","0.2323","","","","","","0.893","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114349","10.2734","0.0009","12.5078","0.0012","19.1271","0.0019","71.96","0.011","88.22","0.011","81.644","0.011","2311.9","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.5 H42.75 Cl4 Mn4 N6.25 O8 -","- C40.5 H42.75 Cl4 Mn4 N6.25 O8 -","- C81 H85.5 Cl8 Mn8 N12.5 O16 -","2","1","","Colette Boskovic; Roland Bircher; Philip L. W. Tregenna-Piggott; Hans U. Güdel; Carley Paulsen; Wolfgang Wernsdorfer; Anne-Laure Barra; Eugene Khatsko; Antonia Neels; Helen Stoeckli-Evans","Ferromagnetic and Antiferromagnetic Intermolecular Interactions in a New Family of Mn4 Complexes with an Energy Barrier to Magnetization Reversal","Journal of the American Chemical Society","2003","125","","14046","14058","10.1021/ja0367086","","","0.71073","MoKα","","0.0621","0.0349","","","0.0728","0.0784","","","","","","0.84","","","","has coordinates","206343","2020-10-21","18:00:00",""
"4114350","10.2776","0.001","13.1387","0.0012","19.0355","0.0016","71.828","0.01","89.729","0.011","83.569","0.011","2425.6","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H45 Br4 Mn4 N7 O8 -","- C42 H45 Br4 Mn4 N7 O8 -","- C84 H90 Br8 Mn8 N14 O16 -","2","1","","Colette Boskovic; Roland Bircher; Philip L. W. Tregenna-Piggott; Hans U. Güdel; Carley Paulsen; Wolfgang Wernsdorfer; Anne-Laure Barra; Eugene Khatsko; Antonia Neels; Helen Stoeckli-Evans","Ferromagnetic and Antiferromagnetic Intermolecular Interactions in a New Family of Mn4 Complexes with an Energy Barrier to Magnetization Reversal","Journal of the American Chemical Society","2003","125","","14046","14058","10.1021/ja0367086","","","0.71073","MoKα","","0.083","0.0428","","","0.0865","0.094","","","","","","0.889","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114351","15.8213","0.0008","15.8213","0.0008","11.4105","0.0006","90","","90","","90","","2856.2","0.3","153","2","153","2","","","","","","","","6","I -4","I -4","82","","","","- C52 H68 Cl4 Mn4 N4 O8 -","- C52 H68 Cl4 Mn4 N4 O8 -","- C104 H136 Cl8 Mn8 N8 O16 -","2","0.25","","Colette Boskovic; Roland Bircher; Philip L. W. Tregenna-Piggott; Hans U. Güdel; Carley Paulsen; Wolfgang Wernsdorfer; Anne-Laure Barra; Eugene Khatsko; Antonia Neels; Helen Stoeckli-Evans","Ferromagnetic and Antiferromagnetic Intermolecular Interactions in a New Family of Mn4 Complexes with an Energy Barrier to Magnetization Reversal","Journal of the American Chemical Society","2003","125","","14046","14058","10.1021/ja0367086","","","0.71073","MoKα","","0.0363","0.0333","","","0.0896","0.0918","","","","","","1.045","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114352","23.584","0.004","24.664","0.004","12.91","0.002","90","","90","","90","","7509","2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","(K-crypt)2[[Ph-(Ge9)-SbPh2].tol","","- C61 H95 Ge9 K2 N4 O12 Sb -","- C61 H95 Ge9 K2 N4 O12 Sb -","- C244 H380 Ge36 K8 N16 O48 Sb4 -","4","1","","Angel Ugrinov; Slavi C. Sevov","Derivatization of Deltahedral Zintl Ions by Nucleophilic Addition: [Ph-Ge9-SbPh2]2-and [Ph2Sb-Ge9-Ge9-SbPh2]4-","Journal of the American Chemical Society","2003","125","","14059","14064","10.1021/ja037007b","","","0.71073","MoKα","","0.0966","0.0646","","","0.1642","0.1859","","","","","","1.103","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114353","14.333","0.005","26.108","0.008","38.643","0.014","80.472","0.007","82.169","0.006","84.332","0.008","14085","8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(K-crypt)4[Ph2Sb-Ge9-Ge9-SbPh2].2.5en","","- C101 H184 Ge18 K4 N13 O24 Sb2 -","- C101 H184.05 Ge18 K4 N13 O24 Sb2 -","- C404 H736.2 Ge72 K16 N52 O96 Sb8 -","4","2","","Angel Ugrinov; Slavi C. Sevov","Derivatization of Deltahedral Zintl Ions by Nucleophilic Addition: [Ph-Ge9-SbPh2]2-and [Ph2Sb-Ge9-Ge9-SbPh2]4-","Journal of the American Chemical Society","2003","125","","14059","14064","10.1021/ja037007b","","","0.71073","MoKα","","0.1734","0.084","","","0.1928","0.2404","","","","","","1.002","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114354","9.3854","0.0005","13.5391","0.0007","19.456","0.001","84.522","0.001","81.39","0.001","80.176","0.001","2402.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(K-crypt)2K4[Ge9-Ge9].8en","","- C26 H61 Ge9 K3 N10 O6 -","- C26 H61 Ge9 K3 N10 O6 -","- C52 H122 Ge18 K6 N20 O12 -","2","1","","Angel Ugrinov; Slavi C. Sevov","Derivatization of Deltahedral Zintl Ions by Nucleophilic Addition: [Ph-Ge9-SbPh2]2-and [Ph2Sb-Ge9-Ge9-SbPh2]4-","Journal of the American Chemical Society","2003","125","","14059","14064","10.1021/ja037007b","","","0.71073","MoKα","","0.0783","0.052","","","0.1297","0.1467","","","","","","0.952","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114355","15.187","0.003","37.638","0.008","23.04","0.005","90","","90","","90","","13170","5","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","(K-18C6)6[Ge9=Ge9=Ge9].2en","","- C75 H158 Ge27 K6 N4 O36 -","- C75 H157.99 Ge27 K6 N4 O36 -","- C300 H631.96 Ge108 K24 N16 O144 -","4","0.5","","Angel Ugrinov; Slavi C. Sevov","Derivatization of Deltahedral Zintl Ions by Nucleophilic Addition: [Ph-Ge9-SbPh2]2-and [Ph2Sb-Ge9-Ge9-SbPh2]4-","Journal of the American Chemical Society","2003","125","","14059","14064","10.1021/ja037007b","","","0.71073","MoKα","","0.1782","0.1184","","","0.2735","0.2939","","","","","","1.097","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114356","9.8013","0.0006","30.734","0.002","15.5347","0.001","90","","101.774","0.001","90","","4581.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(K-18C6)2K2[Ge9]","","- C24 H48 Ge9 K4 O12 -","- C24 H48 Ge9 K4 O12 -","- C96 H192 Ge36 K16 O48 -","4","1","","Angel Ugrinov; Slavi C. Sevov","Derivatization of Deltahedral Zintl Ions by Nucleophilic Addition: [Ph-Ge9-SbPh2]2-and [Ph2Sb-Ge9-Ge9-SbPh2]4-","Journal of the American Chemical Society","2003","125","","14059","14064","10.1021/ja037007b","","","0.71073","MoKα","","0.1763","0.0866","","","0.2197","0.2578","","","","","","0.987","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114357","18.1006","0.0018","15.4909","0.0016","24.589","0.003","90","","96.513","0.002","90","","6850.1","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(K-18C6)3[Ge9].3en","","- C42 H96 Ge9 K3 N6 O18 -","- C42 H96.03 Ge9 K3 N6 O18 -","- C168 H384.12 Ge36 K12 N24 O72 -","4","1","","Angel Ugrinov; Slavi C. Sevov","Derivatization of Deltahedral Zintl Ions by Nucleophilic Addition: [Ph-Ge9-SbPh2]2-and [Ph2Sb-Ge9-Ge9-SbPh2]4-","Journal of the American Chemical Society","2003","125","","14059","14064","10.1021/ja037007b","","","0.71073","MoKα","","0.1832","0.1041","","","0.2835","0.3255","","","","","","1.077","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114358","10.138","0.003","13.881","0.002","19.311","0.004","76.76","0.01","80.9","0.02","78.6","0.01","2574.9","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(Rb-crypt)2Rb4(Ge9)(Ge9).7en","","- C24 H34 Ge9 N9 O6 Rb3 -","- C24 H34 Ge9 N9 O6 Rb3 -","- C48 H68 Ge18 N18 O12 Rb6 -","2","1","","Angel Ugrinov; Slavi C. Sevov","Derivatization of Deltahedral Zintl Ions by Nucleophilic Addition: [Ph-Ge9-SbPh2]2-and [Ph2Sb-Ge9-Ge9-SbPh2]4-","Journal of the American Chemical Society","2003","125","","14059","14064","10.1021/ja037007b","","","0.71073","MoKα","","0.2263","0.0948","","","0.209","0.2541","","","","","","0.963","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114359","18.139","0.002","24.386","0.003","22.478","0.003","90","","110.283","0.002","90","","9326","2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Ir4(CO)3(mu4-CH)(PMe3)2(mu-PMe2)(CNCH2C6H5) (mu-eta2,eta2-C60)(mu4-eta1,eta1,eta2,eta2-C60) (1)","","- C147.75 H36 Cl2 Ir4 N O3 P3 S3.5 -","- C147.75 H36 Cl2 Ir4 N O3 P3 S3.5 -","- C591 H144 Cl8 Ir16 N4 O12 P12 S14 -","4","1","","Gaehang Lee; Youn-Jaung Cho; Bo Keun Park; Kwangyeol Lee; Joon T. Park","Two Metal Centers Bridging Two C60 Cages as a Wide Passage for Efficient Interfullerene Electronic Interaction","Journal of the American Chemical Society","2003","125","","13920","13921","10.1021/ja037106p","","","0.71073","MoKα","","0.1427","0.0646","","","0.1528","0.1956","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114360","6.1314","0.0003","12.8797","0.0007","13.1406","0.0007","98.324","0.001","103.448","0.001","101.176","0.001","970.33","0.09","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H28 N2 O5 -","- C20 H28 N2 O5 -","- C40 H56 N4 O10 -","2","1","","Deborah M. Smith; Michelle B. Tran; K. A. Woerpel","Nucleophilic Additions to Fused Bicyclic Five-Membered Ring Oxocarbenium Ions: Evidence for Preferential Attack on the Inside Face","Journal of the American Chemical Society","2003","125","","14149","14152","10.1021/ja0375176","","","0.71073","MoKα","","0.0903","0.0522","","","0.1072","0.1268","","","","","","1.035","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114361","11.872","0.0002","12.8355","0.0003","20.9817","0.0004","79.8348","0.001","74.1654","0.0011","73.5959","0.0012","2933.55","0.1","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C96 H152 Cl8 O8 P8 Pt4 -","- C96 H152 Cl8 O8 P8 Pt4 -","- C96 H152 Cl8 O8 P8 Pt4 -","1","0.5","","Neeladri Das; Partha Sarathi Mukherjee; Atta M. Arif; Peter J. Stang","Facile Self-Assembly of Predesigned Neutral 2D Pt-Macrocycles via a New Class of Rigid Oxygen Donor Linkers","Journal of the American Chemical Society","2003","125","","13950","13951","10.1021/ja037788g","","","0.71073","MoKα","","0.0683","0.0465","","","0.1191","0.1332","","","","","","1.041","","","","has coordinates,has disorder","178914","2020-10-21","18:00:00",""
"4114362","16.5367","0.0003","14.5788","0.0003","22.3754","0.0003","90","","110.644","0.001","90","","5047.99","0.16","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H142 Cl6 O8 P8 Pt4 -","- C86 H142 Cl6 O8 P8 Pt4 -","- C172 H284 Cl12 O16 P16 Pt8 -","2","0.5","","Neeladri Das; Partha Sarathi Mukherjee; Atta M. Arif; Peter J. Stang","Facile Self-Assembly of Predesigned Neutral 2D Pt-Macrocycles via a New Class of Rigid Oxygen Donor Linkers","Journal of the American Chemical Society","2003","125","","13950","13951","10.1021/ja037788g","","","0.71073","MoKα","","0.1072","0.0948","","","0.2684","0.2759","","","","","","1.124","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114363","8.8037","0.0006","22.6796","0.0015","17.6793","0.00012","90","","102.919","0.001","90","","3440.6","0.3","153","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Co3 N24 S6 -","- C18 H24 Co3 N24 S6 -","- C72 H96 Co12 N96 S24 -","4","1","","Tian-Fu Liu; Dan Fu; Song Gao; Yuan-Zhu Zhang; Hao-Ling Sun; Gang Su; Yong-Jiang Liu","An Azide-Bridged Homospin Single-Chain Magnet: [Co(2,2'-bithiazoline)(N3)2]n","Journal of the American Chemical Society","2003","125","","13976","13977","10.1021/ja0380751","","","0.71073","MoKα","","0.1256","0.0602","","","0.1187","0.137","","","","","","0.874","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114364","9.4795","0.0019","9.6597","0.0019","9.7248","0.0019","60.95","0.03","66.93","0.03","73.92","0.03","712","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 Co N8 -","- C14 H12 Co N8 -","- C28 H24 Co2 N16 -","2","1","","Tian-Fu Liu; Dan Fu; Song Gao; Yuan-Zhu Zhang; Hao-Ling Sun; Gang Su; Yong-Jiang Liu","An Azide-Bridged Homospin Single-Chain Magnet: [Co(2,2'-bithiazoline)(N3)2]n","Journal of the American Chemical Society","2003","125","","13976","13977","10.1021/ja0380751","","","0.71073","MoKα","","0.0939","0.0543","","","0.1148","0.1299","","","","","","1.062","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114365","17.5719","0.0016","8.3749","0.0007","23.26","0.002","90","","90","","90","","3423","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H17 I O4 -","- C16 H17 I O4 -","- C128 H136 I8 O32 -","8","1","","Shengming Ma; Junliang Zhang; Yangjun Cai; Lianghua Lu","An X-(X = I, Br)-Triggered Ring-Opening Coupling Reaction of Cyclopropenes with Organic Halides","Journal of the American Chemical Society","2003","125","","13954","13955","10.1021/ja038131y","","","0.71073","MoKα","","0.0724","0.0422","","","0.1055","0.1162","","","","","","0.916","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114366","7.0765","0.0004","22.4698","0.0012","11.6678","0.0006","90","","100.383","0.002","90","","1824.89","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 N O2 -","- C21 H31 N O2 -","- C84 H124 N4 O8 -","4","1","","Christopher E. Katz; Jeffrey Aubé","Unusual Tethering Effects in the Schmidt Reaction of Hydroxyalkyl Azides with Ketones: Cation-π and Steric Stabilization of a Pseudoaxial Phenyl Group","Journal of the American Chemical Society","2003","125","","13948","13949","10.1021/ja0382361","","","0.71073","MoKα","","0.0659","0.0535","","","0.1383","0.1473","","","","","","1.038","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114367","17.508","0.002","13.1488","0.0017","9.3053","0.0012","90","","98.716","0.003","90","","2117.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 N O5 -","- C22 H35 N O5 -","- C88 H140 N4 O20 -","4","1","","Christopher E. Katz; Jeffrey Aubé","Unusual Tethering Effects in the Schmidt Reaction of Hydroxyalkyl Azides with Ketones: Cation-π and Steric Stabilization of a Pseudoaxial Phenyl Group","Journal of the American Chemical Society","2003","125","","13948","13949","10.1021/ja0382361","","","0.71073","MoKα","","0.11","0.0672","","","0.15","0.1679","","","","","","1.04","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114368","15.809","0.014","6.497","0.006","18.623","0.019","90","","97.64","0.03","90","","1896","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 N O3 -","- C20 H31 N O3 -","- C80 H124 N4 O12 -","4","1","","Christopher E. Katz; Jeffrey Aubé","Unusual Tethering Effects in the Schmidt Reaction of Hydroxyalkyl Azides with Ketones: Cation-π and Steric Stabilization of a Pseudoaxial Phenyl Group","Journal of the American Chemical Society","2003","125","","13948","13949","10.1021/ja0382361","","","0.71073","MoKα","","0.1249","0.0768","","","0.1868","0.2075","","","","","","0.976","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114369","40.0967","0.0009","40.0967","0.0009","6.2389","0.0003","90","","90","","120","","8686.7","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19.33 H28.67 Cl0.67 N2 O4 -","- C19 H28 N2 O4 -","- C342 H504 N36 O72 -","18","1","","Christopher E. Katz; Jeffrey Aubé","Unusual Tethering Effects in the Schmidt Reaction of Hydroxyalkyl Azides with Ketones: Cation-π and Steric Stabilization of a Pseudoaxial Phenyl Group","Journal of the American Chemical Society","2003","125","","13948","13949","10.1021/ja0382361","","","0.71073","MoKα","","0.0541","0.0466","","","0.1172","0.1214","","","","","","1.033","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114370","11.859","0.004","12.026","0.004","13.269","0.003","90","","97.4","0.02","90","","1876.6","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 N O2 -","- C20 H31 N O2 -","- C80 H124 N4 O8 -","4","1","","Christopher E. Katz; Jeffrey Aubé","Unusual Tethering Effects in the Schmidt Reaction of Hydroxyalkyl Azides with Ketones: Cation-π and Steric Stabilization of a Pseudoaxial Phenyl Group","Journal of the American Chemical Society","2003","125","","13948","13949","10.1021/ja0382361","","","1.54178","CuKα","","0.0714","0.0526","","","0.1485","0.1605","","","","","","1.037","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114371","11.5178","0.0009","21.9995","0.0018","11.0513","0.0009","90","","103.298","0.002","90","","2725.2","0.4","218","2","218","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H8 Cl6 S6 -","- C24 H8 Cl6 S6 -","- C96 H32 Cl24 S24 -","4","1","","Michael J. Marsella; Kunsang Yoon; Adah Almutairi; Sheraz K. Butt; Fook S. Tham","Helical Sexithiophenes: An Experimental and Theoretical Study Implicating the Alternating 2,2':3,3' Regioisomer as a Reliable Helical Motif","Journal of the American Chemical Society","2003","125","","13928","13929","10.1021/ja038260e","","","0.71073","MoKα","","0.036","0.0311","","","0.0805","0.0853","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114372","11.127","0.005","16.123","0.01","32.806","0.013","90","","96.92","0.013","90","","5843","5","218","2","218","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H6 Cl8 S6 -","- C24 H6 Cl8 S6 -","- C192 H48 Cl64 S48 -","8","2","","Michael J. Marsella; Kunsang Yoon; Adah Almutairi; Sheraz K. Butt; Fook S. Tham","Helical Sexithiophenes: An Experimental and Theoretical Study Implicating the Alternating 2,2':3,3' Regioisomer as a Reliable Helical Motif","Journal of the American Chemical Society","2003","125","","13928","13929","10.1021/ja038260e","","","0.71073","MoKα","","0.0551","0.0411","","","0.1034","0.1129","","","","","","1.027","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114373","10.88","0.003","19.026","0.005","15.552","0.004","90","","109.939","0.006","90","","3026.3","1.4","218","2","218","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H6 Br2 Cl6 S6 -","- C24 H6 Br2 Cl6 S6 -","- C96 H24 Br8 Cl24 S24 -","4","1","","Michael J. Marsella; Kunsang Yoon; Adah Almutairi; Sheraz K. Butt; Fook S. Tham","Helical Sexithiophenes: An Experimental and Theoretical Study Implicating the Alternating 2,2':3,3' Regioisomer as a Reliable Helical Motif","Journal of the American Chemical Society","2003","125","","13928","13929","10.1021/ja038260e","","","0.71073","MoKα","","0.0749","0.0509","","","0.128","0.1412","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114374","9.175","0.002","13.37","0.002","11.119","0.002","90","","103.68","0.02","90","","1325.3","0.4","301.2","","301.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H39 N3 O5 -","- C24 H39 N3 O5 -","- C48 H78 N6 O10 -","2","1","","Dan Yang; Jin Qu; Wei Li; De-Ping Wang; Yi Ren; Yun-Dong Wu","A Reverse Turn Structure Induced by ad,l-α-Aminoxy Acid Dimer","Journal of the American Chemical Society","2003","125","","14452","14457","10.1021/ja029514j","","","0.7107","MoKalpha","","","0.0821","","","0.1046","","","","","1.747","1.747","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114375","13.371","0.006","13.509","0.006","13.777","0.007","90","","107.313","0.006","90","","2375.8","1.9","223.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 F3 N2 O3 Ru S -","- C23 H27 F3 N2 O3 Ru S -","- C92 H108 F12 N8 O12 Ru4 S4 -","4","1","","Hideki Hayashi; Seiji Ogo; Tsutomu Abura; Shunichi Fukuzumi","Accelerating Effect of a Proton on the Reduction of CO2 Dissolved in Water under Acidic Conditions. Isolation, Crystal Structure, and Reducing Ability of a Water-Soluble Ruthenium Hydride Complex","Journal of the American Chemical Society","2003","125","","14266","14267","10.1021/ja036117f","","","0.7107","MoKα","","","0.0453","","","","0.0827","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114376","18.934","0.003","10.451","0.0016","15.711","0.002","90","","90","","90","","3108.9","0.8","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H43 F3 O3 P2 S -","- C31 H43 F3 O3 P2 S -","- C124 H172 F12 O12 P8 S4 -","4","1","","Neil Burford; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Phosphine Coordination Complexes of the Diphenylphosphenium Cation: A Versatile Synthetic Methodology for P-P Bond Formation","Journal of the American Chemical Society","2003","125","","14404","14410","10.1021/ja036649w","","x-ray","0.71073","MoKα","","0.056","0.041","","","0.0798","0.085","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114377","9.881","0.001","14.6051","0.0014","28.467","0.003","90","","91.502","0.002","90","","4106.7","0.7","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42.5 H35 Cl5 Ga P3 -","- C42 H34 Cl4 Ga P3 -","- C168 H136 Cl16 Ga4 P12 -","4","1","","Neil Burford; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Phosphine Coordination Complexes of the Diphenylphosphenium Cation: A Versatile Synthetic Methodology for P-P Bond Formation","Journal of the American Chemical Society","2003","125","","14404","14410","10.1021/ja036649w","","","0.71073","MoKα","","0.136","0.0829","","","0.2024","0.2272","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114378","10.0399","0.0015","10.6383","0.0016","14.648","0.002","102.753","0.003","107.407","0.003","100.374","0.003","1404.2","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H32 F3 O3 P3 S -","- C27 H32 F3 O3 P3 S -","- C54 H64 F6 O6 P6 S2 -","2","1","","Neil Burford; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Phosphine Coordination Complexes of the Diphenylphosphenium Cation: A Versatile Synthetic Methodology for P-P Bond Formation","Journal of the American Chemical Society","2003","125","","14404","14410","10.1021/ja036649w","","x-ray","0.71073","MoKα","","0.0835","0.0508","","","0.1055","0.1179","","","","","","1.024","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114379","11.569","0.003","8.265","0.002","19.965","0.005","90","","97.214","0.005","90","","1893.9","0.8","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 F3 O3 P2 S -","- C16 H19 F3 O3 P2 S -","- C64 H76 F12 O12 P8 S4 -","4","1","","Neil Burford; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Phosphine Coordination Complexes of the Diphenylphosphenium Cation: A Versatile Synthetic Methodology for P-P Bond Formation","Journal of the American Chemical Society","2003","125","","14404","14410","10.1021/ja036649w","","","0.71073","MoKα","","0.1424","0.0956","","","0.2113","0.2418","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114380","18.482","0.006","27.662","0.008","10.744","0.005","90","","90","","90","","5493","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 Cl5 Ga P2 -","- C24 H20 Cl5 Ga P2 -","- C192 H160 Cl40 Ga8 P16 -","8","1","","Neil Burford; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Phosphine Coordination Complexes of the Diphenylphosphenium Cation: A Versatile Synthetic Methodology for P-P Bond Formation","Journal of the American Chemical Society","2003","125","","14404","14410","10.1021/ja036649w","","","1.5418","CuKα","","0.2658","0.0512","","0.2082","0.1329","","","","0.971","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114381","6.8309","0.0004","6.8118","0.0004","22.2279","0.001","90","","90","","113.993","0.003","944.91","0.09","298","2","298","","","","","","","","synthesis as described","5","B 1 1 m","B -2","8","","","","- Eu1.14 K0.5 Na1.08 O10.28 Si3 -","- Eu1.14 K0.5 Na1.08 O10.28 Si3 -","- Eu4.56 K2 Na4.32 O41.12 Si12 -","4","1","","Artur Ferreira; Duarte Ananias; Luís D. Carlos; Cláudia M. Morais; João Rocha","Novel Microporous Lanthanide Silicates with Tobermorite-Like Structure","Journal of the American Chemical Society","2003","125","","14573","14579","10.1021/ja036988p","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0764","2.41","","","","","","","has coordinates","213922","2020-10-21","18:00:00",""
"4114382","10.4","0.01","6.717","0.006","5.962","0.007","80.37","0.05","118.08","0.05","114.8","0.05","333.3","0.6","293","2","293","2","","","","","","","","3","P 1","P 1","1","cellulose","","","- C12 H24 O10 -","- C12 H14 O10 -","- C12 H14 O10 -","1","1","","Yoshiharu Nishiyama; Junji Sugiyama; Henri Chanzy; Paul Langan","Crystal Structure and Hydrogen Bonding System in Cellulose Iαfrom Synchrotron X-ray and Neutron Fiber Diffraction","Journal of the American Chemical Society","2003","125","","14300","14306","10.1021/ja037055w","","","0.7206","synchrotron","","0.1867","0.1779","","","0.4296","0.4353","","","","","","2.408","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114383","10.4","0.0005","6.717","0.006","5.962","0.007","80.37","0.05","118.08","0.05","114.8","0.05","333.3","0.5","293","2","293","2","","","","","","","","4","P 1","P 1","1","cellulose","","","- C12 H14 D10 O6 -","- C12 H14 D6 O10 -","- C12 H14 D6 O10 -","1","1","","Yoshiharu Nishiyama; Junji Sugiyama; Henri Chanzy; Paul Langan","Crystal Structure and Hydrogen Bonding System in Cellulose Iαfrom Synchrotron X-ray and Neutron Fiber Diffraction","Journal of the American Chemical Society","2003","125","","14300","14306","10.1021/ja037055w","","","1.3058","","","0.205","0.2049","","","0.4566","0.4566","","","","","","2.688","","","","has coordinates,has disorder","178914","2020-10-21","18:00:00",""
"4114384","4.9128","0.0018","14.764","0.005","13.671","0.005","90","","98.129","0.006","90","","981.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","HBPEt","4-Ethyl-4H-bis[1,2,3]dithiazolo[4,5-b:5',4'-e]pyridin-yl","","- C7 H6 N3 S4 -","- C7 H6 N3 S4 -","- C28 H24 N12 S16 -","4","1","","Leanne Beer; James F. Britten; Jaclyn L. Brusso; A. Wallace Cordes; Robert C. Haddon; Mikhail E. Itkis; Douglas S. MacGregor; Richard T. Oakley; Robert W. Reed; Craig M. Robertson","Prototypal Dithiazolodithiazolyl Radicals: Synthesis, Structures, and Transport Properties","Journal of the American Chemical Society","2003","125","","14394","14403","10.1021/ja0371350","","","0.71073","MoKα","","0.0628","0.037","","","0.0851","0.0935","","","","","","1.018","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114385","19.2352","0.0008","6.0039","0.0003","8.1627","0.0004","90","","90","","90","","942.68","0.08","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-(3-aminophenyl)phenol","","- C12 H11 N O -","- C12 H11 N O -","- C48 H44 N4 O4 -","4","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0519","0.0378","","","0.093","0.1","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114386","5.918","0.0012","19.213","0.004","9.651","0.0019","90","","101.25","0.03","90","","1076.3","0.4","12","1","12","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-aminobenzyl)phenol","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","neutron","","neutron","","0.0793","0.0791","","","0.223","0.2231","","","","","","1.081","","","","has coordinates","209450","2020-10-21","18:00:00",""
"4114387","5.982","0.0003","19.367","0.0009","9.739","0.0004","90","","100.86","0.002","90","","1108.09","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-aminobenzyl)phenol","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0599","0.0449","","","0.1049","0.1131","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114388","13.682","0.003","5.2619","0.0011","8.1916","0.0016","90","","107.28","0.03","90","","563.1","0.2","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-(4-aminophenethyl)phenol","","- C14 H15 N O -","- C14 H15 N O -","- C28 H30 N2 O2 -","2","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0448","0.0405","","","0.1087","0.1137","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114389","23.937","0.0007","6.216","0.0002","8.397","0.0003","90","","90","","90","","1249.41","0.07","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-[3-(4-aminophenyl)propyl]phenol","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.051","0.0389","","","0.0856","0.0918","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114390","15.7888","0.0016","5.2088","0.0006","8.3399","0.0008","90","","100.912","0.005","90","","673.48","0.12","105","2","105","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-[4-(4-aminophenyl)butyl]phenol","","- C16 H19 N O -","- C16 H19 N O -","- C32 H38 N2 O2 -","2","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0615","0.0418","","","0.0921","0.1038","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114391","14.9554","0.0009","11.237","0.0008","8.6841","0.0006","90","","90.893","0.003","90","","1459.22","0.17","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-[5-(4-aminophenyl)pentyl]phenol","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","2","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0418","0.0355","","","0.0885","0.0938","","","","","","1.033","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114392","9.8597","0.0003","10.0879","0.0003","21.8081","0.0007","90","","102.809","0.001","90","","2115.13","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-aminophenylsulfamyl)phenol","","- C12 H11 N O S -","- C12 H11 N O S -","- C96 H88 N8 O8 S8 -","8","2","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0611","0.0437","","","0.117","0.1275","","","","","","1.041","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114393","13.844","0.003","5.1626","0.001","8.2485","0.0016","90","","107.22","0.03","90","","563.1","0.2","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","4-(4-aminobenzylsulfamyl)phenol","","- C13 H13 N O S -","- C13 H13 N O S -","- C26 H26 N2 O2 S2 -","2","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","1.54178","CuKα","","0.0497","0.0435","","","0.117","0.1259","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114394","13.7422","0.0012","5.1725","0.0004","8.3055","0.0007","90","","105.548","0.004","90","","568.76","0.08","120","2","120","2","","","","","","","","5","P 1 c 1","P -2yc","7","","4-(4-aminophenylsulfamylmethyl)phenol","","- C13 H13 N O S -","- C13 H13 N O S -","- C26 H26 N2 O2 S2 -","2","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0533","0.0402","","","0.0841","0.0882","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114395","10.4321","0.0012","8.1179","0.0011","14.791","0.002","90","","109.633","0.006","90","","1179.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-aminophenyldisulfamyl)phenol","","- C12 H11 N O S2 -","- C12 H11 N O S2 -","- C48 H44 N4 O4 S8 -","4","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0417","0.0348","","","0.0836","0.0871","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114396","12.6341","0.0009","5.8636","0.0004","8.5671","0.0005","90","","90.351","0.003","90","","634.65","0.07","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","4-[2-(4-aminophenylsulfamyl)ethyl]phenol","","- C14 H15 N O S -","- C14 H15 N O S -","- C28 H30 N2 O2 S2 -","2","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0337","0.0322","","","0.0822","0.0835","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114397","12.951","0.008","5.226","0.003","8.046","0.003","90","","98.12","0.03","90","","539.1","0.5","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-[(E)-2-(4-aminophenyl)-1-ethenyl]phenol","","- C14 H13 N O -","- C14 H13 N O -","- C28 H26 N2 O2 -","2","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0554","0.0392","","","0.0996","0.1122","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114398","22.4911","0.0011","5.4647","0.0002","8.0466","0.0004","90","","95.674","0.002","90","","984.14","0.08","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-(4-aminophenoxy)phenol","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0332","0.0329","","","0.0863","0.0866","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114399","7.981","0.0007","17.469","0.002","14.626","0.001","90","","104.344","0.001","90","","1975.6","0.3","123.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N O Zr -","- C21 H29 N O Zr -","- C84 H116 N4 O4 Zr4 -","4","1","","Suzanne A. Blum; Patrick J. Walsh; Robert G. Bergman","Epoxide-Opening and Group-Transfer Reactions Mediated by Monomeric Zirconium Imido Complexes","Journal of the American Chemical Society","2003","125","","14276","14277","10.1021/ja037267t","","","0.7107","MoKα","","","0.04","","","","0.0468","","","","","","1.398","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114400","9.88","0.001","24.145","0.003","8.214","0.001","90","","108.288","0.002","90","","1860.5","0.4","143.2","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H29 N O Zr -","- C21 H29 N O Zr -","- C84 H116 N4 O4 Zr4 -","4","1","","Suzanne A. Blum; Patrick J. Walsh; Robert G. Bergman","Epoxide-Opening and Group-Transfer Reactions Mediated by Monomeric Zirconium Imido Complexes","Journal of the American Chemical Society","2003","125","","14276","14277","10.1021/ja037267t","","","0.7107","MoKα","","","0.0387","","","","0.0431","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114401","8.599","0.013","40.63","0.04","8.717","0.014","90","","108.85","0.04","90","","2882","7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 N O Zr -","- C36 H41 N O Zr -","- C144 H164 N4 O4 Zr4 -","4","1","","Suzanne A. Blum; Patrick J. Walsh; Robert G. Bergman","Epoxide-Opening and Group-Transfer Reactions Mediated by Monomeric Zirconium Imido Complexes","Journal of the American Chemical Society","2003","125","","14276","14277","10.1021/ja037267t","","","0.8856","synchrotron","","0.0457","0.0338","","","0.0747","0.077","","","","","","1.345","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114402","10.504","0.001","10.981","0.001","16.801","0.002","98.244","0.002","104.656","0.002","93.355","0.001","1846.4","0.3","118.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H51 N O Zr -","- C48 H51 N O Zr -","- C96 H102 N2 O2 Zr2 -","2","1","","Suzanne A. Blum; Patrick J. Walsh; Robert G. Bergman","Epoxide-Opening and Group-Transfer Reactions Mediated by Monomeric Zirconium Imido Complexes","Journal of the American Chemical Society","2003","125","","14276","14277","10.1021/ja037267t","","","0.7107","MoKα","","","0.0532","","","","0.0617","","","","","","1.422","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114403","23.291","0.005","13.814","0.003","23.758","0.005","90","","103.965","0.003","90","","7418","3","173.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H107 K O10 Ta2 -","- C76 H108 K2 O10 Ta2 -","- C304 H432 K8 O40 Ta8 -","4","0.5","","Hiroyuki Kawaguchi; Tsukasa Matsuo","Aryl-Oxygen Bond Cleavage by a Trihydride-Bridging Ditantalum Complex","Journal of the American Chemical Society","2003","125","","14254","14255","10.1021/ja037551k","","","0.7107","MoKα","","","0.029","","","","0.07","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114404","12.48","0.003","12.884","0.003","24.519","0.006","81.175","0.005","82.109","0.006","86.36","0.005","3855.3","1.6","293.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C83 H111 Li O8 Ta2 -","- C83 H97 Li O8 Ta2 -","- C166 H194 Li2 O16 Ta4 -","2","1","","Hiroyuki Kawaguchi; Tsukasa Matsuo","Aryl-Oxygen Bond Cleavage by a Trihydride-Bridging Ditantalum Complex","Journal of the American Chemical Society","2003","125","","14254","14255","10.1021/ja037551k","","","0.7107","MoKα","","","0.032","","","","0.075","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114405","17.773","0.003","17.833","0.005","17.925","0.004","88.551","0.01","64.739","0.007","83.902","0.01","5108","2","173.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C94 H139 K O15.5 Ta2 -","- C94 H123 K2 O15.5 Ta2 -","- C188 H246 K4 O31 Ta4 -","2","1","","Hiroyuki Kawaguchi; Tsukasa Matsuo","Aryl-Oxygen Bond Cleavage by a Trihydride-Bridging Ditantalum Complex","Journal of the American Chemical Society","2003","125","","14254","14255","10.1021/ja037551k","","","0.7107","MoKα","","","0.054","","","","0.137","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114406","11.341","0.005","12.419","0.006","28.25","0.011","87.84","0.02","79.62","0.02","84.042","0.013","3892","3","173.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H95 Li O7 Ta2 -","- C72 H95 Li O7 Ta2 -","- C144 H190 Li2 O14 Ta4 -","2","1","","Hiroyuki Kawaguchi; Tsukasa Matsuo","Aryl-Oxygen Bond Cleavage by a Trihydride-Bridging Ditantalum Complex","Journal of the American Chemical Society","2003","125","","14254","14255","10.1021/ja037551k","","","0.7107","MoKα","","","0.065","","","","0.185","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114407","9.651","0.0004","10.32","0.0004","10.886","0.0004","86.489","0.002","86.233","0.002","83.437","0.0017","1073.21","0.07","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","2","","Mikio Sasaki; Andrei K. Yudin","Oxidative Cycloamination of Olefins with Aziridines as a Versatile Route to Saturated Nitrogen-Containing Heterocycles","Journal of the American Chemical Society","2003","125","","14242","14243","10.1021/ja037726q","","","0.71073","MoKα","","0.0908","0.0493","","","0.1245","0.1463","","","","","","1.004","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114408","15.29","0.0009","15.29","0.0009","6.905","0.0003","90","","90","","120","","1398.01","0.13","145","2","145","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H28 Ag6 Fe3 N24 O2 -","- C48 H24 Ag6 Fe3 N24 O2 -","- C48 H24 Ag6 Fe3 N24 O2 -","1","0.166667","","Ana Galet; Virginie Niel; M. Carmen Muñoz; José A. Real","Synergy between Spin Crossover and Metallophilicity in Triple Interpenetrated 3D Nets with the NbO Structure Type","Journal of the American Chemical Society","2003","125","","14224","14225","10.1021/ja0377347","","","0.71073","MoKα","","0.0637","0.0333","","","0.0629","0.0693","","","","","","0.961","","","","has coordinates,has disorder","178915","2020-10-21","18:00:00",""
"4114409","15.707","0.0009","15.707","0.0009","7.204","0.0003","90","","90","","120","","1539.19","0.14","240","2","240","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H28 Ag6 Fe3 N24 O2 -","- C48 Ag6 Fe3 N24 O2 -","- C48 Ag6 Fe3 N24 O2 -","1","0.166667","","Ana Galet; Virginie Niel; M. Carmen Muñoz; José A. Real","Synergy between Spin Crossover and Metallophilicity in Triple Interpenetrated 3D Nets with the NbO Structure Type","Journal of the American Chemical Society","2003","125","","14224","14225","10.1021/ja0377347","","","0.71073","MoKα","","0.1382","0.0879","","","0.2393","0.2725","","","","","","1.017","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114410","16.0199","0.0018","11.1848","0.0013","12.1863","0.0014","90","","102.917","0.002","90","","2128.3","0.4","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C21 H30 Ir N O4 -","- C21 H30 Ir N O4 -","- C84 H120 Ir4 N4 O16 -","4","0.5","","Antek G. Wong-Foy; Gaurav Bhalla; Xiang Yang Liu; Roy A. Periana","Alkane C-H Activation and Catalysis by an O-Donor Ligated Iridium Complex","Journal of the American Chemical Society","2003","125","","14292","14293","10.1021/ja037849a","","","0.71073","MoKα","","0.0471","0.0382","","","0.0719","0.074","","","","","","1.244","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114411","7.2589","0.0004","10.2403","0.0005","13.9655","0.0007","74.568","0.001","85.452","0.001","74.785","0.001","965.55","0.09","193","2","193","2","","","","","","","","3","P -1","-P 1","2","frowh01","12a","","- C21 H26 O6 -","- C21 H26 O6 -","- C42 H52 O12 -","2","1","","Wei He; Xiufeng Sun; Alison J. Frontier","Polarizing the Nazarov Cyclization: Efficient Catalysis under Mild Conditions","Journal of the American Chemical Society","2003","125","","14278","14279","10.1021/ja037910b","","","0.71073","MoKα","","0.0495","0.0407","","","0.103","0.1085","","","","","","1.041","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114412","10.1639","0.0019","12.296","0.002","14.944","0.003","90","","109.88","0.01","90","","1756.3","0.6","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","frowh02","4a","","- C19 H22 O7 -","- C19 H22 O7 -","- C76 H88 O28 -","4","1","","Wei He; Xiufeng Sun; Alison J. Frontier","Polarizing the Nazarov Cyclization: Efficient Catalysis under Mild Conditions","Journal of the American Chemical Society","2003","125","","14278","14279","10.1021/ja037910b","","","0.71073","MoKα","","0.0515","0.04","","","0.0974","0.1032","","","","","","1.034","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114413","11.608","0.002","11.884","0.002","14.13","0.003","98.34","0.03","103.13","0.03","105.27","0.03","1787.2","0.8","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H42 Cl Ir N O2 P -","- C44 H42 Cl Ir N O2 P -","- C88 H84 Cl2 Ir2 N2 O4 P2 -","2","1","","Christoph A. Kiener; Chutian Shu; Christopher Incarvito; John F. Hartwig","Identification of an Activated Catalyst in the Iridium-Catalyzed Allylic Amination and Etherification. Increased Rates, Scope, and Selectivity","Journal of the American Chemical Society","2003","125","","14272","14273","10.1021/ja038319h","","","0.71073","MoKα","","0.0456","0.0335","","","0.0775","0.083","","","","","","1.112","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114414","10.15","0.002","19.125","0.004","20.818","0.004","90","","90","","90","","4041.2","1.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H50 Ir N O2 P2 -","- C47 H50 Ir N O2 P2 -","- C188 H200 Ir4 N4 O8 P8 -","4","1","","Christoph A. Kiener; Chutian Shu; Christopher Incarvito; John F. Hartwig","Identification of an Activated Catalyst in the Iridium-Catalyzed Allylic Amination and Etherification. Increased Rates, Scope, and Selectivity","Journal of the American Chemical Society","2003","125","","14272","14273","10.1021/ja038319h","","","0.71073","MoKα","","0.0542","0.0371","","","0.0685","0.074","","","","","","1.003","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114415","11.1747","0.001","16.058","0.0015","18.4175","0.0017","80.469","0.003","81.481","0.003","70.212","0.002","3051.7","0.5","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H82 Cl2 Fe Mg0.5 N6 O29.5 -","- C41 H82 Cl2 Fe Mg0.5 N6 O31 -","- C82 H164 Cl4 Fe2 Mg N12 O62 -","2","1","","Suraj Dhungana; Peter S. White; Alvin L. Crumbliss","Crystal and Molecular Structures of Ionophore-Siderophore Host-Guest Supramolecular Assemblies Relevant to Molecular Recognition","Journal of the American Chemical Society","2003","125","","14760","14767","10.1021/ja035778+","","","0.71073","MolybdenumKα","","0.127","0.07","","0.105","0.082","","","","","1.67","1.67","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114416","20.1473","0.0013","21.5778","0.0015","14.8013","0.001","90","","94.586","0.002","90","","6414","0.7","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46.67 H84.5 Cl2 Fe Mg0.5 N6 O26.5 -","- C47 H87 Cl2 Fe Mg0.5 N6 O31 -","- C188 H348 Cl8 Fe4 Mg2 N24 O124 -","4","1","","Suraj Dhungana; Peter S. White; Alvin L. Crumbliss","Crystal and Molecular Structures of Ionophore-Siderophore Host-Guest Supramolecular Assemblies Relevant to Molecular Recognition","Journal of the American Chemical Society","2003","125","","14760","14767","10.1021/ja035778+","","","0.71073","MolybdenumKα","","0.188","0.085","","0.114","0.096","","","","","2.41","2.41","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114417","19.8327","0.0011","20.4111","0.0011","15.1698","0.0008","90","","96.435","0.001","90","","6102.2","0.6","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H85 Cl2 Fe Mg0.5 N6 O28.5 -","- C39 H88 Cl2 Fe Mg0.5 N6 O29 -","- C156 H352 Cl8 Fe4 Mg2 N24 O116 -","4","1","","Suraj Dhungana; Peter S. White; Alvin L. Crumbliss","Crystal and Molecular Structures of Ionophore-Siderophore Host-Guest Supramolecular Assemblies Relevant to Molecular Recognition","Journal of the American Chemical Society","2003","125","","14760","14767","10.1021/ja035778+","","","0.71073","MolybdenumKα","","0.125","0.071","","0.091","0.086","","","","","2.48","2.48","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114418","11.7693","0.0009","17.6598","0.0014","18.4591","0.0015","90","","90","","90","","3836.6","0.5","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H63 Lu N2 O2 Si4 -","- C29 H63 Lu N2 O2 Si4 -","- C116 H252 Lu4 N8 O8 Si16 -","4","1","","Sukwon Hong; Shun Tian; Matthew V. Metz; Tobin J. Marks","C2-Symmetric Bis(oxazolinato)lanthanide Catalysts for Enantioselective Intramolecular Hydroamination/Cyclization","Journal of the American Chemical Society","2003","125","","14768","14783","10.1021/ja0364672","","","0.71073","MoKα","","0.0428","0.0286","","","0.0588","0.0624","","","","","","0.954","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114419","9.489","0.0019","9.5687","0.0019","11.685","0.002","84.38","0.03","78.94","0.03","83.32","0.03","1031.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 N2 O2 S2 Zn -","- C26 H16 N2 O2 S2 Zn -","- C52 H32 N4 O4 S4 Zn2 -","2","1","","Gui Yu; Shiwei Yin; Yunqi Liu; Zhigang Shuai; Daoben Zhu","Structures, Electronic States, and Electroluminescent Properties of a Zinc(II) 2-(2-Hydroxyphenyl)benzothiazolate Complex","Journal of the American Chemical Society","2003","125","","14816","14824","10.1021/ja0371505","","","0.71073","MoKα","","0.0635","0.0566","","","0.1452","0.1491","","","","","","1.072","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114420","9.5159","0.0005","9.5888","0.0006","11.7126","0.0009","84.229","0.0018","79.011","0.005","83.538","0.0011","1039.03","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 N2 O2 S2 Zn -","- C26 H16 N2 O2 S2 Zn -","- C52 H32 N4 O4 S4 Zn2 -","2","1","","Gui Yu; Shiwei Yin; Yunqi Liu; Zhigang Shuai; Daoben Zhu","Structures, Electronic States, and Electroluminescent Properties of a Zinc(II) 2-(2-Hydroxyphenyl)benzothiazolate Complex","Journal of the American Chemical Society","2003","125","","14816","14824","10.1021/ja0371505","","","0.71073","MoKα","","0.0421","0.0296","","","0.0698","0.0722","","","","","","0.944","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114421","7.1731","0.0001","9.5405","0.0001","27.2413","0.0004","90","","90","","90","","1864.26","0.04","173","2","173","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C6 H22 B18 Co Cs -","- C6 H22 B18 Co Cs -","- C24 H88 B72 Co4 Cs4 -","4","1","","Isabel Rojo; Francesc Teixidor; Raikko Kivekäs; Reijo Sillanpää; Clara Viñas","Formation of Bridging Alkene and Conjugated Dialkenes Exclusively Generated from Alkynes on the [3,3'-Co(1,2-C~2~B~9~H~11~)~2~]^-^ Platform. The Unique Hydroboration Role of [3,3'-Co(1,2-C~2~B~9~H~11~)~2~]^-^","Journal of the American Chemical Society","2003","125","","14720","14721","10.1021/ja037279e","","x-ray","0.71073","MoKα","","0.041","0.0297","","","0.0569","0.0603","","","","","","1.027","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114422","24.302","0.003","6.9786","0.0008","9.7306","0.0011","90","","91.644","0.002","90","","1649.6","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O3 S -","- C18 H23 N O3 S -","- C72 H92 N4 O12 S4 -","4","1","","Brian H. White; Marc L. Snapper","Ring-Opening Metathesis/Oxy-Cope Rearrangement: A New Strategy for the Synthesis of Bicyclic Medium Ring-Containing Compounds","Journal of the American Chemical Society","2003","125","","14901","14904","10.1021/ja037656n","","","0.71073","MoKα","","0.0649","0.0485","","","0.1294","0.1426","","","","","","1.019","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114423","24.461","0.003","5.3473","0.0007","17.869","0.003","90","","110.651","0.003","90","","2187.1","0.5","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","2","","Brian H. White; Marc L. Snapper","Ring-Opening Metathesis/Oxy-Cope Rearrangement: A New Strategy for the Synthesis of Bicyclic Medium Ring-Containing Compounds","Journal of the American Chemical Society","2003","125","","14901","14904","10.1021/ja037656n","","","0.71073","MoKα","","0.1093","0.0717","","","0.144","0.1616","","","","","","0.948","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114424","5.2065","0.0016","8.686","0.003","22.676","0.007","89.9","0.007","89.899","0.006","75.109","0.006","991","0.6","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","2","","Brian H. White; Marc L. Snapper","Ring-Opening Metathesis/Oxy-Cope Rearrangement: A New Strategy for the Synthesis of Bicyclic Medium Ring-Containing Compounds","Journal of the American Chemical Society","2003","125","","14901","14904","10.1021/ja037656n","","","0.71073","MoKα","","0.109","0.0673","","","0.152","0.1683","","","","","","1.003","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114425","5.1213","0.0006","9.2198","0.0011","25.2","0.003","90","","92.314","0.003","90","","1188.9","0.2","193","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C52 H80 O12 -","4","1","","Brian H. White; Marc L. Snapper","Ring-Opening Metathesis/Oxy-Cope Rearrangement: A New Strategy for the Synthesis of Bicyclic Medium Ring-Containing Compounds","Journal of the American Chemical Society","2003","125","","14901","14904","10.1021/ja037656n","","","0.71073","MoKα","","0.0611","0.0438","","","0.0969","0.1027","","","","","","1.023","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114426","5.7519","0.0005","23.9349","0.0019","8.0206","0.0006","90","","103.744","0.002","90","","1072.59","0.15","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Brian H. White; Marc L. Snapper","Ring-Opening Metathesis/Oxy-Cope Rearrangement: A New Strategy for the Synthesis of Bicyclic Medium Ring-Containing Compounds","Journal of the American Chemical Society","2003","125","","14901","14904","10.1021/ja037656n","","","0.71073","MoKα","","0.0546","0.0473","","","0.1291","0.1337","","","","","","1.06","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114427","14.8687","0.0013","7.1875","0.0007","33.273","0.003","90","","99.748","0.002","90","","3504.5","0.6","193","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N4 O5 -","- C18 H22 N4 O5 -","- C144 H176 N32 O40 -","8","1","","Brian H. White; Marc L. Snapper","Ring-Opening Metathesis/Oxy-Cope Rearrangement: A New Strategy for the Synthesis of Bicyclic Medium Ring-Containing Compounds","Journal of the American Chemical Society","2003","125","","14901","14904","10.1021/ja037656n","","","0.71073","MoKα","","0.0578","0.0417","","","0.1005","0.1147","","","","","","1.005","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114428","8.9176","0.0008","7.0349","0.0006","17.8156","0.0015","90","","104.347","0.002","90","","1082.79","0.16","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Brian H. White; Marc L. Snapper","Ring-Opening Metathesis/Oxy-Cope Rearrangement: A New Strategy for the Synthesis of Bicyclic Medium Ring-Containing Compounds","Journal of the American Chemical Society","2003","125","","14901","14904","10.1021/ja037656n","","","0.71073","MoKα","","0.0509","0.0448","","","0.1247","0.1289","","","","","","1.07","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114429","11.2135","0.0004","11.7384","0.0005","19.3086","0.0008","72.61","0.001","89.354","0.001","62.433","0.001","2125.66","0.15","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C49 H15 B2 Cl F24 -","- C49 H15 B2 Cl F24 -","- C98 H30 B4 Cl2 F48 -","2","1","","Stewart P. Lewis; Nicholas J. Taylor; Warren E. Piers; Scott Collins","Isobutene Polymerization Using a Chelating Diborane Co-Initiator","Journal of the American Chemical Society","2003","125","","14686","14687","10.1021/ja037725y","","","0.71073","MoKα","","0.0569","0.0468","","","0.0744","0.076","","","","","","1.593","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114430","8.9774","0.0009","9.571","0.002","15.452","0.003","94.17","0.01","92.33","0.02","113.752","0.008","1208.4","0.4","173.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Cr O3 Sn -","- C28 H22 Cr O3 Sn -","- C56 H44 Cr2 O6 Sn2 -","2","1","","Ilya D. Gridnev; Oleg L. Tok","""Electronic Lock"" in Chromiumtricarbonyl Complex of Cycloheptatrienyltin","Journal of the American Chemical Society","2003","125","","14700","14701","10.1021/ja0379621","","","0.7107","MoKα","","","0.0303","","","","0.0734","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114431","11.6505","0.0007","14.1206","0.0007","27.095","0.002","90","","91.227","0.002","90","","4456.4","0.5","123.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C57 H60 O2 -","- C57 H60 O2 -","- C228 H240 O8 -","4","0.5","","Eri Iwamoto; Katsuyuki Hirai; Hideo Tomioka","A Triplet Carbene Surviving a Week in Solution at Room Temperature","Journal of the American Chemical Society","2003","125","","14664","14665","10.1021/ja038423z","","","0.7107","MoKα","","","0.077","","","","0.121","","","","","","1.117","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114432","13.816","0.007","11.634","0.006","8.886","0.004","90","","90","","90","","1428.3","1.2","203","2","203","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H10 F6 O3 S Ti -","- C12 H10 F6 O3 S Ti -","- C48 H40 F24 O12 S4 Ti4 -","4","0.5","","Felicia L. Taw; Brian L. Scott; Jaqueline L. Kiplinger","Early Transition-Metal Perfluoroalkyl Complexes","Journal of the American Chemical Society","2003","125","","14712","14713","10.1021/ja038527+","","","0.71073","MoKα","","0.0648","0.061","","","0.1369","0.138","","","","","","2.05","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114433","7.78","0.003","16.761","0.006","16.121","0.006","90","","93.788","0.006","90","","2097.6","1.4","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 F4 Ti -","- C11 H10 F4 Ti -","- C88 H80 F32 Ti8 -","8","2","","Felicia L. Taw; Brian L. Scott; Jaqueline L. Kiplinger","Early Transition-Metal Perfluoroalkyl Complexes","Journal of the American Chemical Society","2003","125","","14712","14713","10.1021/ja038527+","","","0.71073","MoKα","","0.0417","0.0373","","","0.0995","0.1007","","","","","","1.818","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114434","17.001","0.004","23.958","0.005","7.6869","0.0016","90","","90","","90","","3131","1.2","193","2","193","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H22 O2 S -","- C18 H22 O2 S -","- C144 H176 O16 S8 -","8","1","","Fredrik P. Marmsäter; Graham K. Murphy; F. G. West","Cyclooctanoid Ring Systems from Mixed Acetals via Heteroatom-Assisted [1,2]-Shift of Oxonium Ylides","Journal of the American Chemical Society","2003","125","","14724","14725","10.1021/ja0387249","","","0.71073","MoKα","","0.1321","0.0727","","","0.1433","0.1674","","","","","","1.056","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114435","12.6104","0.0014","16.2906","0.0019","17.927","0.002","90","","90","","90","","3682.8","0.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H26 O5 S -","- C20 H26 O5 S -","- C160 H208 O40 S8 -","8","1","","Fredrik P. Marmsäter; Graham K. Murphy; F. G. West","Cyclooctanoid Ring Systems from Mixed Acetals via Heteroatom-Assisted [1,2]-Shift of Oxonium Ylides","Journal of the American Chemical Society","2003","125","","14724","14725","10.1021/ja0387249","","","0.71073","MoKα","","0.067","0.0481","","","0.1064","0.1143","","","","","","1.057","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114436","7.2034","0.0008","9.7662","0.001","12.7749","0.0014","82.283","0.002","85.747","0.002","74.337","0.002","856.83","0.16","293","2","566","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 O2 Si2 -","- C42 H40 O2 Si2 -","- C42 H40 O2 Si2 -","1","0.5","","Cecilia H. Marzabadi; J. Edgar Anderson; Jorge Gonzalez-Outeirino; Piers R. J. Gaffney; Christopher G. H. White; Derek A. Tocher; Louis J. Todaro","Why Are Silyl Ethers Conformationally Different from Alkyl Ethers? Chair-Chair Conformational Equilibria in Silyloxycyclohexanes and Their Dependence on the Substituents on Silicon. The Wider Roles of Eclipsing, of 1,3-Repulsive Steric Interactions, and of Attractive Steric Interactions","Journal of the American Chemical Society","2003","125","","15163","15173","10.1021/ja035936x","","","0.71073","MoKα","","0.0675","0.0566","","","0.1852","0.2081","","","","","","0.855","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114437","42.404","0.007","9.581","0.003","26.311","0.005","90","","96.37","0.02","90","","10623","4","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 O2 Si2 -","- C42 H40 O2 Si2 -","- C504 H480 O24 Si24 -","12","3","","Cecilia H. Marzabadi; J. Edgar Anderson; Jorge Gonzalez-Outeirino; Piers R. J. Gaffney; Christopher G. H. White; Derek A. Tocher; Louis J. Todaro","Why Are Silyl Ethers Conformationally Different from Alkyl Ethers? Chair-Chair Conformational Equilibria in Silyloxycyclohexanes and Their Dependence on the Substituents on Silicon. The Wider Roles of Eclipsing, of 1,3-Repulsive Steric Interactions, and of Attractive Steric Interactions","Journal of the American Chemical Society","2003","125","","15163","15173","10.1021/ja035936x","","","0.71073","Mo-Kα","","0.331","0.073","","0.487","","0.08","","","","","","1.917","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4114438","24.837","0.002","9.829","0.002","29.206","0.003","90","","96.53","0.08","90","","7084","2","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 O2 Si2 -","- C42 H40 O2 Si2 -","- C336 H320 O16 Si16 -","8","2","","Cecilia H. Marzabadi; J. Edgar Anderson; Jorge Gonzalez-Outeirino; Piers R. J. Gaffney; Christopher G. H. White; Derek A. Tocher; Louis J. Todaro","Why Are Silyl Ethers Conformationally Different from Alkyl Ethers? Chair-Chair Conformational Equilibria in Silyloxycyclohexanes and Their Dependence on the Substituents on Silicon. The Wider Roles of Eclipsing, of 1,3-Repulsive Steric Interactions, and of Attractive Steric Interactions","Journal of the American Chemical Society","2003","125","","15163","15173","10.1021/ja035936x","","","0.71073","Mo-Kα","","0.165","0.049","","0.278","","0.05","","","8.907","","","1.51","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114439","9.3219","0.0004","21.8875","0.001","13.9573","0.0007","90","","100.853","0.001","90","","2796.8","0.2","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N4 O6 -","- C32 H32 N4 O6 -","- C128 H128 N16 O24 -","4","1","","Linda S. Shimizu; Andrew D. Hughes; Mark D. Smith; Matthew J. Davis; B. Paul Zhang; Hans-Conrad zur Loye; Ken D. Shimizu","Self-Assembled Nanotubes that Reversibly Bind Acetic Acid Guests","Journal of the American Chemical Society","2003","125","","14972","14973","10.1021/ja036515i","","","0.71073","MoKα","","0.0758","0.0652","","","0.1373","0.143","","","","","","1.02","","","","has coordinates,has disorder","178915","2020-10-21","18:00:00",""
"4114440","10.0624","0.001","12.3645","0.0013","12.4164","0.0013","85.8","0.002","67.881","0.002","78.339","0.002","1401.6","0.3","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 Cl12 D4 N6 O4 -","- C46 H54 Cl12 N6 O4 -","- C46 H54 Cl12 N6 O4 -","1","0.5","","Linda S. Shimizu; Andrew D. Hughes; Mark D. Smith; Matthew J. Davis; B. Paul Zhang; Hans-Conrad zur Loye; Ken D. Shimizu","Self-Assembled Nanotubes that Reversibly Bind Acetic Acid Guests","Journal of the American Chemical Society","2003","125","","14972","14973","10.1021/ja036515i","","","0.71073","MoKα","","0.0937","0.0595","","","0.1455","0.1604","","","","","","1.006","","","","has coordinates,has disorder","178915","2020-10-21","18:00:00",""
"4114441","6.922","0.001","14.335","0.003","11.798","0.002","90","","98.85","0.002","90","","1156.7","0.4","120.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","","Yuko Otani; Osamu Nagae; Yuji Naruse; Satoshi Inagaki; Masashi Ohno; Kentaro Yamaguchi; Gaku Yamamoto; Masanobu Uchiyama; Tomohiko Ohwada","An Evaluation of Amide Group Planarity in 7-Azabicyclo[2.2.1]heptane Amides. Low Amide Bond Rotation Barrier in Solution","Journal of the American Chemical Society","2003","125","","15191","15199","10.1021/ja036644z","","","0.7107","MoKα","","","0.0476","","","","0.0639","","","","","","0.853","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114442","6.842","0.002","14.423","0.004","11.783","0.003","90","","99.761","0.004","90","","1145.9","0.5","163.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C52 H56 Cl4 N4 O4 -","4","1","","Yuko Otani; Osamu Nagae; Yuji Naruse; Satoshi Inagaki; Masashi Ohno; Kentaro Yamaguchi; Gaku Yamamoto; Masanobu Uchiyama; Tomohiko Ohwada","An Evaluation of Amide Group Planarity in 7-Azabicyclo[2.2.1]heptane Amides. Low Amide Bond Rotation Barrier in Solution","Journal of the American Chemical Society","2003","125","","15191","15199","10.1021/ja036644z","","","0.7107","MoKα","","","0.0455","","","","0.0714","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114443","7.661","0.002","10.758","0.003","11.453","0.003","90","","90","","90","","943.9","0.4","163.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O -","- C11 H13 N O -","- C44 H52 N4 O4 -","4","1","","Yuko Otani; Osamu Nagae; Yuji Naruse; Satoshi Inagaki; Masashi Ohno; Kentaro Yamaguchi; Gaku Yamamoto; Masanobu Uchiyama; Tomohiko Ohwada","An Evaluation of Amide Group Planarity in 7-Azabicyclo[2.2.1]heptane Amides. Low Amide Bond Rotation Barrier in Solution","Journal of the American Chemical Society","2003","125","","15191","15199","10.1021/ja036644z","","","0.7107","MoKα","","","0.0545","","","","0.075","","","","","","0.725","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114444","10.093","0.002","10.011","0.002","11.451","0.003","90","","108.627","0.003","90","","1096.4","0.4","273.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl N O -","- C12 H14 Cl N O -","- C48 H56 Cl4 N4 O4 -","4","1","","Yuko Otani; Osamu Nagae; Yuji Naruse; Satoshi Inagaki; Masashi Ohno; Kentaro Yamaguchi; Gaku Yamamoto; Masanobu Uchiyama; Tomohiko Ohwada","An Evaluation of Amide Group Planarity in 7-Azabicyclo[2.2.1]heptane Amides. Low Amide Bond Rotation Barrier in Solution","Journal of the American Chemical Society","2003","125","","15191","15199","10.1021/ja036644z","","","0.7107","MoKα","","","0.0497","","","","0.0631","","","","","","0.647","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114445","13.002","0.003","6.553","0.001","13.755","0.003","90","","115.796","0.003","90","","1055.2","0.4","173.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","","Yuko Otani; Osamu Nagae; Yuji Naruse; Satoshi Inagaki; Masashi Ohno; Kentaro Yamaguchi; Gaku Yamamoto; Masanobu Uchiyama; Tomohiko Ohwada","An Evaluation of Amide Group Planarity in 7-Azabicyclo[2.2.1]heptane Amides. Low Amide Bond Rotation Barrier in Solution","Journal of the American Chemical Society","2003","125","","15191","15199","10.1021/ja036644z","","","0.7107","MoKα","","","0.0483","","","","0.0698","","","","","","0.674","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114446","10.144","0.001","15.382","0.002","13.469","0.002","90","","106.173","0.002","90","","2018.5","0.4","100","1","100","1","","","","","","","see text","2","P 1 21 1","P 2yb","4","","","","- C28 H24 -","- C28 H24 -","- C112 H96 -","4","2","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Increased Speed of Rotation for the Smallest Light-Driven Molecular Motor","Journal of the American Chemical Society","2003","125","","15076","15086","10.1021/ja036782o","","","0.71073","MoKα","","0.0923","0.0824","","","0.205","0.2161","","","","","","1.046","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114447","9.3938","0.0005","18.939","0.001","21.924","0.001","90","","90","","90","","3900.5","0.3","100","1","100","1","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","","","","- C28 H24 -","- C28 H24 -","- C224 H192 -","8","1","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Increased Speed of Rotation for the Smallest Light-Driven Molecular Motor","Journal of the American Chemical Society","2003","125","","15076","15086","10.1021/ja036782o","","","0.71073","MoKα","","0.0504","0.0446","","","0.1123","0.1175","","","","","","1.029","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114448","15.3944","0.0006","8.4977","0.0003","32.326","0.001","90","","90.753","0.003","90","","4228.4","0.3","173.2","","173.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H35 N O Si W -","- C19 H35 N O Si W -","- C152 H280 N8 O8 Si8 W8 -","8","1","","Stephen H. K. Ng; Craig S. Adams; Trevor W. Hayton; Peter Legzdins; Brian O. Patrick","Thermal Activation of Hydrocarbon C-H Bonds Initiated by a Tungsten Allyl Complex","Journal of the American Chemical Society","2003","125","","15210","15223","10.1021/ja037076q","","","0.7107","MoKα","","0.0526","0.036","","0.1071","","0.1071","","","1.597","","","1.597","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114449","14.2207","0.0007","15.9939","0.0007","19.5926","0.0009","90","","90","","90","","4456.2","0.4","173.2","","173.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H35 N O W -","- C24 H35 N O W -","- C192 H280 N8 O8 W8 -","8","1","","Stephen H. K. Ng; Craig S. Adams; Trevor W. Hayton; Peter Legzdins; Brian O. Patrick","Thermal Activation of Hydrocarbon C-H Bonds Initiated by a Tungsten Allyl Complex","Journal of the American Chemical Society","2003","125","","15210","15223","10.1021/ja037076q","","","0.7107","MoKα","","0.0632","0.031","","0.0815","","0.038","","","0.801","","","0.801","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114450","12.8869","0.0003","9.0219","0.0003","16.7835","0.0007","90","","92.439","0.002","90","","1949.55","0.11","173.2","","173.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N O W -","- C22 H3 N O W -","- C88 H12 N4 O4 W4 -","4","1","","Stephen H. K. Ng; Craig S. Adams; Trevor W. Hayton; Peter Legzdins; Brian O. Patrick","Thermal Activation of Hydrocarbon C-H Bonds Initiated by a Tungsten Allyl Complex","Journal of the American Chemical Society","2003","125","","15210","15223","10.1021/ja037076q","","","0.7107","MoKα","","0.0377","0.022","","0.066","","0.066","","","1.066","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114451","8.2431","0.0007","9.2094","0.0009","26.517","0.003","90","","90","","90","","2013","0.3","293","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 N O W -","- C21 H33 N O W -","- C84 H132 N4 O4 W4 -","4","1","","Stephen H. K. Ng; Craig S. Adams; Trevor W. Hayton; Peter Legzdins; Brian O. Patrick","Thermal Activation of Hydrocarbon C-H Bonds Initiated by a Tungsten Allyl Complex","Journal of the American Chemical Society","2003","125","","15210","15223","10.1021/ja037076q","","","0.71073","MoKα","","0.0297","0.0246","","","0.0474","0.0487","","","","","","0.882","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114452","14.8888","0.001","14.7065","0.0009","17.8503","0.0013","90","","90","","90","","3908.5","0.5","293","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H33 N O W -","- C21 H33 N O W -","- C168 H264 N8 O8 W8 -","8","1","","Stephen H. K. Ng; Craig S. Adams; Trevor W. Hayton; Peter Legzdins; Brian O. Patrick","Thermal Activation of Hydrocarbon C-H Bonds Initiated by a Tungsten Allyl Complex","Journal of the American Chemical Society","2003","125","","15210","15223","10.1021/ja037076q","","","0.71073","MoKα","","0.0456","0.0331","","","0.0803","0.0825","","","","","","0.888","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114453","9.1458","0.0005","13.65","0.0007","15.9576","0.0009","90","","98.724","0.003","90","","1969.1","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N O P W -","- C18 H32 N O P W -","- C72 H128 N4 O4 P4 W4 -","4","1","","Stephen H. K. Ng; Craig S. Adams; Trevor W. Hayton; Peter Legzdins; Brian O. Patrick","Thermal Activation of Hydrocarbon C-H Bonds Initiated by a Tungsten Allyl Complex","Journal of the American Chemical Society","2003","125","","15210","15223","10.1021/ja037076q","","","0.71073","MoKα","","0.0358","0.0281","","","0.0651","0.0668","","","","","","0.947","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114454","9.1734","0.0007","16.9621","0.0011","13.2647","0.001","90","","95.201","0.004","90","","2055.5","0.3","293","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 N O W -","- C21 H35 N O W -","- C84 H140 N4 O4 W4 -","4","1","","Stephen H. K. Ng; Craig S. Adams; Trevor W. Hayton; Peter Legzdins; Brian O. Patrick","Thermal Activation of Hydrocarbon C-H Bonds Initiated by a Tungsten Allyl Complex","Journal of the American Chemical Society","2003","125","","15210","15223","10.1021/ja037076q","","","0.71073","MoKα","","0.0378","0.0311","","","0.0727","0.0748","","","","","","0.983","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114455","25.27","0.006","5.0127","0.0012","15.667","0.004","90","","123.959","0.004","90","","1646.1","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H4 Br2 O2 S -","- C6 H4 Br2 O2 S -","- C48 H32 Br16 O16 S8 -","8","2","","Hong Meng; Dmitrii F. Perepichka; Michael Bendikov; Fred Wudl; Grant Z. Pan; Wenjiang Yu; Wenjian Dong; Stuart Brown","Solid-State Synthesis of a Conducting Polythiophene via an Unprecedented Heterocyclic Coupling Reaction","Journal of the American Chemical Society","2003","125","","15151","15162","10.1021/ja037115y","","","0.71073","MoKα","","0.0479","0.046","","","0.1186","0.1196","","","","","","1.027","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114456","5.1098","0.0008","7.7988","0.0012","20.306","0.003","90","","93.751","0.003","90","","807.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Cl2 O2 S -","- C6 H4 Cl2 O2 S -","- C24 H16 Cl8 O8 S4 -","4","1","","Hong Meng; Dmitrii F. Perepichka; Michael Bendikov; Fred Wudl; Grant Z. Pan; Wenjiang Yu; Wenjian Dong; Stuart Brown","Solid-State Synthesis of a Conducting Polythiophene via an Unprecedented Heterocyclic Coupling Reaction","Journal of the American Chemical Society","2003","125","","15151","15162","10.1021/ja037115y","","","0.71073","MoKα","","0.0465","0.0351","","","0.0968","0.1038","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114457","11.432","0.003","4.9022","0.0014","15.932","0.005","90","","96.396","0.006","90","","887.3","0.4","373","2","373","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 I2 O2 S -","- C6 H4 I2 O2 S -","- C24 H16 I8 O8 S4 -","4","1","","Hong Meng; Dmitrii F. Perepichka; Michael Bendikov; Fred Wudl; Grant Z. Pan; Wenjiang Yu; Wenjian Dong; Stuart Brown","Solid-State Synthesis of a Conducting Polythiophene via an Unprecedented Heterocyclic Coupling Reaction","Journal of the American Chemical Society","2003","125","","15151","15162","10.1021/ja037115y","","","0.71073","MoKα","","0.0321","0.0297","","","0.08","0.0811","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114458","16.7419","0.0005","16.7419","0.0005","18.2494","0.0011","90","","90","","90","","5115.1","0.4","91","2","91","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C25 H35 O6 Rb -","- C25 H35 O6 Rb -","- C200 H280 O48 Rb8 -","8","1","","Jacob S. Alexander; Damian G. Allis; Bruce S. Hudson; Karin Ruhlandt-Senge","An Examination of Metal-Ligand Binding Modes in Rubidium Diphenylmethanide","Journal of the American Chemical Society","2003","125","","15002","15003","10.1021/ja037201y","","","0.71073","MoKα","","0.0408","0.0314","","","0.0725","0.0774","","","","","","1.043","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114459","14.2054","0.0013","19.0969","0.0017","21.498","0.002","90","","90","","90","","5832","0.9","94","2","94","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C29 H43 O7 Rb -","- C29 H43 O7 Rb -","- C232 H344 O56 Rb8 -","8","1","","Jacob S. Alexander; Damian G. Allis; Bruce S. Hudson; Karin Ruhlandt-Senge","An Examination of Metal-Ligand Binding Modes in Rubidium Diphenylmethanide","Journal of the American Chemical Society","2003","125","","15002","15003","10.1021/ja037201y","","","0.71073","MoKα","","0.1385","0.1094","","","0.2212","0.2287","","","","","","1.249","","","","has coordinates,has disorder","178915","2020-10-21","18:00:00",""
"4114460","13.818","0.002","21.595","0.009","21.928","0.008","90","","90","","90","","6543","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Aib-Val-Gly-Leu-Aib-Val-D-Ala-D-Leu-Aib-OMe","t-Butyloxycarbonyl-leucyl-(alpha-aminoisobutyryl)-valyl-glycyl-leucyl- (alpha-aminoisobutyryl)-valyl-D-alanyl-D-leucyl-(alpha-aminoisobutyryl) methyl ester monohydrate","","- C51 H94 N10 O14 -","- C51 H92 N10 O14 -","- C204 H368 N40 O56 -","4","1","","Subrayashastry Aravinda; Narayanaswamy Shamala; Abhishek Bandyopadhyay; Padmanabhan Balaram","Probing the Role of the C-H...O Hydrogen Bond Stabilized Polypeptide Chain Reversal at the C-terminus of Designed Peptide Helices. Structural Characterization of Three Decapeptides","Journal of the American Chemical Society","2003","125","","15065","15075","10.1021/ja0372762","","","1.5418","CuKα","","0.1853","0.1059","","","0.2367","0.3042","","","","","","1.13","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114461","25.115","0.004","25.115","0.004","43.709","0.01","90","","90","","90","","27570","9","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Boc-Leu-Aib-Val-D-Ala-Leu-Aib-Val-D-Ala-D-Leu-Aib-OMe","t-Butyloxycarbonyl-leucyl-(alpha-aminoisobutyryl)-valyl-D-alanyl-leucyl- (alpha-aminoisobutyryl)-valyl-D-alanyl-D-leucyl-(alpha-aminoisobutyryl) methyl ester trihydrate","","- C52 H97 N10 O14.5 -","- C52 H94 N10 O14.5 -","- C832 H1504 N160 O232 -","16","2","","Subrayashastry Aravinda; Narayanaswamy Shamala; Abhishek Bandyopadhyay; Padmanabhan Balaram","Probing the Role of the C-H...O Hydrogen Bond Stabilized Polypeptide Chain Reversal at the C-terminus of Designed Peptide Helices. Structural Characterization of Three Decapeptides","Journal of the American Chemical Society","2003","125","","15065","15075","10.1021/ja0372762","","","0.71073","MoKα","","0.3442","0.0699","","","0.1565","0.2334","","","","","","0.795","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114462","20.185","0.006","30.163","0.008","25.969","0.01","90","","90","","90","","15811","9","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","Boc-Leu-Aib-Val-Aib-Leu-Aib-Val-D-Ala-D-Leu-Aib-OMe","t-Butyloxycarbonyl-leucyl-(alpha-aminoisobutyryl)-valyl-(alpha-aminoisobutyryl) -leucyl-(alpha-aminoisobutyryl)-valyl-D-alanyl-D-leucyl-(alpha-aminoisobutyryl) methyl ester monohydrate","","- C53 H98 N10 O14 -","- C53 H96 N10 O14 -","- C424 H768 N80 O112 -","8","1","","Subrayashastry Aravinda; Narayanaswamy Shamala; Abhishek Bandyopadhyay; Padmanabhan Balaram","Probing the Role of the C-H...O Hydrogen Bond Stabilized Polypeptide Chain Reversal at the C-terminus of Designed Peptide Helices. Structural Characterization of Three Decapeptides","Journal of the American Chemical Society","2003","125","","15065","15075","10.1021/ja0372762","","","0.71073","MoKα","","0.2156","0.1064","","","0.1854","0.2346","","","","","","0.96","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114463","9.3928","0.0013","9.5527","0.0014","18.941","0.003","76.966","0.003","78.834","0.003","74.785","0.003","1581.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H46 N4 O5 -","- C31 H46 N4 O5 -","- C62 H92 N8 O10 -","2","1","","Xin Zhao; Xiao-Zhong Wang; Xi-Kui Jiang; Ying-Qi Chen; Zhan-Ting Li; Guang-Ju Chen","Hydrazide-Based Quadruply Hydrogen-Bonded Heterodimers. Structure, Assembling Selectivity, and Supramolecular Substitution","Journal of the American Chemical Society","2003","125","","15128","15139","10.1021/ja037312x","","","0.71073","MoKα","","0.2172","0.0629","","","0.1329","0.1676","","","","","","0.662","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114464","10.6131","0.0003","11.0639","0.0003","27.486","0.0007","90","","90","","90","","3227.47","0.15","100","2","100","2","","","","","","","","2","F m m m","-F 2 2","69","[2.2]paracyclophane-1-ene","tricyclo[8.2.2.2^4,7^]hexadeca-1(13),2,4(16),5,7(15),10(14),11-heptaene","","- C16 H14 -","- C16 H14 -","- C192 H168 -","12","0.375","","Armin de Meijere; Sergei I. Kozhushkov; Karsten Rauch; Heiko Schill; Sergey P. Verevkin; Martin Kümmerlin; Hans-Dieter Beckhaus; Christoph Rüchardt; Dmitrii S. Yufit","Heats of Formation of [2.2]Paracyclophane-1-ene and [2.2]Paracyclophane-1,9-diene - An Experimental Study","Journal of the American Chemical Society","2003","125","","15110","15113","10.1021/ja0374628","","","0.71073","MoKα","","0.0537","0.0419","","","0.112","0.1237","","","","","","1.07","","","","has coordinates,has disorder","178915","2020-10-21","18:00:00",""
"4114465","10.7675","0.0008","11.155","0.0008","27.708","0.002","90","","90","","90","","3328","0.4","293","2","293","2","","","","","","","","2","F m m m","-F 2 2","69","[2.2]paracyclophane-1-ene","tricyclo[8.2.2.2^4,7^]hexadeca-1(13),2,4(16),5,7(15),10(14),11- heptaene","","- C16 H14 -","- C16 H14 -","- C192 H168 -","12","0.375","","Armin de Meijere; Sergei I. Kozhushkov; Karsten Rauch; Heiko Schill; Sergey P. Verevkin; Martin Kümmerlin; Hans-Dieter Beckhaus; Christoph Rüchardt; Dmitrii S. Yufit","Heats of Formation of [2.2]Paracyclophane-1-ene and [2.2]Paracyclophane-1,9-diene - An Experimental Study","Journal of the American Chemical Society","2003","125","","15110","15113","10.1021/ja0374628","","","0.71073","MoKα","","0.0812","0.0453","","","0.115","0.1401","","","","","","1.01","","","","has coordinates,has disorder","178915","2020-10-21","18:00:00",""
"4114466","7.6638","0.0009","14.8667","0.0017","7.8149","0.0009","90","","90","","90","","890.39","0.18","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ga0.5 Gd5 Ge3.5 -","- Ga0.52 Gd5 Ge3.52 -","- Ga2.08 Gd20 Ge14.08 -","4","0.5","","Yurij Mozharivskyj; Wonyoung Choe; Alexandra O. Pecharsky; Gordon J. Miller","Phase Transformation Driven by Valence Electron Concentration: Tuning Interslab Bond Distances in Gd5GaxGe4-x","Journal of the American Chemical Society","2003","125","","15183","15190","10.1021/ja037649z","","","0.71073","MoKα","","0.05","0.0462","","","0.0986","0.1004","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114467","7.6195","0.0008","14.8375","0.0015","7.8162","0.0008","90","","90","","90","","883.66","0.16","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ga0.7 Gd5 Ge3.3 -","- Ga0.7968 Gd5.69 Ge3.756 -","- Ga3.1872 Gd22.76 Ge15.024 -","4","0.5","","Yurij Mozharivskyj; Wonyoung Choe; Alexandra O. Pecharsky; Gordon J. Miller","Phase Transformation Driven by Valence Electron Concentration: Tuning Interslab Bond Distances in Gd5GaxGe4-x","Journal of the American Chemical Society","2003","125","","15183","15190","10.1021/ja037649z","","","0.71073","MoKα","","0.0667","0.0651","","","0.169","0.17","","","","","","1.269","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114468","7.6829","0.0018","14.811","0.004","7.7736","0.0018","90","","90","","90","","884.6","0.4","273","2","273","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd5 Ge4 -","- Gd5 Ge4 -","- Gd20 Ge16 -","4","0.5","","Yurij Mozharivskyj; Wonyoung Choe; Alexandra O. Pecharsky; Gordon J. Miller","Phase Transformation Driven by Valence Electron Concentration: Tuning Interslab Bond Distances in Gd5GaxGe4-x","Journal of the American Chemical Society","2003","125","","15183","15190","10.1021/ja037649z","","","0.71073","MoKα","","0.0515","0.0348","","","0.0632","0.0683","","","","","","1.021","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114469","7.524","0.006","14.826","0.011","7.828","0.006","90","","90","","90","","873.2","1.2","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ga Gd5 Ge3 -","- Ga Gd5 Ge3 -","- Ga4 Gd20 Ge12 -","4","0.5","","Yurij Mozharivskyj; Wonyoung Choe; Alexandra O. Pecharsky; Gordon J. Miller","Phase Transformation Driven by Valence Electron Concentration: Tuning Interslab Bond Distances in Gd5GaxGe4-x","Journal of the American Chemical Society","2003","125","","15183","15190","10.1021/ja037649z","","","0.71073","MoKα","","0.0717","0.0623","","","0.1502","0.1554","","","","","","1.149","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114470","7.5162","0.0007","14.9707","0.0014","7.9149","0.0007","90","","90","","90","","890.61","0.14","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ga2 Gd5 Ge2 -","- Ga2 Gd5 Ge2 -","- Ga8 Gd20 Ge8 -","4","0.5","","Yurij Mozharivskyj; Wonyoung Choe; Alexandra O. Pecharsky; Gordon J. Miller","Phase Transformation Driven by Valence Electron Concentration: Tuning Interslab Bond Distances in Gd5GaxGe4-x","Journal of the American Chemical Society","2003","125","","15183","15190","10.1021/ja037649z","","","0.71073","MoKα","","0.027","0.0232","","","0.0533","0.0544","","","","","","1.02","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114471","10.4487","0.0011","7.6652","0.0008","19.423","0.002","90","","101.093","0.002","90","","1526.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 O4 P -","- C17 H17 O4 P -","- C68 H68 O16 P4 -","4","1","","Ai-Yun Peng; Yi-Xiang Ding","The Synthesis of Phosphaisocoumarins by Cu(I)-Catalyzed Intramolecular Cyclization of o-Ethynylphenylphosphonic Acid Monoesters","Journal of the American Chemical Society","2003","125","","15006","15007","10.1021/ja038627f","","","0.71073","MoKα","","0.0647","0.0422","","","0.0886","0.0942","","","","","","0.893","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114472","8.0871","0.0004","8.2042","0.0004","20.635","0.001","90","","90","","90","","1369.09","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O5 S -","- C13 H17 N O5 S -","- C52 H68 N4 O20 S4 -","4","1","","Eric R. Ashley; Ernest G. Cruz; Brian M. Stoltz","The Total Synthesis of (-)-Lemonomycin","Journal of the American Chemical Society","2003","125","","15000","15001","10.1021/ja039223q","","","0.71073","MoKα","","0.0298","0.0288","","","0.059","0.0591","","","","","","2.819","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4114473","11.907","0.002","13.42","0.002","14.819","0.003","66.875","0.002","69.845","0.003","75.856","0.003","2028","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H44 N3 O13 S2 -","- C41 H44 N3 O13 S2 -","- C82 H88 N6 O26 S4 -","2","1","","Eric R. Ashley; Ernest G. Cruz; Brian M. Stoltz","The Total Synthesis of (-)-Lemonomycin","Journal of the American Chemical Society","2003","125","","15000","15001","10.1021/ja039223q","","","0.71073","MoKα","","0.1543","0.0784","","","0.1558","0.1704","","","","","","1.605","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4114474","13.8825","0.0007","8.8019","0.0004","13.4185","0.0007","90","","91.251","0.003","90","","1639.25","0.14","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C5 H13 B0.5 F2 Li0.5 N O -","- C5 H13 B0.5 F2 Li0.5 N O -","- C40 H104 B4 F16 Li4 N8 O8 -","8","1","","Antonio Ramírez; Emil Lobkovsky; David B. Collum","Hemilabile Ligands in Organolithium Chemistry: Substituent Effects on Lithium Ion Chelation","Journal of the American Chemical Society","2003","125","","15376","15387","10.1021/ja030322d","","","0.71073","MoKα","","0.0689","0.0523","","","0.1324","0.1418","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114475","7.8788","0.0002","13.4921","0.0003","12.9381","0.0003","90","","91.507","0.002","90","","1374.86","0.06","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 B F4 Li O6 -","- C8 H20 B F4 Li O4 -","- C32 H80 B4 F16 Li4 O16 -","4","1","","Antonio Ramírez; Emil Lobkovsky; David B. Collum","Hemilabile Ligands in Organolithium Chemistry: Substituent Effects on Lithium Ion Chelation","Journal of the American Chemical Society","2003","125","","15376","15387","10.1021/ja030322d","","","0.71073","MoKα","","0.0592","0.0467","","","0.1285","0.1366","","","","","","1.005","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114476","32.721","0.004","49.518","0.005","8.609","0.0008","90","","90","","90","","13949","3","100","2","100","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C24 H41 B F6 Fe2 N9.5 O5.25 P -","- C24 H39.5 B F6 Fe2 N9.5 O5.25 P -","- C384 H632 B16 F96 Fe32 N152 O84 P16 -","16","1","","Leonardo D. Slep; Ana Mijovilovich; Wolfram Meyer-Klaucke; Thomas Weyhermüller; Eckhard Bill; Eberhard Bothe; Frank Neese; Karl Wieghardt","Mixed-Valent {FeIV(μ-O)(μ-carboxylato)2FeIII}3+ Core","Journal of the American Chemical Society","2003","125","","15554","15570","10.1021/ja030377f","","","0.71073","MoKα","","0.0859","0.0541","","0.1165","0.1063","","","","1.034","1.107","1.107","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114477","18.0248","0.0006","9.6419","0.0001","14.8847","0.0005","90","","109.292","0.002","90","","2441.6","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N2 O3 P S -","- C25 H27 N2 O3 P S -","- C100 H108 N8 O12 P4 S4 -","4","1","","Paul B. Webb; Murielle F. Sellin; Thulani E. Kunene; Sylvia Williamson; Alexandra M. Z. Slawin; David J. Cole-Hamilton","Continuous Flow Hydroformylation of Alkenes in Supercritical Fluid-Ionic Liquid Biphasic Systems","Journal of the American Chemical Society","2003","125","","15577","15588","10.1021/ja035967s","","","0.71073","MoKα","","0.0655","0.0433","","","0.1036","0.1153","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114478","20.779","0.001","8.2761","0.0005","16.4341","0.0009","90","","90","","90","","2826.2","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28 H32 N4 P4 -","- C28 H32 N4 P4 -","- C112 H128 N16 P16 -","4","0.5","","June-Ho Jung; Julia C. Pomeroy; Hongming Zhang; Patty Wisian-Neilson","Isolation and Characterization of Nongeminal Cyclic Methylphenylphosphazene Tetramers","Journal of the American Chemical Society","2003","125","","15537","15542","10.1021/ja0374168","","","0.71073","MoKα","","0.046","0.036","","","0.096","0.101","","","","","","1.03","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114479","13.3078","0.0006","15.5628","0.0007","14.3446","0.0007","90","","105.967","0.004","90","","2856.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N4 P4 -","- C28 H32 N4 P4 -","- C112 H128 N16 P16 -","4","1","","June-Ho Jung; Julia C. Pomeroy; Hongming Zhang; Patty Wisian-Neilson","Isolation and Characterization of Nongeminal Cyclic Methylphenylphosphazene Tetramers","Journal of the American Chemical Society","2003","125","","15537","15542","10.1021/ja0374168","","","0.71073","MoKα","","0.058","0.041","","","0.104","0.111","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114480","13.738","0.001","10.766","0.001","19.522","0.002","90","","90","","90","","2887.4","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H32 N4 P4 -","- C28 H32 N4 P4 -","- C112 H128 N16 P16 -","4","0.5","","June-Ho Jung; Julia C. Pomeroy; Hongming Zhang; Patty Wisian-Neilson","Isolation and Characterization of Nongeminal Cyclic Methylphenylphosphazene Tetramers","Journal of the American Chemical Society","2003","125","","15537","15542","10.1021/ja0374168","","","0.71073","MoKα","","0.056","0.041","","","0.102","0.109","","","","","","1.03","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114481","9.2385","0.0008","10.6957","0.0008","16.462","0.001","82.353","0.006","84.901","0.007","65.694","0.006","1468.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N4 P4 -","- C28 H32 N4 P4 -","- C56 H64 N8 P8 -","2","1","","June-Ho Jung; Julia C. Pomeroy; Hongming Zhang; Patty Wisian-Neilson","Isolation and Characterization of Nongeminal Cyclic Methylphenylphosphazene Tetramers","Journal of the American Chemical Society","2003","125","","15537","15542","10.1021/ja0374168","","","0.71073","MoKα","","0.063","0.043","","","0.108","0.116","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114482","13.176","0.0003","13.4661","0.0003","23.1766","0.0005","91.591","0.001","91.104","0.001","104.474","0.001","3978.7","0.15","159","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H60 N6 Os P3 Re5 Se8 -","- C78 H57 N6 Os1.02 P3 Re4.98 Se8 -","- C156 H114 N12 Os2.04 P6 Re9.96 Se16 -","2","1","","Eric G. Tulsky; Nathan R. M. Crawford; Stéphane A. Baudron; Patrick Batail; Jeffrey R. Long","Cluster-to-Metal Magnetic Coupling: Synthesis and Characterization of 25-Electron [Re6-nOsnSe8(CN)6](5-n)- (n = 1, 2) Clusters and {Re6-nOsnSe8[CNCu(Me6tren)]6}9+ (n = 0, 1, 2) Assemblies","Journal of the American Chemical Society","2003","125","","15543","15553","10.1021/ja037444q","","","0.71073","MoKα","","0.0732","0.0408","","0.0946","0.0878","","","","0.903","1.075","1.075","","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114483","12.1936","0.0004","19.5516","0.0005","27.723","0.0003","90","","102.688","0.001","90","","6447.9","0.3","131","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C57 H46 N7 O Os2 P2 Re4 Se8 -","- C59 H20 N7 O Os1.98 P2 Re4.02 Se8 -","- C236 H80 N28 O4 Os7.92 P8 Re16.08 Se32 -","4","0.5","","Eric G. Tulsky; Nathan R. M. Crawford; Stéphane A. Baudron; Patrick Batail; Jeffrey R. Long","Cluster-to-Metal Magnetic Coupling: Synthesis and Characterization of 25-Electron [Re6-nOsnSe8(CN)6](5-n)- (n = 1, 2) Clusters and {Re6-nOsnSe8[CNCu(Me6tren)]6}9+ (n = 0, 1, 2) Assemblies","Journal of the American Chemical Society","2003","125","","15543","15553","10.1021/ja037444q","","","0.71073","MoKα","","0.0954","0.0469","","0.1124","0.0997","","","","0.916","1.084","1.084","","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114484","15.1987","0.0011","20.0425","0.0003","15.5439","0.0009","90","","113.895","0.005","90","","4329.1","0.4","150","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C54 H108 N9 Na Os Re5 Se8 -","- C38 H72 N8 Na Os1.02 Re4.98 Se8 -","- C76 H144 N16 Na2 Os2.04 Re9.96 Se16 -","2","0.25","","Eric G. Tulsky; Nathan R. M. Crawford; Stéphane A. Baudron; Patrick Batail; Jeffrey R. Long","Cluster-to-Metal Magnetic Coupling: Synthesis and Characterization of 25-Electron [Re6-nOsnSe8(CN)6](5-n)- (n = 1, 2) Clusters and {Re6-nOsnSe8[CNCu(Me6tren)]6}9+ (n = 0, 1, 2) Assemblies","Journal of the American Chemical Society","2003","125","","15543","15553","10.1021/ja037444q","","","0.71073","MoKα","","0.1868","0.0869","","0.2763","0.2163","","","","1.014","1.18","1.18","","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114485","11.9445","0.0002","19.895","0.0003","14.012","","90","","95.281","0.001","90","","3315.62","0.07","130","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H50 Co N6 Os2 P2 Re4 Se8 -","- C64 H50 Co N6 Os1.98 P2 Re4.02 Se8 -","- C128 H100 Co2 N12 Os3.96 P4 Re8.04 Se16 -","2","0.5","","Eric G. Tulsky; Nathan R. M. Crawford; Stéphane A. Baudron; Patrick Batail; Jeffrey R. Long","Cluster-to-Metal Magnetic Coupling: Synthesis and Characterization of 25-Electron [Re6-nOsnSe8(CN)6](5-n)- (n = 1, 2) Clusters and {Re6-nOsnSe8[CNCu(Me6tren)]6}9+ (n = 0, 1, 2) Assemblies","Journal of the American Chemical Society","2003","125","","15543","15553","10.1021/ja037444q","","","0.71073","MoKα","","0.0567","0.0436","","0.1078","0.1028","","","","1.019","1.102","1.102","","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114486","27.1909","0.0004","27.1909","0.0004","27.1909","0.0004","90","","90","","90","","20103.5","0.5","158","2","293","2","","","","","","","","10","P a -3","-P 2ac 2ab 3","205","","","","- C87 H180 Cu6 F27 N30 O27 Os2 Re4 S9 Se8 -","- C115 H221.94 Cu6 F30 N44 O27 Os1.02 Re4.98 S9 Se8 -","- C460 H887.76 Cu24 F120 N176 O108 Os4.08 Re19.92 S36 Se32 -","4","0.166667","","Eric G. Tulsky; Nathan R. M. Crawford; Stéphane A. Baudron; Patrick Batail; Jeffrey R. Long","Cluster-to-Metal Magnetic Coupling: Synthesis and Characterization of 25-Electron [Re6-nOsnSe8(CN)6](5-n)- (n = 1, 2) Clusters and {Re6-nOsnSe8[CNCu(Me6tren)]6}9+ (n = 0, 1, 2) Assemblies","Journal of the American Chemical Society","2003","125","","15543","15553","10.1021/ja037444q","","","0.71073","MoKα","","0.2343","0.0628","","0.2503","0.1696","","","","1.31","1.554","1.554","","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114487","27.2115","0.0002","27.2115","0.0002","27.2115","0.0002","90","","90","","90","","20149.2","0.3","132","2","293","2","","","","","","","","10","P a -3","-P 2ac 2ab 3","205","","","","- C115 H222 Cu6 F27 N44 O27 Os2 Re4 S9 Se8 -","- C115 H221.94 Cu6 F27 N44 O27 Os1.98 Re4.02 S9 Se8 -","- C460 H887.76 Cu24 F108 N176 O108 Os7.92 Re16.08 S36 Se32 -","4","0.166667","","Eric G. Tulsky; Nathan R. M. Crawford; Stéphane A. Baudron; Patrick Batail; Jeffrey R. Long","Cluster-to-Metal Magnetic Coupling: Synthesis and Characterization of 25-Electron [Re6-nOsnSe8(CN)6](5-n)- (n = 1, 2) Clusters and {Re6-nOsnSe8[CNCu(Me6tren)]6}9+ (n = 0, 1, 2) Assemblies","Journal of the American Chemical Society","2003","125","","15543","15553","10.1021/ja037444q","","","0.71073","MoKα","","0.11","0.0593","","0.1686","0.1442","","","","1.546","1.787","1.787","","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114488","9.622","0.0008","9.968","0.0011","18.557","0.003","81.019","0.008","81.772","0.008","69.642","0.006","1640.6","0.4","130","2","130","2","","","","","","","","4","P -1","-P 1","2","UWFIV224-compound 8b","","","- C35 H54 N2 Pt -","- C35 H54 N2 Pt -","- C70 H108 N4 Pt2 -","2","1","","Ulrich Fekl; Werner Kaminsky; Karen I. Goldberg","β-Diiminate Platinum Complexes for Alkane Dehydrogenation","Journal of the American Chemical Society","2003","125","","15286","15287","10.1021/ja037781z","","","0.71073","MoKα","","0.0731","0.0597","","","0.1335","0.1415","","","","1.01","1.01","1.01","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114489","12.865","0.003","14.483","0.003","16.875","0.004","108.424","0.003","91.425","0.004","108.159","0.003","2807.8","1.1","118","2","118","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H41 N2 O2 -","- C32 H40.5 N2 O2 -","- C128 H162 N8 O8 -","4","2","","David A. Shultz; Rosario M. Fico; Hyoyoung Lee; Jeff W. Kampf; Kristin Kirschbaum; A. Alan Pinkerton; Paul D. Boyle","Mechanisms of Exchange Modulation in Trimethylenemethane-type Biradicals: The Roles of Conformation and Spin Density","Journal of the American Chemical Society","2003","125","","15426","15432","10.1021/ja037787o","","","0.71073","MoKα","","0.1045","0.0742","","","0.206","0.2282","","","","","","1.033","","","","has coordinates,has disorder","178915","2020-10-21","18:00:00",""
"4114490","6.1904","0.0011","12.73","0.003","17.528","0.004","85.858","0.008","80.307","0.008","83.199","0.009","1350","0.5","158","2","158","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 N2 O2 -","- C30 H44 N2 O2 -","- C60 H88 N4 O4 -","2","1","","David A. Shultz; Rosario M. Fico; Hyoyoung Lee; Jeff W. Kampf; Kristin Kirschbaum; A. Alan Pinkerton; Paul D. Boyle","Mechanisms of Exchange Modulation in Trimethylenemethane-type Biradicals: The Roles of Conformation and Spin Density","Journal of the American Chemical Society","2003","125","","15426","15432","10.1021/ja037787o","","","0.71073","MoKα","","0.1252","0.0544","","","0.1127","0.1303","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114491","15.034","0.002","8.4086","0.0011","19.42","0.003","90","","94.592","0.005","90","","2447.1","0.6","158","2","158","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C28 H36 N2 O2 -","- C28 H36 N2 O2 -","- C112 H144 N8 O8 -","4","1","","David A. Shultz; Rosario M. Fico; Hyoyoung Lee; Jeff W. Kampf; Kristin Kirschbaum; A. Alan Pinkerton; Paul D. Boyle","Mechanisms of Exchange Modulation in Trimethylenemethane-type Biradicals: The Roles of Conformation and Spin Density","Journal of the American Chemical Society","2003","125","","15426","15432","10.1021/ja037787o","","","0.71073","MoKα","","0.1185","0.0584","","","0.133","0.1642","","","","","","0.983","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114492","12.087","0.005","19.74","0.009","23.655","0.01","90","","90","","90","","5644","4","158","2","158","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H34 N2 O2 -","- C33 H34 N2 O2 -","- C264 H272 N16 O16 -","8","1","","David A. Shultz; Rosario M. Fico; Hyoyoung Lee; Jeff W. Kampf; Kristin Kirschbaum; A. Alan Pinkerton; Paul D. Boyle","Mechanisms of Exchange Modulation in Trimethylenemethane-type Biradicals: The Roles of Conformation and Spin Density","Journal of the American Chemical Society","2003","125","","15426","15432","10.1021/ja037787o","","","0.71073","MoKα","","0.101","0.0718","","","0.1737","0.1896","","","","","","0.966","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114493","6.2971","0.0005","11.9668","0.001","17.4475","0.0012","100.563","0.003","96.732","0.003","94.661","0.003","1276.46","0.17","25","5","25","5","","","","","","","","4","P -1","-P 1","2","","","","- C31 H40 N2 O2 -","- C31 H40 N2 O2 -","- C62 H80 N4 O4 -","2","1","","David A. Shultz; Rosario M. Fico; Hyoyoung Lee; Jeff W. Kampf; Kristin Kirschbaum; A. Alan Pinkerton; Paul D. Boyle","Mechanisms of Exchange Modulation in Trimethylenemethane-type Biradicals: The Roles of Conformation and Spin Density","Journal of the American Chemical Society","2003","125","","15426","15432","10.1021/ja037787o","","","0.71073","MoKα","","0.1031","0.0948","","","0.2259","0.2323","","","","","","1.249","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114494","9.9303","0.0005","8.5039","0.0004","22.03","0.001","90","","98.922","0.002","90","","1837.84","0.15","296.2","","296.2","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 -","- C27 H20 -","- C108 H80 -","4","1","","Tamaki Nakano; Tohru Yade","Synthesis, Structure, and Photophysical and Electrochemical Properties of a π-Stacked Polymer","Journal of the American Chemical Society","2003","125","","15474","15484","10.1021/ja037836x","","","0.7107","MoKα","","0.0684","0.042","","0.0896","","","","","0.964","","","0.964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114495","12.534","0.002","12.674","0.002","14.546","0.002","90","","101.975","0.005","90","","2260.4","0.6","296.2","","296.2","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 -","- C31 H28 -","- C124 H112 -","4","0.5","","Tamaki Nakano; Tohru Yade","Synthesis, Structure, and Photophysical and Electrochemical Properties of a π-Stacked Polymer","Journal of the American Chemical Society","2003","125","","15474","15484","10.1021/ja037836x","","","0.7107","MoKα","","","0.0551","","","","0.1398","","","","","","1.205","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114496","10.4024","0.0005","19.7052","0.0006","29.916","0.001","90","","92.6521","0.0006","90","","6125.7","0.4","296.2","","296.2","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C87 H68 -","- C83.31 H68 -","- C333.24 H272 -","4","1","","Tamaki Nakano; Tohru Yade","Synthesis, Structure, and Photophysical and Electrochemical Properties of a π-Stacked Polymer","Journal of the American Chemical Society","2003","125","","15474","15484","10.1021/ja037836x","","","0.7107","MoKα","","0.0971","0.066","","0.1446","","","","","1.305","","","1.305","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114497","13.2214","0.0003","13.3664","0.0002","19.0154","0.0001","90","","92.523","0.001","90","","3357.19","0.09","296.2","","296.2","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 -","- C46 H40 -","- C184 H160 -","4","1","","Tamaki Nakano; Tohru Yade","Synthesis, Structure, and Photophysical and Electrochemical Properties of a π-Stacked Polymer","Journal of the American Chemical Society","2003","125","","15474","15484","10.1021/ja037836x","","","0.7107","MoKα","","0.0817","0.053","","0.0847","","","","","1.283","","","1.283","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114498","12.8765","0.0004","15.4623","0.0002","12.7814","0.0002","107.723","0.001","94.605","0.002","96.765","0.001","2388.91","0.09","296.2","","296.2","","","","","","","","","2","P -1","-P 1","2","","","","- C67 H56 -","- C67 H56 -","- C134 H112 -","2","1","","Tamaki Nakano; Tohru Yade","Synthesis, Structure, and Photophysical and Electrochemical Properties of a π-Stacked Polymer","Journal of the American Chemical Society","2003","125","","15474","15484","10.1021/ja037836x","","","0.7107","MoKα","","0.0982","0.075","","0.1181","","","","","2.003","","","2.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114499","16.6849","0.0005","12.2332","0.0005","15.4247","0.0005","90","","110.519","0.0008","90","","2948.6","0.18","296.2","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 -","- C41 H32 -","- C164 H128 -","4","0.5","","Tamaki Nakano; Tohru Yade","Synthesis, Structure, and Photophysical and Electrochemical Properties of a π-Stacked Polymer","Journal of the American Chemical Society","2003","125","","15474","15484","10.1021/ja037836x","","","0.7107","MoKα","","","0.0576","","","","0.14","","","","","","1.231","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114500","11.5072","0.0005","22.102","0.001","27.047","0.002","90","","89.836","0.001","90","","6878.9","0.7","296.2","","296.2","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C83 H62 -","- C83 H62 -","- C332 H248 -","4","1","","Tamaki Nakano; Tohru Yade","Synthesis, Structure, and Photophysical and Electrochemical Properties of a π-Stacked Polymer","Journal of the American Chemical Society","2003","125","","15474","15484","10.1021/ja037836x","","","0.7107","MoKα","","0.355","0.143","","0.3409","","","","","1.741","","","1.741","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114501","8.6145","0.0002","8.8525","0.0001","18.0214","0.0002","90","","90","","90","","1374.31","0.04","100","","100","","","","","","","","see paper","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 S -","- C14 H18 O3 S -","- C56 H72 O12 S4 -","4","1","","Christophe Aïssa; Ricardo Riveiros; Jacques Ragot; Alois Fürstner","Total Syntheses of Amphidinolide T1, T3, T4, and T5","Journal of the American Chemical Society","2003","125","","15512","15520","10.1021/ja038216z","","","0.71073","MoKα","","0.0257","0.0252","","","0.075","0.0756","","","","","","1.162","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114502","23.947","0.006","23.947","0.006","9.953","0.005","90","","90","","90","","5708","4","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C24 H52 Ce Mn8 N0 O40 -","- C24 H36 Ce Mn8 O40 -","- C96 H144 Ce4 Mn32 O160 -","4","0.5","","Anastasios J. Tasiopoulos; Wolfgang Wernsdorfer; Brian Moulton; Michael J. Zaworotko; George Christou","Template Synthesis and Single-Molecule Magnetism Properties of a Complex with Spin S=16 and a [Mn8O8]8+ Saddle-Like Core","Journal of the American Chemical Society","2003","125","","15274","15275","10.1021/ja0385134","","","0.71073","MoKα","","0.1496","0.0899","","","0.2163","0.245","","","","","","1.033","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114503","11.4887","0.0004","5.9506","0.0002","22.0286","0.0007","90","","93.419","0.002","90","","1503.3","0.09","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N2 O6 S2 -","- C32 H36 N2 O6 S2 -","- C64 H72 N4 O12 S4 -","2","0.5","","Jik Chin; Fabrizio Mancin; Nirusha Thavarajah; Donghyung Lee; Alan Lough; Doo Soo Chung","Controlling Diaza-Cope Rearrangement Reactions with Resonance-Assisted Hydrogen Bonds","Journal of the American Chemical Society","2003","125","","15276","15277","10.1021/ja0387554","","","0.71073","MoKα","","0.0717","0.0489","","","0.1171","0.1312","","","","","","1.023","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114504","12.573","0.0006","6.674","0.0003","14.677","0.001","90","","101.278","0.0018","90","","1207.8","0.11","150","1","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C60 H56 N4 O8 -","2","0.5","","Jik Chin; Fabrizio Mancin; Nirusha Thavarajah; Donghyung Lee; Alan Lough; Doo Soo Chung","Controlling Diaza-Cope Rearrangement Reactions with Resonance-Assisted Hydrogen Bonds","Journal of the American Chemical Society","2003","125","","15276","15277","10.1021/ja0387554","","","0.71073","MoKα","","0.0616","0.0428","","","0.1062","0.1179","","","","","","1.025","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114505","6.766","0.0003","10.2215","0.0004","11.6018","0.0006","108.69","0.002","101.93","0.002","95.511","0.002","732.15","0.06","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 Cl3 N2 O5 -","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","1","0.5","","Jik Chin; Fabrizio Mancin; Nirusha Thavarajah; Donghyung Lee; Alan Lough; Doo Soo Chung","Controlling Diaza-Cope Rearrangement Reactions with Resonance-Assisted Hydrogen Bonds","Journal of the American Chemical Society","2003","125","","15276","15277","10.1021/ja0387554","","","0.71073","MoKα","","0.1139","0.0852","","","0.2136","0.2328","","","","","","1.043","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114506","10.295","0.009","17.76","0.01","12.43","0.01","90","","92.31","0.03","90","","2271","3","93.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 B2 Br2 F14 O6 -","- C38 H50 B2 Br2 F14 O6 -","- C76 H100 B4 Br4 F28 O12 -","2","0.5","","Masahito Ochiai; Yoshio Nishi; Satoru Goto; Motoo Shiro; Hermann J. Frohn","Synthesis, Structure, and Reaction of 1-Alkynyl(aryl)-λ3-bromanes","Journal of the American Chemical Society","2003","125","","15304","15305","10.1021/ja038777q","","","0.7107","MoKα","","","0.0479","","","","0.0991","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114507","16.3629","0.0009","15.273","0.001","15.5365","0.0007","90","","103.475","0.004","90","","3775.9","0.4","296.2","","296.2","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C55 H40 -","- C55.832 H40 -","- C223.328 H160 -","4","0.5","","Tamaki Nakano; Tohru Yade","Synthesis, Structure, and Photophysical and Electrochemical Properties of a π-Stacked Polymer","Journal of the American Chemical Society","2003","125","","15474","15484","10.1021/ja037836x","","","0.7107","MoKα","","0.0597","0.042","","0.0777","","","","","1.401","","","1.401","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114508","12.8602","0.0015","22.101","0.003","13.791","0.0016","90","","107.936","0.002","90","","3729.2","0.8","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","bis{1-methylimidazole}octaethyltetraphenylporphinato Iron(III) chloride","","- C76 H86 Cl7 Fe N8 -","- C76 H86 Cl7 Fe N8 -","- C152 H172 Cl14 Fe2 N16 -","2","1","","Liliya A. Yatsunyk; Michael D. Carducci; F. Ann Walker","Low-Spin Ferriheme Models of the Cytochromes: Correlation of Molecular Structure with EPR Spectral Type","Journal of the American Chemical Society","2003","125","","15986","16005","10.1021/ja036398r","","","0.71073","MoKα","","0.0754","0.0563","","","0.1338","0.1445","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4114509","19.8263","0.0017","19.8263","0.0017","15.23","0.003","90","","90","","90","","5986.6","1.4","170","2","170","2","","","","","","","","5","I 41/a :2","-I 4ad","88","[FeTC~6~TPP(1-MeIm)~2~]Cl","","","- C70 H68 Cl5 Fe N8 -","- C70 H68 Cl5 Fe N8 -","- C280 H272 Cl20 Fe4 N32 -","4","0.25","","Liliya A. Yatsunyk; Michael D. Carducci; F. Ann Walker","Low-Spin Ferriheme Models of the Cytochromes: Correlation of Molecular Structure with EPR Spectral Type","Journal of the American Chemical Society","2003","125","","15986","16005","10.1021/ja036398r","","","0.71073","MoKα","","0.1219","0.0565","","","0.1459","0.1731","","","","","","0.925","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114510","21.766","0.005","22.069","0.005","17.816","0.004","90","","127.096","0.003","90","","6826","3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Fe(III)OETPP","bis{4-(N,N-dymethyl)aminopyridine}octamethyltetraphenylporphinato Iron(III) chloride","","- C70 H72 Cl9 Fe N8 -","- C70 H72 Cl9 Fe N8 -","- C280 H288 Cl36 Fe4 N32 -","4","0.5","","Liliya A. Yatsunyk; Michael D. Carducci; F. Ann Walker","Low-Spin Ferriheme Models of the Cytochromes: Correlation of Molecular Structure with EPR Spectral Type","Journal of the American Chemical Society","2003","125","","15986","16005","10.1021/ja036398r","","","0.71073","MoKα","","0.0725","0.0535","","","0.1404","0.1606","","","","","","1.031","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4114511","15.9507","0.0013","23.2709","0.0019","19.5217","0.0016","90","","94.396","0.002","90","","7224.9","1","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Iron(III) chloride","bis{4-(N,N-dymethyl)aminopyridine}octamethyltetraphenylporphinato Iron(III) chloride","","- C70 H68 Cl13 Fe N8 -","- C70 H68 Cl13 Fe N8 -","- C280 H272 Cl52 Fe4 N32 -","4","1","","Liliya A. Yatsunyk; Michael D. Carducci; F. Ann Walker","Low-Spin Ferriheme Models of the Cytochromes: Correlation of Molecular Structure with EPR Spectral Type","Journal of the American Chemical Society","2003","125","","15986","16005","10.1021/ja036398r","","","0.71073","MoKα","","0.1504","0.0739","","","0.1882","0.2456","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4114512","14.078","0.0014","26.71","0.003","17.2488","0.0018","90","","96.765","0.002","90","","6440.8","1.2","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[FeOMTPP(2-MeHIm)2]Cl","bis{2-methylimidazole}octamethyltetraphenylporphyrinato Iron(III) chloride","","- C68 H70 Cl7 Fe N8 -","- C67.996 H70 Cl7 Fe N8 -","- C271.984 H280 Cl28 Fe4 N32 -","4","1","","Liliya A. Yatsunyk; Michael D. Carducci; F. Ann Walker","Low-Spin Ferriheme Models of the Cytochromes: Correlation of Molecular Structure with EPR Spectral Type","Journal of the American Chemical Society","2003","125","","15986","16005","10.1021/ja036398r","","","0.71073","MoKα","","0.1997","0.0759","","","0.1558","0.1895","","","","","","0.93","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4114513","13.8","0.006","15.151","0.007","16.566","0.008","66.513","0.014","71.841","0.013","88.719","0.012","2998","2","170","2","170","2","","","","","","","","5","P -1","-P 1","2","[FeOMTPP(2-MeHIm)2]Cl","bis{2-methylimidazole}octamethyltetraphenylporphyrinato Iron(III) chloride","","- C63 H62 Cl7 Fe N8 -","- C63 H62 Cl7 Fe N8 -","- C126 H124 Cl14 Fe2 N16 -","2","1","","Liliya A. Yatsunyk; Michael D. Carducci; F. Ann Walker","Low-Spin Ferriheme Models of the Cytochromes: Correlation of Molecular Structure with EPR Spectral Type","Journal of the American Chemical Society","2003","125","","15986","16005","10.1021/ja036398r","","","0.71073","MoKα","","0.1555","0.0806","","","0.1621","0.1897","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4114514","13.8856","0.001","10.1279","0.0007","18.5327","0.0013","90","","95.925","0.002","90","","2592.4","0.3","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","[Fe(III)OMTPP(1-MeIm)2]Cl","bis{1-methylimidazole}octamethyltetraphenylporphinato Iron(III) chloride","","- C61 H58 Cl3 Fe N8 -","- C60.999 H58 Cl2.998 Fe N8 -","- C121.998 H116 Cl5.996 Fe2 N16 -","2","1","","Liliya A. Yatsunyk; Michael D. Carducci; F. Ann Walker","Low-Spin Ferriheme Models of the Cytochromes: Correlation of Molecular Structure with EPR Spectral Type","Journal of the American Chemical Society","2003","125","","15986","16005","10.1021/ja036398r","","","0.71073","MoKα","","0.069","0.0505","","","0.12","0.1331","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4114515","26.153","0.002","26.153","0.002","26.153","0.002","90","","90","","90","","17888","2","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","[Fe(III)OMTPP(1-MeIm)2]Cl","bis{1-methylimidazole}octamethyltetraphenylporphinato Iron(III) chloride","","- C62.67 H58.67 Cl9 Fe N8 -","- C62.6667 H58.6667 Cl9 Fe N8 -","- C752 H704 Cl108 Fe12 N96 -","12","0.25","","Liliya A. Yatsunyk; Michael D. Carducci; F. Ann Walker","Low-Spin Ferriheme Models of the Cytochromes: Correlation of Molecular Structure with EPR Spectral Type","Journal of the American Chemical Society","2003","125","","15986","16005","10.1021/ja036398r","","","0.71073","MoKα","","0.149","0.0989","","","0.245","0.3047","","","","","","1.08","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4114516","31.558","0.018","5.377","0.005","7.943","0.005","90","","93.216","0.019","90","","1345.7","1.7","100","1","100","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","C6BP","4-n-hexylbiphenyl","","- C18 H22 -","- C18 H22 -","- C72 H88 -","4","1","","David J. Plaut; Stephen M. Martin; Kristian Kjaer; Markus J. Weygand; Meir Lahav; Leslie Leiserowitz; Isabelle Weissbuch; Michael D. Ward","Structural Characterization of Crystalline Ternary Inclusion Compounds at the Air-Water Interface","Journal of the American Chemical Society","2003","125","","15922","15934","10.1021/ja0371404","","","0.5594","synchrotron","","0.19","0.1527","","","0.3604","0.3801","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114517","7.6689","0.0016","7.9238","0.0016","38.321","0.008","90","","92.893","0.003","90","","2325.7","0.8","293","2","173","2","","","","","","","D. Plaut, Prof. M. Ward","5","P 1 21/c 1","-P 2ybc","14","guanidinium_4'-decylbiphenyl-4-sulfonate","","","- C23 H35 N3 O3 S -","- C23 H35 N3 O3 S -","- C92 H140 N12 O12 S4 -","4","1","","David J. Plaut; Stephen M. Martin; Kristian Kjaer; Markus J. Weygand; Meir Lahav; Leslie Leiserowitz; Isabelle Weissbuch; Michael D. Ward","Structural Characterization of Crystalline Ternary Inclusion Compounds at the Air-Water Interface","Journal of the American Chemical Society","2003","125","","15922","15934","10.1021/ja0371404","","","0.71073","MoKα","","0.1538","0.111","","","0.2138","0.2307","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114518","11.902","0.003","7.5617","0.0016","34.13","0.007","90","","94.679","0.005","90","","3061.4","1.2","293","2","173","2","","","","","","","D. Plaut, Prof. M. Ward","5","P 1 21/n 1","-P 2yn","14","guanidinium_4'-methylbiphenyl-4-sulfonate","","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C112 H136 N24 O24 S8 -","8","2","","David J. Plaut; Stephen M. Martin; Kristian Kjaer; Markus J. Weygand; Meir Lahav; Leslie Leiserowitz; Isabelle Weissbuch; Michael D. Ward","Structural Characterization of Crystalline Ternary Inclusion Compounds at the Air-Water Interface","Journal of the American Chemical Society","2003","125","","15922","15934","10.1021/ja0371404","","","0.71073","MoKα","","0.0955","0.058","","","0.1899","0.2052","","","","","","1.096","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114519","12.18","0.004","7.25","0.002","17.807","0.005","90","","100.204","0.006","90","","1547.6","0.8","173","2","173","2","","","","","","","D. Plaut, Prof. M. Ward","5","P 1 21 1","P 2yb","4","guanidinium_4'-ethylbiphenyl-4-sulfonate","","","- C15 H19 N3 O3 S -","- C15 H19 N3 O3 S -","- C60 H76 N12 O12 S4 -","4","2","","David J. Plaut; Stephen M. Martin; Kristian Kjaer; Markus J. Weygand; Meir Lahav; Leslie Leiserowitz; Isabelle Weissbuch; Michael D. Ward","Structural Characterization of Crystalline Ternary Inclusion Compounds at the Air-Water Interface","Journal of the American Chemical Society","2003","125","","15922","15934","10.1021/ja0371404","","","0.71073","MoKα","","0.0943","0.0594","","","0.142","0.1652","","","","","","1.032","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114520","7.4862","0.0011","7.6555","0.0012","33.449","0.005","90","","90","","90","","1917","0.5","173","2","173","2","","","","","","","D. Plaut, Prof. M. Ward","5","P 21 21 21","P 2ac 2ab","19","guanidinium_4'-hexylbiphenyl-4-sulfonate","","","- C19 H27 N3 O3 S -","- C19 H27 N3 O3 S -","- C76 H108 N12 O12 S4 -","4","1","","David J. Plaut; Stephen M. Martin; Kristian Kjaer; Markus J. Weygand; Meir Lahav; Leslie Leiserowitz; Isabelle Weissbuch; Michael D. Ward","Structural Characterization of Crystalline Ternary Inclusion Compounds at the Air-Water Interface","Journal of the American Chemical Society","2003","125","","15922","15934","10.1021/ja0371404","","","0.71073","MoKα","","0.0507","0.042","","","0.1112","0.1152","","","","","","1.105","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114521","23.4553","0.0002","7.9746","0.0001","17.2053","0.0002","90","","90","","90","","3218.19","0.06","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13 H19 B7 Co P -","- C13 H19 B7 Co P -","- C104 H152 B56 Co8 P8 -","8","1","","Daewon Hong; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Characterizations, and Coordination Chemistry of the 10-Vertex Phosphadicarbaboranes 6-R-arachno-6,8,9-PC2B7H11 and 6-R-arachno-6,5,7-PC2B7H11","Journal of the American Chemical Society","2003","125","","16058","16073","10.1021/ja037799+","","","0.71069","MoKα","","0.0398","0.0373","","0.0889","0.0873","","","","1.187","1.191","1.191","","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114522","12.5579","0.0001","15.6169","0.0002","12.6071","0.0001","90","","90","","90","","2472.45","0.04","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H16 B7 P -","- C8 H16 B7 P -","- C64 H128 B56 P8 -","8","1","","Daewon Hong; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Characterizations, and Coordination Chemistry of the 10-Vertex Phosphadicarbaboranes 6-R-arachno-6,8,9-PC2B7H11 and 6-R-arachno-6,5,7-PC2B7H11","Journal of the American Chemical Society","2003","125","","16058","16073","10.1021/ja037799+","","","0.71069","MoKα","","0.074","0.0685","","0.1548","0.1519","","","","1.316","1.333","1.333","","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114523","13.0466","0.0002","10.5141","0.0002","17.7492","0.0002","90","","90.271","0.001","90","","2434.69","0.07","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 B14 Ni P2 -","- C16 H28 B14 Ni P2 -","- C64 H112 B56 Ni4 P8 -","4","1","","Daewon Hong; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Characterizations, and Coordination Chemistry of the 10-Vertex Phosphadicarbaboranes 6-R-arachno-6,8,9-PC2B7H11 and 6-R-arachno-6,5,7-PC2B7H11","Journal of the American Chemical Society","2003","125","","16058","16073","10.1021/ja037799+","","","0.71069","MoKα","","0.0379","0.0361","","0.0909","0.0897","","","","1.09","1.097","1.097","","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114524","12.952","0.0003","18.3819","0.0004","11.2556","0.0003","92.702","0.002","114.316","0.001","81.214","0.002","2413.01","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H53 B7 P3 Pt -","- C53 H53 B7 P3 Pt -","- C106 H106 B14 P6 Pt2 -","2","1","","Daewon Hong; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Characterizations, and Coordination Chemistry of the 10-Vertex Phosphadicarbaboranes 6-R-arachno-6,8,9-PC2B7H11 and 6-R-arachno-6,5,7-PC2B7H11","Journal of the American Chemical Society","2003","125","","16058","16073","10.1021/ja037799+","","","0.71069","MoKα","","0.0527","0.0499","","0.1425","0.1372","","","","1.113","1.103","1.103","","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114525","15.5744","0.0003","18.336","0.0003","11.3806","0.0002","102.285","0.001","109.983","0.001","78.59","0.001","2956.54","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H67 B28 Br4 P4 Pt2 -","- C35 H67 B28 Br4 P4 Pt2 -","- C70 H134 B56 Br8 P8 Pt4 -","2","1","","Daewon Hong; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Characterizations, and Coordination Chemistry of the 10-Vertex Phosphadicarbaboranes 6-R-arachno-6,8,9-PC2B7H11 and 6-R-arachno-6,5,7-PC2B7H11","Journal of the American Chemical Society","2003","125","","16058","16073","10.1021/ja037799+","","","0.71069","MoKα","","0.0614","0.055","","0.1476","0.1407","","","","1.13","1.134","1.134","","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114526","11.028","0.0002","11.0406","0.0003","10.7862","0.0002","107.62","0.001","91.338","0.002","95.646","0.001","1243.64","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H16 B7 P -","- C8 H16 B7 P -","- C32 H64 B28 P4 -","4","2","","Daewon Hong; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Characterizations, and Coordination Chemistry of the 10-Vertex Phosphadicarbaboranes 6-R-arachno-6,8,9-PC2B7H11 and 6-R-arachno-6,5,7-PC2B7H11","Journal of the American Chemical Society","2003","125","","16058","16073","10.1021/ja037799+","","","0.71069","MoKα","","0.0553","0.0485","","0.1123","0.108","","","","1.102","1.122","1.122","","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114527","8.6297","0.0009","8.549","0.001","19.16","0.002","90","","92.1","0.005","90","","1412.6","0.3","143","1","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 B14 Br2 P2 Pd -","- C16 H32 B14 Br2 P2 Pd -","- C32 H64 B28 Br4 P4 Pd2 -","2","0.5","","Daewon Hong; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Characterizations, and Coordination Chemistry of the 10-Vertex Phosphadicarbaboranes 6-R-arachno-6,8,9-PC2B7H11 and 6-R-arachno-6,5,7-PC2B7H11","Journal of the American Chemical Society","2003","125","","16058","16073","10.1021/ja037799+","","","0.71069","MoKα","","0.0888","0.0845","","0.2309","0.2253","","","","1.231","1.235","1.235","","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4114528","19.711","0.004","15.137","0.003","20.493","0.004","90","","90.084","0.004","90","","6114","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H78 N3 O3 U -","- C63 H102 N3 O3 U -","- C252 H408 N12 O12 U4 -","4","1","","Ingrid Castro-Rodriguez; Hidetaka Nakai; Peter Gantzel; Lev N. Zakharov; Arnold L. Rheingold; Karsten Meyer","Evidence for Alkane Coordination to an Electron-Rich Uranium Center","Journal of the American Chemical Society","2003","125","","15734","15735","10.1021/ja0379316","","","0.71073","MoKα","","0.096","0.0611","","","0.1383","0.1471","","","","","","0.933","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114529","19.429","0.003","14.987","0.003","20.48","0.004","90","","90","0.003","90","","5963.4","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H98 N3 O3 U -","- C61 H98 N3 O3 U -","- C244 H392 N12 O12 U4 -","4","1","","Ingrid Castro-Rodriguez; Hidetaka Nakai; Peter Gantzel; Lev N. Zakharov; Arnold L. Rheingold; Karsten Meyer","Evidence for Alkane Coordination to an Electron-Rich Uranium Center","Journal of the American Chemical Society","2003","125","","15734","15735","10.1021/ja0379316","","","0.71073","MoKα","","0.0666","0.0511","","","0.1292","0.1375","","","","","","1.039","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114530","19.879","0.007","15.325","0.005","20.458","0.007","90","","92.102","0.01","90","","6228","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H106 N3 O3 U -","- C65 H106 N3 O3 U -","- C260 H424 N12 O12 U4 -","4","1","","Ingrid Castro-Rodriguez; Hidetaka Nakai; Peter Gantzel; Lev N. Zakharov; Arnold L. Rheingold; Karsten Meyer","Evidence for Alkane Coordination to an Electron-Rich Uranium Center","Journal of the American Chemical Society","2003","125","","15734","15735","10.1021/ja0379316","","","0.71073","MoKα","","0.0678","0.0482","","","0.1037","0.1078","","","","","","0.978","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114531","19.575","0.007","15.215","0.006","20.418","0.008","90","","90.666","0.006","90","","6081","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H102 N3 O3 U -","- C63 H102 N3 O3 U -","- C252 H408 N12 O12 U4 -","4","1","","Ingrid Castro-Rodriguez; Hidetaka Nakai; Peter Gantzel; Lev N. Zakharov; Arnold L. Rheingold; Karsten Meyer","Evidence for Alkane Coordination to an Electron-Rich Uranium Center","Journal of the American Chemical Society","2003","125","","15734","15735","10.1021/ja0379316","","","0.71073","MoKα","","0.1236","0.067","","","0.1512","0.1778","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114532","19.423","0.003","15.1148","0.0019","20.453","0.003","90","","90.117","0.002","90","","6004.5","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H102 N3 O3 U -","- C62 H102 N3 O3 U -","- C248 H408 N12 O12 U4 -","4","1","","Ingrid Castro-Rodriguez; Hidetaka Nakai; Peter Gantzel; Lev N. Zakharov; Arnold L. Rheingold; Karsten Meyer","Evidence for Alkane Coordination to an Electron-Rich Uranium Center","Journal of the American Chemical Society","2003","125","","15734","15735","10.1021/ja0379316","","","0.71073","MoKα","","0.0933","0.0551","","","0.1069","0.1193","","","","","","1.022","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114533","24.13","0.002","12.2104","0.0011","26.171","0.003","90","","111.584","0.002","90","","7170.2","1.2","193","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H54 Fe N2 -","- C35 H54 Fe N2 -","- C280 H432 Fe8 N16 -","8","1","","Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","NN Bond Cleavage by a Low-Coordinate Iron(II) Hydride Complex","Journal of the American Chemical Society","2003","125","","15752","15753","10.1021/ja038152s","","","0.71073","MoKα","","0.1386","0.1219","","","0.2192","0.2251","","","","","","1.426","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114534","12.4878","0.0007","18.2203","0.0011","19.649","0.0011","90","","107.997","0.001","90","","4252","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","holjs71","","","- C44 H67 Fe N3 -","- C44 H67 Fe N3 -","- C176 H268 Fe4 N12 -","4","1","","Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","NN Bond Cleavage by a Low-Coordinate Iron(II) Hydride Complex","Journal of the American Chemical Society","2003","125","","15752","15753","10.1021/ja038152s","","","0.71073","MoKα","","0.0696","0.0489","","","0.1221","0.1319","","","","","","1.027","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114535","9.9128","0.0007","12.612","0.0009","16.8887","0.0012","96.477","0.001","96.767","0.001","112.794","0.001","1903.8","0.2","193","2","293","2","","","","","","","","4","P -1","-P 1","2","holjs58","","","- C41 H64 Fe N2 -","- C41 H64 Fe N2 -","- C82 H128 Fe2 N4 -","2","1","","Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","NN Bond Cleavage by a Low-Coordinate Iron(II) Hydride Complex","Journal of the American Chemical Society","2003","125","","15752","15753","10.1021/ja038152s","","","0.71073","MoKα","","0.0811","0.0647","","","0.1755","0.1836","","","","","","1.07","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114536","9.6905","0.0006","23.7816","0.0013","44.5","0.003","90","","90","","90","","10255.3","1.1","193","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","holjs77","","","- C47 H64 Fe N4 -","- C47 H64 Fe N4 -","- C376 H512 Fe8 N32 -","8","1","","Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","NN Bond Cleavage by a Low-Coordinate Iron(II) Hydride Complex","Journal of the American Chemical Society","2003","125","","15752","15753","10.1021/ja038152s","","","0.71073","MoKα","","0.0838","0.0497","","","0.1451","0.1541","","","","","","1.075","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114537","17.434","0.0013","12.2322","0.0009","18.0994","0.0013","90","","90","","90","","3859.8","0.5","193","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","holjs95","","","- C41 H59 Fe N3 -","- C41 H59 Fe N3 -","- C164 H236 Fe4 N12 -","4","1","","Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","NN Bond Cleavage by a Low-Coordinate Iron(II) Hydride Complex","Journal of the American Chemical Society","2003","125","","15752","15753","10.1021/ja038152s","","","0.71073","MoKα","","0.051","0.04","","","0.0806","0.084","","","","","","1.045","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114538","9.381","0.0019","10.029","0.002","14.374","0.003","108.53","0.03","93.02","0.03","98.31","0.03","1261.7","0.5","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H37 Au N O2 P -","- C26 H37 Au N O2 P -","- C52 H74 Au2 N2 O4 P2 -","2","1","","Wei Lu; Nianyong Zhu; Chi-Ming Che","Polymorphic Forms of a Gold(I) Arylacetylide Complex with Contrasting Phosphorescent Characteristics","Journal of the American Chemical Society","2003","125","","16081","16088","10.1021/ja0382415","","","0.71073","MoKα","","0.0408","0.0294","","","0.0661","0.0925","","","","","","0.932","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114539","12.258","0.003","16.59","0.003","12.55","0.003","90","","96.68","0.03","90","","2534.8","1","301","2","301","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 Au N O2 P -","- C26 H37 Au N O2 P -","- C104 H148 Au4 N4 O8 P4 -","4","1","","Wei Lu; Nianyong Zhu; Chi-Ming Che","Polymorphic Forms of a Gold(I) Arylacetylide Complex with Contrasting Phosphorescent Characteristics","Journal of the American Chemical Society","2003","125","","16081","16088","10.1021/ja0382415","","","0.71069","MoKα","","0.0362","0.0269","","","0.0786","0.0919","","","","","","1.091","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114540","12.316","0.003","16.415","0.003","12.889","0.003","90","","98.54","0.03","90","","2576.8","1","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 Au F3 P -","- C27 H37 Au F3 P -","- C108 H148 Au4 F12 P4 -","4","1","","Wei Lu; Nianyong Zhu; Chi-Ming Che","Polymorphic Forms of a Gold(I) Arylacetylide Complex with Contrasting Phosphorescent Characteristics","Journal of the American Chemical Society","2003","125","","16081","16088","10.1021/ja0382415","","","0.71069","MoKα","","0.0399","0.0313","","","0.0928","0.1037","","","","","","1.113","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114541","11.573","0.002","8.533","0.002","14.077","0.003","90","","106.87","0.03","90","","1330.3","0.5","253","2","253","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H33 Au F5 P -","- C26 H33 Au F5 P -","- C52 H66 Au2 F10 P2 -","2","1","","Wei Lu; Nianyong Zhu; Chi-Ming Che","Polymorphic Forms of a Gold(I) Arylacetylide Complex with Contrasting Phosphorescent Characteristics","Journal of the American Chemical Society","2003","125","","16081","16088","10.1021/ja0382415","","","0.71069","MoKα","","0.0431","0.0384","","","0.1021","0.1044","","","","","","1.034","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114542","8.611","0.002","18.466","0.004","14.184","0.003","90","","91.28","0.03","90","","2254.8","0.9","253","2","253","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Au N O2 P -","- C26 H19 Au N O2 P -","- C104 H76 Au4 N4 O8 P4 -","4","1","","Wei Lu; Nianyong Zhu; Chi-Ming Che","Polymorphic Forms of a Gold(I) Arylacetylide Complex with Contrasting Phosphorescent Characteristics","Journal of the American Chemical Society","2003","125","","16081","16088","10.1021/ja0382415","","","0.71069","MoKα","","0.0452","0.0281","","","0.0774","0.0968","","","","","","0.993","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114543","16.861","0.007","18.234","0.007","22.424","0.009","88.76","0.007","82.064","0.008","78.03","0.007","6679","5","100.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C137 H165 Cl9 N10 O6 Zn2 -","- C138 H150 Cl9 N10 O5 Zn2 -","- C276 H300 Cl18 N20 O10 Zn4 -","2","1","","Akihiko Tsuda; Shigeru Sakamoto; Kentaro Yamaguchi; Takuzo Aida","A Novel Supramolecular Multicolor Thermometer by Self-Assembly of a π-Extended Zinc Porphyrin Complex","Journal of the American Chemical Society","2003","125","","15722","15723","10.1021/ja038349k","","","0.7107","MoKα","","","0.1259","","","","0.1559","","","","","","2.276","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114544","10.64","0.0007","27.0071","0.0018","14.7614","0.001","90","","98.643","0.002","90","","4193.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49.5 H18.5 F20 N4 O1.5 -","- C49.5 H15.5 F20 N4 O1.5 -","- C198 H62 F80 N16 O6 -","4","1","","Hiromitsu Maeda; Atsuhiro Osuka; Hiroyuki Furuta","Trans Doubly N-Confused Porphyrins: Cu(III) Complexation and Formation of Rodlike Hydrogen-Bonding Networks","Journal of the American Chemical Society","2003","125","","15690","15691","10.1021/ja038519t","","","0.71073","MoKα","","0.1373","0.0985","","","0.2998","0.3362","","","","","","1.271","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114545","12.9802","0.001","22.8224","0.0017","17.0361","0.0013","90","","91.195","0.002","90","","5045.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H28 Cl3 Cu F20 N4 O -","- C54 H28 Cl3 Cu F20 N4 O -","- C216 H112 Cl12 Cu4 F80 N16 O4 -","4","1","","Hiromitsu Maeda; Atsuhiro Osuka; Hiroyuki Furuta","Trans Doubly N-Confused Porphyrins: Cu(III) Complexation and Formation of Rodlike Hydrogen-Bonding Networks","Journal of the American Chemical Society","2003","125","","15690","15691","10.1021/ja038519t","","","0.71073","MoKα","","0.1256","0.0792","","","0.2228","0.2433","","","","","","0.968","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114546","24.726","0.005","11.706","0.002","26.129","0.005","90","","106.53","0.03","90","","7250","3","120","2","120","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C56 H100 B2 Cl6 F8 Ir2 N2 O4 P4 -","- C56 H100 B2 Cl6 F8 Ir2 N2 O4 P4 -","- C224 H400 B8 Cl24 F32 Ir8 N8 O16 P16 -","4","1","","Arkadi Vigalok; Boris Rybtchinski; Yael Gozin; Tehila S. Koblenz; Yehoshoa Ben-David; Haim Rozenberg; David Milstein","Metal-Stabilized Phenoxonium Cation","Journal of the American Chemical Society","2003","125","","15692","15693","10.1021/ja0385639","","","0.71073","MoKα","","0.0577","0.0357","","","0.0613","0.0656","","","","","","1.031","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114547","22.2394","0.0011","22.9564","0.0009","24.6976","0.0013","90","","92.002","0.006","90","","12601.3","1","200","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C113 H113 Cr F18 N25 Nd O22 S6 -","- C113 H111 Cr F18 N25 Nd O22 S6 -","- C452 H444 Cr4 F72 N100 Nd4 O88 S24 -","4","1","","Daniel Imbert; Martine Cantuel; Jean-Claude G. Bünzli; Gérald Bernardinelli; Claude Piguet","Extending Lifetimes of Lanthanide-Based Near-Infrared Emitters (Nd, Yb) in the Millisecond Range through Cr(III) Sensitization in Discrete Bimetallic Edifices","Journal of the American Chemical Society","2003","125","","15698","15699","10.1021/ja0386501","","","0.71073","MoKα","","","0.047","","","","0.046","","","","","","1.172","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114548","22.2714","0.001","22.8851","0.0012","24.3983","0.0011","90","","92.156","0.005","90","","12426.6","1","200","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C113 H111 Cr F18 N25 O21 S6 Yb -","- C113 H111 Cr F18 N25 O21 S6 Yb -","- C452 H444 Cr4 F72 N100 O84 S24 Yb4 -","4","1","","Daniel Imbert; Martine Cantuel; Jean-Claude G. Bünzli; Gérald Bernardinelli; Claude Piguet","Extending Lifetimes of Lanthanide-Based Near-Infrared Emitters (Nd, Yb) in the Millisecond Range through Cr(III) Sensitization in Discrete Bimetallic Edifices","Journal of the American Chemical Society","2003","125","","15698","15699","10.1021/ja0386501","","","0.71073","MoKα","","","0.038","","","","0.037","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114549","11.515","0.001","12.746","0.001","13.022","0.001","79.635","0.001","76.811","0.001","89.147","0.001","1829.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H7 Cl4 N O2 S4 -","- C14 H7 Cl4 N O2 S4 -","- C56 H28 Cl16 N4 O8 S16 -","4","2","","Clifton Kwang-Fu Shen; Hieu M. Duong; Gursel Sonmez; Fred Wudl","Novel Reversible Ionic-to-Covalent Transition in a Highly Conducting TTF Derivative","Journal of the American Chemical Society","2003","125","","16206","16207","10.1021/ja037621n","","","0.71073","MoKα","","0.0268","0.0225","","","0.0567","0.0586","","","","","","1.032","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114550","15.0005","0.0001","15.0005","0.0001","21.8165","0.0002","90","","90","","120","","4251.35","0.06","160","1","160","1","","","","","","","","4","P 32 2 1","P 32 2""","154","","(3S,4R)-1-(3-aza-4-carboxy-4-methyl-2-oxopentyl)-3-benzyl-3- tert-butoxicarbonylamino-4-isobutylazetidin-2-one","","- C25 H37 N3 O6 -","- C25 H37 N3 O6 -","- C150 H222 N18 O36 -","6","1","","Claudio Palomo; Jesus M. Aizpurua; Ana Benito; José Ignacio Miranda; Raluca M. Fratila; Carlos Matute; Maria Domercq; Federico Gago; Sonsoles Martin-Santamaria; Anthony Linden","Development of a New Family of Conformationally Restricted Peptides as Potent Nucleators of β-Turns. Design, Synthesis, Structure, and Biological Evaluation of a β-Lactam Peptide Analogue of Melanostatin","Journal of the American Chemical Society","2003","125","","16243","16260","10.1021/ja038180a","","","0.71073","MoKα","","0.0512","0.0368","","","0.0865","0.0939","","","","","","1.049","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4114551","14.356","0.002","16.93","0.002","12.862","0.002","90","","90","","90","","3126.1","0.7","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3R,4R)-1-[bis(trimethylsilyl)methyl]-3-isobutyl-3-[(4S)-4-phenyl-2- oxo-1,3-oxazolidin-3-yl]-azetidin-2-one","","- C30 H44 N2 O3 Si2 -","- C30 H44 N2 O3 Si2 -","- C120 H176 N8 O12 Si8 -","4","1","","Claudio Palomo; Jesus M. Aizpurua; Ana Benito; José Ignacio Miranda; Raluca M. Fratila; Carlos Matute; Maria Domercq; Federico Gago; Sonsoles Martin-Santamaria; Anthony Linden","Development of a New Family of Conformationally Restricted Peptides as Potent Nucleators of β-Turns. Design, Synthesis, Structure, and Biological Evaluation of a β-Lactam Peptide Analogue of Melanostatin","Journal of the American Chemical Society","2003","125","","16243","16260","10.1021/ja038180a","","","0.71073","MoKα","","0.0536","0.0373","","0.0345","0.0331","0.0331","","","1.731","","","1.662","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114552","9.939","0.002","9.16","0.002","12.154","0.002","90","","103.05","0.01","90","","1077.9","0.4","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R)-1-amidomethyl-3-isobutyl-3-[(2S)-1-(tert-butoxycarbonyl)- pyrrolidin-2-yl-carbonylamino]azetidin-2-one","","- C19 H32 N4 O5 -","- C19 H32 N4 O5 -","- C38 H64 N8 O10 -","2","1","","Claudio Palomo; Jesus M. Aizpurua; Ana Benito; José Ignacio Miranda; Raluca M. Fratila; Carlos Matute; Maria Domercq; Federico Gago; Sonsoles Martin-Santamaria; Anthony Linden","Development of a New Family of Conformationally Restricted Peptides as Potent Nucleators of β-Turns. Design, Synthesis, Structure, and Biological Evaluation of a β-Lactam Peptide Analogue of Melanostatin","Journal of the American Chemical Society","2003","125","","16243","16260","10.1021/ja038180a","","","0.71073","MoKα","","0.067","0.044","","0.0416","0.0392","0.0392","","","1.538","","","1.614","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114553","7.6036","0.0005","9.6014","0.0006","11.8554","0.0006","113.88","0.01","95.08","0.01","95.04","0.01","781","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N2 Ni O6 -","- C16 H16 N2 Ni O6 -","- C32 H32 N4 Ni2 O12 -","2","1","","Ming-Liang Tong; Xiao-Ming Chen; Stuart R. Batten","A New Self-Penetrating Uniform Net, (8,4) (or 86), Containing Planar Four-Coordinate Nodes","Journal of the American Chemical Society","2003","125","","16170","16171","10.1021/ja0383266","","","0.71073","MoKα","","0.0465","0.0444","","","0.1221","0.1237","","","","","","1.04","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114554","16.784","0.005","5.4457","0.0018","17.862","0.006","90","","105.987","0.005","90","","1569.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 Ni O6 -","- C16 H16 N2 Ni O6 -","- C64 H64 N8 Ni4 O24 -","4","1","","Ming-Liang Tong; Xiao-Ming Chen; Stuart R. Batten","A New Self-Penetrating Uniform Net, (8,4) (or 86), Containing Planar Four-Coordinate Nodes","Journal of the American Chemical Society","2003","125","","16170","16171","10.1021/ja0383266","","","0.71073","MoKα","","0.0474","0.0419","","","0.104","0.109","","","","","","1.084","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114555","8.6927","0.0005","12.2929","0.0007","12.4232","0.0007","97.835","0.001","93.948","0.001","102.181","0.001","1278.97","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H43 B3 O2 Ru2 -","- C24 H43 B3 O2 Ru2 -","- C48 H86 B6 O4 Ru4 -","2","1","","Hong Yan; Alicia M. Beatty; Thomas P. Fehlner","Ruthenacarboranes from the Reaction of nido-1,2-(Cp*RuH)2B3H7with HC\τbCCO2Me, Cp* = η5-C5Me5. Hydrometalation, Alkyne Incorporation, and Functional Group Modification via Cooperative Metal-Boron Interactions within a Metallaborane Cluster Framework","Journal of the American Chemical Society","2003","125","","16367","16382","10.1021/ja038444t","","","0.71073","MoKα","","0.0234","0.0215","","","0.0542","0.0553","","","","","","1.034","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4114556","10.9258","0.0007","16.0455","0.0011","16.0955","0.0011","89.775","0.001","88.893","0.001","74.149","0.001","2713.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H41 B3 O4 Ru2 -","- C24 H41 B3 O4 Ru2 -","- C96 H164 B12 O16 Ru8 -","4","2","","Hong Yan; Alicia M. Beatty; Thomas P. Fehlner","Ruthenacarboranes from the Reaction of nido-1,2-(Cp*RuH)2B3H7with HC\τbCCO2Me, Cp* = η5-C5Me5. Hydrometalation, Alkyne Incorporation, and Functional Group Modification via Cooperative Metal-Boron Interactions within a Metallaborane Cluster Framework","Journal of the American Chemical Society","2003","125","","16367","16382","10.1021/ja038444t","","","0.71073","MoKα","","0.0644","0.0427","","","0.0949","0.1035","","","","","","1.029","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4114557","8.576","0.0004","10.5548","0.0005","18.5784","0.0009","73.699","0.001","83.985","0.001","66.936","0.001","1485.03","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H47 B3 O4 Ru2 -","- C28 H47 B3 O4 Ru2 -","- C56 H94 B6 O8 Ru4 -","2","1","","Hong Yan; Alicia M. Beatty; Thomas P. Fehlner","Ruthenacarboranes from the Reaction of nido-1,2-(Cp*RuH)2B3H7with HC\τbCCO2Me, Cp* = η5-C5Me5. Hydrometalation, Alkyne Incorporation, and Functional Group Modification via Cooperative Metal-Boron Interactions within a Metallaborane Cluster Framework","Journal of the American Chemical Society","2003","125","","16367","16382","10.1021/ja038444t","","","0.71073","MoKα","","0.0518","0.0441","","","0.0959","0.0999","","","","","","1.068","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114558","8.799","0.0004","13.0672","0.0006","15.6891","0.0007","101.362","0.001","100.442","0.001","101.297","0.001","1688.34","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H51 B3 O6 Ru2 -","- C32 H51 B3 O6 Ru2 -","- C64 H102 B6 O12 Ru4 -","2","1","","Hong Yan; Alicia M. Beatty; Thomas P. Fehlner","Ruthenacarboranes from the Reaction of nido-1,2-(Cp*RuH)2B3H7with HC\τbCCO2Me, Cp* = η5-C5Me5. Hydrometalation, Alkyne Incorporation, and Functional Group Modification via Cooperative Metal-Boron Interactions within a Metallaborane Cluster Framework","Journal of the American Chemical Society","2003","125","","16367","16382","10.1021/ja038444t","","","0.71073","MoKα","","0.025","0.0231","","","0.0591","0.0602","","","","","","1.064","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114559","8.3722","0.0004","19.8606","0.0008","15.1043","0.0006","90","","95.638","0.001","90","","2499.35","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 B2 O Ru2 -","- C24 H42 B2 O Ru2 -","- C96 H168 B8 O4 Ru8 -","4","1","","Hong Yan; Alicia M. Beatty; Thomas P. Fehlner","Ruthenacarboranes from the Reaction of nido-1,2-(Cp*RuH)2B3H7with HC\τbCCO2Me, Cp* = η5-C5Me5. Hydrometalation, Alkyne Incorporation, and Functional Group Modification via Cooperative Metal-Boron Interactions within a Metallaborane Cluster Framework","Journal of the American Chemical Society","2003","125","","16367","16382","10.1021/ja038444t","","","0.71073","MoKα","","0.0278","0.0269","","","0.0644","0.0649","","","","","","1.162","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114560","16.688","0.003","16.688","0.003","16.208","0.004","90","","90","","120","","3909","1.4","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C54 H70 Ag2 N8 O6 -","- C54 H52 Ag2 N8 O6 -","- C162 H156 Ag6 N24 O18 -","3","1","","Yong Cui; Chuan He","Efficient Aziridination of Olefins Catalyzed by a Unique Disilver(I) Compound","Journal of the American Chemical Society","2003","125","","16202","16203","10.1021/ja038668b","","","0.71073","MoKα","","0.0908","0.0854","","","0.2274","0.2331","","","","","","1.05","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114561","16.194","0.003","14.666","0.003","30.836","0.005","90","","104.752","0.003","90","","7082","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C67 H93 Ag2 F6 N6 O10 S2 -","- C67 H91 Ag2 F6 N6 O10 S2 -","- C268 H364 Ag8 F24 N24 O40 S8 -","4","1","","Yong Cui; Chuan He","Efficient Aziridination of Olefins Catalyzed by a Unique Disilver(I) Compound","Journal of the American Chemical Society","2003","125","","16202","16203","10.1021/ja038668b","","","0.71073","MoKα","","0.0771","0.0744","","","0.157","0.1583","","","","","","1.271","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114562","9.499","0.003","12.856","0.004","14.846","0.004","72.274","0.004","76.17","0.005","68.932","0.004","1594.3","0.8","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H94 K2 O16 Si2 -","- C60 H94 K2 O16 Si2 -","- C60 H94 K2 O16 Si2 -","1","0.5","","Yuxia Liu; Thomas C. Stringfellow; David Ballweg; Ilia A. Guzei; Robert West","Structure and Chemistry of 1-Silafluorenyl Dianion, Its Derivatives, and an Organosilicon Diradical Dianion","Journal of the American Chemical Society","2002","124","","49","57","10.1021/ja011821m","","","0.71073","MoKα","","0.104","0.0703","","","0.1722","0.1946","","","","","","1.071","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114563","7.4375","0.0006","12.154","0.001","12.7246","0.0011","90","","90","","90","","1150.24","0.17","133","2","133","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H8 Cl2 Si -","- C12 H8 Cl2 Si -","- C48 H32 Cl8 Si4 -","4","0.5","","Yuxia Liu; Thomas C. Stringfellow; David Ballweg; Ilia A. Guzei; Robert West","Structure and Chemistry of 1-Silafluorenyl Dianion, Its Derivatives, and an Organosilicon Diradical Dianion","Journal of the American Chemical Society","2002","124","","49","57","10.1021/ja011821m","","","0.71073","MoKα","","0.0374","0.0292","","","0.0749","0.0777","","","","","","1.054","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114564","10.713","0.001","13.4592","0.0014","13.6979","0.0013","94.279","0.002","94.337","0.002","99.094","0.002","1937.1","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H42 Si5 -","- C42 H42 Si5 -","- C84 H84 Si10 -","2","1","","Yuxia Liu; Thomas C. Stringfellow; David Ballweg; Ilia A. Guzei; Robert West","Structure and Chemistry of 1-Silafluorenyl Dianion, Its Derivatives, and an Organosilicon Diradical Dianion","Journal of the American Chemical Society","2002","124","","49","57","10.1021/ja011821m","","","0.71073","MoKα","","0.0666","0.0451","","","0.1219","0.1342","","","","","","1","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114565","10.5459","0.0009","15.9281","0.0012","17.8197","0.0015","95.02","0.002","98.726","0.002","96.053","0.002","2925.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H57.33 K2 O10 Si -","- C32 H48 K2 O10 Si -","- C96 H144 K6 O30 Si3 -","3","1.5","","Yuxia Liu; Thomas C. Stringfellow; David Ballweg; Ilia A. Guzei; Robert West","Structure and Chemistry of 1-Silafluorenyl Dianion, Its Derivatives, and an Organosilicon Diradical Dianion","Journal of the American Chemical Society","2002","124","","49","57","10.1021/ja011821m","","","0.71073","MoKα","","0.1203","0.063","","","0.169","0.1963","","","","","","1.026","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114566","14.4065","0.0013","23.313","0.002","12.3328","0.0011","90","","112.597","0.002","90","","3824.1","0.6","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 K2 O4 Si2 -","- C39.944 H47.896 K2 O4 Si2 -","- C159.776 H191.584 K8 O16 Si8 -","4","1","","Yuxia Liu; Thomas C. Stringfellow; David Ballweg; Ilia A. Guzei; Robert West","Structure and Chemistry of 1-Silafluorenyl Dianion, Its Derivatives, and an Organosilicon Diradical Dianion","Journal of the American Chemical Society","2002","124","","49","57","10.1021/ja011821m","","","0.71073","MoKα","","0.1136","0.0577","","","0.1314","0.1557","","","","","","0.941","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114567","9.4399","0.0013","7.1505","0.001","16.647","0.002","90","","91.365","0.003","90","","1123.4","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Si2 -","- C28 H24 Si2 -","- C56 H48 Si4 -","2","0.5","","Yuxia Liu; Thomas C. Stringfellow; David Ballweg; Ilia A. Guzei; Robert West","Structure and Chemistry of 1-Silafluorenyl Dianion, Its Derivatives, and an Organosilicon Diradical Dianion","Journal of the American Chemical Society","2002","124","","49","57","10.1021/ja011821m","","","0.71073","MoKα","","0.0805","0.0544","","","0.1444","0.1531","","","","","","1.014","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114568","12.9326","0.0003","14.321","0.0003","15.1443","0.0004","105.883","0.0013","99.3086","0.0013","106.945","0.0012","2490.13","0.11","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C56 H54 B Cu F4 N3 O2.5 P2 -","- C56 H49 B Cu F5 N3 O3 P2 -","- C112 H98 B2 Cu2 F10 N6 O6 P4 -","2","1","","Douglas G. Cuttell; Shan-Ming Kuang; Phillip E. Fanwick; David R. McMillin; Richard A. Walton","Simple Cu(I) Complexes with Unprecedented Excited-State Lifetimes","Journal of the American Chemical Society","2002","124","","6","7","10.1021/ja012247h","","","0.71073","MO-Kα","","","0.061","","","","0.154","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114569","10.7133","0.0002","14.7971","0.0002","28.8529","0.0005","90","","98.159","0.0007","90","","4527.63","0.13","150","","150","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C51 H42 B Cl2 Cu F4 N2 O P2 -","- C51 H42 B Cl2 Cu F4 N2 O P2 -","- C204 H168 B4 Cl8 Cu4 F16 N8 O4 P8 -","4","1","","Douglas G. Cuttell; Shan-Ming Kuang; Phillip E. Fanwick; David R. McMillin; Richard A. Walton","Simple Cu(I) Complexes with Unprecedented Excited-State Lifetimes","Journal of the American Chemical Society","2002","124","","6","7","10.1021/ja012247h","","","0.71073","MO-Kα","","","0.062","","","","0.161","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114570","11.6779","0.0002","14.0495","0.0002","17.6505","0.0003","77.3452","0.0006","71.4646","0.0007","66.7766","0.0006","2508.57","0.07","149","","149","","","","","","","","","8","P -1","-P 1","2","","","","- C58 H55 B Cu F4 N3 O P2 -","- C58 H55 B Cu F4 N3 O P2 -","- C116 H110 B2 Cu2 F8 N6 O2 P4 -","2","1","","Douglas G. Cuttell; Shan-Ming Kuang; Phillip E. Fanwick; David R. McMillin; Richard A. Walton","Simple Cu(I) Complexes with Unprecedented Excited-State Lifetimes","Journal of the American Chemical Society","2002","124","","6","7","10.1021/ja012247h","","","0.71073","MO-Kα","","","0.049","","","","0.125","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114571","6.9808","0.001","11.2342","0.0016","20.146","0.003","90","","90.057","0.003","90","","1579.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O6 S -","- C15 H17 N O6 S -","- C60 H68 N4 O24 S4 -","4","1","","Yoshihiko Yamamoto; Hideyuki Takagishi; Kenji Itoh","Ruthenium-Catalyzed Cycloaddition of 1,6-Diynes with Isothiocyanates and Carbon Disulfide: First Transition-Metal Catalyzed [2 + 2 + 2] Cocyclotrimerization Involving CS Double Bond","Journal of the American Chemical Society","2002","124","","28","29","10.1021/ja016510q","","","0.71073","MoKα","","0.0592","0.0541","","","0.146","0.1556","","","","","","0.637","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114572","11.5683","0.0014","13.4244","0.0017","14.2656","0.0018","67.015","0.002","72.957","0.002","84.403","0.002","1949.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 N3 O30 V12 -","- C18 H21 N3 O30 V12 -","- C36 H42 N6 O60 V24 -","2","1","","Anima Bose; Pingang He; Charles Liu; Brett D. Ellman; Robert J. Twieg; Songping D. Huang","Strong Electron-Acceptor Methylviologen Dications Confined in a 2D Inorganic Host: Synthesis, Structural Characterization, Charge Transport and Electrochemical Properties of (MV)0.25V2O5","Journal of the American Chemical Society","2002","124","","4","5","10.1021/ja016865+","","","0.71073","MoKα","","0.2334","0.0877","","","0.1802","0.2446","","","","","","1.012","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114573","12.781","0.005","10.073","0.004","17.227","0.006","90","","90","","90","","2217.9","1.5","30","2","30","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Fe(phen)2(NCS)2","","","- C13 H8 Fe0.5 N3 S -","- C13 H8 Fe0.5 N3 S -","- C104 H64 Fe4 N24 S8 -","8","1","","Mathieu Marchivie; Philippe Guionneau; Judith A. K. Howard; Guillaume Chastanet; Jean-François Létard; Andres E. Goeta; Daniel Chasseau","Structural Characterization of a Photoinduced Molecular Switch","Journal of the American Chemical Society","2002","124","","194","195","10.1021/ja016980k","","","0.71073","MoKα","","0.0723","0.0464","","","0.1002","0.1111","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114574","13.121","0.003","9.954","0.003","17.163","0.004","90","","90","","90","","2241.6","1","30","2","30","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Fe(phen)2(NCS)2","","","- C13 H8 Fe0.5 N3 S -","- C13 H8 Fe0.5 N3 S -","- C104 H64 Fe4 N24 S8 -","8","1","","Mathieu Marchivie; Philippe Guionneau; Judith A. K. Howard; Guillaume Chastanet; Jean-François Létard; Andres E. Goeta; Daniel Chasseau","Structural Characterization of a Photoinduced Molecular Switch","Journal of the American Chemical Society","2002","124","","194","195","10.1021/ja016980k","","","0.71073","MoKα","","0.0843","0.0602","","","0.1335","0.1461","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114575","8.703","0.002","7.154","0.002","9.315","0.002","90","","97.63","0.02","90","","574.8","0.2","293.2","","293.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 O12 Zn2 -","- C4 H12 O12 Zn -","- C8 H24 O24 Zn2 -","2","0.5","","Andrew S. Lipton; Mark D. Smith; Richard D. Adams; Paul D. Ellis","67Zn Solid-State and Single-Crystal NMR Spectroscopy and X-ray Crystal Structure of Zinc Formate Dihydrate","Journal of the American Chemical Society","2002","124","","410","414","10.1021/ja011701e","","","0.7107","MoKα","","0.027","0.027","","0.0572","","0.0572","","","1.264","","","1.264","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114576","21.607","0.003","21.607","0.003","21.607","0.003","90","","90","","90","","10087","2","295","2","295","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C40 H70 Br2 Cu2 N8 O20 -","- C22 Br2 Cu2 N2 O14.6667 -","- C132 Br12 Cu12 N12 O88 -","6","0.0625","","Mohamed Eddaoudi; Jaheon Kim; Michael O'Keeffe; Omar M. Yaghi","Cu2[o-Br-C6H3(CO2)2]2(H2O)2.(DMF)8(H2O)2: A Framework Deliberately Designed To Have the NbO Structure Type","Journal of the American Chemical Society","2002","124","","376","377","10.1021/ja017154e","","","0.71073","MoKα","","0.1693","0.0788","","","0.2215","0.284","","","","","","0.95","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114577","9.3696","0.001","16.114","0.002","19.9855","0.0009","90","","92.9201","0.0009","90","","3013.5","0.5","180.2","","180.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H84 N4 P4 Si8 Zr2 -","- C48 H84 N4 P4 Si8 Zr2 -","- C96 H168 N8 P8 Si16 Zr4 -","2","0.5","","Michael D. Fryzuk; Christopher M. Kozak; Parisa Mehrkhodavandi; Lara Morello; Brian O. Patrick; Steven J. Rettig","Phosphorus Phenyl-Group Activation by Reduced Zirconium and Niobium Complexes Stabilized by the [P2N2] Macrocycle","Journal of the American Chemical Society","2002","124","","516","517","10.1021/ja012100q","","","0.7107","MoKα","","0.0801","0.05","","0.085","","0.043","","","2.685","","","2.69","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114578","10.186","0.0006","11.2073","0.0006","13.2219","0.0007","86.865","0.002","88.448","0.003","86.208","0.004","1503.4","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H84 N4 Nb2 P4 Si8 -","- C48 H78 N4 Nb2 P4 Si8 -","- C48 H78 N4 Nb2 P4 Si8 -","1","0.5","","Michael D. Fryzuk; Christopher M. Kozak; Parisa Mehrkhodavandi; Lara Morello; Brian O. Patrick; Steven J. Rettig","Phosphorus Phenyl-Group Activation by Reduced Zirconium and Niobium Complexes Stabilized by the [P2N2] Macrocycle","Journal of the American Chemical Society","2002","124","","516","517","10.1021/ja012100q","","","0.71069","MoKα","","0.0434","0.0347","","","0.0862","0.0932","","","","","","1.054","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114579","23.112","0.003","35.397","0.002","12.425","0.002","90","","90","","90","","10165","2","293.2","","293.2","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21 H34 Co N10 O3.5 -","- C21 H33 Co N10 O3.5 -","- C336 H528 Co16 N160 O56 -","16","1","","Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Toshio Nakashima; Masaaki Kojima","Spontaneous Resolution Induced by Self-Organization of Chiral Self-Complementary Cobalt(III) Complexes with Achiral Tripod-Type Ligands Containing Three Imidazole Groups","Journal of the American Chemical Society","2002","124","","629","640","10.1021/ja0123960","","","0.7107","MoKα","","0.0476","0.048","","0.039","","0.039","","","2.54","","","2.54","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114580","36.389","0.002","13.313","0.002","12.704","0.002","90","","104.98","0.01","90","","5945.3","1.4","293.2","","293.2","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H26 Cl3 Co N10 O13 -","- C18 H24 Cl3 Co N10 O13 -","- C144 H192 Cl24 Co8 N80 O104 -","8","2","","Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Toshio Nakashima; Masaaki Kojima","Spontaneous Resolution Induced by Self-Organization of Chiral Self-Complementary Cobalt(III) Complexes with Achiral Tripod-Type Ligands Containing Three Imidazole Groups","Journal of the American Chemical Society","2002","124","","629","640","10.1021/ja0123960","","","0.7107","MoKα","","0.0402","0.04","","0.045","","0.045","","","1.592","","","1.59","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114581","24.33","0.007","12.887","0.005","18.157","0.004","90","","91.86","0.02","90","","5690","3","296.2","","296.2","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H30.5 Cl1.5 Co N10 O10 -","- C18 H22.5 Cl1.5 Co N10 O9.75 -","- C144 H180 Cl12 Co8 N80 O78 -","8","2","","Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Toshio Nakashima; Masaaki Kojima","Spontaneous Resolution Induced by Self-Organization of Chiral Self-Complementary Cobalt(III) Complexes with Achiral Tripod-Type Ligands Containing Three Imidazole Groups","Journal of the American Chemical Society","2002","124","","629","640","10.1021/ja0123960","","","0.7107","MoKα","","0.0595","0.06","","0.062","","0.062","","","1.316","","","1.32","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114582","20.4455","0.0009","20.4455","","20.4455","","90","","90","","90","","8546.6","0.4","293.2","","293.2","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C18 H26 Co N10 O2.5 -","- C18 H21 Co0.333 N9.333 O2.499 -","- C288 H336 Co5.328 N149.328 O39.984 -","16","0.333333","","Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Toshio Nakashima; Masaaki Kojima","Spontaneous Resolution Induced by Self-Organization of Chiral Self-Complementary Cobalt(III) Complexes with Achiral Tripod-Type Ligands Containing Three Imidazole Groups","Journal of the American Chemical Society","2002","124","","629","640","10.1021/ja0123960","","","0.7107","MoKα","","0.0652","0.065","","0.037","","0.037","","","2.615","","","2.62","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114583","12.277","0.002","12.2772","","9.321","0.002","90","","90","","120","","1216.7","0.3","296.2","","296.2","","","","","","","","","6","P 3","P 3","143","","","","- C18 H30.5 Cl1.5 Co N10 O4 -","- C18 H22.5 Cl1.5 Co0.333 N9.333 O3.666 -","- C36 H45 Cl3 Co0.666 N18.666 O7.332 -","2","0.666667","","Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Toshio Nakashima; Masaaki Kojima","Spontaneous Resolution Induced by Self-Organization of Chiral Self-Complementary Cobalt(III) Complexes with Achiral Tripod-Type Ligands Containing Three Imidazole Groups","Journal of the American Chemical Society","2002","124","","629","640","10.1021/ja0123960","","","0.7107","MoKα","","0.0549","0.055","","0.065","","0.065","","","1.141","","","1.14","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114584","13.195","0.004","13.873","0.005","33.93","0.004","90","","96.39","0.02","90","","6172","3","293.2","","293.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 Cl3 Co N10 O12.5 -","- C21 H30 Cl3 Co N10 O12.49 -","- C168 H240 Cl24 Co8 N80 O99.92 -","8","2","","Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Toshio Nakashima; Masaaki Kojima","Spontaneous Resolution Induced by Self-Organization of Chiral Self-Complementary Cobalt(III) Complexes with Achiral Tripod-Type Ligands Containing Three Imidazole Groups","Journal of the American Chemical Society","2002","124","","629","640","10.1021/ja0123960","","","0.7107","MoKα","","0.0576","0.058","","0.036","","0.036","","","2.293","","","2.29","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114585","15.285","0.001","15.2855","","39.656","0.002","90","","90","","120","","8023.9","0.7","293.2","","293.2","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C21 H28.5 Cl1.5 Co N10 O6 -","- C21 H28.5 Cl1.5 Co0.333 N9.333 O6 -","- C252 H342 Cl18 Co3.996 N111.996 O72 -","12","0.666667","","Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Toshio Nakashima; Masaaki Kojima","Spontaneous Resolution Induced by Self-Organization of Chiral Self-Complementary Cobalt(III) Complexes with Achiral Tripod-Type Ligands Containing Three Imidazole Groups","Journal of the American Chemical Society","2002","124","","629","640","10.1021/ja0123960","","","0.7107","MoKα","","0.0411","0.041","","0.032","","0.032","","","1.951","","","1.95","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114586","31.5792","0.0015","15.1007","0.0005","14.4272","0.0007","90","","110.971","0.001","90","","6424.2","0.5","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H47 F6 N2 P Ru2 -","- C28 H47 F6 N2 P Ru2 -","- C224 H376 F48 N16 P8 Ru16 -","8","1","","Hideo Kondo; Kouki Matsubara; Hideo Nagashima","Novel Coordinatively Unsaturated Bimetallic Complexes, [(η5-C5Me5)Ru(μ2-iPrNC(Me)NiPr)Ru(η5-C5Me5)]+: A Bridging Amidinate Ligand Perpendicular to the Metal-Metal Axis Effectively Stabilizes the Highly Reactive Cationic Diruthenium Species","Journal of the American Chemical Society","2002","124","","534","535","10.1021/ja016899h","","","0.71069","MoKα","","0.0579","0.04","","","0.0949","0.1039","","","","","","1.036","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114587","14.177","0.0005","15.2535","0.0004","23.5483","0.0008","90","","92.711","0.001","90","","5086.6","0.3","183.2","","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H47 B F20 N2 Ru2 -","- C52 H47 B F20 N2 Ru2 -","- C208 H188 B4 F80 N8 Ru8 -","4","1","","Hideo Kondo; Kouki Matsubara; Hideo Nagashima","Novel Coordinatively Unsaturated Bimetallic Complexes, [(η5-C5Me5)Ru(μ2-iPrNC(Me)NiPr)Ru(η5-C5Me5)]+: A Bridging Amidinate Ligand Perpendicular to the Metal-Metal Axis Effectively Stabilizes the Highly Reactive Cationic Diruthenium Species","Journal of the American Chemical Society","2002","124","","534","535","10.1021/ja016899h","","","0.71069","MoKα","","0.0481","0.0377","","","0.107","0.1221","","","","","","1.173","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114588","10.6176","0.0002","15.9728","0.0003","19.0453","0.0004","90","","101.981","0.0008","90","","3159.59","0.11","223.2","","223.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H47 F3 N2 O3 Ru2 S -","- C29 H47 F3 N2 O3 Ru2 S -","- C116 H188 F12 N8 O12 Ru8 S4 -","4","1","","Hideo Kondo; Kouki Matsubara; Hideo Nagashima","Novel Coordinatively Unsaturated Bimetallic Complexes, [(η5-C5Me5)Ru(μ2-iPrNC(Me)NiPr)Ru(η5-C5Me5)]+: A Bridging Amidinate Ligand Perpendicular to the Metal-Metal Axis Effectively Stabilizes the Highly Reactive Cationic Diruthenium Species","Journal of the American Chemical Society","2002","124","","534","535","10.1021/ja016899h","","","0.71069","MoKα","","0.0445","0.0335","","","0.0886","0.0991","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114589","14.1154","0.0003","15.3888","0.0003","23.4856","0.0007","90","","93.466","0.0009","90","","5092.2","0.2","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H49 B F20 N2 Ru2 -","- C52 H49 B F20 N2 Ru2 -","- C208 H196 B4 F80 N8 Ru8 -","4","1","","Hideo Kondo; Kouki Matsubara; Hideo Nagashima","Novel Coordinatively Unsaturated Bimetallic Complexes, [(η5-C5Me5)Ru(μ2-iPrNC(Me)NiPr)Ru(η5-C5Me5)]+: A Bridging Amidinate Ligand Perpendicular to the Metal-Metal Axis Effectively Stabilizes the Highly Reactive Cationic Diruthenium Species","Journal of the American Chemical Society","2002","124","","534","535","10.1021/ja016899h","","","0.71069","MoKα","","0.0481","0.0417","","","0.1248","0.1316","","","","","","1.217","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114590","15.675","0.003","8.651","0.002","7.163","0.0014","90","","99.38","0.03","90","","958.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","","Mayra B. Reyes; Emil B. Lobkovsky; Barry K. Carpenter","Interplay of Orbital Symmetry and Nonstatistical Dynamics in the Thermal Rearrangements of Bicyclo[n.1.0]polyenes","Journal of the American Chemical Society","2002","124","","641","651","10.1021/ja017083j","","","0.71073","MoKα","","0.0588","0.0505","","0.1357","0.1279","","","","1.032","1.08","1.08","","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114591","6.3516","0.0006","10.3942","0.001","10.7314","0.001","94.207","0.0017","96.93","0.0013","102.423","0.0016","683.23","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C30 H36 N4 O4 -","2","1","","Mayra B. Reyes; Emil B. Lobkovsky; Barry K. Carpenter","Interplay of Orbital Symmetry and Nonstatistical Dynamics in the Thermal Rearrangements of Bicyclo[n.1.0]polyenes","Journal of the American Chemical Society","2002","124","","641","651","10.1021/ja017083j","","","0.71073","MoKα","","0.0697","0.0528","","0.1449","0.1322","","","","0.617","","","0.617","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114592","5.7518","0.0005","9.4285","0.0008","15.8745","0.0014","101.72","0.002","98.15","0.002","107.282","0.002","785.85","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 As F6 O4 S12 -","- C20 H20 As F6 O4 S12 -","- C20 H20 As F6 O4 S12 -","1","0.5","","Hiroyuki Nishikawa; Takanobu Morimoto; Takeshi Kodama; Isao Ikemoto; Koichi Kikuchi; Jun-ichi Yamada; Harukazu Yoshino; Keizo Murata","New Organic Superconductors Consisting of an Unprecedented π-Electron Donor","Journal of the American Chemical Society","2002","124","","730","731","10.1021/ja011114t","","","0.71073","MoKα","","0.0642","0.045","","","0.0987","0.1086","","","","","","0.812","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114593","5.7808","0.001","9.2199","0.0016","15.784","0.003","101.222","0.003","98.469","0.003","107.271","0.003","768.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 F6 O4 P S12 -","- C20 H20 F6 O4 P S12 -","- C20 H20 F6 O4 P S12 -","1","0.5","","Hiroyuki Nishikawa; Takanobu Morimoto; Takeshi Kodama; Isao Ikemoto; Koichi Kikuchi; Jun-ichi Yamada; Harukazu Yoshino; Keizo Murata","New Organic Superconductors Consisting of an Unprecedented π-Electron Donor","Journal of the American Chemical Society","2002","124","","730","731","10.1021/ja011114t","","","0.71073","MoKα","","0.0425","0.0379","","","0.112","0.1239","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114594","30.622","0.007","30.622","0.007","25.748","0.008","90","","90","","90","","24144","11","153","2","153","2","","","","","","","","7","I 4","I 4","79","5'-tert-butyldimethylsilyl-2',3'-isopropylidene guanosine-Cs/Na picrate G-quartet","","","- C357 H546 Cs0.92 N106.5 Na3.08 O108 Si16 -","- C89.255 H133.14 Cs0.2325 N26.63 Na0.7675 O27 Si4 -","- C714.04 H1065.12 Cs1.86 N213.04 Na6.14 O216 Si32 -","8","1","","Alan Wong; James C. Fettinger; Scott L. Forman; Jeffery T. Davis; Gang Wu","The Sodium Ions Inside a Lipophilic G-Quadruplex Channel as Probed by Solid-State 23Na NMR","Journal of the American Chemical Society","2002","124","","742","743","10.1021/ja0120330","","","0.71073","MoKα","","0.0819","0.062","","","0.1666","0.185","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114595","12.1916","0.0009","15.2167","0.0011","24.6036","0.0017","90","","100.1","0.002","90","","4493.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H78 Ir2 N6 P2 -","- C40 H78 Ir2 N6 P2 -","- C160 H312 Ir8 N24 P8 -","4","1","","Yaofeng Yuan; M. Victoria Jiménez; Eduardo Sola; Fernando J. Lahoz; Luis A. Oro","Sequential C-H Activation and Dinuclear Insertion of Ethylene Promoted by a Diiridium Complex","Journal of the American Chemical Society","2002","124","","752","753","10.1021/ja016753i","","","0.71073","MoKα","","0.095","0.0497","","","0.0724","0.0892","","","","","","0.813","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114596","13.8023","0.0012","13.8562","0.0012","13.9187","0.0011","80.516","0.002","71.532","0.002","63.524","0.001","2259.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H78 Ir2 N6 P2 -","- C40 H78 Ir2 N6 P2 -","- C80 H156 Ir4 N12 P4 -","2","1","","Yaofeng Yuan; M. Victoria Jiménez; Eduardo Sola; Fernando J. Lahoz; Luis A. Oro","Sequential C-H Activation and Dinuclear Insertion of Ethylene Promoted by a Diiridium Complex","Journal of the American Chemical Society","2002","124","","752","753","10.1021/ja016753i","","","0.71073","MoKα","","0.1014","0.0546","","","0.0751","0.0868","","","","","","0.703","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114597","12.3141","0.0009","12.4948","0.0008","18.1104","0.0012","98.255","0.001","97.966","0.001","115.247","0.001","2431.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H90 Ir2 N6 P2 -","- C45 H64 Ir2 N6 P2 -","- C90 H128 Ir4 N12 P4 -","2","1","","Yaofeng Yuan; M. Victoria Jiménez; Eduardo Sola; Fernando J. Lahoz; Luis A. Oro","Sequential C-H Activation and Dinuclear Insertion of Ethylene Promoted by a Diiridium Complex","Journal of the American Chemical Society","2002","124","","752","753","10.1021/ja016753i","","","0.71073","MoKα","","0.0967","0.0598","","","0.1176","0.1282","","","","","","0.937","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114598","7.7279","0.0017","10.967","0.002","11.194","0.002","73.729","0.004","85.332","0.004","69.856","0.004","854.9","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H9 Fe2 N O6 S2 -","- C14 H8 Fe2 N O6 S2 -","- C28 H16 Fe4 N2 O12 S4 -","2","1","","Hongxiang Li; Thomas B. Rauchfuss","Iron Carbonyl Sulfides, Formaldehyde, and Amines Condense To Give the Proposed Azadithiolate Cofactor of the Fe-Only Hydrogenases","Journal of the American Chemical Society","2002","124","","726","727","10.1021/ja016964n","","","0.71073","MoKα","","0.0264","0.0239","","","0.0665","0.068","","","","","","1.071","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114599","11.9966","0.0006","14.2977","0.0006","18.1645","0.0008","90","","90","","90","","3115.6","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H45 Fe2 N5 O4 S2 -","- C24 H41 Fe2 N5 O4 S2 -","- C96 H164 Fe8 N20 O16 S8 -","4","1","","Hongxiang Li; Thomas B. Rauchfuss","Iron Carbonyl Sulfides, Formaldehyde, and Amines Condense To Give the Proposed Azadithiolate Cofactor of the Fe-Only Hydrogenases","Journal of the American Chemical Society","2002","124","","726","727","10.1021/ja016964n","","","0.71073","MoKα","","0.0434","0.0296","","","0.0622","0.0641","","","","","","1.136","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114600","15.1649","0.0013","16.8922","0.0016","14.3956","0.001","114.609","0.001","109.742","0.005","71.321","0.002","3085.4","0.5","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C53 H76 N5 Na3 O20 P2 -","- C53 H76 N5 Na3 O20 P2 -","- C106 H152 N10 Na6 O40 P4 -","2","1","","Akira Onoda; Yusuke Yamada; Taka-aki Okamura; Mototsugu Doi; Hitoshi Yamamoto; Norikazu Ueyama","Synthesis of Zigzag-Chain and Cyclic-Octanuclear Calcium Complexes and Hexanuclear Bulky Aryl-Phosphate Sodium Complexes with Ortho-Amide Groups: Structural Transformation Involving a Network of Inter- and Intramolecular Hydrogen Bonds","Journal of the American Chemical Society","2002","124","","1052","1059","10.1021/ja011457r","","","0.71069","MoKα","","0.1144","0.0715","","","0.1956","0.2111","","","","","","1.242","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114601","11.91","0.003","14.612","0.003","8.142","0.001","100.79","0.02","108.64","0.01","78.99","0.02","1305.7","0.5","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N3 O6 P -","- C26 H32 N3 O6 P -","- C52 H64 N6 O12 P2 -","2","1","","Akira Onoda; Yusuke Yamada; Taka-aki Okamura; Mototsugu Doi; Hitoshi Yamamoto; Norikazu Ueyama","Synthesis of Zigzag-Chain and Cyclic-Octanuclear Calcium Complexes and Hexanuclear Bulky Aryl-Phosphate Sodium Complexes with Ortho-Amide Groups: Structural Transformation Involving a Network of Inter- and Intramolecular Hydrogen Bonds","Journal of the American Chemical Society","2002","124","","1052","1059","10.1021/ja011457r","","","0.7107","MoKα","","","0.0615","","","","0.0666","","","","","","1.834","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114602","18.678","0.006","31.752","0.011","9.38","0.006","90","","90","","90","","5563","4","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H36 N3 O6 P -","- C28 H36 N3 O6 P -","- C224 H288 N24 O48 P8 -","8","1","","Akira Onoda; Yusuke Yamada; Taka-aki Okamura; Mototsugu Doi; Hitoshi Yamamoto; Norikazu Ueyama","Synthesis of Zigzag-Chain and Cyclic-Octanuclear Calcium Complexes and Hexanuclear Bulky Aryl-Phosphate Sodium Complexes with Ortho-Amide Groups: Structural Transformation Involving a Network of Inter- and Intramolecular Hydrogen Bonds","Journal of the American Chemical Society","2002","124","","1052","1059","10.1021/ja011457r","","","0.71069","MoKα","","0.3211","0.0533","","","0.1633","0.2483","","","","","","0.929","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114603","16.96","0.005","8.257","0.007","18.754","0.007","90","","101.95","0.03","90","","2569","3","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 Ca N2 O11 P -","- C22 H20 Ca N2 O11 P -","- C88 H80 Ca4 N8 O44 P4 -","4","1","","Akira Onoda; Yusuke Yamada; Taka-aki Okamura; Mototsugu Doi; Hitoshi Yamamoto; Norikazu Ueyama","Synthesis of Zigzag-Chain and Cyclic-Octanuclear Calcium Complexes and Hexanuclear Bulky Aryl-Phosphate Sodium Complexes with Ortho-Amide Groups: Structural Transformation Involving a Network of Inter- and Intramolecular Hydrogen Bonds","Journal of the American Chemical Society","2002","124","","1052","1059","10.1021/ja011457r","","","0.71069","MoKα","","0.1702","0.0519","","","0.136","0.1808","","","","","","0.975","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114604","29.8134","0.0005","29.8134","0.0005","16.9925","0.0003","90","","90","","90","","15103.6","0.4","296","","296","","","","","","","","","6","P 4/n :2","-P 4a","85","","[Ca8(O3POC6H3(NHCOPh)2)8(H2O)12(dmf)8]-8(DMF)-11(H2O)","","- C208 H278 Ca8 N32 O87 P8 -","- C201.412 H224.628 Ca8 N29.804 O84.804 P8 -","- C402.824 H449.256 Ca16 N59.608 O169.608 P16 -","2","0.25","","Akira Onoda; Yusuke Yamada; Taka-aki Okamura; Mototsugu Doi; Hitoshi Yamamoto; Norikazu Ueyama","Synthesis of Zigzag-Chain and Cyclic-Octanuclear Calcium Complexes and Hexanuclear Bulky Aryl-Phosphate Sodium Complexes with Ortho-Amide Groups: Structural Transformation Involving a Network of Inter- and Intramolecular Hydrogen Bonds","Journal of the American Chemical Society","2002","124","","1052","1059","10.1021/ja011457r","","","0.71069","MoKα","","0.2491","0.1052","","","0.286","0.3395","","","","","","0.803","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114605","19.894","0.001","18.365","0.001","13.15","0.001","90","0.001","118.127","0.001","90","0.001","4237","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H22 N4 Pt -","- C23.5 H22 N4 Pt -","- C188 H176 N32 Pt8 -","8","1","","Carrie E. Buss; Kent R. Mann","Synthesis and Characterization of Pt(CN-p-(C2H5)C6H4)2(CN)2, a Crystalline Vapoluminescent Compound That Detects Vapor-Phase Aromatic Hydrocarbons","Journal of the American Chemical Society","2002","124","","1031","1039","10.1021/ja011986v","","","0.71073","MoKα","","0.0715","0.0328","","","0.0687","0.0792","","","","","","1.046","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4114606","20.0943","0.0009","18.2433","0.0008","13.1405","0.0005","90","","117.813","0.001","90","","4260.6","0.3","173","2","173","2","","","","","","","Prof. Mann / C. Buss","4","C 1 2/c 1","-C 2yc","15","97212e","","","- C20 H18 N4 Pt -","- C20 H18 N4 Pt -","- C160 H144 N32 Pt8 -","8","1","","Carrie E. Buss; Kent R. Mann","Synthesis and Characterization of Pt(CN-p-(C2H5)C6H4)2(CN)2, a Crystalline Vapoluminescent Compound That Detects Vapor-Phase Aromatic Hydrocarbons","Journal of the American Chemical Society","2002","124","","1031","1039","10.1021/ja011986v","","","0.71073","MoKα","","0.1055","0.042","","0.1023","0.0848","","","","0.932","1.211","1.211","","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4114607","25.06","0.005","15.001","0.002","21.9786","0.0019","90","","105.06","0.015","90","","7979","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","molybdenum borophosphate","","","- C12 H27 B Mo6 N8 O33 P4 -","- C12 B Mo6 N8 O33 P4 -","- C96 B8 Mo48 N64 O264 P32 -","8","1","","Eddy Dumas; Catherine Debiemme-Chouvy; Slavi C. Sevov","A Reduced Polyoxomolybdenum Borophosphate Anion Related to the Wells-Dawson Clusters","Journal of the American Chemical Society","2002","124","","908","909","10.1021/ja012352r","","","0.71073","MoKα","","0.0612","0.049","","","0.1339","0.1441","","","","","","1.04","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114608","17.272","0.004","23.772","0.005","25.077","0.005","87.54","0.02","84.13","0.02","76.96","0.02","9976","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","catena-[trans,cis,cis-RuCl2(CO)2(Zn.4'-cis-DpyP)]2 (mu-4,4'bipy) solvated cis-DpyP =(5,10-bis(4'pyridyl)-15-20-diphenylporphyrin)","","- C155.5 H102.5 Cl22.5 N21 O6 Ru3 Zn3 -","- C153.5 H88.5 Cl16.5 N21 O6 Ru3 Zn3 -","- C307 H177 Cl33 N42 O12 Ru6 Zn6 -","2","1","","Elisabetta Iengo; Ennio Zangrando; Romina Minatel; Enzo Alessio","Metallacycles of Porphyrins as Building Blocks in the Construction of Higher Order Assemblies through Axial Coordination of Bridging Ligands: Solution- and Solid-State Characterization of Molecular Sandwiches and Molecular Wires","Journal of the American Chemical Society","2002","124","","1003","1013","10.1021/ja016162s","","","1","synchrotron","","0.1183","0.0865","","","0.2465","0.2693","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114609","11.923","0.004","21.89","0.004","27.183","0.006","69.06","0.02","84.87","0.02","89","0.02","6599","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","bis([trans,cis,cis-RuCl2(CO)2(Zn.4'-cis-DpyP)]2) (mu-4'-trans-DpyP)2 solvated cis-DpyP =(5,10-bis(4'pyridyl)-15-20-diphenylporphyrin) trans-DpyP =(5,15-bis(4'pyridyl)-10-20-diphenylporphyrin)","","- C149.5 H125 Cl7 N18 O4 Ru2 Zn2 -","- C136 H94 Cl4 N18 O4 Ru2 Zn2 -","- C272 H188 Cl8 N36 O8 Ru4 Zn4 -","2","1","","Elisabetta Iengo; Ennio Zangrando; Romina Minatel; Enzo Alessio","Metallacycles of Porphyrins as Building Blocks in the Construction of Higher Order Assemblies through Axial Coordination of Bridging Ligands: Solution- and Solid-State Characterization of Molecular Sandwiches and Molecular Wires","Journal of the American Chemical Society","2002","124","","1003","1013","10.1021/ja016162s","","","1","synchrotron","","0.1395","0.0972","","","0.2555","0.2912","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114610","10.4675","0.0006","31.094","0.002","11.3851","0.0006","90","","111.721","0.001","90","","3442.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H54 Mo N3 P3 Si2 -","- C27 H54 Mo N3 P3 Si2 -","- C108 H216 Mo4 N12 P12 Si8 -","4","1","","Thomas M. Cameron; Carlos G. Ortiz; Ion Ghiviriga; Khalil A. Abboud; James M. Boncella","The Synthesis and Reactivity of a Molybdenum (IV) Stretched-Dihydrogen Complex","Journal of the American Chemical Society","2002","124","","922","923","10.1021/ja0169365","","","0.71073","MoKα","","0.0329","0.0256","","","0.0625","0.0638","","","","","","1.049","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114611","7.836","0.003","8.431","0.004","11.178","0.005","103.877","0.005","104.159","0.005","109.276","0.006","633.1","0.5","173.2","","","","","","","","","","","2","P -1","-P 1","2","","","","- C32 H36 -","- C32 H36 -","- C32 H36 -","1","0.5","","Drexel H. Camacho; Shinichi Saito; Yoshinori Yamamoto","Synthesis of (E)-1,2-Divinyl-1,2-diethynylethene (DVDEE) via the Palladium-Catalyzed Reaction of Conjugated Diynes. A New Building Block for Molecular Scaffolding","Journal of the American Chemical Society","2002","124","","924","925","10.1021/ja017626p","","","0.7107","MoKα","","","0.0448","","","","0.0463","","","","","","1.317","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114612","10.446","0.002","13.75","0.002","14.169","0.004","116.59","0.03","105.55","0.03","93.46","0.03","1714.4","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","H3TP±tpy","","","- C40.5 H27 B F4 N4 O -","- C40.5 H27 B F4 N4 O -","- C81 H54 B2 F8 N8 O2 -","2","1","","Philippe Lainé; Fethi Bedioui; Philippe Ochsenbein; Valérie Marvaud; Michel Bonin; Edmond Amouyal","A New Class of Functionalized Terpyridyl Ligands as Building Blocks for Photosensitized Supramolecular Architectures. Synthesis, Structural, and Electronic Characterizations","Journal of the American Chemical Society","2002","124","","1364","1377","10.1021/ja011069p","","","1.54178","CuKα","","0.096","0.0601","","0.2337","0.2005","","","","1.744","1.842","1.842","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114613","14.366","0.003","14.57","0.003","14.677","0.003","82.82","0.03","75.68","0.03","82.19","0.03","2935.6","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","P0A/Ru","","","- C54.6 H38 F18 N7.8 O0.5 P3 Ru -","- C54.6 H38 F18 N7.8 O0.5 P3 Ru -","- C109.2 H76 F36 N15.6 O P6 Ru2 -","2","1","","Philippe Lainé; Fethi Bedioui; Philippe Ochsenbein; Valérie Marvaud; Michel Bonin; Edmond Amouyal","A New Class of Functionalized Terpyridyl Ligands as Building Blocks for Photosensitized Supramolecular Architectures. Synthesis, Structural, and Electronic Characterizations","Journal of the American Chemical Society","2002","124","","1364","1377","10.1021/ja011069p","","","0.71073","MoKα","","0.0914","0.0617","","0.1503","0.1384","","","","1.165","1.322","1.322","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114614","16.355","0.003","16.69","0.003","60.729","0.012","90","","90","","90","","16577","5","95","1","95","1","","","","","","","","6","P c a b","-P 2bc 2ac","61","P1A2/Ru","","","- C88 H62 F24 N8 P4 Ru -","- C88 H62 F24 N8 P4 Ru -","- C704 H496 F192 N64 P32 Ru8 -","8","1","","Philippe Lainé; Fethi Bedioui; Philippe Ochsenbein; Valérie Marvaud; Michel Bonin; Edmond Amouyal","A New Class of Functionalized Terpyridyl Ligands as Building Blocks for Photosensitized Supramolecular Architectures. Synthesis, Structural, and Electronic Characterizations","Journal of the American Chemical Society","2002","124","","1364","1377","10.1021/ja011069p","","","0.71073","MoKα","","0.2085","0.1307","","0.3489","0.2765","","","","1.653","2.003","2.003","","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114615","14.138","0.0006","17.2261","0.0008","10.4985","0.0006","90","","90","","90","","2556.8","0.2","213","2","213","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H23 B11 Br6 -","- C12 H23 B11 Br6 -","- C48 H92 B44 Br24 -","4","0.5","","Daniel Stasko; Christopher A. Reed","Optimizing the Least Nucleophilic Anion. A New, Strong Methyl+ Reagent","Journal of the American Chemical Society","2002","124","","1148","1149","10.1021/ja0118800","","","0.71073","MoKα","","0.0704","0.0512","","","0.1214","0.1258","","","","","","1.058","","","","has coordinates,has disorder","178917","2020-10-21","18:00:00",""
"4114616","8.669","0.0007","12.993","0.0009","20.867","0.0007","89.037","0.004","79.917","0.004","81.937","0.003","2291.1","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","3-Chloro-1,2,3-tris(tri-tert-butylsilyl)cyclotrigermene","","- C36 H81 Cl Ge3 Si3 -","- C36 H81 Cl Ge3 Si3 -","- C72 H162 Cl2 Ge6 Si6 -","2","1","","Akira Sekiguchi; Yutaka Ishida; Norihisa Fukaya; Masaaki Ichinohe; Nozomi Takagi; Shigeru Nagase","The First Halogen-Substituted Cyclotrigermenes: A Unique Halogen Walk over the Three-Membered Ring Skeleton and Facial Stereoselectivity in the Diels-Alder Reaction","Journal of the American Chemical Society","2002","124","","1158","1159","10.1021/ja012216m","","","0.7107","MoKα","","0.0902","0.0692","","","0.1828","0.1992","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114617","13.486","0.001","13.66","0.0016","14.986","0.0019","74.53","0.005","82.005","0.006","60.497","0.005","2315.6","0.5","120","","120","","","","","","","","","5","P -1","-P 1","2","","3-Bromo-1,2,3-tris(tri-t-butylsilyl)cyclotrigermene","","- C36 H81 Br Ge3 Si3 -","- C36 H81 Br Ge3 Si3 -","- C72 H162 Br2 Ge6 Si6 -","2","1","","Akira Sekiguchi; Yutaka Ishida; Norihisa Fukaya; Masaaki Ichinohe; Nozomi Takagi; Shigeru Nagase","The First Halogen-Substituted Cyclotrigermenes: A Unique Halogen Walk over the Three-Membered Ring Skeleton and Facial Stereoselectivity in the Diels-Alder Reaction","Journal of the American Chemical Society","2002","124","","1158","1159","10.1021/ja012216m","","","0.7107","MoKα","","0.1139","0.0607","","","0.1168","0.1386","","","","","","1.02","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114618","13.468","0.001","13.628","0.001","15.066","0.0009","74.952","0.004","81.617","0.004","60.994","0.003","2334.8","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","3-Iode-1,2,3-tris(tri-tert-butylsilyl)cyclotrigermene","","- C36 H81 Ge3 I Si3 -","- C36 H81 Ge3 I Si3 -","- C72 H162 Ge6 I2 Si6 -","2","1","","Akira Sekiguchi; Yutaka Ishida; Norihisa Fukaya; Masaaki Ichinohe; Nozomi Takagi; Shigeru Nagase","The First Halogen-Substituted Cyclotrigermenes: A Unique Halogen Walk over the Three-Membered Ring Skeleton and Facial Stereoselectivity in the Diels-Alder Reaction","Journal of the American Chemical Society","2002","124","","1158","1159","10.1021/ja012216m","","","0.7107","MoKα","","0.0639","0.0419","","","0.0992","0.1087","","","","","","1.009","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114619","13.509","0.0004","31.036","0.001","13.269","0.0005","90","","116.324","0.002","90","","4986.3","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Z-7-Chloro-3,4-dimethyl-1,6,7-tris(tri-tert-butylsilyl)- 1,6,7-trigermabicyclo[4.1.0]hept-3-ene","","- C42 H91 Cl Ge3 Si3 -","- C42 H91 Cl Ge3 Si3 -","- C168 H364 Cl4 Ge12 Si12 -","4","1","","Akira Sekiguchi; Yutaka Ishida; Norihisa Fukaya; Masaaki Ichinohe; Nozomi Takagi; Shigeru Nagase","The First Halogen-Substituted Cyclotrigermenes: A Unique Halogen Walk over the Three-Membered Ring Skeleton and Facial Stereoselectivity in the Diels-Alder Reaction","Journal of the American Chemical Society","2002","124","","1158","1159","10.1021/ja012216m","","","0.7107","MoKα","","0.0571","0.0388","","","0.0876","0.0955","","","","","","1.029","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114620","13.511","0.0005","31.017","0.001","13.371","0.0005","90","","116.379","0.002","90","","5019.9","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Bromo-3,4-dimethyl-1,6,7-tris(tri-tert-butylsilyl)- 1,6,7-trigermabicyclo[4.1.0]hept-3-ene","","- C42 H91 Br Ge3 Si3 -","- C42 H91 Br Ge3 Si3 -","- C168 H364 Br4 Ge12 Si12 -","4","1","","Akira Sekiguchi; Yutaka Ishida; Norihisa Fukaya; Masaaki Ichinohe; Nozomi Takagi; Shigeru Nagase","The First Halogen-Substituted Cyclotrigermenes: A Unique Halogen Walk over the Three-Membered Ring Skeleton and Facial Stereoselectivity in the Diels-Alder Reaction","Journal of the American Chemical Society","2002","124","","1158","1159","10.1021/ja012216m","","","0.7107","MoKα","","0.0457","0.0376","","","0.097","0.1015","","","","","","1.046","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114621","13.531","0.0009","31.353","0.001","13.455","0.0009","90","","116.705","0.003","90","","5099.2","0.5","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Iodo-3,4-dimethyl-1,6,7-tris(tri-tert-butylsilyl)- 1,6,7-trigermabicyclo[4.1.0]hept-3-ene","","- C42 H91 Ge3 I Si3 -","- C42 H91 Ge3 I Si3 -","- C168 H364 Ge12 I4 Si12 -","4","1","","Akira Sekiguchi; Yutaka Ishida; Norihisa Fukaya; Masaaki Ichinohe; Nozomi Takagi; Shigeru Nagase","The First Halogen-Substituted Cyclotrigermenes: A Unique Halogen Walk over the Three-Membered Ring Skeleton and Facial Stereoselectivity in the Diels-Alder Reaction","Journal of the American Chemical Society","2002","124","","1158","1159","10.1021/ja012216m","","","0.7107","MoKα","","0.0973","0.0644","","","0.1561","0.1779","","","","","","1.023","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114622","30.589","0.005","11.6164","0.0019","30.605","0.005","90","","107.867","0.003","90","","10351","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","01060a","","","- C37 H78 K2 Mn N11 O8 -","- C37.007 H78 K2 Mn N11.0005 O8.0025 -","- C296.056 H624 K16 Mn8 N88.004 O64.02 -","8","2","","Rajeev Gupta; Cora E. MacBeth; Victor G. Young; A. S. Borovik","Isolation of Monomeric MnIII/II-OH and MnIII-O Complexes from Water: Evaluation of O-H Bond Dissociation Energies","Journal of the American Chemical Society","2002","124","","1136","1137","10.1021/ja016741x","","","0.71073","MoKα","","0.0891","0.0701","","","0.1629","0.1718","","","","","","1.063","","","","has coordinates,has disorder","178917","2020-10-21","18:00:00",""
"4114623","10.0439","0.0006","10.7647","0.0007","35.262","0.002","90","","90","","90","","3812.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O -","- C24 H25 N O -","- C192 H200 N8 O8 -","8","2","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.1214","0.0592","","","0.1123","0.1366","","","","","","1.03","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114624","10.0281","0.0004","11.4783","0.0005","16.8217","0.0007","90","","95.653","0.01","90","","1926.85","0.14","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","2","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0558","0.0414","","","0.0925","0.0983","","","","","","1.036","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114625","10.23","0.0003","9.0097","0.0003","12.3888","0.0003","90","","108.482","0.001","90","","1082.97","0.06","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C52 H58 N2 O6 -","2","1","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0445","0.0327","","","0.0714","0.0746","","","","","","1.003","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114626","17.988","0.002","7.0987","0.0008","17.823","0.002","90","","109.749","0.008","90","","2142","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H23 Cl2 N O -","- C24 H23 Cl2 N O -","- C96 H92 Cl8 N4 O4 -","4","1","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0573","0.0517","","","0.1257","0.1278","","","","","","1.031","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114627","9.4192","0.0001","10.1201","0.0001","11.8636","0.0003","90","","106.668","0.002","90","","1083.36","0.03","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C52 H58 N2 O6 -","2","1","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0452","0.0424","","","0.1127","0.1144","","","","","","1.086","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114628","5.2543","0.0004","10.236","0.0008","11.3852","0.0009","71.562","0.001","87.505","0.001","80.018","0.001","572.06","0.08","213","2","213","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H29 Hg N O3 -","- C26 H29 Hg N O3 -","- C26 H29 Hg N O3 -","1","1","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0316","0.0315","","","0.0751","0.0752","","","","","","1.053","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114629","9.4494","0.0009","9.702","0.001","13.061","0.001","90","","110.371","0.002","90","","1122.52","0.18","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H34 N O3 -","- C26 H34 N O3 -","- C52 H68 N2 O6 -","2","1","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0463","0.0426","","","0.1096","0.1137","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114630","10.555","0.002","10.119","0.002","26.478","0.004","90","","99.201","0.002","90","","2791.6","0.9","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 N O S -","- C22 H23 N O S -","- C132 H138 N6 O6 S6 -","6","3","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0991","0.0918","","","0.2415","0.2466","","","","","","1.073","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114631","10.0585","0.0005","10.4847","0.0005","34.977","0.002","90","","90","","90","","3688.7","0.3","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O S -","- C22 H23 N O S -","- C176 H184 N8 O8 S8 -","8","2","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0895","0.0544","","","0.0919","0.103","","","","","","1.059","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114632","10.0869","0.0006","10.8633","0.0006","35.817","0.002","90","","90","","90","","3924.7","0.4","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 F N O -","- C24 H24 F N O -","- C192 H192 F8 N8 O8 -","8","2","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0731","0.045","","","0.0937","0.1062","","","","","","1","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114633","8.4524","0.0007","8.0786","0.0007","13.8705","0.0012","90","","98.816","0.002","90","","935.94","0.14","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O3 -","- C21 H27 N O3 -","- C42 H54 N2 O6 -","2","1","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0412","0.0403","","","0.1094","0.1107","","","","","","1.021","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114634","8.3269","0.0004","8.4131","0.0004","29.128","0.002","90","","90","","90","","2040.6","0.2","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0658","0.0465","","","0.0931","0.102","","","","","","1.015","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114635","5.2688","0.0003","21.7645","0.0012","9.7497","0.0006","90","","93.748","0.001","90","","1115.63","0.11","213","2","213","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H24 Cl N O S -","- C26 H24 Cl N O S -","- C52 H48 Cl2 N2 O2 S2 -","2","1","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0369","0.0318","","","0.0796","0.0823","","","","","","1.034","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114636","10.3574","0.0006","10.6801","0.0006","19.388","0.001","90","","90","","90","","2144.7","0.2","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N O -","- C28 H26 N O -","- C112 H104 N4 O4 -","4","1","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0712","0.0483","","","0.1169","0.1296","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114637","8.4546","0.0007","22.244","0.002","32.612","0.002","90","","90","","90","","6133.1","0.8","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30.67 N O3 -","- C23 H30.6667 N O3 -","- C276 H368 N12 O36 -","12","3","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.1093","0.0735","","","0.1948","0.2281","","","","","","1","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114638","9.9023","0.0009","10.6217","0.0009","18.945","0.001","90","","90","","90","","1992.6","0.3","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O -","- C26 H23 N O -","- C104 H92 N4 O4 -","4","1","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0661","0.0413","","","0.0823","0.094","","","","","","1.055","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114639","17.8106","0.0017","11.6626","0.0012","15.5911","0.0015","90","","111.956","0.002","90","","3003.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H40 Br4 Li4 O4 -","- C16 H40 Br4 Li4 O4 -","- C64 H160 Br16 Li16 O16 -","4","0.5","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0912","0.0423","","","0.0983","0.1097","","","","","","1.031","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114640","7.698","0.003","15.236","0.006","17.271","0.007","90","","90","","90","","2025.7","1.4","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O -","- C25 H27 N O -","- C100 H108 N4 O4 -","4","1","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0645","0.0418","","","0.0899","0.101","","","","","","1.017","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114641","9.5252","0.0004","11.3143","0.0005","13.6606","0.0007","84.852","0.001","86.093","0.001","71.928","0.001","1392.68","0.11","213","2","213","2","","","","","","","","4","P 1","P 1","1","","","","- C33 H35 N O4 -","- C33 H35 N O4 -","- C66 H70 N2 O8 -","2","2","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0329","0.0319","","","0.0885","0.0897","","","","","","1.008","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114642","10.1078","0.001","11.1252","0.001","17.0275","0.0016","90","","101.302","0.002","90","","1877.6","0.3","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Br N O -","- C22 H20 Br N O -","- C88 H80 Br4 N4 O4 -","4","2","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0984","0.0458","","","0.0625","0.0692","","","","","","1.002","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114643","12.4805","0.001","18.1277","0.0014","18.8005","0.0015","90","","91.808","0.002","90","","4251.4","0.6","173","2","1713","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 Co2 F12 N10 O5 P2 -","- C39 H36 Co2 F12 N10 O5 P2 -","- C156 H144 Co8 F48 N40 O20 P8 -","4","1","","Anna L. Gavrilova; C. Jin Qin; Roger D. Sommer; Arnold L. Rheingold; B. Bosnich","Bimetallic Reactivity. One-Site Addition Two-Metal Oxidation Reaction of Dioxygen with a Bimetallic Dicobalt(II) Complex Bearing Five- and Six-Coordinate Sites","Journal of the American Chemical Society","2002","124","","1714","1722","10.1021/ja012386z","","","0.71073","MoKα","","0.1934","0.0764","","","0.1517","0.1973","","","","","","1.005","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114644","10.4971","0.0011","11.383","0.0013","19.466","0.002","91.013","0.002","101.484","0.002","110.07","0.002","2131.6","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H39 Co2 F6 N12 O7 P -","- C41 H39 Co2 F6 N12 O7 P -","- C82 H78 Co4 F12 N24 O14 P2 -","2","1","","Anna L. Gavrilova; C. Jin Qin; Roger D. Sommer; Arnold L. Rheingold; B. Bosnich","Bimetallic Reactivity. One-Site Addition Two-Metal Oxidation Reaction of Dioxygen with a Bimetallic Dicobalt(II) Complex Bearing Five- and Six-Coordinate Sites","Journal of the American Chemical Society","2002","124","","1714","1722","10.1021/ja012386z","","","0.71073","MoKα","","0.1113","0.0574","","","0.107","0.1279","","","","","","1.034","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114645","11.7787","0.0004","21.2005","0.0008","17.3676","0.0007","90","","94.669","0.002","90","","4322.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H65 Cl2 N2 P Ru -","- C46 H65 Cl2 N2 P Ru -","- C184 H260 Cl8 N8 P4 Ru4 -","4","1","","Robert G. Carlson; Melanie A. Gile; Joseph A. Heppert; Mark H. Mason; Douglas R. Powell; David Vander Velde; Joseph M. Vilain","The Metathesis-Facilitated Synthesis of Terminal Ruthenium Carbide Complexes: A Unique Carbon Atom Transfer Reaction","Journal of the American Chemical Society","2002","124","","1580","1581","10.1021/ja017088g","","","0.71073","MoKα","","0.0384","0.0327","","","0.085","0.0882","","","","","","1.052","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114646","33.671","0.004","14.449","0.002","18.512","0.001","90","","109.014","0.004","90","","8514.9","1.6","109.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H61 O14.5 Si8 -","- C24 H61 O14.5 Si8 -","- C192 H488 O116 Si64 -","8","1","","Masafumi Unno; Akiko Suto; Hideyuki Matsumoto","Pentacyclic Laddersiloxane","Journal of the American Chemical Society","2002","124","","1574","1575","10.1021/ja0173876","","","0.7107","MoKα","","","0.0691","","","","0.1801","","","","","","1.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114647","14.6572","0.0005","21.73","0.001","12.7694","0.0005","90.327","0.001","102.541","0.003","97.133","0.003","3937.1","0.3","288.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H104 O16 Si12 -","- C60 H104 O16 Si12 -","- C120 H208 O32 Si24 -","2","1","","Masafumi Unno; Akiko Suto; Hideyuki Matsumoto","Pentacyclic Laddersiloxane","Journal of the American Chemical Society","2002","124","","1574","1575","10.1021/ja0173876","","","0.7107","MoKα","","","0.0568","","","","0.1603","","","","","","1.778","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114648","7.7991","0.0003","7.3372","0.0003","19.2695","0.0008","90","","90","","90","","1102.67","0.08","193","2","193","2","","","","","","","original synthesis","4","P b c a","-P 2ac 2ab","61","","","","- I K Mo O6 -","- I K Mo O6 -","- I8 K8 Mo8 O48 -","8","1","","Richard E. Sykora; Kang Min Ok; P. Shiv Halasyamani; Thomas E. Albrecht-Schmitt","Structural Modulation of Molybdenyl Iodate Architectures by Alkali Metal Cations in AMoO3(IO3) (A = K, Rb, Cs): A Facile Route to New Polar Materials with Large SHG Responses","Journal of the American Chemical Society","2002","124","","1951","1957","10.1021/ja012190z","","","0.71073","MoKα","","0.0222","0.0216","","0.0525","0.0521","","","","1.166","1.168","1.168","","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114649","7.7277","0.0006","10.2137","0.0008","7.3442","0.0006","90","","90","","90","","579.67","0.08","193","2","193","2","","","","","","","original synthesis","4","P n a 21","P 2c -2n","33","","","","- I Mo O6 Rb -","- I Mo O6 Rb -","- I4 Mo4 O24 Rb4 -","4","1","","Richard E. Sykora; Kang Min Ok; P. Shiv Halasyamani; Thomas E. Albrecht-Schmitt","Structural Modulation of Molybdenyl Iodate Architectures by Alkali Metal Cations in AMoO3(IO3) (A = K, Rb, Cs): A Facile Route to New Polar Materials with Large SHG Responses","Journal of the American Chemical Society","2002","124","","1951","1957","10.1021/ja012190z","","","0.71073","MoKα","","0.0207","0.0194","","0.0421","0.0413","","","","0.946","0.947","0.947","","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114650","7.8633","0.0005","10.392","0.0006","7.3869","0.0005","90","","90","","90","","603.62","0.07","193","2","193","2","","","","","","","original synthesis","4","P n a 21","P 2c -2n","33","","","","- Cs I Mo O6 -","- Cs I Mo O6 -","- Cs4 I4 Mo4 O24 -","4","1","","Richard E. Sykora; Kang Min Ok; P. Shiv Halasyamani; Thomas E. Albrecht-Schmitt","Structural Modulation of Molybdenyl Iodate Architectures by Alkali Metal Cations in AMoO3(IO3) (A = K, Rb, Cs): A Facile Route to New Polar Materials with Large SHG Responses","Journal of the American Chemical Society","2002","124","","1951","1957","10.1021/ja012190z","","","0.71073","MoKα","","0.0214","0.0209","","0.0517","0.0515","","","","1.117","1.124","1.124","","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114651","8.5567","0.0007","9.7163","0.0008","13.419","0.0011","90","","101.622","0.001","90","","1092.78","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 F6 Mg O11 S2 -","- C12 H20 F6 Mg O11 S2 -","- C24 H40 F12 Mg2 O22 S4 -","2","0.5","","Elizabeth R. Sanchez; Mary C. Gessel; Thomas L. Groy; M. Tyler Caudle","Interaction of Biotin with Mg-O Bonds: Bifunctional Binding and Recognition of Biotin and Related Ligands by the Mg(15-crown-5)2+ Unit","Journal of the American Chemical Society","2002","124","","1933","1940","10.1021/ja016641r","","","0.71073","MoKα","","0.0691","0.0551","","","0.1603","0.1709","","","","","","1.071","","","","has coordinates,has disorder","178917","2020-10-21","18:00:00",""
"4114652","11.3401","0.0005","8.7376","0.0004","24.6423","0.0012","90","","90.944","0.001","90","","2441.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H20 N2 O5 -","- C31 H20 N2 O5 -","- C124 H80 N8 O20 -","4","1","","Radoslaw S. Laufer; Gary I. Dmitrienko","Diazo Group Electrophilicity in Kinamycins and Lomaiviticin A: Potential Insights into the Molecular Mechanism of Antibacterial and Antitumor Activity","Journal of the American Chemical Society","2002","124","","1854","1855","10.1021/ja0167809","","","0.71073","MoKα","","0.1048","0.047","","","0.0859","0.1009","","","","","","0.789","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114653","26.7074","0.0001","26.7074","0.0001","23.3649","0.0002","90","","90","","120","","14433","0.15","188","2","188","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C162 H378 N102 O159 Pt3 -","- C162 H180 N99 O150 Pt3 -","- C324 H360 N198 O300 Pt6 -","2","0.166667","","Ki-Min Park; Soo-Young Kim; Jungseok Heo; Dongmok Whang; Shigeru Sakamoto; Kentaro Yamaguchi; Kimoon Kim","Designed Self-Assembly of Molecular Necklaces","Journal of the American Chemical Society","2002","124","","2140","2147","10.1021/ja011654q","","","0.71073","MoKα","","0.1174","0.0957","","0.277","0.2523","","","","1.066","1.121","1.121","","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114654","15.756","0.0001","26.462","0.0002","43.2486","0.0005","90","","94.425","0.001","90","","17978.1","0.3","188","2","188","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C224 H462 N132 O171 Pt4 -","- C224 H270 N132 O174 Pt4 -","- C448 H540 N264 O348 Pt8 -","2","1","","Ki-Min Park; Soo-Young Kim; Jungseok Heo; Dongmok Whang; Shigeru Sakamoto; Kentaro Yamaguchi; Kimoon Kim","Designed Self-Assembly of Molecular Necklaces","Journal of the American Chemical Society","2002","124","","2140","2147","10.1021/ja011654q","","","0.71073","MoKα","","0.1159","0.0801","","","0.1733","0.2062","","","","","","1.162","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114655","15.692","0.006","22.449","0.009","46.706","0.018","77.657","0.017","83.39","0.03","88.67","0.05","15966","11","188","2","188","2","","","","","","","","5","P -1","-P 1","2","","","","- C201 H380 N126 O154 Pt3 -","- C201 H193 N122 O141.96 Pt3 -","- C402 H386 N244 O283.92 Pt6 -","2","1","","Ki-Min Park; Soo-Young Kim; Jungseok Heo; Dongmok Whang; Shigeru Sakamoto; Kentaro Yamaguchi; Kimoon Kim","Designed Self-Assembly of Molecular Necklaces","Journal of the American Chemical Society","2002","124","","2140","2147","10.1021/ja011654q","","","0.71073","MoKα","","0.3266","0.2252","","","0.4277","0.5035","","","","","","1.118","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114656","20.9026","0.0007","26.5756","0.0009","27.7713","0.001","90","","90","","90","","15426.9","0.9","193","2","193","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","Calix[4]arene 1,3-alt tetramethylamide-HCl","","","- C40 H50 Cl N4 O11 -","- C40 H50 Cl N4 O11 -","- C640 H800 Cl16 N64 O176 -","16","0.5","","Vladimir Sidorov; Frank W. Kotch; Galya Abdrakhmanova; Robert Mizani; James C. Fettinger; Jeffery T. Davis","Ion Channel Formation from a Calix[4]arene Amide That Binds HCl","Journal of the American Chemical Society","2002","124","","2267","2278","10.1021/ja012338e","","","0.71073","MoKα","","0.0851","0.0617","","","0.1785","0.1958","","","","","","1.06","","","","has coordinates,has disorder","178917","2020-10-21","18:00:00",""
"4114657","10.1237","0.0003","22.74","0.0007","17.7902","0.0006","90","","97.07","0.001","90","","4064.4","0.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Calix[4]arene 1,3-alt tetramethylamide-HCl","","","- C41 H48 Cl3 N4 O9 -","- C41 H48 Cl3 N4 O9 -","- C164 H192 Cl12 N16 O36 -","4","1","","Vladimir Sidorov; Frank W. Kotch; Galya Abdrakhmanova; Robert Mizani; James C. Fettinger; Jeffery T. Davis","Ion Channel Formation from a Calix[4]arene Amide That Binds HCl","Journal of the American Chemical Society","2002","124","","2267","2278","10.1021/ja012338e","","","0.71073","MoKα","","0.057","0.0431","","","0.1117","0.1196","","","","","","1.092","","","","has coordinates,has disorder","178917","2020-10-21","18:00:00",""
"4114658","15.4419","0.0006","15.4419","0.0006","6.3764","0.0002","90","","90","","90","","1520.47","0.1","90","2","90","2","","","","","","","","7","P 42/m n m","-P 4n 2n","136","[Au{C(NHCH3)2}2]PF6.0.5acetone","","","- C7.5 H19 Au F6 N4 O0.5 P -","- C7.5 H16 Au F6 N4 O0.5 P -","- C30 H64 Au4 F24 N16 O2 P4 -","4","0.25","","Rochelle L. White-Morris; Marilyn M. Olmstead; Feilong Jiang; Dino S. Tinti; Alan L. Balch","Remarkable Variations in the Luminescence of Frozen Solutions of [Au{C(NHMe)2}2](PF6).0.5(Acetone). Structural and Spectroscopic Studies of the Effects of Anions and Solvents on Gold(I) Carbene Complexes","Journal of the American Chemical Society","2002","124","","2327","2336","10.1021/ja012397s","","","0.71073","MoKα","","0.0241","0.0162","","","0.0371","0.0411","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114659","11.9132","0.0007","14.6089","0.0009","6.8923","0.0004","90","","94.588","0.001","90","","1195.68","0.12","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Au{C(NHMe)2}2].BF4","","","- C6 H16 Au B F4 N4 -","- C6 H16 Au B F4 N4 -","- C24 H64 Au4 B4 F16 N16 -","4","0.5","","Rochelle L. White-Morris; Marilyn M. Olmstead; Feilong Jiang; Dino S. Tinti; Alan L. Balch","Remarkable Variations in the Luminescence of Frozen Solutions of [Au{C(NHMe)2}2](PF6).0.5(Acetone). Structural and Spectroscopic Studies of the Effects of Anions and Solvents on Gold(I) Carbene Complexes","Journal of the American Chemical Society","2002","124","","2327","2336","10.1021/ja012397s","","","0.71073","MoKα","","0.0162","0.0153","","","0.0358","0.0361","","","","","","1.148","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114660","12.2551","0.0006","7.2162","0.0004","8.5987","0.0004","90","","98.428","0.001","90","","752.22","0.07","90","2","90","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","[Au{C(NMe2)(NHMe)}2](PF6)","","","- C8 H20 Au F6 N4 P -","- C8 H20 Au F6 N4 P -","- C16 H40 Au2 F12 N8 P2 -","2","0.25","","Rochelle L. White-Morris; Marilyn M. Olmstead; Feilong Jiang; Dino S. Tinti; Alan L. Balch","Remarkable Variations in the Luminescence of Frozen Solutions of [Au{C(NHMe)2}2](PF6).0.5(Acetone). Structural and Spectroscopic Studies of the Effects of Anions and Solvents on Gold(I) Carbene Complexes","Journal of the American Chemical Society","2002","124","","2327","2336","10.1021/ja012397s","","","0.71073","MoKα","","0.0143","0.0143","","","0.035","0.035","","","","","","1.07","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114661","10.6037","0.0002","11.9623","0.0003","15.2316","0.0001","96.627","0.001","107.77","0.001","94.86","0.001","1812.82","0.06","293","2","293","2","","","","","","","synthetic","5","P -1","-P 1","2","","","","- C59 H122 Mo2 N18 O4 -","- C59 H102 Mo2 N18 O4 -","- C59 H102 Mo2 N18 O4 -","1","0.5","","Laurance G. Beauvais; Jeffrey R. Long","Cyanide-Limited Complexation of Molybdenum(III): Synthesis of Octahedral [Mo(CN)6]3- and Cyano-Bridged [Mo2(CN)11]5-","Journal of the American Chemical Society","2002","124","","2110","2111","10.1021/ja0175901","","","0.71073","MoKα","","0.0768","0.0604","","0.184","0.1642","","","","1.034","1.085","1.085","","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114662","13.5285","0.0003","13.5285","0.0003","35.853","0.0002","90","","90","","120","","5682.71","0.18","293","2","293","2","","","","","","","synthetic","6","R -3 c :H","-R 3 2""c","167","lithium molybdenum hexacyanide","","","- C24 H42 Li3 Mo N12 O6 -","- C24 H42 Li3 Mo N12 O6 -","- C144 H252 Li18 Mo6 N72 O36 -","6","0.166667","","Laurance G. Beauvais; Jeffrey R. Long","Cyanide-Limited Complexation of Molybdenum(III): Synthesis of Octahedral [Mo(CN)6]3- and Cyano-Bridged [Mo2(CN)11]5-","Journal of the American Chemical Society","2002","124","","2110","2111","10.1021/ja0175901","","","0.71073","MoKα","","0.0522","0.0426","","0.1301","0.1231","","","","1.112","1.157","1.157","","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114663","7.4788","0.001","18.612","0.003","16.626","0.002","90","","98.998","0.003","90","","2285.8","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C112 H120 N8 O16 -","4","1","","Jerry L. Atwood; Leonard J. Barbour; Agoston Jerga","Supramolecular Stabilization of N2H7+","Journal of the American Chemical Society","2002","124","","2122","2123","10.1021/ja017722q","","","0.71073","MoKα","","0.0809","0.0476","","","0.1035","0.1154","","","","","","1.024","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114664","16.7396","0.0014","9.5039","0.0008","23.1323","0.0019","90","","105.072","0.002","90","","3553.6","0.5","173","2","173","2","","","","","","","Nermeen Abolella","4","P 1 21/n 1","-P 2yn","14","01357","","","- C37 H56 Cu N3 -","- C37 H56 Cu N3 -","- C148 H224 Cu4 N12 -","4","1","","Douglas J. E. Spencer; Nermeen W. Aboelella; Anne M. Reynolds; Patrick L. Holland; William B. Tolman","β-Diketiminate Ligand Backbone Structural Effects on Cu(I)/O2 Reactivity: Unique Copper-Superoxo and Bis(μ-oxo) Complexes","Journal of the American Chemical Society","2002","124","","2108","2109","10.1021/ja017820b","","","0.71073","MoKα","","0.0833","0.0482","","","0.0967","0.1079","","","","","","1.02","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4114665","31.3411","0.0013","18.1396","0.0007","22.9236","0.0009","90","","126.494","0.001","90","","10477","0.7","173","2","173","2","","","","","","","Patrick Holland","4","C 1 2/c 1","-C 2yc","15","00079","L(iPr)Cu(NCMe)","","- C31 H44 Cu N3 -","- C31 H44 Cu N3 -","- C372 H528 Cu12 N36 -","12","1.5","","Douglas J. E. Spencer; Nermeen W. Aboelella; Anne M. Reynolds; Patrick L. Holland; William B. Tolman","β-Diketiminate Ligand Backbone Structural Effects on Cu(I)/O2 Reactivity: Unique Copper-Superoxo and Bis(μ-oxo) Complexes","Journal of the American Chemical Society","2002","124","","2108","2109","10.1021/ja017820b","","","0.71073","MoKα","","0.0618","0.0373","","","0.0844","0.0915","","","","","","0.98","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114666","9.927","0.003","20.216","0.005","16.489","0.005","90","","96.031","0.004","90","","3290.8","1.6","173","2","173","2","","","","","","","Doug Spencer","4","C 1 c 1","C -2yc","9","01077","[Ph(H2LiPr)Cu(MeCN)]","","- C35 H44 Cu N3 -","- C35 H38 Cu N3 -","- C140 H152 Cu4 N12 -","4","1","","Douglas J. E. Spencer; Nermeen W. Aboelella; Anne M. Reynolds; Patrick L. Holland; William B. Tolman","β-Diketiminate Ligand Backbone Structural Effects on Cu(I)/O2 Reactivity: Unique Copper-Superoxo and Bis(μ-oxo) Complexes","Journal of the American Chemical Society","2002","124","","2108","2109","10.1021/ja017820b","","","0.71073","MoKα","","0.0407","0.0393","","","0.105","0.1062","","","","","","1.025","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4114667","15.031","0.002","10.218","0.001","24.906","0.003","90","","100.99","0.01","90","","3755.1","0.8","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H65 F3 N4 O3 P2 S Si -","- C29 H65 F3 N4 O3 P2 S Si -","- C116 H260 F12 N16 O12 P8 S4 Si4 -","4","1","","Tsuyoshi Kato; Heinz Gornitzka; Antoine Baceiredo; Wolfgang W. Schoeller; Guy Bertrand","Synthesis and Rearrangement of Diphosphorus Analogues of Amidinium Salts","Journal of the American Chemical Society","2002","124","","2506","2512","10.1021/ja010347h","","","0.71073","MoKα","","0.0645","0.0484","","","0.1222","0.1328","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114668","9.9435","0.0004","21.9177","0.0008","18.3228","0.0007","90","","90.278","0.001","90","","3993.2","0.3","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H61 Cl4 Ga N4 P2 Si2 -","- C26 H61 Cl4 Ga N4 P2 Si2 -","- C104 H244 Cl16 Ga4 N16 P8 Si8 -","4","1","","Tsuyoshi Kato; Heinz Gornitzka; Antoine Baceiredo; Wolfgang W. Schoeller; Guy Bertrand","Synthesis and Rearrangement of Diphosphorus Analogues of Amidinium Salts","Journal of the American Chemical Society","2002","124","","2506","2512","10.1021/ja010347h","","","0.71073","MoKα","","0.0604","0.0469","","","0.1103","0.1192","","","","","","1.109","","","","has coordinates,has disorder","178917","2020-10-21","18:00:00",""
"4114669","11.08","0.002","11.08","0.002","16.0239","0.0007","90","","90","","90","","1967.2","0.5","298","","","","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C20 H20 Cu F6 N4 O2 Si -","- C20 H16 Cu F6 N4 O2 Si -","- C80 H64 Cu4 F24 N16 O8 Si4 -","4","0.25","","Shin-ichiro Noro; Ryo Kitaura; Mitsuru Kondo; Susumu Kitagawa; Tomohiko Ishii; Hiroyuki Matsuzaka; Masahiro Yamashita","Framework Engineering by Anions and Porous Functionalities of Cu(II)/4,4'-bpy Coordination Polymers","Journal of the American Chemical Society","2002","124","","2568","2583","10.1021/ja0113192","","","0.7107","MoKα","","","0.0544","","","","0.072","","","","","","2.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114670","11.113","0.004","11.113","0.004","8.263","0.006","90","","90","","90","","1020.5","0.9","298","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C20 H32 Cu F6 Ge N4 O8 -","- C20 H16 Cu F6 Ge N4 O8 -","- C20 H16 Cu F6 Ge N4 O8 -","1","0.0625","","Shin-ichiro Noro; Ryo Kitaura; Mitsuru Kondo; Susumu Kitagawa; Tomohiko Ishii; Hiroyuki Matsuzaka; Masahiro Yamashita","Framework Engineering by Anions and Porous Functionalities of Cu(II)/4,4'-bpy Coordination Polymers","Journal of the American Chemical Society","2002","124","","2568","2583","10.1021/ja0113192","","","0.7107","MoKα","","","0.0758","","","","0.0757","","","","","","2.635","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114671","11.146","0.004","11.146","0.004","15.941","0.007","90","","90","","90","","1980.4","1.3","298","","","","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C20 H20 Cu F6 Ge N4 O2 -","- C20 H16 Cu F6 Ge N4 O2 -","- C80 H64 Cu4 F24 Ge4 N16 O8 -","4","0.25","","Shin-ichiro Noro; Ryo Kitaura; Mitsuru Kondo; Susumu Kitagawa; Tomohiko Ishii; Hiroyuki Matsuzaka; Masahiro Yamashita","Framework Engineering by Anions and Porous Functionalities of Cu(II)/4,4'-bpy Coordination Polymers","Journal of the American Chemical Society","2002","124","","2568","2583","10.1021/ja0113192","","","0.7107","MoKα","","","0.0773","","","","0.0953","","","","","","2.664","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114672","45.47","0.01","20.523","0.008","8.229","0.003","90","","90","","90","","7679","4","223","","","","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C29 H38 Cu F12 N5 O5 P2 -","- C29 H30 Cu F12 N5 O5 P2 -","- C232 H240 Cu8 F96 N40 O40 P16 -","8","","","Shin-ichiro Noro; Ryo Kitaura; Mitsuru Kondo; Susumu Kitagawa; Tomohiko Ishii; Hiroyuki Matsuzaka; Masahiro Yamashita","Framework Engineering by Anions and Porous Functionalities of Cu(II)/4,4'-bpy Coordination Polymers","Journal of the American Chemical Society","2002","124","","2568","2583","10.1021/ja0113192","","","0.7107","MoKα","","","0.1002","","","","0.1259","","","","","","3.373","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114673","44.87","0.01","20.292","0.005","8.17","0.002","90","","90","","90","","7439","3","223","","","","","","","","","","","8","A b a 2","A 2 -2ab","41","","","","- C29 H38 Cl Cu F6 N5 O9 P -","- C29 H30 Cl Cu F6 N5 O9 P -","- C232 H240 Cl8 Cu8 F48 N40 O72 P8 -","8","","","Shin-ichiro Noro; Ryo Kitaura; Mitsuru Kondo; Susumu Kitagawa; Tomohiko Ishii; Hiroyuki Matsuzaka; Masahiro Yamashita","Framework Engineering by Anions and Porous Functionalities of Cu(II)/4,4'-bpy Coordination Polymers","Journal of the American Chemical Society","2002","124","","2568","2583","10.1021/ja0113192","","","0.7107","MoKα","","","0.0971","","","","0.1226","","","","","","3.333","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114674","22.184","0.002","15.313","0.001","11.1085","0.0008","90","","93.704","0.003","90","","3765.7","0.5","298","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C40 H36 Cu2 F18 N9 O5 P3 -","- C40 H32 Cu2 F18 N9 O5 P3 -","- C80 H64 Cu4 F36 N18 O10 P6 -","2","0.25","","Shin-ichiro Noro; Ryo Kitaura; Mitsuru Kondo; Susumu Kitagawa; Tomohiko Ishii; Hiroyuki Matsuzaka; Masahiro Yamashita","Framework Engineering by Anions and Porous Functionalities of Cu(II)/4,4'-bpy Coordination Polymers","Journal of the American Chemical Society","2002","124","","2568","2583","10.1021/ja0113192","","","0.7107","MoKα","","","0.0642","","","","0.1267","","","","","","3.385","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114675","11.1611","0.0006","13.1786","0.0007","22.1972","0.0002","90","","92.569","0.003","90","","3261.7","0.2","223","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cu F12 N7 P2 -","- C26 H25 Cu F12 N7 P2 -","- C104 H100 Cu4 F48 N28 P8 -","4","1","","Shin-ichiro Noro; Ryo Kitaura; Mitsuru Kondo; Susumu Kitagawa; Tomohiko Ishii; Hiroyuki Matsuzaka; Masahiro Yamashita","Framework Engineering by Anions and Porous Functionalities of Cu(II)/4,4'-bpy Coordination Polymers","Journal of the American Chemical Society","2002","124","","2568","2583","10.1021/ja0113192","","","0.7107","MoKα","","","0.0689","","","","0.0742","","","","","","3.339","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114676","11.0449","0.0006","11.0449","0.0006","8.055","0.001","90","","90","","90","","982.63","0.14","173","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C20 H26 Cu F6 N4 O5 Si -","- C20 H16 Cu F6 N4 O5 Si -","- C20 H16 Cu F6 N4 O5 Si -","1","0.0625","","Shin-ichiro Noro; Ryo Kitaura; Mitsuru Kondo; Susumu Kitagawa; Tomohiko Ishii; Hiroyuki Matsuzaka; Masahiro Yamashita","Framework Engineering by Anions and Porous Functionalities of Cu(II)/4,4'-bpy Coordination Polymers","Journal of the American Chemical Society","2002","124","","2568","2583","10.1021/ja0113192","","","0.7107","MoKα","","","0.1287","","","","0.1357","","","","","","3.891","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114677","6.3902","0.0002","8.5992","0.0001","11.0202","0.0004","85.291","0.002","86.502","0.002","89.568","0.001","602.4","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H15 Cl2 Cr O -","- C10 H15 Cl2 Cr O -","- C20 H30 Cl4 Cr2 O2 -","2","1","","James S. Hess; Somying Leelasubcharoen; Arnold L. Rheingold; Douglas J. Doren; Klaus H. Theopold","Spin Surface Crossing in Chromium-Mediated Olefin Epoxidation with O2","Journal of the American Chemical Society","2002","124","","2454","2455","10.1021/ja0167553","","","0.71073","MoKα","","0.0924","0.0666","","","0.1859","0.2086","","","","","","1.4","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114678","28.027","0.0019","11.0543","0.0007","38.51","0.003","90","","104.785","0.001","90","","11536.1","1.4","183","2","183","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C106 H154 Mo2 N6 Na2 O5 P2 -","- C106 H154 Mo2 N6 Na2 O5 P2 -","- C424 H616 Mo8 N24 Na8 O20 P8 -","4","0.5","","Theodor Agapie; Paula L. Diaconescu; Christopher C. Cummins","Methine (CH) Transfer via a Chlorine Atom Abstraction/Benzene-Elimination Strategy: Molybdenum Methylidyne Synthesis and Elaboration to a Phosphaisocyanide Complex","Journal of the American Chemical Society","2002","124","","2412","2413","10.1021/ja017278r","","","0.71073","MoKα","","0.0732","0.0664","","","0.1574","0.1604","","","","","","1.304","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114679","7.621","0.002","9.817","0.002","14.663","0.004","90","","91.74","0.03","90","","1096.5","0.5","20","","20","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H35 Br O S Si -","- C34 H70 Br2 O2 S2 Si2 -","- C34 H70 Br2 O2 S2 Si2 -","","","","Song Ye; Zheng-Zheng Huang; Chun-An Xia; Yong Tang; Li-Xin Dai","A Novel Chiral Sulfonium Yilde: Highly Enantioselective Synthesis of Vinylcyclopropanes","Journal of the American Chemical Society","2002","124","","2432","2433","10.1021/ja0172969","","","0.7107","MoKalpha","","","0.062","","","0.069","","","","","2.44","2.44","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114680","7.4776","0.0017","9.396","0.002","22.56","0.005","90","","90","","90","","1585.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N Si -","- C15 H18 Br N Si -","- C60 H72 Br4 N4 Si4 -","4","1","","Song Ye; Zheng-Zheng Huang; Chun-An Xia; Yong Tang; Li-Xin Dai","A Novel Chiral Sulfonium Yilde: Highly Enantioselective Synthesis of Vinylcyclopropanes","Journal of the American Chemical Society","2002","124","","2432","2433","10.1021/ja0172969","","","0.71073","MoKα","","0.1153","0.0426","","","0.0815","0.0958","","","","","","0.739","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114681","14.043","0.005","13.819","0.005","14.067","0.005","90","0.005","109.169","0.005","90","0.005","2578.5","1.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 O14 -","- C24 H32 O14 -","- C96 H128 O56 -","4","1","","Faiz Ahmed Khan; Jyotirmayee Dash","Synthesis of a Novel, Highly Symmetric Bis-Oxa-Bridged Compound","Journal of the American Chemical Society","2002","124","","2424","2425","10.1021/ja017371f","","","0.71069","MoKα","","0.2385","0.0674","","","0.1463","0.2015","","","","","","0.739","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114682","6.3322","0.0006","28.667","0.003","4.3637","0.0004","90","","90","","90","","792.12","0.13","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","cesium lead bismuth telluride (0.85/0.85/3.15/6)","","- Bi3.15 Cs0.85 Pb0.85 Te6 -","- Bi2 Cs0.42 Te3 -","- Bi8 Cs1.68 Te12 -","4","0.25","","Kuei-Fang Hsu; Duck-Young Chung; Sangeeta Lal; Antje Mrotzek; Theodora Kyratsi; Tim Hogan; Mercouri G. Kanatzidis","CsMBi3Te6 and CsM2Bi3Te7 (M = Pb, Sn): New Thermoelectric Compounds with Low-Dimensional Structures","Journal of the American Chemical Society","2002","124","","2410","2411","10.1021/ja017602i","","","0.71073","MoKα","","0.0475","0.0391","","","0.1049","0.1095","","","","","","1.153","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114683","4.3456","0.0006","32.476","0.005","12.5075","0.0018","90","","90","","90","","1765.2","0.4","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","cesium lead bismuth telluride (0.91/1.91/3.09/7)","","- Bi3.09 Cs0.91 Pb1.91 Te7 -","- Bi2.5 Cs0.455 Te3.5 -","- Bi20 Cs3.64 Te28 -","8","0.5","","Kuei-Fang Hsu; Duck-Young Chung; Sangeeta Lal; Antje Mrotzek; Theodora Kyratsi; Tim Hogan; Mercouri G. Kanatzidis","CsMBi3Te6 and CsM2Bi3Te7 (M = Pb, Sn): New Thermoelectric Compounds with Low-Dimensional Structures","Journal of the American Chemical Society","2002","124","","2410","2411","10.1021/ja017602i","","","0.71073","MoKα","","0.0489","0.041","","","0.1131","0.1179","","","","","","1.062","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114684","6.2613","0.0007","28.479","0.003","4.3207","0.0005","90","","90","","90","","770.45","0.15","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","cesium tin bismuth telluride (0.84/0.84/3.16/6)","","- Bi3.16 Cs0.84 Sn0.84 Te6 -","- Bi1.58 Cs0.42 Sn0.42 Te3 -","- Bi6.32 Cs1.68 Sn1.68 Te12 -","4","0.25","","Kuei-Fang Hsu; Duck-Young Chung; Sangeeta Lal; Antje Mrotzek; Theodora Kyratsi; Tim Hogan; Mercouri G. Kanatzidis","CsMBi3Te6 and CsM2Bi3Te7 (M = Pb, Sn): New Thermoelectric Compounds with Low-Dimensional Structures","Journal of the American Chemical Society","2002","124","","2410","2411","10.1021/ja017602i","","","0.71073","MoKα","","0.0557","0.0467","","","0.1358","0.1412","","","","","","1.213","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114685","4.3881","0.0006","33.139","0.004","12.6075","0.0016","90","","90","","90","","1833.3","0.4","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","cesium tin bismuth telluride (0.88/1.88/3.12/7)","","- Bi3.12 Cs0.88 Sn1.88 Te7 -","- Bi1.558 Cs0.44 Sn0.942 Te3.5 -","- Bi12.464 Cs3.52 Sn7.536 Te28 -","8","0.5","","Kuei-Fang Hsu; Duck-Young Chung; Sangeeta Lal; Antje Mrotzek; Theodora Kyratsi; Tim Hogan; Mercouri G. Kanatzidis","CsMBi3Te6 and CsM2Bi3Te7 (M = Pb, Sn): New Thermoelectric Compounds with Low-Dimensional Structures","Journal of the American Chemical Society","2002","124","","2410","2411","10.1021/ja017602i","","","0.71073","MoKα","","0.0487","0.0353","","","0.0872","0.0922","","","","","","1.018","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114686","13.5216","0.0009","13.6028","0.0009","24.4984","0.0017","79.7","0.001","77.003","0.001","65.881","0.001","3988.1","0.5","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","(K-2,2,2-crypt)2[Ge9(BiPh2)2].en","","- C62 H100 Bi2 Ge9 K2 N6 O12 -","- C62 H100 Bi2 Ge9 K2 N6 O12 -","- C124 H200 Bi4 Ge18 K4 N12 O24 -","2","1","","Angel Ugrinov; Slavi C. Sevov","[Ph2Bi-(Ge9)-BiPh2]2-: A Deltahedral Zintl Ion Functionalized by Exo-Bonded Ligands","Journal of the American Chemical Society","2002","124","","2442","2443","10.1021/ja017813n","","","0.71073","MoKα","","0.0564","0.0457","","","0.1133","0.1175","","","","","","1.026","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114687","13.7111","0.0005","16.1389","0.0005","18.5093","0.0004","85.343","0.001","82.559","0.001","65.539","0.001","3695","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","[(Me3TACN)2Fe2(m-O2CArTol)2(MeCN)2](OTf)2","","","- C67 H84 Cl2 F6 Fe2 N8 O10 S2 -","- C67 H84 Cl2 F6 Fe2 N8 O10 S2 -","- C134 H168 Cl4 F12 Fe4 N16 O20 S4 -","2","1","","Edit Y. Tshuva; Dongwhan Lee; Weiming Bu; Stephen J. Lippard","Catalytic Oxidation by a Carboxylate-Bridged Non-Heme Diiron Complex","Journal of the American Chemical Society","2002","124","","2416","2417","10.1021/ja017890i","","","0.71073","MoKα","","0.1813","0.0775","","","0.1882","0.2288","","","","","","0.977","","","","has coordinates,has disorder","178917","2020-10-21","18:00:00",""
"4114688","13.336","0.002","14.489","0.002","18.441","0.003","101.747","0.004","96.001","0.003","99.667","0.003","3403.4","0.9","273","2","273","2","","","","","","","","8","P -1","-P 1","2","[(Me3TACN)2Fe2(mO)(mO2CArTol)2](OTf)2 CH2Cl2","","","- C63 H77 Cl2 F6 Fe2 N6 O11 S2 -","- C63 H77 Cl2 F6 Fe2 N6 O11 S2 -","- C126 H154 Cl4 F12 Fe4 N12 O22 S4 -","2","1","","Edit Y. Tshuva; Dongwhan Lee; Weiming Bu; Stephen J. Lippard","Catalytic Oxidation by a Carboxylate-Bridged Non-Heme Diiron Complex","Journal of the American Chemical Society","2002","124","","2416","2417","10.1021/ja017890i","","","0.71073","MoKα","","0.3696","0.0966","","","0.1997","0.2984","","","","","","0.833","","","","has coordinates,has disorder","178917","2020-10-21","18:00:00",""
"4114689","16.353","0.002","18.707","0.003","18.231","0.003","90","","90","","90","","5577.1","1.5","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","00348","","","- C40 H52 F12 Fe2 N8 O12 S4 -","- C40 H52 F12 Fe2 N8 O12 S4 -","- C160 H208 F48 Fe8 N32 O48 S16 -","4","1","","Kui Chen; Miquel Costas; Jinheung Kim; Adrianne K. Tipton; Lawrence Que","Olefin Cis-Dihydroxylation versus Epoxidation by Non-Heme Iron Catalysts: Two Faces of an FeIII-OOH Coin","Journal of the American Chemical Society","2002","124","","3026","3035","10.1021/ja0120025","","","0.71073","MoKα","","0.0755","0.0465","","","0.0857","0.0927","","","","","","0.974","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4114690","17.232","0.002","9.54","0.001","18.263","0.002","90","","117.312","0.002","90","","2667.6","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","00309","","","- C20 H26 F6 Fe N4 O6 S2 -","- C20 H26 F6 Fe N4 O6 S2 -","- C80 H104 F24 Fe4 N16 O24 S8 -","4","0.5","","Kui Chen; Miquel Costas; Jinheung Kim; Adrianne K. Tipton; Lawrence Que","Olefin Cis-Dihydroxylation versus Epoxidation by Non-Heme Iron Catalysts: Two Faces of an FeIII-OOH Coin","Journal of the American Chemical Society","2002","124","","3026","3035","10.1021/ja0120025","","","0.71073","MoKα","","0.0597","0.0369","","","0.0919","0.0991","","","","","","1.029","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4114691","12.171","0.003","8.4733","0.0018","18.946","0.004","90","","103.854","0.003","90","","1897","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl F6 N2 P Ru -","- C16 H22 Cl F6 N2 P Ru -","- C64 H88 Cl4 F24 N8 P4 Ru4 -","4","1","","Haimei Chen; John A. Parkinson; Simon Parsons; Robert A. Coxall; Robert O. Gould; Peter J. Sadler","Organometallic Ruthenium(II) Diamine Anticancer Complexes: Arene-Nucleobase Stacking and Stereospecific Hydrogen-Bonding in Guanine Adducts","Journal of the American Chemical Society","2002","124","","3064","3082","10.1021/ja017482e","","","0.71073","MoKα","","0.025","0.023","","","0.0616","0.0625","","","","","","1.062","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114692","11.122","0.0018","12.576","0.002","25.593","0.004","90","","90","","90","","3579.7","1","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H20 Cl F6 N2 P Ru -","- C16 H20 Cl F6 N2 P Ru -","- C128 H160 Cl8 F48 N16 P8 Ru8 -","8","1","","Haimei Chen; John A. Parkinson; Simon Parsons; Robert A. Coxall; Robert O. Gould; Peter J. Sadler","Organometallic Ruthenium(II) Diamine Anticancer Complexes: Arene-Nucleobase Stacking and Stereospecific Hydrogen-Bonding in Guanine Adducts","Journal of the American Chemical Society","2002","124","","3064","3082","10.1021/ja017482e","","","0.71073","MoKα","","0.0516","0.0444","","","0.1021","0.1055","","","","","","1.038","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114693","13.2927","0.0014","15.9583","0.0017","15.0878","0.0016","90","","108.613","0.002","90","","3033.2","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H31 F12 N7 O2 P2 Ru -","- C22 H31 F12 N7 O2 P2 Ru -","- C88 H124 F48 N28 O8 P8 Ru4 -","4","1","","Haimei Chen; John A. Parkinson; Simon Parsons; Robert A. Coxall; Robert O. Gould; Peter J. Sadler","Organometallic Ruthenium(II) Diamine Anticancer Complexes: Arene-Nucleobase Stacking and Stereospecific Hydrogen-Bonding in Guanine Adducts","Journal of the American Chemical Society","2002","124","","3064","3082","10.1021/ja017482e","","","0.71073","MoKα","","0.0958","0.0896","","","0.2164","0.2203","","","","","","1.222","","","","has coordinates,has disorder","178917","2020-10-21","18:00:00",""
"4114694","8.85","0.003","11.543","0.004","17.556","0.005","103.254","0.004","92.885","0.004","90.983","0.004","1742.7","1","150","","150","","","","","","","","?","7","P 1","P 1","1","","","","- C24 H38.5 F12 N7 O8.75 P2 Ru -","- C24 H38.5 F12 N7 O8.75 P2 Ru -","- C48 H77 F24 N14 O17.5 P4 Ru2 -","2","2","","Haimei Chen; John A. Parkinson; Simon Parsons; Robert A. Coxall; Robert O. Gould; Peter J. Sadler","Organometallic Ruthenium(II) Diamine Anticancer Complexes: Arene-Nucleobase Stacking and Stereospecific Hydrogen-Bonding in Guanine Adducts","Journal of the American Chemical Society","2002","124","","3064","3082","10.1021/ja017482e","","","0.71073","MoKα","","","0.0665","","","","0.0695","","","","","","0.981","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114695","16.6279","0.0011","9.0528","0.0006","21.5446","0.0015","90","","99.677","0.001","90","","3196.9","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H35 F12 N7 O2 P2 Ru -","- C24 H35 F12 N7 O2 P2 Ru -","- C96 H140 F48 N28 O8 P8 Ru4 -","4","1","","Haimei Chen; John A. Parkinson; Simon Parsons; Robert A. Coxall; Robert O. Gould; Peter J. Sadler","Organometallic Ruthenium(II) Diamine Anticancer Complexes: Arene-Nucleobase Stacking and Stereospecific Hydrogen-Bonding in Guanine Adducts","Journal of the American Chemical Society","2002","124","","3064","3082","10.1021/ja017482e","","","0.71073","MoKα","","0.0695","0.0593","","","0.1336","0.1391","","","","","","1.132","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114696","10.6486","0.0017","12.317","0.002","13.006","0.002","73.957","0.002","79.483","0.002","84.977","0.002","1610.6","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H37 F12 N7 O3 P2 Ru -","- C25 H37 F12 N7 O3 P2 Ru -","- C50 H74 F24 N14 O6 P4 Ru2 -","2","1","","Haimei Chen; John A. Parkinson; Simon Parsons; Robert A. Coxall; Robert O. Gould; Peter J. Sadler","Organometallic Ruthenium(II) Diamine Anticancer Complexes: Arene-Nucleobase Stacking and Stereospecific Hydrogen-Bonding in Guanine Adducts","Journal of the American Chemical Society","2002","124","","3064","3082","10.1021/ja017482e","","","0.71073","MoKα","","0.0315","0.0291","","","0.0753","0.0768","","","","","","1.035","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114697","15.499","0.003","19.415","0.004","33.223","0.007","85.07","0.03","83.43","0.03","73.24","0.03","9495","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Rh6(CO)9(dppm)2(mu3-eta2,eta2,eta2-C60) (1)","Hexarhodiumnonacarbonyldi(bis(diphenylphosphino)methane)fullereneC60","","- C119 H44 O9 P4 Rh6 -","- C119 H44 O9 P4 Rh6 -","- C476 H176 O36 P16 Rh24 -","4","2","","Kwangyeol Lee; Hyunjoon Song; Bongsoo Kim; Joon T. Park; Sangwoo Park; Moon-Gun Choi","The First Fullerene-Metal Sandwich Complex: An Unusually Strong Electronic Communication between Two C60 Cages","Journal of the American Chemical Society","2002","124","","2872","2873","10.1021/ja017496k","","","0.71073","MoKα","","0.2764","0.1036","","","0.2154","0.2965","","","","","","0.941","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114698","17.59","0.03","23.98","0.05","31.9","0.06","90","","96.75","0.04","90","","13362","4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Rh6(CO)5(dppm)2(CNCH2C6H5)(mu3-eta2,eta2,eta2-C60)2 (2)","Hexarhodiumpentacarbonyldi(bis(diphenylphosphino)methane) benzylisocyanidedifullereneC60","","- C194.75 H57 Cl3 N O5 P4 Rh6 S5.5 -","- C194.75 H57 Cl3 N O5 P4 Rh6 S5.5 -","- C779 H228 Cl12 N4 O20 P16 Rh24 S22 -","4","1","","Kwangyeol Lee; Hyunjoon Song; Bongsoo Kim; Joon T. Park; Sangwoo Park; Moon-Gun Choi","The First Fullerene-Metal Sandwich Complex: An Unusually Strong Electronic Communication between Two C60 Cages","Journal of the American Chemical Society","2002","124","","2872","2873","10.1021/ja017496k","","","0.71073","MoKα","","0.1654","0.0848","","","0.229","0.2614","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114699","7.395","0.001","10.65","0","16.25","0","90","","99.52","0","90","","1262.17","0.17","273.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-Acetyl-3a-hydroxy-4-phenyl-3, 3a, 6, 6a-tetrahydro-2H-pentalen-1-one","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","Paul A. Wender; Gabriel G. Gamber; Robert D. Hubbard; Lei Zhang","Three-Component Cycloadditions: The First Transition Metal-Catalyzed [5+2+1] Cycloaddition Reactions","Journal of the American Chemical Society","2002","124","","2876","2877","10.1021/ja0176301","","","0.7107","MoKα","","","0.045","","","","0.101","","","","","","0.911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114700","9.498","0.001","22.5","0","23.48","0","90","","90","","90","","5017.8","0.5","273.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3a-Hydroxy-6-oxo-3-phenyl-1,3a,4,5,6,6a-hexahydropentalene -2-carboxylic acid amide","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C240 H240 N16 O48 -","16","2","","Paul A. Wender; Gabriel G. Gamber; Robert D. Hubbard; Lei Zhang","Three-Component Cycloadditions: The First Transition Metal-Catalyzed [5+2+1] Cycloaddition Reactions","Journal of the American Chemical Society","2002","124","","2876","2877","10.1021/ja0176301","","","0.7107","MoKα","","","0.038","","","","0.097","","","","","","0.624","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114701","8.47","0","11.582","0.001","16.209","0.001","90","","103.09","0","90","","1548.78","0.16","273.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3a-Hydroxy-6-oxo-3-(trimethylsilyl)-1,3a,4,5,6,6a-tetrahydropentalene -2-carboxylic acid ethyl ester","","- C14 H22 O4 Si -","- C14 H22 O4 Si -","- C56 H88 O16 Si4 -","4","1","","Paul A. Wender; Gabriel G. Gamber; Robert D. Hubbard; Lei Zhang","Three-Component Cycloadditions: The First Transition Metal-Catalyzed [5+2+1] Cycloaddition Reactions","Journal of the American Chemical Society","2002","124","","2876","2877","10.1021/ja0176301","","","0.7107","MoKα","","","0.047","","","","0.113","","","","","","1.416","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114702","9.15","0","17.44","0","9.66","0","90","","92.31","0","90","","1540.25","","273.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3, 6-Dioxoo-2-(trimethylsilyl)-cyclooct-1-enecarboxylic acid ethyl ester","","- C14 H22 O4 Si -","- C14 H22 O4 Si -","- C56 H88 O16 Si4 -","4","1","","Paul A. Wender; Gabriel G. Gamber; Robert D. Hubbard; Lei Zhang","Three-Component Cycloadditions: The First Transition Metal-Catalyzed [5+2+1] Cycloaddition Reactions","Journal of the American Chemical Society","2002","124","","2876","2877","10.1021/ja0176301","","","0.7107","MoKα","","","0.045","","","","0.111","","","","","","0.847","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114703","13.2805","0.0007","10.3291","0.0005","22.9583","0.0012","90","","92.136","0.001","90","","3147.1","0.3","213","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetrakis(anisylformamidinato)-bis(oxo)dimolybdenum(IV)","trans-bis-η^2^-(N,N'-di-(p-anisylformamidinato) -bis-μ~2~-oxobis(μ~2~-N,N'-di- (p-anisylformamidinato)dimolybdenum(IV)","","- C62 H64 Cl4 Mo2 N8 O10 -","- C62 H64 Cl4 Mo2 N8 O10 -","- C124 H128 Cl8 Mo4 N16 O20 -","2","0.5","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; J. Garrett Slaton","A Pseudo-Jahn-Teller Distortion in an Mo2(μ2-O)2 Ring Having the Shortest MoIV-MoIV Double Bond","Journal of the American Chemical Society","2002","124","","2878","2879","10.1021/ja025713r","","","0.71073","MoKα","","0.0621","0.0453","","","0.1138","0.1256","","","","","","1.052","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114704","10.9617","0.0006","11.7084","0.0007","15.7064","0.0009","90.159","0.001","109.177","0.001","98.745","0.001","1878.82","0.19","213","2","293","2","","","","","","","","5","P -1","-P 1","2","bis-acetato-bis-xylylformamidinato-bis-oxodimolybdenum(IV)","trans-di-η^2^-acetato-di-μ~2~-oxobis (μ~2~-N,N'-di-(2,6-xylylformamidinato) dimolybdenum(IV)","","- C38 H45 Mo2 N4 O6 -","- C38 H45 Mo2 N4 O6 -","- C76 H90 Mo4 N8 O12 -","2","1","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; J. Garrett Slaton","A Pseudo-Jahn-Teller Distortion in an Mo2(μ2-O)2 Ring Having the Shortest MoIV-MoIV Double Bond","Journal of the American Chemical Society","2002","124","","2878","2879","10.1021/ja025713r","","","0.71073","MoKα","","0.0342","0.0279","","","0.0681","0.0717","","","","","","1.049","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114705","16.8232","0.0014","14.517","0.0012","20.3207","0.0017","90","0.002","110.245","0.001","90","0.002","4656.2","0.7","213","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis-acetato-bis-xylylformamidinato-bis- oxodimolybdenum(IV) chloroform solvate","trans-di-η^2^-acetato-di-μ~2~-oxobis (μ~2~-N,N'-di-(2,6-xylylformamidinato) dimolybdenum(IV) chloroform solvate'","","- C39.93 H45.93 Cl5.8 Mo2 N4 O6 -","- C39.932 H45.932 Cl5.796 Mo2 N4 O6 -","- C159.728 H183.728 Cl23.184 Mo8 N16 O24 -","4","0.5","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; J. Garrett Slaton","A Pseudo-Jahn-Teller Distortion in an Mo2(μ2-O)2 Ring Having the Shortest MoIV-MoIV Double Bond","Journal of the American Chemical Society","2002","124","","2878","2879","10.1021/ja025713r","","","0.71073","MoKα","","0.0618","0.0458","","","0.116","0.1271","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114706","25.2041","0.0008","25.2041","0.0008","25.2041","0.0008","90","","90","","90","","16010.8","0.9","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","Ba16Na204Sn309.95","","","- Ba16 Na204 Sn309.95 -","- Ba16 Na204 Sn310.096 -","- Ba16 Na204 Sn310.096 -","1","0.0104167","","Svilen Bobev; Slavi C. Sevov","Naked Clusters of 56 Tin Atoms in the Solid State","Journal of the American Chemical Society","2002","124","","3359","3365","10.1021/ja012549j","","","0.71073","MoKα","","0.0362","0.0354","","","0.1014","0.1024","","","","","","1.062","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114707","25.1998","0.0006","25.1998","0.0006","25.1998","0.0006","90","","90","","90","","16002.6","0.7","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","Ba16Na204Sn309.48","","","- Ba16 Na204 Sn309.48 -","- Ba16 Na204 Sn309.648 -","- Ba16 Na204 Sn309.648 -","1","0.0104167","","Svilen Bobev; Slavi C. Sevov","Naked Clusters of 56 Tin Atoms in the Solid State","Journal of the American Chemical Society","2002","124","","3359","3365","10.1021/ja012549j","","","0.71073","Mokα","","0.0442","0.0363","","","0.0858","0.0894","","","","","","1.07","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114708","25.0534","0.0009","25.0534","0.0009","25.0534","0.0009","90","","90","","90","","15725.3","1","100","10","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","Ba16Na204Sn322.38","","","- Ba16 Na204 Sn322.38 -","- Ba16 Na204 Sn322.352 -","- Ba16 Na204 Sn322.352 -","1","0.0104167","","Svilen Bobev; Slavi C. Sevov","Naked Clusters of 56 Tin Atoms in the Solid State","Journal of the American Chemical Society","2002","124","","3359","3365","10.1021/ja012549j","","","0.71073","MoKα","","0.0454","0.0412","","","0.1211","0.1422","","","","","","1.187","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114709","25.2029","0.0006","25.2029","0.0006","25.2029","0.0006","90","","90","","90","","16008.5","0.7","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","Ba16Na204Sn309.50","","","- Ba16 Na204 Sn309.5 -","- Ba16 Na204 Sn309.344 -","- Ba16 Na204 Sn309.344 -","1","0.0104167","","Svilen Bobev; Slavi C. Sevov","Naked Clusters of 56 Tin Atoms in the Solid State","Journal of the American Chemical Society","2002","124","","3359","3365","10.1021/ja012549j","","","0.71073","Mokα","","0.0498","0.0404","","","0.1034","0.1091","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114710","23.072","0.002","11.8337","0.0011","25.771","0.002","90","","111.509","0.002","90","","6546.2","1","293","2","213","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","Ni3(C10H8N3)4(PF6)3 (CH2Cl2)5","","","- C45 H42 Cl10 F18 N12 Ni3 P3 -","- C45 H32 Cl10 F18 N12 Ni3 P3 -","- C180 H128 Cl40 F72 N48 Ni12 P12 -","4","1","","John F. Berry; F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo","A Trinickel Dipyridylamido Complex with Metal-Metal Bonding Interaction: Prelude to Polynickel Molecular Wires and Devices?","Journal of the American Chemical Society","2002","124","","3212","3213","10.1021/ja025543i","","","0.71073","MoKα","","0.073","0.0612","","","0.1503","0.1589","","","","","","1.062","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114711","26.493","0.002","26.493","0.002","37.545","0.006","90","","90","","120","","22822","4","170","2","170","2","","","","","","","","9","P -3 1 c","-P 3 2c","163","star-shaped tricluster T1","","","- C108 H237 F36 N6 O9.5 P15 Re18 Sb6 Se24 -","- C108 H237 F35.94 N6 O9.5 P15 Re18 Sb5.99 Se24 -","- C432 H948 F143.76 N24 O38 P60 Re72 Sb23.96 Se96 -","4","0.333333","","Bryan K. Roland; Hugh D. Selby; Michael D. Carducci; Zhiping Zheng","Built to Order: Molecular Tinkertoys from the [Re6(μ3-Se)8]2+ Clusters","Journal of the American Chemical Society","2002","124","","3222","3223","10.1021/ja025869r","","","0.71073","MoKα","","0.1865","0.091","","","0.1962","0.2792","","","","","","1.115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114712","12.767","0.006","16.259","0.007","9.811","0.004","104.373","0.008","103.391","0.007","105.219","0.007","1805.1","1.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H52 Fe O2 P4 -","- C38 H52 Fe O2 P4 -","- C76 H104 Fe2 O4 P8 -","2","1","","Leslie D. Field; Anthony J. Turnbull; Peter Turner","Acetylide-Bridged Organometallic Oligomers via the Photochemical Metathesis of Methyl-Iron(II) Complexes","Journal of the American Chemical Society","2002","124","","3692","3702","10.1021/ja011105k","","","0.71073","MoKα","","0.058","0.0375","","","0.0879","0.0982","","","","","","1.023","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114713","9.108","0.002","18.09","0.003","9.526","0.001","90","","94.42","0.01","90","","1564.9","0.5","293","2","294","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C29 H44 Fe O P4 -","- C29 H44 Fe O P4 -","- C58 H88 Fe2 O2 P8 -","2","0.5","","Leslie D. Field; Anthony J. Turnbull; Peter Turner","Acetylide-Bridged Organometallic Oligomers via the Photochemical Metathesis of Methyl-Iron(II) Complexes","Journal of the American Chemical Society","2002","124","","3692","3702","10.1021/ja011105k","","","1.54178","CuKα","","0.1371","0.0658","","","0.1803","0.1962","","","","","","1.498","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114714","9.1079","0.0006","8.904","0.0006","30.985","0.002","90","","95.732","0.001","90","","2500.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H40 Fe P4 -","- C21 H40 Fe P4 -","- C84 H160 Fe4 P16 -","4","1","","Leslie D. Field; Anthony J. Turnbull; Peter Turner","Acetylide-Bridged Organometallic Oligomers via the Photochemical Metathesis of Methyl-Iron(II) Complexes","Journal of the American Chemical Society","2002","124","","3692","3702","10.1021/ja011105k","","","0.71069","MoKα","","0.0825","0.0544","","","0.1203","0.1378","","","","","","1.16","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114715","15.963","0.001","11.278","0.001","15.269","0.001","90","","93.842","0.004","90","","2742.7","0.3","123.2","","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 O3 P -","- C31 H37 O3 P -","- C124 H148 O12 P4 -","4","1","","Junji Kobayashi; Kei Goto; Takayuki Kawashima; Michael W. Schmidt; Shigeru Nagase","Synthesis, Structure, and Bonding Properties of 5-Carbaphosphatranes: A New Class of Main Group Atrane","Journal of the American Chemical Society","2002","124","","3703","3712","10.1021/ja011458j","","","0.71073","MoKα","","0.066","0.057","","","0.1435","0.1483","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114716","13.8887","0.0012","21.6453","0.0018","7.7372","0.0007","90","","104.552","0.002","90","","2251.4","0.3","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 O9 -","- C25 H20 N2 O9 -","- C100 H80 N8 O36 -","4","1","","Steven R. Angle; Nahla A. El-Said","Stereoselective Synthesis of Tetrahydrofurans via Formal [3+2]-Cycloaddition of Aldehydes and Allylsilanes. Formal Total Synthesis of the Muscarine Alkaloids (-)-Allomuscarine and (+)-Epimuscarine","Journal of the American Chemical Society","2002","124","","3608","3613","10.1021/ja012193b","","","0.71073","MoKα","","0.0667","0.0445","","","0.1186","0.1352","","","","","","1.024","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114717","7.087","0.0007","16.9693","0.0018","9.3073","0.001","90","","107.992","0.002","90","","1064.57","0.19","213","2","213","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","","Steven R. Angle; Nahla A. El-Said","Stereoselective Synthesis of Tetrahydrofurans via Formal [3+2]-Cycloaddition of Aldehydes and Allylsilanes. Formal Total Synthesis of the Muscarine Alkaloids (-)-Allomuscarine and (+)-Epimuscarine","Journal of the American Chemical Society","2002","124","","3608","3613","10.1021/ja012193b","","","0.71073","MoKα","","0.0443","0.0404","","","0.1108","0.1159","","","","","","1.038","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114718","21.832","0.003","16.948","0.003","13.0648","0.0019","90","","102.938","0.003","90","","4711.4","1.3","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N2 O9 -","- C26 H22 N2 O9 -","- C208 H176 N16 O72 -","8","1","","Steven R. Angle; Nahla A. El-Said","Stereoselective Synthesis of Tetrahydrofurans via Formal [3+2]-Cycloaddition of Aldehydes and Allylsilanes. Formal Total Synthesis of the Muscarine Alkaloids (-)-Allomuscarine and (+)-Epimuscarine","Journal of the American Chemical Society","2002","124","","3608","3613","10.1021/ja012193b","","","0.71073","MoKα","","0.0495","0.036","","","0.0972","0.106","","","","","","1.015","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114719","7.0177","0.0009","13.6122","0.0018","22.516","0.003","90","","90","","90","","2150.9","0.5","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O9 -","- C21 H20 N2 O9 -","- C84 H80 N8 O36 -","4","1","","Steven R. Angle; Nahla A. El-Said","Stereoselective Synthesis of Tetrahydrofurans via Formal [3+2]-Cycloaddition of Aldehydes and Allylsilanes. Formal Total Synthesis of the Muscarine Alkaloids (-)-Allomuscarine and (+)-Epimuscarine","Journal of the American Chemical Society","2002","124","","3608","3613","10.1021/ja012193b","","","0.71073","MoKα","","0.0559","0.0359","","","0.0743","0.0811","","","","","","1.017","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114720","6.962","0.001","20.91","0.003","7.2754","0.0011","90","","106.319","0.003","90","","1016.4","0.3","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H20 N2 O9 -","- C21 H20 N2 O9 -","- C42 H40 N4 O18 -","2","1","","Steven R. Angle; Nahla A. El-Said","Stereoselective Synthesis of Tetrahydrofurans via Formal [3+2]-Cycloaddition of Aldehydes and Allylsilanes. Formal Total Synthesis of the Muscarine Alkaloids (-)-Allomuscarine and (+)-Epimuscarine","Journal of the American Chemical Society","2002","124","","3608","3613","10.1021/ja012193b","","","0.71073","MoKα","","0.0457","0.0356","","","0.0793","0.084","","","","","","1.013","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114721","7.348","0.004","12.026","0.006","12.432","0.006","107.506","0.008","90.37","0.009","95.405","0.009","1042.3","0.9","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 N O5 Si -","- C21 H25 N O5 Si -","- C42 H50 N2 O10 Si2 -","2","1","","Steven R. Angle; Nahla A. El-Said","Stereoselective Synthesis of Tetrahydrofurans via Formal [3+2]-Cycloaddition of Aldehydes and Allylsilanes. Formal Total Synthesis of the Muscarine Alkaloids (-)-Allomuscarine and (+)-Epimuscarine","Journal of the American Chemical Society","2002","124","","3608","3613","10.1021/ja012193b","","","0.71073","MoKα","","0.1004","0.0756","","","0.1947","0.227","","","","","","1.019","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114722","19.972","0.007","14.196","0.005","20.986","0.008","90","","117.548","0.011","90","","5275","3","91","2","91","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4,5-dimethoxyl-o-quinodimethane-Sc3N@C80","","","- C102 H24 N O2 Sc3 -","- C102 H24 N O2 Sc3 -","- C408 H96 N4 O8 Sc12 -","4","1","","Hon Man Lee; Marilyn M. Olmstead; Erick Iezzi; James C. Duchamp; Harry C. Dorn; Alan L. Balch","Crystallographic Characterization and Structural Analysis of the First Organic Functionalization Product of the Endohedral Fullerene Sc3N@C80","Journal of the American Chemical Society","2002","124","","3494","3495","10.1021/ja020065x","","","0.71073","MoKα","","0.2161","0.0643","","","0.1098","0.1513","","","","","","0.848","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114723","12.5777","0.001","14.3912","0.0011","14.5461","0.0011","102.69","","91.498","0.001","98.53","0.001","2535.5","0.3","165","2","165","2","","","","","","","synthetic","5","P -1","-P 1","2","","","","- C44 H64 Co N18 V2 -","- C44 H64 Co N18 V2 -","- C88 H128 Co2 N36 V4 -","2","1","","Matthew P. Shores; Jeffrey R. Long","Tetracyanide-Bridged Divanadium Complexes: Redox Switching between Strong Antiferromagnetic and Strong Ferromagnetic Coupling","Journal of the American Chemical Society","2002","124","","3512","3513","10.1021/ja025512n","","","0.71073","MoKα","","0.1129","0.0605","","0.1595","0.1318","","","","1.018","1.077","1.077","","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114724","18.905","0.004","14.931","0.003","15.295","0.003","90","","90","","90","","4317.3","1.5","163","2","163","2","","","","","","","synthetic","5","P b c n","-P 2n 2ab","60","","","","- C33.5 H59.5 N16.5 O2.5 V2 -","- C33.5 H42 N16.5 O2.5 V2 -","- C134 H168 N66 O10 V8 -","4","0.5","","Matthew P. Shores; Jeffrey R. Long","Tetracyanide-Bridged Divanadium Complexes: Redox Switching between Strong Antiferromagnetic and Strong Ferromagnetic Coupling","Journal of the American Chemical Society","2002","124","","3512","3513","10.1021/ja025512n","","","0.71073","MoKα","","0.1486","0.0772","","0.2548","0.2184","","","","1.065","1.23","1.23","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114725","13.8604","0.0004","18.4059","0.0008","9.3622","0.0003","90","","102.925","0.002","90","","2327.91","0.14","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Br O2 -","- C28 H24 Br O2 -","- C112 H96 Br4 O8 -","4","1","","Christopher P. McArdle; Steve Van; Michael C. Jennings; Richard J. Puddephatt","Gold(I) Macrocycles and Topologically Chiral [2]Catenanes","Journal of the American Chemical Society","2002","124","","3959","3965","10.1021/ja012006+","","","0.71073","MoKα","","0.1111","0.0407","","","0.0864","0.1011","","","","","","0.893","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114726","20.1462","0.0004","12.8256","0.0002","39.3165","0.0007","90","","99.197","0.001","90","","10028.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H54.5 Au2 Br O3 P2 -","- C57 H54.5 Au2 Br O3 P2 -","- C456 H436 Au16 Br8 O24 P16 -","8","2","","Christopher P. McArdle; Steve Van; Michael C. Jennings; Richard J. Puddephatt","Gold(I) Macrocycles and Topologically Chiral [2]Catenanes","Journal of the American Chemical Society","2002","124","","3959","3965","10.1021/ja012006+","","","0.71073","MoKα","","0.1494","0.0593","","","0.1465","0.1651","","","","","","0.933","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114727","11.2137","0.0003","20.7128","0.0007","24.6213","0.0007","104.052","0.002","93.098","0.002","102.873","0.002","5372.7","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56.5 H53 Au2 Br Cl3 O2.5 P2 -","- C56.5 H53 Au2 Br Cl3 O2.5 P2 -","- C226 H212 Au8 Br4 Cl12 O10 P8 -","4","2","","Christopher P. McArdle; Steve Van; Michael C. Jennings; Richard J. Puddephatt","Gold(I) Macrocycles and Topologically Chiral [2]Catenanes","Journal of the American Chemical Society","2002","124","","3959","3965","10.1021/ja012006+","","","0.71073","MoKα","","0.1119","0.0569","","","0.1318","0.1479","","","","","","0.946","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114728","17.9762","0.0006","14.4378","0.0005","23.713","0.0007","90","","104.178","0.001","90","","5966.9","0.3","293","2","188","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Fe(O2CArTol)(2,4-tBu2C6H3O)(4-tBuC5H4N)]","","","- C66 H68 Cl2 Fe N O5 -","- C66 H68 Cl2 Fe N O5 -","- C264 H272 Cl8 Fe4 N4 O20 -","4","1","","Dongwhan Lee; Brad Pierce; Carsten Krebs; Michael P. Hendrich; Boi Hanh Huynh; Stephen J. Lippard","Functional Mimic of Dioxygen-Activating Centers in Non-Heme Diiron Enzymes: Mechanistic Implications of Paramagnetic Intermediates in the Reactions between Diiron(II) Complexes and Dioxygen","Journal of the American Chemical Society","2002","124","","3993","4007","10.1021/ja012251t","","","0.71073","MoKα","","0.2091","0.0776","","","0.1728","0.2217","","","","","","0.988","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114729","10.865","0.001","19.237","0.002","10.054","0.001","90","0.002","114.442","0.001","90","0.002","1913.1","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","oktakis(μ-acetato-O,O')bis(μ-acetato-O,O)bis(μ-1,3-bis (dimethylamino)N,N'-2-propoxo-O) tetra-zinc(II)","","- C26 H52 N4 O14 Zn4 -","- C13 H26 N2 O7 Zn2 -","- C52 H104 N8 O28 Zn8 -","4","1","","Alojz Demšar; Janez Košmrlj; Saša Petriček","Variable-Temperature Nuclear Magnetic Resonance Spectroscopy Allows Direct Observation of Carboxylate Shift in Zinc Carboxylate Complexes","Journal of the American Chemical Society","2002","124","","3951","3958","10.1021/ja016534x","","","0.7107","MoKα","","0.124","0.061","","0.184","0.073","","","","1.853","0.991","0.991","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4114730","11.647","0.007","10.178","0.002","19.63","0.01","90","0.02","106.97","0.05","90","0.02","2225.7","1.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","oktakis(μ-propionato-O,O'bis(μ-propionato-O,O)bis(μ-1,3-bis (dimethylamino)N,N'-2-propoxo-O) tetra-zinc(II)","","- C32 H64 N4 O14 Zn4 -","- C16 H32 N2 O7 Zn2 -","- C64 H128 N8 O28 Zn8 -","4","1","","Alojz Demšar; Janez Košmrlj; Saša Petriček","Variable-Temperature Nuclear Magnetic Resonance Spectroscopy Allows Direct Observation of Carboxylate Shift in Zinc Carboxylate Complexes","Journal of the American Chemical Society","2002","124","","3951","3958","10.1021/ja016534x","","","0.7107","MoKα","","0.2","0.042","","0.268","0.047","","","","2.998","0.95","0.95","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4114731","10.7671","0.0002","13.4855","0.0003","15.5292","0.0004","90","","90.761","0.001","90","","2254.64","0.09","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","catena tetrakis(μ-acetato-O,O')(μ-acetato-O,O)(μ-1,3-bis (dimethylamino)N,N'-2-propoxo-O) di-zinc(II)","","- C14 H26 Cl2 D2 N2 O7 Zn2 -","- C14 H26 Cl2 D2 N2 O7 Zn2 -","- C56 H104 Cl8 D8 N8 O28 Zn8 -","4","1","","Alojz Demšar; Janez Košmrlj; Saša Petriček","Variable-Temperature Nuclear Magnetic Resonance Spectroscopy Allows Direct Observation of Carboxylate Shift in Zinc Carboxylate Complexes","Journal of the American Chemical Society","2002","124","","3951","3958","10.1021/ja016534x","","","0.71073","MoKα","","0.0612","0.0398","","","0.0882","0.0987","","","","","","1.036","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114732","7.3796","0.0006","12.147","0.0009","16.8549","0.0013","100.46","0.002","90.076","0.001","95.517","0.001","1478.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- F5 N O3 Pb3 -","- F5 N0.9915 O3 Pb3 -","- F40 N7.932 O24 Pb24 -","8","4","","Dat T. Tran; Peter Y. Zavalij; Scott R. J. Oliver","Pb3F5NO3, a Cationic Layered Material for Anion-Exchange","Journal of the American Chemical Society","2002","124","","3966","3969","10.1021/ja017333w","","","0.71073","MoKα","","0.0774","0.0496","","","0.0734","0.0797","","","","","","0.979","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114733","11.05","0.0003","13.1794","0.0003","14.4436","0.0003","105.362","0.001","92.979","0.001","114.077","0.001","1820.98","0.08","273.2","","273.2","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H55 Cl2 Hf Sn -","- C40 H55 Cl Hf Sn -","- C80 H110 Cl2 Hf2 Sn2 -","2","1","","Nathan R. Neale; T. Don Tilley","A New Mechanism for Metal-Catalyzed Stannane Dehydrocoupling Based on α-H-Elimination in a Hafnium Hydrostannyl Complex","Journal of the American Chemical Society","2002","124","","3802","3803","10.1021/ja017495s","","","0.7107","MoKα","","0","0.0343","","0","0.0398","","","","","","","1.296","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114734","17.2627","0.0005","17.2627","0.0005","25.6138","0.0008","90","","90","","120","","6610.3","0.3","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Gd4 H24 Mo12 O60 -","- Gd4 Mo12 O54 -","- Gd24 Mo72 O324 -","6","0.166667","","Chuan-De Wu; Can-Zhong Lu; Hong-Hui Zhuang; Jin-Shun Huang","Hydrothermal Assembly of a Novel Three-Dimensional Framework Formed by [GdMo12O42]9- Anions and Nine Coordinated GdIII Cations","Journal of the American Chemical Society","2002","124","","3836","3837","10.1021/ja017782w","","","0.71073","MoKα","","","0.0467","","","0.1124","0.1209","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114735","10.1121","0.0006","17.4856","0.0007","19.8355","0.0011","98.784","0.004","90.512","0.004","94.789","0.004","3453.2","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","6,21-Di-p-tolyl-11,16-diphenyl-para-benziporphyrin","","- C48 H35 N3 -","- C48 H35 N3 -","- C192 H140 N12 -","4","2","","Marcin Stępień; Lechosław Latos-Grażyński","Tetraphenyl-p-benziporphyrin: A Carbaporphyrinoid with Two Linked Carbon Atoms in the Coordination Core","Journal of the American Chemical Society","2002","124","","3838","3839","10.1021/ja017852z","","","0.71073","MoKα","","0.0786","0.0524","","","0.1382","0.152","","","","","","1.129","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114736","18.669","0.001","15.602","0.001","14.583","0.001","90","","90","","90","","4247.6","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","5,10,15,20-tetraphenyl-para-benziporphyrin dication dichloride dichloromethane disolvate monohydrate","","- C47.8 H36.6 Cl5.9 N3 O0.9 -","- C47.823 H36.646 Cl5.922 N3 O0.862 -","- C191.292 H146.584 Cl23.688 N12 O3.448 -","4","0.5","","Marcin Stępień; Lechosław Latos-Grażyński","Tetraphenyl-p-benziporphyrin: A Carbaporphyrinoid with Two Linked Carbon Atoms in the Coordination Core","Journal of the American Chemical Society","2002","124","","3838","3839","10.1021/ja017852z","","","0.71073","MoKα","","0.0649","0.0539","","","0.1299","0.1362","","","","","","1.106","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114737","9.0546","0.0005","13.9101","0.0008","18.5544","0.0011","69.39","0.005","86.016","0.005","79.09","0.005","2147.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Chlorocadmium(II) 5,10,15,20-tetraphenyl-p-benziporphyrin chloroform-d disolvate","","- C48 H30 Cd Cl7 D2 N3 -","- C48 H30 Cd Cl7 D2 N3 -","- C96 H60 Cd2 Cl14 D4 N6 -","2","1","","Marcin Stępień; Lechosław Latos-Grażyński","Tetraphenyl-p-benziporphyrin: A Carbaporphyrinoid with Two Linked Carbon Atoms in the Coordination Core","Journal of the American Chemical Society","2002","124","","3838","3839","10.1021/ja017852z","","","0.71073","MoKα","","0.0475","0.0362","","","0.0883","0.0931","","","","","","1.091","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114738","8.155","0.002","17.61","0.004","17.818","0.002","90","","91.87","0.01","90","","2557.5","0.9","223.2","","223.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H37 O2 P -","- C27 H37 O2 P -","- C108 H148 O8 P4 -","4","2","","Li-Biao Han; Chang-Qiu Zhao; Shun-ya Onozawa; Midori Goto; Masato Tanaka","Retention of Configuration on the Oxidative Addition of P-H Bond to Platinum (0) Complexes: The First Straightforward Synthesis of Enantiomerically Pure P-Chiral Alkenylphosphinates via Palladium-Catalyzed Stereospecific Hydrophosphinylation of Alkynes","Journal of the American Chemical Society","2002","124","","3842","3843","10.1021/ja025816+","","","0.7107","MoKα","","0.0443","0.0443","","","0.0542","0.0542","","","","","","1.361","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114739","17.455","0.006","21.777","0.004","11.484","0.003","90","","90","","90","","4365","2","203.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H73 O2 P3 Pt -","- C42 H73 O2 P3 Pt -","- C168 H292 O8 P12 Pt4 -","4","1","","Li-Biao Han; Chang-Qiu Zhao; Shun-ya Onozawa; Midori Goto; Masato Tanaka","Retention of Configuration on the Oxidative Addition of P-H Bond to Platinum (0) Complexes: The First Straightforward Synthesis of Enantiomerically Pure P-Chiral Alkenylphosphinates via Palladium-Catalyzed Stereospecific Hydrophosphinylation of Alkynes","Journal of the American Chemical Society","2002","124","","3842","3843","10.1021/ja025816+","","","0.7107","MoKα","","","0.0486","","","","0.1258","","","","","","1.266","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114740","14.756","0.003","14.818","0.003","19.881","0.004","86.28","0.02","86.83","0.02","61.74","0.02","3819.4","1.5","111","2","113","2","","","","","","","","6","P -1","-P 1","2","Er2@C82.Co(OEP).1.4C6H6.0.3CHCl3","","","- C126.7 H52.7 Cl0.9 Co Er2 N4 -","- C126.7 H52.7 Cl0.9 Co Er1.845 N4 -","- C253.4 H105.4 Cl1.8 Co2 Er3.69 N8 -","2","1","","Marilyn M. Olmstead; Ana de Bettencourt-Dias; S. Stevenson; Harry C. Dorn; Alan L. Balch","Crystallographic Characterization of the Structure of the Endohedral Fullerene {Er2@C82Isomer I} with Cs Cage Symmetry and Multiple Sites for Erbium along a Band of Ten Contiguous Hexagons","Journal of the American Chemical Society","2002","124","","4172","4173","10.1021/ja0116019","","","0.773","16,039eV","","0.1607","0.1479","","","0.4079","0.4276","","","","","","1.928","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114741","17.0899","0.0003","9.0332","0.0001","15.8559","0.0001","90","","102.86","","90","","2386.38","0.05","296","2","296","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C19 H19 N3 -","- C19 H19 N3 -","- C114 H114 N18 -","6","1.5","","Man-kit Leung; Ashis B. Mandal; Chih-Chieh Wang; Gene-Hsiang Lee; Shie-Ming Peng; Hsing-Ling Cheng; Guor-Rong Her; Ito Chao; Hsiu-Feng Lu; Ying-Chieh Sun; Mei-Ying Shiao; Pi-Tai Chou","Self-Complementarity of Oligo-2-aminopyridines: A New Class of Hydrogen-Bonded Ladders","Journal of the American Chemical Society","2002","124","","4287","4297","10.1021/ja011679p","","","0.71073","MoKα","","0.1497","0.0778","","0.2142","0.1773","","","","1.08","1.258","1.258","","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114742","12.9834","0.0005","5.6602","0.0002","21.9238","0.0007","90","","100.692","0.001","90","","1583.18","0.1","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H19 N3 -","- C19 H19 N3 -","- C76 H76 N12 -","4","2","","Man-kit Leung; Ashis B. Mandal; Chih-Chieh Wang; Gene-Hsiang Lee; Shie-Ming Peng; Hsing-Ling Cheng; Guor-Rong Her; Ito Chao; Hsiu-Feng Lu; Ying-Chieh Sun; Mei-Ying Shiao; Pi-Tai Chou","Self-Complementarity of Oligo-2-aminopyridines: A New Class of Hydrogen-Bonded Ladders","Journal of the American Chemical Society","2002","124","","4287","4297","10.1021/ja011679p","","","0.71073","MoKα","","0.1027","0.0627","","0.127","0.1087","","","","1.109","1.175","1.175","","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114743","14.514","0.003","19.648","0.004","14.718","0.003","90","","99.31","0.02","90","","4141.9","1.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N5 -","- C24 H23 N5 -","- C192 H184 N40 -","8","2","","Man-kit Leung; Ashis B. Mandal; Chih-Chieh Wang; Gene-Hsiang Lee; Shie-Ming Peng; Hsing-Ling Cheng; Guor-Rong Her; Ito Chao; Hsiu-Feng Lu; Ying-Chieh Sun; Mei-Ying Shiao; Pi-Tai Chou","Self-Complementarity of Oligo-2-aminopyridines: A New Class of Hydrogen-Bonded Ladders","Journal of the American Chemical Society","2002","124","","4287","4297","10.1021/ja011679p","","","0.71073","MoKα","","0.1363","0.0623","","0.1984","0.1528","","","","1.02","1.13","1.13","","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114744","18.7395","0.0017","12.1337","0.0015","21.76","0.004","90","","98.389","0.011","90","","4894.8","1.2","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C29 H27 N7 -","- C29 H27 N7 -","- C232 H216 N56 -","8","1","","Man-kit Leung; Ashis B. Mandal; Chih-Chieh Wang; Gene-Hsiang Lee; Shie-Ming Peng; Hsing-Ling Cheng; Guor-Rong Her; Ito Chao; Hsiu-Feng Lu; Ying-Chieh Sun; Mei-Ying Shiao; Pi-Tai Chou","Self-Complementarity of Oligo-2-aminopyridines: A New Class of Hydrogen-Bonded Ladders","Journal of the American Chemical Society","2002","124","","4287","4297","10.1021/ja011679p","","","0.7093","MolybdenumKα","","0.044","0.044","","0.042","0.042","","","","","1.39","1.39","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114745","9.3664","0.0002","12.7287","0.0003","15.7874","0.0004","77.924","0.002","85.989","0.002","86.248","0.002","1833.56","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H27 B Cu F20 N3 -","- C35 H27 B Cu F20 N3 -","- C70 H54 B2 Cu2 F40 N6 -","2","1","","Hong-Chang Liang; Christiana Xin Zhang; Mark J. Henson; Roger D. Sommer; Karen R. Hatwell; Susan Kaderli; Andreas D. Zuberbühler; Arnold L. Rheingold; Edward I. Solomon; Kenneth D. Karlin","Contrasting Copper-Dioxygen Chemistry Arising from Alike Tridentate Alkyltriamine Copper(I) Complexes","Journal of the American Chemical Society","2002","124","","4170","4171","10.1021/ja0125265","","","0.71073","MoKα","","0.114","0.0769","","","0.1815","0.216","","","","","","1.061","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114746","18.1702","0.001","23.3832","0.0013","33.8378","0.0018","90","","90","","90","","14376.9","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H25 B Cu F20 N3 -","- C34 H25 B Cu F20 N3 -","- C544 H400 B16 Cu16 F320 N48 -","16","2","","Hong-Chang Liang; Christiana Xin Zhang; Mark J. Henson; Roger D. Sommer; Karen R. Hatwell; Susan Kaderli; Andreas D. Zuberbühler; Arnold L. Rheingold; Edward I. Solomon; Kenneth D. Karlin","Contrasting Copper-Dioxygen Chemistry Arising from Alike Tridentate Alkyltriamine Copper(I) Complexes","Journal of the American Chemical Society","2002","124","","4170","4171","10.1021/ja0125265","","","0.71073","MoKα","","0.1307","0.0808","","","0.1646","0.1898","","","","","","1.155","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114747","18.599","0.003","18.661","0.003","21.015","0.003","90","","90","","90","","7294","2","173","2","173","2","","","","","","","Laurie Breyfogle","6","P b c a","-P 2ac 2ab","61","01008","","","- C28 H51 Fe N4 O Si4 -","- C28 H51 Fe N4 O Si4 -","- C224 H408 Fe8 N32 O8 Si32 -","8","1","","Brendan J. O'Keefe; Laurie E. Breyfogle; Marc A. Hillmyer; William B. Tolman","Mechanistic Comparison of Cyclic Ester Polymerizations by Novel Iron(III)-Alkoxide Complexes: Single vs Multiple Site Catalysis","Journal of the American Chemical Society","2002","124","","4384","4393","10.1021/ja012689t","","","0.71073","MoKα","","0.1387","0.0717","","","0.1167","0.1344","","","","","","1.04","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114748","19.2","0.003","10.9732","0.0015","21.207","0.003","90","","103.074","0.002","90","","4352.2","1.1","173","2","173","2","","","","","","","Laurie Breyfogle","6","P 1 21/n 1","-P 2yn","14","01121","","","- C39 H57 Fe N4 O Si4 -","- C39 H57 Fe N4 O Si4 -","- C156 H228 Fe4 N16 O4 Si16 -","4","1","","Brendan J. O'Keefe; Laurie E. Breyfogle; Marc A. Hillmyer; William B. Tolman","Mechanistic Comparison of Cyclic Ester Polymerizations by Novel Iron(III)-Alkoxide Complexes: Single vs Multiple Site Catalysis","Journal of the American Chemical Society","2002","124","","4384","4393","10.1021/ja012689t","","","0.71073","MoKα","","0.0384","0.0291","","","0.0767","0.0802","","","","","","1.042","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114749","10.8678","0.001","13.5829","0.0012","13.7118","0.0012","72.642","0.001","78.123","0.002","73.155","0.001","1833.2","0.3","293","2","293","2","","","","","","","Brendan OKeefe","4","P -1","-P 1","2","00201","","","- C46 H41 Fe O3 -","- C46 H41 Fe O3 -","- C92 H82 Fe2 O6 -","2","1","","Brendan J. O'Keefe; Laurie E. Breyfogle; Marc A. Hillmyer; William B. Tolman","Mechanistic Comparison of Cyclic Ester Polymerizations by Novel Iron(III)-Alkoxide Complexes: Single vs Multiple Site Catalysis","Journal of the American Chemical Society","2002","124","","4384","4393","10.1021/ja012689t","","","0.71073","MoKα","","0.0613","0.0521","","","0.1329","0.1392","","","","","","1.063","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114750","11.785","0.005","21.824","0.005","12.937","0.005","90","0.005","115.962","0.005","90","0.005","2991.6","1.9","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H40 Cl4 Pd2 -","- C31 H40 Cl4 Pd2 -","- C124 H160 Cl16 Pd8 -","4","1","","Marta Catellani; Carlo Mealli; Elena Motti; Paola Paoli; Enrique Perez-Carreño; Paul S. Pregosin","Palladium-Arene Interactions in Catalytic Intermediates: An Experimental and Theoretical Investigation of the Soft Rearrangement between η1 and η2 Coordination Modes","Journal of the American Chemical Society","2002","124","","4336","4346","10.1021/ja016587e","","","1.5418","CuKα","","0.0984","0.0746","","","0.1589","0.1701","","","","","","1.135","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114751","20.234","0.007","6.105","0.002","20.553","0.008","90","","109.701","0.007","90","","2390.3","1.5","213","2","213","2","","","","","","","","3","C 1 2 1","C 2y","5","(-)-terpestacin","","","- C25 H38 O4 -","- C25 H38 O4 -","- C100 H152 O16 -","4","1","","Andrew G. Myers; Michael Siu; Feng Ren","Enantioselective Synthesis of (-)-Terpestacin and (-)-Fusaproliferin: Clarification of Optical Rotational Measurements and Absolute Configurational Assignments Establishes a Homochiral Structural Series","Journal of the American Chemical Society","2002","124","","4230","4232","10.1021/ja020072l","","","0.71073","MoKα","","0.0772","0.0612","","","0.1513","0.1611","","","","","","1.014","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114752","13.1703","0.0006","13.312","0.0006","24.3236","0.001","79.445","0.001","76.067","0.001","83.726","0.001","4059.5","0.3","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C112 H190 K4 N12 O24 P2 Pt4 Sn18 -","- C112 H190 K4 N12 O24 P2 Pt4 Sn18 -","- C112 H190 K4 N12 O24 P2 Pt4 Sn18 -","1","0.5","","Banu Kesanli; James Fettinger; Donna R. Gardner; Bryan Eichhorn","The [Sn9Pt2(PPh3)]2- and [Sn9Ni2(CO)]3- Complexes: Two Markedly Different Sn9M2L Transition Metal Zintl Ion Clusters and Their Dynamic Behavior","Journal of the American Chemical Society","2002","124","","4779","4786","10.1021/ja012528p","","","0.71073","MoKα","","0.079","0.0398","","","0.0684","0.0819","","","","","","1.012","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114753","12.4953","0.0016","13.7484","0.0018","24.276","0.003","86.795","0.002","86.925","0.002","83.24","0.002","4130.3","0.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H95 K2 N4 O12 P Pt2 Sn9 -","- C61 H95 K2 N4 O12 P Pt2 Sn9 -","- C122 H190 K4 N8 O24 P2 Pt4 Sn18 -","2","1","","Banu Kesanli; James Fettinger; Donna R. Gardner; Bryan Eichhorn","The [Sn9Pt2(PPh3)]2- and [Sn9Ni2(CO)]3- Complexes: Two Markedly Different Sn9M2L Transition Metal Zintl Ion Clusters and Their Dynamic Behavior","Journal of the American Chemical Society","2002","124","","4779","4786","10.1021/ja012528p","","","0.71073","MoKα","","0.0781","0.0584","","","0.1815","0.1918","","","","","","1.045","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114754","31.197","0.001","23.8741","0.0008","27.9617","0.0009","90","","113.047","0.001","90","","19163.6","1.1","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C528 H988 K24 N64 Ni16 O152 P4 Sn72 -","- C528 H988 K24 N64 Ni16 O152 P4 Sn72 -","- C528 H988 K24 N64 Ni16 O152 P4 Sn72 -","1","0.25","","Banu Kesanli; James Fettinger; Donna R. Gardner; Bryan Eichhorn","The [Sn9Pt2(PPh3)]2- and [Sn9Ni2(CO)]3- Complexes: Two Markedly Different Sn9M2L Transition Metal Zintl Ion Clusters and Their Dynamic Behavior","Journal of the American Chemical Society","2002","124","","4779","4786","10.1021/ja012528p","","","0.71073","MoKα","","0.0849","0.0513","","","0.1403","0.1558","","","","","","1.059","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114755","7.9848","0.0007","11.861","0.0011","14.118","0.0013","80.29","0.02","85.29","0.02","87.07","0.02","1312.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 I8 N4 S2 -","- C8 H12 I8 N4 S2 -","- C16 H24 I16 N8 S4 -","2","1","","M. Carla Aragoni; Massimiliano Arca; Francesco Demartin; Francesco A. Devillanova; Alessandra Garau; Francesco Isaia; Vito Lippolis; Gaetano Verani","Anti-Thyroid Drug Methimazole: X-ray Characterization of Two Novel Ionic Disulfides Obtained from Its Chemical Oxidation by I2","Journal of the American Chemical Society","2002","124","","4538","4539","10.1021/ja012731k","","","0.71073","MoKα","","0.0437","0.0261","","0.0456","0.0445","","","","0.708","0.859","0.859","","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114756","14.278","0.002","13.516","0.002","20.452","0.002","90","","106.06","0.01","90","","3792.8","0.9","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H22 I8 N8 S4 -","- C16 H22 I8 N8 S4 -","- C64 H88 I32 N32 S16 -","4","1","","M. Carla Aragoni; Massimiliano Arca; Francesco Demartin; Francesco A. Devillanova; Alessandra Garau; Francesco Isaia; Vito Lippolis; Gaetano Verani","Anti-Thyroid Drug Methimazole: X-ray Characterization of Two Novel Ionic Disulfides Obtained from Its Chemical Oxidation by I2","Journal of the American Chemical Society","2002","124","","4538","4539","10.1021/ja012731k","","","0.71073","MoKα","","0.0978","0.0463","","0.1229","0.1147","","","","0.927","1.19","1.19","","","","","has coordinates","209504","2020-10-21","18:00:00",""
"4114757","12.6313","0.0002","20.5633","0.0002","7.039","0.0001","90","","90","","90","","1828.32","0.04","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H19 N9 O7 Pt2 -","- C8 H19 N9 O7 Pt2 -","- C32 H76 N36 O28 Pt8 -","4","1","","Seiji Komeda; Martin Lutz; Anthony L. Spek; Yasuyuki Yamanaka; Takaji Sato; Masahiko Chikuma; Jan Reedijk","A Novel Isomerization on Interaction of Antitumor-Active Azole-Bridged Dinuclear Platinum(II) Complexes with 9-Ethylguanine. Platinum(II) Atom Migration from N2 to N3 on 1,2,3-Triazole","Journal of the American Chemical Society","2002","124","","4738","4746","10.1021/ja0168559","","","0.71073","MoKα","","0.0354","0.034","","","0.0921","0.0932","","","","","","1.051","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114758","12.5835","0.0003","16.5181","0.0005","29.7871","0.0008","90","","90","","90","","6191.4","0.3","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H85 Cl4 Co N4 O6 -","- C60 H85 Cl4 Co N4 O6 -","- C240 H340 Cl16 Co4 N16 O24 -","4","1","","Rhiana Bobb; Gamil Alhakimi; Lisa Studnicki; Alan Lough; Jik Chin","Stereoselective Recognition of an Aziridine with a Co(III) Complex: A Potential Transition-State Analogue for Catalytic Epoxidation","Journal of the American Chemical Society","2002","124","","4544","4545","10.1021/ja017418x","","","0.7107","MoKα","","0.0825","0.0591","","","0.1326","0.1469","","","","","","1.057","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114759","14.3448","0.0004","27.295","0.0007","16.2612","0.0005","90","","91.495","0.009","90","","6364.8","0.3","150","1","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55.5 H76 Cl1.5 Co N4 O3 -","- C55.5 H76 Cl1.5 Co N4 O3 -","- C222 H304 Cl6 Co4 N16 O12 -","4","2","","Rhiana Bobb; Gamil Alhakimi; Lisa Studnicki; Alan Lough; Jik Chin","Stereoselective Recognition of an Aziridine with a Co(III) Complex: A Potential Transition-State Analogue for Catalytic Epoxidation","Journal of the American Chemical Society","2002","124","","4544","4545","10.1021/ja017418x","","","0.71073","MoKα","","0.1081","0.0769","","","0.1949","0.2088","","","","","","1.218","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114760","10.2765","0.0006","5.251","0.0003","13.5499","0.0008","90","","98.98","0.001","90","","722.22","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Ba O7 Te3 -","- Ba O7 Te3 -","- Ba4 O28 Te12 -","4","1","","Magnus G. Johnston; William T. A. Harrison","Lone-Pair Self-Containment in Tellurite Tubes: Hydrothermal Syntheses and Structures of BaTe3O7 and BaTe4O9","Journal of the American Chemical Society","2002","124","","4576","4577","10.1021/ja017648b","","","0.71073","MoKα","","0.0371","0.0299","","","0.0687","0.0709","","","","","","0.982","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114761","19.5354","0.001","4.5099","0.0002","23.3021","0.0012","90","","112.961","0.001","90","","1890.32","0.16","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ba O9 Te4 -","- Ba O9 Te4 -","- Ba8 O72 Te32 -","8","1","","Magnus G. Johnston; William T. A. Harrison","Lone-Pair Self-Containment in Tellurite Tubes: Hydrothermal Syntheses and Structures of BaTe3O7 and BaTe4O9","Journal of the American Chemical Society","2002","124","","4576","4577","10.1021/ja017648b","","","0.71073","MoKα","","0.0483","0.039","","","0.0921","0.0954","","","","","","1.014","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114762","8.198","0.003","14.912","0.006","19.402","0.007","104.457","0.008","97.953","0.008","102.998","0.008","2189.8","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H22 Fe4 N0 O14.5 S6 -","- C28.5 H20 Fe4 O14.5 S6 -","- C57 H40 Fe8 O29 S12 -","2","1","","Li-Cheng Song; Hong-Tao Fan; Qing-Mei Hu","The First Example of Macrocycles Containing Butterfly Transition Metal Cluster Cores via Novel Tandem Reactions","Journal of the American Chemical Society","2002","124","","4566","4567","10.1021/ja020151x","","","0.71073","MoKα","","0.2744","0.0737","","","0.1197","0.1665","","","","","","0.862","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114763","12.643","0.004","15.601","0.006","16.768","0.006","82.643","0.006","70.777","0.006","84.743","0.007","3092.9","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H27 Cl2 Fe8 O27.5 S6 -","- C37 H26 Cl2 Fe8 O27.5 S6 -","- C74 H52 Cl4 Fe16 O55 S12 -","2","1","","Li-Cheng Song; Hong-Tao Fan; Qing-Mei Hu","The First Example of Macrocycles Containing Butterfly Transition Metal Cluster Cores via Novel Tandem Reactions","Journal of the American Chemical Society","2002","124","","4566","4567","10.1021/ja020151x","","","0.71073","MoKα","","0.157","0.0688","","","0.147","0.2046","","","","","","0.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114764","6.332","0.002","12.636","0.005","19.532","0.008","81.077","0.007","90","0.007","90","0.008","1543.9","1","213","2","213","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H32 Br Cl N2 O8 -","- C30 H32 Br Cl N2 O8 -","- C60 H64 Br2 Cl2 N4 O16 -","2","2","","Andrew G. Myers; Alexander R. Hurd; Philip C. Hogan","Evidence for Facile Atropisomerism and Simple (Non-Nucleophilic) Biradical-Forming Cycloaromatization within Kedarcidin Chromophore Aglycon","Journal of the American Chemical Society","2002","124","","4583","4585","10.1021/ja020152p","","","0.71073","MoKα","","0.1667","0.1306","","","0.3692","0.3995","","","","","","1.54","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114765","19.4853","0.0007","19.4853","0.0007","19.4853","0.0007","90","","90","","90","","7398.1","0.5","188","2","188","2","","","","","","","","6","F -4 3 m","F -4 2 3","216","","","","- C38 H78 F24 Fe13 N5 O21 -","- C36.72 H60 F24 Fe13 O16 -","- C146.88 H240 F96 Fe52 O64 -","4","0.0416667","","Avi Bino; Michael Ardon; Dongwhan Lee; Bernhard Spingler; Stephen J. Lippard","Synthesis and Structure of [Fe13O4F24(OMe)12]5-: The First Open-Shell Keggin Ion","Journal of the American Chemical Society","2002","124","","4578","4579","10.1021/ja025590a","","","0.71073","MoKα","","0.0352","0.035","","","0.1169","0.1172","","","","","","1.168","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114766","8.4041","0.0006","12.1348","0.0008","26.9259","0.0018","90","","90","","90","","2746","0.3","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H42 Fe2 N2 -","- C31 H42 Fe2 N2 -","- C124 H168 Fe8 N8 -","4","1","","Michael M.-C. Lo; Gregory C. Fu","Cu(I)/Bis(azaferrocene)-Catalyzed Enantioselective Synthesis of β-Lactams via Couplings of Alkynes with Nitrones","Journal of the American Chemical Society","2002","124","","4572","4573","10.1021/ja025833z","","","0.71073","MoKα","","0.03","0.0296","","","0.0792","0.0795","","","","","","1.088","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4114767","8.8016","0.0005","8.8016","0.0005","46.695","0.004","90","","90","","90","","3617.4","0.4","183","2","183","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C21 H16 Br N O -","- C21 H16 Br N O -","- C168 H128 Br8 N8 O8 -","8","1","","Michael M.-C. Lo; Gregory C. Fu","Cu(I)/Bis(azaferrocene)-Catalyzed Enantioselective Synthesis of β-Lactams via Couplings of Alkynes with Nitrones","Journal of the American Chemical Society","2002","124","","4572","4573","10.1021/ja025833z","","","0.71073","MoKα","","0.0417","0.0342","","","0.0718","0.0744","","","","","","1.04","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4114768","8.6099","0.0006","13.3474","0.001","17.2548","0.0013","101.114","0.001","97.188","0.001","90.108","0.001","1929.7","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","4,7,12,15-tetra(bromomethyl)[2.2]paracyclophane","","- C20 H20 Br4 -","- C20 H20 Br4 -","- C80 H80 Br16 -","4","2","","Glenn P. Bartholomew; Guillermo C. Bazan","Synthesis, Characterization, and Spectroscopy of 4,7,12,15-[2.2]Paracyclophane Containing Donor and Acceptor Groups: Impact of Substitution Patterns on Through-Space Charge Transfer","Journal of the American Chemical Society","2002","124","","5183","5196","10.1021/ja0121383","","","0.71073","MoKα","","0.1094","0.0709","","0.1649","0.1561","","","","1.498","1.854","1.854","","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114769","22.4743","0.0014","11.6272","0.0007","31.793","0.002","90","","106.503","0.001","90","","7965.7","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-bis(4'-dihexylaminostyryl)benzene","","- C46 H68 N2 -","- C46 H68 N2 -","- C368 H544 N16 -","8","2","","Glenn P. Bartholomew; Guillermo C. Bazan","Synthesis, Characterization, and Spectroscopy of 4,7,12,15-[2.2]Paracyclophane Containing Donor and Acceptor Groups: Impact of Substitution Patterns on Through-Space Charge Transfer","Journal of the American Chemical Society","2002","124","","5183","5196","10.1021/ja0121383","","","0.71073","MoKα","","0.1147","0.0427","","0.1323","0.1","","","","0.832","1.048","1.048","","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114770","31.858","0.003","16.2284","0.0013","21.78","0.002","90","","131.118","0.001","90","","8483.1","1.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4,7,12,15-tetra(4'-dihexylaminostyryl)[2.2]paracyclophane","","- C96 H140 N4 -","- C96 H140 N4 -","- C384 H560 N16 -","4","0.5","","Glenn P. Bartholomew; Guillermo C. Bazan","Synthesis, Characterization, and Spectroscopy of 4,7,12,15-[2.2]Paracyclophane Containing Donor and Acceptor Groups: Impact of Substitution Patterns on Through-Space Charge Transfer","Journal of the American Chemical Society","2002","124","","5183","5196","10.1021/ja0121383","","","0.71073","MoKα","","0.165","0.1037","","0.2678","0.2375","","","","2.343","3.033","3.033","","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114771","10.201","0.003","12.508","0.004","24.779","0.008","101.804","0.006","97.221","0.006","96.463","0.007","3039","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4,7-bis(4'dihexylaminostyryl)-12,15-di-4''nitrostyryl[2.2]paracyclophane","","- C72 H88 N4 O4 -","- C72 H88 N4 O4 -","- C144 H176 N8 O8 -","2","1","","Glenn P. Bartholomew; Guillermo C. Bazan","Synthesis, Characterization, and Spectroscopy of 4,7,12,15-[2.2]Paracyclophane Containing Donor and Acceptor Groups: Impact of Substitution Patterns on Through-Space Charge Transfer","Journal of the American Chemical Society","2002","124","","5183","5196","10.1021/ja0121383","","","0.71073","MoKα","","0.1934","0.0759","","0.1859","0.1619","","","","1.055","1.654","1.654","","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114772","27.4425","0.0006","13.8076","0.0002","15.2781","0.0004","90","","90","","90","","5789.1","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H32 Cl2 Cr O5 -","- C30 H32 Cl2 Cr O5 -","- C240 H256 Cl16 Cr8 O40 -","8","2","","Susan E. Gibson; Hasim Ibrahim; Jonathan W. Steed","Intermolecular Interactions in (Arene)chromium Carbonyl Compounds: Prediction of Chiral Crystal Packing from Racemate Structure","Journal of the American Chemical Society","2002","124","","5109","5116","10.1021/ja012141m","","","0.71073","MoKα","","0.0908","0.0598","","","0.1031","0.1131","","","","","","1.041","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114773","19.7635","0.0006","19.7635","0.0006","15.172","0.0007","90","","90","","90","","5926.1","0.4","120","2","120","2","","","","","","","","5","P 41","P 4w","76","","","","- C30 H32 Cl2 Cr O5 -","- C30 H32 Cl2 Cr O5 -","- C240 H256 Cl16 Cr8 O40 -","8","2","","Susan E. Gibson; Hasim Ibrahim; Jonathan W. Steed","Intermolecular Interactions in (Arene)chromium Carbonyl Compounds: Prediction of Chiral Crystal Packing from Racemate Structure","Journal of the American Chemical Society","2002","124","","5109","5116","10.1021/ja012141m","","","0.71073","MoKα","","0.1224","0.0663","","","0.1296","0.1495","","","","","","1.018","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114774","8.6518","0.0006","10.0312","0.0008","14.6724","0.0009","90","","97.809","0.004","90","","1261.58","0.15","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H36 O3 -","- C29 H36 O3 -","- C58 H72 O6 -","2","1","","Susan E. Gibson; Hasim Ibrahim; Jonathan W. Steed","Intermolecular Interactions in (Arene)chromium Carbonyl Compounds: Prediction of Chiral Crystal Packing from Racemate Structure","Journal of the American Chemical Society","2002","124","","5109","5116","10.1021/ja012141m","","","0.71073","MoKα","","0.0775","0.068","","","0.1639","0.1721","","","","","","1.059","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114775","10.0416","0.0008","11.4518","0.0008","18.8534","0.0009","90","","90","","90","","2168","0.3","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O2 -","- C26 H28.998 O2 -","- C104 H115.992 O8 -","4","1","","Susan E. Gibson; Hasim Ibrahim; Jonathan W. Steed","Intermolecular Interactions in (Arene)chromium Carbonyl Compounds: Prediction of Chiral Crystal Packing from Racemate Structure","Journal of the American Chemical Society","2002","124","","5109","5116","10.1021/ja012141m","","","0.71073","MoKα","","0.1144","0.068","","","0.1446","0.164","","","","","","1.044","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114776","10.4305","0.0004","18.126","0.0008","30.9046","0.0011","90","","90","","90","","5842.9","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 Cr2 O8 -","- C32 H30 Cr2 O8 -","- C256 H240 Cr16 O64 -","8","2","","Susan E. Gibson; Hasim Ibrahim; Jonathan W. Steed","Intermolecular Interactions in (Arene)chromium Carbonyl Compounds: Prediction of Chiral Crystal Packing from Racemate Structure","Journal of the American Chemical Society","2002","124","","5109","5116","10.1021/ja012141m","","","0.71073","MoKα","","0.0667","0.0494","","","0.119","0.1285","","","","","","1.01","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114777","12.7753","0.0006","13.2878","0.0006","18.6941","0.0008","77.804","0.003","89.098","0.003","89.761","0.002","3101.4","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C32.5 H31 Cl Cr2 O8 -","- C32.5 H31 Cl Cr2 O8 -","- C130 H124 Cl4 Cr8 O32 -","4","2","","Susan E. Gibson; Hasim Ibrahim; Jonathan W. Steed","Intermolecular Interactions in (Arene)chromium Carbonyl Compounds: Prediction of Chiral Crystal Packing from Racemate Structure","Journal of the American Chemical Society","2002","124","","5109","5116","10.1021/ja012141m","","","0.71073","MoKα","","0.1145","0.0773","","","0.1775","0.1975","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114778","8.914","0.002","10.946","0.002","11.207","0.002","86.88","0.03","88.04","0.03","85.24","0.03","1087.6","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H32 Br4 N4 O Zn -","- C15 H32 Br4 N4 O Zn -","- C30 H64 Br8 N8 O2 Zn2 -","2","1","","Johan Springborg; Bente Nielsen; Carl Erik Olsen; Inger Søtofte","Synthesis, Crystal Structure, and H/D Exchange of the Inside Protonated Form of the Cage Imine 4,8,12-Triaza-1-azoniatricyclo[6.6.3.24,12]nonadec-1(15)-ene. A Model for Proton Transfer through an Aliphatic Membrane","Journal of the American Chemical Society","2002","124","","5084","5090","10.1021/ja0127638","","","0.71073","MoKα","","0.0698","0.0482","","0.1208","0.1108","","","","1.05","1.104","1.104","","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114779","12.6439","0.0004","13.4981","0.0004","18.8481","0.0005","90.833","0.001","95.243","0.001","90.721","0.001","3202.67","0.16","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H60 B F24 P2 Rh2 -","- C58 H60 B F30 P2 Rh2 -","- C116 H120 B2 F60 P4 Rh4 -","2","1","","Felicia L. Taw; Heather Mellows; Peter S. White; Frederick J. Hollander; Robert G. Bergman; Maurice Brookhart; D. Michael Heinekey","Synthesis and Investigation of [Cp*(PMe3)Rh(H)(H2)]+ and Its Partially Deuterated and Tritiated Isotopomers: Evidence for a Hydride/Dihydrogen Structure","Journal of the American Chemical Society","2002","124","","5100","5108","10.1021/ja0165990","","","0.71073","MolybdenumKα","","0.089","0.065","","0.135","0.09","","","","","3.99","3.99","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114780","12.1814","0.0002","19.197","0.0004","24.7379","0.0005","90","","100.841","0.001","90","","5681.62","0.19","159.2","","159.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H41 B Cl2 F24 P Rh -","- C49 H41 B Cl4 F39 P Rh -","- C196 H164 B4 Cl16 F156 P4 Rh4 -","4","1","","Felicia L. Taw; Heather Mellows; Peter S. White; Frederick J. Hollander; Robert G. Bergman; Maurice Brookhart; D. Michael Heinekey","Synthesis and Investigation of [Cp*(PMe3)Rh(H)(H2)]+ and Its Partially Deuterated and Tritiated Isotopomers: Evidence for a Hydride/Dihydrogen Structure","Journal of the American Chemical Society","2002","124","","5100","5108","10.1021/ja0165990","","","0.7107","MoKα","","0","0.0412","","0","0.0464","","","","","","","1.622","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114781","8.523","0.004","19.434","0.003","15.469","0.003","90","","91.84","0.02","90","","2560.9","1.4","296.2","","296.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Ir3 Mo O11 -","- C21 H15 Ir3 Mo O11 -","- C84 H60 Ir12 Mo4 O44 -","4","1","","Nigel T. Lucas; Jonathan P. Blitz; Simon Petrie; Robert Stranger; Mark G. Humphrey; Graham A. Heath; Vincent Otieno-Alego","Mixed-Metal Cluster Chemistry. 19. Crystallographic, Spectroscopic, Electrochemical, Spectroelectrochemical, and Theoretical Studies of Systematically Varied Tetrahedral Group 6-Iridium Clusters","Journal of the American Chemical Society","2002","124","","5139","5153","10.1021/ja0173829","","","0.7107","MoKα","","0.0757","0.0436","","0.0541","","0.0513","","","1.901","","","2.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114782","16.332","0.002","16.332","","24.696","0.005","90","","90","","90","","6587.3","1.6","296.2","","296.2","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H30 Ir2 Mo2 O10 -","- C30 H30 Ir2 Mo2 O10 -","- C240 H240 Ir16 Mo16 O80 -","8","1","","Nigel T. Lucas; Jonathan P. Blitz; Simon Petrie; Robert Stranger; Mark G. Humphrey; Graham A. Heath; Vincent Otieno-Alego","Mixed-Metal Cluster Chemistry. 19. Crystallographic, Spectroscopic, Electrochemical, Spectroelectrochemical, and Theoretical Studies of Systematically Varied Tetrahedral Group 6-Iridium Clusters","Journal of the American Chemical Society","2002","124","","5139","5153","10.1021/ja0173829","","","0.7107","MoKα","","0.0494","0.0332","","0.0358","","0.0341","","","1.519","","","1.594","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114783","9.2819","0.0001","9.6886","0.0001","14.9537","0.0002","81.7838","0.0005","72.8327","0.0005","68.1183","0.0008","1191.46","0.02","473.2","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 Ir3 O10 P W -","- C19 H16 Ir3 O10 P W -","- C38 H32 Ir6 O20 P2 W2 -","2","1","","Nigel T. Lucas; Jonathan P. Blitz; Simon Petrie; Robert Stranger; Mark G. Humphrey; Graham A. Heath; Vincent Otieno-Alego","Mixed-Metal Cluster Chemistry. 19. Crystallographic, Spectroscopic, Electrochemical, Spectroelectrochemical, and Theoretical Studies of Systematically Varied Tetrahedral Group 6-Iridium Clusters","Journal of the American Chemical Society","2002","124","","5139","5153","10.1021/ja0173829","","","0.7107","MoKα","","0.0551","0.0481","","0.0595","","0.057","","","1.367","","","1.41","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114784","14.0627","0.0004","13.694","0.0004","16.0505","0.0005","90","","90","","90","","3090.92","0.16","120","","120","","","","","","","","local laboratory","3","P n m a","-P 2ac 2n","62","","","","- C34 H40 O10 -","- C34 H40 O10 -","- C136 H160 O40 -","4","0.5","","Ming He; Rolanda J. Johnson; Jorge O. Escobedo; Patricia A. Beck; Kyu Kwang Kim; Nadia N. St. Luce; Claude J. Davis; Patrick T. Lewis; Frank R. Fronczek; Bruce J. Melancon; Anthony A. Mrse; W. Dale Treleaven; Robert M. Strongin","Chromophore Formation in Resorcinarene Solutions and the Visual Detection of Mono- and Oligosaccharides","Journal of the American Chemical Society","2002","124","","5000","5009","10.1021/ja017713h","","","0.71073","MoKα","","0.09","0.064","","","0.145","0.165","","","","","","1.116","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114785","12.0481","0.0001","13.9921","0.0001","14.2119","0.0002","88.584","0.0004","83.4641","0.0004","84.0046","0.0005","2367.03","0.04","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C48.5 H49 Br Cl I N2 P2 Pt -","- C48.5 H49 Br Cl I N2 P2 Pt -","- C97 H98 Br2 Cl2 I2 N4 P4 Pt2 -","2","1","","Gema Rodríguez; Martin Albrecht; Jeroen Schoenmaker; Alan Ford; Martin Lutz; Anthony L. Spek; Gerard van Koten","Bifunctional Pincer-type Organometallics as Substrates for Organic Transformations and as Novel Building Blocks for Polymetallic Materials","Journal of the American Chemical Society","2002","124","","5127","5138","10.1021/ja0177657","","","0.71073","MoKα","","0.043","0.0339","","","0.0913","0.0955","","","","","","1.042","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4114786","10.7151","0.0013","7.3901","0.0005","21.018","0.003","90","","114.673","0.009","90","","1512.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Br I N2 Pt -","- C12 H18 Br I N2 Pt -","- C48 H72 Br4 I4 N8 Pt4 -","4","1","","Gema Rodríguez; Martin Albrecht; Jeroen Schoenmaker; Alan Ford; Martin Lutz; Anthony L. Spek; Gerard van Koten","Bifunctional Pincer-type Organometallics as Substrates for Organic Transformations and as Novel Building Blocks for Polymetallic Materials","Journal of the American Chemical Society","2002","124","","5127","5138","10.1021/ja0177657","","","0.71073","MoKα","","0.0547","0.0432","","","0.0986","0.1034","","","","","","1.062","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114787","15.4841","0.0001","21.1002","0.0002","21.8256","0.0002","90","","133.623","0.0003","90","","5161.96","0.08","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49.8 H51.6 Cl3.6 I2 N2 P2 Pt -","- C49.8 H51.6 Cl3.6 I2 N2 P2 Pt -","- C199.2 H206.4 Cl14.4 I8 N8 P8 Pt4 -","4","1","","Gema Rodríguez; Martin Albrecht; Jeroen Schoenmaker; Alan Ford; Martin Lutz; Anthony L. Spek; Gerard van Koten","Bifunctional Pincer-type Organometallics as Substrates for Organic Transformations and as Novel Building Blocks for Polymetallic Materials","Journal of the American Chemical Society","2002","124","","5127","5138","10.1021/ja0177657","","","0.71073","MoKα","","0.0439","0.0311","","","0.0728","0.0773","","","","","","1.034","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4114788","23.794","0.003","16.816","0.003","12.502","0.003","90","","90","","90","","5002.3","1.6","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C54 H54 I2 N2 P2 Pt2 -","- C54 H55 I2 N2 P2 Pt2 -","- C216 H220 I8 N8 P8 Pt8 -","4","0.5","","Gema Rodríguez; Martin Albrecht; Jeroen Schoenmaker; Alan Ford; Martin Lutz; Anthony L. Spek; Gerard van Koten","Bifunctional Pincer-type Organometallics as Substrates for Organic Transformations and as Novel Building Blocks for Polymetallic Materials","Journal of the American Chemical Society","2002","124","","5127","5138","10.1021/ja0177657","","","0.71073","MoKα","","0.0419","0.026","","","0.0527","0.0596","","","","","","1.063","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4114789","13.6334","0.0015","14.1668","0.0019","10.1738","0.0008","90","","100.739","0.008","90","","1930.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 I N2 Pt Si -","- C15 H27 I N2 Pt Si -","- C60 H108 I4 N8 Pt4 Si4 -","4","1","","Gema Rodríguez; Martin Albrecht; Jeroen Schoenmaker; Alan Ford; Martin Lutz; Anthony L. Spek; Gerard van Koten","Bifunctional Pincer-type Organometallics as Substrates for Organic Transformations and as Novel Building Blocks for Polymetallic Materials","Journal of the American Chemical Society","2002","124","","5127","5138","10.1021/ja0177657","","","0.71073","MoKα","","0.052","0.0383","","","0.0833","0.0885","","","","","","1.022","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114790","7.2432","0.0004","12.3845","0.0009","21.8269","0.0014","90","","90","","90","","1957.9","0.2","200","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-(1R,2S-[2S,2-bS])-2-[(2-methyl-hexahydro-pyrrolo[1,2-b]isoxazol- 2-ylmethyl)-amino]-1-phenyl-propan-1-ol bis-hydrochloride","","- C17 H30 Cl2 N2 O3 -","- C17 H28 Cl2 N2 O3 -","- C68 H112 Cl8 N8 O12 -","4","1","","Florian Viton; Gérald Bernardinelli; E. Peter Kündig","Iron and Ruthenium Lewis Acid Catalyzed Asymmetric 1,3-Dipolar Cycloaddition Reactions between Nitrones and Enals","Journal of the American Chemical Society","2002","124","","4968","4969","10.1021/ja017814f","","","0.71073","MoKα","","","0.038","","","","0.042","","","","","","1.809","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114791","12.6202","0.0006","13.7596","0.0007","14.0294","0.0007","64.6376","0.0009","64.257","0.0009","66.0549","0.0009","1909.22","0.16","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H48 Cu3 N24 O8 Re2 -","- C96 H48 Cu3 N24 O8 Re2 -","- C96 H48 Cu3 N24 O8 Re2 -","1","0.5","","Anna S. Gardberg; Kaiming Deng; Donald E. Ellis; James A. Ibers","Preparation and Structure of (Cu(pc))~3~(ReO~4~)~2~ and Theoretical Investigation of Cu(pc)(ReO~4~), Cu(pc)(ReO~4~)~2~, and (Cu(pc))~3~(ReO~4~)~2~","Journal of the American Chemical Society","2002","124","","5476","5480","10.1021/ja011829w","","","0.71073","MoKα","","0.0958","0.0526","","","0.1049","0.1201","","","","","","1.005","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114792","12.707","0.0005","12.94","0.0005","15.748","0.0006","81.849","0.0011","87.601","0.0012","63.889","0.0017","2301.05","0.16","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H34 F12 N10 P2 Ru -","- C48 H31 F12 N10 P2 Ru -","- C96 H62 F24 N20 P4 Ru2 -","2","1","","Dalia Gut; Amira Rudi; Jacob Kopilov; Israel Goldberg; Moshe Kol","Pairing of Propellers: Dimerization of Octahedral Ruthenium(II) and Osmium(II) Complexes of Eilatin via π-π Stacking Featuring Heterochiral Recognition","Journal of the American Chemical Society","2002","124","","5449","5456","10.1021/ja012636b","","","0.7107","MoKα","","0.1455","0.0675","","","0.1499","0.1818","","","","","","1.042","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114793","12.645","0.001","13.399","0.001","15.324","0.001","85.671","0.01","79.804","0.01","63.816","0.01","2293.1","0.4","115","","115","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H33 F12 N9 O P2 Ru -","- C50 H28 F12 N9 O0.5 P2 Ru -","- C100 H56 F24 N18 O P4 Ru2 -","2","1","","Dalia Gut; Amira Rudi; Jacob Kopilov; Israel Goldberg; Moshe Kol","Pairing of Propellers: Dimerization of Octahedral Ruthenium(II) and Osmium(II) Complexes of Eilatin via π-π Stacking Featuring Heterochiral Recognition","Journal of the American Chemical Society","2002","124","","5449","5456","10.1021/ja012636b","","","0.7107","MoKα","","0.0636","0.0477","","","0.1169","0.1261","","","","","","1.018","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114794","11.442","0.001","13.447","0.001","16.397","0.001","77.294","0.01","78.438","0.01","81.707","0.01","2397.9","0.3","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H28 F12 N8 Os P2 -","- C44 H28 F12 N8 Os P2 -","- C88 H56 F24 N16 Os2 P4 -","2","1","","Dalia Gut; Amira Rudi; Jacob Kopilov; Israel Goldberg; Moshe Kol","Pairing of Propellers: Dimerization of Octahedral Ruthenium(II) and Osmium(II) Complexes of Eilatin via π-π Stacking Featuring Heterochiral Recognition","Journal of the American Chemical Society","2002","124","","5449","5456","10.1021/ja012636b","","","0.7107","MoKα","","0.0677","0.048","","","0.1106","0.1174","","","","","","1.011","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114795","12.975","0.0003","13.448","0.0002","18.39","0.0005","74.303","0.0017","85.451","0.0013","76.894","0.0017","3008.14","0.12","115","","115","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H52 F12 N10 O P2 Ru -","- C66 H47 F12 N10 O0.5 P2 Ru -","- C132 H94 F24 N20 O P4 Ru2 -","2","1","","Dalia Gut; Amira Rudi; Jacob Kopilov; Israel Goldberg; Moshe Kol","Pairing of Propellers: Dimerization of Octahedral Ruthenium(II) and Osmium(II) Complexes of Eilatin via π-π Stacking Featuring Heterochiral Recognition","Journal of the American Chemical Society","2002","124","","5449","5456","10.1021/ja012636b","","","0.7107","MoKα","","0.0879","0.069","","","0.1893","0.2079","","","","","","1.017","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114796","12.3084","0.0004","12.9874","0.0005","8.2414","0.0003","90","","90.591","0.003","90","","1317.35","0.08","150","","150","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 Cu N6 S2 -","- C8 H14 Cu N6 S2 -","- C32 H56 Cu4 N24 S8 -","4","0.5","","Andrew R. Cowley; Jonathan R. Dilworth; Paul S. Donnelly; Elena Labisbal; Antonio Sousa","An Unusual Dimeric Structure of a Cu(I) Bis(thiosemicarbazone) Complex: Implications for the Mechanism of Hypoxic Selectivity of the Cu(II) Derivatives","Journal of the American Chemical Society","2002","124","","5270","5271","10.1021/ja012668z","","","0.71073","MoKα","","","0.0243","","","","0.0298","","","","","","0.988","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114797","7.3522","0.0001","9.9455","0.0002","10.0514","0.0003","99.1702","0.0008","107.503","0.0008","105.033","0.001","654.09","0.03","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C8 H14 N6 S2 Zn -","- C8 H14 N6 S2 Zn -","- C16 H28 N12 S4 Zn2 -","2","1","","Andrew R. Cowley; Jonathan R. Dilworth; Paul S. Donnelly; Elena Labisbal; Antonio Sousa","An Unusual Dimeric Structure of a Cu(I) Bis(thiosemicarbazone) Complex: Implications for the Mechanism of Hypoxic Selectivity of the Cu(II) Derivatives","Journal of the American Chemical Society","2002","124","","5270","5271","10.1021/ja012668z","","","0.71073","MoKα","","","0.0207","","","","0.0243","","","","","","1.0068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114798","17.9984","0.0003","26.7127","0.0005","11.7729","0.0002","90","","114.064","0.0005","90","","5168.32","0.16","150","","150","","","","","","","","?","8","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 Cu F6 N8 O2 P S2 -","- C14 H30 Cu F6 N8 O2 P S2 -","- C112 H240 Cu8 F48 N64 O16 P8 S16 -","8","1","","Andrew R. Cowley; Jonathan R. Dilworth; Paul S. Donnelly; Elena Labisbal; Antonio Sousa","An Unusual Dimeric Structure of a Cu(I) Bis(thiosemicarbazone) Complex: Implications for the Mechanism of Hypoxic Selectivity of the Cu(II) Derivatives","Journal of the American Chemical Society","2002","124","","5270","5271","10.1021/ja012668z","","","0.71073","MoKα","","","0.0368","","","","0.0423","","","","","","1.0428","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114799","12.349","0.001","14.77","0.001","14.109","0.001","90","","103.62","0.004","90","","2501","0.3","113.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C17 H34 Cl N7 O8.5 P Zn -","- C17 H33 Cl N7 O8.5 P Zn -","- C68 H132 Cl4 N28 O34 P4 Zn4 -","4","1","","Shin Aoki; Kenta Iwaida; Noriko Hanamoto; Motoo Shiro; Eiichi Kimura","Guanidine Is a Zn2±Binding Ligand at Neutral pH in Aqueous Solution","Journal of the American Chemical Society","2002","124","","5256","5257","10.1021/ja020029y","","","0.7107","MoKα","","","0.0765","","","","0.1831","","","","","","1.184","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114800","9.3182","0.0008","14.92","0.001","14.618","0.002","90","","97.934","0.003","90","","2012.9","0.4","113.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H27 Cl2 N7 O8 Zn -","- C11 H27 Cl2 N7 O8 Zn -","- C44 H108 Cl8 N28 O32 Zn4 -","4","1","","Shin Aoki; Kenta Iwaida; Noriko Hanamoto; Motoo Shiro; Eiichi Kimura","Guanidine Is a Zn2±Binding Ligand at Neutral pH in Aqueous Solution","Journal of the American Chemical Society","2002","124","","5256","5257","10.1021/ja020029y","","","0.7107","MoKα","","","0.0294","","","","0.0501","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114801","9.6947","0.0006","12.0858","0.0008","21.2732","0.0014","90","","90","","90","","2492.5","0.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 B F10 Ta -","- C29 H22 B F10 Ta -","- C116 H88 B4 F40 Ta4 -","4","1","","Kevin S. Cook; Warren E. Piers; Robert McDonald","Synthesis and Chemistry of Zwitterionic Tantala-3-boratacyclopentenes: Olefin-like Reactivity of a Borataalkene Ligand","Journal of the American Chemical Society","2002","124","","5411","5418","10.1021/ja025547n","","","0.71073","MoKα","","0.0533","0.0367","","","0.0531","0.0564","","","","","","0.863","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114802","14.9651","0.0007","12.6093","0.0006","16.1443","0.0008","90","","103.1","0.001","90","","2967.1","0.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 B Cl F10 Ta -","- C34 H24 B Cl F10 Ta -","- C136 H96 B4 Cl4 F40 Ta4 -","4","1","","Kevin S. Cook; Warren E. Piers; Robert McDonald","Synthesis and Chemistry of Zwitterionic Tantala-3-boratacyclopentenes: Olefin-like Reactivity of a Borataalkene Ligand","Journal of the American Chemical Society","2002","124","","5411","5418","10.1021/ja025547n","","","0.71073","MoKα","","0.0265","0.023","","","0.0605","0.0623","","","","","","1.052","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114803","12.592","0.0006","11.5277","0.0006","19.4942","0.0009","90","","108.217","0.0011","90","","2687.9","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 B F10 Ta -","- C32 H20 B F10 Ta -","- C128 H80 B4 F40 Ta4 -","4","1","","Kevin S. Cook; Warren E. Piers; Robert McDonald","Synthesis and Chemistry of Zwitterionic Tantala-3-boratacyclopentenes: Olefin-like Reactivity of a Borataalkene Ligand","Journal of the American Chemical Society","2002","124","","5411","5418","10.1021/ja025547n","","","0.71073","MoKα","","0.0481","0.0329","","","0.072","0.0769","","","","","","0.988","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114804","9.719","0.0002","6.765","0.0001","18.174","0.0004","90","","93.314","0.001","90","","1192.92","0.04","100","","100","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cr N2 O5 -","- C10 H8 Cr N2 O5 -","- C40 H32 Cr4 N8 O20 -","4","1","","Maxim Tafipolsky; Wolfgang Scherer; Karl Öfele; Georg Artus; Bjørn Pedersen; Wolfgang A. Herrmann; G. Sean McGrady","Electron Delocalization in Acyclic and N-Heterocyclic Carbenes and Their Complexes: A Combined Experimental and Theoretical Charge-Density Study","Journal of the American Chemical Society","2002","124","","5865","5880","10.1021/ja011761k","","","0.71073","MoKα","","0.038","0.0198","","","0.048","","","","","","","0.8006","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114805","13.244","0.0003","10.551","0.0002","18.117","0.0003","90","","106.538","0.001","90","","2426.89","0.08","173","","173","","","","","","","","see text","5","I 1 a 1","I -2ya","9","","","","- C10 H8 Cr N2 O5 -","- C10 H8 Cr N2 O5 -","- C80 H64 Cr8 N16 O40 -","8","2","","Maxim Tafipolsky; Wolfgang Scherer; Karl Öfele; Georg Artus; Bjørn Pedersen; Wolfgang A. Herrmann; G. Sean McGrady","Electron Delocalization in Acyclic and N-Heterocyclic Carbenes and Their Complexes: A Combined Experimental and Theoretical Charge-Density Study","Journal of the American Chemical Society","2002","124","","5865","5880","10.1021/ja011761k","","","0.71073","MoKα","","0.0252","0.0239","","","0.0561","0.0566","","","","","","1.065","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114806","8.1983","0.0001","12.5454","0.0001","18.9873","0.0001","90","","90","","90","","1952.86","0.03","173","","173","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 Cr N2 O4 -","- C17 H28 Cr N2 O4 -","- C68 H112 Cr4 N8 O16 -","4","1","","Maxim Tafipolsky; Wolfgang Scherer; Karl Öfele; Georg Artus; Bjørn Pedersen; Wolfgang A. Herrmann; G. Sean McGrady","Electron Delocalization in Acyclic and N-Heterocyclic Carbenes and Their Complexes: A Combined Experimental and Theoretical Charge-Density Study","Journal of the American Chemical Society","2002","124","","5865","5880","10.1021/ja011761k","","","0.71073","MoKα","","0.0266","0.024","","","0.0582","0.0595","","","","","","1.04","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114807","9.184","0.002","17.409","0.004","18.815","0.004","90","0.03","90","0.03","90","0.03","3008.2","1.1","140","2","140","2","","","","","","","","4","P b a m","-P 2 2ab","55","[Au(2-py)]3","","","- C15 H12 Au3 N3 -","- C15 H12 Au3 N3 -","- C120 H96 Au24 N24 -","8","1","","Akari Hayashi; Marilyn M. Olmstead; Saeed Attar; Alan L. Balch","Crystal Chemistry of the Gold (I) Trimer, Au3(NC5H4)3: Formation of Hourglass Figures and Self-Association through Aurophilic Attraction","Journal of the American Chemical Society","2002","124","","5791","5795","10.1021/ja012416y","","","0.71073","MoKα","","0.1133","0.0523","","","0.1266","0.1545","","","","","","1.037","","","","has coordinates,has disorder","178919","2020-10-21","18:00:00",""
"4114808","26.327","0.001","17.0084","0.0008","26.99","0.001","90","","121.266","0.002","90","","10330.4","0.8","296.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C120 H94 N8 O7 Zn4 -","- C120 H94 N8 O7 Zn4 -","- C480 H376 N32 O28 Zn16 -","4","0.5","","Hiroyuki Furuta; Tomoya Ishizuka; Atsuhiro Osuka","Flexible Inner and Outer Coordination of Zn(II) N-Confused Porphyrin Complex","Journal of the American Chemical Society","2002","124","","5622","5623","10.1021/ja017016p","","","0.7107","MoKα","","","0.07","","","","0.098","","","","","","0.228","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114809","13.067","0.002","13.443","0.002","14.917","0.002","75.04","0.008","70.377","0.003","66.321","0.005","2237.1","0.6","296.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H37 N6 O2 Zn -","- C54 H37 N6 O2 Zn -","- C108 H74 N12 O4 Zn2 -","2","1","","Hiroyuki Furuta; Tomoya Ishizuka; Atsuhiro Osuka","Flexible Inner and Outer Coordination of Zn(II) N-Confused Porphyrin Complex","Journal of the American Chemical Society","2002","124","","5622","5623","10.1021/ja017016p","","","0.7107","MoKα","","","0.086","","","","0.126","","","","","","0.245","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114810","12.118","0.005","13.945","0.005","15.406","0.005","93.277","0.005","102.539","0.005","97.88","0.005","2507.1","1.6","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H94 B2 O4 P2 Ru -","- C48 H94 B2 O4 P2 Ru -","- C96 H188 B4 O8 P4 Ru2 -","2","1","","Virginia Montiel-Palma; María Lumbierres; Bruno Donnadieu; Sylviane Sabo-Etienne; Bruno Chaudret","σ-Borane and Dihydroborate Complexes of Ruthenium","Journal of the American Chemical Society","2002","124","","5624","5625","10.1021/ja017429q","","","0.71073","MoKα","","0.0744","0.0405","","","0.0769","0.0862","","","","","","0.929","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114811","6.43","0.009","20.827","0.004","11.58","0.002","90","","94.6","0.03","90","","1546","2","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 B2 O5 -","- C12 H24 B2 O5 -","- C48 H96 B8 O20 -","4","1","","Virginia Montiel-Palma; María Lumbierres; Bruno Donnadieu; Sylviane Sabo-Etienne; Bruno Chaudret","σ-Borane and Dihydroborate Complexes of Ruthenium","Journal of the American Chemical Society","2002","124","","5624","5625","10.1021/ja017429q","","","0.71073","MoKα","","0.0934","0.0688","","","0.1916","0.2136","","","","","","1.067","","","","has coordinates,has disorder","178919","2020-10-21","18:00:00",""
"4114812","13.6919","0.0008","30.832","0.0019","15.1279","0.0009","90","","97.35","0.001","90","","6333.7","0.7","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tetrakis(m^2-2,4,6-triisopropylbenzoato-O,O') dirhodium(II,II)","","- C64 H92 O8 Rh2 -","- C64 H92 O8 Rh2 -","- C256 H368 O32 Rh8 -","4","1","","F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo","The First Dirhodium Tetracarboxylate Molecule without Axial Ligation: New Insight into the Electronic Structures of Molecules with Importance in Catalysis and Other Reactions","Journal of the American Chemical Society","2002","124","","5658","5660","10.1021/ja025760j","","","0.71073","MoKα","","0.0789","0.0503","","","0.1034","0.1163","","","","","","1.062","","","","has coordinates,has disorder","178919","2020-10-21","18:00:00",""
"4114813","14.776","0.0012","16.429","0.0014","17.4638","0.0015","65.457","0.001","78.709","0.002","87.445","0.002","3778.5","0.6","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","tetrakis(m^2-2,4,6-triisopropylbenzoato-O,O')dirhodium(II,II), acetone solvate","","- C72.67 H109.44 O10.9 Rh2 -","- C72.672 H109.448 O10.908 Rh2 -","- C145.344 H218.896 O21.816 Rh4 -","2","1","","F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo","The First Dirhodium Tetracarboxylate Molecule without Axial Ligation: New Insight into the Electronic Structures of Molecules with Importance in Catalysis and Other Reactions","Journal of the American Chemical Society","2002","124","","5658","5660","10.1021/ja025760j","","","0.71073","MoKα","","0.0684","0.0519","","","0.1337","0.1472","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114814","6.1315","0.0001","9.2705","0.0001","11.2898","0.0001","79.0812","0.0008","77.3338","0.0009","88.9802","0.001","614.595","0.013","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H14 S2 -","- C16 H14 S2 -","- C32 H28 S4 -","2","1","","Ronny Priefer; Yoon Joo Lee; Fabiola Barrios; Jordan H. Wosnick; Anne-Marie Lebuis; Patrick G. Farrell; David N. Harpp; Aiming Sun; Shaoxiong Wu; James P. Snyder","Dicubyl Disulfide","Journal of the American Chemical Society","2002","124","","5626","5627","10.1021/ja025823y","","","1.54178","CuKα","","0.0681","0.0666","","","0.189","0.1913","","","","","","1.083","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114815","14.0562","0.0014","5.4159","0.0006","18.8953","0.0016","90","0.008","111.635","0.008","90","0.008","1337.1","0.2","293","","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H26 O8 S -","- C32 H26 O8 S -","- C64 H52 O16 S2 -","2","1","","David Crich; Jan Mataka; Lev N. Zakharov; Arnold L. Rheingold; Donald J. Wink","Stereoselective Formation of Glycosyl Sulfoxides and Their Subsequent Equilibration: Ring Inversion of an α-Xylopyranosyl Sulfoxide Dependent on the Configuration at Sulfur","Journal of the American Chemical Society","2002","124","","6028","6036","10.1021/ja0122694","","","0.71073","MoKα","","0.123","0.084","","0.062","0.052","","","","3.547","3.869","3.869","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4114816","7.452","0.004","10.874","0.005","31.285","0.013","90","","90","","90","","2535","2","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 O8 S -","- C29 H26 O8 S -","- C116 H104 O32 S4 -","4","1","","David Crich; Jan Mataka; Lev N. Zakharov; Arnold L. Rheingold; Donald J. Wink","Stereoselective Formation of Glycosyl Sulfoxides and Their Subsequent Equilibration: Ring Inversion of an α-Xylopyranosyl Sulfoxide Dependent on the Configuration at Sulfur","Journal of the American Chemical Society","2002","124","","6028","6036","10.1021/ja0122694","","","0.71073","MoKα","","0.1168","0.0961","","","0.2025","0.2106","","","","","","1.313","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114817","9.4724","0.0013","16.6094","0.0014","18.744","0.002","90","","97.183","0.008","90","","2925.9","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-dimethoxy-2,5-bis(2-pyridyl)benzene","","- C18 H16 N2 O2 -","- C18 H15.633 N2 O2 -","- C144 H125.064 N16 O16 -","8","2","","Andrew P. Monkman; Lars-Olof Pålsson; Roger W. T. Higgins; Changsheng Wang; Martin R. Bryce; Andrei S. Batsanov; Judith A. K. Howard","Protonation and Subsequent Intramolecular Hydrogen Bonding as a Method to Control Chain Structure and Tune Luminescence in Heteroatomic Conjugated Polymers","Journal of the American Chemical Society","2002","124","","6049","6055","10.1021/ja012409+","","","1.54184","CuKα","","0.0655","0.0506","","0.1499","0.128","","","","1.044","1.083","1.083","","","","","has coordinates,has disorder","178919","2020-10-21","18:00:00",""
"4114818","3.8209","0.0005","10.6755","0.0018","10.9854","0.0017","98.934","0.013","94.267","0.013","93.942","0.013","439.96","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1,4-dimethoxy-2,5-bis(2-pyridyl)benzene complex with formic acid","","- C20 H20 N2 O6 -","- C20 H20 N2 O6 -","- C20 H20 N2 O6 -","1","0.5","","Andrew P. Monkman; Lars-Olof Pålsson; Roger W. T. Higgins; Changsheng Wang; Martin R. Bryce; Andrei S. Batsanov; Judith A. K. Howard","Protonation and Subsequent Intramolecular Hydrogen Bonding as a Method to Control Chain Structure and Tune Luminescence in Heteroatomic Conjugated Polymers","Journal of the American Chemical Society","2002","124","","6049","6055","10.1021/ja012409+","","","1.54184","CuKα","","0.0437","0.0363","","","0.0909","0.0964","","","","","","1.027","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114819","8.45","0.0009","7.2674","0.0009","15.6406","0.0013","90","","91.118","0.008","90","","960.3","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,4-dimethoxy-2,5-bis(2-pyridyl)benzene-bis(tetrafluoroboric acid) salt","","- C18 H18 B2 F8 N2 O2 -","- C18 H18 B2 F8 N2 O2 -","- C36 H36 B4 F16 N4 O4 -","2","0.5","","Andrew P. Monkman; Lars-Olof Pålsson; Roger W. T. Higgins; Changsheng Wang; Martin R. Bryce; Andrei S. Batsanov; Judith A. K. Howard","Protonation and Subsequent Intramolecular Hydrogen Bonding as a Method to Control Chain Structure and Tune Luminescence in Heteroatomic Conjugated Polymers","Journal of the American Chemical Society","2002","124","","6049","6055","10.1021/ja012409+","","","1.54184","CuKα","","0.0523","0.0397","","","0.0973","0.1048","","","","","","1.04","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114820","14.657","0.0006","22.001","0.0006","25.009","0.0009","90","","104.178","0.002","90","","7819","0.5","180","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H96 F12 Fe2 N6 O17 P2 -","- C70 H96 F12 Fe2 N6 O17 P2 -","- C280 H384 F48 Fe8 N24 O68 P8 -","4","1","","Masashi Enomoto; Takuzo Aida","Iron Complexes Capped with Dendrimer-Appended Triazacyclononanes as the Novel Spatially Encumbered Models of Non-Heme Iron Proteins","Journal of the American Chemical Society","2002","124","","6099","6108","10.1021/ja012589n","","","0.7107","MoKα","","","0.0484","","","","0.0595","","","","","","2.235","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114821","7.6651","0.0005","13.3047","0.0007","23.7387","0.0012","90","","90","","90","","2420.9","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3'S,5'R)-N6-benzoyl-9-(2'-deoxy-3',5'-ethano-5',6'-methano -D-ribofuranosyl)adenine","","- C24 H31 N5 O6 -","- C24 H31 N5 O6 -","- C96 H124 N20 O24 -","4","1","","Dorte Renneberg; Christian J. Leumann","Watson-Crick Base-Pairing Properties of Tricyclo-DNA","Journal of the American Chemical Society","2002","124","","5993","6002","10.1021/ja025569+","","","0.71073","MoKα","","0.0725","0.0425","","","0.0928","0.1017","","","","","","0.89","","","","has coordinates,has disorder","178919","2020-10-21","18:00:00",""
"4114822","6.2225","0.0004","11.3686","0.0006","35.12","0.002","90","","90","","90","","2484.4","0.3","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3'S,5'R)-N4-Benzoyl-1-{5'-O-[(tert-butyl)dimethylsilyl]-2'-deoxy -3',5'-ethano-5',6'-methano-D-ribofuranosyl}cytidine","","- C25 H33 N3 O5 Si -","- C25 H33 N3 O5 Si -","- C100 H132 N12 O20 Si4 -","4","1","","Dorte Renneberg; Christian J. Leumann","Watson-Crick Base-Pairing Properties of Tricyclo-DNA","Journal of the American Chemical Society","2002","124","","5993","6002","10.1021/ja025569+","","","0.71073","MoKα","","0.0579","0.0441","","","0.0934","0.0997","","","","","","1.042","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114823","17.2784","0.0009","27.2637","0.0015","28.9377","0.0016","113.436","0.001","99.289","0.001","99.656","0.001","11931.4","1.1","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C75.5 H158 As16 K4 N11.5 O24 Pd7 -","- C75.5 H158 As16 K4 N11.5 O24 Pd7 -","- C302 H632 As64 K16 N46 O96 Pd28 -","4","2","","Melanie J. Moses; James Fettinger; Bryan Eichhorn","Charged Molecular Alloys: Synthesis and Characterization of the Binary Anions Pd7As164- and Pd2As144-","Journal of the American Chemical Society","2002","124","","5944","5945","10.1021/ja025627r","","","0.71073","MoKα","","0.118","0.0534","","","0.1294","0.1485","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114824","15.9132","0.001","23.733","0.0014","34.141","0.002","90","","90.817","0.001","90","","12892.7","1.3","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H184 As14 K4 N18 O24 Pd2 -","- C82 H184 As14 K4 N18 O24 Pd2 -","- C328 H736 As56 K16 N72 O96 Pd8 -","4","0.5","","Melanie J. Moses; James Fettinger; Bryan Eichhorn","Charged Molecular Alloys: Synthesis and Characterization of the Binary Anions Pd7As164- and Pd2As144-","Journal of the American Chemical Society","2002","124","","5944","5945","10.1021/ja025627r","","","0.71073","MoKα","","0.0753","0.0431","","","0.1051","0.1147","","","","","","1.051","","","","has coordinates,has disorder","178919","2020-10-21","18:00:00",""
"4114825","9.446","0.003","17.746","0.005","21.634","0.007","90","","90","","90","","3626.5","1.9","85","","85","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2b, [Fc""(CH)3Fc""]+[PF6]-","1,3-bis(2,3,4,5,1',2',3',4'-octamethylferrocen-1-yl)allylium hexafluorophosphate","","- C39 H53 F6 Fe2 P -","- C39 H53 F6 Fe2 P -","- C156 H212 F24 Fe8 P4 -","4","1","","Stephen Barlow; Lawrence M. Henling; Michael W. Day; William P. Schaefer; Jennifer C. Green; Tony Hascall; Seth R. Marder","Metallocene-Terminated Allylium Salts: The Effect of End Group on Localization in Polymethines","Journal of the American Chemical Society","2002","124","","6285","6296","10.1021/ja012472z","","","0.71073","MoKα","","0.034","0.0298","","","0.0587","0.0602","","","","","","1.507","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4114826","16.5037","0.0006","18.7047","0.0003","18.3623","0.0005","90","","111.946","0.002","90","","5257.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3c, [Rc(CH)3Rc]+[BAr'4]-","1,3-bis(ruthenocenyl)allylium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C55 H33 B F24 Ru2 -","- C55 H33 B F24 Ru2 -","- C220 H132 B4 F96 Ru8 -","4","1","","Stephen Barlow; Lawrence M. Henling; Michael W. Day; William P. Schaefer; Jennifer C. Green; Tony Hascall; Seth R. Marder","Metallocene-Terminated Allylium Salts: The Effect of End Group on Localization in Polymethines","Journal of the American Chemical Society","2002","124","","6285","6296","10.1021/ja012472z","","x-ray","0.71073","MoKα","","0.1269","0.0636","","","0.1437","0.1817","","","","","","1.021","","","","has coordinates,has disorder","178919","2020-10-21","18:00:00",""
"4114827","8.702","0.003","20.419","0.004","15.446","0.003","90","","93.24","0.02","90","","2740.2","1.2","85","","85","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4a, [Fc(CH)3Fc""]+[BF4]-","1-ferrocenyl-3-(2,3,4,5,1',2',3'4'-octamethylferrocenyl)allylium tetrafluoroborate","","- C31 H37 B F4 Fe2 -","- C31 H37 B F4 Fe2 -","- C124 H148 B4 F16 Fe8 -","4","1","","Stephen Barlow; Lawrence M. Henling; Michael W. Day; William P. Schaefer; Jennifer C. Green; Tony Hascall; Seth R. Marder","Metallocene-Terminated Allylium Salts: The Effect of End Group on Localization in Polymethines","Journal of the American Chemical Society","2002","124","","6285","6296","10.1021/ja012472z","","","0.7107","MoKα","","0.0594","0.0594","","0.1132","0.1132","","","","2.73","2.73","2.73","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114828","26.411","0.006","14.753","0.003","11.9","0.003","90","","112.92","0.02","90","","4270.7","1.8","84","","84","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","5b, [Rc(CH)3Fc]+[PF6]-","1-(ruthenocenyl)-3-(ferrocenyl)allylium hexafluorophosphate","","- C23 H21 F6 Fe P Ru -","- C23 H21 F6 Fe P Ru -","- C184 H168 F48 Fe8 P8 Ru8 -","8","1","","Stephen Barlow; Lawrence M. Henling; Michael W. Day; William P. Schaefer; Jennifer C. Green; Tony Hascall; Seth R. Marder","Metallocene-Terminated Allylium Salts: The Effect of End Group on Localization in Polymethines","Journal of the American Chemical Society","2002","124","","6285","6296","10.1021/ja012472z","","","0.71073","MoKα","","0.0402","0.0344","","","0.075","0.0757","","","","","","2.322","","","","has coordinates,has disorder","178919","2020-10-21","18:00:00",""
"4114829","6.6894","0.0007","18.0963","0.0018","27.195","0.003","90","","90","","90","","3292","0.6","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H54 N2 O2 -","- C36 H54 N2 O2 -","- C144 H216 N8 O8 -","4","1","","Donald J. Darensbourg; Jason C. Yarbrough","Mechanistic Aspects of the Copolymerization Reaction of Carbon Dioxide and Epoxides, Using a Chiral Salen Chromium Chloride Catalyst","Journal of the American Chemical Society","2002","124","","6335","6342","10.1021/ja012714v","","","0.71073","MoKα","","0.1164","0.0629","","","0.1319","0.155","","","","","","0.828","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114830","12.593","0.003","30.774","0.007","11.704","0.003","90","","110.88","0.005","90","","4237.9","1.8","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C76 H112 Cl10 Cr2 N4 O4 -","- C75.8 H111.4 Cl10 Cr2.008 N4 O4 -","- C151.6 H222.8 Cl20 Cr4.016 N8 O8 -","2","1","","Donald J. Darensbourg; Jason C. Yarbrough","Mechanistic Aspects of the Copolymerization Reaction of Carbon Dioxide and Epoxides, Using a Chiral Salen Chromium Chloride Catalyst","Journal of the American Chemical Society","2002","124","","6335","6342","10.1021/ja012714v","","","0.71073","MoKα","","0.2765","0.1079","","","0.2488","0.3453","","","","","","0.693","","","","has coordinates,has disorder","178919","2020-10-21","18:00:00",""
"4114831","14.3075","0.0003","14.7516","0.0004","16.6486","0.0004","90","","103.422","0.0007","90","","3417.85","0.14","158.1","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H35 Cu D2 F6 N2 O P2 -","- C34 H35 Cu F6 N2 O P2 -","- C136 H140 Cu4 F24 N8 O4 P8 -","4","1","","Masayasu Taki; Shinichi Teramae; Shigenori Nagatomo; Yoshimitsu Tachi; Teizo Kitagawa; Shinobu Itoh; Shunichi Fukuzumi","Fine-Tuning of Copper(I)-Dioxygen Reactivity by 2-(2-Pyridyl)ethylamine Bidentate Ligands","Journal of the American Chemical Society","2002","124","","6367","6377","10.1021/ja026047x","","","0.7107","MoKα","","","0.057","","","","0.087","","","","","","0.925","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114832","22.512","0.002","8.2258","0.0007","14.925","0.001","90","","90","","90","","2763.8","0.4","223.1","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H29 Cu F6 N2 P2 -","- C27 H29 Cu F6 N2 P2 -","- C108 H116 Cu4 F24 N8 P8 -","4","1","","Masayasu Taki; Shinichi Teramae; Shigenori Nagatomo; Yoshimitsu Tachi; Teizo Kitagawa; Shinobu Itoh; Shunichi Fukuzumi","Fine-Tuning of Copper(I)-Dioxygen Reactivity by 2-(2-Pyridyl)ethylamine Bidentate Ligands","Journal of the American Chemical Society","2002","124","","6367","6377","10.1021/ja026047x","","","0.7107","MoKα","","","0.043","","","","0.034","","","","","","0.847","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114833","10.515","0.001","12.2207","0.0008","12.041","0.001","90","","106.414","0.003","90","","1484.2","0.2","296.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Cu2 F6 N4 O8 S2 -","- C20 H30 Cu2 F6 N4 O7 S2 -","- C40 H60 Cu4 F12 N8 O14 S4 -","2","0.5","","Masayasu Taki; Shinichi Teramae; Shigenori Nagatomo; Yoshimitsu Tachi; Teizo Kitagawa; Shinobu Itoh; Shunichi Fukuzumi","Fine-Tuning of Copper(I)-Dioxygen Reactivity by 2-(2-Pyridyl)ethylamine Bidentate Ligands","Journal of the American Chemical Society","2002","124","","6367","6377","10.1021/ja026047x","","","0.7107","MoKα","","","0.045","","","","0.079","","","","","","0.939","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114834","13.654","0.009","13.776","0.008","32.91","0.01","90","","90","","90","","6190","6","294.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H72 I4 Ir4 N8 -","- C51 H64 I4 Ir4 N8 -","- C204 H256 I16 Ir16 N32 -","4","1","","Yoshiaki Tanabe; Shigeki Kuwata; Youichi Ishii","Syntheses and Skeletal Transformations of NCNH- and NCN-Bridged Tetrairidium(III) Cages","Journal of the American Chemical Society","2002","124","","6528","6529","10.1021/ja017436e","","","0.7107","MoKα","","","0.05","","","","0.0499","","","","","","1.373","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114835","11.8609","0.0006","13.632","0.001","17.707","0.001","110.448","0.002","91.827","0.004","115.614","0.002","2361.6","0.3","123.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C47.5 H64 Ir4 N8 -","- C47.5 H60 Ir4 N8 -","- C95 H120 Ir8 N16 -","2","1","","Yoshiaki Tanabe; Shigeki Kuwata; Youichi Ishii","Syntheses and Skeletal Transformations of NCNH- and NCN-Bridged Tetrairidium(III) Cages","Journal of the American Chemical Society","2002","124","","6528","6529","10.1021/ja017436e","","","0.7107","MoKα","","","0.0296","","","","0.0385","","","","","","1.798","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114836","11.967","0.002","11.9674","","15.248","0.005","90","","90","","90","","2183.7","0.8","294.2","","","","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- C44 H60 Ir4 N8 -","- C44 H68 Ir4 N8 -","- C88 H136 Ir8 N16 -","2","0.125","","Yoshiaki Tanabe; Shigeki Kuwata; Youichi Ishii","Syntheses and Skeletal Transformations of NCNH- and NCN-Bridged Tetrairidium(III) Cages","Journal of the American Chemical Society","2002","124","","6528","6529","10.1021/ja017436e","","","0.7107","MoKα","","","0.025","","","","0.032","","","","","","0.979","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114837","10.1282","0.0007","14.4441","0.0008","21.89","0.001","75.375","0.001","81.124","0.001","69.916","0.001","2902.1","0.3","165","","","","","","","","","","Local laboratory","4","P -1","-P 1","2","","","","- C72 H65 N3 O4 -","- C72 H65 N3 O4 -","- C144 H130 N6 O8 -","2","1","","Sigurd Höger; Donald L. Morrison; Volker Enkelmann","Solvent Triggering between Conformational States in Amphiphilic Shape-Persistent Macrocycles","Journal of the American Chemical Society","2002","124","","6734","6736","10.1021/ja017628+","","","1.5418","CuKα","","","0.0618","","","0.0715","","","","","1.0458","1.0458","","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114838","17.6104","0.001","9.2651","0.0005","22.0135","0.001","88.493","0.002","92.791","0.002","82.969","0.002","3558.6","0.3","165","","","","","","","","","","Local laboratory","3","P -1","-P 1","2","","","","- C81 H98 O10 -","- C82.5 H50 O9.667 -","- C165 H100 O19.334 -","2","1","","Sigurd Höger; Donald L. Morrison; Volker Enkelmann","Solvent Triggering between Conformational States in Amphiphilic Shape-Persistent Macrocycles","Journal of the American Chemical Society","2002","124","","6734","6736","10.1021/ja017628+","","","1.5418","CuKα","","","0.0531","","","0.0653","0.0631","","","","","","0.872","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114839","5.683","0.0002","11.138","0.0003","15.2124","0.0006","90","","95.0784","0.0013","90","","959.12","0.06","200","1","200","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","","Juan C. Noveron; Myoung Soo Lah; Rico E. Del Sesto; Atta M. Arif; Joel S. Miller; Peter J. Stang","Engineering the Structure and Magnetic Properties of Crystalline Solids via the Metal-Directed Self-Assembly of a Versatile Molecular Building Unit","Journal of the American Chemical Society","2002","124","","6613","6625","10.1021/ja0200241","","","0.71073","MoKα","","0.0583","0.038","","","0.0878","0.0972","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114840","7.4427","0.0002","8.8081","0.0002","17.2876","0.0005","93.6327","0.0009","90.9294","0.001","94.3935","0.0008","1127.45","0.05","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Ag N5 O5 -","- C24 H20 Ag N5 O5 -","- C48 H40 Ag2 N10 O10 -","2","1","","Juan C. Noveron; Myoung Soo Lah; Rico E. Del Sesto; Atta M. Arif; Joel S. Miller; Peter J. Stang","Engineering the Structure and Magnetic Properties of Crystalline Solids via the Metal-Directed Self-Assembly of a Versatile Molecular Building Unit","Journal of the American Chemical Society","2002","124","","6613","6625","10.1021/ja0200241","","","0.71073","MoKα","","0.0472","0.0323","","","0.0658","0.0707","","","","","","1.046","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114841","17.692","0.0003","10.2177","0.0002","15.1922","0.0003","90","","115.401","0.0012","90","","2480.82","0.08","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 N4 O6 Zn -","- C28 H26 N4 O6 Zn -","- C112 H104 N16 O24 Zn4 -","4","0.5","","Juan C. Noveron; Myoung Soo Lah; Rico E. Del Sesto; Atta M. Arif; Joel S. Miller; Peter J. Stang","Engineering the Structure and Magnetic Properties of Crystalline Solids via the Metal-Directed Self-Assembly of a Versatile Molecular Building Unit","Journal of the American Chemical Society","2002","124","","6613","6625","10.1021/ja0200241","","","0.71073","MoKα","","0.0541","0.0388","","","0.0921","0.099","","","","","","1.025","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114842","8.0203","0.0002","8.7561","0.0003","9.8058","0.0003","76.776","0.002","75.4011","0.0018","83.5565","0.0014","647.63","0.03","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Cu N4 O6 -","- C28 H26 Cu N4 O6 -","- C28 H26 Cu N4 O6 -","1","0.5","","Juan C. Noveron; Myoung Soo Lah; Rico E. Del Sesto; Atta M. Arif; Joel S. Miller; Peter J. Stang","Engineering the Structure and Magnetic Properties of Crystalline Solids via the Metal-Directed Self-Assembly of a Versatile Molecular Building Unit","Journal of the American Chemical Society","2002","124","","6613","6625","10.1021/ja0200241","","","0.71073","MoKα","","0.0804","0.0459","","","0.0861","0.0957","","","","","","1.046","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114843","15.8579","0.0004","5.4924","0.0001","16.0201","0.0005","90","","110.486","0.0011","90","","1307.08","0.06","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Co N4 O8 -","- C28 H30 Co N4 O8 -","- C56 H60 Co2 N8 O16 -","2","0.5","","Juan C. Noveron; Myoung Soo Lah; Rico E. Del Sesto; Atta M. Arif; Joel S. Miller; Peter J. Stang","Engineering the Structure and Magnetic Properties of Crystalline Solids via the Metal-Directed Self-Assembly of a Versatile Molecular Building Unit","Journal of the American Chemical Society","2002","124","","6613","6625","10.1021/ja0200241","","","0.71073","MoKα","","0.047","0.0321","","","0.0753","0.0818","","","","","","1.03","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114844","19.8901","0.0003","12.3626","0.0003","15.0476","0.0003","90","","113.957","0.0015","90","","3381.35","0.12","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 N4 O10 Zn2 -","- C32 H32 N4 O10 Zn2 -","- C128 H128 N16 O40 Zn8 -","4","0.5","","Juan C. Noveron; Myoung Soo Lah; Rico E. Del Sesto; Atta M. Arif; Joel S. Miller; Peter J. Stang","Engineering the Structure and Magnetic Properties of Crystalline Solids via the Metal-Directed Self-Assembly of a Versatile Molecular Building Unit","Journal of the American Chemical Society","2002","124","","6613","6625","10.1021/ja0200241","","","0.71073","MoKα","","0.081","0.0389","","","0.0816","0.0958","","","","","","1.003","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114845","7.4471","0.0002","12.6393","0.0002","14.7616","0.0004","90","","97.8869","0.0014","90","","1376.31","0.06","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Co N6 O10 -","- C26 H28 Co N6 O10 -","- C52 H56 Co2 N12 O20 -","2","0.5","","Juan C. Noveron; Myoung Soo Lah; Rico E. Del Sesto; Atta M. Arif; Joel S. Miller; Peter J. Stang","Engineering the Structure and Magnetic Properties of Crystalline Solids via the Metal-Directed Self-Assembly of a Versatile Molecular Building Unit","Journal of the American Chemical Society","2002","124","","6613","6625","10.1021/ja0200241","","","0.71073","MoKα","","0.0498","0.0337","","","0.0748","0.0819","","","","","","1.042","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114846","7.438","0.0002","12.6144","0.0005","14.7117","0.0005","90","","97.618","0.002","90","","1368.16","0.08","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N6 Ni O10 -","- C26 H28 N6 Ni O10 -","- C52 H56 N12 Ni2 O20 -","2","0.5","","Juan C. Noveron; Myoung Soo Lah; Rico E. Del Sesto; Atta M. Arif; Joel S. Miller; Peter J. Stang","Engineering the Structure and Magnetic Properties of Crystalline Solids via the Metal-Directed Self-Assembly of a Versatile Molecular Building Unit","Journal of the American Chemical Society","2002","124","","6613","6625","10.1021/ja0200241","","","0.71073","MoKα","","0.0571","0.0362","","","0.0778","0.0865","","","","","","1.031","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114847","7.4389","0.0003","12.6873","0.0002","14.7479","0.0005","90","","97.9708","0.0012","90","","1378.45","0.08","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N6 O10 Zn -","- C26 H28 N6 O10 Zn -","- C52 H56 N12 O20 Zn2 -","2","0.5","","Juan C. Noveron; Myoung Soo Lah; Rico E. Del Sesto; Atta M. Arif; Joel S. Miller; Peter J. Stang","Engineering the Structure and Magnetic Properties of Crystalline Solids via the Metal-Directed Self-Assembly of a Versatile Molecular Building Unit","Journal of the American Chemical Society","2002","124","","6613","6625","10.1021/ja0200241","","","0.71073","MoKα","","0.0499","0.0334","","","0.0764","0.0835","","","","","","1.039","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114848","7.4848","0.0002","9.1264","0.0003","10.0961","0.0003","75.442","0.0016","73.0274","0.0014","82.5842","0.0012","637.28","0.03","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Mn N6 O10 -","- C24 H24 Mn N6 O10 -","- C24 H24 Mn N6 O10 -","1","0.5","","Juan C. Noveron; Myoung Soo Lah; Rico E. Del Sesto; Atta M. Arif; Joel S. Miller; Peter J. Stang","Engineering the Structure and Magnetic Properties of Crystalline Solids via the Metal-Directed Self-Assembly of a Versatile Molecular Building Unit","Journal of the American Chemical Society","2002","124","","6613","6625","10.1021/ja0200241","","","0.71073","MoKα","","0.0446","0.0329","","","0.0761","0.0815","","","","","","1.033","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114849","7.4425","0.0003","12.6362","0.0005","14.7425","0.0008","90","","97.8068","0.0017","90","","1373.61","0.11","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Co0.5 N6 Ni0.5 O10 -","- C26 H28 Co0.484 N6 Ni0.484 O10 -","- C52 H56 Co0.968 N12 Ni0.968 O20 -","2","0.5","","Juan C. Noveron; Myoung Soo Lah; Rico E. Del Sesto; Atta M. Arif; Joel S. Miller; Peter J. Stang","Engineering the Structure and Magnetic Properties of Crystalline Solids via the Metal-Directed Self-Assembly of a Versatile Molecular Building Unit","Journal of the American Chemical Society","2002","124","","6613","6625","10.1021/ja0200241","","","0.71073","MoKα","","0.1046","0.0481","","","0.0789","0.0918","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114850","17.1447","0.0015","4.553","0.0005","19.4408","0.0015","90","","103.212","0.005","90","","1477.4","0.2","295","1","295","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- B12 Co2 Na2 O21 -","- B12 Co2 Na2 O21 -","- B48 Co8 Na8 O84 -","4","0.5","","Jesse L. C. Rowsell; Nicholas J. Taylor; Linda F. Nazar","Structure and Ion Exchange Properties of a New Cobalt Borate with a Tunnel Structure ""Templated"" by Na+","Journal of the American Chemical Society","2002","124","","6522","6523","10.1021/ja020106p","","","0.71073","MoKα","","0.0399","0.0265","","","0.0503","0.0515","","","","","","1.223","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114851","17.4296","0.0007","4.5518","0.0002","19.5893","0.0008","90","","103.91","0.001","90","","1508.56","0.11","295","1","295","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- B12 Co2 H4 Li2 O23 -","- B12 Co2 Li2 O23 -","- B48 Co8 Li8 O92 -","4","0.5","","Jesse L. C. Rowsell; Nicholas J. Taylor; Linda F. Nazar","Structure and Ion Exchange Properties of a New Cobalt Borate with a Tunnel Structure ""Templated"" by Na+","Journal of the American Chemical Society","2002","124","","6522","6523","10.1021/ja020106p","","","0.71073","MoKα","","0.049","0.042","","","0.0887","0.09","","","","","","1.904","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114852","13.532","0.0016","5.6217","0.0008","21.626","0.003","90","","95.168","0.009","90","","1638.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Ag F5 N -","- C19 H11 Ag F5 N -","- C76 H44 Ag4 F20 N4 -","4","1","","Antonio Codina; Eduardo J. Fernández; Peter G. Jones; Antonio Laguna; José M. López-de-Luzuriaga; Miguel Monge; M. Elena Olmos; Javier Pérez; Miguel A. Rodríguez","Do Aurophilic Interactions Compete against Hydrogen Bonds? Experimental Evidence and Rationalization Based on ab Initio Calculations","Journal of the American Chemical Society","2002","124","","6781","6786","10.1021/ja025765g","","","0.71073","MoKα","","0.0233","0.0187","","","0.0464","0.0476","","","","","","1.032","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114853","13.678","0.0004","7.6814","0.0003","17.4676","0.0005","90","","109.807","0.0019","90","","1726.68","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Au F5 N -","- C19 H11 Au F5 N -","- C76 H44 Au4 F20 N4 -","4","1","","Antonio Codina; Eduardo J. Fernández; Peter G. Jones; Antonio Laguna; José M. López-de-Luzuriaga; Miguel Monge; M. Elena Olmos; Javier Pérez; Miguel A. Rodríguez","Do Aurophilic Interactions Compete against Hydrogen Bonds? Experimental Evidence and Rationalization Based on ab Initio Calculations","Journal of the American Chemical Society","2002","124","","6781","6786","10.1021/ja025765g","","","0.7107","MoKα","","0.0487","0.0339","","","0.08","0.0865","","","","","","1.084","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114854","22.543","0.005","6.776","0.0014","28.608","0.006","90","","90","","90","","4369.9","1.6","301","2","301","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C20 H12 F3 N3 O3 Pt S -","- C20 H12 F3 N3 O3 Pt S -","- C160 H96 F24 N24 O24 Pt8 S8 -","8","1","","Vivian Wing-Wah Yam; Keith Man-Chung Wong; Nianyong Zhu","Solvent-Induced Aggregation through Metal...Metal/π...π Interactions: Large Solvatochromism of Luminescent Organoplatinum(II) Terpyridyl Complexes","Journal of the American Chemical Society","2002","124","","6506","6507","10.1021/ja025811c","","","0.71073","MoKα","","0.1239","0.0596","","","0.1805","0.2144","","","","","","0.948","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114855","19.847","0.004","14.801","0.003","6.867","0.0014","90","","94.35","0.03","90","","2011.4","0.7","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C20 H12 F3 N3 O3 Pt S -","- C20 H12 F3 N3 O3 Pt S -","- C80 H48 F12 N12 O12 Pt4 S4 -","4","1","","Vivian Wing-Wah Yam; Keith Man-Chung Wong; Nianyong Zhu","Solvent-Induced Aggregation through Metal...Metal/π...π Interactions: Large Solvatochromism of Luminescent Organoplatinum(II) Terpyridyl Complexes","Journal of the American Chemical Society","2002","124","","6506","6507","10.1021/ja025811c","","","0.71073","MoKα","","0.1067","0.0896","","","0.2463","0.2597","","","","","","1.07","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114856","10.04","0.002","14.759","0.003","15.488","0.003","72.86","0.03","75.94","0.03","72.7","0.03","2063.3","0.8","301","2","301","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H48 F3 N3 O5 Pt S -","- C38 H48 F3 N3 O5 Pt S -","- C76 H96 F6 N6 O10 Pt2 S2 -","2","1","","Vivian Wing-Wah Yam; Keith Man-Chung Wong; Nianyong Zhu","Solvent-Induced Aggregation through Metal...Metal/π...π Interactions: Large Solvatochromism of Luminescent Organoplatinum(II) Terpyridyl Complexes","Journal of the American Chemical Society","2002","124","","6506","6507","10.1021/ja025811c","","","0.71073","MoKα","","0.0609","0.0507","","","0.132","0.1432","","","","","","1.041","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114857","15.722","0.001","27.7418","0.0008","30.0706","0.0007","90","","90","","90","","13115.5","1","150.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C144 H166 B2 N4 O2 P4 Ru2 -","- C142 H122 B2 N4 O2 P4 Ru2 -","- C568 H488 B8 N16 O8 P16 Ru8 -","4","1","","Takeshi Ohkuma; Masatoshi Koizumi; Kilian Muñiz; Gerhard Hilt; Chizuko Kabuto; Ryoji Noyori","trans-RuH(η1-BH4)(binap)(1,2-diamine): A Catalyst for Asymmetric Hydrogenation of Simple Ketones under Base-Free Conditions","Journal of the American Chemical Society","2002","124","","6508","6509","10.1021/ja026136+","","","0.7107","MoKα","","","0.0483","","","","0.0559","","","","","","0.819","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114858","7.2867","0.0002","12.3688","0.0004","19.2042","0.0005","90","","90","","90","","1730.83","0.09","122.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 S -","- C19 H23 N O2 S -","- C76 H92 N4 O8 S4 -","4","1","","Takuya Kochi; Tony P. Tang; Jonathan A. Ellman","Asymmetric Synthesis of syn- and anti-1,3-Amino Alcohols","Journal of the American Chemical Society","2002","124","","6518","6519","10.1021/ja026292g","","","0.7107","MoKα","","","0.0319","","","","0.0373","","","","","","1.3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114859","5.8532","0.0008","11.64","0.002","26.638","0.003","90","","90","","90","","1814.9","0.4","133.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N O3 S -","- C19 H25 N O2 S -","- C76 H100 N4 O8 S4 -","4","1","","Takuya Kochi; Tony P. Tang; Jonathan A. Ellman","Asymmetric Synthesis of syn- and anti-1,3-Amino Alcohols","Journal of the American Chemical Society","2002","124","","6518","6519","10.1021/ja026292g","","","0.7107","MoKα","","","0.0504","","","","0.0469","","","","","","1.173","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114860","9.8881","0.0002","10.8511","0.0002","12.9294","0.0003","108.128","0.0007","90.8731","0.0007","103.525","0.0011","1276.03","0.05","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H33 F2 N O2 S Si -","- C23 H33 F2 N O2 S Si -","- C46 H66 F4 N2 O4 S2 Si2 -","2","1","","Qilong Shen; Gerald B. Hammond","Regiospecific Synthesis of Bicyclo- and Heterobicyclo-gem-difluorocyclobutenes Using Functionalized Fluoroallenes and a Novel Mo-Catalyzed Intramolecular [2 + 2] Cycloaddition Reaction","Journal of the American Chemical Society","2002","124","","6534","6535","10.1021/ja0263893","","","0.71073","MoKα","","0.0841","0.0512","","","0.1236","0.1417","","","","","","1.026","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114861","9.2413","0.0001","11.398","0.0001","14.1375","0.0002","98.7602","0.0005","108.931","0.0006","105.847","0.0006","1306.7","0.03","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H35 F2 N O2 S Si -","- C24 H35 F2 N O2 S Si -","- C48 H70 F4 N2 O4 S2 Si2 -","2","1","","Qilong Shen; Gerald B. Hammond","Regiospecific Synthesis of Bicyclo- and Heterobicyclo-gem-difluorocyclobutenes Using Functionalized Fluoroallenes and a Novel Mo-Catalyzed Intramolecular [2 + 2] Cycloaddition Reaction","Journal of the American Chemical Society","2002","124","","6534","6535","10.1021/ja0263893","","","0.71073","MoKα","","0.0581","0.0493","","","0.1344","0.1429","","","","","","1.05","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114862","8.0586","0.0001","16.9207","0.0003","17.8474","0.0003","90","","90","","90","","2433.62","0.07","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 F2 N O2 S Si -","- C23 H33 F2 N O2 S Si -","- C92 H132 F8 N4 O8 S4 Si4 -","4","1","","Qilong Shen; Gerald B. Hammond","Regiospecific Synthesis of Bicyclo- and Heterobicyclo-gem-difluorocyclobutenes Using Functionalized Fluoroallenes and a Novel Mo-Catalyzed Intramolecular [2 + 2] Cycloaddition Reaction","Journal of the American Chemical Society","2002","124","","6534","6535","10.1021/ja0263893","","","0.71073","MoKα","","0.0499","0.0379","","","0.0835","0.0893","","","","","","1.026","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114863","8.276","0.0001","17.1805","0.0003","18.292","0.0003","90","","90","","90","","2600.86","0.07","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H35 F2 N O2 S Si -","- C24 H35 F2 N O2 S Si -","- C96 H140 F8 N4 O8 S4 Si4 -","4","1","","Qilong Shen; Gerald B. Hammond","Regiospecific Synthesis of Bicyclo- and Heterobicyclo-gem-difluorocyclobutenes Using Functionalized Fluoroallenes and a Novel Mo-Catalyzed Intramolecular [2 + 2] Cycloaddition Reaction","Journal of the American Chemical Society","2002","124","","6534","6535","10.1021/ja0263893","","","0.71073","MoKα","","0.0534","0.0435","","","0.1099","0.118","","","","","","1.056","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114864","8.168","0.0001","28.4033","0.0005","11.9889","0.0002","90","","99.5929","0.0007","90","","2742.51","0.07","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 F2 N O2 S Si -","- C26 H39 F2 N O2 S Si -","- C104 H156 F8 N4 O8 S4 Si4 -","4","1","","Qilong Shen; Gerald B. Hammond","Regiospecific Synthesis of Bicyclo- and Heterobicyclo-gem-difluorocyclobutenes Using Functionalized Fluoroallenes and a Novel Mo-Catalyzed Intramolecular [2 + 2] Cycloaddition Reaction","Journal of the American Chemical Society","2002","124","","6534","6535","10.1021/ja0263893","","","0.71073","MoKα","","0.0616","0.0436","","","0.1098","0.1199","","","","","","1.022","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114865","16.305","0.003","17.315","0.004","18.344","0.004","90","","90","","90","","5178.9","1.9","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C29 H36 P Rh -","- C29 H36 P Rh -","- C232 H288 P8 Rh8 -","8","1","","Helmut Werner; Ralf Wiedemann; Matthias Laubender; Bettina Windmüller; Paul Steinert; Olaf Gevert; Justin Wolf","Unusual Pathways for Metal-Assisted C-C and C-P Coupling Reactions Using Allenylidenerhodium Complexes as Precursors","Journal of the American Chemical Society","2002","124","","6966","6980","10.1021/ja012479g","","","0.71073","MoKα","","0.1597","0.0523","","","0.117","0.1483","","","","","","0.986","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114866","9.463","0.004","11.369","0.005","17.936","0.009","92","0.03","97.9","0.02","108.25","0.02","1808.9","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33.5 H52 Cl4 P2 Rh -","- C33.5 H52 Cl4 P2 Rh -","- C67 H104 Cl8 P4 Rh2 -","2","1","","Helmut Werner; Ralf Wiedemann; Matthias Laubender; Bettina Windmüller; Paul Steinert; Olaf Gevert; Justin Wolf","Unusual Pathways for Metal-Assisted C-C and C-P Coupling Reactions Using Allenylidenerhodium Complexes as Precursors","Journal of the American Chemical Society","2002","124","","6966","6980","10.1021/ja012479g","","","0.7093","","","0.0481","0.0317","","0.0858","0.0791","","","","1.057","1.068","1.068","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114867","9.4521","0.0002","12.6281","0.0002","17.1232","0.0004","107.122","0.0011","94.5036","0.001","95.8229","0.0008","1930.53","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 N O3 P -","- C42 H54 N O3 P -","- C84 H108 N2 O6 P2 -","2","1","","Natalya V. Timosheva; A. Chandrasekaran; Roberta O. Day; Robert R. Holmes","Conversion of Tricoordinate to Hexacoordinate Phosphorus. Formation of a Phosphorane-Phosphatrane System1","Journal of the American Chemical Society","2002","124","","7035","7040","10.1021/ja012579m","","","0.71073","MoKα","","0.0705","0.0474","","","0.1092","0.1229","","","","","","1.02","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114868","13.4625","0.0002","22.5793","0.0004","13.7246","0.0003","90","","106.137","0.0008","90","","4007.54","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H64 N O4 P -","- C42 H64 N O4 P -","- C168 H256 N4 O16 P4 -","4","1","","Natalya V. Timosheva; A. Chandrasekaran; Roberta O. Day; Robert R. Holmes","Conversion of Tricoordinate to Hexacoordinate Phosphorus. Formation of a Phosphorane-Phosphatrane System1","Journal of the American Chemical Society","2002","124","","7035","7040","10.1021/ja012579m","","","0.71073","MoKα","","0.0798","0.0553","","","0.1323","0.145","","","","","","1.055","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114869","11.3043","0.0001","14.7072","0.0002","19.1561","0.0003","90","","105.111","0.0005","90","","3074.67","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 N O5 P -","- C33 H40 N O5 P -","- C132 H160 N4 O20 P4 -","4","1","","Natalya V. Timosheva; A. Chandrasekaran; Roberta O. Day; Robert R. Holmes","Conversion of Tricoordinate to Hexacoordinate Phosphorus. Formation of a Phosphorane-Phosphatrane System1","Journal of the American Chemical Society","2002","124","","7035","7040","10.1021/ja012579m","","","0.71073","MoKα","","0.0704","0.0529","","","0.1417","0.157","","","","","","1.025","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114870","16.68","0.003","11.185","0.002","18.324","0.004","90","","110.38","0.03","90","","3204.6","1.2","175","2","175","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C12 H4 Ag Al F24 O4 P4 S3 -","- C12 H4 Ag Al F24 O4 P4 S3 -","- C48 H16 Ag4 Al4 F96 O16 P16 S12 -","4","1","","Ariane Adolf; Marcin Gonsior; Ingo Krossing","Extending the Coordination Chemistry of Molecular P4S3: The Polymeric Ag(P4S3)+ and Ag(P4S3)2+ Cations","Journal of the American Chemical Society","2002","124","","7111","7116","10.1021/ja012760v","","","0.71073","MoKα","","0.064","0.0504","","","0.1363","0.1444","","","","","","1.033","","","","has coordinates,has disorder","178919","2020-10-21","18:00:00",""
"4114871","16.3639","0.0014","10.9494","0.0005","26.47","0.002","90","","94.578","0.01","90","","4727.6","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 Ag Al F36 O4 P8 S8 -","- C17 Ag Al F36 O4 P8 S8 -","- C68 Ag4 Al4 F144 O16 P32 S32 -","4","1","","Ariane Adolf; Marcin Gonsior; Ingo Krossing","Extending the Coordination Chemistry of Molecular P4S3: The Polymeric Ag(P4S3)+ and Ag(P4S3)2+ Cations","Journal of the American Chemical Society","2002","124","","7111","7116","10.1021/ja012760v","","","0.71073","MoKα","","0.0518","0.0435","","","0.113","0.1175","","","","","","1.058","","","","has coordinates,has disorder","178919","2020-10-21","18:00:00",""
"4114872","23.508","0.003","12.133","0.0014","31.393","0.004","90","","109.602","0.002","90","","8435.1","1.8","168","2","168","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(Sn3(THME)2)5 * (hexane)solvent","","","- C56 H100 O30 Sn15 -","- C28 H50 O15 Sn7.5 -","- C224 H400 O120 Sn60 -","8","1","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0573","0.0349","","","0.0727","0.0784","","","","","","0.907","","","","has coordinates,has disorder","178919","2020-10-21","18:00:00",""
"4114873","21.4033","0.0014","24.3825","0.0015","24.4347","0.0015","90","","90","","90","","12751.6","1.4","168","2","168","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Sn3(THME)2","","","- C10 H18 O6 Sn3 -","- C10 H18 O6 Sn3 -","- C320 H576 O192 Sn96 -","32","8","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0695","0.0433","","","0.0752","0.0801","","","","","","1.274","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114874","12.3788","0.0019","22.642","0.003","25.337","0.004","90","","90","","90","","7101.5","1.8","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[Sn(THME)2]2 . (THF)solvent","","","- C12 H22 O6.5 Sn3 -","- C10 H18 O6 Sn3 -","- C160 H288 O96 Sn48 -","16","2","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0306","0.0205","","","0.0438","0.0466","","","","","","1.036","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114875","22.278","0.004","10.0634","0.0016","23.648","0.004","90","","90","","90","","5301.7","1.6","168","2","168","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[Sn(THME)2]3 * (Py)solvent","","","- C35 H59 N O18 Sn9 -","- C30 H57 O18 Sn9 -","- C120 H228 O72 Sn36 -","4","0.5","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0322","0.0234","","","0.0538","0.057","","","","","","1.103","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114876","30.379","0.004","10.4956","0.0015","12.414","0.0018","90","","113.638","0.002","90","","3626.1","0.9","168","2","168","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[Sn3(THME)2]2 * (Diox)slovent","","","- C24 H44 O14 Sn6 -","- C20 H36 O12 Sn6 -","- C80 H144 O48 Sn24 -","4","0.5","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0207","0.0178","","","0.0434","0.0443","","","","","","1.041","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114877","6.834","0.003","17.68","0.007","15.981","0.006","90","","101.05","0.005","90","","1895.1","1.3","168","2","168","2","","","","","","","","6","P 1 21 1","P 2yb","4","Sn4(THME)2[N(Si2)(CH3)6]2","","","- C22 H54 N2 O6 Si4 Sn4 -","- C22 H54 N2 O6 Si4 Sn4 -","- C44 H108 N4 O12 Si8 Sn8 -","2","1","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0454","0.0413","","","0.0975","0.1016","","","","","","1.032","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114878","14.226","0.003","9.178","0.0018","15.553","0.003","90","","95.867","0.003","90","","2020.1","0.7","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sn(THME)2(OMe)2","","","- C12 H24 O8 Sn4 -","- C12 H24 O8 Sn4 -","- C48 H96 O32 Sn16 -","4","1","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0298","0.0232","","","0.0533","0.0554","","","","","","0.999","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114879","8.845","0.003","10.63","0.003","12.957","0.004","98.746","0.005","101.834","0.005","106.563","0.005","1113.7","0.6","168","2","168","2","","","","","","","","4","P -1","-P 1","2","Sn4(THME)2(OEt)2","","","- C14 H28 O8 Sn4 -","- C14 H28 O8 Sn4 -","- C28 H56 O16 Sn8 -","2","1","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0398","0.0336","","","0.0849","0.0949","","","","","","0.519","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114880","15.051","0.002","12.1069","0.0018","15.607","0.002","90","","92.027","0.003","90","","2842.1","0.7","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sn4(THME)2[OBu(OMe)]2","","","- C20 H40 O8 Sn4 -","- C20 H40 O8 Sn4 -","- C80 H160 O32 Sn16 -","4","1","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0312","0.0267","","","0.0606","0.0625","","","","","","1.052","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114881","11.0984","0.0016","11.9361","0.0017","12.1199","0.0017","109.963","0.002","100.248","0.002","99.461","0.002","1440.3","0.4","168","2","168","2","","","","","","","","4","P -1","-P 1","2","[Sn2(THME)2(ONep)2]2","","","- C20 H40 O8 Sn4 -","- C20 H40 O8 Sn4 -","- C40 H80 O16 Sn8 -","2","1","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0437","0.0319","","","0.0812","0.0886","","","","","","1.04","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114882","22.209","0.006","8.843","0.002","29.053","0.008","90","","90","","90","","5706","3","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Sn4(THME)2(mMP)2","","","- C24 H32 O8 Sn4 -","- C24 H32 O8 Sn4 -","- C192 H256 O64 Sn32 -","8","1","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0477","0.0316","","","0.0666","0.0706","","","","","","0.983","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114883","20.967","0.004","8.9897","0.0015","29.726","0.005","90","","90","","90","","5603","1.7","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Sn4(THME)2(OMP)2","","","- C24 H32 O8 Sn4 -","- C24 H32 O8 Sn4 -","- C192 H256 O64 Sn32 -","8","1","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0576","0.0356","","","0.0653","0.0699","","","","","","1.028","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114884","19.446","0.0014","8.3861","0.0006","18.4826","0.0013","90","","92.69","0.001","90","","3010.7","0.4","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sn4(THME)2(DMP)2'","","","- C26 H36 O8 Sn4 -","- C26 H36 O8 Sn4 -","- C104 H144 O32 Sn16 -","4","1","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0681","0.0331","","","0.0576","0.0647","","","","","","0.89","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114885","16.066","0.004","17.328","0.004","28.081","0.006","90","","90","","90","","7818","3","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Sn4(THME)2(DIP)2","","","- C34 H52 O8 Sn4 -","- C34 H52 O8 Sn4 -","- C272 H416 O64 Sn32 -","8","1","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0909","0.0384","","","0.0593","0.0683","","","","","","0.825","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114886","17.174","0.01","18.681","0.011","13.09","0.007","90","","106.92","0.01","90","","4018","4","168","2","168","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sn3Ti(THME)2(ONep)4","","","- C30 H62 O10 Sn3 Ti -","- C30 H62 O10 Sn3 Ti -","- C120 H248 O40 Sn12 Ti4 -","4","1","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.202","0.0765","","","0.1423","0.1758","","","","","","0.858","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114887","6.7055","0.0003","8.2104","0.0003","13.4884","0.0006","90","","101.287","0.002","90","","728.24","0.05","100","","100","","","","","","","","see paper","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O4 -","- C15 H24 O4 -","- C30 H48 O8 -","2","1","","Alois Fürstner; Karin Radkowski; Conny Wirtz; Richard Goddard; Christian W. Lehmann; Richard Mynott","Total Syntheses of the Phytotoxic Lactones Herbarumin I and II and a Synthesis-Based Solution of the Pinolidoxin Puzzle","Journal of the American Chemical Society","2002","124","","7061","7069","10.1021/ja020238i","","","0.71073","MoKα","","0.11","0.0725","","","0.1666","0.1901","","","","","","1.024","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114888","9.4709","0.0006","9.4709","0.0006","33.6977","0.0016","90","","90","","90","","3022.6","0.3","100","","100","","","","","","","","see paper","4","P 41 21 2","P 4abw 2nw","92","Herbarumin II","2,7,8-trihydroxy-5-dodecen-9-olide","","- C12.5 H20.5 Cl1.5 O5 -","- C12.52 H13 Cl1.5 O5 -","- C100.16 H104 Cl12 O40 -","8","1","","Alois Fürstner; Karin Radkowski; Conny Wirtz; Richard Goddard; Christian W. Lehmann; Richard Mynott","Total Syntheses of the Phytotoxic Lactones Herbarumin I and II and a Synthesis-Based Solution of the Pinolidoxin Puzzle","Journal of the American Chemical Society","2002","124","","7061","7069","10.1021/ja020238i","","","0.71073","MoKα","","0.119","0.0888","","","0.1996","0.2176","","","","","","1.078","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114889","14.7888","0.0007","18.5968","0.001","6.7764","0.0003","90","","90","","90","","1863.68","0.16","100","","100","","","","","","","","see paper","3","P 21 21 2","P 2 2ab","18","","","","- C18 H27 O6.5 -","- C18 H27 O6.5 -","- C72 H108 O26 -","4","1","","Alois Fürstner; Karin Radkowski; Conny Wirtz; Richard Goddard; Christian W. Lehmann; Richard Mynott","Total Syntheses of the Phytotoxic Lactones Herbarumin I and II and a Synthesis-Based Solution of the Pinolidoxin Puzzle","Journal of the American Chemical Society","2002","124","","7061","7069","10.1021/ja020238i","","","0.71073","MoKα","","0.1422","0.0777","","","0.1627","0.194","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114890","11.7691","0.0002","5.7168","0.0001","18.3157","0.0002","90","","108.209","0.001","90","","1170.6","0.03","100","","100","","","","","","","","see paper","4","P 1 21 1","P 2yb","4","","(2R,3S,4S)-2,3-((1-methylethylidene)-dioxy)-1,4-O-p-bromobenzoyloxy-heptane","","- C24 H26 Br2 O6 -","- C24 H26 Br2 O6 -","- C48 H52 Br4 O12 -","2","1","","Alois Fürstner; Karin Radkowski; Conny Wirtz; Richard Goddard; Christian W. Lehmann; Richard Mynott","Total Syntheses of the Phytotoxic Lactones Herbarumin I and II and a Synthesis-Based Solution of the Pinolidoxin Puzzle","Journal of the American Chemical Society","2002","124","","7061","7069","10.1021/ja020238i","","","0.71073","MoKα","","0.0426","0.0377","","","0.0979","0.1071","","","","","","1.123","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114891","8.795","0.0004","26.016","0.0014","11.617","0.0006","90","","102.853","0.003","90","","2591.5","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound 2-d27","","","- C29 H13 D27 N2 Pt -","- C29 H40 N2 Pt -","- C116 H160 N8 Pt4 -","4","1","","Ulrich Fekl; Karen I. Goldberg","Five-Coordinate Platinum(IV) Complex as a Precursor to a Novel Pt(II) Olefin Hydride Complex for Alkane Activation","Journal of the American Chemical Society","2002","124","","6804","6805","10.1021/ja0258677","","","0.7107","MoKα","","0.1186","0.0421","","","0.0636","0.0781","","","","","","0.716","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114892","18.4873","0.001","10.9402","0.0007","20.2958","0.001","90","","90","","90","","4104.9","0.4","103","2","103","2","","","","","","","","4","P n a 21","P 2c -2n","33","germabenzene","","","- C32 H64 Ge Si6 -","- C32 H64 Ge Si6 -","- C128 H256 Ge4 Si24 -","4","1","","Norio Nakata; Nobuhiro Takeda; Norihiro Tokitoh","Synthesis and Properties of the First Stable Germabenzene","Journal of the American Chemical Society","2002","124","","6914","6920","10.1021/ja0262941","","","0.7107","MoKα","","0.0236","0.0224","","","0.0556","0.0561","","","","","","1.092","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114893","8.9287","0.0005","9.9445","0.0005","12.401","0.0007","95.166","0.001","106.82","0.001","96.277","0.001","1039.07","0.1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H26 O9 -","- C20 H26 O9 -","- C40 H52 O18 -","2","1","","Yoshihiko Yamamoto; Hideyuki Takagishi; Kenji Itoh","Ruthenium(II)-Catalyzed [2 + 2 + 2] Cycloaddition of 1,6-Diynes with Tricarbonyl Compounds","Journal of the American Chemical Society","2002","124","","6844","6845","10.1021/ja0264100","","","0.71073","MoKα","","0.0625","0.0557","","","0.1765","0.1911","","","","","","0.811","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114894","8.1787","0.0005","11.8767","0.0007","13.1547","0.0008","100.193","0.001","97.805","0.001","109.716","0.001","1157.24","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 Cl2 N O5 S -","- C24 H21 Cl2 N O5 S -","- C48 H42 Cl4 N2 O10 S2 -","2","1","","Yoshihiko Yamamoto; Hideyuki Takagishi; Kenji Itoh","Ruthenium(II)-Catalyzed [2 + 2 + 2] Cycloaddition of 1,6-Diynes with Tricarbonyl Compounds","Journal of the American Chemical Society","2002","124","","6844","6845","10.1021/ja0264100","","","0.71073","MoKα","","0.0615","0.0502","","","0.1491","0.1644","","","","","","0.702","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4114895","11.21","0","7.938","0.001","11.76","0","90","","114.33","0","90","","953.52","0.12","273.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Br N O3 -","- C20 H20 Br N O3 -","- C40 H40 Br2 N2 O6 -","2","1","","Barry M. Trost; Kalindi Dogra","Synthesis of Novel Quaternary Amino Acids Using Molybdenum-Catalyzed Asymmetric Allylic Alkylation","Journal of the American Chemical Society","2002","124","","7256","7257","10.1021/ja020290e","","","0.7107","MoKα","","","0.033","","","","0.082","","","","","","0.721","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114896","8.8043","0.0004","18.4412","0.0007","10.0523","0.0004","90","","99.256","0.004","90","","1610.86","0.12","73","2","73","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H24 B9 Br2 N -","- C4 H24 B9 Br2 N -","- C16 H96 B36 Br8 N4 -","4","1","","Jonathan Bould; Robert Greatrex; John D. Kennedy; Daniel L. Ormsby; Michael G. S. Londesborough; Karen L. F. Callaghan; Mark Thornton-Pett; Trevor R. Spalding; Simon J. Teat; William Clegg; Hong Fang; Nigam P. Rath; Lawrence Barton","Structural Chemistry of arachno-Nonaboranes","Journal of the American Chemical Society","2002","124","","7429","7439","10.1021/ja025700d","","","1.54184","CuKα","","0.0476","0.0424","","","0.1118","0.1168","","","","","","1.042","","","","has coordinates,has disorder","178919","2020-10-21","18:00:00",""
"4114897","7.717","0.0015","11.674","0.002","10.054","0.002","90","","95.09","0.03","90","","902.2","0.3","143","2","143","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B9 H14 K -","- B9 H14 K -","- B36 H56 K4 -","4","1","","Jonathan Bould; Robert Greatrex; John D. Kennedy; Daniel L. Ormsby; Michael G. S. Londesborough; Karen L. F. Callaghan; Mark Thornton-Pett; Trevor R. Spalding; Simon J. Teat; William Clegg; Hong Fang; Nigam P. Rath; Lawrence Barton","Structural Chemistry of arachno-Nonaboranes","Journal of the American Chemical Society","2002","124","","7429","7439","10.1021/ja025700d","","","0.71073","MoKα","","0.0444","0.0302","","","0.0632","0.0678","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114898","6.0434","0.0007","18.628","0.002","12.6874","0.0015","90","","92.062","0.002","90","","1427.4","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 B9 P -","- C6 H16 B9 P -","- C24 H64 B36 P4 -","4","1","","Jonathan Bould; Robert Greatrex; John D. Kennedy; Daniel L. Ormsby; Michael G. S. Londesborough; Karen L. F. Callaghan; Mark Thornton-Pett; Trevor R. Spalding; Simon J. Teat; William Clegg; Hong Fang; Nigam P. Rath; Lawrence Barton","Structural Chemistry of arachno-Nonaboranes","Journal of the American Chemical Society","2002","124","","7429","7439","10.1021/ja025700d","","","0.6942","","","0.0457","0.04","","","0.1031","0.1075","","","","","","1.11","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114899","9.5057","0.0001","12.8371","0.0002","20.9018","0.0003","90","","90","","90","","2550.56","0.06","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H24 B9 N -","- C4 H24 B9 N -","- C32 H192 B72 N8 -","8","1","","Jonathan Bould; Robert Greatrex; John D. Kennedy; Daniel L. Ormsby; Michael G. S. Londesborough; Karen L. F. Callaghan; Mark Thornton-Pett; Trevor R. Spalding; Simon J. Teat; William Clegg; Hong Fang; Nigam P. Rath; Lawrence Barton","Structural Chemistry of arachno-Nonaboranes","Journal of the American Chemical Society","2002","124","","7429","7439","10.1021/ja025700d","","","0.71073","MoKα","","0.0451","0.0387","","","0.1059","0.1124","","","","","","1.063","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114900","5.7787","0.0004","10.1992","0.0007","10.4677","0.0008","87.154","0.002","76.907","0.002","84.296","0.002","597.7","0.07","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H18 B9 N -","- C5 H18 B9 N -","- C10 H36 B18 N2 -","2","1","","Jonathan Bould; Robert Greatrex; John D. Kennedy; Daniel L. Ormsby; Michael G. S. Londesborough; Karen L. F. Callaghan; Mark Thornton-Pett; Trevor R. Spalding; Simon J. Teat; William Clegg; Hong Fang; Nigam P. Rath; Lawrence Barton","Structural Chemistry of arachno-Nonaboranes","Journal of the American Chemical Society","2002","124","","7429","7439","10.1021/ja025700d","","","1.54184","CuKα","","0.0518","0.0412","","","0.1107","0.1169","","","","","","1.054","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114901","10.1178","0.0003","5.6413","0.0001","24.525","0.0008","90","","90","","90","","1399.83","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H22 B9 N -","- C7 H22 B9 N -","- C28 H88 B36 N4 -","4","1","","Jonathan Bould; Robert Greatrex; John D. Kennedy; Daniel L. Ormsby; Michael G. S. Londesborough; Karen L. F. Callaghan; Mark Thornton-Pett; Trevor R. Spalding; Simon J. Teat; William Clegg; Hong Fang; Nigam P. Rath; Lawrence Barton","Structural Chemistry of arachno-Nonaboranes","Journal of the American Chemical Society","2002","124","","7429","7439","10.1021/ja025700d","","","0.71073","MoKα","","0.0505","0.0395","","","0.088","0.093","","","","","","1.049","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114902","5.6183","0.0011","9.0867","0.0018","9.844","0.002","90","","90.41","0.03","90","","502.54","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H16 B9 N -","- C2 H16 B9 N -","- C4 H32 B18 N2 -","2","1","","Jonathan Bould; Robert Greatrex; John D. Kennedy; Daniel L. Ormsby; Michael G. S. Londesborough; Karen L. F. Callaghan; Mark Thornton-Pett; Trevor R. Spalding; Simon J. Teat; William Clegg; Hong Fang; Nigam P. Rath; Lawrence Barton","Structural Chemistry of arachno-Nonaboranes","Journal of the American Chemical Society","2002","124","","7429","7439","10.1021/ja025700d","","","0.71073","MoKα","","0.0651","0.0432","","","0.0983","0.1118","","","","","","1.062","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114903","15.958","0.006","6.429","0.003","16.963","0.004","90","","113.83","0.02","90","","1591.9","1.1","296.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 O2 -","- C18 H24 O2 -","- C72 H96 O8 -","4","1","","Makoto Yasuda; Shoki Tsuji; Yusuke Shigeyoshi; Akio Baba","Cross-Coupling Reaction of α-Chloroketones and Organotin Enolates Catalyzed by Zinc Halides for Synthesis of γ-Diketones","Journal of the American Chemical Society","2002","124","","7440","7447","10.1021/ja0258172","","","0.7107","MoKα","","","0.0669","","","","0.0586","","","","","","2.841","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114904","12.041","0.0002","18.204","0.0003","18.59","0.0003","90","","90","","90","","4074.82","0.12","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Ga-NO2-corrole","","","- C48 H18 F15 Ga N6 O2 -","- C48 H18 F15 Ga N6 O2 -","- C192 H72 F60 Ga4 N24 O8 -","4","1","","Irena Saltsman; Atif Mahammed; Israel Goldberg; Elena Tkachenko; Mark Botoshansky; Zeev Gross","Selective Substitution of Corroles: Nitration, Hydroformylation, and Chlorosulfonation","Journal of the American Chemical Society","2002","124","","7411","7420","10.1021/ja025851g","","","0.7107","MoKα","","0.0637","0.0459","","","0.1019","0.1127","","","","","","1.014","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4114905","17.908","0.004","12.516","0.002","25.133","0.005","90","","122.65","0.002","90","","4743.1","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Ga-(NO2)2-corrole","","","- C47 H16 F15 Ga N9 Na O7 -","- C47 H16 F15 Ga N9 Na O7 -","- C188 H64 F60 Ga4 N36 Na4 O28 -","4","1","","Irena Saltsman; Atif Mahammed; Israel Goldberg; Elena Tkachenko; Mark Botoshansky; Zeev Gross","Selective Substitution of Corroles: Nitration, Hydroformylation, and Chlorosulfonation","Journal of the American Chemical Society","2002","124","","7411","7420","10.1021/ja025851g","","","0.7107","MoKα","","0.1579","0.0689","","","0.1524","0.1813","","","","","","0.894","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114906","11.399","0.0003","19.023","0.0004","22.761","0.0006","90","","104.564","0.0012","90","","4777","0.2","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Ga-(NO2)3-corrole","","","- C49 H24 Cl2 F15 Ga N8 O6 -","- C49.15 H10 Cl2 F15 Ga N8 O6 -","- C196.6 H40 Cl8 F60 Ga4 N32 O24 -","4","1","","Irena Saltsman; Atif Mahammed; Israel Goldberg; Elena Tkachenko; Mark Botoshansky; Zeev Gross","Selective Substitution of Corroles: Nitration, Hydroformylation, and Chlorosulfonation","Journal of the American Chemical Society","2002","124","","7411","7420","10.1021/ja025851g","","","0.7107","MoKα","","0.1601","0.1014","","","0.2706","0.312","","","","","","0.994","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114907","13.827","0.003","13.815","0.003","18.209","0.004","76.76","0.02","79.18","0.02","70.13","0.02","3161.2","1.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","Co-(SO2)2-corrole","","","- C71 H47 Co F15 N6 O4 P S2 -","- C71 H47 Co F15 N6 O4 P S2 -","- C142 H94 Co2 F30 N12 O8 P2 S4 -","2","1","","Irena Saltsman; Atif Mahammed; Israel Goldberg; Elena Tkachenko; Mark Botoshansky; Zeev Gross","Selective Substitution of Corroles: Nitration, Hydroformylation, and Chlorosulfonation","Journal of the American Chemical Society","2002","124","","7411","7420","10.1021/ja025851g","","","0.71073","MoKα","","0.1695","0.1046","","","0.2469","0.2698","","","","","","1.055","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114908","8.3195","0.0012","9.8962","0.0014","18.175","0.003","97.034","0.002","92.03","0.003","113.688","0.002","1354.1","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cl3 O8 P4 Rh -","- C19.994 H24 Cl3 O8 P4 Rh -","- C39.988 H48 Cl6 O16 P8 Rh2 -","2","1","","Kannan Raghuraman; Nagavarakishore Pillarsetty; Wynn A. Volkert; Charles Barnes; Silvia Jurisson; Kattesh V. Katti","Exceptional Kinetic Propensity of Hydroxymethyl Phosphanes toward Rh(III) Stabilization in Water","Journal of the American Chemical Society","2002","124","","7276","7277","10.1021/ja025987e","","","0.71073","MoKα","","0.0651","0.0586","","","0.166","0.169","","","","","","1.067","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4114909","11.8195","0.0008","12.8382","0.0008","13.5007","0.0009","90","","90","","90","","2048.6","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H27 Cl3 O10 P3 Rh -","- C9 H18 Cl3 O10 P3 Rh -","- C36 H72 Cl12 O40 P12 Rh4 -","4","1","","Kannan Raghuraman; Nagavarakishore Pillarsetty; Wynn A. Volkert; Charles Barnes; Silvia Jurisson; Kattesh V. Katti","Exceptional Kinetic Propensity of Hydroxymethyl Phosphanes toward Rh(III) Stabilization in Water","Journal of the American Chemical Society","2002","124","","7276","7277","10.1021/ja025987e","","","0.71073","MoKα","","0.0741","0.0503","","","0.1154","0.1248","","","","","","1.025","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114910","15.4936","0.0017","8.2673","0.0009","13.1465","0.0015","90","","90","","90","","1683.9","0.3","293","2","293","2","","","","","","","","5","P b c 21","P 2c -2b","29","","","","- H3.2 K2 O18.6 Si6 V2 -","- K2 O18.693 Si6 V2 -","- K8 O74.772 Si24 V8 -","4","1","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Open-Framework and Microporous Vanadium Silicates","Journal of the American Chemical Society","2002","124","","7812","7820","10.1021/ja020354l","","","0.71073","MoKα","","0.1101","0.0458","","","0.0768","0.0898","","","","","","0.846","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114911","15.614","0.009","8.36","0.005","13.142","0.008","90","","90","","90","","1715.5","1.8","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- H3.2 O18.6 Rb2 Si6 V2 -","- O18.6 Rb2 Si6 V2 -","- O74.4 Rb8 Si24 V8 -","4","0.5","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Open-Framework and Microporous Vanadium Silicates","Journal of the American Chemical Society","2002","124","","7812","7820","10.1021/ja020354l","","","0.71073","MoKα","","0.1454","0.0781","","","0.1709","0.1975","","","","","","0.933","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114912","13.392","0.0018","13.392","0.0018","21.568","0.004","90","","90","","120","","3349.9","0.9","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Cs2 H5.4 O13.7 Si4 V -","- Cs1.996 O13.7013 Si4 V -","- Cs17.964 O123.312 Si36 V9 -","9","0.25","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Open-Framework and Microporous Vanadium Silicates","Journal of the American Chemical Society","2002","124","","7812","7820","10.1021/ja020354l","","","0.71073","MoKα","","0.1448","0.0501","","","0.0687","0.0847","","","","","","0.879","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114913","13.2878","0.0008","13.2878","0.0008","21.256","0.002","90","","90","","120","","3250.3","0.4","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- H6 O14 Rb2 Si4 V -","- O13.8833 Rb1.996 Si4.004 V -","- O124.95 Rb17.964 Si36.036 V9 -","9","0.25","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Open-Framework and Microporous Vanadium Silicates","Journal of the American Chemical Society","2002","124","","7812","7820","10.1021/ja020354l","","","0.71073","MoKα","","0.1475","0.1109","","","0.3551","0.3725","","","","","","1.113","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114914","13.11","0.015","13.11","0.015","14.35","0.02","90","","90","","120","","2136","5","293","2","293","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- Cs1.33 H4.8 K0.67 O13.4 Si4 V -","- Cs1.33 K0.67 O12.8933 Si4 V -","- Cs7.98 K4.02 O77.36 Si24 V6 -","6","1","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Open-Framework and Microporous Vanadium Silicates","Journal of the American Chemical Society","2002","124","","7812","7820","10.1021/ja020354l","","","0.71073","MoKα","","0.1788","0.142","","","0.3276","0.3474","","","","","","2.424","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114915","13.1698","0.0006","13.1698","0.0006","14.5054","0.0008","90","","90","","120","","2178.81","0.18","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- H6 O14 Rb2 Si4 V -","- O11.7367 Rb2 Si4 V -","- O70.42 Rb12 Si24 V6 -","6","0.25","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Open-Framework and Microporous Vanadium Silicates","Journal of the American Chemical Society","2002","124","","7812","7820","10.1021/ja020354l","","","0.71073","MoKα","","0.0938","0.0791","","","0.2442","0.2581","","","","","","1.099","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114916","13.5674","0.0019","13.5674","0.0019","21.855","0.004","90","","90","","120","","3484","0.9","293","2","293","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- Cs H6 Na O14 Si4 V -","- Cs1.00233 Na O12.5867 Si4 V -","- Cs9.021 Na9 O113.28 Si36 V9 -","9","0.5","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Open-Framework and Microporous Vanadium Silicates","Journal of the American Chemical Society","2002","124","","7812","7820","10.1021/ja020354l","","","0.71073","MoKα","","0.084","0.0754","","","0.2225","0.2283","","","","","","1.174","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114917","18.2124","0.0007","18.2124","0.0007","45.752","0.002","90","","90","","120","","13142.4","0.9","293","2","293","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- H5.6 Na O13.8 Rb Si4 V -","- Na O13.7765 Rb1.00067 Si4 V -","- Na36 O495.954 Rb36.024 Si144 V36 -","36","1","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Open-Framework and Microporous Vanadium Silicates","Journal of the American Chemical Society","2002","124","","7812","7820","10.1021/ja020354l","","","0.71073","MoKα","","0.1513","0.1222","","","0.2948","0.3121","","","","","","1.24","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114918","12.689","0.003","14.915","0.003","6.9835","0.0014","90","","90","","90","","1321.7","0.5","293","2","293","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- Cs2 H2 O12 Si4 V -","- Cs2.013 O12.176 Si4 V -","- Cs8.052 O48.704 Si16 V4 -","4","0.5","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Open-Framework and Microporous Vanadium Silicates","Journal of the American Chemical Society","2002","124","","7812","7820","10.1021/ja020354l","","","0.71073","MoKα","","0.1314","0.1131","","","0.2378","0.2443","","","","","","1.261","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114919","12.859","0.003","14.911","0.004","7.078","0.002","90","","90","","90","","1357.1","0.6","293","2","293","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- H5.5 Li2 O13.75 Si4 V -","- Li1.99 O13.8 Si4 V -","- Li7.96 O55.2 Si16 V4 -","4","0.5","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Open-Framework and Microporous Vanadium Silicates","Journal of the American Chemical Society","2002","124","","7812","7820","10.1021/ja020354l","","","0.71073","MoKα","","0.2733","0.0868","","","0.209","0.2708","","","","","","0.879","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114920","14.408","0.009","9.129","0.006","10.452","0.007","90","","90","","90","","1374.8","1.5","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- H6.3 Na2 O14.15 Si4 V -","- Na2 O14.16 Si4 V -","- Na8 O56.64 Si16 V4 -","4","0.25","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Open-Framework and Microporous Vanadium Silicates","Journal of the American Chemical Society","2002","124","","7812","7820","10.1021/ja020354l","","","0.71073","MoKα","","0.1325","0.0594","","","0.1036","0.1256","","","","","","0.891","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114921","27.544","0.004","8.69","0.0014","10.0607","0.0016","90","","109.581","0.003","90","","2268.8","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- H2.8 Na2 O12.4 Si4 V -","- Na2 O12.4 Si4 V -","- Na16 O99.2 Si32 V8 -","8","1","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Open-Framework and Microporous Vanadium Silicates","Journal of the American Chemical Society","2002","124","","7812","7820","10.1021/ja020354l","","","0.71073","MoKα","","0.192","0.058","","","0.103","0.1329","","","","","","0.821","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114922","13.967","0.001","15.928","0.001","30.332","0.001","92.3","0.01","100.89","0.01","103.46","0.01","6419.3","0.8","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C420 H128 Cl12 Co2 Cr4 N16 -","- C420 H128 Cl12 Co2 Cr4 N16 -","- C420 H128 Cl12 Co2 Cr4 N16 -","1","0.5","","Dmitry V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Yukihiro Yoshida; Gunzi Saito","Synthesis and Crystal Structure of Ionic Multicomponent Complex: {[CrI(PhH)2].+}2[CoIITPP(C60(CN)2)]-[C60(CN)2].-.3(o-C6H4Cl2) Containing C60(CN)2.- Radical Anion and σ-Bonded Diamagnetic CoIITPP(C60(CN)2)- Anion","Journal of the American Chemical Society","2002","124","","7648","7649","10.1021/ja0203667","","","0.71073","MoKα","","0.0841","0.0666","","","0.1707","0.1882","","","","","","1.024","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4114923","8.5157","0.0019","9.547","0.002","14.467","0.003","77.315","0.004","76.469","0.004","72.97","0.004","1078.8","0.4","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C60 H46 -","- C60 H46 -","- C60 H46 -","1","0.5","","Zaira Dominguez; Hung Dang; M. Jane Strouse; Miguel A. Garcia-Garibay","Molecular ""Compasses"" and ""Gyroscopes."" III. Dynamics of a Phenylene Rotor and Clathrated Benzene in a Slipping-Gear Crystal Lattice","Journal of the American Chemical Society","2002","124","","7719","7727","10.1021/ja025753v","","","0.71073","MoKα","","0.0732","0.0409","","","0.0793","0.0885","","","","","","0.892","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114924","9.15","0.0014","10.3067","0.0016","10.5004","0.0017","61.736","0.003","85.731","0.003","72.477","0.003","829","0.2","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C48 H34 -","- C48 H34 -","- C48 H34 -","1","0.5","","Zaira Dominguez; Hung Dang; M. Jane Strouse; Miguel A. Garcia-Garibay","Molecular ""Compasses"" and ""Gyroscopes."" III. Dynamics of a Phenylene Rotor and Clathrated Benzene in a Slipping-Gear Crystal Lattice","Journal of the American Chemical Society","2002","124","","7719","7727","10.1021/ja025753v","","","0.71073","MoKα","","0.0525","0.0395","","","0.1072","0.1149","","","","","","1.093","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114925","16.5688","0.0013","13.229","0.0018","17.8632","0.0017","90","","90","","90","","3915.4","0.7","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H16 Al B11 Cl6 -","- C5 H16 Al B11 Cl6 -","- C40 H128 Al8 B88 Cl48 -","8","1","","Kee-Chan Kim; Christopher A. Reed; Gregory S. Long; Ayusman Sen","Et2Al+ Alumenium Ion-like Chemistry. Synthesis and Reactivity toward Alkenes and Alkene Oxides","Journal of the American Chemical Society","2002","124","","7662","7663","10.1021/ja0259990","","","0.71073","MoKα","","0.0432","0.0333","","","0.0906","0.097","","","","","","1.012","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4114926","8.0441","0.001","14.6679","0.0018","17.537","0.002","90","","90","","90","","2069.2","0.4","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H16 Al B11 Br6 -","- C5 H16 Al B11 Br6 -","- C20 H64 Al4 B44 Br24 -","4","1","","Kee-Chan Kim; Christopher A. Reed; Gregory S. Long; Ayusman Sen","Et2Al+ Alumenium Ion-like Chemistry. Synthesis and Reactivity toward Alkenes and Alkene Oxides","Journal of the American Chemical Society","2002","124","","7662","7663","10.1021/ja0259990","","","0.71073","MoKα","","0.0331","0.0287","","","0.0623","0.0631","","","","","","1.01","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4114927","20.2143","0.0016","13.86","0.0011","24.184","0.002","90","","100.803","0.002","90","","6655.6","0.9","223","2","223","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H29 Al B11 Br6 N2 -","- C18 H29 Al B11 Br6 N2 -","- C144 H232 Al8 B88 Br48 N16 -","8","1","","Kee-Chan Kim; Christopher A. Reed; Gregory S. Long; Ayusman Sen","Et2Al+ Alumenium Ion-like Chemistry. Synthesis and Reactivity toward Alkenes and Alkene Oxides","Journal of the American Chemical Society","2002","124","","7662","7663","10.1021/ja0259990","","","0.71073","MoKα","","0.0484","0.0306","","","0.0551","0.0569","","","","","","1.018","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114928","8.957","0.003","26.048","0.008","11.715","0.004","90","","97.026","0.005","90","","2712.7","1.5","183","2","183","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H61 I N3 O2 U -","- C46 H61 I N3 O2 U -","- C92 H122 I2 N6 O4 U2 -","2","1","","Paula L. Diaconescu; Christopher C. Cummins","Diuranium Inverted Sandwiches Involving Naphthalene and Cyclooctatetraene","Journal of the American Chemical Society","2002","124","","7660","7661","10.1021/ja026200n","","","0.71073","MoKα","","0.0613","0.058","","","0.1674","0.1705","","","","","","1.084","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114929","12.82","0.003","29.511","0.007","25.647","0.006","90","","99.737","0.004","90","","9563","4","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C98 H138 K2 N6 O U2 -","- C98 H138 K2 N6 O U2 -","- C392 H552 K8 N24 O4 U8 -","4","1","","Paula L. Diaconescu; Christopher C. Cummins","Diuranium Inverted Sandwiches Involving Naphthalene and Cyclooctatetraene","Journal of the American Chemical Society","2002","124","","7660","7661","10.1021/ja026200n","","","0.71073","MoKα","","0.0648","0.0437","","","0.1068","0.1211","","","","","","1.052","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114930","11.4758","0.001","23.639","0.002","19.4963","0.0018","90","","102.527","0.002","90","","5163","0.8","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H69 N3 Na O U -","- C54 H69 N3 Na O U -","- C216 H276 N12 Na4 O4 U4 -","4","1","","Paula L. Diaconescu; Christopher C. Cummins","Diuranium Inverted Sandwiches Involving Naphthalene and Cyclooctatetraene","Journal of the American Chemical Society","2002","124","","7660","7661","10.1021/ja026200n","","","0.71073","MoKα","","0.047","0.0352","","","0.0878","0.0927","","","","","","1.053","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114931","13.8845","0.001","22.2016","0.0016","14.6531","0.0011","90","","104.03","0.001","90","","4382.2","0.6","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H63 N3 U -","- C46 H63 N3 U -","- C184 H252 N12 U4 -","4","1","","Paula L. Diaconescu; Christopher C. Cummins","Diuranium Inverted Sandwiches Involving Naphthalene and Cyclooctatetraene","Journal of the American Chemical Society","2002","124","","7660","7661","10.1021/ja026200n","","","0.71073","MoKα","","0.0301","0.0242","","","0.058","0.0608","","","","","","1.049","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114932","14.2312","0.0004","14.2312","0.0004","28.1433","0.001","90","","90","","120","","4936.2","0.3","293","2","293","2","","","","","","","","8","P -3 1 c","-P 3 2c","163","","","","- C72 H126 Cl3 K Mn Mo6 N36 O12 -","- C72 H126 Cl3 K Mn Mo6 N36 O12.04 -","- C144 H252 Cl6 K2 Mn2 Mo12 N72 O24.08 -","2","0.166667","","Jennifer J. Sokol; Allan G. Hee; Jeffrey R. Long","A Cyano-Bridged Single-Molecule Magnet: Slow Magnetic Relaxation in a Trigonal Prismatic MnMo6(CN)18 Cluster","Journal of the American Chemical Society","2002","124","","7656","7657","10.1021/ja0263846","","","0.71073","MoKα","","0.0718","0.0514","","0.1375","0.128","","","","1.066","1.172","1.172","","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4114933","9.416","0.002","9.416","0.002","51.331","0.014","90","","90","","90","","4551.1","1.8","213","2","213","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C25 H33 N O4 -","- C25 H33 N O4 -","- C200 H264 N8 O32 -","8","1","","Thorsten Bach; Hermann Bergmann; Benjamin Grosch; Klaus Harms","Highly Enantioselective Intra- and Intermolecular [2 + 2] Photocycloaddition Reactions of 2-Quinolones Mediated by a Chiral Lactam Host: Host-Guest Interactions, Product Configuration, and the Origin of the Stereoselectivity in Solution","Journal of the American Chemical Society","2002","124","","7982","7990","10.1021/ja0122288","","","1.54178","CuKα","","0.0933","0.0628","","","0.1625","0.1863","","","","","","1.035","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114934","7.665","0.001","11.644","0.001","12.606","0.001","98.57","0.01","105.09","0.01","97.31","0.01","1057.8","0.2","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H33 N O3 Si -","- C21 H33 N O3 Si -","- C42 H66 N2 O6 Si2 -","2","1","","Thorsten Bach; Hermann Bergmann; Benjamin Grosch; Klaus Harms","Highly Enantioselective Intra- and Intermolecular [2 + 2] Photocycloaddition Reactions of 2-Quinolones Mediated by a Chiral Lactam Host: Host-Guest Interactions, Product Configuration, and the Origin of the Stereoselectivity in Solution","Journal of the American Chemical Society","2002","124","","7982","7990","10.1021/ja0122288","","","1.54178","CuKα","","0.0906","0.0628","","","0.1558","0.1756","","","","","","1.039","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114935","13.8946","0.0006","15.149","0.0009","17.4672","0.001","75.587","0.002","67.113","0.003","70.637","0.003","3165","0.3","200","2","200","2","","","","","","","chemical synthesis","3","P -1","-P 1","2","","1:2:1 2,3,5,6,7,8-hexaphenyl-1,4-di(o-tolyl)naphthalene : 1,2,3,8,9,10- hexaphenyldibenzo[fg,op]naphthacene : dichloromethane complex","","- C181 H122 Cl2 -","- C181 H115.044 Cl2 -","- C181 H115.044 Cl2 -","1","0.5","","Jun Lu; Jiajia Zhang; Xianfeng Shen; Douglas M. Ho; Robert A. Pascal","Octaphenylbiphenylene and Dodecaphenyltriptycene","Journal of the American Chemical Society","2002","124","","8035","8041","10.1021/ja0203723","","","0.71073","MoKα","","0.147","0.0973","","0.2352","0.2081","","","","1.087","1.21","1.21","","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4114936","18.6482","0.0005","24.2381","0.0008","10.5573","0.0003","90","","90","","90","","4771.9","0.2","200","2","200","2","","","","","","","chemical synthesis","3","P b c n","-P 2n 2ab","60","","Octaphenylbiphenylene","","- C62 H44 Cl4 -","- C62 H44 Cl4 -","- C248 H176 Cl16 -","4","0.5","","Jun Lu; Jiajia Zhang; Xianfeng Shen; Douglas M. Ho; Robert A. Pascal","Octaphenylbiphenylene and Dodecaphenyltriptycene","Journal of the American Chemical Society","2002","124","","8035","8041","10.1021/ja0203723","","","0.71073","MoKα","","0.1038","0.0626","","0.1803","0.1531","","","","1.018","1.085","1.085","","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4114937","19.2738","0.0004","28.5548","0.0005","32.331","0.0005","90","","125.485","0.0008","90","","14488.9","0.5","200","2","200","2","","","","","","","chemical synthesis","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,4,5,6,7,8,13,14,15,16-Dodecaphenyltriptycene","","- C93 H64 Cl2 -","- C93 H64 Cl2 -","- C744 H512 Cl16 -","8","2","","Jun Lu; Jiajia Zhang; Xianfeng Shen; Douglas M. Ho; Robert A. Pascal","Octaphenylbiphenylene and Dodecaphenyltriptycene","Journal of the American Chemical Society","2002","124","","8035","8041","10.1021/ja0203723","","","0.71073","MoKα","","0.1119","0.0753","","0.2266","0.2071","","","","1.036","1.172","1.172","","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4114938","24.1553","0.0015","17.016","0.0012","26.221","0.002","90","","90","","90","","10777.5","1.3","200","2","200","2","","","","","","","chemical synthesis","2","P n a 21","P 2c -2n","33","","1,2,3,4,5,6,7,8,13,14,15,16-Dodecaphenyltriptycene Benzene Clathrate","","- C146 H116 -","- C146 H116 -","- C584 H464 -","4","1","","Jun Lu; Jiajia Zhang; Xianfeng Shen; Douglas M. Ho; Robert A. Pascal","Octaphenylbiphenylene and Dodecaphenyltriptycene","Journal of the American Chemical Society","2002","124","","8035","8041","10.1021/ja0203723","","","0.71073","MoKα","","0.0993","0.0602","","0.139","0.1182","","","","1.058","1.114","1.114","","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114939","25.566","0.008","11.361","0.003","9.734","0.002","89.99","0.02","89.95","0.02","90.01","0.02","2827.3","1.3","298.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H13 F O -","- C21.7143 H14.8571 F1.14286 O1.14286 -","- C152 H104 F8 O8 -","7","0.875","","Yoshiaki Nishibayashi; Youichi Inada; Masanobu Hidai; Sakae Uemura","Ruthenium-Catalyzed Cycloaddition of Propargylic Alcohols with Phenol Derivatives via Allenylidene Intermediates: Catalytic Use of the Allenylidene Ligand as the C3 Unit","Journal of the American Chemical Society","2002","124","","7900","7901","10.1021/ja026168x","","","0.7107","MoKα","","","0.043","","","","0.031","","","","","","2.336","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114940","11.2616","0.0004","5.7722","0.0001","20.9491","0.0003","90","","94.707","0.003","90","","1357.19","0.06","296.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C68 H64 O12 -","4","1","","Yoshiaki Nishibayashi; Youichi Inada; Masanobu Hidai; Sakae Uemura","Ruthenium-Catalyzed Cycloaddition of Propargylic Alcohols with Phenol Derivatives via Allenylidene Intermediates: Catalytic Use of the Allenylidene Ligand as the C3 Unit","Journal of the American Chemical Society","2002","124","","7900","7901","10.1021/ja026168x","","","0.7107","MoKα","","","0.037","","","","0.036","","","","","","1.577","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114941","8.6796","0.0011","12.275","0.0016","19.378","0.003","81.824","0.002","85.027","0.002","75.882","0.002","1979","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H33.17 N11.5 O6.34 Ru -","- C43 H31 N11.5 O6.34 Ru -","- C86 H62 N23 O12.68 Ru2 -","2","1","","Yuan-Qing Fang; Nicholas J. Taylor; Garry S. Hanan; Frédérique Loiseau; Rosalba Passalacqua; Sebastiano Campagna; Hélène Nierengarten; Alain Van Dorsselaer","A Strategy for Improving the Room-Temperature Luminescence Properties of Ru(II) Complexes with Tridentate Ligands","Journal of the American Chemical Society","2002","124","","7912","7913","10.1021/ja0261776","","","0.71073","MoKα","","0.0995","0.083","","","0.1456","0.1485","","","","","","1.889","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114942","29.963","0.004","16.29","0.01","17.264","0.004","90","","115.82","0.01","90","","7585","5","258.2","","258.2","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Cl2 F10 N2 O2 Si2 Ti -","- C32 H26 Cl2 F10 N2 O2 Si2 Ti -","- C256 H208 Cl16 F80 N16 O16 Si16 Ti8 -","8","1","","Makoto Mitani; Rieko Furuyama; Jun-ichi Mohri; Junji Saito; Seiichi Ishii; Hiroshi Terao; Norio Kashiwa; Terunori Fujita","Fluorine- and Trimethylsilyl-Containing Phenoxy-Imine Ti Complex for Highly Syndiotactic Living Polypropylenes with Extremely High Melting Temperatures","Journal of the American Chemical Society","2002","124","","7888","7889","10.1021/ja026229r","","","0.7107","MoKα","","0.0401","0.0401","","","0.0978","0.0978","","","","","","1.302","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114943","10.994","0.003","11.951","0.004","13.757","0.004","90","","90","","90","","1807.5","0.9","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Phil S. Baran; E. J. Corey","A Short Synthetic Route to (+)-Austamide, (+)-Deoxyisoaustamide, and (+)-Hydratoaustamide from a Common Precursor by a Novel Palladium-Mediated Indole →Dihydroindoloazocine Cyclization","Journal of the American Chemical Society","2002","124","","7904","7905","10.1021/ja026663t","","","0.71073","MoKα","","0.1497","0.0557","","","0.0689","0.085","","","","","","0.857","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114944","19.216","0.004","16.339","0.003","20.751","0.005","90","0.02","114.05","0.02","90","0.02","5950","2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H58 Ag3 N11 O10 Si4 -","- C48 H56 Ag3 N11 O9.75 Si4 -","- C192 H224 Ag12 N44 O39 Si16 -","4","2","","Ok-Sang Jung; Yun Ju Kim; Kwan Mook Kim; Young-A Lee","A 20-Å-Thick Interwoven Sheet Consisting of Nanotubes","Journal of the American Chemical Society","2002","124","","7906","7907","10.1021/ja026774s","","","0.71073","MoKα","","0.052","0.0492","","","0.1258","0.1289","","","","","","0.996","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114945","16.1489","0.001","11.4856","0.0007","24.025","0.0015","90","","90","","90","","4456.2","0.5","193","2","193","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C45 H40 F8 N8 O12 -","- C45 H40 F8 N8 O12 -","- C180 H160 F32 N32 O48 -","4","1","","Arindam Chakraborty; Anxin Wu; Dariusz Witt; Jason Lagona; James C. Fettinger; Lyle Isaacs","Diastereoselective Formation of Glycoluril Dimers: Isomerization Mechanism and Implications for Cucurbit[n]uril Synthesis","Journal of the American Chemical Society","2002","124","","8297","8306","10.1021/ja025876f","","","0.71073","MoKα","","0.0451","0.0342","","","0.084","0.0917","","","","","","1.044","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114946","16.1151","0.0011","15.887","0.002","26.0621","0.0007","90","","92.813","0.0004","90","","6664.4","1","180.2","","180.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H84 N6 Nb2 P4 Si8 -","- C48 H84 N6 Nb2 P4 Si8 -","- C192 H336 N24 Nb8 P16 Si32 -","4","1","","Michael D. Fryzuk; Christopher M. Kozak; Michael R. Bowdridge; Brian O. Patrick; Steven J. Rettig","Nitride Formation by Thermolysis of a Kinetically Stable Niobium Dinitrogen Complex","Journal of the American Chemical Society","2002","124","","8389","8397","10.1021/ja025997f","","","0.7107","MoKα","","0.1142","0.073","","0.1242","","0.1242","","","2.586","","","2.586","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114947","14.5273","0.0012","13.4604","0.0009","33.633","0.003","90","","99.36","0.004","90","","6489.1","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 N3 Nb P2 Si4 -","- C24 H41.727 N3 Nb P2 Si4 -","- C192 H333.816 N24 Nb8 P16 Si32 -","8","2","","Michael D. Fryzuk; Christopher M. Kozak; Michael R. Bowdridge; Brian O. Patrick; Steven J. Rettig","Nitride Formation by Thermolysis of a Kinetically Stable Niobium Dinitrogen Complex","Journal of the American Chemical Society","2002","124","","8389","8397","10.1021/ja025997f","","","0.71069","MoKα","","0.1007","0.0606","","","0.1409","0.1538","","","","","","1.007","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4114948","15.8295","0.0006","12.521","0.0004","19.466","0.001","90","","90","","90","","3858.2","0.3","198.2","","198.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H48 N2 Nb P2 Si4 -","- C32 H48 N2 Nb P2 Si4 -","- C128 H192 N8 Nb4 P8 Si16 -","4","1","","Michael D. Fryzuk; Christopher M. Kozak; Michael R. Bowdridge; Brian O. Patrick; Steven J. Rettig","Nitride Formation by Thermolysis of a Kinetically Stable Niobium Dinitrogen Complex","Journal of the American Chemical Society","2002","124","","8389","8397","10.1021/ja025997f","","","0.7107","MoKα","","0.048","0.027","","0.0702","","0.0702","","","0.826","","","0.826","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114949","9.9298","0.0001","12.9553","0.0001","20.4921","0.0003","85.1981","0.0004","88.5163","0.0004","72.341","0.0004","2503.14","0.05","200","","","","","","","","","","Local laboratory","7","P -1","-P 1","2","","","","- C58.5 H58 B Br Ni O2 P2 -","- C58.5 H58 B Br Ni O2 P2 -","- C117 H116 B2 Br2 Ni2 O4 P4 -","2","1","","Mikael Retbøll; Alison J. Edwards; A. David Rae; Anthony C. Willis; Martin A. Bennett; Eric Wenger","Preparation of Benzyne Complexes of Group 10 Metals by Intramolecular Suzuki Coupling of ortho-Metalated Phenylboronic Esters: Molecular Structure of the First Benzyne-Palladium(0) Complex","Journal of the American Chemical Society","2002","124","","8348","8360","10.1021/ja0264091","","","0.71073","MoKα","","","0.0286","","","","0.0318","","","","","","1.0706","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114950","20.3184","0.0003","22.7581","0.0004","10.587","0.0001","90","","90","","90","","4895.52","0.12","200","","200","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C48 H82 B Br O2 P2 Pd -","- C48 H82 B Br O2 P2 Pd -","- C192 H328 B4 Br4 O8 P8 Pd4 -","4","0.5","","Mikael Retbøll; Alison J. Edwards; A. David Rae; Anthony C. Willis; Martin A. Bennett; Eric Wenger","Preparation of Benzyne Complexes of Group 10 Metals by Intramolecular Suzuki Coupling of ortho-Metalated Phenylboronic Esters: Molecular Structure of the First Benzyne-Palladium(0) Complex","Journal of the American Chemical Society","2002","124","","8348","8360","10.1021/ja0264091","","","0.7107","MoKα","","0.064","0.049","","0.086","","0.077","","","2.1","","","1.993","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4114951","8.7037","0.0001","12.4606","0.0001","36.1403","0.0004","90","","94.6632","0.0005","90","","3906.56","0.07","200","","200","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H64 B Br O2 P2 Pd -","- C38 H64 B Br O2 P2 Pd -","- C152 H256 B4 Br4 O8 P8 Pd4 -","4","1","","Mikael Retbøll; Alison J. Edwards; A. David Rae; Anthony C. Willis; Martin A. Bennett; Eric Wenger","Preparation of Benzyne Complexes of Group 10 Metals by Intramolecular Suzuki Coupling of ortho-Metalated Phenylboronic Esters: Molecular Structure of the First Benzyne-Palladium(0) Complex","Journal of the American Chemical Society","2002","124","","8348","8360","10.1021/ja0264091","","","0.7107","MoKα","","0.0844","0.0631","","0.1397","","0.1135","","","2.5846","","","2.2637","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114952","9.9982","0.0001","28.9827","0.0003","15.1034","0.0002","90","","96.1217","0.0005","90","","4351.63","0.09","200","","","","","","","","","","Local laboratory","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H76 Ni P2 -","- C48 H73.5976 Ni P2 -","- C192 H294.39 Ni4 P8 -","4","1","","Mikael Retbøll; Alison J. Edwards; A. David Rae; Anthony C. Willis; Martin A. Bennett; Eric Wenger","Preparation of Benzyne Complexes of Group 10 Metals by Intramolecular Suzuki Coupling of ortho-Metalated Phenylboronic Esters: Molecular Structure of the First Benzyne-Palladium(0) Complex","Journal of the American Chemical Society","2002","124","","8348","8360","10.1021/ja0264091","","","0.71073","MoKα","","","0.0403","","","","0.0452","","","","","","1.0867","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114953","10.1512","0.0001","29.5301","0.0003","15.077","0.0002","90","","97.1577","0.0006","90","","4484.35","0.09","200","","200","","","","","","","","?","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H76 P2 Pd -","- C48 H76 P2 Pd -","- C192 H304 P8 Pd4 -","4","1","","Mikael Retbøll; Alison J. Edwards; A. David Rae; Anthony C. Willis; Martin A. Bennett; Eric Wenger","Preparation of Benzyne Complexes of Group 10 Metals by Intramolecular Suzuki Coupling of ortho-Metalated Phenylboronic Esters: Molecular Structure of the First Benzyne-Palladium(0) Complex","Journal of the American Chemical Society","2002","124","","8348","8360","10.1021/ja0264091","","","0.71073","MoKα","","","0.063","","","","0.035","","","","","","0.8962","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114954","13.9055","0.0002","19.0192","0.0002","24.0778","0.0003","80.6763","0.0005","85.7074","0.0004","89.8127","0.0006","6265.88","0.14","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C65 H108 P4 Pd2 -","- C65 H108 P4 Pd2 -","- C260 H432 P16 Pd8 -","4","2","","Mikael Retbøll; Alison J. Edwards; A. David Rae; Anthony C. Willis; Martin A. Bennett; Eric Wenger","Preparation of Benzyne Complexes of Group 10 Metals by Intramolecular Suzuki Coupling of ortho-Metalated Phenylboronic Esters: Molecular Structure of the First Benzyne-Palladium(0) Complex","Journal of the American Chemical Society","2002","124","","8348","8360","10.1021/ja0264091","","","0.7107","MoKα","","0.1276","0.0667","","0.1412","","0.1029","","","2.1163","","","1.8672","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114955","11.7245","0.0004","18.1595","0.0008","14.7765","0.0006","90","","99.223","0.002","90","","3105.4","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 P2 Pd -","- C38 H32 P2 Pd -","- C152 H128 P8 Pd4 -","4","1","","Mikael Retbøll; Alison J. Edwards; A. David Rae; Anthony C. Willis; Martin A. Bennett; Eric Wenger","Preparation of Benzyne Complexes of Group 10 Metals by Intramolecular Suzuki Coupling of ortho-Metalated Phenylboronic Esters: Molecular Structure of the First Benzyne-Palladium(0) Complex","Journal of the American Chemical Society","2002","124","","8348","8360","10.1021/ja0264091","","","0.7107","MoKα","","0.1119","0.0531","","0.0788","","0.0634","","","2.017","","","1.979","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114956","12.663","0.003","19.441","0.004","13.35","0.003","90","","117.49","0.03","90","","2915.4","1.4","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Ge N2 S -","- C30 H44 Ge N2 S -","- C120 H176 Ge4 N8 S4 -","4","1","","Yuqiang Ding; Qingjun Ma; Isabel Usón; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt","Synthesis and Structures of [{HC(CMeNAr)2}Ge(S)X] (Ar = 2,6-iPr2C6H3, X = F, Cl, Me): Structurally Characterized Examples with a Formal Double Bond between Group 14 and 16 Elements Bearing a Halide","Journal of the American Chemical Society","2002","124","","8542","8543","10.1021/ja017645z","","","0.71073","MoKα","","0.0448","0.0373","","","0.0975","0.1032","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114957","16.88","0.003","13.044","0.003","13.801","0.003","90","","108.57","0.03","90","","2880.5","1.2","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 Cl Ge N2 S -","- C29 H41 Cl Ge N2 S -","- C116 H164 Cl4 Ge4 N8 S4 -","4","1","","Yuqiang Ding; Qingjun Ma; Isabel Usón; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt","Synthesis and Structures of [{HC(CMeNAr)2}Ge(S)X] (Ar = 2,6-iPr2C6H3, X = F, Cl, Me): Structurally Characterized Examples with a Formal Double Bond between Group 14 and 16 Elements Bearing a Halide","Journal of the American Chemical Society","2002","124","","8542","8543","10.1021/ja017645z","","","0.71073","MoKα","","0.0369","0.0312","","","0.0699","0.0721","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114958","13.467","0.002","16.804","0.003","15.668","0.003","90","","92.783","0.016","90","","3541.5","1.1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H49 F Ge N2 S -","- C36 H49 F Ge N2 S -","- C144 H196 F4 Ge4 N8 S4 -","4","1","","Yuqiang Ding; Qingjun Ma; Isabel Usón; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt","Synthesis and Structures of [{HC(CMeNAr)2}Ge(S)X] (Ar = 2,6-iPr2C6H3, X = F, Cl, Me): Structurally Characterized Examples with a Formal Double Bond between Group 14 and 16 Elements Bearing a Halide","Journal of the American Chemical Society","2002","124","","8542","8543","10.1021/ja017645z","","","0.71073","MoKα","","0.0551","0.0469","","","0.1239","0.1318","","","","","","1.024","","","","has coordinates","189828","2020-10-21","18:00:00",""
"4114959","22.793","0.001","20.785","0.001","24.747","0.001","90","","106.387","0.003","90","","11247.7","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C368 H152 Cl16 Cr4 -","- C368 H152 Cl16 Cr4 -","- C736 H304 Cl32 Cr8 -","2","1","","Dmitri V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Gunzi Saito","The Reversible Formation of a Single-Bonded (C60-)2 Dimer in Ionic Charge Transfer Complex: Cp*2Cr.C60(C6H4Cl2)2. The Molecular Structure of (C60-)2","Journal of the American Chemical Society","2002","124","","8520","8521","10.1021/ja0202614","","","0.71073","MoKα","","0.0812","0.0508","","","0.1239","0.1469","","","","","","1.015","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4114960","8.165","0.002","16.293","0.002","17.512","0.003","90","","90","","90","","2329.7","0.8","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 N2 O4 -","- C25 H36 N2 O4 -","- C100 H144 N8 O16 -","4","1","","John M. Humphrey; Yusheng Liao; Amjad Ali; Tobias Rein; Yue-Ling Wong; Hui-Ju Chen; Anne K. Courtney; Stephen F. Martin","Enantioselective Total Syntheses of Manzamine A and Related Alkaloids","Journal of the American Chemical Society","2002","124","","8584","8592","10.1021/ja0202964","","","0.71073","MoKα","","0.1819","0.0699","","0.1469","0.1039","","","","1","1.094","1.094","","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114961","17.598","0.002","8.93","0.001","13.646","0.002","90","","101.92","0.01","90","","2098.2","0.5","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20.3 H30.3 I N2 O0.3 -","- C20.3 I N2 O0.3 -","- C81.2 I4 N8 O1.2 -","4","1","","John M. Humphrey; Yusheng Liao; Amjad Ali; Tobias Rein; Yue-Ling Wong; Hui-Ju Chen; Anne K. Courtney; Stephen F. Martin","Enantioselective Total Syntheses of Manzamine A and Related Alkaloids","Journal of the American Chemical Society","2002","124","","8584","8592","10.1021/ja0202964","","","0.71073","MoKα","","0.108","0.0938","","","0.126","0.152","","","","","","2.62","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114962","9.908","0.004","10.763","0.004","38.02","0.02","90","","90","","90","","4054","3","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H31.6 I N2 O1.3 -","- C21 I N2 O1.3 -","- C168 I8 N16 O10.4 -","8","1","","John M. Humphrey; Yusheng Liao; Amjad Ali; Tobias Rein; Yue-Ling Wong; Hui-Ju Chen; Anne K. Courtney; Stephen F. Martin","Enantioselective Total Syntheses of Manzamine A and Related Alkaloids","Journal of the American Chemical Society","2002","124","","8584","8592","10.1021/ja0202964","","","0.71073","MoKα","","","0.0486","","","0.0513","","","","","","","1.428","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114963","17.2489","0.0005","17.2489","0.0005","24.0303","0.0008","90","","90","","90","","7149.6","0.4","150","2","150","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C72 H88 F N5 O8 -","- C72 H88 F N5 O8 -","- C288 H352 F4 N20 O32 -","4","0.25","","Christopher J. Woods; Salvatore Camiolo; Mark E. Light; Simon J. Coles; Michael B. Hursthouse; Michael A. King; Philip A. Gale; Jonathan W. Essex","Fluoride-Selective Binding in a New Deep Cavity Calix[4]pyrrole: Experiment and Theory","Journal of the American Chemical Society","2002","124","","8644","8652","10.1021/ja025572t","","","0.71073","MoKα","","0.1244","0.1126","","","0.3421","0.3517","","","","","","1.503","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4114964","11.3723","0.0016","11.3723","0.0016","21.02","0.004","90","","90","","90","","2718.5","0.7","150","2","150","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C62 H61 N7 O8 -","- C62 H61 N7 O8 -","- C124 H122 N14 O16 -","2","0.25","","Christopher J. Woods; Salvatore Camiolo; Mark E. Light; Simon J. Coles; Michael B. Hursthouse; Michael A. King; Philip A. Gale; Jonathan W. Essex","Fluoride-Selective Binding in a New Deep Cavity Calix[4]pyrrole: Experiment and Theory","Journal of the American Chemical Society","2002","124","","8644","8652","10.1021/ja025572t","","","0.71073","MoKα","","0.099","0.0518","","","0.1258","0.1511","","","","","","1.018","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114965","10.9651","0.0004","15.8166","0.0005","27.5663","0.0009","90","","95.869","0.001","90","","4755.8","0.3","158.2","","158.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51.5 H59 F3 N2 O3 S Ta -","- C53 H59 F3 N2 O3 S Ta -","- C212 H236 F12 N8 O12 S4 Ta4 -","4","1","","John Gavenonis; T. Don Tilley","Reversible Intramolecular Hydride Transfer between Tantalum and an Aromatic Ring: An η5-Cyclohexadienyl Complex as a Masked Hydride","Journal of the American Chemical Society","2002","124","","8536","8537","10.1021/ja025684k","","","0.7107","MoKα","","0.0714","0.0343","","0.0455","0.0357","0.0357","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114966","15.794","0.0008","15.794","0.0008","15.1279","0.0012","90","","90","","90","","3773.7","0.4","183","2","183","2","","","","","","","","5","P 43","P 4cw","78","","","","- C15 H24 N2 O8 S -","- C15 H24 N2 O8 S -","- C120 H192 N16 O64 S8 -","8","2","","Peter Tremmel; Armin Geyer","An Oligomeric Ser-Pro Dipeptide Mimetic Assuming the Polyproline II Helix Conformation","Journal of the American Chemical Society","2002","124","","8548","8549","10.1021/ja026098u","","","0.71073","MoKα","","0.1468","0.0586","","","0.1033","0.1267","","","","","","1.009","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114967","10.3795","0.0001","12.4469","0.0001","29.6317","0.0002","90","","95.2206","0.0003","90","","3812.32","0.05","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R)-2-endo-[(3S)-3-tert-butoxycarbonylamino-5- (2:3,4:6-di-O-isopropyliden-α-D-glucopyranosylpentanoyl]-2- exo-trimethylsilyloxy-1,7,7-trimethylbicyclo[2.2.1]heptane","","- C35 H61 N O9 Si -","- C35 H61 N O9 Si -","- C140 H244 N4 O36 Si4 -","4","2","","Claudio Palomo; Mikel Oiarbide; Aitor Landa; M. Concepción González-Rego; Jesús M. García; Alberto González; José M. Odriozola; Manuel Martín-Pastor; Anthony Linden","Design and Synthesis of a Novel Class of Sugar-Peptide Hybrids: C-Linked Glyco β-Amino Acids through a Stereoselective ""Acetate"" Mannich Reaction as the Key Strategic Element","Journal of the American Chemical Society","2002","124","","8637","8643","10.1021/ja026250s","","","0.71073","MoKα","","0.0936","0.0419","","0.0367","0.032","0.032","","","1.299","","","1.46","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114968","20.648","0.004","15.622","0.002","16.294","0.003","90","","90","","90","","5255.8","1.6","91","2","91","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","(Dipp*In)2","","","- C60 H74 In2 -","- C120 H148 In4 -","- C240 H296 In8 -","2","0.25","","Robert J. Wright; Andrew D. Phillips; Ned J. Hardman; Philip P. Power","The ""Diindene"" ArInInAr (Ar = C6H3-2,6-Dipp2, Dipp = C6H3-2,6-Pri2). Dimeric versus Monomeric In(I) Aryls: para-Substituent Effects in Terphenyl Ligands","Journal of the American Chemical Society","2002","124","","8538","8539","10.1021/ja026285s","","","0.71073","MoKα","","0.0619","0.0463","","","0.1172","0.1251","","","","","","1.494","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114969","17.2344","0.0009","23.2126","0.0012","22.2382","0.0012","90","","102.738","0.004","90","","8677.6","0.8","91","2","91","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dipp*InBArF","","","- C48 H37 B F15 In -","- C48 H37 B F15 In -","- C384 H296 B8 F120 In8 -","8","2","","Robert J. Wright; Andrew D. Phillips; Ned J. Hardman; Philip P. Power","The ""Diindene"" ArInInAr (Ar = C6H3-2,6-Dipp2, Dipp = C6H3-2,6-Pri2). Dimeric versus Monomeric In(I) Aryls: para-Substituent Effects in Terphenyl Ligands","Journal of the American Chemical Society","2002","124","","8538","8539","10.1021/ja026285s","","","0.71073","MoKα","","0.0686","0.0401","","","0.0796","0.0966","","","","","","1.058","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114970","12.7252","0.0011","20.684","0.002","21.7198","0.0018","90","","106.729","0.003","90","","5474.9","0.8","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","B*InBArF","","","- C61 H57 B F15 In -","- C61 H57 B F15 In -","- C244 H228 B4 F60 In4 -","4","1","","Robert J. Wright; Andrew D. Phillips; Ned J. Hardman; Philip P. Power","The ""Diindene"" ArInInAr (Ar = C6H3-2,6-Dipp2, Dipp = C6H3-2,6-Pri2). Dimeric versus Monomeric In(I) Aryls: para-Substituent Effects in Terphenyl Ligands","Journal of the American Chemical Society","2002","124","","8538","8539","10.1021/ja026285s","","","0.71073","MoKα","","0.0458","0.0338","","","0.0894","0.0984","","","","","","0.898","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4114971","14.9505","0.0008","9.4316","0.0004","23.3019","0.0013","90","","96.38","0.02","90","","3265.4","0.3","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Rh6(CO)14(Ppy3)","","","- C26 H12 N3 O14 P Rh6 -","- C26 H12 N3 O14 P Rh6 -","- C104 H48 N12 O56 P4 Rh24 -","4","1","","Claudia Babij; C. Scott Browning; David H. Farrar; Igor O. Koshevoy; Ivan S. Podkorytov; Anthony J. Poë; Sergey P. Tunik","Tripyrrolylphosphine as a Unique Bridging Ligand in the Rh6(CO)14(μ2-P(NC4H4)3) Cluster: Structure, Bonding, Fluxionality, Thermodynamics, and Kinetics Studies","Journal of the American Chemical Society","2002","124","","8922","8931","10.1021/ja012440b","","","0.71073","MoKα","","0.0813","0.0495","","","0.1227","0.1312","","","","","","1.076","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114972","15.661","0.0012","17.337","0.0012","23.302","0.002","87.001","0.005","87.703","0.004","83.786","0.004","6277.3","0.8","120","","120","","","","","","","","","7","P -1","-P 1","2","","5-Iodo-2,4,6,8,9,10-hexakis(tri-tert-butylsilyl)heptacyclo-[4.4.0.0^1,3^.0^2,5^.0^3,9^.0^4,7^.0^8,10^]decagerman-7-yliumtetrakis(2,3,5,6-tetrafluorophenyl)borate","","- C103 H174 B F16 Ge10 I Si6 -","- C103 H174 B F16 Ge10 I Si6 -","- C206 H348 B2 F32 Ge20 I2 Si12 -","2","1","","Akira Sekiguchi; Yutaka Ishida; Yoshio Kabe; Masaaki Ichinohe","The Cation Cluster of Heavier Group 14 Elements: A Free Germyl Cation with Trishomoaromaticity","Journal of the American Chemical Society","2002","124","","8776","8777","10.1021/ja020395h","","","0.7107","MoKα","","0.1721","0.0839","","","0.1898","0.2377","","","","","","1.057","","","","has coordinates","211398","2020-10-21","18:00:00",""
"4114973","8.571","0.005","10.465","0.005","9.368","0.004","90","0","97.075","0.02","90","0","833.9","0.7","298","","","","","","","","","","Local laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C40 H36 O8 -","2","0.5","","Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto","Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions","Journal of the American Chemical Society","2002","124","","8891","8902","10.1021/ja0205333","","","0.71073","xray","","","0.0632","","","0.1106","","","","","2.723","2.723","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114974","8.0986","0.0001","5.4164","0.0003","13.8414","0.0005","90","","101.047","0.002","90","","595.91","0.04","203.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 Cl2 O4 -","- C10 H12 Cl2 O4 -","- C20 H24 Cl4 O8 -","2","0.5","","Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto","Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions","Journal of the American Chemical Society","2002","124","","8891","8902","10.1021/ja0205333","","","0.7107","MoKα","","","0.058","","","","0.126","","","","","","1.528","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114975","8.3045","0.0009","5.5002","0.0007","13.84","0.002","90","","95.622","0.008","90","","629.12","0.14","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 Br2 O4 -","- C10 H12 Br2 O4 -","- C20 H24 Br4 O8 -","2","0.5","","Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto","Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions","Journal of the American Chemical Society","2002","124","","8891","8902","10.1021/ja0205333","","","0.7107","MoKα","","","0.041","","","","0.071","","","","","","0.921","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114976","9.152","0.022","5.706","0.006","16.959","0.024","90","0","104.683","0.06","90","0","857","3","298","","","","","","","","","","Local laboratory","3","P 1 21 1","P 2yb","4","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C40 H36 O8 -","2","1","","Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto","Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions","Journal of the American Chemical Society","2002","124","","8891","8902","10.1021/ja0205333","","","0.71073","xray","","","0.0385","","","0.0402","","","","","1.06","1.06","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114977","5.766","0.002","8.861","0.01","32.978","0.018","90","0","90","0","90","0","1685","2","298","","","","","","","","","","Local laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto","Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions","Journal of the American Chemical Society","2002","124","","8891","8902","10.1021/ja0205333","","","0.71073","xray","","","0.0387","","","0.0393","","","","","1.673","1.673","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114978","6.015","0.004","8.415","0.005","18.08","0.005","90","","90.99","0.05","90","","915","0.9","243.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Cl2 O4 -","- C20 H16 Cl2 O4 -","- C40 H32 Cl4 O8 -","2","0.5","","Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto","Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions","Journal of the American Chemical Society","2002","124","","8891","8902","10.1021/ja0205333","","","0.7107","MoKα","","","0.069","","","","0.104","","","","","","1.246","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114979","9.373","0.002","10.665","0.002","9.906","0.002","90","","112.54","0.02","90","","914.6","0.3","233.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H16 Cl2 O4 -","- C20 H16 Cl2 O4 -","- C40 H32 Cl4 O8 -","2","0.5","","Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto","Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions","Journal of the American Chemical Society","2002","124","","8891","8902","10.1021/ja0205333","","","0.7107","MoKα","","","0.042","","","","0.065","","","","","","0.821","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114980","23.593","0.003","5.6741","0.0008","16.123","0.002","90","","114.22","0.003","90","","1968.4","0.4","296.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Br2 O4 -","- C20 H16 Br2 O4 -","- C80 H64 Br8 O16 -","4","0.5","","Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto","Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions","Journal of the American Chemical Society","2002","124","","8891","8902","10.1021/ja0205333","","","0.7107","MoKα","","","0.083","","","","0.142","","","","","","1.624","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114981","8.458","0.002","13.544","0.003","4.0436","0.0005","93.971","0.007","101.29","0.01","78.737","0.008","445.27","0.16","296.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 Cl2 O4 -","- C20 H16 Cl2 O4 -","- C20 H16 Cl2 O4 -","1","0.5","","Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto","Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions","Journal of the American Chemical Society","2002","124","","8891","8902","10.1021/ja0205333","","","0.7107","MoKα","","","0.052","","","","0.091","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114982","5.629","0.0057","5.122","0.0058","32.082","0.0248","90","0","93.712","0.001","90","0","923","1.6","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl2 O4 -","- C20 H16 Cl2 O4 -","- C40 H32 Cl4 O8 -","2","0.5","","Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto","Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions","Journal of the American Chemical Society","2002","124","","8891","8902","10.1021/ja0205333","","","0.71073","xray","","","0.0808","","","0.0795","","","","","1.763","1.763","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114983","5.6457","0.0002","5.0639","0.0003","31.685","0.002","90","","92.746","0.004","90","","904.81","0.08","296.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl2 O4 -","- C20 H16 Cl2 O4 -","- C40 H32 Cl4 O8 -","2","0.5","","Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto","Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions","Journal of the American Chemical Society","2002","124","","8891","8902","10.1021/ja0205333","","","0.7107","MoKα","","","0.07","","","","0.162","","","","","","1.583","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114984","5.6796","0.0003","4.8631","0.0001","32.097","0.001","90","","90.185","0.002","90","","886.53","0.06","296.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl2 O4 -","- C20 H16 Cl2 O4 -","- C40 H32 Cl4 O8 -","2","0.5","","Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto","Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions","Journal of the American Chemical Society","2002","124","","8891","8902","10.1021/ja0205333","","","0.7107","MoKα","","","0.066","","","","0.17","","","","","","1.698","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114985","11.459","0.005","4.112","0.006","18.704","0.005","90","","96.45","0.03","90","","875.7","1.4","296.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F2 O4 -","- C20 H16 F2 O4 -","- C40 H32 F4 O8 -","2","0.5","","Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto","Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions","Journal of the American Chemical Society","2002","124","","8891","8902","10.1021/ja0205333","","","0.7107","MoKα","","","0.05","","","","0.078","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114986","5.683","0.0126","5.206","0.0122","32.256","0.0726","90","0","92.95","0.001","90","0","953","4","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br2 O4 -","- C20 H16 Br2 O4 -","- C40 H32 Br4 O8 -","2","0.5","","Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto","Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions","Journal of the American Chemical Society","2002","124","","8891","8902","10.1021/ja0205333","","","0.71073","xray","","","0.083","","","0.0935","","","","","4.038","4.038","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114987","8.049","0.001","5.6585","0.0006","21.477","0.003","90","","96.97","0.003","90","","970.9","0.2","296.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Br2 O4 -","- C20 H16 Br2 O4 -","- C40 H32 Br4 O8 -","2","0.5","","Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto","Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions","Journal of the American Chemical Society","2002","124","","8891","8902","10.1021/ja0205333","","","0.7107","MoKα","","","0.049","","","","0.091","","","","","","1.127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114988","5.4658","0.0005","7.6205","0.0004","11.7151","0.0007","103.828","0.006","91.99","0.003","101.947","0.004","461.73","0.06","296.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C22 H22 O4 -","1","0.5","","Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto","Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions","Journal of the American Chemical Society","2002","124","","8891","8902","10.1021/ja0205333","","","0.7107","MoKα","","","0.082","","","","0.13","","","","","","1.517","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114989","12.32","0.01","16.69","0.01","8.076","0.003","90.04","0.05","94.64","0.05","90.11","0.07","1655.1","1.8","298","","","","","","","","","","Local laboratory","3","P 1 21/a 1","-P 2yab","14","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","","Ken Kokubo; Hiroshi Yamaguchi; Tatsuya Kawamoto; Takumi Oshima","Substituent Effects on the Stereochemistry in the [2 + 2] Photocycloaddition Reaction of Homobenzoquinone Derivative with Variously Substituted Alkenes and Alkynes","Journal of the American Chemical Society","2002","124","","8912","8921","10.1021/ja025593n","","","0.71073","MoK-alpha","","","0.054","","","0.057","","","","","1.215","1.215","","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114990","21.495","0.009","12.48","0.007","8.88","0.01","90","","92.5","0.06","90","","2380","3","298","","","","","","","","","","Local laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 O3 -","- C30 H28 O3 -","- C120 H112 O12 -","4","1","","Ken Kokubo; Hiroshi Yamaguchi; Tatsuya Kawamoto; Takumi Oshima","Substituent Effects on the Stereochemistry in the [2 + 2] Photocycloaddition Reaction of Homobenzoquinone Derivative with Variously Substituted Alkenes and Alkynes","Journal of the American Chemical Society","2002","124","","8912","8921","10.1021/ja025593n","","","0.71073","MoK-alpha","","","0.088","","","0.103","","","","","1.639","1.639","","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114991","10.8087","0.0005","27.45","0.002","14.9497","0.0009","90","","99.183","0.002","90","","4378.7","0.5","296.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 O2 -","- C27 H30 O2 -","- C216 H240 O16 -","8","2","","Ken Kokubo; Hiroshi Yamaguchi; Tatsuya Kawamoto; Takumi Oshima","Substituent Effects on the Stereochemistry in the [2 + 2] Photocycloaddition Reaction of Homobenzoquinone Derivative with Variously Substituted Alkenes and Alkynes","Journal of the American Chemical Society","2002","124","","8912","8921","10.1021/ja025593n","","","0.7107","MoKα","","","0.056","","","","0.1525","","","","","","0.744","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114992","31.537","0.003","8.8546","0.0008","23.933","0.002","90","","110.637","0.002","90","","6254.4","1","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Eu2 F6 N12 O15 S2 -","- C66 H42 Eu2 F6 N12 O15 S2 -","- C264 H168 Eu8 F24 N48 O60 S8 -","4","0.5","","Yann Bretonnière; Marinella Mazzanti; Jacques Pécaut; Marilyn M. Olmstead","Cation-Controlled Self-Assembly of a Hexameric Europium Wheel","Journal of the American Chemical Society","2002","124","","9012","9013","10.1021/ja012177e","","","0.71073","MoKα","","0.0802","0.0385","","","0.0873","0.1106","","","","","","1.004","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114993","22.9958","0.0007","22.9958","0.0007","31.3192","0.0017","90","","90","","120","","14342.9","1","223","2","223","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C221 H150 Eu7 F27 N46 O51 S9 -","- C218.07 H120 Eu7 F15 N46.05 O45.02 S8.97 -","- C436.14 H240 Eu14 F30 N92.1 O90.04 S17.94 -","2","0.166667","","Yann Bretonnière; Marinella Mazzanti; Jacques Pécaut; Marilyn M. Olmstead","Cation-Controlled Self-Assembly of a Hexameric Europium Wheel","Journal of the American Chemical Society","2002","124","","9012","9013","10.1021/ja012177e","","","0.71073","MoKα","","0.1466","0.0607","","","0.1934","0.2288","","","","","","1.005","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4114994","7.784","0.008","8.201","0.008","10.38","0.01","90","","90","","96.55","0.05","658.3","1.1","293","2","293","2","","","","","","","","3","P 1 1 21","P 2c","4","cellulose","","","- C12 H14 O10 -","- C12 H14 O10 -","- C24 H28 O20 -","2","1","","Yoshiharu Nishiyama; Paul Langan; Henri Chanzy","Crystal Structure and Hydrogen-Bonding System in Cellulose Iβ from Synchrotron X-ray and Neutron Fiber Diffraction","Journal of the American Chemical Society","2002","124","","9074","9082","10.1021/ja0257319","","","0.7208","","","0.191","0.1857","","","0.4182","0.4242","","","","","","3.999","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114995","7.784","0.008","8.201","0.008","10.38","0.01","90","","90","","96.55","0.05","658.3","1.1","293","2","293","2","","","","","","","","4","P 1 1 21","P 2c","4","","","","- C12 H14 D10 O6 -","- C12 H14 D6 O10 -","- C24 H28 D12 O20 -","2","1","","Yoshiharu Nishiyama; Paul Langan; Henri Chanzy","Crystal Structure and Hydrogen-Bonding System in Cellulose Iβ from Synchrotron X-ray and Neutron Fiber Diffraction","Journal of the American Chemical Society","2002","124","","9074","9082","10.1021/ja0257319","","","1.3058","","","0.2664","0.2095","","","0.417","0.4272","","","","","","1.332","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114996","16.1816","0.0004","15.9178","0.0004","29.4907","0.0008","90","","91.4768","0.001","90","","7593.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tungsten sulfide cluster","octakis(mu!3$-sulfido)-pentakis(tert-butylpyridine)-triethylphosphine- hexa-tungsten bezene solvate","","- C68 H97 N5 P S8 W6 -","- C67.92 H96.92 N5 P S8 W6 -","- C271.68 H387.68 N20 P4 S32 W24 -","4","1","","Song Jin; Jennifer Adamchuk; Bosong Xiang; Francis J. DiSalvo","The Dean-Evans Relation in 31P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters","Journal of the American Chemical Society","2002","124","","9229","9240","","","","0.71073","MoKα","","0.1579","0.0571","","0.166","0.1122","","","","1.099","1.205","1.205","","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4114997","15.0562","0.001","16.2762","0.001","20.488","0.0013","88.98","0.002","74.256","0.002","78.297","0.002","4728.2","0.5","446","2","446","2","","","","","","","","5","P -1","-P 1","2","Tungsten sulfide cluster with mixed","octakis(mu!3$-sulfido)-mer-tris(triethylphosphine) -tris(tricyclohexylphosphine)-hexa-tungsten","","- C84 H156 P6 S8 W6 -","- C84 H156 P6 S8 W6 -","- C168 H312 P12 S16 W12 -","2","1","","Song Jin; Jennifer Adamchuk; Bosong Xiang; Francis J. DiSalvo","The Dean-Evans Relation in 31P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters","Journal of the American Chemical Society","2002","124","","9229","9240","10.1021/ja0257873","","","0.71073","MoKα","","0.1227","0.0498","","0.1122","0.078","","","","0.967","1.064","1.064","","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114998","14.8422","0.0005","12.5791","0.0005","24.829","0.001","90","","90","","90","","4635.6","0.3","296.2","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H27 Cl N2 O6 -","- C21 H27 Cl N2 O6 -","- C168 H216 Cl8 N16 O48 -","8","2","","Shunichi Fukuzumi; Osamu Inada; Naoya Satoh; Tomoyoshi Suenobu; Hiroshi Imahori","Significant Enhancement of Electron Transfer Reduction of NAD+ Analogues by Complexation with Scandium Ion and the Detection of the Radical Intermediate-Scandium Ion Complex","Journal of the American Chemical Society","2002","124","","9181","9188","10.1021/ja0260364","","","0.7107","MoKα","","","0.0775","","","","0.1891","","","","","","1.313","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114999","13.8859","0.0017","7.2451","0.0009","9.2462","0.0011","90","","90","","90","","930.2","0.2","90","1","90","1","","","","","","","","6","P n m a","-P 2ac 2n","62","trans-[Ru(II)(NH3)4Cl(SO2)]Cl","trans-Tetraamminechloro(sulfur dioxide)ruthenium(II) chloride","","- Cl2 H12 N4 O2 Ru S -","- Cl2 H12 N4 O2 Ru S -","- Cl8 H48 N16 O8 Ru4 S4 -","4","0.5","","Andrey Yu. Kovalevsky; Kimberly A. Bagley; Philip Coppens","The First Photocrystallographic Evidence for Light-Induced Metastable Linkage Isomers of Ruthenium Sulfur Dioxide Complexes","Journal of the American Chemical Society","2002","124","","9241","9248","10.1021/ja026045c","","","0.71073","MoKα","","0.0494","0.0353","","","0.0682","0.0734","","","","","","1.278","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115000","13.8336","0.0008","7.2918","0.0004","9.2037","0.0006","90","","90","","90","","928.39","0.1","90","1","90","1","","","","","","","","6","P n m a","-P 2ac 2n","62","trans-[Ru(II)(NH3)4Cl(SO2)]Cl","trans-Tetraamminechloro(sulfur dioxide)ruthenium(II) chloride","","- Cl2 H12 N4 O2 Ru S -","- Cl2 H12 N4 O2 Ru S -","- Cl8 H48 N16 O8 Ru4 S4 -","4","0.5","","Andrey Yu. Kovalevsky; Kimberly A. Bagley; Philip Coppens","The First Photocrystallographic Evidence for Light-Induced Metastable Linkage Isomers of Ruthenium Sulfur Dioxide Complexes","Journal of the American Chemical Society","2002","124","","9241","9248","10.1021/ja026045c","","","0.71073","MoKα","","0.0389","0.0299","","","0.0666","0.0696","","","","","","1.286","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115001","7.0137","0.0002","12.8351","0.0004","12.9606","0.0004","111.327","0.001","90.387","0.001","101.198","0.001","1062.31","0.06","90","1","90","1","","","","","","","","6","P -1","-P 1","2","trans-[Ru(II)(NH3)4(H2O)(SO2)](C6H5SO3)2","trans-Tetraammineaquo(sulfur dioxide)ruthenium(II) benzene sulfonate","","- C12 H24 N4 O9 Ru S3 -","- C12 H24 N4 O9 Ru S3 -","- C24 H48 N8 O18 Ru2 S6 -","2","1","","Andrey Yu. Kovalevsky; Kimberly A. Bagley; Philip Coppens","The First Photocrystallographic Evidence for Light-Induced Metastable Linkage Isomers of Ruthenium Sulfur Dioxide Complexes","Journal of the American Chemical Society","2002","124","","9241","9248","10.1021/ja026045c","","","0.71073","MoKα","","0.0432","0.0351","","","0.0704","0.0746","","","","","","1.149","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115002","7.0244","0.0002","12.8381","0.0003","13.0303","0.0003","111.581","0.001","90.336","0.001","101.447","0.001","1066.95","0.05","90","1","90","1","","","","","","","","6","P -1","-P 1","2","trans-[Ru(II)(NH3)4(H2O)(SO2)](C6H5SO3)2","trans-Tetraammineaquo(sulfur dioxide)ruthenium(II) benzene sulfonate","","- C12 H24 N4 O9 Ru S3 -","- C12 H23.78 N4 O9 Ru S3 -","- C24 H47.56 N8 O18 Ru2 S6 -","2","1","","Andrey Yu. Kovalevsky; Kimberly A. Bagley; Philip Coppens","The First Photocrystallographic Evidence for Light-Induced Metastable Linkage Isomers of Ruthenium Sulfur Dioxide Complexes","Journal of the American Chemical Society","2002","124","","9241","9248","10.1021/ja026045c","","","0.71073","MoKα","","0.0521","0.0406","","","0.087","0.0927","","","","","","1.333","","","","has coordinates,has disorder","178921","2020-10-21","18:00:00",""
"4115003","10.1721","0.0006","24.0538","0.0015","12.9207","0.0008","90","","101.93","0.001","90","","3093.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H32.5 Cl9.5 N4 Zn -","- C19.5 H32.5 Cl9.5 N4 Zn -","- C78 H130 Cl38 N16 Zn4 -","4","1","","Xiangyang Liang; John A. Parkinson; Michael Weishäupl; Robert O. Gould; Stephen J. Paisey; Hye-seo Park; Tina M. Hunter; Claudia A. Blindauer; Simon Parsons; Peter J. Sadler","Structure and Dynamics of Metallomacrocycles: Recognition of Zinc Xylyl-Bicyclam by an HIV Coreceptor","Journal of the American Chemical Society","2002","124","","9105","9112","10.1021/ja0260723","","","0.71073","MoKα","","0.0549","0.0435","","","0.1261","0.1307","","","","","","1.123","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4115004","9.6516","0.0019","10.089","0.002","14.429","0.003","105.741","0.003","101.629","0.003","94.304","0.004","1312","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H74 N8 O8 Zn2 -","- C38 H74 N8 O10 Zn2 -","- C38 H74 N8 O10 Zn2 -","1","0.5","","Xiangyang Liang; John A. Parkinson; Michael Weishäupl; Robert O. Gould; Stephen J. Paisey; Hye-seo Park; Tina M. Hunter; Claudia A. Blindauer; Simon Parsons; Peter J. Sadler","Structure and Dynamics of Metallomacrocycles: Recognition of Zinc Xylyl-Bicyclam by an HIV Coreceptor","Journal of the American Chemical Society","2002","124","","9105","9112","10.1021/ja0260723","","","0.71073","MoKα","","0.0593","0.0471","","","0.1122","0.1159","","","","","","0.929","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115005","8.5829","0.001","9.7811","0.0012","11.6962","0.0014","83.521","0.002","86.559","0.002","89.682","0.002","973.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H34 N4 O6 Pd -","- C14 H34 N4 O6 Pd -","- C28 H68 N8 O12 Pd2 -","2","1","","Xiangyang Liang; John A. Parkinson; Michael Weishäupl; Robert O. Gould; Stephen J. Paisey; Hye-seo Park; Tina M. Hunter; Claudia A. Blindauer; Simon Parsons; Peter J. Sadler","Structure and Dynamics of Metallomacrocycles: Recognition of Zinc Xylyl-Bicyclam by an HIV Coreceptor","Journal of the American Chemical Society","2002","124","","9105","9112","10.1021/ja0260723","","","0.71073","MoKα","","0.0608","0.0428","","","0.094","0.1014","","","","","","1.038","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115006","8.7517","0.0002","11.3891","0.0002","12.1388","0.0001","72.591","0.001","79.509","0.001","75.557","0.001","1110.43","0.03","159.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Ir N2 O -","- C25 H29 Ir N2 O -","- C50 H58 Ir2 N4 O2 -","2","1","","Andrew W. Holland; Robert G. Bergman","Heterocumulene Metathesis by Iridium Guanidinate and Ureylene Complexes: Catalysis Involving Reversible Insertion To Form Six-Membered Metallacycles","Journal of the American Chemical Society","2002","124","","9010","9011","10.1021/ja026178y","","","0.7107","MoKα","","","0.0222","","","","0.027","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115007","22.133","0.003","8.1435","0.0012","22.136","0.003","90","","107.488","0.003","90","","3805.4","0.9","293","2","293","2","","","","","","","","4","I 1 2 1","I 2y","5","Indene 3c","","","- C22 H12 F8 N2 -","- C22 H12 F8 N2 -","- C176 H96 F64 N16 -","8","2","","Igor V. Alabugin; Serguei V. Kovalenko","C1-C5 Photochemical Cyclization of Enediynes","Journal of the American Chemical Society","2002","124","","9052","9053","10.1021/ja026630d","","","0.71073","MoKα","","0.097","0.0551","","","0.1134","0.1314","","","","","","0.917","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115008","14.4878","0.0008","14.4878","0.0008","16.3787","0.0009","90","","90","","90","","3437.8","0.3","213","2","213","2","","","","","","","synthesis","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C28 H48 B Cl F4 Mo2 N12 -","- C28 H48 B Cl F4 Mo2 N12 -","- C112 H192 B4 Cl4 F16 Mo8 N48 -","4","0.25","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Daren J. Timmons; Chad C. Wilkinson","The Extraordinary Ability of Guanidinate Derivatives to Stabilize Higher Oxidation Numbers in Dimetal Units by Modification of Redox Potentials: Structures of Mo25+ and Mo26+ Compounds","Journal of the American Chemical Society","2002","124","","9249","9256","10.1021/ja0266464","","","0.71073","MoKα","","0.0704","0.0382","","0.1353","0.0973","","","","1.161","1.112","1.112","","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115009","13.561","0.011","13.561","0.011","8.533","0.0003","90","","90","","90","","1569.2","1.8","213","2","213","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C28 H48 Cl Mo2 N12 -","- C28 H48 Cl Mo2 N12 -","- C56 H96 Cl2 Mo4 N24 -","2","0.25","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Daren J. Timmons; Chad C. Wilkinson","The Extraordinary Ability of Guanidinate Derivatives to Stabilize Higher Oxidation Numbers in Dimetal Units by Modification of Redox Potentials: Structures of Mo25+ and Mo26+ Compounds","Journal of the American Chemical Society","2002","124","","9249","9256","10.1021/ja0266464","","","0.71073","MoKα","","0.0639","0.0531","","0.1128","0.1032","","","","1.213","1.221","1.221","","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115010","13.6912","0.0008","13.6912","0.0008","20.4755","0.0012","90","","90","","90","","3838.1","0.4","213","2","213","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C30 H52 Cl5 Mo2 N12 -","- C30 H52 Cl5 Mo2 N12 -","- C120 H208 Cl20 Mo8 N48 -","4","0.25","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Daren J. Timmons; Chad C. Wilkinson","The Extraordinary Ability of Guanidinate Derivatives to Stabilize Higher Oxidation Numbers in Dimetal Units by Modification of Redox Potentials: Structures of Mo25+ and Mo26+ Compounds","Journal of the American Chemical Society","2002","124","","9249","9256","10.1021/ja0266464","","","0.71073","MoKα","","0.0273","0.0227","","","0.0569","0.0622","","","","","","1.107","","","","has coordinates,has disorder","178921","2020-10-21","18:00:00",""
"4115011","8.66","0.006","38.787","0.026","56.28","0.037","90","","90","","90","","18904","2","129","2","129","2","","","","","","","synthetic","6","F d d d :2","-F 2uv 2vw","70","","","","- C48 H144 Cl9 N24 O24 Ru4 -","- C48 H96 Cl9.12 N24 O24.02 Ru4 -","- C384 H768 Cl72.96 N192 O192.16 Ru32 -","8","0.25","","Victor C. Lau; Louise A. Berben; Jeffrey R. Long","[(Cyclen)4Ru4(pz)4]9+: A Creutz-Taube Square","Journal of the American Chemical Society","2002","124","","9042","9043","10.1021/ja027114q","","","0.71073","MoKα","","0.1658","0.0794","","0.2486","0.1908","","","","1.019","1.186","1.186","","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115012","9.7902","0.0011","10.9413","0.0013","10.6855","0.0012","90","","113.714","0.002","90","","1048","0.2","173","2","173","2","","","","","","","Prof. T. Hanusa - Vanderbilt","3","P 1 21/n 1","-P 2yn","14","00021a","","","- C26 H30 Cr -","- C26 H30 Cr -","- C52 H60 Cr2 -","2","0.5","","Erik D. Brady; Jason S. Overby; M. Brett Meredith; Adam B. Mussman; Michael A. Cohn; Timothy P. Hanusa; Gordon T. Yee; Maren Pink","Spin-State Alteration from Sterically Enforced Ligand Rotation in Bis(indenyl)chromium(II) Complexes1","Journal of the American Chemical Society","2002","124","","9556","9566","10.1021/ja012390a","","","0.71073","MoKα","","0.0677","0.0369","","0.0885","0.0833","","","","0.985","1.168","1.168","","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115013","11.098","0.001","16.192","0.002","38.358","0.004","90","","92.973","0.002","90","","6883.6","1.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","00066","","","- C31.5 H49.5 Cr Si4 -","- C31.5 H49.5 Cr Si4 -","- C252 H396 Cr8 Si32 -","8","2","","Erik D. Brady; Jason S. Overby; M. Brett Meredith; Adam B. Mussman; Michael A. Cohn; Timothy P. Hanusa; Gordon T. Yee; Maren Pink","Spin-State Alteration from Sterically Enforced Ligand Rotation in Bis(indenyl)chromium(II) Complexes1","Journal of the American Chemical Society","2002","124","","9556","9566","10.1021/ja012390a","","","0.71073","MoKα","","0.1178","0.083","","","0.1946","0.2096","","","","","","1.072","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4115014","18.26","0.007","9.694","0.004","17.921","0.007","90","","115.893","0.006","90","","2854","2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","00390","","","- C34 H46 Cr -","- C34 H46 Cr -","- C136 H184 Cr4 -","4","1","","Erik D. Brady; Jason S. Overby; M. Brett Meredith; Adam B. Mussman; Michael A. Cohn; Timothy P. Hanusa; Gordon T. Yee; Maren Pink","Spin-State Alteration from Sterically Enforced Ligand Rotation in Bis(indenyl)chromium(II) Complexes1","Journal of the American Chemical Society","2002","124","","9556","9566","10.1021/ja012390a","","","0.71073","MoKα","","0.0644","0.0469","","","0.116","0.1267","","","","","","0.986","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4115015","8.26","0.002","16.961","0.003","11.406","0.002","90","","90","","90","","1598","0.6","153.2","","153.2","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H18 Cl4 Pt Si2 -","- C10 H18 Cl4 Pt Si2 -","- C40 H72 Cl16 Pt4 Si8 -","4","0.5","","Aroop K. Roy; Richard B. Taylor","The First Alkene-Platinum-Silyl Complexes: Lifting the Hydrosilation Mechanism Shroud with Long-Lived Precatalytic Intermediates and True Pt Catalysts","Journal of the American Chemical Society","2002","124","","9510","9524","10.1021/ja0127335","","","0.7107","MoKα","","0.0371","0.024","","0.05","","0.025","","","2.222","","","2.4","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115016","11.6938","0.001","4.3777","0.001","18.9304","0.001","90","","96.657","0.01","90","","962.6","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Dysprosiumborate","Dysprosiumborate","","- B6 Dy4 O15 -","- B6 Dy4 O15 -","- B24 Dy16 O60 -","4","0.5","","Hubert Huppertz; Benjamin von der Eltz","Multianvil High-Pressure Synthesis of Dy4B6O15: The First Oxoborate with Edge-Sharing BO4 Tetrahedra","Journal of the American Chemical Society","2002","124","","9376","9377","10.1021/ja017691z","","","0.71073","MoKα","","0.0173","0.0155","","","0.0349","0.0356","","","","","","1.098","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115017","9.66","0.002","11.339","0.002","13.084","0.002","71.003","0.019","78.85","0.02","78.94","0.02","1316.6","0.4","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","1-Isopropyl-4-propyl-2,6-dioxo-5-[2-(1-propyl-2,6-diisopropyl-1-hydro -pyridin-4-ylidene)-ethylidene]-1,2,5,6-tetrahydro-pyridine-3-carbonitrile","","- C28 H39 N3 O2 -","- C28 H39 N3 O2 -","- C56 H78 N6 O4 -","2","1","","Frank Würthner; Sheng Yao; Tony Debaerdemaeker; Rüdiger Wortmann","Dimerization of Merocyanine Dyes. Structural and Energetic Characterization of Dipolar Dye Aggregates and Implications for Nonlinear Optical Materials","Journal of the American Chemical Society","2002","124","","9431","9447","10.1021/ja020168f","","","0.71073","MoKα","","0.1077","0.0522","","","0.1188","0.1371","","","","","","0.809","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115018","8.574","0.001","23.833","0.002","12.382","0.001","90","","98.27","0.01","90","","2503.9","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","(5-Ethylbutylamino-3,4-diethyl-thiophen)-2-ylmethylene-4- methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile","","","- C26 H37 N3 O2 S -","- C26 H37 N3 O2 S -","- C104 H148 N12 O8 S4 -","4","2","","Frank Würthner; Sheng Yao; Tony Debaerdemaeker; Rüdiger Wortmann","Dimerization of Merocyanine Dyes. Structural and Energetic Characterization of Dipolar Dye Aggregates and Implications for Nonlinear Optical Materials","Journal of the American Chemical Society","2002","124","","9431","9447","10.1021/ja020168f","","","0.71073","MoKα","","0.0652","0.0485","","","0.1131","0.1203","","","","","","0.934","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115019","8.4904","0.0004","15.7476","0.0007","18.1259","0.0009","91.141","0.001","96.429","0.001","94.768","0.001","2398.9","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","(dippe)Ni(eta-2-quinoline)","","","- C23 H39 N Ni P2 -","- C23 H39 N Ni P2 -","- C92 H156 N4 Ni4 P8 -","4","2","","Juventino J. Garcia; Nicole M. Brunkan; William D. Jones","Cleavage of Carbon-Carbon Bonds in Aromatic Nitriles Using Nickel(0)","Journal of the American Chemical Society","2002","124","","9547","9555","10.1021/ja0204933","","","0.71073","MoKα","","0.0741","0.0539","","","0.0995","0.1081","","","","","","1.062","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115020","8.8371","0.0012","28.489","0.005","10.6359","0.0019","90","","100.917","0.016","90","","2629.2","0.8","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(dippe)Ni(eta-2acridine)","","","- C27 H41 N Ni P2 -","- C27 H41 N Ni P2 -","- C108 H164 N4 Ni4 P8 -","4","1","","Juventino J. Garcia; Nicole M. Brunkan; William D. Jones","Cleavage of Carbon-Carbon Bonds in Aromatic Nitriles Using Nickel(0)","Journal of the American Chemical Society","2002","124","","9547","9555","10.1021/ja0204933","","","0.71073","MoKα","","0.0964","0.0553","","","0.126","0.1459","","","","","","0.877","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115021","8.138","0.0004","10.6539","0.0006","14.6552","0.0008","87.87","0.001","76.897","0.001","85.797","0.001","1233.94","0.11","193","2","193","2","","","","","","","","5","P -1","-P 1","2","(dippe)Ni(2-quinolinyl)(CN)","","","- C24 H38 N2 Ni P2 -","- C24 H38 N2 Ni P2 -","- C48 H76 N4 Ni2 P4 -","2","1","","Juventino J. Garcia; Nicole M. Brunkan; William D. Jones","Cleavage of Carbon-Carbon Bonds in Aromatic Nitriles Using Nickel(0)","Journal of the American Chemical Society","2002","124","","9547","9555","10.1021/ja0204933","","","0.71073","MoKα","","0.0352","0.0293","","","0.0832","0.0925","","","","","","0.529","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115022","17.096","0.003","17.107","0.002","17.333","0.002","90","","90","","90","","5069.2","1.2","193","2","193","2","","","","","","","","5","P c a 21","P 2c -2ac","29","(dippe)Ni(eta2-3-cyanoquinoline)","","","- C24 H38 N2 Ni P2 -","- C24 H38 N2 Ni P2 -","- C192 H304 N16 Ni8 P16 -","8","2","","Juventino J. Garcia; Nicole M. Brunkan; William D. Jones","Cleavage of Carbon-Carbon Bonds in Aromatic Nitriles Using Nickel(0)","Journal of the American Chemical Society","2002","124","","9547","9555","10.1021/ja0204933","","","0.71073","MoKα","","0.1525","0.0972","","","0.1712","0.1959","","","","","","1.101","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115023","8.02","0.0014","20.925","0.003","14.969","0.003","90","","92.023","0.009","90","","2510.5","0.8","188","2","188","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(dippe)Ni(3-quinolinyl)(CN)","","","- C24 H38 N2 Ni P2 -","- C24 H38 N2 Ni P2 -","- C96 H152 N8 Ni4 P8 -","4","1","","Juventino J. Garcia; Nicole M. Brunkan; William D. Jones","Cleavage of Carbon-Carbon Bonds in Aromatic Nitriles Using Nickel(0)","Journal of the American Chemical Society","2002","124","","9547","9555","10.1021/ja0204933","","","0.71073","MoKα","","0.057","0.0449","","","0.1073","0.1118","","","","","","1.124","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115024","20.7022","0.0013","13.5413","0.0008","16.0621","0.001","90","","93.666","0.001","90","","4493.6","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(dippe)Ni(h2-2-cyanopyridine)","","","- C20 H36 N2 Ni P2 -","- C20 H36 N2 Ni P2 -","- C160 H288 N16 Ni8 P16 -","8","2","","Juventino J. Garcia; Nicole M. Brunkan; William D. Jones","Cleavage of Carbon-Carbon Bonds in Aromatic Nitriles Using Nickel(0)","Journal of the American Chemical Society","2002","124","","9547","9555","10.1021/ja0204933","","","0.71073","MoKα","","0.1149","0.0829","","","0.1571","0.1674","","","","","","1.216","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115025","15.2478","0.0007","22.2907","0.001","29.1393","0.0014","90","","90","","90","","9904","0.8","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","((dippe)Ni(h2-1,4-dicyanobenzene)","","","- C22 H36 N2 Ni P2 -","- C22 H36 N2 Ni P2 -","- C352 H576 N32 Ni16 P32 -","16","2","","Juventino J. Garcia; Nicole M. Brunkan; William D. Jones","Cleavage of Carbon-Carbon Bonds in Aromatic Nitriles Using Nickel(0)","Journal of the American Chemical Society","2002","124","","9547","9555","10.1021/ja0204933","","","0.71073","MoKα","","0.1438","0.0705","","","0.1708","0.2097","","","","","","0.847","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115026","8.0746","0.0004","11.8545","0.0006","13.0056","0.0006","75.466","0.001","82.407","0.001","89.484","0.001","1194.12","0.1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","(dippe)Ni(4-cyanophenyl)(CN)","","","- C22 H36 N2 Ni P2 -","- C22 H36 N2 Ni P2 -","- C44 H72 N4 Ni2 P4 -","2","1","","Juventino J. Garcia; Nicole M. Brunkan; William D. Jones","Cleavage of Carbon-Carbon Bonds in Aromatic Nitriles Using Nickel(0)","Journal of the American Chemical Society","2002","124","","9547","9555","10.1021/ja0204933","","","0.71073","MoKα","","0.0315","0.0275","","","0.0716","0.0734","","","","","","1.046","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115027","10.5304","0.0006","15.1549","0.0009","12.8816","0.0007","90","","91.304","0.001","90","","2055.2","0.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[(dippe)Ni]2(h2,h2-1,4-dicyanobenzene)","","","- C36 H68 N2 Ni2 P4 -","- C36 H68 N2 Ni2 P4 -","- C72 H136 N4 Ni4 P8 -","2","0.5","","Juventino J. Garcia; Nicole M. Brunkan; William D. Jones","Cleavage of Carbon-Carbon Bonds in Aromatic Nitriles Using Nickel(0)","Journal of the American Chemical Society","2002","124","","9547","9555","10.1021/ja0204933","","","0.71073","MoKα","","0.0657","0.0461","","","0.086","0.0914","","","","","","1.102","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115028","15.9601","0.0019","15.9601","0.0019","4.4494","0.0006","90","","90","","90","","1133.4","0.2","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C8 H7 Cl N3 S4 -","- C8 H8 Cl N3 S4 -","- C32 H32 Cl4 N12 S16 -","4","0.5","","Leanne Beer; Jaclyn L. Brusso; A. Wallace Cordes; Robert C. Haddon; Mikhail E. Itkis; Kristin Kirschbaum; Douglas S. MacGregor; Richard T. Oakley; A. Alan Pinkerton; Robert W. Reed","Resonance-Stabilized 1,2,3-Dithiazolo-1,2,3-dithiazolyls as Neutral π-Radical Conductors","Journal of the American Chemical Society","2002","124","","9498","9509","10.1021/ja026118s","","","0.7107","MoKα","","0.059","0.0308","","","0.0453","0.0495","","","","","","0.784","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115029","4.5386","0.0004","14.2658","0.001","14.3779","0.0011","90","","90","","90","","930.92","0.13","25","5","25","5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H3 Cl N3 S4 -","- C6 H3 Cl N3 S4 -","- C24 H12 Cl4 N12 S16 -","4","1","","Leanne Beer; Jaclyn L. Brusso; A. Wallace Cordes; Robert C. Haddon; Mikhail E. Itkis; Kristin Kirschbaum; Douglas S. MacGregor; Richard T. Oakley; A. Alan Pinkerton; Robert W. Reed","Resonance-Stabilized 1,2,3-Dithiazolo-1,2,3-dithiazolyls as Neutral π-Radical Conductors","Journal of the American Chemical Society","2002","124","","9498","9509","10.1021/ja026118s","","","0.71073","MoKα","","0.0525","0.0493","","","0.1063","0.1075","","","","","","1.193","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115030","4.2464","0.0012","15.194","0.005","15.069","0.004","90","","90","","90","","972.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H3 Cl N3 S4 -","- C6 H3 Cl N3 S4 -","- C24 H12 Cl4 N12 S16 -","4","1","","Leanne Beer; Jaclyn L. Brusso; A. Wallace Cordes; Robert C. Haddon; Mikhail E. Itkis; Kristin Kirschbaum; Douglas S. MacGregor; Richard T. Oakley; A. Alan Pinkerton; Robert W. Reed","Resonance-Stabilized 1,2,3-Dithiazolo-1,2,3-dithiazolyls as Neutral π-Radical Conductors","Journal of the American Chemical Society","2002","124","","9498","9509","10.1021/ja026118s","","","0.7107","MoKα","","0.0478","0.0314","","","0.0544","0.0578","","","","","","0.834","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115031","15.886","0.004","15.886","0.004","4.1088","0.0011","90","","90","","90","","1036.9","0.5","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C7 H5 Cl N3 S4 -","- C7 H5 Cl N3 S4 -","- C28 H20 Cl4 N12 S16 -","4","0.5","","Leanne Beer; Jaclyn L. Brusso; A. Wallace Cordes; Robert C. Haddon; Mikhail E. Itkis; Kristin Kirschbaum; Douglas S. MacGregor; Richard T. Oakley; A. Alan Pinkerton; Robert W. Reed","Resonance-Stabilized 1,2,3-Dithiazolo-1,2,3-dithiazolyls as Neutral π-Radical Conductors","Journal of the American Chemical Society","2002","124","","9498","9509","10.1021/ja026118s","","","0.7107","MoKα","","0.0359","0.0279","","","0.0571","0.0603","","","","","","1.107","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115032","11.2935","0.0005","18.229","0.001","12.044","0.0005","90","","112.187","0.003","90","","2295.9","0.19","183.2","","183.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Br P Pd -","- C24 H2 Br P Pd -","- C96 H8 Br4 P4 Pd4 -","4","1","","James P. Stambuli; Michael Bühl; John F. Hartwig","Synthesis, Characterization, and Reactivity of Monomeric, Arylpalladium Halide Complexes with a Hindered Phosphine as the Only Dative Ligand","Journal of the American Chemical Society","2002","124","","9346","9347","10.1021/ja0264394","","","0.7107","MoKalpha","","0.0679","0.0391","","0.0363","0.0325","","","","1.36","1.434","1.434","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115033","15.2945","0.0004","14.244","0.0004","20.5478","0.0005","90","","90","","90","","4476.4","0.2","183.2","","183.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H36 I P Pd -","- C20 I P Pd -","- C160 I8 P8 Pd8 -","8","1","","James P. Stambuli; Michael Bühl; John F. Hartwig","Synthesis, Characterization, and Reactivity of Monomeric, Arylpalladium Halide Complexes with a Hindered Phosphine as the Only Dative Ligand","Journal of the American Chemical Society","2002","124","","9346","9347","10.1021/ja0264394","","","0.7107","MoKα","","","0.0256","","","","0.0273","","","","","","1.264","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115034","15.452","0.001","16.887","0.001","10.5491","0.0003","104.686","0.002","108.412","0.001","62.816","0.001","2303.7","0.2","183.2","","183.2","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H53 N P2 Pd -","- C55 H53 N P2 Pd -","- C110 H106 N2 P4 Pd2 -","2","1","","Darcy A. Culkin; John F. Hartwig","Synthesis, Characterization, and Reactivity of Arylpalladium Cyanoalkyl Complexes: Selection of Catalysts for the α-Arylation of Nitriles","Journal of the American Chemical Society","2002","124","","9330","9331","10.1021/ja026584h","","","0.7107","MoKalpha","","","0.0344","","","0.0409","","","","","1.996","1.996","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115035","14.3398","0.0005","16.7219","0.0004","14.9078","0.0004","90","","97.737","0.001","90","","3542.18","0.18","183.2","","183.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H55 Fe N P2 Pd -","- C36 H55 Fe N P2 Pd -","- C144 H220 Fe4 N4 P8 Pd4 -","4","1","","Darcy A. Culkin; John F. Hartwig","Synthesis, Characterization, and Reactivity of Arylpalladium Cyanoalkyl Complexes: Selection of Catalysts for the α-Arylation of Nitriles","Journal of the American Chemical Society","2002","124","","9330","9331","10.1021/ja026584h","","","0.7107","MoKalpha","","","0.0374","","","0.0477","","","","","2.305","2.305","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115036","29.992","0.001","8.635","0.0003","17.599","0.001","90","","94.839","0.002","90","","4541.6","0.3","183.2","","183.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 N P Pd -","- C25 H28 N P Pd -","- C200 H224 N8 P8 Pd8 -","8","1","","Darcy A. Culkin; John F. Hartwig","Synthesis, Characterization, and Reactivity of Arylpalladium Cyanoalkyl Complexes: Selection of Catalysts for the α-Arylation of Nitriles","Journal of the American Chemical Society","2002","124","","9330","9331","10.1021/ja026584h","","","0.7107","MoKalpha","","","0.0308","","","0.0309","","","","","1.568","1.568","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115037","10.601","0.002","10.91","0.002","11.259","0.002","77.88","0.03","71.68","0.03","68.17","0.03","1141.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","trimeric perfluro-ortho-phenylenemercury + acetone","","","- C21 H6 F12 Hg3 O -","- C21 H6 F12 Hg3 O -","- C42 H12 F24 Hg6 O2 -","2","1","","Julie B. King; Mason R. Haneline; Mitsukimi Tsunoda; François P. Gabbaï","Dimerization of the Trinuclear Mercury(II) Complex [(o-C6F4Hg)3.μ3-acetone] via Mercurophilic Interactions","Journal of the American Chemical Society","2002","124","","9350","9351","10.1021/ja0268534","","","0.71073","MoKα","","0.0676","0.0589","","","0.1422","0.1488","","","","","","1.031","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115038","15.3944","0.0006","8.4977","0.0003","32.326","0.001","90","","90.753","0.003","90","","4228.4","0.3","173.2","","173.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H35 N O Si W -","- C19 H35 N O Si W -","- C152 H280 N8 O8 Si8 W8 -","8","1","","Stephen H. K. Ng; Craig S. Adams; Peter Legzdins","Unusual Thermal C-H Bond Activation by a Tungsten Allene Complex1","Journal of the American Chemical Society","2002","124","","9380","9381","10.1021/ja026951p","","","0.7107","MoKα","","0.0526","0.036","","0.1071","","0.1071","","","1.597","","","1.597","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115039","9.1458","0.0005","13.65","0.0007","15.9576","0.0009","90","","98.724","0.003","90","","1969.1","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N O P W -","- C18 H32 N O P W -","- C72 H128 N4 O4 P4 W4 -","4","1","","Stephen H. K. Ng; Craig S. Adams; Peter Legzdins","Unusual Thermal C-H Bond Activation by a Tungsten Allene Complex1","Journal of the American Chemical Society","2002","124","","9380","9381","10.1021/ja026951p","","","0.71073","MoKα","","0.0358","0.0281","","","0.0651","0.0668","","","","","","0.947","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115040","9.084","0.0002","31.013","0.0006","11.809","0.0003","90","","93.796","0.002","90","","3319.56","0.13","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1,3,3-Tetra-tert-butyl-2-[di-tert-butyl(methyl)silyl]- 1,3-dimethyltrisilan-2-yl","","- C27 H63 Si4 -","- C27 H63 Si4 -","- C108 H252 Si16 -","4","1","","Akira Sekiguchi; Tomohide Fukawa; Masaaki Nakamoto; Vladimir Ya. Lee; Masaaki Ichinohe","Isolable Silyl and Germyl Radicals Lacking Conjugation with π-Bonds: Synthesis, Characterization, and Reactivity","Journal of the American Chemical Society","2002","124","","9865","9869","10.1021/ja0126780","","","0.7107","MoKα","","0.0604","0.0556","","","0.1542","0.1596","","","","","","1.033","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115041","9.079","0.0002","31.095","0.0006","11.816","0.0002","90","","93.966","0.001","90","","3327.8","0.11","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tris[di-tert-butyl(methyl)silyl]germanyl","","- C27 H63 Ge Si3 -","- C27 H63 Ge Si3 -","- C108 H252 Ge4 Si12 -","4","1","","Akira Sekiguchi; Tomohide Fukawa; Masaaki Nakamoto; Vladimir Ya. Lee; Masaaki Ichinohe","Isolable Silyl and Germyl Radicals Lacking Conjugation with π-Bonds: Synthesis, Characterization, and Reactivity","Journal of the American Chemical Society","2002","124","","9865","9869","10.1021/ja0126780","","","0.7107","MoKα","","0.0356","0.0334","","","0.0919","0.0942","","","","","","1.032","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115042","27.156","0.003","26.242","0.003","13.2949","0.0016","90","","90.57","0.003","90","","9473.8","1.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","UCR-9","","","- C124 H106 Cd8 N8 O16 S15 -","- C124 H96 Cd8 N8 O16 S13 -","- C248 H192 Cd16 N16 O32 S26 -","2","0.25","","Nanfeng Zheng; Xianhui Bu; Pingyun Feng","Self-Assembly of Novel Dye Molecules and [Cd8(SPh)12]4+ Cubic Clusters into Three-Dimensional Photoluminescent Superlattice","Journal of the American Chemical Society","2002","124","","9688","9689","10.1021/ja020480p","","","0.71073","MoKα","","0.1071","0.074","","","0.2611","0.286","","","","","","1.108","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115043","10.0093","0.0006","15.4273","0.0009","14.009","0.0008","90","","92.758","0.001","90","","2160.7","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H72 Cl4 P2 Rh2 -","- C40 H72 Cl4 P2 Rh2 -","- C80 H144 Cl8 P4 Rh4 -","2","0.5","","Giuseppe Canepa; Carsten D. Brandt; Helmut Werner","An Unprecedented Dinuclear Alkylrhodium(III) Complex Built up by Two 14-Electron [RhCl2(alkyl)(PR3)] Units","Journal of the American Chemical Society","2002","124","","9666","9667","10.1021/ja020560t","","","0.71073","MoKα","","0.0349","0.0311","","","0.0709","0.0726","","","","","","1.09","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115044","36.026","0.003","5.6019","0.0004","9.484","0.0007","90","","100.27","0.01","90","","1883.3","0.3","203.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C88 H88 O24 -","4","0.5","","Toshihiro Tanaka; Akikazu Matsumoto","First Disyndiotactic Polymer from a 1,4-Disubstituted Butadiene by Alternate Molecular Stacking in the Crystalline State","Journal of the American Chemical Society","2002","124","","9676","9677","10.1021/ja020615r","","","0.7107","MoKα","","","0.07","","","","0.104","","","","","","1.184","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115045","35.644","0.004","5.6923","0.0004","9.7803","0.0006","90","","100.533","0.003","90","","1950.9","0.3","203.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C88 H88 O24 -","4","0.5","","Toshihiro Tanaka; Akikazu Matsumoto","First Disyndiotactic Polymer from a 1,4-Disubstituted Butadiene by Alternate Molecular Stacking in the Crystalline State","Journal of the American Chemical Society","2002","124","","9676","9677","10.1021/ja020615r","","","0.7107","MoKα","","","0.048","","","","0.1","","","","","","0.956","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115046","6.6919","0.0001","10.784","0.001","14.007","0.0008","107.237","0.005","99.272","0.003","93.847","0.004","945.71","0.11","203.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 O6 -","- C20 H16 O6 -","- C40 H32 O12 -","2","1","","Toshihiro Tanaka; Akikazu Matsumoto","First Disyndiotactic Polymer from a 1,4-Disubstituted Butadiene by Alternate Molecular Stacking in the Crystalline State","Journal of the American Chemical Society","2002","124","","9676","9677","10.1021/ja020615r","","","0.7107","MoKα","","","0.136","","","","0.209","","","","","","2.424","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115047","35.117","0.004","5.798","0.0006","9.436","0.001","90","","99.321","0.002","90","","1895.9","0.4","296.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C88 H88 O24 -","4","0.5","","Toshihiro Tanaka; Akikazu Matsumoto","First Disyndiotactic Polymer from a 1,4-Disubstituted Butadiene by Alternate Molecular Stacking in the Crystalline State","Journal of the American Chemical Society","2002","124","","9676","9677","10.1021/ja020615r","","","0.7107","MoKα","","","0.043","","","","0.071","","","","","","0.892","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115048","12.4637","0.0006","12.6975","0.0006","14.6816","0.0007","105.839","0.001","109.064","0.001","106.899","0.001","1919.5","0.16","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H60 O24 Pd6 S12 -","- C57 H60 O24 Pd6 S12 -","- C57 H60 O24 Pd6 S12 -","1","0.5","","Colin L. Beswick; Raquel Terroba; Mark A. Greaney; Edward I. Stiefel","[PdS2C2(COOMe)2]6n (n = 0, -1, -2, -3, -4): Hexanuclear Homoleptic Palladium Dithiolene Complexes","Journal of the American Chemical Society","2002","124","","9664","9665","10.1021/ja026079k","","","0.71073","MoKα","","0.033","0.0257","","","0.0593","0.0616","","","","","","1.03","","","","has coordinates,has disorder","178921","2020-10-21","18:00:00",""
"4115049","14.306","0.002","8.6454","0.0008","16.0518","0.0013","90","","109.076","0.0009","90","","1876.3","0.3","293.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 F6 O P Se -","- C18 H15 F6 O P Se -","- C72 H60 F24 O4 P4 Se4 -","4","1","","Shohei Sase; Naokazu Kano; Takayuki Kawashima","Synthesis and Structure of the First 1,2σ5-Selenaphosphirane","Journal of the American Chemical Society","2002","124","","9706","9707","10.1021/ja026107z","","","0.7107","MoKα","","","0.033","","","","0.08","","","","","","1.133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115050","7.8177","0.0004","14.3141","0.0009","20.5603","0.001","90","","90","","90","","2300.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Mo N2 O -","- C27 H30 Mo N2 O -","- C108 H120 Mo4 N8 O4 -","4","1","","Kenji Wada; Craig B. Pamplin; Peter Legzdins","Parallel Modes of C-H Bond Activation Initiated by Cp*Mo(NO)(CH2CMe3)(C6H5) at Ambient Temperatures1","Journal of the American Chemical Society","2002","124","","9680","9681","10.1021/ja027080m","","","0.71073","MoKα","","0.0516","0.0345","","","0.0852","0.0902","","","","","","0.928","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115051","13.531","0.001","15.432","0.002","14.2106","0.0009","90","","95.896","0.001","90","","2951.6","0.5","93.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H32 F4 N4 -","- C39 H32 F4 N4 -","- C156 H128 F16 N16 -","4","0.5","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.0358","","","","0.0375","","","","","","1.153","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115052","9.8714","0.0007","11.905","0.001","13.335","0.001","90","","93.041","0.002","90","","1564.9","0.2","93.2","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C21 H24 -","- C21 H24 -","- C84 H96 -","4","1","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.0687","","","","0.1031","","","","","","1.461","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115053","10.8966","0.0005","21.1709","0.0007","8.808","0.0004","95.7095","0.0008","91.167","0.001","89.754","0.002","2021.42","0.15","93.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H26 N2 -","- C27 H26 N2 -","- C108 H104 N8 -","4","2","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.045","","","","0.1355","","","","","","0.9","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115054","29.5522","0.0006","9.1868","0.0002","26.3966","0.0006","90","","91.3215","0.0004","90","","7164.5","0.3","93.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48 H50 N2 -","- C48 H49.85 N2 -","- C384 H398.8 N16 -","8","1","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.0533","","","","0.1712","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115055","25.664","0.002","8.2817","0.0005","21.057","0.001","90","","144.662","0.002","90","","2588.6","0.3","93.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 F4 N4 -","- C33 H24 F4 N4 -","- C132 H96 F16 N16 -","4","0.5","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.0414","","","","0.0765","","","","","","1.428","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115056","10.56","0.003","11.053","0.002","9.239","0.003","91.268","0.005","97.884","0.006","88.387","0.006","1067.6","0.5","93.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H24 N4 -","- C27 H23.7 N4 -","- C54 H47.4 N8 -","2","1","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.0849","","","","0.2959","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115057","16.58","0.02","23.234","0.006","8.733","0.002","90","","90","","90","","3364","4","123.2","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C24 H28 -","- C24 H28 -","- C192 H224 -","8","1","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.0463","","","","0.0743","","","","","","1.465","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115058","9.128","0.001","7.602","0.001","13.409","0.001","90","","97.455","0.007","90","","922.6","0.17","93.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H30 O -","- C26 H30 O -","- C52 H60 O2 -","2","1","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.0417","","","","0.0804","","","","","","1.245","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115059","17.125","0.003","12.93","0.01","9.045","0.002","90","","97.96","0.02","90","","1983.5","1.6","288.2","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C27 H30 O2 -","- C27 H30 O2 -","- C108 H120 O8 -","4","1","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.0485","","","","0.1128","","","","","","0.993","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115060","31.176","0.004","8.507","0.001","15.348","0.003","90","","108.996","0.008","90","","3848.8","1","93.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H30 O2 -","- C27 H30 O2 -","- C216 H240 O16 -","8","1","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.104","","","","0.293","","","","","","0.897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115061","8.058","0.003","16.316","0.006","15.88","0.03","90","","97.632","0.005","90","","2069","4","288.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 O2 -","- C28 H32 O2 -","- C112 H128 O8 -","4","1","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.0648","","","","0.1293","","","","","","1.894","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115062","17.4292","0.0005","30.4333","0.0008","10.3567","0.0003","90","","90.1211","0.0009","90","","5493.5","0.3","93.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H28 F4 N4 -","- C36 H28 F4 N4 -","- C288 H224 F32 N32 -","8","2","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.0594","","","","0.1134","","","","","","0.702","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115063","12.878","0.003","9.258","0.008","31.25","0.01","90","","94.7","0.02","90","","3713","4","113.2","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 -","- C27 H32 -","- C216 H256 -","8","2","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.094","","","","0.1306","","","","","","3.46","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115064","13.4439","0.0005","14.3564","0.0006","19.5718","0.0009","90","","102.874","0.002","90","","3682.5","0.3","93.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 O -","- C27 H27.5 O -","- C216 H220 O8 -","8","2","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.0488","","","","0.1433","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115065","13.2315","0.0006","8.9813","0.0004","16.1758","0.0006","90","","107.114","0.002","90","","1837.15","0.14","93.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 O -","- C27 H30 O -","- C108 H120 O4 -","4","1","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.0409","","","","0.0646","","","","","","1.354","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115066","10.364","0.002","9.406","0.005","15.504","0.003","90","","107.08","0.02","90","","1444.7","0.9","113.2","","","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C39 H36 N4 -","- C39 H36 N4 -","- C78 H72 N8 -","2","1","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.0434","","","","0.1192","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115067","12.432","0.003","13.006","0.003","33.338","0.007","97.952","0.01","94.198","0.011","97.345","0.014","5272","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C109 H129 B2 Cl6 N13 O4 Zn2 -","- C109 H129 B2 Cl6 N13 O4 Zn2 -","- C218 H258 B4 Cl12 N26 O8 Zn4 -","2","1","","David A. Shultz; Scot H. Bodnar; Hyoyoung Lee; Jeff W. Kampf; Christopher D. Incarvito; Arnold L. Rheingold","Singlet-Triplet Gap in Triplet Ground-State Biradicals Is Modulated by Substituent Effects","Journal of the American Chemical Society","2002","124","","10054","10061","10.1021/ja020154+","","","0.71073","MoKα","","0.2594","0.1352","","","0.2772","0.3338","","","","","","1.477","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115068","12.688","0.005","12.987","0.005","33.514","0.012","99.258","0.006","92.264","0.007","97.887","0.006","5388","4","158","2","158","2","","","","","","","","7","P -1","-P 1","2","","","","- C111 H123 B2 Cl6 N12 O4 Zn2 -","- C111 H123 B2 Cl6 N12 O4 Zn2 -","- C222 H246 B4 Cl12 N24 O8 Zn4 -","2","1","","David A. Shultz; Scot H. Bodnar; Hyoyoung Lee; Jeff W. Kampf; Christopher D. Incarvito; Arnold L. Rheingold","Singlet-Triplet Gap in Triplet Ground-State Biradicals Is Modulated by Substituent Effects","Journal of the American Chemical Society","2002","124","","10054","10061","10.1021/ja020154+","","","0.71073","MoKα","","0.1257","0.0973","","","0.2643","0.288","","","","","","1.062","","","","has coordinates,has disorder","178921","2020-10-21","18:00:00",""
"4115069","12.46","0.002","13.048","0.002","33.278","0.006","97.901","0.003","95.124","0.003","97.495","0.003","5281.4","1.5","158","2","158","2","","","","","","","","7","P -1","-P 1","2","","","","- C106 H121 B2 Cl4 N13 O6 Zn2 -","- C106 H121 B2 Cl4 N13 O6 Zn2 -","- C212 H242 B4 Cl8 N26 O12 Zn4 -","2","1","","David A. Shultz; Scot H. Bodnar; Hyoyoung Lee; Jeff W. Kampf; Christopher D. Incarvito; Arnold L. Rheingold","Singlet-Triplet Gap in Triplet Ground-State Biradicals Is Modulated by Substituent Effects","Journal of the American Chemical Society","2002","124","","10054","10061","10.1021/ja020154+","","","0.71073","MoKα","","0.1359","0.1231","","","0.3197","0.3271","","","","","","1.126","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115070","13.394","0.0004","9.2276","0.0004","19.3499","0.0008","90","","90","","90","","2391.54","0.16","161","2","161","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Mn(h1-OClO3)2(phen)2","","- C24 H16 Cl2 Mn N4 O8 -","- C24 H16 Cl2 Mn N4 O8 -","- C96 H64 Cl8 Mn4 N16 O32 -","4","0.5","","Anna S. Larsen; Kun Wang; Mark A. Lockwood; Gordon L. Rice; Tae-Jin Won; Scott Lovell; Martin Sadílek; František Tureček; James M. Mayer","Hydrocarbon Oxidation by Bis-μ-oxo Manganese Dimers: Electron Transfer, Hydride Transfer, and Hydrogen Atom Transfer Mechanisms","Journal of the American Chemical Society","2002","124","","10112","10123","10.1021/ja020204a","","","0.7107","MoKα","","0.1076","0.0722","","","0.1482","0.1819","","","","","","1.131","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115071","12.9889","0.0013","9.9222","0.0011","28.22","0.0017","90","","91.463","0.005","90","","3635.8","0.6","100","1","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 F3 Fe N O3 S Sn -","- C40 H42 F3 Fe N O3 S Sn -","- C160 H168 F12 Fe4 N4 O12 S4 Sn4 -","4","1","","Thomas Baumgartner; Frieder Jäkle; Ron Rulkens; Gernot Zech; Alan J. Lough; Ian Manners","Nucleophilically Assisted and Cationic Ring-Opening Polymerization of Tin-Bridged [1]Ferrocenophanes","Journal of the American Chemical Society","2002","124","","10062","10070","10.1021/ja020206v","","","0.71073","MoKα","","0.1774","0.0806","","","0.2218","0.244","","","","","","1.092","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115072","9.2052","0.0006","10.1306","0.0006","16.7175","0.0011","74.388","0.001","83.567","0.001","81.31","0.001","1480.05","0.16","100","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H50 Ni P2 -","- C31 H50 Ni P2 -","- C62 H100 Ni2 P4 -","2","1","","Daniel J. Mindiola; Gregory L. Hillhouse","Synthesis, Structure, and Reactions of a Three-Coordinate Nickel-Carbene Complex, {1,2-Bis(di-tert-butylphosphino)ethane}NiCPh2","Journal of the American Chemical Society","2002","124","","9976","9977","10.1021/ja0269183","","","0.71073","MoKα","","0.0436","0.0375","","","0.0982","0.1007","","","","","","1.002","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115073","26.4905","0.0012","26.4905","0.0012","20.5306","0.0013","90","","90","","120","","12477.1","1.1","100","2","373","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22 H46 N2 Ni O2 P2 -","- C22 H46 N2 Ni O2 P2 -","- C396 H828 N36 Ni18 O36 P36 -","18","1","","Daniel J. Mindiola; Gregory L. Hillhouse","Synthesis, Structure, and Reactions of a Three-Coordinate Nickel-Carbene Complex, {1,2-Bis(di-tert-butylphosphino)ethane}NiCPh2","Journal of the American Chemical Society","2002","124","","9976","9977","10.1021/ja0269183","","","0.71073","MoKα","","0.0968","0.0914","","","0.2178","0.2219","","","","","","1.099","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115074","11.0813","0.0007","19.1413","0.0012","20.7297","0.0013","90","","94.054","0.001","90","","4386","0.5","100","2","373","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H70 Ni O2 P2 -","- C49 H70 Ni O2 P2 -","- C196 H280 Ni4 O8 P8 -","4","1","","Daniel J. Mindiola; Gregory L. Hillhouse","Synthesis, Structure, and Reactions of a Three-Coordinate Nickel-Carbene Complex, {1,2-Bis(di-tert-butylphosphino)ethane}NiCPh2","Journal of the American Chemical Society","2002","124","","9976","9977","10.1021/ja0269183","","","0.71073","MoKα","","0.0818","0.0636","","","0.1634","0.1723","","","","","","1.073","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115075","28.5875","0.0018","16.3013","0.001","16.8591","0.0011","90","","120.309","0.001","90","","6782.7","0.7","100","2","373","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H50 Ni O2 P2 S -","- C31 H50 Ni O2 P2 S -","- C248 H400 Ni8 O16 P16 S8 -","8","1","","Daniel J. Mindiola; Gregory L. Hillhouse","Synthesis, Structure, and Reactions of a Three-Coordinate Nickel-Carbene Complex, {1,2-Bis(di-tert-butylphosphino)ethane}NiCPh2","Journal of the American Chemical Society","2002","124","","9976","9977","10.1021/ja0269183","","","0.71073","MoKα","","0.0563","0.0503","","","0.1338","0.1379","","","","","","1.087","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115076","11.294","0.002","18.588","0.004","16.301","0.003","90","","91.2","0.03","90","","3421.4","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 N2 O3 -","- C14 H28 N2 O3 -","- C112 H224 N16 O24 -","8","2","","Dan Yang; Yu-Hui Zhang; Nian-Yong Zhu","β2,2-Aminoxy Acids: A New Building Block for Turns and Helices","Journal of the American Chemical Society","2002","124","","9966","9967","10.1021/ja026966n","","","0.71069","MoKα","","0.0982","0.0573","","","0.14","0.1605","","","","","","0.896","","","","has coordinates,has disorder","178921","2020-10-21","18:00:00",""
"4115077","5.765","0.0012","19.431","0.004","10.821","0.002","90","","99.26","0.03","90","","1196.4","0.4","301","2","301","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H39 N3 O5 -","- C21 H39 N3 O5 -","- C42 H78 N6 O10 -","2","1","","Dan Yang; Yu-Hui Zhang; Nian-Yong Zhu","β2,2-Aminoxy Acids: A New Building Block for Turns and Helices","Journal of the American Chemical Society","2002","124","","9966","9967","10.1021/ja026966n","","","0.71069","MoKα","","0.0556","0.0509","","","0.1478","0.152","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115078","24.24","0.02","8.25","0.006","11.5","0.008","90","","91.38","0.01","90","","2299","3","293.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Hisashi Tanaka; Hayao Kobayashi; Akiko Kobayashi","A Conducting Crystal Based on A Single-Component Paramagnetic Molecule, [Cu(dmdt)2] (dmdt = Dimethyltetrathiafulvalenedithiolate)","Journal of the American Chemical Society","2002","124","","10002","10003","10.1021/ja027024l","","","0.7107","MoKα","","","0.0554","","","","0.0949","","","","","","0.924","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115079","14.198","0.002","18.045","0.003","13.036","0.002","106.539","0.002","92.307","0.002","110.798","0.003","2955.6","0.8","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H84 Cu N2 S12 -","- C48 H84 Cu N2 S12 -","- C96 H168 Cu2 N4 S24 -","2","1","","Hisashi Tanaka; Hayao Kobayashi; Akiko Kobayashi","A Conducting Crystal Based on A Single-Component Paramagnetic Molecule, [Cu(dmdt)2] (dmdt = Dimethyltetrathiafulvalenedithiolate)","Journal of the American Chemical Society","2002","124","","10002","10003","10.1021/ja027024l","","","0.7107","MoKα","","","0.0701","","","","0.0835","","","","","","1.913","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115080","9.8197","0.0004","10.9602","0.0005","19.5248","0.0008","81.884","0.001","88.318","0.001","66.148","0.001","1901.76","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H37 Cl P2 Ru -","- C48 H44 Cl P2 Ru -","- C96 H88 Cl2 P4 Ru2 -","2","1","","Masami Kamigaito; Yasuhiro Watanabe; Tsuyoshi Ando; Mitsuo Sawamoto","A New Ruthenium Complex with an Electron-Donating Aminoindenyl Ligand for Fast Metal-Mediated Living Radical Polymerizations","Journal of the American Chemical Society","2002","124","","9994","9995","10.1021/ja0270470","","","0.71073","MoKα","","0.0388","0.0364","","","0.0961","0.1002","","","","","","0.789","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115081","10.0011","0.0004","12.5728","0.0005","17.8807","0.0008","88.991","0.001","75.315","0.001","70.12","0.001","2039.48","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H42 Cl N P2 Ru -","- C48 H44 Cl3 N P2 Ru -","- C96 H88 Cl6 N2 P4 Ru2 -","2","1","","Masami Kamigaito; Yasuhiro Watanabe; Tsuyoshi Ando; Mitsuo Sawamoto","A New Ruthenium Complex with an Electron-Donating Aminoindenyl Ligand for Fast Metal-Mediated Living Radical Polymerizations","Journal of the American Chemical Society","2002","124","","9994","9995","10.1021/ja0270470","","","0.71073","MoKα","","0.0325","0.0285","","","0.0746","0.0793","","","","","","1.035","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115082","7.6096","0.0006","8.7046","0.0007","21.8164","0.0018","90","","90","","90","","1445.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 N O2 -","- C16 H27 N O2 -","- C64 H108 N4 O8 -","4","1","","Aaron Wrobleski; Kiran Sahasrabudhe; Jeffrey Aubé","Asymmetric Total Synthesis of Dendrobatid Alkaloid 251F","Journal of the American Chemical Society","2002","124","","9974","9975","10.1021/ja027113y","","","0.71073","MoKα","","0.0466","0.0419","","","0.1015","0.1047","","","","","","1.047","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115083","14.6173","0.0002","14.6257","0.0003","17.0537","0.0002","89.7437","0.0008","67.8568","0.001","78.8226","0.0006","3303.47","0.09","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C27.5 H48 Cl N5 O5.5 S Zn -","- C27.5 H48 Cl N5 O5.5 S Zn -","- C110 H192 Cl4 N20 O22 S4 Zn4 -","4","2","","Dewain K. Garner; Sarah B. Fitch; Lenore H. McAlexander; Lisa M. Bezold; Atta M. Arif; Lisa M. Berreau","Mononuclear Nitrogen/Sulfur-Ligated Zinc Methoxide and Hydroxide Complexes: Investigating Ligand Effects on the Hydrolytic Stability of Zinc Alkoxide Species","Journal of the American Chemical Society","2002","124","","9970","9971","10.1021/ja0271274","","","0.71073","MoKα","","0.0538","0.0365","","","0.0842","0.0931","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115084","10.415","0.0002","14.4189","0.0003","21.0052","0.0004","90","","103.71","0.0007","90","","3064.54","0.1","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 Cl N5 O5 S Zn -","- C26 H44 Cl N5 O5 S Zn -","- C104 H176 Cl4 N20 O20 S4 Zn4 -","4","1","","Dewain K. Garner; Sarah B. Fitch; Lenore H. McAlexander; Lisa M. Bezold; Atta M. Arif; Lisa M. Berreau","Mononuclear Nitrogen/Sulfur-Ligated Zinc Methoxide and Hydroxide Complexes: Investigating Ligand Effects on the Hydrolytic Stability of Zinc Alkoxide Species","Journal of the American Chemical Society","2002","124","","9970","9971","10.1021/ja0271274","","","0.71073","MoKα","","0.0617","0.0459","","","0.1142","0.1245","","","","","","1.031","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115085","14.0608","0.0012","13.8902","0.0012","19.0465","0.0016","90","","98.487","0.002","90","","3679.2","0.5","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 Cu2 N2 O20 S4 -","- C24 H36 Cu2 N2 O20 S4 -","- C96 H144 Cu8 N8 O80 S16 -","4","1","","Heba Abourahma; Brian Moulton; Victor Kravtsov; Michael J. Zaworotko","Supramolecular Isomerism in Coordination Compounds: Nanoscale Molecular Hexagons and Chains","Journal of the American Chemical Society","2002","124","","9990","9991","10.1021/ja027371v","","","0.71073","MoKα","","0.0799","0.0512","","","0.1072","0.1176","","","","","","0.964","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115086","35.023","0.004","35.023","0.004","9.9711","0.0013","90","","90","","120","","10592","2","200","2","200","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C41 H40 Cu N6 O9 S0.08 -","- C17.25 H15.75 Cu1.5 N1.5 O15 S1.5 -","- C207 H189 Cu18 N18 O180 S18 -","12","1.33333","","Heba Abourahma; Brian Moulton; Victor Kravtsov; Michael J. Zaworotko","Supramolecular Isomerism in Coordination Compounds: Nanoscale Molecular Hexagons and Chains","Journal of the American Chemical Society","2002","124","","9990","9991","10.1021/ja027371v","","","0.71073","MoKα","","0.121","0.095","","","0.2176","0.2357","","","","","","0.992","","","","has coordinates,has disorder","178921","2020-10-21","18:00:00",""
"4115087","8.231","0.0012","9.6048","0.0012","17.243","0.002","75.61","0.01","78.168","0.01","64.983","0.01","1188.8","0.3","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 Cl2 O4 -","- C27 H22 Cl2 O4 -","- C54 H44 Cl4 O8 -","2","1","","Udo Verkerk; Megumi Fujita; Trevor L. Dzwiniel; Robert McDonald; Jeffrey M. Stryker","Tetrakis(2-hydroxyphenyl)ethene and Derivatives. A Structurally Preorganized Tetradentate Ligand System for Polymetallic Coordination Chemistry and Catalysis","Journal of the American Chemical Society","2002","124","","9988","9989","10.1021/ja027436u","","","1.54178","CuKa","","0.1162","0.0831","","0.2511","0.21","","","","1.046","1.132","1.132","","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115088","12.981","0.0015","12.9035","0.0015","17.957","0.002","90","","101.965","0.002","90","","2942.5","0.6","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H35 Mo O4.5 -","- C38 H35 Mo O4.5 -","- C152 H140 Mo4 O18 -","4","1","","Udo Verkerk; Megumi Fujita; Trevor L. Dzwiniel; Robert McDonald; Jeffrey M. Stryker","Tetrakis(2-hydroxyphenyl)ethene and Derivatives. A Structurally Preorganized Tetradentate Ligand System for Polymetallic Coordination Chemistry and Catalysis","Journal of the American Chemical Society","2002","124","","9988","9989","10.1021/ja027436u","","","0.71073","MoKα","","0.0851","0.0591","","","0.144","0.1576","","","","","","1.03","","","","has coordinates,has disorder","178921","2020-10-21","18:00:00",""
"4115089","12.7113","0.0005","17.9077","0.0007","20.9008","0.0009","78.881","0.003","74.132","0.003","83.404","0.003","4480.7","0.3","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C45.5 H60 Al4 O4 -","- C45.5 H56 Al4 O4 -","- C182 H224 Al16 O16 -","4","2","","Udo Verkerk; Megumi Fujita; Trevor L. Dzwiniel; Robert McDonald; Jeffrey M. Stryker","Tetrakis(2-hydroxyphenyl)ethene and Derivatives. A Structurally Preorganized Tetradentate Ligand System for Polymetallic Coordination Chemistry and Catalysis","Journal of the American Chemical Society","2002","124","","9988","9989","10.1021/ja027436u","","","1.54178","CuKa","","0.1129","0.0858","","0.2456","0.215","","","","1.049","1.079","1.079","","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115090","9.9804","0.0016","10.1025","0.0016","10.7724","0.0018","90","","107.403","0.003","90","","1036.4","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 B F3 O2 -","- C10 H10 B F3 O2 -","- C40 H40 B4 F12 O8 -","4","1","","Do Hyun Ryu; Thomas W. Lee; E. J. Corey","Broad-Spectrum Enantioselective Diels-Alder Catalysis by Chiral, Cationic Oxazaborolidines","Journal of the American Chemical Society","2002","124","","9992","9993","10.1021/ja027468h","","","0.71073","MoKα","","0.0531","0.0473","","","0.1361","0.142","","","","","","1.065","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115091","7.4487","0.0017","17.747","0.004","7.8625","0.0018","90","","104.66","0.005","90","","1005.5","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 B F3 O -","- C10 H10 B F3 O -","- C40 H40 B4 F12 O4 -","4","1","","Do Hyun Ryu; Thomas W. Lee; E. J. Corey","Broad-Spectrum Enantioselective Diels-Alder Catalysis by Chiral, Cationic Oxazaborolidines","Journal of the American Chemical Society","2002","124","","9992","9993","10.1021/ja027468h","","","0.71073","MoKα","","0.0628","0.0382","","","0.0936","0.0992","","","","","","1.062","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115092","9.777","0.0012","10.1641","0.0012","11.5487","0.0014","112.035","0.002","93.937","0.002","115.123","0.002","927","0.2","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 B Cl2 F3 O -","- C18 H16 B Cl2 F3 O -","- C36 H32 B2 Cl4 F6 O2 -","2","1","","Do Hyun Ryu; Thomas W. Lee; E. J. Corey","Broad-Spectrum Enantioselective Diels-Alder Catalysis by Chiral, Cationic Oxazaborolidines","Journal of the American Chemical Society","2002","124","","9992","9993","10.1021/ja027468h","","","0.71073","MoKα","","0.0874","0.0741","","","0.1549","0.1625","","","","","","1.13","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115093","15.265","0.002","15.265","0.002","24.461","0.005","90","","90","","120","","4936.3","1.4","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- K6 Na6 O92 Sb2 W18 Zn3 -","- K6 Na6 O92 Sb2 W18 Zn3 -","- K12 Na12 O184 Sb4 W36 Zn6 -","2","0.0833333","","Dirk Volkmer; Björn Bredenkötter; Jörg Tellenbröker; Paul Kögerler; Dirk G. Kurth; Pit Lehmann; Heimo Schnablegger; Dietmar Schwahn; Markus Piepenbrink; Bernt Krebs","Structure and Properties of the Dendron-Encapsulated Polyoxometalate (C52H60NO12)12[(Mn(H2O))3(SbW9O33)2], a First Generation Dendrizyme","Journal of the American Chemical Society","2002","124","","10489","10496","10.1021/ja017613b","","","0.71073","MoKα","","0.0512","0.0488","","","0.1278","0.1294","","","","","","1.227","","","","has coordinates,has disorder","178921","2020-10-21","18:00:00",""
"4115094","14.7937","0.0006","17.889","0.0007","18.2308","0.0008","87.653","0.002","71.1","0.002","83.745","0.002","4537.3","0.3","117","2","117","2","","","","","","","synthetic","5","P -1","-P 1","2","","","","- C94 H62 Br8 N8 O16 -","- C94 H62 Br8 N8 O16 -","- C188 H124 Br16 N16 O32 -","2","1","","Patrick Amrhein; Alexander Shivanyuk; Darren W. Johnson; Julius Rebek","Metal-Switching and Self-Inclusion of Functional Cavitands","Journal of the American Chemical Society","2002","124","","10349","10358","10.1021/ja0204269","","","1.5418","CuKα","","0.1145","0.1012","","","0.2716","0.2815","","","","","","1.041","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115095","19.817","0.004","29.334","0.006","17.757","0.004","90","","102.94","0.03","90","","10060","4","119","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94.25 H48 N8 O25.6 P2 -","- C94.28 H48 N8 O25.6 P2 -","- C377.12 H192 N32 O102.4 P8 -","4","0.5","","Patrick Amrhein; Alexander Shivanyuk; Darren W. Johnson; Julius Rebek","Metal-Switching and Self-Inclusion of Functional Cavitands","Journal of the American Chemical Society","2002","124","","10349","10358","10.1021/ja0204269","","","1.5418","CuKα","","0.1515","0.1418","","","0.4085","0.4256","","","","","","2.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115096","10.7288","0.0006","11.5841","0.0006","23.331","0.002","90","","95.678","0.002","90","","2885.4","0.3","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H31 Br2 N O8 S -","- C25 H31 Br2 N O8 S -","- C100 H124 Br8 N4 O32 S4 -","4","2","","Bernhard J. Paul; Jerremey Willis; Theodore A. Martinot; Ion Ghiviriga; Khalil A. Abboud; Tomas Hudlicky","Synthesis, Structure, and Biological Evaluation of Novel N- and O-Linked Diinositols","Journal of the American Chemical Society","2002","124","","10416","10426","10.1021/ja0205378","","","0.71073","MoKα","","0.1237","0.0437","","","0.0561","0.0683","","","","","","0.814","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115097","13.397","0.001","13.501","0.001","14.046","0.001","70.564","0.001","63.203","0.001","82.918","0.001","2137.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","1","","","- C48 H60 N2 Na O6 Ta -","- C48 H60 N2 Na O6 Ta -","- C96 H120 N4 Na2 O12 Ta2 -","2","1","","William W. Brennessel; John E. Ellis; Marie K. Pomije; Victor J. Sussman; Eugenijus Urnezius; Victor G. Young","Tris(η4-naphthalene)- and Tris(1-4-η4-anthracene)tantalate(1-): First Homoleptic Arene Complexes of Anionic Tantalum1","Journal of the American Chemical Society","2002","124","","10258","10259","10.1021/ja020725y","","","0.71073","MoKα","","0.0517","0.0361","","","0.0676","0.0719","","","","","","0.992","","","","has coordinates,has disorder","178921","2020-10-21","18:00:00",""
"4115098","13.361","0.006","14.95","0.006","15.172","0.007","118.511","0.006","105.512","0.007","95.155","0.007","2479.9","1.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","2","","","- C60 H66 N2 Na O6 Ta -","- C60 H66 N2 Na O6 Ta -","- C120 H132 N4 Na2 O12 Ta2 -","2","1","","William W. Brennessel; John E. Ellis; Marie K. Pomije; Victor J. Sussman; Eugenijus Urnezius; Victor G. Young","Tris(η4-naphthalene)- and Tris(1-4-η4-anthracene)tantalate(1-): First Homoleptic Arene Complexes of Anionic Tantalum1","Journal of the American Chemical Society","2002","124","","10258","10259","10.1021/ja020725y","","","0.71073","MoKα","","0.066","0.047","","","0.1051","0.1133","","","","","","1.016","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115099","12.383","0.002","16.693","0.002","19.026","0.002","90","","94.706","0.002","90","","3919.6","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3","","","- C42 H60 N2 Na O6 Ta -","- C42 H60 N2 Na O6 Ta -","- C168 H240 N8 Na4 O24 Ta4 -","4","1","","William W. Brennessel; John E. Ellis; Marie K. Pomije; Victor J. Sussman; Eugenijus Urnezius; Victor G. Young","Tris(η4-naphthalene)- and Tris(1-4-η4-anthracene)tantalate(1-): First Homoleptic Arene Complexes of Anionic Tantalum1","Journal of the American Chemical Society","2002","124","","10258","10259","10.1021/ja020725y","","","0.71073","MoKα","","0.0614","0.0377","","","0.0787","0.0829","","","","","","0.978","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115100","24.597","0.006","24.597","0.006","44.088","0.015","90","","90","","90","","26674","13","293","2","293","2","","","","","","","","2","I 41/a :2","-I 4ad","88","UCR-15","","","- In44 S72 -","- In44 S72 -","- In176 S288 -","4","0.25","","Cheng Wang; Xianhui Bu; Nanfeng Zheng; Pingyun Feng","Nanocluster with One Missing Core Atom: A Three-Dimensional Hybrid Superlattice Built from Dual-Sized Supertetrahedral Clusters","Journal of the American Chemical Society","2002","124","","10268","10269","10.1021/ja020735z","","","0.71073","MoKα","","0.1887","0.0769","","","0.2082","0.2517","","","","","","1.062","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115101","21.277","0.001","7.3744","0.0004","10.5498","0.0006","90","","94.884","0.002","90","","1649.31","0.15","160","1","160","1","","","","","","","","3","C 1 2 1","C 2y","5","","(1R)-2-exo-[(1S,2R,3S,4R)-3-methyl-bicyclo[2.2.1]hept-5-en-2- ylcarbonyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Claudio Palomo; Mikel Oiarbide; Jesús M. García; Alberto González; Ainara Lecumberri; Anthony Linden","A Chiral Acrylate Equivalent for Metal-Free Diels-Alder Reactions: endo-2-Acryloylisoborneol","Journal of the American Chemical Society","2002","124","","10288","10289","10.1021/ja025906e","","","0.71073","MoKα","","0.0754","0.0457","","0.0466","0.043","0.043","","","1.551","","","1.684","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115102","10.524","0.0002","7.1324","0.0002","20.2579","0.0005","90","","90.699","0.001","90","","1520.47","0.06","160","1","160","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R)-2-endo-[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-ylcarbonyl]-1,7,7- trimethylbicyclo[2.2.1]heptan-2-ol","","- C18 H26 O2 -","- C18 H26 O2 -","- C72 H104 O8 -","4","2","","Palomo, Claudio; Oiarbide, Mikel; García, Jesús M.; González, Alberto; Lecumberri, Ainara; Linden, Anthony","A Chiral Acrylate Equivalent for Metal-Free Diels-Alder Reactions: endo-2-Acryloylisoborneol","Journal of the American Chemical Society","2002","124","","10288","10289","10.1021/ja025906e","","","0.71073","MoKα","","0.0551","0.0453","","0.047","0.0462","0.0462","","","2.393","","","2.517","","","","has coordinates","209437","2020-10-21","18:00:00",""
"4115103","10.4081","0.0004","7.2528","0.0004","20.396","0.001","90","","96.562","0.002","90","","1529.56","0.13","160","1","160","1","","","","","","","","3","P 1 21 1","P 2yb","4","(1R)-2-exo-[(1S,2R,4S)-bicyclo[2.2.1]hept-5-en-2-ylcarbonyl]-1,7,7- trimethylbicyclo[2.2.1]heptan-2-ol","","","- C18 H26 O2 -","- C18 H26 O2 -","- C72 H104 O8 -","4","2","","Claudio Palomo; Mikel Oiarbide; Jesús M. García; Alberto González; Ainara Lecumberri; Anthony Linden","A Chiral Acrylate Equivalent for Metal-Free Diels-Alder Reactions: endo-2-Acryloylisoborneol","Journal of the American Chemical Society","2002","124","","10288","10289","10.1021/ja025906e","","","0.71073","MoKα","","0.088","0.0606","","0.0626","0.0596","0.0596","","","2.088","","","2.246","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115104","10.8142","0.0001","7.4436","0.0001","10.9707","0.0002","90","","109.102","0.0005","90","","834.48","0.02","160","1","160","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R)-2-endo-[(1R,2R,3S,4S)-3-methyl-bicyclo[2.2.1]hept-5-en-2- ylcarbonyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol","","- C19 H28 O2 -","- C19 H28 O2 -","- C38 H56 O4 -","2","1","","Claudio Palomo; Mikel Oiarbide; Jesús M. García; Alberto González; Ainara Lecumberri; Anthony Linden","A Chiral Acrylate Equivalent for Metal-Free Diels-Alder Reactions: endo-2-Acryloylisoborneol","Journal of the American Chemical Society","2002","124","","10288","10289","10.1021/ja025906e","","","0.71073","MoKα","","0.0516","0.0413","","0.0422","0.0411","0.0411","","","2.002","","","2.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115105","7.4939","0.0004","13.3721","0.0012","15.766","0.0009","90","","103.781","0.005","90","","1534.42","0.19","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Ramon Rios; Ciril Jimeno; Patrick J. Carroll; Patrick J. Walsh","Kinetic Resolution of Atropisomeric Amides","Journal of the American Chemical Society","2002","124","","10272","10273","10.1021/ja026436r","","","0.71069","MoKα","","0.0989","0.0897","","0.2134","0.207","","","","1.198","1.238","1.238","","","","","has coordinates,has disorder","178922","2020-10-21","18:00:00",""
"4115106","10.3976","0.0002","8.2455","0.0003","18.8852","0.0005","90","","94.255","0.002","90","","1614.63","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 N O4 -","- C16 H25 N O4 -","- C64 H100 N4 O16 -","4","1","","Ramon Rios; Ciril Jimeno; Patrick J. Carroll; Patrick J. Walsh","Kinetic Resolution of Atropisomeric Amides","Journal of the American Chemical Society","2002","124","","10272","10273","10.1021/ja026436r","","","0.71069","MoKα","","0.0509","0.0467","","0.1146","0.1116","","","","1.098","1.113","1.113","","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115107","11.649","0.0006","26.0118","0.0011","16.281","0.009","90","","105.335","0.003","90","","4758","3","183.2","","183.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H51 B F4 Ir N3 P2 -","- C53 H51 B F4 Ir N3 P2 -","- C212 H204 B4 F16 Ir4 N12 P8 -","4","1","","Stephan Gründemann; Anes Kovacevic; Martin Albrecht; Jack W. Faller; Robert H. Crabtree","Abnormal Ligand Binding and Reversible Ring Hydrogenation in the Reaction of Imidazolium Salts with IrH5(PPh3)2","Journal of the American Chemical Society","2002","124","","10473","10481","10.1021/ja026735g","","","0.7107","MoKα","","0.1423","0.033","","0.071","","0.033","","","0.913","","","0.75","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115108","14.101","0.0006","14.2829","0.0007","14.4166","0.0005","79.144","0.003","64.676","0.003","88.336","0.003","2573.2","0.2","183.2","","183.2","","","","","","","","","8","P -1","-P 1","2","","","","- C55 H52 B Cl3 F4 Ir N3 P2 -","- C55 H52 B Cl3 F4 Ir N3 P2 -","- C110 H104 B2 Cl6 F8 Ir2 N6 P4 -","2","1","","Stephan Gründemann; Anes Kovacevic; Martin Albrecht; Jack W. Faller; Robert H. Crabtree","Abnormal Ligand Binding and Reversible Ring Hydrogenation in the Reaction of Imidazolium Salts with IrH5(PPh3)2","Journal of the American Chemical Society","2002","124","","10473","10481","10.1021/ja026735g","","","0.7107","MoKα","","0.0382","0.038","","0.046","","0.046","","","1.182","","","1.18","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115109","9.4493","0.0002","20.6687","0.0006","22.0865","0.0006","90","","90.16","0.002","90","","4313.58","0.19","183.2","","183.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H47 B F4 Ir N3 P2 -","- C48 H47 B F4 Ir N3 P2 -","- C192 H188 B4 F16 Ir4 N12 P8 -","4","1","","Stephan Gründemann; Anes Kovacevic; Martin Albrecht; Jack W. Faller; Robert H. Crabtree","Abnormal Ligand Binding and Reversible Ring Hydrogenation in the Reaction of Imidazolium Salts with IrH5(PPh3)2","Journal of the American Chemical Society","2002","124","","10473","10481","10.1021/ja026735g","","","0.7107","MoKα","","0.0773","0.033","","0.05","","0.035","","","0.905","","","0.88","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115110","10.7855","0.0004","22.7449","0.0011","11.3115","0.0004","90","","101.571","0.003","90","","2718.49","0.19","183.2","","183.2","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C53 H49 B Cl6 F4 Ir N3 P2 -","- C53 H49 B Cl6 F4 Ir N3 P2 -","- C106 H98 B2 Cl12 F8 Ir2 N6 P4 -","2","0.5","","Stephan Gründemann; Anes Kovacevic; Martin Albrecht; Jack W. Faller; Robert H. Crabtree","Abnormal Ligand Binding and Reversible Ring Hydrogenation in the Reaction of Imidazolium Salts with IrH5(PPh3)2","Journal of the American Chemical Society","2002","124","","10473","10481","10.1021/ja026735g","","","0.7107","MoKα","","0.0389","0.039","","0.041","","0.041","","","1.01","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115111","8.782","0.0003","15.8777","0.0006","19.9676","0.0008","71.202","0.001","80.106","0.001","88.804","0.001","2594.75","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H43 B3 O2 Ru2 -","- C24 H43 B3 O2 Ru2 -","- C96 H172 B12 O8 Ru8 -","4","2","","Hong Yan; Alicia M. Beatty; Thomas P. Fehlner","Facile Hydrometalation of Alkynes by nido-1,2-(Cp*RuH)2B3H7 Yielding Novel Ru-B Edge-Bridging Alkylidenes. Stepwise Conversion of HC\τbCC(O)OMe into nido-1,2-(Cp*RuH)2-3-HOB-4-MeC-5-MeOC-BH3, Cp* = η5-C5Me5","Journal of the American Chemical Society","2002","124","","10280","10281","10.1021/ja026738t","","","0.71073","MoKα","","0.0289","0.0254","","","0.0606","0.0624","","","","","","1.032","","","","has coordinates,has disorder","178922","2020-10-21","18:00:00",""
"4115112","8.8737","0.0005","17.6413","0.0009","33.5339","0.0018","90","","90","","90","","5249.5","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H43 B3 O2 Ru2 -","- C24 H43 B3 O2 Ru2 -","- C192 H344 B24 O16 Ru16 -","8","1","","Hong Yan; Alicia M. Beatty; Thomas P. Fehlner","Facile Hydrometalation of Alkynes by nido-1,2-(Cp*RuH)2B3H7 Yielding Novel Ru-B Edge-Bridging Alkylidenes. Stepwise Conversion of HC\τbCC(O)OMe into nido-1,2-(Cp*RuH)2-3-HOB-4-MeC-5-MeOC-BH3, Cp* = η5-C5Me5","Journal of the American Chemical Society","2002","124","","10280","10281","10.1021/ja026738t","","","0.71073","MoKα","","0.0311","0.0304","","","0.0751","0.0756","","","","","","1.103","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115113","11.4297","0.0007","14.8019","0.0009","15.4447","0.0009","90","","93.053","0.001","90","","2609.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H43 B3 O2 Ru2 -","- C24 H43 B3 O2 Ru2 -","- C96 H172 B12 O8 Ru8 -","4","1","","Hong Yan; Alicia M. Beatty; Thomas P. Fehlner","Facile Hydrometalation of Alkynes by nido-1,2-(Cp*RuH)2B3H7 Yielding Novel Ru-B Edge-Bridging Alkylidenes. Stepwise Conversion of HC\τbCC(O)OMe into nido-1,2-(Cp*RuH)2-3-HOB-4-MeC-5-MeOC-BH3, Cp* = η5-C5Me5","Journal of the American Chemical Society","2002","124","","10280","10281","10.1021/ja026738t","","","0.71073","MoKα","","0.0449","0.0337","","","0.0804","0.084","","","","","","1.001","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115114","8.508","0.0004","13.903","0.0006","21.8889","0.0009","90","","92.213","0.001","90","","2587.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 B2 O2 Ru2 -","- C24 H42 B2 O2 Ru2 -","- C96 H168 B8 O8 Ru8 -","4","1","","Hong Yan; Alicia M. Beatty; Thomas P. Fehlner","Facile Hydrometalation of Alkynes by nido-1,2-(Cp*RuH)2B3H7 Yielding Novel Ru-B Edge-Bridging Alkylidenes. Stepwise Conversion of HC\τbCC(O)OMe into nido-1,2-(Cp*RuH)2-3-HOB-4-MeC-5-MeOC-BH3, Cp* = η5-C5Me5","Journal of the American Chemical Society","2002","124","","10280","10281","10.1021/ja026738t","","","0.71073","MoKα","","0.0304","0.0268","","","0.0642","0.066","","","","","","1.056","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115115","6.9799","0.001","9.5144","0.0013","12.3951","0.0018","105.365","0.002","97.975","0.002","103.545","0.003","753.74","0.19","193","2","193","2","","","","","","","","6","P -1","-P 1","2","Au2{S2P(OMe)2}2","","","- C4 H12 Au2 O4 P2 S4 -","- C4 H12 Au2 O4 P2 S4 -","- C8 H24 Au4 O8 P4 S8 -","2","1","","Young-A Lee; James E. McGarrah; Rene J. Lachicotte; Richard Eisenberg","Multiple Emissions and Brilliant White Luminescence from Gold(I) O,O'-Di(alkyl)dithiophosphate Dimers","Journal of the American Chemical Society","2002","124","","10662","10663","10.1021/ja0267876","","","0.71073","MoKα","","0.0677","0.0652","","","0.1785","0.181","","","","","","1.2","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115116","8.3143","0.0007","9.4747","0.0008","24.851","0.002","100.182","0.002","90.635","0.002","95.133","0.002","1918.4","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","Au2{S2P(OEt)2}2","","","- C16 H40 Au4 O8 P4 S8 -","- C16 H40 Au4 O8 P4 S8 -","- C32 H80 Au8 O16 P8 S16 -","2","1","","Young-A Lee; James E. McGarrah; Rene J. Lachicotte; Richard Eisenberg","Multiple Emissions and Brilliant White Luminescence from Gold(I) O,O'-Di(alkyl)dithiophosphate Dimers","Journal of the American Chemical Society","2002","124","","10662","10663","10.1021/ja0267876","","","0.71073","MoKα","","0.0737","0.0696","","","0.1747","0.1773","","","","","","1.17","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115117","20.183","0.0004","20.183","0.0004","4.459","0.0001","90","","90","","90","","1816.39","0.07","200","2","200","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- C6 H6 Te2 -","- C7 H6 Te2 -","- C56 H48 Te16 -","8","0.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Nanotube Formation Favored by Chalcogen-Chalcogen Interactions","Journal of the American Chemical Society","2002","124","","10638","10639","10.1021/ja027146d","","","0.71073","MoKα","","0.0777","0.0454","","","0.0976","0.1176","","","","","","1.091","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115118","20.559","0.0002","20.559","0.0002","9.9385","0.0002","90","","90","","120","","3637.94","0.09","200","2","200","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C18 H24 S6 -","- C21 H24 S6 -","- C126 H144 S36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Nanotube Formation Favored by Chalcogen-Chalcogen Interactions","Journal of the American Chemical Society","2002","124","","10638","10639","10.1021/ja027146d","","","0.71073","MoKα","","0.0315","0.028","","","0.0838","0.0865","","","","","","1.219","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115119","24.0134","0.0001","24.0134","0.0001","9.8698","0.0001","90","","90","","120","","4928.86","0.06","200","2","200","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H30 S6 -","- C32.09 H30 S6 -","- C192.54 H180 S36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Nanotube Formation Favored by Chalcogen-Chalcogen Interactions","Journal of the American Chemical Society","2002","124","","10638","10639","10.1021/ja027146d","","","0.71073","MoKα","","0.0662","0.0379","","","0.0928","0.1031","","","","","","1.031","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115120","9.6703","0.0001","14.3531","0.0001","14.6377","0.0002","114.018","0.001","102.792","0.001","102.077","0.001","1704.47","0.04","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H38 S6 -","- C34 H38 S6 -","- C68 H76 S12 -","2","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Nanotube Formation Favored by Chalcogen-Chalcogen Interactions","Journal of the American Chemical Society","2002","124","","10638","10639","10.1021/ja027146d","","","0.71073","MoKα","","0.0887","0.0531","","","0.1307","0.1453","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115121","24.0399","0.0006","24.0399","0.0006","10.2535","0.0004","90","","90","","120","","5131.8","0.3","200","2","200","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H30 Se6 -","- C33.39 H30 Se6 -","- C200.34 H180 Se36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Nanotube Formation Favored by Chalcogen-Chalcogen Interactions","Journal of the American Chemical Society","2002","124","","10638","10639","10.1021/ja027146d","","","0.71073","MoKα","","0.0589","0.0337","","","0.0786","0.087","","","","","","1.029","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115122","9.8742","0.0002","14.3502","0.0004","14.4637","0.0004","111.956","0.001","102.84","0.001","103.67","0.001","1733.81","0.08","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H38 Se6 -","- C34 H38 Se6 -","- C68 H76 Se12 -","2","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Nanotube Formation Favored by Chalcogen-Chalcogen Interactions","Journal of the American Chemical Society","2002","124","","10638","10639","10.1021/ja027146d","","","0.71073","MoKα","","0.1182","0.0735","","","0.1843","0.2088","","","","","","1.025","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115123","24.5349","0.0005","24.5349","0.0005","10.0177","0.0003","90","","90","","120","","5222.4","0.2","200","2","200","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H35 Cl Se6 -","- C32.94 H34.95 Cl0.99 Se6 -","- C197.64 H209.7 Cl5.94 Se36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Nanotube Formation Favored by Chalcogen-Chalcogen Interactions","Journal of the American Chemical Society","2002","124","","10638","10639","10.1021/ja027146d","","","0.71073","MoKα","","0.0467","0.0318","","","0.0811","0.0872","","","","","","1.071","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115124","9.7177","0.0005","14.7028","0.0008","14.9561","0.0008","114.526","0.002","103.21","0.001","101.399","0.001","1786.45","0.17","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H40 Se6 -","- C35 H40 Se6 -","- C70 H80 Se12 -","2","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Nanotube Formation Favored by Chalcogen-Chalcogen Interactions","Journal of the American Chemical Society","2002","124","","10638","10639","10.1021/ja027146d","","","0.71073","MoKα","","0.1158","0.049","","","0.0743","0.0897","","","","","","0.959","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115125","26.0198","0.0019","26.0198","0.0019","40.147","0.006","90","","90","","120","","23539","4","173","2","173","2","","","","","","","Elizabeth Lewis","7","R -3 :H","-R 3","148","02148","L1Cu(O)2CuL2","","- C37 H59 Cu2 F3 N4 O5 S -","- C37 H59 Cu2 F3 N4 O5 S -","- C666 H1062 Cu36 F54 N72 O90 S18 -","18","1","","Nermeen W. Aboelella; Elizabeth A. Lewis; Anne M. Reynolds; William W. Brennessel; Christopher J. Cramer; William B. Tolman","Snapshots of Dioxygen Activation by Copper: The Structure of a 1:1 Cu/O2 Adduct and Its Use in Syntheses of Asymmetric Bis(μ-oxo) Complexes","Journal of the American Chemical Society","2002","124","","10660","10661","10.1021/ja027164v","","","0.71073","MoKα","","0.065","0.0409","","","0.0982","0.1049","","","","","","0.973","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115126","15.464","0.004","17.324","0.004","8.763","0.002","90","","90","","90","","2347.6","1","173","2","173","2","","","","","","","Nermeen W. Aboelella","5","I m m 2","I 2 -2","44","02073","(tbu)2LiPrCu(O2)","","- C47 H77 Cu N2 O5 -","- C35 H55 Cu N2 O2 -","- C70 H110 Cu2 N4 O4 -","2","0.25","","Nermeen W. Aboelella; Elizabeth A. Lewis; Anne M. Reynolds; William W. Brennessel; Christopher J. Cramer; William B. Tolman","Snapshots of Dioxygen Activation by Copper: The Structure of a 1:1 Cu/O2 Adduct and Its Use in Syntheses of Asymmetric Bis(μ-oxo) Complexes","Journal of the American Chemical Society","2002","124","","10660","10661","10.1021/ja027164v","","","0.71073","MoKα","","0.1083","0.0867","","","0.1853","0.1988","","","","","","1.016","","","","has coordinates,has disorder","178922","2020-10-21","18:00:00",""
"4115127","18.299","0.003","24.192","0.004","23.679","0.004","90","","110.002","0.003","90","","9850","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C91 H101 Cl16 N10 O14 -","- C90.999 H101 Cl16 N10 O14 -","- C363.996 H404 Cl64 N40 O56 -","4","1","","Jerry L. Atwood; Agnieszka Szumna","Hydrogen Bonds Seal Single-Molecule Capsules","Journal of the American Chemical Society","2002","124","","10646","10647","10.1021/ja027191l","","","0.71073","MoKα","","0.129","0.0694","","","0.1857","0.2286","","","","","","1.028","","","","has coordinates,has disorder","178922","2020-10-21","18:00:00",""
"4115128","13.171","0.002","20.108","0.003","15.371","0.002","90","","100.137","0.003","90","","4007.3","1","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C82 H100 Cl2.39 N9 O14 -","- C82 H100 Cl2.29 N9 O14 -","- C164 H200 Cl4.58 N18 O28 -","2","0.5","","Jerry L. Atwood; Agnieszka Szumna","Hydrogen Bonds Seal Single-Molecule Capsules","Journal of the American Chemical Society","2002","124","","10646","10647","10.1021/ja027191l","","","0.71073","MoKα","","0.1799","0.0926","","","0.2594","0.3359","","","","","","1.037","","","","has coordinates,has disorder","178922","2020-10-21","18:00:00",""
"4115129","9.912","0.004","7.252","0.002","13.582","0.004","90","","114.32","0.05","90","1","889.7","0.6","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C40 H36 N4 O8 -","2","0.5","","Tram Hoang; Joseph W. Lauher; Frank W. Fowler","The Topochemical 1,6-Polymerization of a Triene","Journal of the American Chemical Society","2002","124","","10656","10657","10.1021/ja027444a","","","","","","0.0712","0.071","","0.0519","","0.052","","","2.401","","","2.4","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4115130","11.183","0.004","7.204","0.002","11.683","0.004","90","","113.89","0.02","90","","860.6","0.5","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C40 H36 N4 O8 -","2","0.5","","Tram Hoang; Joseph W. Lauher; Frank W. Fowler","The Topochemical 1,6-Polymerization of a Triene","Journal of the American Chemical Society","2002","124","","10656","10657","10.1021/ja027444a","","","","","","0.0874","0.087","","0.0477","","0.048","","","3.121","","","3.12","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4115131","8.9122","0.0019","17.462","0.002","14.988","0.002","90","","97.694","0.015","90","","2311.5","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H28 F12 N5 Ni O P2 -","- C13 H26 F12 N5 Ni O P2 -","- C52 H104 F48 N20 Ni4 O4 P8 -","4","1","","Myunghyun Paik Suh; Jung Woo Ko; Hye Jin Choi","A Metal-Organic Bilayer Open Framework with a Dynamic Component: Single-Crystal-to-Single-Crystal Transformations","Journal of the American Chemical Society","2002","124","","10976","10977","10.1021/ja017560y","","","0.71073","MoKα","","0.1164","0.0776","","","0.1876","0.2064","","","","","","0.927","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115132","16.505","","19.945","0.001","20.664","0.001","73.003","0.001","68.24","0.001","76.073","0.003","5974.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H135 N18 Ni3 O30 -","- C72 H99 N18 Ni3 O30 -","- C144 H198 N36 Ni6 O60 -","2","1","","Myunghyun Paik Suh; Jung Woo Ko; Hye Jin Choi","A Metal-Organic Bilayer Open Framework with a Dynamic Component: Single-Crystal-to-Single-Crystal Transformations","Journal of the American Chemical Society","2002","124","","10976","10977","10.1021/ja017560y","","","0.71073","MoKα","","0.2077","0.0899","","","0.2488","0.3034","","","","","","0.943","","","","has coordinates,has disorder","178922","2020-10-21","18:00:00",""
"4115133","16.42","0.001","19.817","0.002","20.439","0.002","70.322","0.004","68.554","0.005","76.193","0.005","5777.9","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H114 N15 Ni3 O27 -","- C57 H84 N15 Ni3 O27 -","- C114 H168 N30 Ni6 O54 -","2","1","","Myunghyun Paik Suh; Jung Woo Ko; Hye Jin Choi","A Metal-Organic Bilayer Open Framework with a Dynamic Component: Single-Crystal-to-Single-Crystal Transformations","Journal of the American Chemical Society","2002","124","","10976","10977","10.1021/ja017560y","","","0.71073","MoKα","","0.3566","0.1839","","","0.4194","0.5211","","","","","","1.304","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115134","12.382","0.002","16.375","0.003","19.952","0.004","74.505","0.007","89.255","0.009","84.184","0.005","3877.9","1.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C114 H184 N30 Ni6 O28 -","- C114 H166 N30 Ni6 O28 -","- C114 H166 N30 Ni6 O28 -","1","1","","Myunghyun Paik Suh; Jung Woo Ko; Hye Jin Choi","A Metal-Organic Bilayer Open Framework with a Dynamic Component: Single-Crystal-to-Single-Crystal Transformations","Journal of the American Chemical Society","2002","124","","10976","10977","10.1021/ja017560y","","","0.71073","MoKα","","0.2965","0.1491","","","0.3791","0.4548","","","","","","1.299","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115135","16.467","","20.134","0.001","20.72","0.001","72.532","0.001","67.939","0.001","75.042","0.002","5990.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C107 H141 N25 Ni3 O15 -","- C107 H135 N25 Ni3 O15 -","- C214 H270 N50 Ni6 O30 -","2","1","","Myunghyun Paik Suh; Jung Woo Ko; Hye Jin Choi","A Metal-Organic Bilayer Open Framework with a Dynamic Component: Single-Crystal-to-Single-Crystal Transformations","Journal of the American Chemical Society","2002","124","","10976","10977","10.1021/ja017560y","","","0.71073","MoKα","","0.2819","0.1279","","","0.3551","0.4201","","","","","","1.108","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115136","16.46","0.005","19.849","0.005","20.419","0.005","70.498","0.005","71.084","0.005","76.297","0.005","5887","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C99 H145 N15 Ni3 O21.5 -","- C99 H126 N15 Ni3 O21.5 -","- C198 H252 N30 Ni6 O43 -","2","1","","Myunghyun Paik Suh; Jung Woo Ko; Hye Jin Choi","A Metal-Organic Bilayer Open Framework with a Dynamic Component: Single-Crystal-to-Single-Crystal Transformations","Journal of the American Chemical Society","2002","124","","10976","10977","10.1021/ja017560y","","","0.71073","MoKα","","0.4091","0.1299","","","0.3464","0.4543","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115137","16.65","0.001","8.338","0.001","10.177","0.001","90","","101.84","0.01","90","","1382.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4b-Hydroxy-4b,6,7,8,10,11-hexahydro-5H-8,11a-diaza- cyclonona[a]indene-9,12-dione, C14 H16 N2 O3","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C56 H72 N8 O16 -","4","1","","Axel G. Griesbeck; Thomas Heinrich; Michael Oelgemöller; Johann Lex; Arne Molis","A Photochemical Route for Efficient Cyclopeptide Formation with a Minimum of Protection and Activation Chemistry","Journal of the American Chemical Society","2002","124","","10972","10973","10.1021/ja025804o","","","0.71073","MoKα","","0.0599","0.0396","","","0.0902","0.0994","","","","","","1.012","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115138","19.081","0.001","11.196","0.001","13.965","0.001","90","","111.48","0.01","90","","2776.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4b-Hydroxy-4b,6,7,8,9,10-hexahydro-5H-10,12a-diaza- cyclodeca[a]indene-11,13-dione, C15 H18 N2 O3","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C120 H144 N16 O24 -","8","2","","Axel G. Griesbeck; Thomas Heinrich; Michael Oelgemöller; Johann Lex; Arne Molis","A Photochemical Route for Efficient Cyclopeptide Formation with a Minimum of Protection and Activation Chemistry","Journal of the American Chemical Society","2002","124","","10972","10973","10.1021/ja025804o","","","0.71073","MoKα","","0.1377","0.0653","","","0.1534","0.2027","","","","","","1.1","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115139","10.0591","0.0008","11.8948","0.0009","14.9672","0.0012","112.01","0.01","90.94","0.02","105.35","0.02","1587.6","0.3","203","2","203","2","","","","","","","","6","P -1","-P 1","2","[Me4C2Cp2CrCO][HB(C6F5)3]","","","- C35 H21 B Cr F15 O -","- C35 H21 B Cr F15 O -","- C70 H42 B2 Cr2 F30 O2 -","2","1","","Piet-Jan Sinnema; Pamela J. Shapiro; David Min Jin Foo; Brendan Twamley","Zwitterionic Ring-Borylatedansa-Chromocene Complexes","Journal of the American Chemical Society","2002","124","","10996","10997","10.1021/ja026633q","","","0.71073","MoKα","","0.0642","0.0467","","","0.1169","0.1258","","","","","","1.042","","","","has coordinates,has disorder","178922","2020-10-21","18:00:00",""
"4115140","11.078","0.0011","12.1571","0.0012","16.0434","0.0016","106.75","0.01","101.15","0.01","108.26","0.01","1866.8","0.4","203","2","203","2","","","","","","","","6","P -1","-P 1","2","Me4C2Cp2Cr(CO)(H)B(C6F5)3","","","- C42 H28 B Cr F15 O -","- C42 H28 B Cr F15 O -","- C84 H56 B2 Cr2 F30 O2 -","2","1","","Piet-Jan Sinnema; Pamela J. Shapiro; David Min Jin Foo; Brendan Twamley","Zwitterionic Ring-Borylatedansa-Chromocene Complexes","Journal of the American Chemical Society","2002","124","","10996","10997","10.1021/ja026633q","","","0.71073","MoKα","","0.0837","0.0671","","","0.1259","0.1317","","","","","","1.227","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115141","15.952","0.003","8.9873","0.0015","21.434","0.004","90","","102.47","0.03","90","","3000.4","1","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(F5C6)3BCp2CrC2Me4","","","- C34 H19 B Cr F15 -","- C34 H19 B Cr F15 -","- C136 H76 B4 Cr4 F60 -","4","1","","Piet-Jan Sinnema; Pamela J. Shapiro; David Min Jin Foo; Brendan Twamley","Zwitterionic Ring-Borylatedansa-Chromocene Complexes","Journal of the American Chemical Society","2002","124","","10996","10997","10.1021/ja026633q","","","0.71073","MoKα","","0.1724","0.0651","","","0.1116","0.1455","","","","","","0.958","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115142","15.246","0.002","47.223","0.007","26.657","0.004","90","","98.373","0.003","90","","18987","5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Rb-2,2,2-crypt)6[Ge9=Ge9=Ge9].3en","","- C114 H240 Ge27 N18 O36 Rb6 -","- C114 H240.06 Ge27 N18 O36 Rb6 -","- C456 H960.24 Ge108 N72 O144 Rb24 -","4","1","","Angel Ugrinov; Slavi C. Sevov","[Ge9Ge9Ge9]6-: A Linear Trimer of 27 Germanium Atoms","Journal of the American Chemical Society","2002","124","","10990","10991","10.1021/ja026679j","","","0.71073","MoKα","","0.1448","0.0728","","","0.1878","0.2274","","","","","","1.017","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115143","17.5069","0.0006","31.2182","0.0011","16.0615","0.0006","90","","90","","90","","8778.2","0.5","243","2","243","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C15 H22 Cl Co N5 O10 P -","- C15 H18 Cl Co N5 O10 P -","- C240 H288 Cl16 Co16 N80 O160 P16 -","16","1","","Jik Chin; Suhman Chung; Dong H. Kim","Synergistic Effect between Metal Coordination and Hydrogen Bonding in Phosphate and Halide Recognition","Journal of the American Chemical Society","2002","124","","10948","10949","10.1021/ja026920u","","","0.71073","MoKα","","0.0734","0.0653","","","0.1597","0.1654","","","","","","1.107","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115144","6.5279","0.0013","12.935","0.003","12.849","0.003","90","","90","","90","","1084.9","0.4","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H18 Cl3 N3 O -","- C4 H18 Cl3 N3 O -","- C16 H72 Cl12 N12 O4 -","4","0.5","","Colin A. Bremner; Michael Simpson; William T. A. Harrison","New Molecular Perovskites: Cubic C4N2H12.NH4Cl3.H2O and 2-H Hexagonal C6N2H14.NH4Cl3","Journal of the American Chemical Society","2002","124","","10960","10961","10.1021/ja027484e","","","0.71073","MoKα","","0.05","0.0307","","","0.0758","0.0817","","","","","","0.938","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4115145","16.1616","0.0002","16.1616","0.0002","22.3496","0.0004","90","","90","","120","","5055.56","0.13","120","2","120","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C6 H18 Cl3 N3 -","- C6 H14 Cl3 N3 -","- C108 H252 Cl54 N54 -","18","1.5","","Colin A. Bremner; Michael Simpson; William T. A. Harrison","New Molecular Perovskites: Cubic C4N2H12.NH4Cl3.H2O and 2-H Hexagonal C6N2H14.NH4Cl3","Journal of the American Chemical Society","2002","124","","10960","10961","10.1021/ja027484e","","","0.71073","MoKα","","0.1348","0.0676","","","0.2188","0.2603","","","","","","1.167","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115146","20.048","0.004","13.737","0.003","20.285","0.004","90","","90","","90","","5586","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl2 N O P2 Re -","- C28 H28 Cl2 N O P2 Re -","- C224 H224 Cl16 N8 O8 P16 Re8 -","8","1","","Cristina Bolzati; Alessandra Boschi; Licia Uccelli; Francesco Tisato; Fiorenzo Refosco; Aldo Cagnolini; Adriano Duatti; Sushumna Prakash; Giuliano Bandoli; Andrea Vittadini","Chemistry of the Strong Electrophilic Metal Fragment [99Tc(N)(PXP)]2+ (PXP = Diphosphine Ligand). A Novel Tool for the Selective Labeling of Small Molecules","Journal of the American Chemical Society","2002","124","","11468","11479","10.1021/ja0200239","","","0.71073","MoKα","","0.0932","0.0636","","","0.1611","0.1877","","","","","","1.008","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115147","13.365","0.003","18.259","0.004","14.294","0.003","90","","116.63","0.03","90","","3118.2","1.4","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C31 H35 Cl2 N2 O P2 Re -","- C31 H35 Cl2 N2 O P2 Re -","- C124 H140 Cl8 N8 O4 P8 Re4 -","4","1","","Cristina Bolzati; Alessandra Boschi; Licia Uccelli; Francesco Tisato; Fiorenzo Refosco; Aldo Cagnolini; Adriano Duatti; Sushumna Prakash; Giuliano Bandoli; Andrea Vittadini","Chemistry of the Strong Electrophilic Metal Fragment [99Tc(N)(PXP)]2+ (PXP = Diphosphine Ligand). A Novel Tool for the Selective Labeling of Small Molecules","Journal of the American Chemical Society","2002","124","","11468","11479","10.1021/ja0200239","","","0.71073","MoKα","","0.031","0.0273","","","0.0627","0.0646","","","","","","1.024","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115148","16.405","0.003","15.042","0.003","15.228","0.003","90","","97.39","0.03","90","","3726.5","1.3","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 B F4 N3 O2 P2 S2 Tc -","- C32.5 H34 B F4 N3 O1.25 P2 S2 Tc -","- C130 H136 B4 F16 N12 O5 P8 S8 Tc4 -","4","1","","Cristina Bolzati; Alessandra Boschi; Licia Uccelli; Francesco Tisato; Fiorenzo Refosco; Aldo Cagnolini; Adriano Duatti; Sushumna Prakash; Giuliano Bandoli; Andrea Vittadini","Chemistry of the Strong Electrophilic Metal Fragment [99Tc(N)(PXP)]2+ (PXP = Diphosphine Ligand). A Novel Tool for the Selective Labeling of Small Molecules","Journal of the American Chemical Society","2002","124","","11468","11479","10.1021/ja0200239","","","0.71073","MoKα","","0.0619","0.0443","","","0.11","0.1211","","","","","","1.049","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115149","15.065","0.003","14.705","0.003","16.318","0.003","90","","108.31","0.03","90","","3431.9","1.3","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 B F4 N3 O P2 Re S2 -","- C31 H34 B F4 N3 O P2 Re S2 -","- C124 H136 B4 F16 N12 O4 P8 Re4 S8 -","4","1","","Cristina Bolzati; Alessandra Boschi; Licia Uccelli; Francesco Tisato; Fiorenzo Refosco; Aldo Cagnolini; Adriano Duatti; Sushumna Prakash; Giuliano Bandoli; Andrea Vittadini","Chemistry of the Strong Electrophilic Metal Fragment [99Tc(N)(PXP)]2+ (PXP = Diphosphine Ligand). A Novel Tool for the Selective Labeling of Small Molecules","Journal of the American Chemical Society","2002","124","","11468","11479","10.1021/ja0200239","","","0.71073","MoKα","","0.0791","0.0577","","","0.1578","0.1789","","","","","","0.986","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115150","11.389","0.002","11.056","0.002","29.871","0.006","90","","93.1","0.03","90","","3755.8","1.2","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 B F4 N4 O P2 S2 Tc -","- C34 H41 B F4 N4 O P2 S2 Tc -","- C136 H164 B4 F16 N16 O4 P8 S8 Tc4 -","4","1","","Cristina Bolzati; Alessandra Boschi; Licia Uccelli; Francesco Tisato; Fiorenzo Refosco; Aldo Cagnolini; Adriano Duatti; Sushumna Prakash; Giuliano Bandoli; Andrea Vittadini","Chemistry of the Strong Electrophilic Metal Fragment [99Tc(N)(PXP)]2+ (PXP = Diphosphine Ligand). A Novel Tool for the Selective Labeling of Small Molecules","Journal of the American Chemical Society","2002","124","","11468","11479","10.1021/ja0200239","","","0.71073","MoKα","","0.1234","0.0939","","","0.1984","0.2142","","","","","","1.169","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115151","20.88","0.005","3.928","0.001","8.61","0.002","90","","90","","90","","706.2","0.3","203","2","203","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(E)-2-Butenoic acid 4-amino-4-oxo ethyl ester","","- C6 H9 N O3 -","- C6 H9 N O3 -","- C24 H36 N4 O12 -","4","1","","Paul W. Baures; Alicia M. Beatty; Muthu Dhanasekaran; Brian A. Helfrich; Waleska Pérez-Segarra; John Desper","Solution and Solid-State Models of Peptide CH...O Hydrogen Bonds","Journal of the American Chemical Society","2002","124","","11315","11323","10.1021/ja0257366","","","0.71073","MoKα","","0.0299","0.0257","","","0.0625","0.0646","","","","","","1.104","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115152","17.632","0.004","14.097","0.003","4.9199","0.001","90","","90","","90","","1222.9","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","N-benzyl fumaric hemiamide ethyl ester","(E)-2-Butenoic acid 4-oxo-4[(phenylmethyl)amino] ethyl ester","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Paul W. Baures; Alicia M. Beatty; Muthu Dhanasekaran; Brian A. Helfrich; Waleska Pérez-Segarra; John Desper","Solution and Solid-State Models of Peptide CH...O Hydrogen Bonds","Journal of the American Chemical Society","2002","124","","11315","11323","10.1021/ja0257366","","","0.71073","MoKα","","0.1144","0.0436","","","0.0729","0.0818","","","","","","1.105","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115153","9.9748","0.0018","12.13","0.002","9.5533","0.0016","90","","90","","90","","1155.9","0.3","203","2","203","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(phenylacetyl)glycine ethyl ester","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Paul W. Baures; Alicia M. Beatty; Muthu Dhanasekaran; Brian A. Helfrich; Waleska Pérez-Segarra; John Desper","Solution and Solid-State Models of Peptide CH...O Hydrogen Bonds","Journal of the American Chemical Society","2002","124","","11315","11323","10.1021/ja0257366","","","0.71073","MoKα","","0.0487","0.0333","","","0.0688","0.0732","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115154","13.514","0.006","4.7974","0.0019","21.238","0.01","90","","97.137","0.007","90","","1366.2","1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","N-cinnamoyl alanine amide","(S)-Valine-N-[(2E)-1-oxo-3-phenyl-2-propenyl) amide","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C56 H72 N8 O8 -","4","1","","Paul W. Baures; Alicia M. Beatty; Muthu Dhanasekaran; Brian A. Helfrich; Waleska Pérez-Segarra; John Desper","Solution and Solid-State Models of Peptide CH...O Hydrogen Bonds","Journal of the American Chemical Society","2002","124","","11315","11323","10.1021/ja0257366","","","0.71073","MoKα","","0.0648","0.04","","","0.0805","0.1031","","","","","","1.128","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115155","14.44","0.005","4.852","0.002","27.377","0.011","90","","90","","90","","1918.1","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","fumaric acid bis(leucine methyl ester) amide","(S)-Leucine-N,N'-[(2E)-1,4-dioxo-2-butene-1,4-diyl)bis-dimethyl ester","","- C18 H30 N2 O6 -","- C18 H30 N2 O6 -","- C72 H120 N8 O24 -","4","1","","Paul W. Baures; Alicia M. Beatty; Muthu Dhanasekaran; Brian A. Helfrich; Waleska Pérez-Segarra; John Desper","Solution and Solid-State Models of Peptide CH...O Hydrogen Bonds","Journal of the American Chemical Society","2002","124","","11315","11323","10.1021/ja0257366","","","0.71073","MoKα","","0.1556","0.0687","","","0.1676","0.2035","","","","","","0.977","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115156","12.8215","0.0001","18.7191","0.0001","19.8293","0.0004","90","","90","","90","","4759.17","0.11","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H84 Al4 N2 P2 Ti2 -","- C36 H84 Al4 N2 P2 Ti2 -","- C144 H336 Al16 N8 P8 Ti8 -","4","1","","James E. Kickham; Frédéric Guérin; Douglas W. Stephan","Divergent Pathways of C-H Bond Activation: Reactions of (t-Bu3PN)2TiMe2 with Trimethylaluminum","Journal of the American Chemical Society","2002","124","","11486","11494","10.1021/ja0260972","","","0.71073","MoKα","","0.1055","0.0629","","","0.1458","0.1684","","","","","","0.964","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115157","12.5077","0.0014","16.875","0.002","20.575","0.002","90","","94.063","0.002","90","","4331.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H79 Al3 N2 P2 Ti -","- C33 H79 Al3 N2 P2 Ti -","- C132 H316 Al12 N8 P8 Ti4 -","4","1","","James E. Kickham; Frédéric Guérin; Douglas W. Stephan","Divergent Pathways of C-H Bond Activation: Reactions of (t-Bu3PN)2TiMe2 with Trimethylaluminum","Journal of the American Chemical Society","2002","124","","11486","11494","10.1021/ja0260972","","","0.71073","MoKα","","0.1479","0.0561","","","0.1147","0.1375","","","","","","0.798","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115158","17.736","0.014","9.716","0.005","19.601","0.013","90","","93.014","0.019","90","","3373","4","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H27 Mg N -","- C17 H27 Mg N -","- C136 H216 Mg8 N8 -","8","1","","Aibing Xia; Mary Jane Heeg; Charles H. Winter","Intramolecular and Intermolecular N-H...C5H5-Hydrogen Bonding in Magnesocene Adducts of Alkylamines. Implications for Chemical Vapor Deposition Using Cyclopentadienyl Source Compounds","Journal of the American Chemical Society","2002","124","","11264","11265","10.1021/ja026199s","","","0.71073","MoKα","","0.1864","0.044","","","0.1031","0.1432","","","","","","0.787","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115159","12.019","0.003","11.515","0.003","26.124","0.004","90","","90","","90","","3615.5","1.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-phtaloyl-cis-1-aminocyclohexane-4-carboxylate tert-butyl perester","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C152 H184 N8 O40 -","8","1","","Sabrina Antonello; Marco Crisma; Fernando Formaggio; Alessandro Moretto; Ferdinando Taddei; Claudio Toniolo; Flavio Maran","Insights into the Free-Energy Dependence of Intramolecular Dissociative Electron Transfers","Journal of the American Chemical Society","2002","124","","11503","11513","10.1021/ja0263644","","","1.54178","CuKα","","0.047","0.0429","","","0.1295","0.1329","","","","","","1.109","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115160","14.256","0.003","11.009","0.003","24.814","0.005","90","","106.28","0.04","90","","3738.3","1.7","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(3-fluorophtaloyl)-cis-1-aminocyclohexane-4-carboxylate tert-butyl perester","","- C19 H22 F N O5 -","- C19 H22 F N O5 -","- C152 H176 F8 N8 O40 -","8","2","","Sabrina Antonello; Marco Crisma; Fernando Formaggio; Alessandro Moretto; Ferdinando Taddei; Claudio Toniolo; Flavio Maran","Insights into the Free-Energy Dependence of Intramolecular Dissociative Electron Transfers","Journal of the American Chemical Society","2002","124","","11503","11513","10.1021/ja0263644","","","1.54178","CuKα","","0.0697","0.0649","","","0.1834","0.1877","","","","","","1.037","","","","has coordinates,has disorder","178922","2020-10-21","18:00:00",""
"4115161","13.489","0.002","6.048","0.001","24.052","0.004","90","","102.52","0.08","90","","1915.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(3,6-difluorophtaloyl)-cis-1-aminocyclohexane-4-carboxylate tert-butyl perester","","- C19 H21 F2 N O5 -","- C19 H21 F2 N O5 -","- C76 H84 F8 N4 O20 -","4","1","","Sabrina Antonello; Marco Crisma; Fernando Formaggio; Alessandro Moretto; Ferdinando Taddei; Claudio Toniolo; Flavio Maran","Insights into the Free-Energy Dependence of Intramolecular Dissociative Electron Transfers","Journal of the American Chemical Society","2002","124","","11503","11513","10.1021/ja0263644","","","1.54178","CuKα","","0.0972","0.0775","","","0.2271","0.2435","","","","","","1.031","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115162","11.961","0.003","10.926","0.003","22.229","0.006","90","","102.837","0.007","90","","2832.4","1.3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methyl-2-N,N-bis(t-butyldimethylsilyloxy)amino-3-trimethylsilyloxy-pent-1-ene","","- C21 H49 N O3 Si3 -","- C21 H49 N O3 Si3 -","- C84 H196 N4 O12 Si12 -","4","1","","Alexander A. Tishkov; Alexander D. Dilman; Valery I. Faustov; Arsenij A. Birukov; Konstantin S. Lysenko; Paul A. Belyakov; Sema L. Ioffe; Yury A. Strelenko; Michael Yu. Antipin","Structure and Stereodynamics of N,N-Bis(silyloxy)enamines","Journal of the American Chemical Society","2002","124","","11358","11367","10.1021/ja026548i","","","0.71073","MoKα","","0.0763","0.0528","","","0.1293","0.1457","","","","","","0.984","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115163","12.149","0.004","14.155","0.004","14.586","0.005","90","","100.34","0.03","90","","2467.6","1.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Methyl-2-N,N-bis(t-butyldimethylsilyloxy)amino-3-trimethylsilyloxy-pent-1-ene","","- C20 H36 N2 O4 Si2 -","- C20 H36 N2 O4 Si2 -","- C80 H144 N8 O16 Si8 -","4","1","","Alexander A. Tishkov; Alexander D. Dilman; Valery I. Faustov; Arsenij A. Birukov; Konstantin S. Lysenko; Paul A. Belyakov; Sema L. Ioffe; Yury A. Strelenko; Michael Yu. Antipin","Structure and Stereodynamics of N,N-Bis(silyloxy)enamines","Journal of the American Chemical Society","2002","124","","11358","11367","10.1021/ja026548i","","","0.71073","MoKα","","0.0977","0.0463","","","0.1042","0.1117","","","","","","0.852","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115164","9.234","0.002","9.254","0.002","12.706","0.003","73.199","0.004","76.044","0.005","70.494","0.004","967.1","0.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","b-N,N-(Dimethylamino)-4-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","2","","Alexander A. Tishkov; Alexander D. Dilman; Valery I. Faustov; Arsenij A. Birukov; Konstantin S. Lysenko; Paul A. Belyakov; Sema L. Ioffe; Yury A. Strelenko; Michael Yu. Antipin","Structure and Stereodynamics of N,N-Bis(silyloxy)enamines","Journal of the American Chemical Society","2002","124","","11358","11367","10.1021/ja026548i","","","0.71073","MoKα","","0.085","0.0758","","","0.1885","0.1986","","","","","","1.105","","","","has coordinates,has disorder","178922","2020-10-21","18:00:00",""
"4115165","14.1174","0.0011","14.3252","0.0011","22.3306","0.0018","90","","96.206","0.001","90","","4489.6","0.6","96","2","96","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H51 B Co N P3 -","- C55 H51 B Co N P3 -","- C220 H204 B4 Co4 N4 P12 -","4","1","","David M. Jenkins; Theodore A. Betley; Jonas C. Peters","Oxidative Group Transfer to Co(I) Affords a Terminal Co(III) Imido Complex","Journal of the American Chemical Society","2002","124","","11238","11239","10.1021/ja026852b","","","0.71073","MoKα","","0.0709","0.0415","","","0.0797","0.0844","","","","","","1.67","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115166","13.1284","0.0008","16.5975","0.0011","21.8205","0.0014","90","","97.168","0.001","90","","4717.5","0.5","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H51 B Co N2 P3 -","- C58 H51 B Co N2 P3 -","- C232 H204 B4 Co4 N8 P12 -","4","1","","David M. Jenkins; Theodore A. Betley; Jonas C. Peters","Oxidative Group Transfer to Co(I) Affords a Terminal Co(III) Imido Complex","Journal of the American Chemical Society","2002","124","","11238","11239","10.1021/ja026852b","","","0.71073","MoKα","","0.0826","0.0466","","","0.0693","0.0736","","","","","","1.572","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115167","37.276","0.005","37.276","0.005","12.423","0.002","90","","90","","90","","17262","4","98","2","98","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C53 H47 B Co O2 P3 -","- C53 H47 B Co O2 P3 -","- C848 H752 B16 Co16 O32 P48 -","16","1","","David M. Jenkins; Theodore A. Betley; Jonas C. Peters","Oxidative Group Transfer to Co(I) Affords a Terminal Co(III) Imido Complex","Journal of the American Chemical Society","2002","124","","11238","11239","10.1021/ja026852b","","","0.71073","MoKα","","0.1815","0.0724","","","0.097","0.1072","","","","","","1.348","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4115168","16.472","0.005","18.028","0.005","24.398","0.005","69.036","0.005","76.52","0.005","73.183","0.005","6408","3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Phil Gale","","- C124 H180 Cl8 N16 O8 -","- C124 H180 Cl8 N16 O8 -","- C248 H360 Cl16 N32 O16 -","2","1","","Philip A. Gale; Korakot Navakhun; Salvatore Camiolo; Mark E. Light; Michael B. Hursthouse","Anion-Anion Assembly: A New Class of Anionic Supramolecular Polymer Containing 3,4-Dichloro-2,5-diamido-substituted Pyrrole Anion Dimers","Journal of the American Chemical Society","2002","124","","11228","11229","10.1021/ja027118v","","","0.71069","MoKα","","0.2051","0.1107","","","0.2954","0.3389","","","","","","0.992","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115169","13.3899","0.0003","16.3267","0.0003","28.0813","0.0007","90","","90","","90","","6138.9","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H90 Cl4 N8 O4 -","- C62 H90 Cl4 N8 O4 -","- C248 H360 Cl16 N32 O16 -","4","1","","Philip A. Gale; Korakot Navakhun; Salvatore Camiolo; Mark E. Light; Michael B. Hursthouse","Anion-Anion Assembly: A New Class of Anionic Supramolecular Polymer Containing 3,4-Dichloro-2,5-diamido-substituted Pyrrole Anion Dimers","Journal of the American Chemical Society","2002","124","","11228","11229","10.1021/ja027118v","","","0.71073","MoKα","","0.1866","0.1119","","","0.2814","0.3306","","","","","","1.064","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4115170","30.043","0.003","17.1273","0.0018","35.197","0.004","90","","97.659","0.002","90","","17949","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C146 H206 Cu10 N8 O33 S12 -","- C146 H134 Cu10 N8 O33 S12 -","- C584 H536 Cu40 N32 O132 S48 -","4","0.5","","Takashi Kajiwara; Noriyoshi Kon; Shuichi Yokozawa; Tasuku Ito; Nobuhiko Iki; Sotaro Miyano","Synthesis, Structure, and Ferromagnetic Behavior of Decacopper(II) Cluster Complex Supported by Hexaanionic p-tert-Butylthiacalix[6]arene","Journal of the American Chemical Society","2002","124","","11274","11275","10.1021/ja0273391","","","0.71073","MoKα","","0.0958","0.0573","","","0.1635","0.1803","","","","","","0.934","","","","has coordinates,has disorder","178922","2020-10-21","18:00:00",""
"4115171","28.918","0.007","28.918","0.007","30.428","0.011","90","","90","","90","","25445","13","113","2","113","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C172 H224 Fe4 N48 O80 Pd6 -","- C172 Fe4 N42 O105 Pd6 -","- C688 Fe16 N168 O420 Pd24 -","4","0.5","","Wei-Yin Sun; Takahiro Kusukawa; Makoto Fujita","Electrochemically Driven Clathration/Declathration of Ferrocene and Its Derivatives by a Nanometer-Sized Coordination Cage","Journal of the American Chemical Society","2002","124","","11570","11571","10.1021/ja0206285","","","0.71073","MoKα","","0.1443","0.113","","","0.2739","0.3007","","","","","","2.185","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115172","11.88","0.002","15.941","0.002","12.802","0.001","90","","107.25","0.0009","90","","2315.4","0.5","123.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 Ge Li O Si2 -","- C16 H39 Ge Li O Si2 -","- C64 H156 Ge4 Li4 O4 Si8 -","4","1","","Takeaki Iwamoto; Junichiro Okita; Chizuko Kabuto; Mitsuo Kira","Sila-metalation Route to Hydrido(trialkylsilyl)silyllithiums","Journal of the American Chemical Society","2002","124","","11604","11605","10.1021/ja026705d","","","0.7107","MoKα","","","0.0448","","","","0.1217","","","","","","0.906","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115173","11.8427","0.0004","15.943","0.001","12.77","0.0004","90","","107.467","0.004","90","","2299.91","0.19","150.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H78 Li2 O2 Si6 -","- C32 H78 Li2 O2 Si6 -","- C64 H156 Li4 O4 Si12 -","2","0.5","","Takeaki Iwamoto; Junichiro Okita; Chizuko Kabuto; Mitsuo Kira","Sila-metalation Route to Hydrido(trialkylsilyl)silyllithiums","Journal of the American Chemical Society","2002","124","","11604","11605","10.1021/ja026705d","","","0.71069","MoKα","","0.0743","0.0548","","","0.1456","0.1615","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115174","12.6609","0.0003","31.2622","0.0008","8.5488","0.0002","90","","107.715","0.001","90","","3223.24","0.14","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Ag1.05 Br Li1.95 N4 -","- C30 H50 Ag1.0512 Br Li1.9488 N4 -","- C120 H200 Ag4.2048 Br4 Li7.7952 N16 -","4","1","","Claudia M. P. Kronenburg; Johann T. B. H. Jastrzebski; Jaap Boersma; Martin Lutz; Anthony L. Spek; Gerard van Koten","The First Homologous Series of Self-Assembled Aryl Bromo- and Aryl Cyanocuprates, -Argentates, and -Aurates; MLi~2~XAr~2~ (M = CuI, AgI, AuI; X = Br, C\τbN; Ar = [C~6~H~4~CH~2~N(Et)CH~2~CH~2~NEt~2~]-2)","Journal of the American Chemical Society","2002","124","","11675","11683","10.1021/ja026945t","","","0.71073","MoKα","","0.0734","0.0448","","","0.0938","0.1056","","","","","","1.045","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115175","12.6266","0.0005","31.1512","0.0011","8.6751","0.0004","90","","109.306","0.0007","90","","3220.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Br Cu1.13 Li1.87 N4 -","- C30 H50 Br Cu1.13 Li1.87 N4 -","- C120 H200 Br4 Cu4.52 Li7.48 N16 -","4","1","","Claudia M. P. Kronenburg; Johann T. B. H. Jastrzebski; Jaap Boersma; Martin Lutz; Anthony L. Spek; Gerard van Koten","The First Homologous Series of Self-Assembled Aryl Bromo- and Aryl Cyanocuprates, -Argentates, and -Aurates; MLi~2~XAr~2~ (M = CuI, AgI, AuI; X = Br, C\τbN; Ar = [C~6~H~4~CH~2~N(Et)CH~2~CH~2~NEt~2~]-2)","Journal of the American Chemical Society","2002","124","","11675","11683","10.1021/ja026945t","","","0.71073","MoKα","","0.0594","0.0445","","","0.1127","0.1305","","","","","","1.085","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115176","14.6762","0.0001","17.796","0.0002","28.7932","0.0003","90","","100.36","0.0005","90","","7397.54","0.12","150","1","150","1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C99 H92 O6 -","- C99 H92 O6 -","- C396 H368 O24 -","4","1","","Ken-Tsung Wong; Yuh-Yih Chien; Ruei-Tang Chen; Chung-Feng Wang; Yu-Ting Lin; Huo-Hsien Chiang; Ping-Yuan Hsieh; Chung-Chih Wu; Chung Hsien Chou; Yuhlong Oliver Su; Gene-Hsiang Lee; Shie-Ming Peng","Ter(9,9-diarylfluorene)s: Highly Efficient Blue Emitter with Promising Electrochemical and Thermal Stability","Journal of the American Chemical Society","2002","124","","11576","11577","10.1021/ja0269587","","","0.71073","MoKα","","0.1212","0.0752","","","0.1824","0.2157","","","","","","1.038","","","","has coordinates,has disorder","178922","2020-10-21","18:00:00",""
"4115177","13.7219","0.0011","13.7219","0.0011","7.1949","0.0008","90","","90","","120","","1173.23","0.19","293","2","160","2","","","","","","","synthetic","4","R 3 :H","R 3","146","","","","- C15 H24 Cr N3 -","- C15 H24 Cr N3 -","- C45 H72 Cr3 N9 -","3","0.333333","","Louise A. Berben; Jeffrey R. Long","Synthesis and Alkali Metal Ion-Binding Properties of a Chromium(III) Triacetylide Complex","Journal of the American Chemical Society","2002","124","","11588","11589","10.1021/ja027309y","","","0.71073","MoKα","","0.0247","0.0238","","0.0607","0.0601","","","","1.045","1.046","1.046","","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115178","12.2852","0.0008","20.4722","0.0013","14.9007","0.0009","90","","90.54","","90","","3747.4","0.4","160","2","160","2","","","","","","","synthetic","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 Cr2 F3 K N6 O3 S -","- C31 H48 Cr2 F3 K N6 O3 S -","- C124 H192 Cr8 F12 K4 N24 O12 S4 -","4","1","","Louise A. Berben; Jeffrey R. Long","Synthesis and Alkali Metal Ion-Binding Properties of a Chromium(III) Triacetylide Complex","Journal of the American Chemical Society","2002","124","","11588","11589","10.1021/ja027309y","","","0.71073","MoKα","","0.0815","0.0519","","0.1415","0.1253","","","","1.044","1.109","1.109","","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115179","16.142","0.0009","16.142","0.0009","11.8364","0.0009","90","","90","","120","","2670.9","0.3","120","2","120","2","","","","","","","synthetic","7","P 63/m","-P 6c","176","","","","- C45 H76 Br Cr3 Cs N9 O2 -","- C45 H63 Br Cr3 Cs N9 O2 -","- C90 H126 Br2 Cr6 Cs2 N18 O4 -","2","0.166667","","Louise A. Berben; Jeffrey R. Long","Synthesis and Alkali Metal Ion-Binding Properties of a Chromium(III) Triacetylide Complex","Journal of the American Chemical Society","2002","124","","11588","11589","10.1021/ja027309y","","","0.71073","MoKα","","0.0641","0.0481","","0.1356","0.1238","","","","1.078","1.112","1.112","","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115180","6.7645","0.0002","6.99","0.0002","8.2325","0.0003","74.416","0.002","78.265","0.002","65.748","0.002","339.94","0.02","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C14 H6 Mn2 O6 -","- C14 H6 Mn2 O6 -","- C14 H6 Mn2 O6 -","1","0.5","","Simon C. Jones; Tony Hascall; Stephen Barlow; Dermot O'Hare","Pentalene Complexes of Group 7 Metal Carbonyls: An Organometallic Mixed-Valence System with Very Large Metal-Metal Electronic Coupling","Journal of the American Chemical Society","2002","124","","11610","11611","10.1021/ja027705g","","x-ray","0.71073","MoKα","","0.0218","0.0204","","","0.0503","0.0511","","","","","","1.111","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115181","6.7877","0.0001","9.1754","0.0002","12.5631","0.0003","70.36","","79.29","","71.29","","695.29","0.02","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C14 H6 O6 Re2 -","- C14 H6 O6 Re2 -","- C28 H12 O12 Re4 -","2","1","","Simon C. Jones; Tony Hascall; Stephen Barlow; Dermot O'Hare","Pentalene Complexes of Group 7 Metal Carbonyls: An Organometallic Mixed-Valence System with Very Large Metal-Metal Electronic Coupling","Journal of the American Chemical Society","2002","124","","11610","11611","10.1021/ja027705g","","x-ray","0.71073","MoKα","","0.0242","0.0225","","","0.0522","0.053","","","","","","1.187","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115182","24.6924","0.0019","9.6945","0.0007","20.2514","0.0016","90","","101.676","0.0015","90","","4747.5","0.6","193","2","193","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C28 H22 I O4 P -","- C28 H22 I O4 P -","- C224 H176 I8 O32 P8 -","8","1","","Viktor V. Zhdankin; Olena Maydanovych; Jon Herschbach; Robert McDonald; Rik R. Tykwinski","Preparation, Structure, and Unexpected Chemistry of Phosphoranyl-Derived Benziodoxoles","Journal of the American Chemical Society","2002","124","","11614","11615","10.1021/ja0277780","","","0.71073","MoKα","","0.045","0.0333","","","0.0768","0.0812","","","","","","1.04","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115183","10.2285","0.0009","29.139","0.003","17.8515","0.0017","90","","101.895","0.002","90","","5206.4","0.9","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H48 Cl I2 N O6 P2 -","- C58 H48 Cl I2 N O6 P2 -","- C232 H192 Cl4 I8 N4 O24 P8 -","4","1","","Viktor V. Zhdankin; Olena Maydanovych; Jon Herschbach; Robert McDonald; Rik R. Tykwinski","Preparation, Structure, and Unexpected Chemistry of Phosphoranyl-Derived Benziodoxoles","Journal of the American Chemical Society","2002","124","","11614","11615","10.1021/ja0277780","","","0.71073","MoKα","","0.2138","0.0826","","","0.1314","0.1865","","","","","","0.946","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115184","6.8502","0.0003","12.676","0.004","14.0451","0.0003","90","","90","","90","","1219.6","0.4","273.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Barry M. Trost; Oliver R. Thiel; Hon-Chung Tsui","DYKAT of Baylis-Hillman Adducts: Concise Total Synthesis of Furaquinocin E","Journal of the American Chemical Society","2002","124","","11616","11617","10.1021/ja0277834","","","0.7107","MoKα","","","0.041","","","","0.098","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115185","19.369","0.009","16.082","0.007","17.955","0.008","90","","90","","90","","5593","4","218","2","218","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C33 H34 Cr O3 -","- C33 H34 Cr O3 -","- C264 H272 Cr8 O24 -","8","1","","Reginald H. Mitchell; Zinka Brkic; David J. Berg; Tosha M. Barclay","Effective Aromaticity of Tricarbonylchromiumbenzene, about 25 Enhanced over that of Benzene: Structural Evidence from a Complexed Benzannulene","Journal of the American Chemical Society","2002","124","","11983","11988","10.1021/ja0269542","","","0.71073","MoKα","","0.0986","0.0524","","","0.121","0.1404","","","","","","1.04","","","","has coordinates,has disorder","178922","2020-10-21","18:00:00",""
"4115186","8.573","0.003","8.613","0.003","21.722","0.007","87.52","0.01","92.459","0.009","98.35","0.02","1584.4","0.9","296.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","2","","Yoshiaki Nishibayashi; Masato Yoshikawa; Youichi Inada; Masanobu Hidai; Sakae Uemura","Ruthenium-Catalyzed Propargylation of Aromatic Compounds with Propargylic Alcohols","Journal of the American Chemical Society","2002","124","","11846","11847","10.1021/ja027023t","","","0.7107","MoKα","","","0.108","","","","0.085","","","","","","5.424","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115187","10.3547","0.0015","13.057","0.002","26.794","0.004","90","","90.973","0.003","90","","3622.1","0.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H47 Cl F6 N2 P Rh -","- C35 H47 Cl F6 N2 P Rh -","- C140 H188 Cl4 F24 N8 P4 Rh4 -","4","1","","Emmanuelle Despagnet; Karinne Miqueu; Heinz Gornitzka; Philip W. Dyer; Didier Bourissou; Guy Bertrand","Stable (Aryl)(phosphino)carbenes: New Ligands for Transition Metals","Journal of the American Chemical Society","2002","124","","11834","11835","10.1021/ja027201i","","","0.71073","MoKα","","0.1024","0.0611","","","0.1182","0.1328","","","","","","1.04","","","","has coordinates,has disorder","178922","2020-10-21","18:00:00",""
"4115188","8.984","0.002","15.374","0.003","17.95","0.002","90","","92.62","0.01","90","","2476.7","0.8","286.2","","286.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H24 N2 Si -","- C31 H24 N Si -","- C124 H96 N4 Si4 -","4","2","","Shin Kamijo; Yoshinori Yamamoto","Synthesis of Allyl Cyanamides and N-Cyanoindoles via the Palladium-Catalyzed Three-Component Coupling Reaction","Journal of the American Chemical Society","2002","124","","11940","11945","10.1021/ja0272742","","","0.7107","MoKα","","0.0548","0.0539","","","0.0515","0.0521","","","","","","1.271","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115189","13.6548","0.001","8.8146","0.0007","13.7395","0.0011","90","","99.57","0.001","90","","1630.7","0.2","238","2","238","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N O2 -","- C18 H25 N O2 -","- C72 H100 N4 O8 -","4","1","","Brian D. Dangel; Kamil Godula; So Won Youn; Bengü Sezen; Dalibor Sames","C-C Bond Formation via C-H Bond Activation: Synthesis of the Core of Teleocidin B4","Journal of the American Chemical Society","2002","124","","11856","11857","10.1021/ja027311p","","","0.71073","MoKα","","0.0557","0.0439","","","0.1203","0.1268","","","","","","1.073","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115190","30.635","0.004","7.7786","0.001","30.476","0.004","90","","90","","90","","7262.4","1.6","193","2","193","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3,5-diethynyl-N-(1-oxy-2,2,6,6-tetramethyl-piperidine-4-yl)-benzamide","","- C20 H23 N2 O2 -","- C20 H23 N2 O2 -","- C320 H368 N32 O32 -","16","2","","Kenji Matsuda; Matthew T. Stone; Jeffrey S. Moore","Helical Pitch of m-Phenylene Ethynylene Foldamers by Double Spin Labeling","Journal of the American Chemical Society","2002","124","","11836","11837","10.1021/ja027437m","","","0.71073","MoKα","","0.1559","0.0736","","","0.1632","0.1917","","","","","","0.952","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115191","17.479","0.003","12.0607","0.0019","18.368","0.003","90","","110.8","0.003","90","","3619.8","1","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H106 Mn2 N6 Si2 -","- C74 H106 Mn2 N6 Si2 -","- C148 H212 Mn4 N12 Si4 -","2","0.5","","Hiroyasu Sugiyama; Ghazar Aharonian; Sandro Gambarotta; Glenn P. A. Yap; Peter H. M. Budzelaar","Participation of the α,α'-Diiminopyridine Ligand System in Reduction of the Metal Center during Alkylation","Journal of the American Chemical Society","2002","124","","12268","12274","10.1021/ja020485m","","","0.71073","MoKα","","0.1481","0.0818","","","0.1541","0.1849","","","","","","1.088","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115192","23.5634","0.001","18.8452","0.0007","21.9494","0.0008","90","","111.424","0.001","90","","9073.3","0.6","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C101 H122 Cr2 N6 -","- C101 H122 Cr2 N6 -","- C404 H488 Cr8 N24 -","4","0.5","","Hiroyasu Sugiyama; Ghazar Aharonian; Sandro Gambarotta; Glenn P. A. Yap; Peter H. M. Budzelaar","Participation of the α,α'-Diiminopyridine Ligand System in Reduction of the Metal Center during Alkylation","Journal of the American Chemical Society","2002","124","","12268","12274","10.1021/ja020485m","","","0.71073","MoKα","","0.0809","0.0677","","","0.1765","0.1909","","","","","","1.044","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115193","17.9682","0.0016","14.7152","0.0013","19.7117","0.0018","90","","90","","90","","5211.9","0.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C46 H69 Al2 Cl2 Cr N3 -","- C46 H69 Al2 Cl2 Cr N3 -","- C184 H276 Al8 Cl8 Cr4 N12 -","4","0.5","","Hiroyasu Sugiyama; Ghazar Aharonian; Sandro Gambarotta; Glenn P. A. Yap; Peter H. M. Budzelaar","Participation of the α,α'-Diiminopyridine Ligand System in Reduction of the Metal Center during Alkylation","Journal of the American Chemical Society","2002","124","","12268","12274","10.1021/ja020485m","","","0.71073","MoKα","","0.1153","0.0868","","","0.2663","0.3065","","","","","","1.049","","","","has coordinates,has disorder","178922","2020-10-21","18:00:00",""
"4115194","18.124","0.002","16.44","0.001","37.861","0.003","90","","95.932","0.002","90","","11220.6","1.7","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34.33 H45.67 Cl5.67 Cr N3 -","- C34.3333 H45.6667 Cl5.66667 Cr N3 -","- C412 H548 Cl68 Cr12 N36 -","12","3","","Hiroyasu Sugiyama; Ghazar Aharonian; Sandro Gambarotta; Glenn P. A. Yap; Peter H. M. Budzelaar","Participation of the α,α'-Diiminopyridine Ligand System in Reduction of the Metal Center during Alkylation","Journal of the American Chemical Society","2002","124","","12268","12274","10.1021/ja020485m","","","0.71073","MoKα","","0.1164","0.0702","","","0.2064","0.2434","","","","","","1.022","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115195","12.9031","0.0006","13.3823","0.0007","13.8935","0.0007","117.851","0.001","117.374","0.001","91.063","0.001","1798.51","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H84 Al2 Cl14 N4 Pd2 -","- C58 H84 Al2 Cl14 N4 Pd2 -","- C58 H84 Al2 Cl14 N4 Pd2 -","1","0.5","","Myeongsoon Kang; Ayusman Sen; Lev Zakharov; Arnold L. Rheingold","Diametrically Opposite Trends in Alkene Insertion in Late and Early Transition Metal Compounds: Relevance to Transition-Metal-Catalyzed Polymerization of Polar Vinyl Monomers","Journal of the American Chemical Society","2002","124","","12080","12081","10.1021/ja026550+","","","0.71073","MoKα","","0.0447","0.0338","","","0.0724","0.0763","","","","","","1.034","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115196","13.6284","0.0008","13.8525","0.0008","22.8234","0.0013","89.906","0.001","78.302","0.001","61.571","0.001","3687.9","0.4","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- Co4 H128 Na16 O174 P4 W30 -","- Co4 Na16 O174 P4 W30 -","- Co4 Na16 O174 P4 W30 -","1","0.5","","Shaoqin Liu; Dirk G. Kurth; Bjoern Bredenkötter; Dirk Volkmer","The Structure of Self-Assembled Multilayers with Polyoxometalate Nanoclusters","Journal of the American Chemical Society","2002","124","","12279","12287","10.1021/ja026946l","","","0.71073","MoKα","","0.0478","0.0355","","","0.0896","0.0945","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115197","13.986","0.001","11.69","0.001","19.815","0.002","90","","97.94","0.01","90","","3208.6","0.5","173","1","173","1","","","","","","","Synthesized in the laboratory of F. Ladipo","5","P 1 n 1","P -2yac","7","","","","- C72 H94 O5 Si Ti -","- C72 H94 O5 Si Ti -","- C144 H188 O10 Si2 Ti2 -","2","1","","Jesudoss V. Kingston; Oleg V. Ozerov; Sean Parkin; Carolyn P. Brock; Folami T. Ladipo","Mechanistic Insight into Fragmentation Reactions of Titanapinacolate Complexes","Journal of the American Chemical Society","2002","124","","12217","12224","10.1021/ja0271577","","","0.71073","MoKα","","0.053","0.047","","","0.109","0.113","","","","","","1.08","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115198","11.242","0.002","13.483","0.003","25.368","0.005","79.35","0.01","84.9","0.01","76.4","0.01","3668.8","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H100 O5 Si3 Ti -","- C81 H100 O5 Si3 Ti -","- C162 H200 O10 Si6 Ti2 -","2","1","","Jesudoss V. Kingston; Oleg V. Ozerov; Sean Parkin; Carolyn P. Brock; Folami T. Ladipo","Mechanistic Insight into Fragmentation Reactions of Titanapinacolate Complexes","Journal of the American Chemical Society","2002","124","","12217","12224","10.1021/ja0271577","","","0.7107","MoKα","","0.1071","0.097","","","0.2522","0.2558","","","","","","1.195","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115199","9.893","0.0013","33.172","0.004","11.4474","0.0015","90","","102.41","0.002","90","","3668.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H21.5 N6.39 O12.92 Pt2 -","- C4 H18 N6.39 O12.921 Pt2 -","- C32 H144 N51.12 O103.368 Pt16 -","8","2","","Ken Sakai; Eri Ishigami; Yosuke Konno; Takashi Kajiwara; Tasuku Ito","New Partially Oxidized 1-D Platinum Chain Complexes Consisting of Carboxylate-Bridged cis-Diammineplatinum Dimer Cations","Journal of the American Chemical Society","2002","124","","12088","12089","10.1021/ja0275461","","","0.71073","MoKα","","0.0894","0.047","","","0.0963","0.1086","","","","","","1.023","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115200","9.4102","0.0008","10.0776","0.0008","11.4257","0.0009","101.489","0.002","103.882","0.002","99.534","0.002","1004.53","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H25.68 Cl0.35 N5.81 O12.67 Pt2 -","- C6 Cl0.347 N5.812 O12.664 Pt2 -","- C12 Cl0.694 N11.624 O25.328 Pt4 -","2","1","","Ken Sakai; Eri Ishigami; Yosuke Konno; Takashi Kajiwara; Tasuku Ito","New Partially Oxidized 1-D Platinum Chain Complexes Consisting of Carboxylate-Bridged cis-Diammineplatinum Dimer Cations","Journal of the American Chemical Society","2002","124","","12088","12089","10.1021/ja0275461","","","0.71073","MoKα","","0.061","0.0519","","","0.139","0.1455","","","","","","1.049","","","","has coordinates,has disorder","178923","2020-10-21","18:00:00",""
"4115201","11.404","0.003","7.941","0.002","12.843","0.003","90","","105.643","0.005","90","","1120","0.5","293","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C48 H54 N2 O8 -","2","1","","Yujiro Hayashi; Mitsuru Shoji; Junichiro Yamaguchi; Kenji Sato; Shinpei Yamaguchi; Takasuke Mukaiyama; Ken Sakai; Yukihiro Asami; Hideaki Kakeya; Hiroyuki Osada","Asymmetric Total Synthesis of (-)-Azaspirene, a Novel Angiogenesis Inhibitor","Journal of the American Chemical Society","2002","124","","12078","12079","10.1021/ja0276826","","","0.71073","MoKα","","0.0961","0.0698","","","0.1566","0.1713","","","","","","1.072","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115202","10.746","0.002","13.136","0.002","17.475","0.003","73.88","0.02","79.511","0.014","78.031","0.01","2297.8","0.7","261","2","261","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H41 F6 N2 O3.5 P3 Re -","- C47 H36 F6 N2 O3.5 P3 Re -","- C94 H72 F12 N4 O7 P6 Re2 -","2","1","","Rory Melenkivitz; Joel S. Southern; Gregory L. Hillhouse; Thomas E. Concolino; Louise M. Liable-Sands; Arnold L. Rheingold","A New Route to Coordination Complexes of Nitroxyl (HNO) via Insertion Reactions of Nitrosonium Triflate with Transition-Metal Hydrides","Journal of the American Chemical Society","2002","124","","12068","12069","10.1021/ja0277475","","","0.71073","MoKα","","0.0589","0.0423","","","0.1004","0.1091","","","","","","0.986","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115203","14.1156","0.0008","15.2352","0.0009","19.1117","0.001","74.306","0.001","70.329","0.001","82.55","0.001","3722.5","0.4","203","2","203","2","","","","","","","","8","P -1","-P 1","2","","","","- C136 H120 B2 F68 N4 O2 P4 Pt2 -","- C140 H98 B2 F67.92 O2 P4 Pt2 -","- C140 H98 B2 F67.92 O2 P4 Pt2 -","1","0.5","","Wayde V. Konze; Brian L. Scott; Gregory J. Kubas","C-H Activation and C-C Coupling of Arenes by Cationic Pt(II) Complexes","Journal of the American Chemical Society","2002","124","","12550","12556","10.1021/ja020798h","","","0.71073","MoKα","","0.0709","0.0603","","","0.1687","0.1792","","","","","","1.178","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115204","13.0443","0.0006","18.1546","0.0009","24.8574","0.0011","110.108","0.001","98.902","0.001","98.738","0.001","5326","0.4","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H82 B2 F48 P4 Pt2 -","- C96 H77 B2 F48 P4 Pt2 -","- C192 H154 B4 F96 P8 Pt4 -","2","1","","Wayde V. Konze; Brian L. Scott; Gregory J. Kubas","C-H Activation and C-C Coupling of Arenes by Cationic Pt(II) Complexes","Journal of the American Chemical Society","2002","124","","12550","12556","10.1021/ja020798h","","","0.71073","MoKα","","0.0876","0.0657","","","0.1714","0.1856","","","","","","1.277","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115205","8.866","0.002","14.024","0.002","15.393","0.001","90","","99.34","0.01","90","","1888.5","0.5","295.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C100 H76 N4 O8 -","4","1","","Toshihiro Tanaka; Takashi Tasaki; Yasuhiro Aoyama","Acridinylresorcinol as a Self-Complementary Building Block of Robust Hydrogen-Bonded 2D Nets with Coordinative Saturation. Preservation of Crystal Structures upon Guest Alteration, Guest Removal, and Host Modification","Journal of the American Chemical Society","2002","124","","12453","12462","10.1021/ja026704l","","","0.7107","MoKα","","","0.046","","","","0.08","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115206","8.913","0.002","13.957","0.002","15.099","0.003","90","","100.47","0.01","90","","1847","0.6","295.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Cl3 N O2 -","- C20 H14 Cl2.99 N O2 -","- C80 H56 Cl11.96 N4 O8 -","4","1","","Toshihiro Tanaka; Takashi Tasaki; Yasuhiro Aoyama","Acridinylresorcinol as a Self-Complementary Building Block of Robust Hydrogen-Bonded 2D Nets with Coordinative Saturation. Preservation of Crystal Structures upon Guest Alteration, Guest Removal, and Host Modification","Journal of the American Chemical Society","2002","124","","12453","12462","10.1021/ja026704l","","","0.7107","MoKα","","","0.056","","","","0.1","","","","","","1.268","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115207","8.874","0.002","13.998","0.002","15.604","0.001","90","","97.48","0.009","90","","1921.8","0.5","295.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H20 N O3 -","- C25.5 H13 N O2 -","- C102 H52 N4 O8 -","4","1","","Toshihiro Tanaka; Takashi Tasaki; Yasuhiro Aoyama","Acridinylresorcinol as a Self-Complementary Building Block of Robust Hydrogen-Bonded 2D Nets with Coordinative Saturation. Preservation of Crystal Structures upon Guest Alteration, Guest Removal, and Host Modification","Journal of the American Chemical Society","2002","124","","12453","12462","10.1021/ja026704l","","","0.7107","MoKα","","","0.081","","","","0.138","","","","","","1.704","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115208","8.986","0.004","14.01","0.003","15.591","0.003","90","","99.6","0.03","90","","1935.3","1","295.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 N O3 -","- C25 H18 N O3 -","- C100 H72 N4 O12 -","4","1","","Toshihiro Tanaka; Takashi Tasaki; Yasuhiro Aoyama","Acridinylresorcinol as a Self-Complementary Building Block of Robust Hydrogen-Bonded 2D Nets with Coordinative Saturation. Preservation of Crystal Structures upon Guest Alteration, Guest Removal, and Host Modification","Journal of the American Chemical Society","2002","124","","12453","12462","10.1021/ja026704l","","","0.7107","MoKα","","","0.054","","","","0.094","","","","","","1.187","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115209","9.127","0.002","13.96","0.001","15.169","0.002","90","","101.02","0.01","90","","1897.1","0.5","295.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Cl3 N O3 -","- C20 H13 Cl3 N O3 -","- C80 H52 Cl12 N4 O12 -","4","1","","Toshihiro Tanaka; Takashi Tasaki; Yasuhiro Aoyama","Acridinylresorcinol as a Self-Complementary Building Block of Robust Hydrogen-Bonded 2D Nets with Coordinative Saturation. Preservation of Crystal Structures upon Guest Alteration, Guest Removal, and Host Modification","Journal of the American Chemical Society","2002","124","","12453","12462","10.1021/ja026704l","","","0.7107","MoKα","","","0.057","","","","0.096","","","","","","1.2","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115210","9.004","0.002","14.001","0.002","15.273","0.002","90","","100.16","0.02","90","","1895.2","0.6","295.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H18 N O3.5 -","- C22.5 H12 N O3.5 -","- C90 H48 N4 O14 -","4","1","","Toshihiro Tanaka; Takashi Tasaki; Yasuhiro Aoyama","Acridinylresorcinol as a Self-Complementary Building Block of Robust Hydrogen-Bonded 2D Nets with Coordinative Saturation. Preservation of Crystal Structures upon Guest Alteration, Guest Removal, and Host Modification","Journal of the American Chemical Society","2002","124","","12453","12462","10.1021/ja026704l","","","0.7107","MoKα","","","0.072","","","","0.115","","","","","","1.457","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115211","8.923","0.005","13.966","0.003","15.197","0.004","90","","100.84","0.03","90","","1860","1.2","295.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N O5 -","- C20 H12 N O5 -","- C80 H48 N4 O20 -","4","1","","Toshihiro Tanaka; Takashi Tasaki; Yasuhiro Aoyama","Acridinylresorcinol as a Self-Complementary Building Block of Robust Hydrogen-Bonded 2D Nets with Coordinative Saturation. Preservation of Crystal Structures upon Guest Alteration, Guest Removal, and Host Modification","Journal of the American Chemical Society","2002","124","","12453","12462","10.1021/ja026704l","","","0.7107","MoKα","","","0.075","","","","0.126","","","","","","1.578","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115212","9.315","0.005","14.04","0.004","14.713","0.003","90","","101.91","0.02","90","","1882.8","1.2","295.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N O5 -","- C25 H12 N O3 -","- C100 H48 N4 O12 -","4","1","","Toshihiro Tanaka; Takashi Tasaki; Yasuhiro Aoyama","Acridinylresorcinol as a Self-Complementary Building Block of Robust Hydrogen-Bonded 2D Nets with Coordinative Saturation. Preservation of Crystal Structures upon Guest Alteration, Guest Removal, and Host Modification","Journal of the American Chemical Society","2002","124","","12453","12462","10.1021/ja026704l","","","0.7107","MoKα","","","0.082","","","","0.13","","","","","","1.617","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115213","7.431","0.004","9.034","0.007","21.104","0.004","90","","92.42","0.03","90","","1415.5","1.4","295.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N O3 -","- C19 H13 N O3 -","- C76 H52 N4 O12 -","4","1","","Toshihiro Tanaka; Takashi Tasaki; Yasuhiro Aoyama","Acridinylresorcinol as a Self-Complementary Building Block of Robust Hydrogen-Bonded 2D Nets with Coordinative Saturation. Preservation of Crystal Structures upon Guest Alteration, Guest Removal, and Host Modification","Journal of the American Chemical Society","2002","124","","12453","12462","10.1021/ja026704l","","","0.7107","MoKα","","","0.074","","","","0.109","","","","","","1.36","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115214","7.7075","0.0003","7.7075","0.0003","44.782","0.001","90","","90","","120","","2303.89","0.14","103.2","","","","","","","","","","","4","P 32","P 32","145","","","","- C15 H19 N O7 -","- C15 H19 N O7 -","- C90 H114 N6 O42 -","6","2","","Kentaro Tanaka; Atsushi Tengeiji; Tatsuhisa Kato; Namiki Toyama; Motoo Shiro; Mitsuhiko Shionoya","Efficient Incorporation of a Copper Hydroxypyridone Base Pair in DNA","Journal of the American Chemical Society","2002","124","","12494","12498","10.1021/ja027175o","","","0.7107","MoKα","","","0.0386","","","","0.0947","","","","","","1.157","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115215","11.56","0.002","12.839","0.003","13.468","0.004","64.55","0.02","71.1","0.02","75.691","0.018","1693.9","0.8","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Bis(bis(triphenylphosphiniminium))hexaazidosilicate","Bis(bis(P,P,P-triphenylphosphinimidato-κN)phosphor(1+)) hexaazidosilicate(2-)","","- C72 H60 N20 P4 Si -","- C72 H60 N20 P4 Si -","- C72 H60 N20 P4 Si -","1","0.5","","Alexander C. Filippou; Peter Portius; Gregor Schnakenburg","The Hexaazidosilicate(IV) Ion: Synthesis, Properties, and Molecular Structure","Journal of the American Chemical Society","2002","124","","12396","12397","10.1021/ja0273187","","","0.71073","MoKα","","0.0419","0.033","","","0.0814","0.0887","","","","","","1.044","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115216","10.3605","0.0009","19.9645","0.0017","35.428","0.003","90","","92.76","0.002","90","","7319.5","1.1","290","2","290","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis-ethylene-dithiotetrathiafulvalene pyridine gallium salt","bis-ethylene-dithiotetrathiafulvalene pyridine gallium salt","","- C51 H40 Ga N O13 S32 -","- C51.04 H40.04 Ga N0.96 O13 S32 -","- C204.16 H160.16 Ga4 N3.84 O52 S128 -","4","0.5","","Hiroki Akutsu; Akane Akutsu-Sato; Scott S. Turner; Delphine Le Pevelen; Peter Day; Vladimir Laukhin; Anne-Katrin Klehe; John Singleton; Derek A. Tocher; Michael R. Probert; Judith A. K. Howard","Effect of Included Guest Molecules on the Normal State Conductivity and Superconductivity of β''-(ET)4[(H3O)Ga(C2O4)3].G (G = Pyridine, Nitrobenzene)","Journal of the American Chemical Society","2002","124","","12430","12431","10.1021/ja0273849","","","0.71073","MoKα","","0.1184","0.0498","","","0.1185","0.1358","","","","","","0.84","","","","has coordinates,has disorder","178923","2020-10-21","18:00:00",""
"4115217","10.2588","0.0001","19.7015","0.0001","34.9512","0.0003","90","","93.3665","0.0004","90","","7051.93","0.1","120","","120","","","","","","","","","5","C 1 2 1","C 2y","5","","bis-ethylene-dithiotetrathiafulvalene pyridine gallium salt","","- C52 H24 Ga O13 S32 -","- C52 H24 Ga O13 S32 -","- C208 H96 Ga4 O52 S128 -","4","1","","Hiroki Akutsu; Akane Akutsu-Sato; Scott S. Turner; Delphine Le Pevelen; Peter Day; Vladimir Laukhin; Anne-Katrin Klehe; John Singleton; Derek A. Tocher; Michael R. Probert; Judith A. K. Howard","Effect of Included Guest Molecules on the Normal State Conductivity and Superconductivity of β''-(ET)4[(H3O)Ga(C2O4)3].G (G = Pyridine, Nitrobenzene)","Journal of the American Chemical Society","2002","124","","12430","12431","10.1021/ja0273849","","","0.71073","MoKα","","","0.055","","","","0.0506","","","","","","1.1752","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115218","10.3547","0.0004","20.1508","0.0007","35.5424","0.0012","90","","92.571","0.001","90","","7408.7","0.5","290","2","290","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis-ethylene-dithiotetrathiafulvalene nitrobenzene gallium salt","bis-ethylene-dithiotetrathiafulvalene nitrobenzene gallium salt","","- C52 H40 Ga N O15 S32 -","- C52 H40 Ga N O15 S32 -","- C208 H160 Ga4 N4 O60 S128 -","4","0.5","","Hiroki Akutsu; Akane Akutsu-Sato; Scott S. Turner; Delphine Le Pevelen; Peter Day; Vladimir Laukhin; Anne-Katrin Klehe; John Singleton; Derek A. Tocher; Michael R. Probert; Judith A. K. Howard","Effect of Included Guest Molecules on the Normal State Conductivity and Superconductivity of β''-(ET)4[(H3O)Ga(C2O4)3].G (G = Pyridine, Nitrobenzene)","Journal of the American Chemical Society","2002","124","","12430","12431","10.1021/ja0273849","","","0.71073","MoKα","","0.1488","0.0636","","","0.1319","0.1637","","","","","","0.966","","","","has coordinates,has disorder","178923","2020-10-21","18:00:00",""
"4115219","10.2782","0.0003","19.8733","0.0006","35.0431","0.0011","90","","93.423","0.001","90","","7145.2","0.4","100","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis-ethylene-dithiotetrathiafulvalene nitrobenz gallium salt","bis-ethylene-dithiotetrathiafulvalene nitrobenz gallium salt","","- C52 H40 Ga N O15 S32 -","- C52 H40 Ga N O15 S32 -","- C208 H160 Ga4 N4 O60 S128 -","4","0.5","","Hiroki Akutsu; Akane Akutsu-Sato; Scott S. Turner; Delphine Le Pevelen; Peter Day; Vladimir Laukhin; Anne-Katrin Klehe; John Singleton; Derek A. Tocher; Michael R. Probert; Judith A. K. Howard","Effect of Included Guest Molecules on the Normal State Conductivity and Superconductivity of β''-(ET)4[(H3O)Ga(C2O4)3].G (G = Pyridine, Nitrobenzene)","Journal of the American Chemical Society","2002","124","","12430","12431","10.1021/ja0273849","","","0.71073","MoKα","","0.0839","0.0414","","","0.0811","0.0924","","","","","","0.901","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115220","31.929","0.001","17.606","0.0005","13.816","0.0003","90","","111.289","0.001","90","","7236.6","0.3","158.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 Cl2 Cu2 N4 O8 S2 -","- C32 H38 Cl2 Cu2 N4 O8 S2 -","- C256 H304 Cl16 Cu16 N32 O64 S16 -","8","1","","Yoshiki Ueno; Yoshimitsu Tachi; Shinobu Itoh","Interconversion between Bis(μ-thiolato)dicopper(II) and Disulfide-Bridged Dicopper(I) Complexes Mediated by Chloride Ion","Journal of the American Chemical Society","2002","124","","12428","12429","10.1021/ja027397m","","","0.7107","MoKα","","","0.059","","","","0.088","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115221","16.009","0.001","11.4204","0.0005","22.914","0.002","90","","111.72","0.002","90","","3891.9","0.5","296.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H50 Cl2 Cu2 N4 O2 S2 -","- C38 H50 Cl2 Cu2 N4 O2 S2 -","- C152 H200 Cl8 Cu8 N16 O8 S8 -","4","0.5","","Yoshiki Ueno; Yoshimitsu Tachi; Shinobu Itoh","Interconversion between Bis(μ-thiolato)dicopper(II) and Disulfide-Bridged Dicopper(I) Complexes Mediated by Chloride Ion","Journal of the American Chemical Society","2002","124","","12428","12429","10.1021/ja027397m","","","0.7107","MoKα","","","0.027","","","","0.041","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115222","12.166","0.0003","12.6181","0.0003","12.7139","0.0001","60.945","0.005","64.953","0.001","67.459","0.002","1506.24","0.08","153.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H38 Cl3 Cu3 N4 S2 -","- C24 H38 Cl3 Cu3 N4 S2 -","- C48 H76 Cl6 Cu6 N8 S4 -","2","1","","Yoshiki Ueno; Yoshimitsu Tachi; Shinobu Itoh","Interconversion between Bis(μ-thiolato)dicopper(II) and Disulfide-Bridged Dicopper(I) Complexes Mediated by Chloride Ion","Journal of the American Chemical Society","2002","124","","12428","12429","10.1021/ja027397m","","","0.7107","MoKα","","","0.035","","","","0.06","","","","","","0.988","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115223","14.73","0.02","18.51","0.02","21.25","0.03","100.249","0.01","106.678","0.01","101.871","0.01","5255","12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C111 H131.5 Cl N5 O13.5 -","- C111 H130 Cl N5 O13.5 -","- C222 H260 Cl2 N10 O27 -","2","1","","James A. Wisner; Paul D. Beer; Michael G. B. Drew; Mark R. Sambrook","Anion-Templated Rotaxane Formation","Journal of the American Chemical Society","2002","124","","12469","12476","10.1021/ja027519a","","","0.71073","MoKα","","0.3247","0.1133","","","0.2856","0.344","","","","","","0.882","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115224","14.771","0.003","5.0353","0.0008","26.11","0.004","90","","98.8","0.005","90","","1919.1","0.6","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H23 Br N O4 -","- C19 H19 Br N O4 -","- C76 H76 Br4 N4 O16 -","4","1","","Douglass F. Taber; Timothy D. Neubert; Arnold L. Rheingold","Synthesis of (-)-Morphine","Journal of the American Chemical Society","2002","124","","12416","12417","10.1021/ja027882h","","","0.71073","MoKα","","0.0716","0.0553","","","0.1298","0.1357","","","","","","0.949","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115225","11.201","0.001","19.401","0.002","40.438","0.006","90","","90","","90","","8787.6","1.8","253.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C76 H130 N12 O19 S -","- C76 H130 N12 O19 S -","- C304 H520 N48 O76 S4 -","4","1","","Keiichi Yamada; Masafumi Unno; Kyoko Kobayashi; Hiroyuki Oku; Hatsuo Yamamura; Shuki Araki; Hideyuki Matsumoto; Ryoichi Katakai; Masao Kawai","Stereochemistry of Protected Ornithine Side Chains of Gramicidin S Derivatives: X-ray Crystal Structure of the Bis-Boc-tetra-N-methyl Derivative of Gramicidin S","Journal of the American Chemical Society","2002","124","","12684","12688","10.1021/ja020307t","","","0.7092","MoKα","","","0.0877","","","","0.244","","","","","","1.464","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115226","21.14","0.003","15.975","0.001","18.6212","0.0004","90","","98.0586","0.0004","90","","6226.5","1","293.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H64 Cl2 Mn2 N10 Ni O14 -","- C62 H62 Cl2 Mn2 N10 Ni O14 -","- C248 H248 Cl8 Mn8 N40 Ni4 O56 -","4","0.5","","Rodolphe Clérac; Hitoshi Miyasaka; Masahiro Yamashita; Claude Coulon","Evidence for Single-Chain Magnet Behavior in a MnIII-NiII Chain Designed with High Spin Magnetic Units: A Route to High Temperature Metastable Magnets","Journal of the American Chemical Society","2002","124","","12837","12844","10.1021/ja0203115","","","0.7107","MoKα","","","0.0573","","","","0.157","","","","","","1.734","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115227","11.4255","0.0017","19.727","0.003","11.9028","0.0018","90","","93.776","0.004","90","","2677","0.7","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H80 Eu N7 O21 -","- C44 H80 Eu N7 O21 -","- C88 H160 Eu2 N14 O42 -","2","1","","Rachel S. Dickins; Silvio Aime; Andrei S. Batsanov; Andrew Beeby; Mauro Botta; James I. Bruce; Judith A. K. Howard; Christine S. Love; David Parker; Robert D. Peacock; Horst Puschmann","Structural, Luminescence, and NMR Studies of the Reversible Binding of Acetate, Lactate, Citrate, and Selected Amino Acids to Chiral Diaqua Ytterbium, Gadolinium, and Europium Complexes","Journal of the American Chemical Society","2002","124","","12697","12705","10.1021/ja020836x","","","0.71073","MoKα","","0.0374","0.0304","","","0.0675","0.0705","","","","","","1.018","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115228","12.277","0.004","16.04","0.004","13.227","0.004","90","","102.2","0.02","90","","2545.9","1.3","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C42 H62 F6 N7 O14 S2 Yb -","- C42 H62 F6 N7 O14 S2 Yb -","- C84 H124 F12 N14 O28 S4 Yb2 -","2","1","","Rachel S. Dickins; Silvio Aime; Andrei S. Batsanov; Andrew Beeby; Mauro Botta; James I. Bruce; Judith A. K. Howard; Christine S. Love; David Parker; Robert D. Peacock; Horst Puschmann","Structural, Luminescence, and NMR Studies of the Reversible Binding of Acetate, Lactate, Citrate, and Selected Amino Acids to Chiral Diaqua Ytterbium, Gadolinium, and Europium Complexes","Journal of the American Chemical Society","2002","124","","12697","12705","10.1021/ja020836x","","","0.71073","MoKα","","0.0248","0.0234","","","0.0566","0.0574","","","","","","1.075","","","","has coordinates,has disorder","178923","2020-10-21","18:00:00",""
"4115229","11.392","0.002","11.591","0.002","12.421","0.002","64.3","0.01","78.19","0.01","63.07","0.01","1317.6","0.4","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C43 H65 F6 N8 O14 S2 Yb -","- C43 H65 F6 N8 O14 S2 Yb -","- C43 H65 F6 N8 O14 S2 Yb -","1","1","","Rachel S. Dickins; Silvio Aime; Andrei S. Batsanov; Andrew Beeby; Mauro Botta; James I. Bruce; Judith A. K. Howard; Christine S. Love; David Parker; Robert D. Peacock; Horst Puschmann","Structural, Luminescence, and NMR Studies of the Reversible Binding of Acetate, Lactate, Citrate, and Selected Amino Acids to Chiral Diaqua Ytterbium, Gadolinium, and Europium Complexes","Journal of the American Chemical Society","2002","124","","12697","12705","10.1021/ja020836x","","","0.71073","MoKα","","0.0225","0.0225","","","0.0497","0.0497","","","","","","1.015","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115230","11.288","0.002","11.981","0.002","12.454","0.002","64.7","0.01","76.53","0.01","62.42","0.01","1348.4","0.4","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C44 H66 F6 N8 O15 S2 Yb -","- C44 H66 F6 N8 O15 S2 Yb -","- C44 H66 F6 N8 O15 S2 Yb -","1","1","","Rachel S. Dickins; Silvio Aime; Andrei S. Batsanov; Andrew Beeby; Mauro Botta; James I. Bruce; Judith A. K. Howard; Christine S. Love; David Parker; Robert D. Peacock; Horst Puschmann","Structural, Luminescence, and NMR Studies of the Reversible Binding of Acetate, Lactate, Citrate, and Selected Amino Acids to Chiral Diaqua Ytterbium, Gadolinium, and Europium Complexes","Journal of the American Chemical Society","2002","124","","12697","12705","10.1021/ja020836x","","","0.71073","MoKα","","0.0253","0.0253","","","0.0634","0.0634","","","","","","1.022","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115231","27.615","0.009","27.648","0.009","28.548","0.009","90","","112.761","0.006","90","","20099","11","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","UCR-16","","","- C84.5 H182 Cu5 In30 N13 S54 -","- C2 Cu5.26 In29.74 S54 -","- C8 Cu21.04 In118.96 S216 -","4","0.5","","Xianhui Bu; Nanfeng Zheng; Yuqi Li; Pingyun Feng","Pushing Up the Size Limit of Chalcogenide Supertetrahedral Clusters: Two- and Three-Dimensional Photoluminescent Open Frameworks from (Cu5In30S54)13- Clusters","Journal of the American Chemical Society","2002","124","","12646","12647","10.1021/ja021009z","","","0.71073","MoKα","","0.2302","0.0944","","","0.2944","0.3506","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115232","43.266","0.006","43.467","0.006","53.721","0.007","90","","90","","90","","101030","2","223","2","223","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","UCR-17","","","- C84.5 H182 Cu5 In30 N13 S54 -","- Cu4.74 In30.22 S54 -","- Cu75.84 In483.52 S864 -","16","0.5","","Xianhui Bu; Nanfeng Zheng; Yuqi Li; Pingyun Feng","Pushing Up the Size Limit of Chalcogenide Supertetrahedral Clusters: Two- and Three-Dimensional Photoluminescent Open Frameworks from (Cu5In30S54)13- Clusters","Journal of the American Chemical Society","2002","124","","12646","12647","10.1021/ja021009z","","","0.71073","MoKα","","0.1539","0.0735","","","0.2776","0.3123","","","","","","1.577","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115233","10.4824","0.0009","25.322","0.002","13.754","0.0012","90","","104.515","0.002","90","","3534.3","0.5","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H45 Mo N3 O6 -","- C34 H37 Mo N3 O5 -","- C136 H148 Mo4 N12 O20 -","4","2","","Shane W. Krska; David L. Hughes; Robert A. Reamer; David J. Mathre; Yongkui Sun; Barry M. Trost","The Unusual Role of CO Transfer in Molybdenum-Catalyzed Asymmetric Alkylations","Journal of the American Chemical Society","2002","124","","12656","12657","10.1021/ja028035h","","","0.71073","MoKα","","0.0627","0.0547","","","0.1525","0.1555","","","","","","1.05","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115234","10.1293","0.0006","10.428","0.001","13.195","0.001","90","","90","","90","","1393.77","0.19","299","","299","","","","","","","","local laboratory","4","P 21 21 21","P 2ac 2ab","19","","α-1-ammmonium-2(3-indolyl)-cyclohexanecarboxylate monohydrate","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","","Bo Liu; Reema K. Thalji; Paul D. Adams; Frank R. Fronczek; Mark L. McLaughlin; Mary D. Barkley","Fluorescence ofcis-1-Amino-2-(3-indolyl)cyclohexane-1-carboxylic Acid: A Single Tryptophan χ1Rotamer Model","Journal of the American Chemical Society","2002","124","","13329","13338","10.1021/ja016542d","","","1.54184","Cu-Kα","","0.032","0.03","","0.038","0.038","","","","1.639","1.636","1.636","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4115235","9.852","0.002","15.148","0.004","9.04","0.009","96.52","0.05","92.57","0.04","107.19","0.02","1276.1","1.4","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H33 N3 O9 S -","- C23 H33 N3 O9 S -","- C46 H66 N6 O18 S2 -","2","1","","Rui Tamura; Daisuke Fujimoto; Zsolt Lepp; Kentaro Misaki; Hideyuki Miura; Hiroki Takahashi; Takanori Ushio; Tadashi Nakai; Ken Hirotsu","Mechanism of Preferential Enrichment, an Unusual Enantiomeric Resolution Phenomenon Caused by Polymorphic Transition during Crystallization of Mixed Crystals Composed of Two Enantiomers","Journal of the American Chemical Society","2002","124","","13139","13153","10.1021/ja020454r","","","1.5418","CuKα","","0.0617","0.0617","","","0.1204","0.1204","","","","","","1.878","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115236","9.4967","0.0013","14.947","0.003","9.0688","0.0013","99.301","0.007","102.637","0.01","89.263","0.009","1239.3","0.4","296.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H34 N2 O7 S -","- C23 H33 N2 O7 S -","- C46 H66 N4 O14 S2 -","2","1","","Rui Tamura; Daisuke Fujimoto; Zsolt Lepp; Kentaro Misaki; Hideyuki Miura; Hiroki Takahashi; Takanori Ushio; Tadashi Nakai; Ken Hirotsu","Mechanism of Preferential Enrichment, an Unusual Enantiomeric Resolution Phenomenon Caused by Polymorphic Transition during Crystallization of Mixed Crystals Composed of Two Enantiomers","Journal of the American Chemical Society","2002","124","","13139","13153","10.1021/ja020454r","","","0.7107","MoKα","","","0.091","","","","0.157","","","","","","1.462","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115237","9.337","0.002","16.2932","0.0007","9.338","0.003","100.57","0.02","103.63","0.01","80.88","0.01","1347.2","0.5","296.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H35 N3 O9 S -","- C24 H32 N3 O9 S -","- C48 H64 N6 O18 S2 -","2","1","","Rui Tamura; Daisuke Fujimoto; Zsolt Lepp; Kentaro Misaki; Hideyuki Miura; Hiroki Takahashi; Takanori Ushio; Tadashi Nakai; Ken Hirotsu","Mechanism of Preferential Enrichment, an Unusual Enantiomeric Resolution Phenomenon Caused by Polymorphic Transition during Crystallization of Mixed Crystals Composed of Two Enantiomers","Journal of the American Chemical Society","2002","124","","13139","13153","10.1021/ja020454r","","","1.5418","CuKα","","","0.065","","","","0.089","","","","","","1.143","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115238","6.5805","0.0004","13.1199","0.0012","16.299","0.002","76.31","0.004","83.043","0.005","80.41","0.005","1343.2","0.2","296.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 N2 O7 S -","- C24 H34 N3 O8 S -","- C48 H68 N6 O16 S2 -","2","1","","Rui Tamura; Daisuke Fujimoto; Zsolt Lepp; Kentaro Misaki; Hideyuki Miura; Hiroki Takahashi; Takanori Ushio; Tadashi Nakai; Ken Hirotsu","Mechanism of Preferential Enrichment, an Unusual Enantiomeric Resolution Phenomenon Caused by Polymorphic Transition during Crystallization of Mixed Crystals Composed of Two Enantiomers","Journal of the American Chemical Society","2002","124","","13139","13153","10.1021/ja020454r","","","0.7107","MoKα","","","0.049","","","","0.077","","","","","","0.927","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115239","12.376","0.0007","12.6209","0.0007","24.2159","0.0014","77.939","0.001","86.699","0.001","67.087","0.001","3405.9","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H68 F12 N6 O25 P4 Ru2 S6 -","- C34 H64 F12 N6 O25.86 P4 Ru2 S5.625 -","- C68 H128 F24 N12 O51.72 P8 Ru4 S11.25 -","2","1","","Kazuko Matsumoto; Yoshihiro Moriya; Hiroyasu Sugiyama; Md. Munkir Hossain; Yong-Shou Lin","Dehydration Reaction of Hydroxyl Substituted Alkenes and Alkynes on the Ru2S2 Complex","Journal of the American Chemical Society","2002","124","","13106","13113","10.1021/ja020660z","","","0.71073","MoKα","","0.0868","0.0691","","","0.2059","0.2244","","","","","","1.043","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115240","12.354","0.003","14.255","0.004","18.387","0.005","90","","96.553","0.005","90","","3216.9","1.5","293","2","293","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C32 H60 F12 N6 O24 P4 Ru2 S6 -","- C32 H60 F12 N6 O24 P4 Ru2 S6 -","- C64 H120 F24 N12 O48 P8 Ru4 S12 -","2","1","","Kazuko Matsumoto; Yoshihiro Moriya; Hiroyasu Sugiyama; Md. Munkir Hossain; Yong-Shou Lin","Dehydration Reaction of Hydroxyl Substituted Alkenes and Alkynes on the Ru2S2 Complex","Journal of the American Chemical Society","2002","124","","13106","13113","10.1021/ja020660z","","","0.71073","MoKα","","0.0882","0.0684","","","0.182","0.2029","","","","","","0.992","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115241","11.9505","0.0014","12.4584","0.0015","26.732","0.003","87.759","0.003","89.973","0.003","62.913","0.002","3540","0.7","124","2","124","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H70 F12 N6 O27 P4 Ru2 S6 -","- C38 H70 F12 N6 O27 P4 Ru2 S6 -","- C76 H140 F24 N12 O54 P8 Ru4 S12 -","2","1","","Kazuko Matsumoto; Yoshihiro Moriya; Hiroyasu Sugiyama; Md. Munkir Hossain; Yong-Shou Lin","Dehydration Reaction of Hydroxyl Substituted Alkenes and Alkynes on the Ru2S2 Complex","Journal of the American Chemical Society","2002","124","","13106","13113","10.1021/ja020660z","","","0.71073","MoKα","","0.259","0.0893","","","0.1902","0.255","","","","","","0.868","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115242","12.554","0.003","13.37","0.003","23.69","0.005","75.364","0.004","82.408","0.004","70.574","0.004","3623.2","1.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H67 F12 N7 O25 P4 Ru2 S6 -","- C38 H58 F12 N7 O25 P4 Ru2 S6 -","- C76 H116 F24 N14 O50 P8 Ru4 S12 -","2","1","","Kazuko Matsumoto; Yoshihiro Moriya; Hiroyasu Sugiyama; Md. Munkir Hossain; Yong-Shou Lin","Dehydration Reaction of Hydroxyl Substituted Alkenes and Alkynes on the Ru2S2 Complex","Journal of the American Chemical Society","2002","124","","13106","13113","10.1021/ja020660z","","","0.71073","MoKα","","0.1965","0.09","","","0.2284","0.2865","","","","","","0.923","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115243","12.4374","0.001","13.4864","0.0011","19.6247","0.0016","104.868","0.001","93.109","0.002","93.599","0.002","3166.8","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H58 F12 N6 O25 P4 Ru2 S6 -","- C31 H58 F12 N6 O25 P4 Ru2 S6 -","- C62 H116 F24 N12 O50 P8 Ru4 S12 -","2","1","","Kazuko Matsumoto; Yoshihiro Moriya; Hiroyasu Sugiyama; Md. Munkir Hossain; Yong-Shou Lin","Dehydration Reaction of Hydroxyl Substituted Alkenes and Alkynes on the Ru2S2 Complex","Journal of the American Chemical Society","2002","124","","13106","13113","10.1021/ja020660z","","","0.71073","MoKα","","0.1363","0.1105","","","0.3356","0.3626","","","","","","1.455","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115244","12.48","0.006","34.563","0.016","15.179","0.007","90","","95.785","0.01","90","","6514","5","124","2","124","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H62 F12 N6 O25 P4 Ru2 S6 -","- C35 H62 F12 N6 O25 P4 Ru2 S6 -","- C140 H248 F48 N24 O100 P16 Ru8 S24 -","4","1","","Kazuko Matsumoto; Yoshihiro Moriya; Hiroyasu Sugiyama; Md. Munkir Hossain; Yong-Shou Lin","Dehydration Reaction of Hydroxyl Substituted Alkenes and Alkynes on the Ru2S2 Complex","Journal of the American Chemical Society","2002","124","","13106","13113","10.1021/ja020660z","","","0.71073","MoKα","","0.338","0.1132","","","0.2492","0.3338","","","","","","0.867","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115245","13.0023","0.0008","14.5983","0.0009","15.9613","0.001","83.442","0.001","87.359","0.001","85.903","0.001","2999.9","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H57 F9 N6 O22 P4 Ru2 S5 -","- C31 H54 F9 N6 O22 P4 Ru2 S5 -","- C62 H108 F18 N12 O44 P8 Ru4 S10 -","2","1","","Kazuko Matsumoto; Yoshihiro Moriya; Hiroyasu Sugiyama; Md. Munkir Hossain; Yong-Shou Lin","Dehydration Reaction of Hydroxyl Substituted Alkenes and Alkynes on the Ru2S2 Complex","Journal of the American Chemical Society","2002","124","","13106","13113","10.1021/ja020660z","","","0.71073","MoKα","","0.1675","0.0994","","","0.265","0.312","","","","","","1.001","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115246","12.5969","0.0011","13.7742","0.0012","18.7252","0.0017","90.962","0.002","90.459","0.002","107.41","0.002","3099.5","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H61 F9 N6 O22 P4 Ru2 S5 -","- C33.04 H37 F9 N6 O22 P4 Ru2 S5 -","- C66.08 H74 F18 N12 O44 P8 Ru4 S10 -","2","1","","Kazuko Matsumoto; Yoshihiro Moriya; Hiroyasu Sugiyama; Md. Munkir Hossain; Yong-Shou Lin","Dehydration Reaction of Hydroxyl Substituted Alkenes and Alkynes on the Ru2S2 Complex","Journal of the American Chemical Society","2002","124","","13106","13113","10.1021/ja020660z","","","0.71073","MoKα","","0.0991","0.0871","","","0.2122","0.2226","","","","","","1.033","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115247","13.089","0.006","16.069","0.007","17.022","0.007","88.661","0.009","87.729","0.01","78.099","0.009","3500","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H64 F12 N6 O24 P4 Ru2 S6 -","- C36 H64 F12 N6 O24 P4 Ru2 S6 -","- C72 H128 F24 N12 O48 P8 Ru4 S12 -","2","1","","Kazuko Matsumoto; Yoshihiro Moriya; Hiroyasu Sugiyama; Md. Munkir Hossain; Yong-Shou Lin","Dehydration Reaction of Hydroxyl Substituted Alkenes and Alkynes on the Ru2S2 Complex","Journal of the American Chemical Society","2002","124","","13106","13113","10.1021/ja020660z","","","0.71073","MoKα","","0.2888","0.1009","","","0.2473","0.3472","","","","","","0.804","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115248","12.132","0.005","12.597","0.005","26.036","0.01","100.335","0.007","92.309","0.007","115.124","0.007","3514","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H65 F12 N5 O25 P4 Ru2 S6 -","- C35 H56 F12 N5 O25 P4 Ru2 S6 -","- C70 H112 F24 N10 O50 P8 Ru4 S12 -","2","1","","Kazuko Matsumoto; Yoshihiro Moriya; Hiroyasu Sugiyama; Md. Munkir Hossain; Yong-Shou Lin","Dehydration Reaction of Hydroxyl Substituted Alkenes and Alkynes on the Ru2S2 Complex","Journal of the American Chemical Society","2002","124","","13106","13113","10.1021/ja020660z","","","0.71073","MoKα","","0.1847","0.1167","","","0.3366","0.3877","","","","","","1.287","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115249","17.995","0.002","13.483","0.001","18.008","0.002","90","","90.06","0.008","90","","4369.2","0.8","130","","130","1","","","","","","","see text","5","P 1 2/c 1","-P 2yc","13","","","","- C52 H66 B O2 Ti -","- C208 H259.104 B4 O8 Ti4 -","- C208 H259.104 B4 O8 Ti4 -","1","0.25","","Marco W. Bouwkamp; Jeanette de Wolf; Isabel del Hierro Morales; Jeroen Gercama; Auke Meetsma; Sergei I. Troyanov; Bart Hessen; Jan H. Teuben","Structure of the Decamethyl Titanocene Cation, a Metallocene with Two Agostic C-H Bonds, and Its Interaction with Fluorocarbons","Journal of the American Chemical Society","2002","124","","12956","12957","10.1021/ja027617w","","","0.71073","MoKα","","","0.1322","","","0.0535","","","","","","","1.025","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115250","11.992","0.001","13.649","0.002","14.883","0.001","90.95","0.01","109.499","0.008","90.865","0.009","2295.5","0.4","130","","130","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C56 H60 B F2 Ti -","- C56 H60 B F2 Ti -","- C112 H120 B2 F4 Ti2 -","2","1","","Marco W. Bouwkamp; Jeanette de Wolf; Isabel del Hierro Morales; Jeroen Gercama; Auke Meetsma; Sergei I. Troyanov; Bart Hessen; Jan H. Teuben","Structure of the Decamethyl Titanocene Cation, a Metallocene with Two Agostic C-H Bonds, and Its Interaction with Fluorocarbons","Journal of the American Chemical Society","2002","124","","12956","12957","10.1021/ja027617w","","","0.71073","MoKα","","","0.0536","","","0.1407","","","","","","","1.115","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115251","13.3636","0.0007","15.06","0.0007","17.7873","0.0009","97.131","0.001","90.604","0.001","91.97","0.001","3549.6","0.3","100","1","100","1","","","","","","","see text","4","P -1","-P 1","2","","","","- C44 H50 B Ti -","- C44 H50 B Ti -","- C176 H200 B4 Ti4 -","4","2","","Marco W. Bouwkamp; Jeanette de Wolf; Isabel del Hierro Morales; Jeroen Gercama; Auke Meetsma; Sergei I. Troyanov; Bart Hessen; Jan H. Teuben","Structure of the Decamethyl Titanocene Cation, a Metallocene with Two Agostic C-H Bonds, and Its Interaction with Fluorocarbons","Journal of the American Chemical Society","2002","124","","12956","12957","10.1021/ja027617w","","","0.71073","MoKα","","0.1079","0.0532","","","0.1074","0.1265","","","","","","0.986","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4115252","19.623","0.003","19.623","0.003","24.818","0.005","90","","90","","90","","9556","3","143","2","143","2","","","","","","","","7","P 42/n m c :2","-P 4ac 2a","137","","","","- C62 H165 Cd6 In28 N12 O14 S61 -","- Cd6 In28 S54 -","- Cd12 In56 S108 -","2","0.125","","Weiping Su; Xiaoying Huang; Jing Li; Huaxiang Fu","Crystal of Semiconducting Quantum Dots Built on Covalently Bonded T5 [In28Cd6S54]-12: The Largest Supertetrahedral Cluster in Solid State","Journal of the American Chemical Society","2002","124","","12944","12945","10.1021/ja027830s","","","0.71073","MoKα","","0.1278","0.098","","","0.1866","0.1976","","","","","","1.459","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115253","9.155","0.004","10.436","0.004","14.964","0.007","92.53","0.04","93.83","0.02","100.34","0.03","1401","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 I2 O P2 Rh -","- C28 H27 I2 O P2 Rh -","- C56 H54 I4 O2 P4 Rh2 -","2","1","","Luca Gonsalvi; Harry Adams; Glenn J. Sunley; Evert Ditzel; Anthony Haynes","Steric and Electronic Effects on the Reactivity of Rh and Ir Complexes Containing P-S, P-P, and P-O Ligands. Implications for the Effects of Chelate Ligands in Catalysis","Journal of the American Chemical Society","2002","124","","13597","13612","10.1021/ja0176191","","","0.71073","MoKα","","0.0653","0.0456","","0.1659","0.1117","","","","1.101","1.125","1.125","","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115254","10.2276","0.001","16.9486","0.0017","17.2942","0.0016","90","","102.196","0.002","90","","2930.2","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 I2 Ir O P2 S -","- C28 H27 I2 Ir O P2 S -","- C112 H108 I8 Ir4 O4 P8 S4 -","4","1","","Luca Gonsalvi; Harry Adams; Glenn J. Sunley; Evert Ditzel; Anthony Haynes","Steric and Electronic Effects on the Reactivity of Rh and Ir Complexes Containing P-S, P-P, and P-O Ligands. Implications for the Effects of Chelate Ligands in Catalysis","Journal of the American Chemical Society","2002","124","","13597","13612","10.1021/ja0176191","","","0.71073","MoKα","","0.0477","0.0405","","","0.1001","0.1074","","","","","","1.079","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115255","10.7366","0.0009","15.6551","0.0013","20.1261","0.0016","90","","94.248","0.002","90","","3373.6","0.5","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 Cl2 F3 I Ir O4 P2 S2 -","- C29 H27 Cl2 F3 I Ir O4 P2 S2 -","- C116 H108 Cl8 F12 I4 Ir4 O16 P8 S8 -","4","1","","Luca Gonsalvi; Harry Adams; Glenn J. Sunley; Evert Ditzel; Anthony Haynes","Steric and Electronic Effects on the Reactivity of Rh and Ir Complexes Containing P-S, P-P, and P-O Ligands. Implications for the Effects of Chelate Ligands in Catalysis","Journal of the American Chemical Society","2002","124","","13597","13612","10.1021/ja0176191","","","0.71073","MoKα","","0.0554","0.0413","","","0.0974","0.1098","","","","","","1.066","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115256","10.096","0.002","14.489","0.003","20.967","0.004","90","","99.76","0.03","90","","3022.7","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 I2 N O2 P2 Rh -","- C29 H28 I2 N O2 P2 Rh -","- C116 H112 I8 N4 O8 P8 Rh4 -","4","1","","Luca Gonsalvi; Harry Adams; Glenn J. Sunley; Evert Ditzel; Anthony Haynes","Steric and Electronic Effects on the Reactivity of Rh and Ir Complexes Containing P-S, P-P, and P-O Ligands. Implications for the Effects of Chelate Ligands in Catalysis","Journal of the American Chemical Society","2002","124","","13597","13612","10.1021/ja0176191","","","0.71073","MoKα","","0.1479","0.074","","","0.1576","0.1899","","","","","","1.04","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115257","3.8762","0.0001","27.0486","0.0007","11.6628","0.0003","90","","97.646","0.0016","90","","1211.92","0.05","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1Z)-naphthalene-1,2-dione 1-[(4-fluorophenyl)hydrazone]","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Gastone Gilli","The Nature of Solid-State N-H...O/O-H...N Tautomeric Competition in Resonant Systems. Intramolecular Proton Transfer in Low-Barrier Hydrogen Bonds Formed by the ...OC-CN-NH... <‒> ...HO-CC-NN... Ketohydrazone-Azoenol System. A Variable-Temperature X-ray Crystallographic and DFT Computational Study","Journal of the American Chemical Society","2002","124","","13554","13567","10.1021/ja020589x","","","0.7107","MoKα","","0.0539","0.0403","","","0.0998","0.1105","","","","","","1.051","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115258","3.8978","0.0001","27.0734","0.0008","11.6656","0.0003","90","","97.558","0.0019","90","","1220.34","0.06","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1Z)-naphthalene-1,2-dione 1-[(4-fluorophenyl)hydrazone]","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Gastone Gilli","The Nature of Solid-State N-H...O/O-H...N Tautomeric Competition in Resonant Systems. Intramolecular Proton Transfer in Low-Barrier Hydrogen Bonds Formed by the ...OC-CN-NH... <‒> ...HO-CC-NN... Ketohydrazone-Azoenol System. A Variable-Temperature X-ray Crystallographic and DFT Computational Study","Journal of the American Chemical Society","2002","124","","13554","13567","10.1021/ja020589x","","","0.7107","MoKα","","0.0565","0.043","","","0.1027","0.1138","","","","","","1.069","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115259","3.9237","0.0001","27.1083","0.0008","11.669","0.0002","90","","97.52","0.0013","90","","1230.5","0.05","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1Z)-naphthalene-1,2-dione 1-[(4-fluorophenyl)hydrazone]","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Gastone Gilli","The Nature of Solid-State N-H...O/O-H...N Tautomeric Competition in Resonant Systems. Intramolecular Proton Transfer in Low-Barrier Hydrogen Bonds Formed by the ...OC-CN-NH... <‒> ...HO-CC-NN... Ketohydrazone-Azoenol System. A Variable-Temperature X-ray Crystallographic and DFT Computational Study","Journal of the American Chemical Society","2002","124","","13554","13567","10.1021/ja020589x","","","0.7107","MoKα","","0.0599","0.0423","","","0.1012","0.1139","","","","","","1.044","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115260","3.9825","0.0001","27.1459","0.001","11.6686","0.0004","90","","97.598","0.002","90","","1250.4","0.07","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1Z)-naphtthalene-1,2-dione 1-[(4-fluorophenyl)hydrazone]","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Gastone Gilli","The Nature of Solid-State N-H...O/O-H...N Tautomeric Competition in Resonant Systems. Intramolecular Proton Transfer in Low-Barrier Hydrogen Bonds Formed by the ...OC-CN-NH... <‒> ...HO-CC-NN... Ketohydrazone-Azoenol System. A Variable-Temperature X-ray Crystallographic and DFT Computational Study","Journal of the American Chemical Society","2002","124","","13554","13567","10.1021/ja020589x","","","0.7107","MoKα","","0.0695","0.0482","","","0.1096","0.1253","","","","","","1.124","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115261","23.6288","0.0006","7.2487","0.0002","7.1894","0.0002","90","","90","","90","","1231.39","0.06","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","(1Z)-naphthalene-1,2-dione 1-[(2-fluorophenyl)hydrazone]","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Gastone Gilli","The Nature of Solid-State N-H...O/O-H...N Tautomeric Competition in Resonant Systems. Intramolecular Proton Transfer in Low-Barrier Hydrogen Bonds Formed by the ...OC-CN-NH... <‒> ...HO-CC-NN... Ketohydrazone-Azoenol System. A Variable-Temperature X-ray Crystallographic and DFT Computational Study","Journal of the American Chemical Society","2002","124","","13554","13567","10.1021/ja020589x","","","0.7107","MoKα","","0.0435","0.0357","","","0.0769","0.0805","","","","","","1.07","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115262","23.6614","0.0007","7.258","0.0002","7.2182","0.0002","90","","90","","90","","1239.61","0.06","150","","150","","","","","","","","","5","P c a 21","P 2c -2ac","29","","(1Z)-naphthalene-1,2-dione 1-[(2-fluorophenyl)hydrazone]","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Gastone Gilli","The Nature of Solid-State N-H...O/O-H...N Tautomeric Competition in Resonant Systems. Intramolecular Proton Transfer in Low-Barrier Hydrogen Bonds Formed by the ...OC-CN-NH... <‒> ...HO-CC-NN... Ketohydrazone-Azoenol System. A Variable-Temperature X-ray Crystallographic and DFT Computational Study","Journal of the American Chemical Society","2002","124","","13554","13567","10.1021/ja020589x","","","0.7107","MoKα","","0.0574","0.0394","","","0.0789","0.0862","","","","","","1.059","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115263","23.7049","0.0009","7.2711","0.0003","7.2535","0.0003","90","","90","","90","","1250.22","0.09","200","","200","","","","","","","","","5","P c a 21","P 2c -2ac","29","","(1Z)-naphthalene-1,2-dione 1-[(2-fluorophenyl)hydrazone]","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Gastone Gilli","The Nature of Solid-State N-H...O/O-H...N Tautomeric Competition in Resonant Systems. Intramolecular Proton Transfer in Low-Barrier Hydrogen Bonds Formed by the ...OC-CN-NH... <‒> ...HO-CC-NN... Ketohydrazone-Azoenol System. A Variable-Temperature X-ray Crystallographic and DFT Computational Study","Journal of the American Chemical Society","2002","124","","13554","13567","10.1021/ja020589x","","","0.7107","MoKα","","0.0468","0.0385","","","0.0846","0.091","","","","","","1.129","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115264","23.78","0.001","7.2962","0.0004","7.3283","0.0005","90","","90","","90","","1271.49","0.12","295","","295","","","","","","","","","5","P c a 21","P 2c -2ac","29","","(1Z)-naphthalene-1,2-dione 1-[(2-fluorophenyl)hydrazone]","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Gastone Gilli","The Nature of Solid-State N-H...O/O-H...N Tautomeric Competition in Resonant Systems. Intramolecular Proton Transfer in Low-Barrier Hydrogen Bonds Formed by the ...OC-CN-NH... <‒> ...HO-CC-NN... Ketohydrazone-Azoenol System. A Variable-Temperature X-ray Crystallographic and DFT Computational Study","Journal of the American Chemical Society","2002","124","","13554","13567","10.1021/ja020589x","","","0.7107","MoKα","","0.0618","0.0482","","","0.0991","0.1071","","","","","","1.226","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115265","14.3791","0.0011","11.7604","0.0009","11.723","0.0009","90","","91.02","0.02","90","","1982.1","0.3","203","2","203","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","Bis(tBu)dihydrodimethylpyrene","","","- C26 H32 -","- C26 H32 -","- C104 H128 -","4","0.5","","Richard Vaughan Williams; John R. Armantrout; Brendan Twamley; Reginald H. Mitchell; Timothy R. Ward; Subhajit Bandyopadhyay","A Theoretical and Experimental Scale of Aromaticity. The First Nucleus-Independent Chemical Shifts (NICS) Study of the Dimethyldihydropyrene Nucleus","Journal of the American Chemical Society","2002","124","","13495","13505","10.1021/ja020595t","","","0.71073","MoKα","","0.0637","0.0419","","","0.1007","0.1124","","","","","","1.016","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115266","12.701","0.009","9.569","0.007","38.07","0.03","90","","90","","90","","4627","6","203","2","203","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","Phenyl-bis(tBu)dihydrodimethylpyrene","","","- C30 H34 -","- C30 H34 -","- C240 H272 -","8","1","","Richard Vaughan Williams; John R. Armantrout; Brendan Twamley; Reginald H. Mitchell; Timothy R. Ward; Subhajit Bandyopadhyay","A Theoretical and Experimental Scale of Aromaticity. The First Nucleus-Independent Chemical Shifts (NICS) Study of the Dimethyldihydropyrene Nucleus","Journal of the American Chemical Society","2002","124","","13495","13505","10.1021/ja020595t","","","0.71073","MoKα","","0.134","0.0629","","","0.1383","0.1657","","","","","","1.023","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115267","10.13","0.002","15.444","0.003","11.761","0.003","90","","114.03","0.004","90","","1680.5","0.6","158","2","158","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H43 N O7 S -","- C33 H43 N O7 S -","- C66 H86 N2 O14 S2 -","2","1","","Joseph P. Marino; Maria B. Rubio; Ganfeng Cao; Alfonso de Dios","Total Synthesis of (+)-Aspidospermidine: A New Strategy for the Enantiospecific Synthesis of Aspidosperma Alkaloids","Journal of the American Chemical Society","2002","124","","13398","13399","10.1021/ja026357f","","","0.71073","MoKα","","0.0821","0.0704","","","0.1819","0.1908","","","","","","1.103","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115268","11.871","0.0001","14.7773","0.0001","15.1011","0.0002","98.764","0.001","113.107","0.001","113.387","0.001","2082.06","0.05","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H62 Cl18 N12 O4 -","- C74 H54 Cl18 N12 O4 -","- C74 H54 Cl18 N12 O4 -","1","0.5","","Jonathan L. Sessler; Hiromitsu Maeda; Toshihisa Mizuno; Vincent M. Lynch; Hiroyuki Furuta","Quinoxaline-Bridged Porphyrinoids","Journal of the American Chemical Society","2002","124","","13474","13479","10.1021/ja0273750","","","0.71073","MoKα","","0.0899","0.064","","","0.1363","0.1413","","","","","","2.41","","","","has coordinates,has disorder","178923","2020-10-21","18:00:00",""
"4115269","11.3486","0.0002","11.4566","0.0002","15.2482","0.0003","112.061","0.001","95.776","0.001","102.885","0.001","1753.4","0.06","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H52 Cl12 N12 O4 -","- C72 H52 Cl12 N12 O4 -","- C72 H52 Cl12 N12 O4 -","1","0.5","","Jonathan L. Sessler; Hiromitsu Maeda; Toshihisa Mizuno; Vincent M. Lynch; Hiroyuki Furuta","Quinoxaline-Bridged Porphyrinoids","Journal of the American Chemical Society","2002","124","","13474","13479","10.1021/ja0273750","","","0.71073","MoKα","","0.1791","0.0797","","","0.1079","0.137","","","","","","1.037","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115270","7.488","0.0003","15.8282","0.0006","18.6874","0.0008","103.797","0.002","92.751","0.002","102.723","0.002","2086.29","0.15","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H62 Cl18 N12 O4 -","- C76 H60 Cl12 N12 O4 -","- C76 H60 Cl12 N12 O4 -","1","0.5","","Jonathan L. Sessler; Hiromitsu Maeda; Toshihisa Mizuno; Vincent M. Lynch; Hiroyuki Furuta","Quinoxaline-Bridged Porphyrinoids","Journal of the American Chemical Society","2002","124","","13474","13479","10.1021/ja0273750","","","0.71073","MoKα","","0.1577","0.0866","","","0.1544","0.1668","","","","","","1.606","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115271","14.2","0.001","9.8919","0.0007","23.384","0.002","90","","92.757","0.002","90","","3280.8","0.4","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H31 Cl3 O2 -","- C38 H31 Cl3 O2 -","- C152 H124 Cl12 O8 -","4","1","","Makoto Yasuda; Kay Hirata; Mitsuyoshi Nishino; Akihiro Yamamoto; Akio Baba","Diastereoselective Addition of γ-Substituted Allylic Nucleophiles to Ketones: Highly Stereoselective Synthesis of Tertiary Homoallylic Alcohols Using an Allylic Tributylstannane/Stannous Chloride System","Journal of the American Chemical Society","2002","124","","13442","13447","10.1021/ja0274047","","","0.7107","MoKα","","","0.1345","","","","0.2132","","","","","","4.382","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115272","7.601","0.006","9.651","0.004","26.999","0.004","90","","95.76","0.03","90","","1970.6","1.8","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cl N O4 -","- C21 H20 Cl N O4 -","- C84 H80 Cl4 N4 O16 -","4","1","","Makoto Yasuda; Kay Hirata; Mitsuyoshi Nishino; Akihiro Yamamoto; Akio Baba","Diastereoselective Addition of γ-Substituted Allylic Nucleophiles to Ketones: Highly Stereoselective Synthesis of Tertiary Homoallylic Alcohols Using an Allylic Tributylstannane/Stannous Chloride System","Journal of the American Chemical Society","2002","124","","13442","13447","10.1021/ja0274047","","","0.7107","MoKα","","","0.0555","","","","0.1747","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115273","10.499","0.003","13.601","0.003","13.298","0.002","90","","108.39","0.02","90","","1801.9","0.7","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl N O4 -","- C19 H18 Cl N O4 -","- C76 H72 Cl4 N4 O16 -","4","1","","Makoto Yasuda; Kay Hirata; Mitsuyoshi Nishino; Akihiro Yamamoto; Akio Baba","Diastereoselective Addition of γ-Substituted Allylic Nucleophiles to Ketones: Highly Stereoselective Synthesis of Tertiary Homoallylic Alcohols Using an Allylic Tributylstannane/Stannous Chloride System","Journal of the American Chemical Society","2002","124","","13442","13447","10.1021/ja0274047","","","0.7107","MoKα","","","0.0721","","","","0.0781","","","","","","2.333","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115274","11.656","0.002","12.003","0.002","7.257","0.003","92.12","0.02","101.38","0.02","91.17","0.02","994.3","0.5","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C46 H42 N2 O8 -","2","1","","Makoto Yasuda; Kay Hirata; Mitsuyoshi Nishino; Akihiro Yamamoto; Akio Baba","Diastereoselective Addition of γ-Substituted Allylic Nucleophiles to Ketones: Highly Stereoselective Synthesis of Tertiary Homoallylic Alcohols Using an Allylic Tributylstannane/Stannous Chloride System","Journal of the American Chemical Society","2002","124","","13442","13447","10.1021/ja0274047","","","0.7107","MoKα","","","0.0467","","","","0.1778","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115275","10.421","0.002","12.772","0.002","10.248","0.001","91.75","0.01","110.754","0.009","106.06","0.01","1213.1","0.3","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O8 -","- C26 H22 N2 O8 -","- C52 H44 N4 O16 -","2","1","","Makoto Yasuda; Kay Hirata; Mitsuyoshi Nishino; Akihiro Yamamoto; Akio Baba","Diastereoselective Addition of γ-Substituted Allylic Nucleophiles to Ketones: Highly Stereoselective Synthesis of Tertiary Homoallylic Alcohols Using an Allylic Tributylstannane/Stannous Chloride System","Journal of the American Chemical Society","2002","124","","13442","13447","10.1021/ja0274047","","","0.7107","MoKα","","","0.0443","","","","0.1562","","","","","","0.988","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115276","23.703","0.002","23.703","0.002","10.2725","0.0007","90","","90","","90","","5771.4","0.8","296.2","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C272 H288 O32 -","16","1","","Makoto Yasuda; Kay Hirata; Mitsuyoshi Nishino; Akihiro Yamamoto; Akio Baba","Diastereoselective Addition of γ-Substituted Allylic Nucleophiles to Ketones: Highly Stereoselective Synthesis of Tertiary Homoallylic Alcohols Using an Allylic Tributylstannane/Stannous Chloride System","Journal of the American Chemical Society","2002","124","","13442","13447","10.1021/ja0274047","","","0.7107","MoKα","","","0.0361","","","","0.0783","","","","","","0.658","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115277","16.063","0.002","16.375","0.002","5.6664","0.0009","90","","96.211","0.004","90","","1481.7","0.3","296.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Makoto Yasuda; Kay Hirata; Mitsuyoshi Nishino; Akihiro Yamamoto; Akio Baba","Diastereoselective Addition of γ-Substituted Allylic Nucleophiles to Ketones: Highly Stereoselective Synthesis of Tertiary Homoallylic Alcohols Using an Allylic Tributylstannane/Stannous Chloride System","Journal of the American Chemical Society","2002","124","","13442","13447","10.1021/ja0274047","","","0.7107","MoKα","","","0.0651","","","","0.1462","","","","","","2.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115278","12.4234","0.0006","12.3944","0.0006","7.8787","0.0003","90","","90.012","0.001","90","","1213.17","0.09","301","2","301","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Br Cl F I -","- C10 H12 Br Cl F I -","- C40 H48 Br4 Cl4 F4 I4 -","4","1","","Peter R. Schreiner; Andrey A. Fokin; Oliver Lauenstein; Yoshio Okamoto; Tsuneki Wakita; Christopher Rinderspacher; Gregory H. Robinson; Jason K. Vohs; Charles F. Campana","Pseudotetrahedral Polyhaloadamantanes as Chirality Probes: Synthesis, Separation, and Absolute Configuration","Journal of the American Chemical Society","2002","124","","13348","13349","10.1021/ja0274195","","","0.71073","MoKα","","0.0957","0.0879","","","0.2187","0.2226","","","","","","1.321","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115279","6.971","0.003","8.667","0.002","15.737","0.002","80.81","0.01","88.21","0.02","66.44","0.02","859.8","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H33 Br N -","- C15 H33 Br N -","- C30 H66 Br2 N2 -","2","1","","Damien Berthier; Thierry Buffeteau; Jean-Michel Léger; Reiko Oda; Ivan Huc","From Chiral Counterions to Twisted Membranes","Journal of the American Chemical Society","2002","124","","13486","13494","10.1021/ja027660j","","","1.54178","CuKα","","0.0503","0.0471","","0.1442","0.1384","","","","1.034","1.043","1.043","","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115280","8.241","0.001","9.356","0.001","14.281","0.001","74.423","0.01","85.333","0.01","71.042","0.01","1003.11","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H37 Br N2 O3 -","- C17 H33 Br N O2.85 -","- C34 H66 Br2 N2 O5.7 -","2","1","","Damien Berthier; Thierry Buffeteau; Jean-Michel Léger; Reiko Oda; Ivan Huc","From Chiral Counterions to Twisted Membranes","Journal of the American Chemical Society","2002","124","","13486","13494","10.1021/ja027660j","","","1.5418","CuKα","","0.2056","0.1121","","","0.2584","0.3217","","","","","","1.036","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115281","33.922","0.002","10.165","0.001","19.071","0.002","90","","90.268","0.008","90","","6575.9","1","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 N11 -","- C35 H31 N11 -","- C280 H248 N88 -","8","1","","David B. Kimball; Timothy J. R. Weakley; Rainer Herges; Michael M. Haley","Deciphering the Mechanistic Dichotomy in the Cyclization of 1-(2-Ethynylphenyl)-3,3-dialkyltriazenes: Competition between Pericyclic and Pseudocoarctate Pathways","Journal of the American Chemical Society","2002","124","","13463","13473","10.1021/ja027809r","","","0.71073","MoKα","","0.066","0.051","","0.102","","0.05","","","1.62","","","1.85","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115282","8.503","0.002","14.849","0.002","16.74","0.002","90","","100.59","0.02","90","","2077.6","0.6","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N3 -","- C25 H25 N3 -","- C100 H100 N12 -","4","1","","David B. Kimball; Timothy J. R. Weakley; Rainer Herges; Michael M. Haley","Deciphering the Mechanistic Dichotomy in the Cyclization of 1-(2-Ethynylphenyl)-3,3-dialkyltriazenes: Competition between Pericyclic and Pseudocoarctate Pathways","Journal of the American Chemical Society","2002","124","","13463","13473","10.1021/ja027809r","","","0.71073","MoKα","","0.116","0.08","","0.141","","0.068","","","1.61","","","2.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115283","12.7216","0.0019","15.1679","0.0019","25.883","0.004","79.492","0.012","86.2","0.012","69.796","0.009","4608.4","1.2","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C98.25 H62.5 Cl7 F4.5 N4 O25 S4 -","- C97.5 H52 Cl7.26 F4.5 N4 O25 S4 -","- C195 H104 Cl14.52 F9 N8 O50 S8 -","2","1","","Howard M. Colquhoun; David J. Williams; Zhixue Zhu","Macrocyclic Aromatic Ether-Imide-Sulfones: Versatile Supramolecular Receptors with Extreme Thermochemical and Oxidative Stability","Journal of the American Chemical Society","2002","124","","13346","13347","10.1021/ja027851m","","","1.54178","CuKα","","0.1447","0.0863","","0.2174","0.193","","","","1.139","1.268","1.268","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115284","11.037","0.002","12.434","0.002","21.401","0.002","100.791","0.012","91.485","0.011","111.457","0.013","2670.7","0.8","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C54.3 H36.6 Cl9.6 N2 O10 S2 -","- C50 H28 N2 O10 S2 -","- C100 H56 N4 O20 S4 -","2","1","","Howard M. Colquhoun; David J. Williams; Zhixue Zhu","Macrocyclic Aromatic Ether-Imide-Sulfones: Versatile Supramolecular Receptors with Extreme Thermochemical and Oxidative Stability","Journal of the American Chemical Society","2002","124","","13346","13347","10.1021/ja027851m","","","1.54178","CuKα","","0.1122","0.0869","","0.2321","0.2214","","","","1.481","1.775","1.775","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115285","9.8199","0.0006","36.2332","0.0012","17.4128","0.0007","90","","106.171","0.004","90","","5950.5","0.5","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H54 N4 O12 S2 -","- C76 H54 N4 O12 S2 -","- C304 H216 N16 O48 S8 -","4","1","","Howard M. Colquhoun; David J. Williams; Zhixue Zhu","Macrocyclic Aromatic Ether-Imide-Sulfones: Versatile Supramolecular Receptors with Extreme Thermochemical and Oxidative Stability","Journal of the American Chemical Society","2002","124","","13346","13347","10.1021/ja027851m","","","1.54178","CuKα","","0.0595","0.0423","","0.1147","0.1014","","","","1.042","1.084","1.084","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115286","21.651","0.003","16.699","0.002","30.468","0.002","90","","90","","90","","11016","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C122 H76 Cl8 N6 O22 Pd S4 -","- C122 H76 Cl8 N6 O22 Pd S4 -","- C488 H304 Cl32 N24 O88 Pd4 S16 -","4","0.5","","Howard M. Colquhoun; David J. Williams; Zhixue Zhu","Macrocyclic Aromatic Ether-Imide-Sulfones: Versatile Supramolecular Receptors with Extreme Thermochemical and Oxidative Stability","Journal of the American Chemical Society","2002","124","","13346","13347","10.1021/ja027851m","","","1.54178","CuKα","","0.2447","0.0998","","0.283","0.1953","","","","1.081","1.347","1.347","","","","","has coordinates,has disorder","178923","2020-10-21","18:00:00",""
"4115287","9.6206","0.0007","43.267","0.003","15.1111","0.0011","90","","95.257","0.006","90","","6263.6","0.8","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C146 H90 Cl12 N4 O22 S4 -","- C146 H90 Cl12 N4 O22 S4 -","- C292 H180 Cl24 N8 O44 S8 -","2","0.5","","Howard M. Colquhoun; David J. Williams; Zhixue Zhu","Macrocyclic Aromatic Ether-Imide-Sulfones: Versatile Supramolecular Receptors with Extreme Thermochemical and Oxidative Stability","Journal of the American Chemical Society","2002","124","","13346","13347","10.1021/ja027851m","","","1.54178","CuKα","","0.1734","0.0883","","0.2765","0.2118","","","","1.147","1.347","1.347","","","","","has coordinates,has disorder","178923","2020-10-21","18:00:00",""
"4115288","16.6123","0.001","14.499","0.0009","21.2765","0.0013","90","","111.761","0.001","90","","4759.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H39 Na12 Np2 O110 P2 W18 -","- Na12 Np2 O110 P2 W18 -","- Na24 Np4 O220 P4 W36 -","2","0.5","","Andrew J. Gaunt; Iain May; Madeleine Helliwell; Steve Richardson","The First Structural and Spectroscopic Characterization of a Neptunyl Polyoxometalate Complex","Journal of the American Chemical Society","2002","124","","13350","13351","10.1021/ja028005e","","","0.71073","MoKα","","0.0829","0.0618","","","0.1508","0.163","","","","","","0.981","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115289","11.4789","0.0006","11.1983","0.0005","16.7409","0.0008","90","","106.559","0.001","90","","2062.7","0.17","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C96 H104 N8 O16 -","4","1","","Ohyun Kwon; Seung Bum Park; Stuart L. Schreiber","Skeletal Diversity via a Branched Pathway: Efficient Synthesis of 29400 Discrete, Polycyclic Compounds and Their Arraying into Stock Solutions","Journal of the American Chemical Society","2002","124","","13402","13404","10.1021/ja028086e","","","0.71073","MoKα","","0.0495","0.0419","","","0.1098","0.116","","","","","","1.055","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115290","10.4042","0.0006","10.9633","0.0007","11.9333","0.0007","87.657","0.001","71.839","0.001","69.444","0.001","1207.41","0.13","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 Br2 F N3 O4 -","- C26 H16 Br2 F N3 O4 -","- C52 H32 Br4 F2 N6 O8 -","2","1","","Ohyun Kwon; Seung Bum Park; Stuart L. Schreiber","Skeletal Diversity via a Branched Pathway: Efficient Synthesis of 29400 Discrete, Polycyclic Compounds and Their Arraying into Stock Solutions","Journal of the American Chemical Society","2002","124","","13402","13404","10.1021/ja028086e","","","0.71073","MoKα","","0.0683","0.0466","","","0.1187","0.1303","","","","","","1.008","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115291","8.7883","0.0011","10.7793","0.0015","16.657","0.002","89.879","0.002","81.922","0.003","66.124","0.002","1426","0.3","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C31.5 H24 Br Cl F N3 O6 -","- C31.5 H24 Br Cl F N3 O6 -","- C63 H48 Br2 Cl2 F2 N6 O12 -","2","1","","Ohyun Kwon; Seung Bum Park; Stuart L. Schreiber","Skeletal Diversity via a Branched Pathway: Efficient Synthesis of 29400 Discrete, Polycyclic Compounds and Their Arraying into Stock Solutions","Journal of the American Chemical Society","2002","124","","13402","13404","10.1021/ja028086e","","","0.71073","MoKα","","0.0991","0.0489","","","0.1167","0.1361","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115292","9.2454","0.0005","8.6672","0.0004","25.6417","0.0015","90","","95.526","0.001","90","","2045.16","0.19","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 Cl2 O4 -","- C23 H20 Cl2 O4 -","- C92 H80 Cl8 O16 -","4","1","","Ohyun Kwon; Seung Bum Park; Stuart L. Schreiber","Skeletal Diversity via a Branched Pathway: Efficient Synthesis of 29400 Discrete, Polycyclic Compounds and Their Arraying into Stock Solutions","Journal of the American Chemical Society","2002","124","","13402","13404","10.1021/ja028086e","","","0.71073","MoKα","","0.0769","0.0465","","","0.1206","0.1397","","","","","","0.968","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115293","18.2827","0.0011","16.4696","0.0011","16.3919","0.001","90","","93.57","0.001","90","","4926.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H60 F9 N2 O15 P -","- C44 H58 F9 N2 O14 P -","- C176 H232 F36 N8 O56 P4 -","4","1","","Jason W. Jones; Lev N. Zakharov; Arnold L. Rheingold; Harry W. Gibson","Cooperative Host/Guest Interactions via Counterion Assisted Chelation: Pseudorotaxanes from Supramolecular Cryptands","Journal of the American Chemical Society","2002","124","","13378","13379","10.1021/ja028306o","","","0.71073","MoKα","","0.0941","0.07","","","0.1613","0.1735","","","","","","1.058","","","","has coordinates,has disorder","178923","2020-10-21","18:00:00",""
"4115294","7.6777","0.0004","23.502","0.0013","13.5215","0.0007","90","","90.773","0.001","90","","2439.6","0.2","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H27 B11 Cl6 O2 -","- C9 H27 B11 Cl6 O2 -","- C36 H108 B44 Cl24 O8 -","4","1","","Daniel Stasko; Stephan P. Hoffmann; Kee-Chan Kim; Nathanael L. P. Fackler; Anna S. Larsen; Tatiana Drovetskaya; Fook S. Tham; Christopher A. Reed; Clifton E. F. Rickard; Peter D. W. Boyd; Evgenii S. Stoyanov","Molecular Structure of the Solvated Proton in Isolated Salts. Short, Strong, Low Barrier (SSLB) H-bonds","Journal of the American Chemical Society","2002","124","","13869","13876","10.1021/ja012671i","","","0.71073","MoKα","","0.0666","0.0409","","","0.0949","0.1055","","","","","","1.02","","","","has coordinates,has disorder","178923","2020-10-21","18:00:00",""
"4115295","12.1524","0.0001","24.9529","0.0002","17.1935","0.0002","90","","108.35","0.001","90","","4948.6","0.09","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(tetrahydrofuran)hydronium hexabromocarborane","","- C9 H23 B11 Br6 O2 -","- C9 H22 B11 Br6 O2 -","- C72 H176 B88 Br48 O16 -","8","2","","Daniel Stasko; Stephan P. Hoffmann; Kee-Chan Kim; Nathanael L. P. Fackler; Anna S. Larsen; Tatiana Drovetskaya; Fook S. Tham; Christopher A. Reed; Clifton E. F. Rickard; Peter D. W. Boyd; Evgenii S. Stoyanov","Molecular Structure of the Solvated Proton in Isolated Salts. Short, Strong, Low Barrier (SSLB) H-bonds","Journal of the American Chemical Society","2002","124","","13869","13876","10.1021/ja012671i","","","0.71073","MoKα","","0.1025","0.0496","","","0.0887","0.1067","","","","","","1.022","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115296","9.9028","0.0005","13.8281","0.0007","13.9213","0.0007","68.214","0.001","74.937","0.001","84.967","0.002","1709.28","0.15","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 B11 Cl6 O2 -","- C27 H27 B11 Cl6 O2 -","- C54 H54 B22 Cl12 O4 -","2","1","","Daniel Stasko; Stephan P. Hoffmann; Kee-Chan Kim; Nathanael L. P. Fackler; Anna S. Larsen; Tatiana Drovetskaya; Fook S. Tham; Christopher A. Reed; Clifton E. F. Rickard; Peter D. W. Boyd; Evgenii S. Stoyanov","Molecular Structure of the Solvated Proton in Isolated Salts. Short, Strong, Low Barrier (SSLB) H-bonds","Journal of the American Chemical Society","2002","124","","13869","13876","10.1021/ja012671i","","","0.71073","MoKα","","0.0922","0.0536","","","0.1236","0.141","","","","","","1.021","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115297","7.6653","0.0008","19.583","0.002","9.0121","0.0009","90","","91.987","0.002","90","","1352","0.2","213","2","213","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C13 H17 B11 Cl6 N2 O4 -","- C13 H17 B11 Cl6 N2 O4 -","- C26 H34 B22 Cl12 N4 O8 -","2","0.5","","Daniel Stasko; Stephan P. Hoffmann; Kee-Chan Kim; Nathanael L. P. Fackler; Anna S. Larsen; Tatiana Drovetskaya; Fook S. Tham; Christopher A. Reed; Clifton E. F. Rickard; Peter D. W. Boyd; Evgenii S. Stoyanov","Molecular Structure of the Solvated Proton in Isolated Salts. Short, Strong, Low Barrier (SSLB) H-bonds","Journal of the American Chemical Society","2002","124","","13869","13876","10.1021/ja012671i","","","0.71073","MoKα","","0.0545","0.0382","","","0.0962","0.1064","","","","","","1.04","","","","has coordinates,has disorder","178923","2020-10-21","18:00:00",""
"4115298","23.374","0.005","15.107","0.004","23.804","0.005","90","","99.907","0.01","90","","8280","3","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H19 B11 Cl6 O2 -","- C5 H19 B11 Cl6 O2 -","- C80 H304 B176 Cl96 O32 -","16","4","","Daniel Stasko; Stephan P. Hoffmann; Kee-Chan Kim; Nathanael L. P. Fackler; Anna S. Larsen; Tatiana Drovetskaya; Fook S. Tham; Christopher A. Reed; Clifton E. F. Rickard; Peter D. W. Boyd; Evgenii S. Stoyanov","Molecular Structure of the Solvated Proton in Isolated Salts. Short, Strong, Low Barrier (SSLB) H-bonds","Journal of the American Chemical Society","2002","124","","13869","13876","10.1021/ja012671i","","","0.71073","MoKα","","0.1248","0.0534","","","0.1025","0.1248","","","","","","1.013","","","","has coordinates,has disorder","178923","2020-10-21","18:00:00",""
"4115299","12.9829","0.0006","36.305","0.002","14.0126","0.0006","90","","108.087","0.001","90","","6278.4","0.5","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H71 Cl2 Fe N7 O5 -","- C70 H71 Cl2 Fe N7 O5 -","- C280 H284 Cl8 Fe4 N28 O20 -","4","1","","Mary K. Ellison; Charles E. Schulz; W. Robert Scheidt","Nitrosyliron(III) Porphyrinates: Porphyrin Core Conformation and FeNO Geometry. Any Correlation?","Journal of the American Chemical Society","2002","124","","13833","13841","10.1021/ja0207145","","","0.71073","MoKα","","0.0864","0.0659","","0.1891","0.1728","","","","1.026","1.084","1.084","","","","","has coordinates,has disorder","178923","2020-10-21","18:00:00",""
"4115300","14.062","0.002","16.175","0.003","19.948","0.003","69.427","0.003","71.504","0.003","89.054","0.003","4005.3","1.1","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.5 H51 Cl2 Fe N7 O5 -","- C40.5 H51 Cl2 Fe N7 O5 -","- C162 H204 Cl8 Fe4 N28 O20 -","4","2","","Mary K. Ellison; Charles E. Schulz; W. Robert Scheidt","Nitrosyliron(III) Porphyrinates: Porphyrin Core Conformation and FeNO Geometry. Any Correlation?","Journal of the American Chemical Society","2002","124","","13833","13841","10.1021/ja0207145","","","0.71073","MoKα","","0.0866","0.0521","","0.1558","0.1338","","","","0.956","1.044","1.044","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115301","9.7923","0.0008","14.5753","0.0011","25.18","0.002","89.96","0.007","89.964","0.007","89.928","0.007","3593.8","0.5","153.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H36 Si4 -","- C16 H36 Si4 -","- C96 H216 Si24 -","6","3","","Günther Maier; Jörg Neudert; Oliver Wolf; Dirk Pappusch; Akira Sekiguchi; Masanobu Tanaka; Tsukasa Matsuo","Tetrakis(trimethylsilyl)tetrahedrane+","Journal of the American Chemical Society","2002","124","","13819","13826","10.1021/ja020863n","","","0.7107","MoKα","","","0.071","","","","0.188","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115302","12.1429","0.0003","33.2454","0.0008","15.7008","0.0004","90","","94.494","0.001","90","","6318.9","0.3","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C113 H158 Cl12 Cu6 N18 O11 -","- C56.5 H72 Cl6 Cu3 N9 O5.5 -","- C226 H288 Cl24 Cu12 N36 O22 -","4","2","","Makoto Komiyama; Shinichiro Kina; Kazunari Matsumura; Jun Sumaoka; Suzanne Tobey; Vincent M. Lynch; Eric Anslyn","Trinuclear Copper(II) Complex Showing High Selectivity for the Hydrolysis of 2'-5' over 3'-5' for UpU and 3'-5' over 2'-5' for ApA Ribonucleotides","Journal of the American Chemical Society","2002","124","","13731","13736","10.1021/ja020877t","","","0.71073","MoKα","","0.1953","0.116","","","0.1639","0.1798","","","","","","1.867","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115303","9.2962","0.0005","23.9211","0.0012","15.0493","0.0008","90","","96.508","0.001","90","","3325","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H29 Cl2 Co -","- C40 H29 Cl2 Co -","- C160 H116 Cl8 Co4 -","4","1","","Matthew Laskoski; Winfried Steffen; Jason G. M. Morton; Mark D. Smith; Uwe H. F. Bunz","Synthesis and Explosive Decomposition of Organometallic Dehydro[18]annulenes: An Access to Carbon Nanostructures","Journal of the American Chemical Society","2002","124","","13814","13818","10.1021/ja026809o","","","0.71073","MoKα","","0.081","0.0582","","","0.1736","0.1863","","","","","","1.051","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115304","9.5471","0.001","14.7157","0.0014","18.3884","0.0018","95.188","0.002","91.231","0.002","93.394","0.002","2567.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H70 Co Si2 -","- C58 H70 Co Si2 -","- C116 H140 Co2 Si4 -","2","1","","Matthew Laskoski; Winfried Steffen; Jason G. M. Morton; Mark D. Smith; Uwe H. F. Bunz","Synthesis and Explosive Decomposition of Organometallic Dehydro[18]annulenes: An Access to Carbon Nanostructures","Journal of the American Chemical Society","2002","124","","13814","13818","10.1021/ja026809o","","","0.71073","MoKα","","0.0963","0.0651","","","0.1554","0.1691","","","","","","1.01","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115305","9.4538","0.0007","22.1839","0.0016","16.7388","0.0012","90","","93.265","0.002","90","","3504.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H33 Cl2 Co -","- C42 H33 Cl2 Co -","- C168 H132 Cl8 Co4 -","4","1","","Matthew Laskoski; Winfried Steffen; Jason G. M. Morton; Mark D. Smith; Uwe H. F. Bunz","Synthesis and Explosive Decomposition of Organometallic Dehydro[18]annulenes: An Access to Carbon Nanostructures","Journal of the American Chemical Society","2002","124","","13814","13818","10.1021/ja026809o","","","0.71073","MoKα","","0.1507","0.0573","","","0.1054","0.1315","","","","","","0.961","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115306","11.982","0.001","13.2987","0.0011","18.256","0.0016","69.471","0.002","79.704","0.002","89.862","0.002","2674.7","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H18 Cl1.5 Fe -","- C35 H18 Cl1.5 Fe -","- C140 H72 Cl6 Fe4 -","4","2","","Matthew Laskoski; Winfried Steffen; Jason G. M. Morton; Mark D. Smith; Uwe H. F. Bunz","Synthesis and Explosive Decomposition of Organometallic Dehydro[18]annulenes: An Access to Carbon Nanostructures","Journal of the American Chemical Society","2002","124","","13814","13818","10.1021/ja026809o","","","0.71073","MoKα","","0.1586","0.0744","","","0.1703","0.2096","","","","","","0.956","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115307","9.0856","0.0006","11.8076","0.0008","16.3129","0.0011","96.19","0.001","95.868","0.001","104.724","0.001","1667.33","0.19","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H28 Fe -","- C40 H28 Fe -","- C80 H56 Fe2 -","2","1","","Matthew Laskoski; Winfried Steffen; Jason G. M. Morton; Mark D. Smith; Uwe H. F. Bunz","Synthesis and Explosive Decomposition of Organometallic Dehydro[18]annulenes: An Access to Carbon Nanostructures","Journal of the American Chemical Society","2002","124","","13814","13818","10.1021/ja026809o","","","0.71073","MoKα","","0.078","0.0579","","","0.1494","0.1571","","","","","","1.013","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115308","12.342","0.001","15.898","0.001","15.526","0.001","103.9","0.01","106.24","0.01","97","0.01","2780.2","0.4","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H74 N6 O18 -","- C55 H74 N6 O18 -","- C110 H148 N12 O36 -","2","1","","Robert B. Grossman; Kazuyuki Hattori; Sean Parkin; Brian O. Patrick; Melissa A. Varner","The Bicyclic N,N'-Diacylaminal: A New Motif for Molecular Self-Assembly","Journal of the American Chemical Society","2002","124","","13686","13687","10.1021/ja026949y","","","0.71073","MoKα","","0.1197","0.0567","","","0.084","0.0981","","","","","","0.972","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4115309","12.349","0.001","15.721","0.001","15.815","0.001","105.39","0.01","106.01","0.01","97.59","0.01","2774.7","0.4","87","0.5","87","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C54 H71 Cl N6 O18 -","- C54 H71 Cl N6 O18 -","- C108 H142 Cl2 N12 O36 -","2","1","","Robert B. Grossman; Kazuyuki Hattori; Sean Parkin; Brian O. Patrick; Melissa A. Varner","The Bicyclic N,N'-Diacylaminal: A New Motif for Molecular Self-Assembly","Journal of the American Chemical Society","2002","124","","13686","13687","10.1021/ja026949y","","","0.71073","MoKα","","0.0943","0.0564","","","0.094","0.1036","","","","","","1.03","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115310","12.341","0.001","15.818","0.001","15.787","0.001","105.27","0.01","106.12","0.01","97.5","0.01","2786.3","0.4","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H71 F3 N6 O18 -","- C55 H71 F3 N6 O18 -","- C110 H142 F6 N12 O36 -","2","1","","Robert B. Grossman; Kazuyuki Hattori; Sean Parkin; Brian O. Patrick; Melissa A. Varner","The Bicyclic N,N'-Diacylaminal: A New Motif for Molecular Self-Assembly","Journal of the American Chemical Society","2002","124","","13686","13687","10.1021/ja026949y","","","0.71073","MoKα","","0.0895","0.0526","","","0.094","0.1042","","","","","","1.028","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4115311","9.631","0.0004","18.905","0.0007","25.17","0.0011","90","","90","","90","","4582.8","0.3","90","0.2","90","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H27 N3 O8 -","- C22 H27 N3 O8 -","- C176 H216 N24 O64 -","8","1","","Robert B. Grossman; Kazuyuki Hattori; Sean Parkin; Brian O. Patrick; Melissa A. Varner","The Bicyclic N,N'-Diacylaminal: A New Motif for Molecular Self-Assembly","Journal of the American Chemical Society","2002","124","","13686","13687","10.1021/ja026949y","","","0.71073","MoKα","","0.107","0.0612","","","0.0887","0.0999","","","","","","1.062","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115312","8.9703","0.0004","9.8733","0.0004","23.6934","0.001","90","","90.215","0.002","90","","2098.43","0.15","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N2 O6 -","- C22 H28 N2 O6 -","- C88 H112 N8 O24 -","4","1","","Robert B. Grossman; Kazuyuki Hattori; Sean Parkin; Brian O. Patrick; Melissa A. Varner","The Bicyclic N,N'-Diacylaminal: A New Motif for Molecular Self-Assembly","Journal of the American Chemical Society","2002","124","","13686","13687","10.1021/ja026949y","","","0.71073","MoKα","","0.1068","0.053","","","0.0887","0.1022","","","","","","0.992","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115313","17.978","0.0005","12.391","0.0006","10.333","0.0008","90","","90","","90","","2301.8","0.2","90","0.2","90","0.2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H26 Cl4 N2 O6 -","- C18 H26 Cl4 N2 O6 -","- C72 H104 Cl16 N8 O24 -","4","1","","Robert B. Grossman; Kazuyuki Hattori; Sean Parkin; Brian O. Patrick; Melissa A. Varner","The Bicyclic N,N'-Diacylaminal: A New Motif for Molecular Self-Assembly","Journal of the American Chemical Society","2002","124","","13686","13687","10.1021/ja026949y","","","0.71073","MoKα","","0.0441","0.0358","","","0.0665","0.0691","","","","","","1.025","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115314","12.251","0.001","10.375","0.001","13.46","0.001","90","","90.01","0.01","90","","1710.8","0.3","145","1","173","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 N2 O6 -","- C17 H24 N2 O6 -","- C68 H96 N8 O24 -","4","1","","Robert B. Grossman; Kazuyuki Hattori; Sean Parkin; Brian O. Patrick; Melissa A. Varner","The Bicyclic N,N'-Diacylaminal: A New Motif for Molecular Self-Assembly","Journal of the American Chemical Society","2002","124","","13686","13687","10.1021/ja026949y","","","0.71073","MoKα","","0.0784","0.0527","","","0.1084","0.118","","","","","","1.036","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115315","5.782","0.0002","5.782","0.0002","14.149","0.0008","90","","90","","120","","409.65","0.03","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 Li O9 Ru2 -","- Ba3 Li O9 Ru2 -","- Ba6 Li2 O18 Ru4 -","2","0.0833333","","Katharine E. Stitzer; Mark D. Smith; William R. Gemmill; Hans-Conrad zur Loye","Novel Mixed-Valent (V/VI) Triple Perovskite Ruthenates: Observation of a Complex Low-Temperature Structural and Magnetic Transition","Journal of the American Chemical Society","2002","124","","13877","13885","10.1021/ja0271781","","","0.71073","MoKα","","0.0368","0.0293","","","0.0673","0.0708","","","","","","1.089","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115316","5.8729","0.0002","5.8729","0.0002","14.4676","0.0007","90","","90","","120","","432.15","0.03","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 Na O9 Ru2 -","- Ba3 Na O9 Ru2 -","- Ba6 Na2 O18 Ru4 -","2","0.0833333","","Katharine E. Stitzer; Mark D. Smith; William R. Gemmill; Hans-Conrad zur Loye","Novel Mixed-Valent (V/VI) Triple Perovskite Ruthenates: Observation of a Complex Low-Temperature Structural and Magnetic Transition","Journal of the American Chemical Society","2002","124","","13877","13885","10.1021/ja0271781","","","0.71073","MoKα","","0.0233","0.0213","","","0.0485","0.0494","","","","","","1.138","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115317","11.7282","0.0008","20.3541","0.0013","14.4856","0.001","90","","90","","90","","3458","0.4","173","2","173","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ba3 Na O9 Ru2 -","- Ba3 Na O9 Ru2 -","- Ba48 Na16 O144 Ru32 -","16","1","","Katharine E. Stitzer; Mark D. Smith; William R. Gemmill; Hans-Conrad zur Loye","Novel Mixed-Valent (V/VI) Triple Perovskite Ruthenates: Observation of a Complex Low-Temperature Structural and Magnetic Transition","Journal of the American Chemical Society","2002","124","","13877","13885","10.1021/ja0271781","","","0.71073","MoKα","","0.0377","0.0331","","","0.0846","0.0869","","","","","","1.092","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115318","9.415","0","9.415","0","20.513","0.001","90","","90","","90","","1818.32","0.09","273.1","","","","","","","","","","","3","P 41","P 4w","76","","","","- C19 H30 O4 -","- C19 H30 O4 -","- C76 H120 O16 -","4","1","","Paul A. Wender; Jeremy L. Baryza; Chad E. Bennett; F. Christopher Bi; Stacey E. Brenner; Michael O. Clarke; Joshua C. Horan; Cindy Kan; Emmanuel Lacôte; Blaise Lippa; Peter G. Nell; Tim M. Turner","The Practical Synthesis of a Novel and Highly Potent Analogue of Bryostatin","Journal of the American Chemical Society","2002","124","","13648","13649","10.1021/ja027509+","","","0.7107","MoKα","","","0.034","","","","0.078","","","","","","0.823","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115319","8.6258","0.0009","10.158","0.001","20.659","0.002","90","","90","","90","","1810.2","0.3","273.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O4 -","- C19 H30 O4 -","- C76 H120 O16 -","4","1","","Paul A. Wender; Jeremy L. Baryza; Chad E. Bennett; F. Christopher Bi; Stacey E. Brenner; Michael O. Clarke; Joshua C. Horan; Cindy Kan; Emmanuel Lacôte; Blaise Lippa; Peter G. Nell; Tim M. Turner","The Practical Synthesis of a Novel and Highly Potent Analogue of Bryostatin","Journal of the American Chemical Society","2002","124","","13648","13649","10.1021/ja027509+","","","0.7107","MoKα","","","0.036","","","","0.066","","","","","","0.863","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115320","9.7777","0.0011","10.6494","0.0012","14.6628","0.0017","92.226","0.002","95.533","0.002","111.283","0.002","1411.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H56 Cl2 Cr Fe6 N6 -","- C67 H56 Cl2 Cr Fe6 N6 -","- C67 H56 Cl2 Cr Fe6 N6 -","1","0.5","","Mikhail V. Barybin; Thomas C. Holovics; Stephan F. Deplazes; Gerald H. Lushington; Douglas R. Powell; Masaharu Toriyama","First Homoleptic Complexes of Isocyanoferrocene","Journal of the American Chemical Society","2002","124","","13668","13669","10.1021/ja028271s","","","0.71073","MoKα","","0.0458","0.0353","","","0.0833","0.0884","","","","","","1.023","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4115321","8.631","0.008","17.489","0.016","16.349","0.014","90","","92.228","0.018","90","","2466","4","243","2","243","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Mo N P3 -","- C22 H36 Mo N P3 -","- C88 H144 Mo4 N4 P12 -","4","1","","Guang Zhu; Joseph M. Tanski; David G. Churchill; Kevin E. Janak; Gerard Parkin","The Reactivity of Mo(PMe3)6 towards Heterocyclic Nitrogen Compounds: Transformations Relevant to Hydrodenitrogenation","Journal of the American Chemical Society","2002","124","","13658","13659","10.1021/ja028512w","","","0.71073","MoKα","","0.236","0.0849","","","0.157","0.1895","","","","","","1.026","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115322","52.243","0.004","13.0264","0.0009","18.3017","0.0013","90","","100.512","0.001","90","","12246","1.5","243","2","243","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H36 Mo N P3 -","- C21 H35.8 Mo N P3 -","- C420 H716 Mo20 N20 P60 -","20","5","","Guang Zhu; Joseph M. Tanski; David G. Churchill; Kevin E. Janak; Gerard Parkin","The Reactivity of Mo(PMe3)6 towards Heterocyclic Nitrogen Compounds: Transformations Relevant to Hydrodenitrogenation","Journal of the American Chemical Society","2002","124","","13658","13659","10.1021/ja028512w","","","0.71073","MoKα","","0.218","0.06","","","0.0676","0.0924","","","","","","0.874","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115323","14.1007","0.0007","28.0482","0.0013","10.9671","0.0005","90","","90","","90","","4337.5","0.4","243","2","243","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H30 Mo N P4 -","- C17 H34 Mo N P3 -","- C136 H272 Mo8 N8 P24 -","8","1","","Guang Zhu; Joseph M. Tanski; David G. Churchill; Kevin E. Janak; Gerard Parkin","The Reactivity of Mo(PMe3)6 towards Heterocyclic Nitrogen Compounds: Transformations Relevant to Hydrodenitrogenation","Journal of the American Chemical Society","2002","124","","13658","13659","10.1021/ja028512w","","","0.71073","MoKα","","0.1006","0.0522","","","0.1561","0.1744","","","","","","1.075","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115324","14.891","0.002","18.871","0.003","16.272","0.003","90","","104.604","0.003","90","","4424.8","1.2","243","2","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 Mo N P3 -","- C18 H34 Mo N P3 -","- C144 H272 Mo8 N8 P24 -","8","2","","Guang Zhu; Joseph M. Tanski; David G. Churchill; Kevin E. Janak; Gerard Parkin","The Reactivity of Mo(PMe3)6 towards Heterocyclic Nitrogen Compounds: Transformations Relevant to Hydrodenitrogenation","Journal of the American Chemical Society","2002","124","","13658","13659","10.1021/ja028512w","","","0.71073","MoKα","","0.0664","0.0429","","","0.1072","0.1213","","","","","","1.034","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115325","9.1319","0.0008","14.9526","0.0013","16.5873","0.0014","90","","105.074","0.002","90","","2187","0.3","243","2","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 Mo N P3 -","- C18 H34 Mo N P3 -","- C72 H136 Mo4 N4 P12 -","4","1","","Guang Zhu; Joseph M. Tanski; David G. Churchill; Kevin E. Janak; Gerard Parkin","The Reactivity of Mo(PMe3)6 towards Heterocyclic Nitrogen Compounds: Transformations Relevant to Hydrodenitrogenation","Journal of the American Chemical Society","2002","124","","13658","13659","10.1021/ja028512w","","","0.71073","MoKα","","0.0344","0.0244","","","0.0564","0.059","","","","","","1.028","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115326","15.8105","0.0019","31.466","0.004","10.2786","0.0012","90","","90","","90","","5113.5","1.1","243","2","243","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H41 Mo N P4 -","- C17 H41 Mo N P4 -","- C136 H328 Mo8 N8 P32 -","8","1","","Guang Zhu; Joseph M. Tanski; David G. Churchill; Kevin E. Janak; Gerard Parkin","The Reactivity of Mo(PMe3)6 towards Heterocyclic Nitrogen Compounds: Transformations Relevant to Hydrodenitrogenation","Journal of the American Chemical Society","2002","124","","13658","13659","10.1021/ja028512w","","","0.71073","MoKα","","0.071","0.0415","","","0.1329","0.1529","","","","","","1.004","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4115327","12.592","0.0004","5.616","0.0002","17.032","0.0006","90","","117.165","0.0013","90","","1071.59","0.06","130","2","130","2","","","","","","","","3","P 1 c 1","P -2yc","7","DPAENE-ligand","DPAENE-ligand","","- C26 H22 As2 -","- C26 H22 As2 -","- C52 H44 As4 -","2","1","","Brenden Carlsen; Gregory D. Phelan; Werner Kaminsky; Larry R. Dalton; Xuezhong Jiang; Sen Liu; Alex K-Y. Jen","Divalent Osmium Complexes: Synthesis, Characterization, Strong Red Phosphorescence, and Electrophosphorescence","Journal of the American Chemical Society","2002","124","","14162","14172","10.1021/ja0176705","","","0.71073","MoKα","","0.0431","0.0376","","","0.0851","0.0872","","","","","","1.069","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115328","18.329","0.005","17.24","0.01","22.048","0.009","90","","99.055","0.011","90","","6880","5","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Complex3","Complex3","","- C84 H70 As2 N4 O7 Os S2 -","- C84 H70 As2 N4 O7 Os S2 -","- C336 H280 As8 N16 O28 Os4 S8 -","4","1","","Brenden Carlsen; Gregory D. Phelan; Werner Kaminsky; Larry R. Dalton; Xuezhong Jiang; Sen Liu; Alex K-Y. Jen","Divalent Osmium Complexes: Synthesis, Characterization, Strong Red Phosphorescence, and Electrophosphorescence","Journal of the American Chemical Society","2002","124","","14162","14172","10.1021/ja0176705","","","0.71073","MoKα","","0.178","0.0667","","","0.0661","0.084","","","","","","0.896","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115329","14.515","0.0002","26.071","0.0003","11.148","0.0007","90","","90","","90","","4218.6","0.3","130","2","130","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","Comple12","Comple12","","- C45 H33 As Br2 Cl3 N2 O3 Os0.5 S -","- C45 H33 As Br2 Cl3 N2 O3 Os0.5 S -","- C180 H132 As4 Br8 Cl12 N8 O12 Os2 S4 -","4","1","","Brenden Carlsen; Gregory D. Phelan; Werner Kaminsky; Larry R. Dalton; Xuezhong Jiang; Sen Liu; Alex K-Y. Jen","Divalent Osmium Complexes: Synthesis, Characterization, Strong Red Phosphorescence, and Electrophosphorescence","Journal of the American Chemical Society","2002","124","","14162","14172","10.1021/ja0176705","","","0.71073","MoKα","","0.0853","0.0554","","","0.1171","0.1276","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115330","10.562","0.001","12.545","0.001","15.19","0.001","95.85","0.01","91.99","0.02","97.57","0.01","1982.4","0.3","125","","","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H30 Co Fe N O8 P2 -","- C44 H30 Co Fe N O8 P2 -","- C88 H60 Co2 Fe2 N2 O16 P4 -","2","1","","Piero Macchi; Luigi Garlaschelli; Angelo Sironi","Electron Density of Semi-Bridging Carbonyls. Metamorphosis of CO Ligands Observed via Experimental and Theoretical Investigations on [FeCo(CO)8]-","Journal of the American Chemical Society","2002","124","","14173","14184","10.1021/ja026186e","","","0.71073","MoKα","","","0.0275","","","0.0198","","","","","1.27","1.27","","","","","has coordinates","288068","2023-12-06","11:38:59",""
"4115331","10.89","0.007","20.998","0.013","11.754","0.008","90","0.05","90","0.05","90","0.05","2688","3","278","2","278","2","","","","","","","","7","C m c a","-C 2ac 2","64","NiN33.6D2O","bis(hydrotris(1,2,4-triazolyl)borato)nickel(II)- hexakis(deuterium oxide)","","- C12 H14 B2 D12 N18 Ni O6 -","- C12 H14 B2 D12 N18 Ni O6 -","- C48 H56 B8 D48 N72 Ni4 O24 -","4","","","Christoph Janiak; Tobias G. Scharmann; Sax A. Mason","Two-Dimensional Water and Ice Layers: Neutron Diffraction Studies at 278, 263, and 20 K","Journal of the American Chemical Society","2002","124","","14010","14011","10.1021/ja0274608","","neutron","1.3143","neutrons","","0.0766","0.0666","","","0.1534","0.1598","","","","","","1.055","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4115332","10.8517","0.0017","20.919","0.003","11.6959","0.0013","89.995","0.008","90","0.01","89.998","0.008","2655","0.6","263","2","263","2","","","","","","","","7","P m n b","-P 2bc 2a","62","NiN33.6D2O","bis(hydrotris(1,2,4-triazolyl)borato)nickel(II)- hexakis(deuterium oxide)","","- C12 H14 B2 D12 N18 Ni O6 -","- C12 H14 B2 D12 N18 Ni O6 -","- C48 H56 B8 D48 N72 Ni4 O24 -","4","0.5","","Christoph Janiak; Tobias G. Scharmann; Sax A. Mason","Two-Dimensional Water and Ice Layers: Neutron Diffraction Studies at 278, 263, and 20 K","Journal of the American Chemical Society","2002","124","","14010","14011","10.1021/ja0274608","","neutron","1.3143","neutrons","","0.0659","0.0503","","","0.1132","0.1194","","","","","","1.278","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115333","10.7548","0.001","20.7363","0.0015","11.587","0.002","90","0.006","90","0.006","90","0.006","2584.1","0.5","20","2","20","2","","","","","","","Chem. Ber. 1994, 127, 1379","7","P 21 n b","P -2bc 2a","33","NiN33.6D2O","bis(hydrotris(1,2,4-triazolyl)borato)nickel(II)- hexakis(deuterium oxide)","","- C12 H14 B2 D12 N18 Ni O6 -","- C12 H14 B2 D12 N18 Ni O6 -","- C48 H56 B8 D48 N72 Ni4 O24 -","4","1","","Christoph Janiak; Tobias G. Scharmann; Sax A. Mason","Two-Dimensional Water and Ice Layers: Neutron Diffraction Studies at 278, 263, and 20 K","Journal of the American Chemical Society","2002","124","","14010","14011","10.1021/ja0274608","","neutron","1.3143","neutrons","","0.0289","0.0285","","0.0669","0.0667","","","","1.155","","","","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115334","10.772","0.002","29.335","0.003","11.17","0.002","90","","106.53","0.01","90","","3383.8","1","296.2","","296.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 F6 N2 O6 P2 S2 -","- C26 H34 F6 N2 O6 P2 S2 -","- C104 H136 F24 N8 O24 P8 S8 -","4","1","","Neil Burford; T. Stanley Cameron; Korey D. Conroy; Bobby Ellis; Michael Lumsden; Charles L. B. Macdonald; Robert McDonald; Andrew D. Phillips; Paul J. Ragogna; Robert W. Schurko; Denise Walsh; Roderick E. Wasylishen","Transformations between Monomeric, Dimeric, and Trimeric Phosphazanes: Oligomerizing NP Analogues of Olefins","Journal of the American Chemical Society","2002","124","","14012","14013","10.1021/ja027946o","","","1.5418","CuKα","","0.0477","0.048","","0.05","","0.05","","","1.418","","","1.42","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115335","11.358","0.002","16.4","0.002","12.006","0.001","90","","90.56","0.01","90","","2236.3","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H29 F3 N O3 P S -","- C19 H29 F3 N O3 P S -","- C76 H116 F12 N4 O12 P4 S4 -","4","1","","Neil Burford; T. Stanley Cameron; Korey D. Conroy; Bobby Ellis; Michael Lumsden; Charles L. B. Macdonald; Robert McDonald; Andrew D. Phillips; Paul J. Ragogna; Robert W. Schurko; Denise Walsh; Roderick E. Wasylishen","Transformations between Monomeric, Dimeric, and Trimeric Phosphazanes: Oligomerizing NP Analogues of Olefins","Journal of the American Chemical Society","2002","124","","14012","14013","10.1021/ja027946o","","","1.54178","CuKα","","0.2624","0.0579","","0.242","0.1596","","","","1.037","1.298","1.298","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115336","10.4687","0.0008","13.9849","0.001","16.4674","0.0012","87.2367","0.0012","81.3528","0.0012","78.8655","0.0012","2338.2","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H53 Cl8 Ga N3 P3 -","- C37 H53 Cl8 Ga N3 P3 -","- C74 H106 Cl16 Ga2 N6 P6 -","2","1","","Neil Burford; T. Stanley Cameron; Korey D. Conroy; Bobby Ellis; Michael Lumsden; Charles L. B. Macdonald; Robert McDonald; Andrew D. Phillips; Paul J. Ragogna; Robert W. Schurko; Denise Walsh; Roderick E. Wasylishen","Transformations between Monomeric, Dimeric, and Trimeric Phosphazanes: Oligomerizing NP Analogues of Olefins","Journal of the American Chemical Society","2002","124","","14012","14013","10.1021/ja027946o","","","0.71073","MoKα","","0.0531","0.0375","","","0.0914","0.0981","","","","","","1.022","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115337","6.0001","0.0002","12.2626","0.0005","12.4228","0.0002","74.897","0.003","77.983","0.002","79.092","0.002","854.26","0.05","143.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H28 N4 -","- C17 H28 N4 -","- C34 H56 N8 -","2","1","","Kian L. Tan; Robert G. Bergman; Jonathan A. Ellman","Intermolecular Coupling of Isomerizable Alkenes to Heterocycles via Rhodium-Catalyzed C-H Bond Activation","Journal of the American Chemical Society","2002","124","","13964","13965","10.1021/ja0281129","","","0.7107","MoKα","","","0.0582","","","","0.0702","","","","","","1.384","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115338","18.8242","0.0009","19.6196","0.0009","19.2891","0.0009","90","","100.05","0.001","90","","7014.6","0.6","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C64 H67 B2 Cl0 Cr F24 N8 O -","- C64 H67 B2 Cr F24 N8 O -","- C256 H268 B8 Cr4 F96 N32 O4 -","4","1","","Kun Qin; Christopher D. Incarvito; Arnold L. Rheingold; Klaus H. Theopold","Hydrogen Atom Abstraction by a Chromium(IV) Oxo Complex Derived from O2","Journal of the American Chemical Society","2002","124","","14008","14009","10.1021/ja028382r","","","0.71073","MoKα","","0.0889","0.0609","","","0.1518","0.1689","","","","","","1.033","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115339","19.115","0.004","19.652","0.004","19.334","0.005","90","","100.058","0.005","90","","7151","3","218","2","218","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C64.5 H67 B2 Cl Cr F24 N8 O -","- C64 H66 B2 Cr F24 N8 O -","- C256 H264 B8 Cr4 F96 N32 O4 -","4","1","","Kun Qin; Christopher D. Incarvito; Arnold L. Rheingold; Klaus H. Theopold","Hydrogen Atom Abstraction by a Chromium(IV) Oxo Complex Derived from O2","Journal of the American Chemical Society","2002","124","","14008","14009","10.1021/ja028382r","","","0.71073","MoKα","","0.1178","0.0777","","","0.1832","0.2032","","","","","","1.083","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115340","18.86","0.08","18.55","0.03","6.244","0.009","90","","90","","90","","2184","10","293.1","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C14 H16 F6 N2 O3 -","- C14 H15 F6 N2 O3 -","- C56 H60 F24 N8 O12 -","4","1","","Yasuhiro Ishida; Takuzo Aida","Homochiral Supramolecular Polymerization of an ""S""-Shaped Chiral Monomer: Translation of Optical Purity into Molecular Weight Distribution","Journal of the American Chemical Society","2002","124","","14017","14019","10.1021/ja028403h","","","0.7107","MoKα","","","0.136","","","","0.175","","","","","","1.299","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115341","6.235","0.002","11.743","0.005","14.21","0.007","105.67","0.02","95.622","0.007","96.003","0.007","987.6","0.7","123.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 F12 N4 O12 -","- C30 H30 F12 N4 O12 -","- C30 H30 F12 N4 O12 -","1","0.5","","Yasuhiro Ishida; Takuzo Aida","Homochiral Supramolecular Polymerization of an ""S""-Shaped Chiral Monomer: Translation of Optical Purity into Molecular Weight Distribution","Journal of the American Chemical Society","2002","124","","14017","14019","10.1021/ja028403h","","","0.7107","MoKα","","","0.078","","","","0.2455","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115342","14.67","0.01","7.774","0.005","12.4","0.01","90","","90","","90","","1414.2","1.7","","","20","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H16 Mn N8 Ni O8 -","- C4 H16 Mn N8 Ni O8 -","- C16 H64 Mn4 N32 Ni4 O32 -","4","0.5","","Béatrice Gillon; Corine Mathonière; Eliseo Ruiz; Santiago Alvarez; Alain Cousson; Thekkel M. Rajendiran; Olivier Kahn","Spin Densities in a Ferromagnetic Bimetallic Chain Compound: Polarized Neutron Diffraction and DFT Calculations","Journal of the American Chemical Society","2002","124","","14433","14441","10.1021/ja020188h","","neutron","0.8308","Neutron","","","0.055651","","","0.042638","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115343","13.63","0.002","13.612","0.003","16.663","0.006","90","","98.05","0.02","90","","3061","1.4","295","","295","","","","","","","","?","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Mo2 O4 P -","- C32 H38 Mo2 O4 P -","- C128 H152 Mo8 O16 P4 -","4","1","","M. Esther García; Víctor Riera; Miguel A. Ruiz; David Sáez; Jacqueline Vaissermann; John C. Jeffery","High Yield Synthesis and Reactivity of a Phosphinidene Bridged Dimolybdenum Complex","Journal of the American Chemical Society","2002","124","","14304","14305","10.1021/ja021072o","","","0.71069","MoKα","","","0.0599","","","0.0749","","","","","0.9867","0.9867","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4115344","14.673","0.005","14.438","0.006","16.653","0.016","90","","113.13","0.05","90","","3244","4","295","","295","","","","","","","","?","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H39 I2 Mo2 O2 P -","- C30 H30 I2 Mo2 O2 P -","- C120 H120 I8 Mo8 O8 P4 -","4","0.5","","M. Esther García; Víctor Riera; Miguel A. Ruiz; David Sáez; Jacqueline Vaissermann; John C. Jeffery","High Yield Synthesis and Reactivity of a Phosphinidene Bridged Dimolybdenum Complex","Journal of the American Chemical Society","2002","124","","14304","14305","10.1021/ja021072o","","","0.71069","MoKα","","","0.0421","","","0.0516","","","","","1.1287","1.1287","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115345","10.107","0.0012","24.32","0.003","16.839","0.002","90","","98.244","0.017","90","","4096.3","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H47 Mo2 O4 P -","- C44 H47 Mo2 O4 P -","- C176 H188 Mo8 O16 P4 -","4","1","","M. Esther García; Víctor Riera; Miguel A. Ruiz; David Sáez; Jacqueline Vaissermann; John C. Jeffery","High Yield Synthesis and Reactivity of a Phosphinidene Bridged Dimolybdenum Complex","Journal of the American Chemical Society","2002","124","","14304","14305","10.1021/ja021072o","","","0.71073","MoKα","","0.0482","0.0368","","","0.0952","0.0981","","","","","","0.955","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115346","22.8416","0.0017","9.1166","0.0006","17.0423","0.0012","90","","108.604","0.001","90","","3363.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","LNiCl","2,2,6,6-tetramethyl-3,5-bis(2,6-diisopropylphenylimido)heptyl nickel(II) chloride","","- C35 H53 Cl N2 Ni -","- C35 H53 Cl N2 Ni -","- C140 H212 Cl4 N8 Ni4 -","4","0.5","","Patrick L. Holland; Thomas R. Cundari; Lanyn L. Perez; Nathan A. Eckert; Rene J. Lachicotte","Electronically Unsaturated Three-Coordinate Chloride and Methyl Complexes of Iron, Cobalt, and Nickel","Journal of the American Chemical Society","2002","124","","14416","14424","10.1021/ja025583m","","","0.71073","MoKα","","0.0668","0.0631","","","0.1825","0.1852","","","","","","1.038","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115347","10.0886","0.0006","12.4995","0.0007","18.3218","0.001","76.743","0.001","80.254","0.001","84.81","0.001","2213.2","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","LCoCl2Li(ether)2","2,2,6,6-tetramethyl-3,5-bis(2,6-diisopropylphenylimido)heptyl cobalt(II) bis(mu-chloro)lithium dietherate","","- C43 H71 Cl2 Co Li N2 O2 -","- C43 H70.366 Cl2 Co Li N2 O2 -","- C86 H140.732 Cl4 Co2 Li2 N4 O4 -","2","1","","Patrick L. Holland; Thomas R. Cundari; Lanyn L. Perez; Nathan A. Eckert; Rene J. Lachicotte","Electronically Unsaturated Three-Coordinate Chloride and Methyl Complexes of Iron, Cobalt, and Nickel","Journal of the American Chemical Society","2002","124","","14416","14424","10.1021/ja025583m","","","0.71073","mokα","","0.0642","0.0475","","","0.1138","0.1226","","","","","","1.063","","","","has coordinates,has disorder","134499","2020-10-21","18:00:00",""
"4115348","16.9464","0.0009","9.2668","0.0005","22.8151","0.0012","90","","107.067","0.001","90","","3425.1","0.3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","LCoCl","2,2,6,6-tetramethyl-3,5-bis(2,6-diisopropylphenylimido)heptyl cobalt(II) chloride","","- C35 H53 Cl Co N2 -","- C35 H53 Cl Co N2 -","- C140 H212 Cl4 Co4 N8 -","4","0.5","","Patrick L. Holland; Thomas R. Cundari; Lanyn L. Perez; Nathan A. Eckert; Rene J. Lachicotte","Electronically Unsaturated Three-Coordinate Chloride and Methyl Complexes of Iron, Cobalt, and Nickel","Journal of the American Chemical Society","2002","124","","14416","14424","10.1021/ja025583m","","","0.71073","MoKα","","0.1041","0.0776","","","0.1214","0.1283","","","","","","1.268","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115349","16.8841","0.0012","9.3872","0.0007","22.7802","0.0016","90","","107.219","0.001","90","","3448.7","0.4","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","LCoCH3","2,2,6,6-tetramethyl-3,5-bis(2,6-diisopropylphenylimido)heptyl cobalt(II) methyl","","- C36 H56 Co N2 -","- C36 H56 Co N2 -","- C144 H224 Co4 N8 -","4","0.5","","Patrick L. Holland; Thomas R. Cundari; Lanyn L. Perez; Nathan A. Eckert; Rene J. Lachicotte","Electronically Unsaturated Three-Coordinate Chloride and Methyl Complexes of Iron, Cobalt, and Nickel","Journal of the American Chemical Society","2002","124","","14416","14424","10.1021/ja025583m","","","0.71073","MoKα","","0.0449","0.0398","","","0.0959","0.0981","","","","","","1.119","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115350","9.562","0.0007","17.7515","0.0014","21.7048","0.0017","90","","95.543","0.002","90","","3666.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LNiCl","2,2,6,6-tetramethyl-3,5-bis(2,6-diisopropylphenylimido)heptyl nickel(I) tetrahydrofuran","","- C39 H61 N2 Ni O -","- C39 H61 N2 Ni O -","- C156 H244 N8 Ni4 O4 -","4","1","","Patrick L. Holland; Thomas R. Cundari; Lanyn L. Perez; Nathan A. Eckert; Rene J. Lachicotte","Electronically Unsaturated Three-Coordinate Chloride and Methyl Complexes of Iron, Cobalt, and Nickel","Journal of the American Chemical Society","2002","124","","14416","14424","10.1021/ja025583m","","","0.71073","MoKα","","0.0486","0.0394","","","0.1064","0.1107","","","","","","1.009","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115351","32.758","0.003","10.7326","0.0009","20.0076","0.0016","90","","121.888","0.001","90","","5972.7","0.9","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C98 H143 Cl3 Nd2 O50 P6 -","- C98 H114 Cl2.5 Nd2 O46 P6 -","- C196 H228 Cl5 Nd4 O92 P12 -","2","0.5","","Helen L. Ngo; Wenbin Lin","Chiral Crown Ether Pillared Lamellar Lanthanide Phosphonates","Journal of the American Chemical Society","2002","124","","14298","14299","10.1021/ja027892i","","","0.71073","MoKα","","0.1581","0.0841","","","0.2081","0.2525","","","","","","1.032","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115352","15.4332","0.0008","15.4332","0.0008","44.421","0.005","90","","90","","120","","9162.9","1.2","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C51 H75 B2 Fe3 Mo N6 P3 S4 -","- C51.02 H75.02 B2 Fe3 Mo N6 P3 S4 -","- C306.12 H450.12 B12 Fe18 Mo6 N36 P18 S24 -","6","0.333333","","Yugen Zhang; Jing-Lin Zuo; Hong-Cai Zhou; R. H. Holm","Rearrangement of Symmetrical Dicubane Clusters into Topological Analogues of the P Cluster of Nitrogenase: Nature's Choice?","Journal of the American Chemical Society","2002","124","","14292","14293","10.1021/ja0279702","","","0.71073","MoKα","","0.0796","0.0657","","","0.19","0.206","","","","","","1.094","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4115353","11.2863","0.0009","25.2819","0.0018","12.832","0.0009","90","","112.743","0.001","90","","3376.8","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H80 B2 Fe6 Mo2 N12 P4 S8 -","- C42 H80 B2 Fe6 Mo2 N12 P4 S8 -","- C84 H160 B4 Fe12 Mo4 N24 P8 S16 -","2","0.5","","Yugen Zhang; Jing-Lin Zuo; Hong-Cai Zhou; R. H. Holm","Rearrangement of Symmetrical Dicubane Clusters into Topological Analogues of the P Cluster of Nitrogenase: Nature's Choice?","Journal of the American Chemical Society","2002","124","","14292","14293","10.1021/ja0279702","","","0.71073","MoKα","","0.0752","0.0496","","","0.1223","0.1403","","","","","","1.063","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4115354","18.3853","0.0011","17.5344","0.001","29.4244","0.0016","90","","96.619","0.001","90","","9422.5","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H109 B2 Fe6 Mo2 N24 S11 -","- C60 H109 B2 Fe6 Mo2 N24 S11 -","- C240 H436 B8 Fe24 Mo8 N96 S44 -","4","1","","Yugen Zhang; Jing-Lin Zuo; Hong-Cai Zhou; R. H. Holm","Rearrangement of Symmetrical Dicubane Clusters into Topological Analogues of the P Cluster of Nitrogenase: Nature's Choice?","Journal of the American Chemical Society","2002","124","","14292","14293","10.1021/ja0279702","","","0.71073","MoKα","","0.0933","0.0661","","","0.1512","0.1659","","","","","","1.14","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4115355","22.981","0.007","16.858","0.005","24.753","0.007","90","","96.441","0.005","90","","9529","5","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","tetrakis(tetraethylammonium)bis(trispyrazoloylborate) -bis(hydrogensulfido)-mu6-sulfido-hexakis-(mu3)-sulfido -bis(mu2)-sulfido-hexa-iron-di-vanadium acetonitrile solvate","","- C62 H120 B2 Fe6 N22 S11 V2 -","- C62 H120 B2 Fe6 N22 S11 V2 -","- C248 H480 B8 Fe24 N88 S44 V8 -","4","0.5","","Yugen Zhang; Jing-Lin Zuo; Hong-Cai Zhou; R. H. Holm","Rearrangement of Symmetrical Dicubane Clusters into Topological Analogues of the P Cluster of Nitrogenase: Nature's Choice?","Journal of the American Chemical Society","2002","124","","14292","14293","10.1021/ja0279702","","","0.71073","MoKα","","0.0878","0.0743","","","0.1601","0.1664","","","","","","1.246","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4115356","9.576","0.001","11.239","0.002","22.457","0.002","90","","90.77","0.01","90","","2416.7","0.5","301.2","","301.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Au P -","- C26 H38 Au P -","- C104 H152 Au4 P4 -","4","1","","Hsiu-Yi Chao; Wei Lu; Yanqin Li; Michael C. W. Chan; Chi-Ming Che; Kung-Kai Cheung; Nianyong Zhu","Organic Triplet Emissions of Arylacetylide Moieties Harnessed through Coordination to [Au(PCy3)]+. Effect of Molecular Structure upon Photoluminescent Properties","Journal of the American Chemical Society","2002","124","","14696","14706","10.1021/ja0209417","","","0.7107","MoKalpha","","","0.0205","","","0.0243","","","","","1.116","1.116","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115357","9.579","0.001","11.34","0.001","22.543","0.002","90","","91.59","","90","","2447.8","0.4","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","gold-complex","","","- C26 H37 Au F P -","- C26 H37 Au F P -","- C104 H148 Au4 F4 P4 -","4","1","","Hsiu-Yi Chao; Wei Lu; Yanqin Li; Michael C. W. Chan; Chi-Ming Che; Kung-Kai Cheung; Nianyong Zhu","Organic Triplet Emissions of Arylacetylide Moieties Harnessed through Coordination to [Au(PCy3)]+. Effect of Molecular Structure upon Photoluminescent Properties","Journal of the American Chemical Society","2002","124","","14696","14706","10.1021/ja0209417","","","0.71073","MoKα","","0.0437","0.0356","","","0.0957","0.109","","","","","","1.15","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115358","12.062","0.002","16.782","0.003","12.667","0.002","90","","97.83","0.02","90","","2540.2","0.7","301.2","","301.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 Au P -","- C27 H40 Au P -","- C108 H160 Au4 P4 -","4","1","","Hsiu-Yi Chao; Wei Lu; Yanqin Li; Michael C. W. Chan; Chi-Ming Che; Kung-Kai Cheung; Nianyong Zhu","Organic Triplet Emissions of Arylacetylide Moieties Harnessed through Coordination to [Au(PCy3)]+. Effect of Molecular Structure upon Photoluminescent Properties","Journal of the American Chemical Society","2002","124","","14696","14706","10.1021/ja0209417","","","0.7107","MoKalpha","","","0.0336","","","0.0493","","","","","1.231","1.231","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115359","12.321","0.004","16.755","0.002","12.731","0.002","90","","93.47","0.02","90","","2623.3","1","301.2","","301.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Au P -","- C28 H38 Au P -","- C112 H152 Au4 P4 -","4","1","","Hsiu-Yi Chao; Wei Lu; Yanqin Li; Michael C. W. Chan; Chi-Ming Che; Kung-Kai Cheung; Nianyong Zhu","Organic Triplet Emissions of Arylacetylide Moieties Harnessed through Coordination to [Au(PCy3)]+. Effect of Molecular Structure upon Photoluminescent Properties","Journal of the American Chemical Society","2002","124","","14696","14706","10.1021/ja0209417","","","0.7107","MoKalpha","","","0.0233","","","0.0272","","","","","1.178","1.178","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115360","13.273","0.001","17.234","0.002","25.08","0.002","90","","94.68","0.01","90","","5717.8","0.9","301.2","","301.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H42 Au P -","- C32 H42 Au P -","- C256 H336 Au8 P8 -","8","2","","Hsiu-Yi Chao; Wei Lu; Yanqin Li; Michael C. W. Chan; Chi-Ming Che; Kung-Kai Cheung; Nianyong Zhu","Organic Triplet Emissions of Arylacetylide Moieties Harnessed through Coordination to [Au(PCy3)]+. Effect of Molecular Structure upon Photoluminescent Properties","Journal of the American Chemical Society","2002","124","","14696","14706","10.1021/ja0209417","","","0.7107","MoKalpha","","","0.0283","","","0.0339","","","","","1.093","1.093","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115361","18.663","0.003","19.047","0.003","16.774","0.003","90","","90","","90","","5962.7","1.7","301.2","","301.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H42 Au P -","- C34 H42 Au P -","- C272 H336 Au8 P8 -","8","1","","Hsiu-Yi Chao; Wei Lu; Yanqin Li; Michael C. W. Chan; Chi-Ming Che; Kung-Kai Cheung; Nianyong Zhu","Organic Triplet Emissions of Arylacetylide Moieties Harnessed through Coordination to [Au(PCy3)]+. Effect of Molecular Structure upon Photoluminescent Properties","Journal of the American Chemical Society","2002","124","","14696","14706","10.1021/ja0209417","","","0.7107","MoKalpha","","","0.0297","","","0.0399","","","","","1.63","1.63","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115362","7.785","0.002","16.959","0.003","27.833","0.006","90","","95.44","0.03","90","","3658.1","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 Au P -","- C42 H46 Au P -","- C168 H184 Au4 P4 -","4","1","","Hsiu-Yi Chao; Wei Lu; Yanqin Li; Michael C. W. Chan; Chi-Ming Che; Kung-Kai Cheung; Nianyong Zhu","Organic Triplet Emissions of Arylacetylide Moieties Harnessed through Coordination to [Au(PCy3)]+. Effect of Molecular Structure upon Photoluminescent Properties","Journal of the American Chemical Society","2002","124","","14696","14706","10.1021/ja0209417","","","0.71069","MoKα","","0.0634","0.0375","","","0.0924","0.121","","","","","","0.93","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4115363","9.542","0.002","11.13","0.002","22.448","0.003","90","","91.8","0.02","90","","2382.9","0.7","301.2","","301.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 Au N P -","- C25 H37 Au N P -","- C100 H148 Au4 N4 P4 -","4","1","","Hsiu-Yi Chao; Wei Lu; Yanqin Li; Michael C. W. Chan; Chi-Ming Che; Kung-Kai Cheung; Nianyong Zhu","Organic Triplet Emissions of Arylacetylide Moieties Harnessed through Coordination to [Au(PCy3)]+. Effect of Molecular Structure upon Photoluminescent Properties","Journal of the American Chemical Society","2002","124","","14696","14706","10.1021/ja0209417","","","0.7107","MoKalpha","","","0.0301","","","0.0405","","","","","1.674","1.674","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115364","9.527","0.002","16.889","0.003","13.687","0.002","90","","91.77","0.02","90","","2201.2","0.7","301.2","","301.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H70 Au2 P2 -","- C46 H70 Au2 P2 -","- C92 H140 Au4 P4 -","2","0.5","","Hsiu-Yi Chao; Wei Lu; Yanqin Li; Michael C. W. Chan; Chi-Ming Che; Kung-Kai Cheung; Nianyong Zhu","Organic Triplet Emissions of Arylacetylide Moieties Harnessed through Coordination to [Au(PCy3)]+. Effect of Molecular Structure upon Photoluminescent Properties","Journal of the American Chemical Society","2002","124","","14696","14706","10.1021/ja0209417","","","0.7107","MoKalpha","","","0.0449","","","0.0599","","","","","1.719","1.719","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115365","13.284","0.002","14.46","0.002","15.618","0.003","97.15","0.02","100.99","0.02","115.93","0.02","2574.1","1","301.2","","301.2","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H80 Au2 O2 P2 -","- C53 H74 Au2 O2 P2 -","- C106 H148 Au4 O4 P4 -","2","1","","Hsiu-Yi Chao; Wei Lu; Yanqin Li; Michael C. W. Chan; Chi-Ming Che; Kung-Kai Cheung; Nianyong Zhu","Organic Triplet Emissions of Arylacetylide Moieties Harnessed through Coordination to [Au(PCy3)]+. Effect of Molecular Structure upon Photoluminescent Properties","Journal of the American Chemical Society","2002","124","","14696","14706","10.1021/ja0209417","","","0.7107","MoKalpha","","","0.0467","","","0.0655","","","","","1.625","1.625","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115366","11.8161","0.0002","14.1196","0.0004","22.7184","0.0006","91.812","0.001","103.976","0.001","102.74","0.001","3573.09","0.15","140.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H57 N3 O0.5 P4 Ru -","- C29.15 H57 N3 O0.35 P4 Ru -","- C116.6 H228 N12 O1.4 P16 Ru4 -","4","2","","Andrew W. Holland; Robert G. Bergman","Effects of Phosphine Ligand Chelation on the Reactivity of Monomeric Parent Amido Ruthenium Complexes: Synthesis and Reactivity of Such a Complex Bearing Monodentate Ligands","Journal of the American Chemical Society","2002","124","","14684","14695","10.1021/ja027620f","","","0.7107","MoKα","","","0.0521","","","","0.0634","","","","","","1.613","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115367","9.121","0.007","16.772","0.01","16.949","0.008","90","","90","","90","","2593","3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[(R)-1,2-bis(ethoxycarbonyl)ethyl-d1a](pyridine-d5)- bis(dimethylglyoxymato-d6)cobalt(III)","","- C21 H14 Co D18 N5 O8 -","- C21 H32 Co N5 O8 -","- C84 H128 Co4 N20 O32 -","4","1","","Takashi Ohhara; Susumu Ikeda; Hiroyuki Imura; Hidehiro Uekusa; Yuji Ohashi; Ichiro Tanaka; Nobuo Niimura","Direct Observation of Deuterium Migration in Crystalline-State Reaction by Single Crystal Neutron Diffraction IV. ""Hula-Twist"" Rotation of a Long Alkyl Radical Produced by Photoirradiation","Journal of the American Chemical Society","2002","124","","14736","14740","10.1021/ja027872g","","","0.71073","MoKα","","0.0486","0.0398","","","0.1065","0.1133","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115368","9.133","0.001","16.813","0.001","16.911","0.001","90","","90","","90","","2596.7","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[(R)-1,2-bis(ethoxycarbonyl)ethyl-d1a](pyridine-d5)- bis(dimethylglyoxymato-d6)cobalt(III)","","- C21 H14 Co D18 N5 O8 -","- C20.984 H13.974 Co D18.004 N5 O7.992 -","- C83.936 H55.896 Co4 D72.016 N20 O31.968 -","4","1","","Takashi Ohhara; Susumu Ikeda; Hiroyuki Imura; Hidehiro Uekusa; Yuji Ohashi; Ichiro Tanaka; Nobuo Niimura","Direct Observation of Deuterium Migration in Crystalline-State Reaction by Single Crystal Neutron Diffraction IV. ""Hula-Twist"" Rotation of a Long Alkyl Radical Produced by Photoirradiation","Journal of the American Chemical Society","2002","124","","14736","14740","10.1021/ja027872g","","neutron","1.23","Neutron","","0.1319","0.1256","","","0.3065","0.3098","","","","","","2.754","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4115369","6.415","0.0002","12.041","0.0005","19.022","0.001","90","","108.702","0.0014","90","","1391.74","0.1","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ADG001B","","","- C14 H19 Cl O2 Ti -","- C14 H19 Cl O2 Ti -","- C56 H76 Cl4 O8 Ti4 -","4","1","","Antonio G. DiPasquale; Werner Kaminsky; James M. Mayer","Oxygen-Oxygen Bond Homolysis in a Novel Titanium(IV) Alkylperoxide Complex, Cp2Ti(OOtBu)Cl","Journal of the American Chemical Society","2002","124","","14534","14535","10.1021/ja028500a","","","0.71073","MoKα","","0.0551","0.0393","","","0.1016","0.1083","","","","","","1.047","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115370","12.6893","0.001","11.0908","0.001","16.796","0.005","90","0.02","97.61","0.02","90","0.01","2343","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","stephacidin B","","","- C54 H57 N7 O8 -","- C54 H57 N7 O8 -","- C108 H114 N14 O16 -","2","1","","Jingfang Qian-Cutrone; Stella Huang; Yue-Zhong Shu; Dolatrai Vyas; Craig Fairchild; Ana Menendez; Kimberly Krampitz; Richard Dalterio; Steven E Klohr; Qi Gao","Stephacidin A and B: Two Structurally Novel, Selective Inhibitors of the Testosterone-Dependent Prostate LNCaP Cells","Journal of the American Chemical Society","2002","124","","14556","14557","10.1021/ja028538n","","","1.5418","CuKα","","0.0401","0.0373","","","0.0918","0.0947","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115371","40.805","0.006","40.805","0.006","60.53","0.01","90","","90","","120","","87283","2","93.2","","","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C124 H120 Ag4 N24 O18 S4 -","- C123.25 H105.75 Ag4 N24 O15.75 S3.25 -","- C2958 H2538 Ag96 N576 O378 S78 -","24","1.33333","","Shuichi Hiraoka; Tao Yi; Motoo Shiro; Mitsuhiko Shionoya","Triangular and Tetrahedral Array of Silver(I) Ions by a Novel Disk-Shaped Tridentate Ligand: Dynamic Control of Coordination Equilibrium of the Silver(I) Complexes","Journal of the American Chemical Society","2002","124","","14510","14511","10.1021/ja028659n","","","0.7107","MoKα","","","0.0887","","","","0.128","","","","","","1.118","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115372","18.3194","0.0003","11.6991","0.0002","19.5426","0.0004","90","","115.994","0.001","90","","3764.68","0.12","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H47 Cl N2 P2 Ru -","- C42 H47 Cl N2 P2 Ru -","- C168 H188 Cl4 N8 P8 Ru4 -","4","1","","Kamaluddin Abdur-Rashid; Sean E. Clapham; Alen Hadzovic; Jeremy N. Harvey; Alan J. Lough; Robert H. Morris","Mechanism of the Hydrogenation of Ketones Catalyzed by trans-Dihydrido(diamine)ruthenium(II) Complexes","Journal of the American Chemical Society","2002","124","","15104","15118","10.1021/ja016817p","","","0.71073","MoKα","","0.0737","0.039","","","0.0813","0.0935","","","","","","0.995","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115373","11.109","0.0002","11.976","0.0002","14.251","0.0002","88.465","0.0007","76.124","0.0007","77.973","0.0007","1799.7","0.05","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 N2 P2 Ru -","- C42 H46 N2 P2 Ru -","- C84 H92 N4 P4 Ru2 -","2","1","","Kamaluddin Abdur-Rashid; Sean E. Clapham; Alen Hadzovic; Jeremy N. Harvey; Alan J. Lough; Robert H. Morris","Mechanism of the Hydrogenation of Ketones Catalyzed by trans-Dihydrido(diamine)ruthenium(II) Complexes","Journal of the American Chemical Society","2002","124","","15104","15118","10.1021/ja016817p","","","0.7107","MoKα","","0.031","0.0268","","","0.0645","0.0671","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115374","10.9055","0.0002","17.1298","0.0003","21.0805","0.0003","84.145","0.001","89.997","0.001","81.012","0.001","3868.88","0.11","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H48 N2 O2 P2 Ru -","- C43 H48 N2 O2 P2 Ru -","- C172 H192 N8 O8 P8 Ru4 -","4","2","","Kamaluddin Abdur-Rashid; Sean E. Clapham; Alen Hadzovic; Jeremy N. Harvey; Alan J. Lough; Robert H. Morris","Mechanism of the Hydrogenation of Ketones Catalyzed by trans-Dihydrido(diamine)ruthenium(II) Complexes","Journal of the American Chemical Society","2002","124","","15104","15118","10.1021/ja016817p","","","0.71073","MoKα","","0.122","0.082","","","0.1858","0.2064","","","","","","1.082","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4115375","10.6872","0.0003","17.5724","0.0006","27.1237","0.0012","90","","90","","90","","5093.8","0.3","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H46 O P2 Ru -","- C60 H45 O P2 Ru -","- C240 H180 O4 P8 Ru4 -","4","1","","Kamaluddin Abdur-Rashid; Sean E. Clapham; Alen Hadzovic; Jeremy N. Harvey; Alan J. Lough; Robert H. Morris","Mechanism of the Hydrogenation of Ketones Catalyzed by trans-Dihydrido(diamine)ruthenium(II) Complexes","Journal of the American Chemical Society","2002","124","","15104","15118","10.1021/ja016817p","","","0.71073","MoKα","","0.064","0.048","","","0.1079","0.1141","","","","","","1.03","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115376","10.918","0.0009","18.917","0.0011","25.048","0.0018","90","","94.397","0.004","90","","5158.1","0.6","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-Bis(di-tert-butyl(methyl)silyl]-2,2-bis(2,4,6-triisopropylphenyl)- 1-sila-2-stannaethene","","- C48 H88 Si3 Sn -","- C48 H88 Si3 Sn -","- C192 H352 Si12 Sn4 -","4","1","","Akira Sekiguchi; Rika Izumi; Vladimir Ya. Lee; Masaaki Ichinohe","The First Silastannene >SiSn<: A New Doubly-Bonded System of Heavier Group 14 Elements","Journal of the American Chemical Society","2002","124","","14822","14823","10.1021/ja021077l","","","0.7107","MoKα","","0.114","0.068","","","0.1397","0.163","","","","","","1.024","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115377","10.9718","0.0009","16.101","0.002","18.681","0.001","90","","91.601","0.004","90","","3298.8","0.5","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 F3 O3 P2 Pd S -","- C32 H33 F3 O3 P2 Pd S -","- C128 H132 F12 O12 P8 Pd4 S4 -","4","1","","Moniek Tromp; Jeroen A. van Bokhoven; Richard J. van Haaren; Gino P. F. van Strijdonck; Ad M. J. van der Eerden; Piet W. N. M. van Leeuwen; Diek C. Koningsberger","Structure-Performance Relations in Homogeneous Pd Catalysis by In Situ EXAFS Spectroscopy","Journal of the American Chemical Society","2002","124","","14814","14815","10.1021/ja026604f","","","1.5418","CuKα","","0.072","0.065","","0.07","","0.067","","","1.058","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4115378","22.809","0.005","9.523","0.0019","11.144","0.002","90","","90","","90","","2420.6","0.8","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C26 H21 Mn O6 W -","- C26 H21 Mn O6 W -","- C104 H84 Mn4 O24 W4 -","4","0.5","","Li Shao; Steven J. Geib; Paul D. Badger; N. John Cooper","[2 + 2] Cross Coupling of Benzene and Tropylium Ligands in Reductively Activated Piano Stool Complexes of Mn, Cr, and W","Journal of the American Chemical Society","2002","124","","14812","14813","10.1021/ja027081e","","","0.71073","MoKα","","0.047","0.0375","","","0.1001","0.1045","","","","","","1.21","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115379","8.7774","0.0009","10.2972","0.001","13.6424","0.0013","92.513","0.002","90.93","0.002","94.008","0.002","1228.6","0.2","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C30 H44 -","- C30 H44 -","- C60 H88 -","2","1","","Rajendra Rathore; Mihaela I. Deselnicu; Carrie L. Burns","A Remarkably Efficient Synthesis of Pure cis-Stilbenoid Hydrocarbons Using trans-Dibromoalkenes via Palladium Catalysis","Journal of the American Chemical Society","2002","124","","14832","14833","10.1021/ja027421w","","","0.71073","MoKα","","0.0615","0.0483","","","0.1307","0.1393","","","","","","1.018","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115380","8.491","0.0009","9.8941","0.001","16.8648","0.0017","98.979","0.002","100.758","0.002","91.471","0.002","1372.7","0.2","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C34 H44 -","- C34 H44 -","- C68 H88 -","2","1","","Rajendra Rathore; Mihaela I. Deselnicu; Carrie L. Burns","A Remarkably Efficient Synthesis of Pure cis-Stilbenoid Hydrocarbons Using trans-Dibromoalkenes via Palladium Catalysis","Journal of the American Chemical Society","2002","124","","14832","14833","10.1021/ja027421w","","","0.71073","MoKα","","0.1128","0.097","","","0.2721","0.2879","","","","","","0.993","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115381","17.686","0.002","18.44","0.01","14.89","0.002","99.54","0.01","110.68","0.01","107.37","0.02","4131","2","123.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C45 H69 As -","- C45 H69 As -","- C180 H276 As4 -","4","2","","Shigeru Sasaki; Katsuhide Sutoh; Fumiki Murakami; Masaaki Yoshifuji","Synthesis, Structure, and Redox Properties of the Extremely Crowded Triarylpnictogens: Tris(2,4,6-triisopropylphenyl)phosphine, Arsine, Stibine, and Bismuthine","Journal of the American Chemical Society","2002","124","","14830","14831","10.1021/ja027493n","","","0.7107","MoKα","","","0.0471","","","","0.0639","","","","","","1.655","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115382","11.492","0.002","18.212","0.007","10.496","0.002","100.96","0.02","91.82","0.01","96.24","0.02","2140.8","1","200.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C45 H69 P -","- C45 H69 P -","- C90 H138 P2 -","2","1","","Shigeru Sasaki; Katsuhide Sutoh; Fumiki Murakami; Masaaki Yoshifuji","Synthesis, Structure, and Redox Properties of the Extremely Crowded Triarylpnictogens: Tris(2,4,6-triisopropylphenyl)phosphine, Arsine, Stibine, and Bismuthine","Journal of the American Chemical Society","2002","124","","14830","14831","10.1021/ja027493n","","","0.7107","MoKα","","","0.0813","","","","0.1656","","","","","","1.664","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115383","19.757","0.002","18.344","0.002","24.842","0.004","90","","111.049","0.003","90","","8402.5","1.8","115.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C45 H69 Sb -","- C45 H69 Sb -","- C360 H552 Sb8 -","8","2","","Shigeru Sasaki; Katsuhide Sutoh; Fumiki Murakami; Masaaki Yoshifuji","Synthesis, Structure, and Redox Properties of the Extremely Crowded Triarylpnictogens: Tris(2,4,6-triisopropylphenyl)phosphine, Arsine, Stibine, and Bismuthine","Journal of the American Chemical Society","2002","124","","14830","14831","10.1021/ja027493n","","","0.7107","MoKα","","","0.0344","","","","0.0483","","","","","","1.339","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115384","25.6986","0.0015","35.504","0.003","29.214","0.002","90","","100.573","0.003","90","","26202","3","147","2","147","2","","","","","","","synthetic","6","P 1 c 1","P -2yc","7","","","","- C130 H325 Cu70 O P21 Se35 -","- C130 Cu70.01 O P21 Se35 -","- C520 Cu280.04 O4 P84 Se140 -","4","2","","Nathan R. M. Crawford; Allan G. Hee; Jeffrey R. Long","Cluster Synthesis via Ligand-Arrested Solid Growth: Triethylphosphine-Capped Fragments of Binary Metal Chalcogenides","Journal of the American Chemical Society","2002","124","","14842","14843","10.1021/ja027862f","","","0.71073","MoKα","","0.3223","0.1581","","","0.34","0.4339","","","","","","1.313","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4115385","17.2391","0.0007","23.4906","0.001","17.303","0.0012","90","","90.305","0.002","90","","7006.9","0.6","130","2","130","2","","","","","","","synthetic","5","I 1 2/m 1","-I 2y","12","","","","- C84 H210 Cu26 P14 Se13 -","- C84 H210 Cu26 P14 Se13 -","- C168 H420 Cu52 P28 Se26 -","2","0.25","","Nathan R. M. Crawford; Allan G. Hee; Jeffrey R. Long","Cluster Synthesis via Ligand-Arrested Solid Growth: Triethylphosphine-Capped Fragments of Binary Metal Chalcogenides","Journal of the American Chemical Society","2002","124","","14842","14843","10.1021/ja027862f","","","0.71073","MoKα","","0.1757","0.0925","","0.2745","0.2391","","","","1.078","1.37","1.37","","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4115386","7.4957","0.0012","9.8957","0.0015","18.149","0.003","90","","90","","90","","1346.2","0.4","123","2","123","2","","","","","","","","3","C 2 2 21","C 2c 2","20","1,2-dithiin annelated with BCO","","","- C16 H20 S2 -","- C16 H20 S2 -","- C64 H80 S8 -","4","0.5","","Atsushi Wakamiya; Tohru Nishinaga; Koichi Komatsu","1,2-Dithiin Annelated with Bicyclo[2.2.2]octene Frameworks. One-Electron and Two-Electron Oxidations and Formation of a Novel 2,3,5,6-Tetrathiabicyclo[2.2.2]oct-7-ene Radical Cation with Remarkable Stability Owing to a Strong Transannular Interaction","Journal of the American Chemical Society","2002","124","","15038","15050","10.1021/ja028297j","","","0.71073","MoKα","","0.0524","0.0518","","","0.1417","0.1422","","","","","","1.223","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115387","8.0506","0.0008","23.896","0.002","12.1284","0.0011","90","","96.488","0.002","90","","2318.3","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetrathia radical cation","","","- C16 H20 Cl6 S4 Sb -","- C16 H20 Cl6 S4 Sb -","- C64 H80 Cl24 S16 Sb4 -","4","1","","Atsushi Wakamiya; Tohru Nishinaga; Koichi Komatsu","1,2-Dithiin Annelated with Bicyclo[2.2.2]octene Frameworks. One-Electron and Two-Electron Oxidations and Formation of a Novel 2,3,5,6-Tetrathiabicyclo[2.2.2]oct-7-ene Radical Cation with Remarkable Stability Owing to a Strong Transannular Interaction","Journal of the American Chemical Society","2002","124","","15038","15050","10.1021/ja028297j","","","0.71073","MoKα","","0.0483","0.045","","","0.1201","0.1223","","","","","","1.042","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115388","8.0312","0.0006","11.1246","0.0008","14.3052","0.001","107.786","0.001","92.856","0.001","108.053","0.001","1142.25","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1,2-dithiolium cation","","","- C16 H21 Cl6 O2 S2 Sb -","- C16 H21 Cl6 O2 S2 Sb -","- C32 H42 Cl12 O4 S4 Sb2 -","2","1","","Atsushi Wakamiya; Tohru Nishinaga; Koichi Komatsu","1,2-Dithiin Annelated with Bicyclo[2.2.2]octene Frameworks. One-Electron and Two-Electron Oxidations and Formation of a Novel 2,3,5,6-Tetrathiabicyclo[2.2.2]oct-7-ene Radical Cation with Remarkable Stability Owing to a Strong Transannular Interaction","Journal of the American Chemical Society","2002","124","","15038","15050","10.1021/ja028297j","","","0.71073","MoKα","","0.0431","0.0383","","","0.1026","0.1048","","","","","","1.057","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115389","10.3179","0.0006","12.9096","0.0008","12.5001","0.0007","90","","112.27","0.001","90","","1540.82","0.16","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","diiodide","","","- C16 H20 I2 -","- C16 H20 I2 -","- C64 H80 I8 -","4","1","","Atsushi Wakamiya; Tohru Nishinaga; Koichi Komatsu","1,2-Dithiin Annelated with Bicyclo[2.2.2]octene Frameworks. One-Electron and Two-Electron Oxidations and Formation of a Novel 2,3,5,6-Tetrathiabicyclo[2.2.2]oct-7-ene Radical Cation with Remarkable Stability Owing to a Strong Transannular Interaction","Journal of the American Chemical Society","2002","124","","15038","15050","10.1021/ja028297j","","","0.71073","MoKα","","0.022","0.0188","","","0.0475","0.0485","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115390","12.97","0.002","13.3437","0.0019","14.041","0.002","90","","90","","90","","2430","0.6","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","protonated 2-butene-1,4-dione","","","- C17 H23 Cl8 O2 Sb -","- C17 H23 Cl8 O2 Sb -","- C68 H92 Cl32 O8 Sb4 -","4","0.5","","Atsushi Wakamiya; Tohru Nishinaga; Koichi Komatsu","1,2-Dithiin Annelated with Bicyclo[2.2.2]octene Frameworks. One-Electron and Two-Electron Oxidations and Formation of a Novel 2,3,5,6-Tetrathiabicyclo[2.2.2]oct-7-ene Radical Cation with Remarkable Stability Owing to a Strong Transannular Interaction","Journal of the American Chemical Society","2002","124","","15038","15050","10.1021/ja028297j","","","0.71073","MoKα","","0.0469","0.0376","","","0.0848","0.0887","","","","","","1.064","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4115391","10.5299","0.0007","14.42","0.0009","17.4768","0.0011","102.507","0.001","102.949","0.001","91.993","0.001","2515.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H50 N2 O6 Ti -","- C62 H50 N2 O6 Ti -","- C124 H100 N4 O12 Ti2 -","2","1","","Yu Yuan; Xin Li; Jie Sun; Kuiling Ding","To Probe the Origin of Activation Effect of Carboxylic Acid and (+)-NLE in Tridentated Titanium Catalyst Systems","Journal of the American Chemical Society","2002","124","","14866","14867","10.1021/ja0286775","","","0.71073","MoKα","","0.1199","0.05","","","0.1069","0.1169","","","","","","0.714","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115392","13.1301","0.0004","13.1301","0.0004","50.308","0.002","90","","90","","120","","7511.1","0.4","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C61 H50 Cl2 N2 O4 Ti -","- C60.96 H43.3 Cl1.303 N2 O4 Ti -","- C365.76 H259.8 Cl7.818 N12 O24 Ti6 -","6","1","","Yu Yuan; Xin Li; Jie Sun; Kuiling Ding","To Probe the Origin of Activation Effect of Carboxylic Acid and (+)-NLE in Tridentated Titanium Catalyst Systems","Journal of the American Chemical Society","2002","124","","14866","14867","10.1021/ja0286775","","","0.71073","MoKα","","0.1488","0.0687","","","0.1499","0.1804","","","","","","0.861","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115393","5.4616","0.0016","25.31","0.009","18.152","0.007","90","","94.38","0.03","90","","2501.9","1.5","203","","203","","","","","","","","sigma (St. Louis, MO)","5","P 1 21 1","P 2yb","4","α-indomethacin","1-(4-chlorobenxoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid","","- C19 H16 Cl N O4 -","- C19 H16 Cl N O4 -","- C114 H96 Cl6 N6 O24 -","6","3","","Xiaoming Chen; Kenneth R. Morris; Ulrich J. Griesser; Stephen R. Byrn; Joseph G. Stowell","Reactivity Differences of Indomethacin Solid Forms with Ammonia Gas","Journal of the American Chemical Society","2002","124","50","15012","15019","10.1021/ja017662o","","","0.71073","Mo-Κα","","","0.054","","","","0.198","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115394","7.254","0.001","9.959","0.002","10.793","0.002","90","","91.18","0.03","90","","779.5","0.2","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tris(trifluoromethyl)_Borane_Carbonyl","","","- C4 B F9 O -","- C4 B F9 O -","- C16 B4 F36 O4 -","4","1","","Maik Finze; Eduard Bernhardt; Annegret Terheiden; Michael Berkei; Helge Willner; Dines Christen; Heinz Oberhammer; Friedhelm Aubke","Tris(trifluoromethyl)borane Carbonyl, (CF3)3BCO Synthesis, Physical, Chemical and Spectroscopic Properties, Gas Phase, and Solid State Structure","Journal of the American Chemical Society","2002","124","","15385","15398","10.1021/ja0209924","","","0.71069","MoKa","","0.1651","0.1271","","0.3937","0.3641","","","","1.137","1.337","1.337","","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115395","11.396","0.0005","18.121","0.0004","16.695","0.0007","90","","104.52","0.002","90","","3337.5","0.2","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1,3,3-Tetra-tert-butyl-2-[di-tert-butyl(methyl)silyl]- 1,3-dimethyltrisilane-2-lithium","","- C27 H63 Li Si4 -","- C27 H63 Li Si4 -","- C108 H252 Li4 Si16 -","4","1","","Masaaki Nakamoto; Tomohide Fukawa; Vladimir Ya. Lee; Akira Sekiguchi","Nearly Planar Nonsolvated Monomeric Silyl- and Germyllithiums as a Result of an Intramolecular CH-Li Agostic Interaction","Journal of the American Chemical Society","2002","124","","15160","15161","10.1021/ja021142r","","","0.7107","MoKα","","0.0765","0.0669","","","0.18","0.1906","","","","","","1.008","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115396","16.906","0.0002","11.413","0.0006","17.519","0.0006","90","","90","","90","","3380.3","0.2","120","","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","Tris[di-tert-butyl(methyl)silyl]germyllithium","","- C27 H63 Ge Li Si3 -","- C27 H63 Ge Li Si3 -","- C108 H252 Ge4 Li4 Si12 -","4","1","","Masaaki Nakamoto; Tomohide Fukawa; Vladimir Ya. Lee; Akira Sekiguchi","Nearly Planar Nonsolvated Monomeric Silyl- and Germyllithiums as a Result of an Intramolecular CH-Li Agostic Interaction","Journal of the American Chemical Society","2002","124","","15160","15161","10.1021/ja021142r","","","0.7107","MoKα","","0.0399","0.0354","","","0.0922","0.0948","","","","","","1.06","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115397","14.829","0.005","20.776","0.006","16.806","0.003","90","","93.628","0.015","90","","5167","2","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tris[di-tert-butyl(methyl)silyl]silyllithium (THF)4","","- C43 H95 Li O4 Si4 -","- C43 H95 Li O4 Si4 -","- C172 H380 Li4 O16 Si16 -","4","1","","Masaaki Nakamoto; Tomohide Fukawa; Vladimir Ya. Lee; Akira Sekiguchi","Nearly Planar Nonsolvated Monomeric Silyl- and Germyllithiums as a Result of an Intramolecular CH-Li Agostic Interaction","Journal of the American Chemical Society","2002","124","","15160","15161","10.1021/ja021142r","","","0.7107","MoKα","","0.246","0.0775","","","0.1735","0.2247","","","","","","0.771","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115398","33.156","0.0006","33.156","0.0006","32.884","0.0005","90","","90","","120","","31306.9","0.9","120","","120","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","Lithium tris[di-tert-butyl(methyl)silyl]germanide","","- C168 H372 Ge4 Li4 O15 Si12 -","- C168 H363 Ge4 Li4 O15 Si12 -","- C1008 H2178 Ge24 Li24 O90 Si72 -","6","0.333333","","Masaaki Nakamoto; Tomohide Fukawa; Vladimir Ya. Lee; Akira Sekiguchi","Nearly Planar Nonsolvated Monomeric Silyl- and Germyllithiums as a Result of an Intramolecular CH-Li Agostic Interaction","Journal of the American Chemical Society","2002","124","","15160","15161","10.1021/ja021142r","","","0.7107","MoKα","","0.0794","0.0696","","","0.1754","0.1842","","","","","","1.047","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115399","22.5443","0.0017","12.7044","0.0009","29.526","0.002","90","","90.23","0.002","90","","8456.5","1","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 B Co I P3 -","- C48 H44 B Co I P3 -","- C384 H352 B8 Co8 I8 P24 -","8","2","","David M. Jenkins; Angel J. Di Bilio; Matthew J. Allen; Theodore A. Betley; Jonas C. Peters","Elucidation of a Low Spin Cobalt(II) System in a Distorted Tetrahedral Geometry","Journal of the American Chemical Society","2002","124","","15336","15350","10.1021/ja026433e","","","0.71073","MoKα","","0.0899","0.0476","","","0.0786","0.0843","","","","","","1.137","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4115400","22.214","0.003","19.286","0.003","18.008","0.003","90","","90","","90","","7715","2","98","2","98","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C90 H82 B2 Br2 Co2 P6 -","- C90 H82 B2 Br2 Co2 P6 -","- C360 H328 B8 Br8 Co8 P24 -","4","0.5","","David M. Jenkins; Angel J. Di Bilio; Matthew J. Allen; Theodore A. Betley; Jonas C. Peters","Elucidation of a Low Spin Cobalt(II) System in a Distorted Tetrahedral Geometry","Journal of the American Chemical Society","2002","124","","15336","15350","10.1021/ja026433e","","","0.71073","MoKα","","0.1432","0.0695","","","0.0965","0.1012","","","","","","1.534","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4115401","26.34","0.003","13.2151","0.0014","28.015","0.003","90","","117.909","0.002","90","","8617.4","1.6","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H94 B2 Cl2 Co2 P6 -","- C102 H94 B2 Cl2 Co2 P6 -","- C408 H376 B8 Cl8 Co8 P24 -","4","1","","David M. Jenkins; Angel J. Di Bilio; Matthew J. Allen; Theodore A. Betley; Jonas C. Peters","Elucidation of a Low Spin Cobalt(II) System in a Distorted Tetrahedral Geometry","Journal of the American Chemical Society","2002","124","","15336","15350","10.1021/ja026433e","","","0.71073","MoKα","","0.0995","0.0468","","","0.066","0.0724","","","","","","1.028","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4115402","12.916","0.003","18.582","0.004","21.674","0.005","90","","106.262","0.003","90","","4994","2","98","2","98","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H53 B Co I O2 P3 -","- C57 H53 B Co I O2 P3 -","- C228 H212 B4 Co4 I4 O8 P12 -","4","1","","David M. Jenkins; Angel J. Di Bilio; Matthew J. Allen; Theodore A. Betley; Jonas C. Peters","Elucidation of a Low Spin Cobalt(II) System in a Distorted Tetrahedral Geometry","Journal of the American Chemical Society","2002","124","","15336","15350","10.1021/ja026433e","","","0.71073","MoKα","","0.0547","0.0361","","","0.0602","0.0637","","","","","","1.755","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115403","17.2447","0.0014","16.484","0.0013","16.4939","0.0013","90","","109.181","0.001","90","","4428.3","0.6","96","2","96","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C53 H50 B Co O P3 -","- C53 H50 B Co O P3 -","- C212 H200 B4 Co4 O4 P12 -","4","1","","David M. Jenkins; Angel J. Di Bilio; Matthew J. Allen; Theodore A. Betley; Jonas C. Peters","Elucidation of a Low Spin Cobalt(II) System in a Distorted Tetrahedral Geometry","Journal of the American Chemical Society","2002","124","","15336","15350","10.1021/ja026433e","","","0.71073","MoKα","","0.0454","0.0378","","","0.0612","0.0624","","","","","","1.661","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115404","13.435","0.003","16.162","0.003","10.858","0.002","90","","100.46","0.003","90","","2318.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 Li2 N2 O8 P2 -","- C48 H66 Li2 N2 O8 P2 -","- C96 H132 Li4 N4 O16 P4 -","2","0.5","","Ignacio Fernández; Julia María Álvarez Gutíerrez; Nikolaus Kocher; Dirk Leusser; Dietmar Stalke; Javier González; Fernando López Ortiz","[Li{CH(Me)P(Ph)2(NCO2Me)}2(THF)2]: Crystal, Solution, and Calculated Structure of aN-Delocalized Lithium Phosphazene","Journal of the American Chemical Society","2002","124","","15184","15185","10.1021/ja027469+","","","0.71073","MoKα","","0.0821","0.0593","","","0.1527","0.1691","","","","","","1.086","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115405","8.7183","0.0003","12.1533","0.0006","15.4338","0.0009","73.528","0.002","74.898","0.002","78.929","0.001","1501.65","0.13","296.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H36 Cl F3 O4 Ru2 S3 -","- C23 Cl F3 O4 Ru2 S3 -","- C46 Cl2 F6 O8 Ru4 S6 -","2","1","","Youichi Inada; Yoshiaki Nishibayashi; Masanobu Hidai; Sakae Uemura","Ruthenium-Catalyzed Propargylic Substitution Reaction of Propargylic Alcohols with Thiols: A General Synthetic Route to Propargylic Sulfides","Journal of the American Chemical Society","2002","124","","15172","15173","10.1021/ja027754t","","","0.7107","MoKα","","","0.039","","","","0.048","","","","","","1.484","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115406","5.4003","0.0004","18.3885","0.0014","8.9518","0.0007","90","","90.707","0.001","90","","888.88","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","2","","Valeri V. Mossine; Charles L. Barnes; Milton S. Feather; Thomas P. Mawhinney","Acyclic Tautomers in Crystalline Carbohydrates: The Keto Forms of 1-Deoxy-1-carboxymethylamino-d-2-pentuloses (Pentulose-glycines)","Journal of the American Chemical Society","2002","124","","15178","15179","10.1021/ja0282184","","","0.71073","MoKα","","0.0451","0.0369","","","0.0855","0.09","","","","","","1.043","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115407","14.063","0.003","7.4093","0.0015","15.285","0.003","90","","90","","90","","1592.7","0.6","293","2","293","2","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C8.6 H18.8 F4 N2 O23 Si9 U2 -","- C8.64 F4 N1.99 O23 Si9 U2 -","- C17.28 F8 N3.98 O46 Si18 U4 -","2","0.25","","Xiqu Wang; Jin Huang; Allan J. Jacobson","[(CH3)4N][(C5H5NH)0.8((CH3)3NH)0.2]U2Si9O23F4(USH-8): An Organically Templated Open-Framework Uranium Silicate","Journal of the American Chemical Society","2002","124","","15190","15191","10.1021/ja0288284","","","0.71073","MoKα","","0.1467","0.0558","","","0.0837","0.1003","","","","","","0.861","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115408","8.3625","0.001","32.698","0.004","8.8068","0.0011","90","","107.747","0.002","90","","2293.5","0.5","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 Co2 O9 Si -","- C18 H20 Co2 O9 Si -","- C72 H80 Co8 O36 Si4 -","4","2","","Scott E. Denmark; Shyh-Ming Yang","Intramolecular Silicon-Assisted Cross-Coupling: Total Synthesis of (+)-Brasilenyne","Journal of the American Chemical Society","2002","124","","15196","15197","10.1021/ja028936q","","","0.71073","MoKα","","0.0752","0.0452","","","0.0609","0.0665","","","","","","0.932","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115409","14.573","0.002","14.5731","","14.953","0.002","90","","90","","90","","3175.6","0.6","296.2","","","","","","","","","","","5","I 41","I 4bw","80","","","","- C32 H42 Fe N4 O8 -","- C32 H42 Fe N4 O8 -","- C128 H168 Fe4 N16 O32 -","4","0.5","","Toshiyuki Moriuchi; Akihiro Nomoto; Kazuhiro Yoshida; Akiya Ogawa; Toshikazu Hirao","Chirality Organization of Ferrocenes Bearing Podand Dipeptide Chains: Synthesis and Structural Characterization","Journal of the American Chemical Society","2001","123","","68","75","10.1021/ja002869n","","","0.7107","MoKα","","","0.0515","","","","0.0365","","","","","","3.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115410","9.294","0.001","11.783","0.001","8.924","0.001","98.65","0.01","116.481","0.009","81.41","0.01","861.05","0.17","296.2","","","","","","","","","","","5","P 1","P 1","1","","","","- C32 H46 Fe N4 O8 -","- C32 H46 Fe N4 O8 -","- C32 H46 Fe N4 O8 -","1","1","","Toshiyuki Moriuchi; Akihiro Nomoto; Kazuhiro Yoshida; Akiya Ogawa; Toshikazu Hirao","Chirality Organization of Ferrocenes Bearing Podand Dipeptide Chains: Synthesis and Structural Characterization","Journal of the American Chemical Society","2001","123","","68","75","10.1021/ja002869n","","","0.7107","MoKα","","","0.0387","","","","0.0302","","","","","","3.228","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115411","10.8188","0.0007","21.434","0.001","16.306","0.001","90","","90","","90","","3781.2","0.4","296.2","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C38 H42 Fe N4 O8 -","- C38 H42 Fe N4 O8 -","- C152 H168 Fe4 N16 O32 -","4","0.5","","Toshiyuki Moriuchi; Akihiro Nomoto; Kazuhiro Yoshida; Akiya Ogawa; Toshikazu Hirao","Chirality Organization of Ferrocenes Bearing Podand Dipeptide Chains: Synthesis and Structural Characterization","Journal of the American Chemical Society","2001","123","","68","75","10.1021/ja002869n","","","0.7107","MoKα","","","0.0555","","","","0.0586","","","","","","2.246","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115412","19.7525","0.0011","9.8664","0.0006","10.9577","0.0006","90","","90","","90","","2135.5","0.2","173","2","173","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","[K(18-crown-6)(toluene)]","","","- C19 H32 K O6 -","- C19 H32 K O6 -","- C76 H128 K4 O24 -","4","1","","Peter B. Hitchcock; Michael F. Lappert; Andrey V. Protchenko","The First Crystalline Alkali Metal Salt of a Benzenoid Radical Anion without a Stabilizing Substituent and of a Related Dimer: X-ray Structures of the Toluene Radical Anion and of the Benzene Radical Anion Dimer Potassium-Crown Ether Salts","Journal of the American Chemical Society","2001","123","","189","190","10.1021/ja005580e","","x-ray","0.71073","MoKα","","0.0587","0.0476","","","0.1152","0.1236","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4115413","26.1009","0.0008","16.3832","0.0007","9.13","0.0003","90","","90","","90","","3904.1","0.2","173","2","173","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","[{K(18-crown6)}2(C12H12)]","","","- C36 H60 K2 O12 -","- C36 H60 K2 O12 -","- C144 H240 K8 O48 -","4","0.5","","Peter B. Hitchcock; Michael F. Lappert; Andrey V. Protchenko","The First Crystalline Alkali Metal Salt of a Benzenoid Radical Anion without a Stabilizing Substituent and of a Related Dimer: X-ray Structures of the Toluene Radical Anion and of the Benzene Radical Anion Dimer Potassium-Crown Ether Salts","Journal of the American Chemical Society","2001","123","","189","190","10.1021/ja005580e","","x-ray","0.71073","MoKα","","0.0814","0.064","","","0.1542","0.1659","","","","","","1.062","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115414","26.6844","0.0006","8.5157","0.0003","22.0803","0.0005","90","","125.751","0.002","90","","4072","0.2","173","2","173","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","[(18-crown-6)K(OCHCH2)].1/2(C6H6)","","","- C17 H30 K O7 -","- C17 H30 K O7 -","- C136 H240 K8 O56 -","8","1","","Peter B. Hitchcock; Michael F. Lappert; Andrey V. Protchenko","The First Crystalline Alkali Metal Salt of a Benzenoid Radical Anion without a Stabilizing Substituent and of a Related Dimer: X-ray Structures of the Toluene Radical Anion and of the Benzene Radical Anion Dimer Potassium-Crown Ether Salts","Journal of the American Chemical Society","2001","123","","189","190","10.1021/ja005580e","","x-ray","0.71073","MoKα","","0.0418","0.0339","","","0.0845","0.0906","","","","","","0.939","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115415","11.787","0.006","36.607","0.009","8.504","0.005","90","","90","","90","","3669","3","296.2","","296.2","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H8 Br2 Fe0.5 S4 Se4 -","- C10 H8 Br1.5 Fe0.25 S4 Se4 -","- C80 H64 Br12 Fe2 S32 Se32 -","8","1","","Hideki Fujiwara; Emiko Fujiwara; Yasuhiro Nakazawa; Bakhyt Zh. Narymbetov; Kiyonori Kato; Hayao Kobayashi; Akiko Kobayashi; Madoka Tokumoto; Patrick Cassoux","A Novel Antiferromagnetic Organic Superconductor κ-(BETS)2FeBr4 [Where BETS = Bis(ethylenedithio)tetraselenafulvalene]","Journal of the American Chemical Society","2001","123","","306","314","10.1021/ja002439x","","","0.7107","MoKα","","","0.053","","","0.0492","","","","","1.416","1.416","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115416","11.7472","0.001","12.1672","0.0011","15.8347","0.0014","99.2118","0.0015","101.262","0.0015","109.507","0.0014","2029.2","0.3","173","2","173","2","","","","","","","Brendan OKeefe","4","P -1","-P 1","2","Fe5(O)(OEt)13","","","- C26 H65 Fe5 O14 -","- C26 H65 Fe5 O14 -","- C52 H130 Fe10 O28 -","2","1","","Brendan J. O'Keefe; Susanne M. Monnier; Marc A. Hillmyer; William B. Tolman","Rapid and Controlled Polymerization of Lactide by Structurally Characterized Ferric Alkoxides","Journal of the American Chemical Society","2001","123","","339","340","10.1021/ja003537l","","","0.71073","MoKα","","0.0907","0.0456","","","0.1048","0.1227","","","","","","0.949","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115417","12.6689","0.0007","19.7686","0.0011","9.9959","0.0005","90","","105.434","0.001","90","","2413.2","0.2","173","2","173","2","","","","","","","Brendan OKeefe","4","P 1 21/c 1","-P 2ybc","14","Fe2(OCMe2Ph)6","","","- C54 H66 Fe2 O6 -","- C27 H33 Fe O3 -","- C108 H132 Fe4 O12 -","4","1","","Brendan J. O'Keefe; Susanne M. Monnier; Marc A. Hillmyer; William B. Tolman","Rapid and Controlled Polymerization of Lactide by Structurally Characterized Ferric Alkoxides","Journal of the American Chemical Society","2001","123","","339","340","10.1021/ja003537l","","","0.71073","MoKα","","0.0473","0.0324","","","0.0729","0.078","","","","","","1.026","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115418","8.4817","0.0011","11.1925","0.0015","16.342","0.003","90","","98.482","0.012","90","","1534.4","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H38 F2 N2 Si3 -","- C32 H38 F2 N2 Si3 -","- C64 H76 F4 N4 Si6 -","2","1","","Eike Gellermann; Uwe Klingebiel; Mathias Noltemeyer; Stefan Schmatz","Silyl Group Insertion into the N-N Bond: Experimental and Quantum Chemical Results","Journal of the American Chemical Society","2001","123","","378","382","10.1021/ja001173r","","","0.71073","MoKα","","0.0601","0.0497","","0.1288","0.1166","","","","1.035","1.026","1.026","","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115419","15.76","0.0003","15.76","0.0003","15.76","0.0003","90","","90","","90","","3914.43","0.13","293","2","293","2","","","","","","","","6","P n -3 m :2","-P 4bc 2bc 3","224","","","","- C24 H30 Cl Cu3 N13 O14 -","- C24 H18 Cl Cu3 N13.02 O12.04 -","- C96 H72 Cl4 Cu12 N52.08 O48.16 -","4","0.0833333","","Leandro C. Tabares; Jorge A. R. Navarro; Juan M. Salas","Cooperative Guest Inclusion by a Zeolite Analogue Coordination Polymer. Sorption Behavior with Gases and Amine and Group 1 Metal Salts","Journal of the American Chemical Society","2001","123","","383","387","10.1021/ja002624a","","","0.71073","MoKα","","0.1114","0.0649","","","0.1911","0.2233","","","","","","1.084","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115420","9.7616","0.0002","15.8832","0.0004","18.6844","0.0003","90","","96.205","0.001","90","","2879.96","0.1","223.2","","223.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H47 Br N2 Ru2 -","- C28 H47 Br N2 Ru2 -","- C112 H188 Br4 N8 Ru8 -","4","1","","Hideo Kondo; Yoshitaka Yamaguchi; Hideo Nagashima","(η5-C5Me5)Ru(μ2-iPrNC(Me)NiPr)Ru(X)(η5-C5Me5): An Unusual Bonding Mode of μ2-Amidinate Ligand Providing the First Unequivocal Evidence for Coordinating Ability of π-Conjugate Electrons of the Amidinate Ligands to Transition Metals","Journal of the American Chemical Society","2001","123","","500","501","10.1021/ja003250o","","","0.7107","MoKα","","0.0592","0.0413","","","0.1013","0.1065","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115421","9.5292","0.0005","23.655","0.001","17.134","0.001","90","","103.147","0.002","90","","3761","0.3","296.2","","223.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H58 Br N3 -","- C38 H58 Br N3 Ru2 -","- C152 H232 Br4 N12 Ru8 -","4","1","","Hideo Kondo; Yoshitaka Yamaguchi; Hideo Nagashima","(η5-C5Me5)Ru(μ2-iPrNC(Me)NiPr)Ru(X)(η5-C5Me5): An Unusual Bonding Mode of μ2-Amidinate Ligand Providing the First Unequivocal Evidence for Coordinating Ability of π-Conjugate Electrons of the Amidinate Ligands to Transition Metals","Journal of the American Chemical Society","2001","123","","500","501","10.1021/ja003250o","","","0.7107","MoKα","","0.0519","0.036","","","0.0975","0.1134","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115422","7.1894","0.0011","12.3968","0.0019","7.6376","0.0011","90","","93.202","0.003","90","","679.64","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","aplydactone","(1R,3S,6S,8R,11S)-8-bromo-3,7,7-trimethyltetracyclo[4.4.2.01,6.03,11] dodecan-4-one","","- C15 H21 Br O -","- C15 H21 Br O -","- C30 H42 Br2 O2 -","2","1","","Sergey N. Fedorov; Oleg S. Radchenko; Larisa K. Shubina; Anatoly I. Kalinovsky; Andrey V. Gerasimenko; Dmitry Y. Popov; Valentin A. Stonik","Aplydactone, a New Sesquiterpenoid with an Unprecedented Carbon Skeleton from the Sea Hare Aplysia dactylomela, and Its Cargill-Like Rearrangement","Journal of the American Chemical Society","2001","123","","504","505","10.1021/ja003254t","","","0.71073","MoKα","","0.0288","0.0273","","","0.0665","0.067","","","","","","1.012","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115423","12.757","0.002","9.726","0.002","17.8576","0.0007","90","","103.358","0.0007","90","","2155.7","0.6","180.2","","180.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 F22 O4 Pt Sb4 -","- C4 F22 O4 Pt Sb4 -","- C16 F88 O16 Pt4 Sb16 -","4","1","","Helge Willner; Matthias Bodenbinder; Raimund Bröchler; Germaine Hwang; Steven J. Rettig; James Trotter; Britta von Ahsen; Ulrich Westphal; Volker Jonas; Walter Thiel; Friedhelm Aubke","Superelectrophilic Tetrakis(carbonyl)palladium(II)- and -platinum(II) Undecafluorodiantimonate(V), [Pd(CO)4][Sb2F11]2 and [Pt(CO)4][Sb2F11]2: Syntheses, Physical and Spectroscopic Properties, Their Crystal, Molecular, and Extended Structures, and Density Functional Calculations: An Experimental, Computational, and Comparative Study","Journal of the American Chemical Society","2001","123","","588","602","10.1021/ja002360s","","","0.7107","MoKα","","0.0532","0.025","","0.0479","","0.022","","","1.16","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115424","12.583","0.002","9.8172","0.0009","17.9895","0.0009","90","","103.118","0.001","90","","2164.2","0.4","180.2","","180.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 F22 O4 Pd Sb4 -","- C4 F22 O4 Pd Sb4 -","- C16 F88 O16 Pd4 Sb16 -","4","1","","Helge Willner; Matthias Bodenbinder; Raimund Bröchler; Germaine Hwang; Steven J. Rettig; James Trotter; Britta von Ahsen; Ulrich Westphal; Volker Jonas; Walter Thiel; Friedhelm Aubke","Superelectrophilic Tetrakis(carbonyl)palladium(II)- and -platinum(II) Undecafluorodiantimonate(V), [Pd(CO)4][Sb2F11]2 and [Pt(CO)4][Sb2F11]2: Syntheses, Physical and Spectroscopic Properties, Their Crystal, Molecular, and Extended Structures, and Density Functional Calculations: An Experimental, Computational, and Comparative Study","Journal of the American Chemical Society","2001","123","","588","602","10.1021/ja002360s","","","0.7107","MoKα","","0.056","0.025","","0.0466","","0.022","","","1.115","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115425","14.805","0.0006","14.805","0.0006","41.608","0.002","90","","90","","120","","7898.1","0.6","203","2","203","2","","","","","","","","7","P 61","P 61","169","","","","- C53 H50 Ag2 Cl2 N4 O11 Pt2 -","- C53 H50 Ag2 Cl2 N4 O11 Pt2 -","- C318 H300 Ag12 Cl12 N24 O66 Pt12 -","6","1","","Tadashi Yamaguchi; Fumie Yamazaki; Tasuku Ito","A Helical Metal-Metal Bonded Chain via the Pt\ρightarrowAg Dative Bond","Journal of the American Chemical Society","2001","123","","743","744","10.1021/ja002906a","","","0.71069","MoKα","","0.0579","0.0405","","","0.1035","0.1132","","","","","","0.748","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115426","16.7243","0.0009","23.9731","0.0012","16.9345","0.0009","90","","90.625","0.001","90","","6789.2","0.6","213","2","213","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C63 H54 Ag2 Cl2 N6 O11 Pt3 S6 -","- C63 H54 Ag2 Cl2 N6 O11 Pt3 S6 -","- C252 H216 Ag8 Cl8 N24 O44 Pt12 S24 -","4","1","","Tadashi Yamaguchi; Fumie Yamazaki; Tasuku Ito","A Helical Metal-Metal Bonded Chain via the Pt\ρightarrowAg Dative Bond","Journal of the American Chemical Society","2001","123","","743","744","10.1021/ja002906a","","","0.71069","MoKα","","0.0734","0.033","","","0.0833","0.1097","","","","","","0.63","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115427","17.933","0.004","28.314","0.006","29.459","0.006","90","","104.82","0.03","90","","14460","6","110","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H76 F60 N42 Ni5 Sb10 -","- C86 H70 Cl6.734 F59.388 N42 Ni5 Sb6.684 -","- C344 H280 Cl26.936 F237.552 N168 Ni20 Sb26.736 -","4","0.5","","Cristian Saul Campos-Fernández; Rodolphe Clérac; John M. Koomen; David H. Russell; Kim R. Dunbar","Fine-Tuning the Ring-Size of Metallacyclophanes: A Rational Approach to Molecular Pentagons","Journal of the American Chemical Society","2001","123","","773","774","10.1021/ja002960r","","","0.71073","MoKα","","0.152","0.116","","","0.3645","0.4099","","","","","","1.069","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115428","13.924","0.005","17.071","0.005","21.94","0.005","94.458","0.005","92.51","0.005","97.79","0.005","5144","3","110","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H68 B8 F32 N36 Zn4 -","- C73 H68 B8 F32 N35 Zn4 -","- C146 H136 B16 F64 N70 Zn8 -","2","1","","Cristian Saul Campos-Fernández; Rodolphe Clérac; John M. Koomen; David H. Russell; Kim R. Dunbar","Fine-Tuning the Ring-Size of Metallacyclophanes: A Rational Approach to Molecular Pentagons","Journal of the American Chemical Society","2001","123","","773","774","10.1021/ja002960r","","","0.71069","MoKα","","0.1335","0.0695","","","0.2017","0.2614","","","","","","1.035","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115429","20.377","0.004","16.634","0.003","28.283","0.006","90","","102.3","0.03","90","","9366","3","110","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H65 Cl8 N35 O32 Zn4 -","- C30 H20 Cl3.2 N13.2 O14.32 Zn1.6 -","- C300 H200 Cl32 N132 O143.2 Zn16 -","10","1.25","","Cristian Saul Campos-Fernández; Rodolphe Clérac; John M. Koomen; David H. Russell; Kim R. Dunbar","Fine-Tuning the Ring-Size of Metallacyclophanes: A Rational Approach to Molecular Pentagons","Journal of the American Chemical Society","2001","123","","773","774","10.1021/ja002960r","","","0.71073","MoKα","","0.1284","0.0764","","","0.2218","0.261","","","","","","1.024","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115430","15.082","0.003","31.922","0.006","22.305","0.005","90","","104.11","0.03","90","","10415","4","110","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H73 Cl8 N36 Ni4 O33 -","- C76 H70 Cl8 N36 Ni4 O33 -","- C304 H280 Cl32 N144 Ni16 O132 -","4","1","","Cristian Saul Campos-Fernández; Rodolphe Clérac; John M. Koomen; David H. Russell; Kim R. Dunbar","Fine-Tuning the Ring-Size of Metallacyclophanes: A Rational Approach to Molecular Pentagons","Journal of the American Chemical Society","2001","123","","773","774","10.1021/ja002960r","","","0.71073","MoKα","","0.197","0.0605","","","0.1477","0.2047","","","","","","0.874","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115431","10.133","0.002","9.684","0.002","38.1","0.01","90","","90.86","0.02","90","","3738.3","1.5","298.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 N9 O13 Pt2 -","- C26 N9 O13 Pt2 -","- C104 N36 O52 Pt8 -","4","1","","Yong-Shou Lin; Hanae Misawa; Jun Yamada; Kazuko Matsumoto","Synthesis of Ketonylplatinum(III) Dinuclear Complexes: Observation of the Competitive Radical vs Electrophilic Displacement in Pt(III)-Promoted C-H Bond Activation of Ketones","Journal of the American Chemical Society","2001","123","","569","575","10.1021/ja9943041","","","0.7107","MoKα","","","0.0683","","","","0.0723","","","","","","1.554","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115432","10.105","0.002","17.225","0.003","9.522","0.002","104.5","0.01","96.9","0.02","73.07","0.02","1533.1","0.5","298.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H39 N9 O13 Pt2 -","- C15 H38 N9 O13 Pt2 -","- C30 H76 N18 O26 Pt4 -","2","1","","Yong-Shou Lin; Hanae Misawa; Jun Yamada; Kazuko Matsumoto","Synthesis of Ketonylplatinum(III) Dinuclear Complexes: Observation of the Competitive Radical vs Electrophilic Displacement in Pt(III)-Promoted C-H Bond Activation of Ketones","Journal of the American Chemical Society","2001","123","","569","575","10.1021/ja9943041","","","0.7107","MoKα","","","0.0314","","","","0.0338","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115433","14.2877","0.0002","21.2552","0.0004","8.2422","0.0002","90","","90","","90","","2503.06","0.08","158","2","158","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C16 H41 Ge N Si4 -","- C16 H41 Ge N Si4 -","- C64 H164 Ge4 N4 Si16 -","4","","","Karla A. Miller; Thomas W. Watson; John E. Bender; Mark M. Banaszak Holl; Jeff W. Kampf","Intermolecular C-H Insertions and Cyclization Reactions Involving a Stable Germylene","Journal of the American Chemical Society","2001","123","","982","983","10.1021/ja0026408","","","0.71073","MoKα","","0.0635","0.0502","","","0.1174","0.1268","","","","","","1.07","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115434","11.175","0.0007","17.992","0.001","25.141","0.002","94.951","0.004","101.792","0.003","90.832","0.004","4927","0.6","150","","","","","","","","","","?","4","P -1","-P 1","2","","","","- C105 H72 Br2 Cl18 -","- C104.5 H72 Br2 Cl18.2 -","- C209 H144 Br4 Cl36.4 -","2","1","","Sepas Setayesh; Andrew C. Grimsdale; Tanja Weil; Volker Enkelmann; Klaus Müllen; Farideh Meghdadi; Emil J. W. List; Günther Leising","Polyfluorenes with Polyphenylene Dendron Side Chains: Toward Non-Aggregating, Light-Emitting Polymers","Journal of the American Chemical Society","2001","123","","946","953","10.1021/ja0031220","","","0.71073","MoKα","","","0.0828","","","","0.088","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115435","8.969","0.0007","12.5676","0.0009","15.6444","0.0012","90","","95.293","0.006","90","","1755.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O4 Se2 -","- C18 H18 O4 Se2 -","- C72 H72 O16 Se8 -","4","1","","G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher","Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study","Journal of the American Chemical Society","2001","123","","839","850","10.1021/ja994467p","","","0.71073","MoKα","","0.0934","0.0455","","","0.0886","0.1049","","","","","","1.018","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115436","10.7903","0.0011","15.1341","0.0012","17.7815","0.0014","90","","90","","90","","2903.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Fe2 N2 Se2 -","- C28 H36 Fe2 N2 Se2 -","- C112 H144 Fe8 N8 Se8 -","4","1","","G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher","Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study","Journal of the American Chemical Society","2001","123","","839","850","10.1021/ja994467p","","","0.71073","MoKα","","0.1318","0.0536","","0.129","0.0978","","","","1.054","1.154","1.154","","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115437","33.198","0.004","33.198","0.004","10.5639","0.0015","90","","90","","120","","10083","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H24 N2 O2 Se2 -","- C22 H24 N2 O2 Se2 -","- C396 H432 N36 O36 Se36 -","18","1","","G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher","Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study","Journal of the American Chemical Society","2001","123","","839","850","10.1021/ja994467p","","","0.71073","MoKα","","0.1336","0.05","","0.1092","0.0837","","","","1.03","1.113","1.113","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115438","8.778","0.003","12.643","0.003","20.268","0.004","90","","90","","90","","2249.3","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O2 Se2 -","- C22 H22 N2 O2 Se2 -","- C88 H88 N8 O8 Se8 -","4","1","","G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher","Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study","Journal of the American Chemical Society","2001","123","","839","850","10.1021/ja994467p","","","0.71073","MoKα","","0.09","0.0456","","0.1033","0.0869","","","","1.061","1.14","1.14","","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115439","7.6738","0.001","11.0274","0.0011","26.127","0.003","90","","90","","90","","2210.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 Se2 -","- C24 H24 N2 Se2 -","- C96 H96 N8 Se8 -","4","1","","G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher","Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study","Journal of the American Chemical Society","2001","123","","839","850","10.1021/ja994467p","","","0.71073","MoKα","","0.1525","0.0564","","0.1661","0.1015","","","","1.033","1.058","1.058","","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115440","18.912","0.003","17.042","0.003","24.318","0.004","90","","95.99","0.01","90","","7795","2","103.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H49 N11 O13.5 S Y -","- C28 H44 N11 O13.5 S Y -","- C224 H352 N88 O108 S8 Y8 -","8","2","","Shin Aoki; Hiroki Kawatani; Teruhiro Goto; Eiichi Kimura; Motoo Shiro","A Double-Functionalized Cyclen with Carbamoyl and Dansyl Groups (Cyclen = 1,4,7,10-Tetraazacyclododecane): A Selective Fluorescent Probe for Y3+ and La3+","Journal of the American Chemical Society","2001","123","","1123","1132","10.1021/ja0033786","","","1.5418","CuKalpha","","","0.0993","","","","0.2288","","","","","","1.481","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115441","35.361","0.001","13.7298","0.0005","18.5998","0.0006","90","","119.073","0.002","90","","7892.4","0.5","123.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H51 N11 O14 S Zn -","- C28 H45 N11 O14 S Zn -","- C224 H360 N88 O112 S8 Zn8 -","8","1","","Shin Aoki; Hiroki Kawatani; Teruhiro Goto; Eiichi Kimura; Motoo Shiro","A Double-Functionalized Cyclen with Carbamoyl and Dansyl Groups (Cyclen = 1,4,7,10-Tetraazacyclododecane): A Selective Fluorescent Probe for Y3+ and La3+","Journal of the American Chemical Society","2001","123","","1123","1132","10.1021/ja0033786","","","0.7107","MoKalpha","","","0.0837","","","","0.138","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115442","4.3486","0.0003","4.3486","0.0003","44.579","0.008","90","","90","","90","","843","0.17","295","2","295","2","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","neodymium gallium antimonide","neodymium gallium antimonide","","- Ga Nd Sb2 -","- Ga Nd Sb2 -","- Ga8 Nd8 Sb16 -","8","0.25","","Allison M. Mills; Arthur Mar","Layered Rare-Earth Gallium Antimonides REGaSb2 (RE= La-Nd, Sm)","Journal of the American Chemical Society","2001","123","","1151","1158","10.1021/ja003705+","","","0.71073","MoKα","","0.0462","0.0339","","","0.0684","0.0731","","","","","","1.104","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115443","4.3087","0.0005","22.093","0.004","4.3319","0.0004","90","","90","","90","","412.36","0.1","295","2","295","2","","","","","","","","3","C 2 2 21","C 2c 2","20","samarium gallium antimonide","samarium gallium antimonide","","- Ga Sb2 Sm -","- Ga Sb2 Sm -","- Ga4 Sb8 Sm4 -","4","0.5","","Allison M. Mills; Arthur Mar","Layered Rare-Earth Gallium Antimonides REGaSb2 (RE= La-Nd, Sm)","Journal of the American Chemical Society","2001","123","","1151","1158","10.1021/ja003705+","","","0.71073","MoKα","","0.0318","0.0293","","","0.0722","0.0737","","","","","","1.055","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115444","26.372","0.003","25.257","0.003","15.9775","0.0016","90","","103.804","0.002","90","","10335","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H18 Ag24 B2 F53 N3 O39 -","- C36 Ag24 B2 F53 N3.86 O39 -","- C144 Ag96 B8 F212 N15.44 O156 -","4","0.5","","Quan-Ming Wang; Thomas C. W. Mak","Elliptic Column Consolidated by Acetylide Dianion, Cyanide, and Trifluoroacetate in a Novel Quadruple Salt of Silver(I)","Journal of the American Chemical Society","2001","123","","1501","1502","10.1021/ja0028727","","","0.71073","MoKα","","0.1235","0.0657","","","0.1996","0.2311","","","","","","0.953","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115445","13.348","0.001","15.716","0.002","17.509","0.002","70.287","0.001","84.608","0.001","69.442","0.001","3236.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","00240","","","- C76 H85 Fe N4 O5 -","- C76 H85 Fe N4 O5 -","- C152 H170 Fe2 N8 O10 -","2","1","","Chen-Yu Yeh; Christopher J. Chang; Daniel G. Nocera","""Hangman"" Porphyrins for the Assembly of a Model Heme Water Channel","Journal of the American Chemical Society","2001","123","","1513","1514","10.1021/ja003245k","","","0.71073","MoKα","","0.1251","0.0545","","","0.1184","0.1473","","","","","","1.033","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4115446","6.845","0.002","17.687","0.008","10.888","0.004","90","","98.28","0.02","90","","1304.4","0.9","297.2","","297.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H F12 I O2 -","- C8 H F12 I O2 -","- C32 H4 F48 I4 O8 -","4","1","","Takayuki Kawashima; Kazuhisa Hoshiba; Naokazu Kano","Synthesis, Structure, and Reactions of a Tricoordinate 1,2-Iodoxetane","Journal of the American Chemical Society","2001","123","","1507","1508","10.1021/ja003393a","","","0.7107","MoKα","","0.0493","0.0505","","0.075","","0.0766","","","0.724","","","0.72","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115447","8.764","0.005","11.259","0.005","14.458","0.005","90","","93.13","0.02","90","","1424.5","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 I3 N2 S2 -","- C6 H10 I3 N2 S2 -","- C24 H40 I12 N8 S8 -","4","0.5","","Francesco Bigoli; Paola Deplano; Maria Laura Mercuri; Maria Angela Pellinghelli; Gloria Pintus; Angela Serpe; Emanuele F. Trogu","N,N'-Dimethylpiperazinium-2,3-dithione Triiodide, [Me2Pipdt]I3, as a Powerful New Oxidation Agent toward Metallic Platinum. Synthesis and X-ray Structures of the Reagent and the Product [Pt(Me2Pipdt)2](I3)2","Journal of the American Chemical Society","2001","123","","1788","1789","10.1021/ja0056015","","","0.71073","MoKα","","0.067","0.0447","","","0.1419","0.1509","","","","","","1.043","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115448","9.072","0.006","13.303","0.005","12.611","0.005","90","","107.99","0.02","90","","1447.5","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 I6 N4 Pt S4 -","- C12 H20 I6 N4 Pt S4 -","- C24 H40 I12 N8 Pt2 S8 -","2","0.5","","Francesco Bigoli; Paola Deplano; Maria Laura Mercuri; Maria Angela Pellinghelli; Gloria Pintus; Angela Serpe; Emanuele F. Trogu","N,N'-Dimethylpiperazinium-2,3-dithione Triiodide, [Me2Pipdt]I3, as a Powerful New Oxidation Agent toward Metallic Platinum. Synthesis and X-ray Structures of the Reagent and the Product [Pt(Me2Pipdt)2](I3)2","Journal of the American Chemical Society","2001","123","","1788","1789","10.1021/ja0056015","","","0.71073","MoKα","","0.1365","0.0506","","","0.1248","0.1393","","","","","","0.676","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115449","22.81","0.005","13.15","0.003","27.67","0.006","90","","113.48","0.03","90","","7612","3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H86 Cd4 Cl4 N2 O Se6 -","- C64 H86 Cd4 Cl4 N2 O Se6 -","- C256 H344 Cd16 Cl16 N8 O4 Se24 -","4","1","","V. N. Soloviev; A. Eichhöfer; D. Fenske; U. Banin","Size-Dependent Optical Spectroscopy of a Homologous Series of CdSe Cluster Molecules","Journal of the American Chemical Society","2001","123","","2354","2364","10.1021/ja003598j","","","0.71073","MoKα","","0.0708","0.0513","","","0.1372","0.151","","","","","","0.685","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115450","25.441","0.004","25.441","0.004","20.308","0.004","90","","90","","90","","13144","4","200","2","200","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C108 H144 Cd10 P4 Se16 -","- C108 H144 Cd10 P4 Se16 -","- C432 H576 Cd40 P16 Se64 -","4","0.25","","V. N. Soloviev; A. Eichhöfer; D. Fenske; U. Banin","Size-Dependent Optical Spectroscopy of a Homologous Series of CdSe Cluster Molecules","Journal of the American Chemical Society","2001","123","","2354","2364","10.1021/ja003598j","","","0.71073","MoKα","","0.0716","0.0528","","","0.1462","0.1594","","","","","","1.107","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115451","32.664","0.004","32.664","0.004","32.664","0.004","90","","90","","90","","34850","7","200","2","200","2","","","","","","","","7","F 2 3","F 2 2 3","196","","","","- C300 H304 Cd25 Cl4 O6 P4 Se41 -","- C276 Cd25 Cl4 O6 P4 Se41 -","- C1104 Cd100 Cl16 O24 P16 Se164 -","4","0.0833333","","V. N. Soloviev; A. Eichhöfer; D. Fenske; U. Banin","Size-Dependent Optical Spectroscopy of a Homologous Series of CdSe Cluster Molecules","Journal of the American Chemical Society","2001","123","","2354","2364","10.1021/ja003598j","","","0.71073","MoKα","","0.0645","0.0476","","","0.1311","0.1447","","","","","","1.013","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115452","16.7447","0.0006","18.4217","0.0007","17.3976","0.0005","90","","116.619","0.001","90","","4797.7","0.3","296.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H68 B Ca N O7 -","- C51 H67 B Ca N O7 -","- C204 H268 B4 Ca4 N4 O28 -","4","1","","Shinobu Itoh; Hideyuki Kumei; Shigenori Nagatomo; Teizo Kitagawa; Shunichi Fukuzumi","Effects of Metal Ions on Physicochemical Properties and Redox Reactivity of Phenolates and Phenoxyl Radicals: Mechanistic Insight into Hydrogen Atom Abstraction by Phenoxyl Radical-Metal Complexes","Journal of the American Chemical Society","2001","123","","2165","2175","10.1021/ja0036110","","","0.7107","MoKα","","","0.0649","","","","0.1706","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115453","13.2719","0.0009","15.321","0.001","12.3308","0.0007","108.05","0.003","94.392","0.002","99.524","0.002","2329.1","0.3","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H66 B Mg N O6 -","- C50 H66 B Mg N O6 -","- C100 H132 B2 Mg2 N2 O12 -","2","1","","Shinobu Itoh; Hideyuki Kumei; Shigenori Nagatomo; Teizo Kitagawa; Shunichi Fukuzumi","Effects of Metal Ions on Physicochemical Properties and Redox Reactivity of Phenolates and Phenoxyl Radicals: Mechanistic Insight into Hydrogen Atom Abstraction by Phenoxyl Radical-Metal Complexes","Journal of the American Chemical Society","2001","123","","2165","2175","10.1021/ja0036110","","","0.7107","MoKα","","","0.0761","","","","0.1633","","","","","","1.489","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115454","19.3828","0.0009","17.9403","0.0008","30.596","0.001","90","","107.374","0.0008","90","","10153.8","0.7","296.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H140 B2 N2 O15 Sr2 -","- C102 H133 B2 N2 O15 Sr2 -","- C408 H532 B8 N8 O60 Sr8 -","4","1","","Shinobu Itoh; Hideyuki Kumei; Shigenori Nagatomo; Teizo Kitagawa; Shunichi Fukuzumi","Effects of Metal Ions on Physicochemical Properties and Redox Reactivity of Phenolates and Phenoxyl Radicals: Mechanistic Insight into Hydrogen Atom Abstraction by Phenoxyl Radical-Metal Complexes","Journal of the American Chemical Society","2001","123","","2165","2175","10.1021/ja0036110","","","0.7107","MoKα","","","0.113","","","","0.2484","","","","","","1.482","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115455","35.486","0.002","17.9443","0.0009","17.8958","0.0008","90","","104.803","0.001","90","","11017.3","1","296.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H78 B Ca N O9 -","- C53 H78 B Ca N O9 -","- C424 H624 B8 Ca8 N8 O72 -","8","1","","Shinobu Itoh; Hideyuki Kumei; Shigenori Nagatomo; Teizo Kitagawa; Shunichi Fukuzumi","Effects of Metal Ions on Physicochemical Properties and Redox Reactivity of Phenolates and Phenoxyl Radicals: Mechanistic Insight into Hydrogen Atom Abstraction by Phenoxyl Radical-Metal Complexes","Journal of the American Chemical Society","2001","123","","2165","2175","10.1021/ja0036110","","","0.7107","MoKα","","","0.0757","","","","0.1804","","","","","","1.307","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115456","20.11351","0.00022","19.92999","0.00026","13.40977","0.00019","90","","90","","90","","5375.47","0.12","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O2 Si -","- O2 Si -","- O192 Si96 -","96","12","","Carlo Lamberti; Silvia Bordiga; Adriano Zecchina; Gilberto Artioli; Gianluigi Marra; Guido Spanò","Ti Location in the MFI Framework of Ti-Silicalite-1: A Neutron Powder Diffraction Study","Journal of the American Chemical Society","2001","123","","2204","2212","10.1021/ja003657t","powder diffraction","","","","","","","","","","","","","1.82","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4115457","20.07147","0.00028","19.90742","0.00032","13.38532","0.00023","90","","90","","90","","5348.39","0.15","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O2 Si -","- O2 Si -","- O192 Si96 -","96","12","","Carlo Lamberti; Silvia Bordiga; Adriano Zecchina; Gilberto Artioli; Gianluigi Marra; Guido Spanò","Ti Location in the MFI Framework of Ti-Silicalite-1: A Neutron Powder Diffraction Study","Journal of the American Chemical Society","2001","123","","2204","2212","10.1021/ja003657t","powder diffraction","","","","","","","","","","","","","1.54","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4115458","20.12825","0.00031","19.9449","0.0004","13.41945","0.00026","90","","90","","90","","5387.32","0.17","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O2 Si -","- O2 Si -","- O192 Si96 -","96","12","","Carlo Lamberti; Silvia Bordiga; Adriano Zecchina; Gilberto Artioli; Gianluigi Marra; Guido Spanò","Ti Location in the MFI Framework of Ti-Silicalite-1: A Neutron Powder Diffraction Study","Journal of the American Chemical Society","2001","123","","2204","2212","10.1021/ja003657t","powder diffraction","","","","","","","","","","","","","1.57","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4115459","6.0506","0.0006","17.507","0.002","22.199","0.002","90","","90","","90","","2351.5","0.4","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 O2 -","- C27 H42 O2 -","- C108 H168 O8 -","4","1","","Teck-Peng Loh; Qi-Ying Hu; Li-Ting Ma","Formation of Tetrahydrofuran from Homoallylic Alcohol via a Tandem Sequence: 2-Oxonia [3,3]-Sigmatropic Rearrangement/Cyclization Catalyzed by In(OTf)3","Journal of the American Chemical Society","2001","123","","2450","2451","10.1021/ja005831j","","","0.71073","MoKα","","0.1264","0.0721","","","0.1474","0.1689","","","","","","0.981","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115460","10.552","0.006","18.024","0.011","13.083","0.008","90","","98.296","0.012","90","","2462","3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","compound 34","","","- C23 H40 O6 -","- C23 H40 O6 -","- C92 H160 O24 -","4","2","","Kenji Kinoshita; Paul G Williard; Chaitan Khosla; David E. Cane","Precursor-Directed Biosynthesis of 16-Membered Macrolides by the Erythromycin Polyketide Synthase","Journal of the American Chemical Society","2001","123","","2495","2502","10.1021/ja004139l","","","0.71073","MoKα","","0.1527","0.0829","","","0.1929","0.2361","","","","","","1.009","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115461","21.523","0.002","23.449","0.003","7.3211","0.0008","90","","90","","90","","3694.9","0.7","183","2","183","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H11 N3 O3 -","- C9 H11 N3 O3 -","- C144 H176 N48 O48 -","16","1","","Lakshmaiah Gingipalli; Peter C. Dedon","Reaction of cis- and trans-2-Butene-1,4-dial with 2'-Deoxycytidine to Form Stable Oxadiazabicyclooctaimine Adducts","Journal of the American Chemical Society","2001","123","","2664","2665","10.1021/ja0056421","","","0.71073","MoKα","","0.0465","0.0435","","","0.096","0.0971","","","","","","1.145","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115462","27.8463","0.0014","36.2391","0.0016","18.928","0.001","90","","90","","90","","19100.7","1.6","200","3","200","3","","","","","","","crystal provided by K. Severin","7","P c c n","-P 2ab 2ac","56","Ru-C5H3NO2-C10H14-NaCl","","","- C48 H54 Cl N3 Na O6 Ru3 -","- C48 H54 Cl N3 Na O6 Ru3 -","- C768 H864 Cl16 N48 Na16 O96 Ru48 -","16","2","","Holger Piotrowski; Kurt Polborn; Gerhard Hilt; Kay Severin","A Self-Assembled Metallomacrocyclic Ionophore with High Affinity and Selectivity for Li+ and Na+","Journal of the American Chemical Society","2001","123","","2699","2700","10.1021/ja005804t","","","0.71073","MoKα","","0.0518","0.0395","","","0.1078","0.1128","","","","","","0.994","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115463","9.8458","0.0007","11.7704","0.0008","21.5444","0.0015","97.819","0.008","90.981","0.008","100.83","0.008","2427.2","0.3","200","3","200","3","","","","","","","crystal provided by K. Severin","5","P -1","-P 1","2","Ru-C5H3NO2-C10H14","","","- C48.5 H65 N3 O11 Ru3 -","- C48.5 H55 N3 O11 Ru3 -","- C97 H110 N6 O22 Ru6 -","2","1","","Holger Piotrowski; Kurt Polborn; Gerhard Hilt; Kay Severin","A Self-Assembled Metallomacrocyclic Ionophore with High Affinity and Selectivity for Li+ and Na+","Journal of the American Chemical Society","2001","123","","2699","2700","10.1021/ja005804t","","","0.71073","MoKα","","0.0276","0.0235","","","0.0632","0.0646","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115464","11.1892","0.0002","14.4902","0.00029","18.7244","0.0004","105.12","0.0009","95.4252","0.0009","102.472","0.0008","2824.7","0.1","200","2","200","3","","","","","","","crystal provided by K. Severin","7","P -1","-P 1","2","Ru-C5H3NO2-C10H14-LiCl","","","- C59 H69 Cl Li N3 O7 Ru3 -","- C59 H69 Cl Li N3 O7 Ru3 -","- C118 H138 Cl2 Li2 N6 O14 Ru6 -","2","1","","Holger Piotrowski; Kurt Polborn; Gerhard Hilt; Kay Severin","A Self-Assembled Metallomacrocyclic Ionophore with High Affinity and Selectivity for Li+ and Na+","Journal of the American Chemical Society","2001","123","","2699","2700","10.1021/ja005804t","","","0.71073","MoKα","","0.0588","0.038","","","0.1064","0.1498","","","","","","1.198","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115465","10.9561","0.0009","8.4306","0.0005","21.382","0.002","90","","94.836","0.011","90","","1967.9","0.3","220","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dibutylamino-thiophen-2-ylmethylene-4-methyl-2,6-dioxo- 1,2,5,6-tetrahydropyridine-3-carbonitrile","","","- C20 H25 N3 O2 S -","- C20 H25 N3 O2 S -","- C80 H100 N12 O8 S4 -","4","1","","Frank Würthner; Sheng Yao; Joachim Schilling; Rüdiger Wortmann; Mesfin Redi-Abshiro; Erwin Mecher; Francisco Gallego-Gomez; Klaus Meerholz","ATOP Dyes. Optimization of a Multifunctional Merocyanine Chromophore for High Refractive Index Modulation in Photorefractive Materials","Journal of the American Chemical Society","2001","123","","2810","2824","10.1021/ja002321g","","","0.71073","MoKα","","0.0658","0.0405","","","0.0975","0.1043","","","","","","0.92","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115466","17.6048","0.0006","17.6048","0.0006","26.653","0.001","90","","90","","120","","7153.8","0.4","173.2","","","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C98 H80 As3 La O9 -","- C101 H68 As3 La O11 -","- C303 H204 As9 La3 O33 -","3","0.5","","Tetsuhiro Nemoto; Takashi Ohshima; Kentaro Yamaguchi; Masakatsu Shibasaki","Catalytic Asymmetric Epoxidation of Enones Using La-BINOL-Triphenylarsine Oxide Complex: Structural Determination of the Asymmetric Catalyst","Journal of the American Chemical Society","2001","123","","2725","2732","10.1021/ja004201e","","","0.7107","MoKα","","","0.0544","","","","0.082","","","","","","1.845","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115467","9.0758","0.0002","20.0931","0.0005","9.8574","0.0002","90","","109.627","0.002","90","","1693.16","0.07","173.2","","173.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H41 F3 O3 Si -","- C38 H41 F3 O3 Si -","- C76 H82 F6 O6 Si2 -","2","1","","Atsushi Kawachi; Hirofumi Maeda; Hiroshi Nakamura; Noriyuki Doi; Kohei Tamao","Chirality Transfer during the [2,3]-sila-Wittig Rearrangement and Cyclopropanation Reaction of Optically Active [(sec-Allyloxy)silyl]lithiums","Journal of the American Chemical Society","2001","123","","3143","3144","10.1021/ja003749i","","","0.7107","MoKα","","0.0514","0.0514","","","0.0723","0.072","","","","","","0.976","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115468","11.1315","0.0011","11.4183","0.0011","12.4438","0.0013","106.269","0.012","105.153","0.012","111.573","0.011","1289","0.3","183","2","183","2","","","","","","","","6","P -1","-P 1","2","[K(cryptand)]H3BCO2H","Potassium (4,7,13,16,21,24-hexaoxa-1,10-diazobicyclo[8.8.8]hexacosane) boranocarbonate","","- C19 H40 B K N2 O8 -","- C19 H40 B K N2 O8 -","- C38 H80 B2 K2 N4 O16 -","2","1","","Roger Alberto; Kirstin Ortner; Nigel Wheatley; Roger Schibli; August P. Schubiger","Synthesis and Properties of Boranocarbonate: A Convenient in Situ CO Source for the Aqueous Preparation of [99mTc(OH2)3(CO)3]+","Journal of the American Chemical Society","2001","123","","3135","3136","10.1021/ja003932b","","","0.71073","MoKα","","0.0878","0.0448","","","0.0988","0.107","","","","","","0.821","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115469","15.134","0.003","47.621","0.008","22.431","0.004","90","","91.947","0.002","90","","16157","5","150","2","150","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C324 H368 B8 Cl4 La4 N20 O52 -","- C324 H278 B8 Cl4 La4 N20 O52 -","- C648 H556 B16 Cl8 La8 N40 O104 -","2","1","","De-Liang Long; Alexander J. Blake; Neil R. Champness; Claire Wilson; Martin Schröder","Lanthanum Coordination Networks Based on Unusual Five-Connected Topologies","Journal of the American Chemical Society","2001","123","","3401","3402","10.1021/ja0030461","","","0.71073","MoKα","","0.111","0.091","","","0.22","0.23","","","","","","1.11","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4115470","48.422","0.007","21.958","0.003","15.814","0.002","90","","90","","90","","16814","4","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C92.5 H98 B3 La N5 O12.5 -","- C92.505 H92 B3 La N5 O12.51 -","- C740.04 H736 B24 La8 N40 O100.08 -","8","1","","De-Liang Long; Alexander J. Blake; Neil R. Champness; Claire Wilson; Martin Schröder","Lanthanum Coordination Networks Based on Unusual Five-Connected Topologies","Journal of the American Chemical Society","2001","123","","3401","3402","10.1021/ja0030461","","","0.71073","MoKα","","0.134","0.081","","","0.164","0.192","","","","","","1.147","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4115471","15.963","0.001","11.278","0.001","15.269","0.001","90","","93.842","0.004","90","","2742.7","0.3","123.2","","123.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 O3 P -","- C31 H37 O3 P -","- C124 H148 O12 P4 -","4","1","","Junji Kobayashi; Kei Goto; Takayuki Kawashima","5-Carbaphosphatranes: The First Main Group Atrane Bearing a 1-5 Covalent Bond","Journal of the American Chemical Society","2001","123","","3387","3388","10.1021/ja0056264","","","0.7107","MoKα","","0.0907","0.055","","0.113","","0.058","","","7.541","","","3.84","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115472","23.5389","0.0009","23.5389","0.0009","12.1031","0.0007","90","","90","","90","","6706.1","0.5","153","2","153","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","clathrate-III","","","- Cs3.75 Na0.31 Sn20.33 -","- Cs3.75 Na0.305 Sn20.33 -","- Cs30 Na2.44 Sn162.64 -","8","0.5","","Svilen Bobev; Slavi C. Sevov","Clathrate III of Group 14 Exists After All","Journal of the American Chemical Society","2001","123","","3389","3390","10.1021/ja010010f","","","0.71073","MoKα","","0.0592","0.0546","","","0.0999","0.1041","","","","","","1.304","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115473","23.5566","0.0009","23.5566","0.0009","12.104","0.0009","90","","90","","90","","6716.7","0.6","293","2","293","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","clathrate-III","","","- Cs3.75 Na0.36 Sn20.29 -","- Cs3.75 Na0.37 Sn20.29 -","- Cs30 Na2.96 Sn162.32 -","8","0.5","","Svilen Bobev; Slavi C. Sevov","Clathrate III of Group 14 Exists After All","Journal of the American Chemical Society","2001","123","","3389","3390","10.1021/ja010010f","","","0.71073","MoKα","","0.1037","0.0824","","","0.1534","0.1611","","","","","","1.204","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115474","23.49","0.001","23.49","0.001","12.087","0.001","90","","90","","90","","6669.4","0.7","293","2","293","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","clathrate-III","","","- Cs1.72 Na0.35 Rb2.03 Sn20.31 -","- Cs1.712 Na0.345 Rb2.038 Sn20.305 -","- Cs13.696 Na2.76 Rb16.304 Sn162.44 -","8","0.5","","Svilen Bobev; Slavi C. Sevov","Clathrate III of Group 14 Exists After All","Journal of the American Chemical Society","2001","123","","3389","3390","10.1021/ja010010f","","","0.71073","MoKα","","0.0987","0.0542","","","0.0761","0.0861","","","","","","1.058","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115475","13.06","0.003","19.961","0.006","19.985","0.006","90","","90","","90","","5210","3","291","2","291","2","","","","","","","synthesis as described","6","F 2 2 2","F 2 2","22","","","","- C14 H10 Cl0.5 K0.5 Mo O8 -","- C14 H6 Cl0.5 K0.5 Mo O8 -","- C112 H48 Cl4 K4 Mo8 O64 -","8","0.5","","Teerayuth Liwporncharoenvong; Rudy L. Luck","Quadruply Bonded Dimolybdenum Atoms Surrounded by Dendrons: Preparation, Characterization, and Electrochemistry","Journal of the American Chemical Society","2001","123","","3615","3616","10.1021/ja0155130","","x-ray","0.71073","Mokα","","0.1034","0.079","","","0.2367","0.2517","","","","","","1.212","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115476","23.873","0.005","11.955","0.004","22.234","0.004","90","","116.47","0.01","90","","5680","3","296.2","","296.2","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C53 H69 O3 P Pd2 Ru2 S4 Ti2 -","- C53 H57 O3 P Pd2 Ru2 S4 Ti2 -","- C212 H228 O12 P4 Pd8 Ru8 S16 Ti8 -","4","1","","Shigeki Kuwata; Shin-ichiro Kabashima; Youichi Ishii; Masanobu Hidai","A Ti2Ru2Pd2 Oxo-Sulfido Cluster Synthesized by Linking Two Rationally Preorganized TiRuPdS2 Heterotrimetallic Units with an Oxo Ligand: Its Reaction with an Alkyne","Journal of the American Chemical Society","2001","123","","3826","3827","10.1021/ja0040666","","","0.7107","MoKα","","0.0405","0.0405","","","0.0471","0.0471","","","","","","1.539","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115477","25.129","0.004","25.477","0.004","18.786","0.003","90","","90","","90","","12027","3","294.2","","294.2","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C58 H71 O6 P Pd2 Ru2 S4 Ti2 -","- C58 H71 O6 P Pd2 Ru2 S4 Ti2 -","- C464 H568 O48 P8 Pd16 Ru16 S32 Ti16 -","8","1","","Shigeki Kuwata; Shin-ichiro Kabashima; Youichi Ishii; Masanobu Hidai","A Ti2Ru2Pd2 Oxo-Sulfido Cluster Synthesized by Linking Two Rationally Preorganized TiRuPdS2 Heterotrimetallic Units with an Oxo Ligand: Its Reaction with an Alkyne","Journal of the American Chemical Society","2001","123","","3826","3827","10.1021/ja0040666","","","0.7107","MoKα","","0.0476","0.0476","","","0.0479","0.0479","","","","","","1.464","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115478","8.598","0.002","12.995","0.003","13.081","0.002","75.36","0.02","87.35","0.02","82.3","0.02","1401.2","0.5","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 F3 O3 S9 -","- C21 H24 F3 O3 S9 -","- C42 H48 F6 O6 S18 -","2","1","","Michel Giffard; Gilles Mabon; Emmanuel Leclair; Nicolas Mercier; Magali Allain; Alain Gorgues; Philippe Molinié; Ojars Neilands; Pnina Krief; Vladimir Khodorkovsky","Oxidation of TTF Derivatives Using (Diacetoxyiodo)benzene: a General Chemical Route toward Cation Radicals, Dications, and Nonstoichiometric Salts","Journal of the American Chemical Society","2001","123","","3852","3853","10.1021/ja0058839","","","0.71073","Mo-Kα","","0.139","0.047","","0.155","","0.069","","","2.697","","","1.152","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115479","21.53","0.007","7.9538","0.0009","15.846","0.006","90","","72.79","0.04","90","","2592.1","1.4","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F6 O7 S10 -","- C14 H8 F6 O7 S10 -","- C56 H32 F24 O28 S40 -","4","1","","Michel Giffard; Gilles Mabon; Emmanuel Leclair; Nicolas Mercier; Magali Allain; Alain Gorgues; Philippe Molinié; Ojars Neilands; Pnina Krief; Vladimir Khodorkovsky","Oxidation of TTF Derivatives Using (Diacetoxyiodo)benzene: a General Chemical Route toward Cation Radicals, Dications, and Nonstoichiometric Salts","Journal of the American Chemical Society","2001","123","","3852","3853","10.1021/ja0058839","","","0.71073","Mo-Kα","","0.183","0.047","","0.223","","0.064","","","4.48","","","1.254","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115480","18.704","0.003","18.704","0.003","3.7792","0.0007","90","","90","","120","","1145","0.3","299","1","299","1","","","","","","","Synthesized in the laboratory of R. C. Haddon.","2","R 3 m :H","R 3 -2""","160","Perchlorophenalenyl","Perchlorophenalenyl","","- C13 Cl9 -","- C13 Cl9 -","- C39 Cl27 -","3","0.166667","","P. A. Koutentis; Y. Chen; Y. Cao; T. P. Best; M. E. Itkis; L. Beer; R. T. Oakley; A. W. Cordes; C. P. Brock; R. C. Haddon","Perchlorophenalenyl Radical","Journal of the American Chemical Society","2001","123","","3864","3871","10.1021/ja0018015","","","0.71073","MoKα","","0.041","0.04","","","0.1","0.1","","","","","","1.07","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115481","13.328","0.0013","17.41","0.0017","29.76","0.003","90","0.009","90","0.009","90","0.009","6905.5","1.2","100","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C56 H98 O36.078 -","- C56 H98 O36.079 -","- C224 H392 O144.316 -","4","1","","John J. Stezowski; William Parker; Sherri Hilgenkamp; Maria Gdaniec","Pseudopolymorphism in Tetradeca-2,6-O-methyl-β-cyclodextrin: The Crystal Structures for Two New Hydrates Conformational Variability in the Alkylated β-Cyclodextrin Molecule","Journal of the American Chemical Society","2001","123","","3919","3926","10.1021/ja002164l","","","0.71073","MoKα","","0.117","0.07","","0.154","","0.116","","","1.154","","","1.29","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4115482","13.976","0.007","20.763","0.007","28.807","0.008","90","","90","","90","","8359","6","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C56 H97 O49.7 -","- C56 H97 O49.7 -","- C224 H388 O198.8 -","4","1","","John J. Stezowski; William Parker; Sherri Hilgenkamp; Maria Gdaniec","Pseudopolymorphism in Tetradeca-2,6-O-methyl-β-cyclodextrin: The Crystal Structures for Two New Hydrates Conformational Variability in the Alkylated β-Cyclodextrin Molecule","Journal of the American Chemical Society","2001","123","","3919","3926","10.1021/ja002164l","","","0.71073","MoKα","","0.133","0.088","","0.166","","0.142","","","1.24","","","1.545","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4115483","12.635","0.004","21.115","0.006","29.197","0.008","91.602","0.006","102.387","0.006","91.953","0.006","7599","4","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","K(K-crypt)5[Bi3Mo2(CO)6]2*3en","","- C108 H204 Bi6 K6 Mo4 N16 O42 -","- C108 H204.04 Bi6 K6 Mo4 N16 O42 -","- C216 H408.08 Bi12 K12 Mo8 N32 O84 -","2","1","","Li Xu; Angel Ugrinov; Slavi C. Sevov","Stabilization of Ozone-like [Bi3]3- in the Heteroatomic closo-Clusters [Bi3Cr2(CO)6]3- and [Bi3Mo2(CO)6]3-","Journal of the American Chemical Society","2001","123","","4091","4092","10.1021/ja0038732","","","0.71073","MoKα","","0.1724","0.1303","","","0.3148","0.3386","","","","","","1.088","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115484","12.679","0.003","17.724","0.002","18.254","0.002","71.31","0.01","81.37","0.03","78.82","0.02","3794.9","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","K(K-crypt)5[Bi3Cr2(CO)6]2*3en","","- C106 H196 Bi6 Cr4 K6 N14 O42 -","- C106 H196.02 Bi6 Cr4 K6 N14 O42 -","- C106 H196.02 Bi6 Cr4 K6 N14 O42 -","1","0.5","","Li Xu; Angel Ugrinov; Slavi C. Sevov","Stabilization of Ozone-like [Bi3]3- in the Heteroatomic closo-Clusters [Bi3Cr2(CO)6]3- and [Bi3Mo2(CO)6]3-","Journal of the American Chemical Society","2001","123","","4091","4092","10.1021/ja0038732","","","0.71073","MoKα","","0.1899","0.0765","","","0.1665","0.2175","","","","","","1.002","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115485","12.4636","0.0007","19.092","0.001","25.5423","0.0014","104.284","0.001","92.547","0.001","100.368","0.001","5768.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H83.5 Mo6 N3 O18.25 -","- C43 H80.14 Mo6 N3 O18.25 -","- C172 H320.56 Mo24 N12 O73 -","4","2","","Yongge Wei; Bubin Xu; Charles L. Barnes; Zhonghua Peng","An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates","Journal of the American Chemical Society","2001","123","","4083","4084","10.1021/ja004033q","","","0.71073","MoKα","","0.0936","0.054","","","0.1235","0.1437","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115486","12.4358","0.0005","19.0658","0.0008","25.4922","0.0011","103.726","0.001","92.319","0.001","99.787","0.001","5765.5","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H83 I Mo6 N3 O18.5 -","- C41.5 H80.53 I Mo6 N3 O18.5 -","- C166 H322.12 I4 Mo24 N12 O74 -","4","2","","Yongge Wei; Bubin Xu; Charles L. Barnes; Zhonghua Peng","An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates","Journal of the American Chemical Society","2001","123","","4083","4084","10.1021/ja004033q","","","0.71073","MoKα","","0.0728","0.0564","","","0.1457","0.1566","","","","","","1.067","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115487","12.1352","0.001","12.4919","0.001","19.6515","0.0016","107.323","0.001","97.324","0.001","100.018","0.001","2749.1","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H81 Mo6 N3 O18 -","- C40 H81 Mo6 N3 O18 -","- C80 H162 Mo12 N6 O36 -","2","1","","Yongge Wei; Bubin Xu; Charles L. Barnes; Zhonghua Peng","An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates","Journal of the American Chemical Society","2001","123","","4083","4084","10.1021/ja004033q","","","0.71073","MoKα","","0.0924","0.068","","","0.1549","0.1663","","","","","","1.064","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115488","13.3842","0.0007","17.2197","0.0009","16.3424","0.0009","90","","100.512","0.001","90","","3703.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H114 Mo8 N6 O28 -","- C50 H114 Mo8 N6 O28 -","- C100 H228 Mo16 N12 O56 -","2","0.5","","Yongge Wei; Bubin Xu; Charles L. Barnes; Zhonghua Peng","An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates","Journal of the American Chemical Society","2001","123","","4083","4084","10.1021/ja004033q","","","0.71073","MoKα","","0.0298","0.0231","","","0.0591","0.0614","","","","","","1.104","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115489","16.633","0.002","14.7594","0.0014","23.571","0.002","90","","90","","90","","5786.5","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","cis-Dimethyl(bis(dicyclohexylphosphino)methane)palladium(II)","","- C27 H52 P2 Pd -","- C27 H52 P2 Pd -","- C216 H416 P16 Pd8 -","8","1","","Steven M. Reid; Joel T. Mague; Mark J. Fink","Facile Reductive Elimination of Ethane from Strained Dimethylpalladium(II) Complexes","Journal of the American Chemical Society","2001","123","","4081","4082","10.1021/ja0056062","","","0.71073","MoKα","","0.1015","0.039","","","0.1004","0.1202","","","","","","1.019","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115490","16.3049","0.0014","19.636","0.002","16.8965","0.0018","90","","105.713","0.01","90","","5207.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Mu-bis(bis(dicyclohexylphosphino)methane)dipalladium(Pd-Pd)","","- C50 H92 P4 Pd2 -","- C50 H92 P4 Pd2 -","- C200 H368 P16 Pd8 -","4","1","","Steven M. Reid; Joel T. Mague; Mark J. Fink","Facile Reductive Elimination of Ethane from Strained Dimethylpalladium(II) Complexes","Journal of the American Chemical Society","2001","123","","4081","4082","10.1021/ja0056062","","","0.71073","MoKα","","0.1303","0.0386","","","0.0948","0.1112","","","","","","1.061","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115491","12.4484","0.0013","11.1542","0.0009","16.7454","0.0013","90","","103.242","0.007","90","","2263.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis-Tetramethylbis(mu-bis(dimethylphosphino)methane)dipalladium(II)","","- C7 H20 P2 Pd -","- C7 H20 P2 Pd -","- C56 H160 P16 Pd8 -","8","2","","Steven M. Reid; Joel T. Mague; Mark J. Fink","Facile Reductive Elimination of Ethane from Strained Dimethylpalladium(II) Complexes","Journal of the American Chemical Society","2001","123","","4081","4082","10.1021/ja0056062","","","0.71073","MoKα","","0.0421","0.0241","","","0.062","0.066","","","","","","1.073","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115492","14.687","0.0003","20.6491","0.0003","27.5075","0.0002","90","","90","","90","","8342.3","0.2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C99 H90 Cl4 N4 Ru -","- C99 H90 Cl4 N4 Ru -","- C396 H360 Cl16 N16 Ru4 -","4","1","","Chi-Ming Che; Jie-Sheng Huang; Fu-Wa Lee; Yan Li; Tat-Shing Lai; Hoi-Lun Kwong; Pang-Fei Teng; Wing-Sze Lee; Wai-Cheung Lo; Shie-Ming Peng; Zhong-Yuan Zhou","Asymmetric Inter- and Intramolecular Cyclopropanation of Alkenes Catalyzed by Chiral Ruthenium Porphyrins. Synthesis and Crystal Structure of a Chiral Metalloporphyrin Carbene Complex","Journal of the American Chemical Society","2001","123","","4119","4129","10.1021/ja001416f","","","0.71073","MoKα","","0.1421","0.0808","","0.2101","0.1756","","","","1.017","1.081","1.081","","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115493","14.2648","0.0011","18.1252","0.0014","16.7048","0.0013","90","","98.612","0.002","90","","4270.4","0.6","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C98 H92 Cl6 N4 O2 Ru -","- C98 H81 Cl7 N4 O2 Ru -","- C196 H162 Cl14 N8 O4 Ru2 -","2","1","","Chi-Ming Che; Jie-Sheng Huang; Fu-Wa Lee; Yan Li; Tat-Shing Lai; Hoi-Lun Kwong; Pang-Fei Teng; Wing-Sze Lee; Wai-Cheung Lo; Shie-Ming Peng; Zhong-Yuan Zhou","Asymmetric Inter- and Intramolecular Cyclopropanation of Alkenes Catalyzed by Chiral Ruthenium Porphyrins. Synthesis and Crystal Structure of a Chiral Metalloporphyrin Carbene Complex","Journal of the American Chemical Society","2001","123","","4119","4129","10.1021/ja001416f","","","0.71073","MoKα","","0.0804","0.0614","","","0.1518","0.163","","","","","","0.96","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115494","8.503","0.002","17.34","0.005","6.5329","0.0013","94.07","0.02","110.73","0.02","89.36","0.02","898.5","0.4","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 F6 P S16 -","- C24 H24 F6 P0.5 S16 -","- C24 H24 F6 P0.5 S16 -","1","0.5","","Jun-ichi Yamada; Maki Watanabe; Hiroki Akutsu; Shin'ichi Nakatsuji; Hiroyuki Nishikawa; Isao Ikemoto; Koichi Kikuchi","New Organic Superconductors β-(BDA-TTP)2X [BDA-TTP = 2,5-Bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene; X-= SbF6-, AsF6-, and PF6-]","Journal of the American Chemical Society","2001","123","","4174","4180","10.1021/ja002290p","","","0.7107","MoKα","","0.0559","0.056","","0.054","","0.054","","","1.985","","","1.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115495","8.523","0.003","17.449","0.005","6.518","0.002","93.95","0.02","110.74","0.02","89.13","0.02","904.3","0.5","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 As F6 S16 -","- C24 H24 As0.5 F6 S16 -","- C24 H24 As0.5 F6 S16 -","1","0.5","","Jun-ichi Yamada; Maki Watanabe; Hiroki Akutsu; Shin'ichi Nakatsuji; Hiroyuki Nishikawa; Isao Ikemoto; Koichi Kikuchi","New Organic Superconductors β-(BDA-TTP)2X [BDA-TTP = 2,5-Bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene; X-= SbF6-, AsF6-, and PF6-]","Journal of the American Chemical Society","2001","123","","4174","4180","10.1021/ja002290p","","","0.7107","MoKα","","0.0562","0.056","","0.063","","0.063","","","2.053","","","2.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115496","8.579","0.001","17.636","0.002","6.514","0.001","93.79","0.01","110.75","0.01","89","0.01","919.6","0.2","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 F6 S16 Sb -","- C24 H24 F6 S16 Sb0.5 -","- C24 H24 F6 S16 Sb0.5 -","1","0.5","","Jun-ichi Yamada; Maki Watanabe; Hiroki Akutsu; Shin'ichi Nakatsuji; Hiroyuki Nishikawa; Isao Ikemoto; Koichi Kikuchi","New Organic Superconductors β-(BDA-TTP)2X [BDA-TTP = 2,5-Bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene; X-= SbF6-, AsF6-, and PF6-]","Journal of the American Chemical Society","2001","123","","4174","4180","10.1021/ja002290p","","","0.7107","MoKα","","0.0377","0.038","","0.034","","0.034","","","1.966","","","1.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115497","7.3915","0.0015","3.7723","0.0008","6.9434","0.0014","90","","90","","90","","193.6","0.07","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Te Zr -","- Te Zr -","- Te4 Zr4 -","4","0.5","","Gissur Örlygsson; Bernd Harbrecht","Structure, Properties, and Bonding of ZrTe (MnP Type), a Low-Symmetry, High-Temperature Modification of ZrTe (WC Type)","Journal of the American Chemical Society","2001","123","","4168","4173","10.1021/ja004164r","","","0.71073","MoKα","","0.0215","0.0212","","","0.0519","0.0519","","","","","","1.208","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115498","13.296","0.001","11.8738","0.0009","19.282","0.002","90","0.005","100.581","0.002","90","0.005","2992.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N2 O4 Pt Se2 -","- C32 H30 N2 O4 Pt Se2 -","- C128 H120 N8 O16 Pt4 Se8 -","4","1","","Vincenzo G. Albano; Magda Monari; Ida Orabona; Achille Panunzi; Francesco Ruffo","Oxidative Additions of E-E Bonds (E = Chalcogen) to Group 10 Metals: ""Tunable"" Cleavage of Se-Se Bonds by Pt(0) Complexes","Journal of the American Chemical Society","2001","123","","4352","4353","10.1021/ja005870v","","","0.71069","MoKα","","0.0766","0.0345","","","0.0616","0.0688","","","","","","0.783","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115499","7.5299","0.0006","12.4646","0.001","21.4301","0.0018","90","","90","","90","","2011.4","0.3","173","2","173","2","","","","","","","","5","C m c m","-C 2c 2","63","bis(guanidinium)-1,4-benzenedisulfonate, tetrahydrofuran clathrate","","","- C12 H24 N6 O7 S2 -","- C12 H24 N6 O7 S2 -","- C48 H96 N24 O28 S8 -","4","0.25","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0333","0.0318","","","0.0875","0.0883","","","","","","1.097","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115500","7.6465","0.0006","11.6218","0.0009","17.625","0.0013","90","","96.211","0.001","90","","1557.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(guanidinium)-1,4-benzenedisulfonate, benzene clathrate","","","- C13 H17 N3 O3 S -","- C13 H17 N3 O3 S -","- C52 H68 N12 O12 S4 -","4","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0514","0.0418","","","0.113","0.1158","","","","","","1.19","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115501","13.4285","0.0009","12.5989","0.0009","17.785","0.0012","90","","90","","90","","3008.9","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-1,4-benzenedisulfonate, p-xylene clathrate","","","- C12 H18 N3 O3 S -","- C12 H18 N3 O3 S -","- C96 H144 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0498","0.0344","","","0.0971","0.1031","","","","","","1.057","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115502","13.1459","0.0008","12.4292","0.0008","18.8824","0.0012","90","","90","","90","","3085.3","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-1,4-benzenedisulfonate, o-xylene clathrate","","","- C12 H18 N3 O3 S -","- C12 H18 N3 O3 S -","- C96 H144 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0608","0.0424","","","0.1201","0.1276","","","","","","1.081","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115503","13.36","0.001","12.6471","0.001","18.1682","0.0014","90","","90","","90","","3069.8","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-1,4-benzenedisulfonate, naphthalene clathrate","","","- C14 H16 N3 O3 S -","- C14 H16 N3 O3 S -","- C112 H128 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.055","0.0326","","","0.0795","0.0851","","","","","","1.026","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115504","6.2166","0.0003","7.1847","0.0004","13.1213","0.0007","74.725","0.001","83.331","0.001","85.826","0.001","560.98","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium)-2,6-naphthalenedisulfonate, benzene clathrate","","","- C9 H12 N3 O3 S -","- C9 H12 N3 O3 S -","- C18 H24 N6 O6 S2 -","2","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0395","0.0338","","","0.0882","0.0908","","","","","","1.037","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115505","7.2609","0.0009","7.4075","0.0009","13.1537","0.0016","89.189","0.002","77.186","0.002","62.193","0.002","606.91","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium)-2,6-naphthalenedisulfonate, benzene clathrate","","","- C10 H14 N3 O3 S -","- C10 H14 N3 O3 S -","- C20 H28 N6 O6 S2 -","2","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0414","0.0343","","","0.0941","0.098","","","","","","1.075","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115506","7.5334","0.0006","12.2651","0.0009","20.6209","0.0016","90","","96.645","0.001","90","","1892.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(guanidinium)-2,6-naphthalenedisulfonate, o-xylene clathrate","","","- C18 H24 N3 O3 S -","- C18 H24 N3 O3 S -","- C72 H96 N12 O12 S4 -","4","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0516","0.0403","","","0.111","0.1167","","","","","","1.022","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115507","13.3756","0.0003","12.4586","0.0003","22.304","0.0005","90","","90","","90","","3716.77","0.15","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-2,6-naphthalenedisulfonate, 1-methylnaphthalene clathrate","","","- C17 H19 N3 O3 S -","- C17 H19 N3 O3 S -","- C136 H152 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0758","0.0568","","","0.1569","0.1709","","","","","","1.047","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115508","13.4471","0.0004","12.1155","0.0004","23.9856","0.0007","90","","90","","90","","3907.7","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-2,6-naphthalenedisulfonate, pyrene clathrate","","","- C22 H19 N3 O3 S -","- C22 H19 N3 O3 S -","- C176 H152 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0545","0.0371","","","0.0869","0.0927","","","","","","1.019","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115509","13.6864","0.0007","12.4544","0.0007","26.4727","0.0014","90","","90","","90","","4512.4","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-4,4'-biphenyldisulfonate, perylene clathrate","","","- C54 H44 N6 O6 S2 -","- C54 H44 N6 O6 S2 -","- C216 H176 N24 O24 S8 -","4","0.5","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0773","0.0422","","","0.1054","0.1155","","","","","","1.021","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115510","6.2024","0.0004","7.1901","0.0005","15.1836","0.001","80.859","0.001","82.235","0.001","85.208","0.001","661.06","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium) 2,6-anthracenedisulfonate, p-xylene clathrate","","","- C12 H15 N3 O3 S -","- C12 H15 N3 O3 S -","- C24 H30 N6 O6 S2 -","2","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0433","0.0363","","","0.0964","0.0998","","","","","","1.07","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115511","6.2001","0.0005","7.3015","0.0006","15.145","0.0013","103.134","0.002","94.777","0.001","93.607","0.002","662.99","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium)-2,6-anthracenedisulfonate, o-xylene clathrate","","","- C12 H15 N3 O3 S -","- C12 H15 N3 O3 S -","- C24 H30 N6 O6 S2 -","2","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0469","0.0381","","","0.1008","0.1047","","","","","","1.064","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115512","7.4472","0.001","9.8732","0.0013","20.756","0.003","90","","94.601","0.003","90","","1521.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(guanidinium) 2,6-anthracenedisulfonate, pyrene clathrate","","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C64 H60 N12 O12 S4 -","4","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0679","0.0413","","","0.0967","0.104","","","","","","0.905","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115513","7.4697","0.0008","26.627","0.003","11.8358","0.0012","90","","92.1","0.002","90","","2352.5","0.4","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","bis(guanidinium) 2,6-anthracenedisulfonate, biphenyl clathrate","","","- C52 H50 N6 O6 S2 -","- C52 H50 N6 O6 S2 -","- C104 H100 N12 O12 S4 -","2","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0924","0.0457","","","0.0702","0.0785","","","","","","0.812","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115514","13.7891","0.0012","12.3034","0.001","26.784","0.002","90","","90","","90","","4544","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium) 2,6-anthracenedisulfonate, perylene clathrate","","","- C28 H22 N3 O3 S -","- C28 H22 N3 O3 S -","- C224 H176 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0917","0.0439","","","0.0898","0.0998","","","","","","0.864","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115515","12.6576","0.0012","42.116","0.004","11.5962","0.0011","90","","90","","90","","6181.8","1","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","bis(guanidinium) 1,8-octanedisulfonate","","","- C10 H28 N6 O6 S2 -","- C10 H28 N6 O6 S2 -","- C120 H336 N72 O72 S24 -","12","3","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0947","0.0541","","","0.131","0.1455","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115516","14.426","0.0011","7.4303","0.0006","22.4383","0.0017","90","","90","","90","","2405.2","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(guanidinium) 1,8-octanedisulfonate, hexane clathrate","","","- C16 H42 N6 O6 S2 -","- C13.86 H12 N6 O6 S2 -","- C55.44 H48 N24 O24 S8 -","4","0.5","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0967","0.0666","","","0.2163","0.2372","","","","","","1.075","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115517","7.5011","0.0009","12.0916","0.0018","29.989","0.004","84.585","0.011","86.477","0.009","89.229","0.01","2702.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium) 4,4'-diphenyletherdisulfonate, toluene clathrate","","","- C21 H28 N6 O7 S2 -","- C21 H28 N6 O7 S2 -","- C84 H112 N24 O28 S8 -","4","2","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.1195","0.0511","","","0.1035","0.1156","","","","","","0.877","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115518","7.4659","0.0004","13.7874","0.0008","29.0841","0.0016","90","","90","","90","","2993.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis(guanidinium) 4,4'-diphenyletherdisulfonate, acetonitrile clathrate","","","- C20 H29 N9 O7 S2 -","- C20 H29 N9 O7 S2 -","- C80 H116 N36 O28 S8 -","4","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0668","0.0564","","","0.1453","0.1493","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115519","7.5839","0.0004","14.228","0.0008","27.7485","0.0016","90","","90","","90","","2994.2","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis(guanidinium) 4,4'-diphenyletherdisulfonate, mesitylene, methanol clathrate","","","- C24 H36 N6 O8 S2 -","- C24 H36 N6 O8 S2 -","- C96 H144 N24 O32 S8 -","4","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0553","0.0408","","","0.1044","0.1095","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115520","7.5013","0.001","20.576","0.003","15.796","0.002","90","","90","","90","","2438.1","0.6","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","bis(guanidinium) mesitylenedisulfonate, aceteone and methanol clathrate","","","- C15 H32 N6 O8 S2 -","- C15 H32 N6 O8 S2 -","- C60 H128 N24 O32 S8 -","4","0.5","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0342","0.0317","","","0.0823","0.0833","","","","","","1.098","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115521","21.1037","0.0008","7.5867","0.0004","19.3182","0.0008","90","","90","","90","","3093","0.2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(guanidinium) 2-methoxy-4,6-dimethyl-1,5-benzenedisulfonate, tetrahydrofuran clathrate","","","- C9.5 H19 N3 O4.5 S -","- C9.5 H19 N3 O4.5 S -","- C76 H152 N24 O36 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.1901","0.0967","","","0.2432","0.2827","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115522","24.365","0.003","28.629","0.004","15.257","0.001","90","","90","","90","","10642","2","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C29 H24 N4 O9 -","- C29 H24 N4 O9 -","- C464 H384 N64 O144 -","16","0.5","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.0881","0.0689","","","0.1821","0.1969","","","","","","1.163","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115523","13.139","0.006","13.139","0.006","23.087","0.013","90","","90","","90","","3986","3","294","2","294","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C39.5 H28 N6 O13 -","- C39.5 H28 N6 O13 -","- C158 H112 N24 O52 -","4","0.5","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.2288","0.1463","","","0.4051","0.4464","","","","","","1.335","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115524","13.055","0.0018","13.055","0.0018","22.754","0.005","90","","90","","90","","3878","1.1","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C29 H19.33 N4.67 O9.33 -","- C29 H19.3333 N4.66667 O9.33333 -","- C174 H116 N28 O56 -","6","0.75","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1339","0.0565","","","0.1046","0.1451","","","","","","1.047","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115525","18.34","0.002","15.68","0.002","18.216","0.002","90","","90","","90","","5238.4","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C57 H39 Br N8 O17 -","- C56 H36 Br N8 O17 -","- C224 H144 Br4 N32 O68 -","4","0.5","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.2805","0.0651","","","0.1732","0.2389","","","","","","0.904","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115526","18.236","0.002","15.685","0.001","18.191","0.001","90","","90","","90","","5203.2","0.7","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28.5 H20 N4 O8.5 -","- C28.5 H18 N4 O8.5 -","- C228 H144 N32 O68 -","8","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1113","0.0792","","","0.1711","0.1884","","","","","","1.218","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115527","18.257","0.004","15.668","0.003","18.333","0.004","90","","90","","90","","5244.2","1.9","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 H21 N4 O8.5 -","- C29 H21 N4 O8.5 -","- C232 H168 N32 O68 -","8","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.2195","0.0775","","","0.2171","0.2392","","","","","","0.99","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115528","18.246","0.004","15.668","0.003","18.237","0.004","90","","90","","90","","5213.6","1.9","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 H21 N4 O8 -","- C29 H21 N4 O8 -","- C232 H168 N32 O64 -","8","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.172","0.055","","","0.1343","0.2","","","","","","1.306","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115529","18.228","0.004","15.645","0.003","18.205","0.004","90","","90","","90","","5191.6","1.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H36 Cl N8 O16 -","- C56 H36 Cl N8 O16 -","- C224 H144 Cl4 N32 O64 -","4","0.5","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1395","0.0605","","","0.1629","0.2103","","","","","","1.153","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115530","22.276","0.001","22.276","0.001","25.348","0.001","90","","90","","120","","10893","0.8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C25.33333 H16.33333 Cl N4 O8 -","- C25.3333 H16.3333 Cl N4 O8 -","- C456 H294 Cl18 N72 O144 -","18","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1455","0.0483","","0.1616","0.1331","","","","1.036","1.284","1.284","","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4115531","15.437","0.002","15.437","0.002","15.437","0.002","93.02","0.01","93.02","0.01","93.02","0.01","3662.8","0.8","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C25.33333 H16.33333 Br N4 O8 -","- C25.3333 H16.3333 Br N4 O8 -","- C152 H98 Br6 N24 O48 -","6","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1067","0.0704","","","0.1301","0.1434","","","","","","1.228","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4115532","15.427","0.002","15.427","0.002","15.427","0.002","91.73","0.01","91.73","0.01","91.73","0.01","3666.4","0.8","293","2","293","2","","","","","","","","4","R -3 :R","-P 3*","148","","","","- C26 H18.33 N4.33 O8.33 -","- C26 H18.34 N4.33333 O8.33333 -","- C156 H110.04 N26 O50 -","6","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.0886","0.0696","","","0.1707","0.1835","","","","","","1.173","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115533","9.968","0.001","13.147","0.001","15.747","0.001","72.4","0.01","80.83","0.01","88.49","0.01","1941.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H40 N4 O8 -","- C43 H40 N4 O8 -","- C86 H80 N8 O16 -","2","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.087","0.0711","","","0.1981","0.2139","","","","","","1.109","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115534","10.9385","0.0006","10.9385","0.0006","15.9633","0.0012","90","","90","","90","","1910","0.2","294","2","294","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C33 H27 N5 O8 -","- C33 H18 N5 O8 -","- C66 H36 N10 O16 -","2","0.25","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1272","0.1071","","","0.2829","0.2888","","","","","","1.946","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115535","18.642","0.003","18.706","0.004","34.164","0.006","90","","97.36","0.05","90","","11815","4","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H26 N4 O8 -","- C33 H26 N4 O8 -","- C528 H416 N64 O128 -","16","2","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.2244","0.0759","","","0.2183","0.2484","","","","","","0.919","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115536","9.886","0.001","37.5","0.004","6.5844","0.0007","90","","90","","90","","2441","0.4","212.8","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 O5 -","- C26 H44 O5 -","- C104 H176 O20 -","4","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0.0666","","","","0.1154","","","","","","1.553","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115537","17.829","0.01","18.906","0.004","8.282","0.001","90","","90","","90","","2791.7","1.7","288.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H47 N O5 -","- C28 H47 N O5 -","- C112 H188 N4 O20 -","4","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0.0599","","","","0.1553","","","","","","1.3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115538","17.772","0.003","19.183","0.003","8.406","0.001","90","","90","","90","","2865.8","0.7","288.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H47 N O5 -","- C28 H46 N O5 -","- C112 H184 N4 O20 -","4","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0.1147","","","","0.2602","","","","","","2.199","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115539","14.718","0.003","26.601","0.005","8.294","0.001","90","","90","","90","","3247.2","1","212.7","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H52 O6 -","- C34 H52 O6 -","- C136 H208 O24 -","4","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0.0852","","","","0.229","","","","","","1.217","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115540","14.101","0.002","8.036","0.002","15.75","0.01","90","","114.144","0.004","90","","1628.6","1.1","213.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H52 O6 -","- C36 H55 O6 -","- C72 H110 O12 -","2","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0.1013","","","","0.2499","","","","","","1.403","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115541","14.02","0.01","7.933","0.002","15.804","0.004","90","","109.07","0.05","90","","1661.3","1.4","209.8","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H54 O5 -","- C37 H54 O5 -","- C74 H108 O10 -","2","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0","","","","0.1896","","","","","","1.416","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115542","12.4478","0.0004","19.9561","0.0006","17.2865","0.0005","90","","110.752","0.001","90","","4015.5","0.2","293","2","188","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Fe(O2CarTol)2(tmeda)]","","","- C48 H50 Fe N2 O4 -","- C48 H50 Fe N2 O4 -","- C192 H200 Fe4 N8 O16 -","4","1","","Dongwhan Lee; Stephen J. Lippard","Oxidative N-Dealkylation of a Carboxylate-Bridged Diiron(II) Precursor Complex by Reaction with O2 Affords the Elusive {Fe2(μ-OH)2(μ-O2CR)}3+ Core of Soluble Methane Monooxygenase Hydroxylase","Journal of the American Chemical Society","2001","123","","4611","4612","10.1021/ja0100930","","","0.71073","MoKα","","0.0679","0.0406","","","0.0926","0.102","","","","","","1.024","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115543","11.6032","0.0003","14.0661","0.0002","15.2839","0.0004","101.305","0.001","108.13","0.001","108.161","0.001","2130.68","0.09","293","2","188","2","","","","","","","","6","P -1","-P 1","2","[Fe2(m-O2CArTol)2(O2CArTol)2(N,N-Me2en)2]","","","- C94 H92 Cl4 Fe2 N4 O8 -","- C94 H92 Cl3.844 Fe2 N4 O8 -","- C94 H92 Cl3.844 Fe2 N4 O8 -","1","0.5","","Dongwhan Lee; Stephen J. Lippard","Oxidative N-Dealkylation of a Carboxylate-Bridged Diiron(II) Precursor Complex by Reaction with O2 Affords the Elusive {Fe2(μ-OH)2(μ-O2CR)}3+ Core of Soluble Methane Monooxygenase Hydroxylase","Journal of the American Chemical Society","2001","123","","4611","4612","10.1021/ja0100930","","","0.71073","MoKα","","0.0566","0.0413","","","0.1042","0.112","","","","","","1.015","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115544","11.3953","0.0005","14.7207","0.0007","15.2957","0.0007","77.836","0.001","72.173","0.001","82.162","0.001","2380.64","0.19","188","2","188","2","","","","","","","","5","P -1","-P 1","2","[Fe2(m-O2CArTol)2(O2CArTol)2(N,N-Bn2en)2]","","","- C116 H104 Fe2 N4 O8 -","- C116 H104 Fe2 N4 O8 -","- C116 H104 Fe2 N4 O8 -","1","0.5","","Dongwhan Lee; Stephen J. Lippard","Oxidative N-Dealkylation of a Carboxylate-Bridged Diiron(II) Precursor Complex by Reaction with O2 Affords the Elusive {Fe2(μ-OH)2(μ-O2CR)}3+ Core of Soluble Methane Monooxygenase Hydroxylase","Journal of the American Chemical Society","2001","123","","4611","4612","10.1021/ja0100930","","","0.71073","MoKα","","0.1258","0.0553","","","0.1184","0.1447","","","","","","0.917","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115545","15.0043","0.0018","16.907","0.002","24.019","0.003","95.57","0.002","108.017","0.002","104.939","0.002","5493.9","1.2","188","2","188","2","","","","","","","","6","P -1","-P 1","2","[Fe2(m-OH)2(m-O2CArTol)(O2CArTol)3(N-Bnen)(N,N-Bn2en)]","","","- C123.5 H109 Cl2 Fe2 N4 O10 -","- C123.5 H109 Cl2 Fe2 N4 O10 -","- C247 H218 Cl4 Fe4 N8 O20 -","2","1","","Dongwhan Lee; Stephen J. Lippard","Oxidative N-Dealkylation of a Carboxylate-Bridged Diiron(II) Precursor Complex by Reaction with O2 Affords the Elusive {Fe2(μ-OH)2(μ-O2CR)}3+ Core of Soluble Methane Monooxygenase Hydroxylase","Journal of the American Chemical Society","2001","123","","4611","4612","10.1021/ja0100930","","","0.71073","MoKα","","0.0845","0.0546","","","0.157","0.179","","","","","","0.977","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115546","13.1394","0.0001","23.1711","0.0003","5.6267","0.0001","90","","90","","90","","1713.07","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C68 H100 N4 O20 -","4","1","","Bo Liang; David J. Richard; Padma S. Portonovo; Madeleine M. Joullié","Total Syntheses and Biological Investigations of Tamandarins A and B and Tamandarin A Analogs","Journal of the American Chemical Society","2001","123","","4469","4474","10.1021/ja010222c","","","0.71069","MoKα","","0.0392","0.0358","","0.0835","0.0814","","","","1.044","1.051","1.051","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115547","12.7757","0.0003","22.5429","0.0005","5.7753","0.0001","90","","90","","90","","1663.29","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O5 -","- C16 H23 N O5 -","- C64 H92 N4 O20 -","4","1","","Bo Liang; David J. Richard; Padma S. Portonovo; Madeleine M. Joullié","Total Syntheses and Biological Investigations of Tamandarins A and B and Tamandarin A Analogs","Journal of the American Chemical Society","2001","123","","4469","4474","10.1021/ja010222c","","","0.71069","MoKα","","0.051","0.0456","","0.1078","0.1038","","","","1.163","1.168","1.168","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115548","11.5479","0.0014","5.9499","0.0007","14.0742","0.0011","90","","110.759","0.007","90","","904.24","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H28 N2 O5 -","- C16 H28 N2 O5 -","- C32 H56 N4 O10 -","2","1","","Bo Liang; David J. Richard; Padma S. Portonovo; Madeleine M. Joullié","Total Syntheses and Biological Investigations of Tamandarins A and B and Tamandarin A Analogs","Journal of the American Chemical Society","2001","123","","4469","4474","10.1021/ja010222c","","","0.71069","MoKα","","0.0631","0.0574","","0.1426","0.1364","","","","1.152","1.158","1.158","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115549","18.549","0.006","5.323","0.002","13.214","0.004","90","","108.631","0.005","90","","1236.3","0.7","288.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 F14 S6 -","- C24 F14 S6 -","- C48 F28 S12 -","2","0.5","","Youichi Sakamoto; Shingo Komatsu; Toshiyasu Suzuki","Tetradecafluorosexithiophene: The First Perfluorinated Oligothiophene","Journal of the American Chemical Society","2001","123","","4643","4644","10.1021/ja015712j","","","0.7107","MoKα","","","0.06","","","","0.1729","","","","","","0.892","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115550","8.774","0.002","11.073","0.003","11.469","0.003","72.3","0.003","68.293","0.003","71.564","0.003","959.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","8,8-Di(methoxymethyl)-2,5,10,10-tetramethyltricyclo[4.3.2.0]undeca-1(6)-ene -3,4-dicarboximide","","- C21 H31 N O4 -","- C21 H31 N O4 -","- C42 H62 N2 O8 -","2","1","","Toshihiro Nishikawa; Hirotada Kakiya; Hiroshi Shinokubo; Koichiro Oshima","Novel [2 + 2 + 2] Annulation of 1,6-Diynes Mediated by Methallylchromate or Methallylmagnesium Chloride under CrCl3 Catalysis","Journal of the American Chemical Society","2001","123","","4629","4630","10.1021/ja015746r","","","0.71073","MoKα","","0.0475","0.0416","","","0.1146","0.1188","","","","","","1.066","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115551","13.3136","0.0017","25.346","0.003","15.93","0.002","90","","105.392","0.002","90","","5182.7","1.1","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H26 F20 N4 O2 Os -","- C59 H21 F20 N4 O2 Os -","- C236 H84 F80 N16 O8 Os4 -","4","1","","Yan Li; Jie-Sheng Huang; Zhong-Yuan Zhou; Chi-Ming Che","Isolation and X-ray Crystal Structure of an Unusual Biscarbene Metal Complex and Its Reactivity toward Cyclopropanation and Allylic C-H Insertion of Unfunctionalized Alkenes","Journal of the American Chemical Society","2001","123","","4843","4844","10.1021/ja003184q","","","0.71073","MoKα","","0.063","0.039","","","0.0994","0.1142","","","","","","0.734","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115552","16.7755","0.0015","15.3103","0.0013","25.012","0.002","90","","95.515","0.002","90","","6394.3","0.9","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71 H34 Cl2 F20 N4 O2 Os -","- C71 H28 Cl2 F20 N4 O2 Os -","- C284 H112 Cl8 F80 N16 O8 Os4 -","4","1","","Yan Li; Jie-Sheng Huang; Zhong-Yuan Zhou; Chi-Ming Che","Isolation and X-ray Crystal Structure of an Unusual Biscarbene Metal Complex and Its Reactivity toward Cyclopropanation and Allylic C-H Insertion of Unfunctionalized Alkenes","Journal of the American Chemical Society","2001","123","","4843","4844","10.1021/ja003184q","","","0.71073","MoKα","","0.0701","0.047","","","0.1264","0.1415","","","","","","0.932","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115553","12.792","0.004","18.517","0.006","27.674","0.008","90","","100.532","0.006","90","","6445","3","294","2","294","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C59 H24 Cl2 F20 N6 O4 Os S2 -","- C59 H22 Cl2 F20 N6 O4 Os S2 -","- C236 H88 Cl8 F80 N24 O16 Os4 S8 -","4","1","","Yan Li; Jie-Sheng Huang; Zhong-Yuan Zhou; Chi-Ming Che","Isolation and X-ray Crystal Structure of an Unusual Biscarbene Metal Complex and Its Reactivity toward Cyclopropanation and Allylic C-H Insertion of Unfunctionalized Alkenes","Journal of the American Chemical Society","2001","123","","4843","4844","10.1021/ja003184q","","","0.71073","MoKα","","0.1177","0.0718","","","0.1775","0.1979","","","","","","1.117","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115554","14.507","0.003","13.088","0.002","12.321","0.003","90","","114.013","0.005","90","","2136.9","0.8","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H12 F20 N4 O3 Os -","- C46 H8 F20 N4 O4 Os -","- C92 H16 F40 N8 O8 Os2 -","2","0.5","","Yan Li; Jie-Sheng Huang; Zhong-Yuan Zhou; Chi-Ming Che","Isolation and X-ray Crystal Structure of an Unusual Biscarbene Metal Complex and Its Reactivity toward Cyclopropanation and Allylic C-H Insertion of Unfunctionalized Alkenes","Journal of the American Chemical Society","2001","123","","4843","4844","10.1021/ja003184q","","","0.71073","MoKα","","0.0615","0.0366","","","0.0925","0.1132","","","","","","0.748","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115555","12.487","0.002","7.1123","0.0006","13.738","0.002","90","","98.68","0.08","90","","1206.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","9a","(1-((1,1-dimethyl-2-trifluoroacetyl)hydrazonim)methyl-C,O) methyldichlorosilicon(IV)","","- C6 H11 Cl2 F3 N2 O Si -","- C6 H11 Cl2 F3 N2 O Si -","- C24 H44 Cl8 F12 N8 O4 Si4 -","4","1","","Inna Kalikhman; Olga Girshberg; Lutz Lameyer; Dietmar Stalke; Daniel Kost","Tautomeric Equilibrium between Penta- and Hexacoordinate Silicon Chelates. A Chloride Bridge between Two Pentacoordinate Silicons","Journal of the American Chemical Society","2001","123","","4709","4716","10.1021/ja004118r","","","0.71073","MoKα","","0.0458","0.0387","","","0.1075","0.1127","","","","","","1.048","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115556","11.311","0.002","17.41","0.004","19.369","0.004","90","","95.2","0.03","90","","3798.5","1.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Chloro-bridged disiloxane (15)","bis-[(1-((1,1-dimethyl-2-benzoylhydrazonium)methyl-C,O)methyl]disiloxane dichloride","","- C24.5 H34.5 Cl9.5 N4 O3 Si2 -","- C24.5 H34.5 Cl9.5 N4 O3 Si2 -","- C98 H138 Cl38 N16 O12 Si8 -","4","1","","Inna Kalikhman; Olga Girshberg; Lutz Lameyer; Dietmar Stalke; Daniel Kost","Tautomeric Equilibrium between Penta- and Hexacoordinate Silicon Chelates. A Chloride Bridge between Two Pentacoordinate Silicons","Journal of the American Chemical Society","2001","123","","4709","4716","10.1021/ja004118r","","","0.71073","MoKα","","0.0785","0.0406","","","0.0854","0.0963","","","","","","0.865","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115557","6.1313","0.0011","21.369","0.004","6.79","0.0012","90","","98.496","0.004","90","","879.9","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","11b","(N-(dimethylamino)formimidato-N,O) (1-((1,1-dimethyl-2-formylhydrazonium)methyl-C,O)methylsilicon(IV) chloride","","- C9 H20 Cl4 N4 O2 Si -","- C9 H20 Cl4 N4 O2 Si -","- C18 H40 Cl8 N8 O4 Si2 -","2","1","","Inna Kalikhman; Olga Girshberg; Lutz Lameyer; Dietmar Stalke; Daniel Kost","Tautomeric Equilibrium between Penta- and Hexacoordinate Silicon Chelates. A Chloride Bridge between Two Pentacoordinate Silicons","Journal of the American Chemical Society","2001","123","","4709","4716","10.1021/ja004118r","","","0.71073","MoKα","","0.0904","0.0863","","","0.2323","0.2364","","","","","","1.074","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115558","12.7198","0.0002","12.7198","0.0002","34.1068","0.0002","90","","90","","90","","5518.25","0.13","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C30 H28 Cl2 N2 Si Zr -","- C30 H28 Cl2 N2 Si Zr -","- C240 H224 Cl16 N16 Si8 Zr8 -","8","1","","John A. Ewen; Michael J. Elder; Robert L. Jones; Arnold L. Rheingold; Louise M. Liable-Sands; Roger D. Sommer","Chiral Ansa Metallocenes with Cp Ring-Fused to Thiophenes and Pyrroles: Syntheses, Crystal Structures, and Isotactic Polypropylene Catalysts","Journal of the American Chemical Society","2001","123","","4763","4773","10.1021/ja004266h","","","0.71073","MoKα","","0.0404","0.0374","","","0.128","0.1323","","","","","","1.135","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115559","9.5183","0.0002","35.7383","0.0003","8.8314","0.0002","90","","91.6932","0.0011","90","","3002.85","0.1","243","2","243","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Cl2 S2 Si Zr -","- C32 H30 Cl2 S2 Si Zr -","- C128 H120 Cl8 S8 Si4 Zr4 -","4","1","","John A. Ewen; Michael J. Elder; Robert L. Jones; Arnold L. Rheingold; Louise M. Liable-Sands; Roger D. Sommer","Chiral Ansa Metallocenes with Cp Ring-Fused to Thiophenes and Pyrroles: Syntheses, Crystal Structures, and Isotactic Polypropylene Catalysts","Journal of the American Chemical Society","2001","123","","4763","4773","10.1021/ja004266h","","","0.71073","MoKα","","0.1318","0.0985","","","0.2486","0.2727","","","","","","1.808","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115560","11.7096","0.0002","12.6751","0.0002","12.7721","0.0002","96.9974","0.0007","106.851","0.0005","100.266","0.0003","1754.64","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H36 Cl4 S2 Si Zr -","- C35 H36 Cl4 S2 Si Zr -","- C70 H72 Cl8 S4 Si2 Zr2 -","2","1","","John A. Ewen; Michael J. Elder; Robert L. Jones; Arnold L. Rheingold; Louise M. Liable-Sands; Roger D. Sommer","Chiral Ansa Metallocenes with Cp Ring-Fused to Thiophenes and Pyrroles: Syntheses, Crystal Structures, and Isotactic Polypropylene Catalysts","Journal of the American Chemical Society","2001","123","","4763","4773","10.1021/ja004266h","","","0.71073","MoKα","","0.044","0.041","","","0.1926","0.2026","","","","","","0.959","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115561","13.7403","0.0002","17.3226","0.0002","26.3308","0.0003","90","","91.647","0.0002","90","","6264.61","0.14","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C33.5 H32 Cl3 N Si Zr -","- C33 H31 Cl2 N Si Zr -","- C264 H248 Cl16 N8 Si8 Zr8 -","8","1","","John A. Ewen; Michael J. Elder; Robert L. Jones; Arnold L. Rheingold; Louise M. Liable-Sands; Roger D. Sommer","Chiral Ansa Metallocenes with Cp Ring-Fused to Thiophenes and Pyrroles: Syntheses, Crystal Structures, and Isotactic Polypropylene Catalysts","Journal of the American Chemical Society","2001","123","","4763","4773","10.1021/ja004266h","","","0.71073","MoKα","","0.0544","0.0455","","","0.1408","0.1505","","","","","","1.162","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115562","16.9197","0.0007","19.477","0.001","12.7815","0.0005","96.889","0.002","101.353","0.005","75.1","0.009","3980.1","0.3","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H31 N3 S2 -","- C48 H31 N3 S2 -","- C192 H124 N12 S8 -","4","2","","Simi K. Pushpan; Alagar Srinivasan; Venkataramanarao G. Anand; Sundararaman Venkatraman; Tavarekere K. Chandrashekar; Bhavani S. Joshi; Raja Roy; Hiroyuki Furuta","N-Confused Expanded Porphyrin: First Example of a Modified Sapphyrin with an Inverted N-Confused Pyrrole Ring","Journal of the American Chemical Society","2001","123","","5138","5139","10.1021/ja010673x","","","0.7107","MoKα","","0.075","0.075","","0.124","","0.124","","","0.438","","","0.44","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115563","23.7992","0.0014","6.2196","0.0004","4.6385","0.0003","90","","90","","90","","686.6","0.07","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H7 Au Cl N -","- C4 H7 Au Cl N -","- C16 H28 Au4 Cl4 N4 -","4","0.5","","Robert E. Bachman; Michael S. Fioritto; Susan K. Fetics; T. Matthew Cocker","The Structural and Functional Equivalence of Aurophilic and Hydrogen Bonding: Evidence for the First Examples of Rotator Phases Induced by Aurophilic Bonding","Journal of the American Chemical Society","2001","123","","5376","5377","10.1021/ja0056217","","","0.71073","MoKα","","0.1038","0.088","","","0.2092","0.22","","","","","","1.241","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115564","4.4742","0.0002","6.3259","0.0003","10.0957","0.0003","90","","96.167","0.001","90","","284.09","0.02","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H5 Au Cl N -","- C3 H5 Au Cl N -","- C6 H10 Au2 Cl2 N2 -","2","1","","Robert E. Bachman; Michael S. Fioritto; Susan K. Fetics; T. Matthew Cocker","The Structural and Functional Equivalence of Aurophilic and Hydrogen Bonding: Evidence for the First Examples of Rotator Phases Induced by Aurophilic Bonding","Journal of the American Chemical Society","2001","123","","5376","5377","10.1021/ja0056217","","","0.71073","MoKα","","0.0582","0.0538","","","0.1355","0.1383","","","","","","1.042","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115565","10.911","0.001","17.975","0.002","6.865","0.001","90","","90","","90","","1346.4","0.3","298.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N S -","- C14 H23 N S -","- C56 H92 N4 S4 -","4","1","","Ilya D. Gridnev; Masaya Yasutake; Natsuka Higashi; Tsuneo Imamoto","Asymmetric Hydrogenation of Enamides with Rh-BisP* and Rh-MiniPHOS Catalysts. Scope, Limitations, and Mechanism","Journal of the American Chemical Society","2001","123","","5268","5276","10.1021/ja010161i","","","1.5418","CuKα","","","0.0487","","","","0.0658","","","","","","1.708","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115566","5.827","0.005","9.154","0.006","19.59","0.01","90.76","0.03","92.54","0.03","81.82","0.03","1033.3","1.2","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H26 O3 -","- C26 H26 O3 -","- C52 H52 O6 -","2","1","","Frédéric Robert; Anne Milet; Yves Gimbert; Denés Konya; Andrew E. Greene","Regiochemistry in the Pauson-Khand Reaction: Has a Trans Effect Been Overlooked?","Journal of the American Chemical Society","2001","123","","5396","5400","10.1021/ja004170n","","","0.7107","MoKα","","0.0624","0.0624","","0.0566","","0.0566","","","1.987","","","1.987","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115567","11.1076","0.0009","11.871","0.002","14.655","0.002","80.769","0.005","70.036","0.005","77.303","0.005","1764.2","0.4","173","","173","","","","","","","","Synthetic","4","P -1","-P 1","2","Ti4_BHMPC_ETOH","","","- C66 H86 O26 Ti4 -","- C66 H54 O26 Ti4 -","- C66 H54 O26 Ti4 -","1","0.5","","Adel Rammal; Frédéric Brisach; Marc Henry","Molecular Recognition of Titanium(IV) Alkoxides by 2,6-Bis(hydroxymethyl)-p-cresol in the Crystal Engineering of Hybrid Organic-Inorganic Networks","Journal of the American Chemical Society","2001","123","","5612","5613","10.1021/ja0156136","","","0.71073","Mo-Kα","","0.193","0.082","","0.515","","0.104","","","6.92","","","1.03","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115568","12.8922","0.0004","14.1422","0.0004","22.8758","0.0004","81.271","0.006","77.401","0.006","81.55","0.006","3995.1","0.2","173","","173","","","","","","","","Synthetic","5","P -1","-P 1","2","Ti4_BHMPC_CHCL3","","","- C131 H162 Cl18 O49 Ti8 -","- C131 H108 Cl18 O49 Ti8 -","- C131 H108 Cl18 O49 Ti8 -","1","0.5","","Adel Rammal; Frédéric Brisach; Marc Henry","Molecular Recognition of Titanium(IV) Alkoxides by 2,6-Bis(hydroxymethyl)-p-cresol in the Crystal Engineering of Hybrid Organic-Inorganic Networks","Journal of the American Chemical Society","2001","123","","5612","5613","10.1021/ja0156136","","","0.71073","Mo-Kα","","0.164","0.099","","0.429","","0.122","","","5.682","","","1.264","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115569","18.6794","0.0013","13.5313","0.001","7.6028","0.0006","90","","102.196","0.003","90","","1878.3","0.2","30","2","30","2","","","","","","","","2","I 1 2/m 1","-I 2y","12","","","","- O64 Si32 -","- O64 Si32 -","- O64 Si32 -","1","0.125","","Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris","Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR","Journal of the American Chemical Society","2001","123","","5453","5459","10.1021/ja015797o","","","0.6942","","","0.1277","0.0752","","","0.1631","0.1864","","","","","","1.035","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115570","18.6504","0.0013","13.4868","0.001","7.6257","0.0006","90","","101.99","0.003","90","","1876.3","0.2","240","2","240","2","","","","","","","","2","I 1 2/m 1","-I 2y","12","","","","- O64 Si32 -","- O64 Si32 -","- O64 Si32 -","1","0.125","","Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris","Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR","Journal of the American Chemical Society","2001","123","","5453","5459","10.1021/ja015797o","","","0.6944","","","0.0701","0.0578","","","0.128","0.1296","","","","","","2.107","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115571","18.6277","0.0013","13.4777","0.001","7.6305","0.0006","90","","101.927","0.003","90","","1874.3","0.2","340","2","340","2","","","","","","","","2","I 1 2/m 1","-I 2y","12","","","","- O64 Si32 -","- O64 Si32 -","- O64 Si32 -","1","0.125","","Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris","Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR","Journal of the American Chemical Society","2001","123","","5453","5459","10.1021/ja015797o","","","0.6944","","","0.067","0.0472","","","0.1139","0.1183","","","","","","1.236","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115572","12.195","0.0003","22.04","0.0011","16.888","0.0006","90","","143.526","0.003","90","","2698.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","TpOs[NH-p-C6H4N(c-C5H10)]Cl2","","- C23 H31 B Cl2 N8 O Os -","- C23 H31 B Cl2 N8 O Os -","- C92 H124 B4 Cl8 N32 O4 Os4 -","4","1","","Jake D. Soper; Werner Kaminsky; James M. Mayer","Activation of an Anilido Ligand for Nucleophilic Aromatic Substitution by an Oxidizing Os(IV) Center","Journal of the American Chemical Society","2001","123","","5594","5595","10.1021/ja0159214","","","0.7107","MoKα","","0.0539","0.0321","","","0.0705","0.0766","","","","","","0.977","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115573","8.603","0.0003","27.533","0.0011","10.456","0.0003","90","","97.632","0.002","90","","2454.74","0.15","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","TpOs[NH-p-C6H4N(c-C4H8)]Cl2","","- C21 H26 B Cl2 N9 Os -","- C21 H26 B Cl2 N9 Os -","- C84 H104 B4 Cl8 N36 Os4 -","4","1","","Jake D. Soper; Werner Kaminsky; James M. Mayer","Activation of an Anilido Ligand for Nucleophilic Aromatic Substitution by an Oxidizing Os(IV) Center","Journal of the American Chemical Society","2001","123","","5594","5595","10.1021/ja0159214","","","0.7107","MoKα","","0.0423","0.0317","","","0.0694","0.0729","","","","","","1.006","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115574","10.2133","0.0008","10.3016","0.0008","14.8454","0.0012","96.025","0.001","99.522","0.001","117.543","0.002","1336.1","0.18","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H34 Cl2 Cu O9 S4 -","- C18 H34 Cl2 Cu O9 S4 -","- C36 H68 Cl4 Cu2 O18 S8 -","2","1","","Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Direct Evidence for a Geometrically Constrained ""Entatic State"" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates","Journal of the American Chemical Society","2001","123","","5720","5729","10.1021/ja002995r","","","0.71073","MoKα","","0.099","0.0479","","0.1254","0.1052","","","","0.951","1.076","1.076","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115575","10.8358","0.0005","14.8072","0.0007","17.2021","0.0008","90","","90","","90","","2760","0.2","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H36 Cl2 Cu O10 S4 -","- C18 H36 Cl2 Cu O10 S4 -","- C72 H144 Cl8 Cu4 O40 S16 -","4","0.5","","Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Direct Evidence for a Geometrically Constrained ""Entatic State"" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates","Journal of the American Chemical Society","2001","123","","5720","5729","10.1021/ja002995r","","","0.71073","MoKα","","0.0741","0.0559","","0.1779","0.1647","","","","1.064","1.131","1.131","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115576","20.0273","0.0013","6.996","0.0004","20.2965","0.0013","90","","101.536","0.001","90","","2786.3","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 Cl2 Cu O10 S4 -","- C18 H32 Cl2 Cu O10 S4 -","- C72 H128 Cl8 Cu4 O40 S16 -","4","1","","Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Direct Evidence for a Geometrically Constrained ""Entatic State"" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates","Journal of the American Chemical Society","2001","123","","5720","5729","10.1021/ja002995r","","","0.71073","MoKα","","0.1363","0.0739","","0.2492","0.207","","","","1.054","1.218","1.218","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115577","13.0498","0.0007","16.9827","0.0008","23.5634","0.0011","90","","90","","90","","5222.1","0.4","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Cl2 Cu O8 S4 -","- C18 H32 Cl2 Cu O8 S4 -","- C144 H256 Cl16 Cu8 O64 S32 -","8","1","","Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Direct Evidence for a Geometrically Constrained ""Entatic State"" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates","Journal of the American Chemical Society","2001","123","","5720","5729","10.1021/ja002995r","","","0.71073","MoKα","","0.1488","0.096","","0.2979","0.273","","","","1.053","1.264","1.264","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115578","11.537","0.0006","13.7475","0.0007","17.7187","0.0009","90","","101.785","0.001","90","","2751","0.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H34 Cl2 Cu O9 S4 -","- C18 H33 Cl2 Cu O9 S4 -","- C72 H132 Cl8 Cu4 O36 S16 -","4","1","","Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Direct Evidence for a Geometrically Constrained ""Entatic State"" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates","Journal of the American Chemical Society","2001","123","","5720","5729","10.1021/ja002995r","","","0.71073","MoKα","","0.0823","0.0529","","0.1646","0.1471","","","","1.034","1.125","1.125","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115579","10.916","0.002","15.602","0.003","13.66","0.003","90","","91.87","0.03","90","","2325.2","0.8","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 Cl Cu O4 S4 -","- C18 H32 Cl Cu O4 S4 -","- C72 H128 Cl4 Cu4 O16 S16 -","4","1","","Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Direct Evidence for a Geometrically Constrained ""Entatic State"" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates","Journal of the American Chemical Society","2001","123","","5720","5729","10.1021/ja002995r","","","0.71073","MoKα","","0.0595","0.0374","","","0.1035","0.1094","","","","","","0.961","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115580","23.973","0.003","14.04","0.002","6.5655","0.0008","90","","90.352","0.002","90","","2209.8","0.5","298","","298","","","","","","","","synthesis as described","5","C 1 2/m 1","-C 2y","12","","disodium potassium europium octasilicate pentahydrate","","- Eu K Na2 O24 Si8 -","- Eu K Na2 O24 Si8 -","- Eu4 K4 Na8 O96 Si32 -","4","0.5","","Duarte Ananias; Artur Ferreira; João Rocha; Paula Ferreira; José P. Rainho; Cláudia Morais; Luís D. Carlos","Novel Microporous Europium and Terbium Silicates","Journal of the American Chemical Society","2001","123","","5735","5742","10.1021/ja010244z","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0493","2.35","","","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115581","23.945","0.003","14.019","0.002","6.5542","0.0007","90","","90.288","0.003","90","","2200.1","0.5","298","","298","","","","","","","","synthesis as described","5","C 1 2/m 1","-C 2y","12","","disodium potassium terbium octasilicate pentahydrate","","- K Na2 O24 Si8 Tb -","- K Na2 O24 Si8 Tb -","- K4 Na8 O96 Si32 Tb4 -","4","0.5","","Duarte Ananias; Artur Ferreira; João Rocha; Paula Ferreira; José P. Rainho; Cláudia Morais; Luís D. Carlos","Novel Microporous Europium and Terbium Silicates","Journal of the American Chemical Society","2001","123","","5735","5742","10.1021/ja010244z","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.07","2.93","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115582","9.4344","0.0009","27.089","0.003","30.133","0.003","90","","90","","90","","7701","1.4","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38.6 H56.2 N4 O8.4 -","- C38.6 H56.2 N4 O8.4 -","- C308.8 H449.6 N32 O67.2 -","8","1","","Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith","Selective Recognition of an Alkali Halide Contact Ion-Pair","Journal of the American Chemical Society","2001","123","","5847","5848","10.1021/ja0156082","","","0.71073","MoKα","","0.1753","0.0664","","","0.1268","0.1761","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115583","22.6601","0.0014","13.1202","0.0009","27.7671","0.0018","90","","103.732","0.001","90","","8019.3","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39.2 H52.4 Cl K N4 O6.6 -","- C39.2 H43 Cl K N4 O6.6 -","- C313.6 H344 Cl8 K8 N32 O52.8 -","8","2","","Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith","Selective Recognition of an Alkali Halide Contact Ion-Pair","Journal of the American Chemical Society","2001","123","","5847","5848","10.1021/ja0156082","","","0.71073","MoKα","","0.1174","0.0806","","","0.2401","0.2644","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115584","23.818","0.002","11.9742","0.0012","26.727","0.003","90","","90","","90","","7622.6","1.3","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H50 Cl N4 Na O6 -","- C38 H50 Cl N4 Na O6 -","- C304 H400 Cl8 N32 Na8 O48 -","8","1","","Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith","Selective Recognition of an Alkali Halide Contact Ion-Pair","Journal of the American Chemical Society","2001","123","","5847","5848","10.1021/ja0156082","","","0.71073","MoKα","","0.0936","0.0498","","","0.1057","0.1456","","","","","","1.048","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115585","11.5136","0.0005","11.5136","0.0005","7.2291","0.0008","90","","90","","90","","958.31","0.12","173","2","173","2","","","","","","","synthesized","5","I 4/m","-I 4","87","","Catena((μ2-ν2:ν2-ethylene)-tetrakis(μ2-trifluoroacetato-O,O')- dirhodium(II,II)","","- C10 H4 F12 O8 Rh2 -","- C10 H4 F12 O8 Rh2 -","- C20 H8 F24 O16 Rh4 -","2","0.125","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina; Robert E. Taylor","A Polymeric Chain in Which μ2,η2:η2-Ethene Symmetrically Bridges Tetra(trifluoroacetato) Dirhodium Molecules","Journal of the American Chemical Society","2001","123","","5831","5832","10.1021/ja0160750","","","0.71073","MoKα","","0.0318","0.0312","","0.0794","0.0781","","","","1.117","1.118","1.118","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115586","12.468","0.002","17.667","0.003","25.111","0.004","79.81","0.02","79.28","0.02","89.99","0.02","5345.9","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H40 Fe N3 O6 -","- C25 H40 Fe N3 O6 -","- C200 H320 Fe8 N24 O48 -","8","4","","Shuji Kimura; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt","Phenylthiyl Radical Complexes of Gallium(III), Iron(III), and Cobalt(III) and Comparison with Their Phenoxyl Analogues","Journal of the American Chemical Society","2001","123","","6025","6039","10.1021/ja004305p","","","0.71073","MoKα","","0.1185","0.0646","","0.18","0.1576","","","","1.053","1.238","1.238","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115587","49.743","0.007","8.8465","0.0012","13.293","0.002","90","","98.9","0.02","90","","5779.2","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H45 Co N3 O7.5 -","- C26 H45 Co N3 O7.5 -","- C208 H360 Co8 N24 O60 -","8","1","","Shuji Kimura; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt","Phenylthiyl Radical Complexes of Gallium(III), Iron(III), and Cobalt(III) and Comparison with Their Phenoxyl Analogues","Journal of the American Chemical Society","2001","123","","6025","6039","10.1021/ja004305p","","","0.71073","MoKα","","0.1022","0.0544","","0.1585","0.1292","","","","1.014","1.12","1.12","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115588","7.3937","0.0006","13.8182","0.0012","17.329","0.002","90","","91.293","0.012","90","","1770","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 Fe N3 O4 S -","- C17 H22 Fe N3 O4 S -","- C68 H88 Fe4 N12 O16 S4 -","4","1","","Shuji Kimura; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt","Phenylthiyl Radical Complexes of Gallium(III), Iron(III), and Cobalt(III) and Comparison with Their Phenoxyl Analogues","Journal of the American Chemical Society","2001","123","","6025","6039","10.1021/ja004305p","","","0.71073","MoKα","","0.0294","0.025","","0.0687","0.0671","","","","1.051","1.09","1.09","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115589","27.694","0.005","27.694","0.005","13.188","0.003","90","","90","","120","","8760","3","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C25 H40.33 Co N3 O5.17 S -","- C25 H38 Co N3 O5.16667 S -","- C300 H456 Co12 N36 O62 S12 -","12","1","","Shuji Kimura; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt","Phenylthiyl Radical Complexes of Gallium(III), Iron(III), and Cobalt(III) and Comparison with Their Phenoxyl Analogues","Journal of the American Chemical Society","2001","123","","6025","6039","10.1021/ja004305p","","","0.71073","MoKα","","0.1601","0.0726","","0.2404","0.1652","","","","0.991","1.2","1.2","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115590","13.178","0.002","13.545","0.002","12.6211","0.0012","116.169","0.005","92.716","0.003","98.691","0.005","1982.1","0.5","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H44 N6 O2 -","- C50 H42 N6 O2 -","- C100 H84 N12 O4 -","2","1","","Hiroyuki Furuta; Tomoya Ishizuka; Atsuhiro Osuka; Hirohisa Dejima; Hidenori Nakagawa; Yuichi Ishikawa","NH Tautomerism of N-Confused Porphyrin","Journal of the American Chemical Society","2001","123","","6207","6208","10.1021/ja010237a","","","0.7107","MoKα","","0.0683","0.068","","0.073","","0.073","","","0.177","","","0.18","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115591","15.2671","0.0002","15.2671","0.0001","48.4117","0.0006","90","0.0007","90","0.0004","120","0.0005","9772.24","0.19","158","2","158","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C45 H66.5 Cu5 La N12.5 O26 -","- C45 H50 Cu5 La N12.5 O28.75 -","- C270 H300 Cu30 La6 N75 O172.5 -","6","1","","Annabel D. Cutland; Jason A. Halfen; Jeff W. Kampf; Vincent L. Pecoraro","Chiral 15-Metallacrown-5 Complexes Differentially Bind Carboxylate Anions","Journal of the American Chemical Society","2001","123","","6211","6212","10.1021/ja015610t","","","0.71073","MoKα","","0.0559","0.0541","","","0.1228","0.1239","","","","","","1.215","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115592","14.6821","0.0002","38.1937","0.0007","15.6385","0.0002","90","","117.862","0.001","90","","7752.9","0.2","158","2","158","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C96 H163 Cu10 La2 N20 O79 -","- C96 H108 Cu10 La2 N20 O42 -","- C192 H216 Cu20 La4 N40 O84 -","2","1","","Annabel D. Cutland; Jason A. Halfen; Jeff W. Kampf; Vincent L. Pecoraro","Chiral 15-Metallacrown-5 Complexes Differentially Bind Carboxylate Anions","Journal of the American Chemical Society","2001","123","","6211","6212","10.1021/ja015610t","","","0.71073","MoKα","","0.115","0.109","","","0.2968","0.3009","","","","","","1.055","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115593","15.098","0.003","28.257","0.006","16.887","0.003","90","","102.185","0.003","90","","7042","2","158","2","158","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C107 H128 Cu10 Gd2 N20 O43 -","- C107 H111 Cu10 Gd2 N20 O42.32 -","- C214 H222 Cu20 Gd4 N40 O84.64 -","2","1","","Annabel D. Cutland; Jason A. Halfen; Jeff W. Kampf; Vincent L. Pecoraro","Chiral 15-Metallacrown-5 Complexes Differentially Bind Carboxylate Anions","Journal of the American Chemical Society","2001","123","","6211","6212","10.1021/ja015610t","","","0.71073","MoKα","","0.082","0.061","","","0.1566","0.166","","","","","","1.066","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115594","5.957","0.001","15.17","0.001","7.964","0.001","90","","90","","90","","719.69","0.16","193","2","193","2","","","","","","","","3","P b c m","-P 2c 2b","57","Tetrafluorochlorine(V+)hexafluoroantimonate(V+)","","","- Cl F10 Sb -","- Cl F10 Sb -","- Cl4 F40 Sb4 -","4","0.5","","Karl O. Christe; Xiongzhi Zhang; Jeffrey A. Sheehy; Robert Bau","Crystal Structure of ClF4+SbF6-, Normal Coordinate Analyses of ClF4+, BrF4+, IF4+, SF4, SeF4, and TeF4, and Simple Method for Calculating the Effects of Fluorine Bridging on the Structure and Vibrational Spectra of Ions in a Strongly Interacting Ionic Solid","Journal of the American Chemical Society","2001","123","","6338","6348","10.1021/ja003347a","","","0.71073","MoKα","","0.0227","0.022","","0.0496","0.0493","","","","1.147","1.158","1.158","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115595","9.507","0.002","17.422","0.002","7.591","0.002","90.68","0.02","105.79","0.02","75.55","0.01","1169.5","0.4","298","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O6 -","- C25.02 H22.236 N2 O6 -","- C50.04 H44.472 N4 O12 -","2","1","","Shigeru Ohba; Hiroyuki Hosomi; Yoshikatsu Ito","In Situ X-ray Observation of Pedal-like Conformational Change and Dimerization of trans-Cinnamamide in Cocrystals with Phthalic Acid","Journal of the American Chemical Society","2001","123","","6349","6352","10.1021/ja0034287","","","0.71073","MoKα","","","0.08","","","","0.223","","","","","","1.54","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115596","9.562","0.003","17.401","0.004","7.523","0.003","90.82","0.02","105.72","0.02","75.51","0.02","1164.7","0.7","298","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C52 H48 N4 O12 -","2","1","","Shigeru Ohba; Hiroyuki Hosomi; Yoshikatsu Ito","In Situ X-ray Observation of Pedal-like Conformational Change and Dimerization of trans-Cinnamamide in Cocrystals with Phthalic Acid","Journal of the American Chemical Society","2001","123","","6349","6352","10.1021/ja0034287","","","0.71073","MoKα","","","0.041","","","","0.181","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115597","10.487","0.003","10.833","0.003","15.804","0.005","96.045","0.015","97.114","0.016","99.466","0.016","1742.8","0.9","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 F Fe N5 O -","- C42 H48 F Fe N5 O -","- C84 H96 F2 Fe2 N10 O2 -","2","1","","George B. Richter-Addo; Ralph A. Wheeler; Christopher Adam Hixson; Li Chen; Masood A. Khan; Mary K. Ellison; Charles E. Schulz; W. Robert Scheidt","Unexpected Nitrosyl-Group Bending in Six-Coordinate {M(NO)}6σ-Bonded Aryl(iron) and -(ruthenium) Porphyrins","Journal of the American Chemical Society","2001","123","","6314","6326","10.1021/ja010276m","","","0.71073","MoKα","","0.0902","0.0628","","","0.1344","0.1496","","","","","","1.039","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115598","10.5223","0.0011","10.8549","0.0014","15.793","0.002","96.051","0.011","97.08","0.01","99.464","0.01","1751.1","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 F N5 O Ru -","- C42 H48 F N5 O Ru -","- C84 H96 F2 N10 O2 Ru2 -","2","1","","George B. Richter-Addo; Ralph A. Wheeler; Christopher Adam Hixson; Li Chen; Masood A. Khan; Mary K. Ellison; Charles E. Schulz; W. Robert Scheidt","Unexpected Nitrosyl-Group Bending in Six-Coordinate {M(NO)}6σ-Bonded Aryl(iron) and -(ruthenium) Porphyrins","Journal of the American Chemical Society","2001","123","","6314","6326","10.1021/ja010276m","","","0.71073","MoKα","","0.055","0.0394","","0.1158","0.0878","","","","1.053","1.072","1.072","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115599","10.6209","0.0008","10.9386","0.0012","15.9183","0.0015","95.705","0.008","97.009","0.007","99.61","0.007","1796.2","0.3","303","2","303","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 F N5 O Ru -","- C42 H48 F N5 O Ru -","- C84 H96 F2 N10 O2 Ru2 -","2","1","","George B. Richter-Addo; Ralph A. Wheeler; Christopher Adam Hixson; Li Chen; Masood A. Khan; Mary K. Ellison; Charles E. Schulz; W. Robert Scheidt","Unexpected Nitrosyl-Group Bending in Six-Coordinate {M(NO)}6σ-Bonded Aryl(iron) and -(ruthenium) Porphyrins","Journal of the American Chemical Society","2001","123","","6314","6326","10.1021/ja010276m","","","0.71073","MoKα","","0.0814","0.049","","0.1313","0.0982","","","","1.018","1.054","1.054","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115600","8.5581","0.0003","9.8036","0.0003","10.6673","0.0004","64.651","0.001","68.683","0.001","87.56","0.001","746.65","0.05","173","2","173","2","","","","","","","Y. Dong / Prof. L. Que","6","P 1","P 1","1","96026","","","- C25 H30 Cl2 Fe N6 O8 -","- C25 H30 Cl2 Fe N6 O8 -","- C25 H30 Cl2 Fe N6 O8 -","1","1","","Kui Chen; Lawrence Que","Stereospecific Alkane Hydroxylation by Non-Heme Iron Catalysts: Mechanistic Evidence for an FeVO Active Species","Journal of the American Chemical Society","2001","123","","6327","6337","10.1021/ja010310x","","","0.71073","MoKα","","0.0251","0.0245","","0.063","0.0621","","","","1.061","1.054","1.054","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115601","11.468","0.002","11.835","0.002","12.691","0.002","74.252","0.003","77.657","0.003","68.165","0.003","1526.6","0.4","173","2","173","2","","","","","","","Kui Chen, Prof. L. Que","6","P -1","-P 1","2","99139","","","- C26 H31.5 Cl2 Fe N6.5 O8 -","- C26 H31.5 Cl2 Fe N6.5 O8 -","- C52 H63 Cl4 Fe2 N13 O16 -","2","1","","Kui Chen; Lawrence Que","Stereospecific Alkane Hydroxylation by Non-Heme Iron Catalysts: Mechanistic Evidence for an FeVO Active Species","Journal of the American Chemical Society","2001","123","","6327","6337","10.1021/ja010310x","","","0.71073","MoKα","","0.0895","0.0426","","0.0789","0.071","","","","0.809","1.004","1.004","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115602","9.864","0.002","9.864","0.002","24.777","0.009","90","","90","","120","","2087.8","1","293","2","293","2","","","","","","","","7","P 32","P 32","145","00389","","","- C24 H20 F6 Fe N4 O6 S2 -","- C24 H20 F6 Fe N4 O6 S2 -","- C72 H60 F18 Fe3 N12 O18 S6 -","3","1","","Kui Chen; Lawrence Que","Stereospecific Alkane Hydroxylation by Non-Heme Iron Catalysts: Mechanistic Evidence for an FeVO Active Species","Journal of the American Chemical Society","2001","123","","6327","6337","10.1021/ja010310x","","","0.71073","MoKα","","0.0994","0.0786","","","0.2068","0.2227","","","","","","1.045","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4115603","10.0336","0.0002","16.0283","0.0004","17.3444","0.0002","90","","101.619","0.001","90","","2732.2","0.09","173","2","173","2","","","","","","","K. Chen / Prof. L. Que","6","P 1 21/n 1","-P 2yn","14","97277","","","- C26 H24 Cl2 Fe N4 O9 -","- C26 H24 Cl2 Fe N4 O9 -","- C104 H96 Cl8 Fe4 N16 O36 -","4","1","","Kui Chen; Lawrence Que","Stereospecific Alkane Hydroxylation by Non-Heme Iron Catalysts: Mechanistic Evidence for an FeVO Active Species","Journal of the American Chemical Society","2001","123","","6327","6337","10.1021/ja010310x","","","0.71073","MoKα","","0.1299","0.0614","","0.1437","0.1215","","","","1.005","1.171","1.171","","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00",""
"4115604","12.4242","0.0005","22.4768","0.0008","25.1848","0.0009","90","","95.457","0.001","90","","7001.1","0.5","193","","193","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C61 H66 B2 F24 N6 O2 Pt Si -","- C61 H66 B2 F33 N6 O2 Pt Si -","- C244 H264 B8 F132 N24 O8 Pt4 Si4 -","4","1","","Stefan Reinartz; Peter S. White; Maurice Brookhart; Joseph L. Templeton","Five-Coordinate Trispyrazolylborate Dihydridosilyl Platinum(IV) Complexes","Journal of the American Chemical Society","2001","123","","6425","6426","10.1021/ja0104047","","","0.71073","MolybdenumKα","","0.068","0.048","","0.064","0.061","","","","","2.29","2.29","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115605","10.4018","0.0006","12.1622","0.0008","9.0988","0.0006","108.935","0.003","104.073","0.003","104.779","0.002","983.65","0.11","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H42 Bi2 O8 -","- C84 H84 Bi4 O16 -","- C84 H84 Bi4 O16 -","1","0.5","","Yoshihiro Matano; Hazumi Nomura","Dimeric Triarylbismuthane Oxide: A Novel Efficient Oxidant for the Conversion of Alcohols to Carbonyl Compounds","Journal of the American Chemical Society","2001","123","","6443","6444","10.1021/ja010584k","","","0.7107","MoKα","","","0.0441","","","","0.1033","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115606","14.108","0.0003","9.847","0.0003","21.782","0.0004","90","","90","","90","","3025.99","0.13","130","2","130","2","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- C32 H50 N2 Pt -","- C32 H50 N2 Pt -","- C128 H200 N8 Pt4 -","4","0.5","","Ulrich Fekl; Werner Kaminsky; Karen I. Goldberg","A Stable Five-Coordinate Platinum(IV) Alkyl Complex","Journal of the American Chemical Society","2001","123","","6423","6424","10.1021/ja0156690","","","0.7107","MoKα","","0.0516","0.0348","","","0.0835","0.0892","","","","","","1.065","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115607","9.097","0.0004","13.953","0.0006","12.761","0.0006","90","","109.996","0.003","90","","1522.11","0.12","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H50 N2 Pt -","- C32 H50 N2 Pt -","- C64 H100 N4 Pt2 -","2","1","","Ulrich Fekl; Werner Kaminsky; Karen I. Goldberg","A Stable Five-Coordinate Platinum(IV) Alkyl Complex","Journal of the American Chemical Society","2001","123","","6423","6424","10.1021/ja0156690","","","0.7107","MoKα","","0.0459","0.0366","","","0.0785","0.0816","","","","","","1.091","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115608","10.296","0.001","20.146","0.002","10.392","0.001","90","","101.86","0.01","90","","2109.5","0.4","20","","20","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C44 H43 F6 Fe N O P Pd Sb -","- C88 H86 F12 Fe2 N2 O2 P2 Pd2 Sb2 -","- C88 H86 F12 Fe2 N2 O2 P2 Pd2 Sb2 -","","","","Wei-Ping Deng; Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia; Jie Sun","Importance of Planar Chirality in Chiral Catalysts with Three Chiral Elements: The Role of Planar Chirality in 2'-Substituted 1,1'-P,N-Ferrocene Ligands on the Enantioselectivity in Pd-Catalyzed Allylic Substitution","Journal of the American Chemical Society","2001","123","","6508","6519","10.1021/ja002657q","","","0.7107","MoKalpha","","","0.032","","","0.037","","","","","1.26","1.26","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115609","10.833","0.002","19.344","0.007","20.46","0.003","90","","104.64","0.01","90","","4148.3","1.8","20","","20","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C44 H43 F6 Fe N O P Pd Sb -","- C176 H172 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","- C176 H172 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","","","","Wei-Ping Deng; Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia; Jie Sun","Importance of Planar Chirality in Chiral Catalysts with Three Chiral Elements: The Role of Planar Chirality in 2'-Substituted 1,1'-P,N-Ferrocene Ligands on the Enantioselectivity in Pd-Catalyzed Allylic Substitution","Journal of the American Chemical Society","2001","123","","6508","6519","10.1021/ja002657q","","","0.7107","MoKalpha","","","0.031","","","0.038","","","","","1.56","1.56","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115610","11.8183","0.0004","12.3733","0.0004","14.3086","0.0003","104.742","0.002","113.604","0.002","100.713","0.002","1753.7","0.1","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H39 Cl2 N5 O12 Zn2 -","- C25 H39 Cl2 N5 O12 Zn2 -","- C50 H78 Cl4 N10 O24 Zn4 -","2","1","","Natalia V. Kaminskaia; Bernhard Spingler; Stephen J. Lippard","Intermediate in β-Lactam Hydrolysis Catalyzed by a Dinuclear Zinc(II) Complex: Relevance to the Mechanism of Metallo-β-lactamase","Journal of the American Chemical Society","2001","123","","6555","6563","10.1021/ja002699e","","","0.71073","MoKα","","0.2034","0.0867","","","0.2211","0.2696","","","","","","0.903","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115611","30.78","0.004","30.78","0.004","25.831","0.005","90","","90","","90","","24473","7","193","2","193","2","","","","","","","","6","I 4","I 4","79","","","","- C176.38 H281 Ba N52 O59.5 Si8 -","- C176.39 H270.06 Ba N52.01 O59.5 Si8 -","- C705.56 H1080.24 Ba4 N208.04 O238 Si32 -","4","0.5","","Xiaodong Shi; James C. Fettinger; Jeffery T. Davis","Homochiral G-Quadruplexes with Ba2+ but Not with K+: The Cation Programs Enantiomeric Self-Recognition","Journal of the American Chemical Society","2001","123","","6738","6739","10.1021/ja004330v","","","0.71073","MoKα","","0.0994","0.0804","","","0.205","0.2203","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115612","14.6594","0.0018","25.664","0.003","9.6242","0.0016","90","","90","","90","","3620.8","0.9","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H26 Cl2 F12 N2 Pt -","- C35 H26 Cl2 F12 N2 Pt -","- C140 H104 Cl8 F48 N8 Pt4 -","4","0.5","","Lars Johansson; Olav B. Ryan; Christian Rømming; Mats Tilset","Unexpected Selectivities in C-H Activations of Toluene and p-Xylene at Cationic Platinum(II) Diimine Complexes. New Mechanistic Insight into Product-Determining Factors","Journal of the American Chemical Society","2001","123","","6579","6590","10.1021/ja010277e","","","0.71073","MoKα","","0.0679","0.0546","","","0.1204","0.129","","","","","","1.219","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115613","9.1018","0.0007","9.7593","0.0007","16.2","0.001","90","","102.135","0.001","90","","1406.85","0.17","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","00095","","","- C22 H28 F6 Fe N4 O6 S2 -","- C22 H28 F6 Fe N4 O6 S2 -","- C44 H56 F12 Fe2 N8 O12 S4 -","2","1","","Miquel Costas; Adrianne K. Tipton; Kui Chen; Du-Hwan Jo; Lawrence Que","Modeling Rieske Dioxygenases: The First Example of Iron-Catalyzed Asymmetric cis-Dihydroxylation of Olefins","Journal of the American Chemical Society","2001","123","","6722","6723","10.1021/ja015601k","","","0.71073","MoKα","","0.0319","0.0274","","","0.0606","0.0625","","","","","","1.032","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4115614","14.872","0.003","12.906","0.002","16.543","0.003","90","0.003","114.426","0.003","90","0.003","2891","0.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","00028","","","- C24 H32 F6 Fe N4 O6 S2 -","- C24 H32 F6 Fe N4 O6 S2 -","- C96 H128 F24 Fe4 N16 O24 S8 -","4","1","","Miquel Costas; Adrianne K. Tipton; Kui Chen; Du-Hwan Jo; Lawrence Que","Modeling Rieske Dioxygenases: The First Example of Iron-Catalyzed Asymmetric cis-Dihydroxylation of Olefins","Journal of the American Chemical Society","2001","123","","6722","6723","10.1021/ja015601k","","","0.71073","MoKα","","0.0688","0.059","","","0.1999","0.2084","","","","","","1.134","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115615","8.9289","0.0005","14.1467","0.0008","18.5624","0.0011","90","","99.235","0.001","90","","2314.3","0.2","158","2","158","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 N O5 -","- C27 H31 N O5 -","- C108 H124 N4 O20 -","4","1","","William H. Pearson; Yuan Mi; Ill Young Lee; Patrick Stoy","Total Synthesis of the Kopsialapidilecta Alkaloid (\±)-Lapidilectine B","Journal of the American Chemical Society","2001","123","","6724","6725","10.1021/ja016007d","","","0.71073","MoKα","","0.1931","0.0911","","0.1606","0.1272","","","","1.086","1.282","1.282","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115616","9.6777","0.0016","12.76","0.004","12.248","0.002","90","","90.975","0.014","90","","1512.3","0.6","80","2","80","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","hexachlorodiphenyldiazomethane","","","- C13 H4 Cl6 N2 -","- C13 H4 Cl6 N2 -","- C52 H16 Cl24 N8 -","4","1","","Masaki Kawano; Katsuyuki Hirai; Hideo Tomioka; Yuji Ohashi","Structure Analysis of a Transient Triplet Carbene Trapped in a Crystal","Journal of the American Chemical Society","2001","123","","6904","6908","10.1021/ja0106366","","","0.71073","MoKα","","0.0267","0.0218","","","0.0555","0.0567","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115617","9.731","0.002","12.813","0.004","12.254","0.003","90","","90.549","0.016","90","","1527.8","0.7","80","2","80","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H4 Cl6 N2 -","- C13 H4 Cl6 N2 -","- C52 H16 Cl24 N8 -","4","1","","Masaki Kawano; Katsuyuki Hirai; Hideo Tomioka; Yuji Ohashi","Structure Analysis of a Transient Triplet Carbene Trapped in a Crystal","Journal of the American Chemical Society","2001","123","","6904","6908","10.1021/ja0106366","","","0.71073","MoKα","","0.0856","0.0418","","","0.0841","0.0949","","","","","","1.004","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00",""
"4115618","9.1478","0.0005","9.7682","0.0005","26.9267","0.0013","90","","93.805","0.001","90","","2400.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3R*,4R*)-3,4-epoxy-4-(hydroxydiphenyl)methyl-1-phenyl -3-trifluoromethyloct-1-yne","","- C28 H25 F3 O2 -","- C28 H25 F3 O2 -","- C112 H100 F12 O8 -","4","1","","Masaki Shimizu; Takuya Fujimoto; Hiroshi Minezaki; Takeshi Hata; Tamejiro Hiyama","New, General, and Stereoselective Synthesis of CF3-Containing Tri- and Tetrasubstituted Oxiranes and Tetrasubstituted Alkenes","Journal of the American Chemical Society","2001","123","","6947","6948","10.1021/ja016077k","","","0.71073","MoKα","","0.1064","0.0674","","","0.1923","0.2127","","","","","","0.966","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115619","9.236","0.0004","9.8058","0.0005","26.6954","0.0013","90","","96.568","0.001","90","","2401.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3R*,4R*)-3,4-epoxy-4-(hydroxydiphenyl)methyl-1-phenyl -3-trifluoromethyloct-1-ene","","- C28 H27 F3 O2 -","- C28 H27 F3 O2 -","- C112 H108 F12 O8 -","4","1","","Masaki Shimizu; Takuya Fujimoto; Hiroshi Minezaki; Takeshi Hata; Tamejiro Hiyama","New, General, and Stereoselective Synthesis of CF3-Containing Tri- and Tetrasubstituted Oxiranes and Tetrasubstituted Alkenes","Journal of the American Chemical Society","2001","123","","6947","6948","10.1021/ja016077k","","","0.71073","MoKα","","0.0864","0.0649","","","0.1878","0.2085","","","","","","1.011","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115620","5.9675","0.0005","17.107","0.0013","9.1531","0.0007","90","","104.289","0.002","90","","905.5","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H19 F3 -","- C21 H19 F3 -","- C42 H38 F6 -","2","1","","Masaki Shimizu; Takuya Fujimoto; Hiroshi Minezaki; Takeshi Hata; Tamejiro Hiyama","New, General, and Stereoselective Synthesis of CF3-Containing Tri- and Tetrasubstituted Oxiranes and Tetrasubstituted Alkenes","Journal of the American Chemical Society","2001","123","","6947","6948","10.1021/ja016077k","","","0.71073","MoKα","","0.0818","0.0635","","","0.1966","0.2127","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115621","16.2553","0.0007","16.2553","0.0007","15.0336","0.001","90","","90","","90","","3972.4","0.4","173","2","173","2","","","","","","","","3","P 42/n m c :2","-P 4ac 2a","137","","","","- C38 H60 O16 -","- C38 H52 O16 -","- C152 H208 O64 -","4","0.25","","Jerry L. Atwood; Leonard J. Barbour; Timothy J. Ness; Colin L. Raston; Paul L. Raston","A Well-Resolved Ice-like (H2O)8 Cluster in an Organic Supramolecular Complex","Journal of the American Chemical Society","2001","123","","7192","7193","10.1021/ja015757k","","","0.71073","MoKα","","0.084","0.0441","","","0.1096","0.1252","","","","","","0.948","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115622","6.82","0.002","10.45","0.004","10.738","0.003","85.93","0.01","80.161","0.02","87.029","0.02","751.5","0.4","293","","293","","","","","","","","","4","P -1","-P 1","2","","1,5-dimethyl-3-(2-pyridyl)-6-oxoverdazyl: hydroquionone, 1:1 cocrystal","","- C15 H16 N5 O3 -","- C15 H16 N5 O3 -","- C30 H32 N10 O6 -","2","1","","Robin G. Hicks; Martin T. Lemaire; Lars Öhrström; John F. Richardson; Laurence K. Thompson; Zhiqiang Xu","Strong Supramolecular-Based Magnetic Exchange in π-Stacked Radicals. Structure and Magnetism of a Hydrogen-Bonded Verdazyl Radical: Hydroquinone Molecular Solid","Journal of the American Chemical Society","2001","123","","7154","7159","10.1021/ja010725i","","","0.7093","MolybdenumKα","","0.05","0.05","","0.081","0.081","","","","","1.04","1.04","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115623","12.0016","0.0016","17.7331","0.001","15.008","0.002","90","","115.263","0.01","90","","2888.6","0.6","150","","150","","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Br F3 N2 O4 Pt S -","- C21 H28 Br F3 N2 O4 Pt S -","- C84 H112 Br4 F12 N8 O16 Pt4 S4 -","4","1","","Martin Albrecht; Anthony L. Spek; Gerard van Koten","Carenium-Calkyl Bond Making and Breaking: Key Process in the Platinum-Mediated Caryl-Calkyl Bond Formation. Analogies to Organic Electrophilic Aromatic Substitution","Journal of the American Chemical Society","2001","123","","7233","7246","10.1021/ja003685b","","","0.71073","MoKα","","0.0544","0.0395","","","0.0922","0.0962","","","","","","1.006","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115624","10.9657","0.0012","15.9029","0.0014","11.9313","0.0011","90","","93.304","0.008","90","","2077.2","0.3","150","","150","","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 F3 I N2 O4 Pt S -","- C15 H24 F3 I N2 O4 Pt S -","- C60 H96 F12 I4 N8 O16 Pt4 S4 -","4","1","","Martin Albrecht; Anthony L. Spek; Gerard van Koten","Carenium-Calkyl Bond Making and Breaking: Key Process in the Platinum-Mediated Caryl-Calkyl Bond Formation. Analogies to Organic Electrophilic Aromatic Substitution","Journal of the American Chemical Society","2001","123","","7233","7246","10.1021/ja003685b","","","0.71073","MoKα","","0.0605","0.04","","","0.0876","0.0959","","","","","","1.046","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115625","11.168","0.0015","15.415","0.003","16.456","0.003","90","","90","","90","","2833","0.8","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Tp'Rh(CNneopentyl)(ethyl)Cl","","","- C23 H38 B Cl N7 Rh -","- C23 H38 B Cl N7 Rh -","- C92 H152 B4 Cl4 N28 Rh4 -","4","1","","Todd O. Northcutt; Douglas D. Wick; Andrew J. Vetter; William D. Jones","Investigation of the Mechanism of Alkane Reductive Elimination and Skeletal Isomerization in Tp'Rh(CNneopentyl)(R)H Complexes: The Role of Alkane Complexes","Journal of the American Chemical Society","2001","123","","7257","7270","10.1021/ja003944x","","","0.71073","MoKα","","0.0537","0.0365","","0.0962","0.0843","","","","0.616","0.594","0.594","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115626","16.6278","0.0003","13.1465","0.0003","17.4185","0.0003","90","","116.338","0.001","90","","3412.38","0.12","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tp'Rh(CNneopentyl)(n-hexyl)Cl","","","- C28 H48 B Cl3 N7 Rh -","- C28 H48 B Cl3 N7 Rh -","- C112 H192 B4 Cl12 N28 Rh4 -","4","1","","Todd O. Northcutt; Douglas D. Wick; Andrew J. Vetter; William D. Jones","Investigation of the Mechanism of Alkane Reductive Elimination and Skeletal Isomerization in Tp'Rh(CNneopentyl)(R)H Complexes: The Role of Alkane Complexes","Journal of the American Chemical Society","2001","123","","7257","7270","10.1021/ja003944x","","","0.71073","MoKα","","0.0726","0.0486","","0.1257","0.1151","","","","1.096","1.159","1.159","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115627","8.379","0.004","13.572","0.006","13.958","0.005","90","","102.78","0.04","90","","1548","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl Mo N2 O2 -","- C15.556 H14.668 Cl0.444 Mo N2 O2 -","- C62.224 H58.672 Cl1.776 Mo4 N8 O8 -","4","1","","Julio Pérez; Lucía Riera; Víctor Riera; Santiago García-Granda; Esther García-Rodríguez","Reactivity of [MoX(η3-allyl)(CO)2(N-N)] Complexes with Simple, Nonstabilized Carbanions","Journal of the American Chemical Society","2001","123","","7469","7470","10.1021/ja015538z","","","0.71073","MoKα","","0.1063","0.0415","","","0.1008","0.1234","","","","","","1.008","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00",""
"4115628","9.32","0.06","12.351","0.01","14.38","0.06","90","","100.8","0.5","90","","1626","13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl Mo N2 O2 -","- C17.246 H13.738 Cl0.754 Mo N2 O2 -","- C68.984 H54.952 Cl3.016 Mo4 N8 O8 -","4","1","","Julio Pérez; Lucía Riera; Víctor Riera; Santiago García-Granda; Esther García-Rodríguez","Reactivity of [MoX(η3-allyl)(CO)2(N-N)] Complexes with Simple, Nonstabilized Carbanions","Journal of the American Chemical Society","2001","123","","7469","7470","10.1021/ja015538z","","","0.71073","MoKα","","0.098","0.0471","","","0.1215","0.144","","","","","","1.064","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00",""
"4115629","14.2184","0.0011","20.7021","0.0015","7.5034","0.0006","90","","98.479","0.002","90","","2184.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 N4 O8 -","- C50 H52 N4 O8 -","- C100 H104 N8 O16 -","2","0.5","","Yong S. Chong; Mark D. Smith; Ken D. Shimizu","A Conformationally Programmable Ligand","Journal of the American Chemical Society","2001","123","","7463","7464","10.1021/ja0158713","","","0.71073","MoKα","","0.0609","0.0533","","","0.1554","0.162","","","","","","1.056","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115630","11.2844","0.0009","11.4009","0.0009","18.2311","0.0014","80.542","0.001","73.825","0.002","82.607","0.002","2213.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H48 Cl2 N4 O7 Pd -","- C49 H48.006 Cl2 N4 O7 Pd -","- C98 H96.012 Cl4 N8 O14 Pd2 -","2","1","","Yong S. Chong; Mark D. Smith; Ken D. Shimizu","A Conformationally Programmable Ligand","Journal of the American Chemical Society","2001","123","","7463","7464","10.1021/ja0158713","","","0.71073","MoKα","","0.0655","0.0466","","","0.1118","0.1184","","","","","","0.984","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115631","14.4792","0.0002","14.5693","0.0002","19.7456","0.0003","90","","90","","90","","4165.37","0.1","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","RuH2(R-binap)(tmen)","","","- C50 H50 N2 P2 Ru -","- C50 H50 N2 P2 Ru -","- C200 H200 N8 P8 Ru4 -","4","1","","Kamaluddin Abdur-Rashid; Michael Faatz; Alan J. Lough; Robert H. Morris","Catalytic Cycle for the Asymmetric Hydrogenation of Prochiral Ketones to Chiral Alcohols: Direct Hydride and Proton Transfer from Chiral Catalysts trans-Ru(H)2(diphosphine)(diamine) to Ketones and Direct Addition of Dihydrogen to the Resulting Hydridoamido Complexes","Journal of the American Chemical Society","2001","123","","7473","7474","10.1021/ja015902u","","","0.71073","MoKα","","0.0435","0.0342","","","0.0699","0.0739","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115632","11.196","0.0008","11.196","0.0008","72.929","0.0018","90","","90","","90","","9141.7","1","150","1","150","1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","RuHCl(R-binap)(tmen)","","","- C50 H49 Cl N2 P2 Ru -","- C50 H49 Cl N2 P2 Ru -","- C400 H392 Cl8 N16 P16 Ru8 -","8","1","","Kamaluddin Abdur-Rashid; Michael Faatz; Alan J. Lough; Robert H. Morris","Catalytic Cycle for the Asymmetric Hydrogenation of Prochiral Ketones to Chiral Alcohols: Direct Hydride and Proton Transfer from Chiral Catalysts trans-Ru(H)2(diphosphine)(diamine) to Ketones and Direct Addition of Dihydrogen to the Resulting Hydridoamido Complexes","Journal of the American Chemical Society","2001","123","","7473","7474","10.1021/ja015902u","","","0.7107","MoKα","","0.0879","0.0808","","","0.1749","0.1777","","","","","","1.219","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115633","17.833","0.002","21.556","0.005","9.518","0.002","90","","90","","90","","3658.8","1.2","20","","20","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H39 Fe N2 O3 P -","- C172 H156 Fe4 N8 O12 P4 -","- C172 H156 Fe4 N8 O12 P4 -","","","","Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai","Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands","Journal of the American Chemical Society","2001","123","","7471","7472","10.1021/ja016121w","","","0.7107","MoKalpha","","","0.051","","","0.052","","","","","1.43","1.43","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115634","13.701","0.003","19.894","0.002","13.366","0.003","90","","90","","90","","3643.1","1.2","20","","20","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H41 Fe N2 O3 P -","- C160 H164 Fe4 N8 O12 P4 -","- C160 H164 Fe4 N8 O12 P4 -","","","","Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai","Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands","Journal of the American Chemical Society","2001","123","","7471","7472","10.1021/ja016121w","","","0.7107","MoKalpha","","","0.04","","","0.043","","","","","1.44","1.44","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115635","11.146","0.003","14.417","0.002","11.537","0.003","90","","103.18","0.02","90","","1805.1","0.7","20","","20","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H43 Fe N2 O3 P -","- C82 H86 Fe2 N4 O6 P2 -","- C82 H86 Fe2 N4 O6 P2 -","","","","Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai","Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands","Journal of the American Chemical Society","2001","123","","7471","7472","10.1021/ja016121w","","","0.7107","MoKalpha","","","0.053","","","0.053","","","","","1.63","1.63","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115636","11.69","0.001","11.872","0.002","13.39","0.001","90","","92.229","0.008","90","","1856.9","0.4","20","","20","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H41 Fe N2 O3 P -","- C88 H82 Fe2 N4 O6 P2 -","- C88 H82 Fe2 N4 O6 P2 -","","","","Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai","Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands","Journal of the American Chemical Society","2001","123","","7471","7472","10.1021/ja016121w","","","0.7107","MoKalpha","","","0.042","","","0.045","","","","","1.42","1.42","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115637","17.917","0.002","19.423","0.007","9.987","0.001","90","","90","","90","","3475.5","1.4","20","","20","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H41 Fe N2 O3 P -","- C160 H164 Fe4 N8 O12 P4 -","- C160 H164 Fe4 N8 O12 P4 -","","","","Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai","Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands","Journal of the American Chemical Society","2001","123","","7471","7472","10.1021/ja016121w","","","0.7107","MoKalpha","","","0.038","","","0.04","","","","","1.27","1.27","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115638","20.1716","0.0005","20.1716","0.0005","41.23","0.0017","90","","90","","90","","16776.2","0.9","298","2","298","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C61 H56 F24 Mn2 N4 O12 -","- C61 H56 F24 Mn2 N4 O12 -","- C488 H448 F192 Mn16 N32 O96 -","8","1","","Fabrice Mathevet; Dominique Luneau","Interpenetrated 3D Polymeric Metal-Radical Networks Built from a Tetranitroxide Radical and Bis(hexafluoroacethylacetonato) Manganese(II)","Journal of the American Chemical Society","2001","123","","7465","7466","10.1021/ja016133h","","","0.71073","MoKα","","0.2469","0.0761","","","0.2138","0.2495","","","","","","0.98","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115639","12.795","0.003","13.032","0.003","20.864","0.005","81.911","0.005","84.45","0.005","70.545","0.004","3243","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H10 Ag16 F36 O29 -","- C28 Ag16 F36 O29 -","- C56 Ag32 F72 O58 -","2","1","","Quan-Ming Wang; Thomas C. W. Mak","Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates","Journal of the American Chemical Society","2001","123","","7594","7600","10.1021/ja0043441","","","0.71073","MoKα","","0.15","0.075","","","0.1866","0.2216","","","","","","0.91","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115640","35.465","0.003","7.8927","0.0006","31.241","0.002","90","","121.858","0.001","90","","7427.5","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H9 Ag8 F18 N3 O12 -","- C21 Ag8 F18 N2 O12 -","- C168 Ag64 F144 N16 O96 -","8","1","","Quan-Ming Wang; Thomas C. W. Mak","Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates","Journal of the American Chemical Society","2001","123","","7594","7600","10.1021/ja0043441","","","0.71073","MoKα","","0.1195","0.0622","","","0.1791","0.2104","","","","","","0.944","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115641","17.205","0.002","32.735","0.004","27.257","0.004","90","","106.021","0.003","90","","14755","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H40 Ag31 F69 N7 O48.5 -","- C75 Ag31 F69 N7 O48.5 -","- C300 Ag124 F276 N28 O194 -","4","1","","Quan-Ming Wang; Thomas C. W. Mak","Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates","Journal of the American Chemical Society","2001","123","","7594","7600","10.1021/ja0043441","","","0.71073","MoKα","","0.1502","0.0595","","","0.1306","0.1559","","","","","","0.908","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115642","15.6","0.0012","16.9494","0.0013","17.1426","0.0013","111.716","0.002","94.238","0.002","104.719","0.002","4001.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H19 Ag12 F50 O29.5 -","- C32 Ag12 F50 O29.5 -","- C64 Ag24 F100 O59 -","2","1","","Quan-Ming Wang; Thomas C. W. Mak","Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates","Journal of the American Chemical Society","2001","123","","7594","7600","10.1021/ja0043441","","","0.71073","MoKα","","0.1348","0.0456","","","0.1062","0.1189","","","","","","0.75","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115643","16.083","0.0012","19.9707","0.0015","21.994","0.0016","90","","94.935","0.002","90","","7038","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H11 Ag11 F45 N3 O19 -","- C35 Ag11 F45 N3 O19 -","- C140 Ag44 F180 N12 O76 -","4","1","","Quan-Ming Wang; Thomas C. W. Mak","Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates","Journal of the American Chemical Society","2001","123","","7594","7600","10.1021/ja0043441","","","0.71073","MoKα","","0.0939","0.0478","","","0.1241","0.1338","","","","","","0.816","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115644","11.685","0.003","16.439","0.004","25.22","0.006","90","","93.486","0.005","90","","4836","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H10 Ag8 F30 N2 O12 -","- C26 Ag8 F30 N2 O12 -","- C104 Ag32 F120 N8 O48 -","4","1","","Quan-Ming Wang; Thomas C. W. Mak","Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates","Journal of the American Chemical Society","2001","123","","7594","7600","10.1021/ja0043441","","","0.71073","MoKα","","0.1365","0.0504","","","0.116","0.1442","","","","","","0.864","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115645","7.225","0.0006","7.225","0.0006","16.438","0.002","90","","90","","120","","743.11","0.13","153","2","153","2","","","","","","","","7","P 31 2 1","P 31 2""","152","none","","","- C2 H4 F2 Mo0.5 N O2 Zn0.5 -","- C2 H4 F2 Mo0.5 N O2 Zn0.5 -","- C12 H24 F12 Mo3 N6 O12 Zn3 -","6","1","","Paul A. Maggard; Charlotte L. Stern; Kenneth R. Poeppelmeier","Understanding the Role of Helical Chains in the Formation of Noncentrosymmetric Solids","Journal of the American Chemical Society","2001","123","","7742","7743","10.1021/ja016055y","","","0.71073","MoKα","","0.0234","0.0229","","","0.0549","0.0556","","","","","","0.553","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115646","9.4424","0.0015","9.4424","0.0015","9.4424","0.0015","97.93","0.01","97.93","0.01","97.93","0.01","815.2","0.2","393","2","393","2","","","","","","","","5","R 3 :R","P 3*","146","","","","- C30 H41 K O6 Si -","- C30 H43 K O6 Si -","- C30 H43 K O6 Si -","1","0.333333","","Michael J. Bearpark; G. Sean McGrady; Paul D. Prince; Jonathan W. Steed","The First Structurally Characterized Hypervalent Silicon Hydride: Unexpected Molecular Geometry and Si-H...K Interactions","Journal of the American Chemical Society","2001","123","","7736","7737","10.1021/ja0162616","","","0.71073","MoKα","","0.0862","0.0462","","","0.079","0.0933","","","","","","1.024","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115647","9.3861","0.0005","20.2252","0.001","16.5969","0.001","90","","103.54","0.003","90","","3063.1","0.3","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H41 K O6 Si -","- C30 H41 K O6 Si -","- C120 H164 K4 O24 Si4 -","4","1","","Michael J. Bearpark; G. Sean McGrady; Paul D. Prince; Jonathan W. Steed","The First Structurally Characterized Hypervalent Silicon Hydride: Unexpected Molecular Geometry and Si-H...K Interactions","Journal of the American Chemical Society","2001","123","","7736","7737","10.1021/ja0162616","","","0.71073","MoKα","","0.1095","0.0527","","","0.1039","0.1232","","","","","","1.018","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115648","26.574","0.004","10.2177","0.0015","28.363","0.007","90","","92.702","0.002","90","","7693","2","183","2","183","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C78 H70 Cl12 I2 O6 W -","- C78 H70 Cl12 I2 O6 W -","- C312 H280 Cl48 I8 O24 W4 -","4","0.5","","Arkadi Vigalok; Zhengguo Zhu; Timothy M. Swager","Conducting Polymers Incorporating Tungsten-Capped Calixarenes","Journal of the American Chemical Society","2001","123","","7917","7918","10.1021/ja0160142","","","0.71073","MoKα","","0.1175","0.0778","","","0.197","0.2144","","","","","","1.072","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115649","12.279","0.003","12.373","0.004","15.036","0.004","77.306","0.005","85.491","0.005","78.231","0.005","2180.3","1.1","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Cl4 O10 S2 W -","- C48 H36 Cl4 O10 S2 W -","- C96 H72 Cl8 O20 S4 W2 -","2","1","","Arkadi Vigalok; Zhengguo Zhu; Timothy M. Swager","Conducting Polymers Incorporating Tungsten-Capped Calixarenes","Journal of the American Chemical Society","2001","123","","7917","7918","10.1021/ja0160142","","","0.71073","MoKα","","0.0621","0.051","","","0.1172","0.1231","","","","","","1.079","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115650","19.7106","0.0018","22.1508","0.0019","27.13","0.002","90","","90","","90","","11845.1","1.7","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H70 Cl16 N6 Si8 -","- C28 H70 Cl16 N6 Si8 -","- C224 H560 Cl128 N48 Si64 -","8","1","","Seok-Bong Choi; Beon-Kyu Kim; Philip Boudjouk; Dean G. Grier","Amine-Promoted Disproportionation and Redistribution of Trichlorosilane: Formation of Tetradecachlorocyclohexasilane Dianion1","Journal of the American Chemical Society","2001","123","","8117","8118","10.1021/ja002831a","","","0.71073","MoKα","","0.1329","0.0638","","","0.1579","0.1967","","","","","","1.045","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115651","8.8594","0.0009","9.8398","0.001","10.4018","0.0011","117.115","0.002","102.521","0.002","98.701","0.002","754.58","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 Li2 N2 O2 -","- C30 H48 Li2 N2 O2 -","- C30 H48 Li2 N2 O2 -","1","0.5","","Hans J. Reich; Wayne S. Goldenberg; Birgir Ö. Gudmundsson; Aaron W. Sanders; Klaus J. Kulicke; Katya Simon; Ilia A. Guzei","Amine-Chelated Aryllithium Reagents Structure and Dynamics","Journal of the American Chemical Society","2001","123","","8067","8079","10.1021/ja010489b","","","0.71073","MoKα","","0.0742","0.0524","","","0.1497","0.1616","","","","","","1.013","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115652","14.4314","0.001","14.9036","0.0011","19.5363","0.0013","72.994","0.001","72.148","0.002","69.476","0.001","3664.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H107 Li6 O5 -","- C72 H106 Li6 O5 -","- C144 H212 Li12 O10 -","2","1","","Bao-Tsan Ko; Chu-Chieh Lin","Synthesis, Characterization, and Catalysis of Mixed-Ligand Lithium Aggregates, Excellent Initiators for the Ring-Opening Polymerization of l-Lactide","Journal of the American Chemical Society","2001","123","","7973","7977","10.1021/ja010604i","","","0.71073","MoKα","","0.1723","0.0828","","","0.2131","0.2453","","","","","","1.127","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115653","15.116","0.003","15.529","0.003","18.533","0.004","112.709","0.004","96.635","0.004","109.956","0.004","3615.5","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H102 Li6 O6 -","- C74 H102 Li6 O6 -","- C148 H204 Li12 O12 -","2","1","","Bao-Tsan Ko; Chu-Chieh Lin","Synthesis, Characterization, and Catalysis of Mixed-Ligand Lithium Aggregates, Excellent Initiators for the Ring-Opening Polymerization of l-Lactide","Journal of the American Chemical Society","2001","123","","7973","7977","10.1021/ja010604i","","","0.71073","MoKα","","0.1502","0.0719","","","0.1886","0.2247","","","","","","1.054","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115654","14.3036","0.0015","18.577","0.002","26.811","0.003","90","","98.519","0.002","90","","7045.6","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H106 Li6 O8 -","- C68 H106 Li6 O8 -","- C272 H424 Li24 O32 -","4","1","","Bao-Tsan Ko; Chu-Chieh Lin","Synthesis, Characterization, and Catalysis of Mixed-Ligand Lithium Aggregates, Excellent Initiators for the Ring-Opening Polymerization of l-Lactide","Journal of the American Chemical Society","2001","123","","7973","7977","10.1021/ja010604i","","","0.71073","MoKα","","0.2154","0.0759","","","0.1824","0.2353","","","","","","0.927","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115655","15.5294","0.0009","20.5554","0.0011","13.9577","0.0007","90","","91.62","0.002","90","","4453.7","0.4","165","2","165","2","","","","","","","synthetic","6","C 1 2/m 1","-C 2y","12","","","","- C54 H114 N6 O3 Re6 Se8 -","- C50 N9 O3 Re6 Se8 -","- C100 N18 O6 Re12 Se16 -","2","0.25","","Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long","Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance","Journal of the American Chemical Society","2001","123","","8022","8032","10.1021/ja0110473","","","0.71073","MoKα","","0.0974","0.0665","","0.1849","0.1713","","","","0.917","1.139","1.139","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115656","14.2455","0.001","14.2455","0.001","14.2455","0.001","90","","90","","90","","2890.9","0.4","174","2","174","2","","","","","","","synthetic","7","F m -3 m","-F 4 2 3","225","","","","- C18 H72 Fe4 N18 O36 Re18 Se24 -","- C18 Fe4 N18 O34.8 Re18 Se24 -","- C18 Fe4 N18 O34.8 Re18 Se24 -","1","0.00520833","","Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long","Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance","Journal of the American Chemical Society","2001","123","","8022","8032","10.1021/ja0110473","","","0.71073","MoKα","","0.0289","0.0245","","0.0672","0.0659","","","","1.148","1.23","1.23","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115657","14.23659","0.00021","14.23659","","14.23659","","90","","90","","90","","2885.48","0.04","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C4 N4 Ni O11.45 Re4 Se5.33 -","- C4.00002 N4.00002 Ni O11.4533 Re4.00002 Se5.33336 -","- C16.0001 N16.0001 Ni4 O45.8131 Re16.0001 Se21.3334 -","4","0.0208333","","Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long","Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance","Journal of the American Chemical Society","2001","123","","8022","8032","10.1021/ja0110473","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4115658","14.13025","0.00012","14.13025","","14.13025","","90","","90","","90","","2821.3","0.02","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C6 Ga N6 O8 Re6 Se8 -","- C6 Ga N6 O8 Re6 Se8 -","- C24 Ga4 N24 O32 Re24 Se32 -","4","0.0208333","","Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long","Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance","Journal of the American Chemical Society","2001","123","","8022","8032","10.1021/ja0110473","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4115659","12.7255","0.001","12.7255","0.001","13.6945","0.0015","90","","90","","120","","1920.6","0.3","157","2","157","2","","","","","","","synthetic","7","P 31 2 1","P 31 2""","152","","","","- C6 H9 Fe N6 O4 Re6 Se8 -","- C6 Fe N6 O4 Re6 Se8 -","- C18 Fe3 N18 O12 Re18 Se24 -","3","0.5","","Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long","Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance","Journal of the American Chemical Society","2001","123","","8022","8032","10.1021/ja0110473","","","0.71073","MoKα","","0.0773","0.0353","","0.0518","0.047","","","","0.84","0.959","0.959","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115660","8.643","0.002","15.147","0.003","9.364","0.002","90","","113.28","0.03","90","","1126.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C44 H64 N8 O4 -","4","1","","Helfried Neumann; Axel Jacobi von Wangelin; Dirk Gördes; Anke Spannenberg; Matthias Beller","A New Multicomponent Coupling of Aldehydes, Amides, and Dienophiles: Atom-Efficient One-Pot Synthesis of Highly Substituted Cyclohexenes and Cyclohexadienes","Journal of the American Chemical Society","2001","123","","8398","8399","10.1021/ja010503k","","","0.71073","MoKα","","0.0945","0.0562","","0.1614","0.1465","","","","0.892","1.104","1.104","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115661","12.245","0.003","16.533","0.004","21.36","0.004","90","","96.348","0.005","90","","4297.7","1.7","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H75 B F4 N2 P2 Pt -","- C41 H75 B F4 N2 P2 Pt -","- C164 H300 B4 F16 N8 P8 Pt4 -","4","1","","David S. McGuinness; Kingsley J. Cavell; Brian F. Yates; Brian W. Skelton; Allan H. White","Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study","Journal of the American Chemical Society","2001","123","","8317","8328","10.1021/ja010628p","","","0.71073","MoKα","","0.074","0.038","","0.044","","0.04","","","1.035","","","1.155","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4115662","18.989","0.001","15.97","0.001","15.586","0.001","90","","90","","90","","4726.5","0.5","150","","150","","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C45 H46 B Cl4 F4 I N2 P2 Pt -","- C45 H46 B Cl4 F4 I N2 P2 Pt -","- C180 H184 B4 Cl16 F16 I4 N8 P8 Pt4 -","4","0.5","","David S. McGuinness; Kingsley J. Cavell; Brian F. Yates; Brian W. Skelton; Allan H. White","Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study","Journal of the American Chemical Society","2001","123","","8317","8328","10.1021/ja010628p","","","0.71073","MoKα","","0.084","0.045","","0.056","","0.053","","","1.23","","","1.419","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4115663","13.479","0.0007","19.785","0.001","15.6967","0.0009","90","","90","","90","","4186","0.4","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C43 H62 Cl2 O P2 Pd -","- C43 H62 Cl2 O P2 Pd -","- C172 H248 Cl8 O4 P8 Pd4 -","4","1","","David S. McGuinness; Kingsley J. Cavell; Brian F. Yates; Brian W. Skelton; Allan H. White","Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study","Journal of the American Chemical Society","2001","123","","8317","8328","10.1021/ja010628p","","","0.71073","MoKα","","0.067","0.046","","0.056","","0.05","","","1.573","","","1.599","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4115664","11.5338","0.0007","15.0977","0.0009","15.1892","0.0009","85.795","0.002","75.59","0.002","75.522","0.002","2480.2","0.3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H79 B Cl4 F4 N2 P2 Pt -","- C43 H79 B Cl4 F4 N2 P2 Pt -","- C86 H158 B2 Cl8 F8 N4 P4 Pt2 -","2","1","","David S. McGuinness; Kingsley J. Cavell; Brian F. Yates; Brian W. Skelton; Allan H. White","Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study","Journal of the American Chemical Society","2001","123","","8317","8328","10.1021/ja010628p","","","0.71073","MoKα","","0.086","0.045","","0.043","","0.039","","","0.949","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4115665","9.8468","0.0005","14.0391","0.0007","16.0009","0.0008","90","","90","","90","","2211.97","0.19","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dichloro-{2-[2-(ethenyloxy)ethyl]pyridine}palladium(II)","","- C9 H11 Cl2 N O Pd -","- C9 H11 Cl2 N O Pd -","- C72 H88 Cl16 N8 O8 Pd8 -","8","1","","Peter Nilsson; Mats Larhed; Anders Hallberg","Highly Regioselective, Sequential, and Multiple Palladium-Catalyzed Arylations of Vinyl Ethers Carrying a Coordinating Auxiliary: An Example of a Heck Triarylation Process","Journal of the American Chemical Society","2001","123","","8217","8225","10.1021/ja011019k","","","0.71073","MoKα","","0.027","0.0218","","","0.0506","0.0519","","","","","","0.987","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00",""
"4115666","17.9444","0.0013","11.6019","0.0009","8.2731","0.0006","90","","99.22","0.002","90","","1700.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro bis-{N,N-Dimethyl-2[(2,2 diphenyl) ethenyloxy]ethanamine} palladium(II)","","- C36 H42 Cl2 N2 O2 Pd -","- C36 H42 Cl2 N2 O2 Pd -","- C72 H84 Cl4 N4 O4 Pd2 -","2","0.5","","Peter Nilsson; Mats Larhed; Anders Hallberg","Highly Regioselective, Sequential, and Multiple Palladium-Catalyzed Arylations of Vinyl Ethers Carrying a Coordinating Auxiliary: An Example of a Heck Triarylation Process","Journal of the American Chemical Society","2001","123","","8217","8225","10.1021/ja011019k","","","0.71073","MoKα","","0.0837","0.0385","","","0.0543","0.0605","","","","","","0.789","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00",""
"4115667","8.223","0.002","17.301","0.005","7.433","0.002","90","","111.931","0.005","90","","980.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro-{2-[ethenyloxymethyl]pyridine}palladium","","- C8 H9 Cl2 N O Pd -","- C8 H9 Cl2 N O Pd -","- C32 H36 Cl8 N4 O4 Pd4 -","4","1","","Peter Nilsson; Mats Larhed; Anders Hallberg","Highly Regioselective, Sequential, and Multiple Palladium-Catalyzed Arylations of Vinyl Ethers Carrying a Coordinating Auxiliary: An Example of a Heck Triarylation Process","Journal of the American Chemical Society","2001","123","","8217","8225","10.1021/ja011019k","","","0.71073","MoKα","","0.0257","0.0212","","","0.0471","0.0482","","","","","","0.955","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115668","21.2081","0.0002","14.743","0.0002","29.3458","0.0006","90","","90","","90","","9175.6","0.2","153.2","","153.2","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C36 H74 Cl Fe N4 O Si2 Ta -","- C42 H64 Cl Fe N4 Si2 Ta -","- C336 H512 Cl8 Fe8 N32 Si16 Ta8 -","8","1","","Joseph A. R. Schmidt; John Arnold","Reactivity of a Tantalum-Lithium Alkylidene Supported by an Anionic Triazacyclononane Ligand","Journal of the American Chemical Society","2001","123","","8424","8425","10.1021/ja016143i","","","0.7107","MoKα","","0.1067","0.0333","","0.0539","0.0372","","","","","0.875","0.875","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115669","11.5447","0.0002","13.0903","0.0001","13.6676","0.0002","63.756","0.001","84.93","0.001","77.214","0.001","1806.54","0.05","168.2","","168.2","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H60 Li N4 O Si Ta -","- C34 H60 Li N4 O Si Ta -","- C68 H120 Li2 N8 O2 Si2 Ta2 -","2","1","","Joseph A. R. Schmidt; John Arnold","Reactivity of a Tantalum-Lithium Alkylidene Supported by an Anionic Triazacyclononane Ligand","Journal of the American Chemical Society","2001","123","","8424","8425","10.1021/ja016143i","","","0.7107","MoKα","","0.0264","0.0209","","0.0963","0.0696","","","","","2.736","2.736","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115670","17.1859","0.0003","19.2859","0.0003","24.3778","0.0004","90","","90","","90","","8079.9","0.2","166.2","","166.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C33 H64 Li N4 O Si2 Ta -","- C34 H60 Li N4 O Si2 Ta -","- C272 H480 Li8 N32 O8 Si16 Ta8 -","8","1","","Joseph A. R. Schmidt; John Arnold","Reactivity of a Tantalum-Lithium Alkylidene Supported by an Anionic Triazacyclononane Ligand","Journal of the American Chemical Society","2001","123","","8424","8425","10.1021/ja016143i","","","0.7107","MoKα","","0.0596","0.025","","0.0366","0.0283","","","","","0.79","0.79","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115671","11.005","0.0002","13.5425","0.0003","17.5754","0.0004","108.303","0.001","93.722","0.001","95.154","0.001","2464.74","0.09","149.2","","149.2","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H86 N4 O Rh Si2 Ta -","- C44 H86 N4 O Rh Si2 Ta -","- C88 H172 N8 O2 Rh2 Si4 Ta2 -","2","1","","Joseph A. R. Schmidt; John Arnold","Reactivity of a Tantalum-Lithium Alkylidene Supported by an Anionic Triazacyclononane Ligand","Journal of the American Chemical Society","2001","123","","8424","8425","10.1021/ja016143i","","","0.7107","MoKα","","0.0557","0.0404","","0.0524","0.0444","","","","","1.436","1.436","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115672","23.7459","0.0004","16.1047","0.0002","27.4967","0.0005","90","","96.4411","0.0005","90","","10448.9","0.3","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H134 Cl2 N8 O16 Zn -","- C104 H121 Cl2 N8 O16 Zn -","- C416 H484 Cl8 N32 O64 Zn4 -","4","1","","Olivier Sénèque; Marie-Noëlle Rager; Michel Giorgi; Olivia Reinaud","Supramolecular Stabilization of a Tris(imidazolyl) Zn-Aqua Complex Evidenced by X-ray Analysis: A Structural Model for Mono-Zinc Active Sites of Enzymes","Journal of the American Chemical Society","2001","123","","8442","8443","10.1021/ja016345e","","","0.7107","MoKα","","0.1114","0.084","","","0.2129","0.2404","","","","","","1.178","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115673","18.1176","0.0014","9.5777","0.0011","25.2917","0.0007","90","","100.156","0.0007","90","","4320","0.6","180.2","","180.2","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C43 H46 Cl4 N2 O2 P2 Ru2 -","- C43 H46 Cl4 N2 O2 P2 Ru2 -","- C172 H184 Cl16 N8 O8 P8 Ru8 -","4","1","","Craig B. Pamplin; Erin S. F. Ma; Nasser Safari; Steven J. Rettig; Brian R. James","The Nitrous Oxide Complex, RuCl2(η1-N2O)(P-N)(PPh3) (P-N = [o-(N,N-Dimethylamino)phenyl]diphenylphosphine); Low Temperature Conversion of N2O to N2 and O2","Journal of the American Chemical Society","2001","123","","8596","8597","10.1021/ja0106319","","","0.7107","MoKα","","0.1525","0.055","","0.0984","","0.04","","","1.347","","","1.347","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115674","13.312","0.008","13.982","0.009","13.995","0.009","61.16","0.02","82.34","0.02","86.58","0.02","2261","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","Li tetraaquo [B-hexamethyl 9-mercuracarborand-3]2 iodide","","","- C14 H49 B30 Hg3 I0.5 Li0.5 N O2 -","- C14 H49 B30 Hg3 I0.5 Li0.5 N O2 -","- C28 H98 B60 Hg6 I Li N2 O4 -","2","1","","Hans Lee; Carolyn B. Knobler; M. Frederick Hawthorne","Octahedral Coordination of Halide Ions (I-, Br-, Cl-) Sandwich Bonded with Tridentate Mercuracarborand-3 Receptors","Journal of the American Chemical Society","2001","123","","8543","8549","10.1021/ja010755l","","","0.71073","MoKα","","0.1635","0.0628","","0.1709","0.1286","","","","1.018","1.108","1.108","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115675","24.671","0.008","17.576","0.006","26.079","0.008","90","","106.424","0.006","90","","10847","6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","triphenylmethylphosphonium [(B-hexamethyl 9-mercuracarborand-3)2.Br]","","","- C24.5 H56.5 B30 Br0.5 Hg3 O1.5 P0.5 -","- C24.5 H55.5 B30 Br0.5 Hg3 O1.5 P0.5 -","- C196 H444 B240 Br4 Hg24 O12 P4 -","8","1","","Hans Lee; Carolyn B. Knobler; M. Frederick Hawthorne","Octahedral Coordination of Halide Ions (I-, Br-, Cl-) Sandwich Bonded with Tridentate Mercuracarborand-3 Receptors","Journal of the American Chemical Society","2001","123","","8543","8549","10.1021/ja010755l","","","0.71073","MoKα","","0.0826","0.0607","","","0.1505","0.1578","","","","","","1.075","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115676","37.267","0.015","29.254","0.012","10.99","0.004","90","","100.659","0.007","90","","11775","8","298","2","298","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","PPN [B-hexamethyl 9-mercuracarborand-3]2.Cl","","","- C60 H114 B60 Cl Hg6 N P2 -","- C60 H114 B60 Cl Hg6 N P2 -","- C240 H456 B240 Cl4 Hg24 N4 P8 -","4","0.5","","Hans Lee; Carolyn B. Knobler; M. Frederick Hawthorne","Octahedral Coordination of Halide Ions (I-, Br-, Cl-) Sandwich Bonded with Tridentate Mercuracarborand-3 Receptors","Journal of the American Chemical Society","2001","123","","8543","8549","10.1021/ja010755l","","","0.71073","MoKα","","0.1437","0.09","","","0.2206","0.2545","","","","","","0.968","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115677","15.3559","0.0004","21.8104","0.0006","23.3825","0.0006","100.034","0.001","100.712","0.001","107.426","0.001","7117.4","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H66.5 Cl N4 S4 -","- C74 H66.5 Cl N4 S4 -","- C296 H266 Cl4 N16 S16 -","4","2","","Venkataramanarao G. Anand; Simi K. Pushpan; Sundararaman Venkatraman; Abhishek Dey; Tavarekere K. Chandrashekar; Bhavani S. Joshi; Raja Roy; Weijie Teng; Karin Ruhlandt Senge","34π Octaphyrin: First Structural Characterization of a Planar, Aromatic [1.0.1.0.1.0.1.0] Octaphyrin with Inverted Heterocyclic Rings","Journal of the American Chemical Society","2001","123","","8620","8621","10.1021/ja011265w","","","0.71073","MoKα","","0.0924","0.0662","","","0.1795","0.1942","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115678","22.6333","0.0011","13.1125","0.0007","24.0252","0.0012","90","","112.635","0.001","90","","6581","0.6","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H66 Ir2 N2 P4 S2 -","- C76 H66 Ir2 N2 P4 S2 -","- C304 H264 Ir8 N8 P16 S8 -","4","0.5","","Rachel C. Linck; Robert J. Pafford; Thomas B. Rauchfuss","Heterolytic and Homolytic Activation of Dihydrogen at an Unusual Iridium (II) Sulfide","Journal of the American Chemical Society","2001","123","","8856","8857","10.1021/ja010603q","","","0.71073","MoKα","","0.0668","0.0376","","","0.0791","0.0869","","","","","","0.977","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115679","23.3048","0.0013","13.1143","0.0007","24.1374","0.0013","90","","114.435","0.001","90","","6716.3","0.6","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H74 Ir2 O2 P4 S2 -","- C78 H74 Ir2 O2 P4 S2 -","- C312 H296 Ir8 O8 P16 S8 -","4","0.5","","Rachel C. Linck; Robert J. Pafford; Thomas B. Rauchfuss","Heterolytic and Homolytic Activation of Dihydrogen at an Unusual Iridium (II) Sulfide","Journal of the American Chemical Society","2001","123","","8856","8857","10.1021/ja010603q","","","0.71073","MoKα","","0.057","0.0312","","","0.0608","0.0659","","","","","","0.822","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00",""
"4115680","15.04","0.007","8.051","0.004","18.332","0.008","90","","100.738","0.007","90","","2180.9","1.8","293","2","293","2","","","","","","","original synthesis","4","P 1 21/n 1","-P 2yn","14","","","","- Ag4 I4 O24 U4 -","- Ag4 I4 O24 U4 -","- Ag16 I16 O96 U16 -","4","1","","Amanda C. Bean; Charles F. Campana; Ohyun Kwon; Thomas E. Albrecht-Schmitt","A New Oxoanion: [IO4]3- Containing I(V) with a Stereochemically Active Lone-Pair in the Silver Uranyl Iodate Tetraoxoiodate(V), Ag4(UO2)4(IO3)2(IO4)2O2","Journal of the American Chemical Society","2001","123","","8806","8810","10.1021/ja011204y","","","0.71073","MoKα","","0.0721","0.0514","","0.1077","0.0999","","","","1.042","1.126","1.126","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115681","18.51","0.003","13.4478","0.0018","7.6928","0.001","90","","101.552","0.003","90","","1876.1","0.5","290","2","290","2","","","","","","","","6","I 1 m 1","I -2y","8","ITQ4","","","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","1","0.25","","Luis A. Villaescusa; Paul S. Wheatley; Ivor Bull; Philip Lightfoot; Russell E. Morris","The Location and Ordering of Fluoride Ions in Pure Silica Zeolites with Framework Types IFR and STF; Implications for the Mechanism of Zeolite Synthesis in Fluoride Media","Journal of the American Chemical Society","2001","123","","8797","8805","10.1021/ja016113f","","","0.6994","","","0.0577","0.0525","","","0.1316","0.135","","","","","","1.05","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115682","18.571","0.0008","13.4943","0.0006","7.7153","0.0003","90","","102.302","0.001","90","","1889.08","0.14","30","2","30","2","","","","","","","","6","I 1 m 1","I -2y","8","","","","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","1","0.25","","Luis A. Villaescusa; Paul S. Wheatley; Ivor Bull; Philip Lightfoot; Russell E. Morris","The Location and Ordering of Fluoride Ions in Pure Silica Zeolites with Framework Types IFR and STF; Implications for the Mechanism of Zeolite Synthesis in Fluoride Media","Journal of the American Chemical Society","2001","123","","8797","8805","10.1021/ja016113f","","","0.6448","","","0.0505","0.0479","","","0.1294","0.1325","","","","","","1.096","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115683","7.4573","0.0002","18.0966","0.0005","14.0233","0.0004","90","","99.254","0.001","90","","1867.84","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 F2 N2 O64 Si32 -","- F2 O64 Si32 -","- F2 O64 Si32 -","1","0.25","","Luis A. Villaescusa; Paul S. Wheatley; Ivor Bull; Philip Lightfoot; Russell E. Morris","The Location and Ordering of Fluoride Ions in Pure Silica Zeolites with Framework Types IFR and STF; Implications for the Mechanism of Zeolite Synthesis in Fluoride Media","Journal of the American Chemical Society","2001","123","","8797","8805","10.1021/ja016113f","","","0.6892","","","0.1101","0.0943","","0.2713","0.2633","","","","1.102","1.19","1.19","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115684","15.406","0.007","7.264","0.005","26.48","0.01","90","","95.23","0.05","90","","2951","3","157.2","","157.2","","","","","","","","synthetic","4","P 1 21/a 1","-P 2yab","14","","","","- C33 H33 N3 O9 -","- C33 H33 N3 O9 -","- C132 H132 N12 O36 -","4","1","","Dana L. Caulder; Christian Brückner; Ryan E. Powers; Stefan König; Tatjana N. Parac; Julie A. Leary; Kenneth N. Raymond","Design, Formation and Properties of Tetrahedral M4L4 and M4L6 Supramolecular Clusters1","Journal of the American Chemical Society","2001","123","","8923","8938","10.1021/ja0104507","","","0.7107","MoKα","","0.1964","0.0593","","0.098","","0.0605","","","","","","1.415","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115685","22.6143","0.0005","22.6143","0.0004","106.038","0.002","90","","90","","120","","46963.3","1.6","170.2","","170.2","","","","","","","","synthetic","5","R -3 c :H","-R 3 2""c","167","","","","- C156 H188 N20 O36 Ti4 -","- C173 H57 N18 O36 Ti4 -","- C2076 H684 N216 O432 Ti48 -","12","0.333333","","Dana L. Caulder; Christian Brückner; Ryan E. Powers; Stefan König; Tatjana N. Parac; Julie A. Leary; Kenneth N. Raymond","Design, Formation and Properties of Tetrahedral M4L4 and M4L6 Supramolecular Clusters1","Journal of the American Chemical Society","2001","123","","8923","8938","10.1021/ja0104507","","","0.7107","MoKalpha","","0.191","0.1087","","","0.1204","","","","","4.21","4.21","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115686","43.707","0.008","43.707","0.008","43.707","0.008","90","","90","","90","","83494","3","143","2","143","2","","","","","","","synthetic","6","I -4 3 d","I -4bd 2c 3","220","","","","- C203 H312 Fe4 K5 N19 O47 -","- C187.42 H144 Fe4 K4.98 N18.97 O46.995 -","- C2998.72 H2304 Fe64 K79.68 N303.52 O751.92 -","16","0.333333","","Dana L. Caulder; Christian Brückner; Ryan E. Powers; Stefan König; Tatjana N. Parac; Julie A. Leary; Kenneth N. Raymond","Design, Formation and Properties of Tetrahedral M4L4 and M4L6 Supramolecular Clusters1","Journal of the American Chemical Society","2001","123","","8923","8938","10.1021/ja0104507","","","0.7107","MoKalpha","","0.1504","0.0978","","0.3288","0.2552","","","","1.104","1.115","1.115","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115687","9.319","0.001","12.406","0.002","20.453","0.002","90","","95.08","0.01","90","","2355.3","0.5","183","2","183","2","","","","","","","selfmade","5","P 1 21/n 1","-P 2yn","14","bis(disyl)chlorophosphine","","","- C14 H38 Cl P Si4 -","- C14 H38 Cl P Si4 -","- C56 H152 Cl4 P4 Si16 -","4","1","","Sarah L. Hinchley; Carole A. Morrison; David W. H. Rankin; Charles L. B. Macdonald; Robert J. Wiacek; Andreas Voigt; Alan H. Cowley; Michael F. Lappert; Grete Gundersen; Jason A. C. Clyburne; Philip P. Power","Spontaneous Generation of Stable Pnictinyl Radicals from ""Jack-in-the-Box"" Dipnictines: A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1","Journal of the American Chemical Society","2001","123","","9045","9053","10.1021/ja010615b","","","0.71073","MoKα","","0.0662","0.0395","","0.0931","0.0806","","","","1.018","1.052","1.052","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115688","11.5626","0.0011","12.3944","0.001","17.542","0.002","90","","108.276","0.009","90","","2387.2","0.4","173","2","173","2","","","","","","","selfmade","5","P 1 21/n 1","-P 2yn","14","bis(disyl)chloroarsine","","","- C14 H38 As Cl Si4 -","- C14 H38 As Cl Si4 -","- C56 H152 As4 Cl4 Si16 -","4","1","","Sarah L. Hinchley; Carole A. Morrison; David W. H. Rankin; Charles L. B. Macdonald; Robert J. Wiacek; Andreas Voigt; Alan H. Cowley; Michael F. Lappert; Grete Gundersen; Jason A. C. Clyburne; Philip P. Power","Spontaneous Generation of Stable Pnictinyl Radicals from ""Jack-in-the-Box"" Dipnictines: A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1","Journal of the American Chemical Society","2001","123","","9045","9053","10.1021/ja010615b","","","0.71073","MoKα","","0.0897","0.0582","","0.1567","0.1377","","","","1.043","1.094","1.094","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115689","18.341","0.002","13.424","0.001","19.033","0.002","90","","110.65","0.01","90","","4385","0.8","173","2","173","2","","","","","","","selfmade","4","P 1 21/c 1","-P 2ybc","14","tetra(disyl)diphosphine","","","- C28 H76 P2 Si8 -","- C28 H76 P2 Si8 -","- C112 H304 P8 Si32 -","4","1","","Sarah L. Hinchley; Carole A. Morrison; David W. H. Rankin; Charles L. B. Macdonald; Robert J. Wiacek; Andreas Voigt; Alan H. Cowley; Michael F. Lappert; Grete Gundersen; Jason A. C. Clyburne; Philip P. Power","Spontaneous Generation of Stable Pnictinyl Radicals from ""Jack-in-the-Box"" Dipnictines: A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1","Journal of the American Chemical Society","2001","123","","9045","9053","10.1021/ja010615b","","","0.71073","MoKα","","0.0435","0.036","","0.1025","0.0958","","","","1.089","1.109","1.109","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115690","20.348","0.004","26.342","0.005","37.012","0.007","102.11","0.03","104.54","0.03","102.35","0.03","18016","8","153","2","153","2","","","","","","","selfmade","4","P -1","-P 1","2","tetra(disyl)diarsine","","","- C28 H76 As2 Si8 -","- C28 H76 As2 Si8 -","- C448 H1216 As32 Si128 -","16","8","","Sarah L. Hinchley; Carole A. Morrison; David W. H. Rankin; Charles L. B. Macdonald; Robert J. Wiacek; Andreas Voigt; Alan H. Cowley; Michael F. Lappert; Grete Gundersen; Jason A. C. Clyburne; Philip P. Power","Spontaneous Generation of Stable Pnictinyl Radicals from ""Jack-in-the-Box"" Dipnictines: A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1","Journal of the American Chemical Society","2001","123","","9045","9053","10.1021/ja010615b","","","0.71073","MoKα","","0.0913","0.0531","","0.1344","0.1213","","","","1.511","1.713","1.713","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115691","10.5106","0.001","14.3786","0.0013","16.7764","0.0016","89.965","0.002","89.905","0.002","85.253","0.002","2526.7","0.4","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 B6 Cl2 Re2 -","- C20 H34 B6 Cl2 Re2 -","- C80 H136 B24 Cl8 Re8 -","4","2","","Sundargopal Ghosh; Alicia M. Beatty; Thomas P. Fehlner","Synthesis and Characterization of Bicapped Hexagonal Bipyramidal 2,3-Cl2-1,8-{Cp*Re}2B6H4[{Cp*Re}2{μ-η6:η6-1,2-B6H4Cl2}, Cp* = η5-C5Me5]: The Missing Link Connecting (p - 2) Skeletal Electron Pair Hypoelectronic Rhenaboranes and 24-Valence Electron Triple-Decker Complexes","Journal of the American Chemical Society","2001","123","","9188","9189","10.1021/ja0111840","","","0.71073","MoKα","","0.0421","0.0365","","","0.0794","0.0872","","","","","","1.076","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115692","17.2502","0.0008","17.8934","0.0006","9.8489","0.0002","90","","90","","90","","3040.01","0.18","173.2","","173.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 F P Si2 -","- C36 H32 F P Si2 -","- C144 H128 F4 P4 Si8 -","4","1","","Akio Toshimitsu; Tomoyuki Saeki; Kohei Tamao","Phosphonium Sila-ylide: Reaction Pathway Different from Ammonium Sila-ylide but Similar to Phosphonium Ylide","Journal of the American Chemical Society","2001","123","","9210","9211","10.1021/ja0160602","","","0.7107","MoKα","","0.0362","0.0362","","","0.0488","0.0488","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115693","12.474","0.0007","13.1328","0.0006","11.3443","0.0005","107.217","0.003","115.824","0.003","63.616","0.002","1486.44","0.13","173.2","","173.2","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H27 F2 P Si -","- C37 H27 F2 P Si -","- C74 H54 F4 P2 Si2 -","2","1","","Akio Toshimitsu; Tomoyuki Saeki; Kohei Tamao","Phosphonium Sila-ylide: Reaction Pathway Different from Ammonium Sila-ylide but Similar to Phosphonium Ylide","Journal of the American Chemical Society","2001","123","","9210","9211","10.1021/ja0160602","","","0.7107","MoKα","","0.0429","0.0429","","","0.0653","0.0653","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115694","16.667","0.001","9.2935","0.0006","17.903","0.001","90","","94.538","0.003","90","","2764.4","0.3","173.2","","173.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 P Si -","- C37 H29 P Si -","- C148 H116 P4 Si4 -","4","1","","Akio Toshimitsu; Tomoyuki Saeki; Kohei Tamao","Phosphonium Sila-ylide: Reaction Pathway Different from Ammonium Sila-ylide but Similar to Phosphonium Ylide","Journal of the American Chemical Society","2001","123","","9210","9211","10.1021/ja0160602","","","0.7107","MoKα","","0.0654","0.0654","","","0.0848","0.0848","","","","","","1.213","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115695","13.085","0.001","13.9206","0.0011","22.1213","0.0018","75.075","0.001","73.717","0.001","68.526","0.001","3544.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C71.5 H107.5 Fe2 N6 -","- C71.5 H107.5 Fe2 N6 -","- C143 H215 Fe4 N12 -","2","1","","Jeremy M. Smith; Rene J. Lachicotte; Karl A. Pittard; Thomas R. Cundari; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Patrick L. Holland","Stepwise Reduction of Dinitrogen Bond Order by a Low-Coordinate Iron Complex","Journal of the American Chemical Society","2001","123","","9222","9223","10.1021/ja016094+","","","0.71073","MoKα","","0.1157","0.0811","","","0.1799","0.1953","","","","","","1.142","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115696","12.7419","0.0011","12.8655","0.0011","24.353","0.002","89.487","0.002","89.11","0.002","65.817","0.001","3641.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72.5 H111.5 Fe2 K2 N6 -","- C72.5 H111.5 Fe2 K2 N6 -","- C145 H223 Fe4 K4 N12 -","2","1","","Jeremy M. Smith; Rene J. Lachicotte; Karl A. Pittard; Thomas R. Cundari; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Patrick L. Holland","Stepwise Reduction of Dinitrogen Bond Order by a Low-Coordinate Iron Complex","Journal of the American Chemical Society","2001","123","","9222","9223","10.1021/ja016094+","","","0.71073","MoKα","","0.1602","0.0778","","","0.1325","0.1525","","","","","","0.971","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115697","12.7641","0.0006","12.8595","0.0006","24.2624","0.0012","88.468","0.001","89.189","0.001","63.659","0.001","3567.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72.5 H111.5 Fe2 N6 Na2 -","- C72.5 H111.5 Fe2 N6 Na2 -","- C145 H223 Fe4 N12 Na4 -","2","1","","Jeremy M. Smith; Rene J. Lachicotte; Karl A. Pittard; Thomas R. Cundari; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Patrick L. Holland","Stepwise Reduction of Dinitrogen Bond Order by a Low-Coordinate Iron Complex","Journal of the American Chemical Society","2001","123","","9222","9223","10.1021/ja016094+","","","0.71073","MoKα","","0.0674","0.0463","","","0.1092","0.1184","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115698","13.628","0.0003","11.858","0.0003","15.066","0.0004","90","","114.705","0.0015","90","","2211.84","0.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 B F4 O P Rh -","- C20 H35 B F4 O P Rh -","- C80 H140 B4 F16 O4 P4 Rh4 -","4","1","","Boris Rybtchinski; Stephan Oevers; Michael Montag; Arkadi Vigalok; Haim Rozenberg; Jan M. L. Martin; David Milstein","Comparison of Steric and Electronic Requirements for C-C and C-H Bond Activation. Chelating vs Nonchelating Case","Journal of the American Chemical Society","2001","123","","9064","9077","10.1021/ja016126t","","","0.7107","MoKα","","0.0302","0.0252","","","0.0578","0.0612","","","","","","1.046","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115699","12.075","0.0008","23.072","0.0014","23.819","0.0015","71.055","0.001","86.89","0.001","80.394","0.001","6188.4","0.7","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C134 H128 I2 N9 O10 -","- C134 H128 I2 N9 O10 -","- C268 H256 I4 N18 O20 -","2","1","","Mark J. MacLachlan; Aimee Rose; Timothy M. Swager","A Rotaxane Exciplex","Journal of the American Chemical Society","2001","123","","9180","9181","10.1021/ja016228j","","","0.71073","MoKα","","0.1344","0.1128","","","0.3422","0.3701","","","","","","1.553","","","","has coordinates,has disorder","200027","2020-10-21","18:00:00",""
"4115700","15.874","0.004","23.28","0.005","25.807","0.006","90","","104.793","0.004","90","","9221","4","153.2","","153.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H112 Cl4 N7 O2.75 P -","- C100 H95 Cl4 N7 O2.75 P -","- C400 H380 Cl16 N28 O11 P4 -","4","1","","Bobby Ramdhanie; Charlotte L. Stern; David P. Goldberg","Synthesis of the First Corrolazine: A New Member of the Porphyrinoid Family","Journal of the American Chemical Society","2001","123","","9447","9448","10.1021/ja011229x","","","0.7107","MoKα","","0.3224","0.125","","0.206","","0.176","","","1.443","","","3.2","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115701","5.6577","0.0007","9.9499","0.0012","13.5249","0.0017","89.942","0.002","87.724","0.002","74.343","0.002","732.5","0.16","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H21 N O4 S -","- C14 H21 N O4 S -","- C28 H42 N2 O8 S2 -","2","1","","Ronald A. Aungst; Raymond L. Funk","Synthesis of (Z)-2-Acyl-2-enals via Retrocycloadditions of 5-Acyl-4-alkyl-4H-1,3-dioxins: Application in the Total Synthesis of the Cytotoxin (\±)-Euplotin A","Journal of the American Chemical Society","2001","123","","9455","9456","10.1021/ja011470b","","","0.71073","MoKα","","0.0836","0.0544","","","0.1265","0.1379","","","","","","0.956","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115702","28.222","0.003","18.904","0.002","14.555","0.002","90","","92.713","0.01","90","","7756.5","1.6","173","1","173","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Compound 2","","","- C44 H54 Si2 -","- C44 H54 Si2 -","- C352 H432 Si16 -","8","1","","John E. Anthony; James S. Brooks; David L. Eaton; Sean R. Parkin","Functionalized Pentacene: Improved Electronic Properties from Control of Solid-State Order","Journal of the American Chemical Society","2001","123","","9482","9483","10.1021/ja0162459","","","0.71073","MoKα","","0.108","0.0568","","","0.1168","0.134","","","","","","1.034","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115703","7.565","0.0015","7.75","0.0015","16.835","0.003","89.15","0.03","78.42","0.03","83.63","0.03","960.9","0.3","173","1","173","1","","","","","","","","3","P -1","-P 1","2","Compound 1","","","- C44 H54 Si2 -","- C44 H54 Si2 -","- C44 H54 Si2 -","1","0.5","","John E. Anthony; James S. Brooks; David L. Eaton; Sean R. Parkin","Functionalized Pentacene: Improved Electronic Properties from Control of Solid-State Order","Journal of the American Chemical Society","2001","123","","9482","9483","10.1021/ja0162459","","","0.71073","MoKα","","0.0713","0.0486","","","0.1039","0.112","","","","","","1.038","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115704","8.9297","0.0002","9.9577","0.0002","11.4947","0.0003","66.744","0.001","78.52","0.002","79.24","0.002","913.61","0.04","140.2","","140.2","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 I N2 O2 -","- C21 H21 I N2 O2 -","- C42 H42 I2 N4 O4 -","2","1","","Michael J. Eichberg; Rosa L. Dorta; Douglas B. Grotjahn; Kai Lamottke; Martin Schmidt; K. Peter C. Vollhardt","Approaches to the Synthesis of (\±)-Strychnine via the Cobalt-Mediated [2 + 2 + 2] Cycloaddition: Rapid Assembly of a Classic Framework","Journal of the American Chemical Society","2001","123","","9324","9337","10.1021/ja016333t","","","0.7107","MoKα","","0.0604","0.0472","","0.0535","0.0514","0.0514","","","","","","2.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115705","11.581","0.005","11.688","0.005","13.572","0.005","106.249","0.005","107.005","0.005","94.076","0.005","1663","1.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H29 Au3 N8 -","- C36 H29 Au3 N8 -","- C72 H58 Au6 N16 -","2","1","","Manal A. Rawashdeh-Omary; Mohammad A. Omary; John P. Fackler; Rossana Galassi; Bianca R. Pietroni; Alfredo Burini","Chemistry and Optoelectronic Properties of Stacked Supramolecular Entities of Trinuclear Gold(I) Complexes Sandwiching Small Organic Acids","Journal of the American Chemical Society","2001","123","","9689","9691","10.1021/ja016279g","","","0.71073","MoKα","","0.0579","0.0495","","","0.1185","0.1248","","","","","","1.174","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115706","7.3364","0.0012","35.272","0.006","14.356","0.002","90","","99.804","0.003","90","","3660.6","1","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Au3 F6 N3 O3 -","- C36 H36 Au3 F6 N3 O3 -","- C144 H144 Au12 F24 N12 O12 -","4","1","","Manal A. Rawashdeh-Omary; Mohammad A. Omary; John P. Fackler; Rossana Galassi; Bianca R. Pietroni; Alfredo Burini","Chemistry and Optoelectronic Properties of Stacked Supramolecular Entities of Trinuclear Gold(I) Complexes Sandwiching Small Organic Acids","Journal of the American Chemical Society","2001","123","","9689","9691","10.1021/ja016279g","","","0.71073","MoKα","","0.0404","0.0352","","","0.1167","0.1202","","","","","","1.085","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115707","8.72","0.0002","16.612","0.0003","13.944","0.0001","90","","102.536","0.001","90","","1971.73","0.06","169.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 Cl P2 W -","- C16 H30 Cl P2 W -","- C64 H120 Cl4 P8 W4 -","4","1","","Benjamin V. Mork; T. Don Tilley","High Oxidation-State (Formally d0) Tungsten Silylene Complexes via Double Si-H Bond Activation","Journal of the American Chemical Society","2001","123","","9702","9703","10.1021/ja0165436","","","0.7107","MoKα","","","0.0326","","","","0.0371","","","","","","1.411","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115708","15.2193","0.0002","15.9706","0.0002","17.2664","0.0003","90","","96.322","0.001","90","","4171.27","0.11","153.2","","153.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 B F20 P2 W -","- C41 H29 B F20 P2 W -","- C164 H116 B4 F80 P8 W4 -","4","1","","Benjamin V. Mork; T. Don Tilley","High Oxidation-State (Formally d0) Tungsten Silylene Complexes via Double Si-H Bond Activation","Journal of the American Chemical Society","2001","123","","9702","9703","10.1021/ja0165436","","","0.7107","MoKα","","0.0668","0.0415","","0.05","0.0449","","","","","","","1.393","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115709","27.488","0.0001","15.5223","0.0002","21.3367","0.0003","90","","90","","90","","9103.88","0.18","273.2","","155","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C42 H39 B F20 P2 Si W -","- C43 H37 B F20 P2 Si W -","- C344 H296 B8 F160 P16 Si8 W8 -","8","2","","Benjamin V. Mork; T. Don Tilley","High Oxidation-State (Formally d0) Tungsten Silylene Complexes via Double Si-H Bond Activation","Journal of the American Chemical Society","2001","123","","9702","9703","10.1021/ja0165436","","","0.7107","MoKα","","0.0363","0.03","","0.0377","0.0366","","","","","","","1.468","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115710","12.0515","0.0006","22.1214","0.0013","20.1491","0.0009","90","","94.062","0.003","90","","5358.2","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H73 Cl2 N9 O3 -","- C57 H73 Cl2 N9 O3 -","- C228 H292 Cl8 N36 O12 -","4","1","","Christophe Bucher; Rebecca S. Zimmerman; Vincent Lynch; Jonathan L. Sessler","First Cryptand-Like Calixpyrrole: Synthesis, X-ray Structure, and Anion Binding Properties of a Bicyclic[3,3,3]nonapyrrole","Journal of the American Chemical Society","2001","123","","9716","9717","10.1021/ja016629z","","","0.71073","MoKα","","0.2458","0.1187","","","0.1778","0.2061","","","","","","1.209","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115711","17.0995","0.0015","10.184","0.0009","11.995","0.0011","90","","98.686","0.002","90","","2064.9","0.3","110","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C13 H24 Fe2 O4 P2 S2 -","- C12.93 H18 Fe2 O4 P2 S2 -","- C51.72 H72 Fe8 O16 P8 S8 -","4","1","","Xuan Zhao; Irene P. Georgakaki; Matthew L. Miller; Jason C. Yarbrough; Marcetta Y. Darensbourg","H/D Exchange Reactions in Dinuclear Iron Thiolates as Activity Assay Models of Fe-H2ase","Journal of the American Chemical Society","2001","123","","9710","9711","10.1021/ja0167046","","","0.71073","MoKα","","0.0636","0.0584","","","0.1538","0.1609","","","","","","1.103","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115712","13.306","0.0008","18.0371","0.0011","20.5305","0.0013","90","","104.159","0.001","90","","4777.7","0.5","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H25 F6 Fe2 O4 P3 S2 -","- C13 H25 F6 Fe2 O4 P3 S2 -","- C104 H200 F48 Fe16 O32 P24 S16 -","8","2","","Xuan Zhao; Irene P. Georgakaki; Matthew L. Miller; Jason C. Yarbrough; Marcetta Y. Darensbourg","H/D Exchange Reactions in Dinuclear Iron Thiolates as Activity Assay Models of Fe-H2ase","Journal of the American Chemical Society","2001","123","","9710","9711","10.1021/ja0167046","","","0.71073","MoKα","","0.1111","0.0748","","","0.1609","0.1936","","","","","","1.074","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115713","18.129","0.002","15.411","0.002","15.585","0.002","103.97","0.01","112.89","0.01","98.79","0.01","3741.5","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-phe methyl ester/Beta-Cyclodextrin","","","- C108 H217 N2 O100 -","- C107.388 H96 N1.949 O98.867 -","- C107.388 H96 N1.949 O98.867 -","1","1","","Joanna L. Clark; John J. Stezowski","Molecular Recognition in Cyclodextrin Complexes of Amino Acid Derivatives. 1. Crystallographic Studies of β-Cyclodextrin Complexes with N-Acetyl-l-phenylalanine Methyl Ester and N-Acetyl-l-phenylalanine Amide Pseudopeptides","Journal of the American Chemical Society","2001","123","","9880","9888","10.1021/ja003717v","","","0.71073","MoKα","","0.0916","0.0791","","","0.2145","0.237","","","","","","1.041","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115714","18.12","0.06","15.4","0.06","15.53","0.06","103.32","0.06","112.86","0.06","99.22","0.06","3732","2","293","2","293","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-F-amide/Beta-cyclodextrin","","","- C108 H216 N2 O176 -","- C106.001 H91 N4 O97.37 -","- C106.001 H91 N4 O97.37 -","1","1","","Joanna L. Clark; John J. Stezowski","Molecular Recognition in Cyclodextrin Complexes of Amino Acid Derivatives. 1. Crystallographic Studies of β-Cyclodextrin Complexes with N-Acetyl-l-phenylalanine Methyl Ester and N-Acetyl-l-phenylalanine Amide Pseudopeptides","Journal of the American Chemical Society","2001","123","","9880","9888","10.1021/ja003717v","","","0.71073","MoKα","","0.0859","0.0837","","","0.2125","0.2162","","","","","","1.057","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115715","18.31","0.06","15.51","0.06","15.31","0.06","102.78","0.06","112.66","0.06","99.47","0.06","3759","2","293","2","293","2","","","","","","","","4","P 1","P 1","1","N-acetyl-p-methoxy-L-phe methyl ester/Beta-CD","","","- C110 H218 N2 O100 -","- C110 H98 N2 O100.55 -","- C110 H98 N2 O100.55 -","1","1","","Joanna L. Clark; Billy R. Booth; John J. Stezowski","Molecular Recognition in Cyclodextrin Complexes of Amino Acid Derivatives. 2.1 A New Perturbation: The Room-Temperature Crystallographic Structure Determination for the N-Acetyl-p-methoxy-l-phenylalanine Methyl Ester/β-Cyclodextrin Complex","Journal of the American Chemical Society","2001","123","","9889","9895","10.1021/ja0100221","","","0.71073","MoKα","","0.1053","0.0827","","","0.2119","0.2253","","","","","","1.018","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115716","14.253","0.008","15.252","0.002","15.873","0.004","90","","90.86","0.03","90","","3450","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 F7 Fe P3 -","- C36 H39 F7 Fe P3 -","- C144 H156 F28 Fe4 P12 -","4","1","","Mats Tilset; Irene Fjeldahl; Jean-René Hamon; Paul Hamon; Loïc Toupet; Jean-Yves Saillard; Karine Costuas; Anthony Haynes","Theoretical, Thermodynamic, Spectroscopic, and Structural Studies of the Consequences of One-Electron Oxidation on the Fe-X Bonds in 17- and 18-Electron Cp*Fe(dppe)X Complexes (X = F, Cl, Br, I, H, CH3)","Journal of the American Chemical Society","2001","123","","9984","10000","10.1021/ja0106927","","","0.71069","MoKα","","0.1329","0.0476","","","0.1284","0.154","","","","","","1.03","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115717","12.763","0.003","13.877","0.007","19.551","0.007","90","","90","","90","","3463","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H39 Cl F6 Fe P3 -","- C36 H39 Cl F6 Fe P3 -","- C144 H156 Cl4 F24 Fe4 P12 -","4","1","","Mats Tilset; Irene Fjeldahl; Jean-René Hamon; Paul Hamon; Loïc Toupet; Jean-Yves Saillard; Karine Costuas; Anthony Haynes","Theoretical, Thermodynamic, Spectroscopic, and Structural Studies of the Consequences of One-Electron Oxidation on the Fe-X Bonds in 17- and 18-Electron Cp*Fe(dppe)X Complexes (X = F, Cl, Br, I, H, CH3)","Journal of the American Chemical Society","2001","123","","9984","10000","10.1021/ja0106927","","","0.71069","MoKα","","0.1024","0.053","","","0.1453","0.177","","","","","","1.006","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115718","31.49","0.004","9.834","0.004","22.322","0.005","90","","92.42","0.02","90","","6906","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H42 B F4 Fe P2 -","- C74 H84 B2 F7 Fe2 P4 -","- C296 H336 B8 F28 Fe8 P16 -","4","1","","Mats Tilset; Irene Fjeldahl; Jean-René Hamon; Paul Hamon; Loïc Toupet; Jean-Yves Saillard; Karine Costuas; Anthony Haynes","Theoretical, Thermodynamic, Spectroscopic, and Structural Studies of the Consequences of One-Electron Oxidation on the Fe-X Bonds in 17- and 18-Electron Cp*Fe(dppe)X Complexes (X = F, Cl, Br, I, H, CH3)","Journal of the American Chemical Society","2001","123","","9984","10000","10.1021/ja0106927","","","0.71069","MoKα","","0.1651","0.0757","","","0.2241","0.2836","","","","","","1.066","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115719","29.666","0.004","9.742","0.0012","11.614","0.002","90","","99.25","0.02","90","","3312.9","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H49 N3 Ni O S2 -","- C31 H49 N3 Ni O S2 -","- C124 H196 N12 Ni4 O4 S8 -","4","0.5","","Diran Herebian; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Experimental Evidence for the Noninnocence of o-Aminothiophenolates: Coordination Chemistry of o-Iminothionebenzosemiquinonate(1-) π-Radicals with Ni(II), Pd(II), Pt(II)","Journal of the American Chemical Society","2001","123","","10012","10023","10.1021/ja011155p","","","0.71073","MoKα","","0.0962","0.0562","","0.1408","0.1243","","","","0.999","1.085","1.085","","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115720","32.301","0.002","14.9776","0.0012","17.4278","0.0012","90","","105.9","0.02","90","","8108.8","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H63 N3 O2 Pd S2 -","- C36 H63 N3 O2 Pd S2 -","- C288 H504 N24 O16 Pd8 S16 -","8","1","","Diran Herebian; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Experimental Evidence for the Noninnocence of o-Aminothiophenolates: Coordination Chemistry of o-Iminothionebenzosemiquinonate(1-) π-Radicals with Ni(II), Pd(II), Pt(II)","Journal of the American Chemical Society","2001","123","","10012","10023","10.1021/ja011155p","","","0.71073","MoKα","","0.052","0.0347","","0.0901","0.0844","","","","1.04","1.11","1.11","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115721","23.793","0.002","9.8009","0.0008","28.039","0.003","90","","90","","90","","6538.5","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H44 Cl2 N2 Pt S2 -","- C29 H44 Cl2 N2 Pt S2 -","- C232 H352 Cl16 N16 Pt8 S16 -","8","1","","Diran Herebian; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Experimental Evidence for the Noninnocence of o-Aminothiophenolates: Coordination Chemistry of o-Iminothionebenzosemiquinonate(1-) π-Radicals with Ni(II), Pd(II), Pt(II)","Journal of the American Chemical Society","2001","123","","10012","10023","10.1021/ja011155p","","","0.71073","MoKα","","0.0753","0.0422","","0.0942","0.0819","","","","1.155","1.266","1.266","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115722","22.331","0.003","7.9655","0.001","13.2329","0.0016","90","","107.877","0.002","90","","2240.2","0.5","301","2","301","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H17 Ca Na O21 P2 -","- C12 H17 Ca Na O21 P2 -","- C48 H68 Ca4 Na4 O84 P8 -","4","0.5","","Konstantinos D. Demadis; John D. Sallis; Raphael G. Raptis; Peter Baran","A Crystallographically Characterized Nine-Coordinate Calcium-Phosphocitrate Complex as Calcification Inhibitor in Vivo","Journal of the American Chemical Society","2001","123","","10129","10130","10.1021/ja016384q","","","0.71073","MoKα","","0.0303","0.0277","","","0.0753","0.077","","","","","","1.072","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4115723","10.77","0.001","13.788","0.001","21.289","0.004","99.693","0.005","94.388","0.005","112.405","0.005","2846.4","0.6","198.2","","198.2","","","","","","","","","7","P -1","-P 1","2","","","","- C52.67 H41.67 Cl2 F6 P3 Pd S6 -","- C52.667 H41.667 Cl2.001 F6 P3 Pd S6 -","- C105.334 H83.334 Cl4.002 F12 P6 Pd2 S12 -","2","1","","Olivier Clot; Michael O. Wolf; Brian O. Patrick","Electropolymerization of Pd(II) Complexes Containing Phosphinoterthiophene Ligands","Journal of the American Chemical Society","2001","123","","9963","9973","10.1021/ja016465m","","","0.7107","MoKα","","0.1362","0.06","","0.1633","","0.072","","","1.22","","","1.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115724","14.16","0.002","14.665","0.003","20.321","0.003","96.372","0.003","109.63","0.003","102.714","0.003","3797.7","1.1","155","2","155","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H120 Al2 O20 P2 Si3 -","- C53 H120 Al2 O20 P2 Si3 -","- C106 H240 Al4 O40 P4 Si6 -","2","1","","Kyle L. Fujdala; T. Don Tilley","An Efficient, Single-Source Molecular Precursor to Silicoaluminophosphates","Journal of the American Chemical Society","2001","123","","10133","10134","10.1021/ja0167295","","","0.71073","MoKα","","0.2189","0.0582","","0.1192","0.089","","","","0.74","1.054","1.054","","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115725","11.1734","0.0012","11.1734","0.0012","19.129","0.003","90","","90","","90","","2388.2","0.5","153.2","","153.2","","","","","","","","","4","P 42/m","-P 4c","84","","","","- C26 H36 P Y -","- C23 H2.5 P0.5 Y0.5 -","- C92 H10 P2 Y2 -","4","0.5","","Michael R. Douglass; Charlotte L. Stern; Tobin J. Marks","Intramolecular Hydrophosphination/Cyclization of Phosphinoalkenes and Phosphinoalkynes Catalyzed by Organolanthanides: Scope, Selectivity, and Mechanism","Journal of the American Chemical Society","2001","123","","10221","10238","10.1021/ja010811i","","","0.7107","MoKα","","0.204","0.067","","0.165","","0.138","","","","","","3.2","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115726","10.9188","0.0001","12.8835","0.0001","17.4328","0.0001","95.652","0.001","105.264","0.001","111.094","0.001","2155.81","0.04","203","2","203","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H33 B Cl4 F4 N O3 P2 W -","- C42 H33 B Cl4 F4 N O3 P2 W -","- C84 H66 B2 Cl8 F8 N2 O6 P4 W2 -","2","1","","Eric W. Ainscough; Andrew M. Brodie; Anthony K. Burrell; Steven M. F. Kennedy","An Unusual Reduction of an Imine Bond: The Isolation of a Stable π-Iminium Intermediate","Journal of the American Chemical Society","2001","123","","10391","10392","10.1021/ja0109996","","","0.71073","MoKα","","0.0328","0.0279","","","0.0661","0.0693","","","","","","1.056","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115727","11.0236","0.0002","12.0855","0.0002","16.662","0.0003","68.995","0.001","85.736","0.001","71.926","0.001","1968.35","0.06","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H30 Cl2 N O2 P2 W -","- C39 H30 Cl2 N O2 P2 W -","- C78 H60 Cl4 N2 O4 P4 W2 -","2","1","","Eric W. Ainscough; Andrew M. Brodie; Anthony K. Burrell; Steven M. F. Kennedy","An Unusual Reduction of an Imine Bond: The Isolation of a Stable π-Iminium Intermediate","Journal of the American Chemical Society","2001","123","","10391","10392","10.1021/ja0109996","","","0.71073","MoKα","","0.0218","0.0206","","","0.0531","0.0538","","","","","","1.019","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115728","6.2271","0.0016","12.17","0.003","17.882","0.004","99.872","0.005","99.659","0.005","95.631","0.005","1304.9","0.5","158","2","158","2","","","","","","","","4","P -1","-P 1","2","Adamantyl bisnitroxide","","","- C31 H40 N2 O2 -","- C31 H40 N2 O2 -","- C62 H80 N4 O4 -","2","1","","David A. Shultz; Rosario M. Fico; Paul D. Boyle; Jeff W. Kampf","Observation of a Hysteretic Phase Transition in a Crystalline Dinitroxide Biradical That Leads to Magnetic Bistability","Journal of the American Chemical Society","2001","123","","10403","10404","10.1021/ja011341v","","","0.71073","MoKα","","0.0832","0.0433","","","0.0982","0.1099","","","","","","0.896","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115729","6.1933","0.0004","11.495","0.001","17.478","0.002","104.577","0.008","99.635","0.008","94.942","0.008","1176.5","0.2","148","","148","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H36 N2 O2 -","- C28 H36 N2 O2 -","- C56 H72 N4 O4 -","2","1","","David A. Shultz; Rosario M. Fico; Paul D. Boyle; Jeff W. Kampf","Observation of a Hysteretic Phase Transition in a Crystalline Dinitroxide Biradical That Leads to Magnetic Bistability","Journal of the American Chemical Society","2001","123","","10403","10404","10.1021/ja011341v","","","0.71073","MolybdenumKα","","0.052","0.051","","0.054","0.053","","","","","1.45","1.45","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115730","28.519","0.008","14.996","0.003","10.628","0.003","90","","96.35","0.03","90","","4517","2","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H31 N2 O3.5 -","- C25 H31 N2 O3.5 -","- C200 H248 N16 O28 -","8","1","","Shunichi Fukuzumi; Yoshinori Fujii; Tomoyoshi Suenobu","Metal Ion-Catalyzed Cycloaddition vs Hydride Transfer Reactions of NADH Analogues with p-Benzoquinones","Journal of the American Chemical Society","2001","123","","10191","10199","10.1021/ja016370k","","","0.7107","MoKα","","","0.0654","","","","0.0704","","","","","","2.86","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115731","7.771","0.0004","23.8998","0.0013","32.6762","0.0017","90","","90","","90","","6068.8","0.6","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H44 Gd O12 P4 -","- C38.4 H32 Gd0.8 O21.152 P3.2 -","- C192 H160 Gd4 O105.76 P16 -","5","1.25","","Owen R. Evans; Helen L. Ngo; Wenbin Lin","Chiral Porous Solids Based on Lamellar Lanthanide Phosphonates","Journal of the American Chemical Society","2001","123","","10395","10396","10.1021/ja0163772","","","0.71073","MoKα","","0.1887","0.0974","","","0.1884","0.2239","","","","","","1.094","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115732","9.134","0.003","14.592","0.005","15.832","0.006","90","","90","","90","","2110.1","1.3","298","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-cyanopropyl-4,5,7,8,9,10,11,12-octamethyl-1,2- dicarba-closo-dodecaborane(12)","","- C14 H33 B10 N -","- C14 H33 B10 N -","- C56 H132 B40 N4 -","4","1","","A. Maderna; A. Herzog; Carolyn B. Knobler; M. Frederick Hawthorne","The Syntheses of Amphiphilic Camouflaged Carboranes as Modules for Supramolecular Construction","Journal of the American Chemical Society","2001","123","","10423","10424","10.1021/ja016768g","","","1.5418","CuKα","","0.0802","0.0694","","","0.1919","0.2061","","","","","","1.03","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115733","9.116","0.004","14.555","0.007","15.82","0.007","90","","90","","90","","2099.1","1.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","carboranyl chloride","4,5,7,8,9,10,11,12-octamethyl-1-(3-chloropropyl), 2-dicarba-closo-dodeca-borane(12)","","- C13 H33 B10 Cl -","- C13 H33 B10 Cl -","- C52 H132 B40 Cl4 -","4","1","","A. Maderna; A. Herzog; Carolyn B. Knobler; M. Frederick Hawthorne","The Syntheses of Amphiphilic Camouflaged Carboranes as Modules for Supramolecular Construction","Journal of the American Chemical Society","2001","123","","10423","10424","10.1021/ja016768g","","","0.71073","MoKα","","0.1759","0.0746","","","0.1767","0.2113","","","","","","0.917","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115734","13.868","0.003","14.966","0.002","15.018","0.002","90","","92.527","0.011","90","","3113.9","0.9","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound 2","","","- C35 H42 N4 O3 Pd -","- C35 H42 N4 O3 Pd -","- C140 H168 N16 O12 Pd4 -","4","1","","Pamela A. Lord; Bruce C. Noll; Marilyn M. Olmstead; Alan L. Balch","A Remarkable Skeletal Rearrangement of a Coordinated Tetrapyrrole: Chemical Consequences of Palladium π-Coordination to a Bilindione","Journal of the American Chemical Society","2001","123","","10554","10559","10.1021/ja010647z","","","0.71073","MoKα","","0.0817","0.0478","","","0.0871","0.1006","","","","","","1.03","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115735","7.407","0.004","12.392","0.003","9.432","0.006","90","","102.58","0.02","90","","845","0.7","200","2","200","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C18 H27 N O2 -","- C18 H27 N O2 -","- C36 H54 N2 O4 -","2","1","","José Barluenga; Angel L. Suárez-Sobrino; Miguel Tomás; Santiago García-Granda; Rafael Santiago-García","Diastereo- and Enantioselective Cyclopropanation with Chromium Fischer Carbene Complexes: Alkenyl Oxazolines as Useful Achiral and Chiral Substrates","Journal of the American Chemical Society","2001","123","","10494","10501","10.1021/ja010719m","","","0.71073","MoKα","","0.1009","0.038","","","0.082","0.1015","","","","","","1.033","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115736","13.7997","0.0004","23.8392","0.0002","21.7517","0.0007","90","0.0015","100.117","0.002","90","0.002","7044.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H124 Cl2 N4 Si4 W2 -","- C52 H112 Cl2 N4 Si4 W2 -","- C208 H448 Cl8 N16 Si16 W8 -","4","1","","Stephen M. Holmes; Daniel F. Schafer; Peter T. Wolczanski; Emil B. Lobkovsky","Synthesis of (tBu3SiNH)2ClW\τbWCl(NHSitBu3)2 and Its Degradation via NH Bond Activation","Journal of the American Chemical Society","2001","123","","10571","10583","10.1021/ja010957h","","","0.71073","MoKα","","0.1726","0.097","","0.303","0.2486","","","","1.01","1.111","1.111","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115737","13.4342","0.0002","16.2068","0.0001","20.8307","0.0003","90","","90.477","0.001","90","","4535.22","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H83 N3 Si3 W -","- C36 H82 N3 Si3 W -","- C144 H328 N12 Si12 W4 -","4","1","","Stephen M. Holmes; Daniel F. Schafer; Peter T. Wolczanski; Emil B. Lobkovsky","Synthesis of (tBu3SiNH)2ClW\τbWCl(NHSitBu3)2 and Its Degradation via NH Bond Activation","Journal of the American Chemical Society","2001","123","","10571","10583","10.1021/ja010957h","","","0.71073","MoKα","","0.0493","0.0319","","0.0943","0.0789","","","","1.088","1.039","1.039","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115738","13.7991","0.0011","24.343","0.002","16.7419","0.0014","90","","92.598","0.002","90","","5618","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H93 Cl N5 Si3 W2 -","- C46 H93 Cl N5 Si3 W2 -","- C184 H372 Cl4 N20 Si12 W8 -","4","1","","Stephen M. Holmes; Daniel F. Schafer; Peter T. Wolczanski; Emil B. Lobkovsky","Synthesis of (tBu3SiNH)2ClW\τbWCl(NHSitBu3)2 and Its Degradation via NH Bond Activation","Journal of the American Chemical Society","2001","123","","10571","10583","10.1021/ja010957h","","","0.71073","MoKα","","0.1253","0.0451","","0.1079","0.0729","","","","0.993","1.059","1.059","","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115739","11.999","0.002","12.801","0.003","23.17","0.005","90","","93.97","0.03","90","","3550.4","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H29.5 Cl N1.5 Si W0.5 -","- C14.5 H29.5 Cl N1.5 Si W0.5 -","- C116 H236 Cl8 N12 Si8 W4 -","8","1","","Stephen M. Holmes; Daniel F. Schafer; Peter T. Wolczanski; Emil B. Lobkovsky","Synthesis of (tBu3SiNH)2ClW\τbWCl(NHSitBu3)2 and Its Degradation via NH Bond Activation","Journal of the American Chemical Society","2001","123","","10571","10583","10.1021/ja010957h","","","0.71073","MoKα","","0.0793","0.0418","","0.1203","0.0956","","","","0.984","1.02","1.02","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115740","12.081","0.002","12.08","0.002","29.08","0.006","90","","101.2","0.03","90","","4163.1","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H65 Cl N2 Si2 W -","- C38 H Cl N2 Si2 W -","- C152 H4 Cl4 N8 Si8 W4 -","4","1","","Stephen M. Holmes; Daniel F. Schafer; Peter T. Wolczanski; Emil B. Lobkovsky","Synthesis of (tBu3SiNH)2ClW\τbWCl(NHSitBu3)2 and Its Degradation via NH Bond Activation","Journal of the American Chemical Society","2001","123","","10571","10583","10.1021/ja010957h","","","0.943","","","0.066","0.0626","","0.189","0.1846","","","","1.151","1.176","1.176","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115741","14.393","0.002","17.903","0.003","17.057","0.002","90","","110.903","0.003","90","","4105.9","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H65 Cl N2 Si2 W -","- C38 H65 Cl N2 Si2 W -","- C152 H260 Cl4 N8 Si8 W4 -","4","1","","Stephen M. Holmes; Daniel F. Schafer; Peter T. Wolczanski; Emil B. Lobkovsky","Synthesis of (tBu3SiNH)2ClW\τbWCl(NHSitBu3)2 and Its Degradation via NH Bond Activation","Journal of the American Chemical Society","2001","123","","10571","10583","10.1021/ja010957h","","","0.71073","MoKα","","0.0656","0.0432","","","0.0856","0.0927","","","","","","0.988","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115742","8.303","0.0003","8.303","0.0003","20.334","0.001","90","","90","","120","","1214.01","0.09","150","2","150","2","","","","","","","'hydrothermal synthesis at 200 deg C for 30 hours'","6","P -3 c 1","-P 3 2""c","165","csdab","","","- C3 H14 Co4 N O11 S -","- C4 H16 Co5.33333 N1.33333 O14.6667 S1.33333 -","- C12 H48 Co16 N4 O44 S4 -","3","0.25","","Apinpus Rujiwatra; Cameron J. Kepert; John B. Claridge; Matthew J. Rosseinsky; Hitoshi Kumagai; Mohamedally Kurmoo","Layered Cobalt Hydroxysulfates with Both Rigid and Flexible Organic Pillars: Synthesis, Structure, Porosity, and Cooperative Magnetism","Journal of the American Chemical Society","2001","123","","10584","10594","10.1021/ja0109848","","","0.689","synchrotron","","0.0817","0.0576","","","0.1388","0.1458","","","","","","1.074","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115743","8.298","0.001","8.298","0.001","10.519","0.002","90","","90","","120","","627.27","0.16","150","2","150","2","","","","","","","'hydrothermal synthesis at 180 deg C for 3 days'","6","P -3","-P 3","147","csen","mu-ethylenediaminododecahydroxodisulfatooctacobalt(II)-6-water","","- C H16 Co4 N O13 S -","- C0.99 H9.96 Co4 N0.99 O12.97 S -","- C1.98 H19.92 Co8 N1.98 O25.94 S2 -","2","0.333333","","Apinpus Rujiwatra; Cameron J. Kepert; John B. Claridge; Matthew J. Rosseinsky; Hitoshi Kumagai; Mohamedally Kurmoo","Layered Cobalt Hydroxysulfates with Both Rigid and Flexible Organic Pillars: Synthesis, Structure, Porosity, and Cooperative Magnetism","Journal of the American Chemical Society","2001","123","","10584","10594","10.1021/ja0109848","","","0.71073","MoKα","","0.0881","0.0859","","","0.2179","0.2193","","","","","","1.321","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115744","15.5258","0.0005","15.8918","0.0007","16.4589","0.0002","87.287","0.002","67.873","0.002","61.084","0.003","3247.1","0.2","150.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C82.51 H55.11 Cl1.68 N8 -","- C82.48 H55.11 Cl1.68 N8 -","- C164.96 H110.22 Cl3.36 N16 -","2","1","","Nagao Kobayashi; Takamitsu Fukuda; Keiji Ueno; Hiroshi Ogino","Extremely Non-Planar Phthalocyanines with Saddle or Helical Conformation: Synthesis and Structural Characterizations","Journal of the American Chemical Society","2001","123","","10740","10741","10.1021/ja0113753","","","0.7107","MoKα","","","0.0941","","","","0.2189","","","","","","2.443","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115745","31.46","0.009","20.602","0.004","28.041","0.003","90","","115.608","0.001","90","","16389","6","150.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C105 H92 Co N8 O6 -","- C102.6 H64 Co N8 O5.1 -","- C820.8 H512 Co8 N64 O40.8 -","8","1","","Nagao Kobayashi; Takamitsu Fukuda; Keiji Ueno; Hiroshi Ogino","Extremely Non-Planar Phthalocyanines with Saddle or Helical Conformation: Synthesis and Structural Characterizations","Journal of the American Chemical Society","2001","123","","10740","10741","10.1021/ja0113753","","","0.7107","MoKα","","","0.086","","","","0.0971","","","","","","2.129","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115746","12.3804","0.0007","12.3804","0.0007","46.505","0.002","90","","90","","90","","7128","0.6","123.2","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C30 H26 Cl2 N12 O9 Zn -","- C30 H26 Cl2 N12 O9 Zn -","- C240 H208 Cl16 N96 O72 Zn8 -","8","1","","Masaaki Sasa; Kentaro Tanaka; Xian-He Bu; Motoo Shiro; Mitsuhiko Shionoya","Spontaneously Resolved Chiral Interpenetrating 3-D Nets with Two Different Zinc Coordination Polymers","Journal of the American Chemical Society","2001","123","","10750","10751","10.1021/ja0116324","","","0.7107","MoKα","","","0.069","","","","0.1683","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115747","23.3007","0.0005","25.0356","0.0001","11.6313","0.0002","90","","90","","90","","6785.08","0.19","223","2","223","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- C28 H32 O12 -","- C28 H16 O12 -","- C224 H128 O96 -","8","0.5","","Byung Hee Hong; Jin Yong Lee; Chi-Wan Lee; Jong Chan Kim; Sung Chul Bae; Kwang S. Kim","Self-Assembled Arrays of Organic Nanotubes with Infinitely Long One-Dimensional H-Bond Chains","Journal of the American Chemical Society","2001","123","","10748","10749","10.1021/ja016526g","","","0.71073","MoKα","","0.1104","0.0866","","","0.2891","0.3146","","","","","","1.206","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115748","9.334","0.0002","16.319","0.0008","18.148","0.0008","90","","90","","90","","2764.33","0.19","150.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 F4 K N2 O6 Si -","- C24 H33 F4 K N2 O6 Si -","- C96 H132 F16 K4 N8 O24 Si4 -","4","1","","Naokazu Kano; Fuminori Komatsu; Takayuki Kawashima","Reversible Photocontrol of the Coordination Number of Silicon in a Tetrafluorosilicate Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2001","123","","10778","10779","10.1021/ja0165739","","","0.7107","MoKα","","","0.045","","","","0.145","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115749","16.6407","0.0007","13.1648","0.0006","26.062","0.001","90","","92.144","0.002","90","","5705.4","0.4","123.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 Cl3 N O Sb -","- C29 H33 Cl3 N O Sb -","- C232 H264 Cl24 N8 O8 Sb8 -","8","2","","Yoshihiro Matano; Hazumi Nomura; Hitomi Suzuki; Motoo Shiro; Haruyuki Nakano","Synthesis, Structure, and Reactions of (Acylimino)triaryl-λ5-bismuthanes: First Comparative Study of the (Acylimino)pnictorane Series","Journal of the American Chemical Society","2001","123","","10954","10965","10.1021/ja003623l","","","0.7107","MoKα","","","0.0488","","","","0.1372","","","","","","0.947","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115750","9.469","0.003","19.063","0.004","10.976","0.004","90","","94.9","0.03","90","","1974","1","298.7","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Cl3 N O P -","- C20 H15 Cl3 N O P -","- C80 H60 Cl12 N4 O4 P4 -","4","1","","Yoshihiro Matano; Hazumi Nomura; Hitomi Suzuki; Motoo Shiro; Haruyuki Nakano","Synthesis, Structure, and Reactions of (Acylimino)triaryl-λ5-bismuthanes: First Comparative Study of the (Acylimino)pnictorane Series","Journal of the American Chemical Society","2001","123","","10954","10965","10.1021/ja003623l","","","0.7107","MoKα","","","0.0428","","","","0.1321","","","","","","1.11","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115751","8.776","0.002","17.577","0.004","15.875","0.004","90","","96.1","0.02","90","","2434.9","1","143.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Bi Cl3 N O4 -","- C23 H21 Bi Cl3 N O4 -","- C92 H84 Bi4 Cl12 N4 O16 -","4","1","","Yoshihiro Matano; Hazumi Nomura; Hitomi Suzuki; Motoo Shiro; Haruyuki Nakano","Synthesis, Structure, and Reactions of (Acylimino)triaryl-λ5-bismuthanes: First Comparative Study of the (Acylimino)pnictorane Series","Journal of the American Chemical Society","2001","123","","10954","10965","10.1021/ja003623l","","","0.7107","MoKα","","","0.0251","","","","0.0342","","","","","","1.11","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115752","9.4395","0.0004","19.098","0.001","10.8085","0.0006","90","","95.312","0.002","90","","1940.14","0.17","123.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 As Cl3 N O -","- C20 H15 As Cl3 N O -","- C80 H60 As4 Cl12 N4 O4 -","4","1","","Yoshihiro Matano; Hazumi Nomura; Hitomi Suzuki; Motoo Shiro; Haruyuki Nakano","Synthesis, Structure, and Reactions of (Acylimino)triaryl-λ5-bismuthanes: First Comparative Study of the (Acylimino)pnictorane Series","Journal of the American Chemical Society","2001","123","","10954","10965","10.1021/ja003623l","","","0.7107","MoKα","","","0.0255","","","","0.0541","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115753","12.442","0.0008","5.7616","0.0004","15.8823","0.0011","90","","111.81","0.001","90","","1057.04","0.12","373","","373","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0706","0.0506","","","0.1534","0.1677","","","","","","1.078","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115754","12.4056","0.0007","5.7411","0.0003","15.7977","0.0008","90","","111.851","0.001","90","","1044.3","0.1","340","","340","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0642","0.049","","","0.1469","0.1592","","","","","","1.072","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115755","12.3803","0.0006","5.7259","0.0003","15.7236","0.0008","90","","111.895","0.001","90","","1034.22","0.09","300","","300","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0585","0.047","","","0.1394","0.1488","","","","","","1.098","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115756","12.2995","0.0006","5.6766","0.0003","15.5154","0.0007","90","","111.982","0.001","90","","1004.52","0.09","150","","150","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0431","0.0397","","","0.1082","0.111","","","","","","1.088","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115757","6.8119","0.0007","7.1517","0.0008","7.6887","0.0008","67.502","0.002","74.118","0.002","79.837","0.002","331.76","0.06","300","","300","","","","","","","","","3","P -1","-P 1","2","","(E)-3,3',4,4'-tetramethylazobenzene","","- C16 H18 N2 -","- C16 H18 N2 -","- C16 H18 N2 -","1","0.5","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0601","0.0489","","","0.1408","0.1511","","","","","","1.044","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115758","6.81","0.01","7.207","0.011","7.793","0.012","67.39","0.03","73.82","0.03","79.93","0.03","338.1","0.9","373","","373","","","","","","","","","3","P -1","-P 1","2","","(E)-3,3',4,4'-tetramethylazobenzene","","- C16 H18 N2 -","- C16 H18 N2 -","- C16 H18 N2 -","1","0.5","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0759","0.056","","","0.1654","0.1837","","","","","","1.068","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115759","6.8127","0.0007","7.1529","0.0007","7.6903","0.0008","67.508","0.002","74.153","0.002","79.857","0.002","332","0.06","300","","300","","","","","","","","","3","P -1","-P 1","2","","(E)-3,3',4,4'-tetramethylazobenzene","","- C16 H18 N2 -","- C16 H18 N2 -","- C16 H18 N2 -","1","0.5","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0591","0.0484","","","0.1398","0.1494","","","","","","1.056","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115760","13.7798","0.0004","10.6379","0.0003","27.2058","0.0009","90","","104.034","0.001","90","","3869","0.2","200","2","200","2","","","","","","","chemical synthesis","3","P 1 21/c 1","-P 2ybc","14","","5,6,8-Tri(t-butyl)-2,3-bis(4-bromophenyl)-1,4-diphenylnaphthalene","","- C46 H46 Br2 -","- C46 H46 Br2 -","- C184 H184 Br8 -","4","1","","Jiajia Zhang; Douglas M. Ho; Robert A. Pascal","Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone","Journal of the American Chemical Society","2001","123","","10919","10926","10.1021/ja011453m","","","0.71073","MoKα","","0.0788","0.049","","0.1132","0.1005","","","","1.019","1.075","1.075","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115761","8.9237","0.001","8.9237","0.001","13.4474","0.0013","90","","90","","120","","927.38","0.17","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6 H8 F4 I2 O2 -","- C6 H8.04 F3.96 I2 O2 -","- C18 H24.12 F11.88 I6 O6 -","3","0.166667","","Qianli Chu; Zhemin Wang; Qichen Huang; Chunhua Yan; Shizheng Zhu","Fluorine-Containing Donor-Acceptor Complex: Infinite Chain Formed by Oxygen...Iodine Interaction","Journal of the American Chemical Society","2001","123","","11069","11070","10.1021/ja015786v","","","0.71073","MoKα","","0.0819","0.0438","","","0.1006","0.1183","","","","","","1.047","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115762","20.312","0.004","8.679","0.008","12.045","0.004","90","","90","","90","","2123","2","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C10 H18 F8 I2 N3 O P -","- C10 H18 F8 I2 N3 O P -","- C40 H72 F32 I8 N12 O4 P4 -","4","1","","Qianli Chu; Zhemin Wang; Qichen Huang; Chunhua Yan; Shizheng Zhu","Fluorine-Containing Donor-Acceptor Complex: Infinite Chain Formed by Oxygen...Iodine Interaction","Journal of the American Chemical Society","2001","123","","11069","11070","10.1021/ja015786v","","","0.71069","MoKα","","0.0852","0.0556","","","0.1481","0.1721","","","","","","1.042","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115763","15.7317","0.0008","15.5288","0.0008","15.6907","0.0008","90","","90","","90","","3833.2","0.3","193","2","193","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","Cp*2ZrH2","","","- C20 H32 Zr -","- C20 H32 Zr -","- C160 H256 Zr8 -","8","2","","Bradley M. Kraft; Rene J. Lachicotte; William D. Jones","Aliphatic and Aromatic Carbon-Fluorine Bond Activation with Cp*2ZrH2: Mechanisms of Hydrodefluorination","Journal of the American Chemical Society","2001","123","","10973","10979","10.1021/ja016087l","","","0.71073","MoKα","","0.0604","0.0391","","","0.0707","0.0767","","","","","","0.892","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115764","15.4715","0.0007","15.6123","0.0007","15.7459","0.0007","90","","90","","90","","3803.4","0.3","193","2","193","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Cp*2ZrHF","","","- C20 H30 F Zr -","- C20 H30 F Zr -","- C160 H240 F8 Zr8 -","8","2","","Bradley M. Kraft; Rene J. Lachicotte; William D. Jones","Aliphatic and Aromatic Carbon-Fluorine Bond Activation with Cp*2ZrH2: Mechanisms of Hydrodefluorination","Journal of the American Chemical Society","2001","123","","10973","10979","10.1021/ja016087l","","","0.71073","MoKα","","0.0593","0.0491","","0.1231","0.1174","","","","1.004","1.032","1.032","","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115765","22.826","0.0019","20.6214","0.0017","16.1659","0.0014","90","","92.167","0.002","90","","7603.9","1.1","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cp*2ZrF2","","","- C20 H30 F2 Zr -","- C20 H30 F2 Zr -","- C320 H480 F32 Zr16 -","16","2","","Bradley M. Kraft; Rene J. Lachicotte; William D. Jones","Aliphatic and Aromatic Carbon-Fluorine Bond Activation with Cp*2ZrH2: Mechanisms of Hydrodefluorination","Journal of the American Chemical Society","2001","123","","10973","10979","10.1021/ja016087l","","","0.71073","MoKα","","0.123","0.0906","","","0.2242","0.2347","","","","","","1.446","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115766","16.6842","0.0007","9.4119","0.0004","14.7948","0.0006","90","","90","","90","","2323.23","0.17","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","Cp*2Zr(o-C6H4F)H","","","- C26 H35 F Zr -","- C26 H35 F Zr -","- C104 H140 F4 Zr4 -","4","1","","Bradley M. Kraft; Rene J. Lachicotte; William D. Jones","Aliphatic and Aromatic Carbon-Fluorine Bond Activation with Cp*2ZrH2: Mechanisms of Hydrodefluorination","Journal of the American Chemical Society","2001","123","","10973","10979","10.1021/ja016087l","","","0.71073","MoKα","","0.071","0.068","","","0.1978","0.2013","","","","","","0.932","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115767","16.5518","0.0007","17.2823","0.0007","18.9291","0.0008","82.373","0.001","67.39","0.001","67.911","0.001","4631.2","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","Cp*2Zr(C6H5)F","","","- C26 H35 F Zr -","- C26 H35 F Zr -","- C208 H280 F8 Zr8 -","8","4","","Bradley M. Kraft; Rene J. Lachicotte; William D. Jones","Aliphatic and Aromatic Carbon-Fluorine Bond Activation with Cp*2ZrH2: Mechanisms of Hydrodefluorination","Journal of the American Chemical Society","2001","123","","10973","10979","10.1021/ja016087l","","","0.71073","MoKα","","0.0497","0.0371","","","0.1046","0.1156","","","","","","0.765","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115768","11.3984","0.0001","21.21","0.0004","12.5746","0.0002","90","","100.347","0.001","90","","2990.6","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H79 Cl Co N6 O15.5 -","- C57 H70 Cl Co N6 O15.5 -","- C114 H140 Cl2 Co2 N12 O31 -","2","1","","Magalie Claeys-Bruno; Dawn Toronto; Jacques Pécaut; Michel Bardet; Jean-Claude Marchon","Three-Point versus Two-Point Attachment of (R)- and (S)-Amino Acid Methyl Esters to a Cobalt(III) Chiroporphyrin: Implications for the Analysis of Amino Acid Enantiomers by 1H NMR Spectroscopy","Journal of the American Chemical Society","2001","123","","11067","11068","10.1021/ja016494x","","","0.71073","MoKα","","0.1217","0.0975","","","0.2566","0.2826","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115769","24.378","0.012","12.601","0.004","12.28","0.007","90","","113.7","0.05","90","","3454","3","193","2","193","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C64 H84 Cl7 Co N6 O12 -","- C64 H84 Cl7 Co N6 O12 -","- C128 H168 Cl14 Co2 N12 O24 -","2","0.5","","Magalie Claeys-Bruno; Dawn Toronto; Jacques Pécaut; Michel Bardet; Jean-Claude Marchon","Three-Point versus Two-Point Attachment of (R)- and (S)-Amino Acid Methyl Esters to a Cobalt(III) Chiroporphyrin: Implications for the Analysis of Amino Acid Enantiomers by 1H NMR Spectroscopy","Journal of the American Chemical Society","2001","123","","11067","11068","10.1021/ja016494x","","","0.71073","MoKα","","0.0887","0.0506","","","0.1094","0.1266","","","","","","0.899","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115770","13.24","0.003","13.96","0.003","19.037","0.004","71.581","0.004","77.543","0.004","75.193","0.004","3192.4","1.2","193","2","193","2","","","","","","","","6","P 1","P 1","1","","","","- C59 H75.5 Cl4 Co N6 O14.25 -","- C59 H75 Cl4 Co N6 O14.25 -","- C118 H150 Cl8 Co2 N12 O28.5 -","2","2","","Magalie Claeys-Bruno; Dawn Toronto; Jacques Pécaut; Michel Bardet; Jean-Claude Marchon","Three-Point versus Two-Point Attachment of (R)- and (S)-Amino Acid Methyl Esters to a Cobalt(III) Chiroporphyrin: Implications for the Analysis of Amino Acid Enantiomers by 1H NMR Spectroscopy","Journal of the American Chemical Society","2001","123","","11067","11068","10.1021/ja016494x","","","0.71073","MoKα","","0.2642","0.0642","","","0.1257","0.215","","","","","","0.79","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115771","11.7375","0.0006","22.5981","0.0013","31.3184","0.0015","90","","90","","90","","8307.1","0.8","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H82 Cl13 Co N6 O14 -","- C72 H82 Cl13 Co N6 O14 -","- C288 H328 Cl52 Co4 N24 O56 -","4","1","","Magalie Claeys-Bruno; Dawn Toronto; Jacques Pécaut; Michel Bardet; Jean-Claude Marchon","Three-Point versus Two-Point Attachment of (R)- and (S)-Amino Acid Methyl Esters to a Cobalt(III) Chiroporphyrin: Implications for the Analysis of Amino Acid Enantiomers by 1H NMR Spectroscopy","Journal of the American Chemical Society","2001","123","","11067","11068","10.1021/ja016494x","","","0.71073","MoKα","","0.18","0.0644","","","0.142","0.1774","","","","","","0.841","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115772","17.0919","0.0007","19.9345","0.0008","23.5472","0.0008","90","","90","","90","","8023","0.5","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H82 Cl13 Co N6 O16 -","- C66 H82 Cl13 Co N6 O16 -","- C264 H328 Cl52 Co4 N24 O64 -","4","1","","Magalie Claeys-Bruno; Dawn Toronto; Jacques Pécaut; Michel Bardet; Jean-Claude Marchon","Three-Point versus Two-Point Attachment of (R)- and (S)-Amino Acid Methyl Esters to a Cobalt(III) Chiroporphyrin: Implications for the Analysis of Amino Acid Enantiomers by 1H NMR Spectroscopy","Journal of the American Chemical Society","2001","123","","11067","11068","10.1021/ja016494x","","","0.71073","MoKα","","0.1192","0.0597","","","0.1473","0.1659","","","","","","0.928","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115773","12.1118","0.0002","33.1982","0.0005","11.0644","0.0001","90","","90","","90","","4448.88","0.11","295.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H55 Cl2 N7 Ni2 O11 -","- C38 H55 Cl2 N7 Ni2 O11 -","- C152 H220 Cl8 N28 Ni8 O44 -","4","1","","Shinobu Itoh; Hideki Bandoh; Motonobu Nakagawa; Shigenori Nagatomo; Teizo Kitagawa; Kenneth D. Karlin; Shunichi Fukuzumi","Formation, Characterization, and Reactivity of Bis(μ-oxo)dinickel(III) Complexes Supported by A Series of Bis[2-(2-pyridyl)ethyl]amine Ligands","Journal of the American Chemical Society","2001","123","","11168","11178","10.1021/ja0104094","","","0.7107","MoKα","","","0.0451","","","","0.063","","","","","","0.756","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115774","10.2036","0.0008","16.656","0.001","13.363","0.001","90","","105.302","0.003","90","","2190.5","0.3","85.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Cl2 N6 Ni2 O10 -","- C88 H104 Cl2 N12 Ni4 O12 -","- C176 H208 Cl4 N24 Ni8 O24 -","2","0.5","","Shinobu Itoh; Hideki Bandoh; Motonobu Nakagawa; Shigenori Nagatomo; Teizo Kitagawa; Kenneth D. Karlin; Shunichi Fukuzumi","Formation, Characterization, and Reactivity of Bis(μ-oxo)dinickel(III) Complexes Supported by A Series of Bis[2-(2-pyridyl)ethyl]amine Ligands","Journal of the American Chemical Society","2001","123","","11168","11178","10.1021/ja0104094","","","0.7107","MoKα","","","0.0411","","","","0.058","","","","","","0.712","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115775","16.049","0.002","11.0619","0.0007","15.772","0.002","90","","117.132","0.004","90","","2491.9","0.5","296","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Pt2(EtCS2)4I2","","","- C12 H20 I2 Pt2 S8 -","- C12 H20 I2 Pt2 S8 -","- C48 H80 I8 Pt8 S32 -","4","1","","Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani","Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I","Journal of the American Chemical Society","2001","123","","11179","11192","10.1021/ja010900v","","","0.71069","MoKα","","","0.0332","","","0.0378","","","","","1.278","1.278","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115776","17.369","0.002","8.5903","0.0006","18.44","0.003","90","","125.317","0.005","90","","2245","0.5","115","","115","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pt2(EtCS2)4I","","","- C12 H20 I Pt2 S8 -","- C12 H20 I Pt2 S8 -","- C48 H80 I4 Pt8 S32 -","4","0.5","","Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani","Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I","Journal of the American Chemical Society","2001","123","","11179","11192","10.1021/ja010900v","","","0.71069","MoKα","","","0.0258","","","0.0398","","","","","1.708","1.708","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115777","17.41","0.01","8.602","0.002","18.47","0.01","90","","125.31","0.03","90","","2257","2","149","","149","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pt2(EtCS2)4I2","","","- C12 H20 I Pt2 S8 -","- C12 H20 I Pt2 S8 -","- C48 H80 I4 Pt8 S32 -","4","0.5","","Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani","Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I","Journal of the American Chemical Society","2001","123","","11179","11192","10.1021/ja010900v","","","0.71069","MoKα","","","0.0313","","","0.0467","","","","","1.77","1.77","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115778","17.4","0.01","8.61","0.002","18.49","0.01","90","","125.22","0.02","90","","2263","1.9","184","","184","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pt2(EtCS2)4I","","","- C12 H20 I Pt2 S8 -","- C12 H20 I Pt2 S8 -","- C48 H80 I4 Pt8 S32 -","4","0.5","","Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani","Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I","Journal of the American Chemical Society","2001","123","","11179","11192","10.1021/ja010900v","","","0.71069","MoKα","","","0.0308","","","0.0478","","","","","1.801","1.801","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115779","17.417","0.004","8.639","0.001","18.525","0.004","90","","125.14","0.01","90","","2279.4","0.8","252","","252","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pt2(EtCS2)4I","","","- C12 H20 I Pt2 S8 -","- C12 H20 I Pt2 S8 -","- C48 H80 I4 Pt8 S32 -","4","0.5","","Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani","Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I","Journal of the American Chemical Society","2001","123","","11179","11192","10.1021/ja010900v","","","0.71069","MoKα","","","0.0358","","","0.0534","","","","","1.961","1.961","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115780","17.438","0.005","8.644","0.001","18.569","0.006","90","","125.05","0.01","90","","2291.4","1.1","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pt2(EtCS2)4I","","","- C12 H20 I Pt2 S8 -","- C12 H20 I Pt2 S8 -","- C48 H80 I4 Pt8 S32 -","4","0.5","","Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani","Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I","Journal of the American Chemical Society","2001","123","","11179","11192","10.1021/ja010900v","","","0.71069","MoKα","","","0.0256","","","0.0343","","","","","1.386","1.386","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115781","17.476","0.003","8.6663","0.0007","18.667","0.003","90","","125.004","0.007","90","","2315.8","0.6","377","","377","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pt2(EtCS2)4I","","","- C12 H20 I Pt2 S8 -","- C12 H20 I Pt2 S8 -","- C48 H80 I4 Pt8 S32 -","4","0.5","","Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani","Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I","Journal of the American Chemical Society","2001","123","","11179","11192","10.1021/ja010900v","","","0.71069","MoKα","","","0.0274","","","0.035","","","","","1.316","1.316","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115782","7.1459","0.001","4.5094","0.0007","17.904","0.003","90","","92.89","0.005","90","","576.2","0.15","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O5 -","- C12 H16 O5 -","- C24 H32 O10 -","2","1","","Chaomin Li; Emily A. Pace; Mei-Chih Liang; Emil Lobkovsky; Thomas D. Gilmore; John A. Porco","Total Synthesis of the NF-κB Inhibitor (-)-Cycloepoxydon: Utilization of Tartrate-Mediated Nucleophilic Epoxidation","Journal of the American Chemical Society","2001","123","","11308","11309","10.1021/ja0169769","","","0.71073","MoKα","","0.0695","0.0519","","","0.1186","0.1268","","","","","","1.046","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115783","8.8454","0.0008","18.724","0.0016","13.662","0.0011","90","","90.216","0.004","90","","2262.7","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O5 -","- C12 H16 O5 -","- C96 H128 O40 -","8","2","","Chaomin Li; Emily A. Pace; Mei-Chih Liang; Emil Lobkovsky; Thomas D. Gilmore; John A. Porco","Total Synthesis of the NF-κB Inhibitor (-)-Cycloepoxydon: Utilization of Tartrate-Mediated Nucleophilic Epoxidation","Journal of the American Chemical Society","2001","123","","11308","11309","10.1021/ja0169769","","","0.71073","MoKα","","0.0739","0.0472","","","0.1006","0.1114","","","","","","1.044","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115784","20.33","0.0009","23.1692","0.0011","32.0081","0.0015","90","","90","","90","","15076.8","1.2","158","2","158","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C78 H117.5 N8.5 O38 Zn4 -","- C78 H36 N8.5 O38 Zn4 -","- C312 H144 N34 O152 Zn16 -","4","1","","Hee K. Chae; Mohamed Eddaoudi; Jaheon Kim; Sheila I. Hauck; John F. Hartwig; Michael O'Keeffe; Omar M. Yaghi","Tertiary Building Units: Synthesis, Structure, and Porosity of a Metal-Organic Dendrimer Framework (MODF-1)","Journal of the American Chemical Society","2001","123","","11482","11483","10.1021/ja011692+","","","0.71073","MoKα","","0.1419","0.0885","","","0.2331","0.2723","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115785","20.8599","0.0009","12.1728","0.0005","22.338","0.001","90","","102.134","0.002","90","","5545.4","0.4","173.2","","173.2","","","","","","","","","7","P 1 2 1","P 2y","3","","","","- C63 H69 B F K N2 O7 -","- C63 H66 B F K N2 O7 -","- C252 H264 B4 F4 K4 N8 O28 -","4","2","","Shigehiro Yamaguchi; Seiji Akiyama; Kohei Tamao","Colorimetric Fluoride Ion Sensing by Boron-Containing π-Electron Systems","Journal of the American Chemical Society","2001","123","","11372","11375","10.1021/ja015957w","","","0.7107","MoKα","","0.0641","0.0641","","","0.0843","0.0843","","","","","","1.235","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115786","11.2725","0.0002","13.8904","0.0004","10.0939","0.0007","98.505","0.004","106.936","0.004","91.615","0.001","1491.08","0.12","230.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H24 Cl2 Fe N5 O2 Se -","- C34 H24 Cl2 Fe N5 O2 Se -","- C68 H48 Cl4 Fe2 N10 O4 Se2 -","2","1","","Shinya Hayami; Zhong-ze Gu; Hajime Yoshiki; Akira Fujishima; Osamu Sato","Iron(III) Spin-Crossover Compounds with a Wide Apparent Thermal Hysteresis around Room Temperature","Journal of the American Chemical Society","2001","123","","11644","11650","10.1021/ja0017920","","","0.7107","MoKα","","","0.0443","","","","0.1159","","","","","","1.665","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115787","8.227","0.004","25.656","0.011","9.808","0.004","90","","95.71","0.03","90","","2059.9","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 As4 Cl12 Se6 -","- C18 H36 As4 Cl12 Se6 -","- C36 H72 As8 Cl24 Se12 -","2","0.5","","Andrew J. Barton; Nicholas J. Hill; William Levason; Gillian Reid","Synthesis and Structural Properties of the First Macrocyclic Selenoether Complex of Arsenic(III): A Rare Example of Exo and Endo Coordination in a Single Species","Journal of the American Chemical Society","2001","123","","11801","11802","10.1021/ja0110527","","","0.71073","MoKα","","0.0789","0.0347","","","0.0831","0.0969","","","","","","1.029","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115788","7.1843","0.0003","7.521","0.0003","14.4763","0.0005","90","","94.401","0.003","90","","779.89","0.05","293","2","293","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C20 H28 Cr2 Cu3 N16 O2 -","- C20 H28 Cr2 Cu3 N16 O2 -","- C20 H28 Cr2 Cu3 N16 O2 -","1","0.25","","Hui-Zhong Kou; Song Gao; Jing Zhang; Ge-Hui Wen; Gang Su; R. K. Zheng; X. X. Zhang","Unexpected Assembly of a Unique Cyano-Bridged Three-Dimensional Cu3Cr2 Ferromagnet","Journal of the American Chemical Society","2001","123","","11809","11810","10.1021/ja016656p","","","0.71073","MoKα","","0.0631","0.0465","","","0.1046","0.1133","","","","","","1.06","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115789","9.094","0.005","12.277","0.003","14.541","0.004","77.02","0.02","80.82","0.04","79.86","0.03","1545","1","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Poly{tris[tetrakis(μ-trifluoroacetato-κO,κO')dirhodium(II,II)- (μ4-η2(1,2):η2(3,4):η2(7,8):η2(9,10)-chrysene)}","","- C42 H12 F36 O24 Rh6 -","- C42 H12 F36 O24 Rh6 -","- C42 H12 F36 O24 Rh6 -","1","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0945","0.0721","","0.1851","0.1596","","","","1.081","1.082","1.082","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115790","11.287","0.007","17.509","0.004","12.606","0.003","90","","93.64","0.03","90","","2486.2","1.7","213","2","213","2","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(1,2):η2(4,5)-acenaphthylene)}","","- C20 H8 F12 O8 Rh2 -","- C20 H8 F12 O8 Rh2 -","- C80 H32 F48 O32 Rh8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0864","0.0671","","0.1937","0.158","","","","1.085","1.05","1.05","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115791","22.562","0.003","8.577","0.001","16.889","0.002","90","","131.34","0.02","90","","2453.8","0.9","213","2","213","2","","","","","","","synthesized","5","C 1 2/c 1","-C 2yc","15","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(4,5):η2(6,7)-acenaphthene)}","","- C20 H10 F12 O8 Rh2 -","- C20 H10 F12 O8 Rh2 -","- C80 H40 F48 O32 Rh8 -","4","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0419","0.0386","","0.0923","0.0893","","","","1.129","1.138","1.138","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115792","8.48","0.002","8.6371","0.0007","10.252","0.001","114.681","0.007","99.736","0.007","98.147","0.007","653.29","0.18","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,kO') dirhodium(II,II)](μ-η2(1,2):η2(5,6)-anthracene)}","","- C22 H10 F12 O8 Rh2 -","- C22 H10 F12 O8 Rh2 -","- C22 H10 F12 O8 Rh2 -","1","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0513","0.0458","","0.1287","0.1253","","","","1.1","1.101","1.101","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115793","8.642","0.001","9.21","0.0007","17.387","0.003","75.608","0.004","85.458","0.008","81.362","0.005","1324","0.3","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(3,4):η2(9,10)-phenanthrene)}","","- C22 H10 F12 O8 Rh2 -","- C22 H10 F12 O8 Rh2 -","- C44 H20 F24 O16 Rh4 -","2","1","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0547","0.0511","","0.153","0.1455","","","","1.076","1.076","1.076","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115794","9.317","0.002","14.902","0.001","9.507","0.001","90","","91.78","0.01","90","","1319.3","0.3","213","2","213","2","","","","","","","synthesized","5","C 1 2/m 1","-C 2y","12","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(4,5):η2(9,10)-pyrene)}","","- C24 H10 F12 O8 Rh2 -","- C24 H10 F12 O8 Rh2 -","- C48 H20 F24 O16 Rh4 -","2","0.25","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0298","0.0284","","0.0737","0.0719","","","","1.161","1.156","1.156","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115795","8.674","0.003","9.464","0.002","12.11","0.003","77.91","0.02","79.65","0.01","87.44","0.02","956.2","0.5","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Tetrakis(μ-trifluoroacetato-κO,κO')dirhodium(II,II)- bis(η2(2,3)-fluoranthene)","","- C40 H20 F12 O8 Rh2 -","- C40 H20 F12 O8 Rh2 -","- C40 H20 F12 O8 Rh2 -","1","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0584","0.0548","","0.159","0.1532","","","","1.057","1.055","1.055","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115796","9.2257","0.0002","9.224","0.001","31.827","0.002","90","","93.97","0.05","90","","2701.9","0.4","213","2","213","2","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(2,3):η2(6,12)-fluoranthene)}, low-temperature isomer","","- C24 H10 F12 O8 Rh2 -","- C24 H10 F12 O8 Rh2 -","- C96 H40 F48 O32 Rh8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.048","0.044","","0.108","0.1031","","","","1.085","1.088","1.088","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115797","10.1","0.003","17.535","0.003","15.969","0.001","90","","103.45","0.01","90","","2750.6","1","213","2","213","2","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(2,3):η1(7)-fluoranthene)}, high-temperature isomer","","- C24 H10 F12 O8 Rh2 -","- C24 H10 F12 O8 Rh2 -","- C96 H40 F48 O32 Rh8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0748","0.0588","","0.1491","0.1302","","","","1.086","1.08","1.08","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115798","9.224","0.003","10.546","0.003","16.437","0.003","89.78","0.03","74.9","0.02","75.03","0.02","1487.9","0.7","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(5,6):η2(10,11)-1,2-benzanthracene)}","","- C26 H12 F12 O8 Rh2 -","- C26 H12 F12 O8 Rh2 -","- C52 H24 F24 O16 Rh4 -","2","1","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0809","0.0634","","0.1654","0.1455","","","","1.09","1.087","1.087","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115799","8.653","0.001","9.2512","0.0008","12.88","0.002","80.292","0.005","74.776","0.006","88.113","0.006","980.6","0.2","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Tetrakis(μ-trifluoroacetato-κO,κO')dirhodium(II,II)- bis(η2(1,2)-triphenylene)","","- C44 H24 F12 O8 Rh2 -","- C44 H24 F12 O8 Rh2 -","- C44 H24 F12 O8 Rh2 -","1","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.05","0.0434","","0.1055","0.0984","","","","1.093","1.076","1.076","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115800","9.42","0.001","10.215","0.001","19.648","0.005","94.99","0.02","95.29","0.01","95.05","0.01","1866.6","0.6","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Catena-poly{tris[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)]-bis(μ3-η2(1,2):η2(7,8):η2(9,10)- triphenylene)}","","- C60 H24 F36 O24 Rh6 -","- C60 H24 F36 O24 Rh6 -","- C60 H24 F36 O24 Rh6 -","1","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.1253","0.0866","","0.1965","0.1666","","","","1.112","1.131","1.131","","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115801","8.578","0.002","9.2958","0.0007","9.404","0.002","98.62","0.04","106.128","0.008","97.91","0.02","699.4","0.3","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(5,6):η2(11,12)-chrysene)}","","- C26 H12 F12 O8 Rh2 -","- C26 H12 F11.952 O8 Rh2 -","- C26 H12 F11.952 O8 Rh2 -","1","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0527","0.047","","0.1306","0.1235","","","","1.063","1.07","1.07","","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115802","34.16","0.02","12.551","0.009","17.77","0.03","90","","100.68","0.08","90","","7487","15","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(1-oxyl-3-oxido-4,4,5,5-tetramethyl-2-imidazolin-2-yl)-benzoic acid 2,4-bis(1-oxyl-3-oxido-4,4,5,5-tetramethyl-2-imidazolin-2-yl)-phenyl ester","","- C40 H57 N6 O8 -","- C40 H43 N6 O8 -","- C320 H344 N48 O64 -","8","1","","Daisuke Shiomi; Takayasu Kanaya; Kazunobu Sato; Masaki Mito; Kazuyoshi Takeda; Takeji Takui","Single-Component Molecule-Based Ferrimagnetics","Journal of the American Chemical Society","2001","123","","11823","11824","10.1021/ja016827q","","","0.7107","MoKα","","","0.0675","","","","0.1763","","","","","","1.771","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115803","13.38","0.0004","32.335","0.001","14.2883","0.0003","90","","106.74","0.002","90","","5919.8","0.3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bow-tie hexaoxo-octapyrocatecholato-decatitanium","bis((μ4-oxo)-(μ3-(O,O,O',O')-pyrocatecholato)-(1-butanol)- bis(μ2-oxo)-bis(μ-1-butoxo)-tris(μ2-(O,O,O')-pyrocatecholato)- tetrakis(1-butoxy)-pentatitanium)","","- C52 H79 O18 Ti5 -","- C52 H52 O18 Ti5 -","- C208 H208 O72 Ti20 -","4","1","","Karine Gigant; Adel Rammal; Marc Henry","Synthesis and Molecular Structures of Some New Titanium(IV) Aryloxides","Journal of the American Chemical Society","2001","123","","11632","11637","10.1021/ja016930f","","","0.71073","Mo-Kα","","0.137","0.059","","0.45","","0.086","","","7.449","","","1.388","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115804","14.266","0.0004","13.224","0.0007","15.847","0.0007","90","","100.699","0.003","90","","2937.6","0.2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tris(salicylato)titanium(IV)","(salicylato-O,O')-bis((2-carboxylato)-phenolato)-titanium(IV)1-butanol solvate","","- C29 H34 O11 Ti -","- C29 H21 O11 Ti -","- C116 H84 O44 Ti4 -","4","1","","Karine Gigant; Adel Rammal; Marc Henry","Synthesis and Molecular Structures of Some New Titanium(IV) Aryloxides","Journal of the American Chemical Society","2001","123","","11632","11637","10.1021/ja016930f","","","0.71073","Mo-Kα","","0.111","0.062","","0.091","","0.081","","","1.688","","","1.548","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115805","13.956","0.0004","20.738","0.0007","16.133","0.0005","90","","97.639","0.003","90","","4627.8","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Hexabiphenol-tetraoxo-hexatitanium ladder","bis((μ2-2,2'-biphenolato(O,O'))-(μ2-isopropoxy)-isopropoxy-isopropanol- bis(μ3-oxo)-bis(μ2-2,2'-biphenolato(O,O,O'))-trititanium) chloroform solvate","","- C92 H92 Cl6 O22 Ti6 -","- C92 H90 Cl6 O22 Ti6 -","- C184 H180 Cl12 O44 Ti12 -","2","0.5","","Karine Gigant; Adel Rammal; Marc Henry","Synthesis and Molecular Structures of Some New Titanium(IV) Aryloxides","Journal of the American Chemical Society","2001","123","","11632","11637","10.1021/ja016930f","","","0.71073","Mo-Kα","","0.108","0.064","","0.111","","0.078","","","1.89","","","1.323","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115806","35.256","0.011","8.899","0.003","23.52","0.006","90","","112.33","0.02","90","","6826","4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C288 H416 O64 -","16","2","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.2633","0.1561","","","0.4266","0.4611","","","","","","1.212","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115807","10.8944","0.0003","6.9835","0.0002","40.0783","0.001","90","","94.901","0.001","90","","3038.05","0.14","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 O4.5 -","- C17 H27 O4.5 -","- C136 H216 O36 -","8","2","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71073","MoKα","","0.1536","0.0705","","","0.1316","0.1701","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115808","8.25","0.002","13.151","0.004","14.797","0.004","69.69","0.02","73.85","0.02","71.71","0.02","1403.5","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H24 O4 -","- C15 H21.5 O4 -","- C60 H86 O16 -","4","2","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.3328","0.0869","","","0.1624","0.2427","","","","","","0.937","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115809","7.142","0.001","10.685","0.001","17.143","0.001","90","","93.65","0.01","90","","1305.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.1644","0.0497","","","0.1033","0.1324","","","","","","0.952","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115810","7.076","0.003","12.211","0.004","16.676","0.006","90","","90","","90","","1440.9","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.1721","0.0553","","","0.1226","0.1579","","","","","","0.988","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115811","7.7631","0.0002","8.2042","0.0002","11.842","0.0003","79.743","0.001","88.046","0.001","69.419","0.001","694.46","0.03","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71073","MoKα","","0.0874","0.063","","","0.1402","0.156","","","","","","1.08","","","","has coordinates","209481","2020-10-21","18:00:00",""
"4115812","14.175","0.003","14.183","0.003","14.574","0.004","90","","90","","90","","2930","1.2","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C30 H52 O8 -","- C30 H52 O8 -","- C120 H208 O32 -","4","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.0685","0.0481","","","0.1095","0.1211","","","","","","1.067","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115813","7.678","0.002","7.864","0.002","11.841","0.006","100.27","0.03","92.28","0.03","109.95","0.02","657.4","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H20 O4 -","- C13 H22 O4 -","- C26 H44 O8 -","2","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.2365","0.0623","","","0.1138","0.1627","","","","","","0.915","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115814","14.0518","0.0003","14.1426","0.0002","14.9534","0.0002","90","","90","","90","","2971.67","0.09","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H26 O4 -","- C16 H26 O4 -","- C128 H208 O32 -","8","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71073","MoKα","","0.0945","0.0577","","","0.112","0.1278","","","","","","1.094","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115815","7.812","0.001","8.015","0.001","11.023","0.001","73.79","0.007","79.72","0.007","68.35","0.007","613.79","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C26 H40 O10 -","2","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.0521","0.0381","","","0.098","0.1051","","","","","","1.051","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115816","13.3863","0.0002","11.4029","0.0003","8.9169","0.0003","90","","91.755","0.001","90","","1360.46","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O4 S -","- C13 H20 O4 S -","- C52 H80 O16 S4 -","4","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71073","MoKα","","0.1296","0.0922","","","0.2524","0.2685","","","","","","1.095","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115817","7.4739","0.0001","9.1783","0.0001","9.9889","0.0001","97.006","0.001","96.613","0.001","94.8825","0.002","672.149","0.014","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H20 O6 S -","- C13 H20 O6 S -","- C26 H40 O12 S2 -","2","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71073","MoKα","","0.0501","0.0383","","","0.0938","0.1005","","","","","","1.035","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115818","7.173","0.003","7.998","0.002","10.514","0.002","82.88","0.02","88.25","0.02","83.06","0.03","594.1","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H20 O4 -","- C13 H20 O3 -","- C26 H40 O6 -","2","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.131","0.0823","","","0.2275","0.2618","","","","","","1.049","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115819","7.962","0.002","19.376","0.006","8.053","0.004","90","","110.69","0.03","90","","1162.2","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C48 H80 O16 -","4","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.0824","0.0423","","","0.1","0.1137","","","","","","1.015","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115820","10.1402","0.0002","13.0837","0.0003","13.3685","0.0003","60.7325","0.0015","86.7121","0.0013","80.4379","0.0013","1525.13","0.06","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H40 F24 Mn2 N4 O8 -","- C53 H40 F24 Mn2 N4 O8 -","- C53 H40 F24 Mn2 N4 O8 -","1","0.5","","Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang","A Novel, Tunable Manganese Coordination System Based on a Flexible ""Spacer"" Unit: Noncovalent Templation Effects","Journal of the American Chemical Society","2001","123","","11982","11990","10.1021/ja0114310","","","0.71073","MoKα","","0.0889","0.0528","","","0.1118","0.129","","","","","","1.012","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115821","13.3971","0.0018","23.866","0.004","10.1985","0.0016","90","","95.702","0.011","90","","3244.7","0.9","200","1","200","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C59 H44 F24 Mn2 N4 O8 -","- C59 H32 F24 Mn2 N4 O8 -","- C118 H64 F48 Mn4 N8 O16 -","2","0.25","","Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang","A Novel, Tunable Manganese Coordination System Based on a Flexible ""Spacer"" Unit: Noncovalent Templation Effects","Journal of the American Chemical Society","2001","123","","11982","11990","10.1021/ja0114310","","","0.71073","MoKα","","0.1274","0.08","","","0.1953","0.224","","","","","","1.046","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115822","13.6022","0.0006","15.4929","0.0006","17.3102","0.0005","69.198","0.002","72.195","0.002","73.27","0.002","3180.2","0.2","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H44 F24 Mn2 N4 O8 -","- C60 H44 F24 Mn2 N4 O8 -","- C120 H88 F48 Mn4 N8 O16 -","2","1","","Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang","A Novel, Tunable Manganese Coordination System Based on a Flexible ""Spacer"" Unit: Noncovalent Templation Effects","Journal of the American Chemical Society","2001","123","","11982","11990","10.1021/ja0114310","","","0.71073","MoKα","","0.1273","0.0547","","","0.1034","0.1288","","","","","","1.009","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115823","14.2058","0.0003","9.992","0.0003","14.4406","0.0003","90","","102.674","0.001","90","","1999.82","0.08","200","1","200","1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C38 H32 F12 Mn N2 O4 -","- C38 H32 F12 Mn N2 O4 -","- C76 H64 F24 Mn2 N4 O8 -","2","1","","Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang","A Novel, Tunable Manganese Coordination System Based on a Flexible ""Spacer"" Unit: Noncovalent Templation Effects","Journal of the American Chemical Society","2001","123","","11982","11990","10.1021/ja0114310","","","0.71073","MoKα","","0.0763","0.0497","","","0.1078","0.1208","","","","","","1.055","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115824","10.0966","0.0004","13.1001","0.0004","13.3725","0.0004","61.1082","0.0018","86.596","0.002","80.188","0.002","1525.39","0.09","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H40 F24 Mn2 N4 O9 -","- C53 H40 F24 Mn2 N4 O9 -","- C53 H40 F24 Mn2 N4 O9 -","1","0.5","","Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang","A Novel, Tunable Manganese Coordination System Based on a Flexible ""Spacer"" Unit: Noncovalent Templation Effects","Journal of the American Chemical Society","2001","123","","11982","11990","10.1021/ja0114310","","","0.71073","MoKα","","0.0917","0.0743","","","0.1991","0.211","","","","","","1.095","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115825","14.0984","0.0003","14.6254","0.0004","16.4762","0.0003","80.7262","0.0013","78.7341","0.0013","89.5633","0.0013","3287.3","0.13","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H42 F24 Mn2 N6 O12 -","- C58 H42 F24 Mn2 N6 O12 -","- C116 H84 F48 Mn4 N12 O24 -","2","1","","Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang","A Novel, Tunable Manganese Coordination System Based on a Flexible ""Spacer"" Unit: Noncovalent Templation Effects","Journal of the American Chemical Society","2001","123","","11982","11990","10.1021/ja0114310","","","0.71073","MoKα","","0.1003","0.0612","","","0.1493","0.1726","","","","","","1.029","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115826","14.0007","0.0005","14.7834","0.0005","16.4656","0.0004","80.8755","0.0018","78.1471","0.0016","89.4096","0.0015","3292.27","0.18","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H42 F24 Mn2 N6 O8 -","- C60 H42 F24 Mn2 N6 O8 -","- C120 H84 F48 Mn4 N12 O16 -","2","1","","Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang","A Novel, Tunable Manganese Coordination System Based on a Flexible ""Spacer"" Unit: Noncovalent Templation Effects","Journal of the American Chemical Society","2001","123","","11982","11990","10.1021/ja0114310","","","0.71073","MoKα","","0.1003","0.0532","","","0.111","0.1312","","","","","","1.012","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115827","12.305","0.006","31.22","0.019","19.105","0.009","90","0.07","91.25","0.04","90","0.04","7338","7","153","5","153","5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H60 N10 Se10 Te2 Yb4 -","- C62 H60 N10 Se10 Te2 Yb4 -","- C248 H240 N40 Se40 Te8 Yb16 -","4","1","","Anna Y. Kornienko; Thomas J. Emge; John G. Brennan","Chalcogen-Rich Lanthanide Clusters: Cluster Reactivity and the Influence of Ancillary Ligands on Structure","Journal of the American Chemical Society","2001","123","","11933","11939","10.1021/ja011487u","","","0.7107","MoKα","","0.169","0.068","","","0.1614","0.1838","","","","","","1","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115828","10.928","0.009","12.96","0.009","14.658","0.003","91.27","0.05","89.89","0.05","110.14","0.06","1949","2","153","5","153","5","","","","","","","","6","P -1","-P 1","2","","","","- C37 H35 N5 S2 Se3 Yb2 -","- C37 H35 N5 S2 Se3 Yb2 -","- C74 H70 N10 S4 Se6 Yb4 -","2","1","","Anna Y. Kornienko; Thomas J. Emge; John G. Brennan","Chalcogen-Rich Lanthanide Clusters: Cluster Reactivity and the Influence of Ancillary Ligands on Structure","Journal of the American Chemical Society","2001","123","","11933","11939","10.1021/ja011487u","","","0.71073","MoKα","","0.058","0.0335","","","0.0796","0.0849","","","","","","1.004","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115829","12.405","0.006","30.97","0.02","18.881","0.01","90","0.06","92.25","0.04","90","0.05","7248","7","153","5","153","5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H60 N10 Se11.38 Yb4 -","- C62 H60 N10 Se11.396 Yb4 -","- C248 H240 N40 Se45.584 Yb16 -","4","1","","Anna Y. Kornienko; Thomas J. Emge; John G. Brennan","Chalcogen-Rich Lanthanide Clusters: Cluster Reactivity and the Influence of Ancillary Ligands on Structure","Journal of the American Chemical Society","2001","123","","11933","11939","10.1021/ja011487u","","","0.71073","MoKα","","0.1","0.0558","","","0.1409","0.1536","","","","","","1.003","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115830","10.693","0.002","12.514","0.003","14.836","0.003","74.3","0.03","75.73","0.03","69.95","0.03","1769.2","0.8","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H56 Ir2 N6 P2 -","- C27 H56 Ir2 N6 P2 -","- C54 H112 Ir4 N12 P4 -","2","1","","Eduardo Sola; Francisco Torres; M. Victoria Jiménez; Jose A. López; Silvia E. Ruiz; Fernando J. Lahoz; Anabel Elduque; Luis A. Oro","Transmission of Trans Effects in Dinuclear Complexes","Journal of the American Chemical Society","2001","123","","11925","11932","10.1021/ja016213l","","","0.71073","MoKα","","0.046","0.0311","","","0.0637","0.0714","","","","","","1.064","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115831","12.187","0.003","16.457","0.003","22.246","0.005","88.294","0.004","83.524","0.004","82.862","0.003","4398.3","1.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H56.5 Cl5.5 Ir2 N6 P2 -","- C28.5 H13 Cl5.5 Ir2 N6 P2 -","- C114 H52 Cl22 Ir8 N24 P8 -","4","2","","Eduardo Sola; Francisco Torres; M. Victoria Jiménez; Jose A. López; Silvia E. Ruiz; Fernando J. Lahoz; Anabel Elduque; Luis A. Oro","Transmission of Trans Effects in Dinuclear Complexes","Journal of the American Chemical Society","2001","123","","11925","11932","10.1021/ja016213l","","","0.71073","MoKα","","0.1097","0.0628","","","0.1578","0.1739","","","","","","0.94","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115832","20.598","0.004","12.756","0.003","16.001","0.003","90","","110.03","0.02","90","","3949.9","1.5","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H59 Cl Ir2 N2 O7 P2 -","- C34 H53 Cl Ir2 N2 O7 P2 -","- C136 H212 Cl4 Ir8 N8 O28 P8 -","4","1","","Eduardo Sola; Francisco Torres; M. Victoria Jiménez; Jose A. López; Silvia E. Ruiz; Fernando J. Lahoz; Anabel Elduque; Luis A. Oro","Transmission of Trans Effects in Dinuclear Complexes","Journal of the American Chemical Society","2001","123","","11925","11932","10.1021/ja016213l","","","0.71073","MoKα","","0.0746","0.0459","","","0.102","0.1144","","","","","","0.996","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115833","11.7846","0.0011","18.3407","0.0018","20.285","0.002","100.799","0.002","102.636","0.002","102.471","0.002","4048.6","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H58 F3 Ir2 N2 O5.5 P2 S -","- C34 H53 F3 Ir2 N2 O5.5 P2 S -","- C136 H212 F12 Ir8 N8 O22 P8 S4 -","4","2","","Eduardo Sola; Francisco Torres; M. Victoria Jiménez; Jose A. López; Silvia E. Ruiz; Fernando J. Lahoz; Anabel Elduque; Luis A. Oro","Transmission of Trans Effects in Dinuclear Complexes","Journal of the American Chemical Society","2001","123","","11925","11932","10.1021/ja016213l","","","0.71073","MoKα","","0.1385","0.0568","","","0.0777","0.0923","","","","","","0.746","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115834","11.8839","0.0008","19.9638","0.0013","20.7764","0.0013","90","","91.4","0.001","90","","4927.7","0.6","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H69.5 F3 Ir2 N4 O6.25 P2 S -","- C40 H57 F3 Ir2 N4 O6.25 P2 S -","- C160 H228 F12 Ir8 N16 O25 P8 S4 -","4","1","","Eduardo Sola; Francisco Torres; M. Victoria Jiménez; Jose A. López; Silvia E. Ruiz; Fernando J. Lahoz; Anabel Elduque; Luis A. Oro","Transmission of Trans Effects in Dinuclear Complexes","Journal of the American Chemical Society","2001","123","","11925","11932","10.1021/ja016213l","","","0.71073","MoKα","","0.0848","0.0462","","","0.0874","0.0926","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115835","11.65","0.003","10.091","0.002","15.094","0.003","90","","104.271","0.005","90","","1719.7","0.7","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","Cobalt(III)hexaammineironpentacyanidecarbonyl","","- C6 H24 Co Fe N11 O4 -","- C6 H18 Co Fe N11 O4 -","- C24 H72 Co4 Fe4 N44 O16 -","4","1","","Jianfeng Jiang; Andrew Acunzo; Stephen A. Koch","Chemistry of [FeII(CN)5(CO)]3- New Observations for a 19th Century Compound","Journal of the American Chemical Society","2001","123","","12109","12110","10.1021/ja016434r","","","0.71073","MoKα","","0.1404","0.058","","","0.1231","0.1493","","","","","","0.795","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115836","5.6799","0.0005","16.997","0.002","4.9876","0.0005","90.03","0.002","96.11","0.003","93.385","0.003","477.93","0.09","296.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H28 N2 O4 -","- C20 H28 N2 O4 -","- C20 H28 N2 O4 -","1","0.5","","Nagahama, Sadamu; Matsumoto, Akikazu","Synchronized Propagation Mechanism for Crystalline-State Polymerization of p-Xylylenediammonium Disorbate","Journal of the American Chemical Society","2001","123","49","12176","12181","10.1021/ja011575e","","","0.7107","MoKα","","","0.062","","","","0.104","","","","","","1.732","","","","has coordinates","210876","2020-10-21","18:00:00",""
"4115837","12.7","0.003","13.608","0.002","18.681","0.002","90","","103.61","0.01","90","","3137.8","0.9","296.2","","296.2","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Cl F6 N4 O2 P2 Ru -","- C27 H27 Cl F6 N4 O3 P2 Ru -","- C108 H108 Cl4 F24 N16 O12 P8 Ru4 -","4","1","","Dusan Hesek; Guy A. Hembury; Michael G. B. Drew; Victor V. Borovkov; Yoshihisa Inoue","Photochromic Atropisomer Generation and Conformation Determination in a Ruthenium Bis(bipyridine) Phosphonite γ-Cyclodextrin System","Journal of the American Chemical Society","2001","123","","12232","12237","10.1021/ja0116167","","","0.71073","MoKα","","0.1259","0.0456","","","0.1202","0.1495","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115838","9.774","0.001","9.774","0.001","4.197","0.001","90","","90","","90","","400.94","0.11","293","2","293","2","","","","","","","","4","P 4","P 4","75","nickel bismuth iodide","nickel bismuth sulphoiodide","","- Bi8 I Ni8 S -","- Bi8 I Ni8 S -","- Bi8 I Ni8 S -","1","0.25","","Alexey I. Baranov; Lars A. Kloo; Andrei V. Olenev; Boris A. Popovkin; Anatolii I. Romanenko; Andrei V. Shevelkov","Unique Metallic Wires in a Novel Quasi-1D Compound. Synthesis, Crystal and Electronic Structure, and Properties of Ni8Bi8SI","Journal of the American Chemical Society","2001","123","","12375","12379","10.1021/ja0167001","","","0.71073","MoKα","","0.1097","0.0671","","","0.1594","0.178","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115839","9.345","0.003","10.092","0.002","12.695","0.002","88.11","0.02","69.93","0.02","83.13","0.03","1116.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H31 O4 P -","- C23 H31 O4 P -","- C46 H62 O8 P2 -","2","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.0556","0.0403","","","0.1054","0.1192","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115840","15.271","0.003","9.39","0.002","17.055","0.003","90","","112.8","0.02","90","","2254.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 O4 P -","- C23 H31 O4 P -","- C92 H124 O16 P4 -","4","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.1399","0.0571","","","0.1104","0.1543","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115841","9.617","0.002","22.944","0.002","23.369","0.004","90","","99.24","0.02","90","","5089.5","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H74 O10 P2 -","- C50 H74 O10 P2 -","- C200 H296 O40 P8 -","4","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.0925","0.0506","","","0.124","0.1518","","","","","","1.034","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115842","8.601","0.003","12.744","0.002","13.149","0.002","107.95","0.02","107.2","0.02","103.49","0.03","1223.5","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H35 O5 P -","- C24 H35 O5 P -","- C48 H70 O10 P2 -","2","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.0633","0.042","","","0.114","0.1338","","","","","","1.094","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115843","13.323","0.003","9.806","0.002","21.147","0.003","90","","92.19","0.02","90","","2760.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 N2 O5 P -","- C27 H39 N2 O5 P -","- C108 H156 N8 O20 P4 -","4","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.0705","0.0419","","","0.1055","0.1257","","","","","","1.061","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115844","23.6647","0.0019","12.624","0.002","22.149","0.005","90","","95.301","0.014","90","","6588.6","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H42 N4 O4.5 P -","- C32 H42 N4 O4.5 P -","- C256 H336 N32 O36 P8 -","8","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.1143","0.0561","","","0.1404","0.1783","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115845","16.936","0.0012","19.447","0.006","22.983","0.003","90","","111.093","0.009","90","","7062","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H101 K O16 P2 -","- C66 H101 K O16 P2 -","- C264 H404 K4 O64 P8 -","4","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.1721","0.0633","","","0.1446","0.203","","","","","","1.007","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115846","12.219","0.003","10.395","0.002","12.94","0.005","90","","109.26","0.02","90","","1551.6","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H40 N3 O6 P -","- C28 H40 N3 O6 P -","- C56 H80 N6 O12 P2 -","2","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.1043","0.0592","","","0.1464","0.1898","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115847","13.312","0.003","14.871","0.003","14.95","0.009","90","","97.66","0.03","90","","2933","2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C28.5 H38 N5 O4.5 P -","- C28.5 H38 N5 O4.5 P -","- C114 H152 N20 O18 P4 -","4","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.1394","0.0621","","","0.1632","0.22","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115848","14.647","0.003","10.056","0.002","19.454","0.003","90","","96.998","0.01","90","","2844","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H40 N O6 P -","- C28 H40 N O6 P -","- C112 H160 N4 O24 P4 -","4","2","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.0739","0.0434","","","0.1104","0.1392","","","","","","1.07","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115849","7.638","0.004","13.286","0.004","18.879","0.003","90","","92.61","0.03","90","","1913.8","1.2","292.2","","292.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N O -","- C21 H29 N O -","- C84 H116 N4 O4 -","4","1","","Jonathan Clayden; Madeleine Helliwell; Jennifer H. Pink; Neil Westlund","Stereospecificity and Stereoselectivity in Electrophilic Substitution Reactions of Non-α-Heterosubstituted Organolithiums and Stannanes: A Rotationally Restricted Amide as an Internal Stereochemical Marker","Journal of the American Chemical Society","2001","123","","12449","12457","10.1021/ja0112590","","","0.7107","MoKα","","0.1203","0.0643","","0.0546","0.0504","","","","2.316","2.855","2.855","","","","","has coordinates","209479","2020-10-21","18:00:00",""
"4115850","7.694","","13.465","","22.077","","90","","97.1","","90","","2269.63","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 N O Sn -","- C22 H33 N O Sn -","- C88 H132 N4 O4 Sn4 -","4","1","","Jonathan Clayden; Madeleine Helliwell; Jennifer H. Pink; Neil Westlund","Stereospecificity and Stereoselectivity in Electrophilic Substitution Reactions of Non-α-Heterosubstituted Organolithiums and Stannanes: A Rotationally Restricted Amide as an Internal Stereochemical Marker","Journal of the American Chemical Society","2001","123","","12449","12457","10.1021/ja0112590","","","0.71069","MoKα","","0.0531","0.0365","","","0.097","0.1058","","","","","","1.074","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115851","21.484","0.001","14.019","0.002","11.0229","0.0009","90","","90","","90","","3319.9","0.6","150.2","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C32 H58 Si4 -","- C32 H58 Si4 -","- C128 H232 Si16 -","4","0.5","","Takeaki Iwamoto; Dongzhu Yin; Chizuko Kabuto; Mitsuo Kira","The First 1,3-Disilabicyclo[1.1.0]butane with Long-Bridge Silicon-Silicon Bond","Journal of the American Chemical Society","2001","123","","12730","12731","10.1021/ja011658v","","","0.7107","MoKα","","","0.0431","","","","0.1361","","","","","","0.926","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115852","39.7863","0.002","12.6041","0.0006","25.4511","0.0013","90","","107.363","0.001","90","","12181.4","1.1","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C57 H52 B2 F24 N6 O Pt -","- C57 H52 B2 F33 N6 O Pt -","- C456 H416 B16 F264 N48 O8 Pt8 -","8","1","","Stefan Reinartz; Peter S. White; Maurice Brookhart; Joseph L. Templeton","Structural Characterization of an Intermediate in Arene C-H Bond Activation and Measurement of the Barrier to C-H Oxidative Addition: A Platinum(II) η2-Benzene Adduct","Journal of the American Chemical Society","2001","123","","12724","12725","10.1021/ja011765p","","","0.71073","MolybdenumKα","","0.081","0.053","","0.071","0.067","","","","","2.03","2.03","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115853","4.223","0.0007","11.2105","0.0017","12.332","0.002","90","","94.544","0.016","90","","581.99","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 O2 S -","- C4 H6 O2 S -","- C16 H24 O8 S4 -","4","1","","Rosana M. Romano; Carlos O. Della Védova; Anthony J. Downs; Heinz Oberhammer; Simon Parsons","Structure and Conformational Properties of Diacetyl Sulfide in the Gaseous and Condensed Phases Explored by Gas Electron Diffraction, Single-Crystal X-ray Diffraction, Vibrational Spectroscopy, and Quantum Chemical Calculations","Journal of the American Chemical Society","2001","123","","12623","12631","10.1021/ja0117884","","","0.71073","MoKα","","0.0339","0.0267","","","0.0636","0.0664","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115854","12.5705","0.0013","22.028","0.002","4.6401","0.0005","90","","90","","90","","1284.9","0.2","293","2","293","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Bi9 Yb9 Zn4 -","- Bi9 Yb9 Zn4 -","- Bi18 Yb18 Zn8 -","2","0.25","","Sung-Jin Kim; Jim Salvador; Daniel Bilc; S. D. Mahanti; Mercouri G. Kanatzidis","Yb9Zn4Bi9: Extension of the Zintl Concept to the Mixed-Valent Spectator Cations","Journal of the American Chemical Society","2001","123","","12704","12705","10.1021/ja0168965","","","0.71073","MoKα","","0.0436","0.0378","","","0.1331","0.1364","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115855","16.9109","0.0008","24.267","0.002","30.21","0.003","90","","90","","90","","12397.5","1.7","120","2","120","2","","","","","","","","6","I 2 2 2","I 2 2","23","ASU-16","","","- C6 H18 F4 Ge14 N3 O32 -","- C6 H18 F4 Ge14 N3 O32 -","- C48 H144 F32 Ge112 N24 O256 -","8","1","","Jacques Plévert; Travis M. Gentz; Aaron Laine; Hailian Li; Victor G. Young; Omar M. Yaghi; Michael O'Keeffe","A Flexible Germanate Structure Containing 24-Ring Channels and with Very Low Framework Density","Journal of the American Chemical Society","2001","123","","12706","12707","10.1021/ja016996a","","","0.5594","X-rays","","0.0442","0.0385","","","0.0913","0.0924","","","","","","0.967","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115856","12.3129","0.0018","10.0702","0.0013","8.8975","0.0012","90","","126.471","0.002","90","","887.2","0.2","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","bispotassium salt of closo-B-1,12-decahydroxy-bis(sulfonic acid)-p-carborane dihydrate","K2 closo-2,3,4,5,6,7,8,9,10,11-decahydroxy-1,12-bis(sulfonic acid)- 1,12-dicarbadodecaborane(12) (H2O)2","","- C2 H14 B10 K2 O18 S2 -","- C2 H14 B10 K2 O18 S2 -","- C4 H28 B20 K4 O36 S4 -","2","0.25","","Axel Herzog; Carolyn B. Knobler; M. Frederick Hawthorne","Synthesis, Structure, and Reactivity of closo-2,3,4,5,6,7,8,9,10,11-Decahydroxy-1,12-bis(sulfonic acid)-1,12-dicarbadodecaborane(12)","Journal of the American Chemical Society","2001","123","","12791","12797","10.1021/ja011917g","","","0.71073","MoKα","","0.0298","0.0263","","","0.0705","0.0745","","","","","","0.516","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115857","15.5395","0.0015","13.5678","0.0014","13.6715","0.0014","90","","93.092","0.002","90","","2878.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","closo-2,3,4,5,6,7,8,9,10,11-decamethoxy-1,12-bis(sulfonic acid methyl ester)-1,12-dicarbadodecaborane(12)","","- C14 H36 B10 O16 S2 -","- C14 H36 B10 O16 S2 -","- C56 H144 B40 O64 S8 -","4","1","","Axel Herzog; Carolyn B. Knobler; M. Frederick Hawthorne","Synthesis, Structure, and Reactivity of closo-2,3,4,5,6,7,8,9,10,11-Decahydroxy-1,12-bis(sulfonic acid)-1,12-dicarbadodecaborane(12)","Journal of the American Chemical Society","2001","123","","12791","12797","10.1021/ja011917g","","","0.71073","MoKα","","0.1005","0.0794","","","0.2118","0.2386","","","","","","0.994","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115858","7.4735","0.0014","7.9376","0.0015","9.5097","0.0018","77.594","0.004","73.677","0.003","68.076","0.003","498.4","0.16","298","2","100","2","","","","","","","","5","P -1","-P 1","2","bis hydronium salt of closo-B-decahydroxy-1,12-bis(sulfonic acid)-p-carborane","Closo-2,3,4,5,6,7,8,9,10,11-decahydroxy-1,12-bis(sulfonic acid)- 1,12-dicarbadodecaborane(12)","","- C2 H24 B10 O22 S2 -","- C2 H24 B10 O22 S2 -","- C2 H24 B10 O22 S2 -","1","0.5","","Axel Herzog; Carolyn B. Knobler; M. Frederick Hawthorne","Synthesis, Structure, and Reactivity of closo-2,3,4,5,6,7,8,9,10,11-Decahydroxy-1,12-bis(sulfonic acid)-1,12-dicarbadodecaborane(12)","Journal of the American Chemical Society","2001","123","","12791","12797","10.1021/ja011917g","","","0.71073","MoKα","","0.0301","0.0296","","","0.081","0.0813","","","","","","1.058","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115859","16.282","0.005","7.343","0.002","16.735","0.005","90","","102.579","0.005","90","","1952.8","1","373","2","373","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bissodium salt of closo-B-decahydroxy-1,12-bis(sulfonic acid)-p-carborane","bissodium salt of closo-2,3,4,5,6,7,8,9,10,11-decahydroxy-1,12-bis-(sulfonic acid)- 1,12-dicarbadodecaborane(12)","","- C2 H18 B10 Na2 O20 S2 -","- C2 H18 B10 Na2 O20 S2 -","- C8 H72 B40 Na8 O80 S8 -","4","0.5","","Axel Herzog; Carolyn B. Knobler; M. Frederick Hawthorne","Synthesis, Structure, and Reactivity of closo-2,3,4,5,6,7,8,9,10,11-Decahydroxy-1,12-bis(sulfonic acid)-1,12-dicarbadodecaborane(12)","Journal of the American Chemical Society","2001","123","","12791","12797","10.1021/ja011917g","","","0.71073","MoKα","","0.0594","0.0342","","","0.0779","0.0851","","","","","","0.961","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115860","8.8396","0.0006","20.387","0.002","16.916","0.001","90","","93.02","0.001","90","","3044.2","0.4","173","2","173","2","","","","","","","M. Costas, Prof. L. Que","7","C 1 c 1","C -2yc","9","99339","","","- C24 H32 F6 Fe N4 O6 S2 -","- C24 H32 F6 Fe N4 O6 S2 -","- C96 H128 F24 Fe4 N16 O24 S8 -","4","1","","Miquel Costas; Jan-Uwe Rohde; Audria Stubna; Raymond Y. N. Ho; Luca Quaroni; Eckard Münck; Lawrence Que","A Synthetic Model for the Putative FeIV2O2 Diamond Core of Methane Monooxygenase Intermediate Q","Journal of the American Chemical Society","2001","123","","12931","12932","10.1021/ja017204f","","","0.71073","MoKα","","0.0474","0.0417","","0.1033","0.0988","","","","0.997","1.012","1.012","","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115861","7.5278","0.0013","8.1269","0.0014","6.0546","0.0011","90","","90","","90","","370.41","0.11","107","2","107","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Cu0.32 Dy Te2 -","- Cu0.316 Dy Te2 -","- Cu1.264 Dy4 Te8 -","4","0.5","","Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers","Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2","Journal of the American Chemical Society","2000","122","","80","86","10.1021/ja9919635","","","0.71073","MoKα","","0.0278","0.0229","","","0.0555","0.0574","","","","","","0.94","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115862","7.567","0.0015","8.211","0.0016","6.0893","0.0012","90","","90","","90","","378.34","0.13","107","2","107","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Cu0.33 Gd Te2 -","- Cu0.328 Gd Te2 -","- Cu1.312 Gd4 Te8 -","4","0.5","","Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers","Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2","Journal of the American Chemical Society","2000","122","","80","86","10.1021/ja9919635","","","0.71073","MoKα","","0.033","0.023","","","0.0451","0.0487","","","","","","0.95","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115863","7.7063","0.0013","8.5882","0.0014","6.3115","0.001","90","","90","","90","","417.72","0.12","153","2","153","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Cu0.4 La Te2 -","- Cu0.404 La Te2 -","- Cu1.616 La4 Te8 -","4","0.5","","Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers","Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2","Journal of the American Chemical Society","2000","122","","80","86","10.1021/ja9919635","","","0.71073","MoKα","","0.0299","0.0288","","","0.0745","0.075","","","","","","1.449","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115864","7.6349","0.0007","8.398","0.0008","6.1838","0.0006","90","","90","","90","","396.49","0.07","153","2","153","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Cu0.37 Nd Te2 -","- Cu0.372 Nd Te2 -","- Cu1.488 Nd4 Te8 -","4","0.5","","Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers","Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2","Journal of the American Chemical Society","2000","122","","80","86","10.1021/ja9919635","","","0.71073","MoKα","","0.0208","0.0199","","","0.0484","0.0488","","","","","","1.215","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115865","7.6003","0.001","8.3085","0.0011","6.1412","0.0008","90","","90","","90","","387.8","0.09","153","2","153","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Cu0.34 Sm Te2 -","- Cu0.338 Sm Te2 -","- Cu1.352 Sm4 Te8 -","4","0.5","","Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers","Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2","Journal of the American Chemical Society","2000","122","","80","86","10.1021/ja9919635","","","0.71073","MoKα","","0.0258","0.0253","","","0.0684","0.0687","","","","","","1.341","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115866","18.4753","0.0002","24.7873","0.0005","13.8827","0.0003","90","","103.98","0.001","90","","6169.3","0.2","188","2","188","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu2(OH)(BPAN)](ClO4)3 (1).","","","- C24 H27 Cl3 Cu2 N6 O13 -","- C24 H25 Cl3 Cu2 N6 O13 -","- C192 H200 Cl24 Cu16 N48 O104 -","8","2","","Chuan He; Stephen J. Lippard","Modeling Carboxylate-Bridged Dinuclear Active Sites in Metalloenzymes Using a Novel Naphthyridine-Based Dinucleating Ligand","Journal of the American Chemical Society","2000","122","","184","185","10.1021/ja993125g","","","0.71073","MoKα","","0.0984","0.0541","","","0.1382","0.1594","","","","","","0.95","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115867","21.3905","0.0004","14.6381","0.0003","25.4813","0.0002","90","","90","","90","","7978.6","0.2","188","2","188","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Cu2(OH){(PhO)2PO2}(BPAN)](ClO4)2 (2).","","","- C36 H37 Cl2 Cu2 N6 O13 P -","- C36 H35 Cl2 Cu2 N6 O13 P -","- C288 H280 Cl16 Cu16 N48 O104 P8 -","8","1","","Chuan He; Stephen J. Lippard","Modeling Carboxylate-Bridged Dinuclear Active Sites in Metalloenzymes Using a Novel Naphthyridine-Based Dinucleating Ligand","Journal of the American Chemical Society","2000","122","","184","185","10.1021/ja993125g","","","0.71073","MoKα","","0.0828","0.0412","","","0.1114","0.1346","","","","","","0.859","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115868","20.6472","0.0005","13.1795","0.0002","28.9832","0.001","90","","91.723","0.001","90","","7883.3","0.4","188","2","188","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","[Ni2(OAc)2(BPAN)(CH3OH)](ClO4)2 (3'.CH3OH).","","","- C31 H44 Cl2 N6 Ni2 O15 -","- C31 H33 Cl2 N6 Ni2 O15 -","- C248 H264 Cl16 N48 Ni16 O120 -","8","1","","Chuan He; Stephen J. Lippard","Modeling Carboxylate-Bridged Dinuclear Active Sites in Metalloenzymes Using a Novel Naphthyridine-Based Dinucleating Ligand","Journal of the American Chemical Society","2000","122","","184","185","10.1021/ja993125g","","","0.71073","MoKα","","0.0726","0.0472","","","0.1463","0.1598","","","","","","1.105","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115869","24.6718","0.0002","11.072","0.0002","26.8327","0.0003","90","","109.207","0.001","90","","6921.78","0.16","188","2","188","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","[Co4(OH)4(BPAN)2](ClO4)4 (4.4CH3CN).","","","- C56 H68 Cl4 Co4 N16 O20 -","- C56 H52 Cl4 Co4 N16 O20 -","- C224 H208 Cl16 Co16 N64 O80 -","4","0.5","","Chuan He; Stephen J. Lippard","Modeling Carboxylate-Bridged Dinuclear Active Sites in Metalloenzymes Using a Novel Naphthyridine-Based Dinucleating Ligand","Journal of the American Chemical Society","2000","122","","184","185","10.1021/ja993125g","","","0.71073","MoKα","","0.0999","0.0602","","","0.159","0.1769","","","","","","1.107","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115870","14.6962","0.0006","14.7253","0.0007","20.2001","0.0009","90","","108.557","0.001","90","","4144.1","0.3","188","2","188","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Zn2(OH)(Ph2PO2)(BPAN)](ClO4)2 (5.H2O).","","","- C36 H39 Cl2 N6 O12 P Zn2 -","- C36 H29 Cl2 N6 O12 P Zn2 -","- C144 H116 Cl8 N24 O48 P4 Zn8 -","4","1","","Chuan He; Stephen J. Lippard","Modeling Carboxylate-Bridged Dinuclear Active Sites in Metalloenzymes Using a Novel Naphthyridine-Based Dinucleating Ligand","Journal of the American Chemical Society","2000","122","","184","185","10.1021/ja993125g","","","0.71073","MoKα","","0.1001","0.077","","","0.2141","0.2237","","","","","","1.65","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115871","13.755","0.007","13.79","0.006","11.26","0.006","97.82","0.04","104.17","0.04","75","0.03","1994.2","1.8","113.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H35 Mn O5 P2 Pt S -","- C36 H2 Mn O5 P2 Pt S -","- C72 H4 Mn2 O10 P4 Pt2 S2 -","2","1","","Sanshiro Komiya; Shin-ya Muroi; Masaki Furuya; Masafumi Hirano","Regio- and Stereoselective Insertion Reactions of Thiiranes into Pt-Mn (or Re) Bond in Organoplatinum-Manganese or -Rhenium Heterodinuclear Complexes as Intermediates toward Desulfurization Reaction","Journal of the American Chemical Society","2000","122","","170","171","10.1021/ja993185m","","","0.7107","MoKα","","","0.061","","","","0.0804","","","","","","2.918","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115872","16.12","0.01","16.238","0.007","12.232","0.003","102.01","0.02","91.19","0.04","88.27","0.06","3130","2","293.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27 Mn O5 P2 Pt -","- C32 H27 Mn O5 P2 Pt -","- C128 H108 Mn4 O20 P8 Pt4 -","4","2","","Sanshiro Komiya; Shin-ya Muroi; Masaki Furuya; Masafumi Hirano","Regio- and Stereoselective Insertion Reactions of Thiiranes into Pt-Mn (or Re) Bond in Organoplatinum-Manganese or -Rhenium Heterodinuclear Complexes as Intermediates toward Desulfurization Reaction","Journal of the American Chemical Society","2000","122","","170","171","10.1021/ja993185m","","","0.7107","MoKα","","","0.044","","","","0.073","","","","","","1.205","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115873","13.09","0.06","14.23","0.07","10.79","0.05","106.7","0.4","103.9","0.4","84.8","0.4","1868","16","113.2","","113.2","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H38 Mn O5 P2 Pt S -","- C39 H36 Mn O5 P2 Pt S -","- C78 H72 Mn2 O10 P4 Pt2 S2 -","2","1","","Sanshiro Komiya; Shin-ya Muroi; Masaki Furuya; Masafumi Hirano","Regio- and Stereoselective Insertion Reactions of Thiiranes into Pt-Mn (or Re) Bond in Organoplatinum-Manganese or -Rhenium Heterodinuclear Complexes as Intermediates toward Desulfurization Reaction","Journal of the American Chemical Society","2000","122","","170","171","10.1021/ja993185m","","","0.7107","MoKα","","0.0789","0.0789","","","0.1075","0.1075","","","","","","1.78","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115874","12.624","0.0005","13.4087","0.0005","20.2605","0.0007","104.679","0.001","91.826","0.001","91.535","0.001","3313.7","0.2","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H64 F12 N6 O24 P4 Ru2 S6 -","- C33 H64 F12 N6 O24 P4 Ru2 S6 -","- C66 H128 F24 N12 O48 P8 Ru4 S12 -","2","1","","Md. Munkir Hossain; Yong-Shou Lin; Hiroyasu Sugiyama; Kazuko Matsumoto","Allylic C-H Bond Activation on a Sulfur Center of a Disulfide-Bridged Diruthenium Complex with Concomitant Formation of C-S Bonds","Journal of the American Chemical Society","2000","122","","172","173","10.1021/ja993402j","","","0.71073","MoKα","","0.0811","0.0536","","","0.144","0.1598","","","","","","0.99","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115875","19.43","0.006","22.858","0.007","16.741","0.004","99.99","0.02","93.68","0.02","104.92","0.02","7029","4","173.2","","","","","","","","","","","9","P -1","-P 1","2","","","","- C34 H69 Ag F24 N8 O12 P8 Ru2 S2 -","- C34 Ag F24 N8 O12 P8 Ru2 S2 -","- C136 Ag4 F96 N32 O48 P32 Ru8 S8 -","4","2","","Md. Munkir Hossain; Yong-Shou Lin; Hiroyasu Sugiyama; Kazuko Matsumoto","Allylic C-H Bond Activation on a Sulfur Center of a Disulfide-Bridged Diruthenium Complex with Concomitant Formation of C-S Bonds","Journal of the American Chemical Society","2000","122","","172","173","10.1021/ja993402j","","","0.7107","MoKα","","","0.0821","","","","0.104","","","","","","1.686","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115876","16.32","0.002","22.616","0.003","14.45","0.002","89.957","0.008","89.932","0.006","90.183","0.007","5333.4","1.2","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H72 B2 F8 N8 Ni2 O8 -","- C48 H48 B2 F8 N8 Ni2 O8 -","- C192 H192 B8 F32 N32 Ni8 O32 -","4","2","","Kazushi Shiren; Seiji Ogo; Shuhei Fujinami; Hideki Hayashi; Masatatsu Suzuki; Akira Uehara; Yoshihito Watanabe; Yoshihiko Moro-oka","Synthesis, Structures, and Properties of Bis(μ-oxo)nickel(III) and Bis(μ-superoxo)nickel(II) Complexes: An Unusual Conversion of a NiIII2(μ-O)2 Core into a NiII2(μ-OO)2 Core by H2O2 and Oxygenation of Ligand","Journal of the American Chemical Society","2000","122","","254","262","10.1021/ja990311d","","","0.7107","MoKα","","","0.115","","","0.1217","","","","","1.193","1.193","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115877","13.301","0.006","15.638","0.008","13.857","0.004","90","","104.17","0.02","90","","2795","2","157","","157","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 B2 F8 N8 Ni2 O10 -","- C48 H66 B2 F8 N8 Ni2 O10 -","- C96 H132 B4 F16 N16 Ni4 O20 -","2","0.5","","Kazushi Shiren; Seiji Ogo; Shuhei Fujinami; Hideki Hayashi; Masatatsu Suzuki; Akira Uehara; Yoshihito Watanabe; Yoshihiko Moro-oka","Synthesis, Structures, and Properties of Bis(μ-oxo)nickel(III) and Bis(μ-superoxo)nickel(II) Complexes: An Unusual Conversion of a NiIII2(μ-O)2 Core into a NiII2(μ-OO)2 Core by H2O2 and Oxygenation of Ligand","Journal of the American Chemical Society","2000","122","","254","262","10.1021/ja990311d","","","0.7107","MoKα","","","0.0836","","","0.1218","","","","","1.683","1.683","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115878","12.916","0.003","17.394","0.003","11.7","0.003","107.22","0.02","108.63","0.02","84.53","0.02","2379.2","1","157","","157","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H56 Cl2 N8 Ni2 O11 -","- C45 H56 Cl2 N8 Ni2 O11 -","- C90 H112 Cl4 N16 Ni4 O22 -","2","1","","Kazushi Shiren; Seiji Ogo; Shuhei Fujinami; Hideki Hayashi; Masatatsu Suzuki; Akira Uehara; Yoshihito Watanabe; Yoshihiko Moro-oka","Synthesis, Structures, and Properties of Bis(μ-oxo)nickel(III) and Bis(μ-superoxo)nickel(II) Complexes: An Unusual Conversion of a NiIII2(μ-O)2 Core into a NiII2(μ-OO)2 Core by H2O2 and Oxygenation of Ligand","Journal of the American Chemical Society","2000","122","","254","262","10.1021/ja990311d","","","0.7107","MoKα","","","0.0557","","","0.0955","","","","","1.654","1.654","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115879","23.0808","0.0002","25.9458","0.0009","13.4593","0.0005","90","","110.503","0.002","90","","7549.5","0.4","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Zn2DPD 2","","","- C79 H86 Cl2 N8 O3 Zn2 -","- C79 H86 Cl2 N8 O3 Zn2 -","- C316 H344 Cl8 N32 O12 Zn8 -","4","0.5","","Yongqi Deng; Christopher J. Chang; Daniel G. Nocera","Direct Observation of the ""Pac-Man"" Effect from Dibenzofuran-Bridged Cofacial Bisporphyrins","Journal of the American Chemical Society","2000","122","","410","411","10.1021/ja992955r","","","0.71073","MoKα","","0.1439","0.089","","","0.2391","0.2655","","","","","","1.124","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115880","13.896","0.002","15.476","0.003","33.44","0.007","90","","90","","90","","7191","2","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Fe2DPDO 3","","","- C81 H84 Cl3 Fe2 N8 O4 -","- C81 H84 Cl3 Fe2 N8 O4 -","- C324 H336 Cl12 Fe8 N32 O16 -","4","1","","Yongqi Deng; Christopher J. Chang; Daniel G. Nocera","Direct Observation of the ""Pac-Man"" Effect from Dibenzofuran-Bridged Cofacial Bisporphyrins","Journal of the American Chemical Society","2000","122","","410","411","10.1021/ja992955r","","","0.71073","MoKα","","0.0455","0.042","","","0.1091","0.118","","","","","","1.153","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115881","11.2396","0.0001","20.2835","0.0004","26.6935","0.0004","90","","94.643","0.001","90","","6065.57","0.16","200","1","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,3,5-tri-tert-butylbenzene)vanadium(1+) tetraphenylborate","","- C64 H84 B O V -","- C64 H84 B O V -","- C256 H336 B4 O4 V4 -","4","1","","Douglas C. Gordon; Laura Deakin; Atta M. Arif; Joel S. Miller","Identification of [MII(Arene)2]2+ (M = V, Cr) as the Key Intermediate in the Formation of V[TCNE]x.ySolvent Magnets and Cr[TCNE]x.Solvent","Journal of the American Chemical Society","2000","122","","290","299","10.1021/ja9929741","","","0.71069","MoKα","","0.0794","0.0638","","","0.175","0.1921","","","","","","1.063","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115882","11.0332","0.0003","18.3389","0.0005","22.7485","0.0007","90","","92.8691","0.0016","90","","4597.1","0.2","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,3,5-tri-tert-butylbenzene)vanadium(1+) tetracyanoethanide","","- C48 H72 N4 O1.5 V -","- C48 H72 N4 O1.5 V -","- C192 H288 N16 O6 V4 -","4","1","","Douglas C. Gordon; Laura Deakin; Atta M. Arif; Joel S. Miller","Identification of [MII(Arene)2]2+ (M = V, Cr) as the Key Intermediate in the Formation of V[TCNE]x.ySolvent Magnets and Cr[TCNE]x.Solvent","Journal of the American Chemical Society","2000","122","","290","299","10.1021/ja9929741","","","0.71073","MoKα","","0.1195","0.0733","","","0.1717","0.1992","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115883","10.1818","0.0014","31.962","0.003","9.4921","0.0008","90","","90","","90","","3089","0.6","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 N O4 Si -","- C32 H41 N O4 Si -","- C128 H164 N4 O16 Si4 -","4","1","","Katsuhiko Tomooka; Atsuo Nakazaki; Takeshi Nakai","A Novel Aryl Migration from Silicon to Carbon: An Efficient Approach to Asymmetric Synthesis of α-Aryl β-Hydroxy Cyclic Amines and Silanols","Journal of the American Chemical Society","2000","122","","408","409","10.1021/ja993295t","","","0.7107","MoKα","","0.0596","0.0527","","","0.1244","0.1285","","","","","","1.163","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115884","12.963","0.003","9.2062","0.0015","22.415","0.01","90","","102.65","0.04","90","","2610.1","1.4","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N O4 Si -","- C26 H37 N O4 Si -","- C104 H148 N4 O16 Si4 -","4","1","","Katsuhiko Tomooka; Atsuo Nakazaki; Takeshi Nakai","A Novel Aryl Migration from Silicon to Carbon: An Efficient Approach to Asymmetric Synthesis of α-Aryl β-Hydroxy Cyclic Amines and Silanols","Journal of the American Chemical Society","2000","122","","408","409","10.1021/ja993295t","","","0.7107","MoKα","","0.0853","0.0758","","","0.1622","0.1673","","","","","","1.228","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115885","10.701","0.002","10.206","0.002","10.912","0.002","90","","101.978","0.004","90","","1165.8","0.4","213","2","213","2","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","Tetrakisacetatodiacetonitriledichromium(II)","","- C16 H24 Cr2 N4 O8 -","- C16 H24 Cr2 N4 O8 -","- C32 H48 Cr4 N8 O16 -","2","0.5","","F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo; Hong-Cai Zhou","After 155 Years, A Crystalline Chromium Carboxylate with a Supershort Cr-Cr Bond","Journal of the American Chemical Society","2000","122","","416","417","10.1021/ja993755i","","","0.71073","MoKα","","0.0695","0.0527","","0.1688","0.1458","","","","1.096","1.117","1.117","","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115886","9.7448","0.0006","11.7879","0.0007","14.6524","0.0011","70.899","0.001","70.691","0.001","76.115","0.001","1484.52","0.17","110","2","110","2","","","","","","","synthesized","4","P -1","-P 1","2","none","Tetrakis(2,4,6-triisopropylbenzoicactato)dichromium(II)","","- C64 H92 Cr2 O8 -","- C64 H88 Cr2 O8 -","- C64 H88 Cr2 O8 -","1","0.5","","F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo; Hong-Cai Zhou","After 155 Years, A Crystalline Chromium Carboxylate with a Supershort Cr-Cr Bond","Journal of the American Chemical Society","2000","122","","416","417","10.1021/ja993755i","","","0.71073","MoKα","","0.0648","0.059","","0.1597","0.1519","","","","1.135","1.167","1.167","","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115887","14.445","0.002","16.618","0.002","17.529","0.002","65.918","0.002","74.912","0.002","82.713","0.003","3708.1","0.8","213","2","213","2","","","","","","","synthesized","6","P -1","-P 1","2","","Cr2(TPB)4(CH3CN)2,1.5CH2Cl2","","- C69.5 H101 Cl3 Cr2 N2 O8 -","- C69.5 H13 Cl3 Cr2 N2 O8 -","- C139 H26 Cl6 Cr4 N4 O16 -","2","1","","F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo; Hong-Cai Zhou","After 155 Years, A Crystalline Chromium Carboxylate with a Supershort Cr-Cr Bond","Journal of the American Chemical Society","2000","122","","416","417","10.1021/ja993755i","","","0.71073","MoKα","","0.1191","0.0909","","0.3019","0.2656","","","","1.039","1.143","1.143","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115888","9.8985","0.0001","14.1558","0.0002","14.4381","0.0002","90.094","0.001","99.168","0.001","92.304","0.001","1995.56","0.04","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H35 Fe N3 O2 P2 S -","- C45 H35 Fe N3 O2 P2 S -","- C90 H70 Fe2 N6 O4 P4 S2 -","2","1","","Wen-Feng Liaw; Nan-Hung Lee; Chien-Hong Chen; Chien-Ming Lee; Gene-Hsiang Lee; Shie-Ming Peng","Dinuclear and Mononuclear Iron(II)-Thiolate Complexes with Mixed CO/CN-Ligands: Synthetic Advances for Iron Sites of [Fe]-Only Hydrogenases","Journal of the American Chemical Society","2000","122","","488","494","10.1021/ja992300q","","","0.71073","MoKα","","0.1219","0.0859","","0.1338","0.1237","","","","1.225","1.331","1.331","","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115889","24.4494","0.0003","12.2321","0.0002","31.6646","0.0003","90","","96.737","0.001","90","","9404.5","0.2","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H45 Fe N6 O2 P2 S2 -","- C50 H45 Fe N6 O2 P2 S2 -","- C400 H360 Fe8 N48 O16 P16 S16 -","8","1","","Wen-Feng Liaw; Nan-Hung Lee; Chien-Hong Chen; Chien-Ming Lee; Gene-Hsiang Lee; Shie-Ming Peng","Dinuclear and Mononuclear Iron(II)-Thiolate Complexes with Mixed CO/CN-Ligands: Synthetic Advances for Iron Sites of [Fe]-Only Hydrogenases","Journal of the American Chemical Society","2000","122","","488","494","10.1021/ja992300q","","","0.71073","MoKα","","0.0857","0.0578","","0.1484","0.1323","","","","1.063","1.134","1.134","","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115890","10.8873","0.0015","17.574","0.002","24.673","0.004","90","","92.059","0.012","90","","4717.7","1.1","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C98 H86 Cl4 Fe2 N4 O4 P4 S4 -","- C98 H86 Cl4 Fe2 N4 O4 P4 S4 -","- C196 H172 Cl8 Fe4 N8 O8 P8 S8 -","2","0.5","","Wen-Feng Liaw; Nan-Hung Lee; Chien-Hong Chen; Chien-Ming Lee; Gene-Hsiang Lee; Shie-Ming Peng","Dinuclear and Mononuclear Iron(II)-Thiolate Complexes with Mixed CO/CN-Ligands: Synthetic Advances for Iron Sites of [Fe]-Only Hydrogenases","Journal of the American Chemical Society","2000","122","","488","494","10.1021/ja992300q","","","0.71073","MoKα","","0.1195","0.0698","","0.2546","0.2192","","","","1.096","1.236","1.236","","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115891","13.8327","0.0003","18.5925","0.0002","22.4398","0.0006","90","","98.962","0.001","90","","5700.7","0.2","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H144 Cl2 N40 O50 S -","- C80 H84 Cl2 N40 O50 S -","- C160 H168 Cl4 N80 O100 S2 -","2","0.5","","Jaheon Kim; In-Sun Jung; Soo-Young Kim; Eunsung Lee; Jin-Koo Kang; Shigeru Sakamoto; Kentaro Yamaguchi; Kimoon Kim","New Cucurbituril Homologues: Syntheses, Isolation, Characterization, and X-ray Crystal Structures of Cucurbit[n]uril (n= 5, 7, and 8)","Journal of the American Chemical Society","2000","122","","540","541","10.1021/ja993376p","","","0.71073","MoKα","","0.1255","0.1023","","","0.2811","0.3113","","","","","","1.019","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115892","13.2314","0.0008","18.8133","0.0012","14.0361","0.0009","90","","90","","90","","3494","0.4","188","2","188","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C30 H38 N20 O14 -","- C30 H34 N20 O14 -","- C120 H136 N80 O56 -","4","0.5","","Jaheon Kim; In-Sun Jung; Soo-Young Kim; Eunsung Lee; Jin-Koo Kang; Shigeru Sakamoto; Kentaro Yamaguchi; Kimoon Kim","New Cucurbituril Homologues: Syntheses, Isolation, Characterization, and X-ray Crystal Structures of Cucurbit[n]uril (n= 5, 7, and 8)","Journal of the American Chemical Society","2000","122","","540","541","10.1021/ja993376p","","","0.71073","MoKα","","0.0729","0.0543","","","0.1188","0.1303","","","","","","1.11","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115893","12.8547","0.0002","20.1325","0.0002","31.6616","0.0001","90","","92.588","0.001","90","","8185.58","0.15","188","2","188","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H96 N28 O50 S4 -","- C46 H50 N28 O50 S4 -","- C184 H200 N112 O200 S16 -","4","1","","Jaheon Kim; In-Sun Jung; Soo-Young Kim; Eunsung Lee; Jin-Koo Kang; Shigeru Sakamoto; Kentaro Yamaguchi; Kimoon Kim","New Cucurbituril Homologues: Syntheses, Isolation, Characterization, and X-ray Crystal Structures of Cucurbit[n]uril (n= 5, 7, and 8)","Journal of the American Chemical Society","2000","122","","540","541","10.1021/ja993376p","","","0.71073","MoKα","","0.1495","0.1116","","","0.2859","0.3226","","","","","","1.076","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115894","28.3805","0.0004","28.3805","0.0004","22.0986","0.0002","90","","90","","90","","17799.4","0.4","188","2","188","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C48 H112 N32 O54 S2 -","- C48 H48 N32 O53.6 S2 -","- C384 H384 N256 O428.8 S16 -","8","0.5","","Jaheon Kim; In-Sun Jung; Soo-Young Kim; Eunsung Lee; Jin-Koo Kang; Shigeru Sakamoto; Kentaro Yamaguchi; Kimoon Kim","New Cucurbituril Homologues: Syntheses, Isolation, Characterization, and X-ray Crystal Structures of Cucurbit[n]uril (n= 5, 7, and 8)","Journal of the American Chemical Society","2000","122","","540","541","10.1021/ja993376p","","","0.71073","MoKα","","0.112","0.1002","","","0.2747","0.2899","","","","","","1.042","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115895","13.355","0.003","13.465","0.003","13.642","0.004","90.67","0.019","104.65","0.02","117.435","0.018","2082.9","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","tetrabenzo-24-crown-8-bis(1,2-dichlorethane)cesium nitrate hydrate","","","- C36 H42 Cl4 Cs N O12 -","- C36 H40 Cl4 Cs N O12.01 -","- C72 H80 Cl8 Cs2 N2 O24.02 -","2","1","","Tatiana G. Levitskaia; Jeffrey C. Bryan; Richard A. Sachleben; John D. Lamb; Bruce A. Moyer","A Surprising Host-Guest Relationship between 1,2-Dichloroethane and the Cesium Complex of Tetrabenzo-24-crown-8","Journal of the American Chemical Society","2000","122","","554","562","10.1021/ja992760j","","","0.71073","MoKα","","0.076","0.061","","","0.171","0.182","","","","","","1.07","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115896","19.573","0.004","21.725","0.005","23.668","0.006","92.03","0.03","101.77","0.03","98.51","0.02","9722","4","293","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H135 Cl6 Mo6 N5 O16 -","- C67 Cl3 Mo6 N4.5 O16 -","- C268 Cl12 Mo24 N18 O64 -","4","2","","Joseph B. Strong; Glenn P. A. Yap; Robert Ostrander; Louise M. Liable-Sands; Arnold L. Rheingold; René Thouvenot; Pierre Gouzerh; Eric A. Maatta","A New Class of Functionalized Polyoxometalates: Synthetic, Structural, Spectroscopic, and Electrochemical Studies of Organoimido Derivatives of [Mo6O19]2-","Journal of the American Chemical Society","2000","122","","639","649","10.1021/ja9927974","","","0.71073","MoKα","","0.136","0.0965","","","0.1383","0.1507","","","","","","1.88","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115897","16.873","0.003","20.048","0.003","31.706","0.006","90","","90","","90","","10725","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H81 Mo6 N3 O18 -","- C36 H81 Mo6 N3 O18 -","- C288 H648 Mo48 N24 O144 -","8","1","","Joseph B. Strong; Glenn P. A. Yap; Robert Ostrander; Louise M. Liable-Sands; Arnold L. Rheingold; René Thouvenot; Pierre Gouzerh; Eric A. Maatta","A New Class of Functionalized Polyoxometalates: Synthetic, Structural, Spectroscopic, and Electrochemical Studies of Organoimido Derivatives of [Mo6O19]2-","Journal of the American Chemical Society","2000","122","","639","649","10.1021/ja9927974","","","0.71073","MoKα","","0.1542","0.0695","","0.095","0.0746","","","","1.193","1.29","1.29","","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115898","59.94","0.04","15.486","0.013","28.99","0.02","90","","112.02","0.02","90","","24946","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H165 Cl4 Mo6 N7 O14 -","- C96 H165 Cl4 Mo6 N7 O14 -","- C768 H1320 Cl32 Mo48 N56 O112 -","8","1","","Joseph B. Strong; Glenn P. A. Yap; Robert Ostrander; Louise M. Liable-Sands; Arnold L. Rheingold; René Thouvenot; Pierre Gouzerh; Eric A. Maatta","A New Class of Functionalized Polyoxometalates: Synthetic, Structural, Spectroscopic, and Electrochemical Studies of Organoimido Derivatives of [Mo6O19]2-","Journal of the American Chemical Society","2000","122","","639","649","10.1021/ja9927974","","","0.71073","MoKα","","0.1818","0.117","","","0.3157","0.3839","","","","","","1.844","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115899","18.432","0.007","20.58","0.009","31.379","0.012","90","","90","","90","","11903","8","293","2","236","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H89 Mo6 N3 O18 -","- C44 H89 Mo6 N3 O18 -","- C352 H712 Mo48 N24 O144 -","8","1","","Joseph B. Strong; Glenn P. A. Yap; Robert Ostrander; Louise M. Liable-Sands; Arnold L. Rheingold; René Thouvenot; Pierre Gouzerh; Eric A. Maatta","A New Class of Functionalized Polyoxometalates: Synthetic, Structural, Spectroscopic, and Electrochemical Studies of Organoimido Derivatives of [Mo6O19]2-","Journal of the American Chemical Society","2000","122","","639","649","10.1021/ja9927974","","","0.71073","MoKα","","0.1491","0.078","","0.128","0.1056","","","","1.386","1.7","1.7","","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115900","27.327","0.003","29.127","0.002","16.025","0.002","90","","90.56","0.01","90","","12755","2","298.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H147 Cl3 N36 O36 Zn6 -","- C75 H39 Cl3 N36 O36 Zn6 -","- C300 H156 Cl12 N144 O144 Zn24 -","4","1","","Shin Aoki; Motoo Shiro; Tohru Koike; Eiichi Kimura","Three-Dimensional Supermolecules Assembled from a Tris(Zn2±cyclen) Complex and Di- and Trianionic Cyanuric Acid in Aqueous Solution (Cyclen = 1,4,7,10-Tetraazacyclododecane)","Journal of the American Chemical Society","2000","122","","576","584","10.1021/ja993352i","","","0.7107","MoKα","","","0.091","","","","0.11","","","","","","1.783","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115901","23.43","0.004","23.43","0.004","23.43","0.004","90","","90","","90","","12862","4","298.2","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C144 H344 N72 O88 Zn12 -","- C120 N51.215 O38.25 Zn6 -","- C240 N102.43 O76.5 Zn12 -","2","0.0416667","","Shin Aoki; Motoo Shiro; Tohru Koike; Eiichi Kimura","Three-Dimensional Supermolecules Assembled from a Tris(Zn2±cyclen) Complex and Di- and Trianionic Cyanuric Acid in Aqueous Solution (Cyclen = 1,4,7,10-Tetraazacyclododecane)","Journal of the American Chemical Society","2000","122","","576","584","10.1021/ja993352i","","","0.7107","MoKα","","","0.0677","","","","0.0864","","","","","","1.617","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115902","18.729","0.004","11.758","0.002","12.061","0.002","90","","91.73","0.03","90","","2654.8","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Br2 N2 O -","- C30 H26 Br2 N2 O -","- C120 H104 Br8 N8 O4 -","4","1","","Hormuzd R. Mulla; Arthur Cammers-Goodwin","Stability of a Minimalist, Aromatic Cluster in Aqueous Mixtures of Fluoro Alcohol","Journal of the American Chemical Society","2000","122","","738","739","10.1021/ja993363b","","","0.71073","MoKα","","0.0607","0.043","","0.0982","0.09","","","","1.059","1.11","1.11","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115903","9.04","0.002","7.918","0.002","19.345","0.004","90","","92.17","0.03","90","","1383.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Br2 N2 O2 -","- C30 H30 Br2 N2 O2 -","- C60 H60 Br4 N4 O4 -","2","0.5","","Hormuzd R. Mulla; Arthur Cammers-Goodwin","Stability of a Minimalist, Aromatic Cluster in Aqueous Mixtures of Fluoro Alcohol","Journal of the American Chemical Society","2000","122","","738","739","10.1021/ja993363b","","","0.71073","MoKα","","0.0404","0.0331","","0.0794","0.0762","","","","1.03","1.065","1.065","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115904","9.628","0.002","10.144","0.004","17.6252","0.0019","81.719","0.018","84.37","0.04","68.62","0.03","1584.3","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H30 Cl4 N3 O4 P -","- C29 H30 Cl4 N3 O4 P -","- C58 H60 Cl8 N6 O8 P2 -","2","1","","Sudha Kumaraswamy; C. Muthiah; K. C. Kumara Swamy","Characterization of Stereoisomers of Spirophosphoranes Bearing an Eight-Membered Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus","Journal of the American Chemical Society","2000","122","","964","965","10.1021/ja992304v","","","0.71073","MoKα","","0.0418","0.0341","","","0.1013","0.1096","","","","","","1.11","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115905","11.326","0.006","12.984","0.004","15.124","0.008","105.69","0.05","110.74","0.05","94.71","0.05","1963","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H43 Cl4 O4 P -","- C42 H43 Cl4 O4 P -","- C84 H86 Cl8 O8 P2 -","2","1","","Sudha Kumaraswamy; C. Muthiah; K. C. Kumara Swamy","Characterization of Stereoisomers of Spirophosphoranes Bearing an Eight-Membered Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus","Journal of the American Chemical Society","2000","122","","964","965","10.1021/ja992304v","","","0.71073","MoKα","","0.0868","0.0509","","","0.1353","0.1604","","","","","","1.09","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4115906","11.656","0.006","12.354","0.009","13.738","0.004","82.49","0.03","79.47","0.03","85.56","0.05","1925.3","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.5 H38 Cl5 O4 P S -","- C38.5 H34 Cl5 O4 P S -","- C77 H68 Cl10 O8 P2 S2 -","2","1","","Sudha Kumaraswamy; C. Muthiah; K. C. Kumara Swamy","Characterization of Stereoisomers of Spirophosphoranes Bearing an Eight-Membered Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus","Journal of the American Chemical Society","2000","122","","964","965","10.1021/ja992304v","","","0.71073","MoKα","","0.106","0.0753","","","0.1828","0.2435","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115907","10.444","0.007","13.6216","0.0015","14.8438","0.0018","65.909","0.01","78.6","0.02","71.82","0.02","1825.5","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H41 Cl4 O4 P -","- C37 H41 Cl4 O4 P -","- C74 H82 Cl8 O8 P2 -","2","1","","Sudha Kumaraswamy; C. Muthiah; K. C. Kumara Swamy","Characterization of Stereoisomers of Spirophosphoranes Bearing an Eight-Membered Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus","Journal of the American Chemical Society","2000","122","","964","965","10.1021/ja992304v","","","0.71073","MoKα","","0.0738","0.0466","","","0.117","0.1346","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115908","10.841","0.002","13.382","0.003","15.039","0.003","64.55","0.03","84.89","0.03","70.72","0.03","1856","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H42 Cl4 N O4 P -","- C37 H42 Cl4 N O4 P -","- C74 H84 Cl8 N2 O8 P2 -","2","1","","Sudha Kumaraswamy; C. Muthiah; K. C. Kumara Swamy","Characterization of Stereoisomers of Spirophosphoranes Bearing an Eight-Membered Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus","Journal of the American Chemical Society","2000","122","","964","965","10.1021/ja992304v","","","0.71073","MoKα","","0.1542","0.0597","","","0.1523","0.2056","","","","","","1.067","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115909","12.205","0.003","26.86","0.003","14.048","0.003","90","","91.01","0.02","90","","4604.6","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H45 Cl4 N O4 P2 -","- C47 H45 Cl4 N O4 P2 -","- C188 H180 Cl16 N4 O16 P8 -","4","1","","Sudha Kumaraswamy; C. Muthiah; K. C. Kumara Swamy","Characterization of Stereoisomers of Spirophosphoranes Bearing an Eight-Membered Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus","Journal of the American Chemical Society","2000","122","","964","965","10.1021/ja992304v","","","0.71073","MoKα","","0.1645","0.0792","","","0.2158","0.2911","","","","","","1.04","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4115910","18.583","0.003","8.395","0.001","27.732","0.003","90","","107.69","0.01","90","","4121.7","1","203.2","","203.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H11 Cu F20 N4 O -","- C46 H11 Cu F20 N4 O -","- C184 H44 Cu4 F80 N16 O4 -","4","1","","Hiroyuki Furuta; Hiromitsu Maeda; Atsuhiro Osuka","Doubly N-Confused Porphyrin: A New Complexing Agent Capable of Stabilizing Higher Oxidation States","Journal of the American Chemical Society","2000","122","","803","807","10.1021/ja992679g","","","0.7107","MoKα","","0.0587","0.0587","","0.0919","","0.0919","","","1.299","","","1.299","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115911","18.685","0.003","8.528","0.003","27.886","0.004","90","","107","","90","","4249.4","1.8","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H14 F20 N4 O -","- C46 H14 F20 N4 O -","- C184 H56 F80 N16 O4 -","4","1","","Hiroyuki Furuta; Hiromitsu Maeda; Atsuhiro Osuka","Doubly N-Confused Porphyrin: A New Complexing Agent Capable of Stabilizing Higher Oxidation States","Journal of the American Chemical Society","2000","122","","803","807","10.1021/ja992679g","","","0.7107","MoKα","","0.062","0.062","","0.056","","0.056","","","1.834","","","1.83","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115912","18.734","0.003","8.324","0.001","27.674","0.003","90","","107.84","0.01","90","","4108","1","123.2","","123.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H11 Ag F20 N4 O -","- C46 H11 Ag F20 N4 O -","- C184 H44 Ag4 F80 N16 O4 -","4","1","","Hiroyuki Furuta; Hiromitsu Maeda; Atsuhiro Osuka","Doubly N-Confused Porphyrin: A New Complexing Agent Capable of Stabilizing Higher Oxidation States","Journal of the American Chemical Society","2000","122","","803","807","10.1021/ja992679g","","","0.7107","MoKα","","0.0706","0.071","","0.075","","0.075","","","1.613","","","1.61","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115913","24.797","0.006","8.594","0.002","5.6891","0.0009","90","","90","","90","","1212.4","0.4","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Sb7 Ti2.68 Zr4.32 -","- Sb7 Ti2.68 Zr4.32 -","- Sb28 Ti10.72 Zr17.28 -","4","0.25","","Holger Kleinke","Zr1-xTixSb: A Novel Antimonide on the Quasibinary Section ZrSb-TiSb with a Complex Crystal Structure Exhibiting Linear Sb Chains and Fragments of the TiSb Structure","Journal of the American Chemical Society","2000","122","","853","860","10.1021/ja993423d","","","0.71073","MoKα","","0.1149","0.0365","","0.0787","0.0679","","","","0.592","0.838","0.838","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115914","24.658","0.002","8.5431","0.0008","5.6754","0.0005","90","","90","","90","","1195.56","0.18","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Sb7 Ti3.34 Zr3.66 -","- Sb7 Ti3.332 Zr3.668 -","- Sb28 Ti13.328 Zr14.672 -","4","0.25","","Holger Kleinke","Zr1-xTixSb: A Novel Antimonide on the Quasibinary Section ZrSb-TiSb with a Complex Crystal Structure Exhibiting Linear Sb Chains and Fragments of the TiSb Structure","Journal of the American Chemical Society","2000","122","","853","860","10.1021/ja993423d","","","0.71073","MoKα","","0.0511","0.0293","","0.0569","0.055","","","","0.748","0.914","0.914","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115915","24.558","0.002","8.5206","0.0009","5.6669","0.0005","90","","90","","90","","1185.79","0.19","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Sb7 Ti3.84 Zr3.16 -","- Sb7 Ti3.848 Zr3.152 -","- Sb28 Ti15.392 Zr12.608 -","4","0.25","","Holger Kleinke","Zr1-xTixSb: A Novel Antimonide on the Quasibinary Section ZrSb-TiSb with a Complex Crystal Structure Exhibiting Linear Sb Chains and Fragments of the TiSb Structure","Journal of the American Chemical Society","2000","122","","853","860","10.1021/ja993423d","","","0.71073","MoKα","","0.0496","0.029","","0.06","0.0579","","","","0.769","0.932","0.932","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115916","12.375","0.0006","15.0495","0.0006","15.9682","0.0007","73.682","0.001","79.643","0.001","72.099","0.001","2701.7","0.2","203","2","203","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H56 S4 -","- C64 H56 S4 -","- C128 H112 S8 -","2","1","","Michael J. Marsella; In Tae Kim; Fook Tham","Toward Conjugated Double Helical Ladder Polymers: Cyclooctatetrathiophene as a Highly Versatile Double Helical Scaffold","Journal of the American Chemical Society","2000","122","","974","975","10.1021/ja9939340","","","0.71073","MoKα","","0.0669","0.0442","","","0.1153","0.1276","","","","","","1.042","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115917","9.641","0.001","10.608","0.001","10.587","0.001","90","","111.98","0.01","90","","1004.05","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H33 N2 P Si2 -","- C14 H33 N2 P Si2 -","- C28 H66 N4 P2 Si4 -","2","1","","Tsuyoshi Kato; Heinz Gornitzka; Antoine Baceiredo; Andreas Savin; Guy Bertrand","On the Electronic Structure of (Phosphino)(silyl)carbenes: Single-Crystal X-ray Diffraction and ELF Analyses","Journal of the American Chemical Society","2000","122","","998","999","10.1021/ja9939542","","","0.71073","MoKα","","0.063","0.0354","","","0.074","0.083","","","","","","0.935","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115918","11.507","0.007","12.917","0.002","13.209","0.005","67.93","0.05","87.42","0.04","84.94","0.06","1812.2","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H39 Cl4 N2 O4 P -","- C33 H36 Cl4 N2 O4 P -","- C66 H72 Cl8 N4 O8 P2 -","2","1","","Sudha Kumaraswamy; C. Muthiah; K. C. Kumara Swamy","Characterization of Stereoisomers of Spirophosphoranes Bearing an Eight-Membered Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus","Journal of the American Chemical Society","2000","122","","964","965","10.1021/ja992304v","","","0.71073","MoKα","","0.0621","0.0414","","","0.1222","0.1426","","","","","","1.108","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115919","19.3979","0.0004","19.3979","0.0004","11.3278","0.0003","90","","90","","90","","4262.41","0.17","125","","125","","","","","","","","","6","I 4","I 4","79","","","","- C44 H108 Cl8 N6 O33 V12 -","- C44 H108 Cl8 N6 O33 V12 -","- C88 H216 Cl16 N12 O66 V24 -","2","0.25","","N. Kawanami; T. Ozeki; A. Yagasaki","NO-Anion Trapped in a Molecular Oxide Bowl","Journal of the American Chemical Society","2000","122","","1239","1240","10.1021/ja993539+","","","0.71073","MoKα","","0.0325","0.0286","","","0.0745","0.0757","","","","","","1.084","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115920","9.1582","0.0018","10.905","0.002","14.564","0.005","103.8","0.02","100.23","0.02","105.08","0.013","1318.6","0.6","293","2","293","2","","","","","","","synthesis","5","P -1","-P 1","2","","Pentacarbonyl[3-dimethylamino-5-(2-furyl)-1,2-dimethoxycarbonyl-2,4- pentadien-1-yliden]chromium (0)","","- C20 H17 Cr N O10 -","- C21 H17 Cl3 Cr N O10 -","- C42 H34 Cl6 Cr2 N2 O20 -","2","1","","José Barluenga; Fernando Aznar; Ignacio Gutiérrez; Alfredo Martín; Santiago García-Granda; M. Amparo Llorca-Baragaño","First Stepwise Dötz Reaction: Isolation and Characterization of a Chelated Metallatriene Intermediate. Influence of Its Pattern of Substitution in Product Partition","Journal of the American Chemical Society","2000","122","","1314","1324","10.1021/ja991865j","","","0.71073","MoKα","","0.0998","0.0429","","","0.1102","0.1226","","","","","","1.287","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115921","12.408","0.002","12.505","0.003","17.771","0.004","103.19","0.03","91.56","0.03","104.95","0.03","2582.9","1.1","173","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H44 Cl4 N20 O23 Pt3 -","- C30 H29 Cl4 N20 O23 Pt3 -","- C60 H58 Cl8 N40 O46 Pt6 -","2","1","","Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert","Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd)","Journal of the American Chemical Society","2000","122","","1381","1390","10.1021/ja9931325","","","0.71069","MoKα","","0.0875","0.0577","","","0.1423","0.153","","","","","","1.026","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115922","15.363","0.003","18.948","0.004","21.679","0.004","89.95","0.03","75.24","0.03","86","0.03","6087","2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H105 F48 N40 O22.5 P8 Pt6 -","- C60 H84 F48 N40 O22.5 P8 Pt6 -","- C120 H168 F96 N80 O45 P16 Pt12 -","2","1","","Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert","Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd)","Journal of the American Chemical Society","2000","122","","1381","1390","10.1021/ja9931325","","","0.71069","MoKα","","0.125","0.0731","","0.2223","0.1872","","","","1.019","1.15","1.15","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115923","8.878","0.002","10.223","0.002","10.313","0.002","62.44","0.03","77.18","0.03","69.93","0.03","777.2","0.4","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 N8 O6 Pt -","- C10 H14 N8 O6 Pt -","- C20 H28 N16 O12 Pt2 -","2","1","","Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert","Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd)","Journal of the American Chemical Society","2000","122","","1381","1390","10.1021/ja9931325","","","0.71069","MoKα","","0.0462","0.0313","","0.1496","0.0727","","","","1.033","1.062","1.062","","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115924","16.992","0.003","23.817","0.005","21.944","0.004","90","","95.19","0.03","90","","8844","3","126","2","126","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H74 F30 N31 O25 P5 Pt6 -","- C36 H66 F30 N31 O25 P5 Pt6 -","- C144 H264 F120 N124 O100 P20 Pt24 -","4","1","","Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert","Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd)","Journal of the American Chemical Society","2000","122","","1381","1390","10.1021/ja9931325","","","0.71073","MoKα","","0.1168","0.0774","","0.2338","0.2063","","","","1.059","1.224","1.224","","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115925","16.977","0.003","22.705","0.005","22.734","0.005","90","","93.74","0.03","90","","8744","3","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H76 F48 N28 O17 P8 Pd6 -","- C36 H66 F48 N28 O17 P8 Pd6 -","- C144 H264 F192 N112 O68 P32 Pd24 -","4","1","","Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert","Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd)","Journal of the American Chemical Society","2000","122","","1381","1390","10.1021/ja9931325","","","0.71069","MoKα","","0.1095","0.0506","","0.1341","0.1115","","","","0.898","1.119","1.119","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115926","16.92","0.003","24.099","0.005","22.146","0.004","90","","95.18","0.03","90","","8993","3","143","2","143","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H85.5 F30 N31 O30.75 P5 Pd3 Pt3 -","- C36 H58 F30 N31 O30.75 P5 Pd3 Pt3 -","- C144 H232 F120 N124 O123 P20 Pd12 Pt12 -","4","1","","Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert","Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd)","Journal of the American Chemical Society","2000","122","","1381","1390","10.1021/ja9931325","","","0.71069","MoKα","","0.1161","0.0937","","0.2583","0.2266","","","","1.112","1.209","1.209","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115927","14.936","0.003","13.216","0.003","31.407","0.006","90","","95.43","0.03","90","","6172","2","114","2","114","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C30 H57.5 Ag F12 N23 O22.75 P2 Pt3 -","- C30 H42 Ag F12 N23 O22.75 P2 Pt3 -","- C120 H168 Ag4 F48 N92 O91 P8 Pt12 -","4","1","","Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert","Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd)","Journal of the American Chemical Society","2000","122","","1381","1390","10.1021/ja9931325","","","0.71073","MoKα","","0.1058","0.0528","","0.1702","0.1276","","","","0.94","1.121","1.121","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115928","15.03","0.003","22.002","0.004","20.016","0.004","90","","99.04","0.03","90","","6537","2","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C30 H64 Ag2 N26 O35 Pt3 -","- C30 H36 Ag2 N26 O35 Pt3 -","- C120 H144 Ag8 N104 O140 Pt12 -","4","1","","Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert","Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd)","Journal of the American Chemical Society","2000","122","","1381","1390","10.1021/ja9931325","","","0.71069","MoKα","","0.1235","0.0801","","0.2513","0.2023","","","","1.016","1.118","1.118","","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115929","7.418","0.001","11.056","0.002","12.63","0.002","87.225","0.004","74.044","0.003","85.097","0.003","991.9","0.3","163","2","163","2","","","","","","","","6","P -1","-P 1","2","[(N-(phosphonomethyl)-aza-18-crown-6*H2O))2*ClO4]","","","- C26 H61 Cl N2 O22 P2 -","- C26 H61 Cl N2 O22 P2 -","- C26 H61 Cl N2 O22 P2 -","1","0.5","","C. V. Krishnamohan Sharma; Abraham Clearfield","""Macrocyclic Leaflets""","Journal of the American Chemical Society","2000","122","","1558","1559","10.1021/ja9938377","","","0.71073","MoKα","","0.0567","0.0498","","","0.1322","0.1395","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115930","17.136","0.002","20.818","0.003","20.858","0.003","90","","104.937","0.002","90","","7189.4","1.7","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cd4(N-(phosphonomethyl)-aza-18-crown-6*H2O))3*(H2O)5(NO3)4][NO3]","","","- C39 H97 Cd4 N8 O47 P3 -","- C39 H81 Cd4 N8 O47 P3 -","- C156 H324 Cd16 N32 O188 P12 -","4","1","","C. V. Krishnamohan Sharma; Abraham Clearfield","""Macrocyclic Leaflets""","Journal of the American Chemical Society","2000","122","","1558","1559","10.1021/ja9938377","","","0.71073","MoKα","","0.3459","0.0687","","","0.1335","0.1982","","","","","","0.719","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115931","13.982","0.005","18.416","0.004","22.753","0.004","90","","100.19","0.02","90","","5766","3","294.2","","294.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H57 Cl3 Mo N3 O P4 -","- C60 H57 Cl3 Mo N3 O P4 -","- C240 H228 Cl12 Mo4 N12 O4 P16 -","4","1","","Yoshiaki Tanabe; Hidetake Seino; Youichi Ishii; Masanobu Hidai","Reaction Mechanism of the C\τbN Triple Bond Cleavage of β-Ketonitriles on a Molybdenum(0) Center1","Journal of the American Chemical Society","2000","122","","1690","1699","10.1021/ja9921928","","","0.7107","MoKα","","0.0516","0.0516","","","0.035","0.035","","","","","","1.632","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115932","9.8581","0.0009","13.628","0.002","25.851","0.003","102.97","0.01","96.791","0.009","104.099","0.009","3227","0.7","294.2","","294.2","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H76 Mo N2 O2 P4 -","- C72 H67 Mo N2 O2 P4 -","- C144 H134 Mo2 N4 O4 P8 -","2","1","","Yoshiaki Tanabe; Hidetake Seino; Youichi Ishii; Masanobu Hidai","Reaction Mechanism of the C\τbN Triple Bond Cleavage of β-Ketonitriles on a Molybdenum(0) Center1","Journal of the American Chemical Society","2000","122","","1690","1699","10.1021/ja9921928","","","0.7107","MoKα","","0.063","0.063","","","0.0411","0.0411","","","","","","1.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115933","14.983","0.002","15.11","0.003","16.682","0.003","107.7","0.02","102.01","0.01","96.98","0.02","3449.3","1.2","294.2","","294.2","","","","","","","","","9","P -1","-P 1","2","","","","- C71 H61 Cl2 F3 Mo N2 O5 P4 S -","- C71 H61 Cl2 F3 Mo N2 O5 P4 S -","- C142 H122 Cl4 F6 Mo2 N4 O10 P8 S2 -","2","1","","Yoshiaki Tanabe; Hidetake Seino; Youichi Ishii; Masanobu Hidai","Reaction Mechanism of the C\τbN Triple Bond Cleavage of β-Ketonitriles on a Molybdenum(0) Center1","Journal of the American Chemical Society","2000","122","","1690","1699","10.1021/ja9921928","","","0.7107","MoKα","","0.0689","0.0689","","","0.0557","0.0557","","","","","","2.407","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115934","12.22","0.001","12.22","","28.927","0.003","90","","90","","120","","3740.9","0.5","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","(K-crypt)2Bi2","","- C36 H72 Bi2 K2 N4 O12 -","- C36 H72 Bi2 K2 N4 O12 -","- C108 H216 Bi6 K6 N12 O36 -","3","0.166667","","Li Xu; Svilen Bobev; Jaouad El-Bahraoui; Slavi C. Sevov","A Naked Diatomic Molecule of Bismuth, [Bi2]2-, with a Short Bi-Bi Bond: Synthesis and Structure","Journal of the American Chemical Society","2000","122","","1838","1839","10.1021/ja992422i","","","0.71073","MoKα","","0.0341","0.0283","","","0.0682","0.0712","","","","","","1.077","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115935","10.224","0.002","10.476","0.003","10.024","0.003","116.84","0.02","93.15","0.02","83.69","0.02","952.2","0.5","298","","","","","","","","","","","4","P 1","P 1","1","","","","- C45 H47 N O5 -","- C45 H47 N O5 -","- C45 H47 N O5 -","1","1","","Hiroyuki Hosomi; Shigeru Ohba; Koichi Tanaka; Fumio Toda","The First in Situ Observation of Intramolecular Rotation and Cyclization of Anilide by an X-ray Study: Partial Single-Crystal to Single-Crystal Photocyclization of N-Methyl-N-{(E)-methylmethacryloyl}anilide in Inclusion Crystals","Journal of the American Chemical Society","2000","122","","1818","1819","10.1021/ja992437g","","","0.71073","MoKα","","","0.068","","","","0.172","","","","","","1.7","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115936","10.283","0.001","10.295","0.001","10.141","0.001","118.29","0.01","92.79","0.01","84","0.01","940.16","0.18","300","","","","","","","","","","","4","P 1","P 1","1","","","","- C45 H47 N O5 -","- C45 H47 N O5 -","- C45 H47 N O5 -","1","1","","Hiroyuki Hosomi; Shigeru Ohba; Koichi Tanaka; Fumio Toda","The First in Situ Observation of Intramolecular Rotation and Cyclization of Anilide by an X-ray Study: Partial Single-Crystal to Single-Crystal Photocyclization of N-Methyl-N-{(E)-methylmethacryloyl}anilide in Inclusion Crystals","Journal of the American Chemical Society","2000","122","","1818","1819","10.1021/ja992437g","","","0.71073","MoKα","","","0.056","","","","0.092","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115937","6.2674","0.0012","24.787","0.005","11.381","0.002","90","","103.639","0.003","90","","1718.2","0.6","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8,8,9,9,10,10-hexafluoro-trans-1,2,4,14-tetramethyl-3,15-dithiatetracyclo[10 .3. pentadeca-4,6(7),11(12),13-tetraene 3-(2-(2,5-dimethyl(3-thienyl))-3,3,4,4,5,5-hexafluorocyclopent-1-enyl)-2,5-d imethylthiophene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","1","","Taro Yamada; Seiya Kobatake; Keishi Muto; Masahiro Irie","X-ray Crystallographic Study on Single-Crystalline Photochromism of Bis(2,5-dimethyl-3-thienyl)perfluorocyclopentene","Journal of the American Chemical Society","2000","122","","1589","1592","10.1021/ja993289x","","","0.71073","MoKα","","0.0647","0.0433","","","0.1028","0.1106","","","","","","1.093","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115938","6.2192","0.0009","24.52","0.004","11.3026","0.0016","90","","103.667","0.003","90","","1674.8","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8,8,9,9,10,10-hexafluoro-trans-1,2,4,14-tetramethyl-3,15-dithiatetracyclo[10 .3.0 pentadeca-4,6(7),11(12),13-tetraene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","1","","Taro Yamada; Seiya Kobatake; Keishi Muto; Masahiro Irie","X-ray Crystallographic Study on Single-Crystalline Photochromism of Bis(2,5-dimethyl-3-thienyl)perfluorocyclopentene","Journal of the American Chemical Society","2000","122","","1589","1592","10.1021/ja993289x","","","0.71073","MoKα","","0.0516","0.0395","","","0.0976","0.1022","","","","","","1.046","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115939","24.861","0.01","12.129","0.003","12.258","0.006","90","","117.482","0.019","90","","3279","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H46 N4 O4 -","- C35 H46 N4 O4 -","- C140 H184 N16 O16 -","4","0.5","","Natia L. Frank; Rodolphe Clérac; Jean-Pascal Sutter; Nathalie Daro; Olivier Kahn; Claude Coulon; Michael T. Green; Stéphane Golhen; Lahcène Ouahab","Synthesis, Crystal Structure, Magnetic, and Electron Paramagnetic Resonance Properties of a Spiroconjugated Biradical. Evidence for Spiroconjugation Exchange Pathway","Journal of the American Chemical Society","2000","122","","2053","2061","10.1021/ja993071a","","","0.71073","MoKα","","0.2025","0.0612","","","0.1232","0.1628","","","","","","0.988","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115940","10.6091","0.0003","16.4474","0.0007","10.6701","0.0004","90","","116.877","0.002","90","","1660.73","0.11","203.2","","203.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H44 Li N O3 Si -","- C36 H44 Li N O3 Si -","- C72 H88 Li2 N2 O6 Si2 -","2","1","","Atsushi Kawachi; Kohei Tamao","Structures of [(Amino)phenylsilyl]lithiums and Related Compounds in Solution and in the Solid State","Journal of the American Chemical Society","2000","122","","1919","1926","10.1021/ja993101+","","","0.7107","MoKα","","","0.0556","","","0.0802","","","","","1.209","1.209","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115941","9.562","0.003","20.869","0.003","10.136","0.002","90","","104.42","0.02","90","","1958.9","0.8","293.2","","293.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F N Si -","- C24 H20 F N Si -","- C96 H80 F4 N4 Si4 -","4","1","","Atsushi Kawachi; Kohei Tamao","Structures of [(Amino)phenylsilyl]lithiums and Related Compounds in Solution and in the Solid State","Journal of the American Chemical Society","2000","122","","1919","1926","10.1021/ja993101+","","","1.5418","CuKα","","0","0","","","0","0.058","","","","","","1.84","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115942","10.413","0.002","12.8154","0.0007","9.74","0.002","97.081","0.01","92.01","0.02","86.315","0.008","1286.7","0.4","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N Si Sn -","- C27 N Si Sn -","- C54 N2 Si2 Sn2 -","2","1","","Atsushi Kawachi; Kohei Tamao","Structures of [(Amino)phenylsilyl]lithiums and Related Compounds in Solution and in the Solid State","Journal of the American Chemical Society","2000","122","","1919","1926","10.1021/ja993101+","","","1.5418","CuKα","","0.0421","0.0421","","","0.0697","0.0697","","","","","","1.547","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115943","9.4557","0.0005","20.739","0.001","10.0569","0.0006","90","","103.887","0.003","90","","1914.53","0.18","203.2","","203.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N Si -","- C24 H N Si -","- C96 H4 N4 Si4 -","4","1","","Atsushi Kawachi; Kohei Tamao","Structures of [(Amino)phenylsilyl]lithiums and Related Compounds in Solution and in the Solid State","Journal of the American Chemical Society","2000","122","","1919","1926","10.1021/ja993101+","","","0.7107","MoKα","","0.0617","0.0617","","","0.0908","0.0908","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115944","4.319","0.007","12.198","0.008","15.287","0.007","90","","94.6","0.1","90","","802.8","1.5","193.2","","193.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O4 Te2 -","- C16 H14 O4 Te2 -","- C32 H28 O8 Te4 -","2","0.5","","Osamu Niyomura; Shinzi Kato; Satoshi Inagaki","An Unusual Planar Diacyl Ditelluride (2-MeOC6H4COTe)2: The Origin of Its Planarity","Journal of the American Chemical Society","2000","122","","2132","2133","10.1021/ja993120j","","","0.7107","MoKα","","0.0631","0.0631","","","0.0767","0.0767","","","","","","3.941","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115945","21.786","0.004","15.756","0.002","8.818","0.003","90","","90","","90","","3026.9","1.2","193.2","","193.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O4 S2 -","- C16 H14 O4 S2 -","- C128 H112 O32 S16 -","8","1","","Osamu Niyomura; Shinzi Kato; Satoshi Inagaki","An Unusual Planar Diacyl Ditelluride (2-MeOC6H4COTe)2: The Origin of Its Planarity","Journal of the American Chemical Society","2000","122","","2132","2133","10.1021/ja993120j","","","0.7107","MoKα","","0.0492","0.0492","","","0.0506","0.0506","","","","","","1.13","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115946","8.2734","0.0007","26.44","0.003","8.1081","0.0006","92.194","0.009","115.366","0.006","85.14","0.009","1596.9","0.3","193.2","","193.2","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 O4 Se2 -","- C16 H14 O4 Se2 -","- C64 H56 O16 Se8 -","4","2","","Osamu Niyomura; Shinzi Kato; Satoshi Inagaki","An Unusual Planar Diacyl Ditelluride (2-MeOC6H4COTe)2: The Origin of Its Planarity","Journal of the American Chemical Society","2000","122","","2132","2133","10.1021/ja993120j","","","0.7107","MoKα","","0.0333","0.0333","","","0.0332","0.0331","","","","","","1.377","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115947","14.3274","0.0007","14.8789","0.0008","17.3698","0.0009","75.701","0.003","85.431","0.003","68.56","0.003","3339.6","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H45 B Cl3 F24 Fe3 N Si -","- C68 H45 B Cl3 F24 Fe3 N Si -","- C136 H90 B2 Cl6 F48 Fe6 N2 Si2 -","2","1","","Mark J. MacLachlan; Sara C. Bourke; Alan J. Lough; Ian Manners","Ring-Opening Protonolysis of Strained Silicon-Containing Rings: A New Approach to Ions with Silylium Character","Journal of the American Chemical Society","2000","122","","2126","2127","10.1021/ja993602v","","","0.71073","MoKα","","0.0893","0.0595","","0.1623","0.142","","","","1.017","1.082","1.082","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115948","6.8294","0.0004","13.6781","0.0009","17.5898","0.0012","90","","90.666","0.001","90","","1643.01","0.18","173","2","173","2","","","","","","","Prof. P. Kaszynski - Vanderbilt University","4","P 1 21/n 1","-P 2yn","14","99003a","","","- C17 H17 N5 S -","- C17 H17 N5 S -","- C68 H68 N20 S4 -","4","1","","Piotr Kaszynski; Victor G. Young","Nucleophile-Induced Intramolecular Dipole 1,5-Transfer and 1,6-Cyclization: Experimental and ab Initio Studies of Formation, Thermolysis, and Molecular and Electronic Structures of 3,6-Diphenyl-1-propanesulfenimido-1,2,4,5-tetrazine","Journal of the American Chemical Society","2000","122","","2087","2095","10.1021/ja993884z","","","0.71073","MoKα","","0.0498","0.0323","","0.0819","0.0775","","","","1.031","1.14","1.14","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115949","10.013","0.005","19.02","0.01","15.34","0.01","90","","106.32","0.03","90","","2804","3","135.2","","135.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C65 H70 Ga Li O10 -","- C65 H68 Ga Li O10 -","- C130 H136 Ga2 Li2 O20 -","2","1","","Shigeki Matsunaga; Jagattaran Das; Jochen Roels; Erasmus M. Vogl; Noriyoshi Yamamoto; Takehiko Iida; Kentaro Yamaguchi; Masakatsu Shibasaki","Catalytic Enantioselectivemeso-Epoxide Ring Opening Reaction with Phenolic Oxygen Nucleophile Promoted by Gallium Heterobimetallic Multifunctional Complexes","Journal of the American Chemical Society","2000","122","","2252","2260","10.1021/ja993650f","","","0.7107","MoKα","","0.0665","0.0665","","","0.0771","0.077","","","","","","2.842","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115950","11.325","0.001","20.915","0.002","19.786","0.001","90","","92.951","0.006","90","","4680.3","0.7","300","2","300","2","","","","","","","synthesis","7","P 1 21/n 1","-P 2yn","14","","","","- C41.125 H34.25 B Cl4.25 Co3 F4 N12 -","- C41.13 H32.26 B Cl4.26 Co3 F4 N12 -","- C164.52 H129.04 B4 Cl17.04 Co12 F16 N48 -","4","1","","Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Tongbu Lu; Carlos A. Murillo; Xiaoping Wang","A New Linear Tricobalt Compound with Di(2-pyridyl)amide (dpa) Ligands: Two-Step Spin Crossover of [Co3(dpa)4Cl2][BF4]","Journal of the American Chemical Society","2000","122","","2272","2278","10.1021/ja994051b","","","0.71073","MoKα","","0.0846","0.0666","","0.1715","0.1541","","","","1.054","1.093","1.093","","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115951","11.3249","0.0007","20.759","0.001","19.422","0.001","90","","93.061","0.001","90","","4559.5","0.4","100","2","113","2","","","","","","","synthesis","7","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H35 B Cl5 Co3 F4 N12 -","- C41.5 H32 B Cl5 Co3 F4 N12 -","- C166 H128 B4 Cl20 Co12 F16 N48 -","4","1","","Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Tongbu Lu; Carlos A. Murillo; Xiaoping Wang","A New Linear Tricobalt Compound with Di(2-pyridyl)amide (dpa) Ligands: Two-Step Spin Crossover of [Co3(dpa)4Cl2][BF4]","Journal of the American Chemical Society","2000","122","","2272","2278","10.1021/ja994051b","","","0.71073","MoKα","","0.0828","0.0609","","0.1484","0.1337","","","","1.107","1.248","1.248","","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4115952","11.3999","0.0007","20.913","0.001","19.752","0.001","90","","92.954","0.003","90","","4702.7","0.4","213","2","213","2","","","","","","","synthesis","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 B Cl6 Co3 F4 N12 -","- C42 H32 B Cl6 Co3 F4 N12 -","- C168 H128 B4 Cl24 Co12 F16 N48 -","4","1","","Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Tongbu Lu; Carlos A. Murillo; Xiaoping Wang","A New Linear Tricobalt Compound with Di(2-pyridyl)amide (dpa) Ligands: Two-Step Spin Crossover of [Co3(dpa)4Cl2][BF4]","Journal of the American Chemical Society","2000","122","","2272","2278","10.1021/ja994051b","","","0.71073","MoKα","","0.0695","0.0573","","0.1443","0.1317","","","","1.067","1.076","1.076","","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115953","8.358","0.002","17.716","0.003","20.249","0.003","90","","98.83","0.02","90","","2962.7","1","298.2","","298.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F12 Mn N3 O5 -","- C24 H18 F12 Mn N3 O5 -","- C96 H72 F48 Mn4 N12 O20 -","4","1","","Tetsuji Itoh; Kenji Matsuda; Hiizu Iwamura; Kenzi Hori","Tris[p-(N-oxyl-N-tert-butylamino)phenyl]amine, -methyl, and -borane Have Doublet, Triplet, and Doublet Ground States, Respectively","Journal of the American Chemical Society","2000","122","","2567","2576","10.1021/ja9920819","","","1.5418","CuKα","","0.0741","0.0741","","","0.0759","0.0759","","","","","","2.79","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115954","18.4189","0.001","18.4189","0.001","16.2309","0.0009","90","","90","","120","","4768.7","0.5","105","1","105","1","","","","","","","see text","7","P 3","P 3","143","","Λ‒Tris(2,2'-bibpyridyl)ruthenium(II)Δ‒Tris(2,2'-bibpyridyl)osmium(II) Tetra(hexafluorophosphate)","","- C180 H144 F72 N36 Os3 P12 Ru3 -","- C180 H144 F72 N36 Os3 P12 Ru3 -","- C180 H144 F72 N36 Os3 P12 Ru3 -","1","0.333333","","Josef Breu; Cornelius Kratzer; Hartmut Yersin","Crystal Engineering as a Tool for Directed Radiationless Energy Transfer in Layered {Λ-[Ru(bpy)3]Δ-[Os(bpy)3]}(PF6)4","Journal of the American Chemical Society","2000","122","","2548","2555","10.1021/ja993104m","","","0.71069","MoKα","","0.0299","0.0243","","","0.0503","0.0513","","","","","","0.947","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115955","10.7012","0.0005","10.7012","0.0005","16.349","0.001","90","","90","","120","","1621.39","0.15","203","","203","2","","","","","","","see text","7","P 3 2 1","P 3 2""","150","","Λambda‒Tris(2,2'-bibpyridyl)ruthenium(II) Δelta‒Tris(2,2'-bibpyridyl)osmium(II) Tetra(hexafluorophosphate)","","- C60 H48 F24 N12 Os P4 Ru -","- C60 H48 F24 N12 Os P4 Ru -","- C60 H48 F24 N12 Os P4 Ru -","1","0.166667","","Josef Breu; Cornelius Kratzer; Hartmut Yersin","Crystal Engineering as a Tool for Directed Radiationless Energy Transfer in Layered {Λ-[Ru(bpy)3]Δ-[Os(bpy)3]}(PF6)4","Journal of the American Chemical Society","2000","122","","2548","2555","10.1021/ja993104m","","","0.71069","MoKα","","0.0313","0.0252","","","0.047","0.048","","","","","","0.862","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115956","19.579","0.003","20.88","0.004","40.705","0.008","90","","103.673","0.009","90","","16169","5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C120 H124 N48 O36 Pd6 -","- C175 H124 N40 O12 Pd6 -","- C700 H496 N160 O48 Pd24 -","4","1","","Shu-Yan Yu; Takahiro Kusukawa; Kumar Biradha; Makoto Fujita","Hydrophobic Assembling of a Coordination Nanobowl into a Dimeric Capsule Which Can Accommodate up to Six Large Organic Molecules","Journal of the American Chemical Society","2000","122","","2665","2666","10.1021/ja994014k","","","0.71073","MoKα","","0.3558","0.1127","","","0.2368","0.3239","","","","","","1.025","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115957","20.182","0.007","36.508","0.013","25.441","0.009","90","","100.079","0.007","90","","18456","11","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C126 H132 N48 O36 Pd6 -","- C175 H132 N38 O6 Pd6 -","- C700 H528 N152 O24 Pd24 -","4","1","","Shu-Yan Yu; Takahiro Kusukawa; Kumar Biradha; Makoto Fujita","Hydrophobic Assembling of a Coordination Nanobowl into a Dimeric Capsule Which Can Accommodate up to Six Large Organic Molecules","Journal of the American Chemical Society","2000","122","","2665","2666","10.1021/ja994014k","","","0.71073","MoKα","","0.2554","0.1471","","","0.322","0.3508","","","","","","1.558","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115958","21.048","0.011","21.23","0.011","24.507","0.012","83.098","0.011","73.547","0.011","74.541","0.011","10111","9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H124 N48 O36 Pd6 -","- C157 N39 O19 Pd6 -","- C314 N78 O38 Pd12 -","2","1","","Shu-Yan Yu; Takahiro Kusukawa; Kumar Biradha; Makoto Fujita","Hydrophobic Assembling of a Coordination Nanobowl into a Dimeric Capsule Which Can Accommodate up to Six Large Organic Molecules","Journal of the American Chemical Society","2000","122","","2665","2666","10.1021/ja994014k","","","0.71073","MoKα","","0.2747","0.118","","","0.3124","0.3513","","","","","","1.374","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115959","9.7438","0.0003","16.3262","0.0006","12.3331","0.0004","90","","97.117","0.001","90","","1946.82","0.11","173","2","173","2","","","","","","","synthetic","7","P 1 21/n 1","-P 2yn","14","","","","- C6 H32 Co2 N6 O16 Re6 S8 -","- C6 Co2 N6 O16 Re6 S8 -","- C12 Co4 N12 O32 Re12 S16 -","2","0.5","","Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long","Cyano-Bridged Re~6~Q~8~ (Q = S, Se) Cluster-Cobalt(II) Framework Materials: Versatile Solid Chemical Sensors","Journal of the American Chemical Society","2000","122","","2763","2772","10.1021/ja994186h","","","0.71073","MoKα","","0.0433","0.0267","","0.0544","0.0514","","","","0.993","1.062","1.062","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115960","26.546","0.0011","27.3516","0.0009","18.2899","0.0008","90","","91.178","0.002","90","","13277","0.9","293","2","293","2","","","","","","","synthetic","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H120 Co6 N18 O60 Re18 Se24 -","- C18 Co6 N18 O60 Re18 Se24 -","- C72 Co24 N72 O240 Re72 Se96 -","4","0.5","","Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long","Cyano-Bridged Re~6~Q~8~ (Q = S, Se) Cluster-Cobalt(II) Framework Materials: Versatile Solid Chemical Sensors","Journal of the American Chemical Society","2000","122","","2763","2772","10.1021/ja994186h","","","0.71073","MoKα","","0.1746","0.0731","","0.1587","0.1237","","","","0.998","1.13","1.13","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115961","6.4383","0.001","10.498","0.002","19.571","0.003","90","","90","","90","","1322.8","0.4","150","","150","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 Cl2 O3 P -","- C11 H13 Cl2 O3 P -","- C44 H52 Cl8 O12 P4 -","4","1","","Ron Hulst; Johanna M. Visser; Robert W. J. Zijlstra; Huub Kooijman; Wilberth Smeets; Anthony L. Spek; Ben L. Feringa","Formation of Diphosphates. A NMR Study on the Mechanism and Stereochemistry of Diphosphate Formation from Chiral Dioxaphosphorinanes","Journal of the American Chemical Society","2000","122","","3135","3150","10.1021/ja992770k","","","0.71073","MoKα","","0.0241","0.0228","","","0.0582","0.059","","","","","","1.059","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115962","6.4799","0.001","17.165","0.002","17.189","0.002","90","","90","","90","","1911.9","0.4","295","","295","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 O4 P -","- C20 H25 O4 P -","- C80 H100 O16 P4 -","4","1","","Ron Hulst; Johanna M. Visser; Robert W. J. Zijlstra; Huub Kooijman; Wilberth Smeets; Anthony L. Spek; Ben L. Feringa","Formation of Diphosphates. A NMR Study on the Mechanism and Stereochemistry of Diphosphate Formation from Chiral Dioxaphosphorinanes","Journal of the American Chemical Society","2000","122","","3135","3150","10.1021/ja992770k","","","0.71073","MoKα","","0.1531","0.0511","","","0.0867","0.1001","","","","","","0.923","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115963","12.417","0.0012","12.417","0.0012","10.912","0.002","90","","90","","120","","1457","0.3","295","","295","","","","","","","","see text","5","P 31","P 31","144","","","","- C19 H24 N O3 P -","- C19 H24 N O3 P -","- C57 H72 N3 O9 P3 -","3","1","","Ron Hulst; Johanna M. Visser; Robert W. J. Zijlstra; Huub Kooijman; Wilberth Smeets; Anthony L. Spek; Ben L. Feringa","Formation of Diphosphates. A NMR Study on the Mechanism and Stereochemistry of Diphosphate Formation from Chiral Dioxaphosphorinanes","Journal of the American Chemical Society","2000","122","","3135","3150","10.1021/ja992770k","","","1.54184","CuKα","","0.0907","0.0631","","","0.152","0.1678","","","","","","0.983","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115964","11.6187","0.0007","12.1293","0.0008","13.932","0.0011","78.198","0.008","67.611","0.008","63.935","0.007","1629.1","0.2","293","","","","","","","","","","see text","5","P -1","-P 1","2","","","","- C34 H40 Lu N Si3 -","- C34 H40 Lu N Si3 -","- C68 H80 Lu2 N2 Si6 -","2","1","","Jörg Eppinger; Michael Spiegler; Wolfgang Hieringer; Wolfgang A. Herrmann; Reiner Anwander","C2-Symmetric ansa-Lanthanidocene Complexes. Synthesis via Silylamine Elimination and β-SiH Agostic Rigidity","Journal of the American Chemical Society","2000","122","","3080","3096","10.1021/ja992786a","","","0.71073","MoKα","","0.0459","0.0332","","","0.0744","0.0769","","","","","","0.916","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115965","9.529","0.001","11.145","0.001","13.573","0.001","79.68","0.01","83.26","0.01","77.61","0.01","1380.4","0.2","193","","193","","","","","","","","see text","5","P -1","-P 1","2","","","","- C24 H44 La N Si3 -","- C24 H44 La N Si3 -","- C48 H88 La2 N2 Si6 -","2","1","","Jörg Eppinger; Michael Spiegler; Wolfgang Hieringer; Wolfgang A. Herrmann; Reiner Anwander","C2-Symmetric ansa-Lanthanidocene Complexes. Synthesis via Silylamine Elimination and β-SiH Agostic Rigidity","Journal of the American Chemical Society","2000","122","","3080","3096","10.1021/ja992786a","","","0.71073","MoKα","","0.0291","0.0247","","","0.0594","0.0605","","","","","","1.037","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115966","15.11","0.004","11.731","0.002","15.699","0.005","90","","108.55","0.01","90","","2638.2","1.2","163","","163","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 N Si3 Y -","- C26 H36 N Si3 Y -","- C104 H144 N4 Si12 Y4 -","4","0.5","","Jörg Eppinger; Michael Spiegler; Wolfgang Hieringer; Wolfgang A. Herrmann; Reiner Anwander","C2-Symmetric ansa-Lanthanidocene Complexes. Synthesis via Silylamine Elimination and β-SiH Agostic Rigidity","Journal of the American Chemical Society","2000","122","","3080","3096","10.1021/ja992786a","","","0.71073","MoKα","","0.0318","0.0318","","0.0742","0.0742","","","","1.048","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115967","15.0153","0.0004","11.8938","0.0005","15.7695","0.0005","90","","108.145","0.002","90","","2676.21","0.16","273","","273","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 Lu N Si3 -","- C26 H36 Lu N Si3 -","- C104 H144 Lu4 N4 Si12 -","4","0.5","","Jörg Eppinger; Michael Spiegler; Wolfgang Hieringer; Wolfgang A. Herrmann; Reiner Anwander","C2-Symmetric ansa-Lanthanidocene Complexes. Synthesis via Silylamine Elimination and β-SiH Agostic Rigidity","Journal of the American Chemical Society","2000","122","","3080","3096","10.1021/ja992786a","","","0.71073","MoKα","","0.0223","0.0206","","","0.0469","0.0474","","","","","","1.094","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115968","11.1193","0.0006","11.9449","0.0005","14.8399","0.0008","72.396","0.005","75.824","0.006","69.896","0.005","1742.24","0.17","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C75 H88 N2 Si6 Y2 -","- C75 H88 N2 Si6 Y2 -","- C75 H88 N2 Si6 Y2 -","1","0.5","","Jörg Eppinger; Michael Spiegler; Wolfgang Hieringer; Wolfgang A. Herrmann; Reiner Anwander","C2-Symmetric ansa-Lanthanidocene Complexes. Synthesis via Silylamine Elimination and β-SiH Agostic Rigidity","Journal of the American Chemical Society","2000","122","","3080","3096","10.1021/ja992786a","","","0.71073","MoKα","","0.0358","0.0358","","0.0944","0.0944","","","","0.973","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115969","12.601","0.001","7.572","0.005","14.497","0.002","90","","102.83","0.03","90","","1348.7","0.9","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H28 Cl4 N4 O4 Pt -","- C22 H28 Cl4 N4 O4 Pt -","- C44 H56 Cl8 N8 O8 Pt2 -","2","0.5","","Gabriele Wagner; Armando J. L. Pombeiro; Vadim Yu. Kukushkin","Platinum(IV)-Assisted [2 + 3] Cycloaddition of Nitrones to Coordinated Organonitriles. Synthesis of Δ4-1,2,4-Oxadiazolines","Journal of the American Chemical Society","2000","122","","3106","3111","10.1021/ja993564f","","","0.71073","MoKα","","0.0288","0.0287","","","0.0755","0.0756","","","","","","1.155","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115970","11.4456","0.0002","18.5241","0.0002","14.3865","0.0002","90","","103.141","0.0008","90","","2970.35","0.07","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H48 Cl N O3 P4 Pd2 -","- C68 H48 Cl N O3 P4 Pd2 -","- C136 H96 Cl2 N2 O6 P8 Pd4 -","2","0.5","","Nicole L. Coalter; Thomas E. Concolino; William E. Streib; Chris G. Hughes; Arnold L. Rheingold; Jeffrey M. Zaleski","Structure and Thermal Reactivity of a Novel Pd(0) Metalloenediyne","Journal of the American Chemical Society","2000","122","","3112","3117","10.1021/ja9944094","","","0.71073","MoKα","","0.1338","0.1277","","","0.4027","0.4067","","","","","","3.54","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115971","18.158","0.003","9.0659","0.0013","9.6297","0.0011","90","","92.14","0.01","90","","1584.1","0.4","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","tetranaphthalene acetonitrile solvent","","- C42 H27 N -","- C42 H24 N -","- C84 H48 N2 -","2","0.5","","Andrzej Rajca; Andrej Safronov; Suchada Rajca; Jirawat Wongsriratanakul","D2-Symmetric Dimer of 1,1'-Binaphthyl and Its Chiral π-Conjugated Carbodianion","Journal of the American Chemical Society","2000","122","","3351","3357","10.1021/ja993286k","","","0.71073","MoKα","","0.0662","0.0456","","","0.1183","0.1318","","","","","","1.012","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115972","10.929","0.003","15.212","0.007","25.523","0.009","90","","101.033","0.013","90","","4165","3","263","2","263","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H45 Eu N16 O13 -","- C28 H45 Eu N16 O13 -","- C112 H180 Eu4 N64 O52 -","4","1","","Myrtil L. Kahn; Jean-Pascal Sutter; Stéphane Golhen; Philippe Guionneau; Lahcène Ouahab; Olivier Kahn; Daniel Chasseau","Systematic Investigation of the Nature of The Coupling between a Ln(III) Ion (Ln = Ce(III) to Dy(III)) and Its Aminoxyl Radical Ligands. Structural and Magnetic Characteristics of a Series of {Ln(organic radical)2} Compounds and the Related {Ln(Nitrone)2} Derivatives","Journal of the American Chemical Society","2000","122","","3413","3421","10.1021/ja994175o","","","0.71073","MoKα","","0.0728","0.0406","","","0.1055","0.133","","","","","","1.042","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115973","10.199","0.002","10.63","0.002","14.062","0.002","82.49","","69.36","","83.35","","1410.4","0.4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H32 N11 O11 Pr -","- C18 H32 N11 O11 Pr -","- C36 H64 N22 O22 Pr2 -","2","2","","Myrtil L. Kahn; Jean-Pascal Sutter; Stéphane Golhen; Philippe Guionneau; Lahcène Ouahab; Olivier Kahn; Daniel Chasseau","Systematic Investigation of the Nature of The Coupling between a Ln(III) Ion (Ln = Ce(III) to Dy(III)) and Its Aminoxyl Radical Ligands. Structural and Magnetic Characteristics of a Series of {Ln(organic radical)2} Compounds and the Related {Ln(Nitrone)2} Derivatives","Journal of the American Chemical Society","2000","122","","3413","3421","10.1021/ja994175o","","","0.71069","MoKα","","0.0986","0.03","","","0.0615","0.0725","","","","","","1.004","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115974","10.1856","0.001","12.0125","0.0008","13.0143","0.001","103.671","0.006","92.809","0.007","111.622","0.007","1422","0.2","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H42 O Si6 -","- C18 H42 O Si6 -","- C36 H84 O2 Si12 -","2","1","","Yoshio Kabe; Kenichi Ohkubo; Hitomi Ishikawa; Wataru Ando","1,4-Disila(Dewar-benzene) and 1,4-Disilabenzene: Valence Isomerization of Bis(alkylsilacyclopropenyl)s","Journal of the American Chemical Society","2000","122","","3775","3776","10.1021/ja9930061","","","0.7107","MoKα","","0.0567","0.057","","0.064","","0.064","","","3.282","","","3.28","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115975","17.7265","0.0013","10.5224","0.0006","15.627","0.002","90","","102.627","0.002","90","","2844.3","0.5","296.2","","296.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H42 Si6 -","- C18 H42 Si6 -","- C72 H168 Si24 -","4","1","","Yoshio Kabe; Kenichi Ohkubo; Hitomi Ishikawa; Wataru Ando","1,4-Disila(Dewar-benzene) and 1,4-Disilabenzene: Valence Isomerization of Bis(alkylsilacyclopropenyl)s","Journal of the American Chemical Society","2000","122","","3775","3776","10.1021/ja9930061","","","0.7107","MoKα","","0.072","0.072","","0.077","","0.077","","","3.766","","","3.77","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115976","11.7382","0.0005","9.7384","0.0004","18.6132","0.0008","90","","99.906","0.001","90","","2095.98","0.15","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 Fe3 N2 O9 P2 -","- C15 H8 Fe3 N2 O9 P2 -","- C60 H32 Fe12 N8 O36 P8 -","4","1","","Caryn C. Borg-Breen; Maria T. Bautista; Cynthia K. Schauer; Peter S. White","Synthesis of the Bifunctional Phosphinidene Cluster, Fe3(CO)9(μ3-PH)2, and a Systematic Study of the Reactivity of the Cluster-Bound P-H Functional Group","Journal of the American Chemical Society","2000","122","","3952","3962","10.1021/ja993811f","","","0.7093","MolybdenumKα","","0.027","0.023","","0.03","0.029","","","","","2.66","2.66","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115977","16.8779","0.0007","14.4419","0.0006","21.1256","0.0009","90","","107.633","0.001","90","","4907.4","0.4","193","","193","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H30 Au2 Fe3 O9 P4 S2 -","- C45 H30 Au2 Fe3 O9 P4 S2 -","- C180 H120 Au8 Fe12 O36 P16 S8 -","4","1","","Caryn C. Borg-Breen; Maria T. Bautista; Cynthia K. Schauer; Peter S. White","Synthesis of the Bifunctional Phosphinidene Cluster, Fe3(CO)9(μ3-PH)2, and a Systematic Study of the Reactivity of the Cluster-Bound P-H Functional Group","Journal of the American Chemical Society","2000","122","","3952","3962","10.1021/ja993811f","","","0.7093","MolybdenumKα","","0.026","0.022","","0.033","0.032","","","","","1.36","1.36","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115978","12.986","0.01","11.792","0.01","20.659","0.03","90","","100.896","0.0004","90","","3106","6","50","1","50","1","","","","","","","Synthesis","6","P 1 21/n 1","-P 2yn","14","Bis-(m-[tris(2-thio-3-trimethylsilylphenyl-1k2S;1:2k4S;2k2S)phosphine-1kP,2k P]-diiron","Bis-(m-[tris(2-thio-3-trimethylsilylphenyl-1k2S;1:2k4S;2k2S)phosphine-1kP,2k P]-diiron","","- C54 H72 Fe2 P2 S6 Si6 -","- C54 H72 Fe2 P2 S6 Si6 -","- C108 H144 Fe4 P4 S12 Si12 -","2","0.5","","Jodi D. Niemoth-Anderson; Kerry A. (Fusie) Clark; T. Adrian George; Charles R. Ross","Five-Coordinate Diamagnetic Iron(IV) Complexes With A Trigonal Planar Arrangement of Thiolate Ligand Atoms: Synthesis and Crystal Structure of [FeX(PS3)] (X = Cl, Br or I; PS3H3= [P(C'''6H3-3-Me3Si-2-SH)3])","Journal of the American Chemical Society","2000","122","","3977","3978","10.1021/ja993988+","","","0.5608","AgKα","","0.0784","0.0583","","0.0732","0.066","","","","","1.521","1.521","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115979","20.623","","20.623","","20.623","","90","","90","","90","","8771.13","","293","2","293","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","Bromo[tris(2-thio-3-trimethylsilylphenyl-kS)phosphine-kP]iron","Bromo[tris(2-thio-3-trimethylsilylphenyl-kS)phosphine-kP]iron","","- C37.25 H46.25 Br Fe P S3 Si3 -","- C37.2 H36 Br Fe P S3 Si3 -","- C297.6 H288 Br8 Fe8 P8 S24 Si24 -","8","0.166667","","Jodi D. Niemoth-Anderson; Kerry A. (Fusie) Clark; T. Adrian George; Charles R. Ross","Five-Coordinate Diamagnetic Iron(IV) Complexes With A Trigonal Planar Arrangement of Thiolate Ligand Atoms: Synthesis and Crystal Structure of [FeX(PS3)] (X = Cl, Br or I; PS3H3= [P(C'''6H3-3-Me3Si-2-SH)3])","Journal of the American Chemical Society","2000","122","","3977","3978","10.1021/ja993988+","","","0.71073","MoKα","","0.0673","0.0604","","","0.1528","0.1624","","","","","","1.115","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115980","31.317","0.006","16.919","0.003","21.301","0.004","90","","112.21","0.03","90","","10449","4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Iodo[tris(2-thio-3-trimethylsilylphenyl-kS)phosphine-kP]iron","Iodo[tris(2-thio-3-trimethylsilylphenyl-kS)phosphine-kP]iron","","- C90 H96 Cl12 Fe2 I2 P2 S6 Si6 -","- C84 H88 Cl10 Fe2 I2 P2 S6 Si6 -","- C336 H352 Cl40 Fe8 I8 P8 S24 Si24 -","4","0.5","","Jodi D. Niemoth-Anderson; Kerry A. (Fusie) Clark; T. Adrian George; Charles R. Ross","Five-Coordinate Diamagnetic Iron(IV) Complexes With A Trigonal Planar Arrangement of Thiolate Ligand Atoms: Synthesis and Crystal Structure of [FeX(PS3)] (X = Cl, Br or I; PS3H3= [P(C'''6H3-3-Me3Si-2-SH)3])","Journal of the American Chemical Society","2000","122","","3977","3978","10.1021/ja993988+","","","0.71073","MoKα","","0.0922","0.0709","","","0.1899","0.2083","","","","","","1.094","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115981","20.471","0.001","20.471","0.001","20.471","0.001","90","","90","","90","","8578.6","0.7","293","2","293","2","","","","","","","Synthesis","7","I -4 3 m","I -4 2 3","217","Chloro[tris(2-thio-3-trimethylsilylphenyl-kS)phosphine-kP]iron","Chloro[tris(2-thio-3-trimethylsilylphenyl-kS)phosphine-kP]iron","","- C27 H36 Cl Fe P S3 Si3 -","- C37.68 H36 Cl Fe P S3 Si3 -","- C301.44 H288 Cl8 Fe8 P8 S24 Si24 -","8","0.166667","","Jodi D. Niemoth-Anderson; Kerry A. (Fusie) Clark; T. Adrian George; Charles R. Ross","Five-Coordinate Diamagnetic Iron(IV) Complexes With A Trigonal Planar Arrangement of Thiolate Ligand Atoms: Synthesis and Crystal Structure of [FeX(PS3)] (X = Cl, Br or I; PS3H3= [P(C'''6H3-3-Me3Si-2-SH)3])","Journal of the American Chemical Society","2000","122","","3977","3978","10.1021/ja993988+","","","0.71073","MoKα","","0.0374","0.0336","","0.0924","0.09","","","","1.086","1.113","1.113","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115982","23.723","0.004","7.1323","0.0009","15.452","0.002","90","","90","","90","","2614.5","0.6","296","1","296","1","","","","","","","Synthesized in the laboratory of J. P. Selegue","6","P n a 21","P 2c -2n","33","","endo-pentahapto-pentamethylcyclopentadienyl-hexahapto-7bH- indeno[1,2,3-jk]fluoreneruthenium(II) trifluoromethanesulfonate","","- C30 H27 F3 O3 Ru S -","- C30 H27 F3 O3 Ru S -","- C120 H108 F12 O12 Ru4 S4 -","4","1","","Aibing Xia; John P. Selegue; Alberto Carrillo; Carolyn P. Brock","Stereochemical Inversion of a Coordinated, Curved Hydrocarbon: Syntheses and Structures of exo- and endo-[Ru(η6-fluoradene)(η-C5Me5)][CF3SO3]","Journal of the American Chemical Society","2000","122","","3973","3974","10.1021/ja994266l","","","0.71073","MoKα","","0.056","0.0317","","0.0862","0.0772","","","","1.085","1.102","1.102","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115983","7.3776","0.0006","23.7473","0.0017","15.4796","0.0013","90","","90.17","0.03","90","","2712","0.4","296","1","296","1","","","","","","","Synthesized in the laboratory of J. P. Selegue","6","C 1 c 1","C -2yc","9","","exo-pentahapto-pentamethylcyclopentadienyl-hexahapto-7bH- indeno[1,2,3-jk]fluoreneruthenium(II) trifluoromethanesulfonate","","- C30 H27 F3 O3 Ru S -","- C30 H27 F3 O3 Ru S -","- C120 H108 F12 O12 Ru4 S4 -","4","1","","Aibing Xia; John P. Selegue; Alberto Carrillo; Carolyn P. Brock","Stereochemical Inversion of a Coordinated, Curved Hydrocarbon: Syntheses and Structures of exo- and endo-[Ru(η6-fluoradene)(η-C5Me5)][CF3SO3]","Journal of the American Chemical Society","2000","122","","3973","3974","10.1021/ja994266l","","","0.71073","MoKα","","0.0419","0.0285","","0.0827","0.0681","","","","1.065","1.105","1.105","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115984","19.46","0.02","24.2","0.03","13.81","0.02","90","","121.17","0.13","90","","5565","14","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","{[Cd2(4-pytz)3(NO3)4(MeOH)0.5]}","3,6-bis(pyrid-4-yl)-1,2,4,5-tetrazine Cadmium Nitrate Dichloromethane Toluene Solvate","","- C22.33 H12.78 Cd Cl0.67 N11 O6.5 -","- C22.835 H12 Cd Cl0.66 N11 O6.5 -","- C182.68 H96 Cd8 Cl5.28 N88 O52 -","8","1","","Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Martin Schröder","Assembly of a Three-Dimensional Polyknotted Coordination Polymer","Journal of the American Chemical Society","2000","122","","4044","4046","10.1021/ja991698n","","","0.71073","MoKα","","0.1538","0.0971","","","0.2333","0.2977","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115985","19.835","0.007","23.936","0.005","13.841","0.006","90","","122.48","0.04","90","","5543","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","{[Cd2(4-pytz)3(NO3)3(OH)(MeOH)]}","3,6-bis(pyrid-4-yl)-1,2,4,5-tetrazine Cadmium Nitrate hydroxide Dichloromethane Toluene Methanol Solvate","","- C21.47 H12.88 Cd Cl0.5 N10.5 O5.83 -","- C21.39 H12 Cd Cl0.5 N10.5 O5.82 -","- C171.12 H96 Cd8 Cl4 N84 O46.56 -","8","1","","Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Martin Schröder","Assembly of a Three-Dimensional Polyknotted Coordination Polymer","Journal of the American Chemical Society","2000","122","","4044","4046","10.1021/ja991698n","","","0.71073","MoKα","","0.0948","0.0668","","","0.1706","0.1946","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115986","27.314","0.006","15.701","0.004","15.514","0.005","90","","116.7","0.02","90","","5944","3","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tris(3,6-bis(pyridin-4-yl)-1,2,4,5-tetrazine)dicadmium(II) nitrate diethylether adduct (1/1)","","- C20 H17 Cd N11 O6.5 -","- C20 H12 Cd N11 O6.5 -","- C160 H96 Cd8 N88 O52 -","8","1","","Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Martin Schröder","Assembly of a Three-Dimensional Polyknotted Coordination Polymer","Journal of the American Chemical Society","2000","122","","4044","4046","10.1021/ja991698n","","","0.71069","MoKα","","0.0984","0.0854","","0.1078","0.0925","","","","1.0844","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115987","7.887","0.001","11.114","0.002","35.472","0.005","90","","94.68","0.01","90","","3099","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(tetrahydofuran)(iodo)(2,6-(diphenyl)phenyl)ytterbium(II) hemi tetrahydrofuran solvate","","- C32 H41 I O3.5 Yb -","- C32 H41 I O3.5 Yb -","- C128 H164 I4 O14 Yb4 -","4","1","","Gernot Heckmann; Mark Niemeyer","Synthesis and First Structural Characterization of Lanthanide(II) Aryls: Observation of a Schlenk Equilibrium in Europium(II) and Ytterbium(II) Chemistry","Journal of the American Chemical Society","2000","122","","4227","4228","10.1021/ja993494c","","","0.71073","MoKα","","0.056","0.0378","","","0.0842","0.0917","","","","","","1.243","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115988","9.607","0.004","11.65","0.004","19.47","0.007","102.788","0.019","91.34","0.019","113.65","0.02","1931.2","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Bis(tetrahydofuran)(Bis)(2,6-(diphenyl)phenyl)europium(II) tetrahydrofuran solvate","","- C48 H50 Eu O3 -","- C48 H50 Eu O3 -","- C96 H100 Eu2 O6 -","2","1","","Gernot Heckmann; Mark Niemeyer","Synthesis and First Structural Characterization of Lanthanide(II) Aryls: Observation of a Schlenk Equilibrium in Europium(II) and Ytterbium(II) Chemistry","Journal of the American Chemical Society","2000","122","","4227","4228","10.1021/ja993494c","","","0.71073","MoKα","","0.0551","0.0394","","","0.088","0.091","","","","","","0.924","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115989","23.163","0.006","26.096","0.005","23.981","0.006","90","","111.093","0.019","90","","13524","6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Pentakis(tetrahydofuran)diiodoeuropium(II)","","- C80 H160 Eu4 I8 O20 -","- C80 H160 Eu4 I8 O20 -","- C320 H640 Eu16 I32 O80 -","4","1","","Gernot Heckmann; Mark Niemeyer","Synthesis and First Structural Characterization of Lanthanide(II) Aryls: Observation of a Schlenk Equilibrium in Europium(II) and Ytterbium(II) Chemistry","Journal of the American Chemical Society","2000","122","","4227","4228","10.1021/ja993494c","","","0.71073","MoKα","","0.1501","0.0746","","","0.1627","0.1986","","","","","","0.981","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115990","11.455","0.002","13.859","0.003","14.101","0.004","98.5","0.02","98.87","0.01","92.52","0.02","2182.4","0.9","289","2","289","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H51 N6 Nd O15 -","- C36 H51 N6 Nd O15 -","- C72 H102 N12 Nd2 O30 -","2","1","","Koen Binnemans; Yury G. Galyametdinov; Rik Van Deun; Duncan W. Bruce; Simon R. Collinson; Arkadiy P. Polishchuk; Ildar Bikchantaev; Wolfgang Haase; Andrey V. Prosvirin; Larisa Tinchurina; Igor Litvinov; Ajdar Gubajdullin; Ajdar Rakhmatullin; Koen Uytterhoeven; Luc Van Meervelt","Rare-Earth-Containing Magnetic Liquid Crystals","Journal of the American Chemical Society","2000","122","","4335","4344","10.1021/ja993351q","","","0.71073","MoKα","","0.0467","0.0376","","","0.0911","0.0971","","","","","","1.039","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115991","11.38","0.001","13.8","0.005","14.03","0.005","98.7","0.03","98.15","0.02","92.67","0.02","2150.8","1.1","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H51 Dy N6 O15 -","- C36 H51 Dy N6 O15 -","- C72 H102 Dy2 N12 O30 -","2","1","","Koen Binnemans; Yury G. Galyametdinov; Rik Van Deun; Duncan W. Bruce; Simon R. Collinson; Arkadiy P. Polishchuk; Ildar Bikchantaev; Wolfgang Haase; Andrey V. Prosvirin; Larisa Tinchurina; Igor Litvinov; Ajdar Gubajdullin; Ajdar Rakhmatullin; Koen Uytterhoeven; Luc Van Meervelt","Rare-Earth-Containing Magnetic Liquid Crystals","Journal of the American Chemical Society","2000","122","","4335","4344","10.1021/ja993351q","","","0.71073","MoKα","","","0.025","","","0.03","","","","","0.995","0.995","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115992","7.1731","0.0009","11.566","0.001","13.807","0.002","70.627","0.002","84.071","0.002","81.72","0.002","1067.5","0.2","110","","110","","","","","","","","","5","P -1","-P 1","2","[Nitrilotri(methylphosphonic acid)*1,7-Phenanthroline]*2H2O","","","- C15 H24 N3 O11 P3 -","- C15 H24 N3 O11 P3 -","- C30 H48 N6 O22 P6 -","2","1","","C. V. Krishnamohan Sharma; Abraham Clearfield","Three-Dimensional Hexagonal Structures from a Novel Self-Complementary Molecular Building Block","Journal of the American Chemical Society","2000","122","","4394","4402","10.1021/ja9935512","","","0.71073","MoKα","","0.0743","0.0441","","","0.0961","0.1052","","","","","","0.913","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115993","8.1519","0.0005","11.255","0.0007","11.3742","0.0007","72.239","0.001","74.563","0.001","85.809","0.001","957.95","0.1","110","","123","2","","","","","","","","5","P -1","-P 1","2","[Nitrilotri(methylphosphonic acid)*1,10-Phenanthroline]","","","- C15 H20 N3 O9 P3 -","- C15 H20 N3 O9 P3 -","- C30 H40 N6 O18 P6 -","2","1","","C. V. Krishnamohan Sharma; Abraham Clearfield","Three-Dimensional Hexagonal Structures from a Novel Self-Complementary Molecular Building Block","Journal of the American Chemical Society","2000","122","","4394","4402","10.1021/ja9935512","","","0.71073","MoKα","","0.0578","0.0527","","","0.1387","0.1454","","","","","","1.116","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115994","7.4491","0.0004","13.7121","0.0008","15.1279","0.0009","86.543","0.001","89.146","0.001","76.255","0.001","1498.22","0.15","110","","110","","","","","","","","","5","P -1","-P 1","2","[Nitrilotri(methylphosphonic acid)*1,7-Phenanthroline]*3H2O","","","- C27 H34 N5 O12 P3 -","- C27 H34 N5 O12 P3 -","- C54 H68 N10 O24 P6 -","2","1","","C. V. Krishnamohan Sharma; Abraham Clearfield","Three-Dimensional Hexagonal Structures from a Novel Self-Complementary Molecular Building Block","Journal of the American Chemical Society","2000","122","","4394","4402","10.1021/ja9935512","","","0.71073","MoKα","","0.04","0.0352","","","0.1017","0.1054","","","","","","1.042","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115995","20.049","0.006","13.635","0.003","20.125","0.006","90","","90","","90","","5502","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl2 N O P2 Tc -","- C28 H28 Cl2 N O P2 Tc -","- C224 H224 Cl16 N8 O8 P16 Tc8 -","8","1","","Cristina Bolzati; Alessandra Boschi; Adriano Duatti; Sushumna Prakash; Licia Uccelli; Fiorenzo Refosco; Francesco Tisato; Giuliano Bandoli","Geometrically Controlled Selective Formation of Nitrido Technetium(V) Asymmetrical Heterocomplexes with Bidentate Ligands","Journal of the American Chemical Society","2000","122","","4510","4511","10.1021/ja993834u","","","0.71073","MoKα","","0.0774","0.0452","","0.1145","0.0976","","","","1.036","1.071","1.071","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115996","13.01","0.002","10.853","0.001","23.692","0.004","90","","90","","90","","3345.3","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H24 Cl2 Fe N5 O5 -","- C10 H24 Cl2 Fe N5 O5 -","- C80 H192 Cl16 Fe8 N40 O40 -","8","1","","Christina Hauser; Thorsten Glaser; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","The Electronic Structures of an Isostructural Series of Octahedral Nitrosyliron Complexes {Fe-NO}6,7,8 Elucidated by Mössbauer Spectroscopy","Journal of the American Chemical Society","2000","122","","4352","4365","10.1021/ja994161i","","","0.71073","MoKα","","0.079","0.0536","","0.1242","0.1127","","","","1.047","1.108","1.108","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115997","13.45","0.002","8.1261","0.0008","13.478","0.002","90","","109.43","0.02","90","","1389.2","0.4","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C6 H15 Cl Fe N6 O9 -","- C6 H15 Cl Fe N6 O9 -","- C24 H60 Cl4 Fe4 N24 O36 -","4","2","","Christina Hauser; Thorsten Glaser; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","The Electronic Structures of an Isostructural Series of Octahedral Nitrosyliron Complexes {Fe-NO}6,7,8 Elucidated by Mössbauer Spectroscopy","Journal of the American Chemical Society","2000","122","","4352","4365","10.1021/ja994161i","","","0.71073","MoKα","","0.0746","0.0462","","0.1207","0.108","","","","0.991","1.132","1.132","","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115998","11.986","0.001","11.9379","0.0005","19.3898","0.0007","90","","98.802","0.001","90","","2741.8","0.3","273.2","","273.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H40 O6 -","- C31 H40 O6 -","- C124 H160 O24 -","4","2","","Yoshihiko Yamamoto; Hideaki Kitahara; Ryuji Ogawa; Hiroyuki Kawaguchi; Kazuyuki Tatsumi; Kenji Itoh","Ru(II)-Catalyzed Cycloadditions of 1,6-Heptadiynes with Alkenes: New Synthetic Potential of Ruthenacyclopentatrienes as Biscarbenoids in Tandem Cyclopropanation of Bicycloalkenes and Heteroatom-Assisted Cyclocotrimerization of 1,6-Heptadiynes with Heterocyclic Alkenes","Journal of the American Chemical Society","2000","122","","4310","4319","10.1021/ja9942890","","","0.7107","MoKα","","0.074","0.0536","","","0.0533","0.0545","","","","","","1.879","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115999","7.912","0.001","16.578","0.003","7.7275","0.0002","90","","120.253","0.0006","90","","875.54","0.19","273.2","","273.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O8 -","- C19 H20 O8 -","- C38 H40 O16 -","2","1","","Yoshihiko Yamamoto; Hideaki Kitahara; Ryuji Ogawa; Hiroyuki Kawaguchi; Kazuyuki Tatsumi; Kenji Itoh","Ru(II)-Catalyzed Cycloadditions of 1,6-Heptadiynes with Alkenes: New Synthetic Potential of Ruthenacyclopentatrienes as Biscarbenoids in Tandem Cyclopropanation of Bicycloalkenes and Heteroatom-Assisted Cyclocotrimerization of 1,6-Heptadiynes with Heterocyclic Alkenes","Journal of the American Chemical Society","2000","122","","4310","4319","10.1021/ja9942890","","","0.7107","MoKα","","0.0504","0.0464","","","0.0625","0.063","","","","","","2.425","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116000","5.8709","0.0008","9.8771","0.0008","10.491","0.003","90","","104.408","0.007","90","","589.21","0.19","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","O-Trifluorosilyl-N,N-dimethylhydroxylamine","","- C2 H6 F3 N O Si -","- C2 H6 F3 N O Si -","- C8 H24 F12 N4 O4 Si4 -","4","1","","Norbert W. Mitzel; Udo Losehand; Anan Wu; Dieter Cremer; David W. H. Rankin","(N,N-Dimethylaminoxy)trifluorosilane: Strong, Dipole Moment Driven Changes in the Molecular Geometry Studied by Experiment and Theory in Solid, Gas, and Solution Phases","Journal of the American Chemical Society","2000","122","","4471","4482","10.1021/ja994542w","","","0.71073","MoKα","","0.0847","0.0466","","","0.121","0.1382","","","","","","1.021","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116001","24.7269","0.0014","24.7269","0.0014","24.7269","0.0014","90","","90","","90","","15118.5","1.5","293","2","293","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","C168 H144 Cl12 N48 Ni6 S12 24DMF 13H2O","","","- C240 H338 Cl12 N72 Ni6 O37 S24 -","- C206.4 H144 Cl12 N68 Ni6 O12.52 S24 -","- C412.8 H288 Cl24 N136 Ni12 O25.04 S48 -","2","0.0416667","","Maochun Hong; Yingjun Zhao; Weiping Su; Rong Cao; Makoto Fujita; Zhongyuan Zhou; Albert S. C. Chan","A Nanometer-Sized Metallosupramolecular Cube with Oh Symmetry","Journal of the American Chemical Society","2000","122","","4819","4820","10.1021/ja000247w","","","0.71073","MoKα","","0.1633","0.0778","","","0.1941","0.2932","","","","","","0.891","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116002","11.9775","0.0004","22.9899","0.0006","9.9059","0.0004","95.675","0.002","107.604","0.0007","76.798","0.002","2529.94","0.15","93.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C45 H80 Si7 -","- C45 H80 Si7 -","- C90 H160 Si14 -","2","1","","Ken Hatano; Norihiro Tokitoh; Nozomi Takagi; Shigeru Nagase","The First Stable Heteracyclopropabenzene: Synthesis and Crystal Structure of a Silacyclopropabenzene","Journal of the American Chemical Society","2000","122","","4829","4830","10.1021/ja000501k","","","0.7107","MoKα","","","0.053","","","","0.1507","","","","","","0.983","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116003","15.703","0.01","6.639","0.003","42.24","0.03","90","","100.25","0.04","90","","4333","5","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3R,6S,7R,10S,11R,14S,15R,18S,19R,22S)-2,23-bis(4'-bromobenzoyloxy)-2,6,10,1 5,19,23-hexamethyl-3,7,11,15,19-penta(oxacyclopentyl)tetracosane","","- C44 H58 Br2 O9 -","- C44 H58 Br2 O9 -","- C176 H232 Br8 O36 -","4","1","","Zhaoming Xiong; E. J. Corey","Simple Total Synthesis of the Pentacyclic Cs-Symmetric Structure Attributed to the Squalenoid Glabrescol and Three Cs-Symmetric Diastereomers Compel Structural Revision","Journal of the American Chemical Society","2000","122","","4831","4832","10.1021/ja000842y","","","0.71073","MoKα","","0.3532","0.1159","","","0.1908","0.2851","","","","","","0.979","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116004","14.95","0.002","22.361","0.002","9.6966","0.0003","90","","104.854","0.005","90","","3133.2","0.5","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[FE(II)(OEP)(NO)]","NITROSYL-IRON(II)-2,3,7,8,12,13,17,18-OCTAETHYLPORPHYRIN","","- C36 H44 Fe N5 O -","- C36 H44 Fe N5 O -","- C144 H176 Fe4 N20 O4 -","4","1","","W. Robert Scheidt; Hugues F. Duval; Teresa J. Neal; Mary K. Ellison","Intrinsic Structural Distortions in Five-Coordinate (Nitrosyl)iron(II) Porphyrinate Derivatives","Journal of the American Chemical Society","2000","122","","4651","4659","10.1021/ja993995y","","","0.71073","MoKα","","0.0523","0.0421","","0.1561","0.1515","","","","1.283","1.332","1.332","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116005","10.4204","0.0001","10.5562","0.0007","14.0425","0.0007","79.83","0.005","89.585","0.004","80.264","0.004","1498.1","0.13","130","2","130","2","","","","","","","","5","P -1","-P 1","2","[FE(II)(OEP)(NO)]","NITROSYL-IRON(II)-2,3,7,8,12,13,17,18-OCTAETHYLPORPHYRIN","","- C36 H44 Fe N5 O -","- C36 H44 Fe N5 O -","- C72 H88 Fe2 N10 O2 -","2","1","","W. Robert Scheidt; Hugues F. Duval; Teresa J. Neal; Mary K. Ellison","Intrinsic Structural Distortions in Five-Coordinate (Nitrosyl)iron(II) Porphyrinate Derivatives","Journal of the American Chemical Society","2000","122","","4651","4659","10.1021/ja993995y","","","0.71073","MoKα","","0.0535","0.0412","","0.1128","0.1059","","","","1.024","1.057","1.057","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116006","8.8435","0.0006","14.1716","0.0013","15.6651","0.0018","69.946","0.012","83.063","0.007","86.647","0.011","1830.4","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","[Fe(oxoOEC)(NO)]","NITROSYL-IRON(II)-3,3,7,8,12,13,17,18-OCTAETHYL-3(H)-PORPHIN-2-ONATO(2-)","","- C37 H45 Cl3 Fe N5 O2 -","- C37 H45 Cl3 Fe N5 O2 -","- C74 H90 Cl6 Fe2 N10 O4 -","2","1","","W. Robert Scheidt; Hugues F. Duval; Teresa J. Neal; Mary K. Ellison","Intrinsic Structural Distortions in Five-Coordinate (Nitrosyl)iron(II) Porphyrinate Derivatives","Journal of the American Chemical Society","2000","122","","4651","4659","10.1021/ja993995y","","","0.71073","MoKα","","0.1082","0.0781","","","0.2082","0.2351","","","","","","1.062","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116007","16.75","0.003","15.293","0.003","17.608","0.004","90","","107.77","0.03","90","","4295.2","1.7","130","2","130","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","[Fe(TPPBr4)(NO)]","Nitrosyl-iron(II)-2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin","","- C45.5 H24 Br4 Cl4.5 Fe N5 O -","- C45.5 H24 Br4 Cl4.5 Fe N5 O -","- C182 H96 Br16 Cl18 Fe4 N20 O4 -","4","1","","W. Robert Scheidt; Hugues F. Duval; Teresa J. Neal; Mary K. Ellison","Intrinsic Structural Distortions in Five-Coordinate (Nitrosyl)iron(II) Porphyrinate Derivatives","Journal of the American Chemical Society","2000","122","","4651","4659","10.1021/ja993995y","","","0.71073","MoKα","","0.1204","0.0755","","","0.1878","0.2321","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116008","17.623","0.004","10.522","0.002","19.457","0.004","90","","90.78","0.03","90","","3607.6","1.3","295","2","295","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","[FE(II)(TPPBr4)(NO)]","Nitrosyl-iron(II)-2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin","","- C44 H24 Br4 Fe N5 O -","- C44 H24 Br4 Fe N5 O -","- C176 H96 Br16 Fe4 N20 O4 -","4","0.5","","W. Robert Scheidt; Hugues F. Duval; Teresa J. Neal; Mary K. Ellison","Intrinsic Structural Distortions in Five-Coordinate (Nitrosyl)iron(II) Porphyrinate Derivatives","Journal of the American Chemical Society","2000","122","","4651","4659","10.1021/ja993995y","","","0.71073","MoKα","","0.1474","0.0982","","","0.2538","0.3373","","","","","","1.054","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116009","13.7989","0.0011","13.8385","0.0009","13.959","0.002","103.581","0.01","97.433","0.009","106.352","0.006","2431","0.5","158","2","158","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H38 B11 Cl6 Fe N4 O2 -","- C45 H37.882 B11 Cl5.41 Fe N4 O2 -","- C90 H75.764 B22 Cl10.82 Fe2 N8 O4 -","2","1","","Daniel R. Evans; Christopher A. Reed","Reversal of H2O and OH-Ligand Field Strength on the Magnetochemical Series Relative to the Spectrochemical Series. Novel 1-equiv Water Chemistry of Iron(III) Tetraphenylporphyrin Complexes","Journal of the American Chemical Society","2000","122","","4660","4667","10.1021/ja994478i","","","1.54178","CuKα","","0.0689","0.0606","","","0.1566","0.1604","","","","","","1.082","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116010","12.378","0.004","16.097","0.008","24.458","0.003","90","","97.94","0.02","90","","4827","3","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ferric Tetraphenylporphryin Hexabromocarborane","","","- C45 H34 B11 Br6 Fe N4 -","- C45 H34 B11 Br6 Fe N4 -","- C180 H136 B44 Br24 Fe4 N16 -","4","1","","Daniel R. Evans; Christopher A. Reed","Reversal of H2O and OH-Ligand Field Strength on the Magnetochemical Series Relative to the Spectrochemical Series. Novel 1-equiv Water Chemistry of Iron(III) Tetraphenylporphyrin Complexes","Journal of the American Chemical Society","2000","122","","4660","4667","10.1021/ja994478i","","","1.54178","CuKα","","0.1013","0.0757","","0.2113","0.1904","","","","1.374","1.466","1.466","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116011","14.9525","0.0014","14.1601","0.0014","16.0276","0.0016","90","","103.55","0.002","90","","3299.1","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,2-bis(2-methyl-5-(4-(tert-butyl)phenyl)-3-thienyl)perfluorocyclopentene","5-(4-(tert-butyl)phenyl)-3-(2-(5-(4-(tert-butyl)phenyl)-2-methyl(3-thienyl)) -3,3,4,4,5,5-hexafluorocyclopent-1-enyl)-2-methylthiophene","","- C35 H34 F6 S2 -","- C35 H34 F6 S2 -","- C140 H136 F24 S8 -","4","1","","Masahiro Irie; Thorsten Lifka; Seiya Kobatake; Nobuo Kato","Photochromism of 1,2-Bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene in a Single-Crystalline Phase","Journal of the American Chemical Society","2000","122","","4871","4876","10.1021/ja993181h","","","0.71073","MoKα","","0.0822","0.0655","","","0.1854","0.2017","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116012","18.786","0.002","11.7616","0.0014","21.675","0.003","90","","96.323","0.002","90","","4760","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,2-bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene","3-(3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenyl(3-thienyl))cyclopent-1- enyl)-2-methyl-5-phenylthiophene","","- C27 H18 F6 S2 -","- C27 H18 F6 S2 -","- C216 H144 F48 S16 -","8","2","","Masahiro Irie; Thorsten Lifka; Seiya Kobatake; Nobuo Kato","Photochromism of 1,2-Bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene in a Single-Crystalline Phase","Journal of the American Chemical Society","2000","122","","4871","4876","10.1021/ja993181h","","","0.71073","MoKα","","0.0806","0.0485","","","0.1328","0.1516","","","","","","1.023","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116013","11.77","0.004","12.023","0.005","9.626","0.003","94.45","0.03","95.89","0.03","60.07","0.03","1173.7","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4,4,5,5,6,6-Hexafluoro-9α,9β- dimethyl-2,8-diphenyl-5,6,9a,9b-tetrahydro- 4H-cyclopenta[e]benzo[2,1-b:3,4-b']dithiophene","","- C27 H18 F6 S2 -","- C27 H18 F6 S2 -","- C54 H36 F12 S4 -","2","1","","Masahiro Irie; Thorsten Lifka; Seiya Kobatake; Nobuo Kato","Photochromism of 1,2-Bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene in a Single-Crystalline Phase","Journal of the American Chemical Society","2000","122","","4871","4876","10.1021/ja993181h","","","1.54184","MoKα","","0.0905","0.0504","","0.1538","0.1263","","","","1.065","1.112","1.112","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116014","25.978","0.004","9.2508","0.0015","10.7141","0.0018","90","","102.708","0.003","90","","2511.7","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,2-bis(2-methyl-5-tolyl-3-thienyl)perfluorocyclopentene","3-(3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-(4-methylphenyl)(3-thienyl))cyclopent- 1-enyl)-2-methyl-5-(4-methylphenyl)thiophene","","- C29 H22 F6 S2 -","- C29 H22 F6 S2 -","- C116 H88 F24 S8 -","4","0.5","","Masahiro Irie; Thorsten Lifka; Seiya Kobatake; Nobuo Kato","Photochromism of 1,2-Bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene in a Single-Crystalline Phase","Journal of the American Chemical Society","2000","122","","4871","4876","10.1021/ja993181h","","","0.71073","MoKα","","0.0668","0.0504","","","0.1365","0.1492","","","","","","1.033","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116015","14.639","0.005","14.886","0.005","19.796","0.005","87.55","0.005","70.66","0.005","89.361","0.005","4067","2","293","2","188","2","","","","","","","","8","P -1","-P 1","2","[Fe2(m-O2CArTol)4(py)2](OTf)","","","- C96 H78 Cl2 F3 Fe2 N2 O11 S -","- C96 H78 Cl1.982 F3 Fe2 N2 O11 S -","- C192 H156 Cl3.964 F6 Fe4 N4 O22 S2 -","2","1","","Dongwhan Lee; Carsten Krebs; Boi Hanh Huynh; Michael P. Hendrich; Stephen J. Lippard","Valence-Delocalized Diiron(II,III) Cores Supported by Carboxylate-Only Bridging Ligands","Journal of the American Chemical Society","2000","122","","5000","5001","10.1021/ja994448f","","","0.71069","MoKα","","0.1203","0.0588","","","0.1285","0.1443","","","","","","0.906","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116016","15.454","0.005","17.759","0.005","19.679","0.005","69.225","0.005","81.798","0.005","70.115","0.005","4747","2","293","2","188","2","","","","","","","","7","P -1","-P 1","2","[Fe2(m-O2CArTol)4(THF)2](PF6)","","","- C110 H91 Cl3 F6 Fe2 O10 P -","- C110 H91 Cl3 F6 Fe2 O10 P -","- C220 H182 Cl6 F12 Fe4 O20 P2 -","2","1","","Dongwhan Lee; Carsten Krebs; Boi Hanh Huynh; Michael P. Hendrich; Stephen J. Lippard","Valence-Delocalized Diiron(II,III) Cores Supported by Carboxylate-Only Bridging Ligands","Journal of the American Chemical Society","2000","122","","5000","5001","10.1021/ja994448f","","","0.71069","MoKα","","0.0843","0.0572","","","0.1447","0.1555","","","","","","1.057","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116017","8.4433","0.0006","10.2522","0.0008","13.1711","0.001","108.578","0.001","97.064","0.001","89.743","0.001","1071.78","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Alq3 - beta","","","- C27 H18 Al N3 O3 -","- C27 H18 Al N3 O3 -","- C54 H36 Al2 N6 O6 -","2","1","","Martin Brinkmann; Gregory Gadret; Michele Muccini; Carlo Taliani; Norberto Masciocchi; Angelo Sironi","Correlation between Molecular Packing and Optical Properties in Different Crystalline Polymorphs and Amorphous Thin Films of mer-Tris(8-hydroxyquinoline)aluminum(III)","Journal of the American Chemical Society","2000","122","","5147","5157","10.1021/ja993608k","","","0.71073","MoKα","","0.1243","0.0594","","","0.1033","0.1209","","","","","","0.985","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116018","7.1808","0.0007","8.317","0.001","12.725","0.002","93.87","0.01","98.78","0.01","105.75","0.01","718.11","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","fac-trichloro{1C,N-(1'-ethanone, 1'-phenylato, oxime)} (S-methylthiomethane)platinum(IV)","","","- C10 H14 Cl3 N O Pt S -","- C10 Cl3 N O Pt S -","- C20 Cl6 N2 O2 Pt2 S2 -","2","1","","Larissa Alexandrova; Oleg G. D'yachenko; Grigory M. Kazankov; Vladimir A. Polyakov; Pavel V. Samuleev; Enrique Sansores; Alexander D. Ryabov","Mechanism of Biologically Relevant Deoxygenation of Dimethyl Sulfoxide Coupled with Pt(II) to Pt(IV) Oxidation of Orthoplatinated Oximes. Synthetic, Kinetic, Electrochemical, X-ray Structural, and Density Functional Study","Journal of the American Chemical Society","2000","122","","5189","5200","10.1021/ja994342k","","","0.71069","MoKα","","0.0371","0.0355","","","0.0389","0.0389","","","","","","0.963","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116019","13.888","0.002","15.866","0.002","17.869","0.002","77.632","0.002","73.91","0.002","77.116","0.002","3638.8","0.8","173.2","","173.2","","","","","","","","","4","P -1","-P 1","2","","","","- C80 H86 N4 O17 -","- C80 H86 N4 O17 -","- C160 H172 N8 O34 -","2","1","","Yukitami Mizuno; Takuzo Aida; Kentaro Yamaguchi","Chirality-Memory Molecule: Crystallographic and Spectroscopic Studies on Dynamic Molecular Recognition Events by Fully Substituted Chiral Porphyrins","Journal of the American Chemical Society","2000","122","","5278","5285","10.1021/ja000052o","","","0.7107","MoKα","","0.0663","0.066","","0.086","","0.086","","","1.969","","","1.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116020","10.6688","0.0002","15.2337","0.0003","42.5078","0.0006","90","","90","","90","","6908.6","0.2","213","2","213","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H49 F3 N3 O3 P S -","- C30 H49 F3 N3 O3 P S -","- C240 H392 F24 N24 O24 P8 S8 -","8","1","","Neil Burford; T. Stanley Cameron; Daren J. LeBlanc; Andrew D. Phillips; Thomas E. Concolino; Kin-Chung Lam; Arnold L. Rheingold","Iminophosphide Bonding Environments from Carbene Complexes of Iminophosphines","Journal of the American Chemical Society","2000","122","","5413","5414","10.1021/ja000432+","","","0.71073","MoKα","","0.136","0.0892","","","0.1502","0.1699","","","","","","1.215","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116021","21.8062","0.0003","8.5184","0.0001","17.8511","0.0002","90","","110.892","0.001","90","","3097.91","0.07","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H49 Cl N3 P -","- C29 H49 Cl N3 P -","- C116 H196 Cl4 N12 P4 -","4","1","","Neil Burford; T. Stanley Cameron; Daren J. LeBlanc; Andrew D. Phillips; Thomas E. Concolino; Kin-Chung Lam; Arnold L. Rheingold","Iminophosphide Bonding Environments from Carbene Complexes of Iminophosphines","Journal of the American Chemical Society","2000","122","","5413","5414","10.1021/ja000432+","","","0.71073","MoKα","","0.1075","0.085","","","0.2371","0.2753","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116022","19.588","0.002","12.1805","0.0015","19.823","0.003","90.025","0.015","98.066","0.015","89.96","0.015","4682.8","1","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H80 P4 Ru2 Si -","- C18 H40 P2 Ru Si0.5 -","- C144 H320 P16 Ru8 Si4 -","8","1","","Isabelle Atheaux; Bruno Donnadieu; V. Rodriguez; Sylviane Sabo-Etienne; Bruno Chaudret; Khansaa Hussein; Jean-Claude Barthelat","A Unique Coordination of SiH4: Isolation, Characterization, and Theoretical Study of (PR3)2H2Ru(SiH4)RuH2(PR3)2","Journal of the American Chemical Society","2000","122","","5664","5665","10.1021/ja000223p","","","0.71073","MoKα","","0.0281","0.0225","","","0.0587","0.0608","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116023","10.0439","0.0006","10.7647","0.0007","35.262","0.002","90","","90","","90","","3812.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O -","- C24 H25 N O -","- C192 H200 N8 O8 -","8","2","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.1214","0.0592","","","0.1123","0.1366","","","","","","1.03","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116024","10.0869","0.0006","10.8633","0.0006","35.817","0.002","90","","90","","90","","3924.7","0.4","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 F N O -","- C24 H24 F N O -","- C192 H192 F8 N8 O8 -","8","2","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0731","0.045","","","0.0937","0.1062","","","","","","1","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116025","9.4192","0.0001","10.1201","0.0001","11.8636","0.0003","90","","106.668","0.002","90","","1083.36","0.03","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C52 H58 N2 O6 -","2","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0452","0.0424","","","0.1127","0.1144","","","","","","1.086","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116026","9.4494","0.0009","9.702","0.001","13.061","0.001","90","","110.371","0.002","90","","1122.52","0.18","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H34 N O3 -","- C26 H34 N O3 -","- C52 H68 N2 O6 -","2","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0463","0.0426","","","0.1096","0.1137","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116027","8.4546","0.0007","22.244","0.002","32.612","0.002","90","","90","","90","","6133.1","0.8","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30.67 N O3 -","- C23 H30.6667 N O3 -","- C276 H368 N12 O36 -","12","3","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.1093","0.0735","","","0.1948","0.2281","","","","","","1","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116028","9.9023","0.0009","10.6217","0.0009","18.945","0.001","90","","90","","90","","1992.6","0.3","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O -","- C26 H23 N O -","- C104 H92 N4 O4 -","4","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0661","0.0413","","","0.0823","0.094","","","","","","1.055","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116029","10.3574","0.0006","10.6801","0.0006","19.388","0.001","90","","90","","90","","2144.7","0.2","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N O -","- C28 H26 N O -","- C112 H104 N4 O4 -","4","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0712","0.0483","","","0.1169","0.1296","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116030","10.0281","0.0004","11.4783","0.0005","16.8217","0.0007","90","","95.653","0.01","90","","1926.85","0.14","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","2","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0558","0.0414","","","0.0925","0.0983","","","","","","1.036","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116031","17.988","0.002","7.0987","0.0008","17.823","0.002","90","","109.749","0.008","90","","2142","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H23 Cl2 N O -","- C24 H23 Cl2 N O -","- C96 H92 Cl8 N4 O4 -","4","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0573","0.0517","","","0.1257","0.1278","","","","","","1.031","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116032","10.23","0.0003","9.0097","0.0003","12.3888","0.0003","90","","108.482","0.001","90","","1082.97","0.06","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C52 H58 N2 O6 -","2","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0445","0.0327","","","0.0714","0.0746","","","","","","1.003","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116033","8.3269","0.0004","8.4131","0.0004","29.128","0.002","90","","90","","90","","2040.6","0.2","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0658","0.0465","","","0.0931","0.102","","","","","","1.015","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116034","8.4524","0.0007","8.0786","0.0007","13.8705","0.0012","90","","98.816","0.002","90","","935.94","0.14","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O3 -","- C21 H27 N O3 -","- C42 H54 N2 O6 -","2","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0412","0.0403","","","0.1094","0.1107","","","","","","1.021","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116035","10.555","0.002","10.119","0.002","26.478","0.004","90","","99.201","0.002","90","","2791.6","0.9","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 N O S -","- C22 H23 N O S -","- C132 H138 N6 O6 S6 -","6","3","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0991","0.0918","","","0.2415","0.2466","","","","","","1.073","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116036","10.0585","0.0005","10.4847","0.0005","34.977","0.002","90","","90","","90","","3688.7","0.3","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O S -","- C22 H23 N O S -","- C176 H184 N8 O8 S8 -","8","2","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0895","0.0544","","","0.0919","0.103","","","","","","1.059","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116037","5.2688","0.0003","21.7645","0.0012","9.7497","0.0006","90","","93.748","0.001","90","","1115.63","0.11","213","2","213","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H24 Cl N O S -","- C26 H24 Cl N O S -","- C52 H48 Cl2 N2 O2 S2 -","2","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0369","0.0318","","","0.0796","0.0823","","","","","","1.034","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116038","5.2543","0.0004","10.236","0.0008","11.3852","0.0009","71.562","0.001","87.505","0.001","80.018","0.001","572.06","0.08","213","2","213","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H29 Hg N O3 -","- C26 H29 Hg N O3 -","- C26 H29 Hg N O3 -","1","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0316","0.0315","","","0.0751","0.0752","","","","","","1.053","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116039","13.3079","0.0003","13.5922","0.0004","16.1716","0.0004","90","","108.582","0.0002","90","","2772.68","0.12","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Cl2 Fe N12 O8 -","- C18 H30 Cl2 Fe N12 O8 -","- C72 H120 Cl8 Fe4 N48 O32 -","4","0.5","","Justine P. Roth; Scott Lovell; James M. Mayer","Intrinsic Barriers for Electron and Hydrogen Atom Transfer Reactions of Biomimetic Iron Complexes","Journal of the American Chemical Society","2000","122","","5486","5498","10.1021/ja9941328","","","0.7107","MoKα","","0.0988","0.0742","","","0.2144","0.2315","","","","","","1.096","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116040","13.214","0.0002","13.407","0.0003","15.731","0.0003","90","","90","","90","","2786.91","0.09","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H29 Cl2 Fe N12 O8 -","- C18 H29 Cl2 Fe N12 O8 -","- C72 H116 Cl8 Fe4 N48 O32 -","4","1","","Justine P. Roth; Scott Lovell; James M. Mayer","Intrinsic Barriers for Electron and Hydrogen Atom Transfer Reactions of Biomimetic Iron Complexes","Journal of the American Chemical Society","2000","122","","5486","5498","10.1021/ja9941328","","","0.7107","MoKα","","0.0904","0.0504","","","0.1412","0.1619","","","","","","1.03","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116041","17.5362","0.0015","14.1422","0.001","12.58","0.002","90","","90.45","0.004","90","","3119.7","0.6","161","2","161","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Cl3 Fe N12 O12 -","- C18 H30 Cl3 Fe N12 O12 -","- C72 H120 Cl12 Fe4 N48 O48 -","4","1","","Justine P. Roth; Scott Lovell; James M. Mayer","Intrinsic Barriers for Electron and Hydrogen Atom Transfer Reactions of Biomimetic Iron Complexes","Journal of the American Chemical Society","2000","122","","5486","5498","10.1021/ja9941328","","","0.7107","MoKα","","0.0896","0.0635","","","0.1646","0.1845","","","","","","1.154","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116042","16.315","0.001","14.444","0.001","19.452","0.001","90","","105.52","0.005","90","","4416.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H64 B10 Dy Na O5 -","- C36 H63 B10 Dy Na O5 -","- C144 H252 B40 Dy4 Na4 O20 -","4","1","","Kwoli Chui; Qingchuan Yang; Thomas C. W. Mak; Wai Han Lam; Zhenyang Lin; Zuowei Xie","Synthesis, Structure, and Bonding of d0/fn Metallacarboranes Incorporating the η7-Carboranyl Ligand","Journal of the American Chemical Society","2000","122","","5758","5764","10.1021/ja000188m","","","0.71073","MoKα","","0.0606","0.0537","","","0.1396","0.1453","","","","","","1.068","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116043","16.354","0.002","14.331","0.0019","19.469","0.003","90","","105.59","0.008","90","","4395.1","1.1","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H128 B20 Na2 O10 Y2 -","- C72 H126 B20 Na2 O10 Y2 -","- C144 H252 B40 Na4 O20 Y4 -","2","0.5","","Kwoli Chui; Qingchuan Yang; Thomas C. W. Mak; Wai Han Lam; Zhenyang Lin; Zuowei Xie","Synthesis, Structure, and Bonding of d0/fn Metallacarboranes Incorporating the η7-Carboranyl Ligand","Journal of the American Chemical Society","2000","122","","5758","5764","10.1021/ja000188m","","","0.71073","MoKα","","0.0918","0.0758","","","0.2015","0.2165","","","","","","1.1","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4116044","16.315","0.001","14.444","0.001","19.452","0.001","90","","105.52","0.005","90","","4416.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H64 B10 Er Na O5 -","- C36 H63 B10 Er Na O5 -","- C144 H252 B40 Er4 Na4 O20 -","4","1","","Kwoli Chui; Qingchuan Yang; Thomas C. W. Mak; Wai Han Lam; Zhenyang Lin; Zuowei Xie","Synthesis, Structure, and Bonding of d0/fn Metallacarboranes Incorporating the η7-Carboranyl Ligand","Journal of the American Chemical Society","2000","122","","5758","5764","10.1021/ja000188m","","","0.71073","MoKα","","0.05","0.0453","","","0.1366","0.1421","","","","","","1.04","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116045","9.5966","0.0015","14.867","0.003","16.246","0.003","114.37","0.011","102.23","0.008","90.44","0.01","2051.6","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H108 B20 Er2 Na2 O12 -","- C56 H108 B20 Er2 Na2 O12 -","- C56 H108 B20 Er2 Na2 O12 -","1","0.5","","Kwoli Chui; Qingchuan Yang; Thomas C. W. Mak; Wai Han Lam; Zhenyang Lin; Zuowei Xie","Synthesis, Structure, and Bonding of d0/fn Metallacarboranes Incorporating the η7-Carboranyl Ligand","Journal of the American Chemical Society","2000","122","","5758","5764","10.1021/ja000188m","","","0.71073","MoKα","","0.0694","0.0646","","","0.1711","0.1759","","","","","","1.028","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4116046","16.724","0.003","14.249","0.003","18.53","0.004","90","","103.83","0.03","90","","4287.7","1.6","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H64 B10 Li O5 Y -","- C36 H64 B10 Li O5 Y -","- C144 H256 B40 Li4 O20 Y4 -","4","1","","Kwoli Chui; Qingchuan Yang; Thomas C. W. Mak; Wai Han Lam; Zhenyang Lin; Zuowei Xie","Synthesis, Structure, and Bonding of d0/fn Metallacarboranes Incorporating the η7-Carboranyl Ligand","Journal of the American Chemical Society","2000","122","","5758","5764","10.1021/ja000188m","","","0.71073","MoKα","","0.1269","0.0869","","","0.1619","0.1797","","","","","","1.168","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4116047","16.742","0.003","14.225","0.003","18.483","0.004","90","","103.95","0.03","90","","4272","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H64 B10 Er Li O5 -","- C36 H64 B10 Er Li O5 -","- C144 H256 B40 Er4 Li4 O20 -","4","1","","Kwoli Chui; Qingchuan Yang; Thomas C. W. Mak; Wai Han Lam; Zhenyang Lin; Zuowei Xie","Synthesis, Structure, and Bonding of d0/fn Metallacarboranes Incorporating the η7-Carboranyl Ligand","Journal of the American Chemical Society","2000","122","","5758","5764","10.1021/ja000188m","","","0.71073","MoKα","","0.0556","0.0483","","","0.1237","0.1286","","","","","","1.077","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116048","6.0733","0.0003","13.5299","0.001","17.704","0.0013","84.051","0.003","87.394","0.004","82.095","0.004","1432.45","0.17","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 B Fe N -","- C16 H22 B Fe N -","- C64 H88 B4 Fe4 N4 -","4","2","","Andrea Berenbaum; Holger Braunschweig; Regina Dirk; Ulli Englert; Jennifer C. Green; Frieder Jäkle; Alan J. Lough; Ian Manners","Synthesis, Electronic Structure, and Novel Reactivity of Strained, Boron-Bridged [1]Ferrocenophanes","Journal of the American Chemical Society","2000","122","","5765","5774","10.1021/ja000311+","","","0.71073","MoKα","","0.0944","0.0511","","","0.1181","0.1314","","","","","","0.957","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116049","14.475","0.002","14.554","0.002","12.27","0.001","108.474","0.008","107.348","0.008","89.14","0.01","2331.1","0.5","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H44 Cl3 Cu2 N11 O15 -","- C35 Cl3 Cu2 N11 O15 -","- C70 Cl6 Cu4 N22 O30 -","2","1","","Hideki Ohtsu; Yuichi Shimazaki; Akira Odani; Osamu Yamauchi; Wasuke Mori; Shinobu Itoh; Shunichi Fukuzumi","Synthesis and Characterization of Imidazolate-Bridged Dinuclear Complexes as Active Site Models of Cu,Zn-SOD","Journal of the American Chemical Society","2000","122","","5733","5741","10.1021/ja994050j","","","1.5418","CuKα","","0.1558","0.073","","0.1506","0.109","","","","1.028","1.02","1.02","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116050","9.843","0.002","18.361","0.002","25.111","0.003","90","","97.84","0.02","90","","4495.8","1.2","296.2","","296.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H49 Cl3 Cu2 N8 O18 -","- C33 Cl3 Cu2 N8 O18 -","- C132 Cl12 Cu8 N32 O72 -","4","1","","Hideki Ohtsu; Yuichi Shimazaki; Akira Odani; Osamu Yamauchi; Wasuke Mori; Shinobu Itoh; Shunichi Fukuzumi","Synthesis and Characterization of Imidazolate-Bridged Dinuclear Complexes as Active Site Models of Cu,Zn-SOD","Journal of the American Chemical Society","2000","122","","5733","5741","10.1021/ja994050j","","","1.5418","CuKα","","0.1907","0.0838","","0.1865","0.1321","","","","1.135","1.21","1.21","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116051","14.861","0.005","10.784","0.005","35.597","0.004","90","","90.57","0.02","90","","5705","3","296.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Cl2 Cu N7 O8 -","- C21 Cl2 Cu N7 O8 -","- C168 Cl16 Cu8 N56 O64 -","8","2","","Hideki Ohtsu; Yuichi Shimazaki; Akira Odani; Osamu Yamauchi; Wasuke Mori; Shinobu Itoh; Shunichi Fukuzumi","Synthesis and Characterization of Imidazolate-Bridged Dinuclear Complexes as Active Site Models of Cu,Zn-SOD","Journal of the American Chemical Society","2000","122","","5733","5741","10.1021/ja994050j","","","0.7107","MoKα","","","0.075","","","","0.1053","","","","","","1.219","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116052","12.51","0.002","9.959","0.003","16.949","0.005","90","","90","","90","","2111.6","1","20","","20","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H16 Fe N6 S2 -","- C26 H16 Fe N6 S2 -","- C104 H64 Fe4 N24 S8 -","4","0.5","","Jey-Jau Lee; Hwo-shuenn Sheu; Chi-Rung Lee; Jin-Ming Chen; Jyh-Fu Lee; Chih-Chieh Wang; Chun-Hsun Huang; Yu Wang","X-ray Absorption Spectroscopic Studies on Light-Induced Excited Spin State Trapping of an Fe(II) Complex","Journal of the American Chemical Society","2000","122","","5742","5747","10.1021/ja9943290","","","0.642","Synchrotron","","0.069","0.069","","0.064","0.064","","","","","3.29","3.29","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116053","9.982","0.006","10","0.001","9.576","0.004","97.96","0.03","114.87","0.03","107.67","0.02","786.2","0.7","288.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C6 H15 Ge N2 O12 P3 Zn -","- C6 H15 Ge N2 O12 P3 Zn -","- C12 H30 Ge2 N4 O24 P6 Zn2 -","2","1","","Jianmin Li; Yanxiong Ke; Yugen Zhang; Gaofei He; Zheng Jiang; Masayoshi Nishiura; Tsuneo Imamoto","((DABCO).ZnGe(HPO4)3: The First Zinco-Germanophosphate with a Unique Asymmetric Cage","Journal of the American Chemical Society","2000","122","","6110","6111","10.1021/ja000107m","","","0.7107","MoKα","","","0.0685","","","","0.1251","","","","","","3.192","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116054","10.797","0.002","22.824","0.004","8.768","0.003","90","","90","","90","","2160.7","0.9","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,3R,4S)-5,5-diphenyl-2-methoxycarbonyl-3-(4-methoxyphenyl)- 4-nitropyrrolidine","","- C25 H24 N2 O5 -","- C25 H24 N2 O5 -","- C100 H96 N8 O20 -","4","1","","Silvia Vivanco; Begoña Lecea; Ana Arrieta; Pilar Prieto; Iñaki Morao; Anthony Linden; Fernando P. Cossío","Origins of the Loss of Concertedness in Pericyclic Reactions: Theoretical Prediction and Direct Observation of Stepwise Mechanisms in [3 + 2] Thermal Cycloadditions","Journal of the American Chemical Society","2000","122","","6078","6092","10.1021/ja9945360","","","0.71069","MoKα","","","0.0399","","","","0.0359","","","","","","1.767","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116055","10.6","0.001","15.514","0.002","10.014","0.002","90","","111.58","0.01","90","","1531.4","0.4","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2S*,3R*)-Methyl 2-acetamido-3-(4-methoxyphenyl)-4-nitrobutyrate","","- C14 H18 N2 O6 -","- C14 H18 N2 O6 -","- C56 H72 N8 O24 -","4","1","","Silvia Vivanco; Begoña Lecea; Ana Arrieta; Pilar Prieto; Iñaki Morao; Anthony Linden; Fernando P. Cossío","Origins of the Loss of Concertedness in Pericyclic Reactions: Theoretical Prediction and Direct Observation of Stepwise Mechanisms in [3 + 2] Thermal Cycloadditions","Journal of the American Chemical Society","2000","122","","6078","6092","10.1021/ja9945360","","","0.71069","MoKα","","0.1642","0.0589","","0.0549","0.0463","0.0463","","","1.392","","","1.686","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116056","18.2411","0.0008","22.9074","0.0008","24.7429","0.0012","90.442","0.002","77.707","0.002","78.95","0.002","9901.9","0.7","175","","","","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C176 H220 Cl4 N14 O32 Zn2 -","- C174 Cl4 N14 O32 Zn2 -","- C348 Cl8 N28 O64 Zn4 -","2","1","","Olivier Sénèque; Marie-Noëlle Rager; Michel Giorgi; Olivia Reinaud","Calix[6]arenes and Zinc: Biomimetic Receptors for Neutral Molecules","Journal of the American Chemical Society","2000","122","","6183","6189","10.1021/ja000185+","","","0.71073","xray","","","0.125","","","0.1339","","","","","5.09","5.09","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116057","14.5244","0.0004","15.819","0.0005","23.3483","0.0006","90.34","0.001","104.163","0.001","108.724","0.001","4905.3","0.2","298","","","","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C97 H134 Cl2 N10 O14 Zn -","- C97 H115 Cl2 N10 O15.5 Zn -","- C194 H230 Cl4 N20 O31 Zn2 -","2","1","","Olivier Sénèque; Marie-Noëlle Rager; Michel Giorgi; Olivia Reinaud","Calix[6]arenes and Zinc: Biomimetic Receptors for Neutral Molecules","Journal of the American Chemical Society","2000","122","","6183","6189","10.1021/ja000185+","","","0.71073","xray","","","0.054","","","0.092","","","","","2.408","2.408","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116058","12.5434","0.001","18.0749","0.0014","14.1236","0.0011","90","","109.767","0.001","90","","3013.4","0.4","233","2","233","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C30.5 H32.5 Cl F3 N O5 Pt S -","- C28.5 H32.5 Cl F3 N3 O5 Pt S -","- C114 H130 Cl4 F12 N12 O20 Pt4 S4 -","4","2","","James A. Johnson; Dalibor Sames","C-H Bond Activation of Hydrocarbon Segments in Complex Organic Molecules: Total Synthesis of the Antimitotic Rhazinilam","Journal of the American Chemical Society","2000","122","","6321","6322","10.1021/ja0003223","","","0.71073","MoKα","","0.0397","0.0374","","","0.1023","0.105","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116059","10.024","0.003","10.22","0.003","10.727","0.004","74.42","0.03","74.58","0.02","84.77","0.03","1020.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Cu2 N2 O6 -","- C22 H14 Cu2 N2 O6 -","- C44 H28 Cu4 N4 O12 -","2","1","","Samuel M-F. Lo; Stephen S-Y. Chui; Lai-Yung Shek; Zhenyang Lin; Xi Xiang Zhang; Ge-hei Wen; Ian D. Williams","Solvothermal Synthesis of a Stable Coordination Polymer with Copper-I-Copper-II Dimer Units: [Cu4{1,4-C6H4(COO)2}3(4,4'-bipy)2]n","Journal of the American Chemical Society","2000","122","","6293","6294","10.1021/ja000416c","","","0.71073","MoKα","","0.0516","0.0408","","","0.1025","0.1094","","","","","","1.047","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116060","27.004","0.004","27.004","0.004","12.23","0.002","90","","90","","90","","8918","2","20","2","20","2","","","","","","","synthesis","5","I -4","I -4","82","","","","- C42 H36 Cl6 Co3 N12 -","- C42 H33.8 Cl6 Co3 N12 -","- C336 H270.4 Cl48 Co24 N96 -","8","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang","Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State","Journal of the American Chemical Society","2000","122","","6226","6236","10.1021/ja000515q","","","0.56086","AgKα","","0.056","0.0416","","0.0952","0.0903","","","","1.055","1.102","1.102","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116061","12.9014","0.0006","14.0313","0.0006","11.2384","0.0001","90","","90","","90","","2034.41","0.13","296","2","296","2","","","","","","","synthesis","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Co3 N12 -","- C41 H34 Cl4 Co3 N12 -","- C82 H68 Cl8 Co6 N24 -","2","0.5","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang","Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State","Journal of the American Chemical Society","2000","122","","6226","6236","10.1021/ja000515q","","","0.71073","MoKα","","0.0379","0.036","","0.092","0.0902","","","","1.097","1.097","1.097","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116062","11.176","0.002","13.92","0.002","12.74","0.002","90","","90.056","0.009","90","","1982","0.6","109","2","109","2","","","","","","","synthesis","5","P 1 n 1","P -2yac","7","","","","- C41 H34 Cl4 Co3 N12 -","- C41 H34 Cl4 Co3 N12 -","- C82 H68 Cl8 Co6 N24 -","2","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang","Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State","Journal of the American Chemical Society","2000","122","","6226","6236","10.1021/ja000515q","","","0.71073","MOKα","","0.0327","0.0311","","0.0804","0.0794","","","","1.097","1.094","1.094","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116063","27.378","0.002","27.378","0.002","12.318","0.001","90","","90","","90","","9233","1.2","298","2","298","2","","","","","","","synthesis","5","I -4","I -4","82","","","","- C42 H36 Cl6 Co3 N12 -","- C42 H34 Cl6.01 Co3 N12 -","- C336 H272 Cl48.08 Co24 N96 -","8","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang","Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State","Journal of the American Chemical Society","2000","122","","6226","6236","10.1021/ja000515q","","","0.71073","MoKα","","0.0439","0.0406","","0.1044","0.1008","","","","1.077","1.071","1.071","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116064","27.2558","0.0008","27.2558","0.0008","12.2451","0.0007","90","","90","","90","","9096.6","0.6","213","2","213","2","","","","","","","synthesis","5","I -4","I -4","82","","","","- C42 H36 Cl6 Co3 N12 -","- C42 H34 Cl6.01 Co3 N12 -","- C336 H272 Cl48.08 Co24 N96 -","8","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang","Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State","Journal of the American Chemical Society","2000","122","","6226","6236","10.1021/ja000515q","","","0.71073","MoKα","","0.0405","0.0383","","0.093","0.091","","","","1.136","1.138","1.138","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116065","27.189","0.001","27.189","0.001","12.2293","0.0007","90","","90","","90","","9040.4","0.7","173","2","173","2","","","","","","","synthesis","5","I -4","I -4","82","","","","- C42 H36 Cl6 Co3 N12 -","- C42 H34 Cl6.01 Co3 N12 -","- C336 H272 Cl48.08 Co24 N96 -","8","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang","Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State","Journal of the American Chemical Society","2000","122","","6226","6236","10.1021/ja000515q","","","0.71073","MoKα","","0.0395","0.0378","","0.092","0.0902","","","","1.022","1.02","1.02","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116066","27.128","0.001","27.128","0.001","12.2094","0.0009","90","","90","","90","","8985.2","0.8","133","2","133","2","","","","","","","synthesis","5","I -4","I -4","82","","","","- C42 H36 Cl6 Co3 N12 -","- C42 H34 Cl6.01 Co3 N12 -","- C336 H272 Cl48.08 Co24 N96 -","8","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang","Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State","Journal of the American Chemical Society","2000","122","","6226","6236","10.1021/ja000515q","","","0.71073","MoKα","","0.0386","0.037","","0.0962","0.0944","","","","1.084","1.081","1.081","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116067","13.477","0.002","21.479","0.001","9.863","0.001","90","","90","","90","","2855.1","0.5","296.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H43 B Br O2 P -","- C27 H43 B Br O2 P -","- C108 H172 B4 Br4 O8 P4 -","4","1","","Tsuneo Imamoto; Hideaki Morishita","An Enantiomerically Pure Tetracoordinate Boron Compound: Stereochemistry of Substitution Reactions at the Chirogenic Boron Atom","Journal of the American Chemical Society","2000","122","","6329","6330","10.1021/ja0011764","","","1.5418","CuKα","","","0.0948","","","","0.1321","","","","","","2.771","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116068","7.666","0.002","17.2","0.002","8.955","0.002","90","","109.84","0.02","90","","1110.7","0.4","296.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H37 B Br O2 P -","- C20 H37 B Br O2 P -","- C40 H74 B2 Br2 O4 P2 -","2","1","","Tsuneo Imamoto; Hideaki Morishita","An Enantiomerically Pure Tetracoordinate Boron Compound: Stereochemistry of Substitution Reactions at the Chirogenic Boron Atom","Journal of the American Chemical Society","2000","122","","6329","6330","10.1021/ja0011764","","","1.5418","CuKα","","","0.0955","","","","0.1288","","","","","","1.866","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116069","7.611","0.002","17.309","0.002","8.95","0.002","90","","110.24","0.01","90","","1106.3","0.4","296.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H37 B N O2 P -","- C21 H37 B N O2 P -","- C42 H74 B2 N2 O4 P2 -","2","1","","Tsuneo Imamoto; Hideaki Morishita","An Enantiomerically Pure Tetracoordinate Boron Compound: Stereochemistry of Substitution Reactions at the Chirogenic Boron Atom","Journal of the American Chemical Society","2000","122","","6329","6330","10.1021/ja0011764","","","1.5418","CuKα","","","0.0545","","","","0.0847","","","","","","1.901","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116070","8.9674","0.0005","11.8249","0.0006","37.037","0.002","90","","92.577","0.001","90","","3923.4","0.4","173","2","173","2","","","","","","","Patrick Holland","6","P 1 21/n 1","-P 2yn","14","00104","A(iPr)CuSCPh2(CH2OCH3)","","- C44 H56 Cu N2 O S -","- C44 H56 Cu N2 O S -","- C176 H224 Cu4 N8 O4 S4 -","4","1","","Patrick L. Holland; William B. Tolman","A Structural Model of the Type 1 Copper Protein Active Site: N2S(thiolate)S(thioether) Ligation in a Cu(II) Complex","Journal of the American Chemical Society","2000","122","","6331","6332","10.1021/ja001328v","","","0.71073","MoKα","","0.1083","0.0648","","","0.1263","0.14","","","","","","1.042","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116071","31.7444","0.0015","31.7444","0.0015","23.6164","0.0011","90","","90","","120","","20610","1.7","173","2","173","2","","","","","","","Patrick Holland","5","R -3 :H","-R 3","148","00122","L(iPr)Cu(SCPh2CH2SCH3) * (C2H5)2O","","- C44 H56 Cu N2 S2 -","- C44 H56 Cu N2 S2 -","- C792 H1008 Cu18 N36 S36 -","18","1","","Patrick L. Holland; William B. Tolman","A Structural Model of the Type 1 Copper Protein Active Site: N2S(thiolate)S(thioether) Ligation in a Cu(II) Complex","Journal of the American Chemical Society","2000","122","","6331","6332","10.1021/ja001328v","","","0.71073","MoKα","","0.12","0.0578","","","0.1083","0.1271","","","","","","1.026","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116072","12.866","0.003","15.594","0.003","18.197","0.004","67.33","0.03","76.78","0.03","73.38","0.03","3199","1.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H48 Ti -","- C34 H48 Ti -","- C136 H192 Ti4 -","4","2","","Paul-Michael Pellny; Vladimir V. Burlakov; Perdita Arndt; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal","Reactions of Hexatriynes with Permethyltitanocene and -zirconocene Complexes: First NMR Observation of a Metallocene Sliding along a Polyyne Chain","Journal of the American Chemical Society","2000","122","","6317","6318","10.1021/ja994393h","","","0.71073","MoKα","","0.0961","0.0525","","0.1332","0.1203","","","","0.879","1.083","1.083","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116073","9.093","0.002","30.743","0.006","11.625","0.002","90","","106.23","0.03","90","","3120.2","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Zr -","- C34 H48 Zr -","- C136 H192 Zr4 -","4","1","","Paul-Michael Pellny; Vladimir V. Burlakov; Perdita Arndt; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal","Reactions of Hexatriynes with Permethyltitanocene and -zirconocene Complexes: First NMR Observation of a Metallocene Sliding along a Polyyne Chain","Journal of the American Chemical Society","2000","122","","6317","6318","10.1021/ja994393h","","","0.71073","MoKα","","0.0534","0.0367","","0.0859","0.0821","","","","0.939","1.055","1.055","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116074","14.075","0.002","17.906","0.007","23.885","0.003","90","","106.455","0.017","90","","5773","3","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Na(H2O)(bicyclicbenzocrown)Cl.(2.62CHCl3).(0.31C6H14).(1.14H2O)","","- C48.48 H53.24 Cl8.86 N4 Na O12.14 -","- C48.48 H44.62 Cl8.86 N4 Na O12.14 -","- C193.92 H178.48 Cl35.44 N16 Na4 O48.56 -","4","1","","Martin J. Deetz; Maoyu Shang; Bradley D. Smith","A Macrobicyclic Receptor with Versatile Recognition Properties: Simultaneous Binding of an Ion Pair and Selective Complexation of Dimethylsulfoxide","Journal of the American Chemical Society","2000","122","","6201","6207","10.1021/ja994487r","","","0.71073","MoKα","","0.1393","0.0925","","","0.2408","0.2782","","","","","","1.056","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116075","38.531","0.003","14.1236","0.001","17.5199","0.0017","90","","102.88","0.003","90","","9294.4","1.3","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(dicarboxamidedibenzocrown).2.0H2O.1.5Me2SO","","- C47 H55 N4 O13.5 S1.5 -","- C47.008 H55 N4 O13.5 S1.5 -","- C376.064 H440 N32 O108 S12 -","8","1","","Martin J. Deetz; Maoyu Shang; Bradley D. Smith","A Macrobicyclic Receptor with Versatile Recognition Properties: Simultaneous Binding of an Ion Pair and Selective Complexation of Dimethylsulfoxide","Journal of the American Chemical Society","2000","122","","6201","6207","10.1021/ja994487r","","","0.71073","MoKα","","0.1256","0.0856","","","0.2165","0.2462","","","","","","0.989","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116076","17.254","0.004","15.452","0.005","24.427","0.006","90","","106.28","0.01","90","","6251","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H79 F3 Fe2 N8 O8 S -","- C63 H79 F3 Fe2 N8 O8 S -","- C252 H316 F12 Fe8 N32 O32 S4 -","4","1","","Sonha C. Payne; Karl S. Hagen","Steric Control of Reactivity of Non-Heme μ-Hydroxo Diiron(II) Complexes with Oxygen: Isolation of a Strongly Coupled μ-Oxo Fe(II)Fe(III) Dimer","Journal of the American Chemical Society","2000","122","","6399","6410","10.1021/ja991885l","","","0.71073","MoKα","","0.0834","0.0604","","0.1847","0.1609","","","","1.038","1.055","1.055","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116077","20.418","0.002","19.2789","0.0014","37.606","0.002","90","","90","","90","","14803","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H96 B Fe2 N7 O5 -","- C84 H96 B Fe2 N7 O5 -","- C672 H768 B8 Fe16 N56 O40 -","8","1","","Sonha C. Payne; Karl S. Hagen","Steric Control of Reactivity of Non-Heme μ-Hydroxo Diiron(II) Complexes with Oxygen: Isolation of a Strongly Coupled μ-Oxo Fe(II)Fe(III) Dimer","Journal of the American Chemical Society","2000","122","","6399","6410","10.1021/ja991885l","","","1.54178","CuKα","","0.1226","0.0816","","0.3213","0.2153","","","","1.021","1.012","1.012","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116078","20.7008","0.0003","19.6161","0.0001","30.3179","0.0005","90","","90","","90","","12311.2","0.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C63 H67 F3 Fe2 N6 O9 S -","- C61 H60 F3 Fe2 N6 O8.5 S -","- C488 H480 F24 Fe16 N48 O68 S8 -","8","1","","Sonha C. Payne; Karl S. Hagen","Steric Control of Reactivity of Non-Heme μ-Hydroxo Diiron(II) Complexes with Oxygen: Isolation of a Strongly Coupled μ-Oxo Fe(II)Fe(III) Dimer","Journal of the American Chemical Society","2000","122","","6399","6410","10.1021/ja991885l","","","0.71073","MoKα","","0.1087","0.0887","","0.2409","0.2261","","","","1.165","1.216","1.216","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116079","20.5573","0.0009","19.3176","0.0008","37.7437","0.0014","90","","90","","90","","14988.7","1.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H95 B Fe2 N7 O5 -","- C84 H95 B Fe2 N7 O5 -","- C672 H760 B8 Fe16 N56 O40 -","8","1","","Sonha C. Payne; Karl S. Hagen","Steric Control of Reactivity of Non-Heme μ-Hydroxo Diiron(II) Complexes with Oxygen: Isolation of a Strongly Coupled μ-Oxo Fe(II)Fe(III) Dimer","Journal of the American Chemical Society","2000","122","","6399","6410","10.1021/ja991885l","","","1.54178","CuKα","","0.1304","0.0716","","0.2175","0.1729","","","","1.022","1.113","1.113","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116080","16.171","0.005","15.182","0.002","27.989","0.006","90","","105.23","0.02","90","","6630","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H82 F6 Fe2 N6 O13 S2 -","- C64 H82 F6 Fe2 N6 O13 S2 -","- C256 H328 F24 Fe8 N24 O52 S8 -","4","1","","Sonha C. Payne; Karl S. Hagen","Steric Control of Reactivity of Non-Heme μ-Hydroxo Diiron(II) Complexes with Oxygen: Isolation of a Strongly Coupled μ-Oxo Fe(II)Fe(III) Dimer","Journal of the American Chemical Society","2000","122","","6399","6410","10.1021/ja991885l","","","1.54178","CuKα","","0.1463","0.0802","","0.2191","0.179","","","","1.02","1.13","1.13","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116081","12.937","0.002","14.977","0.003","25.627","0.005","93.84","0.01","91.12","0.01","96.26","0.01","4922.9","1.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H119 B2 Fe2 N8 O7 -","- C112 H119 B2 Fe2 N8 O7 -","- C224 H238 B4 Fe4 N16 O14 -","2","1","","Sonha C. Payne; Karl S. Hagen","Steric Control of Reactivity of Non-Heme μ-Hydroxo Diiron(II) Complexes with Oxygen: Isolation of a Strongly Coupled μ-Oxo Fe(II)Fe(III) Dimer","Journal of the American Chemical Society","2000","122","","6399","6410","10.1021/ja991885l","","","1.54178","CuKα","","0.0954","0.0657","","0.2025","0.1753","","","","1.015","1.074","1.074","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116082","10.4432","0.0004","8.7916","0.0004","29.4646","0.0012","90","","97.298","0.001","90","","2683.3","0.19","188","2","188","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 N6 O8 Zn2 -","- C20 H38 N6 O8 Zn2 -","- C80 H152 N24 O32 Zn8 -","4","1","","Natalia V. Kaminskaia; Bernhard Spingler; Stephen J. Lippard","Hydrolysis of β-Lactam Antibiotics Catalyzed by Dinuclear Zinc(II) Complexes: Functional Mimics of Metallo-β-lactamases","Journal of the American Chemical Society","2000","122","","6411","6422","10.1021/ja993704l","","","0.71073","MoKα","","0.0809","0.0433","","","0.1209","0.1382","","","","","","0.844","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116083","14.017","0.005","11.416","0.005","16.931","0.005","90","0.005","111.462","0.005","90","0.005","2521.4","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Zn2L1(OH)(NO3)2","","","- C19 H36 N6 O8 Zn2 -","- C19 H36 N6 O8 Zn2 -","- C76 H144 N24 O32 Zn8 -","4","0.5","","Natalia V. Kaminskaia; Bernhard Spingler; Stephen J. Lippard","Hydrolysis of β-Lactam Antibiotics Catalyzed by Dinuclear Zinc(II) Complexes: Functional Mimics of Metallo-β-lactamases","Journal of the American Chemical Society","2000","122","","6411","6422","10.1021/ja993704l","","","0.71069","MoKα","","0.0625","0.035","","","0.0738","0.081","","","","","","0.976","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116084","8.6489","0.0001","17.2821","0.0002","19.5061","0.0005","90","","97.583","0.001","90","","2890.1","0.09","188","2","188","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Br N7 O10 Zn2 -","- C20 H18 Br N7 O10 Zn2 -","- C80 H72 Br4 N28 O40 Zn8 -","4","1","","Natalia V. Kaminskaia; Bernhard Spingler; Stephen J. Lippard","Hydrolysis of β-Lactam Antibiotics Catalyzed by Dinuclear Zinc(II) Complexes: Functional Mimics of Metallo-β-lactamases","Journal of the American Chemical Society","2000","122","","6411","6422","10.1021/ja993704l","","","0.71073","MoKα","","0.0459","0.0381","","","0.1384","0.1453","","","","","","1.19","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116085","25.0187","0.0003","25.0187","0.0003","8.6641","0.0002","90","","90","","90","","5423.17","0.16","188","2","188","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C19 H35 N7 O10 Zn2 -","- C19 H35 N7 O10 Zn2 -","- C152 H280 N56 O80 Zn16 -","8","1","","Natalia V. Kaminskaia; Bernhard Spingler; Stephen J. Lippard","Hydrolysis of β-Lactam Antibiotics Catalyzed by Dinuclear Zinc(II) Complexes: Functional Mimics of Metallo-β-lactamases","Journal of the American Chemical Society","2000","122","","6411","6422","10.1021/ja993704l","","","0.71073","MoKα","","0.0761","0.0409","","","0.0772","0.0842","","","","","","1.009","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116086","12.571","0.006","14.418","0.007","9.414","0.004","100.63","0.04","95.88","0.04","112.38","0.04","1522.4","1.4","298.2","","298.2","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H60 Cl8 N4 O10 -","- C62 H60 Cl8 N4 O10 -","- C62 H60 Cl8 N4 O10 -","1","0.5","","Hidemitsu Uno; Takashi Inoue; Yumiko Fumoto; Motoo Shiro; Noboru Ono","meso-Unsubstituted Porphyrinogens and Hexaphyrinogens: The First X-ray Characterization","Journal of the American Chemical Society","2000","122","","6773","6774","10.1021/ja000482e","","","1.5418","CuKα","","0.0529","0.053","","0.069","","0.069","","","1.978","","","1.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116087","43.981","0.002","43.981","0.001","17.017","0.001","90","","90","","120","","28506","2","143.2","","143.2","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C103 H115 Cl3 N6 O12 -","- C103.001 H114.75 Cl2.833 N6 O12 -","- C1236.01 H1377 Cl33.996 N72 O144 -","12","0.666667","","Hidemitsu Uno; Takashi Inoue; Yumiko Fumoto; Motoo Shiro; Noboru Ono","meso-Unsubstituted Porphyrinogens and Hexaphyrinogens: The First X-ray Characterization","Journal of the American Chemical Society","2000","122","","6773","6774","10.1021/ja000482e","","","0.7107","MoKα","","","0.0756","","","","0.0941","","","","","","1.739","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116088","17.0867","0.0013","17.0867","0.0013","49.643","0.006","90","","90","","120","","12552","2","293","2","293","2","","","","","","","synthetic","8","R -3 c :H","-R 3 2""c","167","","","","- C12 H48 N12 Na2 O24 Re12 Se16 Zn3 -","- C12 N12 Na1.98 O23.6 Re12 Se16 Zn3 -","- C72 N72 Na11.88 O141.6 Re72 Se96 Zn18 -","6","0.166667","","Miriam V. Bennett; Matthew P. Shores; Laurance G. Beauvais; Jeffrey R. Long","Expansion of the Porous Solid Na2Zn3[Fe(CN)6]2.9H2O: Enhanced Ion-Exchange Capacity in Na2Zn3[Re6Se8(CN)6]2.24H2O","Journal of the American Chemical Society","2000","122","","6664","6668","10.1021/ja000593d","","","0.71073","MoKα","","0.1091","0.0446","","0.0973","0.0811","","","","0.99","1.116","1.116","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116089","17.1915","0.0012","17.1915","0.0012","49.369","0.005","90","","90","","120","","12636.1","1.8","293","2","293","2","","","","","","","synthetic","7","R -3 c :H","-R 3 2""c","167","","","","- C12 H48 N12 O24 Re12 Se16 Zn4 -","- C12 N12 O24 Re12 Se16 Zn4 -","- C72 N72 O144 Re72 Se96 Zn24 -","6","0.166667","","Miriam V. Bennett; Matthew P. Shores; Laurance G. Beauvais; Jeffrey R. Long","Expansion of the Porous Solid Na2Zn3[Fe(CN)6]2.9H2O: Enhanced Ion-Exchange Capacity in Na2Zn3[Re6Se8(CN)6]2.24H2O","Journal of the American Chemical Society","2000","122","","6664","6668","10.1021/ja000593d","","","0.71073","MoKα","","0.0525","0.0278","","0.0732","0.0687","","","","0.949","1.102","1.102","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116090","18.9899","0.0002","10.8806","0.0003","8.5788","0.0003","90","","108.218","0.002","90","","1683.71","0.08","293","2","293","2","","","","","","","synthetic","7","C 1 2/m 1","-C 2y","12","","","","- C6 H34 N6 O15 Re6 Se8 Zn2 -","- C6 N6 O17 Re6 Se8 Zn2 -","- C12 N12 O34 Re12 Se16 Zn4 -","2","0.25","","Miriam V. Bennett; Matthew P. Shores; Laurance G. Beauvais; Jeffrey R. Long","Expansion of the Porous Solid Na2Zn3[Fe(CN)6]2.9H2O: Enhanced Ion-Exchange Capacity in Na2Zn3[Re6Se8(CN)6]2.24H2O","Journal of the American Chemical Society","2000","122","","6664","6668","10.1021/ja000593d","","","0.71073","MoKα","","0.0667","0.0399","","0.099","0.0891","","","","1.02","1.101","1.101","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116091","15.232","0.003","25.028","0.005","19.142","0.004","90","","110.7","0.02","90","","6826","3","140","2","140","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C65 H74 B F24 N O P2 Ru -","- C65 H74 B F24 N O P2 Ru -","- C260 H296 B4 F96 N4 O4 P8 Ru4 -","4","1","","Andrew J. Toner; Stephan Gründemann; Eric Clot; Hans-Heinrich Limbach; Bruno Donnadieu; Sylviane Sabo-Etienne; Bruno Chaudret","Ruthenium Assisted Reversible Proton Transfer from an Aromatic Carbon to a Hydride","Journal of the American Chemical Society","2000","122","","6777","6778","10.1021/ja9943997","","","0.71073","MoKα","","0.0403","0.0357","","","0.0915","0.0949","","","","","","1.031","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116092","7.7846","0.001","17.781","0.003","13.173","0.003","90","","91.534","0.013","90","","1822.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Ag N7 O3 -","- C14 H20 Ag N7 O3 -","- C56 H80 Ag4 N28 O12 -","4","1","","Kil Sik Min; Myunghyun Paik Suh","Silver(I)-Polynitrile Network Solids for Anion Exchange: Anion-Induced Transformation of Supramolecular Structure in the Crystalline State","Journal of the American Chemical Society","2000","122","","6834","6840","10.1021/ja000642m","","","0.71069","MoKα","","0.0562","0.0387","","","0.0925","0.0982","","","","","","0.977","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116093","10.5634","0.0007","17.186","0.002","11.4697","0.0007","90","","90.142","0.005","90","","2082.2","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Ag F3 N6 O3 S -","- C15 H20 Ag F3 N6 O3 S -","- C60 H80 Ag4 F12 N24 O12 S4 -","4","1","","Kil Sik Min; Myunghyun Paik Suh","Silver(I)-Polynitrile Network Solids for Anion Exchange: Anion-Induced Transformation of Supramolecular Structure in the Crystalline State","Journal of the American Chemical Society","2000","122","","6834","6840","10.1021/ja000642m","","","0.71069","MoKα","","0.0602","0.0471","","","0.117","0.1237","","","","","","0.969","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116094","11.05","0.003","11.414","0.003","14.79","0.004","90","","90","","90","","1865.4","0.9","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C7 H10 Ag0.5 Cl0.5 N3 O2 -","- C7 H10 Ag0.5 Cl0.5 N3 O2 -","- C56 H80 Ag4 Cl4 N24 O16 -","8","1","","Kil Sik Min; Myunghyun Paik Suh","Silver(I)-Polynitrile Network Solids for Anion Exchange: Anion-Induced Transformation of Supramolecular Structure in the Crystalline State","Journal of the American Chemical Society","2000","122","","6834","6840","10.1021/ja000642m","","","0.71069","MoKα","","0.0611","0.0545","","","0.1455","0.1506","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116095","18.51","0.003","13.4478","0.0018","7.6928","0.001","90","","101.552","0.003","90","","1876.1","0.5","290","2","290","2","","","","","","","","6","I 1 m 1","I -2y","8","ITQ4","","","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","1","0.25","","Ivor Bull; Luis A. Villaescusa; Simon J. Teat; Miguel A. Camblor; Paul A. Wright; Philip Lightfoot; Russell E. Morris","Imposition of Polarity on a Centrosymmetric Zeolite Host: The Effect of Fluoride Ions on Template Ordering in Zeolite IFR","Journal of the American Chemical Society","2000","122","","7128","7129","10.1021/ja000885e","","","0.6994","","","0.0577","0.0525","","","0.1316","0.135","","","","","","1.05","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116096","18.571","0.0008","13.4943","0.0006","7.7153","0.0003","90","","102.302","0.001","90","","1889.08","0.14","30","2","30","2","","","","","","","","6","I 1 m 1","I -2y","8","","","","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","1","0.25","","Ivor Bull; Luis A. Villaescusa; Simon J. Teat; Miguel A. Camblor; Paul A. Wright; Philip Lightfoot; Russell E. Morris","Imposition of Polarity on a Centrosymmetric Zeolite Host: The Effect of Fluoride Ions on Template Ordering in Zeolite IFR","Journal of the American Chemical Society","2000","122","","7128","7129","10.1021/ja000885e","","","0.6448","","","0.0505","0.0479","","","0.1294","0.1325","","","","","","1.096","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116097","5.5295","0.0004","7.6073","0.0005","16.6967","0.0012","89.053","0.001","80.533","0.001","69.071","0.001","646.39","0.08","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Au N S -","- C12 H16 Au N S -","- C24 H32 Au2 N2 S2 -","2","1","","Robert E. Bachman; Sheri A. Bodolosky-Bettis; Shana C. Glennon; Scott A. Sirchio","Formation of a Novel Luminescent Form of Gold(I) Phenylthiolate via Self-Assembly and Decomposition of Isonitrilegold(I) Phenylthiolate Complexes","Journal of the American Chemical Society","2000","122","","7146","7147","10.1021/ja000973z","","","0.71073","MoKα","","0.0615","0.0433","","","0.0966","0.1055","","","","","","1.035","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116098","5.4405","0.0004","7.5603","0.0005","18.7189","0.0012","87.657","0.001","87.101","0.001","70.421","0.001","724.26","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Au N S -","- C14 H20 Au N S -","- C28 H40 Au2 N2 S2 -","2","1","","Robert E. Bachman; Sheri A. Bodolosky-Bettis; Shana C. Glennon; Scott A. Sirchio","Formation of a Novel Luminescent Form of Gold(I) Phenylthiolate via Self-Assembly and Decomposition of Isonitrilegold(I) Phenylthiolate Complexes","Journal of the American Chemical Society","2000","122","","7146","7147","10.1021/ja000973z","","","0.71073","MoKα","","0.0429","0.0324","","","0.0674","0.0686","","","","","","0.865","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116099","10.947","0.006","11.741","0.006","10.054","0.005","107.12","0.03","91.96","0.01","80.51","0.03","1217.9","1.1","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Cl Fe N4 O7 -","- C24 H18 Cl Fe N4 O7 -","- C48 H36 Cl2 Fe2 N8 O14 -","2","1","","Shinya Hayami; Zhong-ze Gu; Motoo Shiro; Yasuaki Einaga; Akira Fujishima; Osamu Sato","First Observation of Light-Induced Excited Spin State Trapping for an Iron(III) Complex","Journal of the American Chemical Society","2000","122","","7126","7127","10.1021/ja001406e","","","0.7107","MoKα","","","0.0725","","","","0.1004","","","","","","1.183","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116100","13.43","0.003","18.333","0.004","17.118","0.003","90","","94.86","0.03","90","","4199.5","1.5","203","2","200","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C76 H110 Al14 Cl Si -","- C76 H110.12 Al14 Cl Si -","- C152 H220.24 Al28 Cl2 Si2 -","2","0.25","","Andreas Purath; Carsten Dohmeier; Achim Ecker; Ralf Köppe; Harald Krautscheid; Hansgeorg Schnöckel; Reinhart Ahlrichs; Carsten Stoermer; Jochen Friedrich; Peter Jutzi","Synthesis and Structure of a Neutral SiAl14 Cluster","Journal of the American Chemical Society","2000","122","","6955","6959","10.1021/ja991890p","","","0.71073","MoKa=20","","0.098","0.0654","","0.1721","0.156","","","","0.985","1.108","1.108","","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116101","7.827","0.001","12.774","0.001","17.353","0.001","90","","90","","90","","1735","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2(S)-amino-3-(1H-imidazol-4(5)-yl)propyl cyclohexylmethyl ether dihydrochloride","","- C13 H25 Cl2 N3 O -","- C13 H25 Cl2 N3 O -","- C52 H100 Cl8 N12 O4 -","4","1","","Jari T. Kovalainen; Johannes A. M. Christiaans; Risto Ropponen; Antti Poso; Mikael Peräkylä; Jouko Vepsäläinen; Reino Laatikainen; Jukka Gynther","A Proton Relay Process as the Mechanism of Activation of the Histamine H3-Receptor Determined by 1H NMR and ab Initio Quantum Mechanical Calculations","Journal of the American Chemical Society","2000","122","","6989","6996","10.1021/ja993322f","","","0.71073","MoKα","","0.0932","0.0492","","","0.081","0.0923","","","","","","1.025","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116102","7.554","0.001","12.998","0.001","17.782","0.001","90","","90","","90","","1746","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2(S)-amino-3-(1H-imidazol-4(5)-yl)propyl 4-bromobenzyl ether dihydrochloride","","- C13 H18 Br Cl2 N3 O -","- C13 H18 Br Cl2 N3 O -","- C52 H72 Br4 Cl8 N12 O4 -","4","1","","Jari T. Kovalainen; Johannes A. M. Christiaans; Risto Ropponen; Antti Poso; Mikael Peräkylä; Jouko Vepsäläinen; Reino Laatikainen; Jukka Gynther","A Proton Relay Process as the Mechanism of Activation of the Histamine H3-Receptor Determined by 1H NMR and ab Initio Quantum Mechanical Calculations","Journal of the American Chemical Society","2000","122","","6989","6996","10.1021/ja993322f","","","0.71073","MoKα","","0.0875","0.0496","","","0.0806","0.0914","","","","","","1.058","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116103","13.2095","0.0005","23.9347","0.0005","25.5398","0.001","90","","90","","90","","8074.8","0.5","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H26 B Cl8 Cu F4 N4 -","- C34 H26 B Cl8 Cu F4 N4 -","- C272 H208 B8 Cl64 Cu8 F32 N32 -","8","1","","Christopher J. Sanders; Kevin M. Gillespie; David Bell; Peter Scott","Structural Origins of a Dramatic Variation in Catalyst Efficiency in Enantioselective Alkene Aziridination: Implications for Design of Ligands Based on Chiral Biaryldiamines","Journal of the American Chemical Society","2000","122","","7132","7133","10.1021/ja994353d","","","0.71073","MoKα","","0.102","0.0895","","","0.264","0.2723","","","","","","2.131","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116104","11.4466","0.0006","18.114","0.0009","19.5085","0.0006","69.387","0.001","78.246","0.001","82.443","0.001","3698.7","0.3","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C75 H82 Cl2 Cu2 F6 N4 O6 S2 -","- C75 H82 Cl2 Cu2 F6 N4 O6 S2 -","- C150 H164 Cl4 Cu4 F12 N8 O12 S4 -","2","1","","Christopher J. Sanders; Kevin M. Gillespie; David Bell; Peter Scott","Structural Origins of a Dramatic Variation in Catalyst Efficiency in Enantioselective Alkene Aziridination: Implications for Design of Ligands Based on Chiral Biaryldiamines","Journal of the American Chemical Society","2000","122","","7132","7133","10.1021/ja994353d","","","0.71073","MoKα","","0.0686","0.0536","","","0.1247","0.1387","","","","","","1.07","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116105","11.537","0.005","12.256","0.005","14.568","0.006","85.023","0.008","72.66","0.008","71.03","0.007","1859.4","1.4","297","2","297","2","","","","","","","","6","P -1","-P 1","2","2a","1,2-bis[6-(1-oxyl-3-oxide-4,4,5,5-tetramethylimidazolin -2-yl)-2-methyl-1-benzothiophen-3-yl]hexafluorocyclopentene","","- C37 H36 F6 N4 O4 S2 -","- C37 H36 F6 N4 O4 S2 -","- C74 H72 F12 N8 O8 S4 -","2","1","","Kenji Matsuda; Masahiro Irie","A Diarylethene with Two Nitronyl Nitroxides: Photoswitching of Intramolecular Magnetic Interaction","Journal of the American Chemical Society","2000","122","","7195","7201","10.1021/ja000605v","","","0.71073","MoKα","","0.2136","0.0859","","","0.2112","0.2704","","","","","","0.929","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116106","12.2767","0.0018","23.85","0.004","26.549","0.004","90","","90.513","0.003","90","","7773","2","111","2","111","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2b","3,3,4,4,5,5-hexafluoro-11,20-bis(1-oxyl-3-oxide-4,4,5,5-tetramethylimidazolin-2-yl)-15,16-dimethyl-14,17-dithiahexacyclo[14.7.0.0^2,6^.0^7,15^.0^8,13^.0^18,23^]tricosa-1(2),6(7),8(13),9,11,18(23),19,21-octane","","- C38 H38 Cl2 F6 N4 O4 S2 -","- C38 H38 Cl2 F6 N4 O4 S2 -","- C304 H304 Cl16 F48 N32 O32 S16 -","8","2","","Kenji Matsuda; Masahiro Irie","A Diarylethene with Two Nitronyl Nitroxides: Photoswitching of Intramolecular Magnetic Interaction","Journal of the American Chemical Society","2000","122","","7195","7201","10.1021/ja000605v","","","0.71073","MoKα","","0.1375","0.1153","","","0.2893","0.3026","","","","","","1.177","","","","has coordinates,has disorder","211399","2020-10-21","18:00:00",""
"4116107","11.113","0.001","4.1207","0.0006","19.5511","0.0008","90","","101.064","0.001","90","","878.67","0.15","295.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 O2 -","- C24 H16 O2 -","- C48 H32 O4 -","2","0.5","","Yoshihiro Yamaguchi; Shigeya Kobayashi; Tateaki Wakamiya; Yoshio Matsubara; Zen-ichi Yoshida","A Simple Hybrid Cyclyne Consisting of 1,3-Diethynylbenzene and Ether Units: Synthesis and Novel Ag±Induced Cyclization Leading to the Perylene Skeleton Formation","Journal of the American Chemical Society","2000","122","","7404","7405","10.1021/ja000822w","","","0.7107","MoKα","","","0.0512","","","","0.1548","","","","","","1.204","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116108","9.344","0.002","6.3811","0.0009","13.484","0.001","90","","102.601","0.008","90","","784.6","0.2","293.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 O2 -","- C24 H16 O2 -","- C48 H32 O4 -","2","0.5","","Yoshihiro Yamaguchi; Shigeya Kobayashi; Tateaki Wakamiya; Yoshio Matsubara; Zen-ichi Yoshida","A Simple Hybrid Cyclyne Consisting of 1,3-Diethynylbenzene and Ether Units: Synthesis and Novel Ag±Induced Cyclization Leading to the Perylene Skeleton Formation","Journal of the American Chemical Society","2000","122","","7404","7405","10.1021/ja000822w","","","0.7107","MoKα","","","0.0501","","","","0.1458","","","","","","1.202","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116109","8.394","0.001","14.177","0.002","8.089","0.002","93.2","0.02","96.77","0.02","98.74","0.01","942.1","0.3","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H42 Ir2 O12 -","- C76 H104 Ir4 O24 -","- C76 H104 Ir4 O24 -","1","0.5","","Takaya Matsumoto; Douglas J. Taube; Roy A. Periana; Henry Taube; Hajime Yoshida","Anti-Markovnikov Olefin Arylation Catalyzed by an Iridium Complex","Journal of the American Chemical Society","2000","122","","7414","7415","10.1021/ja0009830","","","0.7107","MoKα","","0.0349","0.0349","","","0.0375","0.0375","","","","","","0.741","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116110","9.0244","0.0006","13.3106","0.0009","17.907","0.001","90","","102.505","0.001","90","","2100","0.2","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cl Fe N4 O2 -","- C21 H19 Cl Fe N4 O2 -","- C84 H76 Cl4 Fe4 N16 O8 -","4","1","","Salma Kiani; Amy Tapper; Richard J. Staples; Pericles Stavropoulos","Functional Aspects of Gif-Type Oxidation of Hydrocarbons Mediated by Iron Picolinate H2O2-Dependent Systems: Evidence for the Generation of Carbon- and Oxygen-Centered Radicals","Journal of the American Chemical Society","2000","122","","7503","7517","10.1021/ja000063h","","","0.71073","MoKα","","0.0656","0.034","","","0.0508","0.0528","","","","","","1.177","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116111","9.589","0.003","14.297","0.005","12.09","0.003","90","","93.04","0.02","90","","1655.1","0.9","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Fe2 N6 O10 -","- C30 H30 Fe2 N6 O10 -","- C60 H60 Fe4 N12 O20 -","2","0.5","","Salma Kiani; Amy Tapper; Richard J. Staples; Pericles Stavropoulos","Functional Aspects of Gif-Type Oxidation of Hydrocarbons Mediated by Iron Picolinate H2O2-Dependent Systems: Evidence for the Generation of Carbon- and Oxygen-Centered Radicals","Journal of the American Chemical Society","2000","122","","7503","7517","10.1021/ja000063h","","","0.71073","MoKα","","0.0835","0.0523","","","0.1379","0.1645","","","","","","1.058","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116112","9.048","0.002","6.237","0.0007","14.285","0.004","90","","107.89","0.02","90","","767.2","0.3","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Fe N2 O6 -","- C14 H16 Fe N2 O6 -","- C28 H32 Fe2 N4 O12 -","2","0.5","","Salma Kiani; Amy Tapper; Richard J. Staples; Pericles Stavropoulos","Functional Aspects of Gif-Type Oxidation of Hydrocarbons Mediated by Iron Picolinate H2O2-Dependent Systems: Evidence for the Generation of Carbon- and Oxygen-Centered Radicals","Journal of the American Chemical Society","2000","122","","7503","7517","10.1021/ja000063h","","","0.71073","MoKα","","0.0407","0.0267","","","0.0623","0.0643","","","","","","1.08","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116113","5.121","0.003","7.587","0.004","9.193","0.005","75.347","0.009","84.627","0.009","71.767","0.009","328.2","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Fe N2 O6 -","- C12 H12 Fe N2 O6 -","- C12 H12 Fe N2 O6 -","1","0.5","","Salma Kiani; Amy Tapper; Richard J. Staples; Pericles Stavropoulos","Functional Aspects of Gif-Type Oxidation of Hydrocarbons Mediated by Iron Picolinate H2O2-Dependent Systems: Evidence for the Generation of Carbon- and Oxygen-Centered Radicals","Journal of the American Chemical Society","2000","122","","7503","7517","10.1021/ja000063h","","","0.71073","MoKα","","0.0352","0.033","","","0.089","0.0911","","","","","","1.183","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116114","19.67","0.009","8.913","0.003","9.469","0.004","90","","96.66","0.01","90","","1648.9","1.2","213","2","213","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H30 Fe2 N6 O11 -","- C30 H30 Fe2 N6 O11 -","- C60 H60 Fe4 N12 O22 -","2","0.5","","Salma Kiani; Amy Tapper; Richard J. Staples; Pericles Stavropoulos","Functional Aspects of Gif-Type Oxidation of Hydrocarbons Mediated by Iron Picolinate H2O2-Dependent Systems: Evidence for the Generation of Carbon- and Oxygen-Centered Radicals","Journal of the American Chemical Society","2000","122","","7503","7517","10.1021/ja000063h","","","0.71073","MoKα","","0.023","0.022","","0.0584","0.0577","","","","1.04","1.041","1.041","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116115","13.7241","0.0003","13.7241","0.0003","18.2281","0.0003","90","","90","","120","","2973.31","0.1","213","2","213","2","","","","","","","","5","P 64","P 64","172","","","","- C20.5 H14.5 Fe N3.5 O6 -","- C20.5 H14.5 Fe N3.5 O6 -","- C123 H87 Fe6 N21 O36 -","6","1","","Salma Kiani; Amy Tapper; Richard J. Staples; Pericles Stavropoulos","Functional Aspects of Gif-Type Oxidation of Hydrocarbons Mediated by Iron Picolinate H2O2-Dependent Systems: Evidence for the Generation of Carbon- and Oxygen-Centered Radicals","Journal of the American Chemical Society","2000","122","","7503","7517","10.1021/ja000063h","","","0.71073","MoKα","","0.053","0.0405","","","0.1046","0.1155","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116116","17.904","0.0006","24.04","0.001","24.955","0.001","90","","90","","90","","10740.9","0.7","213","2","213","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C26 H22 Fe2 N4 O10 -","- C26 H22 Fe2 N4 O10 -","- C416 H352 Fe32 N64 O160 -","16","0.5","","Salma Kiani; Amy Tapper; Richard J. Staples; Pericles Stavropoulos","Functional Aspects of Gif-Type Oxidation of Hydrocarbons Mediated by Iron Picolinate H2O2-Dependent Systems: Evidence for the Generation of Carbon- and Oxygen-Centered Radicals","Journal of the American Chemical Society","2000","122","","7503","7517","10.1021/ja000063h","","","0.71073","MoKα","","0.0993","0.0352","","","0.0483","0.0522","","","","","","1.006","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116117","10.464","0.001","12.395","0.001","6.433","0.0006","99.332","0.008","101.209","0.009","95.744","0.008","800.12","0.13","293.2","","293.2","","","","","","","","","3","P -1","-P 1","2","","","","- C44 H30 N4 -","- C44 H30 N4 -","- C44 H30 N4 -","1","0.5","","Koji Kano; Kazuya Fukuda; Hideo Wakami; Ryuhei Nishiyabu; Robert F. Pasternack","Factors Influencing Self-Aggregation Tendencies of Cationic Porphyrins in Aqueous Solution","Journal of the American Chemical Society","2000","122","","7494","7502","10.1021/ja000738g","","","0.7107","MoK\Ja","","0.0437","0.044","","0.044","","0.044","","","1.144","","","1.14","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116118","37.314","0.004","5.008","0.005","25.474","0.005","90","","127.184","0.007","90","","3793","4","293.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 Cl4 N4 -","- C40 H50 Cl4 N4 -","- C160 H200 Cl16 N16 -","4","0.5","","Koji Kano; Kazuya Fukuda; Hideo Wakami; Ryuhei Nishiyabu; Robert F. Pasternack","Factors Influencing Self-Aggregation Tendencies of Cationic Porphyrins in Aqueous Solution","Journal of the American Chemical Society","2000","122","","7494","7502","10.1021/ja000738g","","","0.7107","MoKα","","","0","","","","0.051","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116119","10.6911","0.0005","24.4434","0.0011","29.7425","0.0013","90","","90","","90","","7772.5","0.6","91","2","91","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Rh2(TBSP)4(DMF)2].0.5toluene.0.5n-pentane","tetrakis[1-[(4-tert-butylphenyl)sulfonyl] -(2S)-pyrrolidinecarboxylate]dirhodium(II)","","- C72 H104 N6 O18 Rh2 S4 -","- C72 H104 N6 O18 Rh2 S4 -","- C288 H416 N24 O72 Rh8 S16 -","4","1","","Dolores C. Wynne; Marilyn M. Olmstead; Philip G. Jessop","Supercritical and Liquid Solvent Effects on the Enantioselectivity of Asymmetric Cyclopropanation with Tetrakis[1-[(4-tert-butylphenyl)- sulfonyl]-(2S)-pyrrolidinecarboxylate]dirhodium(II)","Journal of the American Chemical Society","2000","122","","7638","7647","10.1021/ja000894n","","","0.71073","MoKα","","0.131","0.059","","","0.1096","0.1306","","","","","","0.902","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116120","8.0696","0.0006","9.8315","0.0007","10.8759","0.0008","73.119","0.001","72.563","0.001","66.184","0.001","738.79","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","2(1a).2(2a)","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","","Leonard R. MacGillivray; Jennifer L. Reid; John A. Ripmeester","Supramolecular Control of Reactivity in the Solid State Using Linear Molecular Templates","Journal of the American Chemical Society","2000","122","","7817","7818","10.1021/ja001239i","","","0.7107","MoKα","","0.0952","0.0542","","0.1463","0.125","","","","1.034","1.111","1.111","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116121","11.366","0.0014","9.7488","0.0013","14.273","0.002","90","","111.668","0.003","90","","1469.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2(1a).3a","","","- C36 H32 N4 O4 -","- C36 H32 N4 O4 -","- C72 H64 N8 O8 -","2","0.5","","Leonard R. MacGillivray; Jennifer L. Reid; John A. Ripmeester","Supramolecular Control of Reactivity in the Solid State Using Linear Molecular Templates","Journal of the American Chemical Society","2000","122","","7817","7818","10.1021/ja001239i","","","0.7107","MoKα","","0.1274","0.0635","","0.1585","0.1288","","","","1.022","1.151","1.151","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116122","9.5735","0.0006","11.3886","0.0007","15.0387","0.0009","90","","94.317","0.001","90","","1635","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2(1b).2(2a)","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Leonard R. MacGillivray; Jennifer L. Reid; John A. Ripmeester","Supramolecular Control of Reactivity in the Solid State Using Linear Molecular Templates","Journal of the American Chemical Society","2000","122","","7817","7818","10.1021/ja001239i","","","0.7107","MoKα","","0.038","0.0325","","0.0858","0.0824","","","","1.084","1.125","1.125","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116123","7.4833","0.0007","10.0186","0.001","10.5994","0.001","79.811","0.002","73.146","0.002","77.686","0.002","737.38","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","2(1a).2(2b)","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","","Leonard R. MacGillivray; Jennifer L. Reid; John A. Ripmeester","Supramolecular Control of Reactivity in the Solid State Using Linear Molecular Templates","Journal of the American Chemical Society","2000","122","","7817","7818","10.1021/ja001239i","","","0.7107","MoKα","","0.0794","0.0659","","0.2004","0.1819","","","","0.906","0.959","0.959","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116124","9.4598","0.001","9.4703","0.001","13.7442","0.0014","83.164","0.002","72.181","0.002","67.893","0.002","1086","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","2(1b).2(2c)","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C54 H48 N4 O6 -","2","1","","Leonard R. MacGillivray; Jennifer L. Reid; John A. Ripmeester","Supramolecular Control of Reactivity in the Solid State Using Linear Molecular Templates","Journal of the American Chemical Society","2000","122","","7817","7818","10.1021/ja001239i","","","0.7107","MoKα","","0.1101","0.0594","","0.1824","0.1514","","","","0.84","0.976","0.976","","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116125","15.639","0.003","15.996","0.003","16.538","0.003","82.77","0.03","61.95","0.03","60.97","0.03","3164.3","1.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Anilinium Tetrakis[benzilato(2-)-O1,O2]-my-oxo-disilicate-Diacetonitrile","","- C72 H62 N4 O13 Si2 -","- C72 H62 N4 O13 Si2 -","- C144 H124 N8 O26 Si4 -","2","1","","Reinhold Tacke; Christian Burschka; Ingo Richter; Brigitte Wagner; Reiner Willeke","Pentacoordinate Silicon Compounds with SiO5Skeletons Containing SiOH or SiOSi Groups: Derivatives of the Pentahydroxosilicate(1-) Anion [Si(OH)5]-and Its Anhydride [(HO)4Si-O-Si(OH)4]2-","Journal of the American Chemical Society","2000","122","","8480","8485","10.1021/ja000637i","","","0.71073","MoKα","","0.0581","0.0346","","","0.0759","0.0822","","","","","","0.886","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116126","10.863","0.002","11.12","0.002","14.495","0.003","82.02","0.03","86.46","0.03","64.36","0.03","1563.2","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Triethylammonium Bis[benzilato(2-)-O1,O2]hydroxosilicate","","- C34 H37 N O7 Si -","- C34 H37 N O7 Si -","- C68 H74 N2 O14 Si2 -","2","1","","Reinhold Tacke; Christian Burschka; Ingo Richter; Brigitte Wagner; Reiner Willeke","Pentacoordinate Silicon Compounds with SiO5Skeletons Containing SiOH or SiOSi Groups: Derivatives of the Pentahydroxosilicate(1-) Anion [Si(OH)5]-and Its Anhydride [(HO)4Si-O-Si(OH)4]2-","Journal of the American Chemical Society","2000","122","","8480","8485","10.1021/ja000637i","","","0.71073","MoKα","","0.0656","0.0479","","","0.12","0.1284","","","","","","0.955","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116127","11.3633","0.0014","12.5129","0.0013","11.8372","0.0014","90","","91.155","0.015","90","","1682.8","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Anilinium Bis[benzilato(2-)-O1,O2]hydroxosilicate-Tetrahydrofuran","","- C38 H37 N O8 Si -","- C38 H37 N O8 Si -","- C76 H74 N2 O16 Si2 -","2","1","","Reinhold Tacke; Christian Burschka; Ingo Richter; Brigitte Wagner; Reiner Willeke","Pentacoordinate Silicon Compounds with SiO5Skeletons Containing SiOH or SiOSi Groups: Derivatives of the Pentahydroxosilicate(1-) Anion [Si(OH)5]-and Its Anhydride [(HO)4Si-O-Si(OH)4]2-","Journal of the American Chemical Society","2000","122","","8480","8485","10.1021/ja000637i","","","0.71073","MoKα","","0.0519","0.0413","","","0.0991","0.1034","","","","","","0.998","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116128","23.7736","0.0005","33.099","0.0004","28.179","0.0006","90","","108.096","0.001","90","","21076.8","0.7","173","","173","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C102 H94 Cl F6 N4 O15 P4 Pt2 S2 -","- C102 H83 Cl F6 N4 O14 P4 Pt2 S2 -","- C816 H664 Cl8 F48 N32 O112 P32 Pt16 S16 -","8","1","","Nathan C. Gianneschi; Edward R. T. Tiekink; Louis M. Rendina","Dinuclear Platinum Complexes with Hydrogen-Bonding Functionality: Noncovalent Assembly of Nanoscale Cyclic Arrays","Journal of the American Chemical Society","2000","122","","8474","8479","10.1021/ja994483m","","","0.7107","MoKα","","","0.084","","","","0.11","","","","","","2.52","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116129","35.2023","0.0019","6.0715","0.0004","10.471","0.0009","90","","101.414","0.006","90","","2193.7","0.3","571","2","571","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H31 N O4 -","- C21 H31 N O4 -","- C84 H124 N4 O16 -","4","1","","James D. White; Jungchul Kim; Nicholas E. Drapela","Enantiospecific Synthesis of (+)-Byssochlamic Acid, a Nonadride from the Ascomycete Byssochlamysfulva","Journal of the American Chemical Society","2000","122","","8665","8671","10.1021/ja001898v","","","1.54178","CuKα","","0.0502","0.044","","","0.1145","0.1238","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116130","5.999","0.002","11.212","0.002","13.274","0.003","98.53","0.01","91.64","0.02","96.5","0.02","876.3","0.4","566","2","566","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H27 N O4 -","- C16 H27 N O4 -","- C32 H54 N2 O8 -","2","1","","James D. White; Jungchul Kim; Nicholas E. Drapela","Enantiospecific Synthesis of (+)-Byssochlamic Acid, a Nonadride from the Ascomycete Byssochlamysfulva","Journal of the American Chemical Society","2000","122","","8665","8671","10.1021/ja001898v","","","1.54178","CuKα","","0.0948","0.0803","","","0.2339","0.2555","","","","","","1.78","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116131","9.552","0.002","14.509","0.003","17.781","0.002","90","0.014","90","0.014","90","0.02","2464.3","0.8","293","2","293","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","3',4'-Bis(n-hexyl)-2,2':5',2''-terthiophene 1',1'-dioxide","","- C24 H32 O2 S3 -","- C24 H32 O2 S3 -","- C96 H128 O8 S12 -","4","1","","Luciano Antolini; Emilio Tedesco; Giovanna Barbarella; Laura Favaretto; Giovanna Sotgiu; Massimo Zambianchi; Daniele Casarini; Giuseppe Gigli; Roberto Cingolani","Molecular Packing and Photoluminescence Efficiency in Odd-Membered Oligothiophene S,S-Dioxides","Journal of the American Chemical Society","2000","122","","9006","9013","10.1021/ja000834h","","","0.71069","MoKα","","0.1354","0.0664","","0.1856","0.1591","","","","0.991","1.184","1.184","","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116132","15.287","0.002","8.518","0.003","23.425","0.003","90","0.02","90.625","0.01","90","0.02","3050.1","1.2","200","1","200","1","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","3'',4''-Bis(n-hexyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene 1'',1''-dioxide","","- C32 H36 O2 S5 -","- C32 H36 O2 S5 -","- C128 H144 O8 S20 -","4","1","","Luciano Antolini; Emilio Tedesco; Giovanna Barbarella; Laura Favaretto; Giovanna Sotgiu; Massimo Zambianchi; Daniele Casarini; Giuseppe Gigli; Roberto Cingolani","Molecular Packing and Photoluminescence Efficiency in Odd-Membered Oligothiophene S,S-Dioxides","Journal of the American Chemical Society","2000","122","","9006","9013","10.1021/ja000834h","","","0.71069","MoKα","","0.1382","0.0797","","0.2346","0.2057","","","","1.044","1.205","1.205","","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116133","10.614","0.002","13.133","0.002","15.427","0.002","96.67","0.02","109.2","0.02","107.43","0.02","1881.8","0.7","200","1","200","1","","","","","","","synthesis","4","P -1","-P 1","2","","3''',4'''-Bis(n-hexyl)-2,2':5',2'':5'',2''':5''',2'''':5'''',2''''': 5''''',2''''''-heptathiophene 1''',1'''-dioxide","","- C40 H40 O2 S7 -","- C40 H40 O2 S7 -","- C80 H80 O4 S14 -","2","1","","Luciano Antolini; Emilio Tedesco; Giovanna Barbarella; Laura Favaretto; Giovanna Sotgiu; Massimo Zambianchi; Daniele Casarini; Giuseppe Gigli; Roberto Cingolani","Molecular Packing and Photoluminescence Efficiency in Odd-Membered Oligothiophene S,S-Dioxides","Journal of the American Chemical Society","2000","122","","9006","9013","10.1021/ja000834h","","","0.71069","MoKα","","0.097","0.0792","","0.2293","0.2125","","","","1.118","1.189","1.189","","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116134","23.807","0.005","13.334","0.004","11.354","0.006","90","","90","","90","","3604","2","296.2","","296.2","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H24 O2 -","- C21 H24 O2 -","- C168 H192 O16 -","8","1","","Eiji Shirakawa; Yoshiaki Nakao; Hiroto Yoshida; Tamejiro Hiyama","Nickel-Catalyzed Acylstannylation of 1,3-Dienes: Synthesis and Reaction of ε-Oxoallylstannanes","Journal of the American Chemical Society","2000","122","","9030","9031","10.1021/ja0020409","","","0.7107","MoKα","","","0.043","","","","0.026","","","","","","1.78","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116135","18.7297","0.0006","37.2711","0.0001","7.3366","0.0003","90","","90","","90","","5121.5","0.3","213","2","213","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","(2R,4aS,12aR)-8-Allyloxy-2-(dimethyl-phenyl-silanyl)-4a-methyl-2,3,5,6,12,12a- hexahydro-1H,4aH-chrysene-4,11-dione","","- C30 H34 O3 Si -","- C30 H34 O3 Si -","- C240 H272 O24 Si8 -","8","1","","Brian M. Stoltz; Taichi Kano; E. J. Corey","Enantioselective Total Synthesis of Nicandrenones","Journal of the American Chemical Society","2000","122","","9044","9045","10.1021/ja0024892","","","0.71073","MoKα","","0.1119","0.0609","","","0.1465","0.1779","","","","","","1.044","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116136","10.429","0.002","21.129","0.004","12.695","0.004","90","","106.129","0.014","90","","2687.3","1.1","188","2","188","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C40 H46 Cl3 N12 Ni2 O11 -","- C42.034 H49.966 Cl3 N11.966 Ni2 O17.466 -","- C84.068 H99.932 Cl6 N23.932 Ni4 O34.932 -","2","0.5","","Amy M. Barrios; Stephen J. Lippard","Interaction of Urea with a Hydroxide-Bridged Dinuclear Nickel Center: An Alternative Model for the Mechanism of Urease","Journal of the American Chemical Society","2000","122","","9172","9177","10.1021/ja000202v","","","0.71073","MoKα","","0.1219","0.0659","","","0.1658","0.1902","","","","","","1.122","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116137","13.52","0.014","12.434","0.009","31.21","0.03","90","","100.938","0.011","90","","5151","8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H51 N7 Ni2 O11 S2 -","- C51 H52 N7 Ni2 O12 S2 -","- C204 H208 N28 Ni8 O48 S8 -","4","1","","Amy M. Barrios; Stephen J. Lippard","Interaction of Urea with a Hydroxide-Bridged Dinuclear Nickel Center: An Alternative Model for the Mechanism of Urease","Journal of the American Chemical Society","2000","122","","9172","9177","10.1021/ja000202v","","","0.71073","MoKα","","0.1321","0.0598","","","0.1429","0.1586","","","","","","0.874","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116138","14.91","0.003","24.128","0.002","10.014","0.002","90","","90","","90","","3602.5","1.1","294.2","","294.2","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 B Mo N6 O3 P -","- C30 H48 B Mo N6 O3 P -","- C120 H192 B4 Mo4 N24 O12 P4 -","4","1","","Paul D. Smith; Andrew J. Millar; Charles G. Young; Amit Ghosh; Partha Basu","Detection, Isolation, and Characterization of Intermediates in Oxygen Atom Transfer Reactions in Molybdoenzyme Model Systems","Journal of the American Chemical Society","2000","122","","9298","9299","10.1021/ja0008362","","","0.7107","MoKα","","","0.0388","","","","0.0469","","","","","","1.657","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116139","6.4928","0.0001","6.06","0.0002","7.803","0.0003","90","","90","","90","","307.02","0.016","130","2","130","2","","","","","","","Fluka","3","P b c a","-P 2ac 2ab","61","Oxalic acid","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0455","0.0415","","0.1066","0.1046","","","","1.193","1.248","1.248","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116140","5.1604","0.0006","5.3319","0.0005","8.1838","0.0009","108.083","0.002","101.28","0.002","95.23","0.002","207.11","0.04","130","2","130","2","","","","","","","Fluka","3","P -1","-P 1","2","Malonic acid","Propane-1,3-dioic acid","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0891","0.0755","","0.1963","0.1864","","","","1.005","1.131","1.131","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116141","5.4769","0.0004","8.7817","0.0007","5.028","0.0003","90","","92.928","0.002","90","","241.51","0.03","130","2","130","2","","","","","","","Fluka","3","P 1 21/c 1","-P 2ybc","14","Succinic acid","Butane-1,4-dioic acid","","- C4 H6 O4 -","- C2 H3 O2 -","- C8 H12 O8 -","4","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0519","0.0487","","0.1323","0.1295","","","","1.139","1.182","1.182","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116142","12.9769","0.0006","4.7484","0.0002","9.6955","0.0004","90","","98.304","0.002","90","","591.17","0.04","130","2","130","2","","","","","","","Fluka","3","C 1 2/c 1","-C 2yc","15","Glutaric acid","Pentane-1,5-dioic acid","","- C5 H8 O4 -","- C2.5 H4 O2 -","- C20 H32 O16 -","8","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0589","0.0464","","0.1253","0.1162","","","","0.99","1.062","1.062","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116143","7.187","0.0014","5.1626","0.0011","10.015","0.002","90","","110.856","0.006","90","","347.25","0.12","130","2","130","2","","","","","","","fluka","3","P 1 21/c 1","-P 2ybc","14","Adipic acid","Hexane-1,6-dioic acid","","- C6 H10 O4 -","- C6 H10 O4 -","- C12 H20 O8 -","2","0.5","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0951","0.0683","","0.2354","0.1932","","","","1.133","1.107","1.107","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116144","17.7028","0.0009","4.727","0.0002","9.6713","0.0004","90","","106.58","0.001","90","","775.66","0.06","130","2","130","2","","","","","","","Fluka","3","C 1 2/c 1","-C 2yc","15","Pimelic acid","Heptane-1,7-dioic acid","","- C7 H14 O4 -","- C3.5 H6 O2 -","- C28 H48 O16 -","8","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0621","0.0507","","0.127","0.1207","","","","0.979","1.094","1.094","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116145","8.7912","0.0007","5.0681","0.0004","9.8995","0.0008","90","","96.083","0.002","90","","438.59","0.06","130","2","130","2","","","","","","","Fluka","3","P 1 21/c 1","-P 2ybc","14","Suberic acid","Octane-1,8-dioic acid","","- C8 H14 O4 -","- C4 H7 O2 -","- C16 H28 O8 -","4","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0679","0.0525","","0.1315","0.1231","","","","1.068","1.163","1.163","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116146","22.6366","0.0001","4.7143","0.0001","9.6162","0.0003","90","","110.809","0.002","90","","959.26","0.04","130","2","130","2","","","","","","","Fluka","3","C 1 2/c 1","-C 2yc","15","Azelaic acid","Nonane-1,9-dioic acid","","- C9 H16 O4 -","- C4.5 H8 O2 -","- C36 H64 O16 -","8","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0701","0.0454","","0.1187","0.108","","","","0.997","1.096","1.096","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116147","10.9106","0.0004","5.0109","0.0002","9.7936","0.0001","90","","93.451","0.001","90","","534.46","0.03","130","2","130","2","","","","","","","Fluka","3","P 1 21/c 1","-P 2ybc","14","Sebacic acid","Decane-1,10-dioic acid","","- C10 H18 O4 -","- C5 H9 O2 -","- C20 H36 O8 -","4","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0775","0.0552","","0.1431","0.1322","","","","0.968","1.097","1.097","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116148","6.5594","0.0005","6.094","0.0005","7.8524","0.0006","90","","90","","90","","313.88","0.04","298","2","298","2","","","","","","","Fluka","3","P b c a","-P 2ac 2ab","61","Oxalic acid","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C H O2 -","- C8 H8 O16 -","8","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.036","0.0343","","0.0932","0.0925","","","","1.111","1.162","1.162","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116149","5.1626","0.0006","5.3452","0.0006","8.4162","0.0012","108.516","0.002","100.603","0.002","94.954","0.001","213.84","0.05","298","2","298","2","","","","","","","Fluka","3","P -1","-P 1","2","Malonic acid","Propane-1,3-dioic acid","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.046","0.0416","","0.1214","0.1142","","","","1.046","1.08","1.08","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116150","5.5261","0.0004","8.8807","0.0006","5.1051","0.0004","90","","91.49","0.002","90","","250.45","0.03","298","2","298","2","","","","","","","Fluka","3","P 1 21/c 1","-P 2ybc","14","Succinic acid","Butane-1,4-dioic acid","","- C4 H6 O4 -","- C2 H3 O2 -","- C8 H12 O8 -","4","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0457","0.0423","","0.1143","0.1123","","","","1.105","1.171","1.171","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116151","12.968","0.003","4.8296","0.0012","9.982","0.002","90","","96.872","0.006","90","","620.7","0.2","298","2","298","2","","","","","","","Fluka","3","C 1 2/c 1","-C 2yc","15","Glutaric acid","Pentane-1,5-dioic acid","","- C5 H8 O4 -","- C2.5 H4 O2 -","- C20 H32 O16 -","8","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0471","0.0415","","0.1267","0.1196","","","","1.046","1.109","1.109","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116152","7.3712","0.0002","5.154","0.0002","10.1449","0.0004","90","","112.36","0.002","90","","356.44","0.02","298","2","298","2","","","","","","","fluka","3","P 1 21/c 1","-P 2ybc","14","Adipic acid","Hexane-1,6-dioic acid","","- C6 H10 O4 -","- C3 H5 O2 -","- C12 H20 O8 -","4","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0751","0.0526","","0.1466","0.1299","","","","0.972","1.08","1.08","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116153","5.6482","0.0004","9.6538","0.0006","16.0217","0.0011","90","","108.018","0.001","90","","830.77","0.1","298","2","298","2","","","","","","","Fluka","3","P 1 21/c 1","-P 2ybc","14","Pimelic acid","Heptane-1,7-dioic acid","","- C7 H14 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.1023","0.0645","","0.1831","0.1534","","","","0.9","1.076","1.076","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116154","17.6631","0.0011","4.789","0.0003","9.8882","0.0007","90","","105.612","0.002","90","","805.57","0.09","298","2","298","2","","","","","","","Fluka","3","C 1 2/c 1","-C 2yc","15","Pimelic acid","Heptane-1,7-dioic acid","","- C7 H14 O4 -","- C3.5 H6 O2 -","- C28 H48 O16 -","8","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0599","0.0502","","0.1438","0.129","","","","1.03","1.116","1.116","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116155","8.98","0.004","5.063","0.0014","10.106","0.003","90","","98.18","0.04","90","","454.8","0.3","298","2","298","2","","","","","","","Fluka","3","P 1 21/c 1","-P 2ybc","14","Suberic acid","Octane-1,8-dioic acid","","- C8 H14 O4 -","- C4 H7 O2 -","- C16 H28 O8 -","4","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0725","0.0582","","0.1475","0.1396","","","","0.911","1.053","1.053","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116156","22.593","0.002","4.7804","0.0005","9.8445","0.001","90","","109.934","0.002","90","","999.54","0.17","298","2","298","2","","","","","","","Fluka","3","C 1 2/c 1","-C 2yc","15","Azelaic acid","Nonane-1,9-dioic acid","","- C9 H16 O4 -","- C4.5 H8 O2 -","- C36 H64 O16 -","8","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.094","0.0498","","0.1454","0.1179","","","","0.888","1.083","1.083","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116157","10.6208","0.0006","18.2546","0.0011","24.4927","0.0014","90","","100.601","0.0011","90","","4667.6","0.5","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H65 Al2 N3 O P2 Si2 -","- C46 H65 Al2 N3 O P2 Si2 -","- C184 H260 Al8 N12 O4 P8 Si8 -","4","1","","Kasani Aparna; Robert McDonald; Ronald G. Cavell","Carbon-Carbon Double Bond Formation Reactions of the Unique Spirocyclic Aluminum Bis(iminophosphorano) Methandiide Complex: Insertion of Heteroallenes into Aluminum-Carbon Bonds","Journal of the American Chemical Society","2000","122","","9314","9315","10.1021/ja001445q","","","0.71073","MoKα","","0.0595","0.0412","","","0.1102","0.1178","","","","","","1.038","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116158","12.4477","0.0009","13.2048","0.0009","18.2357","0.0013","91.0447","0.0013","101.967","0.0013","109.623","0.0012","2749.4","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H80 Al2 N4 P2 Si2 -","- C55 H80 Al2 N4 P2 Si2 -","- C110 H160 Al4 N8 P4 Si4 -","2","1","","Kasani Aparna; Robert McDonald; Ronald G. Cavell","Carbon-Carbon Double Bond Formation Reactions of the Unique Spirocyclic Aluminum Bis(iminophosphorano) Methandiide Complex: Insertion of Heteroallenes into Aluminum-Carbon Bonds","Journal of the American Chemical Society","2000","122","","9314","9315","10.1021/ja001445q","","","0.71073","MoKα","","0.0625","0.0466","","","0.1322","0.1428","","","","","","1.045","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116159","22.448","0.005","10.029","0.002","9.4089","0.0014","90","","90","","90","","2118.2","0.7","295","2","295","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C20 H26 Al2 N2 -","- C20 H26 Al2 N2 -","- C80 H104 Al8 N8 -","4","0.5","","Zhengkun Yu; Joanne M. Wittbrodt; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter","Unusually Stable Pyrazolate-Bridged Dialuminum Complexes Containing Bridging Methyl Groups","Journal of the American Chemical Society","2000","122","","9338","9339","10.1021/ja001822z","","","0.71073","MoKα","","0.2015","0.0745","","0.1498","0.1163","","","","1.045","1.31","1.31","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116160","19.4947","0.0001","5.8781","0.0002","17.7056","0.0006","90","","111.701","0.002","90","","1885.12","0.09","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H24 O5 S -","- C18 H24 O5 S -","- C72 H96 O20 S4 -","4","1","","David A. Evans; Tomislav Rovis; Marisa C. Kozlowski; C. Wade Downey; Jason S. Tedrow","Enantioselective Lewis Acid Catalyzed Michael Reactions of Alkylidene Malonates. Catalysis by C2-Symmetric Bis(oxazoline) Copper(II) Complexes in the Synthesis of Chiral, Differentiated Glutarate Esters","Journal of the American Chemical Society","2000","122","","9134","9142","10.1021/ja002246+","","","0.71073","MoKα","","0.0724","0.0615","","","0.1416","0.1447","","","","","","0.975","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116161","13.8276","0.0007","10.7023","0.0005","14.6248","0.0007","90","","112.289","0.001","90","","2002.57","0.17","213","2","213","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C25 H40 Cl2 Cu F12 N2 O6 Sb2 -","- C25 H42 Cl2 Cu F12 N2 O6 Sb2 -","- C50 H84 Cl4 Cu2 F24 N4 O12 Sb4 -","2","1","","David A. Evans; Tomislav Rovis; Marisa C. Kozlowski; C. Wade Downey; Jason S. Tedrow","Enantioselective Lewis Acid Catalyzed Michael Reactions of Alkylidene Malonates. Catalysis by C2-Symmetric Bis(oxazoline) Copper(II) Complexes in the Synthesis of Chiral, Differentiated Glutarate Esters","Journal of the American Chemical Society","2000","122","","9134","9142","10.1021/ja002246+","","","0.71073","MoKα","","0.1357","0.0665","","","0.1681","0.2422","","","","","","0.976","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116162","10.3851","0.0006","14.4993","0.0009","27.0817","0.0017","90","","90","","90","","4077.9","0.4","213","2","213","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H34 Cu F12 N2 O6 Sb -","- C33 H34 Cu F12 N2 O6 Sb2 -","- C132 H136 Cu4 F48 N8 O24 Sb8 -","4","1","","David A. Evans; Tomislav Rovis; Marisa C. Kozlowski; C. Wade Downey; Jason S. Tedrow","Enantioselective Lewis Acid Catalyzed Michael Reactions of Alkylidene Malonates. Catalysis by C2-Symmetric Bis(oxazoline) Copper(II) Complexes in the Synthesis of Chiral, Differentiated Glutarate Esters","Journal of the American Chemical Society","2000","122","","9134","9142","10.1021/ja002246+","","","0.71073","MoKα","","0.1274","0.071","","","0.1403","0.1633","","","","","","1.093","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116163","26.6894","0.0004","16.0571","0.0003","9.9528","0.0001","90","","90","","90","","4265.32","0.11","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H67 B P5 Re -","- C39 H67 B P5 Re -","- C156 H268 B4 P20 Re4 -","4","0.5","","Kamaluddin Abdur-Rashid; Tina P. Fong; Bronwyn Greaves; Dmitry G. Gusev; Justin G. Hinman; Shaun E. Landau; Alan J. Lough; Robert H. Morris","An Acidity Scale for Phosphorus-Containing Compounds Including Metal Hydrides and Dihydrogen Complexes in THF: Toward the Unification of Acidity Scales","Journal of the American Chemical Society","2000","122","","9155","9171","10.1021/ja994428d","","","0.71073","MoKα","","0.0423","0.0316","","","0.081","0.0863","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116164","9.5274","0.0002","15.7802","0.0004","20.4054","0.0004","90","","76.51","0.001","90","","2983.2","0.11","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Cr Mn N3 O12 -","- C26 H21.4 Cr Mn N3 O12 -","- C104 H85.6 Cr4 Mn4 N12 O48 -","4","1","","S. Bénard; P. Yu; J. P. Audière; E. Rivière; R. Clément; J. Guilhem; L. Tchertanov; K. Nakatani","Structure and NLO Properties of Layered Bimetallic Oxalato-Bridged Ferromagnetic Networks Containing Stilbazolium-Shaped Chromophores","Journal of the American Chemical Society","2000","122","","9444","9454","10.1021/ja0002619","","","0.71073","MoKα","","0.0673","0.0498","","0.1243","","0.1108","","","1.122","","","1.169","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116165","9.535","0.001","15.89","0.002","18.229","0.002","90","","83.81","0.009","90","","2745.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cr Mn N O13 -","- C25 H24 Cr Mn N O13 -","- C100 H96 Cr4 Mn4 N4 O52 -","4","1","","S. Bénard; P. Yu; J. P. Audière; E. Rivière; R. Clément; J. Guilhem; L. Tchertanov; K. Nakatani","Structure and NLO Properties of Layered Bimetallic Oxalato-Bridged Ferromagnetic Networks Containing Stilbazolium-Shaped Chromophores","Journal of the American Chemical Society","2000","122","","9444","9454","10.1021/ja0002619","","","0.71073","MoKα","","0.067","0.0507","","0.1249","","0.1037","","","1.161","","","1.216","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116166","9.8502","0.0009","9.8632","0.0008","10.0719","0.0009","73.423","0.001","69.357","0.001","61.209","0.001","794.51","0.12","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H54 In2 O6 -","- C24 H54 In2 O6 -","- C24 H54 In2 O6 -","1","0.5","","Seigi Suh; David M. Hoffman","General Synthesis of Homoleptic Indium Alkoxide Complexes and the Chemical Vapor Deposition of Indium Oxide Films","Journal of the American Chemical Society","2000","122","","9396","9404","10.1021/ja000845a","","","0.71073","MoKα","","0.0399","0.0383","","","0.0993","0.1017","","","","","","1.129","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116167","12.1119","0.0006","13.5007","0.0007","45.6039","0.0024","90","","96.723","0.001","90","","7405.8","0.7","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H132 In4 O12 -","- C60 H120 In4 O12 -","- C240 H480 In16 O48 -","4","1","","Seigi Suh; David M. Hoffman","General Synthesis of Homoleptic Indium Alkoxide Complexes and the Chemical Vapor Deposition of Indium Oxide Films","Journal of the American Chemical Society","2000","122","","9396","9404","10.1021/ja000845a","","","0.71073","MoKα","","0.0546","0.0426","","","0.1012","0.1113","","","","","","1.215","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116168","9.8335","0.0006","11.4492","0.0007","15.4315","0.0009","111.581","0.001","90.335","0.001","93.682","0.001","1611.43","0.17","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H52 In N4 O3.5 -","- C28 H52 In N4 O3.5 -","- C56 H104 In2 N8 O7 -","2","1","","Seigi Suh; David M. Hoffman","General Synthesis of Homoleptic Indium Alkoxide Complexes and the Chemical Vapor Deposition of Indium Oxide Films","Journal of the American Chemical Society","2000","122","","9396","9404","10.1021/ja000845a","","","0.71073","MoKα","","0.0364","0.0344","","","0.0895","0.0918","","","","","","1.046","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116169","24.1308","0.0013","12.6401","0.0007","32.2968","0.0018","90","","102.835","0.001","90","","9604.9","0.9","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47.5 H77 In N2 O3 -","- C47.5 H77 In N2 O3 -","- C380 H616 In8 N16 O24 -","8","1","","Seigi Suh; David M. Hoffman","General Synthesis of Homoleptic Indium Alkoxide Complexes and the Chemical Vapor Deposition of Indium Oxide Films","Journal of the American Chemical Society","2000","122","","9396","9404","10.1021/ja000845a","","","0.71073","MoKα","","0.0289","0.0212","","","0.0511","0.0567","","","","","","1.147","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116170","14.4944","0.0008","16.2071","0.0009","12.6679","0.0007","90","","107.677","0.001","90","","2835.3","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H49 In N2 O3 -","- C25 H49 In N2 O3 -","- C100 H196 In4 N8 O12 -","4","1","","Seigi Suh; David M. Hoffman","General Synthesis of Homoleptic Indium Alkoxide Complexes and the Chemical Vapor Deposition of Indium Oxide Films","Journal of the American Chemical Society","2000","122","","9396","9404","10.1021/ja000845a","","","0.71073","MoKα","","0.025","0.0193","","","0.0505","0.0552","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116171","19.6229","0.0011","11.9153","0.0007","19.3","0.0011","90","","98.961","0.001","90","","4457.5","0.4","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H74 In2 O8 -","- C38.08 H74.18 In2.08 O8 -","- C152.32 H296.72 In8.32 O32 -","4","0.5","","Seigi Suh; David M. Hoffman","General Synthesis of Homoleptic Indium Alkoxide Complexes and the Chemical Vapor Deposition of Indium Oxide Films","Journal of the American Chemical Society","2000","122","","9396","9404","10.1021/ja000845a","","","0.71073","MoKα","","0.0417","0.0318","","","0.0809","0.0902","","","","","","1.109","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116172","12.018","0.0014","8.6571","0.0006","13.973","0.002","90","","90","","90","","1453.8","0.3","295","","295","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C13 H15 F3 Mo O3 S -","- C12.5 H14.5 F2.5 Mo0.5 O2.5 S0.5 -","- C50 H58 F10 Mo2 O10 S2 -","4","0.5","","Christoph Balzarek; Timothy J. R. Weakley; David R. Tyler","C-H Bond Activation in Aqueous Solution: Kinetics and Mechanism of H/D Exchange in Alcohols Catalyzed by Molybdocenes","Journal of the American Chemical Society","2000","122","","9427","9434","10.1021/ja001535v","","","0.71073","MoKα","","0.044","0.029","","0.034","","0.033","","","1.51","","","1.59","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116173","12.2333","0.0016","12.779","0.003","14.8254","0.002","89.398","0.016","73.53","0.015","68.792","0.018","2061","0.7","295.2","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 Mo O5 S -","- C21 H25 Mo O5 S -","- C84 H100 Mo4 O20 S4 -","4","2","","Christoph Balzarek; Timothy J. R. Weakley; David R. Tyler","C-H Bond Activation in Aqueous Solution: Kinetics and Mechanism of H/D Exchange in Alcohols Catalyzed by Molybdocenes","Journal of the American Chemical Society","2000","122","","9427","9434","10.1021/ja001535v","","","0.71073","MoKα","","0.067","0.042","","0.087","","0.043","","","1.36","","","1.46","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116174","13.4968","0.0008","17.822","0.001","21.321","0.001","78.194","0.001","79.992","0.001","87.845","0.001","4943.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H27 B2 F30 N3 O -","- C49 H27 B2 F30 N3 O -","- C196 H108 B8 F120 N12 O4 -","4","2","","Robert E. LaPointe; Gordon R. Roof; Khalil A. Abboud; Jerzy Klosin","New Family of Weakly Coordinating Anions","Journal of the American Chemical Society","2000","122","","9560","9561","10.1021/ja002664e","","","0.71073","MoKα","","0.0954","0.043","","","0.0889","0.1021","","","","","","0.912","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116175","10.264","0.0005","22.276","0.001","12.4462","0.0006","90","","112.857","0.001","90","","2622.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C49 H27 Al2 F30 N3 O -","- C49.002 H27.01 Al2 F30 N3 O -","- C98.004 H54.02 Al4 F60 N6 O2 -","2","0.5","","Robert E. LaPointe; Gordon R. Roof; Khalil A. Abboud; Jerzy Klosin","New Family of Weakly Coordinating Anions","Journal of the American Chemical Society","2000","122","","9560","9561","10.1021/ja002664e","","","0.71073","MoKα","","0.0694","0.0444","","","0.1188","0.1292","","","","","","1.028","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116176","10.199","0.002","10.631","0.002","14.062","0.002","82.49","0.01","69.358","0.01","83.35","0.01","1410.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H32 N11 O11 Pr -","- C18 H32 N11 O11 Pr -","- C36 H64 N22 O22 Pr2 -","2","1","","Myrtil L. Kahn; Jean-Pascal Sutter; Stephane Golhen; Philippe Guionneau; Lahcene Ouahab; Olivier Kahn; Daniel Chasseau","Systematic Investigations of the Nature of the Coupling between a Ln(III) Ion (Ln = Ce(III) to Dy(III)) and Its Aminoxyl Radical Ligands. Structural and Magnetic Characteristics of a Series of {Ln(organic radical)2} Compounds and the Related {Ln(Nitrone)2} Derivatives [J. Am. Chem. Soc.2000,122, 3413-3421].","Journal of the American Chemical Society","2000","122","","9566","9566","","","","0.71073","MoKα","","0.1004","0.0343","","","0.0699","0.0799","","","","","","1.041","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116177","9.3904","0.0016","11.8641","0.0019","25.019","0.004","90","","90","","90","","2787.3","0.8","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-1-(2-methyl-5-phenyl-3-thienyl)-2-[2-(3-methyl-1-penten-1-yl) -5-phenyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopentene","","- C32 H26 F6 S2 -","- C32 H26 F6 S2 -","- C128 H104 F24 S8 -","4","1","","Tetsuhiro Kodani; Kenji Matsuda; Taro Yamada; Seiya Kobatake; Masahiro Irie","Reversible Diastereoselective Photocyclization of a Diarylethene in a Single-Crystalline Phase","Journal of the American Chemical Society","2000","122","","9631","9637","10.1021/ja001350o","","","0.71073","MoKα","","0.055","0.0464","","","0.1151","0.1205","","","","","","1.048","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116178","9.368","0.001","11.8571","0.0012","24.971","0.003","90","","90","","90","","2773.7","0.5","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-1-(2-methyl-5-phenyl-3-thienyl)-2-[2-(3-methyl-1-penten-1-yl) -5-phenyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopentene","","- C32 H26 F6 S2 -","- C32 H26 F6 S2 -","- C128 H104 F24 S8 -","4","1","","Tetsuhiro Kodani; Kenji Matsuda; Taro Yamada; Seiya Kobatake; Masahiro Irie","Reversible Diastereoselective Photocyclization of a Diarylethene in a Single-Crystalline Phase","Journal of the American Chemical Society","2000","122","","9631","9637","10.1021/ja001350o","","","0.71073","MoKα","","0.0574","0.0462","","","0.109","0.1149","","","","","","1.041","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116179","9.399","0.002","11.866","0.003","24.972","0.006","90","","90","","90","","2785.1","1.1","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-1-(2-methyl-5-phenyl-3-thienyl)-2-[2-(3-methyl-1-penten-1-yl) -5-phenyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopentene","","- C32 H26 F6 S2 -","- C32 H26 F6 S2 -","- C128 H104 F24 S8 -","4","1","","Tetsuhiro Kodani; Kenji Matsuda; Taro Yamada; Seiya Kobatake; Masahiro Irie","Reversible Diastereoselective Photocyclization of a Diarylethene in a Single-Crystalline Phase","Journal of the American Chemical Society","2000","122","","9631","9637","10.1021/ja001350o","","","0.71073","MoKα","","0.1184","0.066","","","0.1529","0.1781","","","","","","0.891","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116180","13.5363","0.0002","15.322","0.0002","17.8722","0.0003","90","","90","","90","","3706.75","0.1","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H46 F6 Fe P3 Rh -","- C37 H46 F6 Fe P3 Rh -","- C148 H184 F24 Fe4 P12 Rh4 -","4","1","","Ken Tanaka; Shuang Qiao; Mamoru Tobisu; Michael M.-C. Lo; Gregory C. Fu","Enantioselective Isomerization of Allylic Alcohols Catalyzed by a Rhodium/Phosphaferrocene Complex","Journal of the American Chemical Society","2000","122","","9870","9871","10.1021/ja002471r","","","0.71073","MoKα","","0.0596","0.0463","","0.1357","0.0911","","","","1.127","1.094","1.094","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116181","10.42","0.002","17.208","0.004","7.519","0.002","90","","90","","90","","1348.2","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Masami Sakamoto; Norio Sekine; Hiroko Miyoshi; Takashi Mino; Tsutomu Fujita","Absolute Asymmetric Phthalide Synthesis via the Solid-State Photoreaction of N,N-Disubstituted 2-Benzoylbenzamides Involving a Radical Pair Intermediate","Journal of the American Chemical Society","2000","122","","10210","10211","10.1021/ja001064c","","","1.5418","CuKα","","","0.032","","","0.035","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116182","11.453","0.003","18.572","0.005","8.107","0.002","90","","90","","90","","1724.4","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Masami Sakamoto; Norio Sekine; Hiroko Miyoshi; Takashi Mino; Tsutomu Fujita","Absolute Asymmetric Phthalide Synthesis via the Solid-State Photoreaction of N,N-Disubstituted 2-Benzoylbenzamides Involving a Radical Pair Intermediate","Journal of the American Chemical Society","2000","122","","10210","10211","10.1021/ja001064c","","","1.5418","CuKα","","","0.044","","","0.044","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116183","19.106","0.005","8.019","0.002","11.986","0.003","90","","90.37","0.02","90","","1836.3","0.8","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 N O2 -","- C11 H9.5 N0.5 O -","- C44 H38 N2 O4 -","4","2","","Masami Sakamoto; Norio Sekine; Hiroko Miyoshi; Takashi Mino; Tsutomu Fujita","Absolute Asymmetric Phthalide Synthesis via the Solid-State Photoreaction of N,N-Disubstituted 2-Benzoylbenzamides Involving a Radical Pair Intermediate","Journal of the American Chemical Society","2000","122","","10210","10211","10.1021/ja001064c","","","1.5418","CuKα","","","0.044","","","0.045","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116184","11.021","0.001","7.43","0.002","13.721","0.002","90","0.02","99.04","0.01","90","0.02","1109.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Ag(Py2O)]NO3","","","- C10 H8 Ag N3 O4 -","- C10 H8 Ag N3 O4 -","- C40 H32 Ag4 N12 O16 -","4","1","","Ok-Sang Jung; Yun Ju Kim; Young-A Lee; Jong Ku Park; Hee K. Chae","Smart Molecular Helical Springs as Tunable Receptors","Journal of the American Chemical Society","2000","122","","9921","9925","10.1021/ja001618b","","","0.71073","MoKα","","0.0306","0.0306","","","0.0829","0.0829","","","","","","1.041","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116185","10.483","0.004","8.933","0.001","13.707","0.002","90","0.01","104.72","0.02","90","0.02","1241.5","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Ag(Py2O)]BF4","","","- C10 H8 Ag B F4 N2 O -","- C10 H8 Ag B F4 N2 O -","- C40 H32 Ag4 B4 F16 N8 O4 -","4","1","","Ok-Sang Jung; Yun Ju Kim; Young-A Lee; Jong Ku Park; Hee K. Chae","Smart Molecular Helical Springs as Tunable Receptors","Journal of the American Chemical Society","2000","122","","9921","9925","10.1021/ja001618b","","","0.71073","MoKα","","0.055","0.0547","","","0.147","0.1478","","","","","","1.119","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116186","10.553","0.001","9.034","0.002","13.708","0.002","90","0.02","106.7","0.01","90","0.01","1251.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ag(Py2O)]ClO4","","","- C10 H8 Ag Cl N2 O5 -","- C10 H8 Ag Cl N2 O5 -","- C40 H32 Ag4 Cl4 N8 O20 -","4","1","","Ok-Sang Jung; Yun Ju Kim; Young-A Lee; Jong Ku Park; Hee K. Chae","Smart Molecular Helical Springs as Tunable Receptors","Journal of the American Chemical Society","2000","122","","9921","9925","10.1021/ja001618b","","","0.71073","MoKα","","0.0381","0.0372","","","0.0968","0.0976","","","","","","1.085","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116187","10.575","0.003","9.621","0.002","14.175","0.003","90","0.02","109.8","0.01","90","0.02","1356.9","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ag(Py2O)]PF6","","","- C10 H8 Ag F6 N2 O P -","- C10 H8 Ag F6 N2 O P -","- C40 H32 Ag4 F24 N8 O4 P4 -","4","1","","Ok-Sang Jung; Yun Ju Kim; Young-A Lee; Jong Ku Park; Hee K. Chae","Smart Molecular Helical Springs as Tunable Receptors","Journal of the American Chemical Society","2000","122","","9921","9925","10.1021/ja001618b","","","0.71073","MoKα","","0.0356","0.0352","","","0.0907","0.0911","","","","","","1.217","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116188","19.3462","0.0002","19.3462","0.0002","51.7863","0.0008","90","","90","","120","","16785.6","0.4","138","2","138","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","4","","","- C126 H78 Cl0 N7 O7 P6 Pd2 Tl -","- C125.76 H78 N7 O6.96 P6 Pd2 Tl -","- C754.56 H468 N42 O41.76 P36 Pd12 Tl6 -","6","0.166667","","Vincent J. Catalano; Byron L. Bennett; Renante L. Yson; Bruce C. Noll","Synthesis and Characterization of Pd(0) and Pt(0) Metallocryptands Encapsulating Tl+ Ion","Journal of the American Chemical Society","2000","122","","10056","10062","10.1021/ja001672s","","","0.71073","MoKα","","0.1167","0.0816","","","0.2356","0.2498","","","","","","1.579","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116189","33.6379","0.0005","14.813","0.0001","41.9035","0.0006","90","","107.743","0.001","90","","19886.4","0.4","293","2","138","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","1","","","- C109.25 H63 Cl0.75 N7 O5 P6 Pt2 Tl -","- C109.25 H63 Cl0.75 N7 O5 P6 Pt2 Tl -","- C874 H504 Cl6 N56 O40 P48 Pt16 Tl8 -","8","1","","Vincent J. Catalano; Byron L. Bennett; Renante L. Yson; Bruce C. Noll","Synthesis and Characterization of Pd(0) and Pt(0) Metallocryptands Encapsulating Tl+ Ion","Journal of the American Chemical Society","2000","122","","10056","10062","10.1021/ja001672s","","","0.71073","MoKα","","0.145","0.0642","","","0.1339","0.1606","","","","","","0.966","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116190","19.3694","0.0001","19.3694","0.0001","51.9258","0.0002","90","","90","","120","","16871.2","0.14","138","2","293","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","2","","","- C126 H78 Cl0 N7 O7 P6 Pt2 Tl -","- C125.76 H78 N7 O6.96 P6 Pt2 Tl -","- C754.56 H468 N42 O41.76 P36 Pt12 Tl6 -","6","0.166667","","Vincent J. Catalano; Byron L. Bennett; Renante L. Yson; Bruce C. Noll","Synthesis and Characterization of Pd(0) and Pt(0) Metallocryptands Encapsulating Tl+ Ion","Journal of the American Chemical Society","2000","122","","10056","10062","10.1021/ja001672s","","","0.71073","MoKα","","0.0752","0.0436","","","0.1312","0.1445","","","","","","1.102","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116191","21.1124","0.0008","20.3657","0.0008","26.3042","0.001","90","","102.57","","90","","11038.9","0.7","293","2","138","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","3","","","- C132 H78 F0 N7 O3 P6 Pd2 Tl -","- C132 H78 N7 O3 P6 Pd2 Tl -","- C528 H312 N28 O12 P24 Pd8 Tl4 -","4","0.5","","Vincent J. Catalano; Byron L. Bennett; Renante L. Yson; Bruce C. Noll","Synthesis and Characterization of Pd(0) and Pt(0) Metallocryptands Encapsulating Tl+ Ion","Journal of the American Chemical Society","2000","122","","10056","10062","10.1021/ja001672s","","","0.71073","MoKα","","0.0988","0.0669","","","0.182","0.1984","","","","","","1.045","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116192","8.355","0.002","17.337","0.004","11.351","0.003","90","","96.55","0.02","90","","1633.5","0.7","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H37 Co2 O6 P S -","- C32 H37 Co2 O6 P S -","- C64 H74 Co4 O12 P2 S2 -","2","1","","Xavier Verdaguer; Albert Moyano; Miquel A. Pericàs; Antoni Riera; Miguel Angel Maestro; José Mahía","A New Chiral Bidentate (P,S) Ligand for the Asymmetric Intermolecular Pauson-Khand Reaction","Journal of the American Chemical Society","2000","122","","10242","10243","10.1021/ja001839h","","","0.71073","MoKα","","0.0555","0.0396","","","0.0813","0.0895","","","","","","1.067","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116193","12.793","0.002","13.881","0.002","18.919","0.002","90","","99.501","0.008","90","","3313.5","0.8","296.2","","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Cl F6 N4 O2 P2 Ru -","- C30 H31 Cl F6 N4 O2 P2 Ru -","- C120 H124 Cl4 F24 N16 O8 P8 Ru4 -","4","1","","Dusan Hesek; Guy A. Hembury; Michael G. B. Drew; Seiji Taniguchi; Yoshihisa Inoue","Atropisomer and Diastereomer Generation and Control in Ruthenium Bis(bipyridine) Phosphonite Complexes","Journal of the American Chemical Society","2000","122","","10236","10237","10.1021/ja002117t","","","0.71073","MoKα","","0.0887","0.0432","","","0.1193","0.1402","","","","","","1.016","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116194","12.509","0.014","14.445","0.017","18.52","0.02","90","","100.23","0.01","90","","3293","6","296.2","","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 Cl F6 N4 O3 P2 Ru -","- C29 H31 Cl F6 N4 O3 P2 Ru -","- C116 H124 Cl4 F24 N16 O12 P8 Ru4 -","4","1","","Dusan Hesek; Guy A. Hembury; Michael G. B. Drew; Seiji Taniguchi; Yoshihisa Inoue","Atropisomer and Diastereomer Generation and Control in Ruthenium Bis(bipyridine) Phosphonite Complexes","Journal of the American Chemical Society","2000","122","","10236","10237","10.1021/ja002117t","","","0.71073","MoKα","","0.0724","0.035","","","0.0934","0.1139","","","","","","1.036","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116195","14.612","0.004","14.25","0.006","16.426","0.003","90","","111.269","0.014","90","","3187.3","1.7","296.2","","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Cl F6 N4 O2 P2 Ru -","- C28 H27 Cl F6 N4 O2 P2 Ru -","- C112 H108 Cl4 F24 N16 O8 P8 Ru4 -","4","1","","Dusan Hesek; Guy A. Hembury; Michael G. B. Drew; Seiji Taniguchi; Yoshihisa Inoue","Atropisomer and Diastereomer Generation and Control in Ruthenium Bis(bipyridine) Phosphonite Complexes","Journal of the American Chemical Society","2000","122","","10236","10237","10.1021/ja002117t","","","0.71069","MoKα","","0.1954","0.0511","","","0.1248","0.1677","","","","","","0.948","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116196","14.55","0.002","15.126","0.004","15.9844","0.0016","90","","111.435","0.008","90","","3274.6","1","296.2","","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Cl F6 N4 O2 P2 Ru -","- C28 H27 Cl F6 N4 O2 P2 Ru -","- C112 H108 Cl4 F24 N16 O8 P8 Ru4 -","4","1","","Dusan Hesek; Guy A. Hembury; Michael G. B. Drew; Seiji Taniguchi; Yoshihisa Inoue","Atropisomer and Diastereomer Generation and Control in Ruthenium Bis(bipyridine) Phosphonite Complexes","Journal of the American Chemical Society","2000","122","","10236","10237","10.1021/ja002117t","","","0.71073","MoKα","","0.13","0.0677","","","0.1967","0.2182","","","","","","1.286","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116197","26.711","0.003","26.711","0.003","9.884","0.004","90","","90","","120","","6107","3","128.2","","128.2","","","","","","","","","4","P 61","P 61","169","","","","- C32 H57 N5 O9 -","- C34 H65 N6 O11.5 -","- C204 H390 N36 O69 -","6","1","","Hiroshi Kogen; Toshihiro Kiho; Mizuka Nakayama; Youji Furukawa; Takeshi Kinoshita; Masatoshi Inukai","Crystal Structure and Total Synthesis of Globomycin: Establishment of Relative and Absolute Configurations","Journal of the American Chemical Society","2000","122","","10214","10215","10.1021/ja002547j","","","1.5418","CuKα","","","0.0531","","","0.0703","","","","","1.158","1.158","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116198","10.078","0.001","10.3207","0.0006","10.145","0.001","90","","105.21","0.01","90","","1018.24","0.16","293","2","293","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","cesium_bismuthide","Cs3Bi2","","- Bi2 Cs3 -","- Bi2 Cs3 -","- Bi8 Cs12 -","4","0.5","","Franck Gascoin; Slavi C. Sevov","Synthesis and Characterization of A3Bi2 (A = K, Rb, Cs) with Isolated Diatomic Dianion of Bismuth, [Bi2]2-, and an Extra Delocalized Electron","Journal of the American Chemical Society","2000","122","","10251","10252","10.1021/ja002606t","","","0.71073","MoKα","","0.0693","0.0414","","","0.0824","0.0909","","","","","","1.011","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116199","11.881","0.001","7.921","0.001","12.893","0.007","90","0","91.1","0.03","90","0","1213.1","0.7","295","","295","","","","","","","","......","4","P 1 21/c 1","-P 2ybc","14","","3-[1-(Phenylamino) ethylidene]-6-methyl-3H-pyran-2,4-dione","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","1","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","0.71069","MoKα","","","0.044","","","","0.06","","","","","","2.02","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116200","11.82","0.001","7.713","0.001","12.974","0.001","90","","91.12","0.01","90","","1182.6","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[1-(Phenylamino) ethylidene]-6-methyl-3H-pyran-2,4-dione","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","1","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","1.5418","CuKα","","0.0404","0.04","","0.1025","0.1022","","","","1.163","1.173","1.173","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116201","12.982","0.002","7.68","0.002","14.015","0.001","90","0","107.53","0.05","90","0","1332.4","0.6","295","","295","","","","","","","","......","4","P 1 21/a 1","-P 2yab","14","","3-[1-(4-Methoxyphenylamino) ethylidene]-6-methyl-3H-pyran-2,4-dione","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","0.71069","MoKα","","","0.046","","","","0.057","","","","","","1.79","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116202","12.999","0.002","7.547","0.001","13.974","0.002","90","","107.69","0.01","90","","1306.1","0.3","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-[1-(4-Methoxyphenylamino) ethylidene]-6-methyl-3H-pyran-2,4-dione","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","1.54178","CuKα","","0.0454","0.0436","","0.1246","0.1219","","","","1.11","1.119","1.119","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116203","7.401","0.001","8.364","0.002","10.683","0.002","97.51","0.01","103.45","0.01","92.69","0.01","635.6","0.2","295","","295","","","","","","","","......","5","P -1","-P 1","2","","3-[1-(4-Chlorophenylamino) ethylidene]-6-methyl-3H-pyran-2,4-dione","","- C14 H12 Cl N O3 -","- C14 H12 Cl N O3 -","- C28 H24 Cl2 N2 O6 -","2","1","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","0.71069","MoKα","","","0.043","","","","0.062","","","","","","2.14","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116204","7.3373","0.0005","8.2919","0.0005","10.59","0.009","98.525","0.009","102.805","0.005","91.989","0.007","619.8","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","3-[1-(4-Chlorophanylamino) ethylidene]-6-methyl-3H-pyran-2,4-dione","","- C14 H12 Cl N O3 -","- C14 H12 Cl N O3 -","- C28 H24 Cl2 N2 O6 -","2","1","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","1.54178","CuKα","","0.036","0.0359","","0.1074","0.1074","","","","1.162","1.164","1.164","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116205","13.21","0.004","14.666","0.002","10.13","0.003","90","0","92.46","0.02","90","0","1960.8","0.9","295","","295","","","","","","","","......","4","C 1 2/c 1","-C 2yc","15","","N,N'-3-Azapentane-1,5-bis[3-(1-aminoethylidene)-6-methyl-3H-pyran- 2,4-dione]","","- C20 H25 N3 O6 -","- C20 H25 N3 O6 -","- C80 H100 N12 O24 -","4","0.5","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","0.71069","MoKα","","","0.046","","","","0.059","","","","","","1.96","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116206","8.934","0.002","10.93","0.001","8.044","0.003","106.24","0.02","114.49","0.02","83.28","0.01","686.3","0.3","295","","295","","","","","","","","......","4","P -1","-P 1","2","","3-(3-methoxyphenylamino)-5,5-dimethyl-2-nitroso-2-cyclohexen-1-one","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C30 H36 N4 O6 -","2","1","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","0.71069","MoKα","","","0.042","","","","0.054","","","","","","1.76","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116207","7.502","0.001","12.181","0.003","10.846","0.001","90","0","100.44","0.01","90","0","974.7","0.3","295","","295","","","","","","","","......","4","P 1 21/c 1","-P 2ybc","14","","o-Acetoacetotoluidide","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","0.71069","MoKα","","","0.044","","","","0.053","","","","","","1.7","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116208","6.727","0.002","21.286","0.003","7.99","0.001","90","0","113.7","0.02","90","0","1047.6","0.4","295","","295","","","","","","","","......","4","P 1 21/a 1","-P 2yab","14","","o-Acetoacetanisidide","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","0.71069","MoKα","","","0.042","","","","0.057","","","","","","1.92","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116209","11.392","0.005","11.392","0.005","3.938","0.003","90","","90","","120","","442.6","0.4","293","2","293","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","Ba2NiSi3","","- Ba2 Ni Si3 -","- Ba2 Ni Si3 -","- Ba6 Ni3 Si9 -","3","0.25","","Joanna Goodey; Jianggao Mao; Arnold M. Guloy","Ba2NiSi3: A One-Dimensional Solid-State Metallocene Analog","Journal of the American Chemical Society","2000","122","","10478","10479","10.1021/ja0016102","","","0.71073","MoKα","","0.0522","0.0502","","0.1217","0.1201","","","","1.126","1.133","1.133","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116210","15.064","0.002","13.013","0.003","12.47","0.002","90","","112.732","0.012","90","","2254.6","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H44 Mo8 N2 O26 S8 -","- C10 Mo8 N2 O26 S8 -","- C20 Mo16 N4 O52 S16 -","2","0.5","","Bernadette Salignac; Sandra Riedel; Anne Dolbecq; Francis Sécheresse; Emmanuel Cadot","""Wheeling Templates"" in Molecular Oxothiomolybdate Rings: Syntheses, Structures, and Dynamics","Journal of the American Chemical Society","2000","122","","10381","10389","10.1021/ja001878t","","","0.71073","MoKα","","0.0398","0.0309","","0.0904","0.0848","","","","1.057","1.077","1.077","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116211","13.5426","0.0002","18.5523","0.0003","22.5839","0.0003","90","","103.703","0.001","90","","5512.62","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H38 Cs2 Mo10 O35 S10 -","- C5 Cs2 Mo10 O35 S10 -","- C20 Cs8 Mo40 O140 S40 -","4","1","","Bernadette Salignac; Sandra Riedel; Anne Dolbecq; Francis Sécheresse; Emmanuel Cadot","""Wheeling Templates"" in Molecular Oxothiomolybdate Rings: Syntheses, Structures, and Dynamics","Journal of the American Chemical Society","2000","122","","10381","10389","10.1021/ja001878t","","","0.71073","MoKα","","0.0675","0.0492","","0.1365","0.1299","","","","0.995","1.131","1.131","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116212","24.296","0.004","10.165","0.003","21.828","0.006","90","","90","","90","","5391","2","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C10 H32 Mo10 O33 Rb4 S10 -","- C10 Mo10 O33 Rb4 S10 -","- C40 Mo40 O132 Rb16 S40 -","4","0.5","","Bernadette Salignac; Sandra Riedel; Anne Dolbecq; Francis Sécheresse; Emmanuel Cadot","""Wheeling Templates"" in Molecular Oxothiomolybdate Rings: Syntheses, Structures, and Dynamics","Journal of the American Chemical Society","2000","122","","10381","10389","10.1021/ja001878t","","","0.71073","MoKα","","0.1167","0.06","","0.1593","0.1294","","","","1.114","1.125","1.125","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116213","22.285","0.0001","11.0041","0.0002","18.7617","0.0003","90","","123.007","0.001","90","","3858.3","0.1","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C7 H35 Cs2 Mo12 O50 S12 -","- C7 Cs1.98 Mo12 O50 S12 -","- C14 Cs3.96 Mo24 O100 S24 -","2","0.25","","Bernadette Salignac; Sandra Riedel; Anne Dolbecq; Francis Sécheresse; Emmanuel Cadot","""Wheeling Templates"" in Molecular Oxothiomolybdate Rings: Syntheses, Structures, and Dynamics","Journal of the American Chemical Society","2000","122","","10381","10389","10.1021/ja001878t","","","0.71073","MoKα","","0.0566","0.0528","","0.1603","0.1566","","","","0.904","0.926","0.926","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116214","16.0489","0.0005","9.4521","0.0003","15.9728","0.0006","90","","116.707","0.002","90","","2164.51","0.13","173.2","","173.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 Cl2 P2 Pd2 S6 -","- C48 H32 Cl2 P2 Pd2 S6 -","- C96 H64 Cl4 P4 Pd4 S12 -","2","0.5","","Olivier Clot; Michael O. Wolf; Brian O. Patrick","Electropolymerization of a Cyclometalated Terthiophene: A Hybrid Material with a Palladium-Carbon Bond to the Backbone","Journal of the American Chemical Society","2000","122","","10456","10457","10.1021/ja002258v","","","0.7107","MoKα","","0.0452","0.0452","","0.0764","","0.0764","","","1.082","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116215","15.2507","0.0007","16.5894","0.0008","25.8511","0.0012","90","","102.923","0.001","90","","6374.7","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3a*1.5THF","","- C76 H76 N4 O5.5 -","- C72.5 H64 N4 O4 -","- C290 H256 N16 O16 -","4","1","","Michael Harmjanz; Hubert S. Gill; Michael J. Scott","Porphodimethene-Porphyrin Interconversion: A Tetrapyrrolic Redox-Switchable Macrocycle","Journal of the American Chemical Society","2000","122","","10476","10477","10.1021/ja003004c","","","0.71073","MoKα","","0.1044","0.0804","","","0.2182","0.2349","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116216","29.448","0.003","12.588","0.0012","21.842","0.002","90","","107.913","0.002","90","","7704.2","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","8*5.25 MeOH","","- C85.25 H84 Co2 N4 O10.25 Zn -","- C85.25 H78 Co2 N4 O10.25 Zn -","- C341 H312 Co8 N16 O41 Zn4 -","4","1","","Michael Harmjanz; Hubert S. Gill; Michael J. Scott","Porphodimethene-Porphyrin Interconversion: A Tetrapyrrolic Redox-Switchable Macrocycle","Journal of the American Chemical Society","2000","122","","10476","10477","10.1021/ja003004c","","","0.71073","MoKα","","0.1352","0.0867","","","0.1955","0.226","","","","","","1.06","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116217","8.1252","0.0012","13.613","0.002","16.659","0.003","82.429","0.005","78.351","0.005","73.558","0.005","1725.4","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H49 O8 -","- C38 H40 O8 -","- C76 H80 O16 -","2","1","","Chaomin Li; Emil Lobkovsky; John A. Porco","Total Synthesis of (\±)-Torreyanic Acid","Journal of the American Chemical Society","2000","122","","10484","10485","10.1021/ja005552w","","","0.71073","MoKα","","0.0951","0.0551","","","0.1353","0.1586","","","","","","0.984","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116218","31.008","0.0005","11.92","0.0003","29.791","0.0007","90","","107.994","0.0013","90","","10472.6","0.4","115","","115","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C117 H160 N4 O4 Zr2 -","- C117 H160 N4 O4 Zr2 -","- C468 H640 N16 O16 Zr8 -","4","1","","Edit Y. Tshuva; Israel Goldberg; Moshe Kol","Isospecific Living Polymerization of 1-Hexene by a Readily Available Nonmetallocene C2-Symmetrical Zirconium Catalyst","Journal of the American Chemical Society","2000","122","","10706","10707","10.1021/ja001219g","","","0.7107","MoKα","","0.0852","0.0493","","","0.1157","0.1323","","","","","","1.06","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116219","27.863","0.003","43.569","0.003","29.333","0.002","90","","90","","90","","35609","5","213","2","213","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C209.5 H182 Cl2 N10 Pd2.5 -","- C209.5 H182 Cl2 N10 Pd2.5 -","- C1676 H1456 Cl16 N80 Pd20 -","8","0.5","","Dayong Sun; Fook S. Tham; Christopher A. Reed; Leila Chaker; Michael Burgess; Peter D. W. Boyd","Porphyrin-Fullerene Host-Guest Chemistry","Journal of the American Chemical Society","2000","122","","10704","10705","10.1021/ja002214m","","","0.71073","MoKα","","0.1281","0.0753","","","0.1945","0.2745","","","","","","1.067","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116220","18.1981","0.0006","17.3589","0.0006","17.8391","0.0006","90","","91.957","0.001","90","","5632.1","0.3","90","2","90","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Sr~21~Mn~4~Sb~18~","","","- Mn4 Sb18 Sr21 -","- Mn4 Sb18 Sr21 -","- Mn16 Sb72 Sr84 -","4","0.5","","Hyungrak Kim; Cathie L. Condron; Aaron P. Holm; Susan M. Kauzlarich","Synthesis, Structure, and Magnetic Properties of a New Ternary Zintl Phase: Sr21Mn4Sb18","Journal of the American Chemical Society","2000","122","","10720","10721","10.1021/ja002709b","","","0.71073","MoKα","","0.0571","0.033","","","0.0638","0.0703","","","","","","1.026","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116221","9.9851","0.0012","37.016","0.004","8.274","0.002","90","","90","","90","","3058.1","0.9","188","2","188","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C31 H32 F3 N O10 -","- C31 H31 F3 N O10 -","- C124 H124 F12 N4 O40 -","4","1","","Ingrid M. Fellows; David E. Kaelin; Stephen F. Martin","Application of Ring-Closing Metathesis to the Formal Total Synthesis of (+)-FR900482","Journal of the American Chemical Society","2000","122","","10781","10787","10.1021/ja0013879","","","0.71073","MoKα","","0.2322","0.0787","","0.1869","0.1299","","","","1.034","1.261","1.261","","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116222","12.546","0.001","12.662","0.001","12.995","0.001","106.54","0.01","113.17","0.01","96.981","0.008","1754.3","0.3","188","2","188","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H45 N O7 -","- C40 H45 N O7 -","- C80 H90 N2 O14 -","2","1","","Ingrid M. Fellows; David E. Kaelin; Stephen F. Martin","Application of Ring-Closing Metathesis to the Formal Total Synthesis of (+)-FR900482","Journal of the American Chemical Society","2000","122","","10781","10787","10.1021/ja0013879","","","0.71073","MoKα","","0.0927","0.0512","","0.1133","0.0967","","","","1.09","1.182","1.182","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116223","10.855","0.0003","11.869","0.0002","17.657","0.0004","95.484","0.0016","90.68","0.0013","93.456","0.0013","2260.01","0.09","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H44 Cl3 I N2 O10 S -","- C46 H44 Cl3 I N2 O10 S -","- C92 H88 Cl6 I2 N4 O20 S2 -","2","1","","Ingrid M. Fellows; David E. Kaelin; Stephen F. Martin","Application of Ring-Closing Metathesis to the Formal Total Synthesis of (+)-FR900482","Journal of the American Chemical Society","2000","122","","10781","10787","10.1021/ja0013879","","","0.71073","MoKα","","0.0709","0.0448","","","0.1032","0.1139","","","","","","1.056","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116224","13.1029","0.0002","14.0516","0.0002","14.8296","0.0003","79.154","0.001","72.972","0.001","72.128","0.001","2470.16","0.07","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H45 Cl6 I N2 O10 S -","- C47 H45 Cl6 I N2 O10 S -","- C94 H90 Cl12 I2 N4 O20 S2 -","2","1","","Ingrid M. Fellows; David E. Kaelin; Stephen F. Martin","Application of Ring-Closing Metathesis to the Formal Total Synthesis of (+)-FR900482","Journal of the American Chemical Society","2000","122","","10781","10787","10.1021/ja0013879","","","0.71073","MoKα","","0.0459","0.0336","","","0.0701","0.0738","","","","","","1.035","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116225","11.018","0.004","14.145","0.004","17.79","0.006","110.15","0.02","97.598","0.019","89.51","0.02","2578","1.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H47.5 Cl4.5 N2 O11 S -","- C47 H47 Cl3 N2 O11 S -","- C94 H94 Cl6 N4 O22 S2 -","2","1","","Ingrid M. Fellows; David E. Kaelin; Stephen F. Martin","Application of Ring-Closing Metathesis to the Formal Total Synthesis of (+)-FR900482","Journal of the American Chemical Society","2000","122","","10781","10787","10.1021/ja0013879","","","0.71073","MoKα","","0.3014","0.1886","","","0.2637","0.2924","","","","","","1.786","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116226","9.534","0.003","10.626","0.002","15.079","0.003","90","","91.75","0.02","90","","1526.9","0.6","296.2","","296.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H34 Cd N2 S7 -","- C23 H34 Cd N2 S7 -","- C46 H68 Cd2 N4 S14 -","2","1","","Jie Dai; Guo-Qing Bian; Xin Wang; Qing-Feng Xu; Min-Yan Zhou; Megumu Munakata; Masahiko Maekawa; Ming-Hong Tong; Zhen-Rong Sun; He-Ping Zeng","A New Method to Synthesize Unsymmetrical Dithiolene Metal Complexes of 1,3-Dithiole-2-thione-4,5-dithiolate for Third-Order Nonlinear Optical Applications","Journal of the American Chemical Society","2000","122","","11007","11008","10.1021/ja001976e","","","0.7107","MoKα","","0.0384","0.0292","","","0.0827","0.0879","","","","","","0.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116227","10","0.0006","10.5047","0.0006","11.5559","0.0006","68.821","0.001","86.902","0.001","65.525","0.001","1023.65","0.1","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H28 N2 O2 -","- C23 H28 N2 O2 -","- C46 H56 N4 O4 -","2","1","","P. Andrew Evans; Thara Manangan; Arnold L. Rheingold","Stereoselective Construction of trans-Disubstituted Azabicycles Using Oxauracil as a Novel Free Radical Acceptor","Journal of the American Chemical Society","2000","122","","11009","11010","10.1021/ja0020308","","","0.71073","MoKα","","0.0851","0.0657","","0.2071","0.1897","","","","1.057","1.133","1.133","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116228","15.2634","0.0006","6.7949","0.0002","9.3479","0.0003","90","","104.269","0.002","90","","939.59","0.06","228","2","228","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C42 H48 N4 O4 -","2","1","","P. Andrew Evans; Thara Manangan; Arnold L. Rheingold","Stereoselective Construction of trans-Disubstituted Azabicycles Using Oxauracil as a Novel Free Radical Acceptor","Journal of the American Chemical Society","2000","122","","11009","11010","10.1021/ja0020308","","","0.71073","MoKα","","0.0611","0.0465","","0.136","0.1107","","","","1.023","1.036","1.036","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116229","10.5766","0.0001","9.7748","0.0002","19.1768","0.0004","90","","98.416","0.001","90","","1961.23","0.06","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","1","","P. Andrew Evans; Thara Manangan; Arnold L. Rheingold","Stereoselective Construction of trans-Disubstituted Azabicycles Using Oxauracil as a Novel Free Radical Acceptor","Journal of the American Chemical Society","2000","122","","11009","11010","10.1021/ja0020308","","","0.71073","MoKα","","0.0637","0.0505","","0.1627","0.1526","","","","1.071","1.143","1.143","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116230","9.532","0.006","24.712","0.008","38.47","0.01","90","","90","","90","","9062","7","296.2","","296.2","","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C43 H62 B Cl F4 O2 Ru2 S2 -","- C43 B0.5 Cl F2 O1.5 Ru2 S2 -","- C344 B4 Cl8 F16 O12 Ru16 S16 -","8","1","","Yoshiaki Nishibayashi; Issei Wakiji; Masanobu Hidai","Novel Propargylic Substitution Reactions Catalyzed by Thiolate-Bridged Diruthenium Complexes via Allenylidene Intermediates","Journal of the American Chemical Society","2000","122","","11019","11020","10.1021/ja0021161","","","0.7107","MoKα","","0.0694","0.0694","","","0.0865","0.0865","","","","","","2.428","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116231","11.5194","0.0006","17.1506","0.001","13.0058","0.0007","90","","110.166","0.002","90","","2412","0.2","160","2","160","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H72 K4 Li4 O8 -","- C32 H72 K4 Li4 O8 -","- C64 H144 K8 Li8 O16 -","2","0.5","","David R. Armstrong; William Clegg; Allison M. Drummond; Stephen T. Liddle; Robert E. Mulvey","A Remarkable Isostructural Homologous Series of Mixed Lithium-Heavier Alkali Metaltert-Butoxides [(t-BuO)8Li4M4] (M = Na, K, Rb or Cs)","Journal of the American Chemical Society","2000","122","","11117","11124","10.1021/ja002217z","","","0.71073","MoKα","","0.0441","0.0324","","","0.0853","0.088","","","","","","1.035","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116232","18.998","0.003","12.01","0.003","20.402","0.003","90","","102.899","0.009","90","","4537.6","1.5","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H72 Li4 Na4 O8 -","- C32 H72 Li4 Na4 O8 -","- C128 H288 Li16 Na16 O32 -","4","2","","David R. Armstrong; William Clegg; Allison M. Drummond; Stephen T. Liddle; Robert E. Mulvey","A Remarkable Isostructural Homologous Series of Mixed Lithium-Heavier Alkali Metaltert-Butoxides [(t-BuO)8Li4M4] (M = Na, K, Rb or Cs)","Journal of the American Chemical Society","2000","122","","11117","11124","10.1021/ja002217z","","","0.71073","MoKα","","0.0585","0.0376","","","0.0799","0.0871","","","","","","0.976","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116233","11.705","0.003","17.07","0.005","12.957","0.005","90","0.002","110.347","0.019","90","0.002","2427.3","1.4","160","2","160","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H72 Li4 O8 Rb4 -","- C32 H72 Li4 O8 Rb4 -","- C64 H144 Li8 O16 Rb8 -","2","0.5","","David R. Armstrong; William Clegg; Allison M. Drummond; Stephen T. Liddle; Robert E. Mulvey","A Remarkable Isostructural Homologous Series of Mixed Lithium-Heavier Alkali Metaltert-Butoxides [(t-BuO)8Li4M4] (M = Na, K, Rb or Cs)","Journal of the American Chemical Society","2000","122","","11117","11124","10.1021/ja002217z","","","0.71073","MoKα","","0.0991","0.0437","","","0.0976","0.1088","","","","","","0.904","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116234","12.106","0.003","17.08","0.004","12.913","0.0017","90","","109.541","0.013","90","","2516.2","0.9","160","2","160","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H72 Cs4 Li4 O8 -","- C32 H72 Cs4 Li4 O8 -","- C64 H144 Cs8 Li8 O16 -","2","0.5","","David R. Armstrong; William Clegg; Allison M. Drummond; Stephen T. Liddle; Robert E. Mulvey","A Remarkable Isostructural Homologous Series of Mixed Lithium-Heavier Alkali Metaltert-Butoxides [(t-BuO)8Li4M4] (M = Na, K, Rb or Cs)","Journal of the American Chemical Society","2000","122","","11117","11124","10.1021/ja002217z","","","0.71073","MoKα","","0.0323","0.023","","","0.0595","0.0625","","","","","","1.072","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116235","17.372","0.002","6.8151","0.0007","15.17","0.003","90","","90","","90","","1796","0.5","293","2","293","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C11 H12 B N4 O3 Re S2 -","- C14 H12 B N4 O3 Re S2 -","- C56 H48 B4 N16 O12 Re4 S8 -","4","0.5","","Raquel Garcia; António Paulo; Ângela Domingos; Isabel Santos; Kirstin Ortner; Roger Alberto","Re and Tc Complexes Containing B-H...M Agostic Interactions as Building Blocks for the Design of Radiopharmaceuticals","Journal of the American Chemical Society","2000","122","","11240","11241","10.1021/ja002652t","","","0.71073","MoKα","","0.0694","0.0415","","0.101","0.0806","","","","1.15","1.074","1.074","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116236","7.1363","0.0005","11.5834","0.0009","22.942","0.002","83.739","0.009","82.477","0.009","87.616","0.009","1868.2","0.3","183","2","183","2","","","","","","","","8","P -1","-P 1","2","","","","- C11.5 H12.5 B Cl1.5 N4 O3 S2 Tc -","- C11.4915 H12.4915 B Cl1.4745 N4 O3 S2 Tc -","- C45.966 H49.966 B4 Cl5.898 N16 O12 S8 Tc4 -","4","2","","Raquel Garcia; António Paulo; Ângela Domingos; Isabel Santos; Kirstin Ortner; Roger Alberto","Re and Tc Complexes Containing B-H...M Agostic Interactions as Building Blocks for the Design of Radiopharmaceuticals","Journal of the American Chemical Society","2000","122","","11240","11241","10.1021/ja002652t","","","0.71073","MoKα","","0.0435","0.0375","","0.1043","0.1025","","","","1.08","1.16","1.16","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116237","10.244","0.003","11.045","0.003","11.77","0.002","89.648","0.013","89.426","0.012","65.78","0.02","1214.4","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H24 B N6 O4 Re S2 -","- C18 H24 B N6 O4 Re S2 -","- C36 H48 B2 N12 O8 Re2 S4 -","2","1","","Raquel Garcia; António Paulo; Ângela Domingos; Isabel Santos; Kirstin Ortner; Roger Alberto","Re and Tc Complexes Containing B-H...M Agostic Interactions as Building Blocks for the Design of Radiopharmaceuticals","Journal of the American Chemical Society","2000","122","","11240","11241","10.1021/ja002652t","","","0.71073","MoKα","","0.1149","0.0677","","0.1769","0.1243","","","","1.074","1.097","1.097","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116238","13.016","0.003","13.016","0.003","7.356","0.004","90","","90","","90","","1246.2","0.8","293","2","293","2","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C12 H20 Ga4 N2 O21 P4 -","- C12 H12 Ga4 O21 P4 -","- C24 H24 Ga8 O42 P8 -","2","0.125","","David S. Wragg; Russell E. Morris","Anionic Gallium Phosphate Double Four-Ring Units Containing Occluded Oxygen","Journal of the American Chemical Society","2000","122","","11246","11247","10.1021/ja0055209","","","1.54178","CuKα","","0.079","0.0704","","0.1953","0.1838","","","","1.089","1.111","1.111","","","","","has coordinates","270822","2021-11-23","08:36:10",""
"4116239","11.9318","0.0018","14.041","0.002","17.25","0.003","109.831","0.011","96.22","0.012","102.619","0.011","2600","0.8","130","2","130","2","","","","","","","","5","P -1","-P 1","2","tetracation porphyrin trimer","","","- C122 H94 F12 N12 O10 -","- C122 H86 F12 N12 O10 -","- C122 H86 F12 N12 O10 -","1","0.5","","Roberto Paolesse; Laurent Jaquinod; Fabio Della Sala; Daniel J. Nurco; Luca Prodi; Marco Montalti; Corrado Di Natale; Arnaldo D'Amico; Aldo Di Carlo; Paolo Lugli; Kevin M. Smith","β-Fused Oligoporphyrins: A Novel Approach to a New Type of Extended Aromatic System","Journal of the American Chemical Society","2000","122","","11295","11302","10.1021/ja001316+","","","1.54178","CuKα","","0.1212","0.0814","","","0.2021","0.2361","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116240","9.018","0.002","16.244","0.004","20.737","0.002","90","","90.84","0.01","90","","3037.4","1","286.2","","286.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 N2 O2 Si W -","- C31 H33 N2 O2 Si W -","- C124 H132 N8 O8 Si4 W4 -","4","1","","Hiroyuki Sakaba; Masanori Tsukamoto; Takeshi Hirata; Chizuko Kabuto; Hiroshi Horino","Synthesis, Structure, and Silylene Exchange Reaction of Base-Stabilized Hydrido(silylene)tungsten Complexes and Rearrangement of Hydrosilyl(pyridine)tungsten Complexes to the Base-Stabilized Hydrido(silylene) Complexes via 1,2-Hydrogen Migration","Journal of the American Chemical Society","2000","122","","11511","11512","10.1021/ja993279w","","","0.7107","MoKα","","0.0422","0.0422","","","0.066","0.066","","","","","","1.553","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116241","34.226","0.009","20.44","0.01","15.638","0.007","90","","90","","90","","10940","8","286.2","","286.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H31 N O2 Si W -","- C29 H31 N O2 Si W -","- C464 H496 N16 O32 Si16 W16 -","16","2","","Hiroyuki Sakaba; Masanori Tsukamoto; Takeshi Hirata; Chizuko Kabuto; Hiroshi Horino","Synthesis, Structure, and Silylene Exchange Reaction of Base-Stabilized Hydrido(silylene)tungsten Complexes and Rearrangement of Hydrosilyl(pyridine)tungsten Complexes to the Base-Stabilized Hydrido(silylene) Complexes via 1,2-Hydrogen Migration","Journal of the American Chemical Society","2000","122","","11511","11512","10.1021/ja993279w","","","0.7107","MoKα","","0.0511","0.0511","","","0.0541","0.0541","","","","","","2.492","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116242","11.574","0.003","19.732","0.004","11.853","0.003","90","","106.583","0.001","90","","2594.4","1.1","10","2","10","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.5608","AgKα","","0.0679","0.0608","","","0.1465","0.1488","","","","","","1.362","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116243","11.573","0.002","19.725","0.004","11.847","0.002","90","","106.469","0.009","90","","2593.4","0.8","35","2","35","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.0474","0.0348","","","0.0735","0.0797","","","","","","1.067","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116244","11.588","0.003","19.709","0.004","11.875","0.003","90","","106.96","0.001","90","","2594.2","1.1","60","2","60","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.5608","AgKα","","0.0834","0.0685","","","0.1618","0.1695","","","","","","1.218","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116245","11.6025","0.001","19.748","0.002","11.914","0.001","90","","106.826","0.002","90","","2612.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.0459","0.0449","","","0.1063","0.1071","","","","","","1.432","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116246","11.6077","0.001","19.764","0.002","11.9384","0.001","90","","106.69","0.002","90","","2623.5","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.0448","0.0433","","","0.1168","0.1186","","","","","","1.111","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116247","11.6346","0.001","19.807","0.002","11.8067","0.001","90","","106.903","0.002","90","","2603.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.0703","0.0581","","","0.1316","0.1406","","","","","","1.251","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116248","11.628","0.001","19.843","0.002","11.843","0.001","90","","106.886","0.002","90","","2614.8","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.0495","0.0475","","","0.1159","0.1179","","","","","","1.327","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116249","11.667","0.001","19.918","0.002","11.981","0.001","90","","106.786","0.002","90","","2665.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.0893","0.0577","","","0.1127","0.123","","","","","","1.154","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116250","11.697","0.001","20.018","0.002","11.978","0.001","90","","106.903","0.002","90","","2683.5","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.0576","0.052","","","0.1322","0.1391","","","","","","1.153","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116251","11.765","0.001","20.159","0.002","12.014","0.001","90","","106.88","0.002","90","","2726.6","0.4","240","2","240","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.1294","0.0579","","","0.1061","0.1205","","","","","","1.166","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116252","11.824","0.002","20.271","0.004","12.011","0.002","90","","106.983","0.004","90","","2753.3","0.9","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.063","0.0544","","","0.1065","0.1123","","","","","","1.34","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116253","14.07","0.003","15.309","0.003","23.968","0.003","90","","95.21","0.02","90","","5141.3","1.6","219.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H77 B Cu N6 S -","- C53 H77 B Cu N6 S -","- C212 H308 B4 Cu4 N24 S4 -","4","1","","David W. Randall; Serena DeBeer George; Britt Hedman; Keith O. Hodgson; Kiyoshi Fujisawa; Edward I. Solomon","Spectroscopic and Electronic Structural Studies of Blue Copper Model Complexes. 1. Perturbation of the Thiolate-Cu Bond","Journal of the American Chemical Society","2000","122","","11620","11631","10.1021/ja001591w","","","0.7107","MoKα","","","0.0483","","","","0.0556","","","","","","1.893","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116254","11.3523","0.0002","17.0133","0.0003","18.3511","0.0002","90","","103.49","0.001","90","","3446.55","0.09","173","2","173","2","","","","","","","Patrick Holland","5","P 1 21/c 1","-P 2ybc","14","99169","A(DIPP)CuSDMP","","- C37 H50 Cu N2 S -","- C37 H50 Cu N2 S -","- C148 H200 Cu4 N8 S4 -","4","1","","David W. Randall; Serena DeBeer George; Patrick L. Holland; Britt Hedman; Keith O. Hodgson; William B. Tolman; Edward I. Solomon","Spectroscopic and Electronic Structural Studies of Blue Copper Model Complexes. 2. Comparison of Three- and Four-Coordinate Cu(II)-Thiolate Complexes and Fungal Laccase","Journal of the American Chemical Society","2000","122","","11632","11648","10.1021/ja001592o","","","0.71073","MoKα","","0.044","0.0295","","0.0774","0.0727","","","","1.033","1.106","1.106","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116255","13.4053","0.0011","16.3295","0.0013","17.8203","0.0014","72.146","0.002","80.562","0.002","82.677","0.002","3650.4","0.5","213","2","213","2","","","","","","","","9","P -1","-P 1","2","","","","- C80 H80 Cl2 F6 O3 P4 Rh Sb Zr -","- C80 H80 Cl2 F6 O3 P4 Rh Sb Zr -","- C160 H160 Cl4 F12 O6 P8 Rh2 Sb2 Zr2 -","2","1","","T. Keith Hollis; Li-Sheng Wang; Fook Tham","Dynamic Resolution of a Metallocene: Diastereoselective Assembly of an Early-Late Heterobimetallic Metal-Bridgedansa-Metallocene Opening a Route to Parallel Catalyst Synthesis","Journal of the American Chemical Society","2000","122","","11737","11738","10.1021/ja002411l","","","0.71073","MoKα","","0.0956","0.0543","","","0.1343","0.1584","","","","","","1.035","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116256","12.8866","0.0003","15.9008","0.0003","12.1765","0.0003","90","","121.535","0.001","90","","2126.59","0.09","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C44 H48 B2 F8 N2 P2 Pt -","- C44 H48 B2 F8 N2 P2 Pt -","- C88 H96 B4 F16 N4 P4 Pt2 -","2","0.5","","Martin Albrecht; Paulo Dani; Martin Lutz; Anthony L. Spek; Gerard van Koten","Transcyclometalation Processes with Late Transition Metals: Caryl-H Bond Activation via Noncovalent C-H...Interactions","Journal of the American Chemical Society","2000","122","","11822","11833","10.1021/ja001808m","","","0.71073","MoKα","","0.0278","0.0278","","","0.0703","0.0703","","","","","","1.042","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116257","11.5811","0.0003","12.4431","0.0003","17.6349","0.0005","70.7122","0.001","84.1765","0.0011","69.4615","0.0013","2245.87","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H51.33 Cl N2 P2 Pt -","- C48.99 H51.31 Cl N2 P2 Pt -","- C97.98 H102.62 Cl2 N4 P4 Pt2 -","2","1","","Martin Albrecht; Paulo Dani; Martin Lutz; Anthony L. Spek; Gerard van Koten","Transcyclometalation Processes with Late Transition Metals: Caryl-H Bond Activation via Noncovalent C-H...Interactions","Journal of the American Chemical Society","2000","122","","11822","11833","10.1021/ja001808m","","","0.71073","MoKα","","0.0408","0.0351","","","0.1017","0.105","","","","","","1.07","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116258","13.0416","0.0002","15.5605","0.0003","24.1866","0.0005","90","","92.638","0.001","90","","4903.08","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C112 H118 Cl2 N4 P4 Pt2 -","- C112 H118 Cl2 N4 P4 Pt2 -","- C224 H236 Cl4 N8 P8 Pt4 -","2","0.5","","Martin Albrecht; Paulo Dani; Martin Lutz; Anthony L. Spek; Gerard van Koten","Transcyclometalation Processes with Late Transition Metals: Caryl-H Bond Activation via Noncovalent C-H...Interactions","Journal of the American Chemical Society","2000","122","","11822","11833","10.1021/ja001808m","","","0.71073","MoKα","","0.0362","0.0261","","","0.0551","0.0585","","","","","","1.04","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116259","9.9903","0.0003","9.9903","0.0003","15.3902","0.0006","90","","90","","120","","1330.25","0.08","158","2","158","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C30 H45 Cl U -","- C30 H45 Cl U -","- C60 H90 Cl2 U2 -","2","0.166667","","William J. Evans; Gregory W. Nyce; Matthew A. Johnston; Joseph W. Ziller","How Much Steric Crowding Is Possible in Tris(η5-pentamethylcyclopentadienyl) Complexes? Synthesis and Structure of (C5Me5)3UCl and (C5Me5)3UF1","Journal of the American Chemical Society","2000","122","","12019","12020","10.1021/ja002486p","","","0.71073","MoKα","","0.056","0.05","","","0.1215","0.1247","","","","","","1.398","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116260","9.9804","0.0005","9.9804","0.0005","15.4529","0.0011","90","","90","","120","","1333.02","0.13","153","2","153","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C30 H45 F U -","- C30 H45 F2 U -","- C60 H90 F4 U2 -","2","0.166667","","William J. Evans; Gregory W. Nyce; Matthew A. Johnston; Joseph W. Ziller","How Much Steric Crowding Is Possible in Tris(η5-pentamethylcyclopentadienyl) Complexes? Synthesis and Structure of (C5Me5)3UCl and (C5Me5)3UF1","Journal of the American Chemical Society","2000","122","","12019","12020","10.1021/ja002486p","","","0.71073","MoKα","","0.0609","0.0434","","","0.108","0.127","","","","","","1.18","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116261","12.965","0.001","17.957","0.002","5.619","0.001","90","","90","","90","","1308.2","0.3","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","Katsumi Ukai; Koichiro Oshima; Seijiro Matsubara","Preparation of Cyclopropanediol: Novel [2 + 1] Cycloaddition Reaction of Bis(iodozincio)methane with 1,2-Diketones","Journal of the American Chemical Society","2000","122","","12047","12048","10.1021/ja003360v","","","0.7107","MoKα","","","0.0544","","","","0.0827","","","","","","1.136","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116262","43.816","0.009","5.922","0.002","38.178","0.008","90","","100.53","0.01","90","","9740","4","293","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C456 H432 O96 -","24","3","","Katsumi Ukai; Koichiro Oshima; Seijiro Matsubara","Preparation of Cyclopropanediol: Novel [2 + 1] Cycloaddition Reaction of Bis(iodozincio)methane with 1,2-Diketones","Journal of the American Chemical Society","2000","122","","12047","12048","10.1021/ja003360v","","","0.7107","MoKα","","","0.1295","","","","0.1383","","","","","","3.278","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116263","13.5885","0.0005","27.5919","0.001","16.7882","0.0008","90","","109.35","0.002","90","","5938.9","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H78 N8 O6 Zn2 -","- C71 H77 N8 O6 Zn2 -","- C284 H308 N32 O24 Zn8 -","4","1","","James T. Fletcher; Michael J. Therien","Transition-Metal-Mediated [2 + 2 + 2] Cycloaddition Reactions with Ethyne-Containing Porphyrin Templates: New Routes to Cofacial Porphyrin Structures and Facially-Functionalized (Porphinato)metal Species","Journal of the American Chemical Society","2000","122","","12393","12394","10.1021/ja0001557","","","0.71069","MoKα","","0.1364","0.1146","","0.2095","0.1988","","","","1.238","1.299","1.299","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116264","29.804","0.004","12.3908","0.0018","13.489","0.002","90","","101.289","0.003","90","","4885","1.2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-diethyl-8,8,9,9,10,10-hexafluoro-4,14-diphenyl-3,15-dithiatetracyclo-[10.3.0.0^2,6^.0^7,11^] pentadeca-4,6(7),11(12),13-tetraene and 1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C29 H22 F6 S2 -","- C29 H22 F6 S2 -","- C232 H176 F48 S16 -","8","1","","Seiya Kobatake; Katsunori Shibata; Kingo Uchida; Masahiro Irie","Photochromism of 1,2-Bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene in a Single-Crystalline Phase. Conrotatory Thermal Cycloreversion of the Closed-Ring Isomer","Journal of the American Chemical Society","2000","122","","12135","12141","10.1021/ja001996g","","","0.71073","MoKα","","0.0767","0.0459","","","0.1106","0.1277","","","","","","1.017","","","","has coordinates,has disorder","211399","2020-10-21","18:00:00",""
"4116265","22.277","0.003","10.9507","0.0016","10.5694","0.0016","90","","90","","90","","2578.4","0.6","80","2","80","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C29 H22 F6 S2 -","- C29 H22 F6 S2 -","- C116 H88 F24 S8 -","4","0.5","","Seiya Kobatake; Katsunori Shibata; Kingo Uchida; Masahiro Irie","Photochromism of 1,2-Bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene in a Single-Crystalline Phase. Conrotatory Thermal Cycloreversion of the Closed-Ring Isomer","Journal of the American Chemical Society","2000","122","","12135","12141","10.1021/ja001996g","","","0.71073","MoKα","","0.0658","0.0503","","","0.1204","0.1273","","","","","","1.092","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116266","29.762","0.006","12.427","0.002","13.424","0.003","90","","100.719","0.003","90","","4878.3","1.7","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-diethyl-8,8,9,9,10,10-hexafluoro-4,14-diphenyl-3,15-dithiatetracyclo-[10.3.0.0^2,6^.0^7,11^] pentadeca-4,6(7),11(12),13-tetraene","","- C29 H22 F6 S2 -","- C29 H22 F6 S2 -","- C232 H176 F48 S16 -","8","1","","Seiya Kobatake; Katsunori Shibata; Kingo Uchida; Masahiro Irie","Photochromism of 1,2-Bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene in a Single-Crystalline Phase. Conrotatory Thermal Cycloreversion of the Closed-Ring Isomer","Journal of the American Chemical Society","2000","122","","12135","12141","10.1021/ja001996g","","","0.71073","MoKα","","0.0679","0.0411","","","0.0951","0.1061","","","","","","0.969","","","","has coordinates","211399","2020-10-21","18:00:00",""
"4116267","11.5316","0.0006","11.5497","0.0005","13.0148","0.0004","74.998","0.003","74.883","0.003","72.182","0.002","1562.62","0.12","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 Li N2 O5 P2 -","- C30 H48 Li N2 O5 P2 -","- C60 H96 Li2 N4 O10 P4 -","2","1","","Sylvie Choua; Helena Sidorenkova; Théo Berclaz; Michel Geoffroy; Patrick Rosa; Nicolas Mézailles; Louis Ricard; François Mathey; Pascal Le Floch","One-Electron Reduction Product of a Biphosphinine Derivative and of Its Ni(0) Complex: Crystal Structure, EPR/ENDOR, and DFT Investigations on (tmbp).- and [Ni(tmbp)2].-","Journal of the American Chemical Society","2000","122","","12227","12234","10.1021/ja002125+","","","0.71069","MoKα","","0.0557","0.0401","","","0.1156","0.1356","","","","","","1.102","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116268","34.611","0.003","14.3764","0.0014","34.408","0.004","90","","94.085","0.002","90","","17077","3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,3,7,8,11,12,16,17,20,21,25,26,29,30,34,35,38,39,43,44,47,48,52,53,56,57, 61,62,65,66,70,71-dotriacontaethyl-5,14,23,32,41,50,59,68- octaphenyl-[64]hexadecaphyrin-(1.0.1.0.1.0.1.0.1.0.1.0.1.0.1.0)","","- C184 H208 N16 -","- C184 H208 N16 -","- C736 H832 N64 -","4","0.5","","Jun-ichiro Setsune; Satoshi Maeda","Bis(azafulvene) as a Versatile Building Block for Giant Cyclopolypyrroles: X-ray Crystal Structure of [64]Hexadecaphyrin(1.0.1.0.1.0.1.0.1.0.1.0.1.0.1.0)","Journal of the American Chemical Society","2000","122","","12405","12406","10.1021/ja005588o","","","0.71073","MoKα","","0.2453","0.0968","","","0.2442","0.328","","","","","","0.929","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116269","13.3625","0.0007","13.7572","0.0007","14.2004","0.0007","66.538","0.001","74.973","0.001","71.105","0.001","2239.9","0.2","203","","203","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 Fe4 N4 O12 -","- C40 H36 Fe4 N4 O12 -","- C80 H72 Fe8 N8 O24 -","2","1","","Hiroki Oshio; Norihisa Hoshino; Tasuku Ito","Superparamagnetic Behavior in an Alkoxo-Bridged Iron(II) Cube","Journal of the American Chemical Society","2000","122","","12602","12603","10.1021/ja002889p","","","0.71073","MoKα","","0.0477","0.0338","","","0.0898","0.0959","","","","","","1.022","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116270","14.451","0.004","13.884","0.001","5.8","0.001","90","","90","","90","","1163.7","0.4","120","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","benzo[c]phenanthrene","","- C18 H12 -","- C18 H12 -","- C72 H48 -","4","1","","Mahesh K. Lakshman; Panna L. Kole; Surendrakumar Chaturvedi; Joseph H. Saugier; Herman J. C. Yeh; Jenny P. Glusker; H. L. Carrell; Amy K. Katz; Carol E. Afshar; Won-Mohaiza Dashwood; Gary Kenniston; William M. Baird","Methyl Group-Induced Helicity in 1,4-Dimethylbenzo[c]phenanthrene and Its Metabolites: Synthesis, Physical, and Biological Properties","Journal of the American Chemical Society","2000","122","","12629","12636","10.1021/ja002072w","","","","","","0.067","0.048","","0.073","0.072","","0.072","","2.317","2.333","2.333","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116271","8.812","0.003","8.266","0.002","9.497","0.008","90","","103.47","0.04","90","","672.7","0.6","120","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","1,4-dimethylbenzo[c]phenanthrene","","- C20 H16 -","- C20 H16 -","- C40 H32 -","2","1","","Mahesh K. Lakshman; Panna L. Kole; Surendrakumar Chaturvedi; Joseph H. Saugier; Herman J. C. Yeh; Jenny P. Glusker; H. L. Carrell; Amy K. Katz; Carol E. Afshar; Won-Mohaiza Dashwood; Gary Kenniston; William M. Baird","Methyl Group-Induced Helicity in 1,4-Dimethylbenzo[c]phenanthrene and Its Metabolites: Synthesis, Physical, and Biological Properties","Journal of the American Chemical Society","2000","122","","12629","12636","10.1021/ja002072w","","","","","","0.066","0.06","","0.127","0.126","","0.094","","2.556","2.577","2.577","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116272","10.9593","0.0002","21.115","0.0004","12.7534","0.0001","90","","99.296","0.001","90","","2912.45","0.08","188","2","188","2","","","","","","","","8","P 1 21 1","P 2yb","4","[Fe2(BPEAN)(OH)(OTf)](OTf)2 compound 1","","","- C44 H47 Cl6 F9 Fe2 N8 O10 S3 -","- C44 H40 Cl6 F9 Fe2 N8 O10 S3 -","- C88 H80 Cl12 F18 Fe4 N16 O20 S6 -","2","1","","Chuan He; Amy M. Barrios; Dongwhan Lee; Jane Kuzelka; Roman M. Davydov; Stephen J. Lippard","Diiron Complexes of 1,8-Naphthyridine-Based Dinucleating Ligands as Models for Hemerythrin","Journal of the American Chemical Society","2000","122","","12683","12690","10.1021/ja0026861","","","0.71073","MoKα","","0.0633","0.0468","","","0.1162","0.1243","","","","","","0.876","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116273","17.432","0.002","12.878","0.001","7.5758","0.0009","90","","109.715","0.008","90","","1601","0.3","173.2","","173.2","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 B F13 -","- C17 B0.5 F12.5 -","- C68 B2 F50 -","4","0.5","","Preston A. Chase; Warren E. Piers; Brian O. Patrick","New Fluorinated 9-Borafluorene Lewis Acids","Journal of the American Chemical Society","2000","122","","12911","12912","10.1021/ja005607u","","","0.7107","MoKα","","0.0724","0.042","","0.1208","","0.057","","","1.688","","","1.688","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116274","25.241","0.003","10.755","0.002","24.913","0.002","90","","112.302","0.003","90","","6257.2","1.5","173.2","","173.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H31 B F8 Zr -","- C35.125 H30.875 B F8 Zr -","- C281 H247 B8 F64 Zr8 -","8","1","","Preston A. Chase; Warren E. Piers; Brian O. Patrick","New Fluorinated 9-Borafluorene Lewis Acids","Journal of the American Chemical Society","2000","122","","12911","12912","10.1021/ja005607u","","","0.7107","MoKα","","0.0685","0.039","","0.1109","","0.051","","","1.823","","","1.823","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116275","8.1922","0.0006","20.794","0.001","21.859","0.002","90","","98.922","0.001","90","","3678.6","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H5 B Cl Ir N6 O2 -","- C35.5 H45 B Cl Ir N6 O2 -","- C142 H180 B4 Cl4 Ir4 N24 O8 -","4","1","","Enrique Gutiérrez-Puebla; Angeles Monge; Margarita Paneque; Manuel L. Poveda; Verónica Salazar; Ernesto Carmona","Activation of Aldehydes by the Ir-2,3-Dimethylbutadiene Complex TpMe2Ir(CH2C(Me)C(Me)CH2)","Journal of the American Chemical Society","1999","121","","248","249","10.1021/ja9819357","","","0.71073","MoKα","","0.0609","0.0568","","0.1706","0.1658","","","","1.01","1.023","1.023","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116276","15.2024","0.0002","24.4219","0.0001","17.1093","0.0002","90","","96.844","0.001","90","","6306.93","0.11","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69 H60 N16 Ni4 -","- C69 H60 N16 Ni4 -","- C276 H240 N64 Ni16 -","4","1","","Shie-Yang Lai; Tzu-Wei Lin; Yu-Hua Chen; Chih-Chieh Wang; Gene-Hsiang Lee; Ming-hwa Yang; Man-kit Leung; Shie-Ming Peng","Metal String Complexes: Synthesis and Crystal Structure of [Ni4(μ4-phdpda)4] and [Ni7(μ7-teptra)4Cl2] (H2phdpda = N-Phenyldipyridyldiamine and H3teptra = Tetrapyridyltriamine)","Journal of the American Chemical Society","1999","121","","250","251","10.1021/ja982065w","","","0.71073","MoKα","","0.0886","0.0477","","0.1421","0.1213","","","","1.012","1.099","1.099","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116277","19.7542","0.0007","16.9432","0.0005","28.5946","0.0009","90","","95.868","0.001","90","","9520.4","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C83 H59 Cl11 N28 Ni7 -","- C83 H59 Cl11 N28 Ni7 -","- C332 H236 Cl44 N112 Ni28 -","4","1","","Shie-Yang Lai; Tzu-Wei Lin; Yu-Hua Chen; Chih-Chieh Wang; Gene-Hsiang Lee; Ming-hwa Yang; Man-kit Leung; Shie-Ming Peng","Metal String Complexes: Synthesis and Crystal Structure of [Ni4(μ4-phdpda)4] and [Ni7(μ7-teptra)4Cl2] (H2phdpda = N-Phenyldipyridyldiamine and H3teptra = Tetrapyridyltriamine)","Journal of the American Chemical Society","1999","121","","250","251","10.1021/ja982065w","","","0.71073","MoKα","","0.1506","0.0824","","0.302","0.246","","","","1.072","1.215","1.215","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116278","12.3729","0.0004","12.3729","0.0004","12.3729","0.0004","79.96","","79.96","","79.96","","1816.23","0.1","223","2","223","2","","","","","","","","5","R -3 :R","-P 3*","148","","methylviologen lead(II) iodide","","- C12 H14 I6 N2 Pb2 -","- C12 H14 I6 N2 Pb2 -","- C36 H42 I18 N6 Pb6 -","3","0.5","","Zhongjia Tang; Arnold M. Guloy","A Methylviologen Lead(II) Iodide: Novel [PbI3-]∞Chains with Mixed Octahedral and Trigonal Prismatic Coordination","Journal of the American Chemical Society","1999","121","","452","453","10.1021/ja982702i","","","0.71073","MoKα","","0.0427","0.0377","","0.0988","0.0951","","","","1.174","1.185","1.185","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116279","23.605","0.004","12.824","0.002","25.648","0.004","90","","104.041","0.0005","90","","7532","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[OsCl(O)(dcpe)2]BPh4","","","- C77 H118 B Cl3 O Os P4 -","- C77 H102 B Cl3 O Os P4 -","- C308 H408 B4 Cl12 O4 Os4 P16 -","4","1","","Peter Barthazy; Michael Wörle; Antonio Mezzetti","Dioxygen Activation at [OsCl(dcpe)2]+ Gives [OsCl(O)(dcpe)2]+, the First Stable Oxo Complex of Osmium(IV)","Journal of the American Chemical Society","1999","121","","480","481","10.1021/ja982736q","","","0.71073","MoKα","","0.1163","0.0462","","0.1148","0.0904","","","","0.979","1.067","1.067","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116280","23.585","0.004","12.764","0.002","25.587","0.004","90","","103.988","0.001","90","","7474","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[OsCl(O2)(dcpe)2]BPh4","","","- C77 H118 B Cl3 O2 Os P4 -","- C77 H107 B Cl3 O2 Os P4 -","- C308 H428 B4 Cl12 O8 Os4 P16 -","4","1","","Peter Barthazy; Michael Wörle; Antonio Mezzetti","Dioxygen Activation at [OsCl(dcpe)2]+ Gives [OsCl(O)(dcpe)2]+, the First Stable Oxo Complex of Osmium(IV)","Journal of the American Chemical Society","1999","121","","480","481","10.1021/ja982736q","","","0.71073","MoKα","","0.0869","0.046","","0.1181","0.0999","","","","0.973","1.044","1.044","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116281","12.859","0.001","4.999","0.004","19.429","0.005","90","","104.12","0.03","90","","1211.2","1","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 O2 -","- C12 H22 O2 -","- C48 H88 O8 -","4","1","","Robert A. Batey; Avinash N. Thadani; Alan J. Lough","Alkenylboronate Tethered Intramolecular Diels-Alder Reactions","Journal of the American Chemical Society","1999","121","","450","451","10.1021/ja9828004","","","0.71073","MoKα","","0.0998","0.0492","","","0.1151","0.1269","","","","","","0.895","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116282","11.267","0.001","5.48","0.001","19.522","0.001","90","","94.15","0.03","90","","1202.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Robert A. Batey; Avinash N. Thadani; Alan J. Lough","Alkenylboronate Tethered Intramolecular Diels-Alder Reactions","Journal of the American Chemical Society","1999","121","","450","451","10.1021/ja9828004","","","0.71073","MoKα","","0.0698","0.0542","","","0.1513","0.1643","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116283","10.079","0.001","11.954","0.001","13.802","0.001","70.43","0.01","80.85","0.01","83.42","0.01","1543.6","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O2 -","- C18 H24 O2 -","- C72 H96 O8 -","4","2","","Robert A. Batey; Avinash N. Thadani; Alan J. Lough","Alkenylboronate Tethered Intramolecular Diels-Alder Reactions","Journal of the American Chemical Society","1999","121","","450","451","10.1021/ja9828004","","","0.71073","MoKα","","0.0531","0.0442","","","0.1129","0.12","","","","","","1.061","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116284","10.3504","0.0004","10.9465","0.0003","10.9959","0.0004","90","","113.698","0.002","90","","1140.79","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 B O2 -","- C11 H19 B O2 -","- C44 H76 B4 O8 -","4","1","","Robert A. Batey; Avinash N. Thadani; Alan J. Lough","Alkenylboronate Tethered Intramolecular Diels-Alder Reactions","Journal of the American Chemical Society","1999","121","","450","451","10.1021/ja9828004","","","0.71073","MoKα","","0.0719","0.0503","","","0.1446","0.1574","","","","","","1.093","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116285","6.1603","0.00001","7.2903","0.0002","15.9207","0.0001","95.679","0.001","95.058","0.001","96.741","0.001","702.97","0.02","173","2","173","2","","","","","","","C. Evans / Prof. M. Ward","5","P -1","-P 1","2","guanidinium azobenzene-4,4'-disulfonate . 1,4-divinylbenzene","","","- C24 H30 N8 O6 S2 -","- C24 H30 N8 O6 S2 -","- C24 H30 N8 O6 S2 -","1","0.5","","Cara C. Evans; Lisa Sukarto; Michael D. Ward","Sterically Controlled Architectural Reversion in Hydrogen-Bonded Crystalline Clathrates","Journal of the American Chemical Society","1999","121","","320","325","10.1021/ja983122o","","","0.71073","MoKα","","0.0485","0.04","","0.1053","0.0989","","","","1.054","1.067","1.067","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116286","7.1781","0.0003","7.3188","0.0004","16.7531","0.0007","89.185","0.002","89.696","0.002","62.094","0.001","777.7","0.06","173","2","173","2","","","","","","","C. Evans / Prof. M. Ward","5","P -1","-P 1","2","guanidinium azobenzene-4,4'-disulfonate . nitrobenzene","","","- C14 H20 N8 O6 S2 -","- C14 H20 N8 O6 S2 -","- C14 H20 N8 O6 S2 -","1","0.5","","Cara C. Evans; Lisa Sukarto; Michael D. Ward","Sterically Controlled Architectural Reversion in Hydrogen-Bonded Crystalline Clathrates","Journal of the American Chemical Society","1999","121","","320","325","10.1021/ja983122o","","","0.71073","MoKα","","0.0841","0.0673","","0.2125","0.2","","","","1.122","1.259","1.259","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116287","6.1845","0.0001","7.2317","0.0002","15.5039","0.0002","94.232","0.001","99.868","0.001","90.512","0.001","681.12","0.02","173","2","173","2","","","","","","","C. Evans / Prof. M. Ward","6","P -1","-P 1","2","guanidinium azobenzene-4,4'-disulfonate . 1,4-dibromobenzene","","","- C20 H24 Br2 N8 O6 S2 -","- C20 H24 Br2 N8 O6 S2 -","- C20 H24 Br2 N8 O6 S2 -","1","0.5","","Cara C. Evans; Lisa Sukarto; Michael D. Ward","Sterically Controlled Architectural Reversion in Hydrogen-Bonded Crystalline Clathrates","Journal of the American Chemical Society","1999","121","","320","325","10.1021/ja983122o","","","0.71073","MoKα","","0.0818","0.0643","","0.1684","0.1593","","","","1.091","1.171","1.171","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116288","11.873","0.004","9.556","0.004","14.089","0.003","90","","92.13","0.02","90","","1597.4","0.9","296.2","","296.2","","","","","","","","prepared by T. Mitsudo et al.","5","P 1 21/n 1","-P 2yn","14","[Cp*RuCl(SPh)]2","","","- C32 H40 Cl2 Ru2 S2 -","- C64 H80 Cl4 Ru4 S4 -","- C128 H160 Cl8 Ru8 S8 -","2","0.5","","Teruyuki Kondo; Shin-ya Uenoyama; Ken-ichi Fujita; Take-aki Mitsudo","First Transition-Metal Complex Catalyzed Addition of Organic Disulfides to Alkenes Enables the Rapid Synthesis of vicinal-Dithioethers","Journal of the American Chemical Society","1999","121","","482","483","10.1021/ja983497+","","","0.7107","MoKα","","0.0428","0.0428","","","0.0459","0.0459","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4116289","22.72","0.02","22.72","0.02","13.54","0.01","90","","90","","90","","6989","10","153.2","","153.2","","","","","","","","","6","I -4","I -4","82","","","","- C52 H32 Cl4 N8 O12 Re4 -","- C58 H32 Cl4 N8 O14 Re4 -","- C232 H128 Cl16 N32 O56 Re16 -","4","0.5","","Suzanne Bélanger; Joseph T. Hupp; Charlotte L. Stern; Robert V. Slone; David F. Watson; Thomas G. Carrell","Thin-Film Molecular Materials Based on Tetrametallic ""Squares"": Nanoscale Porosity and Size-Selective Guest Transport Characteristics","Journal of the American Chemical Society","1999","121","","557","563","10.1021/ja9829867","","","0.7107","MoKα","","0.1322","0.0587","","0.0656","0.0595","","","","1.822","2.063","2.063","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116290","16.347","0.003","18.661","0.004","6.621","0.001","98.4","0.02","96.53","0.02","112.44","0.01","1814.8","0.6","293.2","","293.2","","","","","","","","electrochemical oxidation","7","P -1","-P 1","2","lambda-(BETS)2GaBr2.0Cl2.0","","","- C20 H16 Br2 Cl2 Ga S8 Se8 -","- C20 H16 Cl6.123 Ga S8 Se8 -","- C40 H32 Cl12.246 Ga2 S16 Se16 -","2","1","","Hisashi Tanaka; Akiko Kobayashi; Akane Sato; Hiroki Akutsu; Hayao Kobayashi","Chemical Control of Electrical Properties and Phase Diagram of a Series of λ-Type BETS Superconductors, λ-(BETS)2GaBrxCl4-x","Journal of the American Chemical Society","1999","121","","760","768","10.1021/ja9827806","","","0.7107","MoKα","","","0.0439","","","0.0279","","","","","1.764","1.764","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116291","16","0.01","18.42","0.01","6.535","0.005","98.79","0.05","95.49","0.07","112.1","0.04","1739","2","7.2","","7.2","","","","","","","","electrochemical oxidation","7","P -1","-P 1","2","lambda-(BETS)2GaBr1.3Cl2.7-7K","","","- C20 H16 Br1.3 Cl2.7 Ga S8 Se8 -","- C20 H16 Cl5.47 Ga S8 Se8 -","- C40 H32 Cl10.94 Ga2 S16 Se16 -","2","1","","Hisashi Tanaka; Akiko Kobayashi; Akane Sato; Hiroki Akutsu; Hayao Kobayashi","Chemical Control of Electrical Properties and Phase Diagram of a Series of λ-Type BETS Superconductors, λ-(BETS)2GaBrxCl4-x","Journal of the American Chemical Society","1999","121","","760","768","10.1021/ja9827806","","","0.7107","MoKα","","","0.0608","","","0.0843","","","","","4.956","4.956","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116292","15.906","0.004","18.43","0.005","6.536","0.002","98.6","0.02","95.81","0.03","111.99","0.02","1730.6","0.9","7.2","","7.2","","","","","","","","electrochemical oxidation","7","P -1","-P 1","2","lambda-(BETS)2GaBr0.3Cl3.3-7K","","","- C20 H16 Br0.3 Cl3.7 Ga S8 Se8 -","- C20 H16 Cl4.57 Ga S8 Se8 -","- C40 H32 Cl9.14 Ga2 S16 Se16 -","2","1","","Hisashi Tanaka; Akiko Kobayashi; Akane Sato; Hiroki Akutsu; Hayao Kobayashi","Chemical Control of Electrical Properties and Phase Diagram of a Series of λ-Type BETS Superconductors, λ-(BETS)2GaBrxCl4-x","Journal of the American Chemical Society","1999","121","","760","768","10.1021/ja9827806","","","0.7107","MoKα","","","0.0663","","","0.0783","","","","","3.594","3.594","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116293","19.9721","0.0005","7.0005","0.0001","19.5456","0.0005","90","","104.013","0.001","90","","2651.44","0.1","298","2","298","2","","","","","","","chemical synthesis","2","P 1 21/c 1","-P 2ybc","14","Hexabenzotriphenylene","Dibenzo[f,j]phenanthro[9,10-s]picene","","- C42 H24 -","- C42 H24 -","- C168 H96 -","4","1","","Lisa Barnett; Douglas M. Ho; Kim K. Baldridge; Robert A. Pascal","The Structure of Hexabenzotriphenylene and the Problem of Overcrowded ""D3h"" Polycyclic Aromatic Compounds","Journal of the American Chemical Society","1999","121","","727","733","10.1021/ja983471i","","","0.71074","MoKα","","0.1007","0.0512","","0.1327","0.1091","","","","1.013","1.095","1.095","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116294","6.6749","0.0016","11.7178","0.0014","8.6148","0.0014","90","","103.297","0.016","90","","655.7","0.2","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 N5 S3 -","- C4 N5 S3 -","- C16 N20 S12 -","4","1","","T. M. Barclay; A. W. Cordes; R. C. Haddon; M. E. Itkis; R. T. Oakley; R. W. Reed; H. Zhang","Preparation and Characterization of a Neutral π-Radical Molecular Conductor","Journal of the American Chemical Society","1999","121","","969","976","10.1021/ja983490s","","","0.7107","MolybdenumKα","","0.037","","","0.05","","","","","","1.25","1.25","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116295","8.699","0.0011","6.8203","0.0017","9.4167","0.001","90","","111.261","0.009","90","","520.67","0.16","293","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C4 Cl3 N5 S3 -","- C4 Cl3 N5 S3 -","- C8 Cl6 N10 S6 -","2","0.5","","T. M. Barclay; A. W. Cordes; R. C. Haddon; M. E. Itkis; R. T. Oakley; R. W. Reed; H. Zhang","Preparation and Characterization of a Neutral π-Radical Molecular Conductor","Journal of the American Chemical Society","1999","121","","969","976","10.1021/ja983490s","","","0.7107","MolybdenumKα","","0.032","","","0.036","","","","","","1.21","1.21","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116296","12.221","0.008","11.052","0.007","18.194","0.009","90","","97.12","0.03","90","","2438","3","298.2","","298.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H27 Br Cl2 N4 O10 Zn -","- C16 H27 Br Cl2 N4 O10 Zn -","- C64 H108 Br4 Cl8 N16 O40 Zn4 -","4","1","","Eiichi Kimura; Teruhiro Gotoh; Tohru Koike; Motoo Shiro","Dynamic Enolate Recognition in Aqueous Solution by Zinc(II) in a Phenacyl-Pendant Cyclen Complex: Implications for the Role of Zinc(II) in Class II Aldolases","Journal of the American Chemical Society","1999","121","","1267","1274","10.1021/ja982904e","","","0.7107","MoKα","","","0.041","","","0.0461","","","","","1.181","1.181","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116297","11.372","0.002","14.061","0.003","15.233","0.003","90","","103.12","0.03","90","","2372.2","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-{(C5Me5)Ru}2B3H9","","- C20 H39 B3 Ru2 -","- C20 H30 B3 Ru2 -","- C80 H120 B12 Ru8 -","4","0.5","","Xinjian Lei; Maoyu Shang; Thomas P. Fehlner","Chemistry of Dimetallaboranes Derived from the Reaction of [Cp*MCl2]2 with Monoboranes (M = Ru, Rh; Cp* = η5-C5Me5)","Journal of the American Chemical Society","1999","121","","1275","1287","10.1021/ja982954j","","","0.71073","MoKα","","0.0736","0.0657","","","0.1804","0.1885","","","","","","1.093","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116298","34.003","0.003","34.003","0.003","8.3206","0.0011","90","","90","","90","","9620.3","1.7","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","{(C5Me5)Ru}2B4H10","","- C20 H40 B4 Ru2 -","- C20 H40 B4 Ru2 -","- C320 H640 B64 Ru32 -","16","1","","Xinjian Lei; Maoyu Shang; Thomas P. Fehlner","Chemistry of Dimetallaboranes Derived from the Reaction of [Cp*MCl2]2 with Monoboranes (M = Ru, Rh; Cp* = η5-C5Me5)","Journal of the American Chemical Society","1999","121","","1275","1287","10.1021/ja982954j","","","0.71073","MoKα","","0.0364","0.0278","","0.0879","0.0658","","","","1.067","1.006","1.006","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116299","8.532","0.003","38.001","0.004","9.327","0.003","90","","116.68","0.03","90","","2702.1","1.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","1-(Cp*Ru)-2-(Cp*RuCO)-3-Co(CO)2-(mu-CO)B3H6","","- C24 H36 B3 Co O4 Ru2 -","- C24 H36 B3 Co O4 Ru2 -","- C96 H144 B12 Co4 O16 Ru8 -","4","1","","Xinjian Lei; Maoyu Shang; Thomas P. Fehlner","Chemistry of Dimetallaboranes Derived from the Reaction of [Cp*MCl2]2 with Monoboranes (M = Ru, Rh; Cp* = η5-C5Me5)","Journal of the American Chemical Society","1999","121","","1275","1287","10.1021/ja982954j","","","0.71073","MoKα","","0.0653","0.0644","","0.1768","0.1759","","","","1.082","1.085","1.085","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116300","8.7431","0.0015","8.901","0.0015","16.019","0.003","105.446","0.012","103.633","0.014","90.769","0.013","1163.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,3-{Cp*Ru}2B4H8","","- C20 H38 B4 Ru2 -","- C20 H38 B4 Ru2 -","- C40 H76 B8 Ru4 -","2","1","","Xinjian Lei; Maoyu Shang; Thomas P. Fehlner","Chemistry of Dimetallaboranes Derived from the Reaction of [Cp*MCl2]2 with Monoboranes (M = Ru, Rh; Cp* = η5-C5Me5)","Journal of the American Chemical Society","1999","121","","1275","1287","10.1021/ja982954j","","","0.71073","MoKα","","0.0349","0.0321","","0.0864","0.0836","","","","1.125","1.164","1.164","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116301","9.241","0.003","15.112","0.003","20.047","0.003","90","","99.944","0.01","90","","2757.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{Cp*Ru}2{Fe(CO)3}(mu-CO)B4H4","","- C24 H34 B4 Fe O4 Ru2 -","- C24 H34 B4 Fe O4 Ru2 -","- C96 H136 B16 Fe4 O16 Ru8 -","4","1","","Xinjian Lei; Maoyu Shang; Thomas P. Fehlner","Chemistry of Dimetallaboranes Derived from the Reaction of [Cp*MCl2]2 with Monoboranes (M = Ru, Rh; Cp* = η5-C5Me5)","Journal of the American Chemical Society","1999","121","","1275","1287","10.1021/ja982954j","","","0.71073","MoKα","","0.0363","0.0323","","0.0912","0.0866","","","","1.108","1.11","1.11","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116302","15.2677","0.0014","8.7342","0.0011","17.324","0.002","90","","103.572","0.009","90","","2245.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","{2,3-(Cp*Rh)2}B3H7","","- C20 H37 B3 Rh2 -","- C20 H37 B3 Rh2 -","- C80 H148 B12 Rh8 -","4","1","","Xinjian Lei; Maoyu Shang; Thomas P. Fehlner","Chemistry of Dimetallaboranes Derived from the Reaction of [Cp*MCl2]2 with Monoboranes (M = Ru, Rh; Cp* = η5-C5Me5)","Journal of the American Chemical Society","1999","121","","1275","1287","10.1021/ja982954j","","","0.71073","MoKα","","0.0298","0.0266","","0.0739","0.0713","","","","1.105","1.116","1.116","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116303","9.476","0.003","22.133","0.008","15.815","0.005","90","","91.75","0.03","90","","3315.4","1.9","128","5","293","2","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 O Si2 Y -","- C31 H55 O Si2 Y -","- C124 H220 O4 Si8 Y4 -","4","1","","Wim T. Klooster; Lee Brammer; Colin J. Schaverien; Peter H. M. Budzelaar","C-H Bonds Are Not Elongated by Coordination to Lanthanide Metals: Single-Crystal Neutron Diffraction Structures of (C5Me5)Y(OC6H3tBu2)CH(SiMe3)2 at 20 K and (C5Me5)La{CH(SiMe3)2}2 at 15 K","Journal of the American Chemical Society","1999","121","","1381","1382","10.1021/ja983068b","","","0.71073","MoKα","","0.1329","0.0695","","0.2285","0.1548","","","","0.993","1.042","1.042","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116304","9.393","0.001","22.099","0.004","15.768","0.003","90","","92.52","0.01","90","","3269.9","0.9","20","0.5","20","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 O Si2 Y -","- C31 H55 O Si2 Y -","- C124 H220 O4 Si8 Y4 -","4","1","","Wim T. Klooster; Lee Brammer; Colin J. Schaverien; Peter H. M. Budzelaar","C-H Bonds Are Not Elongated by Coordination to Lanthanide Metals: Single-Crystal Neutron Diffraction Structures of (C5Me5)Y(OC6H3tBu2)CH(SiMe3)2 at 20 K and (C5Me5)La{CH(SiMe3)2}2 at 15 K","Journal of the American Chemical Society","1999","121","","1381","1382","10.1021/ja983068b","","neutron","1.15863","neutron","","0.164","0.164","","0.112","0.112","","","","1.064","1.064","1.064","","","","","has coordinates","282086","2023-03-28","13:50:54",""
"4116305","18.458","0.005","18.458","0.005","15.936","0.005","90","","90","","120","","4702","2","15","0.5","15","","","","","","","","","4","P 63","P 6c","173","","","","- C24 H53 La Si4 -","- C24 H53 La Si4 -","- C144 H318 La6 Si24 -","6","1","","Wim T. Klooster; Lee Brammer; Colin J. Schaverien; Peter H. M. Budzelaar","C-H Bonds Are Not Elongated by Coordination to Lanthanide Metals: Single-Crystal Neutron Diffraction Structures of (C5Me5)Y(OC6H3tBu2)CH(SiMe3)2 at 20 K and (C5Me5)La{CH(SiMe3)2}2 at 15 K","Journal of the American Chemical Society","1999","121","","1381","1382","10.1021/ja983068b","","neutron","1.15863","neutron","","0.221","0.221","","0.101","0.101","","","","1.289","1.289","1.289","","","","","has coordinates","282086","2023-03-28","13:50:54",""
"4116306","20.488","0.004","17.89","0.004","25.116","0.005","90","","90","","90","","9206","3","293","2","293","2","","","","","","","","10","P n a 21","P 2c -2n","33","","","","- C81 H114 Cl2 Cr F6 Fe2 N6 O9 P S6 -","- C81 H114 Cl2 Cr F6 Fe2 N6 O9 P S6 -","- C324 H456 Cl8 Cr4 F24 Fe8 N24 O36 P4 S24 -","4","1","","Thorsten Glaser; Thomas Beissel; Eckhard Bill; Thomas Weyhermüller; Volker Schünemann; Wolfram Meyer-Klaucke; Alfred X. Trautwein; Karl Wieghardt","Electronic Structure of Linear Thiophenolate-Bridged Heterotrinuclear Complexes [LFeMFeL]n+ (M = Cr, Co, Fe; n= 1-3): Localized vs Delocalized Models","Journal of the American Chemical Society","1999","121","","2193","2208","10.1021/ja982898m","","","0.71073","MoKα","","0.1216","0.0631","","0.2147","0.1671","","","","0.987","1.065","1.065","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116307","13.173","0.003","13.453","0.003","15.675","0.004","104.1","0.03","99.5","0.03","90.74","0.03","2653.1","1.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C96 H138 Co F18 Fe2 N12 O2 P3 S6 -","- C96 H120 Co F18 Fe2 N12 O2 P3 S6 -","- C96 H120 Co F18 Fe2 N12 O2 P3 S6 -","1","0.5","","Thorsten Glaser; Thomas Beissel; Eckhard Bill; Thomas Weyhermüller; Volker Schünemann; Wolfram Meyer-Klaucke; Alfred X. Trautwein; Karl Wieghardt","Electronic Structure of Linear Thiophenolate-Bridged Heterotrinuclear Complexes [LFeMFeL]n+ (M = Cr, Co, Fe; n= 1-3): Localized vs Delocalized Models","Journal of the American Chemical Society","1999","121","","2193","2208","10.1021/ja982898m","","","0.71073","MoKα","","0.0909","0.0647","","0.1971","0.1728","","","","1.043","1.059","1.059","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116308","15.403","0.003","16.474","0.003","22.935","0.004","94.38","0.03","94.36","0.03","91.61","0.03","5782.6","1.9","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C111 H146 B2 F4 Fe3 N6 O3 S6 -","- C108 H110 B2 F4 Fe3 N6 O2 S6 -","- C216 H220 B4 F8 Fe6 N12 O4 S12 -","2","1","","Thorsten Glaser; Thomas Beissel; Eckhard Bill; Thomas Weyhermüller; Volker Schünemann; Wolfram Meyer-Klaucke; Alfred X. Trautwein; Karl Wieghardt","Electronic Structure of Linear Thiophenolate-Bridged Heterotrinuclear Complexes [LFeMFeL]n+ (M = Cr, Co, Fe; n= 1-3): Localized vs Delocalized Models","Journal of the American Chemical Society","1999","121","","2193","2208","10.1021/ja982898m","","","0.71073","MoKα","","0.1448","0.101","","0.3183","0.2347","","","","1.103","1.142","1.142","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116309","14.083","0.003","12.329","0.001","23.834","0.003","90","","97.36","0.01","90","","4104.2","1.1","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetraphenylphosphonium nonacarbonyltri(μ-hydrido)(μ~3~-methyl)trirhenate diethylether solvate","","- C38 H36 O10 P Re3 -","- C34 H26 O9 P Re3 -","- C136 H104 O36 P4 Re12 -","4","1","","T. Beringhelli; G. D'Alfonso; M. Panigati; F. Porta; P. Mercandelli; M. Moret; A. Sironi","A Methyl Group Bridging on Three Metal Atoms. Solid-State and Solution Structural Characterization of the [Re3(μ-H)3(μ3-CH3)(CO)9]- Anion","Journal of the American Chemical Society","1999","121","","2307","2308","10.1021/ja983379m","","","0.71073","MoKα","","0.0355","0.0208","","0.0463","0.0443","","","","0.942","","","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116310","14.3763","0.0008","16.6844","0.0015","15.0123","0.0012","90","","100.424","0.006","90","","3541.4","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 F6 P3 W -","- C36 H42 F6 P3 W -","- C144 H168 F24 P12 W4 -","4","1","","Brett Pleune; Dolores Morales; Rita Meunier-Prest; Philippe Richard; Edmond Collange; James C. Fettinger; Rinaldo Poli","Stable Paramagnetic Half-Sandwich Mo(V) and W(V) Polyhydride Complexes. Structural, Spectroscopic, Electrochemical, Theoretical, and Decomposition Mechanism Studies of [Cp*MH3(dppe)]+ (M = Mo, W)","Journal of the American Chemical Society","1999","121","","2209","2225","10.1021/ja9834881","","","0.71073","MoKα","","0.0713","0.0412","","0.0861","0.0767","","","","1.076","1.131","1.131","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116311","14.4683","0.0015","16.4788","0.0015","15.0809","0.0015","90","","100.14","0.008","90","","3539.4","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H43 F6 P3 W -","- C36 H39 F6 P3 W -","- C144 H156 F24 P12 W4 -","4","1","","Brett Pleune; Dolores Morales; Rita Meunier-Prest; Philippe Richard; Edmond Collange; James C. Fettinger; Rinaldo Poli","Stable Paramagnetic Half-Sandwich Mo(V) and W(V) Polyhydride Complexes. Structural, Spectroscopic, Electrochemical, Theoretical, and Decomposition Mechanism Studies of [Cp*MH3(dppe)]+ (M = Mo, W)","Journal of the American Chemical Society","1999","121","","2209","2225","10.1021/ja9834881","","","0.71073","MoKα","","0.1035","0.0558","","","0.1101","0.1265","","","","","","1.056","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116312","13.222","0.003","14.062","0.003","14.818","0.003","90","","112.76","0.03","90","","2540.5","1.1","173","2","293","2","","","","","","","Y. Zang / Prof. Que","6","P 1 21/n 1","-P 2yn","14","40215","","","- C50 H64 Cl2 Fe2 N8 O12 -","- C50 H64 Cl2 Fe2 N8 O12 -","- C100 H128 Cl4 Fe4 N16 O24 -","2","0.5","","Hui Zheng; Yan Zang; Yanhong Dong; Victor G. Young; Lawrence Que","Complexes with FeIII2(μ-O)(μ-OH), FeIII2(μ-O)2, and [FeIII3(μ2-O)3] Cores: Structures, Spectroscopy, and Core Interconversions","Journal of the American Chemical Society","1999","121","","2226","2235","10.1021/ja983615t","","","0.71073","MoKα","","0.1184","0.0656","","0.1767","0.1468","","","","1.046","1.102","1.102","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116313","21.55","0.004","18.984","0.004","12.421","0.003","90","","93.55","0.03","90","","5071.7","1.9","173","2","173","2","","","","","","","Prof. L. Que / Zang","6","P 1 21/c 1","-P 2ybc","14","40167","","","- C46 H56 Cl3 Fe2 N8 O15 -","- C46 H56 Cl3 Fe2 N8 O15 -","- C184 H224 Cl12 Fe8 N32 O60 -","4","1","","Hui Zheng; Yan Zang; Yanhong Dong; Victor G. Young; Lawrence Que","Complexes with FeIII2(μ-O)(μ-OH), FeIII2(μ-O)2, and [FeIII3(μ2-O)3] Cores: Structures, Spectroscopy, and Core Interconversions","Journal of the American Chemical Society","1999","121","","2226","2235","10.1021/ja983615t","","","0.71073","MoKα","","0.1565","0.0685","","0.2013","0.1568","","","","1.01","1.088","1.088","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116314","13.5119","0.0006","11.3219","0.0005","18.6779","0.0008","90","","103.785","0.001","90","","2775.1","0.2","173","2","173","2","","","","","","","Y. Dong / Prof. L. Que","6","P 1 2/n 1","-P 2yac","13","97082","","","- C54 H47 Cl3 Fe2 N9 O14 -","- C54 H47 Cl3 Fe2 N9 O14 -","- C108 H94 Cl6 Fe4 N18 O28 -","2","0.5","","Hui Zheng; Yan Zang; Yanhong Dong; Victor G. Young; Lawrence Que","Complexes with FeIII2(μ-O)(μ-OH), FeIII2(μ-O)2, and [FeIII3(μ2-O)3] Cores: Structures, Spectroscopy, and Core Interconversions","Journal of the American Chemical Society","1999","121","","2226","2235","10.1021/ja983615t","","","0.71073","MoKα","","0.1044","0.067","","0.1574","0.141","","","","1.044","1.128","1.128","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116315","26.1539","0.0001","64.6139","0.0003","12.7408","0.0001","90","","90","","90","","21530.7","0.2","173","2","173","2","","","","","","","Y. Zang/ Prof. L. Que","6","F d d 2","F 2 -2d","43","95060","","","- C44 H68 Cl3 Fe2 N9 O15.5 -","- C44 H68 Cl3 Fe2 N9 O15.5 -","- C704 H1088 Cl48 Fe32 N144 O248 -","16","1","","Hui Zheng; Yan Zang; Yanhong Dong; Victor G. Young; Lawrence Que","Complexes with FeIII2(μ-O)(μ-OH), FeIII2(μ-O)2, and [FeIII3(μ2-O)3] Cores: Structures, Spectroscopy, and Core Interconversions","Journal of the American Chemical Society","1999","121","","2226","2235","10.1021/ja983615t","","","0.71073","MoKα","","0.051","0.0485","","0.1374","0.1327","","","","1.052","1.05","1.05","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116316","25.5756","0.0001","14.4026","0.0002","31.4563","0.0001","90","","105.625","0.001","90","","11158.9","0.17","173","2","173","2","","","","","","","Prof. Que / H. Zheng","7","C 1 c 1","C -2yc","9","98094","","","- C124 H136 B2 Cl Fe3 N14 O7 -","- C124 H130 B2 Cl Fe3 N14 O7 -","- C496 H520 B8 Cl4 Fe12 N56 O28 -","4","1","","Hui Zheng; Yan Zang; Yanhong Dong; Victor G. Young; Lawrence Que","Complexes with FeIII2(μ-O)(μ-OH), FeIII2(μ-O)2, and [FeIII3(μ2-O)3] Cores: Structures, Spectroscopy, and Core Interconversions","Journal of the American Chemical Society","1999","121","","2226","2235","10.1021/ja983615t","","","0.71073","MoKα","","0.0987","0.0656","","0.1332","0.1156","","","","1.089","1.098","1.098","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116317","12.968","0.004","13.279","0.005","12.825","0.003","109.21","0.03","95.38","0.03","114.22","0.02","1833.6","1.2","123.2","","123.2","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H64 B4 Bi Cl10 N24 Na S6 -","- C26 H30 B2 Bi0.5 Cl5 N12 Na0.5 S3 -","- C52 H60 B4 Bi Cl10 N24 Na S6 -","2","1","","John Reglinski; Mark D. Spicer; Mark Garner; Alan R. Kennedy","Structural Consequences of the Use of Hard and Soft Tripodal Ligands during Metathesis Reactions: Synthesis of the [Bis(hydrotris(methimazolyl)borato]bismuth(III) [Bis(hydrotris(pyrazolyl)borato]sodiate","Journal of the American Chemical Society","1999","121","","2317","2318","10.1021/ja983637f","","","0.7107","MoKalpha","","0.0917","0.0538","","0.1093","0.0641","","","","","1.412","1.412","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116318","9.456","0.002","12.088","0.003","13.02","0.003","78.44","0.02","72.55","0.02","69.8","0.02","1324.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 Br2 N2 Ni -","- C29 H28 Br2 N2 Ni -","- C58 H56 Br4 N4 Ni2 -","2","1","","Colin D. Abernethy; Jason A. C. Clyburne; Alan H. Cowley; Richard A. Jones","Reactions of Transition-Metal Metallocenes with Stable Carbenes","Journal of the American Chemical Society","1999","121","","2329","2330","10.1021/ja983772s","","","0.71073","MoKα","","0.1169","0.076","","0.2179","0.183","","","","1.069","1.121","1.121","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116319","11.165","0.003","9.693","0.002","23.201","0.005","90","","95.82","0.02","90","","2497.9","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 N4 Ni O -","- C26 H34 N4 Ni O0.5 -","- C104 H136 N16 Ni4 O2 -","4","1","","Colin D. Abernethy; Jason A. C. Clyburne; Alan H. Cowley; Richard A. Jones","Reactions of Transition-Metal Metallocenes with Stable Carbenes","Journal of the American Chemical Society","1999","121","","2329","2330","10.1021/ja983772s","","","0.71073","MoKα","","0.0847","0.055","","0.2675","0.1736","","","","1.03","0.843","0.843","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116320","25.839","0.005","9.501","0.002","21.716","0.005","90","","107.064","0.012","90","","5096.5","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H76 Cr2 N8 O -","- C52.08 H76.42 Cr2 N8 O -","- C208.32 H305.68 Cr8 N32 O4 -","4","1","","Colin D. Abernethy; Jason A. C. Clyburne; Alan H. Cowley; Richard A. Jones","Reactions of Transition-Metal Metallocenes with Stable Carbenes","Journal of the American Chemical Society","1999","121","","2329","2330","10.1021/ja983772s","","","0.71073","MoKα","","0.0789","0.0469","","0.1399","0.1177","","","","1.112","1.15","1.15","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116321","8.833","0.002","11.178","0.002","11.431","0.002","100.588","0.008","112.708","0.006","113.218","0.012","878.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-(2-(2,5-dimethyl(3-thienyl))-3,3,4,4,5,6-hexafluorocyclopent-1-enyl)-2,5-d imethylthiophene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C34 H28 F12 S4 -","2","1","","Seiya Kobatake; Taro Yamada; Kingo Uchida; Nobuo Kato; Masahiro Irie","Photochromism of 1,2-Bis(2,5-dimethyl-3-thienyl)perfluoro- cyclopentene in a Single Crystalline Phase","Journal of the American Chemical Society","1999","121","","2380","2386","10.1021/ja983717j","","","0.71073","MoKα","","0.0507","0.0346","","","0.0969","0.1044","","","","","","0.969","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116322","6.3533","0.0015","24.75","0.006","11.46","0.003","90","","104.891","0.004","90","","1741.5","0.7","304","2","304","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8,8,9,9,10,10-hexafluoro-1,2,4,14-tetramethyl-3,15-dithiatetracyclo[10.3.0.0^2,6^.0^7,11^]pentadeca-4,6(7),11(12),13-tetraene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","1","","Seiya Kobatake; Taro Yamada; Kingo Uchida; Nobuo Kato; Masahiro Irie","Photochromism of 1,2-Bis(2,5-dimethyl-3-thienyl)perfluoro- cyclopentene in a Single Crystalline Phase","Journal of the American Chemical Society","1999","121","","2380","2386","10.1021/ja983717j","","","0.71073","MoKα","","0.1811","0.084","","","0.1592","0.1923","","","","","","1.027","","","","has coordinates","211399","2020-10-21","18:00:00",""
"4116323","10.417","0.002","13.436","0.0016","19.23","0.005","107.841","0.017","101.989","0.02","93.318","0.016","2484.7","0.9","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C61 H51 Ir O P2 -","- C58.5 H43 Ir O P2 -","- C117 H86 Ir2 O2 P4 -","2","1","","Robert D. Gilbertson; Timothy J. R. Weakley; Michael M. Haley","Direct Synthesis of an Iridabenzene from a Nucleophilic 3-Vinyl-1-cyclopropene","Journal of the American Chemical Society","1999","121","","2597","2598","10.1021/ja984420o","","","0.71073","MoKα","","0.06","0.05","","0.067","","0.066","","","3.01","","","3.17","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116324","15.385","0.003","12.688","0.003","17.532","0.003","90","","107.48","","90","","3264.3","1.1","150","0.5","0","","","","","","","","?","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H0 F13 N4 O U2 -","- C10 F13 N4 O U2 -","- C40 F52 N16 O4 U8 -","4","1","","R. J. Francis; P. S. Halasyamani; J. S. Bee; D. O'Hare","Variable Dimensionality in the Uranium Fluoride/2-Methyl-Piperazine System: Syntheses and Structures of UFO-5, -6, and -7; Zero-, One-, and Two-Dimensional Materials with Unprecedented Topologies","Journal of the American Chemical Society","1999","121","","1609","1610","10.1021/ja983629z","","","0.7107","MoKα","","","0.074","","","0.093","","","","","0.9368","0.9368","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116325","13.702","0.001","12.555","0.001","6.607","0.001","90","","107.08","0.04","90","","1086.5","0.3","150","0.5","150","0.5","","","","","","","synthesis as described","6","C 1 2/m 1","-C 2y","12","","","","- C5 H16 F12 N2 O U2 -","- C10 H26 F12 N4 O2 U2 -","- C20 H52 F24 N8 O4 U4 -","2","0.25","","R. J. Francis; P. S. Halasyamani; J. S. Bee; D. O'Hare","Variable Dimensionality in the Uranium Fluoride/2-Methyl-Piperazine System: Syntheses and Structures of UFO-5, -6, and -7; Zero-, One-, and Two-Dimensional Materials with Unprecedented Topologies","Journal of the American Chemical Society","1999","121","","1609","1610","10.1021/ja983629z","","","0.71073","MoKα","","0.0329","0.0307","","0.0707","0.0695","","","","1.104","1.107","1.107","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116326","19.366","0.001","8.599","0.001","14.249","0.001","90","","99.165","0.003","90","","2342.6","0.3","150","0.5","150","0.5","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H17 F11 N2 O U2 -","- C2.5 H6.5 F11 N O U2 -","- C20 H52 F88 N8 O8 U16 -","8","1","","R. J. Francis; P. S. Halasyamani; J. S. Bee; D. O'Hare","Variable Dimensionality in the Uranium Fluoride/2-Methyl-Piperazine System: Syntheses and Structures of UFO-5, -6, and -7; Zero-, One-, and Two-Dimensional Materials with Unprecedented Topologies","Journal of the American Chemical Society","1999","121","","1609","1610","10.1021/ja983629z","","","0.71073","MoKα","","0.064","0.0541","","0.1571","0.1471","","","","1.072","1.097","1.097","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116327","14.6181","0.0011","8.3199","0.0007","11.878","0.0009","90","","115.877","0.003","90","","1299.77","0.18","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","HMPE(gly)2","","","- C10 H18 N2 O4 P2 -","- C10 H20 N2 O4 P2 -","- C40 H80 N8 O16 P8 -","4","0.5","","Douglas E. Berning; Kattesh V. Katti; Charles L. Barnes; Wynn A. Volkert","Chemical and Biomedical Motifs of the Reactions of Hydroxymethylphosphines with Amines, Amino Acids, and Model Peptides","Journal of the American Chemical Society","1999","121","","1658","1664","10.1021/ja9827604","","","0.7093","MolybdenumKα","","0.042","0.042","","0.069","0.069","","","","","2.12","2.12","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116328","6.8627","0.0008","9.354","0.002","14.486","0.004","84.51","0.03","77.44","0.02","86.25","0.03","902.5","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","THP(gly)3","","","- C9 H23 Cl3 N3 O7 P -","- C9 H23 Cl3 N3 O7 P -","- C18 H46 Cl6 N6 O14 P2 -","2","1","","Douglas E. Berning; Kattesh V. Katti; Charles L. Barnes; Wynn A. Volkert","Chemical and Biomedical Motifs of the Reactions of Hydroxymethylphosphines with Amines, Amino Acids, and Model Peptides","Journal of the American Chemical Society","1999","121","","1658","1664","10.1021/ja9827604","","","1.54056","CopperKα","","0.039","0.039","","0.073","0.073","","","","","2.85","2.85","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116329","21.199","0.004","8.1123","0.0007","20.854","0.003","90","","105.51","0.03","90","","3455.7","1","293","","293","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","HMPB-N-methylaniline","","","- C38 H44 N4 P2 -","- C38 H44 N4 P2 -","- C152 H176 N16 P8 -","4","1","","Douglas E. Berning; Kattesh V. Katti; Charles L. Barnes; Wynn A. Volkert","Chemical and Biomedical Motifs of the Reactions of Hydroxymethylphosphines with Amines, Amino Acids, and Model Peptides","Journal of the American Chemical Society","1999","121","","1658","1664","10.1021/ja9827604","","","1.54056","CopperKα","","0.047","0.047","","0.073","0.073","","","","","2.43","2.43","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116330","13.573","0.001","13.279","0.001","10.653","0.001","90","","108.816","0.001","90","","1817.4","0.3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","HMPB(gly)2","","","- C14 H19 Cl N2 O4 P2 -","- C14 H19 Cl N2 O4 P2 -","- C56 H76 Cl4 N8 O16 P8 -","4","0.5","","Douglas E. Berning; Kattesh V. Katti; Charles L. Barnes; Wynn A. Volkert","Chemical and Biomedical Motifs of the Reactions of Hydroxymethylphosphines with Amines, Amino Acids, and Model Peptides","Journal of the American Chemical Society","1999","121","","1658","1664","10.1021/ja9827604","","","0.7093","MolybdenumKα","","0.031","0.031","","0.055","0.055","","","","","1.64","1.64","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116331","7.175","0.004","25.233","0.008","8.394","0.004","90","","90.6","0.02","90","","1519.6","1.2","294","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Cl O2 -","- C9 H7 Cl O2 -","- C72 H56 Cl8 O16 -","8","2","","Srinivasan S. Kuduva; Donald C. Craig; Ashwini Nangia; Gautam R. Desiraju","Cubanecarboxylic Acids. Crystal Engineering Considerations and the Role of C-H...O Hydrogen Bonds in Determining O-H...O Networks","Journal of the American Chemical Society","1999","121","","1936","1944","10.1021/ja981967u","","","0.71073","MoKα","","","0.045","","","","0.057","","","","","","1.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116332","8.306","0.003","7.261","0.002","14.269","0.006","90","","113.13","0.02","90","","791.4","0.5","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Br O2 -","- C9 H8 Br O2 -","- C36 H32 Br4 O8 -","4","1","","Srinivasan S. Kuduva; Donald C. Craig; Ashwini Nangia; Gautam R. Desiraju","Cubanecarboxylic Acids. Crystal Engineering Considerations and the Role of C-H...O Hydrogen Bonds in Determining O-H...O Networks","Journal of the American Chemical Society","1999","121","","1936","1944","10.1021/ja981967u","","","0.71073","MoKα","","","0.032","","","","0.043","","","","","","1.58","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116333","8.304","0.004","7.341","0.002","14.701","0.007","90","","113.11","0.02","90","","824.3","0.6","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 I O2 -","- C9 H8 I O2 -","- C36 H32 I4 O8 -","4","1","","Srinivasan S. Kuduva; Donald C. Craig; Ashwini Nangia; Gautam R. Desiraju","Cubanecarboxylic Acids. Crystal Engineering Considerations and the Role of C-H...O Hydrogen Bonds in Determining O-H...O Networks","Journal of the American Chemical Society","1999","121","","1936","1944","10.1021/ja981967u","","","0.71073","MoKα","","","0.023","","","","0.038","","","","","","1.35","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116334","7.26","0.001","30.507","0.003","8.252","0.002","90","","90.724","0.009","90","","1827.5","0.5","294","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C88 H80 O32 -","8","2","","Srinivasan S. Kuduva; Donald C. Craig; Ashwini Nangia; Gautam R. Desiraju","Cubanecarboxylic Acids. Crystal Engineering Considerations and the Role of C-H...O Hydrogen Bonds in Determining O-H...O Networks","Journal of the American Chemical Society","1999","121","","1936","1944","10.1021/ja981967u","","","1.5418","CuKα","","","0.047","","","","","","","","","","2.22","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116335","8.599","0.002","11.131","0.002","14.588","0.004","90","","94.68","0.01","90","","1391.6","0.6","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 O2 -","- C9 H9 O2 -","- C72 H72 O16 -","8","2","","Srinivasan S. Kuduva; Donald C. Craig; Ashwini Nangia; Gautam R. Desiraju","Cubanecarboxylic Acids. Crystal Engineering Considerations and the Role of C-H...O Hydrogen Bonds in Determining O-H...O Networks","Journal of the American Chemical Society","1999","121","","1936","1944","10.1021/ja981967u","","","1.54184","CuKα","","","0.039","","","","0.054","","","","","","1.73","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116336","8.998","0.002","13.605","0.002","11.056","0.002","90","","123.448","0.009","90","","1129.3","0.4","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","1","","Srinivasan S. Kuduva; Donald C. Craig; Ashwini Nangia; Gautam R. Desiraju","Cubanecarboxylic Acids. Crystal Engineering Considerations and the Role of C-H...O Hydrogen Bonds in Determining O-H...O Networks","Journal of the American Chemical Society","1999","121","","1936","1944","10.1021/ja981967u","","","1.54184","CuKα","","","0.048","","","","0.066","","","","","","2.27","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116337","9.944","0.001","7.127","0.001","12.723","0.002","90","","90","","90","","901.7","0.2","294","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C40 H36 N4 O12 -","4","1","","Srinivasan S. Kuduva; Donald C. Craig; Ashwini Nangia; Gautam R. Desiraju","Cubanecarboxylic Acids. Crystal Engineering Considerations and the Role of C-H...O Hydrogen Bonds in Determining O-H...O Networks","Journal of the American Chemical Society","1999","121","","1936","1944","10.1021/ja981967u","","","1.54184","CuKα","","","0.039","","","","0.064","","","","","","2.75","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116338","14.183","0.004","16.477","0.004","6.387","0.004","90","","90","","90","","1492.6","1.1","291.2","","291.2","","","","","","","","prepared by T. Mitsudo","3","P n m a","-P 2ac 2n","62","tetrabromopentacyclotetradecane","","","- C14 H16 Br4 -","- C14 H16 Br4 -","- C56 H64 Br16 -","4","0.5","","Take-aki Mitsudo; Toshiaki Suzuki; Shi-Wei Zhang; Daisuke Imai; Ken-ichi Fujita; Takao Manabe; Masashi Shiotsuki; Yoshihisa Watanabe; Kenji Wada; Teruyuki Kondo","Novel Ruthenium Complex-Catalyzed Dimerization of 2,5-Norbornadiene to Pentacyclo[6.6.0.0^2,6^.0^3,13^.0^10,14^]tetradeca-4,11-diene Involving Carbon-Carbon Bond Cleavage","Journal of the American Chemical Society","1999","121","9","1839","1850","10.1021/ja9835741","","","0.7107","MoKα","","0","0","","","0","0.034","","","","","","1.88","","","","has coordinates","134518","2020-10-21","18:00:00",""
"4116339","19.708","0.004","7.742","0.004","9.858","0.004","90","","90","","90","","1504.1","1","296.2","","296.2","","","","","","","","prepared by T. Mitsudo et al.","6","P c a 21","P 2c -2ac","29","[AgOTf(PCTD)]n","","","- C15 H16 Ag F3 O3 S -","- C15 H16 Ag F3 O3 S -","- C60 H64 Ag4 F12 O12 S4 -","4","1","","Take-aki Mitsudo; Toshiaki Suzuki; Shi-Wei Zhang; Daisuke Imai; Ken-ichi Fujita; Takao Manabe; Masashi Shiotsuki; Yoshihisa Watanabe; Kenji Wada; Teruyuki Kondo","Novel Ruthenium Complex-Catalyzed Dimerization of 2,5-Norbornadiene to Pentacyclo[6.6.0.0^2,6^.0^3,13^.0^10,14^]tetradeca-4,11-diene Involving Carbon-Carbon Bond Cleavage","Journal of the American Chemical Society","1999","121","9","1839","1850","10.1021/ja9835741","","","0.7107","MoKα","","0.0288","0.0288","","","0.0302","0.0302","","","","","","1.277","","","","has coordinates","134518","2020-10-21","18:00:00",""
"4116340","7.816","0.005","25.19","0.005","11.05","0.006","90","","109.01","0.04","90","","2056.9","1.8","296.2","","296.2","","","","","","","","prepared by T. Mitsudo","4","P 1 21/c 1","-P 2ybc","14","Ru(cot)(dmfm)2","","","- C20 H26 O8 Ru -","- C20 H26 O8 Ru -","- C80 H104 O32 Ru4 -","4","1","","Take-aki Mitsudo; Toshiaki Suzuki; Shi-Wei Zhang; Daisuke Imai; Ken-ichi Fujita; Takao Manabe; Masashi Shiotsuki; Yoshihisa Watanabe; Kenji Wada; Teruyuki Kondo","Novel Ruthenium Complex-Catalyzed Dimerization of 2,5-Norbornadiene to Pentacyclo[6.6.0.02,6.03,13.010,14]tetradeca-4,11-diene Involving Carbon-Carbon Bond Cleavage","Journal of the American Chemical Society","1999","121","9","1839","1850","10.1021/ja9835741","","","0.7107","MoKα","","0","0","","","0","0.0413","","","","","","0.658","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4116341","12.0455","0.0012","7.271","0.0012","16.0707","0.0015","90","","90","","90","","1407.5","0.3","298","1","298","1","","","","","","","","5","F m m m","-F 2 2","69","","","","- C6 H16 N10 Ni O6 -","- C6 H16 N10 Ni O6 -","- C24 H64 N40 Ni4 O24 -","4","0.125","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.0549","0.0398","","","0.101","0.1057","","","","","","1.076","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116342","12.014","0.002","7.219","0.002","15.805","0.002","90","","90","","90","","1370.8","0.5","150","1","150","1","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H16 N10 Ni O6 -","- C6 H16 N10 Ni O6 -","- C24 H64 N40 Ni4 O24 -","4","0.25","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.0542","0.0371","","0.0994","0.0917","","","","1.096","1.117","1.117","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116343","11.998","0.004","7.203","0.006","15.736","0.005","90","","90","","90","","1359.9","1.3","100","1","100","1","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H16 N10 Ni O6 -","- C6 H16 N10 Ni O6 -","- C24 H64 N40 Ni4 O24 -","4","0.25","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.0522","0.0393","","0.0966","0.0912","","","","1.069","1.124","1.124","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116344","12.0551","0.0006","7.2825","0.0006","16.0779","0.0007","90","","90","","90","","1411.5","0.15","298","1","298","1","","","","","","","","5","F m m m","-F 2 2","69","","","","- C6 H16 N10 Ni O6 -","- C6 H16 N10 Ni O6 -","- C24 H64 N40 Ni4 O24 -","4","0.125","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.0593","0.0382","","0.1032","0.0914","","","","1.087","1.116","1.116","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116345","12.015","0.002","7.226","0.002","15.766","0.003","90","","90","","90","","1368.8","0.5","139","1","139","1","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H16 N10 Ni O6 -","- C6 H16 N10 Ni O6 -","- C24 H64 N40 Ni4 O24 -","4","0.25","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.051","0.0334","","","0.0822","0.0859","","","","","","0.997","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116346","12.0551","0.0012","7.2846","0.0012","16.0766","0.0014","90","","90","","90","","1411.8","0.3","298","1","293","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C6 H16 N10 Ni O6 -","- C6 H16 N10 Ni O6 -","- C24 H64 N40 Ni4 O24 -","4","0.125","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.0435","0.0301","","","0.0773","0.0827","","","","","","1.075","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116347","12.0338","0.0011","7.2535","0.001","15.9377","0.0013","90","","90","","90","","1391.2","0.3","223","1","223","1","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H16 N10 Ni O6 -","- C6 H16 N10 Ni O6 -","- C24 H64 N40 Ni4 O24 -","4","0.25","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.0416","0.0313","","","0.0858","0.0895","","","","","","1.12","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116348","12.006","0.002","7.215","0.002","15.809","0.003","90","","90","","90","","1369.4","0.5","148","2","148","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H16 N10 Ni O6 -","- C12 H32 N20 Ni2 O12 -","- C24 H64 N40 Ni4 O24 -","2","0.125","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.0784","0.0434","","","0.0952","0.102","","","","","","1.033","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116349","12.0323","0.0015","7.2266","0.0012","15.661","0.006","90","","90","","90","","1361.8","0.6","13","3","13","3","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H16 N10 Ni O6 -","- C5 H14 N7 Ni0.25 O5 -","- C20 H56 N28 Ni O20 -","4","0.25","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","neutron","","neutron","","","0.069","","","0.045","","","","","","","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116350","21.119","0.003","12.021","0.004","12.901","0.003","90","","94","","90","1","3267.2","1.4","296.2","","296.2","","","","","","","","","4","C 1 c 1","C -2yc","9","N-Fused","","","- C44 H27 Br N4 -","- C44 H27 Br N4 -","- C176 H108 Br4 N16 -","4","1","","Hiroyuki Furuta; Tomoya Ishizuka; Atsuhiro Osuka; Takuji Ogawa","""N-Fused Porphyrin"" from N-Confused Porphyrin","Journal of the American Chemical Society","1999","121","","2945","2946","10.1021/ja9902672","","","0.7107","MoKα","","0.0652","0.065","","0.04","0","0.04","","","1.689","","","1.69","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116351","31.019","0.012","7.1857","0.0012","8.103","0.003","90","","96.038","0.017","90","","1796.1","1","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C14 H24 K2 Mn3 Mo2 N14 O12 -","- C14 K2 Mn3 Mo2 N14 O12 -","- C28 K4 Mn6 Mo4 N28 O24 -","2","0.5","","Joulia Larionova; Olivier Kahn; Stéphane Gohlen; Lahcène Ouahab; Rodolphe Clérac","Structure, Ferromagnetic Ordering, Anisotropy, and Spin Reorientation for the Two-Dimensional Cyano-Bridged Bimetallic Compound K2Mn3(H2O)6[Mo(CN)7]2.6H2O","Journal of the American Chemical Society","1999","121","","3349","3356","10.1021/ja9832717","","","0.71073","MoKα","","0.1489","0.0573","","","0.1218","0.1419","","","","","","1.116","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116352","14.756","0.0004","14.756","0.0004","14.756","0.0004","90","","90","","90","","3212.96","0.15","293","2","293","2","","","","","","","pure_elements","3","F d -3 m :2","-F 4vw 2vw 3","227","clathrate_II_type","","","- Cs Na2 Si17 -","- Cs Na2 Si17 -","- Cs8 Na16 Si136 -","8","0.0416667","","Svilen Bobev; Slavi C. Sevov","Synthesis and Characterization of Stable Stoichiometric Clathrates of Silicon and Germanium: Cs8Na16Si136 and Cs8Na16Ge136","Journal of the American Chemical Society","1999","121","","3795","3796","10.1021/ja9844175","","","0.71073","MoKα","","0.0231","0.0201","","0.0462","0.0453","","","","1.203","1.235","1.235","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116353","15.4805","0.0006","15.4805","0.0006","15.4805","0.0006","90","","90","","90","","3709.8","0.2","293","2","293","2","","","","","","","pure_elements","3","F d -3 m :2","-F 4vw 2vw 3","227","clathrate_II_type","","","- Cs Ge17 Na2 -","- Cs Ge17 Na2 -","- Cs8 Ge136 Na16 -","8","0.0416667","","Svilen Bobev; Slavi C. Sevov","Synthesis and Characterization of Stable Stoichiometric Clathrates of Silicon and Germanium: Cs8Na16Si136 and Cs8Na16Ge136","Journal of the American Chemical Society","1999","121","","3795","3796","10.1021/ja9844175","","","0.71073","MoKα","","0.0924","0.0431","","0.0981","0.083","","","","1.033","1.113","1.113","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116354","14.738","0.002","14.738","0.002","14.738","0.002","90","","90","","90","","3201.2","0.8","293","2","293","2","","","","","","","pure_elements","3","F d -3 m :2","-F 4vw 2vw 3","227","clathrate_II_type","","","- Cs Na2 Si17 -","- Cs Na2 Si17 -","- Cs8 Na16 Si136 -","8","0.0416667","","Svilen Bobev; Slavi C. Sevov","Synthesis and Characterization of Stable Stoichiometric Clathrates of Silicon and Germanium: Cs8Na16Si136 and Cs8Na16Ge136","Journal of the American Chemical Society","1999","121","","3795","3796","10.1021/ja9844175","","","0.71073","MoKα","","0.031","0.0207","","0.0501","0.0455","","","","1.142","1.152","1.152","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116355","14.726","0.001","14.726","0.001","14.726","0.001","90","","90","","90","","3193.4","0.4","293","2","293","2","","","","","","","pure_elements","3","F d -3 m :2","-F 4vw 2vw 3","227","clathrate_II_type","","","- Cs Na2 Si17 -","- Cs Na2 Si17 -","- Cs8 Na16 Si136 -","8","0.0416667","","Svilen Bobev; Slavi C. Sevov","Synthesis and Characterization of Stable Stoichiometric Clathrates of Silicon and Germanium: Cs8Na16Si136 and Cs8Na16Ge136","Journal of the American Chemical Society","1999","121","","3795","3796","10.1021/ja9844175","","","0.71073","MoKα","","0.0297","0.0221","","0.0447","0.0422","","","","1.103","1.123","1.123","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116356","14.701","0.002","14.701","0.002","14.701","0.002","90","","90","","90","","3177.2","0.7","293","2","293","2","","","","","","","pure_elements","3","F d -3 m :2","-F 4vw 2vw 3","227","clathrate_II_type","","","- Cs Na2 Si17 -","- Cs Na2 Si17 -","- Cs8 Na16 Si136 -","8","0.0416667","","Svilen Bobev; Slavi C. Sevov","Synthesis and Characterization of Stable Stoichiometric Clathrates of Silicon and Germanium: Cs8Na16Si136 and Cs8Na16Ge136","Journal of the American Chemical Society","1999","121","","3795","3796","10.1021/ja9844175","","","0.71073","MoKα","","0.0182","0.0159","","0.0457","0.045","","","","1.122","1.111","1.111","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116357","8.03","0.01","8.162","0.006","11.375","0.008","90.02","0.07","91.78","0.08","89.98","0.1","745.2","1.2","243.2","","243.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 O2 Sn -","- C8 H24 O4 Sn2 -","- C32 H96 O16 Sn8 -","4","1","","Jun-Chul Choi; Toshiyasu Sakakura; Takeshi Sako","Reaction of Dialkyltin Methoxide with Carbon Dioxide Relevant to the Mechanism of Catalytic Carbonate Synthesis","Journal of the American Chemical Society","1999","121","","3793","3794","10.1021/ja9900499","","","0.7107","MoKα","","0.0512","0.0512","","","0.079","0.079","","","","","","1.86","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116358","8.16","0.003","8.724","0.002","6.641","0.002","92.77","0.02","110.46","0.03","93.01","0.02","441.2","0.2","243.2","","243.2","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H12 O4 Sn -","- C10 H24 O8 Sn2 -","- C20 H48 O16 Sn4 -","2","1","","Jun-Chul Choi; Toshiyasu Sakakura; Takeshi Sako","Reaction of Dialkyltin Methoxide with Carbon Dioxide Relevant to the Mechanism of Catalytic Carbonate Synthesis","Journal of the American Chemical Society","1999","121","","3793","3794","10.1021/ja9900499","","","0.7107","MoKα","","0.0512","0.0512","","","0.0447","0.0447","","","","","","1.655","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116359","21.3252","0.0012","9.4245","0.0003","20.5573","0.0012","90","","99.542","0.005","90","","4074.4","0.4","150","0.1","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H56 N2 O6 -","- C46 H56 N2 O6 -","- C184 H224 N8 O24 -","4","0.5","","Wen-wei Huang; Huda Henry-Riyad; Thomas T. Tidwell","Reactions of the ""Stable"" Nitroxyl Radical TEMPO with Ketenes: Formation of a Unique Peroxidic Source of Aminyl Radicals","Journal of the American Chemical Society","1999","121","","3939","3943","10.1021/ja982944i","","","0.71073","MoKα","","0.1093","0.0558","","","0.1328","0.1485","","","","","","1.035","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116360","9.3238","0.0004","11.4506","0.0004","34.2187","0.0013","90","","90","","90","","3653.3","0.2","150","0.1","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H24 O2 Si2 -","- C17 H24 O2 Si2 -","- C136 H192 O16 Si16 -","8","1","","Wen-wei Huang; Huda Henry-Riyad; Thomas T. Tidwell","Reactions of the ""Stable"" Nitroxyl Radical TEMPO with Ketenes: Formation of a Unique Peroxidic Source of Aminyl Radicals","Journal of the American Chemical Society","1999","121","","3939","3943","10.1021/ja982944i","","","0.71073","MoKα","","0.0669","0.0434","","","0.1078","0.117","","","","","","1.045","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116361","11.872","0.002","13.192","0.003","14.305","0.003","84.19","0.03","69.72","0.03","69.85","0.03","1972.5","0.9","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","Fe(OEP)(1-MeIm)(CO)","","- C44 H57 Fe N6 O -","- C44 H57 Fe N6 O -","- C88 H114 Fe2 N12 O2 -","2","1","","Renzo Salzmann; Michael T. McMahon; Nathalie Godbout; Lori K. Sanders; Mark Wojdelski; Eric Oldfield","Solid-State NMR, Crystallographic and Density Functional Theory Investigation of Fe-CO and Fe-CO Analogue Metalloporphyrins and Metalloproteins","Journal of the American Chemical Society","1999","121","","3818","3828","10.1021/ja9832818","","","0.71073","MoKα","","0.1227","0.0594","","0.1673","0.1283","","","","1.025","1.152","1.152","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116362","10.4568","0.0002","12.9806","0.0001","15.9683","0.0002","80.695","0.001","76.982","0.001","72.018","0.001","1998.65","0.05","293","2","198","2","","","","","","","","6","P -1","-P 1","2","","Ru(OEP)(CO)(1-MeIm)","","- C42 H52 Cl2 N6 O Ru -","- C42 H50.86 Cl2 N6 O Ru -","- C84 H101.72 Cl4 N12 O2 Ru2 -","2","1","","Renzo Salzmann; Michael T. McMahon; Nathalie Godbout; Lori K. Sanders; Mark Wojdelski; Eric Oldfield","Solid-State NMR, Crystallographic and Density Functional Theory Investigation of Fe-CO and Fe-CO Analogue Metalloporphyrins and Metalloproteins","Journal of the American Chemical Society","1999","121","","3818","3828","10.1021/ja9832818","","","0.71073","MoKα","","0.0837","0.0593","","0.1433","0.1216","","","","1.142","1.096","1.096","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116363","10.3677","0.0003","12.9871","0.0004","15.9564","0.0005","80.635","0.001","76.731","0.001","72.219","0.001","1981.25","0.11","293","2","198","2","","","","","","","","6","P -1","-P 1","2","","Os(OEP)(CO)(1-MeIm)","","- C42 H52 Cl2 N6 O Os -","- C42 H52 Cl2 N6 O Os -","- C84 H104 Cl4 N12 O2 Os2 -","2","1","","Renzo Salzmann; Michael T. McMahon; Nathalie Godbout; Lori K. Sanders; Mark Wojdelski; Eric Oldfield","Solid-State NMR, Crystallographic and Density Functional Theory Investigation of Fe-CO and Fe-CO Analogue Metalloporphyrins and Metalloproteins","Journal of the American Chemical Society","1999","121","","3818","3828","10.1021/ja9832818","","","0.71073","MoKα","","0.1","0.0653","","0.1449","0.1228","","","","1.147","1.122","1.122","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116364","10.9981","0.0007","13.2076","0.0008","17.165","0.0011","73.86","","78.05","0.001","79.564","0.001","2322.8","0.3","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","Fe(TPP)(iPrNC)(1-MeIm)","","- C54.5 H47 Fe N7 -","- C54.5 H47 Fe N7 -","- C109 H94 Fe2 N14 -","2","1","","Renzo Salzmann; Michael T. McMahon; Nathalie Godbout; Lori K. Sanders; Mark Wojdelski; Eric Oldfield","Solid-State NMR, Crystallographic and Density Functional Theory Investigation of Fe-CO and Fe-CO Analogue Metalloporphyrins and Metalloproteins","Journal of the American Chemical Society","1999","121","","3818","3828","10.1021/ja9832818","","","0.71073","MoKα","","0.1137","0.0663","","0.1988","0.1596","","","","1.078","1.149","1.149","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116365","11.904","0.0011","13.2592","0.0012","16.4523","0.0015","87.525","0.002","70.489","0.002","70.556","0.002","2301.3","0.4","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","Fe-TPP-PhNO-py","","- C58.5 H42 Fe N6 O -","- C58.5 H42 Fe N6 O -","- C117 H84 Fe2 N12 O2 -","2","1","","Nathalie Godbout; Lori K. Sanders; Renzo Salzmann; Robert H. Havlin; Mark Wojdelski; Eric Oldfield","Solid-State NMR, Mössbauer, Crystallographic, and Density Functional Theory Investigation of Fe-O2 and Fe-O2 Analogue Metalloporphyrins and Metalloproteins","Journal of the American Chemical Society","1999","121","","3829","3844","10.1021/ja9832820","","","0.71073","MoKα","","0.1873","0.063","","0.1009","0.0801","","","","0.939","1.217","1.217","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116366","38.823","0.002","12.3148","0.0008","21.4172","0.0013","90","","90","","90","","10239.5","1.1","198","2","198","2","","","","","","","","5","I b a 2","I 2 -2c","45","","Fe(TPP)(NODMA)(py)","","- C64 H51 Fe N7 O -","- C64 H51 Fe N7 O -","- C512 H408 Fe8 N56 O8 -","8","1","","Nathalie Godbout; Lori K. Sanders; Renzo Salzmann; Robert H. Havlin; Mark Wojdelski; Eric Oldfield","Solid-State NMR, Mössbauer, Crystallographic, and Density Functional Theory Investigation of Fe-O2 and Fe-O2 Analogue Metalloporphyrins and Metalloproteins","Journal of the American Chemical Society","1999","121","","3829","3844","10.1021/ja9832820","","","0.71073","MoKα","","0.1429","0.0624","","0.1458","0.127","","","","1.043","1.3","1.3","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116367","10.779","0.002","17.829","0.003","22.728","0.004","103.22","0.004","93.811","0.004","97.839","0.004","4190.7","1.3","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","TPP-Fe-MeIm-PhNO","","- C54 H39 Fe N7 O -","- C53.997 H38.9975 Fe N6.9995 O0.9995 -","- C215.988 H155.99 Fe4 N27.998 O3.998 -","4","2","","Nathalie Godbout; Lori K. Sanders; Renzo Salzmann; Robert H. Havlin; Mark Wojdelski; Eric Oldfield","Solid-State NMR, Mössbauer, Crystallographic, and Density Functional Theory Investigation of Fe-O2 and Fe-O2 Analogue Metalloporphyrins and Metalloproteins","Journal of the American Chemical Society","1999","121","","3829","3844","10.1021/ja9832820","","","0.71073","MoKα","","0.2395","0.0957","","0.2095","0.1728","","","","1.178","1.738","1.738","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116368","13.6795","0.0001","13.929","0.0003","23.132","0.0006","72.413","0.001","73.548","0.001","84.64","0.002","4029.42","0.14","293","2","198","2","","","","","","","","5","P -1","-P 1","2","","Fe(OEP)(PhNO)(1-MeIm)","","- C46 H55 Fe N7 O -","- C46 H55 Fe N7 O -","- C184 H220 Fe4 N28 O4 -","4","2","","Nathalie Godbout; Lori K. Sanders; Renzo Salzmann; Robert H. Havlin; Mark Wojdelski; Eric Oldfield","Solid-State NMR, Mössbauer, Crystallographic, and Density Functional Theory Investigation of Fe-O2 and Fe-O2 Analogue Metalloporphyrins and Metalloproteins","Journal of the American Chemical Society","1999","121","","3829","3844","10.1021/ja9832820","","","0.71073","MoKα","","0.1316","0.0591","","0.1726","0.135","","","","0.936","1.094","1.094","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116369","10.4844","0.0006","10.6084","0.0007","14.0904","0.0009","79.758","0.001","89.398","0.001","80.254","0.001","1519.63","0.16","293","2","198","2","","","","","","","","5","P -1","-P 1","2","","Co(OEP)(NO)","","- C36 H44 Co N5 O -","- C36 H44 Co N5 O -","- C72 H88 Co2 N10 O2 -","2","1","","Nathalie Godbout; Lori K. Sanders; Renzo Salzmann; Robert H. Havlin; Mark Wojdelski; Eric Oldfield","Solid-State NMR, Mössbauer, Crystallographic, and Density Functional Theory Investigation of Fe-O2 and Fe-O2 Analogue Metalloporphyrins and Metalloproteins","Journal of the American Chemical Society","1999","121","","3829","3844","10.1021/ja9832820","","","0.71073","MoKα","","0.0577","0.0394","","0.0915","0.082","","","","1.033","1.072","1.072","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116370","16.24","0.004","6.2157","0.0012","10.289","0.002","90","","99.23","0.02","90","","1025.2","0.4","223","2","223","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","Bicubyl","Cubylcubane","","- C16 H14 -","- C16 H14 -","- C64 H56 -","4","0.5","","Eaton, Philip E.; Pramod, Kakumanu; Emrick, Todd; Gilardi, Richard","Building with Cubane-1,4-diyl. Synthesis of Aryl-Substituted Cubanes, p-[n]Cubyls, and Cubane-Separated Bis(arenes)1","Journal of the American Chemical Society","1999","121","17","4111","4123","10.1021/ja983441f","","","0.71073","MoKα","","0.0675","0.0447","","0.1199","0.1046","","","","1.036","1.089","1.089","","","","","has coordinates","209506","2020-10-21","18:00:00",""
"4116371","8.9775","0.0003","8.9775","0.0003","15.3644","0.001","90","","90","","120","","1072.4","0.09","294","2","294","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- C16 H12 I2 -","- C16 H12 I2 -","- C48 H36 I6 -","3","0.0833333","","Eaton, Philip E.; Pramod, Kakumanu; Emrick, Todd; Gilardi, Richard","Building with Cubane-1,4-diyl. Synthesis of Aryl-Substituted Cubanes, p-[n]Cubyls, and Cubane-Separated Bis(arenes)1","Journal of the American Chemical Society","1999","121","17","4111","4123","10.1021/ja983441f","","","0.71073","MoKα","","0.0313","0.0265","","0.0655","0.0631","","","","1.166","1.215","1.215","","","","","has coordinates","209506","2020-10-21","18:00:00",""
"4116372","5.5066","0.0008","5.939","0.0015","12.165","0.002","88.964","0.015","76.982","0.014","66.04","0.02","353.01","0.13","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C22 H18 -","- C22 H18 -","- C22 H18 -","1","0.5","","Eaton, Philip E.; Pramod, Kakumanu; Emrick, Todd; Gilardi, Richard","Building with Cubane-1,4-diyl. Synthesis of Aryl-Substituted Cubanes, p-[n]Cubyls, and Cubane-Separated Bis(arenes)1","Journal of the American Chemical Society","1999","121","17","4111","4123","10.1021/ja983441f","","","1.54178","CuKα","","0.0791","0.0467","","0.1369","0.1099","","","","1.046","1.047","1.047","","","","","has coordinates","209506","2020-10-21","18:00:00",""
"4116373","9.9531","0.0009","10.4357","0.0011","14.493","0.0015","89.126","0.007","89.068","0.007","62.874","0.004","1339.5","0.2","294","2","294","2","","","","","","","","2","P -1","-P 1","2","","(p-biphenyl)cubane","","- C20 H16 -","- C20 H16 -","- C80 H64 -","4","2","","Eaton, Philip E.; Pramod, Kakumanu; Emrick, Todd; Gilardi, Richard","Building with Cubane-1,4-diyl. Synthesis of Aryl-Substituted Cubanes, p-[n]Cubyls, and Cubane-Separated Bis(arenes)1","Journal of the American Chemical Society","1999","121","17","4111","4123","10.1021/ja983441f","","","0.71073","MoKα","","0.0902","0.0477","","0.1392","0.1073","","","","1.028","1.115","1.115","","","","","has coordinates","209506","2020-10-21","18:00:00",""
"4116374","5.889","0.004","34.22","0.011","7.69","0.003","90","","107.52","0.04","90","","1477.8","1.3","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","Phenylbicubane","1-Phenyl-p-[2]cubyl","","- C22 H18 -","- C22 H18 -","- C88 H72 -","4","1","","Eaton, Philip E.; Pramod, Kakumanu; Emrick, Todd; Gilardi, Richard","Building with Cubane-1,4-diyl. Synthesis of Aryl-Substituted Cubanes, p-[n]Cubyls, and Cubane-Separated Bis(arenes)1","Journal of the American Chemical Society","1999","121","17","4111","4123","10.1021/ja983441f","","","1.54178","CuKα","","0.1432","0.0771","","0.2674","0.1913","","","","1.049","1.165","1.165","","","","","has coordinates","209506","2020-10-21","18:00:00",""
"4116375","10.258","0.002","6.067","0.0015","62.852","0.017","90","","90","","90","","3911.6","1.6","223","2","223","2","","","","","","","synthesis at U. of Chicago","2","P n a 21","P 2c -2n","33","Phenyltercubyl","","","- C30 H24 -","- C30 H24 -","- C240 H192 -","8","2","","Eaton, Philip E.; Pramod, Kakumanu; Emrick, Todd; Gilardi, Richard","Building with Cubane-1,4-diyl. Synthesis of Aryl-Substituted Cubanes, p-[n]Cubyls, and Cubane-Separated Bis(arenes)1","Journal of the American Chemical Society","1999","121","17","4111","4123","10.1021/ja983441f","","","1.54178","CuKα","","0.1793","0.09","","0.3269","0.2133","","","","1.05","1.229","1.229","","","","","has coordinates","209506","2020-10-21","18:00:00",""
"4116376","24.0738","0.0002","24.0738","0.0002","68.5828","0.0005","90","","90","","90","","39747","0.5","170","2","170","2","","","","","","","synthetic","5","I 41/a :2","-I 4ad","88","","","","- C186 H234 Ga4 N30 O42 -","- C197 H163 Ga4 N20 O32 -","- C1576 H1304 Ga32 N160 O256 -","8","0.5","","Thomas Beissel; Ryan E. Powers; Tatjana N. Parac; Kenneth N. Raymond","Dynamic Isomerization of a Supramolecular Tetrahedral M4L6 Cluster1","Journal of the American Chemical Society","1999","121","","4200","4206","10.1021/ja984046s","","","0.71073","MoKα","","0.1234","0.0888","","0.2523","0.2205","","","","1.033","1.085","1.085","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116377","7.564","0.002","30.261","0.009","6.268","0.003","90","0","90","0","90","0","1434.7","0.9","298","","","","","","","","","","Local laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","1","","Naoki Yoshikawa; Yoichi M. A. Yamada; Jagattaran Das; Hiroaki Sasai; Masakatsu Shibasaki","Direct Catalytic Asymmetric Aldol Reaction","Journal of the American Chemical Society","1999","121","","4168","4178","10.1021/ja990031y","","","0.7107","MoKα","","","0.066","","","0.067","","","","","5.227","5.227","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116378","15.489","0.007","11.983","0.007","18.102","0.013","90","","91.23","0.05","90","","3359","3","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H36 Cu F6 N4 P -","- C34 H36 Cu F6 N4 P -","- C136 H144 Cu4 F24 N16 P4 -","4","2","","Mark T. Miller; Peter K. Gantzel; Timothy B. Karpishin","A Highly Emissive Heteroleptic Copper(I) Bis(phenanthroline) Complex: [Cu(dbp)(dmp)]+ (dbp = 2,9-Di-tert-butyl-1,10-phenanthroline; dmp = 2,9-Dimethyl-1,10-phenanthroline)","Journal of the American Chemical Society","1999","121","","4292","4293","10.1021/ja9901415","","","0.71073","MoKα","","0.0877","0.0648","","0.1901","0.1662","","","","1.044","1.042","1.042","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116379","14.395","0.003","14.974","0.003","32.363","0.007","84.75","0.03","77.78","0.03","85.59","0.03","6777","3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","[( 3-(Bis(diphenylmethylphosphine)palldium)-tetrabismuth][Dibromo- diphenyl bismuth]","","- C128 H124 Bi6 Br4 P8 Pd4 -","- C128 H124 Bi6 Br4 P8 Pd4 -","- C256 H248 Bi12 Br8 P16 Pd8 -","2","1","","Joseph L. Stark; Brian Harms; Ilse Guzman-Jimenez; Kenton H. Whitmire; Régis Gautier; Jean-François Halet; Jean-Yves Saillard","Different Ways To Distort a Tetracapped Tetrahedron on Route to Forming an E4M4 Cubane: The Case of [E4(Pd(PPh2Me)2)4][Ph2EX2]2 (E = Sb, X = Cl; E = Bi, X = Br)","Journal of the American Chemical Society","1999","121","","4409","4418","10.1021/ja982902u","","","0.71073","MoKa","","0.1249","0.055","","0.1658","0.1358","","","","1.039","1.121","1.121","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116380","14.176","0.003","14.77","0.003","32.465","0.007","85.08","0.03","77.96","0.03","85.23","0.03","6609","3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","[tetrakis[u3-(bis(diphenylmethylphposphine)palladium)] tetraantimony] bis[diphenyldidichloroantimony]","","- C130 H128 Cl4 O0.5 P8 Pd4 Sb6 -","- C130 H128 Cl4 O0.5 P8 Pd4 Sb6 -","- C260 H256 Cl8 O P16 Pd8 Sb12 -","2","1","","Joseph L. Stark; Brian Harms; Ilse Guzman-Jimenez; Kenton H. Whitmire; Régis Gautier; Jean-François Halet; Jean-Yves Saillard","Different Ways To Distort a Tetracapped Tetrahedron on Route to Forming an E4M4 Cubane: The Case of [E4(Pd(PPh2Me)2)4][Ph2EX2]2 (E = Sb, X = Cl; E = Bi, X = Br)","Journal of the American Chemical Society","1999","121","","4409","4418","10.1021/ja982902u","","","0.71073","MoKα","","0.0502","0.0386","","0.1334","0.1206","","","","1.108","1.133","1.133","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116381","5.399","0.002","6.347","0.003","11.518","0.006","75.73","0.05","80.48","0.04","81.94","0.03","375.2","0.3","120","","293","2","","","","","","","","4","P -1","-P 1","2","","μ-Dioxodichloroniumhexafluoroantimonate","","- Cl2 F6 O2 Sb -","- Cl2 F6 O2 Sb -","- Cl4 F12 O4 Sb2 -","2","1","","Thomas Drews; Wolfram Koch; Konrad Seppelt","The Cl2O2+ Cation: Preparation and Structural Investigation of Cl2O2+SbF6- and Cl2O2+Sb2F11-","Journal of the American Chemical Society","1999","121","","4379","4384","10.1021/ja984474y","","","0.71069","MoKα","","0.0841","0.0507","","","0.0837","0.0936","","","","","","1.053","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116382","9.284","0.002","10.625","0.002","11.333","0.002","90","","90.04","0.01","90","","1117.9","0.4","120","","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","μ-Dioxodichloroniumenneafluorodiantimonate","","- Cl2 F11 O2 Sb2 -","- Cl2 F11 O2 Sb2 -","- Cl8 F44 O8 Sb8 -","4","1","","Thomas Drews; Wolfram Koch; Konrad Seppelt","The Cl2O2+ Cation: Preparation and Structural Investigation of Cl2O2+SbF6- and Cl2O2+Sb2F11-","Journal of the American Chemical Society","1999","121","","4379","4384","10.1021/ja984474y","","","0.71069","MoKα","","0.0259","0.0241","","","0.0636","0.0644","","","","","","1.186","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116383","10.553","0.002","11.361","0.003","12.081","0.003","90","","90","","90","","1448.4","0.6","130","","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","Trichloroniumhexafluoroantimonate","","- Cl3 F6 Sb -","- Cl3 F6 Sb -","- Cl24 F48 Sb8 -","8","","","Thomas Drews; Wolfram Koch; Konrad Seppelt","The Cl2O2+ Cation: Preparation and Structural Investigation of Cl2O2+SbF6- and Cl2O2+Sb2F11-","Journal of the American Chemical Society","1999","121","","4379","4384","10.1021/ja984474y","","","0.71069","MoKα","","0.022","0.0189","","","0.0461","0.0489","","","","","","1.013","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116384","7.653","0.001","12.623","0.002","12.207","0.001","90","","104.2","0.01","90","","1143.2","0.3","130","","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Trichloroniumenneafluorodiantimonate","","- Cl3 F11 Sb2 -","- Cl3 F11 Sb2 -","- Cl12 F44 Sb8 -","4","1","","Thomas Drews; Wolfram Koch; Konrad Seppelt","The Cl2O2+ Cation: Preparation and Structural Investigation of Cl2O2+SbF6- and Cl2O2+Sb2F11-","Journal of the American Chemical Society","1999","121","","4379","4384","10.1021/ja984474y","","","0.71069","MoKα","","0.037","0.0291","","","0.0752","0.0801","","","","","","1.088","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116385","11.213","0.002","11.898","0.001","11.308","0.002","90","","90.45","0.01","90","","1508.6","0.4","130","","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Trichloroniumhexadecafluorotriantimonate","","- Cl1.5 F8 Sb1.5 -","- Cl1.5 F8 Sb1.5 -","- Cl12 F64 Sb12 -","8","1","","Thomas Drews; Wolfram Koch; Konrad Seppelt","The Cl2O2+ Cation: Preparation and Structural Investigation of Cl2O2+SbF6- and Cl2O2+Sb2F11-","Journal of the American Chemical Society","1999","121","","4379","4384","10.1021/ja984474y","","","0.71069","MoKα","","0.0381","0.0206","","","0.0466","0.0539","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116386","7.045","0.002","11.001","0.003","9.299","0.004","90","","94.42","0.04","90","","718.5","0.4","130","","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Trichloroniumhexafluoroarsenate","","- As Cl3 F6 -","- As Cl3 F6 -","- As4 Cl12 F24 -","4","1","","Thomas Drews; Wolfram Koch; Konrad Seppelt","The Cl2O2+ Cation: Preparation and Structural Investigation of Cl2O2+SbF6- and Cl2O2+Sb2F11-","Journal of the American Chemical Society","1999","121","","4379","4384","10.1021/ja984474y","","","0.71069","MoKα","","0.0301","0.0255","","","0.0611","0.0634","","","","","","1.118","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116387","10.7505","0.0006","11.1008","0.0007","12.4859","0.0008","90","","90","","90","","1490.06","0.16","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 Ru -","- C15 H22 N2 Ru -","- C60 H88 N8 Ru4 -","4","1","","Jayani R. Perera; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter","Ruthenium Complexes Bearing η5-Pyrazolato Ligands","Journal of the American Chemical Society","1999","121","","4536","4537","10.1021/ja990109a","","","0.71073","MoKα","","0.0436","0.03","","0.0545","0.0509","","","","0.998","1.018","1.018","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116388","19.089","0.001","18.708","0.001","23.708","0.001","90","","90.7","0.01","90","","8465.9","0.7","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C139 H142 Cl22 Mo8 N16 O32 -","- C139 H120 Cl22.0002 Mo8 N16 O32 -","- C278 H240 Cl44.0004 Mo16 N32 O64 -","2","0.5","","F. Albert Cotton; Lee M. Daniels; Chun Lin; Carlos A. Murillo","Square and Triangular Arrays Based on Mo24+ and Rh24+ Units","Journal of the American Chemical Society","1999","121","","4538","4539","10.1021/ja9901563","","","0.71073","MoKα","","0.0999","0.0754","","0.1943","0.1723","","","","1.09","","","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116389","16.951","0.003","17.07","0.01","20.935","0.008","103.84","0.02","104.85","0.04","105.92","0.03","5309","4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C180 H180 Fe4 Mo8 N16 O32 -","- C179.68 H152 Fe4 Mo8 N16 O32 -","- C179.68 H152 Fe4 Mo8 N16 O32 -","1","0.5","","F. Albert Cotton; Lee M. Daniels; Chun Lin; Carlos A. Murillo","Square and Triangular Arrays Based on Mo24+ and Rh24+ Units","Journal of the American Chemical Society","1999","121","","4538","4539","10.1021/ja9901563","","","0.71073","MoKα","","0.1225","0.0846","","0.2508","0.2056","","","","1.077","","","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116390","19.072","0.0001","19.072","0.0001","12.5658","0.0002","90","","90","","120","","3958.34","0.07","293","2","193","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","keggin","","","- Al K5 O57 W12 -","- Al K5 O57 W12 -","- Al3 K15 O171 W36 -","3","0.25","","Ira A. Weinstock; Jennifer J. Cowan; Elena M. G. Barbuzzi; Huadong Zeng; Craig L. Hill","Equilibria between α and β Isomers of Keggin Heteropolytungstates","Journal of the American Chemical Society","1999","121","","4608","4617","10.1021/ja982908j","","","0.71073","MoKα","","0.0503","0.0342","","0.0745","","0.07","","","1.016","","","1.048","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116391","7.858","0.001","13.323","0.002","9.335","0.001","90","","102.95","0.02","90","","952.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 F6 Fe N10 P -","- C10 H24 F6 Fe N10 P -","- C20 H48 F12 Fe2 N20 P2 -","2","0.5","","Karsten Meyer; Eckhard Bill; Bernd Mienert; Thomas Weyhermüller; Karl Wieghardt","Photolysis of cis- and trans-[FeIII(cyclam)(N3)2]+ Complexes: Spectroscopic Characterization of a Nitridoiron(V) Species","Journal of the American Chemical Society","1999","121","","4859","4876","10.1021/ja983454t","","","0.71073","MoKα","","0.0631","0.0333","","0.0995","0.0858","","","","1.067","1.099","1.099","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116392","13.641","0.002","8.851","0.001","15.266","0.003","90","","99.53","0.02","90","","1817.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Cl Fe N10 O4 -","- C10 H24 Cl Fe N10 O4 -","- C40 H96 Cl4 Fe4 N40 O16 -","4","1","","Karsten Meyer; Eckhard Bill; Bernd Mienert; Thomas Weyhermüller; Karl Wieghardt","Photolysis of cis- and trans-[FeIII(cyclam)(N3)2]+ Complexes: Spectroscopic Characterization of a Nitridoiron(V) Species","Journal of the American Chemical Society","1999","121","","4859","4876","10.1021/ja983454t","","","0.71073","MoKα","","0.0535","0.0396","","0.0939","0.0849","","","","1.063","1.091","1.091","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116393","15.385","0.003","8.027","0.002","12.471","0.003","90","","96.34","0.02","90","","1530.7","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H40 N2 O9 -","- C28 H40 N2 O9 -","- C56 H80 N4 O18 -","2","1","","Hoeon Kim; Lothar Esser; M. Bilayet Hossain; Di Xia; Chang-An Yu; Josep Rizo; Dick van der Helm; Johann Deisenhofer","Structure of Antimycin A1, a Specific Electron Transfer Inhibitor of Ubiquinol-Cytochrome c Oxidoreductase","Journal of the American Chemical Society","1999","121","","4902","4903","10.1021/ja990190h","","","1.54178","CuKα","","0.1211","0.0821","","0.2325","0.1983","","","","1.066","1.181","1.181","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116394","7.408","0.001","11.378","0.001","15.606","0.001","73.7","0.01","78.49","0.01","84.74","0.01","1236.3","0.2","293","2","293","2","","","","","","","selfmade","4","P -1","-P 1","2","Tris(pentafluorophenyl)alane","","","- C27 H9 Al F15 -","- C27 H9 Al F15 -","- C54 H18 Al2 F30 -","2","1","","Gregory S. Hair; Alan H. Cowley; Richard A. Jones; Brian G. McBurnett; Andreas Voigt","Arene Complexes of Al(C6F5)3. Relationship to a Déjà Vu Silylium Ion","Journal of the American Chemical Society","1999","121","","4922","4923","10.1021/ja9904336","","","0.71073","MoKα","","0.2372","0.0844","","0.2164","0.1495","","","","1.017","1.222","1.222","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116395","7.427","0.002","11.612","0.003","13.822","0.004","92.08","0.02","102.61","0.02","101.95","0.02","1133.9","0.6","293","2","293","2","","","","","","","selfmade","4","P -1","-P 1","2","Tris(pentafluorophenyl)alane","","","- C25 H8 Al F15 -","- C50 H16 Al2 F30 -","- C50 H16 Al2 F30 -","1","0.5","","Gregory S. Hair; Alan H. Cowley; Richard A. Jones; Brian G. McBurnett; Andreas Voigt","Arene Complexes of Al(C6F5)3. Relationship to a Déjà Vu Silylium Ion","Journal of the American Chemical Society","1999","121","","4922","4923","10.1021/ja9904336","","","0.71073","MoKα","","0.0453","0.0347","","0.123","0.1076","","","","1.023","1.04","1.04","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116396","7.4857","0.0003","9.9727","0.0003","17.7714","0.0006","90","","90","","90","","1326.68","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cr O3 -","- C14 H14 Cr O3 -","- C56 H56 Cr4 O12 -","4","1","","Malisa V. Troutman; Daniel H. Appella; Stephen L. Buchwald","Asymmetric Hydrogenation of Unfunctionalized Tetrasubstituted Olefins with a Cationic Zirconocene Catalyst","Journal of the American Chemical Society","1999","121","","4916","4917","10.1021/ja990535w","","","0.71073","MoKα","","0.069","0.0548","","0.1395","0.1277","","","","1.133","1.121","1.121","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116397","19.2566","0.0002","16.3846","0.0002","11.2328","0.0001","90","","98.349","0.008","90","","3506.52","0.1","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 F18 Ir N6 P3 -","- C30 H22 F18 Ir N6 P3 -","- C120 H88 F72 Ir4 N24 P12 -","4","1","","Jean-Paul Collin; Isabelle M. Dixon; Jean-Pierre Sauvage; J. A. Gareth Williams; Francesco Barigelletti; Lucia Flamigni","Synthesis and Photophysical Properties of Iridium(III) Bisterpyridine and Its Homologues: a Family of Complexes with a Long-Lived Excited State","Journal of the American Chemical Society","1999","121","","5009","5016","10.1021/ja9833669","","","0.71073","Mo-Kα","","0.044","0.034","","0.058","","0.052","","","1.24","","","1.115","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116398","18.398","0.004","6.232","0.003","19.902","0.003","90","","109.88","0.01","90","","2145.9","1.2","296.2","","296.2","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 -","- C32 H20 -","- C128 H80 -","4","1","","Munakata, Megumu; Wu, Liang Ping; Ning, Gui Ling; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Suenaga, Yusaku; Maeno, Naoto","Construction of Metal Sandwich Systems Derived from Assembly of Silver(I) Complexes with Polycyclic Aromatic Compounds","Journal of the American Chemical Society","1999","121","21","4968","4976","10.1021/ja983950h","","","0.7107","MoKα","","0.2269","0.0571","","","0.0401","0.0548","","","","","","1.147","","","","has coordinates","219221","2020-10-21","18:00:00",""
"4116399","9.837","0.005","11.874","0.006","11.658","0.002","90","","98.35","0.03","90","","1347.3","1","296.2","","296.2","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 -","- C22 H12 -","- C88 H48 -","4","1","","Munakata, Megumu; Wu, Liang Ping; Ning, Gui Ling; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Suenaga, Yusaku; Maeno, Naoto","Construction of Metal Sandwich Systems Derived from Assembly of Silver(I) Complexes with Polycyclic Aromatic Compounds","Journal of the American Chemical Society","1999","121","21","4968","4976","10.1021/ja983950h","","","0.7107","MoKα","","0.0576","0.0576","","","0.0472","0.0471","","","","","","2.31","","","","has coordinates","219221","2020-10-21","18:00:00",""
"4116400","15.789","0.002","6.188","0.004","16.816","0.002","90","","111.115","0.007","90","","1532.7","1","296.2","","296.2","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H20 Ag3 Cl3 O12 -","- C32 H20 Ag3 Cl3 O12 -","- C64 H40 Ag6 Cl6 O24 -","2","0.5","","Munakata, Megumu; Wu, Liang Ping; Ning, Gui Ling; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Suenaga, Yusaku; Maeno, Naoto","Construction of Metal Sandwich Systems Derived from Assembly of Silver(I) Complexes with Polycyclic Aromatic Compounds","Journal of the American Chemical Society","1999","121","21","4968","4976","10.1021/ja983950h","","","0.7107","MoKα","","0.0302","0.0302","","","0.0404","0.0403","","","","","","1.515","","","","has coordinates","219221","2020-10-21","18:00:00",""
"4116401","29.538","0.003","10.882","0.001","24.084","0.002","90","","110.275","0.006","90","","7261.7","1.2","296.2","","296.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C95 H56 Ag4 Cl4 O16 -","- C95 H48 Ag4 Cl4 O16 -","- C380 H192 Ag16 Cl16 O64 -","4","1","","Munakata, Megumu; Wu, Liang Ping; Ning, Gui Ling; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Suenaga, Yusaku; Maeno, Naoto","Construction of Metal Sandwich Systems Derived from Assembly of Silver(I) Complexes with Polycyclic Aromatic Compounds","Journal of the American Chemical Society","1999","121","21","4968","4976","10.1021/ja983950h","","","0.7107","MoKα","","0.0512","0.0512","","","0.0601","0.0601","","","","","","1.776","","","","has coordinates","219221","2020-10-21","18:00:00",""
"4116402","7.934","0.001","17.932","0.001","10.6046","0.0009","90","","92.097","0.009","90","","1507.7","0.2","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Ag Cl O4 -","- C16 H16 Ag Cl O4 -","- C64 H64 Ag4 Cl4 O16 -","4","1","","Munakata, Megumu; Wu, Liang Ping; Ning, Gui Ling; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Suenaga, Yusaku; Maeno, Naoto","Construction of Metal Sandwich Systems Derived from Assembly of Silver(I) Complexes with Polycyclic Aromatic Compounds","Journal of the American Chemical Society","1999","121","21","4968","4976","10.1021/ja983950h","","","0.7107","MoKα","","0.0464","0.0464","","","0.0551","0.0551","","","","","","1.569","","","","has coordinates","219221","2020-10-21","18:00:00",""
"4116403","13.29","0.004","31.599","0.005","7.774","0.003","90","","92.46","0.03","90","","3261.7","1.7","296.2","","296.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H24 Ag2 Cl2 O8 -","- C42 H18 Ag2 Cl2 O8 -","- C168 H72 Ag8 Cl8 O32 -","4","1","","Munakata, Megumu; Wu, Liang Ping; Ning, Gui Ling; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Suenaga, Yusaku; Maeno, Naoto","Construction of Metal Sandwich Systems Derived from Assembly of Silver(I) Complexes with Polycyclic Aromatic Compounds","Journal of the American Chemical Society","1999","121","21","4968","4976","10.1021/ja983950h","","","0.7107","MoKα","","0.0561","0.0561","","","0.0644","0.0644","","","","","","1.728","","","","has coordinates","219221","2020-10-21","18:00:00",""
"4116404","28.3689","0.0014","12.4003","0.0006","17.3397","0.0009","90","","96.306","0.001","90","","6062.9","0.5","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H15 F20 N5 P10 Rh2 -","- C5 H15 F20 N5 P10 Rh2 -","- C40 H120 F160 N40 P80 Rh16 -","8","1","","Alan F. Heyduk; Ann M. Macintosh; Daniel G. Nocera","Four-Electron Photochemistry of Dirhodium Fluorophosphine Compounds","Journal of the American Chemical Society","1999","121","","5023","5032","10.1021/ja9902017","","","0.71073","MoKα","","0.0649","0.043","","0.1011","0.0715","","","","1.124","1.139","1.139","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116405","9.289","0.002","13.159","0.003","16.937","0.003","82.23","0.02","76.306","0.015","84.89","0.02","1989.5","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C22.5 H24 Br2 Cl3 F12 N3 P7 Rh2 -","- C22.5 H24 Br2 Cl3 F12 N3 P7 Rh2 -","- C45 H48 Br4 Cl6 F24 N6 P14 Rh4 -","2","1","","Alan F. Heyduk; Ann M. Macintosh; Daniel G. Nocera","Four-Electron Photochemistry of Dirhodium Fluorophosphine Compounds","Journal of the American Chemical Society","1999","121","","5023","5032","10.1021/ja9902017","","","0.71073","MoKα","","0.0516","0.0464","","0.1347","0.1183","","","","1.073","1.062","1.062","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116406","9.711","0.013","12.304","0.009","13.715","0.009","64.01","0.06","85.28","0.09","71.29","0.09","1392","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 I N O4 S3 -","- C26 H32 I N O4 S3 -","- C52 H64 I2 N2 O8 S6 -","2","1","","M. V. Alfimov; S. P. Gromov; Yu. V. Fedorov; O. A. Fedorova; A. I. Vedernikov; A. V. Churakov; L. G. Kuz'mina; J. A. K. Howard; S. Bossmann; A. Braun; M. Woerner; D. F. Sears; J. Saltiel","Synthesis, Structure, and Ion Selective Complexation of Trans and Cis Isomers of Photochromic Dithia-18-crown-6 Ethers","Journal of the American Chemical Society","1999","121","","4992","5000","10.1021/ja990370r","","","0.71073","MoKα","","0.0787","0.056","","0.1986","0.1779","","","","1.075","1.106","1.106","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116407","29.217","0.005","15.996","0.005","18.244","0.005","90","","94.965","0.01","90","","8494","4","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H132 Fe4 O18 -","- C72 H110.4 Fe4 O18 -","- C288 H441.6 Fe16 O72 -","4","0.5","","A. L. Barra; A. Caneschi; A. Cornia; F. Fabrizi de Biani; D. Gatteschi; C. Sangregorio; R. Sessoli; L. Sorace","Single-Molecule Magnet Behavior of a Tetranuclear Iron(III) Complex. The Origin of Slow Magnetic Relaxation in Iron(III) Clusters","Journal of the American Chemical Society","1999","121","","5302","5310","10.1021/ja9818755","","","1.54052","CuKα","","0.141","0.075","","","0.2091","0.2509","","","","","","1.084","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116408","17.5143","0.0002","18.7538","0.0001","20.7147","0.0002","90","","111.945","0.001","90","","6310.95","0.11","173","2","173","2","","","","","","","Dr. H.-F. Hsu / Prof. L. Que, Jr.","6","C 1 2/c 1","-C 2yc","15","98089b","","","- C57 H80 Cl3 Fe2 N8 O17 -","- C56 H76 Cl3 Fe2 N8 O16 -","- C224 H304 Cl12 Fe8 N32 O64 -","4","0.5","","Hua-Fen Hsu; Yanhong Dong; Lijin Shu; Victor G. Young; Lawrence Que","Crystal Structure of a Synthetic High-Valent Complex with an Fe2(μ-O)2 Diamond Core. Implications for the Core Structures of Methane Monooxygenase Intermediate Q and Ribonucleotide Reductase Intermediate X","Journal of the American Chemical Society","1999","121","","5230","5237","10.1021/ja983666q","","","0.71073","MoKα","","0.0783","0.0603","","0.1568","0.1465","","","","1.04","1.106","1.106","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116409","9.3223","0.0005","19.1403","0.0009","21.5806","0.0012","90","","98.795","0.003","90","","3805.4","0.3","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 Cl Fe N7 O5 -","- C40 H50 Cl Fe N7 O5 -","- C160 H200 Cl4 Fe4 N28 O20 -","4","1","","Mary K. Ellison; W. Robert Scheidt","Synthesis, Molecular Structures, and Properties of Six-Coordinate [Fe(OEP)(L)(NO)]+ Derivatives: Elusive Nitrosyl Ferric Porphyrins","Journal of the American Chemical Society","1999","121","","5210","5219","10.1021/ja984308q","","","0.71073","MoKα","","0.0614","0.0504","","","0.1126","0.1192","","","","","","1.038","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116410","10.5062","0.0005","13.705","0.003","14.5932","0.0014","80.136","0.007","82.344","0.007","77.504","0.01","2011","0.5","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50.5 Cl1.5 Fe N7 O5 -","- C42 H50.5 Cl1.5 Fe N7 O5 -","- C84 H101 Cl3 Fe2 N14 O10 -","2","1","","Mary K. Ellison; W. Robert Scheidt","Synthesis, Molecular Structures, and Properties of Six-Coordinate [Fe(OEP)(L)(NO)]+ Derivatives: Elusive Nitrosyl Ferric Porphyrins","Journal of the American Chemical Society","1999","121","","5210","5219","10.1021/ja984308q","","","0.71073","MoKα","","0.0828","0.0693","","","0.1922","0.2048","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116411","10.1175","0.0004","13.1764","0.0009","29.975","0.003","90","","96.43","0.005","90","","3970.9","0.5","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H50 Cl Fe N7 O5 -","- C43 H50 Cl Fe N7 O5 -","- C172 H200 Cl4 Fe4 N28 O20 -","4","1","","Mary K. Ellison; W. Robert Scheidt","Synthesis, Molecular Structures, and Properties of Six-Coordinate [Fe(OEP)(L)(NO)]+ Derivatives: Elusive Nitrosyl Ferric Porphyrins","Journal of the American Chemical Society","1999","121","","5210","5219","10.1021/ja984308q","","","0.71073","MoKα","","0.0912","0.0806","","","0.1943","0.202","","","","","","1.081","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116412","12.748","0.002","22.8417","0.0016","14.8903","0.001","90","","99.677","0.005","90","","4274.2","0.8","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86.8 H101 Cl3.8 Fe2 N12 O10 -","- C86.836 H91.03 Cl3.806 Fe2 N12 O10 -","- C173.672 H182.06 Cl7.612 Fe4 N24 O20 -","2","0.5","","Mary K. Ellison; W. Robert Scheidt","Synthesis, Molecular Structures, and Properties of Six-Coordinate [Fe(OEP)(L)(NO)]+ Derivatives: Elusive Nitrosyl Ferric Porphyrins","Journal of the American Chemical Society","1999","121","","5210","5219","10.1021/ja984308q","","","0.71073","MoKα","","0.0848","0.0655","","","0.1607","0.1761","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116413","10.4276","0.0012","10.597","0.002","18.353","0.002","83.267","0.016","81.528","0.007","76.541","0.01","1943.5","0.5","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H48 Cl Fe N7 O5.4 -","- C40 H48 Cl Fe N7 O5.39 -","- C80 H96 Cl2 Fe2 N14 O10.78 -","2","1","","Mary K. Ellison; W. Robert Scheidt","Synthesis, Molecular Structures, and Properties of Six-Coordinate [Fe(OEP)(L)(NO)]+ Derivatives: Elusive Nitrosyl Ferric Porphyrins","Journal of the American Chemical Society","1999","121","","5210","5219","10.1021/ja984308q","","","0.71073","MoKα","","0.1717","0.1056","","","0.2584","0.3065","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116414","28.074","0.005","11.287","0.001","23.654","0.003","90","0.01","117.1","0.01","90","0.01","6672.4","1.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H74 N9 O12 -","- C43 H75 N9 O13 -","- C172 H300 N36 O52 -","4","1","","M. Dhanasekaran; F. Fabiola; V. Pattabhi; S. Durani","A Rationally Designed Turn-Helix Peptide","Journal of the American Chemical Society","1999","121","","5575","5576","10.1021/ja984237v","","","1.5418","CuKa","","0.1793","0.0988","","0.4641","0.2496","","","","1.136","1.076","1.076","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116415","17.742","0.002","18.815","0.002","21.564","0.002","112.265","0.007","103.62","0.007","97.633","0.007","6274","1.2","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C126 H120 Ag F18 N10 O11 P3 Ru -","- C126 H108 Ag F18 N10 O9.5 P3 Ru -","- C252 H216 Ag2 F36 N20 O19 P6 Ru2 -","2","1","","Diego J. Cárdenas; Jean-Paul Collin; Pablo Gaviña; Jean-Pierre Sauvage; André De Cian; Jean Fischer; Nicola Armaroli; Lucia Flamigni; Veronica Vicinelli; Vincenzo Balzani","Synthesis, X-ray Structure, and Electrochemical and Excited-State Properties of Multicomponent Complexes Made of a [Ru(Tpy)2]2+ Unit Covalently Linked to a [2]-Catenate Moiety. Controlling the Energy-Transfer Direction by Changing the Catenate Metal Ion","Journal of the American Chemical Society","1999","121","","5481","5488","10.1021/ja990036v","","","0.71073","Mo-Kα","","0.166","0.068","","0.253","0.097","","","","5.532","1.8","1.8","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116416","17.174","0.005","24.252","0.007","13.223","0.004","92.9","0.02","95","0.02","91.86","0.02","5476","3","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C103 H104 Cu F18 N12 O12 P3 Ru -","- C103 H84 Cu F18 N12 O12 P3 Ru -","- C206 H168 Cu2 F36 N24 O24 P6 Ru2 -","2","1","","Diego J. Cárdenas; Jean-Paul Collin; Pablo Gaviña; Jean-Pierre Sauvage; André De Cian; Jean Fischer; Nicola Armaroli; Lucia Flamigni; Veronica Vicinelli; Vincenzo Balzani","Synthesis, X-ray Structure, and Electrochemical and Excited-State Properties of Multicomponent Complexes Made of a [Ru(Tpy)2]2+ Unit Covalently Linked to a [2]-Catenate Moiety. Controlling the Energy-Transfer Direction by Changing the Catenate Metal Ion","Journal of the American Chemical Society","1999","121","","5481","5488","10.1021/ja990036v","","","1.54184","Cu-Kα","","0.122","0.084","","0.147","","0.121","","","1.883","","","1.533","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116417","18.0798","0.0009","12.1004","0.0006","14.5384","0.0007","90","","110.213","0.001","90","","2984.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 N4 O4 -","- C32 H44 N4 O4 -","- C128 H176 N16 O16 -","4","1","","Stephen L. De Wall; Eric S. Meadows; Leonard J. Barbour; George W. Gokel","Solution- and Solid-State Evidence for Alkali Metal Cation-π Interactions with Indole, the Side Chain of Tryptophan","Journal of the American Chemical Society","1999","121","","5613","5614","10.1021/ja9907921","","","0.7107","MoKα","","0.0648","0.0458","","","0.1034","0.1139","","","","","","1.033","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116418","17.3841","0.0009","12.1395","0.0006","15.4777","0.0008","90","","91.854","0.001","90","","3264.6","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 I N4 Na O4 -","- C32 H44 I N4 Na O4 -","- C128 H176 I4 N16 Na4 O16 -","4","0.5","","Stephen L. De Wall; Eric S. Meadows; Leonard J. Barbour; George W. Gokel","Solution- and Solid-State Evidence for Alkali Metal Cation-π Interactions with Indole, the Side Chain of Tryptophan","Journal of the American Chemical Society","1999","121","","5613","5614","10.1021/ja9907921","","","0.71073","MoKα","","0.0332","0.0277","","","0.0649","0.0669","","","","","","1.041","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116419","17.237","0.001","12.0426","0.0007","15.951","0.0009","90","","90.261","0.001","90","","3311","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 I K N4 O4 -","- C32 H44 I K N4 O4 -","- C128 H176 I4 K4 N16 O16 -","4","0.5","","Stephen L. De Wall; Eric S. Meadows; Leonard J. Barbour; George W. Gokel","Solution- and Solid-State Evidence for Alkali Metal Cation-π Interactions with Indole, the Side Chain of Tryptophan","Journal of the American Chemical Society","1999","121","","5613","5614","10.1021/ja9907921","","","0.71073","MoKα","","0.0381","0.0291","","","0.0682","0.0711","","","","","","1.034","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116420","10.9698","0.0008","13.0812","0.0009","11.9828","0.0009","90","","95.062","0.001","90","","1712.8","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 F6 K N4 O4 P -","- C32 H44 F6 K N4 O4 P -","- C64 H88 F12 K2 N8 O8 P2 -","2","0.5","","Stephen L. De Wall; Eric S. Meadows; Leonard J. Barbour; George W. Gokel","Solution- and Solid-State Evidence for Alkali Metal Cation-π Interactions with Indole, the Side Chain of Tryptophan","Journal of the American Chemical Society","1999","121","","5613","5614","10.1021/ja9907921","","","0.71073","MoKα","","0.049","0.0325","","","0.0842","0.0901","","","","","","1.049","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116421","9.715","0.007","15.052","0.01","22.819","0.015","90","","90","","90","","3337","4","298","","298","2","","","","","","","","4","P c 21 n","P -2n -2ac","33","dipyridiniomethane dodecamethyl-closo-decaborate(2-) acetonitrile","","","- C25 H51 B12 N3 -","- C25 H48 B12 N3 -","- C100 H192 B48 N12 -","4","1","","Toralf Peymann; Carolyn B. Knobler; M. Frederick Hawthorne","An Icosahedral Array of Methyl Groups Supported by an Aromatic Borane Scaffold: The [closo-B12(CH3)12]2- Ion","Journal of the American Chemical Society","1999","121","","5601","5602","10.1021/ja990884q","","","1.5418","CuKα","","0.1351","0.0735","","0.2316","0.1846","","","","1.042","1.128","1.128","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116422","19.913","0.001","19.913","0.001","9.269","0.001","90","0.001","90","0.001","90","0.001","3675.4","0.5","298","","","","","","","","","","Local laboratory","4","I 4","I 4","79","","","","- C19 H25 N4 P -","- C19 H25 N4 P -","- C152 H200 N32 P8 -","8","1","","Jean Michel Brunel; Olivier Legrand; Sébastien Reymond; Gérard Buono","First Iminodiazaphospholidines with a Stereogenic Phosphorus Center. Application to Asymmetric Copper-Catalyzed Cyclopropanation","Journal of the American Chemical Society","1999","121","","5807","5808","10.1021/ja984295g","","","0.71073","xray","","","0.041","","","0.187","","","","","1.894","1.894","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4116423","12.7068","0.0002","13.0137","0.0002","14.3285","0.0002","70.13","0.001","72.953","0.001","65.408","0.001","1994.07","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Dysprosium N, N', N'', N'''-tetrakis(R)-( )-1,4,7 ,10-tetraazacyclododecane","","- C20 H47 Dy F18 N8 O7.5 P3 -","- C20 H42 Dy F18 N8 O8.5 P3 -","- C40 H84 Dy2 F36 N16 O17 P6 -","2","1","","Silvio Aime; Alessandro Barge; James I. Bruce; Mauro Botta; Judith A. K. Howard; Janet M. Moloney; David Parker; Alvaro S. de Sousa; Mark Woods","NMR, Relaxometric, and Structural Studies of the Hydration and Exchange Dynamics of Cationic Lanthanide Complexes of Macrocyclic Tetraamide Ligands","Journal of the American Chemical Society","1999","121","","5762","5771","10.1021/ja990225d","","","0.71073","MoKα","","0.0271","0.0234","","0.0589","0.0563","","","","1.064","1.06","1.06","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116424","11.018","0.002","20.019","0.004","11.822","0.002","90","","91.3","0.03","90","","2606.9","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H40 Cl2 N4 O13 -","- C16 H29 Cl1.99 N4 O12.665 -","- C64 H116 Cl7.96 N16 O50.66 -","4","1","","Silvio Aime; Alessandro Barge; James I. Bruce; Mauro Botta; Judith A. K. Howard; Janet M. Moloney; David Parker; Alvaro S. de Sousa; Mark Woods","NMR, Relaxometric, and Structural Studies of the Hydration and Exchange Dynamics of Cationic Lanthanide Complexes of Macrocyclic Tetraamide Ligands","Journal of the American Chemical Society","1999","121","","5762","5771","10.1021/ja990225d","","","1.54178","CuKα","","0.0888","0.0815","","","0.2293","0.2501","","","","","","1.09","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116425","32.517","0.007","8.723","0.0017","18.638","0.004","90","","106.13","0.03","90","","5078","2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H43 N8 O5.5 -","- C20 H43 N8 O5.5 -","- C160 H344 N64 O44 -","8","1","","Silvio Aime; Alessandro Barge; James I. Bruce; Mauro Botta; Judith A. K. Howard; Janet M. Moloney; David Parker; Alvaro S. de Sousa; Mark Woods","NMR, Relaxometric, and Structural Studies of the Hydration and Exchange Dynamics of Cationic Lanthanide Complexes of Macrocyclic Tetraamide Ligands","Journal of the American Chemical Society","1999","121","","5762","5771","10.1021/ja990225d","","","1.54184","CuKα","","0.0952","0.0765","","","0.1956","0.2179","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116426","6.919","0.001","15.315","0.003","23.727","0.004","90","","90","","90","","2514.2","0.7","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tricarbonylchloro(way)technetium(I)","","- C23 H26 Cl N4 O4 Tc -","- C23 H26 Cl N4 O4 Tc -","- C92 H104 Cl4 N16 O16 Tc4 -","4","1","","Roger Alberto; Roger Schibli; August P. Schubiger; Ulrich Abram; H.-J. Pietzsch; B. Johannsen","First Application of fac-[99mTc(OH2)3(CO)3]+ in Bioorganometallic Chemistry: Design, Structure, and in Vitro Affinity of a 5-HT1A Receptor Ligand Labeled with 99mTc","Journal of the American Chemical Society","1999","121","","6076","6077","10.1021/ja990765a","","","1.54184","CuKα","","0.0448","0.0333","","","0.0759","0.0799","","","","","","1.031","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116427","16.072","0.001","7.538","0.001","32.914","0.002","90","","103.349","0.003","90","","3879.8","0.6","220","","220","","","","","","","","by syntheses","2","P 1 21/a 1","-P 2yab","14","","","","- C38 H30 -","- C38 H30 -","- C228 H180 -","6","1.5","","Paul F. van Hutten; Jurjen Wildeman; Auke Meetsma; Georges Hadziioannou","Molecular Packing in Unsubstituted Semiconducting Phenylenevinylene Oligomer and Polymer","Journal of the American Chemical Society","1999","121","","5910","5918","10.1021/ja990934r","","","0.71073","MoKα","","0.238","0.0917","","","0.2114","0.2632","","","","","","0.882","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116428","10.0768","0.0004","11.0129","0.0005","28.318","0.0012","90","","91.302","0.001","90","","3141.8","0.2","173","2","173","2","","","","","","","Dr. S. Lange / Prof. L. Que","6","P 1 21/n 1","-P 2yn","14","98198a","","","- C28 H28 Cl2 Fe N6 O8 -","- C28 H28 Cl2 Fe N6 O8 -","- C112 H112 Cl8 Fe4 N24 O32 -","4","1","","Steven J. Lange; Hiroyuki Miyake; Lawrence Que","Evidence for a Nonheme Fe(IV)O Species in the Intramolecular Hydroxylation of a Phenyl Moiety","Journal of the American Chemical Society","1999","121","","6330","6331","10.1021/ja990233u","","","0.71073","MoKα","","0.1184","0.0653","","0.1155","0.1002","","","","1.08","1.196","1.196","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116429","9.8427","0.0007","13.982","0.0009","15.5076","0.001","64.763","0.001","77.158","0.001","88.792","0.001","1875.6","0.2","173","2","173","2","","","","","","","S. Lange / Prof. L. Que","6","P -1","-P 1","2","99074a","","","- C48 H41 B Fe N4 O1.5 -","- C48 H41 B Fe N4 O1.5 -","- C96 H82 B2 Fe2 N8 O3 -","2","1","","Steven J. Lange; Hiroyuki Miyake; Lawrence Que","Evidence for a Nonheme Fe(IV)O Species in the Intramolecular Hydroxylation of a Phenyl Moiety","Journal of the American Chemical Society","1999","121","","6330","6331","10.1021/ja990233u","","","0.71073","MoKα","","0.0497","0.0389","","0.1048","0.0993","","","","1.015","1.074","1.074","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116430","8.607","0.003","9.955","0.004","11.415","0.004","90","","111.09","0.04","90","","912.6","0.6","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H25 B F4 O6 Pt -","- C12 H25 B F4 O6 Pt -","- C24 H50 B2 F8 O12 Pt2 -","2","1","","Henrik Junicke; Clemens Bruhn; Ralph Kluge; Anthony S. Serianni; Dirk Steinborn","Novel Platinum(IV)-Carbohydrate Complexes: Metal Ion Coordination Behavior of Monosaccharides in Organic Solvents","Journal of the American Chemical Society","1999","121","","6232","6241","10.1021/ja9902726","","","0.71073","MoKα","","0.0582","0.056","","0.1371","0.1353","","","","1.091","1.109","1.109","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116431","9.851","0.002","11.141","0.004","20.418","0.006","90","","90","","90","","2240.9","1.1","220","2","220","2","","","","","","","see experimental","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H31 B F4 O7 Pt -","- C15 H31 B F4 O7 Pt -","- C60 H124 B4 F16 O28 Pt4 -","4","1","","Henrik Junicke; Clemens Bruhn; Ralph Kluge; Anthony S. Serianni; Dirk Steinborn","Novel Platinum(IV)-Carbohydrate Complexes: Metal Ion Coordination Behavior of Monosaccharides in Organic Solvents","Journal of the American Chemical Society","1999","121","","6232","6241","10.1021/ja9902726","","","0.71073","MoKα","","0.0873","0.0581","","0.1436","0.128","","","","0.955","1.021","1.021","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116432","10.096","0.001","11.27","0.001","20.127","0.001","81.47","0.01","75.94","0.01","73.4","0.01","2121.2","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","4,4'-bis[[3'',5''-bis[3''',5'''-bis(benzyloxy)]benzyloxy]phenylethyl]-2,2'-b ipyridine","","- C110 H96 N2 O12 -","- C110 H96 N2 O12 -","- C110 H96 N2 O12 -","1","0.5","","Fritz Vögtle; Marcus Plevoets; Martin Nieger; Gianluca C. Azzellini; Alberto Credi; Luisa De Cola; Valeria De Marchis; Margherita Venturi; Vincenzo Balzani","Dendrimers with a Photoactive and Redox-Active [Ru(bpy)3]2±Type Core: Photophysical Properties, Electrochemical Behavior, and Excited-State Electron-Transfer Reactions","Journal of the American Chemical Society","1999","121","","6290","6298","10.1021/ja990430t","","","0.71073","MoKα","","0.1133","0.0391","","","0.0708","","","","0.763","1.031","1.031","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116433","8.19","0.0004","13.932","0.001","16.002","0.001","90","","99.271","0.003","90","","1802.03","0.19","296.2","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","John L. Wood; Alexandra A. Holubec; Brian M. Stoltz; Matthew M. Weiss; Julie A. Dixon; Brian D. Doan; Mohammed F. Shamji; Jennifer M. Chen; Timothy P. Heffron","Application of Reactive Enols in Synthesis: A Versatile, Efficient, and Stereoselective Construction of the Welwitindolinone Carbon Skeleton","Journal of the American Chemical Society","1999","121","","6326","6327","10.1021/ja991022s","","","0.7107","MoKalpha","","","0.0607","","","0.0594","","","","","2.558","2.558","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116434","10.1123","0.0003","12.437","0.001","15.961","0.001","90","","104.98","0.01","90","","1939.1","0.2","183.2","","183.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","1","","John L. Wood; Alexandra A. Holubec; Brian M. Stoltz; Matthew M. Weiss; Julie A. Dixon; Brian D. Doan; Mohammed F. Shamji; Jennifer M. Chen; Timothy P. Heffron","Application of Reactive Enols in Synthesis: A Versatile, Efficient, and Stereoselective Construction of the Welwitindolinone Carbon Skeleton","Journal of the American Chemical Society","1999","121","","6326","6327","10.1021/ja991022s","","","0.7107","MoKalpha","","","0.0471","","","0.0648","","","","","2.556","2.556","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116435","13.61","0.001","8.1789","0.0004","15.026","0.001","90","","93.319","0.003","90","","1669.81","0.18","183.2","","183.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","John L. Wood; Alexandra A. Holubec; Brian M. Stoltz; Matthew M. Weiss; Julie A. Dixon; Brian D. Doan; Mohammed F. Shamji; Jennifer M. Chen; Timothy P. Heffron","Application of Reactive Enols in Synthesis: A Versatile, Efficient, and Stereoselective Construction of the Welwitindolinone Carbon Skeleton","Journal of the American Chemical Society","1999","121","","6326","6327","10.1021/ja991022s","","","0.7107","MoKalpha","","","0.0664","","","0.0605","","","","","2.063","2.063","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116436","35.29","0.01","8.897","0.009","11.656","0.008","90","","103.03","0.05","90","","3565","5","296.2","","296.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 Cl2 N O3 -","- C19 H23 Cl2 N O3 -","- C152 H184 Cl16 N8 O24 -","8","1","","John L. Wood; Alexandra A. Holubec; Brian M. Stoltz; Matthew M. Weiss; Julie A. Dixon; Brian D. Doan; Mohammed F. Shamji; Jennifer M. Chen; Timothy P. Heffron","Application of Reactive Enols in Synthesis: A Versatile, Efficient, and Stereoselective Construction of the Welwitindolinone Carbon Skeleton","Journal of the American Chemical Society","1999","121","","6326","6327","10.1021/ja991022s","","","0.7107","MoKalpha","","","0.0504","","","0.0525","","","","","1.501","1.501","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116437","8.1052","0.0003","9.418","0.0002","13.4027","0.0004","101.22","0.002","107.306","0.002","97.417","0.002","938.82","0.05","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Br N O3 -","- C22 H20 Br N O3 -","- C44 H40 Br2 N2 O6 -","2","1","","John L. Wood; Alexandra A. Holubec; Brian M. Stoltz; Matthew M. Weiss; Julie A. Dixon; Brian D. Doan; Mohammed F. Shamji; Jennifer M. Chen; Timothy P. Heffron","Application of Reactive Enols in Synthesis: A Versatile, Efficient, and Stereoselective Construction of the Welwitindolinone Carbon Skeleton","Journal of the American Chemical Society","1999","121","","6326","6327","10.1021/ja991022s","","","0.7107","MoKalpha","","","0.0349","","","0.0315","","","","","1.571","1.571","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116438","7.282","0.001","16.256","0.001","10.196","0.001","90","","91.46","0.01","90","","1206.6","0.2","296.2","","296.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","John L. Wood; Alexandra A. Holubec; Brian M. Stoltz; Matthew M. Weiss; Julie A. Dixon; Brian D. Doan; Mohammed F. Shamji; Jennifer M. Chen; Timothy P. Heffron","Application of Reactive Enols in Synthesis: A Versatile, Efficient, and Stereoselective Construction of the Welwitindolinone Carbon Skeleton","Journal of the American Chemical Society","1999","121","","6326","6327","10.1021/ja991022s","","","0.7107","MoKalpha","","","0.0445","","","0.0683","","","","","4.051","4.051","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116439","5.395","0.002","4.887","0.002","4.986","0.002","90","","90","","90","","131.46","0.09","200","","200","","","","","","","","","3","P m n 21","P 2ac -2","31","","borane ammonia","","- B H6 N -","- B H6 N -","- B2 H12 N2 -","2","0.5","","Wim T. Klooster; Thomas F. Koetzle; Per E. M. Siegbahn; Thomas B. Richardson; Robert H. Crabtree","Study of the N-H...H-B Dihydrogen Bond Including the Crystal Structure of BH3NH3 by Neutron Diffraction","Journal of the American Chemical Society","1999","121","","6337","6343","10.1021/ja9825332","","neutron","1.0462","neutron","","0.2833","0.1664","","0.1602","0.1093","","","","1.0467","1.0158","1.0158","","","","","has coordinates","282086","2023-03-28","13:50:54",""
"4116440","20.8935","0.0018","19.52","0.0018","25.113","0.002","90","","90.331","0.009","90","","10241.9","1.5","180","2","180","2","","","","","","","synthetic route","6","I 1 2/a 1","-I 2ya","15","","","","- C52 H92 I2 P2 Ru S -","- C52 H92 P2 Ru Si2 -","- C416 H736 P16 Ru8 Si16 -","8","1","","Fabien Delpech; Sylviane Sabo-Etienne; Jean-Claude Daran; Bruno Chaudret; Khansaa Hussein; Colin J. Marsden; Jean-Claude Barthelat","Ruthenium Complexes Containing Two Ru-(η2-Si-H) Bonds: Synthesis, Spectroscopic Properties, Structural Data, Theoretical Calculations, and Reactivity Studies","Journal of the American Chemical Society","1999","121","","6668","6682","10.1021/ja990199j","","","0.71073","MoKα","","","0.0257","","","0.0313","","","","","0.9675","0.9675","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116441","12.7187","0.0016","19.1092","0.0016","18.068","0.002","90","","90.594","0.013","90","","4391.1","0.8","160","2","160","2","","","","","","","synthetic route","6","C 1 c 1","C -2yc","9","","","","- C42 H86 I2 P2 Ru S -","- C42 H86 P2 Ru Si2 -","- C168 H344 P8 Ru4 Si8 -","4","1","","Fabien Delpech; Sylviane Sabo-Etienne; Jean-Claude Daran; Bruno Chaudret; Khansaa Hussein; Colin J. Marsden; Jean-Claude Barthelat","Ruthenium Complexes Containing Two Ru-(η2-Si-H) Bonds: Synthesis, Spectroscopic Properties, Structural Data, Theoretical Calculations, and Reactivity Studies","Journal of the American Chemical Society","1999","121","","6668","6682","10.1021/ja990199j","","","0.71073","MoKα","","","0.022","","","0.0247","","","","","1.0293","1.0293","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116442","9.907","0.001","10.9279","0.0012","24.785","0.003","99.037","0.011","99.503","0.011","100.28","0.011","2555.4","0.5","160","2","180","2","","","","","","","synthetic route","6","P -1","-P 1","2","","","","- C54 H80 I2 P2 Ru S -","- C54 H80 P2 Ru Si2 -","- C108 H160 P4 Ru2 Si4 -","2","1","","Fabien Delpech; Sylviane Sabo-Etienne; Jean-Claude Daran; Bruno Chaudret; Khansaa Hussein; Colin J. Marsden; Jean-Claude Barthelat","Ruthenium Complexes Containing Two Ru-(η2-Si-H) Bonds: Synthesis, Spectroscopic Properties, Structural Data, Theoretical Calculations, and Reactivity Studies","Journal of the American Chemical Society","1999","121","28","6668","6682","10.1021/ja990199j","","","0.71073","MoKα","","","0.0318","","","0.0355","","","","","","","1.0781","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116443","18.072","0.003","10.7807","0.0011","20.773","0.003","90","","106.855","0.018","90","","3873.3","1","150","2","150","2","","","","","","","synthetic route","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 I2 P2 Ru S -","- C42 H50 P2 Ru Si2 -","- C168 H200 P8 Ru4 Si8 -","4","1","","Fabien Delpech; Sylviane Sabo-Etienne; Jean-Claude Daran; Bruno Chaudret; Khansaa Hussein; Colin J. Marsden; Jean-Claude Barthelat","Ruthenium Complexes Containing Two Ru-(η2-Si-H) Bonds: Synthesis, Spectroscopic Properties, Structural Data, Theoretical Calculations, and Reactivity Studies","Journal of the American Chemical Society","1999","121","28","6668","6682","10.1021/ja990199j","","","0.71073","MoKα","","","0.0268","","","0.0278","","","","","1.0645","1.0645","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116444","20.272","0.002","19.862","0.003","24.91","0.003","90","","93.943","0.014","90","","10006","2","180","2","180","2","","","","","","","synthetic route","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H93 O2.5 P2 Ru Si3 -","- C44 H93 O2.5 P2 Ru Si3 -","- C352 H744 O20 P16 Ru8 Si24 -","8","1","","Fabien Delpech; Sylviane Sabo-Etienne; Jean-Claude Daran; Bruno Chaudret; Khansaa Hussein; Colin J. Marsden; Jean-Claude Barthelat","Ruthenium Complexes Containing Two Ru-(η2-Si-H) Bonds: Synthesis, Spectroscopic Properties, Structural Data, Theoretical Calculations, and Reactivity Studies","Journal of the American Chemical Society","1999","121","28","6668","6682","10.1021/ja990199j","","","0.71073","MoKα","","","0.0326","","","0.04","","","","","1.0951","1.0951","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116445","7.2873","0.0017","13.992","0.002","10.872","0.004","90","","92.45","0.02","90","","1107.5","0.5","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 B Cl2 F4 N2 S4 -","- C4 B Cl2 F4 N2 S4 -","- C16 B4 Cl8 F16 N8 S16 -","4","1","","T. M. Barclay; L. Beer; A. W. Cordes; R. C. Haddon; M. I. Itkis; R. T. Oakley; K. E. Preuss; R. W. Reed","trans-4,4'-Dichloro-1,1',2,2',3,3'-tetrathiadiazafulvalene (DC-TAF) and Its 1:1 Radical Cation Salts [DC-TAF][X]: Preparation and Solid-State Properties of BF4-, ClO4-, and FSO3- Derivatives","Journal of the American Chemical Society","1999","121","","6657","6663","10.1021/ja990933z","","","0.7107","MolybdenumKα","","","0.039","","","0.046","","","","","1.01","1.01","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116446","7.3774","0.0011","14.1757","0.0018","10.942","0.002","90","","91.732","0.015","90","","1143.8","0.3","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 Cl2 F N2 O2 S5 -","- C4 Cl2 F2 N2 O2 S5 -","- C16 Cl8 F8 N8 O8 S20 -","4","1","","T. M. Barclay; L. Beer; A. W. Cordes; R. C. Haddon; M. I. Itkis; R. T. Oakley; K. E. Preuss; R. W. Reed","trans-4,4'-Dichloro-1,1',2,2',3,3'-tetrathiadiazafulvalene (DC-TAF) and Its 1:1 Radical Cation Salts [DC-TAF][X]: Preparation and Solid-State Properties of BF4-, ClO4-, and FSO3- Derivatives","Journal of the American Chemical Society","1999","121","","6657","6663","10.1021/ja990933z","","","0.7107","MolybdenumKα","","","0.047","","","0.054","","","","","1.15","1.15","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116447","7.3684","0.0014","14.0572","0.0019","10.942","0.002","90","","91.937","0.017","90","","1132.7","0.3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 Cl3 N2 O4 S4 -","- C4 Cl3 N2 O4 S4 -","- C16 Cl12 N8 O16 S16 -","4","1","","T. M. Barclay; L. Beer; A. W. Cordes; R. C. Haddon; M. I. Itkis; R. T. Oakley; K. E. Preuss; R. W. Reed","trans-4,4'-Dichloro-1,1',2,2',3,3'-tetrathiadiazafulvalene (DC-TAF) and Its 1:1 Radical Cation Salts [DC-TAF][X]: Preparation and Solid-State Properties of BF4-, ClO4-, and FSO3- Derivatives","Journal of the American Chemical Society","1999","121","","6657","6663","10.1021/ja990933z","","","0.7093","MolybdenumKα","","","0.044","","0.049","","","","","","1.02","1.02","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116448","7.9364","0.0005","7.9364","0.0005","14.4339","0.001","90","","90","","120","","787.34","0.09","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","dititanium hexaniobium dodecaoxide","","- Nb6 O12 Ti2 -","- Nb6 O12 Ti2.16 -","- Nb18 O36 Ti6.48 -","3","0.166667","","Ekaterina V. Anokhina; Michael W. Essig; Cynthia S. Day; Abdessadek Lachgar","Ti2Nb6O12, a Novel Niobium Oxide Cluster Compound with ""Chevrel Phase"" Intercluster Connectivity Type","Journal of the American Chemical Society","1999","121","","6827","6833","10.1021/ja990759e","","","0.71073","MoKα","","0.0219","0.018","","","0.0342","0.0349","","","","","","1.116","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116449","17.0767","0.0003","9.1342","0.0003","16.3666","0.0005","90","","101.481","0.0016","90","","2501.81","0.12","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H34 N8 Ni O8 -","- C21 H28 N8 Ni O8 -","- C84 H112 N32 Ni4 O32 -","4","1","","Ann J. Stemmler; Cynthia J. Burrows","The Sal-XH Motif for Metal-Mediated Oxidative DNA-Peptide Cross-Linking","Journal of the American Chemical Society","1999","121","","6956","6957","10.1021/ja991164m","","","0.71069","MoKα","","0.0339","0.0334","","","0.0969","0.0974","","","","","","1.089","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116450","23.966","0.006","9.581","0.002","19.106","0.004","90","","104.763","0.005","90","","4242.3","1.6","213","2","213","2","","","","","","","synthesized","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(2,2'-dipyridylamidinato)dichromium(II)","","- C42 H36 Cl4 Cr2 N12 -","- C42 H36 Cl4 Cr2 N12 -","- C168 H144 Cl16 Cr8 N48 -","4","0.5","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Isabel Pascual; Hong-Cai Zhou","Remarkable Effects of Axial π* Coordination on the Cr-Cr Quadruple Bond in Dichromium Paddlewheel Complexes","Journal of the American Chemical Society","1999","121","","6856","6861","10.1021/ja9912675","","","0.71073","MoKα","","0.0564","0.051","","0.1319","0.1255","","","","1.038","1.047","1.047","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116451","27.2495","0.0008","16.4863","0.0013","29.413","0.002","90","","110.416","0.005","90","","12383.6","1.4","213","2","213","2","","","","","","","synthesized","5","I 1 2/a 1","-I 2ya","15","","Tetrakis(2,6-diphenyliminopiperidinato)dichromium(II)","","- C72 H72 Cr2 N12 O -","- C72 H72 Cr2 N12 O -","- C576 H576 Cr16 N96 O8 -","8","1","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Isabel Pascual; Hong-Cai Zhou","Remarkable Effects of Axial π* Coordination on the Cr-Cr Quadruple Bond in Dichromium Paddlewheel Complexes","Journal of the American Chemical Society","1999","121","","6856","6861","10.1021/ja9912675","","","0.71073","MoKα","","0.0751","0.0583","","0.1555","0.1325","","","","1.094","1.109","1.109","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116452","14.198","0.002","14.638","0.007","18.118","0.012","108.97","0.02","109.53","0.04","95.27","0.03","3270","3","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Tetrakis(2,6-diphenyliminopiperidinato)dichromium(II)","","- C76 H74 Cr2 N12 O2 -","- C76 H64 Cr2 N12 O2 -","- C152 H128 Cr4 N24 O4 -","2","1","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Isabel Pascual; Hong-Cai Zhou","Remarkable Effects of Axial π* Coordination on the Cr-Cr Quadruple Bond in Dichromium Paddlewheel Complexes","Journal of the American Chemical Society","1999","121","","6856","6861","10.1021/ja9912675","","","0.71073","MoKα","","0.0716","0.0598","","0.1588","0.1467","","","","1.057","1.065","1.065","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116453","27.197","0.003","16.467","0.008","29.511","0.01","90","","110.43","0.02","90","","12385","8","213","2","213","2","","","","","","","synthesized","5","I 1 2/a 1","-I 2ya","15","","Tetrakis(2,6-diphenyliminopiperidinato)dichromium(II)","","- C69 H66 Cl2 Cr2 N12 -","- C69.017 H64 Cl2.034 Cr2 N12 -","- C552.136 H512 Cl16.272 Cr16 N96 -","8","1","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Isabel Pascual; Hong-Cai Zhou","Remarkable Effects of Axial π* Coordination on the Cr-Cr Quadruple Bond in Dichromium Paddlewheel Complexes","Journal of the American Chemical Society","1999","121","","6856","6861","10.1021/ja9912675","","","0.71073","MoKα","","0.091","0.0704","","0.189","0.1596","","","","1.084","1.095","1.095","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116454","9.8649","0.0007","10.1338","0.0008","20.561","0.003","77.592","0.015","80.5","0.02","81.137","0.01","1964.9","0.4","213","2","213","2","","","","","","","synthesized","4","P -1","-P 1","2","","Tetrakas(2-phenyliminopiperidinato)dichromium(II)","","- C44 H52 Cr2 N8 -","- C44 H52 Cr2 N8 -","- C88 H104 Cr4 N16 -","2","1","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Isabel Pascual; Hong-Cai Zhou","Remarkable Effects of Axial π* Coordination on the Cr-Cr Quadruple Bond in Dichromium Paddlewheel Complexes","Journal of the American Chemical Society","1999","121","","6856","6861","10.1021/ja9912675","","","0.71073","MoKα","","0.0565","0.0493","","0.1262","0.1171","","","","1.121","1.114","1.114","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116455","18.1","0.004","11.706","0.002","16.595","0.003","90","","102.48","0.03","90","","3433","1.2","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C80 H64 Cr4 N24 -","- C80 H64 Cr4 N24 -","- C160 H128 Cr8 N48 -","2","0.25","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Isabel Pascual; Hong-Cai Zhou","Remarkable Effects of Axial π* Coordination on the Cr-Cr Quadruple Bond in Dichromium Paddlewheel Complexes","Journal of the American Chemical Society","1999","121","","6856","6861","10.1021/ja9912675","","","0.71073","MoKα","","0.1001","0.0686","","0.156","0.133","","","","1.209","1.231","1.231","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116456","18.009","0.003","5.917","0.001","29.989","0.006","90","","99.23","0.01","90","","3154.2","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C136 H152 N8 O32 -","8","2","","Stephen F. Martin; Kenneth J. Barr; Dudley W. Smith; Scott K. Bur","Applications of Vinylogous Mannich Reactions. Concise Enantiospecific Total Syntheses of (+)-Croomine","Journal of the American Chemical Society","1999","121","","6990","6997","10.1021/ja990077r","","","0.71073","MoKα","","0.1777","0.0626","","0.1351","0.1009","","","","1.002","1.234","1.234","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116457","14.448","0.001","8.3839","0.0008","12.563","0.001","90","","112.41","0.01","90","","1406.8","0.2","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Stephen F. Martin; Kenneth J. Barr; Dudley W. Smith; Scott K. Bur","Applications of Vinylogous Mannich Reactions. Concise Enantiospecific Total Syntheses of (+)-Croomine","Journal of the American Chemical Society","1999","121","","6990","6997","10.1021/ja990077r","","","0.71073","MoKα","","0.0868","0.0491","","0.1216","0.1048","","","","1.032","1.124","1.124","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116458","6.154","0.004","11.495","0.015","12.322","0.01","96.24","0.09","102.65","0.06","97.01","0.08","835.9","1.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C36 H42 N2 O8 -","2","1","","Stephen F. Martin; Kenneth J. Barr; Dudley W. Smith; Scott K. Bur","Applications of Vinylogous Mannich Reactions. Concise Enantiospecific Total Syntheses of (+)-Croomine","Journal of the American Chemical Society","1999","121","","6990","6997","10.1021/ja990077r","","","0.71073","MoKα","","0.3303","0.1338","","0.2479","0.202","","","","1.768","2.827","2.827","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116459","12.162","0.002","6.282","0.001","21.198","0.002","90","","90.53","0.01","90","","1619.5","0.4","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Stephen F. Martin; Kenneth J. Barr; Dudley W. Smith; Scott K. Bur","Applications of Vinylogous Mannich Reactions. Concise Enantiospecific Total Syntheses of (+)-Croomine","Journal of the American Chemical Society","1999","121","","6990","6997","10.1021/ja990077r","","","0.71073","MoKα","","0.0919","0.0506","","0.1153","0.0958","","","","1.052","1.113","1.113","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116460","11.82","0.001","7.5952","0.0007","36.186","0.005","90","","90","","90","","3248.6","0.6","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C144 H168 N8 O32 -","8","1","","Stephen F. Martin; Kenneth J. Barr; Dudley W. Smith; Scott K. Bur","Applications of Vinylogous Mannich Reactions. Concise Enantiospecific Total Syntheses of (+)-Croomine","Journal of the American Chemical Society","1999","121","","6990","6997","10.1021/ja990077r","","","0.71073","MoKα","","0.1213","0.0517","","0.1107","0.0885","","","","1.011","1.152","1.152","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116461","6.34","0.0005","12.796","0.001","9.4006","0.0006","90","","101.502","0.006","90","","747.32","0.1","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C34 H38 N2 O8 -","2","1","","Stephen F. Martin; Kenneth J. Barr; Dudley W. Smith; Scott K. Bur","Applications of Vinylogous Mannich Reactions. Concise Enantiospecific Total Syntheses of (+)-Croomine","Journal of the American Chemical Society","1999","121","","6990","6997","10.1021/ja990077r","","","0.71073","MoKα","","0.0512","0.0399","","0.1047","0.0978","","","","1.047","1.067","1.067","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116462","6.1423","0.0004","9.9509","0.0008","13.63","0.001","74.383","0.007","88.256","0.007","73.228","0.006","767.19","0.1","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C34 H38 N2 O8 -","2","1","","Stephen F. Martin; Kenneth J. Barr; Dudley W. Smith; Scott K. Bur","Applications of Vinylogous Mannich Reactions. Concise Enantiospecific Total Syntheses of (+)-Croomine","Journal of the American Chemical Society","1999","121","","6990","6997","10.1021/ja990077r","","","0.71073","MoKα","","0.0924","0.0495","","0.1193","0.0996","","","","0.995","1.053","1.053","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116463","3.9424","0.0002","7.2936","0.0004","24.6902","0.0011","90","","94.038","0.003","90","","708.19","0.06","161","2","161","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 O5 -","- C7 H8 O5 -","- C28 H32 O20 -","4","1","","Scott Lovell; Paramjeet Subramony; Bart Kahr","Poppy Acid: Synthesis and Crystal Chemistry","Journal of the American Chemical Society","1999","121","","7020","7025","10.1021/ja990402a","","","0.7107","MoKα","","0.0693","0.0534","","","0.1542","0.1688","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116464","15.9821","0.0004","6.3658","0.0001","19.6955","0.0005","90","","90","","90","","2003.8","0.08","161","2","161","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","meconic acid","","","- C7 H10 O10 -","- C7 H10 O10 -","- C56 H80 O80 -","8","1","","Scott Lovell; Paramjeet Subramony; Bart Kahr","Poppy Acid: Synthesis and Crystal Chemistry","Journal of the American Chemical Society","1999","121","","7020","7025","10.1021/ja990402a","","","0.7107","MoKα","","0.0578","0.0473","","","0.1426","0.1579","","","","","","1.169","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116465","12.2591","0.0006","9.8938","0.0005","16.2499","0.0004","90","","95.791","0.0003","90","","1960.88","0.15","161","2","161","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","meconic acid","","","- C7 H10 O10 -","- C7 H10 O10 -","- C56 H80 O80 -","8","1","","Scott Lovell; Paramjeet Subramony; Bart Kahr","Poppy Acid: Synthesis and Crystal Chemistry","Journal of the American Chemical Society","1999","121","","7020","7025","10.1021/ja990402a","","","0.7107","MoKα","","0.0664","0.0451","","","0.1184","0.1278","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116466","10.2025","0.0002","6.7648","0.0002","18.0353","0.0006","90","","102.846","0.002","90","","1213.6","0.06","161","2","161","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Br O6 -","- C11 H11 Br O6 -","- C44 H44 Br4 O24 -","4","1","","Scott Lovell; Paramjeet Subramony; Bart Kahr","Poppy Acid: Synthesis and Crystal Chemistry","Journal of the American Chemical Society","1999","121","","7020","7025","10.1021/ja990402a","","","0.7107","MoKα","","0.07","0.058","","","0.1596","0.1656","","","","","","1.141","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116467","10.3391","0.0002","12.8377","0.0006","14.0874","0.0006","90","","101.049","0.002","90","","1835.16","0.12","161","2","161","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 K O8 -","- C7 H5 K O8 -","- C56 H40 K8 O64 -","8","2","","Scott Lovell; Paramjeet Subramony; Bart Kahr","Poppy Acid: Synthesis and Crystal Chemistry","Journal of the American Chemical Society","1999","121","","7020","7025","10.1021/ja990402a","","","0.7107","MoKα","","0.0747","0.0488","","","0.1325","0.146","","","","","","1.034","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116468","6.554","0.002","16.73","0.004","9.633","0.002","90","","106","0.02","90","","1015.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 K O9 -","- C7 H7 K O9 -","- C28 H28 K4 O36 -","4","1","","Scott Lovell; Paramjeet Subramony; Bart Kahr","Poppy Acid: Synthesis and Crystal Chemistry","Journal of the American Chemical Society","1999","121","","7020","7025","10.1021/ja990402a","","","0.7093","Mo-Kα","","0.0904","0.0439","","","0.1002","0.1348","","","","","","1.117","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116469","14.841","0.008","21.055","0.016","29.308","0.016","90","","90","","90","","9158","10","154","2","154","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","C~60~^.^2Co(OEP)^.^CHCl~3~","","","- C133 H89 Cl3 Co2 N8 -","- C133 H89 Cl3 Co2 N8 -","- C532 H356 Cl12 Co8 N32 -","4","1","","Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch","Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units","Journal of the American Chemical Society","1999","121","","7090","7097","10.1021/ja990618c","","","0.71073","MoKα","","0.1299","0.0823","","0.1969","0.1711","","","","1.109","1.212","1.212","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116470","14.833","0.004","20.936","0.005","29.515","0.009","90","","90","","90","","9166","4","156","2","156","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","C~60~^.^2Zn(OEP)^.^CHCl~3~","","","- C133 H89 Cl3 N8 Zn2 -","- C133 H89 Cl3 N8 Zn2 -","- C532 H356 Cl12 N32 Zn8 -","4","1","","Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch","Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units","Journal of the American Chemical Society","1999","121","","7090","7097","10.1021/ja990618c","","","0.71073","MoKα","","0.1062","0.0689","","","0.128","0.1483","","","","","","1.15","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116471","14.846","0.003","21.06","0.005","29.249","0.008","90","","90","","90","","9145","4","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Co(OEP)]~2~C~60~O^.^CHCl~3~","","","- C133 H89 Cl3 Co2 N8 O -","- C133 H89 Cl2.994 Co2 N8 O0.727 -","- C532 H356 Cl11.976 Co8 N32 O2.908 -","4","1","","Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch","Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units","Journal of the American Chemical Society","1999","121","","7090","7097","10.1021/ja990618c","","","1.54178","CuKα","","0.1133","0.0689","","0.1844","0.1548","","","","1.063","1.122","1.122","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116472","14.359","0.0002","14.628","0.0002","18.7817","0.0002","89.879","0.001","87.452","0.001","61.097","0.001","3449.32","0.08","156","2","156","2","","","","","","","","5","P -1","-P 1","2","C~70~^.^Co(OEP)^.^CHCl~3~^.^benzene","","","- C113 H50 Cl3 Co N4 -","- C113 H50 Cl3 Co N4 -","- C226 H100 Cl6 Co2 N8 -","2","1","","Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch","Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units","Journal of the American Chemical Society","1999","121","","7090","7097","10.1021/ja990618c","","","0.71073","MoKα","","0.1649","0.1019","","0.3097","0.2549","","","","1.081","1.251","1.251","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116473","14.412","0.002","14.723","0.002","18.882","0.002","89.579","0.011","86.987","0.01","60.562","0.01","3483.6","0.8","130","2","130","2","","","","","","","","5","P -1","-P 1","2","C~70~^.^Ni(OEP)^.^CHCl~3~^.^benzene","","","- C113 H50 Cl3 N4 Ni -","- C113 H50 Cl3 N4 Ni -","- C226 H100 Cl6 N8 Ni2 -","2","1","","Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch","Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units","Journal of the American Chemical Society","1999","121","","7090","7097","10.1021/ja990618c","","","1.54178","CuKα","","0.1645","0.0986","","","0.2464","0.3056","","","","","","1.02","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116474","18.951","0.004","20.784","0.004","15.81","0.003","90","","90","","90","","6227","2","130","2","130","2","","","","","","","","5","C m c m","-C 2c 2","63","C~60~^.^ClFe(OEP)^.^CHCl~3~","","","- C97 H45 Cl4 Fe N4 -","- C97 H48 Cl4 Fe N4 -","- C388 H192 Cl16 Fe4 N16 -","4","0.25","","Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch","Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units","Journal of the American Chemical Society","1999","121","","7090","7097","10.1021/ja990618c","","","1.54178","CuKα","","0.144","0.1258","","","0.3252","0.3435","","","","","","1.052","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116475","24.271","0.005","15.199","0.002","17.27","0.002","90","","108.974","0.011","90","","6024.7","1.7","130","2","130","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","(C~60~OC~60~)^.^2Co(OEP)^.^1.2CHCl~3~^.^0.8benzene","","","- C198 H94 Cl3.6 Co2 N8 O -","- C201.9 H94 Cl3.6 Co2 N8 O -","- C403.8 H188 Cl7.2 Co4 N16 O2 -","2","0.25","","Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch","Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units","Journal of the American Chemical Society","1999","121","","7090","7097","10.1021/ja990618c","","","1.54178","CuKα","","0.2366","0.1508","","","0.3887","0.4554","","","","","","1.439","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116476","14.402","0.006","14.654","0.007","18.836","0.011","90.088","0.01","87.45","0.014","61.38","0.007","3485","3","156","2","156","2","","","","","","","","5","P -1","-P 1","2","C~70~^.^Cu(OEP)^.^CHCl~3~^.^benzene","","","- C113 H50 Cl3 Cu N4 -","- C113 H50 Cl3 Cu N4 -","- C226 H100 Cl6 Cu2 N8 -","2","1","","Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch","Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units","Journal of the American Chemical Society","1999","121","","7090","7097","10.1021/ja990618c","","","0.71073","MoKα","","0.2197","0.1262","","","0.3233","0.3829","","","","","","1.14","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116477","5.723","0.003","9.58","0.006","9.67","0.006","97.79","0.02","104.12","0.02","91.26","0.02","508.6","0.5","293","1","293","1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N4 Ni S6 -","- C18 H20 N4 Ni0.5 S10 -","- C18 H20 N4 Ni0.5 S10 -","1","0.5","","Maria Carla Aragoni; Massimiliano Arca; Francesco Demartin; Francesco A. Devillanova; Alessandra Garau; Francesco Isaia; Francesco Lelj; Vito Lippolis; Gaetano Verani","New [M(R,R'timdt)2] Metal-Dithiolenes and Related Compounds (M = Ni, Pd, Pt; R,R'timdt = Monoanion of Disubstituted Imidazolidine-2,4,5-trithiones): An Experimental and Theoretical Investigation","Journal of the American Chemical Society","1999","121","","7098","7107","10.1021/ja990827x","","","0.71073","MoKα","","0.107","0.043","","","0.048","","","","1.076","1.388","1.388","","","","","has coordinates","176338","2020-10-21","18:00:00",""
"4116478","15.419","0.002","15.799","0.002","12.989","0.001","90","0","126.14","0.01","90","0","2555.3","0.6","293","1","293","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N4 S6 -","- C22 H20 N4 S6 -","- C88 H80 N16 S24 -","4","0.5","","Maria Carla Aragoni; Massimiliano Arca; Francesco Demartin; Francesco A. Devillanova; Alessandra Garau; Francesco Isaia; Francesco Lelj; Vito Lippolis; Gaetano Verani","New [M(R,R'timdt)2] Metal-Dithiolenes and Related Compounds (M = Ni, Pd, Pt; R,R'timdt = Monoanion of Disubstituted Imidazolidine-2,4,5-trithiones): An Experimental and Theoretical Investigation","Journal of the American Chemical Society","1999","121","","7098","7107","10.1021/ja990827x","","","0.71073","MoKα","","0.039","0.026","","","0.033","","","","0.864","1.07","1.07","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116479","15.036","0.003","9.582","0.003","26.118","0.008","90","","102.23","0.02","90","","3677.5","1.8","296.2","","296.2","","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C25 H27 Br Cl2 F12 Mn N2 O7 -","- C25 H27 Br Cl2 F12 Mn N2 O7 -","- C100 H108 Br4 Cl8 F48 Mn4 N8 O28 -","4","1","","Fumiyasu Iwahori; Katsuya Inoue; Hiizu Iwamura","Mn(II)-Induced Formation and Structural Elucidation of a [3 + 3] Benzene Dimer Derivative from m-Phenylenebis(N-tert-butylaminoxyl)","Journal of the American Chemical Society","1999","121","","7264","7265","10.1021/ja9844534","","","0.7107","MoKα","","0.1445","0.0714","","0.0803","0.078","","","","3.305","4.468","4.468","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116480","4.9976","0.0009","10.802","0.004","12.494","0.004","81.28","0.03","82.871","0.019","83.31","0.02","658.2","0.3","294","","294","","","","","","","","?","3","P -1","-P 1","2","","","","- C30 H24 N6 -","- C30 H24 N6 -","- C30 H24 N6 -","1","0.5","","James L. Foley; Lian Li; Daniel J. Sandman; Michael J. Vela; Bruce M. Foxman; Rick Albro; Craig J. Eckhardt","Side Group Interactions in a Polydiacetylene Single Crystal","Journal of the American Chemical Society","1999","121","","7262","7263","10.1021/ja990436i","","","1.54178","CuKα","","","0.0652","","","0.086","","","","","0.9666","0.9666","","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4116481","4.935","0.002","10.861","0.007","12.373","0.012","82.77","0.07","83.84","0.07","83.25","0.05","650.5","0.8","294","","294","","","","","","","","?","3","P -1","-P 1","2","","","","- C15 H12 N3 -","- C15 H12 N3 -","- C30 H24 N6 -","2","1","","James L. Foley; Lian Li; Daniel J. Sandman; Michael J. Vela; Bruce M. Foxman; Rick Albro; Craig J. Eckhardt","Side Group Interactions in a Polydiacetylene Single Crystal","Journal of the American Chemical Society","1999","121","","7262","7263","10.1021/ja990436i","","","1.54178","CuKα","","","0.0845","","","0.1013","","","","","1.4143","1.4143","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116482","4.93","0.003","10.839","0.013","12.33","0.01","83.41","0.08","84.08","0.07","83.24","0.08","647.3","1","294","","294","","","","","","","","?","3","P -1","-P 1","2","","","","- C15 H12 N3 -","- C30 H24 N6 -","- C30 H24 N6 -","1","0.5","","James L. Foley; Lian Li; Daniel J. Sandman; Michael J. Vela; Bruce M. Foxman; Rick Albro; Craig J. Eckhardt","Side Group Interactions in a Polydiacetylene Single Crystal","Journal of the American Chemical Society","1999","121","","7262","7263","10.1021/ja990436i","","","1.54178","CuKα","","","0.0847","","","0.1056","","","","","1.1783","1.1783","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116483","4.9192","0.0016","10.847","0.005","12.21","0.01","84.49","0.06","84.7","0.05","83.1","0.03","641.6","0.6","294","","294","","","","","","","","?","3","P -1","-P 1","2","","","","- C15 H12 N3 -","- C15 H12 N3 -","- C30 H24 N6 -","2","1","","James L. Foley; Lian Li; Daniel J. Sandman; Michael J. Vela; Bruce M. Foxman; Rick Albro; Craig J. Eckhardt","Side Group Interactions in a Polydiacetylene Single Crystal","Journal of the American Chemical Society","1999","121","","7262","7263","10.1021/ja990436i","","","1.54178","CuKα","","","0.0904","","","0.1158","","","","","1.1492","1.1492","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116484","4.9085","0.0014","10.89","0.01","12.007","0.005","86.44","0.05","85.68","0.03","83.19","0.05","634.6","0.7","294","","294","","","","","","","","?","3","P -1","-P 1","2","","","","- C15 H12 N3 -","- C15 H12 N3 -","- C30 H24 N6 -","2","1","","James L. Foley; Lian Li; Daniel J. Sandman; Michael J. Vela; Bruce M. Foxman; Rick Albro; Craig J. Eckhardt","Side Group Interactions in a Polydiacetylene Single Crystal","Journal of the American Chemical Society","1999","121","","7262","7263","10.1021/ja990436i","","","1.54178","CuKα","","","0.0914","","","0.1043","","","","","1.1617","1.1617","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116485","4.9067","0.0005","10.9054","0.0009","11.8787","0.0015","87.517","0.009","86.25","0.01","83.147","0.008","629.33","0.12","294","","294","","","","","","","","?","3","P -1","-P 1","2","","","","- C15 H12 N3 -","- C15 H12 N3 -","- C30 H24 N6 -","2","1","","James L. Foley; Lian Li; Daniel J. Sandman; Michael J. Vela; Bruce M. Foxman; Rick Albro; Craig J. Eckhardt","Side Group Interactions in a Polydiacetylene Single Crystal","Journal of the American Chemical Society","1999","121","","7262","7263","10.1021/ja990436i","","","1.54178","CuKα","","","0.0801","","","0.1063","","","","","1.0335","1.0335","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116486","4.9052","0.0003","10.921","0.001","11.833","0.002","87.908","0.011","86.45","0.01","83.132","0.007","627.86","0.13","294","","294","","","","","","","","?","3","P -1","-P 1","2","","","","- C15 H12 N3 -","- C15 H12 N3 -","- C30 H24 N6 -","2","1","","James L. Foley; Lian Li; Daniel J. Sandman; Michael J. Vela; Bruce M. Foxman; Rick Albro; Craig J. Eckhardt","Side Group Interactions in a Polydiacetylene Single Crystal","Journal of the American Chemical Society","1999","121","","7262","7263","10.1021/ja990436i","","","1.54178","CuKα","","","0.0781","","","0.1087","","","","","0.976","0.976","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116487","9.751","0.001","12.457","0.001","10.542","0.001","90","","110.63","0.01","90","","1198.4","0.2","300","2","300","2","","","","","","","synthetic","5","P 1 21/n 1","-P 2yn","14","","Hexakis(carbonyl)iron(II) undecafluorodiantimonate(V),","","- C6 F22 Fe O6 Sb4 -","- C6 F22 Fe O6 Sb4 -","- C12 F44 Fe2 O12 Sb8 -","2","0.5","","Eduard Bernhardt; Bianca Bley; Rudolf Wartchow; Helge Willner; Eckhard Bill; Peter Kuhn; Iona H. T. Sham; Matthias Bodenbinder; Raimund Bröchler; Friedhelm Aubke","Hexakis(carbonyl)iron(II) Undecafluorodiantimonate(V), [Fe(CO)6][Sb2F11]2, and -Hexafluoroantimonate(V), [Fe(CO)6][SbF6]2, Their Syntheses, and Spectroscopic and Structural Characterization by Single Crystal X-ray Diffraction and Normal Coordinate Analysis","Journal of the American Chemical Society","1999","121","","7188","7200","10.1021/ja990958y","","","0.71073","MoKα","","0.0585","0.0282","","0.0532","","0.0483","","","0.843","","","0.958","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116488","8.258","0.001","8.258","0.001","12.471","0.002","90","","90","","90","","850.5","0.2","300","2","300","2","","","","","","","synthetic","5","P 4/m n c","-P 4 2n","128","","Hexakis(carbonyl)iron(II) hexafluoroantimonate(V),","","- C6 F12 Fe O6 Sb2 -","- C6 F12 Fe O6 Sb2 -","- C12 F24 Fe2 O12 Sb4 -","2","0.125","","Eduard Bernhardt; Bianca Bley; Rudolf Wartchow; Helge Willner; Eckhard Bill; Peter Kuhn; Iona H. T. Sham; Matthias Bodenbinder; Raimund Bröchler; Friedhelm Aubke","Hexakis(carbonyl)iron(II) Undecafluorodiantimonate(V), [Fe(CO)6][Sb2F11]2, and -Hexafluoroantimonate(V), [Fe(CO)6][SbF6]2, Their Syntheses, and Spectroscopic and Structural Characterization by Single Crystal X-ray Diffraction and Normal Coordinate Analysis","Journal of the American Chemical Society","1999","121","","7188","7200","10.1021/ja990958y","","","0.71073","MoKα","","0.0377","0.0259","","0.0668","","0.0626","","","1.026","","","1.13","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116489","10.526","0.003","10.774","0.003","10.818","0.005","90","","90","","90","","1226.8","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,5S,S(S))-4-(tert-butylsulfinyl)bicyclo(3.3.0)oct-1-en-3-one","","- C12 H18 O2 S -","- C12 H18 O2 S -","- C48 H72 O8 S4 -","4","1","","Javier Adrio; Juan C. Carretero","The tert-Butylsulfinyl Group as a Highly Efficient Chiral Auxiliary in Asymmetric Pauson-Khand Reactions","Journal of the American Chemical Society","1999","121","","7411","7412","10.1021/ja990546p","","","1.54178","CuKα","","0.0364","0.0353","","0.1055","0.1026","","","","0.586","0.582","0.582","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116490","13.352","0.001","14.035","0.001","20.269","0.002","90","","106.599","0.002","90","","3640","0.5","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 Cd Cl2 N6 O9 Pt -","- C33 H36 Cd Cl2 N6 O9 Pt -","- C132 H144 Cd4 Cl8 N24 O36 Pt4 -","4","1","","Tadashi Yamaguchi; Fumie Yamazaki; Tasuku Ito","The First Examples of Platinum(II)-Cadmium(II) Bonds: The Role of Strong Field Ligands in Making Dative Pt\ρightarrowM Bonds","Journal of the American Chemical Society","1999","121","","7405","7406","10.1021/ja991053n","","","0.7107","MoKα","","0.1093","0.0506","","","","0.1452","","","","","","0.779","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116491","20.966","0.002","11.314","0.001","16.582","0.002","90","","120.944","0.002","90","","3373.6","0.6","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C20 H34 Cd Cl2 N6 O8 Pt -","- C23 H34 Cd Cl2 N6 O9 Pt -","- C92 H136 Cd4 Cl8 N24 O36 Pt4 -","4","1","","Tadashi Yamaguchi; Fumie Yamazaki; Tasuku Ito","The First Examples of Platinum(II)-Cadmium(II) Bonds: The Role of Strong Field Ligands in Making Dative Pt\ρightarrowM Bonds","Journal of the American Chemical Society","1999","121","","7405","7406","10.1021/ja991053n","","","0.7107","MoKα","","0.0615","0.0373","","","","0.0876","","","","","","0.941","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116492","9.108","0.001","10.059","0.001","13.633","0.001","90","","97.023","0.001","90","","1239.6","0.2","150","0.1","150","0.1","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 F6 N2 O2 U2 -","- C4 H6 F6 N2 O4 U2 -","- C16 H24 F24 N8 O16 U8 -","4","0.5","","P. S. Halasyamani; S. M. Walker; D. O'Hare","The First Open Framework Actinide Material (C4N2H12)U2O4F6 (MUF-1)","Journal of the American Chemical Society","1999","121","","7415","7416","10.1021/ja9912271","","","0.71073","MoKα","","0.0403","0.0399","","0.1031","0.1029","","","","1.103","1.103","1.103","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116493","23.282","0.002","16.787","0.002","15.0481","0.0014","90","","90","","90","","5881.3","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Me5CpRe)2[Co2(CO)5]B4H4","","- C25 H34 B4 Co2 O5 Re2 -","- C25 H34 B4 Co2 O5 Re2 -","- C200 H272 B32 Co16 O40 Re16 -","8","1","","Sundargopal Ghosh; Maoyu Shang; Thomas P. Fehlner","A Novel Coordinated Inorganic Benzene: Synthesis and Characterization of {η5-C5Me5Re}2{μ-η6:η6-B4H4Co2(CO)5}","Journal of the American Chemical Society","1999","121","","7451","7452","10.1021/ja991306c","","","0.71073","MoKα","","0.0752","0.0368","","","0.0757","0.0915","","","","","","1","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116494","10.556","0.0007","12.225","0.0007","11.7344","0.0008","90","","105.213","0.002","90","","1461.22","0.16","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Andrew S. Kende; Terrence L. Smalley; He Huang","Total Synthesis of (\±)-Isostemofoline","Journal of the American Chemical Society","1999","121","","7431","7432","10.1021/ja991528a","","","0.71073","MoKα","","0.0866","0.0603","","0.1289","0.1179","","","","1.152","1.211","1.211","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116495","8.962","0.003","11.569","0.002","12.316","0.002","90","","105.48","0.01","90","","1230.6","0.5","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H17 N2 O6.5 V -","- C8 H16 N2 O6.5 V -","- C32 H64 N8 O26 V4 -","4","1","","Kawabe, Kenji; Tadokoro, Makoto; Ichimura, Akio; Kojima, Yoshitane; Takino, Toshikazu; Sakurai, Hiromu","Stereospecific and Structure-Dependent Insulin-Mimetic Oxovanadium(IV) Complexes with N,N'-Ethylenebis(amino acids)","Journal of the American Chemical Society","1999","121","34","7937","7938","10.1021/ja984225+","","","0.7107","MoKα","","0","0","","","0","0.0515","","","","","","1.525","","","","has coordinates","270160","2021-10-29","11:54:26",""
"4116496","7.6043","0.0005","9.049","0.001","6.7747","0.0009","99.2","0.01","102.186","0.008","78.951","0.009","443.75","0.08","296.2","","296.2","","","","","","","","","6","P 1","P 1","1","","","","- C12 H24 N2 O6 S2 V -","- C12 H24 N2 O6 S2 V -","- C12 H24 N2 O6 S2 V -","1","1","","Kawabe, Kenji; Tadokoro, Makoto; Ichimura, Akio; Kojima, Yoshitane; Takino, Toshikazu; Sakurai, Hiromu","Stereospecific and Structure-Dependent Insulin-Mimetic Oxovanadium(IV) Complexes with N,N'-Ethylenebis(amino acids)","Journal of the American Chemical Society","1999","121","34","7937","7938","10.1021/ja984225+","","","1.5418","CuKα","","0.0276","0.0276","","","0.0382","0.0382","","","","","","1.36","","","","has coordinates","270160","2021-10-29","11:54:27",""
"4116497","15.8","0.002","16.424","0.004","8.073","0.002","90","","90","","90","","2094.9","0.8","23","","23","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Cl Ru S2 Ti -","- C80 H108 Cl4 Ru4 S8 Ti4 -","- C80 H108 Cl4 Ru4 S8 Ti4 -","","","","Shin-ichiro Kabashima; Shigeki Kuwata; Masanobu Hidai","Electron-Deficient Early-Late Heterobimetallic Sulfido Clusters. Unusual Reactivities of Ti2Ru2S4 Cubane-Type Clusters with Four Cyclopentadienyl Coligands","Journal of the American Chemical Society","1999","121","","7837","7845","10.1021/ja990034a","","","0.7107","MoKalpha","","","0.028","","","0.022","","","","","2.46","2.46","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116498","16.799","0.001","19.335","0.002","10.035","0.001","90","","90","","90","","3259.5","0.5","296.2","","296.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H40 Ru2 S4 Ti2 -","- C30 H40 Ru2 S4 Ti2 -","- C120 H160 Ru8 S16 Ti8 -","4","0.5","","Shin-ichiro Kabashima; Shigeki Kuwata; Masanobu Hidai","Electron-Deficient Early-Late Heterobimetallic Sulfido Clusters. Unusual Reactivities of Ti2Ru2S4 Cubane-Type Clusters with Four Cyclopentadienyl Coligands","Journal of the American Chemical Society","1999","121","","7837","7845","10.1021/ja990034a","","","0.7107","MoKα","","0","0","","","0","0.024","","","","","","2.704","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116499","20.284","0.004","11.094","0.004","21.909","0.004","90","","105.36","0.02","90","","4754","2","296.2","","296.2","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 F12 N2 O2 P2 Ru2 S4 Ti2 -","- C36 H54 F12 N2 O2 P2 Ru2 S4 Ti2 -","- C144 H216 F48 N8 O8 P8 Ru8 S16 Ti8 -","4","1","","Shin-ichiro Kabashima; Shigeki Kuwata; Masanobu Hidai","Electron-Deficient Early-Late Heterobimetallic Sulfido Clusters. Unusual Reactivities of Ti2Ru2S4 Cubane-Type Clusters with Four Cyclopentadienyl Coligands","Journal of the American Chemical Society","1999","121","","7837","7845","10.1021/ja990034a","","","0.7107","MoKα","","0.046","0.046","","","0.0355","0.0355","","","","","","1.855","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116500","10.398","0.004","18.263","0.005","19.474","0.004","90","","92.55","0.03","90","","3694.4","1.9","296.2","","296.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H42 Cl4 Ru2 S4 Ti2 -","- C31 H42 Cl4 Ru2 S4 Ti2 -","- C124 H168 Cl16 Ru8 S16 Ti8 -","4","1","","Shin-ichiro Kabashima; Shigeki Kuwata; Masanobu Hidai","Electron-Deficient Early-Late Heterobimetallic Sulfido Clusters. Unusual Reactivities of Ti2Ru2S4 Cubane-Type Clusters with Four Cyclopentadienyl Coligands","Journal of the American Chemical Society","1999","121","","7837","7845","10.1021/ja990034a","","","0.7107","MoKα","","0.0478","0.0478","","","0.032","0.032","","","","","","1.632","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116501","9.857","0.002","19.792","0.002","17.774","0.002","90","","91.72","0.01","90","","3466","0.9","296.2","","296.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 Cl5 Ru2 S4 Ti2 -","- C26 H37 Cl5 Ru2 S4 Ti2 -","- C104 H148 Cl20 Ru8 S16 Ti8 -","4","1","","Shin-ichiro Kabashima; Shigeki Kuwata; Masanobu Hidai","Electron-Deficient Early-Late Heterobimetallic Sulfido Clusters. Unusual Reactivities of Ti2Ru2S4 Cubane-Type Clusters with Four Cyclopentadienyl Coligands","Journal of the American Chemical Society","1999","121","","7837","7845","10.1021/ja990034a","","","0.7107","MoKα","","0.0439","0.0439","","","0.0336","0.0336","","","","","","1.602","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116502","20.75","0.001","17.0434","0.0009","17.1877","0.0009","90","","124.79","0.01","90","","4991.9","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H76 Cl2 O4 Si Ti -","- C54 H76 Cl2 O4 Si Ti -","- C216 H304 Cl8 O16 Si4 Ti4 -","4","0.5","","Oleg V. Ozerov; Folami T. Ladipo; Brian O. Patrick","Highly Regioselective Alkyne Cyclotrimerization Catalyzed by Titanium Complexes Supported by Proximally Bridged p-tert-Butylcalix[4]arene Ligands","Journal of the American Chemical Society","1999","121","","7941","7942","10.1021/ja990740b","","","0.71073","MoKα","","0.1549","0.1231","","0.2649","0.2505","","","","1.194","1.258","1.258","","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116503","11.5028","0.0001","12.4083","0.0001","12.4609","0.0002","106.587","0.001","93.1","0.001","116.809","0.001","1486.17","0.04","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H31 B0.5 N0.5 P2 Pd -","- C32.75 H29.5 B0.25 N0.5 P2 Pd -","- C65.5 H59 B0.5 N P4 Pd2 -","2","1","","Robert A. Stockland; Gordon K. Anderson; Nigam P. Rath","Reductive Elimination of Alkanes and Arenes from [Pd2R2(μ-H)(μ-dppm)2]PF6 Complexes","Journal of the American Chemical Society","1999","121","","7945","7946","10.1021/ja990815b","","","0.71073","MoKα","","0.0689","0.0436","","0.1445","0.1181","","","","1.069","1.145","1.145","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116504","11.7906","0.0014","12.4046","0.001","23.7952","0.0018","90","0.006","90","0.008","90","0.008","3480.2","0.6","293","2","293","2","","","","","","","synthesized","6","P 21 21 21","P 2ac 2ab","19","none","Zinc(II)-2-devinyl-2-carboximinopyropheophorbide a methyl ester chloroform solvate","","- C34 H34 Cl3 N5 O4 Zn -","- C34 H34 Cl3 N5 O4 Zn -","- C136 H136 Cl12 N20 O16 Zn4 -","4","1","","Spencer Knapp; Buwen Huang; Thomas J. Emge; Suzie Sheng; Karsten Krogh-Jespersen; Joseph A. Potenza; Harvey J. Schugar","A Pyropheophorbide Dimer with Single Pyrrole π Overlap and a Low-Energy Q Absorption","Journal of the American Chemical Society","1999","121","","7977","7978","10.1021/ja991632s","","","1.54184","CuKα","","0.0766","0.0646","","","0.1569","0.163","","","","","","1.002","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116505","17.876","0.001","10.73","0.001","37.935","0.002","90","","96.75","0.01","90","","7225.9","0.9","110","1","110","1","","","","","","","Synthesized in the laboratory of Mark S. Meier","3","P 1 21/c 1","-P 2ybc","14","","7,8-dichloromethanohomo70-fullerene","","- C73.61 H5.78 Cl2 -","- C73.612 H5.776 Cl2 -","- C588.896 H46.208 Cl16 -","8","2","","Andrew F. Kiely; Robert C. Haddon; Mark S. Meier; John P. Selegue; Carolyn Pratt Brock; Brian O. Patrick; Guan-Wu Wang; Yongsheng Chen","The First Structurally Characterized Homofullerene (Fulleroid)","Journal of the American Chemical Society","1999","121","","7971","7972","10.1021/ja991692y","","","0.71073","MoKα","","0.175","0.089","","0.144","0.126","","","","1.1","1.25","1.25","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116506","8.3256","0.0009","20.008","0.002","21.468","0.002","90","","93.725","0.01","90","","3568.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H45 B2 N10 Sm -","- C33.5 H41 B2 N10 Sm -","- C134 H164 B8 N40 Sm4 -","4","1","","I. Lopes; G. Y. Lin; A. Domingos; R. McDonald; N. Marques; J. Takats","Unprecedented Transformation of a Hydrotris(pyrazolyl)borate Ligand at a Metal Center: Synthesis and Rearrangement of the First Mixed Tp/Cp Lanthanide Complex, Sm(TpMe2)2(Cp)","Journal of the American Chemical Society","1999","121","","8110","8111","10.1021/ja984227u","","","0.71073","MoKα","","0.1151","0.0653","","0.2281","0.136","","","","1.106","1.117","1.117","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116507","9.8344","0.0011","15.8217","0.0016","18.058","0.002","103.464","0.002","106.315","0.002","90.169","0.002","2615.5","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H67 B2 N12 Sm -","- C53 H67 B2 N12 Sm -","- C106 H134 B4 N24 Sm2 -","2","1","","I. Lopes; G. Y. Lin; A. Domingos; R. McDonald; N. Marques; J. Takats","Unprecedented Transformation of a Hydrotris(pyrazolyl)borate Ligand at a Metal Center: Synthesis and Rearrangement of the First Mixed Tp/Cp Lanthanide Complex, Sm(TpMe2)2(Cp)","Journal of the American Chemical Society","1999","121","","8110","8111","10.1021/ja984227u","","","0.71073","MoKα","","0.1089","0.0675","","","0.1446","0.1636","","","","","","0.936","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116508","16.7314","0.0002","17.3877","0.0003","46.0307","0.0006","90","","90","","90","","13391.3","0.3","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","o-Cl-HABI","","","- C42 H28 Cl2 N4 -","- C42 H28 Cl2 N4 -","- C672 H448 Cl32 N64 -","16","2","","Masaki Kawano; Tomokatsu Sano; Jiro Abe; Yuji Ohashi","The First in Situ Direct Observation of the Light-Induced Radical Pair from a Hexaarylbiimidazolyl Derivative by X-ray Crystallography","Journal of the American Chemical Society","1999","121","","8106","8107","10.1021/ja9903173","","","0.71073","MoKα","","0.0622","0.0409","","","0.0924","0.101","","","","","","1.005","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116509","16.6975","0.0003","17.3715","0.0003","45.9434","0.0003","90","","90","","90","","13326.4","0.3","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","o-Cl-HABI & lophine radical","","","- C42 H28 Cl2 N4 -","- C42 H28 Cl2 N4 -","- C672 H448 Cl32 N64 -","16","2","","Masaki Kawano; Tomokatsu Sano; Jiro Abe; Yuji Ohashi","The First in Situ Direct Observation of the Light-Induced Radical Pair from a Hexaarylbiimidazolyl Derivative by X-ray Crystallography","Journal of the American Chemical Society","1999","121","","8106","8107","10.1021/ja9903173","","","0.71073","MoKα","","0.0795","0.0535","","","0.1117","0.121","","","","","","1.08","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116510","11.647","0.004","11.986","0.003","12.047","0.006","103.25","0.03","106.01","0.03","109.91","0.02","1419.5","1.1","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 N3 Ni O2 S10 -","- C20 H21 N3 Ni O2 S10 -","- C40 H42 N6 Ni2 O4 S20 -","2","1","","Hiroyuki Imai; Takeo Otsuka; Toshio Naito; Kunio Awaga; Tamotsu Inabe","M(dmit)2 Salts with Nitronyl Nitroxide Radical Cations (M = Ni and Au, dmit = 1,3-Dithiol-2-thione-4,5-dithiolate). Nonmagnetic Single-Chain Formation vs Antiferromagnetic Spin-Ladder-Chain Formation of M(dmit)2","Journal of the American Chemical Society","1999","121","","8098","8103","10.1021/ja991058k","","","0.71073","MoKα","","","0.045","","","0.048","","","","","1.453","1.453","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116511","14.42","0.005","16.544","0.004","12.741","0.003","92.71","0.02","100.13","0.02","103.61","0.02","2895.6","1.4","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 Au N3 O2 S10 -","- C20 H21 Au0.75 N3 O2 S10 -","- C80 H84 Au3 N12 O8 S40 -","4","2","","Hiroyuki Imai; Takeo Otsuka; Toshio Naito; Kunio Awaga; Tamotsu Inabe","M(dmit)2 Salts with Nitronyl Nitroxide Radical Cations (M = Ni and Au, dmit = 1,3-Dithiol-2-thione-4,5-dithiolate). Nonmagnetic Single-Chain Formation vs Antiferromagnetic Spin-Ladder-Chain Formation of M(dmit)2","Journal of the American Chemical Society","1999","121","","8098","8103","10.1021/ja991058k","","","0.7107","MoKα","","0","0.082","","","0","0.0577","","","","","","3.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116512","13.6792","0.0006","14.7758","0.0007","20.9824","0.0012","90","","90","","90","","4241","0.4","220","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H74 N2 P6 Ru2 Si2 -","- C24 H74 N2 P6 Ru2 Si2 -","- C96 H296 N8 P24 Ru8 Si8 -","4","0.5","","Vladimir K. Dioumaev; Karl Plössl; Patrick J. Carroll; Donald H. Berry","Formation and Interconversion of Ruthenium-Silene and 16-Electron Ruthenium Silyl Complexes","Journal of the American Chemical Society","1999","121","","8391","8392","10.1021/ja984363z","","","0.7107","MoKα","","0.0512","0.048","","0.109","0.1069","","","","1.108","1.118","1.118","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116513","27.086","0.005","15.533","0.003","14.207","0.003","90","","104.31","0.03","90","","5792","2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Zr -","- C36 H40 Zr -","- C288 H320 Zr8 -","8","1","","Paul-Michael Pellny; Frank G. Kirchbauer; Vladimir V. Burlakov; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal","Reactivity of Permethylzirconocene and Permethyltitanocene toward Disubstituted 1,3-Butadiynes: η4- vs η2-Complexation or C-C Coupling with the Permethyltitanocene","Journal of the American Chemical Society","1999","121","","8313","8323","10.1021/ja991046z","","","0.71073","MoKα","","0.063","0.0326","","0.0801","0.0744","","","","0.919","1.116","1.116","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116514","10.595","0.002","18.22","0.004","15.891","0.003","90","","94.5","0.03","90","","3058.2","1.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Si2 Zr -","- C30 H48 Si2 Zr -","- C120 H192 Si8 Zr4 -","4","1","","Paul-Michael Pellny; Frank G. Kirchbauer; Vladimir V. Burlakov; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal","Reactivity of Permethylzirconocene and Permethyltitanocene toward Disubstituted 1,3-Butadiynes: η4- vs η2-Complexation or C-C Coupling with the Permethyltitanocene","Journal of the American Chemical Society","1999","121","","8313","8323","10.1021/ja991046z","","","0.71073","MoKα","","0.0653","0.049","","0.1348","0.1266","","","","1.057","1.128","1.128","","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116515","11.237","0.002","11.534","0.002","13.691","0.003","76.36","0.03","67.09","0.03","74.46","0.03","1557.3","0.6","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H48 Si2 Ti -","- C30 H48 Si2 Ti -","- C60 H96 Si4 Ti2 -","2","1","","Paul-Michael Pellny; Frank G. Kirchbauer; Vladimir V. Burlakov; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal","Reactivity of Permethylzirconocene and Permethyltitanocene toward Disubstituted 1,3-Butadiynes: η4- vs η2-Complexation or C-C Coupling with the Permethyltitanocene","Journal of the American Chemical Society","1999","121","","8313","8323","10.1021/ja991046z","","","0.71073","MoKα","","0.0564","0.0442","","0.1355","0.128","","","","0.999","1.067","1.067","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116516","26.632","0.005","8.931","0.002","25.953","0.005","90","","109.16","0.03","90","","5831","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Ti -","- C36 H40 Ti -","- C288 H320 Ti8 -","8","2","","Paul-Michael Pellny; Frank G. Kirchbauer; Vladimir V. Burlakov; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal","Reactivity of Permethylzirconocene and Permethyltitanocene toward Disubstituted 1,3-Butadiynes: η4- vs η2-Complexation or C-C Coupling with the Permethyltitanocene","Journal of the American Chemical Society","1999","121","","8313","8323","10.1021/ja991046z","","","0.71073","MoKα","","0.0831","0.0461","","0.1108","0.1023","","","","0.861","1.051","1.051","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116517","17.064","0.003","8.838","0.002","21.308","0.004","90","","107.7","0.03","90","","3061.4","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H40 O2 Ti -","- C37 H40 O2 Ti -","- C148 H160 O8 Ti4 -","4","1","","Paul-Michael Pellny; Frank G. Kirchbauer; Vladimir V. Burlakov; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal","Reactivity of Permethylzirconocene and Permethyltitanocene toward Disubstituted 1,3-Butadiynes: η4- vs η2-Complexation or C-C Coupling with the Permethyltitanocene","Journal of the American Chemical Society","1999","121","","8313","8323","10.1021/ja991046z","","","0.71073","MoKα","","0.0983","0.0452","","0.0998","0.0885","","","","0.817","1.053","1.053","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116518","17.104","0.003","17.173","0.003","48.17","0.01","90","","90","","90","","14149","5","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C32 H48 O4 Si2 Zr -","- C32 H48 O4 Si2 Zr -","- C512 H768 O64 Si32 Zr16 -","16","0.5","","Paul-Michael Pellny; Frank G. Kirchbauer; Vladimir V. Burlakov; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal","Reactivity of Permethylzirconocene and Permethyltitanocene toward Disubstituted 1,3-Butadiynes: η4- vs η2-Complexation or C-C Coupling with the Permethyltitanocene","Journal of the American Chemical Society","1999","121","","8313","8323","10.1021/ja991046z","","","0.71073","MoKα","","0.0458","0.0345","","0.0925","0.0886","","","","0.976","1.054","1.054","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116519","10.567","0.002","12.213","0.002","13.991","0.003","92.07","0.03","100.15","0.03","114.87","0.03","1600.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H48 O2 Si2 Ti -","- C31 H48 O2 Si2 Ti -","- C62 H96 O4 Si4 Ti2 -","2","1","","Paul-Michael Pellny; Frank G. Kirchbauer; Vladimir V. Burlakov; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal","Reactivity of Permethylzirconocene and Permethyltitanocene toward Disubstituted 1,3-Butadiynes: η4- vs η2-Complexation or C-C Coupling with the Permethyltitanocene","Journal of the American Chemical Society","1999","121","","8313","8323","10.1021/ja991046z","","","0.71073","MoKα","","0.0499","0.0403","","0.1269","0.1171","","","","1.082","1.109","1.109","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116520","31.235","0.004","10.637","0.001","8.579","0.003","90","","90","","90","","2850.3","1.1","132","","132","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1572","0.0631","","0.0919","","0.0696","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116521","31.263","0.004","10.668","0.001","8.604","0.004","90","","90","","90","","2869.6","1.4","175","","175","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1705","0.0673","","0.0978","","0.0717","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116522","31.276","0.003","10.687","0.001","8.62","0.003","90","","90","","90","","2881.2","1.1","190","","132","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1891","0.0746","","0.1027","","0.0781","","","","","","1.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116523","31.284","0.002","10.702","0.0006","8.629","0.002","90","","90","","90","","2889","0.7","204","","132","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.222","0.0809","","0.113","","0.0852","","","","","","1.314","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116524","31.292","0.002","10.7148","0.0006","8.637","0.002","90","","90","","90","","2895.9","0.7","219","","219","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1829","0.0677","","0.0911","","0.0705","","","","","","1.223","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116525","31.317","0.002","10.7471","0.0007","8.66","0.002","90","","90","","90","","2914.7","0.7","250","","250","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.2061","0.0779","","0.1123","","0.0849","","","","","","1.221","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116526","31.333","0.002","10.7715","0.0007","8.677","0.002","90","","90","","90","","2928.5","0.7","273","","273","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1434","0.0606","","0.0819","","0.0669","","","","","","1.406","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116527","31.378","0.002","10.8387","0.0006","8.714","0.002","90","","90","","90","","2963.6","0.7","324","","324","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1657","0.0611","","0.0836","","0.0659","","","","","","1.376","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116528","9.42","0.003","12.022","0.004","18.224","0.003","73.26","0.018","82.468","0.02","74.29","0.03","1899.4","1","295.2","","295","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H46 N2 -","- C46 H37 N2 -","- C92 H74 N4 -","2","1","","Joshua J. Pak; Timothy J. R. Weakley; Michael M. Haley","Stepwise Assembly of Site Specifically Functionalized Dehydrobenzo[18]annulenes","Journal of the American Chemical Society","1999","121","","8182","8192","10.1021/ja991749g","","","0.71073","MoKα","","0.21","0.096","","0.099","","0.093","","","2.28","","","3.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116529","10.023","0.001","13.922","0.002","16.577","0.002","74.555","0.009","86.062","0.009","79.597","0.01","2192.5","0.5","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H46 Cl2 N4 O4 -","- C47 H46 Cl2 N4 O4 -","- C94 H92 Cl4 N8 O8 -","2","1","","Joshua J. Pak; Timothy J. R. Weakley; Michael M. Haley","Stepwise Assembly of Site Specifically Functionalized Dehydrobenzo[18]annulenes","Journal of the American Chemical Society","1999","121","","8182","8192","10.1021/ja991749g","","","0.71073","MoKα","","","0.1011","","","0.0534","","","","","1.69","1.69","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116530","9.7761","0.001","31.232","0.004","10.954","0.003","90","","114.464","0.014","90","","3044.3","1","294","","294","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C38 H28 N2 O2 -","- C38 H28 N2 O2 -","- C152 H112 N8 O8 -","4","1","","Joshua J. Pak; Timothy J. R. Weakley; Michael M. Haley","Stepwise Assembly of Site Specifically Functionalized Dehydrobenzo[18]annulenes","Journal of the American Chemical Society","1999","121","","8182","8192","10.1021/ja991749g","","","0.71073","MoKα","","0.079","0.053","","0.098","","0.045","","","1.26","","","1.27","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116531","10.7692","0.0018","11.4492","0.0029","14.3082","0.0017","70.552","0.016","78.929","0.012","64.781","0.017","1502.4","0.5","273","","273","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H28 N2 O2 -","- C38 H28 N2 O2 -","- C76 H56 N4 O4 -","2","1","","Joshua J. Pak; Timothy J. R. Weakley; Michael M. Haley","Stepwise Assembly of Site Specifically Functionalized Dehydrobenzo[18]annulenes","Journal of the American Chemical Society","1999","121","","8182","8192","10.1021/ja991749g","","","0.71073","MoKα","","0.316","0.147","","0.082","","0.067","","","1.17","","","1.37","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116532","33.401","0.007","33.401","0.007","9.241","0.004","90","","90","","120","","8928","5","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","ZnDachPO","zinc(1,2-diaminocyclohexane)phosphate","","- C6 H21 N2 O14 P3 Zn3 -","- C6 H21 N2 O14 P3 Zn3 -","- C108 H378 N36 O252 P54 Zn54 -","18","1","","Guo-Yu Yang; Slavi C. Sevov","Zinc Phosphate with Gigantic Pores of 24 Tetrahedra","Journal of the American Chemical Society","1999","121","","8389","8390","10.1021/ja991985r","","","0.71073","MoKα","","0.0704","0.0523","","","0.1471","0.1592","","","","","","1.101","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116533","16.6797","0.0008","14.6412","0.0007","21.2925","0.001","90","","112.26","0.001","90","","4812.3","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H76 Na14 O110 P2 U2 W18 -","- Na12.8 O110 P2 U2 W18 -","- Na25.6 O220 P4 U4 W36 -","2","0.5","","Kee-Chan Kim; Michael T. Pope","Cation-Directed Structure Changes in Polyoxometalate Chemistry. Equilibria between Isomers of Bis(9-tungstophosphatodioxouranate(VI)) Complexes","Journal of the American Chemical Society","1999","121","","8512","8517","10.1021/ja9909125","","","0.71073","MoKα","","0.061","0.0549","","","0.1407","0.1458","","","","","","1.156","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116534","12.601","0.0017","20.175","0.003","35.124","0.008","90","","99.056","0.019","90","","8818","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- H94 N14 O91 P2 U2 W18 -","- O105 P2 U2 W18 -","- O420 P8 U8 W72 -","4","1","","Kee-Chan Kim; Michael T. Pope","Cation-Directed Structure Changes in Polyoxometalate Chemistry. Equilibria between Isomers of Bis(9-tungstophosphatodioxouranate(VI)) Complexes","Journal of the American Chemical Society","1999","121","","8512","8517","10.1021/ja9909125","","","0.71073","MoKα","","0.0839","0.0563","","","0.1346","0.1449","","","","","","1.069","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116535","11.3537","0.0014","15.0288","0.0018","15.6424","0.0018","90","","104.358","0.002","90","","2585.7","0.5","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1,2-bis(2-methyl-6-nitro-1-benzothiophen-3-yl)perfluorocyclopentene (2a-b)","3-(3,3,4,4,5,5-hexafluoro-2-(2-methyl-6-nitrobenzo[b]thiophen-3- yl)cyclopent-1-enyl)-2-methyl-6-nitrobenzo[b]thiophene","","- C26 H18 F6 N2 O5 S2 -","- C26 H18 F6 N2 O5 S2 -","- C104 H72 F24 N8 O20 S8 -","4","1","","Seiya Kobatake; Motoki Yamada; Taro Yamada; Masahiro Irie","Photochromism of 1,2-Bis(2-methyl-6-nitro-1-benzothiophen-3-yl)perfluorocyclopentene in a Single-Crystalline Phase: Dichroism of the Closed-Ring Form Isomer","Journal of the American Chemical Society","1999","121","","8450","8456","10.1021/ja991013j","","","0.71073","MoKα","","0.1014","0.0852","","","0.2403","0.2498","","","","","","1.154","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116536","9.9409","0.0017","15.748","0.003","14.492","0.003","90","","100.297","0.004","90","","2232.2","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1,2-bis(2-methyl-6-nitro-1-benzothiophen-3-yl)perfluorocyclopentene (2a-a)","3-(3,3,4,4,5,5-hexafluoro-2-(2-methyl-6-nitrobenzo[b]thiophen-3- yl)cyclopent-1-enyl)-2-methyl-6-nitrobenzo[b]thiophene","","- C23 H12 F6 N2 O4 S2 -","- C23 H12 F6 N2 O4 S2 -","- C92 H48 F24 N8 O16 S8 -","4","1","","Seiya Kobatake; Motoki Yamada; Taro Yamada; Masahiro Irie","Photochromism of 1,2-Bis(2-methyl-6-nitro-1-benzothiophen-3-yl)perfluorocyclopentene in a Single-Crystalline Phase: Dichroism of the Closed-Ring Form Isomer","Journal of the American Chemical Society","1999","121","","8450","8456","10.1021/ja991013j","","","0.71073","MoKα","","0.0571","0.0413","","","0.1248","0.132","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116537","11.597","0.0009","13.085","0.0011","14.2697","0.0011","83.585","0.001","80.643","0.001","87.451","0.001","2122.4","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","(2b)","3,3,4,4,5,5-hexafluoro-15,16-dimethyl-11,20-dinitro-14,17-dithiahexacyclo[14.7.0.0^2,6^.0^7,15^.0^8,13^.0^18,23^]tricosa-1(2),6(7),8(9),10,12,18(19),20,22-octaene","","- C23 H12 F6 N2 O4 S2 -","- C23 H12 F6 N2 O4 S2 -","- C92 H48 F24 N8 O16 S8 -","4","2","","Seiya Kobatake; Motoki Yamada; Taro Yamada; Masahiro Irie","Photochromism of 1,2-Bis(2-methyl-6-nitro-1-benzothiophen-3-yl)perfluorocyclopentene in a Single-Crystalline Phase: Dichroism of the Closed-Ring Form Isomer","Journal of the American Chemical Society","1999","121","","8450","8456","10.1021/ja991013j","","","0.71073","MoKα","","0.0706","0.0416","","","0.0996","0.1145","","","","","","1.01","","","","has coordinates","211399","2020-10-21","18:00:00",""
"4116538","13.4685","0.0007","13.7905","0.0007","19.4425","0.001","106.512","0.001","92.157","0.001","94.53","0.001","3444.6","0.3","158","2","158","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H61 B11 Br6 Fe N4 -","- C72 H61 B11 Br6 Fe N4 -","- C144 H122 B22 Br12 Fe2 N8 -","2","1","","Daniel R. Evans; Nathanael L. P. Fackler; Zuowei Xie; Clifton E. F. Rickard; Peter D. W. Boyd; Christopher A. Reed","π-Arene/Cation Structure and Bonding. Solvation versus Ligand Binding in Iron(III) Tetraphenylporphyrin Complexes of Benzene, Toluene, p-Xylene, and [60]Fullerene","Journal of the American Chemical Society","1999","121","","8466","8474","10.1021/ja9910816","","","0.71073","MoKα","","0.108","0.0565","","0.1083","0.0882","","","","1.034","1.132","1.132","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116539","13.6005","0.0007","14.6761","0.0007","15.9556","0.0008","68.142","0.001","82.499","0.001","75.838","0.001","2863.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H50 Al B F20 N2 -","- C60 H50 Al B F20 N2 -","- C120 H100 Al2 B2 F40 N4 -","2","1","","Catherine E. Radzewich; Ilia A. Guzei; Richard F. Jordan","Three-Coordinate Cationic Aluminum Alkyl Complexes Incorporating β-Diketiminate Ligands","Journal of the American Chemical Society","1999","121","","8673","8674","10.1021/ja991759h","","","0.71073","MoKα","","0.0614","0.0374","","","0.0936","0.1019","","","","","","1.033","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116540","14.07","0.0007","16.6044","0.0009","20.3608","0.0011","99.262","0.001","92.093","0.001","98.103","0.001","4639.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H47 Al B F15 N2 -","- C49 H47 Al B F15 N2 -","- C196 H188 Al4 B4 F60 N8 -","4","2","","Catherine E. Radzewich; Ilia A. Guzei; Richard F. Jordan","Three-Coordinate Cationic Aluminum Alkyl Complexes Incorporating β-Diketiminate Ligands","Journal of the American Chemical Society","1999","121","","8673","8674","10.1021/ja991759h","","","0.71073","MoKα","","0.0625","0.0368","","","0.0898","0.0984","","","","","","1.033","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116541","14.569","0.002","15.0986","0.0014","14.554","0.002","90","","113.14","0.012","90","","2943.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 Cl2 Fe N4 -","- C29 H34 Cl2 Fe N4 -","- C116 H136 Cl8 Fe4 N16 -","4","1","","George J. P. Britovsek; Michael Bruce; Vernon C. Gibson; Brian S. Kimberley; Peter J. Maddox; Sergio Mastroianni; Stuart J. McTavish; Carl Redshaw; Gregory A. Solan; Staffan Strömberg; Andrew J. P. White; David J. Williams","Iron and Cobalt Ethylene Polymerization Catalysts Bearing 2,6-Bis(Imino)Pyridyl Ligands: Synthesis, Structures, and Polymerization Studies","Journal of the American Chemical Society","1999","121","","8728","8740","10.1021/ja990449w","","","1.54178","CuKα","","0.1332","0.0685","","0.1801","0.1442","","","","1.028","1.142","1.142","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116542","14.536","0.002","15.273","0.003","14.676","0.002","90","","112.409","0.013","90","","3012.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 Br2 Fe N4 -","- C29 H34 Br2 Fe N4 -","- C116 H136 Br8 Fe4 N16 -","4","1","","George J. P. Britovsek; Michael Bruce; Vernon C. Gibson; Brian S. Kimberley; Peter J. Maddox; Sergio Mastroianni; Stuart J. McTavish; Carl Redshaw; Gregory A. Solan; Staffan Strömberg; Andrew J. P. White; David J. Williams","Iron and Cobalt Ethylene Polymerization Catalysts Bearing 2,6-Bis(Imino)Pyridyl Ligands: Synthesis, Structures, and Polymerization Studies","Journal of the American Chemical Society","1999","121","","8728","8740","10.1021/ja990449w","","","1.54178","CuKα","","0.1172","0.0592","","0.1451","0.118","","","","1.021","1.116","1.116","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116543","8.7484","0.0012","9.8655","0.0012","20.97","0.003","84.137","0.012","88.233","0.011","65.676","0.009","1640.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H44 Cl2 Co N3 O0.5 -","- C33 H43 Cl2 Co N3 O0.5 -","- C66 H86 Cl4 Co2 N6 O -","2","1","","George J. P. Britovsek; Michael Bruce; Vernon C. Gibson; Brian S. Kimberley; Peter J. Maddox; Sergio Mastroianni; Stuart J. McTavish; Carl Redshaw; Gregory A. Solan; Staffan Strömberg; Andrew J. P. White; David J. Williams","Iron and Cobalt Ethylene Polymerization Catalysts Bearing 2,6-Bis(Imino)Pyridyl Ligands: Synthesis, Structures, and Polymerization Studies","Journal of the American Chemical Society","1999","121","","8728","8740","10.1021/ja990449w","","","0.71073","MoKα","","0.089","0.0506","","0.1163","0.0991","","","","1.012","1.079","1.079","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116544","14.3725","0.0002","26.2888","0.0001","26.5749","0.0004","73.468","0.001","76.193","0.001","84.178","0.001","9341.7","0.2","173","2","173","2","","","","","","","Prof. R. Beer - Columbia University","8","P -1","-P 1","2","96092","","","- C108 H229 N7 Nb2 O80 P2 W22 Zr -","- C108 H229 N7 Nb2 O80 P2 W22 Zr -","- C216 H458 N14 Nb4 O160 P4 W44 Zr2 -","2","1","","Emil V. Radkov; Victor G. Young; Robert H. Beer","A Polyoxometalate Transfer Reagent: Synthesis, Structure, and Reactivity of Zirconocene Polyoxometalate [(PNbW11O40)2ZrCp2]6-","Journal of the American Chemical Society","1999","121","","8953","8954","10.1021/ja9905039","","","0.71073","MoKα","","0.1019","0.0818","","0.1783","0.1622","","","","1.132","1.161","1.161","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116545","12.2029","0.0015","7.5521","0.0012","25.833","0.003","90","0.015","98.344","0.012","90","0.011","2355.5","0.6","293","2","293","2","","","","","","","synthesis","3","P 1 21/n 1","-P 2yn","14","","4'',3'''-dimethyl-2,2':5,2'':5'',2''':5''',2'''':5'''',2'''''.- sexithiophene","","- C26 H18 S6 -","- C26 H18 S6 -","- C104 H72 S24 -","4","1","","Giovanna Barbarella; Massimo Zambianchi; Luciano Antolini; Paolo Ostoja; Piera Maccagnani; Alessandro Bongini; Elisabeth A. Marseglia; Emilio Tedesco; Giuseppe Gigli; Roberto Cingolani","Solid-State Conformation, Molecular Packing, and Electrical and Optical Properties of Processable β-Methylated Sexithiophenes","Journal of the American Chemical Society","1999","121","","8920","8926","10.1021/ja9916512","","","0.71069","MoKα","","0.1143","0.0629","","0.2011","0.1576","","","","1.032","1.083","1.083","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116546","42.629","0.003","7.7776","0.0005","7.8672","0.0009","90","0.008","98.036","0.007","90","0.007","2582.8","0.4","293","2","293","2","","","","","","","synthesis","3","C 1 2/c 1","-C 2yc","15","","4',3'',4''',3''''-tetramethyl-2,2':5,2'':5'',2''':5''',2'''':5'''',2'''''.- sexithiophene (monoclinic form)","","- C28 H22 S6 -","- C28 H22 S6 -","- C112 H88 S24 -","4","0.5","","Giovanna Barbarella; Massimo Zambianchi; Luciano Antolini; Paolo Ostoja; Piera Maccagnani; Alessandro Bongini; Elisabeth A. Marseglia; Emilio Tedesco; Giuseppe Gigli; Roberto Cingolani","Solid-State Conformation, Molecular Packing, and Electrical and Optical Properties of Processable β-Methylated Sexithiophenes","Journal of the American Chemical Society","1999","121","","8920","8926","10.1021/ja9916512","","","0.71069","MoKα","","0.0695","0.0479","","0.1632","0.1244","","","","1.053","1.052","1.052","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116547","7.595","0.002","7.68","0.002","11.438","0.003","99.47","0.02","91.62","0.02","107.08","0.02","627","0.3","293","2","293","2","","","","","","","synthesis","3","P -1","-P 1","2","","4',3'',4''',3''''-tetramethyl-2,2':5,2'':5'',2''':5''',2'''':5'''',2'''''.- sexithiophene (triclinic form) ?","","- C28 H22 S6 -","- C28 H22 S6 -","- C28 H22 S6 -","1","0.5","","Giovanna Barbarella; Massimo Zambianchi; Luciano Antolini; Paolo Ostoja; Piera Maccagnani; Alessandro Bongini; Elisabeth A. Marseglia; Emilio Tedesco; Giuseppe Gigli; Roberto Cingolani","Solid-State Conformation, Molecular Packing, and Electrical and Optical Properties of Processable β-Methylated Sexithiophenes","Journal of the American Chemical Society","1999","121","","8920","8926","10.1021/ja9916512","","","0.71069","MoKα","","0.0511","0.0388","","0.1165","0.0957","","","","1.053","1.072","1.072","","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4116548","16.037","0.005","24.02","0.006","17.81","0.003","90","","94.74","0.02","90","","6837","3","299.2","","299.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C144 H156 Cl12 N12 O2 -","- C144 H156 Cl12 N12 O2 -","- C288 H312 Cl24 N24 O4 -","2","0.5","","Jun-ichiro Setsune; Yasuyuki Katakami; Noriko Iizuna","[48]Dodecaphyrin-(1.0.1.0.1.0.1.0.1.0.1.0) and [64]Hexadecaphyrin-(1.0.1.0.1.0.1.0.1.0.1.0.1.0.1.0): The Largest Cyclopolypyrroles","Journal of the American Chemical Society","1999","121","","8957","8958","10.1021/ja991669c","","","0.7107","MoKα","","","0.087","","","0.064","","","","","2.193","2.193","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116549","37.73","0.02","37.73","0.02","10.323","0.005","90","","90","","120","","12727","11","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","tetra(p-tolyl)porphyrin-Sn-(α-naphthoxy)2","","- C68 H50 N4 O2 Sn -","- C68 H50 N4 O2 Sn -","- C612 H450 N36 O18 Sn9 -","9","0.5","","Shai Nimri; Ehud Keinan","Antibody-Metalloporphyrin Catalytic Assembly Mimics Natural Oxidation Enzymes","Journal of the American Chemical Society","1999","121","","8978","8982","10.1021/ja990314q","","","0.71069","MoKα","","0.2851","0.0951","","","0.1714","0.2501","","","","","","0.962","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116550","33.441","0.004","10.835","0.0017","25.571","0.003","90","","120.65","0.06","90","","7971","5","150","","","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 Cl6 N8 O4 -","- C26 H32 Cl6 N8 O4 -","- C208 H256 Cl48 N64 O32 -","8","1","","Brigitte J. B. Folmer; Rint P. Sijbesma; Huub Kooijman; Anthony L. Spek; E. W. Meijer","Cooperative Dynamics in Duplexes of Stacked Hydrogen-Bonded Moieties","Journal of the American Chemical Society","1999","121","","9001","9007","10.1021/ja991409v","","","0.71073","MoKα","","0.0802","0.0705","","","0.1903","0.1977","","","","","","1.057","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116551","14.2449","0.0015","14.9691","0.0013","16.573","0.0015","111.565","0.007","91.186","0.008","97.456","0.007","3249.8","0.6","153","","","","","","","","","","see text","4","P -1","-P 1","2","","","","- C30 H44 N10 O6 -","- C30 H44 N10 O6 -","- C120 H176 N40 O24 -","4","2","","Brigitte J. B. Folmer; Rint P. Sijbesma; Huub Kooijman; Anthony L. Spek; E. W. Meijer","Cooperative Dynamics in Duplexes of Stacked Hydrogen-Bonded Moieties","Journal of the American Chemical Society","1999","121","","9001","9007","10.1021/ja991409v","","","0.71073","MoKα","","0.1158","0.0625","","","0.1442","0.1717","","","","","","1.01","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116552","13.7165","0.0003","14.8857","0.0002","16.5289","0.0004","104.403","0.001","109.278","0.001","107.093","0.001","2812.42","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","S2N3-TFA","","","- C58 H36 F15 N3 O10 S2 -","- C58 H36 F15 N3 O10 S2 -","- C116 H72 F30 N6 O20 S4 -","2","1","","Seenichamy Jeyaprakash Narayanan; Bashyam Sridevi; Tavarekere K. Chandrashekar; Ashwani Vij; Raja Roy","Novel Core-Modified Expanded Porphyrins with meso-Aryl Substituents: Synthesis, Spectral and Structural Characterization","Journal of the American Chemical Society","1999","121","","9053","9068","10.1021/ja991472k","","","0.71073","MoKα","","0.0931","0.0739","","","0.1784","0.1926","","","","","","1.197","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116553","29.0002","0.0006","15.0991","0.0004","11.9801","0.0003","90","","105.816","0.001","90","","5047.2","0.2","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","S2N4 Rubyrin","","","- C66 H44 N6 S2 -","- C66 H44 N6 S2 -","- C264 H176 N24 S8 -","4","0.5","","Seenichamy Jeyaprakash Narayanan; Bashyam Sridevi; Tavarekere K. Chandrashekar; Ashwani Vij; Raja Roy","Novel Core-Modified Expanded Porphyrins with meso-Aryl Substituents: Synthesis, Spectral and Structural Characterization","Journal of the American Chemical Society","1999","121","","9053","9068","10.1021/ja991472k","","","0.71073","MoKα","","0.0598","0.0444","","","0.1132","0.121","","","","","","1.045","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116554","16.8453","0.0003","17.1105","0.0002","21.2573","0.0003","91.248","0.001","112.815","0.001","90.368","0.001","5645.58","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Se2N4 Rubyrin","","","- C136 H99 N13 O11 Se4 -","- C136 H99 N13 O11 Se4 -","- C272 H198 N26 O22 Se8 -","2","1","","Seenichamy Jeyaprakash Narayanan; Bashyam Sridevi; Tavarekere K. Chandrashekar; Ashwani Vij; Raja Roy","Novel Core-Modified Expanded Porphyrins with meso-Aryl Substituents: Synthesis, Spectral and Structural Characterization","Journal of the American Chemical Society","1999","121","","9053","9068","10.1021/ja991472k","","","0.71073","MoKα","","0.1164","0.0768","","","0.2041","0.2207","","","","","","1.107","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116555","5.9753","0.0001","13.1916","0.0002","26.6852","0.0006","90","","94.272","0.001","90","","2097.58","0.07","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","SeTripyrrane","","","- C26 H22 N2 Se -","- C26 H22 N2 Se -","- C104 H88 N8 Se4 -","4","1","","Seenichamy Jeyaprakash Narayanan; Bashyam Sridevi; Tavarekere K. Chandrashekar; Ashwani Vij; Raja Roy","Novel Core-Modified Expanded Porphyrins with meso-Aryl Substituents: Synthesis, Spectral and Structural Characterization","Journal of the American Chemical Society","1999","121","","9053","9068","10.1021/ja991472k","","","0.71073","MoKα","","0.1007","0.0629","","","0.0903","0.0995","","","","","","1.121","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116556","18.6416","0.0002","18.8457","0.0004","24.151","0.0004","90","","90","","90","","8484.6","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C86 H74 Au4 F12 P6 S2 -","- C86 H74 Au4 F12 P6 S2 -","- C344 H296 Au16 F48 P24 S8 -","4","0.5","","Jinhua Chen; Tong Jiang; Gang Wei; Ahmed A. Mohamed; Craig Homrighausen; Jeanette A. Krause Bauer; Alice E. Bruce; Mitchell R. M. Bruce","Electrochemical and Chemical Oxidation of Gold(I) Thiolate Phosphine Complexes: Formation of Gold Clusters and Disulfide","Journal of the American Chemical Society","1999","121","","9225","9226","10.1021/ja991986j","","","0.71073","MoKα","","0.1492","0.0365","","0.0498","0.0376","","","","0.804","0.985","0.985","","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116557","14.0845","0.0003","13.2873","0.0002","19.6109","0.0003","90","","97.516","0.001","90","","3638.55","0.11","270","2","270","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H66 Au4 F12 O2 P6 S2 -","- C66 H66 Au4 F12 O2 P6 S2 -","- C132 H132 Au8 F24 O4 P12 S4 -","2","0.5","","Jinhua Chen; Tong Jiang; Gang Wei; Ahmed A. Mohamed; Craig Homrighausen; Jeanette A. Krause Bauer; Alice E. Bruce; Mitchell R. M. Bruce","Electrochemical and Chemical Oxidation of Gold(I) Thiolate Phosphine Complexes: Formation of Gold Clusters and Disulfide","Journal of the American Chemical Society","1999","121","","9225","9226","10.1021/ja991986j","","","0.71073","MoKα","","0.0999","0.053","","0.1476","0.1277","","","","1.002","1.135","1.135","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116558","11.0058","0.0008","12.615","0.001","18.518","0.002","101.804","0.009","100.032","0.007","98.682","0.008","2431.3","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Cs4(K-crypt)2[(Ge9)-(Ge9)](en)6","","- C24 H60 Cs2 Ge9 K N8 O6 -","- C24 H60 Cs2 Ge9 K N8 O6 -","- C48 H120 Cs4 Ge18 K2 N16 O12 -","2","1","","Li Xu; Slavi C. Sevov","Oxidative Coupling of Deltahedral [Ge9]4- Zintl Ions","Journal of the American Chemical Society","1999","121","","9245","9246","10.1021/ja992269s","","","0.71073","MoKα","","0.0828","0.0558","","","0.1536","0.1722","","","","","","1.036","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116559","13.2949","0.0005","13.2949","0.0005","61.02","0.003","90","","90","","120","","9340.6","0.7","200","","","","","","","","","","","8","R -3 :H","-R 3","148","","{4,4',4""-[nitrilotris-[2,1-ethanediyl(N-methylcarboxamido)]]tris[2-(6-N,N diethylcarboxamidopyridine)]} Europium(III) tris(trifluoromethanesulfonate)- hexafluorophosphate hemi acetonitrile.","","- C46 H62.5 Eu F15 N10.5 O15 P S3 -","- C46 H61 Eu F15.001 N10.5 O15 P S3 -","- C276 H366 Eu6 F90.006 N63 O90 P6 S18 -","6","0.333333","","Fabien Renaud; Claude Piguet; Gérald Bernardinelli; Jean-Claude Bünzli; Gérard Hopfgartner","Nine-Coordinate Lanthanide Podates with Predetermined Structural and Electronic Properties: Facial Organization of Unsymmetrical Tridentate Binding Units by a Protonated Covalent Tripod","Journal of the American Chemical Society","1999","121","","9326","9342","10.1021/ja990898w","","","1.54183","CuKα","","","0.065","","","","0.062","","","","","","2.687","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116560","10.156","0.001","10.435","0.001","16.845","0.002","83.97","0.02","75.47","0.02","69.06","0.02","1613.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H47 Cu N3 O2 -","- C36 H47 Cu N3 O2 -","- C72 H94 Cu2 N6 O4 -","2","1","","Phalguni Chaudhuri; Martina Hess; Jochen Müller; Knut Hildenbrand; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Aerobic Oxidation of Primary Alcohols (Including Methanol) by Copper(II)- and Zinc(II)-Phenoxyl Radical Catalysts","Journal of the American Chemical Society","1999","121","","9599","9610","10.1021/ja991481t","","","0.71073","MoKα","","0.0716","0.0455","","0.1102","0.1019","","","","0.954","1.04","1.04","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116561","10.173","0.001","10.44","0.001","16.856","0.002","83.95","0.02","75.41","0.02","69.11","0.02","1618.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H47 N3 O2 Zn -","- C36 H47 N3 O2 Zn -","- C72 H94 N6 O4 Zn2 -","2","1","","Phalguni Chaudhuri; Martina Hess; Jochen Müller; Knut Hildenbrand; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Aerobic Oxidation of Primary Alcohols (Including Methanol) by Copper(II)- and Zinc(II)-Phenoxyl Radical Catalysts","Journal of the American Chemical Society","1999","121","","9599","9610","10.1021/ja991481t","","","0.71073","MoKα","","0.0794","0.0483","","0.1214","0.1111","","","","1.04","1.134","1.134","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116562","13.483","0.003","11.304","0.004","16.667","0.002","90","","113.28","0.01","90","","2333.4","1","150.2","","150.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H40 Si5 -","- C16 H40 Si5 -","- C64 H160 Si20 -","4","1","","Mitsuo Kira; Shintaro Ishida; Takeaki Iwamoto; Chizuko Kabuto","The First Isolable Dialkylsilylene","Journal of the American Chemical Society","1999","121","","9722","9723","10.1021/ja9925305","","","0.7107","MoKα","","0.034","0.034","","","0.0359","0.0358","","","","","","2.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116563","9.718","0.002","10.116","0.002","10.318","0.002","77.67","0.02","69.64","0.02","88.51","0.02","927.7","0.4","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H60 Ga K N2 O8 -","- C30 H60 Ga K N2 O8 -","- C30 H60 Ga K N2 O8 -","1","0.5","","Eva S. Schmidt; Alexander Jockisch; Hubert Schmidbaur","A Carbene Analogue with Low-Valent Gallium as a Heteroatom in a quasi-Aromatic Imidazolate Anion","Journal of the American Chemical Society","1999","121","","9758","9759","10.1021/ja9928780","","","0.71073","MoKα","","0.0717","0.0336","","","0.0751","0.0857","","","","","","1.017","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116564","61.445","0.013","10.441","0.001","29.371","0.01","90","","101.45","0.01","90","","18468","8","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H40 Cl2 Ga2 N4 -","- C20 H40 Cl2 Ga2 N4 -","- C560 H1120 Cl56 Ga56 N112 -","28","3.5","","Eva S. Schmidt; Alexander Jockisch; Hubert Schmidbaur","A Carbene Analogue with Low-Valent Gallium as a Heteroatom in a quasi-Aromatic Imidazolate Anion","Journal of the American Chemical Society","1999","121","","9758","9759","10.1021/ja9928780","","","0.71073","MoKα","","0.1172","0.0615","","","0.1286","0.1436","","","","","","1.056","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116565","9.1858","0.0002","11.7879","0.0002","12.4318","0.0002","90","","102.651","0.001","90","","1313.45","0.04","171","2","171","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Heiko Weiner; Richard G. Finke","An All-Inorganic, Polyoxometalate-Based Catechol Dioxygenase That Exhibits > 100000 Catalytic Turnovers","Journal of the American Chemical Society","1999","121","","9831","9842","10.1021/ja991503b","","","0.71073","MoKα","","0.0777","0.051","","0.1285","0.1132","","","","1.01","1.044","1.044","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116566","10.694","0.0008","10.0875","0.0008","11.8878","0.0009","90","","106.054","0.001","90","","1232.39","0.16","162","2","162","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O2 -","- C13 H20 O2 -","- C52 H80 O8 -","4","1","","Heiko Weiner; Richard G. Finke","An All-Inorganic, Polyoxometalate-Based Catechol Dioxygenase That Exhibits > 100000 Catalytic Turnovers","Journal of the American Chemical Society","1999","121","","9831","9842","10.1021/ja991503b","","","0.71073","MoKα","","0.0859","0.0508","","0.1397","0.1215","","","","1.011","1.084","1.084","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116567","9.7459","0.0007","22.702","0.002","12.0229","0.0009","90","","98.142","0.002","90","","2633.3","0.4","165","2","165","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 O4 -","- C28 H40 O4 -","- C112 H160 O16 -","4","1","","Heiko Weiner; Richard G. Finke","An All-Inorganic, Polyoxometalate-Based Catechol Dioxygenase That Exhibits > 100000 Catalytic Turnovers","Journal of the American Chemical Society","1999","121","","9831","9842","10.1021/ja991503b","","","0.71073","MoKα","","0.2233","0.0876","","0.2172","0.153","","","","0.928","1.028","1.028","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116568","10.4909","0.0001","10.0974","0.0002","13.4891","0.0001","90","","103.372","0.002","90","","1390.17","0.03","164","2","164","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Heiko Weiner; Richard G. Finke","An All-Inorganic, Polyoxometalate-Based Catechol Dioxygenase That Exhibits > 100000 Catalytic Turnovers","Journal of the American Chemical Society","1999","121","","9831","9842","10.1021/ja991503b","","","0.71073","MoKα","","0.1194","0.0532","","0.1383","0.1136","","","","0.917","1.057","1.057","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116569","14.9812","0.0003","16.4516","0.0004","19.8007","0.0004","105.631","0.001","92.076","0.001","109.402","0.001","4390.13","0.17","188","2","188","2","","","","","","","","5","P -1","-P 1","2","[Fe(m-O2CArTol)4(4-tBuC5H4N)2]","","","- C108 H100 Fe2 N2 O8 -","- C108 H100 Fe2 N2 O8 -","- C216 H200 Fe4 N4 O16 -","2","1","","Dongwhan Lee; J. Du Bois; Doros Petasis; Michael P. Hendrich; Carsten Krebs; Boi Hanh Huynh; Stephen J. Lippard","Formation of Fe(III)Fe(IV) Species from the Reaction between a Diiron(II) Complex and Dioxygen: Relevance to Ribonucleotide Reductase Intermediate X","Journal of the American Chemical Society","1999","121","","9893","9894","10.1021/ja9923686","","","0.71073","MoKα","","0.1988","0.0645","","","0.146","0.2116","","","","","","0.77","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116570","14.7583","0.0008","14.9097","0.0008","24.8019","0.0014","91.95","0.001","93.961","0.001","110.962","0.001","5074","0.5","188","2","188","2","","","","","","","","6","P -1","-P 1","2","[Fe2(m-OH)2(m-O2CArTol)2(O2CArTol)2(4-tBuC5H4N2)]","","","- C109.5 H96 Cl6.6 Fe2 N2 O10 -","- C109.075 H96 Cl6.762 Fe2 N2 O10 -","- C218.15 H192 Cl13.524 Fe4 N4 O20 -","2","1","","Dongwhan Lee; J. Du Bois; Doros Petasis; Michael P. Hendrich; Carsten Krebs; Boi Hanh Huynh; Stephen J. Lippard","Formation of Fe(III)Fe(IV) Species from the Reaction between a Diiron(II) Complex and Dioxygen: Relevance to Ribonucleotide Reductase Intermediate X","Journal of the American Chemical Society","1999","121","","9893","9894","10.1021/ja9923686","","","0.71073","MoKα","","0.1143","0.0664","","","0.1755","0.2002","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116571","10.536","0.002","20.451","0.004","27.557","0.006","90","","90","","90","","5938","2","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","g-lactam 4","3S-Hydroxy-2R-(1S-hydroxy-2-methyl-propyl)-4R-n-propyl-5- oxo-pyrrolidine-2-carboxylic acid methyl ester","","- C13 H23 N O5 -","- C13 H23 N O5 -","- C208 H368 N16 O80 -","16","4","","François Soucy; Louis Grenier; Mark L. Behnke; Antonia T. Destree; Teresa A. McCormack; Julian Adams; Louis Plamondon","A Novel and Efficient Synthesis of a Highly Active Analogue of clasto-Lactacystin β-Lactone","Journal of the American Chemical Society","1999","121","","9967","9976","10.1021/ja991175f","","","0.71073","MoKα","","0.1156","0.0736","","","0.1714","0.1957","","","","","","1.026","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116572","18.1764","0.0007","24.2486","0.0009","26.3578","0.001","90","","101.013","0.001","90","","11403.3","0.7","293","2","138","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","1","","","- C128 H78 Au2 Cl5.5 N6 O12 P6 Tl -","- C128 H78 Au2 Cl5.5 N6 O12 P6 Tl -","- C512 H312 Au8 Cl22 N24 O48 P24 Tl4 -","4","1","","Vincent J. Catalano; Byron L. Bennett; Heidi M. Kar; Bruce C. Noll","Synthesis and Characterization of Trigonal Gold(I) Cage Complexes: Luminescent Metallocryptates Encapsulating Tl(I) and Na+ Ions","Journal of the American Chemical Society","1999","121","","10235","10236","10.1021/ja991982e","","","0.71073","MoKα","","0.1594","0.0671","","","0.1123","0.1345","","","","","","0.992","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116573","18.4038","0.0018","24.336","0.003","27.089","0.002","90","","101.394","0.006","90","","11893","2","138","2","138","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","2","","","- C125.5 H78 Au2 Cl2 F18 N6 Na O2 P9 -","- C125.5 H78 Au2 Cl2 F18 N6 Na O2 P9 -","- C502 H312 Au8 Cl8 F72 N24 Na4 O8 P36 -","4","1","","Vincent J. Catalano; Byron L. Bennett; Heidi M. Kar; Bruce C. Noll","Synthesis and Characterization of Trigonal Gold(I) Cage Complexes: Luminescent Metallocryptates Encapsulating Tl(I) and Na+ Ions","Journal of the American Chemical Society","1999","121","","10235","10236","10.1021/ja991982e","","","0.71073","MoKα","","0.0974","0.0547","","","0.1349","0.152","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116574","33.03","0.005","15.798","0.003","23.331","0.006","90","","129.357","0.012","90","","9413","4","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","AuMacrocycle","","","- C88 H52 Au2 Cl3 F12 N4 O P6 -","- C88 H52 Au2 Cl3 F12 N4 O P6 -","- C352 H208 Au8 Cl12 F48 N16 O4 P24 -","4","0.5","","Vincent J. Catalano; Byron L. Bennett; Heidi M. Kar; Bruce C. Noll","Synthesis and Characterization of Trigonal Gold(I) Cage Complexes: Luminescent Metallocryptates Encapsulating Tl(I) and Na+ Ions","Journal of the American Chemical Society","1999","121","","10235","10236","10.1021/ja991982e","","","0.71073","MoKα","","0.1517","0.0742","","","0.1688","0.2041","","","","","","1.048","","","","has coordinates,has disorder","286259","2023-09-07","06:04:40",""
"4116575","12.39","0.002","11.8747","0.0008","18.655","0.002","90","","91.79","0.01","90","","2743.3","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","[3,6-di-tert-butyl-9,10-dimethylbicyclo[6.3.0]undec-4-en-(5-1,8- 11-dienyl)][ 3: 4-1,2-dimethyl-3,4- dimethylenecyclopentenyl]titanium(II)","","- C30 H44 Ti -","- C30 H44 Ti -","- C120 H176 Ti4 -","4","1","","Michal Horáček; Petr Štěpnička; Róbert Gyepes; Ivana Císařová; Miroslav Polášek; Karel Mach; Paul-Michael Pellny; Vladimir V. Burlakov; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal","Novel Addition Reactions of 2,2,7,7-Tetramethyl-3,5-octadiyne to the Methyl Groups of a η5-Pentamethylcyclopentadienyl Ligand","Journal of the American Chemical Society","1999","121","","10638","10639","10.1021/ja991299s","","","0.71069","MoKα","","0.0726","0.0409","","","0.1053","0.1175","","","","","","1.032","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116576","11.0367","0.0004","11.0367","0.0004","30.4227","0.0014","90","","90","","120","","3209.3","0.2","188","2","188","2","","","","","","","","4","P 65 2 2","P 65 2 (0 0 1)","179","[Fe(TC-5,5)] (1)","","","- C24 H30 Fe N4 -","- C24 H30 Fe N4 -","- C144 H180 Fe6 N24 -","6","0.5","","Katherine J. Franz; Stephen J. Lippard","NO Disproportionation Reactivity of Fe Tropocoronand Complexes","Journal of the American Chemical Society","1999","121","","10504","10512","10.1021/ja991664f","","","0.71073","MoKα","","0.0879","0.0796","","","0.147","0.1495","","","","","","1.387","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116577","15.4688","0.0002","9.4959","0.0002","18.5944","0.0002","90","","113.551","0.001","90","","2503.83","0.07","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Fe(OTf)(TC-5,5)] (2)","","","- C25 H30 F3 Fe N4 O3 S -","- C25 H30 F3 Fe N4 O3 S -","- C100 H120 F12 Fe4 N16 O12 S4 -","4","1","","Katherine J. Franz; Stephen J. Lippard","NO Disproportionation Reactivity of Fe Tropocoronand Complexes","Journal of the American Chemical Society","1999","121","","10504","10512","10.1021/ja991664f","","","0.71073","MoKα","","0.097","0.0623","","","0.1434","0.1556","","","","","","1.096","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116578","9.21","0.003","10.096","0.005","23.334","0.008","90","","94.58","0.03","90","","2162.8","1.5","188","2","188","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Fe(NO)(TC-5,5)] (3)","","","- C24 H30 Fe N5 O -","- C24 H30 Fe N5 O -","- C96 H120 Fe4 N20 O4 -","4","1","","Katherine J. Franz; Stephen J. Lippard","NO Disproportionation Reactivity of Fe Tropocoronand Complexes","Journal of the American Chemical Society","1999","121","","10504","10512","10.1021/ja991664f","","","0.71073","MoKα","","0.1082","0.0608","","","0.1768","0.1925","","","","","","1.095","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116579","8.503","0.001","9.847","0.001","15.009","0.001","90","","100.17","0.03","90","","1236.9","0.2","150","0.1","150","0.1","","","","","","","hydrothermal synthesis","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H18 F4 N2 O5 U -","- C4 H12 F4 N2 O5 U -","- C16 H48 F16 N8 O20 U4 -","4","1","","Susan M. Walker; P. Shiv Halasyamani; Simon Allen; Dermot O'Hare","From Molecules to Frameworks: Variable Dimensionality in the UO2(CH3COO)2.2H2O/HF(aq)/Piperazine System. Syntheses, Structures, and Characterization of Zero-Dimensional (C4N2H12)UO2F4.3H2O, One-Dimensional (C4N2H12)2U2F12.H2O, Two-Dimensional (C4N2H12)2(U2O4F5)4.11H2O, and Three-Dimensional (C4N2H12)U2O4F6","Journal of the American Chemical Society","1999","121","","10513","10521","10.1021/ja992145f","","","0.71073","MoKα","","0.0363","0.0335","","0.085","0.0832","","","","1.042","1.048","1.048","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116580","11.983","0.001","8.751","0.001","6.412","0.001","91.53","0.004","112.143","0.004","98.444","0.003","613.57","0.13","200","0.2","150","0.2","","","","","","","hydrothermal synthesis","6","P -1","-P 1","2","","","","- C4 H18 F4 N2 O5 U -","- C4 H12 F4 N2 O5 U -","- C8 H24 F8 N4 O10 U2 -","2","1","","Susan M. Walker; P. Shiv Halasyamani; Simon Allen; Dermot O'Hare","From Molecules to Frameworks: Variable Dimensionality in the UO2(CH3COO)2.2H2O/HF(aq)/Piperazine System. Syntheses, Structures, and Characterization of Zero-Dimensional (C4N2H12)UO2F4.3H2O, One-Dimensional (C4N2H12)2U2F12.H2O, Two-Dimensional (C4N2H12)2(U2O4F5)4.11H2O, and Three-Dimensional (C4N2H12)U2O4F6","Journal of the American Chemical Society","1999","121","","10513","10521","10.1021/ja992145f","","","0.71073","MoKα","","0.0472","0.0438","","0.1173","0.1147","","","","1.016","1.036","1.036","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116581","13.017","0.001","12.379","0.001","6.651","0.001","90","","107.68","0.01","90","","1021.1","0.2","150","0.1","150","0.1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C8 H26 F12 N4 O U2 -","- C8 H24 F12 N4 O U2 -","- C16 H48 F24 N8 O2 U4 -","2","0.25","","Susan M. Walker; P. Shiv Halasyamani; Simon Allen; Dermot O'Hare","From Molecules to Frameworks: Variable Dimensionality in the UO2(CH3COO)2.2H2O/HF(aq)/Piperazine System. Syntheses, Structures, and Characterization of Zero-Dimensional (C4N2H12)UO2F4.3H2O, One-Dimensional (C4N2H12)2U2F12.H2O, Two-Dimensional (C4N2H12)2(U2O4F5)4.11H2O, and Three-Dimensional (C4N2H12)U2O4F6","Journal of the American Chemical Society","1999","121","","10513","10521","10.1021/ja992145f","","","0.71073","MoKα","","0.0299","0.0293","","","0.0793","0.0798","","","","","","1.208","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116582","17.309","0.005","12.092","0.005","24.399","0.007","90","","90.47","0.02","90","","5107","3","150","0.2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H46 F20 N4 O27 U8 -","- C8 H24 F20 N4 O27 U8 -","- C32 H96 F80 N16 O108 U32 -","4","1","","Susan M. Walker; P. Shiv Halasyamani; Simon Allen; Dermot O'Hare","From Molecules to Frameworks: Variable Dimensionality in the UO2(CH3COO)2.2H2O/HF(aq)/Piperazine System. Syntheses, Structures, and Characterization of Zero-Dimensional (C4N2H12)UO2F4.3H2O, One-Dimensional (C4N2H12)2U2F12.H2O, Two-Dimensional (C4N2H12)2(U2O4F5)4.11H2O, and Three-Dimensional (C4N2H12)U2O4F6","Journal of the American Chemical Society","1999","121","","10513","10521","10.1021/ja992145f","","","0.71073","MoKα","","0.0841","0.0576","","0.1619","0.1552","","","","1.063","1.238","1.238","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116583","9.108","0.001","10.059","0.001","13.633","0.001","90","","97.023","0.001","90","","1239.6","0.2","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 F6 N2 O4 U2 -","- C4 F6 N1.99 O4 U2 -","- C16 F24 N7.96 O16 U8 -","4","0.5","","Susan M. Walker; P. Shiv Halasyamani; Simon Allen; Dermot O'Hare","From Molecules to Frameworks: Variable Dimensionality in the UO2(CH3COO)2.2H2O/HF(aq)/Piperazine System. Syntheses, Structures, and Characterization of Zero-Dimensional (C4N2H12)UO2F4.3H2O, One-Dimensional (C4N2H12)2U2F12.H2O, Two-Dimensional (C4N2H12)2(U2O4F5)4.11H2O, and Three-Dimensional (C4N2H12)U2O4F6","Journal of the American Chemical Society","1999","121","","10513","10521","10.1021/ja992145f","","","0.71073","MoKα","","0.0409","0.0405","","0.1053","0.1051","","","","1.313","1.314","1.314","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116584","8.1477","0.0007","13.8943","0.0012","10.1659","0.0009","90","","109.454","0.01","90","","1085.14","0.18","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","dihydride-triisopropylphosphine-1,3,5-trimethylbenzene-iridium(III) tetrafluoro borate","","- C18 H35 B F4 Ir P -","- C18 H35 B F4 Ir P -","- C36 H70 B2 F8 Ir2 P2 -","2","1","","Francisco Torres; Eduardo Sola; Marta Martín; José A. López; Fernando J. Lahoz; Luis A. Oro","C-H Bond Activations by New Labile η6-Arene Complexes of Iridium","Journal of the American Chemical Society","1999","121","","10632","10633","10.1021/ja9923890","","","0.71073","MoKα","","0.0367","0.0345","","","0.0816","0.0833","","","","","","1.079","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116585","4.9028","0.0004","14.349","0.001","16.165","0.002","90","","90","","90","","1137.21","0.19","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 N O3 -","- C11 H16 N O3 -","- C44 H64 N4 O12 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1001","0.0659","","","0.1641","0.1847","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116586","8.2686","0.0008","9.2367","0.0009","17.212","0.002","90","","90","","90","","1314.6","0.2","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C48 H68 N4 O20 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1064","0.0408","","","0.0507","0.0581","","","","","","0.989","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116587","7.9966","0.0003","9.443","0.0004","19.1856","0.0008","90","","90","","90","","1448.74","0.1","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.0481","0.0404","","","0.1063","0.1106","","","","","","1.063","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116588","8.1179","0.0004","23.51","0.001","9.4519","0.0005","90","","92.719","0.001","90","","1801.88","0.15","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","2","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.0575","0.0405","","","0.0887","0.0953","","","","","","1.009","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116589","16.277","0.002","30.993","0.004","10.906","0.001","90","","90","","90","","5501.8","1.1","213","2","213","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H21 N O3 -","- C14 H21 N O3 -","- C224 H336 N16 O48 -","16","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1056","0.0434","","","0.0581","0.0641","","","","","","1.139","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116590","12.3563","0.0002","5.3759","0.0003","13.1034","0.0007","90","","111.416","0.003","90","","810.31","0.07","213","2","213","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O6 -","- C17.001 H18 O6 -","- C34.002 H36 O12 -","2","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.0666","0.0411","","","0.093","0.0986","","","","","","1.006","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116591","6.2147","0.0002","15.7066","0.0005","16.6334","0.0002","90","","90","","90","","1623.62","0.08","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.0809","0.0589","","","0.1505","0.1643","","","","","","1.043","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116592","4.938","0.0004","15.519","0.001","16.645","0.001","90","","90","","90","","1275.55","0.15","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N O3 -","- C12 H19 N O3 -","- C48 H76 N4 O12 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1249","0.0657","","","0.136","0.1624","","","","","","1.009","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116593","11.715","0.003","4.965","0.001","12.921","0.004","90","","96.798","0.005","90","","746.3","0.3","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C28 H42 N2 O10 -","2","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1135","0.0736","","","0.1834","0.212","","","","","","1.031","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116594","8.1709","0.0004","9.6189","0.0004","8.9825","0.0001","90","","96.239","0.002","90","","701.8","0.05","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C26 H38 N2 O10 -","2","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.0442","0.0371","","","0.09","0.0921","","","","","","1.03","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116595","15.629","0.004","8.23","0.002","9.739","0.002","90","","94.815","0.005","90","","1248.3","0.5","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 N O3 -","- C12 H19 N O3 -","- C48 H76 N4 O12 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1135","0.0527","","","0.0834","0.0975","","","","","","1.039","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116596","16.9921","0.0006","18.2387","0.0008","5.915","0.0003","90","","90","","90","","1833.14","0.14","213","2","213","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C20 H27 N O3 -","- C20 H27 N O3 -","- C80 H108 N4 O12 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1295","0.0553","","","0.1114","0.1287","","","","","","1.064","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116597","5.1736","0.0002","12.1557","0.0006","22.513","0.001","90","","90","","90","","1415.81","0.11","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N O3 -","- C16 H18 N O3 -","- C64 H72 N4 O12 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.0936","0.0438","","","0.0782","0.0841","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116598","7.958","0.0004","9.2646","0.0005","25.971","0.001","90","","90","","90","","1914.78","0.16","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1219","0.0399","","","0.0536","0.06","","","","","","1.039","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116599","14.555","0.002","14.555","0.002","11.446","0.002","90","","90","","120","","2099.9","0.5","173","2","293","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C24 H54 N8 -","- C24 H36 N8 -","- C72 H108 N24 -","3","0.333333","","Jineun Kim; Andrew S. Ichimura; Rui H. Huang; Mikhail Redko; Richard C. Phillips; James E. Jackson; James L. Dye","Crystalline Salts of Na-and K-(Alkalides) that Are Stable at Room Temperature","Journal of the American Chemical Society","1999","121","","10666","10667","10.1021/ja992667v","","","0.71073","MoKα","","0.0837","0.072","","0.2505","0.2299","","","","0.982","1.003","1.003","","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116600","17.815","0.004","16.942","0.003","23.136","0.005","90","","90","","90","","6983","3","173","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H59 I K N8 O -","- C26 H60 I K N8 O -","- C208 H480 I8 K8 N64 O8 -","8","1","","Jineun Kim; Andrew S. Ichimura; Rui H. Huang; Mikhail Redko; Richard C. Phillips; James E. Jackson; James L. Dye","Crystalline Salts of Na-and K-(Alkalides) that Are Stable at Room Temperature","Journal of the American Chemical Society","1999","121","","10666","10667","10.1021/ja992667v","","","0.71073","MoKα","","0.0788","0.0521","","0.1271","0.1147","","","","1.036","1.09","1.09","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116601","26.388","0.004","26.388","","26.388","","90","","90","","90","","18375","3","183.2","","183.2","","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C26.33 H53.33 Cl8 O28 P4 Pt4 S8 -","- C29 Cl8 O16 P4 Pt4 S8 -","- C348 Cl96 O192 P48 Pt48 S96 -","12","0.25","","Tadashi Yamaguchi; Haruko Saito; Taro Maki; Tasuku Ito","Syntheses and Structures of Bridge and Chelate Isomers of Tetraplatinum(II) Cluster Complex with Diethyldithiophosphate Ion (Et2dtp) at In-Plane Sites, [Pt4(CH3COO)4(Et2dtp)4], and Their Mutual Isomerization via Cluster Core Rotation","Journal of the American Chemical Society","1999","121","","10738","10742","10.1021/ja990596u","","","0.7107","MoKα","","","0.0461","","","","0.0444","","","","","","1.269","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116602","12.794","0.008","24.99","0.003","14.927","0.003","90","","90","","90","","4772","3","183.2","","183.2","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H52 O16 P4 Pt4 S8 -","- C24 O16 P4 Pt4 S8 -","- C96 O64 P16 Pt16 S32 -","4","0.5","","Tadashi Yamaguchi; Haruko Saito; Taro Maki; Tasuku Ito","Syntheses and Structures of Bridge and Chelate Isomers of Tetraplatinum(II) Cluster Complex with Diethyldithiophosphate Ion (Et2dtp) at In-Plane Sites, [Pt4(CH3COO)4(Et2dtp)4], and Their Mutual Isomerization via Cluster Core Rotation","Journal of the American Chemical Society","1999","121","","10738","10742","10.1021/ja990596u","","","0.7107","MoKα","","","0.0342","","","","0.0374","","","","","","1.477","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116603","10.096","0.004","11.802","0.004","12.42","0.01","90","","108.74","0.06","90","","1401.4","1.4","296","","296","","","","","","","","electrochemical oxidation","4","C 1 2/m 1","-C 2y","12","Ni(ptdt)2 296K","","","- C18 H12 Ni S16 -","- C15 H10 Ni0.25 S16 -","- C30 H20 Ni0.5 S32 -","2","0.25","","Akiko Kobayashi; Hisashi Tanaka; Mieko Kumasaki; Hajime Torii; Bakhyt Narymbetov; Takahumi Adachi","Origin of the High Electrical Conductivity of Neutral [Ni(ptdt)2] (ptdt2-= propylenedithiotetrathiafulvalenedithiolate): A Route to Neutral Molecular Metal","Journal of the American Chemical Society","1999","121","","10763","10771","10.1021/ja9921017","","","0.7107","MoKα","","","0.0873","","","0.1498","","","","","0.14","0.14","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116604","10.058","0.006","11.728","0.006","12.16","0.01","90","","108.11","0.06","90","","1363.3","1.6","90","","90","","","","","","","","electrochemical oxidation","4","C 1 2/m 1","-C 2y","12","Ni(ptdt)2 90K","","","- C18 H12 Ni S16 -","- C15 H10 Ni0.25 S16 -","- C30 H20 Ni0.5 S32 -","2","0.25","","Akiko Kobayashi; Hisashi Tanaka; Mieko Kumasaki; Hajime Torii; Bakhyt Narymbetov; Takahumi Adachi","Origin of the High Electrical Conductivity of Neutral [Ni(ptdt)2] (ptdt2-= propylenedithiotetrathiafulvalenedithiolate): A Route to Neutral Molecular Metal","Journal of the American Chemical Society","1999","121","","10763","10771","10.1021/ja9921017","","","0.7107","MoKα","","","0.0904","","","0.1667","","","","","0.148","0.148","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116605","14.003","0.003","15.695","0.003","12.6","0.004","98.56","0.02","96.49","0.02","69.32","0.02","2556.4","1.2","288.2","","288.2","","","","","","","","","8","P -1","-P 1","2","","","","- C41 H42 Cl6 Cu2 F12 N6 O2 P2 -","- C41 H40 Cl6.01 Cu2 F12 N6 O2 P2 -","- C82 H80 Cl12.02 Cu4 F24 N12 O4 P4 -","2","1","","Masahito Kodera; Kou Katayama; Yoshimitsu Tachi; Koji Kano; Shun Hirota; Shuhei Fujinami; Masatatu Suzuki","Crystal Structure and Reversible O2-Binding of a Room Temperature Stable μ-η2:η2-Peroxodicopper(II) Complex of a Sterically Hindered Hexapyridine Dinucleating Ligand","Journal of the American Chemical Society","1999","121","","11006","11007","10.1021/ja992295q","","","0.7107","MoKα","","","0.0799","","","0.1137","","","","","1.625","1.625","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116606","16.0292","0.0004","19.0713","0.0006","16.8933","0.0005","90","","111.288","0.002","90","","4811.9","0.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H58 N6 O4 -","- C56 H58 N6 O4 -","- C224 H232 N24 O16 -","4","1","","Pavel Anzenbacher; Karolina Jursíková; Vincent M. Lynch; Philip A. Gale; Jonathan L. Sessler","Calix[4]pyrroles Containing Deep Cavities and Fixed Walls. Synthesis, Structural Studies, and Anion Binding Properties of the Isomeric Products Derived from the Condensation of p-Hydroxyacetophenone and Pyrrole","Journal of the American Chemical Society","1999","121","","11020","11021","10.1021/ja993195n","","","0.71073","MoKα","","0.0787","0.049","","0.1141","0.0991","","","","1.03","1.068","1.068","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116607","10.882","0.0005","20.205","0.0006","19.74","0.0006","90","","105.134","0.002","90","","4189.7","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 N4 O6 -","- C50 H51 N4 O6 -","- C200 H204 N16 O24 -","4","1","","Pavel Anzenbacher; Karolina Jursíková; Vincent M. Lynch; Philip A. Gale; Jonathan L. Sessler","Calix[4]pyrroles Containing Deep Cavities and Fixed Walls. Synthesis, Structural Studies, and Anion Binding Properties of the Isomeric Products Derived from the Condensation of p-Hydroxyacetophenone and Pyrrole","Journal of the American Chemical Society","1999","121","","11020","11021","10.1021/ja993195n","","","0.71073","MoKα","","0.1005","0.0582","","0.1288","0.1107","","","","1.079","1.152","1.152","","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116608","9.453","0.0003","14.998","0.0005","14.672","0.0005","90","","102.922","0.002","90","","2027.46","0.12","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 N4 O4 -","- C50 H52 N4 O6 -","- C100 H104 N8 O12 -","2","0.5","","Pavel Anzenbacher; Karolina Jursíková; Vincent M. Lynch; Philip A. Gale; Jonathan L. Sessler","Calix[4]pyrroles Containing Deep Cavities and Fixed Walls. Synthesis, Structural Studies, and Anion Binding Properties of the Isomeric Products Derived from the Condensation of p-Hydroxyacetophenone and Pyrrole","Journal of the American Chemical Society","1999","121","","11020","11021","10.1021/ja993195n","","","0.71073","MoKα","","0.0845","0.0486","","0.1152","0.0985","","","","0.985","1.031","1.031","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116609","11.1593","0.0004","11.2873","0.0004","25.7805","0.0007","90","","92.901","0.002","90","","3243.11","0.19","153","2","153","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C70 H95 F N6 O6 -","- C70 H95 F N6 O6 -","- C140 H190 F2 N12 O12 -","2","1","","Pavel Anzenbacher; Karolina Jursíková; Vincent M. Lynch; Philip A. Gale; Jonathan L. Sessler","Calix[4]pyrroles Containing Deep Cavities and Fixed Walls. Synthesis, Structural Studies, and Anion Binding Properties of the Isomeric Products Derived from the Condensation of p-Hydroxyacetophenone and Pyrrole","Journal of the American Chemical Society","1999","121","","11020","11021","10.1021/ja993195n","","","0.71073","MoKα","","0.1389","0.0785","","0.1751","0.1492","","","","1.063","1.152","1.152","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116610","10.435","0.002","20.878","0.003","24.207","0.003","68.4","0.1","89.1","0.1","82.8","0.1","4862","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ac-TOAC-(Aib)2-TOAC-Aib-OtBu dihydrate","","- C38 H71 N7 O11 -","- C38 H71 N7 O11 -","- C152 H284 N28 O44 -","4","2","","Alessandra Polese; D. Joe Anderson; Glenn Millhauser; Fernando Formaggio; Marco Crisma; Fernando Marchiori; Claudio Toniolo","First Interchain Peptide Interaction Detected by ESR in Fully Synthetic, Template-Assisted, Two-Helix Bundles","Journal of the American Chemical Society","1999","121","","11071","11078","10.1021/ja992079h","","","1.54178","CuKα","","0.1749","0.0834","","","0.2063","0.2472","","","","","","0.896","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116611","17.7526","0.0003","21.1054","0.0004","17.8629","0.0002","90","","104.505","0.001","90","","6479.47","0.18","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Ca H100 N13 O134 P5 W30 -","- Ca O147 P5 W30 -","- Ca2 O294 P10 W60 -","2","0.5","","Kee-Chan Kim; Michael T. Pope; Gennaro J. Gama; Michael H. Dickman","Slow Proton Exchange in Aqueous Solution. Consequences of Protonation and Hydration within the Central Cavity of Preyssler Anion Derivatives, [|M(H2O)|@P5W30O110]n-","Journal of the American Chemical Society","1999","121","","11164","11170","10.1021/ja992105b","","","0.71073","MoKα","","0.1132","0.084","","","0.2179","0.2382","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116612","17.4987","0.0002","21.5054","0.0003","17.5497","0.0001","90","","104.808","0.001","90","","6384.9","0.12","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Ca H94 K5 O153 P5 W30 -","- Ca K5 O153 P5 W30 -","- Ca2 K10 O306 P10 W60 -","2","0.5","","Kee-Chan Kim; Michael T. Pope; Gennaro J. Gama; Michael H. Dickman","Slow Proton Exchange in Aqueous Solution. Consequences of Protonation and Hydration within the Central Cavity of Preyssler Anion Derivatives, [|M(H2O)|@P5W30O110]n-","Journal of the American Chemical Society","1999","121","","11164","11170","10.1021/ja992105b","","","0.71073","MoKα","","0.0862","0.0589","","","0.1463","0.1632","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116613","16.9079","0.0006","20.9669","0.0007","17.8737","0.0006","90","","113.786","0.001","90","","5798.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- H50 K3 O131 P5 U W30 -","- K3 O131 P5 U W30 -","- K6 O262 P10 U2 W60 -","2","0.5","","Kee-Chan Kim; Michael T. Pope; Gennaro J. Gama; Michael H. Dickman","Slow Proton Exchange in Aqueous Solution. Consequences of Protonation and Hydration within the Central Cavity of Preyssler Anion Derivatives, [|M(H2O)|@P5W30O110]n-","Journal of the American Chemical Society","1999","121","","11164","11170","10.1021/ja992105b","","","0.71073","MoKα","","0.1002","0.0703","","","0.1524","0.1664","","","","","","1.108","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116614","17.6012","0.0008","28.1222","0.0013","24.6158","0.0011","90","","109.311","0.001","90","","11498.9","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H69 K5 O141 P5 W30 Y -","- K5.1 O141 P5 W30 Y -","- K20.4 O564 P20 W120 Y4 -","4","0.5","","Kee-Chan Kim; Michael T. Pope; Gennaro J. Gama; Michael H. Dickman","Slow Proton Exchange in Aqueous Solution. Consequences of Protonation and Hydration within the Central Cavity of Preyssler Anion Derivatives, [|M(H2O)|@P5W30O110]n-","Journal of the American Chemical Society","1999","121","","11164","11170","10.1021/ja992105b","","","0.71073","MoKα","","0.1041","0.0843","","","0.1719","0.1837","","","","","","1.266","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116615","17.464","0.004","17.766","0.003","23.51","0.003","97.351","0.011","98.298","0.008","112.133","0.018","6552","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- H112 N14 Na O138.5 P5 W30 -","- Na O152.5 P5 W30 -","- Na2 O305 P10 W60 -","2","1","","Kee-Chan Kim; Michael T. Pope; Gennaro J. Gama; Michael H. Dickman","Slow Proton Exchange in Aqueous Solution. Consequences of Protonation and Hydration within the Central Cavity of Preyssler Anion Derivatives, [|M(H2O)|@P5W30O110]n-","Journal of the American Chemical Society","1999","121","","11164","11170","10.1021/ja992105b","","","0.71073","MoKα","","0.0851","0.0564","","","0.1214","0.1346","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116616","17.5255","0.0001","21.0554","0.0002","35.5201","0.0003","90","","104.142","0.001","90","","12709.9","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H96 N12 O134 P5 W30 Y -","- O146 P5 W30 Y -","- O584 P20 W120 Y4 -","4","1","","Kee-Chan Kim; Michael T. Pope; Gennaro J. Gama; Michael H. Dickman","Slow Proton Exchange in Aqueous Solution. Consequences of Protonation and Hydration within the Central Cavity of Preyssler Anion Derivatives, [|M(H2O)|@P5W30O110]n-","Journal of the American Chemical Society","1999","121","","11164","11170","10.1021/ja992105b","","","0.71073","MoKα","","0.0939","0.0627","","","0.1428","0.1593","","","","","","1.067","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116617","10.98","0.01","4.862","0.002","17.72","0.01","90","","97.93","0.09","90","","936.9","1.1","210.2","","210.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 N O2 -","- C10 H12 N O2 -","- C40 H48 N4 O8 -","4","1","","Akikazu Matsumoto; Toru Odani; Masaaki Chikada; Kazuki Sada; Mikiji Miyata","Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium) (Z,Z)-Muconates","Journal of the American Chemical Society","1999","121","","11122","11129","10.1021/ja992558g","","","0.7107","MoKα","","0.1149","0.1149","","","0.3131","0.3131","","","","","","1.226","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116618","11.033","0.002","4.936","0.0008","18.011","0.004","90","","95.055","0.005","90","","977","0.3","296.2","","296.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Cl N O2 -","- C10 H11 Cl N O2 -","- C40 H44 Cl4 N4 O8 -","4","1","","Akikazu Matsumoto; Toru Odani; Masaaki Chikada; Kazuki Sada; Mikiji Miyata","Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium) (Z,Z)-Muconates","Journal of the American Chemical Society","1999","121","","11122","11129","10.1021/ja992558g","","","0.7107","MoKα","","0.0983","0.0983","","","0.2727","0.2727","","","","","","1.155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116619","8.614","0.002","13.731","0.004","8.795","0.003","90","","103.06","0.02","90","","1013.4","0.5","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H14 N O2 -","- C11 H14 N O2 -","- C44 H56 N4 O8 -","4","1","","Akikazu Matsumoto; Toru Odani; Masaaki Chikada; Kazuki Sada; Mikiji Miyata","Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium) (Z,Z)-Muconates","Journal of the American Chemical Society","1999","121","","11122","11129","10.1021/ja992558g","","","0.7107","MoKα","","0.0444","0.0444","","","0.1263","0.1263","","","","","","1.159","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116620","8.594","0.0006","11.638","0.001","11.158","0.001","90","","110.433","0.002","90","","1045.77","0.15","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H14 N O3 -","- C11 H14 N O3 -","- C44 H56 N4 O12 -","4","1","","Akikazu Matsumoto; Toru Odani; Masaaki Chikada; Kazuki Sada; Mikiji Miyata","Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium) (Z,Z)-Muconates","Journal of the American Chemical Society","1999","121","","11122","11129","10.1021/ja992558g","","","0.7107","MoKα","","0.0469","0.0469","","","0.1543","0.1543","","","","","","1.131","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116621","9.366","0.003","10.858","0.004","5.599","0.003","98.043","0.007","98.117","0.006","97.42","0.02","551.7","0.4","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 N O3 -","- C11 H14 N O3 -","- C22 H28 N2 O6 -","2","1","","Akikazu Matsumoto; Toru Odani; Masaaki Chikada; Kazuki Sada; Mikiji Miyata","Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium) (Z,Z)-Muconates","Journal of the American Chemical Society","1999","121","","11122","11129","10.1021/ja992558g","","","0.7107","MoKα","","0.1647","0.1647","","","0.4025","0.4025","","","","","","1.722","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116622","21.598","0.006","6.139","0.002","21.58","0.02","90","","112.02","0.05","90","","2653","3","197.2","","197.2","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C96 H112 N8 O24 -","4","1","","Akikazu Matsumoto; Toru Odani; Masaaki Chikada; Kazuki Sada; Mikiji Miyata","Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium) (Z,Z)-Muconates","Journal of the American Chemical Society","1999","121","","11122","11129","10.1021/ja992558g","","","0.7107","MoKα","","0.1166","0.1166","","","0.2975","0.2975","","","","","","1.248","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116623","19.173","0.003","19.173","0.003","17.416","0.004","90","","90","","120","","5544.5","1.8","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C72 H61 Cd3 Cl2 N9 O15 -","- C72 H61 Cd3 Cl1.98 N9 O14.92 -","- C216 H183 Cd9 Cl5.94 N27 O44.76 -","3","0.166667","","Wenbin Lin; Zhiyong Wang; Ling Ma","A Novel Octupolar Metal-Organic NLO Material Based on a Chiral 2D Coordination Network","Journal of the American Chemical Society","1999","121","","11249","11250","10.1021/ja9928327","","","0.71073","MoKα","","0.0493","0.0266","","","0.0596","0.0651","","","","","","0.976","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116624","11.516","0.002","11.715","0.004","17.833","0.005","75.18","0.03","79.67","0.02","87.3","0.02","2288.1","1.1","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H55 Cl4 N7 O4 S -","- C44 H51 N7 O4 S -","- C88 H102 N14 O8 S2 -","2","1","","Jonathan L. Sessler; Daniel Seidel; Vincent Lynch","Synthesis of [28]Heptaphyrin(1.0.0.1.0.0.0) and [32]Octaphyrin(1.0.0.0.1.0.0.0) via a Directed Oxidative Ring Closure: The First Expanded Porphyrins Containing a Quaterpyrrole Subunit","Journal of the American Chemical Society","1999","121","","11257","11258","10.1021/ja992934x","","","0.71073","MoKα","","0.1555","0.0821","","0.2101","0.196","","","","1.028","1.555","1.555","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116625","10.712","0.0003","13.327","0.0003","18.162","0.0006","92.146","0.002","103.245","0.0015","104.125","0.002","2435.51","0.12","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H52 Cl2 N8 O2 -","- C52 H66 Cl2 N8 O2 -","- C104 H132 Cl4 N16 O4 -","2","1","","Jonathan L. Sessler; Daniel Seidel; Vincent Lynch","Synthesis of [28]Heptaphyrin(1.0.0.1.0.0.0) and [32]Octaphyrin(1.0.0.0.1.0.0.0) via a Directed Oxidative Ring Closure: The First Expanded Porphyrins Containing a Quaterpyrrole Subunit","Journal of the American Chemical Society","1999","121","","11257","11258","10.1021/ja992934x","","","0.71073","MoKα","","0.1571","0.1013","","0.2416","0.2263","","","","1.601","1.934","1.934","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116626","7.902","0.002","8.256","0.003","8.859","0.003","78.4","0.02","76.73","0.02","87.96","0.03","551","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H23 N O5 S -","- C24 H23 N O5 S -","- C24 H23 N O5 S -","1","1","","Miguel A. Miranda; Agustin Lahoz; Ramón Martínez-Máñez; Francisco Boscá; José V. Castell; Julia Pérez-Prieto","Enantioselective Discrimination in the Intramolecular Quenching of an Excited Aromatic Ketone by a Ground-State Phenol","Journal of the American Chemical Society","1999","121","","11569","11570","10.1021/ja990823s","","","0.71073","MoKα","","0.0624","0.0327","","0.1365","0.091","","","","0.89","0.878","0.878","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116627","8.056","0.005","8.326","0.005","8.751","0.006","77.78","0.05","78.13","0.05","89.88","0.05","560.9","0.6","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H23 N O5 S -","- C24 H23 N O5 S -","- C24 H23 N O5 S -","1","1","","Miguel A. Miranda; Agustin Lahoz; Ramón Martínez-Máñez; Francisco Boscá; José V. Castell; Julia Pérez-Prieto","Enantioselective Discrimination in the Intramolecular Quenching of an Excited Aromatic Ketone by a Ground-State Phenol","Journal of the American Chemical Society","1999","121","","11569","11570","10.1021/ja990823s","","","0.71073","MoKα","","0.0532","0.049","","0.1319","0.1271","","","","1.117","1.124","1.124","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116628","7.889","0.005","8.294","0.005","8.727","0.005","79.7","0.05","74.71","0.04","87.15","0.05","541.9","0.6","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H21 N O5 S -","- C24 H23 N O5 S -","- C24 H23 N O5 S -","1","1","","Miguel A. Miranda; Agustin Lahoz; Ramón Martínez-Máñez; Francisco Boscá; José V. Castell; Julia Pérez-Prieto","Enantioselective Discrimination in the Intramolecular Quenching of an Excited Aromatic Ketone by a Ground-State Phenol","Journal of the American Chemical Society","1999","121","","11569","11570","10.1021/ja990823s","","","0.71073","MoKα","","0.0319","0.0297","","0.0874","0.0835","","","","0.815","0.8","0.8","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116629","6.41","0.004","11.37","0.004","9.627","0.005","90","","108","0.04","90","","667.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-bis(4-nitrophenyl)tetrafluorosulfurane","","- C12 H8 F4 N2 O4 S -","- C12 H8 F4 N2 O4 S -","- C24 H16 F8 N4 O8 S2 -","2","0.5","","Peer Kirsch; Matthias Bremer; Annette Kirsch; Jens Osterodt","Bis(4-nitrophenyl)tetrafluorosulfuranes: Synthesis, Isomerization and Structural Characterization","Journal of the American Chemical Society","1999","121","","11277","11280","10.1021/ja9915495","","","0.71073","MoKα","","0.0807","0.0431","","","0.0941","0.1015","","","","","","0.789","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116630","17.481","0.006","9.892","0.003","14.524","0.005","90","","123.879","0.007","90","","2085.1","1.2","160","2","160","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Pt(dmpp)~2~","","","- C14 H36 P4 Pt -","- C14 H36 P4 Pt -","- C56 H144 P16 Pt4 -","4","0.5","","Douglas E. Berning; Bruce C. Noll; Daniel L. DuBois","Relative Hydride, Proton, and Hydrogen Atom Transfer Abilities of [HM(diphosphine)2]PF6 Complexes (M = Pt, Ni)","Journal of the American Chemical Society","1999","121","","11432","11447","10.1021/ja991888y","","","0.71073","MoKα","","0.0223","0.0218","","","0.0508","0.051","","","","","","1.113","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116631","17.7374","0.0002","9.064","","17.9013","0.0002","90","","96.187","0.001","90","","2861.26","0.05","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(dmpe)~2~Ni^II^][PF~6~]~2~^.^CH~3~NO~2~","","","- C13 H35 F12 N Ni O2 P6 -","- C13 H35 F12.06 N Ni O2 P6 -","- C52 H140 F48.24 N4 Ni4 O8 P24 -","4","1","","Douglas E. Berning; Bruce C. Noll; Daniel L. DuBois","Relative Hydride, Proton, and Hydrogen Atom Transfer Abilities of [HM(diphosphine)2]PF6 Complexes (M = Pt, Ni)","Journal of the American Chemical Society","1999","121","","11432","11447","10.1021/ja991888y","","","0.71073","MoKα","","0.0434","0.0315","","","0.0744","0.0805","","","","","","1.047","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116632","17.7301","0.0002","10.9129","0.0001","15.7799","0.0001","90","","90","","90","","3053.2","0.05","162","2","162","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C20 H50 B2 F8 Ni O P4 -","- C20 H50 B2 F8 Ni O P4 -","- C80 H200 B8 F32 Ni4 O4 P16 -","4","0.5","","Douglas E. Berning; Bruce C. Noll; Daniel L. DuBois","Relative Hydride, Proton, and Hydrogen Atom Transfer Abilities of [HM(diphosphine)2]PF6 Complexes (M = Pt, Ni)","Journal of the American Chemical Society","1999","121","","11432","11447","10.1021/ja991888y","","","0.71073","MoKα","","0.0438","0.0316","","","0.0671","0.0731","","","","","","0.914","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116633","9.8371","0.0013","16.764","0.003","14.8801","0.0018","90","","101.136","0.007","90","","2407.7","0.6","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H36 B2 F8 Ni P4 -","- C14 H36 B2 F8 Ni P4 -","- C56 H144 B8 F32 Ni4 P16 -","4","1","","Douglas E. Berning; Bruce C. Noll; Daniel L. DuBois","Relative Hydride, Proton, and Hydrogen Atom Transfer Abilities of [HM(diphosphine)2]PF6 Complexes (M = Pt, Ni)","Journal of the American Chemical Society","1999","121","","11432","11447","10.1021/ja991888y","","","0.71073","MoKα","","0.0354","0.0286","","","0.0672","0.0716","","","","","","1.034","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116634","17.5851","0.0017","9.313","0.001","18.412","0.003","90","","94.269","0.006","90","","3007","0.7","141","2","141","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15.61 H39.73 F12 N0.27 O0.53 P6 Pt -","- C15.6 H39.735 F12 N0.2665 O0.534 P6 Pt -","- C62.4 H158.94 F48 N1.066 O2.136 P24 Pt4 -","4","1","","Douglas E. Berning; Bruce C. Noll; Daniel L. DuBois","Relative Hydride, Proton, and Hydrogen Atom Transfer Abilities of [HM(diphosphine)2]PF6 Complexes (M = Pt, Ni)","Journal of the American Chemical Society","1999","121","","11432","11447","10.1021/ja991888y","","","0.71073","MoKα","","0.0412","0.0332","","","0.0771","0.0805","","","","","","1.047","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116635","19.9406","0.0004","9.0706","0.0002","16.7066","0.0003","90","","97.49","","90","","2995.99","0.1","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ni(dmpe)~2~(CH~3~CN)](BF~4~)~2~","","","- C16 H38 F12 N2 Ni P6 -","- C16 H38 F12 N2 Ni P6 -","- C64 H152 F48 N8 Ni4 P24 -","4","1","","Douglas E. Berning; Bruce C. Noll; Daniel L. DuBois","Relative Hydride, Proton, and Hydrogen Atom Transfer Abilities of [HM(diphosphine)2]PF6 Complexes (M = Pt, Ni)","Journal of the American Chemical Society","1999","121","","11432","11447","10.1021/ja991888y","","","0.71073","MoKα","","0.1062","0.056","","","0.1074","0.1349","","","","","","1.144","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116636","10.7503","0.0012","14.2268","0.0019","17.8531","0.0015","93.236","0.006","92.155","0.006","92.39","0.005","2721.6","0.5","169","2","169","2","","","","","","","","7","P -1","-P 1","2","[Ni(dmpp)~2~(CH~3~CN)](BF~4~)~2~","","","- C16 H39 B2 F8 N Ni P4 -","- C16 H38.747 B2 F8 N Ni P4 -","- C64 H154.988 B8 F32 N4 Ni4 P16 -","4","2","","Douglas E. Berning; Bruce C. Noll; Daniel L. DuBois","Relative Hydride, Proton, and Hydrogen Atom Transfer Abilities of [HM(diphosphine)2]PF6 Complexes (M = Pt, Ni)","Journal of the American Chemical Society","1999","121","","11432","11447","10.1021/ja991888y","","","0.71073","MoKα","","0.0899","0.0528","","","0.1142","0.1336","","","","","","1.021","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116637","17.5777","0.0017","9.5357","0.0011","14.7122","0.0016","90","","123.458","0.005","90","","2057.4","0.4","152","2","152","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Ni(dmpp)~2~","","","- C14 H36 Ni P4 -","- C14 H36 Ni P4 -","- C56 H144 Ni4 P16 -","4","0.5","","Douglas E. Berning; Bruce C. Noll; Daniel L. DuBois","Relative Hydride, Proton, and Hydrogen Atom Transfer Abilities of [HM(diphosphine)2]PF6 Complexes (M = Pt, Ni)","Journal of the American Chemical Society","1999","121","","11432","11447","10.1021/ja991888y","","","0.71073","MoKα","","0.0638","0.0442","","","0.0793","0.0874","","","","","","1.463","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116638","12.442","0.0006","18.635","0.0007","28.37","0.001","90","0","90","0","90","0","6577.8","0.5","120","","","","","","","","","","Local laboratory","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H108 Ge3 Si7 -","- C45 H108 Ge3 Si7 -","- C180 H432 Ge12 Si28 -","4","1","","Akira Sekiguchi; Norihisa Fukaya; Masaaki Ichinohe; Nozomi Takagi; Shigeru Nagase","Synthesis of Unsymmetrically Substituted Cyclotrigermenes and the First Example of Cis Configuration around the GeGe Double Bond","Journal of the American Chemical Society","1999","121","","11587","11588","10.1021/ja9923080","","","0.71073","xray","","","0.064","","","0.142","","","","","4.933","4.933","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116639","26.387","0.002","17.4364","0.001","13.8016","0.0012","90","","101.65","0.0015","90","","6219.2","0.8","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","o-NHAcSR","","","- C70 H66 Fe N9 O6 S -","- C70 H66 Fe N9 O6 S -","- C280 H264 Fe4 N36 O24 S4 -","4","1","","Noriyuki Suzuki; Tsunehiko Higuchi; Yasuteru Urano; Kazuya Kikuchi; Hidehiro Uekusa; Yuji Ohashi; Takeshi Uchida; Teizo Kitagawa; Tetsuo Nagano","Novel Iron Porphyrin-Alkanethiolate Complex with Intramolecular NH...S Hydrogen Bond: Synthesis, Spectroscopy, and Reactivity","Journal of the American Chemical Society","1999","121","","11571","11572","10.1021/ja992511v","","","1.54184","CuKα","","0.2092","0.0541","","","0.1131","0.1364","","","","","","0.698","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116640","18.831","0.002","18.831","0.002","13.075","0.002","90","0.01","90","0.01","90","0.01","4636.5","1","153","5","153","5","","","","","","","","6","P 4","P 4","75","","","","- C37 H52.5 Nd O6.5 Se4.5 Yb -","- C37 H50 Nd O6.5 Se4.5 Yb -","- C148 H200 Nd4 O26 Se18 Yb4 -","4","1","","Deborah Freedman; Safak Sayan; Thomas J. Emge; Mark Croft; John G. Brennan","Heterovalent Clusters: Ln4Se(SePh)8 (Ln4= Sm4, Yb4, Sm2Yb2, Nd2Yb2)","Journal of the American Chemical Society","1999","121","","11713","11719","10.1021/ja991437d","","","0.71073","MoKα","","0.1763","0.0811","","","0.2079","0.2332","","","","","","1.265","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116641","18.544","0.003","18.544","0.003","24.015","0.004","90","0.02","90","0.02","90","0.02","8258","2","153","5","153","5","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H22.5 O2.5 Se2.25 Sm -","- C17 H20 O2.5 Se2.25 Sm -","- C272 H320 O40 Se36 Sm16 -","16","1","","Deborah Freedman; Safak Sayan; Thomas J. Emge; Mark Croft; John G. Brennan","Heterovalent Clusters: Ln4Se(SePh)8 (Ln4= Sm4, Yb4, Sm2Yb2, Nd2Yb2)","Journal of the American Chemical Society","1999","121","","11713","11719","10.1021/ja991437d","","","0.71073","MoKα","","0.1796","0.0637","","","0.1131","0.1292","","","","","","0.957","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116642","18.289","0.003","18.289","0.003","24.299","0.014","90","0.02","90","0.02","90","0.02","8128","5","153","5","153","5","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H22.5 O2.5 Se2.25 Yb -","- C17 H20 O2.5 Se2.25 Yb -","- C272 H320 O40 Se36 Yb16 -","16","1","","Deborah Freedman; Safak Sayan; Thomas J. Emge; Mark Croft; John G. Brennan","Heterovalent Clusters: Ln4Se(SePh)8 (Ln4= Sm4, Yb4, Sm2Yb2, Nd2Yb2)","Journal of the American Chemical Society","1999","121","","11713","11719","10.1021/ja991437d","","","0.71073","MoKα","","0.1358","0.0569","","","0.1195","0.1341","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116643","18.493","0.003","18.493","0.003","24.172","0.006","90","0.02","90","0.02","90","0.02","8267","3","153","5","153","5","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H22.5 O2.5 Se2.25 Sm0.61 Yb0.39 -","- C17 H22.5 O2.5 Se2.25 Sm0.6 Yb0.4 -","- C272 H360 O40 Se36 Sm9.6 Yb6.4 -","16","1","","Deborah Freedman; Safak Sayan; Thomas J. Emge; Mark Croft; John G. Brennan","Heterovalent Clusters: Ln4Se(SePh)8 (Ln4= Sm4, Yb4, Sm2Yb2, Nd2Yb2)","Journal of the American Chemical Society","1999","121","","11713","11719","10.1021/ja991437d","","","0.71073","MoKα","","0.0744","0.0363","","","0.0733","0.0836","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116644","18.465","0.003","18.465","0.003","24.1","0.006","90","0.02","90","0.02","90","0.02","8217","3","153","5","153","5","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H22.5 Nd0.5 O2.5 Se2.25 Yb0.5 -","- C17 H20 Nd0.548 O2.5 Se2.25 Yb0.452 -","- C272 H320 Nd8.768 O40 Se36 Yb7.232 -","16","1","","Deborah Freedman; Safak Sayan; Thomas J. Emge; Mark Croft; John G. Brennan","Heterovalent Clusters: Ln4Se(SePh)8 (Ln4= Sm4, Yb4, Sm2Yb2, Nd2Yb2)","Journal of the American Chemical Society","1999","121","","11713","11719","10.1021/ja991437d","","","0.71073","MoKα","","0.1618","0.0445","","","0.0554","0.0636","","","","","","0.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116645","33.092","0.001","10.215","0.0002","28.944","0.002","90","","103.282","0.003","90","","9522.4","0.8","213","2","213","2","","","","","","","synthesized","6","C 1 2/c 1","-C 2yc","15","","Bis(trans-dichloro-bis(4-tert-butylpyridine))-di-molybdenum (II), D2-isomer, acetone solvate","","- C39 H58 Cl4 Mo2 N4 O -","- C39 H56.5 Cl4 Mo2 N4 O -","- C312 H452 Cl32 Mo16 N32 O8 -","8","1","","F. Albert Cotton; Evgeny V. Dikarev; Jiande Gu; Santiago Herrero; Barbara Modec","Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 5. Experimental and Theoretical Study of the Rotation Conformational Preferences of Mo2Cl4(R-py)4 (R-py = Substituted Pyridine) Molecules","Journal of the American Chemical Society","1999","121","","11758","11761","10.1021/ja992445x","","","0.71073","MoKα","","0.0446","0.0401","","0.1103","0.1028","","","","1.102","1.092","1.092","","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116646","11.6996","0.001","12.3935","0.0011","15.8708","0.0013","90","","113.34","0.007","90","","2112.9","0.3","150","","150","","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 B Br F4 N2 O Pt -","- C19 H26 B Br F4 N2 O Pt -","- C76 H104 B4 Br4 F16 N8 O4 Pt4 -","4","1","","Albrecht, Martin; Gossage, Robert A.; Spek, Anthony L.; van Koten, Gerard","Metal-Mediated C-C Bond Making and Breaking: First Direct Evidence for a Reversible Migration of a Benzyl Group along a Metal-Carbon Bond","Journal of the American Chemical Society","1999","121","50","11898","11899","10.1021/ja992494+","","","0.71073","MoKα","","0.0359","0.0273","","","0.0622","0.0649","","","","","","1.062","","","","has coordinates","270162","2021-10-29","12:03:03",""
"4116647","13.336","0.011","14.275","0.009","14.095","0.008","90","","106.81","0.05","90","","2569","3","188","2","188","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 N4 O2 Ti -","- C28 H34 N4 O2 Ti -","- C112 H136 N16 O8 Ti4 -","4","1","","Dietrich P. Steinhuebel; Stephen J. Lippard","Synthesis of Unsymmetrical Diolate, Oxametallacyclopentene, Amido-Alkoxide and Thiolato-Alkoxide Complexes Using Dialkyl and Diaryl Titanium Aminotroponiminate Complexes: A Route to Unsymmetrical Vicinal Diols","Journal of the American Chemical Society","1999","121","","11762","11772","10.1021/ja992662y","","","0.71073","MoKα","","0.142","0.0745","","","0.1096","0.1305","","","","","","1.038","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116648","16.222","0.002","15.4521","0.0016","11.8922","0.0017","90","","91.811","0.013","90","","2979.5","0.6","188","2","188","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 N4 O2 Ti -","- C34 H38 N4 O2 Ti -","- C136 H152 N16 O8 Ti4 -","4","1","","Dietrich P. Steinhuebel; Stephen J. Lippard","Synthesis of Unsymmetrical Diolate, Oxametallacyclopentene, Amido-Alkoxide and Thiolato-Alkoxide Complexes Using Dialkyl and Diaryl Titanium Aminotroponiminate Complexes: A Route to Unsymmetrical Vicinal Diols","Journal of the American Chemical Society","1999","121","","11762","11772","10.1021/ja992662y","","","0.71073","MoKα","","0.0446","0.0349","","","0.0928","0.0976","","","","","","1.049","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116649","10.384","0.003","13.028","0.004","13.305","0.005","118.1","0.02","92.91","0.04","110.73","0.02","1432.5","1","188","2","188","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N4 O2 Ti -","- C32 H34 N4 O2 Ti -","- C64 H68 N8 O4 Ti2 -","2","1","","Dietrich P. Steinhuebel; Stephen J. Lippard","Synthesis of Unsymmetrical Diolate, Oxametallacyclopentene, Amido-Alkoxide and Thiolato-Alkoxide Complexes Using Dialkyl and Diaryl Titanium Aminotroponiminate Complexes: A Route to Unsymmetrical Vicinal Diols","Journal of the American Chemical Society","1999","121","","11762","11772","10.1021/ja992662y","","","0.71073","MoKα","","0.1618","0.0868","","","0.168","0.2031","","","","","","1.016","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116650","13.233","0.004","13.823","0.004","13.863","0.003","60.514","0.015","88.656","0.016","87.332","0.017","2205","1.1","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H51 N5 O3 S Ti -","- C51 H51 N5 O3 S Ti -","- C102 H102 N10 O6 S2 Ti2 -","2","1","","Dietrich P. Steinhuebel; Stephen J. Lippard","Synthesis of Unsymmetrical Diolate, Oxametallacyclopentene, Amido-Alkoxide and Thiolato-Alkoxide Complexes Using Dialkyl and Diaryl Titanium Aminotroponiminate Complexes: A Route to Unsymmetrical Vicinal Diols","Journal of the American Chemical Society","1999","121","","11762","11772","10.1021/ja992662y","","","0.71073","MoKα","","0.1215","0.0595","","","0.1577","0.184","","","","","","0.963","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116651","10.9698","0.0007","13.1873","0.0009","14.63","0.0009","115.08","0.001","94.619","0.001","109.801","0.002","1740","0.2","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 N4 O S Ti -","- C40 H44 N4 O S Ti -","- C80 H88 N8 O2 S2 Ti2 -","2","1","","Dietrich P. Steinhuebel; Stephen J. Lippard","Synthesis of Unsymmetrical Diolate, Oxametallacyclopentene, Amido-Alkoxide and Thiolato-Alkoxide Complexes Using Dialkyl and Diaryl Titanium Aminotroponiminate Complexes: A Route to Unsymmetrical Vicinal Diols","Journal of the American Chemical Society","1999","121","","11762","11772","10.1021/ja992662y","","","0.71073","MoKα","","0.0999","0.0526","","","0.1331","0.1503","","","","","","1.006","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116652","12.5029","0.0002","13.0424","0.0004","18.9793","0.0005","81.7009","0.001","88.3043","0.0015","84.2634","0.0015","3046.8","0.13","298","2","298","2","","","","","","","chemical synthesis","6","P -1","-P 1","2","Fe(oximate)TDCPP.chlorobenzene.0.5heptane","(fluorenoneoximato)iron(III)[5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin]. chlorobenzene.0.5heptane","","- C66.5 H41 Cl9 Fe N5 O -","- C57 H28 Cl8 Fe N5 O -","- C114 H56 Cl16 Fe2 N10 O2 -","2","1","","Wang, Charles C.-Y.; M. Ho, Douglas; Groves, John T.","Models of Nitric Oxide Synthase: Iron(III) Porphyrin-Catalyzed Oxidation of Fluorenone Oxime to Nitric Oxide and Fluorenone","Journal of the American Chemical Society","1999","121","51","12094","12103","10.1021/ja992373+","","","0.71073","MoKα","","0.1155","0.0571","","0.1681","0.149","","","","1.068","1.325","1.325","","","","","has coordinates","270161","2021-10-29","11:58:41",""
"4116653","9.8776","0.0006","11.9206","0.0006","17.4262","0.0012","90","","101.55","0.003","90","","2010.3","0.2","298","2","298","2","","","","","","","chemical synthesis","4","P 1 21/n 1","-P 2yn","14","","O-(9-nitro-9-fluorenyl)fluorenone oxime","","- C26 H16 N2 O3 -","- C26 H16 N2 O3 -","- C104 H64 N8 O12 -","4","1","","Wang, Charles C.-Y.; M. Ho, Douglas; Groves, John T.","Models of Nitric Oxide Synthase: Iron(III) Porphyrin-Catalyzed Oxidation of Fluorenone Oxime to Nitric Oxide and Fluorenone","Journal of the American Chemical Society","1999","121","51","12094","12103","10.1021/ja992373+","","","0.71073","MoKα","","0.0772","0.0569","","0.1529","0.1407","","","","1.092","1.203","1.203","","","","","has coordinates,has disorder","270161","2021-10-29","11:58:43",""
"4116654","15.53","0.02","18.45","0.01","24.71","0.01","107.73","0.04","101.23","0.05","101.55","0.06","6354","10","193","","193","","","","","","","","?","8","P -1","-P 1","2","","","","- C94 H182 Cl2 Li6 O20 S4 Si4 Ti4 -","- C94 H182 Cl2 Li6 O20 S4 Si4 Ti4 -","- C188 H364 Cl4 Li12 O40 S8 Si8 Ti8 -","2","1","","Jürgen F. K. Müller; Markus Neuburger; Hans-Peter Weber","Structure Determination of a Lithiated Titanium-Sulfone","Journal of the American Chemical Society","1999","121","","12212","12213","10.1021/ja993048p","","","1.5418","CuKα","","","0.1082","","","0.1259","","","","","1.0586","1.0586","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116655","11.6456","0.0002","18.816","0.0002","23.1313","0.0005","70.379","0.001","89.586","0.001","85.641","0.001","4759.59","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38.25 H65.75 Co2 N4 O20.38 -","- C37.25 H45.5 Co2 N4 O20.125 -","- C149 H182 Co8 N16 O80.5 -","4","2","","Chuan He; Stephen J. Lippard","Aminoguanidinium Hydrolysis Effected by a Hydroxo-Bridged Dicobalt(II) Complex as a Functional Model for Arginase and Catalyzed by Mononuclear Cobalt(II) Complexes","Journal of the American Chemical Society","1998","120","","105","113","10.1021/ja972524d","","","0.71073","MoKα","","0.096","0.0597","","0.1664","0.1456","","","","1.043","1.126","1.126","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116656","12.388","0.0004","16.7363","0.0006","27.9451","0.001","90","","94.176","0.001","90","","5778.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H73 Co2 N7 O15 -","- C58 H59 Co2 N7 O14.98 -","- C232 H236 Co8 N28 O59.92 -","4","1","","Chuan He; Stephen J. Lippard","Aminoguanidinium Hydrolysis Effected by a Hydroxo-Bridged Dicobalt(II) Complex as a Functional Model for Arginase and Catalyzed by Mononuclear Cobalt(II) Complexes","Journal of the American Chemical Society","1998","120","","105","113","10.1021/ja972524d","","","0.71073","MoKα","","0.1164","0.0646","","0.1528","0.1316","","","","1.043","1.147","1.147","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116657","25.5097","0.0005","17.9514","0.0004","14.151","0.0003","90","","90","","90","","6480.2","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C62 H84 Cl Co2 N7 O16 -","- C62 H64 Cl Co2 N7 O16 -","- C248 H256 Cl4 Co8 N28 O64 -","4","0.5","","Chuan He; Stephen J. Lippard","Aminoguanidinium Hydrolysis Effected by a Hydroxo-Bridged Dicobalt(II) Complex as a Functional Model for Arginase and Catalyzed by Mononuclear Cobalt(II) Complexes","Journal of the American Chemical Society","1998","120","","105","113","10.1021/ja972524d","","","0.71073","MoKα","","0.0722","0.0518","","0.1474","0.1349","","","","1.031","1.084","1.084","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116658","18.0846","0.0004","12.3862","0.0003","25.9939","0.0005","90","","102.779","0.001","90","","5678.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H62 Co2 N7 O15.5 -","- C50 H53 Co2 N7 O15.5 -","- C200 H212 Co8 N28 O62 -","4","1","","Chuan He; Stephen J. Lippard","Aminoguanidinium Hydrolysis Effected by a Hydroxo-Bridged Dicobalt(II) Complex as a Functional Model for Arginase and Catalyzed by Mononuclear Cobalt(II) Complexes","Journal of the American Chemical Society","1998","120","","105","113","10.1021/ja972524d","","","0.71073","MoKα","","0.0599","0.0462","","0.1517","0.1381","","","","1.095","1.149","1.149","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116659","13.3115","0.0004","15.7291","0.0005","22.0887","0.0007","90","","91.419","0.001","90","","4623.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H57 Co N4 O12.5 -","- C43 H46 Co N4 O12.5 -","- C172 H184 Co4 N16 O50 -","4","1","","Chuan He; Stephen J. Lippard","Aminoguanidinium Hydrolysis Effected by a Hydroxo-Bridged Dicobalt(II) Complex as a Functional Model for Arginase and Catalyzed by Mononuclear Cobalt(II) Complexes","Journal of the American Chemical Society","1998","120","","105","113","10.1021/ja972524d","","","0.71073","MoKα","","0.1033","0.0661","","0.2062","0.185","","","","1.108","1.213","1.213","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116660","10.8213","0.0004","22.4132","0.0008","17.0439","0.0006","90","","101.974","0.001","90","","4043.9","0.3","188","2","188","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H50.5 N4 O10.25 Zn -","- C42 H46.5 N4 O10.25 Zn -","- C168 H186 N16 O41 Zn4 -","4","1","","Chuan He; Stephen J. Lippard","Aminoguanidinium Hydrolysis Effected by a Hydroxo-Bridged Dicobalt(II) Complex as a Functional Model for Arginase and Catalyzed by Mononuclear Cobalt(II) Complexes","Journal of the American Chemical Society","1998","120","","105","113","10.1021/ja972524d","","","0.71073","MoKα","","0.0534","0.0381","","0.1058","0.0991","","","","1.031","1.096","1.096","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116661","28.1184","0.0005","9.5734","0.0002","14.8812","0.0001","90","","90","","90","","4005.85","0.11","198","2","198","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C46 H43 Cl2 Fe4 O4 P Ru -","- C46 H43 Cl2 Fe4 O4 P Ru -","- C184 H172 Cl8 Fe16 O16 P4 Ru4 -","4","1","","Mark D. Westmeyer; Mark A. Massa; Thomas B. Rauchfuss; Scott R. Wilson","Functionalization of Cp4Fe4(CO)4: Contrasts and Comparisons with Ferrocene","Journal of the American Chemical Society","1998","120","","114","123","10.1021/ja972557t","","","0.71073","MoKαlpha","","0.0704","0.046","","0.1178","0.0994","","","","1.042","0.986","0.986","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116662","30.471","0.003","9.5138","0.0008","15.0487","0.0013","90","","110.752","0.002","90","","4079.5","0.6","198","2","198","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C49 H40 Fe8 O9 -","- C49 H40 Fe8 O9 -","- C196 H160 Fe32 O36 -","4","1","","Mark D. Westmeyer; Mark A. Massa; Thomas B. Rauchfuss; Scott R. Wilson","Functionalization of Cp4Fe4(CO)4: Contrasts and Comparisons with Ferrocene","Journal of the American Chemical Society","1998","120","","114","123","10.1021/ja972557t","","","0.71073","MoKα","","0.1133","0.088","","0.185","0.1657","","","","1.303","1.318","1.318","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116663","23.1169","0.0013","15.0359","0.0008","21.0036","0.0012","90","","108.785","0.001","90","","6911.6","0.7","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C79 H78 B2 Cl2 F8 O2 P4 Pd3 -","- C79 H60 B2 Cl2 F8 P4 Pd3 -","- C316 H240 B8 Cl8 F32 P16 Pd12 -","4","0.5","","S. Kannan; Alan J. James; Paul R. Sharp","[Pd3(PPh3)4]2+, a New Palladium Triphenylphosphine Complex","Journal of the American Chemical Society","1998","120","","215","216","10.1021/ja973411x","","","0.7107","MoKα","","0.0654","0.048","","0.1411","0.1307","","","","1.072","1.121","1.121","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116664","8.395","0.01","8.475","0.015","16.053","0.03","87.96","0.1","89.9","0.1","60.54","0.1","994","3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H36 O2 -","- C25 H36 O2 -","- C50 H72 O4 -","2","1","","Lutz Fitjer; Christoph Steeneck; Said Gaini-Rahimi; Ulrike Schröder; Karl Justus; Peter Puder; Martin Dittmer; Carla Hassler; Jörg Weiser; Mathias Noltemeyer; Markus Teichert","A New Rotane Family: Synthesis, Structure, Conformation, and Dynamics of [3.4]-, [4.4]-, [5.4]-, and [6.4]Rotane1","Journal of the American Chemical Society","1998","120","","317","328","10.1021/ja973118x","","","0.71073","MoKα","","0.1314","0.093","","0.2896","0.2386","","","","1.043","1.116","1.116","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116665","13.619","0.003","8.23","0.002","12.452","0.003","90","","115.24","0.03","90","","1262.4","0.6","133","2","133","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 -","- C16 H24 -","- C64 H96 -","4","0.5","","Lutz Fitjer; Christoph Steeneck; Said Gaini-Rahimi; Ulrike Schröder; Karl Justus; Peter Puder; Martin Dittmer; Carla Hassler; Jörg Weiser; Mathias Noltemeyer; Markus Teichert","A New Rotane Family: Synthesis, Structure, Conformation, and Dynamics of [3.4]-, [4.4]-, [5.4]-, and [6.4]Rotane1","Journal of the American Chemical Society","1998","120","","317","328","10.1021/ja973118x","","","0.71073","MoKα","","0.0443","0.0393","","","0.102","0.1064","","","","","","1.074","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116666","22.859","0.005","9.513","0.002","14.725","0.003","90","","102.96","0.03","90","","3120.5","1.2","133","2","133","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 -","- C20 H30 -","- C160 H240 -","8","1","","Lutz Fitjer; Christoph Steeneck; Said Gaini-Rahimi; Ulrike Schröder; Karl Justus; Peter Puder; Martin Dittmer; Carla Hassler; Jörg Weiser; Mathias Noltemeyer; Markus Teichert","A New Rotane Family: Synthesis, Structure, Conformation, and Dynamics of [3.4]-, [4.4]-, [5.4]-, and [6.4]Rotane1","Journal of the American Chemical Society","1998","120","","317","328","10.1021/ja973118x","","","0.71073","MoKα","","0.0646","0.0496","","","0.1121","0.1228","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116667","7.666","0.002","7.983","0.001","8.208","0.002","69.08","0.01","74.08","0.01","76.6","0.01","446.17","0.17","133","2","133","2","","","","","","","","2","P -1","-P 1","2","","","","- C24 H36 -","- C24 H36 -","- C24 H36 -","1","0.5","","Lutz Fitjer; Christoph Steeneck; Said Gaini-Rahimi; Ulrike Schröder; Karl Justus; Peter Puder; Martin Dittmer; Carla Hassler; Jörg Weiser; Mathias Noltemeyer; Markus Teichert","A New Rotane Family: Synthesis, Structure, Conformation, and Dynamics of [3.4]-, [4.4]-, [5.4]-, and [6.4]Rotane1","Journal of the American Chemical Society","1998","120","","317","328","10.1021/ja973118x","","","0.71073","MoKα","","0.0476","0.0409","","","0.1098","0.1149","","","","","","1.047","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116668","4.4456","0.0008","8.407","0.002","9.671","0.003","71.34","0.02","89.28","0.02","87.8","0.02","342.19","0.15","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C4 N5 S3 -","- C4 N5 S3 -","- C8 N10 S6 -","2","1","","T. M. Barclay; A. W. Cordes; N. A. George; R. C. Haddon; M. E. Itkis; M. S. Mashuta; R. T. Oakley; G. W. Patenaude; R. W. Reed; J. F. Richardson; H. Zhang","Redox, Magnetic, and Structural Properties of 1,3,2-Dithiazolyl Radicals. A Case Study on the Ternary Heterocycle S3N5C4","Journal of the American Chemical Society","1998","120","","352","360","10.1021/ja973338a","","","0.7107","MolybdenumKα","","0.023","0.023","","0.035","0.035","","","","","1.65","1.65","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116669","7.489","0.007","9.593","0.004","10.759","0.006","65.77","0.04","74.1","0.06","74.64","0.06","667.6","0.8","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C4 N5 S3 -","- C8 N10 S6 -","- C16 N20 S12 -","2","1","","T. M. Barclay; A. W. Cordes; N. A. George; R. C. Haddon; M. E. Itkis; M. S. Mashuta; R. T. Oakley; G. W. Patenaude; R. W. Reed; J. F. Richardson; H. Zhang","Redox, Magnetic, and Structural Properties of 1,3,2-Dithiazolyl Radicals. A Case Study on the Ternary Heterocycle S3N5C4","Journal of the American Chemical Society","1998","120","","352","360","10.1021/ja973338a","","","0.7107","MolybdenumKα","","0.111","0.111","","0.137","0.137","","","","","5.55","5.55","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116670","10.2388","0.0008","11.8299","0.0007","13.1024","0.0012","115.066","0.007","94.083","0.008","108.405","0.006","1324.7","0.2","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H5 N5 O2 S4 -","- C10 H5 N5 O2 S4 -","- C40 H20 N20 O8 S16 -","4","2","","T. M. Barclay; A. W. Cordes; N. A. George; R. C. Haddon; M. E. Itkis; M. S. Mashuta; R. T. Oakley; G. W. Patenaude; R. W. Reed; J. F. Richardson; H. Zhang","Redox, Magnetic, and Structural Properties of 1,3,2-Dithiazolyl Radicals. A Case Study on the Ternary Heterocycle S3N5C4","Journal of the American Chemical Society","1998","120","","352","360","10.1021/ja973338a","","","0.7107","MolybdenumKα","","0.051","0.05","","0.053","0.052","","","","","1.14","1.14","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116671","20.428","0.007","21.657","0.006","9.443","0.001","93.5","0.02","101.26","0.02","108.38","0.02","3854.3","1.9","298","","288.2","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H70 Cl16 Na3 O19 Ru2 -","- C56 H64 Cl16 Na3 O19 Ru2 -","- C112 H128 Cl32 Na6 O38 Ru4 -","2","1","","Mitsuru Kondo; Mayumi Hamatani; Susumu Kitagawa; Cortlandt G. Pierpont; Kei Unoura","Novel Ligand-Unsupported Diruthenium Compounds, [Ru2(Cl4Cat)4]n- (Cl4Cat = Tetrachlorocatecholate; n=2 and 3)","Journal of the American Chemical Society","1998","120","","455","456","10.1021/ja973664q","","","0.7107","MoKα","","","0.0543","","","0.067","","","","","2.047","2.047","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4116672","12.176","0.003","12.958","0.003","9.3523","0.0006","93.19","0.01","102.49","0.01","103.48","0.02","1392.2","0.5","288.2","","288.2","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 Cl16 Na2 O14 Ru2 -","- C40 H36 Cl16 Na2 O14 Ru2 -","- C40 H36 Cl16 Na2 O14 Ru2 -","1","0.5","","Mitsuru Kondo; Mayumi Hamatani; Susumu Kitagawa; Cortlandt G. Pierpont; Kei Unoura","Novel Ligand-Unsupported Diruthenium Compounds, [Ru2(Cl4Cat)4]n- (Cl4Cat = Tetrachlorocatecholate; n=2 and 3)","Journal of the American Chemical Society","1998","120","","455","456","10.1021/ja973664q","","","0.7107","MoKα","","","0.0379","","","0.0457","","","","","1.938","1.938","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4116673","8.744","0.004","8.769","0.006","11.136","0.004","80.72","0.04","76.59","0.03","76.23","0.05","801.6","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H54 Hg Si2 -","- C30 H54 Hg Si2 -","- C30 H54 Hg Si2 -","1","0.5","","Peter B. Hitchcock; Julian M. Keates; Gerard A. Lawless","Mercurycyclopentadienyl Derivatives Are Not Always Fluxional","Journal of the American Chemical Society","1998","120","","599","600","10.1021/ja972093z","","","0.71073","MoKα","","0.0218","0.0218","","0.0554","0.0554","","","","1.018","1.018","1.018","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116674","8.94","0.01","14.023","0.02","14.042","0.022","92.01","0.12","95.91","0.11","98.5","0.11","1730","4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H27 Cl Hg Si -","- C15 H27 Cl Hg Si -","- C60 H108 Cl4 Hg4 Si4 -","4","2","","Peter B. Hitchcock; Julian M. Keates; Gerard A. Lawless","Mercurycyclopentadienyl Derivatives Are Not Always Fluxional","Journal of the American Chemical Society","1998","120","","599","600","10.1021/ja972093z","","","0.71073","MoKα","","0.128","0.081","","0.2311","0.1956","","","","1.006","1.059","1.059","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116675","25.6741","0.0002","11.996","0.0003","16.6122","0.0003","90","","101.218","0.002","90","","5018.58","0.16","133","2","133","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H35 B F4 O2 P Re -","- C22 H35 B F4 O2 P Re -","- C176 H280 B8 F32 O16 P8 Re8 -","8","2","","Charles P. Casey; John R. Nash; Chae S. Yi; Anthony D. Selmeczy; Steven Chung; Douglas R. Powell; Randy K. Hayashi","Kinetic Addition of Nucleophiles to η3-Propargyl Rhenium Complexes Occurs at the Central Carbon to Produce Rhenacyclobutenes","Journal of the American Chemical Society","1998","120","","722","733","10.1021/ja9729847","","","0.71073","MoKα","","0.0325","0.0316","","0.0785","0.0777","","","","1.022","1.03","1.03","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116676","18.131","0.002","12.6429","0.0009","9.044","0.003","90","","102.4","0.015","90","","2024.8","0.7","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N3 O2 S -","- C22 H25 N3 O2 S -","- C88 H100 N12 O8 S4 -","4","1","","Richard Berger; Joseph W. Ziller; David L. Van Vranken","Stereoselectivity of the Thia-Sommelet [2,3]-Dearomatization","Journal of the American Chemical Society","1998","120","","841","842","10.1021/ja973734t","","","1.54178","CuKα","","0.0515","0.041","","0.116","0.1075","","","","1.047","1.082","1.082","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116677","13.599","0.003","36.902","0.007","12.546","0.003","90","","113.11","0.03","90","","5791","3","160","2","160","2","","","","","","","see manuscript no. JA9731884-266","5","P 1 21/c 1","-P 2ybc","14","triacetylenic catenane","[2]-{[Cyclobis-(pyromellitimide-hexa-2,4-diyne)]-[heptaoxadiyne- [13.8]-1,5-naphthalenophane]}catenane","","- C68 H50 N4 O16 S -","- C68 H50 N4 O16 S -","- C272 H200 N16 O64 S4 -","4","1","","Darren G. Hamilton; Neil Feeder; Luca Prodi; Simon J. Teat; William Clegg; Jeremy K. M. Sanders","Tandem Hetero-Catenation: Templating and Self-Assembly in the Mutual Closure of Two Different Interlocking Rings","Journal of the American Chemical Society","1998","120","","1096","1097","10.1021/ja9731884","","","0.6879","synchrotron","","0.1036","0.0558","","0.1594","0.1387","","","","0.915","1.11","1.11","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116678","9.705","0.001","17.781","0.004","11.731","0.003","90","","101.14","0.02","90","","1986.2","0.7","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(acetylacetonato)(2-vinyl-N,N-dimethylaniline)ruthenium(II)","","- C20 H27 N O4 Ru -","- C20 H27 N O4 Ru -","- C80 H108 N4 O16 Ru4 -","4","1","","Martin A. Bennett; Graham A. Heath; David C. R. Hockless; Ivan Kovacik; Anthony C. Willis","Alkene Complexes of Divalent and Trivalent Ruthenium Stabilized by Chelation. Dependence of Coordinated Alkene Orientation on Metal Oxidation State","Journal of the American Chemical Society","1998","120","","932","941","10.1021/ja973282k","","","0.7107","MoKα","","0.0553","0.0334","","0.0377","0.0357","","","","1.928","2.126","2.126","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116679","11.892","0.003","11.735","0.003","14.649","0.004","90","","101.23","0.03","90","","2005.2","0.9","273.2","","273.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(acetylacetonato)(2-vinyl-N,N-dimethylaniline)ruthenium(II)","","- C20 H50 N O4 Ru -","- C20 H27 N O4 Ru -","- C80 H108 N4 O16 Ru4 -","4","1","","Martin A. Bennett; Graham A. Heath; David C. R. Hockless; Ivan Kovacik; Anthony C. Willis","Alkene Complexes of Divalent and Trivalent Ruthenium Stabilized by Chelation. Dependence of Coordinated Alkene Orientation on Metal Oxidation State","Journal of the American Chemical Society","1998","120","","932","941","10.1021/ja973282k","","","0.7107","MoKα","","0.0411","0.0295","","0.0214","0.021","","","","2.895","3.175","3.175","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116680","9.125","0.003","11.929","0.004","12.567","0.003","81.73","0.02","82.03","0.02","70.75","0.02","1271.9","0.7","293.2","","293.2","","","","","","","","","7","P -1","-P 1","2","","Bis(acetylacetonato)(2-vinyl-N,N-dimethylaniline)ruthenium(III) hexafluoroantimonate","","- C20 H27 F6 N O4 Ru Sb -","- C20 H27 F6 N O4 Ru Sb -","- C40 H54 F12 N2 O8 Ru2 Sb2 -","2","1","","Martin A. Bennett; Graham A. Heath; David C. R. Hockless; Ivan Kovacik; Anthony C. Willis","Alkene Complexes of Divalent and Trivalent Ruthenium Stabilized by Chelation. Dependence of Coordinated Alkene Orientation on Metal Oxidation State","Journal of the American Chemical Society","1998","120","","932","941","10.1021/ja973282k","","","0.7107","MoKα","","","0.036","","","0.036","","","","","1.16","1.16","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116681","9.059","0.004","16.084","0.007","11.835","0.006","90","","80.61","0.03","90","","1701.3","1.4","293","2","180","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 Cl Cr Ga N2 O5 -","- C11 H16 Cl Cr Ga N2 O5 -","- C44 H64 Cl4 Cr4 Ga4 N8 O20 -","4","1","","Roland A. Fischer; Markus M. Schulte; Jurij Weiss; Laszlo Zsolnai; Albrecht Jacobi; Gottfried Huttner; Gernot Frenking; Christian Boehme; Sergei F. Vyboishchikov","Transition Metal Coordinated Al(X)L2 and Ga(X)L2 Fragments","Journal of the American Chemical Society","1998","120","","1237","1248","10.1021/ja9716463","","","0.71073","MoKα","","0.0476","0.0368","","0.1176","0.1113","","","","1.242","1.291","1.291","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116682","23.99","0.006","9.044","0.003","15.871","0.004","90","","90","","90","","3443.5","1.7","293","2","200","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C12 H18 Al Cl N2 O5 W -","- C12 H18 Al Cl N2 O5 W -","- C96 H144 Al8 Cl8 N16 O40 W8 -","8","1","","Roland A. Fischer; Markus M. Schulte; Jurij Weiss; Laszlo Zsolnai; Albrecht Jacobi; Gottfried Huttner; Gernot Frenking; Christian Boehme; Sergei F. Vyboishchikov","Transition Metal Coordinated Al(X)L2 and Ga(X)L2 Fragments","Journal of the American Chemical Society","1998","120","","1237","1248","10.1021/ja9716463","","","0.71073","MoKα","","0.0911","0.0442","","0.0877","0.0739","","","","1.02","1.082","1.082","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116683","8.606","0.002","16.463","0.006","12.469","0.004","90","","93.88","0.02","90","","1762.6","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 Al N2 O5 W -","- C13 H21 Al N2 O5 W -","- C52 H84 Al4 N8 O20 W4 -","4","1","","Roland A. Fischer; Markus M. Schulte; Jurij Weiss; Laszlo Zsolnai; Albrecht Jacobi; Gottfried Huttner; Gernot Frenking; Christian Boehme; Sergei F. Vyboishchikov","Transition Metal Coordinated Al(X)L2 and Ga(X)L2 Fragments","Journal of the American Chemical Society","1998","120","","1237","1248","10.1021/ja9716463","","","0.71073","MoKα","","0.0344","0.0267","","0.065","0.0593","","","","1.061","1.095","1.095","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116684","30.319","0.002","24.0998","0.0014","26.2568","0.0015","90","","92.707","0.002","90","","19164","2","160","2","160","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C96 H240 Cd8 Cl16 N16 O76 S16 -","- C96 H208 Cd8 Cl13.882 N16 O65.528 S16 -","- C384 H832 Cd32 Cl55.528 N64 O262.112 S64 -","4","0.5","","Pilar Gonzàlez-Duarte; William Clegg; Isidre Casals; Joan Sola; Jordi Rius","Unprecedented Polycrystal Structure of a New Cadmium Thiolate Containing an Unusually Highly Charged [ClCd8{SCH(CH2CH2)2N(H)Me}16]15+ Core","Journal of the American Chemical Society","1998","120","","1260","1266","10.1021/ja972038q","","","0.71073","MoKα","","0.1238","0.0901","","0.3047","0.2492","","","","1.052","1.097","1.097","","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116685","8.397","0.001","12.957","0.001","11.823","0.002","90","","104.32","0.01","90","","1246.4","0.3","293.2","","293.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Atsuyoshi Ohno; Yoshiteru Ishikawa; Norimasa Yamazaki; Mutsuo Okamura; Yasushi Kawai","NAD(P)±NAD(P)H Models. 88. Stereoselection without Steric Effect but Controlled by Electronic Effect of a Carbonyl Group: Syn/Anti Reactivity Ratio, Kinetic Isotope Effect, and an Electron-Transfer Complex as a Reaction Intermediate","Journal of the American Chemical Society","1998","120","","1186","1192","10.1021/ja972804t","","","1.5418","CuKα","","0.0518","0.0471","","0.0832","0.0779","","","","1.641","1.631","1.631","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116686","5.1085","0.0002","8.4464","0.0004","9.0987","0.0004","98.298","0.002","96.627","0.002","104.739","0.002","370.92","0.03","293","2","298","2","","","","","","","Hydrothermal synthesis","4","P -1","-P 1","2","Copper(I) Fumarate","Copper(I) Fumarate'","","- C12 H6 Cu6 O12 -","- C12 H6 Cu6.002 O12 -","- C12 H6 Cu6.002 O12 -","1","0.5","","Dianna M. Young; Urs Geiser; Arthur J. Schultz; H. Hau Wang","Hydrothermal Synthesis of a Dense Metal-Organic Layered Framework That Contains Cu(I)-Olefinic Bonds, Cu2(O2CCHCHCO2)","Journal of the American Chemical Society","1998","120","","1331","1332","10.1021/ja973483o","","","0.71073","MoKα","","0.0834","0.0554","","0.1428","0.1288","","","","1.011","1.077","1.077","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116687","28.48","0.006","10.205","0.005","26.793","0.005","90","","123.07","0.01","90","","6526","4","298.2","","298.2","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 Br I0.5 N2 O Zn0.5 -","- C16 H17 Br I0.5 N2 O Zn0.125 -","- C256 H272 Br16 I8 N32 O16 Zn2 -","16","2","","Atsuyoshi Ohno; Yoshiteru Ishikawa; Norimasa Yamazaki; Mutsuo Okamura; Yasushi Kawai","NAD(P)±NAD(P)H Models. 88. Stereoselection without Steric Effect but Controlled by Electronic Effect of a Carbonyl Group: Syn/Anti Reactivity Ratio, Kinetic Isotope Effect, and an Electron-Transfer Complex as a Reaction Intermediate","Journal of the American Chemical Society","1998","120","","1186","1192","10.1021/ja972804t","","","1.5418","CuKα","","0.1189","0.0659","","0.0945","0.0826","","","","1.431","1.588","1.588","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116688","11.206","0.003","12.282","0.002","10.965","0.003","90","","90","","90","","1509.1","0.6","293.2","","293.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O3 S -","- C17 H20 O3 S -","- C68 H80 O12 S4 -","4","1","","Jian Zhang; Shinichi Saito; Toru Koizumi","Acidic and Basic Hydrolysis of an Optically Pure Spiro-λ4-sulfurane: Completely Opposite Stereochemical Outcome","Journal of the American Chemical Society","1998","120","","1631","1632","10.1021/ja973039l","","","0.7107","MoKα","","","0.0424","","","0.044","","","","","0.469","0.469","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116689","13.124","0.003","14.72","0.003","8.659","0.002","90","","90","","90","","1672.8","0.6","293.2","","293.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O4 S -","- C17 H20 O4 S -","- C68 H80 O16 S4 -","4","1","","Jian Zhang; Shinichi Saito; Toru Koizumi","Acidic and Basic Hydrolysis of an Optically Pure Spiro-λ4-sulfurane: Completely Opposite Stereochemical Outcome","Journal of the American Chemical Society","1998","120","","1631","1632","10.1021/ja973039l","","","0.7107","MoKα","","","0.0419","","","0.041","","","","","0.83","0.83","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116690","6.961","0.004","10.993","0.003","10.765","0.004","90","","103.04","0.04","90","","802.5","0.6","293.2","","293.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 O4 S -","- C17 H20 O4 S -","- C34 H40 O8 S2 -","2","1","","Jian Zhang; Shinichi Saito; Toru Koizumi","Acidic and Basic Hydrolysis of an Optically Pure Spiro-λ4-sulfurane: Completely Opposite Stereochemical Outcome","Journal of the American Chemical Society","1998","120","","1631","1632","10.1021/ja973039l","","","0.7107","MoKα","","","0.0408","","","0.0423","","","","","0.902","0.902","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116691","20.5","0.008","9.826","0.005","11.517","0.003","90","","90","","90","","2319.9","1.6","110.2","","110.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 B F4 P2 Rh -","- C19 H36 B F4 P2 Rh -","- C76 H144 B4 F16 P8 Rh4 -","4","1","","Tsuneo Imamoto; Junko Watanabe; Yoshiyuki Wada; Hideki Masuda; Hironari Yamada; Hideyuki Tsuruta; Satoru Matsukawa; Kentaro Yamaguchi","P-Chiral Bis(trialkylphosphine) Ligands and Their Use in Highly Enantioselective Hydrogenation Reactions","Journal of the American Chemical Society","1998","120","","1635","1636","10.1021/ja973423i","","","0.7107","MoKα","","","0.032","","","0.0399","","","","","1.488","1.488","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116692","10.0344","0.0003","18.0759","0.0005","20.3609","0.0006","90","","90.797","0.002","90","","3692.72","0.19","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 B N2 -","- C48 H48 B N2 -","- C192 H192 B4 N8 -","4","1","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Effects of Bridge Redox State Levels on the Electron Transfer and Optical Properties of Intervalence Compounds with Hydrazine Charge-Bearing Units","Journal of the American Chemical Society","1998","120","","1924","1925","10.1021/ja972760o","","","0.71073","MoKα","","0.0695","0.0468","","0.1077","0.0965","","","","1.024","1.061","1.061","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116693","13.3666","0.0002","11.557","0.0003","12.6759","0.0003","90","","105.455","0.002","90","","1887.34","0.07","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 -","- C23.99 H27.981 N1.998 -","- C95.96 H111.924 N7.992 -","4","1","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Effects of Bridge Redox State Levels on the Electron Transfer and Optical Properties of Intervalence Compounds with Hydrazine Charge-Bearing Units","Journal of the American Chemical Society","1998","120","","1924","1925","10.1021/ja972760o","","","0.71073","MoKα","","0.1037","0.0635","","0.1832","0.1664","","","","1.038","1.243","1.243","","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116694","17.7522","0.0006","17.3529","0.0005","23.8798","0.0007","90","","92.221","0.001","90","","7350.7","0.4","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H64 Cl6 Cu Fe2 I P4 Ru -","- C76 H64 Cl6 Cu Fe2 I P4 Ru -","- C304 H256 Cl24 Cu4 Fe8 I4 P16 Ru4 -","4","1","","Yongbao Zhu; Olivier Clot; Michael O. Wolf; Glenn P. A. Yap","Effect of Ancillary Ligands on Ru(II) on Electronic Delocalization in Ruthenium(II) Bisferrocenylacetylide Complexes","Journal of the American Chemical Society","1998","120","","1812","1821","10.1021/ja9732486","","","0.71073","MoKα","","0.0642","0.0524","","0.1325","0.1249","","","","1.075","1.107","1.107","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116695","11.0317","0.0002","9.8241","0.0002","23.0161","0.0001","90","","93.117","0.001","90","","2490.71","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H72 Fe2 O2 P2 Ru -","- C50 H72 Fe2 O2 P2 Ru -","- C100 H144 Fe4 O4 P4 Ru2 -","2","0.5","","Yongbao Zhu; Olivier Clot; Michael O. Wolf; Glenn P. A. Yap","Effect of Ancillary Ligands on Ru(II) on Electronic Delocalization in Ruthenium(II) Bisferrocenylacetylide Complexes","Journal of the American Chemical Society","1998","120","","1812","1821","10.1021/ja9732486","","","0.71073","MoKα","","0.0402","0.0344","","0.1237","0.1174","","","","1.006","1.013","1.013","","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116696","15.688","0.002","17.534","0.003","9.305","0.0009","90","","90","","90","","2559.6","0.6","293.2","","293.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H6 O5 S2 W -","- C9 H6 O5 S2 W -","- C72 H48 O40 S16 W8 -","8","1","","Richard D. Adams; J. W. Long; Joseph L. Perrin","A New Route to Dihydrodithiins by a Catalytic Reaction of Vinylthiiranes with W(CO)5(NCMe)","Journal of the American Chemical Society","1998","120","","1922","1923","10.1021/ja973880z","","","0.7107","MoKalpha","","","0.022","","","0.0229","","","","","1.381","1.381","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116697","9.8974","0.0012","9.9883","0.0014","20.254","0.002","95.745","0.01","92.324","0.008","117.356","0.008","1760.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","/oxo(tris(N-tert-butylanilido)molybdenum(V))","","- C36 H54 Mo N3 O -","- C36 H54 Mo N3 O -","- C72 H108 Mo2 N6 O2 -","2","1","","Adam R. Johnson; William M. Davis; Christopher C. Cummins; Scafford Serron; Steven P. Nolan; Djamaladdin G. Musaev; Keiji Morokuma","Four-Coordinate Molybdenum Chalcogenide Complexes Relevant to Nitrous Oxide N-N Bond Cleavage by Three-Coordinate Molybdenum(III): Synthesis, Characterization, Reactivity, and Thermochemistry","Journal of the American Chemical Society","1998","120","","2071","2085","10.1021/ja971491z","","","0.71073","MoKα","","0.0361","0.0341","","0.0959","0.0937","","","","1.053","1.053","1.053","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116698","13.9099","0.0008","12.8972","0.0008","19.986","0.0012","90","","93.058","0.001","90","","3580.4","0.4","188","2","188","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","/sulfido(tris(N-tert-butylanilido)molybdenum(V))","","- C36 H54 Mo N3 S -","- C36 H54 Mo N3 S -","- C144 H216 Mo4 N12 S4 -","4","1","","Adam R. Johnson; William M. Davis; Christopher C. Cummins; Scafford Serron; Steven P. Nolan; Djamaladdin G. Musaev; Keiji Morokuma","Four-Coordinate Molybdenum Chalcogenide Complexes Relevant to Nitrous Oxide N-N Bond Cleavage by Three-Coordinate Molybdenum(III): Synthesis, Characterization, Reactivity, and Thermochemistry","Journal of the American Chemical Society","1998","120","","2071","2085","10.1021/ja971491z","","","0.71073","MoKα","","0.0688","0.0527","","0.1289","0.1015","","","","1.168","1.211","1.211","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116699","13.9372","0.0007","12.8821","0.0007","19.951","0.001","90","","92.906","0.001","90","","3577.4","0.3","159","2","159","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","/selenide(tris(N-tert-butylanilido)molybdenum(V))","","- C36 H54 Mo N3 Se -","- C36 H54 Mo N3 Se -","- C144 H216 Mo4 N12 Se4 -","4","1","","Adam R. Johnson; William M. Davis; Christopher C. Cummins; Scafford Serron; Steven P. Nolan; Djamaladdin G. Musaev; Keiji Morokuma","Four-Coordinate Molybdenum Chalcogenide Complexes Relevant to Nitrous Oxide N-N Bond Cleavage by Three-Coordinate Molybdenum(III): Synthesis, Characterization, Reactivity, and Thermochemistry","Journal of the American Chemical Society","1998","120","","2071","2085","10.1021/ja971491z","","","0.71073","MoKα","","0.0466","0.0391","","0.1022","0.0976","","","","1.285","1.322","1.322","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116700","14.108","0.002","12.762","0.003","20.083","0.004","90","","92.558","0.011","90","","3612.3","1.2","161","2","161","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","/telluride(tris(N-tert-butylanilido)molybdenum(V))","","- C36 H54 Mo N3 Te -","- C36 H54 Mo N3 Te -","- C144 H216 Mo4 N12 Te4 -","4","1","","Adam R. Johnson; William M. Davis; Christopher C. Cummins; Scafford Serron; Steven P. Nolan; Djamaladdin G. Musaev; Keiji Morokuma","Four-Coordinate Molybdenum Chalcogenide Complexes Relevant to Nitrous Oxide N-N Bond Cleavage by Three-Coordinate Molybdenum(III): Synthesis, Characterization, Reactivity, and Thermochemistry","Journal of the American Chemical Society","1998","120","","2071","2085","10.1021/ja971491z","","","0.71073","MoKα","","0.0292","0.0256","","0.0682","0.0634","","","","1.008","1.009","1.009","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116701","14.6441","0.0003","15.27","0.0002","20.5956","0.0004","81.199","0.001","77.837","0.001","67.653","0.001","4150.44","0.13","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","carbonsulfide(tris(N-tert-butylanilido)molybdenum dimer","","- C81 H119 Mo2 N6 O2 S -","- C80.51 H99 Mo2 N6 O2 S -","- C161.02 H198 Mo4 N12 O4 S2 -","2","1","","Adam R. Johnson; William M. Davis; Christopher C. Cummins; Scafford Serron; Steven P. Nolan; Djamaladdin G. Musaev; Keiji Morokuma","Four-Coordinate Molybdenum Chalcogenide Complexes Relevant to Nitrous Oxide N-N Bond Cleavage by Three-Coordinate Molybdenum(III): Synthesis, Characterization, Reactivity, and Thermochemistry","Journal of the American Chemical Society","1998","120","","2071","2085","10.1021/ja971491z","","","0.71073","MoKα","","0.127","0.1035","","0.2697","0.2107","","","","1.209","1.268","1.268","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116702","7.944","0.002","16.238","0.003","25.64","0.005","90","","90","","90","","3307.4","1.2","130","2","130","2","","","","","","","","3","P n a 21","P 2c -2n","33","2,6-Trip~2~C~6~H~3~In","","","- C36 H49.18 In0.82 -","- C36 H49.186 In0.814 -","- C144 H196.744 In3.256 -","4","1","","Scott T. Haubrich; Philip P. Power","Monomeric InC6H3-2,6-Trip2 (Trip = -C6H2-2,4,6-i-Pr3) and Its Manganese Complex (η5-C5H5)(CO)2MnInC6H3-2,6-Trip2: One-Coordinate Indium in the Solid State","Journal of the American Chemical Society","1998","120","","2202","2203","10.1021/ja973479c","","","0.71073","MoKα","","0.111","0.052","","0.1483","0.0993","","","","1.039","1.114","1.114","","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4116703","33.689","0.002","3.8834","0.0002","11.1055","0.0005","90","","101.093","0.002","90","","1425.76","0.13","160","1","160","1","","","","","","","See mauscript JA9735968-30","3","C 1 2/c 1","-C 2yc","15","BDT","α,α'-bis(dithieno[3,2-b:2',3'-d]thiophene","","- C16 H6 S6 -","- C16 H6 S6 -","- C64 H24 S24 -","4","0.5","","Xiao-Chang Li; Henning Sirringhaus; Francis Garnier; Andrew B. Holmes; Stephen C. Moratti; Neil Feeder; William Clegg; Simon J. Teat; Richard H. Friend","A Highly π-Stacked Organic Semiconductor for Thin Film Transistors Based on Fused Thiophenes","Journal of the American Chemical Society","1998","120","","2206","2207","10.1021/ja9735968","","","0.6879","Synchrotron","","0.0556","0.0478","","0.1314","0.1265","","","","1.043","1.112","1.112","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116704","18.881","0.002","7.325","0.003","9.129","0.001","90","","123.45","0.01","90","","1053.4","0.5","20","1","20","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DL-Aspartic Acid","","","- C4 H7 N O4 -","- C4 H7 N O4 -","- C32 H56 N8 O32 -","8","1","","Ralf Flaig; Tibor Koritsanszky; Dieter Zobel; Peter Luger","Topological Analysis of the Experimental Electron Densities of Amino Acids. 1.d,l-Aspartic Acid at 20 K","Journal of the American Chemical Society","1998","120","","2227","2238","10.1021/ja972620e","","","0.5609","AgKα","","0.0614","0.0313","","0.0983","0.0876","","","","1.039","1.121","1.121","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116705","8.1278","0.0007","29.447","0.006","10.601","0.004","90","","108.61","0.03","90","","2404.6","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(Me5CpMo)2Cl2(B2H6)","","- C20 H35.19 B1.73 Cl2.27 Mo2 -","- C20 H35.16 B1.72 Cl2.28 Mo2 -","- C80 H140.64 B6.88 Cl9.12 Mo8 -","4","2","","Simon Aldridge; Maoyu Shang; Thomas P. Fehlner","Synthesis of Novel Molybdaboranes from (η5-C5R5)MoCln Precursors (R = H, Me; n= 1, 2, 4)","Journal of the American Chemical Society","1998","120","","2586","2598","10.1021/ja973720n","","","0.71073","MoKα","","0.0982","0.0683","","0.1745","0.1466","","","","1.094","1.081","1.081","","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4116706","16.5158","0.001","13.6408","0.0008","10.426","0.002","90","","90","","90","","2348.9","0.5","180.2","","180.2","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H33 N Nb O3 P3 Si -","- C14 H32.5 N0.5 Nb0.5 O2.5 P2.5 Si0.5 -","- C56 H130 N2 Nb2 O10 P10 Si2 -","4","0.5","","P. James Daff; Peter Legzdins; Steven J. Rettig","The First Nitrosyl Complexes of Niobium and Tantalum","Journal of the American Chemical Society","1998","120","","2688","2689","10.1021/ja9738079","","","0.7107","MoKα","","0.098","","","0.0717","","","","","2.225","","","2.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116707","9.7532","0.0014","17.5506","0.0015","14.2268","0.0005","90","","101.539","0.0008","90","","2386","0.4","180.2","","180.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H33 N O3 P3 Si Ta -","- C15 H33 N O3 P3 Si Ta -","- C60 H132 N4 O12 P12 Si4 Ta4 -","4","1","","P. James Daff; Peter Legzdins; Steven J. Rettig","The First Nitrosyl Complexes of Niobium and Tantalum","Journal of the American Chemical Society","1998","120","","2688","2689","10.1021/ja9738079","","","0.7107","MoKα","","0.0963","","","0.105","","","","","2.035","","","2.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116708","6.152","0.001","12.148","0.005","17.817","0.006","90","","90","","90","","1331.5","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(N) methano-carba-AZT","","","- C12 H15 N5 O3 -","- C12 H15 N5 O3 -","- C48 H60 N20 O12 -","4","1","","Victor E. Marquez; Abdallah Ezzitouni; Pamela Russ; Maqbool A. Siddiqui; Harry Ford; Ron J. Feldman; Hiroaki Mitsuya; Clifford George; Joseph J. Barchi","HIV-1 Reverse Transcriptase Can Discriminate between Two Conformationally Locked Carbocyclic AZT Triphosphate Analogues","Journal of the American Chemical Society","1998","120","","2780","2789","10.1021/ja973535+","","","1.54178","CuKα","","0.0478","0.0429","","0.1197","0.1149","","","","1.026","1.046","1.046","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116709","17.552","0.003","22.661","0.006","6.67","0.001","90","","90","","90","","2653","0.9","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S) methano-carba-AZT","","","- C12 H15 N5 O3 -","- C12 H15 N5 O3 -","- C96 H120 N40 O24 -","8","2","","Victor E. Marquez; Abdallah Ezzitouni; Pamela Russ; Maqbool A. Siddiqui; Harry Ford; Ron J. Feldman; Hiroaki Mitsuya; Clifford George; Joseph J. Barchi","HIV-1 Reverse Transcriptase Can Discriminate between Two Conformationally Locked Carbocyclic AZT Triphosphate Analogues","Journal of the American Chemical Society","1998","120","","2780","2789","10.1021/ja973535+","","","1.54178","CuKα","","0.0829","0.0531","","0.1462","0.1253","","","","1.049","1.089","1.089","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116710","14.464","0.004","12.007","0.004","18.518","0.005","90","","110.17","0.02","90","","3018.8","1.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Cl F6 N Ni P4 -","- C24 H32 Cl F5.98 N Ni P4 -","- C96 H128 Cl4 F23.92 N4 Ni4 P16 -","4","1","","Laura Crociani; Francesco Tisato; Fiorenzo Refosco; Giuliano Bandoli; Benedetto Corain; Luigi M. Venanzi","Synthesis and Characterization of the First Mononuclear NiII Phosphorane Imino Complex","Journal of the American Chemical Society","1998","120","","2973","2974","10.1021/ja9738440","","","0.71073","MoKα","","0.108","0.0627","","0.2022","0.1699","","","","1.16","1.19","1.19","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116711","14.3763","0.0008","16.6844","0.0015","15.0123","0.0012","90","","100.424","0.006","90","","3541.4","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 F6 P3 W -","- C36 H42 F6 P3 W -","- C144 H168 F24 P12 W4 -","4","1","","Brett Pleune; Rinaldo Poli; James C. Fettinger","Synthesis and Structure of the Stable Paramagnetic Cyclopentadienyl Polyhydride Complexes [Cp*MH3(dppe)]+ (M = Mo, W): Stronger M-H Bonds upon Oxidation","Journal of the American Chemical Society","1998","120","","3257","3258","10.1021/ja9729488","","","0.71073","MoKα","","0.0713","0.0412","","0.0861","0.0767","","","","1.076","1.131","1.131","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116712","12.9815","0.0012","13.6426","0.0012","14.1406","0.0015","71.576","0.01","62.702","0.005","77.082","0.008","2102.2","0.4","298","2","298","2","","","","","","","","9","P -1","-P 1","2","","","","- C4 H6 B Cl4 F6 N3 O6 P2 S2 -","- C4 H6 B Cl4 F6 N3 O6 P2 S2 -","- C16 H24 B4 Cl16 F24 N12 O24 P8 S8 -","4","2","","Derek P. Gates; Mark Edwards; Louise M. Liable-Sands; Arnold L. Rheingold; Ian Manners","Attempted Generation of the Thionylphosphazene Cation [NSO(NPCl2)2]+: Novel Reactivity and the Discovery of an Ambient Temperature Ring-Opening Polymerization Route to Poly(thionylphosphazenes)","Journal of the American Chemical Society","1998","120","","3249","3250","10.1021/ja9740475","","","0.71073","MoKα","","0.0723","0.0521","","0.1786","0.1524","","","","0.977","1.063","1.063","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116713","24.445","0.005","14.017","0.003","46.038","0.009","90","","91.32","0.03","90","","15771","6","293","2","193","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","Rb12Si17","Rb12Si17","","- Rb12 Si17 -","- Rb12 Si17 -","- Rb192 Si272 -","16","4","","Virginie Quéneau; Evgeny Todorov; Slavi C. Sevov","Synthesis and Structure of Isolated Silicon Clusters of Nine Atoms","Journal of the American Chemical Society","1998","120","","3263","3264","10.1021/ja980044w","","","0.71073","MoKα","","0.2656","0.1758","","0.3444","0.306","","","","1.152","1.387","1.387","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116714","16.051","0.003","17.43","0.004","17.284","0.002","90","","115.97","0.01","90","","4347.3","1.4","213","2","213","2","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","","","- C96 H106 Mo4 N12 -","- C96 H106 Mo4 N12 -","- C192 H212 Mo8 N24 -","2","0.5","","F. Albert Cotton; Lee M. Daniels; Glenn T. Jordan; Chun Lin; Carlos A. Murillo","Tetranuclear Complexes Containing Quadruply Bonded Dimolybdenum Units Joined by μ-Hydride Ions","Journal of the American Chemical Society","1998","120","","3398","3401","10.1021/ja973947i","","","0.71073","MoKα","","0.0864","0.0577","","0.1578","0.1306","","","","1.073","1.081","1.081","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116715","13.487","0.002","13.665","0.002","14.354","0.002","110.28","0.01","94.9","0.01","108.55","0.01","2294.9","0.6","213","2","213","2","","","","","","","synthesis","5","P -1","-P 1","2","","","","- C96 H106 Mo4 N12 O12 -","- C96.02 H92 Mo4 N12 O12 -","- C96.02 H92 Mo4 N12 O12 -","1","0.5","","F. Albert Cotton; Lee M. Daniels; Glenn T. Jordan; Chun Lin; Carlos A. Murillo","Tetranuclear Complexes Containing Quadruply Bonded Dimolybdenum Units Joined by μ-Hydride Ions","Journal of the American Chemical Society","1998","120","","3398","3401","10.1021/ja973947i","","","0.71073","MoKα","","0.0525","0.0451","","0.1141","0.1061","","","","1.118","1.112","1.112","","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4116716","20.443","0.003","20.443","0.003","20.443","0.003","90","","90","","90","","8543","2","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C24 H58 Cl4 Cu3 N12 O19 -","- C24 H54 Cl4 Cu3 N12 O19.005 -","- C192 H432 Cl32 Cu24 N96 O152.04 -","8","0.666667","","Myunghyun Paik Suh; Mi Young Han; Jea Ho Lee; Kil Sik Min; Changbong Hyeon","One-Pot Template Synthesis and Properties of a Molecular Bowl: Dodecaaza Macrotetracycle with μ3-Oxo and μ3-Hydroxo Tricopper(II) Cores","Journal of the American Chemical Society","1998","120","","3819","3820","10.1021/ja9721780","","","0.71073","MoKα","","0.1029","0.0432","","0.1131","0.0927","","","","1.031","1.072","1.072","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116717","20.447","0.002","20.447","0.002","20.447","0.002","90","","90","","90","","8548.5","1.4","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C24 H58 Cl5 Cu3 N12 O20.5 -","- C24 H55 Cl5 Cu3 N12 O20.56 -","- C192 H440 Cl40 Cu24 N96 O164.48 -","8","0.666667","","Myunghyun Paik Suh; Mi Young Han; Jea Ho Lee; Kil Sik Min; Changbong Hyeon","One-Pot Template Synthesis and Properties of a Molecular Bowl: Dodecaaza Macrotetracycle with μ3-Oxo and μ3-Hydroxo Tricopper(II) Cores","Journal of the American Chemical Society","1998","120","","3819","3820","10.1021/ja9721780","","","0.71073","MoKα","","0.0743","0.0536","","0.1397","0.1272","","","","1.094","1.147","1.147","","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4116718","13.8032","0.0002","15.8305","0.0003","19.3507","0.0005","81.389","0.001","83.607","0.001","66.656","0.001","3832.16","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H64 B3 F12 Mn4 N17 O6 -","- C66 H64.28 B3 F12 Mn4 N17.35 O6 -","- C132 H128.56 B6 F24 Mn8 N34.7 O12 -","2","1","","Christopher E. Dubé; David W. Wright; Samudranil Pal; Peter J. Bonitatebus; William H. Armstrong","Tetranuclear Manganese-Oxo Aggregates Relevant to the Photosynthetic Water Oxidation Center. Crystal Structure, Spectroscopic Properties and Reactivity of Adamantane-Shaped [Mn4O6(bpea)4]4+ and the Reduced Mixed-Valence Analog [Mn4O6(bpea)4]3+","Journal of the American Chemical Society","1998","120","","3704","3716","10.1021/ja973668v","","","0.71073","MoKα","","0.1242","0.1013","","0.2435","0.2197","","","","1.19","1.257","1.257","","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4116719","13.2629","0.0002","16.0216","0.0002","20.6029","0.0003","87.626","0.001","84.723","0.001","67.17","","4017.82","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H66 Cl4 Mn4 N17 O22 -","- C66 H66 Cl4 Mn4 N17 O22 -","- C132 H132 Cl8 Mn8 N34 O44 -","2","1","","Christopher E. Dubé; David W. Wright; Samudranil Pal; Peter J. Bonitatebus; William H. Armstrong","Tetranuclear Manganese-Oxo Aggregates Relevant to the Photosynthetic Water Oxidation Center. Crystal Structure, Spectroscopic Properties and Reactivity of Adamantane-Shaped [Mn4O6(bpea)4]4+ and the Reduced Mixed-Valence Analog [Mn4O6(bpea)4]3+","Journal of the American Chemical Society","1998","120","","3704","3716","10.1021/ja973668v","","","0.71073","MoKα","","0.1099","0.0981","","0.2667","0.2539","","","","1.313","1.341","1.341","","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4116720","8.37","0.002","9.473","0.002","9.755","0.003","101.29","0.02","102.87","0.02","90.46","0.02","738.4","0.3","293","2","293","2","","","","","","","synthesized","3","P -1","-P 1","2","","(±)-2-benzoyl-4-O-acetyl-myo-inositol-1,3,5-orthoformate","","- C16 H16 O8 -","- C16 H16 O8 -","- C32 H32 O16 -","2","1","","Thoniyot Praveen; Uttamkumar Samanta; Tanya Das; Mysore S. Shashidhar; Pinak Chakrabarti","Reactivity Controlled by Lattice Interactions in Crystal: Intermolecular Acyl Transfer in (\±)-2,4-Di-O-benzoyl-myo-inositol 1,3,5-Orthoformate","Journal of the American Chemical Society","1998","120","","3842","3845","10.1021/ja9731332","","","0.7093","MoKα","","0.0502","0.0466","","0.1325","0.1296","","","","1.057","1.094","1.094","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116721","16.674","0.005","9.822","0.002","22.533","0.005","90","","90.7","0.02","90","","3690","1.6","293","2","293","2","","","","","","","synthesized","3","P 1 21/c 1","-P 2ybc","14","","(±)-2,4-di-O-benzoyl-myo-inositol-1,3,5-orthoformate","","- C21 H18 O8 -","- C21 H18 O8 -","- C168 H144 O64 -","8","2","","Thoniyot Praveen; Uttamkumar Samanta; Tanya Das; Mysore S. Shashidhar; Pinak Chakrabarti","Reactivity Controlled by Lattice Interactions in Crystal: Intermolecular Acyl Transfer in (\±)-2,4-Di-O-benzoyl-myo-inositol 1,3,5-Orthoformate","Journal of the American Chemical Society","1998","120","","3842","3845","10.1021/ja9731332","","","0.7093","MoKα","","0.0928","0.0604","","0.1935","0.1775","","","","1.068","1.269","1.269","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116722","9.2477","0.0001","11.9368","0.0002","18.2652","0.0003","88.336","0.001","88.147","0.001","71.989","0.001","1916.07","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","TpNPhHCl2","","","- C15 H16 B Cl2 N7 Os -","- C15 H16 B Cl2 N7 Os -","- C60 H64 B4 Cl8 N28 Os4 -","4","2","","Thomas J. Crevier; James M. Mayer","Direct Attack of Phenyl Anion at an Electrophilic Osmium-Nitrido Ligand","Journal of the American Chemical Society","1998","120","","5595","5596","10.1021/ja980548u","","","0.7107","MoKα","","0.0493","0.046","","","0.1212","0.1287","","","","","","0.905","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116723","13.614","0.009","18.081","0.006","16.437","0.009","90","","91.58","0.03","90","","4045","4","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetrahydrofurantris(N-tert-butyl-3,5-dimethyl-anilido)uranium(III)","","- C40 H62 N3 O U -","- C40 H62 N3 O U -","- C160 H248 N12 O4 U4 -","4","1","","Aaron L. Odom; Polly L. Arnold; Christopher C. Cummins","Heterodinuclear Uranium/Molybdenum Dinitrogen Complexes","Journal of the American Chemical Society","1998","120","","5836","5837","10.1021/ja980095t","","","0.71073","MoKα","","0.1571","0.0681","","0.1655","0.1164","","","","1.064","1.112","1.112","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116724","10.9037","0.0002","15.6529","0.0002","20.3828","0.0004","71.657","0.001","89.098","0.001","76.25","","3200.85","0.1","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","tris(N-tert-butyl-3,5-dimethylanilido)uranium-m-dinitrogen- tris(N-tert-butyl-anilido)molybdenum","","- C66 H96 Mo N8 U -","- C66 H96 Mo N8 U -","- C132 H192 Mo2 N16 U2 -","2","1","","Aaron L. Odom; Polly L. Arnold; Christopher C. Cummins","Heterodinuclear Uranium/Molybdenum Dinitrogen Complexes","Journal of the American Chemical Society","1998","120","","5836","5837","10.1021/ja980095t","","","0.71073","MoKα","","0.0768","0.061","","0.1401","0.1255","","","","1.235","1.194","1.194","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116725","15.0111","0.0003","18.5595","0.0002","20.2429","0.0004","112.704","0.001","97.412","0.001","109.373","0.001","4689.1","0.16","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","tris(N-tert-butyl-3,5-dimethylanilido)uranium-m-dinitrogen -tris(N-adamantyl-3,5-dimethyl-anilido)molybdenum","","- C100 H150 Mo N8 U -","- C100 H150 Mo N8 U -","- C200 H300 Mo2 N16 U2 -","2","1","","Aaron L. Odom; Polly L. Arnold; Christopher C. Cummins","Heterodinuclear Uranium/Molybdenum Dinitrogen Complexes","Journal of the American Chemical Society","1998","120","","5836","5837","10.1021/ja980095t","","","0.71073","MoKα","","0.1008","0.0991","","0.2255","0.2203","","","","1.416","1.416","1.416","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116726","25.718","0.002","5.733","0.001","6.557","0.001","90","","90","","90","","966.8","0.2","218","2","218","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H8 F I O2 -","- C10 H8 F I O2 -","- C40 H32 F4 I4 O8 -","4","1","","Hermann Irngartinger; Stefan Strack","Electron Density Distribution in a 1,2-Difluorinated Cubane Derivative","Journal of the American Chemical Society","1998","120","","5818","5819","10.1021/ja980514m","","","0.71073","MoKα","","0.028","0.0238","","0.0846","0.0661","","","","1.161","1.14","1.14","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116727","6.0559","0.0005","6.5745","0.0009","10.593","0.002","91.74","0.01","101.801","0.008","91.687","0.009","412.38","0.1","218","","218","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 F2 O2 -","- C10 H8 F2 O2 -","- C20 H16 F4 O4 -","2","1","","Hermann Irngartinger; Stefan Strack","Electron Density Distribution in a 1,2-Difluorinated Cubane Derivative","Journal of the American Chemical Society","1998","120","","5818","5819","10.1021/ja980514m","","","0.71073","Mo-Kα","","","0.027","","","0.061","","","","","2.301","2.301","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116728","13.798","0.003","6.489","0.002","5.8854","0.0014","90","","92.38","0.02","90","","526.5","0.2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H11 F O4 -","- C12 H11 F O4 -","- C24 H22 F2 O8 -","2","0.25","","Hermann Irngartinger; Stefan Strack","Electron Density Distribution in a 1,2-Difluorinated Cubane Derivative","Journal of the American Chemical Society","1998","120","","5818","5819","10.1021/ja980514m","","","0.71073","MoKα","","0.0519","0.0451","","0.1396","0.1338","","","","1.092","1.142","1.142","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116729","7.642","0.003","17.477","0.006","6.728","0.003","99.49","0.03","104.9","0.03","83.2","0.03","853.8","0.6","293.2","","566.2","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cl I2 S16 -","- C22 H16 Cl0.5 I2 S16 -","- C22 H16 Cl0.5 I2 S16 -","1","0.5","","Hiroshi M. Yamamoto; Jun-Ichi Yamaura; Reizo Kato","Multicomponent Molecular Conductors with Supramolecular Assembly: Iodine-Containing Neutral Molecules as Building Blocks","Journal of the American Chemical Society","1998","120","","5905","5913","10.1021/ja980024u","","","0.7107","MoKα","","","0.0953","","","0.0926","","","","","7.182","7.182","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116730","7.743","0.001","17.651","0.002","6.739","0.009","99.82","0.01","106.9","0.01","82.39","0.01","865","1.2","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Br I2 S16 -","- C22 H16 Br0.5 I2 S16 -","- C22 H16 Br0.5 I2 S16 -","1","0.5","","Hiroshi M. Yamamoto; Jun-Ichi Yamaura; Reizo Kato","Multicomponent Molecular Conductors with Supramolecular Assembly: Iodine-Containing Neutral Molecules as Building Blocks","Journal of the American Chemical Society","1998","120","","5905","5913","10.1021/ja980024u","","","0.7107","MoKα","","","0.0789","","","0.0782","","","","","5.46","5.46","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116731","10.179","0.002","13.857","0.002","7.929","0.002","95.81","0.02","100.59","0.02","80.1","0.01","1080.2","0.4","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cl2 I6 S16 -","- C24 H16 Cl2 I6 S16 -","- C24 H16 Cl2 I6 S16 -","1","0.5","","Hiroshi M. Yamamoto; Jun-Ichi Yamaura; Reizo Kato","Multicomponent Molecular Conductors with Supramolecular Assembly: Iodine-Containing Neutral Molecules as Building Blocks","Journal of the American Chemical Society","1998","120","","5905","5913","10.1021/ja980024u","","","0.7107","MoKα","","","0.0459","","","0.0569","","","","","4.772","4.772","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116732","10.283","0.002","13.905","0.003","7.966","0.002","96.04","0.02","100.49","0.02","80.48","0.02","1101.2","0.4","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Br2 I6 S16 -","- C24 H16 Br2 I6 S16 -","- C24 H16 Br2 I6 S16 -","1","0.5","","Hiroshi M. Yamamoto; Jun-Ichi Yamaura; Reizo Kato","Multicomponent Molecular Conductors with Supramolecular Assembly: Iodine-Containing Neutral Molecules as Building Blocks","Journal of the American Chemical Society","1998","120","","5905","5913","10.1021/ja980024u","","","0.7107","MoKα","","","0.0554","","","0.0575","","","","","5.921","5.921","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116733","34.278","0.004","25.412","0.003","7.954","0.002","90","","93.268","0.013","90","","6917","2","293.2","","293.2","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H48 Au6 Br13 I12 S48 -","- C53 H64 Au5 Br12.25 I12 S40 -","- C106 H128 Au10 Br24.5 I24 S80 -","2","0.25","","Hiroshi M. Yamamoto; Jun-Ichi Yamaura; Reizo Kato","Multicomponent Molecular Conductors with Supramolecular Assembly: Iodine-Containing Neutral Molecules as Building Blocks","Journal of the American Chemical Society","1998","120","","5905","5913","10.1021/ja980024u","","","0.7107","MoKα","","0.1793","0.0962","","0.2662","","","","","1.056","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116734","10.184","0.003","15.578","0.004","9.258","0.003","99.73","0.02","106.87","0.02","76.33","0.03","1357.7","0.7","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H28 Cl I2 S24 -","- C40 H28 Cl0.5 I2 S24 -","- C40 H28 Cl0.5 I2 S24 -","1","0.5","","Hiroshi M. Yamamoto; Jun-Ichi Yamaura; Reizo Kato","Multicomponent Molecular Conductors with Supramolecular Assembly: Iodine-Containing Neutral Molecules as Building Blocks","Journal of the American Chemical Society","1998","120","","5905","5913","10.1021/ja980024u","","","0.7107","MoKα","","","0.0968","","","0.1057","","","","","5.768","5.768","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116735","32.09","0.004","13.932","0.002","15.307","0.002","90","","117.54","0.01","90","","6068","1.5","293.2","","293.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Br2 I7 S24 -","- C34 H24 Br2 I6.5 S24 -","- C136 H96 Br8 I26 S96 -","4","0.5","","Hiroshi M. Yamamoto; Jun-Ichi Yamaura; Reizo Kato","Multicomponent Molecular Conductors with Supramolecular Assembly: Iodine-Containing Neutral Molecules as Building Blocks","Journal of the American Chemical Society","1998","120","","5905","5913","10.1021/ja980024u","","","0.7107","MoKα","","","0.0366","","","0.0385","","","","","2.534","2.534","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116736","23.435","0.01","23.4355","","8.13","0.003","90","","90","","90","","4465","3","293.2","","293.2","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C42 H24 Br I22 S24 -","- C41 H24 Br0.25 I21 S24 -","- C82 H48 Br0.5 I42 S48 -","2","0.25","","Hiroshi M. Yamamoto; Jun-Ichi Yamaura; Reizo Kato","Multicomponent Molecular Conductors with Supramolecular Assembly: Iodine-Containing Neutral Molecules as Building Blocks","Journal of the American Chemical Society","1998","120","","5905","5913","10.1021/ja980024u","","","0.7107","MoKα","","0.1455","0.076","","0.2498","","","","","1.126","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116737","14.1","0.002","14.1","0.002","11.614","0.002","90","","90","","90","","2309","0.6","213","2","213","2","","","","","","","","7","I -4","I -4","82","","","","- C48 H48 Cl2 Li2 N8 Nb2 O2 -","- C46 H20 Cl2 Li2 N8 Nb2 O4 -","- C92 H40 Cl4 Li4 N16 Nb4 O8 -","2","0.25","","F. Albert Cotton; John H. Matonic; Carlos A. Murillo","Triply Bonded Nb24+ Tetragonal Lantern Compounds: Some Accompanied by Novel B-H...Na+ Interactions","Journal of the American Chemical Society","1998","120","","6047","6052","10.1021/ja980092g","","","0.71073","MoKα","","0.0611","0.0517","","0.1386","0.1272","","","","1.147","1.138","1.138","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116738","8.437","0.001","9.615","0.002","10.268","0.001","87.26","0.03","70.53","0.005","80.77","0.01","775.1","0.2","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H48 N12 Nb2 -","- C28 H48 N12 Nb2 -","- C28 H48 N12 Nb2 -","1","0.5","","F. Albert Cotton; John H. Matonic; Carlos A. Murillo","Triply Bonded Nb24+ Tetragonal Lantern Compounds: Some Accompanied by Novel B-H...Na+ Interactions","Journal of the American Chemical Society","1998","120","","6047","6052","10.1021/ja980092g","","","0.71073","MoKα","","0.0442","0.0392","","0.0927","0.0887","","","","1.081","1.081","1.081","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116739","9.228","0.002","10.963","0.002","23.401","0.005","90","","95.18","0.03","90","","2357.7","0.8","293","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H80 B2 N12 Na2 Nb2 -","- C40 H80 B2 N12 Na2 Nb2 -","- C80 H160 B4 N24 Na4 Nb4 -","2","0.5","","F. Albert Cotton; John H. Matonic; Carlos A. Murillo","Triply Bonded Nb24+ Tetragonal Lantern Compounds: Some Accompanied by Novel B-H...Na+ Interactions","Journal of the American Chemical Society","1998","120","","6047","6052","10.1021/ja980092g","","","0.71073","MoKα","","0.0421","0.0356","","0.0909","0.0828","","","","1.154","1.125","1.125","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116740","14.93","0.003","14.37","0.003","19.16","0.004","90","","98.13","0.03","90","","4069.4","1.5","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H64 B N12 Na Nb2 -","- C34 H48 B N12 Na Nb2 -","- C136 H192 B4 N48 Na4 Nb8 -","4","0.5","","F. Albert Cotton; John H. Matonic; Carlos A. Murillo","Triply Bonded Nb24+ Tetragonal Lantern Compounds: Some Accompanied by Novel B-H...Na+ Interactions","Journal of the American Chemical Society","1998","120","","6047","6052","10.1021/ja980092g","","","0.71073","MoKα","","0.0409","0.0373","","0.0984","0.0939","","","","1.11","1.111","1.111","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116741","11.073","0.001","12.096","0.001","23.303","0.003","88.649","0.008","88.657","0.01","64.251","0.008","2810.2","0.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","Decaphenylbiphenyl Chloroform Solvate","2',3',5',6',2"",3"",5"",6""-Octaphenyl-p-quaterphenyl Chloroform Solvate","","- C73 H51 Cl3 -","- C73 H51 Cl3 -","- C146 H102 Cl6 -","2","1","","Ling Tong; Heidi Lau; Douglas M. Ho; Robert A. Pascal","Polyphenylbiphenyls and Polyphenylfluorenes","Journal of the American Chemical Society","1998","120","","6000","6006","10.1021/ja980322r","","","0.71073","MoKα","","0.1701","0.0502","","0.1084","0.0833","","","","0.744","1.037","1.037","","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4116742","13.771","0.001","14.17","0.001","14.233","0.002","83.891","0.009","83.79","0.01","81.373","0.007","2718.3","0.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","2,3,5,6,7,8,9-Heptaphenyl-1,4-di(p-tolyl)fluorene . 0.5Acetone Solvate","","- C70.5 H53 O0.5 -","- C69 H50 -","- C138 H100 -","2","1","","Ling Tong; Heidi Lau; Douglas M. Ho; Robert A. Pascal","Polyphenylbiphenyls and Polyphenylfluorenes","Journal of the American Chemical Society","1998","120","","6000","6006","10.1021/ja980322r","","","0.71073","MoKα","","0.1591","0.0507","","0.1294","0.0989","","","","0.685","1.084","1.084","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116743","13.095","0.004","9.663","0.002","11.2943","0.0014","90","","90","","90","","1429.1","0.6","178","2","178","2","","","","","","","selfmade","5","P n n m","-P 2 2n","58","borylene-fe","","","- C14 H15 B Fe O4 -","- C14 H15 B Fe O4 -","- C56 H60 B4 Fe4 O16 -","4","0.5","","Alan H. Cowley; Viviana Lomelí; Andreas Voigt","Synthesis and Characterization of a Terminal Borylene (Boranediyl) Complex","Journal of the American Chemical Society","1998","120","","6401","6402","10.1021/ja9806433","","","0.71073","MoKα","","0.0578","0.0465","","0.1244","0.117","","","","1.001","1.056","1.056","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116744","8.058","0.001","8.3665","0.0018","8.955","0.0018","90","","113.141","0.013","90","","555.15","0.19","294","","294","","","","","","","","?","4","P 1 21 1","P 2yb","4","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C24 H28 N4 O4 -","2","1","","Feng He; Bruce M. Foxman; Barry B. Snider","Total Syntheses of (-)-Asperlicin and (-)-Asperlicin C","Journal of the American Chemical Society","1998","120","","6417","6418","10.1021/ja9809408","","","1.54178","CuKα","","","0.0358","","","0.0414","","","","","1.0015","1.0015","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116745","10.377","0.018","17.267","0.039","15.414","0.022","90","","108.97","0.11","90","","2612","8","298","2","298","2","","","","","","","chemical synthesis","5","P 1 21/c 1","-P 2ybc","14","In-Fluorosilaphane","Tribenzo 6-Fluoro-6-sila-2,10,19-trithia[5(6,14)][11]metacyclophane","","- C30 H27 F S3 Si -","- C30 H27 F S3 Si -","- C120 H108 F4 S12 Si4 -","4","1","","Steven Dell; Nancy J. Vogelaar; Douglas M. Ho; Robert A. Pascal","Anin-Fluorosilaphane: The Largestin-Functional Group Is a Uniquely Encapsulated Fluorine Atom","Journal of the American Chemical Society","1998","120","","6421","6422","10.1021/ja981009s","","","1.54178","CuKα","","0.0311","0.0276","","0.0948","0.0724","","","","1.032","1.044","1.044","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116746","10.6052","0.0008","9.7625","0.0008","10.2093","0.0012","90","","95.762","0.011","90","","1051.66","0.17","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(1,3-bis(dimethylamino)propan-2-oxy-N,O)-4,5-diphenyl-1,3,2-dioxaborolane","","- C21 H29 B N2 O3 -","- C21 H29 B N2 O3 -","- C42 H58 B2 N4 O6 -","2","1","","Jurriaan Huskens; Richard Goddard; Manfred T. Reetz","Direct Observation of Stereotopic Group Recognition in Solution and Solid State","Journal of the American Chemical Society","1998","120","","6617","6618","10.1021/ja980215x","","","0.71069","MoKα","","0.082","0.0449","","","0.1132","0.1341","","","","","","1.035","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116747","12.653","0.005","20.54","0.02","8.944","0.005","90","","90","","90","","2324","3","288.2","","288.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N3 -","- C13 H13 N3 -","- C104 H104 N24 -","8","2","","Aya Tanatani; Kentaro Yamaguchi; Isao Azumaya; Ryuuta Fukutomi; Koichi Shudo; Hiroyuki Kagechika","N-Methylated Diphenylguanidines: Conformations, Propeller-Type Molecular Chirality, and Construction of Water-Soluble Oligomers with Multilayered Aromatic Structures","Journal of the American Chemical Society","1998","120","","6433","6442","10.1021/ja9806534","","","0.7107","MoKα","","","0.0848","","","0.0908","","","","","1.777","1.777","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116748","8.906","0.002","12.342","0.001","21.335","0.002","90","","96.66","0.01","90","","2329.3","0.6","296.2","","296.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 -","- C13 H13 N3 -","- C104 H104 N24 -","8","2","","Aya Tanatani; Kentaro Yamaguchi; Isao Azumaya; Ryuuta Fukutomi; Koichi Shudo; Hiroyuki Kagechika","N-Methylated Diphenylguanidines: Conformations, Propeller-Type Molecular Chirality, and Construction of Water-Soluble Oligomers with Multilayered Aromatic Structures","Journal of the American Chemical Society","1998","120","","6433","6442","10.1021/ja9806534","","","1.5418","CuKα","","","0.0477","","","0.0391","","","","","3.718","3.718","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116749","5.666","0.001","10.126","0.003","21.17","0.02","90","","90","","90","","1214.6","1.2","173.2","","173.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N3 -","- C14 H15 N3 -","- C56 H60 N12 -","4","1","","Aya Tanatani; Kentaro Yamaguchi; Isao Azumaya; Ryuuta Fukutomi; Koichi Shudo; Hiroyuki Kagechika","N-Methylated Diphenylguanidines: Conformations, Propeller-Type Molecular Chirality, and Construction of Water-Soluble Oligomers with Multilayered Aromatic Structures","Journal of the American Chemical Society","1998","120","","6433","6442","10.1021/ja9806534","","","0.7107","MoKα","","","0.075","","","0.076","","","","","3.58","3.58","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116750","11.212","0.002","12.757","0.002","9.281","0.001","90","","112.21","0.01","90","","1229","0.3","296.2","","296.2","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C14 H15 N3 -","- C14 H15 N3 -","- C56 H60 N12 -","4","1","","Aya Tanatani; Kentaro Yamaguchi; Isao Azumaya; Ryuuta Fukutomi; Koichi Shudo; Hiroyuki Kagechika","N-Methylated Diphenylguanidines: Conformations, Propeller-Type Molecular Chirality, and Construction of Water-Soluble Oligomers with Multilayered Aromatic Structures","Journal of the American Chemical Society","1998","120","","6433","6442","10.1021/ja9806534","","","1.5418","CuKα","","","0.062","","","0.064","","","","","6.69","6.69","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116751","11.59","0.005","16.44","0.02","8.32","0.004","97.21","0.07","90.73","0.03","77.5","0.07","1535","2","288.2","","288.2","","","","","","","","","4","P -1","-P 1","2","","","","- C16.5 H21.5 N3 O0.5 -","- C16.5 H19.5 N3 O0.5 -","- C66 H78 N12 O2 -","4","2","","Aya Tanatani; Kentaro Yamaguchi; Isao Azumaya; Ryuuta Fukutomi; Koichi Shudo; Hiroyuki Kagechika","N-Methylated Diphenylguanidines: Conformations, Propeller-Type Molecular Chirality, and Construction of Water-Soluble Oligomers with Multilayered Aromatic Structures","Journal of the American Chemical Society","1998","120","","6433","6442","10.1021/ja9806534","","","0.7107","MoKα","","","0.097","","","0.127","","","","","3.87","3.87","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116752","13.034","0.003","13.216","0.004","9.711","0.002","91.85","0.02","94.99","0.02","65.14","0.01","1512","0.7","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 Br N3 -","- C15 H16 Br N3 -","- C60 H64 Br4 N12 -","4","2","","Aya Tanatani; Kentaro Yamaguchi; Isao Azumaya; Ryuuta Fukutomi; Koichi Shudo; Hiroyuki Kagechika","N-Methylated Diphenylguanidines: Conformations, Propeller-Type Molecular Chirality, and Construction of Water-Soluble Oligomers with Multilayered Aromatic Structures","Journal of the American Chemical Society","1998","120","","6433","6442","10.1021/ja9806534","","","1.5418","CuKα","","","0.079","","","0.1","","","","","5.87","5.87","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116753","18.532","0.002","7.736","0.002","20.462","0.002","90","","104.273","0.009","90","","2843","0.9","296.2","","296.2","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N3 -","- C16 H19 N3 -","- C128 H152 N24 -","8","1","","Aya Tanatani; Kentaro Yamaguchi; Isao Azumaya; Ryuuta Fukutomi; Koichi Shudo; Hiroyuki Kagechika","N-Methylated Diphenylguanidines: Conformations, Propeller-Type Molecular Chirality, and Construction of Water-Soluble Oligomers with Multilayered Aromatic Structures","Journal of the American Chemical Society","1998","120","","6433","6442","10.1021/ja9806534","","","1.5418","CuKα","","","0.069","","","0.066","","","","","4.61","4.61","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116754","12.055","0.003","14.776","0.003","10.466","0.004","90","","90.07","0.03","90","","1864.3","0.9","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 I N3 O -","- C17 H22 I N3 O -","- C68 H88 I4 N12 O4 -","4","1","","Aya Tanatani; Kentaro Yamaguchi; Isao Azumaya; Ryuuta Fukutomi; Koichi Shudo; Hiroyuki Kagechika","N-Methylated Diphenylguanidines: Conformations, Propeller-Type Molecular Chirality, and Construction of Water-Soluble Oligomers with Multilayered Aromatic Structures","Journal of the American Chemical Society","1998","120","","6433","6442","10.1021/ja9806534","","","1.5418","CuKα","","","0.0651","","","0.0751","","","","","1.95","1.95","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116755","12.044","0.002","14.786","0.004","10.444","0.001","90","","90","","90","","1859.9","0.6","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 I N3 O -","- C17 H22 I N3 O -","- C68 H88 I4 N12 O4 -","4","1","","Aya Tanatani; Kentaro Yamaguchi; Isao Azumaya; Ryuuta Fukutomi; Koichi Shudo; Hiroyuki Kagechika","N-Methylated Diphenylguanidines: Conformations, Propeller-Type Molecular Chirality, and Construction of Water-Soluble Oligomers with Multilayered Aromatic Structures","Journal of the American Chemical Society","1998","120","","6433","6442","10.1021/ja9806534","","","1.5418","CuKα","","","0.0627","","","0.0749","","","","","2.79","2.79","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116756","11.312","0.002","15.42","0.002","16.236","0.003","90","","101.33","0.01","90","","2776.9","0.8","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H30 I2 N6 -","- C24 H30 I2 N6 -","- C96 H120 I8 N24 -","4","1","","Aya Tanatani; Kentaro Yamaguchi; Isao Azumaya; Ryuuta Fukutomi; Koichi Shudo; Hiroyuki Kagechika","N-Methylated Diphenylguanidines: Conformations, Propeller-Type Molecular Chirality, and Construction of Water-Soluble Oligomers with Multilayered Aromatic Structures","Journal of the American Chemical Society","1998","120","","6433","6442","10.1021/ja9806534","","","1.5418","CuKα","","","0.0572","","","0.0573","","","","","2.67","2.67","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116757","10.929","0.002","11.173","0.002","11.895","0.002","90","","113.56","0.01","90","","1331.4","0.4","296.2","","296.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 I2 N6 -","- C24 H30 I2 N6 -","- C48 H60 I4 N12 -","2","0.5","","Aya Tanatani; Kentaro Yamaguchi; Isao Azumaya; Ryuuta Fukutomi; Koichi Shudo; Hiroyuki Kagechika","N-Methylated Diphenylguanidines: Conformations, Propeller-Type Molecular Chirality, and Construction of Water-Soluble Oligomers with Multilayered Aromatic Structures","Journal of the American Chemical Society","1998","120","","6433","6442","10.1021/ja9806534","","","1.5418","CuKα","","","0.041","","","0.044","","","","","2.91","2.91","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116758","11.647","0.002","25.027","0.003","15.866","0.002","90","","93.52","0.01","90","","4616","1.1","123.2","","123.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 Cl4 N12 O2 -","- C42 H54 Cl4 N12 O2 -","- C168 H216 Cl16 N48 O8 -","4","1","","Aya Tanatani; Kentaro Yamaguchi; Isao Azumaya; Ryuuta Fukutomi; Koichi Shudo; Hiroyuki Kagechika","N-Methylated Diphenylguanidines: Conformations, Propeller-Type Molecular Chirality, and Construction of Water-Soluble Oligomers with Multilayered Aromatic Structures","Journal of the American Chemical Society","1998","120","","6433","6442","10.1021/ja9806534","","","0.7107","MoKα","","","0.0661","","","0.0814","","","","","4.23","4.23","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116759","10.854","0.002","20.205","0.002","13.388","0.002","90","","113.59","0.01","90","","2690.7","0.7","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H62 Cl4 N12 O4 -","- C42 H54 Cl4 N12 O8 -","- C84 H108 Cl8 N24 O16 -","2","0.5","","Aya Tanatani; Kentaro Yamaguchi; Isao Azumaya; Ryuuta Fukutomi; Koichi Shudo; Hiroyuki Kagechika","N-Methylated Diphenylguanidines: Conformations, Propeller-Type Molecular Chirality, and Construction of Water-Soluble Oligomers with Multilayered Aromatic Structures","Journal of the American Chemical Society","1998","120","","6433","6442","10.1021/ja9806534","","","1.5418","CuKα","","","0.0694","","","0.0786","","","","","3.294","3.294","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116760","11.3735","0.0002","11.3735","0.0002","7.7134","0.0002","90","","90","","120","","864.1","0.03","213","2","213","2","","","","","","","","7","P -3","-P 3","147","","","","- C12 H13 B Cl2 N7 O Os -","- C10.5 H11.5 B Cl2.01 N6.99 O0.99 Os -","- C21 H23 B2 Cl4.02 N13.98 O1.98 Os2 -","2","0.333333","","Thomas J. Crevier; Scott Lovell; James M. Mayer; Arnold L. Rheingold; Ilia A. Guzei","Chalcogen Atom Transfer to a Metal Nitrido. The First Transition Metal Selenonitrosyl Complex","Journal of the American Chemical Society","1998","120","","6607","6608","10.1021/ja980992x","","","0.71073","MoKα","","0.0465","0.042","","0.1403","0.1218","","","","1.164","1.047","1.047","","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4116761","12.645","0.003","19.003","0.004","9.577","0.003","90","","103.89","0.017","90","","2234","1","150","","150","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Cu N4 O6 -","- C21 H26 Cu N4 O6 -","- C84 H104 Cu4 N16 O24 -","4","1","","Peter Molenveld; Johan F. J. Engbersen; Huub Kooijman; Anthony L. Spek; David N. Reinhoudt","Efficient Catalytic Phosphate Diester Cleavage by the Synergetic Action of Two Cu(II) Centers in a DinuclearCis-Diaqua Cu(II) Calix[4]arene Enzyme Model","Journal of the American Chemical Society","1998","120","","6726","6737","10.1021/ja9805324","","","0.71073","MoKα","","0.1323","0.0706","","","0.1597","0.2044","","","","","","1.028","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116762","8.4355","0.0005","14.0011","0.0008","17.6161","0.0009","92.713","0.004","102.107","0.004","103.352","0.005","1969.3","0.2","150","","150","","","","","","","","see text","6","P -1","-P 1","2","","","","- C34 H40 Cl2 Cu N8 O12 -","- C34 H40 Cl2 Cu N8 O12 -","- C68 H80 Cl4 Cu2 N16 O24 -","2","1","","Peter Molenveld; Johan F. J. Engbersen; Huub Kooijman; Anthony L. Spek; David N. Reinhoudt","Efficient Catalytic Phosphate Diester Cleavage by the Synergetic Action of Two Cu(II) Centers in a DinuclearCis-Diaqua Cu(II) Calix[4]arene Enzyme Model","Journal of the American Chemical Society","1998","120","","6726","6737","10.1021/ja9805324","","","0.71073","MoKα","","0.102","0.0584","","","0.1266","0.1461","","","","","","1.008","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116763","23.562","0.008","12.434","0.008","16.948","0.003","90","","91.18","0.02","90","","4964","4","150","","150","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H32 Cu N4 O9 -","- C21 H32 Cu N4 O9 -","- C168 H256 Cu8 N32 O72 -","8","1","","Peter Molenveld; Johan F. J. Engbersen; Huub Kooijman; Anthony L. Spek; David N. Reinhoudt","Efficient Catalytic Phosphate Diester Cleavage by the Synergetic Action of Two Cu(II) Centers in a DinuclearCis-Diaqua Cu(II) Calix[4]arene Enzyme Model","Journal of the American Chemical Society","1998","120","","6726","6737","10.1021/ja9805324","","","0.71073","MoKα","","0.0363","0.0306","","","0.0789","0.0818","","","","","","1.045","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116764","11.905","0.002","7.362","0.001","16.112","0.003","90","","95.579","0.009","90","","1405.4","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-Methyl-3α,5α-3,3',4',5'-tetrahydrobenzo[2,3]cholest-2-en-1-one","","- C32 H52 O -","- C32 H52 O -","- C64 H104 O2 -","2","1","","Jadwiga Frelek; Wojciech J. Szczepek; Hans Peter Weiss; Guido J. Reiss; Walter Frank; Joachim Brechtel; Bernd Schultheis; Hans-Georg Kuball","Chiroptical Properties of the Cisoid Enone Chromophore","Journal of the American Chemical Society","1998","120","","7010","7019","10.1021/ja973076c","","","1.54184","CuKα","","0.1278","0.0534","","0.066","0.0555","","","","1.322","1.633","1.633","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116765","20.503","0.004","21.729","0.004","6.389","0.001","90","","90","","90","","2846.4","0.9","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","3-Methyl-3β,5α-3,3',4',5'-tetrahydrobenzo[2,3]cholest-2-en-1-one","","- C32 H52 O -","- C32 H52 O -","- C128 H208 O4 -","4","1","","Jadwiga Frelek; Wojciech J. Szczepek; Hans Peter Weiss; Guido J. Reiss; Walter Frank; Joachim Brechtel; Bernd Schultheis; Hans-Georg Kuball","Chiroptical Properties of the Cisoid Enone Chromophore","Journal of the American Chemical Society","1998","120","","7010","7019","10.1021/ja973076c","","","1.54184","CuKα","","0.1024","0.063","","0.0877","0.082","","","","1.334","1.626","1.626","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116766","7.8","0.007","13.441","0.008","12.494","0.008","90","","100","0.06","90","","1290","1.6","150","2","150","2","","","","","","","see manuscript JA980700S-72 for details","5","P 1 21/n 1","-P 2yn","14","","2,2-Dihydroxy-3,5,7-trimethyl-1-azoniatricyclo[3.3.1.1 3,7]decane chloride","","- C12 H22 Cl N O2 -","- C12 H22 Cl N O2 -","- C48 H88 Cl4 N4 O8 -","4","1","","Anthony J. Kirby; Igor V. Komarov; Neil Feeder","Spontaneous, Millisecond Formation of a Twisted Amide from the Amino Acid, and the Crystal Structure of a Tetrahedral Intermediate","Journal of the American Chemical Society","1998","120","","7101","7102","10.1021/ja980700s","","","0.71069","MoKα","","0.0984","0.0797","","0.1486","0.1222","","","","1.32","1.341","1.341","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116767","12.177","0.003","4.483","0.003","19.271","0.003","90","","90","","90","","1052","0.8","90","2","90","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","N-(5-chloro-2-hydroxybenzylidene)aniline","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C52 H40 Cl4 N4 O4 -","4","1","","Keiichiro Ogawa; Yoshiro Kasahara; Yohko Ohtani; Jun Harada","Crystal Structure Change for the Thermochromy of N-Salicylideneanilines. The First Observation by X-ray Diffraction","Journal of the American Chemical Society","1998","120","","7107","7108","10.1021/ja980972v","","","0.71073","MoKα","","0.0629","0.035","","","0.079","0.0857","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116768","7.0435","0.0018","12.459","0.003","12.4827","0.0019","90","","92.031","0.018","90","","1094.7","0.4","90","2","90","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(5-chloro-2-hydroxybenzylidene)-4-hydroxyaniline","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","1","","Keiichiro Ogawa; Yoshiro Kasahara; Yohko Ohtani; Jun Harada","Crystal Structure Change for the Thermochromy of N-Salicylideneanilines. The First Observation by X-ray Diffraction","Journal of the American Chemical Society","1998","120","","7107","7108","10.1021/ja980972v","","","0.71073","MoKα","","0.0751","0.0388","","","0.0967","0.1071","","","","","","1.057","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116769","7.0861","0.0016","12.518","0.002","12.485","0.002","90","","92.422","0.018","90","","1106.5","0.4","160","2","160","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(5-chloro-2-hydroxybenzylidene)-4-hydroxyaniline","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","1","","Keiichiro Ogawa; Yoshiro Kasahara; Yohko Ohtani; Jun Harada","Crystal Structure Change for the Thermochromy of N-Salicylideneanilines. The First Observation by X-ray Diffraction","Journal of the American Chemical Society","1998","120","","7107","7108","10.1021/ja980972v","","","0.71073","MoKα","","0.1071","0.0458","","","0.107","0.1237","","","","","","1.033","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116770","7.1194","0.0017","12.563","0.002","12.49","0.0019","90","","92.714","0.017","90","","1115.9","0.4","220","2","220","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(5-chloro-2-hydroxybenzylidene)-4-hydroxyaniline","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","1","","Keiichiro Ogawa; Yoshiro Kasahara; Yohko Ohtani; Jun Harada","Crystal Structure Change for the Thermochromy of N-Salicylideneanilines. The First Observation by X-ray Diffraction","Journal of the American Chemical Society","1998","120","","7107","7108","10.1021/ja980972v","","","0.71073","MoKα","","0.1321","0.0469","","","0.1134","0.1381","","","","","","0.996","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116771","7.1805","0.0004","12.6383","0.0012","12.5144","0.001","90","","93.184","0.007","90","","1133.92","0.15","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(5-chloro-2-hydroxybenzylidene)-4-hydroxyaniline","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","1","","Keiichiro Ogawa; Yoshiro Kasahara; Yohko Ohtani; Jun Harada","Crystal Structure Change for the Thermochromy of N-Salicylideneanilines. The First Observation by X-ray Diffraction","Journal of the American Chemical Society","1998","120","","7107","7108","10.1021/ja980972v","","","0.71073","MoKα","","0.1263","0.043","","","0.0991","0.126","","","","","","0.984","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116772","7.224","0.0003","12.6908","0.0008","12.5188","0.0007","90","","93.606","0.005","90","","1145.43","0.11","375","2","375","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(5-chloro-2-hydroxybenzylidene)-4-hydroxyaniline","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","1","","Keiichiro Ogawa; Yoshiro Kasahara; Yohko Ohtani; Jun Harada","Crystal Structure Change for the Thermochromy of N-Salicylideneanilines. The First Observation by X-ray Diffraction","Journal of the American Chemical Society","1998","120","","7107","7108","10.1021/ja980972v","","","0.71073","MoKα","","0.1571","0.0486","","","0.1116","0.1442","","","","","","0.991","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116773","13.1803","0.0011","14.4195","0.0014","21.488","0.002","90","","107.501","0.006","90","","3894.8","0.6","571","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Compound 3","","","- C32 H42 Co N3 O4 Si4 Ti -","- C32 H42 Co N3 O4 Si4 Ti -","- C128 H168 Co4 N12 O16 Si16 Ti4 -","4","1","","Georg Jansen; Martin Schubart; Bernd Findeis; Lutz H. Gade; Ian J. Scowen; Mary McPartlin","Unsupported Ti-Co and Zr-Co Bonds in Heterobimetallic Complexes: A Theoretical Description of Metal-Metal Bond Polarity","Journal of the American Chemical Society","1998","120","","7239","7251","10.1021/ja974160v","","","0.71073","MoKα","","0.1268","0.05","","0.1292","0.0945","","","","0.999","1.091","1.091","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116774","13.3969","0.0014","14.552","0.002","21.408","0.003","90","","108.1","0.006","90","","3967","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Compound 5","","","- C32 H42 Co N3 O4 Si4 Zr -","- C32 H42 Co N3 O4 Si4 Zr -","- C128 H168 Co4 N12 O16 Si16 Zr4 -","4","1","","Georg Jansen; Martin Schubart; Bernd Findeis; Lutz H. Gade; Ian J. Scowen; Mary McPartlin","Unsupported Ti-Co and Zr-Co Bonds in Heterobimetallic Complexes: A Theoretical Description of Metal-Metal Bond Polarity","Journal of the American Chemical Society","1998","120","","7239","7251","10.1021/ja974160v","","","0.71073","MoKα","","0.173","0.0648","","0.1325","0.0832","","","","0.982","1.127","1.127","","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4116775","22.013","0.002","22.013","0.002","22.013","0.002","90","","90","","90","","10666.9","1.7","293","2","293","2","","","","","","","","8","P a -3","-P 2ac 2ab 3","205","Compound 6a","","","- C49 H57 Co N3 O3 P Si4 Zr -","- C49 H57 Co N3 O3 P Si4 Zr -","- C392 H456 Co8 N24 O24 P8 Si32 Zr8 -","8","0.333333","","Georg Jansen; Martin Schubart; Bernd Findeis; Lutz H. Gade; Ian J. Scowen; Mary McPartlin","Unsupported Ti-Co and Zr-Co Bonds in Heterobimetallic Complexes: A Theoretical Description of Metal-Metal Bond Polarity","Journal of the American Chemical Society","1998","120","","7239","7251","10.1021/ja974160v","","","0.71073","MoKα","","0.1302","0.056","","0.1085","0.0847","","","","1.049","1.156","1.156","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116776","12.85","0.003","25.1","0.005","16.02","0.003","90","","95.08","0.03","90","","5146.7","1.9","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- Bi2 H102 Mn2 N4 Na6 O113 W20 -","- Bi2 Mn2 Na6 O117 W20 -","- Bi4 Mn4 Na12 O234 W40 -","2","0.5","","Michael Bösing; Andreas Nöh; Ina Loose; Bernt Krebs","Highly Efficient Catalysts in Directed Oxygen-Transfer Processes: Synthesis, Structures of Novel Manganese-Containing Heteropolyanions, and Applications in Regioselective Epoxidation of Dienes with Hydrogen Peroxide","Journal of the American Chemical Society","1998","120","","7252","7259","10.1021/ja974281v","","","0.71073","MoKα","","0.1247","0.0789","","0.2042","0.1594","","","","1.072","1.083","1.083","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116777","14.209","0.003","23.336","0.005","32.334","0.006","90","","99.08","0.03","90","","10587","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- H100 Mn3 N Na11 O114 Sb2 W18 -","- Mn3 Na11 O115 Sb2 W18 -","- Mn12 Na44 O460 Sb8 W72 -","4","0.5","","Michael Bösing; Andreas Nöh; Ina Loose; Bernt Krebs","Highly Efficient Catalysts in Directed Oxygen-Transfer Processes: Synthesis, Structures of Novel Manganese-Containing Heteropolyanions, and Applications in Regioselective Epoxidation of Dienes with Hydrogen Peroxide","Journal of the American Chemical Society","1998","120","","7252","7259","10.1021/ja974281v","","","0.71073","MoKα","","0.0935","0.0826","","0.2345","0.2189","","","","1.069","1.09","1.09","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116778","12.456","0.002","12.812","0.003","29.579","0.006","90","","100.67","0.03","90","","4638.8","1.7","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- H84 Mn4 Na8 O108 Te2 W18 -","- Mn4 Na8 O110 Te2 W18 -","- Mn8 Na16 O220 Te4 W36 -","2","0.5","","Michael Bösing; Andreas Nöh; Ina Loose; Bernt Krebs","Highly Efficient Catalysts in Directed Oxygen-Transfer Processes: Synthesis, Structures of Novel Manganese-Containing Heteropolyanions, and Applications in Regioselective Epoxidation of Dienes with Hydrogen Peroxide","Journal of the American Chemical Society","1998","120","","7252","7259","10.1021/ja974281v","","","0.71073","MoKα","","0.0606","0.0455","","0.1071","0.1","","","","1.043","1.084","1.084","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116779","20.0467","0.0001","20.0467","0.0001","29.9368","0.0005","90","","90","","120","","10418.9","0.19","193","2","193","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C60 H84 Cl7 Co N6 O14 -","- C60 H74 Cl7 Co N6 O14 -","- C360 H444 Cl42 Co6 N36 O84 -","6","1","","Jean-Pierre Simonato; Jacques Pécaut; Jean-Claude Marchon","Kinetic and Structural Factors Governing Chiral Recognition in Cobalt(III) Chiroporphyrin-Amino Alcohol Complexes","Journal of the American Chemical Society","1998","120","","7363","7364","10.1021/ja980644v","","","0.71073","MoKα","","0.0849","0.0707","","0.2055","0.1876","","","","1.096","1.085","1.085","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116780","12.9539","0.0001","22.6358","0.0001","13.4329","0.0002","90","","117.43","","90","","3496","0.06","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C61 H80 Cl10 Co N6 O11.5 -","- C61 H79 Cl10 Co N6 O11.5 -","- C122 H158 Cl20 Co2 N12 O23 -","2","1","","Jean-Pierre Simonato; Jacques Pécaut; Jean-Claude Marchon","Kinetic and Structural Factors Governing Chiral Recognition in Cobalt(III) Chiroporphyrin-Amino Alcohol Complexes","Journal of the American Chemical Society","1998","120","","7363","7364","10.1021/ja980644v","","","0.71073","MoKα","","0.0494","0.0446","","0.1233","0.1187","","","","1.017","1.022","1.022","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116781","9.462","0.001","9.511","0.001","11.434","0.001","79.45","0.02","81.07","0.02","63.5","0.02","902.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H24 Cl Mn N10 O4 -","- C10 H24 Cl Mn N10 O4 -","- C20 H48 Cl2 Mn2 N20 O8 -","2","1","","Karsten Meyer; Jesper Bendix; Nils Metzler-Nolte; Thomas Weyhermüller; Karl Wieghardt","Nitridomanganese(V) and -(VI) Complexes Containing Macrocyclic Amine Ligands","Journal of the American Chemical Society","1998","120","","7260","7270","10.1021/ja980686j","","","0.71073","MoKα","","0.0464","0.0434","","0.1206","0.1106","","","","1.168","1.183","1.183","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116782","16.752","0.003","25.009","0.005","18.764","0.003","90","","90","","90","","7861","2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H54 Cl3 Mn2 N13 O15 -","- C20 H48 Cl3 Mn2 N13 O15 -","- C160 H384 Cl24 Mn16 N104 O120 -","8","1","","Karsten Meyer; Jesper Bendix; Nils Metzler-Nolte; Thomas Weyhermüller; Karl Wieghardt","Nitridomanganese(V) and -(VI) Complexes Containing Macrocyclic Amine Ligands","Journal of the American Chemical Society","1998","120","","7260","7270","10.1021/ja980686j","","","0.71073","MoKα","","0.1019","0.0941","","0.2257","0.2198","","","","1.192","1.237","1.237","","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4116783","13.101","0.002","10.896","0.002","23.203","0.004","90","","90","","90","","3312.2","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H24 Cl2 Mn N5 O4 -","- C10 H24 Cl2 Mn N5 O4 -","- C80 H192 Cl16 Mn8 N40 O32 -","8","1","","Karsten Meyer; Jesper Bendix; Nils Metzler-Nolte; Thomas Weyhermüller; Karl Wieghardt","Nitridomanganese(V) and -(VI) Complexes Containing Macrocyclic Amine Ligands","Journal of the American Chemical Society","1998","120","","7260","7270","10.1021/ja980686j","","","0.71073","MoKα","","0.0313","0.0272","","0.067","0.0629","","","","1.175","1.197","1.197","","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4116784","8.119","0.001","16.92","0.002","16.242","0.002","90","0","103.81","0.02","90","0","2166.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H27 Cl2 Mn N6 O8 -","- C12 H27 Cl2 Mn N6 O8 -","- C48 H108 Cl8 Mn4 N24 O32 -","4","1","","Karsten Meyer; Jesper Bendix; Nils Metzler-Nolte; Thomas Weyhermüller; Karl Wieghardt","Nitridomanganese(V) and -(VI) Complexes Containing Macrocyclic Amine Ligands","Journal of the American Chemical Society","1998","120","","7260","7270","10.1021/ja980686j","","","0.71073","MoKα","","0.0961","0.0731","","0.2324","0.2035","","","","1.065","1.092","1.092","","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4116785","9.378","0.002","13.134","0.003","15.158","0.003","90","","99.88","0.03","90","","1839.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Cl2 Mn N5 O8 -","- C10 H24 Cl2 Mn N5 O8 -","- C40 H96 Cl8 Mn4 N20 O32 -","4","1","","Karsten Meyer; Jesper Bendix; Nils Metzler-Nolte; Thomas Weyhermüller; Karl Wieghardt","Nitridomanganese(V) and -(VI) Complexes Containing Macrocyclic Amine Ligands","Journal of the American Chemical Society","1998","120","","7260","7270","10.1021/ja980686j","","","0.71073","MoKα","","0.0414","0.0345","","0.0994","0.0947","","","","1.088","1.103","1.103","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116786","14.334","0.003","15.237","0.003","17.745","0.004","90","","90.69","0.03","90","","3875.4","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Cl F3 Mn N5 O6 -","- C12 H24 Cl F3 Mn N5 O6 -","- C96 H192 Cl8 F24 Mn8 N40 O48 -","8","2","","Karsten Meyer; Jesper Bendix; Nils Metzler-Nolte; Thomas Weyhermüller; Karl Wieghardt","Nitridomanganese(V) and -(VI) Complexes Containing Macrocyclic Amine Ligands","Journal of the American Chemical Society","1998","120","","7260","7270","10.1021/ja980686j","","","0.71073","MoKα","","0.0848","0.0733","","0.1985","0.1901","","","","1.123","1.176","1.176","","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4116787","6.592","0.001","13.638","0.002","19.01","0.003","90","","93.99","0.02","90","","1704.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H24 Cl Mn N6 O4 -","- C11 H24 Cl Mn N6 O4 -","- C44 H96 Cl4 Mn4 N24 O16 -","4","1","","Karsten Meyer; Jesper Bendix; Nils Metzler-Nolte; Thomas Weyhermüller; Karl Wieghardt","Nitridomanganese(V) and -(VI) Complexes Containing Macrocyclic Amine Ligands","Journal of the American Chemical Society","1998","120","","7260","7270","10.1021/ja980686j","","","0.71073","MoKα","","0.0474","0.04","","0.0961","0.0928","","","","1.056","1.095","1.095","","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4116788","16.752","0.003","7.91","0.002","12.222","0.002","90","","114.28","0.03","90","","1476.3","0.6","293","2","293","2","","","","","","","T. Polonski","3","P 1 21 1","P 2yb","4","cholic acid propiophenone clathrate","3αlpha,7αlpha,12αlpha-trihydroxy-5βeta-cholan-24-oic acid propiophenone clathrate","","- C33 H50 O6 -","- C33 H50 O6 -","- C66 H100 O12 -","2","1","","Maria Gdaniec; Tadeusz Połoński","Generation of Chirality in Guest Aromatic Ketones Included in the Crystals of Steroidal Bile Acids","Journal of the American Chemical Society","1998","120","","7353","7354","10.1021/ja9807441","","","0.71073","MoKα","","0.0522","0.0383","","0.1114","0.1022","","","","1.057","1.058","1.058","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116789","16.668","0.003","8.15","0.004","12.064","0.002","90","","113.24","0.02","90","","1505.9","0.9","293","2","293","2","","","","","","","T. Polonski","4","P 1 21 1","P 2yb","4","cholic acid 4-fluoropropiophenone clathrate","3αlpha,7αlpha,12αlpha-trihydroxy-5βeta-cholan-24-oic acid 4-fluoropropiophenone clathrate","","- C33 H49 F O6 -","- C33 H49 F O6 -","- C66 H98 F2 O12 -","2","1","","Maria Gdaniec; Tadeusz Połoński","Generation of Chirality in Guest Aromatic Ketones Included in the Crystals of Steroidal Bile Acids","Journal of the American Chemical Society","1998","120","","7353","7354","10.1021/ja9807441","","","0.71073","MoKα","","0.1205","0.0461","","0.1356","0.1016","","","","1.055","1.114","1.114","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116790","21.211","0.004","6.1216","0.0008","19.01","0.01","90","","90","","90","","2468.4","1.4","123.2","","123.2","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H32 N5 O4 -","- C26 H32 N5 O4 -","- C104 H128 N20 O16 -","4","1","","Megumi Tanaka; Kenji Matsuda; Tetsuji Itoh; Hiizu Iwamura","Syntheses and Magnetic Properties of Stable Organic Triradicals with Quartet Ground States Consisting of Different Nitroxide Radicals","Journal of the American Chemical Society","1998","120","","7168","7173","10.1021/ja980817g","","","0.7107","MoKα","","0.077","0.0657","","0.1004","0.0961","","","","1.903","1.815","1.815","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116791","5.7284","0.0004","6.5347","0.0005","8.7954","0.0009","101.236","0.007","102.126","0.008","95.056","0.007","312.85","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H8 Cl N O Si -","- C2 H8 Cl N O Si -","- C4 H16 Cl2 N2 O2 Si2 -","2","1","","Norbert W. Mitzel; Udo Losehand","β-Donor Interactions of Exceptional Strength in N,N-Dimethylhydroxylaminochlorosilane, ClH2SiONMe2","Journal of the American Chemical Society","1998","120","","7320","7327","10.1021/ja980933j","","","0.71073","MoKα","","0.0448","0.0356","","0.1132","0.0944","","","","1.072","1.105","1.105","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116792","13.75","0.005","15.365","0.004","30.695","0.009","100.88","0.03","90.56","0.04","107.72","0.02","6050","3","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H122 Cl N22 Ni11 O24 -","- C108 H122 Cl N22 Ni11 O24 -","- C216 H244 Cl2 N44 Ni22 O48 -","2","1","","Euan K. Brechin; William Clegg; Mark Murrie; Simon Parsons; Simon J. Teat; Richard E. P. Winpenny","Nanoscale Cages of Manganese and Nickel with ""Rock Salt"" Cores","Journal of the American Chemical Society","1998","120","","7365","7366","10.1021/ja981011j","","","1.54184","CuKα","","0.1053","0.0669","","0.189","0.1484","","","","1.025","1.085","1.085","","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4116793","16.3826","0.0014","32.075","0.005","22.797","0.003","90","","109.372","0.011","90","","11301","3","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60.5 H142 Mn18 O51.5 -","- C60.5 H142 Mn18 O51.5 -","- C242 H568 Mn72 O206 -","4","1","","Euan K. Brechin; William Clegg; Mark Murrie; Simon Parsons; Simon J. Teat; Richard E. P. Winpenny","Nanoscale Cages of Manganese and Nickel with ""Rock Salt"" Cores","Journal of the American Chemical Society","1998","120","","7365","7366","10.1021/ja981011j","","","0.687","","","0.1568","0.0669","","0.1967","0.1596","","","","0.965","1.13","1.13","","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4116794","12.7861","0.0005","8.2071","0.0003","19.3197","0.0009","90","","91.683","0.004","90","","2026.47","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C92 H100 N4 O20 -","4","2","","James D. White; Peter Hrnciar; Alexandre F. T. Yokochi","Tandem Ring-Closing Metathesis Transannular Cyclization as a Route to Hydroxylated Pyrrolizidines. Asymmetric Synthesis of (+)-Australine","Journal of the American Chemical Society","1998","120","","7359","7360","10.1021/ja9811400","","","1.54178","CuKα","","0.0475","0.0418","","","0.1061","0.1116","","","","","","1.051","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4116795","17.5677","0.0003","42.8491","0.0003","21.0196","0.0003","90","","90.613","0.001","90","","15821.8","0.4","169","","273.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H72 F6 Mo N8 P Ru -","- C92.5 H85 Cl F6 Mo N8 P Ru -","- C740 H680 Cl8 F48 Mo8 N64 P8 Ru8 -","8","2","","James P. Collman; Steven T. Harford; Pascale Maldivi; Jean-Claude Marchon","Unusual Molecular Orbital Ordering in Molybdenum-Ruthenium Heterometallic Porphyrin Dimers: Structural and Magnetic Evidence","Journal of the American Chemical Society","1998","120","","7999","8000","10.1021/ja980233e","","","0.7107","MoKalpha","","","0.08","","","0.093","","","","","2.15","2.15","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116796","8.994","0.002","11.44","0.005","16.62","0.004","98.33","0.02","92.568","0.019","105","0.03","1628.3","0.9","123","","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H54 Li Mg N3 Si6 -","- C18 H54 Li Mg N3 Si6 -","- C36 H108 Li2 Mg2 N6 Si12 -","2","1","","Alan R. Kennedy; Robert E. Mulvey; René B. Rowlings","Intermetallic Lithium-Magnesium Hexamethyldisilazide: Synthesis and Structure, Discovery of an Oxygen-Centered Variant, and a Reaction with Benzonitrile That Produces a Novel Amidinate Cage Compound with a Trigonal Bipyramidal Li4MgO Core","Journal of the American Chemical Society","1998","120","","7816","7824","10.1021/ja980561e","","","0.71069","MoKα","","0.1434","0.0581","","","0.1457","0.1724","","","","","","1.015","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116797","9.161","0.003","13.785","0.005","18.139","0.004","90","","91.17","0.02","90","","2290.2","1.2","123","2","123","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C24 H72 Li2 Mg2 N4 O1.72 Si8 -","- C24 H72 Li2 Mg2 N4 O1.715 Si8 -","- C48 H144 Li4 Mg4 N8 O3.43 Si16 -","2","0.5","","Alan R. Kennedy; Robert E. Mulvey; René B. Rowlings","Intermetallic Lithium-Magnesium Hexamethyldisilazide: Synthesis and Structure, Discovery of an Oxygen-Centered Variant, and a Reaction with Benzonitrile That Produces a Novel Amidinate Cage Compound with a Trigonal Bipyramidal Li4MgO Core","Journal of the American Chemical Society","1998","120","","7816","7824","10.1021/ja980561e","","","0.71069","MoKα","","0.0736","0.0357","","","0.0851","0.0997","","","","","","1.007","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116798","10.317","0.003","26.138","0.015","24.986","0.014","90","","90","","90","","6738","6","123","","123","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C52 H92 Li4 Mg N8 O Si8 -","- C52 H92 Li4 Mg N8 O Si8 -","- C208 H368 Li16 Mg4 N32 O4 Si32 -","4","0.5","","Alan R. Kennedy; Robert E. Mulvey; René B. Rowlings","Intermetallic Lithium-Magnesium Hexamethyldisilazide: Synthesis and Structure, Discovery of an Oxygen-Centered Variant, and a Reaction with Benzonitrile That Produces a Novel Amidinate Cage Compound with a Trigonal Bipyramidal Li4MgO Core","Journal of the American Chemical Society","1998","120","","7816","7824","10.1021/ja980561e","","","0.71069","MoKα","","0.2415","0.0571","","","0.1326","0.1783","","","","","","0.956","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116799","14.879","0.001","9.6043","0.0009","19.2032","0.0009","90","","110.526","0.004","90","","2570","0.3","126","","126","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H86 O8 P2 Rh2 -","- C48 H86 O8 P2 Rh2 -","- C96 H172 O16 P4 Rh4 -","2","0.5","","Takashi Kawamura; Minobu Maeda; Makoto Miyamoto; Hiroshi Usami; Kaori Imaeda; Masahiro Ebihara","Geometrical Difference and Electron Configuration of Lantern-Type Rh24+ and Rh25+ Complexes: X-ray Structural and DFT Study","Journal of the American Chemical Society","1998","120","","8136","8142","10.1021/ja9712940","","","0.7107","MoKα","","","0.0253","","","0.0292","","","","","1.456","1.456","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116800","8.58","0.001","12.82","0.002","17.6","0.001","90","","101.012","0.008","90","","1900.3","0.4","211","","211","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H62 O8 P2 Rh2 -","- C30 H62 O8 P2 Rh2 -","- C60 H124 O16 P4 Rh4 -","2","0.5","","Takashi Kawamura; Minobu Maeda; Makoto Miyamoto; Hiroshi Usami; Kaori Imaeda; Masahiro Ebihara","Geometrical Difference and Electron Configuration of Lantern-Type Rh24+ and Rh25+ Complexes: X-ray Structural and DFT Study","Journal of the American Chemical Society","1998","120","","8136","8142","10.1021/ja9712940","","","0.7107","MoKα","","","0.0305","","","0.0275","","","","","1.489","1.489","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116801","12.647","0.002","17.055","0.002","12.663","0.002","90","","103.678","0.009","90","","2653.9","0.7","123.2","","123.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 Cl2 N4 O4 Rh2 -","- C25 H24 Cl2 N4 O4 Rh2 -","- C100 H96 Cl8 N16 O16 Rh8 -","4","1","","Takashi Kawamura; Minobu Maeda; Makoto Miyamoto; Hiroshi Usami; Kaori Imaeda; Masahiro Ebihara","Geometrical Difference and Electron Configuration of Lantern-Type Rh24+ and Rh25+ Complexes: X-ray Structural and DFT Study","Journal of the American Chemical Society","1998","120","","8136","8142","10.1021/ja9712940","","","0.7107","MoKα","","","0.033","","","0.0408","","","","","1.177","1.177","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116802","11.149","0.002","18.902","0.003","14.118","0.002","90","","94.45","0.01","90","","2966.2","0.8","126","","126","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H90 Cl4 F6 O8 P2 Rh2 Sb -","- C50 H90 Cl4 F6 O8 P2 Rh2 Sb0.5 -","- C100 H180 Cl8 F12 O16 P4 Rh4 Sb -","2","0.5","","Takashi Kawamura; Minobu Maeda; Makoto Miyamoto; Hiroshi Usami; Kaori Imaeda; Masahiro Ebihara","Geometrical Difference and Electron Configuration of Lantern-Type Rh24+ and Rh25+ Complexes: X-ray Structural and DFT Study","Journal of the American Chemical Society","1998","120","","8136","8142","10.1021/ja9712940","","","0.7107","MoKα","","","0.0247","","","0.0268","","","","","1.301","1.301","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116803","12.442","0.002","15.668","0.002","11.598","0.002","108.14","0.01","103.04","0.01","94.85","0.01","2063.7","0.6","129","","129","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H62 F6 O8 P2 Rh2 Sb -","- C30 H62 F6 O8 P2 Rh2 Sb -","- C60 H124 F12 O16 P4 Rh4 Sb2 -","2","1","","Takashi Kawamura; Minobu Maeda; Makoto Miyamoto; Hiroshi Usami; Kaori Imaeda; Masahiro Ebihara","Geometrical Difference and Electron Configuration of Lantern-Type Rh24+ and Rh25+ Complexes: X-ray Structural and DFT Study","Journal of the American Chemical Society","1998","120","","8136","8142","10.1021/ja9712940","","","0.7107","MoKα","","","0.0249","","","0.029","","","","","1.682","1.682","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116804","14.3327","0.0008","14.3327","0.0008","14.371","0.002","90","","90","","90","","2952.2","0.5","253.2","","253.2","","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C60 H60 Cl N8 O4 Rh2 -","- C58 H58 Cl0.48 N8 O3 Rh0.5 -","- C116 H116 Cl0.96 N16 O6 Rh -","2","0.125","","Takashi Kawamura; Minobu Maeda; Makoto Miyamoto; Hiroshi Usami; Kaori Imaeda; Masahiro Ebihara","Geometrical Difference and Electron Configuration of Lantern-Type Rh24+ and Rh25+ Complexes: X-ray Structural and DFT Study","Journal of the American Chemical Society","1998","120","","8136","8142","10.1021/ja9712940","","","0.7107","MoKα","","","0.0369","","","0.0457","","","","","1.744","1.744","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116805","9.094","0.003","14.007","0.005","14.302","0.006","84.25","0.03","80.23","0.03","87.49","0.03","1785.7","1.2","294","","294","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H112 O2 S4 -","- C72 H112 O2 S4 -","- C72 H112 O2 S4 -","1","0.5","","Isabelle Jestin; Pierre Frère; Nicolas Mercier; Eric Levillain; Didier Stievenard; Jean Roncali","Synthesis and Characterization of the Electronic and Electrochemical Properties of Thienylenevinylene Oligomers with Multinanometer Dimensions","Journal of the American Chemical Society","1998","120","","8150","8158","10.1021/ja980603z","","","0.71073","Mo-Kα","","0.117","0.064","","0.105","0.092","","","","2.055","1.858","1.858","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116806","6.38","0.001","6.808","0.0011","9.242","0.0014","109.2","0.027","96.86","0.009","94.95","0.004","372.99","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 F4 I2 N2 -","- C8 H16 F4 I2 N2 -","- C8 H16 F4 I2 N2 -","1","0.5","","Vincenzo Amico; Stefano Valdo Meille; Eleonora Corradi; Maria Teresa Messina; Giuseppe Resnati","Perfluorocarbon-Hydrocarbon Self-Assembling. 1D Infinite Chain Formation Driven by Nitrogen...Iodine Interactions","Journal of the American Chemical Society","1998","120","","8261","8262","10.1021/ja9810686","","","1.5418","CuKα","","0.0954","0.0653","","","0.1764","0.205","","","","","","1.375","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4116807","15.917","0.002","23.778","0.002","8.714","0.001","90","","123.17","0.01","90","","2760.6","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 F4 I2 N2 O6 -","- C20 H36 F4.996 I2 N2 O6 -","- C80 H144 F19.984 I8 N8 O24 -","4","0.5","","Vincenzo Amico; Stefano Valdo Meille; Eleonora Corradi; Maria Teresa Messina; Giuseppe Resnati","Perfluorocarbon-Hydrocarbon Self-Assembling. 1D Infinite Chain Formation Driven by Nitrogen...Iodine Interactions","Journal of the American Chemical Society","1998","120","","8261","8262","10.1021/ja9810686","","","1.5418","CuKα","","0.0887","0.0703","","","0.1953","0.2132","","","","","","0.945","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116808","17.8507","0.0013","14.1146","0.0012","13.7229","0.0012","90","","90","","90","","3457.6","0.5","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","(Me5CpW)3B8H9","","- C30 H54 B8 W3 -","- C30 H54 B8 W3 -","- C120 H216 B32 W12 -","4","0.5","","Andrew S. Weller; Maoyu Shang; Thomas P. Fehlner","Synthesis and Structure of the Metallaborane Cp*3(μ-H)W3B8H8 from the Thermolysis of Cp*H3WB4H8 (Cp* = η5-C5Me5). A Close-Packed 11-Atom Boron-Rich Cluster","Journal of the American Chemical Society","1998","120","","8283","8284","10.1021/ja981101o","","","0.71073","MoKα","","0.0363","0.0349","","0.1","0.0929","","","","1.061","1.062","1.062","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116809","10.374","0.002","7.784","0.005","13.1","0.004","90","","103.47","0.02","90","","1028.7","0.8","296","","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H24 Cl2 N6 O10 Pt2 -","- C8 H24 Cl2 N6 O10 Pt2 -","- C16 H48 Cl4 N12 O20 Pt4 -","2","1","","Ken Sakai; Yuko Tanaka; Yuriko Tsuchiya; Kentaro Hirata; Taro Tsubomura; Seiichiro Iijima; Ashis Bhattacharjee","New Structural Aspects of α-Pyrrolidinonate- and α-Pyridonate-Bridged, Homo- and Mixed-Valence, Di- and Tetranuclear cis-Diammineplatinum Complexes: Eight New Crystal Structures, Stoichiometric 1:1 Mixture of Pt(2.25+)4 and Pt(2.5+)4, New Quasi-One-Dimensional Halide-Bridged [Pt(2.5+)4-Cl...]∞System, and Consideration of Solution Properties","Journal of the American Chemical Society","1998","120","","8366","8379","10.1021/ja980019q","","","1.54178","CuKα","","0.0463","0.04","","0.0364","0.0355","","","","","1.75","1.75","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4116810","17.908","0.005","9.755","0.005","25.754","0.004","90","","96.69","0.02","90","","4468","3","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H48 Cl5 N12 O24 Pt4 -","- C16 H48 Cl4.5 N12 O24 Pt4 -","- C64 H192 Cl18 N48 O96 Pt16 -","4","0.5","","Ken Sakai; Yuko Tanaka; Yuriko Tsuchiya; Kentaro Hirata; Taro Tsubomura; Seiichiro Iijima; Ashis Bhattacharjee","New Structural Aspects of α-Pyrrolidinonate- and α-Pyridonate-Bridged, Homo- and Mixed-Valence, Di- and Tetranuclear cis-Diammineplatinum Complexes: Eight New Crystal Structures, Stoichiometric 1:1 Mixture of Pt(2.25+)4 and Pt(2.5+)4, New Quasi-One-Dimensional Halide-Bridged [Pt(2.5+)4-Cl...]∞System, and Consideration of Solution Properties","Journal of the American Chemical Society","1998","120","","8366","8379","10.1021/ja980019q","","","0.71069","MoKα","","0.0944","0.0517","","0.0409","0.0361","","","","","1.39","1.39","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116811","18.277","0.007","9.801","0.009","26.03","0.01","90","","95.18","0.04","90","","4644","5","296","","296","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H48 F18 N14 O10 P3 Pt4 -","- C16 H48 F17 N14 O10 P2.5 Pt4 -","- C64 H192 F68 N56 O40 P10 Pt16 -","4","0.5","","Ken Sakai; Yuko Tanaka; Yuriko Tsuchiya; Kentaro Hirata; Taro Tsubomura; Seiichiro Iijima; Ashis Bhattacharjee","New Structural Aspects of α-Pyrrolidinonate- and α-Pyridonate-Bridged, Homo- and Mixed-Valence, Di- and Tetranuclear cis-Diammineplatinum Complexes: Eight New Crystal Structures, Stoichiometric 1:1 Mixture of Pt(2.25+)4 and Pt(2.5+)4, New Quasi-One-Dimensional Halide-Bridged [Pt(2.5+)4-Cl...]∞System, and Consideration of Solution Properties","Journal of the American Chemical Society","1998","120","","8366","8379","10.1021/ja980019q","","","1.54178","CuKα","","0.13","0.0914","","0.0932","0.0901","","","","","2.91","2.91","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116812","15.051","0.002","17.201","0.002","9.8802","0.0006","96.939","0.008","92.703","0.008","64.404","0.009","2289.9","0.5","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H108 F12 N33 O41 P2 Pt8 -","- C32 H96 F12 N33 O41 P1.5 Pt8 -","- C32 H96 F12 N33 O41 P1.5 Pt8 -","1","0.5","","Ken Sakai; Yuko Tanaka; Yuriko Tsuchiya; Kentaro Hirata; Taro Tsubomura; Seiichiro Iijima; Ashis Bhattacharjee","New Structural Aspects of α-Pyrrolidinonate- and α-Pyridonate-Bridged, Homo- and Mixed-Valence, Di- and Tetranuclear cis-Diammineplatinum Complexes: Eight New Crystal Structures, Stoichiometric 1:1 Mixture of Pt(2.25+)4 and Pt(2.5+)4, New Quasi-One-Dimensional Halide-Bridged [Pt(2.5+)4-Cl...]∞System, and Consideration of Solution Properties","Journal of the American Chemical Society","1998","120","","8366","8379","10.1021/ja980019q","","","1.54178","CuKα","","0.0556","0.05","","0.0584","0.0576","","","","","2.77","2.77","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116813","9.999","0.005","26.98","0.01","17.427","0.004","90","","95.23","0.03","90","","4682","3","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H48 Cl6 N12 O16 Pt4 -","- C16 H49 Cl6 N12 O16 Pt4 -","- C64 H196 Cl24 N48 O64 Pt16 -","4","1","","Ken Sakai; Yuko Tanaka; Yuriko Tsuchiya; Kentaro Hirata; Taro Tsubomura; Seiichiro Iijima; Ashis Bhattacharjee","New Structural Aspects of α-Pyrrolidinonate- and α-Pyridonate-Bridged, Homo- and Mixed-Valence, Di- and Tetranuclear cis-Diammineplatinum Complexes: Eight New Crystal Structures, Stoichiometric 1:1 Mixture of Pt(2.25+)4 and Pt(2.5+)4, New Quasi-One-Dimensional Halide-Bridged [Pt(2.5+)4-Cl...]∞System, and Consideration of Solution Properties","Journal of the American Chemical Society","1998","120","","8366","8379","10.1021/ja980019q","","","0.71069","MoKα","","0.2704","0.1019","","0.1269","0.095","","","","","1.53","1.53","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116814","10.114","0.002","11.988","0.003","8.789","0.002","100.82","0.02","95.96","0.01","79.61","0.01","1026.8","0.4","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H24 Cl2 N8 O8 Pt2 -","- C8 H24 Cl2 N8 O8 Pt2 -","- C16 H48 Cl4 N16 O16 Pt4 -","2","1","","Ken Sakai; Yuko Tanaka; Yuriko Tsuchiya; Kentaro Hirata; Taro Tsubomura; Seiichiro Iijima; Ashis Bhattacharjee","New Structural Aspects of α-Pyrrolidinonate- and α-Pyridonate-Bridged, Homo- and Mixed-Valence, Di- and Tetranuclear cis-Diammineplatinum Complexes: Eight New Crystal Structures, Stoichiometric 1:1 Mixture of Pt(2.25+)4 and Pt(2.5+)4, New Quasi-One-Dimensional Halide-Bridged [Pt(2.5+)4-Cl...]∞System, and Consideration of Solution Properties","Journal of the American Chemical Society","1998","120","","8366","8379","10.1021/ja980019q","","","0.71069","MoKα","","0.0709","0.0492","","0.0585","0.057","","","","","2.47","2.47","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116815","9.521","0.003","24.608","0.007","10.137","0.002","90","","110.87","0.02","90","","2219.2","1.1","296","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C8 H26 Cl N9 O12 Pt2 -","- C8 H24 Cl N9 O12 Pt2 -","- C32 H96 Cl4 N36 O48 Pt8 -","4","1","","Ken Sakai; Yuko Tanaka; Yuriko Tsuchiya; Kentaro Hirata; Taro Tsubomura; Seiichiro Iijima; Ashis Bhattacharjee","New Structural Aspects of α-Pyrrolidinonate- and α-Pyridonate-Bridged, Homo- and Mixed-Valence, Di- and Tetranuclear cis-Diammineplatinum Complexes: Eight New Crystal Structures, Stoichiometric 1:1 Mixture of Pt(2.25+)4 and Pt(2.5+)4, New Quasi-One-Dimensional Halide-Bridged [Pt(2.5+)4-Cl...]∞System, and Consideration of Solution Properties","Journal of the American Chemical Society","1998","120","","8366","8379","10.1021/ja980019q","","","0.71069","MoKα","","0.0885","0.0525","","0.0442","0.0411","","","","","1.72","1.72","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116816","10.492","0.003","11.864","0.003","9.856","0.002","106.41","0.02","92.2","0.02","100.92","0.02","1150","0.5","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H56 N16 O30 Pt4 -","- C16 H42 N16 O30 Pt4 -","- C16 H42 N16 O30 Pt4 -","1","0.5","","Ken Sakai; Yuko Tanaka; Yuriko Tsuchiya; Kentaro Hirata; Taro Tsubomura; Seiichiro Iijima; Ashis Bhattacharjee","New Structural Aspects of α-Pyrrolidinonate- and α-Pyridonate-Bridged, Homo- and Mixed-Valence, Di- and Tetranuclear cis-Diammineplatinum Complexes: Eight New Crystal Structures, Stoichiometric 1:1 Mixture of Pt(2.25+)4 and Pt(2.5+)4, New Quasi-One-Dimensional Halide-Bridged [Pt(2.5+)4-Cl...]∞System, and Consideration of Solution Properties","Journal of the American Chemical Society","1998","120","","8366","8379","10.1021/ja980019q","","","0.71069","MoKα","","0.0745","0.0445","","0.035","0.0314","","","","","1.27","1.27","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116817","8.62","0.01","9.88","0.01","15.31","0.01","90","","96.33","0.01","90","","1296","2","293","","293","","","","","","","","?","4","P 1 21 1","P 2yb","4","","","","- C28 H46 N2 O2 -","- C28 H46 N2 O2 -","- C56 H92 N4 O4 -","2","1","","Jack E. Baldwin; Artem Melman; Victor Lee; Catherine R. Firkin; Roger C. Whitehead","Biomimetic Synthesis of (-)-Xestospongin A, (+)-Xestospongin C, (+)-Araguspongine B and the Correction of Their Absolute Configurations","Journal of the American Chemical Society","1998","120","","8559","8560","10.1021/ja980765v","","","1.5418","CuKα","","","0.0311","","","0.0393","","","","","1.0308","1.0308","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116818","22.942","0.004","24.674","0.011","10.775","0.004","90","","90","","90","","6099","4","150","","150","","","","","","","","see text","5","A b a 2","A 2 -2ab","41","","","","- C46 H88 Cl4 N10 O12 -","- C46 H88 Cl4 N10 O12 -","- C184 H352 Cl16 N40 O48 -","4","","","Anton W. Bosman; Monique J. Bruining; Huub Kooijman; Anthony L. Spek; René A. J. Janssen; E. W. Meijer","Concerning the Localization of End Groups in Dendrimers","Journal of the American Chemical Society","1998","120","","8547","8548","10.1021/ja981626g","","","0.71073","MoKα","","0.0681","0.0546","","","0.1294","0.1384","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4116819","5.799","0.002","5.799","0.002","14.53","0.007","90","","90","","90","","488.6","0.3","123","2","123","2","","","","","","","Aldrich","3","P 43 21 2","P 4nw 2abw","96","fluorobenzene","fluorobenzene","","- C6 H5 F -","- C6 H5 F -","- C24 H20 F4 -","4","0.5","","Venkat R. Thalladi; Hans-Christoph Weiss; Dieter Bläser; Roland Boese; Ashwini Nangia; Gautam R. Desiraju","C-H...F Interactions in the Crystal Structures of Some Fluorobenzenes","Journal of the American Chemical Society","1998","120","","8702","8710","10.1021/ja981198e","","","0.71073","MoKα","","0.0464","0.0407","","0.11","0.1056","","","","1.06","1.084","1.084","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116820","7.4806","0.0011","5.9608","0.0009","11.725","0.002","90","","103.815","0.011","90","","507.7","0.14","123","2","123","2","","","","","","","Aldrich","3","P 1 21/n 1","-P 2yn","14","1,2-difluorobenzene","1,2-difluorobenzene","","- C6 H4 F2 -","- C6 H4 F2 -","- C24 H16 F8 -","4","1","","Venkat R. Thalladi; Hans-Christoph Weiss; Dieter Bläser; Roland Boese; Ashwini Nangia; Gautam R. Desiraju","C-H...F Interactions in the Crystal Structures of Some Fluorobenzenes","Journal of the American Chemical Society","1998","120","","8702","8710","10.1021/ja981198e","","","0.71073","MoKα","","0.0373","0.0344","","0.1086","0.1051","","","","1.055","1.074","1.074","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116821","5.809","0.002","6.53","0.002","7.19","0.002","90","","101.89","0.02","90","","266.89","0.14","215","2","215","2","","","","","","","Aldrich","3","P 1 21/c 1","-P 2ybc","14","1,4-difluorobenzene","1,4-difluorobenzene","","- C6 H4 F2 -","- C6 H4 F2 -","- C12 H8 F4 -","2","0.5","","Venkat R. Thalladi; Hans-Christoph Weiss; Dieter Bläser; Roland Boese; Ashwini Nangia; Gautam R. Desiraju","C-H...F Interactions in the Crystal Structures of Some Fluorobenzenes","Journal of the American Chemical Society","1998","120","","8702","8710","10.1021/ja981198e","","","0.71073","MoKα","","0.053","0.0443","","0.1241","0.1139","","","","1.144","1.193","1.193","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116822","6.16","0.002","11.909","0.003","7.504","0.002","90","","95.47","0.02","90","","548","0.3","130","2","130","2","","","","","","","Aldrich","3","I 1 2/a 1","-I 2ya","15","1,3,5-trifluorobenzene","1,3,5-trifluorobenzene","","- C6 H3 F3 -","- C6 H3 F3 -","- C24 H12 F12 -","4","0.5","","Venkat R. Thalladi; Hans-Christoph Weiss; Dieter Bläser; Roland Boese; Ashwini Nangia; Gautam R. Desiraju","C-H...F Interactions in the Crystal Structures of Some Fluorobenzenes","Journal of the American Chemical Society","1998","120","","8702","8710","10.1021/ja981198e","","","0.71073","MoKα","","0.0484","0.0419","","0.1163","0.1092","","","","1.055","1.077","1.077","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116823","4.4719","0.0011","10.285","0.002","6.342","0.002","90","","107.97","0.02","90","","277.46","0.13","135","2","135","2","","","","","","","Aldrich","3","P 1 21/c 1","-P 2ybc","14","1,2,4,5-tetrafluorobenzene","1,2,4,5-tetrafluorobenzene","","- C6 H2 F4 -","- C6 H2 F4 -","- C12 H4 F8 -","2","0.5","","Venkat R. Thalladi; Hans-Christoph Weiss; Dieter Bläser; Roland Boese; Ashwini Nangia; Gautam R. Desiraju","C-H...F Interactions in the Crystal Structures of Some Fluorobenzenes","Journal of the American Chemical Society","1998","120","","8702","8710","10.1021/ja981198e","","","0.71073","MoKα","","0.0454","0.0424","","0.1185","0.1112","","","","1.085","1.109","1.109","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116824","19.171","0.003","6.9496","0.0012","9.207","0.002","90","","116.187","0.013","90","","1100.8","0.4","123","2","123","2","","","","","","","Aldrich","3","C 1 2/c 1","-C 2yc","15","1,2,3,4-tetrafluorobenzene","1,2,3,4-tetrafluorobenzene","","- C6 H2 F4 -","- C6 H2 F4 -","- C48 H16 F32 -","8","1","","Venkat R. Thalladi; Hans-Christoph Weiss; Dieter Bläser; Roland Boese; Ashwini Nangia; Gautam R. Desiraju","C-H...F Interactions in the Crystal Structures of Some Fluorobenzenes","Journal of the American Chemical Society","1998","120","","8702","8710","10.1021/ja981198e","","","0.71073","MoKα","","0.0518","0.0433","","0.1329","0.1241","","","","1.07","1.101","1.101","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116825","12.38","0.003","9.91","0.002","9.88","0.002","90","","102.5","0.03","90","","1183.4","0.5","200","2","200","2","","","","","","","Aldrich","3","P 1 21/c 1","-P 2ybc","14","pentafluorobenzene","pentafluorobenzene","","- C6 H F5 -","- C6 H F5 -","- C48 H8 F40 -","8","2","","Venkat R. Thalladi; Hans-Christoph Weiss; Dieter Bläser; Roland Boese; Ashwini Nangia; Gautam R. Desiraju","C-H...F Interactions in the Crystal Structures of Some Fluorobenzenes","Journal of the American Chemical Society","1998","120","","8702","8710","10.1021/ja981198e","","","0.71073","MoKα","","0.0482","0.0344","","0.1009","0.0912","","","","1.063","1.114","1.114","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116826","13.625","0.003","20.648","0.004","13.939","0.003","90","","92.33","0.03","90","","3918.2","1.4","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 F6 O5 -","- C20 H14 F6 O5 -","- C160 H112 F48 O40 -","8","1","","Hong Woo Kim; Paolo Rossi; Richard K. Shoemaker; Stephen G. DiMagno","Structure and Transport Properties of a Novel, Heavily Fluorinated Carbohydrate Analogue","Journal of the American Chemical Society","1998","120","","9082","9083","10.1021/ja9803714","","","0.5608","AgKα","","0.0648","0.0564","","","0.141","0.1495","","","","","","1.062","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116827","5.128","","17.5","0.002","6.872","0.001","90","","104.37","","90","","597.4","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N4 O2 -","- C4 H4 N4 O2 -","- C16 H16 N16 O8 -","4","1","","Christer B. Aakeröy; Mark Nieuwenhuyzen; Sarah L. Price","Three Polymorphs of 2-Amino-5-nitropyrimidine: Experimental Structures and Theoretical Predictions","Journal of the American Chemical Society","1998","120","","8986","8993","10.1021/ja981122i","","","0.71073","MoKα","","0.122","0.0515","","0.1212","0.0926","","","","1.004","1.13","1.13","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116828","4.917","0.001","6.94","0.002","17.507","0.003","90","","95.63","","90","","594.5","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 N3 O2 -","- C5 H5 N3 O2 -","- C20 H20 N12 O8 -","4","1","","Christer B. Aakeröy; Mark Nieuwenhuyzen; Sarah L. Price","Three Polymorphs of 2-Amino-5-nitropyrimidine: Experimental Structures and Theoretical Predictions","Journal of the American Chemical Society","1998","120","","8986","8993","10.1021/ja981122i","","","0.71073","MoKα","","0.1353","0.0576","","0.1263","0.0992","","","","1.028","1.141","1.141","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116829","4.165","0.001","6.654","0.001","21.293","0.004","90","","90","","90","","590.1","0.2","153","2","153","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C4 H4 N4 O2 -","- C4 H4 N4 O2 -","- C16 H16 N16 O8 -","4","0.5","","Christer B. Aakeröy; Mark Nieuwenhuyzen; Sarah L. Price","Three Polymorphs of 2-Amino-5-nitropyrimidine: Experimental Structures and Theoretical Predictions","Journal of the American Chemical Society","1998","120","","8986","8993","10.1021/ja981122i","","","0.71073","MoKα","","0.0373","0.0314","","0.0917","0.0868","","","","1.097","1.12","1.12","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116830","14.337","0.007","6.477","0.003","14.386","0.006","90","","113.41","0.07","90","","1225.9","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","p-bromophenethylene salt of 2-(3-biphenyl)-4-methyl-valeric acid","","","- C26 H30 Br N O2 -","- C26 H30 Br N O2 -","- C52 H60 Br2 N2 O4 -","2","1","","Renee L. DesJarlais; Dennis S. Yamashita; Hye-Ja Oh; Irene N. Uzinskas; Karl F. Erhard; Andrew C. Allen; R. Curtis Haltiwanger; Baoguang Zhao; Ward W. Smith; Sherin S. Abdel-Meguid; Karla D'Alessio; Cheryl A. Janson; Michael S. McQueney; Thaddeus A. Tomaszek; Mark A. Levy; Daniel F. Veber","Use of X-ray Co-crystal Structures and Molecular Modeling To Design Potent and Selective Non-peptide Inhibitors of Cathepsin K","Journal of the American Chemical Society","1998","120","","9114","9115","10.1021/ja981171v","","","0.71073","MoKα","","0.0799","0.0641","","0.1606","0.1436","","","","1.077","1.062","1.062","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116831","12.847","0.001","9.579","0.003","13.343","0.001","90","","115.238","0.006","90","","1485.3","0.5","296.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 O8 -","- C34 H34 O8 -","- C68 H68 O16 -","2","0.5","","Takehisa Dewa; Ken Endo; Yasuhiro Aoyama","Dynamic Aspects of Lattice Inclusion Complexation Involving a Phase Change. Equilibrium, Kinetics, and Energetics of Guest-Binding to a Hydrogen-Bonded Flexible Organic Network","Journal of the American Chemical Society","1998","120","","8933","8940","10.1021/ja9812453","","","0.71069","MoKα","","","0.0392","","","0.0632","","","","1.375","","","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116832","9.7908","0.0006","10.846","0.0008","12.9779","0.0007","71.856","0.004","72.592","0.004","85.01","0.005","1249.6","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H37 N O3 S -","- C27 H37 N O3 S -","- C54 H74 N2 O6 S2 -","2","1","","Miles P. Smith; Kenneth M. Johnson; Mei Zhang; Judith L. Flippen-Anderson; Alan P. Kozikowski","Tuning the Selectivity of Monoamine Transporter Inhibitors by the Stereochemistry of the Nitrogen Lone Pair","Journal of the American Chemical Society","1998","120","","9072","9073","10.1021/ja981423s","","","1.54178","CuKα","","0.0728","0.0572","","","0.1679","0.1886","","","","","","0.949","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4116833","8.629","0.002","10.343","0.002","14.836","0.003","90","","104.35","0.02","90","","1282.8","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H37 N O4 S -","- C27 H37 N O4 S -","- C54 H74 N2 O8 S2 -","2","1","","Miles P. Smith; Kenneth M. Johnson; Mei Zhang; Judith L. Flippen-Anderson; Alan P. Kozikowski","Tuning the Selectivity of Monoamine Transporter Inhibitors by the Stereochemistry of the Nitrogen Lone Pair","Journal of the American Chemical Society","1998","120","","9072","9073","10.1021/ja981423s","","","1.54178","CuKα","","0.0857","0.0696","","0.211","0.1902","","","","1.041","1.064","1.064","","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4116834","8.6001","0.0006","10.1069","0.0009","11.0863","0.0011","104.848","0.008","93.694","0.007","94.497","0.006","925","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H56 Cu Li2 N2 O4 -","- C35 H56 Cu Li2 N3 O4 -","- C35 H56 Cu Li2 N3 O4 -","1","0.5","","Claudia M. P. Kronenburg; Johann T. B. H. Jastrzebski; Anthony L. Spek; Gerard van Koten","A Model Structure for the Resting State of Cyanocuprate Reagents R2Cu(CN)Li2. The X-ray Crystal Structure of [Ar2Cu(CN)Li2(THF)4]\ιnfty1","Journal of the American Chemical Society","1998","120","","9688","9689","10.1021/ja9802448","","","0.71073","MoKα","","0.0568","0.0407","","","0.0895","0.0955","","","","","","1.071","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116835","9.542","0.001","9.918","0.002","26.268","0.006","90","","90","","90","","2485.9","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[Piv-S-Pro-(2R,3R)-2,3-methanophenylalanine-NHMe] dichloromethane solvate","","- C22 H31 Cl2 N3 O3 -","- C22 H31 Cl2 N3 O3 -","- C88 H124 Cl8 N12 O12 -","4","1","","A. I. Jiménez; C. Cativiela; A. Aubry; M. Marraud","β-Turn Preferences Induced by 2,3-Methanophenylalanine Chirality","Journal of the American Chemical Society","1998","120","","9452","9459","10.1021/ja9807439","","","1.5418","CuKα","","0.091","0.0545","","0.1926","0.1387","","","","0.962","1.001","1.001","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116836","4.947","0.002","21.204","0.004","10.671","0.002","90","","99.33","0.03","90","","1104.5","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Z-S-Pro-(2S,3S)-2,3-methanophenylalanine-NHMe","","- C24 H27 N3 O4 -","- C24 H27 N3 O4 -","- C48 H54 N6 O8 -","2","1","","A. I. Jiménez; C. Cativiela; A. Aubry; M. Marraud","β-Turn Preferences Induced by 2,3-Methanophenylalanine Chirality","Journal of the American Chemical Society","1998","120","","9452","9459","10.1021/ja9807439","","","1.5418","CuKα","","0.0599","0.0483","","0.1384","0.1202","","","","1.082","1.042","1.042","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116837","10.127","0.001","13.033","0.003","19.13","0.003","90","","90","","90","","2524.9","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[Boc-S-Pro-(2R,3S)-2,3-methanophenylalanine-NHMe] dichloromethane solvate","","- C22 H31 Cl2 N3 O4 -","- C21.86 H30.72 Cl1.72 N3 O4 -","- C87.44 H122.88 Cl6.88 N12 O16 -","4","1","","A. I. Jiménez; C. Cativiela; A. Aubry; M. Marraud","β-Turn Preferences Induced by 2,3-Methanophenylalanine Chirality","Journal of the American Chemical Society","1998","120","","9452","9459","10.1021/ja9807439","","","1.54056","CuKα","","0.0846","0.0621","","0.2255","0.1698","","","","0.925","0.951","0.951","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116838","6.279","0.001","6.279","0.001","47.46","0.01","90","","90","","120","","1620.5","0.5","123","2","123","2","","","","","","","synthesis","4","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C5 H20 B2 P2 -","- C5 H20 B2 P2 -","- C30 H120 B12 P12 -","6","0.5","","F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang","Low-Valent Ditantalum Complex Ta2(μ-BH3)(μ-dmpm)3(η2-BH4)2: First Dinuclear Compound Containing a Bridging BH3 Group with Direct Ta-B Bonds","Journal of the American Chemical Society","1998","120","","9594","9599","10.1021/ja9817242","","","0.71073","MoKα","","0.0476","0.0333","","0.0833","0.0785","","","","1.195","1.231","1.231","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116839","17.076","0.002","11.663","0.002","15.8577","0.0008","90","","99.257","0.008","90","","3117","0.7","213","2","213","2","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H53 B3 P6 Ta2 -","- C15 H53 B3 P6 Ta2 -","- C60 H212 B12 P24 Ta8 -","4","1","","F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang","Low-Valent Ditantalum Complex Ta2(μ-BH3)(μ-dmpm)3(η2-BH4)2: First Dinuclear Compound Containing a Bridging BH3 Group with Direct Ta-B Bonds","Journal of the American Chemical Society","1998","120","","9594","9599","10.1021/ja9817242","","","0.71073","MoKα","","0.0346","0.0322","","0.0824","0.0799","","","","1.087","1.09","1.09","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116840","16.308","0.001","16.086","0.001","13.8755","0.0007","90","","90","","90","","3640","0.4","173","2","173","2","","","","","","","synthesis","5","P n m a","-P 2ac 2n","62","","","","- C22 H61 B3 P6 Ta2 -","- C23 H61 B3 P6 Ta2 -","- C92 H244 B12 P24 Ta8 -","4","0.5","","F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang","Low-Valent Ditantalum Complex Ta2(μ-BH3)(μ-dmpm)3(η2-BH4)2: First Dinuclear Compound Containing a Bridging BH3 Group with Direct Ta-B Bonds","Journal of the American Chemical Society","1998","120","","9594","9599","10.1021/ja9817242","","","0.71073","MoKα","","0.0381","0.0259","","0.0721","0.0674","","","","1.051","1.088","1.088","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116841","11.2577","0.0002","22.9293","0.0005","17.6274","0.0004","90","","94.408","0.001","90","","4536.72","0.16","173","2","173","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","","","","- C2 Cs6 O44 Rh Si W11 -","- C2 Cs6 O44 Rh Si W11 -","- C8 Cs24 O176 Rh4 Si4 W44 -","4","1","","Xinyi Wei; Michael H. Dickman; Michael T. Pope","Rhodium-Carbon Bond Formation in Aqueous Solution. Synthesis, Structure, and Reactivity of the Functionalized Heteropolytungstates, [XW11O39RhCH2COOH]5,6- (X = P, Si)","Journal of the American Chemical Society","1998","120","","10254","10255","10.1021/ja980993p","","","0.71073","MoKα","","0.082","0.0667","","0.1708","0.1612","","","","1.113","1.159","1.159","","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4116842","12.703","0.006","17.868","0.008","19.131","0.009","96.56","0.02","97.12","0.02","91.318","0.013","4278","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- K9.5 O88 P2 Rh2 W22 -","- K9.5 O88 P2 Rh2 W22 -","- K19 O176 P4 Rh4 W44 -","2","1","","Xinyi Wei; Robert E. Bachman; Michael T. Pope","Rhodium Derivatives of Lacunary Heteropolytungstates Illustrate Metalloporphyrin Analogies. Reductive Dimerization to Rh2-Linked Keggin Moieties","Journal of the American Chemical Society","1998","120","","10248","10253","10.1021/ja981066l","","","0.71073","MoKα","","0.2907","0.1831","","0.5251","0.4182","","","","1.168","1.269","1.269","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116843","21.792","0.002","18.511","0.005","13.358","0.004","90","","90","","90","","5389","2","173.2","","173.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","cis-complex","","","- C21 H10 F12 Mn N4 O4 -","- C21 H10 F12 Mn N4 O4 -","- C168 H80 F96 Mn8 N32 O32 -","8","1","","Satoru Karasawa; Yoko Sano; Takeyuki Akita; Noboru Koga; Tetsuji Itoh; Hiizu Iwamura; Pierre Rabu; Marc Drillon","Photochemical Formation of Ferrimagnetic Chains from a Pair of Polymeric Complexes Made of Octahedral Bis(hexafluoroacetylacetonato)manganese(II) with Diazodi(4-pyridyl)methane in the Cis and Trans Configurations as Repeating Units","Journal of the American Chemical Society","1998","120","","10080","10087","10.1021/ja981293n","","","0.7107","MoKα","","0.1259","0.0616","","0.0716","0.0615","","","","2.154","2.559","2.559","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116844","13.25","0.002","8.5032","0.0007","13.8067","0.001","90","","93.566","0.008","90","","1552.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 Si2 Ti -","- C30 H54 Si2 Ti -","- C60 H108 Si4 Ti2 -","2","0.5","","Peter B. Hitchcock; Francesca M. Kerton; Gerard A. Lawless","The Elusive Titanocene","Journal of the American Chemical Society","1998","120","","10264","10265","10.1021/ja981934e","","","0.71073","MoKα","","0.0773","0.0579","","0.1609","0.1468","","","","1.061","1.097","1.097","","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4116845","10.508","0.001","14.833","0.001","12.508","0.001","90","","99.767","0.005","90","","1921.3","0.3","130","2","130","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C24 H26 Cl14 N4 Si -","- C24 H26 Cl14 N4 Si -","- C48 H52 Cl28 N8 Si2 -","2","0.25","","Karl Hensen; Thorsten Stumpf; Michael Bolte; Christian Näther; Holger Fleischer","Experimental Investigations and ab Initio Studies on Hexacoordinated Complexes of Dichlorosilane","Journal of the American Chemical Society","1998","120","","10402","10408","10.1021/ja981016g","","","0.71073","MoKα","","0.0897","0.0641","","0.1609","0.1446","","","","1.061","1.117","1.117","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116846","15.4608","0.0001","6.166","0.0001","14.3313","0.0002","90","","118.576","0.001","90","","1199.79","0.03","153","","153","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Cl2 N2 Si -","- C10 H12 Cl2 N2 Si -","- C40 H48 Cl8 N8 Si4 -","4","0.5","","Karl Hensen; Thorsten Stumpf; Michael Bolte; Christian Näther; Holger Fleischer","Experimental Investigations and ab Initio Studies on Hexacoordinated Complexes of Dichlorosilane","Journal of the American Chemical Society","1998","120","","10402","10408","10.1021/ja981016g","","","0.71073","MoKα","","0.0401","0.0289","","0.0696","0.0656","","","","1.116","1.145","1.145","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116847","6.0174","0.0002","7.5422","0.0003","8.5744","0.0003","65.954","0.001","76.746","0.001","77.881","0.001","342.92","0.02","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Cl2 N2 Si -","- C12 H16 Cl2 N2 Si -","- C12 H16 Cl2 N2 Si -","1","0.5","","Karl Hensen; Thorsten Stumpf; Michael Bolte; Christian Näther; Holger Fleischer","Experimental Investigations and ab Initio Studies on Hexacoordinated Complexes of Dichlorosilane","Journal of the American Chemical Society","1998","120","","10402","10408","10.1021/ja981016g","","","0.71073","MoKα","","0.0334","0.0276","","0.0772","0.0745","0.0772","","","1.056","","","1.056","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116848","11.1311","0.0013","12.983","0.002","14.162","0.002","67.597","0.012","88.428","0.011","70.483","0.01","1771.7","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","2","","John H. Horner; Noriko Tanaka; Martin Newcomb","Kinetics of Cyclopropylcarbinyl Radical Ring Openings Measured Directly by Laser Flash Photolysis","Journal of the American Chemical Society","1998","120","","10379","10390","10.1021/ja9819460","","","1.54178","CuKα","","0.0615","0.047","","0.1516","0.1328","","","","1.074","1.134","1.134","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116849","10.2756","0.0014","23.384","0.004","7.6671","0.0008","90","","111.831","0.009","90","","1710.2","0.4","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C84 H88 O8 -","4","1","","John H. Horner; Noriko Tanaka; Martin Newcomb","Kinetics of Cyclopropylcarbinyl Radical Ring Openings Measured Directly by Laser Flash Photolysis","Journal of the American Chemical Society","1998","120","","10379","10390","10.1021/ja9819460","","","1.54178","CuKα","","0.0442","0.0372","","0.1002","0.0957","","","","1.029","1.081","1.081","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116850","10.775","0.002","10.775","0.002","60.398","0.012","90","","90","","120","","6073","2","294","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C38 H36 Br5 Cu2 P2 -","- C38 H48 Br5 Cu2 P2 -","- C228 H288 Br30 Cu12 P12 -","6","0.166667","","Caitlin Horn; Ian Dance; Don Craig; Marcia Scudder; Graham Bowmaker","A Short but Weak Cu-Cu Interaction in [Cu2Br5]2-, a Crystal Engineered (Cu1.5+)2 Confacial Bitetrahedral Complex","Journal of the American Chemical Society","1998","120","","10549","10550","10.1021/ja981960c","","","0.71073","MoKα","","","0.034","","","","0.043","","","","","","1.58","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116851","9.792","0.001","15.474","0.003","16.846","0.003","93.21","0.01","93.25","0.01","103.23","0.01","2474.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H64 N9 Ni1.5 O17 -","- C27 H48 N9 Ni1.5 O17 -","- C54 H96 N18 Ni3 O34 -","2","1","","Hye Jin Choi; Myunghyun Paik Suh","Self-Assembly of Molecular Brick Wall and Molecular Honeycomb from Nickel(II) Macrocycle and 1,3,5-Benzenetricarboxylate: Guest-Dependent Host Structures","Journal of the American Chemical Society","1998","120","","10622","10628","10.1021/ja980504l","","","0.71073","MoKα","","0.1574","0.0983","","0.3078","0.28","","","","1.038","1.29","1.29","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116852","9.792","0.001","15.474","0.003","16.846","0.003","93.21","0.01","93.25","0.01","103.23","0.01","2474.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H66 N9 Ni1.5 O18 -","- C27 H48 N9 Ni1.5 O18 -","- C54 H96 N18 Ni3 O36 -","2","1","","Hye Jin Choi; Myunghyun Paik Suh","Self-Assembly of Molecular Brick Wall and Molecular Honeycomb from Nickel(II) Macrocycle and 1,3,5-Benzenetricarboxylate: Guest-Dependent Host Structures","Journal of the American Chemical Society","1998","120","","10622","10628","10.1021/ja980504l","","","0.71073","MoKα","","0.1514","0.0782","","0.2782","0.1887","","","","0.909","1.12","1.12","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116853","9.952","0.0006","16.7476","0.001","18.8263","0.0011","113.412","0.001","97.51","0.001","94.524","0.001","2825.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H67 N10 Ni1.5 O16 -","- C32 H53 N10 Ni1.5 O16 -","- C64 H106 N20 Ni3 O32 -","2","1","","Hye Jin Choi; Myunghyun Paik Suh","Self-Assembly of Molecular Brick Wall and Molecular Honeycomb from Nickel(II) Macrocycle and 1,3,5-Benzenetricarboxylate: Guest-Dependent Host Structures","Journal of the American Chemical Society","1998","120","","10622","10628","10.1021/ja980504l","","","0.71073","MoKα","","0.1776","0.101","","0.3355","0.2436","","","","1.058","1.168","1.168","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116854","28.0614","0.001","8.4932","0.0004","22.1477","0.001","90","","102.664","0.002","90","","5150.1","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C59 H55 N9 Zn -","- C59 H55 N9 Zn -","- C236 H220 N36 Zn4 -","4","0.5","","Iain M. Blake; Harry L. Anderson; David Beljonne; Jean-Luc Brédas; William Clegg","Synthesis, Crystal Structure, and Electronic Structure of a 5,15-Dialkylideneporphyrin: A TCNQ/Porphyrin Hybrid","Journal of the American Chemical Society","1998","120","","10764","10765","10.1021/ja9810078","","","0.4848","synchrotron","","0.1363","0.0816","","","0.1746","0.2011","","","","","","1.054","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116855","10.919","0.006","26.14","0.014","15.057","0.008","90","","102.78","0.04","90","","4191","4","218","2","218","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H134 F2 Na4 P2 Si4 -","- C78 H134 F2 Na4 P2 Si4 -","- C156 H268 F4 Na8 P4 Si8 -","2","0.5","","Matthias Driess; Hans Pritzkow; Markus Skipinski; Uwe Winkler","Intriguing Tetrasodium Dication Cluster Na42+ Stabilized between Two Silyl(fluorosilyl)phosphanide Shells","Journal of the American Chemical Society","1998","120","","10774","10775","10.1021/ja9822963","","","0.7107","MoKα","","0.1368","0.0625","","","0.1533","0.1849","","","","","","1.029","","","","has coordinates,has disorder","289785","2024-02-12","08:29:27",""
"4116856","31.6018","0.0009","20.734","0.0006","11.6986","0.0003","90","","98.4343","0.0007","90","","7582.4","0.4","198","2","198","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cl2 S2 Si Zr -","- C16 H16 Cl2 S2.76 Si Zr -","- C256 H256 Cl32 S44.16 Si16 Zr16 -","16","2","","John A. Ewen; Robert L. Jones; Michael J. Elder; Arnold L. Rheingold; Louise M. Liable-Sands","Polymerization Catalysts with Cyclopentadienyl Ligands Ring-Fused to Pyrrole and Thiophene Heterocycles","Journal of the American Chemical Society","1998","120","","10786","10787","10.1021/ja9823215","","","0.71073","MoKα","","0.0987","0.0602","","","0.1485","0.1689","","","","","","1.035","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116857","16.313","0.0006","9.759","0.0003","11.3006","0.0004","90","","94.986","0.002","90","","1792.23","0.11","213","2","213","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 O3 -","- C18 H30 O3 -","- C72 H120 O12 -","4","1","","Chuo Chen; Mark E. Layton; Matthew D. Shair","Stereospecific Synthesis of the CP-263,114 Core Structure","Journal of the American Chemical Society","1998","120","","10784","10785","10.1021/ja982581m","","","0.71073","MoKα","","0.1147","0.0454","","","0.0791","0.0847","","","","","","1.167","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116858","16.7964","0.0002","15.6983","0.0002","22.3627","0.0001","90","","90","","90","","5896.48","0.11","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H30 O P2 Pd -","- C36 H30 O P2 Pd -","- C288 H240 O8 P16 Pd8 -","8","1","","W. Donald Cotter; Lauren Barbour; Kristin L. McNamara; Rachel Hechter; Rene J. Lachicotte","Thermodynamics and Mechanism of the Reversible Tin-to-Palladium Transmetalation of the Furyl Group","Journal of the American Chemical Society","1998","120","","11016","11017","10.1021/ja980901w","","","0.71073","MoKα","","0.0364","0.0306","","0.0724","0.0701","","","","1.128","1.151","1.151","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116859","12.929","0.0007","15.1174","0.0001","32.5768","0.0004","90","","90","","90","","6367.2","0.4","180.2","","180.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H74 N6 P2 Si4 Ta2 -","- C60 H68 N6 P2 Si4 Ta2 -","- C240 H272 N24 P8 Si16 Ta8 -","4","1","","Michael D. Fryzuk; Samuel A. Johnson; Steven J. Rettig","New Mode of Coordination for the Dinitrogen Ligand: A Dinuclear Tantalum Complex with a Bridging N2 Unit That Is Both Side-On and End-On","Journal of the American Chemical Society","1998","120","","11024","11025","10.1021/ja982377z","","","0.7107","MoKα","","0.0649","0.037","","0.0654","","0.0654","","","1.776","","","1.776","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116860","22.1812","0.0003","8.6093","0.0003","18.0832","0.0003","90","","90","","90","","3453.25","0.14","180.2","","180.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H46 N2 P Si2 Ta -","- C33 H46 N2 P Si2 Ta -","- C132 H184 N8 P4 Si8 Ta4 -","4","1","","Michael D. Fryzuk; Samuel A. Johnson; Steven J. Rettig","New Mode of Coordination for the Dinitrogen Ligand: A Dinuclear Tantalum Complex with a Bridging N2 Unit That Is Both Side-On and End-On","Journal of the American Chemical Society","1998","120","","11024","11025","10.1021/ja982377z","","","0.7107","MoKα","","0.0518","0.031","","0.0503","","0.0503","","","1.71","","","1.71","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116861","13.2548","0.0003","22.7936","0.0004","25.9767","0.0006","98.537","0.001","103.895","0.001","100.122","0.001","7349.2","0.3","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C81 H89.5 B Fe2 N5 O6.75 -","- C81 H85.5 B Fe2 N5 O6.75 -","- C324 H342 B4 Fe8 N20 O27 -","4","2","","Tadashi J. Mizoguchi; Stephen J. Lippard","Synthetic Models of the Deoxy and Oxy Forms of the Non-Heme Dioxygen-Binding Protein Hemerythrin","Journal of the American Chemical Society","1998","120","","11022","11023","10.1021/ja982417z","","","0.71073","MoKα","","0.0735","0.052","","","0.1506","0.1657","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116862","8.5456","0.001","6.2065","0.0007","22.984","0.003","90","","96.79","0.01","90","","1210.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-Bis(2-methylpropyl)sulfamide","","- C8 H20 N2 O2 S -","- C8 H20 N2 O2 S -","- C32 H80 N8 O8 S4 -","4","0.5","","Bing Gong; Chong Zheng; Ewa Skrzypczak-Jankun; Yinfa Yan; Jianhua Zhang","A Robust Two-Dimensional Hydrogen-Bonded Network: The Sulfamide Moiety as a New Building Block for the Design of Molecular Solids","Journal of the American Chemical Society","1998","120","","11194","11195","10.1021/ja981707c","","","0.71073","MoKα","","0.1194","0.0939","","","0.2568","0.2762","","","","","","1.104","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116863","8.2596","0.0002","5.8721","0.0002","28.602","0.0009","90","","91.49","0.001","90","","1386.76","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C14H16N2O2S","n,n'-bis(phenylmethyl)sulfamide","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C56 H64 N8 O8 S4 -","4","1","","Bing Gong; Chong Zheng; Ewa Skrzypczak-Jankun; Yinfa Yan; Jianhua Zhang","A Robust Two-Dimensional Hydrogen-Bonded Network: The Sulfamide Moiety as a New Building Block for the Design of Molecular Solids","Journal of the American Chemical Society","1998","120","","11194","11195","10.1021/ja981707c","","","0.71073","MoKα","","0.0825","0.0659","","0.1656","0.1549","","","","1.241","1.263","1.263","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116864","8.653","0.0005","5.5969","0.0003","21.4247","0.0012","90","","99.644","0.001","90","","1022.93","0.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","C6H14N4O4S","N,N'-Bis(2-aminocarbonylethyl)sulfamide","","- C6 H14 N4 O4 S -","- C6 H14 N4 O4 S -","- C24 H56 N16 O16 S4 -","4","0.5","","Bing Gong; Chong Zheng; Ewa Skrzypczak-Jankun; Yinfa Yan; Jianhua Zhang","A Robust Two-Dimensional Hydrogen-Bonded Network: The Sulfamide Moiety as a New Building Block for the Design of Molecular Solids","Journal of the American Chemical Society","1998","120","","11194","11195","10.1021/ja981707c","","","0.71073","MoKα","","0.0437","0.0415","","0.1193","0.117","","","","1.149","1.155","1.155","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116865","10.313","0.001","11.26","0.002","10.102","0.002","115.48","0.01","93.8","0.01","112.16","0.01","943.4","0.3","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C4 H26 F6 N4 O8 Pt2 Si -","- C4 H18 F6 N4 O8 Pt2 Si -","- C8 H36 F12 N8 O16 Pt4 Si2 -","2","1","","Ken Sakai; Masao Takeshita; Yuko Tanaka; Takuma Ue; Masayuki Yanagisawa; Masaya Kosaka; Taro Tsubomura; Masamichi Ato; Takeo Nakano","A New One-Dimensional Platinum System Consisting of Carboxylate-Bridged cis-Diammineplatinum Dimers1","Journal of the American Chemical Society","1998","120","","11353","11363","10.1021/ja980055p","","","0.71069","MoKα","","0.0524","0.0395","","0.0384","0.0375","","","","","2.17","2.17","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116866","12.819","0.002","10.487","0.002","9.253","0.002","90","","90","","90","","1243.9","0.4","296","","296","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C2 H16 F6 N4 O3 Pt2 Si -","- C H14.5 F5 N4 O2.5 Pt2 Si0.5 -","- C4 H58 F20 N16 O10 Pt8 Si2 -","4","0.5","","Ken Sakai; Masao Takeshita; Yuko Tanaka; Takuma Ue; Masayuki Yanagisawa; Masaya Kosaka; Taro Tsubomura; Masamichi Ato; Takeo Nakano","A New One-Dimensional Platinum System Consisting of Carboxylate-Bridged cis-Diammineplatinum Dimers1","Journal of the American Chemical Society","1998","120","","11353","11363","10.1021/ja980055p","","","0.71069","MoKα","","0.1195","0.0612","","0.0585","0.0552","","","","","2.85","2.85","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116867","14.498","0.002","15.401","0.002","10.482","0.002","90","","127.25","0.006","90","","1863","0.5","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H26 F6 N4 O10 Pt2 Si -","- C4 H12 F6 N4 O10 Pt2 Si0.5 -","- C16 H48 F24 N16 O40 Pt8 Si2 -","4","0.5","","Ken Sakai; Masao Takeshita; Yuko Tanaka; Takuma Ue; Masayuki Yanagisawa; Masaya Kosaka; Taro Tsubomura; Masamichi Ato; Takeo Nakano","A New One-Dimensional Platinum System Consisting of Carboxylate-Bridged cis-Diammineplatinum Dimers1","Journal of the American Chemical Society","1998","120","","11353","11363","10.1021/ja980055p","","","0.71069","MoKα","","0.0843","0.0442","","0.0434","0.0394","","","","","1.64","1.64","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116868","12.689","0.002","10.687","0.003","9.939","0.002","90","","90","","90","","1347.8","0.5","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 H16 N6 O10 Pt2 -","- C H13.5 N5 O8.5 Pt2 -","- C4 H54 N20 O34 Pt8 -","4","0.5","","Ken Sakai; Masao Takeshita; Yuko Tanaka; Takuma Ue; Masayuki Yanagisawa; Masaya Kosaka; Taro Tsubomura; Masamichi Ato; Takeo Nakano","A New One-Dimensional Platinum System Consisting of Carboxylate-Bridged cis-Diammineplatinum Dimers1","Journal of the American Chemical Society","1998","120","","11353","11363","10.1021/ja980055p","","","0.71069","MoKα","","0.1006","0.0561","","0.0484","0.045","","","","","2.02","2.02","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116869","19.078","0.004","17.014","0.003","21.212","0.002","90","","109.84","0.01","90","","6476.6","1.9","296","","296","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H66 B2 F14 N10 O15 Pt5 Si -","- C42 H60 B2 F14 N10 O15 Pt5 Si -","- C168 H240 B8 F56 N40 O60 Pt20 Si4 -","4","1","","Ken Sakai; Masao Takeshita; Yuko Tanaka; Takuma Ue; Masayuki Yanagisawa; Masaya Kosaka; Taro Tsubomura; Masamichi Ato; Takeo Nakano","A New One-Dimensional Platinum System Consisting of Carboxylate-Bridged cis-Diammineplatinum Dimers1","Journal of the American Chemical Society","1998","120","","11353","11363","10.1021/ja980055p","","","1.54178","CuKα","","0.0713","0.0561","","0.0512","0.0501","","","","","2.43","2.43","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116870","13.4268","0.0002","25.8258","0.0001","14.5918","0.0002","90","","90","","90","","5059.82","0.1","213","2","213","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C31 H25 B Cl13 N8 Zr6 -","- C31 H25 B Cl13 N8 Zr6 -","- C124 H100 B4 Cl52 N32 Zr24 -","4","0.5","","Xiaobing Xie; Joseph H. Reibenspies; Timothy Hughbanks","Probing the Coordination Chemistry of [Zr6BCl12]+: A Cluster Especially Amenable to NMR Study","Journal of the American Chemical Society","1998","120","","11391","11400","10.1021/ja981736n","","","0.71073","MoKα","","0.1046","0.0625","","0.1228","0.1038","","","","1.206","1.244","1.244","","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4116871","14.5999","0.0003","21.2298","0.0005","19.8292","0.0005","90","","101.892","0.001","90","","6014.2","0.2","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 B Cl14 N8 Zr6 -","- C40 H30 B Cl14 N8 Zr6 -","- C160 H120 B4 Cl56 N32 Zr24 -","4","0.5","","Xiaobing Xie; Joseph H. Reibenspies; Timothy Hughbanks","Probing the Coordination Chemistry of [Zr6BCl12]+: A Cluster Especially Amenable to NMR Study","Journal of the American Chemical Society","1998","120","","11391","11400","10.1021/ja981736n","","","0.71073","MoKα","","0.0729","0.0455","","0.1036","0.0863","","","","1.144","1.119","1.119","","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4116872","17.9274","0.0001","15.3423","0.0002","15.3487","0.0002","90","","108.058","0.001","90","","4013.68","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H28.5 Cl Hg O5 -","- C19.5 H28.5 Cl Hg O5 -","- C156 H228 Cl8 Hg8 O40 -","8","2","","Leo A. Paquette; David G. Bolin; Marshall Stepanian; Bruce M. Branan; Uppuluri V. Mallavadhani; Jinsung Tae; Shawn W. E. Eisenberg; Robin D. Rogers","Intramolecular Oxymercuration of Stereoisomeric Cyclohexyl-Belted Poly(spirotetrahydrofuranyl) Platforms","Journal of the American Chemical Society","1998","120","","11603","11615","10.1021/ja981756p","","","0.71069","MoKα","","0.0781","0.0438","","0.1014","0.0874","","","","1.022","1.073","1.073","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116873","13.4444","0.0002","10.6535","0.0001","26.4148","0.0003","90","","98.021","0.001","90","","3746.38","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 Cl Hg O5 -","- C18 H25 Cl Hg O5 -","- C144 H200 Cl8 Hg8 O40 -","8","2","","Leo A. Paquette; David G. Bolin; Marshall Stepanian; Bruce M. Branan; Uppuluri V. Mallavadhani; Jinsung Tae; Shawn W. E. Eisenberg; Robin D. Rogers","Intramolecular Oxymercuration of Stereoisomeric Cyclohexyl-Belted Poly(spirotetrahydrofuranyl) Platforms","Journal of the American Chemical Society","1998","120","","11603","11615","10.1021/ja981756p","","","0.71073","MoKα","","0.1","0.0663","","0.1796","0.1487","","","","1.228","1.253","1.253","","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4116874","8.6396","0.0002","7.4269","0.0002","16.2254","0.0003","90","","99.499","0.001","90","","1026.83","0.04","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H31 Cl Hg O5 -","- C21 H31 Cl Hg O5 -","- C42 H62 Cl2 Hg2 O10 -","2","1","","Leo A. Paquette; David G. Bolin; Marshall Stepanian; Bruce M. Branan; Uppuluri V. Mallavadhani; Jinsung Tae; Shawn W. E. Eisenberg; Robin D. Rogers","Intramolecular Oxymercuration of Stereoisomeric Cyclohexyl-Belted Poly(spirotetrahydrofuranyl) Platforms","Journal of the American Chemical Society","1998","120","","11603","11615","10.1021/ja981756p","","","0.71073","MoKα","","0.0333","0.0304","","0.0778","0.0759","","","","1.094","1.113","1.113","","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4116875","9.1663","0.0002","16.0242","0.0004","14.9673","0.0004","90","","103.375","0.001","90","","2138.81","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H31 Cl Hg O5 -","- C21 H31 Cl Hg O5 -","- C84 H124 Cl4 Hg4 O20 -","4","1","","Leo A. Paquette; David G. Bolin; Marshall Stepanian; Bruce M. Branan; Uppuluri V. Mallavadhani; Jinsung Tae; Shawn W. E. Eisenberg; Robin D. Rogers","Intramolecular Oxymercuration of Stereoisomeric Cyclohexyl-Belted Poly(spirotetrahydrofuranyl) Platforms","Journal of the American Chemical Society","1998","120","","11603","11615","10.1021/ja981756p","","","0.71073","MoKα","","0.0768","0.0446","","0.0789","0.0701","","","","1.053","1.124","1.124","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116876","11.893","0.003","8.88","0.002","17.627","0.005","90","","96.127","0.004","90","","1851","0.8","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 Cl Hg O5 -","- C18 H25 Cl Hg O5 -","- C72 H100 Cl4 Hg4 O20 -","4","1","","Leo A. Paquette; David G. Bolin; Marshall Stepanian; Bruce M. Branan; Uppuluri V. Mallavadhani; Jinsung Tae; Shawn W. E. Eisenberg; Robin D. Rogers","Intramolecular Oxymercuration of Stereoisomeric Cyclohexyl-Belted Poly(spirotetrahydrofuranyl) Platforms","Journal of the American Chemical Society","1998","120","","11603","11615","10.1021/ja981756p","","","0.71073","MoKα","","0.0324","0.0291","","0.0844","0.0754","","","","1.056","1.067","1.067","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116877","7.2196","0.0002","16.792","0.0003","34.1423","0.0006","90","","94.25","","90","","4127.74","0.15","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H31 Cl Hg O5 -","- C21 H31 Cl Hg O5 -","- C168 H248 Cl8 Hg8 O40 -","8","2","","Leo A. Paquette; David G. Bolin; Marshall Stepanian; Bruce M. Branan; Uppuluri V. Mallavadhani; Jinsung Tae; Shawn W. E. Eisenberg; Robin D. Rogers","Intramolecular Oxymercuration of Stereoisomeric Cyclohexyl-Belted Poly(spirotetrahydrofuranyl) Platforms","Journal of the American Chemical Society","1998","120","","11603","11615","10.1021/ja981756p","","","0.71073","MoKα","","0.0433","0.0372","","0.094","0.0812","","","","1.213","1.234","1.234","","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4116878","32.5362","0.001","8.5614","0.0002","30.5157","0.0009","90","","100.445","0.002","90","","8359.5","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H31 Cl Hg O5 -","- C21 H31 Cl Hg O5 -","- C336 H496 Cl16 Hg16 O80 -","16","2","","Leo A. Paquette; David G. Bolin; Marshall Stepanian; Bruce M. Branan; Uppuluri V. Mallavadhani; Jinsung Tae; Shawn W. E. Eisenberg; Robin D. Rogers","Intramolecular Oxymercuration of Stereoisomeric Cyclohexyl-Belted Poly(spirotetrahydrofuranyl) Platforms","Journal of the American Chemical Society","1998","120","","11603","11615","10.1021/ja981756p","","","0.71073","MoKα","","0.0712","0.0442","","0.1147","0.0839","","","","1.058","1.109","1.109","","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4116879","16.9663","0.0003","15.3304","0.0002","7.7748","0.0001","90","","90","","90","","2022.23","0.05","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H31 Cl Hg O5 -","- C21 H31 Cl Hg O5 -","- C84 H124 Cl4 Hg4 O20 -","4","1","","Leo A. Paquette; David G. Bolin; Marshall Stepanian; Bruce M. Branan; Uppuluri V. Mallavadhani; Jinsung Tae; Shawn W. E. Eisenberg; Robin D. Rogers","Intramolecular Oxymercuration of Stereoisomeric Cyclohexyl-Belted Poly(spirotetrahydrofuranyl) Platforms","Journal of the American Chemical Society","1998","120","","11603","11615","10.1021/ja981756p","","","0.71073","MoKα","","0.0422","0.0278","","0.0555","0.0524","","","","0.893","0.971","0.971","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116880","22.5772","0.0007","9.4092","0.0003","16.9302","0.0005","90","","90","","90","","3596.54","0.19","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H25 Cl Hg O5 -","- C18 H25 Cl Hg O5 -","- C144 H200 Cl8 Hg8 O40 -","8","1","","Leo A. Paquette; David G. Bolin; Marshall Stepanian; Bruce M. Branan; Uppuluri V. Mallavadhani; Jinsung Tae; Shawn W. E. Eisenberg; Robin D. Rogers","Intramolecular Oxymercuration of Stereoisomeric Cyclohexyl-Belted Poly(spirotetrahydrofuranyl) Platforms","Journal of the American Chemical Society","1998","120","","11603","11615","10.1021/ja981756p","","","0.71073","MoKα","","0.0536","0.0261","","0.0795","0.0491","","","","1.002","1.068","1.068","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116881","7.3892","0.0005","8.8881","0.0006","14.6133","0.0009","77.756","0.001","78.078","0.001","75.247","0.001","895.09","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 Cl Hg O5 -","- C18 H25 Cl Hg O5 -","- C36 H50 Cl2 Hg2 O10 -","2","1","","Leo A. Paquette; David G. Bolin; Marshall Stepanian; Bruce M. Branan; Uppuluri V. Mallavadhani; Jinsung Tae; Shawn W. E. Eisenberg; Robin D. Rogers","Intramolecular Oxymercuration of Stereoisomeric Cyclohexyl-Belted Poly(spirotetrahydrofuranyl) Platforms","Journal of the American Chemical Society","1998","120","","11603","11615","10.1021/ja981756p","","","0.71073","MoKα","","0.0403","0.0356","","0.0896","0.085","","","","1.02","1.065","1.065","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116882","15.349","0.002","17.651","0.002","18.949","0.002","93.92","0.02","96.969","0.012","115.655","0.008","4551.4","1","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","(Cl-por)(Bu4NBr)0.83.3(DMSO)","","- C91.32 H97.98 Br0.83 Cl4 N12.83 O7 S3 -","- C91.3276 H97.987 Br0.833 Cl4 N12.833 O7 S3 -","- C182.655 H195.974 Br1.666 Cl8 N25.666 O14 S6 -","2","1","","Raymond C. Jagessar; Maoyu Shang; W. Robert Scheidt; Dennis H. Burns","Neutral Ligands for Selective Chloride Anion Complexation: (α,α,α,α)-5,10,15,20-Tetrakis(2-(arylurea)phenyl)porphyrins","Journal of the American Chemical Society","1998","120","","11684","11692","10.1021/ja982052i","","","0.71073","MoKα","","0.1418","0.0768","","0.218","0.1759","","","","1.016","1.098","1.098","","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4116883","14.677","0.003","15.853","0.002","22.542","0.002","98.412","0.014","93.934","0.007","106.595","0.008","4938.6","1.3","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","(Cl-por)(Bu4NBr)0.75 .5(Me2SO)","","- C94.11 H107.25 Br0.75 Cl4 N12.76 O9 S5 -","- C94.112 H107.252 Br0.757 Cl4 N12.757 O9 S5 -","- C188.224 H214.504 Br1.514 Cl8 N25.514 O18 S10 -","2","1","","Raymond C. Jagessar; Maoyu Shang; W. Robert Scheidt; Dennis H. Burns","Neutral Ligands for Selective Chloride Anion Complexation: (α,α,α,α)-5,10,15,20-Tetrakis(2-(arylurea)phenyl)porphyrins","Journal of the American Chemical Society","1998","120","","11684","11692","10.1021/ja982052i","","","0.71073","MoKα","","0.1679","0.0936","","0.2841","0.2276","","","","1.014","1.124","1.124","","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4116884","14.6619","0.0006","15.8465","0.0014","22.527","0.003","98.407","0.015","93.773","0.007","107.029","0.008","4917.9","0.9","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H116 Cl5 N13 O9 S5 -","- C98 H116 Cl5 N13 O9 S5 -","- C196 H232 Cl10 N26 O18 S10 -","2","1","","Raymond C. Jagessar; Maoyu Shang; W. Robert Scheidt; Dennis H. Burns","Neutral Ligands for Selective Chloride Anion Complexation: (α,α,α,α)-5,10,15,20-Tetrakis(2-(arylurea)phenyl)porphyrins","Journal of the American Chemical Society","1998","120","","11684","11692","10.1021/ja982052i","","","0.71073","MoKα","","0.1361","0.0821","","0.2298","0.1903","","","","1.019","1.105","1.105","","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4116885","13.442","0.003","14.688","0.002","21.738","0.007","88.536","0.011","80.782","0.011","77.716","0.011","4139.3","1.7","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","Zn(Cl-por).5DMSO","","- C82 H78 Cl4 N12 O9 S5 Zn -","- C82 H78 Cl4 N12 O9 S5 Zn -","- C164 H156 Cl8 N24 O18 S10 Zn2 -","2","1","","Raymond C. Jagessar; Maoyu Shang; W. Robert Scheidt; Dennis H. Burns","Neutral Ligands for Selective Chloride Anion Complexation: (α,α,α,α)-5,10,15,20-Tetrakis(2-(arylurea)phenyl)porphyrins","Journal of the American Chemical Society","1998","120","","11684","11692","10.1021/ja982052i","","","0.71073","MoKα","","0.1524","0.0823","","0.1955","0.1572","","","","1.031","1.107","1.107","","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4116886","18.18","0.003","11.754","0.002","11.214","0.002","90","","90.3","0.1","90","","2396.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Boc-[Hms(Ipr)]2-OMe","","","- C20 H34 N2 O9 -","- C20 H34 N2 O9 -","- C80 H136 N8 O36 -","4","1","","Wojciech M. Wolf; Marcin Stasiak; Miroslav T. Leplawy; Alberto Bianco; Fernando Formaggio; Marco Crisma; Claudio Toniolo","Destabilization of the 310-Helix in Peptides Based on Cα-Tetrasubstituted α-Amino Acids by Main-Chain to Side-Chain Hydrogen Bonds","Journal of the American Chemical Society","1998","120","","11558","11566","10.1021/ja982194c","","","0.71073","MoKα","","0.0965","0.0459","","0.1669","0.1358","","","","1.064","1.199","1.199","","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4116887","11.243","0.002","11.451","0.002","13.122","0.003","84.47","0.03","80.2","0.03","77.9","0.03","1624.5","0.6","293","","293","","","","","","","","","4","P -1","-P 1","2","Z-[HmS(Ipr)]3-OMe","","","- C30 H43 N3 O12 -","- C30 H43 N3 O12 -","- C60 H86 N6 O24 -","2","1","","Wojciech M. Wolf; Marcin Stasiak; Miroslav T. Leplawy; Alberto Bianco; Fernando Formaggio; Marco Crisma; Claudio Toniolo","Destabilization of the 310-Helix in Peptides Based on Cα-Tetrasubstituted α-Amino Acids by Main-Chain to Side-Chain Hydrogen Bonds","Journal of the American Chemical Society","1998","120","","11558","11566","10.1021/ja982194c","","","1.54178","CuKα","","0.0865","0.0467","","","0.1472","0.1716","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116888","11.182","0.002","21.51","0.003","18.033","0.003","90","","95.6","0.1","90","","4316.7","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Z-[Hms(Ipr)]4-OMe acetone solvate","","","- C40 H60 N4 O16 -","- C40 H60 N4 O16 -","- C160 H240 N16 O64 -","4","1","","Wojciech M. Wolf; Marcin Stasiak; Miroslav T. Leplawy; Alberto Bianco; Fernando Formaggio; Marco Crisma; Claudio Toniolo","Destabilization of the 310-Helix in Peptides Based on Cα-Tetrasubstituted α-Amino Acids by Main-Chain to Side-Chain Hydrogen Bonds","Journal of the American Chemical Society","1998","120","","11558","11566","10.1021/ja982194c","","","1.54178","CuKα","","0.2948","0.0768","","0.2201","0.1588","","","","0.742","1.25","1.25","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116889","11.632","0.002","11.945","0.002","19.1","0.002","98.73","0.03","102.87","0.03","98.24","0.03","2513.6","0.8","293","","293","","","","","","","","","4","P -1","-P 1","2","Z-[HmS(Ipr)]5-OMe","","","- C44 H65 N5 O18 -","- C44 H65 N5 O18 -","- C88 H130 N10 O36 -","2","1","","Wojciech M. Wolf; Marcin Stasiak; Miroslav T. Leplawy; Alberto Bianco; Fernando Formaggio; Marco Crisma; Claudio Toniolo","Destabilization of the 310-Helix in Peptides Based on Cα-Tetrasubstituted α-Amino Acids by Main-Chain to Side-Chain Hydrogen Bonds","Journal of the American Chemical Society","1998","120","","11558","11566","10.1021/ja982194c","","","1.54178","CuKα","","0.1428","0.0802","","","0.2151","0.2485","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116890","17.127","0.0002","20.3437","0.0004","24.4755","0.0004","82.6712","0.0004","86.6043","0.0012","81.0029","0.0009","8347.5","0.2","198","2","198","2","","","","","","","","9","P -1","-P 1","2","","","","- C294 H208 B4 Cl20 F80 N8 O8 P8 Rh4 -","- C294 H208 B4 Cl20 F80 N8 O8 P8 Rh4 -","- C294 H208 B4 Cl20 F80 N8 O8 P8 Rh4 -","1","0.5","","Joshua R. Farrell; Chad A. Mirkin; Louise M. Liable-Sands; Arnold L. Rheingold","Strategy for Preparing Molecular Cylinders with Synthetically Programmable Structural Parameters","Journal of the American Chemical Society","1998","120","","11834","11835","10.1021/ja982688+","","","0.71073","MoKα","","0.2309","0.09","","","0.2185","0.2706","","","","","","0.966","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4116891","8.884","0.002","10.67","0.002","15.62","0.003","74.23","0.03","76.75","0.03","67.19","0.03","1300.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N13 O10 Pt -","- C18 H23 N13 O10 Pt -","- C36 H46 N26 O20 Pt2 -","2","1","","Roland K. O. Sigel; Eva Freisinger; Susanne Metzger; Bernhard Lippert","Metalated Nucleobase Quartets: Dimerization of a Metal-Modified Guanine, Cytosine Pair of trans-(NH3)2PtII and Formation of CH...N Hydrogen Bonds","Journal of the American Chemical Society","1998","120","","12000","12007","10.1021/ja981637+","","","0.71069","MoKα","","0.0452","0.0301","","0.0625","0.0595","","","","0.932","1.016","1.016","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116892","10.562","0.002","7.291","0.001","15.259","0.003","90","","106.81","0.03","90","","1124.8","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 H21 F3 N10 O5 Pt S -","- C13 H16 F3 N10 O5 Pt S -","- C26 H32 F6 N20 O10 Pt2 S2 -","2","1","","Roland K. O. Sigel; Eva Freisinger; Susanne Metzger; Bernhard Lippert","Metalated Nucleobase Quartets: Dimerization of a Metal-Modified Guanine, Cytosine Pair of trans-(NH3)2PtII and Formation of CH...N Hydrogen Bonds","Journal of the American Chemical Society","1998","120","","12000","12007","10.1021/ja981637+","","","0.71073","MoKα","","0.0864","0.0421","","0.106","0.093","","","","0.953","1.086","1.086","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116893","14.844","0.007","21.276","0.007","30.941","0.006","90","","90.24","0.03","90","","9772","6","293.2","","293.2","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H76 Mo2 N12 O7 P4 Pd2 -","- C104 H100 Mo2 N12 O9 P4 Pd2 -","- C416 H400 Mo8 N48 O36 P16 Pd8 -","4","0.5","","Kazushi Mashima; Atsushi Fukumoto; Hiroshi Nakano; Yutaka Kaneda; Kazuhide Tani; Akira Nakamura","Dative Pd(0)-Mo(II) Bonds in a Linearly Aligned Tetrametal System: Preparation, Characterization, and Reaction of a Tetranuclear Pd(0)-Mo(II)-Mo(II)-Pd(0) Supported by Four 6-Diphenylphosphino-2-pyridonate Ligands","Journal of the American Chemical Society","1998","120","","12151","12152","10.1021/ja9817702","","","0.7107","MoKα","","","0.052","","","0.05","","","","","1.97","1.97","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116894","26.72","0.01","12.5","0.01","24.98","0.01","90","","104.27","0.03","90","","8086","8","296.2","","296.2","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C74 H64 Cl12 Mo2 N4 O4 P4 Pd2 -","- C140 Cl8 Mo4 N8 O8 P8 Pd4 -","- C560 Cl32 Mo16 N32 O32 P32 Pd16 -","4","0.5","","Kazushi Mashima; Atsushi Fukumoto; Hiroshi Nakano; Yutaka Kaneda; Kazuhide Tani; Akira Nakamura","Dative Pd(0)-Mo(II) Bonds in a Linearly Aligned Tetrametal System: Preparation, Characterization, and Reaction of a Tetranuclear Pd(0)-Mo(II)-Mo(II)-Pd(0) Supported by Four 6-Diphenylphosphino-2-pyridonate Ligands","Journal of the American Chemical Society","1998","120","","12151","12152","10.1021/ja9817702","","","0.7107","MoKα","","","0.062","","","0.062","","","","","2.11","2.11","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116895","10.7768","0.0003","14.2356","0.0003","15.1219","0.0004","107.549","0.001","98.414","0.001","105.762","0.001","2061.87","0.09","188","2","188","2","","","","","","","","5","P -1","-P 1","2","[Fe2(m-O2CAr)2(O2CAr)2(THF)2]","","","- C47 H42 Cl2 Fe O5 -","- C47 H42 Cl2 Fe O5 -","- C94 H84 Cl4 Fe2 O10 -","2","1","","Dongwhan Lee; Stephen J. Lippard","Structural and Functional Models of the Dioxygen-Activating Centers of Non-Heme Diiron Enzymes Ribonucleotide Reductase and Soluble Methane Monooxygenase","Journal of the American Chemical Society","1998","120","","12153","12154","10.1021/ja9831094","","","0.71073","MoKα","","0.0884","0.0517","","","0.132","0.1542","","","","","","0.879","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4116896","10.6013","0.0007","13.599","0.0009","14.9139","0.001","68.848","0.001","71.541","0.001","78.886","0.002","1894.6","0.2","188","2","188","2","","","","","","","","5","P -1","-P 1","2","[Fe2(m-O2CAr)2(O2CAr)2(py)2]","","","- C94 H78 Fe2 N2 O8 -","- C94 H78 Fe2 N2 O8 -","- C94 H78 Fe2 N2 O8 -","1","0.5","","Dongwhan Lee; Stephen J. Lippard","Structural and Functional Models of the Dioxygen-Activating Centers of Non-Heme Diiron Enzymes Ribonucleotide Reductase and Soluble Methane Monooxygenase","Journal of the American Chemical Society","1998","120","","12153","12154","10.1021/ja9831094","","","0.71073","MoKα","","0.1336","0.0677","","","0.1333","0.168","","","","","","0.995","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116897","11.1846","0.0002","17.3132","0.0002","22.5524","0.0003","84.479","0.001","84.129","0.001","73.605","0.001","4157.14","0.11","188","2","188","2","","","","","","","","6","P -1","-P 1","2","[Fe2(m-O2CAr)2(O2CAr)2(1-MeIm)2]","","","- C94 H80 Cl4 Fe2 N4 O8 -","- C93.87 H80 Cl2.63 Fe2 N4 O8 -","- C187.74 H160 Cl5.26 Fe4 N8 O16 -","2","1","","Dongwhan Lee; Stephen J. Lippard","Structural and Functional Models of the Dioxygen-Activating Centers of Non-Heme Diiron Enzymes Ribonucleotide Reductase and Soluble Methane Monooxygenase","Journal of the American Chemical Society","1998","120","","12153","12154","10.1021/ja9831094","","","0.71073","MoKα","","0.1188","0.0671","","","0.1673","0.1968","","","","","","1.023","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4116898","13.7957","0.0002","15.4489","0.0002","22.2731","0.0001","91.895","0.001","102.289","0.001","103.751","0.001","4487.78","0.09","188","2","188","2","","","","","","","","6","P -1","-P 1","2","[Fe2(m-OH)2(m-O2CAr)2(O2CAr)2(py)2]","","","- C97 H80 Cl6 Fe2 N2 O10 -","- C97.187 H80 Cl6.245 Fe2 N2 O10 -","- C194.374 H160 Cl12.49 Fe4 N4 O20 -","2","1","","Dongwhan Lee; Stephen J. Lippard","Structural and Functional Models of the Dioxygen-Activating Centers of Non-Heme Diiron Enzymes Ribonucleotide Reductase and Soluble Methane Monooxygenase","Journal of the American Chemical Society","1998","120","","12153","12154","10.1021/ja9831094","","","0.71073","MoKα","","0.0932","0.0633","","","0.1706","0.1904","","","","","","1.047","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4116899","14.546","0.003","8.343","0.002","22.604","0.005","90","","95.74","0.03","90","","2729.4","1.1","120","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,6,10-Tris(N-pyrrolidinyl)trioxatriangulenium hexafluoro- phosphate","","- C31 H30 F6 N3 O3 P -","- C31 H30 F6 N3 O3 P -","- C124 H120 F24 N12 O12 P4 -","4","1","","Bo W. Laursen; Frederik C. Krebs; Merete F. Nielsen; Klaus Bechgaard; Jørn B. Christensen; Niels Harrit","2,6,10-Tris(dialkylamino)trioxatriangulenium Ions. Synthesis, Structure, and Properties of Exceptionally Stable Carbenium Ions","Journal of the American Chemical Society","1998","120","","12255","12263","10.1021/ja982550r","","","0.71073","MoKα","","0.2431","0.0881","","0.2507","0.1705","","","","1.025","1.181","1.181","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116900","15.1677","0.0003","11.5677","0.0003","14.4477","0.0003","90","","101.055","0.002","90","","2487.89","0.1","138","2","138","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H26 B F4 O2 Re -","- C26 H26 B F4 O2 Re -","- C104 H104 B4 F16 O8 Re4 -","4","1","","Charles P. Casey; John T. Brady; Timothy M. Boller; Frank Weinhold; Randy K. Hayashi","Protonation of Rhenium Alkyne Complexes Produces η3-Allyl Rhenium Complexes via Observable 1-Metallacyclopropene Intermediates","Journal of the American Chemical Society","1998","120","","12500","12511","10.1021/ja9815374","","","0.71073","MoKα","","0.0308","0.0287","","0.0712","0.0705","","","","1.06","1.093","1.093","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116901","14.555","0.002","17.001","0.004","17.179","0.004","87.49","0.02","84.48","0.02","89.16","0.02","4226.9","1.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H99 Mo4 N12 O12 -","- C92.5 H56 Mo4 N12 O12 -","- C185 H112 Mo8 N24 O24 -","2","1","","F. Albert Cotton; Lee M. Daniels; Isabelle Guimet; Robert W. Henning; Glenn T. Jordan; Chun Lin; Carlos A. Murillo; Arthur J. Schultz","Compounds with Two Metal-Metal Multiple Bonds: New Ways of Making Doublets into Cyclic Quartets","Journal of the American Chemical Society","1998","120","","12531","12538","10.1021/ja982425f","","","0.71073","MoKα","","0.098","0.0586","","0.1613","0.14","","","","1.026","1.074","1.074","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116902","16.036","0.004","17.347","0.002","17.649","0.004","90","","115.02","0.01","90","","4448.8","1.6","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H106 Mo4 N12 O2 -","- C96 H104 Mo4 N12 O2 -","- C192 H208 Mo8 N24 O4 -","2","0.5","","F. Albert Cotton; Lee M. Daniels; Isabelle Guimet; Robert W. Henning; Glenn T. Jordan; Chun Lin; Carlos A. Murillo; Arthur J. Schultz","Compounds with Two Metal-Metal Multiple Bonds: New Ways of Making Doublets into Cyclic Quartets","Journal of the American Chemical Society","1998","120","","12531","12538","10.1021/ja982425f","","","0.71073","MoKα","","0.0564","0.047","","0.1298","0.1214","","","","1.056","","","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116903","28.574","0.005","35.214","0.006","19.572","0.007","90","","90","","90","","19693","9","213","2","213","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C94 H98 Mo4 N12 O3 -","- C94 H90 Mo4 N12 O3 -","- C752 H720 Mo32 N96 O24 -","8","0.5","","F. Albert Cotton; Lee M. Daniels; Isabelle Guimet; Robert W. Henning; Glenn T. Jordan; Chun Lin; Carlos A. Murillo; Arthur J. Schultz","Compounds with Two Metal-Metal Multiple Bonds: New Ways of Making Doublets into Cyclic Quartets","Journal of the American Chemical Society","1998","120","","12531","12538","10.1021/ja982425f","","","0.71073","MoKα","","0.0799","0.066","","0.1906","0.1748","","","","1.192","1.178","1.178","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116904","11.867","0.002","12.354","0.002","23.776","0.008","90","","95.99","0.02","90","","3466.6","1.4","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H72 Cl4 Mo4 N8 O10 -","- C66 H72 Cl4 Mo4 N8 O10 -","- C132 H144 Cl8 Mo8 N16 O20 -","2","0.5","","F. Albert Cotton; Lee M. Daniels; Isabelle Guimet; Robert W. Henning; Glenn T. Jordan; Chun Lin; Carlos A. Murillo; Arthur J. Schultz","Compounds with Two Metal-Metal Multiple Bonds: New Ways of Making Doublets into Cyclic Quartets","Journal of the American Chemical Society","1998","120","","12531","12538","10.1021/ja982425f","","","0.71073","MoKα","","0.0564","0.0461","","0.1173","0.1054","","","","1.166","1.136","1.136","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116905","13.105","0.004","10.392","0.002","21.29","0.007","90","","95.73","0.02","90","","2884.9","1.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Cl4 Mo4 N8 -","- C60 H60 Cl4 Mo4 N8 -","- C120 H120 Cl8 Mo8 N16 -","2","0.5","","F. Albert Cotton; Lee M. Daniels; Isabelle Guimet; Robert W. Henning; Glenn T. Jordan; Chun Lin; Carlos A. Murillo; Arthur J. Schultz","Compounds with Two Metal-Metal Multiple Bonds: New Ways of Making Doublets into Cyclic Quartets","Journal of the American Chemical Society","1998","120","","12531","12538","10.1021/ja982425f","","","0.71073","MoKα","","0.0564","0.0332","","0.0882","0.0803","","","","1.042","1.069","1.069","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116906","10.003","0.001","13.027","0.003","14.099","0.003","67.93","0.01","70.12","0.02","76.15","0.02","1588","0.6","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H52 Cl4 F8 Mo4 N8 O2 -","- C62 H36 Cl4 F8 Mo4 N8 -","- C62 H36 Cl4 F8 Mo4 N8 -","1","0.5","","F. Albert Cotton; Lee M. Daniels; Isabelle Guimet; Robert W. Henning; Glenn T. Jordan; Chun Lin; Carlos A. Murillo; Arthur J. Schultz","Compounds with Two Metal-Metal Multiple Bonds: New Ways of Making Doublets into Cyclic Quartets","Journal of the American Chemical Society","1998","120","","12531","12538","10.1021/ja982425f","","","0.71073","MoKα","","0.0532","0.048","","0.1317","0.1243","","","","1.117","1.114","1.114","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116907","13.393","0.002","10.852","0.001","22.278","0.003","90","","94.6","0.01","90","","3227.5","0.7","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 I4 Mo4 N8 O8 -","- C60 H60 I4 Mo4 N8 O8 -","- C120 H120 I8 Mo8 N16 O16 -","2","0.5","","F. Albert Cotton; Lee M. Daniels; Isabelle Guimet; Robert W. Henning; Glenn T. Jordan; Chun Lin; Carlos A. Murillo; Arthur J. Schultz","Compounds with Two Metal-Metal Multiple Bonds: New Ways of Making Doublets into Cyclic Quartets","Journal of the American Chemical Society","1998","120","","12531","12538","10.1021/ja982425f","","","0.71073","MoKα","","0.0581","0.0476","","0.1357","0.1177","","","","1.142","1.103","1.103","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116908","12.19","0.003","15.673","0.004","19.605","0.004","90","","90","","90","","3745.6","1.5","213","2","213","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C48 H108 I8 Mo4 P4 -","- C48 H108 I8 Mo4 P4 -","- C96 H216 I16 Mo8 P8 -","2","0.25","","F. Albert Cotton; Lee M. Daniels; Isabelle Guimet; Robert W. Henning; Glenn T. Jordan; Chun Lin; Carlos A. Murillo; Arthur J. Schultz","Compounds with Two Metal-Metal Multiple Bonds: New Ways of Making Doublets into Cyclic Quartets","Journal of the American Chemical Society","1998","120","","12531","12538","10.1021/ja982425f","","","0.71073","MoKα","","0.0577","0.053","","0.138","0.1335","","","","1.117","","","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116909","11.5429","0.0007","15.975","0.001","13.177","0.001","90","","113.315","0.009","90","","2231.4","0.3","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 Br12 -","- C44 H26 Br12 -","- C88 H52 Br24 -","2","0.5","","Andrzej Sygula; Peter W. Rabideau","The First Non-Pyrolytic Synthesis of a Semibuckminsterfullerene","Journal of the American Chemical Society","1998","120","","12666","12667","10.1021/ja9828760","","","1.54184","Cu-Kα","","0.073","0.067","","0.087","0.085","","","","3.83","3.752","3.752","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116910","7.951","0.005","16.819","0.003","15.189","0.006","90","","104.29","0.02","90","","1968.3","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H18 Mn2 Mo N7 O9 -","- C7 H14 Mn2 Mo N7 O9 -","- C28 H56 Mn8 Mo4 N28 O36 -","4","1","","Joulia Larionova; Rodolphe Clérac; Joaquin Sanchiz; Olivier Kahn; Stéphane Golhen; Lahcène Ouahab","Ferromagnetic Ordering, Anisotropy, and Spin Reorientation for the Cyano-Bridged Bimetallic Compound Mn2(H2O)5Mo(CN)7.4H2O (α Phase)","Journal of the American Chemical Society","1998","120","","13088","13095","10.1021/ja9739953","","","0.71073","MoKα","","0.0812","0.0351","","0.08","0.069","","","","1.027","1.075","1.075","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116911","7.885","0.003","10.406","0.007","25.233","0.011","90","","98.11","0.02","90","","2049.7","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H19.5 Mn2 Mo N7 O9.75 -","- C7 Mn2 Mo N7 O9.75 -","- C28 Mn8 Mo4 N28 O39 -","4","1","","Joulia Larionova; Rodolphe Clérac; Joaquin Sanchiz; Olivier Kahn; Stéphane Golhen; Lahcène Ouahab","Ferromagnetic Ordering, Anisotropy, and Spin Reorientation for the Cyano-Bridged Bimetallic Compound Mn2(H2O)5Mo(CN)7.4H2O (α Phase)","Journal of the American Chemical Society","1998","120","","13088","13095","10.1021/ja9739953","","","0.71073","MoKα","","0.1201","0.0475","","0.1555","0.1025","","","","1.09","1.129","1.129","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116912","9.669","0.007","9.714","0.007","7.265","0.005","90.93","0.02","105.69","0.02","118.58","0.02","568.3","0.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H32 Fe N5 O16 -","- C12 H30 Fe N5 O16 -","- C12 H30 Fe N5 O16 -","1","0.5","","M. Matzapetakis; C. P. Raptopoulou; A. Tsohos; V. Papaefthymiou; N. Moon; A. Salifoglou","Synthesis, Spectroscopic and Structural Characterization of the First Mononuclear, Water Soluble Iron-Citrate Complex, (NH4)5Fe(C6H4O7)2.2H2O","Journal of the American Chemical Society","1998","120","","13266","13267","10.1021/ja9807035","","","0.71073","MoKα","","0.0307","0.0304","","0.082","0.0816","","","","1.079","1.086","1.086","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116913","47.79","0.007","11.517","0.002","21.428","0.004","90","","92.542","0.01","90","","11782","3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31 H69 K O7 Os P2 -","- C31 H66 K O7 Os P2 -","- C372 H792 K12 O84 Os12 P24 -","12","3","","Dmitry G. Gusev; Alan J. Lough; Robert H. Morris","New Polyhydride Anions and Proton-Hydride Hydrogen Bonding in Their Ion Pairs. X-ray Crystal Structure Determinations of Q[mer-Os(H)3(CO)(PiPr3)2], Q = [K(18-crown-6)] and Q = [K(1-aza-18-crown-6)]","Journal of the American Chemical Society","1998","120","","13138","13147","10.1021/ja9817693","","","0.71073","MoKα","","0.0803","0.059","","0.1367","0.1254","","","","1.035","1.066","1.066","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116914","11.595","0.003","21.667","0.004","16.676","0.003","90","","104.608","0.015","90","","4054.1","1.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H70 K N O6 Os P2 -","- C31 H69 K N O6 Os P2 -","- C124 H276 K4 N4 O24 Os4 P8 -","4","1","","Dmitry G. Gusev; Alan J. Lough; Robert H. Morris","New Polyhydride Anions and Proton-Hydride Hydrogen Bonding in Their Ion Pairs. X-ray Crystal Structure Determinations of Q[mer-Os(H)3(CO)(PiPr3)2], Q = [K(18-crown-6)] and Q = [K(1-aza-18-crown-6)]","Journal of the American Chemical Society","1998","120","","13138","13147","10.1021/ja9817693","","","0.71073","MoKα","","0.0503","0.0323","","0.0756","0.0724","","","","0.951","1.064","1.064","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116915","9.5861","0.0001","14.4626","0.0002","20.2227","0.0004","90","","99.375","0.001","90","","2766.23","0.07","123","2","123","2","","","","","","","chemical synthesis","5","P 1 21/c 1","-P 2ybc","14","","4-Carbethoxyphenyldiazonium tetraphenylborate","","- C33 H29 B N2 O2 -","- C33 H29 B N2 O2 -","- C132 H116 B4 N8 O8 -","4","1","","S. V. Lindeman; D. Kosynkin; J. K. Kochi","Unusually Short (C-H...π) Hydrogen Bonds for Effective Supramolecular (Aromatic/Aromatic) Organization in Edge-to-Face Motifs","Journal of the American Chemical Society","1998","120","","13268","13269","10.1021/ja982945a","","","0.71073","MoKα","","0.0863","0.0485","","0.1129","0.0927","","","","1.03","1.06","1.06","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116916","9.974","0.0001","21.2237","0.0003","26.0147","0.0001","83.859","0.001","81.932","0.001","83.204","0.001","5391.19","0.1","123","2","123","2","","","","","","","chemical synthesis","5","P -1","-P 1","2","","Phenyldiazonium tetraphenylborate diiodomethane hemisolvate","","- C60.8 H51.6 B2 I1.6 N4 -","- C60.8 H51.6 B2 I1.6 N4 -","- C243.2 H206.4 B8 I6.4 N16 -","4","2","","S. V. Lindeman; D. Kosynkin; J. K. Kochi","Unusually Short (C-H...π) Hydrogen Bonds for Effective Supramolecular (Aromatic/Aromatic) Organization in Edge-to-Face Motifs","Journal of the American Chemical Society","1998","120","","13268","13269","10.1021/ja982945a","","","0.71073","MoKα","","0.1141","0.0779","","0.196","0.166","","","","1.108","1.194","1.194","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116917","9.8947","0.0002","15.9444","0.0003","17.2787","0.0002","78.666","0.001","84.8","0.001","74.33","0.001","2571.44","0.08","123","2","123","2","","","","","","","chemical synthesis","5","P -1","-P 1","2","","Phenyldiazonium tetraphenylborate acetone hemisolvate","","- C31.5 H28 B N2 O0.5 -","- C31.5 H28 B N2 O0.5 -","- C126 H112 B4 N8 O2 -","4","2","","S. V. Lindeman; D. Kosynkin; J. K. Kochi","Unusually Short (C-H...π) Hydrogen Bonds for Effective Supramolecular (Aromatic/Aromatic) Organization in Edge-to-Face Motifs","Journal of the American Chemical Society","1998","120","","13268","13269","10.1021/ja982945a","","","0.71073","MoKα","","0.1123","0.0618","","0.1589","0.1235","","","","1","1.059","1.059","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116918","11.3186","0.0001","16.4446","0.0002","15.3768","0.0001","90","","96.185","0.001","90","","2845.42","0.05","123","2","123","2","","","","","","","chemical synthesis","5","P 1 21/n 1","-P 2yn","14","","4-Methoxyphenyldiazonium tetraphenylborate / alpha-methylstyrene molecular complex 2:1","","- C35.5 H32 B N2 O -","- C35.5 H32 B N2 O -","- C142 H128 B4 N8 O4 -","4","1","","S. V. Lindeman; D. Kosynkin; J. K. Kochi","Unusually Short (C-H...π) Hydrogen Bonds for Effective Supramolecular (Aromatic/Aromatic) Organization in Edge-to-Face Motifs","Journal of the American Chemical Society","1998","120","","13268","13269","10.1021/ja982945a","","","0.71073","MoKα","","0.069","0.0549","","0.1486","0.1349","","","","1.025","1.037","1.037","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116919","10.502","0.003","10.502","0.003","14.5","0.008","90","","90","","90","","1599.2","1.1","213","2","293","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C28 H48 Cl2 N12 Pd2 -","- C28 H48 Cl2 N12 Pd2 -","- C56 H96 Cl4 N24 Pd4 -","2","0.125","","F. Albert Cotton; Jiande Gu; Carlos A. Murillo; Daren J. Timmons","The First Dinuclear Complex of Palladium(III)","Journal of the American Chemical Society","1998","120","","13280","13281","10.1021/ja9832313","","","0.71073","MoKα","","0.0534","0.0469","","0.0955","0.0917","","","","1.392","1.428","1.428","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116920","7.7094","0.0002","7.7094","0.0002","20.3266","0.0007","90","","90","","90","","1208.11","0.06","198","","198","","","","","","","","?","5","P 43 21 2","P 4nw 2abw","96","","","","- C6 H4 N O2 Zn0.5 -","- C12 H8 N2 O4 Zn -","- C48 H32 N8 O16 Zn4 -","4","0.5","","Wenbin Lin; Owen R. Evans; Ren-Gen Xiong; Zhiyong Wang","Supramolecular Engineering of Chiral and Acentric 2D Networks. Synthesis, Structures, and Second-Order Nonlinear Optical Properties of Bis(nicotinato)zinc and Bis{3-[2-(4-pyridyl)ethenyl]benzoato}cadmium","Journal of the American Chemical Society","1998","120","","13272","13273","10.1021/ja983415h","","","0.71073","MoKα","","","0.0668","","","0.0714","","","","","1.0212","1.0212","","","","","has coordinates","189822","2020-10-21","18:00:00",""
"4116921","20.6215","0.0004","36.4257","0.0002","6.2408","0.0001","90","","90","","90","","4687.79","0.12","198","","0","","","","","","","","?","5","F d d 2","F 2 -2d","43","","","","- C14 H10 Cd0.5 N O2 -","- C28 H20 Cd N2 O4 -","- C224 H160 Cd8 N16 O32 -","8","0.5","","Wenbin Lin; Owen R. Evans; Ren-Gen Xiong; Zhiyong Wang","Supramolecular Engineering of Chiral and Acentric 2D Networks. Synthesis, Structures, and Second-Order Nonlinear Optical Properties of Bis(nicotinato)zinc and Bis{3-[2-(4-pyridyl)ethenyl]benzoato}cadmium","Journal of the American Chemical Society","1998","120","","13272","13273","10.1021/ja983415h","","","0.71073","MoKα","","","0.0292","","","0.0305","","","","","1.1784","1.1784","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116922","14.3337","0.0012","26.1271","0.0004","28.7758","0.0007","90","","90","","90","","10776.5","1","180.2","","180.2","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C60 H72 N8 Zn2 -","- C60 H72 N8 Zn -","- C480 H576 N64 Zn8 -","8","0.25","","Yongjun Zhang; Alison Thompson; Steven J. Rettig; David Dolphin","The Use of Dipyrromethene Ligands in Supramolecular Chemistry","Journal of the American Chemical Society","1998","120","","13537","13538","10.1021/ja9834982","","","0.7107","MoKα","","0.0684","0.039","","0.0712","","0.0712","","","1.582","","","1.58","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116923","12.306","0.002","14.666","0.003","19.939","0.006","86.751","0.007","76.853","0.004","66.157","0.002","3202.7","1.3","180.2","","180.2","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H92 Co2 N8 -","- C70 H92 Co2 N8 -","- C140 H184 Co4 N16 -","2","1","","Yongjun Zhang; Alison Thompson; Steven J. Rettig; David Dolphin","The Use of Dipyrromethene Ligands in Supramolecular Chemistry","Journal of the American Chemical Society","1998","120","","13537","13538","10.1021/ja9834982","","","0.7107","MoKα","","0.2152","0.0697","","0.1499","","0.1499","","","1.56","","","1.56","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116924","13.477","0.006","13.836","0.006","17.128","0.005","90","","92.47","0.03","90","","3191","2","130","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Fe&^II&0(OEB-OCH&v3&0)-meso-d&v3&0","","","- C36 H46 Fe N4 O2 -","- C36 H46 Fe N4 O2 -","- C144 H184 Fe4 N16 O8 -","4","1","","Richard Koerner; Lechosoław Latos-Grażyński; Alan L. Balch","Models for Verdoheme Hydrolysis. Paramagnetic Products from the Ring Opening of Verdohemes, 5-Oxaporphyrin Complexes of Iron(II), with Methoxide Ion","Journal of the American Chemical Society","1998","120","","9246","9255","10.1021/ja980558v","","","1.54178","CuKα","","0.1223","0.0637","","0.1581","0.119","","","","1.042","1.11","1.11","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116925","17.765","0.003","17.662","0.007","12.461","0.003","90","","90","","90","","3909.8","1.9","293.2","","293.2","","","","","","","","","3","P b c a","-P 2ac 2ab","61","tetrairon acetylene cluster","","","- C24 H24 Fe4 -","- C24 Fe4 -","- C192 Fe32 -","8","1","","Masaaki Okazaki; Takeo Ohtani; Shinji Inomata; Naohiko Tagaki; Hiroshi Ogino","Reductive Coupling of Carbonyl Ligands on a Cubane-Type Tetrairon Cluster [Cp4Fe4(CO)4] or [(MeC5H4)4Fe4(CO)4] To Give an Acetylene-Coordinated Cluster [Cp4Fe4(HC\τbCH)2] or [(MeC5H4)4Fe4(HC\τbCH)2]","Journal of the American Chemical Society","1998","120","","9135","9138","10.1021/ja980669u","","","0.7107","MoKα","","","0.0565","","","0.0847","","","","","0.809","0.809","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116926","10.638","0.002","17.011","0.003","22.978","0.004","90","","97.92","0.014","90","","4118.5","1.3","247","2","247","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H60 B2 F8 Fe O2 P2 Pd -","- C38 H60 B2 F8 Fe O2 P2 Pd -","- C152 H240 B8 F32 Fe4 O8 P8 Pd4 -","4","1","","Alan M. Allgeier; Caroline S. Slone; Chad A. Mirkin; Louise M. Liable-Sands; Glenn P. A. Yap; Arnold L. Rheingold","Electrochemically Controlling Ligand Binding Affinity for Transition Metals via RHLs: The Importance of Electrostatic Effects","Journal of the American Chemical Society","1997","119","","550","559","10.1021/ja963008a","","","0.71073","MoKα","","0.09","0.0465","","0.1001","0.0899","","","","0.848","1.01","1.01","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116927","12.252","0.002","20.884","0.004","17.14","0.003","90","","110.03","0.01","90","","4120.4","1.3","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 B F4 Fe O0.5 P2 Rh S2 -","- C40 H40 B F4 Fe O0.5 P2 Rh S2 -","- C160 H160 B4 F16 Fe4 O2 P8 Rh4 S8 -","4","1","","Alan M. Allgeier; Caroline S. Slone; Chad A. Mirkin; Louise M. Liable-Sands; Glenn P. A. Yap; Arnold L. Rheingold","Electrochemically Controlling Ligand Binding Affinity for Transition Metals via RHLs: The Importance of Electrostatic Effects","Journal of the American Chemical Society","1997","119","","550","559","10.1021/ja963008a","","","0.71073","MoKα","","0.1133","0.0635","","0.2006","0.1532","","","","1.04","1.112","1.112","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116928","14.653","0.002","20.987","0.002","15.441","0.002","90","","103.41","0.01","90","","4619","1","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C41.8 H38 B2 Cl1.2 F8 Fe O2 P2 Pd -","- C41.8 H37.2 B2 Cl1.2 F8 Fe O2 P2 Pd -","- C167.2 H148.8 B8 Cl4.8 F32 Fe4 O8 P8 Pd4 -","4","1","","Alan M. Allgeier; Caroline S. Slone; Chad A. Mirkin; Louise M. Liable-Sands; Glenn P. A. Yap; Arnold L. Rheingold","Electrochemically Controlling Ligand Binding Affinity for Transition Metals via RHLs: The Importance of Electrostatic Effects","Journal of the American Chemical Society","1997","119","","550","559","10.1021/ja963008a","","","0.71073","MoKα","","0.1401","0.0723","","0.2022","0.1642","","","","1.098","1.506","1.506","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116929","9.838","0.002","17.799","0.006","21.939","0.004","90","","90","","90","","3841.7","1.7","426.4","","426.4","","","","","","","","synthesized","8","P 21 21 21","P 2ac 2ab","19","","","","- C H44 B3 F4 Fe O3 P2 Rh4 -","- C42 H44 B F4 Fe O3 P2 Rh -","- C168 H176 B4 F16 Fe4 O12 P8 Rh4 -","4","1","","Alan M. Allgeier; Caroline S. Slone; Chad A. Mirkin; Louise M. Liable-Sands; Glenn P. A. Yap; Arnold L. Rheingold","Electrochemically Controlling Ligand Binding Affinity for Transition Metals via RHLs: The Importance of Electrostatic Effects","Journal of the American Chemical Society","1997","119","","550","559","10.1021/ja963008a","","","0.7107","MoKalpha","","","0.0476","","","0.0444","","","","","1.27","1.27","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116930","6.7855","0.0005","10.5456","0.0004","23.4215","0.0013","90","","90","","90","","1675.98","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl2 N O2 S -","- C17 H17 Cl2 N O2 S -","- C68 H68 Cl8 N4 O8 S4 -","4","1","","Daniël S. van Es; Arne Egberts; Stephen Nkrumah; Hans de Nijs; Willem H. de Wolf; Friedrich Bickelhaupt; Nora Veldman; Anthony L. Spek","8,11-Dichloro-N-tosyl-3-aza[5]metacyclophane: A Highly Strained Aromatic System","Journal of the American Chemical Society","1997","119","","615","616","10.1021/ja9634987","","","0.71073","MoKa","","0.0722","0.0478","","0.0944","0.087","","","","1.028","1.083","1.083","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116931","9.1203","0.0006","9.1203","0.0006","13.0859","0.0009","90","","90","","90","","1088.48","0.13","293","2","293","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C13 H32 Cl2 Cu N4 O8 -","- C13 H30 Cl2 Cu N4 O8 -","- C26 H60 Cl4 Cu2 N8 O16 -","2","0.25","","Paul V. Bernhardt","On the Structure, Electrochemistry, and Spectroscopy of the (N,N'-Bis(2'-(dimethylamino)ethyl)-N,N'-dimethylpropane-1,3- diamine)copper(II) Ion","Journal of the American Chemical Society","1997","119","","771","774","10.1021/ja961764a","","","0.71073","MoKα","","0.1121","0.0632","","0.2162","0.1735","","","","1.072","1.134","1.134","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116932","14.766","0.001","16.287","0.002","25.284","0.002","85.7","0.01","86.19","0.01","69.34","0.01","5668.4","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H86 N8 O42 Rh28 -","- C76 H86 N8 O42 Rh28 -","- C152 H172 N16 O84 Rh56 -","2","1","","Alessandro Fumagalli; Secondo Martinengo; Giovanni Bernasconi; Gianfranco Ciani; Davide M. Proserpio; Angelo Sironi","[Rh28N4(CO)41Hx]4-, a Massive Carbonyl Cluster with Four Interstitial Nitrogen Atoms","Journal of the American Chemical Society","1997","119","","1450","1451","10.1021/ja961403v","","","0.71073","MoKα","","","0.0286","","","0.0685","","","","","1.091","1.091","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116933","6.095","0.001","7.659","0.002","10.042","0.002","101.89","0.03","93.06","0.03","94.15","0.03","456.39","0.18","293","2","293","2","","","","","","","","4","P 1","P 1","1","","(2R,3R)-O-((E)-2-((1R,2R)-2-Hydroxy-2-methylcyclopentyl)vinyl)- N,N,N',N'-tetramethylsuccinamide","","- C16 H28 N2 O5 -","- C16 H28 N2 O5 -","- C16 H28 N2 O5 -","1","1","","Gary A. Molander; J. Christopher McWilliams; Bruce C. Noll","Remote Stereochemical Control of Both Reacting Centers in Ketyl-Olefin Radical Cyclizations: Involvement of a Samarium Tridentate Ligate","Journal of the American Chemical Society","1997","119","","1265","1276","10.1021/ja963195c","","","0.71069","MoKα","","0.0549","0.039","","0.0818","0.0759","","","","1.02","1.082","1.082","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116934","12.868","0.003","19.902","0.002","27.063","0.002","90","","102.22","0.01","90","","6773.8","1.8","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H82 Ga K2 N9 O16 Ti -","- C61 H82 Ga K2 N9 O16 Ti -","- C244 H328 Ga4 K8 N36 O64 Ti4 -","4","1","","Markus Albrecht; Roland Fröhlich","Controlling the Orientation of Sequential Ligands in the Self-Assembly of Binuclear Coordination Compounds","Journal of the American Chemical Society","1997","119","","1656","1661","10.1021/ja963265f","","","0.71073","MoKα","","0.1437","0.0714","","0.2289","0.187","","","","1.036","1.124","1.124","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116935","28.45","0.07","28.45","0.07","65.84","0.2","90","","90","","90","","53291","2","98","2","98","2","","","","","","","Eli Lilly, USA (Vancocin HCl)","5","P 43 21 2","P 4nw 2abw","96","Vancomycin hydrochloride","","","- C67 H79 Cl4 N9 O47.7 -","- C67 H79 Cl4 N9 O47.705 -","- C1072 H1264 Cl64 N144 O763.28 -","16","2","","Patrick J. Loll; Anthony E. Bevivino; Brian D. Korty; Paul H. Axelsen","Simultaneous Recognition of a Carboxylate-Containing Ligand and an Intramolecular Surrogate Ligand in the Crystal Structure of an Asymmetric Vancomycin Dimer","Journal of the American Chemical Society","1997","119","","1516","1522","10.1021/ja963566p","","","0.85","synchrotronX-ray","","0.1241","0.1124","","0.3164","0.2935","","","","1.056","1.057","1.057","","","","","has coordinates,has disorder,has Fobs","176467","2020-10-21","18:00:00",""
"4116936","11.5162","0.0011","15.261","0.002","14.815","0.002","90","","103.183","0.01","90","","2535.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Me5CpMo)2Cl2(B4H10)","","- C20 H40 B4 Cl2 Mo2 -","- C20 H40 B4 Cl2 Mo2 -","- C80 H160 B16 Cl8 Mo8 -","4","1","","Simon Aldridge; Thomas P. Fehlner; Maoyu Shang","Directed Synthesis of Chromium and Molybdenum Metallaborane Clusters. Preparation and Characterization of (Cp*Cr)2B5H9, (Cp*Mo)2B5H9, and (Cp*MoCl)2B4H10","Journal of the American Chemical Society","1997","119","","2339","2340","10.1021/ja963864m","","","0.71073","MoKα","","0.083","0.0708","","0.229","0.2148","","","","1.216","1.289","1.289","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116937","10.154","0.0002","16.43","0.0003","19.8388","0.0005","89.435","0.001","84.123","0.001","82.19","","3261.75","0.12","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H99 Mg Mo2 N12 O2.5 Si6 -","- C40 H98 Mg Mo2 N12 O2.5 Si6 -","- C80 H196 Mg2 Mo4 N24 O5 Si12 -","2","1","","Myra B. O'Donoghue; Nadia C. Zanetti; William M. Davis; Richard R. Schrock","""Fixation"" of Dinitrogen by Molybdenum and the Formation of a Trigonal Planar Iron-Tris[molybdenum(dinitrogen)] Complex","Journal of the American Chemical Society","1997","119","","2753","2754","10.1021/ja963822y","","","0.71073","MoKα","","0.1018","0.0907","","0.2435","0.2274","","","","1.165","1.195","1.195","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116938","10.4926","0.0002","14.33","0.0001","26.8775","0.0006","97.285","0.001","93.267","0.001","90.163","0.002","4001.93","0.12","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.25 H120 Fe Mo3 N18 Si9 -","- C46.25 H116 Fe Mo3 N18 Si9 -","- C92.5 H232 Fe2 Mo6 N36 Si18 -","2","1","","Myra B. O'Donoghue; Nadia C. Zanetti; William M. Davis; Richard R. Schrock","""Fixation"" of Dinitrogen by Molybdenum and the Formation of a Trigonal Planar Iron-Tris[molybdenum(dinitrogen)] Complex","Journal of the American Chemical Society","1997","119","","2753","2754","10.1021/ja963822y","","","0.71073","MoKα","","0.1896","0.1345","","0.3082","0.2611","","","","1.28","1.382","1.382","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116939","17.0164","0.0002","16.9922","0.0003","34.251","","90","","90","","90","","9903.5","0.2","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H39 Mo N6 Si3 -","- C15 H39 Mo N6 Si3 -","- C240 H624 Mo16 N96 Si48 -","16","2","","Myra B. O'Donoghue; Nadia C. Zanetti; William M. Davis; Richard R. Schrock","""Fixation"" of Dinitrogen by Molybdenum and the Formation of a Trigonal Planar Iron-Tris[molybdenum(dinitrogen)] Complex","Journal of the American Chemical Society","1997","119","","2753","2754","10.1021/ja963822y","","","0.71073","MoKα","","0.0554","0.0459","","0.106","0.0969","","","","1.245","1.269","1.269","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116940","26.625","0.005","6.1358","0.001","22.047","0.003","90","","96.011","0.013","90","","3581.9","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 O Si2 -","- C17 H24 O Si2 -","- C136 H192 O8 Si16 -","8","1","","Wenwei Huang; Decai Fang; Karen Temple; Thomas T. Tidwell","Stabilized and Persistent Allenylketenes","Journal of the American Chemical Society","1997","119","","2832","2838","10.1021/ja963496m","","","0.71073","MoKα","","0.0508","0.037","","0.0983","0.0937","","","","0.925","1.015","1.015","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116941","20.418","0.002","19.2789","0.0014","37.606","0.002","90","","90","","90","","14803","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H96 B Fe2 N7 O5 -","- C84 H96 B Fe2 N7 O5 -","- C672 H768 B8 Fe16 N56 O40 -","8","1","","Jonathan D. Cohen; Sonha C. Payne; Karl S. Hagen; Joann Sanders-Loehr","Raman Evidence for a Trapped-Valence FeII-O-FeIII Complex Formed from an Outer-Sphere Reaction of Diiron(II) with Dioxygen","Journal of the American Chemical Society","1997","119","","2960","2961","10.1021/ja9638871","","","1.54178","CuKα","","0.1226","0.0816","","0.3213","0.2153","","","","1.021","1.012","1.012","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116942","20.5573","0.0009","19.3176","0.0008","37.7437","0.0014","90","","90","","90","","14988.7","1.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H95 B Fe2 N7 O5 -","- C84 H95 B Fe2 N7 O5 -","- C672 H760 B8 Fe16 N56 O40 -","8","1","","Jonathan D. Cohen; Sonha C. Payne; Karl S. Hagen; Joann Sanders-Loehr","Raman Evidence for a Trapped-Valence FeII-O-FeIII Complex Formed from an Outer-Sphere Reaction of Diiron(II) with Dioxygen","Journal of the American Chemical Society","1997","119","","2960","2961","10.1021/ja9638871","","","1.54178","CuKα","","0.1304","0.0716","","0.2175","0.1729","","","","1.022","1.113","1.113","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116943","12.937","0.002","14.977","0.003","25.627","0.005","93.84","0.01","91.12","0.01","96.26","0.01","4922.9","1.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H119 B2 Fe2 N8 O7 -","- C112 H119 B2 Fe2 N8 O7 -","- C224 H238 B4 Fe4 N16 O14 -","2","1","","Jonathan D. Cohen; Sonha C. Payne; Karl S. Hagen; Joann Sanders-Loehr","Raman Evidence for a Trapped-Valence FeII-O-FeIII Complex Formed from an Outer-Sphere Reaction of Diiron(II) with Dioxygen","Journal of the American Chemical Society","1997","119","","2960","2961","10.1021/ja9638871","","","1.54178","CuKα","","0.0954","0.0657","","0.2025","0.1753","","","","1.015","1.074","1.074","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116944","16.223","0.004","12.601","0.003","24.378","0.008","90","","90.16","0.03","90","","4983","2","294.2","","294.2","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C36 H16 -","- C36 H16 -","- C288 H128 -","8","1","","Michael M. Haley; Michael L. Bell; Jamieson J. English; Charles A. Johnson; Timothy J. R. Weakley","Versatile Synthetic Route to and DSC Analysis of Dehydrobenzoannulenes: Crystal Structure of a Heretofore Inaccessible [20]Annulene Derivative","Journal of the American Chemical Society","1997","119","","2956","2957","10.1021/ja964048h","","","0.7107","MoKalpha","","","0.0605","","","0.0411","","","","","1.625","1.625","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116945","16.034","0.001","16.034","","50.64","0.01","90","","90","","120","","11275","2","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Cd58.34 Na49 Sn37.69 -","- Cd58.344 Na49 Sn37.692 -","- Cd175.032 Na147 Sn113.076 -","3","0.0833333","","Evgeny Todorov; Slavi C. Sevov","Synthesis, Characterization, Electronic Structure, and Bonding of Heteroatomic Deltahedral Clusters: Na49Cd58.5Sn37.5, A Network Structure Containing the First Empty Icosahedron without a Group 13 Element and the Largest closo-Deltahedron","Journal of the American Chemical Society","1997","119","","2869","2876","10.1021/ja964077s","","","0.71073","MoKα","","0.0423","0.0329","","0.0721","0.0682","","","","1.224","1.252","1.252","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116946","13.751","0.002","16.241","0.002","11.2","0.001","90","","113.81","0.01","90","","2288.4","0.5","149","2","149","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H11 F6 Sb -","- C9 H11 F6 Sb -","- C72 H88 F48 Sb8 -","8","1","","Thomas Laube; George A. Olah; Robert Bau","First X-ray Crystallographic Study of a Benzyl Cation, Cumyl Hexafluoroantimonate(V), and Structural Implications","Journal of the American Chemical Society","1997","119","","3087","3092","10.1021/ja9631514","","","0.71073","MoKα","","0.0977","0.0502","","0.1164","0.1054","","","","0.799","1","1","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116947","21.033","0.004","19.714","0.002","25.336","0.005","90","","90.01","0.02","90","","10505","3","293","2","293","2","","","","","","","synthetic route","5","I 1 2/a 1","-I 2ya","15","","dihydride [η2-1,2-bis(dimethylsilyl)benzene] bis(tricyclohexyl)phosphine ruthenium(II). benzene","","- C52 H92 P2 Ru Si2 -","- C52 H92 P2 Ru Si2 -","- C416 H736 P16 Ru8 Si16 -","8","1","","Fabien Delpech; Sylviane Sabo-Etienne; Bruno Chaudret; Jean-Claude Daran","Synthesis and Characterization of Chelating Bis(silane) Complexes [RuH2{(η2-HSiMe2)2X}(PCy3)2] (X = C6H4, O) Containing Two Ru-(η2-Si-H) Bonds","Journal of the American Chemical Society","1997","119","","3167","3168","10.1021/ja963933x","","","0.71073","MoKα","","","0.0446","","","0.0403","","","","","1.0706","1.0706","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116948","15.668","0.006","15.914","0.003","15.614","0.002","91.73","0.01","120.19","0.02","116.85","0.02","2830.3","1.7","288.2","","298","","","","","","","","","5","P 1","P 1","1","","","","- C33 H72 N18 O21 Zn3 -","- C33 H66 N18 O21 Zn3 -","- C66 H132 N36 O42 Zn6 -","2","2","","Eiichi Kimura; Shin Aoki; Tohru Koike; Motoo Shiro","A Tris(ZnII-1,4,7,10-tetraazacyclododecane) Complex as a New Receptor for Phosphate Dianions in Aqueous Solution","Journal of the American Chemical Society","1997","119","","3068","3076","10.1021/ja9640408","","","0.7107","MoKα","","","0.0514","","","0.0705","","","","","1.14","1.14","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116949","18.481","0.008","13.901","0.003","22.556","0.006","90","","111.8","0.03","90","","5380","3","288.2","","298","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C30 H68 Cl4 N13 O24 P Zn3 -","- C30 H64 Cl4 N13 O24 P Zn3 -","- C120 H256 Cl16 N52 O96 P4 Zn12 -","4","1","","Eiichi Kimura; Shin Aoki; Tohru Koike; Motoo Shiro","A Tris(ZnII-1,4,7,10-tetraazacyclododecane) Complex as a New Receptor for Phosphate Dianions in Aqueous Solution","Journal of the American Chemical Society","1997","119","","3068","3076","10.1021/ja9640408","","","0.7107","MoKα","","","0.0609","","","0.0955","","","","","1.612","1.612","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116950","11.381","0.002","13.116","0.003","25.846","0.005","90","","90","","90","","3858.1","1.3","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H34 Cl4 N2 Ni P2 S2 -","- C38 H34 Cl4 N2 Ni P2 S2 -","- C152 H136 Cl16 N8 Ni4 P8 S8 -","4","1","","Sharada P. Kaiwar; Anthony Vodacek; Neil V. Blough; Robert S. Pilato","Excited State Properties of Quinoxaline-Substituted Platinum 1,2-Enedithiolates","Journal of the American Chemical Society","1997","119","","3311","3316","10.1021/ja9626998","","","0.71073","MoKα","","0.1604","0.0983","","0.1857","0.1609","","","","1.105","1.232","1.232","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116951","28.596","0.005","9.0299","0.0014","26.184","0.003","90","","90","","90","","6761.2","1.8","153","2","153","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C36 H30 B F4 N2 P2 Pd S2 -","- C36 H30 B F4 N2 P2 Pd S2 -","- C288 H240 B8 F32 N16 P16 Pd8 S16 -","8","2","","Sharada P. Kaiwar; Anthony Vodacek; Neil V. Blough; Robert S. Pilato","Excited State Properties of Quinoxaline-Substituted Platinum 1,2-Enedithiolates","Journal of the American Chemical Society","1997","119","","3311","3316","10.1021/ja9626998","","","0.71073","MoKα","","0.1121","0.0755","","0.1861","0.1646","","","","1.078","1.118","1.118","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116952","16.864","0.006","18.652","0.007","16.034","0.006","104.587","0.01","117.934","0.008","101.758","0.01","3995","3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","EM, 4-MeC6H4OME","","","- C180 H210 O29 -","- C180 H192 O29 -","- C180 H192 O29 -","1","0.5","","Roger C. Helgeson; Carolyn B. Knobler; Donald J. Cram","Correlations of Structure with Binding Ability Involving Nine Hemicarcerand Hosts and Twenty-Four Guests1","Journal of the American Chemical Society","1997","119","","3229","3244","10.1021/ja963379r","","","1.5418","CuKα","","0.2416","0.1598","","0.5353","0.4402","","","","1.04","1.164","1.164","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116953","16.827","0.005","18.611","0.006","16.242","0.005","104.081","0.009","117.785","0.01","102.197","0.01","4040","2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","EE, 4-MeC6H4OMe","","","- C184 H218 O29 -","- C184 H188 O28 -","- C184 H188 O28 -","1","0.5","","Roger C. Helgeson; Carolyn B. Knobler; Donald J. Cram","Correlations of Structure with Binding Ability Involving Nine Hemicarcerand Hosts and Twenty-Four Guests1","Journal of the American Chemical Society","1997","119","","3229","3244","10.1021/ja963379r","","","1.54184","CuKα","","0.1972","0.129","","0.4298","0.352","","","","1.03","1.143","1.143","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116954","15.48","0.01","17.349","0.006","14.551","0.007","113.69","0.03","93.69","0.05","95.32","0.05","3541","3","175","2","175","2","","","","","","","","3","P -1","-P 1","2","PE, 4-MeC6H4OMe","","","- C164 H196 O26 -","- C165 H172 O25 -","- C165 H172 O25 -","1","0.5","","Roger C. Helgeson; Carolyn B. Knobler; Donald J. Cram","Correlations of Structure with Binding Ability Involving Nine Hemicarcerand Hosts and Twenty-Four Guests1","Journal of the American Chemical Society","1997","119","","3229","3244","10.1021/ja963379r","","","1.5418","CuKα","","0.2454","0.1763","","0.5102","0.436","","","","1.049","1.16","1.16","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116955","17.288","0.018","18.419","0.017","16.74","0.014","91.25","0.08","117.04","0.06","69.95","0.07","4402","8","175","2","175","2","","","","","","","","3","P -1","-P 1","2","PE, 2-(MeO)C6H4OMe","","","- C204 H246 O38 -","- C204 H210 O38 -","- C204 H210 O38 -","1","0.5","","Roger C. Helgeson; Carolyn B. Knobler; Donald J. Cram","Correlations of Structure with Binding Ability Involving Nine Hemicarcerand Hosts and Twenty-Four Guests1","Journal of the American Chemical Society","1997","119","","3229","3244","10.1021/ja963379r","","","1.5418","CuKα","","0.1884","0.1582","","0.4386","0.3969","","","","1.047","1.086","1.086","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116956","9.3619","0.0006","5.9057","0.0004","18.581","0.001","90","","95.566","0.002","90","","1022.47","0.11","156","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2-Dimethyl-4-(2-oxo-1H-6-pyridyl)-3-butynoic acid","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","","Paul L. Wash; Emily Maverick; John Chiefari; David A. Lightner","Acid-Amide Intermolecular Hydrogen Bonding","Journal of the American Chemical Society","1997","119","","3802","3806","10.1021/ja963416e","","","0.7107","MoKα","","0.0944","0.0429","","0.1281","0.0999","","","","1.041","1.053","1.053","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116957","15.899","0.003","12.702","0.002","20.169","0.004","90","","110.39","0.02","90","","3817.9","1.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H59 B Fe P4 -","- C36 H59 B Fe P4 -","- C144 H236 B4 Fe4 P16 -","4","1","","Dmitry G. Gusev; Rainer Hübener; Peter Burger; Olli Orama; Heinz Berke","Synthesis, Structural Diversity, Dynamics, and Acidity of the M(II) and M(IV) Complexes [MH3(PR3)4]+ (M = Fe, Ru, Os; R = Me, Et)","Journal of the American Chemical Society","1997","119","","3716","3731","10.1021/ja963692t","","","0.71073","MoKα","","6.15","4.87","","16.32","5.48","","","","","1.97","1.97","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116958","12.136","0.002","14.205","0.003","37.117","0.006","90","","98.93","0.01","90","","6321","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H75 B F24 Fe P4 -","- C56 H75 B F24 Fe P4 -","- C224 H300 B4 F96 Fe4 P16 -","4","1","","Dmitry G. Gusev; Rainer Hübener; Peter Burger; Olli Orama; Heinz Berke","Synthesis, Structural Diversity, Dynamics, and Acidity of the M(II) and M(IV) Complexes [MH3(PR3)4]+ (M = Fe, Ru, Os; R = Me, Et)","Journal of the American Chemical Society","1997","119","","3716","3731","10.1021/ja963692t","","","0.71073","MoKα","","0.165","0.0729","","0.1772","0.1275","","","","1.022","1.112","1.112","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116959","15.901","0.002","12.815","0.003","20.3","0.003","90","","110.62","0.01","90","","3871.6","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H59 B Os P4 -","- C36 H59 B Os P4 -","- C144 H236 B4 Os4 P16 -","4","1","","Dmitry G. Gusev; Rainer Hübener; Peter Burger; Olli Orama; Heinz Berke","Synthesis, Structural Diversity, Dynamics, and Acidity of the M(II) and M(IV) Complexes [MH3(PR3)4]+ (M = Fe, Ru, Os; R = Me, Et)","Journal of the American Chemical Society","1997","119","","3716","3731","10.1021/ja963692t","","","0.71073","MoKα","","0.068","0.0488","","0.1336","0.1179","","","","1.038","1.07","1.07","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116960","14.376","0.004","9.16","0.004","16.456","0.007","90","","102.04","0.03","90","","2119.3","1.4","158","2","158","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N2 O Ti -","- C22 H32 N2 O Ti -","- C88 H128 N8 O4 Ti4 -","4","1","","Robert Baumann; William M. Davis; Richard R. Schrock","Synthesis of Titanium and Zirconium Complexes That Contain the Tridentate Diamido Ligand, [((t-Bu-d6)N-o-C6H4)2O]2- ([NON]2-) and the Living Polymerization of 1-Hexene by Activated [NON]ZrMe2","Journal of the American Chemical Society","1997","119","","3830","3831","10.1021/ja963823q","","","0.71073","MoKα","","0.0886","0.0682","","0.1688","0.1482","","","","1.182","1.158","1.158","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116961","11.747","0.005","12.321","0.005","16.829","0.008","100.21","0.03","98.22","0.03","108.06","0.03","2227.5","1.8","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H32 B F15 N2 O Zr -","- C40 H32 B F15 N2 O Zr -","- C80 H64 B2 F30 N4 O2 Zr2 -","2","1","","Robert Baumann; William M. Davis; Richard R. Schrock","Synthesis of Titanium and Zirconium Complexes That Contain the Tridentate Diamido Ligand, [((t-Bu-d6)N-o-C6H4)2O]2- ([NON]2-) and the Living Polymerization of 1-Hexene by Activated [NON]ZrMe2","Journal of the American Chemical Society","1997","119","","3830","3831","10.1021/ja963823q","","","0.71073","MoKα","","0.1077","0.089","","0.2136","0.1857","","","","1.068","1.117","1.117","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116962","11.868","0.002","12.29","0.002","12.866","0.002","90","","103","0.2","90","","1828.5","1.6","293","2","293","2","","","","","","","Crystallization from ethyl acetate by slow evaporation","4","P 1 21/n 1","-P 2yn","14","5(4H)-oxazolone from Z-TOAC-OH","","","- C18 H23 N2 O4 -","- C18 H23 N2 O4 -","- C72 H92 N8 O16 -","4","1","","Marco Crisma; Giovanni Valle; Fernando Formaggio; Claudio Toniolo; Alessandro Bagno","Reactive Intermediates in Peptide Synthesis: First Crystal Structures and ab Initio Calculations of 2-Alkoxy-5(4H)-oxazolones from Urethane-Protected Amino Acids","Journal of the American Chemical Society","1997","119","","4136","4142","10.1021/ja9637863","","","0.7107","MoKα","","","0.056","","","0.062","","","","","0.689","0.689","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116963","8.266","0.001","18.629","0.002","14.216","0.002","90","","98.6","0.1","90","","2164.5","0.7","293","2","293","2","","","","","","","Crystallization from chloroform - petroleum ether","4","P 1 21/n 1","-P 2yn","14","5(4H)-oxazolone from Fmoc-TOAC-OH","","","- C25 H27 N2 O4 -","- C25 H27 N2 O4 -","- C100 H108 N8 O16 -","4","1","","Marco Crisma; Giovanni Valle; Fernando Formaggio; Claudio Toniolo; Alessandro Bagno","Reactive Intermediates in Peptide Synthesis: First Crystal Structures and ab Initio Calculations of 2-Alkoxy-5(4H)-oxazolones from Urethane-Protected Amino Acids","Journal of the American Chemical Society","1997","119","","4136","4142","10.1021/ja9637863","","","0.7107","MoKα","","","0.054","","","0.056","","","","","1.018","1.018","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116964","8.7905","0.0001","9.0849","0.0003","35.158","0.0009","90","","96.5","0.001","90","","2789.7","0.12","173","2","173","2","","","","","","","J. Kim / Prof. L. Que","6","P 1 21/c 1","-P 2ybc","14","95089","","","- C24 H27 Cl2 Fe N4 O10 -","- C24 H27 Cl2 Fe N4 O10 -","- C96 H108 Cl8 Fe4 N16 O40 -","4","1","","Yan Zang; Jinheung Kim; Yanhong Dong; Elizabeth C. Wilkinson; Evan H. Appelman; Lawrence Que","Models for Nonheme Iron Intermediates: Structural Basis for Tuning the Spin States of Fe(TPA) Complexes","Journal of the American Chemical Society","1997","119","","4197","4205","10.1021/ja9638521","","","0.71073","MoKα","","0.1254","0.0939","","0.2137","0.1957","","","","1.177","1.275","1.275","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116965","6.617","0.002","7.436","0.002","13.965","0.003","76.39","0.02","82.31","0.02","87.26","0.02","661.7","0.3","293","","293","","","","","","","","","7","P 1","P 1","1","","","","- C9 H15 Cl F12 N P2 Rh -","- C18 H30 Cl F12 N2 P2 Rh -","- C18 H30 Cl F12 N2 P2 Rh -","1","1","","Joseph P. Konopelski; Lubov K. Filonova; Marilyn M. Olmstead","Dipeptide Surrogates Containing Asparagine-Derived Tetrahydropyrimidinones: Preparation, Structure, and Use in Solid Phase Synthesis","Journal of the American Chemical Society","1997","119","","4305","4306","10.1021/ja9639271","","","0.71073","MoKα","","","0.044","","","0.0484","","","","","3.6013","3.6013","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116966","21.183","0.002","21.18","0.003","8.324","0.002","90","","90","","90","","3734.6","1.1","25","","293","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C17 H27 B F4 Rh -","- C16.8 H16 B F4 N0.9 Rh -","- C134.4 H128 B8 F32 N7.2 Rh8 -","8","1","","Joseph P. Konopelski; Lubov K. Filonova; Marilyn M. Olmstead","Dipeptide Surrogates Containing Asparagine-Derived Tetrahydropyrimidinones: Preparation, Structure, and Use in Solid Phase Synthesis","Journal of the American Chemical Society","1997","119","","4305","4306","10.1021/ja9639271","","","0.71073","MoKα","","","0.0473","","","0.0526","","","","","1.0947","1.0947","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116967","8.094","0.003","19.2","0.008","10.138","0.004","90","","107.88","0.04","90","","1499.4","1.1","150","0.2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(N,N-dimethylhydroxylamino)silane","","- C8 H24 N4 O4 Si -","- C8 H24 N4 O4 Si -","- C32 H96 N16 O16 Si4 -","4","1","","Norbert W. Mitzel; Alexander J. Blake; David W. H. Rankin","β-Donor Bonds in SiON Units: An Inherent Structure- Determining Property Leading to (4 + 4)-Coordination in Tetrakis-(N,N-dimethylhydroxylamido)silane","Journal of the American Chemical Society","1997","119","","4143","4148","10.1021/ja9640004","","","0.71073","MoKα","","0.0923","0.0457","","0.2731","0.0986","","","","1.055","1.045","1.045","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116968","8.0422","0.0005","8.0422","0.0005","24.653","0.002","90","","90","","90","","1594.48","0.19","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Tetraisopropoxysilane","","- C12 H28 O4 Si -","- C12 H28 O4 Si -","- C48 H112 O16 Si4 -","4","0.25","","Norbert W. Mitzel; Alexander J. Blake; David W. H. Rankin","β-Donor Bonds in SiON Units: An Inherent Structure- Determining Property Leading to (4 + 4)-Coordination in Tetrakis-(N,N-dimethylhydroxylamido)silane","Journal of the American Chemical Society","1997","119","","4143","4148","10.1021/ja9640004","","","1.54184","CuKα","","0.0336","0.0314","","0.0827","0.0782","","","","1.102","1.121","1.121","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116969","15.58","0.01","17.534","0.004","28.455","0.007","90","","99.74","0.03","90","","7661","6","20","","20","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H64 Cr2 N4 O4 P4 Pt2 -","- C288 Cr8 N16 O16 P16 Pt8 -","- C288 Cr8 N16 O16 P16 Pt8 -","","","","Kazushi Mashima; Mitsuhiro Tanaka; Kazuhide Tani; Akira Nakamura; Sadamu Takeda; Wasuke Mori; Kizashi Yamaguchi","Elongation of the Quadruple CrII-CrII Bond Induced by Two PtMe2 Moieties in the Linearly Aligned Tetrametal System, PtMe2...Cr-Cr...PtMe2","Journal of the American Chemical Society","1997","119","","4307","4308","10.1021/ja964052t","","","0.7107","MoKalpha","","","0.064","","","0.064","","","","","2.75","2.75","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116970","18.645","0.005","17.896","0.003","19.338","0.003","90","","104.12","0.02","90","","6258","2","23","","23","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C69 H54 Cl2 Cr2 N4 O4 P4 -","- C272 Cr8 N16 O16 P16 -","- C272 Cr8 N16 O16 P16 -","","","","Kazushi Mashima; Mitsuhiro Tanaka; Kazuhide Tani; Akira Nakamura; Sadamu Takeda; Wasuke Mori; Kizashi Yamaguchi","Elongation of the Quadruple CrII-CrII Bond Induced by Two PtMe2 Moieties in the Linearly Aligned Tetrametal System, PtMe2...Cr-Cr...PtMe2","Journal of the American Chemical Society","1997","119","","4307","4308","10.1021/ja964052t","","","0.7107","MoKalpha","","","0.072","","","0.069","","","","","2.01","2.01","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116971","23.804","0.006","13.814","0.004","24.314","0.003","90","","109.34","0.01","90","","7544","3","230","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C84 H84 O16 -","- C84 H80 O16 -","- C336 H320 O64 -","4","1","","Ken Endo; Takashi Koike; Tomoya Sawaki; Osamu Hayashida; Hideki Masuda; Yasuhiro Aoyama","Catalysis by Organic Solids. Stereoselective Diels-Alder Reactions Promoted by Microporous Molecular Crystals Having an Extensive Hydrogen-Bonded Network","Journal of the American Chemical Society","1997","119","","4117","4122","10.1021/ja964198s","","","0.71073","MoKα","","","0.062","","","0.07","","","","","1.606","1.606","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116972","16.377","0.002","29.029","0.002","8.932","0.002","90","","90","","90","","4246.3","1.1","297","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H31 I O3 Si -","- C19 H31 I O3 Si -","- C152 H248 I8 O24 Si8 -","8","2","","Chin-Kang Sha; Rei-Torng Chiu; Cheng-Fen Yang; Nai-Tung Yao; Wei-Hong Tseng; Fen-Ling Liao; Sue-Lein Wang","Total Synthesis of (-)-Dendrobine via α-Carbonyl Radical Cyclization","Journal of the American Chemical Society","1997","119","","4130","4135","10.1021/ja9643432","","","0.71073","MoKα","","","0.0448","","","0.0543","","","","","0.88","0.88","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116973","10.6518","0.0015","7.5072","0.0006","11.9581","0.0014","90","","110.698","0.008","90","","894.51","0.18","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br1.78 Cl0.22 Mo2 -","- C18 H22 Br1.78 Cl0.22 Mo2 -","- C36 H44 Br3.56 Cl0.44 Mo4 -","2","0.5","","Li-Sheng Wang; James C. Fettinger; Rinaldo Poli","Cyclopentadienylmolybdenum(II) and -(III) Complexes Containing Diene and Allyl Ligands. 1. Isomeric Preferences and Isomerization Rates in a Pair of Redox-Related Organometallic Complexes","Journal of the American Chemical Society","1997","119","","4453","4464","10.1021/ja964078k","","","0.71073","MoKα","","0.0379","0.0373","","0.0994","0.0988","","","","1.216","1.224","1.224","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116974","12.4437","0.0005","7.3498","0.0004","12.0043","0.0005","90","","111.927","0.003","90","","1018.48","0.08","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Mo -","- C12 H16 Mo -","- C48 H64 Mo4 -","4","1","","Li-Sheng Wang; James C. Fettinger; Rinaldo Poli","Cyclopentadienylmolybdenum(II) and -(III) Complexes Containing Diene and Allyl Ligands. 1. Isomeric Preferences and Isomerization Rates in a Pair of Redox-Related Organometallic Complexes","Journal of the American Chemical Society","1997","119","","4453","4464","10.1021/ja964078k","","","0.71073","MoKα","","0.0211","0.0163","","0.0438","0.041","","","","1.065","1.097","1.097","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116975","7.6228","0.0005","23.336","0.002","7.7887","0.0004","90","","90","","90","","1385.5","0.17","153","2","153","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H16 F6 Mo P -","- C12 H16 F6 Mo P -","- C48 H64 F24 Mo4 P4 -","4","0.25","","Li-Sheng Wang; James C. Fettinger; Rinaldo Poli","Cyclopentadienylmolybdenum(II) and -(III) Complexes Containing Diene and Allyl Ligands. 1. Isomeric Preferences and Isomerization Rates in a Pair of Redox-Related Organometallic Complexes","Journal of the American Chemical Society","1997","119","","4453","4464","10.1021/ja964078k","","","0.71073","MoKα","","0.0379","0.0375","","0.0967","0.0964","","","","1.125","1.13","1.13","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116976","11.9689","0.0006","11.6175","0.0011","7.4177","0.0006","90","","90","","90","","1031.42","0.14","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C12 H16 Mo -","- C12 H16 Mo -","- C48 H64 Mo4 -","4","0.5","","Li-Sheng Wang; James C. Fettinger; Rinaldo Poli","Cyclopentadienylmolybdenum(II) and -(III) Complexes Containing Diene and Allyl Ligands. 1. Isomeric Preferences and Isomerization Rates in a Pair of Redox-Related Organometallic Complexes","Journal of the American Chemical Society","1997","119","","4453","4464","10.1021/ja964078k","","","0.71073","MoKα","","0.0338","0.0308","","0.0865","0.0838","","","","1.143","1.158","1.158","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116977","11.4973","0.0015","23.932","0.003","24.811","0.003","90","","90","","90","","6826.8","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H35 F P2 Pd -","- C42 H35 F P2 Pd -","- C336 H280 F8 P16 Pd8 -","8","1","","Scott L. Fraser; Mikhail Yu. Antipin; Viktor N. Khroustalyov; Vladimir V. Grushin","Molecular Fluoro Palladium Complexes","Journal of the American Chemical Society","1997","119","","4769","4770","10.1021/ja963984u","","","0.71073","MoKα","","0.0807","0.047","","0.2067","0.1101","","","","1.054","1.069","1.069","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116978","6.8483","0.0005","14.531","0.002","22.56","0.002","106.602","0.006","93.405","0.005","101.127","0.005","2095.3","0.4","290","","290","","100","","100","","","","","4","P -1","-P 1","2","","3,7-Bis-trimethylsilanyl-1,4a,5,8a,9,9a-hexahydro-4H-cyclopenta[β] naphthalene-2,6-dione.","","- C19 H30 O2 Si2 -","- C19 H30 O2 Si2 -","- C76 H120 O8 Si8 -","4","2","","Anna Quattropani; Gary Anderson; Gérald Bernardinelli; E. Peter Kündig","Asymmetric Propargylation/Allylation/Pauson-Khand Cyclization of a Planar Chiral Anisole Tricarbonylchromium Complex","Journal of the American Chemical Society","1997","119","","4773","4774","10.1021/ja964256+","","","1.54183","x-ray","","0.09","0.076","","0.06","0.052","","","","5.912","5.404","5.404","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116979","21.137","0.004","22.327","0.005","9.149","0.002","90","","90","","90","","4317.6","1.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H35 P -","- C23 H35 P -","- C184 H280 P8 -","8","1","","György Keglevich; Zsolt Böcskei; György Miklós Keserü; Kálmán Újszászy; Louis D. Quin","1-(2,4,6-Tri-tert-butylphenyl)-3-methylphosphole: A Phosphole with a Significantly Flattened Phosphorus Pyramid Having Pronounced Characteristics of Aromaticity","Journal of the American Chemical Society","1997","119","","5095","5099","10.1021/ja970463d","","","1.54178","CuKα","","0.1961","0.0729","","0.2797","0.1854","","","","1.043","1.103","1.103","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116980","17.707","0.006","13.78","0.005","16.267","0.008","90","0","94.72","0.03","90","0","3956","3","298","","","","","","","","","","Local laboratory","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H46 Cl2 N6 Ni2 O14 -","- C33 H40 Cl2 N6 Ni2 O13 -","- C132 H160 Cl8 N24 Ni8 O52 -","4","1","","Kazuya Yamaguchi; Shouzou Koshino; Fumio Akagi; Masatatsu Suzuki; Akira Uehara; Shinnichiro Suzuki","Structures and Catalytic Activities of Carboxylate-Bridged Dinickel(II) Complexes as Models for the Metal Center of Urease","Journal of the American Chemical Society","1997","119","","5752","5753","10.1021/ja963982+","","","0.71073","MoK-alpha","","","0.0696","","","0.069","","","","","5.799","5.799","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116981","13.971","0.007","14.474","0.005","12.479","0.006","93.47","0.03","116.46","0.04","92.49","0.04","2248","1.9","298","","","","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C34 H48 Cl2 N8 Ni2 O14 -","- C35 H48 Cl2 N10 Ni2 O13 -","- C70 H96 Cl4 N20 Ni4 O26 -","2","1","","Kazuya Yamaguchi; Shouzou Koshino; Fumio Akagi; Masatatsu Suzuki; Akira Uehara; Shinnichiro Suzuki","Structures and Catalytic Activities of Carboxylate-Bridged Dinickel(II) Complexes as Models for the Metal Center of Urease","Journal of the American Chemical Society","1997","119","","5752","5753","10.1021/ja963982+","","","0.71073","MoK-alpha","","","0.0604","","","0.0641","","","","","4.6645","4.6645","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116982","18.184","0.002","13.234","0.001","29.102","0.004","90","","93.21","0.02","90","","6992.3","1.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","C7H14S4=3,7-dithianonane-1,9-dithiolat C15H23S=2,4,6-trisiopropylbenzenethiolat","","- C47 H80 Cl6 Fe4 Ni2 S14 -","- C47 H80 Cl6 Fe4 Ni2 S14 -","- C188 H320 Cl24 Fe16 Ni8 S56 -","4","1","","Frank Osterloh; Wolfgang Saak; Siegfried Pohl","Unidentate and Bidentate Binding of Nickel(II) Complexes to an Fe4S4 Cluster via Bridging Thiolates: Synthesis, Crystal Structures, and Electrochemical Properties of Model Compounds for the Active Sites of Nickel Containing CO Dehydrogenase/Acetyl-CoA Synthase","Journal of the American Chemical Society","1997","119","","5648","5656","10.1021/ja970194r","","","0.71073","MoKα","","0.1229","0.0971","","0.211","0.1914","","","","1.28","1.315","1.315","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116983","20.888","0.001","20.888","0.001","20.532","0.001","90","","90","","90","","8958.3","0.7","296","2","296","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","C11H24N2S2=N,N-diethyl-3,7-diazanonane-1,9-dithiolat","","- C26 H54 Fe4 I2 N6 Ni2 S8 -","- C26 H54 Fe4 I2 N6 Ni2 S8 -","- C208 H432 Fe32 I16 N48 Ni16 S64 -","8","0.5","","Frank Osterloh; Wolfgang Saak; Siegfried Pohl","Unidentate and Bidentate Binding of Nickel(II) Complexes to an Fe4S4 Cluster via Bridging Thiolates: Synthesis, Crystal Structures, and Electrochemical Properties of Model Compounds for the Active Sites of Nickel Containing CO Dehydrogenase/Acetyl-CoA Synthase","Journal of the American Chemical Society","1997","119","","5648","5656","10.1021/ja970194r","","","0.71073","MoKα","","0.049","0.0353","","0.0715","0.0655","","","","1.067","1.108","1.108","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116984","14.975","0.001","19.473","0.001","28.242","0.002","90","","90","","90","","8235.6","0.9","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","C11H24N2S2=N,N-diethyl-3,7-diazanonane-1,9-dithiolat C15H23S=2,4,6-trisiopropylbenzenethiolat","","- C56 H102 Fe4 N4 Ni2 O S10 -","- C56 H102 Fe4 N4 Ni2 O S10 -","- C224 H408 Fe16 N16 Ni8 O4 S40 -","4","1","","Frank Osterloh; Wolfgang Saak; Siegfried Pohl","Unidentate and Bidentate Binding of Nickel(II) Complexes to an Fe4S4 Cluster via Bridging Thiolates: Synthesis, Crystal Structures, and Electrochemical Properties of Model Compounds for the Active Sites of Nickel Containing CO Dehydrogenase/Acetyl-CoA Synthase","Journal of the American Chemical Society","1997","119","","5648","5656","10.1021/ja970194r","","","0.71073","MoKα","","0.1006","0.0761","","0.2485","0.1921","","","","1.262","1.255","1.255","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116985","7.767","0.001","10.957","0.001","7.682","0.002","93.8","0.01","117.61","0.01","103.05","0.01","553.18","0.18","299","","299","","","","","","","","Local laboratory","3","P -1","-P 1","2","","","","- C26 H16 N6 -","- C26 H16 N6 -","- C26 H16 N6 -","1","0.5","","Yoshikatsu Ito; Sotaro Endo; Shigeru Ohba","Novel Photocoupling Reaction in Two-Component Crystals of Tetracyanobenzene with Benzyl Cyanide","Journal of the American Chemical Society","1997","119","","5974","5975","10.1021/ja964451o","","","0.71073","MoKα","","","0.0533","","","0.0515","","","","","1.03","1.03","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116986","7.721","0.002","13.393","0.003","7.219","0.002","103.19","0.02","105.65","0.02","78.45","0.02","692.2","0.3","300","","299","","","","","","","","Local laboratory","3","P -1","-P 1","2","","","","- C18 H9 N5 -","- C18 H9 N5 -","- C36 H18 N10 -","2","1","","Yoshikatsu Ito; Sotaro Endo; Shigeru Ohba","Novel Photocoupling Reaction in Two-Component Crystals of Tetracyanobenzene with Benzyl Cyanide","Journal of the American Chemical Society","1997","119","","5974","5975","10.1021/ja964451o","","","0.71073","MoKα","","","0.0527","","","0.067","","","","","0.992","0.992","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116987","7.6495","0.0014","12.384","0.006","27.867","0.012","90","","90","","90","","2639.9","1.8","153","","153","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H14 N O4 S2 V -","- C11 H14 N O4 S2 V -","- C88 H112 N8 O32 S16 V8 -","8","1","","Charles R. Cornman; Thad C. Stauffer; Paul D. Boyle","Oxidation of a Vanadium(V)-Dithiolate Complex to a Vanadium(V)-η2,η2-Disulfenate Complex","Journal of the American Chemical Society","1997","119","","5986","5987","10.1021/ja971007s","","","0.71073","MolybdenumKα","","0.046","0.046","","0.047","0.047","","","","","1.15","1.15","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116988","6.798","0.002","7.137","0.002","14.73","0.004","90.85","0.03","100.93","0.02","115.05","0.03","632","0.4","148","","148","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H14 N O2 S2 V -","- C11 H14 N O2 S2 V -","- C22 H28 N2 O4 S4 V2 -","2","1","","Charles R. Cornman; Thad C. Stauffer; Paul D. Boyle","Oxidation of a Vanadium(V)-Dithiolate Complex to a Vanadium(V)-η2,η2-Disulfenate Complex","Journal of the American Chemical Society","1997","119","","5986","5987","10.1021/ja971007s","","","0.71073","MolybdenumKα","","0.035","0.035","","0.044","0.044","","","","","1.24","1.24","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116989","12.003","0.004","14.081","0.004","11.754","0.002","102.47","0.02","103.02","0.02","76.76","0.03","1855.6","0.9","298","","298","","","","","","","","methylene chloride/thf","6","P -1","-P 1","2","","","","- C68 H61 Cl8 N11 Ni O20 -","- C72 H30 Cl8 N12 Ni O18 -","- C72 H30 Cl8 N12 Ni O18 -","1","0.5","","Karine Ozette; Philippe Leduc; Magali Palacio; Jean-Francois Bartoli; Kathleen M. Barkigia; Jack Fajer; Pierrette Battioni; Daniel Mansuy","New Metalloporphyrins with Extremely Altered Redox Properties: Synthesis, Structure, and Facile Reduction to Air-Stable π-Anion Radicals of Zinc and Nickel β-Heptanitroporphyrins","Journal of the American Chemical Society","1997","119","","6442","6443","10.1021/ja970882a","","","0.71073","Mo-Kα","","0.2","0.096","","","0.099","","","","","2.525","2.525","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116990","13.275","0.002","14.672","0.003","12.172","0.002","95.81","0.02","91.09","0.01","94.36","0.01","2350.9","0.7","290.2","","290.2","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H71 B O2 P2 Ru -","- C62 H56 B O2 P2 Ru -","- C124 H112 B2 O4 P4 Ru2 -","2","1","","Isaac de los Ríos; Manuel Jiménez Tenorio; M. Carmen Puerta; Pedro Valerga","Alternative Mechanisms of the Alkyne to Vinylidene Isomerization Promoted by Half-Sandwich Ruthenium Complexes. X-ray Crystal Structures of [Cp*RuCCHCOOMe(dippe)][BPh4] and [Cp*RuH(C\τbCCOOMe)(dippe)][BPh4] (dippe = 1,2-bis(diisopropylphosphino)ethane; Cp* = C5Me5)","Journal of the American Chemical Society","1997","119","","6529","6538","10.1021/ja9701220","","","0.7107","MoKalpha","","","0.0579","","","0.0695","","","","","1.687","1.687","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116991","16.167","0.007","28.707","0.004","10.257","0.006","90","","90","","90","","4760","4","290.2","","290.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H71 B O2 P2 Ru -","- C52 H71 B O2 P2 Ru -","- C208 H284 B4 O8 P8 Ru4 -","4","1","","Isaac de los Ríos; Manuel Jiménez Tenorio; M. Carmen Puerta; Pedro Valerga","Alternative Mechanisms of the Alkyne to Vinylidene Isomerization Promoted by Half-Sandwich Ruthenium Complexes. X-ray Crystal Structures of [Cp*RuCCHCOOMe(dippe)][BPh4] and [Cp*RuH(C\τbCCOOMe)(dippe)][BPh4] (dippe = 1,2-bis(diisopropylphosphino)ethane; Cp* = C5Me5)","Journal of the American Chemical Society","1997","119","","6529","6538","10.1021/ja9701220","","","0.7107","MoKalpha","","","0.0642","","","0.0727","","","","","1.535","1.535","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116992","8.2788","0.0002","23.3285","0.0002","12.111","0.0002","90","","106.162","0.002","90","","2246.58","0.07","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 N4 -","- C24 H42 N4 -","- C96 H168 N16 -","4","1","","Stephen F. Nelsen; Michael T. Ramm; J. Jens Wolff; Douglas R. Powell","Intramolecular Electron Transfer between Doubly Four σ-Bond-Linked Tetraalkylhydrazine Cationic and Neutral Units","Journal of the American Chemical Society","1997","119","","6863","6872","10.1021/ja963415m","","","0.71073","MoKα","","0.0753","0.064","","0.1331","0.128","","","","1.202","1.245","1.245","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116993","11.2781","0.0002","12.2227","0.0002","22.9815","0.0002","79.02","0.002","76.686","0.002","76.421","0.002","2965.33","0.08","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C73 H81 B2 N5 -","- C73 H81 B2 N5 -","- C146 H162 B4 N10 -","2","1","","Stephen F. Nelsen; Dwight A. Trieber; J. Jens Wolff; Douglas R. Powell; Shervalen Rogers-Crowley","Intramolecular Electron Transfer between Doubly Six σ-Bond-Linked Trialkyldiazenium Cation and Diazenyl Radical Units","Journal of the American Chemical Society","1997","119","","6873","6882","10.1021/ja9634177","","","0.71073","MoKα","","0.1074","0.0648","","0.167","0.1457","","","","1.065","1.16","1.16","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116994","8.352","0.002","10.2231","0.001","14.2308","0.001","90","","97.974","0.008","90","","1203.3","0.3","113","2","113","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C15 H20 N4 -","- C15 H20 N4 -","- C60 H80 N16 -","4","0.5","","Stephen F. Nelsen; Dwight A. Trieber; J. Jens Wolff; Douglas R. Powell; Shervalen Rogers-Crowley","Intramolecular Electron Transfer between Doubly Six σ-Bond-Linked Trialkyldiazenium Cation and Diazenyl Radical Units","Journal of the American Chemical Society","1997","119","","6873","6882","10.1021/ja9634177","","","1.54178","CuKα","","0.0534","0.0471","","0.121","0.1182","","","","1.098","1.125","1.125","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116995","35.79","0.008","10.502","0.005","12.401","0.003","90","","95.66","0.02","90","","4638","3","293","2","293","2","","","","","","","syntesis","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 I2 -","- C24 H26 I2 -","- C192 H208 I16 -","8","2","","José Barluenga; Isidro Llorente; Lorenzo J. Alvarez-García; José M. González; Pedro J. Campos; M. Rosario Díaz; Santiago García-Granda","Reactions of (tert-Butyldimethylsilyl)alkynes with IPy2BF4: Selective Synthesis of Novel Head-to-Head Dimers","Journal of the American Chemical Society","1997","119","","6933","6934","10.1021/ja970108n","","","0.71073","MoKα","","0.1325","0.0569","","0.1634","0.1524","","","","0.894","1.222","1.222","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116996","4.121","0.001","38.907","0.007","11.03","0.002","90","","93.68","0.01","90","","1764.9","0.6","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 O3 S -","- C19 H25 O3 S -","- C76 H100 O12 S4 -","4","1","","Weijin Li; Vincent Lynch; Heike Thompson; Marye Anne Fox","Self-Assembled Monolayers of 7-(10-Thiodecoxy)coumarin on Gold: Synthesis, Characterization, and Photodimerization","Journal of the American Chemical Society","1997","119","","7211","7217","10.1021/ja970633m","","","0.71073","MoKα","","0.1394","0.0958","","0.2468","0.2178","","","","1.202","1.32","1.32","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116997","14.95","0.002","22.361","0.002","9.6966","0.0003","90","","104.854","0.005","90","","3133.2","0.5","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Fe N5 O -","- C36 H44 Fe N5 O -","- C144 H176 Fe4 N20 O4 -","4","1","","Mary K. Ellison; W. Robert Scheidt","Structural Distortion in Five-Coordinate Nitrosyl Iron Porphyrins. Axial Ligand Tilting and Its Effect on Equatorial Geometry","Journal of the American Chemical Society","1997","119","","7404","7405","10.1021/ja971140k","","","0.71073","MoKα","","0.0523","0.0421","","0.1561","0.1515","","","","1.283","1.332","1.332","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116998","10.4204","0.0001","10.5562","0.0007","14.0425","0.0007","79.83","0.005","89.585","0.004","80.264","0.004","1498.1","0.13","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 Fe N5 O -","- C36 H44 Fe N5 O -","- C72 H88 Fe2 N10 O2 -","2","1","","Mary K. Ellison; W. Robert Scheidt","Structural Distortion in Five-Coordinate Nitrosyl Iron Porphyrins. Axial Ligand Tilting and Its Effect on Equatorial Geometry","Journal of the American Chemical Society","1997","119","","7404","7405","10.1021/ja971140k","","","0.71073","MoKα","","0.0535","0.0412","","0.1128","0.1059","","","","1.024","1.057","1.057","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116999","16.948","0.027","18.224","0.025","20.316","0.017","79.39","0.08","72.11","0.1","66.73","0.11","5471","13","298","2","298","2","","","","","","","see text","5","P -1","-P 1","2","","1-Bromo-3,5-bis(1,3,4,5,6,7,8-heptaphenyl-2-naphthyl)benzene 3.5Nitrobenzene/1.0Toluene Solvate","","- C138 H98.5 Br N3.5 O7 -","- C138 H98.5 Br N3.5 O7 -","- C276 H197 Br2 N7 O14 -","2","1","","Ling Tong; Douglas M. Ho; Nancy J. Vogelaar; Clarence E. Schutt; Robert A. Pascal","The Albatrossenes: Large, Cleft-Containing, Polyphenyl Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","1997","119","","7291","7302","10.1021/ja971261k","","","1.54178","CuKα","","0.1253","0.1152","","0.3262","0.3084","","","","1.035","1.081","1.081","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117000","16.922","0.002","13.627","0.002","20.291","0.003","77.741","0.009","72.291","0.008","85.612","0.008","4355.3","1.1","230","2","230","2","","","","","","","see text","5","P -1","-P 1","2","","1-Bromo-3,5-bis(1,3,4,5,6,7,8-heptaphenyl-2-naphthyl)benzene Nitrobenzene Solvate","","- C116 H78 Br N O2 -","- C110 H73 Br -","- C220 H146 Br2 -","2","1","","Ling Tong; Douglas M. Ho; Nancy J. Vogelaar; Clarence E. Schutt; Robert A. Pascal","The Albatrossenes: Large, Cleft-Containing, Polyphenyl Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","1997","119","","7291","7302","10.1021/ja971261k","","","0.71073","MoKα","","0.2411","0.0788","","0.1886","0.1326","","","","0.684","1.093","1.093","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117001","12.433","0.012","25.507","0.019","27.736","0.047","114.89","0.07","100.08","0.09","90.61","0.08","7821","17","298","2","298","2","","","","","","","see text","2","P -1","-P 1","2","","1,3-bis(heptaphenyl-1-naphthyl)benzene","","- C110 H74 -","- C110 H74 -","- C440 H296 -","4","2","","Ling Tong; Douglas M. Ho; Nancy J. Vogelaar; Clarence E. Schutt; Robert A. Pascal","The Albatrossenes: Large, Cleft-Containing, Polyphenyl Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","1997","119","","7291","7302","10.1021/ja971261k","","","1.54178","CuKα","","0.0704","0.0647","","0.1935","0.1831","","","","1.047","1.078","1.078","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117002","17.493","0.002","17.493","0.002","26.676","0.004","90","","90","","120","","7069.4","1.6","298","2","298","2","","","","","","","see text","5","P 32 2 1","P 32 2""","154","","1,3-Bis[4-(4-bromophenyl)-2,3,5,6,7,8-hexaphenyl-1-naphthyl]benzene . 2Dichloromethane . 4Methanol Solvate","","- C116 H92 Br2 Cl4 O4 -","- C110 H72 Br2 -","- C330 H216 Br6 -","3","0.5","","Ling Tong; Douglas M. Ho; Nancy J. Vogelaar; Clarence E. Schutt; Robert A. Pascal","The Albatrossenes: Large, Cleft-Containing, Polyphenyl Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","1997","119","","7291","7302","10.1021/ja971261k","","","0.71073","MoKα","","0.1764","0.0554","","0.1155","0.092","","","","0.609","1.011","1.011","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117003","24.802","0.031","27.15","0.024","33.258","0.042","90","","98.77","0.11","90","","22133","4","298","2","298","2","","","","","","","chemical synthesis","3","P 1 21/c 1","-P 2ybc","14","","1,3,5-Tris(pentaphenylphenyl)benzene","","- C116.5 H80.5 Cl7.5 -","- C114 H78 -","- C912 H624 -","8","2","","Ling Tong; Douglas M. Ho; Nancy J. Vogelaar; Clarence E. Schutt; Robert A. Pascal","The Albatrossenes: Large, Cleft-Containing, Polyphenyl Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","1997","119","","7291","7302","10.1021/ja971261k","","","1.54178","CuKα","","0.1269","0.1157","","0.3191","0.2978","","","","1.003","1.096","1.096","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117004","7.791","0.002","7.2907","0.001","12.399","0.0016","90","","96.33","0.02","90","","700","0.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-dihydro-1-hydroxy-2,3,1-benzodiazaborine","","- C7 H7 B N2 O -","- C7 H7 B N2 O -","- C28 H28 B4 N8 O4 -","4","1","","Michael P. Groziak; Liya Chen; Lin Yi; Paul D. Robinson","Planar Boron Heterocycles with Nucleic Acid-Like Hydrogen-Bonding Motifs","Journal of the American Chemical Society","1997","119","","7817","7826","10.1021/ja963784i","","","0.71069","MoKα","","","0.041","","","0.029","","","","","2.29","2.29","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117005","11.2028","0.0015","30.39","0.008","8.1221","0.0017","90","","90","","90","","2765.2","1","296","","296","","","","","","","","","5","F d d 2","F 2 -2d","43","","1-hydroxy-1H-2,3,1-benzoxazaborine","","- C7 H6 B N O2 -","- C7 H6 B N O2 -","- C112 H96 B16 N16 O32 -","16","1","","Michael P. Groziak; Liya Chen; Lin Yi; Paul D. Robinson","Planar Boron Heterocycles with Nucleic Acid-Like Hydrogen-Bonding Motifs","Journal of the American Chemical Society","1997","119","","7817","7826","10.1021/ja963784i","","","0.71069","MoKα","","","0.04","","","0.031","","","","","2.4","2.4","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117006","14.153","0.005","9.585","0.008","30.45","0.02","90","","96.18","0.04","90","","4107","5","273.2","","273.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H25 Cl F4 P Rh -","- C19 Cl F4 P Rh -","- C152 Cl8 F32 P8 Rh8 -","8","1","","Brian L. Edelbach; William D. Jones","Mechanism of Carbon-Fluorine Bond Activation by (C5Me5)Rh(PMe3)H2","Journal of the American Chemical Society","1997","119","","7734","7742","10.1021/ja970723r","","","0.7107","MoKalpha","","","0.0367","","","0.038","","","","","1.695","1.695","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117007","9.139","0.007","8.082","0.002","35.9","0.03","90","","93.95","0.06","90","","2645","3","233.2","","233.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl F9 P Rh -","- C25 Cl F9 P Rh -","- C100 Cl4 F36 P4 Rh4 -","4","1","","Brian L. Edelbach; William D. Jones","Mechanism of Carbon-Fluorine Bond Activation by (C5Me5)Rh(PMe3)H2","Journal of the American Chemical Society","1997","119","","7734","7742","10.1021/ja970723r","","","0.7107","MoKalpha","","","0.0491","","","0.0546","","","","","1.533","1.533","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117008","9.7329","0.001","8.3407","0.0009","31.741","0.003","90","","98.026","0.007","90","","2551.5","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Cl F7 O P Rh -","- C23 H26 Cl F7 O P Rh -","- C92 H104 Cl4 F28 O4 P4 Rh4 -","4","1","","Brian L. Edelbach; William D. Jones","Mechanism of Carbon-Fluorine Bond Activation by (C5Me5)Rh(PMe3)H2","Journal of the American Chemical Society","1997","119","","7734","7742","10.1021/ja970723r","","","0.71073","MoKα","","0.0813","0.0725","","0.1964","0.1901","","","","1.232","1.286","1.286","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117009","8.437","0.001","9.615","0.002","10.268","0.001","87.26","0.03","70.53","0.005","80.77","0.01","775.1","0.2","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H48 N12 Nb2 -","- C28 H48 N12 Nb2 -","- C28 H48 N12 Nb2 -","1","0.5","","F. Albert Cotton; John H. Matonic; Carlos A. Murillo","A New Type of Divalent Niobium Compound: The First Nb-Nb Triple Bond in a Tetragonal Lantern Environment","Journal of the American Chemical Society","1997","119","","7889","7890","10.1021/ja9715152","","","0.71073","MoKα","","0.0442","0.0392","","0.0927","0.0887","","","","1.081","1.081","1.081","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117010","6.328","0.003","16.743","0.008","21.03","0.02","90","","90","","90","","2228","3","213","2","213","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 O5 -","- C22 H38 O5 -","- C88 H152 O20 -","4","1","","Laura R. Cook; Hitoshi Oinuma; Marcus A. Semones; Yoshito Kishi","The Stereochemical Assignment and Conformational Analysis of the V/W-Ring Juncture of Maitotoxin","Journal of the American Chemical Society","1997","119","","7928","7937","10.1021/ja971259t","","","0.71073","MoKα","","0.1371","0.076","","0.1824","0.1409","","","","1.214","1.238","1.238","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117011","6.412","0.001","10.744","0.003","31.257","0.009","90","","90","","90","","2153.3","0.9","213","2","213","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 O5 -","- C22 H38 O5 -","- C88 H152 O20 -","4","1","","Laura R. Cook; Hitoshi Oinuma; Marcus A. Semones; Yoshito Kishi","The Stereochemical Assignment and Conformational Analysis of the V/W-Ring Juncture of Maitotoxin","Journal of the American Chemical Society","1997","119","","7928","7937","10.1021/ja971259t","","","0.71073","MoKα","","0.0523","0.0436","","0.1189","0.1059","","","","1.075","1.036","1.036","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117012","13.6105","0.0013","6.085","0.0006","20.975","0.002","90","","96.585","0.001","90","","1725.7","0.3","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H36 N4 O16 -","- C33 H36 N4 O16 -","- C66 H72 N8 O32 -","2","1","","Laura R. Cook; Hitoshi Oinuma; Marcus A. Semones; Yoshito Kishi","The Stereochemical Assignment and Conformational Analysis of the V/W-Ring Juncture of Maitotoxin","Journal of the American Chemical Society","1997","119","","7928","7937","10.1021/ja971259t","","","0.71073","MoKα","","0.1305","0.0896","","0.1661","0.1418","","","","1.622","1.673","1.673","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117013","5.7155","0.0005","11.0402","0.0011","28.497","0.003","90","","90","","90","","1798.2","0.3","213","2","213","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Laura R. Cook; Hitoshi Oinuma; Marcus A. Semones; Yoshito Kishi","The Stereochemical Assignment and Conformational Analysis of the V/W-Ring Juncture of Maitotoxin","Journal of the American Chemical Society","1997","119","","7928","7937","10.1021/ja971259t","","","0.71073","MoKα","","0.0977","0.0616","","0.1515","0.1234","","","","1.157","1.138","1.138","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117014","22.09","0.002","23.421","0.004","12.467","0.002","90","","90","","90","","6450.1","1.6","293","2","293","2","","","","","","","","3","F m m 2","F 2 -2","42","","Cs6Ge8Zn","","- Cs6 Ge8 Zn -","- Cs6 Ge8 Zn -","- Cs72 Ge96 Zn12 -","12","0.75","","Virginie Queneau; Slavi C. Sevov","Cs6Ge8Zn: A Zintl Phase with Isolated Heteroatomic Clusters of Ge8Zn","Journal of the American Chemical Society","1997","119","","8109","8110","10.1021/ja9717121","","","0.71073","MoKα","","0.1524","0.0795","","0.1995","0.144","","","","1.143","1.08","1.08","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117015","5.103","0.002","10.991","0.004","19.103","0.006","90","","90.77","","90","","1071.3","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 O3 -","- C11 H20 O3 -","- C44 H80 O12 -","4","1","","Jennifer L. Liras; Vincent M. Lynch; Eric V. Anslyn","The Ratio between Endocyclic and Exocyclic Cleavage of Pyranoside Acetals Is Dependent upon the Anomer, the Temperature, the Aglycon Group, and the Solvent","Journal of the American Chemical Society","1997","119","","8191","8200","10.1021/ja963807t","","","0.71073","MoKα","","0.1009","0.0476","","0.1095","0.0892","","","","1.006","1.106","1.106","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117016","7.245","0.002","14.727","0.003","14.835","0.004","90.18","0.02","92.9","0.02","90.02","0.02","1580.8","0.7","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H70 N4 O18 -","- C64 H70 N4 O18 -","- C64 H70 N4 O18 -","1","0.5","","P. Bhyrappa; Scott R. Wilson; Kenneth S. Suslick","Hydrogen-Bonded Porphyrinic Solids: Supramolecular Networks of Octahydroxy Porphyrins","Journal of the American Chemical Society","1997","119","","8492","8502","10.1021/ja971093w","","","0.71073","MoKα","","0.1971","0.1138","","0.3561","0.28","","","","1.06","1.102","1.102","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117017","11.105","0.004","25.744","0.007","14.022","0.003","90","","108.09","0.02","90","","3811","2","198","2","198","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C93 H65 N11 O8 -","- C93 H65 N11 O8 -","- C186 H130 N22 O16 -","2","0.5","","P. Bhyrappa; Scott R. Wilson; Kenneth S. Suslick","Hydrogen-Bonded Porphyrinic Solids: Supramolecular Networks of Octahydroxy Porphyrins","Journal of the American Chemical Society","1997","119","","8492","8502","10.1021/ja971093w","","","0.71073","MoKα","","0.1841","0.0622","","0.1755","0.1305","","","","1.06","1.164","1.164","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117018","13.736","0.003","14.032","0.003","17.029","0.003","93.77","0.03","110.92","0.03","111.81","0.03","2770.9","1.5","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H62 N4 O16 -","- C60 H62 N4 O16 -","- C120 H124 N8 O32 -","2","1","","P. Bhyrappa; Scott R. Wilson; Kenneth S. Suslick","Hydrogen-Bonded Porphyrinic Solids: Supramolecular Networks of Octahydroxy Porphyrins","Journal of the American Chemical Society","1997","119","","8492","8502","10.1021/ja971093w","","","0.71073","MoKα","","0.0878","0.0457","","0.1518","0.1129","","","","1.046","1.067","1.067","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117019","10.599","0.003","11.301","0.004","12.535","0.006","85.7","0.04","70.19","0.04","79.15","0.03","1387.2","1","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H60 N4 O16 Zn -","- C60 H60 N4 O16 Zn -","- C60 H60 N4 O16 Zn -","1","0.5","","P. Bhyrappa; Scott R. Wilson; Kenneth S. Suslick","Hydrogen-Bonded Porphyrinic Solids: Supramolecular Networks of Octahydroxy Porphyrins","Journal of the American Chemical Society","1997","119","","8492","8502","10.1021/ja971093w","","","0.71073","MoKα","","0.1498","0.0977","","0.2977","0.2515","","","","1.06","1.105","1.105","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117020","10.212","0.003","12.365","0.003","14.628","0.003","99.71","0.02","108.52","0.02","107.49","0.02","1597.6","0.8","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H66 Cl6 N4 O12 Zn -","- C62.992 H65.984 Cl6 N4 O11.998 Zn -","- C62.992 H65.984 Cl6 N4 O11.998 Zn -","1","0.5","","P. Bhyrappa; Scott R. Wilson; Kenneth S. Suslick","Hydrogen-Bonded Porphyrinic Solids: Supramolecular Networks of Octahydroxy Porphyrins","Journal of the American Chemical Society","1997","119","","8492","8502","10.1021/ja971093w","","","0.71073","MoKα","","0.1022","0.068","","0.2187","0.1883","","","","1.071","1.089","1.089","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117021","13.937","0.004","16.443","0.005","19.541","0.006","90","","106.71","0.02","90","","4289","2","198","2","198","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C95 H100 Cl Mn N4 O12 -","- C95 H100 Cl Mn N4 O12 -","- C190 H200 Cl2 Mn2 N8 O24 -","2","0.5","","P. Bhyrappa; Scott R. Wilson; Kenneth S. Suslick","Hydrogen-Bonded Porphyrinic Solids: Supramolecular Networks of Octahydroxy Porphyrins","Journal of the American Chemical Society","1997","119","","8492","8502","10.1021/ja971093w","","","0.71073","MoKα","","0.2283","0.0792","","0.2707","0.1738","","","","1.061","1.196","1.196","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117022","10.6237","0.0002","12.0664","0.0002","18.5999","0.0002","90.5938","0.0008","103.137","0.0008","94.1739","0.0004","2314.87","0.06","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H45 N O -","- C26 H45 N O -","- C104 H180 N4 O4 -","4","2","","D. Tyler McQuade; Sonya L. McKay; Douglas R. Powell; Samuel H. Gellman","Indifference to Hydrogen Bonding in a Family of Secondary Amides","Journal of the American Chemical Society","1997","119","","8528","8532","10.1021/ja9711019","","","0.71073","MoKα","","0.1319","0.0964","","0.1647","0.154","","","","1.299","1.406","1.406","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117023","14.173","0.0004","7.291","0.0002","30.045","0.0005","90","","90","","90","","3104.71","0.13","133","2","133","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H19 N O -","- C21 H19 N O -","- C168 H152 N8 O8 -","8","1","","D. Tyler McQuade; Sonya L. McKay; Douglas R. Powell; Samuel H. Gellman","Indifference to Hydrogen Bonding in a Family of Secondary Amides","Journal of the American Chemical Society","1997","119","","8528","8532","10.1021/ja9711019","","","0.71073","MoKα","","0.0961","0.0659","","0.1333","0.1158","","","","1.265","1.288","1.288","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117024","8.9722","0.0002","9.8641","0.0002","24.0202","0.0005","90","","90","","90","","2125.85","0.08","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O -","- C28 H25 N O -","- C112 H100 N4 O4 -","4","1","","D. Tyler McQuade; Sonya L. McKay; Douglas R. Powell; Samuel H. Gellman","Indifference to Hydrogen Bonding in a Family of Secondary Amides","Journal of the American Chemical Society","1997","119","","8528","8532","10.1021/ja9711019","","","0.71073","MoKα","","0.0365","0.0314","","0.0797","0.0741","","","","1.082","1.048","1.048","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117025","10.5912","0.0009","12.958","0.002","10.617","0.001","90","","92.696","0.009","90","","1455.5","0.3","294.2","","294.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Fe3 N16 -","- C24 H26 Fe2.5 N16 -","- C48 H52 Fe5 N32 -","2","0.5","","Steven J. Rettig; Alan Storr; David A. Summers; Robert C. Thompson; James Trotter","Transition Metal Azolates from Metallocenes. 2. Synthesis, X-ray Structure, and Magnetic Properties of a Three-Dimensional Polymetallic Iron(II) Imidazolate Complex, a Low-Temperature Weak Ferromagnet","Journal of the American Chemical Society","1997","119","","8675","8680","10.1021/ja971558i","","","0.7107","MoKα","","0.125","0.033","","0.037","0.031","","","","","1.53","1.53","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117026","6.43","0.001","16.119","0.002","9.118","0.001","90","","93.53","0.01","90","","943.2","0.2","294","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O -","- C11 H13 N O -","- C44 H52 N4 O4 -","4","1","","Ganesh Pandey; Saumen Hajra; Manas K. Ghorai; K. Ravi Kumar","Designing Photosystems for Harvesting Photons into Electrons by Sequential Electron-Transfer Processes: Reversing the Reactivity Profiles of α,β-Unsaturated Ketones as Carbon Radical Precursor by One Electron Reductive β-Activation","Journal of the American Chemical Society","1997","119","","8777","8787","10.1021/ja9641564","","","0.71073","MoKα","","","0.054","","","0.062","","","","","1.3","1.3","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117027","20.636","0.002","20.636","0.002","20.636","0.002","90","","90","","90","","8787.7","1.5","173","2","173","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C42 H64 B F4 N3 O7 Zn -","- C42 H63.99 B F4 N3 O7 Zn -","- C336 H511.92 B8 F32 N24 O56 Zn8 -","8","0.333333","","Achim Sokolowski; Jochen Müller; Thomas Weyhermüller; Robert Schnepf; Peter Hildebrandt; Knut Hildenbrand; Eberhard Bothe; Karl Wieghardt","Phenoxyl Radical Complexes of Zinc(II)","Journal of the American Chemical Society","1997","119","","8889","8900","10.1021/ja970417d","","","0.71073","MoKα","","0.0385","0.0352","","0.1065","0.0974","","","","1.055","1.054","1.054","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117028","12.118","0.002","19.723","0.003","19.266","0.003","90","","104.23","0.02","90","","4463.4","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47.5 H69 N3 O3 Zn -","- C47.5 H69 N3 O3 Zn -","- C190 H276 N12 O12 Zn4 -","4","1","","Achim Sokolowski; Jochen Müller; Thomas Weyhermüller; Robert Schnepf; Peter Hildebrandt; Knut Hildenbrand; Eberhard Bothe; Karl Wieghardt","Phenoxyl Radical Complexes of Zinc(II)","Journal of the American Chemical Society","1997","119","","8889","8900","10.1021/ja970417d","","","0.71073","MoKα","","0.0577","0.0479","","0.1336","0.1206","","","","1.025","1.041","1.041","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117029","15.389","0.003","11.236","0.002","18.449","0.003","90","","100.7","0.03","90","","3134.6","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H45 N3 O4 Zn -","- C35 H45 N3 O4 Zn -","- C140 H180 N12 O16 Zn4 -","4","1","","Achim Sokolowski; Jochen Müller; Thomas Weyhermüller; Robert Schnepf; Peter Hildebrandt; Knut Hildenbrand; Eberhard Bothe; Karl Wieghardt","Phenoxyl Radical Complexes of Zinc(II)","Journal of the American Chemical Society","1997","119","","8889","8900","10.1021/ja970417d","","","0.71073","MoKα","","0.1047","0.049","","0.1013","0.0826","","","","0.989","1.05","1.05","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117030","28.055","0.002","11.721","0.001","9.883","0.001","90","","98.84","0.01","90","","3211.2","0.5","178","2","178","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C144 H176 O32 -","8","1","","Michael P. Doyle; Chad S. Peterson; Marina N. Protopopova; Alan B. Marnett; Dann L. Parker; Doina G. Ene; Vincent Lynch","Macrocycle Formation by Catalytic Intramolecular Cyclopropanation. A New General Methodology for the Synthesis of Macrolides","Journal of the American Chemical Society","1997","119","","8826","8837","10.1021/ja971687z","","","0.71073","MoKα","","0.0635","0.043","","0.1094","0.0985","","","","1.022","1.077","1.077","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117031","6.914","0.001","11.787","0.003","5.614","0.001","90","","100.4","0.01","90","","450","0.15","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ammonium dinitramide","","- H4 N4 O4 -","- H4 N4 O4 -","- H16 N16 O16 -","4","1","","Richard Gilardi; J. Flippen-Anderson; Clifford George; Ray J. Butcher","A New Class of Flexible Energetic Salts: The Crystal Structures of the Ammonium, Lithium, Potassium, and Cesium Salts of Dinitramide","Journal of the American Chemical Society","1997","119","","9411","9416","10.1021/ja9709280","","","0.71073","MoKα","","0.0426","0.0307","","0.0888","0.0714","","","","1.028","1.084","1.084","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117032","5.9164","0.0004","5.9164","0.0004","19.712","0.003","90","","90","","90","","689.99","0.12","223","2","223","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","Lithium dinitramide","","- Li N3 O4 -","- Li N3 O4 -","- Li8 N24 O32 -","8","0.5","","Richard Gilardi; J. Flippen-Anderson; Clifford George; Ray J. Butcher","A New Class of Flexible Energetic Salts: The Crystal Structures of the Ammonium, Lithium, Potassium, and Cesium Salts of Dinitramide","Journal of the American Chemical Society","1997","119","","9411","9416","10.1021/ja9709280","","","1.54178","CuKα","","0.0464","0.0409","","0.1112","0.1068","","","","1.155","1.193","1.193","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117033","6.614","0.001","9.28","0.002","7.198","0.001","90","","97.58","0.01","90","","437.94","0.13","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Potassium dinitramide","","- K N3 O4 -","- K N3 O4 -","- K4 N12 O16 -","4","1","","Richard Gilardi; J. Flippen-Anderson; Clifford George; Ray J. Butcher","A New Class of Flexible Energetic Salts: The Crystal Structures of the Ammonium, Lithium, Potassium, and Cesium Salts of Dinitramide","Journal of the American Chemical Society","1997","119","","9411","9416","10.1021/ja9709280","","","1.54178","CuKα","","0.0297","0.0281","","0.0966","0.0798","","","","1.089","1.101","1.101","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117034","7.74","0.002","9.059","0.002","14.818","0.004","90","","90","","90","","1039","0.5","233","2","233","2","","","","","","","","3","P c 21 b","P -2bc -2c","29","","","","- Cs N3 O4 -","- Cs N3 O4 -","- Cs8 N24 O32 -","8","2","","Richard Gilardi; J. Flippen-Anderson; Clifford George; Ray J. Butcher","A New Class of Flexible Energetic Salts: The Crystal Structures of the Ammonium, Lithium, Potassium, and Cesium Salts of Dinitramide","Journal of the American Chemical Society","1997","119","","9411","9416","10.1021/ja9709280","","","0.71073","MoKα","","0.0197","0.0169","","0.0492","0.0416","","","","1.086","1.097","1.097","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117035","6.637","0.003","23.275","0.014","7.86","0.005","90","","113.21","0.05","90","","1115.9","1.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,3,5,7-Pentanitrocubane","","- C8 H3 N5 O10 -","- C8 H3 N5 O10 -","- C32 H12 N20 O40 -","4","1","","Kirill A. Lukin; Jianchang Li; Philip E. Eaton; Nobuhiro Kanomata; Jürgen Hain; Eric Punzalan; Richard Gilardi","Synthesis and Chemistry of 1,3,5,7-Tetranitrocubane Including Measurement of Its Acidity, Formation of o-Nitro Anions, and the First Preparations of Pentanitrocubane and Hexanitrocubane 1","Journal of the American Chemical Society","1997","119","","9591","9602","10.1021/ja970552q","","","1.54178","CuKα","","0.1136","0.0668","","0.2497","0.1647","","","","1.109","1.1","1.1","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117036","13.0102","0.0007","7.7242","0.0006","18.0758","0.0012","90","","95.404","0.007","90","","1808.4","0.2","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2,3,4,5,7-Hexanitrocubane acetonitrile solvate (two solvent molecules per cubane molecule)","","- C12 H8 N8 O12 -","- C12 H8 N8 O12 -","- C48 H32 N32 O48 -","4","0.5","","Kirill A. Lukin; Jianchang Li; Philip E. Eaton; Nobuhiro Kanomata; Jürgen Hain; Eric Punzalan; Richard Gilardi","Synthesis and Chemistry of 1,3,5,7-Tetranitrocubane Including Measurement of Its Acidity, Formation of o-Nitro Anions, and the First Preparations of Pentanitrocubane and Hexanitrocubane 1","Journal of the American Chemical Society","1997","119","","9591","9602","10.1021/ja970552q","","","1.54178","CuKα","","0.0407","0.0393","","0.1062","0.1057","","","","1.159","1.166","1.166","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117037","12.996","0.002","14.1381","0.0008","11.3306","0.0013","90","","90","","90","","2081.9","0.4","213","2","213","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Cr3 N12 -","- C40.5 H31 Cl3.5 Cr3 N12 -","- C81 H62 Cl7 Cr6 N24 -","2","0.5","","Cotton, F. Albert; Daniels, Lee M.; Murillo, Carlos A.; Pascual, Isabel","Compounds with Linear, Bonded Trichromium Chains","Journal of the American Chemical Society","1997","119","42","10223","10224","10.1021/ja971998+","","","0.71073","MoKα","","0.0644","0.0557","","0.151","0.1438","","","","1.401","1.417","1.417","","","","","has coordinates,has disorder","270159","2021-10-29","11:47:50",""
"4117038","19.114","0.002","16.746","0.001","15.6554","0.001","90","","110.92","0.01","90","","4680.7","0.7","213","2","213","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H34 B Cl3 Cr3 F4 N12 -","- C42 H36 B Cl5 Cr3 F4 N12 -","- C168 H144 B4 Cl20 Cr12 F16 N48 -","4","0.5","","Cotton, F. Albert; Daniels, Lee M.; Murillo, Carlos A.; Pascual, Isabel","Compounds with Linear, Bonded Trichromium Chains","Journal of the American Chemical Society","1997","119","42","10223","10224","10.1021/ja971998+","","","0.71073","MoKα","","0.0378","0.0353","","0.0907","0.0881","","","","1.053","1.065","1.065","","","","","has coordinates,has disorder","270159","2021-10-29","11:47:50",""
"4117039","23.8784","0.0014","29.488","0.001","14.244","0.008","90","","90","","90","","10030","6","213","2","213","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C48 H50 B2 Cl4 Cr3 F9 N12 -","- C39.1111 H28.4444 B1.77778 Cl2.22222 Cr2.66667 F8 N10.6667 -","- C352 H256 B16 Cl20 Cr24 F72 N96 -","9","2.25","","Cotton, F. Albert; Daniels, Lee M.; Murillo, Carlos A.; Pascual, Isabel","Compounds with Linear, Bonded Trichromium Chains","Journal of the American Chemical Society","1997","119","42","10223","10224","10.1021/ja971998+","","","0.71073","MoKα","","0.103","0.0792","","0.2349","0.2028","","","","1.101","1.074","1.074","","","","","has coordinates","270159","2021-10-29","11:47:50",""
"4117040","15.5579","0.0006","11.2565","0.0004","19.1583","0.0007","90","","111.84","0.002","90","","3114.3","0.2","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C78 H90 B2 N4 -","- C78 H90 B2 N4 -","- C156 H180 B4 N8 -","2","0.5","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge-Localized p-Phenylenedihydrazine Radical Cations: ESR and Optical Studies of Intramolecular Electron Transfer Rates","Journal of the American Chemical Society","1997","119","","10213","10222","10.1021/ja9720321","","","0.71073","MoKα","","0.0693","0.0569","","0.1263","0.1193","","","","1.25","1.287","1.287","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117041","7.6781","0.0004","13.128","0.0008","21.1967","0.0012","90","","92.418","0.002","90","","2134.7","0.2","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 B N2 -","- C24 H28 B N2 -","- C96 H112 B4 N8 -","4","1","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge-Localized p-Phenylenedihydrazine Radical Cations: ESR and Optical Studies of Intramolecular Electron Transfer Rates","Journal of the American Chemical Society","1997","119","","10213","10222","10.1021/ja9720321","","","0.71073","MoKα","","0.074","0.0518","","0.1206","0.1032","","","","1.154","1.127","1.127","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117042","9.5607","0.0002","13.7553","0.0002","25.5637","0.0002","90","","96.846","0.002","90","","3337.92","0.09","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H92 B2 N6 -","- C80 H92 B2 N6 -","- C160 H184 B4 N12 -","2","0.5","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge-Localized p-Phenylenedihydrazine Radical Cations: ESR and Optical Studies of Intramolecular Electron Transfer Rates","Journal of the American Chemical Society","1997","119","","10213","10222","10.1021/ja9720321","","","0.71073","MoKα","","0.0787","0.0502","","0.1284","0.1141","","","","1.025","1.082","1.082","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117043","20.713","0.0003","9.6069","0.0002","23.0974","0.0004","90","","100.102","0.002","90","","4524.85","0.14","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H70 B N4 -","- C54.0135 H70.0225 B N4.0018 -","- C216.054 H280.09 B4 N16.0072 -","4","1","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge-Localized p-Phenylenedihydrazine Radical Cations: ESR and Optical Studies of Intramolecular Electron Transfer Rates","Journal of the American Chemical Society","1997","119","","10213","10222","10.1021/ja9720321","","","0.71073","MoKα","","0.0845","0.0643","","0.1524","0.1372","","","","1.178","1.208","1.208","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117044","13.372","0.007","12.838","0.008","18.645","0.012","90","","110.98","0.04","90","","2989","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H34 Cl6 N4 O4 Pt2 -","- C18 H4 Cl6 N4 O4 Pt2 -","- C72 H16 Cl24 N16 O16 Pt8 -","4","1","","Giuliano Bandoli; Paola A. Caputo; Francesco P. Intini; Maria F. Sivo; Giovanni Natile","Synthesis and X-ray Structural Characterization of Two Unbridged Diplatinum(III) Compounds: cis- and trans-Bis[bis(1-imino-1-methoxyethane)trichloroplatinum(III)]. Transient Species in the Oxidation of Platinum(II) to Platinum(IV)","Journal of the American Chemical Society","1997","119","","10370","10376","10.1021/ja964170g","","","0.71073","MoKα","","0.1131","0.0536","","0.16","0.1238","","","","0.687","0.811","0.811","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117045","11.218","0.009","11.649","0.011","22.995","0.019","90","","95.94","0.07","90","","2989","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H34 Cl6 N4 O4 Pt2 -","- C18 Cl6 N4 O4 Pt2 -","- C72 Cl24 N16 O16 Pt8 -","4","0.5","","Giuliano Bandoli; Paola A. Caputo; Francesco P. Intini; Maria F. Sivo; Giovanni Natile","Synthesis and X-ray Structural Characterization of Two Unbridged Diplatinum(III) Compounds: cis- and trans-Bis[bis(1-imino-1-methoxyethane)trichloroplatinum(III)]. Transient Species in the Oxidation of Platinum(II) to Platinum(IV)","Journal of the American Chemical Society","1997","119","","10370","10376","10.1021/ja964170g","","","0.71073","MoKα","","0.1167","0.0661","","0.2215","0.1578","","","","0.994","1.117","1.117","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117046","9.1222","0.0002","10.1711","0.0002","10.5369","0.0001","63.696","0.001","84.25","","89.698","0.001","871.16","0.03","198","2","198","2","","","","","","","","7","P -1","-P 1","2","","2,3'-dicyanodiphenylacetylene silver(I) triflate","","- C17 H8 Ag F3 N2 O3 S -","- C17 H8 Ag F3 N2 O3 S -","- C34 H16 Ag2 F6 N4 O6 S2 -","2","1","","Keith A. Hirsch; Scott R. Wilson; Jeffrey S. Moore","Association of Dicyanodiphenylacetylenes with Silver(I) Salts in Solution and Solid State: Electrospray Ionization Mass Spectrometry Samples Aggregates at Subsaturated Concentrations","Journal of the American Chemical Society","1997","119","","10401","10412","10.1021/ja971135g","","","0.71073","MoKα","","0.0424","0.0334","","0.0739","0.0666","","","","1.143","1.1","1.1","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117047","7.5089","0.0004","9.8145","0.0005","11.22","0.0006","69.995","0.001","80.16","","83.517","0.002","764.22","0.07","293","2","198","2","","","","","","","","6","P -1","-P 1","2","","2,3'-dicyanodiphenylacetylene silver(I) perchlorate","","- C16 H8 Ag Cl N2 O4 -","- C16 H8 Ag Cl N2 O4 -","- C32 H16 Ag2 Cl2 N4 O8 -","2","1","","Keith A. Hirsch; Scott R. Wilson; Jeffrey S. Moore","Association of Dicyanodiphenylacetylenes with Silver(I) Salts in Solution and Solid State: Electrospray Ionization Mass Spectrometry Samples Aggregates at Subsaturated Concentrations","Journal of the American Chemical Society","1997","119","","10401","10412","10.1021/ja971135g","","","0.71073","MoKα","","0.0576","0.0429","","0.0957","0.0842","","","","1.239","1.202","1.202","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117048","8.62","0.0005","10.5473","0.0005","10.8146","0.0004","62.106","0.002","88.499","0.003","86.486","0.002","867.36","0.07","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","2.3'-dicyanodiphenylacetylene silver(I) hexafluoroantimonate","","- C16 H8 Ag F6 N2 Sb -","- C16 H8 Ag F6 N2 Sb -","- C32 H16 Ag2 F12 N4 Sb2 -","2","1","","Keith A. Hirsch; Scott R. Wilson; Jeffrey S. Moore","Association of Dicyanodiphenylacetylenes with Silver(I) Salts in Solution and Solid State: Electrospray Ionization Mass Spectrometry Samples Aggregates at Subsaturated Concentrations","Journal of the American Chemical Society","1997","119","","10401","10412","10.1021/ja971135g","","","0.71073","MoKα","","0.1116","0.0682","","0.1508","0.1196","","","","1.16","1.17","1.17","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117049","12.9134","0.0015","19.849","0.002","6.8919","0.0008","90","","90","","90","","1766.5","0.3","198","2","198","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","2,2'-dicyanodiphenylacetylene silver(I) triflate","","- C17 H8 Ag F3 N2 O3 S -","- C17 H8 Ag F3 N2 O3 S -","- C68 H32 Ag4 F12 N8 O12 S4 -","4","0.5","","Keith A. Hirsch; Scott R. Wilson; Jeffrey S. Moore","Association of Dicyanodiphenylacetylenes with Silver(I) Salts in Solution and Solid State: Electrospray Ionization Mass Spectrometry Samples Aggregates at Subsaturated Concentrations","Journal of the American Chemical Society","1997","119","","10401","10412","10.1021/ja971135g","","","0.71073","MoKα","","0.114","0.0506","","0.1044","0.0824","","","","1.117","1.177","1.177","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117050","10.5845","0.0003","14.5015","0.0001","11.9019","0.0003","90","","107.4","0.001","90","","1743.24","0.07","198","2","198","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2,4'-dicyanodiphenylacetylene silver(I) triflate","","- C17 H8 Ag F3 N2 O3 S -","- C17 H8 Ag F3 N2 O3 S -","- C68 H32 Ag4 F12 N8 O12 S4 -","4","1","","Keith A. Hirsch; Scott R. Wilson; Jeffrey S. Moore","Association of Dicyanodiphenylacetylenes with Silver(I) Salts in Solution and Solid State: Electrospray Ionization Mass Spectrometry Samples Aggregates at Subsaturated Concentrations","Journal of the American Chemical Society","1997","119","","10401","10412","10.1021/ja971135g","","","0.71073","MoKα","","0.0644","0.0409","","0.1092","0.0945","","","","1.043","1.066","1.066","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117051","12.8145","0.0009","13.955","0.001","11.166","0.0009","90","","90","","90","","1996.8","0.3","168","2","168","2","","","","","","","synthesis","5","P n n 2","P 2 -2n","34","","","","- C42 H36 Cl6 Co3 N12 -","- C41 H32 Cl4 Co3 N12 -","- C82 H64 Cl8 Co6 N24 -","2","0.5","","F. Albert Cotton; Lee M. Daniels; Glenn T. Jordan; Carlos A. Murillo","Symmetrical and Unsymmetrical Compounds Having a Linear Co36+ Chain Ligated by a Spiral Set of Dipyridyl Anions","Journal of the American Chemical Society","1997","119","","10377","10381","10.1021/ja971997h","","","0.71073","MoKα","","0.0468","0.0325","","0.0836","0.0775","","","","1.035","1.046","1.046","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117052","13.803","0.008","13.803","0.002","14.946","0.0003","90","","90","","90","","2847.6","1.7","213","2","213","2","","","","","","","synthesis","5","P 4/n :2","-P 4a","85","","","","- C60 H48 Cl2 Co4 N18 -","- C60 H48 Cl2 Co4 N18 -","- C120 H96 Cl4 Co8 N36 -","2","0.25","","F. Albert Cotton; Lee M. Daniels; Glenn T. Jordan; Carlos A. Murillo","Symmetrical and Unsymmetrical Compounds Having a Linear Co36+ Chain Ligated by a Spiral Set of Dipyridyl Anions","Journal of the American Chemical Society","1997","119","","10377","10381","10.1021/ja971997h","","","0.71073","MoKα","","0.0503","0.0393","","0.0993","0.0908","","","","1.112","1.128","1.128","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117053","18.777","0.007","16.538","0.002","15.455","0.006","90","","109.73","0.02","90","","4518","3","168","2","168","2","","","","","","","synthesis","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 B Cl5 Co3 F4 N12 -","- C42 H32 B Cl5 Co3 F4 N12 -","- C168 H128 B4 Cl20 Co12 F16 N48 -","4","0.5","","F. Albert Cotton; Lee M. Daniels; Glenn T. Jordan; Carlos A. Murillo","Symmetrical and Unsymmetrical Compounds Having a Linear Co36+ Chain Ligated by a Spiral Set of Dipyridyl Anions","Journal of the American Chemical Society","1997","119","","10377","10381","10.1021/ja971997h","","","0.71073","MoKα","","0.101","0.0422","","0.1135","0.0954","","","","1.022","1.142","1.142","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117054","20.594","0.002","13.754","0.004","18.937","0.004","90","","114.76","0.02","90","","4871","2","213","2","213","2","","","","","","","synthesis","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 B2 Cl4 Co3 F8 N12 -","- C42 H32 B2 Cl4 Co3 F8 N12 -","- C168 H128 B8 Cl16 Co12 F32 N48 -","4","1","","F. Albert Cotton; Lee M. Daniels; Glenn T. Jordan; Carlos A. Murillo","Symmetrical and Unsymmetrical Compounds Having a Linear Co36+ Chain Ligated by a Spiral Set of Dipyridyl Anions","Journal of the American Chemical Society","1997","119","","10377","10381","10.1021/ja971997h","","","0.71073","MoKα","","0.095","0.07","","0.1686","0.1482","","","","1.067","1.077","1.077","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117055","17.221","0.004","13.147","0.001","17.332","0.003","90","","106.29","0.01","90","","3766.5","1.1","293","2","127","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","octaehthylporphyrin diacid, perchlorate salt","","","- C144 H192 Cl8 N16 O32 -","- C144 H192 Cl8 N16 O32 -","- C144 H192 Cl8 N16 O32 -","1","0.25","","Beisong Cheng; Orde Q. Munro; Helder M. Marques; W. Robert Scheidt","An Analysis of Porphyrin Molecular Flexibility Use of Porphyrin Diacids","Journal of the American Chemical Society","1997","119","","10732","10742","10.1021/ja9716214","","","0.71073","MoKα","","0.1317","0.069","","0.1898","0.154","","","","1.046","1.154","1.154","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117056","8.074","0.002","31.411","0.015","17.021","0.006","90","","98.17","0.04","90","","4273","3","293","2","127","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetraphenylporhyrin dicacid, perchorate salt","","","- C200 H152 Cl8 N16 O32 -","- C200 H152 Cl8 N16 O32 -","- C200 H152 Cl8 N16 O32 -","1","0.25","","Beisong Cheng; Orde Q. Munro; Helder M. Marques; W. Robert Scheidt","An Analysis of Porphyrin Molecular Flexibility Use of Porphyrin Diacids","Journal of the American Chemical Society","1997","119","","10732","10742","10.1021/ja9716214","","","0.71073","MoKα","","0.2523","0.1073","","0.2745","0.2087","","","","1.011","1.296","1.296","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117057","14.288","0.003","19.153","0.011","19.622","0.009","97.8","0.01","99.16","0.02","98.12","0.02","5179","4","127","1","293","2","","","","","","","","6","P -1","-P 1","2","tetramesitylporphyrin diacid, perchlorate salt","","","- C228 H223.84 Cl7.92 N16 O33.68 Zn0.04 -","- C228 H223.84 Cl7.92 N16 O33.68 Zn0.04 -","- C228 H223.84 Cl7.92 N16 O33.68 Zn0.04 -","1","0.5","","Beisong Cheng; Orde Q. Munro; Helder M. Marques; W. Robert Scheidt","An Analysis of Porphyrin Molecular Flexibility Use of Porphyrin Diacids","Journal of the American Chemical Society","1997","119","","10732","10742","10.1021/ja9716214","","","0.71073","MoKα","","0.1422","0.0796","","0.2112","0.1752","","","","1.043","1.169","1.169","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117058","9.154","0.002","10.377","0.002","11.362","0.002","90","","93.69","0.03","90","","1077.1","0.4","218","2","218","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","Wolfram W. Sander; Götz Bucher; Holger Wandel; Elfi Kraka; Dieter Cremer; William S. Sheldrick","Photochemistry of p-Benzoquinone Diazide Carboxylic Acids: Formation of 2,4-Didehydrophenols","Journal of the American Chemical Society","1997","119","","10660","10672","10.1021/ja971731a","","","0.71073","MoKα","","0.1389","0.0609","","0.1596","0.1274","","","","0.907","1.143","1.143","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117059","16.0335","0.0003","17.4135","0.0001","18.3742","0.0003","90","","90","","90","","5130.06","0.13","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H40 Ni P2 S -","- C26 H40 Ni P2 S -","- C208 H320 Ni8 P16 S8 -","8","1","","David A. Vicic; William D. Jones","Room-Temperature Desulfurization of Dibenzothiophene Mediated by [(i-Pr2PCH2)2NiH]2","Journal of the American Chemical Society","1997","119","","10855","10856","10.1021/ja972544f","","","0.71073","MoKα","","0.0616","0.0485","","0.086","0.082","","","","1.226","1.261","1.261","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117060","16.3477","0.0001","16.6742","0.0002","17.2145","0.0001","118.508","0.001","92.706","0.001","104.855","0.001","3905.41","0.08","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H65 F6 Ni2 P5 S -","- C28 H65 F6 Ni2 P5 S -","- C112 H260 F24 Ni8 P20 S4 -","4","2","","David A. Vicic; William D. Jones","Room-Temperature Desulfurization of Dibenzothiophene Mediated by [(i-Pr2PCH2)2NiH]2","Journal of the American Chemical Society","1997","119","","10855","10856","10.1021/ja972544f","","","0.71073","MoKα","","0.0796","0.0558","","0.1297","0.1176","","","","1.045","1.119","1.119","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117061","9.295","0.004","19.67","0.01","8.886","0.006","94.36","0.03","102.95","0.04","87.04","0.04","1577.7","1.5","288.2","","288.2","","","","","","","","cyclen-attached uracil , picric adic","4","P -1","-P 1","2","cyclen-attached uracil dipicrate","","","- C25 H32 N12 O17 -","- C25 H32 N12 O17 -","- C50 H64 N24 O34 -","2","1","","Eiichi Kimura; Hideyuki Kitamura; Tohru Koike; Motoo Shiro","Facile and Selective Electrostatic Stabilization of Uracil N(1)-Anion by a Proximate Protonated Amine: A Chemical Implication for Why Uracil N(1) Is Chosen for Glycosylation Site","Journal of the American Chemical Society","1997","119","","10909","10919","10.1021/ja972129n","","","0.7107","MoKα","","","0.0541","","","0.081","","","","","1.79","1.79","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117062","9.461","0.003","13.156","0.004","8.687","0.002","101.21","0.02","103.55","0.02","73.21","0.02","997","0.5","296.2","","296.2","","","","","","","","cyclen-attached uracil, zinc perchlorate","6","P -1","-P 1","2","cyclen-attached uracil zinc complex","","","- C13 H25 Cl N6 O7 Zn -","- C13 H25 Cl N6 O7 Zn -","- C26 H50 Cl2 N12 O14 Zn2 -","2","1","","Eiichi Kimura; Hideyuki Kitamura; Tohru Koike; Motoo Shiro","Facile and Selective Electrostatic Stabilization of Uracil N(1)-Anion by a Proximate Protonated Amine: A Chemical Implication for Why Uracil N(1) Is Chosen for Glycosylation Site","Journal of the American Chemical Society","1997","119","","10909","10919","10.1021/ja972129n","","","1.5418","CuKα","","","0.0626","","","0.093","","","","","1.782","1.782","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117063","8.5231","0.0013","8.5231","0.0013","32.956","0.007","90","","90","","90","","2394","0.7","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","(Me5CpMoCl)2B4H7","","- C20 H37 B3 Cl2 Mo2 -","- C20 H37 B3 Cl2 Mo2 -","- C80 H148 B12 Cl8 Mo8 -","4","0.5","","Simon Aldridge; Maoyu Shang; Thomas P. Fehlner","Origins of Unsaturation in Group 6 Metallaboranes. Synthesis, Crystal Structure, and Molecular Orbital Calculations for (Cp*MoCl)2B3H7 (Cp* = Pentamethylcyclopentadienyl)","Journal of the American Chemical Society","1997","119","","11120","11121","10.1021/ja972685h","","","0.71073","MoKα","","0.0542","0.042","","0.1053","0.0944","","","","1.143","1.104","1.104","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117064","24.8856","0.0006","18.6662","0.0005","45.7427","0.0012","90","","93.545","0.001","90","","21207.7","0.9","159","2","293","2","","","","","","","synthetic","6","P 1 21/n 1","-P 2yn","14","[(Bis-(tetrra-n-butylammonium))-hexa((η4-1,5-cyclooctadienyl)iridium)- tetratungstate 4-acetonitrile solvate]","","","- C88 H156 Ir6 N6 O16 W4 -","- C88 H118.92 Ir6 N6 O16 W4 -","- C704 H951.36 Ir48 N48 O128 W32 -","8","2","","Yoshihito Hayashi; Frank Müller; Yin Lin; Susie M. Miller; Oren P. Anderson; Richard G. Finke","2CH3CN@(n-Bu4N)2[{Ir(1,5-COD)}6W4O16].2CH3CN: A Hybrid Inorganic-Organometallic, Flexible Cavity Host, Acetonitrile-Guest Complex Composed of a [W4O4]n+ Tetratungstate Cube and Six Polyoxoanion-Supported (1,5-COD)Ir+ Organometallic Groups","Journal of the American Chemical Society","1997","119","","11401","11407","10.1021/ja970336h","","","0.71073","MoKα","","0.1197","0.0655","","0.1811","0.134","","","","1.048","1.097","1.097","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117065","23.0436","0.0009","23.0436","0.0009","12.0745","0.0007","90","","90","","90","","6411.7","0.5","173","2","173","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Br1.89 H17.2 O8.6 -","- Br2.162 H32.2 O8.64 -","- Br43.24 H644 O172.8 -","20","1.25","","Konstantin A. Udachin; Gary D. Enright; Christopher I. Ratcliffe; John A. Ripmeester","Structure, Stoichiometry, and Morphology of Bromine Hydrate","Journal of the American Chemical Society","1997","119","","11481","11486","10.1021/ja971206b","","","0.71073","MoKα","","0.0747","0.0484","","","0.0747","0.0853","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117066","11.738","0.002","12.183","0.002","15.259","0.003","107.9","0.03","109.15","0.03","95.55","0.03","1913.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H58 F3 O2 P2 Pd -","- C38 H58 F3 O2 P2 Pd -","- C76 H116 F6 O4 P4 Pd2 -","2","1","","Manuela Ohff; Andreas Ohff; Milko E. van der Boom; David Milstein","Highly Active Pd(II) PCP-Type Catalysts for the Heck Reaction","Journal of the American Chemical Society","1997","119","","11687","11688","10.1021/ja9729692","","","0.71073","MoKα","","0.0944","0.0645","","0.1799","0.1523","","","","1.052","1.083","1.083","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117067","7.6495","0.0003","18.7062","0.0002","24.6703","0.0005","90","","90","","90","","3530.15","0.16","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34.73 H47.47 N4 O6.87 S -","- C34.736 H47.472 N4 O6.868 S -","- C138.944 H189.888 N16 O27.472 S4 -","4","1","","Susanne Krauthäuser; Laurie A. Christianson; Douglas R. Powell; Samuel H. Gellman","Antiparallel Sheet Formation in β-Peptide Foldamers: Effects of β-Amino Acid Substitution on Conformational Preference1","Journal of the American Chemical Society","1997","119","","11719","11720","10.1021/ja9730627","","","0.71073","MoKα","","0.1294","0.067","","0.1789","0.1466","","","","1.034","1.153","1.153","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117068","6.7552","0.0008","10.4554","0.0011","10.4455","0.0011","62.819","0.006","71.815","0.006","83.688","0.005","623.03","0.13","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10 Cu0.5 N6 Na O9 -","- C6 H10 Cu0.5 N6 Na O9 -","- C12 H20 Cu N12 Na2 O18 -","2","1","","Falvello, Larry R.; Pascual, Isabel; Tomás, Milagros; Urriolabeitia, Esteban P.","The Cyanurate Ribbon in Structural Coordination Chemistry: An Aggregate Structure That Persists across Different Coordination Environments and Structural Types","Journal of the American Chemical Society","1997","119","49","11894","11902","10.1021/ja970297+","","","0.71073","MoKα","","0.0438","0.0319","","0.0779","0.0732","","","","1.113","1.154","1.154","","","","","has coordinates","270158","2021-10-29","11:41:33",""
"4117069","5.031","0.001","6.989","0.001","9.12","0.002","90.04","0.03","98.01","0.03","110.84","0.03","296.33","0.12","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Cu N8 O6 -","- C6 H10 Cu N8 O6 -","- C6 H10 Cu N8 O6 -","1","0.5","","Falvello, Larry R.; Pascual, Isabel; Tomás, Milagros; Urriolabeitia, Esteban P.","The Cyanurate Ribbon in Structural Coordination Chemistry: An Aggregate Structure That Persists across Different Coordination Environments and Structural Types","Journal of the American Chemical Society","1997","119","49","11894","11902","10.1021/ja970297+","","","0.71073","MoKα","","0.0286","0.0265","","0.073","0.0705","","","","1.18","1.181","1.181","","","","","has coordinates","270158","2021-10-29","11:41:37",""
"4117070","7.143","0.001","8.683","0.002","11.602","0.002","102.12","0.03","101.24","0.03","106.22","0.03","650.4","0.3","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 Cu2 N18 O12 -","- C12 Cu2 N18 O12 -","- C12 Cu2 N18 O12 -","1","0.5","","Falvello, Larry R.; Pascual, Isabel; Tomás, Milagros; Urriolabeitia, Esteban P.","The Cyanurate Ribbon in Structural Coordination Chemistry: An Aggregate Structure That Persists across Different Coordination Environments and Structural Types","Journal of the American Chemical Society","1997","119","49","11894","11902","10.1021/ja970297+","","","0.71073","MoKα","","0.107","0.0813","","0.3366","0.2626","","","","1.121","1.029","1.029","","","","","has coordinates","270158","2021-10-29","11:41:47",""
"4117071","12.05","0.002","7.266","0.002","15.971","0.002","90","","90","","90","","1398.3","0.5","298","2","298","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H32 N20 Ni2 O12 -","- C12 H32 N20 Ni2 O12 -","- C24 H64 N40 Ni4 O24 -","2","0.125","","Falvello, Larry R.; Pascual, Isabel; Tomás, Milagros; Urriolabeitia, Esteban P.","The Cyanurate Ribbon in Structural Coordination Chemistry: An Aggregate Structure That Persists across Different Coordination Environments and Structural Types","Journal of the American Chemical Society","1997","119","49","11894","11902","10.1021/ja970297+","","","0.71073","MoKα","","0.0285","0.0265","","0.0756","0.0743","","","","1.158","1.171","1.171","","","","","has coordinates","270158","2021-10-29","11:41:47",""
"4117072","6.334","0.001","16.022","0.002","7.017","0.001","90","","114.13","0.02","90","","649.88","0.19","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 N10 Ni O6 -","- C6 H14 N8 Ni O8 -","- C12 H28 N16 Ni2 O16 -","2","0.5","","Falvello, Larry R.; Pascual, Isabel; Tomás, Milagros; Urriolabeitia, Esteban P.","The Cyanurate Ribbon in Structural Coordination Chemistry: An Aggregate Structure That Persists across Different Coordination Environments and Structural Types","Journal of the American Chemical Society","1997","119","49","11894","11902","10.1021/ja970297+","","","0.71073","MoKα","","0.0482","0.041","","0.1156","0.1025","","","","1.029","1.057","1.057","","","","","has coordinates","270158","2021-10-29","11:41:47",""
"4117073","11.645","0.001","13.44","0.002","16.561","0.002","102.051","0.008","97.585","0.009","113.132","0.009","2264.1","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H34 Cl6 Cu N3 O3 P2 -","- C41 H33 Cl6 Cu N3 O3 P2 -","- C82 H66 Cl12 Cu2 N6 O6 P4 -","2","1","","Falvello, Larry R.; Pascual, Isabel; Tomás, Milagros; Urriolabeitia, Esteban P.","The Cyanurate Ribbon in Structural Coordination Chemistry: An Aggregate Structure That Persists across Different Coordination Environments and Structural Types","Journal of the American Chemical Society","1997","119","49","11894","11902","10.1021/ja970297+","","","0.71073","MoKα","","0.1891","0.0685","","0.1491","0.1096","","","","1.078","1.203","1.203","","","","","has coordinates","270158","2021-10-29","11:41:47",""
"4117074","20.82","0.006","20.82","0.006","11.68","0.005","90","","90","","120","","4385","3","183","2","183","2","","","","","","","","5","P 63","P 6c","173","","","","- C21 H50 Mo N4 Si3 -","- C21 H50 Mo N4 Si3 -","- C126 H300 Mo6 N24 Si18 -","6","1","","Richard R. Schrock; Scott W. Seidel; Nadia C. Mösch-Zanetti; Keng-Yu Shih; Myra B. O'Donoghue; William M. Davis; William M. Reiff","Synthesis and Decomposition of Alkyl Complexes of Molybdenum(IV) That Contain a [(Me3SiNCH2CH2)3N]3- Ligand. Direct Detection of α-Elimination Processes That Are More than Six Orders of Magnitude Faster than β-Elimination Processes","Journal of the American Chemical Society","1997","119","","11876","11893","10.1021/ja970697x","","","0.71073","MoKα","","0.067","0.0569","","0.1702","0.1488","","","","1.113","1.142","1.142","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117075","8.972","0.003","17.308","0.004","15.398","0.003","90","","100.61","0.03","90","","2350.2","1.1","188","2","188","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H38 Mo N4 Si3 -","- C15 H38 Mo N4 Si3 -","- C60 H152 Mo4 N16 Si12 -","4","1","","Richard R. Schrock; Scott W. Seidel; Nadia C. Mösch-Zanetti; Keng-Yu Shih; Myra B. O'Donoghue; William M. Davis; William M. Reiff","Synthesis and Decomposition of Alkyl Complexes of Molybdenum(IV) That Contain a [(Me3SiNCH2CH2)3N]3- Ligand. Direct Detection of α-Elimination Processes That Are More than Six Orders of Magnitude Faster than β-Elimination Processes","Journal of the American Chemical Society","1997","119","","11876","11893","10.1021/ja970697x","","","0.71073","MoKα","","0.0242","0.0231","","0.0583","0.0572","","","","1.125","1.126","1.126","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117076","17.3528","0.0001","9.6851","0.0002","15.9445","0.0003","90","","110.621","0.001","90","","2508","0.07","183","2","183","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H42 Mo N4 Si3 -","- C16 H42 Mo N4 Si3 -","- C64 H168 Mo4 N16 Si12 -","4","1","","Richard R. Schrock; Scott W. Seidel; Nadia C. Mösch-Zanetti; Keng-Yu Shih; Myra B. O'Donoghue; William M. Davis; William M. Reiff","Synthesis and Decomposition of Alkyl Complexes of Molybdenum(IV) That Contain a [(Me3SiNCH2CH2)3N]3- Ligand. Direct Detection of α-Elimination Processes That Are More than Six Orders of Magnitude Faster than β-Elimination Processes","Journal of the American Chemical Society","1997","119","","11876","11893","10.1021/ja970697x","","","0.71073","MoKα","","0.0799","0.066","","0.1148","0.1096","","","","1.085","1.119","1.119","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117077","20.951","0.004","10.999","0.002","12.05","0.002","90","","90","","90","","2776.8","0.9","188","2","188","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C16 H39 F3 Mo N4 O3 S Si3 -","- C16 H39 F3 Mo N4 O3 S Si3 -","- C64 H156 F12 Mo4 N16 O12 S4 Si12 -","4","1","","Richard R. Schrock; Scott W. Seidel; Nadia C. Mösch-Zanetti; Keng-Yu Shih; Myra B. O'Donoghue; William M. Davis; William M. Reiff","Synthesis and Decomposition of Alkyl Complexes of Molybdenum(IV) That Contain a [(Me3SiNCH2CH2)3N]3- Ligand. Direct Detection of α-Elimination Processes That Are More than Six Orders of Magnitude Faster than β-Elimination Processes","Journal of the American Chemical Society","1997","119","","11876","11893","10.1021/ja970697x","","","0.71073","MoKα","","0.0644","0.0486","","0.1542","0.1068","","","","0.996","1.016","1.016","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117078","7.459","0.001","14.509","0.003","23.751","0.005","90","","90","","90","","2570.4","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-bis(m-bromophenyl)formamidine","","- C13 H10 Br2 N2 -","- C13 H10 Br2 N2 -","- C104 H80 Br16 N16 -","8","1","","Romana Anulewicz; Iwona Wawer; Tadeusz Marek Krygowski; Ferdinand Männle; Hans-Heinrich Limbach","Combined X-ray Diffraction and15N CPMAS NMR Study of Molecular Structure and Proton Order/Disorder Phenomena in Cyclic N,N'-Bisarylformamidine Dimers","Journal of the American Chemical Society","1997","119","","12223","12230","10.1021/ja970699h","","","1.54178","CuKα","","0.0819","0.0751","","0.2669","0.2377","","","","1.109","1.153","1.153","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117079","10.882","0.002","10.93","0.002","11.326","0.002","69.51","0.03","65.7","0.03","72.12","0.03","1128.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","2","","Romana Anulewicz; Iwona Wawer; Tadeusz Marek Krygowski; Ferdinand Männle; Hans-Heinrich Limbach","Combined X-ray Diffraction and 15N CPMAS NMR Study of Molecular Structure and Proton Order/Disorder Phenomena in Cyclic N,N'-Bisarylformamidine Dimers","Journal of the American Chemical Society","1997","119","","12223","12230","10.1021/ja970699h","","","1.54178","CuKα","","0.0655","0.0455","","0.1383","0.1156","","","","0.928","0.947","0.947","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117080","9.925","0.002","10.232","0.002","14.98","0.003","93.12","0.03","106.8","0.03","107.76","0.03","1369.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","2","","Romana Anulewicz; Iwona Wawer; Tadeusz Marek Krygowski; Ferdinand Männle; Hans-Heinrich Limbach","Combined X-ray Diffraction and 15N CPMAS NMR Study of Molecular Structure and Proton Order/Disorder Phenomena in Cyclic N,N'-Bisarylformamidine Dimers","Journal of the American Chemical Society","1997","119","","12223","12230","10.1021/ja970699h","","","1.54178","CuKα","","0.0701","0.061","","0.1774","0.1507","","","","1.057","1.082","1.082","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117081","6.099","0.001","10.519","0.002","10.122","0.002","93.17","0.03","96.34","0.03","80.99","0.03","637","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 N2 -","- C15 H16 N2 -","- C30 H32 N4 -","2","1","","Romana Anulewicz; Iwona Wawer; Tadeusz Marek Krygowski; Ferdinand Männle; Hans-Heinrich Limbach","Combined X-ray Diffraction and15N CPMAS NMR Study of Molecular Structure and Proton Order/Disorder Phenomena in Cyclic N,N'-Bisarylformamidine Dimers","Journal of the American Chemical Society","1997","119","","12223","12230","10.1021/ja970699h","","","1.54178","CuKα","","0.0874","0.0683","","0.1873","0.1725","","","","1.02","1.053","1.053","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117082","7.674","0.002","8.575","0.002","10.489","0.002","76.28","0.03","79.46","0.03","78.13","0.03","649.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C26 H20 N8 O8 -","2","1","","Romana Anulewicz; Iwona Wawer; Tadeusz Marek Krygowski; Ferdinand Männle; Hans-Heinrich Limbach","Combined X-ray Diffraction and15N CPMAS NMR Study of Molecular Structure and Proton Order/Disorder Phenomena in Cyclic N,N'-Bisarylformamidine Dimers","Journal of the American Chemical Society","1997","119","","12223","12230","10.1021/ja970699h","","","1.54178","CuKα","","0.1071","0.0533","","0.1776","0.1449","","","","0.988","1.165","1.165","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117083","15.335","0.005","20.333","0.007","23.562","0.005","90","","90","","90","","7347","4","296.2","","296.2","","","","","","","","prepared bis(2,2'-biphenylylene)sulfurane/XeF2/BF3.OEt2","6","P b c n","-P 2n 2ab","60","bis(2,2'-biphenylylene)sulfuranyl bis(tetrafluoroborate)","","","- C36 H24 B3 F12 O1.33 S1.5 -","- C36 H24 B2.5 F12.06 O1.34 S1.25 -","- C288 H192 B20 F96.48 O10.72 S10 -","8","1","","Soichi Sato; Hitomi Ameta; Ernst Horn; Ohgi Takahashi; Naomichi Furukawa","First Isolation and Molecular Structure of Bis(2,2'-biphenylylene)sulfuranyl Bis(tetrafluoroborate) [8-S-4(C4)]2+","Journal of the American Chemical Society","1997","119","","12374","12375","10.1021/ja971336k","","","0.7107","MoKα","","","0.0879","","","0.0833","","","","","2.096","2.096","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117084","3.8496","0.001","7.9577","0.0007","15.528","0.0018","90","","95.963","0.014","90","","473.11","0.14","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 Cl2 N2 S4 -","- C6 Cl2 N2 S4 -","- C12 Cl4 N4 S8 -","2","0.5","","T. M. Barclay; A. W. Cordes; J. D. Goddard; R. C. Mawhinney; R. T. Oakley; K. E. Preuss; R. W. Reed","Benzo-Bridged Bis(1,2,3-dithiazoles) and Their Selenium Analogues. Preparation, Molecular and Electronic Structures, and Redox Chemistry","Journal of the American Chemical Society","1997","119","","12136","12141","10.1021/ja972927d","","","0.7093","MolybdenumKα","","0.039","0.038","","0.032","0.032","","","","","1.2","1.2","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117085","7.2015","0.0006","7.2286","0.0009","11.2841","0.001","104.746","0.009","100.965","0.008","99.638","0.008","543.09","0.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C6 Al2 Cl10 N2 S4 -","- C6 Al2 Cl10 N2 S4 -","- C6 Al2 Cl10 N2 S4 -","1","0.5","","T. M. Barclay; A. W. Cordes; J. D. Goddard; R. C. Mawhinney; R. T. Oakley; K. E. Preuss; R. W. Reed","Benzo-Bridged Bis(1,2,3-dithiazoles) and Their Selenium Analogues. Preparation, Molecular and Electronic Structures, and Redox Chemistry","Journal of the American Chemical Society","1997","119","","12136","12141","10.1021/ja972927d","","","0.7093","MolybdenumKα","","0.041","0.041","","0.055","0.054","","","","","1.01","1.01","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117086","7.478","0.004","3.9733","0.0017","15.875","0.009","90","","90.33","0.04","90","","471.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 Cl2 N2 S2 Se2 -","- C6 Cl2 N2 S2 Se2 -","- C12 Cl4 N4 S4 Se4 -","2","0.5","","T. M. Barclay; A. W. Cordes; J. D. Goddard; R. C. Mawhinney; R. T. Oakley; K. E. Preuss; R. W. Reed","Benzo-Bridged Bis(1,2,3-dithiazoles) and Their Selenium Analogues. Preparation, Molecular and Electronic Structures, and Redox Chemistry","Journal of the American Chemical Society","1997","119","","12136","12141","10.1021/ja972927d","","","0.7093","MolybdenumK/a","","0.0889","0.0889","","0.2162","0.2122","","","","","1.07","1.07","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117087","9.1189","0.0013","12.0258","0.0019","9.8823","0.001","90","","92.368","0.01","90","","1082.8","0.3","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 Al2 Cl10 N2 S2 Se2 -","- C6 Al2 Cl10 N2 S2 Se2 -","- C12 Al4 Cl20 N4 S4 Se4 -","2","0.5","","T. M. Barclay; A. W. Cordes; J. D. Goddard; R. C. Mawhinney; R. T. Oakley; K. E. Preuss; R. W. Reed","Benzo-Bridged Bis(1,2,3-dithiazoles) and Their Selenium Analogues. Preparation, Molecular and Electronic Structures, and Redox Chemistry","Journal of the American Chemical Society","1997","119","","12136","12141","10.1021/ja972927d","","","0.7093","MolybdenumKα","","0.057","0.057","","0.071","0.071","","","","","1.99","1.99","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117088","15.065","0.002","13.986","0.001","17.565","0.003","90","","101.59","0.007","90","","3625.5","0.8","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C75.71 H66.43 Cl5.43 N9 O16 Zn -","- C75.714 H66.428 Cl5.428 N9 O16 Zn -","- C151.428 H132.856 Cl10.856 N18 O32 Zn2 -","2","1","","Marinella Mazzanti; Jean-Claude Marchon; Maoyu Shang; W. Robert Scheidt; Songling Jia; John A. Shelnutt","A Pyridine-Sensitive Venus Flytrap Porphyrin","Journal of the American Chemical Society","1997","119","","12400","12401","10.1021/ja972947f","","","0.71073","MoKα","","0.0665","0.0551","","0.1385","0.1299","","","","1.045","1.053","1.053","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117089","20.687","0.001","13.872","0.001","12.332","0.001","90","","90","","90","","3538.9","0.4","130","2","130","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","Zn(T-m-NPCP)(EtOH).1.02CH2Cl2","","- C71.03 H58.06 Cl2.05 N8 O17 Zn -","- C71.024 H56 Cl2.048 N8 O17 Zn -","- C142.048 H112 Cl4.096 N16 O34 Zn2 -","2","0.5","","Marinella Mazzanti; Jean-Claude Marchon; Maoyu Shang; W. Robert Scheidt; Songling Jia; John A. Shelnutt","A Pyridine-Sensitive Venus Flytrap Porphyrin","Journal of the American Chemical Society","1997","119","","12400","12401","10.1021/ja972947f","","","0.71073","MoKα","","0.0792","0.0669","","0.2004","0.1866","","","","1.073","1.082","1.082","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117090","14.132","0.003","18.519","0.007","12.177","0.005","102.13","0.03","95.35","0.03","95.6","0.02","3079.6","1.9","23","","","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H71 O4 P2 Rh -","- C76 H71 O4 P2 Rh -","- C152 H142 O8 P4 Rh2 -","2","1","","Kohtaro Osakada; Jun-chul Choi; Takakazu Yamamoto","π-Allylic Rhodium Complex Catalyzed Living Copolymerization of Arylallenes with Carbon Monoxide To Give Structurally Regulated Polyketones","Journal of the American Chemical Society","1997","119","","12390","12391","10.1021/ja971856f","","","0.71069","MoKα","","","0.062","","","","0.044","","","","","","3.23","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117091","10.843","0.002","11.223","0.005","11.654","0.003","99.64","0.03","96.75","0.02","111.05","0.03","1280.3","0.8","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C34 H27 N -","- C34 H27 N -","- C68 H54 N2 -","2","1","","Diego Armesto; Olga Caballero; Ulises Amador","Novel Photorearrangements of 2-Aza-1,4-dienes To Produce Vinylaziridines and Cyclopropylimines","Journal of the American Chemical Society","1997","119","","12659","12660","10.1021/ja972054n","","","0.71069","Mo(Kalpha)","","","0.042","","","","0.04","","","","","","0.47","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117092","6.154","0.001","16.585","0.003","15.461","0.004","90","","91.44","0.01","90","","1577.5","0.6","23","","","","","","","","","","synthesis","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 O4 -","- C38 H40 O4 -","- C76 H80 O8 -","2","0.5","","Kazuhisa Hiratani; Kazuyuki Kasuga; Midori Goto; Hirotaka Uzawa","Tandem Claisen Rearrangement: A Novel, One-Step Synthesis of Calixarene Analogues from Macrocyclic Polyethers","Journal of the American Chemical Society","1997","119","","12677","12678","10.1021/ja9722887","","","1.5418","CuKα","","","0.066","","","0.08","","","","","2.8","2.8","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117093","11.018","0.002","11.137","0.002","12.817","0.002","109.31","0.01","96.7","0.01","116.34","0.01","1264","0.4","23","","","","","","","","","","synthesis","3","P -1","-P 1","2","","","","- C54 H64 O12 -","- C54 H64 O12 -","- C54 H64 O12 -","1","0.5","","Kazuhisa Hiratani; Kazuyuki Kasuga; Midori Goto; Hirotaka Uzawa","Tandem Claisen Rearrangement: A Novel, One-Step Synthesis of Calixarene Analogues from Macrocyclic Polyethers","Journal of the American Chemical Society","1997","119","","12677","12678","10.1021/ja9722887","","","0.71073","MoKα","","","0.0613","","","0.1025","","","","","1.251","1.251","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117094","6.551","0.003","5.651","0.003","7.347","0.004","90","","90","","90","","272","0.2","123","2","123","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Formic acid - hydrogen fluoride (1/1)","","- C H3 F O2 -","- C H3 F O2 -","- C4 H12 F4 O8 -","4","0.5","","Dirk Wiechert; Dietrich Mootz; Thomas Dahlems","The Formic Acid 1D Array with H Bonds All Reversed: Structure of a Cocrystal with Hydrogen Fluoride1,2","Journal of the American Chemical Society","1997","119","","12665","12666","10.1021/ja972337f","","","0.71073","MoKα","","0.045","0.0386","","0.1281","0.1139","","","","1.203","1.165","1.165","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117095","11.5996","0.0002","7.0079","0.0002","28.4827","0.0006","90","","98.176","0.001","90","","2291.79","0.09","173","2","173","2","","","","","","","Prof. A. Sykes - USD","4","P 1 21/n 1","-P 2yn","14","97139","","","- C22 H25 Cl O12 -","- C22 H25 Cl O12 -","- C88 H100 Cl4 O48 -","4","1","","Victor G. Young; Heidi L. Quiring; Andrew G. Sykes","A Luminescent Sensor Responsive to Common Oxoacids: X-ray Crystal Structure of [H3O.1,8- Oxybis(ethyleneoxyethyleneoxy)anthracene-9,10-dione]ClO4","Journal of the American Chemical Society","1997","119","","12477","12480","10.1021/ja9727124","","","0.71073","MoKα","","0.0773","0.0517","","0.1407","0.1244","","","","1.056","1.138","1.138","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117096","15.627","0.002","10.872","0.001","16.462","0.002","90","","90","","90","","2796.8","0.6","213","2","213","2","","","","","","","Compound was prepared by stirring a suspension of [Bu4N]2[Re2Cl8] in benzene with an excess of PMe3 for 6 hours at room temperature. Single crystals were obtained by slow diffusion of isomeric hexanes into dichloromethane solution.","5","P b c a","-P 2ac 2ab","61","Bis(μ2-chloro)-tetrachloro-tetrakis(trimethylphosphine)- -di-rhenium (III)","Bis((μ2-chloro)-bis(dichloro-bis(trimethylphosphine))-di- rhenium (III)","","- C12 H36 Cl6 P4 Re2 -","- C12 H36 Cl6 P4 Re2 -","- C48 H144 Cl24 P16 Re8 -","4","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride Phosphine Complexes of Dirhenium Cores. 1. New Reactions and Unprecedented Structures Involving Trimethylphosphine","Journal of the American Chemical Society","1997","119","","12541","12549","10.1021/ja9733245","","","0.71073","MoKα","","0.0311","0.0256","","0.0728","0.0591","","","","1.16","1.159","1.159","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117097","9.101","0.002","14.526","0.003","9.3519","0.0009","90","","91.24","0.01","90","","1236","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tetrachloro-tetrakis(trimethylphosphine)-di-rhenium (II)","Bis(dichloro-bis(trimethylphosphine))-di-rhenium (II)","","- C12 H36 Cl4 P4 Re2 -","- C12 H36 Cl4 P4 Re2 -","- C24 H72 Cl8 P8 Re4 -","2","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride Phosphine Complexes of Dirhenium Cores. 1. New Reactions and Unprecedented Structures Involving Trimethylphosphine","Journal of the American Chemical Society","1997","119","","12541","12549","10.1021/ja9733245","","","0.71073","MoKα","","0.0466","0.0377","","0.1042","0.0967","","","","1.081","1.117","1.117","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117098","12.3336","0.0009","12.3336","0.0009","12.3336","0.0009","90","","90","","90","","1876.2","0.2","213","2","213","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Hexachloro-bis(trimethylphosphine)-di-rhenium (III)","Bis(trichloro-trimethylphosphine)-di-rhenium (III)","","- C6 H18 Cl6 P2 Re2 -","- C6 H18 Cl6 P2 Re1.98 -","- C24 H72 Cl24 P8 Re7.92 -","4","0.166667","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride Phosphine Complexes of Dirhenium Cores. 1. New Reactions and Unprecedented Structures Involving Trimethylphosphine","Journal of the American Chemical Society","1997","119","","12541","12549","10.1021/ja9733245","","","0.71073","MoKα","","0.0237","0.0237","","0.0469","0.0469","","","","1.24","1.241","1.241","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117099","9.7929","0.0008","20.9698","0.0015","8.8836","0.0006","101.143","0.003","102.256","0.004","86.064","0.002","1748.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Tetrakis(triphenylphosphine oxide)-diethynylbenzene-bis(water) clathrate","","","- C82 H70 O6 P4 -","- C82 H70 O6 P4 -","- C82 H70 O6 P4 -","1","0.5","","Benson M. Kariuki; Kenneth D. M. Harris; Douglas Philp; James M. A. Robinson","A Triphenylphoshine Oxide-Water Aggregate Facilitates an Exceptionally Short C-H...O Hydrogen Bond","Journal of the American Chemical Society","1997","119","","12679","12680","10.1021/ja973506z","","","0.71069","MoKα","","0.0514","0.048","","0.1141","0.1115","","","","1.126","1.135","1.135","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117100","8.282","0.006","5.14","0.003","8.268","0.005","90","","90","","90","","352","0.4","156","0.2","156","0.2","","","","","","","","2","P b c n","-P 2n 2ab","60","1,1,2,3-Tetrafluoro-cyclopropene","1,1,2,3-Fluoro-cyclopropene","","- C3 F4 -","- C3 F4 -","- C12 F16 -","4","0.5","","Basil T. Abdo; Ian L. Alberts; Christopher J. Attfield; R. Eric Banks; Alexander J. Blake; Paul T. Brain; A. Peter Cox; Colin R. Pulham; David W. H. Rankin; Heather E. Robertson; Vincent Murtagh; Axel Heppeler; Carole Morrison","Perfluorocyclopropene: Experimental and Theoretical Studies of Its Structure in Gaseous, Solution, and Crystalline Phases","Journal of the American Chemical Society","1996","118","","209","216","10.1021/ja952620j","","","0.71073","MoKa","","0.0323","0.0283","","0.0771","0.07","","","","1.126","1.164","1.164","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117101","11.319","0.002","8.899","0.001","34.051","0.003","90","","90","","90","","3429.9","0.8","296","1","296","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(±)-2-amino-2'-hydroxy-3'-(methoxycarbonyl)-1,1'-binaphtyl","","- C22 H17 N O3 -","- C22 H17 N O3 -","- C176 H136 N8 O24 -","8","1","","Martin Smrčina; Štěpán Vyskočil; Vladimír Hanuš; Miroslav Polášek; Vratislav Langer; Benjamin G. M. Chew; David B. Zax; Hugh Verrier; Kevin Harper; Thomas A. Claxton; Pavel Kočovský","The SN2 Reaction in the Solid State. An Unusual, BAl2 Aminolysis of an Ester Group in Crystalline (\±)-2-Amino-2'-hydroxy-3'-(methoxycarbonyl)- 1,1'-binaphthyl Elucidated by X-ray Diffraction and Isotopic Labeling. New Experimental Evidence for Linearity in SN2 Substitution","Journal of the American Chemical Society","1996","118","","487","488","10.1021/ja951920y","","","0.71069","MoKα","","0.3578","0.0424","","0.2354","0.0973","","","","0.916","1.006","1.006","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117102","15.52","0.002","21.394","0.004","22.86","0.004","90","","99.07","0.02","90","","7495","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H72 Au4 Cl2 O10 P4 S -","- C78 H72 Au4 Cl2 O10 P4 S -","- C312 H288 Au16 Cl8 O40 P16 S4 -","4","1","","José Vicente; M. Teresa Chicote; Rita Guerrero; Peter G. Jones","Synthesis of the First Complex with a Hypercoordinate Ylidic Carbon Atom. Crystal and Molecular Structure of [{Au(PPh3)}4CS(O)Me2](ClO4)2","Journal of the American Chemical Society","1996","118","","699","700","10.1021/ja953504j","","","0.71073","MoKα","","0.1034","0.0432","","0.0895","0.0766","","","","0.85","1.013","1.013","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117103","14.332","0.005","14.655","0.007","22.263","0.009","108.69","0.05","91.7","0.05","92.18","0.03","4422","3","103","","103","","","","","","","","","7","P -1","-P 1","2","","","","- C92 H92 B2 F8 Fe2 N12 O7 -","- C92 H74 B2 F8 Fe2 N12 O7 -","- C184 H148 B4 F16 Fe4 N24 O14 -","2","1","","Takaharu Ookubo; Hideki Sugimoto; Toshihiko Nagayama; Hideki Masuda; Takahisa Sato; Koji Tanaka; Yonezo Maeda; Hisashi Ōkawa; Yoshihito Hayashi; Akira Uehara; Masatatsu Suzuki","cis-μ-1,2-Peroxo Diiron Complex: Structure and Reversible Oxygenation","Journal of the American Chemical Society","1996","118","","701","702","10.1021/ja953705n","","","0.7107","MoKα","","","0.076","","","0.109","","","","","2.2","2.2","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117104","10.053","0.005","14.12","0.003","31.005","0.003","90","","90","","90","","4401","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H35 Cl N7 Ni O5 -","- C16 H35 Cl N7 Ni O5 -","- C128 H280 Cl8 N56 Ni8 O40 -","8","1","","Myunghyun Paik Suh; Kye Young Oh; Jae Woo Lee; Yeon Young Bae","Acetamide Coordination in a Nickel(I) Macrocyclic Complex: Synthesis, Properties, and X-ray Crystal Structure of a Five-Coordinate Nickel(I) Iminol Complex of 1,3,6,8,12,15-Hexaazatricyclo[13.3.1.18,12]icosane","Journal of the American Chemical Society","1996","118","","777","783","10.1021/ja953106g","","","0.71073","MoKα","","0.05","0.0447","","0.0983","0.0953","","","","1.104","1.111","1.111","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117105","9.815","0.01","11.45","0.009","20.686","0.024","95.41","0.08","99.84","0.09","111.22","0.07","2104","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H63 Cd I O9 Zr2 -","- C27 H63 Cd I O9 Zr2 -","- C54 H126 Cd2 I2 O18 Zr4 -","2","1","","Michael Veith; Sanjay Mathur; Volker Huch","Designed Synthesis and Molecular Structure of the First Heterotermetallic Alkoxide","Journal of the American Chemical Society","1996","118","","903","904","10.1021/ja953255z","","","0.71073","MoKα","","0.0542","0.047","","0.1396","0.13","","","","1.054","1.059","1.059","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117106","23.198","0.02","12.937","0.011","19.331","0.02","90","","97.3","0.08","90","","5754","9","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H168 Ba2 Cd2 O24 Zr4 -","- C72 Ba2 Cd2 O24 Zr4 -","- C144 Ba4 Cd4 O48 Zr8 -","2","0.5","","Michael Veith; Sanjay Mathur; Volker Huch","Designed Synthesis and Molecular Structure of the First Heterotermetallic Alkoxide","Journal of the American Chemical Society","1996","118","","903","904","10.1021/ja953255z","","","0.71073","MoKα","","0.0961","0.0772","","0.2433","0.2211","","","","1.07","1.1","1.1","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117107","17.108","0.005","15.575","0.004","17.236","0.004","90","","102.95","0.03","90","","4476","2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H74 Li4 N2 O4 Si2 -","- C38 H74 Li4 N2 O4 Si2 -","- C152 H296 Li16 N8 O16 Si8 -","4","1","","Klas Sorger; Paul von Ragué Schleyer; Dietmar Stalke","Dimeric [3,3-Dimethyl-2-(trimethylsilyl)cyclopropenyl]- lithium-Tetramethylethylenediamine: Distortion of the Cyclopropenyl Geometry Due to Strong Rehybridization at the Lithiated Carbon","Journal of the American Chemical Society","1996","118","","1086","1091","10.1021/ja9521280","","","0.71073","mokα","","0.059","0.0476","","0.1339","0.1207","","","","1.037","1.063","1.063","","","","","has coordinates,has disorder","134499","2020-10-21","18:00:00",""
"4117108","16.272","0.007","21.323","0.004","13.051","0.004","90","","90","","90","","4528","3","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H40 Li2 O3 -","- C22 H40 Li2 O3 -","- C176 H320 Li16 O24 -","8","2","","Klas Sorger; Paul von Ragué Schleyer; Dietmar Stalke","Dimeric [3,3-Dimethyl-2-(trimethylsilyl)cyclopropenyl]- lithium-Tetramethylethylenediamine: Distortion of the Cyclopropenyl Geometry Due to Strong Rehybridization at the Lithiated Carbon","Journal of the American Chemical Society","1996","118","","1086","1091","10.1021/ja9521280","","","0.71073","MoKα","","0.0771","0.0682","","0.1909","0.1781","","","","1.054","1.055","1.055","","","","","has coordinates,has disorder","178942","2020-10-21","18:00:00",""
"4117109","8.756","0.002","11.058","0.002","12.495","0.003","104.92","0.03","109.44","0.03","100.15","0.03","1055.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H40 Li2 N2 O -","- C20 H40 Li2 N2 O -","- C40 H80 Li4 N4 O2 -","2","1","","Klas Sorger; Paul von Ragué Schleyer; Dietmar Stalke","Dimeric [3,3-Dimethyl-2-(trimethylsilyl)cyclopropenyl]- lithium-Tetramethylethylenediamine: Distortion of the Cyclopropenyl Geometry Due to Strong Rehybridization at the Lithiated Carbon","Journal of the American Chemical Society","1996","118","","1086","1091","10.1021/ja9521280","","","0.71073","MoKa","","0.062","0.0517","","0.1749","0.163","","","","1.085","1.117","1.117","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117110","12.321","0.006","10.28","0.005","12.601","0.007","90","","112.79","0.05","90","","1471.4","1.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 O Ti -","- C17 H22 O Ti -","- C68 H88 O4 Ti4 -","4","1","","William E. Crowe; An T. Vu","Direct Synthesis of Fused, Bicyclic γ-Butyrolactones via Tandem Reductive Cyclization-Carbonylation of Tethered Enals and Enones","Journal of the American Chemical Society","1996","118","","1557","1558","10.1021/ja9535874","","","0.71073","MoKα","","0.0823","0.0657","","0.265","0.1678","","","","1.156","1.165","1.165","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117111","7.72","0.002","8.996","0.002","11.45","0.002","100.294","0.012","101.75","0.02","97.36","0.02","754.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 O2 Ti -","- C18 H22 O2 Ti -","- C36 H44 O4 Ti2 -","2","1","","William E. Crowe; An T. Vu","Direct Synthesis of Fused, Bicyclic γ-Butyrolactones via Tandem Reductive Cyclization-Carbonylation of Tethered Enals and Enones","Journal of the American Chemical Society","1996","118","","1557","1558","10.1021/ja9535874","","","0.71073","MoKα","","0.0359","0.0342","","0.0913","0.0896","","","","1.061","1.067","1.067","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117112","36.356","0.013","19.737","0.004","28.161","0.011","90","","129.07","0.02","90","","15688","10","243","2","243","2","","","","","","","","5","C 1 2 1","C 2y","5","L-Ala DPDPE","Tyr-cyclo[D-Pen-Ala-Phe-D-Pen]","","- C124 H202 N20 O48.5 S8 -","- C124 H164 N20 O49.025 S8 -","- C496 H656 N80 O196.1 S32 -","4","1","","Nathan Collins; Judith L. Flippen-Anderson; Ronald C. Haaseth; Jeffery R. Deschamps; Clifford George; Katalin Kövér; Victor J. Hruby","Conformational Determinants of Agonist versus Antagonist Properties of [d-Pen2,d-Pen5]Enkephalin (DPDPE) Analogs at Opioid Receptors. Comparison of X-ray Crystallographic Structure, Solution 1H NMR Data, and Molecular Dynamic Simulations of [l-Ala3]DPDPE and [d-Ala3]DPDPE","Journal of the American Chemical Society","1996","118","","2143","2152","10.1021/ja9531081","","","1.54178","CuKα","","0.1451","0.0983","","0.2865","0.2315","","","","1.098","1.157","1.157","","","","","has coordinates,has Fobs","178942","2020-10-21","18:00:00",""
"4117113","12.271","0.002","9.6","0.002","18.75","0.004","90","","103.56","0.02","90","","2147.2","0.8","243","2","243","2","","","","","","","","5","P 1 21 1","P 2yb","4","D-Ala DPDPE","Tyr-cyclo[D-Pen-D-Ala-Phe-D-Pen]","","- C31 H61 N5 O17 S2 -","- C31 H40 N5 O16.897 S2 -","- C62 H80 N10 O33.794 S4 -","2","1","","Nathan Collins; Judith L. Flippen-Anderson; Ronald C. Haaseth; Jeffery R. Deschamps; Clifford George; Katalin Kövér; Victor J. Hruby","Conformational Determinants of Agonist versus Antagonist Properties of [d-Pen2,d-Pen5]Enkephalin (DPDPE) Analogs at Opioid Receptors. Comparison of X-ray Crystallographic Structure, Solution 1H NMR Data, and Molecular Dynamic Simulations of [l-Ala3]DPDPE and [d-Ala3]DPDPE","Journal of the American Chemical Society","1996","118","","2143","2152","10.1021/ja9531081","","","1.54178","CuKα","","0.1241","0.09","","0.2442","0.1978","","","","1.109","1.088","1.088","","","","","has coordinates,has Fobs","178942","2020-10-21","18:00:00",""
"4117114","18.631","0.002","19.482","0.002","18.518","0.002","90","","90","","90","","6721.5","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Z-[L-(alphaMe)Val]8-OtBu","","","- C60 H104 N8 O11 -","- C60 H104 N8 O11 -","- C240 H416 N32 O44 -","4","1","","Claudio Toniolo; Alessandra Polese; Fernando Formaggio; Marco Crisma; Johan Kamphuis","Circular Dichroism Spectrum of a Peptide 310-Helix","Journal of the American Chemical Society","1996","118","","2744","2745","10.1021/ja9537383","","","0.7107","MoKα","","0.2693","0.0568","","0.1872","0.1399","","","","0.715","1.148","1.148","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117115","10.941","0.009","13.861","0.01","13.141","0.008","90","","99.89","0.05","90","","1963","2","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H47 N O6 -","- C47 H35 N O6 -","- C94 H70 N2 O12 -","2","1","","Yasushi Yokoyama; Soichi Uchida; Yayoi Yokoyama; Yoko Sugawara; Yukio Kurita","Diastereoselective Photochromism of an (R)-Binaphthol-Condensed Indolylfulgide","Journal of the American Chemical Society","1996","118","","3100","3107","10.1021/ja9523045","","","0.71069","MoKalpha","","0.0677","0.0494","","0.1634","0.1459","","","","1.018","1.04","1.04","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117116","19.573","0.003","12.454","0.004","15.066","0.003","90","","103.94","0.01","90","","3564.4","1.5","296.2","","296.2","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C19 H48 Cl3 N8 O18 P Zn2 -","- C19 H44 Cl3 N8 O18 P Zn2 -","- C76 H176 Cl12 N32 O72 P4 Zn8 -","4","1","","Tohru Koike; Masaki Inoue; Eiichi Kimura; Motoo Shiro","Novel Properties of Cooperative Dinuclear Zinc(II) Ions: The Selective Recognition of Phosphomonoesters and Their P-O Ester Bond Cleavage by a New Dinuclear Zinc(II) Cryptate","Journal of the American Chemical Society","1996","118","","3091","3099","10.1021/ja953413m","","","1.5418","CuKα","","","0.036","","","0.051","","","","","1.4","1.4","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4117117","15.037","0.005","13.862","0.005","15.78","0.004","90","","90.29","0.02","90","","3289.2","1.8","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H43 Cl3 N8 O13 Zn2 -","- C31 Cl3 N8 O17 Zn2 -","- C124 Cl12 N32 O68 Zn8 -","4","1","","Tohru Koike; Masaki Inoue; Eiichi Kimura; Motoo Shiro","Novel Properties of Cooperative Dinuclear Zinc(II) Ions: The Selective Recognition of Phosphomonoesters and Their P-O Ester Bond Cleavage by a New Dinuclear Zinc(II) Cryptate","Journal of the American Chemical Society","1996","118","","3091","3099","10.1021/ja953413m","","","1.5418","CuKα","","","0.109","","","0.111","","","","","5.27","5.27","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4117118","9.64","0.002","9.104","0.002","12.935","0.004","90","","103.27","","90","","1104.9","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 Br N O6 -","- C20 H30 Br N O6 -","- C40 H60 Br2 N2 O12 -","2","1","","Stephen F. Martin; Kenneth J. Barr","Vinylogous Mannich Reactions. The Asymmetric Total Synthesis of (+)-Croomine","Journal of the American Chemical Society","1996","118","","3299","3300","10.1021/ja9542146","","","0.71073","MoKα","","0.1197","0.0486","","0.0918","0.0733","","","","1.01","1.137","1.137","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117119","9.343","0.001","10.124","0.001","22.733","0.002","90","","90","","90","","2150.3","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Br N O6 -","- C20 H30 Br N O6 -","- C80 H120 Br4 N4 O24 -","4","1","","Stephen F. Martin; Kenneth J. Barr","Vinylogous Mannich Reactions. The Asymmetric Total Synthesis of (+)-Croomine","Journal of the American Chemical Society","1996","118","","3299","3300","10.1021/ja9542146","","","0.71073","MoKα","","0.1039","0.048","","0.0872","0.0725","","","","1.031","1.092","1.092","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117120","9.198","0.001","12.56","0.001","14.297","0.001","90","","90","","90","","1651.7","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Stephen F. Martin; Kenneth J. Barr","Vinylogous Mannich Reactions. The Asymmetric Total Synthesis of (+)-Croomine","Journal of the American Chemical Society","1996","118","","3299","3300","10.1021/ja9542146","","","0.71073","MoKα","","0.0964","0.0485","","0.1092","0.0888","","","","1.018","1.08","1.08","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117121","6.204","0.001","10.988","0.001","24.18","0.004","90","","90","","90","","1648.3","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Stephen F. Martin; Kenneth J. Barr","Vinylogous Mannich Reactions. The Asymmetric Total Synthesis of (+)-Croomine","Journal of the American Chemical Society","1996","118","","3299","3300","10.1021/ja9542146","","","0.71073","MoKα","","0.0942","0.0562","","0.1538","0.1256","","","","0.986","1.001","1.001","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117122","7.572","0.001","34.424","0.006","6.321","0.001","90","0","90","0","90","0","1647.6","0.4","293","","","","","","","","","","(+-)-1-phenylethylammonium a-methylcinnamate 1a-7b","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0548","","","0.0531","","","","","8.0509","8.0509","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117123","9.884","0.002","29.104","0.004","5.75","0.001","89.962","0.014","106.449","0.014","89.994","0.011","1586.4","0.5","293","","","","","","","","","","(+-)-1-phenylethylammonium p-chlorocinnamate 1a-7c","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H18 Cl N O2 -","- C17 H18 Cl N O2 -","- C68 H72 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0419","","","0.0429","","","","","7.6533","7.6533","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117124","14.645","0.004","15.402","0.005","6.142","0.002","90","0","90","0","90","0","1385.4","0.7","293","","","","","","","","","","(+-)-1-phenylethylammonium benzoate 1a-9a","4","P b n 21","P 2c -2ab","33","","","","- C15 H17 N O2 -","- C16 H16 N O2 -","- C64 H64 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.046","","","0.038","","","","","7.4424","7.4424","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117125","12.796","0.001","17.17","0.002","6.772","0.001","90","0","103.24","0.01","90","0","1448.3","0.3","293","","","","","","","","","","(+-)-1-phenylethylammonium o-chlorobenzoate 1a-9b","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cl N O2 -","- C15 H16 Cl N O2 -","- C60 H64 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0395","","","0.0403","","","","","9.4702","9.4702","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117126","19.838","0.006","6.356","0.002","7.032","0.002","90","0","90.137","0.025","90","0","886.7","0.5","293","","","","","","","","","","(+-)-1-phenylethylammonium p-t-butylbenzoate 1a-9d","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C38 H50 N2 O4 -","2","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.1095","","","0.1221","","","","","27.203","27.203","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117127","32.088","0.005","6.219","0.001","7.225","0.001","90","0","92.609","0.014","90","0","1440.3","0.4","293","","","","","","","","","","(+-)-1-phenylethylammonium m-chlorobenzoate 1a-9f","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H16 Cl N O2 -","- C15 H16 Cl N O2 -","- C60 H64 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0539","","","0.0554","","","","","12.915","12.915","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117128","24.116","0.004","6.056","0.001","9.856","0.001","90","0","100.261","0.012","90","0","1416.4","0.4","293","","","","","","","","","","(+-)-1-phenylethylammonium p-chlorobenzoate 1a-9g","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cl N O2 -","- C15 H16 Cl N O2 -","- C60 H64 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0597","","","0.0631","","","","","10.618","10.618","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117129","21.224","0.003","5.917","0.001","15.326","0.002","90","0","102.76","0.01","90","0","1877.1","0.5","293","","","","","","","","","","(+-)-1-phenylethylammonium 1,1-diphenylacetate 1a-10e","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0853","","","0.0792","","","","","15.764","15.764","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117130","14.901","0.002","18.377","0.002","5.97","0.001","90","0","90","0","90","0","1634.8","0.4","293","","","","","","","","","","(+-)-1-(2-methylphenyl)ethylammonium cinnamate 1b-7a","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0444","","","0.0452","","","","","10.536","10.536","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117131","10.541","0.001","26.326","0.003","5.831","0.001","90","0","90","0","90","0","1618.1","0.4","293","","","","","","","","","","(+-)-p-tolylethylammonium cinnamate 1c-7a","4","P b n 21","P 2c -2ab","33","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0347","","","0.0349","","","","","6.4965","6.4965","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117132","11.123","0.001","17.726","0.002","9.252","0.001","98.827","0.008","90.134","0.008","81.084","0.009","1780.4","0.3","293","","","","","","","","","","(+-)1-(1-naphthyl)ethylammonium cinnamate 3-7a","4","P -1","-P 1","2","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C84 H84 N4 O8 -","4","2","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0716","","","0.078","","","","","20.24","20.24","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117133","13.659","0.002","20.024","0.003","6.357","0.001","90","0","90","0","90","0","1738.7","0.5","293","","","","","","","","","","(R)-1-(1-naphthyl)ethylammonium phenylacetate 3-10b","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0374","","","0.034","","","","","6.1179","6.1179","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117134","22.352","0.005","6.672","0.002","13.488","0.004","90","0","105.563","0.019","90","0","1937.8","0.9","293","","","","","","","","","","(+-)-a-o-tolylbenzylammonium cinnamate 6-7a","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O2 -","- C23 H23 N O2 -","- C92 H92 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0725","","","0.0729","","","","","11.298","11.298","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117135","9.376","0.001","28.353","0.004","6.076","0.001","90","0","90","0","90","0","1615.2","0.4","293","","","","","","","","","","(R)-1-phenylethylammonium p-chlorocinnamate (R)-1a-7c","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl N O2 -","- C17 H18 Cl N O2 -","- C68 H72 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0546","","","0.0671","","","","","12.289","12.289","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117136","13.326","0.004","6.172","0.002","11.885","0.003","90","0","114.9","0.02","90","0","886.7","0.5","293","","","","","","","","","","(R)-1-phenylethylammonium (Z)-3-phenyl-2-pentenoate (R)-1a-8a","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O2 -","- C19 H21.4 N O2 -","- C38 H42.8 N2 O4 -","2","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0641","","","0.0575","","","","","9.7643","9.7643","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117137","7.182","0.001","32.302","0.005","6.256","0.002","90","0","90","0","90","0","1451.3","0.6","293","","","","","","","","","","(R)-1-phenylethylammonium m-chlorobenzoate (R)-1a-9f","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Cl N O2 -","- C15 H16 Cl N O2 -","- C60 H64 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0574","","","0.0652","","","","","12.902","12.902","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117138","10.089","0.001","23.117","0.002","5.973","0.001","90","","90","","90","","1393.1","0.3","293","","","","","","","","","","(R)-1-phenylethylammonium p-chlorobenzoate (R)-1a-9g","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Cl N O2 -","- C15 H16 Cl N O2 -","- C60 H64 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0492","","","0.0573","","","","","13.16","13.16","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117139","13.7394","0.0014","20.421","0.002","14.8567","0.0015","90","","99.119","0.008","90","","4115.7","0.7","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H47 Cl F6 Mo O2 P3 -","- C41 H47 Cl F6 Mo O2 P3 -","- C164 H188 Cl4 F24 Mo4 O8 P12 -","4","1","","James C. Fettinger; D. Webster Keogh; Rinaldo Poli","Stable Mononuclear, 17-Electron Molybdenum(III) Carbonyl Complexes. Synthesis, Structure, Thermal Decomposition, and Cl-Addition Reactions","Journal of the American Chemical Society","1996","118","","3617","3625","10.1021/ja9540738","","","0.71073","MoKα","","0.0648","0.0459","","0.1211","0.1077","","","","1.057","1.066","1.066","","","","","has coordinates,has disorder","178942","2020-10-21","18:00:00",""
"4117140","13.16","0.002","10.942","0.002","25.01","0.003","90","","95.225","0.01","90","","3586.4","1","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 Cl F7 Mo N2 P3 -","- C35 H35 Cl F7 Mo N2 P3 -","- C140 H140 Cl4 F28 Mo4 N8 P12 -","4","1","","James C. Fettinger; D. Webster Keogh; Rinaldo Poli","Stable Mononuclear, 17-Electron Molybdenum(III) Carbonyl Complexes. Synthesis, Structure, Thermal Decomposition, and Cl-Addition Reactions","Journal of the American Chemical Society","1996","118","","3617","3625","10.1021/ja9540738","","","0.71073","MoKα","","0.043","0.0411","","0.1198","0.1181","","","","1.098","1.115","1.115","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117141","15","0.01","13.53","0.01","19.95","0.01","90","","111.53","0.02","90","","3766","4","156","","156","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H17 Co -","- C76 H17 Co -","- C304 H68 Co4 -","4","1","","María-José Arce; Argimiro L. Viado; Yi-Zhong An; Saeed I. Khan; Yves Rubin","Triple Scission of a Six-Membered Ring on the Surface of C60 via Consecutive Pericyclic Reactions and Oxidative Cobalt Insertion","Journal of the American Chemical Society","1996","118","","3775","3776","10.1021/ja9601200","","","0.7107","MoKα","","","0.076","","","0.081","","","","","2.04","2.04","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117142","20.618","0.002","20.6184","","27.923","0.002","90","","90","","120","","10280","1.2","293","","293","","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C24 H108 Cl12 Cu4 N12 O8 P4 Pd6 -","- C144 Cl72 Cu24 N72 O48 P24 Pd36 -","- C144 Cl72 Cu24 N72 O48 P24 Pd36 -","","","","Takahiro Hosokawa; Minoru Takano; Shun-Ichi Murahashi","The First Isolation and Characterization of a Palladium-Copper Heterometallic Complex Bearing μ4-Oxo Atom Derived from Molecular Oxygen","Journal of the American Chemical Society","1996","118","","3990","3991","10.1021/ja953514k","","","0.7107","MoKalpha","","","0.051","","","0.037","","","","","2.35","2.35","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117143","17.675","0.003","9.932","0.006","18.457","0.006","90","","107.34","0.02","90","","3093","2","293","","293","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H72 Cl12 Cu2 N12 O4 P4 Pd4 -","- C48 H144 Cl24 Cu4 N24 O8 P8 Pd8 -","- C48 H144 Cl24 Cu4 N24 O8 P8 Pd8 -","","","","Takahiro Hosokawa; Minoru Takano; Shun-Ichi Murahashi","The First Isolation and Characterization of a Palladium-Copper Heterometallic Complex Bearing μ4-Oxo Atom Derived from Molecular Oxygen","Journal of the American Chemical Society","1996","118","","3990","3991","10.1021/ja953514k","","","0.7107","MoKalpha","","","0.08","","","0.097","","","","","4.2","4.2","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117144","5.8088","0.0003","17.976","0.002","18.213","0.002","90","0.009","90","0.006","90","0.007","1901.8","0.3","293","","293","","","","","","","","See Experimental","3","P 21 21 21","P 2ac 2ab","19","","1β-tert-butoxy-6-(E)-ethylidene-3aα,4α,5,6,7,8,9,9a-octahydro-9aβ-methyl -7-oxo-4β-cyclopentacyclooctenecarboxylic acid methyl ester","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Chao-Jun Li; Dong-Li Chen; Yue-Qi Lu; John X. Haberman; Joel T. Mague","Novel Carbocyle Enlargement in Aqueous Medium","Journal of the American Chemical Society","1996","118","","4216","4217","10.1021/ja960489p","","","0.71073","Mo-Kα,graphitemonochromated","","0.076","0.043","","","0.06","","","","","2.006","2.006","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117145","8.255","0.001","12.338","0.003","16.482","0.002","76.592","0.013","87.44","0.03","71.871","0.012","1551.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl2 N3 O7 P3 -","- C28 H28 Cl2 N3 O7 P3 -","- C56 H56 Cl4 N6 O14 P6 -","2","1","","Krystyna Brandt; Iwona Porwolik; Anna Olejnik; Robert A. Shaw; David B. Davies; Michael B. Hursthouse; Georgia D. Sykara","Regioselective Sodium Cation-Assisted Synthesis of the First Bis-Transannular Cyclotriphosphazatriene Derivatives of a Chiral Ligand Type","Journal of the American Chemical Society","1996","118","","4496","4497","10.1021/ja960201w","","","0.71069","MoKα","","0.0752","0.0477","","0.1136","0.1091","","","","0.841","1.048","1.048","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117146","11.11","0.004","11.74","0.002","11.823","0.002","84.64","0.02","79.9","0.02","77.981","0.011","1482.3","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl2 N3 O7 P3 -","- C28 H28 Cl2 N3 O7 P3 -","- C56 H56 Cl4 N6 O14 P6 -","2","1","","Krystyna Brandt; Iwona Porwolik; Anna Olejnik; Robert A. Shaw; David B. Davies; Michael B. Hursthouse; Georgia D. Sykara","Regioselective Sodium Cation-Assisted Synthesis of the First Bis-Transannular Cyclotriphosphazatriene Derivatives of a Chiral Ligand Type","Journal of the American Chemical Society","1996","118","","4496","4497","10.1021/ja960201w","","","0.71069","MoKα","","0.068","0.0591","","0.1567","0.1545","","","","1.056","1.174","1.174","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117147","12.571","0.004","10.579","0.004","15.212","0.004","90","","107.84","0.03","90","","1925.7","1.1","143","2","143","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C36 H32 Au2 Cl6 Fe P2 S -","- C36 H32 Au2 Cl6 Fe P2 S -","- C72 H64 Au4 Cl12 Fe2 P4 S2 -","2","0.5","","Fernando Canales; M. Concepción Gimeno; Antonio Laguna; Peter G. Jones","Aurophilicity at Sulfur Centers. Synthesis and Reactivity of the Complex [S(Au2dppf)]; Formation of Polynuclear Sulfur-Centered Complexes. Crystal Structures of [S(Au2dppf)].2CHCl3, [(μ-Au2dppf){S(Au2dppf)}2](OTf)2. 8CHCl3, and [S(AuPPh2Me)2(Au2dppf)](ClO4)2.3CH2Cl2","Journal of the American Chemical Society","1996","118","","4839","4845","10.1021/ja9517678","","","0.71073","MoKα","","0.0465","0.0404","","0.1147","0.1005","","","","1.072","1.063","1.063","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117148","15.177","0.003","18.408","0.004","27.894","0.008","88.83","0.02","84.46","0.02","67.78","0.02","7179","3","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C112 H92 Au6 Cl24 F6 Fe3 O6 P6 S4 -","- C112 H92 Au6 Cl24 F6 Fe3 O6 P6 S4 -","- C224 H184 Au12 Cl48 F12 Fe6 O12 P12 S8 -","2","1","","Fernando Canales; M. Concepción Gimeno; Antonio Laguna; Peter G. Jones","Aurophilicity at Sulfur Centers. Synthesis and Reactivity of the Complex [S(Au2dppf)]; Formation of Polynuclear Sulfur-Centered Complexes. Crystal Structures of [S(Au2dppf)].2CHCl3, [(μ-Au2dppf){S(Au2dppf)}2](OTf)2. 8CHCl3, and [S(AuPPh2Me)2(Au2dppf)](ClO4)2.3CH2Cl2","Journal of the American Chemical Society","1996","118","","4839","4845","10.1021/ja9517678","","","0.71073","MoKα","","0.1907","0.0786","","0.2178","0.1783","","","","0.865","1.13","1.13","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117149","13.727","0.002","15.952","0.003","17.763","0.002","71.738","0.012","73.264","0.014","75.96","0.02","3487.3","1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C63 H60 Au4 Cl8 Fe O8 P4 S -","- C63 H54 Au4 Cl8.02 Fe O8 P4 S -","- C126 H108 Au8 Cl16.04 Fe2 O16 P8 S2 -","2","1","","Fernando Canales; M. Concepción Gimeno; Antonio Laguna; Peter G. Jones","Aurophilicity at Sulfur Centers. Synthesis and Reactivity of the Complex [S(Au2dppf)]; Formation of Polynuclear Sulfur-Centered Complexes. Crystal Structures of [S(Au2dppf)].2CHCl3, [(μ-Au2dppf){S(Au2dppf)}2](OTf)2. 8CHCl3, and [S(AuPPh2Me)2(Au2dppf)](ClO4)2.3CH2Cl2","Journal of the American Chemical Society","1996","118","","4839","4845","10.1021/ja9517678","","","0.71073","MoKα","","0.1371","0.0768","","0.1945","0.157","","","","1.086","1.117","1.117","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117150","8.175","0.0009","8.3775","0.0007","16.256","0.002","90","","92.058","0.005","90","","1112.6","0.2","293","2","293","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","Technetium(ii) hexakis(acetonitrile) bis tetrafluoroborate","","- C12 H18 B2 F8 N6 Tc -","- C12 H18 B2 F8 N6 Tc -","- C24 H36 B4 F16 N12 Tc2 -","2","0.5","","F. Albert Cotton; Steven C. Haefner; Alfred P. Sattelberger","Metal-Metal Multiply-Bonded Complexes of Technetium. 4.1Photodissociation of the Tc\τbTc Triple Bond in [Tc2(CH3CN)10][BF4]4","Journal of the American Chemical Society","1996","118","","5486","5487","10.1021/ja9604727","","","0.71073","MoKα","","0.0584","0.0498","","0.1422","0.1345","","","","1.139","1.187","1.187","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117151","15.055","0.003","15.795","0.003","17.069","0.003","90","","115","0.03","90","","3678.6","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H32 Cl2 N4 Ni -","- C46 H30 Cl2 N4 Ni -","- C184 H120 Cl8 N16 Ni4 -","4","1","","Piotr J. Chmielewski; Lechosław Latos-Grażyński; Tadeusz Głowiak","Reactions of Nickel(II) 2-Aza-5,10,15,20-tetraphenyl-21- carbaporphyrin with Methyl Iodide. The First Structural Characterization of a Paramagnetic Organometallic Nickel(II) Complex","Journal of the American Chemical Society","1996","118","","5690","5701","10.1021/ja9527028","","","1.5418","CuKα","","0.0692","0.0691","","0.185","0.1849","","","","1.047","1.048","1.048","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117152","12.946","0.003","23.519","0.005","13.945","0.003","90","","93.2","0.03","90","","4239.3","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H39 I N4 Ni -","- C52 H35 I N4 Ni -","- C208 H140 I4 N16 Ni4 -","4","1","","Piotr J. Chmielewski; Lechosław Latos-Grażyński; Tadeusz Głowiak","Reactions of Nickel(II) 2-Aza-5,10,15,20-tetraphenyl-21- carbaporphyrin with Methyl Iodide. The First Structural Characterization of a Paramagnetic Organometallic Nickel(II) Complex","Journal of the American Chemical Society","1996","118","","5690","5701","10.1021/ja9527028","","","1.5418","CuKα","","0.0562","0.0562","","0.144","0.144","","","","1.08","1.08","1.08","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117153","16.349","0.004","10.226","0.002","13.352","0.004","90","","92.07","0.02","90","","2230.8","1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H35 Al Cl N3 Si3 -","- C13 H35 Al Cl N3 Si3 -","- C52 H140 Al4 Cl4 N12 Si12 -","4","1","","Norbert Emig; Régis Réau; Harald Krautscheid; Dieter Fenske; Guy Bertrand","Synthesis and Structure of the First Chiral Tetracoordinated Aluminum Cation","Journal of the American Chemical Society","1996","118","","5822","5823","10.1021/ja953700q","","","0.71069","MoKa","","0.036","0.0292","","0.083","0.0788","","","","1.033","1.071","1.071","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117154","9.992","0.004","11.97","0.004","13.16","0.005","82.62","0.03","68.94","0.03","89.17","0.03","1455.8","1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H36 Al2 Cl5 N3 Si3 -","- C13 H36 Al2 Cl5 N3 Si3 -","- C26 H72 Al4 Cl10 N6 Si6 -","2","1","","Norbert Emig; Régis Réau; Harald Krautscheid; Dieter Fenske; Guy Bertrand","Synthesis and Structure of the First Chiral Tetracoordinated Aluminum Cation","Journal of the American Chemical Society","1996","118","","5822","5823","10.1021/ja953700q","","","0.71069","MoKa","","0.0559","0.0374","","0.1026","0.0916","","","","1.034","1.06","1.06","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117155","9.113","0.003","9.226","0.002","16.011","0.003","91.81","0.02","91.31","0.02","106.72","0.03","1287.9","0.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H40 Li2 N4 -","- C24 H40 Li2 N4 -","- C48 H80 Li4 N8 -","2","1","","Hans J. Reich; Birgir Ö. Gudmundsson","Solution Structure of 2-[(Dimethylamino)methyl]phenyllithium1","Journal of the American Chemical Society","1996","118","","6074","6075","10.1021/ja960677f","","","1.54178","CuKα","","0.1388","0.0794","","0.2412","0.1913","","","","1.027","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117156","8.0115","0.0004","12.8872","0.0006","15.3184","0.0007","90","","90","","90","","1581.56","0.13","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N3 O3 -","- C16 H24 N3 O3 -","- C64 H96 N12 O12 -","4","1","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge Localization in a Dihydrazine Analogue of Tetramethyl-p-phenylenediamine Radical Cation","Journal of the American Chemical Society","1996","118","","6313","6314","10.1021/ja960500l","","","0.71073","MoKα","","0.0361","0.0336","","0.0862","0.0828","","","","1.073","1.052","1.052","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117157","6.5","0.0005","7.2299","0.0005","13.3764","0.001","94.301","0.002","99.039","0.002","105.083","0.002","594.98","0.08","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H42 N4 -","- C26 H42 N4 -","- C26 H42 N4 -","1","0.5","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge Localization in a Dihydrazine Analogue of Tetramethyl-p-phenylenediamine Radical Cation","Journal of the American Chemical Society","1996","118","","6313","6314","10.1021/ja960500l","","","0.71073","MoKα","","0.0524","0.045","","0.1226","0.1109","","","","1.058","1.033","1.033","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117158","14.8524","0.0002","13.9105","0.0003","40.8752","0.0002","90","","90","","90","","8445","0.2","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C50 H62 B N4 -","- C50 H62 B N4 -","- C400 H496 B8 N32 -","8","1","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge Localization in a Dihydrazine Analogue of Tetramethyl-p-phenylenediamine Radical Cation","Journal of the American Chemical Society","1996","118","","6313","6314","10.1021/ja960500l","","","0.71073","MoKα","","0.1097","0.0642","","0.1398","0.1133","","","","1.168","1.176","1.176","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117159","10.987","0.003","11.25","0.002","12.389","0.002","90","","90","","90","","1531.3","0.6","193","2","293","2","","","","","","","Ronald C. Newbold","5","P 21 21 21","P 2ac 2ab","19","OsO4-diamine complex","Osmium tetraoxide - (R,R)-trans-1,2-bispyrollidinecyclohexane complex","","- C14 H26 N2 O4 Os -","- C14 H26 N2 O4 Os -","- C56 H104 N8 O16 Os4 -","4","1","","E. J. Corey; Sepehr Sarshar; Mihai D. Azimioara; Ronald C. Newbold; Mark C. Noe","X-ray Crystal and NMR Structure of a Highly Reactive Bidentate 1,2-Diamine-OsO4 Complex, Formally a 20-Electron Outer Valence Shell Species. Mechanistic Implications for the 1,2-Diamine-Accelerated Dihydroxylation of Olefins by OsO4","Journal of the American Chemical Society","1996","118","","7851","7852","10.1021/ja960536d","","","0.71073","MoKα","","0.0534","0.0441","","0.1114","0.1041","","","","1.003","1.012","1.012","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117160","9.905","0.001","20.819","0.003","8.337","0.004","90","","90","","90","","1719.2","0.9","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 O2 S -","- C84 H64 O8 S4 -","- C84 H64 O8 S4 -","","","","Masami Sakamoto; Masaki Takahashi; Shin Moriizumi; Kentaro Yamaguchi; Tsutomu Fujita; Shoji Watanabe","Solid State Photochemistry: Absolute Asymmetric Photocyclization of an Achiral S-Arylo-Benzoylbenzothioate to an Optically Active Phthalide Involving a Novel Phenyl Migration","Journal of the American Chemical Society","1996","118","","8138","8139","10.1021/ja960823h","","","1.5418","CuKalpha","","","0.054","","","0.054","","","","","2.46","2.46","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117161","9.126","0.001","11.685","0.001","8.529","0.002","99.64","0.02","105.42","0.02","76.613","0.01","847.5","0.2","23","","23","","","","","","","","","4","P 1","P 1","1","","","","- C21 H16 O2 S -","- C42 H32 O4 S2 -","- C42 H32 O4 S2 -","","","","Masami Sakamoto; Masaki Takahashi; Shin Moriizumi; Kentaro Yamaguchi; Tsutomu Fujita; Shoji Watanabe","Solid State Photochemistry: Absolute Asymmetric Photocyclization of an Achiral S-Arylo-Benzoylbenzothioate to an Optically Active Phthalide Involving a Novel Phenyl Migration","Journal of the American Chemical Society","1996","118","","8138","8139","10.1021/ja960823h","","","1.5418","CuKalpha","","","0.087","","","0.101","","","","","8.58","8.58","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117162","7.381","0.007","21.298","0.012","8.414","0.01","90","","108.92","0.08","90","","1251","2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-4-[4-amino-(N-6-formyl-N-6-beta-ribofuranosyl)pyrimidin-5-yl]-5-methyl-2'- deoxycytidine","","- C20 H31 N7 O11 -","- C20 H31 N7 O11 -","- C40 H62 N14 O22 -","2","1","","Carole Saintomé; Pascale Clivio; Alain Favre; Jean-Louis Fourrey; Claude Riche","RNA Photolabeling Mechanistic Studies: X-ray Crystal Structure of the Photoproduct Formed between 4-Thiothymidine and Adenosine upon Near UV Irradiation","Journal of the American Chemical Society","1996","118","","8142","8143","10.1021/ja961329g","","","1.5418","CuKα","","","0.067","","","0.086","","","","","1.04","1.04","","","","","has coordinates","190331","2020-10-21","18:00:00",""
"4117163","8.4967","0.0006","20.73","0.002","15.2484","0.001","90","","90.277","0.006","90","","2685.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cp*2Cr2(B4H8)Fe(CO)3","","- C23 H38 B4 Cr2 Fe O3 -","- C23 H38 B4 Cr2 Fe O3 -","- C92 H152 B16 Cr8 Fe4 O12 -","4","1","","Hisako Hashimoto; Maoyu Shang; Thomas P. Fehlner","Clusters as Ligands. Coordination of an Electronically Unsaturated Chromaborane to an Iron Tricarbonyl Fragment","Journal of the American Chemical Society","1996","118","","8164","8165","10.1021/ja9616387","","","0.71073","MoKα","","0.0755","0.0508","","0.1254","0.1073","","","","1.086","1.088","1.088","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117164","14.755","0.009","24.965","0.01","19.58","0.01","90","","111.56","0.04","90","","6708","6","23","","23","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H54 Cl2 Mo2 N4 O4 P4 -","- C280 H208 Cl32 Mo8 N16 O16 P16 -","- C280 H208 Cl32 Mo8 N16 O16 P16 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.0615","","","0.0821","","","","","2.378","2.378","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117165","24.262","0.004","12.3","0.003","31.521","0.006","90","","112.86","0.01","90","","8668","3","23","","23","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C74 H64 Cl16 Mo2 N4 O4 P4 Pd2 -","- C304 H240 Cl80 Mo8 N16 O16 P16 Pd8 -","- C304 H240 Cl80 Mo8 N16 O16 P16 Pd8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.084","","","0.064","","","","","2.97","2.97","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117166","32.54","0.005","12.461","0.004","19.759","0.003","90","","104.25","0.01","90","","7765","3","23","","23","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C71 H58 Br4 Cl6 Mo2 N4 O4 P4 Pd2 -","- C304 H208 Br16 Cl64 Mo8 N16 O16 P16 Pd8 -","- C304 H208 Br16 Cl64 Mo8 N16 O16 P16 Pd8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.0678","","","0.0582","","","","","2.852","2.852","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117167","24.273","0.002","12.278","0.003","31.545","0.006","90","","112.87","0.01","90","","8662","3","23","","23","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C72 H60 Cl12 Mo2 N4 O4 P4 Pt2 -","- C288 H240 Cl48 Mo8 N16 O16 P16 Pt8 -","- C288 H240 Cl48 Mo8 N16 O16 P16 Pt8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.054","","","0.09","","","","","2.73","2.73","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117168","17.455","0.003","17.4548","","25.971","0.006","90","","90","","90","","7913","2","23","","23","","","","","","","","","9","I 41","I 4bw","80","","","","- C72 H60 Br2 Cl8 Mo2 N4 O4 P4 Pd2 -","- C288 H240 Br8 Cl32 Mo8 N16 O16 P16 Pd8 -","- C288 H240 Br8 Cl32 Mo8 N16 O16 P16 Pd8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.029","","","0.027","","","","","2.09","2.09","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117169","16.074","0.007","16.807","0.007","28.194","0.004","90","","94.97","0.02","90","","7588","5","23","","23","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C69 H54 Cl2 I2 Mo2 N4 O4 P4 Pd2 -","- C276 H216 Cl8 I8 Mo8 N16 O16 P16 Pd8 -","- C276 H216 Cl8 I8 Mo8 N16 O16 P16 Pd8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.068","","","0.084","","","","","5.3","5.3","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117170","17.407","0.002","17.4071","","25.798","0.003","90","","90","","90","","7816.9","1.3","23","","23","","","","","","","","","8","I 41","I 4bw","80","","","","- C72 H60 Cl10 Mo2 N4 O4 P4 Pt2 -","- C288 H208 Cl40 Mo8 N16 O16 P16 Pt8 -","- C288 H208 Cl40 Mo8 N16 O16 P16 Pt8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.028","","","0.031","","","","","1.1","1.1","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117171","16.077","0.003","16.592","0.003","27.861","0.002","90","","96.106","0.01","90","","7390","2","23","","23","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C69 H54 Br2 Cl2 Mo2 N4 O4 P4 Pt2 -","- C276 H216 Br8 Cl8 Mo8 N16 O16 P16 Pt8 -","- C276 H216 Br8 Cl8 Mo8 N16 O16 P16 Pt8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.053","","","0.069","","","","","1.82","1.82","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117172","16.137","0.003","16.815","0.003","28.274","0.001","90","","94.887","0.008","90","","7644","2","23","","23","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C69 H54 Cl2 I2 Mo2 N4 O4 P4 Pt2 -","- C280 H224 Cl16 I8 Mo8 N16 O16 P16 Pt8 -","- C280 H224 Cl16 I8 Mo8 N16 O16 P16 Pt8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.06","","","0.078","","","","","2.18","2.18","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117173","17.0389","0.0003","9.9887","0.0001","51.1596","0.0007","90","","91.352","0.001","90","","8704.8","0.2","198","2","198","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 O9 Ru3 S2 -","- C70 O9 Ru3 S2 -","- C560 O72 Ru24 S16 -","8","1","","Hsiu-Fu Hsu; John R. Shapley","Ru3(CO)9(μ3-η2,η2,η2-C60): A Cluster Face-Capping, Arene-Like Complex of C60","Journal of the American Chemical Society","1996","118","","9192","9193","10.1021/ja962077m","","","0.71073","MoKα","","0.107","0.0763","","0.1617","0.145","","","","1.194","1.25","1.25","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117174","19.092","0.003","19.716","0.003","21.55","0.003","90","","90","","90","","8112","2","293","2","293","2","","","","","","","Methanol/Dichlormethane","7","P b c a","-P 2ac 2ab","61","","Bis[Hydrotris(3-cumyl-5-methyl-pyrazol-1-yl)- borato-zink-hydroxid]-hydro-perchlorat","","- C39 H47 B Cl N6 O5 Zn -","- C39 H47 B Cl0.5 N6 O3 Zn -","- C312 H376 B8 Cl4 N48 O24 Zn8 -","8","1","","Michael Ruf; Karl Weis; Heinrich Vahrenkamp","Zn-O2H3-Zn: a Coordination Mode of the Hydrolytic Zinc-Aqua Function and a Possible Structural Motif for Oligozinc Enzymes","Journal of the American Chemical Society","1996","118","","9288","9294","10.1021/ja960629v","","","0.71073","MoKα","","0.1314","0.0557","","0.2134","0.1442","","","","1.056","1.011","1.011","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117175","15.068","0.001","15.601","0.001","17.734","0.001","99.57","0.007","105.19","0.008","113.43","0.007","3515.1","0.5","293","2","293","2","","","","","","","Methanol","7","P -1","-P 1","2","","Bis[Hydrotris(3-(3'-pyridyl)-5-methyl-pyrazole-1-yl)borato-zinc-hydroxide] hydroperchlorate","","- C57 H66 B2 Cl N18 O9.5 Zn2 -","- C57 H66 B2 Cl N18 O9.5 Zn2 -","- C114 H132 B4 Cl2 N36 O19 Zn4 -","2","1","","Michael Ruf; Karl Weis; Heinrich Vahrenkamp","Zn-O2H3-Zn: a Coordination Mode of the Hydrolytic Zinc-Aqua Function and a Possible Structural Motif for Oligozinc Enzymes","Journal of the American Chemical Society","1996","118","","9288","9294","10.1021/ja960629v","","","0.71073","MoKα","","0.2066","0.0678","","0.2651","0.1699","","","","1.065","1.037","1.037","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117176","16.431","0.0015","21.604","0.002","20.159","0.002","90","","97.55","0.008","90","","7093.9","1.2","293","2","293","2","","","","","","","Benzene-Ethanol-Dichlormethane","7","P 1 21/n 1","-P 2yn","14","Bis[Hydrotris(3-(4'-methyl-3'-pyridyl)-5-methyl-pyrazol-1-yl)borato -zinc-hydroxide]hydroperchlorate","","","- C62 H75 B2 Cl N18 O9 Zn2 -","- C62 H75 B2 Cl N18 O9 Zn2 -","- C248 H300 B8 Cl4 N72 O36 Zn8 -","4","1","","Michael Ruf; Karl Weis; Heinrich Vahrenkamp","Zn-O2H3-Zn: a Coordination Mode of the Hydrolytic Zinc-Aqua Function and a Possible Structural Motif for Oligozinc Enzymes","Journal of the American Chemical Society","1996","118","","9288","9294","10.1021/ja960629v","","","0.71073","MoKα","","0.2103","0.0804","","0.3166","0.2077","","","","1.068","1.083","1.083","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117177","8.211","0.002","8.211","0.002","58.657","0.013","90","","90","","90","","3954.7","1.6","198","2","198","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C176 H232 N8 O32 -","8","1","","Robert M. Coates; Zhanqi Ho; Michael Klobus; Scott R. Wilson","Stereochemistry and Reactions of Presilphiperfolanol: A Branch Point Marker in Triquinane Sesquiterpene Biogenesis","Journal of the American Chemical Society","1996","118","","9249","9254","10.1021/ja961582g","","","0.71073","MoKα","","0.2111","0.1243","","0.4414","0.3297","","","","1.101","1.198","1.198","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117178","7.093","0.001","9.897","0.001","13.79","0.001","86.99","0.01","85.97","0.01","79.57","0.01","948.92","0.18","295.2","","295.2","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 Co2 O7 -","- C17 Co2 O7 -","- C34 Co4 O14 -","2","1","","Judit Sóvágó; M. Gary Newton; Evgenia A. Mushina; Ferenc Ungváry","Intermediate Complexes in the Octacarbonyl Dicobalt-Initiated Living Polymerization of 3-Methyl-1,2-butadiene","Journal of the American Chemical Society","1996","118","","9589","9596","10.1021/ja9542404","","","1.5418","CuKalpha","","","0.0698","","","0.0812","","","","","6.078","6.078","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117179","17.732","0.001","7.0943","0.0007","20.284","0.003","90","","109.246","0.008","90","","2409","0.5","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 Co2 O7 -","- C22 H24 Co2 O7 -","- C88 H96 Co8 O28 -","4","1","","Judit Sóvágó; M. Gary Newton; Evgenia A. Mushina; Ferenc Ungváry","Intermediate Complexes in the Octacarbonyl Dicobalt-Initiated Living Polymerization of 3-Methyl-1,2-butadiene","Journal of the American Chemical Society","1996","118","","9589","9596","10.1021/ja9542404","","","1.5418","CuKalpha","","","0.0447","","","0.0448","","","","","2.827","2.827","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117180","12.566","0.004","14.312","0.002","19.365","0.005","90","","102.64","0.01","90","","3398.3","1.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sodium ion complexed cucurbituril","","","- C36 H82 N24 Na4 O43 S2 -","- C36 H68 N24 Na4 O43 S2 -","- C72 H136 N48 Na8 O86 S4 -","2","0.5","","You-Moon Jeon; Jaheon Kim; Dongmok Whang; Kimoon Kim","Molecular Container Assembly Capable of Controlling Binding and Release of Its Guest Molecules: Reversible Encapsulation of Organic Molecules in Sodium Ion Complexed Cucurbituril","Journal of the American Chemical Society","1996","118","","9790","9791","10.1021/ja962071x","","","0.71073","MoKα","","0.0762","0.0649","","0.1872","0.178","","","","1.095","1.161","1.161","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117181","12.592","0.005","14.268","0.001","19.428","0.008","90","","102.6","0.02","90","","3406","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sodium ion complexed cucurbituril","","","- C40 H84 N24 Na4 O41 S2 -","- C40 H68 N24 Na4 O41 S2 -","- C80 H136 N48 Na8 O82 S4 -","2","0.5","","You-Moon Jeon; Jaheon Kim; Dongmok Whang; Kimoon Kim","Molecular Container Assembly Capable of Controlling Binding and Release of Its Guest Molecules: Reversible Encapsulation of Organic Molecules in Sodium Ion Complexed Cucurbituril","Journal of the American Chemical Society","1996","118","","9790","9791","10.1021/ja962071x","","","0.71073","MoKα","","0.0852","0.0664","","0.1616","0.1515","","","","1.132","1.227","1.227","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117182","10.988","0.003","21.98","0.005","22.108","0.005","110.05","0.01","101.77","0.02","92.94","0.01","4868","2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H69 N O5.5 P -","- C52 H68 N O5.5 P -","- C208 H272 N4 O22 P4 -","4","2","","Musa A. Said; Melanie Pülm; Regine Herbst-Irmer; Kumara K. C. Swamy","Bi- and Tricyclic Penta- and Hexacoordinated Phosphoranes with Varying Ring Sizes: Synthesis, Structures, and Reactivity","Journal of the American Chemical Society","1996","118","","9841","9849","10.1021/ja960554v","","","0.71073","MoKa","","0.1236","0.0732","","0.2256","0.1768","","","","1.02","1.048","1.048","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117183","10.582","0.001","27.9","0.003","9.255","0.001","90","","106.57","0.01","90","","2619","0.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 Cl2 N O5 P -","- C29 H26 Cl2 N O5 P -","- C116 H104 Cl8 N4 O20 P4 -","4","1","","Musa A. Said; Melanie Pülm; Regine Herbst-Irmer; Kumara K. C. Swamy","Bi- and Tricyclic Penta- and Hexacoordinated Phosphoranes with Varying Ring Sizes: Synthesis, Structures, and Reactivity","Journal of the American Chemical Society","1996","118","","9841","9849","10.1021/ja960554v","","","0.71073","MoKα","","0.0599","0.042","","0.1011","0.0917","","","","1.019","1.058","1.058","","","","","has coordinates,has disorder","178942","2020-10-21","18:00:00",""
"4117184","17.463","0.005","12.558","0.002","30.426","0.007","90","","90","","90","","6672","3","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H36 Cl2 N O5 P -","- C36 H36 Cl2 N O5 P -","- C288 H288 Cl16 N8 O40 P8 -","8","2","","Musa A. Said; Melanie Pülm; Regine Herbst-Irmer; Kumara K. C. Swamy","Bi- and Tricyclic Penta- and Hexacoordinated Phosphoranes with Varying Ring Sizes: Synthesis, Structures, and Reactivity","Journal of the American Chemical Society","1996","118","","9841","9849","10.1021/ja960554v","","","0.71073","MoKa","","0.0619","0.0461","","0.1141","0.0978","","","","1.069","1.045","1.045","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117185","36.021","0.002","36.021","0.002","10.646","0.002","90","","90","","120","","11963","2","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33.67 H23.67 N O5.17 P -","- C33.68 H23.7 N O5.17 P -","- C606.24 H426.6 N18 O93.06 P18 -","18","1","","Musa A. Said; Melanie Pülm; Regine Herbst-Irmer; Kumara K. C. Swamy","Bi- and Tricyclic Penta- and Hexacoordinated Phosphoranes with Varying Ring Sizes: Synthesis, Structures, and Reactivity","Journal of the American Chemical Society","1996","118","","9841","9849","10.1021/ja960554v","","","0.71073","MoKα","","0.0655","0.041","","0.0989","0.0889","","","","1.03","1.099","1.099","","","","","has coordinates,has disorder","178942","2020-10-21","18:00:00",""
"4117186","9.1536","0.0006","11.4395","0.0008","17.4905","0.0012","94.316","0.001","91.129","0.001","102.764","0.001","1779.9","0.2","123","","123","2","","","","","","","Crystal grown by electrocrystallization","5","P -1","-P 1","2","Bis(ethylenedithio)tetrathiafulvalenium 1-pentafluorothio-2,2-difluoroethane-2-sulfonate (2:1)","","","- C22 H18 F7 O3 S18 -","- C22 H18 F7 O3 S18 -","- C44 H36 F14 O6 S36 -","2","1","","Urs Geiser; John A. Schlueter; H. Hau Wang; Aravinda M. Kini; Jack M. Williams; Paul P. Sche; Halina I. Zakowicz; Michael L. VanZile; James D. Dudek; Paul G. Nixon; Rolf W. Winter; Gary L. Gard; J. Ren; M.-H. Whangbo","Superconductivity at 5.2 K in an Electron Donor Radical Salt of Bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) with the Novel Polyfluorinated Organic Anion SF~5~CH~2~CF~2~SO~3~^-^","Journal of the American Chemical Society","1996","118","","9996","9997","10.1021/ja962188l","","","0.71073","MoKα","","","0.046","","","0.045","","","","","1.635","1.635","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117187","9.523","0.001","7.05","0.001","13.747","0.002","90","","96.73","0.01","90","","916.6","0.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H14 N2 O3 -","- C7 H14 N2 O3 -","- C28 H56 N8 O12 -","4","1","","Christer B. Aakeröy; Deirdre P. Hughes; Mark Nieuwenhuyzen","The Oxamate Anion: A Flexible Building Block of Hydrogen-Bonded Architectures for Crystal Engineering","Journal of the American Chemical Society","1996","118","","10134","10140","10.1021/ja953296v","","","0.71073","MoKα","","0.0434","0.0347","","0.0925","0.0863","","","","1.05","1.07","1.07","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117188","10.206","0.006","7.598","0.005","19.784","0.018","90","","94.86","0.05","90","","1528.6","1.9","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N7 O7 -","- C12 H13 N7 O7 -","- C48 H52 N28 O28 -","4","1","","Christer B. Aakeröy; Deirdre P. Hughes; Mark Nieuwenhuyzen","The Oxamate Anion: A Flexible Building Block of Hydrogen-Bonded Architectures for Crystal Engineering","Journal of the American Chemical Society","1996","118","","10134","10140","10.1021/ja953296v","","","0.71073","MoKα","","0.0646","0.042","","0.1117","0.0994","","","","1.057","1.101","1.101","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117189","6.162","0.003","12.801","0.002","8.777","0.001","90","","96.61","","90","","687.7","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N3 O3 -","- C5 H7 N3 O3 -","- C20 H28 N12 O12 -","4","1","","Christer B. Aakeröy; Deirdre P. Hughes; Mark Nieuwenhuyzen","The Oxamate Anion: A Flexible Building Block of Hydrogen-Bonded Architectures for Crystal Engineering","Journal of the American Chemical Society","1996","118","","10134","10140","10.1021/ja953296v","","","0.71073","MoKα","","0.1483","0.077","","0.2162","0.1717","","","","1.035","1.109","1.109","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117190","15.674","0.001","12.129","0.001","11.429","0.002","90","","92.82","0.01","90","","2170.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Cl N2 O3 -","- C9 H11 Cl N2 O3 -","- C72 H88 Cl8 N16 O24 -","8","2","","Christer B. Aakeröy; Deirdre P. Hughes; Mark Nieuwenhuyzen","The Oxamate Anion: A Flexible Building Block of Hydrogen-Bonded Architectures for Crystal Engineering","Journal of the American Chemical Society","1996","118","","10134","10140","10.1021/ja953296v","","","0.71073","MoKα","","0.0903","0.0471","","0.1171","0.0972","","","","1.054","1.119","1.119","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117191","7.0764","0.0011","8.0669","0.0013","24.681","0.004","90","","90","","90","","1408.9","0.4","198","2","198","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-deoxy-7-hydroxymethyl-7-deazaadenosine","","","- C12 H20 N4 O6 -","- C12 H20 N4 O6 -","- C48 H80 N16 O24 -","4","1","","Jason K. Rockhill; Scott R. Wilson; Richard I. Gumport","2'-Deoxy-7-(hydroxymethyl)-7-deazaadenosine: A New Analogue to Model Structural Water in the Major Groove of DNA","Journal of the American Chemical Society","1996","118","","10065","10068","10.1021/ja961540s","","","0.71073","MoKα","","0.104","0.0739","","0.2016","0.175","","","","1.168","1.18","1.18","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117192","10.607","0.002","8.143","0.004","38.89","0.006","90","","96.14","0.01","90","","3339.8","1.8","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 Au2 O4 P2 -","- C34 H38 Au2 O4 P2 -","- C136 H152 Au8 O16 P8 -","4","1","","Martin A. Bennett; Suresh K. Bhargava; David C. R. Hockless; Lee L. Welling; Anthony C. Willis","Dinuclear Cycloaurated Complexes Containing Bridging (2-Diphenylphosphino)phenylphosphine and (2-Diethylphosphino)phenylphosphine, C6H4PR2 (R = Ph, Et). Carbon-Carbon Bond Formation by Reductive Elimination at a Gold(II)-Gold(II) Center","Journal of the American Chemical Society","1996","118","","10469","10478","10.1021/ja961511h","","","1.5418","CopperKα","","0.072","0.043","","0.068","0.059","","","","1.256","1.343","1.343","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117193","15.984","0.003","9.064","0.004","18.047","0.003","90","","90","","90","","2614.6","1.3","296.2","","296.2","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H28 Au2 I2 P2 -","- C20 H28 Au2 I2 P2 -","- C80 H112 Au8 I8 P8 -","4","1","","Martin A. Bennett; Suresh K. Bhargava; David C. R. Hockless; Lee L. Welling; Anthony C. Willis","Dinuclear Cycloaurated Complexes Containing Bridging (2-Diphenylphosphino)phenylphosphine and (2-Diethylphosphino)phenylphosphine, C6H4PR2 (R = Ph, Et). Carbon-Carbon Bond Formation by Reductive Elimination at a Gold(II)-Gold(II) Center","Journal of the American Chemical Society","1996","118","","10469","10478","10.1021/ja961511h","","","0.7107","MoKalpha","","","0.0337","","","0.0207","","","","","1.749","1.749","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117194","15.131","0.003","16.406","0.003","15.683","0.004","90","","90","","90","","3893.1","1.4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Au I2 P -","- C18 H14 Au I2 P -","- C144 H112 Au8 I16 P8 -","8","1","","Martin A. Bennett; Suresh K. Bhargava; David C. R. Hockless; Lee L. Welling; Anthony C. Willis","Dinuclear Cycloaurated Complexes Containing Bridging (2-Diphenylphosphino)phenylphosphine and (2-Diethylphosphino)phenylphosphine, C6H4PR2 (R = Ph, Et). Carbon-Carbon Bond Formation by Reductive Elimination at a Gold(II)-Gold(II) Center","Journal of the American Chemical Society","1996","118","","10469","10478","10.1021/ja961511h","","","0.71069","MolybdenumKα","","0.111","0.034","","0.052","0.046","","","","1.168","1.438","1.438","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117195","18.984","0.003","18.984","","36.256","0.005","90","","90","","120","","11316","2","294.2","","294.2","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C60 H96 In N11 O24 P6 -","- C60 H90 In0.167 N9.666 O24 P6 -","- C360 H540 In1.002 N57.996 O144 P36 -","6","0.166667","","Lowe, Mark P.; Rettig, Steven J.; Orvig, Chris","Highly Symmetric Group 13 Metal-Phosphinato Complexes: Multinuclear NMR (27Al,31P,71Ga) Determination of Stability Constants at Low pH","Journal of the American Chemical Society","1996","118","43","10446","10456","10.1021/ja961633+","","","1.5418","CuKα","","","0.0404","","","0.0386","","","","","1.69","1.69","","","","","has coordinates","270163","2021-10-29","12:05:45",""
"4117196","8.76","0.002","10.262","0.003","10.238","0.003","90","","100.15","0.02","90","","905.9","0.4","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N S -","- C21 H23 N S -","- C42 H46 N2 S2 -","2","1","","Masami Sakamoto; Masaki Takahashi; Kenji Kamiya; Kentaro Yamaguchi; Tsutomu Fujita; Shoji Watanabe","Crystal-to-Crystal Solid-State Photochemistry: Absolute Asymmetric β-Thiolactam Synthesis from an Achiral α,β-Unsaturated Thioamide","Journal of the American Chemical Society","1996","118","","10664","10665","10.1021/ja961878m","","","1.5418","CuKα","","","0.0627","","","0.0571","","","","","4.123","4.123","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117197","10.366","0.001","10.3659","","17.133","0.003","90","","90","","90","","1841","0.4","296.2","","296.2","","","","","","","","","4","P 43","P 4cw","78","","","","- C21 H23 N S -","- C21 H23 N S -","- C84 H92 N4 S4 -","4","1","","Masami Sakamoto; Masaki Takahashi; Kenji Kamiya; Kentaro Yamaguchi; Tsutomu Fujita; Shoji Watanabe","Crystal-to-Crystal Solid-State Photochemistry: Absolute Asymmetric β-Thiolactam Synthesis from an Achiral α,β-Unsaturated Thioamide","Journal of the American Chemical Society","1996","118","","10664","10665","10.1021/ja961878m","","","1.5418","CuKα","","","0.0516","","","0.0706","","","","","2.754","2.754","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117198","9.188","0.001","12.244","0.004","12.707","0.002","63.23","0.02","72.61","0.01","69.03","0.02","1175.4","0.5","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 O6 W -","- C27 H21 O6 W -","- C54 H42 O12 W2 -","2","1","","Rudolf Aumann; Adam G. Meyer; Roland Fröhlich","Steroid-Like Ring Skeletons by Cyclohexadiene Annulation to Enamines with Alkynylcarbene Complexes of Chromium and Tungsten via Pyran-2-ylidene Complexes","Journal of the American Chemical Society","1996","118","","10853","10861","10.1021/ja961020x","","","0.71073","MoKα","","0.0783","0.0553","","0.1472","0.1394","","","","1.027","1.085","1.085","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117199","8.987","0.001","9.876","0.001","13.434","0.001","81.39","0.01","75.84","0.01","71.32","0.01","1091.9","0.2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H31 N O -","- C28 H31 N O -","- C56 H62 N2 O2 -","2","1","","Rudolf Aumann; Adam G. Meyer; Roland Fröhlich","Steroid-Like Ring Skeletons by Cyclohexadiene Annulation to Enamines with Alkynylcarbene Complexes of Chromium and Tungsten via Pyran-2-ylidene Complexes","Journal of the American Chemical Society","1996","118","","10853","10861","10.1021/ja961020x","","","1.54178","CuKα","","0.053","0.0462","","0.1354","0.1272","","","","1.028","1.042","1.042","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117200","28.605","0.002","28.605","0.002","9.969","0.001","90","","90","","90","","8157.1","1.1","130","2","130","2","","","","","","","synthetic","5","I 41/a :2","-I 4ad","88","H~2~F~20~DPP","5,10,15,20-tetrakis-(pentafluorophenyl)-2,3,7,8,12,13,17,18-octaphenyl- porphyrin","","- C96 H50 Cl8 F20 N4 -","- C96 H50 Cl8 F20 N4 -","- C384 H200 Cl32 F80 N16 -","4","0.25","","Daniel J. Nurco; Craig J. Medforth; Timothy P. Forsyth; Marilyn M. Olmstead; Kevin M. Smith","Conformational Flexibility in Dodecasubstituted Porphyrins","Journal of the American Chemical Society","1996","118","","10918","10919","10.1021/ja962164e","","","1.54178","CuKα","","0.0461","0.0396","","0.1169","0.1088","","","","0.727","0.741","0.741","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117201","16.629","0.001","8.721","0.001","25.7","0.003","90","","105.59","0.01","90","","3589.9","0.6","130","2","130","2","","","","","","","synthetic","4","P 1 21/c 1","-P 2ybc","14","H~2~F~28~DPP","5,10,15,20-tetrakis-(pentafluorophenyl)-2,3,7,8,12,13,17,18-octakis-(4- fluorophenyl)-porphyrin","","- C92 H34 F28 N4 -","- C92 H34 F28 N4 -","- C184 H68 F56 N8 -","2","0.5","","Daniel J. Nurco; Craig J. Medforth; Timothy P. Forsyth; Marilyn M. Olmstead; Kevin M. Smith","Conformational Flexibility in Dodecasubstituted Porphyrins","Journal of the American Chemical Society","1996","118","","10918","10919","10.1021/ja962164e","","","1.54178","CuKα","","0.0985","0.0554","","0.1087","0.0925","","","","1.063","1.145","1.145","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117202","24.394","0.002","24.394","0.002","8.659","0.0011","90","","90","","90","","5152.7","0.9","130","2","130","2","","","","","","","synthetic","5","P 42/n m c :2","-P 4ac 2a","137","Ni(II)F~28~DPP","5,10,15,20-tetrakis-(pentafluorophenyl)-2,3,7,8,12,13,17,18-octakis-(4- fluorophenyl)-porphinato nickel(II)","","- C122 H102 F28 N4 Ni -","- C127.28 H32 F28 N4 Ni -","- C254.56 H64 F56 N8 Ni2 -","2","0.125","","Daniel J. Nurco; Craig J. Medforth; Timothy P. Forsyth; Marilyn M. Olmstead; Kevin M. Smith","Conformational Flexibility in Dodecasubstituted Porphyrins","Journal of the American Chemical Society","1996","118","","10918","10919","10.1021/ja962164e","","","1.54178","CuKα","","0.0688","0.0538","","0.1562","0.1435","","","","0.914","0.95","0.95","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117203","40.95","0.005","40.95","0.005","40.95","0.005","90","","90","","90","","68669","15","130","2","130","2","","","","","","","synthetic","5","F -4 3 c","F -4a 2 3","219","Ni(II) DPP","Ni(II) 2,3,5,7,8,10,12,13,15,17,18,20-dodecaphenylporphyrin","","- C127.9 H130.9 Cl2.6 N4 Ni -","- C129.813 H60 Cl2.52 N4 Ni -","- C3115.52 H1440 Cl60.48 N96 Ni24 -","24","0.25","","Daniel J. Nurco; Craig J. Medforth; Timothy P. Forsyth; Marilyn M. Olmstead; Kevin M. Smith","Conformational Flexibility in Dodecasubstituted Porphyrins","Journal of the American Chemical Society","1996","118","","10918","10919","10.1021/ja962164e","","","1.54178","CuKα","","0.1102","0.0891","","0.2883","0.225","","","","1.026","1.041","1.041","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117204","19.369","0.007","13.645","0.005","18.056","0.003","90","","98.83","0.02","90","","4715","3","137.2","","137.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H60 P2 Pt Sn2 -","- C48 H60 P2 Pt0.5 Sn2 -","- C192 H240 P8 Pt2 Sn8 -","4","0.5","","Yasushi Obora; Yasushi Tsuji; Kayo Nishiyama; Masahiro Ebihara; Takashi Kawamura","Structure and Fluxional Behavior of cis-Bis(stannyl)bis(phosphine)platinum: Oxidative Addition of Organodistannane to Platinum(0) Complex","Journal of the American Chemical Society","1996","118","","10922","10923","10.1021/ja9626392","","","0.7107","MoKα","","","0.029","","","0.027","","","","","1.73","1.73","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117205","5.388","0.001","16.063","0.003","47.049","0.009","90","","90.01","0.03","90","","4072","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-9-(10-Bromoanthracenyl)-ethanediol","","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C192 H156 Br12 O24 -","12","6","","E. J. Corey; Mark C. Noe","A Critical Analysis of the Mechanistic Basis of Enantioselectivity in the Bis-Cinchona Alkaloid Catalyzed Dihydroxylation of Olefins","Journal of the American Chemical Society","1996","118","","11038","11053","10.1021/ja961233m","","","0.71073","MoKα","","0.2887","0.1058","","0.3475","0.2131","","","","1.036","1.253","1.253","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117206","14.597","0.002","20.56","0.007","22.004","0.003","90","","90","","90","","6604","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Dihydroxylation product of 14-Bromo 7","","","- C20 H15 Br O2 -","- C20 H15 Br O2 -","- C320 H240 Br16 O32 -","16","4","","E. J. Corey; Mark C. Noe","A Critical Analysis of the Mechanistic Basis of Enantioselectivity in the Bis-Cinchona Alkaloid Catalyzed Dihydroxylation of Olefins","Journal of the American Chemical Society","1996","118","","11038","11053","10.1021/ja961233m","","","0.71073","MoKα","","0.1544","0.0968","","0.2688","0.2248","","","","1.027","1.093","1.093","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117207","8.3839","0.0011","12.1229","0.0014","18.411","0.002","90","","91.233","0.009","90","","1870.8","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-Bromobenzoate of Asymmetric Dihydroxylation Product from Dihydro-fluroanthene","","","- C23 H17 Br O3 -","- C23 H17 Br O3 -","- C92 H68 Br4 O12 -","4","2","","E. J. Corey; Mark C. Noe","A Critical Analysis of the Mechanistic Basis of Enantioselectivity in the Bis-Cinchona Alkaloid Catalyzed Dihydroxylation of Olefins","Journal of the American Chemical Society","1996","118","","11038","11053","10.1021/ja961233m","","","0.71073","MoKα","","0.1125","0.0555","","0.1319","0.1078","","","","1.007","1.066","1.066","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117208","29.999","0.016","13.163","0.009","30.994","0.025","90","","108.83","0.04","90","","11584","14","150","0.2","150","0.2","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C153.12 H214.32 Cl4 N4 Na6 Ni16 O97.04 -","- C153.12 H212.32 Cl4 N4 Na6 Ni16 O97.6 -","- C306.24 H424.64 Cl8 N8 Na12 Ni32 O195.2 -","2","0.5","","Brechin, Euan K.; Gould, Robert O.; Harris, Steven G.; Parsons, Simon; Winpenny, Richard E. P.","Four Cubes and An Octahedron: A Nickel-Sodium Supracage Assembly","Journal of the American Chemical Society","1996","118","45","11293","11294","10.1021/ja962356+","","","1.54184","CuKα","","0.1617","0.0917","","0.3282","0.2267","","","","1.039","1.093","1.093","","","","","has coordinates,has disorder","270164","2021-10-29","12:11:40",""
"4117209","9.384","0.002","12.768","0.003","28.086","0.005","90","","90","","90","","3365.1","1.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H47 Br O6 -","- C35 H47 Br O6 -","- C140 H188 Br4 O24 -","4","1","","Ruggero Curci; Antonia Detomaso; Maria E. Lattanzio; Gene B. Carpenter","Oxidation of Natural Targets by Dioxiranes. 4.1High Stereo- and Regioselective Conversion of Vitamin D2 to Its (all-R) Tetraepoxide and C-25 Hydroxy Derivative","Journal of the American Chemical Society","1996","118","","11089","11092","10.1021/ja9626300","","","0.71073","MoKa","","0.1727","0.0625","","0.1858","0.1486","","","","0.809","1.149","1.149","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117210","13.69","0.006","13.69","0.006","24.464","0.009","90","","90","","90","","4585","3","296","2","296","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C43 H32 F12 N8 O4 P2 Ru2 -","- C44 H32 F36 N8 O4 P2 Ru2 -","- C176 H128 F144 N32 O16 P8 Ru8 -","4","0.5","","Dorothy H. Gibson; Yan Ding; Bradley A. Sleadd; Jaime O. Franco; John F. Richardson; Mark S. Mashuta","Photoassistance in Reactions of the cis- (Bis(2,2'-bipyridyl))(carbonyl)(formyl)ruthenium(II) Cation with Protic Reagents","Journal of the American Chemical Society","1996","118","","11984","11985","10.1021/ja962168j","","","0.7107","MoKα","","","0.062","","","0.062","","","","","2.7","2.7","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117211","14.908","0.004","25.367","0.006","5.457","0.003","90","","90","","90","","2063.7","1.4","293.2","","293.2","","","","","","","","Synthesis in H. Koshima's laboratory","4","P 21 21 21","P 2ac 2ab","19","Chiral two-molecule crystal of acridine and diphenylacetic acid","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C108 H84 N4 O8 -","4","1","","Hideko Koshima; Kuiling Ding; Yosuke Chisaka; Teruo Matsuura","Generation of Chirality in a Two-Component Molecular Crystal of Acridine and Diphenylacetic Acid and Its Absolute Asymmetric Photodecarboxylating Condensation","Journal of the American Chemical Society","1996","118","","12059","12065","10.1021/ja961106q","","","1.5418","CuKα","","","0.043","","","0.058","","","","","1.84","1.84","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117212","9.871","0.001","17.6408","0.0009","6.1787","0.0009","90.28","0.007","107.31","0.01","101.002","0.006","1006.1","0.2","293.2","","293.2","","","","","","","","Synthesis in H. Koshima's laboratoru","4","P 1","P 1","1","Photocondensation product of acridine and diphenylacetic acid","","","- C53 H46 N2 O -","- C53 H46 N2 O -","- C53 H46 N2 O -","1","1","","Hideko Koshima; Kuiling Ding; Yosuke Chisaka; Teruo Matsuura","Generation of Chirality in a Two-Component Molecular Crystal of Acridine and Diphenylacetic Acid and Its Absolute Asymmetric Photodecarboxylating Condensation","Journal of the American Chemical Society","1996","118","","12059","12065","10.1021/ja961106q","","","0.7107","MoKα","","","0.033","","","0.05","","","","","1.4","1.4","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117213","13.363","0.005","10.277","0.004","18.792","0.004","90","","107.42","0.02","90","","2462.4","1.5","293.2","","293.2","","","","","","","","Synthesis in H. Koshima's laboratory","6","P 1 21 1","P 2yb","4","Salt of methylated photocondensation product with trifluoromethanesulfonate","","","- C28 H24 F3 N O3 S -","- C28 H24 F3 N O3 S -","- C112 H96 F12 N4 O12 S4 -","4","2","","Hideko Koshima; Kuiling Ding; Yosuke Chisaka; Teruo Matsuura","Generation of Chirality in a Two-Component Molecular Crystal of Acridine and Diphenylacetic Acid and Its Absolute Asymmetric Photodecarboxylating Condensation","Journal of the American Chemical Society","1996","118","","12059","12065","10.1021/ja961106q","","","1.5418","CuKα","","","0.065","","","0.102","","","","","2.67","2.67","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117214","12.717","0.006","13.061","0.009","13.542","0.005","90","0.05","105.57","0.03","89.99","0.05","2167","2","293.2","","293.2","","","","","","","","Synthesis in H. Koshima's laboratory","4","P 1 21/n 1","-P 2yn","14","Two-molecule crystal of acridine and 2,2-diphenylpropionic acid","","","- C28 H23 N O2 -","- C28 H23 N O2 -","- C112 H92 N4 O8 -","4","1","","Hideko Koshima; Kuiling Ding; Yosuke Chisaka; Teruo Matsuura","Generation of Chirality in a Two-Component Molecular Crystal of Acridine and Diphenylacetic Acid and Its Absolute Asymmetric Photodecarboxylating Condensation","Journal of the American Chemical Society","1996","118","","12059","12065","10.1021/ja961106q","","","0.7107","MoKα","","","0.052","","","0.067","","","","","1.46","1.46","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117215","12.215","0.002","12.218","0.003","26.562","0.006","90","","90","","120","","3433.1","1.3","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","Lithium-1,1-bicyclopropylethanolate","","- C8 H13 Li O -","- C8 H13 Li O -","- C144 H234 Li18 O18 -","18","1","","Bernd Goldfuss; Paul von Ragué Schleyer; Frank Hampel","A ""Lithium-Bonded"" Cyclopropyl Edge: The X-ray Crystal Structure of [Li-O-C(Me)-(c-CHCH2CH2)2]6 and Computational Studies","Journal of the American Chemical Society","1996","118","","12183","12189","10.1021/ja9618661","","","0.71073","MoKα","","0.0654","0.0492","","0.1385","0.1234","","","","1.11","1.136","1.136","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117216","11.4251","0.0008","8.0931","0.0008","16.441","0.002","90","","108.424","0.007","90","","1442.3","0.3","25","","25","","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,6S,6'S)-6,6'-Dimethyl-4,4'-spirobi(siloleno[3,2-b]thiophene)","","- C14 H16 S2 Si -","- C14 H16 S2 Si -","- C56 H64 S8 Si4 -","4","2","","Kohei Tamao; Kazunori Nakamura; Hiroyuki Ishii; Shigehiro Yamaguchi; Motoo Shiro","Axially Chiral Spirosilanes via Catalytic Asymmetric Intramolecular Hydrosilation","Journal of the American Chemical Society","1996","118","","12469","12470","10.1021/ja962754c","","","1.5418","CuKalpha","","","0.033","","","0.046","","","","","1.35","1.35","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117217","42.234","0.005","10.804","0.001","22.765","0.002","90","","94.702","0.008","90","","10352.6","1.8","213","2","213","2","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","Ta2(μ-H)2Cl2(Cy2N)4","","","- C48 H90 Cl2 N4 Ta2 -","- C48 H90 Cl2 N4 Ta2 -","- C384 H720 Cl16 N32 Ta16 -","8","1","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Xiaoping Wang","A Wonderful Bond That Wasn't There: Reformulation of a Compound ""Containing a Ta-Ta Bond without Bridging Ligands"" as [(Cy~2~N)~2~ClTa(μ-H)]~2~","Journal of the American Chemical Society","1996","118","","12449","12450","10.1021/ja9629165","","","0.71073","MoKα","","0.0367","0.0324","","0.0861","0.0804","","","","1.09","1.089","1.089","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117218","6.184","0.002","11.471","0.004","14.676","0.005","80.45","0.03","80.54","0.03","80.86","0.03","1003.4","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","Tris(dimethylamino)phosphane","","- C6 H18 N3 P -","- C6 H18 N3 P -","- C24 H72 N12 P4 -","4","2","","Norbert W. Mitzel; Bruce A. Smart; Karl-Heinz Dreihäupl; David W. H. Rankin; Hubert Schmidbaur","Low Symmetry in P(NR2)3 Skeletons and Related Fragments: An Inherent Phenomenon","Journal of the American Chemical Society","1996","118","","12673","12682","10.1021/ja9621861","","","0.71073","MoKα","","0.0983","0.0631","","0.2266","0.1699","","","","1.016","1.055","1.055","","","","","has coordinates,has Fobs","178943","2020-10-21","18:00:00",""
"4117219","11.593","0.002","12.446","0.003","7.297","0.003","90","","90","","90","","1052.9","0.5","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Tris(dimethylamino)methylene-phosphorane","","- C7 H20 N3 P -","- C7 H20 N3 P -","- C28 H80 N12 P4 -","4","1","","Norbert W. Mitzel; Bruce A. Smart; Karl-Heinz Dreihäupl; David W. H. Rankin; Hubert Schmidbaur","Low Symmetry in P(NR2)3 Skeletons and Related Fragments: An Inherent Phenomenon","Journal of the American Chemical Society","1996","118","","12673","12682","10.1021/ja9621861","","","0.71073","MoKα","","0.0875","0.0479","","0.1112","0.096","","","","1.019","1.076","1.076","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00",""
"4117220","13.304","0.004","20.151","0.005","9.201","0.002","90.82","0.02","101.77","0.02","100.65","0.02","2369.8","1.1","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C47.5 H53 F3 Fe N5 O S -","- C100 H110 F12 Fe2 N12 O4 S2 -","- C100 H110 F12 Fe2 N12 O4 S2 -","","","","Norikazu Ueyama; Nami Nishikawa; Yusuke Yamada; Taka-aki Okamura; Akira Nakamura","Cytochrome P-450 Model (Porphinato)(thiolato)iron(III) Complexes with Single and Double NH...S Hydrogen Bonds at the Thiolate Site","Journal of the American Chemical Society","1996","118","","12826","12827","10.1021/ja9622970","","","0.7107","MoKalpha","","","0.063","","","0.069","","","","","1.81","1.81","","","","","has coordinates","189883","2020-10-21","18:00:00",""
"4117221","13.467","0.004","14.797","0.006","12.821","0.005","103.88","0.03","107.71","0.03","65.94","0.02","2202.5","1.5","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C47.5 H53 F3 Fe N5 O S -","- C96 H110 F6 Fe2 N10 O2 S2 -","- C96 H110 F6 Fe2 N10 O2 S2 -","","","","Norikazu Ueyama; Nami Nishikawa; Yusuke Yamada; Taka-aki Okamura; Akira Nakamura","Cytochrome P-450 Model (Porphinato)(thiolato)iron(III) Complexes with Single and Double NH...S Hydrogen Bonds at the Thiolate Site","Journal of the American Chemical Society","1996","118","","12826","12827","10.1021/ja9622970","","","0.7107","MoKalpha","","","0.069","","","0.068","","","","","1.83","1.83","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117222","23.777","0.003","12.744","0.005","9.092","0.003","90","","90","","90","","2755","1.5","296.2","","296.2","","","","","","","","Dansylamidoethyl-cyclen Zn","7","P n a 21","P 2c -2n","33","ZnL","","","- C22 H35 Cl N6 O6 S Zn -","- C22 H35 Cl N6 O6 S Zn -","- C88 H140 Cl4 N24 O24 S4 Zn4 -","4","1","","Tohru Koike; Tomohiko Watanabe; Shin Aoki; Eiichi Kimura; Motoo Shiro","A Novel Biomimetic Zinc(II)-Fluorophore, Dansylamidoethyl-Pendant Macrocyclic Tetraamine 1,4,7,10-Tetraazacyclododecane (Cyclen)","Journal of the American Chemical Society","1996","118","","12696","12703","10.1021/ja962527a","","","1.5418","CuKα","","","0.0318","","","0.0474","","","","","1.311","1.311","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117223","17.354","0.005","17.479","0.005","16.664","0.004","89.95","0.02","100.66","0.02","90.02","0.02","4967","2","476.2","","476.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 Cu N2 O2 -","- C34 H22 Cu N2 O2 -","- C272 H176 Cu8 N16 O16 -","8","1","","Yadong Wang; T. D. P. Stack","Galactose Oxidase Model Complexes: Catalytic Reactivities","Journal of the American Chemical Society","1996","118","","13097","13098","10.1021/ja9621354","","","0.7109","MoKalpha","","","0.049","","","0.043","","","","","1.71","1.71","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117224","10.4865","0.0009","15.996","0.001","17.986","0.002","69.347","0.001","88.254","0.001","81.377","0.001","2790.4","0.4","273.2","","273.2","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 Cu N2 O2 S2 -","- C48 H50 Cu N2 O2 S2 -","- C96 H100 Cu2 N4 O4 S4 -","2","1","","Yadong Wang; T. D. P. Stack","Galactose Oxidase Model Complexes: Catalytic Reactivities","Journal of the American Chemical Society","1996","118","","13097","13098","10.1021/ja9621354","","","0.7107","MoKalpha","","","0.087","","","0.097","","","","","2.73","2.73","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117225","11.976","0.005","14.584","0.004","16.913","0.005","90","","90","","90","","2954","1.7","293","2","293","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 Cr O7 -","- C28 H38 Cr O7 -","- C112 H152 Cr4 O28 -","4","1","","José Barluenga; Andrés A. Trabanco; Josefa Flórez; Santiago García-Granda; Eduardo Martín","Asymmetric Conjugate Nucleophilic Addition of Organolithiums to Chromium (Menthyloxy)(aryl)carbene Complexes","Journal of the American Chemical Society","1996","118","","13099","13100","10.1021/ja962770+","","","0.71073","MoKα","","0.081","0.0352","","0.0845","0.0725","","","","1.05","1.097","1.097","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117226","15.751","0.007","16.645","0.007","18.886","0.009","80.27","0.04","65.06","0.04","83.72","0.04","4421","4","223","","223","","","","","","","","","8","P -1","-P 1","2","","","","- C87.21 Cl3.29 F2.13 N2 O3.13 P4 Re2 S0.71 -","- C89 H83 Cl5 F3 N2 O5 P4 Re2 S -","- C178 H166 Cl10 F6 N4 O10 P8 Re4 S2 -","2","1","","Wengan Wu; Phillip E. Fanwick; Richard A. Walton","The First Example of Isomerization of a Dimetal Complex Involving the Switch of a Metal-Metal Bond Order from 3 to 0. Synthesis and Characterization of the Paramagnetic Mixed-Valence Complex Cation [(XylNC)(OC)Re(μ-Cl)2(μ-dppm)2ReCl(CNXyl)]+1","Journal of the American Chemical Society","1996","118","","13091","13092","10.1021/ja962910f","","","0.71073","Mo-Kα","","0.07","0.052","","0.174","0.158","","","","1.064","1.085","1.085","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117227","21.474","0.003","14.163","0.002","17.112","0.002","90","","98.32","0.01","90","","5149.6","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C88 H80 Au4 F12 N4 O10 P4 -","- C88 H72 Au4 F12 N4 O10 P4 -","- C176 H144 Au8 F24 N8 O20 P8 -","2","0.5","","Michael J. Irwin; Jagadese J. Vittal; Glenn P. A. Yap; Richard J. Puddephatt","Linear Gold(I) Coordination Polymers: A Polymer with a Unique Sine Wave Conformation","Journal of the American Chemical Society","1996","118","","13101","13102","10.1021/ja963441k","","","0.71073","MoKα","","0.1652","0.0814","","0.2507","0.1939","","","","1.028","1.113","1.113","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117228","8.8985","0.0009","9.59","0.001","13.771","0.001","104.474","0.001","106.781","0.002","100.067","0.002","1050.05","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H38 Au2 F6 N2 O4 P2 -","- C44 H38 Au2 F6 N2 O4 P2 -","- C44 H38 Au2 F6 N2 O4 P2 -","1","0.5","","Michael J. Irwin; Jagadese J. Vittal; Glenn P. A. Yap; Richard J. Puddephatt","Linear Gold(I) Coordination Polymers: A Polymer with a Unique Sine Wave Conformation","Journal of the American Chemical Society","1996","118","","13101","13102","10.1021/ja963441k","","","0.71073","MoKα","","0.0283","0.0262","","0.082","0.0633","","","","1.064","1.063","1.063","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117229","11.533","0.003","10.25","0.003","15.157","0.004","90","","102.272","0.001","90","","1750.8","0.8","123.1","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 Ir N2 O3 -","- C20 H21 Ir N2 O3 -","- C80 H84 Ir4 N8 O12 -","4","1","","Yuta Maenaka; Tomoyoshi Suenobu; Shunichi Fukuzumi","Efficient Catalytic Interconversion between NADH and NAD+ Accompanied by Generation and Consumption of Hydrogen with a Water-Soluble Iridium Complex at Ambient Pressure and Temperature","Journal of the American Chemical Society","2012","134","","367","374","10.1021/ja207785f","","","0.7107","MoKα","","","0.0362","","","","0.0979","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117230","57.7039","0.0004","57.7039","0.0004","70.9767","0.0009","90","","90","","120","","204671","3","90","2","90","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C1225.5 H1327.5 Cd66 N128.5 O332.5 -","- C949.5 H671.5 Cd66 N28.5 O216.5 -","- C5697 H4029 Cd396 N171 O1299 -","6","0.333333","","Stephen P. Argent; Alex Greenaway; Maria del Carmen Gimenez-Lopez; William Lewis; Harriott Nowell; Andrei N. Khlobystov; Alexander J. Blake; Neil R. Champness; Martin Schröder","High-Nuclearity Metal-Organic Nanospheres: A Cd66 Ball","Journal of the American Chemical Society","2012","134","","55","58","10.1021/ja207845u","","","1.54184","CuKα","","0.138","0.0888","","","0.238","0.272","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117231","35.4763","0.0002","43.6363","0.0003","48.9095","0.0003","90","","90","","90","","75714.6","0.8","90","2","90","2","","","","","","","","5","P n n n :2","-P 2ab 2bc","48","","","","- C1242 H1296 Cd66 N116 O316 -","- C930 H556 Cd66 N12 O212 -","- C1860 H1112 Cd132 N24 O424 -","2","0.25","","Stephen P. Argent; Alex Greenaway; Maria del Carmen Gimenez-Lopez; William Lewis; Harriott Nowell; Andrei N. Khlobystov; Alexander J. Blake; Neil R. Champness; Martin Schröder","High-Nuclearity Metal-Organic Nanospheres: A Cd66 Ball","Journal of the American Chemical Society","2012","134","","55","58","10.1021/ja207845u","","","0.6889","synchrotron","","0.0761","0.0539","","","0.1405","0.1497","","","","","","1.137","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117232","37.7593","0.0011","16.0278","0.0005","20.2686","0.0006","90","","105.531","0.003","90","","11818.6","0.6","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C114 H122 Cd3 N8 O26 -","- C100.5 H78.5 Cd3 N3.5 O19 -","- C402 H314 Cd12 N14 O76 -","4","0.5","","Stephen P. Argent; Alex Greenaway; Maria del Carmen Gimenez-Lopez; William Lewis; Harriott Nowell; Andrei N. Khlobystov; Alexander J. Blake; Neil R. Champness; Martin Schröder","High-Nuclearity Metal-Organic Nanospheres: A Cd66 Ball","Journal of the American Chemical Society","2012","134","","55","58","10.1021/ja207845u","","","1.54184","CuKα","","0.103","0.086","","","0.267","0.289","","","","","","1.16","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117233","10.4977","0.0017","13.273","0.004","16.561","0.003","88.393","0.017","76.549","0.013","69.16","0.02","2093.6","0.9","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H82 Cd3 N4 O16 -","- C102 H82 Cd3 N4 O16 -","- C102 H82 Cd3 N4 O16 -","1","0.5","","Stephen P. Argent; Alex Greenaway; Maria del Carmen Gimenez-Lopez; William Lewis; Harriott Nowell; Andrei N. Khlobystov; Alexander J. Blake; Neil R. Champness; Martin Schröder","High-Nuclearity Metal-Organic Nanospheres: A Cd66 Ball","Journal of the American Chemical Society","2012","134","","55","58","10.1021/ja207845u","","","0.71073","MoKα","","0.147","0.089","","","0.198","0.228","","","","","","1.09","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117234","30.7832","0.0006","11.41495","0.00019","23.7561","0.0004","90","","101.419","0.0017","90","","8182.4","0.3","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C97 H76 Cd3 Cl N3 O13 -","- C97 H76 Cd3 Cl N3 O13 -","- C388 H304 Cd12 Cl4 N12 O52 -","4","1","","Stephen P. Argent; Alex Greenaway; Maria del Carmen Gimenez-Lopez; William Lewis; Harriott Nowell; Andrei N. Khlobystov; Alexander J. Blake; Neil R. Champness; Martin Schröder","High-Nuclearity Metal-Organic Nanospheres: A Cd66 Ball","Journal of the American Chemical Society","2012","134","","55","58","10.1021/ja207845u","","","1.54184","CuKα","","0.0536","0.0529","","","0.1422","0.1437","","","","","","1.046","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117235","16.901","0.003","9.2889","0.0019","19.688","0.004","90","","106.99","0.03","90","","2956","1.1","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H19 N O2 S -","- C16 H19 N O2 S -","- C128 H152 N8 O16 S8 -","8","2","","Mu Lin; Guan-Yu Kang; Yi-An Guo; Zhi-Xiang Yu","Asymmetric Rh(I)-Catalyzed Intramolecular [3 + 2] Cycloaddition of 1-Yne-vinylcyclopropanes for Bicyclo[3.3.0] Compounds with a Chiral Quaternary Carbon Stereocenter and Density Functional Theory Study of the Origins of Enantioselectivity","Journal of the American Chemical Society","2012","134","","398","405","10.1021/ja2082119","","","0.71073","MoKα","","0.0568","0.0531","","","0.1308","0.1336","","","","","","1.09","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117236","15.095","0.005","16.824","0.005","17.09","0.005","90.401","0.004","97.417","0.008","97.631","0.009","4264","2","93","2","93","2","","","","","","","","4","P 1","P 1","1","","","","- C48.5 H90 Na O45 -","- C48.5 H81.5 Na O45 -","- C97 H163 Na2 O90 -","2","2","","Ross S. Forgan; Ronald A. Smaldone; Jeremiah J. Gassensmith; Hiroyasu Furukawa; David B. Cordes; Qiaowei Li; Christopher E. Wilmer; Youssry Y. Botros; Randall Q. Snurr; Alexandra M. Z. Slawin; J. Fraser Stoddart","Nanoporous Carbohydrate Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","406","417","10.1021/ja208224f","","","0.71073","MoKα","","0.1255","0.1224","","","0.3235","0.327","","","","","","1.48","","","","has coordinates","286259","2023-09-07","06:04:42",""
"4117237","24.136","0.006","24.136","0.006","15.454","0.004","90","","90","","90","","9003","4","93","2","93","2","","","","","","","","4","I 4","I 4","79","","","","- C25 H45 Cs O22 -","- C25 H43 Cs O21 -","- C200 H344 Cs8 O168 -","8","1","","Ross S. Forgan; Ronald A. Smaldone; Jeremiah J. Gassensmith; Hiroyasu Furukawa; David B. Cordes; Qiaowei Li; Christopher E. Wilmer; Youssry Y. Botros; Randall Q. Snurr; Alexandra M. Z. Slawin; J. Fraser Stoddart","Nanoporous Carbohydrate Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","406","417","10.1021/ja208224f","","","0.71073","MoKα","","0.0799","0.0799","","","0.2377","0.2378","","","","","","1.12","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117238","17.4843","0.0002","17.4843","0.0002","22.5856","0.0005","90","","90","","120","","5979.42","0.16","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C48 H75 Br2 O46 Sr -","- C48 H75 Br2 O46 Sr -","- C144 H225 Br6 O138 Sr3 -","3","1","","Ross S. Forgan; Ronald A. Smaldone; Jeremiah J. Gassensmith; Hiroyasu Furukawa; David B. Cordes; Qiaowei Li; Christopher E. Wilmer; Youssry Y. Botros; Randall Q. Snurr; Alexandra M. Z. Slawin; J. Fraser Stoddart","Nanoporous Carbohydrate Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","406","417","10.1021/ja208224f","","","1.54178","CuKα","","0.0906","0.0899","","","0.2337","0.2351","","","","","","1.031","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117239","34.6471","0.0002","34.6471","0.0002","34.6471","0.0002","90","","90","","90","","41591.1","0.4","293","2","293","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- C384 H288 N288 Zn48 -","- C384 H288 N288 Zn48 -","- C768 H576 N576 Zn96 -","2","0.0208333","","Xiao-Ping Zhou; Mian Li; Jie Liu; Dan Li","Gyroidal Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","67","70","10.1021/ja208469n","","","1.54178","CuKα","","0.0776","0.0388","","","0.0791","0.0888","","","","","","0.867","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117240","35.795","0.0004","35.795","0.0004","35.795","0.0004","90","","90","","90","","45863.5","0.9","293","2","293","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- C384 H288 Mn48 N288 -","- C384 H288 Mn48 N288 -","- C768 H576 Mn96 N576 -","2","0.0208333","","Xiao-Ping Zhou; Mian Li; Jie Liu; Dan Li","Gyroidal Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","67","70","10.1021/ja208469n","","","1.54184","CuKα","","0.1183","0.0513","","","0.1117","0.1302","","","","","","0.82","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117241","34.2896","0.0003","34.2896","0.0003","34.2896","0.0003","90","","90","","90","","40316.9","0.6","293","2","293","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- C384 H288 Cu48 N288 -","- C384 H288 Cu48 N288 -","- C768 H576 Cu96 N576 -","2","0.0208333","","Xiao-Ping Zhou; Mian Li; Jie Liu; Dan Li","Gyroidal Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","67","70","10.1021/ja208469n","","","1.54184","CuKα","","0.051","0.0407","","","0.1148","0.1214","","","","","","1.031","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117242","33.8514","0.0019","33.8514","0.0019","33.8514","0.0019","90","","90","","90","","38791","4","100","2","100","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C384 H384 N288 Ni48 O48 -","- C384 H384 N288 Ni48 O48 -","- C768 H768 N576 Ni96 O96 -","2","0.0208333","","Xiao-Ping Zhou; Mian Li; Jie Liu; Dan Li","Gyroidal Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","67","70","10.1021/ja208469n","","","1.54184","CuKα","","0.1852","0.1289","","","0.3104","0.3708","","","","","","1.08","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117243","13.8921","0.0004","15.077","0.0005","16.2208","0.0005","111.497","0.001","105.984","0.001","106.199","0.001","2751.22","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H25.333 F N3 O6.667 -","- C17 H25.3333 F N3 O6.66667 -","- C102 H152 F6 N18 O40 -","6","3","","Mafra, Luís; Santos, Sérgio M.; Siegel, Renée; Alves, Inês; Paz, Filipe A. Almeida; Dudenko, Dmytro; Spiess, Hans W.","Packing Interactions in Hydrated and Anhydrous Forms of the Antibiotic Ciprofloxacin: a Solid-State NMR, X-ray Diffraction, and Computer Simulation Study","Journal of the American Chemical Society","2012","134","1","71","74","10.1021/ja208647n","","","0.71073","MoKα","","0.0852","0.0491","","","0.1206","0.1393","","","","","","1.022","","","","has coordinates","219257","2020-10-21","18:00:00",""
"4117244","13.8743","0.0006","15.9086","0.0006","16.5542","0.0011","115.64","0.003","103.505","0.003","102.53","0.002","2984.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H83 F3 N9 O23.5 -","- C51 H74 F3 N9 O23.5 -","- C102 H148 F6 N18 O47 -","2","1","","Mafra, Luís; Santos, Sérgio M.; Siegel, Renée; Alves, Inês; Paz, Filipe A. Almeida; Dudenko, Dmytro; Spiess, Hans W.","Packing Interactions in Hydrated and Anhydrous Forms of the Antibiotic Ciprofloxacin: a Solid-State NMR, X-ray Diffraction, and Computer Simulation Study","Journal of the American Chemical Society","2012","134","1","71","74","10.1021/ja208647n","","","0.71073","MoKα","","0.0807","0.0526","","","0.1407","0.1601","","","","","","1.038","","","","has coordinates","219257","2020-10-21","18:00:00",""
"4117245","17.2326","0.0004","7.697","0.0002","20.4782","0.0006","90","","108.648","0.001","90","","2573.62","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H46 N2 O9 S2 -","- C58.99 H40 N2 O8.99 S2 -","- C117.98 H80 N4 O17.98 S4 -","2","1","","Nandhini Ponnuswamy; G. Dan Pantoş; Maarten M. J. Smulders; Jeremy K. M. Sanders","Thermodynamics of Supramolecular Naphthalenediimide Nanotube Formation: The Influence of Solvents, Side Chains, and Guest Templates","Journal of the American Chemical Society","2012","134","","566","573","10.1021/ja2088647","","","0.71073","MoKα","","0.1344","0.0894","","","0.2312","0.2657","","","","","","1.095","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117246","17.6359","0.0011","17.6227","0.0013","7.9994","0.0005","90","","90","","90","","2486.2","0.3","100","2","100","2","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- C18 H14 -","- C18 H14 -","- C144 H112 -","8","1","","Longwu Ye; Yanzhao Wang; Donald H. Aue; Liming Zhang","Experimental and Computational Evidence for Gold Vinylidenes: Generation from Terminal Alkynes via a Bifurcation Pathway and Facile C-H Insertions","Journal of the American Chemical Society","2012","134","","31","34","10.1021/ja2091992","","","0.71073","MoKα","","0.0636","0.053","","","0.1338","0.1425","","","","","","1.05","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117247","27.6998","0.0019","8.0335","0.0006","19.1504","0.0013","90","","90","","90","","4261.5","0.5","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C50 H20 Cl10 -","- C50 H20 Cl10 -","- C200 H80 Cl40 -","4","1","","Lawrence T. Scott; Edward A. Jackson; Qianyan Zhang; Brian D. Steinberg; Mihail Bancu; Bo Li","A Short, Rigid, Structurally Pure Carbon Nanotube by Stepwise Chemical Synthesis","Journal of the American Chemical Society","2012","134","","107","110","10.1021/ja209461g","","","0.71073","MoKα","","0.0547","0.0467","","","0.103","0.1073","","","","","","1.064","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117248","10.8009","0.0004","16.5677","0.0005","17.0172","0.0006","90","","90","","90","","3045.16","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C52 H10 S4 -","- C52 H10 S4 -","- C208 H40 S16 -","4","1","","Lawrence T. Scott; Edward A. Jackson; Qianyan Zhang; Brian D. Steinberg; Mihail Bancu; Bo Li","A Short, Rigid, Structurally Pure Carbon Nanotube by Stepwise Chemical Synthesis","Journal of the American Chemical Society","2012","134","","107","110","10.1021/ja209461g","","","0.71073","MoKα","","0.0547","0.0375","","","0.0765","0.0833","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117249","4.763","0.0001","11.2526","0.0002","22.7956","0.0005","90","","90","","90","","1221.76","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(2-(benzylseleninyl)phenyl)methanol","(2-(benzylseleninyl)phenyl)methanol","","- C14 H14 O2 Se -","- C14 H14 O2 Se -","- C56 H56 O8 Se4 -","4","1","","Vanessa Nascimento; Eduardo E. Alberto; Daniel W. Tondo; Daniel Dambrowski; Michael R. Detty; Faruk Nome; Antonio L. Braga","GPx-Like Activity of Selenides and Selenoxides: Experimental Evidence for the Involvement of Hydroxy Perhydroxy Selenane as the Active Species","Journal of the American Chemical Society","2012","134","","138","141","10.1021/ja209570y","","","0.71073","MoKα","","0.0219","0.02","","","0.0489","0.0497","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117250","33.861","0.006","5.087","0.0007","18.047","0.004","90","","117.51","0.02","90","","2757.1","1","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","macrocycle","","","- C36 H24 O4 -","- C36 H24 O4 -","- C144 H96 O16 -","4","0.5","","Te-Jung Hsu; Frank W. Fowler; Joseph W. Lauher","Preparation and Structure of a Tubular Addition Polymer: A True Synthetic Nanotube","Journal of the American Chemical Society","2012","134","","142","145","10.1021/ja209792f","","","1.5418","CuKα","","0.112","0.0467","","","0.0956","0.1192","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117251","4.8389","0.0003","9.1349","0.0005","15.9935","0.0008","85.317","0.004","86.918","0.004","80.569","0.005","694.49","0.07","100","","100","","","","","","","","","3","P -1","-P 1","2","Monomer","5,12,24,31-Tetraoxa-tricyclo[33.3.1.16.20]tetracontra-1(39),16,18, 20(40),35,37-hexaene-2,7,9,14,21,26,28,33-octayne","","- C36 H24 O4 -","- C36 H24 O4 -","- C36 H24 O4 -","1","0.5","","Te-Jung Hsu; Frank W. Fowler; Joseph W. Lauher","Preparation and Structure of a Tubular Addition Polymer: A True Synthetic Nanotube","Journal of the American Chemical Society","2012","134","","142","145","10.1021/ja209792f","","","1.5418","CuKα","","0.0698","0.0519","","","0.1449","0.1678","","","","","","1.087","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117252","4.889","0.005","9.035","0.009","15.995","0.01","84.99","0.07","88.02","0.08","80.37","0.07","693.8","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","polymer","","","- C36 H24 O4 -","- C36 H24 O4 -","- C36 H24 O4 -","1","0.5","","Te-Jung Hsu; Frank W. Fowler; Joseph W. Lauher","Preparation and Structure of a Tubular Addition Polymer: A True Synthetic Nanotube","Journal of the American Chemical Society","2012","134","","142","145","10.1021/ja209792f","","","0.71073","MoKα","","0.2438","0.1008","","","0.2184","0.2726","","","","","","0.869","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117253","9.0332","0.0003","19.8837","0.0005","16.6632","0.0005","90","","108.186","0.0011","90","","2843.44","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 B N O P -","- C26 H39 B N O P -","- C104 H156 B4 N4 O4 P4 -","4","1","","Federica Bertini; Volodymyr Lyaskovskyy; Brian J. J. Timmer; Frans J. J. de Kanter; Martin Lutz; Andreas W. Ehlers; J. Chris Slootweg; Koop Lammertsma","Preorganized Frustrated Lewis Pairs","Journal of the American Chemical Society","2012","134","","201","204","10.1021/ja210214r","","","0.71073","MoKα","","0.0488","0.0378","","","0.0904","0.094","","","","","","0.995","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117254","11.1839","0.0003","10.8709","0.0003","17.0362","0.0005","90","","90","","90","","2071.25","0.1","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H30 B O2 P -","- C22 H30 B O2 P -","- C88 H120 B4 O8 P4 -","4","1","","Federica Bertini; Volodymyr Lyaskovskyy; Brian J. J. Timmer; Frans J. J. de Kanter; Martin Lutz; Andreas W. Ehlers; J. Chris Slootweg; Koop Lammertsma","Preorganized Frustrated Lewis Pairs","Journal of the American Chemical Society","2012","134","","201","204","10.1021/ja210214r","","","0.71073","MoKα","","0.0294","0.0269","","","0.0684","0.0698","","","","","","1.023","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117255","10.3252","0.0005","24.9121","0.0013","11.3554","0.0006","90","","91.982","0.003","90","","2919.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 N3 O4 Ru -","- C32 H41 N3 O4 Ru -","- C128 H164 N12 O16 Ru4 -","4","1","","Benjamin K. Keitz; Koji Endo; Paresma R. Patel; Myles B. Herbert; Robert H. Grubbs","Improved Ruthenium Catalysts for Z-Selective Olefin Metathesis","Journal of the American Chemical Society","2012","134","","693","699","10.1021/ja210225e","","","0.71073","MoKα","","0.0491","0.0315","","","0.0583","0.0595","","","","","","1.778","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117256","11.672","0.002","13.994","0.003","21.103","0.004","98.55","0.03","94.22","0.03","90.92","0.03","3398.1","1.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H42 B Cl2 I N2 -","- C36 H40 B I N2 -","- C144 H160 B4 I4 N8 -","4","2","","Kalyan V. Vasudevan; Michael Findlater; Ignacio Vargas-Baca; Alan H. Cowley","Tetrakis(imino)pyracene Complexes Exhibiting Multielectron Redox Processes","Journal of the American Chemical Society","2012","134","","176","178","10.1021/ja2102828","","","0.71073","MoKα","","0.1406","0.0603","","","0.1263","0.155","","","","","","0.963","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117257","11.825","0.005","15.01","0.005","20.439","0.005","90","0.005","95.079","0.005","90","0.005","3614","2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H76 Cl4 I6 N4 P2 -","- C64 H76 Cl4 I6 N4 P2 -","- C128 H152 Cl8 I12 N8 P4 -","2","0.5","","Kalyan V. Vasudevan; Michael Findlater; Ignacio Vargas-Baca; Alan H. Cowley","Tetrakis(imino)pyracene Complexes Exhibiting Multielectron Redox Processes","Journal of the American Chemical Society","2012","134","","176","178","10.1021/ja2102828","","","0.71069","MoKα","","0.1111","0.0453","","","0.1092","0.1399","","","","","","0.948","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117258","12.625","0.005","14.448","0.005","23.312","0.005","100.255","0.005","95.94","0.005","109.231","0.005","3890","2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H78 B2 Cl6 I7 N4 -","- C62 H72 B2 I7 N4 -","- C124 H144 B4 I14 N8 -","2","1","","Kalyan V. Vasudevan; Michael Findlater; Ignacio Vargas-Baca; Alan H. Cowley","Tetrakis(imino)pyracene Complexes Exhibiting Multielectron Redox Processes","Journal of the American Chemical Society","2012","134","","176","178","10.1021/ja2102828","","","0.71073","MoKα","","0.0798","0.0508","","","0.1529","0.1666","","","","","","1.035","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117259","12.794","0.003","16.144","0.003","17.155","0.003","90","","94.13","0.03","90","","3534.1","1.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H76 Cl4 I4 N4 Te2 -","- C64 H76 Cl4 I4 N4 Te2 -","- C128 H152 Cl8 I8 N8 Te4 -","2","0.5","","Kalyan V. Vasudevan; Michael Findlater; Ignacio Vargas-Baca; Alan H. Cowley","Tetrakis(imino)pyracene Complexes Exhibiting Multielectron Redox Processes","Journal of the American Chemical Society","2012","134","","176","178","10.1021/ja2102828","","","0.71069","MoKα","","0.1213","0.0469","","","0.0625","0.077","","","","","","0.941","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117260","13.1573","0.0004","23.1632","0.001","23.1529","0.0014","90","","94.162","0.0014","90","","7037.6","0.6","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H64 N6 O13 -","- C62 H60 N6 O13 -","- C248 H240 N24 O52 -","4","1","","Atsuya Muranaka; Shino Ohira; Daisuke Hashizume; Hiroyuki Koshino; Fumiko Kyotani; Machiko Hirayama; Masanobu Uchiyama","[18]/[20]π Hemiporphyrazine: A Redox-Switchable Near-Infrared Dye","Journal of the American Chemical Society","2012","134","","190","193","10.1021/ja210410c","","","0.71073","MoKα","","0.1907","0.1045","","","0.2829","0.3192","","","","","","0.926","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117261","23.7121","0.0009","30.4982","0.0014","7.9101","0.0004","90","","94.87","0.0018","90","","5699.7","0.4","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H59 N6 O11.5 -","- C62 H56 N6 O11.5 -","- C248 H224 N24 O46 -","4","0.5","","Atsuya Muranaka; Shino Ohira; Daisuke Hashizume; Hiroyuki Koshino; Fumiko Kyotani; Machiko Hirayama; Masanobu Uchiyama","[18]/[20]π Hemiporphyrazine: A Redox-Switchable Near-Infrared Dye","Journal of the American Chemical Society","2012","134","","190","193","10.1021/ja210410c","","","0.71073","MoKα","","0.1622","0.0993","","","0.2896","0.3577","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117262","11.2176","0.0009","11.7971","0.0009","12.231","0.0009","68.922","0.003","89.06","0.003","87.535","0.003","1508.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H23 B F10 P -","- C35 H23 B F10 P -","- C70 H46 B2 F20 P2 -","2","1","","Xiaoxi Zhao; Douglas W. Stephan","Correction to Olefin-Borane ""van der Waals Complexes"": Intermediates in Frustrated Lewis Pair Addition Reactions","Journal of the American Chemical Society","2012","134","","744","744","10.1021/ja210776r","","","0.71073","MoKα","","0.0529","0.0413","","","0.1145","0.1229","","","","","","1.032","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117263","10.2814","0.0007","17.2675","0.0012","18.1328","0.0013","84.142","0.006","82.53","0.006","75.825","0.005","3086.4","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H40 N O8 P Pd S -","- C29 H40 N O8 P Pd S -","- C116 H160 N4 O32 P4 Pd4 S4 -","4","2","","Tobias Friedberger; Philipp Wucher; Stefan Mecking","Mechanistic Insights into Polar Monomer Insertion Polymerization from Acrylamides","Journal of the American Chemical Society","2012","134","","1010","1018","10.1021/ja207110u","","","0.71073","MoKα","","0.0874","0.0575","","","0.1347","0.1473","","","","","","1.124","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117264","26.5717","0.0017","26.5717","0.0017","26.5717","0.0017","90","","90","","90","","18761","2","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C94 H42 Cl8.5 Fe12.5 N4 O60 -","- C94.26 H42 Cl8.42 Fe12.5 N4.02 O60 -","- C377.04 H168 Cl33.68 Fe50 N16.08 O240 -","4","0.0208333","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Template-Directed Synthesis of Nets Based upon Octahemioctahedral Cages That Encapsulate Catalytically Active Metalloporphyrins","Journal of the American Chemical Society","2012","134","","928","933","10.1021/ja208256u","","","1.54178","CuKα","","0.1278","0.0891","","","0.2543","0.2821","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117265","26.4292","0.0011","26.4292","0.0011","26.4292","0.0011","90","","90","","90","","18460.9","1.3","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C101.33 H75.5 Cl2.67 Co12.67 N5.33 O61.75 -","- C101.04 H48.24 Cl2.74 Co12.67 N5.28 O61.7 -","- C404.16 H192.96 Cl10.96 Co50.68 N21.12 O246.8 -","4","0.0208333","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Template-Directed Synthesis of Nets Based upon Octahemioctahedral Cages That Encapsulate Catalytically Active Metalloporphyrins","Journal of the American Chemical Society","2012","134","","928","933","10.1021/ja208256u","","","0.40663","synchrotron","","0.0997","0.0815","","","0.2452","0.2648","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117266","26.5974","0.0018","26.5974","0.0018","26.5974","0.0018","90","","90","","90","","18816","2","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C101.33 H72 Cl3.33 Mn12.67 N5.33 O60 -","- C101.04 H48.24 Cl3.38 Mn12.67 N5.28 O60 -","- C404.16 H192.96 Cl13.52 Mn50.68 N21.12 O240 -","4","0.0208333","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Template-Directed Synthesis of Nets Based upon Octahemioctahedral Cages That Encapsulate Catalytically Active Metalloporphyrins","Journal of the American Chemical Society","2012","134","","928","933","10.1021/ja208256u","","","0.40663","synchrotron","","0.1187","0.0925","","","0.2352","0.2601","","","","","","1.031","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117267","27.478","0.002","27.478","0.002","27.478","0.002","90","","90","","90","","20747","3","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C72 H24 Ni10.71 O81 -","- C72 H24 Ni10.78 O81.36 -","- C288 H96 Ni43.12 O325.44 -","4","0.0208333","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Template-Directed Synthesis of Nets Based upon Octahemioctahedral Cages That Encapsulate Catalytically Active Metalloporphyrins","Journal of the American Chemical Society","2012","134","","928","933","10.1021/ja208256u","","","1.54178","CuKα","","0.1329","0.1075","","","0.2816","0.2972","","","","","","1.091","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117268","19.653","0.003","44.127","0.006","14.543","0.002","90","","90","","90","","12612","3","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C108 H36 O91 Zn18.66 -","- C108 H36 O91 Zn18.67 -","- C216 H72 O182 Zn37.34 -","2","0.125","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Template-Directed Synthesis of Nets Based upon Octahemioctahedral Cages That Encapsulate Catalytically Active Metalloporphyrins","Journal of the American Chemical Society","2012","134","","928","933","10.1021/ja208256u","","","0.40663","synchrotron","","0.1357","0.1241","","","0.3302","0.3413","","","","","","1.061","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117269","29.342","0.004","17.0426","0.0017","34.304","0.003","90","","105.356","0.003","90","","16542","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C104 H214 Co6 Er8 N0 O62 P6 -","- C104 H214 Co6 Er8 O62 P6 -","- C416 H856 Co24 Er32 O248 P24 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1117","0.0887","","","0.1767","0.187","","","","","","1.169","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117270","29.595","0.004","16.662","0.002","33.908","0.004","90","","105.099","0.002","90","","16143","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C104 H214 Co6 N0 O62 P6 Yb8 -","- C104 H214 Co6 O62 P6 Yb8 -","- C416 H856 Co24 O248 P24 Yb32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1219","0.1098","","","0.2611","0.2696","","","","","","1.182","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117271","29.5082","0.0018","16.7659","0.001","34.054","0.002","90","","104.913","0.001","90","","16280.1","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C104 H214 Co6 N0 O62 P6 Pr8 -","- C104 H214 Co6 O62 P6 Pr8 -","- C416 H856 Co24 O248 P24 Pr32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1772","0.125","","","0.3021","0.3311","","","","","","1.248","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117272","16.4943","0.0017","23.414","0.002","22.372","0.002","90","","97.078","0.002","90","","8574.2","1.4","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C111 H220.5 Co6 N3.5 O60 P6 Tb8 -","- C111 H221.5 Co6 N3.5 O60 P6 Tb8 -","- C222 H443 Co12 N7 O120 P12 Tb16 -","2","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1112","0.0858","","","0.2081","0.2267","","","","","","1.13","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117273","15.2822","0.0019","19.968","0.003","28.174","0.004","100.14","0.002","102.999","0.002","96.596","0.002","8139","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C123 H191 Co4 Dy6 N3 O50 P6 -","- C123 H191 Co4 Dy6 N3 O50 P6 -","- C246 H382 Co8 Dy12 N6 O100 P12 -","2","1","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1754","0.1266","","","0.2948","0.3222","","","","","","1.147","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117274","21.4188","0.001","17.1961","0.001","14.1214","0.0008","90","","116.911","0.001","90","","4638","0.4","100","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C66 H116 Co4 Gd2 N4 O26 P2 -","- C66 H116 Co4 Gd2 N4 O26 P2 -","- C132 H232 Co8 Gd4 N8 O52 P4 -","2","0.25","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.0511","0.0473","","","0.1164","0.1192","","","","","","1.038","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117275","16.5791","0.0012","31.645","0.002","26.1091","0.0019","90","","98.798","0.001","90","","13536.9","1.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H176 Co8 N6 Nd2 O42 P4 -","- C110 H176 Co8 N6 Nd2 O42 P4 -","- C440 H704 Co32 N24 Nd8 O168 P16 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.0858","0.0671","","","0.1563","0.1665","","","","","","1.098","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117276","16.519","0.002","23.373","0.003","22.376","0.003","90","","97.303","0.002","90","","8569.3","1.9","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C111 H220.5 Co6 Dy8 N3.5 O60 P6 -","- C111 H222.46 Co6 Dy8 N3.5 O60 P6 -","- C222 H444.92 Co12 Dy16 N7 O120 P12 -","2","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1499","0.1027","","","0.265","0.3141","","","","","","1.126","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117277","16.5349","0.0018","23.424","0.003","22.442","0.003","90","","96.906","0.002","90","","8629","1.9","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C111 H220.5 Co6 Gd8 N3.5 O60 P6 -","- C111 H221.5 Co6 Gd8 N3.5 O60 P6 -","- C222 H443 Co12 Gd16 N7 O120 P12 -","2","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1092","0.0792","","","0.1992","0.227","","","","","","1.094","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117278","16.4875","0.001","31.7246","0.0018","26.0325","0.0016","90","","99.152","0.001","90","","13443.2","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C108 H176 Co8 Gd2 N6 O42 P4 -","- C108 H176 Co8 Gd2 N6 O42 P4 -","- C432 H704 Co32 Gd8 N24 O168 P16 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.0738","0.0535","","","0.1406","0.155","","","","","","1.077","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117279","21.4188","0.001","17.1961","0.001","14.1214","0.0008","90","","116.911","0.001","90","","4638","0.4","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C66 H116 Co4 N4 Nd2 O26 P2 -","- C66 H116 Co4 N4 Nd2 O26 P2 -","- C132 H232 Co8 N8 Nd4 O52 P4 -","2","0.25","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.0571","0.0499","","","0.1321","0.1376","","","","","","1.084","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117280","16.4893","0.001","23.3904","0.0014","22.4186","0.0014","90","","97.557","0.001","90","","8571.6","0.9","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C108 H222 Co6 Ho8 N2 O63 P6 -","- C108 H223 Co6 Ho8 N2 O63 P6 -","- C216 H446 Co12 Ho16 N4 O126 P12 -","2","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1121","0.0659","","","0.1598","0.1866","","","","","","1.048","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117281","13.3959","0.0011","29.13","0.003","18.0769","0.0015","90","","97.55","0.001","90","","6992.9","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C116 H174 Co4 N2 O46 P6 Tb6 -","- C116 H174 Co4 N2 O46 P6 Tb6 -","- C232 H348 Co8 N4 O92 P12 Tb12 -","2","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.0735","0.0644","","","0.1536","0.1582","","","","","","1.197","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117282","15.2003","0.0009","19.9855","0.0012","27.9447","0.0017","100.121","0.001","102.718","0.001","95.914","0.001","8062.8","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C125 H194 Co4 N4 O50 P6 Y6 -","- C125 H194 Co4 N4 O50 P6 Y6 -","- C250 H388 Co8 N8 O100 P12 Y12 -","2","1","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.2273","0.1091","","","0.278","0.3437","","","","","","1.085","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117283","35.3738","0.0017","20.4284","0.0009","24.9837","0.0012","90","","101.638","0.001","90","","17682.8","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H222 Co8 N4 O73 P8 Yb8 -","- C112 H222 Co8 N4 O73 P8 Yb8 -","- C448 H888 Co32 N16 O292 P32 Yb32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1061","0.0749","","","0.1789","0.2031","","","","","","1.044","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117284","35.477","0.007","20.541","0.005","25.02","0.006","90","","101.427","0.009","90","","17871","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H224 Co8 N4 O74 P8 Y8 -","- C112 H224 Co8 N4 O74 P8 Y8 -","- C448 H896 Co32 N16 O296 P32 Y32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.179","0.1116","","","0.2271","0.2824","","","","","","1.104","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117285","35.5222","0.0017","20.7264","0.0011","25.0267","0.0012","90","","102.029","0.001","90","","18021.3","1.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H222 Co8 N4 O73 P8 Tb8 -","- C112 H222 Co8 N4 O73 P8 Tb8 -","- C448 H888 Co32 N16 O292 P32 Tb32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1357","0.1003","","","0.2398","0.2754","","","","","","1.051","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117286","35.6135","0.0018","20.6435","0.001","24.9843","0.0012","90","","101.546","0.001","90","","17996.4","1.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H220 Co8 Dy8 N4 O72 P8 -","- C112 H220 Co8 Dy8 N4 O72 P8 -","- C448 H880 Co32 Dy32 N16 O288 P32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1642","0.0962","","","0.191","0.2301","","","","","","1.089","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117287","35.5392","0.0015","20.4949","0.0008","25.0246","0.001","90","","100.996","0.001","90","","17892.6","1.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H222 Co8 Er8 N4 O73 P8 -","- C112 H222 Co8 Er8 N4 O73 P8 -","- C448 H888 Co32 Er32 N16 O292 P32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.101","0.0595","","","0.1508","0.1853","","","","","","1.025","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117288","35.466","0.003","20.601","0.002","24.959","0.002","90","","101.842","0.002","90","","17848","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H222 Co8 Ho8 N4 O73 P8 -","- C112 H222 Co8 Ho8 N4 O73 P8 -","- C448 H888 Co32 Ho32 N16 O292 P32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1163","0.0854","","","0.199","0.2272","","","","","","1.024","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117289","28.476","0.006","16.345","0.003","29.076","0.006","90","","117.13","0.03","90","","12044","5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C73.4 H149.6 Bi7.6 K4 La N9.4 O24 Sn6.1 -","- C73.4 H146.8 Bi7.6 K4 La N9.4 O24 Sn6.1 -","- C293.6 H587.2 Bi30.4 K16 La4 N37.6 O96 Sn24.4 -","4","1","","Felicitas Lips; Małgorzata Hołyńska; Rodolphe Clérac; Uwe Linne; Inga Schellenberg; Rainer Pöttgen; Florian Weigend; Stefanie Dehnen","Doped Semimetal Clusters: Ternary, Intermetalloid Anions [Ln@Sn7Bi7]4- and [Ln@Sn4Bi9]4- (Ln = La, Ce) with Adjustable Magnetic Properties","Journal of the American Chemical Society","2012","134","","1181","1191","10.1021/ja209226b","","","0.71073","MoKα","","0.1141","0.0826","","","0.2225","0.2537","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117290","28.489","0.006","16.305","0.003","29.025","0.006","90","","118.34","0.03","90","","11867","5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C73.4 H145.5 Bi8.22 Ce K4 N9.4 O24 Sn5.17 -","- C73.4 H144.8 Bi8.23 Ce K4 N9.4 O24 Sn5.18 -","- C293.6 H579.2 Bi32.92 Ce4 K16 N37.6 O96 Sn20.72 -","4","1","","Felicitas Lips; Małgorzata Hołyńska; Rodolphe Clérac; Uwe Linne; Inga Schellenberg; Rainer Pöttgen; Florian Weigend; Stefanie Dehnen","Doped Semimetal Clusters: Ternary, Intermetalloid Anions [Ln@Sn7Bi7]4- and [Ln@Sn4Bi9]4- (Ln = La, Ce) with Adjustable Magnetic Properties","Journal of the American Chemical Society","2012","134","","1181","1191","10.1021/ja209226b","","","0.71073","MoKα","","0.123","0.0759","","","0.1867","0.2247","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117291","15.4962","0.0007","15.4962","0.0007","13.7523","0.0012","90","","90","","90","","3302.4","0.4","296","2","296","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- C9 H4 N12 Zn -","- C9 H4 N12 Zn -","- C36 H16 N48 Zn4 -","4","0.25","","Qipu Lin; Tao Wu; Shou-Tian Zheng; Xianhui Bu; Pingyun Feng","Single-Walled Polytetrazolate Metal-Organic Channels with High Density of Open Nitrogen-Donor Sites and Gas Uptake","Journal of the American Chemical Society","2012","134","","784","787","10.1021/ja2092882","","","0.71073","MoKα","","0.0631","0.0372","","","0.0816","0.0847","","","","","","1.062","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117292","13.4239","0.0007","13.4239","0.0007","13.4239","0.0007","90","","90","","90","","2419","0.2","93","2","93","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C27 H39 N O U -","- C27 H39 N O U -","- C108 H156 N4 O4 U4 -","4","0.333333","","Nathan A. Siladke; Katie R. Meihaus; Joseph W. Ziller; Ming Fang; Filipp Furche; Jeffrey R. Long; William J. Evans","Synthesis, Structure, and Magnetism of an f Element Nitrosyl Complex, (C5Me4H)3UNO","Journal of the American Chemical Society","2012","134","","1243","1249","10.1021/ja2096128","","","0.71073","MoKα","","0.0164","0.0158","","","0.0339","0.0342","","","","","","1.098","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117293","13.314","0.0009","26.852","0.0016","15.605","0.0008","90","","118.268","0.004","90","","4913.6","0.5","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,10,15,20-Tetrakis[2-(acetylthiomethyl)phenyl]porphyrin","","- C56 H46 N4 O4 S4 -","- C56 H46 N4 O4 S4 -","- C224 H184 N16 O16 S16 -","4","1","","Masanori Sakamoto; Daisuke Tanaka; Hironori Tsunoyama; Tatsuya Tsukuda; Yoshihiro Minagawa; Yutaka Majima; Toshiharu Teranishi","Platonic Hexahedron Composed of Six Organic Faces with an Inscribed Au Cluster","Journal of the American Chemical Society","2012","134","","816","819","10.1021/ja209634g","","","0.7107","MoKα","","0.1285","0.0688","","","0.1656","0.1973","","","","","","1.054","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117294","17.1599","0.0008","17.1599","0.0008","9.3979","0.0004","90","","90","","90","","2767.3","0.2","150","0.1","150","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","1,6,11,16-Tetrakis[2-(acethylthioethyl)phenyl]porphyrine","","- C62 H57 N5 O4 S4 -","- C60.5 H57 N4.25 O4 S4 -","- C121 H114 N8.5 O8 S8 -","2","0.25","","Masanori Sakamoto; Daisuke Tanaka; Hironori Tsunoyama; Tatsuya Tsukuda; Yoshihiro Minagawa; Yutaka Majima; Toshiharu Teranishi","Platonic Hexahedron Composed of Six Organic Faces with an Inscribed Au Cluster","Journal of the American Chemical Society","2012","134","","816","819","10.1021/ja209634g","","","0.71073","MoKα","","0.0647","0.0458","","","0.1124","0.1244","","","","","","0.978","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117295","28.9318","0.0004","28.9318","0.0004","10.3646","0.0003","90","","90","","90","","8675.7","0.3","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C134 H125 Cd7 Cl5 N18 O40.5 -","- C134 H125 Cd7 Cl5 N18 O40.52 -","- C268 H250 Cd14 Cl10 N36 O81.04 -","2","0.25","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Patrick Nugent; Mohamed Eddaoudi; Michael J. Zaworotko","Templated Synthesis, Postsynthetic Metal Exchange, and Properties of a Porphyrin-Encapsulating Metal-Organic Material","Journal of the American Chemical Society","2012","134","","924","927","10.1021/ja209643b","","","1.54178","CuKα","","0.0787","0.064","","","0.1574","0.1648","","","","","","1.097","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117296","28.505","0.0017","28.505","0.0017","10.3718","0.0007","90","","90","","90","","8427.5","0.9","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C108 H78 Cl5 Mn7 N8 O35 -","- C108 H78 Cl5 Mn7 N8 O35.04 -","- C216 H156 Cl10 Mn14 N16 O70.08 -","2","0.25","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Patrick Nugent; Mohamed Eddaoudi; Michael J. Zaworotko","Templated Synthesis, Postsynthetic Metal Exchange, and Properties of a Porphyrin-Encapsulating Metal-Organic Material","Journal of the American Chemical Society","2012","134","","924","927","10.1021/ja209643b","","","1.54178","CuKα","","0.0874","0.0685","","","0.1902","0.2012","","","","","","1.029","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117297","29.2846","0.0009","29.2846","0.0009","9.9941","0.0004","90","","90","","90","","8570.8","0.5","293","2","293","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C104 H64 Cd2 Cl4 Cu5 N8 O26.5 -","- C104 H64 Cd2 Cl4 Cu5 N8 O26.5 -","- C208 H128 Cd4 Cl8 Cu10 N16 O53 -","2","0.25","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Patrick Nugent; Mohamed Eddaoudi; Michael J. Zaworotko","Templated Synthesis, Postsynthetic Metal Exchange, and Properties of a Porphyrin-Encapsulating Metal-Organic Material","Journal of the American Chemical Society","2012","134","","924","927","10.1021/ja209643b","","","1.54178","CuKα","","0.1211","0.0688","","","0.1403","0.1508","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117298","10.5512","0.0009","12.6165","0.001","13.158","0.0014","109.582","0.002","103.7","0.003","105.063","0.0009","1489.1","0.2","293.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H36 Cl3 Ir O P -","- C27.5 H36 Cl3 Ir O P -","- C55 H72 Cl6 Ir2 O2 P2 -","2","1","","Tomohiro Iwai; Tetsuaki Fujihara; Jun Terao; Yasushi Tsuji","Iridium-Catalyzed Addition of Aroyl Chlorides and Aliphatic Acid Chlorides to Terminal Alkynes","Journal of the American Chemical Society","2012","134","","1268","1274","10.1021/ja209679c","","","0.7107","MoKα","","","0.0521","","","","0.1414","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117299","6.157","0.002","18.186","0.007","16.126","0.006","90","","90.867","0.005","90","","1805.4","1.1","293.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 Cl O -","- C22 H23 Cl O -","- C88 H92 Cl4 O4 -","4","1","","Tomohiro Iwai; Tetsuaki Fujihara; Jun Terao; Yasushi Tsuji","Iridium-Catalyzed Addition of Aroyl Chlorides and Aliphatic Acid Chlorides to Terminal Alkynes","Journal of the American Chemical Society","2012","134","","1268","1274","10.1021/ja209679c","","","0.7107","MoKα","","","0.0556","","","","0.1724","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117300","20.15","0.004","15.922","0.003","33.605","0.007","90","","90.57","0.03","90","","10781","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H46.5 Ag3.5 F7.5 N12 O8.5 S2.5 -","- C45 H46.5 Ag3.5 F7.5 N12 O8.5 S2.5 -","- C360 H372 Ag28 F60 N96 O68 S20 -","8","1","","Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang","Stabilization of a Reactive Polynuclear Silver Carbide Cluster through the Encapsulation within a Supramolecular Cage","Journal of the American Chemical Society","2012","134","","824","827","10.1021/ja209729h","","","0.71073","MoKα","","0.0645","0.0608","","","0.1615","0.1647","","","","","","1.115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117301","18.163","0.004","29.225","0.006","19.868","0.004","90","","98.3","0.03","90","","10436","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H36 Ag4 F9 N12 O9.5 S3 -","- C41 H36 Ag4 F9 N12 O9.5 S3 -","- C328 H288 Ag32 F72 N96 O76 S24 -","8","1","","Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang","Stabilization of a Reactive Polynuclear Silver Carbide Cluster through the Encapsulation within a Supramolecular Cage","Journal of the American Chemical Society","2012","134","","824","827","10.1021/ja209729h","","","0.71073","MoKα","","0.1316","0.1179","","","0.2836","0.2949","","","","","","1.236","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117302","13.612","0.003","38.593","0.008","17.636","0.004","90","","97.5","0.03","90","","9185","4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C77.32 H72 Ag5.29 F9.95 N24 O10.95 S3.32 -","- C77.317 H72 Ag5.291 F9.957 N24 O10.957 S3.317 -","- C309.268 H288 Ag21.164 F39.828 N96 O43.828 S13.268 -","4","1","","Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang","Stabilization of a Reactive Polynuclear Silver Carbide Cluster through the Encapsulation within a Supramolecular Cage","Journal of the American Chemical Society","2012","134","","824","827","10.1021/ja209729h","","","0.71073","MoKα","","0.1334","0.1143","","","0.272","0.2852","","","","","","1.193","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117303","13.5874","0.0003","6.739","0.0001","10.2833","0.0002","90","","90","","90","","941.6","0.03","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C12 H12 Ce2 O18 -","- C12 H12 Ce2 O18 -","- C24 H24 Ce4 O36 -","2","0.25","","Christophe Volkringer; Natacha Henry; Stéphane Grandjean; Thierry Loiseau","Uranyl and/or Rare-Earth Mellitates in Extended Organic-Inorganic Networks: A Unique Case of Heterometallic Cation-Cation Interaction with UVI=O-LnIII Bonding (Ln = Ce, Nd)","Journal of the American Chemical Society","2012","134","","1275","1283","10.1021/ja209915n","","","0.71073","MoKα","","0.0198","0.0174","","","0.0429","0.0441","","","","","","1.115","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117304","11.531","0.0003","11.531","0.0003","6.8198","0.0002","90","","90","","120","","785.3","0.04","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C12 H0 O31 U3 -","- C12 O30.9998 U3 -","- C12 O30.9998 U3 -","1","0.0833333","","Christophe Volkringer; Natacha Henry; Stéphane Grandjean; Thierry Loiseau","Uranyl and/or Rare-Earth Mellitates in Extended Organic-Inorganic Networks: A Unique Case of Heterometallic Cation-Cation Interaction with UVI=O-LnIII Bonding (Ln = Ce, Nd)","Journal of the American Chemical Society","2012","134","","1275","1283","10.1021/ja209915n","","","0.71069","MoKα","","0.0478","0.045","","","0.0788","0.0792","","","","5.57","5.57","5.46","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"4117305","15.5887","0.0005","11.6182","0.0003","13.1134","0.0003","90","","90","","90","","2375","0.11","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H12 Ce O22.5 U2 -","- C12 Ce O22.5 U2 -","- C48 Ce4 O90 U8 -","4","0.5","","Christophe Volkringer; Natacha Henry; Stéphane Grandjean; Thierry Loiseau","Uranyl and/or Rare-Earth Mellitates in Extended Organic-Inorganic Networks: A Unique Case of Heterometallic Cation-Cation Interaction with UVI=O-LnIII Bonding (Ln = Ce, Nd)","Journal of the American Chemical Society","2012","134","","1275","1283","10.1021/ja209915n","","","0.71073","MoKα","","0.0289","0.0253","","","0.0717","0.0814","","","","","","1.258","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117306","15.578","0.003","11.628","0.002","13.065","0.003","90","","90","","90","","2366.6","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H12 Nd O22.5 U2 -","- C12 Nd O22.5 U2 -","- C48 Nd4 O90 U8 -","4","0.5","","Christophe Volkringer; Natacha Henry; Stéphane Grandjean; Thierry Loiseau","Uranyl and/or Rare-Earth Mellitates in Extended Organic-Inorganic Networks: A Unique Case of Heterometallic Cation-Cation Interaction with UVI=O-LnIII Bonding (Ln = Ce, Nd)","Journal of the American Chemical Society","2012","134","","1275","1283","10.1021/ja209915n","","","0.71073","MoKα","","0.0337","0.0291","","","0.0793","0.0907","","","","","","1.23","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117307","14.745","0.003","13.978","0.003","27.529","0.006","90","","95.71","0.03","90","","5646","2","148","2","148","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H65 Cl N4 O16 S -","- C52 H65 Cl N4 O17 S -","- C208 H260 Cl4 N16 O68 S4 -","4","2","","Jian Xie; Akinori Okano; Joshua G. Pierce; Robert C. James; Simon Stamm; Christine M. Crane; Dale L. Boger","Total Synthesis of [Ψ[C(=S)NH]Tpg4]Vancomycin Aglycon, [Ψ[C(=NH)NH]Tpg4]Vancomycin Aglycon, and Related Key Compounds: Reengineering Vancomycin for Dual d-Ala-d-Ala and d-Ala-d-Lac Binding","Journal of the American Chemical Society","2012","134","","1284","1297","10.1021/ja209937s","","","0.71073","MoKα","","0.1059","0.0853","","","0.213","0.2284","","","","","","1.11","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117308","6.4186","0.0016","7.4571","0.0017","12.041","0.003","90.538","0.019","96.938","0.019","103.547","0.019","555.8","0.2","293.1","","293","","","","100","","","","","4","P -1","-P 1","2","","","","- C18 H12 Ni S12 -","- C18 H12 Ni1.03 S12 -","- C18 H12 Ni1.03 S12 -","1","0.5","","Yuki Idobata; Biao Zhou; Akiko Kobayashi; Hayao Kobayashi","Molecular Alloy with Diluted Magnetic Moments-Molecular Kondo System","Journal of the American Chemical Society","2012","134","","871","874","10.1021/ja210019y","","","0.7107","MoKα","","","0.0991","","","","0.1678","","","","","","0.947","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117309","19.2247","0.0007","19.2247","0.0007","19.2247","0.0007","90","","90","","90","","7105.2","0.4","293","2","293","2","","","","","","","","7","P m -3 n","-P 4n 2 3","223","","","","- C72 H145 B3 Co20 F12 N12 O73 -","- C72 H120 B3 Co20 F12 N12 O72 -","- C144 H240 B6 Co40 F24 N24 O144 -","2","0.0416667","","Liu-Cheng Gui; Xiu-Jian Wang; Qing-Ling Ni; Miao Wang; Fu-Pei Liang; Hua-Hong Zou","Nanospheric [M20(OH)12(maleate)12(Me2NH)12]4+ Clusters (M = Co, Ni) with Oh Symmetry","Journal of the American Chemical Society","2012","134","","852","854","10.1021/ja2100966","","","0.71073","MoKα","","0.0871","0.071","","","0.2271","0.2493","","","","","","1.139","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117310","18.9569","0.0002","18.9569","0.0002","18.9569","0.0002","90","","90","","90","","6812.43","0.12","150","2","293","2","","","","","","","","7","P m -3 n","-P 4n 2 3","223","","","","- C72 H127 B3 F12 N12 Ni20 O64 -","- C72 H120 B3 F12 N12 Ni20 O63 -","- C144 H240 B6 F24 N24 Ni40 O126 -","2","0.0416667","","Liu-Cheng Gui; Xiu-Jian Wang; Qing-Ling Ni; Miao Wang; Fu-Pei Liang; Hua-Hong Zou","Nanospheric [M20(OH)12(maleate)12(Me2NH)12]4+ Clusters (M = Co, Ni) with Oh Symmetry","Journal of the American Chemical Society","2012","134","","852","854","10.1021/ja2100966","","","1.54178","CuKα","","0.1137","0.0985","","","0.3163","0.3326","","","","","","1.017","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117311","13.3663","0.0009","14.6427","0.001","14.7977","0.001","79.809","0.001","70.191","0.001","73.345","0.001","2600.2","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[Ru(3b-H)(PNNP)](PF6)","","","- C53 H49 Cl4 F6 N2 O3 P3 Ru -","- C53 H49 Cl4 F6 N2 O3 P3 Ru -","- C106 H98 Cl8 F12 N4 O6 P6 Ru2 -","2","1","","Christoph Schotes; Martin Althaus; Raphael Aardoom; Antonio Mezzetti","Asymmetric Diels-Alder and Ficini Reactions with Alkylidene β-Ketoesters Catalyzed by Chiral Ruthenium PNNP Complexes: Mechanistic Insight","Journal of the American Chemical Society","2012","134","","1331","1343","10.1021/ja210372u","","","0.71073","MoKα","","0.0544","0.044","","","0.099","0.1043","","","","","","1.032","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117312","10.4554","0.0014","14.35","0.002","35.366","0.005","90","","95.133","0.003","90","","5284.9","1.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Ru(3b-H)(PNNP)](PF6) (minor) (5c)","","","- C53 H51 Cl5 F6 N2 O3 P3 Ru -","- C52.75 H50.75 Cl5.25 F6 N2 O3 P3 Ru -","- C211 H203 Cl21 F24 N8 O12 P12 Ru4 -","4","1","","Christoph Schotes; Martin Althaus; Raphael Aardoom; Antonio Mezzetti","Asymmetric Diels-Alder and Ficini Reactions with Alkylidene β-Ketoesters Catalyzed by Chiral Ruthenium PNNP Complexes: Mechanistic Insight","Journal of the American Chemical Society","2012","134","","1331","1343","10.1021/ja210372u","","","0.71073","MoKα","","0.1043","0.0818","","","0.1602","0.1692","","","","","","1.184","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117313","11.511","0.0007","13.8903","0.0008","20.6616","0.0012","96.886","0.001","93.755","0.001","113.085","0.001","2994.2","0.3","200","2","200","2","","","","","","","","8","P -1","-P 1","2","[Ru(6a)(PNNP)](PF6)2","","","- C56 H58 Cl4 F12 N2 O3 P4 Ru -","- C56 H58 Cl4 F12 N2 O3 P4 Ru -","- C112 H116 Cl8 F24 N4 O6 P8 Ru2 -","2","1","","Christoph Schotes; Martin Althaus; Raphael Aardoom; Antonio Mezzetti","Asymmetric Diels-Alder and Ficini Reactions with Alkylidene β-Ketoesters Catalyzed by Chiral Ruthenium PNNP Complexes: Mechanistic Insight","Journal of the American Chemical Society","2012","134","","1331","1343","10.1021/ja210372u","","","0.71073","MoKα","","0.0559","0.0504","","","0.129","0.1337","","","","","","1.021","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117314","10.086","0.002","11.779","0.002","17.97","0.003","85.97","0.02","73.83","0.02","66.45","0.02","1877.6","0.7","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H52 Li4 O4 S4 -","- C32 H52 Li4 O4 S4 -","- C64 H104 Li8 O8 S8 -","2","1","","Markus Granitzka; Ann-Christin Pöppler; Eike K. Schwarze; Daniel Stern; Thomas Schulz; Michael John; Regine Herbst-Irmer; Sushil K. Pandey; Dietmar Stalke","Aggregation of Donor Base Stabilized 2-Thienyllithium in a Single Crystal and in Solution: Distances from X-ray Diffraction and the Nuclear Overhauser Effect","Journal of the American Chemical Society","2012","134","","1344","1351","10.1021/ja210382c","","","0.71073","MoKα","","0.062","0.0429","","","0.1055","0.1163","","","","","","1.066","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117315","9.303","0.002","9.531","0.003","14.945","0.002","97.29","0.02","97.15","0.02","98.03","0.02","1287.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H38 Li2 O4 S2 -","- C24 H38 Li2 O4 S2 -","- C48 H76 Li4 O8 S4 -","2","1","","Markus Granitzka; Ann-Christin Pöppler; Eike K. Schwarze; Daniel Stern; Thomas Schulz; Michael John; Regine Herbst-Irmer; Sushil K. Pandey; Dietmar Stalke","Aggregation of Donor Base Stabilized 2-Thienyllithium in a Single Crystal and in Solution: Distances from X-ray Diffraction and the Nuclear Overhauser Effect","Journal of the American Chemical Society","2012","134","","1344","1351","10.1021/ja210382c","","","0.71073","MoKα","","0.041","0.0362","","","0.0916","0.0943","","","","","","1.048","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117316","8.625","0.002","10.471","0.002","12.749","0.002","76.66","0.02","81.73","0.02","67.47","0.02","1032.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1","","","- C16 H26 Li2 O4 S2 -","- C16 H26 Li2 O4 S2 -","- C32 H52 Li4 O8 S4 -","2","1","","Markus Granitzka; Ann-Christin Pöppler; Eike K. Schwarze; Daniel Stern; Thomas Schulz; Michael John; Regine Herbst-Irmer; Sushil K. Pandey; Dietmar Stalke","Aggregation of Donor Base Stabilized 2-Thienyllithium in a Single Crystal and in Solution: Distances from X-ray Diffraction and the Nuclear Overhauser Effect","Journal of the American Chemical Society","2012","134","","1344","1351","10.1021/ja210382c","","","0.71073","MoKα","","0.0538","0.0421","","","0.1108","0.1184","","","","","","1.045","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117317","8.466","0.002","15.573","0.003","12.226","0.002","90","","93.36","0.02","90","","1609.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H26 Li N3 S -","- C13 H26 Li N3 S -","- C52 H104 Li4 N12 S4 -","4","1","","Markus Granitzka; Ann-Christin Pöppler; Eike K. Schwarze; Daniel Stern; Thomas Schulz; Michael John; Regine Herbst-Irmer; Sushil K. Pandey; Dietmar Stalke","Aggregation of Donor Base Stabilized 2-Thienyllithium in a Single Crystal and in Solution: Distances from X-ray Diffraction and the Nuclear Overhauser Effect","Journal of the American Chemical Society","2012","134","","1344","1351","10.1021/ja210382c","","","0.71073","MoKα","","0.0467","0.0332","","","0.0814","0.0863","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117318","43.839","0.009","12.063","0.003","27.251","0.006","90","","100.738","0.003","90","","14159","6","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H111.5 F3.5 N2 O3 S Si12 -","- C49.5 H107 F3.5 N2 O3 S Si12 -","- C396 H856 F28 N16 O24 S8 Si96 -","8","1","","Torahiko Yamaguchi; Matthew Asay; Akira Sekiguchi","[[(Me3Si)2CH]2iPrSi(NHC)Si=Si(Me)SiiPr[CH(SiMe3)2]2]+: A Molecule with Disilenyl Cation Character","Journal of the American Chemical Society","2012","134","","886","889","10.1021/ja210669n","","","0.71073","MoKα","","0.1511","0.0636","","","0.1362","0.1794","","","","","","0.967","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117319","5.6703","0.0004","20.4999","0.0013","23.5934","0.0016","90","","90","","90","","2742.5","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 N2 O12 -","- C27 H36 N2 O12 -","- C108 H144 N8 O48 -","4","1","","Akihiko Yamamoto; Atsushi Ueda; Paul Brémond; Paolo S. Tiseni; Yoshito Kishi","Total Synthesis of Halichondrin C","Journal of the American Chemical Society","2012","134","","893","896","10.1021/ja2108307","","","1.54178","CuKα","","0.0562","0.041","","","0.0952","0.1042","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117320","6.9538","0.0002","14.2273","0.0004","35.8922","0.0008","90","","90","","90","","3550.95","0.16","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 I N O -","- C19 H20 I N O -","- C152 H160 I8 N8 O8 -","8","2","","Seiji Shirakawa; Kun Liu; Keiji Maruoka","Catalytic Asymmetric Synthesis of Axially Chiralo-Iodoanilides by Phase-Transfer Catalyzed Alkylations","Journal of the American Chemical Society","2012","134","","916","919","10.1021/ja211069f","","","1.54187","CuKα","","","0.0529","","","","0.1455","","","","","","0.836","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117321","16.2335","0.0003","20.7081","0.0004","18.2329","0.0004","90","","98.435","0.007","90","","6063","0.2","153","","153","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C61 H51 F12 I N2 O -","- C61 H51 F12 I N2 O -","- C244 H204 F48 I4 N8 O4 -","4","1","","Seiji Shirakawa; Kun Liu; Keiji Maruoka","Catalytic Asymmetric Synthesis of Axially Chiralo-Iodoanilides by Phase-Transfer Catalyzed Alkylations","Journal of the American Chemical Society","2012","134","","916","919","10.1021/ja211069f","","","1.54187","CuKα","","","0.1197","","","","0.3059","","","","","","0.967","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117322","12.992","0.002","8.1737","0.0013","18.325","0.003","90","","100.929","0.003","90","","1910.7","0.5","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 F3 O3 -","- C20 H25 F3 O3 -","- C80 H100 F12 O12 -","4","2","","Jun Deng; Bo Zhu; Zhaoyong Lu; Haixin Yu; Ang Li","Total Synthesis of (-)-Fusarisetin A and Reassignment of the Absolute Configuration of Its Natural Counterpart","Journal of the American Chemical Society","2012","134","","920","923","10.1021/ja211444m","","","0.71073","MoKα","","0.0814","0.0476","","","0.1112","0.1326","","","","","","1.027","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117323","10.0249","0.0008","17.349","0.0014","11.815","0.001","90","","95.166","0.002","90","","2046.5","0.3","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H31 N O5 -","- C22 H31 N O5 -","- C88 H124 N4 O20 -","4","2","","Jun Deng; Bo Zhu; Zhaoyong Lu; Haixin Yu; Ang Li","Total Synthesis of (-)-Fusarisetin A and Reassignment of the Absolute Configuration of Its Natural Counterpart","Journal of the American Chemical Society","2012","134","","920","923","10.1021/ja211444m","","","0.71073","MoKα","","0.0414","0.035","","","0.0973","0.1049","","","","","","1.064","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117324","11.5249","0.0003","17.7132","0.0005","18.2114","0.0005","65.7496","0.0016","86.9628","0.0017","77.0815","0.0015","3300.72","0.16","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","","","- C80 H62 Cl2 N4 -","- C68 H52 N4 -","- C136 H104 N8 -","2","1","","Derik K. Frantz; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Molecular Spur Gears Comprising Triptycene Rotators and Bibenzimidazole-Based Stators","Journal of the American Chemical Society","2012","134","","1528","1535","10.1021/ja2063346","","","0.71073","MoKα","","0.1116","0.0788","","","0.2331","0.2575","","","","","","1.049","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117325","13.829","0.003","15.179","0.004","8.489","0.002","90","","90.322","0.004","90","","1781.9","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 O4 Pb S4 -","- C14 H16 O4 Pb S4 -","- C56 H64 O16 Pb4 S16 -","4","0.5","","Jun He; Matthias Zeller; Allen D. Hunter; Zhengtao Xu","White Light Emission and Second Harmonic Generation from Secondary Group Participation (SGP) in a Coordination Network","Journal of the American Chemical Society","2012","134","","1553","1559","10.1021/ja2073559","","","0.71073","MoKα","","0.047","0.0432","","","0.1116","0.1135","","","","","","1.153","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117326","9.4828","0.0011","16.6237","0.0019","10.352","0.0012","90","","101.619","0.002","90","","1598.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 O6 Pb S2 -","- C14 H16 O6 Pb S2 -","- C56 H64 O24 Pb4 S8 -","4","2","","Jun He; Matthias Zeller; Allen D. Hunter; Zhengtao Xu","White Light Emission and Second Harmonic Generation from Secondary Group Participation (SGP) in a Coordination Network","Journal of the American Chemical Society","2012","134","","1553","1559","10.1021/ja2073559","","","0.71073","MoKα","","0.0383","0.0322","","","0.0512","0.0545","","","","","","0.874","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117327","47.632","0.01","11.154","0.002","14.125","0.003","90","","90","","90","","7504","3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H36 Cl2 N2 O4 Pd2 -","- C41 H36 Cl2 N2 O4 Pd2 -","- C328 H288 Cl16 N16 O32 Pd16 -","8","2","","Djamaladdin G. Musaev; Alexey Kaledin; Bing-Feng Shi; Jin-Quan Yu","Key Mechanistic Features of Enantioselective C-H Bond Activation Reactions Catalyzed by [(Chiral Mono-N-Protected Amino Acid)-Pd(II)] Complexes","Journal of the American Chemical Society","2012","134","","1690","1698","10.1021/ja208661v","","","0.71073","MoKα","","0.0878","0.0646","","","0.1514","0.166","","","","","","1.055","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117328","9.5821","0.0005","8.8103","0.0006","19.6995","0.0011","90","","91.119","0.004","90","","1662.74","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-43","","","- C36 H28 Cl2 N2 Pd2 -","- C36 H28 Cl2 N2 Pd2 -","- C72 H56 Cl4 N4 Pd4 -","2","0.5","","Djamaladdin G. Musaev; Alexey Kaledin; Bing-Feng Shi; Jin-Quan Yu","Key Mechanistic Features of Enantioselective C-H Bond Activation Reactions Catalyzed by [(Chiral Mono-N-Protected Amino Acid)-Pd(II)] Complexes","Journal of the American Chemical Society","2012","134","","1690","1698","10.1021/ja208661v","","","1.54178","CuKα","","0.0405","0.0332","","","0.082","0.085","","","","","","0.994","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4117329","8.8002","0.0012","13.2695","0.0019","8.9052","0.0013","90","","113.995","0.005","90","","950","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","3-41","","","- C24 H27 Cl0 N -","- C24 H27 N -","- C48 H54 N2 -","2","1","","Djamaladdin G. Musaev; Alexey Kaledin; Bing-Feng Shi; Jin-Quan Yu","Key Mechanistic Features of Enantioselective C-H Bond Activation Reactions Catalyzed by [(Chiral Mono-N-Protected Amino Acid)-Pd(II)] Complexes","Journal of the American Chemical Society","2012","134","","1690","1698","10.1021/ja208661v","","","1.54178","CuKα","","0.0322","0.0307","","","0.0744","0.0756","","","","","","1.08","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4117330","22.217","0.008","25.49","0.009","37.77","0.015","75.41","0.02","85.28","0.02","83.71","0.02","20542","13","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- As6 H240 K3.5 Mo18 Na32.5 O336 S18 W54 -","- As6 Mo18 Na8.25 O261 S18 W54 -","- As12 Mo36 Na16.5 O522 S36 W108 -","2","1","","Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot","Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold","Journal of the American Chemical Society","2012","134","","1724","1737","10.1021/ja2090383","","","0.71073","MoKα","","0.1535","0.0731","","","0.1937","0.2562","","","","","","0.987","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117331","39.7619","0.0008","37.8141","0.001","25.0128","0.0005","90","","90","","90","","37608.3","1.5","293","2","293","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- As6 H392 K Li35 Mo18 O412 S18 W54 -","- As6 Li6 Mo18 O309 S18 W54 -","- As24 Li24 Mo72 O1236 S72 W216 -","4","0.5","","Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot","Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold","Journal of the American Chemical Society","2012","134","","1724","1737","10.1021/ja2090383","","","0.71073","MoKα","","0.1113","0.0551","","","0.1506","0.2065","","","","","","1.188","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117332","21.112","0.0009","44.991","0.0017","38.4158","0.0013","90","","96.196","0.002","90","","36276","2","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- As6 H192 K34.5 Mo18 Na1.5 O312 S18 W54 -","- As6 K28.5 Mo18 O278.38 S18 W54 -","- As24 K114 Mo72 O1113.52 S72 W216 -","4","1","","Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot","Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold","Journal of the American Chemical Society","2012","134","","1724","1737","10.1021/ja2090383","","","0.71073","MoKα","","0.0775","0.0445","","","0.1235","0.1521","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117333","47.4379","0.001","18.6347","0.0003","36.2086","0.0007","90","","127.567","0.001","90","","25370.9","0.9","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- As4 H214 Li10 Mo12 O246 Rb14 S12 W36 -","- As4 Mo12 O183.4 Rb9.9 S12 W36 -","- As16 Mo48 O733.6 Rb39.6 S48 W144 -","4","0.5","","Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot","Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold","Journal of the American Chemical Society","2012","134","","1724","1737","10.1021/ja2090383","","","0.71073","MoKα","","0.1008","0.0588","","","0.1731","0.2178","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117334","47.2304","0.0005","18.6529","0.0003","36.3782","0.0001","90","","126.753","0.001","90","","25678.1","0.6","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- As4 Cs15 H128 Li9 Mo12 O208 S12 W36 -","- As4 Cs12.9 Mo12 O165 S12 W36 -","- As16 Cs51.6 Mo48 O660 S48 W144 -","4","0.5","","Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot","Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold","Journal of the American Chemical Society","2012","134","","1724","1737","10.1021/ja2090383","","","0.71073","MoKα","","0.1091","0.059","","","0.1605","0.1797","","","","","","0.939","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117335","22.818","0.003","22.818","0.003","21.265","0.004","90","","90","","120","","9589","3","296","2","296","2","","","","","","","","8","P -6 2 m","P -6 -2","189","","","","- As2 Cs9 H74 Li3 Mo6 O109 S6 W18 -","- As2 Cs7 Li1.5 Mo6 O79.5 S6 W18 -","- As4 Cs14 Li3 Mo12 O159 S12 W36 -","2","0.166667","","Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot","Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold","Journal of the American Chemical Society","2012","134","","1724","1737","10.1021/ja2090383","","","0.71073","MoKα","","0.0939","0.0531","","","0.1399","0.2021","","","","","","1.27","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117336","8.117","0.015","8.117","0.015","7.531","0.014","90","","90","","120","","429.7","1.4","150","2","150","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","nickel(II) hydrazine nitrate","","","- H12 N8 Ni O6 -","- H12 N8 Ni O6 -","- H24 N16 Ni2 O12 -","2","0.166667","","Oleksandr S. Bushuyev; Preston Brown; Amitesh Maiti; Richard H. Gee; Geneva R. Peterson; Brandon L. Weeks; Louisa J. Hope-Weeks","Ionic Polymers as a New Structural Motif for High-Energy-Density Materials","Journal of the American Chemical Society","2012","134","","1422","1425","10.1021/ja209640k","","","0.71073","MoKα","","0.0549","0.047","","","0.1185","0.1253","","","","","","1.089","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117337","5.1719","0.0003","16.3158","0.0011","8.5974","0.0006","90","","100.738","0.001","90","","712.78","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cobalt(II) hydrazine perchlorate","","","- Cl2 Co H20 N10 O8 -","- Cl2 Co H20 N10 O8 -","- Cl4 Co2 H40 N20 O16 -","2","0.5","","Oleksandr S. Bushuyev; Preston Brown; Amitesh Maiti; Richard H. Gee; Geneva R. Peterson; Brandon L. Weeks; Louisa J. Hope-Weeks","Ionic Polymers as a New Structural Motif for High-Energy-Density Materials","Journal of the American Chemical Society","2012","134","","1422","1425","10.1021/ja209640k","","","0.71073","MoKα","","0.025","0.0216","","","0.0521","0.0536","","","","","","1.063","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117338","5.1131","0.0005","16.2669","0.0015","8.5573","0.0008","90","","100.487","0.001","90","","699.86","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","nickel(II) hydrazine perchlorate","","","- Cl2 H20 N10 Ni O8 -","- Cl2 H20 N10 Ni O8 -","- Cl4 H40 N20 Ni2 O16 -","2","0.5","","Oleksandr S. Bushuyev; Preston Brown; Amitesh Maiti; Richard H. Gee; Geneva R. Peterson; Brandon L. Weeks; Louisa J. Hope-Weeks","Ionic Polymers as a New Structural Motif for High-Energy-Density Materials","Journal of the American Chemical Society","2012","134","","1422","1425","10.1021/ja209640k","","","0.71073","MoKα","","0.0207","0.0195","","","0.0484","0.0491","","","","","","1.049","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117339","9.11","0.009","16.152","0.015","24.27","0.02","90","","90","","90","","3571","6","173","","173","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H49 Cl F6 N2 P2 Rh Sb -","- C30 H49 Cl F6 N2 P2 Rh Sb -","- C120 H196 Cl4 F24 N8 P8 Rh4 Sb4 -","4","1","","Tsuneo Imamoto; Ken Tamura; Zhenfeng Zhang; Yumi Horiuchi; Masashi Sugiya; Kazuhiro Yoshida; Akira Yanagisawa; Ilya D. Gridnev","Rigid P-Chiral Phosphine Ligands with tert-Butylmethylphosphino Groups for Rhodium-Catalyzed Asymmetric Hydrogenation of Functionalized Alkenes","Journal of the American Chemical Society","2012","134","","1754","1769","10.1021/ja209700j","","","0.71073","MoKα","","0.0552","0.0386","","","0.0497","0.0531","","","","","","1.154","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117340","10.5466","0.0012","18.26","0.002","19.653","0.002","85.338","0.003","76.63","0.003","77.25","0.004","3589.6","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H91 N7 O9 -","- C84 H91 N7 O9 -","- C168 H182 N14 O18 -","2","1","","Sung Kuk Kim; Gabriela I. Vargas-Zúñiga; Benjamin P. Hay; Neil J. Young; Laetitia H. Delmau; Charles Masselin; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Bruce A. Moyer; Jonathan L. Sessler","Controlling Cesium Cation Recognition via Cation Metathesis within an Ion Pair Receptor","Journal of the American Chemical Society","2012","134","","1782","1792","10.1021/ja209706x","","","0.71073","MoKα","","0.1424","0.0867","","","0.1522","0.1743","","","","","","1.102","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117341","15.832","0.002","34.502","0.004","15.103","0.002","90","","90.1","0.004","90","","8249.8","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H72 Cl Cs N4 O12 -","- C80 H82 Cl4 Cs N4 O11 -","- C320 H328 Cl16 Cs4 N16 O44 -","4","1","","Sung Kuk Kim; Gabriela I. Vargas-Zúñiga; Benjamin P. Hay; Neil J. Young; Laetitia H. Delmau; Charles Masselin; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Bruce A. Moyer; Jonathan L. Sessler","Controlling Cesium Cation Recognition via Cation Metathesis within an Ion Pair Receptor","Journal of the American Chemical Society","2012","134","","1782","1792","10.1021/ja209706x","","","0.71069","MoKα","","0.0968","0.088","","","0.2307","0.2425","","","","","","1.468","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117342","19.4783","0.0006","11.2499","0.0003","34.8595","0.001","90","","103.196","0.002","90","","7437","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H102 Cs N5 O13 -","- C80 H87 Cs N5 O13 -","- C320 H348 Cs4 N20 O52 -","4","1","","Sung Kuk Kim; Gabriela I. Vargas-Zúñiga; Benjamin P. Hay; Neil J. Young; Laetitia H. Delmau; Charles Masselin; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Bruce A. Moyer; Jonathan L. Sessler","Controlling Cesium Cation Recognition via Cation Metathesis within an Ion Pair Receptor","Journal of the American Chemical Society","2012","134","","1782","1792","10.1021/ja209706x","","","0.71074","MoKα","","0.082","0.0572","","","0.1586","0.1682","","","","","","1.078","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117343","15.839","0.002","14.841","0.002","35.024","0.004","90","","93.29","0.004","90","","8219.4","1.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81.5 H91 Cl3 K N5 O13 -","- C81.5 H88 Cl3 K N5 O13 -","- C326 H352 Cl12 K4 N20 O52 -","4","1","","Sung Kuk Kim; Gabriela I. Vargas-Zúñiga; Benjamin P. Hay; Neil J. Young; Laetitia H. Delmau; Charles Masselin; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Bruce A. Moyer; Jonathan L. Sessler","Controlling Cesium Cation Recognition via Cation Metathesis within an Ion Pair Receptor","Journal of the American Chemical Society","2012","134","","1782","1792","10.1021/ja209706x","","","0.71074","MoKα","","0.3493","0.1751","","","0.3201","0.3622","","","","","","1.699","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117344","36.258","0.003","36.258","0.003","27.251","0.002","90","","90","","90","","35825","5","100","2","100","2","","","","","","","","5","I -4 2 m","I -4 2","121","U1U2840R","","","- K50.93 N16 Na0 O364 U68.49 -","- K50.96 N16 O364 U68.495 -","- K101.92 N32 O728 U136.99 -","2","0.125","","Jie Qiu; Jie Ling; Audrey Sui; Jennifer E. S. Szymanowski; Antonio Simonetti; Peter C. Burns","Time-Resolved Self-Assembly of a Fullerene-Topology Core-Shell Cluster Containing 68 Uranyl Polyhedra","Journal of the American Chemical Society","2012","134","","1810","1816","10.1021/ja210163b","","","0.71073","MoKα","","0.1301","0.0769","","","0.1957","0.2511","","","","","","1.177","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117345","14.484","0.003","32.495","0.007","22.293","0.005","90","","99.43","0.03","90","","10351","4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C95 H115 Cl3 F12 N8 O19 P2 -","- C95 H115 Cl3 F12 N8 O19 P2 -","- C380 H460 Cl12 F48 N32 O76 P8 -","4","1","","Wei Jiang; Karol Nowosinski; Nora L. Löw; Egor V. Dzyuba; Fabian Klautzsch; Andreas Schäfer; Juhani Huuskonen; Kari Rissanen; Christoph A. Schalley","Chelate Cooperativity and Spacer Length Effects on the Assembly Thermodynamics and Kinetics of Divalent Pseudorotaxanes","Journal of the American Chemical Society","2012","134","","1860","1868","10.1021/ja2107096","","","1.54178","CuKα","","0.1933","0.1132","","","0.3079","0.3648","","","","","","1.149","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117346","7.378","0.0015","11.193","0.002","41.95","0.008","90","","90.21","0.03","90","","3464.3","1.1","373","2","373","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C176 H184 N8 O24 -","8","4","","Allan, Kevin M.; Kobayashi, Kenichi; Rawal, Viresh H.","A Unified Route to the Welwitindolinone Alkaloids: Total Syntheses of (-)-N-Methylwelwitindolinone C Isothiocyanate, (-)-N-Methylwelwitindolinone C Isonitrile, and (-)-3-Hydroxy-N-methylwelwitindolinone C Isothiocyanate","Journal of the American Chemical Society","2012","134","3","1392","1395","10.1021/ja210793x","","","0.71073","MoKα","","0.1265","0.0638","","","0.097","0.1149","","","","","","0.771","","","","has coordinates","219251","2020-10-21","18:00:00",""
"4117347","9.482","0.002","20.878","0.005","11.974","0.002","90","","121.67","0.014","90","","2017.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cl N2 O3 S -","- C22 H21 Cl N2 O3 S -","- C88 H84 Cl4 N8 O12 S4 -","4","1","","Allan, Kevin M.; Kobayashi, Kenichi; Rawal, Viresh H.","A Unified Route to the Welwitindolinone Alkaloids: Total Syntheses of (-)-N-Methylwelwitindolinone C Isothiocyanate, (-)-N-Methylwelwitindolinone C Isonitrile, and (-)-3-Hydroxy-N-methylwelwitindolinone C Isothiocyanate","Journal of the American Chemical Society","2012","134","3","1392","1395","10.1021/ja210793x","","","0.71073","MoKα","","0.1151","0.0582","","","0.1051","0.118","","","","","","0.796","","","","has coordinates","219251","2020-10-21","18:00:00",""
"4117348","8.6672","0.0005","11.6307","0.0012","40.054","0.005","90","","93.283","0.009","90","","4031","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H57 N4 O V -","- C48 H57 N4 O V -","- C192 H228 N16 O4 V4 -","4","1","","Alexander G. Tskhovrebov; Euro Solari; Matthew D. Wodrich; Rosario Scopelliti; Kay Severin","Sequential N-O and N-N Bond Cleavage of N-Heterocyclic Carbene-Activated Nitrous Oxide with a Vanadium Complex","Journal of the American Chemical Society","2012","134","","1471","1473","10.1021/ja210976a","","","0.71073","MoKα","","0.0862","0.0768","","","0.165","0.1702","","","","","","1.169","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117349","10.984","0.003","11.655","0.004","18.774","0.008","85.57","0.03","79.28","0.03","62.45","0.03","2093.6","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H57 N4 O V -","- C48 H57 N4 O V -","- C96 H114 N8 O2 V2 -","2","1","","Alexander G. Tskhovrebov; Euro Solari; Matthew D. Wodrich; Rosario Scopelliti; Kay Severin","Sequential N-O and N-N Bond Cleavage of N-Heterocyclic Carbene-Activated Nitrous Oxide with a Vanadium Complex","Journal of the American Chemical Society","2012","134","","1471","1473","10.1021/ja210976a","","","0.71073","MoKα","","0.1421","0.0683","","","0.1002","0.1205","","","","","","1.119","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117350","5.8691","0.0002","11.2351","0.0004","14.3074","0.0005","90","","97.202","0.002","90","","935.99","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 O3 S -","- C21 H24 O3 S -","- C42 H48 O6 S2 -","2","1","","Barry M. Trost; Aaron C. Burns; Mark J. Bartlett; Thomas Tautz; Andrew H. Weiss","Thionium Ion Initiated Medium-Sized Ring Formation: The Total Synthesis of Asteriscunolide D","Journal of the American Chemical Society","2012","134","","1474","1477","10.1021/ja210986f","","","1.54178","CuKα","","0.0364","0.0347","","","0.087","0.0883","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117351","10.842","0.0004","22.6464","0.0007","14.5229","0.0005","90","","98.322","0.002","90","","3528.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H102 N4 Ni2 O2 -","- C82 H102 N4 Ni2 O2 -","- C164 H204 N8 Ni4 O4 -","2","0.5","","Madalyn R. Radlauer; Michael W. Day; Theodor Agapie","Bimetallic Effects on Ethylene Polymerization in the Presence of Amines: Inhibition of the Deactivation by Lewis Bases","Journal of the American Chemical Society","2012","134","","1478","1481","10.1021/ja210990t","","","0.71073","MoKα","","0.0909","0.0628","","","0.0754","0.0759","","","","","","3.87","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117352","17.1455","0.001","18.0109","0.001","23.4009","0.0013","70.258","0.003","72.094","0.003","84.191","0.003","6472.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70.5 H92 N4 Ni2 O2 -","- C70.5 H92 N4 Ni2 O2 -","- C282 H368 N16 Ni8 O8 -","4","2","","Madalyn R. Radlauer; Michael W. Day; Theodor Agapie","Bimetallic Effects on Ethylene Polymerization in the Presence of Amines: Inhibition of the Deactivation by Lewis Bases","Journal of the American Chemical Society","2012","134","","1478","1481","10.1021/ja210990t","","","0.71073","MoKα","","0.1363","0.0558","","","0.0618","0.0655","","","","","","1.277","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117353","9.7952","0.0005","22.8485","0.0013","14.6159","0.0007","90","","96.415","0.003","90","","3250.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H102 N4 Ni2 O2 -","- C68 H102 N4 Ni2 O2 -","- C136 H204 N8 Ni4 O4 -","2","0.5","","Madalyn R. Radlauer; Michael W. Day; Theodor Agapie","Bimetallic Effects on Ethylene Polymerization in the Presence of Amines: Inhibition of the Deactivation by Lewis Bases","Journal of the American Chemical Society","2012","134","","1478","1481","10.1021/ja210990t","","","0.71073","MoKα","","0.155","0.0705","","","0.0872","0.0917","","","","","","2.064","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117354","13.046","0.003","13.991","0.003","16.446","0.003","90","","90","","90","","3001.8","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","complex 5","","- C32 H32 F6 N2 Rh Sb -","- C32 H32 F6 N2 Rh Sb -","- C128 H128 F24 N8 Rh4 Sb4 -","4","1","","Michael E. Tauchert; Christopher D. Incarvito; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Mechanism of the Rhodium(III)-Catalyzed Arylation of Imines via C-H Bond Functionalization: Inhibition by Substrate","Journal of the American Chemical Society","2012","134","","1482","1485","10.1021/ja211110h","","","0.71073","MoKα","","0.0215","0.0198","","","0.0453","0.0468","","","","","","1.08","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117355","18.4587","0.0008","10.7989","0.0005","17.594","0.0009","90","","103.395","0.002","90","","3411.7","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","complex 4a","complex 4a","","- C35 H36 F6 N2 O2 Rh S Sb -","- C35 H36 F6 N2 O2 Rh S Sb -","- C140 H144 F24 N8 O8 Rh4 S4 Sb4 -","4","1","","Michael E. Tauchert; Christopher D. Incarvito; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Mechanism of the Rhodium(III)-Catalyzed Arylation of Imines via C-H Bond Functionalization: Inhibition by Substrate","Journal of the American Chemical Society","2012","134","","1482","1485","10.1021/ja211110h","","","0.71073","MoKα","","0.0643","0.0374","","","0.0608","0.0686","","","","","","1.013","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117356","20.9479","0.0015","10.8946","0.0003","17.4188","0.0004","90","","110.357","0.008","90","","3727","0.4","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","complex 4c","","","- C34 H37 F9 N2 O2 Rh Sb -","- C34 H37 F9 N2 O2 Rh Sb -","- C136 H148 F36 N8 O8 Rh4 Sb4 -","4","1","","Michael E. Tauchert; Christopher D. Incarvito; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Mechanism of the Rhodium(III)-Catalyzed Arylation of Imines via C-H Bond Functionalization: Inhibition by Substrate","Journal of the American Chemical Society","2012","134","","1482","1485","10.1021/ja211110h","","","1.54187","CuKα","","","0.0922","","","","0.2446","","","","","","1.035","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117357","18.8446","0.0009","9.9469","0.0004","19.9152","0.0009","90","","100.066","0.001","90","","3675.5","0.3","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","complex 4d","complex 4d","","- C33 H38 Cl2 F6 N2 O2 Rh Sb -","- C33 H38 Cl2 F6 N2 O2 Rh Sb -","- C132 H152 Cl8 F24 N8 O8 Rh4 Sb4 -","4","1","","Michael E. Tauchert; Christopher D. Incarvito; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Mechanism of the Rhodium(III)-Catalyzed Arylation of Imines via C-H Bond Functionalization: Inhibition by Substrate","Journal of the American Chemical Society","2012","134","","1482","1485","10.1021/ja211110h","","","0.71073","MoKα","","0.0289","0.0225","","","0.0636","0.0681","","","","","","1.059","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117358","4.0541","0.0008","6.6842","0.0013","13.04","0.003","103.999","0.002","97.334","0.002","91.227","0.002","339.56","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H4 F2 N2 -","- C7 H4 F2 N2 -","- C14 H8 F4 N4 -","2","1","","Yuta Fujiwara; Janice A. Dixon; Rodrigo A. Rodriguez; Ryan D. Baxter; Darryl D. Dixon; Michael R. Collins; Donna G. Blackmond; Phil S. Baran","A New Reagent for Direct Difluoromethylation","Journal of the American Chemical Society","2012","134","","1494","1497","10.1021/ja211422g","","","0.71073","MoKα","","0.0527","0.0409","","","0.1142","0.123","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117359","9.2688","0.0003","9.2688","0.0003","88.532","0.003","90","","90","","120","","6586.9","0.4","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C6 H18 F12 O18 S6 Zn3 -","- C6 H18 F12 O18 S6 Zn3 -","- C54 H162 F108 O162 S54 Zn27 -","9","0.5","","Yuta Fujiwara; Janice A. Dixon; Rodrigo A. Rodriguez; Ryan D. Baxter; Darryl D. Dixon; Michael R. Collins; Donna G. Blackmond; Phil S. Baran","A New Reagent for Direct Difluoromethylation","Journal of the American Chemical Society","2012","134","","1494","1497","10.1021/ja211422g","","","1.54178","CuKα","","0.1124","0.0935","","","0.2759","0.3022","","","","","","1.038","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117360","6.8101","0.0006","13.0126","0.001","12.828","0.001","90","","93.991","0.002","90","","1134.02","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 Br O6 -","- C24 H25 Br O6 -","- C48 H50 Br2 O12 -","2","1","","Barry M. Trost; Sushant Malhotra; Philipp Koschker; Pascal Ellerbrock","Development of the Enantioselective Addition of Ethyl Diazoacetate to Aldehydes: Asymmetric Synthesis of 1,2-Diols","Journal of the American Chemical Society","2012","134","","2075","2084","10.1021/ja206995s","","","0.71073","MoKα","","0.0514","0.036","","","0.0578","0.0627","","","","","","0.906","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117361","6.9163","0.0003","20.5882","0.0008","9.3847","0.0003","90","","95.402","0.002","90","","1330.39","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C52 H60 N4 O24 -","4","1","","Julian A. Codelli; Angela L. A. Puchlopek; Sarah E. Reisman","Enantioselective Total Synthesis of (-)-Acetylaranotin, a Dihydrooxepine Epidithiodiketopiperazine","Journal of the American Chemical Society","2012","134","","1930","1933","10.1021/ja209354e","","","0.71073","MoKα","","0.0536","0.0424","","","0.0612","0.0618","","","","","","2.394","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117362","9.8372","0.0004","7.2818","0.0003","11.6037","0.0005","90","","108.626","0.002","90","","787.67","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 O6 -","- C18 H18 N2 O6 -","- C36 H36 N4 O12 -","2","1","","Julian A. Codelli; Angela L. A. Puchlopek; Sarah E. Reisman","Enantioselective Total Synthesis of (-)-Acetylaranotin, a Dihydrooxepine Epidithiodiketopiperazine","Journal of the American Chemical Society","2012","134","","1930","1933","10.1021/ja209354e","","","0.71073","MoKα","","0.0564","0.0456","","","0.0767","0.0781","","","","","","1.822","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117363","7.6944","0.0003","9.6777","0.0003","26.3981","0.0009","90","","90","","90","","1965.71","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O6 S4 -","- C18 H16 N2 O6 S4 -","- C72 H64 N8 O24 S16 -","4","1","","Julian A. Codelli; Angela L. A. Puchlopek; Sarah E. Reisman","Enantioselective Total Synthesis of (-)-Acetylaranotin, a Dihydrooxepine Epidithiodiketopiperazine","Journal of the American Chemical Society","2012","134","","1930","1933","10.1021/ja209354e","","","0.71073","MoKα","","0.0483","0.0433","","","0.0639","0.0642","","","","","","2.797","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117364","20.744","0.004","7.7389","0.0015","12.557","0.003","90","","97.41","0.03","90","","1999","0.7","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H23 N2 O9 -","- C21 H23 N2 O9 -","- C84 H92 N8 O36 -","4","1","","Julian A. Codelli; Angela L. A. Puchlopek; Sarah E. Reisman","Enantioselective Total Synthesis of (-)-Acetylaranotin, a Dihydrooxepine Epidithiodiketopiperazine","Journal of the American Chemical Society","2012","134","","1930","1933","10.1021/ja209354e","","","0.71073","MoKα","","0.0724","0.0475","","","0.057","0.0586","","","","","","2.523","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117365","8.7348","0.0006","8.7348","0.0006","15.697","0.003","90","","90","","90","","1197.6","0.3","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- Ba3 Cl2 Cs Ga5 Se10 -","- Ba3 Cl2 Cs Ga5 Se10 -","- Ba6 Cl4 Cs2 Ga10 Se20 -","2","0.25","","Peng Yu; Liu-Jiang Zhou; Ling Chen","Noncentrosymmetric Inorganic Open-Framework Chalcohalides with Strong Middle IR SHG and Red Emission: Ba3AGa5Se10Cl2 (A = Cs, Rb, K)","Journal of the American Chemical Society","2012","134","","2227","2235","10.1021/ja209711x","","","0.71073","MoKα","","0.0242","0.0232","","","0.051","0.0516","","","","","","1.068","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117366","8.6629","0.0004","8.6629","0.0004","15.6379","0.0013","90","","90","","90","","1173.56","0.12","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- Ba3 Cl2 Ga5 Rb Se10 -","- Ba3 Cl2 Ga5 Rb Se10 -","- Ba6 Cl4 Ga10 Rb2 Se20 -","2","0.25","","Peng Yu; Liu-Jiang Zhou; Ling Chen","Noncentrosymmetric Inorganic Open-Framework Chalcohalides with Strong Middle IR SHG and Red Emission: Ba3AGa5Se10Cl2 (A = Cs, Rb, K)","Journal of the American Chemical Society","2012","134","","2227","2235","10.1021/ja209711x","","","0.71073","MoKα","","0.0204","0.0194","","","0.0397","0.0399","","","","","","0.983","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117367","8.6341","0.0007","8.6341","0.0007","15.644","0.002","90","","90","","90","","1166.2","0.2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- Ba3 Cl2 Ga5 K Se10 -","- Ba3 Cl2 Ga5 K Se10 -","- Ba6 Cl4 Ga10 K2 Se20 -","2","0.25","","Peng Yu; Liu-Jiang Zhou; Ling Chen","Noncentrosymmetric Inorganic Open-Framework Chalcohalides with Strong Middle IR SHG and Red Emission: Ba3AGa5Se10Cl2 (A = Cs, Rb, K)","Journal of the American Chemical Society","2012","134","","2227","2235","10.1021/ja209711x","","","0.71073","MoKα","","0.0275","0.0247","","","0.0442","0.0448","","","","","","0.937","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117368","10.66744","0.00032","7.60223","0.00023","7.40713","0.00022","90","","92.4379","0.0028","90","","600.15","0.03","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 Mn N3 Na O -","- C3 Mn N3 Na O -","- C12 Mn4 N12 Na4 O4 -","4","1","","Christopher M. Kareis; Saul H. Lapidus; Jae-Hyuk Her; Peter W. Stephens; Joel S. Miller","Non-Prussian Blue Structures and Magnetic Ordering of Na2MnII[MnII(CN)6] and Na2MnII[MnII(CN)6].2H2O","Journal of the American Chemical Society","2012","134","","2246","2254","10.1021/ja209799y","powder diffraction","","0.697106","synchrotron","","","","","","","","","","1.714","","","","","","","has coordinates,has Fobs","178944","2020-10-21","18:00:00",""
"4117369","10.62816","0.00032","7.52341","0.00023","7.38769","0.00022","90","","92.4366","0.0028","90","","590.19","0.03","15","","15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 Mn N3 Na O -","- C3 Mn N3 Na O -","- C12 Mn4 N12 Na4 O4 -","4","1","","Christopher M. Kareis; Saul H. Lapidus; Jae-Hyuk Her; Peter W. Stephens; Joel S. Miller","Non-Prussian Blue Structures and Magnetic Ordering of Na2MnII[MnII(CN)6] and Na2MnII[MnII(CN)6].2H2O","Journal of the American Chemical Society","2012","134","","2246","2254","10.1021/ja209799y","powder diffraction","","0.700015","synchrotron","","","","","","","","","","1.863","","","","","","","has coordinates,has Fobs","178944","2020-10-21","18:00:00",""
"4117370","6.6166","0.0003","6.6166","0.0003","19.2585","0.0009","90","","90","","120","","730.17","0.06","300","","300","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C3 Mn N3 Na -","- C3 Mn N3 Na -","- C18 Mn6 N18 Na6 -","6","0.333333","","Christopher M. Kareis; Saul H. Lapidus; Jae-Hyuk Her; Peter W. Stephens; Joel S. Miller","Non-Prussian Blue Structures and Magnetic Ordering of Na2MnII[MnII(CN)6] and Na2MnII[MnII(CN)6].2H2O","Journal of the American Chemical Society","2012","134","","2246","2254","10.1021/ja209799y","powder diffraction","","0.699994","synchrotron","","","","","","","","","","1.274","","","","","","","has coordinates,has Fobs","178944","2020-10-21","18:00:00",""
"4117371","50.6795","0.0007","50.6795","0.0007","50.6795","0.0007","90","","90","","90","","130166","3","296","2","296","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C260 H216 In20 Mg16 N4 O224 -","- C252 In20.04 Mg15.96 O224 -","- C2016 In160.32 Mg127.68 O1792 -","8","0.0416667","","Shou-Tian Zheng; Tao Wu; Fan Zuo; Chengtsung Chou; Pingyun Feng; Xianhui Bu","Mimicking Zeolite to Its Core: Porous Sodalite Cages as Hangers for Pendant Trimeric M3(OH) Clusters (M = Mg, Mn, Co, Ni, Cd)","Journal of the American Chemical Society","2012","134","","1934","1937","10.1021/ja209800x","","","0.71073","MoKα","","0.1329","0.0938","","","0.2608","0.2811","","","","","","1.018","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117372","50.9199","0.0004","50.9199","0.0004","50.9199","0.0004","90","","90","","90","","132027","1.8","296","2","296","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C260 H216 In20 Mn16 N4 O224 -","- C252 In20.04 Mn15.96 O224 -","- C2016 In160.32 Mn127.68 O1792 -","8","0.0416667","","Shou-Tian Zheng; Tao Wu; Fan Zuo; Chengtsung Chou; Pingyun Feng; Xianhui Bu","Mimicking Zeolite to Its Core: Porous Sodalite Cages as Hangers for Pendant Trimeric M3(OH) Clusters (M = Mg, Mn, Co, Ni, Cd)","Journal of the American Chemical Society","2012","134","","1934","1937","10.1021/ja209800x","","","0.71073","MoKα","","0.1178","0.08","","","0.218","0.2405","","","","","","1.024","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117373","50.5222","0.0003","50.5222","0.0003","50.5222","0.0003","90","","90","","90","","128958","1.3","296","2","296","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C260 H216 Co16 In20 N4 O224 -","- C252 Co15.96 In20.04 O224 -","- C2016 Co127.68 In160.32 O1792 -","8","0.0416667","","Shou-Tian Zheng; Tao Wu; Fan Zuo; Chengtsung Chou; Pingyun Feng; Xianhui Bu","Mimicking Zeolite to Its Core: Porous Sodalite Cages as Hangers for Pendant Trimeric M3(OH) Clusters (M = Mg, Mn, Co, Ni, Cd)","Journal of the American Chemical Society","2012","134","","1934","1937","10.1021/ja209800x","","","0.71073","MoKα","","0.1027","0.0754","","","0.2266","0.244","","","","","","1.038","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117374","50.5129","0.0003","50.5129","0.0003","50.5129","0.0003","90","","90","","90","","128886","1.3","296","2","296","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C260 H216 In20 N4 Ni16 O224 -","- C252 In20.04 Ni15.96 O224 -","- C2016 In160.32 Ni127.68 O1792 -","8","0.0416667","","Shou-Tian Zheng; Tao Wu; Fan Zuo; Chengtsung Chou; Pingyun Feng; Xianhui Bu","Mimicking Zeolite to Its Core: Porous Sodalite Cages as Hangers for Pendant Trimeric M3(OH) Clusters (M = Mg, Mn, Co, Ni, Cd)","Journal of the American Chemical Society","2012","134","","1934","1937","10.1021/ja209800x","","","0.71073","MoKα","","0.0948","0.0688","","","0.2007","0.2176","","","","","","1.023","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117375","50.5711","0.0011","50.5711","0.0011","50.5711","0.0011","90","","90","","90","","129332","5","296","2","296","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C260 H216 Cd16 In20 N4 O224 -","- C252 Cd15.96 In20.04 O231 -","- C2016 Cd127.68 In160.32 O1848 -","8","0.0416667","","Shou-Tian Zheng; Tao Wu; Fan Zuo; Chengtsung Chou; Pingyun Feng; Xianhui Bu","Mimicking Zeolite to Its Core: Porous Sodalite Cages as Hangers for Pendant Trimeric M3(OH) Clusters (M = Mg, Mn, Co, Ni, Cd)","Journal of the American Chemical Society","2012","134","","1934","1937","10.1021/ja209800x","","","0.71073","MoKα","","0.1319","0.0996","","","0.2661","0.2848","","","","","","1.215","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117376","10.42128","0.00027","14.8998","0.0004","17.5897","0.0005","90","","105.807","0.0013","90","","2627.96","0.12","","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C5 F N2 O24 Si12 -","- C4.769 F N2 O24 Si12 -","- C19.076 F4 N8 O96 Si48 -","4","0.5","","Alex Rojas; Evangelina Martínez-Morales; Claudio M. Zicovich-Wilson; Miguel A. Camblor","Zeolite Synthesis in Fluoride Media: Structure Direction toward ITW by Small Methylimidazolium Cations","Journal of the American Chemical Society","2012","134","","2255","2263","10.1021/ja209832y","powder diffraction","","","","","","","","","","","","","1.57","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117377","10.43748","0.00009","14.80768","0.00015","17.50255","0.00018","90","","106.09","0.0007","90","","2599.15","0.04","295","","","","","","","","","","synthetic","5","I 1 2/m 1","-I 2y","12","","","","- C6 F N2 O24 Si12 -","- C6 F N2 O24 Si12 -","- C24 F4 N8 O96 Si48 -","4","0.5","","Alex Rojas; Evangelina Martínez-Morales; Claudio M. Zicovich-Wilson; Miguel A. Camblor","Zeolite Synthesis in Fluoride Media: Structure Direction toward ITW by Small Methylimidazolium Cations","Journal of the American Chemical Society","2012","134","","2255","2263","10.1021/ja209832y","powder diffraction","","","","","","","","","","","","","2.06","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117378","10.32658","0.0001","14.9994","0.00013","17.71021","0.00019","90","","105.396","0.0007","90","","2644.74","0.05","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","","","- O2 Si -","- O2 Si -","- O96 Si48 -","48","6","","Alex Rojas; Evangelina Martínez-Morales; Claudio M. Zicovich-Wilson; Miguel A. Camblor","Zeolite Synthesis in Fluoride Media: Structure Direction toward ITW by Small Methylimidazolium Cations","Journal of the American Chemical Society","2012","134","","2255","2263","10.1021/ja209832y","powder diffraction","","","","","","","","","","","","","1.83","","","","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117379","48.779","0.003","3.8228","0.0002","14.2036","0.0009","90","","90","","90","","2648.6","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","ClBBO","","","- C6 Cl N2 O S4 -","- C6 Cl N2 O S4 -","- C72 Cl12 N24 O12 S48 -","12","3","","Yu, Xin; Mailman, Aaron; Lekin, Kristina; Assoud, Abdeljalil; Robertson, Craig M.; Noll, Bruce C.; Campana, Charles F.; Howard, Judith A. K.; Dube, Paul A.; Oakley, Richard T.","Semiquinone-Bridged Bisdithiazolyl Radicals as Neutral Radical Conductors","Journal of the American Chemical Society","2012","134","4","2264","2275","10.1021/ja209841z","","","1.54178","CuKα","","0.0886","0.0788","","","0.198","0.2043","","","","","","1.059","","","","has coordinates","219253","2020-10-21","18:00:00",""
"4117380","9.4913","0.0003","23.5986","0.0008","5.3124","0.0002","90","","90","","90","","1189.88","0.07","300","2","299.53","","","","","","","","","6","P n a 21","P 2c -2n","33","ClBBO.MeCN","","","- C8 H3 Cl N3 O S4 -","- C8 H3 Cl N3 O S4 -","- C32 H12 Cl4 N12 O4 S16 -","4","1","","Yu, Xin; Mailman, Aaron; Lekin, Kristina; Assoud, Abdeljalil; Robertson, Craig M.; Noll, Bruce C.; Campana, Charles F.; Howard, Judith A. K.; Dube, Paul A.; Oakley, Richard T.","Semiquinone-Bridged Bisdithiazolyl Radicals as Neutral Radical Conductors","Journal of the American Chemical Society","2012","134","4","2264","2275","10.1021/ja209841z","","","1.54188","CUKα","","0.0227","0.0216","","","0.0561","0.0565","","","","","","1.069","","","","has coordinates","219253","2020-10-21","18:00:00",""
"4117381","14.3729","0.0007","14.3342","0.0007","16.5005","0.0008","90","","90","","90","","3399.5","0.3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","ClBBO.SbF6.MeCN","","","- C8 H3 Cl F6 N3 O S4 Sb -","- C8 H3 Cl F6 N3 O S4 Sb -","- C64 H24 Cl8 F48 N24 O8 S32 Sb8 -","8","1","","Xin Yu; Aaron Mailman; Kristina Lekin; Abdeljalil Assoud; Craig M. Robertson; Bruce C. Noll; Charles F. Campana; Judith A. K. Howard; Paul A. Dube; Richard T. Oakley","Semiquinone-Bridged Bisdithiazolyl Radicals as Neutral Radical Conductors","Journal of the American Chemical Society","2012","134","","2264","2275","10.1021/ja209841z","","","0.71073","MoKα","","0.0593","0.0458","","","0.0803","0.0863","","","","","","1.263","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4117382","6.04443","0.00018","7.6997","0.0002","12.3317","0.0004","74.488","0.003","85.322","0.003","86.211","0.003","550.59","0.03","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H14 Cl N O6 -","- C7 H14 Cl N O6 -","- C14 H28 Cl2 N2 O12 -","2","1","","Daryl A. Guthrie; Nam Y. Kim; Maxime A. Siegler; Cathy D. Moore; John P. Toscano","Development of N-Substituted Hydroxylamines as Efficient Nitroxyl (HNO) Donors","Journal of the American Chemical Society","2012","134","","1962","1965","10.1021/ja2103923","","","0.71073","MoKα","","0.0334","0.0278","","","0.0709","0.0731","","","","","","1.1","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117383","11.4024","0.0003","12.4341","0.0003","8.0005","0.0003","90","","99.51","0.003","90","","1118.71","0.06","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N2 O6 -","- C9 H14 N2 O6 -","- C36 H56 N8 O24 -","4","1","","Daryl A. Guthrie; Nam Y. Kim; Maxime A. Siegler; Cathy D. Moore; John P. Toscano","Development of N-Substituted Hydroxylamines as Efficient Nitroxyl (HNO) Donors","Journal of the American Chemical Society","2012","134","","1962","1965","10.1021/ja2103923","","","0.71073","MoKα","","0.0471","0.0337","","","0.0795","0.0849","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117384","7.5765","0.0003","7.6395","0.0004","11.1394","0.0003","81.909","0.003","81.289","0.003","63.606","0.004","568.92","0.04","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 Cl N3 O4 -","- C8 H14 Cl N3 O4 -","- C16 H28 Cl2 N6 O8 -","2","1","","Daryl A. Guthrie; Nam Y. Kim; Maxime A. Siegler; Cathy D. Moore; John P. Toscano","Development of N-Substituted Hydroxylamines as Efficient Nitroxyl (HNO) Donors","Journal of the American Chemical Society","2012","134","","1962","1965","10.1021/ja2103923","","","0.71073","MoKα","","0.0367","0.0295","","","0.0781","0.0814","","","","","","1.064","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117385","7.7437","0.0003","10.5514","0.0004","15.0891","0.0006","107.325","0.003","97.908","0.003","90.257","0.003","1164.41","0.08","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H14 N4 O5 -","- C9 H14 N4 O5 -","- C36 H56 N16 O20 -","4","2","","Daryl A. Guthrie; Nam Y. Kim; Maxime A. Siegler; Cathy D. Moore; John P. Toscano","Development of N-Substituted Hydroxylamines as Efficient Nitroxyl (HNO) Donors","Journal of the American Chemical Society","2012","134","","1962","1965","10.1021/ja2103923","","","0.71073","MoKα","","0.0559","0.0369","","","0.0832","0.0895","","","","","","1.035","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117386","5.8807","0.0002","26.272","0.0008","9.134","0.0003","90","","101.419","0.004","90","","1383.25","0.08","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N4 O3 -","- C13 H16 N4 O3 -","- C52 H64 N16 O12 -","4","1","","Daryl A. Guthrie; Nam Y. Kim; Maxime A. Siegler; Cathy D. Moore; John P. Toscano","Development of N-Substituted Hydroxylamines as Efficient Nitroxyl (HNO) Donors","Journal of the American Chemical Society","2012","134","","1962","1965","10.1021/ja2103923","","","0.71073","MoKα","","0.0484","0.0376","","","0.0922","0.0966","","","","","","1.038","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117387","11.1127","0.0004","9.1165","0.0002","10.0702","0.0003","90","","104.117","0.003","90","","989.39","0.05","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N3 O4 -","- C8 H13 N3 O4 -","- C32 H52 N12 O16 -","4","1","","Daryl A. Guthrie; Nam Y. Kim; Maxime A. Siegler; Cathy D. Moore; John P. Toscano","Development of N-Substituted Hydroxylamines as Efficient Nitroxyl (HNO) Donors","Journal of the American Chemical Society","2012","134","","1962","1965","10.1021/ja2103923","","","0.71073","MoKα","","0.0518","0.0399","","","0.1056","0.1123","","","","","","1.058","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117388","9.311","0.003","11.161","0.004","14.008","0.005","90.704","0.004","97.034","0.004","111.539","0.004","1341.3","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H39 P2 Ta -","- C32 H39 P2 Ta -","- C64 H78 P4 Ta2 -","2","1","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.0191","0.0175","","","0.0434","0.0441","","","","","","1.029","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117389","8.8509","0.0009","8.9422","0.0009","13.5025","0.0013","82.255","0.001","79.678","0.001","80.406","0.001","1030.6","0.18","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 Cl2 Ta -","- C22 H23 Cl2 Ta -","- C44 H46 Cl4 Ta2 -","2","1","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.0253","0.0213","","","0.0475","0.0488","","","","","","1.056","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117390","26.135","0.0019","13.3142","0.001","17.0189","0.0013","90","","116.861","0.001","90","","5283.1","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H39 P2 Ta -","- C28 H39 P2 Ta -","- C224 H312 P16 Ta8 -","8","1","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.0819","0.041","","","0.0728","0.0865","","","","","","1.001","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117391","7.8735","0.0009","8.7919","0.001","37.038","0.004","88.55","0.002","88.722","0.002","89.755","0.002","2562.4","0.5","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 Br0.66 Cl0.34 Mg O2 -","- C28 H33 Br0.656 Cl0.344 Mg O2 -","- C112 H132 Br2.624 Cl1.376 Mg4 O8 -","4","2","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.1009","0.0555","","","0.1159","0.1309","","","","","","1.015","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117392","7.5927","0.0005","19.6428","0.0013","21.5544","0.0014","90","","90","","90","","3214.7","0.4","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 I -","- C20 H17 I -","- C160 H136 I8 -","8","2","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.0287","0.0247","","","0.0557","0.0575","","","","","","1.037","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117393","7.0053","0.0008","18.055","0.002","16.2693","0.0018","90","","91.585","0.002","90","","2057","0.4","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cl Ta -","- C23 H26 Cl Ta -","- C92 H104 Cl4 Ta4 -","4","1","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.0535","0.0322","","","0.063","0.0698","","","","","","1.027","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117394","26.179","0.003","13.3008","0.0015","16.988","0.002","90","","117.349","0.002","90","","5254.1","1.1","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H36 Cl P2 Ta -","- C27 H36 Cl P2 Ta -","- C216 H288 Cl8 P16 Ta8 -","8","1","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.0603","0.032","","","0.062","0.0721","","","","","","1.019","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117395","12.4272","0.0017","12.8506","0.0018","16.636","0.002","90","","102.338","0.002","90","","2595.4","0.6","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H33 Cl2 P2 Ta -","- C26 H33 Cl2 P2 Ta -","- C104 H132 Cl8 P8 Ta4 -","4","0.5","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.0377","0.0281","","","0.0557","0.0592","","","","","","1.038","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117396","9.896","0.003","13.06","0.005","11.577","0.004","90","","98.6","0.02","90","","1479.4","0.9","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C27 H31 Cl Cr N2 O5 Si -","- C27 H31 Cl Cr N2 O5 Si -","- C54 H62 Cl2 Cr2 N4 O10 Si2 -","2","0.5","","Ramachandran Azhakar; Rajendra S. Ghadwal; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke","Stabilization of Low Valent Silicon Fluorides in the Coordination Sphere of Transition Metals","Journal of the American Chemical Society","2012","134","","2423","2428","10.1021/ja210697p","","","0.56086","AgKα","","0.0372","0.0313","","","0.0877","0.0917","","","","","","1.062","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117397","9.791","0.002","13.307","0.002","18.432","0.002","90","","90","","90","","2401.5","0.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl Mo N2 O5 Si -","- C20 H23 Cl Mo N2 O5 Si -","- C80 H92 Cl4 Mo4 N8 O20 Si4 -","4","1","","Ramachandran Azhakar; Rajendra S. Ghadwal; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke","Stabilization of Low Valent Silicon Fluorides in the Coordination Sphere of Transition Metals","Journal of the American Chemical Society","2012","134","","2423","2428","10.1021/ja210697p","","","0.5608","AgKα","","0.0558","0.0472","","","0.1175","0.1208","","","","","","1.042","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117398","9.873","0.002","11.621","0.003","13.126","0.001","94.91","0.01","93.04","0.02","97.56","0.01","1484.3","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H31 Cl N2 O5 Si W -","- C27 H31 Cl N2 O5 Si W -","- C54 H62 Cl2 N4 O10 Si2 W2 -","2","1","","Ramachandran Azhakar; Rajendra S. Ghadwal; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke","Stabilization of Low Valent Silicon Fluorides in the Coordination Sphere of Transition Metals","Journal of the American Chemical Society","2012","134","","2423","2428","10.1021/ja210697p","","","0.5608","AgKα","","0.0211","0.0205","","","0.0509","0.0514","","","","","","1.087","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117399","10.538","0.002","18.029","0.001","12.411","0.003","90","","109.13","0.002","90","","2227.7","0.7","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Cr F N2 O5 Si -","- C20 H23 Cr F N2 O5 Si -","- C80 H92 Cr4 F4 N8 O20 Si4 -","4","1","","Ramachandran Azhakar; Rajendra S. Ghadwal; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke","Stabilization of Low Valent Silicon Fluorides in the Coordination Sphere of Transition Metals","Journal of the American Chemical Society","2012","134","","2423","2428","10.1021/ja210697p","","","0.5608","AgKα","","0.0287","0.0253","","","0.067","0.0684","","","","","","1.039","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117400","9.203","0.003","10.28","0.001","13.187","0.002","110.72","0.01","99.33","0.02","91.24","0.04","1147.2","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H23 F N2 O5 Si W -","- C20 H23 F N2 O5 Si W -","- C40 H46 F2 N4 O10 Si2 W2 -","2","1","","Ramachandran Azhakar; Rajendra S. Ghadwal; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke","Stabilization of Low Valent Silicon Fluorides in the Coordination Sphere of Transition Metals","Journal of the American Chemical Society","2012","134","","2423","2428","10.1021/ja210697p","","","0.5608","AgKα","","0.0154","0.0139","","","0.0341","0.0352","","","","","","1.065","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117401","14.9727","0.0008","11.6351","0.0007","14.1303","0.0007","90","","111.331","0.002","90","","2293","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 N4 Pd -","- C24 H38 N4 Pd -","- C96 H152 N16 Pd4 -","4","0.5","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","The Aerobic Oxidation of a Pd(II) Dimethyl Complex Leads to Selective Ethane Elimination from a Pd(III) Intermediate","Journal of the American Chemical Society","2012","134","","2414","2422","10.1021/ja210841f","","","0.71073","MoKα","","0.0339","0.0261","","","0.0681","0.0736","","","","","","1.122","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117402","16.3907","0.0012","7.7425","0.0006","20.3997","0.0016","90","","96.584","0.004","90","","2571.8","0.3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 Cl N4 O4 Pd -","- C24 H38 Cl N4 O4 Pd -","- C96 H152 Cl4 N16 O16 Pd4 -","4","0.5","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","The Aerobic Oxidation of a Pd(II) Dimethyl Complex Leads to Selective Ethane Elimination from a Pd(III) Intermediate","Journal of the American Chemical Society","2012","134","","2414","2422","10.1021/ja210841f","","","0.71073","MoKα","","0.0353","0.0263","","","0.0594","0.0644","","","","","","1.067","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4117403","13.8045","0.0011","17.783","0.0016","23.373","0.002","93.749","0.005","93.389","0.005","110.812","0.004","5331","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H152 F6 N16 O9 Pd4 S2 -","- C98 H152 F6 N16 O9 Pd4 S2 -","- C196 H304 F12 N32 O18 Pd8 S4 -","2","1","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","The Aerobic Oxidation of a Pd(II) Dimethyl Complex Leads to Selective Ethane Elimination from a Pd(III) Intermediate","Journal of the American Chemical Society","2012","134","","2414","2422","10.1021/ja210841f","","","0.71073","MoKα","","0.1226","0.056","","","0.1116","0.1396","","","","","","1.032","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117404","10.177","0.003","10.326","0.003","13.38","0.004","74.828","0.016","71.245","0.013","83.583","0.014","1284.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 N4 O Pd -","- C26 H40 N4 O Pd -","- C52 H80 N8 O2 Pd2 -","2","1","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","The Aerobic Oxidation of a Pd(II) Dimethyl Complex Leads to Selective Ethane Elimination from a Pd(III) Intermediate","Journal of the American Chemical Society","2012","134","","2414","2422","10.1021/ja210841f","","","0.71073","MoKα","","0.1443","0.073","","","0.1594","0.1892","","","","","","0.944","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117405","12.6897","0.0012","15.4709","0.0014","14.5349","0.0013","90","","94.934","0.006","90","","2842.9","0.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C32 H42 N4 Pd -","- C32 H42 N4 Pd -","- C128 H168 N16 Pd4 -","4","1","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","The Aerobic Oxidation of a Pd(II) Dimethyl Complex Leads to Selective Ethane Elimination from a Pd(III) Intermediate","Journal of the American Chemical Society","2012","134","","2414","2422","10.1021/ja210841f","","","0.71073","MoKα","","0.029","0.024","","","0.048","0.0497","","","","","","1.032","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117406","10.2728","0.0002","10.2728","0.0002","28.3123","0.0012","90","","90","","90","","2987.81","0.15","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- In La4 S9 Sb -","- In La4 S9 Sb -","- In8 La32 S72 Sb8 -","8","1","","Hua-Jun Zhao; Yong-Fan Zhang; Ling Chen","Strong Kleinman-Forbidden Second Harmonic Generation in Chiral Sulfide: La4InSbS9","Journal of the American Chemical Society","2012","134","","1993","1995","10.1021/ja2109008","","","0.71073","MoKα","","0.0222","0.0214","","","0.0351","0.0353","","","","","","1.207","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117407","10.1042","0.0016","10.1042","0.0016","27.907","0.006","90","","90","","90","","2849.2","0.9","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- In Pr4 S9 Sb -","- In Pr4 S9 Sb -","- In8 Pr32 S72 Sb8 -","8","1","","Hua-Jun Zhao; Yong-Fan Zhang; Ling Chen","Strong Kleinman-Forbidden Second Harmonic Generation in Chiral Sulfide: La4InSbS9","Journal of the American Chemical Society","2012","134","","1993","1995","10.1021/ja2109008","","","0.71073","MoKα","","0.0187","0.0178","","","0.0336","0.0349","","","","","","0.988","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117408","10.0721","0.0001","10.0721","0.0001","27.8292","0.001","90","","90","","90","","2823.19","0.11","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- In Nd4 S9 Sb -","- In Nd4 S9 Sb -","- In8 Nd32 S72 Sb8 -","8","1","","Hua-Jun Zhao; Yong-Fan Zhang; Ling Chen","Strong Kleinman-Forbidden Second Harmonic Generation in Chiral Sulfide: La4InSbS9","Journal of the American Chemical Society","2012","134","","1993","1995","10.1021/ja2109008","","","0.71073","MoKα","","0.0419","0.0371","","","0.0631","0.0651","","","","","","1.119","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117409","10.7584","0.0009","7.206","0.0006","16.0033","0.0014","90","","98.264","0.003","90","","1227.77","0.18","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Cl N -","- C12 H24 Cl N -","- C48 H96 Cl4 N4 -","4","1","","Sergey V. Pronin; M. Greg Tabor; Daniel J. Jansen; Ryan A. Shenvi","A Stereoselective Hydroamination Transform To Access Polysubstituted Indolizidines","Journal of the American Chemical Society","2012","134","","2012","2015","10.1021/ja211090n","","","0.71073","MoKα","","0.1189","0.0559","","","0.1043","0.1247","","","","","","1.005","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117410","7.9857","0.0008","18.137","0.0019","15.7831","0.0015","90","","90.74","0.004","90","","2285.8","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H32 N4 O7 -","- C21 H32 N4 O7 -","- C84 H128 N16 O28 -","4","1","","Sergey V. Pronin; M. Greg Tabor; Daniel J. Jansen; Ryan A. Shenvi","A Stereoselective Hydroamination Transform To Access Polysubstituted Indolizidines","Journal of the American Chemical Society","2012","134","","2012","2015","10.1021/ja211090n","","","0.71073","MoKα","","0.0789","0.0531","","","0.1421","0.1597","","","","","","1.034","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117411","7.3579","0.0019","16.661","0.004","39.735","0.011","90","","90","","90","","4871","2","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ubsc04","","","- C30 H27 N O2 S -","- C30 H27 N O2 S -","- C240 H216 N8 O16 S8 -","8","2","","Timothy W. Liwosz; Sherry R. Chemler","Copper-Catalyzed Enantioselective Intramolecular Alkene Amination/Intermolecular Heck-Type Coupling Cascade","Journal of the American Chemical Society","2012","134","","2020","2023","10.1021/ja211272v","","","0.71073","MoKα","","0.0777","0.0581","","","0.1198","0.128","","","","","","1.047","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117412","38.7295","0.0019","5.4682","0.0003","20.4124","0.001","90","","115.138","0.001","90","","3913.5","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N5 O2 S3 -","- C20 H17 N5 O2 S3 -","- C160 H136 N40 O16 S24 -","8","1","","Dinesh G. Patel; Fude Feng; Yu-ya Ohnishi; Khalil A. Abboud; So Hirata; Kirk S. Schanze; John R. Reynolds","It Takes More Than an Imine: The Role of the Central Atom on the Electron-Accepting Ability of Benzotriazole and Benzothiadiazole Oligomers","Journal of the American Chemical Society","2012","134","","2599","2612","10.1021/ja207978v","","","0.71073","MoKα","","0.0411","0.0295","","","0.0748","0.079","","","","","","1.02","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117413","5.754547","0.000012","5.754547","0.000012","28.503915","0.000079","90","","90","","120","","817.443","0.003","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ag1.5 F3 Mo Na1.5 O3 -","- Ag1.5 F3 Mo Na1.5 O3 -","- Ag9 F18 Mo6 Na9 O18 -","6","0.333333","","Allyson M. Fry; Harry A. Seibel; Indunil N. Lokuhewa; Patrick M. Woodward","Na1.5Ag1.5MO3F3(M = Mo, W): An Ordered Oxyfluoride Derivative of the LiNbO3Structure","Journal of the American Chemical Society","2012","134","","2621","2625","10.1021/ja208587e","","","","","","","","","","","","","","","","","","","","","has coordinates","288013","2023-12-04","16:58:37",""
"4117414","5.741466","0.000018","5.741466","0.000018","28.63794","0.00011","90","","90","","120","","817.557","0.005","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ag1.5 F3 Na1.5 O3 W -","- Ag1.5 F3 Na1.5 O3 W -","- Ag9 F18 Na9 O18 W6 -","6","0.333333","","Allyson M. Fry; Harry A. Seibel; Indunil N. Lokuhewa; Patrick M. Woodward","Na1.5Ag1.5MO3F3(M = Mo, W): An Ordered Oxyfluoride Derivative of the LiNbO3Structure","Journal of the American Chemical Society","2012","134","","2621","2625","10.1021/ja208587e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117415","10.9711","0.0002","35.2476","0.0007","19.049","0.0004","90","","90.5069","0.0007","90","","7366.1","0.3","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H43 Cl3 N6 -","- C43 H43 Cl3 N6 -","- C344 H344 Cl24 N48 -","8","4","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0327","","","","0.0943","","","","","","0.874","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117416","19.591","0.0008","51.73","0.003","14.2715","0.0005","90","","90.9052","0.001","90","","14461.5","1.1","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91.88 H99.82 Cl12 N15.94 O2 Pd6 -","- C91.88 H84 Cl12 N15.94 O2 Pd6 -","- C367.52 H336 Cl48 N63.76 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0991","","","","0.3164","","","","","","0.93","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117417","19.6178","0.0008","52.238","0.003","14.3202","0.0005","90","","91.2573","0.001","90","","14671.7","1.2","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96.54 H102.39 Cl12 N13.84 O2 Pd6 -","- C96.548 H84 Cl12 N13.843 O2 Pd6 -","- C386.192 H336 Cl48 N55.372 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0965","","","","0.3121","","","","","","0.989","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117418","19.5464","0.0011","51.984","0.003","14.2556","0.0007","90","","91.3359","0.001","90","","14481.2","1.4","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C92.29 H95.19 Br2.1 Cl12 N13 O2 Pd6 -","- C92.288 H84 Br2.096 Cl12 N13 O2 Pd6 -","- C369.152 H336 Br8.384 Cl48 N52 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0976","","","","0.3072","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117419","19.6321","0.0011","52.27","0.003","14.3163","0.0007","90","","90.7813","0.001","90","","14689.6","1.4","99","","99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C94.47 H96.64 Br2.82 Cl12 N13 O2 Pd6 -","- C94.466 H84 Br2.822 Cl12 N13 O2 Pd6 -","- C377.864 H336 Br11.288 Cl48 N52 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0875","","","","0.2783","","","","","","0.961","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117420","19.5941","0.0012","52.174","0.004","14.3018","0.0009","90","","91.0613","0.001","90","","14618.3","1.7","99","","99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90.1 H93.73 Br1.37 Cl12 N13 O2 Pd6 -","- C90.098 H84 Br1.366 Cl12 N13 O2 Pd6 -","- C360.392 H336 Br5.464 Cl48 N52 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.086","","","","0.2788","","","","","","0.911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117421","19.6214","0.0009","52.237","0.003","14.3071","0.0007","90","","90.8429","0.001","90","","14662.7","1.3","98","","98","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C97.35 H98.56 Br3.78 Cl12 N13 O2 Pd6 -","- C97.346 H84 Br3.782 Cl12 N13 O2 Pd6 -","- C389.384 H336 Br15.128 Cl48 N52 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.087","","","","0.2697","","","","","","1.008","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117422","19.26","0.05","51.47","0.1","14.07","0.03","90","","91.03","0.05","90","","13946","5","103","","103","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96.49 H97.99 Br3.5 Cl12 N13 O2 Pd6 -","- C96.488 H84 Br3.496 Cl12 N13 O2 Pd6 -","- C385.952 H336 Br13.984 Cl48 N52 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0976","","","","0.3078","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117423","19.5756","0.0007","51.9794","0.0019","14.3211","0.0005","90","","91.7141","0.001","90","","14565.6","0.9","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C103.66 H107.75 Cl12 N14.87 O2 Pd6 -","- C103.64 H84 Cl12 N14.87 O2 Pd6 -","- C414.56 H336 Cl48 N59.48 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0869","","","","0.2792","","","","","","1.047","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117424","19.5853","0.0014","51.947","0.004","14.3087","0.0009","90","","91.3919","0.001","90","","14553.3","1.8","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C103.87 H106.69 Cl12 N14 O2 Pd6 -","- C103.87 H84 Cl12 N14 O2 Pd6 -","- C415.48 H336 Cl48 N56 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0939","","","","0.3018","","","","","","0.878","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117425","14.3444","0.0006","52.812","0.003","19.7014","0.0009","90","","90.7824","0.001","90","","14923.5","1.3","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C195.13 H207.17 Cl26.51 N27.53 O5.51 Pd12 -","- C194.132 H168 Cl26.509 N27.53 O4.509 Pd12 -","- C388.264 H336 Cl53.018 N55.06 O9.018 Pd24 -","2","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0823","","","","0.2359","","","","","","0.931","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117426","14.3191","0.0003","52.7125","0.001","19.6819","0.0004","90","","90.908","0.001","90","","14853.9","0.5","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C184.79 H197.62 Cl25.19 N27.64 O5.19 Pd12 -","- C184.804 H168 Cl25.188 N27.65 O5.188 Pd12 -","- C369.608 H336 Cl50.376 N55.3 O10.376 Pd24 -","2","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","0.0986","0.0755","","","0.223","0.2444","","","","","","1.042","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117427","14.3425","0.0003","52.8215","0.0011","19.705","0.0004","90","","90.8605","0.0007","90","","14926.7","0.5","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C197.88 H211.03 Cl26.6 N28.55 O5.6 Pd12 -","- C196.928 H168 Cl26.596 N28.55 O4.656 Pd12 -","- C393.856 H336 Cl53.192 N57.1 O9.312 Pd24 -","2","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0843","","","","0.2599","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117428","25.21","0.02","13.12","0.001","11.85","0.01","90","","95.22","0.02","90","","3903","5","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 Fe I2 N6 O0.5 -","- C38 H32 Fe I2 N6 O0.5 -","- C152 H128 Fe4 I8 N24 O2 -","4","0.5","","Adriana Iordache; Mircea Oltean; Anne Milet; Fabrice Thomas; Benoît Baptiste; Eric Saint-Aman; Christophe Bucher","Redox Control of Rotary Motions in Ferrocene-Based Elemental Ball Bearings","Journal of the American Chemical Society","2012","134","","2653","2671","10.1021/ja209766e","","","0.71073","MoKα","","0.0702","0.0702","","0.0771","","0.0771","","","1.904","","","1.904","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117429","10.448","0.002","13.901","0.003","15.153","0.003","101.2","0.03","92.25","0.03","95.77","0.03","2144","0.8","200","2","200","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Fe0.5 I2 N2.5 O0.75 -","- C19 H22 Fe0.5 I2 N2.5 O0.75 -","- C76 H88 Fe2 I8 N10 O3 -","4","2","","Adriana Iordache; Mircea Oltean; Anne Milet; Fabrice Thomas; Benoît Baptiste; Eric Saint-Aman; Christophe Bucher","Redox Control of Rotary Motions in Ferrocene-Based Elemental Ball Bearings","Journal of the American Chemical Society","2012","134","","2653","2671","10.1021/ja209766e","","x-ray","0.71073","MoKα","","0.1102","0.0893","","","0.2206","0.2304","","","","","","1.16","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117430","11.687","0.004","7.864","0.003","31.44","0.01","90","","97.86","0.01","90","","2862.4","1.7","200","","200","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C27 H24 F12 Fe N2 P2 -","- C27 H24 F12 Fe N2 P2 -","- C108 H96 F48 Fe4 N8 P8 -","4","1","","Adriana Iordache; Mircea Oltean; Anne Milet; Fabrice Thomas; Benoît Baptiste; Eric Saint-Aman; Christophe Bucher","Redox Control of Rotary Motions in Ferrocene-Based Elemental Ball Bearings","Journal of the American Chemical Society","2012","134","","2653","2671","10.1021/ja209766e","","","0.71073","MoKα","","0.0513","0.0513","","0.0613","","0.0613","","","1.944","","","1.944","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117431","11.1943","0.0008","11.267","0.0008","13.5411","0.001","72.63","0.001","85.297","0.001","66.5","0.001","1493.47","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N2 O Se -","- C16 H18 N2 O Se -","- C64 H72 N8 O4 Se4 -","4","2","","Javeed Akhtar; Masood Akhtar; Mohammad Azad Malik; Paul O'Brien; James Raftery","A Single-Source Precursor Route to Unusual PbSe Nanostructures by a Solution-Liquid-Solid Method","Journal of the American Chemical Society","2012","134","","2485","2487","10.1021/ja209831n","","","0.71073","MoKα","","0.0477","0.0406","","","0.0854","0.0895","","","","","","1.126","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117432","14.646","0.0008","11.1689","0.0006","10.6985","0.0006","90","","103.614","0.002","90","","1700.89","0.16","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Br N4 O2 S -","- C16 H15 Br N4 O2 S -","- C64 H60 Br4 N16 O8 S4 -","4","1","","Nicklas Selander; Valery V. Fokin","Rhodium(II)-Catalyzed Asymmetric Sulfur(VI) Reduction of Diazo Sulfonylamidines","Journal of the American Chemical Society","2012","134","","2477","2480","10.1021/ja210180q","","","0.71073","MoKα","","0.0376","0.0328","","","0.0924","0.0958","","","","","","1.003","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117433","9.7488","0.0008","8.9169","0.0008","19.246","0.0017","90","","104.633","0.001","90","","1618.8","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Br N2 O2 S -","- C16 H15 Br N2 O2 S -","- C64 H60 Br4 N8 O8 S4 -","4","1","","Nicklas Selander; Valery V. Fokin","Rhodium(II)-Catalyzed Asymmetric Sulfur(VI) Reduction of Diazo Sulfonylamidines","Journal of the American Chemical Society","2012","134","","2477","2480","10.1021/ja210180q","","","0.71073","MoKα","","0.0266","0.0221","","","0.0571","0.0593","","","","","","1.044","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117434","8.974","0.0007","8.3505","0.0007","12.4633","0.001","90","","108.856","0.001","90","","883.84","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O2 S -","- C19 H22 N2 O2 S -","- C38 H44 N4 O4 S2 -","2","1","","Nicklas Selander; Valery V. Fokin","Rhodium(II)-Catalyzed Asymmetric Sulfur(VI) Reduction of Diazo Sulfonylamidines","Journal of the American Chemical Society","2012","134","","2477","2480","10.1021/ja210180q","","","0.71073","MoKα","","0.0277","0.0272","","","0.0732","0.0738","","","","","","1.031","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117435","10.1287","0.0009","11.8446","0.0012","14.014","0.0014","90","","90","","90","","1681.3","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","JFB-02-104","toste33","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Jean-François Brazeau; Suyan Zhang; Ignacio Colomer; Britton K. Corkey; F. Dean Toste","Enantioselective Cyclizations of Silyloxyenynes Catalyzed by Cationic Metal Phosphine Complexes","Journal of the American Chemical Society","2012","134","","2742","2749","10.1021/ja210388g","","","1.54178","CuKα","","0.0263","0.0261","","","0.0697","0.0699","","","","","","1.058","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4117436","9.3322","0.0008","7.1038","0.0006","12.7222","0.0011","90","","107.09","0.003","90","","806.17","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","JFB-03-045","toste40","","- C17 H17 N O7 -","- C17 H17 N O7 -","- C34 H34 N2 O14 -","2","1","","Jean-François Brazeau; Suyan Zhang; Ignacio Colomer; Britton K. Corkey; F. Dean Toste","Enantioselective Cyclizations of Silyloxyenynes Catalyzed by Cationic Metal Phosphine Complexes","Journal of the American Chemical Society","2012","134","","2742","2749","10.1021/ja210388g","","","1.54178","CuKα","","0.0304","0.0302","","","0.083","0.0832","","","","","","1.057","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4117437","6.1292","0.0003","10.4615","0.0004","21.2155","0.0009","90","","90","","90","","1360.35","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 S -","- C14 H20 O2 S -","- C56 H80 O8 S4 -","4","1","","Forest J. Robertson; Jimmy Wu","Phosphorothioic Acids and Related Compounds as Surrogates for H2S-Synthesis of Chiral Tetrahydrothiophenes","Journal of the American Chemical Society","2012","134","","2775","2780","10.1021/ja210758n","","x-ray","1.54178","CuKα","","0.0771","0.0518","","","0.1119","0.1214","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117438","14.8369","0.0012","14.6098","0.0012","27.373","0.002","90","","103.276","0.001","90","","5774.9","0.8","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","Mo(NAr)(CHCMe2Ph)(2,5-Me2Pyr)(monoBitet)","","","- C59 H82 Br2 Mo N2 O2 Si -","- C59 H82 Br2 Mo N2 O2 Si -","- C236 H328 Br8 Mo4 N8 O8 Si4 -","4","2","","Miao Yu; Ismail Ibrahem; Masayuki Hasegawa; Richard R. Schrock; Amir H. Hoveyda","Enol Ethers as Substrates for EfficientZ- and Enantioselective Ring-Opening/Cross-Metathesis Reactions Promoted by Stereogenic-at-Mo Complexes: Utility in Chemical Synthesis and Mechanistic Attributes","Journal of the American Chemical Society","2012","134","","2788","2799","10.1021/ja210946z","","","0.71073","MoKα","","0.0418","0.0319","","","0.0723","0.0766","","","","","","1.023","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117439","11.1036","0.0009","12.5845","0.0011","20.5049","0.0017","90","","100.568","0.001","90","","2816.6","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C59 H82 Br2 Mo N2 O2 Si -","- C59 H82 Br2 Mo N2 O2 Si -","- C118 H164 Br4 Mo2 N4 O4 Si2 -","2","1","","Miao Yu; Ismail Ibrahem; Masayuki Hasegawa; Richard R. Schrock; Amir H. Hoveyda","Enol Ethers as Substrates for EfficientZ- and Enantioselective Ring-Opening/Cross-Metathesis Reactions Promoted by Stereogenic-at-Mo Complexes: Utility in Chemical Synthesis and Mechanistic Attributes","Journal of the American Chemical Society","2012","134","","2788","2799","10.1021/ja210946z","","","0.71073","MoKα","","0.0257","0.0237","","","0.0531","0.0535","","","","","","0.941","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117440","8.07317","0.00017","8.55027","0.00017","16.8646","0.0003","90","","98.677","0.0019","90","","1150.8","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H26 Br Cl N2 O2 -","- C25 H26 Br Cl N2 O2 -","- C50 H52 Br2 Cl2 N4 O4 -","2","1","","Łukasz Albrecht; Gustav Dickmeiss; Fabio Cruz Acosta; Carles Rodríguez-Escrich; Rebecca L. Davis; Karl Anker Jørgensen","Asymmetric Organocatalytic Formal [2 + 2]-Cycloadditions via Bifunctional H-Bond Directing Dienamine Catalysis","Journal of the American Chemical Society","2012","134","","2543","2546","10.1021/ja211878x","","","0.7107","MoKα","","0.0349","0.0304","","","0.0629","0.0654","","","","","","1.043","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117441","9.9088","0.0002","12.3092","0.0003","17.7168","0.0004","90","","93.0773","0.001","90","","2157.79","0.08","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Al Cl Fe N2 O2 -","- C20 H24 Al Cl Fe N2 O2 -","- C80 H96 Al4 Cl4 Fe4 N8 O8 -","4","1","","Ian M. Riddlestone; Siân Edmonds; Paul A. Kaufman; Juan Urbano Baena; Joshua I. Bates; Michael J. Kelly; Amber L. Thompson; Russell Taylor; Simon Aldridge","σ-Alane Complexes of Chromium, Tungsten, and Manganese","Journal of the American Chemical Society","2012","134","","2551","2554","10.1021/ja2119892","","","0.71073","MoKα","","0.0675","0.0458","","0.1365","0.1224","0.1365","","","","","","0.9274","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117442","9.9819","0.0002","10.0605","0.0002","12.3107","0.0003","83.6209","0.0008","69.1742","0.0008","76.6715","0.001","1123.8","0.04","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H27 Al Cl Mn N2 O2 -","- C21 H27 Al Cl Mn N2 O2 -","- C42 H54 Al2 Cl2 Mn2 N4 O4 -","2","1","","Ian M. Riddlestone; Siân Edmonds; Paul A. Kaufman; Juan Urbano Baena; Joshua I. Bates; Michael J. Kelly; Amber L. Thompson; Russell Taylor; Simon Aldridge","σ-Alane Complexes of Chromium, Tungsten, and Manganese","Journal of the American Chemical Society","2012","134","","2551","2554","10.1021/ja2119892","","","0.71073","MoKα","","0.0517","0.034","","0.0711","0.0571","0.0711","","","","","","0.9218","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117443","10.1264","0.0001","20.4974","0.0003","16.7518","0.0002","90","","103.604","0.0006","90","","3379.53","0.07","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H50 Al Mn N2 O2 -","- C37 H50 Al Mn N2 O2 -","- C148 H200 Al4 Mn4 N8 O8 -","4","1","","Ian M. Riddlestone; Siân Edmonds; Paul A. Kaufman; Juan Urbano Baena; Joshua I. Bates; Michael J. Kelly; Amber L. Thompson; Russell Taylor; Simon Aldridge","σ-Alane Complexes of Chromium, Tungsten, and Manganese","Journal of the American Chemical Society","2012","134","","2551","2554","10.1021/ja2119892","","","0.71073","MoKα","","0.0722","0.039","","0.0821","0.0607","0.0821","","","","","","0.9834","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117444","10.64322","0.0001","19.59951","0.00019","18.60077","0.00018","90","","98.4228","0.0009","90","","3838.31","0.06","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 Al N3 O5 W -","- C36 H50 Al N3 O5 W -","- C144 H200 Al4 N12 O20 W4 -","4","1","","Ian M. Riddlestone; Siân Edmonds; Paul A. Kaufman; Juan Urbano Baena; Joshua I. Bates; Michael J. Kelly; Amber L. Thompson; Russell Taylor; Simon Aldridge","σ-Alane Complexes of Chromium, Tungsten, and Manganese","Journal of the American Chemical Society","2012","134","","2551","2554","10.1021/ja2119892","","","1.5418","CuKα","","0.0286","0.0272","","0.042","0.0418","0.042","","","","","","1.4791","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117445","17.5944","0.0002","21.1678","0.0003","9.0757","0.0001","90","","90","","90","","3380.11","0.07","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C33.11 H43 Al Cr N2 O4.11 -","- C33.1141 H43 Al Cr N2 O4.1141 -","- C132.456 H172 Al4 Cr4 N8 O16.4564 -","4","0.5","","Ian M. Riddlestone; Siân Edmonds; Paul A. Kaufman; Juan Urbano Baena; Joshua I. Bates; Michael J. Kelly; Amber L. Thompson; Russell Taylor; Simon Aldridge","σ-Alane Complexes of Chromium, Tungsten, and Manganese","Journal of the American Chemical Society","2012","134","","2551","2554","10.1021/ja2119892","","","0.71073","MoKα","","0.0569","0.0456","","0.1103","0.1025","0.1103","","","","","","0.9421","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117446","13.057","0.003","12.612","0.003","15.7","0.003","90","","90","","90","","2585.4","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H15 B2 Cl F8 N2 -","- C7 H15 B2 Cl F8 N2 -","- C56 H120 B16 Cl8 F64 N16 -","8","1","","Quentin Michaudel; Damien Thevenet; Phil S. Baran","Intermolecular Ritter-Type C-H Amination of Unactivated sp3Carbons","Journal of the American Chemical Society","2012","134","","2547","2550","10.1021/ja212020b","","","0.71073","MoKα","","0.105","0.0979","","","0.2369","0.2406","","","","","","1.216","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117447","8.3933","0.0004","9.6118","0.0004","18.5236","0.0008","85.815","0.002","85.653","0.002","89.719","0.002","1486.11","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H24 N2 O3 -","- C13 H24 N2 O3 -","- C52 H96 N8 O12 -","4","2","","Quentin Michaudel; Damien Thevenet; Phil S. Baran","Intermolecular Ritter-Type C-H Amination of Unactivated sp3Carbons","Journal of the American Chemical Society","2012","134","","2547","2550","10.1021/ja212020b","","","0.71073","MoKα","","0.0874","0.0492","","","0.1099","0.1245","","","","","","1.025","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117448","9.7378","0.0008","12.9988","0.0011","10.2003","0.0009","90","","108.491","0.006","90","","1224.49","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H21 N O2 -","- C12 H21 N O2 -","- C48 H84 N4 O8 -","4","2","","Quentin Michaudel; Damien Thevenet; Phil S. Baran","Intermolecular Ritter-Type C-H Amination of Unactivated sp3Carbons","Journal of the American Chemical Society","2012","134","","2547","2550","10.1021/ja212020b","","","1.54178","CuKα","","0.0709","0.0625","","","0.1678","0.1794","","","","","","1.017","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117449","8.795","0.002","8.795","","27.918","0.009","90","","90","","90","","2159.5","0.9","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H12 Co N10 O4 -","- C20 H12 Co N10 O4 -","- C80 H48 Co4 N40 O16 -","4","0.25","","Matthew G. Cowan; Juan Olguín; Suresh Narayanaswamy; Jeffery L. Tallon; Sally Brooker","Reversible Switching of a Cobalt Complex by Thermal, Pressure, and Electrochemical Stimuli: Abrupt, Complete, Hysteretic Spin Crossover","Journal of the American Chemical Society","2012","134","","2892","2894","10.1021/ja208429u","","","0.71073","MoKα","","0.0657","0.0469","","","0.1214","0.1338","","","","","","1.02","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117450","8.668","0.005","27.656","0.014","8.514","0.005","90","","91.52","0.03","90","","2040","2","89","2","89","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Co N10 O4 -","- C20 H12 Co N10 O4 -","- C80 H48 Co4 N40 O16 -","4","1","","Matthew G. Cowan; Juan Olguín; Suresh Narayanaswamy; Jeffery L. Tallon; Sally Brooker","Reversible Switching of a Cobalt Complex by Thermal, Pressure, and Electrochemical Stimuli: Abrupt, Complete, Hysteretic Spin Crossover","Journal of the American Chemical Society","2012","134","","2892","2894","10.1021/ja208429u","","","0.71073","MoKα","","0.1742","0.1244","","","0.329","0.3561","","","","","","1.104","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117451","5.7034","0.0008","26.89","0.004","18.2435","0.0019","90","","100.429","0.004","90","","2751.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ag2069","","","- C14 H17 N O5 -","- C14 H17 N O5 -","- C112 H136 N8 O40 -","8","2","","P. Andrew Evans; Aleksandr Grisin; Michael J. Lawler","Diastereoselective Construction of syn-1,3-Dioxanes via a Bismuth-Mediated Two-Component Hemiacetal/Oxa-Conjugate Addition Reaction","Journal of the American Chemical Society","2012","134","","2856","2859","10.1021/ja208668u","","","0.71073","MoKα","","0.0843","0.0476","","","0.0966","0.1052","","","","","","1.055","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117452","5.32356","0.00014","5.32356","","5.32356","","90","","90","","90","","150.871","0.004","298","","298","","","","","","","","Syn","2","F m -3 m","-F 4 2 3","225","Neptunium dinitride","Neptunium dinitride","","- N2 Np -","- N2 Np -","- N8 Np4 -","4","0.0208333","","G. W. Chinthaka Silva; Philippe F. Weck; Eunja Kim; Charles B. Yeamans; Gary S. Cerefice; Alfred P. Sattelberger; Kenneth R. Czerwinski","Crystal and Electronic Structures of Neptunium Nitrides Synthesized Using a Fluoride Route","Journal of the American Chemical Society","2012","134","","3111","3119","10.1021/ja209503n","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.0864","","0.73","","","","","","","has coordinates,has Fobs","178945","2020-10-21","18:00:00",""
"4117453","10.6513","0.0004","10.6513","","10.6513","","90","","90","","90","","1208.39","0.05","298","","298","","","","","","","","Syn","2","I a -3","-I 2b 2c 3","206","Neptunium nitride","Neptunium nitride","","- N3 Np2 -","- N3 Np2 -","- N48 Np32 -","16","0.333333","","G. W. Chinthaka Silva; Philippe F. Weck; Eunja Kim; Charles B. Yeamans; Gary S. Cerefice; Alfred P. Sattelberger; Kenneth R. Czerwinski","Crystal and Electronic Structures of Neptunium Nitrides Synthesized Using a Fluoride Route","Journal of the American Chemical Society","2012","134","","3111","3119","10.1021/ja209503n","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.04038","","0.93","","","","","","","has coordinates,has Fobs","178945","2020-10-21","18:00:00",""
"4117454","11.1437","0.0004","14.7636","0.0005","16.2934","0.0005","88.263","0.001","75.834","0.001","74.699","0.001","2505.28","0.15","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Sc2C2@C80Ad-A","","","- C97.8 H17.3 Cl1.65 S1.7 Sc2 -","- C97.8 H17.3 Cl1.65 S1.7 Sc1.999 -","- C195.6 H34.6 Cl3.3 S3.4 Sc3.998 -","2","1","","Hiroki Kurihara; Xing Lu; Yuko Iiduka; Hidefumi Nikawa; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka","Chemical Understanding of Carbide Cluster Metallofullerenes: A Case Study on Sc2C2@C2v(5)-C80 with Complete X-ray Crystallographic Characterizations","Journal of the American Chemical Society","2012","134","","3139","3144","10.1021/ja210101f","","","0.71073","MoKα","","0.1259","0.099","","","0.2675","0.2948","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117455","11.13","0.002","14.73","0.004","16.508","0.004","88.207","0.012","74.636","0.011","74.459","0.011","2512","1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Sc2C2@C80Ad-B","","","- C98.5 H18 Cl2 S Sc2 -","- C98.5 H18 Cl2 S Sc2.001 -","- C197 H36 Cl4 S2 Sc4.002 -","2","1","","Hiroki Kurihara; Xing Lu; Yuko Iiduka; Hidefumi Nikawa; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka","Chemical Understanding of Carbide Cluster Metallofullerenes: A Case Study on Sc2C2@C2v(5)-C80 with Complete X-ray Crystallographic Characterizations","Journal of the American Chemical Society","2012","134","","3139","3144","10.1021/ja210101f","","","1","synchrotron","","0.1558","0.1185","","","0.354","0.3791","","","","","","1.436","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117456","11.1166","0.0001","21.7692","0.0003","21.0084","0.0003","90","","99.822","0.001","90","","5009.5","0.11","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sc2C2@C80Ad-C","","","- C98.5 H18 Cl2 S Sc2 -","- C98.5 H18 Cl2 S Sc2 -","- C394 H72 Cl8 S4 Sc8 -","4","1","","Hiroki Kurihara; Xing Lu; Yuko Iiduka; Hidefumi Nikawa; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka","Chemical Understanding of Carbide Cluster Metallofullerenes: A Case Study on Sc2C2@C2v(5)-C80 with Complete X-ray Crystallographic Characterizations","Journal of the American Chemical Society","2012","134","","3139","3144","10.1021/ja210101f","","","0.71073","MoKα","","0.0794","0.0655","","","0.1752","0.1903","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117457","10.9836","0.0002","21.6821","0.0004","21.2588","0.0004","90","","100.223","0.001","90","","4982.36","0.16","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sc2C2@C80Ad-G","","","- C97.3 H16.8 Cl1.4 S2.2 Sc2 -","- C97.3 H16.8 Cl1.4 S2.2 Sc2 -","- C389.2 H67.2 Cl5.6 S8.8 Sc8 -","4","1","","Hiroki Kurihara; Xing Lu; Yuko Iiduka; Hidefumi Nikawa; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka","Chemical Understanding of Carbide Cluster Metallofullerenes: A Case Study on Sc2C2@C2v(5)-C80 with Complete X-ray Crystallographic Characterizations","Journal of the American Chemical Society","2012","134","","3139","3144","10.1021/ja210101f","","","0.71073","MoKα","","0.0731","0.0552","","","0.1335","0.1457","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117458","10.6993","0.0005","15.4039","0.0006","12.9476","0.0006","90","","109.992","0.002","90","","2005.32","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Co(DO)(DOH)pn(OH2)2](ClO4)2","","","- C11 H23 Cl2 Co N4 O12 -","- C11 H23 Cl2 Co N4 O12 -","- C44 H92 Cl8 Co4 N16 O48 -","4","1","","Charles C. L. McCrory; Christopher Uyeda; Jonas C. Peters","Electrocatalytic Hydrogen Evolution in Acidic Water with Molecular Cobalt Tetraazamacrocycles","Journal of the American Chemical Society","2012","134","","3164","3170","10.1021/ja210661k","","","0.71073","MoKα","","0.0433","0.0288","","","0.0737","0.0809","","","","","","1.027","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117459","16.0293","0.0001","16.672","0.0004","23.1824","0.0002","90","","107.661","0.0004","90","","5903.28","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 F6 N2 O2 S2 -","- C26 H22 F6 N2 O2 S2 -","- C208 H176 F48 N16 O16 S16 -","8","2","","Joel F. Hooper; Adrian B. Chaplin; Carlos González-Rodríguez; Amber L. Thompson; Andrew S. Weller; Michael C. Willis","Aryl Methyl Sulfides as Substrates for Rhodium-Catalyzed Alkyne Carbothiolation: Arene Functionalization with Activating Group Recycling","Journal of the American Chemical Society","2012","134","","2906","2909","10.1021/ja2108992","","","0.71073","MoKα","","0.0637","0.0487","","","0.1409","0.1494","","","","","","1.068","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117460","13.8935","0.0004","13.9569","0.0004","18.8869","0.0005","106.288","0.002","99.363","0.002","92.169","0.002","3455.04","0.17","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H50 B F24 O P2 Rh -","- C76 H50 B F24 O P2 Rh -","- C152 H100 B2 F48 O2 P4 Rh2 -","2","1","","Joel F. Hooper; Adrian B. Chaplin; Carlos González-Rodríguez; Amber L. Thompson; Andrew S. Weller; Michael C. Willis","Aryl Methyl Sulfides as Substrates for Rhodium-Catalyzed Alkyne Carbothiolation: Arene Functionalization with Activating Group Recycling","Journal of the American Chemical Society","2012","134","","2906","2909","10.1021/ja2108992","","","1.54184","CuKα","","0.0746","0.0642","","0.1827","0.1697","0.1827","","","","","","0.9882","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117461","11.6512","0.0003","18.6314","0.0006","19.4202","0.0008","117.813","0.004","91.16","0.003","102.919","0.003","3596.2","0.3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C77 H50 B F24 O2 P2 Rh S -","- C77 H50 B F24 O2 P2 Rh S -","- C154 H100 B2 F48 O4 P4 Rh2 S2 -","2","1","","Joel F. Hooper; Adrian B. Chaplin; Carlos González-Rodríguez; Amber L. Thompson; Andrew S. Weller; Michael C. Willis","Aryl Methyl Sulfides as Substrates for Rhodium-Catalyzed Alkyne Carbothiolation: Arene Functionalization with Activating Group Recycling","Journal of the American Chemical Society","2012","134","","2906","2909","10.1021/ja2108992","","","0.6889","Synchrotron","","0.0966","0.0804","","0.2405","0.216","0.2405","","","","","","0.9382","","","","has coordinates,has disorder","288252","2023-12-12","14:26:24",""
"4117462","12.068","0.0011","22.5648","0.0018","7.3024","0.0007","90","","93.583","0.009","90","","1984.6","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F3 O4 S2 -","- C19 H19 F3 O4 S2 -","- C76 H76 F12 O16 S8 -","4","1","","Joel F. Hooper; Adrian B. Chaplin; Carlos González-Rodríguez; Amber L. Thompson; Andrew S. Weller; Michael C. Willis","Aryl Methyl Sulfides as Substrates for Rhodium-Catalyzed Alkyne Carbothiolation: Arene Functionalization with Activating Group Recycling","Journal of the American Chemical Society","2012","134","","2906","2909","10.1021/ja2108992","","","1.5418","CuKα","","0.1094","0.0723","","0.2064","0.1743","0.2064","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117463","24.60237","0.00014","24.60237","","24.60237","","90","","90","","90","","14891.2","0.08","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Bi0.04 Na0.14 O2 Si -","- Bi0.0437667 Na0.135583 O2 Si -","- Bi8.4032 Na26.032 O384 Si192 -","192","1","","Hong-Tao Sun; Yoshitaka Matsushita; Yoshio Sakka; Naoto Shirahata; Masahiko Tanaka; Yoshio Katsuya; Hong Gao; Keisuke Kobayashi","Synchrotron X-ray, Photoluminescence, and Quantum Chemistry Studies of Bismuth-Embedded Dehydrated Zeolite Y","Journal of the American Chemical Society","2012","134","","2918","2921","10.1021/ja211426b","powder diffraction","x-ray","0.653","","","","","","","","","0.16459","","0.84","","","","","","","has coordinates,has Fobs","178945","2020-10-21","18:00:00",""
"4117464","18.3988","0.0014","18.6925","0.0014","19.076","0.002","94.796","0.002","116.638","0.002","116.175","0.001","4928.5","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C128 H197 Ag38 Cl18 O50 -","- C128 H197 Ag38 Cl18 O50 -","- C128 H197 Ag38 Cl18 O50 -","1","0.5","","Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak","Enlargement of Globular Silver Alkynide Cluster via Core Transformation","Journal of the American Chemical Society","2012","134","","2922","2925","10.1021/ja211438q","","","0.71073","MoKα","","0.0491","0.0338","","","0.07","0.0799","","","","","","1.108","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117465","32.884","0.003","20.3223","0.0018","33.95","0.003","90","","91.106","0.002","90","","22684","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C172 H246 Ag38 Cl18 O51 -","- C172 H246 Ag38 Cl18 O51 -","- C688 H984 Ag152 Cl72 O204 -","4","0.5","","Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak","Enlargement of Globular Silver Alkynide Cluster via Core Transformation","Journal of the American Chemical Society","2012","134","","2922","2925","10.1021/ja211438q","","","0.71073","MoKα","","0.051","0.0393","","","0.1016","0.1121","","","","","","1.123","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117466","25.8259","0.0015","25.8259","0.0015","12.3664","0.0007","90","","90","","120","","7143.1","0.7","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H132 Ag14 Cl2 -","- C96 H132 Ag14 Cl2 -","- C288 H396 Ag42 Cl6 -","3","0.166667","","Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak","Enlargement of Globular Silver Alkynide Cluster via Core Transformation","Journal of the American Chemical Society","2012","134","","2922","2925","10.1021/ja211438q","","","0.71073","MoKα","","0.0285","0.0255","","","0.0654","0.0675","","","","","","1.05","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117467","24.4626","0.0014","24.4626","0.0014","14.0339","0.0007","90","","90","","120","","7273","0.7","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Ag14 Cl2 -","- C96 H126 Ag14 Cl2 -","- C288 H378 Ag42 Cl6 -","3","0.166667","","Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak","Enlargement of Globular Silver Alkynide Cluster via Core Transformation","Journal of the American Chemical Society","2012","134","","2922","2925","10.1021/ja211438q","","","0.71073","MoKα","","0.0577","0.0435","","","0.1068","0.1185","","","","","","1.04","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117468","24.5343","0.0015","24.5343","0.0015","13.9815","0.0009","90","","90","","120","","7288.4","0.8","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C96 H132 Ag14 Br N O3 -","- C96 H132 Ag14 Br N O3 -","- C288 H396 Ag42 Br3 N3 O9 -","3","0.166667","","Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak","Enlargement of Globular Silver Alkynide Cluster via Core Transformation","Journal of the American Chemical Society","2012","134","","2922","2925","10.1021/ja211438q","","","0.71073","MoKα","","0.034","0.0324","","","0.0819","0.0839","","","","","","1.105","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117469","21.4318","0.0009","21.4318","0.0009","13.767","0.0006","90","","90","","120","","5476.3","0.4","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H84 Ag14 Cl N O3 -","- C60 H84 Ag14 Cl N O3 -","- C180 H252 Ag42 Cl3 N3 O9 -","3","0.166667","","Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak","Enlargement of Globular Silver Alkynide Cluster via Core Transformation","Journal of the American Chemical Society","2012","134","","2922","2925","10.1021/ja211438q","","","0.71073","MoKα","","0.0269","0.0259","","","0.0654","0.0662","","","","","","1.089","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117470","9.7263","0.0015","14.74","0.002","14.927","0.002","79.451","0.003","81.489","0.003","81.424","0.003","2064.2","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H28 B10 -","- C17 H25.5 B10 -","- C68 H102 B40 -","4","2","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.1151","0.0706","","","0.1909","0.2312","","","","","","1.059","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117471","9.7765","0.0017","10.1792","0.0017","13.111","0.002","82.254","0.003","81.311","0.003","62.982","0.003","1145.8","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H38 B10 -","- C18 H38 B10 -","- C36 H76 B20 -","2","1","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.1338","0.0653","","","0.1559","0.1968","","","","","","1.004","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117472","11.337","0.0019","10.6235","0.0018","19.108","0.003","90","","106.542","0.003","90","","2206.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 B10 O -","- C18 H30 B10 O -","- C72 H120 B40 O4 -","4","1","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.0816","0.0524","","","0.1329","0.1603","","","","","","1.026","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117473","9.533","0.002","18.412","0.004","13.318","0.003","90","","102.604","0.004","90","","2281.3","0.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 B10 -","- C19 H30 B10 -","- C76 H120 B40 -","4","1","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.1104","0.0552","","","0.1385","0.1712","","","","","","1.001","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117474","10.693","0.003","10.693","0.003","37.114","0.011","90","","90","","120","","3675.1","1.8","293","2","293","2","","","","","","","","4","P 65","P 65","170","","","","- C17 H38 B10 Si -","- C17 H38 B10 Si -","- C102 H228 B60 Si6 -","6","1","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.0867","0.055","","","0.1356","0.158","","","","","","1.066","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117475","13.579","0.002","13.033","0.002","14.93","0.002","90","","113.184","0.003","90","","2428.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H34 B10 Si -","- C19 H34 B10 Si -","- C76 H136 B40 Si4 -","4","1","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.0985","0.0544","","","0.1403","0.1745","","","","","","1.062","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117476","11.8291","0.0018","16.137","0.002","14.117","0.002","90","","108.298","0.003","90","","2558.5","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 B10 -","- C23 H32 B10 -","- C92 H128 B40 -","4","1","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.1241","0.062","","","0.1586","0.2087","","","","","","1.016","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117477","11.068","0.016","21.3","0.03","20.99","0.03","90","","90.45","0.03","90","","4948","12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H52 B10 Ni P2 -","- C49 H52 B10 Ni P2 -","- C196 H208 B40 Ni4 P8 -","4","1","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.1029","0.0578","","","0.1484","0.1796","","","","","","1.008","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117478","11.069","0.002","11.566","0.002","12.627","0.003","86.47","0.03","85.08","0.03","72.08","0.03","1531.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H39 N3 O2 S -","- C34 H39 N3 O2 S -","- C68 H78 N6 O4 S2 -","2","1","","Yang Wang; Yue Chi; Wen-Xiong Zhang; Zhenfeng Xi","Regioselective Ring Expansion of 2,4-Diiminoazetidines via Cleavage of C-N and C(sp3)-H Bonds: Efficient Construction of 2,3-Dihydropyrimidinesulfonamides","Journal of the American Chemical Society","2012","134","","2926","2929","10.1021/ja211486f","","","0.71073","MoKα","","0.1199","0.0454","","","0.084","0.1069","","","","","","0.998","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117479","11.426","0.002","19.715","0.004","12.377","0.003","90","","112.44","0.03","90","","2577","1.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cl N3 O2 S -","- C28 H34 Cl N3 O2 S -","- C112 H136 Cl4 N12 O8 S4 -","4","1","","Yang Wang; Yue Chi; Wen-Xiong Zhang; Zhenfeng Xi","Regioselective Ring Expansion of 2,4-Diiminoazetidines via Cleavage of C-N and C(sp3)-H Bonds: Efficient Construction of 2,3-Dihydropyrimidinesulfonamides","Journal of the American Chemical Society","2012","134","","2926","2929","10.1021/ja211486f","","","0.71073","MoKα","","0.0979","0.0448","","","0.0839","0.1178","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117480","6.3036","0.0012","28.939","0.006","14.11","0.003","90","","92.971","0.003","90","","2570.5","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H37 N3 O2 S -","- C29 H37 N3 O2 S -","- C116 H148 N12 O8 S4 -","4","1","","Yang Wang; Yue Chi; Wen-Xiong Zhang; Zhenfeng Xi","Regioselective Ring Expansion of 2,4-Diiminoazetidines via Cleavage of C-N and C(sp3)-H Bonds: Efficient Construction of 2,3-Dihydropyrimidinesulfonamides","Journal of the American Chemical Society","2012","134","","2926","2929","10.1021/ja211486f","","","0.71073","MoKα","","0.0749","0.0653","","","0.1348","0.1415","","","","","","1.132","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117481","5.94197","0.00004","10.24152","0.00006","14.97189","0.00011","90","","92.3182","0.0006","90","","910.366","0.011","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba3 Bi Ir2 O9 -","- Ba3 Bi Ir2 O9 -","- Ba12 Bi4 Ir8 O36 -","4","0.5","","Wojciech Miiller; Maxim Avdeev; Qingdi Zhou; Brendan J. Kennedy; Neeraj Sharma; Ramzi Kutteh; Gordon J. Kearley; Siegber Schmid; Kevin S. Knight; Peter E. R. Blanchard; Chris D. Ling","Giant Magnetoelastic Effect at the Opening of a Spin-Gap in Ba3BiIr2O9","Journal of the American Chemical Society","2012","134","","3265","3270","10.1021/ja211517h","powder diffraction","neutron","","","","","","","","","","0.12226","","2.15","","","","","","","has coordinates,has Fobs","178945","2020-10-21","18:00:00",""
"4117482","3.02032","0.00011","3.02032","","3.02032","","90","","90","","90","","27.5524","0.001","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Wojciech Miiller; Maxim Avdeev; Qingdi Zhou; Brendan J. Kennedy; Neeraj Sharma; Ramzi Kutteh; Gordon J. Kearley; Siegber Schmid; Kevin S. Knight; Peter E. R. Blanchard; Chris D. Ling","Giant Magnetoelastic Effect at the Opening of a Spin-Gap in Ba3BiIr2O9","Journal of the American Chemical Society","2012","134","","3265","3270","10.1021/ja211517h","powder diffraction","neutron","","","","","","","","","","0.12226","","2.15","","","","","","","has coordinates,has Fobs","178945","2020-10-21","18:00:00",""
"4117483","5.94251","0.00006","10.24416","0.00008","14.972","0.0002","90","","92.2969","0.0007","90","","910.704","0.017","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba3 Bi Ir2 O9 -","- Ba3 Bi Ir2 O9 -","- Ba12 Bi4 Ir8 O36 -","4","0.5","","Wojciech Miiller; Maxim Avdeev; Qingdi Zhou; Brendan J. Kennedy; Neeraj Sharma; Ramzi Kutteh; Gordon J. Kearley; Siegber Schmid; Kevin S. Knight; Peter E. R. Blanchard; Chris D. Ling","Giant Magnetoelastic Effect at the Opening of a Spin-Gap in Ba3BiIr2O9","Journal of the American Chemical Society","2012","134","","3265","3270","10.1021/ja211517h","powder diffraction","neutron","","","","","","","","","","0.16956","","2.28","","","","","","","has coordinates,has Fobs","178945","2020-10-21","18:00:00",""
"4117484","5.93816","0.00005","10.24207","0.00008","14.85187","0.00017","90","","92.2902","0.0006","90","","902.555","0.015","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba3 Bi Ir2 O9 -","- Ba3 Bi Ir2 O9 -","- Ba12 Bi4 Ir8 O36 -","4","0.5","","Wojciech Miiller; Maxim Avdeev; Qingdi Zhou; Brendan J. Kennedy; Neeraj Sharma; Ramzi Kutteh; Gordon J. Kearley; Siegber Schmid; Kevin S. Knight; Peter E. R. Blanchard; Chris D. Ling","Giant Magnetoelastic Effect at the Opening of a Spin-Gap in Ba3BiIr2O9","Journal of the American Chemical Society","2012","134","","3265","3270","10.1021/ja211517h","powder diffraction","neutron","","","","","","","","","","0.14624","","2.03","","","","","","","has coordinates,has Fobs","178945","2020-10-21","18:00:00",""
"4117485","20.2808","0.001","31.1535","0.0014","13.2331","0.0007","90","","90","","90","","8360.9","0.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C68 H60 Ag4 Au4 B4 F16 N8 S8 -","- C68 H60 Ag4 Au4 B4 F16 N8 S8 -","- C272 H240 Ag16 Au16 B16 F64 N32 S32 -","4","1","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","1.54178","CuKα","","0.0853","0.0823","","","0.2051","0.2078","","","","","","1.118","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117486","18.5786","0.0006","9.3933","0.0002","28.6536","0.0009","90","","94.522","0.003","90","","4984.9","0.2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H39 Ag3 F6 N6 S6 -","- C51 H39 Ag3 F6 N6 S6 -","- C204 H156 Ag12 F24 N24 S24 -","4","1","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","0.71073","MoKα","","0.0962","0.0786","","","0.1862","0.1915","","","","","","1.326","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117487","17.0349","0.0005","35.2215","0.0008","16.1138","0.0005","90","","92.411","0.003","90","","9659.6","0.5","133","2","133","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C68 H52 Ag4 Au4 B4 F24 N8 S8 -","- C68 H52 Ag4 Au4 B4 F24 N8 S8 -","- C272 H208 Ag16 Au16 B16 F96 N32 S32 -","4","1","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","0.71073","MoKα","","0.0613","0.045","","","0.1103","0.1165","","","","","","1.03","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117488","31.0857","0.0005","13.319","0.0003","29.7191","0.0005","90","","118.078","0.001","90","","10856.5","0.4","133","2","133","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C96 H84 Ag4 Au4 B4 Cl8 F16 N8 S8 -","- C96 H84 Ag4 Au4 B4 Cl8 F16 N8 S8 -","- C384 H336 Ag16 Au16 B16 Cl32 F64 N32 S32 -","4","0.5","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","0.71073","MoKα","","0.0381","0.0356","","","0.0889","0.0901","","","","","","1.168","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117489","14.0463","0.0004","15.4461","0.0004","16.3208","0.0005","112.674","0.001","93.402","0.001","108.513","0.001","3030.65","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H57 Ag3 N6 S6 -","- C69 H57 Ag3 N6 S6 -","- C138 H114 Ag6 N12 S12 -","2","1","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","1.54178","CuKα","","0.0358","0.0286","","","0.0702","0.0754","","","","","","1.065","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117490","9.2851","0.0003","30.0971","0.0009","37.5323","0.0009","90","","90","","90","","10488.6","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C51 H39 Au3 F6 N6 S6 -","- C51 H39 Au3 F6 N6 S6 -","- C408 H312 Au24 F48 N48 S48 -","8","1","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","1.54178","CuKα","","0.1099","0.0997","","","0.2611","0.2699","","","","","","1.144","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117491","11.31","0.002","18.114","0.004","18.672","0.004","112.73","0.03","106.9","0.03","96.19","0.03","3269.1","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H65 Au3 N6 O S6 -","- C73 H65 Au3 N6 O S6 -","- C146 H130 Au6 N12 O2 S12 -","2","1","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","1.54178","CuKα","","0.084","0.0749","","","0.1955","0.2067","","","","","","1.091","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117492","10.592","0.005","13.611","0.007","18.762","0.009","90","","90","","90","","2705","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 Cu N3 O5 -","- C31 H29 Cu N3 O5 -","- C124 H116 Cu4 N12 O20 -","4","1","","Qing-Hai Deng; Hubert Wadepohl; Lutz H. Gade","Highly Enantioselective Copper-Catalyzed Alkylation of β-Ketoesters and Subsequent Cyclization to Spirolactones/Bi-spirolactones","Journal of the American Chemical Society","2012","134","","2946","2949","10.1021/ja211859w","","x-ray","0.71073","MoKα","","0.0441","0.0344","","","0.0754","0.0798","","","","","","1.038","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117493","11.858","0.006","6.136","0.003","23.502","0.011","90","","95.347","0.01","90","","1702.6","1.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","1","","Qing-Hai Deng; Hubert Wadepohl; Lutz H. Gade","Highly Enantioselective Copper-Catalyzed Alkylation of β-Ketoesters and Subsequent Cyclization to Spirolactones/Bi-spirolactones","Journal of the American Chemical Society","2012","134","","2946","2949","10.1021/ja211859w","","x-ray","0.71073","MoKα","","0.065","0.0482","","","0.121","0.1338","","","","","","1.023","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117494","13.0491","0.0004","13.3708","0.0004","40.9566","0.0013","90","","92.13","","90","","7141","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1,4,4-Tetrakis[bis(trimethylsilyl)methyl]-2,3-bis(tert-butyliminomethylene)- 1,4-diisopropyltetrasilane","","- C49 H120 N2 Si12 -","- C49 H120 N2 Si12 -","- C196 H480 N8 Si48 -","4","1","","Katsuhiko Takeuchi; Masaaki Ichinohe; Akira Sekiguchi","A New Disilene with π-Accepting Groups from the Reaction of Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]) with Isocyanides","Journal of the American Chemical Society","2012","134","","2954","2957","10.1021/ja212065a","","","0.71073","MoKα","","0.0982","0.0698","","","0.2113","0.2325","","","","","","1.139","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117495","9.5952","0.0011","10.9258","0.0013","14.635","0.003","106.505","0.002","95.721","0.002","109.877","0.001","1350.2","0.4","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","E-1,1,4,4-Tetrakis[bis(trimethylsilyl)methyl]-2,3-dicyano- 1,4-diisopropyl-2-tetrasilene","","- C36 H90 N2 Si12 -","- C36 H90 N2 Si12 -","- C36 H90 N2 Si12 -","1","0.5","","Katsuhiko Takeuchi; Masaaki Ichinohe; Akira Sekiguchi","A New Disilene with π-Accepting Groups from the Reaction of Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]) with Isocyanides","Journal of the American Chemical Society","2012","134","","2954","2957","10.1021/ja212065a","","","0.71073","MoKα","","0.0982","0.0562","","","0.1304","0.1417","","","","","","0.999","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117496","6.9781","0.0014","18.955","0.004","21.355","0.004","90","","96.569","0.003","90","","2806.1","1","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Br2 O4 -","- C34 H28 Br2 O4 -","- C136 H112 Br8 O16 -","4","1","","Akiko Yagi; Yasutomo Segawa; Kenichiro Itami","Synthesis and Properties of [9]Cyclo-1,4-naphthylene: A π-Extended Carbon Nanoring","Journal of the American Chemical Society","2012","134","","2962","2965","10.1021/ja300001g","","","0.7107","MoKα","","0.0527","0.0408","","","0.0903","0.0976","","","","","","1.066","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117497","7.5571","0.0011","12.8797","0.0016","14.111","0.002","68.14","0.005","83.629","0.006","76.933","0.006","1241.2","0.3","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 Br2 O2 -","- C32 H24 Br2 O2 -","- C64 H48 Br4 O4 -","2","1","","Akiko Yagi; Yasutomo Segawa; Kenichiro Itami","Synthesis and Properties of [9]Cyclo-1,4-naphthylene: A π-Extended Carbon Nanoring","Journal of the American Chemical Society","2012","134","","2962","2965","10.1021/ja300001g","","","0.7107","MoKα","","0.0322","0.0244","","","0.0561","0.0588","","","","","","1.031","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117498","10.2531","0.0006","13.9891","0.0009","15.2353","0.0009","95.947","0.003","107.78","0.003","97.433","0.003","2039.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H60 Hf2 N2 O2 Si2 -","- C42 H60 Hf2 N2 O2 Si2 -","- C84 H120 Hf4 N4 O4 Si4 -","2","1","","Donald J. Knobloch; Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Studies into the Mechanism of CO-Induced N2 Cleavage Promoted by an Ansa-Hafnocene Complex and C-C Bond Formation from an Observed Intermediate","Journal of the American Chemical Society","2012","134","","3377","3386","10.1021/ja208562d","","","0.71073","MoKα","","0.0321","0.0244","","","0.0514","0.0539","","","","","","1.077","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117499","11.2581","0.0006","13.9369","0.0009","17.4621","0.001","80.324","0.003","86.219","0.003","89.165","0.003","2695","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H63 Hf2 I N2 O3 Si2 -","- C44 H63 Hf2 I N2 O3 Si2 -","- C88 H126 Hf4 I2 N4 O6 Si4 -","2","1","","Donald J. Knobloch; Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Studies into the Mechanism of CO-Induced N2 Cleavage Promoted by an Ansa-Hafnocene Complex and C-C Bond Formation from an Observed Intermediate","Journal of the American Chemical Society","2012","134","","3377","3386","10.1021/ja208562d","","","0.71073","MoKα","","0.0281","0.0224","","","0.0661","0.0685","","","","","","1.009","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117500","9.3309","0.0007","10.2407","0.0008","24.575","0.002","85.677","0.003","87.437","0.003","68.155","0.003","2173.1","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H63 Hf2 N2 O3 Si2 -","- C45 H63 Hf2 N2 O3 Si2 -","- C90 H126 Hf4 N4 O6 Si4 -","2","1","","Donald J. Knobloch; Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Studies into the Mechanism of CO-Induced N2 Cleavage Promoted by an Ansa-Hafnocene Complex and C-C Bond Formation from an Observed Intermediate","Journal of the American Chemical Society","2012","134","","3377","3386","10.1021/ja208562d","","","0.71073","MoKα","","0.0266","0.0199","","","0.0414","0.044","","","","","","1.017","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117501","11.2354","0.0004","13.7569","0.0004","20.0187","0.001","83.601","0.002","77.383","0.002","87.862","0.002","3000.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H78 Hf2 N4 O4 Si2 -","- C52 H78 Hf2 N4 O4 Si2 -","- C104 H156 Hf4 N8 O8 Si4 -","2","1","","Donald J. Knobloch; Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Studies into the Mechanism of CO-Induced N2 Cleavage Promoted by an Ansa-Hafnocene Complex and C-C Bond Formation from an Observed Intermediate","Journal of the American Chemical Society","2012","134","","3377","3386","10.1021/ja208562d","","","1.54178","CuKα","","0.0307","0.0262","","","0.0659","0.068","","","","","","1.036","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117502","52.893","0.012","14.406","0.003","39.178","0.007","90","","104.803","0.004","90","","28862","10","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C124 H119 Cl Mo2 N12 O2 -","- C124 H119 Cl Mo2 N12 O2 -","- C992 H952 Cl8 Mo16 N96 O16 -","8","1","","Osamu Matsushita; Valentina M. Derkacheva; Atsuya Muranaka; Soji Shimizu; Masanobu Uchiyama; Evgeny A. Luk'yanets; Nagao Kobayashi","Rectangular-Shaped Expanded Phthalocyanines with Two Central Metal Atoms","Journal of the American Chemical Society","2012","134","","3411","3418","10.1021/ja209589x","","","0.71073","MoKα","","0.1314","0.0657","","","0.1619","0.1853","","","","","","0.889","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117503","19.874","0.004","36.991","0.007","26.996","0.005","90","","96.499","0.004","90","","19719","7","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C80 H462 Cl25 Co10 Gd42 O408 -","- C72 H140 Cl25 Co10 Gd42 O305 -","- C144 H280 Cl50 Co20 Gd84 O610 -","2","0.5","","Jun-Bo Peng; Qian-Chong Zhang; Xiang-Jian Kong; Yan-Zhen Zheng; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","High-Nuclearity 3d-4f Clusters as Enhanced Magnetic Coolers and Molecular Magnets","Journal of the American Chemical Society","2012","134","","3314","3317","10.1021/ja209752z","","","0.71073","MoKα","","0.1269","0.0794","","","0.1991","0.2184","","","","","","0.999","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117504","20.046","0.003","36.868","0.006","26.981","0.004","90","","97.142","0.004","90","","19786","5","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C86 H480 Cl25 Co10 Dy42 O411 -","- C72 H143 Cl25 Co10 Dy42 O314 -","- C144 H286 Cl50 Co20 Dy84 O628 -","2","0.5","","Jun-Bo Peng; Qian-Chong Zhang; Xiang-Jian Kong; Yan-Zhen Zheng; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","High-Nuclearity 3d-4f Clusters as Enhanced Magnetic Coolers and Molecular Magnets","Journal of the American Chemical Society","2012","134","","3314","3317","10.1021/ja209752z","","","0.71073","MoKα","","0.1341","0.0818","","","0.1882","0.2074","","","","","","1.002","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117505","19.5958","0.0009","36.8464","0.001","27.0024","0.0008","90","","96.293","0.004","90","","19379.2","1.2","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C72 H458 Cl24 Gd42 Ni10 O410 -","- C72 H140 Cl24 Gd42 Ni10 O302 -","- C144 H280 Cl48 Gd84 Ni20 O604 -","2","0.5","","Jun-Bo Peng; Qian-Chong Zhang; Xiang-Jian Kong; Yan-Zhen Zheng; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","High-Nuclearity 3d-4f Clusters as Enhanced Magnetic Coolers and Molecular Magnets","Journal of the American Chemical Society","2012","134","","3314","3317","10.1021/ja209752z","","","0.71073","MoKα","","0.1835","0.0853","","","0.1523","0.1662","","","","","","1.026","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117506","20.0757","0.0011","36.4581","0.0012","27.2538","0.0009","90","","98.715","0.004","90","","19717.3","1.4","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C72 H458 Cl24 Dy42 Ni10 O410 -","- C72 H143 Cl24 Dy42 Ni10 O294 -","- C144 H286 Cl48 Dy84 Ni20 O588 -","2","0.5","","Jun-Bo Peng; Qian-Chong Zhang; Xiang-Jian Kong; Yan-Zhen Zheng; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","High-Nuclearity 3d-4f Clusters as Enhanced Magnetic Coolers and Molecular Magnets","Journal of the American Chemical Society","2012","134","","3314","3317","10.1021/ja209752z","","","0.71073","MoKα","","0.1246","0.0667","","","0.1401","0.1512","","","","","","1.005","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117507","10.5462","0.0003","10.5462","0.0003","24.2854","0.0016","90","","90","","120","","2339.2","0.18","110","","110","","","","","","","","","4","P 32","P 32","145","","","","- C28 H58 P4 Ru -","- C28 H58 P4 Ru -","- C84 H174 P12 Ru3 -","3","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.71073","MoKα","","0.0293","0.0268","","","0.0583","0.0595","","","","","","1.056","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117508","10.4095","0.0013","14.9482","0.0019","26.671","0.003","90","","90","","90","","4150.1","0.9","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H72 P4 Ru -","- C42 H72 P4 Ru -","- C168 H288 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.71073","MoKα","","0.029","0.0276","","","0.067","0.0675","","","","","","1.155","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117509","10.4162","0.0013","14.9533","0.0009","26.769","0.011","90","","90","","90","","4169.4","1.8","110","2","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H72 P4 Ru -","- C42 H72 P4 Ru -","- C168 H288 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.049","0.0452","","","0.1067","0.109","","","","","","1.093","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117510","10.7597","0.0006","17.135","0.001","20.224","0.0011","90","","105.116","0.001","90","","3599.6","0.4","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H68 P4 Ru Si -","- C32 H68 P4 Ru Si -","- C128 H272 P16 Ru4 Si4 -","4","2","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.71073","MoKα","","0.0342","0.0309","","","0.0655","0.0673","","","","","","1.034","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117511","10.8954","0.0006","18.2414","0.0009","18.2696","0.0009","90","","90","","90","","3631","0.3","110","0.2","110","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H64 P4 Ru Si -","- C34 H64 P4 Ru Si -","- C136 H256 P16 Ru4 Si4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.031","0.0275","","","0.0561","0.0578","","","","","","1.049","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117512","11.2756","0.0004","17.8651","0.0005","11.2779","0.0005","90","","116.017","0.005","90","","2041.6","0.16","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H68 P4 Ru Si -","- C40 H68 P4 Ru Si -","- C80 H136 P8 Ru2 Si2 -","2","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0331","0.0307","","","0.0781","0.0805","","","","","","1.055","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117513","11.6044","0.0003","16.5646","0.0002","12.0137","0.0003","90","","118.031","0.003","90","","2038.4","0.1","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H64 P4 Ru Si -","- C42 H64 P4 Ru Si -","- C84 H128 P8 Ru2 Si2 -","2","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0307","0.0273","","","0.0584","0.06","","","","","","1.015","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117514","10.09766","0.00017","18.0979","0.0003","20.9211","0.0003","90","","90","","90","","3823.26","0.11","110","2","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H69 B O2 P4 Ru -","- C34 H69 B O2 P4 Ru -","- C136 H276 B4 O8 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0289","0.0249","","","0.0524","0.054","","","","","","1.055","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117515","10.2481","0.0003","17.7037","0.0005","19.8698","0.0005","90","","90","","90","","3604.96","0.17","110","","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H60 P4 Ru -","- C38 H60 P4 Ru -","- C152 H240 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0281","0.0251","","","0.0526","0.0538","","","","","","1.058","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117516","10.2545","0.0014","17.707","0.002","19.889","0.003","90","","90","","90","","3611.4","0.8","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H60 P4 Ru -","- C38 H60 P4 Ru -","- C152 H240 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.71073","MoKα","","0.0284","0.0242","","","0.0545","0.0562","","","","","","1.049","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117517","12.52495","0.00014","12.65101","0.00013","12.52993","0.00013","90","","92.9129","0.001","90","","1982.84","0.04","110","","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H57 F5 P4 Ru -","- C42 H57 F5 P4 Ru -","- C84 H114 F10 P8 Ru2 -","2","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0278","0.0257","","","0.053","0.0541","","","","","","1.035","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117518","11.60235","0.00014","13.80119","0.00014","19.8946","0.0002","90","","90","","90","","3185.65","0.06","110","","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H56 Cl2 P4 Ru -","- C28 H56 Cl2 P4 Ru -","- C112 H224 Cl8 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0366","0.0317","","","0.0556","0.0576","","","","","","1.014","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117519","9.666","0.003","11.403","0.002","15.665","0.004","73.02","0.02","89.56","0.02","75.84","0.02","1597.4","0.7","110","","110","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H57 Br P4 Ru -","- C28 H57 Br P4 Ru -","- C56 H114 Br2 P8 Ru2 -","2","2","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0336","0.0296","","","0.0532","0.0551","","","","","","1.016","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117520","19.562","0.012","20.298","0.013","7.523","0.005","90","","90","","90","","2987","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","dithiophene-benzothiazole","Me2T-BT","","- C16 H12 N2 S3 -","- C16 H12 N2 S3 -","- C128 H96 N16 S24 -","8","1","","Itaru Osaka; Masafumi Shimawaki; Hiroki Mori; Iori Doi; Eigo Miyazaki; Tomoyuki Koganezawa; Kazuo Takimiya","Synthesis, Characterization, and Transistor and Solar Cell Applications of a Naphthobisthiadiazole-Based Semiconducting Polymer","Journal of the American Chemical Society","2012","134","","3498","3507","10.1021/ja210687r","","","0.7107","MoKα","","0.0842","0.0599","","","0.1463","0.1656","","","","","","0.946","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117521","11.7955","0.0015","8.5619","0.0009","18.814","0.002","90","","106.722","0.0013","90","","1819.7","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Me2T-NTz","Me2T-NTz","","- C20 H12 N4 S4 -","- C20 H12 N4 S4 -","- C80 H48 N16 S16 -","4","0.5","","Itaru Osaka; Masafumi Shimawaki; Hiroki Mori; Iori Doi; Eigo Miyazaki; Tomoyuki Koganezawa; Kazuo Takimiya","Synthesis, Characterization, and Transistor and Solar Cell Applications of a Naphthobisthiadiazole-Based Semiconducting Polymer","Journal of the American Chemical Society","2012","134","","3498","3507","10.1021/ja210687r","","","0.7107","MoKα","","0.0499","0.0398","","","0.1043","0.1123","","","","","","0.745","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117522","7.6205","0.0003","21.0602","0.001","9.6221","0.0003","90","","91.877","0.002","90","","1543.42","0.11","150","1","150","1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H12 Br2 Te -","- C16 H12 Br2 Te -","- C64 H48 Br8 Te4 -","4","2","","Theresa M. McCormick; Ashlee A. Jahnke; Alan J. Lough; Dwight S. Seferos","Tellurophenes with Delocalized π-Systems and Their Extended Valence Adducts","Journal of the American Chemical Society","2012","134","","3542","3548","10.1021/ja210763n","","","0.71073","MoKα","","0.0928","0.0507","","","0.1105","0.1325","","","","","","1.052","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117523","11.3815","0.0004","20.0676","0.0007","29.4371","0.0011","90","","98.782","0.002","90","","6644.6","0.4","99.99","","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50.65 H55.86 N10.55 O13.55 Zn2 -","- C50.656 H55.864 N10.552 O13.552 Zn2 -","- C202.624 H223.456 N42.208 O54.208 Zn8 -","4","1","","John M. Roberts; Branden M. Fini; Amy A. Sarjeant; Omar K. Farha; Joseph T. Hupp; Karl A. Scheidt","Urea Metal-Organic Frameworks as Effective and Size-Selective Hydrogen-Bond Catalysts","Journal of the American Chemical Society","2012","134","","3334","3337","10.1021/ja2108118","","","1.54184","CuKα","","0.1417","0.1303","","","0.3333","0.3435","","","","","","1.085","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117524","12.501","0.0007","8.0411","0.0005","16.9607","0.0008","90","","104.235","0.003","90","","1652.57","0.16","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","","Axel Kirste; Bernd Elsler; Gregor Schnakenburg; Siegfried R. Waldvogel","Efficient Anodic and Direct Phenol-Arene C,C Cross-Coupling: The Benign Role of Water or Methanol","Journal of the American Chemical Society","2012","134","","3571","3576","10.1021/ja211005g","","","0.71073","MoKα","","0.0663","0.0467","","","0.1216","0.1312","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117525","20.9617","0.001","12.1499","0.0006","15.6024","0.0012","90","","132.142","0.001","90","","2946.4","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 Cl O4 -","- C16 H17 Cl O4 -","- C128 H136 Cl8 O32 -","8","1","","Axel Kirste; Bernd Elsler; Gregor Schnakenburg; Siegfried R. Waldvogel","Efficient Anodic and Direct Phenol-Arene C,C Cross-Coupling: The Benign Role of Water or Methanol","Journal of the American Chemical Society","2012","134","","3571","3576","10.1021/ja211005g","","","0.71073","MoKα","","0.0344","0.0286","","","0.0718","0.0758","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117526","20.8718","0.0005","12.2563","0.0003","15.6088","0.0004","90","","131.512","0.002","90","","2989.95","0.16","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 Br O4 -","- C16 H17 Br O4 -","- C128 H136 Br8 O32 -","8","1","","Axel Kirste; Bernd Elsler; Gregor Schnakenburg; Siegfried R. Waldvogel","Efficient Anodic and Direct Phenol-Arene C,C Cross-Coupling: The Benign Role of Water or Methanol","Journal of the American Chemical Society","2012","134","","3571","3576","10.1021/ja211005g","","","0.71073","MoKα","","0.0289","0.0258","","","0.0639","0.0653","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117527","18.0165","0.0011","7.1641","0.0005","16.509","0.0013","90","","113.92","0.004","90","","1947.8","0.2","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 O6 -","- C23 H24 O6 -","- C92 H96 O24 -","4","1","","Axel Kirste; Bernd Elsler; Gregor Schnakenburg; Siegfried R. Waldvogel","Efficient Anodic and Direct Phenol-Arene C,C Cross-Coupling: The Benign Role of Water or Methanol","Journal of the American Chemical Society","2012","134","","3571","3576","10.1021/ja211005g","","","0.71073","MoKα","","0.1294","0.0524","","","0.1031","0.1253","","","","","","0.879","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117528","11.075","0.002","12.387","0.003","12.712","0.003","90","","103.418","0.005","90","","1696.3","0.7","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Br O4 -","- C18 H21 Br O4 -","- C72 H84 Br4 O16 -","4","1","","Axel Kirste; Bernd Elsler; Gregor Schnakenburg; Siegfried R. Waldvogel","Efficient Anodic and Direct Phenol-Arene C,C Cross-Coupling: The Benign Role of Water or Methanol","Journal of the American Chemical Society","2012","134","","3571","3576","10.1021/ja211005g","","","0.71073","MoKα","","0.0589","0.0453","","","0.1262","0.1332","","","","","","1.067","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117529","14.7367","0.0004","7.3238","0.0002","30.8713","0.0008","90","","90","","90","","3331.9","0.15","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O7 -","- C18 H22 O7 -","- C144 H176 O56 -","8","1","","Axel Kirste; Bernd Elsler; Gregor Schnakenburg; Siegfried R. Waldvogel","Efficient Anodic and Direct Phenol-Arene C,C Cross-Coupling: The Benign Role of Water or Methanol","Journal of the American Chemical Society","2012","134","","3571","3576","10.1021/ja211005g","","","0.71073","MoKα","","0.095","0.0411","","","0.0764","0.0879","","","","","","0.899","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117530","10.5434","0.0011","11.0635","0.0019","14.3107","0.0011","104.502","0.002","97.703","0.002","99.046","0.004","1569.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H76 N4 Ru S4 -","- C72.156 H76.156 N4 Ru S4 -","- C72.156 H76.156 N4 Ru S4 -","1","0.5","","Júlio S. Rebouças; Brian O. Patrick; Brian R. James","Thiol, Disulfide, and Trisulfide Complexes of Ru Porphyrins: Potential Models for Iron-Sulfur Bonds in Heme Proteins","Journal of the American Chemical Society","2012","134","","3555","3570","10.1021/ja211226e","","","0.71069","MoKα","","0.047","0.0388","","","0.1005","0.1047","","","","","","1.09","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117531","21.4069","0.0012","10.5671","0.0007","21.9699","0.0012","90","","101.18","0.0018","90","","4875.5","0.5","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 Cl N O4 -","- C27 H28 Cl N O4 -","- C216 H224 Cl8 N8 O32 -","8","2","","Yoshihiro Miyake; Kazunari Nakajima; Yoshiaki Nishibayashi","Visible-Light-Mediated Utilization of α-Aminoalkyl Radicals: Addition to Electron-Deficient Alkenes Using Photoredox Catalysts","Journal of the American Chemical Society","2012","134","","3338","3341","10.1021/ja211770y","","","0.71075","MoKα","","","0.0869","","","","0.1399","","","","","","1","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117532","5.202475","0.000004","5.202475","","14.01449","0.00011","90","","90","","120","","328.494","0.003","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Fe0.33 O Sc0.33 -","- Fe0.333333 O Sc0.333333 -","- Fe6 O18 Sc6 -","18","1","","Man-Rong Li; Umut Adem; Sean R. C. McMitchell; Zhongling Xu; Chris I. Thomas; John E. Warren; Duong V. Giap; Hongjun Niu; Xinming Wan; Robert G. Palgrave; Florian Schiffmann; Furio Cora; Ben Slater; Tim L. Burnett; Markys G. Cain; Artem M. Abakumov; Gustaaf van Tendeloo; Michael F. Thomas; Matthew J. Rosseinsky; John B. Claridge","A Polar Corundum Oxide Displaying Weak Ferromagnetism at Room Temperature","Journal of the American Chemical Society","2012","134","","3737","3747","10.1021/ja208395z","powder diffraction","neutron","","","","","","","","","","0.0982","","1.03","","","","","","","has coordinates,has Fobs","178946","2020-10-21","18:00:00",""
"4117533","5.202432","0.000007","5.202446","0.000007","14.0145","0.00011","90","","90","","119.999","","328.494","0.003","","","","","","","","","","","","1","P 1","P 1","1","","","","- Fe6 -","- Fe6 -","- Fe6 -","1","1","","Man-Rong Li; Umut Adem; Sean R. C. McMitchell; Zhongling Xu; Chris I. Thomas; John E. Warren; Duong V. Giap; Hongjun Niu; Xinming Wan; Robert G. Palgrave; Florian Schiffmann; Furio Cora; Ben Slater; Tim L. Burnett; Markys G. Cain; Artem M. Abakumov; Gustaaf van Tendeloo; Michael F. Thomas; Matthew J. Rosseinsky; John B. Claridge","A Polar Corundum Oxide Displaying Weak Ferromagnetism at Room Temperature","Journal of the American Chemical Society","2012","134","","3737","3747","10.1021/ja208395z","powder diffraction","neutron","","","","","","","","","","0.0982","","1.03","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4117534","12.3629","0.0001","12.4197","0.0001","22.4555","0.0003","96.057","0.001","90.322","0.001","104.885","0.001","3311.67","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H58 Ga10 N6 O S17 -","- C42 H58 Ga10 N6 O S17 -","- C84 H116 Ga20 N12 O2 S34 -","2","1","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.0381","0.0256","","","0.0529","0.0577","","","","","","1.031","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117535","21.7073","0.0001","21.7073","0.0001","28.5686","0.0003","90","","90","","120","","11658.2","0.14","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C21 H27 Ga10 N9 O3 S16 -","- C21 H27 Ga10 N9 O3 S16 -","- C126 H162 Ga60 N54 O18 S96 -","6","0.333333","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.1097","0.0892","","","0.2905","0.3203","","","","","","1.093","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117536","15.2866","0.0004","30.0105","0.0007","20.3917","0.0004","90","","110.852","0.001","90","","8742.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C H In10 N O9.09 S16 -","- C14.7273 H21.8182 In3.63636 N3.63636 S5.81818 -","- C162 H240 In40 N40 S64 -","11","2.75","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.1231","0.0828","","","0.2398","0.2746","","","","","","1.08","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117537","19.3156","0.0004","32.7633","0.0008","23.1691","0.0005","90","","114.135","0.001","90","","13380.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 Cd4 In16 N8 S31 -","- C28 H48 Cd4 In16 N8 S31 -","- C112 H192 Cd16 In64 N32 S124 -","4","1","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.1603","0.0851","","","0.2769","0.3445","","","","","","1.026","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117538","21.8413","0.0002","21.8413","0.0002","36.2785","0.0007","90","","90","","90","","17306.4","0.4","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C70 H120 Cd4 In16 N20 S31 -","- C70 H120 Cd4 In16 N20 S31 -","- C280 H480 Cd16 In64 N80 S124 -","4","0.25","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.1409","0.0714","","","0.2314","0.3224","","","","","","1.072","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117539","28.0877","0.0004","28.0877","0.0004","26.7025","0.0004","90","","90","","90","","21066.1","0.5","150","2","150","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C40 Cd13 In22 N4 S52 -","- C40 Cd13 In22 N4 S52 -","- C160 Cd52 In88 N16 S208 -","4","0.125","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.2824","0.1946","","","0.4616","0.6185","","","","","","0.974","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117540","28.0877","0.0004","28.0877","0.0004","26.7025","0.0004","90","","90","","90","","21066.1","0.5","150","2","150","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- Cd13 In22 N4 S52 -","- Cd13 In22 N4 S52 -","- Cd52 In88 N16 S208 -","4","0.125","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.1591","0.1238","","","0.3497","0.3751","","","","","","1.063","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117541","17.5175","0.0005","17.6943","0.0005","23.4522","0.0007","106.526","0.002","99.634","0.002","98.379","0.002","6725.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Cd4 In16 N8 S31 -","- C30 H45 Cd4 In16 N8 S31 -","- C60 H90 Cd8 In32 N16 S62 -","2","1","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.1685","0.0973","","","0.3085","0.3776","","","","","","1.027","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117542","29.4139","0.0009","51.1644","0.0009","30.5935","0.0012","90","","114.979","0.004","90","","41735","3","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- H794 Mo186 Na24 O958 -","- Mo184 Na15.4 O762.4 -","- Mo368 Na30.8 O1524.8 -","2","0.25","","Haralampos N. Miras; Craig J. Richmond; De-Liang Long; Leroy Cronin","Solution-Phase Monitoring of the Structural Evolution of a Molybdenum Blue Nanoring","Journal of the American Chemical Society","2012","134","","3816","3824","10.1021/ja210206z","","","1.54184","CuKα","","0.1132","0.0757","","","0.2068","0.2177","","","","","","0.971","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117543","8.5019","0.0011","20.951","0.003","8.7237","0.0012","90","","110.586","0.002","90","","1454.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 F4 N4 O2 -","- C14 H13 F4 N4 O2 -","- C56 H52 F16 N16 O8 -","4","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0593","0.0398","","","0.0868","0.0955","","","","","","1.016","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117544","8.4721","0.0013","20.89","0.003","8.7019","0.0013","90","","110.65","0.002","90","","1441.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13.2 F3.8 N4 O2 -","- C14 H13.2 F3.8 N4 O2 -","- C56 H52.8 F15.2 N16 O8 -","4","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0754","0.0606","","","0.1637","0.1775","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117545","8.436","0.004","20.805","0.011","8.676","0.004","90","","110.68","0.008","90","","1424.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13.4 F3.6 N4 O2 -","- C14 H13.4 F3.6 N4 O2 -","- C56 H53.6 F14.4 N16 O8 -","4","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.131","0.0514","","","0.0949","0.11","","","","","","0.824","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117546","8.8193","0.0017","15.674","0.003","20.839","0.004","90","","90","","90","","2880.7","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","12% H, 88% F","","- C14 H13.48 F3.52 N4 O2 -","- C14 H13.48 F3.52 N4 O2 -","- C112 H107.84 F28.16 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0674","0.0447","","","0.098","0.1081","","","","","","1.045","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117547","8.7678","0.0007","15.631","0.0012","20.7838","0.0016","90","","90","","90","","2848.4","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 F3 N4 O2 -","- C14 H14 F3 N4 O2 -","- C112 H112 F24 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0487","0.0391","","","0.096","0.1015","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117548","8.694","0.003","15.491","0.004","20.569","0.006","90","","90","","90","","2770.2","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H30 F4 N8 O4 -","- C28 H30 F4 N8 O4 -","- C112 H120 F16 N32 O16 -","4","0.5","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0839","0.0663","","","0.1541","0.1638","","","","","","1.136","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117549","8.6527","0.0008","15.3511","0.0015","20.396","0.002","90","","90","","90","","2709.2","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 F N4 O2 -","- C14 H16 F N4 O2 -","- C112 H128 F8 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0682","0.0571","","","0.1314","0.137","","","","","","1.176","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117550","8.6503","0.0008","15.31","0.0014","20.3524","0.0018","90","","90","","90","","2695.4","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16.32 F0.68 N4 O2 -","- C14 H16.32 F0.68 N4 O2 -","- C112 H130.56 F5.44 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0594","0.0541","","","0.1247","0.1278","","","","","","1.139","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117551","8.651","0.004","15.285","0.006","20.327","0.008","90","","90","","90","","2687.9","1.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16.7 F0.4 N4 O2 -","- C14 H16.7 F0.4 N4 O2 -","- C112 H133.6 F3.2 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.1129","0.0658","","","0.1425","0.1658","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117552","8.6236","0.0006","15.2101","0.001","20.2137","0.0013","90","","90","","90","","2651.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N4 O2 -","- C14 H17 N4 O2 -","- C112 H136 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0476","0.0401","","","0.1008","0.1054","","","","","","1.065","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117553","8.654","0.0004","20.971","0.0009","8.85","0.0004","90","","110.397","0.002","90","","1505.42","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4,5,6,7-Tetrafluorobenzimidazol-2-yl)-4,4,5,5-tetramethyl- 4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","","- C14 H13 F4 N4 O2 -","- C14 H13 F4 N4 O2 -","- C56 H52 F16 N16 O8 -","4","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0863","0.0517","","","0.1613","0.1932","","","","","","1.158","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117554","8.8962","0.0002","16.1695","0.0004","20.6719","0.0005","90","","90","","90","","2973.59","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H27.6 F6.4 N8 O4 -","- C28 H27.6 F6.4 N8 O4 -","- C112 H110.4 F25.6 N32 O16 -","4","0.5","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.1233","0.1056","","","0.3311","0.3467","","","","","","2.786","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117555","8.7685","0.0003","15.6827","0.0006","20.2294","0.0009","90","","90","","90","","2781.82","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16.11 F0.89 N4 O2 -","- C14 H13 F0.892 N4 O2 -","- C112 H104 F7.136 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0859","0.0563","","","0.1328","0.1443","","","","","","1.1","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117556","9.2277","0.0017","9.7367","0.0018","15.016","0.003","104.918","0.004","96.052","0.003","92.312","0.004","1293.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","PIIV48work","","","- C23 H27 Cl2 N5 O6 S -","- C23 H27 Cl2 N5 O6 S -","- C46 H54 Cl4 N10 O12 S2 -","2","1","","P. Andrew Evans; Phillip A. Inglesby","Diastereoselective Rhodium-Catalyzed Ene-Cycloisomerization Reactions of Alkenylidenecyclopropanes: Total Synthesis of (-)-α-Kainic Acid","Journal of the American Chemical Society","2012","134","","3635","3638","10.1021/ja210804r","","","0.71073","MoKα","","0.062","0.0561","","","0.1297","0.1331","","","","","","1.128","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117557","10.744","0.003","11.488","0.003","12.803","0.003","74.91","0.004","82.69","0.004","83.941","0.004","1509","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H31 Cl4 N5 O6 S -","- C25 H31 Cl4 N5 O6 S -","- C50 H62 Cl8 N10 O12 S2 -","2","1","","P. Andrew Evans; Phillip A. Inglesby","Diastereoselective Rhodium-Catalyzed Ene-Cycloisomerization Reactions of Alkenylidenecyclopropanes: Total Synthesis of (-)-α-Kainic Acid","Journal of the American Chemical Society","2012","134","","3635","3638","10.1021/ja210804r","","","0.71073","MoKα","","0.0729","0.0626","","","0.1581","0.1671","","","","","","1.022","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117558","14.5542","0.0005","11.5548","0.0004","18.0747","0.0007","90","","90","","90","","3039.64","0.19","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","work","","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C128 H168 N8 O16 S8 -","8","1","","P. Andrew Evans; Phillip A. Inglesby","Diastereoselective Rhodium-Catalyzed Ene-Cycloisomerization Reactions of Alkenylidenecyclopropanes: Total Synthesis of (-)-α-Kainic Acid","Journal of the American Chemical Society","2012","134","","3635","3638","10.1021/ja210804r","","","0.71073","MoKα","","0.0349","0.0321","","","0.0836","0.0858","","","","","","1.067","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117559","11.3728","0.0003","11.56","0.0004","14.2743","0.0005","106.214","0.001","95.5915","0.0008","117.303","0.0008","1544.3","0.09","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H29 F6 Ir N2 O11 S2 -","- C22 H27 F6 Ir N2 O11 S2 -","- C44 H54 F12 Ir2 N4 O22 S4 -","2","1","","Ryoko Kawahara; Ken-ichi Fujita; Ryohei Yamaguchi","Dehydrogenative Oxidation of Alcohols in Aqueous Media Using Water-Soluble and Reusable Cp*Ir Catalysts Bearing a Functional Bipyridine Ligand","Journal of the American Chemical Society","2012","134","","3643","3646","10.1021/ja210857z","","","0.71075","MoKα","","","0.0328","","","","0.0573","","","","","","1.049","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117560","23.206","0.005","29.202","0.002","31.76","0.002","90","","90","","90","","21523","5","100","","100","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C114 H112 Cl6 Lu N16 S8 -","- C114 H112 Cl6 Lu N16 S8 -","- C912 H896 Cl48 Lu8 N128 S64 -","8","0.25","","Mehmet Menaf Ayhan; Anu Singh; Catherine Hirel; Ayşe Gül Gürek; Vefa Ahsen; Erwann Jeanneau; Isabelle Ledoux-Rak; Joseph Zyss; Chantal Andraud; Yann Bretonnière","ABAB Homoleptic Bis(phthalocyaninato)lutetium(III) Complex: Toward the Real Octupolar Cube and Giant Quadratic Hyperpolarizability","Journal of the American Chemical Society","2012","134","","3655","3658","10.1021/ja211064a","","","0.7107","MoKα","","0.0716","0.0591","","0.1704","0.1461","0.1704","","","","","","0.9565","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117561","11.045","0.008","11.045","0.008","8.163","0.006","90","","90","","90","","995.8","1.3","100","2","100","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C20 H16 Cu F6 N4 Si -","- C20 H16 Cu F6 N4 Si -","- C20 H16 Cu F6 N4 Si -","1","0.0625","","Stephen D. Burd; Shengqian Ma; Jason A. Perman; Benjamin J. Sikora; Randall Q. Snurr; Praveen K. Thallapally; Jian Tian; Lukasz Wojtas; Michael J. Zaworotko","Highly Selective Carbon Dioxide Uptake by [Cu(bpy-n)2(SiF6)] (bpy-1 = 4,4'-Bipyridine; bpy-2 = 1,2-Bis(4-pyridyl)ethene)","Journal of the American Chemical Society","2012","134","","3663","3666","10.1021/ja211340t","","","0.41328","synchrotron","","0.0466","0.0451","","","0.1355","0.1363","","","","","","1.086","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117562","18.8471","0.0011","18.8471","0.0011","7.9975","0.0005","90","","90","","90","","2840.8","0.3","100","2","100","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C24 H20 Cu F6 N4 Si -","- C24 H20 Cu F6 N4 Si -","- C48 H40 Cu2 F12 N8 Si2 -","2","0.125","","Stephen D. Burd; Shengqian Ma; Jason A. Perman; Benjamin J. Sikora; Randall Q. Snurr; Praveen K. Thallapally; Jian Tian; Lukasz Wojtas; Michael J. Zaworotko","Highly Selective Carbon Dioxide Uptake by [Cu(bpy-n)2(SiF6)] (bpy-1 = 4,4'-Bipyridine; bpy-2 = 1,2-Bis(4-pyridyl)ethene)","Journal of the American Chemical Society","2012","134","","3663","3666","10.1021/ja211340t","","","1.54178","CuKα","","0.0722","0.0686","","","0.193","0.1956","","","","","","1.089","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117563","8.7173","0.0004","8.5002","0.0003","9.0429","0.0003","90","","96.081","0.002","90","","666.3","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H14 B2 N2 -","- C2 H14 B2 N2 -","- C8 H56 B8 N8 -","4","1","","Heather C. Johnson; Alasdair P. M. Robertson; Adrian B. Chaplin; Laura J. Sewell; Amber L. Thompson; Mairi F. Haddow; Ian Manners; Andrew S. Weller","Correction to Catching the First Oligomerization Event in the Catalytic Formation of Polyaminoboranes: H3B.NMeHBH2.NMeH2 Bound to Iridium","Journal of the American Chemical Society","2012","134","","3932","3932","10.1021/ja211731p","","","0.71073","MoKα","","0.0396","0.0349","","","0.0958","0.0996","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117564","8.7323","0.0004","13.4187","0.0006","11.3803","0.0005","90","","101.992","0.001","90","","1304.4","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Brent E. Dial; Perry J. Pellechia; Mark D. Smith; Ken D. Shimizu","Proton Grease: An Acid Accelerated Molecular Rotor","Journal of the American Chemical Society","2012","134","","3675","3678","10.1021/ja2120184","","","0.71073","MoKα","","0.0397","0.038","","","0.0991","0.1009","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117565","18.3527","0.0008","7.6789","0.0004","16.5549","0.0008","90","","90","","90","","2333.06","0.19","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H23 Cl N4 O5 -","- C26 H23 Cl N4 O5 -","- C104 H92 Cl4 N16 O20 -","4","1","","Brent E. Dial; Perry J. Pellechia; Mark D. Smith; Ken D. Shimizu","Proton Grease: An Acid Accelerated Molecular Rotor","Journal of the American Chemical Society","2012","134","","3675","3678","10.1021/ja2120184","","","0.71073","MoKα","","0.0527","0.0424","","","0.0912","0.0962","","","","","","1.052","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117566","17.207","0.003","7.2719","0.0012","18.428","0.003","90","","90","","90","","2305.9","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C104 H96 N16 O24 -","8","1","","Brent E. Dial; Perry J. Pellechia; Mark D. Smith; Ken D. Shimizu","Proton Grease: An Acid Accelerated Molecular Rotor","Journal of the American Chemical Society","2012","134","","3675","3678","10.1021/ja2120184","","","0.71073","MoKα","","0.0805","0.0454","","","0.0793","0.0868","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117567","10.2686","0.0006","10.9392","0.0007","11.3165","0.0006","97.256","0.001","116.195","0.001","102.462","0.001","1077.56","0.11","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 N2 -","- C30 H26 N2 -","- C60 H52 N4 -","2","1","","Yi-Feng Wang; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic [3+2]-Annulation of N-Alkenyl Amidines","Journal of the American Chemical Society","2012","134","","3679","3682","10.1021/ja2120629","","","0.71073","MoKα","","0.0747","0.0492","","","0.1301","0.1583","","","","","","1.055","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117568","12.1452","0.0004","19.8949","0.0007","9.0046","0.0003","90","","90.59","0.002","90","","2175.64","0.13","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N2 -","- C30 H26 N2 -","- C120 H104 N8 -","4","1","","Yi-Feng Wang; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic [3+2]-Annulation of N-Alkenyl Amidines","Journal of the American Chemical Society","2012","134","","3679","3682","10.1021/ja2120629","","","0.71073","MoKα","","0.0654","0.0458","","","0.1174","0.137","","","","","","1.052","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117569","9.8508","0.0003","19.2961","0.0006","10.3465","0.0003","90","","101.119","0.001","90","","1929.77","0.1","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N2 -","- C27 H26 N2 -","- C108 H104 N8 -","4","1","","Yi-Feng Wang; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic [3+2]-Annulation of N-Alkenyl Amidines","Journal of the American Chemical Society","2012","134","","3679","3682","10.1021/ja2120629","","","0.71073","MoKα","","0.054","0.0424","","","0.1126","0.1258","","","","","","1.09","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117570","18.3248","0.0009","15.0664","0.0008","16.5116","0.0008","90","","112.927","0.003","90","","4198.5","0.4","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 -","- C28 H28 N2 -","- C224 H224 N16 -","8","2","","Yi-Feng Wang; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic [3+2]-Annulation of N-Alkenyl Amidines","Journal of the American Chemical Society","2012","134","","3679","3682","10.1021/ja2120629","","","0.71073","MoKα","","0.1113","0.0755","","","0.1884","0.2267","","","","","","1.035","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117571","25.0228","0.0014","8.3677","0.0004","6.5763","0.0004","90","","90","","90","","1376.97","0.13","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H16 N2 O S -","- C15 H16 N2 O S -","- C60 H64 N8 O4 S4 -","4","1","","Yi-Feng Wang; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic [3+2]-Annulation of N-Alkenyl Amidines","Journal of the American Chemical Society","2012","134","","3679","3682","10.1021/ja2120629","","","0.71073","MoKα","","0.034","0.0303","","","0.0842","0.1","","","","","","1.174","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117572","12.05","0.002","15.207","0.003","17.854","0.004","102.894","0.003","96.042","0.003","100.331","0.003","3101.2","1.1","123.1","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H52 Cl4 Co N8 -","- C82 H52 Cl4 Co N8 -","- C164 H104 Cl8 Co2 N16 -","2","1","","Tatsuhiko Honda; Takahiko Kojima; Shunichi Fukuzumi","Proton-Coupled Electron-Transfer Reduction of Dioxygen Catalyzed by a Saddle-Distorted Cobalt Phthalocyanine","Journal of the American Chemical Society","2012","134","","4196","4206","10.1021/ja209978q","","","0.7107","MoKα","","","0.0735","","","","0.2006","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117573","14.798","0.0011","21.3174","0.0016","27.914","0.003","90","","90","","90","","8805.6","1.3","123.1","","123.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C115 H89 Cl2 Co N8 -","- C115 H89 Cl2 Co N8 -","- C460 H356 Cl8 Co4 N32 -","4","1","","Tatsuhiko Honda; Takahiko Kojima; Shunichi Fukuzumi","Proton-Coupled Electron-Transfer Reduction of Dioxygen Catalyzed by a Saddle-Distorted Cobalt Phthalocyanine","Journal of the American Chemical Society","2012","134","","4196","4206","10.1021/ja209978q","","","0.7107","MoKα","","","0.0446","","","","0.0949","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117574","9.8119","0.0004","12.8887","0.0011","14.0085","0.0013","102.693","0.004","95.542","0.004","106.709","0.004","1630.9","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H13 B F15 P -","- C33 H13 B F15 P -","- C66 H26 B2 F30 P2 -","2","1","","Thomas Wiegand; Hellmut Eckert; Olga Ekkert; Roland Fröhlich; Gerald Kehr; Gerhard Erker; Stefan Grimme","New Insights into Frustrated Lewis Pairs: Structural Investigations of Intramolecular Phosphane-Borane Adducts by Using Modern Solid-State NMR Techniques and DFT Calculations","Journal of the American Chemical Society","2012","134","","4236","4249","10.1021/ja210160k","","","1.54178","CuKα","","0.056","0.0466","","","0.1289","0.1367","","","","","","1.039","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117575","7.6025","0.0008","15.0667","0.0017","10.5922","0.001","90","","90","","90","","1213.3","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H11 N Se2 -","- C13 H11 N Se2 -","- C52 H44 N4 Se8 -","4","1","","Debasish Manna; Govindasamy Mugesh","Regioselective Deiodination of Thyroxine by Iodothyronine Deiodinase Mimics: An Unusual Mechanistic Pathway Involving Cooperative Chalcogen and Halogen Bonding","Journal of the American Chemical Society","2012","134","","4269","4279","10.1021/ja210478k","","","0.71073","MoKα","","0.0507","0.04","","","0.1018","0.1114","","","","","","0.798","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117576","10.8085","0.0011","11.5763","0.0011","10.5415","0.001","90","","93.079","0.004","90","","1317.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N Se2 -","- C14 H13 N Se2 -","- C56 H52 N4 Se8 -","4","1","","Debasish Manna; Govindasamy Mugesh","Regioselective Deiodination of Thyroxine by Iodothyronine Deiodinase Mimics: An Unusual Mechanistic Pathway Involving Cooperative Chalcogen and Halogen Bonding","Journal of the American Chemical Society","2012","134","","4269","4279","10.1021/ja210478k","","","0.71073","MoKα","","0.0818","0.0406","","","0.1124","0.1395","","","","","","0.806","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117577","7.9434","0.0007","8.0334","0.0008","19.9028","0.0019","80.665","0.006","80.049","0.006","82.737","0.007","1228","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C13 H10.5 N O S Se -","- C13 H12 N S Se -","- C52 H48 N4 S4 Se4 -","4","4","","Debasish Manna; Govindasamy Mugesh","Regioselective Deiodination of Thyroxine by Iodothyronine Deiodinase Mimics: An Unusual Mechanistic Pathway Involving Cooperative Chalcogen and Halogen Bonding","Journal of the American Chemical Society","2012","134","","4269","4279","10.1021/ja210478k","","","0.71073","MoKα","","0.2531","0.0655","","","0.1275","0.1917","","","","","","0.908","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117578","9.0033","0.0015","10.0187","0.0014","14.811","0.0019","74.78","0.008","82.647","0.009","89.84","","1277.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N Se2 -","- C12.995 H13 N Se2 -","- C51.98 H52 N4 Se8 -","4","2","","Debasish Manna; Govindasamy Mugesh","Regioselective Deiodination of Thyroxine by Iodothyronine Deiodinase Mimics: An Unusual Mechanistic Pathway Involving Cooperative Chalcogen and Halogen Bonding","Journal of the American Chemical Society","2012","134","","4269","4279","10.1021/ja210478k","","","0.71073","MoKα","","0.0558","0.0558","","","0.1564","0.1564","","","","","","1.099","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117579","9.9484","0.0008","20.9541","0.0017","19.5857","0.0016","90","","104.256","0.001","90","","3957.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H41 Eu2 N O24 -","- C33 H29 Eu2 N O23.99 -","- C132 H116 Eu8 N4 O95.96 -","4","1","","Yuanjing Cui; Hui Xu; Yanfeng Yue; Zhiyong Guo; Jiancan Yu; Zhenxia Chen; Junkuo Gao; Yu Yang; Guodong Qian; Banglin Chen","A Luminescent Mixed-Lanthanide Metal-Organic Framework Thermometer","Journal of the American Chemical Society","2012","134","","3979","3982","10.1021/ja2108036","","","0.71073","MoKα","","0.0443","0.0362","","","0.1025","0.1264","","","","","","1.123","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117580","9.9094","0.0012","20.885","0.003","19.509","0.002","90","","104.274","0.002","90","","3912.9","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H41 N O24 Tb2 -","- C33 H29 N O23.99 Tb2 -","- C132 H116 N4 O95.96 Tb8 -","4","1","","Yuanjing Cui; Hui Xu; Yanfeng Yue; Zhiyong Guo; Jiancan Yu; Zhenxia Chen; Junkuo Gao; Yu Yang; Guodong Qian; Banglin Chen","A Luminescent Mixed-Lanthanide Metal-Organic Framework Thermometer","Journal of the American Chemical Society","2012","134","","3979","3982","10.1021/ja2108036","","","0.71073","MoKα","","0.0436","0.037","","","0.0804","0.085","","","","","","1.06","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117581","14.1583","0.0019","10.1383","0.0014","17.04","0.002","90","","109.332","0.002","90","","2308","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 F6 O11 S2 Sn -","- C12 H22 F6 O11 S2 Sn -","- C48 H88 F24 O44 S8 Sn4 -","4","1","","Charles L. B. Macdonald; Rajoshree Bandyopadhyay; Benjamin F. T. Cooper; Warren W. Friedl; Aaron J. Rossini; Robert W. Schurko; S. Holger Eichhorn; Rolfe H. Herber","Experimental and Computational Insights into the Stabilization of Low-Valent Main Group Elements Using Crown Ethers and Related Ligands","Journal of the American Chemical Society","2012","134","","4332","4345","10.1021/ja211135s","","","0.71073","MoKα","","0.0987","0.07","","","0.122","0.1325","","","","","","1.198","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117582","8.7518","0.0008","16.127","0.0014","14.8106","0.0013","90","","101.022","0.001","90","","2051.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 F6 O10 S2 Sn -","- C10 H18 F6 O10 S2 Sn -","- C40 H72 F24 O40 S8 Sn4 -","4","1","","Charles L. B. Macdonald; Rajoshree Bandyopadhyay; Benjamin F. T. Cooper; Warren W. Friedl; Aaron J. Rossini; Robert W. Schurko; S. Holger Eichhorn; Rolfe H. Herber","Experimental and Computational Insights into the Stabilization of Low-Valent Main Group Elements Using Crown Ethers and Related Ligands","Journal of the American Chemical Society","2012","134","","4332","4345","10.1021/ja211135s","","","0.71073","MoKα","","0.0521","0.0395","","","0.0954","0.1114","","","","","","1.133","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117583","33.975","0.003","33.975","0.003","33.975","0.003","90","","90","","90","","39217","6","188","2","188","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C27.5 H26.5 In N1.5 O9.5 -","- C20 H10 In O8 -","- C960 H480 In48 O384 -","48","1","","Dorina F. Sava; Lauren E. S. Rohwer; Mark A. Rodriguez; Tina M. Nenoff","Intrinsic Broad-Band White-Light Emission by a Tuned, Corrugated Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","3983","3986","10.1021/ja211230p","","","0.71073","MoKα","","0.1118","0.0691","","","0.2242","0.2664","","","","","","0.924","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117584","21.1293","0.0011","16.4835","0.001","24.969","0.0015","90","","92.76","0.003","90","","8686.2","0.9","223","2","223","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C56 H24 N13 O22.5 Ru2 Zn5 -","- C56 H24 N13 O22.5 Ru2 Zn5 -","- C224 H96 N52 O90 Ru8 Zn20 -","4","1","","Caleb A. Kent; Demin Liu; Thomas J. Meyer; Wenbin Lin","Amplified Luminescence Quenching of Phosphorescent Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","3991","3994","10.1021/ja211271m","","","1.54178","CuKα","","0.1486","0.0856","","","0.1957","0.2145","","","","","","0.896","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117585","19.543","0.002","7.6021","0.0009","19.03","0.003","90","","117.214","0.005","90","","2514.3","0.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C25 H33 N O3 S Si -","- C25 H33 N O3 S Si -","- C100 H132 N4 O12 S4 Si4 -","4","1","","Haejin Kim; Young Ho Rhee","Stereodefined N,O-Acetals: Pd-Catalyzed Synthesis from Homopropargylic Amines and Utility in the Flexible Synthesis of 2,6-Substituted Piperidines","Journal of the American Chemical Society","2012","134","","4011","4014","10.1021/ja2116298","","","0.71073","MoKα","","0.0604","0.0443","","","0.1052","0.1165","","","","","","1.033","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117586","6.3294","0.0005","14.236","0.0012","20.5165","0.0015","90","","90","","90","","1848.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C84 H92 N4 O12 S4 -","4","1","","Haejin Kim; Young Ho Rhee","Stereodefined N,O-Acetals: Pd-Catalyzed Synthesis from Homopropargylic Amines and Utility in the Flexible Synthesis of 2,6-Substituted Piperidines","Journal of the American Chemical Society","2012","134","","4011","4014","10.1021/ja2116298","","","0.71073","MoKα","","0.0734","0.0489","","","0.1099","0.1213","","","","","","1.035","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117587","30.495","0.002","12.5164","0.0009","13.3325","0.0012","90","","90","","90","","5088.9","0.7","153","2","153","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C47 H50 F6 Fe N6.5 O9.5 S2 -","- C45 H42 F6 Fe N6.5 O9 S2 -","- C180 H168 F24 Fe4 N26 O36 S8 -","4","1","","Justin M. Dragna; Gennaro Pescitelli; Lee Tran; Vincent M. Lynch; Eric V. Anslyn; Lorenzo Di Bari","In Situ Assembly of Octahedral Fe(II) Complexes for the Enantiomeric Excess Determination of Chiral Amines Using Circular Dichroism Spectroscopy","Journal of the American Chemical Society","2012","134","","4398","4407","10.1021/ja211768v","","","0.71069","MoKα","","0.1689","0.0948","","","0.157","0.1752","","","","","","1.373","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117588","6.5844","0.0007","8.8601","0.001","18.55","0.002","90","","90","","90","","1082.2","0.2","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0327","0.0318","","","0.0781","0.0789","","","","","","1.088","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117589","11.4894","0.0012","15.611","0.002","19.049","0.003","90","","90","","90","","3416.6","0.8","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C144 H180 N12 O36 -","12","3","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0961","0.086","","","0.2082","0.2161","","","","","","1.156","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117590","6.443","0.005","8.274","0.006","10.374","0.007","90","","97.033","0.017","90","","548.9","0.7","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 N O3 -","- C12 H19 N O3 -","- C24 H38 N2 O6 -","2","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.1182","0.0952","","","0.2242","0.2557","","","","","","1.008","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117591","6.5505","0.0004","8.8117","0.0005","18.9261","0.0011","90","","90","","90","","1092.43","0.11","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.032","0.0293","","","0.0759","0.0774","","","","","","1.023","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117592","6.7608","0.0003","11.1455","0.0004","21.7524","0.0009","90","","90","","90","","1639.1","0.12","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0268","0.0253","","","0.0626","0.0638","","","","","","1.044","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117593","13.793","0.002","6.1239","0.0009","17.4312","0.0018","90","","90.656","0.005","90","","1472.3","0.3","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H37 Cl3 N2 O2 -","- C33 H37 Cl3 N2 O2 -","- C66 H74 Cl6 N4 O4 -","2","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0745","0.0498","","","0.0994","0.1101","","","","","","1.014","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117594","6.139","0.0004","11.7027","0.0008","12.4248","0.0009","90","","90","","90","","892.63","0.11","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0237","0.0231","","","0.0615","0.0622","","","","","","1.083","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117595","19.5652","0.001","8.0489","0.0005","10.2863","0.0006","90","","92.028","0.002","90","","1618.85","0.16","143","1","143","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H46 N4 O7 -","- C38 H46 N4 O7 -","- C76 H92 N8 O14 -","2","0.5","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0366","0.0326","","","0.0811","0.0833","","","","","","1.003","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117596","8.7006","0.0008","7.1701","0.0006","12.1807","0.0011","90","","107.222","0.005","90","","725.81","0.11","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C38 H36 N4 O4 -","2","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0709","0.045","","","0.096","0.1057","","","","","","1.009","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117597","10.3226","0.0003","20.8136","0.0006","23.2182","0.0006","91.7591","0.0012","102.708","0.0014","94.3537","0.0015","4846.4","0.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C118 H138 Ge2 N2 -","- C118 H138 Ge2 N2 -","- C236 H276 Ge4 N4 -","2","1","","Zachary D. Brown; Petra Vasko; James C. Fettinger; Heikki M. Tuononen; Philip P. Power","A Germanium Isocyanide Complex Featuring (n →π*) Back-Bonding and Its Conversion to a Hydride/Cyanide Product via C-H Bond Activation under Mild Conditions","Journal of the American Chemical Society","2012","134","","4045","4048","10.1021/ja211874u","","","1.54178","CuKα","","0.052","0.0456","","","0.1285","0.133","","","","","","1.047","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117598","8.9615","0.0004","10.099","0.0005","23.368","0.0011","80.126","0.001","89.784","0.001","67.889","0.001","1926.01","0.16","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H51 Ge N -","- C49 H51 Ge N -","- C98 H102 Ge2 N2 -","2","1","","Zachary D. Brown; Petra Vasko; James C. Fettinger; Heikki M. Tuononen; Philip P. Power","A Germanium Isocyanide Complex Featuring (n →π*) Back-Bonding and Its Conversion to a Hydride/Cyanide Product via C-H Bond Activation under Mild Conditions","Journal of the American Chemical Society","2012","134","","4045","4048","10.1021/ja211874u","","","0.71073","MoKα","","0.0453","0.0399","","","0.109","0.1126","","","","","","1.047","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117599","23.154","0.0012","14.5068","0.0007","21.9732","0.0011","90","","118.006","0.001","90","","6516.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31.5 H40 N4 O9 S -","- C31.5 H40 N4 O9 S -","- C252 H320 N32 O72 S8 -","8","1","","Simon Duttwyler; Colin Lu; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Highly Diastereoselective Synthesis of Tetrahydropyridines by a C-H Activation-Cyclization-Reduction Cascade","Journal of the American Chemical Society","2012","134","","4064","4067","10.1021/ja2119833","","","0.71073","MoKα","","0.0619","0.0444","","","0.1108","0.1246","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117600","8.5613","0.0006","14.7639","0.001","20.8596","0.0014","90","","95.554","0.001","90","","2624.2","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 N4 O9 S -","- C25 H32 N4 O9 S -","- C100 H128 N16 O36 S4 -","4","1","","Simon Duttwyler; Colin Lu; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Highly Diastereoselective Synthesis of Tetrahydropyridines by a C-H Activation-Cyclization-Reduction Cascade","Journal of the American Chemical Society","2012","134","","4064","4067","10.1021/ja2119833","","","0.71073","MoKα","","0.0691","0.0494","","","0.1265","0.1405","","","","","","1.052","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117601","8.07","0.0006","17.2746","0.0013","20.2723","0.0016","96.16","0.004","90.466","0.005","90.301","0.004","2809.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H38 N4 O9 S -","- C24 H30 N4 O9.5 S -","- C96 H120 N16 O38 S4 -","4","2","","Simon Duttwyler; Colin Lu; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Highly Diastereoselective Synthesis of Tetrahydropyridines by a C-H Activation-Cyclization-Reduction Cascade","Journal of the American Chemical Society","2012","134","","4064","4067","10.1021/ja2119833","","","0.71073","MoKα","","0.0787","0.0553","","","0.153","0.1641","","","","","","1.057","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117602","8.6058","0.0002","10.5399","0.0002","12.7879","0.0003","83.815","0.001","84.729","0.001","67.359","0.001","1062.69","0.04","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H29 N -","- C27 H29 N -","- C54 H58 N2 -","2","1","","Simon Duttwyler; Colin Lu; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Highly Diastereoselective Synthesis of Tetrahydropyridines by a C-H Activation-Cyclization-Reduction Cascade","Journal of the American Chemical Society","2012","134","","4064","4067","10.1021/ja2119833","","","1.54178","CuKα","","0.0424","0.0404","","","0.1131","0.1154","","","","","","1.046","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117603","8.6491","0.0004","9.9416","0.0004","24.6891","0.0009","90","","90","","90","","2122.91","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 N -","- C27 H29 N -","- C108 H116 N4 -","4","1","","Simon Duttwyler; Colin Lu; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Highly Diastereoselective Synthesis of Tetrahydropyridines by a C-H Activation-Cyclization-Reduction Cascade","Journal of the American Chemical Society","2012","134","","4064","4067","10.1021/ja2119833","","","1.54178","CuKα","","0.0579","0.0456","","","0.1113","0.1176","","","","","","0.977","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117604","33.226","0.003","33.226","0.003","5.1868","0.001","90","","90","","90","","5726.1","1.3","153","2","153","2","","","","","","","","3","I -4","I -4","82","","","","- C38 H41 N6 -","- C35 H34 N6 -","- C280 H272 N48 -","8","1","","Zhan Zhang; Jong Min Lim; Masatoshi Ishida; Vladimir V. Roznyatovskiy; Vincent M. Lynch; Han-Yuan Gong; Xiaoping Yang; Dongho Kim; Jonathan L. Sessler","Cyclo[m]pyridine[n]pyrroles: Hybrid Macrocycles That Display Expanded π-Conjugation upon Protonation","Journal of the American Chemical Society","2012","134","","4076","4079","10.1021/ja211985k","","","0.71075","MoKα","","0.0533","0.0445","","","0.1177","0.1229","","","","","","1.075","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117605","15.214","0.0006","15.826","0.0007","17.815","0.0008","92.132","0.001","112.462","0.001","94.725","0.001","3939.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H37 Cl3 F6 N6 O4 -","- C40 H37 Cl3 F6 N6 O4 -","- C160 H148 Cl12 F24 N24 O16 -","4","2","","Zhan Zhang; Jong Min Lim; Masatoshi Ishida; Vladimir V. Roznyatovskiy; Vincent M. Lynch; Han-Yuan Gong; Xiaoping Yang; Dongho Kim; Jonathan L. Sessler","Cyclo[m]pyridine[n]pyrroles: Hybrid Macrocycles That Display Expanded π-Conjugation upon Protonation","Journal of the American Chemical Society","2012","134","","4076","4079","10.1021/ja211985k","","","0.71075","MoKα","","0.0795","0.0603","","","0.1634","0.1781","","","","","","1.04","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117606","11.111","0.0006","11.692","0.0006","15.214","0.0008","76.939","0.001","83.64","0.001","62.372","0.001","1705.75","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H50 N6 -","- C42 H50 N6 -","- C84 H100 N12 -","2","1","","Zhan Zhang; Jong Min Lim; Masatoshi Ishida; Vladimir V. Roznyatovskiy; Vincent M. Lynch; Han-Yuan Gong; Xiaoping Yang; Dongho Kim; Jonathan L. Sessler","Cyclo[m]pyridine[n]pyrroles: Hybrid Macrocycles That Display Expanded π-Conjugation upon Protonation","Journal of the American Chemical Society","2012","134","","4076","4079","10.1021/ja211985k","","","0.71075","MoKα","","0.0595","0.0458","","","0.1073","0.1137","","","","","","1.07","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117607","10.865","0.0006","11.485","0.0006","17.7","0.001","97.433","0.002","94.545","0.002","105.234","0.001","2098.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H52 F6 N6 O4 -","- C46 H52 F6 N6 O4 -","- C92 H104 F12 N12 O8 -","2","1","","Zhan Zhang; Jong Min Lim; Masatoshi Ishida; Vladimir V. Roznyatovskiy; Vincent M. Lynch; Han-Yuan Gong; Xiaoping Yang; Dongho Kim; Jonathan L. Sessler","Cyclo[m]pyridine[n]pyrroles: Hybrid Macrocycles That Display Expanded π-Conjugation upon Protonation","Journal of the American Chemical Society","2012","134","","4076","4079","10.1021/ja211985k","","","0.71075","MoKα","","0.1058","0.0653","","","0.15","0.1696","","","","","","1.044","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117608","9.191","0.0005","9.997","0.0006","13.435","0.0008","78.043","0.002","76.403","0.002","69.467","0.002","1113.02","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H55 Cl6.98 N6 O0.34 -","- C44 H53.66 Cl6.98 N6 O0.34 -","- C44 H53.66 Cl6.98 N6 O0.34 -","1","0.5","","Zhan Zhang; Jong Min Lim; Masatoshi Ishida; Vladimir V. Roznyatovskiy; Vincent M. Lynch; Han-Yuan Gong; Xiaoping Yang; Dongho Kim; Jonathan L. Sessler","Cyclo[m]pyridine[n]pyrroles: Hybrid Macrocycles That Display Expanded π-Conjugation upon Protonation","Journal of the American Chemical Society","2012","134","","4076","4079","10.1021/ja211985k","","","0.71075","MoKα","","0.0714","0.053","","","0.1187","0.1278","","","","","","1.071","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117609","12.63","0.0015","16.2","0.0019","12.83","0.0015","90","","105","0.003","90","","2535.6","0.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 Cl3 N3 O3 S -","- C23 H30 Cl3 N3 O3 S -","- C92 H120 Cl12 N12 O12 S4 -","4","1","","Zhan Zhang; Jong Min Lim; Masatoshi Ishida; Vladimir V. Roznyatovskiy; Vincent M. Lynch; Han-Yuan Gong; Xiaoping Yang; Dongho Kim; Jonathan L. Sessler","Cyclo[m]pyridine[n]pyrroles: Hybrid Macrocycles That Display Expanded π-Conjugation upon Protonation","Journal of the American Chemical Society","2012","134","","4076","4079","10.1021/ja211985k","","","0.71075","MoKα","","0.052","0.0386","","","0.0907","0.0974","","","","","","1.046","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117610","9.7241","0.0008","14.7348","0.0012","18.8022","0.0015","90","","98.826","0.004","90","","2662.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 B F15 N -","- C27 H21 B F15 N -","- C108 H84 B4 F60 N4 -","4","1","","Tayseer Mahdi; Zachariah M. Heiden; Stefan Grimme; Douglas W. Stephan","Metal-Free Aromatic Hydrogenation: Aniline to Cyclohexyl-amine Derivatives","Journal of the American Chemical Society","2012","134","","4088","4091","10.1021/ja300228a","","","0.71073","MoKα","","0.0591","0.0361","","","0.0792","0.0898","","","","","","1.007","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117611","12.6342","0.0006","18.1939","0.0008","12.8612","0.0006","90","","90.269","0.002","90","","2956.3","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 B F15 N -","- C30 H25 B F15 N -","- C120 H100 B4 F60 N4 -","4","1","","Tayseer Mahdi; Zachariah M. Heiden; Stefan Grimme; Douglas W. Stephan","Metal-Free Aromatic Hydrogenation: Aniline to Cyclohexyl-amine Derivatives","Journal of the American Chemical Society","2012","134","","4088","4091","10.1021/ja300228a","","","0.71073","MoKα","","0.0486","0.0352","","","0.0866","0.0947","","","","","","1.024","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117612","15.3873","0.0003","15.3873","0.0003","23.2288","0.0004","90","","90","","120","","4763.02","0.15","193","2","193","2","","","","","","","","3","P 32","P 32","145","","","","- C45 H36 O -","- C45 H36 O -","- C270 H216 O6 -","6","2","","Yayoi Sawada; Seiichi Furumi; Atsuro Takai; Masayuki Takeuchi; Keiichi Noguchi; Ken Tanaka","Rhodium-Catalyzed Enantioselective Synthesis, Crystal Structures, and Photophysical Properties of Helically Chiral 1,1'-Bitriphenylenes","Journal of the American Chemical Society","2012","134","","4080","4083","10.1021/ja300278e","","","1.54187","CuKα","","0.0339","0.0326","","","0.0857","0.0865","","","","","","1.224","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117613","15.3425","0.0003","15.367","0.0003","23.8764","0.0004","72.5438","0.0007","81.2377","0.0007","60.1809","0.0008","4659.02","0.16","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C43 H30 Cl2 O -","- C43 H30 Cl2 O -","- C258 H180 Cl12 O6 -","6","6","","Yayoi Sawada; Seiichi Furumi; Atsuro Takai; Masayuki Takeuchi; Keiichi Noguchi; Ken Tanaka","Rhodium-Catalyzed Enantioselective Synthesis, Crystal Structures, and Photophysical Properties of Helically Chiral 1,1'-Bitriphenylenes","Journal of the American Chemical Society","2012","134","","4080","4083","10.1021/ja300278e","","","1.54187","CuKα","","0.0499","0.0414","","","0.102","0.1162","","","","","","1.121","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117614","14.127","0.0003","15.3789","0.0003","17.9513","0.0003","90","","90","","90","","3900.06","0.13","193","2","193","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C57 H44 -","- C57 H44 -","- C228 H176 -","4","1","","Yayoi Sawada; Seiichi Furumi; Atsuro Takai; Masayuki Takeuchi; Keiichi Noguchi; Ken Tanaka","Rhodium-Catalyzed Enantioselective Synthesis, Crystal Structures, and Photophysical Properties of Helically Chiral 1,1'-Bitriphenylenes","Journal of the American Chemical Society","2012","134","","4080","4083","10.1021/ja300278e","","","1.54187","CuKα","","0.0414","0.0402","","","0.1046","0.1067","","","","","","1.143","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117615","8.3652","0.0017","10.028","0.002","14.09","0.003","98.36","0.03","104.82","0.03","109.95","0.03","1038.3","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 Cl6 N6 O2 S2 -","- C38 H40 Cl6 N6 O2 S2 -","- C38 H40 Cl6 N6 O2 S2 -","1","0.5","","Yali Qiao; Yunlong Guo; Chunmeng Yu; Fengjiao Zhang; Wei Xu; Yunqi Liu; Daoben Zhu","Diketopyrrolopyrrole-Containing Quinoidal Small Molecules for High-Performance, Air-Stable, and Solution-Processable n-Channel Organic Field-Effect Transistors","Journal of the American Chemical Society","2012","134","","4084","4087","10.1021/ja3003183","","","0.71073","MoKα","","0.0917","0.0757","","","0.1626","0.1738","","","","","","1.121","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117616","16.5507","0.0002","20.7091","0.0003","17.0698","0.0002","90","","114.425","0.0011","90","","5327.04","0.13","103","","103","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H84 Si10 -","- C40 H84 Si10 -","- C160 H336 Si40 -","4","0.5","","Tomohiro Agou; Yusuke Sugiyama; Takahiro Sasamori; Heisuke Sakai; Yukio Furukawa; Nozomi Takagi; Jing-Dong Guo; Shigeru Nagase; Daisuke Hashizume; Norihiro Tokitoh","Synthesis of Kinetically Stabilized 1,2-Dihydrodisilenes","Journal of the American Chemical Society","2012","134","","4120","4123","10.1021/ja300694p","","","0.71073","MoKα","","0.0329","0.0287","","","0.0785","0.0811","","","","","","1.043","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117617","9.4959","0.0001","12.1807","0.0001","13.4345","0.0002","63.754","0.0007","81.2453","0.0006","74.1312","0.0007","1339.72","0.03","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H86 Si10 -","- C40 H86 Si10 -","- C40 H86 Si10 -","1","0.5","","Tomohiro Agou; Yusuke Sugiyama; Takahiro Sasamori; Heisuke Sakai; Yukio Furukawa; Nozomi Takagi; Jing-Dong Guo; Shigeru Nagase; Daisuke Hashizume; Norihiro Tokitoh","Synthesis of Kinetically Stabilized 1,2-Dihydrodisilenes","Journal of the American Chemical Society","2012","134","","4120","4123","10.1021/ja300694p","","","0.71073","MoKα","","0.0429","0.035","","","0.1056","0.1114","","","","","","1.026","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117618","12.692","0.003","12.756","0.002","19.255","0.004","73.449","0.01","76.985","0.01","65.272","0.008","2694","1","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H84 Si10 -","- C40 H84 Si10 -","- C80 H168 Si20 -","2","1","","Tomohiro Agou; Yusuke Sugiyama; Takahiro Sasamori; Heisuke Sakai; Yukio Furukawa; Nozomi Takagi; Jing-Dong Guo; Shigeru Nagase; Daisuke Hashizume; Norihiro Tokitoh","Synthesis of Kinetically Stabilized 1,2-Dihydrodisilenes","Journal of the American Chemical Society","2012","134","","4120","4123","10.1021/ja300694p","","","0.71075","MoKα","","0.0507","0.0434","","","0.1112","0.1205","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117619","12.622","0.003","5.2414","0.0014","22.052","0.006","90","","93.864","0.003","90","","1455.6","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H37 N O15 S -","- C25 H37 N O15 S -","- C50 H74 N2 O30 S2 -","2","1","","Jessica R. Kramer; Timothy J. Deming","Glycopolypeptides with a Redox-Triggered Helix-to-Coil Transition","Journal of the American Chemical Society","2012","134","","4112","4115","10.1021/ja3007484","","","0.71073","MoKα","","0.0934","0.0659","","","0.168","0.1826","","","","","","1.07","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117620","6.9154","0.0002","6.9154","0.0002","8.1399","0.0004","90","","90","","120","","337.12","0.02","300","","300","","","","","","","","","5","P 3 1 2","P 3 2","149","","Potassium Manganese Dicyanoargentate","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","","Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin","Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3","Journal of the American Chemical Society","2012","134","","4454","4456","10.1021/ja204908m","","","0.71073","MoKα","","0.028","0.0259","","0.0654","0.0619","0.0654","","","","","","0.8527","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117621","6.8904","0.0002","6.8904","0.0002","8.1649","0.0004","90","","90","","120","","335.71","0.02","250","","250","","","","","","","","","5","P 3 1 2","P 3 2","149","","Potassium Manganese Dicyanoargentate","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","","Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin","Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3","Journal of the American Chemical Society","2012","134","","4454","4456","10.1021/ja204908m","","","0.71073","MoKα","","0.0287","0.0267","","0.0694","0.0638","0.0694","","","","","","0.9169","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117622","6.866","0.0002","6.866","0.0002","8.1895","0.0004","90","","90","","120","","334.35","0.02","200","","200","","","","","","","","","5","P 3 1 2","P 3 2","149","","Potassium Manganese Dicyanoargentate","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","","Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin","Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3","Journal of the American Chemical Society","2012","134","","4454","4456","10.1021/ja204908m","","","0.71073","MoKα","","0.0257","0.0242","","0.0599","0.0583","0.0599","","","","","","0.8782","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117623","6.8431","0.0002","6.8431","0.0002","8.2137","0.0004","90","","90","","120","","333.1","0.02","150","","150","","","","","","","","","5","P 3 1 2","P 3 2","149","","Potassium Manganese Dicyanoargentate","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","","Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin","Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3","Journal of the American Chemical Society","2012","134","","4454","4456","10.1021/ja204908m","","","0.71073","MoKα","","0.0239","0.0237","","0.0598","0.057","0.0598","","","","","","0.9461","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117624","6.8214","0.0002","6.8214","0.0002","8.2353","0.0004","90","","90","","120","","331.86","0.02","100","","100","","","","","","","","","5","P 3 1 2","P 3 2","149","","Potassium Manganese Dicyanoargentate","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","","Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin","Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3","Journal of the American Chemical Society","2012","134","","4454","4456","10.1021/ja204908m","","","0.71073","MoKα","","0.0178","0.0178","","0.042","0.042","0.042","","","","","","0.9328","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117625","16.9929","0.0009","7.3879","0.0004","17.139","0.0009","90","","95.18","0.003","90","","2142.9","0.2","100","2","100","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C25 H30 O6 -","- C25 H30 O6 -","- C100 H120 O24 -","4","1","","Hsien-Chun Lo; Ruth Entwistle; Chun-Jun Guo; Manmeet Ahuja; Edyta Szewczyk; Jui-Hsiang Hung; Yi-Ming Chiang; Berl R. Oakley; Clay C. C. Wang","Two Separate Gene Clusters Encode the Biosynthetic Pathway for the Meroterpenoids Austinol and Dehydroaustinol in Aspergillus nidulans","Journal of the American Chemical Society","2012","134","","4709","4720","10.1021/ja209809t","","","0.71073","MoKα","","0.0407","0.0361","","","0.0561","0.0565","","","","","","1.977","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117626","13.2022","0.0002","7.6135","0.0001","31.0128","0.0005","90","","99.863","0.001","90","","3071.18","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 F6 Mg N2 O8 -","- C29 H24 F6 Mg N2 O8 -","- C116 H96 F24 Mg4 N8 O32 -","4","1","","Ana E. Platero-Prats; Víctor A. de la Peña-O'Shea; Davide M. Proserpio; Natalia Snejko; Enrique Gutiérrez-Puebla; Ángeles Monge","Insight into the SBU Condensation in Mg Coordination and Supramolecular Frameworks: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2012","134","","4762","4771","10.1021/ja210564a","","","1.54178","CuKα","","0.065","0.0464","","","0.1189","0.132","","","","","","1.035","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117627","7.3064","0.0002","32.6024","0.001","12.5442","0.0004","90","","90","","90","","2988.11","0.16","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C29 H24 F6 Mg N2 O8 -","- C29 H24 F6 Mg N2 O8 -","- C116 H96 F24 Mg4 N8 O32 -","4","0.5","","Ana E. Platero-Prats; Víctor A. de la Peña-O'Shea; Davide M. Proserpio; Natalia Snejko; Enrique Gutiérrez-Puebla; Ángeles Monge","Insight into the SBU Condensation in Mg Coordination and Supramolecular Frameworks: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2012","134","","4762","4771","10.1021/ja210564a","","","1.54178","CuKα","","0.0548","0.046","","","0.1261","0.1329","","","","","","1.055","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117628","45.303","0.0008","10.6226","0.0002","8.8701","0.0002","90","","90.215","0.001","90","","4268.58","0.15","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H26 F12 Mg N2 O8 -","- C46 H26 F12 Mg N2 O8 -","- C184 H104 F48 Mg4 N8 O32 -","4","0.5","","Ana E. Platero-Prats; Víctor A. de la Peña-O'Shea; Davide M. Proserpio; Natalia Snejko; Enrique Gutiérrez-Puebla; Ángeles Monge","Insight into the SBU Condensation in Mg Coordination and Supramolecular Frameworks: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2012","134","","4762","4771","10.1021/ja210564a","","","1.54178","CuKα","","0.0409","0.0352","","","0.0926","0.0969","","","","","","1.03","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117629","9.3105","0.0003","26.894","0.0008","11.2146","0.0003","90","","90","","90","","2808.1","0.14","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C29 H20 F6 Mg N2 O6 -","- C29 H20 F6 Mg N2 O6 -","- C116 H80 F24 Mg4 N8 O24 -","4","0.5","","Ana E. Platero-Prats; Víctor A. de la Peña-O'Shea; Davide M. Proserpio; Natalia Snejko; Enrique Gutiérrez-Puebla; Ángeles Monge","Insight into the SBU Condensation in Mg Coordination and Supramolecular Frameworks: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2012","134","","4762","4771","10.1021/ja210564a","","","1.54178","CuKα","","0.0654","0.0634","","","0.143","0.1452","","","","","","1.16","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117630","20.9727","0.0005","9.3428","0.0002","27.9724","0.0006","90","","90","","90","","5481","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H18 F6 Mg N2 O5 -","- C29 H18 F6 Mg N2 O5 -","- C232 H144 F48 Mg8 N16 O40 -","8","1","","Ana E. Platero-Prats; Víctor A. de la Peña-O'Shea; Davide M. Proserpio; Natalia Snejko; Enrique Gutiérrez-Puebla; Ángeles Monge","Insight into the SBU Condensation in Mg Coordination and Supramolecular Frameworks: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2012","134","","4762","4771","10.1021/ja210564a","","","1.54178","CuKα","","0.0425","0.0305","","","0.0724","0.0789","","","","","","1.052","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117631","8.5265","0.0008","15.0901","0.0014","18.2616","0.0017","90","","90","","90","","2349.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 N O2 P -","- C30 H24 N O2 P -","- C120 H96 N4 O8 P4 -","4","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.0542","0.0435","","","0.0888","0.0927","","","","","","0.974","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117632","8.819","0.002","15.267","0.004","9.468","0.002","90","","104.101","0.005","90","","1236.4","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H26 N O2 P -","- C31 H26 N O2 P -","- C62 H52 N2 O4 P2 -","2","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.0501","0.045","","","0.1034","0.1062","","","","","","1.003","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117633","8.2558","0.0007","13.4291","0.0011","19.6028","0.0015","90","","90","","90","","2173.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N O2 P -","- C26 H24 N O2 P -","- C104 H96 N4 O8 P4 -","4","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.0557","0.052","","","0.1466","0.1505","","","","","","1.044","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117634","16.03","0.003","18.438","0.004","8.0032","0.0016","90","","90","","90","","2365.4","0.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C29 H28 N O2 P -","- C29 H28 N O2 P -","- C116 H112 N4 O8 P4 -","4","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.0579","0.049","","","0.1119","0.1159","","","","","","1.066","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117635","11.5909","0.0012","12.9494","0.0013","17.5333","0.0017","96.829","0.002","95.085","0.002","109.859","0.001","2434","0.4","133","2","133","2","","","","","","","","9","P -1","-P 1","2","","","","- C52 H59 Cl2 F3 Ir N O5 P S -","- C52 H59 Cl2 F3 Ir N O5 P S -","- C104 H118 Cl4 F6 Ir2 N2 O10 P2 S2 -","2","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.0538","0.0418","","","0.1128","0.1213","","","","","","0.929","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117636","22.8013","0.0019","11.9886","0.001","17.5732","0.0015","90","","93.3","0.001","90","","4795.8","0.7","133","2","133","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C55 H52 Cl2 F3 Ir N O5 P S -","- C55 H52 Cl2 F3 Ir N O5 P S -","- C220 H208 Cl8 F12 Ir4 N4 O20 P4 S4 -","4","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.08","0.0383","","","0.0914","0.112","","","","","","1.011","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117637","11.25","0.002","20.725","0.004","21.178","0.004","90","","97.717","0.003","90","","4893.1","1.6","133","2","133","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C49.75 H52.5 Cl3.5 F6 Ir N O2 P Sb -","- C49.75 H48 Cl3.5 F6 Ir N O2 P Sb -","- C199 H192 Cl14 F24 Ir4 N4 O8 P4 Sb4 -","4","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.0865","0.0556","","","0.1454","0.1651","","","","","","1.058","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117638","5.824","0.0006","12.8616","0.0012","20.943","0.002","90","","90","","90","","1568.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","07159a","","","- C16 H20 Cl N O2 -","- C16 H20 Cl N O2 -","- C64 H80 Cl4 N4 O8 -","4","1","","Barry M. Trost; Steven M. Silverman","Enantioselective Construction of Pyrrolidines by Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of Trimethylenemethane with Imines","Journal of the American Chemical Society","2012","134","","4941","4954","10.1021/ja210981a","","","0.71073","MoKα","","0.0414","0.0335","","","0.0729","0.0765","","","","","","1.061","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117639","9.8098","0.0002","10.8229","0.0002","17.5387","0.0003","90","","90","","90","","1862.09","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N2 O4 S -","- C20 H18 N2 O4 S -","- C80 H72 N8 O16 S4 -","4","1","","Barry M. Trost; Steven M. Silverman","Enantioselective Construction of Pyrrolidines by Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of Trimethylenemethane with Imines","Journal of the American Chemical Society","2012","134","","4941","4954","10.1021/ja210981a","","","1.54178","CuKα","","0.0328","0.0304","","","0.0796","0.0812","","","","","","1.074","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117640","8.9014","0.0002","11.7597","0.0002","17.7704","0.0004","90","","90","","90","","1860.17","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C84 H88 N8 O12 S4 -","4","1","","Barry M. Trost; Steven M. Silverman","Enantioselective Construction of Pyrrolidines by Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of Trimethylenemethane with Imines","Journal of the American Chemical Society","2012","134","","4941","4954","10.1021/ja210981a","","","1.54178","CuKα","","0.0259","0.0252","","","0.0662","0.0666","","","","","","1.045","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117641","7.7604","0.0013","9.8685","0.0017","18.125","0.003","90","","114.522","0.006","90","","1262.9","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 N8 O8 S4 -","- C52 H48 N8 O8 S4 -","- C52 H48 N8 O8 S4 -","1","0.25","","Barry M. Trost; Steven M. Silverman","Enantioselective Construction of Pyrrolidines by Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of Trimethylenemethane with Imines","Journal of the American Chemical Society","2012","134","","4941","4954","10.1021/ja210981a","","","0.71073","MoKα","","0.0443","0.036","","","0.0916","0.0966","","","","","","1.057","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117642","27.6862","0.0013","27.7671","0.0013","13.9934","0.0007","90","","90","","90","","10757.6","0.9","150","2","150","2","","","","","","","","6","P c c 2","P 2 -2c","27","","","","- C96 H66 Cu6 I12 N8 O18 -","- C96 H66 Cu6 I12 N8 O18 -","- C384 H264 Cu24 I48 N32 O72 -","4","1","","Zheng Yin; Qiang-Xin Wang; Ming-Hua Zeng","Iodine Release and Recovery, Influence of Polyiodide Anions on Electrical Conductivity and Nonlinear Optical Activity in an Interdigitated and Interpenetrated Bipillared-Bilayer Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","4857","4863","10.1021/ja211381e","","","0.71073","MoKα","","0.1077","0.103","","","0.2898","0.295","","","","","","1.236","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117643","37.1296","0.0008","36.288","0.0007","37.2869","0.0007","90","","92.074","0.002","90","","50205.9","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C216 H408 Ge24 N48 Se132 Sn36 -","- C189 H357 Ge24 N42 Se132 Sn36 -","- C756 H1428 Ge96 N168 Se528 Sn144 -","4","1","","Yumei Lin; Werner Massa; Stefanie Dehnen","""Zeoball"" [Sn36Ge24Se132]24-: A Molecular Anion with Zeolite-Related Composition and Spherical Shape","Journal of the American Chemical Society","2012","134","","4497","4500","10.1021/ja2115635","","","0.71073","MoKα","","0.1875","0.078","","","0.1449","0.1718","","","","","","0.911","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117644","24.3196","0.0011","24.4009","0.0009","26.7435","0.001","115.848","0.003","97.969","0.003","108.901","0.003","12761.4","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C192 H360 Ge27.49 N48 Se132 Sn32.51 -","- C192 H360 Ge27.494 N48 Se132 Sn32.506 -","- C192 H360 Ge27.494 N48 Se132 Sn32.506 -","1","0.5","","Yumei Lin; Werner Massa; Stefanie Dehnen","""Zeoball"" [Sn36Ge24Se132]24-: A Molecular Anion with Zeolite-Related Composition and Spherical Shape","Journal of the American Chemical Society","2012","134","","4497","4500","10.1021/ja2115635","","","0.71073","MoKα","","0.2422","0.0636","","","0.0952","0.1254","","","","","","0.741","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117645","6.2741","0.001","6.2741","0.001","5.4944","0.0009","90","","90","","90","","216.28","0.06","295","2","295","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Au3 Ge Sr -","- Au3 Ge Sr -","- Au6 Ge2 Sr2 -","2","0.125","","Qisheng Lin; John D Corbett","Formation of Nets of Corner-Shared Bicapped Gold Squares in SrAu3Ge: How a BaAl4- Type Derivative Reconciles Fewer Valence Electrons and the Origin of Its Uniaxial Negative Thermal Expansion","Journal of the American Chemical Society","2012","134","","4877","4884","10.1021/ja211625w","","","0.71073","MoKα","","0.0326","0.0277","","","0.056","0.0574","","","","","","1.128","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117646","6.2638","0.001","6.2638","0.001","5.5082","0.0009","90","","90","","90","","216.12","0.06","173","2","173","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Au3 Ge Sr -","- Au3 Ge Sr -","- Au6 Ge2 Sr2 -","2","0.125","","Qisheng Lin; John D Corbett","Formation of Nets of Corner-Shared Bicapped Gold Squares in SrAu3Ge: How a BaAl4- Type Derivative Reconciles Fewer Valence Electrons and the Origin of Its Uniaxial Negative Thermal Expansion","Journal of the American Chemical Society","2012","134","","4877","4884","10.1021/ja211625w","","","0.71073","MoKα","","0.0284","0.0223","","","0.0499","0.0511","","","","","","1.223","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117647","6.249","0.0009","6.249","0.0009","5.5104","0.0008","90","","90","","90","","215.18","0.05","110","2","110","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Au3 Ge Sr -","- Au3 Ge Sr -","- Au6 Ge2 Sr2 -","2","0.125","","Qisheng Lin; John D Corbett","Formation of Nets of Corner-Shared Bicapped Gold Squares in SrAu3Ge: How a BaAl4- Type Derivative Reconciles Fewer Valence Electrons and the Origin of Its Uniaxial Negative Thermal Expansion","Journal of the American Chemical Society","2012","134","","4877","4884","10.1021/ja211625w","","","0.71073","MoKα","","0.0223","0.0214","","","0.0483","0.0485","","","","","","1.209","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117648","13.8677","0.0002","13.9904","0.0002","17.9662","0.0002","98.9897","0.0005","102.076","0.0005","94.9361","0.0006","3341.16","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H63 B F25 P2 Rh -","- C63 H63 B F25 P2 Rh -","- C126 H126 B2 F50 P4 Rh2 -","2","1","","Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis","Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands","Journal of the American Chemical Society","2012","134","","4885","4897","10.1021/ja211649a","","","0.71073","MoKα","","0.0544","0.0416","","","0.1071","0.1134","","","","","","1.073","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117649","23.1637","0.0002","12.7303","0.0002","22.4993","0.0003","90","","113.821","0.0005","90","","6069.41","0.14","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C59 H59 B F25 P2 Rh -","- C59 H59 B F25 P2 Rh -","- C236 H236 B4 F100 P8 Rh4 -","4","1","","Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis","Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands","Journal of the American Chemical Society","2012","134","","4885","4897","10.1021/ja211649a","","","0.71073","MoKα","","0.0513","0.0388","","","0.0794","0.0851","","","","","","1.022","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117650","12.5024","0.0001","19.9855","0.0002","26.3918","0.0003","78.6713","0.0007","86.0042","0.0007","74.4807","0.0005","6229.18","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H57.5 B F25.5 P2 Rh -","- C58 H57.5 B F25.5 P2 Rh -","- C232 H230 B4 F102 P8 Rh4 -","4","2","","Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis","Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands","Journal of the American Chemical Society","2012","134","","4885","4897","10.1021/ja211649a","","","0.71073","MoKα","","0.1274","0.0705","","","0.169","0.1908","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117651","25.3048","0.0002","19.0247","0.0001","25.8306","0.0002","90","","90","","90","","12435.3","0.15","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C57 H58 B F24 O P2 Rh S -","- C57 H58 B F24 O P2 Rh S -","- C456 H464 B8 F192 O8 P16 Rh8 S8 -","8","1","","Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis","Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands","Journal of the American Chemical Society","2012","134","","4885","4897","10.1021/ja211649a","","","0.71073","MoKα","","0.0628","0.0379","","","0.0899","0.1008","","","","","","1.019","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117652","20.6581","0.0001","15.8107","0.0001","21.9696","0.0002","90","","117.474","0.0003","90","","6366.43","0.08","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C59 H61 B F24 N O P2 Rh S -","- C59 H61 B F24 N O P2 Rh S -","- C236 H244 B4 F96 N4 O4 P8 Rh4 S4 -","4","1","","Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis","Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands","Journal of the American Chemical Society","2012","134","","4885","4897","10.1021/ja211649a","","","0.71073","MoKα","","0.0588","0.0417","","","0.1014","0.1109","","","","","","1.023","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117653","9.8396","0.0003","10.9979","0.0003","15.9861","0.0004","90","","97.7476","0.0012","90","","1714.14","0.08","150","2","150","2","","","","","","","","10","P 1 c 1","P -2yc","7","","","","- C28 H50 B Cl2 F3 N O P2 Rh S -","- C28 H50 B Cl2 F3 N O P2 Rh S -","- C56 H100 B2 Cl4 F6 N2 O2 P4 Rh2 S2 -","2","1","","Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis","Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands","Journal of the American Chemical Society","2012","134","","4885","4897","10.1021/ja211649a","","","0.71073","MoKα","","0.0433","0.0377","","","0.0758","0.0787","","","","","","1.037","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117654","9.5692","0.0018","13.611","0.003","7.5604","0.0014","90","","92.24","0.003","90","","984","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 S2 Si2 -","- C18 H26 S2 Si2 -","- C36 H52 S4 Si4 -","2","0.5","","Rebekka S. Klausen; Jonathan R. Widawsky; Michael L. Steigerwald; Latha Venkataraman; Colin Nuckolls","Conductive Molecular Silicon","Journal of the American Chemical Society","2012","134","","4541","4544","10.1021/ja211677q","","","0.71073","MoKα","","0.0481","0.0342","","","0.0929","0.1007","","","","","","1.026","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117655","12.5452","0.0009","7.8373","0.0006","14.285","0.001","90","","90.257","0.004","90","","1404.49","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H38 S2 Si4 -","- C22 H38 S2 Si4 -","- C44 H76 S4 Si8 -","2","0.5","","Rebekka S. Klausen; Jonathan R. Widawsky; Michael L. Steigerwald; Latha Venkataraman; Colin Nuckolls","Conductive Molecular Silicon","Journal of the American Chemical Society","2012","134","","4541","4544","10.1021/ja211677q","","","1.54178","CuKα","","0.047","0.038","","","0.101","0.108","","","","","","1.05","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117656","10.2871","0.0002","11.244","0.0002","17.2488","0.0003","79.01","0.001","84.608","0.001","63.709","0.001","1755.84","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H54 O4 W -","- C39 H54 O4 W -","- C78 H108 O8 W2 -","2","1","","Soumya Sarkar; Kevin P. McGowan; Subramaniam Kuppuswamy; Ion Ghiviriga; Khalil A. Abboud; Adam S. Veige","An OCO3-Trianionic Pincer Tungsten(VI) Alkylidyne: Rational Design of a Highly Active Alkyne Polymerization Catalyst","Journal of the American Chemical Society","2012","134","","4509","4512","10.1021/ja2117975","","","0.71073","MoKα","","0.03","0.0254","","","0.0537","0.0547","","","","","","1.06","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117657","11.2257","0.0012","18.63","0.002","14.8896","0.0016","90","","98.466","0.002","90","","3080","0.6","296","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H46 O3 W -","- C35 H46 O3 W -","- C140 H184 O12 W4 -","4","1","","Soumya Sarkar; Kevin P. McGowan; Subramaniam Kuppuswamy; Ion Ghiviriga; Khalil A. Abboud; Adam S. Veige","An OCO3-Trianionic Pincer Tungsten(VI) Alkylidyne: Rational Design of a Highly Active Alkyne Polymerization Catalyst","Journal of the American Chemical Society","2012","134","","4509","4512","10.1021/ja2117975","","","0.71073","MoKα","","0.0491","0.0262","","","0.0494","0.0532","","","","","","0.912","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117658","16.6415","0.0008","11.6477","0.0005","18.3227","0.0009","90","","90","","90","","3551.6","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C39 H52 O4 W -","- C39 H52 O4 W -","- C156 H208 O16 W4 -","4","1","","Soumya Sarkar; Kevin P. McGowan; Subramaniam Kuppuswamy; Ion Ghiviriga; Khalil A. Abboud; Adam S. Veige","An OCO3-Trianionic Pincer Tungsten(VI) Alkylidyne: Rational Design of a Highly Active Alkyne Polymerization Catalyst","Journal of the American Chemical Society","2012","134","","4509","4512","10.1021/ja2117975","","","0.71073","MoKα","","0.0282","0.0218","","","0.0469","0.0485","","","","","","0.952","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117659","16.8753","0.0013","16.8753","0.0013","16.8753","0.0013","90","","90","","90","","4805.7","0.6","296","2","296","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C36 H37 In3 N3 Nd O26 -","- C36 H30 In3 N3 Nd O25.99 -","- C144 H120 In12 N12 Nd4 O103.96 -","4","0.333333","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0712","0.0531","","","0.1272","0.1406","","","","","","1.081","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117660","16.8845","0.0002","16.8845","0.0002","16.8845","0.0002","90","","90","","90","","4813.54","0.1","296","2","296","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C36 H37 In3 N3 O26 Sm -","- C36 H30 In3 N3 O26 Sm -","- C144 H120 In12 N12 O104 Sm4 -","4","0.333333","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0449","0.036","","","0.0936","0.1074","","","","","","1.17","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117661","27.1319","0.0003","27.1319","0.0003","27.1319","0.0003","90","","90","","90","","19972.9","0.4","296","2","296","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C81 H60 In3 N Nd2 O31 -","- C81 H45 In3 N0.99 Nd2 O28 -","- C324 H180 In12 N3.96 Nd8 O112 -","4","0.333333","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0924","0.0772","","","0.2302","0.2525","","","","","","1.116","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117662","27.1344","0.0001","27.1344","0.0001","27.1344","0.0001","90","","90","","90","","19978.4","0.13","296","2","296","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C81 H60 In3 N O31 Pr2 -","- C81 H45 In3 N0.99 O28 Pr2 -","- C324 H180 In12 N3.96 O112 Pr8 -","4","0.333333","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0597","0.0465","","","0.1193","0.1254","","","","","","0.938","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117663","21.9141","0.0009","21.9141","0.0009","21.9141","0.0009","90","","90","","90","","10523.8","0.7","296","2","296","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C30 H20 Co2 In N3 O13.5 -","- C30 H18 Co2.01 In0.99 N3 O13.5 -","- C240 H144 Co16.08 In7.92 N24 O108 -","8","0.166667","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0637","0.0571","","","0.1712","0.1829","","","","","","1.288","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117664","36.4998","0.0004","36.4998","0.0004","24.1865","0.0007","90","","90","","120","","27905.2","0.9","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H63 In2 Mn2 N3 O21 -","- C84 H38 In2 Mn2 N3 O21 -","- C756 H342 In18 Mn18 N27 O189 -","9","0.5","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.074","0.066","","","0.2029","0.2078","","","","","","1.063","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117665","36.3966","0.0005","36.3966","0.0005","23.9655","0.0006","90","","90","","120","","27494.1","0.9","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C81 H63 Co2 In2 N3 O21 -","- C81 H38 Co2 In2 N3 O21 -","- C729 H342 Co18 In18 N27 O189 -","9","0.5","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.1172","0.085","","","0.2504","0.27","","","","","","0.964","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117666","36.218","0.014","36.218","0.014","23.612","0.019","90","","90","","120","","26823","3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H54 Cu2 In2 N0 O24 -","- C72 H38 Cu2 In2 O24 -","- C648 H342 Cu18 In18 O216 -","9","0.5","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.1656","0.0921","","","0.2285","0.2574","","","","","","0.857","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117667","32.2214","0.0003","32.2214","0.0003","92.442","0.002","90","","90","","120","","83117","2","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C72 H58 In2 Mg2 N0 O26 -","- C72 H40 In2 Mg2 O26 -","- C1296 H720 In36 Mg36 O468 -","18","0.5","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0583","0.0433","","","0.122","0.1264","","","","","","0.993","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117668","13.2886","0.0013","13.9258","0.0014","18.2372","0.0017","76.405","0.005","77.74","0.005","65.596","0.004","2961.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","U(IV) Ph Ket","","- C63 H86 Li N5 O2 U -","- C63 H77 Li N5 O2 U -","- C126 H154 Li2 N10 O4 U2 -","2","1","","Lani A. Seaman; Guang Wu; Norman Edelstein; Wayne W. Lukens; Nicola Magnani; Trevor W. Hayton","Probing the 5f Orbital Contribution to the Bonding in a U(V) Ketimide Complex","Journal of the American Chemical Society","2012","134","","4931","4940","10.1021/ja211875s","","","0.71073","MoKα","","0.0511","0.0452","","","0.1081","0.1118","","","","","","1.116","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117669","13.8905","0.0004","14.6036","0.0004","25.8603","0.0007","90","","92.184","0.001","90","","5242","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","U(IV) tBu Ket","","- C49 H98 Li N5 O U -","- C49 H77 Li N5 O U -","- C196 H308 Li4 N20 O4 U4 -","4","1","","Lani A. Seaman; Guang Wu; Norman Edelstein; Wayne W. Lukens; Nicola Magnani; Trevor W. Hayton","Probing the 5f Orbital Contribution to the Bonding in a U(V) Ketimide Complex","Journal of the American Chemical Society","2012","134","","4931","4940","10.1021/ja211875s","","","0.71073","MoKα","","0.0658","0.0293","","","0.0771","0.0861","","","","","","0.979","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117670","20.967","0.003","19.715","0.003","23.47","0.003","90","","90.215","0.008","90","","9702","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","U(V) tBu Ket","","- C45 H90 N5 U -","- C45 H90 N5 U -","- C360 H720 N40 U8 -","8","2","","Lani A. Seaman; Guang Wu; Norman Edelstein; Wayne W. Lukens; Nicola Magnani; Trevor W. Hayton","Probing the 5f Orbital Contribution to the Bonding in a U(V) Ketimide Complex","Journal of the American Chemical Society","2012","134","","4931","4940","10.1021/ja211875s","","","0.71073","MoKα","","0.0784","0.041","","","0.0922","0.1057","","","","","","1.058","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117671","12.1214","0.0008","12.1214","0.0008","36.432","0.003","90","","90","","120","","4635.7","0.6","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","U(V) Ph Ket","","- C66 H84 Li N6 U -","- C66 H84 Li N6 U -","- C198 H252 Li3 N18 U3 -","3","0.166667","","Lani A. Seaman; Guang Wu; Norman Edelstein; Wayne W. Lukens; Nicola Magnani; Trevor W. Hayton","Probing the 5f Orbital Contribution to the Bonding in a U(V) Ketimide Complex","Journal of the American Chemical Society","2012","134","","4931","4940","10.1021/ja211875s","","","0.71073","MoKα","","0.0289","0.027","","","0.0524","0.0528","","","","","","1.071","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117672","14.2791","0.0016","11.9428","0.0014","19.064","0.002","90","","92.216","0.002","90","","3248.6","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","U(VI) Ph Ket","","- C73 H92 N6 U -","- C74 H94 N6 U -","- C148 H188 N12 U2 -","2","0.5","","Lani A. Seaman; Guang Wu; Norman Edelstein; Wayne W. Lukens; Nicola Magnani; Trevor W. Hayton","Probing the 5f Orbital Contribution to the Bonding in a U(V) Ketimide Complex","Journal of the American Chemical Society","2012","134","","4931","4940","10.1021/ja211875s","","","0.71073","MoKα","","0.0622","0.0272","","","0.0626","0.0739","","","","","","0.98","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117673","9.8794","0.001","18.5005","0.0018","11.0075","0.001","90","","90","","90","","2011.9","0.3","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C27 H27 B -","- C27 H27 B -","- C108 H108 B4 -","4","0.5","","Zhiguo Zhou; Atsushi Wakamiya; Tomokatsu Kushida; Shigehiro Yamaguchi","Planarized Triarylboranes: Stabilization by Structural Constraint and Their Plane-to-Bowl Conversion","Journal of the American Chemical Society","2012","134","","4529","4532","10.1021/ja211944q","","","0.71073","MoKa","","0.0808","0.048","","","0.0696","0.0738","","","","","","1.096","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117674","27.583","0.007","9.566","0.002","12.031","0.003","90","","104.38","0.004","90","","3075","1.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H34 B2 Cl2 -","- C37 H34 B2 Cl2 -","- C148 H136 B8 Cl8 -","4","0.5","","Zhiguo Zhou; Atsushi Wakamiya; Tomokatsu Kushida; Shigehiro Yamaguchi","Planarized Triarylboranes: Stabilization by Structural Constraint and Their Plane-to-Bowl Conversion","Journal of the American Chemical Society","2012","134","","4529","4532","10.1021/ja211944q","","","0.7107","MoKa","","0.0944","0.065","","","0.1667","0.1912","","","","","","1.084","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117675","12.223","0.002","9.4772","0.0016","15.291","0.003","90","","92.182","0.004","90","","1770","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 B O -","- C25 H21 B O -","- C100 H84 B4 O4 -","4","1","","Zhiguo Zhou; Atsushi Wakamiya; Tomokatsu Kushida; Shigehiro Yamaguchi","Planarized Triarylboranes: Stabilization by Structural Constraint and Their Plane-to-Bowl Conversion","Journal of the American Chemical Society","2012","134","","4529","4532","10.1021/ja211944q","","","0.71073","MoKa","","0.0741","0.0449","","","0.0801","0.0854","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117676","10.5692","0.0007","15.5985","0.0011","18.184","0.0012","90","","99.533","0.002","90","","2956.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 B F N3 S -","- C33 H45 B F N3 S -","- C132 H180 B4 F4 N12 S4 -","4","1","","Zhiguo Zhou; Atsushi Wakamiya; Tomokatsu Kushida; Shigehiro Yamaguchi","Planarized Triarylboranes: Stabilization by Structural Constraint and Their Plane-to-Bowl Conversion","Journal of the American Chemical Society","2012","134","","4529","4532","10.1021/ja211944q","","","0.71073","MoKa","","0.069","0.0433","","","0.0777","0.0823","","","","","","1.021","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117677","11.2973","0.0015","17.684","0.002","21.043","0.003","98.909","0.002","103.213","0.002","99.92","0.002","3948","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 B2 Cl2 F N3 S -","- C43 H54 B2 Cl2 F N3 S -","- C172 H216 B8 Cl8 F4 N12 S4 -","4","2","","Zhiguo Zhou; Atsushi Wakamiya; Tomokatsu Kushida; Shigehiro Yamaguchi","Planarized Triarylboranes: Stabilization by Structural Constraint and Their Plane-to-Bowl Conversion","Journal of the American Chemical Society","2012","134","","4529","4532","10.1021/ja211944q","","","0.71073","MoKa","","0.1012","0.057","","","0.1335","0.167","","","","","","1.007","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117678","10.6959","0.0009","14.8075","0.0013","15.5236","0.0013","85.815","0.002","84.448","0.002","84.235","0.002","2429.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H72 B2 Cl2 F2 N6 S2 -","- C49 H72 B2 Cl2 F2 N6 S2 -","- C98 H144 B4 Cl4 F4 N12 S4 -","2","1","","Zhiguo Zhou; Atsushi Wakamiya; Tomokatsu Kushida; Shigehiro Yamaguchi","Planarized Triarylboranes: Stabilization by Structural Constraint and Their Plane-to-Bowl Conversion","Journal of the American Chemical Society","2012","134","","4529","4532","10.1021/ja211944q","","","0.71073","MoKa","","0.1164","0.0748","","","0.1488","0.1696","","","","","","1.06","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117679","31.8437","0.0006","6.5733","0.0001","25.9326","0.0005","90","","126.952","0.001","90","","4337.86","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H60 N2 O16 S6 -","- C35 H60 N2 O16 S6 -","- C140 H240 N8 O64 S24 -","4","0.5","","Matthew K. Kiesewetter; Björn Corzilius; Albert A. Smith; Robert G. Griffin; Timothy M. Swager","Dynamic Nuclear Polarization with a Water-Soluble Rigid Biradical","Journal of the American Chemical Society","2012","134","","4537","4540","10.1021/ja212054e","","","1.54178","CuKα","","0.0696","0.0597","","","0.1587","0.1682","","","","","","1.066","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117680","13.673","0.003","14.561","0.003","24.254","0.005","90","","90","","90","","4828.8","1.8","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H34 B2 N2 O4 -","- C21 H34 B2 N2 O4 -","- C168 H272 B16 N16 O32 -","8","1","","Abel Ros; Rocío López-Rodríguez; Beatriz Estepa; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Hydrazone as the directing Group for Ir-Catalyzed Arene Diborylations and Sequential Functionalizations","Journal of the American Chemical Society","2012","134","","4573","4576","10.1021/ja300308c","","","0.71073","MoKα","","0.1055","0.0779","","","0.1682","0.2022","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117681","9.2419","0.0005","9.6877","0.0006","10.6092","0.0006","78.236","0.001","85.088","0.001","68.282","0.0009","863.86","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H25 B N2 O3 -","- C16 H25 B N2 O3 -","- C32 H50 B2 N4 O6 -","2","1","","Abel Ros; Rocío López-Rodríguez; Beatriz Estepa; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Hydrazone as the directing Group for Ir-Catalyzed Arene Diborylations and Sequential Functionalizations","Journal of the American Chemical Society","2012","134","","4573","4576","10.1021/ja300308c","","","0.71073","MoKα","","0.0616","0.0516","","","0.1384","0.1487","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117682","11.539","0.003","16.475","0.004","16.765","0.004","90","","90","","90","","3187.1","1.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H49 Cl Co N3 O -","- C33 H49 Cl Co N3 O -","- C132 H196 Cl4 Co4 N12 O4 -","4","1","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.0215","0.0202","","","0.0552","0.0557","","","","","","1.341","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117683","11.5067","0.0009","16.4629","0.0012","16.701","0.0012","90","","90","","90","","3163.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H49 Cl Co N3 O -","- C33 H49 Cl Co N3 O -","- C132 H196 Cl4 Co4 N12 O4 -","4","1","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.021","0.0195","","","0.048","0.0486","","","","","","0.939","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117684","9.9551","0.0015","23.702","0.004","11.8587","0.0018","90","","103.765","0.002","90","","2717.8","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H44 Co N3 -","- C30 H44 Co N3 -","- C120 H176 Co4 N12 -","4","2","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.0731","0.0678","","","0.1735","0.1792","","","","","","1.105","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117685","12.359","0.002","8.3869","0.0014","12.548","0.002","90","","91.336","0.003","90","","1300.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H40 Co N3 -","- C29 H40 Co N3 -","- C58 H80 Co2 N6 -","2","1","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.0438","0.0377","","","0.0936","0.1112","","","","","","1.115","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117686","12.3772","0.0004","8.3551","0.0003","12.5191","0.0004","90","","91.313","0.002","90","","1294.29","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H40 Co N3 -","- C29 H40 Co N3 -","- C58 H80 Co2 N6 -","2","1","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","1.54178","CuKα","","0.08","0.0752","","","0.2119","0.2178","","","","","","1.093","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117687","9.611","0.002","12.746","0.003","24.056","0.006","90","","95.094","0.003","90","","2935.3","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H39 Cl Co N3 -","- C27 H39 Cl Co N3 -","- C108 H156 Cl4 Co4 N12 -","4","2","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.0634","0.0438","","","0.0802","0.0852","","","","","","0.973","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117688","10.029","0.0009","19.6508","0.0018","19.1243","0.0017","90","","92.985","0.002","90","","3763.9","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C81.03 H114.1 Co3 N9 -","- C81.032 H114.096 Co3 N9 -","- C162.064 H228.192 Co6 N18 -","2","1","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.0571","0.0442","","","0.0996","0.1054","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117689","10.33","0.003","13.013","0.003","16.873","0.007","93.66","0.02","97.33","0.02","103.26","0.02","2179.4","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.5 H55 Cl4 Ge2 N3 -","- C43.5 H55 Cl4 Ge2 N3 -","- C87 H110 Cl8 Ge4 N6 -","2","1","","Amit Pratap Singh; Herbert W. Roesky; Elena Carl; Dietmar Stalke; Jean-Philippe Demers; Adam Lange","Lewis Base Mediated Autoionization of GeCl2 and SnCl2","Journal of the American Chemical Society","2012","134","","4998","5003","10.1021/ja300563g","","","0.71073","MoKα","","0.0332","0.0253","","","0.055","0.0569","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117690","10.438","0.002","13.174","0.002","16.908","0.004","92.68","0.02","99.08","0.02","103.21","0.02","2226.8","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.5 H55 Cl4 N3 Sn2 -","- C43.5 H55 Cl4 N3 Sn2 -","- C87 H110 Cl8 N6 Sn4 -","2","1","","Amit Pratap Singh; Herbert W. Roesky; Elena Carl; Dietmar Stalke; Jean-Philippe Demers; Adam Lange","Lewis Base Mediated Autoionization of GeCl2 and SnCl2","Journal of the American Chemical Society","2012","134","","4998","5003","10.1021/ja300563g","","","0.56085","AgKα","","0.0458","0.0306","","","0.064","0.0686","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117691","11.8764","0.0001","14.0585","0.0002","12.2947","0.0001","90","","104.283","0.0007","90","","1989.32","0.04","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Manabu Hoshino; Hidehiro Uekusa; Ayana Tomita; Shin-ya Koshihara; Tokushi Sato; Shunsuke Nozawa; Shin-ichi Adachi; Kei Ohkubo; Hiroaki Kotani; Shunichi Fukuzumi","Determination of the Structural Features of a Long-Lived Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion","Journal of the American Chemical Society","2012","134","","4569","4572","10.1021/ja300602h","","x-ray","0.71073","MoKα","","0.0444","0.0435","","","0.1181","0.1203","","","","","","1.151","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117692","11.874","0.0001","14.052","0.0001","12.293","0.0001","90","","104.246","0.0003","90","","1988.05","0.03","90","2","90","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Manabu Hoshino; Hidehiro Uekusa; Ayana Tomita; Shin-ya Koshihara; Tokushi Sato; Shunsuke Nozawa; Shin-ichi Adachi; Kei Ohkubo; Hiroaki Kotani; Shunichi Fukuzumi","Determination of the Structural Features of a Long-Lived Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion","Journal of the American Chemical Society","2012","134","","4569","4572","10.1021/ja300602h","","x-ray","0.6889","synchrotron","","0.0428","0.038","","","0.1138","0.1172","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117693","11.878","0.0001","14.057","0.0001","12.295","0.0001","90","","104.267","0.0003","90","","1989.57","0.03","90","2","90","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Manabu Hoshino; Hidehiro Uekusa; Ayana Tomita; Shin-ya Koshihara; Tokushi Sato; Shunsuke Nozawa; Shin-ichi Adachi; Kei Ohkubo; Hiroaki Kotani; Shunichi Fukuzumi","Determination of the Structural Features of a Long-Lived Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion","Journal of the American Chemical Society","2012","134","","4569","4572","10.1021/ja300602h","","x-ray","0.6889","synchrotron","","0.0438","0.039","","","0.1159","0.1196","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117694","12.389","0.0001","7.958","0.0001","17.516","0.0001","90","","101.222","0.0004","90","","1693.91","0.03","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl N O4 -","- C20 H16 Cl N O4 -","- C80 H64 Cl4 N4 O16 -","4","1","","Manabu Hoshino; Hidehiro Uekusa; Ayana Tomita; Shin-ya Koshihara; Tokushi Sato; Shunsuke Nozawa; Shin-ichi Adachi; Kei Ohkubo; Hiroaki Kotani; Shunichi Fukuzumi","Determination of the Structural Features of a Long-Lived Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion","Journal of the American Chemical Society","2012","134","","4569","4572","10.1021/ja300602h","","x-ray","0.6889","synchrotron","","0.0378","0.0363","","","0.1115","0.113","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117695","12.394","0.0001","7.962","0.0001","17.524","0.0001","90","","101.191","0.0005","90","","1696.41","0.03","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl N O4 -","- C20 H16 Cl N O4 -","- C80 H64 Cl4 N4 O16 -","4","1","","Manabu Hoshino; Hidehiro Uekusa; Ayana Tomita; Shin-ya Koshihara; Tokushi Sato; Shunsuke Nozawa; Shin-ichi Adachi; Kei Ohkubo; Hiroaki Kotani; Shunichi Fukuzumi","Determination of the Structural Features of a Long-Lived Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion","Journal of the American Chemical Society","2012","134","","4569","4572","10.1021/ja300602h","","x-ray","0.6889","synchrotron","","0.0398","0.0381","","","0.116","0.118","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117696","11.874","0.0001","14.0576","0.0002","12.2949","0.0001","90","","104.285","0.0007","90","","1988.81","0.04","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Manabu Hoshino; Hidehiro Uekusa; Ayana Tomita; Shin-ya Koshihara; Tokushi Sato; Shunsuke Nozawa; Shin-ichi Adachi; Kei Ohkubo; Hiroaki Kotani; Shunichi Fukuzumi","Determination of the Structural Features of a Long-Lived Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion","Journal of the American Chemical Society","2012","134","","4569","4572","10.1021/ja300602h","","x-ray","0.71073","MoKα","","0.0441","0.0432","","","0.1176","0.1194","","","","","","1.153","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117697","23.58","0.001","18.0061","0.0007","24.9071","0.001","90","","102.965","0.002","90","","10305.6","0.7","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C102 H99 F12 Fe2 N27 O12 S4 -","- C90 H72 Fe2 N18 -","- C360 H288 Fe8 N72 -","4","1","","Rana A. Bilbeisi; Jack K. Clegg; Noémie Elgrishi; Xavier de Hatten; Marc Devillard; Boris Breiner; Prasenjit Mal; Jonathan R. Nitschke","Subcomponent Self-Assembly and Guest-Binding Properties of Face-Capped Fe4L48+ Capsules","Journal of the American Chemical Society","2012","134","","5110","5119","10.1021/ja2092272","","","0.71073","MoKα","","0.2304","0.1318","","","0.3254","0.3715","","","","","","0.939","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4117698","19.6303","0.0012","32.402","0.002","30.421","0.0017","90","","95.494","0.002","90","","19261","2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C206 H189 F24 Fe4 N55 O24 S8 -","- C144 H108 Fe4 N28 -","- C576 H432 Fe16 N112 -","4","1","","Rana A. Bilbeisi; Jack K. Clegg; Noémie Elgrishi; Xavier de Hatten; Marc Devillard; Boris Breiner; Prasenjit Mal; Jonathan R. Nitschke","Subcomponent Self-Assembly and Guest-Binding Properties of Face-Capped Fe4L48+ Capsules","Journal of the American Chemical Society","2012","134","","5110","5119","10.1021/ja2092272","","","0.71073","MoKα","","0.1965","0.119","","","0.293","0.3281","","","","","","0.899","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4117699","34.078","0.007","31.506","0.006","20.33","0.004","90","","104.03","0.03","90","","21176","8","180","2","180","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C178 H177 F48 Fe4 N29 O9 P8 -","- C148 H112 F30 Fe4 N24 O4 P5 -","- C592 H448 F120 Fe16 N96 O16 P20 -","4","1","","Rana A. Bilbeisi; Jack K. Clegg; Noémie Elgrishi; Xavier de Hatten; Marc Devillard; Boris Breiner; Prasenjit Mal; Jonathan R. Nitschke","Subcomponent Self-Assembly and Guest-Binding Properties of Face-Capped Fe4L48+ Capsules","Journal of the American Chemical Society","2012","134","","5110","5119","10.1021/ja2092272","","","0.71073","MoKα","","0.1211","0.1078","","","0.2635","0.2733","","","","","","1.402","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4117700","8.0466","0.0016","12.206","0.002","20.981","0.004","90.99","0.03","90.14","0.03","90.43","0.03","2060.3","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Cl20 La14 Ru5 -","- Cl20 La14 Ru5 -","- Cl40 La28 Ru10 -","2","1","","Chong Zheng; Jürgen Köhler; Hansjürgen Mattausch; Constantin Hoch; Arndt Simon","A Five-Membered Ru5 Ring in a Hexagonal La14 Cage: The La14Cl20Ru5 Structure","Journal of the American Chemical Society","2012","134","","5026","5028","10.1021/ja210846d","","","0.56086","AgKα","","0.1156","0.0771","","","0.1792","0.1995","","","","","","1.081","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117701","14.9441","0.001","22.035","0.0015","22.0108","0.0014","90","","90","","90","","7248","0.8","100","2","100","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C68 H44 F12 Mo2 N13 O14 S4 -","- C68 H44 F12 Mo2 N13 O14 S4 -","- C272 H176 F48 Mo8 N52 O56 S16 -","4","0.5","","Eric J. Sundstrom; Xinzheng Yang; V. Sara Thoi; Hemamala I. Karunadasa; Christopher J. Chang; Jeffrey R. Long; Martin Head-Gordon","Computational and Experimental Study of the Mechanism of Hydrogen Generation from Water by a Molecular Molybdenum-Oxo Electrocatalyst","Journal of the American Chemical Society","2012","134","","5233","5242","10.1021/ja210949r","","","1.54178","CuKα","","0.0306","0.0299","","","0.082","0.0825","","","","","","1.273","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117702","12.4356","0.0006","15.7501","0.0008","20.2185","0.001","90","","90.681","0.002","90","","3959.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C73 H50 F12 Mo2 N16 O12 S4 -","- C73 H50 F12 Mo2 N16 O12 S4 -","- C146 H100 F24 Mo4 N32 O24 S8 -","2","0.5","","Eric J. Sundstrom; Xinzheng Yang; V. Sara Thoi; Hemamala I. Karunadasa; Christopher J. Chang; Jeffrey R. Long; Martin Head-Gordon","Computational and Experimental Study of the Mechanism of Hydrogen Generation from Water by a Molecular Molybdenum-Oxo Electrocatalyst","Journal of the American Chemical Society","2012","134","","5233","5242","10.1021/ja210949r","","","1.54178","CuKα","","0.0816","0.0794","","","0.3049","0.3253","","","","","","2.139","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117703","6.2746","0.0007","11.2697","0.0013","21.763","0.003","90","","90","","90","","1538.9","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C68 H100 N4 O8 -","4","1","","Nadeem S. Sheikh; Daniele Leonori; Graeme Barker; James D. Firth; Kevin R. Campos; Anthony J. H. M. Meijer; Peter O'Brien; Iain Coldham","An Experimental and in Situ IR Spectroscopic Study of the Lithiation-Substitution of N-Boc-2-phenylpyrrolidine and -piperidine: Controlling the Formation of Quaternary Stereocenters","Journal of the American Chemical Society","2012","134","","5300","5308","10.1021/ja211398b","","","0.71073","MoKα","","0.1125","0.0643","","","0.1309","0.1828","","","","","","1.259","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117704","9.577","0.0005","9.8305","0.0005","19.7127","0.001","87.226","0.003","89.257","0.003","68.802","0.003","1728.26","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","PhDPBPhNiBr","","","- C42 H33 B Br Ni P2 -","- C42 H33 B Br Ni P2 -","- C84 H66 B2 Br2 Ni2 P4 -","2","1","","W. Hill Harman; Jonas C. Peters","Reversible H2 Addition across a Nickel-Borane Unit as a Promising Strategy for Catalysis","Journal of the American Chemical Society","2012","134","","5080","5082","10.1021/ja211419t","","","0.71073","MoKα","","0.0517","0.038","","","0.0945","0.099","","","","","","1.124","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117705","23.7152","0.0011","11.0648","0.0005","18.3257","0.0008","90","","129.973","0.002","90","","3685.2","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","PhDPBPhNiTHF","","","- C46 H41 B Ni O P2 -","- C46 H41 B Ni O P2 -","- C184 H164 B4 Ni4 O4 P8 -","4","1","","W. Hill Harman; Jonas C. Peters","Reversible H2 Addition across a Nickel-Borane Unit as a Promising Strategy for Catalysis","Journal of the American Chemical Society","2012","134","","5080","5082","10.1021/ja211419t","","","0.71073","MoKα","","0.0548","0.0408","","","0.0895","0.0958","","","","","","1.034","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117706","12.4313","0.001","14.519","0.001","20.8242","0.0014","90","","102.722","0.002","90","","3666.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","MesDPBPhNiBr","","","- C45 H39 B Br Ni P2 -","- C45 H39 B Br Ni P2 -","- C180 H156 B4 Br4 Ni4 P8 -","4","1","","W. Hill Harman; Jonas C. Peters","Reversible H2 Addition across a Nickel-Borane Unit as a Promising Strategy for Catalysis","Journal of the American Chemical Society","2012","134","","5080","5082","10.1021/ja211419t","","","0.71073","MoKα","","0.0616","0.035","","","0.0809","0.09","","","","","","1.015","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117707","9.9796","0.0005","13.1425","0.0007","14.6968","0.0007","73.94","0.003","87.331","0.003","69.709","0.003","1734.8","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","MesDPBPhNi","","","- C45 H39 B Ni P2 -","- C45 H39 B Ni P2 -","- C90 H78 B2 Ni2 P4 -","2","1","","W. Hill Harman; Jonas C. Peters","Reversible H2 Addition across a Nickel-Borane Unit as a Promising Strategy for Catalysis","Journal of the American Chemical Society","2012","134","","5080","5082","10.1021/ja211419t","","","0.71073","MoKα","","0.0454","0.0304","","","0.0829","0.0867","","","","","","0.982","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117708","23.19","0.005","38.864","0.008","18.569","0.004","90","","122.8","0.03","90","","14067","7","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C72 H99 F6 N3 O4 Sb U -","- C72 H99 F6 N3 O4 Sb U -","- C576 H792 F48 N24 O32 Sb8 U8 -","8","2","","Boris Kosog; Henry S. La Pierre; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer","Synthesis of Uranium(VI) Terminal Oxo Complexes: Molecular Geometry Driven by the Inverse Trans-Influence","Journal of the American Chemical Society","2012","134","","5284","5289","10.1021/ja211618v","","","0.71073","MoKα","","0.069","0.0422","","","0.0889","0.0984","","","","","","1.083","","","","has coordinates,has disorder","194045","2020-10-21","18:00:00",""
"4117709","16.5625","0.0002","15.0709","0.0002","23.2583","0.0004","90","","96.952","0.001","90","","5762.86","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H88 F3 N3 O8 U -","- C57 H88 F3 N3 O8 U -","- C228 H352 F12 N12 O32 U4 -","4","1","","Boris Kosog; Henry S. La Pierre; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer","Synthesis of Uranium(VI) Terminal Oxo Complexes: Molecular Geometry Driven by the Inverse Trans-Influence","Journal of the American Chemical Society","2012","134","","5284","5289","10.1021/ja211618v","","","0.71073","MoKα","","0.0335","0.023","","","0.0476","0.0509","","","","","","1.008","","","","has coordinates","194045","2020-10-21","18:00:00",""
"4117710","23.159","0.003","38.802","0.005","18.622","0.002","90","","123.063","0.002","90","","14024","3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C144 H198 F12 N6 O8 Sb2 U2 -","- C144 H198 F12 N6 O8 Sb2 U2 -","- C576 H792 F48 N24 O32 Sb8 U8 -","4","1","","Boris Kosog; Henry S. La Pierre; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer","Synthesis of Uranium(VI) Terminal Oxo Complexes: Molecular Geometry Driven by the Inverse Trans-Influence","Journal of the American Chemical Society","2012","134","","5284","5289","10.1021/ja211618v","","","0.71073","MoKα","","0.0954","0.0492","","","0.1006","0.1171","","","","","","1.05","","","","has coordinates,has disorder","194045","2020-10-21","18:00:00",""
"4117711","16.709","0.002","24.792","0.002","21.212","0.003","90","","124.05","0.01","90","","7280.5","1.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C83 H112 F N3 O3 U -","- C83 H112 F N3 O3 U -","- C332 H448 F4 N12 O12 U4 -","4","1","","Boris Kosog; Henry S. La Pierre; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer","Synthesis of Uranium(VI) Terminal Oxo Complexes: Molecular Geometry Driven by the Inverse Trans-Influence","Journal of the American Chemical Society","2012","134","","5284","5289","10.1021/ja211618v","","","0.71073","MoKα","","0.0672","0.0382","","","0.0759","0.0831","","","","","","1.197","","","","has coordinates,has disorder","194045","2020-10-21","18:00:00",""
"4117712","39.095","0.0013","19.6845","0.0007","24.6987","0.0008","90","","127.878","0.001","90","","15002.8","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H118 F3 N3 O5 U -","- C84 H118 F3 N3 O5 U -","- C672 H944 F24 N24 O40 U8 -","8","1","","Boris Kosog; Henry S. La Pierre; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer","Synthesis of Uranium(VI) Terminal Oxo Complexes: Molecular Geometry Driven by the Inverse Trans-Influence","Journal of the American Chemical Society","2012","134","","5284","5289","10.1021/ja211618v","","","0.71073","MoKα","","0.067","0.0404","","","0.0948","0.104","","","","","","1.161","","","","has coordinates,has disorder","194045","2020-10-21","18:00:00",""
"4117713","25.3572","0.001","14.9526","0.0006","20.5748","0.0008","90","","97.439","0.003","90","","7735.4","0.5","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@C2(13)-C84.NiOEP.2toluene","","","- C134 H60 N4 Ni Sm -","- C134.074 H60 N4 Ni Sm1.02 -","- C536.295 H240 N16 Ni4 Sm4.08 -","4","0.5","","Hua Yang; Meilan Yu; Hongxiao Jin; Ziyang Liu; Mingguang Yao; Bingbing Liu; Marilyn M. Olmstead; Alan L. Balch","Isolation of Three Isomers of Sm@C84 and X-ray Crystallographic Characterization of Sm@D3d(19)-C84 and Sm@C2(13)-C84","Journal of the American Chemical Society","2012","134","","5331","5338","10.1021/ja211785u","","","0.71073","MoKα","","0.0808","0.0662","","","0.1663","0.1787","","","","","","1.022","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117714","25.3389","0.0015","14.8092","0.0009","20.926","0.0013","90","","97.589","0.0008","90","","7783.7","0.8","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@D3d(19)-C84.NiOEP.2toluene","","","- C134 H60 N4 Ni Sm -","- C132.2 H57.5 N4 Ni Sm -","- C528.8 H230 N16 Ni4 Sm4 -","4","0.5","","Hua Yang; Meilan Yu; Hongxiao Jin; Ziyang Liu; Mingguang Yao; Bingbing Liu; Marilyn M. Olmstead; Alan L. Balch","Isolation of Three Isomers of Sm@C84 and X-ray Crystallographic Characterization of Sm@D3d(19)-C84 and Sm@C2(13)-C84","Journal of the American Chemical Society","2012","134","","5331","5338","10.1021/ja211785u","","","0.71073","MoKα","","0.0849","0.0746","","","0.1526","0.1566","","","","","","1.237","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117715","9.627","0.003","11.363","0.004","16.729","0.006","91.016","0.016","93.314","0.014","95.991","0.013","1816.5","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C92 H68 N12 O4 -","4","2","","André P. Dieskau; Michael S. Holzwarth; Bernd Plietker","Fe-Catalyzed Allylic C-C-Bond Activation: Vinylcyclopropanes As Versatile a1,a3,d5-Synthons in Traceless Allylic Substitutions and [3 + 2]-Cycloadditions","Journal of the American Chemical Society","2012","134","","5048","5051","10.1021/ja300294a","","","0.71073","MoKα","","0.1294","0.0543","","","0.063","0.0711","","","","","","1.008","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117716","7.2726","0.0008","10.6519","0.0011","13.3896","0.0014","107.615","0.004","105.684","0.005","93.567","0.005","940.01","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N3 O2 S -","- C21 H19 N3 O2 S -","- C42 H38 N6 O4 S2 -","2","1","","André P. Dieskau; Michael S. Holzwarth; Bernd Plietker","Fe-Catalyzed Allylic C-C-Bond Activation: Vinylcyclopropanes As Versatile a1,a3,d5-Synthons in Traceless Allylic Substitutions and [3 + 2]-Cycloadditions","Journal of the American Chemical Society","2012","134","","5048","5051","10.1021/ja300294a","","","0.71073","MoKα","","0.0539","0.0335","","","0.0778","0.0845","","","","","","1.035","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117717","27.215","0.003","9.5265","0.0009","15.1182","0.0013","90","","106.753","0.003","90","","3753.2","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 N3 O2 S -","- C22 H17 N3 O2 S -","- C176 H136 N24 O16 S8 -","8","1","","André P. Dieskau; Michael S. Holzwarth; Bernd Plietker","Fe-Catalyzed Allylic C-C-Bond Activation: Vinylcyclopropanes As Versatile a1,a3,d5-Synthons in Traceless Allylic Substitutions and [3 + 2]-Cycloadditions","Journal of the American Chemical Society","2012","134","","5048","5051","10.1021/ja300294a","","","0.71073","MoKα","","0.0588","0.0366","","","0.0822","0.0883","","","","","","1.031","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117718","12.679","0.003","15.506","0.003","16.46","0.006","90","","123.4","0.02","90","","2701.6","1.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 N3 -","- C31 H41 N3 -","- C124 H164 N12 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.0959","0.0681","","","0.1789","0.2084","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117719","8.654","0.0005","26.8867","0.0014","12.64","0.0006","90","","115.843","0.003","90","","2646.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Cl N3 P -","- C28 H33 Cl N3 P -","- C112 H132 Cl4 N12 P4 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.0758","0.0422","","","0.0905","0.1035","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117720","15.829","0.003","11.199","0.002","24.175","0.008","90","","125.42","0.02","90","","3492.3","1.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H51 Cl N3 P -","- C37 H51 Cl N3 P -","- C148 H204 Cl4 N12 P4 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.0932","0.055","","","0.1306","0.1687","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117721","20.468","0.002","9.2821","0.001","15.5195","0.0018","90","","92.061","0.004","90","","2946.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 Cl N3 P -","- C31 H39 Cl N3 P -","- C124 H156 Cl4 N12 P4 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.1444","0.0894","","","0.2128","0.2347","","","","","","1.126","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117722","10.744","0.002","15.331","0.003","22.699","0.006","90","","118.03","0.02","90","","3300.3","1.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 Cl N3 P -","- C34 H45 Cl N3 P -","- C136 H180 Cl4 N12 P4 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.0569","0.0371","","","0.0962","0.1026","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117723","8.6103","0.0017","14.299","0.003","21.572","0.004","90","","91.13","0.03","90","","2655.4","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Br N3 P -","- C28 H33 Br N3 P -","- C112 H132 Br4 N12 P4 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.0783","0.0533","","","0.1424","0.1645","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117724","14.544","0.003","13.657","0.003","17.327","0.007","90","","119.39","0.02","90","","2998.7","1.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Al Cl4 N3 P -","- C28 H33 Al Cl4 N3 P -","- C112 H132 Al4 Cl16 N12 P4 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.0957","0.0557","","","0.1535","0.1887","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117725","15.278","0.003","21.301","0.004","21.126","0.007","90","","133.195","0.017","90","","5012","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H66 N6 P2 -","- C56 H66 N6 P2 -","- C224 H264 N24 P8 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.1388","0.0788","","","0.1766","0.23","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117726","7.5319","0.0015","15.796","0.003","8.8077","0.0018","90","","109.64","0.03","90","","986.9","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl2 N2 P2 -","- C18 H22 Cl2 N2 P2 -","- C36 H44 Cl4 N4 P4 -","2","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.1302","0.0642","","","0.1078","0.1312","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117727","11.562","0.002","13.418","0.003","14.712","0.003","65.35","0.03","78.17","0.03","88.2","0.03","2026.6","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H94 Cl6 N10 P4 -","- C79 H94 Cl6 N10 P4 -","- C79 H94 Cl6 N10 P4 -","1","0.5","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.1237","0.0606","","","0.1461","0.1846","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117728","9.8884","0.0002","12.4534","0.0003","14.2131","0.0003","91.4581","0.0015","102.372","0.0015","112.572","0.0014","1567.36","0.06","93.1","","93","2","","","","","","","","6","P 1","P 1","1","","","","- C19 H14 F N O2 S -","- C19 H14 F N O2 S -","- C76 H56 F4 N4 O8 S4 -","4","4","","Takahiro Nishimura; Akira Noishiki; Gavin Chit Tsui; Tamio Hayashi","Asymmetric Synthesis of (Triaryl)methylamines by Rhodium-Catalyzed Addition of Arylboroxines to Cyclic N-Sulfonyl Ketimines","Journal of the American Chemical Society","2012","134","","5056","5059","10.1021/ja300697c","","","1.54187","CuKα","","","0.0464","","","","0.1447","","","","","","1.144","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117729","11.677","0.003","22.21","0.005","16.123","0.004","90","","100.869","0.003","90","","4106.4","1.7","140","1","140","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H70 Fe N2 O P2 -","- C44 H59 Fe N2 O P2 -","- C176 H236 Fe4 N8 O4 P8 -","4","1","","R. Tom Baker; John C. Gordon; Charles W. Hamilton; Neil J. Henson; Po-Heng Lin; Steven Maguire; Muralee Murugesu; Brian L. Scott; Nathan C. Smythe","Iron Complex-Catalyzed Ammonia-Borane Dehydrogenation. A Potential Route toward B-N-Containing Polymer Motifs Using Earth-Abundant Metal Catalysts","Journal of the American Chemical Society","2012","134","","5598","5609","10.1021/ja210542r","","","0.71073","MoKα","","0.1686","0.0778","","","0.1806","0.2198","","","","","","1.089","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117730","11.443","0.013","20.06","0.02","16.304","0.019","90","","99.697","0.019","90","","3689","7","140","1","140","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H62 Fe N2 P2 -","- C40 H62 Fe N2 P2 -","- C160 H248 Fe4 N8 P8 -","4","1","","R. Tom Baker; John C. Gordon; Charles W. Hamilton; Neil J. Henson; Po-Heng Lin; Steven Maguire; Muralee Murugesu; Brian L. Scott; Nathan C. Smythe","Iron Complex-Catalyzed Ammonia-Borane Dehydrogenation. A Potential Route toward B-N-Containing Polymer Motifs Using Earth-Abundant Metal Catalysts","Journal of the American Chemical Society","2012","134","","5598","5609","10.1021/ja210542r","","","0.71073","MoKα","","0.2205","0.0734","","","0.1284","0.1841","","","","","","0.941","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117731","17.914","0.006","7.661","0.003","6.6577","0.0019","90","","98.885","0.007","90","","902.7","0.5","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 O2 -","- C26 H16 O2 -","- C52 H32 O4 -","2","0.5","","Chikahiko Mitsui; Junshi Soeda; Kazumoto Miwa; Hayato Tsuji; Jun Takeya; Eiichi Nakamura","Naphtho[2,1-b:6,5-b']difuran: A Versatile Motif Available for Solution-Processed Single-Crystal Organic Field-Effect Transistors with High Hole Mobility","Journal of the American Chemical Society","2012","134","","5448","5451","10.1021/ja2120635","","","0.71075","MoKα","","","0.0811","","","","0.2775","","","","","","0.923","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117732","13.2305","0.0017","5.5995","0.0006","23.802","0.003","90","","97.887","0.007","90","","1746.7","0.4","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C42 H48 O2 -","- C42 H48 O2 -","- C84 H96 O4 -","2","0.5","","Chikahiko Mitsui; Junshi Soeda; Kazumoto Miwa; Hayato Tsuji; Jun Takeya; Eiichi Nakamura","Naphtho[2,1-b:6,5-b']difuran: A Versatile Motif Available for Solution-Processed Single-Crystal Organic Field-Effect Transistors with High Hole Mobility","Journal of the American Chemical Society","2012","134","","5448","5451","10.1021/ja2120635","","","0.99622","","","0.2014","0.0536","","","0.1291","0.1458","","","","","","0.522","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117733","10.0304","0.0002","32.0673","0.0006","17.1467","0.0003","90","","97.68","0.002","90","","5465.73","0.18","100.9","","374.05","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H61 B Cl Fe N8 O -","- C62 H61 B Cl Fe N8 O -","- C248 H244 B4 Cl4 Fe4 N32 O4 -","4","1","","Michael M. Bittner; Sergey V. Lindeman; Adam T. Fiedler","A Synthetic Model of the Putative Fe(II)-Iminobenzosemiquinonate Intermediate in the Catalytic Cycle of o-Aminophenol Dioxygenases","Journal of the American Chemical Society","2012","134","","5460","5463","10.1021/ja212163t","","","0.7107","MoKα","","0.0519","0.0413","","","0.0989","0.1068","","","","","","1.035","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117734","14.9365","0.0006","9.9321","0.0005","37.6317","0.0014","90","","92.617","0.004","90","","5576.9","0.4","100.6","","100.6","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60.77 H56.15 B Cl2.39 Fe N7 O -","- C60.7718 H56.1496 B Cl2.3866 Fe N7 O -","- C243.087 H224.598 B4 Cl9.5464 Fe4 N28 O4 -","4","1","","Michael M. Bittner; Sergey V. Lindeman; Adam T. Fiedler","A Synthetic Model of the Putative Fe(II)-Iminobenzosemiquinonate Intermediate in the Catalytic Cycle of o-Aminophenol Dioxygenases","Journal of the American Chemical Society","2012","134","","5460","5463","10.1021/ja212163t","","","1.5418","CuKα","","0.0643","0.0512","","","0.1279","0.1382","","","","","","1.029","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117735","39.237","0.0012","13.8346","0.0004","20.7143","0.0005","90","","97.218","0.003","90","","11155.2","0.5","101.1","","101.1","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C60 H57 B Cl F6 Fe N7 O Sb -","- C60 H57 B Cl F6 Fe N7 O Sb -","- C480 H456 B8 Cl8 F48 Fe8 N56 O8 Sb8 -","8","2","","Michael M. Bittner; Sergey V. Lindeman; Adam T. Fiedler","A Synthetic Model of the Putative Fe(II)-Iminobenzosemiquinonate Intermediate in the Catalytic Cycle of o-Aminophenol Dioxygenases","Journal of the American Chemical Society","2012","134","","5460","5463","10.1021/ja212163t","","","1.5418","CuKα","","0.1115","0.0831","","","0.2089","0.2331","","","","","","1.026","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117736","9.3928","0.0013","9.3928","0.0013","51.008","0.0013","90","","90","","120","","3897.3","0.8","100.1","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C20 H30 Cr Mn N O14 -","- C19.99 Cr Mn N O14.01 -","- C119.94 Cr6 Mn6 N6 O84.06 -","6","0.333333","","Masaaki Sadakiyo; Hisashi Ōkawa; Akihito Shigematsu; Masaaki Ohba; Teppei Yamada; Hiroshi Kitagawa","Promotion of Low-Humidity Proton Conduction by Controlling Hydrophilicity in Layered Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","5472","5475","10.1021/ja300122r","","","0.71073","MoKα","","","0.0519","","","","0.1344","","","","","","1.134","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117737","19.1875","0.001","9.6032","0.0005","17.5086","0.0009","90","","93.098","0.003","90","","3221.4","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34.96 H48 Cl0.04 Ni O0.96 P2 -","- C34.964 H48 Cl0.036 Ni O0.964 P2 -","- C139.856 H192 Cl0.144 Ni4 O3.856 P8 -","4","1","","Paul Kelley; Sibo Lin; Guy Edouard; Michael W. Day; Theodor Agapie","Nickel-Mediated Hydrogenolysis of C-O Bonds of Aryl Ethers: What Is the Source of the Hydrogen?","Journal of the American Chemical Society","2012","134","","5480","5483","10.1021/ja300326t","","","0.71073","MoKα","","0.0334","0.0259","","","0.0427","0.0429","","","","","","1.711","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117738","10.6162","0.0004","19.6007","0.0008","15.6192","0.0006","90","","103.887","0.002","90","","3155.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H47 N Ni O P2 -","- C33 H47 N Ni O P2 -","- C132 H188 N4 Ni4 O4 P8 -","4","1","","Paul Kelley; Sibo Lin; Guy Edouard; Michael W. Day; Theodor Agapie","Nickel-Mediated Hydrogenolysis of C-O Bonds of Aryl Ethers: What Is the Source of the Hydrogen?","Journal of the American Chemical Society","2012","134","","5480","5483","10.1021/ja300326t","","","0.71073","MoKα","","0.0934","0.0489","","","0.0501","0.0514","","","","","","1.604","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117739","9.0551","0.0006","17.5696","0.0012","11.5133","0.0008","90","","102.374","0.003","90","","1789.2","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H54 I N Ni O P2 -","- C36 H54 I N Ni O P2 -","- C72 H108 I2 N2 Ni2 O2 P4 -","2","1","","Paul Kelley; Sibo Lin; Guy Edouard; Michael W. Day; Theodor Agapie","Nickel-Mediated Hydrogenolysis of C-O Bonds of Aryl Ethers: What Is the Source of the Hydrogen?","Journal of the American Chemical Society","2012","134","","5480","5483","10.1021/ja300326t","","","0.71073","MoKα","","0.0312","0.0266","","","0.0483","0.0488","","","","","","1.924","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117740","11.4755","0.0011","4.6745","0.0005","12.6976","0.0013","90","","100.463","0.002","90","","669.8","0.12","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 B N3 -","- C4 H10 B N3 -","- C16 H40 B4 N12 -","4","1","","Xiangcheng Pan; Emmanuel Lacôte; Jacques Lalevée; Dennis P. Curran","Polarity Reversal Catalysis in Radical Reductions of Halides by N-Heterocyclic Carbene Boranes","Journal of the American Chemical Society","2012","134","","5669","5674","10.1021/ja300416f","","","0.71073","MoKα","","0.1035","0.0571","","","0.1412","0.1626","","","","","","1.037","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117741","12.4388","0.0012","15.4493","0.0015","15.9632","0.0015","94.969","0.002","107.717","0.002","113.463","0.002","2603.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H154 Al2 N4 O6 -","- C118 H154 Al2 N4 O6 -","- C118 H154 Al2 N4 O6 -","1","0.5","","Guang-Peng Wu; Wei-Min Ren; Yi Luo; Bo Li; Wen-Zhen Zhang; Xiao-Bing Lu","Enhanced Asymmetric Induction for the Copolymerization of CO2 and Cyclohexene Oxide with Unsymmetric Enantiopure SalenCo(III) Complexes: Synthesis of Crystalline CO2-Based Polycarbonate","Journal of the American Chemical Society","2012","134","","5682","5688","10.1021/ja300667y","","","0.71073","MoKα","","0.1448","0.0859","","","0.2226","0.2687","","","","","","1.033","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117742","8.8983","0.0008","11.7819","0.001","13.7805","0.0012","73.889","0.002","79.976","0.002","79.465","0.002","1352.9","0.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H44 F6 Fe N4 O2 Sb -","- C66 H44 F6 Fe N4 O2 Sb -","- C66 H44 F6 Fe N4 O2 Sb -","1","0.5","","Kyohei Fujiwara; Takuya Kurahashi; Seijiro Matsubara","Cationic Iron(III) Porphyrin-Catalyzed [4 + 2] Cycloaddition of Unactivated Aldehydes with Simple Dienes","Journal of the American Chemical Society","2012","134","","5512","5515","10.1021/ja300790x","","","0.71073","MoKα","","0.0508","0.0419","","","0.1107","0.1176","","","","","","1.02","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117743","7.9538","0.0008","7.3938","0.0008","14.4424","0.0014","90","","91.551","0.002","90","","849.03","0.15","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H20 O -","- C22 H20 O -","- C44 H40 O2 -","2","1","","Kyohei Fujiwara; Takuya Kurahashi; Seijiro Matsubara","Cationic Iron(III) Porphyrin-Catalyzed [4 + 2] Cycloaddition of Unactivated Aldehydes with Simple Dienes","Journal of the American Chemical Society","2012","134","","5512","5515","10.1021/ja300790x","","","0.71073","MoKα","","0.0482","0.0411","","","0.1127","0.1184","","","","","","1.016","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117744","15.7355","0.0007","16.2056","0.0008","30.5406","0.0014","90","","90","","90","","7788","0.6","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,1,1,3,3,3-hexa-tert-butyltrisilane-2,2-diyl 1',3',4',5'-tetramethyl-2',3'-dihydro-1'H-imidazole-2',2'-diyl complex","","- C35 H74 N2 O Si3 -","- C35 H74 N2 O Si3 -","- C280 H592 N16 O8 Si24 -","8","2","","Hiroaki Tanaka; Masaaki Ichinohe; Akira Sekiguchi","An Isolable NHC-Stabilized Silylene Radical Cation: Synthesis and Structural Characterization","Journal of the American Chemical Society","2012","134","","5540","5543","10.1021/ja301180v","","","0.71073","MoKα","","0.082","0.0661","","","0.2032","0.2133","","","","","","1.027","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117745","15.26","0.002","16.593","0.002","20.617","0.003","98.25","0.001","96.718","0.002","90.447","0.002","5129.3","1.2","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","(1,1,1,3,3,3-hexa-tert-butyltrisilane-2-yl-2-ylium 1,3,4,5-tetramthylimidazole-2,2-diyl)- tetrakis[4-(tert-butyldimethylsilyl)-2,3,5,6-tetrafluorophenyl]borate","","- C94 H138.5 B F18.5 N2 Si7 -","- C94 H138.5 B F18.5 N2 Si7 -","- C188 H277 B2 F37 N4 Si14 -","2","1","","Hiroaki Tanaka; Masaaki Ichinohe; Akira Sekiguchi","An Isolable NHC-Stabilized Silylene Radical Cation: Synthesis and Structural Characterization","Journal of the American Chemical Society","2012","134","","5540","5543","10.1021/ja301180v","","","0.71073","MoKα","","0.093","0.0798","","","0.2283","0.245","","","","","","1.021","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117746","15.865","0.001","15.865","0.001","11.7214","0.0008","90","","90","","120","","2555","0.3","150","2","150","2","","","","","","","","5","P 32","P 32","145","","","","- C36 H58 Cl N3 O2 -","- C36 H56 Cl N3 O2 -","- C108 H168 Cl3 N9 O6 -","3","1","","Jeffrey S. Bandar; Tristan H. Lambert","Enantioselective Brønsted Base Catalysis with Chiral Cyclopropenimines","Journal of the American Chemical Society","2012","134","","5552","5555","10.1021/ja3015764","","","0.71073","MoKα","","0.0598","0.0448","","","0.1095","0.1195","","","","","","1.015","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117747","10.308","0.008","6.921","0.004","13.374","0.01","90","","105.34","0.04","90","","920.1","1.1","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","0.71073","MoKα","","0.0726","0.0449","","","0.1046","0.1148","","","","","","1.037","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117748","12.034","0.002","15.092","0.002","15.799","0.004","90","","90","","90","","2869.4","0.9","293","2","293","2","","","","","","","","4","P c 21 n","P -2n -2ac","33","","","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C128 H136 Br8 O24 -","8","2","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","1.54176","CuKα","","0.0968","0.0691","","","0.178","0.2029","","","","","","1.031","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117749","7.155","0.003","20.687","0.005","8.002","0.002","90","","96.52","0.03","90","","1176.8","0.6","198","2","198","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","0.71073","MoKα","","0.1362","0.0593","","","0.1188","0.1378","","","","","","0.965","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117750","6.6278","0.0017","8.754","0.002","16.144","0.006","90","","91.31","0.03","90","","936.4","0.5","198","2","198","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N O4 -","- C9 H13 N O4 -","- C36 H52 N4 O16 -","4","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","0.71073","MoKα","","0.1176","0.053","","","0.0907","0.1027","","","","","","0.96","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117751","8.499","0.004","8.644","0.004","11.641","0.005","106.65","0.04","91.72","0.04","118.25","0.04","707.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 O4 S -","- C15 H18 O4 S -","- C30 H36 O8 S2 -","2","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","0.71073","MoKα","","0.0647","0.0415","","","0.0873","0.0944","","","","","","1.041","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117752","8.049","0.004","13.968","0.007","13.793","0.006","90","","96.24","0.04","90","","1541.5","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O4 S -","- C16 H20 O4 S -","- C64 H80 O16 S4 -","4","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","1.54176","CuKα","","0.0611","0.0574","","","0.1526","0.156","","","","","","1.065","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117753","5.558","0.002","19.39","0.011","10.753","0.005","90","","101.62","0.04","90","","1135.1","0.9","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","0.71073","MoKα","","0.2553","0.0828","","","0.1483","0.1881","","","","","","0.892","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117754","6.885","0.004","9.275","0.005","9.509","0.004","87.23","0.04","69.53","0.04","74.48","0.04","547.5","0.5","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C24 H32 O8 -","2","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","0.71073","MoKα","","0.0931","0.0601","","","0.1529","0.1675","","","","","","1.055","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117755","6.1743","0.0018","12.3846","0.0017","13.243","0.004","86.96","0.018","80.68","0.02","80.571","0.017","985.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 Br O4 -","- C20 H25 Br O4 -","- C40 H50 Br2 O8 -","2","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","1.54176","CuKα","","0.2242","0.0841","","","0.1986","0.2482","","","","","","0.872","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117756","8","2","12.648","","19.339","","80.57","","80.56","","89.89","","1904","5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N O -","- C26 H25 N O -","- C104 H100 N4 O4 -","4","2","","Gandeepan, Parthasarathy; Cheng, Chien-Hong","Allylic Carbon-Carbon Double Bond Directed Pd-Catalyzed Oxidative ortho-Olefination of Arenes","Journal of the American Chemical Society","2012","134","13","5738","5741","10.1021/ja300168m","","","0.71073","MoKα","","0.1256","0.1092","","","0.2897","0.3079","","","","","","1.09","","","","has coordinates","219255","2020-10-21","18:00:00",""
"4117757","30.159","0.003","30.159","0.003","30.159","0.003","90","","90","","90","","27432","5","298","2","298","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Co225.28 Gd468 Sn446 -","- Co225.28 Gd468 Sn446.008 -","- Co225.28 Gd468 Sn446.008 -","1","0.00520833","","Devin C. Schmitt; Neel Haldolaarachchige; Yimin Xiong; David P. Young; Rongying Jin; Julia Y. Chan","Probing the Lower Limit of Lattice Thermal Conductivity in an Ordered Extended Solid: Gd117Co56Sn112, a Phonon Glass-Electron Crystal System","Journal of the American Chemical Society","2012","134","","5965","5973","10.1021/ja300240g","","","0.71073","MoKα","","0.049","0.0318","","","0.0548","0.0568","","","","","","1.492","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117758","8.3826","0.0003","8.2887","0.0003","10.0343","0.0004","90","","107.865","0.002","90","","663.57","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C32 H34 N2 O6 -","2","1","","Mikko V. Leskinen; Kai-Tai Yip; Arto Valkonen; Petri M. Pihko","Palladium-Catalyzed Dehydrogenative β'-Functionalization of β-Keto Esters with Indoles at Room Temperature","Journal of the American Chemical Society","2012","134","","5750","5753","10.1021/ja300684r","","","0.71073","MoKα","","0.0355","0.033","","","0.0758","0.0777","","","","","","1.096","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117759","7.326","0.005","8.475","0.005","13.777","0.005","74.981","0.005","80.138","0.005","89.74","0.005","813.2","0.8","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N O3 -","- C19 H23 N O3 -","- C38 H46 N2 O6 -","2","1","","Mikko V. Leskinen; Kai-Tai Yip; Arto Valkonen; Petri M. Pihko","Palladium-Catalyzed Dehydrogenative β'-Functionalization of β-Keto Esters with Indoles at Room Temperature","Journal of the American Chemical Society","2012","134","","5750","5753","10.1021/ja300684r","","","1.5418","CuKα","","0.0721","0.0586","","","0.1571","0.1775","","","","","","1.092","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117760","13.9405","0.0004","5.5449","0.0001","21.0383","0.0006","90","","107.817","0.003","90","","1548.24","0.07","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Mikko V. Leskinen; Kai-Tai Yip; Arto Valkonen; Petri M. Pihko","Palladium-Catalyzed Dehydrogenative β'-Functionalization of β-Keto Esters with Indoles at Room Temperature","Journal of the American Chemical Society","2012","134","","5750","5753","10.1021/ja300684r","","","1.54183","CuKα","","0.0512","0.0445","","","0.1172","0.1257","","","","","","1.024","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117761","11.59","0.002","20.246","0.004","27.885","0.006","68.834","0.003","84.406","0.004","80.583","0.003","6014","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","penta(2,2,6,6-tetramethyl-3,5-heptanedionate)-lithium(I)- di-manganese(II)","","- C55 H95 Li Mn2 O10 -","- C55 H95 Li Mn2 O10 -","- C220 H380 Li4 Mn8 O40 -","4","2","","Anantharamulu Navulla; Lan Huynh; Zheng Wei; Alexander S. Filatov; Evgeny V. Dikarev","Volatile Single-Source Molecular Precursor for the Lithium Ion Battery Cathode","Journal of the American Chemical Society","2012","134","","5762","5765","10.1021/ja301112q","","","0.71073","Mo-Kα","","0.1392","0.0721","","","0.1318","0.157","","","","","","1.042","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117762","12.609","0.0012","7.9649","0.0007","15.2476","0.0014","90","","104.307","0.002","90","","1483.8","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Cl2 F2 I N O -","- C13 H8 Cl2 F2 I N O -","- C52 H32 Cl8 F8 I4 N4 O4 -","4","1","","Yanchuan Zhao; Bing Gao; Jinbo Hu","From Olefination to Alkylation: In-Situ Halogenation of Julia-Kocienski Intermediates Leading to Formal Nucleophilic Iodo- and Bromodifluoromethylation of Carbonyl Compounds","Journal of the American Chemical Society","2012","134","","5790","5793","10.1021/ja301601b","","","0.71073","MoKα","","0.0331","0.0272","","","0.0667","0.0696","","","","","","1.041","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117763","5.876","0.003","15.458","0.009","17.174","0.01","90","","90","","90","","1559.9","1.5","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Br2 F N O -","- C17 H12 Br2 F N O -","- C68 H48 Br8 F4 N4 O4 -","4","1","","Yanchuan Zhao; Bing Gao; Jinbo Hu","From Olefination to Alkylation: In-Situ Halogenation of Julia-Kocienski Intermediates Leading to Formal Nucleophilic Iodo- and Bromodifluoromethylation of Carbonyl Compounds","Journal of the American Chemical Society","2012","134","","5790","5793","10.1021/ja301601b","","","0.71073","MoKα","","0.073","0.0551","","","0.1313","0.1394","","","","","","1.065","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117764","15.9468","0.0008","6.0282","0.0004","15.2252","0.0008","90","","91.641","0.004","90","","1463.01","0.14","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O3 S -","- C17 H13 N O3 S -","- C68 H52 N4 O12 S4 -","4","1","","Yanchuan Zhao; Bing Gao; Jinbo Hu","From Olefination to Alkylation: In-Situ Halogenation of Julia-Kocienski Intermediates Leading to Formal Nucleophilic Iodo- and Bromodifluoromethylation of Carbonyl Compounds","Journal of the American Chemical Society","2012","134","","5790","5793","10.1021/ja301601b","","","1.54178","CuKα","","0.1023","0.0821","","","0.2135","0.2361","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117765","14.7003","0.0006","9.6373","0.0005","17.7689","0.0007","90","","96.316","0.003","90","","2502.06","0.19","150","0.2","150","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H32 U -","- C31.5 H32 U -","- C126 H128 U4 -","4","1","","Steven J. Kraft; Phillip E. Fanwick; Suzanne C. Bart","Carbon-Carbon Reductive Elimination from Homoleptic Uranium(IV) Alkyls Induced by Redox-Active Ligands","Journal of the American Chemical Society","2012","134","","6160","6168","10.1021/ja209524u","","","1.54184","CU-Kα","","0.047","0.046","","","0.132","0.134","","","","","","1.134","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4117766","11.3441","0.0002","16.1454","0.0003","21.4984","0.0004","105.701","0.0006","98.6041","0.0007","110.11","0.0006","3428.88","0.11","150","0.02","150","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C36 H49 O0.5 P2 U -","- C36 H49 O0.5 P2 U -","- C144 H196 O2 P8 U4 -","4","2","","Steven J. Kraft; Phillip E. Fanwick; Suzanne C. Bart","Carbon-Carbon Reductive Elimination from Homoleptic Uranium(IV) Alkyls Induced by Redox-Active Ligands","Journal of the American Chemical Society","2012","134","","6160","6168","10.1021/ja209524u","","","0.71073","MO-Kα","","0.09","0.056","","","0.108","0.126","","","","","","1.095","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4117767","10.8034","0.0017","15.318","0.003","20.369","0.003","109.293","0.002","102.347","0.002","93.685","0.002","3074.5","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H37 Cl Fe N2 P2 -","- C35 H37 Cl Fe N2 P2 -","- C140 H148 Cl4 Fe4 N8 P8 -","4","2","","Tianbiao Liu; Shentan Chen; Molly J. O'Hagan; Mary Rakowski DuBois; R. Morris Bullock; Daniel L. DuBois","Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H2","Journal of the American Chemical Society","2012","134","","6257","6272","10.1021/ja211193j","","","0.71073","MoKα","","0.0486","0.0336","","","0.0749","0.0814","","","","","","1.017","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117768","13.3964","0.0017","9.939","0.0013","25.814","0.003","90","","91.925","0.001","90","","3435.1","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Cl Fe N2 O1.5 P2 -","- C38 H42 Cl Fe N2 O1.5 P2 -","- C152 H168 Cl4 Fe4 N8 O6 P8 -","4","1","","Tianbiao Liu; Shentan Chen; Molly J. O'Hagan; Mary Rakowski DuBois; R. Morris Bullock; Daniel L. DuBois","Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H2","Journal of the American Chemical Society","2012","134","","6257","6272","10.1021/ja211193j","","","0.71073","MoKα","","0.0471","0.0337","","","0.0764","0.0819","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117769","13.223","0.005","15.446","0.005","16.748","0.006","98.679","0.017","100.617","0.019","100.169","0.017","3249","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H51 B F24 Fe N2 P2 -","- C67 H51 B F24 Fe N2 P2 -","- C134 H102 B2 F48 Fe2 N4 P4 -","2","1","","Tianbiao Liu; Shentan Chen; Molly J. O'Hagan; Mary Rakowski DuBois; R. Morris Bullock; Daniel L. DuBois","Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H2","Journal of the American Chemical Society","2012","134","","6257","6272","10.1021/ja211193j","","","0.71073","MoKα","","0.1304","0.0959","","","0.1839","0.1911","","","","","","2.348","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117770","11.5342","0.0003","17.2154","0.0004","15.2044","0.0004","90","","100.09","0.001","90","","2972.38","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H38 Fe N2 P2 -","- C35 H38 Fe N2 P2 -","- C140 H152 Fe4 N8 P8 -","4","1","","Tianbiao Liu; Shentan Chen; Molly J. O'Hagan; Mary Rakowski DuBois; R. Morris Bullock; Daniel L. DuBois","Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H2","Journal of the American Chemical Society","2012","134","","6257","6272","10.1021/ja211193j","","","0.71073","MoKα","","0.0558","0.0348","","","0.0786","0.0877","","","","","","0.952","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117771","9.4452","0.0003","13.8524","0.0004","15.8369","0.0005","90","","106.667","0.001","90","","1985.03","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 Cl2 Fe2 P4 -","- C44 H50 Cl2 Fe2 P4 -","- C88 H100 Cl4 Fe4 P8 -","2","0.5","","Tianbiao Liu; Shentan Chen; Molly J. O'Hagan; Mary Rakowski DuBois; R. Morris Bullock; Daniel L. DuBois","Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H2","Journal of the American Chemical Society","2012","134","","6257","6272","10.1021/ja211193j","","","0.71073","MoKα","","0.0319","0.0258","","","0.0907","0.0983","","","","","","0.795","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117772","12.7101","0.0005","38.6697","0.0014","13.7469","0.0005","90","","103.914","0.0005","90","","6558.3","0.4","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H102 K2 N3 O14 Si6 Y -","- C42 H102 K2 N3 O15.52 Si6 Y -","- C168 H408 K8 N12 O62.08 Si24 Y4 -","4","1","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0688","0.0442","","","0.0996","0.1088","","","","","","1.016","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117773","25.705","0.005","18.868","0.004","25.933","0.005","90","","103.293","0.003","90","","12241","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H190 K2 N6 O21 Si12 Y2 -","- C78 H190 K2 N6 O21 Si12 Y2 -","- C312 H760 K8 N24 O84 Si48 Y8 -","4","0.5","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0383","0.0276","","","0.0699","0.075","","","","","","1.027","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117774","14.9104","0.0007","15.1022","0.0007","15.5953","0.0008","94.6026","0.0006","114.888","0.0006","108.342","0.0006","2930.1","0.2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H188 K2 N6 O18 Si12 Y2 -","- C78 H188 K2 N6 O18 Si12 Y2 -","- C78 H188 K2 N6 O18 Si12 Y2 -","1","0.5","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0855","0.0687","","","0.1991","0.212","","","","","","1.046","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117775","21.499","0.002","19.7847","0.0018","26.014","0.002","90","","90","","90","","11065.1","1.7","88","2","88","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H85 K N3 O7 Si6 Y -","- C38 H85 K N3 O7 Si6 Y -","- C304 H680 K8 N24 O56 Si48 Y8 -","8","1","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0795","0.0654","","","0.1699","0.1819","","","","","","1.051","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117776","11.5505","0.0007","14.5565","0.0009","14.667","0.0009","92.9862","0.0008","106.952","0.0007","109.399","0.0007","2194.4","0.2","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H138 K2 N6 O6 Si12 Y2 -","- C54 H138 K2 N6 O6 Si12 Y2 -","- C54 H138 K2 N6 O6 Si12 Y2 -","1","0.5","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.042","0.0381","","","0.1003","0.1028","","","","","","1.049","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117777","12.5868","0.0008","38.456","0.002","14.1813","0.0009","90","","101.768","0.0008","90","","6720","0.7","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H102 K2 N3 O16 Si6 Y -","- C44 H102 K2 N3 O16 Si6 Y -","- C176 H408 K8 N12 O64 Si24 Y4 -","4","1","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.067","0.0455","","","0.0969","0.104","","","","","","1.057","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117778","11.1975","0.0008","18.1867","0.0014","16.7355","0.0012","90","","100.949","0.001","90","","3346.1","0.4","93","2","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H102 K2 Lu N3 O14 Si6 -","- C42 H102 K2 Lu N3 O15.52 Si6 -","- C84 H204 K4 Lu2 N6 O31.04 Si12 -","2","1","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0518","0.0443","","","0.109","0.1125","","","","","","1.029","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117779","25.4359","0.001","18.7392","0.0008","25.6999","0.001","90","","103.009","0.0005","90","","11935.4","0.8","88","2","88","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H190 K2 Lu2 N6 O21 Si12 -","- C78 H190 K2 Lu2 N6 O21 Si12 -","- C312 H760 K8 Lu8 N24 O84 Si48 -","4","0.5","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0422","0.0248","","","0.0471","0.0526","","","","","","0.994","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117780","15.399","0.0014","15.6526","0.0014","15.8991","0.0015","61.9215","0.0009","66.376","0.001","65.6289","0.001","2976.5","0.5","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H196 K2 Lu2 N6 O18 Si12 -","- C78 H196 K2 Lu2 N6 O18 Si12 -","- C78 H196 K2 Lu2 N6 O18 Si12 -","1","0.5","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0404","0.0349","","","0.0813","0.086","","","","","","1.032","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117781","9.611","0.003","32.246","0.01","12.883","0.004","90","","90","","90","","3993","2","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba23 Ga8 S38 Sb2 -","- Ba23 Ga8 S38 Sb2 -","- Ba46 Ga16 S76 Sb4 -","2","0.25","","Mei-Chun Chen; Li-Ming Wu; Hua Lin; Liu-Jiang Zhou; Ling Chen","Disconnection Enhances the Second Harmonic Generation Response: Synthesis and Characterization of Ba23Ga8Sb2S38","Journal of the American Chemical Society","2012","134","","6058","6060","10.1021/ja300249n","","","0.71073","MoKα","","0.0167","0.0155","","","0.0375","0.0377","","","","","","1.066","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117782","8.095","0.003","11.075","0.003","11.901","0.004","100.436","0.005","99.633","0.005","107.409","0.005","972.9","0.6","153","2","153","2","","","","","","","","2","P -1","-P 1","2","","","","- C30 H20 -","- C30 H20 -","- C60 H40 -","2","1","","Sean T. Roberts; R. Eric McAnally; Joseph N. Mastron; David H. Webber; Matthew T. Whited; Richard L. Brutchey; Mark E. Thompson; Stephen E. Bradforth","Efficient Singlet Fission Discovered in a Disordered Acene Film","Journal of the American Chemical Society","2012","134","","6388","6400","10.1021/ja300504t","","","0.71073","MoKα","","0.0822","0.041","","","0.0577","0.0613","","","","","","0.903","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117783","20.2918","0.0002","45.0388","0.0004","29.4768","0.0003","90","","89.94","","90","","26939.4","0.5","193","2","193","","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","","- C168.25 B0 N8 O80 Pd4 Si2 W20 -","- C168.12 N8 O80 Pd4 Si2 W20 -","- C672.48 N32 O320 Pd16 Si8 W80 -","4","1","","Tomohisa Hirano; Kazuhiro Uehara; Keigo Kamata; Noritaka Mizuno","Palladium(II) Containing γ-Keggin Silicodecatungstate That Efficiently Catalyzes Hydration of Nitriles","Journal of the American Chemical Society","2012","134","","6425","6433","10.1021/ja3006012","","x-ray","0.71069","MoKα","","","0.0924","","","","0.2303","","","","","","1.054","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117784","9.7005","0.0019","21.43","0.004","19.585","0.004","90","","104.19","0.03","90","","3947.1","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H63 P Pb Si8 -","- C22 H63 P Pb Si8 -","- C88 H252 P4 Pb4 Si32 -","4","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Dispersion Energy Enforced Dimerization of a Cyclic Disilylated Plumbylene","Journal of the American Chemical Society","2012","134","","6409","6415","10.1021/ja300654t","","","0.71073","MoKα","","0.0635","0.0584","","","0.1597","0.1617","","","","","","1.066","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117785","11.896","0.002","12.182","0.002","20.051","0.004","81.96","0.03","74.89","0.03","61.25","0.03","2459.1","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 B F15 Pb Si8 -","- C34 H48 B F15 Pb Si8 -","- C68 H96 B2 F30 Pb2 Si16 -","2","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Dispersion Energy Enforced Dimerization of a Cyclic Disilylated Plumbylene","Journal of the American Chemical Society","2012","134","","6409","6415","10.1021/ja300654t","","","0.71073","MoKα","","0.0562","0.0485","","","0.1129","0.1163","","","","","","1.038","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117786","15.913","0.003","18.062","0.004","23.793","0.005","90","","98.49","0.03","90","","6764","2","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H96 Pb2 Si16 -","- C32 H96 Pb2 Si16 -","- C128 H384 Pb8 Si64 -","4","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Dispersion Energy Enforced Dimerization of a Cyclic Disilylated Plumbylene","Journal of the American Chemical Society","2012","134","","6409","6415","10.1021/ja300654t","","","0.71073","MoKα","","0.1085","0.0691","","","0.1609","0.1771","","","","","","0.949","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117787","12.319","0.0006","10.3129","0.0006","17.3538","0.0009","90","","102.139","0.004","90","","2155.4","0.2","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 O5 -","- C27 H24 O5 -","- C108 H96 O20 -","4","1","","Philip Magnus; Wesley A. Freund; Eric J. Moorhead; Trevor Rainey","Formal Synthesis of (\±)-Methyl Rocaglate Using an Unprecedented Acetyl Bromide Mediated Nazarov Reaction","Journal of the American Chemical Society","2012","134","","6140","6142","10.1021/ja300900p","","","0.71073","MoKα","","0.1481","0.054","","","0.0961","0.1227","","","","","","0.992","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117788","10.2737","0.0005","10.3745","0.0004","10.584","0.0005","80.793","0.002","78.723","0.002","85.817","0.002","1091.05","0.09","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H24 O6 -","- C27 H24 O6 -","- C54 H48 O12 -","2","1","","Philip Magnus; Wesley A. Freund; Eric J. Moorhead; Trevor Rainey","Formal Synthesis of (\±)-Methyl Rocaglate Using an Unprecedented Acetyl Bromide Mediated Nazarov Reaction","Journal of the American Chemical Society","2012","134","","6140","6142","10.1021/ja300900p","","","0.71073","MoKα","","0.1841","0.0548","","","0.0932","0.1255","","","","","","0.957","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117789","19.524","0.008","9.76","0.004","17.961","0.008","90","","92.212","0.006","90","","3420","2","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H45 B Cl2 Fe N8 S3 W -","- C25 H45 B Cl2 Fe N8 S3 W -","- C100 H180 B4 Cl8 Fe4 N32 S12 W4 -","4","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0321","0.0252","","","0.053","0.0558","","","","","","1.035","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117790","10.4157","0.0017","10.4559","0.0018","18.83","0.003","80.31","0.003","80.003","0.003","82.389","0.003","1979.5","0.6","100","1","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C26 H48.5 B Cl2 Fe2 N7.5 S4 W -","- C26 H48.5 B Cl2 Fe2 N7.5 S4 W -","- C52 H97 B2 Cl4 Fe4 N15 S8 W2 -","2","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.054","0.0469","","","0.1163","0.1195","","","","","","1.127","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117791","12.386","0.002","18.724","0.003","18.774","0.003","71.878","0.002","85.544","0.002","74.194","0.002","3981.4","1.1","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C58 H114 B2 Fe4 N14 S12 W2 -","- C58 H114 B2 Fe4 N14 S12 W2 -","- C116 H228 B4 Fe8 N28 S24 W4 -","2","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0386","0.0273","","","0.0504","0.054","","","","","","1.046","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117792","9.8026","0.0015","33.054","0.006","11.7328","0.0019","90","","111.846","0.003","90","","3528.6","1","100","1","100","1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 B Cl3 Fe3 N7 S3 Se W -","- C23 H42 B Cl3 Fe3 N7 S3 Se W -","- C92 H168 B4 Cl12 Fe12 N28 S12 Se4 W4 -","4","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.038","0.0328","","","0.061","0.0623","","","","","","1.163","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117793","10.7035","0.0015","11.7457","0.0016","20.309","0.003","90.973","0.002","91.723","0.002","110.001","0.002","2397.2","0.6","100","1","100","1","","","","","","","","9","P -1","-P 1","2","","","","- C31 H61 B Fe3 N7 O0.5 S6 Se W -","- C31 H61 B Fe3 N7 O0.5 S6 Se W -","- C62 H122 B2 Fe6 N14 O S12 Se2 W2 -","2","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0443","0.0388","","","0.1057","0.1111","","","","","","1.077","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117794","11.5364","0.0009","15.3524","0.0012","35.917","0.003","90","","92.642","0.001","90","","6354.5","0.9","100","1","100","1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C57 H87 B2 Fe3 N6 P3 S3 Se W -","- C57 H87 B2 Fe3 N6 P3 S3 Se W -","- C228 H348 B8 Fe12 N24 P12 S12 Se4 W4 -","4","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0473","0.0354","","","0.0725","0.0768","","","","","","1.062","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117795","23.5402","0.0013","18.55","0.001","25.5168","0.0013","90","","94.29","0.001","90","","11111.2","1","100","1","100","1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C67 H135 B2 Fe6 N19 O3.5 S9 Se2 W2 -","- C67 H135 B2 Fe6 N19 O3.5 S9 Se2 W2 -","- C268 H540 B8 Fe24 N76 O14 S36 Se8 W8 -","4","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.066","0.0404","","","0.1082","0.1212","","","","","","1.025","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117796","16.21","0.002","16.571","0.003","21.42","0.004","75.838","0.005","87.466","0.005","66.487","0.003","5106.4","1.5","100","1","100","1","","","","","","","","9","P -1","-P 1","2","","","","- C68 H139 B2 Fe6 N19 O4.5 S6 Se5 W2 -","- C68 H139 B2 Fe6 N19 O4.5 S6 Se5 W2 -","- C136 H278 B4 Fe12 N38 O9 S12 Se10 W4 -","2","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0697","0.0449","","","0.114","0.1259","","","","","","1.018","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117797","23.704","0.003","18.9992","0.0019","25.383","0.003","90","","93.757","0.003","90","","11407","2","100","1","100","1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C65 H132 B2 Fe6 N17 O2.5 S9 Se2 W2 -","- C65 H132 B2 Fe6 N17 O2.5 S9 Se2 W2 -","- C260 H528 B8 Fe24 N68 O10 S36 Se8 W8 -","4","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0663","0.0481","","","0.138","0.1489","","","","","","1.032","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117798","16.114","0.002","13.4046","0.0018","30.402","0.004","90","","101.553","0.002","90","","6433.8","1.5","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H78 B2 Fe4 N15 O2 S9 W2 -","- C44 H78 B2 Fe4 N15 O2 S9 W2 -","- C176 H312 B8 Fe16 N60 O8 S36 W8 -","4","0.5","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0786","0.0689","","","0.2371","0.2439","","","","","","1.081","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117799","20.431","0.006","10.277","0.003","37.268","0.011","90","","91.281","0.005","90","","7823","4","100","2","100","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C53.5 H101.5 B2 Fe4 N16.5 O2.5 S9 W2 -","- C53.5 H101.5 B2 Fe4 N16.5 O2.5 S9 W2 -","- C214 H406 B8 Fe16 N66 O10 S36 W8 -","4","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.1561","0.0703","","","0.1525","0.1937","","","","","","1.008","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117800","28.845","0.005","18.556","0.003","27.418","0.005","90","","111.003","0.002","90","","13700","4","100","1","100","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H44 B2 Fe4 N12 S6 Se3 W2 -","- C30 H44 B2 Fe4 N12 S6 Se3 W2 -","- C240 H352 B16 Fe32 N96 S48 Se24 W16 -","8","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0916","0.0524","","","0.1407","0.1555","","","","","","1.037","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117801","20.221","0.011","20.241","0.012","21.45","0.013","89.618","0.008","86.912","0.012","64.479","0.009","7910","8","100","1","100","1","","","","","","","","9","P -1","-P 1","2","","","","- C101 H189 B4 Fe8 N31 O3 S12 Se6 W4 -","- C101 H189 B4 Fe8 N31 O3 S12 Se6 W4 -","- C202 H378 B8 Fe16 N62 O6 S24 Se12 W8 -","2","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.1981","0.0811","","","0.1947","0.2462","","","","","","1.027","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117802","30.352","0.009","11.039","0.003","22.117","0.007","90","","92.148","0.006","90","","7405","4","100","1","100","1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C54 H104 B2 Fe6 N12 P4 S6 Se2 W2 -","- C54 H104 B2 Fe6 N12 P4 S6 Se2 W2 -","- C216 H416 B8 Fe24 N48 P16 S24 Se8 W8 -","4","0.5","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0499","0.0338","","","0.0748","0.0821","","","","","","1.028","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117803","8.3627","0.0003","16.4334","0.0006","15.9457","0.0006","90","","99.668","0.001","90","","2160.26","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DACAcetylene","","","- C26 H30 N2 O2 -","- C26 H30 N2 O2 -","- C104 H120 N8 O8 -","4","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Alkyne and Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis of Cyclopropenes, Cyclopropenones, and Azirines","Journal of the American Chemical Society","2012","134","","6116","6119","10.1021/ja3014105","","","0.71075","MoKα","","0.0466","0.0419","","","0.1141","0.1182","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117804","16.8334","0.0016","8.7348","0.0008","24.305","0.002","90","","100.763","0.002","90","","3510.9","0.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DACtBuphenylacetylene","","","- C42 H48 N2 O2 -","- C42 H48 N2 O2 -","- C168 H192 N8 O8 -","4","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Alkyne and Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis of Cyclopropenes, Cyclopropenones, and Azirines","Journal of the American Chemical Society","2012","134","","6116","6119","10.1021/ja3014105","","","0.71075","MoKα","","0.0713","0.0561","","","0.1446","0.1552","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117805","12.0444","0.0009","23.2835","0.0017","11.9648","0.0009","90","","103.659","0.002","90","","3260.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DACCyclohexylacetylene","","","- C38 H46 N2 O2 -","- C38 H46 N2 O2 -","- C152 H184 N8 O8 -","4","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Alkyne and Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis of Cyclopropenes, Cyclopropenones, and Azirines","Journal of the American Chemical Society","2012","134","","6116","6119","10.1021/ja3014105","","","0.71075","MoKα","","0.0989","0.0647","","","0.1534","0.1775","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117806","9.2245","0.0014","11.6531","0.0018","14.266","0.002","97.528","0.004","104.301","0.004","108.506","0.003","1372.1","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","DACDMADKinetic","","","- C30 H34 N2 O6 -","- C30 H34 N2 O6 -","- C60 H68 N4 O12 -","2","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Alkyne and Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis of Cyclopropenes, Cyclopropenones, and Azirines","Journal of the American Chemical Society","2012","134","","6116","6119","10.1021/ja3014105","","","0.71075","MoKα","","0.1061","0.0642","","","0.14","0.1672","","","","","","1.006","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117807","20.1337","0.001","8.1571","0.0004","33.9244","0.0017","90","","93.899","0.003","90","","5558.6","0.5","120","2","120","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","DACDMADthermal","","","- C30 H34 N2 O6 -","- C30 H34 N2 O6 -","- C240 H272 N16 O48 -","8","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Alkyne and Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis of Cyclopropenes, Cyclopropenones, and Azirines","Journal of the American Chemical Society","2012","134","","6116","6119","10.1021/ja3014105","","","0.71075","MoKα","","0.0806","0.0563","","","0.1178","0.1296","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117808","8.7238","0.0003","17.0451","0.0007","18.8797","0.0007","90","","95.197","0.001","90","","2795.83","0.18","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DACMeOBenzonitrile","","","- C32 H35 N3 O3 -","- C32 H35 N3 O3 -","- C128 H140 N12 O12 -","4","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Alkyne and Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis of Cyclopropenes, Cyclopropenones, and Azirines","Journal of the American Chemical Society","2012","134","","6116","6119","10.1021/ja3014105","","","0.71075","MoKα","","0.044","0.0398","","","0.1033","0.1062","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117809","11.88","0.003","12.278","0.003","12.464","0.003","70.128","0.005","61.921","0.004","73.727","0.005","1492.6","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","DACTetracyanoethylene","","","- C31 H29 Cl3 N6 O2 -","- C31 H29 Cl3 N6 O2 -","- C62 H58 Cl6 N12 O4 -","2","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Alkyne and Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis of Cyclopropenes, Cyclopropenones, and Azirines","Journal of the American Chemical Society","2012","134","","6116","6119","10.1021/ja3014105","","","0.71075","MoKα","","0.158","0.0863","","","0.1811","0.2205","","","","","","1.006","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117810","18.911","0.006","9.338","0.003","19.236","0.005","90","","116.261","0.003","90","","3046.3","1.6","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 O2 Si -","- C39 H36 O2 Si -","- C156 H144 O8 Si4 -","4","1","","Yasunori Minami; Yuki Shiraishi; Kotomi Yamada; Tamejiro Hiyama","Palladium-Catalyzed Cycloaddition of Alkynyl Aryl Ethers with Internal Alkynes via Selective Ortho C-H Activation","Journal of the American Chemical Society","2012","134","","6124","6127","10.1021/ja301588z","","","0.71075","MoKα","","","0.0557","","","","0.1178","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117811","9.2723","0.0009","16.0604","0.0016","18.9428","0.0019","90","","90","","90","","2820.9","0.5","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H25 Br3 N4 O -","- C32 H25 Br3 N4 O -","- C128 H100 Br12 N16 O4 -","4","1","","Daniel A. DiRocco; Kevin M. Oberg; Tomislav Rovis","Isolable Analogues of the Breslow Intermediate Derived from Chiral Triazolylidene Carbenes","Journal of the American Chemical Society","2012","134","","6143","6145","10.1021/ja302031v","","","0.71073","MoKα","","0.1035","0.0371","","","0.0586","0.0693","","","","","","0.961","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117812","9.852","0.0004","8.8052","0.0004","17.8104","0.0007","90","","90.677","0.002","90","","1544.92","0.11","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H27 Br3 N4 O -","- C34 H27 Br3 N4 O -","- C68 H54 Br6 N8 O2 -","2","1","","Daniel A. DiRocco; Kevin M. Oberg; Tomislav Rovis","Isolable Analogues of the Breslow Intermediate Derived from Chiral Triazolylidene Carbenes","Journal of the American Chemical Society","2012","134","","6143","6145","10.1021/ja302031v","","","0.71073","MoKα","","0.1373","0.0618","","","0.1507","0.176","","","","","","1.031","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117813","13.3302","0.0008","14.5868","0.001","23.7796","0.0017","92.59","0.003","93.906","0.003","103.155","0.003","4483.3","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H95 B2 Cu2 N11 O4 S2 -","- C108 H95 B2 Cu2 N11 O4 S2 -","- C216 H190 B4 Cu4 N22 O8 S4 -","2","1","","Anuj K. Sharma; Stephanie T. Pavlova; Jaekwang Kim; Darren Finkelstein; Nicholas J. Hawco; Nigam P. Rath; Jungsu Kim; Liviu M. Mirica","Bifunctional Compounds for Controlling Metal-Mediated Aggregation of the Aβ42 Peptide","Journal of the American Chemical Society","2012","134","","6625","6636","10.1021/ja210588m","","","0.71073","MoKα","","0.0588","0.0391","","","0.0757","0.0841","","","","","","1.011","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117814","24.378","0.002","20.8777","0.0016","26.115","0.002","90","","102.489","0.003","90","","12976.9","1.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C111 H133 Cl4 N16 O40 S4 Zn4 -","- C111 H107 Cl4 N16 O40 S4 Zn4 -","- C444 H428 Cl16 N64 O160 S16 Zn16 -","4","1","","Anuj K. Sharma; Stephanie T. Pavlova; Jaekwang Kim; Darren Finkelstein; Nicholas J. Hawco; Nigam P. Rath; Jungsu Kim; Liviu M. Mirica","Bifunctional Compounds for Controlling Metal-Mediated Aggregation of the Aβ42 Peptide","Journal of the American Chemical Society","2012","134","","6625","6636","10.1021/ja210588m","","","0.71073","MoKα","","0.0894","0.0664","","","0.1739","0.1998","","","","","","1.125","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117815","17.176","0.007","11.301","0.004","10.045","0.004","90","","96.726","0.011","90","","1936.4","1.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Cu N6 O4 S2 -","- C44 H40 Cu N6 O4 S2 -","- C88 H80 Cu2 N12 O8 S4 -","2","0.5","","Anuj K. Sharma; Stephanie T. Pavlova; Jaekwang Kim; Darren Finkelstein; Nicholas J. Hawco; Nigam P. Rath; Jungsu Kim; Liviu M. Mirica","Bifunctional Compounds for Controlling Metal-Mediated Aggregation of the Aβ42 Peptide","Journal of the American Chemical Society","2012","134","","6625","6636","10.1021/ja210588m","","","0.71073","MoKα","","0.1312","0.0662","","","0.1537","0.1918","","","","","","1.014","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117816","24.349","0.0009","24.349","0.0009","24.349","0.0009","90","","90","","90","","14435.9","0.9","100","2","100","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C143 H139 Cl2 N23 O23 S6 Zn6 -","- C143 H129 Cl2 N23 O23 S6 Zn6 -","- C572 H516 Cl8 N92 O92 S24 Zn24 -","4","0.166667","","Anuj K. Sharma; Stephanie T. Pavlova; Jaekwang Kim; Darren Finkelstein; Nicholas J. Hawco; Nigam P. Rath; Jungsu Kim; Liviu M. Mirica","Bifunctional Compounds for Controlling Metal-Mediated Aggregation of the Aβ42 Peptide","Journal of the American Chemical Society","2012","134","","6625","6636","10.1021/ja210588m","","","0.71073","MoKα","","0.1372","0.0923","","","0.2494","0.302","","","","","","1.048","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117817","16.898","0.004","20.061","0.005","28.135","0.007","93.763","0.005","100.76","0.005","98.377","0.005","9227","4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H156 Pd6 S12 -","- C72 H156 Pd6 S12 -","- C288 H624 Pd24 S48 -","4","2","","Valentine P. Ananikov; Nikolay V. Orlov; Sergey S. Zalesskiy; Irina P. Beletskaya; Victor N. Khrustalev; Keiji Morokuma; Djamaladdin G. Musaev","Catalytic Adaptive Recognition of Thiol (SH) and Selenol (SeH) Groups Toward Synthesis of Functionalized Vinyl Monomers","Journal of the American Chemical Society","2012","134","","6637","6649","10.1021/ja210596w","","","0.71073","MoKα","","0.2447","0.0845","","","0.1523","0.1785","","","","","","1.024","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117818","13.0069","0.001","15.6351","0.0011","20.2288","0.0015","104.369","0.001","104.206","0.001","99.76","0.001","3745.2","0.5","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75 H66 B F24 N O P3 Ru Si -","- C75 H66 B F24 N O P3 Ru Si -","- C150 H132 B2 F48 N2 O2 P6 Ru2 Si2 -","2","1","","Ayumi Takaoka; Marc-Etienne Moret; Jonas C. Peters","A Ru(I) Metalloradical That Catalyzes Nitrene Coupling to Azoarenes from Arylazides","Journal of the American Chemical Society","2012","134","","6695","6706","10.1021/ja211603f","","","0.71073","MoKα","","0.0634","0.0492","","","0.1511","0.1654","","","","","","1.201","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117819","15.1068","0.0014","15.2076","0.0012","17.5911","0.0016","90","","110.504","0.003","90","","3785.3","0.6","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C75 H73 B F24 N3 O P3 Ru Si -","- C75 H73 B F24 N3 O P3 Ru Si -","- C150 H146 B2 F48 N6 O2 P6 Ru2 Si2 -","2","1","","Ayumi Takaoka; Marc-Etienne Moret; Jonas C. Peters","A Ru(I) Metalloradical That Catalyzes Nitrene Coupling to Azoarenes from Arylazides","Journal of the American Chemical Society","2012","134","","6695","6706","10.1021/ja211603f","","","0.71073","MoKα","","0.0964","0.0595","","","0.1309","0.1515","","","","","","1.017","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117820","12.6608","0.0006","13.329","0.0006","28.9276","0.0013","90","","92.074","0.002","90","","4878.5","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H69 F6 N O2 P4 Ru Si -","- C47 H69 F6 N O2 P4 Ru Si -","- C188 H276 F24 N4 O8 P16 Ru4 Si4 -","4","1","","Ayumi Takaoka; Marc-Etienne Moret; Jonas C. Peters","A Ru(I) Metalloradical That Catalyzes Nitrene Coupling to Azoarenes from Arylazides","Journal of the American Chemical Society","2012","134","","6695","6706","10.1021/ja211603f","","","0.71073","MoKα","","0.056","0.0386","","","0.1005","0.1133","","","","","","1.062","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117821","17.4556","0.0004","15.9409","0.0004","20.2398","0.0005","90","","110.714","0.002","90","","5267.8","0.2","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C52 H66 F6 N O5 P3 Ru S Si -","- C52 H66 F6 N O5 P3 Ru S Si -","- C208 H264 F24 N4 O20 P12 Ru4 S4 Si4 -","4","1","","Ayumi Takaoka; Marc-Etienne Moret; Jonas C. Peters","A Ru(I) Metalloradical That Catalyzes Nitrene Coupling to Azoarenes from Arylazides","Journal of the American Chemical Society","2012","134","","6695","6706","10.1021/ja211603f","","","1.54178","CuKα","","0.0355","0.0337","","","0.0974","0.0995","","","","","","1.051","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117822","11.7577","0.0004","14.9817","0.0005","16.9882","0.0005","88.234","0.002","73.097","0.002","86.124","0.002","2856.45","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(Phenyltris(3-mesitylimidazol-2-ylidine)borato) (2,2',6,6'-tetramethylpipyridylnitroxido)iron(II)","","- C51 H62 B Fe N7 O -","- C51 H62 B Fe N7 O -","- C102 H124 B2 Fe2 N14 O2 -","2","1","","Jeremy M. Smith; Derick E. Mayberry; Charles G. Margarit; Jörg Sutter; Haobin Wang; Karsten Meyer; Ranko P. Bontchev","N-O Bond Homolysis of an Iron(II) TEMPO Complex Yields an Iron(III) Oxo Intermediate","Journal of the American Chemical Society","2012","134","","6516","6519","10.1021/ja211882e","","","0.71073","MoKα","","0.0457","0.0427","","","0.125","0.1283","","","","","","1.079","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117823","12.1292","0.0004","12.236","0.0004","17.9044","0.0006","98.278","0.002","99.104","0.002","100.639","0.002","2537.27","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H59 B Fe N6 O -","- C61 H59 B Fe N6 O -","- C122 H118 B2 Fe2 N12 O2 -","2","1","","Jeremy M. Smith; Derick E. Mayberry; Charles G. Margarit; Jörg Sutter; Haobin Wang; Karsten Meyer; Ranko P. Bontchev","N-O Bond Homolysis of an Iron(II) TEMPO Complex Yields an Iron(III) Oxo Intermediate","Journal of the American Chemical Society","2012","134","","6516","6519","10.1021/ja211882e","","","0.71073","MoKα","","0.0826","0.0479","","","0.1338","0.1576","","","","","","1.076","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117824","12.5259","0.0004","21.7719","0.0007","14.6165","0.0005","90","","114.146","0.001","90","","3637.3","0.2","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cl3 F3 N9 O3 Rh S -","- C34 H24 Cl3 F3 N9 O3 Rh S -","- C136 H96 Cl12 F12 N36 O12 Rh4 S4 -","4","1","","Nanda D. Paul; Utpal Rana; Sreetosh Goswami; Tapan K. Mondal; Sreebrata Goswami","Azo Anion Radical Complex of Rhodium as a Molecular Memory Switching Device: Isolation, Characterization, and Evaluation of Current-Voltage Characteristics","Journal of the American Chemical Society","2012","134","","6520","6523","10.1021/ja212197s","","","0.71073","MoKα","","0.0472","0.0325","","","0.077","0.0842","","","","","","1.033","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4117825","10.571","0.011","12.8345","0.0014","21.125","0.002","90","","91.8493","0.0041","90","","2865","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H27 O4 P S -","- C38 H27 O4 P S -","- C152 H108 O16 P4 S4 -","4","1","","Pierre-Antoine Bouit; Aude Escande; Rózsa Szücs; Dénes Szieberth; Christophe Lescop; László Nyulászi; Muriel Hissler; Régis Réau","Dibenzophosphapentaphenes: Exploiting P Chemistry for Gap Fine-Tuning and Coordination-Driven Assembly of Planar Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","2012","134","","6524","6527","10.1021/ja300171y","","","0.71069","MoKα","","0.159","0.0662","","","0.1667","0.2419","","","","","","0.828","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117826","9.1252","0.0004","14.5686","0.0006","16.1866","0.0008","112.794","0.003","102.556","0.002","94.197","0.002","1906.52","0.16","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H32 Cl2 F3 O7 P S2 -","- C41 H32 Cl2 F3 O7 P S2 -","- C82 H64 Cl4 F6 O14 P2 S4 -","2","1","","Pierre-Antoine Bouit; Aude Escande; Rózsa Szücs; Dénes Szieberth; Christophe Lescop; László Nyulászi; Muriel Hissler; Régis Réau","Dibenzophosphapentaphenes: Exploiting P Chemistry for Gap Fine-Tuning and Coordination-Driven Assembly of Planar Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","2012","134","","6524","6527","10.1021/ja300171y","","","0.71073","MoKα","","0.0758","0.056","","","0.1504","0.1713","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117827","12.7622","0.0011","13.2528","0.001","14.1164","0.001","87.397","0.004","79.573","0.004","61.235","0.004","2056","0.3","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C76 H54 Au B0 Cl0 F0 O8 P2 S0 -","- C76 H54 Au O8 P2 -","- C76 H54 Au O8 P2 -","1","0.5","","Pierre-Antoine Bouit; Aude Escande; Rózsa Szücs; Dénes Szieberth; Christophe Lescop; László Nyulászi; Muriel Hissler; Régis Réau","Dibenzophosphapentaphenes: Exploiting P Chemistry for Gap Fine-Tuning and Coordination-Driven Assembly of Planar Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","2012","134","","6524","6527","10.1021/ja300171y","","","0.71069","MoKα","","0.0376","0.0344","","","0.0941","0.0963","","","","","","1.077","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117828","10.3706","0.0017","9.6865","0.0016","11.846","0.002","90","","93.873","0.013","90","","1187.3","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N2 O3 -","- C10 H18 N2 O3 -","- C40 H72 N8 O12 -","4","1","","Maréva Fèvre; Julien Pinaud; Alexandre Leteneur; Yves Gnanou; Joan Vignolle; Daniel Taton; Karinne Miqueu; Jean-Marc Sotiropoulos","Imidazol(in)ium Hydrogen Carbonates as a Genuine Source of N-Heterocyclic Carbenes (NHCs): Applications to the Facile Preparation of NHC Metal Complexes and to NHC-Organocatalyzed Molecular and Macromolecular Syntheses","Journal of the American Chemical Society","2012","134","","6776","6784","10.1021/ja3005804","","","1.54178","CuKα","","0.0859","0.0737","","","0.1745","0.1892","","","","","","1.016","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117829","8.7605","0.0002","11.7073","0.0004","29.4967","0.0009","90","","90","","90","","3025.23","0.15","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H29 N O3 Si -","- C38 H29 N O3 Si -","- C152 H116 N4 O12 Si4 -","4","1","","Zhi-Yong Han; Dian-Feng Chen; Ya-Yi Wang; Rui Guo; Pu-Sheng Wang; Chao Wang; Liu-Zhu Gong","Hybrid Metal/Organo Relay Catalysis Enables Enynes To Be Latent Dienes for Asymmetric Diels-Alder Reaction","Journal of the American Chemical Society","2012","134","","6532","6535","10.1021/ja3007148","","","1.54184","CuKα","","0.0502","0.0439","","","0.1231","0.1312","","","","","","1.021","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117830","11.3523","0.0001","17.745","0.0001","22.1942","0.0001","90","","90","","90","","4470.95","0.05","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(I)2Si(B(L))(N(SiMe3)(2,6-C6H3iPr2))","","- C41 H62 B I2 N3 Si2 -","- C41 H62 B I2 N3 Si2 -","- C164 H248 B4 I8 N12 Si8 -","4","1","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","0.71073","MoKα","","0.0342","0.029","","0.0349","0.0292","0.0281","","","","","","1.0162","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117831","12.7468","0.0003","20.3216","0.0005","19.4027","0.0005","90","","94.8071","0.0011","90","","5008.3","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Si{B(NDippCH)2}{N(Dipp)SiMe3}","","- C52 H72 B2 N4 Sn -","- C52 H72 B2 N4 Sn -","- C208 H288 B8 N16 Sn4 -","4","1","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","0.71073","MoKα","","0.1288","0.1026","","0.2675","0.246","0.2675","","","","","","0.957","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117832","11.3586","0.0001","14.4823","0.0002","28.0668","0.0004","85.2951","0.0005","83.7451","0.0005","76.5428","0.0005","4455.78","0.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","Sn{B(NDippCH)2}{N(SiMe3)Dipp}","","- C41 H62 B N3 Si Sn -","- C41 H62 B N3 Si Sn -","- C164 H248 B4 N12 Si4 Sn4 -","4","2","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","0.71073","MoKα","","0.0696","0.0451","","0.122","0.1098","0.122","","","","","","0.9236","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117833","12.3688","0.0005","12.5625","0.0005","19.8714","0.0007","99.87","0.003","103.835","0.003","100.901","0.003","2867","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Ge{B(NDippCH)2}{N(SiMe3)Dipp*}","","- C64.5 H78 B Ge N3 Si -","- C64.5 H78 B Ge N3 Si -","- C129 H156 B2 Ge2 N6 Si2 -","2","1","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","0.71073","MoKα","","0.0574","0.0415","","","0.0887","0.0957","","","","","","1.019","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117834","10.54535","0.00004","21.63077","0.00008","18.17499","0.00006","90","","93.0425","0.0003","90","","4139.94","0.03","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Si{B(NDippCH)2}{N(Dipp)SiMe3}","","- C41 H62 B N3 Si2 -","- C41 H62 B N3 Si2 -","- C164 H248 B4 N12 Si8 -","4","1","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","1.54184","CuKα","","0.0345","0.0334","","0.0345","0.0343","0.0342","","","","","","1.115","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117835","20.38147","0.00015","13.94342","0.0001","28.0053","0.0002","90","","92.4363","0.0007","90","","7951.56","0.1","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(H)SiC(Me)2(CHMe2)C6H3B(NDippCH){N(Dipp)SiMe3}","","- C41 H62 B N3 Si2 -","- C41 H62 B N3 Si2 -","- C328 H496 B8 N24 Si16 -","8","1","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","1.54184","CuKα","","0.0437","0.0401","","0.0249","0.0241","0.0239","","","","","","1.0639","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117836","11.0507","0.0002","21.7304","0.0004","17.4807","0.0003","90","","100.077","0.0008","90","","4132.99","0.13","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","H2Si{B(NDippCH)2}{N(Dipp)SiMe3}","","- C41 H64 B N3 Si2 -","- C41 H64 B N3 Si2 -","- C164 H256 B4 N12 Si8 -","4","1","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","0.71073","MoKα","","0.0989","0.0528","","0.0713","0.0457","0.042","","","","","","1.1274","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117837","10.738","0.002","27.404","0.006","15.095","0.003","90","","104.04","0.03","90","","4309.2","1.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(Si{N(Dipp)SiMe3}Br)2C10H10]","","- C40 H60 Br2 N2 Si4 -","- C40 H60 Br2 N2 Si4 -","- C160 H240 Br8 N8 Si16 -","4","1","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","0.71073","MoKα","","0.1439","0.0603","","0.1031","0.0597","0.0597","","","","","","1.114","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117838","13.3874","0.0007","18.7441","0.001","15.9982","0.0008","90","","95.207","0.001","90","","3997.9","0.4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 S2 Si -","- C48 H50 S2 Si -","- C192 H200 S8 Si4 -","4","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Heikki M. Tuononen; Philip P. Power","Isolation of a Stable, Acyclic, Two-Coordinate Silylene","Journal of the American Chemical Society","2012","134","","6504","6507","10.1021/ja301091v","","","0.71073","MoKα","","0.0438","0.0357","","","0.0937","0.0991","","","","","","1.052","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117839","16.0546","0.0008","14.7263","0.0008","18.1452","0.0009","90","","91.723","0.001","90","","4288","0.4","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 Br2 S2 Si -","- C48 H50 Br2 S2 Si -","- C192 H200 Br8 S8 Si4 -","4","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Heikki M. Tuononen; Philip P. Power","Isolation of a Stable, Acyclic, Two-Coordinate Silylene","Journal of the American Chemical Society","2012","134","","6504","6507","10.1021/ja301091v","","","0.71073","MoKα","","0.0402","0.0277","","","0.0611","0.0654","","","","","","1.016","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117840","17.1406","0.0007","11.7612","0.0005","40.5573","0.0016","90","","95.205","0.001","90","","8142.4","0.6","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 S2 Si -","- C48 H52 S2 Si -","- C384 H416 S16 Si8 -","8","2","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Heikki M. Tuononen; Philip P. Power","Isolation of a Stable, Acyclic, Two-Coordinate Silylene","Journal of the American Chemical Society","2012","134","","6504","6507","10.1021/ja301091v","","","0.71073","MoKα","","0.0564","0.039","","","0.0925","0.1017","","","","","","1.01","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117841","10.5462","0.0007","10.8009","0.0007","27.5951","0.0017","82.413","0.002","83.268","0.003","89.393","0.003","3094.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H84 Au4 Cu4 O10 -","- C60 H84 Au4 Cu4 O10 -","- C120 H168 Au8 Cu8 O20 -","2","1","","Igor O. Koshevoy; Yuh-Chia Chang; Antti J. Karttunen; Matti Haukka; Tapani Pakkanen; Pi-Tai Chou","Modulation of Metallophilic Bonds: Solvent-Induced Isomerization and Luminescence Vapochromism of a Polymorphic Au-Cu Cluster","Journal of the American Chemical Society","2012","134","","6564","6567","10.1021/ja3018994","","","0.71073","MoKα","","0.0815","0.0672","","","0.166","0.1766","","","","","","1.056","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117842","15.3186","0.0012","20.945","0.0017","21.9478","0.0016","98.87","0.004","110.22","0.004","90.562","0.004","6513.8","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C133 H168 Au8 Cu8 O16 -","- C133 H168 Au8 Cu8 O16 -","- C266 H336 Au16 Cu16 O32 -","2","1","","Igor O. Koshevoy; Yuh-Chia Chang; Antti J. Karttunen; Matti Haukka; Tapani Pakkanen; Pi-Tai Chou","Modulation of Metallophilic Bonds: Solvent-Induced Isomerization and Luminescence Vapochromism of a Polymorphic Au-Cu Cluster","Journal of the American Chemical Society","2012","134","","6564","6567","10.1021/ja3018994","","","0.71073","MoKα","","0.1084","0.0852","","","0.1901","0.201","","","","","","1.154","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117843","14.2646","0.0013","14.3128","0.0007","16.4962","0.0008","113.804","0.002","103.21","0.003","103.317","0.003","2796.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H72 Au4 Cu4 O8 -","- C56 H72 Au4 Cu4 O8 -","- C112 H144 Au8 Cu8 O16 -","2","1","","Igor O. Koshevoy; Yuh-Chia Chang; Antti J. Karttunen; Matti Haukka; Tapani Pakkanen; Pi-Tai Chou","Modulation of Metallophilic Bonds: Solvent-Induced Isomerization and Luminescence Vapochromism of a Polymorphic Au-Cu Cluster","Journal of the American Chemical Society","2012","134","","6564","6567","10.1021/ja3018994","","","0.71073","MoKα","","0.0917","0.0568","","","0.1067","0.1243","","","","","","1.042","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117844","11.7431","0.0009","13.7282","0.0012","18.132","0.0016","89.559","0.004","89.755","0.004","80.206","0.004","2880.4","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H62 B F10 O P3 Pt -","- C64 H62 B F10 O P3 Pt -","- C128 H124 B2 F20 O2 P6 Pt2 -","2","1","","Abderrahmane Amgoune; Sonia Ladeira; Karinne Miqueu; Didier Bourissou","Coordination of Phosphinoboranes R2PB(C6F5)2 to Platinum: An Alkene-Type Behavior","Journal of the American Chemical Society","2012","134","","6560","6563","10.1021/ja301929n","","","0.71073","MoKα","","0.0264","0.0224","","","0.0592","0.0625","","","","","","1.12","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117845","11.731","0.003","12.456","0.003","19.203","0.006","73.402","0.007","75.16","0.017","70.012","0.007","2487.6","1.2","193","2","193","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C56 H48 B F10 P3 Pt -","- C56 H48 B F10 P3 Pt -","- C112 H96 B2 F20 P6 Pt2 -","2","1","","Abderrahmane Amgoune; Sonia Ladeira; Karinne Miqueu; Didier Bourissou","Coordination of Phosphinoboranes R2PB(C6F5)2 to Platinum: An Alkene-Type Behavior","Journal of the American Chemical Society","2012","134","","6560","6563","10.1021/ja301929n","","x-ray","0.71073","MoKα","","0.0192","0.0169","","","0.0404","0.0415","","","","","","1.025","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117846","6.0936","0.0001","20.5265","0.0004","12.0548","0.0002","90","","90.614","0.001","90","","1507.73","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 N3 O5 -","- C15 H21 N3 O5 -","- C60 H84 N12 O20 -","4","1","","Ana de Bettencourt-Dias; Patrick S. Barber; Sebastian Bauer","A Water-Soluble Pybox Derivative and Its Highly Luminescent Lanthanide Ion Complexes","Journal of the American Chemical Society","2012","134","","6987","6994","10.1021/ja209572m","","","0.71073","MoKα","","0.0587","0.044","","","0.1111","0.121","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117847","26.4509","0.0011","30.4696","0.0013","34.6741","0.0015","90","","90","","90","","27946","2","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C168 H192 Cl8 N16 O8 Zn8 -","- C168 H192 Cl8 N16 O8 Zn8 -","- C672 H768 Cl32 N64 O32 Zn32 -","4","1","","Weimin Xuan; Mengni Zhang; Yan Liu; Zhijie Chen; Yong Cui","A Chiral Quadruple-Stranded Helicate Cage for Enantioselective Recognition and Separation","Journal of the American Chemical Society","2012","134","","6904","6907","10.1021/ja212132r","","","1.54178","CuKα","","0.1658","0.0882","","","0.2135","0.2352","","","","","","1.064","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117848","11.9695","0.0002","12.97","0.0002","15.5683","0.0003","74.963","0.001","82.105","0.001","67.243","0.001","2150.57","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H112 N8 O6 Zn2 -","- C92 H110 N8 O6 Zn2 -","- C92 H110 N8 O6 Zn2 -","1","0.5","","Weimin Xuan; Mengni Zhang; Yan Liu; Zhijie Chen; Yong Cui","A Chiral Quadruple-Stranded Helicate Cage for Enantioselective Recognition and Separation","Journal of the American Chemical Society","2012","134","","6904","6907","10.1021/ja212132r","","","1.54178","CuKα","","0.061","0.0592","","","0.1678","0.1698","","","","","","1.062","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117849","19.0103","0.0007","26.1002","0.0014","23.7311","0.0011","90","","92.682","0.003","90","","11761.8","0.9","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C188 H232 Cl8 N16 O13 Zn8 -","- C188 H232 Cl8 N16 O13 Zn8 -","- C376 H464 Cl16 N32 O26 Zn16 -","2","1","","Weimin Xuan; Mengni Zhang; Yan Liu; Zhijie Chen; Yong Cui","A Chiral Quadruple-Stranded Helicate Cage for Enantioselective Recognition and Separation","Journal of the American Chemical Society","2012","134","","6904","6907","10.1021/ja212132r","","","1.54178","CuKα","","0.0944","0.0889","","","0.2529","0.262","","","","","","1.091","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117850","21.698","0.003","21.698","0.003","6.869","0.0014","90","","90","","120","","2800.7","0.8","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H14 N O4 Zn -","- C12 H14 N O4 Zn -","- C72 H84 N6 O24 Zn6 -","6","1","","Thomas M. McDonald; Woo Ram Lee; Jarad A. Mason; Brian M. Wiers; Chang Seop Hong; Jeffrey R. Long","Capture of Carbon Dioxide from Air and Flue Gas in the Alkylamine-Appended Metal-Organic Framework mmen-Mg2(dobpdc)","Journal of the American Chemical Society","2012","134","","7056","7065","10.1021/ja300034j","","","0.85","synchrotron","","0.0501","0.0466","","","0.1204","0.1223","","","","","","1.073","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117851","12.832","0.003","16.927","0.004","18.037","0.004","110.808","0.003","95.034","0.003","94.507","0.0018","3622.7","1.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H90 Cl Mn2 N9 O15 -","- C74 H86 Cl Mn2 N9 O15 -","- C148 H172 Cl2 Mn4 N18 O30 -","2","1","","Wei-Xiong Zhang; Takuya Shiga; Hitoshi Miyasaka; Masahiro Yamashita","New Approach for Designing Single-Chain Magnets: Organization of Chains via Hydrogen Bonding between Nucleobases","Journal of the American Chemical Society","2012","134","","6908","6911","10.1021/ja300152k","","","0.71075","MoKα","","0.0728","0.0525","","","0.1364","0.1573","","","","","","0.998","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117852","12.7468","0.0002","15.0237","0.0002","18.0997","0.0001","65.771","0.006","81.564","0.008","78.308","0.008","3087.41","0.18","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H65 Cl2 Mn2 N9 O15 -","- C65 H65 Cl2 Mn2 N9 O15 -","- C130 H130 Cl4 Mn4 N18 O30 -","2","1","","Wei-Xiong Zhang; Takuya Shiga; Hitoshi Miyasaka; Masahiro Yamashita","New Approach for Designing Single-Chain Magnets: Organization of Chains via Hydrogen Bonding between Nucleobases","Journal of the American Chemical Society","2012","134","","6908","6911","10.1021/ja300152k","","","0.71075","MoKα","","0.1266","0.1008","","","0.2732","0.283","","","","","","0.999","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117853","8.694","0.002","12.552","0.003","17.328","0.004","90","","90","","90","","1891","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Br N2 O2 -","- C23 H17 Br N2 O2 -","- C92 H68 Br4 N8 O8 -","4","1","","Jia-Rong Chen; Wan-Rong Dong; Mathieu Candy; Fang-Fang Pan; Manuel Jörres; Carsten Bolm","Enantioselective Synthesis of Dihydropyrazoles by Formal [4+1] Cycloaddition of in Situ-Derived Azoalkenes and Sulfur Ylides","Journal of the American Chemical Society","2012","134","","6924","6927","10.1021/ja301196x","","","0.71073","MoKα","","0.0333","0.029","","","0.0635","0.0652","","","","","","1.05","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117854","12.361","0.003","20.068","0.004","24.351","0.005","90","","90","","90","","6041","2","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Ar'Ga(C7H8)GaAr'","","","- C71 H92 Ga2 O -","- C71 H92 Ga2 O -","- C284 H368 Ga8 O4 -","4","1","","Christine A. Caputo; Jing-Dong Guo; Shigeru Nagase; James C. Fettinger; Philip P. Power","Reversible and Irreversible Higher-Order Cycloaddition Reactions of Polyolefins with a Multiple-Bonded Heavier Group 13 Alkene Analogue: Contrasting the Behavior of Systems with π-π, π-π*, and π-n+ Frontier Molecular Orbital Symmetry","Journal of the American Chemical Society","2012","134","","7155","7164","10.1021/ja301247h","","","0.71073","MoKα","","0.0257","0.0245","","","0.0581","0.0588","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117855","17.7733","0.0012","15.1613","0.0012","21.9265","0.0015","90","","96.57","0.001","90","","5869.7","0.7","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Ar'Ga(C8H8)GaAr'","","","- C68 H82 Ga2 -","- C68 H82 Ga2 -","- C272 H328 Ga8 -","4","1","","Christine A. Caputo; Jing-Dong Guo; Shigeru Nagase; James C. Fettinger; Philip P. Power","Reversible and Irreversible Higher-Order Cycloaddition Reactions of Polyolefins with a Multiple-Bonded Heavier Group 13 Alkene Analogue: Contrasting the Behavior of Systems with π-π, π-π*, and π-n+ Frontier Molecular Orbital Symmetry","Journal of the American Chemical Society","2012","134","","7155","7164","10.1021/ja301247h","","","0.71073","MoKα","","0.0356","0.0286","","","0.0708","0.0739","","","","","","1.023","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117856","12.247","0.003","13.46","0.005","19.666","0.006","92.672","0.016","99.319","0.016","110.348","0.015","2980.8","1.6","90","2","90","2","","","","","","","","3","P -1","-P 1","2","Ar'Ga(C5H5)GaAr'","","","- C70 H92 Ga2 -","- C65 H80 Ga2 -","- C130 H160 Ga4 -","2","1","","Christine A. Caputo; Jing-Dong Guo; Shigeru Nagase; James C. Fettinger; Philip P. Power","Reversible and Irreversible Higher-Order Cycloaddition Reactions of Polyolefins with a Multiple-Bonded Heavier Group 13 Alkene Analogue: Contrasting the Behavior of Systems with π-π, π-π*, and π-n+ Frontier Molecular Orbital Symmetry","Journal of the American Chemical Society","2012","134","","7155","7164","10.1021/ja301247h","","","0.71073","MoKα","","0.0425","0.0371","","","0.0968","0.0992","","","","","","1.073","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117857","12.785","0.0006","14.0628","0.0007","19.8833","0.0009","94.142","0.001","101.241","0.001","97.051","0.001","3462.8","0.3","90","2","90","2","","","","","","","","3","P -1","-P 1","2","Ar'Ga(C7H8)GaAr'","","","- C79 H108 Ga2 -","- C73 H96 Ga2 -","- C146 H192 Ga4 -","2","1","","Christine A. Caputo; Jing-Dong Guo; Shigeru Nagase; James C. Fettinger; Philip P. Power","Reversible and Irreversible Higher-Order Cycloaddition Reactions of Polyolefins with a Multiple-Bonded Heavier Group 13 Alkene Analogue: Contrasting the Behavior of Systems with π-π, π-π*, and π-n+ Frontier Molecular Orbital Symmetry","Journal of the American Chemical Society","2012","134","","7155","7164","10.1021/ja301247h","","","0.71073","MoKα","","0.0352","0.032","","","0.1008","0.1037","","","","","","1.081","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117858","18.6293","0.0015","10.7594","0.0009","14.4721","0.0013","90","","108.603","0.003","90","","2749.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl2 N6 O9 Zn -","- C22 H24 Cl2 N6 O9 Zn -","- C88 H96 Cl8 N24 O36 Zn4 -","4","1","","Lei You; Gennaro Pescitelli; Eric V. Anslyn; Lorenzo Di Bari","An Exciton-Coupled Circular Dichroism Protocol for the Determination of Identity, Chirality, and Enantiomeric Excess of Chiral Secondary Alcohols","Journal of the American Chemical Society","2012","134","","7117","7125","10.1021/ja301252h","","","0.71069","MoKα","","0.0332","0.0303","","","0.073","0.0744","","","","","","1.087","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117859","32.5889","0.0019","8.4679","0.0005","22.0407","0.0014","90","","96.924","0.001","90","","6038","0.6","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H38 F3 Ir N O3 P S -","- C30 H38 F3 Ir N O3 P S -","- C240 H304 F24 Ir8 N8 O24 P8 S8 -","8","1","","Jesús Campos; Joaquín López-Serrano; Eleuterio Álvarez; Ernesto Carmona","Cationic Ir(III) Alkylidenes Are Key Intermediates in C-H Bond Activation and C-C Bond-Forming Reactions","Journal of the American Chemical Society","2012","134","","7165","7175","10.1021/ja301759m","","","0.71073","MoKα","","0.0544","0.0405","","","0.1005","0.1071","","","","","","1.031","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117860","11.8563","0.0011","16.3032","0.0015","12.3373","0.001","90","","99.002","0.002","90","","2355.4","0.4","243","2","243","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Ir P -","- C27 H34 Ir P -","- C108 H136 Ir4 P4 -","4","1","","Jesús Campos; Joaquín López-Serrano; Eleuterio Álvarez; Ernesto Carmona","Cationic Ir(III) Alkylidenes Are Key Intermediates in C-H Bond Activation and C-C Bond-Forming Reactions","Journal of the American Chemical Society","2012","134","","7165","7175","10.1021/ja301759m","","","0.71073","MoKα","","0.0543","0.038","","","0.0976","0.1055","","","","","","1.059","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117861","12.5935","0.0004","13.3827","0.0004","18.9554","0.0006","90","","106.628","0.001","90","","3061.06","0.17","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H56 B F24 Ir P2 -","- C62 H56 B F24 Ir P2 -","- C124 H112 B2 F48 Ir2 P4 -","2","1","","Jesús Campos; Joaquín López-Serrano; Eleuterio Álvarez; Ernesto Carmona","Cationic Ir(III) Alkylidenes Are Key Intermediates in C-H Bond Activation and C-C Bond-Forming Reactions","Journal of the American Chemical Society","2012","134","","7165","7175","10.1021/ja301759m","","","0.71073","MoKα","","0.0204","0.0195","","","0.0498","0.0502","","","","","","1.038","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117862","17.2137","0.0015","17.9944","0.0016","19.2836","0.0018","87.003","0.004","74.514","0.003","88.167","0.003","5747.4","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H45 B F24 Ir P -","- C59 H45 B F24 Ir P -","- C236 H180 B4 F96 Ir4 P4 -","4","2","","Jesús Campos; Joaquín López-Serrano; Eleuterio Álvarez; Ernesto Carmona","Cationic Ir(III) Alkylidenes Are Key Intermediates in C-H Bond Activation and C-C Bond-Forming Reactions","Journal of the American Chemical Society","2012","134","","7165","7175","10.1021/ja301759m","","","0.71073","MoKα","","0.0829","0.0696","","","0.144","0.1659","","","","","","1.063","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117863","13.858","0.005","14.692","0.005","22.582","0.007","90","","90","","90","","4598","3","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H63 N O Si2 -","- C50 H63 N O Si2 -","- C200 H252 N4 O4 Si8 -","4","1","","Daisuke Uraguchi; Kyohei Koshimoto; Takashi Ooi","Ionic Nucleophilic Catalysis of Chiral Ammonium Betaines for Highly Stereoselective Aldol Reaction from Oxindole-Derived Vinylic Carbonates","Journal of the American Chemical Society","2012","134","","6972","6975","10.1021/ja3022939","","","0.71073","MoKα","","0.1559","0.0939","","","0.2496","0.2888","","","","","","1.014","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117864","6.1197","0.0019","19.421","0.006","20.604","0.006","90","","90","","90","","2448.8","1.3","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 Br Cl N O2 -","- C29 H23 Br Cl N O2 -","- C116 H92 Br4 Cl4 N4 O8 -","4","1","","Daisuke Uraguchi; Kyohei Koshimoto; Takashi Ooi","Ionic Nucleophilic Catalysis of Chiral Ammonium Betaines for Highly Stereoselective Aldol Reaction from Oxindole-Derived Vinylic Carbonates","Journal of the American Chemical Society","2012","134","","6972","6975","10.1021/ja3022939","","","0.71073","MoKα","","0.0645","0.0438","","","0.0915","0.1106","","","","","","1.019","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117865","12.8702","0.001","10.2362","0.0009","15.4223","0.0014","90","","112.269","0.006","90","","1880.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 F7 N O3 -","- C18 H18 F7 N O3 -","- C72 H72 F28 N4 O12 -","4","2","","Aaron T. Herrmann; Lindsay L. Smith; Armen Zakarian","A Simple Method for Asymmetric Trifluoromethylation of N-Acyl Oxazolidinones via Ru-Catalyzed Radical Addition to Zirconium Enolates","Journal of the American Chemical Society","2012","134","","6976","6979","10.1021/ja302552e","","","0.71073","MoKα","","0.0371","0.0323","","","0.0583","0.0592","","","","","","1.589","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117866","8.0419","0.0015","13.342","0.002","18.841","0.004","90","","90","","90","","2021.5","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H Cl4 N O3 Zr -","- C15 H19 Cl4 N O3 Zr -","- C60 H76 Cl16 N4 O12 Zr4 -","4","1","","Aaron T. Herrmann; Lindsay L. Smith; Armen Zakarian","A Simple Method for Asymmetric Trifluoromethylation of N-Acyl Oxazolidinones via Ru-Catalyzed Radical Addition to Zirconium Enolates","Journal of the American Chemical Society","2012","134","","6976","6979","10.1021/ja302552e","","","0.71073","MoKα","","0.06","0.0395","","","0.0718","0.078","","","","","","0.998","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117867","38.741","0.0002","38.741","0.0002","38.741","0.0002","90","","90","","90","","58145","0.5","100","2","100","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C276 Ir6 N24 O32 Zr6 -","- C276 Ir6 N24 O32 Zr6 -","- C1104 Ir24 N96 O128 Zr24 -","4","0.0833333","","Cheng Wang; Kathryn E. deKrafft; Wenbin Lin","Pt Nanoparticles @ Photoactive Metal-Organic Frameworks: Efficient Hydrogen Evolution via Synergistic Photoexcitation and Electron Injection","Journal of the American Chemical Society","2012","134","","7211","7214","10.1021/ja300539p","","","1.54178","CuKα","","0.2796","0.2135","","","0.3675","0.3909","","","","","","2.168","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117868","9.3778","0.0007","10.6469","0.0009","11.5491","0.0009","87.747","0.002","79.414","0.002","74.812","0.002","1093.85","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N O4 S2 -","- C24 H25 N O4 S2 -","- C48 H50 N2 O8 S4 -","2","1","","José A. Souto; Debora Zian; Kilian Muñiz","Iodine(III)-Mediated Intermolecular Allylic Amination under Metal-Free Conditions","Journal of the American Chemical Society","2012","134","","7242","7245","10.1021/ja3013193","","","0.71073","MoKα","","0.0667","0.0594","","","0.1796","0.1877","","","","","","1.129","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117869","8.297","","8.816","","9.846","","68.65","","79.9","","71","","632.907","","100","2","100","2","","","","","","","","7","P -1","-P 1","2","xwf41a","","","- C7 H17 Cl2 N3 O2 Re0.5 Zn0.5 -","- C7 H17 Cl2 N3 O2 Re0.5 Zn0.5 -","- C14 H34 Cl4 N6 O4 Re Zn -","2","1","","Xiaowen Feng; Junjie Liu; T. David Harris; Stephen Hill; Jeffrey R. Long","Slow Magnetic Relaxation Induced by a Large Transverse Zero-Field Splitting in a MnIIReIV(CN)2 Single-Chain Magnet","Journal of the American Chemical Society","2012","134","","7521","7529","10.1021/ja301338d","","","0.71073","MoKα","","0.0474","0.0449","","","0.0954","0.0973","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117870","10.778","","12.316","","14.407","","90","","107.01","","90","","1828.75","","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","xwf22a","","","- C13 H26 Cl2 Fe0.5 N3 O2 Re0.5 -","- C13 H26 Cl2 Fe0.5 N3 O2 Re0.5 -","- C52 H104 Cl8 Fe2 N12 O8 Re2 -","4","1","","Xiaowen Feng; Junjie Liu; T. David Harris; Stephen Hill; Jeffrey R. Long","Slow Magnetic Relaxation Induced by a Large Transverse Zero-Field Splitting in a MnIIReIV(CN)2 Single-Chain Magnet","Journal of the American Chemical Society","2012","134","","7521","7529","10.1021/ja301338d","","","0.71073","MoKα","","0.0644","0.0531","","","0.134","0.1425","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117871","13.743","0.0015","21.942","0.002","12.8569","0.0014","90","","107.514","0.002","90","","3697.3","0.7","103","2","103","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","xwfReMn2","","","- C68 H50 Cl4 F12 Mn2 N16 P2 Re -","- C68 H50 Cl4 F12 Mn2 N16 P2 Re -","- C136 H100 Cl8 F24 Mn4 N32 P4 Re2 -","2","0.5","","Xiaowen Feng; Junjie Liu; T. David Harris; Stephen Hill; Jeffrey R. Long","Slow Magnetic Relaxation Induced by a Large Transverse Zero-Field Splitting in a MnIIReIV(CN)2 Single-Chain Magnet","Journal of the American Chemical Society","2012","134","","7521","7529","10.1021/ja301338d","","","0.71073","MoKα","","0.0573","0.0366","","","0.0861","0.093","","","","","","0.999","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117872","32.2809","0.0014","7.2588","0.0003","16.0662","0.0007","90","","119.041","0.002","90","","3291.3","0.3","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 N O6 S -","- C15 H19 N O6 S -","- C120 H152 N8 O48 S8 -","8","1","","Thi My Uyen Ton; Ciputra Tejo; Diane Ling Ying Tiong; Philip Wai Hong Chan","Copper(II) Triflate Catalyzed Amination and Aziridination of 2-Alkyl Substituted 1,3-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","7344","7350","10.1021/ja301415k","","","0.71073","MoKα","","0.0536","0.0387","","","0.1055","0.1206","","","","","","1.068","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117873","11.2244","0.0007","18.4977","0.001","8.8492","0.0006","90","","90.851","0.002","90","","1837.1","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O6 S -","- C17 H23 N O6 S -","- C68 H92 N4 O24 S4 -","4","1","","Thi My Uyen Ton; Ciputra Tejo; Diane Ling Ying Tiong; Philip Wai Hong Chan","Copper(II) Triflate Catalyzed Amination and Aziridination of 2-Alkyl Substituted 1,3-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","7344","7350","10.1021/ja301415k","","","0.71073","MoKα","","0.042","0.0353","","","0.0901","0.0952","","","","","","1.02","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117874","6.7873","0.0017","7.4504","0.0018","24.01","0.006","90","","90","","90","","1214.1","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Cl2 N -","- C11 H15 Cl2 N -","- C44 H60 Cl8 N4 -","4","1","","Julien Lefranc; Anne M. Fournier; Gaëlle Mingat; Simon Herbert; Tommaso Marcelli; Jonathan Clayden","Intramolecular Vinylation of Secondary and Tertiary Organolithiums","Journal of the American Chemical Society","2012","134","","7286","7289","10.1021/ja301591m","","","0.71073","MoKα","","0.1401","0.0868","","","0.0879","0.1014","","","","","","0.961","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117875","8.3486","0.0007","13.2981","0.0011","21.5227","0.0017","90","","95.245","0.002","90","","2379.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H15 Cl3 O2 S2 -","- C29 H15 Cl3 O2 S2 -","- C116 H60 Cl12 O8 S8 -","4","1","","Brett VanVeller; Derek J. Schipper; Timothy M. Swager","Polycyclic Aromatic Triptycenes: Oxygen Substitution Cyclization Strategies","Journal of the American Chemical Society","2012","134","","7282","7285","10.1021/ja3018253","","","0.71073","MoKα","","0.0335","0.0297","","","0.0754","0.0781","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117876","16.4875","0.0005","16.8851","0.0005","17.0029","0.0004","90","","90","","90","","4733.5","0.2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C34 H22 O4 -","- C34 H22 O4 -","- C272 H176 O32 -","8","1","","Brett VanVeller; Derek J. Schipper; Timothy M. Swager","Polycyclic Aromatic Triptycenes: Oxygen Substitution Cyclization Strategies","Journal of the American Chemical Society","2012","134","","7282","7285","10.1021/ja3018253","","","1.54178","CuKα","","0.0899","0.0734","","","0.2573","0.2715","","","","","","1.098","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117877","9.0926","0.0002","11.5161","0.0003","12.053","0.0002","115.207","0.001","112.121","0.001","93.076","0.001","1022.78","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H18 O2 -","- C32 H18 O2 -","- C64 H36 O4 -","2","1","","Brett VanVeller; Derek J. Schipper; Timothy M. Swager","Polycyclic Aromatic Triptycenes: Oxygen Substitution Cyclization Strategies","Journal of the American Chemical Society","2012","134","","7282","7285","10.1021/ja3018253","","","1.54178","CuKα","","0.0389","0.0366","","","0.0942","0.0965","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117878","10.0076","0.0006","11.5702","0.0006","12.292","0.001","77.346","0.003","83.505","0.003","71.613","0.005","1316.33","0.15","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C72 H62 O6 -","- C72 H62 O6 -","- C72 H62 O6 -","1","0.5","","Anat Molad; Israel Goldberg; Arkadi Vigalok","Tubular Conjugated Polymer for Chemosensory Applications","Journal of the American Chemical Society","2012","134","","7290","7292","10.1021/ja301918f","","","0.71073","MoKα","","0.1406","0.0879","","","0.1599","0.1818","","","","","","1.103","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117879","10.3343","0.0005","19.1546","0.0009","16.1851","0.0008","90","","107.652","0.003","90","","3053","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","car01","car01","","- C63 H96 Fe2 N10 S2 -","- C63 H96 Fe2 N10 S2 -","- C126 H192 Fe4 N20 S4 -","2","0.5","","Caroline T. Saouma; Werner Kaminsky; James M. Mayer","Protonation and Concerted Proton-Electron Transfer Reactivity of a Bis-Benzimidazolate Ligated [2Fe-2S] Model for Rieske Clusters","Journal of the American Chemical Society","2012","134","","7293","7296","10.1021/ja3019324","","","0.71073","MoKα","","0.0912","0.0541","","","0.1307","0.1558","","","","","","1.063","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117880","27.303","0.009","34.268","0.009","18.17","0.005","90","","98.32","0.015","90","","16821","8","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","car02b","car02b","","- C568 H912 Fe16 N104 O8 S16 -","- C568 H912 Fe16 N104 O8 S16 -","- C568 H912 Fe16 N104 O8 S16 -","1","0.125","","Caroline T. Saouma; Werner Kaminsky; James M. Mayer","Protonation and Concerted Proton-Electron Transfer Reactivity of a Bis-Benzimidazolate Ligated [2Fe-2S] Model for Rieske Clusters","Journal of the American Chemical Society","2012","134","","7293","7296","10.1021/ja3019324","","","0.71073","MoKα","","0.0944","0.0621","","","0.1607","0.2059","","","","","","1.11","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117881","9.6582","0.0004","14.7762","0.0007","9.7818","0.0004","90","","92.958","0.002","90","","1394.12","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H13 Cl4 N3 W -","- C7 H13 Cl4 N3 W -","- C28 H52 Cl16 N12 W4 -","4","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0334","0.021","","","0.0323","0.0335","","","","","","1.462","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117882","10.9765","0.0004","14.9892","0.0006","15.2682","0.0006","90","","110.395","0.002","90","","2354.59","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl3 N2 O2 Ta -","- C22 H24 Cl3 N2 O2 Ta -","- C88 H96 Cl12 N8 O8 Ta4 -","4","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0426","0.0253","","","0.0359","0.0368","","","","","","1.892","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117883","7.289","0.0003","13.3859","0.0005","10.9809","0.0004","90","","90.292","0.001","90","","1071.39","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H16 Br2 Cl3 N2 O2 Ta -","- C16 H16 Br2 Cl3 N2 O2 Ta -","- C32 H32 Br4 Cl6 N4 O4 Ta2 -","2","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.021","0.0196","","","0.038","0.0384","","","","","","1.455","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117884","13.4839","0.0006","10.2768","0.0004","14.8254","0.0007","90","","108.079","0.002","90","","1952.95","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl3 N2 O2 Ta -","- C16 H20 Cl3 N2 O2 Ta -","- C64 H80 Cl12 N8 O8 Ta4 -","4","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0513","0.0285","","","0.0362","0.038","","","","","","1.388","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117885","7.3415","0.0004","9.2663","0.0005","16.2634","0.0008","78.39","0.003","84.353","0.003","84.864","0.002","1075.72","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Cl3 N2 O2 Ta -","- C18 H24 Cl3 N2 O2 Ta -","- C36 H48 Cl6 N4 O4 Ta2 -","2","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0333","0.0237","","","0.0343","0.0354","","","","","","1.218","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117886","19.4748","0.0009","9.6654","0.0004","19.3262","0.0009","90","","93.727","0.002","90","","3630.1","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Cl3 N2 Nb O2 -","- C16 H18 Cl3 N2 Nb O2 -","- C128 H144 Cl24 N16 Nb8 O16 -","8","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0408","0.0263","","","0.0445","0.045","","","","","","2.165","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117887","7.3791","0.0004","8.925","0.0004","16.3801","0.0008","80.331","0.002","84.651","0.002","85.152","0.002","1056.2","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cl5 N2 Nb O2 -","- C16 H18 Cl5 N2 Nb O2 -","- C32 H36 Cl10 N4 Nb2 O4 -","2","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0242","0.0203","","","0.0515","0.0518","","","","","","2.169","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117888","8.8532","0.0004","26.636","0.0013","9.448","0.0005","90","","99.838","0.002","90","","2195.21","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Br2 Cl3 N2 Nb O2 -","- C16 H18 Br2 Cl3 N2 Nb O2 -","- C64 H72 Br8 Cl12 N8 Nb4 O8 -","4","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.043","0.0247","","","0.0401","0.0408","","","","","","1.445","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117889","10.9592","0.0004","14.1496","0.0005","12.5713","0.0004","90","","91.137","0.002","90","","1949.03","0.12","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C16 H20 Cl3 N2 Nb O2 -","- C16 H20 Cl3 N2 Nb O2 -","- C64 H80 Cl12 N8 Nb4 O8 -","4","2","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0353","0.029","","","0.0421","0.0427","","","","","","1.369","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117890","7.362","0.0004","9.247","0.0005","16.2248","0.001","78.177","0.003","85.22","0.003","84.498","0.003","1073.81","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Cl3 N2 Nb O2 -","- C18 H24 Cl3 N2 Nb O2 -","- C36 H48 Cl6 N4 Nb2 O4 -","2","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0306","0.0237","","","0.0556","0.056","","","","","","2.163","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117891","7.4401","0.0003","10.5793","0.0005","16.3555","0.0007","97.765","0.001","95.12","0.002","99.874","0.002","1248.3","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.5 H28 Cl3 N2 Nb O4 -","- C21.5 H28 Cl3 N2 Nb O4 -","- C43 H56 Cl6 N4 Nb2 O8 -","2","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0401","0.0332","","","0.0624","0.0633","","","","","","2.445","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117892","7.6003","0.0004","10.5217","0.0006","11.2752","0.0006","64.736","0.002","79.53","0.002","83.34","0.002","801.09","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H18 Cl3 N2 Nb O2 -","- C11 H18 Cl3 N2 Nb O2 -","- C22 H36 Cl6 N4 Nb2 O4 -","2","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0292","0.0223","","","0.0476","0.0483","","","","","","2.009","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117893","20.6913","0.0014","12.5611","0.0008","15.4117","0.001","90","","90.294","0.004","90","","4005.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Cl3 N2 Nb O2 -","- C6 H16 Cl3 N2 Nb O2 -","- C72 H192 Cl36 N24 Nb12 O24 -","12","3","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0514","0.0287","","","0.0408","0.0418","","","","","","1.516","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117894","6.8865","0.0003","12.1853","0.0005","18.5285","0.0008","90","","90","","90","","1554.8","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H20 Cl3 N2 Nb O2 -","- C9 H20 Cl3 N2 Nb O2 -","- C36 H80 Cl12 N8 Nb4 O8 -","4","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0427","0.0313","","","0.0417","0.0425","","","","","","1.31","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117895","11.2001","0.0003","7.35727","0.00017","24.4176","0.0005","90","","99.6203","0.0017","90","","1983.77","0.08","93.1","","93","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H24 Si -","- C26 H24 Si -","- C104 H96 Si4 -","4","2","","Shintani, Ryo; Otomo, Haruka; Ota, Kensuke; Hayashi, Tamio","Palladium-Catalyzed Asymmetric Synthesis of Silicon-Stereogenic Dibenzosiloles via Enantioselective C-H Bond Functionalization","Journal of the American Chemical Society","2012","134","17","7305","7308","10.1021/ja302278s","","","1.54187","CuKα","","","0.0491","","","","0.0725","","","","","","1.019","","","","has coordinates","219259","2020-10-21","18:00:00",""
"4117896","9.38743","0.00017","16.3753","0.0003","11.4505","0.0002","90","","100.116","0.001","90","","1732.83","0.05","93.1","","93","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H42 Cl2 Si2 -","- C40 H42 Cl2 Si2 -","- C80 H84 Cl4 Si4 -","2","1","","Shintani, Ryo; Otomo, Haruka; Ota, Kensuke; Hayashi, Tamio","Palladium-Catalyzed Asymmetric Synthesis of Silicon-Stereogenic Dibenzosiloles via Enantioselective C-H Bond Functionalization","Journal of the American Chemical Society","2012","134","17","7305","7308","10.1021/ja302278s","","","1.54187","CuKα","","","0.0492","","","","0.1305","","","","","","1.081","","","","has coordinates","219259","2020-10-21","18:00:00",""
"4117897","9.1401","0.0005","8.7933","0.0004","9.4025","0.0004","90","","91.943","0.002","90","","755.26","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 Cl O6 -","- C15 H15 Cl O6 -","- C30 H30 Cl2 O12 -","2","1","","Kimberly M. Steward; Emily C. Gentry; Jeffrey S. Johnson","Dynamic Kinetic Resolution of α-Keto Esters via Asymmetric Transfer Hydrogenation","Journal of the American Chemical Society","2012","134","","7329","7332","10.1021/ja3027136","","","1.54184","CuKα","","0.0256","0.0254","","","0.0608","0.0609","","","","","","1.061","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117898","6.4784","0.0003","10.9958","0.0004","14.0108","0.0005","88.3476","0.0014","88.2253","0.0014","79.8519","0.0014","981.7","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- Co F4 H14 O8 V -","- Co F4 H14 O8 V -","- Co4 F16 H56 O32 V4 -","4","2","","Martin D. Donakowski; Romain Gautier; Jeongho Yeon; Donald T. Moore; Juan C. Nino; P. Shiv Halasyamani; Kenneth R. Poeppelmeier","The Role of Polar, Lamdba (Λ)-Shaped Building Units in Noncentrosymmetric Inorganic Structures","Journal of the American Chemical Society","2012","134","","7679","7689","10.1021/ja210984k","","","0.71073","MoKα","","0.026","0.0219","","","0.0626","0.0637","","","","","","1.046","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117899","6.4359","0.0003","10.8948","0.0004","13.9323","0.0006","88.238","0.002","88.161","0.002","80.212","0.002","961.87","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- F4 H14 Ni O8 V -","- F4 H14 Ni O8 V -","- F16 H56 Ni4 O32 V4 -","4","2","","Martin D. Donakowski; Romain Gautier; Jeongho Yeon; Donald T. Moore; Juan C. Nino; P. Shiv Halasyamani; Kenneth R. Poeppelmeier","The Role of Polar, Lamdba (Λ)-Shaped Building Units in Noncentrosymmetric Inorganic Structures","Journal of the American Chemical Society","2012","134","","7679","7689","10.1021/ja210984k","","","0.71073","MoKα","","0.033","0.0231","","","0.0545","0.0567","","","","","","0.964","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117900","15.63155","0.00015","8.22032","0.00008","7.366","0.00007","90","","90","","90","","946.504","0.016","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- Cu F4 H14 O8 V -","- Cu F4 H14 O8 V -","- Cu4 F16 H56 O32 V4 -","4","1","","Martin D. Donakowski; Romain Gautier; Jeongho Yeon; Donald T. Moore; Juan C. Nino; P. Shiv Halasyamani; Kenneth R. Poeppelmeier","The Role of Polar, Lamdba (Λ)-Shaped Building Units in Noncentrosymmetric Inorganic Structures","Journal of the American Chemical Society","2012","134","","7679","7689","10.1021/ja210984k","","x-ray","0.71069","MoKα","","0.0124","0.012","","","0.0329","0.0339","","","","","","1.101","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117901","6.467","0.0002","10.9809","0.0003","13.985","0.0004","88.35","0.001","88.216","0.001","79.973","0.001","977.2","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- F4 H14 O8 V Zn -","- F4 H14 O8 V Zn -","- F16 H56 O32 V4 Zn4 -","4","2","","Martin D. Donakowski; Romain Gautier; Jeongho Yeon; Donald T. Moore; Juan C. Nino; P. Shiv Halasyamani; Kenneth R. Poeppelmeier","The Role of Polar, Lamdba (Λ)-Shaped Building Units in Noncentrosymmetric Inorganic Structures","Journal of the American Chemical Society","2012","134","","7679","7689","10.1021/ja210984k","","","0.71073","MoKα","","0.0335","0.0229","","","0.0474","0.0492","","","","","","0.949","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117902","4.6377","0.0003","8.0574","0.0006","15.4299","0.0012","90","","90","","90","","576.58","0.07","120","2","120","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H F2 K O4 -","- C4 H F2 K O4 -","- C16 H4 F8 K4 O16 -","4","0.5","","Charles L. Perrin; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold","Hydrogen-Bond Symmetry in Difluoromaleate Monoanion","Journal of the American Chemical Society","2012","134","","7766","7772","10.1021/ja2117848","","","1.54178","CuKα","","0.0478","0.0427","","","0.112","0.1143","","","","","","1.012","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117903","3.9089","0.000005","3.9089","","13.412281","0.000025","90","","90","","90","","204.933","0.0005","300","","300","","","","","","","","","3","I 4/m m m","-I 4 2","139","Potassium Nickel Selenide","Potassium Dinickel Diselenide","","- K Ni2 Se2 -","- K Ni2 Se2 -","- K2 Ni4 Se4 -","2","0.0625","","James R. Neilson; Tyrel M. McQueen","Bonding, Ion Mobility, and Rate-Limiting Steps in Deintercalation Reactions with ThCr2Si2-type KNi2Se2","Journal of the American Chemical Society","2012","134","","7750","7757","10.1021/ja212012k","","","0.41335","synchrotron","","","","","","","","","","1.71","","","","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117904","3.9061","0.0001","3.9061","","13.4278","0.0003","90","","90","","90","","204.876","0.007","300","","300","","","","","","","","","3","I 4/m m m","-I 4 2","139","Potassium Nickel Selenide","Potassium Dinickel Diselenide","","- K0.95 Ni2 Se2 -","- K0.955 Ni1.999 Se2 -","- K1.91 Ni3.998 Se4 -","2","0.0625","","James R. Neilson; Tyrel M. McQueen","Bonding, Ion Mobility, and Rate-Limiting Steps in Deintercalation Reactions with ThCr2Si2-type KNi2Se2","Journal of the American Chemical Society","2012","134","","7750","7757","10.1021/ja212012k","","","0.2127","synchrotron","","","","","","","","","","6.7","","","","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117905","3.9018","0.0001","3.9018","","13.469","0.001","90","","90","","90","","205.053","0.016","300","","300","","","","","","","","","3","I 4/m m m","-I 4 2","139","Potassium Nickel Selenide","Potassium Dinickel Diselenide","","- K0.9 Ni2 Se2 -","- K0.913 Ni2 Se2 -","- K1.826 Ni4 Se4 -","2","0.0625","","James R. Neilson; Tyrel M. McQueen","Bonding, Ion Mobility, and Rate-Limiting Steps in Deintercalation Reactions with ThCr2Si2-type KNi2Se2","Journal of the American Chemical Society","2012","134","","7750","7757","10.1021/ja212012k","","","0.2127","synchrotron","","","","","","","","","","7.94","","","","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117906","3.8922","0.0002","3.8922","","13.523","0.001","90","","90","","90","","204.863","0.018","300","","300","","","","","","","","","3","I 4/m m m","-I 4 2","139","Potassium Nickel Selenide","Potassium Dinickel Diselenide","","- K0.8 Ni2 Se2 -","- K0.802 Ni2.001 Se2 -","- K1.604 Ni4.002 Se4 -","2","0.0625","","James R. Neilson; Tyrel M. McQueen","Bonding, Ion Mobility, and Rate-Limiting Steps in Deintercalation Reactions with ThCr2Si2-type KNi2Se2","Journal of the American Chemical Society","2012","134","","7750","7757","10.1021/ja212012k","","","0.2127","synchrotron","","","","","","","","","","7.48","","","","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117907","9.955","0.002","10.647","0.002","11.809","0.002","99.44","0.03","102.31","0.03","112.85","0.03","1083.7","0.5","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 O4 Ru -","- C24 H24 O4 Ru -","- C48 H48 O8 Ru2 -","2","1","","Vanessa Kar-Yan Lo; Zhen Guo; Matthew Kwok-Wai Choi; Wing-Yiu Yu; Jie-Sheng Huang; Chi-Ming Che","Highly Selective Intramolecular Carbene Insertion into Primary C-H Bond of α-Diazoacetamides Mediated by a (p-Cymene)ruthenium(II) Carboxylate Complex","Journal of the American Chemical Society","2012","134","","7588","7591","10.1021/ja3006989","","","0.71073","MoKα","","0.0343","0.0291","","","0.0876","0.0919","","","","","","0.688","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117908","13.3535","0.0012","13.8763","0.0013","15.4248","0.0014","64.42","0.001","69.503","0.001","62.713","0.001","2249.5","0.4","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H52 Cl N O5 Ru -","- C51 H52 Cl N O5 Ru -","- C102 H104 Cl2 N2 O10 Ru2 -","2","1","","Vanessa Kar-Yan Lo; Zhen Guo; Matthew Kwok-Wai Choi; Wing-Yiu Yu; Jie-Sheng Huang; Chi-Ming Che","Highly Selective Intramolecular Carbene Insertion into Primary C-H Bond of α-Diazoacetamides Mediated by a (p-Cymene)ruthenium(II) Carboxylate Complex","Journal of the American Chemical Society","2012","134","","7588","7591","10.1021/ja3006989","","","0.71073","MoKα","","0.0511","0.0417","","","0.1138","0.1238","","","","","","1.022","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117909","9.466","0.0019","19.36","0.004","10.995","0.002","90","","110.29","0.03","90","","1889.9","0.7","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 F6 O5 Ru -","- C14 H14 F6 O5 Ru -","- C56 H56 F24 O20 Ru4 -","4","1","","Vanessa Kar-Yan Lo; Zhen Guo; Matthew Kwok-Wai Choi; Wing-Yiu Yu; Jie-Sheng Huang; Chi-Ming Che","Highly Selective Intramolecular Carbene Insertion into Primary C-H Bond of α-Diazoacetamides Mediated by a (p-Cymene)ruthenium(II) Carboxylate Complex","Journal of the American Chemical Society","2012","134","","7588","7591","10.1021/ja3006989","","","0.71073","MoKα","","0.0659","0.055","","","0.1486","0.1563","","","","","","1","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117910","15.1733","0.0004","15.9533","0.0004","16.7953","0.0004","76.032","0.002","74.752","0.002","65.31","0.002","3523.49","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C118.5 H56 N4 Ni S Sc2 -","- C118.5 H56 N4 Ni S0.9998 Sc1.9996 -","- C237 H112 N8 Ni2 S1.9996 Sc3.9992 -","2","1","","Ning Chen; Christine M. Beavers; Marc Mulet-Gas; Antonio Rodríguez-Fortea; Elias J. Munoz; Yu-Yang Li; Marilyn M. Olmstead; Alan L. Balch; Josep M. Poblet; Luis Echegoyen","Sc2S@Cs(10528)-C72: A Dimetallic Sulfide Endohedral Fullerene with a Non Isolated Pentagon Rule Cage","Journal of the American Chemical Society","2012","134","","7851","7860","10.1021/ja300765z","","","0.7749","synchrotron","","0.0793","0.0569","","","0.1451","0.1625","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117911","11.6013","0.0008","13.9439","0.001","27.054","0.002","85.265","0.005","84.042","0.005","71.743","0.004","4127.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H113 N4 O9 Ru2 -","- C100 H113 N4 O9 Ru2 -","- C200 H226 N8 O18 Ru4 -","2","1","","Myles B. Herbert; Yu Lan; Benjamin K. Keitz; Peng Liu; Koji Endo; Michael W. Day; K. N. Houk; Robert H. Grubbs","Decomposition Pathways of Z-Selective Ruthenium Metathesis Catalysts","Journal of the American Chemical Society","2012","134","","7861","7866","10.1021/ja301108m","","","0.71073","MoKα","","0.1553","0.1156","","","0.1515","0.1538","","","","","","2.999","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117912","18.4243","0.0007","17.626","0.0007","23.0612","0.001","90","","90","","90","","7489","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H50 N2 O6 Ru -","- C40 H50 N2 O6 Ru -","- C320 H400 N16 O48 Ru8 -","8","1","","Myles B. Herbert; Yu Lan; Benjamin K. Keitz; Peng Liu; Koji Endo; Michael W. Day; K. N. Houk; Robert H. Grubbs","Decomposition Pathways of Z-Selective Ruthenium Metathesis Catalysts","Journal of the American Chemical Society","2012","134","","7861","7866","10.1021/ja301108m","","","0.71073","MoKα","","0.0973","0.0405","","","0.0549","0.0571","","","","","","2.102","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117913","10.1016","0.0006","19.2228","0.0011","24.4253","0.0015","90","","96.785","0.004","90","","4709.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H64 N2 O5 Ru -","- C45 H64 N2 O5 Ru -","- C180 H256 N8 O20 Ru4 -","4","1","","Myles B. Herbert; Yu Lan; Benjamin K. Keitz; Peng Liu; Koji Endo; Michael W. Day; K. N. Houk; Robert H. Grubbs","Decomposition Pathways of Z-Selective Ruthenium Metathesis Catalysts","Journal of the American Chemical Society","2012","134","","7861","7866","10.1021/ja301108m","","","0.71073","MoKα","","0.0792","0.0365","","","0.0463","0.0486","","","","","","1.085","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117914","29.559","0.0013","10.0593","0.0004","19.4668","0.0009","90","","123.744","0.002","90","","4813.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H28 Cl2 N2 O Ru -","- C27 H28 Cl2 N2 O Ru -","- C216 H224 Cl16 N16 O8 Ru8 -","8","1","","Myles B. Herbert; Yu Lan; Benjamin K. Keitz; Peng Liu; Koji Endo; Michael W. Day; K. N. Houk; Robert H. Grubbs","Decomposition Pathways of Z-Selective Ruthenium Metathesis Catalysts","Journal of the American Chemical Society","2012","134","","7861","7866","10.1021/ja301108m","","","0.71073","MoKα","","0.0556","0.0351","","","0.0531","0.0544","","","","","","1.877","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117915","6.8168","0.0013","16.553","0.004","23.215","0.004","90","","101.414","0.017","90","","2567.7","0.9","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O4 -","- C14 H14 O4 -","- C112 H112 O32 -","8","2","","Cyprien Lemouchi; Cécile Mézière; Leokadiya Zorina; Sergey Simonov; Antonio Rodríguez-Fortea; Enric Canadell; Pawel Wzietek; Pascale Auban-Senzier; Claude Pasquier; Thierry Giamarchi; Miguel A. Garcia-Garibay; Patrick Batail","Design and Evaluation of a Crystalline Hybrid of Molecular Conductors and Molecular Rotors","Journal of the American Chemical Society","2012","134","","7880","7891","10.1021/ja301484b","","","0.71073","MoKα","","0.2236","0.119","","","0.2097","0.2684","","","","","","1.136","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117916","9.4781","0.0003","13.8557","0.0004","27.3763","0.0005","90","","95.713","0.005","90","","3577.35","0.17","295","2","295","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C74 H112 N2 O12 -","- C74 H112 N2 O12 -","- C148 H224 N4 O24 -","2","0.5","","Cyprien Lemouchi; Cécile Mézière; Leokadiya Zorina; Sergey Simonov; Antonio Rodríguez-Fortea; Enric Canadell; Pawel Wzietek; Pascale Auban-Senzier; Claude Pasquier; Thierry Giamarchi; Miguel A. Garcia-Garibay; Patrick Batail","Design and Evaluation of a Crystalline Hybrid of Molecular Conductors and Molecular Rotors","Journal of the American Chemical Society","2012","134","","7880","7891","10.1021/ja301484b","","","0.71073","MoKα","","0.1308","0.0565","","","0.1076","0.1258","","","","","","1","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117917","14.69","0.004","6.6624","0.0012","18.941","0.011","90","","96.85","0.03","90","","1840.5","1.2","200","1","200","1","","","","","","","synthesis as described","5","P 1 a 1","P -2ya","7","","","","- C32 H27 N2 O6 S12 -","- C32 H27 N2 O6 S12 -","- C64 H54 N4 O12 S24 -","2","1","","Cyprien Lemouchi; Cécile Mézière; Leokadiya Zorina; Sergey Simonov; Antonio Rodríguez-Fortea; Enric Canadell; Pawel Wzietek; Pascale Auban-Senzier; Claude Pasquier; Thierry Giamarchi; Miguel A. Garcia-Garibay; Patrick Batail","Design and Evaluation of a Crystalline Hybrid of Molecular Conductors and Molecular Rotors","Journal of the American Chemical Society","2012","134","","7880","7891","10.1021/ja301484b","","","0.71073","MoKα","","0.1161","0.0761","","","0.1787","0.1942","","","","","","1.015","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117918","9.0559","0.0014","21.526","0.003","9.1804","0.0015","90","","114.203","0.0016","90","","1632.3","0.4","243","2","243","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C6 H15 N4 O12 P3 Zn -","- C6 H15 N4 O12 P3 Zn -","- C24 H60 N16 O48 P12 Zn4 -","4","1","","Satoshi Horike; Daiki Umeyama; Munehiro Inukai; Tomoya Itakura; Susumu Kitagawa","Coordination-Network-Based Ionic Plastic Crystal for Anhydrous Proton Conductivity","Journal of the American Chemical Society","2012","134","","7612","7615","10.1021/ja301875x","","","0.71075","MoKα","","0.0477","0.0401","","","0.1179","0.1263","","","","","","0.943","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117919","9.009","0.002","21.83","0.005","9.235","0.002","90","","114.064","0.003","90","","1658.4","0.6","348","2","348","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C6 H15 N4 O12 P3 Zn -","- C6 H15 N4 O12 P3 Zn -","- C24 H60 N16 O48 P12 Zn4 -","4","1","","Satoshi Horike; Daiki Umeyama; Munehiro Inukai; Tomoya Itakura; Susumu Kitagawa","Coordination-Network-Based Ionic Plastic Crystal for Anhydrous Proton Conductivity","Journal of the American Chemical Society","2012","134","","7612","7615","10.1021/ja301875x","","","0.71075","MoKα","","0.1036","0.0675","","","0.1631","0.1915","","","","","","1.053","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117920","10.3706","0.0003","11.7881","0.0003","14.3895","0.0003","109.09","0.0007","102.32","0.0008","97.1448","0.0006","1587.77","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H46 Fe2 Ga N -","- C37 H46 Fe2 Ga N -","- C74 H92 Fe4 Ga2 N2 -","2","1","","Bidraha Bagh; Gabriele Schatte; Jennifer C. Green; Jens Müller","Understanding the Reactivity of Strained Sandwich Compounds with Aluminum or Gallium in Bridging Positions: Experiments and DFT Calculations","Journal of the American Chemical Society","2012","134","","7924","7936","10.1021/ja3019274","","","1.54184","CuKα","","0.0776","0.0767","","","0.1944","0.1961","","","","","","1.046","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117921","10.7202","0.0004","17.673","0.0006","14.0352","0.0005","90","","109.973","0.001","90","","2499.15","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl2 Ga N -","- C24 H36 Cl2 Ga N -","- C96 H144 Cl8 Ga4 N4 -","4","1","","Bidraha Bagh; Gabriele Schatte; Jennifer C. Green; Jens Müller","Understanding the Reactivity of Strained Sandwich Compounds with Aluminum or Gallium in Bridging Positions: Experiments and DFT Calculations","Journal of the American Chemical Society","2012","134","","7924","7936","10.1021/ja3019274","","","1.54184","CuKα","","0.0427","0.0424","","","0.1179","0.1182","","","","","","1.055","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117922","14.7365","0.0003","10.9109","0.0002","21.9806","0.0005","90","","101.421","0.001","90","","3464.24","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H49 Al Fe2 N -","- C40 H49 Al Fe2 N -","- C160 H196 Al4 Fe8 N4 -","4","1","","Bidraha Bagh; Gabriele Schatte; Jennifer C. Green; Jens Müller","Understanding the Reactivity of Strained Sandwich Compounds with Aluminum or Gallium in Bridging Positions: Experiments and DFT Calculations","Journal of the American Chemical Society","2012","134","","7924","7936","10.1021/ja3019274","","","1.54184","CuKα","","0.0772","0.066","","","0.1673","0.1799","","","","","","1.031","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117923","21.6727","0.0018","7.9317","0.0006","18.628","0.0016","90","","115.072","0.001","90","","2900.5","0.4","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 O6 S2 -","- C36 H28 O6 S2 -","- C144 H112 O24 S8 -","4","1","","Ken Yamashita; Yoshihiko Yamamoto; Hisao Nishiyama","Ruthenium-Catalyzed Transfer Oxygenative Cyclization of α,ω-Diynes: Unprecedented [2 + 2 + 1] Route to Bicyclic Furans via Ruthenacyclopentatriene","Journal of the American Chemical Society","2012","134","","7660","7663","10.1021/ja302868s","","","0.71073","MoKα","","0.0633","0.0459","","","0.1056","0.1135","","","","","","0.983","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117924","11.6967","0.0007","17.9618","0.001","23.3919","0.0014","90","","90","","90","","4914.5","0.5","193","2","193","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C59 H56 B F4 Ir N O2 P -","- C59 H56 B F4 Ir N O2 P -","- C236 H224 B4 F16 Ir4 N4 O8 P4 -","4","1","","Sherzod T. Madrahimov; John F. Hartwig","Origins of Enantioselectivity during Allylic Substitution Reactions Catalyzed by Metallacyclic Iridium Complexes","Journal of the American Chemical Society","2012","134","","8136","8147","10.1021/ja212217j","","","0.71073","MoKα","","0.0467","0.0344","","","0.0627","0.0664","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117925","11.8217","0.0004","17.9236","0.0006","23.4719","0.0009","90","","90","","90","","4973.4","0.3","193","2","193","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C59 H54 B F6 Ir N O2 P -","- C59 H54 B F6 Ir N O2 P -","- C236 H216 B4 F24 Ir4 N4 O8 P4 -","4","1","","Sherzod T. Madrahimov; John F. Hartwig","Origins of Enantioselectivity during Allylic Substitution Reactions Catalyzed by Metallacyclic Iridium Complexes","Journal of the American Chemical Society","2012","134","","8136","8147","10.1021/ja212217j","","","0.71073","MoKα","","0.0737","0.0436","","","0.0694","0.0776","","","","","","1.02","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117926","11.7247","0.0004","17.6448","0.0006","23.93","0.0008","90","","90","","90","","4950.6","0.3","193","2","193","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C59 H55 B Br F4 Ir N O2 P -","- C59 H55 B Br F4 Ir N O2 P -","- C236 H220 B4 Br4 F16 Ir4 N4 O8 P4 -","4","1","","Sherzod T. Madrahimov; John F. Hartwig","Origins of Enantioselectivity during Allylic Substitution Reactions Catalyzed by Metallacyclic Iridium Complexes","Journal of the American Chemical Society","2012","134","","8136","8147","10.1021/ja212217j","","","0.71073","MoKα","","0.0432","0.0316","","","0.0662","0.0703","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117927","26.0148","0.0012","26.0148","0.0012","43.71","0.004","90","","90","","90","","29582","3","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H300 Ni24 O126 S24 -","- C312 H288 Ni24 O126 S24 -","- C624 H576 Ni48 O252 S48 -","2","0.125","","Feng-Rong Dai; Zhenqiang Wang","Modular Assembly of Metal-Organic Supercontainers Incorporating Sulfonylcalixarenes","Journal of the American Chemical Society","2012","134","","8002","8005","10.1021/ja300095j","","","0.71073","MoKα","","0.1226","0.104","","","0.3171","0.3438","","","","","","1.04","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117928","26.1192","0.0014","26.1192","0.0014","43.919","0.005","90","","90","","90","","29962","4","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H300 Co24 O126 S24 -","- C312 H288 Co24 O126 S24 -","- C624 H576 Co48 O252 S48 -","2","0.125","","Feng-Rong Dai; Zhenqiang Wang","Modular Assembly of Metal-Organic Supercontainers Incorporating Sulfonylcalixarenes","Journal of the American Chemical Society","2012","134","","8002","8005","10.1021/ja300095j","","","0.71073","MoKα","","0.0905","0.0749","","","0.2303","0.2475","","","","","","0.992","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117929","26.1265","0.0012","26.1265","0.0012","43.923","0.004","90","","90","","90","","29982","3","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H300 Mg24 O126 S24 -","- C312 H288 Mg24 O126 S24 -","- C624 H576 Mg48 O252 S48 -","2","0.125","","Feng-Rong Dai; Zhenqiang Wang","Modular Assembly of Metal-Organic Supercontainers Incorporating Sulfonylcalixarenes","Journal of the American Chemical Society","2012","134","","8002","8005","10.1021/ja300095j","","","0.71073","MoKα","","0.0871","0.0807","","","0.2982","0.3097","","","","","","1.111","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117930","25.5358","0.001","25.5358","0.001","60.059","0.005","90","","90","","120","","33916","3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C216 H108 Ni24 O126 S24 -","- C216 H96 Ni24 O126 S24 -","- C648 H288 Ni72 O378 S72 -","3","0.166667","","Feng-Rong Dai; Zhenqiang Wang","Modular Assembly of Metal-Organic Supercontainers Incorporating Sulfonylcalixarenes","Journal of the American Chemical Society","2012","134","","8002","8005","10.1021/ja300095j","","","0.71073","MoKα","","0.0786","0.0663","","","0.2154","0.2254","","","","","","1.019","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117931","25.7198","0.0007","25.7198","0.0007","60.934","0.003","90","","90","","120","","34908","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C216 H156 Co24 O126 S24 -","- C216 H144 Co24 O126 S24 -","- C648 H432 Co72 O378 S72 -","3","0.166667","","Feng-Rong Dai; Zhenqiang Wang","Modular Assembly of Metal-Organic Supercontainers Incorporating Sulfonylcalixarenes","Journal of the American Chemical Society","2012","134","","8002","8005","10.1021/ja300095j","","","0.71073","MoKα","","0.0466","0.039","","","0.1146","0.1176","","","","","","1.139","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117932","10.2222","0.0004","12.2208","0.0005","13.5228","0.0005","101.287","0.0005","110.519","0.0005","111.563","0.0004","1365.44","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H80 Cl2 N4 Rh2 -","- C58 H80 Cl2 N4 Rh2 -","- C58 H80 Cl2 N4 Rh2 -","1","0.5","","Andrea Di Giuseppe; Ricardo Castarlenas; Jesús J. Pérez-Torrente; Marcello Crucianelli; Victor Polo; Rodrigo Sancho; Fernando J. Lahoz; Luis A. Oro","Ligand-Controlled Regioselectivity in the Hydrothiolation of Alkynes by Rhodium N-Heterocyclic Carbene Catalysts","Journal of the American Chemical Society","2012","134","","8171","8183","10.1021/ja300396h","","","0.71073","MoKα","","0.0227","0.0216","","","0.0553","0.056","","","","","","1.035","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117933","10.374","0.003","10.874","0.003","17.559","0.004","85.301","0.003","75.467","0.003","72.538","0.003","1829","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H55 Cl N3 Rh -","- C40 H55 Cl N3 Rh -","- C80 H110 Cl2 N6 Rh2 -","2","1","","Andrea Di Giuseppe; Ricardo Castarlenas; Jesús J. Pérez-Torrente; Marcello Crucianelli; Victor Polo; Rodrigo Sancho; Fernando J. Lahoz; Luis A. Oro","Ligand-Controlled Regioselectivity in the Hydrothiolation of Alkynes by Rhodium N-Heterocyclic Carbene Catalysts","Journal of the American Chemical Society","2012","134","","8171","8183","10.1021/ja300396h","","","0.71073","MoKα","","0.0893","0.0571","","","0.1263","0.1372","","","","","","1.003","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117934","16.1343","0.0015","16.1343","0.0015","16.1343","0.0015","90","","90","","90","","4200","0.7","100","2","100","2","","","","","","","","4","P 4 3 2","P 4 2 3","207","","","","- C120 H144 N72 Ni14 -","- C120 H144 N72 Ni14 -","- C120 H144 N72 Ni14 -","1","0.0416667","","Xiao-Ping Zhou; Jie Liu; Shun-Ze Zhan; Ju-Rong Yang; Dan Li; Kwan-Ming Ng; Raymond Wai-Yin Sun; Chi-Ming Che","A High-Symmetry Coordination Cage from 38- or 62-Component Self-Assembly","Journal of the American Chemical Society","2012","134","","8042","8045","10.1021/ja302142c","","","1.5418","CuKα","","0.1639","0.0958","","","0.221","0.2567","","","","","","0.913","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117935","16.2323","0.0005","16.2323","0.0005","16.2323","0.0005","90","","90","","90","","4277","0.2","293","2","293","2","","","","","","","","4","P 4 3 2","P 4 2 3","207","","","","- C120 H144 N72 Ni14 -","- C120 H144 N72 Ni14 -","- C120 H144 N72 Ni14 -","1","0.0416667","","Xiao-Ping Zhou; Jie Liu; Shun-Ze Zhan; Ju-Rong Yang; Dan Li; Kwan-Ming Ng; Raymond Wai-Yin Sun; Chi-Ming Che","A High-Symmetry Coordination Cage from 38- or 62-Component Self-Assembly","Journal of the American Chemical Society","2012","134","","8042","8045","10.1021/ja302142c","","","1.5418","CuKα","","0.1586","0.105","","","0.25","0.2838","","","","","","0.996","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117936","14.43","0.003","40.91","0.009","30.645","0.006","90","","101.996","0.003","90","","17696","6","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C132 H172 Cd4 N12 Ni4 O32 -","- C132 H162 Cd4 N12 Ni4 O32 -","- C528 H648 Cd16 N48 Ni16 O128 -","4","1","","Chengfeng Zhu; Guozan Yuan; Xu Chen; Zhiwei Yang; Yong Cui","Chiral Nanoporous Metal-Metallosalen Frameworks for Hydrolytic Kinetic Resolution of Epoxides","Journal of the American Chemical Society","2012","134","","8058","8061","10.1021/ja302340b","","","0.71073","MoKα","","0.1838","0.1072","","","0.2559","0.3104","","","","","","0.996","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117937","14.2697","0.0009","40.363","0.003","30.931","0.002","90","","102.623","0.005","90","","17385","2","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C140 H176 Cd4 Co4 N12 O36 -","- C140 H157 Cd4 Co4 N12 O36 -","- C560 H628 Cd16 Co16 N48 O144 -","4","1","","Chengfeng Zhu; Guozan Yuan; Xu Chen; Zhiwei Yang; Yong Cui","Chiral Nanoporous Metal-Metallosalen Frameworks for Hydrolytic Kinetic Resolution of Epoxides","Journal of the American Chemical Society","2012","134","","8058","8061","10.1021/ja302340b","","","1.54178","CuKα","","0.1459","0.1294","","","0.3254","0.3375","","","","","","1.065","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117938","9.3676","0.0008","10.5455","0.0009","13.8622","0.0011","88.235","0.002","72.615","0.002","63.819","0.002","1164.57","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H39 N O -","- C28 H38.66 N O -","- C56 H77.32 N2 O2 -","2","1","","Ming Bian; Zhen Wang; Xiaochun Xiong; Yu Sun; Carlo Matera; K. C. Nicolaou; Ang Li","Total Syntheses of Anominine and Tubingensin A","Journal of the American Chemical Society","2012","134","","8078","8081","10.1021/ja302765m","","","0.71073","MoKα","","0.0566","0.0478","","","0.1314","0.1401","","","","","","1.022","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117939","8.0406","0.001","9.7562","0.0012","17.27","0.002","91.331","0.002","94.771","0.002","90.583","0.002","1349.6","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H37 N O4 S -","- C32 H37 N O4 S -","- C64 H74 N2 O8 S2 -","2","1","","Ming Bian; Zhen Wang; Xiaochun Xiong; Yu Sun; Carlo Matera; K. C. Nicolaou; Ang Li","Total Syntheses of Anominine and Tubingensin A","Journal of the American Chemical Society","2012","134","","8078","8081","10.1021/ja302765m","","","0.71073","MoKα","","0.0613","0.0406","","","0.1118","0.1375","","","","","","0.874","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117940","8.9538","0.0007","22.0679","0.0017","26.333","0.002","90","","90","","90","","5203.2","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 N O4 S -","- C30 H33 N O4 S -","- C240 H264 N8 O32 S8 -","8","2","","Ming Bian; Zhen Wang; Xiaochun Xiong; Yu Sun; Carlo Matera; K. C. Nicolaou; Ang Li","Total Syntheses of Anominine and Tubingensin A","Journal of the American Chemical Society","2012","134","","8078","8081","10.1021/ja302765m","","","0.71073","MoKα","","0.0804","0.0564","","","0.1091","0.1183","","","","","","1.058","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117941","13.4405","0.0014","8.5144","0.0009","22.05","0.002","90","","94.138","0.002","90","","2516.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N O4 S -","- C30 H31 N O4 S -","- C120 H124 N4 O16 S4 -","4","1","","Ming Bian; Zhen Wang; Xiaochun Xiong; Yu Sun; Carlo Matera; K. C. Nicolaou; Ang Li","Total Syntheses of Anominine and Tubingensin A","Journal of the American Chemical Society","2012","134","","8078","8081","10.1021/ja302765m","","","0.71073","MoKα","","0.1387","0.0714","","","0.1428","0.1673","","","","","","1.027","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117942","9.0959","0.0004","16.5417","0.0007","18.7217","0.0008","90","","90","","90","","2816.9","0.2","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H25 Br3 N4 O -","- C33 H25 Br3 N4 O -","- C132 H100 Br12 N16 O4 -","4","1","","Daniel A. DiRocco; Tomislav Rovis","Catalytic Asymmetric α-Acylation of Tertiary Amines Mediated by a Dual Catalysis Mode: N-Heterocyclic Carbene and Photoredox Catalysis","Journal of the American Chemical Society","2012","134","","8094","8097","10.1021/ja3030164","","","0.71073","MoKα","","0.0663","0.0388","","","0.085","0.1144","","","","","","1.087","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117943","10.6294","0.0003","14.2671","0.0004","23.8757","0.0007","90","","102.499","0.0012","90","","3534.95","0.18","123","1","123","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 B Br I2 N4 -","- C38 H34 B Br I2 N4 -","- C152 H136 B4 Br4 I8 N16 -","4","1","","Sebastian M. Walter; Florian Kniep; Laxmidhar Rout; Franz P. Schmidtchen; Eberhardt Herdtweck; Stefan M. Huber","Isothermal Calorimetric Titrations on Charge-Assisted Halogen Bonds: Role of Entropy, Counterions, Solvent, and Temperature","Journal of the American Chemical Society","2012","134","","8507","8512","10.1021/ja2119207","","","0.71073","MoKα","","0.0159","0.015","","","0.0383","0.0389","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117944","9.9349","0.0006","10.7892","0.0007","13.8083","0.001","80.842","0.003","76.789","0.003","89.087","0.003","1422.25","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 N2 O2 -","- C14 H22 N2 O2 -","- C56 H88 N8 O8 -","4","2","","Lucie Routaboul; Pierre Braunstein; Jie Xiao; Zhengzheng Zhang; Peter A. Dowben; Guillaume Dalmas; Victor Da Costa; Olivier Félix; Gero Decher; Luis G. Rosa; Bernard Doudin","Altering the Static Dipole on Surfaces through Chemistry: Molecular Films of Zwitterionic Quinonoids","Journal of the American Chemical Society","2012","134","","8494","8506","10.1021/ja212104b","","x-ray","0.71073","MoKα","","0.1266","0.0595","","","0.1369","0.1746","","","","","","0.991","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117945","5.4005","0.0003","9.7681","0.0006","14.5879","0.001","108.01","0.003","96.889","0.004","90.574","0.004","725.66","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 N2 O4 -","- C14 H22 N2 O4 -","- C28 H44 N4 O8 -","2","1","","Lucie Routaboul; Pierre Braunstein; Jie Xiao; Zhengzheng Zhang; Peter A. Dowben; Guillaume Dalmas; Victor Da Costa; Olivier Félix; Gero Decher; Luis G. Rosa; Bernard Doudin","Altering the Static Dipole on Surfaces through Chemistry: Molecular Films of Zwitterionic Quinonoids","Journal of the American Chemical Society","2012","134","","8494","8506","10.1021/ja212104b","","","0.71073","MoKα","","0.081","0.0561","","","0.1576","0.19","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117946","5.3008","0.0004","9.8123","0.0007","15.3621","0.0009","104.132","0.004","91.046","0.003","94.447","0.004","771.94","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 N2 O2 S2 -","- C14 H22 N2 O2 S2 -","- C28 H44 N4 O4 S4 -","2","1","","Lucie Routaboul; Pierre Braunstein; Jie Xiao; Zhengzheng Zhang; Peter A. Dowben; Guillaume Dalmas; Victor Da Costa; Olivier Félix; Gero Decher; Luis G. Rosa; Bernard Doudin","Altering the Static Dipole on Surfaces through Chemistry: Molecular Films of Zwitterionic Quinonoids","Journal of the American Chemical Society","2012","134","","8494","8506","10.1021/ja212104b","","x-ray","0.71073","MoKα","","0.0919","0.0671","","","0.1766","0.1873","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117947","8.0084","0.0003","21.0943","0.0008","11.4508","0.0004","90","","100.991","0.002","90","","1898.92","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H12 F20 Fe N6 O4 -","- C38 H12 F20 Fe N6 O4 -","- C76 H24 F40 Fe2 N12 O8 -","2","0.5","","Michael J. Rose; Harry B. Gray; Jay R. Winkler","Hydrogen Generation Catalyzed by Fluorinated Diglyoxime-Iron Complexes at Low Overpotentials","Journal of the American Chemical Society","2012","134","","8310","8313","10.1021/ja300534r","","","0.71073","MoKα","","0.0568","0.0416","","","0.0527","0.0534","","","","","","2.186","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117948","9.0623","0.0004","13.586","0.0006","18.751","0.0009","100.956","0.002","96.719","0.003","94.164","0.003","2240.31","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H11.31 B1.69 Cl3 F23.4 Fe N6 O4 -","- C39 H11.2908 B1.7092 Cl3 F23.4184 Fe N6 O4 -","- C78 H22.5816 B3.4184 Cl6 F46.8368 Fe2 N12 O8 -","2","1","","Michael J. Rose; Harry B. Gray; Jay R. Winkler","Hydrogen Generation Catalyzed by Fluorinated Diglyoxime-Iron Complexes at Low Overpotentials","Journal of the American Chemical Society","2012","134","","8310","8313","10.1021/ja300534r","","","0.71073","MoKα","","0.0623","0.0425","","","0.0521","0.0528","","","","","","2.168","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117949","9.0321","0.0004","30.6711","0.0013","15.7862","0.0007","90","","95.441","0.003","90","","4353.5","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H11 B1.3 Cl3 F22.62 Fe N6 O4 -","- C39 H11 B1.317 Cl3 F22.634 Fe N6 O4 -","- C156 H44 B5.268 Cl12 F90.536 Fe4 N24 O16 -","4","1","","Michael J. Rose; Harry B. Gray; Jay R. Winkler","Hydrogen Generation Catalyzed by Fluorinated Diglyoxime-Iron Complexes at Low Overpotentials","Journal of the American Chemical Society","2012","134","","8310","8313","10.1021/ja300534r","","","0.71073","MoKα","","0.0811","0.0666","","","0.1137","0.1147","","","","","","3.1","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117950","8.3759","0.0002","21.409","0.0005","12.8492","0.0003","90","","107.149","0.003","90","","2201.68","0.1","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H66 Cu2 F12 N6 O4 Sb2 -","- C28 H66 Cu2 F12 N6 O4 Sb2 -","- C56 H132 Cu4 F24 N12 O8 Sb4 -","2","0.5","","Ga Young Park; Munzarin F. Qayyum; Julia Woertink; Keith O. Hodgson; Britt Hedman; Amy A. Narducci Sarjeant; Edward I. Solomon; Kenneth D. Karlin","Geometric and Electronic Structure of [{Cu(MeAN)}2(μ-η2:η2(O22-))]2+ with an Unusually Long O-O Bond: O-O Bond Weakening vs Activation for Reductive Cleavage","Journal of the American Chemical Society","2012","134","","8513","8524","10.1021/ja300674m","","","0.71073","MoKα","","0.0554","0.0405","","","0.0862","0.0929","","","","","","1.145","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117951","19.6334","0.0013","38.328","0.003","35.902","0.002","90","","99.977","0.002","90","","26608","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2c","","","- C188 H216 Mo N36 O23 Zn4 -","- C188 H216 Mo N36 O23 Zn4 -","- C752 H864 Mo4 N144 O92 Zn16 -","4","1","","Radu Custelcean; Peter V. Bonnesen; Nathan C. Duncan; Xiaohua Zhang; Lori A. Watson; Gary Van Berkel; Whitney B. Parson; Benjamin P. Hay","Urea-Functionalized M4L6 Cage Receptors: Anion-Templated Self-Assembly and Selective Guest Exchange in Aqueous Solutions","Journal of the American Chemical Society","2012","134","","8525","8534","10.1021/ja300677w","","","0.71073","MoKα","","0.1398","0.1004","","","0.2753","0.2998","","","","","","0.987","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117952","27.4685","0.0019","27.4685","0.0019","19.581","0.003","90","","90","","120","","12795","2","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","1a","","","- C138 H120 N36 Ni4 O10 S -","- C138 H120 N36 Ni4 O10 S -","- C414 H360 N108 Ni12 O30 S3 -","3","0.333333","","Radu Custelcean; Peter V. Bonnesen; Nathan C. Duncan; Xiaohua Zhang; Lori A. Watson; Gary Van Berkel; Whitney B. Parson; Benjamin P. Hay","Urea-Functionalized M4L6 Cage Receptors: Anion-Templated Self-Assembly and Selective Guest Exchange in Aqueous Solutions","Journal of the American Chemical Society","2012","134","","8525","8534","10.1021/ja300677w","","","0.71073","MoKα","","0.0611","0.0491","","","0.1113","0.1171","","","","","","0.966","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117953","27.5237","0.0012","27.5237","0.0012","19.5581","0.0018","90","","90","","120","","12831.3","1.4","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","1b","","","- C138 H120 N39 Ni4 O38 P -","- C138 H120 N39 Ni4 O38 P -","- C414 H360 N117 Ni12 O114 P3 -","3","0.333333","","Radu Custelcean; Peter V. Bonnesen; Nathan C. Duncan; Xiaohua Zhang; Lori A. Watson; Gary Van Berkel; Whitney B. Parson; Benjamin P. Hay","Urea-Functionalized M4L6 Cage Receptors: Anion-Templated Self-Assembly and Selective Guest Exchange in Aqueous Solutions","Journal of the American Chemical Society","2012","134","","8525","8534","10.1021/ja300677w","","","0.71073","MoKα","","0.132","0.1131","","","0.2811","0.3016","","","","","","1.263","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117954","19.6077","0.001","38.301","0.002","35.8262","0.0019","90","","99.45","0.001","90","","26540","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2a","","","- C192 H216 N39 O76 S Zn4 -","- C192 H216 N39 O76 S Zn4 -","- C768 H864 N156 O304 S4 Zn16 -","4","1","","Radu Custelcean; Peter V. Bonnesen; Nathan C. Duncan; Xiaohua Zhang; Lori A. Watson; Gary Van Berkel; Whitney B. Parson; Benjamin P. Hay","Urea-Functionalized M4L6 Cage Receptors: Anion-Templated Self-Assembly and Selective Guest Exchange in Aqueous Solutions","Journal of the American Chemical Society","2012","134","","8525","8534","10.1021/ja300677w","","","0.71073","MoKα","","0.1486","0.1086","","","0.3066","0.3335","","","","","","1.141","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117955","19.6631","0.0012","38.377","0.002","36.123","0.002","90","","100.995","0.001","90","","26758","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2b","","","- C189 H216 Cr N36 O29 Zn4 -","- C189 H216 Cr N36 O29 Zn4 -","- C756 H864 Cr4 N144 O116 Zn16 -","4","1","","Radu Custelcean; Peter V. Bonnesen; Nathan C. Duncan; Xiaohua Zhang; Lori A. Watson; Gary Van Berkel; Whitney B. Parson; Benjamin P. Hay","Urea-Functionalized M4L6 Cage Receptors: Anion-Templated Self-Assembly and Selective Guest Exchange in Aqueous Solutions","Journal of the American Chemical Society","2012","134","","8525","8534","10.1021/ja300677w","","","0.71073","MoKα","","0.1491","0.1067","","","0.3006","0.3247","","","","","","1.068","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117956","10.3495","0.0011","4.7632","0.0005","17.684","0.002","90","","90","","90","","871.76","0.16","300","2","300","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cs I3 Sn -","- Cs I3 Sn -","- Cs4 I12 Sn4 -","4","0.5","","In Chung; Jung-Hwan Song; Jino Im; John Androulakis; Christos D. Malliakas; Hao Li; Arthur J. Freeman; John T. Kenney; Mercouri G. Kanatzidis","CsSnI3: Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions","Journal of the American Chemical Society","2012","134","","8579","8587","10.1021/ja301539s","","","0.71073","MoKα","","0.0421","0.0288","","","0.0536","0.0563","","","","","","1.049","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117957","6.2057","0.0007","6.2057","0.0007","6.2057","0.0007","90","","90","","90","","238.99","0.05","500","2","500","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Cs I3 Sn -","- Cs I3 Sn -","- Cs I3 Sn -","1","0.0208333","","In Chung; Jung-Hwan Song; Jino Im; John Androulakis; Christos D. Malliakas; Hao Li; Arthur J. Freeman; John T. Kenney; Mercouri G. Kanatzidis","CsSnI3: Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions","Journal of the American Chemical Society","2012","134","","8579","8587","10.1021/ja301539s","","","0.71073","MoKα","","0.0345","0.0289","","","0.069","0.0707","","","","","","1.171","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117958","8.7182","0.0008","8.7182","0.0008","6.1908","0.0006","90","","90","","90","","470.54","0.08","380","2","380","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- Cs I3 Sn -","- Cs I3 Sn -","- Cs2 I6 Sn2 -","2","0.125","","In Chung; Jung-Hwan Song; Jino Im; John Androulakis; Christos D. Malliakas; Hao Li; Arthur J. Freeman; John T. Kenney; Mercouri G. Kanatzidis","CsSnI3: Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions","Journal of the American Chemical Society","2012","134","","8579","8587","10.1021/ja301539s","","","0.71073","MoKα","","0.0822","0.0656","","","0.152","0.1599","","","","","","1.128","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117959","8.6885","0.0005","12.3775","0.0004","8.6384","0.0006","90","","90","","90","","928.99","0.09","300","2","300","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cs I3 Sn -","- Cs I3 Sn -","- Cs4 I12 Sn4 -","4","0.5","","In Chung; Jung-Hwan Song; Jino Im; John Androulakis; Christos D. Malliakas; Hao Li; Arthur J. Freeman; John T. Kenney; Mercouri G. Kanatzidis","CsSnI3: Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions","Journal of the American Chemical Society","2012","134","","8579","8587","10.1021/ja301539s","","","0.71073","MoKα","","0.0553","0.0431","","","0.0954","0.0991","","","","","","1.192","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117960","45.7446","0.0011","31.0966","0.0005","45.7325","0.0011","90","","92.945","0.002","90","","64969","2","100","2","100","1","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C246.25 H168 Eu7 F18.75 N36 O54.75 S6.25 -","- C246.25 H168 Eu7 F18.75 N36 O54.75 S6.25 -","- C1970 H1344 Eu56 F150 N288 O438 S50 -","8","2","","Gülay Bozoklu; Christelle Gateau; Daniel Imbert; Jacques Pécaut; Koen Robeyns; Yaroslav Filinchuk; Farah Memon; Gilles Muller; Marinella Mazzanti","Metal-Controlled Diastereoselective Self-Assembly and Circularly Polarized Luminescence of a Chiral Heptanuclear Europium Wheel","Journal of the American Chemical Society","2012","134","","8372","8375","10.1021/ja3020814","","","0.70093","synchrotron","","0.1119","0.0975","","","0.2698","0.2913","","","","","","1.013","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117961","17.3261","0.0002","32.2069","0.0003","32.3667","0.0003","90","","90","","90","","18061.3","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42.88 H35.5 Eu F3 N6 O10.88 S -","- C42.875 H35.5 Eu F3 N6 O10.875 S -","- C686 H568 Eu16 F48 N96 O174 S16 -","16","4","","Gülay Bozoklu; Christelle Gateau; Daniel Imbert; Jacques Pécaut; Koen Robeyns; Yaroslav Filinchuk; Farah Memon; Gilles Muller; Marinella Mazzanti","Metal-Controlled Diastereoselective Self-Assembly and Circularly Polarized Luminescence of a Chiral Heptanuclear Europium Wheel","Journal of the American Chemical Society","2012","134","","8372","8375","10.1021/ja3020814","","","0.71073","MoKα","","0.0969","0.0439","","","0.0769","0.0833","","","","","","0.776","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117962","11.7144","0.0012","8.8267","0.001","20.144","0.003","90","","101.94","0.005","90","","2037.8","0.4","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H21 Br F3 N O3 -","- C20 H21 Br F3 N O3 -","- C80 H84 Br4 F12 N4 O12 -","4","2","","Jeffrey S. Arnold; Hien M. Nguyen","Rhodium-Catalyzed Dynamic Kinetic Asymmetric Transformations of Racemic Tertiary Allylic Trichloroacetimidates with Anilines","Journal of the American Chemical Society","2012","134","","8380","8383","10.1021/ja302223p","","","0.71073","MoKα","","0.0472","0.0344","","","0.0744","0.0795","","","","","","1.022","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117963","36.5619","0.001","17.2565","0.0006","32.5545","0.0014","90","","120.74","0.001","90","","17653.7","1.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C82.5 H107.5 N10 O21.5 -","- C82.5 H99.5 N10 O21.5 -","- C660 H796 N80 O172 -","8","1","","Xiao-Bo Hu; Zhenxia Chen; Gangfeng Tang; Jun-Li Hou; Zhan-Ting Li","Single-Molecular Artificial Transmembrane Water Channels","Journal of the American Chemical Society","2012","134","","8384","8387","10.1021/ja302292c","","","1.54178","CuKα","","0.1678","0.1368","","","0.3794","0.4156","","","","","","1.804","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117964","40.537","0.003","10.192","0.0008","18.2312","0.0013","90","","95.188","0.002","90","","7501.4","1","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C52 H52 Cd3 Cu N6 O16 -","- C52 H52 Cd3 Cu N6 O16 -","- C208 H208 Cd12 Cu4 N24 O64 -","4","1","","Madhab C. Das; Qunsheng Guo; Yabing He; Jaheon Kim; Cong-Gui Zhao; Kunlun Hong; Shengchang Xiang; Zhangjing Zhang; K. Mark Thomas; Rajamani Krishna; Banglin Chen","Interplay of Metalloligand and Organic Ligand to Tune Micropores within Isostructural Mixed-Metal Organic Frameworks (M'MOFs) for Their Highly Selective Separation of Chiral and Achiral Small Molecules","Journal of the American Chemical Society","2012","134","","8703","8710","10.1021/ja302380x","","","0.71073","MoKα","","0.0891","0.0673","","","0.1795","0.1965","","","","","","1.024","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117965","10.3562","0.0003","17.8979","0.0005","44.1383","0.0014","90","","90","","90","","8181.2","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C71 H94 Cd3 Cu N11 O21 -","- C71 H94 Cd3 Cu N11 O21 -","- C284 H376 Cd12 Cu4 N44 O84 -","4","1","","Madhab C. Das; Qunsheng Guo; Yabing He; Jaheon Kim; Cong-Gui Zhao; Kunlun Hong; Shengchang Xiang; Zhangjing Zhang; K. Mark Thomas; Rajamani Krishna; Banglin Chen","Interplay of Metalloligand and Organic Ligand to Tune Micropores within Isostructural Mixed-Metal Organic Frameworks (M'MOFs) for Their Highly Selective Separation of Chiral and Achiral Small Molecules","Journal of the American Chemical Society","2012","134","","8703","8710","10.1021/ja302380x","","","0.71073","MoKα","","0.0631","0.0457","","","0.1127","0.1234","","","","","","1.02","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117966","3.3717","0.00018","3.3717","","5.3855","0.0007","90","","90","","120","","53.022","0.007","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Mn O -","- Mn O -","- Mn2 O2 -","2","0.166667","","Ki Min Nam; Yong-Il Kim; Younghun Jo; Seung Mi Lee; Bog G. Kim; Ran Choi; Sang-Il Choi; Hyunjoon Song; Joon T. Park","New Crystal Structure: Synthesis and Characterization of Hexagonal Wurtzite MnO","Journal of the American Chemical Society","2012","134","","8392","8395","10.1021/ja302440y","powder diffraction","","","","","","","","","","","","","1.18","","","","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117967","12.1787","0.0004","13.9544","0.0005","20.7259","0.0007","80.666","0.003","83.051","0.003","81.95","0.003","3424","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C65 H90 O10 -","- C65 H90 O10 -","- C130 H180 O20 -","2","1","","Guocan Yu; Chengyou Han; Zibin Zhang; Jianzhuang Chen; Xuzhou Yan; Bo Zheng; Shiyong Liu; Feihe Huang","Pillar[6]arene-Based Photoresponsive Host-Guest Complexation","Journal of the American Chemical Society","2012","134","","8711","8717","10.1021/ja302998q","","","1.54184","CuKα","","0.0932","0.0815","","","0.2547","0.2714","","","","","","1.054","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117968","13.2244","0.001","13.7845","0.001","23.3051","0.0012","89.203","0.005","79.553","0.005","76.373","0.006","4058.5","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C78 H108 O12 -","- C78 H108 O12 -","- C156 H216 O24 -","2","1","","Guocan Yu; Chengyou Han; Zibin Zhang; Jianzhuang Chen; Xuzhou Yan; Bo Zheng; Shiyong Liu; Feihe Huang","Pillar[6]arene-Based Photoresponsive Host-Guest Complexation","Journal of the American Chemical Society","2012","134","","8711","8717","10.1021/ja302998q","","","1.54184","CuKα","","0.1758","0.14","","","0.3813","0.4244","","","","","","1.45","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117969","8.2014","0.0005","22.2986","0.0013","28.7001","0.0017","90","","90","","90","","5248.7","0.5","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Ho Si3 -","- C24 H39 Ho Si3 -","- C192 H312 Ho8 Si24 -","8","1","","Matthew R. MacDonald; Jefferson E. Bates; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Expanding Rare-Earth Oxidation State Chemistry to Molecular Complexes of Holmium(II) and Erbium(II)","Journal of the American Chemical Society","2012","134","","8420","8423","10.1021/ja303357w","","","0.71073","MoKα","","0.022","0.0176","","","0.0435","0.0457","","","","","","1.047","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117970","11.2526","0.0015","16.943","0.002","22.475","0.003","90","","90","","90","","4284.9","1","88","2","88","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H63 Ho K O6 Si3 -","- C36 H63 Ho K O6 Si3 -","- C144 H252 Ho4 K4 O24 Si12 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Expanding Rare-Earth Oxidation State Chemistry to Molecular Complexes of Holmium(II) and Erbium(II)","Journal of the American Chemical Society","2012","134","","8420","8423","10.1021/ja303357w","","","0.71073","MoKα","","0.0432","0.0378","","","0.0657","0.067","","","","","","1.134","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117971","11.2622","0.0006","16.9412","0.001","22.451","0.0013","90","","90","","90","","4283.5","0.4","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H63 Er K O6 Si3 -","- C36 H63 Er K O6 Si3 -","- C144 H252 Er4 K4 O24 Si12 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Expanding Rare-Earth Oxidation State Chemistry to Molecular Complexes of Holmium(II) and Erbium(II)","Journal of the American Chemical Society","2012","134","","8420","8423","10.1021/ja303357w","","","0.71073","MoKα","","0.0157","0.015","","","0.0352","0.0355","","","","","","1.039","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117972","8.1874","0.0004","22.3083","0.0012","28.5628","0.0015","90","","90","","90","","5216.9","0.5","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Er Si3 -","- C24 H39 Er Si3 -","- C192 H312 Er8 Si24 -","8","1","","Matthew R. MacDonald; Jefferson E. Bates; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Expanding Rare-Earth Oxidation State Chemistry to Molecular Complexes of Holmium(II) and Erbium(II)","Journal of the American Chemical Society","2012","134","","8420","8423","10.1021/ja303357w","","","0.71073","MoKα","","0.0309","0.0231","","","0.047","0.0494","","","","","","1.092","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117973","6.04693","0.00004","7.43176","0.00006","33.64396","0.0002","90","","90","","90","","1511.94","0.018","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54184","CuKα","","0.0284","0.0279","","","0.0723","0.0726","","","","","","1.034","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117974","9.2488","0.0001","5.6157","0.0001","18.4938","0.0003","90","","103.113","0.001","90","","935.49","0.02","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O -","- C25 H23 N O -","- C50 H46 N2 O2 -","2","1","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54178","CuKα","","0.0273","0.0269","","","0.0732","0.0737","","","","","","1.059","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117975","6.16","0.00003","14.96421","0.0001","7.96235","0.00005","90","","90.1372","0.0005","90","","733.964","0.008","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O -","- C19 H19 N O -","- C38 H38 N2 O2 -","2","1","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54184","CuKα","","0.0236","0.0235","","","0.0628","0.0628","","","","","","1.042","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117976","24.3724","0.0003","5.7222","0.0001","24.8875","0.0004","90","","104.722","0.002","90","","3356.96","0.09","120","2","120","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C20 H18 F3 N O -","- C20 H18 F3 N O -","- C160 H144 F24 N8 O8 -","8","2","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54178","CuKα","","0.0393","0.0387","","","0.1053","0.1061","","","","","","1.064","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117977","7.4375","0.0001","14.1636","0.0001","16.3831","0.0001","90","","90","","90","","1725.82","0.03","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O2 S -","- C20 H19 N O2 S -","- C80 H76 N4 O8 S4 -","4","1","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54178","CuKα","","0.0212","0.0212","","","0.0586","0.0587","","","","","","1.058","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117978","6.5739","0.0001","13.1819","0.0001","18.6778","0.0001","90","","90","","90","","1618.55","0.03","150","","150","","","","","","","","Aakarsh Saxena and Hon Lam sample BC77E","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 F N2 O2 -","- C17 H19 F N2 O2 -","- C68 H76 F4 N8 O8 -","4","1","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54178","CuKα","","0.0233","0.023","","0.0456","0.0455","0.0456","","","","","","0.9967","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117979","9.6783","0.001","7.2752","0.0007","10.8776","0.0012","90","","108.221","0.007","90","","727.5","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H27 B O2 -","- C15 H27 B O2 -","- C30 H54 B2 O4 -","2","1","","Darryl D. Dixon; Jonathan W. Lockner; Qianghui Zhou; Phil S. Baran","Scalable, Divergent Synthesis of Meroterpenoids via ""Borono-sclareolide""","Journal of the American Chemical Society","2012","134","","8432","8435","10.1021/ja303937y","","","1.54178","CuKα","","0.0549","0.0538","","","0.1455","0.1473","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117980","7.5496","0.0002","11.4129","0.0003","17.1245","0.0004","90","","90","","90","","1475.5","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 B O2 -","- C15 H27 B O2 -","- C60 H108 B4 O8 -","4","1","","Darryl D. Dixon; Jonathan W. Lockner; Qianghui Zhou; Phil S. Baran","Scalable, Divergent Synthesis of Meroterpenoids via ""Borono-sclareolide""","Journal of the American Chemical Society","2012","134","","8432","8435","10.1021/ja303937y","","","1.54178","CuKα","","0.0389","0.0388","","","0.1012","0.1013","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117981","9.7979","0.0009","5.9478","0.0005","13.9756","0.0012","90","","94.997","0.001","90","","811.35","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H27 I O2 -","- C16 H27 I O2 -","- C32 H54 I2 O4 -","2","1","","Darryl D. Dixon; Jonathan W. Lockner; Qianghui Zhou; Phil S. Baran","Scalable, Divergent Synthesis of Meroterpenoids via ""Borono-sclareolide""","Journal of the American Chemical Society","2012","134","","8432","8435","10.1021/ja303937y","","","0.71073","MoKα","","0.0204","0.019","","","0.0463","0.0473","","","","","","1.016","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117982","7.7437","0.0008","10.4774","0.0011","9.3702","0.001","90","","94.759","0.004","90","","757.62","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","RJPC115","toste62","","- C19 H18 F N O -","- C19 H18 F N O -","- C38 H36 F2 N2 O2 -","2","1","","Robert J. Phipps; Kenichi Hiramatsu; F. Dean Toste","Asymmetric Fluorination of Enamides: Access to α-Fluoroimines Using an Anionic Chiral Phase-Transfer Catalyst","Journal of the American Chemical Society","2012","134","","8376","8379","10.1021/ja303959p","","","1.54178","CuKα","","0.0272","0.0271","","","0.0726","0.0726","","","","","","1.065","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4117983","8.1004","0.0003","9.5201","0.0003","18.1022","0.0007","78.606","0.002","77.336","0.003","77.1","0.002","1311.34","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H36 B N7 O Pt -","- C25 H36 B N7 O Pt -","- C50 H72 B2 N14 O2 Pt2 -","2","1","","Bryan E. Frauhiger; Matthew T. Ondisco; Peter S. White; Joseph L. Templeton","Seeking a Mechanistic Analogue of the Water-Gas Shift Reaction: Carboxamido Ligand Formation and Isocyanate Elimination from Complexes Containing the Tp'PtMe Fragment","Journal of the American Chemical Society","2012","134","","8902","8910","10.1021/ja301213j","","","1.54178","CuKα","","0.043","0.0403","","","0.1038","0.1051","","","","","","1.198","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117984","38.622","0.003","14.0053","0.0008","30.3354","0.0019","90","","97.022","0.002","90","","16285.7","1.9","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C134 H194 N4 O56 Ti17 -","- C134 H194 N4 O56 Ti17 -","- C536 H776 N16 O224 Ti68 -","4","0.5","","Robert C. Snoeberger; Karin J. Young; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Gary W. Brudvig; Philip Coppens; Victor, S. Batista; Jason B. Benedict","Interfacial Electron Transfer into Functionalized Crystalline Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","8911","8917","10.1021/ja301238t","","","0.71073","MoKα","","0.0657","0.0386","","","0.0913","0.1064","","","","","","1.056","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117985","12.40931","0.00014","14.52864","0.00016","27.6028","0.0003","90","","90","","90","","4976.52","0.1","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H24 B F4 Fe N5 S -","- C26 H24 B F4 Fe N5 S -","- C208 H192 B8 F32 Fe8 N40 S8 -","8","1","","Alison C. McQuilken; Yunbo Jiang; Maxime A. Siegler; David P. Goldberg","Addition of Dioxygen to an N4S(thiolate) Iron(II) Cysteine Dioxygenase Model Gives a Structurally Characterized Sulfinato-Iron(II) Complex","Journal of the American Chemical Society","2012","134","","8758","8761","10.1021/ja302112y","","","0.71073","MoKα","","0.0355","0.0297","","","0.0739","0.077","","","","","","1.051","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117986","9.3797","0.0003","18.0863","0.0005","15.6327","0.0004","90","","95.97","0.002","90","","2637.61","0.13","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Fe N5 O2 S2 -","- C25 H21 Fe N5 O2 S2 -","- C100 H84 Fe4 N20 O8 S8 -","4","1","","Alison C. McQuilken; Yunbo Jiang; Maxime A. Siegler; David P. Goldberg","Addition of Dioxygen to an N4S(thiolate) Iron(II) Cysteine Dioxygenase Model Gives a Structurally Characterized Sulfinato-Iron(II) Complex","Journal of the American Chemical Society","2012","134","","8758","8761","10.1021/ja302112y","","","0.71073","MoKα","","0.0673","0.0488","","","0.122","0.1284","","","","","","1.046","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117987","12.0642","0.0012","14.1822","0.0014","19.0245","0.0019","85.522","0.002","77.811","0.002","80.666","0.002","3136.3","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H42 B Cu F24 N4 -","- C64 H42 B Cu F24 N4 -","- C128 H84 B2 Cu2 F48 N8 -","2","1","","Conor S. Smith; Kent R. Mann","Exceptionally Long-Lived Luminescence from [Cu(I)(isocyanide)2(phen)]+ Complexes in Nanoporous Crystals Enables Remarkable Oxygen Gas Sensing","Journal of the American Chemical Society","2012","134","","8786","8789","10.1021/ja302807s","","","0.71073","MoKα","","0.0665","0.0426","","","0.1008","0.1167","","","","","","0.99","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117988","24.361","0.002","20.0178","0.0019","25.469","0.002","90","","106.88","0.002","90","","11884.9","1.8","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H45 B Cu F24 N3 -","- C61 H45 B Cu F24 N3 -","- C488 H360 B8 Cu8 F192 N24 -","8","2","","Conor S. Smith; Kent R. Mann","Exceptionally Long-Lived Luminescence from [Cu(I)(isocyanide)2(phen)]+ Complexes in Nanoporous Crystals Enables Remarkable Oxygen Gas Sensing","Journal of the American Chemical Society","2012","134","","8786","8789","10.1021/ja302807s","","","0.71073","MoKα","","0.1036","0.0472","","","0.0903","0.1161","","","","","","1.038","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117989","14.606","0.004","18.18","0.005","44.321","0.012","90","","90","","90","","11769","6","123","2","123","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C61 H45 B Cu F24 N3 -","- C61 H45 B Cu F24 N3 -","- C488 H360 B8 Cu8 F192 N24 -","8","0.5","","Conor S. Smith; Kent R. Mann","Exceptionally Long-Lived Luminescence from [Cu(I)(isocyanide)2(phen)]+ Complexes in Nanoporous Crystals Enables Remarkable Oxygen Gas Sensing","Journal of the American Chemical Society","2012","134","","8786","8789","10.1021/ja302807s","","","0.71073","MoKα","","0.1341","0.0609","","","0.1449","0.1997","","","","","","1.148","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117990","10.472","0.005","16.133","0.005","34.264","0.005","90","0.005","95.026","0.005","90","0.005","5766","3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H45 B Cu F24 N3 -","- C61 H45 B Cu F24 N3 -","- C244 H180 B4 Cu4 F96 N12 -","4","1","","Conor S. Smith; Kent R. Mann","Exceptionally Long-Lived Luminescence from [Cu(I)(isocyanide)2(phen)]+ Complexes in Nanoporous Crystals Enables Remarkable Oxygen Gas Sensing","Journal of the American Chemical Society","2012","134","","8786","8789","10.1021/ja302807s","","","0.71069","MoKα","","0.0731","0.0429","","","0.1006","0.1217","","","","","","1.043","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117991","14.4511","0.0016","14.9083","0.0017","15.8106","0.0018","103.855","0.002","91.899","0.002","105.897","0.002","3162.8","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H104 B2 Cu2 F48 N8 -","- C124 H104 B2 Cu2 F48 N8 -","- C124 H104 B2 Cu2 F48 N8 -","1","0.5","","Conor S. Smith; Kent R. Mann","Exceptionally Long-Lived Luminescence from [Cu(I)(isocyanide)2(phen)]+ Complexes in Nanoporous Crystals Enables Remarkable Oxygen Gas Sensing","Journal of the American Chemical Society","2012","134","","8786","8789","10.1021/ja302807s","","","0.71073","MoKα","","0.0629","0.0445","","","0.1059","0.1183","","","","","","1.018","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117992","10.081","0.001","11.1274","0.0011","19.0831","0.0019","90","","93.183","0.001","90","","2137.4","0.4","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C23 H21 B Cu F4 N3 -","- C23 H21 B Cu F4 N3 -","- C92 H84 B4 Cu4 F16 N12 -","4","1","","Conor S. Smith; Kent R. Mann","Exceptionally Long-Lived Luminescence from [Cu(I)(isocyanide)2(phen)]+ Complexes in Nanoporous Crystals Enables Remarkable Oxygen Gas Sensing","Journal of the American Chemical Society","2012","134","","8786","8789","10.1021/ja302807s","","","0.71073","MoKα","","0.0565","0.049","","","0.1242","0.1291","","","","","","1.091","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117993","13.2065","0.0015","11.7609","0.0013","13.2632","0.0015","90","","119.393","0.002","90","","1794.9","0.4","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H26 Cl N O2 S -","- C16 H26 Cl N O2 S -","- C64 H104 Cl4 N4 O8 S4 -","4","2","","Kohsuke Ohmatsu; Yuta Hamajima; Takashi Ooi","Catalytic Asymmetric Ring Openings of Meso and Terminal Aziridines with Halides Mediated by Chiral 1,2,3-Triazolium Silicates","Journal of the American Chemical Society","2012","134","","8794","8797","10.1021/ja3028668","","","0.71073","MoKα","","0.0555","0.0539","","","0.1502","0.1519","","","","","","1.024","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117994","7.587","0.0001","11.3799","0.0002","12.9699","0.0002","71.545","0.001","83.927","0.001","76.973","0.001","1034.17","0.03","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","Mattson 1866","","","- C21 H14 B F8 N3 O3 -","- C21 H14 B F8 N3 O3 -","- C42 H28 B2 F16 N6 O6 -","2","1","","Sonia S. So; Anita E. Mattson","Urea Activation of α-Nitrodiazoesters: An Organocatalytic Approach to N-H Insertion Reactions","Journal of the American Chemical Society","2012","134","","8798","8801","10.1021/ja3031054","","x-ray","0.71073","MoKα","","0.0595","0.0397","","","0.0965","0.1068","","","","","","1.058","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117995","11.515","0.004","19.977","0.007","15.19","0.005","90","","105.728","0.005","90","","3363","2","103.15","","103","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 F6 N O2 P2 Pd Sb -","- C28 H44 F6 N O2 P2 Pd Sb -","- C112 H176 F24 N4 O8 P8 Pd4 Sb4 -","4","1","","Brad P. Carrow; Kyoko Nozaki","Synthesis of Functional Polyolefins Using Cationic Bisphosphine Monoxide-Palladium Complexes","Journal of the American Chemical Society","2012","134","","8802","8805","10.1021/ja303507t","","","0.71075","MoKα","","0.0679","0.0596","","","0.1494","0.1608","","","","","","1.18","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117996","10.277","0.003","18.368","0.006","17.318","0.005","90","","92.988","0.005","90","","3264.6","1.7","103.15","","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H41 Cl7 O P2 Pd -","- C23 H41 Cl7 O P2 Pd -","- C92 H164 Cl28 O4 P8 Pd4 -","4","1","","Brad P. Carrow; Kyoko Nozaki","Synthesis of Functional Polyolefins Using Cationic Bisphosphine Monoxide-Palladium Complexes","Journal of the American Chemical Society","2012","134","","8802","8805","10.1021/ja303507t","","","0.71075","MoKα","","0.0463","0.0427","","","0.111","0.1147","","","","","","1.063","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117997","18.2294","0.0004","18.2294","0.0004","7.0465","0.0003","90","","90","","90","","2341.63","0.12","110","2","110","2","","","","","","","","4","I 41","I 4bw","80","","","","- C11 H15 Cl O3 -","- C11 H15 Cl O3 -","- C88 H120 Cl8 O24 -","8","1","","Jinhua Huang; Jessica R. Yang; Jin Zhang; Jiong Yang","Total Synthesis of the Potent cAMP Signaling Agonist (-)-Alotaketal A","Journal of the American Chemical Society","2012","134","","8806","8809","10.1021/ja303529z","","","1.54178","CuKα","","0.0414","0.039","","","0.0962","0.0974","","","","","","1.077","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117998","13.7289","0.0011","16.3711","0.0013","16.7915","0.0013","90","","101.316","0.001","90","","3700.6","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H41 Au F3 N5 O3 S -","- C34 H41 Au F3 N5 O3 S -","- C136 H164 Au4 F12 N20 O12 S4 -","4","1","","Dawei Wang; Rong Cai; Sripadh Sharma; James Jirak; Sravan K. Thummanapelli; Novruz G. Akhmedov; Hui Zhang; Xingbo Liu; Jeffrey L. Petersen; Xiaodong Shi","""Silver Effect"" in Gold(I) Catalysis: An Overlooked Important Factor","Journal of the American Chemical Society","2012","134","","9012","9019","10.1021/ja303862z","","","0.71073","MoKα","","0.0486","0.0418","","","0.1128","0.1205","","","","","","1.062","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117999","7.7837","0.0001","10.9032","0.0002","28.9411","0.0004","90","","90","","90","","2456.15","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H24 O2 -","- C11 H24 O2 -","- C88 H192 O16 -","8","2","","Xiaoyong Li; Carmin E. Burrell; Richard J. Staples; Babak Borhan","Absolute Configuration for 1,n-Glycols: A Nonempirical Approach to Long-Range Stereochemical Determination","Journal of the American Chemical Society","2012","134","","9026","9029","10.1021/ja2119767","","x-ray","0.71073","MoKα","","0.0555","0.0393","","","0.0808","0.0919","","","","","","1.016","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4118000","9.4357","0.0008","10.0619","0.0008","17.2986","0.0013","88.36","0.001","76.684","0.001","71.824","0.001","1516.8","0.2","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C14 H30.5 O2.25 -","- C14 H30.5 O2.25 -","- C56 H122 O9 -","4","4","","Xiaoyong Li; Carmin E. Burrell; Richard J. Staples; Babak Borhan","Absolute Configuration for 1,n-Glycols: A Nonempirical Approach to Long-Range Stereochemical Determination","Journal of the American Chemical Society","2012","134","","9026","9029","10.1021/ja2119767","","x-ray","0.71073","MoKα","","0.0728","0.0433","","","0.0965","0.1106","","","","","","0.983","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118001","7.3196","0.0004","22.0005","0.0012","8.5948","0.0005","90","","98.23","0.002","90","","1369.81","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","MOFO","bertozzi12","","- C16 H17 F O2 -","- C16 H17 F O2 -","- C64 H68 F4 O8 -","4","1","","Chelsea G. Gordon; Joel L. Mackey; John C. Jewett; Ellen M. Sletten; K. N. Houk; Carolyn R. Bertozzi","Reactivity of Biarylazacyclooctynones in Copper-Free Click Chemistry","Journal of the American Chemical Society","2012","134","","9199","9208","10.1021/ja3000936","","","1.54178","CuKα","","0.0436","0.0428","","","0.1064","0.1071","","","","","","1.074","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118002","7.0936","0.0004","6.4862","0.0003","24.4944","0.0012","90","","90.04","0.003","90","","1127","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","I_CGG_143","bertozzi08","","- C16 H11 N O -","- C16 H11 N O -","- C64 H44 N4 O4 -","4","1","","Chelsea G. Gordon; Joel L. Mackey; John C. Jewett; Ellen M. Sletten; K. N. Houk; Carolyn R. Bertozzi","Reactivity of Biarylazacyclooctynones in Copper-Free Click Chemistry","Journal of the American Chemical Society","2012","134","","9199","9208","10.1021/ja3000936","","","1.54178","CuKα","","0.0335","0.0302","","","0.0761","0.0784","","","","","","1.06","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118003","5.5553","0.0002","8.3543","0.0003","14.6808","0.0004","90","","95.758","0.002","90","","677.91","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","DIMAC","bertozzi05","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C26 H38 N2 O10 -","2","1","","Chelsea G. Gordon; Joel L. Mackey; John C. Jewett; Ellen M. Sletten; K. N. Houk; Carolyn R. Bertozzi","Reactivity of Biarylazacyclooctynones in Copper-Free Click Chemistry","Journal of the American Chemical Society","2012","134","","9199","9208","10.1021/ja3000936","","","1.54178","CuKα","","0.0331","0.0317","","","0.0828","0.0841","","","","","","1.035","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118004","8.2069","0.0002","12.1823","0.0004","14.7485","0.0004","96.544","0.001","95.01","0.001","93.412","0.001","1455.74","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","II-CGG-DIFO","bertozzi13","","- C17 H18 F2 O2 -","- C17 H18 F2 O2 -","- C68 H72 F8 O8 -","4","2","","Chelsea G. Gordon; Joel L. Mackey; John C. Jewett; Ellen M. Sletten; K. N. Houk; Carolyn R. Bertozzi","Reactivity of Biarylazacyclooctynones in Copper-Free Click Chemistry","Journal of the American Chemical Society","2012","134","","9199","9208","10.1021/ja3000936","","","1.54178","CuKα","","0.0413","0.0366","","","0.0979","0.1025","","","","","","1.045","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118005","9.2715","0.0018","10.938","0.002","16.787","0.003","90","","97.152","0.004","90","","1689.2","0.5","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","jongc03","Tp'Rh(CNneopentyl)(CCCMe3)Br","","- C31 H50 B Br N7 O Rh -","- C31 H50 B Br N7 O Rh -","- C62 H100 B2 Br2 N14 O2 Rh2 -","2","1","","Gyeongshin Choi; James Morris; William W. Brennessel; William D. Jones","C-H Activation of Terminal Alkynes by Tris-(3,5-dimethylpyrazolyl)boraterhodiumneopentylisocyanide: New Metal-Carbon Bond Strengths","Journal of the American Chemical Society","2012","134","","9276","9284","10.1021/ja301095r","","","0.71073","MoKα","","0.0774","0.0543","","","0.101","0.1092","","","","","","1.036","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118006","19.9666","0.0013","11.1947","0.0007","32.531","0.002","90","","90","","90","","7271.3","0.8","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","jongc04","Tp'Rh(CNneopentyl)(CCSiMe3)Cl","","- C32 H48 B Cl N7 Rh Si -","- C32 H48 B Cl N7 Rh Si -","- C256 H384 B8 Cl8 N56 Rh8 Si8 -","8","1","","Gyeongshin Choi; James Morris; William W. Brennessel; William D. Jones","C-H Activation of Terminal Alkynes by Tris-(3,5-dimethylpyrazolyl)boraterhodiumneopentylisocyanide: New Metal-Carbon Bond Strengths","Journal of the American Chemical Society","2012","134","","9276","9284","10.1021/ja301095r","","","0.71073","MoKα","","0.0891","0.046","","","0.1179","0.1293","","","","","","1.044","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118007","8.0127","0.0006","13.3358","0.001","13.9706","0.0011","90","","93.238","0.002","90","","1490.5","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","jongc02","Tp'Rh(CNneopentyl)(CCPh)Cl","","- C29 H38 B Cl N7 Rh -","- C29 H38 B Cl N7 Rh -","- C58 H76 B2 Cl2 N14 Rh2 -","2","0.5","","Gyeongshin Choi; James Morris; William W. Brennessel; William D. Jones","C-H Activation of Terminal Alkynes by Tris-(3,5-dimethylpyrazolyl)boraterhodiumneopentylisocyanide: New Metal-Carbon Bond Strengths","Journal of the American Chemical Society","2012","134","","9276","9284","10.1021/ja301095r","","","0.71073","MoKα","","0.0945","0.0551","","","0.1269","0.1457","","","","","","1.045","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118008","43.6263","0.0018","13.234","0.0007","13.8249","0.0007","90","","108.465","0.003","90","","7570.9","0.6","183","2","183","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C48 H24 Cd2 O12 -","- C48 H24 Cd2 O12 -","- C192 H96 Cd8 O48 -","4","1","","Marcela M. Wanderley; Cheng Wang; Chuan-De Wu; Wenbin Lin","A Chiral Porous Metal-Organic Framework for Highly Sensitive and Enantioselective Fluorescence Sensing of Amino Alcohols","Journal of the American Chemical Society","2012","134","","9050","9053","10.1021/ja302110d","","","0.71073","MoKα","","0.1866","0.1242","","","0.2607","0.2828","","","","","","0.866","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118009","14.951","0.002","16.424","0.002","17.657","0.002","90","","90","","90","","4335.8","0.9","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","Cp2Zr[N(t-Bu)SiHMe2]OTf","","","- C17 H26 F3 N O3 S Si Zr -","- C17 H26 F3 N O3 S Si Zr -","- C136 H208 F24 N8 O24 S8 Si8 Zr8 -","8","1","","KaKing Yan; Arkady Ellern; Aaron D. Sadow","Nonclassical β-Hydrogen Elimination of Hydrosilazido Zirconium Compounds via Direct Hydrogen Transfer","Journal of the American Chemical Society","2012","134","","9154","9156","10.1021/ja302226c","","","0.71073","MoKα","","0.0646","0.0337","","","0.0691","0.0806","","","","","","0.997","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118010","8.2232","0.0002","13.1668","0.0005","15.849","0.0005","90","","90","","90","","1716.02","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cp2Zr[N(SiHMe2)2]H","bis(cyclopentadienyl)hydrido[(t-butyl)dimethylsilylamido]zirconium","","- C14 H25 N Si2 Zr -","- C14 H25 N Si2 Zr -","- C56 H100 N4 Si8 Zr4 -","4","1","","KaKing Yan; Arkady Ellern; Aaron D. Sadow","Nonclassical β-Hydrogen Elimination of Hydrosilazido Zirconium Compounds via Direct Hydrogen Transfer","Journal of the American Chemical Society","2012","134","","9154","9156","10.1021/ja302226c","","","0.71073","MoKα","","0.0301","0.0286","","","0.0737","0.0748","","","","","","1.065","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118011","16.8361","0.0015","8.5923","0.0008","17.1866","0.0016","90","","100.354","0.001","90","","2445.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CpZr[C5H4SiMe2NSiHMe2][N(SiHMe2)Bu]","","","- C20 H38 N2 Si3 Zr -","- C20 H38 N2 Si3 Zr -","- C80 H152 N8 Si12 Zr4 -","4","1","","KaKing Yan; Arkady Ellern; Aaron D. Sadow","Nonclassical β-Hydrogen Elimination of Hydrosilazido Zirconium Compounds via Direct Hydrogen Transfer","Journal of the American Chemical Society","2012","134","","9154","9156","10.1021/ja302226c","","","0.71073","MoKα","","0.0486","0.0323","","","0.0711","0.0832","","","","","","1.069","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118012","7.8901","0.0007","11.4722","0.0011","12.9352","0.0012","90","","91.536","0.003","90","","1170.43","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N O6 -","- C10 H15 N O6 -","- C40 H60 N4 O24 -","4","2","","Kyle L. Kimmel; Jimmie D. Weaver; Melissa Lee; Jonathan A. Ellman","Catalytic Enantioselective Protonation of Nitronates Utilizing an Organocatalyst Chiral Only at Sulfur","Journal of the American Chemical Society","2012","134","","9058","9061","10.1021/ja3026196","","","1.54178","CuKα","","0.025","0.025","","","0.0682","0.0682","","","","","","1.026","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118013","9.4038","0.0009","15.5164","0.0015","11.0723","0.001","90","","102","0.002","90","","1580.3","0.3","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H33 Cl2 N3 Ni O12 -","- C30 H33 Cl2 N3 Ni O12 -","- C60 H66 Cl4 N6 Ni2 O24 -","2","1","","You-Yun Zhou; Li-Jia Wang; Jun Li; Xiu-Li Sun; Yong Tang","Side-Arm-Promoted Highly Enantioselective Ring-Opening Reactions and Kinetic Resolution of Donor-Acceptor Cyclopropanes with Amines","Journal of the American Chemical Society","2012","134","","9066","9069","10.1021/ja302691r","","","0.71073","MoKα","","0.0259","0.0242","","","0.0634","0.0644","","","","","","0.82","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118014","15.751","0.0012","15.1392","0.0014","9.5864","0.0007","90","","95.134","0.007","90","","2276.8","0.3","110","2","110","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30 H36 N2 O12 Zn2 -","- C22 H4 N2 O12 Zn2 -","- C44 H8 N4 O24 Zn4 -","2","0.25","","Sebastian Henke; Andreas Schneemann; Annika Wütscher; Roland A. Fischer","Directing the Breathing Behavior of Pillared-Layered Metal-Organic Frameworks via a Systematic Library of Functionalized Linkers Bearing Flexible Substituents","Journal of the American Chemical Society","2012","134","","9464","9474","10.1021/ja302991b","","","0.71073","MoKα","","0.1027","0.092","","","0.2396","0.2489","","","","","","1.057","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118015","14.264","0.006","16.41","0.004","9.547","0.005","90","","92.33","0.04","90","","2232.8","1.6","106","2","106","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H44 N2 O12 Zn2 -","- C22 H4 N2 O12 Zn2 -","- C44 H8 N4 O24 Zn4 -","2","0.25","","Sebastian Henke; Andreas Schneemann; Annika Wütscher; Roland A. Fischer","Directing the Breathing Behavior of Pillared-Layered Metal-Organic Frameworks via a Systematic Library of Functionalized Linkers Bearing Flexible Substituents","Journal of the American Chemical Society","2012","134","","9464","9474","10.1021/ja302991b","","","0.71073","MoKα","","0.1525","0.1374","","","0.3176","0.3328","","","","","","1.107","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118016","15.528","0.005","15.316","0.006","9.587","0.004","90","","96.04","0.03","90","","2267.4","1.5","107","2","107","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","DiP-DMOF","","","- C34 H44 N2 O12 Zn2 -","- C22 H4 N2 O12 Zn2 -","- C44 H8 N4 O24 Zn4 -","2","0.25","","Sebastian Henke; Andreas Schneemann; Annika Wütscher; Roland A. Fischer","Directing the Breathing Behavior of Pillared-Layered Metal-Organic Frameworks via a Systematic Library of Functionalized Linkers Bearing Flexible Substituents","Journal of the American Chemical Society","2012","134","","9464","9474","10.1021/ja302991b","","","0.71073","MoKα","","0.1739","0.1314","","","0.3193","0.3484","","","","","","1","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118017","10.9068","0.0005","10.9068","0.0005","9.5754","0.0007","90","","90","","90","","1139.07","0.11","110","2","110","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C38 H52 N2 O12 Zn2 -","- C22.08 N2 O12 Zn2 -","- C22.08 N2 O12 Zn2 -","1","0.0625","","Sebastian Henke; Andreas Schneemann; Annika Wütscher; Roland A. Fischer","Directing the Breathing Behavior of Pillared-Layered Metal-Organic Frameworks via a Systematic Library of Functionalized Linkers Bearing Flexible Substituents","Journal of the American Chemical Society","2012","134","","9464","9474","10.1021/ja302991b","","","0.71073","MoKα","","0.0602","0.0566","","","0.1545","0.1576","","","","","","1.129","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118018","10.898","0.003","10.898","0.003","9.591","0.004","90","","90","","90","","1139.1","0.6","108","2","108","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C34 H28 N2 O12 Zn2 -","- C22.08 N2 O12 Zn2 -","- C22.08 N2 O12 Zn2 -","1","0.0625","","Sebastian Henke; Andreas Schneemann; Annika Wütscher; Roland A. Fischer","Directing the Breathing Behavior of Pillared-Layered Metal-Organic Frameworks via a Systematic Library of Functionalized Linkers Bearing Flexible Substituents","Journal of the American Chemical Society","2012","134","","9464","9474","10.1021/ja302991b","","","0.71073","MoKα","","0.0959","0.0779","","","0.1989","0.2082","","","","","","1.175","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118019","9.8331","0.0003","12.3566","0.0004","16.8282","0.0006","90","","93.653","0.002","90","","2040.53","0.12","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl2 O3 S -","- C22 H20 Cl2 O3 S -","- C88 H80 Cl8 O12 S4 -","4","2","","Takahiro Nishimura; Yuka Takiguchi; Tamio Hayashi","Effect of Chiral Diene Ligands in Rhodium-Catalyzed Asymmetric Addition of Arylboronic Acids to α,β-Unsaturated Sulfonyl Compounds","Journal of the American Chemical Society","2012","134","","9086","9089","10.1021/ja303109q","","","1.54187","CuKα","","0.1778","0.099","","","0.2081","0.2776","","","","","","1.103","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118020","9.1879","0.0002","9.3561","0.0002","28.4317","0.0007","90","","90","","90","","2444.07","0.1","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C112 H96 O24 S8 -","8","2","","Takahiro Nishimura; Yuka Takiguchi; Tamio Hayashi","Effect of Chiral Diene Ligands in Rhodium-Catalyzed Asymmetric Addition of Arylboronic Acids to α,β-Unsaturated Sulfonyl Compounds","Journal of the American Chemical Society","2012","134","","9086","9089","10.1021/ja303109q","","","1.54187","CuKα","","0.0421","0.0353","","","0.0787","0.0833","","","","","","1.034","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118021","34.023","0.002","23.7143","0.0018","36.537","0.002","90","","94.386","0.002","90","","29393","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","2,4-dimethoxybenzylamine-derived pentameric iron(II) helicate","","","- C240 H234 Cl F45 Fe5 N37 O20 P7.5 -","- C240 H234 Cl F45 Fe5 N37 O20 P7.5 -","- C960 H936 Cl4 F180 Fe20 N148 O80 P30 -","4","1","","Jean-François Ayme; Jonathon E. Beves; David A. Leigh; Roy T. McBurney; Kari Rissanen; David Schultz","Pentameric Circular Iron(II) Double Helicates and a Molecular Pentafoil Knot","Journal of the American Chemical Society","2012","134","","9488","9497","10.1021/ja303355v","","x-ray","1.54178","CuKα","","0.1561","0.1392","","","0.3627","0.3835","","","","","","1.411","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118022","13.484","0.001","13.484","0.001","9.799","0.001","90","","90","","90","","1781.6","0.3","200","2","200","2","","","","","","","","5","P 4 n c","P 4 -2n","104","[TcNCl(LMe)4]Cl","Tetrakis(1,3,4,5-tetramethylimidazol-2-ylidene)nitridotechnetium(V) chloride","","- C28 H48 Cl2 N9 Tc -","- C28 H48 Cl2.04 N9 Tc -","- C56 H96 Cl4.08 N18 Tc2 -","2","0.25","","Elisabeth Oehlke; Shushu Kong; Pawel Arciszewski; Swantje Wiebalck; Ulrich Abram","Aryl and NHC Compounds of Technetium and Rhenium","Journal of the American Chemical Society","2012","134","","9118","9121","10.1021/ja3033718","","","0.71073","MoKα","","0.106","0.0671","","","0.1745","0.2092","","","","","","0.69","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118023","9.984","0.001","13.382","0.001","18.572","0.002","105.39","0.01","93.52","0.01","99.12","0.01","2348.1","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","TcNPh2(PPh3)2","Nitridodiphenylbis(triphenylphosphine)technetium(V) tetrahydrofuran solvate","","- C56 H56 N O2 P2 Tc -","- C56 H56 N O2 P2 Tc -","- C112 H112 N2 O4 P4 Tc2 -","2","1","","Elisabeth Oehlke; Shushu Kong; Pawel Arciszewski; Swantje Wiebalck; Ulrich Abram","Aryl and NHC Compounds of Technetium and Rhenium","Journal of the American Chemical Society","2012","134","","9118","9121","10.1021/ja3033718","","","0.71073","MoKα","","0.1245","0.0545","","","0.1002","0.1242","","","","","","0.788","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118024","9.972","0.001","13.37","0.001","18.605","0.001","105.33","0.01","93.65","0.01","99.08","0.01","2347.8","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","[ReNPh2(PPh3)2] . 2 THF","Nitridodiphenylbis(triphenylphosphine)rhenium(V) tetrahydrofuran solvate","","- C56 H56 N O2 P2 Re -","- C56 H56 N O2 P2 Re -","- C112 H112 N2 O4 P4 Re2 -","2","1","","Elisabeth Oehlke; Shushu Kong; Pawel Arciszewski; Swantje Wiebalck; Ulrich Abram","Aryl and NHC Compounds of Technetium and Rhenium","Journal of the American Chemical Society","2012","134","","9118","9121","10.1021/ja3033718","","","0.71073","MoKα","","0.0898","0.0453","","","0.0826","0.0967","","","","","","0.867","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118025","18.331","0.002","9.233","0.002","27.035","0.002","90","","99.5","0.01","90","","4512.9","1.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[TcN(HLPh)2Ph2]","Bis(1,3,4-Triphenyl-1,2,4-triazol-5-yliden)nitridodiphenyl- technetium(V) benzene solvate","","- C58 H46 N7 Tc -","- C58 H46 N7 Tc -","- C232 H184 N28 Tc4 -","4","0.5","","Elisabeth Oehlke; Shushu Kong; Pawel Arciszewski; Swantje Wiebalck; Ulrich Abram","Aryl and NHC Compounds of Technetium and Rhenium","Journal of the American Chemical Society","2012","134","","9118","9121","10.1021/ja3033718","","","0.71073","MoKα","","0.1259","0.0509","","","0.0711","0.0889","","","","","","0.828","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118026","12.383","0.001","16.239","0.001","21.731","0.002","90","","121.27","0.01","90","","3735","0.6","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[ReNPh(LPh)(LPh-H)]","Diphenyl(1,3,4-Triphenyl-1,2,4-triazol-5-yliden-C)(1,3,4-Triphenyl-1,2,4- triazol-5-ylidenato-C,C)nitridotechnetium(V)","","- C46 H34 N7 Re -","- C46 H34 N7 Re -","- C184 H136 N28 Re4 -","4","1","","Elisabeth Oehlke; Shushu Kong; Pawel Arciszewski; Swantje Wiebalck; Ulrich Abram","Aryl and NHC Compounds of Technetium and Rhenium","Journal of the American Chemical Society","2012","134","","9118","9121","10.1021/ja3033718","","","0.71073","MoKα","","0.1632","0.0523","","","0.0679","0.0895","","","","","","0.776","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118027","5.6768","0.0002","9.5536","0.0003","21.6728","0.0007","90","","92.523","0.002","90","","1174.26","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","2","","Junwon Choi; Gregory C. Fu","Catalytic Asymmetric Synthesis of Secondary Nitriles via Stereoconvergent Negishi Arylations and Alkenylations of Racemic α-Bromonitriles","Journal of the American Chemical Society","2012","134","","9102","9105","10.1021/ja303442q","","","1.54178","CuKα","","0.0326","0.0326","","","0.0841","0.0842","","","","","","1.053","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118028","14.4823","0.0005","32.2596","0.001","14.5199","0.0005","90","","104.76","0.002","90","","6559.7","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O -","- C20 H23 N O -","- C320 H368 N16 O16 -","16","8","","Junwon Choi; Gregory C. Fu","Catalytic Asymmetric Synthesis of Secondary Nitriles via Stereoconvergent Negishi Arylations and Alkenylations of Racemic α-Bromonitriles","Journal of the American Chemical Society","2012","134","","9102","9105","10.1021/ja303442q","","","1.54178","CuKα","","0.0421","0.0405","","","0.1032","0.1066","","","","","","1.065","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118029","8.444","0.0003","15.9411","0.0005","24.0848","0.0007","97.948","0.001","94.371","0.001","90.02","0.001","3201.3","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H30 F6 N2 O4 Rh S Sb -","- C30 H30 F6 N2 O4 Rh S Sb -","- C120 H120 F24 N8 O16 Rh4 S4 Sb4 -","4","2","","Ji Young Kim; Sae Hume Park; Jaeyune Ryu; Seung Hwan Cho; Seok Hwan Kim; Sukbok Chang","Rhodium-Catalyzed Intermolecular Amidation of Arenes with Sulfonyl Azides via Chelation-Assisted C-H Bond Activation","Journal of the American Chemical Society","2012","134","","9110","9113","10.1021/ja303527m","","","0.71073","mokα","","0.0789","0.0591","","","0.1611","0.1748","","","","","","0.953","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118030","10.844","0.005","13.658","0.007","13.066","0.007","90","","109.313","0.01","90","","1826.3","1.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C84 H104 N8 O12 -","4","1","","Weiwei Zi; Weiqing Xie; Dawei Ma","Total Synthesis of Akuammiline Alkaloid (-)-Vincorine via Intramolecular Oxidative Coupling","Journal of the American Chemical Society","2012","134","","9126","9129","10.1021/ja303602f","","","0.71073","MoKα","","0.0763","0.0572","","","0.1512","0.1679","","","","","","1.029","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118031","13.411","0.005","21.868","0.008","16.401","0.006","90","","107.83","0.002","90","","4579","3","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H12 B Br3 S3 -","- C24 H12 B Br3 S3 -","- C192 H96 B8 Br24 S24 -","8","2","","Shohei Saito; Kyohei Matsuo; Shigehiro Yamaguchi","Polycyclic π-Electron System with Boron at Its Center","Journal of the American Chemical Society","2012","134","","9130","9133","10.1021/ja3036042","","","0.7107","MoKα","","0.1333","0.1206","","","0.2761","0.2849","","","","","","1.146","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118032","8.5696","0.0014","13.162","0.002","38.189","0.006","90","","95.0096","0.0007","90","","4291","1.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H51 B O2 S2 -","- C56 H51 B O2 S2 -","- C224 H204 B4 O8 S8 -","4","1","","Shohei Saito; Kyohei Matsuo; Shigehiro Yamaguchi","Polycyclic π-Electron System with Boron at Its Center","Journal of the American Chemical Society","2012","134","","9130","9133","10.1021/ja3036042","","","0.7107","MoKα","","0.0441","0.0411","","","0.1038","0.1063","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118033","18.9618","0.0004","19.2127","0.0001","20.7603","0.0001","74.793","0.012","73.353","0.012","62.6114","0.001","6357.7","0.4","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C142.64 H154.28 B2 F2 K2 N4 O16 S4 -","- C142.647 H154.291 B2 F2 K2 N4 O16 S4 -","- C285.294 H308.582 B4 F4 K4 N8 O32 S8 -","2","1","","Shohei Saito; Kyohei Matsuo; Shigehiro Yamaguchi","Polycyclic π-Electron System with Boron at Its Center","Journal of the American Chemical Society","2012","134","","9130","9133","10.1021/ja3036042","","","0.7107","MoKα","","0.1783","0.1107","","","0.2914","0.3887","","","","","","1.141","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118034","17.584","0.007","20.312","0.008","26.769","0.01","90","","97.955","0.0014","90","","9469","6","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H38 B2 Cl2 S4 -","- C62 H38 B2 Cl2 S4 -","- C496 H304 B16 Cl16 S32 -","8","2","","Shohei Saito; Kyohei Matsuo; Shigehiro Yamaguchi","Polycyclic π-Electron System with Boron at Its Center","Journal of the American Chemical Society","2012","134","","9130","9133","10.1021/ja3036042","","","0.7107","MoKα","","0.1354","0.1048","","","0.2376","0.2569","","","","","","1.187","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118035","10.4836","0.001","12.017","0.0012","13.9089","0.0013","78.881","0.004","78.768","0.004","67.199","0.005","1571","0.3","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H44 Au O P -","- C38 H44 Au O P -","- C76 H88 Au2 O2 P2 -","2","1","","Timothy J. Brown; Dieter Weber; Michel R. Gagné; Ross A. Widenhoefer","Mechanistic Analysis of Gold(I)-Catalyzed Intramolecular Allene Hydroalkoxylation Reveals an Off-Cycle Bis(gold) Vinyl Species and Reversible C-O Bond Formation","Journal of the American Chemical Society","2012","134","","9134","9137","10.1021/ja303844h","","","0.71073","MoKα","","0.0516","0.0415","","","0.1061","0.1167","","","","","","1.119","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118036","42.382","0.002","42.382","0.002","42.382","0.002","90","","90","","90","","76128","6","205","2","205","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- C150 H168 Ag6 B6 Cl24 F24 N24 S6 -","- C138 H144 Ag6 B6 F24 N24 S6 -","- C2208 H2304 Ag96 B96 F384 N384 S96 -","16","0.166667","","Irene Bassanetti; Francesco Mezzadri; Angiolina Comotti; Piero Sozzani; Marcello Gennari; Gianluca Calestani; Luciano Marchiò","Influence of Anions in Silver Supramolecular Frameworks: Structural Characteristics and Sorption Properties.","Journal of the American Chemical Society","2012","134","","9142","9145","10.1021/ja303940d","","","0.71073","MoKα","","0.0781","0.0437","","","0.1046","0.1111","","","","","","1.008","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118037","42.99","0.009","42.99","0.009","42.99","0.009","90","","90","","90","","79452","3","205","2","205","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- C180 H240 Ag6 F36 N24 O12 P6 S6 -","- C138 H144 Ag6 F36 N24 P6 S6 -","- C2208 H2304 Ag96 F576 N384 P96 S96 -","16","0.166667","","Irene Bassanetti; Francesco Mezzadri; Angiolina Comotti; Piero Sozzani; Marcello Gennari; Gianluca Calestani; Luciano Marchiò","Influence of Anions in Silver Supramolecular Frameworks: Structural Characteristics and Sorption Properties.","Journal of the American Chemical Society","2012","134","","9142","9145","10.1021/ja303940d","","","0.71073","MoKα","","0.1156","0.0428","","","0.1033","0.1086","","","","","","1.005","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118038","29.434","0.001","29.434","0.001","22.407","0.001","90","","90","","120","","16811.7","1.1","205","2","205","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C204 H268 Ag6 F18 N24 O30 S12 -","- C203.94 H267.9 Ag6 F18 N24 O30 S12 -","- C611.82 H803.7 Ag18 F54 N72 O90 S36 -","3","0.166667","","Irene Bassanetti; Francesco Mezzadri; Angiolina Comotti; Piero Sozzani; Marcello Gennari; Gianluca Calestani; Luciano Marchiò","Influence of Anions in Silver Supramolecular Frameworks: Structural Characteristics and Sorption Properties.","Journal of the American Chemical Society","2012","134","","9142","9145","10.1021/ja303940d","","","0.71073","MoKα","","0.1026","0.0505","","","0.1291","0.1497","","","","","","1.002","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118039","29.821","0.005","29.821","0.005","20.416","0.003","90","","90","","120","","15723","4","190","2","190","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C162 H196 Ag6 Cl24 N30 O18 S6 -","- C138 H144 Ag6 N30 O18 S6 -","- C414 H432 Ag18 N90 O54 S18 -","3","0.166667","","Irene Bassanetti; Francesco Mezzadri; Angiolina Comotti; Piero Sozzani; Marcello Gennari; Gianluca Calestani; Luciano Marchiò","Influence of Anions in Silver Supramolecular Frameworks: Structural Characteristics and Sorption Properties.","Journal of the American Chemical Society","2012","134","","9142","9145","10.1021/ja303940d","","","0.71073","MoKα","","0.0889","0.0464","","","0.1067","0.1165","","","","","","1.001","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118040","41.603","0.003","41.603","0.003","41.603","0.003","90","","90","","90","","72007","9","190","2","190","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- C150 H168 B6 Cl24 Cu6 F24 N24 S6 -","- C138 H144 B5 Cu6 F24 N24 S6 -","- C2208 H2304 B80 Cu96 F384 N384 S96 -","16","0.166667","","Irene Bassanetti; Francesco Mezzadri; Angiolina Comotti; Piero Sozzani; Marcello Gennari; Gianluca Calestani; Luciano Marchiò","Influence of Anions in Silver Supramolecular Frameworks: Structural Characteristics and Sorption Properties.","Journal of the American Chemical Society","2012","134","","9142","9145","10.1021/ja303940d","","","0.71073","MoKα","","0.14","0.0594","","","0.1142","0.1243","","","","","","1.002","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118041","31.246","0.009","10.8069","0.0017","35.036","0.007","90","","90","","90","","11831","5","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[Cu(pytren-a)](ClO4)2","","","- C28 H33 Cl2 Cu N5 O8 -","- C28 H33 Cl2 Cu N5 O8 -","- C448 H528 Cl32 Cu16 N80 O128 -","16","4","","Mario Inclán; M. Teresa Albelda; Juan C. Frías; Salvador Blasco; Begoña Verdejo; Carolina Serena; Clàudia Salat-Canela; Maria Luisa Díaz; Antonio García-España; Enrique García-España","Modulation of DNA Binding by Reversible Metal-Controlled Molecular Reorganizations of Scorpiand-like Ligands","Journal of the American Chemical Society","2012","134","","9644","9656","10.1021/ja300538s","","","0.71073","MoKα","","0.3494","0.1197","","","0.226","0.2866","","","","","","0.755","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118042","17.3147","0.0007","12.8809","0.0009","21.1273","0.0011","90","","90","","90","","4712","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Cu(pytren-al)](ClO4)2","","","- C16 H30 Cl2 Cu N6 O8 -","- C16 H30 Cl2 Cu N6 O8 -","- C128 H240 Cl16 Cu8 N48 O64 -","8","1","","Mario Inclán; M. Teresa Albelda; Juan C. Frías; Salvador Blasco; Begoña Verdejo; Carolina Serena; Clàudia Salat-Canela; Maria Luisa Díaz; Antonio García-España; Enrique García-España","Modulation of DNA Binding by Reversible Metal-Controlled Molecular Reorganizations of Scorpiand-like Ligands","Journal of the American Chemical Society","2012","134","","9644","9656","10.1021/ja300538s","","","0.71073","MoKα","","0.2335","0.1075","","","0.2313","0.3395","","","","","","1.004","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118043","12.9833","0.0004","14.3872","0.0004","15.1944","0.0004","90","","90","","90","","2838.21","0.14","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H22 F6 P2 -","- C9 H22 F6 P2 -","- C72 H176 F48 P16 -","8","1","","Liyu Jin; Kate M. Nairn; Craig M. Forsyth; Aaron J. Seeber; Douglas R. MacFarlane; Patrick C. Howlett; Maria Forsyth; Jennifer M. Pringle","Structure and Transport Properties of a Plastic Crystal Ion Conductor: Diethyl(methyl)(isobutyl)phosphonium Hexafluorophosphate","Journal of the American Chemical Society","2012","134","","9688","9697","10.1021/ja301175v","","","0.71073","MoKα","","0.0537","0.0366","","","0.0878","0.0976","","","","","","1.045","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118044","7.9668","0.0002","9.1543","0.0002","13.347","0.0003","89.801","0.001","78.816","0.001","71.954","0.001","906.27","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 N O2 S -","- C20 H25 N O2 S -","- C40 H50 N2 O4 S2 -","2","1","","Chung-Yang (Dennis) Huang; Abigail G. Doyle","Nickel-Catalyzed Negishi Alkylations of Styrenyl Aziridines","Journal of the American Chemical Society","2012","134","","9541","9544","10.1021/ja3013825","","","1.54178","CuKα","","0.0392","0.0391","","","0.0932","0.0934","","","","","","1.341","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118045","10.938","0.005","5.438","0.005","16.031","0.005","90","","109.371","0.005","90","","899.6","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H25 N O2 S -","- C19 H25 N O2 S -","- C38 H50 N2 O4 S2 -","2","1","","Chung-Yang (Dennis) Huang; Abigail G. Doyle","Nickel-Catalyzed Negishi Alkylations of Styrenyl Aziridines","Journal of the American Chemical Society","2012","134","","9541","9544","10.1021/ja3013825","","","1.54184","CuKα","","0.0295","0.0294","","","0.0789","0.0789","","","","","","1.038","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118046","28.212","0.003","23.516","0.003","27.828","0.003","90","","93.5886","0.0012","90","","18426","4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","NiSn9-cluster","NiSn9-cluster","","- C121 H248 K6 N18 Ni2 O36 Sn18 -","- C121 H248 K6 N18 Ni2 O36 Sn18 -","- C484 H992 K24 N72 Ni8 O144 Sn72 -","4","1","","F. Sanem Kocak; Domonique O. Downing; Peter Zavalij; Yiu-Fai Lam; Andrei N. Vedernikov; Bryan Eichhorn","Surprising Acid/Base and Ion-Sequestration Chemistry of Sn94-: HSn93-, Ni@HSn93-, and the Sn93- Ion Revisited","Journal of the American Chemical Society","2012","134","","9733","9740","10.1021/ja3018797","","","0.71073","MoKα","","0.0619","0.0417","","","0.0902","0.0961","","","","","","1.066","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118047","13.9891","0.0015","14.8896","0.0016","22.004","0.002","89.391","0.002","79.589","0.002","78.861","0.002","4421.5","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","S9-cluster","S9-cluster","","- C57 H120 K3 N9 O18 Sn9 -","- C57.153 H116.264 K3 N8.962 O18 Sn9 -","- C114.306 H232.528 K6 N17.924 O36 Sn18 -","2","1","","F. Sanem Kocak; Domonique O. Downing; Peter Zavalij; Yiu-Fai Lam; Andrei N. Vedernikov; Bryan Eichhorn","Surprising Acid/Base and Ion-Sequestration Chemistry of Sn94-: HSn93-, Ni@HSn93-, and the Sn93- Ion Revisited","Journal of the American Chemical Society","2012","134","","9733","9740","10.1021/ja3018797","","","0.71073","MoKα","","0.045","0.0345","","","0.0699","0.0728","","","","","","1","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118048","11.7258","0.0004","15.4489","0.0006","16.7107","0.0006","106.787","0.002","98.064","0.002","107.788","0.002","2671.5","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1a","","","- C35 H30 Mn1.5 N O12 -","- C35 H30 Mn1.5 N O12 -","- C70 H60 Mn3 N2 O24 -","2","1","","Jian Tian; Laxmikant V. Saraf; Birgit Schwenzer; Stephanie M. Taylor; Euan K. Brechin; Jun Liu; Scott J. Dalgarno; Praveen K. Thallapally","Selective Metal Cation Capture by Soft Anionic Metal-Organic Frameworks via Drastic Single-Crystal-to-Single-Crystal Transformations","Journal of the American Chemical Society","2012","134","","9581","9584","10.1021/ja303092m","","","0.71073","MoKα","","0.0886","0.0677","","","0.1966","0.2062","","","","","","1.341","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118049","12.6583","0.0008","15.5409","0.001","16.4094","0.001","108.446","0.004","98.651","0.003","109.526","0.003","2765.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1a_Cu","","","- C33 H24 Cu1.5 Mn0.5 O13 -","- C33 H24 Cu1.5 Mn0.5 O13 -","- C66 H48 Cu3 Mn O26 -","2","1","","Jian Tian; Laxmikant V. Saraf; Birgit Schwenzer; Stephanie M. Taylor; Euan K. Brechin; Jun Liu; Scott J. Dalgarno; Praveen K. Thallapally","Selective Metal Cation Capture by Soft Anionic Metal-Organic Frameworks via Drastic Single-Crystal-to-Single-Crystal Transformations","Journal of the American Chemical Society","2012","134","","9581","9584","10.1021/ja303092m","","","0.71073","MoKα","","0.1375","0.0829","","","0.2076","0.2237","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118050","13.4319","0.0004","16.216","0.0004","16.2911","0.0004","108.099","0.001","102.652","0.002","106.188","0.002","3052.14","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1b","","","- C33 H24 Mn1.5 O12.5 -","- C33 H24 Mn1.5 O12.5 -","- C66 H48 Mn3 O25 -","2","1","","Jian Tian; Laxmikant V. Saraf; Birgit Schwenzer; Stephanie M. Taylor; Euan K. Brechin; Jun Liu; Scott J. Dalgarno; Praveen K. Thallapally","Selective Metal Cation Capture by Soft Anionic Metal-Organic Frameworks via Drastic Single-Crystal-to-Single-Crystal Transformations","Journal of the American Chemical Society","2012","134","","9581","9584","10.1021/ja303092m","","","0.71073","MoKα","","0.0971","0.0673","","","0.187","0.1987","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118051","12.6594","0.0004","15.0271","0.0005","17.0317","0.0006","108.009","0.002","101.05","0.002","106.05","0.002","2821.74","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2","","","- C33 H24 Co1.5 Mn0.5 O13 -","- C33 H24 Co1.5 Mn0.5 O13 -","- C66 H48 Co3 Mn O26 -","2","1","","Jian Tian; Laxmikant V. Saraf; Birgit Schwenzer; Stephanie M. Taylor; Euan K. Brechin; Jun Liu; Scott J. Dalgarno; Praveen K. Thallapally","Selective Metal Cation Capture by Soft Anionic Metal-Organic Frameworks via Drastic Single-Crystal-to-Single-Crystal Transformations","Journal of the American Chemical Society","2012","134","","9581","9584","10.1021/ja303092m","","","0.71073","MoKα","","0.0778","0.0592","","","0.1822","0.191","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118052","16.6187","0.0007","15.6802","0.0006","16.8631","0.0007","109.215","0.002","98.782","0.002","114.858","0.002","3541.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","3","","","- C33 H24 Mn0.5 Ni1.5 O16 -","- C33 H24 Mn0.5 Ni1.5 O16 -","- C66 H48 Mn Ni3 O32 -","2","1","","Jian Tian; Laxmikant V. Saraf; Birgit Schwenzer; Stephanie M. Taylor; Euan K. Brechin; Jun Liu; Scott J. Dalgarno; Praveen K. Thallapally","Selective Metal Cation Capture by Soft Anionic Metal-Organic Frameworks via Drastic Single-Crystal-to-Single-Crystal Transformations","Journal of the American Chemical Society","2012","134","","9581","9584","10.1021/ja303092m","","","0.71073","MoKα","","0.1299","0.0789","","","0.1994","0.2168","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118053","7.4936","0.0007","12.4907","0.0011","19.9825","0.0018","90","","90","","90","","1870.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O -","- C21 H30 N2 O -","- C84 H120 N8 O4 -","4","1","","Cheng Zhang; Xin-Hu Hu; Ya-Hui Wang; Zhuo Zheng; Jie Xu; Xiang-Ping Hu","Highly Diastereo- and Enantioselective Cu-Catalyzed [3 + 3] Cycloaddition of Propargyl Esters with Cyclic Enamines toward Chiral Bicyclo[n.3.1] Frameworks","Journal of the American Chemical Society","2012","134","","9585","9588","10.1021/ja303129s","","","0.71073","MoKα","","0.0504","0.0403","","","0.1172","0.1255","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118054","11.4605","0.0006","10.9335","0.0006","13.1568","0.0007","90","","111.428","0.003","90","","1534.64","0.15","273","2","273","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H29 Cl3 Cu Fe N2 P -","- C31 H29 Cl3 Cu Fe N2 P -","- C62 H58 Cl6 Cu2 Fe2 N4 P2 -","2","1","","Cheng Zhang; Xin-Hu Hu; Ya-Hui Wang; Zhuo Zheng; Jie Xu; Xiang-Ping Hu","Highly Diastereo- and Enantioselective Cu-Catalyzed [3 + 3] Cycloaddition of Propargyl Esters with Cyclic Enamines toward Chiral Bicyclo[n.3.1] Frameworks","Journal of the American Chemical Society","2012","134","","9585","9588","10.1021/ja303129s","","","0.71073","MoKα","","0.0343","0.0309","","","0.0762","0.0783","","","","","","1.026","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118055","12.555","0.003","12.872","0.003","19.641","0.004","90","","92.52","0.003","90","","3171.1","1.2","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 O2 Zn2 -","- C38 H40 O2 Zn2 -","- C152 H160 O8 Zn8 -","4","0.5","","Crispin Lichtenberg; Julien Engel; Thomas P. Spaniol; Ulli Englert; Gerhard Raabe; Jun Okuda","Bis(allyl)zinc Revisited: Sigma versus Pi Bonding of Allyl Coordination","Journal of the American Chemical Society","2012","134","","9805","9811","10.1021/ja303480a","","","0.71073","MoKα","","0.0901","0.0532","","","0.1123","0.126","","","","","","1.013","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118056","10.4865","0.0012","10.4865","0.0012","5.8982","0.0007","90","","90","","90","","648.61","0.13","130","2","130","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C6 H10 Zn -","- C6 H10 Zn -","- C24 H40 Zn4 -","4","0.25","","Crispin Lichtenberg; Julien Engel; Thomas P. Spaniol; Ulli Englert; Gerhard Raabe; Jun Okuda","Bis(allyl)zinc Revisited: Sigma versus Pi Bonding of Allyl Coordination","Journal of the American Chemical Society","2012","134","","9805","9811","10.1021/ja303480a","","","0.71073","MoKα","","0.0185","0.0165","","","0.0426","0.044","","","","","","1.143","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118057","12.9741","0.001","16.3265","0.0013","20.2437","0.0016","90","","111.516","0.001","90","","3989.2","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H52 Cl6 O Zn6 -","- C28 H52 Cl6 O Zn6 -","- C112 H208 Cl24 O4 Zn24 -","4","0.5","","Crispin Lichtenberg; Julien Engel; Thomas P. Spaniol; Ulli Englert; Gerhard Raabe; Jun Okuda","Bis(allyl)zinc Revisited: Sigma versus Pi Bonding of Allyl Coordination","Journal of the American Chemical Society","2012","134","","9805","9811","10.1021/ja303480a","","","0.71073","MoKα","","0.0344","0.0267","","","0.0528","0.0542","","","","","","0.929","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118058","22.206","0.003","18.651","0.003","23.766","0.005","90","","97.375","0.011","90","","9762","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C57 H39 B F15 N O2 S -","- C57 H39 B F15 N O2 S -","- C456 H312 B8 F120 N8 O16 S8 -","8","1","","Andrey Y. Khalimon; Warren E. Piers; James M. Blackwell; David J. Michalak; Masood Parvez","A Photo Lewis Acid Generator (PhLAG): Controlled Photorelease of B(C6F5)3","Journal of the American Chemical Society","2012","134","","9601","9604","10.1021/ja3042977","","","0.71073","MoKα","","0.0882","0.0637","","","0.129","0.1419","","","","","","1.15","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118059","14.038","0.004","39.25","0.011","14.581","0.004","90","","102.03","0.004","90","","7858","4","140","1","140","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H95 Cl N2 O3 P3 U -","- C78 H79 Cl N2 O3 P3 U -","- C312 H316 Cl4 N8 O12 P12 U4 -","4","1","","Robert E. Jilek; Liam P. Spencer; Richard A. Lewis; Brian L. Scott; Trevor W. Hayton; James M. Boncella","A Direct Route to Bis(imido)uranium(V) Halides via Metathesis of Uranium Tetrachloride","Journal of the American Chemical Society","2012","134","","9876","9878","10.1021/ja2108432","","","0.71073","MoKα","","0.0862","0.0542","","","0.1223","0.136","","","","","","0.971","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118060","15.2619","0.0013","20.2744","0.0017","18.7925","0.0015","90","","102.554","0.001","90","","5675.9","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","apx1169","","","- C60 H82 Cl N6 U -","- C60 H82 Cl N6 U -","- C240 H328 Cl4 N24 U4 -","4","1","","Robert E. Jilek; Liam P. Spencer; Richard A. Lewis; Brian L. Scott; Trevor W. Hayton; James M. Boncella","A Direct Route to Bis(imido)uranium(V) Halides via Metathesis of Uranium Tetrachloride","Journal of the American Chemical Society","2012","134","","9876","9878","10.1021/ja2108432","","","0.71073","MoKα","","0.0669","0.0386","","","0.0774","0.0875","","","","","","0.998","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118061","15.2445","0.0017","20.288","0.002","18.833","0.002","90","","102.641","0.001","90","","5683.5","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","apx1179","","","- C60 H82 Br N6 U -","- C60 H82 Br N6 U -","- C240 H328 Br4 N24 U4 -","4","1","","Robert E. Jilek; Liam P. Spencer; Richard A. Lewis; Brian L. Scott; Trevor W. Hayton; James M. Boncella","A Direct Route to Bis(imido)uranium(V) Halides via Metathesis of Uranium Tetrachloride","Journal of the American Chemical Society","2012","134","","9876","9878","10.1021/ja2108432","","","0.71073","MoKα","","0.0941","0.0491","","","0.0962","0.1108","","","","","","1.016","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118062","14.3846","0.0017","26.537","0.003","18.94","0.002","90","","111.944","0.001","90","","6706","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","apx1206","","","- C60 H82 I N6 U -","- C60 H82 I N6 U -","- C240 H328 I4 N24 U4 -","4","1","","Robert E. Jilek; Liam P. Spencer; Richard A. Lewis; Brian L. Scott; Trevor W. Hayton; James M. Boncella","A Direct Route to Bis(imido)uranium(V) Halides via Metathesis of Uranium Tetrachloride","Journal of the American Chemical Society","2012","134","","9876","9878","10.1021/ja2108432","","","0.71073","MoKα","","0.0812","0.0474","","","0.1018","0.1117","","","","","","0.933","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118063","14.5626","0.0011","23.1936","0.0018","36.78","0.003","90","","90","","90","","12422.8","1.7","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","apx1346","","","- C54 H63 Br Cl I3 N6 U -","- C54 H63 Br Cl I3 N6 U -","- C432 H504 Br8 Cl8 I24 N48 U8 -","8","1","","Robert E. Jilek; Liam P. Spencer; Richard A. Lewis; Brian L. Scott; Trevor W. Hayton; James M. Boncella","A Direct Route to Bis(imido)uranium(V) Halides via Metathesis of Uranium Tetrachloride","Journal of the American Chemical Society","2012","134","","9876","9878","10.1021/ja2108432","","","0.71073","MoKα","","0.111","0.0673","","","0.1623","0.1744","","","","","","1.383","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118064","12.2398","0.0004","17.5642","0.0004","21.2961","0.0006","90.983","0.002","101.845","0.003","108.449","0.002","4233.9","0.2","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C83 H102 Cl N4 O4 P4 Si4 U2 -","- C83 H102 Cl N4 O4 P4 Si4 U2 -","- C166 H204 Cl2 N8 O8 P8 Si8 U4 -","2","1","","David P. Mills; Oliver J. Cooper; Floriana Tuna; Eric J. L. McInnes; E. Stephen Davies; Jonathan McMaster; Fabrizio Moro; William Lewis; Alexander J. Blake; Stephen T. Liddle","Synthesis of a Uranium(VI)-Carbene: Reductive Formation of Uranyl(V)-Methanides, Oxidative Preparation of a [R2C=U=O]2+ Analogue of the [O=U=O]2+ Uranyl Ion (R = Ph2PNSiMe3), and Comparison of the Nature of UIV=C, UV=C, and UVI=C Double Bonds","Journal of the American Chemical Society","2012","134","","10047","10054","10.1021/ja301333f","","","1.5418","CuKα","","0.0471","0.038","","","0.0925","0.0974","","","","","","1.06","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118065","15.255","0.0008","28.8625","0.0015","29.2694","0.0015","90","","104.515","0.001","90","","12475.9","1.1","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C121 H147 Cl N6 O6 P6 Si6 U3 -","- C121 H147 Cl N6 O6 P6 Si6 U3 -","- C484 H588 Cl4 N24 O24 P24 Si24 U12 -","4","1","","David P. Mills; Oliver J. Cooper; Floriana Tuna; Eric J. L. McInnes; E. Stephen Davies; Jonathan McMaster; Fabrizio Moro; William Lewis; Alexander J. Blake; Stephen T. Liddle","Synthesis of a Uranium(VI)-Carbene: Reductive Formation of Uranyl(V)-Methanides, Oxidative Preparation of a [R2C=U=O]2+ Analogue of the [O=U=O]2+ Uranyl Ion (R = Ph2PNSiMe3), and Comparison of the Nature of UIV=C, UV=C, and UVI=C Double Bonds","Journal of the American Chemical Society","2012","134","","10047","10054","10.1021/ja301333f","","","0.71073","MoKα","","0.0722","0.048","","","0.115","0.127","","","","","","1.02","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118066","16.1791","0.0009","11.3857","0.0006","22.5451","0.0012","90","","98.588","0.001","90","","4106.5","0.4","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Cl2.25 N2 O0.75 P2 Si2 U -","- C38 H46 Cl2.25 N2 O0.75 P2 Si2 U -","- C152 H184 Cl9 N8 O3 P8 Si8 U4 -","4","1","","David P. Mills; Oliver J. Cooper; Floriana Tuna; Eric J. L. McInnes; E. Stephen Davies; Jonathan McMaster; Fabrizio Moro; William Lewis; Alexander J. Blake; Stephen T. Liddle","Synthesis of a Uranium(VI)-Carbene: Reductive Formation of Uranyl(V)-Methanides, Oxidative Preparation of a [R2C=U=O]2+ Analogue of the [O=U=O]2+ Uranyl Ion (R = Ph2PNSiMe3), and Comparison of the Nature of UIV=C, UV=C, and UVI=C Double Bonds","Journal of the American Chemical Society","2012","134","","10047","10054","10.1021/ja301333f","","","0.71073","MoKα","","0.0381","0.028","","","0.0621","0.0669","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118067","9.8882","0.0002","11.5087","0.0003","16.2479","0.0004","88.2809","0.0018","83.0033","0.0019","79.295","0.002","1803.26","0.08","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H44 N2 P2 Si2 -","- C38 H44 N2 P2 Si2 -","- C76 H88 N4 P4 Si4 -","2","1","","David P. Mills; Oliver J. Cooper; Floriana Tuna; Eric J. L. McInnes; E. Stephen Davies; Jonathan McMaster; Fabrizio Moro; William Lewis; Alexander J. Blake; Stephen T. Liddle","Synthesis of a Uranium(VI)-Carbene: Reductive Formation of Uranyl(V)-Methanides, Oxidative Preparation of a [R2C=U=O]2+ Analogue of the [O=U=O]2+ Uranyl Ion (R = Ph2PNSiMe3), and Comparison of the Nature of UIV=C, UV=C, and UVI=C Double Bonds","Journal of the American Chemical Society","2012","134","","10047","10054","10.1021/ja301333f","","","1.5418","CuKα","","0.0293","0.0286","","","0.0743","0.0748","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118068","5.9714","0.0004","11.4212","0.0008","13.9961","0.001","90","","90.312","0.001","90","","954.53","0.11","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","TPB-1","","","- C26 H18 N4 -","- C26 H18 N4 -","- C52 H36 N8 -","2","0.5","","Yu-Chuan Chang; Sue-Lein Wang","From Stimuli-Responsive Polymorphic Organic Dye Crystals to Photoluminescent Cationic Open-Framework Metal Phosphate","Journal of the American Chemical Society","2012","134","","9848","9851","10.1021/ja302009h","","","0.71073","MoKα","","0.0792","0.0508","","","0.1266","0.1418","","","","","","0.95","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118069","16.31","0.0002","13.6832","0.0002","9.7527","0.0002","90","","97.147","0.001","90","","2159.63","0.06","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","TPB-2","","","- C26 H22 N4 O2 -","- C26 H18 N4 O2 -","- C104 H72 N16 O8 -","4","0.5","","Yu-Chuan Chang; Sue-Lein Wang","From Stimuli-Responsive Polymorphic Organic Dye Crystals to Photoluminescent Cationic Open-Framework Metal Phosphate","Journal of the American Chemical Society","2012","134","","9848","9851","10.1021/ja302009h","","","0.71073","MoKα","","0.0655","0.0479","","","0.1327","0.1467","","","","","","1.018","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118070","15.5701","0.0008","11.3472","0.0006","14.0056","0.0007","90","","91.147","0.002","90","","2474","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","TPCH","","","- C26 H32 N4 O5 -","- C26 H28 N4 O5 -","- C104 H112 N16 O20 -","4","0.5","","Yu-Chuan Chang; Sue-Lein Wang","From Stimuli-Responsive Polymorphic Organic Dye Crystals to Photoluminescent Cationic Open-Framework Metal Phosphate","Journal of the American Chemical Society","2012","134","","9848","9851","10.1021/ja302009h","","","1.54178","CuKα","","0.0619","0.0614","","","0.1671","0.1676","","","","","","1.054","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4118071","9.2671","0.0005","17.1198","0.0009","24.8416","0.0013","90","","90","","90","","3941.1","0.4","298","2","298","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C38 H30 N2 O16 P2 Zn2 -","- C36 H26 N4 O16 P2 Zn2 -","- C144 H104 N16 O64 P8 Zn8 -","4","0.5","","Yu-Chuan Chang; Sue-Lein Wang","From Stimuli-Responsive Polymorphic Organic Dye Crystals to Photoluminescent Cationic Open-Framework Metal Phosphate","Journal of the American Chemical Society","2012","134","","9848","9851","10.1021/ja302009h","","","0.71073","MoKα","","0.0792","0.0487","","","0.1261","0.1559","","","","","","1.077","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118072","7.699","0.003","17.608","0.008","15.09","0.007","90","","90","","90","","2045.7","1.5","223","2","223","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C10 H6.5 N1.5 O3 Zn0.5 -","- C10 H6.5 N1.5 O3 Zn0.5 -","- C80 H52 N12 O24 Zn4 -","8","1","","Satoshi Horike; Keisuke Kishida; Yoshihiro Watanabe; Yasutaka Inubushi; Daiki Umeyama; Masayuki Sugimoto; Tomohiro Fukushima; Munehiro Inukai; Susumu Kitagawa","Dense Coordination Network Capable of Selective CO2 Capture from C1 and C2 Hydrocarbons","Journal of the American Chemical Society","2012","134","","9852","9855","10.1021/ja302043u","","","0.71075","MoKα","","0.1261","0.0694","","","0.1777","0.2109","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118073","16.67","0.003","24.497","0.004","9.2897","0.0014","90","","90","","90","","3793.6","1.1","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","[Me3NN]Ni-N(CHMePh)Ad.1/2ether","","","- C43 H58 N3 Ni O0.5 -","- C43 H58 N3 Ni O0.5 -","- C172 H232 N12 Ni4 O2 -","4","1","","Stefan Wiese; Jason L. McAfee; Dale R. Pahls; Claire L. McMullin; Thomas R. Cundari; Timothy H. Warren","C-H Functionalization Reactivity of a Nickel-Imide","Journal of the American Chemical Society","2012","134","","10114","10121","10.1021/ja302149k","","","0.71073","MoKα","","0.0869","0.057","","","0.1453","0.161","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118074","9.81","0.003","16.118","0.004","24.663","0.007","90","","90.508","0.004","90","","3899.5","1.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Me3NN]Ni(h2-CHPhNHAd).ether","","","- C40 H51 N3 Ni -","- C40 H51 N3 Ni -","- C160 H204 N12 Ni4 -","4","1","","Stefan Wiese; Jason L. McAfee; Dale R. Pahls; Claire L. McMullin; Thomas R. Cundari; Timothy H. Warren","C-H Functionalization Reactivity of a Nickel-Imide","Journal of the American Chemical Society","2012","134","","10114","10121","10.1021/ja302149k","","","0.71073","MoKα","","0.1301","0.0668","","","0.1447","0.164","","","","","","0.943","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118075","11.4076","0.0014","12.7225","0.0016","19.095","0.002","89.664","0.002","88.036","0.002","84.121","0.002","2755.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","{[Me3NN]Ni}2(m-NAd).ether","","","- C60 H83 N5 Ni2 O -","- C60 H83 N5 Ni2 O -","- C120 H166 N10 Ni4 O2 -","2","1","","Stefan Wiese; Jason L. McAfee; Dale R. Pahls; Claire L. McMullin; Thomas R. Cundari; Timothy H. Warren","C-H Functionalization Reactivity of a Nickel-Imide","Journal of the American Chemical Society","2012","134","","10114","10121","10.1021/ja302149k","","","0.71073","MoKα","","0.1285","0.0537","","","0.108","0.123","","","","","","0.915","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118076","17.198","0.003","7.6587","0.0015","10.144","0.002","90","","90","","90","","1336.1","0.4","293","2","293","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- Ce5 F2 Li14 N19 O7 Si11 -","- Ce5 F2 Li14 N19 O7 Si11 -","- Ce10 F4 Li28 N38 O14 Si22 -","2","0.25","","Saskia Lupart; Giuliano Gregori; Joachim Maier; Wolfgang Schnick","Li14Ln5[Si11N19O5]O2F2 with Ln = Ce, Nd - Representatives of a Family of Potential Lithium Ion Conductors","Journal of the American Chemical Society","2012","134","","10132","10137","10.1021/ja302255d","","","0.71073","MoKα","","0.0699","0.0409","","","0.0896","0.0971","","","","","","0.876","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118077","17.126","0.003","7.6155","0.0015","10.123","0.002","90","","90","","90","","1320.3","0.4","293","2","293","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- F2 Li14 N19 Nd5 O7 Si11 -","- F2 Li14 N19 Nd5 O7 Si11 -","- F4 Li28 N38 Nd10 O14 Si22 -","2","0.25","","Saskia Lupart; Giuliano Gregori; Joachim Maier; Wolfgang Schnick","Li14Ln5[Si11N19O5]O2F2 with Ln = Ce, Nd - Representatives of a Family of Potential Lithium Ion Conductors","Journal of the American Chemical Society","2012","134","","10132","10137","10.1021/ja302255d","","","0.71073","MoKα","","0.0678","0.0419","","","0.0929","0.1005","","","","","","0.893","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118078","14.9687","0.0014","20.641","0.002","7.9486","0.0008","90","","98.316","0.007","90","","2430","0.4","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","flufenamic acid","2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C112 H80 F24 N8 O16 -","8","2","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Nonamorphism in Flufenamic Acid and a New Record for a Polymorphic Compound with Solved Structures","Journal of the American Chemical Society","2012","134","","9872","9875","10.1021/ja302601f","","","1.54178","CuKα","","0.1335","0.1011","","","0.2263","0.2646","","","","","","1.005","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118079","17.0047","0.0014","17.887","0.0014","19.1941","0.0015","81.321","0.007","89.58","0.006","78.56","0.007","5655.1","0.8","85","2","85","2","","","","","","","","5","P -1","-P 1","2","flufenamic acid","2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C252 H180 F54 N18 O36 -","18","9","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Nonamorphism in Flufenamic Acid and a New Record for a Polymorphic Compound with Solved Structures","Journal of the American Chemical Society","2012","134","","9872","9875","10.1021/ja302601f","","","1.54178","CuKα","","0.2977","0.1967","","","0.3801","0.4404","","","","","","1.027","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118080","8.6485","0.0002","11.5115","0.0002","38.895","0.003","87.914","0.006","85.91","0.006","72.26","0.005","3678.3","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","flufenamic acid","2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C168 H120 F36 N12 O24 -","12","6","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Nonamorphism in Flufenamic Acid and a New Record for a Polymorphic Compound with Solved Structures","Journal of the American Chemical Society","2012","134","","9872","9875","10.1021/ja302601f","","","1.54178","CuKα","","0.1818","0.1613","","","0.3923","0.3995","","","","","","1.147","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118081","8.7589","0.0002","11.6629","0.0003","20.0229","0.0014","80.632","0.006","81.041","0.006","73.532","0.005","1922.33","0.16","273","2","273","2","","","","","","","","5","P -1","-P 1","2","flufenamic acid","2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C84 H60 F18 N6 O12 -","6","3","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Nonamorphism in Flufenamic Acid and a New Record for a Polymorphic Compound with Solved Structures","Journal of the American Chemical Society","2012","134","","9872","9875","10.1021/ja302601f","","","1.54178","CuKα","","0.0826","0.0542","","","0.1324","0.1471","","","","","","0.954","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118082","26.6592","0.0019","7.9007","0.0002","23.243","0.0006","90","","94.084","0.007","90","","4883.2","0.4","95","2","95","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","flufenamic acid","2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C224 H160 F48 N16 O32 -","16","4","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Nonamorphism in Flufenamic Acid and a New Record for a Polymorphic Compound with Solved Structures","Journal of the American Chemical Society","2012","134","","9872","9875","10.1021/ja302601f","","","1.54187","CuKα","","0.109","0.0727","","","0.2013","0.267","","","","","","1.108","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118083","10.8813","0.0008","10.2374","0.0007","11.7487","0.001","90","","111.318","0.008","90","","1219.21","0.17","95","2","95","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","flufenamic acid","2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C56 H40 F12 N4 O8 -","4","1","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Nonamorphism in Flufenamic Acid and a New Record for a Polymorphic Compound with Solved Structures","Journal of the American Chemical Society","2012","134","","9872","9875","10.1021/ja302601f","","","1.54187","CuKα","","0.1065","0.0736","","","0.1494","0.1847","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118084","48.893","0.0016","48.893","0.0016","48.893","0.0016","90","","90","","90","","116880","7","225","2","225.04","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C28 H8 Cu2 O10 -","- C28 H8 Cu2 O10 -","- C1344 H384 Cu96 O480 -","48","0.25","","Omar K. Farha; Christopher E. Wilmer; Ibrahim Eryazici; Brad G. Hauser; Philip A. Parilla; Kevin O'Neill; Amy A. Sarjeant; SonBinh T. Nguyen; Randall Q. Snurr; Joseph T. Hupp","Designing Higher Surface Area Metal-Organic Frameworks: Are Triple Bonds Better Than Phenyls?","Journal of the American Chemical Society","2012","134","","9860","9863","10.1021/ja302623w","","","1.54184","CuKα","","0.0992","0.0806","","","0.2519","0.2629","","","","","","1.043","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118085","8.6599","0.0003","10.7452","0.0008","21.1333","0.0006","84.775","0.004","82.784","0.002","86.802","0.005","1940.86","0.17","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C38.5 H38 B F10 N O P -","- C38.5 H38 B F10 N O P -","- C77 H76 B2 F20 N2 O2 P2 -","2","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","1.54178","CuKα","","0.0601","0.0497","","","0.1273","0.1335","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118086","11.6585","0.0003","16.4256","0.0005","18.7671","0.0004","90","","106.113","0.001","90","","3452.68","0.16","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 B F10 N O P -","- C38 H30 B F10 N O P -","- C152 H120 B4 F40 N4 O4 P4 -","4","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","1.54178","CuKα","","0.0472","0.0431","","","0.1125","0.1162","","","","","","1.025","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118087","7.9245","0.0005","10.6961","0.0005","18.9336","0.0019","79.222","0.004","79.203","0.007","88.914","0.003","1548.4","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H28 B F10 N O P -","- C33 H28 B F10 N O P -","- C66 H56 B2 F20 N2 O2 P2 -","2","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","1.54178","CuKα","","0.0875","0.0538","","","0.1077","0.1279","","","","","","1.008","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118088","10.5468","0.0003","10.6122","0.0003","17.4537","0.0007","86.333","0.001","85.007","0.001","63.541","0.002","1741.55","0.1","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H34 B F10 N O P Si -","- C35 H34 B F10 N O P Si -","- C70 H68 B2 F20 N2 O2 P2 Si2 -","2","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","0.71073","MoKα","","0.1093","0.0786","","","0.1496","0.1705","","","","","","1.079","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118089","17.4646","0.0002","10.6452","0.0001","20.7316","0.0002","90","","91.147","0.001","90","","3853.53","0.07","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H45 B F10 N O P -","- C41 H45 B F10 N O P -","- C164 H180 B4 F40 N4 O4 P4 -","4","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","1.54178","CuKα","","0.0731","0.0578","","","0.1542","0.1674","","","","","","1.048","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118090","10.8277","0.0002","11.495","0.0003","14.8377","0.0003","87.546","0.001","73.836","0.001","82.013","0.002","1756.54","0.07","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H31 B F10 N O P -","- C38 H31 B F10 N O P -","- C76 H62 B2 F20 N2 O2 P2 -","2","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","1.54178","CuKα","","0.0778","0.0521","","","0.1118","0.1289","","","","","","1.044","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118091","9.4443","0.0002","10.7197","0.0002","19.2926","0.0005","82.938","0.001","86.248","0.001","82.508","0.001","1919.39","0.07","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H35 B F10 N O P Si -","- C35 H35 B F10 N O P Si -","- C70 H70 B2 F20 N2 O2 P2 Si2 -","2","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","0.71073","MoKα","","0.082","0.0664","","","0.1586","0.1686","","","","","","1.035","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118092","10.935","0.0012","12.8316","0.0016","16.1354","0.001","68.007","0.004","89.889","0.005","73.784","0.011","2002.3","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H33 B F10 N O P -","- C39 H33 B F10 N O P -","- C78 H66 B2 F20 N2 O2 P2 -","2","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","1.54178","CuKα","","0.1379","0.0904","","","0.1922","0.2242","","","","","","1.039","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118093","9.5024","0.0001","19.828","0.0003","21.6374","0.0002","74.247","0.001","81.653","0.001","78.048","0.001","3821.44","0.08","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H39 B F10 N O P -","- C43 H39 B F10 N O P -","- C172 H156 B4 F40 N4 O4 P4 -","4","2","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","0.71073","MoKα","","0.0756","0.0589","","","0.1426","0.16","","","","","","1.042","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118094","10.8645","0.0007","12.6096","0.0004","14.7239","0.0007","79.426","0.002","69.495","0.004","75.95","0.004","1822.01","0.17","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H35 B F10 N O P -","- C40 H35 B F10 N O P -","- C80 H70 B2 F20 N2 O2 P2 -","2","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","1.54178","CuKα","","0.055","0.0461","","","0.1252","0.1346","","","","","","1.001","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118095","11.07","0.0001","21.3258","0.0003","18.9405","0.0003","90","","105.085","0.001","90","","4317.33","0.1","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H49 B F10 N O P -","- C49 H49 B F10 N O P -","- C196 H196 B4 F40 N4 O4 P4 -","4","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","0.71073","MoKα","","0.0851","0.0688","","","0.1776","0.194","","","","","","1.045","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118096","11.8794","0.0002","16.4445","0.0002","19.7784","0.0003","97.514","0.001","94.091","0.001","92.643","0.001","3814.78","0.1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H41 B F10 N O P -","- C42 H41 B F10 N O P -","- C168 H164 B4 F40 N4 O4 P4 -","4","2","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","0.71073","MoKα","","0.0821","0.0642","","","0.133","0.1486","","","","","","1.06","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118097","19.6305","0.0005","11.3087","0.0004","18.274","0.0005","90","","105.963","0.002","90","","3900.3","0.2","223","2","223","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C44 H41 B F10 N O P -","- C44 H41 B F10 N O P -","- C176 H164 B4 F40 N4 O4 P4 -","4","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","0.71073","MoKα","","0.0598","0.051","","","0.1016","0.1086","","","","","","1.092","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118098","14.1349","0.0008","23.316","0.0012","14.1781","0.0008","90","","96.497","0.001","90","","4642.7","0.4","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 Cl2 N O4 -","- C23 H19 Cl2 N O4 -","- C184 H152 Cl16 N8 O32 -","8","4","","Fangrui Zhong; Jie Luo; Guo-Ying Chen; Xiaowei Dou; Yixin Lu","Highly Enantioselective Regiodivergent Allylic Alkylations of MBH Carbonates with Phthalides","Journal of the American Chemical Society","2012","134","","10222","10227","10.1021/ja303115m","","","0.71073","MoKα","","0.1407","0.0816","","","0.2041","0.2416","","","","","","0.981","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118099","8.8539","0.0011","11.5917","0.0014","10.5166","0.0012","90","","103.077","0.003","90","","1051.3","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H15 Br Cl2 O6 -","- C21 H15 Br Cl2 O6 -","- C42 H30 Br2 Cl4 O12 -","2","1","","Fangrui Zhong; Jie Luo; Guo-Ying Chen; Xiaowei Dou; Yixin Lu","Highly Enantioselective Regiodivergent Allylic Alkylations of MBH Carbonates with Phthalides","Journal of the American Chemical Society","2012","134","","10222","10227","10.1021/ja303115m","","","0.71073","MoKα","","0.0344","0.0316","","","0.0692","0.07","","","","","","0.965","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118100","6.301","0.0013","7.921","0.0016","15.916","0.003","90","","90","","90","","794.4","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Aaron Mailman; Stephen M. Winter; Xin Yu; Craig M. Robertson; Wenjun Yong; John S. Tse; Richard A. Secco; Zhenxian Liu; Paul A. Dube; Judith A. K. Howard; Richard T. Oakley","Crossing the Insulator-to-Metal Barrier with a Thiazyl Radical Conductor","Journal of the American Chemical Society","2012","134","","9886","9889","10.1021/ja303169y","","","0.6889","","","0.054","0.0534","","","0.1253","0.1258","","","","","","1.16","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118101","10.3022","0.0007","14.7258","0.001","18.459","0.0012","104.883","0.002","91.731","0.002","98.113","0.002","2672.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44.49 H38 Co2 F19.52 N10 O8.48 P2.51 S1.5 -","- C44.493 H38 Co2 F19.521 N10 O8.479 P2.507 S1.493 -","- C88.986 H76 Co4 F39.042 N20 O16.958 P5.014 S2.986 -","2","1","","Shunichi Fukuzumi; Sukanta Mandal; Kentaro Mase; Kei Ohkubo; Hyejin Park; Jordi Benet-Buchholz; Wonwoo Nam; Antoni Llobet","Catalytic Four-Electron Reduction of O2 via Rate-Determining Proton-Coupled Electron Transfer to a Dinuclear Cobalt-μ-1,2-peroxo Complex","Journal of the American Chemical Society","2012","134","","9906","9909","10.1021/ja303674n","","","0.71073","MoKα","","0.0498","0.0415","","","0.1094","0.1151","","","","","","1.06","","","","has coordinates,has disorder","288243","2023-12-12","09:57:14",""
"4118102","14.0028","0.0006","14.0551","0.0006","16.0751","0.0007","84.39","0.002","72.006","0.002","61.058","0.002","2628.1","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H41 Co2 F12 N10 O13 P S2 -","- C45 H41 Co2 F12 N10 O13 P S2 -","- C90 H82 Co4 F24 N20 O26 P2 S4 -","2","1","","Shunichi Fukuzumi; Sukanta Mandal; Kentaro Mase; Kei Ohkubo; Hyejin Park; Jordi Benet-Buchholz; Wonwoo Nam; Antoni Llobet","Catalytic Four-Electron Reduction of O2 via Rate-Determining Proton-Coupled Electron Transfer to a Dinuclear Cobalt-μ-1,2-peroxo Complex","Journal of the American Chemical Society","2012","134","","9906","9909","10.1021/ja303674n","","","0.71073","MoKα","","0.0993","0.071","","","0.208","0.2368","","","","","","1.058","","","","has coordinates,has disorder","288243","2023-12-12","09:57:14",""
"4118103","13.9792","0.0009","11.8611","0.0008","7.7282","0.0005","90","","112.748","0.004","90","","1181.73","0.14","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","nickel (0) nitrosyl iodide bipyridine","","- C10 H8 I N3 Ni O -","- C10 H8 I N3 Ni O -","- C40 H32 I4 N12 Ni4 O4 -","4","0.5","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Formation of N2O from a Nickel Nitrosyl: Isolation of the cis-[N2O2]2- Intermediate","Journal of the American Chemical Society","2012","134","","9930","9933","10.1021/ja304204q","","","0.71073","MoKα","","0.0252","0.0199","","","0.0442","0.0456","","","","","","1.041","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118104","7.9403","0.0003","10.4457","0.0003","16.9595","0.0006","81.625","0.002","86.498","0.002","77.562","0.002","1358.35","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","nickel (0) nitrosyl bipyridine hexafluorophosphate","","- C10 H8 F6 N3 Ni O P -","- C10 H8 F6 N3 Ni O P -","- C40 H32 F24 N12 Ni4 O4 P4 -","4","2","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Formation of N2O from a Nickel Nitrosyl: Isolation of the cis-[N2O2]2- Intermediate","Journal of the American Chemical Society","2012","134","","9930","9933","10.1021/ja304204q","","","1.54178","CuKα","","0.0504","0.0496","","","0.1435","0.1455","","","","","","1.017","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118105","9.1746","0.0012","12.0587","0.0016","12.7075","0.0016","91.115","0.002","102.721","0.002","107.306","0.002","1303.8","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","bis(bipyridine) nitrosyl nickel hexafluorophosphate","","- C22 H20 Cl3 F6 N5 Ni O P -","- C22 H20 Cl3 F6 N5 Ni O P -","- C44 H40 Cl6 F12 N10 Ni2 O2 P2 -","2","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Formation of N2O from a Nickel Nitrosyl: Isolation of the cis-[N2O2]2- Intermediate","Journal of the American Chemical Society","2012","134","","9930","9933","10.1021/ja304204q","","","0.71073","MoKα","","0.0602","0.0482","","","0.1249","0.1322","","","","","","1.049","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118106","13.5487","0.0015","14.7806","0.0018","13.6462","0.0016","90","","110.055","0.007","90","","2567.1","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H22 Cl F6 N5 Ni O P -","- C24.5 H20 Cl F6 N5 Ni O P -","- C98 H80 Cl4 F24 N20 Ni4 O4 P4 -","4","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Formation of N2O from a Nickel Nitrosyl: Isolation of the cis-[N2O2]2- Intermediate","Journal of the American Chemical Society","2012","134","","9930","9933","10.1021/ja304204q","","","0.71073","MoKα","","0.1272","0.1096","","","0.2506","0.2565","","","","","","1.225","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118107","11.7637","0.0018","30.291","0.005","18.027","0.003","90","","104.34","0.003","90","","6223.5","1.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","acetylacetonate bis(bipyridine) nickel (II) hexafluorophosphate","","- C53 H52 Cl6 F12 N8 Ni2 O4 P2 -","- C53 H52 Cl6 F12 N8 Ni2 O4 P2 -","- C212 H208 Cl24 F48 N32 Ni8 O16 P8 -","4","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Formation of N2O from a Nickel Nitrosyl: Isolation of the cis-[N2O2]2- Intermediate","Journal of the American Chemical Society","2012","134","","9930","9933","10.1021/ja304204q","","","0.71073","MoKα","","0.0665","0.047","","","0.1389","0.1511","","","","","","1.084","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118108","16.7015","0.0005","6.6866","0.0002","17.7346","0.0005","90","","90","","90","","1980.53","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cis-hyponitrite 2,2-bipridine nickel (II)","","- C10 H8 N4 Ni O2 -","- C10 H8 N4 Ni O2 -","- C80 H64 N32 Ni8 O16 -","8","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Formation of N2O from a Nickel Nitrosyl: Isolation of the cis-[N2O2]2- Intermediate","Journal of the American Chemical Society","2012","134","","9930","9933","10.1021/ja304204q","","","0.71073","MoKα","","0.0558","0.0309","","","0.0607","0.068","","","","","","1.013","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118109","10.4308","0.0009","18.1887","0.0015","15.4186","0.0013","90","","101.419","0.001","90","","2867.4","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Be Cl2 N2 -","- C27 H36 Be Cl2 N2 -","- C108 H144 Be4 Cl8 N8 -","4","1","","Robert J. Gilliard; Mariham Y. Abraham; Yuzhong Wang; Pingrong Wei; Yaoming Xie; Brandon Quillian; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","Carbene-Stabilized Beryllium Borohydride","Journal of the American Chemical Society","2012","134","","9953","9955","10.1021/ja304514f","","","0.71073","MoKα","","0.1284","0.0565","","","0.1431","0.1912","","","","","","1.006","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118110","10.4255","0.0007","17.9488","0.0011","15.9335","0.001","90","","98.579","0.001","90","","2948.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H44 B2 Be N2 -","- C27 H44 B2 Be N2 -","- C108 H176 B8 Be4 N8 -","4","1","","Robert J. Gilliard; Mariham Y. Abraham; Yuzhong Wang; Pingrong Wei; Yaoming Xie; Brandon Quillian; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","Carbene-Stabilized Beryllium Borohydride","Journal of the American Chemical Society","2012","134","","9953","9955","10.1021/ja304514f","","","0.71073","MoKα","","0.0826","0.0527","","","0.1447","0.1707","","","","","","1.032","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118111","12.4807","0.0007","23.1679","0.0012","17.7375","0.001","90","","91.1","0.001","90","","5127.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H77 B N4 -","- C54 H77 B N4 -","- C216 H308 B4 N16 -","4","1","","Robert J. Gilliard; Mariham Y. Abraham; Yuzhong Wang; Pingrong Wei; Yaoming Xie; Brandon Quillian; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","Carbene-Stabilized Beryllium Borohydride","Journal of the American Chemical Society","2012","134","","9953","9955","10.1021/ja304514f","","","0.71073","MoKα","","0.0703","0.0499","","","0.1212","0.1375","","","","","","1.016","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118112","9.5379","0.0015","9.5379","0.0015","32.918","0.003","90","","90","","90","","2994.6","0.7","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","","","","- C30 H31 Cl F6 O4 -","- C30 H31 Cl F6 O4 -","- C120 H124 Cl4 F24 O16 -","4","1","","Kazutaka Shibatomi; Yoshinori Soga; Akira Narayama; Ikuhide Fujisawa; Seiji Iwasa","Highly Enantioselective Chlorination of β-Keto Esters and Subsequent SN2 Displacement of Tertiary Chlorides: A Flexible Method for the Construction of Quaternary Stereogenic Centers","Journal of the American Chemical Society","2012","134","","9836","9839","10.1021/ja304806j","","x-ray","0.71069","MoKα","","0.1001","0.0424","","","0.1071","0.1307","","","","","","1.006","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118113","8.752","0.006","9.781","0.007","19.961","0.012","94.18","0.05","96.78","0.05","115.96","0.05","1510.7","1.9","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H31 F6 N3 O4 -","- C30 H31 F6 N3 O4 -","- C60 H62 F12 N6 O8 -","2","2","","Kazutaka Shibatomi; Yoshinori Soga; Akira Narayama; Ikuhide Fujisawa; Seiji Iwasa","Highly Enantioselective Chlorination of β-Keto Esters and Subsequent SN2 Displacement of Tertiary Chlorides: A Flexible Method for the Construction of Quaternary Stereogenic Centers","Journal of the American Chemical Society","2012","134","","9836","9839","10.1021/ja304806j","","x-ray","0.71069","MoKα","","0.1883","0.0577","","","0.1476","0.2153","","","","","","1.002","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118114","9.124","0.005","17.671","0.01","22.813","0.016","90","","94.6","0.05","90","","3666","4","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C35 H28 F12 N2 O5 -","- C35 H28 F12 N2 O5 -","- C140 H112 F48 N8 O20 -","4","1","","Kazutaka Shibatomi; Yoshinori Soga; Akira Narayama; Ikuhide Fujisawa; Seiji Iwasa","Highly Enantioselective Chlorination of β-Keto Esters and Subsequent SN2 Displacement of Tertiary Chlorides: A Flexible Method for the Construction of Quaternary Stereogenic Centers","Journal of the American Chemical Society","2012","134","","9836","9839","10.1021/ja304806j","","x-ray","0.71069","MoKα","","0.1006","0.0387","","","0.0868","0.1126","","","","","","1.012","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118115","19.5457","0.0015","12.2406","0.001","15.4763","0.0014","90","","114.233","0.005","90","","3376.5","0.5","90","0.5","90","0.5","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 O5 -","- C24 H14 O5 -","- C192 H112 O40 -","8","1","","Martha Sibrian-Vazquez; Jorge O. Escobedo; Mark Lowry; Frank R. Fronczek; Robert M. Strongin","Field Effects Induce Bathochromic Shifts in Xanthene Dyes","Journal of the American Chemical Society","2012","134","","10502","10508","10.1021/ja302445w","","","1.54178","CuKα","","0.039","0.033","","","0.085","0.089","","","","","","1.053","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118116","7.6357","0.0005","10.2341","0.0007","15.8115","0.001","71.208","0.001","84.809","0.001","82.183","0.001","1157.41","0.13","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H25 N O4 -","- C29 H25 N O4 -","- C58 H50 N2 O8 -","2","1","","Gen Onodera; Yoshihisa Shimizu; Jun-na Kimura; Junya Kobayashi; Yukiko Ebihara; Kei Kondo; Ken Sakata; Ryo Takeuchi","Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Nitriles","Journal of the American Chemical Society","2012","134","","10515","10531","10.1021/ja3028394","","","0.71073","MoKα","","0.037","0.0338","","","0.0831","0.0856","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118117","10.8423","0.0006","15.7551","0.0008","11.7158","0.0006","90","","101.55","0.001","90","","1960.78","0.18","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O4 -","- C23 H21 N3 O4 -","- C92 H84 N12 O16 -","4","1","","Gen Onodera; Yoshihisa Shimizu; Jun-na Kimura; Junya Kobayashi; Yukiko Ebihara; Kei Kondo; Ken Sakata; Ryo Takeuchi","Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Nitriles","Journal of the American Chemical Society","2012","134","","10515","10531","10.1021/ja3028394","","","0.71073","MoKα","","0.0401","0.0357","","","0.0908","0.0945","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118118","9.1978","0.0002","13.4682","0.0003","15.3589","0.0003","90","","90","","90","","1902.63","0.07","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C88 H100 N4 O16 -","4","1","","Gen Onodera; Yoshihisa Shimizu; Jun-na Kimura; Junya Kobayashi; Yukiko Ebihara; Kei Kondo; Ken Sakata; Ryo Takeuchi","Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Nitriles","Journal of the American Chemical Society","2012","134","","10515","10531","10.1021/ja3028394","","","1.54187","CuKα","","","0.037","","","","0.0978","","","","","","1.085","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118119","12.382","0.003","12.774","0.003","16.134","0.004","67.262","0.003","87.161","0.003","67.91","0.003","2167","0.9","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H45 Cl2 N3 O8 -","- C52 H45 Cl2 N3 O8 -","- C104 H90 Cl4 N6 O16 -","2","1","","Gen Onodera; Yoshihisa Shimizu; Jun-na Kimura; Junya Kobayashi; Yukiko Ebihara; Kei Kondo; Ken Sakata; Ryo Takeuchi","Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Nitriles","Journal of the American Chemical Society","2012","134","","10515","10531","10.1021/ja3028394","","","0.71073","MoKα","","0.0845","0.0546","","","0.143","0.1613","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118120","10.9994","0.0013","11.0376","0.0013","15.942","0.003","94.613","0.002","93.838","0.002","114.641","0.001","1742.7","0.4","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H37 N5 O8 -","- C41 H37 N5 O8 -","- C82 H74 N10 O16 -","2","1","","Gen Onodera; Yoshihisa Shimizu; Jun-na Kimura; Junya Kobayashi; Yukiko Ebihara; Kei Kondo; Ken Sakata; Ryo Takeuchi","Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Nitriles","Journal of the American Chemical Society","2012","134","","10515","10531","10.1021/ja3028394","","","0.71073","MoKα","","0.0973","0.0761","","","0.2411","0.2914","","","","","","1.192","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118121","11.758","0.006","16.793","0.009","17.869","0.009","90","","90.858","0.007","90","","3528","3","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N2 O8 S2 -","- C40 H36 N2 O8 S2 -","- C160 H144 N8 O32 S8 -","4","1","","Gen Onodera; Yoshihisa Shimizu; Jun-na Kimura; Junya Kobayashi; Yukiko Ebihara; Kei Kondo; Ken Sakata; Ryo Takeuchi","Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Nitriles","Journal of the American Chemical Society","2012","134","","10515","10531","10.1021/ja3028394","","","0.71073","MoKα","","0.0713","0.0436","","","0.094","0.1078","","","","","","1.035","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118122","11.676","0.002","11.698","0.002","14.139","0.003","66.91","0.003","81.911","0.003","79.155","0.003","1740","0.6","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H37 N3 O8 S -","- C41 H37 N3 O8 S -","- C82 H74 N6 O16 S2 -","2","1","","Gen Onodera; Yoshihisa Shimizu; Jun-na Kimura; Junya Kobayashi; Yukiko Ebihara; Kei Kondo; Ken Sakata; Ryo Takeuchi","Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Nitriles","Journal of the American Chemical Society","2012","134","","10515","10531","10.1021/ja3028394","","","0.71073","MoKα","","0.0982","0.0663","","","0.1497","0.1686","","","","","","1.015","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118123","14.4589","0.0016","14.972","0.0018","21.711","0.003","87.903","0.005","76.771","0.004","70.003","0.004","4294.9","0.9","113","2","113","","","","","","","","","7","P -1","-P 1","2","","","","- C90 H94 B2 Cl4 Cu2 F8 N10 -","- C90 H94 B2 Cl4 Cu2 F8 N10 -","- C180 H188 B4 Cl8 Cu4 F16 N20 -","2","1","","Michihiro Nishikawa; Kuniharu Nomoto; Shoko Kume; Hiroshi Nishihara","Reversible Copper(II)/(I) Electrochemical Potential Switching Driven by Visible Light-Induced Coordinated Ring Rotation","Journal of the American Chemical Society","2012","134","","10543","10553","10.1021/ja3028873","","","0.7107","MoKα","","","0.0805","","","","0.2408","","","","","","1.055","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118124","12.1259","0.0013","6.5546","0.0007","13.8267","0.0015","90","","104.705","0.001","90","","1063","0.2","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","(2S,4R,5S)-2-((benzyloxy)methyl)-4-((S)-(4-bromophenyl) (hydroxy)methyl)-5-ethyl-2-methylcyclopentane-1,3-dione","","","- C23 H25 Br O4 -","- C23 H25 Br O4 -","- C46 H50 Br2 O8 -","2","1","","Kohsuke Aikawa; Tatsuya Okamoto; Koichi Mikami","Copper(I)-Catalyzed Asymmetric Desymmetrization: Synthesis of Five-Membered-Ring Compounds Containing All-Carbon Quaternary Stereocenters","Journal of the American Chemical Society","2012","134","","10329","10332","10.1021/ja3032345","","","0.71073","MoKα","","0.0387","0.0335","","","0.081","0.1008","","","","","","1.093","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118125","10.435","0.0007","8.3916","0.0006","24.2782","0.0016","90","","91.363","0.002","90","","2125.4","0.3","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","(2S,4R,5S)-4-((S)-[1,1'-biphenyl]-4-yl(hydroxy)methyl) -5-ethyl-2-methyl-2-phenylcyclopentane-1,3-dione","","","- C27 H26 O3 -","- C27 H26 O3 -","- C108 H104 O12 -","4","2","","Kohsuke Aikawa; Tatsuya Okamoto; Koichi Mikami","Copper(I)-Catalyzed Asymmetric Desymmetrization: Synthesis of Five-Membered-Ring Compounds Containing All-Carbon Quaternary Stereocenters","Journal of the American Chemical Society","2012","134","","10329","10332","10.1021/ja3032345","","","0.71073","MoKα","","0.0904","0.0694","","","0.17","0.183","","","","","","1.094","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118126","13.4958","0.0011","14.3753","0.0012","17.9042","0.0017","71.056","0.003","75.038","0.003","67.531","0.003","3000","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74.5 H69 Fe O P4 -","- C74.5 H69 Fe O P4 -","- C149 H138 Fe2 O2 P8 -","2","1","","Christopher J. Adams; Robin B. Bedford; Emma Carter; Nicholas J. Gower; Mairi F. Haddow; Jeremy N. Harvey; Michael Huwe; M. Ángeles Cartes; Stephen M. Mansell; Carla Mendoza; Damien M. Murphy; Emily C. Neeve; Joshua Nunn","Iron(I) in Negishi Cross-Coupling Reactions","Journal of the American Chemical Society","2012","134","","10333","10336","10.1021/ja303250t","","","0.71073","MoKα","","0.0621","0.0415","","","0.1034","0.1169","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118127","25.3","0.001","25.2876","0.001","18.7836","0.0007","90","","94.248","0.002","90","","11984.3","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H64 Cl Fe O2 P4 -","- C60 H48 Cl Fe P4 -","- C480 H384 Cl8 Fe8 P32 -","8","1","","Christopher J. Adams; Robin B. Bedford; Emma Carter; Nicholas J. Gower; Mairi F. Haddow; Jeremy N. Harvey; Michael Huwe; M. Ángeles Cartes; Stephen M. Mansell; Carla Mendoza; Damien M. Murphy; Emily C. Neeve; Joshua Nunn","Iron(I) in Negishi Cross-Coupling Reactions","Journal of the American Chemical Society","2012","134","","10333","10336","10.1021/ja303250t","","","0.71073","MoKα","","0.0719","0.0451","","","0.12","0.1287","","","","","","1.006","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118128","65.292","0.009","10.4431","0.0013","42.546","0.006","90","","127.313","0.007","90","","23073","6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69.45 H66.9 Br Fe O2.36 P4 -","- C69.448 H66.896 Br Fe O2.362 P4 -","- C1111.17 H1070.34 Br16 Fe16 O37.792 P64 -","16","2","","Christopher J. Adams; Robin B. Bedford; Emma Carter; Nicholas J. Gower; Mairi F. Haddow; Jeremy N. Harvey; Michael Huwe; M. Ángeles Cartes; Stephen M. Mansell; Carla Mendoza; Damien M. Murphy; Emily C. Neeve; Joshua Nunn","Iron(I) in Negishi Cross-Coupling Reactions","Journal of the American Chemical Society","2012","134","","10333","10336","10.1021/ja303250t","","","0.71073","MoKα","","0.1311","0.0559","","","0.1225","0.1543","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118129","15.3","0.005","20.07","0.006","10.527","0.003","90","","108.105","0.004","90","","3072.5","1.6","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 B10 Co N O2 S4 -","- C16 H26 B10 Co N O2 S4 -","- C64 H104 B40 Co4 N4 O8 S16 -","4","1","","Rui Zhang; Lin Zhu; Guifeng Liu; Huimin Dai; Zhenzhong Lu; Jianbo Zhao; Hong Yan","Cobalt-Promoted B-H and C-H Activation: Facile B-C Coupling of Carboranedithiolate and Cyclopentadienyl","Journal of the American Chemical Society","2012","134","","10341","10344","10.1021/ja303334t","","","0.71073","MoKα","","0.0914","0.0525","","","0.1041","0.1143","","","","","","0.824","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118130","16.6784","0.0018","15.9715","0.0017","10.6829","0.0012","90","","118.638","0.001","90","","2497.6","0.5","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H25 B10 Co O2 S4 -","- C15 H25 B10 Co O2 S4 -","- C60 H100 B40 Co4 O8 S16 -","4","1","","Rui Zhang; Lin Zhu; Guifeng Liu; Huimin Dai; Zhenzhong Lu; Jianbo Zhao; Hong Yan","Cobalt-Promoted B-H and C-H Activation: Facile B-C Coupling of Carboranedithiolate and Cyclopentadienyl","Journal of the American Chemical Society","2012","134","","10341","10344","10.1021/ja303334t","","","0.71073","MoKα","","0.0767","0.0618","","","0.1452","0.1661","","","","","","1.081","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118131","14.55","0.007","8.957","0.004","15.106","0.007","90","","109.482","0.005","90","","1856","1.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 B10 Co O2 S2 -","- C11 H19 B10 Co O2 S2 -","- C44 H76 B40 Co4 O8 S8 -","4","1","","Rui Zhang; Lin Zhu; Guifeng Liu; Huimin Dai; Zhenzhong Lu; Jianbo Zhao; Hong Yan","Cobalt-Promoted B-H and C-H Activation: Facile B-C Coupling of Carboranedithiolate and Cyclopentadienyl","Journal of the American Chemical Society","2012","134","","10341","10344","10.1021/ja303334t","","","0.71073","MoKα","","0.0451","0.0377","","","0.1076","0.113","","","","","","1.038","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118132","11.537","0.003","14.299","0.003","21.519","0.005","91.374","0.003","102.151","0.004","101.032","0.003","3398.6","1.4","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H70 B20 Cl2 Co2 O9 S4 -","- C49 H70 B20 Cl2 Co2 O9 S4 -","- C98 H140 B40 Cl4 Co4 O18 S8 -","2","1","","Rui Zhang; Lin Zhu; Guifeng Liu; Huimin Dai; Zhenzhong Lu; Jianbo Zhao; Hong Yan","Cobalt-Promoted B-H and C-H Activation: Facile B-C Coupling of Carboranedithiolate and Cyclopentadienyl","Journal of the American Chemical Society","2012","134","","10341","10344","10.1021/ja303334t","","","0.71073","MoKα","","0.0819","0.0508","","","0.0957","0.1011","","","","","","1.058","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118133","12.27","0.002","20.4427","0.0016","11.3772","0.0011","90","","106.603","0.002","90","","2734.8","0.6","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 B10 Co O4 S2 -","- C20 H31 B10 Co O4 S2 -","- C80 H124 B40 Co4 O16 S8 -","4","1","","Rui Zhang; Lin Zhu; Guifeng Liu; Huimin Dai; Zhenzhong Lu; Jianbo Zhao; Hong Yan","Cobalt-Promoted B-H and C-H Activation: Facile B-C Coupling of Carboranedithiolate and Cyclopentadienyl","Journal of the American Chemical Society","2012","134","","10341","10344","10.1021/ja303334t","","","0.71073","MoKα","","0.0937","0.064","","","0.1241","0.13","","","","","","1.093","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118134","24.766","0.003","12.8891","0.0015","25.154","0.004","90","","113.668","0.002","90","","7354.1","1.7","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H37 B20 Co O4 S4 -","- C22 H37 B20 Co O4 S4 -","- C176 H296 B160 Co8 O32 S32 -","8","1","","Rui Zhang; Lin Zhu; Guifeng Liu; Huimin Dai; Zhenzhong Lu; Jianbo Zhao; Hong Yan","Cobalt-Promoted B-H and C-H Activation: Facile B-C Coupling of Carboranedithiolate and Cyclopentadienyl","Journal of the American Chemical Society","2012","134","","10341","10344","10.1021/ja303334t","","","0.71073","MoKα","","0.1026","0.0459","","","0.0755","0.0892","","","","","","0.815","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118135","14.517","0.005","7.166","0.003","13.861","0.005","90","","109.016","0.006","90","","1363.3","0.9","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 -","- C38 H32 -","- C76 H64 -","2","0.5","","Daniel T. Chase; Aaron G. Fix; Seok Ju Kang; Bradley D. Rose; Christopher D. Weber; Yu Zhong; Lev N. Zakharov; Mark C. Lonergan; Colin Nuckolls; Michael M. Haley","6,12-Diarylindeno[1,2-b]fluorenes: Syntheses, Photophysics, and Ambipolar OFETs","Journal of the American Chemical Society","2012","134","","10349","10352","10.1021/ja303402p","","","0.71073","MoKα","","0.0617","0.0456","","","0.1095","0.1189","","","","","","1.065","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118136","13.0971","0.0009","13.5557","0.0009","18.2431","0.0012","89.216","0.004","88.444","0.003","88.19","0.003","3235.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Co(TpivPP)(1-EtIm)(O2)]C6H6","","","- C75 H78 Co N10 O6 -","- C75 H78 Co N10 O6 -","- C150 H156 Co2 N20 O12 -","2","1","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.0744","0.0496","","","0.1276","0.1466","","","","","","1.084","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118137","18.586","0.004","19.17","0.004","18.316","0.004","90","","90.25","0.03","90","","6526","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(TpivPP)(1-EtIm)(O2)]C6H6","","","- C75 H78 Co N10 O6 -","- C75 H78 Co N10 O6 -","- C300 H312 Co4 N40 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.0783","0.0477","","","0.1139","0.1226","","","","","","0.945","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118138","18.5681","0.0007","19.2564","0.0008","18.4497","0.0007","90","","90.169","0.002","90","","6596.7","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(TpivPP)(1-EtIm)(O2)]C6H6","","","- C75 H78 Co N10 O6 -","- C75 H78 Co N10 O6 -","- C300 H312 Co4 N40 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.0911","0.0486","","","0.1266","0.1498","","","","","","1.013","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118139","18.711","0.002","19.566","0.003","18.725","0.003","90","","90.824","0.005","90","","6854.5","1.7","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(TpivPP)(1-EtIm)(O2)]C6H6","","","- C75 H78 Co N10 O6 -","- C75 H78 Co N10 O6 -","- C300 H312 Co4 N40 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.1091","0.0606","","","0.1755","0.2052","","","","","","1.023","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118140","13.155","0.002","13.517","0.002","18.249","0.003","89.416","0.011","88.707","0.011","88.007","0.011","3242","0.9","80","2","80","2","","","","","","","","5","P -1","-P 1","2","[Co(TpivPP)(1-EtIm)(O2)]C6H6","","","- C75 H78 Co N10 O6 -","- C75 H78 Co N10 O6 -","- C150 H156 Co2 N20 O12 -","2","1","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.1379","0.0869","","","0.2102","0.2403","","","","","","1.074","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118141","18.464","0.002","19.165","0.002","18.3257","0.0018","90","","90.082","0.004","90","","6484.8","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H78 Co N10 O6 -","- C75 H78 Co N10 O6 -","- C300 H312 Co4 N40 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.1203","0.1028","","","0.2848","0.2974","","","","","","1.152","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118142","18.7514","0.0003","19.5309","0.0003","17.8719","0.0003","90","","91.065","0.001","90","","6544.13","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(TpivPP)(2-MeIm)(O2)]1.8EtOH","","","- C71.6 H80.8 Co N10 O7.8 -","- C71.6 H70 Co N10 O7.8 -","- C286.4 H280 Co4 N40 O31.2 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.0676","0.0559","","","0.1591","0.1703","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118143","18.5678","0.0007","19.5594","0.0008","17.8219","0.0006","90","","90.954","0.002","90","","6471.6","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(TpivPP)(2-MeIm)0.4(O2)]2EtOH","","","- C72 H82 Co N10 O6.8 -","- C72 H70 Co N10 O6.8 -","- C288 H280 Co4 N40 O27.2 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.0593","0.0509","","","0.1399","0.1512","","","","","","1.078","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118144","18.9063","0.0005","19.6633","0.0005","18.3473","0.0005","90","","91.666","0.001","90","","6817.9","0.3","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(TpivPP)(2-MeIm)0.3(O2)]1.8EtOH","","","- C71.6 H80.8 Co N10 O6.4 -","- C71.6 H70 Co N10 O6.4 -","- C286.4 H280 Co4 N40 O25.6 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.1219","0.0758","","","0.2301","0.2646","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118145","18.6326","0.0003","19.6158","0.0003","17.905","0.0003","90","","90.879","0.001","90","","6543.39","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(TpivPP)(2-MeIm)]1.8EtOH","","","- C71.6 H82 Co N10 O5.8 -","- C71.6 H70 Co N10 O5.8 -","- C286.4 H280 Co4 N40 O23.2 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.0733","0.0572","","","0.1633","0.1776","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118146","24.4424","0.0012","29.282","0.002","30.7048","0.0013","90","","90","","90","","21976","2","293","2","293","2","","","","","","","","6","F m m m","-F 2 2","69","","","","- C64 H56 Cl3 Mn6 N8 O24 -","- C64 H48 Cl3 Mn6 N8 O24 -","- C512 H384 Cl24 Mn48 N64 O192 -","8","0.25","","Xiu-Li Yang; Ming-Hua Xie; Chao Zou; Yabing He; Banglin Chen; Michael O'Keeffe; Chuan-De Wu","Porous Metalloporphyrinic Frameworks Constructed from Metal 5,10,15,20-Tetrakis(3,5-biscarboxylphenyl)porphyrin for Highly Efficient and Selective Catalytic Oxidation of Alkylbenzenes","Journal of the American Chemical Society","2012","134","","10638","10645","10.1021/ja303728c","","","1.54178","CuKα","","0.101","0.0766","","","0.1891","0.2104","","","","","","1.259","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118147","24.0125","0.0012","28.8745","0.0017","31.348","0.002","90","","90","","90","","21735","2","293","2","293","2","","","","","","","","7","F m m m","-F 2 2","69","","","","- C52 H36 Cl2 Mn5 N4 Ni O24 -","- C52 H20 Cl2 Mn5 N4 Ni O24 -","- C416 H160 Cl16 Mn40 N32 Ni8 O192 -","8","0.25","","Xiu-Li Yang; Ming-Hua Xie; Chao Zou; Yabing He; Banglin Chen; Michael O'Keeffe; Chuan-De Wu","Porous Metalloporphyrinic Frameworks Constructed from Metal 5,10,15,20-Tetrakis(3,5-biscarboxylphenyl)porphyrin for Highly Efficient and Selective Catalytic Oxidation of Alkylbenzenes","Journal of the American Chemical Society","2012","134","","10638","10645","10.1021/ja303728c","","","1.54178","CuKα","","0.1142","0.098","","","0.2277","0.2472","","","","","","1.017","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118148","24.135","0.007","29.2","0.009","31.833","0.009","90","","90","","90","","22434","11","293","2","293","2","","","","","","","","7","F m m m","-F 2 2","69","","","","- C52 H32 Cd5 Cl3 Mn N4 O22 -","- C52 H20 Cd5 Cl3 Mn N4 O22 -","- C416 H160 Cd40 Cl24 Mn8 N32 O176 -","8","0.25","","Xiu-Li Yang; Ming-Hua Xie; Chao Zou; Yabing He; Banglin Chen; Michael O'Keeffe; Chuan-De Wu","Porous Metalloporphyrinic Frameworks Constructed from Metal 5,10,15,20-Tetrakis(3,5-biscarboxylphenyl)porphyrin for Highly Efficient and Selective Catalytic Oxidation of Alkylbenzenes","Journal of the American Chemical Society","2012","134","","10638","10645","10.1021/ja303728c","","","1.54178","CuKα","","0.2568","0.1054","","","0.1821","0.2231","","","","","","0.804","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118149","6.5109","0.0004","11.2402","0.0006","9.7941","0.0005","90","","105.228","0.003","90","","691.6","0.07","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","Lanthanum(III) Borate Chloride","","","- B4 Cl La O8 -","- B4 Cl La O8 -","- B16 Cl4 La4 O32 -","4","1","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0173","0.0166","","","0.0349","0.0353","","","","","","1.03","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118150","6.5079","0.0009","11.2082","0.0016","9.7133","0.0014","90","","105.25","0.007","90","","683.56","0.17","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","Cerium(III) Borate Chloride","","","- B4 Ce Cl O8 -","- B4 Ce Cl O8 -","- B16 Ce4 Cl4 O32 -","4","1","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0173","0.0169","","","0.0389","0.0391","","","","","","1.103","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118151","10.448","0.003","6.4192","0.0018","23.051","0.006","90","","97.22","0.003","90","","1533.7","0.7","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Samarium(III) Borate Chloride","","","- B18 Cl3 O38 Sm4 -","- B18 Cl3 O38 Sm4 -","- B36 Cl6 O76 Sm8 -","2","0.5","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0601","0.0398","","","0.0851","0.093","","","","","","1.042","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118152","10.4397","0.0003","6.4189","0.0002","23.0367","0.0006","90","","97.196","0.002","90","","1531.56","0.08","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Europium(III) Borate Chloride","","","- B18 Cl3 Eu4 O38 -","- B18 Cl3 Eu4 O38 -","- B36 Cl6 Eu8 O76 -","2","0.5","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0441","0.0288","","","0.0543","0.0574","","","","","","0.904","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118153","8.346","0.019","8.346","0.019","20.58","0.08","90","","90","","120","","1241","6","100","2","100","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","Yttrium(III) Borate Chloride","","","- B6 O12 Y -","- B6 O12 Y -","- B36 O72 Y6 -","6","0.333333","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0311","0.0273","","","0.0626","0.0654","","","","","","1.055","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118154","6.4898","0.0012","11.174","0.002","9.6183","0.0017","90","","105.15","0.002","90","","673.2","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","Plutonium(III) borate chloride","","","- B4 Cl O8 Pu -","- B4 Cl O8 Pu -","- B16 Cl4 O32 Pu4 -","4","1","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.026","0.0227","","","0.0406","0.0416","","","","","","0.996","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118155","8.0522","0.0017","14.568","0.003","9.82","0.002","90","","90.12","0.002","90","","1151.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Plutonium(III) borate chloride","","","- B13 Cl2 O27 Pu2 -","- B13 Cl2 O27 Pu2 -","- B26 Cl4 O54 Pu4 -","2","0.5","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0563","0.0547","","","0.1277","0.1284","","","","","","1.356","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118156","7.703","0.0015","16.688","0.003","9.872","0.002","90","","90.073","0.006","90","","1269","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Americium(III) borate","","","- Am B9 O18 -","- Am B9 O18 -","- Am4 B36 O72 -","4","1","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0155","0.0143","","","0.0364","0.037","","","","","","1.103","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118157","7.9561","0.0017","14.212","0.003","9.836","0.002","90","","90.013","0.002","90","","1112.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Curium(III) borate chloride","","","- B14 Cl Cm2 O29 -","- B14 Cl Cm2 O29 -","- B28 Cl2 Cm4 O58 -","2","0.5","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0608","0.057","","","0.127","0.1302","","","","","","1.276","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118158","13.7772","0.0009","9.085","0.0002","13.841","0.0009","90","","152.431","0.011","90","","801.8","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 Br N2 O4 -","- C15 H17 Br N2 O4 -","- C30 H34 Br2 N4 O8 -","2","1","","Aurélien Alix; Claudia Lalli; Pascal Retailleau; Géraldine Masson","Highly Enantioselective Electrophilic α-Bromination of Enecarbamates: Chiral Phosphoric Acid and Calcium Phosphate Salt Catalysts","Journal of the American Chemical Society","2012","134","","10389","10392","10.1021/ja304095z","","","1.54187","CuKα","","0.0322","0.0298","","","0.0753","0.0793","","","","","","1.059","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118159","11.9228","0.0003","12.6026","0.0004","14.6366","0.0004","93.9513","0.0011","101.734","0.0015","114.692","0.0014","1926.94","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H34 B F15 Sc -","- C41 H34 B F15 Sc -","- C82 H68 B2 F30 Sc2 -","2","1","","Andreas Berkefeld; Warren E. Piers; Masood Parvez; Ludovic Castro; Laurent Maron; Odile Eisenstein","Carbon Monoxide Activation via O-Bound CO Using Decamethylscandocinium-Hydridoborate Ion Pairs","Journal of the American Chemical Society","2012","134","","10843","10851","10.1021/ja300591v","","","0.71073","MoKα","","0.0631","0.0536","","","0.1313","0.1397","","","","","","1.043","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118160","10.6944","0.0005","12.3689","0.0005","14.744","0.0007","100.107","0.003","99.133","0.002","106.462","0.002","1795.89","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H31 B F15 O Sc -","- C39 H31 B F15 O Sc -","- C78 H62 B2 F30 O2 Sc2 -","2","1","","Andreas Berkefeld; Warren E. Piers; Masood Parvez; Ludovic Castro; Laurent Maron; Odile Eisenstein","Carbon Monoxide Activation via O-Bound CO Using Decamethylscandocinium-Hydridoborate Ion Pairs","Journal of the American Chemical Society","2012","134","","10843","10851","10.1021/ja300591v","","","0.71073","MoKα","","0.1422","0.09","","","0.1517","0.1831","","","","","","1.141","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118161","11.937","0.002","12.301","0.003","19.403","0.004","84.41","0.03","84.81","0.03","66.45","0.03","2595.2","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H73 P Si8 Sn Ti -","- C32 H73 P Si8 Sn Ti -","- C64 H146 P2 Si16 Sn2 Ti2 -","2","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes","Journal of the American Chemical Society","2012","134","","10864","10875","10.1021/ja301547x","","","0.71073","MoKα","","0.0404","0.0341","","","0.0869","0.0894","","","","","","1.052","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118162","11.97","0.002","12.369","0.003","19.643","0.004","84.07","0.03","84.17","0.03","66.45","0.03","2646","1.1","118","2","118","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H73 P Si8 Sn Zr -","- C32 H73 P Si8 Sn Zr -","- C64 H146 P2 Si16 Sn2 Zr2 -","2","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes","Journal of the American Chemical Society","2012","134","","10864","10875","10.1021/ja301547x","","","0.71073","MoKα","","0.076","0.0567","","","0.1245","0.1315","","","","","","1.025","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118163","11.903","0.002","12.278","0.003","19.495","0.004","84.47","0.03","84.22","0.03","66.37","0.03","2592","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H73 Hf P Si8 Sn -","- C32 H73 Hf P Si8 Sn -","- C64 H146 Hf2 P2 Si16 Sn2 -","2","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes","Journal of the American Chemical Society","2012","134","","10864","10875","10.1021/ja301547x","","","0.71073","MoKα","","0.0945","0.0652","","","0.1404","0.1498","","","","","","1.012","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118164","11.95","0.002","12.274","0.003","19.463","0.004","84.78","0.03","84.62","0.03","66.66","0.03","2605","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H73 P Pb Si8 Ti -","- C32 H73 P Pb Si8 Ti -","- C64 H146 P2 Pb2 Si16 Ti2 -","2","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes","Journal of the American Chemical Society","2012","134","","10864","10875","10.1021/ja301547x","","","0.71073","MoKα","","0.0388","0.0354","","","0.0849","0.0869","","","","","","0.846","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118165","11.983","0.002","12.362","0.003","19.723","0.004","84.33","0.03","84.13","0.03","66.64","0.03","2662.7","1.1","118","2","118","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H73 P Pb Si8 Zr -","- C32 H73 P Pb Si8 Zr -","- C64 H146 P2 Pb2 Si16 Zr2 -","2","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes","Journal of the American Chemical Society","2012","134","","10864","10875","10.1021/ja301547x","","","0.71073","MoKα","","0.125","0.0952","","","0.1904","0.2038","","","","","","1.086","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118166","11.96","0.002","12.314","0.003","19.595","0.004","84.66","0.03","84.17","0.03","66.45","0.03","2627.5","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H73 Hf P Pb Si8 -","- C32 H73 Hf P Pb Si8 -","- C64 H146 Hf2 P2 Pb2 Si16 -","2","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes","Journal of the American Chemical Society","2012","134","","10864","10875","10.1021/ja301547x","","","0.71073","MoKα","","0.1179","0.0892","","","0.1808","0.1932","","","","","","1.132","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118167","25.784","0.005","27.759","0.006","13.721","0.003","90","","103.55","0.03","90","","9547","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H134 N Si18 Sn2 Ti2 -","- C58 H134 N Si18 Sn2 Ti2 -","- C232 H536 N4 Si72 Sn8 Ti8 -","4","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes","Journal of the American Chemical Society","2012","134","","10864","10875","10.1021/ja301547x","","","0.71073","MoKα","","0.1291","0.0733","","","0.1298","0.1471","","","","","","0.991","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118168","4.1371","0.0007","4.1371","0.0007","21.477","0.004","90","","90","","90","","367.59","0.11","296","2","296","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C2 F O2 Pb -","- C2 F O2 Pb -","- C8 F4 O8 Pb4 -","4","0.25","","Honghan Fei; Catherine H. Pham; Scott R. J. Oliver","Anion Exchange of the Cationic Layered Material [Pb2F2]2+","Journal of the American Chemical Society","2012","134","","10729","10732","10.1021/ja3017686","","","0.71073","MoKα","","0.0178","0.0176","","","0.0506","0.0508","","","","","","1.245","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118169","4.116","0.003","4.116","0.003","24.003","0.015","90","","90","","90","","406.6","0.5","296","2","296","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C5 H6 F2 O4 Pb2 -","- C5 F2 O4 Pb2 -","- C10 F4 O8 Pb4 -","2","0.125","","Honghan Fei; Catherine H. Pham; Scott R. J. Oliver","Anion Exchange of the Cationic Layered Material [Pb2F2]2+","Journal of the American Chemical Society","2012","134","","10729","10732","10.1021/ja3017686","","","0.71073","MoKα","","0.02","0.019","","","0.0461","0.0476","","","","","","1.163","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118170","20.4048","0.0018","24.623","0.002","21.1059","0.0017","90","","110.876","0.003","90","","9908.1","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H127 N13 O3 S -","- C112 H127 N13 O3 S -","- C448 H508 N52 O12 S4 -","4","1","","Virginia Valderrey; Eduardo C. Escudero-Adán; Pablo Ballester","Polyatomic Anion Assistance in the Assembly of [2]Pseudorotaxanes","Journal of the American Chemical Society","2012","134","","10733","10736","10.1021/ja301900s","","","0.71073","MoKα","","0.2779","0.1373","","","0.3502","0.4406","","","","","","1.036","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118171","10.7378","0.0018","22.469","0.004","18.161","0.003","90","","106.645","0.005","90","","4198.1","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C202 H200 N28 O6 -","- C202 H200 N28 O6 -","- C202 H200 N28 O6 -","1","0.25","","Virginia Valderrey; Eduardo C. Escudero-Adán; Pablo Ballester","Polyatomic Anion Assistance in the Assembly of [2]Pseudorotaxanes","Journal of the American Chemical Society","2012","134","","10733","10736","10.1021/ja301900s","","","0.71073","MoKα","","0.1649","0.1291","","","0.327","0.348","","","","","","1.137","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118172","10.7481","0.0009","22.503","0.002","18.018","0.0016","90","","105.8","0.003","90","","4193.3","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C96 H94 N14 -","- C96 H94 N14 -","- C192 H188 N28 -","2","0.5","","Virginia Valderrey; Eduardo C. Escudero-Adán; Pablo Ballester","Polyatomic Anion Assistance in the Assembly of [2]Pseudorotaxanes","Journal of the American Chemical Society","2012","134","","10733","10736","10.1021/ja301900s","","","0.71073","MoKα","","0.0813","0.0566","","","0.1473","0.1647","","","","","","1.026","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118173","6.3965","0.0015","17.194","0.004","16.729","0.004","90","","92.658","0.008","90","","1837.9","0.7","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(cyclohexylisocyanide)gold(I) hexafluoroarsenate","","","- C14 H22 As Au F6 N2 -","- C14 H22 As Au F6 N2 -","- C56 H88 As4 Au4 F24 N8 -","4","1","","Mark A. Malwitz; Sang Ho Lim; Rochelle L. White-Morris; David M. Pham; Marilyn M. Olmstead; Alan L. Balch","Crystallization and Interconversions of Vapor-Sensitive, Luminescent Polymorphs of [(C6H11NC)2AuI](AsF6) and [(C6H11NC)2AuI](PF6)","Journal of the American Chemical Society","2012","134","","10885","10893","10.1021/ja302025m","","","0.71073","MoKα","","0.0241","0.0198","","","0.0488","0.0501","","","","","","1.163","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118174","11.7708","0.0012","12.4924","0.0013","14.783","0.003","113.248","0.002","106.757","0.002","91.716","0.002","1886.8","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","[Au(CNCy)~2~][AsF~6~] yellow polymorph","","","- C14 H22 As Au F6 N2 -","- C14 H22 As Au F6 N2 -","- C56 H88 As4 Au4 F24 N8 -","4","2","","Mark A. Malwitz; Sang Ho Lim; Rochelle L. White-Morris; David M. Pham; Marilyn M. Olmstead; Alan L. Balch","Crystallization and Interconversions of Vapor-Sensitive, Luminescent Polymorphs of [(C6H11NC)2AuI](AsF6) and [(C6H11NC)2AuI](PF6)","Journal of the American Chemical Society","2012","134","","10885","10893","10.1021/ja302025m","","","0.71073","MoKα","","0.0748","0.0575","","","0.1555","0.1641","","","","","","1.072","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118175","25.6869","0.0008","15.1248","0.0005","21.3153","0.0006","90","","97.368","0.002","90","","8212.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@C3v(134)-C94.Ni(OEP).2toluene","","","- C144 H60 N4 Ni Sm -","- C141.022 H57.4 N4 Ni Sm0.9987 -","- C564.088 H229.6 N16 Ni4 Sm3.9948 -","4","0.5","","Hongxiao Jin; Hua Yang; Meilan Yu; Ziyang Liu; Christine M. Beavers; Marilyn M. Olmstead; Alan L. Balch","Single Samarium Atoms in Large Fullerene Cages. Characterization of Two Isomers of Sm@C92 and Four Isomers of Sm@C94 with the X-ray Crystallographic Identification of Sm@C1(42)-C92, Sm@Cs(24)-C92, and Sm@C3v(134)-C94","Journal of the American Chemical Society","2012","134","","10933","10941","10.1021/ja302859r","","","0.7749","synchrotron","","0.0568","0.0517","","","0.146","0.1523","","","","","","1.05","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118176","47.306","0.004","15.084","0.0012","25.625","0.002","90","","117.664","0.002","90","","16195","2","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Sm@Cs(24)-C92.Ni(OEP).1.6toluene.0.4benzene","","","- C141.6 H59.2 N4 Ni Sm -","- C141.6 H59.2 N4 Ni Sm -","- C1132.8 H473.6 N32 Ni8 Sm8 -","8","1","","Hongxiao Jin; Hua Yang; Meilan Yu; Ziyang Liu; Christine M. Beavers; Marilyn M. Olmstead; Alan L. Balch","Single Samarium Atoms in Large Fullerene Cages. Characterization of Two Isomers of Sm@C92 and Four Isomers of Sm@C94 with the X-ray Crystallographic Identification of Sm@C1(42)-C92, Sm@Cs(24)-C92, and Sm@C3v(134)-C94","Journal of the American Chemical Society","2012","134","","10933","10941","10.1021/ja302859r","","","0.71073","MoKα","","0.1502","0.1203","","","0.3335","0.352","","","","","","2.493","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118177","25.5517","0.0007","15.3002","0.0004","20.8629","0.0006","90","","95.307","0.004","90","","8121.3","0.4","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@(C1-42-C92).NiOEP.2toluene","","","- C142 H60 N4 Ni Sm -","- C139.5 H57 N4 Ni Sm -","- C558 H228 N16 Ni4 Sm4 -","4","0.5","","Hongxiao Jin; Hua Yang; Meilan Yu; Ziyang Liu; Christine M. Beavers; Marilyn M. Olmstead; Alan L. Balch","Single Samarium Atoms in Large Fullerene Cages. Characterization of Two Isomers of Sm@C92 and Four Isomers of Sm@C94 with the X-ray Crystallographic Identification of Sm@C1(42)-C92, Sm@Cs(24)-C92, and Sm@C3v(134)-C94","Journal of the American Chemical Society","2012","134","","10933","10941","10.1021/ja302859r","","","0.71073","MoKα","","0.0853","0.0603","","","0.1615","0.1813","","","","","","1.037","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118178","7.9626","0.0003","36.6534","0.0011","5.6635","0.0002","90","","90","","90","","1652.93","0.1","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16 H19 Br O3 -","- C16 H19 Br O3 -","- C64 H76 Br4 O12 -","4","1","","Zhanjie Li; Brendan T. Parr; Huw M. L. Davies","Highly Stereoselective C-C Bond Formation by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Chiral Allylic Alcohols","Journal of the American Chemical Society","2012","134","","10942","10946","10.1021/ja303023n","","","1.54178","CuKα","","0.0401","0.0368","","","0.0913","0.0926","","","","","","1.089","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118179","11.1117","0.0005","5.5288","0.0003","14.6321","0.0007","90","","104.084","0.002","90","","871.89","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C42 H44 O6 -","2","1","","Zhanjie Li; Brendan T. Parr; Huw M. L. Davies","Highly Stereoselective C-C Bond Formation by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Chiral Allylic Alcohols","Journal of the American Chemical Society","2012","134","","10942","10946","10.1021/ja303023n","","","1.54178","CuKα","","0.0258","0.0254","","","0.0692","0.0697","","","","","","1.013","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118180","5.7546","0.0012","12.147","0.002","12.151","0.002","104.48","0.02","90.08","0.03","90.16","0.03","822.4","0.3","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C38 H48 O6 -","2","2","","Zhanjie Li; Brendan T. Parr; Huw M. L. Davies","Highly Stereoselective C-C Bond Formation by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Chiral Allylic Alcohols","Journal of the American Chemical Society","2012","134","","10942","10946","10.1021/ja303023n","","","1.54178","CuKα","","0.03","0.0299","","","0.086","0.0861","","","","","","1.02","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118181","5.5849","0.0004","9.4558","0.0006","9.9361","0.0007","116.623","0.005","94.611","0.006","90.704","0.004","466.88","0.06","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C21 H28 O3 -","1","1","","Zhanjie Li; Brendan T. Parr; Huw M. L. Davies","Highly Stereoselective C-C Bond Formation by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Chiral Allylic Alcohols","Journal of the American Chemical Society","2012","134","","10942","10946","10.1021/ja303023n","","","1.54178","CuKα","","0.0484","0.0448","","","0.1175","0.1214","","","","","","1.048","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118182","5.4496","0.0004","13.7116","0.0008","25.4795","0.0015","90","","90","","90","","1903.9","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O3 -","- C21 O3 -","- C84 O12 -","4","1","","Zhanjie Li; Brendan T. Parr; Huw M. L. Davies","Highly Stereoselective C-C Bond Formation by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Chiral Allylic Alcohols","Journal of the American Chemical Society","2012","134","","10942","10946","10.1021/ja303023n","","","1.54178","CuKα","","0.0999","0.0841","","","0.2394","0.2531","","","","","","1.895","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118183","9.7036","0.0005","16.2275","0.0017","22.5692","0.0011","80.041","0.002","87.649","0.006","86.36","0.004","3491.6","0.4","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C114 H108 F6 N12 O22 Pd2 S2 -","- C114 H108 F6 N12 O22 Pd2 S2 -","- C114 H108 F6 N12 O22 Pd2 S2 -","1","0.5","","Ryo Sekiya; Morihiko Fukuda; Reiko Kuroda","Anion-Directed Formation and Degradation of an Interlocked Metallohelicate","Journal of the American Chemical Society","2012","134","","10987","10997","10.1021/ja303634u","","x-ray","0.71073","MoKα","","0.1935","0.1139","","","0.3","0.3284","","","","","","0.962","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118184","6.275","0.004","7.387","0.003","16.399","0.007","90","","94.918","0.011","90","","757.4","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H14 Br F3 O3 -","- C15 H14 Br F3 O3 -","- C30 H28 Br2 F6 O6 -","2","1","","Qing-Hai Deng; Hubert Wadepohl; Lutz H. Gade","Highly Enantioselective Copper-Catalyzed Electrophilic Trifluoromethylation of β-Ketoesters","Journal of the American Chemical Society","2012","134","","10769","10772","10.1021/ja3039773","","x-ray","0.71073","MoKα","","0.0386","0.031","","","0.0625","0.0649","","","","","","1.036","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118185","9.49361","0.00019","9.58111","0.0002","11.7944","0.0002","84.2465","0.0016","66.5081","0.0018","75.4175","0.0017","952.2","0.04","110","0.1","110","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 F3 O3 -","- C20 H25 F3 O3 -","- C40 H50 F6 O6 -","2","1","","Qing-Hai Deng; Hubert Wadepohl; Lutz H. Gade","Highly Enantioselective Copper-Catalyzed Electrophilic Trifluoromethylation of β-Ketoesters","Journal of the American Chemical Society","2012","134","","10769","10772","10.1021/ja3039773","","x-ray","1.5418","CuKα","","0.0417","0.0409","","","0.1101","0.1111","","","","","","1.035","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118186","11.2716","0.0002","11.5021","0.0002","19.3305","0.0004","90","","100.093","0.001","90","","2467.36","0.08","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 B N2 -","- C31 H31 B N2 -","- C124 H124 B4 N8 -","4","1","","Ying-Li Rao; Leanne D. Chen; Nicholas J. Mosey; Suning Wang","Stepwise Intramolecular Photoisomerization of NHC-Chelate Dimesitylboron Compounds with C-C Bond Formation and C-H Bond Insertion","Journal of the American Chemical Society","2012","134","","11026","11034","10.1021/ja304211v","","","0.71073","MoKα","","0.0525","0.0421","","","0.1015","0.1078","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118187","12.848","0.011","13.839","0.012","13.201","0.011","90","","92.276","0.011","90","","2345","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 B N2 -","- C28 H31 B N2 -","- C112 H124 B4 N8 -","4","1","","Ying-Li Rao; Leanne D. Chen; Nicholas J. Mosey; Suning Wang","Stepwise Intramolecular Photoisomerization of NHC-Chelate Dimesitylboron Compounds with C-C Bond Formation and C-H Bond Insertion","Journal of the American Chemical Society","2012","134","","11026","11034","10.1021/ja304211v","","","0.71073","MoKα","","0.3843","0.092","","","0.1703","0.2875","","","","","","0.919","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118188","11.9281","0.0008","13.8623","0.001","15.7265","0.0011","90","","103.307","0.001","90","","2530.6","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 B N2 -","- C32 H33 B N2 -","- C128 H132 B4 N8 -","4","1","","Ying-Li Rao; Leanne D. Chen; Nicholas J. Mosey; Suning Wang","Stepwise Intramolecular Photoisomerization of NHC-Chelate Dimesitylboron Compounds with C-C Bond Formation and C-H Bond Insertion","Journal of the American Chemical Society","2012","134","","11026","11034","10.1021/ja304211v","","","0.71073","MoKα","","0.0698","0.0478","","","0.1102","0.1221","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118189","11.3963","0.0009","11.0691","0.0008","19.3717","0.0013","90","","93.13","0.005","90","","2440","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 B N2 -","- C32 H33 B N2 -","- C128 H132 B4 N8 -","4","1","","Ying-Li Rao; Leanne D. Chen; Nicholas J. Mosey; Suning Wang","Stepwise Intramolecular Photoisomerization of NHC-Chelate Dimesitylboron Compounds with C-C Bond Formation and C-H Bond Insertion","Journal of the American Chemical Society","2012","134","","11026","11034","10.1021/ja304211v","","","0.71073","MoKα","","0.1995","0.0726","","","0.1383","0.1853","","","","","","0.924","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118190","12.909","0.004","11.611","0.004","30.691","0.009","90","","100.955","0.006","90","","4516","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H29 B N2 -","- C27 H29 B N2 -","- C216 H232 B8 N16 -","8","1","","Ying-Li Rao; Leanne D. Chen; Nicholas J. Mosey; Suning Wang","Stepwise Intramolecular Photoisomerization of NHC-Chelate Dimesitylboron Compounds with C-C Bond Formation and C-H Bond Insertion","Journal of the American Chemical Society","2012","134","","11026","11034","10.1021/ja304211v","","","0.71073","MoKα","","0.1708","0.0937","","","0.1971","0.2343","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118191","25.6","0.003","14.6115","0.0013","13.2509","0.0011","90","","90","","90","","4956.6","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28 H31 B N2 -","- C28 H31 B N2 -","- C224 H248 B8 N16 -","8","1","","Ying-Li Rao; Leanne D. Chen; Nicholas J. Mosey; Suning Wang","Stepwise Intramolecular Photoisomerization of NHC-Chelate Dimesitylboron Compounds with C-C Bond Formation and C-H Bond Insertion","Journal of the American Chemical Society","2012","134","","11026","11034","10.1021/ja304211v","","","0.71073","MoKα","","0.2249","0.0942","","","0.1951","0.2476","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118192","8.1624","0.0013","13.199","0.002","17.708","0.003","108.26","0.002","92.017","0.002","93.497","0.002","1805.4","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H56 O4 Si2 -","- C35 H56 O4 Si2 -","- C70 H112 O8 Si4 -","2","1","","Sang Young Yun; Kung-Pern Wang; Mansuk Kim; Daesung Lee","Nonmetathetic Activity of Ruthenium Alkylidene Complexes: 1,4-Hydrovinylative Cyclization of Multiynes with Ethylene","Journal of the American Chemical Society","2012","134","","10783","10786","10.1021/ja304255h","","","0.71073","MoKα","","0.0543","0.0374","","","0.1093","0.1297","","","","","","0.781","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118193","12.965","0.004","11.375","0.003","22.117","0.007","90","","91.863","0.014","90","","3260","1.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","PSF-IV-271","hartwig07","","- C25 H46 Cu F3 N4 O4 S -","- C25 H46 Cu F3 N4 O4 S -","- C100 H184 Cu4 F12 N16 O16 S4 -","4","1","","Patrick S. Fier; John F. Hartwig","Copper-Mediated Fluorination of Aryl Iodides","Journal of the American Chemical Society","2012","134","","10795","10798","10.1021/ja304410x","","","0.71073","MoKα","","0.0335","0.0257","","","0.0632","0.0671","","","","","","1.043","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118194","9.2021","0.0003","10.0062","0.0004","17.8241","0.0006","90","","90","","90","","1641.21","0.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","PSF-IV-257","hartwig08","","- C11 H18 Cu F3 N2 O3 S -","- C11 H18 Cu F3 N2 O3 S -","- C44 H72 Cu4 F12 N8 O12 S4 -","4","1","","Patrick S. Fier; John F. Hartwig","Copper-Mediated Fluorination of Aryl Iodides","Journal of the American Chemical Society","2012","134","","10795","10798","10.1021/ja304410x","","","0.71073","MoKα","","0.025","0.0227","","","0.0516","0.0526","","","","","","1.025","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118195","9.387","0.006","14.868","0.009","10.007","0.006","90","","117.318","0.009","90","","1240.9","1.3","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Andrew DeAngelis; Olga Dmitrenko; Joseph M. Fox","Rh-Catalyzed Intermolecular Reactions of Cyclic α-Diazocarbonyl Compounds with Selectivity over Tertiary C-H Bond Migration","Journal of the American Chemical Society","2012","134","","11035","11043","10.1021/ja3046712","","","0.71073","MoKα","","0.0663","0.0565","","","0.1513","0.1623","","","","","","1.062","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118196","12.291","0.007","14.645","0.008","9.589","0.006","90","","97.98","0.02","90","","1709.3","1.7","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","","Andrew DeAngelis; Olga Dmitrenko; Joseph M. Fox","Rh-Catalyzed Intermolecular Reactions of Cyclic α-Diazocarbonyl Compounds with Selectivity over Tertiary C-H Bond Migration","Journal of the American Chemical Society","2012","134","","11035","11043","10.1021/ja3046712","","","0.71073","MoKα","","0.253","0.0915","","","0.1813","0.2772","","","","","","1.072","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118197","6.231","0.002","7.756","0.003","26.639","0.01","90","","90","","90","","1287.4","0.8","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Cl O -","- C15 H17 Cl O -","- C60 H68 Cl4 O4 -","4","1","","Andrew DeAngelis; Olga Dmitrenko; Joseph M. Fox","Rh-Catalyzed Intermolecular Reactions of Cyclic α-Diazocarbonyl Compounds with Selectivity over Tertiary C-H Bond Migration","Journal of the American Chemical Society","2012","134","","11035","11043","10.1021/ja3046712","","","0.71073","MoKα","","0.0326","0.0314","","","0.086","0.0874","","","","","","1.018","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118198","11.214","0.002","12.161","0.002","21.67","0.004","87.342","0.003","81.058","0.003","65.693","0.003","2660","0.8","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H96 O10 Rh2 -","- C48 H96 O10 Rh2 -","- C96 H192 O20 Rh4 -","2","1","","Andrew DeAngelis; Olga Dmitrenko; Joseph M. Fox","Rh-Catalyzed Intermolecular Reactions of Cyclic α-Diazocarbonyl Compounds with Selectivity over Tertiary C-H Bond Migration","Journal of the American Chemical Society","2012","134","","11035","11043","10.1021/ja3046712","","","0.71073","MoKα","","0.075","0.05","","","0.1114","0.1255","","","","","","1.017","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118199","15.83","0.008","7.718","0.004","9.003","0.004","90","","90","","90","","1099.9","0.9","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H15 Cl3 Cu N2 O -","- C6 H15 Cl3 Cu N2 O -","- C24 H60 Cl12 Cu4 N8 O4 -","4","1","","Yi Zhang; Wen Zhang; Shen-Hui Li; Qiong Ye; Hong-Ling Cai; Feng Deng; Ren-Gen Xiong; Songping D. Huang","Ferroelectricity Induced by Ordering of Twisting Motion in a Molecular Rotor","Journal of the American Chemical Society","2012","134","","11044","11049","10.1021/ja3047427","","","0.71073","MoKα","","0.0184","0.0181","","","0.0532","0.0533","","","","","","1.097","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118200","15.729","0.003","9.041","0.0018","7.7954","0.0016","90","","90","","90","","1108.6","0.4","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H15 Cl3 Cu N2 O -","- C6 H15 Cl3 Cu N2 O -","- C24 H60 Cl12 Cu4 N8 O4 -","4","0.5","","Yi Zhang; Wen Zhang; Shen-Hui Li; Qiong Ye; Hong-Ling Cai; Feng Deng; Ren-Gen Xiong; Songping D. Huang","Ferroelectricity Induced by Ordering of Twisting Motion in a Molecular Rotor","Journal of the American Chemical Society","2012","134","","11044","11049","10.1021/ja3047427","","","0.71073","MoKα","","0.0329","0.0315","","","0.0761","0.0769","","","","","","1.125","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118201","15.847","0.007","7.682","0.003","8.976","0.004","90","","90","","90","","1092.7","0.8","93","2","93","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C6 H12 Cl3 Cu D3 N2 O -","- C6 H12 Cl3 Cu D3 N2 O -","- C24 H48 Cl12 Cu4 D12 N8 O4 -","4","1","","Yi Zhang; Wen Zhang; Shen-Hui Li; Qiong Ye; Hong-Ling Cai; Feng Deng; Ren-Gen Xiong; Songping D. Huang","Ferroelectricity Induced by Ordering of Twisting Motion in a Molecular Rotor","Journal of the American Chemical Society","2012","134","","11044","11049","10.1021/ja3047427","","","0.71073","MoKα","","0.0201","0.0197","","","0.0477","0.0479","","","","","","1.053","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118202","15.818","0.003","9.095","0.0018","7.85","0.0016","90","","90","","90","","1129.3","0.4","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H12 Cl3 Cu D3 N2 O -","- C6 H12 Cl3 Cu D3 N2 O -","- C24 H48 Cl12 Cu4 D12 N8 O4 -","4","0.5","","Yi Zhang; Wen Zhang; Shen-Hui Li; Qiong Ye; Hong-Ling Cai; Feng Deng; Ren-Gen Xiong; Songping D. Huang","Ferroelectricity Induced by Ordering of Twisting Motion in a Molecular Rotor","Journal of the American Chemical Society","2012","134","","11044","11049","10.1021/ja3047427","","","0.71073","MoKα","","0.0297","0.0275","","","0.0666","0.0677","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118203","13.891","0.002","10.0196","0.0018","22.79","0.002","90","","90","","90","","3172","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H22 Br N O5 S -","- C12 H22 Br N O5 S -","- C96 H176 Br8 N8 O40 S8 -","8","1","","Christopher S. Adams; Luke A. Boralsky; Ilia A. Guzei; Jennifer M. Schomaker","Modular Functionalization of Allenes to Aminated Stereotriads","Journal of the American Chemical Society","2012","134","","10807","10810","10.1021/ja304859w","","","1.54178","CuKα","","0.0409","0.0345","","","0.0814","0.0853","","","","","","1.057","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118204","8.3944","0.0003","9.6158","0.0005","12.7663","0.0006","74.492","0.001","71.769","0.002","79.369","0.001","937.38","0.07","103","2","103","2","","","","","","","","6","P 1","P 1","1","","","","- C44 H42 Br N O5 S -","- C44 H42 Br N O5 S -","- C44 H42 Br N O5 S -","1","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0574","0.0432","","","0.1063","0.138","","","","","","1.085","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118205","9.4628","0.0004","10.2341","0.0008","10.2812","0.0005","114.352","0.003","116.121","0.002","94.339","0.003","773.13","0.09","103","2","103","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H31 N O4 S -","- C39 H31 N O4 S -","- C39 H31 N O4 S -","1","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0389","0.0361","","","0.0897","0.0918","","","","","","1.063","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118206","8.6399","0.0002","8.7456","0.0003","21.0282","0.0006","90","","101.385","0.001","90","","1557.65","0.08","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H33 N O4 S -","- C36 H33 N O4 S -","- C72 H66 N2 O8 S2 -","2","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0553","0.0453","","","0.1054","0.1155","","","","","","1.055","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118207","10.7247","0.0004","10.7247","0.0004","50.097","0.002","90","","90","","120","","4990.1","0.3","103","2","103","2","","","","","","","","5","P 65","P 65","170","","","","- C41 H35 N O4 S -","- C41 H35 N O4 S -","- C246 H210 N6 O24 S6 -","6","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0769","0.0581","","","0.134","0.1524","","","","","","1.116","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118208","11.8176","0.0005","14.2902","0.0005","19.048","0.0009","90","","90","","90","","3216.7","0.2","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 D N O4 S -","- C40 H33 N O4 S -","- C160 H132 N4 O16 S4 -","4","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0556","0.0449","","","0.1054","0.1109","","","","","","1.04","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118209","9.5692","0.0007","20.1333","0.0017","28.937","0.002","90","","90","","90","","5575","0.7","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C60.5 H60 Au Cl N O4 P S -","- C60.5 H60 Au Cl N O4 P S -","- C242 H240 Au4 Cl4 N4 O16 P4 S4 -","4","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0741","0.0472","","","0.1021","0.1253","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118210","9.5871","0.0004","17.2928","0.001","20.7027","0.0012","90","","90","","90","","3432.3","0.3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H35 N O4 S -","- C45 H35 N O4 S -","- C180 H140 N4 O16 S4 -","4","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0559","0.0433","","","0.1021","0.1161","","","","","","1.087","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118211","11.8294","0.0005","14.2973","0.0005","19.0353","0.0007","90","","90","","90","","3219.4","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H33.5 N O4.25 S -","- C40 H33.5 N O4.25 S -","- C160 H134 N4 O17 S4 -","4","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0876","0.0757","","","0.1693","0.1824","","","","","","1.161","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118212","26.035","0.003","9.9696","0.001","8.196","0.0008","90","","95.412","0.002","90","","2117.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 F6 N2 O4 -","- C22 H16 F6 N2 O4 -","- C88 H64 F24 N8 O16 -","4","1","","Ge-Fei Hao; Fu Wang; Hui Li; Xiao-Lei Zhu; Wen-Chao Yang; Li-Shar Huang; Jia-Wei Wu; Edward A. Berry; Guang-Fu Yang","Computational Discovery of Picomolar Qo Site Inhibitors of Cytochrome bc1 Complex","Journal of the American Chemical Society","2012","134","","11168","11176","10.1021/ja3001908","","","0.71073","MoKα","","0.1219","0.0703","","","0.1467","0.1656","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118213","12.0588","0.0006","16.9746","0.0009","13.2038","0.0007","90","","112.895","0.001","90","","2489.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F12 N O3 W -","- C23 H19 F12 N O3 W -","- C92 H76 F48 N4 O12 W4 -","4","1","","Matthew E. O'Reilly; Ion Ghiviriga; Khalil A. Abboud; Adam S. Veige","A New ONO3-Trianionic Pincer-Type Ligand for Generating Highly Nucleophilic Metal-Carbon Multiple Bonds","Journal of the American Chemical Society","2012","134","","11185","11195","10.1021/ja302222s","","","0.71073","MoKα","","0.03","0.0187","","","0.0338","0.0352","","","","","","0.901","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118214","8.5483","0.0003","9.4574","0.0003","19.5076","0.0006","86.891","0.002","82.183","0.002","70.699","0.002","1474.54","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H26.94 Br0.03 F12 N O3 W -","- C27 H26 Br0.03 F12 N O3 W -","- C54 H52 Br0.06 F24 N2 O6 W2 -","2","1","","Matthew E. O'Reilly; Ion Ghiviriga; Khalil A. Abboud; Adam S. Veige","A New ONO3-Trianionic Pincer-Type Ligand for Generating Highly Nucleophilic Metal-Carbon Multiple Bonds","Journal of the American Chemical Society","2012","134","","11185","11195","10.1021/ja302222s","","","0.71073","MoKα","","0.0337","0.0251","","","0.0476","0.0503","","","","","","1.05","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118215","13.567","0.0012","15.9004","0.0013","12.846","0.001","90","","98.956","0.005","90","","2737.4","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 N4 S5 -","- C30 H16 N4 S5 -","- C120 H64 N16 S20 -","4","0.5","","Roland Fitzner; Elena Mena-Osteritz; Amaresh Mishra; Gisela Schulz; Egon Reinold; Matthias Weil; Christian Körner; Hannah Ziehlke; Chris Elschner; Karl Leo; Moritz Riede; Martin Pfeiffer; Christian Uhrich; Peter Bäuerle","Correlation of π-Conjugated Oligomer Structure with Film Morphology and Organic Solar Cell Performance","Journal of the American Chemical Society","2012","134","","11064","11067","10.1021/ja302320c","","","0.71073","MoKα","","0.0803","0.0574","","","0.137","0.1527","","","","","","1.081","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118216","15.3726","0.0006","16.4674","0.0008","17.1716","0.0006","90","","105.749","0.002","90","","4183.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H35 F3 N2 O3 -","- C31 H35 F3 N2 O3 -","- C186 H210 F18 N12 O18 -","6","3","","Nongnaphat Duangdee; Wacharee Harnying; Giuseppe Rulli; Jörg-M. Neudörfl; Harald Gröger; Albrecht Berkessel","Highly Enantioselective Organocatalytic Trifluoromethyl Carbinol Synthesis-A Caveat on Reaction Times and Product Isolation","Journal of the American Chemical Society","2012","134","","11196","11205","10.1021/ja302511t","","","0.71073","MoKα","","0.0858","0.0409","","","0.0849","0.1045","","","","","","0.975","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118217","9.2509","0.0006","15.2491","0.0015","15.8315","0.0015","90","","90","","90","","2233.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Cl F3 O2 -","- C11 H10 Cl F3 O2 -","- C88 H80 Cl8 F24 O16 -","8","2","","Nongnaphat Duangdee; Wacharee Harnying; Giuseppe Rulli; Jörg-M. Neudörfl; Harald Gröger; Albrecht Berkessel","Highly Enantioselective Organocatalytic Trifluoromethyl Carbinol Synthesis-A Caveat on Reaction Times and Product Isolation","Journal of the American Chemical Society","2012","134","","11196","11205","10.1021/ja302511t","","","0.71073","MoKα","","0.098","0.0464","","","0.0667","0.0784","","","","","","0.974","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118218","20.563","0.0018","5.9491","0.0005","19.7934","0.0018","90","","109.926","0.003","90","","2276.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 Cl F3 O2 -","- C11 H10 Cl F3 O2 -","- C88 H80 Cl8 F24 O16 -","8","1","","Nongnaphat Duangdee; Wacharee Harnying; Giuseppe Rulli; Jörg-M. Neudörfl; Harald Gröger; Albrecht Berkessel","Highly Enantioselective Organocatalytic Trifluoromethyl Carbinol Synthesis-A Caveat on Reaction Times and Product Isolation","Journal of the American Chemical Society","2012","134","","11196","11205","10.1021/ja302511t","","","0.71073","MoKα","","0.0683","0.0378","","","0.0852","0.0958","","","","","","0.951","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118219","8.8952","0.0009","7.6628","0.0005","16.6493","0.0016","90","","117.473","0.005","90","","1006.87","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F3 N O -","- C10 H10 F3 N O -","- C40 H40 F12 N4 O4 -","4","1","","Nongnaphat Duangdee; Wacharee Harnying; Giuseppe Rulli; Jörg-M. Neudörfl; Harald Gröger; Albrecht Berkessel","Highly Enantioselective Organocatalytic Trifluoromethyl Carbinol Synthesis-A Caveat on Reaction Times and Product Isolation","Journal of the American Chemical Society","2012","134","","11196","11205","10.1021/ja302511t","","","0.71073","MoKα","","0.0911","0.0426","","","0.0685","0.0798","","","","","","1.011","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118220","11.1381","0.0002","13.5002","0.0003","16.7786","0.0003","83.763","0.001","73.921","0.001","70.688","0.001","2287.43","0.08","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C55 H54 O12 -","- C55 H54 O12 -","- C110 H108 O24 -","2","1","","Shinji Ando; Eisuke Ohta; Atsuko Kosaka; Daisuke Hashizume; Hiroyuki Koshino; Takanori Fukushima; Takuzo Aida","Remarkable Effects of Terminal Groups and Solvents on Helical Folding of o-Phenylene Oligomers","Journal of the American Chemical Society","2012","134","","11084","11087","10.1021/ja303117z","","","1.54187","CuKα","","0.0345","0.0321","","","0.0807","0.0823","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118221","12.501","0.0011","15.3747","0.0015","16.5206","0.0016","78.999","0.005","76.081","0.005","75.721","0.005","2957.5","0.5","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C68 H68 N2 O16 -","- C68 H68 N2 O16 -","- C136 H136 N4 O32 -","2","1","","Shinji Ando; Eisuke Ohta; Atsuko Kosaka; Daisuke Hashizume; Hiroyuki Koshino; Takanori Fukushima; Takuzo Aida","Remarkable Effects of Terminal Groups and Solvents on Helical Folding of o-Phenylene Oligomers","Journal of the American Chemical Society","2012","134","","11084","11087","10.1021/ja303117z","","","0.71073","MoKα","","0.0924","0.0664","","","0.1578","0.1779","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118222","23.9264","0.0008","19.2244","0.0007","39.5966","0.0014","90","","96.328","0.002","90","","18102.3","1.1","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C167 H157 Cl15 N34 O30 -","- C167 H157 Cl15 N34 O30 -","- C668 H628 Cl60 N136 O120 -","4","1","","Yann Ferrand; Nagula Chandramouli; Amol M. Kendhale; Christophe Aube; Brice Kauffmann; Axelle Grélard; Michel Laguerre; Didier Dubreuil; Ivan Huc","Long-Range Effects on the Capture and Release of a Chiral Guest by a Helical Molecular Capsule","Journal of the American Chemical Society","2012","134","","11282","11288","10.1021/ja304322c","","","1.5418","CuKα","","0.2598","0.1385","","","0.3745","0.4317","","","","","","1.153","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118223","40.8514","0.0009","37.8785","0.0012","31.65","0.0009","90","","90.577","0.001","90","","48972","2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C160 H160 Cl9 N40 O40 -","- C207 H162 Cl3 N41 O33 -","- C1656 H1296 Cl24 N328 O264 -","8","2","","Yann Ferrand; Nagula Chandramouli; Amol M. Kendhale; Christophe Aube; Brice Kauffmann; Axelle Grélard; Michel Laguerre; Didier Dubreuil; Ivan Huc","Long-Range Effects on the Capture and Release of a Chiral Guest by a Helical Molecular Capsule","Journal of the American Chemical Society","2012","134","","11282","11288","10.1021/ja304322c","","","1.5418","CuKα","","0.2941","0.1733","","","0.4277","0.4867","","","","","","1.129","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118224","45.603","0.009","20.476","0.004","38.07","0.008","90","","121.73","0.03","90","","30235","14","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C276 H264 Cl6 N50 O42 -","- C276 H264 Cl6 N50 O42 -","- C1104 H1056 Cl24 N200 O168 -","4","0.5","","Yann Ferrand; Nagula Chandramouli; Amol M. Kendhale; Christophe Aube; Brice Kauffmann; Axelle Grélard; Michel Laguerre; Didier Dubreuil; Ivan Huc","Long-Range Effects on the Capture and Release of a Chiral Guest by a Helical Molecular Capsule","Journal of the American Chemical Society","2012","134","","11282","11288","10.1021/ja304322c","","","1.54178","CuKα","","0.1533","0.1183","","","0.349","0.3827","","","","","","1.408","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118225","30.056","0.006","37.668","0.008","16.799","0.003","90","","90","","90","","19019","7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C194.5 H179 Cl6 N34 O36 -","- C195 H179 Cl6 N34 O36 -","- C780 H716 Cl24 N136 O144 -","4","1","","Yann Ferrand; Nagula Chandramouli; Amol M. Kendhale; Christophe Aube; Brice Kauffmann; Axelle Grélard; Michel Laguerre; Didier Dubreuil; Ivan Huc","Long-Range Effects on the Capture and Release of a Chiral Guest by a Helical Molecular Capsule","Journal of the American Chemical Society","2012","134","","11282","11288","10.1021/ja304322c","","","0.876","","","0.0801","0.0773","","","0.2091","0.212","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118226","9.72","0.0003","15.2412","0.0006","15.4722","0.0005","77.063","0.002","75.369","0.002","85.914","0.002","2161.24","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H35 Cl2 Cr N5 O2 -","- C16 H35 Cl2 Cr N5 O2 -","- C64 H140 Cl8 Cr4 N20 O8 -","4","2","","Jaeheung Cho; Jaeyoung Woo; Wonwoo Nam","A Chromium(III)-Superoxo Complex in Oxygen Atom Transfer Reactions as a Chemical Model of Cysteine Dioxygenase","Journal of the American Chemical Society","2012","134","","11112","11115","10.1021/ja304357z","","","0.71073","MoKα","","0.0877","0.0518","","","0.1217","0.1409","","","","","","1.026","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118227","6.3826","0.0002","17.8095","0.0007","14.7575","0.0005","90","","99.669","0.004","90","","1653.67","0.1","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H25 N O2 S -","- C17 H25 N O2 S -","- C68 H100 N4 O8 S4 -","4","2","","Chu-Ting Yang; Zhen-Qi Zhang; Jun Liang; Jing-Hui Liu; Xiao-Yu Lu; Huan-Huan Chen; Lei Liu","Copper-Catalyzed Cross-Coupling of Nonactivated Secondary Alkyl Halides and Tosylates with Secondary Alkyl Grignard Reagents","Journal of the American Chemical Society","2012","134","","11124","11127","10.1021/ja304848n","","","0.71073","MoKα","","0.0545","0.0407","","","0.0831","0.0912","","","","","","1.053","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118228","5.9312","0.0002","8.3499","0.0005","25.2556","0.0013","90","","96.592","0.004","90","","1242.51","0.11","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H33 N O3 S -","- C28 H33 N O3 S -","- C56 H66 N2 O6 S2 -","2","1","","Chu-Ting Yang; Zhen-Qi Zhang; Jun Liang; Jing-Hui Liu; Xiao-Yu Lu; Huan-Huan Chen; Lei Liu","Copper-Catalyzed Cross-Coupling of Nonactivated Secondary Alkyl Halides and Tosylates with Secondary Alkyl Grignard Reagents","Journal of the American Chemical Society","2012","134","","11124","11127","10.1021/ja304848n","","","1.54184","CuKα","","0.0599","0.0496","","","0.1336","0.1468","","","","","","1.018","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118229","9.846","0.002","11.129","0.002","11.284","0.002","66.923","0.003","69.839","0.003","74.74","0.004","1056","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Co N5 O -","- C24 H30 Co N5 O -","- C48 H60 Co2 N10 O2 -","2","1","","Julia Kozhukh; Stephen J. Lippard","Influence of Tetraazamacrocyclic Ligands on the Nitric Oxide Reactivity of their Cobalt(II) Complexes","Journal of the American Chemical Society","2012","134","","11120","11123","10.1021/ja305011g","","","0.71073","MoKα","","0.0468","0.036","","","0.0758","0.0806","","","","","","1.035","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118230","29.641","0.005","22.626","0.004","10.566","0.002","90","","90","","90","","7086","2","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C78 H102 Co3 N13 O2 -","- C78 H102 Co3 N13 O2 -","- C312 H408 Co12 N52 O8 -","4","0.5","","Julia Kozhukh; Stephen J. Lippard","Influence of Tetraazamacrocyclic Ligands on the Nitric Oxide Reactivity of their Cobalt(II) Complexes","Journal of the American Chemical Society","2012","134","","11120","11123","10.1021/ja305011g","","","0.71073","MoKα","","0.0375","0.0303","","","0.0712","0.0808","","","","","","1.117","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4118231","7.9786","0.0007","12.0151","0.0011","14.8237","0.0013","90","","104.233","0.001","90","","1377.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Co2 N8 O4 -","- C26 H34 Co2 N8 O4 -","- C52 H68 Co4 N16 O8 -","2","0.5","","Julia Kozhukh; Stephen J. Lippard","Influence of Tetraazamacrocyclic Ligands on the Nitric Oxide Reactivity of their Cobalt(II) Complexes","Journal of the American Chemical Society","2012","134","","11120","11123","10.1021/ja305011g","","","0.71073","MoKα","","0.0275","0.0231","","","0.0595","0.0622","","","","","","1.043","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118232","25.396","0.006","7.751","0.002","27.382","0.007","90","","111.766","0.004","90","","5006","2","153","2","153","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C31 H27 Br N2 O -","- C31 H27 Br N2 O -","- C248 H216 Br8 N16 O8 -","8","2","","Daniel H. Paull; Chao Fang; James R. Donald; Andrew D. Pansick; Stephen F. Martin","Bifunctional Catalyst Promotes Highly Enantioselective Bromolactonizations To Generate Stereogenic C-Br Bonds","Journal of the American Chemical Society","2012","134","","11128","11131","10.1021/ja305117m","","","0.71075","MoKα","","0.1465","0.0813","","","0.1653","0.1966","","","","","","0.995","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118233","6.3044","0.0012","9.775","0.002","16.431","0.003","90","","90","","90","","1012.6","0.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Br O2 -","- C9 H15 Br O2 -","- C36 H60 Br4 O8 -","4","1","","Daniel H. Paull; Chao Fang; James R. Donald; Andrew D. Pansick; Stephen F. Martin","Bifunctional Catalyst Promotes Highly Enantioselective Bromolactonizations To Generate Stereogenic C-Br Bonds","Journal of the American Chemical Society","2012","134","","11128","11131","10.1021/ja305117m","","","0.71075","MoKα","","0.0394","0.0354","","","0.083","0.0852","","","","","","1.068","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118234","7.2049","0.0012","5.3099","0.001","9.434","0.002","90","","92.18","0.004","90","","360.66","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H7 Br O2 -","- C7 H7 Br O2 -","- C14 H14 Br2 O4 -","2","1","","Daniel H. Paull; Chao Fang; James R. Donald; Andrew D. Pansick; Stephen F. Martin","Bifunctional Catalyst Promotes Highly Enantioselective Bromolactonizations To Generate Stereogenic C-Br Bonds","Journal of the American Chemical Society","2012","134","","11128","11131","10.1021/ja305117m","","","0.71075","MoKα","","0.0187","0.0186","","","0.0496","0.0497","","","","","","1.067","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118235","11.9269","0.0006","18.0042","0.001","17.4685","0.0009","90","","107.486","0.001","90","","3577.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 N O3 P Pd -","- C38 H54 N O3 P Pd -","- C152 H216 N4 O12 P4 Pd4 -","4","1","","Ekaterina V. Vinogradova; Brett P. Fors; Stephen L. Buchwald","Palladium-Catalyzed Cross-Coupling of Aryl Chlorides and Triflates with Sodium Cyanate: A Practical Synthesis of Unsymmetrical Ureas","Journal of the American Chemical Society","2012","134","","11132","11135","10.1021/ja305212v","","","0.71073","MoKα","","0.0293","0.0254","","","0.0652","0.0678","","","","","","1.075","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118236","8.30167","0.00016","8.30167","0.00016","3.84632","0.00009","90","","90","","90","","265.08","0.01","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba0.8 Fe O2 Sr0.2 -","- Ba0.8 Fe O1.99975 Sr0.2 -","- Ba3.2 Fe4 O7.999 Sr0.8 -","4","0.25","","Takafumi Yamamoto; Yoji Kobayashi; Naoaki Hayashi; Cédric Tassel; Takashi Saito; Shoji Yamanaka; Mikio Takano; Kenji Ohoyama; Yuichi Shimakawa; Kazuyoshi Yoshimura; Hiroshi Kageyama","(Sr1-xBax)FeO2 (0.4 <=x<= 1): A New Oxygen-Deficient Perovskite Structure","Journal of the American Chemical Society","2012","134","","11444","11454","10.1021/ja3007403","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118237","19.205","0.0004","23.3121","0.0005","20.2621","0.0004","90","","90.498","0.002","90","","9071.2","0.3","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C190 H198 F2 N40 O28 -","- C190 H198 F2 N40 O28 -","- C380 H396 F4 N80 O56 -","2","1","","Mee-Kyung Chung; Peter S. White; Stephen J. Lee; Marcey L. Waters; Michel R. Gagné","Self-Assembled Multi-Component Catenanes: Structural Insights into an Adaptable Class of Molecular Receptors and [2]-Catenanes","Journal of the American Chemical Society","2012","134","","11415","11429","10.1021/ja302345n","","","1.54178","CuKα","","0.1108","0.0857","","","0.2305","0.2468","","","","","","1.021","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118238","26.5692","0.0008","18.3016","0.0006","20.3207","0.0005","90","","90","","90","","9881.1","0.5","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C170 H186 F2 N32 O24 -","- C170 H186 F2 N32 O24 -","- C340 H372 F4 N64 O48 -","2","0.5","","Mee-Kyung Chung; Peter S. White; Stephen J. Lee; Marcey L. Waters; Michel R. Gagné","Self-Assembled Multi-Component Catenanes: Structural Insights into an Adaptable Class of Molecular Receptors and [2]-Catenanes","Journal of the American Chemical Society","2012","134","","11415","11429","10.1021/ja302345n","","","1.54184","CUKα","","0.0945","0.0658","","","0.1792","0.1951","","","","","","0.966","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118239","47.4778","0.0013","47.4778","0.0013","17.0113","0.0006","90","","90","","120","","33208.5","1.7","100","","100","","","","","","","","","6","P 65","P 65","170","","","","- C177 H188 Cl3 F3 N32 O25 -","- C177 H188 Cl3 F3 N32 O25 -","- C1062 H1128 Cl18 F18 N192 O150 -","6","1","","Mee-Kyung Chung; Peter S. White; Stephen J. Lee; Marcey L. Waters; Michel R. Gagné","Self-Assembled Multi-Component Catenanes: Structural Insights into an Adaptable Class of Molecular Receptors and [2]-Catenanes","Journal of the American Chemical Society","2012","134","","11415","11429","10.1021/ja302345n","","","1.54184","CuKα","","0.0707","0.0479","","","0.1089","0.1143","","","","","","0.89","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118240","22.4604","0.0006","25.1013","0.0006","35.8922","0.001","90","","90","","90","","20235.5","0.9","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4054-s12","","- C88 H79 Cl3 N16 O13 -","- C88 H79 Cl3 N16 O13 -","- C704 H632 Cl24 N128 O104 -","8","2","","Mee-Kyung Chung; Peter S. White; Stephen J. Lee; Marcey L. Waters; Michel R. Gagné","Self-Assembled Multi-Component Catenanes: Structural Insights into an Adaptable Class of Molecular Receptors and [2]-Catenanes","Journal of the American Chemical Society","2012","134","","11415","11429","10.1021/ja302345n","","","1.54184","MoKα","","0.0573","0.0482","","","0.1271","0.1313","","","","","","0.953","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4118241","3.9995","0.00004","3.9995","","7.80056","0.0002","90","","90","","90","","124.778","0.003","","","","","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- Ca Ge H Mn0.1 Ni0.9 -","- Ca Ge H Mn0.1 Ni0.9 -","- Ca2 Ge2 H2 Mn0.2 Ni1.8 -","2","0.125","","Xiaofeng Liu; Satoru Matsuishi; Satoru Fujitsu; Toru Ishigaki; Takashi Kamiyama; Hideo Hosono","Layered Hydride CaNiGeH with a ZrCuSiAs-type Structure: Crystal Structure, Chemical Bonding, and Magnetism Induced by Mn Doping","Journal of the American Chemical Society","2012","134","","11687","11694","10.1021/ja3026104","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118242","4.00062","0.00005","4.00062","","7.77622","0.00009","90","","90","","90","","124.458","0.002","","","","","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- Ca Ge H Mn0.05 Ni0.95 -","- Ca Ge H Mn0.05 Ni0.95 -","- Ca2 Ge2 H2 Mn0.1 Ni1.9 -","2","0.125","","Xiaofeng Liu; Satoru Matsuishi; Satoru Fujitsu; Toru Ishigaki; Takashi Kamiyama; Hideo Hosono","Layered Hydride CaNiGeH with a ZrCuSiAs-type Structure: Crystal Structure, Chemical Bonding, and Magnetism Induced by Mn Doping","Journal of the American Chemical Society","2012","134","","11687","11694","10.1021/ja3026104","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118243","3.999502","0.000034","3.999502","","7.75966","0.00017","90","","90","","90","","124.124","0.003","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Ca D Ge Ni -","- Ca D Ge Ni -","- Ca2 D2 Ge2 Ni2 -","2","0.125","","Xiaofeng Liu; Satoru Matsuishi; Satoru Fujitsu; Toru Ishigaki; Takashi Kamiyama; Hideo Hosono","Layered Hydride CaNiGeH with a ZrCuSiAs-type Structure: Crystal Structure, Chemical Bonding, and Magnetism Induced by Mn Doping","Journal of the American Chemical Society","2012","134","","11687","11694","10.1021/ja3026104","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118244","4.00379","0.00004","4.00379","","7.76501","0.0002","90","","90","","90","","124.476","0.003","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Ca Ge H Ni -","- Ca Ge H Ni -","- Ca2 Ge2 H2 Ni2 -","2","0.125","","Xiaofeng Liu; Satoru Matsuishi; Satoru Fujitsu; Toru Ishigaki; Takashi Kamiyama; Hideo Hosono","Layered Hydride CaNiGeH with a ZrCuSiAs-type Structure: Crystal Structure, Chemical Bonding, and Magnetism Induced by Mn Doping","Journal of the American Chemical Society","2012","134","","11687","11694","10.1021/ja3026104","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118245","11.5987","0.0018","10.7814","0.0016","23.414","0.004","90","","90","","90","","2927.9","0.8","273","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H22 N O2 P -","- C12 H22 N O2 P -","- C96 H176 N8 O16 P8 -","8","1","","Nicole L. Dunn; Minji Ha; Alexander T. Radosevich","Main Group Redox Catalysis: Reversible PIII/PV Redox Cycling at a Phosphorus Platform","Journal of the American Chemical Society","2012","134","","11330","11333","10.1021/ja302963p","","","0.71073","MoKα","","0.0742","0.0588","","","0.1305","0.1382","","","","","","1.118","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118246","10.4339","0.0001","10.3572","0.0002","18.9283","0.0003","90","","90.16","0.001","90","","2045.5","0.05","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 B Cl N O5 -","- C18 H27 B Cl N O5 -","- C72 H108 B4 Cl4 N4 O20 -","4","1","","Philipp C. Roosen; Venkata A. Kallepalli; Buddhadeb Chattopadhyay; Daniel A. Singleton; Robert E. Maleczka; Milton R. Smith","Outer-Sphere Direction in Iridium C-H Borylation","Journal of the American Chemical Society","2012","134","","11350","11353","10.1021/ja303443m","","x-ray","1.54178","CuKα","","0.0483","0.0422","","","0.1083","0.112","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118247","31.1629","0.0007","9.4125","0.0002","13.7729","0.0002","90","","102.403","0.001","90","","3945.59","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 B Br N O4 -","- C17 H25 B Br N O4 -","- C136 H200 B8 Br8 N8 O32 -","8","2","","Philipp C. Roosen; Venkata A. Kallepalli; Buddhadeb Chattopadhyay; Daniel A. Singleton; Robert E. Maleczka; Milton R. Smith","Outer-Sphere Direction in Iridium C-H Borylation","Journal of the American Chemical Society","2012","134","","11350","11353","10.1021/ja303443m","","x-ray","0.71073","MoKα","","0.1057","0.0603","","","0.1543","0.1865","","","","","","0.981","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118248","10.699","0.0011","18.0954","0.0019","20.924","0.002","90","","90","","90","","4050.9","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H25 B F3 N O4 -","- C18 H25 B F3 N O4 -","- C144 H200 B8 F24 N8 O32 -","8","1","","Philipp C. Roosen; Venkata A. Kallepalli; Buddhadeb Chattopadhyay; Daniel A. Singleton; Robert E. Maleczka; Milton R. Smith","Outer-Sphere Direction in Iridium C-H Borylation","Journal of the American Chemical Society","2012","134","","11350","11353","10.1021/ja303443m","","x-ray","0.71073","MoKα","","0.0659","0.0424","","","0.0942","0.1051","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118249","9.5289","0.0005","35.4913","0.0019","13.1869","0.0008","90","","91.204","0.003","90","","4458.7","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H31 B N2 O6 -","- C20 H31 B N2 O6 -","- C160 H248 B8 N16 O48 -","8","4","","Philipp C. Roosen; Venkata A. Kallepalli; Buddhadeb Chattopadhyay; Daniel A. Singleton; Robert E. Maleczka; Milton R. Smith","Outer-Sphere Direction in Iridium C-H Borylation","Journal of the American Chemical Society","2012","134","","11350","11353","10.1021/ja303443m","","x-ray","1.54178","CuKα","","0.0999","0.0782","","","0.2242","0.2409","","","","","","1.036","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118250","28.3485","0.0009","14.5614","0.0005","27.5959","0.0013","90","","120.534","0.001","90","","9811.7","0.7","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H140 O44 Ti17 -","- C60 H140 O44 Ti17 -","- C240 H560 O176 Ti68 -","4","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0644","0.0439","","","0.1079","0.1315","","","","","","1.107","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118251","24.4999","0.0014","25.7959","0.0014","16.7621","0.0009","90","","90","","90","","10593.6","1","90","2","90","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C68 H140 O48 Ti17 -","- C68 H140 O48 Ti17 -","- C272 H560 O192 Ti68 -","4","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0597","0.0446","","","0.1097","0.1303","","","","","","1.149","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118252","15.698","0.0006","17.3278","0.0006","26.4054","0.001","90.276","0.001","98.604","0.001","113.181","0.001","6512.3","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H162 Cl2 N4 O48 Ti17 -","- C93 H162 Cl2 N4 O48 Ti17 -","- C186 H324 Cl4 N8 O96 Ti34 -","2","1","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.1343","0.0751","","","0.177","0.2154","","","","","","1.03","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118253","29.948","0.002","13.7625","0.001","32.938","0.003","90","","104.365","0.001","90","","13151.3","1.8","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C95 H178 N2 O53 Ti17 -","- C86 H154 N2 O50 Ti17 -","- C344 H616 N8 O200 Ti68 -","4","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0883","0.0618","","","0.1591","0.1727","","","","","","1.056","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118254","39.0484","0.0015","39.0484","0.0015","13.8013","0.0006","90","","90","","90","","21043.9","1.5","90","2","90","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C84 H148 N4 O48 Ti17 -","- C84 H148 N4 O48 Ti17 -","- C336 H592 N16 O192 Ti68 -","4","0.25","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.1083","0.0584","","","0.1493","0.168","","","","","","0.959","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118255","14.6316","0.001","31.498","0.002","15.8161","0.0014","90","","117.548","0.002","90","","6462.7","0.8","90","2","90","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C96 H166 N6 O48 Ti17 -","- C96 H166 N6 O48 Ti17 -","- C192 H332 N12 O96 Ti34 -","2","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0995","0.058","","","0.1319","0.1549","","","","","","1.058","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118256","27.857","0.003","27.857","0.003","13.2097","0.0012","90","","90","","90","","10250.9","1.8","90","2","90","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C72 H128 N4 O48 Ti17 -","- C72 H128 N4 O48 Ti17 -","- C288 H512 N16 O192 Ti68 -","4","0.25","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0777","0.0475","","","0.1133","0.138","","","","","","1.124","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118257","38.622","0.003","14.0053","0.0008","30.3354","0.0019","90","","97.022","0.002","90","","16285.7","1.9","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C134 H194 N4 O56 Ti17 -","- C134 H194 N4 O56 Ti17 -","- C536 H776 N16 O224 Ti68 -","4","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0657","0.0386","","","0.0913","0.1064","","","","","","1.056","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118258","29.808","0.001","14.0777","0.0005","27.9437","0.001","90","","103.594","0.001","90","","11397.5","0.7","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H140 O46 Ti17 -","- C72 H140 O46 Ti17 -","- C288 H560 O184 Ti68 -","4","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.1205","0.063","","","0.1717","0.2385","","","","","","1.14","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118259","14.2444","0.0006","19.1492","0.0008","26.1335","0.001","75.139","0.001","84.942","0.001","77.348","0.001","6718.8","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C89 H182 O60 Ti18 -","- C78 H158 O57 Ti18 -","- C156 H316 O114 Ti36 -","2","1","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0943","0.0569","","","0.14","0.1544","","","","","","1.031","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118260","15.1566","0.0009","20.9363","0.0013","23.8427","0.0014","104.868","0.002","103.544","0.002","99.587","0.002","6899.3","0.7","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C216 H342 N6 O92 Ti34 -","- C144 H270 N6 O92 Ti34 -","- C144 H270 N6 O92 Ti34 -","1","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.1216","0.0674","","","0.1603","0.1789","","","","","","0.95","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118261","14.4526","0.0007","26.2634","0.0015","13.1445","0.0008","90","","106.054","0.004","90","","4794.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H49 F12 N11 O4 P2 -","- C42 H49 F12 N11 O4 P2 -","- C168 H196 F48 N44 O16 P8 -","4","1","","Zhixue Zhu; Albert C. Fahrenbach; Hao Li; Jonathan C. Barnes; Zhichang Liu; Scott M. Dyar; Huacheng Zhang; Juying Lei; Raanan Carmieli; Amy A. Sarjeant; Charlotte L. Stern; Michael R. Wasielewski; J. Fraser Stoddart","Controlling Switching in Bistable [2]Catenanes by Combining Donor-Acceptor and Radical-Radical Interactions","Journal of the American Chemical Society","2012","134","","11709","11720","10.1021/ja3037355","","","1.54178","CuKα","","0.0853","0.0634","","","0.1685","0.185","","","","","","1.04","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118262","7.1653","0.0009","11.657","0.0013","35.452","0.004","85.531","0.006","88.138","0.006","74.956","0.006","2850.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H68 N12 Ni O11 S4 -","- C52 H56 N12 Ni O8 S4 -","- C104 H112 N24 Ni2 O16 S8 -","2","1","","Zhixue Zhu; Albert C. Fahrenbach; Hao Li; Jonathan C. Barnes; Zhichang Liu; Scott M. Dyar; Huacheng Zhang; Juying Lei; Raanan Carmieli; Amy A. Sarjeant; Charlotte L. Stern; Michael R. Wasielewski; J. Fraser Stoddart","Controlling Switching in Bistable [2]Catenanes by Combining Donor-Acceptor and Radical-Radical Interactions","Journal of the American Chemical Society","2012","134","","11709","11720","10.1021/ja3037355","","","0.71073","MoKα","","0.1425","0.0862","","","0.2494","0.2789","","","","","","1.167","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118263","18.8272","0.0004","20.3121","0.0004","56.4665","0.001","90","","95.294","0.001","90","","21501.8","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C186 H215 F72 N37 O16 P12 -","- C186 H215 F72 N37 O16 P12 -","- C744 H860 F288 N148 O64 P48 -","4","0.5","","Zhixue Zhu; Albert C. Fahrenbach; Hao Li; Jonathan C. Barnes; Zhichang Liu; Scott M. Dyar; Huacheng Zhang; Juying Lei; Raanan Carmieli; Amy A. Sarjeant; Charlotte L. Stern; Michael R. Wasielewski; J. Fraser Stoddart","Controlling Switching in Bistable [2]Catenanes by Combining Donor-Acceptor and Radical-Radical Interactions","Journal of the American Chemical Society","2012","134","","11709","11720","10.1021/ja3037355","","","1.54178","CuKα","","0.1407","0.1332","","","0.4255","0.4325","","","","","","1.982","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118264","32.7648","0.0017","11.0431","0.0006","33.1123","0.0016","90","","117.905","0.003","90","","10587.8","1","99.99","","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H84 F36 N12 O6 P6 -","- C78 H84 F30 N12 O6 P5 -","- C312 H336 F120 N48 O24 P20 -","4","1","","Zhixue Zhu; Albert C. Fahrenbach; Hao Li; Jonathan C. Barnes; Zhichang Liu; Scott M. Dyar; Huacheng Zhang; Juying Lei; Raanan Carmieli; Amy A. Sarjeant; Charlotte L. Stern; Michael R. Wasielewski; J. Fraser Stoddart","Controlling Switching in Bistable [2]Catenanes by Combining Donor-Acceptor and Radical-Radical Interactions","Journal of the American Chemical Society","2012","134","","11709","11720","10.1021/ja3037355","","","1.54184","CuKα","","0.1495","0.1045","","","0.2938","0.3165","","","","","","1.091","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118265","12.7633","0.0001","10.8231","0.0001","12.8029","0.0002","90","","118.39","0.002","90","","1555.87","0.04","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Cs3 Mn2 O4 -","- Cs3 Mn2 O4 -","- Cs24 Mn16 O32 -","8","2","","Jürgen Nuss; Maria A. Señaris-Rodriguez; Prasad L. V. K. Dasari; Moritz Stahl; Martin Jansen","Synthesis, Crystal Structure and Magnetic Properties of the New One-Dimensional Manganate Cs3Mn2O4","Journal of the American Chemical Society","2012","134","","11734","11739","10.1021/ja303889g","","x-ray","0.71073","MoKα","","0.0426","0.0407","","","0.1199","0.1209","","","","","","1.098","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118266","15.9265","0.0003","13.5014","0.0003","32.9014","0.001","90","","91.195","0.002","90","","7073.3","0.3","100","","100","","","","","","","","MAT ETH Zurich","5","P 1 21/c 1","-P 2ybc","14","","","","- C188 H128 Cl8 N12 O5 -","- C188 H128 Cl8 N12 O5 -","- C376 H256 Cl16 N24 O10 -","2","0.5","","Ming Li; A. Dieter Schlüter; Junji Sakamoto","Solid-State Photopolymerization of a Shape-Persistent Macrocycle with Two 1,8-Diazaanthracene Units in a Single Crystal","Journal of the American Chemical Society","2012","134","","11721","11725","10.1021/ja3038905","","","0.71073","MoKα","","0.2202","0.1394","","","0.2974","0.3301","","","","","","1.594","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118267","8.8876","0.001","16.169","0.002","17.719","0.002","109.431","0.005","95.06","0.004","94.026","0.005","2378.4","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H45 Cl3 N4 -","- C63 H45 Cl3 N4 -","- C126 H90 Cl6 N8 -","2","1","","Ming Li; A. Dieter Schlüter; Junji Sakamoto","Solid-State Photopolymerization of a Shape-Persistent Macrocycle with Two 1,8-Diazaanthracene Units in a Single Crystal","Journal of the American Chemical Society","2012","134","","11721","11725","10.1021/ja3038905","","","0.71073","MoKα","","0.1877","0.0798","","","0.1846","0.2371","","","","","","1.012","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118268","22.5095","0.0008","29.458","0.002","16.5367","0.0008","90","","131.595","0.002","90","","8200.4","0.8","100","","100","","","","","","","","LOC ETH Zurich","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H64 Cl12 N6 O2 -","- C96 H64 Cl12 N6 O2 -","- C384 H256 Cl48 N24 O8 -","4","0.5","","Ming Li; A. Dieter Schlüter; Junji Sakamoto","Solid-State Photopolymerization of a Shape-Persistent Macrocycle with Two 1,8-Diazaanthracene Units in a Single Crystal","Journal of the American Chemical Society","2012","134","","11721","11725","10.1021/ja3038905","","","0.71073","MoKα","","0.2157","0.1082","","","0.2309","0.2884","","","","","","1.26","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118269","22.3446","0.0008","29.3622","0.0016","16.6429","0.0006","90","","131.806","0.002","90","","8139.2","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C188 H68 Cl28 N12 O5 -","- C104 Cl8 N6 O2 -","- C416 Cl32 N24 O8 -","4","0.5","","Ming Li; A. Dieter Schlüter; Junji Sakamoto","Solid-State Photopolymerization of a Shape-Persistent Macrocycle with Two 1,8-Diazaanthracene Units in a Single Crystal","Journal of the American Chemical Society","2012","134","","11721","11725","10.1021/ja3038905","","","0.71073","MoKα","","0.1531","0.1203","","","0.391","0.4261","","","","","","1.756","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118270","13.5218","0.0008","18.4068","0.0011","20.5993","0.0012","113.1","0.003","96.916","0.003","104.268","0.003","4432.9","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H92 Mo14 N4 O51 S14 -","- C24 H24 Mo14 N4 O51 S14 -","- C48 H48 Mo28 N8 O102 S28 -","2","1","","HongYing Zang; Haralampos N. Miras; Jun Yan; De-Liang Long; Leroy Cronin","Assembly and Autochirogenesis of a Chiral Inorganic Polythioanion Möbius Strip via Symmetry Breaking","Journal of the American Chemical Society","2012","134","","11376","11379","10.1021/ja304371j","","","0.71073","MoKα","","0.0579","0.0371","","","0.0872","0.0989","","","","","","1.026","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118271","21.6956","0.0011","9.251","0.0005","22.0442","0.0012","90","","107.579","0.002","90","","4217.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H40 K8 Mo16 O60 S12 -","- C8 K8 Mo16 O60 S12 -","- C16 K16 Mo32 O120 S24 -","2","0.5","","HongYing Zang; Haralampos N. Miras; Jun Yan; De-Liang Long; Leroy Cronin","Assembly and Autochirogenesis of a Chiral Inorganic Polythioanion Möbius Strip via Symmetry Breaking","Journal of the American Chemical Society","2012","134","","11376","11379","10.1021/ja304371j","","","0.71073","MoKα","","0.0755","0.0572","","","0.1356","0.1458","","","","","","1.102","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118272","16.647","0.0005","16.647","0.0005","41.4457","0.0015","90","","90","","120","","9946.8","0.6","150","2","150","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C12 H51 K Mo10 N2 O36 S8 -","- C12 K Mo10 N2 O36 S8 -","- C72 K6 Mo60 N12 O216 S48 -","6","0.5","","HongYing Zang; Haralampos N. Miras; Jun Yan; De-Liang Long; Leroy Cronin","Assembly and Autochirogenesis of a Chiral Inorganic Polythioanion Möbius Strip via Symmetry Breaking","Journal of the American Chemical Society","2012","134","","11376","11379","10.1021/ja304371j","","","0.71073","MoKα","","0.0709","0.0504","","","0.13","0.1464","","","","","","1.082","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118273","14.3076","0.0006","11.5924","0.0004","20.845","0.001","90","","133.274","0.003","90","","2517.2","0.2","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H16 K4 Mo10 O39 S8 -","- C4 K4 Mo10 O39 S8 -","- C8 K8 Mo20 O78 S16 -","2","1","","HongYing Zang; Haralampos N. Miras; Jun Yan; De-Liang Long; Leroy Cronin","Assembly and Autochirogenesis of a Chiral Inorganic Polythioanion Möbius Strip via Symmetry Breaking","Journal of the American Chemical Society","2012","134","","11376","11379","10.1021/ja304371j","","","0.71073","MoKα","","0.0367","0.0349","","","0.0773","0.0794","","","","","","1.153","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118274","9.0957","0.0004","10.3988","0.0004","11.9486","0.0005","89.195","0.003","67.717","0.003","77.097","0.003","1016.22","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H74 Ir2 Si4 -","- C32 H74 Ir2 Si4 -","- C32 H74 Ir2 Si4 -","1","0.5","","Chen Cheng; Maurice Brookhart","Iridium-Catalyzed Reduction of Secondary Amides to Secondary Amines and Imines by Diethylsilane","Journal of the American Chemical Society","2012","134","","11304","11307","10.1021/ja304547s","","","1.54184","CuKα","","0.0552","0.0498","","","0.1286","0.1318","","","","","","1.062","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118275","8.4863","0.0009","10.2943","0.0008","15.4841","0.0014","90","","90","","90","","1352.7","0.2","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 Br N O2 -","- C12 H20 Br N O2 -","- C48 H80 Br4 N4 O8 -","4","1","","Bryony S. Dyson; Jonathan W. Burton; Te-ik Sohn; Byungsook Kim; Hoon Bae; Deukjoon Kim","Total Synthesis and Structure Confirmation of Elatenyne: Success of Computational Methods for NMR Prediction with Highly Flexible Diastereomers","Journal of the American Chemical Society","2012","134","","11781","11790","10.1021/ja304554e","","","0.71075","MoKα","","","0.0323","","","","0.0881","","","","","","1.089","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118276","8.5368","0.0008","9.0616","0.0009","13.5135","0.0014","98.953","0.006","107.827","0.005","102.345","0.005","944.29","0.17","173","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H10 O3 -","- C12 H10 O3 -","- C48 H40 O12 -","4","2","","Youn, So Won; Kim, Byung Seok; Jagdale, Arun R.","Pd-Catalyzed Sequential C‒C Bond Formation and Cleavage: Evidence for an Unexpected Generation of Arylpalladium(II) Species","Journal of the American Chemical Society","2012","134","28","11308","11311","10.1021/ja304616q","","","0.71073","MoKα","","0.0636","0.0495","","","0.1512","0.1616","","","","","","1.067","","","","has coordinates","210878","2020-10-21","18:00:00",""
"4118277","12.1461","0.0018","13.876","0.002","17.131","0.003","67.041","0.008","72.676","0.009","67.039","0.008","2411.5","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","iron(II) TBC triflate","","","- C46 H57 F6 Fe N7 O6 S2 -","- C46 H57 F6 Fe N7 O6 S2 -","- C92 H114 F12 Fe2 N14 O12 S4 -","2","1","","Samuel A. Wilson; Junying Chen; Seungwoo Hong; Yong-Min Lee; Martin Clémancey; Ricardo Garcia-Serres; Takashi Nomura; Takashi Ogura; Jean-Marc Latour; Britt Hedman; Keith O. Hodgson; Wonwoo Nam; Edward I. Solomon","[FeIV=O(TBC)(CH3CN)]2+: Comparative Reactivity of Iron(IV)-Oxo Species with Constrained Equatorial Cyclam Ligation","Journal of the American Chemical Society","2012","134","","11791","11806","10.1021/ja3046298","","","0.71073","MoKα","","0.2378","0.0803","","","0.205","0.3209","","","","","","1.15","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118278","7.3854","0.0008","5.7613","0.0006","26.815","0.003","90","","92.526","0.005","90","","1139.9","0.2","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H21 Br N2 O6 S -","- C24 H21 Br N2 O6 S -","- C48 H42 Br2 N4 O12 S2 -","2","1","","Nathan T. Jui; Jeffrey A. O. Garber; Fernanda Gadini Finelli; David W. C. MacMillan","Enantioselective Organo-SOMO Cycloadditions: A Catalytic Approach to Complex Pyrrolidines from Olefins and Aldehydes","Journal of the American Chemical Society","2012","134","","11400","11403","10.1021/ja305076b","","","0.71073","MoKα","","0.0239","0.023","","","0.0575","0.0578","","","","","","1.043","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118279","10.1987","0.0005","6.0777","0.0003","16.6677","0.0008","90","","99.679","0.003","90","","1018.43","0.09","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H21 Cl N2 O -","- C24 H21 Cl N2 O -","- C48 H42 Cl2 N4 O2 -","2","1","","Barry M. Trost; Tom M. Lam","Development of Diamidophosphite Ligands and Their Application to the Palladium-Catalyzed Vinyl-Substituted Trimethylenemethane Asymmetric [3 + 2] Cycloaddition","Journal of the American Chemical Society","2012","134","","11319","11321","10.1021/ja305717r","","","1.54178","CuKα","","0.0365","0.034","","","0.085","0.0869","","","","","","1.041","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118280","7.0555","0.0002","17.1622","0.0006","13.3154","0.0004","90","","101.11","0.002","90","","1582.12","0.09","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 F4 N2 O2 -","- C15 H18 F4 N2 O2 -","- C60 H72 F16 N8 O8 -","4","2","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.71073","MoKα","","0.0644","0.0492","","","0.1094","0.1179","","","","","","1.066","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118281","5.5639","0.0002","16.0755","0.0005","26.6196","0.0009","90","","90","","90","","2380.92","0.14","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 F4 N2 O4 -","- C20 H24 F4 N2 O4 -","- C80 H96 F16 N8 O16 -","4","1","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.71073","MoKα","","0.0905","0.0833","","","0.2438","0.2538","","","","","","1.118","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118282","7.415","0.006","18.273","0.016","22.36","0.019","90","","90","","90","","3030","4","150","","150","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C15 H16 F4 N2 O3 -","- C15 H16 F4 N2 O3 -","- C120 H128 F32 N16 O24 -","8","1","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.6889","Synchrotron","","0.0846","0.0682","","0.1705","0.1575","0.1705","","","","","","0.9169","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118283","10.1978","0.0004","24.1992","0.0013","17.2357","0.0005","90","","107.207","0.001","90","","4063","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 F4 N2 O4 -","- C19 H24 F4 N2 O4 -","- C152 H192 F32 N16 O32 -","8","4","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.6889","Synchrotron","","0.0719","0.055","","0.1485","0.1245","0.1485","","","","","","0.9771","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118284","5.5348","0.0001","15.9379","0.0003","26.45","0.0006","90","","90","","90","","2333.24","0.08","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 F5 N2 O5 -","- C21 H27 F5 N2 O5 -","- C84 H108 F20 N8 O20 -","4","1","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.71073","MoKα","","0.0827","0.073","","","0.2019","0.2151","","","","","","1.025","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118285","17.1127","0.0006","9.514","0.0004","10.5373","0.0004","90","","101.631","0.002","90","","1680.35","0.11","240","2","240","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H18 F5 N2 O2.5 -","- C15 H18 F5 N2 O2.5 -","- C60 H72 F20 N8 O10 -","4","1","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.71073","MoKα","","0.0484","0.0429","","","0.11","0.1162","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118286","15.8014","0.0006","10.5452","0.0003","9.517","0.0003","90","","102.319","0.004","90","","1549.29","0.09","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F2 N O -","- C8 H7 F2 N O -","- C64 H56 F16 N8 O8 -","8","2","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","1.5418","CuKα","","0.0474","0.0403","","0.1057","0.0997","0.1057","","","","","","0.9835","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118287","14.856","0.0008","14.856","0.0008","14.856","0.0008","90","","90","","90","","3278.7","0.3","150","2","150","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","lanthanum iron borocarbide","","","- C34 Al0.34 B24.8 Fe13.86 La33 -","- C34 Al0.344 B24.8 Fe13.856 La33 -","- C68 Al0.688 B49.6 Fe27.712 La66 -","2","0.0208333","","Patricia C. Tucker; Jason Nyffeler; Banghao Chen; Andrew Ozarowski; Ryan Stillwell; Susan E. Latturner","A Tale of Two Metals: New Cerium Iron Borocarbide Intermetallics Grown from Rare-Earth/Transition Metal Eutectic Fluxes","Journal of the American Chemical Society","2012","134","","12138","12148","10.1021/ja303370j","","","0.71073","MoKα","","0.0287","0.0184","","","0.0326","0.0349","","","","","","1.154","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118288","14.6173","0.0011","14.6173","0.0011","14.6173","0.0011","90","","90","","90","","3123.2","0.4","150","2","150","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","Cerium iron borocarbide","","","- C34 Al B25 Ce33 Fe13 -","- C34 Al1.092 B24.79 Ce33 Fe13.118 -","- C68 Al2.184 B49.58 Ce66 Fe26.236 -","2","0.0208333","","Patricia C. Tucker; Jason Nyffeler; Banghao Chen; Andrew Ozarowski; Ryan Stillwell; Susan E. Latturner","A Tale of Two Metals: New Cerium Iron Borocarbide Intermetallics Grown from Rare-Earth/Transition Metal Eutectic Fluxes","Journal of the American Chemical Society","2012","134","","12138","12148","10.1021/ja303370j","","","0.71073","MoKα","","0.0186","0.0155","","","0.035","0.0354","","","","","","1.24","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118289","14.6148","0.0011","14.6148","0.0011","14.6148","0.0011","90","","90","","90","","3121.6","0.4","150","2","150","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","cerium manganese borocarbide","","","- C34 Al0.08 B24.92 Ce33 Mn14 -","- C34 Al0.08 B24.92 Ce33 Mn14 -","- C68 Al0.16 B49.84 Ce66 Mn28 -","2","0.0208333","","Patricia C. Tucker; Jason Nyffeler; Banghao Chen; Andrew Ozarowski; Ryan Stillwell; Susan E. Latturner","A Tale of Two Metals: New Cerium Iron Borocarbide Intermetallics Grown from Rare-Earth/Transition Metal Eutectic Fluxes","Journal of the American Chemical Society","2012","134","","12138","12148","10.1021/ja303370j","","","0.71073","MoKα","","0.0177","0.0155","","","0.0345","0.0349","","","","","","1.247","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118290","14.246","0.008","14.246","0.008","14.246","0.008","90","","90","","90","","2891","3","150","2","150","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","cerium iron borocarbide","","","- C34 B18 Ce33 Fe13 -","- C34 B18 Ce33 Fe13 -","- C68 B36 Ce66 Fe26 -","2","0.0208333","","Patricia C. Tucker; Jason Nyffeler; Banghao Chen; Andrew Ozarowski; Ryan Stillwell; Susan E. Latturner","A Tale of Two Metals: New Cerium Iron Borocarbide Intermetallics Grown from Rare-Earth/Transition Metal Eutectic Fluxes","Journal of the American Chemical Society","2012","134","","12138","12148","10.1021/ja303370j","","","0.71073","MoKα","","0.0143","0.0142","","","0.0285","0.0285","","","","","","1.36","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118291","14.3881","0.0009","14.3881","0.0009","14.3881","0.0009","90","","90","","90","","2978.6","0.3","150","2","150","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","praseodymium iron borocarbide","","","- C34 Al0.04 B18 Fe12.96 Pr33 -","- C34 Al0.04 B18 Fe12.96 Pr33 -","- C68 Al0.08 B36 Fe25.92 Pr66 -","2","0.0208333","","Patricia C. Tucker; Jason Nyffeler; Banghao Chen; Andrew Ozarowski; Ryan Stillwell; Susan E. Latturner","A Tale of Two Metals: New Cerium Iron Borocarbide Intermetallics Grown from Rare-Earth/Transition Metal Eutectic Fluxes","Journal of the American Chemical Society","2012","134","","12138","12148","10.1021/ja303370j","","","0.71073","MoKα","","0.0137","0.0127","","","0.0271","0.0273","","","","","","1.233","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118292","7.6145","0.0006","7.9079","0.0007","9.6513","0.0008","99.938","0.002","98.057","0.001","106.992","0.002","536.12","0.08","100","0.1","100","0.1","","","","","","","","3","P 1","P 1","1","ubsc11","","","- C13 H16 O2 -","- C13 H16 O2 -","- C26 H32 O4 -","2","2","","Yan Miller; Lei Miao; Azade S. Hosseini; Sherry R. Chemler","Copper-Catalyzed Intramolecular Alkene Carboetherification: Synthesis of Fused-Ring and Bridged-Ring Tetrahydrofurans","Journal of the American Chemical Society","2012","134","","12149","12156","10.1021/ja3034075","","","0.71073","MoKα","","0.1071","0.0539","","","0.1298","0.1569","","","","","","0.972","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118293","19.425","0.003","10.67","0.0015","25.538","0.004","90","","110.452","0.003","90","","4959.5","1.3","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ubsc12","","","- C31 H26 Cl2 O -","- C31 H26 Cl2 O -","- C248 H208 Cl16 O8 -","8","2","","Yan Miller; Lei Miao; Azade S. Hosseini; Sherry R. Chemler","Copper-Catalyzed Intramolecular Alkene Carboetherification: Synthesis of Fused-Ring and Bridged-Ring Tetrahydrofurans","Journal of the American Chemical Society","2012","134","","12149","12156","10.1021/ja3034075","","","0.71073","MoKα","","0.0941","0.0491","","","0.1002","0.1187","","","","","","1.013","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118294","6.979","0.003","9.779","0.005","21.672","0.005","90","","90","","90","","1479.1","1","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H19 Cl2 N5 O3.003 Ru S1.001 -","- C20 H76 Cl8 N20 O12.012 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0941","0.0538","","","","0.132","","","","","","0.836","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118295","9.798","0.008","7.009","0.006","21.613","0.018","90","","90","","90","","1484","2","120","2","120","2","","","","","","","","7","P c m n","-P 2n 2ac","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1269","0.0678","","","","0.1557","","","","","","0.742","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118296","9.803","0.009","7.029","0.006","21.595","0.019","90","","90","","90","","1488","2","120","2","120","2","","","","","","","","7","P c m n","-P 2n 2ac","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.999 Ru S -","- C20 H68 Cl8 N20 O11.996 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1375","0.0739","","","","0.188","","","","","","0.786","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118297","7.032","0.007","9.795","0.009","21.58","0.02","90","","90","","90","","1486","2","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1401","0.0816","","","","0.2344","","","","","","0.875","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118298","9.816","0.009","7.052","0.007","21.62","0.019","90","","90","","90","","1497","2","120","2","120","2","","","","","","","","7","P c m n","-P 2n 2ac","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.999 Ru S -","- C20 H68 Cl8 N20 O11.996 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1566","0.135","","","","0.4371","","","","","","1.417","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118299","7.073","0.015","9.7","0.02","21.51","0.05","90","","90","","90","","1476","6","140","2","140","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.999 Ru S0.999 -","- C20 H68 Cl8 N20 O11.996 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1892","0.0983","","","","0.3094","","","","","","0.778","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118300","7.077","0.013","9.61","0.02","21.44","0.04","90","","90","","90","","1458","5","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.998 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.992 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.2414","0.207","","","","0.5851","","","","","","1.764","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118301","6.938","0.0009","9.6437","0.0013","21.505","0.003","90","","90","","90","","1438.9","0.3","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H19 Cl2 N5 O3 Ru S -","- C20 H76 Cl8 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0288","0.0278","","","","0.0615","","","","","","1.167","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118302","6.8533","0.0018","9.761","0.003","23.472","0.006","90","","90","","90","","1570.2","0.8","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H18 Cl3 N5 O3 Ru S -","- C20 H72 Cl12 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0513","0.0481","","","","0.1005","","","","","","1.134","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118303","7.13","0.002","10.625","0.003","9.959","0.003","90","","91.675","0.003","90","","754.1","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H18 Cl3 N5 O3 Ru S -","- C10 H36 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.047","0.0461","","","","0.118","","","","","","1.061","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118304","6.885","0.002","9.756","0.003","23.372","0.008","90","","90","","90","","1569.9","0.9","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C20 H64 Cl12 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0567","0.0505","","","","0.1139","","","","","","1.159","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118305","7.159","0.004","10.674","0.006","9.962","0.006","90","","91.604","0.009","90","","760.9","0.8","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0509","0.0488","","","","0.1068","","","","","","1.078","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118306","6.977","0.004","9.745","0.005","21.588","0.011","90","","90","","90","","1467.8","1.4","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0841","0.0811","","","","0.1543","","","","","","1.148","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118307","6.992","0.004","9.735","0.005","21.55","0.011","90","","90","","90","","1466.8","1.4","120","2","120","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.965 Ru S0.982 -","- C20 H68 Cl8 N20 O11.86 Ru4 S3.928 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0821","0.067","","","","0.1392","","","","","","1.11","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118308","7","0.003","9.741","0.004","21.53","0.004","90","","90","","90","","1468.1","0.9","120","2","120","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0815","0.0657","","","","0.1387","","","","","","1.073","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118309","7.003","0.003","9.734","0.004","21.493","0.008","90","","90","","90","","1465.1","1","120","2","120","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0819","0.0681","","","","0.1535","","","","","","1.076","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118310","7.024","0.003","9.74","0.004","21.473","0.01","90","","90","","90","","1469","1.1","130","2","130","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.997 Ru S0.998 -","- C20 H68 Cl8 N20 O11.988 Ru4 S3.992 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0819","0.0616","","","","0.1633","","","","","","1.112","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118311","7.027","0.003","9.736","0.004","21.428","0.009","90","","90","","90","","1466","1.1","130","2","130","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0839","0.0622","","","","0.1623","","","","","","1.118","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118312","7.034","0.003","9.73","0.004","21.396","0.009","90","","90","","90","","1464.4","1.1","130","2","130","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.085","0.0643","","","","0.1742","","","","","","1.086","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118313","7.037","0.003","9.724","0.004","21.354","0.01","90","","90","","90","","1461.2","1.1","130","2","130","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3.001 Ru S1.001 -","- C20 H68 Cl8 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0831","0.0612","","","","0.1721","","","","","","1.121","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118314","7.059","0.004","9.727","0.005","21.3","0.011","90","","90","","90","","1462.5","1.3","140","2","140","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.997 Ru S0.998 -","- C20 H68 Cl8 N20 O11.988 Ru4 S3.992 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0854","0.061","","","","0.1821","","","","","","1.064","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118315","7.072","0.004","9.727","0.005","21.256","0.012","90","","90","","90","","1462.2","1.4","140","2","140","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0846","0.0573","","","","0.1563","","","","","","0.986","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118316","7.102","0.005","9.761","0.006","21.306","0.014","90","","90","","90","","1477","1.7","140","2","140","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0855","0.0566","","","","0.1542","","","","","","0.966","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118317","7.088","0.005","9.743","0.006","21.231","0.014","90","","90","","90","","1466.2","1.7","140","2","140","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3 Ru S -","- C20 H68 Cl8 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0969","0.0623","","","","0.1743","","","","","","0.873","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118318","7.047","0.011","9.768","0.016","21.49","0.03","90","","90","","90","","1479","4","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3 Ru S -","- C20 H68 Cl8 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1512","0.1272","","","","0.4126","","","","","","1.512","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118319","7.06","0.004","9.707","0.006","21.359","0.013","90","","90","","90","","1463.8","1.5","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3.001 Ru S1.001 -","- C20 H68 Cl8 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.07","0.0426","","","","0.0979","","","","","","0.766","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118320","7.054","0.005","9.711","0.006","21.428","0.014","90","","90","","90","","1467.8","1.7","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3.001 Ru S1.001 -","- C20 H68 Cl8 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0837","0.0526","","","","0.1487","","","","","","0.914","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118321","7.032","0.004","9.695","0.006","21.42","0.013","90","","90","","90","","1460.3","1.5","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3 Ru S -","- C20 H68 Cl8 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0702","0.0508","","","","0.124","","","","","","0.942","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118322","7.034","0.005","9.7","0.006","21.467","0.014","90","","90","","90","","1464.7","1.7","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3 Ru S -","- C20 H68 Cl8 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0751","0.0532","","","","0.1356","","","","","","0.919","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118323","6.909","0.005","9.769","0.006","23.346","0.016","90","","90","","90","","1575.7","1.8","150","2","150","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C20 H64 Cl12 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0692","0.0513","","","","0.1165","","","","","","0.968","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118324","6.952","0.002","9.772","0.003","23.295","0.007","90","","90","","90","","1582.5","0.8","200","2","200","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3.001 Ru S1.001 -","- C20 H64 Cl12 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0662","0.0525","","","","0.1267","","","","","","1.083","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118325","6.915","0.002","9.773","0.003","23.306","0.007","90","","90","","90","","1575","0.8","200","2","200","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3.001 Ru S1.001 -","- C20 H64 Cl12 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0667","0.0505","","","","0.1215","","","","","","1.041","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118326","6.9441","0.0019","9.774","0.003","23.314","0.006","90","","90","","90","","1582.4","0.8","200","2","200","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3.001 Ru S1.001 -","- C20 H64 Cl12 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.066","0.0508","","","","0.1256","","","","","","1.068","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118327","7.1389","0.0017","10.738","0.003","9.936","0.002","90","","90.921","0.003","90","","761.6","0.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0472","0.0374","","","","0.0744","","","","","","0.895","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118328","7.146","0.002","10.78","0.004","9.935","0.003","90","","90.978","0.004","90","","765.2","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0473","0.0345","","","","0.0728","","","","","","0.827","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118329","7.147","0.002","10.756","0.003","9.944","0.003","90","","91.089","0.004","90","","764.3","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0457","0.0364","","","","0.0752","","","","","","0.895","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118330","7.15","0.002","10.74","0.003","9.951","0.003","90","","91.177","0.004","90","","764","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0444","0.039","","","","0.0837","","","","","","1.01","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118331","7.151","0.002","10.73","0.003","9.954","0.003","90","","91.143","0.004","90","","763.6","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0465","0.0351","","","","0.1159","","","","","","0.869","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118332","7.152","0.002","10.712","0.003","9.959","0.003","90","","91.2","0.004","90","","762.8","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0422","0.0382","","","","0.0845","","","","","","1.044","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118333","7.155","0.002","10.711","0.003","9.96","0.003","90","","91.25","0.004","90","","763.1","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0429","0.0359","","","","0.0733","","","","","","0.814","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118334","7.154","0.002","10.698","0.003","9.966","0.003","90","","90","","90","","762.7","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0421","0.0363","","","","0.0747","","","","","","0.932","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118335","7.157","0.002","10.694","0.003","9.972","0.003","90","","91.327","0.005","90","","763","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0422","0.0384","","","","0.0794","","","","","","0.983","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118336","14.612","0.005","11.033","0.005","33.094","0.005","90","0.005","99.129","0.005","90","0.005","5268","3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H14 La2 O2 S4 -","- C94 H14 La2 O2 S4 -","- C376 H56 La8 O8 S16 -","4","1","","Lai Feng; Marc Rudolf; Silke Wolfrum; Anna Troeger; Zdenek Slanina; Takeshi Akasaka; Shigeru Nagase; Nazario Martín; Tayebeh Ameri; Christoph J. Brabec; Dirk M. Guldi","A Paradigmatic Change: Linking Fullerenes to Electron Acceptors","Journal of the American Chemical Society","2012","134","","12190","12197","10.1021/ja3039695","","","0.71069","MoKα","","0.0936","0.0791","","","0.2188","0.2335","","","","","","1.08","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118337","8.076","0.0003","27.4543","0.001","9.4471","0.0003","90","","90.665","0.004","90","","2094.48","0.13","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 N2 O2 -","- C23 H32 N2 O2 -","- C92 H128 N8 O8 -","4","1","","Shuaijun Yang; Jingsong You; Jingbo Lan; Ge Gao","Facile Access to Extremely Efficient Energy-Transfer Pairs via an Unexpected Reaction of Squaraines with Ketones","Journal of the American Chemical Society","2012","134","","11868","11871","10.1021/ja304082h","","","0.7107","MoKα","","0.0891","0.0667","","","0.1762","0.1991","","","","","","1.037","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118338","8.1234","0.0004","11.0246","0.0006","11.9645","0.0007","113.415","0.005","100.663","0.004","98.461","0.004","936.92","0.1","145","","145","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C42 H56 N4 O4 -","2","1","","Shuaijun Yang; Jingsong You; Jingbo Lan; Ge Gao","Facile Access to Extremely Efficient Energy-Transfer Pairs via an Unexpected Reaction of Squaraines with Ketones","Journal of the American Chemical Society","2012","134","","11868","11871","10.1021/ja304082h","","","0.7107","MoKα","","0.0676","0.0455","","","0.1055","0.1186","","","","","","1.035","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118339","8.111","0.0003","27.4246","0.0009","9.4351","0.0004","90","","90.6","0.004","90","","2098.64","0.14","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 N2 O2 -","- C23 H32 N2 O2 -","- C92 H128 N8 O8 -","4","1","","Shuaijun Yang; Jingsong You; Jingbo Lan; Ge Gao","Facile Access to Extremely Efficient Energy-Transfer Pairs via an Unexpected Reaction of Squaraines with Ketones","Journal of the American Chemical Society","2012","134","","11868","11871","10.1021/ja304082h","","","0.7107","MoKα","","0.1224","0.0782","","","0.209","0.2416","","","","","","1.05","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118340","26.6846","0.0004","8.3813","0.0001","6.9691","0.0001","90","","90.241","0.001","90","","1558.64","0.04","100","2","100","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C64 H84 N12 O12 -","4","1","","Maitane Fernández; Uxue Uria; Jose L. Vicario; Efraím Reyes; Luisa Carrillo","Enantioselective Conjugate Addition of Donor-Acceptor Hydrazones to α,β-Unsaturated Aldehydes through Formal Diaza-Ene Reaction: Access to 1,4-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","11872","11875","10.1021/ja3041042","","x-ray","1.54184","CuKα","","0.0389","0.037","","","0.1019","0.1034","","","","","","1.057","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118341","12.419","0.002","13.116","0.002","15.871","0.003","66.443","0.004","88.215","0.004","71.224","0.005","2229.4","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H72 F14 N6 O10 S2 Si2 -","- C26 H68 F8 N6 O8 S2 Si -","- C52 H136 F16 N12 O16 S4 Si2 -","2","1","","Md. Alamgir Hossain; Musabbir A. Saeed; Avijit Pramanik; Bryan M. Wong; Syed A. Haque; Douglas R. Powell","A Self-Assembled Fluoride-Water Cyclic Cluster of [F(H2O)]44- in a Molecular Box","Journal of the American Chemical Society","2012","134","","11892","11895","10.1021/ja3043855","","","0.71073","MoKα","","0.0926","0.0669","","","0.17","0.1837","","","","","","1.002","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4118342","16.039","0.002","16.038","0.002","9.9156","0.0013","90","","90","","90","","2550.6","0.6","193","2","193","2","","","","","","","chemical synthesis","5","P m m n :2","-P 2ab 2a","59","DCP1","(Acetato)(10-benzo[h]quinolinato)palladium(II) dimer","","- C30 H22 N2 O4 Pd2 -","- C30 H22 N2 O4 Pd2 -","- C120 H88 N8 O16 Pd8 -","4","0.5","","David C. Powers; Eunsung Lee; Alireza Ariafard; Melanie S. Sanford; Brian F. Yates; Allan J. Canty; Tobias Ritter","Connecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd-Pd Bond Cleavage","Journal of the American Chemical Society","2012","134","","12002","12009","10.1021/ja304401u","","","0.71073","MoKα","","0.0297","0.0282","","","0.0701","0.0713","","","","","","1.12","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118343","17.1241","0.0006","20.2806","0.0007","23.2979","0.0009","89.559","0.002","89.23","0.002","88.773","0.002","8088.3","0.5","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C184 H140 Cl8 N12 O24 Pd12 -","- C184 H140 Cl8 N12 O24 Pd12 -","- C368 H280 Cl16 N24 O48 Pd24 -","2","1","","David C. Powers; Eunsung Lee; Alireza Ariafard; Melanie S. Sanford; Brian F. Yates; Allan J. Canty; Tobias Ritter","Connecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd-Pd Bond Cleavage","Journal of the American Chemical Society","2012","134","","12002","12009","10.1021/ja304401u","","","0.71073","MoKα","","0.0728","0.0475","","","0.0956","0.1069","","","","","","1.039","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118344","10.0855","0.0011","14.4631","0.0015","14.9794","0.0016","81.313","0.002","73.034","0.001","70.432","0.002","1965.8","0.4","100","2","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C37 H34 Cl2 F6 N2 O10 Pd2 -","- C37 H34 Cl2 F6 N2 O10 Pd2 -","- C74 H68 Cl4 F12 N4 O20 Pd4 -","2","1","","David C. Powers; Eunsung Lee; Alireza Ariafard; Melanie S. Sanford; Brian F. Yates; Allan J. Canty; Tobias Ritter","Connecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd-Pd Bond Cleavage","Journal of the American Chemical Society","2012","134","","12002","12009","10.1021/ja304401u","","","0.71073","MoKα","","0.0586","0.0449","","","0.1196","0.1264","","","","","","1.08","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118345","9.4347","0.0008","12.5162","0.0011","16.0412","0.0014","75.497","0.001","78.327","0.001","71.822","0.001","1726.4","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C37 H24 Cl2 N6 O4 Pd2 -","- C37 H24 Cl2 N6 O4 Pd2 -","- C74 H48 Cl4 N12 O8 Pd4 -","2","1","","David C. Powers; Eunsung Lee; Alireza Ariafard; Melanie S. Sanford; Brian F. Yates; Allan J. Canty; Tobias Ritter","Connecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd-Pd Bond Cleavage","Journal of the American Chemical Society","2012","134","","12002","12009","10.1021/ja304401u","","","0.71073","MoKα","","0.0513","0.0368","","","0.07","0.0745","","","","","","1.064","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118346","8.2349","0.0007","13.3008","0.0012","18.9296","0.0017","90","","102.237","0.001","90","","2026.3","0.3","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 F6 N2 Pd -","- C20 H24 F6 N2 Pd -","- C80 H96 F24 N8 Pd4 -","4","1","","David C. Powers; Eunsung Lee; Alireza Ariafard; Melanie S. Sanford; Brian F. Yates; Allan J. Canty; Tobias Ritter","Connecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd-Pd Bond Cleavage","Journal of the American Chemical Society","2012","134","","12002","12009","10.1021/ja304401u","","","0.71073","MoKα","","0.0178","0.0162","","","0.0393","0.0401","","","","","","1.066","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118347","5.8806","0.0003","12.6232","0.0006","20.6562","0.0009","90","","90","","90","","1533.35","0.13","173.2","","173.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C72 H60 Br4 O8 -","4","1","","John F. Briones; Huw M. L. Davies","Gold(I)-Catalyzed Asymmetric Cyclopropenation of Internal Alkynes","Journal of the American Chemical Society","2012","134","","11916","11919","10.1021/ja304506g","","","1.54184","CuKα","","0.0255","0.0254","","","0.0683","0.0684","","","","","","1.108","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118348","17.9833","0.0017","5.7116","0.0006","40.992","0.004","90","","90","","90","","4210.4","0.7","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H21 F3 O2 -","- C26 H21 F3 O2 -","- C208 H168 F24 O16 -","8","2","","John F. Briones; Huw M. L. Davies","Gold(I)-Catalyzed Asymmetric Cyclopropenation of Internal Alkynes","Journal of the American Chemical Society","2012","134","","11916","11919","10.1021/ja304506g","","","1.54178","CuKα","","0.1403","0.1049","","","0.293","0.3283","","","","","","1.062","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118349","10.7312","0.0006","6.0144","0.0004","11.0902","0.0007","90","","103.15","0.002","90","","697.01","0.08","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","1","","John F. Briones; Huw M. L. Davies","Gold(I)-Catalyzed Asymmetric Cyclopropenation of Internal Alkynes","Journal of the American Chemical Society","2012","134","","11916","11919","10.1021/ja304506g","","","1.54178","CuKα","","0.0301","0.0299","","","0.0819","0.0821","","","","","","1.046","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118350","9.347","0.002","38.247","0.008","11.0355","0.0019","90","","115.056","0.006","90","","3573.9","1.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tep2ptcl2","","","- C37 H30 Cl4 P2 Pt Te -","- C37 H30 Cl4 P2 Pt Te -","- C148 H120 Cl16 P8 Pt4 Te4 -","4","1","","Tzu-Pin Lin; François P. Gabbaï","Two-Electron Redox Chemistry at the Dinuclear Core of a TePt Platform: Chlorine Photoreductive Elimination and Isolation of a TeVPtI Complex","Journal of the American Chemical Society","2012","134","","12230","12238","10.1021/ja3046074","","","0.71073","MoKα","","0.0302","0.0271","","","0.0549","0.0562","","","","","","1.002","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118351","10.9177","0.0015","10.1787","0.0014","34.619","0.005","90","","94.273","0.002","90","","3836.4","0.9","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","tep2ptcl4","","","- C40 H36 Cl4 O P2 Pt Te -","- C40 H36 Cl4 O P2 Pt Te -","- C160 H144 Cl16 O4 P8 Pt4 Te4 -","4","1","","Tzu-Pin Lin; François P. Gabbaï","Two-Electron Redox Chemistry at the Dinuclear Core of a TePt Platform: Chlorine Photoreductive Elimination and Isolation of a TeVPtI Complex","Journal of the American Chemical Society","2012","134","","12230","12238","10.1021/ja3046074","","","0.71073","MoKα","","0.0544","0.0505","","","0.1378","0.1416","","","","","","1.004","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118352","16.821","0.004","15.309","0.004","16.315","0.004","90","","90","","90","","4201.3","1.8","110","2","110","2","","","","","","","","7","P n m a","-P 2ac 2n","62","TeP2PtI","","","- C37 H30 Cl2 I4 P2 Pt Te -","- C37 H30 Cl2 I4 P2 Pt Te -","- C148 H120 Cl8 I16 P8 Pt4 Te4 -","4","0.5","","Tzu-Pin Lin; François P. Gabbaï","Two-Electron Redox Chemistry at the Dinuclear Core of a TePt Platform: Chlorine Photoreductive Elimination and Isolation of a TeVPtI Complex","Journal of the American Chemical Society","2012","134","","12230","12238","10.1021/ja3046074","","","0.71073","MoKα","","0.0623","0.0508","","","0.1088","0.115","","","","","","1.03","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118353","11.515","0.004","11.663","0.004","14.145","0.004","79.654","0.003","69.66","0.003","71.754","0.003","1686.3","1","110","2","110","2","","","","","","","","8","P -1","-P 1","2","tep2ptf","","","- C38 H34 Cl F O2 P2 Pt Te -","- C38 H34 Cl F O2 P2 Pt Te -","- C76 H68 Cl2 F2 O4 P4 Pt2 Te2 -","2","1","","Tzu-Pin Lin; François P. Gabbaï","Two-Electron Redox Chemistry at the Dinuclear Core of a TePt Platform: Chlorine Photoreductive Elimination and Isolation of a TeVPtI Complex","Journal of the American Chemical Society","2012","134","","12230","12238","10.1021/ja3046074","","","0.71073","MoKα","","0.0242","0.0222","","","0.0533","0.0545","","","","","","1.008","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118354","8.3294","0.0004","14.3335","0.0007","15.5664","0.0008","102.861","0.001","98.72","0.001","101.181","0.001","1740.2","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 K N4 O19 S -","- C28 H33 K N4 O19 S -","- C56 H66 K2 N8 O38 S2 -","2","1","","Liana Wong; Chunhua Hu; Ruthanne Paradise; Zina Zhu; Alexander Shtukenberg; Bart Kahr","Relationship between Tribology and Optics in Thin Films of Mechanically Oriented Nanocrystals","Journal of the American Chemical Society","2012","134","","12245","12251","10.1021/ja304799a","","","0.71073","MoKα","","0.0859","0.0591","","","0.1554","0.1748","","","","","","1.028","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118355","22.808","0.007","27.255","0.008","4.9139","0.0014","90","","90","","90","","3054.6","1.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C160 H144 N16 O16 -","8","2","","Liana Wong; Chunhua Hu; Ruthanne Paradise; Zina Zhu; Alexander Shtukenberg; Bart Kahr","Relationship between Tribology and Optics in Thin Films of Mechanically Oriented Nanocrystals","Journal of the American Chemical Society","2012","134","","12245","12251","10.1021/ja304799a","","","0.71073","MoKα","","0.0924","0.0558","","","0.117","0.1325","","","","","","1.051","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118356","17.2639","0.0003","16.1292","0.0003","20.9014","0.0004","90","","93.522","0.009","90","","5809.06","0.19","150","1","150","1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C67 H62 B Br Fe N2 O P2 -","- C67 H62 B Br Fe N2 O P2 -","- C268 H248 B4 Br4 Fe4 N8 O4 P8 -","4","2","","Alexandre A. Mikhailine; Mazharul I. Maishan; Alan J. Lough; Robert H. Morris","The Mechanism of Efficient Asymmetric Transfer Hydrogenation of Acetophenone Using an Iron(II) Complex Containing an (S,S)-Ph2PCH2CH=NCHPhCHPhN=CHCH2PPh2 Ligand: Partial Ligand Reduction Is the Key","Journal of the American Chemical Society","2012","134","","12266","12280","10.1021/ja304814s","","","0.71073","MoKα","","0.1272","0.0709","","","0.1626","0.1802","","","","","","1.053","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118357","5.9404","0.0007","9.5623","0.0011","23.993","0.003","91.29","0.004","94.616","0.007","99.627","0.007","1338.4","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 O P2 -","- C33 H30 O P2 -","- C66 H60 O2 P4 -","2","1","","Masahiro Kamitani; Masumi Itazaki; Chihiro Tamiya; Hiroshi Nakazawa","Regioselective Double Hydrophosphination of Terminal Arylacetylenes Catalyzed by an Iron Complex","Journal of the American Chemical Society","2012","134","","11932","11935","10.1021/ja304818c","","","0.7107","MoKα","","0.0675","0.0563","","","0.0966","0.1006","","","","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118358","10.2581","0.0006","11.9822","0.0007","22.0451","0.0014","90","","90","","90","","2709.7","0.3","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H30 P2 -","- C33 H30 P2 -","- C132 H120 P8 -","4","1","","Masahiro Kamitani; Masumi Itazaki; Chihiro Tamiya; Hiroshi Nakazawa","Regioselective Double Hydrophosphination of Terminal Arylacetylenes Catalyzed by an Iron Complex","Journal of the American Chemical Society","2012","134","","11932","11935","10.1021/ja304818c","","","0.7107","MoKα","","0.053","0.0463","","","0.0854","0.0878","","","","","","1.118","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118359","8.6025","0.0003","11.4786","0.0004","16.0146","0.0011","100.217","0.007","93.384","0.007","108.598","0.008","1463.64","0.15","195","2","195","2","","","","","","","","4","P 1","P 1","1","","(1R)-2,3,5-Tri-O-benzyl-4-O-formyl-D-arabinose 1-(dimethyl phosphonate)","","- C29 H35 O9 P -","- C29 H35 O9 P -","- C58 H70 O18 P2 -","2","2","","Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich","Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics","Journal of the American Chemical Society","2012","134","","12289","12301","10.1021/ja305104b","","","1.54187","CuKα","","0.0379","0.0328","","","0.0764","0.094","","","","","","1.142","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118360","5.2851","0.0001","11.5055","0.0003","42.054","0.003","90","","90","","90","","2557.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","((2S,3S,4S,5S,6R)-3-acetoxy-4,5-bis(benzyloxy)-2-methoxy-2-oxido-1,2- oxaphosphinan-6-yl)methyl acetate","","- C24 H29 O9 P -","- C24 H29 O9 P -","- C96 H116 O36 P4 -","4","1","","Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich","Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics","Journal of the American Chemical Society","2012","134","","12289","12301","10.1021/ja305104b","","","1.54187","CuKα","","0.0836","0.0518","","","0.1029","0.1289","","","","","","1.152","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118361","10.583","0.007","10.583","0.007","39.571","0.006","90","","90","","120","","3838","4","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","((2R,3R,4S,5S,6R)-3-acetoxy-4,5-bis(benzyloxy)-2-methoxy-2-oxido- 1,2-oxaphosphinan-6yl)methyl acetate","","- C24 H29 O9 P -","- C24 H29 O9 P -","- C144 H174 O54 P6 -","6","1","","Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich","Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics","Journal of the American Chemical Society","2012","134","","12289","12301","10.1021/ja305104b","","","1.54187","CuKα","","0.101","0.0838","","","0.2151","0.2348","","","","","","1.085","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118362","5.6687","0.0007","15.6022","0.0017","14.1563","0.0017","90","","90.501","0.006","90","","1252","0.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2S,3S,4S,5S,6R)-4,5-bis(benzyloxy)-6-((benzyloxy)methyl)-3-hydroxy-2- methoxy-1,2-oxaphosphinane 2-oxide","","- C27 H31 O7 P -","- C27 H31 O7 P -","- C54 H62 O14 P2 -","2","1","","Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich","Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics","Journal of the American Chemical Society","2012","134","","12289","12301","10.1021/ja305104b","","","1.54187","CuKα","","0.2088","0.1282","","","0.3031","0.37","","","","","","1.159","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118363","9.1046","0.0005","12.9502","0.0006","30.533","0.002","90","","90","","90","","3600","0.4","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Triethylammonium (2R,3S,4S,5S,6R)-2-borane-3-acetoxy-4,5-bis(benzyloxy)-6- ((benzyloxy)methyl)-1,2-oxaphosphinan-2-olate","","- C34 H49 B N O7 P -","- C34 H49 B N O7 P -","- C136 H196 B4 N4 O28 P4 -","4","1","","Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich","Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics","Journal of the American Chemical Society","2012","134","","12289","12301","10.1021/ja305104b","","","1.54187","CuKα","","0.0841","0.0591","","","0.1314","0.152","","","","","","1.09","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118364","49.576","0.005","49.576","0.005","9.938","0.002","90","","90","","120","","21153","5","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C298 H0 Co14 In18 N14 O224 -","- C270 Co14 In18 O224 -","- C270 Co14 In18 O224 -","1","0.166667","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.1685","0.1244","","","0.3342","0.3596","","","","","","1.069","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118365","49.59","0.0003","49.59","0.0003","9.9168","0.0011","90","","90","","120","","21120","2","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C298 H284 In18 N14 Ni14 O224 -","- C270 In18 Ni14 O224 -","- C270 In18 Ni14 O224 -","1","0.166667","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.2947","0.1427","","","0.3323","0.3656","","","","","","1.028","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118366","49.4418","0.0006","49.4418","0.0006","10.0065","0.0003","90","","90","","120","","21183.7","0.7","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C298 H284 In18 Mn14 N14 O224 -","- C270 In18 Mn14 O224 -","- C270 In18 Mn14 O224 -","1","0.166667","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.1609","0.134","","","0.3697","0.3827","","","","","","1.357","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118367","30.7158","0.0005","30.7158","0.0005","30.7158","0.0005","90","","90","","90","","28979.1","0.8","296","2","296","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C252 Co8 In6 N48 O96 -","- C252 Co8 In6 N48 O96 -","- C1008 Co32 In24 N192 O384 -","4","0.0416667","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.1259","0.0901","","","0.2327","0.271","","","","","","1.102","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118368","30.7159","0.0006","30.7159","0.0006","30.7159","0.0006","90","","90","","90","","28979.4","1","296","2","296","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C252 H0 In6 N48 O96 Zn8 -","- C252 In6 N48 O96 Zn8 -","- C1008 In24 N192 O384 Zn32 -","4","0.0416667","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.119","0.0925","","","0.2456","0.2752","","","","","","1.189","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118369","22.788","0.0016","22.788","0.0016","17.154","0.003","90","","90","","90","","8908","1.8","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C72 H24 Co In5 N0 O48 -","- C72 H24 Co In5 O48 -","- C144 H48 Co2 In10 O96 -","2","0.25","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.0886","0.0661","","","0.1566","0.169","","","","","","0.934","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118370","22.7219","0.0003","22.7219","0.0003","17.3033","0.0006","90","","90","","90","","8933.4","0.4","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C72 H24 In5 N0 O48 Zn -","- C72 H24 In5 O48 Zn -","- C144 H48 In10 O96 Zn2 -","2","0.25","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.0558","0.0502","","","0.1255","0.129","","","","","","1","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118371","7.3041","0.0006","7.3041","0.0006","8.164","0.0015","90","","90","","120","","377.2","0.08","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0259","0.025","","","0.0507","0.0511","","","","","","1.151","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118372","7.2829","0.0009","7.2829","0.0009","8.1691","0.0009","90","","90","","120","","375.24","0.08","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0269","0.0257","","","0.0506","0.0511","","","","","","1.132","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118373","7.272","0.0008","7.272","0.0008","8.1678","0.0009","90","","90","","120","","374.06","0.07","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0286","0.0263","","","0.0563","0.0566","","","","","","1.146","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118374","7.2649","0.0009","7.2649","0.0009","8.1683","0.0009","90","","90","","120","","373.35","0.08","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0314","0.0228","","","0.0494","0.0514","","","","","","1.113","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118375","7.2411","0.0008","7.2411","0.0008","8.1789","0.0008","90","","90","","120","","371.39","0.07","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0288","0.0213","","","0.0491","0.054","","","","","","1.237","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118376","7.2282","0.0004","7.2282","0.0004","8.1778","0.0004","90","","90","","120","","370.02","0.03","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0526","0.0314","","","0.059","0.07","","","","","","1.205","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118377","7.2138","0.0004","7.2138","0.0004","8.1805","0.0004","90","","90","","120","","368.67","0.03","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0248","0.0235","","","0.0527","0.0535","","","","","","1.156","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118378","7.1937","0.0004","7.1937","0.0004","8.1788","0.0004","90","","90","","120","","366.54","0.03","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0291","0.0273","","","0.0623","0.0631","","","","","","1.08","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118379","16.3363","0.0006","14.3221","0.0005","18.8718","0.0006","90","","90","","90","","4415.4","0.3","90","2","90","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C38 H26 Cs2 F14 N2 O8 Pd2 -","- C35 H20 Cs2 F14 N2 O7 Pd2 -","- C140 H80 Cs8 F56 N8 O28 Pd8 -","4","0.5","","Xing-Guo Zhang; Hui-Xiong Dai; Masayuki Wasa; Jin-Quan Yu","Pd(II)-Catalyzed Ortho Trifluoromethylation of Arenes and Insights into the Coordination Mode of Acidic Amide Directing Groups","Journal of the American Chemical Society","2012","134","","11948","11951","10.1021/ja305259n","","","0.71073","MoKα","","0.0248","0.0191","","","0.0413","0.0428","","","","","","1.037","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118380","13.9419","0.0008","22.1802","0.0012","31.5865","0.0013","90","","90","","90","","9767.6","0.9","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","CS-10084","hartwig09","","- C100 H136 Cl F6 Ir N2 O10 P2 -","- C100 H136 Cl F6 Ir N2 O10 P2 -","- C400 H544 Cl4 F24 Ir4 N8 O40 P8 -","4","1","","Christo S. Sevov; Jianrong (Steve) Zhou; John F. Hartwig","Iridium-Catalyzed Intermolecular Hydroamination of Unactivated Aliphatic Alkenes with Amides and Sulfonamides","Journal of the American Chemical Society","2012","134","","11960","11963","10.1021/ja3052848","","","0.71073","MoKα","","0.0736","0.057","","","0.1076","0.1141","","","","","","1.063","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118381","14.5387","0.0005","17.1238","0.0006","38.6297","0.0013","90","","99.033","0.002","90","","9497.9","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(5,6)Sc3N@C80N-(4-isopropoxyphenyl)nitrene 0.88 benzene 0.12 CS2","","","- C94.4 H16.27 N2 O S0.24 Sc3 -","- C94.395 H16.274 N2 O S0.242 Sc3 -","- C755.16 H130.192 N16 O8 S1.936 Sc24 -","8","1","","Tong-Xin Liu; Tao Wei; San-E Zhu; Guan-Wu Wang; Mingzhi Jiao; Shangfeng Yang; Faye L. Bowles; Marilyn M. Olmstead; Alan L. Balch","Azide Addition to an Endohedral Metallofullerene: Formation of Azafulleroids of Sc3N@Ih-C80","Journal of the American Chemical Society","2012","134","","11956","11959","10.1021/ja305446v","","","0.7749","synchrotron","","0.0684","0.0546","","","0.144","0.158","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118382","41.62","0.01","34.203","0.004","19.61","0.01","90","","90","","90","","27915","16","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C162 H234 N18 O75 P12 Pt6 S12 -","- C150 H54 N18 O75 P12 Pt6 S12 -","- C600 H216 N72 O300 P48 Pt24 S48 -","4","0.5","","Sébastien Bivaud; Jean-Yves Balandier; Marcos Chas; Magali Allain; Sébastien Goeb; Marc Sallé","A Metal-Directed Self-Assembled Electroactive Cage with Bis(pyrrolo)tetrathiafulvalene (BPTTF) Side Walls","Journal of the American Chemical Society","2012","134","","11968","11970","10.1021/ja305451v","","x-ray","0.71073","MoKα","","","0.1862","","","","0.5863","","","","","","1.927","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118383","9.951","0.002","11.461","0.002","15.275","0.003","90","","90","","90","","1742.1","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 N2 -","- C18 H28 N2 -","- C72 H112 N8 -","4","1","","Shaoguang Zhang; Junnian Wei; Ming Zhan; Qian Luo; Chao Wang; Wen-Xiong Zhang; Zhenfeng Xi","2,6-Diazasemibullvalenes: Synthesis, Structural Characterization, Reaction Chemistry, and Theoretical Analysis","Journal of the American Chemical Society","2012","134","","11964","11967","10.1021/ja305581f","","","0.71073","MoKα","","0.3409","0.0859","","","0.1055","0.1211","","","","","","0.876","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118384","19.009","0.004","15.288","0.003","7.6842","0.0015","90","","95.16","0.03","90","","2224.1","0.8","123","2","123","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C26 H30 N2 -","- C26 H30 N2 -","- C104 H120 N8 -","4","1","","Shaoguang Zhang; Junnian Wei; Ming Zhan; Qian Luo; Chao Wang; Wen-Xiong Zhang; Zhenfeng Xi","2,6-Diazasemibullvalenes: Synthesis, Structural Characterization, Reaction Chemistry, and Theoretical Analysis","Journal of the American Chemical Society","2012","134","","11964","11967","10.1021/ja305581f","","","0.71073","MoKα","","0.1675","0.0669","","","0.1482","0.2117","","","","","","0.892","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118385","14.708","0.003","9.242","0.0018","17.761","0.004","90","","98.32","0.03","90","","2388.9","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 N2 O4 -","- C24 H34 N2 O4 -","- C96 H136 N8 O16 -","4","1","","Shaoguang Zhang; Junnian Wei; Ming Zhan; Qian Luo; Chao Wang; Wen-Xiong Zhang; Zhenfeng Xi","2,6-Diazasemibullvalenes: Synthesis, Structural Characterization, Reaction Chemistry, and Theoretical Analysis","Journal of the American Chemical Society","2012","134","","11964","11967","10.1021/ja305581f","","","0.71073","MoKα","","0.2812","0.0669","","","0.1282","0.2148","","","","","","0.904","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118386","23.684","0.003","23.684","0.003","16.094","0.003","90","","90","","90","","9028","2","293","2","293","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C25 H33 N3 O -","- C25 H33 N3 O -","- C400 H528 N48 O16 -","16","1","","Shaoguang Zhang; Junnian Wei; Ming Zhan; Qian Luo; Chao Wang; Wen-Xiong Zhang; Zhenfeng Xi","2,6-Diazasemibullvalenes: Synthesis, Structural Characterization, Reaction Chemistry, and Theoretical Analysis","Journal of the American Chemical Society","2012","134","","11964","11967","10.1021/ja305581f","","","0.71073","MoKα","","0.2207","0.0725","","","0.1431","0.2163","","","","","","0.971","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118387","13.582","0.003","18.279","0.004","17.283","0.004","90","","96.6","0.03","90","","4262.3","1.7","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H64 N4 Ni -","- C45 H64 N4 Ni -","- C180 H256 N16 Ni4 -","4","1","","Shaoguang Zhang; Junnian Wei; Ming Zhan; Qian Luo; Chao Wang; Wen-Xiong Zhang; Zhenfeng Xi","2,6-Diazasemibullvalenes: Synthesis, Structural Characterization, Reaction Chemistry, and Theoretical Analysis","Journal of the American Chemical Society","2012","134","","11964","11967","10.1021/ja305581f","","","0.71073","MoKα","","0.2793","0.0739","","","0.0828","0.1205","","","","","","0.718","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118388","17.5048","0.0015","18.0868","0.0015","7.8839","0.0007","90","","91.904","0.001","90","","2494.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Cl O5 -","- C28 H33 Cl O5 -","- C112 H132 Cl4 O20 -","4","1","","Leonard Kaysser; Peter Bernhardt; Sang-Jip Nam; Sandra Loesgen; J. Graham Ruby; Peter Skewes-Cox; Paul R. Jensen; William Fenical; Bradley S. Moore","Merochlorins A-D, Cyclic Meroterpenoid Antibiotics Biosynthesized in Divergent Pathways with Vanadium-Dependent Chloroperoxidases","Journal of the American Chemical Society","2012","134","","11988","11991","10.1021/ja305665f","","","0.71073","MoKα","","0.0822","0.0452","","","0.098","0.1103","","","","","","1.029","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118389","10.4455","0.0003","10.4752","0.0003","29.5012","0.001","100.05","0.002","99.953","0.002","90.017","0.002","3129.07","0.17","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N O -","- C21 H17 N O -","- C168 H136 N8 O8 -","8","4","","Yi-Feng Wang; Hui Chen; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic Aliphatic C-H Oxygenation Directed by an Amidine Moiety","Journal of the American Chemical Society","2012","134","","11980","11983","10.1021/ja305833a","","","0.71073","MoKα","","0.0902","0.0574","","","0.1469","0.174","","","","","","1.03","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118390","12.3032","0.0012","5.6451","0.0005","12.6251","0.0009","90","","111.284","0.003","90","","817.04","0.12","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O -","- C21 H21 N O -","- C42 H42 N2 O2 -","2","1","","Yi-Feng Wang; Hui Chen; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic Aliphatic C-H Oxygenation Directed by an Amidine Moiety","Journal of the American Chemical Society","2012","134","","11980","11983","10.1021/ja305833a","","","0.71073","MoKα","","0.0352","0.0312","","","0.0751","0.0772","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118391","18.3125","0.0017","7.4191","0.0006","24.023","0.002","90","","103.336","0.002","90","","3175.8","0.5","100","2","100","2","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C21 H26 -","- C21 H26 -","- C168 H208 -","8","2","","Karavadhi Surendra; E. J. Corey","Highly Enantioselective Proton-Initiated Polycyclization of Polyenes","Journal of the American Chemical Society","2012","134","","11992","11994","10.1021/ja305851h","","","0.41328","synchrotron","","0.0936","0.0518","","","0.111","0.1462","","","","","","1.08","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118392","10.3362","0.0006","8.8687","0.0008","10.1656","0.0009","90","","91.514","0.008","90","","931.54","0.13","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B4 Fe4 Li4 O12 -","- B4 Fe4 Li4 O12 -","- B16 Fe16 Li16 O48 -","4","1","","Yuri Janssen; Derek S. Middlemiss; Shou-Hang Bo; Clare P. Grey; Peter G. Khalifah","Structural Modulation in the High Capacity Battery Cathode Material LiFeBO3","Journal of the American Chemical Society","2012","134","","12516","12527","10.1021/ja301881c","","x-ray","0.71073","","","","","","","","","","","","","","","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118393","6.634","0.019","7.46","0.02","16.24","0.04","90","","91.67","0.03","90","","803","4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 Cl N O2 -","- C19 H18 Cl N O2 -","- C38 H36 Cl2 N2 O4 -","2","1","","Gen Zhang; Yunxia Ma; Shoulei Wang; Yaohu Zhang; Rui Wang","Enantioselective Metal/Organo-Catalyzed Aerobic Oxidative sp3 C-H Olefination of Tertiary Amines Using Molecular Oxygen as the Sole Oxidant","Journal of the American Chemical Society","2012","134","","12334","12337","10.1021/ja303333k","","","0.71073","MoKα","","0.1007","0.0573","","","0.1217","0.1458","","","","","","1.01","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118394","16.2692","0.0019","14.4294","0.0016","36.797","0.004","90","","102.173","0.002","90","","8444","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C102 H108 B2 Fe2 N O3 P6 -","- C102 H108 B2 Fe2 N O3 P6 -","- C408 H432 B8 Fe8 N4 O12 P24 -","4","1","","R. Adam Kinney; Caroline T. Saouma; Jonas C. Peters; Brian M. Hoffman","Modeling the Signatures of Hydrides in Metalloenzymes: ENDOR Analysis of a Di-iron Fe(μ-NH)(μ-H)Fe Core","Journal of the American Chemical Society","2012","134","","12637","12647","10.1021/ja303739g","","","0.71073","MoKα","","0.1115","0.062","","","0.1391","0.1607","","","","","","1.031","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118395","7.875","0.003","14.873","0.005","4.5444","0.0015","90","","90","","90","","532.3","0.3","200","2","200","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Ca0.68 Eu1.32 Ge2 Pb -","- Ca0.676 Eu1.324 Ge2 Pb -","- Ca2.704 Eu5.296 Ge8 Pb4 -","4","0.5","","Nian-Tzu Suen; James Hooper; Eva Zurek; Svilen Bobev","On the Nature of Ge-Pb Bonding in the Solid State. Synthesis, Structural Characterization, and Electronic Structures of Two Unprecedented Germanide-Plumbides","Journal of the American Chemical Society","2012","134","","12708","12716","10.1021/ja3042838","","","0.71073","MoKα","","0.0203","0.0182","","","0.0378","0.0385","","","","","","1.034","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118396","3.989","0.0014","15.243","0.005","4.5365","0.0016","90","","90","","90","","275.84","0.16","200","2","200","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- Eu1.6 Ge2 Pb Sr0.4 -","- Eu1.596 Ge2 Pb Sr0.404 -","- Eu3.192 Ge4 Pb2 Sr0.808 -","2","0.125","","Nian-Tzu Suen; James Hooper; Eva Zurek; Svilen Bobev","On the Nature of Ge-Pb Bonding in the Solid State. Synthesis, Structural Characterization, and Electronic Structures of Two Unprecedented Germanide-Plumbides","Journal of the American Chemical Society","2012","134","","12708","12716","10.1021/ja3042838","","","0.71073","MoKα","","0.0297","0.0279","","","0.0601","0.0605","","","","","","1.184","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118397","23.697","0.01","16.49","0.006","11.23","0.005","90","0.0015","111.69","0.0019","90","0.0015","4078","3","103.15","","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 Cl3 O3 P S -","- C17 H20 Cl3 O3 P S -","- C136 H160 Cl24 O24 P8 S8 -","8","1","","Akifumi Nakamura; Takeharu Kageyama; Hiroki Goto; Brad P. Carrow; Shingo Ito; Kyoko Nozaki","P-Chiral Phosphine-Sulfonate/Palladium-Catalyzed Asymmetric Copolymerization of Vinyl Acetate with Carbon Monoxide","Journal of the American Chemical Society","2012","134","","12366","12369","10.1021/ja3044344","","","0.7107","MoKα","","0.0646","0.0476","","","0.0893","0.0959","","","","","","1.089","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118398","8.082","0.003","15.462","0.006","25.416","0.011","90","","90","","90","","3176","2","93.15","","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 Cl6 O5 P S -","- C28 H25 Cl6 O5 P S -","- C112 H100 Cl24 O20 P4 S4 -","4","1","","Akifumi Nakamura; Takeharu Kageyama; Hiroki Goto; Brad P. Carrow; Shingo Ito; Kyoko Nozaki","P-Chiral Phosphine-Sulfonate/Palladium-Catalyzed Asymmetric Copolymerization of Vinyl Acetate with Carbon Monoxide","Journal of the American Chemical Society","2012","134","","12366","12369","10.1021/ja3044344","","","0.71075","MoKα","","0.0891","0.0753","","","0.1627","0.1736","","","","","","1.096","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118399","11.915","0.003","21.699","0.005","22.52","0.006","114.526","0.004","98.007","0.0015","94.549","0.003","5184","2","93.15","","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C110 H103 F6 O24 P3 Pd3 S3 -","- C110 H103 F6 O24 P3 Pd3 S3 -","- C220 H206 F12 O48 P6 Pd6 S6 -","2","1","","Akifumi Nakamura; Takeharu Kageyama; Hiroki Goto; Brad P. Carrow; Shingo Ito; Kyoko Nozaki","P-Chiral Phosphine-Sulfonate/Palladium-Catalyzed Asymmetric Copolymerization of Vinyl Acetate with Carbon Monoxide","Journal of the American Chemical Society","2012","134","","12366","12369","10.1021/ja3044344","","","0.71075","MoKα","","0.0748","0.0579","","","0.1188","0.13","","","","","","1.094","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118400","24.2912","0.0018","8.2539","0.0006","11.5292","0.0007","90","","91.22","0.04","90","","2311","0.3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0545","","","","0.0966","","","","","","0.984","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118401","24.3004","0.0019","8.1645","0.0007","11.2542","0.0008","90","","92.045","0.004","90","","2231.4","0.3","13","","13","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0419","","","","0.0618","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118402","24.2761","0.0018","8.159","0.0006","11.2577","0.0008","90","","92.02","0.004","90","","2228.4","0.3","40","","40","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0441","","","","0.0375","","","","","","1.217","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118403","24.2832","0.0018","8.1703","0.0006","11.281","0.0008","90","","91.942","0.004","90","","2236.9","0.3","65","","65","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0393","","","","0.067","","","","","","0.899","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118404","24.2881","0.0018","8.1785","0.0007","11.3075","0.0008","90","","91.842","0.0004","90","","2245","0.3","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0535","","","","0.0565","","","","","","1.255","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118405","24.298","0.0019","8.1698","0.0007","11.3283","0.0008","90","","91.664","0.004","90","","2247.8","0.3","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0541","","","","0.0646","","","","","","1.271","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118406","24.291","0.0018","8.1925","0.0006","11.3719","0.0008","90","","91.677","0.004","90","","2262.1","0.3","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0535","","","","0.0417","","","","","","1.244","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118407","24.2767","0.0017","8.1964","0.0006","11.3949","0.0007","90","","91.586","0.004","90","","2266.5","0.3","180","","180","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0581","","","","0.0929","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118408","24.2726","0.0017","8.1912","0.0006","11.3966","0.0007","90","","91.501","0.004","90","","2265.1","0.3","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0589","","","","0.0506","","","","","","1.286","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118409","24.275","0.0018","8.2202","0.0006","11.4529","0.0007","90","","91.352","0.004","90","","2284.7","0.3","250","","250","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0557","","","","0.1433","","","","","","0.981","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118410","8.4676","0.0018","9.549","0.002","15.57","0.003","90","","90","","90","","1258.9","0.4","223","2","223","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C2 H5 N3 O4 P Zn0.5 -","- C2 H5 N3 O4 P Zn0.5 -","- C16 H40 N24 O32 P8 Zn4 -","8","1","","Daiki Umeyama; Satoshi Horike; Munehiro Inukai; Tomoya Itakura; Susumu Kitagawa","Inherent Proton Conduction in a 2D Coordination Framework","Journal of the American Chemical Society","2012","134","","12780","12785","10.1021/ja304693r","","","0.71075","MoKα","","0.0555","0.0458","","","0.1454","0.161","","","","","","1.21","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118411","16.0415","0.0008","17.54","0.0009","21.4178","0.0011","90.053","0.001","99.441","0.001","110.809","0.001","5545.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C128 H172 N2 O12 U2 -","- C128 H172 N2 O12 U2 -","- C256 H344 N4 O24 U4 -","2","1","","Boris Kosog; Christos E. Kefalidis; Frank W. Heinemann; Laurent Maron; Karsten Meyer","Uranium(III)-Mediated C-C-Coupling of Terminal Alkynes: Formation of Dinuclear Uranium(IV) Vinyl Complexes","Journal of the American Chemical Society","2012","134","","12792","12797","10.1021/ja3047393","","","0.71073","MoKα","","0.075","0.0429","","","0.0984","0.112","","","","","","1.025","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118412","28.114","0.003","18.5122","0.0018","21.76","0.002","90","","109.604","0.002","90","","10668.6","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C123 H160 N2 O10 U2 -","- C123.004 H160.01 N2 O10.002 U2 -","- C492.016 H640.04 N8 O40.008 U8 -","4","1","","Boris Kosog; Christos E. Kefalidis; Frank W. Heinemann; Laurent Maron; Karsten Meyer","Uranium(III)-Mediated C-C-Coupling of Terminal Alkynes: Formation of Dinuclear Uranium(IV) Vinyl Complexes","Journal of the American Chemical Society","2012","134","","12792","12797","10.1021/ja3047393","","","0.71073","MoKα","","0.0562","0.0427","","","0.0841","0.0863","","","","","","1.874","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118413","15.308","0.002","16.227","0.0008","22.224","0.003","102.031","0.005","101.942","0.009","91.137","0.008","5270.9","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C124 H162 N2 O8 U2 -","- C124 H152 N2 O8 U2 -","- C248 H304 N4 O16 U4 -","2","1","","Boris Kosog; Christos E. Kefalidis; Frank W. Heinemann; Laurent Maron; Karsten Meyer","Uranium(III)-Mediated C-C-Coupling of Terminal Alkynes: Formation of Dinuclear Uranium(IV) Vinyl Complexes","Journal of the American Chemical Society","2012","134","","12792","12797","10.1021/ja3047393","","","0.71073","MoKα","","0.0653","0.0363","","","0.0711","0.0802","","","","","","1.006","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118414","16.441","0.002","28.227","0.003","25.512","0.003","90","","104.997","0.003","90","","11436","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C138 H175 N2 O9 U2 -","- C138 H170 N2 O9 U2 -","- C552 H680 N8 O36 U8 -","4","1","","Boris Kosog; Christos E. Kefalidis; Frank W. Heinemann; Laurent Maron; Karsten Meyer","Uranium(III)-Mediated C-C-Coupling of Terminal Alkynes: Formation of Dinuclear Uranium(IV) Vinyl Complexes","Journal of the American Chemical Society","2012","134","","12792","12797","10.1021/ja3047393","","","0.71073","MoKα","","0.0655","0.0408","","","0.0959","0.1092","","","","","","1.056","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118415","7.136","0.0015","9.2544","0.0019","19.013","0.004","90","","90","","90","","1255.6","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Dixit Parmar; Hiroshi Matsubara; Kieran Price; Malcolm Spain; David J. Procter","Lactone Radical Cyclizations and Cyclization Cascades Mediated by SmI2-H2O","Journal of the American Chemical Society","2012","134","","12751","12757","10.1021/ja3047975","","","0.71073","MoKα","","0.0493","0.0451","","","0.1123","0.1144","","","","","","1.093","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118416","6.3855","0.0008","29.839","0.004","7.4877","0.0009","90","","109.527","0.002","90","","1344.6","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 O2 Si -","- C12 H24 O2 Si -","- C48 H96 O8 Si4 -","4","1","","Dixit Parmar; Hiroshi Matsubara; Kieran Price; Malcolm Spain; David J. Procter","Lactone Radical Cyclizations and Cyclization Cascades Mediated by SmI2-H2O","Journal of the American Chemical Society","2012","134","","12751","12757","10.1021/ja3047975","","","0.71073","MoKα","","0.1195","0.1098","","","0.2395","0.2442","","","","","","1.308","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118417","10.0113","0.0008","7.6975","0.0006","17.9712","0.0015","90","","105.615","0.002","90","","1333.78","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 O2 Si -","- C13 H24 O2 Si -","- C52 H96 O8 Si4 -","4","1","","Dixit Parmar; Hiroshi Matsubara; Kieran Price; Malcolm Spain; David J. Procter","Lactone Radical Cyclizations and Cyclization Cascades Mediated by SmI2-H2O","Journal of the American Chemical Society","2012","134","","12751","12757","10.1021/ja3047975","","","0.71073","MoKα","","0.0596","0.0476","","","0.1128","0.1188","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118418","7.497","0.0005","18.6164","0.0012","11.6874","0.0008","90","","101.693","0.007","90","","1597.33","0.19","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Dixit Parmar; Hiroshi Matsubara; Kieran Price; Malcolm Spain; David J. Procter","Lactone Radical Cyclizations and Cyclization Cascades Mediated by SmI2-H2O","Journal of the American Chemical Society","2012","134","","12751","12757","10.1021/ja3047975","","","0.71073","MoKα","","0.0667","0.0465","","","0.1087","0.1194","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118419","11.1096","0.0005","7.8801","0.0003","13.7447","0.0006","90","","110.92","0.005","90","","1123.96","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 O2 -","- C12 H22 O2 -","- C48 H88 O8 -","4","1","","Dixit Parmar; Hiroshi Matsubara; Kieran Price; Malcolm Spain; David J. Procter","Lactone Radical Cyclizations and Cyclization Cascades Mediated by SmI2-H2O","Journal of the American Chemical Society","2012","134","","12751","12757","10.1021/ja3047975","","","0.71073","MoKα","","0.0514","0.0419","","","0.0981","0.1049","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118420","13.1666","0.0007","26.4092","0.0016","10.3219","0.0006","90","","111.782","0.004","90","","3332.9","0.3","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C31 H55 Cl2 In N2 O2 -","- C31 H55 Cl2 In N2 O2 -","- C124 H220 Cl8 In4 N8 O8 -","4","2","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0992","0.0701","","","0.177","0.1991","","","","","","1.009","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118421","8.29","0.0003","12.3742","0.0005","12.9732","0.0005","90","","98.477","0.002","90","","1316.28","0.09","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H36 I2 In N3 O -","- C22 H36 I2 In N3 O -","- C44 H72 I4 In2 N6 O2 -","2","1","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0313","0.0282","","","0.0629","0.0643","","","","","","1.095","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4118422","9.328","0.0006","11.9779","0.0009","14.8126","0.0009","81.227","0.004","84.778","0.004","69.172","0.004","1527.55","0.18","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C48 H84 Cl8 I2 In2 N4 O4 -","- C48 H84 Cl8 I2 In2 N4 O4 -","- C48 H84 Cl8 I2 In2 N4 O4 -","1","1","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0453","0.0299","","","0.055","0.0597","","","","","","1.016","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118423","10.4732","0.0006","10.9899","0.0006","11.9172","0.0007","84.305","0.003","86.763","0.003","79.914","0.003","1342.73","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H44 I In N2 O2 -","- C25 H44 I In N2 O2 -","- C50 H88 I2 In2 N4 O4 -","2","1","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0446","0.0255","","","0.0528","0.0596","","","","","","1.028","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118424","10.5934","0.0002","17.4212","0.0004","15.661","0.0003","90","","102.128","0.001","90","","2825.73","0.1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H83 I2 In2 N4 O4 -","- C48 H83 I2 In2 N4 O4 -","- C96 H166 I4 In4 N8 O8 -","2","1","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0289","0.0255","","","0.0578","0.0599","","","","","","1.076","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118425","10.3684","0.0008","11.195","0.0008","14.5462","0.0011","102.916","0.004","102.609","0.004","101.865","0.004","1547.5","0.2","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C56 H100 I2 In2 N4 O8 -","- C56 H100 I2 In2 N4 O8 -","- C56 H100 I2 In2 N4 O8 -","1","1","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0389","0.0326","","","0.0793","0.0861","","","","","","1.076","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118426","4.619","0.0002","18.6734","0.0006","35.2274","0.001","90","","90","","90","","3038.45","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Br O2 -","- C15 H17 Br O2 -","- C120 H136 Br8 O16 -","8","2","","R. Kashif M. Khan; Robert V. O'Brien; Sebastian Torker; Bo Li; Amir H. Hoveyda","Z- and Enantioselective Ring-Opening/Cross-Metathesis with Enol Ethers Catalyzed by Stereogenic-at-Ru Carbenes: Reactivity, Selectivity, and Curtin-Hammett Kinetics","Journal of the American Chemical Society","2012","134","","12774","12779","10.1021/ja304827a","","","1.54178","CuKα","","0.0459","0.0377","","","0.0831","0.086","","","","","","1.023","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118427","23.6367","0.0008","4.8124","0.0002","16.9657","0.0006","90","","118.196","0.003","90","","1700.83","0.12","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","1","","R. Kashif M. Khan; Robert V. O'Brien; Sebastian Torker; Bo Li; Amir H. Hoveyda","Z- and Enantioselective Ring-Opening/Cross-Metathesis with Enol Ethers Catalyzed by Stereogenic-at-Ru Carbenes: Reactivity, Selectivity, and Curtin-Hammett Kinetics","Journal of the American Chemical Society","2012","134","","12774","12779","10.1021/ja304827a","","","1.54178","CuKα","","0.0409","0.0331","","","0.0702","0.0736","","","","","","1.045","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118428","7.6609","0.0004","5.2659","0.0003","17.452","0.0008","90","","97.885","0.003","90","","697.38","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 O2 S -","- C15 H18 O2 S -","- C30 H36 O4 S2 -","2","1","","R. Kashif M. Khan; Robert V. O'Brien; Sebastian Torker; Bo Li; Amir H. Hoveyda","Z- and Enantioselective Ring-Opening/Cross-Metathesis with Enol Ethers Catalyzed by Stereogenic-at-Ru Carbenes: Reactivity, Selectivity, and Curtin-Hammett Kinetics","Journal of the American Chemical Society","2012","134","","12774","12779","10.1021/ja304827a","","","0.71073","MoKα","","0.0305","0.0271","","","0.0661","0.0679","","","","","","1.041","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118429","10.4852","0.0009","13.3205","0.0011","17.2875","0.0017","90","","90","","90","","2414.5","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 Cl2 N O2 -","- C26 H31 Cl2 N O2 -","- C104 H124 Cl8 N4 O8 -","4","1","","Brian S. Lucas; Benjamin Fisher; Lawrence R. McGee; Steven H. Olson; Julio C. Medina; Eugene Cheung","An Expeditious Synthesis of the MDM2-p53 Inhibitor AM-8553","Journal of the American Chemical Society","2012","134","","12855","12860","10.1021/ja305123v","","","1.54178","CuKα","","0.0835","0.0664","","","0.1672","0.1817","","","","","","1.044","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118430","9.1958","0.0007","13.9189","0.0011","12.6004","0.001","90","","104.126","0.001","90","","1564","0.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H27 N O3 -","- C17 H27 N O3 -","- C68 H108 N4 O12 -","4","1","","Hui Ming Ge; Lan-De Zhang; Ren Xiang Tan; Zhu-Jun Yao","Protecting Group-Free Total Synthesis of (-)-Lannotinidine B","Journal of the American Chemical Society","2012","134","","12323","12325","10.1021/ja305261h","","","0.71073","MoKα","","0.0363","0.0341","","","0.0944","0.0964","","","","","","1.05","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118431","7.0468","0.0004","7.1015","0.0004","15.3922","0.0008","87.122","0.004","83.596","0.005","74.946","0.005","739.01","0.07","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H26 Cl N O -","- C16 H26 Cl N O -","- C32 H52 Cl2 N2 O2 -","2","2","","Hui Ming Ge; Lan-De Zhang; Ren Xiang Tan; Zhu-Jun Yao","Protecting Group-Free Total Synthesis of (-)-Lannotinidine B","Journal of the American Chemical Society","2012","134","","12323","12325","10.1021/ja305261h","","","0.71073","MoKα","","0.056","0.0527","","","0.145","0.1467","","","","","","1.081","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118432","7.5258","0.0013","16.3434","0.0045","17.6314","0.0049","90","","94.065","0.015","90","","2163.2","0.9","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N10 Ni O8 S2 -","- C30 H32 N10 Ni O8 S2 -","- C60 H64 N20 Ni2 O16 S4 -","2","0.5","","Valentina Colombo; Carmen Montoro; Angelo Maspero; Giovanni Palmisano; Norberto Masciocchi; Simona Galli; Elisa Barea; Jorge A. R. Navarro","Tuning the Adsorption Properties of Isoreticular Pyrazolate-Based Metal-Organic Frameworks through Ligand Modification","Journal of the American Chemical Society","2012","134","","12830","12843","10.1021/ja305267m","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118433","7.45297","0.00044","15.0032","0.0013","17.612","0.0026","90","","91.2922","0.0055","90","","1968.8","0.4","363","","363","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N9 Ni O7 S2 -","- C27 H25 N9 Ni O7 S2 -","- C54 H50 N18 Ni2 O14 S4 -","2","0.5","","Valentina Colombo; Carmen Montoro; Angelo Maspero; Giovanni Palmisano; Norberto Masciocchi; Simona Galli; Elisa Barea; Jorge A. R. Navarro","Tuning the Adsorption Properties of Isoreticular Pyrazolate-Based Metal-Organic Frameworks through Ligand Modification","Journal of the American Chemical Society","2012","134","","12830","12843","10.1021/ja305267m","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118434","7.45937","0.00048","15.5887","0.0018","17.1515","0.0031","90","","91.6479","0.0082","90","","1993.6","0.4","523","","523","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N8 Ni O6 S2 -","- C24 H18 N8 Ni O6 S2 -","- C48 H36 N16 Ni2 O12 S4 -","2","0.5","","Valentina Colombo; Carmen Montoro; Angelo Maspero; Giovanni Palmisano; Norberto Masciocchi; Simona Galli; Elisa Barea; Jorge A. R. Navarro","Tuning the Adsorption Properties of Isoreticular Pyrazolate-Based Metal-Organic Frameworks through Ligand Modification","Journal of the American Chemical Society","2012","134","","12830","12843","10.1021/ja305267m","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118435","38.135","0.003","10.364","0.002","25.782","0.002","90","","112.2","0.02","90","","9434","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 Cl2 F3 N3 O7.5 Re S -","- C46 H48 Cl2 F3 N3 O7.5 Re S -","- C368 H384 Cl16 F24 N24 O60 Re8 S8 -","8","1","","Martin Kuss-Petermann; Hilke Wolf; Dietmar Stalke; Oliver S. Wenger","Influence of Donor-Acceptor Distance Variation on Photoinduced Electron and Proton Transfer in Rhenium(I)-Phenol Dyads","Journal of the American Chemical Society","2012","134","","12844","12854","10.1021/ja3053046","","","0.71073","MoKα","","0.0464","0.0279","","","0.0499","0.0548","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118436","7.5941","0.0015","11.207","0.002","14.909","0.003","90","","94.05","0.03","90","","1265.7","0.4","571","2","571","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H28 O7 -","- C30 H28 O7 -","- C60 H56 O14 -","2","1","","Chao Li; Longyang Dian; Weidong Zhang; Xiaoguang Lei","Biomimetic Syntheses of (-)-Gochnatiolides A-C and (-)-Ainsliadimer B","Journal of the American Chemical Society","2012","134","","12414","12417","10.1021/ja305464s","","","0.71073","MoKα","","0.168","0.0518","","","0.0498","0.0577","","","","","","0.745","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118437","9.988","0.005","7.091","0.003","19.356","0.009","90","","94.828","0.009","90","","1366","1.1","446","2","446","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N O7 -","- C30 H30 O7 -","- C60 H60 O14 -","2","1","","Chao Li; Longyang Dian; Weidong Zhang; Xiaoguang Lei","Biomimetic Syntheses of (-)-Gochnatiolides A-C and (-)-Ainsliadimer B","Journal of the American Chemical Society","2012","134","","12414","12417","10.1021/ja305464s","","","0.71073","MoKα","","0.0722","0.064","","","0.1058","0.1092","","","","","","1.172","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118438","8.6537","0.0012","12.5475","0.0017","25.388","0.003","90","","90","","90","","2756.7","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Cl2 O6 -","- C31 H32 Cl2 O6 -","- C124 H128 Cl8 O24 -","4","1","","Chao Li; Longyang Dian; Weidong Zhang; Xiaoguang Lei","Biomimetic Syntheses of (-)-Gochnatiolides A-C and (-)-Ainsliadimer B","Journal of the American Chemical Society","2012","134","","12414","12417","10.1021/ja305464s","","","1.54186","CuKα","","0.108","0.0939","","","0.2337","0.2492","","","","","","1.109","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118439","12.6693","0.0018","15.589","0.002","12.7899","0.0018","90","","90.318","0.002","90","","2526","0.6","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H51 Cl4 I N2 O2 Ru -","- C54 H51 Cl4 I N2 O2 Ru -","- C108 H102 Cl8 I2 N4 O4 Ru2 -","2","1","","R. Kashif M. Khan; Adil R. Zhugralin; Sebastian Torker; Robert V. O'Brien; Pamela J. Lombardi; Amir H. Hoveyda","Synthesis, Isolation, Characterization, and Reactivity of High-Energy Stereogenic-at-Ru Carbenes: Stereochemical Inversion through Olefin Metathesis and Other Pathways","Journal of the American Chemical Society","2012","134","","12438","12441","10.1021/ja3056722","","","0.71073","MoKα","","0.0641","0.0504","","","0.1223","0.1328","","","","","","1.044","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118440","14.4187","0.0007","9.2805","0.0005","15.6456","0.0008","90","","97.2292","0.0006","90","","2076.94","0.18","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 O Si -","- C21 H34 O Si -","- C84 H136 O4 Si4 -","4","1","","Margaret A. Greene; Michel Prévost; Joshua Tolopilo; K. A. Woerpel","Diastereoselective Synthesis of Seven-Membered-Ring trans-Alkenes from Dienes and Aldehydes by Silylene Transfer","Journal of the American Chemical Society","2012","134","","12482","12484","10.1021/ja305713v","","","0.71073","MoKα","","0.0487","0.037","","","0.0939","0.1021","","","","","","1.031","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118441","14.643","0.0008","9.0342","0.0005","14.9309","0.0008","90","","99.655","0.0007","90","","1947.2","0.18","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 O Si -","- C20 H32 O Si -","- C80 H128 O4 Si4 -","4","1","","Margaret A. Greene; Michel Prévost; Joshua Tolopilo; K. A. Woerpel","Diastereoselective Synthesis of Seven-Membered-Ring trans-Alkenes from Dienes and Aldehydes by Silylene Transfer","Journal of the American Chemical Society","2012","134","","12482","12484","10.1021/ja305713v","","","0.71073","MoKα","","0.0414","0.0347","","","0.092","0.0969","","","","","","1.037","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118442","8.1378","0.0007","12.5293","0.001","30.853","0.003","90","","90","","90","","3145.8","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H54 O2 Si2 -","- C30 H54 O2 Si2 -","- C120 H216 O8 Si8 -","4","1","","Margaret A. Greene; Michel Prévost; Joshua Tolopilo; K. A. Woerpel","Diastereoselective Synthesis of Seven-Membered-Ring trans-Alkenes from Dienes and Aldehydes by Silylene Transfer","Journal of the American Chemical Society","2012","134","","12482","12484","10.1021/ja305713v","","","0.71073","MoKα","","0.0285","0.0269","","","0.0684","0.0694","","","","","","1.11","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118443","10.1036","0.0008","13.2601","0.0011","16.4985","0.0013","92.8478","0.001","104.675","0.001","94.8505","0.001","2124.8","0.3","148","2","148","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H36 O2 Si -","- C21 H36 O2 Si -","- C84 H144 O8 Si4 -","4","2","","Margaret A. Greene; Michel Prévost; Joshua Tolopilo; K. A. Woerpel","Diastereoselective Synthesis of Seven-Membered-Ring trans-Alkenes from Dienes and Aldehydes by Silylene Transfer","Journal of the American Chemical Society","2012","134","","12482","12484","10.1021/ja305713v","","","0.71073","MoKα","","0.0505","0.0445","","","0.1193","0.124","","","","","","1.038","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118444","13.0479","0.0004","14.4505","0.0005","24.4704","0.0008","90","","90","","90","","4613.9","0.3","98","2","98","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H38 O3 Si -","- C23 H38 O3 Si -","- C184 H304 O24 Si8 -","8","1","","Margaret A. Greene; Michel Prévost; Joshua Tolopilo; K. A. Woerpel","Diastereoselective Synthesis of Seven-Membered-Ring trans-Alkenes from Dienes and Aldehydes by Silylene Transfer","Journal of the American Chemical Society","2012","134","","12482","12484","10.1021/ja305713v","","","0.71073","MoKα","","0.0763","0.0696","","","0.1892","0.197","","","","","","1.027","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118445","33.762","0.004","29.058","0.004","23.261","0.003","90","","112.789","0.002","90","","21039","5","100","","100","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","[4]cyclo-3,9-chrysenylene","","- C120 H136 -","- C120 H136 -","- C960 H1088 -","8","1","","Shunpei Hitosugi; Takashi Yamasaki; Hiroyuki Isobe","Bottom-up Synthesis and Thread-in-Bead Structures of Finite (n,0)-Zigzag Single-Wall Carbon Nanotubes","Journal of the American Chemical Society","2012","134","","12442","12445","10.1021/ja305723j","","","0.71073","MoKα","","0.157","0.1285","","","0.3642","0.3853","","","","","","1.504","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118446","8.6055","0.001","8.1966","0.0009","19.405","0.002","90","","100.105","0.002","90","","1347.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 O3 P -","- C12 H19 O3 P -","- C48 H76 O12 P4 -","4","2","","Kaiwu Dong; Zheng Wang; Kuiling Ding","Rh(I)-Catalyzed Enantioselective Hydrogenation of α-Substituted Ethenylphosphonic Acids","Journal of the American Chemical Society","2012","134","","12474","12477","10.1021/ja305780z","","","0.71073","MoKα","","0.0568","0.0491","","","0.1169","0.1234","","","","","","1.03","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118447","8.2186","0.0011","6.2179","0.0009","12.3208","0.0017","90","","96.635","0.003","90","","625.41","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 O4 P -","- C13 H15 O4 P -","- C26 H30 O8 P2 -","2","1","","Kaiwu Dong; Zheng Wang; Kuiling Ding","Rh(I)-Catalyzed Enantioselective Hydrogenation of α-Substituted Ethenylphosphonic Acids","Journal of the American Chemical Society","2012","134","","12474","12477","10.1021/ja305780z","","","0.71073","MoKα","","0.0335","0.0326","","","0.0827","0.0837","","","","","","1.056","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118448","9.8201","0.0003","9.8553","0.0003","17.5142","0.0006","93.279","0.002","101.951","0.003","97.077","0.002","1639.67","0.09","133","2","133","2","","","","","","","","8","P 1","P 1","1","","","","- C67 H62 F3 N4 O11 P2 Rh S -","- C67 H62 F3 N4 O11 P2 Rh S -","- C67 H62 F3 N4 O11 P2 Rh S -","1","1","","Kaiwu Dong; Zheng Wang; Kuiling Ding","Rh(I)-Catalyzed Enantioselective Hydrogenation of α-Substituted Ethenylphosphonic Acids","Journal of the American Chemical Society","2012","134","","12474","12477","10.1021/ja305780z","","","1.54178","CuKα","","0.0969","0.0866","","","0.2207","0.2323","","","","","","0.989","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118449","29.831","0.001","10.971","0.001","16.524","0.001","90","","123.193","0.001","90","","4525.5","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","A Molecular Gyrotop","","","- C48 H82 Si2 -","- C48 H82 Si2 -","- C192 H328 Si8 -","4","0.5","","Wataru Setaka; Kentaro Yamaguchi","A Molecular Balloon: Expansion of a Molecular Gyrotop Cage Due to Rotation of the Phenylene Rotor","Journal of the American Chemical Society","2012","134","","12458","12461","10.1021/ja305822e","","","0.7","synchrotron","","0.0764","0.0674","","","0.1796","0.1909","","","","","","1.044","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118450","11.994","0.002","11.994","0.002","14.639","0.003","90","","90","","120","","1823.8","0.6","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ce Ga7.87 Pd3.13 -","- Ce Ga7.86467 Pd3.13533 -","- Ce9 Ga70.782 Pd28.218 -","9","0.25","","Melanie C. Francisco; Christos D. Malliakas; Robin T. Macaluso; Joseph Prestigiacomo; Neel Haldolaarachchige; Philip W. Adams; David P. Young; Ying Jia; Helmut Claus; K.E. Gray; Mercouri G. Kanatzidis","Structures and Phase Transitions of CePd3+xGa8-x: New Variants of the BaHg11 Structure Type","Journal of the American Chemical Society","2012","134","","12998","13009","10.1021/ja302812s","","","0.71073","MoKα","","0.0441","0.0376","","","0.0672","0.0692","","","","","","1.187","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118451","11.8617","0.0006","11.9511","0.0005","8.5065","0.0003","90","","90","","90","","1205.88","0.09","298","2","298","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Ce Ga7.79 Pd3.21 -","- Ce Ga7.79333 Pd3.20667 -","- Ce6 Ga46.76 Pd19.24 -","6","0.75","","Melanie C. Francisco; Christos D. Malliakas; Robin T. Macaluso; Joseph Prestigiacomo; Neel Haldolaarachchige; Philip W. Adams; David P. Young; Ying Jia; Helmut Claus; K.E. Gray; Mercouri G. Kanatzidis","Structures and Phase Transitions of CePd3+xGa8-x: New Variants of the BaHg11 Structure Type","Journal of the American Chemical Society","2012","134","","12998","13009","10.1021/ja302812s","","","0.71073","MoKα","","0.0501","0.0417","","","0.0942","0.0988","","","","","","1.095","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118452","8.4643","0.0009","8.4643","0.0009","8.4643","0.0009","90","","90","","90","","606.42","0.11","298","2","298","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ce Ga8.1 Pd2.9 -","- Ce Ga8.13333 Pd2.86667 -","- Ce3 Ga24.4 Pd8.6 -","3","0.0625","","Melanie C. Francisco; Christos D. Malliakas; Robin T. Macaluso; Joseph Prestigiacomo; Neel Haldolaarachchige; Philip W. Adams; David P. Young; Ying Jia; Helmut Claus; K.E. Gray; Mercouri G. Kanatzidis","Structures and Phase Transitions of CePd3+xGa8-x: New Variants of the BaHg11 Structure Type","Journal of the American Chemical Society","2012","134","","12998","13009","10.1021/ja302812s","","","0.71073","MoKα","","0.0386","0.0352","","","0.0584","0.0592","","","","","","1.402","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118453","11.88226","0.00002","11.97582","0.00002","8.533818","0.000015","90","","90","","90","","1214.36","0.004","295","","295","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Ce Ga7.819 Pd3.181 -","- Ce Ga7.79867 Pd3.20133 -","- Ce6 Ga46.792 Pd19.208 -","6","0.75","","Melanie C. Francisco; Christos D. Malliakas; Robin T. Macaluso; Joseph Prestigiacomo; Neel Haldolaarachchige; Philip W. Adams; David P. Young; Ying Jia; Helmut Claus; K.E. Gray; Mercouri G. Kanatzidis","Structures and Phase Transitions of CePd3+xGa8-x: New Variants of the BaHg11 Structure Type","Journal of the American Chemical Society","2012","134","","12998","13009","10.1021/ja302812s","powder diffraction","x-ray","0.41361","","","0.0397","0.0385","","0.0441","0.0439","","","","1.42","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118454","16.8984","0.0008","16.8984","0.0008","16.8984","0.0008","90","","90","","90","","4825.4","0.4","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ce Ga8.31 Pd2.69 -","- Ce Ga8.31333 Pd2.68667 -","- Ce24 Ga199.52 Pd64.48 -","24","0.125","","Melanie C. Francisco; Christos D. Malliakas; Robin T. Macaluso; Joseph Prestigiacomo; Neel Haldolaarachchige; Philip W. Adams; David P. Young; Ying Jia; Helmut Claus; K.E. Gray; Mercouri G. Kanatzidis","Structures and Phase Transitions of CePd3+xGa8-x: New Variants of the BaHg11 Structure Type","Journal of the American Chemical Society","2012","134","","12998","13009","10.1021/ja302812s","","","0.71073","MoKα","","0.043","0.0397","","","0.0706","0.0718","","","","","","1.312","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118455","12.521","0.006","15.079","0.007","22.635","0.01","90","","102","0.007","90","","4180","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H63 N3 O1.5 V -","- C43 H63 N3 O1.5 V -","- C172 H252 N12 O6 V4 -","4","1","","Ba L. Tran; Balazs Pinter; Adam J. Nichols; Felicia T. Konopka; Rick Thompson; Chun-Hsing Chen; J. Krzystek; Andrew Ozarowski; Joshua Telser; Mu-Hyun Baik; Karsten Meyer; Daniel J. Mindiola","A Planar Three-Coordinate Vanadium(II) Complex and the Study of Terminal Vanadium Nitrides from N2: A Kinetic or Thermodynamic Impediment to N-N Bond Cleavage?","Journal of the American Chemical Society","2012","134","","13035","13045","10.1021/ja303360v","","","0.71073","MoKα","","0.2091","0.0687","","","0.1111","0.1497","","","","","","0.95","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118456","13.409","0.005","19.013","0.007","19.713","0.007","90","","96.58","0.007","90","","4993","3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H78 N4 O2 V -","- C52 H78 N4 O2 V -","- C208 H312 N16 O8 V4 -","4","1","","Ba L. Tran; Balazs Pinter; Adam J. Nichols; Felicia T. Konopka; Rick Thompson; Chun-Hsing Chen; J. Krzystek; Andrew Ozarowski; Joshua Telser; Mu-Hyun Baik; Karsten Meyer; Daniel J. Mindiola","A Planar Three-Coordinate Vanadium(II) Complex and the Study of Terminal Vanadium Nitrides from N2: A Kinetic or Thermodynamic Impediment to N-N Bond Cleavage?","Journal of the American Chemical Society","2012","134","","13035","13045","10.1021/ja303360v","","","0.71073","MoKα","","0.1067","0.055","","0.1419","0.1235","0.1419","","","","","","1.0071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118457","20.767","0.002","19.76","0.002","10.9044","0.0013","90","","90","","90","","4474.7","0.8","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C46 H70 N2 O V -","- C46 H70 N2 O V -","- C184 H280 N8 O4 V4 -","4","0.5","","Ba L. Tran; Balazs Pinter; Adam J. Nichols; Felicia T. Konopka; Rick Thompson; Chun-Hsing Chen; J. Krzystek; Andrew Ozarowski; Joshua Telser; Mu-Hyun Baik; Karsten Meyer; Daniel J. Mindiola","A Planar Three-Coordinate Vanadium(II) Complex and the Study of Terminal Vanadium Nitrides from N2: A Kinetic or Thermodynamic Impediment to N-N Bond Cleavage?","Journal of the American Chemical Society","2012","134","","13035","13045","10.1021/ja303360v","","","0.71073","MoKα","","0.072","0.0481","","0.134","0.1112","0.134","","","","","","1.0237","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118458","21.122","0.004","8.837","0.0017","15.91","0.003","90","","106.517","0.003","90","","2847.1","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ToMZn(n-Pr)","","","- C26.5 H42 B N3 O3 Zn -","- C26.5 H36 B N3 O3 Zn -","- C106 H144 B4 N12 O12 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.0545","0.0399","","","0.1116","0.1209","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118459","8.923","0.004","12.263","0.005","24.961","0.011","90","","95.813","0.007","90","","2717","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ToMZnOOnPr","","","- C24 H36 B N3 O5 Zn -","- C24 H36 B N3 O5 Zn -","- C96 H144 B4 N12 O20 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.0927","0.0695","","","0.1667","0.178","","","","","","1.284","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118460","12.3951","0.0005","14.1997","0.0007","17.5742","0.0009","90","","99.652","0.001","90","","3049.4","0.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ToMZnEt","","","- C30 H42 B N3 O3 Zn -","- C30 H42 B N3 O3 Zn -","- C120 H168 B4 N12 O12 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.0392","0.0285","","","0.0729","0.0781","","","","","","1.038","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118461","8.835","0.007","21.999","0.015","14.222","0.014","90","","106.678","0.011","90","","2648","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ToMZntBu","","","- C25 H38 B N3 O3 Zn -","- C25 H38 B N3 O3 Zn -","- C100 H152 B4 N12 O12 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.09","0.0494","","","0.0911","0.1129","","","","","","1.064","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118462","10.9684","0.0005","11.3768","0.0005","13.7524","0.0007","91.326","0.001","90.774","0.001","115.505","0.001","1547.92","0.13","153","2","153","2","","","","","","","","6","P -1","-P 1","2","ToMZnPh","","","- C31 H42 B N3 O4 Zn -","- C31 H42 B N3 O4 Zn -","- C62 H84 B2 N6 O8 Zn2 -","2","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.056","0.0489","","","0.137","0.1429","","","","","","1.026","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118463","14.715","0.0019","15.19","0.002","15.357","0.002","92.092","0.002","107.853","0.002","106.327","0.002","3107.1","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","ToMZnCH2Ph","","","- C29.75 H38 B N3 O3 Zn -","- C29.75 H38 B N3 O3 Zn -","- C119 H152 B4 N12 O12 Zn4 -","4","2","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.071","0.0484","","","0.1487","0.1633","","","","","","1.038","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118464","17.5899","0.0014","9.3476","0.0008","15.935","0.0013","90","","90.569","0.001","90","","2620","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ToMZnOOEt","","","- C23 H34 B N3 O5 Zn -","- C23 H34 B N3 O5 Zn -","- C92 H136 B4 N12 O20 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.0411","0.0323","","","0.0882","0.0981","","","","","","1.068","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118465","19.7541","0.0019","8.777","0.0009","15.5077","0.0015","90","","100.552","0.001","90","","2643.3","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ToMZnOOiPr","","","- C24 H36 B N3 O5 Zn -","- C24 H36 B N3 O5 Zn -","- C96 H144 B4 N12 O20 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.0471","0.0369","","","0.1085","0.1159","","","","","","1.026","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118466","9.1822","0.0012","11.8878","0.0015","13.71","0.0018","99.323","0.002","107.483","0.002","92.158","0.002","1402.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","ToMZnOOtBu","","","- C25 H38 B N3 O5 Zn -","- C25 H38 B N3 O5 Zn -","- C50 H76 B2 N6 O10 Zn2 -","2","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.0478","0.0358","","","0.0836","0.0897","","","","","","1.011","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118467","8.916","0.002","22.469","0.006","16.055","0.004","90","","104.468","0.004","90","","3114.4","1.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ToMZnOOCMe2Ph","","","- C30 H40 B N3 O5 Zn -","- C30 H40 B N3 O5 Zn -","- C120 H160 B4 N12 O20 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.0702","0.0441","","","0.1042","0.119","","","","","","1.007","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118468","10.829","0.003","16.664","0.004","17.448","0.005","99.376","0.006","104.706","0.005","94.808","0.005","2978.8","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","ToM2Zn","bis(tris(4,4-dimethyl-2-oxazolinyl)phenyl)borato)zinc","","- C59.5 H78 B2 N6 O6 Zn -","- C56 H74 B2 N6 O6 Zn -","- C112 H148 B4 N12 O12 Zn2 -","2","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.1027","0.0839","","","0.2351","0.2505","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118469","4.0276","0.0001","4.02761","","27.3441","0.0004","90","","90","","90","","443.565","0.013","","","298","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- As4 Ba2 Fe2 O Ti2 -","- As4 Ba2 Fe2 O Ti2 -","- As8 Ba4 Fe4 O2 Ti4 -","2","0.0625","","Yun-Lei Sun; Hao Jiang; Hui-Fei Zhai; Jin-Ke Bao; Wen-He Jiao; Qian Tao; Chen-Yi Shen; Yue-Wu Zeng; Zhu-An Xu; Guang-Han Cao","Ba2Ti2Fe2As4O: A New Superconductor Containing Fe2As2 Layers and Ti2O Sheets","Journal of the American Chemical Society","2012","134","","12893","12896","10.1021/ja304315e","powder diffraction","","1.54179","CuK_alpha1,K_alpha2","","","","","","","","","","1.4","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118470","11.574","0.009","12.767","0.01","16.533","0.014","90","","90","","90","","2443","3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H32 Fe2 O4 P2 S2 -","- C17 H32 Fe2 O4 P2 S2 -","- C68 H128 Fe8 O16 P8 S8 -","4","1","","Chung-Hung Hsieh; Özlen F. Erdem; Scott D. Harman; Michael L. Singleton; Edward Reijerse; Wolfgang Lubitz; Codrina V. Popescu; Joseph H. Reibenspies; Scott M. Brothers; Michael B. Hall; Marcetta Y. Darensbourg","Structural and Spectroscopic Features of Mixed Valent FeIIFeI Complexes and Factors Related to the Rotated Configuration of Diiron Hydrogenase","Journal of the American Chemical Society","2012","134","","13089","13102","10.1021/ja304866r","","","0.71073","MoKα","","0.0641","0.0427","","","0.1002","0.1181","","","","","","0.954","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118471","14.986","0.005","23.932","0.008","16.726","0.006","90","","110.896","0.004","90","","5604","3","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H32 F6 Fe2 O4 P3 S2 -","- C17 H32 F6 Fe2 O4 P3 S2 -","- C136 H256 F48 Fe16 O32 P24 S16 -","8","1","","Chung-Hung Hsieh; Özlen F. Erdem; Scott D. Harman; Michael L. Singleton; Edward Reijerse; Wolfgang Lubitz; Codrina V. Popescu; Joseph H. Reibenspies; Scott M. Brothers; Michael B. Hall; Marcetta Y. Darensbourg","Structural and Spectroscopic Features of Mixed Valent FeIIFeI Complexes and Factors Related to the Rotated Configuration of Diiron Hydrogenase","Journal of the American Chemical Society","2012","134","","13089","13102","10.1021/ja304866r","","","0.71073","MoKα","","0.0484","0.0284","","","0.061","0.0692","","","","","","1.006","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118472","18.053","0.006","7.261","0.002","21.693","0.007","90","","94.324","0.004","90","","2835.5","1.5","110","2","110","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C16 H32.2 Fe2 N O4.1 P2 S2 -","- C16 H32.2 Fe2 N O4.1 P2 S2 -","- C64 H128.8 Fe8 N4 O16.4 P8 S8 -","4","1","","Chung-Hung Hsieh; Özlen F. Erdem; Scott D. Harman; Michael L. Singleton; Edward Reijerse; Wolfgang Lubitz; Codrina V. Popescu; Joseph H. Reibenspies; Scott M. Brothers; Michael B. Hall; Marcetta Y. Darensbourg","Structural and Spectroscopic Features of Mixed Valent FeIIFeI Complexes and Factors Related to the Rotated Configuration of Diiron Hydrogenase","Journal of the American Chemical Society","2012","134","","13089","13102","10.1021/ja304866r","","","0.71073","MoKα","","0.0748","0.0587","","","0.1524","0.165","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118473","10.847","0.002","11.967","0.002","12.04","0.002","66.104","0.002","84.174","0.002","79.316","0.002","1403.5","0.4","110","2","110","2","","","","","","","","10","P -1","-P 1","2","","","","- C15 H30 B Cl2 F4 Fe2 N O4 P2 S2 -","- C15 H30 B Cl2 F4 Fe2 N O4 P2 S2 -","- C30 H60 B2 Cl4 F8 Fe4 N2 O8 P4 S4 -","2","1","","Chung-Hung Hsieh; Özlen F. Erdem; Scott D. Harman; Michael L. Singleton; Edward Reijerse; Wolfgang Lubitz; Codrina V. Popescu; Joseph H. Reibenspies; Scott M. Brothers; Michael B. Hall; Marcetta Y. Darensbourg","Structural and Spectroscopic Features of Mixed Valent FeIIFeI Complexes and Factors Related to the Rotated Configuration of Diiron Hydrogenase","Journal of the American Chemical Society","2012","134","","13089","13102","10.1021/ja304866r","","","0.71073","MoKα","","0.0479","0.0404","","","0.1146","0.1205","","","","","","1.042","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118474","5.9788","0.0003","15.7539","0.0009","17.1082","0.001","90","","90","","90","","1611.41","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Cl N2 O3 -","- C15 H21 Cl N2 O3 -","- C60 H84 Cl4 N8 O12 -","4","1","","Ana Crespo-Peña; David Monge; Eloísa Martín-Zamora; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Asymmetric Formal Carbonyl-Ene Reactions of Formaldehyde tert-Butyl Hydrazone with α-Keto Esters: Dual Activation by Bis-urea Catalysts","Journal of the American Chemical Society","2012","134","","12912","12915","10.1021/ja305209w","","","0.71073","MoKα","","0.0463","0.0409","","","0.106","0.1117","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118475","12.3447","0.0004","12.3447","0.0004","5.9591","0.0003","90","","90","","120","","786.45","0.05","173","2","173","2","","","","","","","","4","P 31","P 31","144","","","","- C9 H12 O4 S -","- C9 H12 O4 S -","- C27 H36 O12 S3 -","3","1","","Ana Crespo-Peña; David Monge; Eloísa Martín-Zamora; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Asymmetric Formal Carbonyl-Ene Reactions of Formaldehyde tert-Butyl Hydrazone with α-Keto Esters: Dual Activation by Bis-urea Catalysts","Journal of the American Chemical Society","2012","134","","12912","12915","10.1021/ja305209w","","","0.71073","MoKα","","0.036","0.0322","","","0.0808","0.084","","","","","","1.035","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118476","11.6354","0.0009","12.6447","0.001","15.6781","0.0011","71.62","0.004","69.603","0.004","63.746","0.004","1903","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H47 N O8 -","- C44 H47 N O8 -","- C88 H94 N2 O16 -","2","1","","Neil J. Lajkiewicz; Stéphane P. Roche; Baudouin Gerard; John A. Porco","Enantioselective Photocycloaddition of 3-Hydroxyflavones: Total Syntheses and Absolute Configuration Assignments of (+)-Ponapensin and (+)-Elliptifoline","Journal of the American Chemical Society","2012","134","","13108","13113","10.1021/ja305342f","","","0.71073","MoKα","","0.064","0.0435","","","0.1015","0.1135","","","","","","1.017","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118477","24.1823","0.0014","12.2311","0.0007","24.7388","0.0013","90","","90","","90","","7317.1","0.7","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C36 H42 N2 O9 -","- C36 H42 N2 O9 -","- C288 H336 N16 O72 -","8","1","","Neil J. Lajkiewicz; Stéphane P. Roche; Baudouin Gerard; John A. Porco","Enantioselective Photocycloaddition of 3-Hydroxyflavones: Total Syntheses and Absolute Configuration Assignments of (+)-Ponapensin and (+)-Elliptifoline","Journal of the American Chemical Society","2012","134","","13108","13113","10.1021/ja305342f","","","1.54178","CuKα","","0.0641","0.0609","","","0.1647","0.1672","","","","","","1.054","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118478","6.3478","0.0002","12.4544","0.0004","30.1079","0.001","90","","90","","90","","2380.27","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 O8 -","- C28 H28 O8 -","- C112 H112 O32 -","4","1","","Neil J. Lajkiewicz; Stéphane P. Roche; Baudouin Gerard; John A. Porco","Enantioselective Photocycloaddition of 3-Hydroxyflavones: Total Syntheses and Absolute Configuration Assignments of (+)-Ponapensin and (+)-Elliptifoline","Journal of the American Chemical Society","2012","134","","13108","13113","10.1021/ja305342f","","","1.54178","CuKα","","0.0238","0.0237","","","0.0613","0.0614","","","","","","1.036","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118479","12.6455","0.0013","20.498","0.002","23.256","0.002","90","","91.352","0.005","90","","6026.5","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H64 Cl3 N4 O6 P3 -","- C64.96 H63.88 Cl3 N4 O6 P2.99 -","- C259.84 H255.52 Cl12 N16 O24 P11.96 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.0768","0.0535","","","0.1288","0.1404","","","","","","1.1","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118480","18.0377","0.0012","22.4938","0.0014","18.8096","0.0011","90","","110.227","0.003","90","","7161.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H87 Cl5 N5 O6 P2 -","- C77 H87 Cl5 N5 O6 P2 -","- C308 H348 Cl20 N20 O24 P8 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.1488","0.0713","","","0.1676","0.2064","","","","","","1.018","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118481","29.56","0.005","29.302","0.004","29.361","0.005","90","","91.914","0.007","90","","25417","7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67.88 H61.75 Cl4.75 N5 O6 P2 -","- C67.875 H61.75 Cl4.675 N5 O6 P2 -","- C1086 H988 Cl74.8 N80 O96 P32 -","16","2","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.2647","0.1782","","","0.3986","0.456","","","","","","1.048","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118482","16.4602","0.0005","19.4188","0.0006","21.0109","0.0007","90","","111.798","0.002","90","","6235.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H66 Cl5 N4 O6 P3 -","- C66 H66 Cl5 N4 O6 P3 -","- C264 H264 Cl20 N16 O24 P12 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.0758","0.0575","","","0.1556","0.1683","","","","","","1.044","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118483","13.923","0.0011","24.8975","0.0016","16.6359","0.0013","90","","100.953","0.003","90","","5661.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H61 Cl N6 O6 P2 -","- C68 H61 Cl N6 O6 P2 -","- C272 H244 Cl4 N24 O24 P8 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.0846","0.0543","","","0.1304","0.1473","","","","","","1.018","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118484","11.097","0.003","21.896","0.006","22.955","0.006","90","","90","","90","","5578","3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C62 H57 N5 O8 P2 -","- C62 H53 N5 O8 P2 -","- C248 H212 N20 O32 P8 -","4","0.5","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71069","MoKα","","0.2181","0.0891","","","0.2251","0.2689","","","","","","1.004","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118485","10.994","0.002","13.654","0.002","22.642","0.003","88.1","0.003","79.105","0.003","76.97","0.003","3251.5","0.9","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H67 N9 O7 P2 -","- C69 H61 N7 O7 P2 -","- C138 H122 N14 O14 P4 -","2","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71069","MoKα","","0.1889","0.0642","","","0.0989","0.1255","","","","","","0.984","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118486","16.273","0.002","17.888","0.002","19.236","0.002","90","","90","","90","","5599.4","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H56 N6 O6 P2 -","- C64 H56 N6 O6 P2 -","- C256 H224 N24 O24 P8 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71069","MoKα","","0.1939","0.0808","","","0.1945","0.2524","","","","","","0.993","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118487","17.934","0.006","17.453","0.006","20.496","0.007","90","","106.371","0.011","90","","6155","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H62 Cl5 N5 O6 P2 -","- C68 H62 Cl5 N5 O6 P2 -","- C272 H248 Cl20 N20 O24 P8 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.0664","0.0438","","","0.1011","0.1116","","","","","","1.036","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118488","12.8803","0.0006","22.8993","0.001","21.1979","0.0009","90","","106.586","0.001","90","","5992.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67.5 H63.5 Cl3 N5.5 O7 P2 -","- C67.5 H63.5 Cl3 N5.5 O7 P2 -","- C270 H254 Cl12 N22 O28 P8 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.0989","0.0729","","","0.1982","0.2147","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118489","16.7835","0.001","18.0758","0.001","20.0253","0.0012","90","","99.529","0.003","90","","5991.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H64 Cl3 N4 O6 P3 -","- C65 H64 Cl3 N4 O6 P3 -","- C260 H256 Cl12 N16 O24 P12 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.0755","0.0453","","","0.1104","0.1296","","","","","","1.035","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118490","12.0602","0.0011","18.0394","0.0017","7.8387","0.0007","90","","90","","90","","1705.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","YMW-VI-122","toste61","","- C21 H20 Br N O -","- C21 H20 Br N O -","- C84 H80 Br4 N4 O4 -","4","1","","Yi-Ming Wang; Jeffrey Wu; Christina Hoong; Vivek Rauniyar; F. Dean Toste","Enantioselective Halocyclization Using Reagents Tailored for Chiral Anion Phase-Transfer Catalysis","Journal of the American Chemical Society","2012","134","","12928","12931","10.1021/ja305795x","","","0.71073","MoKα","","0.0241","0.0218","","","0.0473","0.0482","","","","","","1.035","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118491","20.3479","0.0011","14.1583","0.0008","17.4224","0.001","90","","90.081","0.001","90","","5019.2","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Selectbro","","","- C39 H67 B3 Br F12 N7 O6 -","- C39 H67 B3 Br F12 N7 O6 -","- C156 H268 B12 Br4 F48 N28 O24 -","4","1","","Yi-Ming Wang; Jeffrey Wu; Christina Hoong; Vivek Rauniyar; F. Dean Toste","Enantioselective Halocyclization Using Reagents Tailored for Chiral Anion Phase-Transfer Catalysis","Journal of the American Chemical Society","2012","134","","12928","12931","10.1021/ja305795x","","","0.71073","MoKα","","0.0756","0.0713","","","0.1855","0.1892","","","","","","1.081","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118492","23.75","0.004","49.017","0.008","13.018","0.002","90","","90","","90","","15155","4","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Me2CB7*DAA*I2.nH2O","Me2CB7*DAA*I2.nH2O","","- C52 H80 I2 N30 O25 -","- C51.992 H59.986 I0.5 N29.998 O15 -","- C415.936 H479.888 I4 N239.984 O120 -","8","1","","Brittany Vinciguerra; Liping Cao; Joe R. Cannon; Peter Y. Zavalij; Catherine Fenselau; Lyle Isaacs","Synthesis and Self-Assembly Processes of Monofunctionalized Cucurbit[7]uril","Journal of the American Chemical Society","2012","134","","13133","13140","10.1021/ja3058502","","","0.71073","MoKα","","0.089","0.0762","","","0.1708","0.1767","","","","","","1","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118493","19.293","0.003","19.293","0.003","20.838","0.003","90","","90","","120","","6717.2","1.8","100","2","100","2","","","","","","","","6","P 65","P 65","170","ZnTTFTB","","","- C41.59 H38.99 N1.9 O12.85 S4 Zn2 -","- C41.592 H38.984 N1.896 O12.848 S4 Zn2 -","- C249.552 H233.904 N11.376 O77.088 S24 Zn12 -","6","1","","Tarun C. Narayan; Tomoyo Miyakai; Shu Seki; Mircea Dincă","High Charge Mobility in a Tetrathiafulvalene-Based Microporous Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","12932","12935","10.1021/ja3059827","","","0.71073","MoKα","","0.0227","0.0216","","","0.0497","0.0503","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118494","7.61622","0.00015","12.3664","0.0003","13.3676","0.0002","75.4211","0.0017","89.7585","0.0015","75.0582","0.0018","1174.81","0.04","100","1","100","1","","","","","","","","5","P 1","P 1","1","","","","- C25 H28 Cl N O6 -","- C25 H28 Cl N O6 -","- C50 H56 Cl2 N2 O12 -","2","2","","Kim Søholm Halskov; Tore Kiilerich Johansen; Rebecca L. Davis; Marianne Steurer; Frank Jensen; Karl Anker Jørgensen","Cross-trienamines in Asymmetric Organocatalysis","Journal of the American Chemical Society","2012","134","","12943","12946","10.1021/ja3068269","","","0.71073","MoKα","","0.0678","0.0607","","","0.1717","0.1774","","","","","","1.386","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118495","8.39375","0.00013","9.36061","0.00012","21.2883","0.0004","90","","97.9774","0.0015","90","","1656.45","0.05","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 O6 S2 Si -","- C34 H40 O6 S2 Si -","- C68 H80 O12 S4 Si2 -","2","1","","Kim Søholm Halskov; Tore Kiilerich Johansen; Rebecca L. Davis; Marianne Steurer; Frank Jensen; Karl Anker Jørgensen","Cross-trienamines in Asymmetric Organocatalysis","Journal of the American Chemical Society","2012","134","","12943","12946","10.1021/ja3068269","","","0.7107","MoKα","","0.054","0.0418","","","0.0812","0.0871","","","","","","1.047","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118496","10.9824","0.0004","15.9803","0.0007","18.9154","0.0008","90","","90","","90","","3319.7","0.2","100","1","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H41 Cl N2 O5 S Si -","- C33 H41 Cl N2 O5 S Si -","- C132 H164 Cl4 N8 O20 S4 Si4 -","4","1","","Kim Søholm Halskov; Tore Kiilerich Johansen; Rebecca L. Davis; Marianne Steurer; Frank Jensen; Karl Anker Jørgensen","Cross-trienamines in Asymmetric Organocatalysis","Journal of the American Chemical Society","2012","134","","12943","12946","10.1021/ja3068269","","","0.71073","MoKα","","0.0305","0.0281","","","0.0707","0.0722","","","","","","1.04","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118497","30.3","0.006","57.1","0.011","38.2","0.008","90","","109.3","0.03","90","","62377","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Br_exchanged_Au102","","","- C308 H488 Au102 Br O99 S44 -","- C305.82 Au102 Br2.18 O83.64 S44 -","- C1223.28 Au408 Br8.72 O334.56 S176 -","4","0.5","","Christine L. Heinecke; Thomas W. Ni; Sami Malola; Ville Mäkinen; O. Andrea Wong; Hannu Häkkinen; Christopher J. Ackerson","Structural and Theoretical Basis for Ligand Exchange on Thiolate Monolayer Protected Gold Nanoclusters","Journal of the American Chemical Society","2012","134","","13316","13322","10.1021/ja3032339","","","0.827","Synchrotron","","0.1472","0.084","","","0.2596","0.3042","","","","","","1.08","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118498","19.8802","0.0012","6.2307","0.0004","12.7748","0.0008","90","","95.433","0.004","90","","1575.27","0.17","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H16 Br N O4 -","- C17 H16 Br N O4 -","- C68 H64 Br4 N4 O16 -","4","1","","Carolyn A. Leverett; Vikram C. Purohit; Alex G. Johnson; Rebecca L. Davis; Dean J. Tantillo; Daniel Romo","Dyotropic Rearrangements of Fused Tricyclic β-Lactones: Application to the Synthesis of (-)-Curcumanolide A and (-)-Curcumalactone","Journal of the American Chemical Society","2012","134","","13348","13356","10.1021/ja303414a","","","1.54178","CuKα","","0.0316","0.0302","","","0.074","0.0747","","","","","","1.009","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118499","7.9","0.003","6.278","0.002","26.961","0.008","90","","91.79","0.02","90","","1336.5","0.8","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Carolyn A. Leverett; Vikram C. Purohit; Alex G. Johnson; Rebecca L. Davis; Dean J. Tantillo; Daniel Romo","Dyotropic Rearrangements of Fused Tricyclic β-Lactones: Application to the Synthesis of (-)-Curcumanolide A and (-)-Curcumalactone","Journal of the American Chemical Society","2012","134","","13348","13356","10.1021/ja303414a","","","1.54178","CuKα","","0.1028","0.0818","","","0.1951","0.212","","","","","","1.019","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118500","7.886","0.003","14.398","0.003","7.076","0.003","90.58","0.02","117.22","0.02","80.58","0.02","702.9","0.4","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 F6 O4 S8 Sb -","- C20 H20 F6 O4 S8 Sb -","- C20 H20 F6 O4 S8 Sb -","1","0.5","","Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori","Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb)","Journal of the American Chemical Society","2012","134","","13330","13340","10.1021/ja303435n","","","0.71069","MoKα","","0.0857","0.0648","","","0.1885","0.2065","","","","","","1.061","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118501","13.462","0.012","8.271","0.007","11.139","0.01","90","","110.853","0.015","90","","1159","1.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 O2 S4 -","- C10 H10 O2 S4 -","- C40 H40 O8 S16 -","4","1","","Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori","Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb)","Journal of the American Chemical Society","2012","134","","13330","13340","10.1021/ja303435n","","","0.71075","MoKα","","0.0602","0.0503","","","0.1114","0.1179","","","","","","1.143","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118502","7.657","0.002","13.517","0.003","7.117","0.001","99.45","0.02","102.23","0.02","74.82","0.02","690.1","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 F6 O4 P S8 -","- C20 H20 F6 O4 P S8 -","- C20 H20 F6 O4 P S8 -","1","0.5","","Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori","Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb)","Journal of the American Chemical Society","2012","134","","13330","13340","10.1021/ja303435n","","","0.71069","MoKα","","0.1337","0.057","","","0.1532","0.1892","","","","","","1.003","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118503","7.536","0.005","13.993","0.01","6.899","0.005","89.054","0.01","114.137","0.009","81.358","0.008","653.9","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 F6 O4 P S8 -","- C20 H20 F6 O4 P S8 -","- C20 H20 F6 O4 P S8 -","1","0.5","","Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori","Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb)","Journal of the American Chemical Society","2012","134","","13330","13340","10.1021/ja303435n","","","0.71073","MoKα","","0.125","0.07","","","0.1796","0.2244","","","","","","1.013","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118504","7.6568","0.0018","13.669","0.003","7.135","0.003","99.32","0.03","103.38","0.03","74.644","0.017","696.5","0.4","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 As F6 O4 S8 -","- C20 H20 As F6 O4 S8 -","- C20 H20 As F6 O4 S8 -","1","0.5","","Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori","Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb)","Journal of the American Chemical Society","2012","134","","13330","13340","10.1021/ja303435n","","","0.71069","MoKα","","0.1413","0.0525","","","0.1227","0.1523","","","","","","0.985","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118505","7.573","0.009","14.167","0.016","6.91","0.005","88.68","0.07","114.23","0.06","81.31","0.09","665.3","1.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 As F6 O4 S8 -","- C20 H20 As F6 O4 S8 -","- C20 H20 As F6 O4 S8 -","1","0.5","","Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori","Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb)","Journal of the American Chemical Society","2012","134","","13330","13340","10.1021/ja303435n","","","0.71069","MoKα","","0.1655","0.1314","","","0.3233","0.3646","","","","","","1.077","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118506","7.488","0.002","14.543","0.003","7.182","0.005","94.22","0.03","110.72","0.03","78.956","0.019","718","0.6","373","","373","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 F6 O4 S8 Sb -","- C20 H20 F6 O4 S8 Sb -","- C20 H20 F6 O4 S8 Sb -","1","0.5","","Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori","Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb)","Journal of the American Chemical Society","2012","134","","13330","13340","10.1021/ja303435n","","","0.71069","MoKα","","0.1639","0.1164","","","0.2924","0.3462","","","","","","1.278","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118507","10.006","0.002","10.241","0.002","10.658","0.002","78.102","0.008","68.184","0.007","81.527","0.009","989.1","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H11 Mn N3 O6 -","- C18 H11 Mn N3 O6 -","- C36 H22 Mn2 N6 O12 -","2","1","","Tomohiro Fukushima; Satoshi Horike; Hirokazu Kobayashi; Masahiko Tsujimoto; Seiji Isoda; Maw Lin Foo; Yoshiki Kubota; Masaki Takata; Susumu Kitagawa","Modular Design of Domain Assembly in Porous Coordination Polymer Crystals via Reactivity-Directed Crystallization Process","Journal of the American Chemical Society","2012","134","","13341","13347","10.1021/ja303588m","","","0.71075","MoKα","","0.0918","0.0788","","","0.2865","0.2957","","","","","","1.061","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118508","19.6005","0.0008","18.3272","0.0007","16.5333","0.0006","90","","90","","90","","5939.1","0.4","303","","303","","","","","","","","","3","I m m m","-I 2 2","71","Zeolite ITQ-49","","","- Ge0.1755 O2 Si0.8245 -","- Ge0.175348 O2 Si0.824652 -","- Ge16.132 O184 Si75.868 -","92","5.75","","Manuel Hernández-Rodríguez; Jose L. Jordá; Fernando Rey; Avelino Corma","Synthesis and Structure Determination of a New Microporous Zeolite with Large Cavities Connected by Small Pores","Journal of the American Chemical Society","2012","134","","13232","13235","10.1021/ja306013k","powder diffraction","","1.5418","CuKα","","","","","","","","","5.7374","","","","","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118509","23.485","0.005","23.485","0.005","8.995","0.005","90","","90","","90","","4961","3","100","","100","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C25 H24 Cl2 Cu N4 O4 -","- C25 Cl2 Cu N4 O4 -","- C100 Cl8 Cu4 N16 O16 -","4","0.5","","Akihito Shigematsu; Teppei Yamada; Hiroshi Kitagawa","Selective Separation of Water, Methanol, and Ethanol by a Porous Coordination Polymer Built with a Flexible Tetrahedral Ligand","Journal of the American Chemical Society","2012","134","","13145","13147","10.1021/ja306401j","","","0.71069","MoKα","","","0.0575","","","","0.1672","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118510","11.1241","0.0004","9.156","0.0003","17.8862","0.0006","90","","103.421","0.0015","90","","1772","0.11","123","1","123","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Br Cl3 N O4 S -","- C12 H15 Br Cl3 N O4 S -","- C48 H60 Br4 Cl12 N4 O16 S4 -","4","1","","Anike Nörder; Sarah A. Warren; Eberhardt Herdtweck; Stefan M. Huber; Thorsten Bach","Diastereotopos-Differentiation in the Rh-Catalyzed Amination of Benzylic Methylene Groups in the α-Position to a Stereogenic Center","Journal of the American Chemical Society","2012","134","","13524","13531","10.1021/ja3066682","","","0.71073","MoKα","","0.0263","0.0252","","","0.0669","0.0679","","","","","","1.049","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118511","18.4231","0.0005","9.1321","0.0003","10.0716","0.0003","90","","90","","90","","1694.46","0.09","123","1","123","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H15 Cl3 N2 O4 S -","- C14 H15 Cl3 N2 O4 S -","- C56 H60 Cl12 N8 O16 S4 -","4","1","","Anike Nörder; Sarah A. Warren; Eberhardt Herdtweck; Stefan M. Huber; Thorsten Bach","Diastereotopos-Differentiation in the Rh-Catalyzed Amination of Benzylic Methylene Groups in the α-Position to a Stereogenic Center","Journal of the American Chemical Society","2012","134","","13524","13531","10.1021/ja3066682","","","0.71073","MoKα","","0.0154","0.0154","","","0.0412","0.0412","","","","","","1.073","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118512","6.0092","0.0002","10.834","0.0003","14.5195","0.0004","88.5906","0.0014","78.7501","0.0011","80.8585","0.0012","915.31","0.05","173","1","173","1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Cl3 N O6 S -","- C15 H18 Cl3 N O6 S -","- C30 H36 Cl6 N2 O12 S2 -","2","1","","Anike Nörder; Sarah A. Warren; Eberhardt Herdtweck; Stefan M. Huber; Thorsten Bach","Diastereotopos-Differentiation in the Rh-Catalyzed Amination of Benzylic Methylene Groups in the α-Position to a Stereogenic Center","Journal of the American Chemical Society","2012","134","","13524","13531","10.1021/ja3066682","","","0.71073","MoKα","","0.0305","0.0268","","","0.0686","0.0725","","","","","","1.02","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118513","10.2165","0.0003","18.274","0.0006","10.12","0.0003","90","","111.332","0.0012","90","","1759.92","0.09","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cl3 N2 O4 S -","- C14 H15 Cl3 N2 O4 S -","- C56 H60 Cl12 N8 O16 S4 -","4","1","","Anike Nörder; Sarah A. Warren; Eberhardt Herdtweck; Stefan M. Huber; Thorsten Bach","Diastereotopos-Differentiation in the Rh-Catalyzed Amination of Benzylic Methylene Groups in the α-Position to a Stereogenic Center","Journal of the American Chemical Society","2012","134","","13524","13531","10.1021/ja3066682","","","0.71073","MoKα","","0.0265","0.0254","","","0.0693","0.0702","","","","","","1.076","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118514","7.6787","0.0002","16.934","0.0004","18.3591","0.0004","90","","92.984","0.002","90","","2384.02","0.1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 N5 S2 -","- C28 H19 N5 S2 -","- C112 H76 N20 S8 -","4","1","","Yi-Hong Chen; Li-Yen Lin; Chih-Wei Lu; Francis Lin; Zheng-Yu Huang; Hao-Wu Lin; Po-Han Wang; Yi-Hung Liu; Ken-Tsung Wong; Jianguo Wen; Dean J. Miller; Seth B. Darling","Vacuum-Deposited Small-Molecule Organic Solar Cells with High Power Conversion Efficiencies by Judicious Molecular Design and Device Optimization","Journal of the American Chemical Society","2012","134","","13616","13623","10.1021/ja301872s","","","1.54178","CuKα","","0.0473","0.0429","","","0.1272","0.1351","","","","","","1.132","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118515","8.9955","0.0004","13.0986","0.0006","20.8888","0.0009","90","","93.997","0.004","90","","2455.31","0.19","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 N5 S -","- C30 H21 N5 S -","- C120 H84 N20 S4 -","4","1","","Yi-Hong Chen; Li-Yen Lin; Chih-Wei Lu; Francis Lin; Zheng-Yu Huang; Hao-Wu Lin; Po-Han Wang; Yi-Hung Liu; Ken-Tsung Wong; Jianguo Wen; Dean J. Miller; Seth B. Darling","Vacuum-Deposited Small-Molecule Organic Solar Cells with High Power Conversion Efficiencies by Judicious Molecular Design and Device Optimization","Journal of the American Chemical Society","2012","134","","13616","13623","10.1021/ja301872s","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118516","11.749","0.003","23.17","0.005","27.499","0.005","90","","90","","90","","7486","3","153","","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 Cl2 Fe N3 O2 -","- C36 H34 Cl2 Fe N3 O2 -","- C288 H272 Cl16 Fe8 N24 O16 -","8","2","","Takashi Niwa; Masahisa Nakada","A Non-Heme Iron(III) Complex with Porphyrin-like Properties That Catalyzes Asymmetric Epoxidation","Journal of the American Chemical Society","2012","134","","13538","13541","10.1021/ja304219s","","","0.71075","MoKα","","","0.0766","","","","0.2484","","","","","","1.069","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118517","7.0393","0.0003","10.7218","0.0004","17.8586","0.0007","90","","90","","90","","1347.86","0.09","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br O4 -","- C14 H13 Br O4 -","- C56 H52 Br4 O16 -","4","1","","David M. Rubush; Michelle A. Morges; Barbara J. Rose; Douglas H. Thamm; Tomislav Rovis","An Asymmetric Synthesis of 1,2,4-Trioxane Anticancer Agents via Desymmetrization of Peroxyquinols through a Brønsted Acid Catalysis Cascade","Journal of the American Chemical Society","2012","134","","13554","13557","10.1021/ja3052427","","","0.71073","MoKα","","0.0493","0.0318","","","0.0548","0.0709","","","","","","1.096","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118518","8.9883","0.0008","13.3229","0.0012","21.141","0.002","89.603","0.002","88.668","0.002","85.344","0.002","2522.6","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C67 H68 O4 -","- C67 H68 O4 -","- C134 H136 O8 -","2","1","","Jiye Luo; Xiaomin Xu; Renxin Mao; Qian Miao","Curved Polycyclic Aromatic Molecules That Are π-Isoelectronic to Hexabenzocoronene","Journal of the American Chemical Society","2012","134","","13796","13803","10.1021/ja3054354","","","0.71073","MoKα","","0.1183","0.078","","","0.2058","0.2416","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118519","9.1951","0.0015","12.2939","0.0019","30.429","0.005","90","","98.886","0.003","90","","3398.5","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H32 Cl2 O4 -","- C47 H32 Cl2 O4 -","- C188 H128 Cl8 O16 -","4","1","","Jiye Luo; Xiaomin Xu; Renxin Mao; Qian Miao","Curved Polycyclic Aromatic Molecules That Are π-Isoelectronic to Hexabenzocoronene","Journal of the American Chemical Society","2012","134","","13796","13803","10.1021/ja3054354","","","0.71073","MoKα","","0.2733","0.1001","","","0.2224","0.3112","","","","","","0.963","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118520","10.497","0.003","18.26","0.004","17.011","0.004","90","","107.278","0.003","90","","3113.5","1.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H104 Ni2 O4 P4 -","- C63 H103 Ni2 O4 P4 -","- C126 H206 Ni4 O8 P8 -","2","0.5","","Kazuma Amaike; Kei Muto; Junichiro Yamaguchi; Kenichiro Itami","Decarbonylative C-H Coupling of Azoles and Aryl Esters: Unprecedented Nickel Catalysis and Application to the Synthesis of Muscoride A","Journal of the American Chemical Society","2012","134","","13573","13576","10.1021/ja306062c","","","0.7107","MoKα","","0.081","0.0672","","","0.1448","0.1539","","","","","","1.138","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118521","9.5549","0.0006","5.8171","0.0004","15.2998","0.001","90","","90","","90","","850.39","0.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H4 N2 S -","- C3 H4 N2 S -","- C24 H32 N16 S8 -","8","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0255","0.0222","","","0.0586","0.061","","","","","","1.064","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118522","16.434","0.005","11.857","0.003","4.9575","0.0014","90","","90","","90","","966","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H10 N6 O S -","- C8 H10 N6 O S -","- C32 H40 N24 O4 S4 -","4","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0382","0.0304","","","0.0704","0.0738","","","","","","1.037","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118523","7.6821","0.0017","7.8451","0.0018","9.734","0.002","74.717","0.003","85.85","0.003","89.369","0.003","564.4","0.2","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 N6 O S -","- C9 H12 N6 O S -","- C18 H24 N12 O2 S2 -","2","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","","","","","","","","","","","","","","","","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118524","8.747","0.0011","13.4408","0.0017","9.6495","0.0012","90","","91.723","0.002","90","","1133.9","0.2","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 N6 O S -","- C9 H12 N6 O S -","- C36 H48 N24 O4 S4 -","4","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","","","","","","","","","","","","","","","","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118525","8.8428","0.0016","17.383","0.003","16.123","0.003","90","","90.286","0.003","90","","2478.3","0.8","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N6 O S -","- C10 H14 N6 O S -","- C80 H112 N48 O8 S8 -","8","2","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","","","","","","","","","","","","","","","","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118526","7.6821","0.0002","23.6828","0.0006","9.2228","0.0002","90","","104.395","0.002","90","","1625.26","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H19.67 Cl N6 O3.33 S -","- C11 H19.6667 Cl N6 O3.33333 S -","- C44 H78.6666 Cl4 N24 O13.3333 S4 -","4","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0342","0.0274","","","0.068","0.0714","","","","","","1.06","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118527","8.0766","0.0006","8.8227","0.0007","32.654","0.003","90","","90","","90","","2326.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N6 O2.5 S -","- C9 H13 N6 O2.5 S -","- C72 H104 N48 O20 S8 -","8","2","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.03","0.0278","","","0.0683","0.0698","","","","","","1.039","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118528","8.404","0.0009","13.9418","0.0016","11.3521","0.0013","90","","109.896","0.001","90","","1250.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N6 O3 S -","- C9 H14 N6 O3 S -","- C36 H56 N24 O12 S4 -","4","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0316","0.0293","","","0.0787","0.0809","","","","","","1.042","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118529","9.732","0.003","15.359","0.004","17.336","0.004","90","","93.691","0.004","90","","2585.9","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N12 O7 S2 -","- C20 H30 N12 O7 S2 -","- C80 H120 N48 O28 S8 -","4","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0879","0.0464","","","0.091","0.1062","","","","","","1.042","","","","has coordinates,has disorder","210883","2020-10-21","18:00:00",""
"4118530","8.7","0.0003","20.0767","0.0008","23.68","0.001","97.662","0.002","91.72","0.002","90.016","0.002","4097.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H16 N6 O4 S -","- C10 H16 N6 O4 S -","- C120 H192 N72 O48 S12 -","12","6","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0692","0.0541","","","0.1501","0.1587","","","","","","1.062","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118531","4.9633","0.0009","10.4159","0.0019","19.941","0.004","90","","93.481","0.003","90","","1029","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N4 O S2 -","- C8 H10 N4 O S2 -","- C32 H40 N16 O4 S8 -","4","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0398","0.0295","","","0.0691","0.074","","","","","","1.042","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118532","6.9855","0.0002","9.2101","0.0003","18.4318","0.0006","90","","90","","90","","1185.85","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N4 O2 S2 -","- C9 H12 N4 O2 S2 -","- C36 H48 N16 O8 S8 -","4","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0232","0.0222","","","0.0574","0.0582","","","","","","1.041","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118533","29.688","0.005","29.688","0.005","30.488","0.005","90","0.005","90","0.005","120","0.005","23271","7","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- H97 K Na2 Nb24 O110 -","- K Na2.00667 Nb24 O82 -","- K6 Na12.04 Nb144 O492 -","6","0.5","","Peng Huang; Chao Qin; Zhong-Min Su; Yan Xing; Xin-Long Wang; Kui-Zhan Shao; Ya-Qian Lan; En-Bo Wang","Self-Assembly and Photocatalytic Properties of Polyoxoniobates: {Nb24O72}, {Nb32O96}, and {K12Nb96O288} Clusters","Journal of the American Chemical Society","2012","134","","14004","14010","10.1021/ja303723u","","","0.71073","MoKα","","0.06","0.0435","","","0.1223","0.1289","","","","","","1.093","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118534","12.844","0.005","17.578","0.005","19.973","0.005","84.513","0.005","73.271","0.005","81.818","0.005","4267","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H188 K2 Na2 Nb32 O176 -","- K2 Na2 Nb32 O116 -","- K2 Na2 Nb32 O116 -","1","0.5","","Peng Huang; Chao Qin; Zhong-Min Su; Yan Xing; Xin-Long Wang; Kui-Zhan Shao; Ya-Qian Lan; En-Bo Wang","Self-Assembly and Photocatalytic Properties of Polyoxoniobates: {Nb24O72}, {Nb32O96}, and {K12Nb96O288} Clusters","Journal of the American Chemical Society","2012","134","","14004","14010","10.1021/ja303723u","","","0.71073","MoKα","","0.0768","0.048","","","0.1147","0.1268","","","","","","0.891","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118535","39.2527","0.0014","39.2527","0.0014","106.905","0.007","90","","90","","120","","142649","12","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- H298 K12 Nb96 O395 -","- K12.02 Nb96 O300 -","- K144.24 Nb1152 O3600 -","12","0.666667","","Peng Huang; Chao Qin; Zhong-Min Su; Yan Xing; Xin-Long Wang; Kui-Zhan Shao; Ya-Qian Lan; En-Bo Wang","Self-Assembly and Photocatalytic Properties of Polyoxoniobates: {Nb24O72}, {Nb32O96}, and {K12Nb96O288} Clusters","Journal of the American Chemical Society","2012","134","","14004","14010","10.1021/ja303723u","","","0.71073","MoKα","","0.132","0.056","","","0.0921","0.0999","","","","","","1.035","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118536","12.5173","0.0002","19.315","0.0005","16.6447","0.0004","90","","109.649","0.0018","90","","3789.89","0.15","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H61 Cl0.5 I P2 Pt -","- C38 H61 Cl0.5 I P2 Pt -","- C152 H244 Cl2 I4 P8 Pt4 -","4","1","","Ina S. Dubinsky-Davidchik; Shay Potash; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Electrophilic Fluorination of Organoplatinum(II) Iodides: Iodine and Platinum Atoms as Competing Fluorination Sites","Journal of the American Chemical Society","2012","134","","14027","14032","10.1021/ja3039272","","","0.71073","MoKα","","0.0641","0.0456","","","0.0951","0.1027","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118537","16.286","0.0003","8.9776","0.0002","24.3315","0.0007","90","","94.1696","0.0008","90","","3548.07","0.14","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H52 Cl2 F3 I P2 Pt -","- C33 H52 Cl2 F3 I P2 Pt -","- C132 H208 Cl8 F12 I4 P8 Pt4 -","4","1","","Ina S. Dubinsky-Davidchik; Shay Potash; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Electrophilic Fluorination of Organoplatinum(II) Iodides: Iodine and Platinum Atoms as Competing Fluorination Sites","Journal of the American Chemical Society","2012","134","","14027","14032","10.1021/ja3039272","","","0.71073","MoKα","","0.056","0.046","","","0.0872","0.0905","","","","","","1.139","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118538","14.8107","0.0003","20.4279","0.0003","22.5012","0.0005","90","","90","","90","","6807.8","0.2","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H48 F6 P2 Pt -","- C32 H48 F6 P2 Pt -","- C256 H384 F48 P16 Pt8 -","8","1","","Ina S. Dubinsky-Davidchik; Shay Potash; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Electrophilic Fluorination of Organoplatinum(II) Iodides: Iodine and Platinum Atoms as Competing Fluorination Sites","Journal of the American Chemical Society","2012","134","","14027","14032","10.1021/ja3039272","","","0.71073","MoKα","","0.091","0.0507","","","0.0985","0.1099","","","","","","0.982","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118539","16.2512","0.0002","17.3402","0.0002","23.8768","0.0003","90","","90","","90","","6728.46","0.14","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H48 F5 I P2 Pt -","- C32 H48 F5 I P2 Pt -","- C256 H384 F40 I8 P16 Pt8 -","8","1","","Ina S. Dubinsky-Davidchik; Shay Potash; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Electrophilic Fluorination of Organoplatinum(II) Iodides: Iodine and Platinum Atoms as Competing Fluorination Sites","Journal of the American Chemical Society","2012","134","","14027","14032","10.1021/ja3039272","","","0.71073","MoKα","","0.0466","0.0334","","","0.0772","0.0825","","","","","","1.074","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118540","13.319","0.003","4.0703","0.0008","15.179","0.003","90","","115.49","0.03","90","","742.8","0.3","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Manganese Dibismuth Selenide (1/2/4)","","- Bi2 Mn Se4 -","- Bi2.0002 Mn0.9998 Se4 -","- Bi8.0008 Mn3.9992 Se16 -","4","0.5","","Kulugammana G. S. Ranmohotti; Honore Djieutedjeu; Pierre F. P. Poudeu","Chemical Manipulation of Magnetic Ordering in Mn1-xSnxBi2Se4 Solid-Solutions","Journal of the American Chemical Society","2012","134","","14033","14042","10.1021/ja303952w","","","0.71073","MoKα","","0.0392","0.0311","","","0.0712","0.0733","","","","","","1.104","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118541","13.384","0.003","4.0925","0.0008","15.224","0.003","90","","115.54","0.03","90","","752.4","0.3","298","2","298","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Manganese Dibismuth Selenide (1/2/4)","","- Bi4 Mn2 Se8 -","- Bi4 Mn2 Se8 -","- Bi8 Mn4 Se16 -","2","0.25","","Kulugammana G. S. Ranmohotti; Honore Djieutedjeu; Pierre F. P. Poudeu","Chemical Manipulation of Magnetic Ordering in Mn1-xSnxBi2Se4 Solid-Solutions","Journal of the American Chemical Society","2012","134","","14033","14042","10.1021/ja303952w","","","0.71073","MoKα","","0.0312","0.0252","","","0.0576","0.0597","","","","","","1.115","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118542","13.493","0.006","4.126","0.0018","15.322","0.007","90","","115.52","0.008","90","","769.8","0.6","298","2","298","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Manganese Tin Bismuth Selenide (1/3/8/16)","","- Bi8 Mn Se16 Sn3 -","- Bi8 Mn1.04 Se16 Sn2.96 -","- Bi8 Mn1.04 Se16 Sn2.96 -","1","0.125","","Kulugammana G. S. Ranmohotti; Honore Djieutedjeu; Pierre F. P. Poudeu","Chemical Manipulation of Magnetic Ordering in Mn1-xSnxBi2Se4 Solid-Solutions","Journal of the American Chemical Society","2012","134","","14033","14042","10.1021/ja303952w","","","0.71073","MoKα","","0.0499","0.0497","","","0.1044","0.1045","","","","","","1.356","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118543","12.0233","0.0011","12.6775","0.0012","35.975","0.004","90","","90","","90","","5483.5","0.9","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","RG3009","","","- C36 H52 F12 N2 O10 Pd3 -","- C36 H52 F12 N2 O10 Pd3 -","- C144 H208 F48 N8 O40 Pd12 -","4","1","","Ramesh Giri; Yu Lan; Peng Liu; K. N. Houk; Jin-Quan Yu","Understanding Reactivity and Stereoselectivity in Palladium-Catalyzed Diastereoselective sp3 C-H Bond Activation: Intermediate Characterization and Computational Studies","Journal of the American Chemical Society","2012","134","","14118","14126","10.1021/ja304643e","","","0.71073","MoKα","","0.0791","0.053","","","0.1517","0.1687","","","","","","1.025","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118544","8.136","0.002","11.03","0.003","17.118","0.004","103.888","0.003","90.285","0.003","101.735","0.003","1457.8","0.6","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H37 B N2 O2 Pt -","- C33 H37 B N2 O2 Pt -","- C66 H74 B2 N4 O4 Pt2 -","2","1","","Zachary M. Hudson; Christina Sun; Michael G. Helander; Yi-Lu Chang; Zheng-Hong Lu; Suning Wang","Highly Efficient Blue Phosphorescence from Triarylboron-Functionalized Platinum(II) Complexes of N-Heterocyclic Carbenes","Journal of the American Chemical Society","2012","134","","13930","13933","10.1021/ja3048656","","","0.71073","MoKα","","0.0322","0.0272","","","0.0628","0.0653","","","","","","1.022","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118545","17.45","0.003","12.563","0.002","13.497","0.002","90","","97.853","0.003","90","","2931.1","0.8","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 B N2 O2 Pt -","- C33 H37 B N2 O2 Pt -","- C132 H148 B4 N8 O8 Pt4 -","4","1","","Zachary M. Hudson; Christina Sun; Michael G. Helander; Yi-Lu Chang; Zheng-Hong Lu; Suning Wang","Highly Efficient Blue Phosphorescence from Triarylboron-Functionalized Platinum(II) Complexes of N-Heterocyclic Carbenes","Journal of the American Chemical Society","2012","134","","13930","13933","10.1021/ja3048656","","","0.71073","MoKα","","0.175","0.0593","","","0.072","0.1","","","","","","0.938","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118546","25.3373","0.0011","14.8267","0.0011","20.4311","0.0011","90","","97.05","0.002","90","","7617.3","0.8","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@C82.NiOEP.2toluene 0.6667/0.3333 C3v(7)/Cs(6)","","","- C132 H60 N4 Ni Sm -","- C132 H60 N4 Ni Sm0.9 -","- C528 H240 N16 Ni4 Sm3.6 -","4","0.5","","Hua Yang; Hongxiao Jin; Xinqing Wang; Ziyang Liu; Meilan Yu; Fukun Zhao; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","X-ray Crystallographic Characterization of New Soluble Endohedral Fullerenes Utilizing the Popular C82 Bucky Cage. Isolation and Structural Characterization of Sm@C3v(7)-C82, Sm@Cs(6)-C82, and Sm@C2(5)-C82","Journal of the American Chemical Society","2012","134","","14127","14136","10.1021/ja304867j","","","0.71073","MoKα","","0.0836","0.069","","","0.1607","0.1688","","","","","","1.1","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118547","25.3364","0.0004","15.0718","0.0002","19.7948","0.0003","90","","94.208","0.004","90","","7538.6","0.2","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@C2(5)-C82.Ni(OEP).2benzene","","","- C130 H56 N4 Ni Sm -","- C130.09 H56 N4 Ni Sm -","- C520.36 H224 N16 Ni4 Sm4 -","4","0.5","","Hua Yang; Hongxiao Jin; Xinqing Wang; Ziyang Liu; Meilan Yu; Fukun Zhao; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","X-ray Crystallographic Characterization of New Soluble Endohedral Fullerenes Utilizing the Popular C82 Bucky Cage. Isolation and Structural Characterization of Sm@C3v(7)-C82, Sm@Cs(6)-C82, and Sm@C2(5)-C82","Journal of the American Chemical Society","2012","134","","14127","14136","10.1021/ja304867j","","","0.71073","MoKα","","0.0821","0.0678","","","0.1875","0.2036","","","","","","1.032","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118548","25.2726","0.0008","14.9311","0.0005","20.3162","0.0006","90","","96.892","0.002","90","","7610.9","0.4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@C3v(7)C82.NiOEP.2toluene","","","- C132 H60 N4 Ni Sm -","- C132 H60 N4 Ni Sm -","- C528 H240 N16 Ni4 Sm4 -","4","0.5","","Hua Yang; Hongxiao Jin; Xinqing Wang; Ziyang Liu; Meilan Yu; Fukun Zhao; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","X-ray Crystallographic Characterization of New Soluble Endohedral Fullerenes Utilizing the Popular C82 Bucky Cage. Isolation and Structural Characterization of Sm@C3v(7)-C82, Sm@Cs(6)-C82, and Sm@C2(5)-C82","Journal of the American Chemical Society","2012","134","","14127","14136","10.1021/ja304867j","","","0.7749","synchrotron","","0.0573","0.0495","","","0.1226","0.1276","","","","","","1.041","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118549","11.0129","0.0007","11.173","0.0007","16.7699","0.001","77.832","0.003","79.183","0.003","61.185","0.002","1758.42","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[SiP3]Co(H2)","","","- C36 H54 Co P3 Si -","- C36 H54 Co P3 Si -","- C72 H108 Co2 P6 Si2 -","2","1","","Daniel L. M. Suess; Charlene Tsay; Jonas C. Peters","Dihydrogen Binding to Isostructural S=1/2 and S= 0 Cobalt Complexes","Journal of the American Chemical Society","2012","134","","14158","14164","10.1021/ja305248f","","","0.71073","MoKα","","0.0548","0.035","","","0.0902","0.0983","","","","","","1.022","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118550","10.894","0.0003","11.4465","0.0003","16.0319","0.0005","91.218","0.001","95.168","0.001","118.102","0.001","1751.68","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(TPB)Co(N2)","","","- C36 H54 B Co N2 P3 -","- C36 H54 B Co N2 P3 -","- C72 H108 B2 Co2 N4 P6 -","2","1","","Daniel L. M. Suess; Charlene Tsay; Jonas C. Peters","Dihydrogen Binding to Isostructural S=1/2 and S= 0 Cobalt Complexes","Journal of the American Chemical Society","2012","134","","14158","14164","10.1021/ja305248f","","","0.71073","MoKα","","0.0573","0.0417","","","0.1034","0.1138","","","","","","1.109","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118551","10.8535","0.0005","11.216","0.0005","16.7367","0.0008","91.474","0.002","101.653","0.002","118.93","0.002","1728.21","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(TPB)Co(H2)","","","- C36 H54 B Co P3 -","- C36 H54 B Co P3 -","- C72 H108 B2 Co2 P6 -","2","1","","Daniel L. M. Suess; Charlene Tsay; Jonas C. Peters","Dihydrogen Binding to Isostructural S=1/2 and S= 0 Cobalt Complexes","Journal of the American Chemical Society","2012","134","","14158","14164","10.1021/ja305248f","","","0.71073","MoKα","","0.0486","0.0328","","","0.086","0.0932","","","","","","1.069","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118552","10.8175","0.0006","11.5615","0.0007","15.9277","0.0009","91.488","0.003","97.701","0.003","117.196","0.002","1747.2","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(TPB)CoBr","","","- C36 H54 B Br Co P3 -","- C36 H54 B Br Co P3 -","- C72 H108 B2 Br2 Co2 P6 -","2","1","","Daniel L. M. Suess; Charlene Tsay; Jonas C. Peters","Dihydrogen Binding to Isostructural S=1/2 and S= 0 Cobalt Complexes","Journal of the American Chemical Society","2012","134","","14158","14164","10.1021/ja305248f","","","0.71073","MoKα","","0.0545","0.0321","","","0.0718","0.0796","","","","","","1.012","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118553","7.133","0.005","15.809","0.005","9.126","0.005","90","0.005","101.666","0.005","90","0.005","1007.8","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N O4 -","- C11 H12 N2 O -","- C44 H48 N8 O4 -","4","1","","Zhiqian Wang; Brandon J. Reinus; Guangbin Dong","Catalytic Intermolecular C-Alkylation of 1,2-Diketones with Simple Olefins: A Recyclable Directing Group Strategy","Journal of the American Chemical Society","2012","134","","13954","13957","10.1021/ja306123m","","","0.71069","MoKα","","0.0883","0.0544","","","0.1141","0.1284","","","","","","1.084","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118554","6.6812","0.0008","9.6029","0.0014","18.372","0.002","90","","96.333","0.003","90","","1171.5","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","2","","Zhiqian Wang; Brandon J. Reinus; Guangbin Dong","Catalytic Intermolecular C-Alkylation of 1,2-Diketones with Simple Olefins: A Recyclable Directing Group Strategy","Journal of the American Chemical Society","2012","134","","13954","13957","10.1021/ja306123m","","","0.71075","MoKα","","0.0348","0.0332","","","0.0928","0.0941","","","","","","1.105","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118555","13.142","0.0003","14.228","0.0003","14.63","0.0003","76.398","0.001","79.756","0.001","64.152","0.001","2383.96","0.09","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C112 H104 B4 O12 -","- C112 H104 B4 O12 -","- C112 H104 B4 O12 -","1","1","","Suguru Ito; Kosuke Ono; Nobuharu Iwasawa","Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units","Journal of the American Chemical Society","2012","134","","13962","13965","10.1021/ja306249f","","x-ray","1.54186","CuKα","","0.1091","0.0867","","","0.2301","0.2575","","","","","","0.97","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118556","13.8499","0.0003","13.8499","0.0003","40.504","0.0007","90","","90","","90","","7769.5","0.3","173","2","173","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C88 H80 B4 O12 -","- C88 H80 B4 O12 -","- C352 H320 B16 O48 -","4","0.5","","Suguru Ito; Kosuke Ono; Nobuharu Iwasawa","Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units","Journal of the American Chemical Society","2012","134","","13962","13965","10.1021/ja306249f","","x-ray","1.54186","CuKα","","0.0978","0.0852","","","0.2338","0.2564","","","","","","1.096","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118557","13.9058","0.0006","13.9058","0.0006","41.035","0.002","90","","90","","90","","7935","0.6","173","2","173","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C90 H100 B4 O12 -","- C90 H100 B4 O12 -","- C360 H400 B16 O48 -","4","0.5","","Suguru Ito; Kosuke Ono; Nobuharu Iwasawa","Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units","Journal of the American Chemical Society","2012","134","","13962","13965","10.1021/ja306249f","","x-ray","1.54186","CuKα","","0.0696","0.0661","","","0.1949","0.2009","","","","","","1.038","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118558","11.5412","0.0002","12.9559","0.0002","14.5534","0.0003","79.051","0.001","87.26","0.001","83.109","0.001","2120.38","0.07","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C82 H76 B4 Cl12 O12 -","- C82 H76 B4 Cl12 O12 -","- C82 H76 B4 Cl12 O12 -","1","1","","Suguru Ito; Kosuke Ono; Nobuharu Iwasawa","Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units","Journal of the American Chemical Society","2012","134","","13962","13965","10.1021/ja306249f","","x-ray","1.54186","CuKα","","0.1265","0.1075","","","0.3012","0.3359","","","","","","1.157","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118559","12.97","0.004","13.166","0.004","13.637","0.004","64.874","0.004","79.21","0.004","88.593","0.005","2067.1","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 B2 Cl6 O6 -","- C40 H36 B2 Cl6 O6 -","- C80 H72 B4 Cl12 O12 -","2","1","","Suguru Ito; Kosuke Ono; Nobuharu Iwasawa","Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units","Journal of the American Chemical Society","2012","134","","13962","13965","10.1021/ja306249f","","x-ray","0.71075","MoKα","","0.1329","0.0702","","","0.2067","0.2584","","","","","","1.127","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118560","14.3811","0.0003","16.3836","0.0003","16.3956","0.0003","98.414","0.001","112.011","0.001","93.432","0.001","3515.1","0.12","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H69 B4 Cl3 O12 -","- C77 H69 B4 Cl3 O12 -","- C154 H138 B8 Cl6 O24 -","2","1","","Suguru Ito; Kosuke Ono; Nobuharu Iwasawa","Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units","Journal of the American Chemical Society","2012","134","","13962","13965","10.1021/ja306249f","","x-ray","1.54186","CuKα","","0.2595","0.1093","","","0.281","0.3968","","","","","","0.968","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118561","8.6294","0.0002","18.2879","0.0005","25.7845","0.0006","90","","90","","90","","4069.14","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N P -","- C28 H20 N P -","- C224 H160 N8 P8 -","8","1","","Alexandra Velian; Christopher C. Cummins","Facile Synthesis of Dibenzo-7λ3-phosphanorbornadiene Derivatives Using Magnesium Anthracene","Journal of the American Chemical Society","2012","134","","13978","13981","10.1021/ja306902j","","","1.54178","CuKα","","0.0381","0.0338","","","0.0853","0.0885","","","","","","1.061","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118562","31.878","0.0016","8.3988","0.0004","15.537","0.0007","90","","102.369","0.002","90","","4063.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N P Si2 -","- C20 H28 N P Si2 -","- C160 H224 N8 P8 Si16 -","8","1","","Alexandra Velian; Christopher C. Cummins","Facile Synthesis of Dibenzo-7λ3-phosphanorbornadiene Derivatives Using Magnesium Anthracene","Journal of the American Chemical Society","2012","134","","13978","13981","10.1021/ja306902j","","","1.54178","CuKα","","0.03","0.0285","","","0.0778","0.0792","","","","","","1.048","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118563","20.1357","0.0005","6.9934","0.0002","14.0398","0.0005","90","","90","","90","","1977.04","0.1","150","","150","","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- Ge16 K14 Zn -","- Ge16 K14 Zn -","- Ge32 K28 Zn2 -","2","0.5","","Saskia Stegmaier; Markus Waibel; Alexander Henze; Laura-Alice Jantke; Antti J. Karttunen; Thomas F. Fässler","Soluble Zintl Phases A14ZnGe16 (A= K, Rb) Featuring [(η3-Ge4)Zn(η2-Ge4)]6- and [Ge4]4- Clusters and the Isolation of [(MesCu)2(η3,η3-Ge4)]4-: The Missing Link in the Solution Chemistry of Tetrahedral Group 14 Element Zintl Clusters","Journal of the American Chemical Society","2012","134","","14450","14460","10.1021/ja304251t","","x-ray","0.71073","MoKα","","0.0168","0.0138","","","0.0186","0.0189","","","","","","0.97","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118564","20.8718","0.0006","7.2103","0.0002","14.4434","0.0004","90","","90","","90","","2173.62","0.11","150","","150","","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- Ge16 Rb14 Zn -","- Ge16 Rb14 Zn -","- Ge32 Rb28 Zn2 -","2","0.5","","Saskia Stegmaier; Markus Waibel; Alexander Henze; Laura-Alice Jantke; Antti J. Karttunen; Thomas F. Fässler","Soluble Zintl Phases A14ZnGe16 (A= K, Rb) Featuring [(η3-Ge4)Zn(η2-Ge4)]6- and [Ge4]4- Clusters and the Isolation of [(MesCu)2(η3,η3-Ge4)]4-: The Missing Link in the Solution Chemistry of Tetrahedral Group 14 Element Zintl Clusters","Journal of the American Chemical Society","2012","134","","14450","14460","10.1021/ja304251t","","x-ray","0.71073","MoKα","","0.013","0.0119","","","0.0227","0.0229","","","","","","1.031","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118565","13.5093","0.0006","15.8892","0.0007","17.7605","0.0008","98.23","0.004","111.166","0.004","107.105","0.004","3262.2","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H92.5 Cu2 Ge4 K4 N7.5 O12 -","- C42 H70 Cu2 Ge4 K4 N7.5 O12 -","- C84 H140 Cu4 Ge8 K8 N15 O24 -","2","1","","Saskia Stegmaier; Markus Waibel; Alexander Henze; Laura-Alice Jantke; Antti J. Karttunen; Thomas F. Fässler","Soluble Zintl Phases A14ZnGe16 (A= K, Rb) Featuring [(η3-Ge4)Zn(η2-Ge4)]6- and [Ge4]4- Clusters and the Isolation of [(MesCu)2(η3,η3-Ge4)]4-: The Missing Link in the Solution Chemistry of Tetrahedral Group 14 Element Zintl Clusters","Journal of the American Chemical Society","2012","134","","14450","14460","10.1021/ja304251t","","","0.71073","MoKα","","0.0861","0.0453","","","0.0998","0.1079","","","","","","0.866","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118566","11.7349","0.0019","15.925","0.003","19.034","0.003","99.153","0.004","103.775","0.004","105.18","0.003","3239.8","1","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C36.5 H37 Cl3 -","- C36.5 H37 Cl3 -","- C146 H148 Cl12 -","4","2","","Zebing Zeng; Young Mo Sung; Nina Bao; Davin Tan; Richmond Lee; José L. Zafra; Byung Sun Lee; Masatoshi Ishida; Jun Ding; Juan T. López Navarrete; Yuan Li; Wangdong Zeng; Dongho Kim; Kuo-Wei Huang; Richard D. Webster; Juan Casado; Jishan Wu","Stable Tetrabenzo-Chichibabin's Hydrocarbons: Tunable Ground State and Unusual Transition between Their Closed-Shell and Open-Shell Resonance Forms","Journal of the American Chemical Society","2012","134","","14513","14525","10.1021/ja3050579","","","0.71073","MoKα","","0.1688","0.1258","","","0.3284","0.3605","","","","","","1.074","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118567","12.2925","0.0012","13.3514","0.0012","15.382","0.0014","93.191","0.002","103.43","0.002","114.838","0.002","2194.5","0.4","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H44 Sn3 -","- C52 H44 Sn3 -","- C104 H88 Sn6 -","2","1","","Zebing Zeng; Young Mo Sung; Nina Bao; Davin Tan; Richmond Lee; José L. Zafra; Byung Sun Lee; Masatoshi Ishida; Jun Ding; Juan T. López Navarrete; Yuan Li; Wangdong Zeng; Dongho Kim; Kuo-Wei Huang; Richard D. Webster; Juan Casado; Jishan Wu","Stable Tetrabenzo-Chichibabin's Hydrocarbons: Tunable Ground State and Unusual Transition between Their Closed-Shell and Open-Shell Resonance Forms","Journal of the American Chemical Society","2012","134","","14513","14525","10.1021/ja3050579","","","0.71073","MoKα","","0.0355","0.0306","","","0.0724","0.0746","","","","","","1.03","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118568","9.174","0.0005","11.6435","0.0007","14.04","0.0008","97.747","0.001","90.571","0.001","110.556","0.001","1388.76","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 D3 N O3 -","- C40 H27 N O3 -","- C80 H54 N2 O6 -","2","1","","Chen Zhao; Robert M. Parrish; Mark D. Smith; Perry J. Pellechia; C. David Sherrill; Ken D. Shimizu","Do Deuteriums Form Stronger CH-π Interactions?","Journal of the American Chemical Society","2012","134","","14306","14309","10.1021/ja305788p","","","0.71073","MoKα","","0.0516","0.0422","","","0.1108","0.1163","","","","","","1.069","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118569","11.9615","0.0005","27.1593","0.0012","22.5319","0.001","90","","100.653","0.001","90","","7193.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C95 H72 N4 O9 -","- C95 H72 N4 O9 -","- C380 H288 N16 O36 -","4","1","","Chen Zhao; Robert M. Parrish; Mark D. Smith; Perry J. Pellechia; C. David Sherrill; Ken D. Shimizu","Do Deuteriums Form Stronger CH-π Interactions?","Journal of the American Chemical Society","2012","134","","14306","14309","10.1021/ja305788p","","","0.71073","MoKα","","0.0506","0.0404","","","0.0904","0.0963","","","","","","1.04","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118570","9.1805","0.0005","11.6505","0.0007","14.0879","0.0008","97.99","0.001","90.37","0.001","110.481","0.001","1395.39","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H27 N O3 -","- C40 H27 N O3 -","- C80 H54 N2 O6 -","2","1","","Chen Zhao; Robert M. Parrish; Mark D. Smith; Perry J. Pellechia; C. David Sherrill; Ken D. Shimizu","Do Deuteriums Form Stronger CH-π Interactions?","Journal of the American Chemical Society","2012","134","","14306","14309","10.1021/ja305788p","","","0.71073","MoKα","","0.0506","0.0452","","","0.113","0.117","","","","","","1.053","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118571","11.6211","0.0005","25.3321","0.0012","8.6027","0.0004","90","","103.675","0.0018","90","","2460.7","0.2","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl3 N3 Pd -","- C28 H24 Cl3 N3 Pd -","- C112 H96 Cl12 N12 Pd4 -","4","1","","Lei Jiao; Eberhardt Herdtweck; Thorsten Bach","Pd(II)-Catalyzed Regioselective 2-Alkylation of Indoles via a Norbornene-Mediated C-H Activation: Mechanism and Applications","Journal of the American Chemical Society","2012","134","","14563","14572","10.1021/ja3058138","","","0.71073","MoKα","","0.0176","0.0171","","","0.0432","0.0435","","","","","","1.085","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118572","21.5869","0.0006","14.9231","0.0004","39.6876","0.0012","90","","90.478","0.002","90","","12784.7","0.6","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C71 H98.12 Ge2 -","- C71 H98.12 Ge2 -","- C568 H784.96 Ge16 -","8","1","","Owen T. Summerscales; Christine A. Caputo; Caroline E. Knapp; James C. Fettinger; Philip P. Power","The Role of Group 14 Element Hydrides in the Activation of C-H Bonds in Cyclic Olefins","Journal of the American Chemical Society","2012","134","","14595","14603","10.1021/ja305853d","","","1.54178","CuKα","","0.0521","0.0486","","","0.1342","0.1368","","","","","","1.054","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118573","20.5795","0.0016","13.4167","0.001","22.7242","0.0017","90","","109.826","0.002","90","","5902.5","0.8","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C69.5 H92 Ge2 -","- C69.5 H92 Ge2 -","- C278 H368 Ge8 -","4","1","","Owen T. Summerscales; Christine A. Caputo; Caroline E. Knapp; James C. Fettinger; Philip P. Power","The Role of Group 14 Element Hydrides in the Activation of C-H Bonds in Cyclic Olefins","Journal of the American Chemical Society","2012","134","","14595","14603","10.1021/ja305853d","","","1.54178","CuKα","","0.0283","0.0282","","","0.0737","0.0738","","","","","","1.071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118574","5.2815","0.0002","14.9489","0.0004","8.7463","0.0003","90","","91.692","0.002","90","","690.24","0.04","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N O3 S -","- C4 H11 N O3 S -","- C16 H44 N4 O12 S4 -","4","1","","Xianqi Kong; Luke A. O'Dell; Victor Terskikh; Eric Ye; Ruiyao Wang; Gang Wu","Variable-Temperature 17O NMR Studies Allow Quantitative Evaluation of Molecular Dynamics in Organic Solids","Journal of the American Chemical Society","2012","134","","14609","14617","10.1021/ja306227p","","","0.71073","MoKα","","0.0375","0.0306","","","0.0789","0.0832","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118575","23.443","0.005","12.578","0.003","18.292","0.004","90","","116.908","0.003","90","","4809.7","1.9","163","2","163","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C47 H58 B Cu N2 O2 -","- C47 H58 B Cu N2 O2 -","- C188 H232 B4 Cu4 N8 O8 -","4","1","","Liang Zhang; Jianhua Cheng; Béatrice Carry; Zhaomin Hou","Catalytic Boracarboxylation of Alkynes with Diborane and Carbon Dioxide by an N-Heterocyclic Carbene Copper Catalyst","Journal of the American Chemical Society","2012","134","","14314","14317","10.1021/ja3063474","","","0.71073","MoKα","","0.0462","0.0411","","","0.0872","0.0895","","","","","","0.984","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118576","10.384","0.002","24.651","0.006","18.961","0.004","90","","97.555","0.004","90","","4811.4","1.8","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 B Cu N2 O4 -","- C48 H58 B Cu N2 O4 -","- C192 H232 B4 Cu4 N8 O16 -","4","1","","Liang Zhang; Jianhua Cheng; Béatrice Carry; Zhaomin Hou","Catalytic Boracarboxylation of Alkynes with Diborane and Carbon Dioxide by an N-Heterocyclic Carbene Copper Catalyst","Journal of the American Chemical Society","2012","134","","14314","14317","10.1021/ja3063474","","","0.71073","MoKα","","0.0673","0.0463","","","0.1028","0.1097","","","","","","1.03","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118577","13.943","0.007","20.195","0.01","10.094","0.005","90","","99.507","0.011","90","","2803","2","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H76 B2 Li2 O12 -","- C58 H76 B2 Li2 O12 -","- C116 H152 B4 Li4 O24 -","2","0.5","","Liang Zhang; Jianhua Cheng; Béatrice Carry; Zhaomin Hou","Catalytic Boracarboxylation of Alkynes with Diborane and Carbon Dioxide by an N-Heterocyclic Carbene Copper Catalyst","Journal of the American Chemical Society","2012","134","","14314","14317","10.1021/ja3063474","","","0.71073","MoKα","","0.1442","0.0779","","","0.1989","0.2427","","","","","","1.043","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118578","47.51","0.007","17.784","0.003","19.386","0.003","90","","92.437","0.003","90","","16365","4","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H104 B4 Li4 O20 -","- C76 H104 B4 Li4 O20 -","- C608 H832 B32 Li32 O160 -","8","1","","Liang Zhang; Jianhua Cheng; Béatrice Carry; Zhaomin Hou","Catalytic Boracarboxylation of Alkynes with Diborane and Carbon Dioxide by an N-Heterocyclic Carbene Copper Catalyst","Journal of the American Chemical Society","2012","134","","14314","14317","10.1021/ja3063474","","","0.71073","MoKα","","0.1608","0.0762","","","0.1534","0.1742","","","","","","1.098","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118579","24.428","0.004","27.216","0.004","12.0685","0.0018","90","","90","","90","","8024","2","100","2","100","2","","","","","","","synthesis as described","5","C 2 2 2","C 2 2","21","","","","- C36 H37 Au Cl N3 -","- C36 H37 Au Cl N3 -","- C288 H296 Au8 Cl8 N24 -","8","1","","Javier Francos; Francisca Grande-Carmona; Hélio Faustino; Javier Iglesias-Sigüenza; Elena Díez; Isaac Alonso; Rosario Fernández; José M. Lassaletta; Fernando López; José L. Mascareñas","Axially Chiral Triazoloisoquinolin-3-ylidene Ligands in Gold(I)-Catalyzed Asymmetric Intermolecular (4 + 2) Cycloadditions of Allenamides and Dienes","Journal of the American Chemical Society","2012","134","","14322","14325","10.1021/ja3065446","","x-ray","0.7107","MoKα","","0.0385","0.0324","","","0.0669","0.069","","","","","","1.055","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118580","6.4097","0.0011","8.1406","0.0013","27.146","0.004","90","","90","","90","","1416.4","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Br N O2 -","- C16 H16 Br N O2 -","- C64 H64 Br4 N4 O8 -","4","1","","Javier Francos; Francisca Grande-Carmona; Hélio Faustino; Javier Iglesias-Sigüenza; Elena Díez; Isaac Alonso; Rosario Fernández; José M. Lassaletta; Fernando López; José L. Mascareñas","Axially Chiral Triazoloisoquinolin-3-ylidene Ligands in Gold(I)-Catalyzed Asymmetric Intermolecular (4 + 2) Cycloadditions of Allenamides and Dienes","Journal of the American Chemical Society","2012","134","","14322","14325","10.1021/ja3065446","","x-ray","0.7107","MoKα","","0.0311","0.0249","","","0.0512","0.0535","","","","","","1.008","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118581","5.76968","0.00013","12.3217","0.0003","26.6953","0.0006","90","","90","","90","","1897.83","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br2 I N O2 -","- C18 H16 Br2 I N O2 -","- C72 H64 Br8 I4 N4 O8 -","4","1","","Fengtao Zhou; Jiajia Guo; Jianguang Liu; Ke Ding; Shouyun Yu; Qian Cai","Copper-Catalyzed Desymmetric Intramolecular Ullmann C-N Coupling: An Enantioselective Preparation of Indolines","Journal of the American Chemical Society","2012","134","","14326","14329","10.1021/ja306631z","","","1.54184","CuKα","","0.0695","0.0682","","","0.1542","0.1567","","","","","","1.123","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118582","19.92","0.0006","21.47","0.0008","8.248","0.0003","90","","107.608","0.0019","90","","3362.3","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Barium 1,3,6,8-Pyrenetetrakisphosphonatemonoethylester","Barium 1,3,6,8-Pyrenetetrakisphosphonatemonoethylester","","- C24 H26 Ba O12 P4 -","- C24 H26 Ba O12 P4 -","- C96 H104 Ba4 O48 P16 -","4","0.5","","Jared M. Taylor; Ramanathan Vaidhyanathan; Simon S. Iremonger; George K. H. Shimizu","Enhancing Water Stability of Metal-Organic Frameworks via Phosphonate Monoester Linkers","Journal of the American Chemical Society","2012","134","","14338","14340","10.1021/ja306812r","","","0.71073","MoKα","","0.0438","0.0393","","","0.1039","0.1143","","","","","","1.173","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118583","20.18","0.002","21.212","0.002","8.3079","0.0008","90","","107.612","0.006","90","","3389.6","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Barium 1,3,6,8-Pyrenetetrakisphosphonatemonoethylester","Barium 1,3,6,8-Pyrenetetrakisphosphonatemonoethylester","","- C24 H26 Ba O12 P4 -","- C24 H26 Ba O12 P4 -","- C96 H104 Ba4 O48 P16 -","4","0.5","","Jared M. Taylor; Ramanathan Vaidhyanathan; Simon S. Iremonger; George K. H. Shimizu","Enhancing Water Stability of Metal-Organic Frameworks via Phosphonate Monoester Linkers","Journal of the American Chemical Society","2012","134","","14338","14340","10.1021/ja306812r","","","1.54178","CuKα","","0.0453","0.0435","","","0.1124","0.1143","","","","","","1.061","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118584","11.865","0.003","16.434","0.003","17.172","0.004","90","","104.573","0.003","90","","3240.6","1.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H58 B N O2 P2 Ru -","- C29 H58 B N O2 P2 Ru -","- C116 H232 B4 N4 O8 P8 Ru4 -","4","2","","Chidambaram Gunanathan; Markus Hölscher; Fangfang Pan; Walter Leitner","Ruthenium Catalyzed Hydroboration of Terminal Alkynes toZ-Vinylboronates","Journal of the American Chemical Society","2012","134","","14349","14352","10.1021/ja307233p","","","0.71073","MoKα","","0.0317","0.0295","","","0.0714","0.073","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118585","8.0095","0.0012","7.7557","0.0012","9.8426","0.0014","90","","108.16","0.002","90","","580.96","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cl2 Cs2 Hg I2 -","- Cl2 Cs2 Hg I2 -","- Cl4 Cs4 Hg2 I4 -","2","1","","Gang Zhang; Yanjun Li; Kui Jiang; Huiyi Zeng; Tao Liu; Xingguo Chen; Jingui Qin; Zheshuai Lin; Peizhen Fu; Yicheng Wu; Chuangtian Chen","A New Mixed Halide, Cs2HgI2Cl2: Molecular Engineering for a New Nonlinear Optical Material in the Infrared Region","Journal of the American Chemical Society","2012","134","","14818","14822","10.1021/ja3037299","","","0.71073","MoKα","","0.0433","0.035","","","0.0945","0.1167","","","","","","1.123","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118586","18.548","0.006","19.178","0.006","13.92","0.005","90","","122.838","0.004","90","","4160","2","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C52 H60 Si2 -","- C52 H60 Si2 -","- C208 H240 Si8 -","4","0.5","","Yuan Li; Wee-Kuan Heng; Byung Sun Lee; Naoki Aratani; José L. Zafra; Nina Bao; Richmond Lee; Young Mo Sung; Zhe Sun; Kuo-Wei Huang; Richard D. Webster; Juan T. López Navarrete; Dongho Kim; Atsuhiro Osuka; Juan Casado; Jun Ding; Jishan Wu","Kinetically Blocked Stable Heptazethrene and Octazethrene: Closed-Shell or Open-Shell in the Ground State?","Journal of the American Chemical Society","2012","134","","14913","14922","10.1021/ja304618v","","","0.71073","MoKα","","0.0609","0.048","","","0.13","0.1398","","","","","","1.039","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118587","8.41","0.003","9.846","0.004","14.02","0.006","73.046","0.005","77.078","0.005","87.083","0.005","1082.2","0.7","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C54 H58 Si2 -","- C54 H58 Si2 -","- C54 H58 Si2 -","1","0.5","","Yuan Li; Wee-Kuan Heng; Byung Sun Lee; Naoki Aratani; José L. Zafra; Nina Bao; Richmond Lee; Young Mo Sung; Zhe Sun; Kuo-Wei Huang; Richard D. Webster; Juan T. López Navarrete; Dongho Kim; Atsuhiro Osuka; Juan Casado; Jun Ding; Jishan Wu","Kinetically Blocked Stable Heptazethrene and Octazethrene: Closed-Shell or Open-Shell in the Ground State?","Journal of the American Chemical Society","2012","134","","14913","14922","10.1021/ja304618v","","","0.71073","MoKα","","0.0401","0.0345","","","0.0893","0.0947","","","","","","1.042","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118588","12.5729","0.0019","12.5729","0.0019","25.944","0.008","90","","90","","90","","4101.2","1.5","298","2","298","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C42 H42 Ho4 N2 O24 -","- C42 H28 Ho4 N2 O24 -","- C84 H56 Ho8 N4 O48 -","2","0.25","","Pengyan Wu; Cheng He; Jian Wang; Xiaojun Peng; Xuezhao Li; Yonglin An; Chunying Duan","Photoactive Chiral Metal-Organic Frameworks for Light-Driven Asymmetric α-Alkylation of Aldehydes","Journal of the American Chemical Society","2012","134","","14991","14999","10.1021/ja305367j","","","0.71073","MoKα","","0.1064","0.0664","","","0.1692","0.1908","","","","","","1.017","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118589","9.789","0.014","22.29","0.03","16.53","0.02","90","","91.75","0.03","90","","3605","8","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H36 N4 O10 Zn2 -","- C34 H33 N4 O10 Zn2 -","- C136 H132 N16 O40 Zn8 -","4","2","","Pengyan Wu; Cheng He; Jian Wang; Xiaojun Peng; Xuezhao Li; Yonglin An; Chunying Duan","Photoactive Chiral Metal-Organic Frameworks for Light-Driven Asymmetric α-Alkylation of Aldehydes","Journal of the American Chemical Society","2012","134","","14991","14999","10.1021/ja305367j","","","0.71073","MoKα","","0.1527","0.0734","","","0.1544","0.1866","","","","","","1.004","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118590","64.528","0.01","64.528","0.01","64.528","0.01","90","","90","","90","","268686","7","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C22 H8 Cu O4 -","- C22 H8 Cu O4 -","- C2112 H768 Cu96 O384 -","96","0.5","","Omar K. Farha; Ibrahim Eryazici; Nak Cheon Jeong; Brad G. Hauser; Christopher E. Wilmer; Amy A. Sarjeant; Randall Q. Snurr; SonBinh T. Nguyen; A. Özgür Yazaydin; Joseph T. Hupp","Metal-Organic Framework Materials with Ultrahigh Surface Areas: Is the Sky the Limit?","Journal of the American Chemical Society","2012","134","","15016","15021","10.1021/ja3055639","","","1.54178","CuKα","","0.1568","0.1083","","","0.2648","0.2896","","","","","","0.86","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118591","68.706","0.01","68.706","0.01","68.706","0.01","90","","90","","90","","324328","8","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C26 H12 Cu O4 -","- C26 H12 Cu O4 -","- C2496 H1152 Cu96 O384 -","96","0.5","","Omar K. Farha; Ibrahim Eryazici; Nak Cheon Jeong; Brad G. Hauser; Christopher E. Wilmer; Amy A. Sarjeant; Randall Q. Snurr; SonBinh T. Nguyen; A. Özgür Yazaydin; Joseph T. Hupp","Metal-Organic Framework Materials with Ultrahigh Surface Areas: Is the Sky the Limit?","Journal of the American Chemical Society","2012","134","","15016","15021","10.1021/ja3055639","","","1.54178","CuKα","","0.2099","0.1375","","","0.3233","0.3728","","","","","","1.32","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118592","8.3972","0.0006","17.4245","0.0012","24.1671","0.0016","90","","90","","90","","3536.1","0.4","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H44 Cl N O2 P Rh -","- C41 H44 Cl N O2 P Rh -","- C164 H176 Cl4 N4 O8 P4 Rh4 -","4","1","","Max von Delius; Christine M. Le; Vy M. Dong","Rhodium-Phosphoramidite Catalyzed Alkene Hydroacylation: Mechanism and Octaketide Natural Product Synthesis","Journal of the American Chemical Society","2012","134","","15022","15032","10.1021/ja305593y","","","0.71073","MoKα","","0.0373","0.0305","","","0.0609","0.0632","","","","","","1.009","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118593","10.0136","0.0005","10.1157","0.0005","10.9568","0.0005","108.517","0.002","101.863","0.002","115.104","0.002","874.95","0.08","147","2","147","2","","","","","","","","3","P 1","P 1","1","","","","- C18 H26 O6 -","- C18 H26 O6 -","- C36 H52 O12 -","2","2","","Max von Delius; Christine M. Le; Vy M. Dong","Rhodium-Phosphoramidite Catalyzed Alkene Hydroacylation: Mechanism and Octaketide Natural Product Synthesis","Journal of the American Chemical Society","2012","134","","15022","15032","10.1021/ja305593y","","","1.54178","CuKα","","0.0476","0.0441","","","0.1238","0.1265","","","","","","1.075","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118594","11.8304","0.0003","11.6976","0.0003","13.0197","0.0003","90","","103.232","0.001","90","","1753.93","0.08","150","1","150","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H44 Cl N O2 P Rh -","- C41 H44 Cl N O2 P Rh -","- C82 H88 Cl2 N2 O4 P2 Rh2 -","2","1","","Max von Delius; Christine M. Le; Vy M. Dong","Rhodium-Phosphoramidite Catalyzed Alkene Hydroacylation: Mechanism and Octaketide Natural Product Synthesis","Journal of the American Chemical Society","2012","134","","15022","15032","10.1021/ja305593y","","","0.71073","MoKα","","0.0236","0.0219","","","0.0513","0.0521","","","","","","1.044","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118595","12.696","0.004","16.77","0.005","20.084","0.006","83.628","0.01","86.485","0.01","82.299","0.009","4207","2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H53 B N2 -","- C52 H53 B N2 -","- C208 H212 B4 N8 -","4","2","","Dawei Tian; Jiang Jiang; Hongfan Hu; Jianying Zhang; Chunming Cui","One-Step Access to Luminescent Pentaaryldiazaboroles via C-C Double Bond Formation from Imidoylstannanes","Journal of the American Chemical Society","2012","134","","14666","14669","10.1021/ja305806r","","","0.71073","MoKα","","0.0902","0.0526","","","0.1016","0.1154","","","","","","1.004","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118596","40.65","0.011","10.558","0.003","22.039","0.006","90","","111.716","0.005","90","","8787","4","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H47 B F6 N2 -","- C46 H47 B F6 N2 -","- C368 H376 B8 F48 N16 -","8","1","","Dawei Tian; Jiang Jiang; Hongfan Hu; Jianying Zhang; Chunming Cui","One-Step Access to Luminescent Pentaaryldiazaboroles via C-C Double Bond Formation from Imidoylstannanes","Journal of the American Chemical Society","2012","134","","14666","14669","10.1021/ja305806r","","","0.71073","MoKα","","0.0658","0.0519","","","0.137","0.1458","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118597","9.837","0.008","9.489","0.008","10.72","0.009","90","","107.12","0.013","90","","956.3","1.4","298","2","298","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 D20 -","- C26 D20 -","- C52 D40 -","2","1","","Natalia B. Shustova; Ta-Chung Ong; Anthony F. Cozzolino; Vladimir K. Michaelis; Robert G. Griffin; Mircea Dincă","Phenyl Ring Dynamics in a Tetraphenylethylene-Bridged Metal-Organic Framework: Implications for the Mechanism of Aggregation-Induced Emission","Journal of the American Chemical Society","2012","134","","15061","15070","10.1021/ja306042w","","","0.71073","MoKα","","0.0683","0.044","","","0.1095","0.1224","","","","","","1.072","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118598","9.8224","0.0011","9.6","0.0011","10.672","0.0012","90","","106.837","0.002","90","","963.18","0.19","373","2","373","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 D20 -","- C26 D20 -","- C52 D40 -","2","1","","Natalia B. Shustova; Ta-Chung Ong; Anthony F. Cozzolino; Vladimir K. Michaelis; Robert G. Griffin; Mircea Dincă","Phenyl Ring Dynamics in a Tetraphenylethylene-Bridged Metal-Organic Framework: Implications for the Mechanism of Aggregation-Induced Emission","Journal of the American Chemical Society","2012","134","","15061","15070","10.1021/ja306042w","","","0.71073","MoKα","","0.0557","0.039","","","0.1067","0.1159","","","","","","1.089","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118599","26.446","0.002","13.7337","0.0011","17.5302","0.0015","90","","126.487","0.002","90","","5119","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H11 D8 N2 O6 Zn -","- C25 H11 D8 N2 O6 Zn -","- C200 H88 D64 N16 O48 Zn8 -","8","1","","Natalia B. Shustova; Ta-Chung Ong; Anthony F. Cozzolino; Vladimir K. Michaelis; Robert G. Griffin; Mircea Dincă","Phenyl Ring Dynamics in a Tetraphenylethylene-Bridged Metal-Organic Framework: Implications for the Mechanism of Aggregation-Induced Emission","Journal of the American Chemical Society","2012","134","","15061","15070","10.1021/ja306042w","","","0.71073","MoKα","","0.0908","0.0697","","","0.2031","0.2207","","","","","","1.072","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118600","13.531","0.003","18.291","0.004","22.172","0.006","90","","90","","90","","5487","2","373","2","373","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C20 H11 D8 N O5 Zn -","- C20 D8 N O5 Zn -","- C160 D64 N8 O40 Zn8 -","8","0.5","","Natalia B. Shustova; Ta-Chung Ong; Anthony F. Cozzolino; Vladimir K. Michaelis; Robert G. Griffin; Mircea Dincă","Phenyl Ring Dynamics in a Tetraphenylethylene-Bridged Metal-Organic Framework: Implications for the Mechanism of Aggregation-Induced Emission","Journal of the American Chemical Society","2012","134","","15061","15070","10.1021/ja306042w","","","0.71073","MoKα","","0.1083","0.0707","","","0.2366","0.2764","","","","","","1.09","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118601","12.9363","0.0008","10.1434","0.0005","24.9315","0.0014","90","","98.832","0.003","90","","3232.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O2 S -","- C19 H17 N O2 S -","- C152 H136 N8 O16 S8 -","8","2","","Nicklas Selander; Brady T. Worrell; Stepan Chuprakov; Subash Velaparthi; Valery V. Fokin","Arylation of Rhodium(II) Azavinyl Carbenes with Boronic Acids","Journal of the American Chemical Society","2012","134","","14670","14673","10.1021/ja3062453","","","0.71073","MoKα","","0.0671","0.0485","","","0.1056","0.1135","","","","","","1.011","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118602","32.6003","0.0011","32.6003","0.0011","32.6003","0.0011","90","","90","","90","","34647","2","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C264 H168 O64 Zr12 -","- C264 H168 O64 Zr12 -","- C528 H336 O128 Zr24 -","2","0.0104167","","Hai-Long Jiang; Dawei Feng; Tian-Fu Liu; Jian-Rong Li; Hong-Cai Zhou","Pore Surface Engineering with Controlled Loadings of Functional Groups via Click Chemistry in Highly Stable Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","14690","14693","10.1021/ja3063919","","","0.71073","MoKα","","0.1276","0.0552","","","0.1216","0.1422","","","","","","0.941","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118603","32.657","0.019","32.657","0.019","32.657","0.019","90","","90","","90","","34828","4","110","2","110","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C72 H48 O16 Zr3 -","- C72 H48 O16 Zr3 -","- C576 H384 O128 Zr24 -","8","0.0416667","","Hai-Long Jiang; Dawei Feng; Tian-Fu Liu; Jian-Rong Li; Hong-Cai Zhou","Pore Surface Engineering with Controlled Loadings of Functional Groups via Click Chemistry in Highly Stable Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","14690","14693","10.1021/ja3063919","","","0.71073","MoKα","","0.1438","0.0913","","","0.2218","0.2433","","","","","","0.962","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118604","32.6919","0.0014","32.6919","0.0014","32.6919","0.0014","90","","90","","90","","34940","3","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C66 H36 N18 O16 Zr3 -","- C72 H36 N18 O16 Zr3 -","- C576 H288 N144 O128 Zr24 -","8","0.0416667","","Hai-Long Jiang; Dawei Feng; Tian-Fu Liu; Jian-Rong Li; Hong-Cai Zhou","Pore Surface Engineering with Controlled Loadings of Functional Groups via Click Chemistry in Highly Stable Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","14690","14693","10.1021/ja3063919","","","0.71073","MoKα","","0.0659","0.0476","","","0.1361","0.1453","","","","","","1.05","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118605","17.5796","0.0005","18.0261","0.0005","18.1007","0.0006","118.07","0.003","94.307","0.002","110.248","0.003","4548.1","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C166 H158 Au20 Cl10 N20 O8 P10 -","- C166 H134 Au20 Cl10 N20 O8 P10 -","- C166 H134 Au20 Cl10 N20 O8 P10 -","1","0.5","","Xian-Kai Wan; Zhi-Wei Lin; Quan-Ming Wang","Au20 Nanocluster Protected by Hemilabile Phosphines","Journal of the American Chemical Society","2012","134","","14750","14752","10.1021/ja307256b","","","0.71073","MoKα","","0.1412","0.0719","","","0.1308","0.1651","","","","","","1.032","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118606","10.6246","0.0003","11.5766","0.0003","33.387","0.002","90","","90","","90","","4106.5","0.3","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2R,4aR,5aS,9aR,10R,10aR)-10-(benzyloxy)-7-methylene-2-phenyloctahydro -4H-pyrano[2',3':5,6]pyrano[3,2-d][1,3]dioxine","","- C24 H26 O5 -","- C24 H26 O5 -","- C192 H208 O40 -","8","2","","Min Huang; Pascal Retailleau; Luis Bohé; David Crich","Cation Clock Permits Distinction Between the Mechanisms of α- and β-O- and β-C-Glycosylation in the Mannopyranose Series: Evidence for the Existence of a Mannopyranosyl Oxocarbenium Ion","Journal of the American Chemical Society","2012","134","","14746","14749","10.1021/ja307266n","","","1.54187","CuKα","","0.0652","0.0401","","","0.0889","0.1178","","","","","","1.132","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118607","15.406","0.003","28.983","0.005","4.5886","0.0009","90","","90","","90","","2048.9","0.7","193","2","193","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","(2R,4aR,5aR,9aS,10S,10aR)-10-(benzyloxy)-7-methylene-2-phenyloctahydro -4H-pyrano[2',3':5,6]pyrano[3,2-d][1,3]dioxine","","- C24 H26 O5 -","- C24 H26 O5 -","- C96 H104 O20 -","4","1","","Min Huang; Pascal Retailleau; Luis Bohé; David Crich","Cation Clock Permits Distinction Between the Mechanisms of α- and β-O- and β-C-Glycosylation in the Mannopyranose Series: Evidence for the Existence of a Mannopyranosyl Oxocarbenium Ion","Journal of the American Chemical Society","2012","134","","14746","14749","10.1021/ja307266n","","","1.54187","CuKα","","0.1072","0.0741","","","0.1442","0.1735","","","","","","0.999","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118608","19.5003","0.001","10.581","0.0005","14.9192","0.0008","90","","104.811","0.001","90","","2976","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38.91 H27.86 Cl0.05 O3.91 Ru -","- C38.906 H27.859 Cl0.047 O3.906 Ru -","- C155.624 H111.436 Cl0.188 O15.624 Ru4 -","4","1","","Sarah Yunmi Lee; Jaclyn M. Murphy; Atsushi Ukai; Gregory C. Fu","Nonenzymatic Dynamic Kinetic Resolution of Secondary Alcohols via Enantioselective Acylation: Synthetic and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","15149","15153","10.1021/ja307425g","","","0.71073","MoKα","","0.0234","0.0212","","","0.0548","0.0564","","","","","","1.057","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118609","14.3602","0.0003","12.081","0.0002","15.8793","0.0003","90","","100.891","0.0009","90","","2705.21","0.09","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H78 N6 Ni2 -","- C58 H78 N6 Ni2 -","- C116 H156 N12 Ni4 -","2","0.5","","Ryan M. Stolley; Hung A. Duong; David R. Thomas; Janis Louie","The Discovery of [Ni(NHC)RCN]2 Species and Their Role as Cycloaddition Catalysts for the Formation of Pyridines","Journal of the American Chemical Society","2012","134","","15154","15162","10.1021/ja3075924","","","0.71073","MoKα","","0.0606","0.0411","","","0.0976","0.1085","","","","","","1.025","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118610","11.2679","0.0002","12.7149","0.0003","23.5803","0.0005","103.003","0.0012","93.2032","0.0013","99.1686","0.0011","3234.86","0.12","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C70 H80 F6 N6 Ni2 -","- C70 H80 F6 N6 Ni2 -","- C140 H160 F12 N12 Ni4 -","2","1","","Ryan M. Stolley; Hung A. Duong; David R. Thomas; Janis Louie","The Discovery of [Ni(NHC)RCN]2 Species and Their Role as Cycloaddition Catalysts for the Formation of Pyridines","Journal of the American Chemical Society","2012","134","","15154","15162","10.1021/ja3075924","","","0.71073","MoKα","","0.09","0.0486","","","0.0968","0.1126","","","","","","1.017","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118611","7.5455","0.0003","14.4979","0.0006","17.2744","0.0008","90","","90","","90","","1889.71","0.14","100","","100","","","","","","","","dichloromethane/hexane","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O2 S -","- C22 H25 N O2 S -","- C88 H100 N4 O8 S4 -","4","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","1.54178","Cu-Kα","","0.0269","0.0266","","","0.0679","0.0681","","","","","","1.092","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118612","5.2727","0.0003","8.7836","0.0004","28.3603","0.0013","90","","90","","90","","1313.46","0.11","100","","100","","","","","","","","dichloromethane,hexane","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br N O2 S -","- C13 H14 Br N O2 S -","- C52 H56 Br4 N4 O8 S4 -","4","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","1.54184","Cu-Kα","","0.0196","0.0196","","","0.0491","0.0491","","","","","","1.129","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118613","8.2326","0.0002","9.9596","0.0003","12.9633","0.0004","90","","101.47","0.001","90","","1041.68","0.05","100","","100","","","","","","","","dichloromethane/heptane","4","P 1 21 1","P 2yb","4","","23p","","- C27 H23 Br O2 -","- C27 H23 Br O2 -","- C54 H46 Br2 O4 -","2","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","1.54178","Cu-Kα","","0.0297","0.0286","","","0.0696","0.0701","","","","","","1.095","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118614","9.0137","0.0013","11.1334","0.0016","11.4146","0.0016","105.241","0.003","101.586","0.003","98.3","0.003","1058.9","0.3","100","","100","","","","","","","","dichloromethane,hexane","4","P -1","-P 1","2","","","","- C27 H23 Br O2 -","- C27 H23 Br O2 -","- C54 H46 Br2 O4 -","2","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","1.54178","Cu-Kα","","0.026","0.026","","","0.0654","0.0654","","","","","","1.078","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118615","8.6829","0.001","12.0278","0.0013","20.525","0.002","96.907","0.002","93.178","0.002","102.549","0.002","2069.8","0.4","100","","100","","","","","","","","dichlormethane,hexane","4","P -1","-P 1","2","","31m","","- C27 H23 Br O2 -","- C27 H23 Br O2 -","- C108 H92 Br4 O8 -","4","2","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","0.71073","Mo-Kα","","0.0596","0.0393","","","0.0892","0.0969","","","","","","1.019","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118616","24.467","0.0011","7.0733","0.0003","15.2093","0.0007","90","","122.791","0.002","90","","2212.73","0.18","100","","100","","","","","","","","pentane/dichloromethane/acetonitrile","5","C 1 2 1","C 2y","5","","(3,5-dinitro)-(3-(2,2-dimethylvinyl)-4,6-dimethoxy-2,3-dihydroindolyl)methanone","","- C87 H89 Cl2 N13 O28 -","- C87 H89 Cl2 N13 O28 -","- C87 H89 Cl2 N13 O28 -","1","0.25","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","1.54178","Cu-Kα","","0.0625","0.0614","","","0.1696","0.1712","","","","","","1.087","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118617","11.3398","0.0015","20.632","0.003","24.048","0.003","90","","90","","90","","5626.3","1.3","100","","100","","","","","","","","hexane","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H78 Au Cl N O4 P -","- C62 H78 Au Cl N O4 P -","- C248 H312 Au4 Cl4 N4 O16 P4 -","4","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","0.71073","Mo-Kα","","0.0895","0.0446","","","0.0832","0.1004","","","","","","1.048","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118618","12.383","0.003","14.152","0.004","16.719","0.004","90","","111.16","0.004","90","","2732.4","1.2","100","","100","","","","","","","","acetonitrile,diethylether,pentane","7","P 1 21 1","P 2yb","4","","","","- C66 H60 Au Cl N3 O4 P -","- C66 H60 Au Cl N3 O4 P -","- C132 H120 Au2 Cl2 N6 O8 P2 -","2","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","0.71073","Mo-Kα","","0.0397","0.0321","","","0.0768","0.0802","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118619","10.075","0.0002","16.2784","0.0003","17.9427","0.0003","107.578","0.0014","96.7864","0.0012","102.579","0.0012","2683.91","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C75 H55 O6 -","- C75 H55 O6 -","- C150 H110 O12 -","2","1","","Rebecca R. Parkhurst; Timothy M. Swager","Synthesis and Optical Properties of Phenylene-Containing Oligoacenes","Journal of the American Chemical Society","2012","134","","15351","15356","10.1021/ja3043883","","","1.54178","CuKα","","0.0511","0.0412","","","0.1025","0.1099","","","","","","1.034","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118620","8.5507","0.0002","17.9987","0.0004","16.5702","0.0004","90","","100.065","0.002","90","","2510.93","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 O3 -","- C36 H22 O3 -","- C144 H88 O12 -","4","1","","Rebecca R. Parkhurst; Timothy M. Swager","Synthesis and Optical Properties of Phenylene-Containing Oligoacenes","Journal of the American Chemical Society","2012","134","","15351","15356","10.1021/ja3043883","","","1.54178","CuKα","","0.04","0.0384","","","0.0962","0.0979","","","","","","1.03","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118621","16.7208","0.0003","8.1057","0.0002","36.3982","0.0007","90","","102.939","0.001","90","","4807.93","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C58 H62 Si2 -","- C58 H62 Si2 -","- C232 H248 Si8 -","4","2","","Rebecca R. Parkhurst; Timothy M. Swager","Synthesis and Optical Properties of Phenylene-Containing Oligoacenes","Journal of the American Chemical Society","2012","134","","15351","15356","10.1021/ja3043883","","","1.54178","CuKα","","0.0323","0.031","","","0.0817","0.0828","","","","","","1.06","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118622","19.4446","0.0004","8.0797","0.0002","20.5841","0.0004","90","","109.916","0.001","90","","3040.49","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C80 H74 Si2 -","- C80 H74 Si2 -","- C160 H148 Si4 -","2","0.5","","Rebecca R. Parkhurst; Timothy M. Swager","Synthesis and Optical Properties of Phenylene-Containing Oligoacenes","Journal of the American Chemical Society","2012","134","","15351","15356","10.1021/ja3043883","","","1.54178","CuKα","","0.0485","0.0447","","","0.1194","0.1238","","","","","","1.031","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118623","36.332","0.005","36.332","0.005","15.208","0.003","90","","90","","90","","20075","6","100","2","100","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C78 H180 Cu6 Mn4 N12 Na4 O96 -","- C78 H60 Cu6 Mn4 N12 Na4 O96 -","- C312 H240 Cu24 Mn16 N48 Na16 O384 -","4","0.25","","Jesús Ferrando-Soria; Pablo Serra-Crespo; Martijn de Lange; Jorge Gascon; Freek Kapteijn; Miguel Julve; Joan Cano; Francesc Lloret; Jorge Pasán; Catalina Ruiz-Pérez; Yves Journaux; Emilio Pardo","Selective Gas and Vapor Sorption and Magnetic Sensing by an Isoreticular Mixed-Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","15301","15304","10.1021/ja3045822","","","0.7385","","","0.1911","0.1906","","","0.5535","0.5536","","","","","","2.87","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118624","7.8833","0.0009","9.5197","0.001","9.8399","0.0011","96.954","0.002","102.101","0.001","106.323","0.001","680.07","0.13","153","1","153","1","","","","","","","","3","P -1","-P 1","2","","","","- C28 H28 P6 -","- C28 H28 P6 -","- C28 H28 P6 -","1","0.5","","Kai-Oliver Feldmann; Jan J. Weigand","P-N/P-P Bond Metathesis for the Synthesis of Complex Polyphosphanes","Journal of the American Chemical Society","2012","134","","15443","15456","10.1021/ja305406x","","","0.71073","MoKα","","0.031","0.0278","","","0.0729","0.075","","","","","","1.054","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118625","14.8647","0.0005","13.8772","0.0005","19.5756","0.0007","90","","110.079","0.001","90","","3792.6","0.2","153","1","153","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Fe2 O8 P6 -","- C36 H28 Fe2 O8 P6 -","- C144 H112 Fe8 O32 P24 -","4","0.5","","Kai-Oliver Feldmann; Jan J. Weigand","P-N/P-P Bond Metathesis for the Synthesis of Complex Polyphosphanes","Journal of the American Chemical Society","2012","134","","15443","15456","10.1021/ja305406x","","","0.71073","MoKα","","0.0314","0.0243","","","0.0575","0.0608","","","","","","1.025","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118626","13.1401","0.0015","15.312","0.002","10.2692","0.0012","90","","94.958","0.004","90","","2058.4","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 P8 -","- C42 H42 P8 -","- C84 H84 P16 -","2","0.5","","Kai-Oliver Feldmann; Jan J. Weigand","P-N/P-P Bond Metathesis for the Synthesis of Complex Polyphosphanes","Journal of the American Chemical Society","2012","134","","15443","15456","10.1021/ja305406x","","","0.71073","MoKα","","0.1025","0.0565","","","0.1225","0.1398","","","","","","1.019","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118627","10.175","0.0003","11.2802","0.0004","11.3973","0.0004","87.896","0.002","74.343","0.002","67.681","0.002","1162.05","0.07","173","","173","2","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C22 H24 Br I N4 O3 -","- C22 H24 Br I N4 O3 -","- C44 H48 Br2 I2 N8 O6 -","2","1","","Dmitrijs Lubriks; Igors Sokolovs; Edgars Suna","Indirect C-H Azidation of Heterocycles via Copper-Catalyzed Regioselective Fragmentation of Unsymmetrical λ3-Iodanes","Journal of the American Chemical Society","2012","134","","15436","15442","10.1021/ja305574k","","","0.71073","MoKα","","0.078","0.051","","0.194","0.137","0.125","","","2.245","2.016","2.016","1.98","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"4118628","7.7822","0.0003","12.3633","0.0005","12.6194","0.0006","92.675","0.002","94.9141","0.0014","97.142","0.002","1198.29","0.09","193","","193","2","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C42 H46 Br2 I2 N8 O7 -","- C42 H46 Br2 I2 N8 O7 -","- C42 H46 Br2 I2 N8 O7 -","1","0.5","","Dmitrijs Lubriks; Igors Sokolovs; Edgars Suna","Indirect C-H Azidation of Heterocycles via Copper-Catalyzed Regioselective Fragmentation of Unsymmetrical λ3-Iodanes","Journal of the American Chemical Society","2012","134","","15436","15442","10.1021/ja305574k","","","0.71073","MoKα","","0.1376","0.0791","","","0.1915","0.251","","","","","","1.438","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4118629","16.9301","0.0004","12.074","0.0004","24.2248","0.0007","90","","99.155","0.002","90","","4888.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H72 N3 P S Si6 U -","- C37 H72 N3 P S Si6 U -","- C148 H288 N12 P4 S4 Si24 U4 -","4","1","","Jessie L. Brown; Skye Fortier; Richard A. Lewis; Guang Wu; Trevor W. Hayton","A Complete Family of Terminal Uranium Chalcogenides, [U(E)(N{SiMe3}2)3]- (E = O, S, Se, Te)","Journal of the American Chemical Society","2012","134","","15468","15475","10.1021/ja305712m","","","0.71073","MoKα","","0.0629","0.0342","","","0.0634","0.0712","","","","","","0.994","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118630","16.9733","0.0004","12.0775","0.0004","24.2638","0.0007","90","","99.525","0.002","90","","4905.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H72 N3 P Se Si6 U -","- C37 H72 N3 P Se Si6 U -","- C148 H288 N12 P4 Se4 Si24 U4 -","4","1","","Jessie L. Brown; Skye Fortier; Richard A. Lewis; Guang Wu; Trevor W. Hayton","A Complete Family of Terminal Uranium Chalcogenides, [U(E)(N{SiMe3}2)3]- (E = O, S, Se, Te)","Journal of the American Chemical Society","2012","134","","15468","15475","10.1021/ja305712m","","","0.71073","MoKα","","0.071","0.0555","","","0.1334","0.1399","","","","","","1.339","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118631","17.154","0.0004","12.0776","0.0003","24.4001","0.0006","90","","100.31","0.001","90","","4973.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H72 N3 P Si6 Te U -","- C37 H72 N3 P Si6 Te U -","- C148 H288 N12 P4 Si24 Te4 U4 -","4","1","","Jessie L. Brown; Skye Fortier; Richard A. Lewis; Guang Wu; Trevor W. Hayton","A Complete Family of Terminal Uranium Chalcogenides, [U(E)(N{SiMe3}2)3]- (E = O, S, Se, Te)","Journal of the American Chemical Society","2012","134","","15468","15475","10.1021/ja305712m","","","0.71073","MoKα","","0.0634","0.0354","","","0.0632","0.0712","","","","","","1.001","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118632","19.8951","0.0015","14.027","0.001","20.5125","0.0013","90","","115.802","0.004","90","","5153.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H84 Co N3 O Si6 U -","- C38 H84 Co N3 O Si6 U -","- C152 H336 Co4 N12 O4 Si24 U4 -","4","1","","Jessie L. Brown; Skye Fortier; Richard A. Lewis; Guang Wu; Trevor W. Hayton","A Complete Family of Terminal Uranium Chalcogenides, [U(E)(N{SiMe3}2)3]- (E = O, S, Se, Te)","Journal of the American Chemical Society","2012","134","","15468","15475","10.1021/ja305712m","","","0.71073","MoKα","","0.072","0.0461","","","0.0917","0.0986","","","","","","1.115","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118633","14.0164","0.0016","7.1162","0.0008","29.169","0.003","90","","98.685","0.001","90","","2876.1","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 B F2 N4 -","- C17 H11 B F2 N4 -","- C136 H88 B8 F16 N32 -","8","1","","Yin Yang; Russell P. Hughes; Ivan Aprahamian","Visible Light Switching of a BF2-Coordinated Azo Compound","Journal of the American Chemical Society","2012","134","","15221","15224","10.1021/ja306030d","","x-ray","0.71073","MoKα","","0.047","0.0358","","","0.0817","0.0874","","","","","","1.039","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118634","4.8728","0.0001","23.4575","0.0006","12.785","0.0003","90","","91.338","0.002","90","","1460.97","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 B F2 N4 -","- C17 H11 B F2 N4 -","- C68 H44 B4 F8 N16 -","4","1","","Yin Yang; Russell P. Hughes; Ivan Aprahamian","Visible Light Switching of a BF2-Coordinated Azo Compound","Journal of the American Chemical Society","2012","134","","15221","15224","10.1021/ja306030d","","x-ray","1.54178","CuKα","","0.0822","0.0512","","","0.0885","0.1008","","","","","","1.024","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118635","10.281","0.004","11.029","0.004","12.894","0.004","90","","112.791","0.005","90","","1347.9","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cr O3 -","- C16 H12 Cr O3 -","- C64 H48 Cr4 O12 -","4","1","","Deven P. Estes; Jack R. Norton; Steffen Jockusch; Wesley Sattler","Mechanisms by which Alkynes React with CpCr(CO)3H. Application to Radical Cyclization","Journal of the American Chemical Society","2012","134","","15512","15518","10.1021/ja306120n","","","0.71073","MoKα","","0.1868","0.0636","","","0.1289","0.1663","","","","","","1.005","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118636","5.9599","0.0004","14.1275","0.0007","11.3539","0.0006","90","","92.37","0.005","90","","955.16","0.09","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C44 H56 O6 -","2","1","","Zhanjie Li; Vyacheslav Boyarskikh; Jørn H. Hansen; Jochen Autschbach; Djamaladdin G. Musaev; Huw M. L. Davies","Scope and Mechanistic Analysis of the Enantioselective Synthesis of Allenes by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Propargylic Alcohols","Journal of the American Chemical Society","2012","134","","15497","15504","10.1021/ja3061529","","","1.54178","CuKα","","0.0532","0.0455","","","0.1037","0.1116","","","","","","1.007","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118637","5.7202","0.0002","14.8351","0.0006","26.7155","0.0011","90","","90","","90","","2267.07","0.15","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 O3 -","- C27 H30 O3 -","- C108 H120 O12 -","4","1","","Zhanjie Li; Vyacheslav Boyarskikh; Jørn H. Hansen; Jochen Autschbach; Djamaladdin G. Musaev; Huw M. L. Davies","Scope and Mechanistic Analysis of the Enantioselective Synthesis of Allenes by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Propargylic Alcohols","Journal of the American Chemical Society","2012","134","","15497","15504","10.1021/ja3061529","","","1.54178","CuKα","","0.0305","0.0298","","","0.0754","0.0761","","","","","","1.042","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118638","10.984","0.004","15.221","0.004","15.456","0.005","90","","91.546","0.014","90","","2583.1","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O5 S2 -","- C29 H24 N2 O5 S2 -","- C116 H96 N8 O20 S8 -","4","1","","José A. Souto; Peter Becker; Álvaro Iglesias; Kilian Muñiz","Metal-Free Iodine(III)-Promoted Direct Intermolecular C-H Amination Reactions of Acetylenes","Journal of the American Chemical Society","2012","134","","15505","15511","10.1021/ja306211q","","","0.71073","MoKα","","0.0608","0.0436","","","0.1085","0.1196","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118639","8.1755","0.0004","30.358","0.0013","10.0881","0.0005","90","","105.939","0.002","90","","2407.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N O4 S2 -","- C26 H27 N O4 S2 -","- C104 H108 N4 O16 S8 -","4","1","","José A. Souto; Peter Becker; Álvaro Iglesias; Kilian Muñiz","Metal-Free Iodine(III)-Promoted Direct Intermolecular C-H Amination Reactions of Acetylenes","Journal of the American Chemical Society","2012","134","","15505","15511","10.1021/ja306211q","","","0.71073","MoKα","","0.0762","0.0558","","","0.1407","0.1517","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118640","8.9133","0.0004","9.5719","0.0004","13.8983","0.0006","90.866","0.001","91.161","0.001","91.925","0.001","1184.7","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 Fe N O4 S2 -","- C26 H25 Fe N O4 S2 -","- C52 H50 Fe2 N2 O8 S4 -","2","1","","José A. Souto; Peter Becker; Álvaro Iglesias; Kilian Muñiz","Metal-Free Iodine(III)-Promoted Direct Intermolecular C-H Amination Reactions of Acetylenes","Journal of the American Chemical Society","2012","134","","15505","15511","10.1021/ja306211q","","","0.71073","MoKα","","0.034","0.0299","","","0.0785","0.081","","","","","","1.047","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118641","12.4526","0.0011","10.6473","0.001","16.4273","0.0014","90","","101.465","0.003","90","","2134.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O4 S2 -","- C22 H27 N O4 S2 -","- C88 H108 N4 O16 S8 -","4","1","","José A. Souto; Peter Becker; Álvaro Iglesias; Kilian Muñiz","Metal-Free Iodine(III)-Promoted Direct Intermolecular C-H Amination Reactions of Acetylenes","Journal of the American Chemical Society","2012","134","","15505","15511","10.1021/ja306211q","","","0.71073","MoKα","","0.0624","0.0414","","","0.1059","0.1185","","","","","","1.026","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118642","7.1779","0.0002","9.0959","0.0003","16.4089","0.0006","103.475","0.002","100.435","0.002","96.05","0.001","1012.33","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 N O4 S2 -","- C22 H19 N O4 S2 -","- C44 H38 N2 O8 S4 -","2","1","","José A. Souto; Peter Becker; Álvaro Iglesias; Kilian Muñiz","Metal-Free Iodine(III)-Promoted Direct Intermolecular C-H Amination Reactions of Acetylenes","Journal of the American Chemical Society","2012","134","","15505","15511","10.1021/ja306211q","","","0.71073","MoKα","","0.0407","0.0366","","","0.1131","0.1188","","","","","","1.087","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118643","17.704","0.003","17.886","0.002","18.825","0.003","90","","100.905","0.015","90","","5853.4","1.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H68 B Mn N11 -","- C65 H68 B Mn N11 -","- C260 H272 B4 Mn4 N44 -","4","1","","Henning Kropp; Amanda E. King; Marat M. Khusniyarov; Frank W. Heinemann; Kyle M. Lancaster; Serena DeBeer; Eckhard Bill; Karsten Meyer","Manganese Nitride Complexes in Oxidation States III, IV, and V: Synthesis and Electronic Structure","Journal of the American Chemical Society","2012","134","","15538","15544","10.1021/ja306647c","","","0.71073","MoKα","","0.1334","0.0567","","","0.0966","0.117","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118644","12.513","0.003","12.686","0.003","21.618","0.005","77.915","0.004","85.171","0.004","60.516","0.004","2920.3","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H75 B Mn N8 O -","- C66.998 H74.985 B Mn N8 O0.998 -","- C133.996 H149.97 B2 Mn2 N16 O1.996 -","2","1","","Henning Kropp; Amanda E. King; Marat M. Khusniyarov; Frank W. Heinemann; Kyle M. Lancaster; Serena DeBeer; Eckhard Bill; Karsten Meyer","Manganese Nitride Complexes in Oxidation States III, IV, and V: Synthesis and Electronic Structure","Journal of the American Chemical Society","2012","134","","15538","15544","10.1021/ja306647c","","","0.71073","MoKα","","0.1114","0.0594","","","0.1287","0.1515","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118645","17.9947","0.0018","17.9947","0.0018","17.9947","0.0018","90","","90","","90","","5826.8","1","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C57 H63 F12 Mn N8 P2 -","- C57 H63 F12 Mn N8 P2 -","- C228 H252 F48 Mn4 N32 P8 -","4","0.333333","","Henning Kropp; Amanda E. King; Marat M. Khusniyarov; Frank W. Heinemann; Kyle M. Lancaster; Serena DeBeer; Eckhard Bill; Karsten Meyer","Manganese Nitride Complexes in Oxidation States III, IV, and V: Synthesis and Electronic Structure","Journal of the American Chemical Society","2012","134","","15538","15544","10.1021/ja306647c","","","0.71073","MoKα","","0.0614","0.0391","","","0.0795","0.0891","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118646","5.7213","0.0002","23.2071","0.001","9.8994","0.0004","90","","91.14","0.002","90","","1314.13","0.09","147","2","147","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","1","","David A. Candito; Dennis Dobrovolsky; Mark Lautens","Development of an Intramolecular Aryne Ene Reaction and Application to the Formal Synthesis of (\±)-Crinine","Journal of the American Chemical Society","2012","134","","15572","15580","10.1021/ja306881u","","","1.54178","CuKα","","0.0356","0.034","","","0.088","0.0894","","","","","","1.039","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118647","11.332","0.003","21.875","0.005","20.992","0.004","90","","101.644","0.009","90","","5097","2","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Sc@C82Ad-A","Sc@C82Ad-A","","- C94.5 H14 S5 Sc -","- C94.5 H14 S5 Sc -","- C378 H56 S20 Sc4 -","4","1","","Makoto Hachiya; Hidefumi Nikawa; Naomi Mizorogi; Takahiro Tsuchiya; Xing Lu; Takeshi Akasaka","Exceptional Chemical Properties of Sc@C2v(9)-C82 Probed with Adamantylidene Carbene","Journal of the American Chemical Society","2012","134","","15550","15555","10.1021/ja306890x","","","0.71075","MoKα","","0.1076","0.0827","","","0.2109","0.2234","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118648","30.324","0.003","14.1543","0.0004","11.9424","0.0004","90","","112.35","0.02","90","","4740.8","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H34 Co Fe2 N14 O2 -","- C44 H32 Co Fe2 N14 O5 -","- C176 H128 Co4 Fe8 N56 O20 -","4","0.5","","Luminita M. Toma; Catalina Ruiz-Pérez; Jorge Pasán; Wolfgang Wernsdorfer; Francesc Lloret; Miguel Julve","Molecular Engineering To Control the Magnetic Interaction between Single-Chain Magnets Assembled in a Two-Dimensional Network","Journal of the American Chemical Society","2012","134","","15265","15268","10.1021/ja307042z","","x-ray","0.71073","MoKα","","0.1189","0.0794","","","0.2308","0.2576","","","","","","1.004","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118649","30.048","0.003","14.0942","0.0004","11.9188","0.0004","90","","113.29","0.02","90","","4636.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 Co Fe2 N14 O2 -","- C44 H36 Co Fe2 N14 O2 -","- C176 H144 Co4 Fe8 N56 O8 -","4","0.5","","Luminita M. Toma; Catalina Ruiz-Pérez; Jorge Pasán; Wolfgang Wernsdorfer; Francesc Lloret; Miguel Julve","Molecular Engineering To Control the Magnetic Interaction between Single-Chain Magnets Assembled in a Two-Dimensional Network","Journal of the American Chemical Society","2012","134","","15265","15268","10.1021/ja307042z","","x-ray","0.71073","MoKα","","0.1877","0.1401","","","0.2975","0.3246","","","","","","1.064","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118650","12.9869","0.0005","15.2767","0.0006","21.773","0.0009","91.848","0.003","100.505","0.003","91.036","0.003","4243.8","0.3","100","2","100","2","","","","","","","synthesis","7","P -1","-P 1","2","","","","- C86 H83 B Br2 F24 N4 Pt -","- C86 H83 B Br2 F24 N4 Pt -","- C172 H166 B2 Br4 F48 N8 Pt2 -","2","1","","Orestes Rivada-Wheelaghan; Manuel A. Ortuño; Josefina Díez; Sergio E. García-Garrido; Celia Maya; Agustí Lledós; Salvador Conejero","Characterization of a Paramagnetic, Mononuclear Pt(III)-Alkyl Complex Intermediate in Carbon-Halogen Bond Coupling Reactions","Journal of the American Chemical Society","2012","134","","15261","15264","10.1021/ja307139p","","","1.5418","CuKα","","0.079","0.0607","","","0.1532","0.1726","","","","","","1.009","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118651","15.609","0.0006","15.0856","0.0003","33.552","0.0006","90","","101.828","0.002","90","","7732.8","0.4","100","2","100","2","","","","","","","synthesis","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H67 B F24 I2 N4 Pt -","- C78 H67 B F24 I2 N4 Pt -","- C312 H268 B4 F96 I8 N16 Pt4 -","4","1","","Orestes Rivada-Wheelaghan; Manuel A. Ortuño; Josefina Díez; Sergio E. García-Garrido; Celia Maya; Agustí Lledós; Salvador Conejero","Characterization of a Paramagnetic, Mononuclear Pt(III)-Alkyl Complex Intermediate in Carbon-Halogen Bond Coupling Reactions","Journal of the American Chemical Society","2012","134","","15261","15264","10.1021/ja307139p","","","1.5418","CuKα","","0.0809","0.0549","","","0.127","0.1436","","","","","","1.017","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118652","16.7829","0.0005","17.3523","0.0005","18.2034","0.0005","72.456","0.001","79.227","0.001","75.158","0.001","4851.3","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C90 H91 B Br F24 N4 O Pt -","- C90 H91 B Br F24 N4 O Pt -","- C180 H182 B2 Br2 F48 N8 O2 Pt2 -","2","1","","Orestes Rivada-Wheelaghan; Manuel A. Ortuño; Josefina Díez; Sergio E. García-Garrido; Celia Maya; Agustí Lledós; Salvador Conejero","Characterization of a Paramagnetic, Mononuclear Pt(III)-Alkyl Complex Intermediate in Carbon-Halogen Bond Coupling Reactions","Journal of the American Chemical Society","2012","134","","15261","15264","10.1021/ja307139p","","","0.71073","MoKα","","0.0362","0.0297","","","0.0806","0.083","","","","","","1.156","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118653","8.4888","0.0003","23.1287","0.0008","8.6817","0.0003","90","","93.537","0.002","90","","1701.27","0.1","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 Cl2 Cr N4 -","- C12 H28 Cl2 Cr N4 -","- C48 H112 Cl8 Cr4 N16 -","4","0.5","","Atsutoshi Yokoyama; Jung Eun Han; Jaeheung Cho; Minoru Kubo; Takashi Ogura; Maxime A. Siegler; Kenneth D. Karlin; Wonwoo Nam","Chromium(IV)-Peroxo Complex Formation and Its Nitric Oxide Dioxygenase Reactivity","Journal of the American Chemical Society","2012","134","","15269","15272","10.1021/ja307384e","","","0.71073","MoKα","","0.0203","0.0195","","","0.0557","0.0564","","","","","","1.069","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118654","8.747","0.0003","13.3414","0.0004","17.967","0.0006","84.462","0.002","78.305","0.002","87.034","0.002","2042.48","0.12","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H70 Cl4 Cr2 N8 O12 -","- C24 H70 Cl4 Cr2 N8 O12 -","- C48 H140 Cl8 Cr4 N16 O24 -","2","1","","Atsutoshi Yokoyama; Jung Eun Han; Jaeheung Cho; Minoru Kubo; Takashi Ogura; Maxime A. Siegler; Kenneth D. Karlin; Wonwoo Nam","Chromium(IV)-Peroxo Complex Formation and Its Nitric Oxide Dioxygenase Reactivity","Journal of the American Chemical Society","2012","134","","15269","15272","10.1021/ja307384e","","","0.71073","MoKα","","0.0972","0.0497","","","0.1069","0.1256","","","","","","1.024","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118655","9.7456","0.0002","13.1143","0.0003","14.3524","0.0004","90","","90","","90","","1834.33","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 Cl Cr N6 O6 -","- C12 H28 Cl Cr N6 O6 -","- C48 H112 Cl4 Cr4 N24 O24 -","4","1","","Atsutoshi Yokoyama; Jung Eun Han; Jaeheung Cho; Minoru Kubo; Takashi Ogura; Maxime A. Siegler; Kenneth D. Karlin; Wonwoo Nam","Chromium(IV)-Peroxo Complex Formation and Its Nitric Oxide Dioxygenase Reactivity","Journal of the American Chemical Society","2012","134","","15269","15272","10.1021/ja307384e","","","0.71073","MoKα","","0.0471","0.0402","","","0.1137","0.12","","","","","","0.853","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118656","11.7161","0.0005","14.8135","0.0006","23.0484","0.0013","102.478","0.003","92.417","0.003","109.701","0.002","3648.2","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C85 H116 Cl2 N4 Pd2 -","- C70 H98 Cl2 N4 Pd2 -","- C140 H196 Cl4 N8 Pd4 -","2","1","","Patrick S. Hanley; Seth L. Marquard; Thomas R. Cundari; John F. Hartwig","Reductive Elimination of Alkylamines from Low-Valent, Alkylpalladium(II) Amido Complexes","Journal of the American Chemical Society","2012","134","","15281","15284","10.1021/ja307558x","","","1.54178","CuKα","","0.0679","0.0399","","","0.1041","0.1205","","","","","","1.031","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118657","10.517","0.005","22.963","0.011","32.741","0.016","90","","97.774","0.007","90","","7834","7","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C173 H240 N12 Pd4 -","- C168 H228 N12 Pd4 -","- C336 H456 N24 Pd8 -","2","0.5","","Patrick S. Hanley; Seth L. Marquard; Thomas R. Cundari; John F. Hartwig","Reductive Elimination of Alkylamines from Low-Valent, Alkylpalladium(II) Amido Complexes","Journal of the American Chemical Society","2012","134","","15281","15284","10.1021/ja307558x","","","0.71073","MoKα","","0.0791","0.0468","","","0.0979","0.1081","","","","","","1.061","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118658","9.7615","0.0003","13.4772","0.0005","29.0572","0.0013","90","","90","","90","","3822.7","0.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H63 Cl N2 Pd -","- C35 H51 Cl N2 Pd -","- C140 H204 Cl4 N8 Pd4 -","4","1","","Patrick S. Hanley; Seth L. Marquard; Thomas R. Cundari; John F. Hartwig","Reductive Elimination of Alkylamines from Low-Valent, Alkylpalladium(II) Amido Complexes","Journal of the American Chemical Society","2012","134","","15281","15284","10.1021/ja307558x","","","1.54178","CuKα","","0.0694","0.0586","","","0.1453","0.154","","","","","","1.058","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118659","12.8298","0.0003","15.947","0.0003","19.8577","0.0004","90","","108.184","0.001","90","","3859.92","0.14","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H59 N3 O Pd -","- C42.002 H59.007 N3 O Pd -","- C168.008 H236.028 N12 O4 Pd4 -","4","1","","Patrick S. Hanley; Seth L. Marquard; Thomas R. Cundari; John F. Hartwig","Reductive Elimination of Alkylamines from Low-Valent, Alkylpalladium(II) Amido Complexes","Journal of the American Chemical Society","2012","134","","15281","15284","10.1021/ja307558x","","","1.54178","CuKα","","0.0437","0.039","","","0.1023","0.1056","","","","","","1.071","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118660","9.545","0.002","11.803","0.003","13.848","0.004","94.664","0.003","107.251","0.002","106.439","0.003","1405.6","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H24 F3 O3 S Sb -","- C33 H24 F3 O3 S Sb -","- C66 H48 F6 O6 S2 Sb2 -","2","1","","Iou-Sheng Ke; Mykhaylo Myahkostupov; Felix N. Castellano; François P. Gabbaï","Stibonium Ions for the Fluorescence Turn-On Sensing of F-in Drinking Water at Parts per Million Concentrations","Journal of the American Chemical Society","2012","134","","15309","15311","10.1021/ja308194w","","","0.71073","MoKα","","0.0226","0.0211","","","0.0516","0.0523","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118661","9.622","0.004","16.82","0.006","14.745","0.006","90","","92.461","0.004","90","","2384.2","1.6","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 F Sb -","- C32 H24 F Sb -","- C128 H96 F4 Sb4 -","4","1","","Iou-Sheng Ke; Mykhaylo Myahkostupov; Felix N. Castellano; François P. Gabbaï","Stibonium Ions for the Fluorescence Turn-On Sensing of F-in Drinking Water at Parts per Million Concentrations","Journal of the American Chemical Society","2012","134","","15309","15311","10.1021/ja308194w","","","0.71073","MoKα","","0.0558","0.0326","","","0.0666","0.0752","","","","","","1.036","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118662","10.8723","0.0003","13.9019","0.0005","14.4817","0.0004","83.887","0.003","78.634","0.002","86.384","0.003","2131.73","0.11","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H59 Cl O P2 Ru -","- C47 H59 Cl O P2 Ru -","- C94 H118 Cl2 O2 P4 Ru2 -","2","1","","Emmanuel Anger; Monika Srebro; Nicolas Vanthuyne; Loïc Toupet; Stéphane Rigaut; Christian Roussel; Jochen Autschbach; Jeanne Crassous; Régis Réau","Ruthenium-Vinylhelicenes: Remote Metal-Based Enhancement and Redox Switching of the Chiroptical Properties of a Helicene Core","Journal of the American Chemical Society","2012","134","","15628","15631","10.1021/ja304424t","","","0.71073","MoKα","","0.0685","0.0409","","","0.0866","0.0984","","","","","","0.906","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118663","12.1161","0.0002","19.0277","0.0002","35.7678","0.0005","90","","99.739","0.001","90","","8127.1","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H110 Cl10 O2 P4 Ru2 -","- C72 H110 Cl10 O2 P4 Ru2 -","- C288 H440 Cl40 O8 P16 Ru8 -","4","0.5","","Emmanuel Anger; Monika Srebro; Nicolas Vanthuyne; Loïc Toupet; Stéphane Rigaut; Christian Roussel; Jochen Autschbach; Jeanne Crassous; Régis Réau","Ruthenium-Vinylhelicenes: Remote Metal-Based Enhancement and Redox Switching of the Chiroptical Properties of a Helicene Core","Journal of the American Chemical Society","2012","134","","15628","15631","10.1021/ja304424t","","","0.71073","MoKα","","0.0451","0.0299","","","0.069","0.0719","","","","","","1.03","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118664","7.0979","0.0009","13.6258","0.0016","25.324","0.003","90","","92.031","0.002","90","","2447.7","0.5","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Si2 -","- C28 H28 Si2 -","- C112 H112 Si8 -","4","1","","Jordan D. Wood; Jessica L. Jellison; Aaron D. Finke; Lichang Wang; Kyle N. Plunkett","Electron Acceptors Based on Functionalizable Cyclopenta[hi]aceanthrylenes and Dicyclopenta[de,mn]tetracenes","Journal of the American Chemical Society","2012","134","","15783","15789","10.1021/ja304602t","","","0.71073","MoKα","","0.0513","0.0394","","","0.0972","0.1041","","","","","","1.038","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118665","23.453","0.005","37.806","0.008","25.788","0.005","90","","115.1","0.03","90","","20706","9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C179 H179 Cl9 N44 O28 -","- C179 H179 Cl9 N44 O28 -","- C716 H716 Cl36 N176 O112 -","4","1","","Quan Gan; Yann Ferrand; Nagula Chandramouli; Brice Kauffmann; Christophe Aube; Didier Dubreuil; Ivan Huc","Identification of a Foldaxane Kinetic Byproduct during Guest-Induced Single to Double Helix Conversion","Journal of the American Chemical Society","2012","134","","15656","15659","10.1021/ja3064364","","","0.8265","","","0.1773","0.1554","","","0.3787","0.3959","","","","","","1.455","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118666","23.097","0.004","31.196","0.005","40.446","0.006","90","","100.388","0.007","90","","28665","8","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C126 H134 Cl12 N22 O25 -","- C126 H134 Cl12 N22 O25 -","- C1008 H1072 Cl96 N176 O200 -","8","2","","Quan Gan; Yann Ferrand; Nagula Chandramouli; Brice Kauffmann; Christophe Aube; Didier Dubreuil; Ivan Huc","Identification of a Foldaxane Kinetic Byproduct during Guest-Induced Single to Double Helix Conversion","Journal of the American Chemical Society","2012","134","","15656","15659","10.1021/ja3064364","","","1.54178","CuKα","","0.1867","0.1429","","","0.3437","0.391","","","","","","1.802","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118667","6.9951","0.0012","6.9951","0.0012","8.028","0.003","90","","90","","90","","392.82","0.18","273","2","273","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Cr H12 N3 O8 -","- Cr H14 N3 O8 -","- Cr2 H28 N6 O16 -","2","0.125","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal","Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution","Journal of the American Chemical Society","2012","134","","15953","15962","10.1021/ja3065705","","","0.71073","MoKα","","0.0247","0.0247","","","0.0621","0.0621","","","","","","1.253","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118668","9.8893","0.0012","9.889","","8.0326","0.001","90","","90","","90","","785.55","0.14","203","2","203","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cr H12 N3 O8 -","- Cr H12 N3 O8 -","- Cr4 H48 N12 O32 -","4","0.5","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal","Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution","Journal of the American Chemical Society","2012","134","","15953","15962","10.1021/ja3065705","","","0.71073","MoKα","","0.0295","0.0291","","","0.0712","0.0714","","","","","","1.269","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118669","10","2","10.0176","0.001","8.0201","0.001","90.013","0.001","90.008","0.003","90.004","0.002","803","16","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- Cr H12 N3 O8 -","- Cr N3 O8 -","- Cr4 N12 O32 -","4","4","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal","Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution","Journal of the American Chemical Society","2012","134","","15953","15962","10.1021/ja3065705","","","0.71073","MoKα","","0.0601","0.0567","","","0.1569","0.1598","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118670","6.9862","0.0003","6.9862","0.0003","7.9044","0.0006","90","","90","","90","","385.79","0.04","193","2","193","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Cr H8 N2 O8 Rb -","- Cr H8 N1.62 O8 Rb1.38 -","- Cr2 H16 N3.24 O16 Rb2.76 -","2","0.125","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal","Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution","Journal of the American Chemical Society","2012","134","","15953","15962","10.1021/ja3065705","","","0.71073","MoKα","","0.0242","0.0242","","","0.064","0.0641","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118671","7.0386","0.0003","7.0386","0.0003","8.1748","0.0008","90","","90","","90","","405","0.05","173","2","173","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Cr Cs H8 N2 O8 -","- Cr Cs H8 N2 O8 -","- Cr2 Cs2 H16 N4 O16 -","2","0.125","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal","Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution","Journal of the American Chemical Society","2012","134","","15953","15962","10.1021/ja3065705","","","0.71073","MoKα","","0.0122","0.0122","","","0.0308","0.0308","","","","","","1.121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118672","16.395","0.003","28.34","0.005","16.705","0.004","90","","112.733","0.009","90","","7159","3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C83 H46 Cl16 -","- C83 H46 Cl16 -","- C332 H184 Cl64 -","4","0.5","","Qianyan Zhang; Katsuaki Kawasumi; Yasutomo Segawa; Kenichiro Itami; Lawrence T. Scott","Palladium-Catalyzed C-H Activation Taken to the Limit. Flattening an Aromatic Bowl by Total Arylation","Journal of the American Chemical Society","2012","134","","15664","15667","10.1021/ja306992k","","","0.71073","MoKα","","0.1061","0.0508","","","0.1038","0.1236","","","","","","1.018","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118673","12.916","0.002","13.32","0.003","25.385","0.005","100.698","0.009","99.299","0.01","105.796","0.009","4024","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C94 H122 Li4 N4 -","- C94 H122 Li4 N4 -","- C188 H244 Li8 N8 -","2","1","","Daniel A. Evans; Alan H. Cowley","Unique Radical Dearomatization and Two-Electron Reduction of a Redox-Active Ligand","Journal of the American Chemical Society","2012","134","","15672","15675","10.1021/ja307050r","","","0.71069","MoKα","","0.1214","0.0953","","","0.2224","0.2397","","","","","","1.095","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118674","9.841","0.004","25.042","0.008","16.187","0.006","90","","103.111","0.004","90","","3885","2","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H58 N2 -","- C44 H58 N2 -","- C176 H232 N8 -","4","1","","Daniel A. Evans; Alan H. Cowley","Unique Radical Dearomatization and Two-Electron Reduction of a Redox-Active Ligand","Journal of the American Chemical Society","2012","134","","15672","15675","10.1021/ja307050r","","","0.71073","MoKα","","0.088","0.0621","","","0.1465","0.1731","","","","","","1.064","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118675","10.84","0.003","15.555","0.004","23.01","0.006","90","","91.876","0.003","90","","3877.8","1.8","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43.5 H54 N2 O -","- C43.5 H54 N2 O -","- C174 H216 N8 O4 -","4","1","","Daniel A. Evans; Alan H. Cowley","Unique Radical Dearomatization and Two-Electron Reduction of a Redox-Active Ligand","Journal of the American Chemical Society","2012","134","","15672","15675","10.1021/ja307050r","","","0.71075","MoKα","","0.0867","0.0642","","","0.1589","0.1785","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118676","8.9445","0.0003","8.9445","0.0003","20.4004","0.0014","90","","90","","90","","1632.12","0.14","173","2","173","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- C34 H48 N4 Ti2 -","- C34 H48 N4 Ti2 -","- C68 H96 N8 Ti4 -","2","0.125","","Martin Haehnel; Martin Ruhmann; Oliver Theilmann; Subhendu Roy; Torsten Beweries; Perdita Arndt; Anke Spannenberg; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Titanocene Bis(trimethylsilyl)acetylene Complexes with Carbodiimides: An Experimental and Theoretical Study of Complexation versus C-N Bond Activation","Journal of the American Chemical Society","2012","134","","15979","15991","10.1021/ja3070649","","","0.71073","MoKα","","0.0578","0.0462","","","0.1189","0.1242","","","","","","1.11","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118677","9.176","0.007","15.954","0.012","10.588","0.008","90","","111.099","0.015","90","","1446.1","1.9","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C23 H46 N3 Si4 Ti -","- C23 H46 N3 Si4 Ti -","- C46 H92 N6 Si8 Ti2 -","2","1","","Martin Haehnel; Martin Ruhmann; Oliver Theilmann; Subhendu Roy; Torsten Beweries; Perdita Arndt; Anke Spannenberg; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Titanocene Bis(trimethylsilyl)acetylene Complexes with Carbodiimides: An Experimental and Theoretical Study of Complexation versus C-N Bond Activation","Journal of the American Chemical Society","2012","134","","15979","15991","10.1021/ja3070649","","","0.71073","MoKα","","0.0344","0.0287","","","0.0655","0.0678","","","","","","1.012","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118678","8.5462","0.0004","11.2725","0.0006","20.5189","0.001","94.375","0.004","90.937","0.004","94.744","0.004","1963.71","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H44 N3 Ti -","- C38 H44 N3 Ti -","- C76 H88 N6 Ti2 -","2","1","","Martin Haehnel; Martin Ruhmann; Oliver Theilmann; Subhendu Roy; Torsten Beweries; Perdita Arndt; Anke Spannenberg; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Titanocene Bis(trimethylsilyl)acetylene Complexes with Carbodiimides: An Experimental and Theoretical Study of Complexation versus C-N Bond Activation","Journal of the American Chemical Society","2012","134","","15979","15991","10.1021/ja3070649","","","0.71073","MoKα","","0.0738","0.0368","","","0.0558","0.0596","","","","","","0.657","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118679","16.2024","0.0006","10.732","0.0004","16.4713","0.0006","90","","95.448","0.003","90","","2851.16","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 N2 Ti -","- C35 H36 N2 Ti -","- C140 H144 N8 Ti4 -","4","1","","Martin Haehnel; Martin Ruhmann; Oliver Theilmann; Subhendu Roy; Torsten Beweries; Perdita Arndt; Anke Spannenberg; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Titanocene Bis(trimethylsilyl)acetylene Complexes with Carbodiimides: An Experimental and Theoretical Study of Complexation versus C-N Bond Activation","Journal of the American Chemical Society","2012","134","","15979","15991","10.1021/ja3070649","","","0.71073","MoKα","","0.0896","0.0412","","","0.0792","0.0872","","","","","","0.767","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118680","13.694","0.0003","30.0123","0.0006","9.9271","0.0002","90","","101.067","0.001","90","","4004.05","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H60 N2 Ti -","- C47 H60 N2 Ti -","- C188 H240 N8 Ti4 -","4","1","","Martin Haehnel; Martin Ruhmann; Oliver Theilmann; Subhendu Roy; Torsten Beweries; Perdita Arndt; Anke Spannenberg; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Titanocene Bis(trimethylsilyl)acetylene Complexes with Carbodiimides: An Experimental and Theoretical Study of Complexation versus C-N Bond Activation","Journal of the American Chemical Society","2012","134","","15979","15991","10.1021/ja3070649","","","1.54178","CuKα","","0.0555","0.0444","","","0.1146","0.1218","","","","","","1.025","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118681","10.7229","0.0002","16.273","0.0003","16.3219","0.0003","90","","90","","90","","2848.07","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H47 N Ti -","- C32 H47 N Ti -","- C128 H188 N4 Ti4 -","4","1","","Martin Haehnel; Martin Ruhmann; Oliver Theilmann; Subhendu Roy; Torsten Beweries; Perdita Arndt; Anke Spannenberg; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Titanocene Bis(trimethylsilyl)acetylene Complexes with Carbodiimides: An Experimental and Theoretical Study of Complexation versus C-N Bond Activation","Journal of the American Chemical Society","2012","134","","15979","15991","10.1021/ja3070649","","","0.71073","MoKα","","0.0384","0.0348","","","0.0928","0.0955","","","","","","1.056","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118682","5.4494","0.0002","13.956","0.0006","38.3035","0.0016","90","","90","","90","","2913.1","0.2","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N5 -","- C16 H19 N5 -","- C128 H152 N40 -","8","1","","Junyong Jo; Ho Yong Lee; Wenjun Liu; András Olasz; Chun-Hsing Chen; Dongwhan Lee","Reactivity-Based Detection of Copper(II) Ion in Water: Oxidative Cyclization of Azoaromatics as Fluorescence Turn-On Signaling Mechanism","Journal of the American Chemical Society","2012","134","","16000","16007","10.1021/ja307316s","","","0.71073","MoKα","","0.0706","0.0535","","0.1586","0.1289","0.1586","","","","","","0.8702","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118683","7.6002","0.0011","14.786","0.002","26.613","0.004","90","","90","","90","","2990.7","0.7","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N5 -","- C16 H21 N5 -","- C128 H168 N40 -","8","1","","Junyong Jo; Ho Yong Lee; Wenjun Liu; András Olasz; Chun-Hsing Chen; Dongwhan Lee","Reactivity-Based Detection of Copper(II) Ion in Water: Oxidative Cyclization of Azoaromatics as Fluorescence Turn-On Signaling Mechanism","Journal of the American Chemical Society","2012","134","","16000","16007","10.1021/ja307316s","","","0.71073","MoKα","","0.0917","0.0843","","0.1765","0.1617","0.1765","","","","","","1.0759","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118684","11.00084","0.00017","42.3567","0.0006","20.2297","0.0003","90","","90.5529","0.0015","90","","9425.8","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H69 Cl3 Si3 -","- C45 H69 Cl3 Si3 -","- C360 H552 Cl24 Si24 -","8","4","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","1.54184","CuKα","","0.0567","0.0466","","","0.1171","0.1272","","","","","","0.976","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118685","14.9868","0.0005","17.1992","0.0006","17.4782","0.0006","73.888","0.003","83.705","0.003","85.808","0.003","4297.8","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C90 H138 Si6 -","- C90 H138 Si6 -","- C180 H276 Si12 -","2","1","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","1.54184","CuKα","","0.116","0.0871","","","0.2762","0.2868","","","","","","1.047","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118686","24.30088","0.00011","31.59551","0.00013","35.05545","0.00016","90","","106.653","0.0005","90","","25786.6","0.2","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C127.5 H201.5 Si11 -","- C127.5 H201.501 Si11 -","- C1020 H1612.01 Si88 -","8","2","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","1.54184","CuKα","","0.0697","0.063","","","0.1716","0.1767","","","","","","1.025","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118687","22.01215","0.00014","17.63669","0.00011","26.02392","0.00017","90","","95.7157","0.0006","90","","10052.8","0.11","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C99 H159 Cl1.1 Si6 -","- C99 H159 Cl1.1 Si6 -","- C396 H636 Cl4.4 Si24 -","4","0.5","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","1.54184","CuKα","","0.0481","0.0441","","","0.1284","0.1314","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118688","15.1361","0.0004","15.2175","0.0003","17.7339","0.0004","90.6585","0.0018","103.886","0.002","99.861","0.002","3900.84","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H113 I6 Si5 -","- C69 H113 I6 Si5 -","- C138 H226 I12 Si10 -","2","1","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","1.54184","CuKα","","0.0389","0.0288","","","0.0658","0.0698","","","","","","1.002","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118689","33.8021","0.0004","26.3632","0.0003","20.2985","0.0002","90","","97.7245","0.001","90","","17924.5","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C93 H141 Cl2 Si6 -","- C93 H141 Cl2 Si6 -","- C744 H1128 Cl16 Si48 -","8","1","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","0.71073","MoKα","","0.0885","0.0562","","","0.1524","0.1718","","","","","","1.097","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118690","20.1594","0.0005","27.1066","0.0005","33.288","0.0007","90","","97.8871","0.0019","90","","18018.2","0.7","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C93 H145 Cl2 Si6 -","- C93 H145 Cl2 Si6 -","- C744 H1160 Cl16 Si48 -","8","2","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","0.71073","MoKα","","0.1367","0.0722","","","0.1739","0.1871","","","","","","1.069","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118691","14.2467","0.0002","14.8874","0.0003","23.7978","0.0004","89.4263","0.0014","73.4546","0.0013","77.4745","0.0015","4716.05","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H144 Cl4 Si6 -","- C96 H144 Cl4 Si6 -","- C192 H288 Cl8 Si12 -","2","1","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","1.54184","CuKα","","0.0506","0.0429","","","0.1209","0.1267","","","","","","1.048","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118692","15.8205","0.0004","23.724","0.0005","25.8774","0.0008","74.715","0.002","77.767","0.003","78.396","0.002","9046.8","0.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C90.75 H139.75 Cl2 Si6 -","- C90.75 H139.75 Cl2 Si6 -","- C363 H559 Cl8 Si24 -","4","2","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","1.54184","CuKα","","0.184","0.1569","","","0.4608","0.4696","","","","","","1.029","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118693","13.622","0.0006","17.116","0.0008","19.5296","0.0009","101.445","0.002","93.541","0.002","94.14","0.002","4437.7","0.4","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C85.69 H65.3 Bi1.92 Cl6 N8 O13.53 -","- C85.69 H61.535 Bi1.9225 Cl6 N8 O13.535 -","- C171.38 H123.07 Bi3.845 Cl12 N16 O27.07 -","2","1","","Btissam Najjari; Stéphane Le Gac; Thierry Roisnel; Vincent Dorcet; Bernard Boitrel","Metal Migration Processes in Homo- and Heterobimetallic Bismuth(III)-Lead(II) Porphyrin Complexes: Emergence of Allosteric Newton's Cradle-like Devices","Journal of the American Chemical Society","2012","134","","16017","16032","10.1021/ja307349d","","x-ray","0.71073","MoKα","","0.1124","0.0633","","","0.1635","0.1803","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118694","44.3331","0.0012","16.6415","0.0004","31.6038","0.001","90","","115.348","0.001","90","","21071.5","1","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H75 Bi N8 O13 Pb S3 -","- C88 H75 Bi N8 O13 Pb S3 -","- C704 H600 Bi8 N64 O104 Pb8 S24 -","8","1","","Btissam Najjari; Stéphane Le Gac; Thierry Roisnel; Vincent Dorcet; Bernard Boitrel","Metal Migration Processes in Homo- and Heterobimetallic Bismuth(III)-Lead(II) Porphyrin Complexes: Emergence of Allosteric Newton's Cradle-like Devices","Journal of the American Chemical Society","2012","134","","16017","16032","10.1021/ja307349d","","x-ray","0.71073","MoKα","","0.0717","0.0505","","","0.1262","0.1328","","","","","","1.122","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118695","10.9576","0.001","17.286","0.0015","28.76","0.002","90","","90","","90","","5447.5","0.8","90","","90","","","","","","","","","6","P c c n","-P 2ab 2ac","56","Lu3N@C80-SiDep2","","","- C101 H26 Lu3 N S2 Si -","- C101 H26 Lu2.52 N S2 Si -","- C404 H104 Lu10.08 N4 S8 Si4 -","4","0.5","","Kumiko Sato; Masahiro Kako; Mitsuaki Suzuki; Naomi Mizorogi; Takahiro Tsuchiya; Marilyn M. Olmstead; Alan L. Balch; Takeshi Akasaka; Shigeru Nagase","Synthesis of Silylene-Bridged Endohedral Metallofullerene Lu3N@Ih-C80","Journal of the American Chemical Society","2012","134","","16033","16039","10.1021/ja3073929","","","0.71073","MoKα","","0.1221","0.1043","","","0.2339","0.2416","","","","","","1.278","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118696","17.231","0.003","11.579","0.003","8.6962","0.0016","90","","94.863","0.008","90","","1728.8","0.6","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O -","- C22 H22 O -","- C88 H88 O4 -","4","1","","Akira Nishimura; Masato Ohashi; Sensuke Ogoshi","Nickel-Catalyzed Intermolecular [2 + 2] Cycloaddition of Conjugated Enynes with Alkenes","Journal of the American Chemical Society","2012","134","","15692","15695","10.1021/ja3074775","","","1.54187","CuKα","","","0.0585","","","","0.1838","","","","","","1.113","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118697","13.154","0.004","12.91","0.004","27.042","0.008","90","","94.353","0.007","90","","4579","2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 N2 Ni O -","- C50 H68 N2 Ni O -","- C200 H272 N8 Ni4 O4 -","4","1","","Akira Nishimura; Masato Ohashi; Sensuke Ogoshi","Nickel-Catalyzed Intermolecular [2 + 2] Cycloaddition of Conjugated Enynes with Alkenes","Journal of the American Chemical Society","2012","134","","15692","15695","10.1021/ja3074775","","","0.71075","MoKα","","","0.0726","","","","0.1669","","","","","","1.023","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118698","10.666","0.006","16.7757","0.001","27.099","0.016","90","","99.65","0.007","90","","4780","4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H70 N2 Ni O -","- C54 H70 N2 Ni O -","- C216 H280 N8 Ni4 O4 -","4","1","","Akira Nishimura; Masato Ohashi; Sensuke Ogoshi","Nickel-Catalyzed Intermolecular [2 + 2] Cycloaddition of Conjugated Enynes with Alkenes","Journal of the American Chemical Society","2012","134","","15692","15695","10.1021/ja3074775","","","0.71075","MoKα","","","0.0487","","","","0.1304","","","","","","1.056","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118699","9.744","0.0005","10.8","0.0004","14.829","0.0007","77.646","0.003","78.774","0.002","70.101","0.002","1420.71","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30.5 H25.5 Co N6 O0.25 S2 -","- C30.5 H24 Co N6 O0.25 S2 -","- C61 H48 Co2 N12 O0.5 S4 -","2","1","","Julia Vallejo; Isabel Castro; Rafael Ruiz-García; Joan Cano; Miguel Julve; Francesc Lloret; Giovanni De Munno; Wolfgang Wernsdorfer; Emilio Pardo","Field-Induced Slow Magnetic Relaxation in a Six-Coordinate Mononuclear Cobalt(II) Complex with a Positive Anisotropy","Journal of the American Chemical Society","2012","134","","15704","15707","10.1021/ja3075314","","","0.71073","MoKα","","0.1145","0.0504","","","0.132","0.1886","","","","","","0.972","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118700","5.9275","0.0002","22.3693","0.0008","25.6873","0.0009","90","","90","","90","","3406","0.2","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C152 H176 O40 -","8","1","","Hao Wang; Philipp Kohler; Larry E. Overman; K. N. Houk","Origins of Stereoselectivities of Dihydroxylations of cis-Bicyclo[3.3.0]octenes","Journal of the American Chemical Society","2012","134","","16054","16058","10.1021/ja3075538","","","0.71073","MoKα","","0.0456","0.0361","","","0.0901","0.0965","","","","","","1.021","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118701","33.1098","0.0013","33.1098","0.0013","6.3799","0.0003","90","","90","","120","","6057","0.4","88","2","88","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C13 H20 O7 -","- C13 H20 O7 -","- C234 H360 O126 -","18","1","","Hao Wang; Philipp Kohler; Larry E. Overman; K. N. Houk","Origins of Stereoselectivities of Dihydroxylations of cis-Bicyclo[3.3.0]octenes","Journal of the American Chemical Society","2012","134","","16054","16058","10.1021/ja3075538","","","0.71073","MoKα","","0.041","0.0355","","","0.0931","0.0976","","","","","","1.034","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118702","21.5208","0.0008","19.0796","0.0005","22.3223","0.0008","90","","114.517","0.004","90","","8339.3","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C75 H100 O20 -","- C75 H100 O20 -","- C300 H400 O80 -","4","1","","Yong Yao; Min Xue; Jianzhuang Chen; Mingming Zhang; Feihe Huang","An Amphiphilic Pillar[5]arene: Synthesis, Controllable Self-Assembly in Water, and Application in Calcein Release and TNT Adsorption","Journal of the American Chemical Society","2012","134","","15712","15715","10.1021/ja3076617","","","1.54184","CuKα","","0.083","0.0629","","","0.1755","0.1935","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118703","14.0494","0.0009","9.3066","0.0007","26.8708","0.0018","90","","93.007","0.004","90","","3508.6","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 B N2 -","- C17 H31 B N2 -","- C136 H248 B8 N16 -","8","2","","Jeffrey M. Farrell; Jillian A. Hatnean; Douglas W. Stephan","Activation of Hydrogen and Hydrogenation Catalysis by a Borenium Cation","Journal of the American Chemical Society","2012","134","","15728","15731","10.1021/ja307995f","","","0.71073","MoKα","","0.0998","0.0537","","","0.1213","0.1439","","","","","","1.012","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118704","16.1615","0.0004","17.6859","0.0003","17.4851","0.0004","90","","114.772","0.001","90","","4537.89","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47.55 H36.65 B2 Cl0.45 F20 N2 -","- C47.55 H36.65 B2 Cl0.45 F20 N2 -","- C190.2 H146.6 B8 Cl1.8 F80 N8 -","4","1","","Jeffrey M. Farrell; Jillian A. Hatnean; Douglas W. Stephan","Activation of Hydrogen and Hydrogenation Catalysis by a Borenium Cation","Journal of the American Chemical Society","2012","134","","15728","15731","10.1021/ja307995f","","","0.71073","MoKα","","0.0572","0.0479","","","0.1274","0.1357","","","","","","1.02","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118705","7.1212","0.0005","10.1936","0.0006","20.9572","0.0014","90","","95.486","0.003","90","","1514.33","0.17","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C84 H72 N8 O4 -","4","1","","Christian Clavette; Wei Gan; Amanda Bongers; Thomas Markiewicz; Amy B. Toderian; Serge I. Gorelsky; André M. Beauchemin","A Tunable Route for the Synthesis of Azomethine Imines and β-Aminocarbonyl Compounds from Alkenes","Journal of the American Chemical Society","2012","134","","16111","16114","10.1021/ja305491t","","","0.71073","MoKα","","0.0809","0.0523","","","0.1135","0.1262","","","","","","1.052","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118706","9.251","0.0013","10.0419","0.0015","15.538","0.002","90","","90","","90","","1443.4","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Christian Clavette; Wei Gan; Amanda Bongers; Thomas Markiewicz; Amy B. Toderian; Serge I. Gorelsky; André M. Beauchemin","A Tunable Route for the Synthesis of Azomethine Imines and β-Aminocarbonyl Compounds from Alkenes","Journal of the American Chemical Society","2012","134","","16111","16114","10.1021/ja305491t","","","0.71073","MoKα","","0.0573","0.0444","","","0.0972","0.1024","","","","","","1.017","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118707","9.9898","0.0002","11.2967","0.0003","11.9851","0.0003","69.535","0.001","77.957","0.001","87.466","0.001","1238.68","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 N3 O3 -","- C31 H25 N3 O3 -","- C62 H50 N6 O6 -","2","1","","Christian Clavette; Wei Gan; Amanda Bongers; Thomas Markiewicz; Amy B. Toderian; Serge I. Gorelsky; André M. Beauchemin","A Tunable Route for the Synthesis of Azomethine Imines and β-Aminocarbonyl Compounds from Alkenes","Journal of the American Chemical Society","2012","134","","16111","16114","10.1021/ja305491t","","","0.71073","MoKα","","0.0499","0.0406","","","0.1066","0.1139","","","","","","1.015","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118708","12.8722","0.0002","9.6885","0.0001","11.3846","0.0001","90","","90","","90","","1419.8","0.03","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H24 N2 O -","- C15 H24 N2 O -","- C60 H96 N8 O4 -","4","1","","Christian Clavette; Wei Gan; Amanda Bongers; Thomas Markiewicz; Amy B. Toderian; Serge I. Gorelsky; André M. Beauchemin","A Tunable Route for the Synthesis of Azomethine Imines and β-Aminocarbonyl Compounds from Alkenes","Journal of the American Chemical Society","2012","134","","16111","16114","10.1021/ja305491t","","","0.71073","MoKα","","0.0416","0.0346","","","0.0848","0.0895","","","","","","1.023","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118709","12.163","0.001","8.5438","0.0007","16.1345","0.0013","90","","94.225","0.004","90","","1672.1","0.2","94","2","94","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H53 N O5 Si3 -","- C25 H53 N O5 Si3 -","- C50 H106 N2 O10 Si6 -","2","1","","Eric L. Dane; Mark W. Grinstaff","Poly-amido-saccharides: Synthesis via Anionic Polymerization of a β-Lactam Sugar Monomer","Journal of the American Chemical Society","2012","134","","16255","16264","10.1021/ja305900r","","","1.54178","CuKα","","0.1009","0.0713","","","0.1969","0.2065","","","","","","1.069","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118710","15.2916","0.0013","26.09","0.002","26.927","0.003","103.784","0.006","90.188","0.006","99.938","0.005","10265.7","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H108.5 F24 N16.5 O9 P4 -","- C92 H108.5 F24 N16.5 O9 P4 -","- C368 H434 F96 N66 O36 P16 -","4","2","","Albert C. Fahrenbach; Zhixue Zhu; Dennis Cao; Wei-Guang Liu; Hao Li; Sanjeev K. Dey; Subhadeep Basu; Ali Trabolsi; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Radically Enhanced Molecular Switches","Journal of the American Chemical Society","2012","134","","16275","16288","10.1021/ja306044r","","","1.54178","CuKα","","0.1964","0.1049","","","0.2713","0.3438","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118711","17.72","0.007","27.001","0.011","34.238","0.014","90","","90","","90","","16381","11","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H60 Cl9 Er3 N16 O5 -","- C72 H60 Cl9 Er3 N16 O5 -","- C576 H480 Cl72 Er24 N128 O40 -","8","1","","Christine Doffek; Nicola Alzakhem; Caroline Bischof; Jessica Wahsner; Tuba Güden-Silber; Joachim Lügger; Carlos Platas-Iglesias; Michael Seitz","Understanding the Quenching Effects of Aromatic C-H- and C-D-Oscillators in Near-IR Lanthanoid Luminescence","Journal of the American Chemical Society","2012","134","","16413","16423","10.1021/ja307339f","","","0.71073","MoKα","","0.2539","0.1456","","","0.3499","0.4152","","","","","","1.118","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118712","17.768","0.008","26.809","0.011","34.069","0.014","90","","90","","90","","16229","12","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H60 Cl9 N16 O5 Yb3 -","- C72 H60 Cl9 N16 O5 Yb3 -","- C576 H480 Cl72 N128 O40 Yb24 -","8","1","","Christine Doffek; Nicola Alzakhem; Caroline Bischof; Jessica Wahsner; Tuba Güden-Silber; Joachim Lügger; Carlos Platas-Iglesias; Michael Seitz","Understanding the Quenching Effects of Aromatic C-H- and C-D-Oscillators in Near-IR Lanthanoid Luminescence","Journal of the American Chemical Society","2012","134","","16413","16423","10.1021/ja307339f","","","0.71073","MoKα","","0.253","0.1561","","","0.3685","0.4357","","","","","","1.141","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118713","33.6487","0.0007","15.2675","0.0003","20.9931","0.0004","90","","119.316","0.001","90","","9403.6","0.3","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C151 H154 Co6 N50 O30 W4 -","- C151 H154 Co6 N50 O30 W4 -","- C302 H308 Co12 N100 O60 W8 -","2","0.5","","Szymon Chorazy; Koji Nakabayashi; Kenta Imoto; Jacek Mlynarski; Barbara Sieklucka; Shin-ichi Ohkoshi","Conjunction of Chirality and Slow Magnetic Relaxation in the Supramolecular Network Constructed of Crossed Cyano-Bridged CoII-WV Molecular Chains","Journal of the American Chemical Society","2012","134","","16151","16154","10.1021/ja307520k","","","0.71075","MoKα","","0.0546","0.0444","","","0.0853","0.0888","","","","","","1.074","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118714","33.6237","0.0008","15.257","0.0004","21.0243","0.0005","90","","119.317","0.001","90","","9404","0.4","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C152 H154 Co6 N50 O31 W4 -","- C152 H154 Co6 N50 O31 W4 -","- C304 H308 Co12 N100 O62 W8 -","2","0.5","","Szymon Chorazy; Koji Nakabayashi; Kenta Imoto; Jacek Mlynarski; Barbara Sieklucka; Shin-ichi Ohkoshi","Conjunction of Chirality and Slow Magnetic Relaxation in the Supramolecular Network Constructed of Crossed Cyano-Bridged CoII-WV Molecular Chains","Journal of the American Chemical Society","2012","134","","16151","16154","10.1021/ja307520k","","","0.71075","MoKα","","0.0709","0.0493","","","0.0939","0.1022","","","","","","1.023","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118715","18.82","0.004","15.328","0.003","9.379","0.0019","90","","105.31","0.03","90","","2609.6","1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C37 H23 N O -","- C37 H23 N O -","- C148 H92 N4 O4 -","4","1","","Xing Tan; Bingxian Liu; Xiangyu Li; Bin Li; Shansheng Xu; Haibin Song; Baiquan Wang","Rhodium-Catalyzed Cascade Oxidative Annulation Leading to Substituted Naphtho[1,8-bc]pyrans by Sequential Cleavage of C(sp2)-H/C(sp3)-H and C(sp2)-H/O-H Bonds","Journal of the American Chemical Society","2012","134","","16163","16166","10.1021/ja3075242","","","0.71073","MoKα","","0.126","0.0614","","","0.1271","0.1529","","","","","","0.944","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118716","11.351","0.004","13.592","0.003","19.515","0.006","69.758","0.01","89.373","0.017","75.645","0.015","2727.4","1.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H25 N O -","- C38 H25 N O -","- C152 H100 N4 O4 -","4","2","","Xing Tan; Bingxian Liu; Xiangyu Li; Bin Li; Shansheng Xu; Haibin Song; Baiquan Wang","Rhodium-Catalyzed Cascade Oxidative Annulation Leading to Substituted Naphtho[1,8-bc]pyrans by Sequential Cleavage of C(sp2)-H/C(sp3)-H and C(sp2)-H/O-H Bonds","Journal of the American Chemical Society","2012","134","","16163","16166","10.1021/ja3075242","","","0.71073","MoKα","","0.086","0.0562","","","0.0974","0.1074","","","","","","1.102","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118717","11.087","0.002","11.313","0.002","11.699","0.002","94.81","0.03","96.14","0.03","104.89","0.03","1400.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H25 N O2 -","- C38 H25 N O2 -","- C76 H50 N2 O4 -","2","1","","Xing Tan; Bingxian Liu; Xiangyu Li; Bin Li; Shansheng Xu; Haibin Song; Baiquan Wang","Rhodium-Catalyzed Cascade Oxidative Annulation Leading to Substituted Naphtho[1,8-bc]pyrans by Sequential Cleavage of C(sp2)-H/C(sp3)-H and C(sp2)-H/O-H Bonds","Journal of the American Chemical Society","2012","134","","16163","16166","10.1021/ja3075242","","","0.71073","MoKα","","0.1826","0.069","","","0.1593","0.183","","","","","","0.957","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118718","10.942","0.002","11.548","0.002","12.952","0.004","113.694","0.013","95.72","0.03","104.366","0.019","1414.6","0.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H25 N O -","- C41 H25 N O -","- C82 H50 N2 O2 -","2","1","","Xing Tan; Bingxian Liu; Xiangyu Li; Bin Li; Shansheng Xu; Haibin Song; Baiquan Wang","Rhodium-Catalyzed Cascade Oxidative Annulation Leading to Substituted Naphtho[1,8-bc]pyrans by Sequential Cleavage of C(sp2)-H/C(sp3)-H and C(sp2)-H/O-H Bonds","Journal of the American Chemical Society","2012","134","","16163","16166","10.1021/ja3075242","","","0.71073","MoKα","","0.0697","0.0469","","","0.1204","0.1298","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118719","19.948","0.019","5.519","0.005","20.221","0.019","90","","118.718","0.007","90","","1952","3","113","2","113","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H19 N O -","- C27 H19 N O -","- C108 H76 N4 O4 -","4","1","","Xing Tan; Bingxian Liu; Xiangyu Li; Bin Li; Shansheng Xu; Haibin Song; Baiquan Wang","Rhodium-Catalyzed Cascade Oxidative Annulation Leading to Substituted Naphtho[1,8-bc]pyrans by Sequential Cleavage of C(sp2)-H/C(sp3)-H and C(sp2)-H/O-H Bonds","Journal of the American Chemical Society","2012","134","","16163","16166","10.1021/ja3075242","","","0.71073","MoKα","","0.0545","0.0385","","","0.0806","0.0841","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118720","9.1944","0.0019","10.54","0.002","13.496","0.003","110.638","0.01","97.188","0.019","101.563","0.013","1171.5","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H47 Cl3 N2 O2 -","- C59 H47 Cl3.04 N2 O2 -","- C59 H47 Cl3.04 N2 O2 -","1","0.5","","Xing Tan; Bingxian Liu; Xiangyu Li; Bin Li; Shansheng Xu; Haibin Song; Baiquan Wang","Rhodium-Catalyzed Cascade Oxidative Annulation Leading to Substituted Naphtho[1,8-bc]pyrans by Sequential Cleavage of C(sp2)-H/C(sp3)-H and C(sp2)-H/O-H Bonds","Journal of the American Chemical Society","2012","134","","16163","16166","10.1021/ja3075242","","","0.71073","MoKα","","0.0575","0.0431","","","0.1227","0.1304","","","","","","1.012","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118721","15.0915","0.0013","11.3379","0.001","14.117","0.0012","90","","90","","90","","2415.5","0.4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C15 H11 F3 O -","- C15 H11 F3 O -","- C120 H88 F24 O8 -","8","1","","Petr Novák; Anton Lishchynskyi; Vladimir V. Grushin","Trifluoromethylation of α-Haloketones","Journal of the American Chemical Society","2012","134","","16167","16170","10.1021/ja307783w","","","0.71073","MoKα","","0.0548","0.0375","","","0.1175","0.1406","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118722","14.539","0.0012","5.798","0.0006","24.629","0.002","90","","90","","90","","2076.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H9 F3 O -","- C13 H9 F3 O -","- C104 H72 F24 O8 -","8","1","","Petr Novák; Anton Lishchynskyi; Vladimir V. Grushin","Trifluoromethylation of α-Haloketones","Journal of the American Chemical Society","2012","134","","16167","16170","10.1021/ja307783w","","","0.71073","MoKα","","0.0591","0.0419","","","0.1044","0.1138","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118723","14.8625","0.0009","5.8223","0.0003","20.7554","0.0011","90","","90","","90","","1796.05","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H6 Cl F3 O -","- C9 H6 Cl F3 O -","- C72 H48 Cl8 F24 O8 -","8","1","","Petr Novák; Anton Lishchynskyi; Vladimir V. Grushin","Trifluoromethylation of α-Haloketones","Journal of the American Chemical Society","2012","134","","16167","16170","10.1021/ja307783w","","","0.71073","MoKα","","0.0583","0.0476","","","0.1271","0.1368","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118724","8.5746","0.0003","13.0717","0.0004","17.0751","0.0005","78.873","0.003","85.168","0.003","77.155","0.003","1829.18","0.1","123","","123","","","","","","","","see text","7","P -1","-P 1","2","","","","- C60 H98 Cl10 D8 O2 P4 Ru2 -","- C60 H106 Cl10 O2 P4 Ru2 -","- C60 H106 Cl10 O2 P4 Ru2 -","1","0.5","","Michael Linseis; Stanislav Záliš; Manfred Zabel; Rainer F. Winter","Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer","Journal of the American Chemical Society","2012","134","","16671","16692","10.1021/ja3059606","","x-ray","1.54184","CuKα","","0.0503","0.0395","","","0.0991","0.1024","","","","","","0.975","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118725","25.6092","0.0006","8.5106","0.0003","33.7793","0.0009","90","","99.773","0.002","90","","7255.3","0.4","123","","123","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H118 Cl6 O6 P4 Ru2 -","- C62 H118 Cl6 O6 P4 Ru2 -","- C248 H472 Cl24 O24 P16 Ru8 -","4","0.5","","Michael Linseis; Stanislav Záliš; Manfred Zabel; Rainer F. Winter","Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer","Journal of the American Chemical Society","2012","134","","16671","16692","10.1021/ja3059606","","x-ray","1.54184","CuKα","","0.056","0.0459","","","0.121","0.1274","","","","","","1.035","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118726","14.388","0.005","16.147","0.005","16.226","0.005","86.826","0.005","66.919","0.005","83.238","0.005","3443.6","1.9","123","","123","","","","","","","","see text","6","P -1","-P 1","2","","","","- C60 H104 Cl2 O2 P4 Ru2 -","- C60 H104 Cl2 O2 P4 Ru2 -","- C120 H208 Cl4 O4 P8 Ru4 -","2","1","","Michael Linseis; Stanislav Záliš; Manfred Zabel; Rainer F. Winter","Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer","Journal of the American Chemical Society","2012","134","","16671","16692","10.1021/ja3059606","","x-ray","1.5418","CuKα","","0.0582","0.053","","","0.1571","0.1642","","","","","","1.071","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118727","9.2604","0.0011","9.6988","0.0012","10.6668","0.0014","96.074","0.015","114.763","0.014","107.175","0.014","801.5","0.2","123","","123","1","","","","","","","see text","2","P -1","-P 1","2","","","","- C44 H40 -","- C22 H18 -","- C44 H36 -","2","1","","Michael Linseis; Stanislav Záliš; Manfred Zabel; Rainer F. Winter","Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer","Journal of the American Chemical Society","2012","134","","16671","16692","10.1021/ja3059606","","","0.71073","MoKα","","0.0996","0.077","","","0.1913","0.2048","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118728","9.9906","0.0009","16.1232","0.0013","10.7986","0.001","90","","98.644","0.01","90","","1719.7","0.3","123","","123","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C35 H55 Cl O P2 Ru -","- C35 H55 Cl O P2 Ru -","- C70 H110 Cl2 O2 P4 Ru2 -","2","1","","Michael Linseis; Stanislav Záliš; Manfred Zabel; Rainer F. Winter","Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer","Journal of the American Chemical Society","2012","134","","16671","16692","10.1021/ja3059606","","","0.71073","MoKα","","0.0238","0.022","","","0.053","0.0532","","","","","","1.056","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118729","5.8813","0.0002","7.4818","0.0002","27.4863","0.0007","90","","90","","90","","1209.47","0.06","123","","123","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 Br2 -","- C14 H10 Br2 -","- C56 H40 Br8 -","4","1","","Michael Linseis; Stanislav Záliš; Manfred Zabel; Rainer F. Winter","Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer","Journal of the American Chemical Society","2012","134","","16671","16692","10.1021/ja3059606","","x-ray","1.54184","CuKα","","0.0363","0.0273","","","0.0517","0.0529","","","","","","0.907","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118730","9.4506","0.0004","10.3663","0.0005","20.9206","0.001","90","","100.168","0.002","90","","2017.35","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 -","- C28 H22 N2 -","- C112 H88 N8 -","4","1","","Dmitry Tsvelikhovsky; Stephen L. Buchwald","Correction to Synthesis of Heterocycles via Pd-Ligand Controlled Cyclization of 2-Chloro-N-(2-vinyl)aniline: Preparation of Carbazoles, Indoles, Dibenzazepines, and Acridines","Journal of the American Chemical Society","2012","134","","16917","16917","10.1021/ja3066094","","","1.54178","CuKα","","0.0373","0.0363","","","0.091","0.092","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118731","6.4014","0.0003","38.8137","0.0017","10.4638","0.0005","90","","91.734","0.001","90","","2598.7","0.2","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","PZ3-124-p","","","- C33 H38 O -","- C33 H38 O -","- C132 H152 O4 -","4","1","","Richard Vaughan Williams; W. Daniel Edwards; Pengrong Zhang; David J. Berg; Reginald H. Mitchell","Experimental Verification of the Homoaromaticity of 1,3,5-Cycloheptatriene and Evaluation of the Aromaticity of Tropone and the Tropylium Cation by Use of the Dimethyldihydropyrene Probe","Journal of the American Chemical Society","2012","134","","16742","16752","10.1021/ja306868r","","","0.71073","MoKα","","0.0553","0.0437","","","0.1086","0.1163","","","","","","1.024","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118732","15.2931","0.0005","15.5885","0.0004","11.6512","0.0003","90","","110.74","0.001","90","","2597.61","0.13","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 -","- C33 H40 -","- C132 H160 -","4","1","","Richard Vaughan Williams; W. Daniel Edwards; Pengrong Zhang; David J. Berg; Reginald H. Mitchell","Experimental Verification of the Homoaromaticity of 1,3,5-Cycloheptatriene and Evaluation of the Aromaticity of Tropone and the Tropylium Cation by Use of the Dimethyldihydropyrene Probe","Journal of the American Chemical Society","2012","134","","16742","16752","10.1021/ja306868r","","","0.71073","MoKα","","0.1123","0.0512","","","0.1286","0.1599","","","","","","1.024","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118733","10.0094","0.0005","8.1625","0.0004","20.4952","0.0011","90","","103.407","0.002","90","","1628.86","0.14","100","","100","","","","","","","","ethanole","2","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Javier Carreras; Mahendra Patil; Walter Thiel; Manuel Alcarazo","Exploiting the π-Acceptor Properties of Carbene-Stabilized Phosphorus Centered Trications [L3P]3+: Applications in Pt(II) Catalysis","Journal of the American Chemical Society","2012","134","","16753","16758","10.1021/ja306947m","","","1.54178","Cu-Kα","","0.038","0.0348","","","0.0908","0.0931","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118734","7.6774","0.0003","28.5135","0.001","6.5884","0.0002","90","","90","","90","","1442.26","0.09","100","","100","","","","","","","","dichloromethane,ethanole","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 F Si -","- C17 H17 F Si -","- C68 H68 F4 Si4 -","4","1","","Javier Carreras; Mahendra Patil; Walter Thiel; Manuel Alcarazo","Exploiting the π-Acceptor Properties of Carbene-Stabilized Phosphorus Centered Trications [L3P]3+: Applications in Pt(II) Catalysis","Journal of the American Chemical Society","2012","134","","16753","16758","10.1021/ja306947m","","","1.54184","Cu-Kα","","0.0871","0.0868","","","0.1966","0.1967","","","","","","1.212","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118735","12.0407","0.0014","11.2123","0.0012","11.861","0.0016","90","","106.89","0.011","90","","1532.2","0.3","100","","100","","","","","","","","ethanole","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 F3 -","- C23 H13 F3 -","- C92 H52 F12 -","4","1","","Javier Carreras; Mahendra Patil; Walter Thiel; Manuel Alcarazo","Exploiting the π-Acceptor Properties of Carbene-Stabilized Phosphorus Centered Trications [L3P]3+: Applications in Pt(II) Catalysis","Journal of the American Chemical Society","2012","134","","16753","16758","10.1021/ja306947m","","","0.71073","MoKα","","0.1466","0.0704","","","0.1242","0.151","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118736","28.109","0.004","4.5304","0.0006","33.581","0.005","90","","90.356","0.003","90","","4276.3","1","200","","200","","","","","","","","Methyl-t-butylether,ethanole","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 O2 -","- C21 H14 O2 -","- C252 H168 O24 -","12","3","","Javier Carreras; Mahendra Patil; Walter Thiel; Manuel Alcarazo","Exploiting the π-Acceptor Properties of Carbene-Stabilized Phosphorus Centered Trications [L3P]3+: Applications in Pt(II) Catalysis","Journal of the American Chemical Society","2012","134","","16753","16758","10.1021/ja306947m","","","0.71073","Mo-Kα","","0.0638","0.0411","","","0.0978","0.1135","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118737","10.0247","0.0018","14.497","0.003","28.512","0.005","90","","90","","90","","4143.6","1.3","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19.5 H18 F6 N4 S -","- C19.5 H18 F6 N4 S -","- C156 H144 F48 N32 S8 -","8","2","","Yi An Cheng; Tao Chen; Chong Kiat Tan; Jun Jie Heng; Ying-Yeung Yeung","Efficient Medium Ring Size Bromolactonization Using a Sulfur-Based Zwitterionic Organocatalyst","Journal of the American Chemical Society","2012","134","","16492","16495","10.1021/ja307210n","","","0.71073","MoKα","","0.1043","0.0794","","","0.1635","0.1748","","","","","","1.136","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118738","6.2504","0.0002","16.0235","0.0005","12.3864","0.0004","90","","94.204","0.001","90","","1237.2","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 B2 N2 -","- C8 H26 B2 N2 -","- C32 H104 B8 N8 -","4","1","","Erin M. Leitao; Naomi E. Stubbs; Alasdair P. M. Robertson; Holger Helten; Robert J. Cox; Guy C. Lloyd-Jones; Ian Manners","Mechanism of Metal-Free Hydrogen Transfer between Amine-Boranes and Aminoboranes","Journal of the American Chemical Society","2012","134","","16805","16816","10.1021/ja307247g","","","0.71073","MoKα","","0.0501","0.0453","","","0.1225","0.1271","","","","","","1.045","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118739","22.5934","0.0018","24.6867","0.0019","25.301","0.002","90","","116.371","0.001","90","","12643.3","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C133 H192 N2 O20 S U2 -","- C133 H192 N2 O20 S U2 -","- C532 H768 N8 O80 S4 U8 -","4","1","","Oanh P. Lam; Sebastian M. Franke; Frank W. Heinemann; Karsten Meyer","Reactivity of U-E-U (E = S, Se) Toward CO2, CS2, and COS: New Mixed-Carbonate Complexes of the Types U-CO2E-U (E = S, Se), U-CS2E-U (E = O, Se), and U-COSSe-U","Journal of the American Chemical Society","2012","134","","16877","16881","10.1021/ja307539w","","","0.71073","MoKα","","0.073","0.0438","","","0.0984","0.1096","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118740","22.683","0.002","24.772","0.0017","25.456","0.002","90","","116.345","0.006","90","","12818.2","1.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C133 H192 N2 O20.25 Se0.75 U2 -","- C133.004 H192.01 N2 O20.251 Se0.751 U2 -","- C532.016 H768.04 N8 O81.004 Se3.004 U8 -","4","1","","Oanh P. Lam; Sebastian M. Franke; Frank W. Heinemann; Karsten Meyer","Reactivity of U-E-U (E = S, Se) Toward CO2, CS2, and COS: New Mixed-Carbonate Complexes of the Types U-CO2E-U (E = S, Se), U-CS2E-U (E = O, Se), and U-COSSe-U","Journal of the American Chemical Society","2012","134","","16877","16881","10.1021/ja307539w","","","0.71073","MoKα","","0.1331","0.0563","","","0.0985","0.118","","","","","","1.057","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118741","14.098","0.0017","15.452","0.002","28.329","0.002","85.748","0.009","85.341","0.01","70.009","0.009","5773.2","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C123 H167 N2 O13 S2 Se U2 -","- C123 H167 N2 O13 S2.01 Se0.99 U2 -","- C246 H334 N4 O26 S4.02 Se1.98 U4 -","2","1","","Oanh P. Lam; Sebastian M. Franke; Frank W. Heinemann; Karsten Meyer","Reactivity of U-E-U (E = S, Se) Toward CO2, CS2, and COS: New Mixed-Carbonate Complexes of the Types U-CO2E-U (E = S, Se), U-CS2E-U (E = O, Se), and U-COSSe-U","Journal of the American Chemical Society","2012","134","","16877","16881","10.1021/ja307539w","","","0.71073","MoKα","","0.1061","0.0531","","","0.0957","0.1094","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118742","12.9091","0.0008","18.3832","0.0012","24.2368","0.0016","70.309","0.002","75.756","0.002","78.964","0.002","5211.6","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H157 N2 O12 S2 U2 -","- C119 H157 N2 O12 S2 U2 -","- C238 H314 N4 O24 S4 U4 -","2","1","","Oanh P. Lam; Sebastian M. Franke; Frank W. Heinemann; Karsten Meyer","Reactivity of U-E-U (E = S, Se) Toward CO2, CS2, and COS: New Mixed-Carbonate Complexes of the Types U-CO2E-U (E = S, Se), U-CS2E-U (E = O, Se), and U-COSSe-U","Journal of the American Chemical Society","2012","134","","16877","16881","10.1021/ja307539w","","","0.71073","MoKα","","0.056","0.04","","","0.077","0.0814","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118743","12.851","0.002","18.369","0.003","24.729","0.004","103.379","0.003","100.659","0.003","100.116","0.003","5433.5","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C123 H167 N2 O14 S Se U2 -","- C123 H167 N2 O14 S Se U2 -","- C246 H334 N4 O28 S2 Se2 U4 -","2","1","","Oanh P. Lam; Sebastian M. Franke; Frank W. Heinemann; Karsten Meyer","Reactivity of U-E-U (E = S, Se) Toward CO2, CS2, and COS: New Mixed-Carbonate Complexes of the Types U-CO2E-U (E = S, Se), U-CS2E-U (E = O, Se), and U-COSSe-U","Journal of the American Chemical Society","2012","134","","16877","16881","10.1021/ja307539w","","","0.71073","MoKα","","0.1136","0.0878","","","0.1721","0.1773","","","","","","1.692","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118744","11.668","0.004","17.093","0.006","18.174","0.006","64.95","0.005","76.278","0.005","88.581","0.006","3178.2","1.9","173","2","173","2","","","","","","","","5","P 1","P 1","1","ccs27jan11","","","- C104 H212 Li16 N16 O10 -","- C104 H212 Li16 N16 O10 -","- C104 H212 Li16 N16 O10 -","1","1","","Timothy K. Beng; William S. Tyree; Trent Parker; Chicheung Su; Paul G. Williard; Robert E. Gawley","Dynamics of Catalytic Resolution of 2-Lithio-N-Boc-piperidine by Ligand Exchange","Journal of the American Chemical Society","2012","134","","16845","16855","10.1021/ja307796e","","","0.71073","","","0.0923","0.0753","","","0.2011","0.2277","","","","","","1.036","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118745","9.3809","0.0002","18.3068","0.0003","20.857","0.0004","63.132","0.001","77.83","0.001","82.528","0.001","3120.91","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H88 N4 O2 S Zn -","- C70 H80 N4 O S Zn -","- C140 H160 N8 O2 S2 Zn2 -","2","1","","Yusuke Mitsushige; Shigeru Yamaguchi; Byung Sun Lee; Young Mo Sung; Susanne Kuhri; Christoph A. Schierl; Dirk M. Guldi; Dongho Kim; Yutaka Matsuo","Synthesis of Thieno-Bridged Porphyrins: Changing the Antiaromatic Contribution by the Direction of the Thiophene Ring","Journal of the American Chemical Society","2012","134","","16540","16543","10.1021/ja3082999","","","1.54187","CuKα","","0.2124","0.129","","","0.3359","0.4207","","","","","","1.167","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118746","9.3691","0.0002","18.3238","0.0003","20.9081","0.0004","63.18","0.001","77.685","0.001","82.022","0.001","3125.89","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H88 N4 O2 S Zn -","- C70.0722 H80 N4 O S Zn -","- C140.144 H160 N8 O2 S2 Zn2 -","2","1","","Yusuke Mitsushige; Shigeru Yamaguchi; Byung Sun Lee; Young Mo Sung; Susanne Kuhri; Christoph A. Schierl; Dirk M. Guldi; Dongho Kim; Yutaka Matsuo","Synthesis of Thieno-Bridged Porphyrins: Changing the Antiaromatic Contribution by the Direction of the Thiophene Ring","Journal of the American Chemical Society","2012","134","","16540","16543","10.1021/ja3082999","","","1.54187","CuKα","","0.1639","0.1109","","","0.3012","0.3623","","","","","","1.11","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118747","9.8862","0.0003","15.2264","0.0004","19.7875","0.0006","83.203","0.001","85.808","0.002","79.181","0.002","2901.17","0.15","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H58 N5 O2 S Zn -","- C64 H69 N5 O S Zn -","- C128 H138 N10 O2 S2 Zn2 -","2","1","","Yusuke Mitsushige; Shigeru Yamaguchi; Byung Sun Lee; Young Mo Sung; Susanne Kuhri; Christoph A. Schierl; Dirk M. Guldi; Dongho Kim; Yutaka Matsuo","Synthesis of Thieno-Bridged Porphyrins: Changing the Antiaromatic Contribution by the Direction of the Thiophene Ring","Journal of the American Chemical Society","2012","134","","16540","16543","10.1021/ja3082999","","","1.54187","CuKα","","0.1625","0.099","","","0.2548","0.3182","","","","","","0.931","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118748","11.0933","0.001","11.5651","0.0012","14.6276","0.0013","83.478","0.003","77.578","0.002","60.886","0.003","1601.1","0.3","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H26 O4 -","- C17 H26 O4 -","- C68 H104 O16 -","4","2","","Takuya Kochi; Taro Hamasaki; Yuka Aoyama; Junichi Kawasaki; Fumitoshi Kakiuchi","Chain-Walking Strategy for Organic Synthesis: Catalytic Cycloisomerization of 1,n-Dienes","Journal of the American Chemical Society","2012","134","","16544","16547","10.1021/ja308377u","","","0.71075","MoKα","","0.1829","0.0787","","","0.1513","0.2011","","","","","","1.074","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118749","11.667","0.004","24.155","0.008","17.914","0.008","90","","107.131","0.015","90","","4824","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H74 N2 Ru4 -","- C52 H67 N2 Ru4 -","- C208 H268 N8 Ru16 -","4","1","","Shin Takemoto; Yusuke Yamazaki; Takahiro Yamano; Daichi Mashima; Hiroyuki Matsuzaka","Synthesis and N-H Reductive Elimination Study of Dinuclear Ruthenium Imido Dihydride Complexes","Journal of the American Chemical Society","2012","134","","17027","17035","10.1021/ja3005682","","","0.71075","MoKα","","0.1525","0.0772","","","0.1952","0.2364","","","","","","1.043","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118750","12.088","0.004","15.545","0.006","17.205","0.005","105.741","0.012","94.616","0.012","90.083","0.015","3100.7","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H45 N Ru2 -","- C36 H44 N Ru2 -","- C144 H176 N4 Ru8 -","4","2","","Shin Takemoto; Yusuke Yamazaki; Takahiro Yamano; Daichi Mashima; Hiroyuki Matsuzaka","Synthesis and N-H Reductive Elimination Study of Dinuclear Ruthenium Imido Dihydride Complexes","Journal of the American Chemical Society","2012","134","","17027","17035","10.1021/ja3005682","","","0.71075","MoKα","","0.0732","0.043","","","0.0975","0.1137","","","","","","1.061","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118751","9.8111","0.0003","16.9862","0.0005","28.4069","0.0006","90","","92.167","0.002","90","","4730.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N3 P S -","- C29 H24 N3 P S -","- C232 H192 N24 P8 S8 -","8","2","","Charles W. Machan; Mario Adelhardt; Amy A. Sarjeant; Charlotte L. Stern; Jörg Sutter; Karsten Meyer; Chad A. Mirkin","One-Pot Synthesis of an Fe(II) Bis-Terpyridine Complex with Allosterically Regulated Electronic Properties","Journal of the American Chemical Society","2012","134","","16921","16924","10.1021/ja3045019","","","1.54178","CuKα","","0.0763","0.0465","","","0.103","0.1159","","","","","","1.026","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118752","24.3421","0.0005","16.6719","0.0004","51.6817","0.001","90","","90","","90","","20973.9","0.8","100","2","100","2","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C176 H164 Cl5 F42 Fe2 N12 P15 Pt4 S8 -","- C176 H164 Cl5 F42 Fe2 N12 P15 Pt4 S8 -","- C704 H656 Cl20 F168 Fe8 N48 P60 Pt16 S32 -","4","0.5","","Charles W. Machan; Mario Adelhardt; Amy A. Sarjeant; Charlotte L. Stern; Jörg Sutter; Karsten Meyer; Chad A. Mirkin","One-Pot Synthesis of an Fe(II) Bis-Terpyridine Complex with Allosterically Regulated Electronic Properties","Journal of the American Chemical Society","2012","134","","16921","16924","10.1021/ja3045019","","","1.54178","CuKα","","0.1655","0.0845","","","0.2033","0.2341","","","","","","0.973","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118753","23.0433","0.0014","13.5812","0.0009","43.188","0.002","90","","90","","90","","13515.9","1.4","100","2","99.99","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C88 H82 F36 Fe N6 P10 Pt2 S4 -","- C88 H82 F36 Fe N6 P10 Pt2 S4 -","- C352 H328 F144 Fe4 N24 P40 Pt8 S16 -","4","0.5","","Charles W. Machan; Mario Adelhardt; Amy A. Sarjeant; Charlotte L. Stern; Jörg Sutter; Karsten Meyer; Chad A. Mirkin","One-Pot Synthesis of an Fe(II) Bis-Terpyridine Complex with Allosterically Regulated Electronic Properties","Journal of the American Chemical Society","2012","134","","16921","16924","10.1021/ja3045019","","","0.71073","MoKα","","0.1231","0.0715","","","0.1766","0.194","","","","","","1.017","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118754","19.1432","0.001","12.9117","0.0006","18.0593","0.0009","90","","104.07","0.003","90","","4329.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H43 Cl4 N3 P2 Pt S2 -","- C45 H43 Cl4 N3 P2 Pt S2 -","- C180 H172 Cl16 N12 P8 Pt4 S8 -","4","1","","Charles W. Machan; Mario Adelhardt; Amy A. Sarjeant; Charlotte L. Stern; Jörg Sutter; Karsten Meyer; Chad A. Mirkin","One-Pot Synthesis of an Fe(II) Bis-Terpyridine Complex with Allosterically Regulated Electronic Properties","Journal of the American Chemical Society","2012","134","","16921","16924","10.1021/ja3045019","","","0.71073","MoKα","","0.0942","0.0634","","","0.1649","0.1856","","","","","","1.093","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118755","13.9318","0.001","14.0436","0.0009","25.6532","0.0018","90","","98.507","0.004","90","","4963.9","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H43 Cl2 F12 N3 P4 Pt S2 -","- C45 H43 Cl2 F12 N3 P4 Pt S2 -","- C180 H172 Cl8 F48 N12 P16 Pt4 S8 -","4","1","","Charles W. Machan; Mario Adelhardt; Amy A. Sarjeant; Charlotte L. Stern; Jörg Sutter; Karsten Meyer; Chad A. Mirkin","One-Pot Synthesis of an Fe(II) Bis-Terpyridine Complex with Allosterically Regulated Electronic Properties","Journal of the American Chemical Society","2012","134","","16921","16924","10.1021/ja3045019","","","0.71073","MoKα","","0.107","0.0565","","","0.1269","0.1516","","","","","","1.038","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118756","18.4572","0.0006","20.941","0.0018","33.9256","0.0011","81.963","0.002","75.988","0.001","75.426","0.002","12269.6","1.2","100","2","99.99","","","","","","","","","8","P -1","-P 1","2","","","","- C117 H98 Cl2 F24 Fe2 N12 P8 S4 -","- C117 H98 Cl2 F24 Fe2 N12 P8 S4 -","- C468 H392 Cl8 F96 Fe8 N48 P32 S16 -","4","2","","Charles W. Machan; Mario Adelhardt; Amy A. Sarjeant; Charlotte L. Stern; Jörg Sutter; Karsten Meyer; Chad A. Mirkin","One-Pot Synthesis of an Fe(II) Bis-Terpyridine Complex with Allosterically Regulated Electronic Properties","Journal of the American Chemical Society","2012","134","","16921","16924","10.1021/ja3045019","","","1.54184","CUKα","","0.1252","0.0816","","","0.2218","0.2458","","","","","","1.034","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118757","13.3363","0.0008","17.3169","0.0012","19.2559","0.0013","90","","107.706","0.003","90","","4236.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H61 Fe N3 O -","- C49 H61 Fe N3 O -","- C196 H244 Fe4 N12 O4 -","4","1","","Jonathan M. Darmon; S. Chantal E. Stieber; Kevin T. Sylvester; Ignacio Fernández; Emil Lobkovsky; Scott P. Semproni; Eckhard Bill; Karl Wieghardt; Serena DeBeer; Paul J. Chirik","Oxidative Addition of Carbon-Carbon Bonds with a Redox-Active Bis(imino)pyridine Iron Complex","Journal of the American Chemical Society","2012","134","","17125","17137","10.1021/ja306526d","","","0.71073","MoKα","","0.0842","0.0572","","","0.1433","0.1632","","","","","","1.026","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118758","23.457","0.005","11.424","0.005","26.677","0.005","90","","101.426","0.005","90","","7007","4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H43 Fe N3 -","- C44 H43 Fe N3 -","- C352 H344 Fe8 N24 -","8","2","","Jonathan M. Darmon; S. Chantal E. Stieber; Kevin T. Sylvester; Ignacio Fernández; Emil Lobkovsky; Scott P. Semproni; Eckhard Bill; Karl Wieghardt; Serena DeBeer; Paul J. Chirik","Oxidative Addition of Carbon-Carbon Bonds with a Redox-Active Bis(imino)pyridine Iron Complex","Journal of the American Chemical Society","2012","134","","17125","17137","10.1021/ja306526d","","","0.71073","MoKα","","0.059","0.0414","","","0.0922","0.0993","","","","","","1.049","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118759","18.311","0.0006","8.0874","0.0003","25.3857","0.0008","90","","104.61","0.001","90","","3637.8","0.2","150","","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Au N2 O2 P S6 -","- C34 H30 Au N2 O2 P S6 -","- C136 H120 Au4 N8 O8 P4 S24 -","4","0.5","","Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes","Journal of the American Chemical Society","2012","134","","17138","17148","10.1021/ja3065649","","","0.71073","MoKα","","0.0219","0.0162","","","0.0532","0.0782","","","","","","1.418","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118760","17.9569","0.0015","10.796","0.0009","14.222","0.0012","90","","102.209","0.004","90","","2694.8","0.4","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Au N3 O2 S2 Se4 -","- C18 H30 Au N3 O2 S2 Se4 -","- C72 H120 Au4 N12 O8 S8 Se16 -","4","0.5","","Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes","Journal of the American Chemical Society","2012","134","","17138","17148","10.1021/ja3065649","","x-ray","0.71073","MoKα","","0.0506","0.0426","","","0.1246","0.13","","","","","","1.137","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118761","9.5164","0.0007","12.9011","0.0009","10.9576","0.0007","90","","96.033","0.003","90","","1337.84","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Au N3 S4 Se4 -","- C18 H30 Au N3 S4 Se4 -","- C36 H60 Au2 N6 S8 Se8 -","2","0.5","","Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes","Journal of the American Chemical Society","2012","134","","17138","17148","10.1021/ja3065649","","","0.71073","MoKα","","0.0356","0.0298","","","0.0826","0.0852","","","","","","1.178","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118762","14.135","0.003","4.137","0.0011","13.46","0.003","90","","97.14","0.03","90","","781","0.3","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Au N2 O2 S6 -","- C10 H10 Au N2 O2 S6 -","- C20 H20 Au2 N4 O4 S12 -","2","0.5","","Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes","Journal of the American Chemical Society","2012","134","","17138","17148","10.1021/ja3065649","","x-ray","0.71073","MoKα","","0.0648","0.0401","","","0.0986","0.121","","","","","","0.961","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118763","14.7952","0.0003","4.1628","0.0001","13.4493","0.0003","90","","95.717","0.008","90","","824.22","0.03","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Au N2 O2 S2 Se4 -","- C10 H10 Au N2 O2 S2 Se4 -","- C20 H20 Au2 N4 O4 S4 Se8 -","2","0.5","","Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes","Journal of the American Chemical Society","2012","134","","17138","17148","10.1021/ja3065649","","","0.71073","MoKα","","0.0929","0.0548","","","0.1283","0.1554","","","","","","1.074","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118764","14.5116","0.0005","4.0984","0.0003","14.3554","0.0005","90","","92.613","0.004","90","","852.89","0.08","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Au N2 S4 Se4 -","- C10 H10 Au N2 S4 Se4 -","- C20 H20 Au2 N4 S8 Se8 -","2","0.5","","Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes","Journal of the American Chemical Society","2012","134","","17138","17148","10.1021/ja3065649","","","0.71073","MoKα","","0.0272","0.0206","","","0.0393","0.041","","","","","","1.109","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118765","9.768","0.002","15.864","0.003","18.139","0.004","90","","104.84","0.03","90","","2717.1","1","240","1","240","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Motis-209(Manab)","","","- C22 H40 Cl2 N6 Ti -","- C22 H40 Cl2 N6 Ti -","- C88 H160 Cl8 N24 Ti4 -","4","1","","Manab Sharma; Haneen Simaan Yameen; Boris Tumanskii; Sabina-Alexandra Filimon; Matthias Tamm; Moris S. Eisen","Bis(1,3-di-tert-butylimidazolin-2-iminato) Titanium Complexes as Effective Catalysts for the Monodisperse Polymerization of Propylene","Journal of the American Chemical Society","2012","134","","17234","17244","10.1021/ja3071545","","","0.71073","MoKα","","0.0917","0.0441","","","0.0846","0.0929","","","","","","0.863","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118766","8.8826","0.001","10.1582","0.0012","15.4847","0.0018","100.154","0.002","96.555","0.002","108.72","0.002","1280.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Br N5 O4 S -","- C26 H24 Br N5 O4 S -","- C52 H48 Br2 N10 O8 S2 -","2","1","","Johannes Belmar; Raymond L. Funk","Total Synthesis of (\±)-Communesin F via a Cycloaddition with Indol-2-one","Journal of the American Chemical Society","2012","134","","16941","16943","10.1021/ja307277w","","","0.71073","MoKα","","0.0604","0.0474","","","0.1307","0.1394","","","","","","1.043","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118767","15.598","0.006","14.092","0.005","12.888","0.004","90","","99.079","0.01","90","","2797.4","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 N3 O4 -","- C30 H37 N3 O4 -","- C120 H148 N12 O16 -","4","1","","Johannes Belmar; Raymond L. Funk","Total Synthesis of (\±)-Communesin F via a Cycloaddition with Indol-2-one","Journal of the American Chemical Society","2012","134","","16941","16943","10.1021/ja307277w","","","0.71073","MoKα","","0.1352","0.0639","","","0.1335","0.1577","","","","","","1.037","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118768","7.31328","0.00017","13.5237","0.0003","19.3724","0.0004","90","","90","","90","","1915.98","0.07","93.1","","93","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O Si -","- C23 H24 O Si -","- C92 H96 O4 Si4 -","4","1","","Ryo Shintani; Eleanor E. Maciver; Fumiko Tamakuni; Tamio Hayashi","Rhodium-Catalyzed Asymmetric Synthesis of Silicon-Stereogenic Dibenzooxasilines via Enantioselective Transmetalation","Journal of the American Chemical Society","2012","134","","16955","16958","10.1021/ja3076555","","","1.54187","CuKα","","","0.057","","","","0.1199","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118769","9.68805","0.00018","10.08629","0.00018","20.5544","0.0004","90","","99.1108","0.0007","90","","1983.16","0.06","93.1","","93","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H26 O Si -","- C23 H26 O Si -","- C92 H104 O4 Si4 -","4","2","","Ryo Shintani; Eleanor E. Maciver; Fumiko Tamakuni; Tamio Hayashi","Rhodium-Catalyzed Asymmetric Synthesis of Silicon-Stereogenic Dibenzooxasilines via Enantioselective Transmetalation","Journal of the American Chemical Society","2012","134","","16955","16958","10.1021/ja3076555","","","1.54187","CuKα","","","0.0373","","","","0.1064","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118770","10.765","0.004","42.779","0.012","11.074","0.003","90","","112.42","0.009","90","","4714","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H53 N Ni O4 P2 -","- C57 H53 N Ni O4 P2 -","- C228 H212 N4 Ni4 O16 P8 -","4","1","","Kevin T. Sylvester; Kevin Wu; Abigail G. Doyle","Mechanistic Investigation of the Nickel-Catalyzed Suzuki Reaction of N,O-Acetals: Evidence for Boronic Acid Assisted Oxidative Addition and an Iminium Activation Pathway","Journal of the American Chemical Society","2012","134","","16967","16970","10.1021/ja3079362","","","1.54178","CuKα","","0.0544","0.0474","","","0.1173","0.1208","","","","","","1.124","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118771","14.278","0.0005","16.2816","0.0006","17.9728","0.001","103.497","0.003","100.949","0.003","115.919","0.002","3444.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C79 H61 B F15 N Ni O5 P2 -","- C79 H61 B F15 N Ni O5 P2 -","- C158 H122 B2 F30 N2 Ni2 O10 P4 -","2","1","","Kevin T. Sylvester; Kevin Wu; Abigail G. Doyle","Mechanistic Investigation of the Nickel-Catalyzed Suzuki Reaction of N,O-Acetals: Evidence for Boronic Acid Assisted Oxidative Addition and an Iminium Activation Pathway","Journal of the American Chemical Society","2012","134","","16967","16970","10.1021/ja3079362","","","1.54178","CuKα","","0.0651","0.0557","","","0.1574","0.1677","","","","","","1.046","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118772","10.282","0.0001","15.9061","0.0002","16.4165","0.0002","110.974","0.001","94.27","0.001","95.688","0.001","2477.1","0.05","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C51 H44 Cl4 F3 N Ni O6 P2 S -","- C51 H44 Cl4 F3 N Ni O6 P2 S -","- C102 H88 Cl8 F6 N2 Ni2 O12 P4 S2 -","2","1","","Kevin T. Sylvester; Kevin Wu; Abigail G. Doyle","Mechanistic Investigation of the Nickel-Catalyzed Suzuki Reaction of N,O-Acetals: Evidence for Boronic Acid Assisted Oxidative Addition and an Iminium Activation Pathway","Journal of the American Chemical Society","2012","134","","16967","16970","10.1021/ja3079362","","","1.54178","CuKα","","0.0467","0.0438","","","0.1218","0.1246","","","","","","1.028","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118773","26.459","0.005","12.07","0.002","31.234","0.006","90","","90","","90","","9975","3","203","2","203","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C48 H72 B2 Eu O6 -","- C48 H72 B2 Eu O6 -","- C384 H576 B16 Eu8 O48 -","8","1","","Sebastian Marks; Joachim G. Heck; Marija H. Habicht; Pascual Oña-Burgos; Claus Feldmann; Peter W. Roesky","[Ln(BH4)2(THF)2] (Ln = Eu, Yb)-A Highly Luminescent Material. Synthesis, Properties, Reactivity, and NMR Studies","Journal of the American Chemical Society","2012","134","","16983","16986","10.1021/ja308077t","","","0.71073","MoKα","","0.098","0.0603","","","0.1148","0.1304","","","","","","1.136","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118774","11.431","0.002","15.283","0.003","24.648","0.005","90","","90","","90","","4306","1.4","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H60 B2 O5 Yb -","- C44 H60 B2 O5 Yb -","- C176 H240 B8 O20 Yb4 -","4","1","","Sebastian Marks; Joachim G. Heck; Marija H. Habicht; Pascual Oña-Burgos; Claus Feldmann; Peter W. Roesky","[Ln(BH4)2(THF)2] (Ln = Eu, Yb)-A Highly Luminescent Material. Synthesis, Properties, Reactivity, and NMR Studies","Journal of the American Chemical Society","2012","134","","16983","16986","10.1021/ja308077t","","","0.71073","MoKα","","0.0387","0.0302","","","0.0581","0.0594","","","","","","0.891","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118775","10.12","0.002","12.01","0.002","19.092","0.004","80.49","0.03","89.93","0.03","70.13","0.03","2148.5","0.9","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H59 B Eu N2 O2 P2 Si2 -","- C39 H59 B Eu N2 O2 P2 Si2 -","- C78 H118 B2 Eu2 N4 O4 P4 Si4 -","2","1","","Sebastian Marks; Joachim G. Heck; Marija H. Habicht; Pascual Oña-Burgos; Claus Feldmann; Peter W. Roesky","[Ln(BH4)2(THF)2] (Ln = Eu, Yb)-A Highly Luminescent Material. Synthesis, Properties, Reactivity, and NMR Studies","Journal of the American Chemical Society","2012","134","","16983","16986","10.1021/ja308077t","","","0.71073","MoKα","","0.0425","0.0376","","","0.0897","0.0914","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118776","10.104","0.002","11.976","0.002","18.965","0.004","79.88","0.03","89.61","0.03","70.33","0.03","2123.9","0.9","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H59 B N2 O2 P2 Si2 Yb -","- C39 H59 B N2 O2 P2 Si2 Yb -","- C78 H118 B2 N4 O4 P4 Si4 Yb2 -","2","1","","Sebastian Marks; Joachim G. Heck; Marija H. Habicht; Pascual Oña-Burgos; Claus Feldmann; Peter W. Roesky","[Ln(BH4)2(THF)2] (Ln = Eu, Yb)-A Highly Luminescent Material. Synthesis, Properties, Reactivity, and NMR Studies","Journal of the American Chemical Society","2012","134","","16983","16986","10.1021/ja308077t","","","0.71073","MoKα","","0.0527","0.0446","","","0.1072","0.1099","","","","","","0.985","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118777","29.976","0.004","7.7137","0.0011","7.5088","0.001","90","","90","","90","","1736.2","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C72 H100 N4 O20 -","4","1","","Zhi Ren; Fanyang Mo; Guangbin Dong","Catalytic Functionalization of Unactivated sp3 C-H Bonds viaexo-Directing Groups: Synthesis of Chemically Differentiated 1,2-Diols","Journal of the American Chemical Society","2012","134","","16991","16994","10.1021/ja3082186","","","0.71075","MoKα","","0.1412","0.097","","","0.2167","0.2449","","","","","","1.19","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118778","6.8937","0.0012","15.987","0.003","16.978","0.003","90","","101.917","0.004","90","","1830.8","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O3 -","- C19 H29 N O3 -","- C76 H116 N4 O12 -","4","2","","Zhi Ren; Fanyang Mo; Guangbin Dong","Catalytic Functionalization of Unactivated sp3 C-H Bonds viaexo-Directing Groups: Synthesis of Chemically Differentiated 1,2-Diols","Journal of the American Chemical Society","2012","134","","16991","16994","10.1021/ja3082186","","","0.71075","MoKα","","0.094","0.0669","","","0.1347","0.1472","","","","","","1.107","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118779","13.5787","0.0015","5.2656","0.0008","14.435","0.002","90","","91.579","0.004","90","","1031.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H31 N O5 -","- C21 H31 N O5 -","- C42 H62 N2 O10 -","2","1","","Zhi Ren; Fanyang Mo; Guangbin Dong","Catalytic Functionalization of Unactivated sp3 C-H Bonds viaexo-Directing Groups: Synthesis of Chemically Differentiated 1,2-Diols","Journal of the American Chemical Society","2012","134","","16991","16994","10.1021/ja3082186","","","0.71075","MoKα","","0.0568","0.0484","","","0.1113","0.1151","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118780","6.2177","0.0004","12.0255","0.0007","19.413","0.0011","90","","90","","90","","1451.53","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 F2 N O2 S -","- C15 H15 F2 N O2 S -","- C60 H60 F8 N4 O8 S4 -","4","1","","Xiao Shen; Wei Zhang; Chuanfa Ni; Yucheng Gu; Jinbo Hu","Tuning the Reactivity of Difluoromethyl Sulfoximines from Electrophilic to Nucleophilic: Stereoselective Nucleophilic Difluoromethylation of Aryl Ketones","Journal of the American Chemical Society","2012","134","","16999","17002","10.1021/ja308419a","","","0.71073","MoKα","","0.0313","0.0295","","","0.0761","0.0776","","","","","","1.038","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118781","5.9675","0.0012","10.996","0.002","22.753","0.005","90","","90","","90","","1493","0.5","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Br F2 N O2 S -","- C14 H12 Br F2 N O2 S -","- C56 H48 Br4 F8 N4 O8 S4 -","4","1","","Xiao Shen; Wei Zhang; Chuanfa Ni; Yucheng Gu; Jinbo Hu","Tuning the Reactivity of Difluoromethyl Sulfoximines from Electrophilic to Nucleophilic: Stereoselective Nucleophilic Difluoromethylation of Aryl Ketones","Journal of the American Chemical Society","2012","134","","16999","17002","10.1021/ja308419a","","","1.54178","CuKα","","0.0337","0.0333","","","0.0901","0.0905","","","","","","1.052","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118782","9.2084","0.0005","30.7322","0.0018","7.3395","0.0004","90","","96.773","0.001","90","","2062.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O2 S4 -","- C20 H20 N2 O2 S4 -","- C80 H80 N8 O8 S16 -","4","1","","K. C. Nicolaou; Min Lu; Sotirios Totokotsopoulos; Philipp Heretsch; Denis Giguère; Ya-Ping Sun; David Sarlah; Thu H. Nguyen; Ian C. Wolf; Donald F. Smee; Craig W. Day; Selina Bopp; Elizabeth A. Winzeler","Synthesis and Biological Evaluation of Epidithio-, Epitetrathio-, and bis-(Methylthio)diketopiperazines: Synthetic Methodology, Enantioselective Total Synthesis of Epicoccin G, 8,8'-epi-ent-Rostratin B, Gliotoxin, Gliotoxin G, Emethallicin E, and Haematocin and Discovery of New Antiviral and Antimalarial Agents","Journal of the American Chemical Society","2012","134","","17320","17332","10.1021/ja308429f","","","0.71073","MoKα","","0.0528","0.0392","","","0.0914","0.1071","","","","","","1.084","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118783","8.5502","0.0006","7.5474","0.0006","9.7027","0.0007","90","","95.337","0.001","90","","623.42","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C26 H32 N4 O8 -","2","1","","K. C. Nicolaou; Min Lu; Sotirios Totokotsopoulos; Philipp Heretsch; Denis Giguère; Ya-Ping Sun; David Sarlah; Thu H. Nguyen; Ian C. Wolf; Donald F. Smee; Craig W. Day; Selina Bopp; Elizabeth A. Winzeler","Synthesis and Biological Evaluation of Epidithio-, Epitetrathio-, and bis-(Methylthio)diketopiperazines: Synthetic Methodology, Enantioselective Total Synthesis of Epicoccin G, 8,8'-epi-ent-Rostratin B, Gliotoxin, Gliotoxin G, Emethallicin E, and Haematocin and Discovery of New Antiviral and Antimalarial Agents","Journal of the American Chemical Society","2012","134","","17320","17332","10.1021/ja308429f","","","0.71073","MoKα","","0.0317","0.0293","","","0.078","0.0804","","","","","","1.03","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118784","23.0261","0.0018","7.022","0.0006","10.1269","0.0008","90","","102.844","0.001","90","","1596.4","0.2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C72 H72 N8 O16 -","4","1","","K. C. Nicolaou; Min Lu; Sotirios Totokotsopoulos; Philipp Heretsch; Denis Giguère; Ya-Ping Sun; David Sarlah; Thu H. Nguyen; Ian C. Wolf; Donald F. Smee; Craig W. Day; Selina Bopp; Elizabeth A. Winzeler","Synthesis and Biological Evaluation of Epidithio-, Epitetrathio-, and bis-(Methylthio)diketopiperazines: Synthetic Methodology, Enantioselective Total Synthesis of Epicoccin G, 8,8'-epi-ent-Rostratin B, Gliotoxin, Gliotoxin G, Emethallicin E, and Haematocin and Discovery of New Antiviral and Antimalarial Agents","Journal of the American Chemical Society","2012","134","","17320","17332","10.1021/ja308429f","","","0.71073","MoKα","","0.0459","0.0384","","","0.0943","0.1019","","","","","","1.07","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118785","6.602","0.003","10.144","0.005","12.973","0.007","90","","95.204","0.006","90","","865.2","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N3 O6 -","- C15 H21 N3 O6 -","- C30 H42 N6 O12 -","2","1","","K. C. Nicolaou; Min Lu; Sotirios Totokotsopoulos; Philipp Heretsch; Denis Giguère; Ya-Ping Sun; David Sarlah; Thu H. Nguyen; Ian C. Wolf; Donald F. Smee; Craig W. Day; Selina Bopp; Elizabeth A. Winzeler","Synthesis and Biological Evaluation of Epidithio-, Epitetrathio-, and bis-(Methylthio)diketopiperazines: Synthetic Methodology, Enantioselective Total Synthesis of Epicoccin G, 8,8'-epi-ent-Rostratin B, Gliotoxin, Gliotoxin G, Emethallicin E, and Haematocin and Discovery of New Antiviral and Antimalarial Agents","Journal of the American Chemical Society","2012","134","","17320","17332","10.1021/ja308429f","","","0.71073","MoKα","","0.1146","0.0743","","","0.1753","0.2012","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118786","18.482","0.002","5.4608","0.0005","11.513","0.0009","90","","101.623","0.009","90","","1138.14","0.19","293","2","293.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H13 Br O2 -","- C12 H13 Br O2 -","- C48 H52 Br4 O8 -","4","1","","Lin Zhou; Xiaohua Liu; Jie Ji; Yuheng Zhang; Xiaolei Hu; Lili Lin; Xiaoming Feng","Enantioselective Baeyer-Villiger Oxidation: Desymmetrization of Meso Cyclic Ketones and Kinetic Resolution of Racemic 2-Arylcyclohexanones","Journal of the American Chemical Society","2012","134","","17023","17026","10.1021/ja309262f","","","0.7107","MoKα","","0.0584","0.0394","","","0.0658","0.073","","","","","","1.037","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118787","26.5997","0.0015","9.6741","0.0005","31.4984","0.0018","90","","90.3563","0.0006","90","","8105.3","0.8","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H59 Co N5 O7 S3 -","- C37 H59 Co N5 O7 S3 -","- C296 H472 Co8 N40 O56 S24 -","8","1","","David C. Lacy; Young Jun Park; Joseph W. Ziller; Junko Yano; A. S. Borovik","Assembly and Properties of Heterobimetallic CoII/III/CaII Complexes with Aquo and Hydroxo Ligands","Journal of the American Chemical Society","2012","134","","17526","17535","10.1021/ja304525n","","","0.71073","MoKα","","0.0429","0.0328","","","0.0803","0.0853","","","","","","1.028","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4118788","9.4438","0.0004","17.481","0.0007","17.5309","0.0007","73.4591","0.0004","88.5336","0.0004","85.2907","0.0005","2765","0.2","88","2","88","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H69 Ca Co F3 N4 O16 S4 -","- C44 H69 Ca Co F3 N4 O16 S4 -","- C88 H138 Ca2 Co2 F6 N8 O32 S8 -","2","1","","David C. Lacy; Young Jun Park; Joseph W. Ziller; Junko Yano; A. S. Borovik","Assembly and Properties of Heterobimetallic CoII/III/CaII Complexes with Aquo and Hydroxo Ligands","Journal of the American Chemical Society","2012","134","","17526","17535","10.1021/ja304525n","","","0.71073","MoKα","","0.0526","0.0461","","","0.1336","0.1387","","","","","","1.08","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4118789","21.1381","0.0008","9.0319","0.0003","21.2593","0.0008","90","","95.0347","0.0004","90","","4043.1","0.3","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H57 Co N5 O6 S3 -","- C37 H57 Co N5 O6 S3 -","- C148 H228 Co4 N20 O24 S12 -","4","1","","David C. Lacy; Young Jun Park; Joseph W. Ziller; Junko Yano; A. S. Borovik","Assembly and Properties of Heterobimetallic CoII/III/CaII Complexes with Aquo and Hydroxo Ligands","Journal of the American Chemical Society","2012","134","","17526","17535","10.1021/ja304525n","","","0.71073","MoKα","","0.0414","0.0335","","","0.084","0.0886","","","","","","1.035","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118790","11.2366","0.0006","15.2439","0.0007","17.5369","0.0009","71.805","0.0006","84.3928","0.0006","77.3591","0.0006","2783.1","0.2","88","2","88","2","","","","","","","","9","P -1","-P 1","2","","","","- C45 H68 Ca Cl2 Co F3 N4 O15 S4 -","- C45 H68 Ca Cl2 Co F3 N4 O15 S4 -","- C90 H136 Ca2 Cl4 Co2 F6 N8 O30 S8 -","2","1","","David C. Lacy; Young Jun Park; Joseph W. Ziller; Junko Yano; A. S. Borovik","Assembly and Properties of Heterobimetallic CoII/III/CaII Complexes with Aquo and Hydroxo Ligands","Journal of the American Chemical Society","2012","134","","17526","17535","10.1021/ja304525n","","","0.71073","MoKα","","0.0423","0.0346","","","0.0945","0.0996","","","","","","1.035","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4118791","7.6668","0.0004","14.8717","0.0008","17.4049","0.0009","92.56","0.0007","96.5047","0.0007","101.754","0.0007","1925.67","0.18","88","2","88","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H49 Cl2 Co N4 O7 S3 -","- C34 H49 Cl2 Co N4 O7 S3 -","- C68 H98 Cl4 Co2 N8 O14 S6 -","2","1","","David C. Lacy; Young Jun Park; Joseph W. Ziller; Junko Yano; A. S. Borovik","Assembly and Properties of Heterobimetallic CoII/III/CaII Complexes with Aquo and Hydroxo Ligands","Journal of the American Chemical Society","2012","134","","17526","17535","10.1021/ja304525n","","","0.71073","MoKα","","0.0639","0.0382","","","0.0799","0.0894","","","","","","1.016","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4118792","7.7863","0.0012","11.916","0.0019","14.044","0.002","66.302","0.002","82.377","0.002","79.641","0.002","1171.1","0.3","248","2","248","2","","","","","","","","5","P -1","-P 1","2","[Cl2NN]Cu(py)","","","- C22 H18 Cl4 Cu N3 -","- C22 H18 Cl4 Cu N3 -","- C44 H36 Cl8 Cu2 N6 -","2","1","","Raymond T. Gephart; Claire L. McMullin; Nicholas G. Sapiezynski; Eun Sil Jang; Mae Joanne B. Aguila; Thomas R. Cundari; Timothy H. Warren","Reaction of CuIwith Dialkyl Peroxides: CuII-Alkoxides, Alkoxy Radicals, and Catalytic C-H Etherification","Journal of the American Chemical Society","2012","134","","17350","17353","10.1021/ja3053688","","","0.71073","MoKα","","0.0556","0.0456","","","0.1335","0.139","","","","","","1.068","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118793","15.735","0.002","8.2314","0.0011","27.148","0.004","90","","104.291","0.002","90","","3407.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cl2NNCu]-OCMe2Ph","","","- C35 H35 Cl4 Cu N2 O2 -","- C35 H35 Cl4 Cu N2 O2 -","- C140 H140 Cl16 Cu4 N8 O8 -","4","1","","Raymond T. Gephart; Claire L. McMullin; Nicholas G. Sapiezynski; Eun Sil Jang; Mae Joanne B. Aguila; Thomas R. Cundari; Timothy H. Warren","Reaction of CuIwith Dialkyl Peroxides: CuII-Alkoxides, Alkoxy Radicals, and Catalytic C-H Etherification","Journal of the American Chemical Society","2012","134","","17350","17353","10.1021/ja3053688","","","0.71073","MoKα","","0.0869","0.0475","","","0.088","0.097","","","","","","0.993","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118794","16.6","0.0017","16.6","0.0017","7.1395","0.0007","90","","90","","90","","1967.4","0.3","293","2","293","2","","","100","","","","","3","P -4","P -4","81","tetra-(4-(7-norbonadienyl)-phenyl)-silan","tetra-(4-(7-norbonadienyl)-phenyl)-silan","","- C52 H44 Si -","- C52 H44 Si -","- C104 H88 Si2 -","2","0.5","","Ulrich Stoeck; Georg Nickerl; Ulrich Burkhardt; Irena Senkovska; Stefan Kaskel","Modular Construction of a Porous Organometallic Network Based on Rhodium Olefin Complexation","Journal of the American Chemical Society","2012","134","","17335","17337","10.1021/ja305482a","","x-ray","0.71073","MoKα","","0.1267","0.0542","","","0.1069","0.1337","","","","","","0.893","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118795","28.326","0.006","33.526","0.007","38.772","0.008","82.52","0.03","70.34","0.03","66.11","0.03","31702","15","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C456 H576 Cu24 O118 Si24 -","- C456 H576 Cu24 O118 Si24 -","- C912 H1152 Cu48 O236 Si48 -","2","1","","Tian-Fu Liu; Ying-Pin Chen; Andrey A. Yakovenko; Hong-Cai Zhou","Interconversion between Discrete and a Chain of Nanocages: Self-Assembly via a Solvent-Driven, Dimension-Augmentation Strategy","Journal of the American Chemical Society","2012","134","","17358","17361","10.1021/ja306150x","","","0.71073","MoKα","","0.1632","0.0942","","","0.214","0.2333","","","","","","1.014","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118796","23.318","0.004","7.5855","0.0007","10.579","0.0013","90","","101.398","0.013","90","","1834.3","0.4","144.9","","144.9","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H21 Br O4 -","- C20 H21 Br O4 -","- C80 H84 Br4 O16 -","4","1","","Ke Zheng; Xiaohua Liu; Song Qin; Mingsheng Xie; Lili Lin; Changwei Hu; Xiaoming Feng","Completely OH-Selective FeCl3-Catalyzed Prins Cyclization: Highly Stereoselective Synthesis of 4-OH-Tetrahydropyrans","Journal of the American Chemical Society","2012","134","","17564","17573","10.1021/ja3062002","","","0.7107","MoKα","","0.0469","0.0391","","","0.0614","0.0667","","","","","","1.009","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118797","10.6122","0.0003","11.6784","0.0004","12.4269","0.0004","90","","100.647","0.002","90","","1513.6","0.08","143","1","143","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 Cl N O2 S -","- C13 H20 Cl N O2 S -","- C52 H80 Cl4 N4 O8 S4 -","4","1","","Gretchen R. Stanton; Per-Ola Norrby; Patrick J. Carroll; Patrick J. Walsh","Chelation-Controlled Addition of Organozincs to α-Chloro Aldimines","Journal of the American Chemical Society","2012","134","","17599","17604","10.1021/ja306781z","","","0.71073","MoKα","","0.0368","0.0336","","","0.0897","0.093","","","","","","1.043","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118798","12.9922","0.0006","7.2462","0.0003","21.1428","0.0011","90","","102.75","0.002","90","","1941.39","0.16","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl N O2 S -","- C20 H24 Cl N O2 S -","- C80 H96 Cl4 N4 O8 S4 -","4","1","","Gretchen R. Stanton; Per-Ola Norrby; Patrick J. Carroll; Patrick J. Walsh","Chelation-Controlled Addition of Organozincs to α-Chloro Aldimines","Journal of the American Chemical Society","2012","134","","17599","17604","10.1021/ja306781z","","","0.71073","MoKα","","0.0367","0.0342","","","0.091","0.0925","","","","","","1.164","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118799","14.41336","0.0001","14.41336","","14.41336","","90","","90","","90","","2994.3","0.02","298","","298","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- Al0.1 Na0.09 O Si0.4 -","- Al0.1 Na0.0948908 O Si0.4 -","- Al9.6 Na9.10952 O96 Si38.4 -","96","2","","Magdalena M. Lozinska; Enzo Mangano; John P. S. Mowat; Ashley M. Shepherd; Russell F. Howe; Stephen P. Thompson; Julia E. Parker; Stefano Brandani; Paul A. Wright","Understanding Carbon Dioxide Adsorption on Univalent Cation Forms of the Flexible Zeolite Rho at Conditions Relevant to Carbon Capture from Flue Gases","Journal of the American Chemical Society","2012","134","","17628","17642","10.1021/ja3070864","powder diffraction","x-ray","0.827159","synchrotron","","","","","","","","0.06993","","1.53","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4118800","14.62823","0.00006","14.62823","","14.62823","","90","","90","","90","","3130.22","0.013","298","","298","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C0.11 Al0.1 Na0.1 O1.21 Si0.4 -","- C0.105255 Al0.1 Na0.0958333 O1.21051 Si0.4 -","- C10.1045 Al9.6 Na9.2 O116.209 Si38.4 -","96","2","","Magdalena M. Lozinska; Enzo Mangano; John P. S. Mowat; Ashley M. Shepherd; Russell F. Howe; Stephen P. Thompson; Julia E. Parker; Stefano Brandani; Paul A. Wright","Understanding Carbon Dioxide Adsorption on Univalent Cation Forms of the Flexible Zeolite Rho at Conditions Relevant to Carbon Capture from Flue Gases","Journal of the American Chemical Society","2012","134","","17628","17642","10.1021/ja3070864","powder diffraction","x-ray","0.827159","synchrotron","","","","","","","","0.07395","","2.43","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4118801","12.0762","0.0008","13.2664","0.0008","15.0653","0.0011","80.999","0.006","71.602","0.005","83.461","0.006","2256.6","0.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","5,5-difluoro-3-((E)-2-(4'-hexyl-[2,2'-bithiophen]-5-yl)vinyl)-7- ((E)-2-(5-hexyl-[2,3'-bithiophen]-5'-yl) vinyl)-10-(4-iodophenyl)-1,9-dimethyl-5H-dipyrrolo[1,2-c:2',1'-f] [1,3,2]diazaborinin-4-ium-5-uide","","- C49 H50 B F2 I N2 S4 -","- C49 H50 B F2 I N2 S4 -","- C98 H100 B2 F4 I2 N4 S8 -","2","1","","Thomas Bura; Nicolas Leclerc; Sadiara Fall; Patrick Lévêque; Thomas Heiser; Pascal Retailleau; Sandra Rihn; Antoine Mirloup; Raymond Ziessel","High-Performance Solution-Processed Solar Cells and Ambipolar Behavior in Organic Field-Effect Transistors with Thienyl-BODIPY Scaffoldings","Journal of the American Chemical Society","2012","134","","17404","17407","10.1021/ja3072513","","","1.54187","CuKα","","0.094","0.061","","","0.1327","0.1658","","","","","","1.115","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118802","10.5783","0.0014","12.3288","0.0017","17.236","0.002","90","","93.714","0.002","90","","2243.2","0.5","195","2","195","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 N12 O4 Zn2 -","- C14 H24 N12 O4 Zn2 -","- C56 H96 N48 O16 Zn8 -","4","1","","Pei-Qin Liao; Dong-Dong Zhou; Ai-Xin Zhu; Lu Jiang; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Strong and Dynamic CO2 Sorption in a Flexible Porous Framework Possessing Guest Chelating Claws","Journal of the American Chemical Society","2012","134","","17380","17383","10.1021/ja3073512","","","0.71073","MoKα","","0.0395","0.0334","","","0.0937","0.0985","","","","","","1.03","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118803","10.7032","0.0011","12.319","0.0012","17.0785","0.0017","90","","95.532","0.002","90","","2241.4","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N12 Zn2 -","- C14 H16 N12 Zn2 -","- C56 H64 N48 Zn8 -","4","1","","Pei-Qin Liao; Dong-Dong Zhou; Ai-Xin Zhu; Lu Jiang; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Strong and Dynamic CO2 Sorption in a Flexible Porous Framework Possessing Guest Chelating Claws","Journal of the American Chemical Society","2012","134","","17380","17383","10.1021/ja3073512","","","0.71073","MoKα","","0.0363","0.032","","","0.0861","0.0904","","","","","","1.035","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118804","10.68","0.003","12.356","0.003","17.104","0.005","90","","95.47","0.004","90","","2246.8","1.1","195","2","195","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N12 Zn2 -","- C14 H16 N12 Zn2 -","- C56 H64 N48 Zn8 -","4","1","","Pei-Qin Liao; Dong-Dong Zhou; Ai-Xin Zhu; Lu Jiang; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Strong and Dynamic CO2 Sorption in a Flexible Porous Framework Possessing Guest Chelating Claws","Journal of the American Chemical Society","2012","134","","17380","17383","10.1021/ja3073512","","","0.71073","MoKα","","0.0493","0.0359","","","0.0885","0.0965","","","","","","1.054","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118805","10.665","0.001","12.4195","0.0012","17.1416","0.0016","90","","95.38","0.001","90","","2260.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N12 Zn2 -","- C14 H16 N12 Zn2 -","- C56 H64 N48 Zn8 -","4","1","","Pei-Qin Liao; Dong-Dong Zhou; Ai-Xin Zhu; Lu Jiang; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Strong and Dynamic CO2 Sorption in a Flexible Porous Framework Possessing Guest Chelating Claws","Journal of the American Chemical Society","2012","134","","17380","17383","10.1021/ja3073512","","","0.71073","MoKα","","0.0423","0.0307","","","0.0806","0.0878","","","","","","1.031","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118806","10.6825","0.0013","12.3388","0.0015","17.126","0.002","90","","95.447","0.002","90","","2247.2","0.5","195","2","195","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.07 H16 N12 O0.15 Zn2 -","- C14.073 H16 N12 O0.146 Zn2 -","- C56.292 H64 N48 O0.584 Zn8 -","4","1","","Pei-Qin Liao; Dong-Dong Zhou; Ai-Xin Zhu; Lu Jiang; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Strong and Dynamic CO2 Sorption in a Flexible Porous Framework Possessing Guest Chelating Claws","Journal of the American Chemical Society","2012","134","","17380","17383","10.1021/ja3073512","","","0.71073","MoKα","","0.0391","0.0298","","","0.078","0.0839","","","","","","1.025","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118807","10.8291","0.0017","12.529","0.002","16.848","0.003","90","","94.993","0.003","90","","2277.2","0.7","195","2","195","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15.51 H16 N12 O3.02 Zn2 -","- C15.511 H16 N12 O3.022 Zn2 -","- C62.044 H64 N48 O12.088 Zn8 -","4","1","","Pei-Qin Liao; Dong-Dong Zhou; Ai-Xin Zhu; Lu Jiang; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Strong and Dynamic CO2 Sorption in a Flexible Porous Framework Possessing Guest Chelating Claws","Journal of the American Chemical Society","2012","134","","17380","17383","10.1021/ja3073512","","","0.71073","MoKα","","0.0496","0.0432","","","0.1186","0.1225","","","","","","1.025","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118808","10.877","0.005","12.829","0.006","16.881","0.008","90","","94.445","0.006","90","","2348.5","1.9","195","2","195","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16.8 H16 N12 O5.6 Zn2 -","- C16.8 H16 N12 O5.6 Zn2 -","- C67.2 H64 N48 O22.4 Zn8 -","4","1","","Pei-Qin Liao; Dong-Dong Zhou; Ai-Xin Zhu; Lu Jiang; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Strong and Dynamic CO2 Sorption in a Flexible Porous Framework Possessing Guest Chelating Claws","Journal of the American Chemical Society","2012","134","","17380","17383","10.1021/ja3073512","","","0.71073","MoKα","","0.0523","0.0447","","","0.1221","0.1275","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118809","18.1681","0.0006","16.4128","0.0007","22.4646","0.0008","90","","116.419","0.002","90","","5999.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H42 F6 O6 P2 Pd S2 -","- C21 H42 F6 O6 P2 Pd S2 -","- C168 H336 F48 O48 P16 Pd8 S16 -","8","2","","Philipp Roesle; Christoph J. Dürr; Heiko M. Möller; Luigi Cavallo; Lucia Caporaso; Stefan Mecking","Mechanistic Features of Isomerizing Alkoxycarbonylation of Methyl Oleate","Journal of the American Chemical Society","2012","134","","17696","17703","10.1021/ja307411p","","","0.71073","MoKα","","0.0806","0.0727","","","0.162","0.1646","","","","","","1.33","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118810","11.1756","0.0003","12.7568","0.0003","14.323","0.0007","90","","90","","90","","2041.96","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H31 Au Cl P S -","- C18 H31 Au Cl P S -","- C72 H124 Au4 Cl4 P4 S4 -","4","1","","Yingdong Luo; Kegong Ji; Yuxue Li; Liming Zhang","Tempering the Reactivities of Postulated α-Oxo Gold Carbenes Using Bidentate Ligands: Implication of Tricoordinated Gold Intermediates and the Development of an Expedient Bimolecular Assembly of 2,4-Disubstituted Oxazoles","Journal of the American Chemical Society","2012","134","","17412","17415","10.1021/ja307948m","","","0.71073","MoKα","","0.0253","0.0229","","","0.0491","0.0497","","","","","","1.022","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118811","20.709","0.003","12.9232","0.0018","23.009","0.003","90","","90","","90","","6157.8","1.5","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H16 Br4 Cl4 O3 -","- C30 H20 Br4 Cl4 O3 -","- C240 H160 Br32 Cl32 O24 -","8","1","","Hiroki Takezawa; Takashi Murase; Makoto Fujita","Temporary and Permanent Trapping of the Metastable Twisted Conformer of an Overcrowded Chromic Alkene via Encapsulation","Journal of the American Chemical Society","2012","134","","17420","17423","10.1021/ja308101a","","","0.71073","MoKα","","0.0672","0.0405","","","0.0721","0.0838","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118812","10.3442","0.0004","12.3935","0.0004","14.0201","0.0005","107.678","0.002","90.213","0.002","112.531","0.002","1567.01","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(4Z,5Z)-5-[bis(trimethylsilyl)hydrazin-1-ylidene]-1,3-bis(trimethylsilyl)-4- (2-trimethylsilyl)hydrazin-1-ylidene)pyrazole","","- C18 H46 N6 Si5 -","- C18 H46 N6 Si5 -","- C36 H92 N12 Si10 -","2","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0837","0.0507","","","0.1109","0.1211","","","","","","1.048","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118813","9.3503","0.0003","12.6572","0.0004","12.7666","0.0004","117.845","0.001","110.488","0.001","91.987","0.001","1215.12","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(trimethylsilyl)diazomethane","","- C7 H18 N2 Si2 -","- C7 H18 N2 Si2 -","- C28 H72 N8 Si8 -","4","2","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0493","0.0388","","","0.1035","0.108","","","","","","1.052","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118814","14.3146","0.0017","14.1503","0.0017","23.972","0.003","90","","90","","90","","4855.7","1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N-bis(trimethylsilyl)aminoisonitrile","","- C7 H18 N2 Si2 -","- C7 H18 N2 Si2 -","- C112 H288 N32 Si32 -","16","2","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0782","0.0415","","","0.0963","0.1071","","","","","","1.022","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118815","16.8725","0.0009","12.8944","0.0007","19.1131","0.0011","90","","104.297","0.002","90","","4029.5","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N,N-bis(trimethylsilyl)amino-trimethylsilylisonitrilium tetrakis(pentafluorophenyl)borate","","- C34 H27 B F20 N2 Si3 -","- C34 H27 B F20 N2 Si3 -","- C136 H108 B4 F80 N8 Si12 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0665","0.042","","","0.1118","0.1216","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118816","10.7784","0.0004","13.0786","0.0006","12.4834","0.0005","90","","107.655","0.002","90","","1676.86","0.12","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N,N-bis(trimethylsilyl)amino-trimethylsilylisonitrilium closo-7,8,9,10,11,12-hexabromocarboranate","","- C11 H33 B11 Br6 N2 Si3 -","- C11 H33 B11 Br6 N2 Si3 -","- C22 H66 B22 Br12 N4 Si6 -","2","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0633","0.0351","","","0.0634","0.0709","","","","","","0.975","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118817","16.8136","0.0004","12.8837","0.0003","19.1298","0.0005","90","","104.172","0.001","90","","4017.8","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N,N-bis(trimethylsilyl)amino-N-(trimethylsilyl)nitrilium tetrakis(pentafluorophenyl)borate","","- C34 H27 B F20 N2 Si3 -","- C34 H27 B F20 N2 Si3 -","- C136 H108 B4 F80 N8 Si12 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0654","0.0385","","","0.0992","0.1078","","","","","","1.061","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118818","17.1527","0.0007","17.3935","0.0007","16.4602","0.0007","90","","99.545","0.002","90","","4842.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H33 B F20 N2 Si2 -","- C50 H33 B F20 N2 Si2 -","- C200 H132 B4 F80 N8 Si8 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.1238","0.0471","","","0.0797","0.1048","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118819","11.0271","0.0004","11.5575","0.0004","12.7306","0.0005","72.3","0.002","65.855","0.002","82.876","0.002","1410.43","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","bis(trimethylsilyl)aminoisonitrile tris(pentafluorophenyl)borane adduct","","- C25 H18 B F15 N2 Si2 -","- C25 H18 B F15 N2 Si2 -","- C50 H36 B2 F30 N4 Si4 -","2","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.042","0.0341","","","0.1001","0.1043","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118820","11.0352","0.0005","11.5683","0.0005","12.7373","0.0006","72.303","0.002","65.866","0.002","82.875","0.002","1413.67","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","bis(trimethylsilyl)aminoisonitrile tris(pentafluorophenyl)borane adduct","","- C25 H18 B F15 N2 Si2 -","- C25 H18 B F15 N2 Si2 -","- C50 H36 B2 F30 N4 Si4 -","2","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0853","0.0451","","","0.1002","0.1116","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118821","11.9027","0.0006","13.7351","0.0007","21.8917","0.0011","84.898","0.002","86.585","0.002","79.752","0.002","3504.4","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4-(trimethylsilyl)diazenyl-3-[N,N',N'-tris(trimethylsilyl)]hydrazinyl- 1H-pyrazole","","- C21 H54 N6 Si6 -","- C21 H54 N6 Si6 -","- C84 H216 N24 Si24 -","4","2","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0827","0.0485","","","0.1238","0.1347","","","","","","1.073","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118822","11.5287","0.0004","12.7713","0.0004","13.9033","0.0005","96.101","0.002","108.397","0.002","92.853","0.002","1923.91","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4-(trimethylsilyl)diazenyl-3-[N,N',N'-tris(trimethylsilyl)]hydrazinyl- 1H-pyrazole n-hexane hemisolvate","","- C24 H61 N6 Si6 -","- C24 H61 N6 Si6 -","- C48 H122 N12 Si12 -","2","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0758","0.0434","","","0.1149","0.1251","","","","","","1.069","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118823","11.7738","0.0005","12.8782","0.0006","13.945","0.0006","95.703","0.002","104.49","0.002","94.198","0.002","2026.44","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-(trimethylsilyl)diazenyl-3-[N,N',N'-tris(trimethylsilyl)]hydrazinyl- 1H-pyrazole hexamethyldisiloxane hemisolvate","","- C24 H63 N6 O0.5 Si7 -","- C24 H63 N6 O0.5 Si7 -","- C48 H126 N12 O Si14 -","2","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0622","0.0393","","","0.1076","0.1161","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118824","21.273","0.0003","11.9713","0.0002","17.7886","0.0002","90","","99.588","0.001","90","","4466.86","0.11","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C43 H46 O10 -","- C43 H46 O10 -","- C172 H184 O40 -","4","1","","Nathan L. Strutt; David Fairen-Jimenez; Julien Iehl; Marianne B. Lalonde; Randall Q. Snurr; Omar K. Farha; Joseph T. Hupp; J. Fraser Stoddart","Incorporation of an A1/A2-Difunctionalized Pillar[5]arene into a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","17436","17439","10.1021/ja3082523","","","1.54178","CuKα","","0.0684","0.0645","","","0.2009","0.2036","","","","","","0.954","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118825","14.5211","0.0002","34.3107","0.0004","11.8765","0.0001","90","","97.264","0.001","90","","5869.73","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H61 N O13 -","- C60 H61 N O13 -","- C240 H244 N4 O52 -","4","1","","Nathan L. Strutt; David Fairen-Jimenez; Julien Iehl; Marianne B. Lalonde; Randall Q. Snurr; Omar K. Farha; Joseph T. Hupp; J. Fraser Stoddart","Incorporation of an A1/A2-Difunctionalized Pillar[5]arene into a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","17436","17439","10.1021/ja3082523","","","1.54178","CuKα","","0.0669","0.0574","","","0.1587","0.1648","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118826","14.5704","0.0011","15.7185","0.0012","30.632","0.002","90","","96.597","0.001","90","","6969","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H74 N10 Ni2 O12 S2 -","- C75 H74 N10 Ni2 O12 S2 -","- C300 H296 N40 Ni8 O48 S8 -","4","1","","Eunsung Lee; Jacob M. Hooker; Tobias Ritter","Nickel-Mediated Oxidative Fluorination for PET with Aqueous [18F] Fluoride","Journal of the American Chemical Society","2012","134","","17456","17458","10.1021/ja3084797","","","0.71073","MoKα","","0.104","0.0605","","","0.1416","0.1627","","","","","","1.012","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118827","11.4943","0.0002","12.2951","0.0002","16.956","0.0003","90","","90","","90","","2396.28","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 N3 O3 -","- C25 H39 N3 O3 -","- C100 H156 N12 O12 -","4","1","","Pavol Jakubec; Alison Hawkins; Wolfgang Felzmann; Darren J. Dixon","Total Synthesis of Manzamine A and Related Alkaloids","Journal of the American Chemical Society","2012","134","","17482","17485","10.1021/ja308826x","","","0.71073","MoKα","","0.0786","0.0476","","0.1408","0.1088","0.1408","","","","","","0.9183","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118828","10.3715","0.0002","8.9189","0.0002","11.0807","0.0003","90","","114.652","0.001","90","","931.57","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H26 N2 O7 -","- C19 H26 N2 O7 -","- C38 H52 N4 O14 -","2","1","","Pavol Jakubec; Alison Hawkins; Wolfgang Felzmann; Darren J. Dixon","Total Synthesis of Manzamine A and Related Alkaloids","Journal of the American Chemical Society","2012","134","","17482","17485","10.1021/ja308826x","","","0.71073","MoKα","","0.061","0.0409","","0.0881","0.0803","0.0881","","","","","","0.9389","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118829","7.6481","0.0009","8.8247","0.0011","11.7268","0.0014","90","","93.619","0.002","90","","789.89","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N O3 -","- C9 H7 N O3 -","- C36 H28 N4 O12 -","4","1","","Zheng-Hui Guan; Ming Chen; Zhi-Hui Ren","Palladium-Catalyzed Regioselective Carbonylation of C-H Bonds of N-Alkyl Anilines for Synthesis of Isatoic Anhydrides","Journal of the American Chemical Society","2012","134","","17490","17493","10.1021/ja308976x","","","0.71073","MoKα","","0.0671","0.0449","","","0.1239","0.1445","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118830","9.9834","0.0014","18.151","0.003","27.004","0.004","90","","98.644","0.002","90","","4837.8","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.5 H46 Cl3 N2 P2 Pd2 -","- C50.5 H46 Cl3 N2 P2 Pd2 -","- C202 H184 Cl12 N8 P8 Pd8 -","4","1","","Zheng-Hui Guan; Ming Chen; Zhi-Hui Ren","Palladium-Catalyzed Regioselective Carbonylation of C-H Bonds of N-Alkyl Anilines for Synthesis of Isatoic Anhydrides","Journal of the American Chemical Society","2012","134","","17490","17493","10.1021/ja308976x","","","0.71073","MoKα","","0.0646","0.0454","","","0.1176","0.1292","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118831","10.03684","0.00017","27.5045","0.0004","17.5871","0.0003","90","","97.1843","0.0015","90","","4816.95","0.14","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H46 Br2 N2 P2 Pd2 -","- C50 H46 Br2 N2 P2 Pd2 -","- C200 H184 Br8 N8 P8 Pd8 -","4","1","","Zheng-Hui Guan; Ming Chen; Zhi-Hui Ren","Palladium-Catalyzed Regioselective Carbonylation of C-H Bonds of N-Alkyl Anilines for Synthesis of Isatoic Anhydrides","Journal of the American Chemical Society","2012","134","","17490","17493","10.1021/ja308976x","","","1.5418","CuKα","","0.0585","0.0532","","","0.1538","0.1591","","","","","","1.056","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118832","10.3377","0.0011","11.1725","0.0012","19.4295","0.0019","87.286","0.005","79.613","0.005","88.849","0.006","2204.7","0.4","303.2","0.1","303.2","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Masaki Horie; Yuji Suzaki; Daisuke Hashizume; Tomoko Abe; Tiendi Wu; Takafumi Sassa; Takuya Hosokai; Kohtaro Osakada","Thermally-Induced Phase Transition of Pseudorotaxane Crystals: Changes in Conformation and Interaction of the Molecules and Optical Properties of the Crystals","Journal of the American Chemical Society","2012","134","","17932","17944","10.1021/ja304406c","","","0.71073","MoKα","","0.0819","0.0541","","","0.1383","0.1605","","","","","","1.063","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118833","10.3858","0.0017","11.276","0.002","19.379","0.003","87.288","0.01","81.024","0.007","88.6","0.01","2238.8","0.6","373.2","0.1","373.2","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Masaki Horie; Yuji Suzaki; Daisuke Hashizume; Tomoko Abe; Tiendi Wu; Takafumi Sassa; Takuya Hosokai; Kohtaro Osakada","Thermally-Induced Phase Transition of Pseudorotaxane Crystals: Changes in Conformation and Interaction of the Molecules and Optical Properties of the Crystals","Journal of the American Chemical Society","2012","134","","17932","17944","10.1021/ja304406c","","","0.71073","MoKα","","0.1144","0.0662","","","0.1716","0.2066","","","","","","1.027","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118834","10.211","0.004","11.919","0.006","18.54","0.007","85.67","0.03","86.5","0.03","87.66","0.04","2244.3","1.7","401.2","0.2","401.2","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Masaki Horie; Yuji Suzaki; Daisuke Hashizume; Tomoko Abe; Tiendi Wu; Takafumi Sassa; Takuya Hosokai; Kohtaro Osakada","Thermally-Induced Phase Transition of Pseudorotaxane Crystals: Changes in Conformation and Interaction of the Molecules and Optical Properties of the Crystals","Journal of the American Chemical Society","2012","134","","17932","17944","10.1021/ja304406c","","","0.71073","MoKα","","0.1957","0.1097","","","0.2798","0.3624","","","","","","1.042","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118835","10.1942","0.0012","11.1306","0.0015","19.424","0.002","86.904","0.004","77.795","0.004","88.815","0.005","2150.9","0.4","113.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.7 F6 Fe N O8 P0.3 -","- C43 H54 As0.7 F6 Fe N O8 P0.3 -","- C86 H108 As1.4 F12 Fe2 N2 O16 P0.6 -","2","1","","Masaki Horie; Yuji Suzaki; Daisuke Hashizume; Tomoko Abe; Tiendi Wu; Takafumi Sassa; Takuya Hosokai; Kohtaro Osakada","Thermally-Induced Phase Transition of Pseudorotaxane Crystals: Changes in Conformation and Interaction of the Molecules and Optical Properties of the Crystals","Journal of the American Chemical Society","2012","134","","17932","17944","10.1021/ja304406c","","","0.7107","MoKα","","","0.0763","","","","0.0868","","","","","","1.238","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118836","10.1083","0.0015","11.6133","0.0017","17.984","0.002","85.696","0.004","87.424","0.005","88.937","0.004","2102.8","0.5","113.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 As F6 Fe N O8 -","- C43 H54 As F6 Fe N O8 -","- C86 H108 As2 F12 Fe2 N2 O16 -","2","1","","Masaki Horie; Yuji Suzaki; Daisuke Hashizume; Tomoko Abe; Tiendi Wu; Takafumi Sassa; Takuya Hosokai; Kohtaro Osakada","Thermally-Induced Phase Transition of Pseudorotaxane Crystals: Changes in Conformation and Interaction of the Molecules and Optical Properties of the Crystals","Journal of the American Chemical Society","2012","134","","17932","17944","10.1021/ja304406c","","","0.7107","MoKα","","","0.0288","","","","0.0374","","","","","","0.606","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118837","11.714","0.0017","16.999","0.002","10.2955","0.0014","93.325","0.004","92.377","0.003","88.795","0.003","2044.5","0.5","113.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H52 F6 Fe N O8 P -","- C42 H52 F6 Fe N O8 P -","- C84 H104 F12 Fe2 N2 O16 P2 -","2","1","","Masaki Horie; Yuji Suzaki; Daisuke Hashizume; Tomoko Abe; Tiendi Wu; Takafumi Sassa; Takuya Hosokai; Kohtaro Osakada","Thermally-Induced Phase Transition of Pseudorotaxane Crystals: Changes in Conformation and Interaction of the Molecules and Optical Properties of the Crystals","Journal of the American Chemical Society","2012","134","","17932","17944","10.1021/ja304406c","","","0.7107","MoKα","","","0.035","","","","0.0486","","","","","","0.964","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118838","10.669","0.008","11.889","0.01","16.255","0.011","78.87","0.03","77.94","0.03","85.64","0.03","1977","3","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H50 F6 Fe N O8 P -","- C37 H50 F6 Fe N O8 P -","- C74 H100 F12 Fe2 N2 O16 P2 -","2","1","","Masaki Horie; Yuji Suzaki; Daisuke Hashizume; Tomoko Abe; Tiendi Wu; Takafumi Sassa; Takuya Hosokai; Kohtaro Osakada","Thermally-Induced Phase Transition of Pseudorotaxane Crystals: Changes in Conformation and Interaction of the Molecules and Optical Properties of the Crystals","Journal of the American Chemical Society","2012","134","","17932","17944","10.1021/ja304406c","","","0.7107","MoKα","","","0.0637","","","","0.0828","","","","","","0.967","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118839","51.02","0.01","5.7091","0.0011","9.941","0.002","90","","94.55","0.03","90","","2886.5","1","180","2","180","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H52 Co N2 O4 -","- C24 H52 Co N2 O4 -","- C96 H208 Co4 N8 O16 -","4","0.5","","Nikos Liakakos; Benoît Cormary; Xiaojian Li; Pierre Lecante; Marc Respaud; Laurent Maron; Andrea Falqui; Alessandro Genovese; Laure Vendier; Spyros Koïnis; Bruno Chaudret; Katerina Soulantica","The Big Impact of a Small Detail: Cobalt Nanocrystal Polymorphism as a Result of Precursor Addition Rate during Stock Solution Preparation","Journal of the American Chemical Society","2012","134","","17922","17931","10.1021/ja304487b","","","0.71073","MoKα","","0.0968","0.0636","","","0.1208","0.1356","","","","","","0.991","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118840","5.4579","0.0015","12.568","0.004","21.459","0.006","90","","93.467","0.006","90","","1469.3","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","k080409","","","- C42 H28 N2 -","- C42 H28 N2 -","- C84 H56 N4 -","2","0.5","","Kyung-Ryang Wee; Yang-Jin Cho; Soyeong Jeong; Soonnam Kwon; Jong-Dae Lee; Il-Hwan Suh; Sang Ook Kang","Carborane-Based Optoelectronically Active Organic Molecules: Wide Band Gap Host Materials for Blue Phosphorescence","Journal of the American Chemical Society","2012","134","","17982","17990","10.1021/ja3066623","","","0.71073","mokα","","0.0971","0.0446","","","0.1009","0.1288","","","","","","1.03","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118841","11.6333","0.0003","15.5748","0.0004","32.6991","0.0008","101.06","0.001","90.252","0.001","110.141","0.001","5443","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(ArDpme)CoCl(py)","5-mesityl-1,9-bis(2,4,6-triphenylphenyl)dipyrrinatocobalt(II) chloride pyridine","","- C71 H54 Cl Co N3 -","- C71 H54 Cl Co N3 -","- C284 H216 Cl4 Co4 N12 -","4","2","","Evan R. King; Graham T. Sazama; Theodore A. Betley","Co(III) Imidos Exhibiting Spin Crossover and C-H Bond Activation","Journal of the American Chemical Society","2012","134","","17858","17861","10.1021/ja307699u","","","0.71073","MoKα","","0.0727","0.0421","","","0.0836","0.0946","","","","","","1.01","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118842","20.485","0.002","17.5727","0.0017","14.6905","0.0015","90","","94.802","0.002","90","","5269.7","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(ArDpme)Co(py)","5-mesityl-1,9-bis(2,4,6-triphenylphenyl)dipyrrinatocobalt(I) pyridine","","- C71 H54 Co N3 -","- C71 H54 Co N3 -","- C284 H216 Co4 N12 -","4","0.5","","Evan R. King; Graham T. Sazama; Theodore A. Betley","Co(III) Imidos Exhibiting Spin Crossover and C-H Bond Activation","Journal of the American Chemical Society","2012","134","","17858","17861","10.1021/ja307699u","","","0.71073","MoKα","","0.1043","0.0743","","","0.223","0.2461","","","","","","1.047","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118843","12.5057","0.001","12.8018","0.001","21.6877","0.0018","75.774","0.0013","81.273","0.0014","84.329","0.0013","3319.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(ArDpme)Co(N4(C6H4-p-NMe2)2)","5-mesityl-1,9-bis(2,4,6-triphenylphenyl)dipyrrinatocobalt(III) bis(4-dimethylaminophenyl)tetrazene","","- C86.5 H81 Co N8 -","- C86.5 H81 Co N8 -","- C173 H162 Co2 N16 -","2","1","","Evan R. King; Graham T. Sazama; Theodore A. Betley","Co(III) Imidos Exhibiting Spin Crossover and C-H Bond Activation","Journal of the American Chemical Society","2012","134","","17858","17861","10.1021/ja307699u","","","0.71073","MoKα","","0.096","0.0584","","","0.152","0.1742","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118844","11.8393","0.0019","16.0454","0.0025","16.3923","0.0025","89.3622","0.0031","87.7742","0.0031","72.6584","0.0031","2970.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(ArDpme)Co(NtBu)","5-mesityl-1,9-bis(2,4,6-triphenylphenyl)dipyrrinatocobalt(III) tert-butylimide","","- C79 H70.33 Co N3 -","- C79 H70.332 Co N3 -","- C158 H140.664 Co2 N6 -","2","1","","Evan R. King; Graham T. Sazama; Theodore A. Betley","Co(III) Imidos Exhibiting Spin Crossover and C-H Bond Activation","Journal of the American Chemical Society","2012","134","","17858","17861","10.1021/ja307699u","","","0.71073","MoKα","","0.093","0.0499","","","0.1056","0.1222","","","","","","1.01","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118845","11.7041","0.0013","16.763","0.002","17.822","0.002","70.312","0.002","70.894","0.002","78.788","0.002","3096.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ArDpmeCo(NH(C6H2-2,4-Me2)-6-CH2)","5-mesityl-1,9-bis(2,4,6-triphenylphenyl)dipyrrinato -5,7-dimethyl-2-cobalt(III)-metallacycloindoline","","- C81 H75 Co N3 O1.5 -","- C81 H75 Co N3 O1.5 -","- C162 H150 Co2 N6 O3 -","2","1","","Evan R. King; Graham T. Sazama; Theodore A. Betley","Co(III) Imidos Exhibiting Spin Crossover and C-H Bond Activation","Journal of the American Chemical Society","2012","134","","17858","17861","10.1021/ja307699u","","","0.41328","synchrotron","","0.1095","0.0658","","","0.1645","0.1928","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118846","11.464","0.003","14.775","0.005","18.824","0.004","93.842","0.006","102.272","0.004","101.405","0.004","3034.2","1.5","373","2","373","2","","","","","","","","5","P -1","-P 1","2","ArDpmeCo(N4tBu2)","5-mesityl-1,9-bis(2,4,6-triphenylphenyl)dipyrrinatocobalt(III) di-tert-butyltetrazene","","- C78 H77 Co N6 O -","- C78 H77 Co N6 O -","- C156 H154 Co2 N12 O2 -","2","1","","Evan R. King; Graham T. Sazama; Theodore A. Betley","Co(III) Imidos Exhibiting Spin Crossover and C-H Bond Activation","Journal of the American Chemical Society","2012","134","","17858","17861","10.1021/ja307699u","","","0.41328","synchrotron","","0.1934","0.1122","","","0.2797","0.3127","","","","","","1.06","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118847","29.7963","0.0016","8.408","0.0005","21.7444","0.0011","90","","90","","90","","5447.6","0.5","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C23.5 H24 Cl F6 N4 O2 P Pt -","- C23.5 H24 Cl F6 N4 O2 P Pt -","- C188 H192 Cl8 F48 N32 O16 P8 Pt8 -","8","2","","Xun Zhang; Shuichi Suzuki; Masatoshi Kozaki; Keiji Okada","NCN Pincer-Pt Complexes Coordinated by (Nitronyl Nitroxide)-2-ide Radical Anion","Journal of the American Chemical Society","2012","134","","17866","17868","10.1021/ja308103g","","","0.7107","MoKα","","0.0844","0.0657","","","0.1243","0.1345","","","","","","1.092","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118848","9.8985","0.0012","15.6407","0.0019","14.4655","0.0018","90","","97.59","0.003","90","","2219.9","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N4 O3 Pt -","- C24 H27 N4 O3 Pt -","- C96 H108 N16 O12 Pt4 -","4","1","","Xun Zhang; Shuichi Suzuki; Masatoshi Kozaki; Keiji Okada","NCN Pincer-Pt Complexes Coordinated by (Nitronyl Nitroxide)-2-ide Radical Anion","Journal of the American Chemical Society","2012","134","","17866","17868","10.1021/ja308103g","","","0.7107","MoKα","","0.0443","0.036","","","0.0621","0.0639","","","","","","1.186","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118849","8.8562","0.0013","10.4837","0.0019","16.091","0.003","81.251","0.017","75.385","0.017","66.316","0.013","1321.7","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 N4 O4 Pt -","- C27 H35 N4 O4 Pt -","- C54 H70 N8 O8 Pt2 -","2","1","","Xun Zhang; Shuichi Suzuki; Masatoshi Kozaki; Keiji Okada","NCN Pincer-Pt Complexes Coordinated by (Nitronyl Nitroxide)-2-ide Radical Anion","Journal of the American Chemical Society","2012","134","","17866","17868","10.1021/ja308103g","","","0.7107","MoKα","","0.0713","0.0601","","","0.1226","0.1275","","","","","","1.09","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118850","9.9464","0.0014","15.361","0.002","14.3","0.002","90","","97.978","0.003","90","","2163.7","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N4 O3 Pt -","- C23 H25 N4 O3 Pt -","- C92 H100 N16 O12 Pt4 -","4","1","","Xun Zhang; Shuichi Suzuki; Masatoshi Kozaki; Keiji Okada","NCN Pincer-Pt Complexes Coordinated by (Nitronyl Nitroxide)-2-ide Radical Anion","Journal of the American Chemical Society","2012","134","","17866","17868","10.1021/ja308103g","","","0.7107","MoKα","","0.0501","0.0425","","","0.0743","0.0764","","","","","","1.27","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118851","8.97","0.0018","18.36","0.004","15.8","0.003","90","","91.34","0.005","90","","2601.4","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Cl4 N6 O2 Pt -","- C21 H25 Cl4 N6 O2 Pt -","- C84 H100 Cl16 N24 O8 Pt4 -","4","1","","Xun Zhang; Shuichi Suzuki; Masatoshi Kozaki; Keiji Okada","NCN Pincer-Pt Complexes Coordinated by (Nitronyl Nitroxide)-2-ide Radical Anion","Journal of the American Chemical Society","2012","134","","17866","17868","10.1021/ja308103g","","","0.7107","MoKα","","0.0719","0.0476","","","0.0932","0.1007","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118852","7.9721","0.0003","17.2319","0.0008","18.5026","0.0009","109.117","0.002","91.667","0.003","93.427","0.003","2394.12","0.19","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H60 S6 -","- C60 H60 S6 -","- C120 H120 S12 -","2","1","","Long Chen; Sreenivasa R. Puniredd; Yuan-Zhi Tan; Martin Baumgarten; Ute Zschieschang; Volker Enkelmann; Wojciech Pisula; Xinliang Feng; Hagen Klauk; Klaus Müllen","Hexathienocoronenes: Synthesis and Self-Organization","Journal of the American Chemical Society","2012","134","","17869","17872","10.1021/ja3082395","","","0.71073","MoKα","","0.097","0.0467","","0.0801","0.0554","0.0554","","","","","","1.1129","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118853","13.8948","0.0009","14.4076","0.0008","14.5193","0.0007","61.552","0.003","70.858","0.003","74.447","0.003","2392.3","0.2","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H60 S6 -","- C60 H60 S6 -","- C120 H120 S12 -","2","1","","Long Chen; Sreenivasa R. Puniredd; Yuan-Zhi Tan; Martin Baumgarten; Ute Zschieschang; Volker Enkelmann; Wojciech Pisula; Xinliang Feng; Hagen Klauk; Klaus Müllen","Hexathienocoronenes: Synthesis and Self-Organization","Journal of the American Chemical Society","2012","134","","17869","17872","10.1021/ja3082395","","","0.71073","MoKα","","0.1133","0.0693","","0.0822","0.0643","0.0643","","","","","","1.1112","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118854","7.9799","0.0002","17.2385","0.0006","18.5251","0.0006","109.097","0.0015","91.517","0.002","93.5899","0.0019","2400.39","0.13","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H60 S6 -","- C60 H60 S6 -","- C120 H120 S12 -","2","1","","Long Chen; Sreenivasa R. Puniredd; Yuan-Zhi Tan; Martin Baumgarten; Ute Zschieschang; Volker Enkelmann; Wojciech Pisula; Xinliang Feng; Hagen Klauk; Klaus Müllen","Hexathienocoronenes: Synthesis and Self-Organization","Journal of the American Chemical Society","2012","134","","17869","17872","10.1021/ja3082395","","","0.71073","MoKα","","0.095","0.0539","","0.0651","0.0613","0.0613","","","","","","1.1372","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118855","62.312","0.009","62.312","0.009","62.312","0.009","90","","90","","90","","241944","6","293","2","293","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C12 H24 Cu4 I4 N4 -","- C12 H20.4706 Cu4 I4 N4 -","- C1632 H2784 Cu544 I544 N544 -","136","0.708333","","Yao Kang; Fei Wang; Jian Zhang; Xianhui Bu","Luminescent MTN-Type Cluster-Organic Framework with 2.6 nm Cages","Journal of the American Chemical Society","2012","134","","17881","17884","10.1021/ja308801n","","","0.71073","MoKα","","0.1589","0.1079","","","0.2941","0.3337","","","","","","1.094","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118856","32.8634","0.0009","8.0309","0.0002","14.6844","0.0004","90","","97.328","0.001","90","","3843.89","0.18","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 F2 O2 -","- C12 H8 F2 O2 -","- C192 H128 F32 O32 -","16","2","","Simon N. Kessler; Markus Neuburger; Hermann A. Wegner","Domino Inverse Electron-Demand Diels-Alder/Cyclopropanation Reaction of Diazines Catalyzed by a Bidentate Lewis Acid","Journal of the American Chemical Society","2012","134","","17885","17888","10.1021/ja308858y","","","0.71073","MoKα","","0.0903","0.0625","","0.1668","0.0791","0.0642","","","","","","1.1864","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118857","7.9941","0.0002","8.7241","0.0003","8.9308","0.0003","85.784","0.002","70.323","0.002","81.371","0.002","579.66","0.03","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H14 O4 -","- C14 H14 O4 -","- C28 H28 O8 -","2","1","","Simon N. Kessler; Markus Neuburger; Hermann A. Wegner","Domino Inverse Electron-Demand Diels-Alder/Cyclopropanation Reaction of Diazines Catalyzed by a Bidentate Lewis Acid","Journal of the American Chemical Society","2012","134","","17885","17888","10.1021/ja308858y","","","0.71073","MoKα","","0.0604","0.0396","","0.0807","0.0439","0.0407","","","","","","1.1138","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118858","7.4048","0.0002","17.3672","0.0004","17.951","0.0006","90","","95.847","0.001","90","","2296.5","0.11","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 B2 N4 -","- C24 H30 B2 N4 -","- C96 H120 B8 N16 -","4","1","","Momar Toure; Olivier Chuzel; Jean-Luc Parrain","Asymmetric Rhodium-Directed anti-Markovnikov Regioselective Boracyclopentannulation","Journal of the American Chemical Society","2012","134","","17892","17895","10.1021/ja309018f","","x-ray","0.71073","MoKα","","0.1564","0.0933","","","0.2348","0.2742","","","","","","1.076","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118859","16.0455","0.0003","7.5096","0.0001","26.2686","0.0007","90","","90","","90","","3165.24","0.11","293","2","293","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C16 H23 B N2 -","- C16 H23 B N2 -","- C128 H184 B8 N16 -","8","1","","Momar Toure; Olivier Chuzel; Jean-Luc Parrain","Asymmetric Rhodium-Directed anti-Markovnikov Regioselective Boracyclopentannulation","Journal of the American Chemical Society","2012","134","","17892","17895","10.1021/ja309018f","","x-ray","0.71073","MoKα","","0.1498","0.0855","","","0.2264","0.2769","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118860","13.2013","0.0007","14.5468","0.0007","14.6172","0.0007","90","","106.826","0.002","90","","2686.9","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H84 N2 Si4 -","- C52 H84 N2 Si4 -","- C104 H168 N4 Si8 -","2","1","","Aaron D. Finke; Oliver Dumele; Michal Zalibera; Daria Confortin; Pawel Cias; Govindasamy Jayamurugan; Jean-Paul Gisselbrecht; Corinne Boudon; W. Bernd Schweizer; Georg Gescheidt; François Diederich","6,6-Dicyanopentafulvenes: Electronic Structure and Regioselectivity in [2 + 2] Cycloaddition-Retroelectrocyclization Reactions","Journal of the American Chemical Society","2012","134","","18139","18146","10.1021/ja309141r","","","0.71073","MoKα","","0.0593","0.0444","","","0.0965","0.1031","","","","","","1.127","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118861","10.1004","0.0003","10.1085","0.0003","15.9835","0.0004","77.184","0.001","89.472","0.002","76.692","0.001","1547.02","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H31 N3 -","- C42 H31 N3 -","- C84 H62 N6 -","2","1","","Aaron D. Finke; Oliver Dumele; Michal Zalibera; Daria Confortin; Pawel Cias; Govindasamy Jayamurugan; Jean-Paul Gisselbrecht; Corinne Boudon; W. Bernd Schweizer; Georg Gescheidt; François Diederich","6,6-Dicyanopentafulvenes: Electronic Structure and Regioselectivity in [2 + 2] Cycloaddition-Retroelectrocyclization Reactions","Journal of the American Chemical Society","2012","134","","18139","18146","10.1021/ja309141r","","","0.71073","MoKα","","0.0601","0.0443","","","0.1088","0.1151","","","","","","1.364","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118862","47.9783","0.0016","47.9783","0.0016","16.4921","0.0007","90","","90","","120","","32877","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C70 H104 N4 Si4 -","- C70 H104 N4 Si4 -","- C1260 H1872 N72 Si72 -","18","1","","Aaron D. Finke; Oliver Dumele; Michal Zalibera; Daria Confortin; Pawel Cias; Govindasamy Jayamurugan; Jean-Paul Gisselbrecht; Corinne Boudon; W. Bernd Schweizer; Georg Gescheidt; François Diederich","6,6-Dicyanopentafulvenes: Electronic Structure and Regioselectivity in [2 + 2] Cycloaddition-Retroelectrocyclization Reactions","Journal of the American Chemical Society","2012","134","","18139","18146","10.1021/ja309141r","","","0.71073","MoKα","","0.199","0.154","","","0.3991","0.416","","","","","","2.775","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118863","9.6156","0.0003","9.7142","0.0003","10.8697","0.0003","106.306","0.002","93.996","0.002","118.475","0.002","831.28","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C44 H34 N2 O4 -","2","1","","Nicolas Guimond; Christina Gouliaras; Keith Fagnou","Correction to Rhodium(III)-Catalyzed Isoquinolone Synthesis: The N-O Bond as a Handle for C-N Bond Formation and Catalyst Turnover","Journal of the American Chemical Society","2012","134","","18148","18148","10.1021/ja3096625","","","0.71073","MoKα","","0.0486","0.0394","","","0.1118","0.12","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118864","11.967","0.002","14.415","0.002","22.293","0.004","90","","92.789","0.007","90","","3841.1","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H71 N4 O4 P -","- C32 H71 N4 O4 P -","- C128 H284 N16 O16 P4 -","4","1","","Kevin J. T. Noonan; Kristina M. Hugar; Henry A. Kostalik; Emil B. Lobkovsky; Héctor D. Abruña; Geoffrey W. Coates","Phosphonium-Functionalized Polyethylene: A New Class of Base-Stable Alkaline Anion Exchange Membranes","Journal of the American Chemical Society","2012","134","","18161","18164","10.1021/ja307466s","","","0.71073","MoKα","","0.0683","0.047","","","0.129","0.1451","","","","","","1.03","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118865","24.34","0.002","5.8369","0.0004","21.6277","0.0013","90","","95.706","0.005","90","","3057.4","0.4","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C40 H41 N -","- C40 H41 N -","- C160 H164 N4 -","4","1","","Toan V. Pho; Jonathan D. Yuen; Joshua A. Kurzman; Braden G. Smith; Maosheng Miao; Wesley T. Walker; Ram Seshadri; Fred Wudl","N-Alkyldinaphthocarbazoles, Azaheptacenes, for Solution-Processed Organic Field-Effect Transistors","Journal of the American Chemical Society","2012","134","","18185","18188","10.1021/ja3082582","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118866","5.54059","0.00016","10.0757","0.0004","10.3999","0.0004","97.848","0.003","100.309","0.003","90.16","0.003","565.63","0.04","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H27 N3 O4 -","- C25 H27 N3 O4 -","- C25 H27 N3 O4 -","1","1","","Daniel Best; Szymon Kujawa; Hon Wai Lam","Diastereo- and Enantioselective Pd(II)-Catalyzed Additions of 2-Alkylazaarenes to N-Boc Imines and Nitroalkenes","Journal of the American Chemical Society","2012","134","","18193","18196","10.1021/ja3083494","","","1.54184","CuKα","","0.0303","0.0298","","","0.0846","0.0852","","","","","","1.079","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118867","5.91759","0.00003","11.50337","0.00005","24.58172","0.00011","90","","90","","90","","1673.33","0.013","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","1","","Daniel Best; Szymon Kujawa; Hon Wai Lam","Diastereo- and Enantioselective Pd(II)-Catalyzed Additions of 2-Alkylazaarenes to N-Boc Imines and Nitroalkenes","Journal of the American Chemical Society","2012","134","","18193","18196","10.1021/ja3083494","","","1.54184","CuKα","","0.0246","0.0245","","","0.0671","0.0672","","","","","","1.042","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118868","5.94049","0.00007","31.6895","0.0003","10.02062","0.00007","90","","91.7156","0.0008","90","","1885.55","0.03","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C84 H76 N12 O16 -","4","2","","Daniel Best; Szymon Kujawa; Hon Wai Lam","Diastereo- and Enantioselective Pd(II)-Catalyzed Additions of 2-Alkylazaarenes to N-Boc Imines and Nitroalkenes","Journal of the American Chemical Society","2012","134","","18193","18196","10.1021/ja3083494","","","1.54184","CuKα","","0.0589","0.0574","","","0.169","0.1703","","","","","","1.059","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118869","7.2946","0.0003","13.3574","0.0005","22.0331","0.0009","90","","90","","90","","2146.84","0.15","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H36 O4 Si -","- C21 H36 O4 Si -","- C84 H144 O16 Si4 -","4","1","","Jie Wu; Yi Pu; James S. Panek","Divergent Synthesis of Functionalized Carbocycles through Organosilane-Directed Asymmetric Alkyne-Alkene Reductive Coupling and Annulation Sequence","Journal of the American Chemical Society","2012","134","","18440","18446","10.1021/ja3083945","","","1.54184","CuKα","","0.0477","0.0394","","","0.0957","0.1","","","","","","1.025","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118870","12.7662","0.0008","12.1448","0.0008","14.8497","0.001","90","","94.305","0.001","90","","2295.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 F3 N2 O9 P Re S -","- C17 H17 F3 N2 O9 P Re S -","- C68 H68 F12 N8 O36 P4 Re4 S4 -","4","1","","Agustin E. Pierri; Alessia Pallaoro; Guang Wu; Peter C. Ford","A Luminescent and Biocompatible PhotoCORM","Journal of the American Chemical Society","2012","134","","18197","18200","10.1021/ja3084434","","","0.71073","MoKα","","0.0212","0.016","","","0.029","0.0296","","","","","","1.56","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118871","16.155","0.003","14.31","0.003","17.608","0.004","90","","94.99","0.02","90","","4055.2","1.5","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dimitry-171","","","- C37 H73 Li O2 Si3 -","- C37 H73 Li O2 Si3 -","- C148 H292 Li4 O8 Si12 -","4","1","","Lieby Zborovsky; Roman Dobrovetsky; Mark Botoshansky; Dmitry Bravo-Zhivotovskii; Yitzhak Apeloig","Synthesis of Silenyllithiums Li(R'3Si)Si=C(SiR3)(1-Ad) via Transient Silyne-Silylidene Intermediates","Journal of the American Chemical Society","2012","134","","18229","18232","10.1021/ja308777v","","","0.71073","MoKα","","0.1347","0.0615","","","0.1376","0.1571","","","","","","0.985","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118872","21.474","0.004","11.565","0.002","50.33","0.01","90","","92.25","0.01","90","","12490","4","240","1","240","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Dimitry-180","","","- C52 H109 Li3 O4 Si5 -","- C52 H109 Li3 O4 Si5 -","- C416 H872 Li24 O32 Si40 -","8","1","","Lieby Zborovsky; Roman Dobrovetsky; Mark Botoshansky; Dmitry Bravo-Zhivotovskii; Yitzhak Apeloig","Synthesis of Silenyllithiums Li(R'3Si)Si=C(SiR3)(1-Ad) via Transient Silyne-Silylidene Intermediates","Journal of the American Chemical Society","2012","134","","18229","18232","10.1021/ja308777v","","","0.71073","MoKα","","0.0908","0.0527","","","0.1354","0.144","","","","","","0.919","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118873","9.0651","0.0002","20.1439","0.0004","27.5076","0.0005","90","","90","","90","","5023.07","0.17","173.2","","173.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 O3 Si2 -","- C22 H38 O3 Si2 -","- C176 H304 O24 Si16 -","8","2","","Austin G. Smith; Huw M. L. Davies","Rhodium-Catalyzed Enantioselective Vinylogous Addition of Enol Ethers to Vinyldiazoacetates","Journal of the American Chemical Society","2012","134","","18241","18244","10.1021/ja3092399","","","1.54184","CuKα","","0.0312","0.0301","","","0.0762","0.077","","","","","","1.081","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118874","13.2013","0.0016","14.1841","0.0017","9.6256","0.0012","90","","123.066","0.001","90","","1510.5","0.3","173.2","","173.2","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H17 Br O2 -","- C18 H17 Br O2 -","- C72 H68 Br4 O8 -","4","1","","Austin G. Smith; Huw M. L. Davies","Rhodium-Catalyzed Enantioselective Vinylogous Addition of Enol Ethers to Vinyldiazoacetates","Journal of the American Chemical Society","2012","134","","18241","18244","10.1021/ja3092399","","","0.71073","MoKα","","0.0398","0.0342","","","0.0839","0.0873","","","","","","1.022","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118875","23.919","0.002","23.919","0.002","23.919","0.002","90","","90","","90","","13685","2","100","2","100","2","","","101.3","","","","","5","I -4 3 d","I -4bd 2c 3","220","tris(3,5-dimethylphenyl(tertbutyl)amido)-(eta-2-peroxo)-vanadium","tris(3,5-dimethylphenyl(tertbutyl)amido)-(eta-2-peroxo)-vanadium","","- C36 H54 N3 O2 V -","- C36 H54 N3 O1.98 V -","- C576 H864 N48 O31.68 V16 -","16","0.333333","","Anthony F. Cozzolino; Daniel Tofan; Christopher C. Cummins; Manuel Temprado; Taryn D. Palluccio; Elena V. Rybak-Akimova; Subhojit Majumdar; Xiaochen Cai; Burjor Captain; Carl D. Hoff","Two-Step Binding of O2 to a Vanadium(III) Trisanilide Complex To Form a Non-Vanadyl Vanadium(V) Peroxo Complex","Journal of the American Chemical Society","2012","134","","18249","18252","10.1021/ja309621h","","x-ray","0.71073","MoKα","","0.0386","0.0319","","","0.0772","0.0826","","","","","","1.091","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118876","9.8729","0.0019","19.708","0.004","19.941","0.004","90","","90","","90","","3880","1.3","100","2","100","2","","","101.3","","","","","5","P 21 21 21","P 2ac 2ab","19","tert-butyl-acylimido Vanadium trisanilide","tris(3,5-dimethylphenyl(tertbutyl)amido)-(tertbutylacylimido)-Vanadium(V)","","- C41 H63 N4 O V -","- C41 H63 N4 O V -","- C164 H252 N16 O4 V4 -","4","1","","Anthony F. Cozzolino; Daniel Tofan; Christopher C. Cummins; Manuel Temprado; Taryn D. Palluccio; Elena V. Rybak-Akimova; Subhojit Majumdar; Xiaochen Cai; Burjor Captain; Carl D. Hoff","Two-Step Binding of O2 to a Vanadium(III) Trisanilide Complex To Form a Non-Vanadyl Vanadium(V) Peroxo Complex","Journal of the American Chemical Society","2012","134","","18249","18252","10.1021/ja309621h","","x-ray","0.71073","MoKα","","0.0799","0.0622","","","0.1143","0.1211","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118877","20.879","0.008","7.466","0.003","24.181","0.008","90","","105.549","0.006","90","","3631","2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 N2 Ni2 S20 -","- C24 H12 N2 Ni2 S20 -","- C96 H48 N8 Ni8 S80 -","4","1","","Toshio Naito; Tomoaki Karasudani; Shigeki Mori; Keishi Ohara; Kensuke Konishi; Takahiro Takano; Yukihiro Takahashi; Tamotsu Inabe; Sadafumi Nishihara; Katsuya Inoue","Molecular Photoconductor with Simultaneously Photocontrollable Localized Spins","Journal of the American Chemical Society","2012","134","","18656","18666","10.1021/ja306260b","","","0.71075","MoKα","","","0.0841","","","","0.0897","","","","","","1.412","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118878","16.4064","0.0011","16.4064","0.0011","13.5188","0.0018","90","","90","","120","","3151.3","0.5","153","2","153","2","","","","","","","","5","P 63","P 6c","173","","","","- C7 H18 Br4 Fe N -","- C6.99975 H17.9993 Br4 Fe N -","- C55.998 H143.994 Br32 Fe8 N8 -","8","1.33333","","Hong-Ling Cai; Yi Zhang; Da-Wei Fu; Wen Zhang; Tao Liu; Hirofumi Yoshikawa; Kunio Awaga; Ren-Gen Xiong","Above-Room-Temperature Magnetodielectric Coupling in a Possible Molecule-Based Multiferroic: Triethylmethylammonium Tetrabromoferrate(III)","Journal of the American Chemical Society","2012","134","","18487","18490","10.1021/ja3073319","","","0.71073","MoKα","","0.1457","0.1378","","","0.4237","0.4495","","","","","","1.487","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118879","8.169","0.007","8.169","0.007","13.411","0.003","90","","90","","120","","775","1","203","2","203","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C7 H18 Br4 Fe N -","- C7 H17.94 Br4 Fe N -","- C14 H35.88 Br8 Fe2 N2 -","2","0.166667","","Hong-Ling Cai; Yi Zhang; Da-Wei Fu; Wen Zhang; Tao Liu; Hirofumi Yoshikawa; Kunio Awaga; Ren-Gen Xiong","Above-Room-Temperature Magnetodielectric Coupling in a Possible Molecule-Based Multiferroic: Triethylmethylammonium Tetrabromoferrate(III)","Journal of the American Chemical Society","2012","134","","18487","18490","10.1021/ja3073319","","","0.71073","MoKα","","0.0591","0.0557","","","0.1594","0.1632","","","","","","1.146","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118880","8.267","0.002","8.267","0.002","13.524","0.002","90","","90","","120","","800.4","0.3","243","2","243","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C7 H18 Br4 Fe N -","- C7 H17.94 Br4 Fe N -","- C14 H35.88 Br8 Fe2 N2 -","2","0.166667","","Hong-Ling Cai; Yi Zhang; Da-Wei Fu; Wen Zhang; Tao Liu; Hirofumi Yoshikawa; Kunio Awaga; Ren-Gen Xiong","Above-Room-Temperature Magnetodielectric Coupling in a Possible Molecule-Based Multiferroic: Triethylmethylammonium Tetrabromoferrate(III)","Journal of the American Chemical Society","2012","134","","18487","18490","10.1021/ja3073319","","","0.71073","MoKα","","0.0687","0.0612","","","0.1639","0.1712","","","","","","1.108","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118881","8.265","0.009","8.265","0.009","13.539","0.019","90","","90","","120","","800.9","1.7","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C7 H18 Br4 Fe N -","- C7.018 H17.97 Br4 Fe N -","- C14.036 H35.94 Br8 Fe2 N2 -","2","0.166667","","Hong-Ling Cai; Yi Zhang; Da-Wei Fu; Wen Zhang; Tao Liu; Hirofumi Yoshikawa; Kunio Awaga; Ren-Gen Xiong","Above-Room-Temperature Magnetodielectric Coupling in a Possible Molecule-Based Multiferroic: Triethylmethylammonium Tetrabromoferrate(III)","Journal of the American Chemical Society","2012","134","","18487","18490","10.1021/ja3073319","","","0.71073","MoKα","","0.0738","0.0648","","","0.1638","0.1724","","","","","","1.103","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118882","8.344","0.009","8.344","0.009","13.67","0.02","90","","90","","120","","824.2","1.7","363","2","363","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C7 H18 Br4 Fe N -","- C7 H20.1 Br4 Fe N -","- C14 H40.2 Br8 Fe2 N2 -","2","0.166667","","Hong-Ling Cai; Yi Zhang; Da-Wei Fu; Wen Zhang; Tao Liu; Hirofumi Yoshikawa; Kunio Awaga; Ren-Gen Xiong","Above-Room-Temperature Magnetodielectric Coupling in a Possible Molecule-Based Multiferroic: Triethylmethylammonium Tetrabromoferrate(III)","Journal of the American Chemical Society","2012","134","","18487","18490","10.1021/ja3073319","","","0.71073","MoKα","","0.1064","0.0813","","","0.1869","0.2063","","","","","","1.139","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118883","8.7151","0.0007","10.1879","0.0011","14.983","0.002","76.556","0.004","73.339","0.005","66.602","0.004","1159","0.2","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H26 N2 O4 S3 -","- C21 H26 N2 O4 S3 -","- C42 H52 N4 O8 S6 -","2","2","","Hongli Bao; Uttam K. Tambar","Catalytic Enantioselective Allylic Amination of Unactivated Terminal Olefins via an Ene Reaction/[2,3]-Rearrangement","Journal of the American Chemical Society","2012","134","","18495","18498","10.1021/ja307851b","","","1.5418","CuKα","","0.0514","0.0386","","","0.0954","0.1178","","","","","","1.091","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118884","9.81","0.004","10.483","0.003","11.67","0.005","90","","102.286","0.0016","90","","1172.6","0.8","103.15","","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H20 O8 Ru -","- C26 H20 O8 Ru -","- C52 H40 O16 Ru2 -","2","1","","Kohei Takahashi; Makoto Yamashita; Kyoko Nozaki","Tandem Hydroformylation/Hydrogenation of Alkenes to Normal Alcohols Using Rh/Ru Dual Catalyst or Ru Single Component Catalyst","Journal of the American Chemical Society","2012","134","","18746","18757","10.1021/ja307998h","","","0.7107","MoKα","","0.0275","0.0257","","","0.0585","0.061","","","","","","1.162","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118885","7.705","0.003","13.954","0.005","19.299","0.007","90","","90","","90","","2074.9","1.3","103.15","","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 Ru Si2 -","- C17 H24 O4 Ru Si2 -","- C68 H96 O16 Ru4 Si8 -","4","1","","Kohei Takahashi; Makoto Yamashita; Kyoko Nozaki","Tandem Hydroformylation/Hydrogenation of Alkenes to Normal Alcohols Using Rh/Ru Dual Catalyst or Ru Single Component Catalyst","Journal of the American Chemical Society","2012","134","","18746","18757","10.1021/ja307998h","","","0.7107","MoKα","","0.0409","0.037","","","0.0804","0.084","","","","","","1.092","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118886","20.173","0.012","11.033","0.007","23.394","0.014","90","0.003","94.187","0.003","90","0.003","5193","5","103.15","","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H71 Cl O4 P2 Ru -","- C61 H71 Cl O4 P2 Ru -","- C244 H284 Cl4 O16 P8 Ru4 -","4","1","","Kohei Takahashi; Makoto Yamashita; Kyoko Nozaki","Tandem Hydroformylation/Hydrogenation of Alkenes to Normal Alcohols Using Rh/Ru Dual Catalyst or Ru Single Component Catalyst","Journal of the American Chemical Society","2012","134","","18746","18757","10.1021/ja307998h","","","0.7107","MoKα","","0.1265","0.1081","","","0.1912","0.2002","","","","","","1.302","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118887","41.6","0.02","17.746","0.009","12.812","0.006","90","","102.235","0.007","90","","9243","8","93.15","","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H62 O P2 Ru -","- C55 H62 O P2 Ru -","- C440 H496 O8 P16 Ru8 -","8","1","","Kohei Takahashi; Makoto Yamashita; Kyoko Nozaki","Tandem Hydroformylation/Hydrogenation of Alkenes to Normal Alcohols Using Rh/Ru Dual Catalyst or Ru Single Component Catalyst","Journal of the American Chemical Society","2012","134","","18746","18757","10.1021/ja307998h","","","0.71075","MoKα","","0.1071","0.0957","","","0.15","0.1547","","","","","","1.287","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118888","14.613","0.002","14.816","0.002","19.934","0.003","86.13","0.002","86.023","0.002","61.312","0.002","3774","0.9","90","","90","","","","","","","","","5","P -1","-P 1","2","Yb@Cs(6)-C82/NiOEP/2.0benzene","","","- C130 H56 N4 Ni Yb -","- C130 H56 N4 Ni Yb -","- C260 H112 N8 Ni2 Yb2 -","2","1","","Mitsuaki Suzuki; Zdenek Slanina; Naomi Mizorogi; Xing Lu; Shigeru Nagase; Marilyn M. Olmstead; Alan L. Balch; Takeshi Akasaka","Single-Crystal X-ray Diffraction Study of Three Yb@C82 Isomers Cocrystallized with NiII(octaethylporphyrin)","Journal of the American Chemical Society","2012","134","","18772","18778","10.1021/ja308706d","","","0.71073","MoKα","","0.0753","0.0636","","","0.169","0.1762","","","","","","1.049","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118889","25.335","0.003","15.045","0.002","19.813","0.003","90","","94.27","0.002","90","","7531.1","1.8","90","","90","","","","","","","","","5","C 1 2/m 1","-C 2y","12","Yb@C2(5)-C82/NiOEP/2benzene","","","- C130 H56 N4 Ni Yb -","- C130 H56 N4 Ni Yb0.98 -","- C520 H224 N16 Ni4 Yb3.92 -","4","0.5","","Mitsuaki Suzuki; Zdenek Slanina; Naomi Mizorogi; Xing Lu; Shigeru Nagase; Marilyn M. Olmstead; Alan L. Balch; Takeshi Akasaka","Single-Crystal X-ray Diffraction Study of Three Yb@C82 Isomers Cocrystallized with NiII(octaethylporphyrin)","Journal of the American Chemical Society","2012","134","","18772","18778","10.1021/ja308706d","","","0.71073","MoKα","","0.0795","0.069","","","0.1894","0.2002","","","","","","1.034","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118890","25.264","0.004","15.169","0.002","19.869","0.003","90","","95.078","0.002","90","","7584.5","1.9","90","","90","","","","","","","","","5","C 1 2/m 1","-C 2y","12","Yb@C2v(9)-C82/NiOEP/2(benzene)","","","- C130 H56 N4 Ni Yb -","- C130 H55.77 N4 Ni Yb0.85 -","- C520 H223.08 N16 Ni4 Yb3.4 -","4","0.5","","Mitsuaki Suzuki; Zdenek Slanina; Naomi Mizorogi; Xing Lu; Shigeru Nagase; Marilyn M. Olmstead; Alan L. Balch; Takeshi Akasaka","Single-Crystal X-ray Diffraction Study of Three Yb@C82 Isomers Cocrystallized with NiII(octaethylporphyrin)","Journal of the American Chemical Society","2012","134","","18772","18778","10.1021/ja308706d","","","0.71073","MoKα","","0.0945","0.0857","","","0.2338","0.2421","","","","","","1.038","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118891","16.8303","0.0002","16.8303","0.0002","16.8303","0.0002","90","","90","","90","","4767.33","0.1","100","2","100.01","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C6 H6 N4 Zn -","- C6 H6 N4 Zn -","- C72 H72 N48 Zn12 -","12","0.25","","Olga Karagiaridi; Marianne B. Lalonde; Wojciech Bury; Amy A. Sarjeant; Omar K. Farha; Joseph T. Hupp","Opening ZIF-8: A Catalytically Active Zeolitic Imidazolate Framework of Sodalite Topology with Unsubstituted Linkers","Journal of the American Chemical Society","2012","134","","18790","18796","10.1021/ja308786r","","","1.54184","CuKα","","0.0269","0.0269","","","0.0698","0.0698","","","","","","1.097","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118892","16.8303","0.0002","16.8303","0.0002","16.8303","0.0002","90","","90","","90","","4767.33","0.1","100","2","100.01","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C6.3 H6.6 N4 Zn -","- C6.3 H6.65 N4 Zn -","- C75.6 H79.8 N48 Zn12 -","12","0.25","","Olga Karagiaridi; Marianne B. Lalonde; Wojciech Bury; Amy A. Sarjeant; Omar K. Farha; Joseph T. Hupp","Opening ZIF-8: A Catalytically Active Zeolitic Imidazolate Framework of Sodalite Topology with Unsubstituted Linkers","Journal of the American Chemical Society","2012","134","","18790","18796","10.1021/ja308786r","","","1.54184","CuKα","","0.0261","0.0261","","","0.0618","0.0618","","","","","","1.124","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118893","9.398","0.0012","6.1397","0.0008","11.6079","0.0016","90","","109.978","0.004","90","","629.48","0.14","90","2","90","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C30 H36 O6 -","2","1","","Michael W. Lodewyk; Cristian Soldi; Paul B. Jones; Marilyn M. Olmstead; Juan Rita; Jared T. Shaw; Dean J. Tantillo","The Correct Structure of Aquatolide-Experimental Validation of a Theoretically-Predicted Structural Revision","Journal of the American Chemical Society","2012","134","","18550","18553","10.1021/ja3089394","","","1.54178","CuKα","","0.028","0.0268","","","0.0709","0.0712","","","","","","1.056","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118894","22.618","0.005","22.618","0.005","8.397","0.005","90","0.005","90","0.005","90","0.005","4296","3","293","2","293","2","","","","","","","","3","I -4","I -4","82","(C5Me5)2Dy(allyl)","","","- C23 H35 Dy -","- C23 H35 Dy -","- C184 H280 Dy8 -","8","1","","Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long","Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes","Journal of the American Chemical Society","2012","134","","18546","18549","10.1021/ja308945d","","","0.71069","MoKα","","0.0147","0.0146","","","0.0362","0.0362","","","","","","1.074","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118895","11.1325","0.0004","28.0382","0.0008","13.2787","0.0005","90","","98.017","0.001","90","","4104.2","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(C5Me5)2Dy(BPh4)*C7H8","","","- C51 H58 B Dy -","- C51 H58 B Dy -","- C204 H232 B4 Dy4 -","4","2","","Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long","Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes","Journal of the American Chemical Society","2012","134","","18546","18549","10.1021/ja308945d","","","0.71073","MoKα","","0.016","0.0157","","","0.0369","0.037","","","","","","1.038","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118896","22.7164","0.0006","22.7164","0.0006","8.3647","0.0003","90","","90","","90","","4316.5","0.2","100","2","100","2","","","","","","","","3","I -4","I -4","82","(C5Me5)2Tb(allyl)","","","- C23 H35 Tb -","- C23 H35 Tb -","- C184 H280 Tb8 -","8","1","","Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long","Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes","Journal of the American Chemical Society","2012","134","","18546","18549","10.1021/ja308945d","","","0.71073","MoKα","","0.0316","0.0276","","","0.0822","0.0872","","","","","","0.705","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118897","11.1431","0.0013","28.072","0.004","13.2834","0.0016","90","","98.086","0.006","90","","4113.9","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(C5Me5)2Tb(BPh4)*C7H8","","","- C51 H58 B Tb -","- C51 H58 B Tb -","- C204 H232 B4 Tb4 -","4","2","","Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long","Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes","Journal of the American Chemical Society","2012","134","","18546","18549","10.1021/ja308945d","","","0.71073","MoKα","","0.0219","0.0209","","","0.0445","0.045","","","","","","1.027","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118898","11.0113","0.0007","28.5299","0.0019","24.1865","0.0016","90","","100.965","0.003","90","","7459.5","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{[(C5Me5)2Tb]2(bipym)}(BPh4)","","","- C72 H86 B N4 Tb2 -","- C72 H86 B N4 Tb2 -","- C288 H344 B4 N16 Tb8 -","4","0.5","","Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long","Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes","Journal of the American Chemical Society","2012","134","","18546","18549","10.1021/ja308945d","","","0.71073","MoKα","","0.0817","0.061","","","0.1113","0.1227","","","","","","1.172","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118899","10.9915","0.0004","28.5352","0.001","24.1672","0.0007","90","","100.915","0.002","90","","7442.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{[(C5Me5)2Dy]2(bipym)}(BPh4)","","","- C72 H86 B Dy2 N4 -","- C72 H86 B Dy2 N4 -","- C288 H344 B4 Dy8 N16 -","4","0.5","","Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long","Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes","Journal of the American Chemical Society","2012","134","","18546","18549","10.1021/ja308945d","","","0.71073","MoKα","","0.0673","0.0488","","","0.0923","0.0986","","","","","","1.084","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118900","11.163","0.006","12.201","0.006","13.562","0.007","90","","94.723","0.006","90","","1840.9","1.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H36 N3 O5 P -","- C42 H36 N3 O5 P -","- C84 H72 N6 O10 P2 -","2","1","","Xiao Wang; Xiaolei Wang; Xianghui Tan; Jianming Lu; Kevin W. Cormier; Zhiqiang Ma; Chuo Chen","A Biomimetic Route for Construction of the [4+2] and [3+2] Core Skeletons of Dimeric Pyrrole-Imidazole Alkaloids and Asymmetric Synthesis of Ageliferins","Journal of the American Chemical Society","2012","134","","18834","18842","10.1021/ja309172t","","","0.71073","MoKα","","0.0546","0.0454","","","0.1076","0.1119","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118901","9.539","0.0004","11.3726","0.0004","17.4102","0.0007","97.8624","0.0005","93.3019","0.0005","111.449","0.0004","1729.48","0.12","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H38 N3 O4 P -","- C41 H38 N3 O4 P -","- C82 H76 N6 O8 P2 -","2","1","","Xiao Wang; Xiaolei Wang; Xianghui Tan; Jianming Lu; Kevin W. Cormier; Zhiqiang Ma; Chuo Chen","A Biomimetic Route for Construction of the [4+2] and [3+2] Core Skeletons of Dimeric Pyrrole-Imidazole Alkaloids and Asymmetric Synthesis of Ageliferins","Journal of the American Chemical Society","2012","134","","18834","18842","10.1021/ja309172t","","","0.71073","MoKα","","0.0535","0.0395","","","0.0935","0.1013","","","","","","1.022","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118902","12.9114","0.0015","14.344","0.002","15.129","0.002","73.225","0.003","65.051","0.002","69.261","0.003","2343.6","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 N3 O2 P Si -","- C47 H52 N3 O3 P Si -","- C94 H104 N6 O6 P2 Si2 -","2","1","","Xiao Wang; Xiaolei Wang; Xianghui Tan; Jianming Lu; Kevin W. Cormier; Zhiqiang Ma; Chuo Chen","A Biomimetic Route for Construction of the [4+2] and [3+2] Core Skeletons of Dimeric Pyrrole-Imidazole Alkaloids and Asymmetric Synthesis of Ageliferins","Journal of the American Chemical Society","2012","134","","18834","18842","10.1021/ja309172t","","","0.71075","MoKα","","0.1298","0.0875","","","0.1963","0.2144","","","","","","1.055","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118903","10.6092","0.0014","12.5906","0.0017","21.136","0.003","99.091","0.002","97.712","0.002","106.374","0.001","2626.7","0.6","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H51 Cl2 Fe2 N O2 P4 S2 -","- C57 H51 Cl2 Fe2 N O2 P4 S2 -","- C114 H102 Cl4 Fe4 N2 O4 P8 S4 -","2","1","","Maria E. Carroll; Bryan E. Barton; Thomas B. Rauchfuss; Patrick J. Carroll","Synthetic Models for the Active Site of the [FeFe]-Hydrogenase: Catalytic Proton Reduction and the Structure of the Doubly Protonated Intermediate","Journal of the American Chemical Society","2012","134","","18843","18852","10.1021/ja309216v","","","0.71073","MoKα","","0.0559","0.044","","","0.1149","0.1217","","","","","","0.949","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118904","15.328","0.004","22.073","0.005","18.286","0.004","90","","100.021","0.003","90","","6092","2","193","1","193","1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C56 H51 B2 F8 Fe2 N O2 P4 S2 -","- C56 H51 B2 F8 Fe2 N O2 P4 S2 -","- C224 H204 B8 F32 Fe8 N4 O8 P16 S8 -","4","1","","Maria E. Carroll; Bryan E. Barton; Thomas B. Rauchfuss; Patrick J. Carroll","Synthetic Models for the Active Site of the [FeFe]-Hydrogenase: Catalytic Proton Reduction and the Structure of the Doubly Protonated Intermediate","Journal of the American Chemical Society","2012","134","","18843","18852","10.1021/ja309216v","","","0.71073","MoKα","","0.0979","0.0578","","","0.1308","0.1473","","","","","","0.988","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118905","5.657","0.003","9.558","0.005","10.914","0.006","111.971","0.008","98.331","0.009","104.655","0.009","510.2","0.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C21 H23 N O5 S -","1","1","","Mahiuddin Baidya; Kimberly A. Griffin; Hisashi Yamamoto","Catalytic Enantioselective O-Nitrosocarbonyl Aldol Reaction of β-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","18566","18569","10.1021/ja309311z","","","0.71073","MoKα","","0.062","0.0533","","","0.0948","0.098","","","","","","0.932","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118906","10.085","0.003","5.6029","0.0018","14.674","0.005","90","","103.61","0.006","90","","805.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 O3 S -","- C19 H20 O3 S -","- C38 H40 O6 S2 -","2","1","","Mahiuddin Baidya; Kimberly A. Griffin; Hisashi Yamamoto","Catalytic Enantioselective O-Nitrosocarbonyl Aldol Reaction of β-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","18566","18569","10.1021/ja309311z","","","0.71073","MoKα","","0.0933","0.058","","","0.0932","0.1023","","","","","","0.806","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118907","5.496","0.002","13.106","0.005","19.157","0.008","90","","90","","90","","1379.9","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 S -","- C14 H18 O3 S -","- C56 H72 O12 S4 -","4","1","","Mahiuddin Baidya; Kimberly A. Griffin; Hisashi Yamamoto","Catalytic Enantioselective O-Nitrosocarbonyl Aldol Reaction of β-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","18566","18569","10.1021/ja309311z","","","0.71073","MoKα","","0.0831","0.0546","","","0.0787","0.0848","","","","","","0.845","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118908","11.688","0.004","12.115","0.004","19.217","0.005","90","","118.581","0.016","90","","2389.5","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H124 N4 O20 S4 -","- C100 H124 N4 O20 S4 -","- C100 H124 N4 O20 S4 -","1","0.25","","Mahiuddin Baidya; Kimberly A. Griffin; Hisashi Yamamoto","Catalytic Enantioselective O-Nitrosocarbonyl Aldol Reaction of β-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","18566","18569","10.1021/ja309311z","","","0.71073","MoKα","","0.0658","0.0465","","","0.1156","0.127","","","","","","0.721","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118909","10.3044","0.0008","9.1172","0.0007","27.235","0.002","90","","90","","90","","2558.7","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H15 Cl N2 O4 -","- C12 H15 Cl N2 O4 -","- C96 H120 Cl8 N16 O32 -","8","1","","Allison K. Griffith; Christine M. Vanos; Tristan H. Lambert","Organocatalytic Carbonyl-Olefin Metathesis","Journal of the American Chemical Society","2012","134","","18581","18584","10.1021/ja309650u","","","0.71073","MoKα","","0.063","0.0496","","","0.1357","0.1465","","","","","","1.035","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118910","8.652","0.004","14.984","0.008","19.066","0.01","90.829","0.007","102.188","0.007","94.639","0.008","2407","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H19 Br Cl2 N4 O5 Ru S -","- C19 H19 Br Cl2 N4 O5 Ru S -","- C76 H76 Br4 Cl8 N16 O20 Ru4 S4 -","4","2","","Lei Wang; Lele Duan; Beverly Stewart; Maoping Pu; Jianhui Liu; Timofei Privalov; Licheng Sun","Toward Controlling Water Oxidation Catalysis: Tunable Activity of Ruthenium Complexes with Axial Imidazole/DMSO Ligands","Journal of the American Chemical Society","2012","134","","18868","18880","10.1021/ja309805m","","","0.71073","MoKα","","0.1889","0.0912","","","0.1975","0.2473","","","","","","0.99","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118911","24.99","0.004","24.99","0.004","13.0478","0.0016","90","","90","","120","","7056.7","1.8","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C9 H16 N9 O2.5 Zn -","- C9 H15 N9 O2.50333 Zn -","- C162 H270 N162 O45.06 Zn18 -","18","1","","Ping Cui; Yu-Guang Ma; Huan-Huan Li; Bin Zhao; Jian-Rong Li; Peng Cheng; Perla B. Balbuena; Hong-Cai Zhou","Multipoint Interactions Enhanced CO2 Uptake: A Zeolite-like Zinc-Tetrazole Framework with 24-Nuclear Zinc Cages","Journal of the American Chemical Society","2012","134","","18892","18895","10.1021/ja3063138","","","0.71073","MoKα","","0.07","0.0498","","","0.1499","0.1555","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118912","22.1794","0.0018","13.6101","0.001","29.949","0.002","90","","96.671","0.005","90","","8979.3","1.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H80 F24 N8 O8 P4 S10 -","- C74 H80 F24 N8 O8 P4 S10 -","- C296 H320 F96 N32 O32 P16 S40 -","4","0.5","","Cheng Wang; Scott M. Dyar; Dennis Cao; Albert C. Fahrenbach; Noah Horwitz; Michael T. Colvin; Raanan Carmieli; Charlotte L. Stern; Sanjeev K. Dey; Michael R. Wasielewski; J. Fraser Stoddart","Tetrathiafulvalene Hetero Radical Cation Dimerization in a Redox-Active [2]Catenane","Journal of the American Chemical Society","2012","134","","19136","19145","10.1021/ja307577t","","","1.54178","CuKα","","0.0996","0.0857","","","0.2291","0.2401","","","","","","1.065","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118913","9.7107","0.0019","10.184","0.002","10.296","0.002","84.96","0.03","88.3","0.03","68.13","0.03","941.3","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 O P S -","- C24 H17 O P S -","- C48 H34 O2 P2 S2 -","2","1","","Chunmiao Han; Zhensong Zhang; Hui Xu; Shouzhen Yue; Jing Li; Pingrui Yan; Zhaopeng Deng; Yi Zhao; Pengfei Yan; Shiyong Liu","Short-Axis Substitution Approach Selectively Optimizes Electrical Properties of Dibenzothiophene-Based Phosphine Oxide Hosts","Journal of the American Chemical Society","2012","134","","19179","19188","10.1021/ja308273y","","","0.71073","MoKα","","0.0699","0.0496","","","0.1232","0.1432","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118914","14.708","0.0005","12.1509","0.0005","16.1933","0.0005","90","","91.299","0.003","90","","2893.25","0.18","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 O2 P2 S -","- C36 H26 O2 P2 S -","- C144 H104 O8 P8 S4 -","4","1","","Chunmiao Han; Zhensong Zhang; Hui Xu; Shouzhen Yue; Jing Li; Pingrui Yan; Zhaopeng Deng; Yi Zhao; Pengfei Yan; Shiyong Liu","Short-Axis Substitution Approach Selectively Optimizes Electrical Properties of Dibenzothiophene-Based Phosphine Oxide Hosts","Journal of the American Chemical Society","2012","134","","19179","19188","10.1021/ja308273y","","","0.71073","MoKα","","0.0661","0.0444","","","0.1061","0.1152","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118915","13.08228","0.00015","23.1771","0.0003","26.3615","0.0003","90","","90","","90","","7993.05","0.17","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H18 B Cl Cu F20 N4 -","- C42 H18 B Cl Cu F20 N4 -","- C336 H144 B8 Cl8 Cu8 F160 N32 -","8","1","","Shabnam Hematian; Maxime A. Siegler; Kenneth D. Karlin","Heme/Copper Assembly Mediated Nitrite and Nitric Oxide Interconversion","Journal of the American Chemical Society","2012","134","","18912","18915","10.1021/ja3083818","","","0.71073","MoKα","","0.0525","0.0305","","","0.0665","0.0699","","","","","","0.932","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118916","13.3059","0.0002","22.9396","0.0005","26.0492","0.0007","90","","90","","90","","7951.1","0.3","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H18 B Cu F20 N5 O2 -","- C42 H18 B Cu F20 N5 O2 -","- C336 H144 B8 Cu8 F160 N40 O16 -","8","1","","Shabnam Hematian; Maxime A. Siegler; Kenneth D. Karlin","Heme/Copper Assembly Mediated Nitrite and Nitric Oxide Interconversion","Journal of the American Chemical Society","2012","134","","18912","18915","10.1021/ja3083818","","","0.71073","MoKα","","0.0428","0.0317","","","0.0784","0.0833","","","","","","1.034","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118917","5.8661","0.0012","25.627","0.005","12.819","0.003","90","","98.922","0.003","90","","1903.8","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H39 Br3 O8 -","- C40 H39 Br3 O8 -","- C80 H78 Br6 O16 -","2","1","","Yalan Xing; Sudhir M. Hande; Yoshito Kishi","Photochemistry of Mycolactone A/B, the Causative Toxin of Buruli Ulcer","Journal of the American Chemical Society","2012","134","","19234","19239","10.1021/ja309215m","","","0.71073","MoKα","","0.054","0.0381","","","0.0564","0.0602","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118918","14.9058","0.0003","15.048","0.0003","38.4984","0.0007","90","","93.6286","0.0008","90","","8618","0.3","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C107 H119 O2 -","- C107 H119 O2 -","- C428 H476 O8 -","4","1","","Xiaozhang Zhu; Hayato Tsuji; Juan T. López Navarrete; Juan Casado; Eiichi Nakamura","Carbon-Bridged Oligo(phenylenevinylene)s: Stable π-Systems with High Responsiveness to Doping and Excitation","Journal of the American Chemical Society","2012","134","","19254","19259","10.1021/ja309318s","","","1.54187","CuKα","","0.157","0.0725","","","0.1766","0.2227","","","","","","1.017","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118919","9.329","0.002","28.097","0.006","10.961","0.002","90","","110.247","0.003","90","","2695.5","1","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H40 Fe2 O2 P4 S2 -","- C16 H40 Fe2 O2 P4 S2 -","- C64 H160 Fe8 O8 P16 S8 -","4","1","","Riccardo Zaffaroni; Thomas B. Rauchfuss; Danielle L. Gray; Luca De Gioia; Giuseppe Zampella","Terminal vs Bridging Hydrides of Diiron Dithiolates: Protonation of Fe2(dithiolate)(CO)2(PMe3)4","Journal of the American Chemical Society","2012","134","","19260","19269","10.1021/ja3094394","","","0.71073","MoKα","","0.0577","0.0346","","","0.0713","0.08","","","","","","1.004","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118920","13.4446","0.0016","32.134","0.004","16.0011","0.0019","90","","91.131","0.002","90","","6911.6","1.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24.5 H60 Fe2 O2 P4 S2 -","- C17 H42 Fe2 O2 P4 S2 -","- C136 H336 Fe16 O16 P32 S16 -","8","2","","Riccardo Zaffaroni; Thomas B. Rauchfuss; Danielle L. Gray; Luca De Gioia; Giuseppe Zampella","Terminal vs Bridging Hydrides of Diiron Dithiolates: Protonation of Fe2(dithiolate)(CO)2(PMe3)4","Journal of the American Chemical Society","2012","134","","19260","19269","10.1021/ja3094394","","","0.71073","MoKα","","0.0666","0.0434","","","0.0965","0.1031","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118921","17.4367","0.0006","18.2764","0.0006","19.3539","0.0006","90","","92.036","0.002","90","","6163.8","0.4","193","2","193","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 B F24 Fe2 N O2 P4 S2 -","- C48 H54 B F23.976 Fe2 N O2 P4 S2 -","- C192 H216 B4 F95.904 Fe8 N4 O8 P16 S8 -","4","1","","Riccardo Zaffaroni; Thomas B. Rauchfuss; Danielle L. Gray; Luca De Gioia; Giuseppe Zampella","Terminal vs Bridging Hydrides of Diiron Dithiolates: Protonation of Fe2(dithiolate)(CO)2(PMe3)4","Journal of the American Chemical Society","2012","134","","19260","19269","10.1021/ja3094394","","","1.54178","CuKα","","0.059","0.0479","","","0.1189","0.1253","","","","","","1.095","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118922","23.102","0.005","23.102","0.005","59.977","0.005","90","0.005","90","0.005","120","0.005","27721","9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C222 H168 N32 O67 Zn8 -","- C222 H168 N32 O67 Zn8 -","- C666 H504 N96 O201 Zn24 -","3","0.166667","","Susan Sen; Nisanth N. Nair; Teppei Yamada; Hiroshi Kitagawa; Parimal K. Bharadwaj","High Proton Conductivity by a Metal-Organic Framework Incorporating Zn8O Clusters with Aligned Imidazolium Groups Decorating the Channels","Journal of the American Chemical Society","2012","134","","19432","19437","10.1021/ja3076378","","","0.71069","MoKα","","0.1372","0.0846","","","0.2255","0.25","","","","","","0.885","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118923","18.2508","0.0004","19.216","0.0005","20.1901","0.0014","84.8","0.006","63.27","0.005","72.872","0.005","6036.4","0.6","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C242 H176 Cl4 F18 Ir6 N24 O19 S6 -","- C242 H176 Cl4 F18 Ir6 N24 O19 S6 -","- C242 H176 Cl4 F18 Ir6 N24 O19 S6 -","1","1","","Oleg Chepelin; Jakub Ujma; Xiaohua Wu; Alexandra M. Z. Slawin; Mateusz B. Pitak; Simon J. Coles; Julien Michel; Anita C. Jones; Perdita E. Barran; Paul J. Lusby","Luminescent, Enantiopure, Phenylatopyridine Iridium-Based Coordination Capsules","Journal of the American Chemical Society","2012","134","","19334","19337","10.1021/ja309031h","","","0.71075","MoKα","","0.0588","0.0523","","","0.1298","0.1341","","","","","","1.039","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118924","10.0039","0.0019","12.557","0.003","29.038","0.006","90","","90","","90","","3647.7","1.3","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H32 Cl2 Ir2 N4 -","- C44 H32 Cl2 Ir2 N4 -","- C176 H128 Cl8 Ir8 N16 -","4","1","","Oleg Chepelin; Jakub Ujma; Xiaohua Wu; Alexandra M. Z. Slawin; Mateusz B. Pitak; Simon J. Coles; Julien Michel; Anita C. Jones; Perdita E. Barran; Paul J. Lusby","Luminescent, Enantiopure, Phenylatopyridine Iridium-Based Coordination Capsules","Journal of the American Chemical Society","2012","134","","19334","19337","10.1021/ja309031h","","","0.71075","MoKα","","","0.0255","","","","0.0537","","","","","","0.939","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118925","9.9782","0.0017","12.56","0.002","29.008","0.005","90","","90","","90","","3635.5","1.1","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H32 Cl2 Ir2 N4 -","- C44 H32 Cl2 Ir2 N4 -","- C176 H128 Cl8 Ir8 N16 -","4","1","","Oleg Chepelin; Jakub Ujma; Xiaohua Wu; Alexandra M. Z. Slawin; Mateusz B. Pitak; Simon J. Coles; Julien Michel; Anita C. Jones; Perdita E. Barran; Paul J. Lusby","Luminescent, Enantiopure, Phenylatopyridine Iridium-Based Coordination Capsules","Journal of the American Chemical Society","2012","134","","19334","19337","10.1021/ja309031h","","","0.71075","MoKα","","","0.0314","","","","0.0752","","","","","","0.996","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118926","41.4417","0.0011","41.4417","0.0011","41.4417","0.0011","90","","90","","90","","71173","3","200","2","200","2","","","","","","","","7","F m -3","-F 2 2 3","202","","","","- C86 H456 Mo84 N2.5 Na43.5 O416 S48 -","- C48 H72 Mo84 Na7.92 O298.48 S48 -","- C192 H288 Mo336 Na31.68 O1193.92 S192 -","4","0.0416667","","Fatma Bannani; Sébastien Floquet; Nathalie Leclerc-Laronze; Mohamed Haouas; Francis Taulelle; Jérôme Marrot; Paul Kögerler; Emmanuel Cadot","Cubic Box versus Spheroidal Capsule Built from Defect and Intact Pentagonal Units","Journal of the American Chemical Society","2012","134","","19342","19345","10.1021/ja309302y","","","0.71073","MoKα","","0.1049","0.0618","","","0.1686","0.1897","","","","","","0.911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118927","64.949","0.004","64.949","0.004","77.695","0.005","90","","90","","120","","283837","3","150","2","150","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C52 H831 Mo132 N9.5 Na17.5 O694 S60 -","- C31.5 H48.75 Mo132 O444 S60 -","- C378 H585 Mo1584 O5328 S720 -","12","0.333333","","Fatma Bannani; Sébastien Floquet; Nathalie Leclerc-Laronze; Mohamed Haouas; Francis Taulelle; Jérôme Marrot; Paul Kögerler; Emmanuel Cadot","Cubic Box versus Spheroidal Capsule Built from Defect and Intact Pentagonal Units","Journal of the American Chemical Society","2012","134","","19342","19345","10.1021/ja309302y","","","0.71073","MoKα","","0.2105","0.0795","","","0.2005","0.237","","","","","","0.953","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118928","48.04","0.003","9.2092","0.0006","31.412","0.002","90","","125.79","0.001","90","","11272.8","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C118 H160 N2 O P4 Pt2 -","- C114 H152 N2 P4 Pt2 -","- C456 H608 N8 P16 Pt8 -","4","0.5","","Galyna G. Dubinina; Randi S. Price; Khalil A. Abboud; Geoffrey Wicks; Pawel Wnuk; Yuriy Stepanenko; Mikhail Drobizhev; Aleksander Rebane; Kirk S. Schanze","Phenylene Vinylene Platinum(II) Acetylides with Prodigious Two-Photon Absorption","Journal of the American Chemical Society","2012","134","","19346","19349","10.1021/ja309393c","","","0.71073","MoKα","","0.0416","0.0324","","","0.0786","0.0823","","","","","","1.063","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118929","11.5432","0.0004","12.7958","0.0006","9.2771","0.0004","90","","90","","90","","1370.27","0.1","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H18 Cl3 Fe N O -","- C9 H18 Cl3 Fe N O -","- C36 H72 Cl12 Fe4 N4 O4 -","4","0.5","","Jeremiah J. Scepaniak; Ashley M. Wright; Richard A. Lewis; Guang Wu; Trevor W. Hayton","Tuning the Reactivity of TEMPO by Coordination to a Lewis Acid: Isolation and Reactivity of MCl3(η1-TEMPO) (M = Fe, Al)","Journal of the American Chemical Society","2012","134","","19350","19353","10.1021/ja309499h","","","0.71073","MoKα","","0.0218","0.0193","","","0.0518","0.0537","","","","","","1.061","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118930","11.5381","0.0005","12.7464","0.0006","9.2803","0.0004","90","","90","","90","","1364.85","0.11","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H18 Al Cl3 N O -","- C9 H18 Al Cl3 N O -","- C36 H72 Al4 Cl12 N4 O4 -","4","0.5","","Jeremiah J. Scepaniak; Ashley M. Wright; Richard A. Lewis; Guang Wu; Trevor W. Hayton","Tuning the Reactivity of TEMPO by Coordination to a Lewis Acid: Isolation and Reactivity of MCl3(η1-TEMPO) (M = Fe, Al)","Journal of the American Chemical Society","2012","134","","19350","19353","10.1021/ja309499h","","","0.71073","MoKα","","0.0241","0.0212","","","0.0559","0.0579","","","","","","1.039","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118931","11.5724","0.0003","12.7487","0.0003","9.3096","0.0002","90","","90","","90","","1373.47","0.06","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H19 Cl3 Fe N O -","- C9 H19 Cl3 Fe N O -","- C36 H76 Cl12 Fe4 N4 O4 -","4","0.5","","Jeremiah J. Scepaniak; Ashley M. Wright; Richard A. Lewis; Guang Wu; Trevor W. Hayton","Tuning the Reactivity of TEMPO by Coordination to a Lewis Acid: Isolation and Reactivity of MCl3(η1-TEMPO) (M = Fe, Al)","Journal of the American Chemical Society","2012","134","","19350","19353","10.1021/ja309499h","","","0.71073","MoKα","","0.0201","0.017","","","0.0498","0.0517","","","","","","1.054","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118932","11.5552","0.0002","12.7108","0.0002","9.2728","0.0002","90","","90","","90","","1361.95","0.04","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H19 Al Cl3 N O -","- C9 H19 Al Cl3 N O -","- C36 H76 Al4 Cl12 N4 O4 -","4","0.5","","Jeremiah J. Scepaniak; Ashley M. Wright; Richard A. Lewis; Guang Wu; Trevor W. Hayton","Tuning the Reactivity of TEMPO by Coordination to a Lewis Acid: Isolation and Reactivity of MCl3(η1-TEMPO) (M = Fe, Al)","Journal of the American Chemical Society","2012","134","","19350","19353","10.1021/ja309499h","","","0.71073","MoKα","","0.0241","0.0202","","","0.0553","0.0574","","","","","","1.076","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118933","10.5187","0.0011","13.024","0.0014","16.1258","0.0017","90","","90","","90","","2209.2","0.4","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N2 O4 P -","- C24 H25 N2 O4 P -","- C96 H100 N8 O16 P4 -","4","1","","Masashi Hayashi; Noriyuki Shiomi; Yasuhiro Funahashi; Shuichi Nakamura","Cinchona Alkaloid Amides/Dialkylzinc Catalyzed Enantioselective Desymmetrization of Aziridines with Phosphites","Journal of the American Chemical Society","2012","134","","19366","19369","10.1021/ja309963w","","","0.7107","MoKα","","","0.0321","","","","0.0972","","","","","","1.016","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118934","10.008","0.003","10.996","0.003","30.926","0.01","90","","90","","90","","3403.3","1.8","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H39 Cl N2 O6 -","- C38 H39 Cl N2 O6 -","- C152 H156 Cl4 N8 O24 -","4","1","","Daisuke Uraguchi; Ken Yoshioka; Yusuke Ueki; Takashi Ooi","Highly Regio-, Diastereo-, and Enantioselective 1,6- and 1,8-Additions of Azlactones to Di- and Trienyl N-Acylpyrroles","Journal of the American Chemical Society","2012","134","","19370","19373","10.1021/ja310209g","","","0.71075","MoKα","","0.0927","0.0667","","","0.1619","0.1871","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118935","9.0079","0.0008","6.43969","0.0002","5.16525","0.00018","90","","88.942","0.006","90","","299.58","0.03","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","Cu-sidorenkite","","","- C Cu Na3 O7 P -","- C Cu Na3 O7 P -","- C2 Cu2 Na6 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","2.2897","","","","","","","","","","","1.99","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118936","8.89282","0.00022","6.61758","0.00009","5.1456","0.00007","90","","89.4853","0.0017","90","","302.801","0.009","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","Co-sidorenkite","","","- C Co Na3 O7 P -","- C Co Na3 O7 P -","- C2 Co2 Na6 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","0.775192","","","","","","","","","","","2.54","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118937","8.82621","0.00009","6.586832","0.000027","5.127293","0.000029","90","","89.2669","0.0007","90","","298.06","0.004","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","Ni-sidorenkite","","","- C Na3 Ni O7 P -","- C Na3 Ni O7 P -","- C2 Na6 Ni2 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","0.775192","","","","","","","","","","","2.32","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118938","8.98593","0.00011","6.73577","0.00005","5.15998","0.00004","90","","90.1225","0.0012","90","","312.318","0.005","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","sidorenkite","","","- C Mn Na3 O7 P -","- C Mn Na3 O7 P -","- C2 Mn2 Na6 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","0.775192","","","","","","","","","","","2.4","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118939","8.82663","0.00029","6.61646","0.00009","5.15605","0.0001","90","","89.6919","0.0025","90","","301.114","0.012","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","Mg-sidorenkite","","","- C Mg Na3 O7 P -","- C Mg Na3 O7 P -","- C2 Mg2 Na6 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","2.2897","","","","","","","","","","","1.85","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118940","8.95419","0.00013","6.61129","0.00005","5.16023","0.00005","90","","89.6001","0.0013","90","","305.472","0.006","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","Fe-sidorenkite","","","- C Fe Na3 O7 P -","- C Fe Na3 O7 P -","- C2 Fe2 Na6 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","0.775192","","","","","","","","","","","1.83","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118941","16.825","0.003","8.4463","0.0015","8.3432","0.0014","90","","97.942","0.004","90","","1174.3","0.4","293","2","293","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C13 H10 N O2 P -","- C13 H10 N O2 P -","- C52 H40 N4 O8 P4 -","4","1","","Jesús García López; Antonio Morán Ramallal; Javier González; Laura Roces; Santiago García-Granda; María José Iglesias; Pascual Oña-Burgos; Fernando López Ortiz","Mechanisms of Stereomutation and Thermolysis of Spiro-1,2-oxaphosphetanes: New Insights into the Second Step of the Wittig Reaction","Journal of the American Chemical Society","2012","134","","19504","19507","10.1021/ja307330c","","x-ray","0.71073","MoKα","","0.0667","0.0517","","","0.1208","0.146","","","","","","1.012","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118942","12.427","0.004","11.154","0.004","15.751","0.005","90","","105.241","0.009","90","","2106.5","1.2","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N O2 P -","- C25 H30 N O2 P -","- C100 H120 N4 O8 P4 -","4","1","","Jesús García López; Antonio Morán Ramallal; Javier González; Laura Roces; Santiago García-Granda; María José Iglesias; Pascual Oña-Burgos; Fernando López Ortiz","Mechanisms of Stereomutation and Thermolysis of Spiro-1,2-oxaphosphetanes: New Insights into the Second Step of the Wittig Reaction","Journal of the American Chemical Society","2012","134","","19504","19507","10.1021/ja307330c","","x-ray","0.71073","MoKα","","0.135","0.078","","","0.1414","0.1623","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118943","34.181","0.005","30.283","0.005","23.229","0.005","90","0.005","123.959","0.005","90","0.005","19943","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Cs10.5 H65.5 K4 O196 Si4 Ta16 W36 -","- Cs10.5 K4 O186.3 Si4 Ta16 W36 -","- Cs42 K16 O745.2 Si16 Ta64 W144 -","4","0.5","","Shujun Li; Shumei Liu; Shuxia Liu; Yiwei Liu; Qun Tang; Zhan Shi; Shuxin Ouyang; Jinhua Ye","{Ta12}/{Ta16} Cluster-Containing Polytantalotungstates with Remarkable Photocatalytic H2 Evolution Activity","Journal of the American Chemical Society","2012","134","","19716","19721","10.1021/ja307484a","","","0.71069","MoKα","","0.1342","0.0671","","","0.1659","0.1891","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118944","18.245","0.009","18.245","0.009","27.49","0.016","90","","90","","120","","7925","7","296","2","296","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- Cs3 H18.5 K3.5 O52 Si Ta3 W9 -","- Cs3 K3.5 O46.75 Si Ta3 W9 -","- Cs18 K21 O280.5 Si6 Ta18 W54 -","6","0.166667","","Shujun Li; Shumei Liu; Shuxia Liu; Yiwei Liu; Qun Tang; Zhan Shi; Shuxin Ouyang; Jinhua Ye","{Ta12}/{Ta16} Cluster-Containing Polytantalotungstates with Remarkable Photocatalytic H2 Evolution Activity","Journal of the American Chemical Society","2012","134","","19716","19721","10.1021/ja307484a","","","0.71073","MoKα","","0.0528","0.0458","","","0.1213","0.1246","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118945","14.26","0.0017","14.26","0.0017","41.443","0.008","90","","90","","120","","7298.3","1.9","45","2","45","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C8 H14 Fe2 N O12 -","- C8 H14 Fe2 N O12 -","- C144 H252 Fe36 N18 O216 -","18","0.5","","Laura Cañadillas-Delgado; Oscar Fabelo; J. Alberto Rodríguez-Velamazán; Marie-Hélène Lemée-Cailleau; Sax A. Mason; Emilio Pardo; Francesc Lloret; Jiong-Peng Zhao; Xian-He Bu; Virginie Simonet; Claire V. Colin; Juan Rodríguez-Carvajal","The Role of Order-Disorder Transitions in the Quest for Molecular Multiferroics: Structural and Magnetic Neutron Studies of a Mixed Valence Iron(II)-Iron(III) Formate Framework","Journal of the American Chemical Society","2012","134","","19772","19781","10.1021/ja3082457","","neutron","1.1675","neutron","","0.0453","0.037","","","0.0676","0.0703","","","","","","1.088","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118946","8.255","0.0012","8.255","0.0012","13.891","0.003","90","","90","","120","","819.8","0.2","220","2","220","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe2 N O12 -","- C8 H13.98 Fe2 N0.99 O12 -","- C16 H27.96 Fe4 N1.98 O24 -","2","0.166667","","Laura Cañadillas-Delgado; Oscar Fabelo; J. Alberto Rodríguez-Velamazán; Marie-Hélène Lemée-Cailleau; Sax A. Mason; Emilio Pardo; Francesc Lloret; Jiong-Peng Zhao; Xian-He Bu; Virginie Simonet; Claire V. Colin; Juan Rodríguez-Carvajal","The Role of Order-Disorder Transitions in the Quest for Molecular Multiferroics: Structural and Magnetic Neutron Studies of a Mixed Valence Iron(II)-Iron(III) Formate Framework","Journal of the American Chemical Society","2012","134","","19772","19781","10.1021/ja3082457","","neutron","","neutron","","0.2406","0.18","","","0.2635","0.2777","","","","","","1.513","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118947","8.2485","0.0002","8.2485","0.0002","13.8542","0.0005","90","","90","","120","","816.32","0.04","175","2","175","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe2 N O12 -","- C8 H13.98 Fe2 N0.99 O12 -","- C16 H27.96 Fe4 N1.98 O24 -","2","0.166667","","Laura Cañadillas-Delgado; Oscar Fabelo; J. Alberto Rodríguez-Velamazán; Marie-Hélène Lemée-Cailleau; Sax A. Mason; Emilio Pardo; Francesc Lloret; Jiong-Peng Zhao; Xian-He Bu; Virginie Simonet; Claire V. Colin; Juan Rodríguez-Carvajal","The Role of Order-Disorder Transitions in the Quest for Molecular Multiferroics: Structural and Magnetic Neutron Studies of a Mixed Valence Iron(II)-Iron(III) Formate Framework","Journal of the American Chemical Society","2012","134","","19772","19781","10.1021/ja3082457","","neutron","0.948","neutron","","0.0497","0.0389","","","0.083","0.0875","","","","","","1.062","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118948","22.556","","22.556","","3.4","","90","","90","","120","","1498.08","","","","","","","","","","","","see text","4","P 6/m","-P 6","175","","","","- C6 H4 N O -","- C6 H4 N O -","- C36 H24 N6 O6 -","6","0.5","","Sharath Kandambeth; Arijit Mallick; Binit Lukose; Manoj V. Mane; Thomas Heine; Rahul Banerjee","Construction of Crystalline 2D Covalent Organic Frameworks with Remarkable Chemical (Acid/Base) Stability via a Combined Reversible and Irreversible Route","Journal of the American Chemical Society","2012","134","","19524","19527","10.1021/ja308278w","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118949","22.506","","22.506","","3.5","","90","","90","","120","","1535.31","","","","","","","","","","","","see text","4","P 6/m","-P 6","175","","","","- C7 H6 N O -","- C7 H6 N O -","- C42 H36 N6 O6 -","6","0.5","","Sharath Kandambeth; Arijit Mallick; Binit Lukose; Manoj V. Mane; Thomas Heine; Rahul Banerjee","Construction of Crystalline 2D Covalent Organic Frameworks with Remarkable Chemical (Acid/Base) Stability via a Combined Reversible and Irreversible Route","Journal of the American Chemical Society","2012","134","","19524","19527","10.1021/ja308278w","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118950","7.0714","0.0002","7.1363","0.0002","25.0858","0.0008","92.515","0.002","92.582","0.002","90.047","0.002","1263.41","0.06","99","2","99","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H12 O2 -","- C17 H12 O2 -","- C68 H48 O8 -","4","2","","Suwei Dong; Tian Qin; Ernest Hamel; John A. Beutler; John A. Porco","Synthesis of Chamaecypanone C Analogues fromin Situ-Generated Cyclopentadienones and Their Biological Evaluation","Journal of the American Chemical Society","2012","134","","19782","19787","10.1021/ja3084708","","","1.54178","CuKα","","0.0596","0.05","","","0.1349","0.1426","","","","","","1.03","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118951","30.0265","0.0011","30.0265","0.0011","7.7081","0.0004","90","","90","","120","","6018.5","0.4","293","2","293","2","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C23 H19 Cl2 N4 O4 Zn -","- C23 H19 Cl2 N4 O4 Zn -","- C138 H114 Cl12 N24 O24 Zn6 -","6","0.5","","Guo-Qiang Kong; Sha Ou; Chao Zou; Chuan-De Wu","Assembly and Post-Modification of a Metal-Organic Nanotube for Highly Efficient Catalysis","Journal of the American Chemical Society","2012","134","","19851","19857","10.1021/ja309158a","","","1.54178","CuKα","","0.1026","0.0754","","","0.1801","0.1987","","","","","","1.075","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118952","21.4198","0.0008","21.4198","0.0008","17.4178","0.0008","90","","90","","120","","6920.8","0.5","228","2","228","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C24 H20 Co Cr N4 O4 -","- C24 H20 Co Cr N4 O4 -","- C216 H180 Co9 Cr9 N36 O36 -","9","0.5","","Mona H. Mohamed; Sameh K. Elsaidi; Lukasz Wojtas; Tony Pham; Katherine A. Forrest; Brant Tudor; Brian Space; Michael J. Zaworotko","Highly Selective CO2 Uptake in Uninodal 6-Connected ""mmo"" Nets Based upon MO42- (M = Cr, Mo) Pillars","Journal of the American Chemical Society","2012","134","","19556","19559","10.1021/ja309452y","","","1.54178","CuKα","","0.0589","0.0488","","","0.1197","0.1257","","","","","","1.047","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118953","21.1759","0.0003","21.1759","0.0003","17.4734","0.0003","90","","90","","120","","6785.66","0.18","228","2","228","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C24 H20 Cr N4 Ni O9.17 -","- C24 H20 Cr N4 Ni O9.17333 -","- C216 H180 Cr9 N36 Ni9 O82.56 -","9","0.5","","Mona H. Mohamed; Sameh K. Elsaidi; Lukasz Wojtas; Tony Pham; Katherine A. Forrest; Brant Tudor; Brian Space; Michael J. Zaworotko","Highly Selective CO2 Uptake in Uninodal 6-Connected ""mmo"" Nets Based upon MO42- (M = Cr, Mo) Pillars","Journal of the American Chemical Society","2012","134","","19556","19559","10.1021/ja309452y","","","1.54178","CuKα","","0.0348","0.0327","","","0.0883","0.0891","","","","","","1.083","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118954","21.3191","0.0003","21.3191","0.0003","17.925","0.0003","90","","90","","120","","7055.5","0.18","228","2","228","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C25.33 H20 Co Mo N4.67 O9.36 -","- C25.32 H20 Co Mo N4.66667 O9.359 -","- C227.88 H180 Co9 Mo9 N42 O84.231 -","9","0.5","","Mona H. Mohamed; Sameh K. Elsaidi; Lukasz Wojtas; Tony Pham; Katherine A. Forrest; Brant Tudor; Brian Space; Michael J. Zaworotko","Highly Selective CO2 Uptake in Uninodal 6-Connected ""mmo"" Nets Based upon MO42- (M = Cr, Mo) Pillars","Journal of the American Chemical Society","2012","134","","19556","19559","10.1021/ja309452y","","","1.54178","CuKα","","0.0251","0.0241","","","0.0573","0.0577","","","","","","1.024","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118955","21.0856","0.0009","21.0856","0.0009","17.9678","0.0008","90","","90","","120","","6918.3","0.5","100","2","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C26 H20 Mo N5 Ni O7.58 -","- C25.9867 H20 Mo N5 Ni O7.57 -","- C233.88 H180 Mo9 N45 Ni9 O68.13 -","9","0.5","","Mona H. Mohamed; Sameh K. Elsaidi; Lukasz Wojtas; Tony Pham; Katherine A. Forrest; Brant Tudor; Brian Space; Michael J. Zaworotko","Highly Selective CO2 Uptake in Uninodal 6-Connected ""mmo"" Nets Based upon MO42- (M = Cr, Mo) Pillars","Journal of the American Chemical Society","2012","134","","19556","19559","10.1021/ja309452y","","","0.41328","synchrotron","","0.0323","0.0322","","","0.0869","0.087","","","","","","1.034","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118956","6.523","0.003","18.23","0.008","28.472","0.011","90","","95.491","0.01","90","","3370","3","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","11,11-Bis(p-nitrobenzoyloxymethyl)-3-methyl-13- phenylsulfonylbicyclo[7.4.0]trideca-1(13),2,8-triene","","- C36 H34 N2 O10 S -","- C36 H34 N2 O10 S -","- C144 H136 N8 O40 S4 -","4","1","","Chisato Mukai; Yuu Ohta; Yuki Oura; Yasuaki Kawaguchi; Fuyuhiko Inagaki","Csp3-Csp3 and Csp3-H Bond Activation of 1,1-Disubstituted Cyclopentane","Journal of the American Chemical Society","2012","134","","19580","19583","10.1021/ja309830p","","x-ray","0.71075","MoKα","","","0.0737","","","","0.2457","","","","","","0.997","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118957","8.2318","0.0004","14.4872","0.0007","16.7957","0.0007","114.665","0.003","90.07","0.002","95.4728","0.0014","1810.08","0.15","103","","103","","","","","","","","","5","P -1","-P 1","2","","Bis-1H-indole-2-yl-2-phenylsulfonyl-3-spiro[2.4]hept-1-yl 5-methylenecyclohexane-3-ene dicarboxate","","- C42 H41 N3 O6 S -","- C42 H41 N3 O6 S -","- C84 H82 N6 O12 S2 -","2","1","","Chisato Mukai; Yuu Ohta; Yuki Oura; Yasuaki Kawaguchi; Fuyuhiko Inagaki","Csp3-Csp3 and Csp3-H Bond Activation of 1,1-Disubstituted Cyclopentane","Journal of the American Chemical Society","2012","134","","19580","19583","10.1021/ja309830p","","x-ray","0.71075","MoKα","","","0.0656","","","","0.215","","","","","","1.063","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118958","13.7048","0.0007","18.8549","0.001","29.2118","0.0014","90","","90","","90","","7548.4","0.7","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","TEA[MoTp*(O)(S2BMOPP)]","","","- C45 H67 B Cl18 Mo N12 O4 S2 -","- C39 H61 B Mo N12 O4 S2 -","- C156 H244 B4 Mo4 N48 O16 S8 -","4","1","","Benjamin R. Williams; Yichun Fu; Glenn P. A. Yap; Sharon J. Nieter Burgmayer","Structure and Reversible Pyran Formation in Molybdenum Pyranopterin Dithiolene Models of the Molybdenum Cofactor","Journal of the American Chemical Society","2012","134","","19584","19587","10.1021/ja310018e","","","1.54178","CuKα","","0.1081","0.0666","","","0.1241","0.1334","","","","","","1.058","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118959","14.1966","0.0005","17.0102","0.0005","42.0911","0.0016","90","","97.583","0.002","90","","10075.6","0.6","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","MoTp*(O)(S2BMOPP","","","- C38 H55 B Cl7 Mo N11 O4 S2 -","- C31 H41 B Mo N11 O4 S2 -","- C248 H328 B8 Mo8 N88 O32 S16 -","8","2","","Benjamin R. Williams; Yichun Fu; Glenn P. A. Yap; Sharon J. Nieter Burgmayer","Structure and Reversible Pyran Formation in Molybdenum Pyranopterin Dithiolene Models of the Molybdenum Cofactor","Journal of the American Chemical Society","2012","134","","19584","19587","10.1021/ja310018e","","","0.71073","MoKα","","0.1394","0.0596","","","0.0857","0.0951","","","","","","1.037","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118960","19.3748","0.001","16.0589","0.001","16.0249","0.0011","90","","90","","90","","4986","0.5","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C36 H56 I2 N24 O22 -","- C36 H36 I2 N24 O21 -","- C144 H144 I8 N96 O84 -","4","0.5","","Hamdy S. El-Sheshtawy; Bassem S. Bassil; Khaleel I. Assaf; Ulrich Kortz; Werner M. Nau","Halogen Bonding inside a Molecular Container","Journal of the American Chemical Society","2012","134","","19935","19941","10.1021/ja3102902","","","0.71073","MoKα","","0.0864","0.0738","","","0.2034","0.2163","","","","","","1","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118961","15.7222","0.0015","17.6914","0.0018","24.123","0.002","80.543","0.005","74.26","0.004","63.628","0.004","5778.6","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C144 H192 Br19 I7 N96 Na10 O72 -","- C144 H144 Br18.6 I6.8 N96 Na9.4 O71.5 -","- C144 H144 Br18.6 I6.8 N96 Na9.4 O71.5 -","1","0.5","","Hamdy S. El-Sheshtawy; Bassem S. Bassil; Khaleel I. Assaf; Ulrich Kortz; Werner M. Nau","Halogen Bonding inside a Molecular Container","Journal of the American Chemical Society","2012","134","","19935","19941","10.1021/ja3102902","","","0.71073","MoKα","","0.1045","0.0801","","","0.2005","0.2204","","","","","","1.028","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118962","18.765","0.003","18.765","0.003","46.463","0.012","90","","90","","90","","16361","6","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C33 H14 O10 Zn2 -","- C33 H14 O10 Zn2 -","- C264 H112 O80 Zn16 -","8","0.25","","Natalia B. Shustova; Anthony F. Cozzolino; Mircea Dincă","Conformational Locking by Design: Relating Strain Energy with Luminescence and Stability in Rigid Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","19596","19599","10.1021/ja3103154","","","0.71073","MoKα","","0.1906","0.0542","","","0.1239","0.1573","","","","","","0.885","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118963","11.5732","0.001","13.3707","0.0011","16.0107","0.0013","67.623","0.002","70.792","0.002","88.376","0.002","2150.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H68 Br O2 P Pd -","- C43.5 H68 Br O2 P Pd -","- C87 H136 Br2 O4 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0447","0.0297","","","0.067","0.0726","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118964","8.609","0.0008","9.7","0.0009","21.645","0.002","90.554","0.001","92.547","0.002","101.853","0.001","1766.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H53 Br F O2 P Pd -","- C37 H53 Br F O2 P Pd -","- C74 H106 Br2 F2 O4 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0345","0.0265","","","0.066","0.0702","","","","","","1.035","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118965","11.609","0.001","12.4243","0.0011","13.6746","0.0013","87.071","0.002","89.873","0.002","71.791","0.002","1870.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.5 H55 Br Cl O2 P Pd -","- C37.5 H55 Br Cl O2 P Pd -","- C75 H110 Br2 Cl2 O4 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0305","0.0249","","","0.062","0.0649","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118966","11.6977","0.0008","11.8511","0.0008","16.6091","0.0011","75.678","0.001","71.514","0.001","62.791","0.001","1927.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H62 Cl O2 P Pd -","- C41 H62 Cl O2 P Pd -","- C82 H124 Cl2 O4 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0553","0.0516","","","0.127","0.1292","","","","","","1.198","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118967","11.7507","0.0009","13.3686","0.001","15.8562","0.0012","68.638","0.002","70.57","0.002","88.106","0.002","2176.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H68 I O2 P Pd -","- C43.5 H68 I O2 P Pd -","- C87 H136 I2 O4 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0524","0.0382","","","0.0957","0.1054","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118968","11.2123","0.0012","12.6607","0.0013","16.4926","0.0017","107.799","0.002","94.657","0.002","110.182","0.002","2046.1","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H56 Cl2 F3 O5 P Pd S -","- C39 H56 Cl2 F3 O5 P Pd S -","- C78 H112 Cl4 F6 O10 P2 Pd2 S2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0362","0.0325","","","0.0866","0.0896","","","","","","1.077","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118969","8.7579","0.0011","9.7841","0.0012","20.337","0.003","95.94","0.002","90.071","0.002","91.111","0.002","1732.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H55 Br N P Pd -","- C37 H55 Br N P Pd -","- C74 H110 Br2 N2 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0291","0.0241","","","0.0576","0.06","","","","","","1.038","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118970","11.5252","0.0007","17.2371","0.0011","18.7727","0.0012","94.56","0.001","91.707","0.001","96.906","0.002","3687.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H58 Br P Pd -","- C39 H58 Br P Pd -","- C156 H232 Br4 P4 Pd4 -","4","2","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0301","0.0229","","","0.0528","0.0556","","","","","","1.016","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118971","10.9679","0.0006","14.0266","0.0007","21.0174","0.0011","90","","92.757","0.002","90","","3229.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H50 Br P Pd -","- C35 H50 Br P Pd -","- C140 H200 Br4 P4 Pd4 -","4","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0457","0.0328","","","0.0576","0.0611","","","","","","1.023","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118972","11.0494","0.0004","11.2985","0.0004","14.3488","0.0005","71.16","0.001","76.222","0.001","78.468","0.001","1631.76","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H49 Br N P Pd -","- C36 H49 Br N P Pd -","- C72 H98 Br2 N2 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0213","0.0192","","","0.0485","0.0495","","","","","","1.034","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118973","8.6168","0.0006","20.6232","0.0014","20.7353","0.0014","90","","90","","90","","3684.8","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H59 Br N O P Pd -","- C39 H59 Br N O P Pd -","- C156 H236 Br4 N4 O4 P4 Pd4 -","4","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0181","0.0172","","","0.0422","0.0425","","","","","","1.034","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118974","8.5546","0.0006","10.0043","0.0008","20.8134","0.0016","88.285","0.001","87.619","0.002","77.951","0.001","1740.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H54 Br O P Pd -","- C37 H54 Br O P Pd -","- C74 H108 Br2 O2 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0257","0.0214","","","0.0514","0.0533","","","","","","1.043","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118975","8.5924","0.0005","10.1285","0.0006","21.1575","0.0011","92.227","0.002","93.428","0.002","101.416","0.003","1799.22","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H53 Br N O P Pd -","- C38 H53 Br N O P Pd -","- C76 H106 Br2 N2 O2 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","1.54178","CuKα","","0.0218","0.0214","","","0.0543","0.0545","","","","","","1.046","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118976","19.508","0.003","9.6906","0.001","15.2967","0.0019","90","","133.054","0.003","90","","2113","0.5","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 B N -","- C32 H20 B N -","- C128 H80 B4 N4 -","4","0.5","","Takuji Hatakeyama; Sigma Hashimoto; Tsuyoshi Oba; Masaharu Nakamura","Azaboradibenzo[6]helicene: Carrier Inversion Induced by Helical Homochirality","Journal of the American Chemical Society","2012","134","","19600","19603","10.1021/ja310372f","","","0.7107","MoKα","","","0.0443","","","","0.1157","","","","","","1.001","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118977","10.1906","0.0018","10.1906","0.0018","17.991","0.003","90","","90","","120","","1618","0.5","173","2","173","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C32 H20 B N -","- C32 H20 B N -","- C96 H60 B3 N3 -","3","0.5","","Takuji Hatakeyama; Sigma Hashimoto; Tsuyoshi Oba; Masaharu Nakamura","Azaboradibenzo[6]helicene: Carrier Inversion Induced by Helical Homochirality","Journal of the American Chemical Society","2012","134","","19600","19603","10.1021/ja310372f","","","0.7107","MoKα","","0.0665","0.0588","","","0.1492","0.1541","","","","","","1.086","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118978","9.696","0.003","12.111","0.004","23.872","0.007","90","","90","","90","","2803.2","1.5","173.15","","173","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C35 H25 B Br2 N -","- C35 H25 B Br2 N -","- C140 H100 B4 Br8 N4 -","4","1","","Takuji Hatakeyama; Sigma Hashimoto; Tsuyoshi Oba; Masaharu Nakamura","Azaboradibenzo[6]helicene: Carrier Inversion Induced by Helical Homochirality","Journal of the American Chemical Society","2012","134","","19600","19603","10.1021/ja310372f","","","0.7107","MoKα","","0.065","0.051","","","0.118","0.1278","","","","","","1.073","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118979","11.23","0.002","7.1864","0.0014","20.729","0.004","90","","98.453","0.003","90","","1654.7","0.5","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl N2 O -","- C19 H17 Cl N2 O -","- C76 H68 Cl4 N8 O4 -","4","2","","Xin Feng; Zhi Zhou; Rong Zhou; Qing-Qing Zhou; Lin Dong; Ying-Chun Chen","Stereodivergence in Amine-Catalyzed Regioselective [4 + 2] Cycloadditions of β-Substituted Cyclic Enones and Polyconjugated Malononitriles","Journal of the American Chemical Society","2012","134","","19942","19947","10.1021/ja3106219","","","0.71073","MoKα","","0.0499","0.039","","","0.0697","0.0734","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4118980","7.778","0.0016","10.516","0.002","11.757","0.002","115.63","0.03","100.45","0.03","100.87","0.03","813.1","0.4","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H17 Cl N2 O -","- C19 H17 Cl N2 O -","- C38 H34 Cl2 N4 O2 -","2","2","","Xin Feng; Zhi Zhou; Rong Zhou; Qing-Qing Zhou; Lin Dong; Ying-Chun Chen","Stereodivergence in Amine-Catalyzed Regioselective [4 + 2] Cycloadditions of β-Substituted Cyclic Enones and Polyconjugated Malononitriles","Journal of the American Chemical Society","2012","134","","19942","19947","10.1021/ja3106219","","","0.71073","MoKα","","0.0683","0.0656","","","0.1591","0.1624","","","","","","0.998","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4118981","10.151","0.003","14.758","0.004","15.422","0.005","81.19","0.006","70.859","0.004","74.747","0.005","2100.1","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H64 N3 P2 Sc -","- C44 H64 N3 P2 Sc -","- C88 H128 N6 P4 Sc2 -","2","1","","Benjamin F. Wicker; Hongjun Fan; Anne K. Hickey; Marco G. Crestani; Jennifer Scott; Maren Pink; Daniel J. Mindiola","Evidence for the Existence of Terminal Scandium Imidos: Mechanistic Studies Involving Imido-Scandium Bond Formation and C-H Activation Reactions","Journal of the American Chemical Society","2012","134","","20081","20096","10.1021/ja307279r","","","0.71073","MoKα","","0.0911","0.0484","","","0.1005","0.1148","","","","","","1.007","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118982","10.871","0.0018","12.1829","0.0018","17.163","0.003","84.857","0.003","88.537","0.003","65.067","0.003","2052.7","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H64 N3 P2 Sc -","- C44 H64 N3 P2 Sc -","- C88 H128 N6 P4 Sc2 -","2","1","","Benjamin F. Wicker; Hongjun Fan; Anne K. Hickey; Marco G. Crestani; Jennifer Scott; Maren Pink; Daniel J. Mindiola","Evidence for the Existence of Terminal Scandium Imidos: Mechanistic Studies Involving Imido-Scandium Bond Formation and C-H Activation Reactions","Journal of the American Chemical Society","2012","134","","20081","20096","10.1021/ja307279r","","","0.71073","MoKα","","0.0804","0.0457","","","0.1029","0.1165","","","","","","1.002","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118983","26.184","0.002","26.175","0.002","18.4154","0.0017","90","","132.259","0.001","90","","9341.2","1.3","188","2","188","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","lithium sodium U24","","","- Li2 Na21 O200 U24 -","- Li2 Na21 O200 U24 -","- Li4 Na42 O400 U48 -","2","0.25","","May Nyman; Todd M. Alam","Dynamics of Uranyl Peroxide Nanocapsules","Journal of the American Chemical Society","2012","134","","20131","20138","10.1021/ja308673f","","","0.71073","MoKα","","0.0426","0.0336","","","0.0868","0.0912","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118984","9.6294","0.0005","29.9291","0.0015","9.7605","0.0005","90","","116.237","0.002","90","","2523.2","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H22 Br Cl O4 S -","- C28 H22 Br Cl O4 S -","- C112 H88 Br4 Cl4 O16 S4 -","4","2","","Yi Luan; Scott E. Schaus","Enantioselective Addition of Boronates too-Quinone Methides Catalyzed by Chiral Biphenols","Journal of the American Chemical Society","2012","134","","19965","19968","10.1021/ja309076g","","","0.71073","MoKα","","0.0391","0.0287","","","0.064","0.067","","","","","","1.016","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118985","8.334","0.004","16.431","0.007","23.614","0.01","90","","98.9292","0.0015","90","","3194","2","103.15","","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 B F2 N2 -","- C35 H53 B F2 N2 -","- C140 H212 B4 F8 N8 -","4","1","","Yoshitaka Aramaki; Hideki Omiya; Makoto Yamashita; Koji Nakabayashi; Shin-ichi Ohkoshi; Kyoko Nozaki","Synthesis and Characterization of B-Heterocyclic π-Radical and Its Reactivity as a Boryl Radical","Journal of the American Chemical Society","2012","134","","19989","19992","10.1021/ja3094372","","","0.7107","MoKα","","0.071","0.0571","","","0.1232","0.1306","","","","","","1.151","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118986","10.724","0.004","20.898","0.008","28.226","0.011","90","","90","","90","","6326","4","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H53 B F N2 -","- C35 H53 B F N2 -","- C280 H424 B8 F8 N16 -","8","1","","Yoshitaka Aramaki; Hideki Omiya; Makoto Yamashita; Koji Nakabayashi; Shin-ichi Ohkoshi; Kyoko Nozaki","Synthesis and Characterization of B-Heterocyclic π-Radical and Its Reactivity as a Boryl Radical","Journal of the American Chemical Society","2012","134","","19989","19992","10.1021/ja3094372","","","0.7107","MoKα","","0.1112","0.0949","","","0.1745","0.1811","","","","","","1.295","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118987","16.741","0.004","9.664","0.002","22.416","0.005","90","","104.58","0.007","90","","3509.8","1.4","93.15","","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H110 B2 F2 N4 O2 -","- C76 H110 B2 F2 N4 O2 -","- C152 H220 B4 F4 N8 O4 -","2","0.5","","Yoshitaka Aramaki; Hideki Omiya; Makoto Yamashita; Koji Nakabayashi; Shin-ichi Ohkoshi; Kyoko Nozaki","Synthesis and Characterization of B-Heterocyclic π-Radical and Its Reactivity as a Boryl Radical","Journal of the American Chemical Society","2012","134","","19989","19992","10.1021/ja3094372","","","0.71075","MoKα","","0.0983","0.0599","","","0.1369","0.1622","","","","","","1.073","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118988","23.803","0.006","24.237","0.005","16.56","0.004","90","","125.035","0.003","90","","7823","3","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H58 B F N2 O2 -","- C42 H58 B F N2 O2 -","- C336 H464 B8 F8 N16 O16 -","8","1","","Yoshitaka Aramaki; Hideki Omiya; Makoto Yamashita; Koji Nakabayashi; Shin-ichi Ohkoshi; Kyoko Nozaki","Synthesis and Characterization of B-Heterocyclic π-Radical and Its Reactivity as a Boryl Radical","Journal of the American Chemical Society","2012","134","","19989","19992","10.1021/ja3094372","","","0.71075","MoKα","","0.0941","0.0605","","","0.1629","0.1878","","","","","","1.05","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118989","5.9166","0.0002","13.7691","0.0005","15.2416","0.0005","90.41","0.002","95.548","0.002","96.1","0.002","1228.67","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H30 O4 -","- C27 H30 O4 -","- C54 H60 O8 -","2","1","","Xin Cui; Xue Xu; Lukasz Wojtas; Martin M. Kim; X. Peter Zhang","Regioselective Synthesis of Multisubstituted Furans via Metalloradical Cyclization of Alkynes with α-Diazocarbonyls: Construction of Functionalized α-Oligofurans","Journal of the American Chemical Society","2012","134","","19981","19984","10.1021/ja309446n","","","1.54178","CuKα","","0.0666","0.0477","","","0.1179","0.1253","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118990","7.0249","0.0004","10.3298","0.0005","11.2418","0.0005","108.321","0.003","93.281","0.003","92.027","0.003","771.92","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 Cl N3 O -","- C15 H18 Cl N3 O -","- C30 H36 Cl2 N6 O2 -","2","1","","Xin Cui; Xue Xu; Lukasz Wojtas; Martin M. Kim; X. Peter Zhang","Regioselective Synthesis of Multisubstituted Furans via Metalloradical Cyclization of Alkynes with α-Diazocarbonyls: Construction of Functionalized α-Oligofurans","Journal of the American Chemical Society","2012","134","","19981","19984","10.1021/ja309446n","","","1.54178","CuKα","","0.073","0.0474","","","0.1055","0.1164","","","","","","0.949","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118991","9.7833","0.0004","10.3659","0.0005","13.4336","0.0005","94.021","0.003","98.768","0.003","90.566","0.003","1342.81","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 O9 Si -","- C29 H26 O9 Si -","- C58 H52 O18 Si2 -","2","1","","Xin Cui; Xue Xu; Lukasz Wojtas; Martin M. Kim; X. Peter Zhang","Regioselective Synthesis of Multisubstituted Furans via Metalloradical Cyclization of Alkynes with α-Diazocarbonyls: Construction of Functionalized α-Oligofurans","Journal of the American Chemical Society","2012","134","","19981","19984","10.1021/ja309446n","","","1.54178","CuKα","","0.0812","0.0593","","","0.1514","0.1761","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118992","19.0446","0.0015","13.135","0.001","19.9003","0.0016","90","","106.515","0.003","90","","4772.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 B S -","- C32 H23 B S -","- C256 H184 B8 S8 -","8","2","","Holger Braunschweig; Alexander Damme; J. Oscar C. Jimenez-Halla; Christian Hörl; Ivo Krummenacher; Thomas Kupfer; Lisa Mailänder; Krzysztof Radacki","1-Heteroaromatic-Substituted Tetraphenylboroles: π-π Interactions Between Aromatic and Antiaromatic Rings Through a B-C Bond","Journal of the American Chemical Society","2012","134","","20169","20177","10.1021/ja309935t","","","0.71073","MoKα","","0.0731","0.0489","","","0.1183","0.1327","","","","","","1.019","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118993","23.004","0.016","12.385","0.009","22.553","0.016","90","","115.261","0.011","90","","5811","7","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 B S Si -","- C35 H31 B S Si -","- C280 H248 B8 S8 Si8 -","8","2","","Holger Braunschweig; Alexander Damme; J. Oscar C. Jimenez-Halla; Christian Hörl; Ivo Krummenacher; Thomas Kupfer; Lisa Mailänder; Krzysztof Radacki","1-Heteroaromatic-Substituted Tetraphenylboroles: π-π Interactions Between Aromatic and Antiaromatic Rings Through a B-C Bond","Journal of the American Chemical Society","2012","134","","20169","20177","10.1021/ja309935t","","","0.71073","MoKα","","0.0677","0.0399","","","0.0884","0.1034","","","","","","1.041","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118994","5.8245","0.0008","11.9115","0.0019","20.946","0.003","86.191","0.005","83.922","0.006","83.466","0.005","1433.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H31 B O -","- C39 H31 B O -","- C78 H62 B2 O2 -","2","1","","Holger Braunschweig; Alexander Damme; J. Oscar C. Jimenez-Halla; Christian Hörl; Ivo Krummenacher; Thomas Kupfer; Lisa Mailänder; Krzysztof Radacki","1-Heteroaromatic-Substituted Tetraphenylboroles: π-π Interactions Between Aromatic and Antiaromatic Rings Through a B-C Bond","Journal of the American Chemical Society","2012","134","","20169","20177","10.1021/ja309935t","","","0.71073","MoKα","","0.0758","0.0593","","","0.1382","0.145","","","","","","1.176","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118995","9.915","0.0006","9.915","0.0006","25.0921","0.0015","90","","90","","90","","2466.7","0.3","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C33 H26 B N -","- C33 H26 B N -","- C132 H104 B4 N4 -","4","0.5","","Holger Braunschweig; Alexander Damme; J. Oscar C. Jimenez-Halla; Christian Hörl; Ivo Krummenacher; Thomas Kupfer; Lisa Mailänder; Krzysztof Radacki","1-Heteroaromatic-Substituted Tetraphenylboroles: π-π Interactions Between Aromatic and Antiaromatic Rings Through a B-C Bond","Journal of the American Chemical Society","2012","134","","20169","20177","10.1021/ja309935t","","","0.71073","MoKα","","0.0511","0.0397","","","0.0913","0.0958","","","","","","1.139","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118996","12.177","0.006","22.427","0.012","13.406","0.007","90","","93.599","0.018","90","","3654","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 B N3 -","- C46 H42 B N3 -","- C184 H168 B4 N12 -","4","1","","Holger Braunschweig; Alexander Damme; J. Oscar C. Jimenez-Halla; Christian Hörl; Ivo Krummenacher; Thomas Kupfer; Lisa Mailänder; Krzysztof Radacki","1-Heteroaromatic-Substituted Tetraphenylboroles: π-π Interactions Between Aromatic and Antiaromatic Rings Through a B-C Bond","Journal of the American Chemical Society","2012","134","","20169","20177","10.1021/ja309935t","","","0.71073","MoKα","","0.0899","0.0462","","","0.0952","0.1112","","","","","","1.015","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118997","12.8065","0.0005","16.3767","0.0007","15.7886","0.0007","90","","90.731","0.002","90","","3311","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H68 B2 Cl4 N4 S2 -","- C80 H68 B2 Cl4 N4 S2 -","- C160 H136 B4 Cl8 N8 S4 -","2","0.5","","Holger Braunschweig; Alexander Damme; J. Oscar C. Jimenez-Halla; Christian Hörl; Ivo Krummenacher; Thomas Kupfer; Lisa Mailänder; Krzysztof Radacki","1-Heteroaromatic-Substituted Tetraphenylboroles: π-π Interactions Between Aromatic and Antiaromatic Rings Through a B-C Bond","Journal of the American Chemical Society","2012","134","","20169","20177","10.1021/ja309935t","","","0.71073","MoKα","","0.0732","0.0465","","","0.1212","0.135","","","","","","1.047","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118998","5.22","0.002","12.634","0.005","24.533","0.01","90","","90","","90","","1617.9","1.1","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","","Tao Xu; Haye Min Ko; Nikolas A. Savage; Guangbin Dong","Highly Enantioselective Rh-Catalyzed Carboacylation of Olefins: Efficient Syntheses of Chiral Poly-Fused Rings","Journal of the American Chemical Society","2012","134","","20005","20008","10.1021/ja309978c","","","0.71075","MoKα","","0.1939","0.0776","","","0.0984","0.1347","","","","","","0.994","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118999","7.803","0.002","8.447","0.002","15.916","0.004","90","","90","","90","","1049.1","0.5","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","1","","Tao Xu; Haye Min Ko; Nikolas A. Savage; Guangbin Dong","Highly Enantioselective Rh-Catalyzed Carboacylation of Olefins: Efficient Syntheses of Chiral Poly-Fused Rings","Journal of the American Chemical Society","2012","134","","20005","20008","10.1021/ja309978c","","","0.71075","MoKα","","0.0662","0.0515","","","0.1188","0.1272","","","","","","1.029","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4119000","15.455","0.002","14.2299","0.0014","9.9701","0.0009","90","","90","","90","","2192.7","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H20 O2 -","- C13 H20 O2 -","- C104 H160 O16 -","8","1","","Tao Xu; Haye Min Ko; Nikolas A. Savage; Guangbin Dong","Highly Enantioselective Rh-Catalyzed Carboacylation of Olefins: Efficient Syntheses of Chiral Poly-Fused Rings","Journal of the American Chemical Society","2012","134","","20005","20008","10.1021/ja309978c","","","0.71075","MoKα","","0.0842","0.0765","","","0.1271","0.1299","","","","","","1.346","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119001","6.391","0.001","12.075","0.002","18.79","0.002","90","","90","","90","","1450","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O2 -","- C17 H26 O2 -","- C68 H104 O8 -","4","1","","Tao Xu; Haye Min Ko; Nikolas A. Savage; Guangbin Dong","Highly Enantioselective Rh-Catalyzed Carboacylation of Olefins: Efficient Syntheses of Chiral Poly-Fused Rings","Journal of the American Chemical Society","2012","134","","20005","20008","10.1021/ja309978c","","","0.71075","MoKα","","0.1015","0.0768","","","0.1173","0.1259","","","","","","1.081","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119002","6.855","0.003","11.073","0.005","18.409","0.008","90","","90","","90","","1397.3","1.1","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O2 -","- C17 H26 O2 -","- C68 H104 O8 -","4","1","","Tao Xu; Haye Min Ko; Nikolas A. Savage; Guangbin Dong","Highly Enantioselective Rh-Catalyzed Carboacylation of Olefins: Efficient Syntheses of Chiral Poly-Fused Rings","Journal of the American Chemical Society","2012","134","","20005","20008","10.1021/ja309978c","","","0.71075","MoKα","","0.2127","0.0824","","","0.1461","0.1822","","","","","","0.963","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119003","8.059","0.004","12.224","0.005","15.477","0.007","90","","90","","90","","1524.7","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","","Lijun Zhou; Zhiming Li; Yue Zou; Quanrui Wang; Italo A. Sanhueza; Franziska Schoenebeck; Andreas Goeke","Tandem Nucleophilic Addition/Oxy-2-azonia-Cope Rearrangement for the Formation of Homoallylic Amides and Lactams: Total Synthesis and Structural Verification of Motuporamine G","Journal of the American Chemical Society","2012","134","","20009","20012","10.1021/ja310002m","","","0.71073","MoKα","","0.0474","0.0412","","","0.1011","0.1041","","","","","","0.996","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119004","12.566","0.006","12.26","0.005","10.22","0.005","90","","102.514","0.006","90","","1537.1","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O -","- C18 H23 N O -","- C72 H92 N4 O4 -","4","1","","Lijun Zhou; Zhiming Li; Yue Zou; Quanrui Wang; Italo A. Sanhueza; Franziska Schoenebeck; Andreas Goeke","Tandem Nucleophilic Addition/Oxy-2-azonia-Cope Rearrangement for the Formation of Homoallylic Amides and Lactams: Total Synthesis and Structural Verification of Motuporamine G","Journal of the American Chemical Society","2012","134","","20009","20012","10.1021/ja310002m","","","0.71073","MoKα","","0.0763","0.0649","","","0.1733","0.1829","","","","","","1.059","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119005","9.849","0.004","11.546","0.005","19.915","0.008","90","","95.101","0.005","90","","2255.7","1.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H34 N2 O4 -","- C23 H34 N2 O4 -","- C92 H136 N8 O16 -","4","1","","Lijun Zhou; Zhiming Li; Yue Zou; Quanrui Wang; Italo A. Sanhueza; Franziska Schoenebeck; Andreas Goeke","Tandem Nucleophilic Addition/Oxy-2-azonia-Cope Rearrangement for the Formation of Homoallylic Amides and Lactams: Total Synthesis and Structural Verification of Motuporamine G","Journal of the American Chemical Society","2012","134","","20009","20012","10.1021/ja310002m","","","0.71073","MoKα","","0.0811","0.0619","","","0.1526","0.1665","","","","","","1.056","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119006","6.751","0.002","10.752","0.003","14.225","0.005","90","","101.543","0.005","90","","1011.7","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H26 N2 O5 S -","- C19 H26 N2 O5 S -","- C38 H52 N4 O10 S2 -","2","1","","Lijun Zhou; Zhiming Li; Yue Zou; Quanrui Wang; Italo A. Sanhueza; Franziska Schoenebeck; Andreas Goeke","Tandem Nucleophilic Addition/Oxy-2-azonia-Cope Rearrangement for the Formation of Homoallylic Amides and Lactams: Total Synthesis and Structural Verification of Motuporamine G","Journal of the American Chemical Society","2012","134","","20009","20012","10.1021/ja310002m","","","0.71073","MoKα","","0.0751","0.0554","","","0.1179","0.1254","","","","","","0.977","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119007","6.7451","0.0013","14.825","0.003","16.546","0.004","90","","90","","90","","1654.5","0.6","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Cl2 N O3 -","- C18 H13 Cl2 N O3 -","- C72 H52 Cl8 N4 O12 -","4","1","","Takuya Oguma; Tsutomu Katsuki","Iron-Catalyzed Dioxygen-Driven C-C Bond Formation: Oxidative Dearomatization of 2-Naphthols with Construction of a Chiral Quaternary Stereocenter","Journal of the American Chemical Society","2012","134","","20017","20020","10.1021/ja310203c","","","0.71075","MoKα","","","0.0828","","","","0.1627","","","","","","1.099","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119008","7.0718","0.0017","9.922","0.003","19.048","0.005","90","","95.248","0.005","90","","1330.9","0.6","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","2","","Takuya Oguma; Tsutomu Katsuki","Iron-Catalyzed Dioxygen-Driven C-C Bond Formation: Oxidative Dearomatization of 2-Naphthols with Construction of a Chiral Quaternary Stereocenter","Journal of the American Chemical Society","2012","134","","20017","20020","10.1021/ja310203c","","","0.71075","MoKα","","","0.0693","","","","0.1988","","","","","","1.092","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119009","16.4767","0.0003","4.7717","0.0001","20.1538","0.0004","90","","111.124","0.001","90","","1478.05","0.05","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 Br O3 -","- C15 H21 Br O3 -","- C60 H84 Br4 O12 -","4","2","","Mi Jung Kim; Te-ik Sohn; Deukjoon Kim; Robert S. Paton","Concise Substrate-Controlled Asymmetric Total Syntheses of Dioxabicyclic Marine Natural Products with 2,10-Dioxabicyclo-[7.3.0]dodecene and 2,9-Dioxabicyclo[6.3.0]undecene Skeletons","Journal of the American Chemical Society","2012","134","","20178","20188","10.1021/ja310249u","","","0.71073","MoKα","","0.0521","0.0368","","","0.0662","0.0709","","","","","","0.966","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119010","5.1753","0.0009","8.4468","0.0011","30.485","0.005","90","","90","","90","","1332.6","0.4","294","","294","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Br N O2 -","- C13 H18 Br N O2 -","- C52 H72 Br4 N4 O8 -","4","1","","Mi Jung Kim; Te-ik Sohn; Deukjoon Kim; Robert S. Paton","Concise Substrate-Controlled Asymmetric Total Syntheses of Dioxabicyclic Marine Natural Products with 2,10-Dioxabicyclo-[7.3.0]dodecene and 2,9-Dioxabicyclo[6.3.0]undecene Skeletons","Journal of the American Chemical Society","2012","134","","20178","20188","10.1021/ja310249u","","","0.71075","MoKα","","","0.0336","","","","0.092","","","","","","1.121","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119011","5.1865","0.0001","20.1756","0.0003","7.4953","0.0001","90","","104.071","0.001","90","","760.78","0.02","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 Br2 O2 -","- C15 H20 Br2 O2 -","- C30 H40 Br4 O4 -","2","1","","Mi Jung Kim; Te-ik Sohn; Deukjoon Kim; Robert S. Paton","Concise Substrate-Controlled Asymmetric Total Syntheses of Dioxabicyclic Marine Natural Products with 2,10-Dioxabicyclo-[7.3.0]dodecene and 2,9-Dioxabicyclo[6.3.0]undecene Skeletons","Journal of the American Chemical Society","2012","134","","20178","20188","10.1021/ja310249u","","","0.71073","MoKα","","0.0201","0.0194","","","0.0447","0.0448","","","","","","0.939","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119012","9.1401","0.0005","8.7933","0.0004","9.4025","0.0004","90","","91.943","0.002","90","","755.26","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 Cl O6 -","- C15 H15 Cl O6 -","- C30 H30 Cl2 O12 -","2","1","","Kimberly M. Steward; Michael T. Corbett; C. Guy Goodman; Jeffrey S. Johnson","Asymmetric Synthesis of Diverse Glycolic Acid Scaffolds via Dynamic Kinetic Resolution of α-Keto Esters","Journal of the American Chemical Society","2012","134","","20197","20206","10.1021/ja3102709","","","1.54184","CuKα","","0.0256","0.0254","","","0.0608","0.0609","","","","","","1.061","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119013","11.8248","0.0019","25.228","0.004","17.106","0.003","90","","90","","90","","5103","1.5","100","2","100","2","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","","","- C48 H72 Si10 -","- C48 H72 Si10 -","- C192 H288 Si40 -","4","0.25","","Takashi Abe; Ryoji Tanaka; Shintaro Ishida; Mitsuo Kira; Takeaki Iwamoto","New Isolable Dialkylsilylene and Its Isolable Dimer That Equilibrate in Solution","Journal of the American Chemical Society","2012","134","","20029","20032","10.1021/ja310391m","","","0.71073","MoKα","","0.0409","0.0352","","","0.0925","0.0985","","","","","","1.083","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119014","12.045","0.001","6.7445","0.0004","16.898","0.001","90","0.001","102.847","0.001","90","0.001","1338.39","0.16","173.1","","173.1","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 Si5 -","- C24 H36 Si5 -","- C48 H72 Si10 -","2","1","","Takashi Abe; Ryoji Tanaka; Shintaro Ishida; Mitsuo Kira; Takeaki Iwamoto","New Isolable Dialkylsilylene and Its Isolable Dimer That Equilibrate in Solution","Journal of the American Chemical Society","2012","134","","20029","20032","10.1021/ja310391m","","","0.7107","MoKα","","","0.0295","","","","0.0684","","","","","","0.839","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119015","13.1141","0.0008","5.6496","0.0003","22.6159","0.0014","90","","106.438","0.001","90","","1607.11","0.16","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Br -","- C22 H17 Br -","- C88 H68 Br4 -","4","1","","Kathryn A. Moore; Jesus S. Vidaurri-Martinez; Dasan M. Thamattoor","The Benzylidenecarbene-Phenylacetylene Rearrangement: An Experimental and Computational Study","Journal of the American Chemical Society","2012","134","","20037","20040","10.1021/ja310440e","","","0.71073","MoKα","","0.0475","0.04","","","0.102","0.1063","","","","","","0.959","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119016","4.74","0.0004","17.2999","0.0014","17.9831","0.0014","90","","93.957","0.001","90","","1471.1","0.2","93","2","93","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 -","- C22 H16 -","- C88 H64 -","4","1","","Kathryn A. Moore; Jesus S. Vidaurri-Martinez; Dasan M. Thamattoor","The Benzylidenecarbene-Phenylacetylene Rearrangement: An Experimental and Computational Study","Journal of the American Chemical Society","2012","134","","20037","20040","10.1021/ja310440e","","","0.71073","MoKα","","0.0653","0.0458","","","0.1284","0.1497","","","","","","1.015","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119017","14.552","0.004","17.226","0.005","22.142","0.006","87.924","0.005","73.64","0.005","77.2","0.005","5191","3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","L(Me)Fe(tBupy)2","","","- C47 H67 Fe N4 -","- C47 H67 Fe N4 -","- C188 H268 Fe4 N16 -","4","2","","Thomas R. Dugan; Eckhard Bill; K. Cory MacLeod; Gemma J. Christian; Ryan E. Cowley; William W. Brennessel; Shengfa Ye; Frank Neese; Patrick L. Holland","Reversible C-C Bond Formation between Redox-Active Pyridine Ligands in Iron Complexes","Journal of the American Chemical Society","2012","134","","20352","20364","10.1021/ja305679m","","","0.71073","MoKα","","0.1718","0.0946","","","0.2333","0.2683","","","","","","0.94","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119018","14.676","0.003","34.656","0.008","14.788","0.003","90","","90","","90","","7521","3","100","0.1","100","0.1","","","","","","","","4","P n n a","-P 2a 2bc","52","[L(Me)Fe]2(u-C10H10N2)","","","- C83 H114 Fe2 N8 -","- C83 H114 Fe2 N8 -","- C332 H456 Fe8 N32 -","4","0.5","","Thomas R. Dugan; Eckhard Bill; K. Cory MacLeod; Gemma J. Christian; Ryan E. Cowley; William W. Brennessel; Shengfa Ye; Frank Neese; Patrick L. Holland","Reversible C-C Bond Formation between Redox-Active Pyridine Ligands in Iron Complexes","Journal of the American Chemical Society","2012","134","","20352","20364","10.1021/ja305679m","","","0.71073","MoKα","","0.1099","0.0649","","","0.1244","0.1417","","","","","","1.064","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119019","14.783","0.002","17.156","0.003","18.848","0.003","90","","92.15","0.003","90","","4776.8","1.3","100","0.5","100","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","holkcm01","","","- C58 H66 Fe N4 -","- C58 H66 Fe N4 -","- C232 H264 Fe4 N16 -","4","1","","Thomas R. Dugan; Eckhard Bill; K. Cory MacLeod; Gemma J. Christian; Ryan E. Cowley; William W. Brennessel; Shengfa Ye; Frank Neese; Patrick L. Holland","Reversible C-C Bond Formation between Redox-Active Pyridine Ligands in Iron Complexes","Journal of the American Chemical Society","2012","134","","20352","20364","10.1021/ja305679m","","","0.71073","MoKα","","0.1425","0.0666","","","0.1239","0.1513","","","","","","1.013","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119020","11.6446","0.0006","24.0079","0.0011","13.3326","0.0006","90","","99.087","0.002","90","","3680.5","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","RuCppH","","","- C30 H23 F12 N7 O4 P2 Ru -","- C30 H23 F12 N7 O4 P2 Ru -","- C120 H92 F48 N28 O16 P8 Ru4 -","4","1","","Vanessa Pierroz; Tanmaya Joshi; Anna Leonidova; Cristina Mari; Julia Schur; Ingo Ott; Leone Spiccia; Stefano Ferrari; Gilles Gasser","Molecular and Cellular Characterization of the Biological Effects of Ruthenium(II) Complexes Incorporating 2-Pyridyl-2-pyrimidine-4-carboxylic Acid","Journal of the American Chemical Society","2012","134","","20376","20387","10.1021/ja307288s","","","0.71073","MoKα","","0.0598","0.0488","","","0.1309","0.1401","","","","","","1.03","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119021","15.8449","0.0007","14.7672","0.0008","16.7863","0.0009","90","","99.325","0.003","90","","3875.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","RuCppLOH","","","- C36 H34 Cl2 N8 O13 Ru -","- C36 H34 Cl2 N8 O13 Ru -","- C144 H136 Cl8 N32 O52 Ru4 -","4","1","","Vanessa Pierroz; Tanmaya Joshi; Anna Leonidova; Cristina Mari; Julia Schur; Ingo Ott; Leone Spiccia; Stefano Ferrari; Gilles Gasser","Molecular and Cellular Characterization of the Biological Effects of Ruthenium(II) Complexes Incorporating 2-Pyridyl-2-pyrimidine-4-carboxylic Acid","Journal of the American Chemical Society","2012","134","","20376","20387","10.1021/ja307288s","","","0.71073","MoKα","","0.076","0.0529","","","0.1321","0.1445","","","","","","1.106","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119022","32.527","0.007","10.868","0.002","16.48","0.003","90","","119.26","0.03","90","","5082","2","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H35 P -","- C31 H35 P -","- C248 H280 P8 -","8","1","","Weizhi Geng; Wen-Xiong Zhang; Wei Hao; Zhenfeng Xi","Cyclopentadiene-Phosphine/Palladium-Catalyzed Cleavage of C-N Bonds in Secondary Amines: Synthesis of Pyrrole and Indole Derivatives from Secondary Amines and Alkenyl or Aryl Dibromides","Journal of the American Chemical Society","2012","134","","20230","20233","10.1021/ja308950d","","","0.71073","MoKα","","0.1092","0.0499","","","0.0656","0.0712","","","","","","0.845","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4119023","12.776","0.003","16.646","0.003","14.441","0.003","90","","115.63","0.03","90","","2769","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H68 Cl2 P2 Pd2 -","- C62 H68 Cl2 P2 Pd2 -","- C124 H136 Cl4 P4 Pd4 -","2","1","","Weizhi Geng; Wen-Xiong Zhang; Wei Hao; Zhenfeng Xi","Cyclopentadiene-Phosphine/Palladium-Catalyzed Cleavage of C-N Bonds in Secondary Amines: Synthesis of Pyrrole and Indole Derivatives from Secondary Amines and Alkenyl or Aryl Dibromides","Journal of the American Chemical Society","2012","134","","20230","20233","10.1021/ja308950d","","","0.71073","MoKα","","0.1261","0.0558","","","0.1226","0.161","","","","","","0.993","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119024","6.8131","0.0019","15.782","0.004","11.155","0.003","90","","103.078","0.004","90","","1168.3","0.5","100","2","100","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","RH430","","","- C50 H50 O16 Zn2 -","- C44 H26 O10 Zn2 -","- C44 H26 O10 Zn2 -","1","0.25","","Kyriakos C. Stylianou; Jeremy Rabone; Samantha Y. Chong; Romain Heck; Jayne Armstrong; Paul V. Wiper; Kim E. Jelfs; Sergey Zlatogorsky; John Bacsa; Alec G. McLennan; Christopher P. Ireland; Yaroslav Z. Khimyak; K. Mark Thomas; Darren Bradshaw; Matthew J. Rosseinsky","Dimensionality Transformation through Paddlewheel Reconfiguration in a Flexible and Porous Zn-Based Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","20466","20478","10.1021/ja308995t","","","0.71073","MoKα","","0.0495","0.0446","","","0.1225","0.1261","","","","","","1.061","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119025","9.2783","0.0016","10.75","0.002","11.287","0.002","87.708","0.008","80.253","0.006","70.918","0.007","1048.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 Fe2 N4 Si4 -","- C36 H56 Fe2 N4 Si4 -","- C36 H56 Fe2 N4 Si4 -","1","0.5","","Takuji Hatakeyama; Ryuji Imayoshi; Yuya Yoshimoto; Sujit K. Ghorai; Masayoshi Jin; Hikaru Takaya; Kazuhiro Norisuye; Yoshiki Sohrin; Masaharu Nakamura","Iron-Catalyzed Aromatic Amination for Nonsymmetrical Triarylamine Synthesis","Journal of the American Chemical Society","2012","134","","20262","20265","10.1021/ja309845k","","","0.7107","MoKα","","0.042","0.0355","","","0.0844","0.0881","","","","","","1.046","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119026","20.3811","0.0006","26.9813","0.0009","27.5389","0.0009","106.895","0.002","91.108","0.002","96.509","0.002","14375.1","0.8","202","2","202","2","","","","","","","","7","P -1","-P 1","2","Au24(PPh3)10(SR)5ClBr","","","- C220 H185 Au24 Br1.34 Cl0.67 P10 S5 -","- C220 H185 Au24 Br1.357 Cl0.643 P10 S5 -","- C440 H370 Au48 Br2.714 Cl1.286 P20 S10 -","2","1","","Anindita Das; Tao Li; Katsuyuki Nobusada; Qiong Zeng; Nathaniel L. Rosi; Rongchao Jin","Total Structure and Optical Properties of a Phosphine/Thiolate-Protected Au24 Nanocluster","Journal of the American Chemical Society","2012","134","","20286","20289","10.1021/ja3101566","","","1.54178","CuKα","","0.0958","0.0533","","","0.156","0.1861","","","","","","1.031","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119027","13.0071","0.0007","6.7819","0.0004","22.038","0.0015","90","","93.132","0.002","90","","1941.1","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H34 O2 -","- C24 H34 O2 -","- C96 H136 O8 -","4","1","","Michael A. Schafroth; David Sarlah; Simon Krautwald; Erick M. Carreira","Iridium-Catalyzed Enantioselective Polyene Cyclization","Journal of the American Chemical Society","2012","134","","20276","20278","10.1021/ja310386m","","","0.71073","MoKα","","0.0426","0.0364","","","0.0867","0.0906","","","","","","1.132","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119028","17.072","0.002","15.982","0.002","18.311","0.002","90","","90","","90","","4996.1","1","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C48 H27 B F24 N5 O3 Re -","- C48 H27 B F24 N5 O3 Re -","- C192 H108 B4 F96 N20 O12 Re4 -","4","1","","Maialen Espinal de Viguri; Miguel A. Huertos; Julio Pérez; Lucía Riera; Irene Ara","Re-Mediated C-C Coupling of Pyridines and Imidazoles","Journal of the American Chemical Society","2012","134","","20326","20329","10.1021/ja310981m","","","0.71073","MoKα","","0.1113","0.053","","","0.0955","0.1211","","","","","","0.958","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119029","13.3687","0.001","9.4769","0.0007","39.453","0.0019","90","","93.559","0.001","90","","4988.8","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H29 B F24 N5 O3 Re -","- C49 H29 B F24 N5 O3 Re -","- C196 H116 B4 F96 N20 O12 Re4 -","4","1","","Maialen Espinal de Viguri; Miguel A. Huertos; Julio Pérez; Lucía Riera; Irene Ara","Re-Mediated C-C Coupling of Pyridines and Imidazoles","Journal of the American Chemical Society","2012","134","","20326","20329","10.1021/ja310981m","","","0.71073","MoKα","","0.1286","0.0511","","","0.0876","0.1063","","","","","","0.808","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119030","13.6164","0.0008","15.5341","0.0009","16.0883","0.0011","89.142","0.004","77.599","0.004","77.534","0.003","3243.5","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H28 F3 N6 O6 Re S -","- C25 H28 F3 N6 O6 Re S -","- C100 H112 F12 N24 O24 Re4 S4 -","4","2","","Maialen Espinal de Viguri; Miguel A. Huertos; Julio Pérez; Lucía Riera; Irene Ara","Re-Mediated C-C Coupling of Pyridines and Imidazoles","Journal of the American Chemical Society","2012","134","","20326","20329","10.1021/ja310981m","","","0.71073","MoKα","","0.1552","0.0976","","","0.2418","0.2763","","","","","","1.073","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119031","10.4146","0.0005","13.4021","0.0006","14.6235","0.0007","90","","108.269","0.005","90","","1938.23","0.17","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 F3 N2 O6 Re S -","- C16 H14 F3 N2 O6 Re S -","- C64 H56 F12 N8 O24 Re4 S4 -","4","1","","Maialen Espinal de Viguri; Miguel A. Huertos; Julio Pérez; Lucía Riera; Irene Ara","Re-Mediated C-C Coupling of Pyridines and Imidazoles","Journal of the American Chemical Society","2012","134","","20326","20329","10.1021/ja310981m","","","0.71073","MoKα","","0.0282","0.0226","","","0.0551","0.0569","","","","","","1","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119032","8.2766","0.0012","7.5631","0.0011","23.141","0.003","90","","92.492","0.002","90","","1447.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DJS01","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C64 H76 N4 O12 S4 -","4","1","","Shivnath Mazumder; Deju Shang; Daniela E. Negru; Mu-Hyun Baik; P. Andrew Evans","Stereoselective Rhodium-Catalyzed [3 + 2 + 1] Carbocyclization of Alkenylidenecyclopropanes with Carbon Monoxide: Theoretical Evidence for a Trimethylenemethane Metallacycle Intermediate","Journal of the American Chemical Society","2012","134","","20569","20572","10.1021/ja305467x","","","0.71073","MoKα","","0.0463","0.0375","","","0.0929","0.0971","","","","","","1.051","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119033","19.258","0.005","8.836","0.002","10.373","0.003","90","","90","","90","","1765.1","0.8","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","DJS477","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Shivnath Mazumder; Deju Shang; Daniela E. Negru; Mu-Hyun Baik; P. Andrew Evans","Stereoselective Rhodium-Catalyzed [3 + 2 + 1] Carbocyclization of Alkenylidenecyclopropanes with Carbon Monoxide: Theoretical Evidence for a Trimethylenemethane Metallacycle Intermediate","Journal of the American Chemical Society","2012","134","","20569","20572","10.1021/ja305467x","","","0.71073","MoKα","","0.0293","0.028","","","0.0717","0.0728","","","","","","0.982","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119034","11.2299","0.0007","6.1185","0.0004","11.449","0.0007","90","","107.071","0.001","90","","752","0.08","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C32 H38 N2 O6 S2 -","2","1","","Shivnath Mazumder; Deju Shang; Daniela E. Negru; Mu-Hyun Baik; P. Andrew Evans","Stereoselective Rhodium-Catalyzed [3 + 2 + 1] Carbocyclization of Alkenylidenecyclopropanes with Carbon Monoxide: Theoretical Evidence for a Trimethylenemethane Metallacycle Intermediate","Journal of the American Chemical Society","2012","134","","20569","20572","10.1021/ja305467x","","","0.71073","MoKα","","0.0269","0.0258","","","0.0671","0.0684","","","","","","1.072","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119035","17.0906","0.0003","22.3234","0.0004","26.9891","0.0005","90","","90","","90","","10296.9","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H42 B F5 Fe P4 -","- C54 H42 B F5 Fe P4 -","- C432 H336 B8 F40 Fe8 P32 -","8","1","","Carolin Ziebart; Christopher Federsel; Pazhamalai Anbarasan; Ralf Jackstell; Wolfgang Baumann; Anke Spannenberg; Matthias Beller","Well-Defined Iron Catalyst for Improved Hydrogenation of Carbon Dioxide and Bicarbonate","Journal of the American Chemical Society","2012","134","","20701","20704","10.1021/ja307924a","","","0.71073","MoKα","","0.0859","0.0558","","","0.1391","0.1488","","","","","","0.962","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119036","10.4689","0.0003","13.1486","0.0004","15.6192","0.0005","102.458","0.003","90.654","0.003","92.795","0.003","2096.35","0.11","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H42 P4 -","- C54 H42 P4 -","- C108 H84 P8 -","2","1","","Carolin Ziebart; Christopher Federsel; Pazhamalai Anbarasan; Ralf Jackstell; Wolfgang Baumann; Anke Spannenberg; Matthias Beller","Well-Defined Iron Catalyst for Improved Hydrogenation of Carbon Dioxide and Bicarbonate","Journal of the American Chemical Society","2012","134","","20701","20704","10.1021/ja307924a","","","0.71073","MoKα","","0.043","0.0299","","","0.0708","0.0732","","","","","","0.909","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4119037","9.3019","0.0007","9.6426","0.0007","11.6855","0.0007","87.354","0.002","89.943","0.002","61.196","0.002","917.19","0.11","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H52 N4 O7 -","- C36 H46 N4 O7 -","- C36 H46 N4 O7 -","1","1","","Jangbae Kim; Sunbum Kwon; Su Hyun Kim; Chung-Kyung Lee; Joon-Hwa Lee; Sung June Cho; Hee-Seung Lee; Hyotcherl Ihee","Microtubes with Rectangular Cross-Section by Self-Assembly of a Short β-Peptide Foldamer","Journal of the American Chemical Society","2012","134","","20573","20576","10.1021/ja3088482","","","0.71073","MoKα","","0.1415","0.0716","","","0.1703","0.2092","","","","","","1.033","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119038","12.1695","0.0008","7.8377","0.0005","23.1846","0.0017","90","","100.189","0.006","90","","2176.5","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ge K4 P4 S12 -","- Ge K4 P4 S12 -","- Ge4 K16 P16 S48 -","4","0.5","","Collin D. Morris; In Chung; Sungoh Park; Connor M. Harrison; Daniel J. Clark; Joon I. Jang; Mercouri G. Kanatzidis","Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation","Journal of the American Chemical Society","2012","134","","20733","20744","10.1021/ja309386e","","","0.71073","MoKα","","0.0771","0.0482","","","0.0639","0.0691","","","","","","1.058","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119039","12.3217","0.0006","8.0462","0.0003","23.5743","0.0011","90","","100.622","0.004","90","","2297.17","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ge P4 Rb4 S12 -","- Ge P4 Rb4 S12 -","- Ge4 P16 Rb16 S48 -","4","0.5","","Collin D. Morris; In Chung; Sungoh Park; Connor M. Harrison; Daniel J. Clark; Joon I. Jang; Mercouri G. Kanatzidis","Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation","Journal of the American Chemical Society","2012","134","","20733","20744","10.1021/ja309386e","","","0.71073","MoKα","","0.0609","0.0403","","","0.0507","0.0536","","","","","","1.136","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119040","12.6475","0.0006","8.302","0.0003","24.2428","0.0013","90","","102.012","0.004","90","","2489.7","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cs4 Ge P4 S12 -","- Cs4 Ge P4 S12 -","- Cs16 Ge4 P16 S48 -","4","0.5","","Collin D. Morris; In Chung; Sungoh Park; Connor M. Harrison; Daniel J. Clark; Joon I. Jang; Mercouri G. Kanatzidis","Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation","Journal of the American Chemical Society","2012","134","","20733","20744","10.1021/ja309386e","","","0.71073","MoKα","","0.0606","0.0368","","","0.0591","0.0635","","","","","","1.026","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119041","13.9465","0.0004","7.2435","0.0002","24.0511","0.0009","90","","90","","90","","2429.68","0.13","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Ge K4 P4 Se12 -","- Ge K4 P4 Se12 -","- Ge4 K16 P16 Se48 -","4","1","","Collin D. Morris; In Chung; Sungoh Park; Connor M. Harrison; Daniel J. Clark; Joon I. Jang; Mercouri G. Kanatzidis","Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation","Journal of the American Chemical Society","2012","134","","20733","20744","10.1021/ja309386e","","","0.71073","MoKα","","0.0443","0.0349","","","0.0877","0.1178","","","","","","1.108","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119042","14.1881","0.0005","7.3566","0.0003","24.2914","0.0015","90","","90","","90","","2535.4","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Ge P4 Rb4 Se12 -","- Ge P4 Rb4 Se12 -","- Ge4 P16 Rb16 Se48 -","4","1","","Collin D. Morris; In Chung; Sungoh Park; Connor M. Harrison; Daniel J. Clark; Joon I. Jang; Mercouri G. Kanatzidis","Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation","Journal of the American Chemical Society","2012","134","","20733","20744","10.1021/ja309386e","","","0.71073","MoKα","","0.0878","0.0561","","","0.0633","0.0696","","","","","","1.032","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119043","14.3268","0.0007","7.6202","0.0003","24.6301","0.0014","90","","90","","90","","2688.9","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Cs4 Ge P4 Se12 -","- Cs4 Ge P4 Se12 -","- Cs16 Ge4 P16 Se48 -","4","1","","Collin D. Morris; In Chung; Sungoh Park; Connor M. Harrison; Daniel J. Clark; Joon I. Jang; Mercouri G. Kanatzidis","Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation","Journal of the American Chemical Society","2012","134","","20733","20744","10.1021/ja309386e","","","0.71073","MoKα","","0.0853","0.054","","","0.0703","0.0767","","","","","","0.998","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119044","30.475","0.004","18.73","0.002","9.4164","0.0012","90","","90","","90","","5374.9","1.1","100","2","100","2","","","","","","","1,2-difluorobenzene, diethylether","8","P n n a","-P 2a 2bc","52","","","","- C22 H27 B F5 Fe Ni O3 S4 -","- C22 H27 B F5 Fe Ni O3 S4 -","- C176 H216 B8 F40 Fe8 Ni8 O24 S32 -","8","1","","Katharina Weber; Tobias Krämer; Hannah S. Shafaat; Thomas Weyhermüller; Eckhard Bill; Maurice van Gastel; Frank Neese; Wolfgang Lubitz","A Functional [NiFe]-Hydrogenase Model Compound That Undergoes Biologically Relevant Reversible Thiolate Protonation","Journal of the American Chemical Society","2012","134","","20745","20755","10.1021/ja309563p","","","0.71073","MoKα","","0.069","0.0377","","","0.0731","0.0827","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119045","10.3219","0.0011","17.114","0.002","13.8157","0.0014","90","","93.484","0.002","90","","2436","0.5","100","2","100","2","","","","","","","dichloromethane, diethylether","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Fe Ni O3.5 S4 -","- C21 H29 Fe Ni O3.5 S4 -","- C84 H116 Fe4 Ni4 O14 S16 -","4","1","","Katharina Weber; Tobias Krämer; Hannah S. Shafaat; Thomas Weyhermüller; Eckhard Bill; Maurice van Gastel; Frank Neese; Wolfgang Lubitz","A Functional [NiFe]-Hydrogenase Model Compound That Undergoes Biologically Relevant Reversible Thiolate Protonation","Journal of the American Chemical Society","2012","134","","20745","20755","10.1021/ja309563p","","","0.71073","MoKα","","0.0281","0.021","","","0.0528","0.057","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119046","10.657","0.001","15.472","0.001","19.027","0.001","101.86","0.001","94.24","0.001","104.373","0.001","2948.3","0.4","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C62.5 H84 N3 O3 P2 Y -","- C60 H78 N3 O3 P2 Y -","- C120 H156 N6 O6 P4 Y2 -","2","1","","Clare Bakewell; Thi-Phuong-Anh Cao; Nicholas Long; Xavier F. Le Goff; Audrey Auffrant; Charlotte K. Williams","Yttrium Phosphasalen Initiators for rac-Lactide Polymerization: Excellent Rates and High Iso-Selectivities","Journal of the American Chemical Society","2012","134","","20577","20580","10.1021/ja310003v","","","0.71069","MoKα","","0.1231","0.0839","","","0.1627","0.1817","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119047","27.529","0.001","28.356","0.001","18.325","0.001","90","","124.463","0.001","90","","11794.1","0.9","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C126 H168 N6 O6 P4 Y2 -","- C114 H144 N6 O6 P4 Y2 -","- C456 H576 N24 O24 P16 Y8 -","4","0.5","","Clare Bakewell; Thi-Phuong-Anh Cao; Nicholas Long; Xavier F. Le Goff; Audrey Auffrant; Charlotte K. Williams","Yttrium Phosphasalen Initiators for rac-Lactide Polymerization: Excellent Rates and High Iso-Selectivities","Journal of the American Chemical Society","2012","134","","20577","20580","10.1021/ja310003v","","","0.71069","MoKα","","0.0842","0.0565","","","0.1136","0.1259","","","","","","1.05","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119048","5.6251","0.0004","7.8446","0.0007","9.7402","0.0008","76.794","0.007","89.114","0.006","77.979","0.007","409.03","0.06","173","2","173","","","","","","","","","4","P -1","-P 1","2","hydroxylammonium 1,3-di(nitroimide)-1,2,3-triazolate","hydroxylammonium 1,3-di(nitroimide)-1,2,3-triazolate","","- C2 H6 N8 O5 -","- C2 H6 N8 O5 -","- C4 H12 N16 O10 -","2","1","","Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer","1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials","Journal of the American Chemical Society","2012","134","","20827","20836","10.1021/ja310384y","","","0.71073","MoKα","","0.0358","0.0286","","","0.0678","0.0725","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119049","6.4299","0.0002","5.6658","0.0002","20.5491","0.0008","90","","90","","90","","748.61","0.05","173","2","173","","","","","","","","","4","P n a 21","P 2c -2n","33","ammonium 1,3-di(nitroimide)-1,2,3-triazolate","ammonium 1,3-di(nitroimide)-1,2,3-triazolate","","- C2 H6 N8 O4 -","- C2 H6 N8 O4 -","- C8 H24 N32 O16 -","4","1","","Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer","1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials","Journal of the American Chemical Society","2012","134","","20827","20836","10.1021/ja310384y","","","0.71073","MoKα","","0.0395","0.038","","","0.0978","0.0999","","","","","","1.152","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119050","3.6154","0.0004","23.16","0.002","10.0335","0.0009","90","","91.855","0.011","90","","839.69","0.14","173","2","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","hydrazinium 1,3-di(nitroimide)-1,2,3-triazolate","hydrazinium 1,3-di(nitroimide)-1,2,3-triazolate","","- C2 H7 N9 O4 -","- C2 H7 N9 O4 -","- C8 H28 N36 O16 -","4","1","","Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer","1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials","Journal of the American Chemical Society","2012","134","","20827","20836","10.1021/ja310384y","","","0.71073","MoKα","","0.1029","0.0714","","","0.1632","0.1822","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119051","9.6819","0.0014","9.8267","0.0012","12.1787","0.0019","89.446","0.011","88.555","0.012","89.845","0.011","1158.3","0.3","173","2","173","","","","","","","","","4","P -1","-P 1","2","triaminoguanidinium 1,3-di(nitroimide)-1,2,3-triazolate","triaminoguanidinium 1,3-di(nitroimide)-1,2,3-triazolate","","- C3 H11 N13 O4 -","- C3 H11 N13 O4 -","- C12 H44 N52 O16 -","4","2","","Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer","1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials","Journal of the American Chemical Society","2012","134","","20827","20836","10.1021/ja310384y","","","0.71073","MoKα","","0.1243","0.0827","","","0.199","0.2313","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119052","5.5785","0.0006","8.5311","0.0007","15.4048","0.0011","90","","90","","90","","733.13","0.11","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","silver 1,3-di(nitroimide)-1,2,3-triazolate","silver 1,3-di(nitroimide)-1,2,3-triazolate","","- C2 H2 Ag N7 O4 -","- C2 H2 Ag N7 O4 -","- C8 H8 Ag4 N28 O16 -","4","1","","Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer","1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials","Journal of the American Chemical Society","2012","134","","20827","20836","10.1021/ja310384y","","","0.71073","MoKα","","0.0276","0.0238","","","0.0492","0.0508","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119053","9.7258","0.0004","19.6056","0.0007","8.2346","0.0003","90","","90","","90","","1570.17","0.1","173","2","173","","","","","","","","","5","P c a 21","P 2c -2ac","29","potassium 1,3-di(nitroimide)-1,2,3-triazolate","potassium 1,3-di(nitroimide)-1,2,3-triazolate","","- C2 H2 K N7 O4 -","- C2 H2 K N7 O4 -","- C16 H16 K8 N56 O32 -","8","2","","Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer","1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials","Journal of the American Chemical Society","2012","134","","20827","20836","10.1021/ja310384y","","","0.71073","MoKα","","0.0314","0.0277","","","0.062","0.0643","","","","","","1.044","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4119054","4.9507","0.0004","7.5613","0.0007","45.518","0.004","90","","90","","90","","1703.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C72 H96 O20 -","4","1","","Bo Zhang; Yao Wang; Sheng-Ping Yang; Yu Zhou; Wen-Bin Wu; Wei Tang; Jian-Ping Zuo; Ying Li; Jian-Min Yue","Ivorenolide A, an Unprecedented Immunosuppressive Macrolide from Khaya ivorensis: Structural Elucidation and Bioinspired Total Synthesis","Journal of the American Chemical Society","2012","134","","20605","20608","10.1021/ja310482z","","","0.71073","MoKα","","0.0527","0.048","","","0.1167","0.1192","","","","","","1.127","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119055","16.1117","0.00029","19.3001","0.00029","20.2389","0.00029","61.808","0.0014","81.3167","0.0007","81.9714","0.0007","5466.37","0.17","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C78 H82 Cr2 Mo2 O14 -","- C78 H82 Cr2 Mo2 O14 -","- C234 H246 Cr6 Mo6 O42 -","3","1.5","","Samantha E. Brown-Xu; Malcolm H. Chisholm; Christopher B. Durr; Terry L. Gustafson; Vesal Naseri; Thomas F. Spilker","Electronic Structure and Excited-State Dynamics of the Molecular Triads: trans-M2(TiPB)2[O2CC6H5-η6-Cr(CO)3]2, Where M = Mo or W, and TiPB = 2,4,6-triisopropylbenzoate","Journal of the American Chemical Society","2012","134","","20820","20826","10.1021/ja310651y","","x-ray","0.71073","MoKα","","0.1031","0.0761","","","0.1612","0.1763","","","","","","1.148","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4119056","36.554","0.004","15.5755","0.0008","12.4572","0.0006","90","","90","","90","","7092.5","0.9","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C81 H94 F K N4 O12 -","- C79 H82 F K N4 O10 -","- C316 H328 F4 K4 N16 O40 -","4","0.5","","Sung Kuk Kim; Vincent M. Lynch; Neil J. Young; Benjamin P. Hay; Chang-Hee Lee; Jong Seung Kim; Bruce A. Moyer; Jonathan L. Sessler","KF and CsF Recognition and Extraction by a Calix[4]crown-5 Strapped Calix[4]pyrrole Multitopic Receptor","Journal of the American Chemical Society","2012","134","","20837","20843","10.1021/ja310673p","","","1.5418","CuKα","","0.2","0.1404","","","0.2471","0.2783","","","","","","1.196","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119057","20.693","0.0013","26.3422","0.0016","28.8106","0.0016","90","","90","","90","","15704.6","1.6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C82 H92 Cl6 Cs F N4 O11 -","- C79 H85 Cs F N4 O10 -","- C632 H680 Cs8 F8 N32 O80 -","8","1","","Sung Kuk Kim; Vincent M. Lynch; Neil J. Young; Benjamin P. Hay; Chang-Hee Lee; Jong Seung Kim; Bruce A. Moyer; Jonathan L. Sessler","KF and CsF Recognition and Extraction by a Calix[4]crown-5 Strapped Calix[4]pyrrole Multitopic Receptor","Journal of the American Chemical Society","2012","134","","20837","20843","10.1021/ja310673p","","","0.71069","MoKα","","0.1695","0.0917","","","0.175","0.1926","","","","","","1.255","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119058","28.679","0.0004","15.9767","0.0003","22.2674","0.0005","90","","91.8471","0.0015","90","","10197.5","0.3","281","4","281","4","","","","","","","","8","I 1 2/c 1","-I 2yc","15","","","","- C55 H48 F3 N O4 P2 Pd S -","- C55 H48 F3 N O4 P2 Pd S -","- C440 H384 F24 N8 O32 P16 Pd8 S8 -","8","1","","Yinjun Xie; Jianhua Hu; Yanyu Wang; Chungu Xia; Hanmin Huang","Palladium-Catalyzed Vinylation of Aminals with Simple Alkenes: A New Strategy To Construct Allylamines","Journal of the American Chemical Society","2012","134","","20613","20616","10.1021/ja310848x","","","1.5418","CuKα","","0.0416","0.037","","","0.1039","0.1092","","","","","","1.076","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119059","6.1308","0.0005","33.463","0.004","10.2958","0.0007","90","","90.668","0.007","90","","2112.1","0.3","294.32","0.1","294.32","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H26 N -","- C27 H25 N -","- C108 H100 N4 -","4","2","","Yinjun Xie; Jianhua Hu; Yanyu Wang; Chungu Xia; Hanmin Huang","Palladium-Catalyzed Vinylation of Aminals with Simple Alkenes: A New Strategy To Construct Allylamines","Journal of the American Chemical Society","2012","134","","20613","20616","10.1021/ja310848x","","","1.5418","CuKα","","0.1782","0.0971","","","0.2751","0.3725","","","","","","1.049","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4119060","25.919","0.004","11.0585","0.0018","26.886","0.004","90","","115.146","0.012","90","","6976","2","153","2","153","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C76 H67 O14 P3 Ru -","- C76 H67 O14 P3 Ru -","- C304 H268 O56 P12 Ru4 -","4","1","","Emma L. McInturff; Eiji Yamaguchi; Michael J. Krische","Chiral-Anion-Dependent Inversion of Diastereo- and Enantioselectivity in Carbonyl Crotylation via Ruthenium-Catalyzed Butadiene Hydrohydroxyalkylation","Journal of the American Chemical Society","2012","134","","20628","20631","10.1021/ja311208a","","","0.71075","MoKα","","0.1357","0.0757","","","0.1487","0.179","","","","","","1.018","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119061","8.9289","","8.9289","","8.9289","","90","","90","","90","","711.859","","","","","","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","Sodium silver bromide tecto-alumosilicate (7.8/.2/1.9/6)","","- Ag0.24 Al6 Br1.88 Na7.76 O24 Si6 -","- Ag0.24 Al6 Br1.88 Na7.76 O24 Si6 -","- Ag0.24 Al6 Br1.88 Na7.76 O24 Si6 -","1","0.0416667","","Ozin, G.A.; MacDonald, P.M.; Stucky, G.D.; Stein, A.; Jelinek, R.","Silver, sodium halosodalites: class A sodalites","Journal of the American Chemical Society","1992","114","","5171","5186","10.1021/ja00039a032","","","","","","","","","","","","","","","","","","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119062","4.624","","4.624","","23.326","","90","","90","","90","","498.742","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","K0.33 Ba0.67 Ag Te2","","- Ag Ba0.67 K0.33 Te2 -","- Ag Ba0.67 K0.33 Te2 -","- Ag4 Ba2.68 K1.32 Te8 -","4","0.125","","Kannewurf, C.R.; Kanatzidis, M.G.; Guo, H.-Y.; Zhang, X.; Hogan, T.; Li, J.; Lee, S.; Foran, B.","Distorted square nets of tellurium in the novel quaternary polytelluride K0.33 Ba0.67 Ag Te2","Journal of the American Chemical Society","1995","117","","10513","10520","10.1021/ja00147a012","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119063","3.89","","3.89","","3.89","","90","","90","","90","","58.864","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ag Zn F3","","- Ag F3 Zn -","- Ag F3 Zn -","- Ag F3 Zn -","1","0.0208333","","Roy, R.; de Vries, R.C.","Fluoride Models for Oxide Systems of Dielectric Interest. The Systems K F - Mg F2 and Ag F - Zn F2","Journal of the American Chemical Society","1953","75","","2479","2484","10.1021/ja01106a059","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119064","12.248","","12.248","","12.248","","90","","90","","90","","1837.36","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ag11.48 (Al12 Si12 O48)","","- Ag11.48 Al12 O48 Si12 -","- Ag11.24 Al12 O48 Si12 -","- Ag11.24 Al12 O48 Si12 -","1","0.0208333","","Kim, Y.; Seff, K.","The octahedral hexasilver molecule. Seven crystal structures of variously vacuum-dehydrated fully Ag+ -exchanged zeolite A","Journal of the American Chemical Society","1978","100","","6989","6997","10.1021/ja00490a035","","","","","","","","","","","","","","","","","","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119065","12.333","","12.333","","12.333","","90","","90","","90","","1875.89","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ag11.888 (Al12 Si12 O48)","","- Ag11.888 Al12 O48 Si12 -","- Ag11.888 Al12 O48 Si12 -","- Ag11.888 Al12 O48 Si12 -","1","0.0208333","","Seff, K.; Kim, Y.","The octahedral hexasilver molecule. Seven crystal structures of variously vacuum-dehydrated fully Ag+ -exchanged zeolite A","Journal of the American Chemical Society","1978","100","","6989","6997","10.1021/ja00490a035","","","","","","","","","","","","","","","","","","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119066","12.295","","12.295","","12.295","","90","","90","","90","","1858.6","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ag12 (Si12 Al12 O48)","","- Ag12 Al12 O48 Si12 -","- Ag11.8994 Al12 O48 Si12 -","- Ag11.8994 Al12 O48 Si12 -","1","0.0208333","","Kim, Y.; Seff, K.","Structure of a very small piece of silver metal. The octahedral Ag6 molecule. Two crystal structures of partially decomposed vacuum-dehydrated fully Ag+ -exchanged zeolite A","Journal of the American Chemical Society","1977","99","","7055","7057","10.1021/ja00463a047","","","","","","","","","","","","","","","","","","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119067","3.8994","","3.8994","","29.015","","90","","90","","90","","441.182","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Ag1.1 Ca0.9) (Ca0.6 Ag0.9 Nb3 O10)","","- Ag2 Ca1.5 Nb3 O10 -","- Ag2 Ca1.5 Nb3 O10 -","- Ag4 Ca3 Nb6 O20 -","2","0.0625","","Woodward, P.M.; Bhuvanesh, N.S.P.","Thermally induced A' - A site exchange in novel layered perovskitesAg2 (Ca1.5 M3 O10) (M = Nb, Ta)","Journal of the American Chemical Society","2002","124","","14294","14295","10.1021/ja027805m","","","","","","","","","","","","","","","","","","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119068","6.508","","15.164","","6.518","","90","","90","","90","","643.244","","","","","","","","","","","","","4","C 2 2 2","C 2 2","21","","Cs2 Ag2 Zr Te4","","- Ag2 Cs2 Te4 Zr -","- Ag2 Cs2 Te4 Zr -","- Ag4 Cs4 Te8 Zr2 -","2","0.25","","Ibers, J.A.; Pell, M.A.","Cs2 Ag2 Zr Te4 : a new layered telluride containing tetrahedrally coordinated zirconium","Journal of the American Chemical Society","1995","117","","6284","6286","10.1021/ja00128a016","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119069","12.148","","12.148","","12.148","","90","","90","","90","","1792.73","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ag9.26 (Si12 Al12 O48)","","- Ag9.26 Al12 O48 Si12 -","- Ag9.26 Al12 O48 Si12 -","- Ag9.26 Al12 O48 Si12 -","1","0.0208333","","Kim, Y.; Seff, K.","The octahedral hexasilver molecule. Seven crystal structures of variously vacuum-dehydrated fully Ag+ -exchanged zeolite A","Journal of the American Chemical Society","1978","100","","6989","6997","10.1021/ja00490a035","","","","","","","","","","","","","","","","","","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119070","5.69","","8.881","","9.1","","90","","90","","90","","459.849","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Al B24 C4","","- C4 B24 -","- C4 B24 -","- C8 B48 -","2","0.125","","Giese, R.F.jr.; Matkovich, V.I.; Economy, J.","Presence of carbon in aluminum borides","Journal of the American Chemical Society","1964","86","","2337","2340","10.1021/ja01066a007","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119071","10.4","","4.824","","9.997","","90","","115.2","","90","","453.812","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(N H3) (B3 H7)","","- B3 H7 N -","- B3 H7 N -","- B12 H28 N4 -","4","1","","Reimann, C.; Nordman, C.E.","The molecular and crystal structures of ammonia-triborane","Journal of the American Chemical Society","1959","81","","3538","3543","10.1021/ja01523a013","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119072","18.672","","14.026","","9.731","","90","","90","","90","","2548.49","","","","","","","","","","","","","5","P m m a","-P 2a 2a","51","","Cs K Zr6 Cl15 B","","- B Cl15 Cs K Zr6 -","- B0.995 Cl15 Cs K Zr6 -","- B3.98 Cl60 Cs4 K4 Zr24 -","4","0.5","","Corbett, J.D.; Ziebarth, R.P.","Cation distributions within a cluster framework. Synthesis and structure of the carbon- and boron-centered zirconium cluster compounds Cs K Zr6 Cl15 C and Cs K Zr6 Cl15 B","Journal of the American Chemical Society","1987","109","","4844","4850","10.1021/ja00250a015","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119073","11.386","","15.98","","14.008","","90","","90","","90","","2548.73","","","","","","","","","","","","","4","C c c m","-C 2 2c","66","","K2 Zr6 Cl15 B","","- B Cl15 K2 Zr6 -","- B0.99 Cl15 K1.91 Zr6 -","- B3.96 Cl60 K7.64 Zr24 -","4","0.25","","Corbett, J.D.; Ziebarth, R.P.","Cluster Framework Structures and Relationships. Two Compounds with a New Connectivity, K2 Zr6 Cl15 B and K3 Zr6 Cl15 Be","Journal of the American Chemical Society","1988","110","","1132","1139","10.1021/ja00212a022","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119074","15.939","","14.263","","12.974","","90","","90","","90","","2949.48","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Cs Zr6 B I14","","- B Cs I14 Zr6 -","- B Cs I14 Zr6 -","- B4 Cs4 I56 Zr24 -","4","","","Corbett, J.D.; Smith, J.D.","Four zirconium iodide cluster phases centered by boron, aluminum, or silicon","Journal of the American Chemical Society","1986","108","","1927","1934","10.1021/ja00268a034","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119075","14.534","","14.534","","9.986","","90","","90","","120","","1826.81","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zr6 B I12","","- B I12 Zr6 -","- B I12 Zr6 -","- B3 I36 Zr18 -","3","0.166667","","Smith, J.D.; Corbett, J.D.","Four zirconium iodide cluster phases centered by boron, aluminum, or silicon","Journal of the American Chemical Society","1986","108","","1927","1934","10.1021/ja00268a034","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119076","7.6139","","7.6139","","7.6139","","90","","90","","90","","441.389","","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","(Zn6 Ga2) P2 (B O2)12","","- B12 Ga2 O24 P2 Zn6 -","- B12 Ga2 O24 P2 Zn6 -","- B12 Ga2 O24 P2 Zn6 -","1","0.0208333","","Eckert, H.; Moran, K.L.; Wasylishen, R.E.; Harrison, W.T.A.; Eichele, K.; Gier, T.E.; Stucky, G.D.","Synthesis and characterization of mixed ZnSe/GaP semiconductor species included in the sodalite structure","Journal of the American Chemical Society","1993","115","","10553","10558","10.1021/ja00076a013","","","","","","","","","","","","","","","","","","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119077","7.6801","","7.6801","","7.6801","","90","","90","","90","","453.003","","","","","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","Zn8 Se2 (B O2)12","","- B12 O24 Se2 Zn8 -","- B12 O24 Se2 Zn8 -","- B12 O24 Se2 Zn8 -","1","0.0208333","","Eckert, H.; Moran, K.L.; Harrison, W.T.A.; Wasylishen, R.E.; Stucky, G.D.; Eichele, K.; Gier, T.E.","Synthesis and characterization of mixed ZnSe/GaP semiconductor species included in the sodalite structure","Journal of the American Chemical Society","1993","115","","10553","10558","10.1021/ja00076a013","","","","","","","","","","","","","","","","","","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119078","11.6806","","4.3759","","18.9153","","90","","96.703","","90","","960.212","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Dy4 (B6 O15)","","- B6 Dy4 O15 -","- B6 Dy4 O15 -","- B24 Dy16 O60 -","4","0.5","","von der Eltz, B.; Huppertz, H.","Multianvil high-pressure synthesis of Dy4 B6 O15: the first oxoborate with edge-sharing B O4 tetrahedra","Journal of the American Chemical Society","2002","124","","9376","9377","10.1021/ja017691z","","","","","","","","","","","","","","","","","","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119079","12.285","","12.285","","9.268","","90","","90","","120","","1211.34","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Sr6 (Ho Sc) (B O3)6","","- B6 Ho O18 Sc Sr6 -","- B6 Ho O18 Sc Sr6 -","- B18 Ho3 O54 Sc3 Sr18 -","3","0.166667","","Cox, J.R.; Douglas, A.K.; Alekel, T.; Schaffers, K.I.; Thompson, P.D.","New structural class of solid-state oxide","Journal of the American Chemical Society","1990","112","","7068","7069","10.1021/ja00175a056","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119080","17.2344","0.0009","23.2126","0.0012","22.2382","0.0012","90","","102.738","0.004","90","","8677.6","0.8","91","2","91","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dipp*InBArF","","","- C48 H37 B F15 In -","- C48 H37 B F15 In -","- C384 H296 B8 F120 In8 -","8","2","","Wright, Robert J.; Phillips, Andrew D.; Hardman, Ned J.; Power, Philip P.","The “Diindene” ArInInAr (Ar = C6H3-2,6-Dipp2, Dipp = C6H3-2,6-Pri2). Dimeric versus Monomeric In(I) Aryls: para-Substituent Effects in Terphenyl Ligands","Journal of the American Chemical Society","2002","124","29","8538","","10.1021/ja026285s","","","0.71073","MoKα","","0.0686","0.0401","","","0.0796","0.0966","","","","","","1.058","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119081","9.9752","0.0002","9.9752","0.0002","15.8828","0.0002","90","","90","","90","","1580.41","0.05","150","","150","","","","","","","","","5","I 4/m","-I 4","87","","","","- C28 H48 Cl2 Mo2 N12 -","- C28 H48 Cl2 Mo2 N12 -","- C56 H96 Cl4 Mo4 N24 -","2","0.125","","Chisholm, Malcolm H.; Gallucci, Judith; Hadad, Christopher M.; Huffman, John C.; Wilson, Paul J.","M2(hpp)4Cl2and M2(hpp)4, Where M = Mo and W: Preparations, Structure and Bonding, and Comparisons with C2, C2H2, and C2Cl2and the Hypothetical Molecules M2(hpp)4(H)2†","Journal of the American Chemical Society","2003","125","51","16040","16049","10.1021/ja0301065","","","0.71073","MoKα","","0.0311","0.0275","","0.0719","0.0706","","","","1.137","1.146","1.146","","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119082","10.3116","0.0004","11.1805","0.0004","13.2926","0.0005","75.702","0.001","81.705","0.001","85.373","0.001","1467.86","0.1","113","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 Cl20 D6 Mo2 N12 -","- C34 H52.056 Cl20 Mo2 N12 -","- C34 H52.056 Cl20 Mo2 N12 -","1","0.5","","Chisholm, Malcolm H.; Gallucci, Judith; Hadad, Christopher M.; Huffman, John C.; Wilson, Paul J.","M2(hpp)4Cl2and M2(hpp)4, Where M = Mo and W: Preparations, Structure and Bonding, and Comparisons with C2, C2H2, and C2Cl2and the Hypothetical Molecules M2(hpp)4(H)2†","Journal of the American Chemical Society","2003","125","51","16040","16049","10.1021/ja0301065","","","0.71073","MoKα","","0.0567","0.0347","","","0.0576","0.0629","","","","","","0.772","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119083","10.3837","0.0001","11.1668","0.0001","13.3458","0.0001","75.728","0.001","81.398","0.001","85.268","0.001","1481.17","0.02","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 Cl20 D6 N12 W2 -","- C34 H54 Cl20 N12 W2 -","- C34 H54 Cl20 N12 W2 -","1","0.5","","Chisholm, Malcolm H.; Gallucci, Judith; Hadad, Christopher M.; Huffman, John C.; Wilson, Paul J.","M2(hpp)4Cl2and M2(hpp)4, Where M = Mo and W: Preparations, Structure and Bonding, and Comparisons with C2, C2H2, and C2Cl2and the Hypothetical Molecules M2(hpp)4(H)2†","Journal of the American Chemical Society","2003","125","51","16040","16049","10.1021/ja0301065","","","0.71073","MoKα","","0.0317","0.025","","0.0575","0.0554","","","","1.035","1.055","1.055","","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119085","10.831","0.002","13.165","0.002","14.474","0.003","93.03","0.014","93.74","0.015","105.361","0.015","1980.6","0.6","100","","293","","","","","","","","?","6","P -1","-P 1","2","","","","- C75 H104 F12 N2 O25 P2 -","- C75 H104 F12 N2 O25 P2 -","- C75 H104 F12 N2 O25 P2 -","1","0.5","","Huang, Feihe; Gibson, Harry W.; Bryant, William S.; Nagvekar, Devdatt S.; Fronczek, Frank R.","First Pseudorotaxane-Like [3]Complexes Based on Cryptands and Paraquat: Self-Assembly and Crystal Structures","Journal of the American Chemical Society","2003","125","31","9367","9371","10.1021/ja034968h","","","0.71073","MoKα","","0.1159","0.047","","0.1014","0.0766","0.0766","","","","","","0.9627","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119087","11.914","0.002","13.355","0.002","16.927","0.003","80.618","0.003","77.022","0.003","73.653","0.003","2504","0.7","153.2","","153.2","","","","","","","","","6","P -1","-P 1","2","tetraphenylarsonium Pb(II) iso-maleonitriledithiolate","","","- C112 H80 As4 N8 Pb2 S8 -","- C112 H80 As4 N8 Pb2 S8 -","- C112 H80 As4 N8 Pb2 S8 -","1","0.5","","Magyar, John S.; Weng, Tsu-Chien; Stern, Charlotte M.; Dye, David F.; Rous, Brian W.; Payne, John C.; Bridgewater, Brian M.; Mijovilovich, Ana; Parkin, Gerard; Zaleski, Jeffrey M.; Penner-Hahn, James E.; Godwin, Hilary Arnold","Reexamination of Lead(II) Coordination Preferences in Sulfur-Rich Sites: Implications for a Critical Mechanism of Lead Poisoning","Journal of the American Chemical Society","2005","127","26","9495","9505","10.1021/ja0424530","","x-ray","0.7107","MoKα","","0.0607","0.028","","0.058","0.054","","","","1.455","","","1.53","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119088","24.3801","0.0015","12.0679","0.0007","25.8748","0.0016","90","","108.663","0.001","90","","7212.5","0.8","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","holjs90","","","- C74 H106 Fe2 N4 O2 -","- C74 H106 Fe2 N4 O2 -","- C296 H424 Fe8 N16 O8 -","4","0.5","","Eckert, Nathan A.; Stoian, Sebastian; Smith, Jeremy M.; Bominaar, Emile L.; Münck, Eckard; Holland, Patrick L.","Synthesis, Structure, and Spectroscopy of an Oxodiiron(II) Complex","Journal of the American Chemical Society","2005","127","26","9344","9345","10.1021/ja0436704","","","0.71073","MoKα","","0.0928","0.0459","","","0.1054","0.119","","","","","","0.923","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119089","8.472","0.0017","31.716","0.006","10.229","0.002","90","","95.32","0.03","90","","2736.7","0.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 Br N P2 Pt -","- C25 H40 Br N P2 Pt -","- C100 H160 Br4 N4 P8 Pt4 -","4","1","","Strawser, David; Karton, Amir; Zenkina, Olena V.; Iron, Mark A.; Shimon, Linda J. W.; Martin, Jan M. L.; van der Boom, Milko E.","Platinum Stilbazoles: Ring-Walking Coupled with Aryl−Halide Bond Activation","Journal of the American Chemical Society","2005","127","26","9322","9323","10.1021/ja050613h","","","0.71073","MoKα","","0.0416","0.0315","","","0.08","0.0846","","","","","","1.029","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119090","15.884","0.003","14.908","0.003","11.701","0.002","90","","90","","90","","2770.8","0.9","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H40 Br N P2 Pt -","- C25 H40 Br N P2 Pt -","- C100 H160 Br4 N4 P8 Pt4 -","4","1","","Strawser, David; Karton, Amir; Zenkina, Olena V.; Iron, Mark A.; Shimon, Linda J. W.; Martin, Jan M. L.; van der Boom, Milko E.","Platinum Stilbazoles: Ring-Walking Coupled with Aryl−Halide Bond Activation","Journal of the American Chemical Society","2005","127","26","9322","9323","10.1021/ja050613h","","","0.71073","MoKα","","0.0512","0.0434","","","0.111","0.1175","","","","","","1.049","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119091","17.5075","0.0005","12.4366","0.0004","36.567","0.001","90","","100.724","0.001","90","","7822.8","0.4","120.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H46 N4 O5 Pd2 -","- C41 H46 N4 O5 Pd2 -","- C328 H368 N32 O40 Pd16 -","8","2","","Naota, Takeshi; Koori, Hiroshi","Molecules That Assemble by Sound: An Application to the Instant Gelation of Stable Organic Fluids","Journal of the American Chemical Society","2005","127","26","9324","9325","10.1021/ja050809h","","","0.7107","MoKα","","","0.0701","","","","0.222","","","","","","1.228","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119092","10.7005","0.0002","10.8011","0.0002","15.941","0.0002","93.6235","0.0007","96.9252","0.0006","98.9763","0.0006","1800.24","0.05","213.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H44 N4 O4 Pd2 -","- C40 N4 O4 Pd2 -","- C80 N8 O8 Pd4 -","2","1","","Naota, Takeshi; Koori, Hiroshi","Molecules That Assemble by Sound: An Application to the Instant Gelation of Stable Organic Fluids","Journal of the American Chemical Society","2005","127","26","9324","9325","10.1021/ja050809h","","","0.7107","MoKα","","","0.0433","","","","0.1484","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119093","13.652","0.012","8.691","0.008","18.893","0.017","90","","103.219","0.015","90","","2182","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 O4 -","- C28 H20 N2 O4 -","- C112 H80 N8 O16 -","4","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral Rodlike Platinum Complexes, Double Helical Chains, and Potential Asymmetric Hydrogenation Ligand Based on “Linear” Building Blocks: 1,8,9,16-Tetrahydroxytetraphenylene and 1,8,9,16-Tetrakis(diphenylphosphino)tetraphenylene","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.1392","0.0533","","","0.0938","0.1271","","","","","","0.768","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119094","9.027","0.002","9.223","0.002","24.564","0.007","83.388","0.006","85.906","0.006","61.195","0.005","1779.8","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H30 Cu N4 -","- C16 H30 Cu N4 -","- C64 H120 Cu4 N16 -","4","2","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.1438","0.0567","","","0.1198","0.1365","","","","","","0.766","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119095","15.583","0.003","8.4294","0.0016","17.047","0.003","90","","95.89","0.004","90","","2227.4","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H38 Cu N4 -","- C20 H38 Cu N4 -","- C80 H152 Cu4 N16 -","4","0.5","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.1097","0.0518","","","0.1004","0.1147","","","","","","0.86","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119096","10.2709","0.0013","11.158","0.0013","11.7193","0.0014","73.52","0.002","81.317","0.002","76.174","0.002","1245.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 Cu N4 -","- C26 H34 Cu N4 -","- C52 H68 Cu2 N8 -","2","1","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.0329","0.0283","","","0.0751","0.0791","","","","","","1.026","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119097","20.73","0.015","14.223","0.011","10.114","0.007","90","","100.795","0.014","90","","2929","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H42 Cu N4 -","- C30 H42 Cu N4 -","- C120 H168 Cu4 N16 -","4","0.5","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.0998","0.0708","","","0.1698","0.1858","","","","","","1.036","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119098","15.032","0.0019","10.7427","0.0014","20.453","0.003","90","","90","","90","","3302.8","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H26 Cu N4 -","- C16 H26 Cu N4 -","- C128 H208 Cu8 N32 -","8","1","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.0629","0.0392","","","0.094","0.1074","","","","","","1.064","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119099","13.819","0.007","8.103","0.004","17.887","0.01","90","","110.282","0.01","90","","1878.7","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Cu N4 -","- C18 H30 Cu N4 -","- C72 H120 Cu4 N16 -","4","0.5","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.0783","0.0685","","","0.1525","0.1564","","","","","","1.152","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119100","7.9157","0.0019","8.889","0.002","10.77","0.003","75.201","0.004","86.177","0.004","89.512","0.004","731","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 Cu N4 -","- C14 H22 Cu N4 -","- C28 H44 Cu2 N8 -","2","1","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.0891","0.0518","","","0.1135","0.134","","","","","","1.022","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119101","11.437","0.007","21.583","0.013","9.476","0.006","90","","90","","90","","2339","2","173","2","173","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C26 H30 Cu N4 -","- C26 H30 Cu N4 -","- C104 H120 Cu4 N16 -","4","0.5","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.0883","0.0469","","","0.0996","0.117","","","","","","0.994","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119102","19.364","0.003","9.8308","0.0015","19.536","0.003","90","","111.566","0.003","90","","3458.6","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Cu N4 -","- C18 H26 Cu N4 -","- C144 H208 Cu8 N32 -","8","1","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71069","MoKα","","0.0725","0.0402","","","0.0988","0.1203","","","","","","1.021","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119103","5.2808","0.0005","10.0623","0.001","12.4829","0.0012","99.162","0.002","94.549","0.002","96.552","0.002","647.34","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 B O3 -","- C13 H19 B O3 -","- C26 H38 B2 O6 -","2","1","","Yamamoto, Yoshihiko; Ishii, Jun-ichi; Nishiyama, Hisao; Itoh, Kenji","Cp*RuCl-Catalyzed Formal Intermolecular Cyclotrimerization of Three Unsymmetrical Alkynes through a Boron Temporary Tether: Regioselective Four-Component Coupling Synthesis of Phthalides","Journal of the American Chemical Society","2005","127","26","9625","9631","10.1021/ja051377d","","","0.71073","MoKα","","0.0603","0.0531","","","0.1522","0.1609","","","","","","1.055","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119104","40.438","0.006","6.3214","0.001","20.7","0.003","90","","101.873","0.004","90","","5178.2","1.4","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 N2 -","- C32 H40 N2 -","- C256 H320 N16 -","8","1","","Shiraishi, Kouichi; Rajca, Andrzej; Pink, Maren; Rajca, Suchada","π-Conjugated Conjoined Double Helicene via a Sequence of Three Oxidative CC- and NN-Homocouplings","Journal of the American Chemical Society","2005","127","26","9312","9313","10.1021/ja051521v","","","0.71073","MoKα","","0.0861","0.0508","","","0.1249","0.146","","","","","","1.02","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4119105","10.327","0.003","11.067","0.006","11.692","0.01","112.33","0.05","97.31","0.06","106.79","0.04","1140.2","1.4","132","2","132","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 N2 O17 Zn3 -","- C44 H38 N2 O17 Zn3 -","- C44 H38 N2 O17 Zn3 -","1","0.5","","Dincǎ, Mircea; Long, Jeffrey R.","Strong H2Binding and Selective Gas Adsorption within the Microporous Coordination Solid Mg3(O2C-C10H6-CO2)3","Journal of the American Chemical Society","2005","127","26","9376","9377","10.1021/ja0523082","","","0.71073","MoKα","","0.0474","0.0364","","","0.0936","0.0976","","","","","","1.04","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119106","10.654","0.005","12.58","0.006","14.229","0.007","97.674","0.007","111.169","0.007","106.607","0.007","1643.3","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H43 B N6 Zr -","- C36 H43 B N6 Zr -","- C72 H86 B2 N12 Zr2 -","2","1","","Lee, Han; Jordan, Richard F.","Unusual Reactivity of Tris(pyrazolyl)borate Zirconium Benzyl Complexes","Journal of the American Chemical Society","2005","127","26","9384","9385","10.1021/ja0527673","","","0.71073","MoKα","","0.0425","0.0356","","","0.0816","0.0839","","","","","","1.038","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119107","16.345","0.006","18.565","0.007","16.86","0.006","90","","97.014","0.006","90","","5078","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H36 B2 F20 N6 Zr -","- C53 H36 B2 F20 N6 Zr -","- C212 H144 B8 F80 N24 Zr4 -","4","1","","Lee, Han; Jordan, Richard F.","Unusual Reactivity of Tris(pyrazolyl)borate Zirconium Benzyl Complexes","Journal of the American Chemical Society","2005","127","26","9384","9385","10.1021/ja0527673","","","0.71073","MoKα","","0.0709","0.0576","","","0.1166","0.1224","","","","","","1.192","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119108","10.793","0.002","28.245","0.006","19.166","0.004","90","","92.62","0.03","90","","5837","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H47 B2 Cl2 F20 N6 P Zr -","- C57 H46 B2 Cl1.932 F20 N6 P Zr -","- C228 H184 B8 Cl7.728 F80 N24 P4 Zr4 -","4","1","","Lee, Han; Jordan, Richard F.","Unusual Reactivity of Tris(pyrazolyl)borate Zirconium Benzyl Complexes","Journal of the American Chemical Society","2005","127","26","9384","9385","10.1021/ja0527673","","","0.71073","MoKα","","0.0621","0.0533","","","0.1153","0.1199","","","","","","1.081","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119109","20.044","0.004","16.076","0.003","20.135","0.004","90","","92.33","0.03","90","","6483","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H44 B Cl2 N6 Zr -","- C32.5 H44 B Cl2 N6 Zr -","- C260 H352 B8 Cl16 N48 Zr8 -","8","1","","Lee, Han; Jordan, Richard F.","Unusual Reactivity of Tris(pyrazolyl)borate Zirconium Benzyl Complexes","Journal of the American Chemical Society","2005","127","26","9384","9385","10.1021/ja0527673","","","0.71073","MoKα","","0.056","0.0382","","","0.0766","0.081","","","","","","0.962","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119117","9.3406","0.0019","12.461","0.003","15.759","0.003","90","","103.66","0.03","90","","1782.4","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H23 Br F N O -","- C19 H23 Br F N O -","- C76 H92 Br4 F4 N4 O4 -","4","2","","Shibatomi, Kazutaka; Futatsugi, Kentaro; Kobayashi, Fumito; Iwasa, Seiji; Yamamoto, Hisashi","Stereoselective Construction of Halogenated Quaternary Stereogenic Centers via Catalytic Asymmetric Diels−Alder Reaction","Journal of the American Chemical Society","2010","132","16","5625","5627","10.1021/ja1018628","","","0.71073","MoKα","","0.0726","0.0503","","","0.1182","0.1302","","","","","","0.683","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119122","12.8108","0.0004","13.4663","0.0004","13.3937","0.0004","90","","100.156","0.002","90","","2274.4","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H9 B F15 N -","- C25 H9 B F15 N -","- C100 H36 B4 F60 N4 -","4","1","","Geier, Stephen J.; Stephan, Douglas W.","Lutidine/B(C6F5)3: At the Boundary of Classical and Frustrated Lewis Pair Reactivity","Journal of the American Chemical Society","2009","131","10","3476","3477","10.1021/ja900572x","","","0.71073","MoKα","","0.0709","0.0494","","","0.1275","0.1475","","","","","","1.055","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119123","17.8525","0.0012","9.8407","0.0007","15.2683","0.001","90","","115.01","0.003","90","","2430.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H11 B F15 N -","- C25 H11 B F15 N -","- C100 H44 B4 F60 N4 -","4","1","","Geier, Stephen J.; Stephan, Douglas W.","Lutidine/B(C6F5)3: At the Boundary of Classical and Frustrated Lewis Pair Reactivity","Journal of the American Chemical Society","2009","131","10","3476","3477","10.1021/ja900572x","","","0.71073","MoKα","","0.1085","0.0516","","","0.1311","0.168","","","","","","1.005","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119124","17.4334","0.0009","10.6793","0.0006","14.4679","0.0008","90","","90","","90","","2693.6","0.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H17 B F15 N O -","- C29 H17 B F15 N O -","- C116 H68 B4 F60 N4 O4 -","4","1","","Geier, Stephen J.; Stephan, Douglas W.","Lutidine/B(C6F5)3: At the Boundary of Classical and Frustrated Lewis Pair Reactivity","Journal of the American Chemical Society","2009","131","10","3476","3477","10.1021/ja900572x","","","0.71073","MoKα","","0.0524","0.0389","","","0.1063","0.1146","","","","","","1.046","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119129","13.713","0.004","14.025","0.004","15.804","0.004","71.542","0.016","68.428","0.015","75.177","0.017","2647.5","1.3","103.15","","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H45 B N2 P2 -","- C24 H45 B N2 P2 -","- C96 H180 B4 N8 P8 -","4","2","","Segawa, Yasutomo; Yamashita, Makoto; Nozaki, Kyoko","Syntheses of PBP Pincer Iridium Complexes: A Supporting Boryl Ligand","Journal of the American Chemical Society","2009","131","26","9201","9203","10.1021/ja9037092","","","0.7107","MoKα","","0.0653","0.0468","","","0.1104","0.1204","","","","","","1.073","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119130","12.2218","0.0008","14.4999","0.0013","31.323","0.002","90","","90","","90","","5550.9","0.7","103.15","","103","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H45 B Cl Ir N2 P2 -","- C24 H45 B Cl Ir N2 P2 -","- C192 H360 B8 Cl8 Ir8 N16 P16 -","8","1","","Segawa, Yasutomo; Yamashita, Makoto; Nozaki, Kyoko","Syntheses of PBP Pincer Iridium Complexes: A Supporting Boryl Ligand","Journal of the American Chemical Society","2009","131","26","9201","9203","10.1021/ja9037092","","","0.7107","MoKα","","0.041","0.0369","","","0.0714","0.0733","","","","","","1.179","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119131","13.543","0.003","15.306","0.003","16.208","0.004","90","","105.492","0.0007","90","","3237.7","1.2","103.15","","103","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H53 B Cl Ir N2 O2 P2 -","- C29 H52 B Cl Ir N2 O2 P2 -","- C116 H208 B4 Cl4 Ir4 N8 O8 P8 -","4","1","","Segawa, Yasutomo; Yamashita, Makoto; Nozaki, Kyoko","Syntheses of PBP Pincer Iridium Complexes: A Supporting Boryl Ligand","Journal of the American Chemical Society","2009","131","26","9201","9203","10.1021/ja9037092","","","0.7107","MoKα","","0.0361","0.0325","","","0.0774","0.0794","","","","","","1.066","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119132","16.185","0.006","16.185","0.006","20.335","0.007","90","","90","","120","","4613","3","103.15","","103","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C25 H44 Cl Ir O P2 -","- C25 H43 Cl Ir O P2 -","- C150 H258 Cl6 Ir6 O6 P12 -","6","0.5","","Segawa, Yasutomo; Yamashita, Makoto; Nozaki, Kyoko","Syntheses of PBP Pincer Iridium Complexes: A Supporting Boryl Ligand","Journal of the American Chemical Society","2009","131","26","9201","9203","10.1021/ja9037092","","","0.7107","MoKα","","0.0353","0.0346","","","0.0955","0.0958","","","","","","1.275","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119133","10.65","0.004","19.406","0.006","14.428","0.005","90","","108.517","0.0015","90","","2827.5","1.7","103.15","","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H48 B Ir N2 P2 -","- C26 H48 B Ir N2 P2 -","- C104 H192 B4 Ir4 N8 P8 -","4","1","","Segawa, Yasutomo; Yamashita, Makoto; Nozaki, Kyoko","Syntheses of PBP Pincer Iridium Complexes: A Supporting Boryl Ligand","Journal of the American Chemical Society","2009","131","26","9201","9203","10.1021/ja9037092","","","0.7107","MoKα","","0.0245","0.0214","","","0.0493","0.0505","","","","","","1.016","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119136","12.2291","0.0001","13.0394","0.0002","16.4212","0.0003","94.7085","0.0008","106.87","0.0006","104.595","0.0006","2390.68","0.06","103","2","103.15","","","","","","","","","4","P -1","-P 1","2","","","","- C74 H162 O2 Si16 -","- C74 H162 O2 Si16 -","- C74 H162 O2 Si16 -","1","0.5","","Han, Joon Soo; Sasamori, Takahiro; Mizuhata, Yoshiyuki; Tokitoh, Norihiro","Reactivity of an Aryl-Substituted Silicon−Silicon Triple Bond: Reactions of a 1,2-Diaryldisilyne with Alkenes","Journal of the American Chemical Society","2010","132","8","2546","2547","10.1021/ja9108566","","","0.71075","MoKα","","0.0388","0.0358","","","0.0965","0.0994","","","","","","1.02","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119137","21.9198","0.0006","16.2998","0.0005","36.9045","0.0011","90","","98.513","0.002","90","","13040.3","0.7","100","2","100.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H49 F24 N7 P4 -","- C54 H49 F24 N7 P4 -","- C432 H392 F192 N56 P32 -","8","1","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","1.54184","CuKα","","0.0989","0.0825","","","0.2283","0.2419","","","","","","1.089","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119138","10.0901","0.0003","11.3816","0.0003","18.0816","0.0005","71.694","0.001","79.448","0.001","65.81","0.001","1794.77","0.09","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H65 F24 N7 P4 -","- C74 H65 F24 N7 P4 -","- C74 H65 F24 N7 P4 -","1","0.5","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","1.54178","CuKα","","0.0554","0.0543","","","0.1456","0.1468","","","","","","1.05","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119139","11.1737","0.0003","18.9646","0.0005","33.8761","0.0008","90","","90.818","0.001","90","","7177.8","0.3","100","2","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C80 H66 F24 N6 P4 -","- C80 H66 F24 N6 P4 -","- C320 H264 F96 N24 P16 -","4","1","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","1.54178","CuKα","","0.0519","0.0383","","","0.0954","0.1068","","","","","","1.036","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119140","11.247","0.007","19.121","0.013","33.7","0.02","90","","90.897","0.014","90","","7246","8","100","2","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H66 F24 N6 P4 -","- C80 H66 F24 N6 P4 -","- C320 H264 F96 N24 P16 -","4","0.5","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","1.54178","CuKα","","0.0544","0.0503","","","0.1328","0.1414","","","","","","1.096","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119141","9.9257","0.0003","10.7247","0.0004","18.0555","0.0006","97.803","0.001","91.899","0.001","103.705","0.001","1845.74","0.11","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H66 F24 N6 P4 -","- C84 H66 F24 N6 P4 -","- C84 H66 F24 N6 P4 -","1","0.5","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","1.54184","CuKα","","0.0346","0.0325","","","0.0895","0.0929","","","","","","1.031","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119142","10.14","0.0003","11.2521","0.0003","17.944","0.0005","72.2804","0.0017","86.5349","0.0017","65.818","0.0015","1774.21","0.09","105","2","105.36","","","","","","","","","5","P -1","-P 1","2","","","","- C75 H68 F24 N6 P4 -","- C75 H68 F24 N6 P4 -","- C75 H68 F24 N6 P4 -","1","0.5","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","1.54178","CuKα","","0.0736","0.0647","","","0.1766","0.1889","","","","","","1.052","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119143","10.1427","0.0004","11.1096","0.0004","17.953","0.0007","74.054","0.002","84.44","0.002","64.486","0.002","1754.9","0.12","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C63 H55 F24 N7 P4 -","- C63 H55 F24 N7 P4 -","- C63 H55 F24 N7 P4 -","1","0.5","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","1.54178","CuKα","","0.1224","0.1085","","","0.3481","0.3728","","","","","","1.686","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119144","11.0174","0.0005","14.5789","0.0007","24.2587","0.0012","90","","98.998","0.002","90","","3848.5","0.3","100","2","99.97","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H70 F24 N10 P4 -","- C78 H70 F24 N10 P4 -","- C156 H140 F48 N20 P8 -","2","0.5","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","0.71073","MoKα","","0.0921","0.0825","","","0.1886","0.1924","","","","","","1.154","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119145","10.5607","0.0006","11.1014","0.0006","18.0247","0.0011","72.955","0.004","82.376","0.005","63.569","0.004","1809.17","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H58 F24 N6 P4 -","- C70 H58 F24 N6 P4 -","- C70 H58 F24 N6 P4 -","1","0.5","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","1.54178","CuKα","","0.1656","0.1251","","","0.3593","0.3872","","","","","","1.444","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119146","10.0194","0.0012","10.7702","0.0013","18.071","0.002","73.537","0.006","74.926","0.006","70.374","0.004","1731.9","0.4","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H61 F24 N7 P4 -","- C72 H61 F24 N7 P4 -","- C72 H61 F24 N7 P4 -","1","0.5","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","0.71073","MoKα","","0.203","0.0991","","","0.2832","0.3311","","","","","","1.05","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119147","20.9571","0.0005","17.985","0.0005","22.8829","0.0006","90","","107.919","0.001","90","","8206.5","0.4","100","2","99.97","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H73 F24 N11 P4 -","- C82 H73 F24 N11 P4 -","- C328 H292 F96 N44 P16 -","4","1","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","1.54184","CuKα","","0.0657","0.0645","","","0.1675","0.1682","","","","","","1.133","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119148","10.5729","0.0006","14.3172","0.0007","14.7328","0.0008","102.508","0.003","93.376","0.003","109.336","0.003","2033.7","0.2","100","2","99.97","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H73 F24 N11 P4 -","- C86 H73 F24 N11 P4 -","- C86 H73 F24 N11 P4 -","1","0.5","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","0.71073","MOKα","","0.0862","0.0459","","","0.0832","0.0938","","","","","","0.837","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119149","4.04976","0.00006","3.99218","0.00006","4.02076","0.00007","90","","90.1012","0.0027","90","","65.005","0.0018","","","","","","","","","","","","3","P 1 m 1","P -2y","6","","","","- K Nb O3 -","- K Nb O3 -","- K Nb O3 -","1","0.5","","Seungwook Kim; Ju-Hyuck Lee; Jaeyeon Lee; Sang-Woo Kim; Myung Hwa Kim; Sungnam Park; Haegeun Chung; Yong-Il Kim; Woong Kim","Synthesis of Monoclinic Potassium Niobate Nanowires That Are Stable at Room Temperature","Journal of the American Chemical Society","2013","135","","6","9","10.1021/ja308209m","powder diffraction","neutron,x-ray","1.7889","Kα~1~","","","","","","","","","","1.23","","","","","","","has coordinates,has Fobs","178962","2020-10-21","18:00:00",""
"4119150","8.167","0.0004","9.822","0.0005","28.7845","0.0015","84.5478","0.0015","81.1159","0.0016","70.5933","0.0015","2149.3","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H52 Cl2 N2 O4 -","- C52 H50 Cl2.01 N2 O4 -","- C104 H100 Cl4.02 N4 O8 -","2","1","","Kenji Kamada; Shin-ichi Fuku-en; Shu Minamide; Koji Ohta; Ryohei Kishi; Masayoshi Nakano; Hiroyuki Matsuzaki; Hiroshi Okamoto; Hiroyuki Higashikawa; Katsuya Inoue; Satoshi Kojima; Yohsuke Yamamoto","Impact of Diradical Character on Two-Photon Absorption: Bis(acridine) Dimers Synthesized from an Allenic Precursor","Journal of the American Chemical Society","2013","135","","232","241","10.1021/ja308396a","","","0.71075","MoKα","","0.0865","0.0613","","","0.1583","0.1751","","","","","","1.034","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119151","15.8946","0.0009","15.9921","0.0009","16.6323","0.0009","82.766","0.001","82.233","0.001","59.085","0.001","3585.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H122 B44 Cl25.3 N6 O8 -","- C108 H98 B44 Cl25.3 N6 O8 -","- C108 H98 B44 Cl25.3 N6 O8 -","1","0.5","","Kenji Kamada; Shin-ichi Fuku-en; Shu Minamide; Koji Ohta; Ryohei Kishi; Masayoshi Nakano; Hiroyuki Matsuzaki; Hiroshi Okamoto; Hiroyuki Higashikawa; Katsuya Inoue; Satoshi Kojima; Yohsuke Yamamoto","Impact of Diradical Character on Two-Photon Absorption: Bis(acridine) Dimers Synthesized from an Allenic Precursor","Journal of the American Chemical Society","2013","135","","232","241","10.1021/ja308396a","","","0.71075","MoKα","","0.1254","0.0833","","","0.2237","0.2541","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119152","10.899","0.005","15.951","0.007","16.719","0.007","73.896","0.005","86.601","0.006","78.579","0.005","2737","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H98 Cl16 N6 O8 Sb4 -","- C104 H98 Cl16 N6 O8 Sb4 -","- C104 H98 Cl16 N6 O8 Sb4 -","1","0.5","","Kenji Kamada; Shin-ichi Fuku-en; Shu Minamide; Koji Ohta; Ryohei Kishi; Masayoshi Nakano; Hiroyuki Matsuzaki; Hiroshi Okamoto; Hiroyuki Higashikawa; Katsuya Inoue; Satoshi Kojima; Yohsuke Yamamoto","Impact of Diradical Character on Two-Photon Absorption: Bis(acridine) Dimers Synthesized from an Allenic Precursor","Journal of the American Chemical Society","2013","135","","232","241","10.1021/ja308396a","","","0.71073","MoKα","","0.1137","0.054","","","0.097","0.1175","","","","","","0.988","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119153","13.7602","0.0004","17.3137","0.0005","20.1132","0.0006","71.596","0.001","81.36","0.001","82.201","0.001","4475.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cl3 I N2 S -","- C20 H18 Cl3 I N2 S -","- C160 H144 Cl24 I8 N16 S8 -","8","4","","Nathaniel I. Shank; Ha H. Pham; Alan S. Waggoner; Bruce A. Armitage","Twisted Cyanines: A Non-Planar Fluorogenic Dye with Superior Photostability and its Use in a Protein-Based Fluoromodule","Journal of the American Chemical Society","2013","135","","242","251","10.1021/ja308629w","","","1.54178","CuKα","","0.0588","0.056","","","0.1318","0.1337","","","","","","0.997","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119154","19.063","0.0005","14.8769","0.0004","7.352","0.0003","90","","90","","90","","2085.02","0.12","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H19 I N4 S -","- C22 H19 I N4 S -","- C88 H76 I4 N16 S4 -","4","1","","Nathaniel I. Shank; Ha H. Pham; Alan S. Waggoner; Bruce A. Armitage","Twisted Cyanines: A Non-Planar Fluorogenic Dye with Superior Photostability and its Use in a Protein-Based Fluoromodule","Journal of the American Chemical Society","2013","135","","242","251","10.1021/ja308629w","","","1.54178","CuKα","","0.0327","0.0282","","","0.0777","0.0817","","","","","","0.824","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119155","5.9054","0.0001","16.73","0.0003","13.3212","0.0002","90","","96.165","0.001","90","","1308.49","0.04","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H15 F -","- C18 H15 F -","- C72 H60 F4 -","4","2","","Prantik Maity; Danielle M. Shacklady-McAtee; Glenn P. A. Yap; Eric R. Sirianni; Mary P. Watson","Nickel-Catalyzed Cross Couplings of Benzylic Ammonium Salts and Boronic Acids: Stereospecific Formation of Diarylethanes via C-N Bond Activation","Journal of the American Chemical Society","2013","135","","280","285","10.1021/ja3089422","","","1.54178","CuKα","","0.0259","0.0256","","","0.0743","0.0746","","","","","","1.051","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119156","10.3072","0.0018","11.549","0.002","15.755","0.003","109.485","0.003","93.164","0.003","112.72","0.003","1593.9","0.5","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H36 F3 Ni O4 P S -","- C31 H36 F3 Ni O4 P S -","- C62 H72 F6 Ni2 O8 P2 S2 -","2","1","","Prantik Maity; Danielle M. Shacklady-McAtee; Glenn P. A. Yap; Eric R. Sirianni; Mary P. Watson","Nickel-Catalyzed Cross Couplings of Benzylic Ammonium Salts and Boronic Acids: Stereospecific Formation of Diarylethanes via C-N Bond Activation","Journal of the American Chemical Society","2013","135","","280","285","10.1021/ja3089422","","","0.71073","MoKα","","0.0693","0.0486","","","0.1207","0.1341","","","","","","1.051","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119157","9.9847","0.0015","12.0015","0.0018","15.433","0.002","69.605","0.002","86.8","0.002","81.055","0.002","1712.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H80 B2 F8 N4 O16 -","- C70 H80 B2 F8 N4 O16 -","- C70 H80 B2 F8 N4 O16 -","1","0.5","","Natalie D. Suhan; Stephen J. Loeb; S. Holger Eichhorn","Mesomorphic [2]Rotaxanes: Sheltering Ionic Cores with Interlocking Components","Journal of the American Chemical Society","2013","135","","400","408","10.1021/ja309558p","","","0.71073","MoKα","","0.0878","0.0641","","","0.159","0.1753","","","","","","1.021","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119158","12.442","0.003","16.488","0.004","20.443","0.005","104.939","0.003","90.035","0.003","91.766","0.003","4049.9","1.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H77 F12 N5 O29 S4 -","- C74 H77 F12 N5 O29 S4 -","- C148 H154 F24 N10 O58 S8 -","2","1","","Natalie D. Suhan; Stephen J. Loeb; S. Holger Eichhorn","Mesomorphic [2]Rotaxanes: Sheltering Ionic Cores with Interlocking Components","Journal of the American Chemical Society","2013","135","","400","408","10.1021/ja309558p","","","0.71073","MoKα","","0.0981","0.0808","","","0.2165","0.2277","","","","","","1.072","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119159","7.889","0.005","8.303","0.005","14.135","0.008","77.9","0.007","78.893","0.007","68.444","0.008","835.2","0.9","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H42 Cl2 F2 N4 O2 Rh2 -","- C34 H42 Cl2 F2 N4 O2 Rh2 -","- C34 H42 Cl2 F2 N4 O2 Rh2 -","1","0.5","","Baoqing Liu; Yang Fan; Yang Gao; Chao Sun; Cheng Xu; Jin Zhu","Rhodium(III)-Catalyzed N-Nitroso-Directed C-H Olefination of Arenes. High-Yield, Versatile Coupling under Mild Conditions","Journal of the American Chemical Society","2013","135","","468","473","10.1021/ja3099245","","","0.71073","MoKα","","0.0511","0.0432","","","0.1361","0.1527","","","","","","1.177","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119160","11.8521","0.0004","11.4984","0.0004","13.7899","0.0005","90","","104.612","0.004","90","","1818.51","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H58 Al2 Cl6 N2 O4 -","- C24 H58 Al2 Cl6 N2 O4 -","- C48 H116 Al4 Cl12 N4 O8 -","2","0.5","","Viktor Bagutski; Alessandro Del Grosso; Josue Ayuso Carrillo; Ian A. Cade; Matthew D. Helm; James R. Lawson; Paul J. Singleton; Sophia A. Solomon; Tommaso Marcelli; Michael J. Ingleson","Mechanistic Studies into Amine-Mediated Electrophilic Arene Borylation and Its Application in MIDA Boronate Synthesis","Journal of the American Chemical Society","2013","135","","474","487","10.1021/ja3100963","","","0.71073","MoKα","","0.0495","0.032","","","0.0681","0.0705","","","","","","0.901","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119161","6.9213","0.0004","7.6026","0.0004","17.3776","0.001","85.607","0.005","87.046","0.005","80.595","0.005","898.76","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H15 Al B Cl4 N O2 -","- C14 H15 Al B Cl4 N O2 -","- C28 H30 Al2 B2 Cl8 N2 O4 -","2","1","","Viktor Bagutski; Alessandro Del Grosso; Josue Ayuso Carrillo; Ian A. Cade; Matthew D. Helm; James R. Lawson; Paul J. Singleton; Sophia A. Solomon; Tommaso Marcelli; Michael J. Ingleson","Mechanistic Studies into Amine-Mediated Electrophilic Arene Borylation and Its Application in MIDA Boronate Synthesis","Journal of the American Chemical Society","2013","135","","474","487","10.1021/ja3100963","","","0.71073","MoKα","","0.0474","0.0389","","","0.1039","0.1072","","","","","","0.975","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119162","25.828","0.005","11.176","0.004","25.728","0.005","90","0.005","109.39","0.005","90","0.005","7005","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 B F3 N O5 S -","- C15 H15 B F3 N O5 S -","- C240 H240 B16 F48 N16 O80 S16 -","16","2","","Viktor Bagutski; Alessandro Del Grosso; Josue Ayuso Carrillo; Ian A. Cade; Matthew D. Helm; James R. Lawson; Paul J. Singleton; Sophia A. Solomon; Tommaso Marcelli; Michael J. Ingleson","Mechanistic Studies into Amine-Mediated Electrophilic Arene Borylation and Its Application in MIDA Boronate Synthesis","Journal of the American Chemical Society","2013","135","","474","487","10.1021/ja3100963","","","0.71073","MoKα","","0.1267","0.066","","","0.1581","0.1724","","","","","","0.966","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119163","13.8192","0.0008","25.5354","0.0017","16.8644","0.0009","90","","71.809","0.006","90","","5653.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H25 B12 Br6 N O2 -","- C13 H25 B12 Br6 N O2 -","- C104 H200 B96 Br48 N8 O16 -","8","2","","Viktor Bagutski; Alessandro Del Grosso; Josue Ayuso Carrillo; Ian A. Cade; Matthew D. Helm; James R. Lawson; Paul J. Singleton; Sophia A. Solomon; Tommaso Marcelli; Michael J. Ingleson","Mechanistic Studies into Amine-Mediated Electrophilic Arene Borylation and Its Application in MIDA Boronate Synthesis","Journal of the American Chemical Society","2013","135","","474","487","10.1021/ja3100963","","","0.71073","MoKα","","0.1188","0.0852","","","0.2","0.2252","","","","","","1.023","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119164","9.358","0.002","12.215","0.003","12.764","0.003","90","","107.11","0.03","90","","1394.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Al Cl3 N -","- C12 H12 Al Cl3 N -","- C48 H48 Al4 Cl12 N4 -","4","1","","Viktor Bagutski; Alessandro Del Grosso; Josue Ayuso Carrillo; Ian A. Cade; Matthew D. Helm; James R. Lawson; Paul J. Singleton; Sophia A. Solomon; Tommaso Marcelli; Michael J. Ingleson","Mechanistic Studies into Amine-Mediated Electrophilic Arene Borylation and Its Application in MIDA Boronate Synthesis","Journal of the American Chemical Society","2013","135","","474","487","10.1021/ja3100963","","","0.71073","MoKα","","0.1494","0.1167","","","0.2823","0.3003","","","","","","1.149","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119165","13.3468","0.0005","13.1469","0.0005","13.1419","0.0004","90","","90.046","0.003","90","","2306","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cl3 Ga N -","- C9 H9 Cl3 Ga N -","- C72 H72 Cl24 Ga8 N8 -","8","2","","Viktor Bagutski; Alessandro Del Grosso; Josue Ayuso Carrillo; Ian A. Cade; Matthew D. Helm; James R. Lawson; Paul J. Singleton; Sophia A. Solomon; Tommaso Marcelli; Michael J. Ingleson","Mechanistic Studies into Amine-Mediated Electrophilic Arene Borylation and Its Application in MIDA Boronate Synthesis","Journal of the American Chemical Society","2013","135","","474","487","10.1021/ja3100963","","","0.71073","MoKα","","0.0348","0.0274","","","0.076","0.0776","","","","","","1.068","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119166","11.8692","0.0004","12.5376","0.0004","22.9317","0.0008","90","","90","","90","","3412.5","0.2","143","1","143","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H54 Cl N3 O Si6 U -","- C18 H54 Cl N3 O Si6 U -","- C72 H216 Cl4 N12 O4 Si24 U4 -","4","1","","Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter","Reductive Cleavage of Nitrite to Form Terminal Uranium Mono-Oxo Complexes","Journal of the American Chemical Society","2013","135","","511","518","10.1021/ja311057y","","","0.71073","MoKα","","0.0216","0.017","","","0.03","0.0307","","","","","","0.975","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119167","10.707","0.0012","18.0278","0.0018","18.0287","0.0018","104.511","0.005","101.754","0.005","101.706","0.005","3177.7","0.6","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H52 N2 O4 Si4 U -","- C20 H52 N2 O4 Si4 U -","- C80 H208 N8 O16 Si16 U4 -","4","2","","Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter","Reductive Cleavage of Nitrite to Form Terminal Uranium Mono-Oxo Complexes","Journal of the American Chemical Society","2013","135","","511","518","10.1021/ja311057y","","","0.71073","MoKα","","0.0445","0.0397","","","0.1069","0.1118","","","","","","1.087","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119168","11.9455","0.001","19.6016","0.0016","17.9892","0.0015","90","","99.943","0.005","90","","4148.9","0.6","143","1","143","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H132 Cl2 F4 N6 O2 Si12 U2 -","- C52 H132 Cl2 F4 N6 O2 Si12 U2 -","- C104 H264 Cl4 F8 N12 O4 Si24 U4 -","2","0.5","","Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter","Reductive Cleavage of Nitrite to Form Terminal Uranium Mono-Oxo Complexes","Journal of the American Chemical Society","2013","135","","511","518","10.1021/ja311057y","","","0.71073","MoKα","","0.0679","0.0481","","","0.1096","0.1158","","","","","","1.191","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119169","11.8088","0.0008","12.4796","0.0009","22.9669","0.0016","90","","90","","90","","3384.6","0.4","143","1","143","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H54 F N3 O Si6 U -","- C18 H54 F N3 O Si6 U -","- C72 H216 F4 N12 O4 Si24 U4 -","4","1","","Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter","Reductive Cleavage of Nitrite to Form Terminal Uranium Mono-Oxo Complexes","Journal of the American Chemical Society","2013","135","","511","518","10.1021/ja311057y","","","0.71073","MoKα","","0.015","0.0141","","","0.0328","0.0331","","","","","","1.075","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119170","18.5005","0.0009","18.5005","0.0009","16.9729","0.0007","90","","90","","120","","5031","0.4","143","1","143","1","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C18 H54 Br N3 O Si6 U -","- C18 H54 Br1.1 N3 O0.9 Si6 U -","- C108 H324 Br6.6 N18 O5.4 Si36 U6 -","6","0.333333","","Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter","Reductive Cleavage of Nitrite to Form Terminal Uranium Mono-Oxo Complexes","Journal of the American Chemical Society","2013","135","","511","518","10.1021/ja311057y","","","0.71073","MoKα","","0.027","0.0245","","","0.0589","0.0606","","","","","","1.186","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119171","6.2434","0.0009","11.4384","0.0019","23.962","0.004","90","","90","","90","","1711.2","0.5","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C68 H100 N4 O20 -","4","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Access to the Akuammiline Family of Alkaloids: Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2013","135","","519","528","10.1021/ja3111626","","","0.71073","MoKα","","0.0507","0.0437","","","0.105","0.1114","","","","","","1.099","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119172","11.2327","0.0006","12.5514","0.0007","20.9905","0.0011","90","","90","","90","","2959.4","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C144 H160 N16 O16 -","8","2","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Access to the Akuammiline Family of Alkaloids: Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2013","135","","519","528","10.1021/ja3111626","","","0.71073","MoKα","","0.0327","0.0286","","","0.079","0.0871","","","","","","1.116","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119173","10.059","0.0005","16.5697","0.0008","20.9187","0.0011","90","","90","","90","","3486.6","0.3","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H46 N2 O2 Si -","- C41 H46 N2 O2 Si -","- C164 H184 N8 O8 Si4 -","4","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Access to the Akuammiline Family of Alkaloids: Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2013","135","","519","528","10.1021/ja3111626","","","0.71073","MoKα","","0.0332","0.0292","","","0.0727","0.0756","","","","","","0.981","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119174","11.6957","0.0008","11.6957","0.0008","25.449","0.002","90","","90","","120","","3014.8","0.4","143","1","143","1","","","","","","","","4","P 65","P 65","170","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C150 H132 N12 O18 -","6","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Access to the Akuammiline Family of Alkaloids: Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2013","135","","519","528","10.1021/ja3111626","","","0.71073","MoKα","","0.0271","0.0253","","","0.0669","0.0685","","","","","","1.041","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119175","9.9543","0.0007","10.1425","0.0008","14.0212","0.001","71.42","0.007","86.557","0.006","68.858","0.007","1249.09","0.18","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H25 Co N14 O4 -","- C17 H25 Co N14 O4 -","- C34 H50 Co2 N28 O8 -","2","1","","Paloma Arranz-Mascarós; Carla Bazzicalupi; Antonio Bianchi; Claudia Giorgi; María-Luz Godino-Salido; María-Dolores Gutiérrez-Valero; Rafael López-Garzón; Matteo Savastano","Thermodynamics of Anion-π Interactions in Aqueous Solution","Journal of the American Chemical Society","2013","135","","102","105","10.1021/ja311389z","","","0.71073","MoKα","","0.0884","0.0534","","","0.1095","0.1287","","","","","","1.015","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119176","10.5385","0.0009","10.7768","0.0009","14.7694","0.0012","90","","108.72","0.001","90","","1588.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cu N2 O5 -","- C16 H14 Cu N2 O5 -","- C64 H56 Cu4 N8 O20 -","4","1","","Liting Du; Zhiyong Lu; Kaiyuan Zheng; Junyi Wang; Xin Zheng; Yi Pan; Xiaozeng You; Junfeng Bai","Fine-Tuning Pore Size by Shifting Coordination Sites of Ligands and Surface Polarization of Metal-Organic Frameworks To Sharply Enhance the Selectivity for CO2","Journal of the American Chemical Society","2013","135","","562","565","10.1021/ja309992a","","","0.71073","MoKα","","0.032","0.028","","","0.0757","0.0772","","","","","","1.031","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119177","10.908","0.007","12.434","0.008","14.354","0.009","90","","107.495","0.007","90","","1857","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cu N3 O6 -","- C15 H15 Cu N3 O6 -","- C60 H60 Cu4 N12 O24 -","4","1","","Liting Du; Zhiyong Lu; Kaiyuan Zheng; Junyi Wang; Xin Zheng; Yi Pan; Xiaozeng You; Junfeng Bai","Fine-Tuning Pore Size by Shifting Coordination Sites of Ligands and Surface Polarization of Metal-Organic Frameworks To Sharply Enhance the Selectivity for CO2","Journal of the American Chemical Society","2013","135","","562","565","10.1021/ja309992a","","","0.71073","MoKα","","0.0806","0.0548","","","0.103","0.1087","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119178","17.939","0.004","20.419","0.004","21.475","0.004","65.46","0.03","81.08","0.03","79.92","0.03","7015","3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C291 H272 Cl45 N24 -","- C291 H272 Cl45 N24 -","- C291 H272 Cl45 N24 -","1","0.5","","Koushik Acharyya; Sandip Mukherjee; Partha Sarathi Mukherjee","Molecular Marriage through Partner Preferences in Covalent Cage Formation and Cage-to-Cage Transformation","Journal of the American Chemical Society","2013","135","","554","557","10.1021/ja310083p","","","0.71073","MoKα","","0.1731","0.1434","","","0.4104","0.4349","","","","","","1.755","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119179","15.761","0.003","14.146","0.003","27.681","0.009","90","","110.48","0.03","90","","5782","3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C104 H22 S4 -","- C104 H22 S4 -","- C416 H88 S16 -","4","1","","Jing Zhang; Jiahui Tan; Zhiying Ma; Wei Xu; Guangyao Zhao; Hua Geng; Chong'an Di; Wenping Hu; Zhigang Shuai; Kamaljit Singh; Daoben Zhu","Fullerene/Sulfur-Bridged Annulene Cocrystals: Two-Dimensional Segregated Heterojunctions with Ambipolar Transport Properties and Photoresponsivity","Journal of the American Chemical Society","2013","135","","558","561","10.1021/ja310098k","","","0.71073","MoKα","","0.2233","0.1817","","","0.3766","0.4043","","","","","","1.189","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119180","13.225","0.0011","13.299","0.0012","14.98","0.0014","90","","101.276","0.005","90","","2583.8","0.4","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C94 H22 S4 -","- C94 H22 S4 -","- C188 H44 S8 -","2","0.5","","Jing Zhang; Jiahui Tan; Zhiying Ma; Wei Xu; Guangyao Zhao; Hua Geng; Chong'an Di; Wenping Hu; Zhigang Shuai; Kamaljit Singh; Daoben Zhu","Fullerene/Sulfur-Bridged Annulene Cocrystals: Two-Dimensional Segregated Heterojunctions with Ambipolar Transport Properties and Photoresponsivity","Journal of the American Chemical Society","2013","135","","558","561","10.1021/ja310098k","","","0.71075","MoKα","","0.1099","0.096","","","0.2207","0.2267","","","","","","1.15","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119181","9.832","0.004","14.414","0.005","17.01","0.006","90","","91.683","0.006","90","","2409.6","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 K2 Mg O2 -","- C20 H36 K2 Mg O2 -","- C80 H144 K8 Mg4 O8 -","4","1","","Crispin Lichtenberg; Thomas P. Spaniol; Ilja Peckermann; Timothy P. Hanusa; Jun Okuda","Cationic, Neutral, and Anionic Allyl Magnesium Compounds: Unprecedented Ligand Conformations and Reactivity Toward Unsaturated Hydrocarbons","Journal of the American Chemical Society","2013","135","","811","821","10.1021/ja310112e","","","0.71073","MoKα","","0.1064","0.0836","","","0.2145","0.2328","","","","","","1.054","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119182","12.773","0.008","8.873","0.006","14.54","0.009","90","","112.157","0.008","90","","1526.2","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H26 Mg O3 -","- C14 H26 Mg O3 -","- C56 H104 Mg4 O12 -","4","0.5","","Crispin Lichtenberg; Thomas P. Spaniol; Ilja Peckermann; Timothy P. Hanusa; Jun Okuda","Cationic, Neutral, and Anionic Allyl Magnesium Compounds: Unprecedented Ligand Conformations and Reactivity Toward Unsaturated Hydrocarbons","Journal of the American Chemical Society","2013","135","","811","821","10.1021/ja310112e","","","0.71073","MoKα","","0.039","0.0363","","","0.1032","0.1059","","","","","","1.055","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119183","8.4208","0.0011","16.265","0.002","30.417","0.004","90","","90.652","0.003","90","","4165.8","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 B F20 Mg N3 O -","- C40 H36 B F20 Mg N3 O -","- C160 H144 B4 F80 Mg4 N12 O4 -","4","1","","Crispin Lichtenberg; Thomas P. Spaniol; Ilja Peckermann; Timothy P. Hanusa; Jun Okuda","Cationic, Neutral, and Anionic Allyl Magnesium Compounds: Unprecedented Ligand Conformations and Reactivity Toward Unsaturated Hydrocarbons","Journal of the American Chemical Society","2013","135","","811","821","10.1021/ja310112e","","","0.71073","MoKα","","0.1027","0.0574","","","0.1272","0.1509","","","","","","1.031","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119184","6.5069","0.0011","10.1418","0.0017","11.965","0.002","90","","91.911","0.003","90","","789.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H23 K Mg O -","- C13 H23 K Mg O -","- C26 H46 K2 Mg2 O2 -","2","0.5","","Crispin Lichtenberg; Thomas P. Spaniol; Ilja Peckermann; Timothy P. Hanusa; Jun Okuda","Cationic, Neutral, and Anionic Allyl Magnesium Compounds: Unprecedented Ligand Conformations and Reactivity Toward Unsaturated Hydrocarbons","Journal of the American Chemical Society","2013","135","","811","821","10.1021/ja310112e","","","0.71073","MoKα","","0.0981","0.0865","","","0.2454","0.2598","","","","","","1.064","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119185","10.916","0.005","11.38","0.006","12.186","0.006","88.894","0.017","87.433","0.016","84.956","0.014","1506.2","1.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H28 B Cl2 F4 N7 O4 -","- C26 H28 B Cl2 F4 N7 O4 -","- C52 H56 B2 Cl4 F8 N14 O8 -","2","1","","De-Xian Wang; Mei-Xiang Wang","Anion-π Interactions: Generality, Binding Strength, and Structure","Journal of the American Chemical Society","2013","135","","892","897","10.1021/ja310834w","","","0.71073","MoKα","","0.1546","0.1467","","","0.3822","0.3864","","","","","","2.474","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119186","36.529","0.007","17.756","0.004","17.766","0.004","90","","90","","90","","11523","4","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C26 H28 Cl2 N8 O7 -","- C26 H28 Cl2 N8 O7 -","- C416 H448 Cl32 N128 O112 -","16","","","De-Xian Wang; Mei-Xiang Wang","Anion-π Interactions: Generality, Binding Strength, and Structure","Journal of the American Chemical Society","2013","135","","892","897","10.1021/ja310834w","","","0.71073","MoKα","","0.0672","0.0613","","","0.1411","0.1447","","","","","","1.221","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119187","15.947","0.002","16.119","0.002","12.028","0.002","90","","90","","90","","3091.8","0.7","173","2","173","2","","","","","","","","7","C m m a","-C 2a 2","67","","","","- C26 H28 Cl2 F6 N7 O4 P -","- C26 H28 Cl2 F6 N7 O4 P -","- C104 H112 Cl8 F24 N28 O16 P4 -","4","0.25","","De-Xian Wang; Mei-Xiang Wang","Anion-π Interactions: Generality, Binding Strength, and Structure","Journal of the American Chemical Society","2013","135","","892","897","10.1021/ja310834w","","","0.71073","MoKα","","0.073","0.0674","","","0.1394","0.1424","","","","","","1.195","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119188","10.804","0.003","12.288","0.003","22.243","0.005","90","","90.85","0.03","90","","2952.6","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cl2 N8 O4 S -","- C27 H28 Cl2 N8 O4 S -","- C108 H112 Cl8 N32 O16 S4 -","4","1","","De-Xian Wang; Mei-Xiang Wang","Anion-π Interactions: Generality, Binding Strength, and Structure","Journal of the American Chemical Society","2013","135","","892","897","10.1021/ja310834w","","","0.71073","MoKα","","0.0798","0.0728","","","0.1705","0.1805","","","","","","1.281","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119189","9.1263","0.0002","13.7512","0.0004","19.0619","0.0005","90","","102.681","0.001","90","","2333.87","0.11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 O7 -","- C25 H32 O7 -","- C100 H128 O28 -","4","1","","Christopher W. am Ende; Zhou Zhou; Kathlyn A. Parker","Total Synthesis of (\±)-Bisabosqual A","Journal of the American Chemical Society","2013","135","","582","585","10.1021/ja3108577","","","1.54178","CuKα","","0.075","0.0569","","","0.1533","0.1675","","","","","","1.035","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119190","13.4295","0.0004","15.0649","0.0004","9.8384","0.0003","90","","104.678","0.002","90","","1925.49","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 I O7 -","- C18 H19 I O7 -","- C72 H76 I4 O28 -","4","1","","Christopher W. am Ende; Zhou Zhou; Kathlyn A. Parker","Total Synthesis of (\±)-Bisabosqual A","Journal of the American Chemical Society","2013","135","","582","585","10.1021/ja3108577","","","1.54178","CuKα","","0.0682","0.0628","","","0.1705","0.177","","","","","","1.068","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119191","5.4428","0.0003","9.2903","0.0005","19.7811","0.001","87.538","0.002","85.332","0.002","85.189","0.002","992.75","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H28 O5 -","- C23 H28 O5 -","- C46 H56 O10 -","2","1","","Christopher W. am Ende; Zhou Zhou; Kathlyn A. Parker","Total Synthesis of (\±)-Bisabosqual A","Journal of the American Chemical Society","2013","135","","582","585","10.1021/ja3108577","","","1.54178","CuKα","","0.0565","0.0526","","","0.1506","0.155","","","","","","1.062","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119192","6.4186","0.0002","10.3245","0.0004","19.9503","0.0007","90","","90","","90","","1322.08","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 O4 P -","- C13 H19 O4 P -","- C52 H76 O16 P4 -","4","1","","Michael T. Corbett; Jeffrey S. Johnson","Diametric Stereocontrol in Dynamic Catalytic Reduction of Racemic Acyl Phosphonates: Divergence from α-Keto Ester Congeners","Journal of the American Chemical Society","2013","135","","594","597","10.1021/ja310980q","","","1.54178","CuKα","","0.0379","0.0348","","","0.0917","0.0935","","","","","","1.051","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119193","8.0332","0.0006","10.8528","0.0008","17.7547","0.0013","90","","90","","90","","1547.9","0.2","100","2","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O8 -","- C16 H16 O8 -","- C64 H64 O32 -","4","1","","Michael T. Corbett; Jeffrey S. Johnson","Diametric Stereocontrol in Dynamic Catalytic Reduction of Racemic Acyl Phosphonates: Divergence from α-Keto Ester Congeners","Journal of the American Chemical Society","2013","135","","594","597","10.1021/ja310980q","","","1.54178","CuKα","","0.0237","0.0236","","","0.0606","0.0608","","","","","","1.058","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119194","10.6837","0.0003","5.7318","0.0002","11.1098","0.0004","90","","106.432","0.003","90","","652.54","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 O4 P -","- C12 H19 O4 P -","- C24 H38 O8 P2 -","2","1","","Michael T. Corbett; Jeffrey S. Johnson","Diametric Stereocontrol in Dynamic Catalytic Reduction of Racemic Acyl Phosphonates: Divergence from α-Keto Ester Congeners","Journal of the American Chemical Society","2013","135","","594","597","10.1021/ja310980q","","","1.54178","CuKα","","0.0532","0.0474","","","0.1135","0.1174","","","","","","1.092","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119195","8.4899","0.0006","8.4899","0.0006","18.144","0.002","90","","90","","120","","1132.58","0.17","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Au5 Mn Y3 -","- Au5 Mn Y3 -","- Au30 Mn6 Y18 -","6","0.333333","","Saroj L. Samal; Abhishek Pandey; David C. Johnston; John D. Corbett","Y3MnAu5: Three Distinctived-Metal Functions in an Intergrown Cluster Phase","Journal of the American Chemical Society","2013","135","","910","917","10.1021/ja3110208","","","0.71073","MoKα","","0.0352","0.031","","","0.0556","0.0589","","","","","","0.958","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119196","44.419","0.009","75.649","0.015","46.041","0.009","90","","113.05","0.03","90","","142358","6","90","2","90","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C2016 H1728 F483 N288 O57 P83 Pd48 -","- C2016 H1728 F483 N288 O57 P83 Pd48 -","- C4032 H3456 F966 N576 O114 P166 Pd96 -","2","0.5","","Yu Fang; Takashi Murase; Sota Sato; Makoto Fujita","Noncovalent Tailoring of the Binding Pocket of Self-Assembled Cages by Remote Bulky Ancillary Groups","Journal of the American Chemical Society","2013","135","","613","615","10.1021/ja311373f","","","0.85","synchrotron","","0.188","0.1638","","","0.4344","0.4531","","","","","","1.882","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119197","11.5814","0.0011","11.7027","0.0011","14.1322","0.0014","71.241","0.001","89.359","0.001","68.989","0.001","1681.3","0.3","90","2","90","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H34 N6 O6 Pd -","- C34 H34 N6 O6 Pd -","- C68 H68 N12 O12 Pd2 -","2","2","","Yu Fang; Takashi Murase; Sota Sato; Makoto Fujita","Noncovalent Tailoring of the Binding Pocket of Self-Assembled Cages by Remote Bulky Ancillary Groups","Journal of the American Chemical Society","2013","135","","613","615","10.1021/ja311373f","","","0.71073","MoKα","","0.0357","0.0341","","","0.09","0.0919","","","","","","1.09","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119198","11.3232","0.0001","6.4161","0.0001","19.396","0.0002","90","","97.54","0.001","90","","1396.95","0.03","290","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Bin Xiao; Zhao-Jing Liu; Lei Liu; Yao Fu","Palladium-Catalyzed C-H Activation/Cross-Coupling of Pyridine N-Oxides with Nonactivated Secondary Alkyl Bromides","Journal of the American Chemical Society","2013","135","","616","619","10.1021/ja3113752","","","1.54184","CuKα","","0.0486","0.047","","","0.1245","0.1258","","","","","","1.06","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119199","17.0864","0.0002","10.1163","0.0001","20.225","0.0003","90","","108.796","0.001","90","","3309.48","0.07","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H35 N O2 -","- C25 H35 N O2 -","- C150 H210 N6 O12 -","6","3","","Bin Xiao; Zhao-Jing Liu; Lei Liu; Yao Fu","Palladium-Catalyzed C-H Activation/Cross-Coupling of Pyridine N-Oxides with Nonactivated Secondary Alkyl Bromides","Journal of the American Chemical Society","2013","135","","616","619","10.1021/ja3113752","","","1.54184","CuKα","","0.0508","0.0443","","","0.1205","0.1392","","","","","","1.058","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119200","10.8079","0.0013","11.3243","0.0011","39.272","0.005","90","","90","","90","","4806.6","1","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H54 Cl10 N2 O2 Si -","- C38 H54 Cl10 N2 O2 Si -","- C152 H216 Cl40 N8 O8 Si4 -","4","1","","Bin Xiao; Zhao-Jing Liu; Lei Liu; Yao Fu","Palladium-Catalyzed C-H Activation/Cross-Coupling of Pyridine N-Oxides with Nonactivated Secondary Alkyl Bromides","Journal of the American Chemical Society","2013","135","","616","619","10.1021/ja3113752","","","1.54184","CuKα","","0.1031","0.0605","","","0.1542","0.223","","","","","","1.083","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119201","11.917","0.0003","19.611","0.0003","14.274","0.0004","90","","119.088","0.002","90","","2915.15","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phenoxy(phenyl)(butadienyl)borane","phenoxy(phenyl)((1E,3E)-1,2,3,4-tetraphenylbuta-1,3-dienyl)borane","","- C40 H31 B O -","- C40 H31 B O -","- C160 H124 B4 O4 -","4","1","","Adrian Y. Houghton; Virve A. Karttunen; Cheng Fan; Warren E. Piers; Heikki M. Tuononen","Mechanistic Studies on the Metal-Free Activation of Dihydrogen by Antiaromatic Pentarylboroles","Journal of the American Chemical Society","2013","135","","941","947","10.1021/ja311842r","","","0.71073","MoKα","","0.0838","0.0587","","","0.1354","0.1506","","","","","","1.161","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119202","9.841","0.004","11.072","0.003","11.722","0.003","90","","92.397","0.017","90","","1276.1","0.7","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H31 O2 Rh -","- C33 H31 O2 Rh -","- C66 H62 O4 Rh2 -","2","1","","Baihua Ye; Nicolai Cramer","A Tunable Class of Chiral Cp Ligands for Enantioselective Rhodium(III)-Catalyzed C-H Allylations of Benzamides","Journal of the American Chemical Society","2013","135","","636","639","10.1021/ja311956k","","","0.71073","MoKα","","0.0471","0.0406","","","0.0978","0.1028","","","","","","1.077","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119203","8.0078","0.0005","7.1876","0.0004","13.4198","0.0008","90","","90.271","0.005","90","","772.39","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H20 Br N O3 -","- C15 H20 Br N O3 -","- C30 H40 Br2 N2 O6 -","2","1","","Baihua Ye; Nicolai Cramer","A Tunable Class of Chiral Cp Ligands for Enantioselective Rhodium(III)-Catalyzed C-H Allylations of Benzamides","Journal of the American Chemical Society","2013","135","","636","639","10.1021/ja311956k","","","1.54178","CuKα","","0.0634","0.0627","","","0.1694","0.1713","","","","","","1.065","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119204","6.4664","0.0007","24.377","0.003","20.197","0.002","90","","90.982","0.002","90","","3183.2","0.6","153","","153","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 Cl O4 -","- C23 H23 Cl O4 -","- C138 H138 Cl6 O24 -","6","3","","Kohsuke Ohmatsu; Mitsunori Ito; Tomoatsu Kunieda; Takashi Ooi","Exploiting the Modularity of Ion-Paired Chiral Ligands for Palladium-Catalyzed Enantioselective Allylation of Benzofuran-2(3H)-ones","Journal of the American Chemical Society","2013","135","","590","593","10.1021/ja312125a","","","0.71073","MoKα","","0.0866","0.0612","","","0.1184","0.13","","","","","","1.03","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119205","13.716","0.0007","15.8986","0.0007","16.3736","0.0008","73.25","0.002","84.41","0.003","72.393","0.002","3258.6","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H61 F3 Mn3 N7 O17 S Sc -","- C70 H61 F3 Mn3 N7 O17 S Sc -","- C140 H122 F6 Mn6 N14 O34 S2 Sc2 -","2","1","","Jacob S. Kanady; Jose L. Mendoza-Cortes; Emily Y. Tsui; Robert J. Nielsen; William A. Goddard; Theodor Agapie","Oxygen Atom Transfer and Oxidative Water Incorporation in Cuboidal Mn3MOn Complexes Based on Synthetic, Isotopic Labeling, and Computational Studies","Journal of the American Chemical Society","2013","135","","1073","1082","10.1021/ja310022p","","","0.71073","MoKα","","0.0855","0.0464","","","0.1091","0.122","","","","","","1.27","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119206","13.7255","0.0006","18.1596","0.0007","28.1662","0.0011","90","","92.62","0.002","90","","7013.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H80 Mn4 N6 O16.08 -","- C79 H80 Mn4 N6 O16.09 -","- C316 H320 Mn16 N24 O64.36 -","4","1","","Jacob S. Kanady; Jose L. Mendoza-Cortes; Emily Y. Tsui; Robert J. Nielsen; William A. Goddard; Theodor Agapie","Oxygen Atom Transfer and Oxidative Water Incorporation in Cuboidal Mn3MOn Complexes Based on Synthetic, Isotopic Labeling, and Computational Studies","Journal of the American Chemical Society","2013","135","","1073","1082","10.1021/ja310022p","","","0.71073","MoKα","","0.1327","0.0569","","","0.0549","0.0586","","","","","","1.277","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119207","9.7288","0.0006","37.6675","0.0015","9.6351","0.0005","90","","116.53","0.004","90","","3159.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N O7 P Pd S -","- C34 H34 N O7 P Pd S -","- C136 H136 N4 O28 P4 Pd4 S4 -","4","1","","Boris Neuwald; Lucia Caporaso; Luigi Cavallo; Stefan Mecking","Concepts for Stereoselective Acrylate Insertion","Journal of the American Chemical Society","2013","135","","1026","1036","10.1021/ja3101787","","","0.71073","MoKα","","0.0667","0.0486","","","0.1156","0.1215","","","","","","1.072","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119208","14.9093","0.0006","15.1538","0.0007","18.8836","0.0008","83.646","0.003","72.284","0.003","80.759","0.003","4002.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H40 N O6 P Pd S -","- C34 H40 N O6 P Pd S -","- C136 H160 N4 O24 P4 Pd4 S4 -","4","2","","Boris Neuwald; Lucia Caporaso; Luigi Cavallo; Stefan Mecking","Concepts for Stereoselective Acrylate Insertion","Journal of the American Chemical Society","2013","135","","1026","1036","10.1021/ja3101787","","","0.71073","MoKα","","0.0653","0.0389","","","0.077","0.0823","","","","","","0.927","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119209","7.2801","0.0002","20.1482","0.0006","10.9319","0.0003","90","","119.575","0.002","90","","1394.58","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 O2 P S2 -","- C16 H9 O2 P S2 -","- C64 H36 O8 P4 S8 -","4","1","","Xiaoming He; Javier Borau-Garcia; Alva Y. Y. Woo; Simon Trudel; Thomas Baumgartner","Dithieno[3,2-c:2',3'-e]-2,7-diketophosphepin: A Unique Building Block for Multifunctional π-Conjugated Materials","Journal of the American Chemical Society","2013","135","","1137","1147","10.1021/ja310680x","","","0.71073","MoKα","","0.0507","0.0413","","","0.1091","0.1173","","","","","","1.074","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119210","5.262","0.0011","11.761","0.002","14.158","0.003","103.97","0.03","97.96","0.03","98.01","0.03","828.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H9 O2 P S2 -","- C20 H9 O2 P S2 -","- C40 H18 O4 P2 S4 -","2","1","","Xiaoming He; Javier Borau-Garcia; Alva Y. Y. Woo; Simon Trudel; Thomas Baumgartner","Dithieno[3,2-c:2',3'-e]-2,7-diketophosphepin: A Unique Building Block for Multifunctional π-Conjugated Materials","Journal of the American Chemical Society","2013","135","","1137","1147","10.1021/ja310680x","","","0.71073","MoKα","","0.1199","0.0838","","","0.204","0.238","","","","","","1.007","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119211","9.7335","0.0003","13.564","0.0005","21.0262","0.0008","90","","91.726","0.0011","90","","2774.73","0.17","110","2","110","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H35 B F6 N O P Pd -","- C27 H35 B F6 N O P Pd -","- C54 H70 B2 F12 N2 O2 P2 Pd2 -","2","1","","Adam Scharf; Israel Goldberg; Arkadi Vigalok","Evidence for Metal-Ligand Cooperation in a Pd-PNF Pincer-Catalyzed Cross-Coupling","Journal of the American Chemical Society","2013","135","","967","970","10.1021/ja310782k","","","0.71073","MoKα","","0.1255","0.0749","","","0.1621","0.1863","","","","","","1.123","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119212","10.021","0.0005","8.736","0.0003","27.341","0.0014","90","","91.642","0.002","90","","2392.54","0.19","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 F N O P Pd -","- C26 H33 F N O P Pd -","- C104 H132 F4 N4 O4 P4 Pd4 -","4","1","","Adam Scharf; Israel Goldberg; Arkadi Vigalok","Evidence for Metal-Ligand Cooperation in a Pd-PNF Pincer-Catalyzed Cross-Coupling","Journal of the American Chemical Society","2013","135","","967","970","10.1021/ja310782k","","","0.71073","MoKα","","0.1294","0.0473","","","0.0844","0.109","","","","","","0.89","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119213","8.3822","0.0002","11.5637","0.0003","11.5713","0.0001","92.0292","0.0014","98.8743","0.0015","104.785","0.0007","1068.19","0.04","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 F2 N P Pd -","- C24 H28 F2 N P Pd -","- C48 H56 F4 N2 P2 Pd2 -","2","1","","Adam Scharf; Israel Goldberg; Arkadi Vigalok","Evidence for Metal-Ligand Cooperation in a Pd-PNF Pincer-Catalyzed Cross-Coupling","Journal of the American Chemical Society","2013","135","","967","970","10.1021/ja310782k","","","0.71073","MoKα","","0.0462","0.0365","","","0.0862","0.0921","","","","","","1.067","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119214","8.619","0.0009","9.0133","0.0009","12.6557","0.0013","80.212","0.002","71.388","0.002","75.303","0.002","897","0.16","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H34 N2 O8 S2 -","- C40 H34 N2 O8 S2 -","- C40 H34 N2 O8 S2 -","1","1","","Hui Wang; Tao Jiang; Ming-Hua Xu","Simple Branched Sulfur-Olefins as Chiral Ligands for Rh-Catalyzed Asymmetric Arylation of Cyclic Ketimines: Highly Enantioselective Construction of Tetrasubstituted Carbon Stereocenters","Journal of the American Chemical Society","2013","135","","971","974","10.1021/ja3110818","","","0.71073","MoKα","","0.0397","0.0368","","","0.097","0.1002","","","","","","1.05","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119215","9.3333","0.0007","36.817","0.002","19.2308","0.0014","90","","96.9458","0.0017","90","","6559.7","0.8","200","2","200","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","quarteranthene","","","- C94 H74 -","- C94 H74 -","- C376 H296 -","4","1","","Akihito Konishi; Yasukazu Hirao; Kouzou Matsumoto; Hiroyuki Kurata; Ryohei Kishi; Yasuteru Shigeta; Masayoshi Nakano; Kazuya Tokunaga; Kenji Kamada; Takashi Kubo","Synthesis and Characterization of Quarteranthene: Elucidating the Characteristics of the Edge State of Graphene Nanoribbons at the Molecular Level","Journal of the American Chemical Society","2013","135","","1430","1437","10.1021/ja309599m","","","0.71075","MoKα","","0.247","0.0853","","","0.1836","0.2493","","","","","","0.963","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119216","9.7396","0.0003","19.3986","0.0007","21.6326","0.0008","77.6474","0.0011","89.1137","0.0009","84.1088","0.0011","3971.4","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","quarterantheneperoxide","","","- C110 H94 O2 -","- C110 H94 O2 -","- C220 H188 O4 -","2","1","","Akihito Konishi; Yasukazu Hirao; Kouzou Matsumoto; Hiroyuki Kurata; Ryohei Kishi; Yasuteru Shigeta; Masayoshi Nakano; Kazuya Tokunaga; Kenji Kamada; Takashi Kubo","Synthesis and Characterization of Quarteranthene: Elucidating the Characteristics of the Edge State of Graphene Nanoribbons at the Molecular Level","Journal of the American Chemical Society","2013","135","","1430","1437","10.1021/ja309599m","","","0.71075","MoKα","","0.1676","0.0761","","","0.1871","0.235","","","","","","1.022","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119217","6.1432","0.0003","17.988","0.0008","12.9513","0.0006","90","","91.17","0.003","90","","1430.87","0.12","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","2","","Vincent N. G. Lindsay; Dominic Fiset; Philipp J. Gritsch; Soula Azzi; André B. Charette","Stereoselective Rh2(S-IBAZ)4-Catalyzed Cyclopropanation of Alkenes, Alkynes, and Allenes: Asymmetric Synthesis of Diacceptor Cyclopropylphosphonates and Alkylidenecyclopropanes","Journal of the American Chemical Society","2013","135","","1463","1470","10.1021/ja3099728","","","1.54178","CuKα","","0.0451","0.042","","","0.1034","0.1052","","","","","","1.141","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119218","5.9104","0.0004","9.8673","0.0005","25.267","0.0014","90","","90","","90","","1473.56","0.15","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl N O2 -","- C16 H16 Cl N O2 -","- C64 H64 Cl4 N4 O8 -","4","1","","Vincent N. G. Lindsay; Dominic Fiset; Philipp J. Gritsch; Soula Azzi; André B. Charette","Stereoselective Rh2(S-IBAZ)4-Catalyzed Cyclopropanation of Alkenes, Alkynes, and Allenes: Asymmetric Synthesis of Diacceptor Cyclopropylphosphonates and Alkylidenecyclopropanes","Journal of the American Chemical Society","2013","135","","1463","1470","10.1021/ja3099728","","","1.54178","CuKα","","0.0619","0.0586","","","0.1425","0.1454","","","","","","1.05","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119219","6.0301","0.0004","18.347","0.0014","19.0401","0.0013","90","","95.541","0.004","90","","2096.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PCMOF-5","","","- C10 H10 La O16 P4 -","- C10 H10 La O16 P4 -","- C40 H40 La4 O64 P16 -","4","1","","Jared M. Taylor; Karl W. Dawson; George K. H. Shimizu","A Water-Stable Metal-Organic Framework with Highly Acidic Pores for Proton-Conducting Applications","Journal of the American Chemical Society","2013","135","","1193","1196","10.1021/ja310435e","","","1.54178","CuKα","","0.0368","0.0332","","","0.1102","0.1247","","","","","","1.183","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119220","9.4422","0.0007","14.2545","0.0012","24.8885","0.0012","90","","90","","90","","3349.8","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 Cl2 N2 O11 S -","- C30 H46 Cl2 N2 O11 S -","- C120 H184 Cl8 N8 O44 S4 -","4","1","","Daniel J. Jansen; Ryan A. Shenvi","Synthesis of (-)-Neothiobinupharidine","Journal of the American Chemical Society","2013","135","","1209","1212","10.1021/ja310778t","","","0.71073","MoKα","","0.0758","0.0608","","","0.1573","0.1696","","","","","","1.023","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119221","16.5555","0.0003","18.3798","0.0004","21.3098","0.0004","90","","109.906","0.001","90","","6096.9","0.2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C55 H55 B F24 Ir N O3 P2 -","- C55 H55 B F24 Ir N O3 P2 -","- C220 H220 B4 F96 Ir4 N4 O12 P8 -","4","1","","Jesús Campos; Sabuj Kundu; Dale R. Pahls; Maurice Brookhart; Ernesto Carmona; Thomas R. Cundari","Mechanism of Hydrogenolysis of an Iridium-Methyl Bond: Evidence for a Methane Complex Intermediate","Journal of the American Chemical Society","2013","135","","1217","1220","10.1021/ja310982v","","","0.71073","MoKα","","0.0454","0.0303","","","0.068","0.0779","","","","","","1.059","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119222","12.4339","0.0012","18.1929","0.0018","18.5091","0.0018","90","","90","","90","","4186.9","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 Cl Ni P -","- C22 H34 Cl Ni P -","- C176 H272 Cl8 Ni8 P8 -","8","2","","Thierry León; Arkaitz Correa; Ruben Martin","Ni-Catalyzed Direct Carboxylation of Benzyl Halides with CO2","Journal of the American Chemical Society","2013","135","","1221","1224","10.1021/ja311045f","","","0.71073","MoKα","","0.0728","0.0654","","","0.1519","0.1555","","","","","","1.083","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119223","11.3212","0.0009","6.8505","0.0005","7.3164","0.0005","90","","100.658","0.002","90","","557.64","0.07","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C5 H8 O3 -","- C5 H8 O3 -","- C20 H32 O12 -","4","0.5","","Christopher J. Whiteoak; Nicola Kielland; Victor Laserna; Eduardo C. Escudero-Adán; Eddy Martin; Arjan W. Kleij","A Powerful Aluminum Catalyst for the Synthesis of Highly Functional Organic Carbonates","Journal of the American Chemical Society","2013","135","","1228","1231","10.1021/ja311053h","","","0.71073","MoKα","","0.0366","0.0339","","","0.0972","0.1003","","","","","","1.053","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119224","17.236","0.0019","15.7823","0.0017","19.047","0.002","90","","90","","90","","5181.2","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H20 Al Cl6 N O4 -","- C25 H20 Al Cl6 N O4 -","- C200 H160 Al8 Cl48 N8 O32 -","8","1","","Christopher J. Whiteoak; Nicola Kielland; Victor Laserna; Eduardo C. Escudero-Adán; Eddy Martin; Arjan W. Kleij","A Powerful Aluminum Catalyst for the Synthesis of Highly Functional Organic Carbonates","Journal of the American Chemical Society","2013","135","","1228","1231","10.1021/ja311053h","","","0.71073","MoKα","","0.0404","0.0287","","","0.0663","0.0728","","","","","","1.074","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119225","13.8592","0.0008","11.2345","0.0007","7.5711","0.0005","90","","90","","90","","1178.83","0.13","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","0.5","","Christopher J. Whiteoak; Nicola Kielland; Victor Laserna; Eduardo C. Escudero-Adán; Eddy Martin; Arjan W. Kleij","A Powerful Aluminum Catalyst for the Synthesis of Highly Functional Organic Carbonates","Journal of the American Chemical Society","2013","135","","1228","1231","10.1021/ja311053h","","","0.71073","MoKα","","0.0481","0.0392","","","0.0947","0.0998","","","","","","1.029","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119226","7.8462","0.0007","13.8801","0.0013","16.651","0.0016","90","","90","","90","","1813.4","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Br N2 O4 S -","- C18 H19 Br N2 O4 S -","- C72 H76 Br4 N8 O16 S4 -","4","1","","Feng Chen; Chong Kiat Tan; Ying-Yeung Yeung","C2-Symmetric Cyclic Selenium-Catalyzed Enantioselective Bromoaminocyclization","Journal of the American Chemical Society","2013","135","","1232","1235","10.1021/ja311202e","","","0.71073","MoKα","","0.0279","0.0263","","","0.0676","0.0679","","","","","","1.056","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119227","7.6702","0.0013","11.5801","0.0019","23.557","0.004","90","","94.078","0.004","90","","2087.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Br N2 O4 S -","- C23 H21 Br N2 O4 S -","- C92 H84 Br4 N8 O16 S4 -","4","1","","Feng Chen; Chong Kiat Tan; Ying-Yeung Yeung","C2-Symmetric Cyclic Selenium-Catalyzed Enantioselective Bromoaminocyclization","Journal of the American Chemical Society","2013","135","","1232","1235","10.1021/ja311202e","","","0.71073","MoKα","","0.0461","0.0362","","","0.0895","0.0932","","","","","","1.084","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119228","7.9955","0.0006","14.58","0.001","15.7188","0.0011","90","","93.128","0.002","90","","1829.7","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O5 S -","- C18 H20 N2 O5 S -","- C72 H80 N8 O20 S4 -","4","2","","Feng Chen; Chong Kiat Tan; Ying-Yeung Yeung","C2-Symmetric Cyclic Selenium-Catalyzed Enantioselective Bromoaminocyclization","Journal of the American Chemical Society","2013","135","","1232","1235","10.1021/ja311202e","","","0.71073","MoKα","","0.0387","0.0355","","","0.0881","0.0899","","","","","","1.078","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119229","5.9133","0.0001","11.6063","0.0003","9.9179","0.0002","90","","94.063","0.002","90","","678.97","0.03","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","1","","Xiu-Fen Cheng; Yan Li; Yi-Ming Su; Feng Yin; Jian-Yong Wang; Jie Sheng; Harit U. Vora; Xi-Sheng Wang; Jin-Quan Yu","Pd(II)-Catalyzed Enantioselective C-H Activation/C-O Bond Formation: Synthesis of Chiral Benzofuranones","Journal of the American Chemical Society","2013","135","","1236","1239","10.1021/ja311259x","","","1.54184","CuKα","","0.0313","0.0307","","","0.0983","0.0997","","","","","","1.007","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119230","7.566","0.003","11.733","0.004","13.317","0.004","80.425","0.005","80.943","0.005","86.925","0.005","1150.7","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H30 N4 O4 Si -","- C21 H30 N4 O4 Si -","- C42 H60 N8 O8 Si2 -","2","1","","Xichen Xu; Yu Qian; Peter Y. Zavalij; Michael P. Doyle","Highly Selective Catalyst-Dependent Competitive 1,2-C\ρightarrowC, -O\ρightarrowC, and -N\ρightarrowC Migrations from β-Methylene-β-silyloxy-β-amido-α-diazoacetates","Journal of the American Chemical Society","2013","135","","1244","1247","10.1021/ja311392m","","","0.71073","MoKα","","0.0438","0.0361","","","0.0706","0.0742","","","","","","1","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119231","9.9426","0.0011","12.8835","0.0014","21.6003","0.0024","87.5432","0.0019","89.7648","0.0019","69.3953","0.0018","2587.3","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","QY-0730","QY-0730","","- C27 H34 N2 O4 Si -","- C27 H34 N2 O4 Si -","- C108 H136 N8 O16 Si4 -","4","2","","Xichen Xu; Yu Qian; Peter Y. Zavalij; Michael P. Doyle","Highly Selective Catalyst-Dependent Competitive 1,2-C\ρightarrowC, -O\ρightarrowC, and -N\ρightarrowC Migrations from β-Methylene-β-silyloxy-β-amido-α-diazoacetates","Journal of the American Chemical Society","2013","135","","1244","1247","10.1021/ja311392m","","","0.71073","MoKα","","0.0456","0.0378","","","0.0786","0.0815","","","","","","1","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119232","12.0963","0.0012","12.6843","0.0013","18.312","0.0018","90.5361","0.0016","94.8492","0.0017","102.61","0.0016","2731","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","QY0716","QY0716","","- C27 H33 Br N2 O4 Si -","- C27 H33 Br N2 O4 Si -","- C108 H132 Br4 N8 O16 Si4 -","4","2","","Xichen Xu; Yu Qian; Peter Y. Zavalij; Michael P. Doyle","Highly Selective Catalyst-Dependent Competitive 1,2-C\ρightarrowC, -O\ρightarrowC, and -N\ρightarrowC Migrations from β-Methylene-β-silyloxy-β-amido-α-diazoacetates","Journal of the American Chemical Society","2013","135","","1244","1247","10.1021/ja311392m","","","0.71073","MoKα","","0.0543","0.0338","","","0.0598","0.0634","","","","","","1","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119233","9.3094","0.0008","10.4293","0.0009","13.7248","0.0012","68.6267","0.0013","82.0779","0.0014","64.8939","0.0013","1123.44","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H29 Cl N2 O4 Si -","- C21 H29 Cl N2 O4 Si -","- C42 H58 Cl2 N4 O8 Si2 -","2","1","","Xichen Xu; Yu Qian; Peter Y. Zavalij; Michael P. Doyle","Highly Selective Catalyst-Dependent Competitive 1,2-C\ρightarrowC, -O\ρightarrowC, and -N\ρightarrowC Migrations from β-Methylene-β-silyloxy-β-amido-α-diazoacetates","Journal of the American Chemical Society","2013","135","","1244","1247","10.1021/ja311392m","","","0.71073","MoKα","","0.049","0.0366","","","0.0679","0.0714","","","","","","1","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119234","18.552","0.012","8.272","0.005","8.261","0.005","90","","113.79","0.006","90","","1160","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 O8 P2 Zn -","- C4 H14 O8 P2 Zn -","- C16 H56 O32 P8 Zn4 -","4","0.5","","Kevin J. Gagnon; Christine M. Beavers; Abraham Clearfield","MOFs Under Pressure: The Reversible Compression of a Single Crystal","Journal of the American Chemical Society","2013","135","","1252","1255","10.1021/ja311613p","","","0.6048","synchrotron","","0.0495","0.0411","","","0.1076","0.1136","","","","","","1.038","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119235","18.515","0.004","8.291","0.0019","8.2652","0.0019","90","","113.837","0.002","90","","1160.5","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 O8 P2 Zn -","- C4 H14 O8 P2 Zn -","- C16 H56 O32 P8 Zn4 -","4","0.5","","Kevin J. Gagnon; Christine M. Beavers; Abraham Clearfield","MOFs Under Pressure: The Reversible Compression of a Single Crystal","Journal of the American Chemical Society","2013","135","","1252","1255","10.1021/ja311613p","","","0.6048","synchrotron","","0.0458","0.037","","","0.0917","0.096","","","","","","1.041","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119236","17.9912","0.0019","8","0.002","8.0643","0.0006","90","","117.609","0.006","90","","1028.5","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 O8 P2 Zn -","- C4 H14 O8 P2 Zn -","- C16 H56 O32 P8 Zn4 -","4","0.5","","Kevin J. Gagnon; Christine M. Beavers; Abraham Clearfield","MOFs Under Pressure: The Reversible Compression of a Single Crystal","Journal of the American Chemical Society","2013","135","","1252","1255","10.1021/ja311613p","","","0.6048","synchrotron","","0.045","0.0344","","","0.0789","0.0964","","","","","","1.198","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119237","17.685","0.002","8.147","0.002","7.7557","0.0006","90","","119.697","0.006","90","","970.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 O8 P2 Zn -","- C4 H14 O8 P2 Zn -","- C16 H56 O32 P8 Zn4 -","4","0.5","","Kevin J. Gagnon; Christine M. Beavers; Abraham Clearfield","MOFs Under Pressure: The Reversible Compression of a Single Crystal","Journal of the American Chemical Society","2013","135","","1252","1255","10.1021/ja311613p","","","0.6048","synchrotron","","0.0453","0.0345","","","0.0867","0.1131","","","","","","1.215","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119238","17.1996","0.0018","8.139","0.002","7.4651","0.0006","90","","122.431","0.006","90","","882","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 O8 P2 Zn -","- C4 H14 O8 P2 Zn -","- C16 H56 O32 P8 Zn4 -","4","0.5","","Kevin J. Gagnon; Christine M. Beavers; Abraham Clearfield","MOFs Under Pressure: The Reversible Compression of a Single Crystal","Journal of the American Chemical Society","2013","135","","1252","1255","10.1021/ja311613p","","","0.6048","synchrotron","","0.0639","0.0435","","","0.113","0.137","","","","","","1.118","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119239","17.023","0.002","8.066","0.003","7.4078","0.0008","90","","123.227","0.008","90","","850.8","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 O8 P2 Zn -","- C4 H14 O8 P2 Zn -","- C16 H56 O32 P8 Zn4 -","4","0.5","","Kevin J. Gagnon; Christine M. Beavers; Abraham Clearfield","MOFs Under Pressure: The Reversible Compression of a Single Crystal","Journal of the American Chemical Society","2013","135","","1252","1255","10.1021/ja311613p","","","0.6048","synchrotron","","0.0742","0.0537","","","0.1414","0.158","","","","","","1.13","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119240","9.2086","0.0004","8.8211","0.0004","20.7793","0.001","90","","96.047","0.002","90","","1678.51","0.13","103","2","103","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- As4 H32 Mn2 N8 S16 -","- As4 H32 Mn2 N8 S16 -","- As8 H64 Mn4 N16 S32 -","2","0.5","","Wei-Wei Xiong; Eashwer Umesh Athresh; Yu Ting Ng; Junfeng Ding; Tom Wu; Qichun Zhang","Growing Crystalline Chalcogenidoarsenates in Surfactants: From Zero-Dimensional Cluster to Three-Dimensional Framework","Journal of the American Chemical Society","2013","135","","1256","1259","10.1021/ja3116179","","","0.71073","MoKα","","0.0266","0.021","","","0.0427","0.044","","","","","","1.052","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119241","24.312","0.005","7.9301","0.0016","12.412","0.003","90","","93.21","0.03","90","","2389.2","0.9","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- As2 H26 Mn3 N10 S8 -","- As2 H26 Mn3 N10 S8 -","- As8 H104 Mn12 N40 S32 -","4","0.5","","Wei-Wei Xiong; Eashwer Umesh Athresh; Yu Ting Ng; Junfeng Ding; Tom Wu; Qichun Zhang","Growing Crystalline Chalcogenidoarsenates in Surfactants: From Zero-Dimensional Cluster to Three-Dimensional Framework","Journal of the American Chemical Society","2013","135","","1256","1259","10.1021/ja3116179","","","0.71073","MoKα","","0.0277","0.0247","","","0.0626","0.0637","","","","","","1.001","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119242","6.166","0.002","9.604","0.004","10.79","0.004","78.118","0.006","77.984","0.006","71.816","0.005","586.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H9 As2 Cu3 N2 S5 -","- As2 Cu3 S5 -","- As4 Cu6 S10 -","2","1","","Wei-Wei Xiong; Eashwer Umesh Athresh; Yu Ting Ng; Junfeng Ding; Tom Wu; Qichun Zhang","Growing Crystalline Chalcogenidoarsenates in Surfactants: From Zero-Dimensional Cluster to Three-Dimensional Framework","Journal of the American Chemical Society","2013","135","","1256","1259","10.1021/ja3116179","","","0.71073","MoKα","","0.1064","0.085","","","0.2719","0.3104","","","","","","1.004","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119243","9.1872","0.0004","9.1872","0.0004","10.8539","0.0005","90","","90","","120","","793.38","0.06","93","2","93","2","","","","","","","","5","R 3 :H","R 3","146","","","","- As3 H4 Mn N S6 -","- As3 H4 Mn N S6 -","- As9 H12 Mn3 N3 S18 -","3","0.333333","","Wei-Wei Xiong; Eashwer Umesh Athresh; Yu Ting Ng; Junfeng Ding; Tom Wu; Qichun Zhang","Growing Crystalline Chalcogenidoarsenates in Surfactants: From Zero-Dimensional Cluster to Three-Dimensional Framework","Journal of the American Chemical Society","2013","135","","1256","1259","10.1021/ja3116179","","","0.71073","MoKα","","0.0197","0.0192","","","0.0396","0.0398","","","","","","0.929","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119244","9.4047","0.0005","10.1216","0.0006","10.5171","0.0006","112.703","0.001","107.674","0.001","91.378","0.001","868.53","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 Cl2 Ni P2 -","- C36 H54 Cl2 Ni P2 -","- C36 H54 Cl2 Ni P2 -","1","0.5","","Eric A. Standley; Timothy F. Jamison","Simplifying Nickel(0) Catalysis: An Air-Stable Nickel Precatalyst for the Internally Selective Benzylation of Terminal Alkenes","Journal of the American Chemical Society","2013","135","","1585","1592","10.1021/ja3116718","","","0.71073","MoKα","","0.0302","0.0281","","","0.0726","0.0738","","","","","","1.055","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119245","10.5776","0.0007","12.2542","0.0008","17.3312","0.0011","103.885","0.001","94.529","0.001","113.747","0.001","1956.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H61 Cl Ni P2 -","- C43 H61.006 Cl Ni P2 -","- C86 H122.012 Cl2 Ni2 P4 -","2","1","","Eric A. Standley; Timothy F. Jamison","Simplifying Nickel(0) Catalysis: An Air-Stable Nickel Precatalyst for the Internally Selective Benzylation of Terminal Alkenes","Journal of the American Chemical Society","2013","135","","1585","1592","10.1021/ja3116718","","","0.71073","MoKα","","0.0436","0.0372","","","0.0958","0.1","","","","","","1.046","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119246","24.9942","0.0018","6.4579","0.0005","31.448","0.002","90","","103.432","0.003","90","","4937.2","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","RJP-D206-chiral","toste67","","- C22 H19 F O -","- C22 H19 F O -","- C264 H228 F12 O12 -","12","6","","Robert J. Phipps; F. Dean Toste","Chiral Anion Phase-Transfer Catalysis Applied to the Direct Enantioselective Fluorinative Dearomatization of Phenols","Journal of the American Chemical Society","2013","135","","1268","1271","10.1021/ja311798q","","","1.54178","CuKα","","0.0518","0.0473","","","0.1153","0.1183","","","","","","1.007","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4119247","6.7069","0.0002","16.258","0.0006","18.2761","0.0007","90","","90","","90","","1992.84","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 F2 O2 -","- C26 H22 F2 O2 -","- C104 H88 F8 O8 -","4","1","","Robert J. Phipps; F. Dean Toste","Chiral Anion Phase-Transfer Catalysis Applied to the Direct Enantioselective Fluorinative Dearomatization of Phenols","Journal of the American Chemical Society","2013","135","","1268","1271","10.1021/ja311798q","","","1.54178","CuKα","","0.0315","0.0303","","","0.0809","0.0819","","","","","","1.033","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119248","8.5203","0.0002","9.0253","0.0003","9.8139","0.0003","84.4633","0.0017","86.7504","0.0017","85.1185","0.0016","747.53","0.04","93","2","93","2","","","","","","","","7","P 1","P 1","1","","","","- C30 H43 B Cl F2 N3 O2 -","- C30 H43 B Cl F2 N3 O2 -","- C30 H43 B Cl F2 N3 O2 -","1","1","","Bin Dong; Tsuneaki Sakurai; Yoshihito Honsho; Shu Seki; Hiromitsu Maeda","Cation Modules as Building Blocks Forming Supramolecular Assemblies with Planar Receptor-Anion Complexes","Journal of the American Chemical Society","2013","135","","1284","1287","10.1021/ja312214a","","","1.54187","CuKα","","0.0772","0.0621","","","0.1379","0.1521","","","","","","0.993","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119249","21.1495","0.0004","16.78","0.0003","16.4444","0.0003","90","","114.724","0.0011","90","","5300.97","0.17","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 B Cl F6 N3 O3.5 -","- C24 H30 B Cl F6 N3 O3.5 -","- C192 H240 B8 Cl8 F48 N24 O28 -","8","1","","Bin Dong; Tsuneaki Sakurai; Yoshihito Honsho; Shu Seki; Hiromitsu Maeda","Cation Modules as Building Blocks Forming Supramolecular Assemblies with Planar Receptor-Anion Complexes","Journal of the American Chemical Society","2013","135","","1284","1287","10.1021/ja312214a","","","1.54187","CuKα","","0.0587","0.0486","","","0.1237","0.1318","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119250","16.7881","0.0012","16.8248","0.0011","22.9363","0.0018","91.583","0.004","109.045","0.004","95.431","0.003","6084.6","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H110 K9 N5 O133 Se2 W29 -","- C2 K9.4 N O117.7 Se2 W29 -","- C4 K18.8 N2 O235.4 Se4 W58 -","2","1","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.1152","0.0865","","","0.2162","0.2492","","","","","","1.078","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119251","20.9947","0.0004","23.7936","0.0004","24.411","0.0004","104.343","0.002","107.505","0.002","103.022","0.002","10657.3","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C14 H177 Co2.5 K10 N7 O205 Se3 W42.5 -","- C3.8 Co2.5 K9.4 N5 O183.2 Se3 W42.5 -","- C7.6 Co5 K18.8 N10 O366.4 Se6 W85 -","2","1","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.1226","0.0472","","","0.0938","0.1065","","","","","","0.811","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119252","29.7948","0.0008","42.6071","0.0013","32.5874","0.0009","90","","107.374","0.001","90","","39481","2","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H294.5 Co1.25 K28 N11 O402 Se8 W87 -","- C5.5 Co1.25 K26 N3.5 O361.45 Se8 W87 -","- C22 Co5 K104 N14 O1445.8 Se32 W348 -","4","1","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.0915","0.0564","","","0.1242","0.1493","","","","","","1.098","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119253","23.7964","0.0013","27.8126","0.0016","41.466","0.002","108.952","0.003","104.631","0.003","101.886","0.003","23838","2","150","2","150","2","","","","","","","","10","P -1","-P 1","2","","","","- C34 H472 Cl K23 N17 Na3 Ni2 O480 Se8 W91 -","- C18.5 Cl K14 N11.5 Na1.5 Ni2 O352.2 Se8 W91 -","- C37 Cl2 K28 N23 Na3 Ni4 O704.4 Se16 W182 -","2","1","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.1193","0.0578","","","0.1309","0.1674","","","","","","1.062","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119254","28.6539","0.0004","31.8568","0.0006","37.004","0.0006","81.405","0.001","81.801","0.001","66.601","0.002","30522.8","1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H600 K34 Mn2 N20 O620 Se8 W118 -","- C6.3 K27 Mn2 N4.4 O471.1 Se8 W118 -","- C12.6 K54 Mn4 N8.8 O942.2 Se16 W236 -","2","1","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.1595","0.0587","","","0.1258","0.147","","","","","","0.855","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119255","24.2248","0.0009","34.0703","0.0013","38.6487","0.0014","74.287","0.002","77.327","0.002","72.61","0.002","28968.3","1.9","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C38 H510 Co2 K39 N19 Na0 O580 Se8 W118 -","- C2.5 Co2 K29.7 N3 O447.1 Se8 W118 -","- C5 Co4 K59.4 N6 O894.2 Se16 W236 -","2","1","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.1347","0.0994","","","0.2153","0.2384","","","","","","1.2","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119256","24.2094","0.0005","34.0606","0.0008","38.6461","0.0008","74.288","0.001","77.319","0.001","72.362","0.001","28904.2","1.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H513 K36 N19 Ni2 O580 Se8 W118 -","- C13.7 K28.45 N8 Ni2 O472.05 Se8 W118.01 -","- C27.4 K56.9 N16 Ni4 O944.1 Se16 W236.02 -","2","1","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.1373","0.0593","","","0.1364","0.1856","","","","","","1.059","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119257","24.2676","0.0007","34.0705","0.001","38.7161","0.0011","74.163","0.002","77.371","0.002","72.63","0.002","29061.6","1.5","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C39.5 H521 K36 N19 O580 Se8 W118 Zn2 -","- C9.9 K28.05 N8 O472.4 Se8 W118 Zn2 -","- C19.8 K56.1 N16 O944.8 Se16 W236 Zn4 -","2","1","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.1306","0.063","","","0.1464","0.2019","","","","","","1.155","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119258","24.2441","0.0008","33.9935","0.0011","38.6904","0.0013","74.306","0.002","77.339","0.002","72.883","0.002","28998.4","1.7","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H514 Cu2 K34 N18 O586 Se8 W119 -","- C13.3 Cu2 K26.1 N10.9 O486.1 Se8 W119 -","- C26.6 Cu4 K52.2 N21.8 O972.2 Se16 W238 -","2","1","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.1083","0.0607","","","0.1336","0.1596","","","","","","1.062","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119259","46.5979","0.0008","46.5979","0.0008","35.8791","0.0011","90","","90","","120","","67469","3","150","2","150","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C18 H616 Cl3 Cu9 K90 N9 O876 Se12 W174 -","- C3 Cl3 Cu9 K63.9 N3 O850.6 Se12 W174 -","- C9 Cl9 Cu27 K191.7 N9 O2551.8 Se36 W522 -","3","0.166667","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.0486","0.0322","","","0.0702","0.0725","","","","","","1.02","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119260","26.7648","0.001","35.311","0.0016","32.0625","0.0012","90","","102.325","0.002","90","","29604","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H226 K26 O314 Se4 W60 -","- K16.4 O277.3 Se4 W60 -","- K65.6 O1109.2 Se16 W240 -","4","1","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.0629","0.0396","","","0.0935","0.1068","","","","","","1.043","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119261","6.7622","0.0001","12.0974","0.0002","15.0929","0.0003","77.438","0.001","80.812","0.001","78.147","0.001","1170.84","0.04","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N2 S3 -","- C26 H32 N2 S3 -","- C52 H64 N4 S6 -","2","1","","Andrew C. Stuart; John R. Tumbleston; Huaxing Zhou; Wentao Li; Shubin Liu; Harald Ade; Wei You","Fluorine Substituents Reduce Charge Recombination and Drive Structure and Morphology Development in Polymer Solar Cells","Journal of the American Chemical Society","2013","135","","1806","1815","10.1021/ja309289u","","","1.54178","CuKα","","0.0367","0.0328","","","0.0847","0.0878","","","","","","1.03","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119262","37.236","0.002","5.115","0.0005","27.5448","0.0018","90","","113.622","0.004","90","","4806.7","0.6","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H33 F N2 S3 -","- C26 H33 F N2 S3 -","- C208 H264 F8 N16 S24 -","8","1","","Andrew C. Stuart; John R. Tumbleston; Huaxing Zhou; Wentao Li; Shubin Liu; Harald Ade; Wei You","Fluorine Substituents Reduce Charge Recombination and Drive Structure and Morphology Development in Polymer Solar Cells","Journal of the American Chemical Society","2013","135","","1806","1815","10.1021/ja309289u","","","1.54178","CuKα","","0.131","0.0655","","","0.1429","0.1734","","","","","","0.948","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119263","15.6165","0.0006","4.8797","0.0002","16.5462","0.0007","90","","100.974","0.003","90","","1237.83","0.09","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 F2 N2 S3 -","- C26 H30 F2 N2 S3 -","- C52 H60 F4 N4 S6 -","2","0.5","","Andrew C. Stuart; John R. Tumbleston; Huaxing Zhou; Wentao Li; Shubin Liu; Harald Ade; Wei You","Fluorine Substituents Reduce Charge Recombination and Drive Structure and Morphology Development in Polymer Solar Cells","Journal of the American Chemical Society","2013","135","","1806","1815","10.1021/ja309289u","","","1.54178","CuKα","","0.0671","0.0499","","","0.1219","0.1307","","","","","","1.059","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119264","13.5053","0.0002","15.0706","0.0002","15.8304","0.0003","89.677","0.001","75.827","0.001","74.276","0.001","3000.66","0.09","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H53 Cl4 N5 O8 Zn -","- C69 H53 Cl4 N5 O8 Zn -","- C138 H106 Cl8 N10 O16 Zn2 -","2","1","","Harry Adams; Elena Chekmeneva; Christopher A. Hunter; Maria Cristina Misuraca; Cristina Navarro; Simon M. Turega","Quantification of the Effect of Conformational Restriction on Supramolecular Effective Molarities","Journal of the American Chemical Society","2013","135","","1853","1863","10.1021/ja310221t","","","0.71073","MoKα","","0.1168","0.0839","","","0.1797","0.2009","","","","","","1.085","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119265","8.1356","0.0001","24.0863","0.0004","14.2335","0.0002","90","","100.981","0.001","90","","2738.08","0.07","193","2","193","2","","","","","","","chemical synthesis","6","P 1 21 1","P 2yb","4","MPL-X-119#2","(4S,12bS)-4-(4-Bromophenyl)-12-tosyl-1,3,4,6,7,12b-hexahydro- indolo[2,3-a]quinolizin-2(12H)-one Hemi(benzene) Solvate","","- C31 H28 Br N2 O3 S -","- C31 H28 Br N2 O3 S -","- C124 H112 Br4 N8 O12 S4 -","4","2","","Mathieu P. Lalonde; Meredeth A. McGowan; Naomi S. Rajapaksa; Eric N. Jacobsen","Enantioselective Formal Aza-Diels-Alder Reactions of Enones with Cyclic Imines Catalyzed by Primary Aminothioureas","Journal of the American Chemical Society","2013","135","","1891","1894","10.1021/ja310718f","","","0.71073","MoKα","","0.0592","0.0417","","","0.0884","0.0959","","","","","","1","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119266","8.7374","0.0001","9.172","0.0001","30.6914","0.0004","90","","90","","90","","2459.59","0.05","193","2","193","2","","","","","","","chemical synthesis","6","P 21 21 21","P 2ac 2ab","19","MPL-X-119#1","(4<i>R</i>,12b<i>S</i>)-4-(4-Bromophenyl)-12-tosyl-1,3,4,6,7,12b- hexahydro-indolo[2,3-<i>a</i>]quinolizin-2(12<i>H</i>)-one","","- C28 H25 Br N2 O3 S -","- C28 H25 Br N2 O3 S -","- C112 H100 Br4 N8 O12 S4 -","4","1","","Mathieu P. Lalonde; Meredeth A. McGowan; Naomi S. Rajapaksa; Eric N. Jacobsen","Enantioselective Formal Aza-Diels-Alder Reactions of Enones with Cyclic Imines Catalyzed by Primary Aminothioureas","Journal of the American Chemical Society","2013","135","","1891","1894","10.1021/ja310718f","","","0.71073","MoKα","","0.0521","0.0354","","","0.077","0.0835","","","","","","1.017","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119267","15.4783","0.0003","14.6562","0.0003","27.0866","0.0005","90","","122.281","0.001","90","","5194.95","0.18","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 B2 F8 N10 O2 Ru -","- C46 H44 B2 F8 N10 O2 Ru -","- C184 H176 B8 F32 N40 O8 Ru4 -","4","1","","Douglas G. Brown; Phil A. Schauer; Javier Borau-Garcia; Brandon R. Fancy; Curtis P. Berlinguette","Stabilization of Ruthenium Sensitizers to TiO2 Surfaces through Cooperative Anchoring Groups","Journal of the American Chemical Society","2013","135","","1692","1695","10.1021/ja310965h","","","0.71073","MoKα","","0.0806","0.0659","","","0.1643","0.1738","","","","","","1.112","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119268","13.0493","0.0002","18.9726","0.0004","23.3282","0.0005","90","","106.611","0.001","90","","5534.55","0.19","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 B2 F8 N10 O6 P2 Ru -","- C50 H56 B2 F8 N10 O6 P2 Ru -","- C200 H224 B8 F32 N40 O24 P8 Ru4 -","4","1","","Douglas G. Brown; Phil A. Schauer; Javier Borau-Garcia; Brandon R. Fancy; Curtis P. Berlinguette","Stabilization of Ruthenium Sensitizers to TiO2 Surfaces through Cooperative Anchoring Groups","Journal of the American Chemical Society","2013","135","","1692","1695","10.1021/ja310965h","","","0.71073","MoKα","","0.0841","0.0664","","","0.1621","0.1756","","","","","","1.083","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119269","17.6552","0.0004","16.7076","0.0006","21.9443","0.0002","90","","107.569","0.002","90","","6171.1","0.3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52 H58 B2 F8 N10 O8 P2 Ru -","- C52 H58 B2 F8 N10 O8 P2 Ru -","- C208 H232 B8 F32 N40 O32 P8 Ru4 -","4","0.5","","Douglas G. Brown; Phil A. Schauer; Javier Borau-Garcia; Brandon R. Fancy; Curtis P. Berlinguette","Stabilization of Ruthenium Sensitizers to TiO2 Surfaces through Cooperative Anchoring Groups","Journal of the American Chemical Society","2013","135","","1692","1695","10.1021/ja310965h","","","0.71073","MoKα","","0.0886","0.0789","","","0.2094","0.2189","","","","","","1.057","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119270","8.3848","0.0002","11.5802","0.0004","14.6971","0.0004","86.343","0.001","84.661","0.001","71.837","0.001","1349.15","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H24 B2 N4 -","- C10 H24 B2 N4 -","- C40 H96 B8 N16 -","4","2","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Sundargopal Ghosh; Thomas Kramer; Bernd Pfaffinger; Krzysztof Radacki; Alfredo Vargas","Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity","Journal of the American Chemical Society","2013","135","","1903","1911","10.1021/ja3110126","","","0.71073","MoKα","","0.0408","0.035","","","0.0955","0.0999","","","","","","1.047","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119271","8.308","0.0005","9.4176","0.0006","13.338","0.0008","94.437","0.002","96.989","0.003","92.319","0.002","1031.41","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 B N Si2 -","- C20 H28 B N Si2 -","- C40 H56 B2 N2 Si4 -","2","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Sundargopal Ghosh; Thomas Kramer; Bernd Pfaffinger; Krzysztof Radacki; Alfredo Vargas","Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity","Journal of the American Chemical Society","2013","135","","1903","1911","10.1021/ja3110126","","","0.71073","MoKα","","0.041","0.0372","","","0.0922","0.0941","","","","","","1.125","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119272","12.7499","0.0007","8.977","0.0005","24.3871","0.0013","90","","94.498","0.002","90","","2782.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H43 B2 N5 Si2 -","- C23 H43 B2 N5 Si2 -","- C92 H172 B8 N20 Si8 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Sundargopal Ghosh; Thomas Kramer; Bernd Pfaffinger; Krzysztof Radacki; Alfredo Vargas","Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity","Journal of the American Chemical Society","2013","135","","1903","1911","10.1021/ja3110126","","","0.71073","MoKα","","0.0403","0.0357","","","0.0929","0.0976","","","","","","1.032","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119273","27.347","0.004","9.5289","0.0014","20.081","0.003","90","","104.863","0.007","90","","5057.8","1.3","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H42 B3 N5 Si2 -","- C16 H42 B3 N5 Si2 -","- C128 H336 B24 N40 Si16 -","8","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Sundargopal Ghosh; Thomas Kramer; Bernd Pfaffinger; Krzysztof Radacki; Alfredo Vargas","Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity","Journal of the American Chemical Society","2013","135","","1903","1911","10.1021/ja3110126","","","0.71073","MoKα","","0.0506","0.0434","","","0.1152","0.1232","","","","","","1.067","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119274","10.9744","0.0008","11.7456","0.0009","13.8486","0.0011","78.514","0.004","72.072","0.003","76.311","0.003","1634.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H45 B N2 -","- C40 H45 B N2 -","- C80 H90 B2 N4 -","2","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Sundargopal Ghosh; Thomas Kramer; Bernd Pfaffinger; Krzysztof Radacki; Alfredo Vargas","Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity","Journal of the American Chemical Society","2013","135","","1903","1911","10.1021/ja3110126","","","0.71073","MoKα","","0.0654","0.0533","","","0.141","0.1475","","","","","","1.067","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119275","19.44","0.0011","7.7986","0.0004","16.3633","0.0009","90","","110.116","0.003","90","","2329.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H35 B2 N3 Si2 -","- C18 H35 B2 N3 Si2 -","- C72 H140 B8 N12 Si8 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Sundargopal Ghosh; Thomas Kramer; Bernd Pfaffinger; Krzysztof Radacki; Alfredo Vargas","Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity","Journal of the American Chemical Society","2013","135","","1903","1911","10.1021/ja3110126","","","0.71073","MoKα","","0.0996","0.0502","","","0.1104","0.1295","","","","","","1.007","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119276","10.7942","0.0007","11.752","0.0007","11.9824","0.0007","104.257","0.0032","94.752","0.0031","91.137","0.0033","1466.85","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H47 B2 N5 Si3 -","- C20 H47 B2 N5 Si3 -","- C40 H94 B4 N10 Si6 -","2","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Sundargopal Ghosh; Thomas Kramer; Bernd Pfaffinger; Krzysztof Radacki; Alfredo Vargas","Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity","Journal of the American Chemical Society","2013","135","","1903","1911","10.1021/ja3110126","","","0.71073","MoKα","","0.0683","0.0528","","","0.1374","0.1484","","","","","","1.028","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119277","8.8762","0.0004","11.8267","0.0006","15.1722","0.0008","85.547","0.002","77.086","0.002","80.498","0.002","1529.76","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H41 B N2 -","- C37 H41 B N2 -","- C74 H82 B2 N4 -","2","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Sundargopal Ghosh; Thomas Kramer; Bernd Pfaffinger; Krzysztof Radacki; Alfredo Vargas","Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity","Journal of the American Chemical Society","2013","135","","1903","1911","10.1021/ja3110126","","","0.71073","MoKα","","0.0525","0.0437","","","0.1158","0.1241","","","","","","1.027","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119278","16.0641","0.0012","11.2963","0.0009","16.6406","0.0014","90","","90.811","0.003","90","","3019.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H50 B3 N7 Si2 -","- C21 H50 B3 N7 Si2 -","- C84 H200 B12 N28 Si8 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Sundargopal Ghosh; Thomas Kramer; Bernd Pfaffinger; Krzysztof Radacki; Alfredo Vargas","Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity","Journal of the American Chemical Society","2013","135","","1903","1911","10.1021/ja3110126","","","0.71073","MoKα","","0.0471","0.0368","","","0.0944","0.1004","","","","","","1.041","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119279","17.0113","0.0009","17.0113","0.0009","17.0113","0.0009","90","","90","","90","","4922.8","0.5","100","2","100","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ba16 Cs8 Ga39.7 Sn96.3 -","- Ba16 Cs8 Ga39.488 Sn96.512 -","- Ba16 Cs8 Ga39.488 Sn96.512 -","1","0.00520833","","Marion C. Schäfer; Svilen Bobev","Tin Clathrates with the Type II Structure","Journal of the American Chemical Society","2013","135","","1696","1699","10.1021/ja3112934","","","0.71073","MoKα","","0.0161","0.0131","","","0.028","0.0286","","","","","","1.143","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119280","17.0145","0.0006","17.0145","0.0006","17.0145","0.0006","90","","90","","90","","4925.6","0.3","150","2","150","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ba16 Cs8 Ga39.7 Sn96.3 -","- Ba16 Cs8 Ga40 Sn96 -","- Ba16 Cs8 Ga40 Sn96 -","1","0.00520833","","Marion C. Schäfer; Svilen Bobev","Tin Clathrates with the Type II Structure","Journal of the American Chemical Society","2013","135","","1696","1699","10.1021/ja3112934","","","0.71073","MoKα","","0.0197","0.0176","","","0.034","0.0351","","","","","","1.225","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119281","17.0283","0.0005","17.0283","0.0005","17.0283","0.0005","90","","90","","90","","4937.6","0.3","200","2","200","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ba16 Cs8 Ga39.7 Sn96.3 -","- Ba16 Cs8 Ga39.856 Sn96.144 -","- Ba16 Cs8 Ga39.856 Sn96.144 -","1","0.00520833","","Marion C. Schäfer; Svilen Bobev","Tin Clathrates with the Type II Structure","Journal of the American Chemical Society","2013","135","","1696","1699","10.1021/ja3112934","","","0.71073","MoKα","","0.0189","0.0163","","","0.0315","0.0325","","","","","","1.261","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119282","17.0347","0.0006","17.0347","0.0006","17.0347","0.0006","90","","90","","90","","4943.1","0.3","250","2","250","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ba16 Cs8 Ga39.7 Sn96.3 -","- Ba16 Cs8 Ga39.616 Sn96.384 -","- Ba16 Cs8 Ga39.616 Sn96.384 -","1","0.00520833","","Marion C. Schäfer; Svilen Bobev","Tin Clathrates with the Type II Structure","Journal of the American Chemical Society","2013","135","","1696","1699","10.1021/ja3112934","","","0.71073","MoKα","","0.0189","0.0149","","","0.0346","0.0357","","","","","","1.117","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119283","17.0367","0.0005","17.0367","0.0005","17.0367","0.0005","90","","90","","90","","4944.9","0.3","200","2","200","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ba13.3 Ga36.4 Rb9.9 Sn99.6 -","- Ba13.28 Ga36.64 Rb9.44 Sn99.36 -","- Ba13.28 Ga36.64 Rb9.44 Sn99.36 -","1","0.00520833","","Marion C. Schäfer; Svilen Bobev","Tin Clathrates with the Type II Structure","Journal of the American Chemical Society","2013","135","","1696","1699","10.1021/ja3112934","","","0.71073","MoKα","","0.0194","0.0157","","","0.0393","0.0403","","","","","","1.19","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119284","17.0136","0.0009","17.0136","0.0009","17.0136","0.0009","90","","90","","90","","4924.8","0.5","100","2","100","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ba14 Ga30.4 K2 Sn105.6 -","- Ba14.016 Ga30.4 K1.984 Sn105.6 -","- Ba14.016 Ga30.4 K1.984 Sn105.6 -","1","0.00520833","","Marion C. Schäfer; Svilen Bobev","Tin Clathrates with the Type II Structure","Journal of the American Chemical Society","2013","135","","1696","1699","10.1021/ja3112934","","","0.71073","MoKα","","0.0256","0.0246","","","0.0904","0.0909","","","","","","1.376","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119285","17.0235","0.0008","17.0235","0.0008","17.0235","0.0008","90","","90","","90","","4933.4","0.4","423","2","423","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ba14 Ga30.4 K2 Sn105.6 -","- Ba13.952 Ga30.4 K2.048 Sn105.6 -","- Ba13.952 Ga30.4 K2.048 Sn105.6 -","1","0.00520833","","Marion C. Schäfer; Svilen Bobev","Tin Clathrates with the Type II Structure","Journal of the American Chemical Society","2013","135","","1696","1699","10.1021/ja3112934","","","0.71073","MoKα","","0.0256","0.0246","","","0.0869","0.0873","","","","","","1.267","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119286","17.0292","0.0006","17.0292","0.0006","17.0292","0.0006","90","","90","","90","","4938.4","0.3","200","2","200","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ba15 Ga30.4 K2 Sn105.6 -","- Ba14.032 Ga30.32 K1.968 Sn105.68 -","- Ba14.032 Ga30.32 K1.968 Sn105.68 -","1","0.00520833","","Marion C. Schäfer; Svilen Bobev","Tin Clathrates with the Type II Structure","Journal of the American Chemical Society","2013","135","","1696","1699","10.1021/ja3112934","","","0.71073","MoKα","","0.0271","0.0259","","","0.091","0.0918","","","","","","1.326","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119287","17.049","0.003","17.049","0.003","17.049","0.003","90","","90","","90","","4955.6","1.5","250","2","250","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ba14 Ga30.4 K2 Sn105.6 -","- Ba13.936 Ga30.32 K2.064 Sn105.68 -","- Ba13.936 Ga30.32 K2.064 Sn105.68 -","1","0.00520833","","Marion C. Schäfer; Svilen Bobev","Tin Clathrates with the Type II Structure","Journal of the American Chemical Society","2013","135","","1696","1699","10.1021/ja3112934","","","0.71073","MoKα","","0.0264","0.0247","","","0.0895","0.0901","","","","","","1.354","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119288","16.9963","0.0015","16.9963","0.0015","16.9963","0.0015","90","","90","","90","","4909.8","0.8","200","2","200","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ba16 Ga32.1 Na0 Sn103.9 -","- Ba16 Ga32.08 Sn103.92 -","- Ba16 Ga32.08 Sn103.92 -","1","0.00520833","","Marion C. Schäfer; Svilen Bobev","Tin Clathrates with the Type II Structure","Journal of the American Chemical Society","2013","135","","1696","1699","10.1021/ja3112934","","","0.71073","MoKα","","0.038","0.035","","","0.086","0.0884","","","","","","1.156","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119289","10.2033","0.0009","12.0862","0.0011","14.9782","0.0014","90.727","0.007","106.403","0.007","96.001","0.007","1760.5","0.3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H102 Fe2 N13 O2 S2 -","- C72 H102 Fe2 N13 O2 S2 -","- C72 H102 Fe2 N13 O2 S2 -","1","0.5","","Antonia Albers; Serhiy Demeshko; Kevin Pröpper; Sebastian Dechert; Eckhard Bill; Franc Meyer","A Super-Reduced Diferrous [2Fe-2S] Cluster","Journal of the American Chemical Society","2013","135","","1704","1707","10.1021/ja311563y","","","0.71073","MoKα","","0.1078","0.0722","","","0.1445","0.1569","","","","","","1.146","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119290","19.1325","0.0012","32.261","0.002","14.0926","0.001","90","","104.271","0.003","90","","8430","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82.88 H127.6 Fe2 N14.95 O2.96 S2 -","- C82.868 H127.576 Fe2 N14.956 O2.956 S2 -","- C331.472 H510.304 Fe8 N59.824 O11.824 S8 -","4","0.5","","Antonia Albers; Serhiy Demeshko; Kevin Pröpper; Sebastian Dechert; Eckhard Bill; Franc Meyer","A Super-Reduced Diferrous [2Fe-2S] Cluster","Journal of the American Chemical Society","2013","135","","1704","1707","10.1021/ja311563y","","","1.54178","CuKα","","0.0692","0.0655","","","0.1811","0.1844","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119291","10.8043","0.0011","11.5139","0.0011","21.738","0.002","91.92","0.003","100.799","0.003","99.856","0.004","2611.1","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H98 Ni2 P4 -","- C52.006 H98.011 Ni2 P4.001 -","- C104.012 H196.022 Ni4 P8.002 -","2","1","","Josep Cornella; Enrique Gómez-Bengoa; Ruben Martin","Combined Experimental and Theoretical Study on the Reductive Cleavage of Inert C-O Bonds with Silanes: Ruling out a Classical Ni(0)/Ni(II) Catalytic Couple and Evidence for Ni(I) Intermediates","Journal of the American Chemical Society","2013","135","","1997","2009","10.1021/ja311940s","","","0.71073","MoKα","","0.0628","0.0398","","","0.0786","0.0866","","","","","","1.027","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119292","9.438","0.003","10.735","0.003","13.576","0.004","88.462","0.011","85.951","0.011","86.21","0.011","1368.7","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H94 Ni2 O2 P2 -","- C61.1 H94.24 Ni2 O2 P2 -","- C61.1 H94.24 Ni2 O2 P2 -","1","0.5","","Josep Cornella; Enrique Gómez-Bengoa; Ruben Martin","Combined Experimental and Theoretical Study on the Reductive Cleavage of Inert C-O Bonds with Silanes: Ruling out a Classical Ni(0)/Ni(II) Catalytic Couple and Evidence for Ni(I) Intermediates","Journal of the American Chemical Society","2013","135","","1997","2009","10.1021/ja311940s","","","0.71073","MoKα","","0.1502","0.0646","","","0.0892","0.1111","","","","","","0.952","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119293","9.655","0.004","9.761","0.004","22.161","0.01","87.116","0.017","86.4","0.02","60.58","0.012","1815.1","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H70 Ni O P2 -","- C38 H70 Ni O P2 -","- C76 H140 Ni2 O2 P4 -","2","1","","Josep Cornella; Enrique Gómez-Bengoa; Ruben Martin","Combined Experimental and Theoretical Study on the Reductive Cleavage of Inert C-O Bonds with Silanes: Ruling out a Classical Ni(0)/Ni(II) Catalytic Couple and Evidence for Ni(I) Intermediates","Journal of the American Chemical Society","2013","135","","1997","2009","10.1021/ja311940s","","","0.71073","MoKα","","0.0981","0.066","","","0.1582","0.174","","","","","","1.085","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119294","9.8868","0.0007","15.7737","0.0011","23.2598","0.0017","90","","95.368","0.002","90","","3611.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H66 Ni O P2 -","- C37 H66 Ni O P2 -","- C148 H264 Ni4 O4 P8 -","4","1","","Josep Cornella; Enrique Gómez-Bengoa; Ruben Martin","Combined Experimental and Theoretical Study on the Reductive Cleavage of Inert C-O Bonds with Silanes: Ruling out a Classical Ni(0)/Ni(II) Catalytic Couple and Evidence for Ni(I) Intermediates","Journal of the American Chemical Society","2013","135","","1997","2009","10.1021/ja311940s","","","0.71073","MoKα","","0.0904","0.0483","","","0.0955","0.1092","","","","","","1.015","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119295","22.202","0.006","10.251","0.003","19.971","0.006","90","","109.863","0.011","90","","4275","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H73 Cl Ni P2 -","- C46 H73 Cl Ni P2 -","- C184 H292 Cl4 Ni4 P8 -","4","1","","Josep Cornella; Enrique Gómez-Bengoa; Ruben Martin","Combined Experimental and Theoretical Study on the Reductive Cleavage of Inert C-O Bonds with Silanes: Ruling out a Classical Ni(0)/Ni(II) Catalytic Couple and Evidence for Ni(I) Intermediates","Journal of the American Chemical Society","2013","135","","1997","2009","10.1021/ja311940s","","","0.71073","MoKα","","0.0977","0.0518","","","0.1027","0.1159","","","","","","1.06","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119296","8.5829","0.0008","10.7976","0.0011","12.1925","0.0011","90","","90","","90","","1129.94","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Cr O3 -","- C13 H10 Cr O3 -","- C52 H40 Cr4 O12 -","4","1","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71073","MoKα","","0.0641","0.0425","","","0.082","0.0888","","","","","","1.017","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119297","11.3772","0.0011","7.8567","0.0008","19.3845","0.0014","90","","122.805","0.004","90","","1456.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cr O3 Pd -","- C16 H14 Cr O3 Pd -","- C64 H56 Cr4 O12 Pd4 -","4","1","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71073","MoKα","","0.0658","0.0407","","","0.0897","0.1003","","","","","","1.052","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119298","11.887","0.0006","7.8928","0.0004","18.9704","0.0007","90","","124.807","0.002","90","","1461.39","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cr O3 Pd -","- C16 H14 Cr O3 Pd -","- C64 H56 Cr4 O12 Pd4 -","4","1","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71073","MoKα","","0.044","0.0266","","","0.0551","0.0592","","","","","","0.996","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119299","9.4974","0.0012","10.1697","0.0013","11.2987","0.0015","81.698","0.003","85.039","0.003","85.655","0.002","1073.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Cr O3 Pd -","- C24 H24 Cr O3 Pd -","- C48 H48 Cr2 O6 Pd2 -","2","1","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71073","MoKα","","0.0675","0.0387","","","0.0772","0.0858","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119300","17.4301","0.0014","6.2255","0.0004","17.161","0.0011","90","","93.217","0.002","90","","1859.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cr O3 Pd -","- C22 H18 Cr O3 Pd -","- C88 H72 Cr4 O12 Pd4 -","4","1","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71073","MoKα","","0.1228","0.082","","","0.1603","0.1766","","","","","","1.158","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119301","12.2434","0.0004","10.1444","0.0003","13.4031","0.0004","90","","120.876","0.002","90","","1428.77","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cr O3 -","- C16 H14 Cr O3 -","- C64 H56 Cr4 O12 -","4","1","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71073","MoKα","","0.0366","0.0283","","","0.0731","0.0808","","","","","","1.066","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119302","17.686","0.001","6.539","0.001","19.146","0.001","90","","91.351","0.001","90","","2213.6","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cr2 O6 -","- C26 H18 Cr2 O6 -","- C104 H72 Cr8 O24 -","4","0.5","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71069","MoKα","","0.0581","0.0462","","","0.1068","0.1167","","","","","","1.104","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119303","8.6801","0.0004","13.3358","0.0007","13.546","0.0005","90","","116.027","0.002","90","","1409.01","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cr O3 -","- C16 H14 Cr O3 -","- C64 H56 Cr4 O12 -","4","1","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71073","MoKα","","0.0551","0.0404","","","0.0906","0.1019","","","","","","1.137","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119304","8.5384","0.0002","13.8731","0.0005","13.9991","0.0004","90","","113.786","0.001","90","","1517.4","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cr O3 -","- C17 H16 Cr O3 -","- C68 H64 Cr4 O12 -","4","1","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71073","MoKα","","0.0521","0.0365","","","0.0914","0.0987","","","","","","1.067","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119305","16.3561","0.0004","7.2648","0.0002","15.5762","0.0004","90","","102.821","0.002","90","","1804.68","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cr O3 -","- C22 H18 Cr O3 -","- C88 H72 Cr4 O12 -","4","1","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71073","MoKα","","0.0666","0.0412","","","0.0962","0.1064","","","","","","1.01","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119306","23.165","0.001","7.513","0.001","13.761","0.001","90","","103.936","0.001","90","","2324.5","0.4","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cr2 O6 -","- C26 H18 Cr2 O6 -","- C104 H72 Cr8 O24 -","4","0.5","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71069","MoKα","","0.0416","0.0367","","","0.0913","0.0954","","","","","","1.09","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119307","13.5032","0.0004","14.9415","0.0005","17.9245","0.0006","96.497","0.002","107.341","0.002","103.535","0.002","3290.33","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H96 Mo2 N2 O12 S4 -","- C60 H96 Mo2 N2 O12 S4 -","- C120 H192 Mo4 N4 O24 S8 -","2","1","","Luke A. Wilkinson; Laura McNeill; Anthony J. H. M. Meijer; Nathan J. Patmore","Mixed Valency in Hydrogen Bonded 'Dimers of Dimers'","Journal of the American Chemical Society","2013","135","","1723","1726","10.1021/ja312176x","","","0.71073","MoKα","","0.1279","0.0674","","","0.1625","0.2072","","","","","","1.033","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119308","11.7619","0.0011","14.1426","0.0013","14.8459","0.0013","93.888","0.003","103.095","0.003","93.82","0.003","2391.2","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H118 F6 Mo4 N4 O18 -","- C92 H118 F6 Mo4 N4 O18 -","- C92 H118 F6 Mo4 N4 O18 -","1","0.5","","Luke A. Wilkinson; Laura McNeill; Anthony J. H. M. Meijer; Nathan J. Patmore","Mixed Valency in Hydrogen Bonded 'Dimers of Dimers'","Journal of the American Chemical Society","2013","135","","1723","1726","10.1021/ja312176x","","","0.71073","MoKα","","0.1597","0.0734","","","0.1707","0.2113","","","","","","0.99","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119309","11.497","0.005","13.961","0.006","16.959","0.007","106.591","0.005","98.874","0.004","109.146","0.005","2370.3","1.8","123","2","123","2","","","","","","","","4","P -1","-P 1","2","thiophene-fused bisdehydro[12]annulene","tetrakis[5-(t-butyldimethylsilyl)thieno]bisdehydro[12]annulene","","- C44 H64 S4 Si4 -","- C44 H64 S4 Si4 -","- C88 H128 S8 Si8 -","2","1","","Aiko Fukazawa; Hiroya Oshima; Yoshihito Shiota; Shouya Takahashi; Kazunari Yoshizawa; Shigehiro Yamaguchi","Thiophene-Fused Bisdehydro[12]annulene That Undergoes Transannular Alkyne Cycloaddition by Either Light or Heat","Journal of the American Chemical Society","2013","135","","1731","1734","10.1021/ja3126849","","","0.7107","MoKα","","0.0981","0.0718","","","0.1329","0.1476","","","","","","1.104","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119310","10.6334","0.0014","10.7115","0.0018","12.35","0.002","84.873","0.014","65.04","0.01","64.838","0.01","1147.3","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","thiophene-fused biphenylene","tetrakis[(t-butyldimethylsilyl)thieno]biphenylene","","- C44 H64 S4 Si4 -","- C44 H64 S4 Si4 -","- C44 H64 S4 Si4 -","1","0.5","","Aiko Fukazawa; Hiroya Oshima; Yoshihito Shiota; Shouya Takahashi; Kazunari Yoshizawa; Shigehiro Yamaguchi","Thiophene-Fused Bisdehydro[12]annulene That Undergoes Transannular Alkyne Cycloaddition by Either Light or Heat","Journal of the American Chemical Society","2013","135","","1731","1734","10.1021/ja3126849","","","0.7107","MoKα","","0.0609","0.0453","","","0.0996","0.108","","","","","","1.07","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119311","28.3177","0.0016","28.3177","0.0016","10.7605","0.0006","90","","90","","90","","8628.8","0.8","120","2","120","2","","","","","","","","7","P 42/n","-P 4bc","86","","","","- C45 H39 Cl2 F6 N P2 Ru -","- C45 H39 Cl2 F6 N P2 Ru -","- C360 H312 Cl16 F48 N8 P16 Ru8 -","8","","","David G. Johnson; Jason M. Lynam; Neetisha S. Mistry; John M. Slattery; Robert J. Thatcher; Adrian C. Whitwood","Ruthenium-Mediated C-H Functionalization of Pyridine: The Role of Vinylidene and Pyridylidene Ligands","Journal of the American Chemical Society","2013","135","","2222","2234","10.1021/ja3097256","","","0.71073","MoKα","","0.1411","0.0981","","","0.1949","0.2139","","","","","","1.047","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119312","9.2663","0.0014","10.8938","0.0017","18.206","0.003","106.655","0.003","98.593","0.003","101.394","0.003","1684","0.5","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H32 Cl2 F6 N2 P2 Ru -","- C34 H32 Cl2 F6 N2 P2 Ru -","- C68 H64 Cl4 F12 N4 P4 Ru2 -","2","1","","David G. Johnson; Jason M. Lynam; Neetisha S. Mistry; John M. Slattery; Robert J. Thatcher; Adrian C. Whitwood","Ruthenium-Mediated C-H Functionalization of Pyridine: The Role of Vinylidene and Pyridylidene Ligands","Journal of the American Chemical Society","2013","135","","2222","2234","10.1021/ja3097256","","","0.71073","MoKα","","0.0479","0.0369","","","0.0818","0.0876","","","","","","1.05","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119313","11.314","0.0006","12.9363","0.0007","13.8288","0.0007","78.905","0.001","66.394","0.001","70.515","0.001","1744.35","0.16","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H33 Cl2 F6 N P2 Ru -","- C37 H33 Cl2 F6 N P2 Ru -","- C74 H66 Cl4 F12 N2 P4 Ru2 -","2","1","","David G. Johnson; Jason M. Lynam; Neetisha S. Mistry; John M. Slattery; Robert J. Thatcher; Adrian C. Whitwood","Ruthenium-Mediated C-H Functionalization of Pyridine: The Role of Vinylidene and Pyridylidene Ligands","Journal of the American Chemical Society","2013","135","","2222","2234","10.1021/ja3097256","","","0.71073","MoKα","","0.041","0.0341","","","0.0794","0.0835","","","","","","1.041","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119314","10.7329","0.0003","18.4072","0.0004","18.7217","0.0005","90","","91.511","0.003","90","","3697.42","0.16","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cl2 F9 N P2 Ru -","- C38 H32 Cl2 F9 N P2 Ru -","- C152 H128 Cl8 F36 N4 P8 Ru4 -","4","1","","David G. Johnson; Jason M. Lynam; Neetisha S. Mistry; John M. Slattery; Robert J. Thatcher; Adrian C. Whitwood","Ruthenium-Mediated C-H Functionalization of Pyridine: The Role of Vinylidene and Pyridylidene Ligands","Journal of the American Chemical Society","2013","135","","2222","2234","10.1021/ja3097256","","","0.7107","MoKα","","0.0502","0.0373","","","0.0762","0.082","","","","","","1.032","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119315","12.3602","0.0011","15.4872","0.0011","17.2133","0.001","90","","96.724","0.006","90","","3272.4","0.4","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 F3 N P Ru -","- C40 H36 F3 N P Ru -","- C160 H144 F12 N4 P4 Ru4 -","4","1","","David G. Johnson; Jason M. Lynam; Neetisha S. Mistry; John M. Slattery; Robert J. Thatcher; Adrian C. Whitwood","Ruthenium-Mediated C-H Functionalization of Pyridine: The Role of Vinylidene and Pyridylidene Ligands","Journal of the American Chemical Society","2013","135","","2222","2234","10.1021/ja3097256","","","0.7107","MoKα","","0.0482","0.036","","","0.0812","0.0879","","","","","","1.059","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119316","11.4116","0.0007","12.9092","0.0006","13.8078","0.0006","85.101","0.004","65.774","0.005","70.153","0.005","1741.33","0.18","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H33 Cl2 F6 N P2 Ru -","- C37 H33 Cl2 F6 N P2 Ru -","- C74 H66 Cl4 F12 N2 P4 Ru2 -","2","1","","David G. Johnson; Jason M. Lynam; Neetisha S. Mistry; John M. Slattery; Robert J. Thatcher; Adrian C. Whitwood","Ruthenium-Mediated C-H Functionalization of Pyridine: The Role of Vinylidene and Pyridylidene Ligands","Journal of the American Chemical Society","2013","135","","2222","2234","10.1021/ja3097256","","","0.7107","MoKα","","0.0307","0.027","","","0.0628","0.0653","","","","","","1.036","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119317","10.7064","0.0004","18.5122","0.0007","18.6411","0.0007","90","","90.298","0.003","90","","3694.6","0.2","110","0.1","110","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cl2 F9 N P2 Ru -","- C38 H32 Cl2 F9 N P2 Ru -","- C152 H128 Cl8 F36 N4 P8 Ru4 -","4","1","","David G. Johnson; Jason M. Lynam; Neetisha S. Mistry; John M. Slattery; Robert J. Thatcher; Adrian C. Whitwood","Ruthenium-Mediated C-H Functionalization of Pyridine: The Role of Vinylidene and Pyridylidene Ligands","Journal of the American Chemical Society","2013","135","","2222","2234","10.1021/ja3097256","","","0.7107","MoKα","","0.0601","0.0438","","","0.074","0.0802","","","","","","1.048","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119318","12.202","0.004","14.586","0.005","18.386","0.006","89.35","0.004","78.614","0.004","89.676","0.004","3207.7","1.8","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H66 Cl12 N2 O0 P2 U -","- C60 H66 Cl12 N2 P2 U -","- C120 H132 Cl24 N4 P4 U2 -","2","1","","Liam P. Spencer; Ping Yang; Stefan G. Minasian; Robert E. Jilek; Enrique R. Batista; Kevin S. Boland; James M. Boncella; Steven D. Conradson; David L. Clark; Trevor W. Hayton; Stosh A. Kozimor; Richard L. Martin; Molly M. MacInnes; Angela C. Olson; Brian L. Scott; David K. Shuh; Marianne P. Wilkerson","Tetrahalide Complexes of the [U(NR)2]2+ Ion: Synthesis, Theory, and Chlorine K-Edge X-ray Absorption Spectroscopy","Journal of the American Chemical Society","2013","135","","2279","2290","10.1021/ja310575j","","","0.71073","MoKα","","0.1229","0.0665","","","0.1527","0.1797","","","","","","0.974","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119319","12.689","0.004","19.686","0.006","10.718","0.003","90","","98.191","0.003","90","","2650","1.4","120","1","120","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C60 H50 Cl4 N2 P2 U -","- C60 Cl4 N2 P2 U -","- C120 Cl8 N4 P4 U2 -","2","0.25","","Liam P. Spencer; Ping Yang; Stefan G. Minasian; Robert E. Jilek; Enrique R. Batista; Kevin S. Boland; James M. Boncella; Steven D. Conradson; David L. Clark; Trevor W. Hayton; Stosh A. Kozimor; Richard L. Martin; Molly M. MacInnes; Angela C. Olson; Brian L. Scott; David K. Shuh; Marianne P. Wilkerson","Tetrahalide Complexes of the [U(NR)2]2+ Ion: Synthesis, Theory, and Chlorine K-Edge X-ray Absorption Spectroscopy","Journal of the American Chemical Society","2013","135","","2279","2290","10.1021/ja310575j","","","0.71073","MoKα","","0.0386","0.0375","","","0.0915","0.0923","","","","","","1.038","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119320","15.5439","0.0014","22.655","0.002","8.2238","0.0007","90","","90","","90","","2896","0.4","141","1","141","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H38 I4 N2 O4 U -","- C18 H38 I4 N2 O4 U -","- C72 H152 I16 N8 O16 U4 -","4","0.5","","Liam P. Spencer; Ping Yang; Stefan G. Minasian; Robert E. Jilek; Enrique R. Batista; Kevin S. Boland; James M. Boncella; Steven D. Conradson; David L. Clark; Trevor W. Hayton; Stosh A. Kozimor; Richard L. Martin; Molly M. MacInnes; Angela C. Olson; Brian L. Scott; David K. Shuh; Marianne P. Wilkerson","Tetrahalide Complexes of the [U(NR)2]2+ Ion: Synthesis, Theory, and Chlorine K-Edge X-ray Absorption Spectroscopy","Journal of the American Chemical Society","2013","135","","2279","2290","10.1021/ja310575j","","","0.71073","MoKα","","0.0349","0.0239","","","0.0551","0.06","","","","","","0.943","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119321","19.515","0.002","9.9247","0.0011","11.7598","0.0013","90","","90","","90","","2277.6","0.4","120","1","120","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C12 H30 I2 N2 O P2 U -","- C12 H30 I2 N2 O P2 U -","- C48 H120 I8 N8 O4 P8 U4 -","4","0.5","","Liam P. Spencer; Ping Yang; Stefan G. Minasian; Robert E. Jilek; Enrique R. Batista; Kevin S. Boland; James M. Boncella; Steven D. Conradson; David L. Clark; Trevor W. Hayton; Stosh A. Kozimor; Richard L. Martin; Molly M. MacInnes; Angela C. Olson; Brian L. Scott; David K. Shuh; Marianne P. Wilkerson","Tetrahalide Complexes of the [U(NR)2]2+ Ion: Synthesis, Theory, and Chlorine K-Edge X-ray Absorption Spectroscopy","Journal of the American Chemical Society","2013","135","","2279","2290","10.1021/ja310575j","","","0.71073","MoKα","","0.0496","0.0397","","","0.0938","0.0967","","","","","","1.044","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119322","7.2206","0.0008","17.233","0.002","10.766","0.0012","90","","103.817","0.001","90","","1300.9","0.3","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H46 Cl4 N4 U -","- C18 H46 Cl4 N4 U -","- C36 H92 Cl8 N8 U2 -","2","0.5","","Liam P. Spencer; Ping Yang; Stefan G. Minasian; Robert E. Jilek; Enrique R. Batista; Kevin S. Boland; James M. Boncella; Steven D. Conradson; David L. Clark; Trevor W. Hayton; Stosh A. Kozimor; Richard L. Martin; Molly M. MacInnes; Angela C. Olson; Brian L. Scott; David K. Shuh; Marianne P. Wilkerson","Tetrahalide Complexes of the [U(NR)2]2+ Ion: Synthesis, Theory, and Chlorine K-Edge X-ray Absorption Spectroscopy","Journal of the American Chemical Society","2013","135","","2279","2290","10.1021/ja310575j","","","0.71073","MoKα","","0.0455","0.0323","","","0.0723","0.1104","","","","","","2.599","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119323","14.9027","0.0012","11.4929","0.0009","19.6962","0.0016","90","","90","","90","","3373.5","0.5","140","1","140","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H58 Br4 N4 U -","- C24 H58 Br4 N4 U -","- C96 H232 Br16 N16 U4 -","4","0.5","","Liam P. Spencer; Ping Yang; Stefan G. Minasian; Robert E. Jilek; Enrique R. Batista; Kevin S. Boland; James M. Boncella; Steven D. Conradson; David L. Clark; Trevor W. Hayton; Stosh A. Kozimor; Richard L. Martin; Molly M. MacInnes; Angela C. Olson; Brian L. Scott; David K. Shuh; Marianne P. Wilkerson","Tetrahalide Complexes of the [U(NR)2]2+ Ion: Synthesis, Theory, and Chlorine K-Edge X-ray Absorption Spectroscopy","Journal of the American Chemical Society","2013","135","","2279","2290","10.1021/ja310575j","","","0.71073","MoKα","","0.0561","0.0332","","","0.0837","0.0903","","","","","","1.263","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119324","7.6146","0.0004","33.1008","0.0017","17.9711","0.0009","90","","99.724","0.003","90","","4464.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H48 N6 O2 S4 Si -","- C50 H48 N6 O2 S4 Si -","- C200 H192 N24 O8 S16 Si4 -","4","1","","Gregory C. Welch; Ronald C. Bakus; Simon J. Teat; Guillermo C. Bazan","Impact of Regiochemistry and Isoelectronic Bridgehead Substitution on the Molecular Shape and Bulk Organization of Narrow Bandgap Chromophores","Journal of the American Chemical Society","2013","135","","2298","2305","10.1021/ja310694t","","","0.7749","synchrotron","","0.0876","0.0586","","","0.114","0.1234","","","","","","1.117","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119325","8.7918","0.0004","15.5384","0.0007","17.5548","0.0007","74.499","0.003","84.468","0.003","89.923","0.003","2299.43","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H48 N6 O2 S4 Si -","- C50 H48 N6 O2 S4 Si -","- C100 H96 N12 O4 S8 Si2 -","2","1","","Gregory C. Welch; Ronald C. Bakus; Simon J. Teat; Guillermo C. Bazan","Impact of Regiochemistry and Isoelectronic Bridgehead Substitution on the Molecular Shape and Bulk Organization of Narrow Bandgap Chromophores","Journal of the American Chemical Society","2013","135","","2298","2305","10.1021/ja310694t","","","0.7749","synchrotron","","0.1103","0.0772","","","0.2084","0.2427","","","","","","1.034","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119326","11.7963","0.0007","13.0288","0.0008","13.8853","0.0008","98.624","0.002","103.354","0.002","97.552","0.002","2022.1","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H39 Br2 Cl3 N6 S4 Si -","- C35 H17 Br2 Cl3 N6 S4 Si -","- C70 H34 Br4 Cl6 N12 S8 Si2 -","2","1","","Gregory C. Welch; Ronald C. Bakus; Simon J. Teat; Guillermo C. Bazan","Impact of Regiochemistry and Isoelectronic Bridgehead Substitution on the Molecular Shape and Bulk Organization of Narrow Bandgap Chromophores","Journal of the American Chemical Society","2013","135","","2298","2305","10.1021/ja310694t","","","0.71073","MoKα","","0.0818","0.0653","","","0.164","0.1678","","","","","","1.773","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119327","11.8522","0.0008","13.1085","0.0009","13.9655","0.001","98.334","0.002","103.295","0.003","97.947","0.002","2055.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H39 Br2 Cl3 Ge N6 S4 -","- C35 H17 Br2 Cl3 Ge N6 S4 -","- C70 H34 Br4 Cl6 Ge2 N12 S8 -","2","1","","Gregory C. Welch; Ronald C. Bakus; Simon J. Teat; Guillermo C. Bazan","Impact of Regiochemistry and Isoelectronic Bridgehead Substitution on the Molecular Shape and Bulk Organization of Narrow Bandgap Chromophores","Journal of the American Chemical Society","2013","135","","2298","2305","10.1021/ja310694t","","","0.71073","MoKα","","0.0752","0.0481","","","0.1321","0.1447","","","","","","1.07","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119328","23.151","0.004","23.779","0.004","13.745","0.002","90","","90","","90","","7567","2","164","2","164","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C35 H38 Br2 N6 S4 -","- C35 H4 Br2 N6 S4 -","- C280 H32 Br16 N48 S32 -","8","1","","Gregory C. Welch; Ronald C. Bakus; Simon J. Teat; Guillermo C. Bazan","Impact of Regiochemistry and Isoelectronic Bridgehead Substitution on the Molecular Shape and Bulk Organization of Narrow Bandgap Chromophores","Journal of the American Chemical Society","2013","135","","2298","2305","10.1021/ja310694t","","","0.71073","MoKα","","0.3091","0.1393","","","0.2487","0.2956","","","","","","1.337","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119329","7.7201","0.0004","20.3825","0.0011","18.1522","0.0009","90","","101.713","0.003","90","","2796.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 B Mn2 O4 Sn -","- C32 H25 B Mn2 O4 Sn -","- C128 H100 B4 Mn8 O16 Sn4 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Sebastian Östreicher; Krzysztof Radacki; Alfredo Vargas","Ditopic Ambiphilicity of an Anionic Dimetalloborylene Complex","Journal of the American Chemical Society","2013","135","","2313","2320","10.1021/ja310895w","","","0.71073","MoKα","","0.046","0.0312","","","0.0595","0.0638","","","","","","1.022","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119330","7.7191","0.0012","20.397","0.003","18.132","0.002","90","","101.623","0.006","90","","2796.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 B Mn2 O4 Pb -","- C32 H25 B Mn2 O4 Pb -","- C128 H100 B4 Mn8 O16 Pb4 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Sebastian Östreicher; Krzysztof Radacki; Alfredo Vargas","Ditopic Ambiphilicity of an Anionic Dimetalloborylene Complex","Journal of the American Chemical Society","2013","135","","2313","2320","10.1021/ja310895w","","","0.71073","MoKα","","0.0569","0.0365","","","0.0543","0.0584","","","","","","1.004","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119331","8.9066","0.0007","17.705","0.0013","23.0059","0.0018","75.632","0.003","89.376","0.003","79.664","0.003","3455.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H34 Ag B Mn2 N2 O4 -","- C38 H34 Ag B Mn2 N2 O4 -","- C152 H136 Ag4 B4 Mn8 N8 O16 -","4","2","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Sebastian Östreicher; Krzysztof Radacki; Alfredo Vargas","Ditopic Ambiphilicity of an Anionic Dimetalloborylene Complex","Journal of the American Chemical Society","2013","135","","2313","2320","10.1021/ja310895w","","","0.71073","MoKα","","0.0392","0.0313","","","0.0755","0.0819","","","","","","1.019","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119332","8.91","0.002","12.979","0.003","16.379","0.004","110.557","0.007","97.923","0.007","90.063","0.009","1754.1","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H34 B Cu Mn2 N2 O4 -","- C41 H34 B Cu Mn2 N2 O4 -","- C82 H68 B2 Cu2 Mn4 N4 O8 -","2","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Sebastian Östreicher; Krzysztof Radacki; Alfredo Vargas","Ditopic Ambiphilicity of an Anionic Dimetalloborylene Complex","Journal of the American Chemical Society","2013","135","","2313","2320","10.1021/ja310895w","","","0.71073","MoKα","","0.0479","0.041","","","0.1117","0.1179","","","","","","1.041","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119333","8.0182","0.0005","11.7305","0.0007","18.013","0.0011","101.789","0.002","91.958","0.002","104.741","0.002","1597.28","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H58 Au2 B2 Mn4 O8 P2 -","- C71 H58 Au2 B2 Mn4 O8 P2 -","- C71 H58 Au2 B2 Mn4 O8 P2 -","1","0.5","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Sebastian Östreicher; Krzysztof Radacki; Alfredo Vargas","Ditopic Ambiphilicity of an Anionic Dimetalloborylene Complex","Journal of the American Chemical Society","2013","135","","2313","2320","10.1021/ja310895w","","","0.71073","MoKα","","0.0212","0.0203","","","0.0493","0.0498","","","","","","1.06","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119334","13.7041","0.0003","24.2162","0.0005","21.1778","0.0004","90","","99.352","0.001","90","","6934.7","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H55 F24 N15 P4 Ru2 -","- C65 H55 F24 N15 P4 Ru2 -","- C260 H220 F96 N60 P16 Ru8 -","4","1","","Michael R. Norris; Javier J. Concepcion; Daniel P. Harrison; Robert A. Binstead; Dennis L. Ashford; Zhen Fang; Joseph L. Templeton; Thomas J. Meyer","Redox Mediator Effect on Water Oxidation in a Ruthenium-Based Chromophore-Catalyst Assembly","Journal of the American Chemical Society","2013","135","","2080","2083","10.1021/ja311645d","","","1.54184","CuKα","","0.0566","0.0483","","","0.129","0.1366","","","","","","1.039","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119335","15.028","0.003","19.542","0.004","22.785","0.005","105.22","0.03","94.06","0.03","104.83","0.03","6173","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H140 F15 N4 O31 P5 Pt2 S3 -","- C84 H122 F15 N4 O31 P5 Pt2 S3 -","- C168 H244 F30 N8 O62 P10 Pt4 S6 -","2","1","","Shijun Li; Jianying Huang; Timothy R. Cook; J. Bryant Pollock; Hyunuk Kim; Ki-Whan Chi; Peter J. Stang","Formation of [3]Catenanes from 10 Precursors via Multicomponent Coordination-Driven Self-Assembly of Metallarectangles","Journal of the American Chemical Society","2013","135","","2084","2087","10.1021/ja3118812","","","0.8","synchrotron","","0.1247","0.1183","","","0.3579","0.3672","","","","","","1.702","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119336","7.9411","0.0019","11.66","0.003","14.349","0.003","69.3944","0.0036","82.398","0.0039","82.5885","0.004","1227.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 B O P Ru -","- C28 H34 B O P Ru -","- C56 H68 B2 O2 P2 Ru2 -","2","1","","Thomas G. Ostapowicz; Carina Merkens; Markus Hölscher; Jürgen Klankermayer; Walter Leitner","Bifunctional Ruthenium(II) Hydride Complexes with Pendant Strong Lewis Acid Moieties: Structure, Dynamics, and Cooperativity","Journal of the American Chemical Society","2013","135","","2104","2107","10.1021/ja3119477","","","0.71073","MoKα","","0.073","0.0603","","","0.1348","0.141","","","","","","1.131","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4119337","24.353","0.018","13.745","0.011","19.633","0.015","90","","101.249","0.012","90","","6446","9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C69 H52 B2 F20 O2 P2 Ru2 -","- C69 H52 B2 F20 O2 P2 Ru2 -","- C276 H208 B8 F80 O8 P8 Ru8 -","4","0.5","","Thomas G. Ostapowicz; Carina Merkens; Markus Hölscher; Jürgen Klankermayer; Walter Leitner","Bifunctional Ruthenium(II) Hydride Complexes with Pendant Strong Lewis Acid Moieties: Structure, Dynamics, and Cooperativity","Journal of the American Chemical Society","2013","135","","2104","2107","10.1021/ja3119477","","","0.71073","MoKα","","0.0819","0.0584","","","0.1411","0.1499","","","","","","1.16","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4119338","15.0652","0.0011","9.7628","0.0007","22.9777","0.0016","90","","96.282","0.001","90","","3359.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 B F10 O P Ru -","- C37 H30 B F10 O P Ru -","- C148 H120 B4 F40 O4 P4 Ru4 -","4","1","","Thomas G. Ostapowicz; Carina Merkens; Markus Hölscher; Jürgen Klankermayer; Walter Leitner","Bifunctional Ruthenium(II) Hydride Complexes with Pendant Strong Lewis Acid Moieties: Structure, Dynamics, and Cooperativity","Journal of the American Chemical Society","2013","135","","2104","2107","10.1021/ja3119477","","","0.71073","MoKα","","0.0476","0.0372","","","0.0885","0.0947","","","","","","1.053","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4119339","8.9432","0.0002","9.9942","0.0002","11.8822","0.0002","70.5189","0.0011","71.0817","0.001","69.358","0.0011","910.89","0.03","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 N O2 S -","- C23 H19 N O2 S -","- C46 H38 N2 O4 S2 -","2","1","","Takahiro Nishimura; Yusuke Ebe; Tamio Hayashi","Iridium-Catalyzed [3 + 2] Annulation of Cyclic N-Sulfonyl Ketimines with 1,3-Dienes via C-H Activation","Journal of the American Chemical Society","2013","135","","2092","2095","10.1021/ja311968d","","","1.54187","CuKα","","0.053","0.0464","","","0.1398","0.148","","","","","","1.093","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119340","8.9566","0.0003","9.482","0.0003","14.1756","0.0004","104.589","0.0018","90.0697","0.0018","114.248","0.0017","1054.78","0.06","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O4 S -","- C24 H27 N O4 S -","- C48 H54 N2 O8 S2 -","2","1","","Takahiro Nishimura; Yusuke Ebe; Tamio Hayashi","Iridium-Catalyzed [3 + 2] Annulation of Cyclic N-Sulfonyl Ketimines with 1,3-Dienes via C-H Activation","Journal of the American Chemical Society","2013","135","","2092","2095","10.1021/ja311968d","","","1.54187","CuKα","","0.0506","0.0454","","","0.1175","0.1215","","","","","","1.114","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119341","12.5101","0.0002","10.678","0.0002","14.8831","0.0003","90","","113.176","0.0008","90","","1827.69","0.06","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F3 N O2 S -","- C20 H18 F3 N O2 S -","- C80 H72 F12 N4 O8 S4 -","4","1","","Takahiro Nishimura; Yusuke Ebe; Tamio Hayashi","Iridium-Catalyzed [3 + 2] Annulation of Cyclic N-Sulfonyl Ketimines with 1,3-Dienes via C-H Activation","Journal of the American Chemical Society","2013","135","","2092","2095","10.1021/ja311968d","","","1.54187","CuKα","","0.0574","0.0436","","","0.1021","0.114","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119342","36","0.016","36","0.016","16.05","0.008","90","","90","","120","","18014","14","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C34 H44 N4 O8 Pd2 -","- C34 H44 N4 O8 Pd2 -","- C612 H792 N72 O144 Pd36 -","18","0.5","","Shu-Yu Zhang; Gang He; William A. Nack; Yingsheng Zhao; Qiong Li; Gong Chen","Palladium-Catalyzed Picolinamide-Directed Alkylation of Unactivated C(sp3)-H Bonds with Alkyl Iodides","Journal of the American Chemical Society","2013","135","","2124","2127","10.1021/ja312277g","","","0.71073","MoKα","","0.1211","0.0861","","","0.1912","0.2106","","","","","","1.172","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119343","6.0151","0.0004","18.2558","0.0012","6.235","0.0004","90","","95.614","0.002","90","","681.38","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","CS-11052","hartwig15","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C34 H38 N2 O4 -","2","1","","Christo S. Sevov; John F. Hartwig","Iridium-Catalyzed Intermolecular Asymmetric Hydroheteroarylation of Bicycloalkenes","Journal of the American Chemical Society","2013","135","","2116","2119","10.1021/ja312360c","","","1.54178","CuKα","","0.03","0.03","","","0.0729","0.0729","","","","","","1.06","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4119344","14.6721","0.0008","18.2645","0.0009","32.1473","0.0015","90","","90","","90","","8614.8","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CS-10223","hartwig14","","- C82 H116 Cl Ir O8 P2 -","- C82 H116 Cl Ir O8 P2 -","- C328 H464 Cl4 Ir4 O32 P8 -","4","1","","Christo S. Sevov; John F. Hartwig","Iridium-Catalyzed Intermolecular Asymmetric Hydroheteroarylation of Bicycloalkenes","Journal of the American Chemical Society","2013","135","","2116","2119","10.1021/ja312360c","","","0.71073","MoKα","","0.0465","0.0379","","","0.078","0.0808","","","","","","1.02","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4119345","12.3999","0.0005","4.6759","0.0002","22.7022","0.0009","90","","105.674","0.002","90","","1267.34","0.09","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Sebastian Menning; Maximilian Krämer; Benjamin A. Coombs; Frank Rominger; Andrew Beeby; Andreas Dreuw; Uwe H. F. Bunz","Twisted Tethered Tolanes: Unanticipated Long-Lived Phosphorescence at 77 K","Journal of the American Chemical Society","2013","135","","2160","2163","10.1021/ja400416r","","","0.71073","MoKα","","0.0545","0.0457","","","0.1261","0.132","","","","","","1.104","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119346","8.048","0.002","8.856","0.002","11.42","0.003","83.591","0.005","83.761","0.005","69.162","0.005","753.9","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H14 O4 -","- C19 H14 O4 -","- C38 H28 O8 -","2","1","","Sebastian Menning; Maximilian Krämer; Benjamin A. Coombs; Frank Rominger; Andrew Beeby; Andreas Dreuw; Uwe H. F. Bunz","Twisted Tethered Tolanes: Unanticipated Long-Lived Phosphorescence at 77 K","Journal of the American Chemical Society","2013","135","","2160","2163","10.1021/ja400416r","","","0.71073","MoKα","","0.0816","0.0646","","","0.1765","0.189","","","","","","1.063","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119347","17.8867","0.0014","13.1372","0.0011","7.7251","0.0006","90","","90.981","0.002","90","","1815","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 O4 -","- C24 H16 O4 -","- C96 H64 O16 -","4","1","","Sebastian Menning; Maximilian Krämer; Benjamin A. Coombs; Frank Rominger; Andrew Beeby; Andreas Dreuw; Uwe H. F. Bunz","Twisted Tethered Tolanes: Unanticipated Long-Lived Phosphorescence at 77 K","Journal of the American Chemical Society","2013","135","","2160","2163","10.1021/ja400416r","","","0.71073","MoKα","","0.0751","0.0497","","","0.1263","0.1361","","","","","","1.158","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119348","11.919","0.003","12.417","0.003","14.246","0.004","65.888","0.005","68.574","0.005","80.752","0.005","1791.3","0.8","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H16 O4 -","- C24 H16 O4 -","- C96 H64 O16 -","4","2","","Sebastian Menning; Maximilian Krämer; Benjamin A. Coombs; Frank Rominger; Andrew Beeby; Andreas Dreuw; Uwe H. F. Bunz","Twisted Tethered Tolanes: Unanticipated Long-Lived Phosphorescence at 77 K","Journal of the American Chemical Society","2013","135","","2160","2163","10.1021/ja400416r","","","0.71073","MoKα","","0.1056","0.0893","","","0.2455","0.2626","","","","","","1.019","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119349","13.52737","0.00015","17.6421","0.0002","18.1903","0.0002","90","","99.5309","0.0011","90","","4281.21","0.08","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H54 Cl2 N6 O2 Pt S2 -","- C39 H54 Cl2 N6 O2 Pt S2 -","- C156 H216 Cl8 N24 O8 Pt4 S8 -","4","1","","Grazia Cafeo; Grazia Carbotti; Angela Cuzzola; Marina Fabbi; Silvano Ferrini; Franz H. Kohnke; Georgia Papanikolaou; Maria Rosaria Plutino; Camillo Rosano; Andrew J. P. White","Drug Delivery with a Calixpyrrole-trans-Pt(II) Complex","Journal of the American Chemical Society","2013","135","","2544","2551","10.1021/ja307791j","","","1.54184","CuKα","","0.0413","0.0361","","","0.1077","0.1109","","","","","","1.061","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119350","26.8277","0.0005","37.9763","0.0016","22.2878","0.0005","90","","94.23","0.002","90","","22645.3","1.2","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C232 H278 Cl4 F24 Fe4 N38 O42 S8 -","- C144 H108 Cl Fe4 N24 O4 -","- C576 H432 Cl4 Fe16 N96 O16 -","4","0.5","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","1.54184","CuKα","","0.1309","0.1003","","","0.2694","0.2956","","","","","","0.991","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119351","26.8643","0.0006","37.9527","0.0014","22.2933","0.0004","90","","94.065","0.002","90","","22672.5","1.1","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C232 H278 B4 F40 Fe4 N42 O26 S8 -","- C144 H108 B F4 Fe4 N24 -","- C576 H432 B4 F16 Fe16 N96 -","4","0.5","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","1.54184","CuKα","","0.1249","0.107","","","0.306","0.3233","","","","","","1.212","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119352","43.1549","0.0006","43.1549","0.0006","54.1365","0.0011","90","","90","","90","","100821","3","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C472 H505 Cl20 Fe10 N75 O89 -","- C394 H336 Cl12.5 Fe10 N62 O46 -","- C3152 H2688 Cl100 Fe80 N496 O368 -","8","1","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","1.5418","CuKα","","0.1651","0.1035","","","0.2491","0.2918","","","","","","0.931","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119353","20.456","0.003","27.508","0.003","40.763","0.005","88.663","0.005","86.592","0.003","87.672","0.006","22873","5","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C480 H525 B19 Cl Co10 F76 N65 O15 -","- C390 H330 B7 Cl Co10 F28 N60 -","- C780 H660 B14 Cl2 Co20 F56 N120 -","2","1","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","0.71073","MoKα","","0.2153","0.148","","","0.3536","0.3959","","","","","","1.181","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119354","24.581","0.005","24.581","0.005","41.33","0.011","90","","90","","120","","21627","8","100","2","100","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C200.5 H210.75 F24 N30.25 Ni4 O30 S8 -","- C176.5 H150.75 F23.9998 N30.25 Ni4 O23.9998 S7.99995 -","- C706 H603 F95.9994 N121 Ni16 O95.9994 S31.9998 -","4","0.333333","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","0.6889","synchrotron","","0.1009","0.0989","","","0.2713","0.274","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119355","21.912","0.0002","21.912","0.0002","54.056","0.0009","90","","90","","120","","22477","0.5","120","2","120","2","","","","","","","","7","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C272 H284 F36 N40 Ni6 O42 S12 -","- C219 H176 F33 N32 Ni6 O33 S11 -","- C657 H528 F99 N96 Ni18 O99 S33 -","3","0.25","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","0.71073","MoKα","","0.1258","0.1208","","","0.3155","0.3205","","","","","","1.104","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119356","21.568","0.008","30.857","0.011","34.26","0.012","90","","97.353","0.006","90","","22613","14","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C430 H422 Cl20 N64 Ni10 O84 -","- C398 H342 Cl15 N64 Ni10 O56 -","- C796 H684 Cl30 N128 Ni20 O112 -","2","0.5","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","1.54187","CuKα","","0.2399","0.1497","","","0.3666","0.4101","","","","","","0.957","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119357","35.73","0.0017","29.1212","0.0015","41.6634","0.0019","90","","93.174","0.002","90","","43284","4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C420 H400 Cl20 N70 Ni10 O86 -","- C360 H270 Cl12 N60 Ni10 O44 -","- C1440 H1080 Cl48 N240 Ni40 O176 -","4","0.5","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","0.71073","MoKα","","0.1943","0.1477","","","0.3702","0.3952","","","","","","1.334","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119358","20.554","0.008","20.554","0.008","40.27","0.02","90","","90","","90","","17013","13","100","2","100","2","","","","","","","","5","P -4 2 c","P -4 2c","112","","","","- C332 H308 N68 Ni8 O52 -","- C312 H264 N52 Ni8 O12 -","- C624 H528 N104 Ni16 O24 -","2","0.25","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","0.6889","synchrotron","","0.1612","0.1425","","","0.3646","0.3816","","","","","","1.372","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119359","26.419","0.004","26.419","0.004","21.487","0.004","90","","90","","120","","12988","4","180","2","180","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C29 H34 N6 O9 Zn -","- C26 H22 N6 O6 Zn -","- C468 H396 N108 O108 Zn18 -","18","0.5","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","0.71073","MoKα","","0.1593","0.1377","","","0.3237","0.3421","","","","","","0.952","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119360","10.959","0.003","5.4585","0.0017","9.588","0.003","90","","95.985","0.004","90","","570.4","0.3","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H9 B K N -","- C2 H9 B K N -","- C8 H36 B4 K4 N4 -","4","1","","David J. Wolstenholme; Jenna Flogeras; Franklin N. Che; Andreas Decken; G. Sean McGrady","Homopolar Dihydrogen Bonding in Alkali Metal Amidoboranes: Crystal Engineering of Low-Dimensional Molecular Materials","Journal of the American Chemical Society","2013","135","","2439","2442","10.1021/ja311778k","","x-ray","0.71073","MoKα","","0.0519","0.0342","","","0.0981","0.1049","","","","","","1.228","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119361","10.541","0.003","10.544","0.003","9.821","0.003","90","","107.11","0.004","90","","1043.2","0.5","188","1","188","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H18 B2 Li2 N2 -","- C4 H18 B2 Li2 N2 -","- C16 H72 B8 Li8 N8 -","4","1","","David J. Wolstenholme; Jenna Flogeras; Franklin N. Che; Andreas Decken; G. Sean McGrady","Homopolar Dihydrogen Bonding in Alkali Metal Amidoboranes: Crystal Engineering of Low-Dimensional Molecular Materials","Journal of the American Chemical Society","2013","135","","2439","2442","10.1021/ja311778k","","x-ray","0.71073","MoKα","","0.1159","0.0492","","","0.1088","0.1484","","","","","","1.037","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119362","11.784","0.001","24.717","0.001","11.651","0.002","90","","90","","90","","3393.5","0.7","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Gd60 Ru9.84 Sn61.08 -","- Gd60 Ru9.84 Sn61.08 -","- Gd60 Ru9.84 Sn61.08 -","1","0.125","","Devin C. Schmitt; Neel Haldolaarachchige; Joseph Prestigiacomo; Amar Karki; David P. Young; Shane Stadler; Rongying Jin; Julia Y. Chan","Structural Complexity Meets Transport and Magnetic Anisotropy in Single Crystalline Ln30Ru4Sn31 (Ln = Gd, Dy)","Journal of the American Chemical Society","2013","135","","2748","2758","10.1021/ja311779t","","","0.71073","MoKα","","0.0395","0.0288","","","0.0605","0.0628","","","","","","1.287","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119363","11.696","0.001","24.505","0.001","11.578","0.002","90","","90","","90","","3318.4","0.7","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Ru12 Sn58.94 Tb60 -","- Ru12 Sn58.94 Tb60 -","- Ru12 Sn58.94 Tb60 -","1","0.125","","Devin C. Schmitt; Neel Haldolaarachchige; Joseph Prestigiacomo; Amar Karki; David P. Young; Shane Stadler; Rongying Jin; Julia Y. Chan","Structural Complexity Meets Transport and Magnetic Anisotropy in Single Crystalline Ln30Ru4Sn31 (Ln = Gd, Dy)","Journal of the American Chemical Society","2013","135","","2748","2758","10.1021/ja311779t","","","0.71073","MoKα","","0.0299","0.023","","","0.0436","0.0448","","","","","","1.29","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119364","11.659","0.001","24.457","0.001","11.564","0.002","90","","90","","90","","3297.4","0.7","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Dy60 Ru9.14 Sn61.43 -","- Dy60 Ru9.136 Sn61.432 -","- Dy60 Ru9.136 Sn61.432 -","1","0.125","","Devin C. Schmitt; Neel Haldolaarachchige; Joseph Prestigiacomo; Amar Karki; David P. Young; Shane Stadler; Rongying Jin; Julia Y. Chan","Structural Complexity Meets Transport and Magnetic Anisotropy in Single Crystalline Ln30Ru4Sn31 (Ln = Gd, Dy)","Journal of the American Chemical Society","2013","135","","2748","2758","10.1021/ja311779t","","","0.71073","MoKα","","0.0465","0.0291","","","0.0539","0.0577","","","","","","1.101","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119365","12.633","0.005","21.77","0.008","7.743","0.007","90","","96.218","0.002","90","","2117","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cesium Plutonium(IV)hexamolybdate","","","- Cs Mo6 O25 Pu3 -","- Cs Mo6 O25 Pu3 -","- Cs4 Mo24 O100 Pu12 -","4","0.5","","Justin N. Cross; Patrick M. Duncan; Eric M. Villa; Matthew J. Polinski; Jean-Marie Babo; Evgeny V. Alekseev; Corwin H. Booth; Thomas E. Albrecht-Schmitt","From Yellow to Black: Dramatic Changes between Cerium(IV) and Plutonium(IV) Molybdates","Journal of the American Chemical Society","2013","135","","2769","2775","10.1021/ja311910h","","","0.71073","MoKα","","0.0625","0.0416","","","0.0835","0.0889","","","","","","1.022","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119366","12.7337","0.0007","22.1309","0.0016","7.8392","0.0004","90","","96.591","0.004","90","","2194.6","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cerium hexamolybdate hydrate","","","- Ce3 H Mo6 O28 -","- Ce3 Mo6 O28 -","- Ce12 Mo24 O112 -","4","0.5","","Justin N. Cross; Patrick M. Duncan; Eric M. Villa; Matthew J. Polinski; Jean-Marie Babo; Evgeny V. Alekseev; Corwin H. Booth; Thomas E. Albrecht-Schmitt","From Yellow to Black: Dramatic Changes between Cerium(IV) and Plutonium(IV) Molybdates","Journal of the American Chemical Society","2013","135","","2769","2775","10.1021/ja311910h","","","0.71073","MoKα","","0.0632","0.0403","","","0.0845","0.093","","","","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119367","7.9616","0.0002","17.3191","0.0004","17.5815","0.0012","68.476","0.005","88.094","0.006","89.144","0.006","2253.96","0.19","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 N O4 -","- C27 H29 N O4 -","- C108 H116 N4 O16 -","4","2","","Michael A. Ischay; Michael K. Takase; Robert G. Bergman; Jonathan A. Ellman","Unstabilized Azomethine Ylides for the Stereoselective Synthesis of Substituted Piperidines, Tropanes, and Azabicyclo[3.1.0] Systems","Journal of the American Chemical Society","2013","135","","2478","2481","10.1021/ja312311k","","","1.54187","CuKα","","0.0787","0.0684","","","0.1833","0.1884","","","","","","1.076","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119368","9.4433","0.0006","18.5757","0.0012","10.1997","0.0007","90","","95.268","0.007","90","","1781.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Cl N -","- C21 H26 Cl N -","- C84 H104 Cl4 N4 -","4","1","","Michael A. Ischay; Michael K. Takase; Robert G. Bergman; Jonathan A. Ellman","Unstabilized Azomethine Ylides for the Stereoselective Synthesis of Substituted Piperidines, Tropanes, and Azabicyclo[3.1.0] Systems","Journal of the American Chemical Society","2013","135","","2478","2481","10.1021/ja312311k","","","0.71075","MoKα","","0.0394","0.036","","","0.0926","0.0947","","","","","","1.052","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119369","22.7381","0.0016","14.1039","0.0003","11.6051","0.0002","90","","90","","90","","3721.7","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H26 Cl N -","- C21 H26 Cl N -","- C168 H208 Cl8 N8 -","8","1","","Michael A. Ischay; Michael K. Takase; Robert G. Bergman; Jonathan A. Ellman","Unstabilized Azomethine Ylides for the Stereoselective Synthesis of Substituted Piperidines, Tropanes, and Azabicyclo[3.1.0] Systems","Journal of the American Chemical Society","2013","135","","2478","2481","10.1021/ja312311k","","","0.71075","MoKα","","0.0621","0.045","","","0.1078","0.115","","","","","","1.081","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119370","6.5589","0.0003","15.8671","0.0006","20.7298","0.0008","90","","90","","90","","2157.37","0.15","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 N2 O3 S -","- C23 H26 N2 O3 S -","- C92 H104 N8 O12 S4 -","4","1","","Barry M. Trost; Tom M. Lam; Melissa A. Herbage","Regio- and Enantioselective Synthesis of Pyrrolidines Bearing a Quaternary Center by Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of Trimethylenemethanes","Journal of the American Chemical Society","2013","135","","2459","2461","10.1021/ja312351s","","","1.54184","CuKα","","0.0279","0.0265","","","0.0722","0.0725","","","","","","1.049","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119371","12.4129","0.0004","17.3342","0.0006","26.3774","0.0008","90.882","0.002","95.194","0.002","90.489","0.002","5651.3","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C99.38 H106.07 F30 N8.69 O10 P5 S4 -","- C99.38 H106.07 F29.994 N8.69 O10 P4.999 S4 -","- C198.76 H212.14 F59.988 N17.38 O20 P9.998 S8 -","2","1","","Gokhan Barin; Marco Frasconi; Scott M. Dyar; Julien Iehl; Onur Buyukcakir; Amy A. Sarjeant; Raanan Carmieli; Ali Coskun; Michael R. Wasielewski; J. Fraser Stoddart","Redox-Controlled Selective Docking in a [2]Catenane Host","Journal of the American Chemical Society","2013","135","","2466","2469","10.1021/ja3125004","","","1.54184","CuKα","","0.1476","0.121","","","0.3627","0.379","","","","","","1.472","","","","has coordinates,has disorder,has Fobs","178964","2020-10-21","18:00:00",""
"4119372","19.0012","0.0006","11.2967","0.0004","13.7427","0.0005","90","","90","","90","","2949.88","0.18","100","2","100.01","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C52.8 H51.2 F12 N4 O0.8 P2 -","- C52.8 H51.2 F12 N4 O0.8 P2 -","- C105.6 H102.4 F24 N8 O1.6 P4 -","2","0.5","","Gokhan Barin; Marco Frasconi; Scott M. Dyar; Julien Iehl; Onur Buyukcakir; Amy A. Sarjeant; Raanan Carmieli; Ali Coskun; Michael R. Wasielewski; J. Fraser Stoddart","Redox-Controlled Selective Docking in a [2]Catenane Host","Journal of the American Chemical Society","2013","135","","2466","2469","10.1021/ja3125004","","","1.54184","CUKα","","0.0775","0.053","","","0.1193","0.1272","","","","","","0.899","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119373","9.0851","0.0018","19.077","0.004","11.883","0.002","90","","102.82","0.03","90","","2008.2","0.7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O3 -","- C22 H27 N O3 -","- C88 H108 N4 O12 -","4","1","","Jonas S. Laursen; Jens Engel-Andreasen; Peter Fristrup; Pernille Harris; Christian A. Olsen","Cis-Trans Amide Bond Rotamers in β-Peptoids and Peptoids: Evaluation of Stereoelectronic Effects in Backbone and Side Chains","Journal of the American Chemical Society","2013","135","","2835","2844","10.1021/ja312532x","","","0.71073","MoKα","","0.0848","0.0511","","","0.1023","0.1235","","","","","","1.038","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119374","11.3472","0.0003","16.1304","0.0005","11.5066","0.0003","90","","110.156","0.0006","90","","1977.13","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 F3 N2 O3 -","- C21 H23 F3 N2 O3 -","- C84 H92 F12 N8 O12 -","4","2","","Jonas S. Laursen; Jens Engel-Andreasen; Peter Fristrup; Pernille Harris; Christian A. Olsen","Cis-Trans Amide Bond Rotamers in β-Peptoids and Peptoids: Evaluation of Stereoelectronic Effects in Backbone and Side Chains","Journal of the American Chemical Society","2013","135","","2835","2844","10.1021/ja312532x","","","0.71073","MoKα","","0.0521","0.0388","","","0.0823","0.0948","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119375","10.162","0.002","10.857","0.002","17.358","0.004","90","","90","","90","","1915.1","0.7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O S -","- C21 H26 N2 O S -","- C84 H104 N8 O4 S4 -","4","1","","Jonas S. Laursen; Jens Engel-Andreasen; Peter Fristrup; Pernille Harris; Christian A. Olsen","Cis-Trans Amide Bond Rotamers in β-Peptoids and Peptoids: Evaluation of Stereoelectronic Effects in Backbone and Side Chains","Journal of the American Chemical Society","2013","135","","2835","2844","10.1021/ja312532x","","","0.71073","MoKα","","0.0566","0.0494","","","0.1391","0.1587","","","","","","1.017","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119376","24.04","0.008","27.149","0.01","22.396","0.008","90","","121.465","0.004","90","","12468","8","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H152 As4 Cl8 Ga2 N8 O -","- C112 H152 As4 Cl8 Ga2 N8 O -","- C448 H608 As16 Cl32 Ga8 N32 O4 -","4","0.5","","Mariham Y. Abraham; Yuzhong Wang; Yaoming Xie; Robert J. Gilliard; Pingrong Wei; Brian J. Vaccaro; Michael K. Johnson; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","Oxidation of Carbene-Stabilized Diarsenic: Diarsene Dications and Diarsenic Radical Cations","Journal of the American Chemical Society","2013","135","","2486","2488","10.1021/ja400219d","","","0.71073","MoKα","","0.0804","0.0549","","","0.1643","0.1872","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119377","15.2173","0.001","18.324","0.0012","13.9424","0.0009","90","","115.953","0.001","90","","3495.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H78 As2 Cl8 Ga2 N6 -","- C58 H78 As2 Cl8 Ga2 N6 -","- C116 H156 As4 Cl16 Ga4 N12 -","2","0.5","","Mariham Y. Abraham; Yuzhong Wang; Yaoming Xie; Robert J. Gilliard; Pingrong Wei; Brian J. Vaccaro; Michael K. Johnson; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","Oxidation of Carbene-Stabilized Diarsenic: Diarsene Dications and Diarsenic Radical Cations","Journal of the American Chemical Society","2013","135","","2486","2488","10.1021/ja400219d","","","0.71073","MoKα","","0.0534","0.0385","","","0.095","0.1045","","","","","","1.011","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119378","12.801","0.005","15.247","0.005","18.462","0.008","90","","100.959","0.006","90","","3538","2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H41 P3 Pd Si -","- C40 H41 P3 Pd Si -","- C160 H164 P12 Pd4 Si4 -","4","1","","Naohiro Kirai; Jun Takaya; Nobuharu Iwasawa","Two Reversible σ-Bond Metathesis Pathways for Boron-Palladium Bond Formation: Selective Synthesis of Isomeric Five-Coordinate Borylpalladium Complexes","Journal of the American Chemical Society","2013","135","","2493","2496","10.1021/ja400294m","","","0.71075","MoKα","","0.1218","0.0594","","","0.1213","0.1512","","","","","","0.937","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119379","14.434","0.003","17.568","0.003","19.135","0.004","90","","95.823","0.004","90","","4827.1","1.6","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H64 B O2 P3 Pd Si -","- C51 H64 B O2 P3 Pd Si -","- C204 H256 B4 O8 P12 Pd4 Si4 -","4","1","","Naohiro Kirai; Jun Takaya; Nobuharu Iwasawa","Two Reversible σ-Bond Metathesis Pathways for Boron-Palladium Bond Formation: Selective Synthesis of Isomeric Five-Coordinate Borylpalladium Complexes","Journal of the American Chemical Society","2013","135","","2493","2496","10.1021/ja400294m","","","0.71073","MoKα","","0.1184","0.0583","","","0.1195","0.1604","","","","","","0.94","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119380","24.922","0.003","13.0423","0.0012","34.076","0.004","90","","100.461","0.0017","90","","10892","2","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C63 H58 B O3 P3 Pd Si -","- C63 H58 B O2.5 P3 Pd Si -","- C504 H464 B8 O20 P24 Pd8 Si8 -","8","1","","Naohiro Kirai; Jun Takaya; Nobuharu Iwasawa","Two Reversible σ-Bond Metathesis Pathways for Boron-Palladium Bond Formation: Selective Synthesis of Isomeric Five-Coordinate Borylpalladium Complexes","Journal of the American Chemical Society","2013","135","","2493","2496","10.1021/ja400294m","","","0.71075","MoKα","","0.0621","0.0532","","","0.1234","0.1301","","","","","","1.123","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119381","18.318","0.004","11.536","0.002","21.045","0.005","90","","95.183","0.004","90","","4429","1.6","123","2","123","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C49 H52 B O2 P3 Pd Si -","- C49 H52 B O2 P3 Pd Si -","- C196 H208 B4 O8 P12 Pd4 Si4 -","4","1","","Naohiro Kirai; Jun Takaya; Nobuharu Iwasawa","Two Reversible σ-Bond Metathesis Pathways for Boron-Palladium Bond Formation: Selective Synthesis of Isomeric Five-Coordinate Borylpalladium Complexes","Journal of the American Chemical Society","2013","135","","2493","2496","10.1021/ja400294m","","","0.71073","MoKα","","0.1602","0.0706","","","0.1296","0.1625","","","","","","0.945","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119382","12.084","0.006","17.047","0.008","12.463","0.006","90","","92.255","0.01","90","","2565","2","123","2","123","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C61 H58 B O2 P3 Pd Si -","- C61 H58 B O2 P3 Pd Si -","- C122 H116 B2 O4 P6 Pd2 Si2 -","2","1","","Naohiro Kirai; Jun Takaya; Nobuharu Iwasawa","Two Reversible σ-Bond Metathesis Pathways for Boron-Palladium Bond Formation: Selective Synthesis of Isomeric Five-Coordinate Borylpalladium Complexes","Journal of the American Chemical Society","2013","135","","2493","2496","10.1021/ja400294m","","","0.71073","MoKα","","0.1624","0.0963","","","0.2185","0.2625","","","","","","0.995","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119383","8.5973","0.001","7.263","0.001","13.3032","0.0016","90","","91.863","0.009","90","","830.24","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C38 H52 O4 -","2","1","","Grace E. Ferris; Kai Hong; Ian A. Roundtree; James P. Morken","A Catalytic Enantioselective Tandem Allylation Strategy for Rapid Terpene Construction: Application to the Synthesis of Pumilaside Aglycon","Journal of the American Chemical Society","2013","135","","2501","2504","10.1021/ja400506j","","","1.54178","CuKα","","0.0561","0.0473","","","0.1116","0.1159","","","","","","1.08","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119384","14.6441","0.0014","6.9021","0.0007","16.9049","0.0016","90","","106.762","0.004","90","","1636.1","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","2","","Grace E. Ferris; Kai Hong; Ian A. Roundtree; James P. Morken","A Catalytic Enantioselective Tandem Allylation Strategy for Rapid Terpene Construction: Application to the Synthesis of Pumilaside Aglycon","Journal of the American Chemical Society","2013","135","","2501","2504","10.1021/ja400506j","","","1.54178","CuKα","","0.0347","0.0337","","","0.0878","0.0888","","","","","","1.027","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119385","7.9329","0.0003","7.1935","0.0003","10.3786","0.0004","90","","90.391","0.001","90","","592.24","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H22 O2 -","- C13 H22 O2 -","- C26 H44 O4 -","2","1","","Grace E. Ferris; Kai Hong; Ian A. Roundtree; James P. Morken","A Catalytic Enantioselective Tandem Allylation Strategy for Rapid Terpene Construction: Application to the Synthesis of Pumilaside Aglycon","Journal of the American Chemical Society","2013","135","","2501","2504","10.1021/ja400506j","","","1.54178","CuKα","","0.0299","0.0296","","","0.0792","0.0793","","","","","","1.048","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119386","6.7212","0.0006","7.0056","0.0007","15.1193","0.0014","90","","93.239","0.004","90","","710.77","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C30 H52 O4 -","2","1","","Grace E. Ferris; Kai Hong; Ian A. Roundtree; James P. Morken","A Catalytic Enantioselective Tandem Allylation Strategy for Rapid Terpene Construction: Application to the Synthesis of Pumilaside Aglycon","Journal of the American Chemical Society","2013","135","","2501","2504","10.1021/ja400506j","","","1.54178","CuKα","","0.0314","0.0312","","","0.0827","0.0829","","","","","","1.085","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119387","9.874","0.005","9.874","0.005","32.962","0.005","90","","90","","120","","2783","2","100","1","100","1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H30 Cl2 N4 Ni O4 -","- C12 H30 Cl2 N4 Ni O4 -","- C72 H180 Cl12 N24 Ni6 O24 -","6","0.333333","","Renaud Ruamps; Rémi Maurice; Luke Batchelor; Martial Boggio-Pasqua; Régis Guillot; Anne Laure Barra; Junjie Liu; El-Eulmi Bendeif; Sébastien Pillet; Stephen Hill; Talal Mallah; Nathalie Guihéry","Giant Ising-Type Magnetic Anisotropy in Trigonal Bipyramidal Ni(II) Complexes: Experiment and Theory","Journal of the American Chemical Society","2013","135","","3017","3026","10.1021/ja308146e","","x-ray","0.71069","MoKα","","0.0377","0.0249","","","0.0561","0.0609","","","","","","1.023","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119388","9.8155","0.0004","9.8155","0.0004","32.752","0.002","90","","90","","120","","2732.7","0.2","10","2","10","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H30 Cl2 N4 Ni O4 -","- C12 H30 Cl2 N4 Ni O4 -","- C72 H180 Cl12 N24 Ni6 O24 -","6","0.333333","","Renaud Ruamps; Rémi Maurice; Luke Batchelor; Martial Boggio-Pasqua; Régis Guillot; Anne Laure Barra; Junjie Liu; El-Eulmi Bendeif; Sébastien Pillet; Stephen Hill; Talal Mallah; Nathalie Guihéry","Giant Ising-Type Magnetic Anisotropy in Trigonal Bipyramidal Ni(II) Complexes: Experiment and Theory","Journal of the American Chemical Society","2013","135","","3017","3026","10.1021/ja308146e","","","0.71073","MoKα","","0.0271","0.0222","","","0.0469","0.0502","","","","","","1.098","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119389","14.678","0.003","18.363","0.004","20.78","0.005","85.364","0.003","84.223","0.003","76.651","0.003","5412","2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","Fe(II) Square with bptz and [BF4]-","tetrakis(3,6-bis(Pyrid-2-yl)-1,2,4,5-tetrazine-N,N',N'',N''')- octakis(acetonitrile-N)-tetrairon(II)-tetrafluoroborate clathrate heptakis(tetrafluoroborate)acetonitrile solvate","","- C64 H56 B8 F32 Fe4 N32 -","- C64 H56 B8 F32 Fe4 N32 -","- C128 H112 B16 F64 Fe8 N64 -","2","1","","Helen T. Chifotides; Ian D. Giles; Kim R. Dunbar","Supramolecular Architectures with π-Acidic 3,6-Bis(2-pyridyl)-1,2,4,5-tetrazine Cavities: Role of Anion-π Interactions in the Remarkable Stability of Fe(II) Metallacycles in Solution","Journal of the American Chemical Society","2013","135","","3039","3055","10.1021/ja3082473","","x-ray","0.71073","MoKα","","0.1748","0.0971","","","0.2478","0.2813","","","","","","0.899","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119390","11.824","0.011","37.92","0.04","34.12","0.03","90","","90","","90","","15298","3","163","2","163","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","pentakis(3,6-bis(pyrid-2-yl)-1,2,4,5-tetrazine-N,N',N'',N''') -decakis(acetonitrile-N)-pentairon(II)bis hexafluoroantimonate(V) clathrate octakis(hexafluoroantimonate(V)) acetonitrile solvate","","- C80 H70 F60 Fe5 N40 Sb10 -","- C80 H70 F60 Fe5 N40 Sb10 -","- C320 H280 F240 Fe20 N160 Sb40 -","4","0.5","","Helen T. Chifotides; Ian D. Giles; Kim R. Dunbar","Supramolecular Architectures with π-Acidic 3,6-Bis(2-pyridyl)-1,2,4,5-tetrazine Cavities: Role of Anion-π Interactions in the Remarkable Stability of Fe(II) Metallacycles in Solution","Journal of the American Chemical Society","2013","135","","3039","3055","10.1021/ja3082473","","x-ray","0.71073","MoKα","","0.2411","0.0857","","","0.1952","0.2404","","","","","","0.714","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119391","11.515","0.01","13.147","0.012","27.49","0.03","90","","91.924","0.013","90","","4159","7","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 N4 O4 -","- C54 H40 N4 O4 -","- C216 H160 N16 O16 -","4","1","","Sayaka Hatano; Takeru Horino; Atsuhiro Tokita; Toyoji Oshima; Jiro Abe","Unusual Negative Photochromism via a Short-Lived Imidazolyl Radical of 1,1'-Binaphthyl-Bridged Imidazole Dimer","Journal of the American Chemical Society","2013","135","","3164","3172","10.1021/ja311344u","","","0.71073","MoKα","","0.0578","0.0439","","","0.1122","0.1196","","","","","","1.075","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119392","10.4714","0.0018","11.641","0.002","17.271","0.003","97.528","0.002","90.858","0.002","111.83","0.002","1932.8","0.6","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H39 N5 O4 -","- C48 H39 N5 O4 -","- C96 H78 N10 O8 -","2","1","","Sayaka Hatano; Takeru Horino; Atsuhiro Tokita; Toyoji Oshima; Jiro Abe","Unusual Negative Photochromism via a Short-Lived Imidazolyl Radical of 1,1'-Binaphthyl-Bridged Imidazole Dimer","Journal of the American Chemical Society","2013","135","","3164","3172","10.1021/ja311344u","","","0.71073","MoKα","","0.0387","0.0339","","","0.0802","0.0839","","","","","","1.008","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119393","10.6446","0.0005","15.2136","0.0006","12.9366","0.0006","90","","96.4527","0.0014","90","","2081.72","0.16","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H32 I O P Pd -","- C19 H32 I O P Pd -","- C76 H128 I4 O4 P4 Pd4 -","4","1","","Signe Korsager; Rolf H. Taaning; Troels Skrydstrup","Effective Palladium-Catalyzed Hydroxycarbonylation of Aryl Halides with Substoichiometric Carbon Monoxide","Journal of the American Chemical Society","2013","135","","2891","2894","10.1021/ja3114032","","","0.71073","MoKα","","0.0578","0.0331","","","0.0543","0.0587","","","","","","0.964","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119394","7.0399","0.0003","10.5694","0.0003","27.6019","0.0009","90","","90","","90","","2053.79","0.12","173.1","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 Br2 N O2 -","- C19 H29 Br2 N O2 -","- C76 H116 Br8 N4 O8 -","4","1","","Takuya Nishimura; Aditya K. Unni; Satoshi Yokoshima; Tohru Fukuyama","Total Syntheses of Lyconadins A-C","Journal of the American Chemical Society","2013","135","","3243","3247","10.1021/ja312065m","","","1.54187","CuKα","","","0.0416","","","","0.1263","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119395","7.6495","0.0014","9.4852","0.0018","24.586","0.004","90","","90","","90","","1783.9","0.6","223","","223","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Br3 N O2 -","- C14 H18 Br3 N O2 -","- C56 H72 Br12 N4 O8 -","4","1","","Kimberly T. Barrett; Scott J. Miller","Enantioselective Synthesis of Atropisomeric Benzamides through Peptide-Catalyzed Bromination","Journal of the American Chemical Society","2013","135","","2963","2966","10.1021/ja400082x","","","0.71075","MoKα","","","0.0462","","","","0.1059","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119396","8.8546","0.0003","17.3446","0.0008","7.9641","0.0004","90","","99.077","0.004","90","","1207.81","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 F3 N O4 -","- C11 H10 F3 N O4 -","- C44 H40 F12 N4 O16 -","4","1","","Jian-Rong Gao; Hao Wu; Bin Xiang; Wu-Bin Yu; Liang Han; Yi-Xia Jia","Highly Enantioselective Construction of Trifluoromethylated All-Carbon Quaternary Stereocenters via Nickel-Catalyzed Friedel-Crafts Alkylation Reaction","Journal of the American Chemical Society","2013","135","","2983","2986","10.1021/ja400650m","","","0.71073","MoKα","","0.0598","0.0447","","","0.1008","0.1083","","","","","","1.058","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119397","10.5992","0.0007","14.6639","0.0006","21.9076","0.0009","90","","91.138","0.005","90","","3404.3","0.3","283","2","283","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H12 Br F3 N2 O2 -","- C17 H12 Br F3 N2 O2 -","- C136 H96 Br8 F24 N16 O16 -","8","4","","Jian-Rong Gao; Hao Wu; Bin Xiang; Wu-Bin Yu; Liang Han; Yi-Xia Jia","Highly Enantioselective Construction of Trifluoromethylated All-Carbon Quaternary Stereocenters via Nickel-Catalyzed Friedel-Crafts Alkylation Reaction","Journal of the American Chemical Society","2013","135","","2983","2986","10.1021/ja400650m","","","0.71073","MoKα","","0.1332","0.0593","","","0.1158","0.1516","","","","","","1.013","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119398","11.5077","0.0007","12.3057","0.0007","18.5852","0.0011","99.361","0.003","102.268","0.003","99.657","0.003","2481","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H78 Dy Li O6 Si4 -","- C40 H78 Dy Li O6 Si4 -","- C80 H156 Dy2 Li2 O12 Si8 -","2","1","","Jennifer J. Le Roy; Matthew Jeletic; Serge I. Gorelsky; Ilia Korobkov; Liviu Ungur; Liviu F. Chibotaru; Muralee Murugesu","An Organometallic Building Block Approach To Produce a Multidecker 4f Single-Molecule Magnet","Journal of the American Chemical Society","2013","135","","3502","3510","10.1021/ja310642h","","","0.71073","MoKα","","0.0199","0.0177","","","0.0467","0.0478","","","","","","1.025","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119399","16.8867","0.0005","16.8867","0.0005","20.1512","0.0006","90","","90","","90","","5746.3","0.3","200","2","200","2","","","","","","","","4","I -4","I -4","82","","","","- C42 H72 Dy2 Si6 -","- C42 H72 Dy2 Si6 -","- C168 H288 Dy8 Si24 -","4","0.5","","Jennifer J. Le Roy; Matthew Jeletic; Serge I. Gorelsky; Ilia Korobkov; Liviu Ungur; Liviu F. Chibotaru; Muralee Murugesu","An Organometallic Building Block Approach To Produce a Multidecker 4f Single-Molecule Magnet","Journal of the American Chemical Society","2013","135","","3502","3510","10.1021/ja310642h","","","0.71073","MoKα","","0.0395","0.0324","","","0.0827","0.0881","","","","","","1.048","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119400","16.9774","0.0004","16.9774","0.0004","20.0097","0.0006","90","","90","","90","","5767.4","0.3","200","2","200","2","","","","","","","","4","I -4","I -4","82","","","","- C42 H72 Gd2 Si6 -","- C42 H72 Gd2 Si6 -","- C168 H288 Gd8 Si24 -","4","0.5","","Jennifer J. Le Roy; Matthew Jeletic; Serge I. Gorelsky; Ilia Korobkov; Liviu Ungur; Liviu F. Chibotaru; Muralee Murugesu","An Organometallic Building Block Approach To Produce a Multidecker 4f Single-Molecule Magnet","Journal of the American Chemical Society","2013","135","","3502","3510","10.1021/ja310642h","","","0.71073","MoKα","","0.0263","0.0256","","","0.0755","0.0761","","","","","","1.032","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119401","19.0597","0.0007","9.1733","0.0004","15.7972","0.001","90","","121.845","0.001","90","","2346.2","0.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H23 F6 Fe N3 P2 -","- C20 H23 F6 Fe N3 P2 -","- C80 H92 F24 Fe4 N12 P8 -","4","1","","Erika R. Bartholomew; Emily C. Volpe; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari","Selective Extraction of N2 from Air by Diarylimine Iron Complexes","Journal of the American Chemical Society","2013","135","","3511","3527","10.1021/ja311021u","","","0.71073","MoKα","","0.0434","0.0364","","","0.0815","0.0858","","","","","","1.024","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119402","10.6916","0.0009","8.1275","0.0007","26.737","0.002","90","","100.653","0.004","90","","2283.3","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Cl F6 Fe N P2 -","- C20 H23 Cl F6 Fe N P2 -","- C80 H92 Cl4 F24 Fe4 N4 P8 -","4","1","","Erika R. Bartholomew; Emily C. Volpe; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari","Selective Extraction of N2 from Air by Diarylimine Iron Complexes","Journal of the American Chemical Society","2013","135","","3511","3527","10.1021/ja311021u","","","0.71073","MoKα","","0.0528","0.037","","","0.0903","0.1004","","","","","","1.023","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119403","6.3709","0.0008","12.5855","0.0016","16.038","0.002","90","","90","","90","","1285.9","0.3","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cl N3 O -","- C13 H14 Cl N3 O -","- C52 H56 Cl4 N12 O4 -","4","1","","Bin Liu; Kang-Nan Li; Shi-Wei Luo; Jian-Zhou Huang; Huan Pang; Liu-Zhu Gong","Chiral Gold Complex-Catalyzed Hetero-Diels-Alder Reaction of Diazenes: Highly Enantioselective and General for Dienes","Journal of the American Chemical Society","2013","135","","3323","3326","10.1021/ja3110472","","","0.71073","MoKα","","0.0518","0.037","","","0.0738","0.0788","","","","","","1.072","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119404","5.437","0.0001","8.4944","0.0003","34.8951","0.001","90","","90","","90","","1611.6","0.08","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Cl N3 O2 -","- C15 H20 Cl N3 O2 -","- C60 H80 Cl4 N12 O8 -","4","1","","Bin Liu; Kang-Nan Li; Shi-Wei Luo; Jian-Zhou Huang; Huan Pang; Liu-Zhu Gong","Chiral Gold Complex-Catalyzed Hetero-Diels-Alder Reaction of Diazenes: Highly Enantioselective and General for Dienes","Journal of the American Chemical Society","2013","135","","3323","3326","10.1021/ja3110472","","","1.54184","CuKα","","0.0417","0.0367","","","0.0915","0.0963","","","","","","1.057","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119405","10.79","0.0004","10.1646","0.0004","16.7717","0.0007","90","","105.078","0.002","90","","1776.13","0.12","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N5 O6 -","- C17 H17 N5 O6 -","- C68 H68 N20 O24 -","4","2","","Rohit Tiwari; Garrett C. Moraski; Viktor Krchňák; Patricia A. Miller; Mariangelli Colon-Martinez; Eliza Herrero; Allen G. Oliver; Marvin J. Miller","Thiolates Chemically Induce Redox Activation of BTZ043 and Related Potent Nitroaromatic Anti-Tuberculosis Agents","Journal of the American Chemical Society","2013","135","","3539","3549","10.1021/ja311058q","","","1.54184","CuKα","","0.0378","0.0354","","","0.0943","0.0961","","","","","","1.038","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119406","9.669","0.0001","8.0666","0.0001","20.783","0.0003","90","","90.604","0.001","90","","1620.9","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C64 H72 N16 O24 -","4","2","","Rohit Tiwari; Garrett C. Moraski; Viktor Krchňák; Patricia A. Miller; Mariangelli Colon-Martinez; Eliza Herrero; Allen G. Oliver; Marvin J. Miller","Thiolates Chemically Induce Redox Activation of BTZ043 and Related Potent Nitroaromatic Anti-Tuberculosis Agents","Journal of the American Chemical Society","2013","135","","3539","3549","10.1021/ja311058q","","","1.54184","CuKα","","0.0406","0.0393","","","0.11","0.1116","","","","","","1.051","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119407","12.3748","0.0006","15.7804","0.0007","17.1069","0.0008","102.889","0.001","108.206","0.001","111.65","0.001","2724.4","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H69 Cl3 N2 O Ru S -","- C61 H69 Cl3 N2 O Ru S -","- C122 H138 Cl6 N4 O2 Ru2 S2 -","2","1","","Giovanni Occhipinti; Fredrik R. Hansen; Karl W. Törnroos; Vidar R. Jensen","Simple and Highly Z-Selective Ruthenium-Based Olefin Metathesis Catalyst","Journal of the American Chemical Society","2013","135","","3331","3334","10.1021/ja311505v","","","0.71073","MoKα","","0.0424","0.0399","","","0.1099","0.1121","","","","","","1.069","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119408","24.991","0.005","19.99","0.005","20.615","0.005","90","","118.485","0.019","90","","9052","4","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","(SiNN)Ir(H)(Bpin)2","","","- C35 H52 B2 Ir N2 O4 Si -","- C35 H52 B2 Ir N2 O4 Si -","- C280 H416 B16 Ir8 N16 O32 Si8 -","8","1","","Chun-I Lee; Jia Zhou; Oleg V. Ozerov","Catalytic Dehydrogenative Borylation of Terminal Alkynes by a SiNN Pincer Complex of Iridium","Journal of the American Chemical Society","2013","135","","3560","3566","10.1021/ja311682c","","","1.54178","CuKα","","0.0508","0.0345","","","0.0789","0.0829","","","","","","0.966","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119409","13.2159","0.0015","7.3532","0.0009","28.509","0.003","90","","99.135","0.006","90","","2735.3","0.5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(SiNN)Ir(H)(COE)","","","- C31 H42 Ir N2 Si -","- C31 H42 Ir N2 Si -","- C124 H168 Ir4 N8 Si4 -","4","1","","Chun-I Lee; Jia Zhou; Oleg V. Ozerov","Catalytic Dehydrogenative Borylation of Terminal Alkynes by a SiNN Pincer Complex of Iridium","Journal of the American Chemical Society","2013","135","","3560","3566","10.1021/ja311682c","","","1.54178","CuKα","","0.0395","0.0301","","","0.0734","0.0804","","","","","","1.091","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119410","8.0513","0.0004","10.417","0.0006","19.4576","0.001","90","","90","","90","","1631.92","0.15","293","2","293","2","","","","","","","","4","P 21 1 1","P 2xa","4","","","","- C11 H10 N0 O2 -","- C9.14286 H16 N1.14286 O1.71429 -","- C64 H112 N8 O12 -","7","3.5","","Soham Maity; Srimanta Manna; Sujoy Rana; Togati Naveen; Arijit Mallick; Debabrata Maiti","Efficient and Stereoselective Nitration of Mono- and Disubstituted Olefins with AgNO2 and TEMPO","Journal of the American Chemical Society","2013","135","","3355","3358","10.1021/ja311942e","","","0.71073","MoKα","","0.0658","0.0532","","","0.1328","0.1451","","","","","","1.156","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119411","13.1343","0.0005","8.428","0.0004","22.6288","0.001","90","","95.78","0.002","90","","2492.18","0.19","101","2","101","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 Cl2 N6 -","- C27 H22 Cl2 N6 -","- C108 H88 Cl8 N24 -","4","1","","Govindasamy Jayamurugan; Oliver Dumele; Jean-Paul Gisselbrecht; Corinne Boudon; W. Bernd Schweizer; Bruno Bernet; François Diederich","Expanding the Chemical Structure Space of Opto-Electronic Molecular Materials: Unprecedented Push-Pull Chromophores by Reaction of a Donor-Substituted Tetracyanofulvene with Electron-Rich Alkynes","Journal of the American Chemical Society","2013","135","","3599","3606","10.1021/ja312084s","","","0.71073","MoKα","","0.0716","0.0399","","","0.0928","0.1048","","","","","","1.111","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119412","16.0228","0.0011","16.8314","0.0011","17.8423","0.0011","80.594","0.002","81.1","0.003","80.25","0.002","4638.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36.33333 H31.33333 Cl N7 -","- C36.3333 H31.3333 Cl N7 -","- C218 H188 Cl6 N42 -","6","3","","Govindasamy Jayamurugan; Oliver Dumele; Jean-Paul Gisselbrecht; Corinne Boudon; W. Bernd Schweizer; Bruno Bernet; François Diederich","Expanding the Chemical Structure Space of Opto-Electronic Molecular Materials: Unprecedented Push-Pull Chromophores by Reaction of a Donor-Substituted Tetracyanofulvene with Electron-Rich Alkynes","Journal of the American Chemical Society","2013","135","","3599","3606","10.1021/ja312084s","","","0.71073","MoKα","","0.123","0.064","","","0.1553","0.1828","","","","","","1.121","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119413","10.6434","0.0006","13.6284","0.0008","14.488","0.0009","79.959","0.003","84.754","0.003","88.332","0.003","2060.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H44 Cl2 N8 -","- C47 H44 Cl2 N8 -","- C94 H88 Cl4 N16 -","2","1","","Govindasamy Jayamurugan; Oliver Dumele; Jean-Paul Gisselbrecht; Corinne Boudon; W. Bernd Schweizer; Bruno Bernet; François Diederich","Expanding the Chemical Structure Space of Opto-Electronic Molecular Materials: Unprecedented Push-Pull Chromophores by Reaction of a Donor-Substituted Tetracyanofulvene with Electron-Rich Alkynes","Journal of the American Chemical Society","2013","135","","3599","3606","10.1021/ja312084s","","","0.71073","MoKα","","0.0784","0.0466","","","0.1082","0.1184","","","","","","1.302","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119414","10.8943","0.0004","14.1475","0.0006","19.8825","0.0008","90","","103.698","0.002","90","","2977.3","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 N7 -","- C36 H31 N7 -","- C144 H124 N28 -","4","1","","Govindasamy Jayamurugan; Oliver Dumele; Jean-Paul Gisselbrecht; Corinne Boudon; W. Bernd Schweizer; Bruno Bernet; François Diederich","Expanding the Chemical Structure Space of Opto-Electronic Molecular Materials: Unprecedented Push-Pull Chromophores by Reaction of a Donor-Substituted Tetracyanofulvene with Electron-Rich Alkynes","Journal of the American Chemical Society","2013","135","","3599","3606","10.1021/ja312084s","","","0.71073","MoKα","","0.0948","0.0494","","","0.1212","0.1471","","","","","","0.875","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119415","15.2956","0.0009","19.8622","0.001","19.6049","0.0009","90","","93.109","0.002","90","","5947.3","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C72 H72 N8 -","- C72 H72 N8 -","- C288 H288 N32 -","4","1","","Govindasamy Jayamurugan; Oliver Dumele; Jean-Paul Gisselbrecht; Corinne Boudon; W. Bernd Schweizer; Bruno Bernet; François Diederich","Expanding the Chemical Structure Space of Opto-Electronic Molecular Materials: Unprecedented Push-Pull Chromophores by Reaction of a Donor-Substituted Tetracyanofulvene with Electron-Rich Alkynes","Journal of the American Chemical Society","2013","135","","3599","3606","10.1021/ja312084s","","","0.71073","MoKα","","0.1604","0.0776","","","0.1832","0.2165","","","","","","1.172","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119416","9.7046","0.0012","10.8049","0.0013","14.9013","0.0018","72.033","0.002","72.101","0.002","72.389","0.002","1376.6","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 F3 N3 O5 -","- C28 H34 F3 N3 O5 -","- C56 H68 F6 N6 O10 -","2","1","","Junyong Jo; András Olasz; Chun-Hsing Chen; Dongwhan Lee","Interdigitated Hydrogen Bonds: Electrophile Activation for Covalent Capture and Fluorescence Turn-On Detection of Cyanide","Journal of the American Chemical Society","2013","135","","3620","3632","10.1021/ja312313f","","","0.71073","MoKα","","0.1084","0.0792","","0.2609","0.1977","0.2609","","","","","","0.9979","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119417","22.1316","0.0004","30.883","0.0006","45.3137","0.0009","90","","90","","90","","30971.5","1","153","","153","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C234 H449 N O72 Si14 -","- C234 H445 N O72 Si14 -","- C936 H1780 N4 O288 Si56 -","4","0.5","","Toshiyuki Kida; Takuya Iwamoto; Haruyasu Asahara; Tomoaki Hinoue; Mitsuru Akashi","Chiral Recognition and Kinetic Resolution of Aromatic Amines via Supramolecular Chiral Nanocapsules in Nonpolar Solvents","Journal of the American Chemical Society","2013","135","","3371","3374","10.1021/ja312367k","","","1.54187","CuKα","","","0.0991","","","","0.3106","","","","","","1.066","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119418","11.7211","0.0013","11.911","0.0013","20.406","0.002","77.712","0.001","74.321","0.001","67.388","0.001","2512.9","0.5","178","2","178","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H51 Fe2 O2 P4 S2 -","- C57 H51 Fe2 O2 P4 S2 -","- C114 H102 Fe4 O4 P8 S4 -","2","1","","Wenguang Wang; Mark J. Nilges; Thomas B. Rauchfuss; Matthias Stein","Isolation of a Mixed Valence Diiron Hydride: Evidence for a Spectator Hydride in Hydrogen Evolution Catalysis","Journal of the American Chemical Society","2013","135","","3633","3639","10.1021/ja312458f","","","0.71073","MoKα","","0.0525","0.0358","","","0.0751","0.0831","","","","","","1.017","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119419","5.2969","0.0002","5.2969","0.0002","12.839","0.0008","90","","90","","90","","360.23","0.03","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- Co3 H2 O10 S2 -","- Co3 H2 O10 S2 -","- Co6 H4 O20 S4 -","2","0.0625","","Chinmayee V. Subban; Mohamed Ati; Gwenaëlle Rousse; Artem M. Abakumov; Gustaaf Van Tendeloo; Raphaël Janot; Jean-Marie Tarascon","Preparation, Structure, and Electrochemistry of Layered Polyanionic Hydroxysulfates: LiMSO4OH (M = Fe, Co, Mn) Electrodes for Li-Ion Batteries","Journal of the American Chemical Society","2013","135","","3653","3661","10.1021/ja3125492","powder diffraction","","","x-ray","","","","","","","","","9.1957","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"4119420","5.293","0.0003","5.293","0.0003","13.0851","0.0011","90","","90","","90","","366.59","0.04","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- Fe3 H2 O10 S2 -","- Fe3 H2 O10 S2 -","- Fe6 H4 O20 S4 -","2","0.0625","","Chinmayee V. Subban; Mohamed Ati; Gwenaëlle Rousse; Artem M. Abakumov; Gustaaf Van Tendeloo; Raphaël Janot; Jean-Marie Tarascon","Preparation, Structure, and Electrochemistry of Layered Polyanionic Hydroxysulfates: LiMSO4OH (M = Fe, Co, Mn) Electrodes for Li-Ion Batteries","Journal of the American Chemical Society","2013","135","","3653","3661","10.1021/ja3125492","powder diffraction","","","x-ray","","","","","","","","","74.9612","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"4119421","9.58423","0.00008","5.42606","0.00004","7.32399","0.00006","90","","109.7","0.0006","90","","358.588","0.005","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Co H Li O5 S -","- Co H Li O5 S -","- Co4 H4 Li4 O20 S4 -","4","1","","Chinmayee V. Subban; Mohamed Ati; Gwenaëlle Rousse; Artem M. Abakumov; Gustaaf Van Tendeloo; Raphaël Janot; Jean-Marie Tarascon","Preparation, Structure, and Electrochemistry of Layered Polyanionic Hydroxysulfates: LiMSO4OH (M = Fe, Co, Mn) Electrodes for Li-Ion Batteries","Journal of the American Chemical Society","2013","135","","3653","3661","10.1021/ja3125492","powder diffraction","","","x-ray","","","","","","","","","3.5304","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119422","9.51472","0.00008","5.5087","0.00004","7.37548","0.00006","90","","109.109","0.0006","90","","365.276","0.005","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Fe H Li O5 S -","- Fe H Li O5 S -","- Fe4 H4 Li4 O20 S4 -","4","1","","Chinmayee V. Subban; Mohamed Ati; Gwenaëlle Rousse; Artem M. Abakumov; Gustaaf Van Tendeloo; Raphaël Janot; Jean-Marie Tarascon","Preparation, Structure, and Electrochemistry of Layered Polyanionic Hydroxysulfates: LiMSO4OH (M = Fe, Co, Mn) Electrodes for Li-Ion Batteries","Journal of the American Chemical Society","2013","135","","3653","3661","10.1021/ja3125492","powder diffraction","neutron","1.59422","ConstantWavelengthNeutronDiffraction","","","","","","","","","1.2778","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119423","9.61558","0.00014","5.55861","0.00008","7.54648","0.0001","90","","109.505","0.0011","90","","380.207","0.01","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H Li Mn O5 S -","- H Li Mn O5 S -","- H4 Li4 Mn4 O20 S4 -","4","1","","Chinmayee V. Subban; Mohamed Ati; Gwenaëlle Rousse; Artem M. Abakumov; Gustaaf Van Tendeloo; Raphaël Janot; Jean-Marie Tarascon","Preparation, Structure, and Electrochemistry of Layered Polyanionic Hydroxysulfates: LiMSO4OH (M = Fe, Co, Mn) Electrodes for Li-Ion Batteries","Journal of the American Chemical Society","2013","135","","3653","3661","10.1021/ja3125492","powder diffraction","neutron","1.59422","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.1509","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119424","13.898","0.005","32.238","0.017","8.756","0.004","90","","127.814","0.019","90","","3099","3","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H30 B N S -","- C31 H30 B N S -","- C124 H120 B4 N4 S4 -","4","1","","Ying-Li Rao; Hazem Amarne; Leanne D. Chen; Matthew L. Brown; Nicholas J. Mosey; Suning Wang","Photo- and Thermal-Induced Multistructural Transformation of 2-Phenylazolyl Chelate Boron Compounds","Journal of the American Chemical Society","2013","135","","3407","3410","10.1021/ja400917r","","","0.71073","MoKα","","0.1171","0.071","","","0.1597","0.1777","","","","","","0.927","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119425","8.6","0.0012","10.6067","0.0015","14.2","0.002","87.273","0.002","83.391","0.002","75.733","0.002","1246.8","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 B N S -","- C31 H30 B N S -","- C62 H60 B2 N2 S2 -","2","1","","Ying-Li Rao; Hazem Amarne; Leanne D. Chen; Matthew L. Brown; Nicholas J. Mosey; Suning Wang","Photo- and Thermal-Induced Multistructural Transformation of 2-Phenylazolyl Chelate Boron Compounds","Journal of the American Chemical Society","2013","135","","3407","3410","10.1021/ja400917r","","","0.71073","MoKα","","0.0917","0.0528","","","0.124","0.1426","","","","","","1.034","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119426","17.753","0.004","7.8595","0.0012","16.398","0.002","90","","93.213","0.011","90","","2284.4","0.7","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 B N S -","- C28 H30 B N S -","- C112 H120 B4 N4 S4 -","4","1","","Ying-Li Rao; Hazem Amarne; Leanne D. Chen; Matthew L. Brown; Nicholas J. Mosey; Suning Wang","Photo- and Thermal-Induced Multistructural Transformation of 2-Phenylazolyl Chelate Boron Compounds","Journal of the American Chemical Society","2013","135","","3407","3410","10.1021/ja400917r","","","0.71073","MoKα","","0.1441","0.077","","","0.1807","0.2195","","","","","","1.006","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119427","8.2008","0.0007","9.0915","0.0006","32.588","0.002","90","","90","","90","","2429.7","0.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 B N O -","- C31 H30 B N O -","- C124 H120 B4 N4 O4 -","4","1","","Ying-Li Rao; Hazem Amarne; Leanne D. Chen; Matthew L. Brown; Nicholas J. Mosey; Suning Wang","Photo- and Thermal-Induced Multistructural Transformation of 2-Phenylazolyl Chelate Boron Compounds","Journal of the American Chemical Society","2013","135","","3407","3410","10.1021/ja400917r","","","0.71073","MoKα","","0.2027","0.087","","","0.1956","0.2518","","","","","","0.997","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119428","19.6929","0.0009","12.2836","0.0006","24.709","0.0011","90","","90","","90","","5977.1","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H34 B Cl4 N6 O3 V -","- C26 H34 B Cl4 N6 O3 V -","- C208 H272 B8 Cl32 N48 O24 V8 -","8","1","","Oscar Tutusaus; Chengbao Ni; Nathaniel K. Szymczak","A Transition Metal Lewis Acid/Base Triad System for Cooperative Substrate Binding","Journal of the American Chemical Society","2013","135","","3403","3406","10.1021/ja400962h","","","1.54178","Cu-Kα","","0.0505","0.0342","","","0.0774","0.0835","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119429","9.9622","0.0002","13.7898","0.0003","12.3782","0.0009","90","","90.201","0.006","90","","1700.47","0.13","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl3 N3 V -","- C17 H15 Cl3 N3 V -","- C68 H60 Cl12 N12 V4 -","4","1","","Oscar Tutusaus; Chengbao Ni; Nathaniel K. Szymczak","A Transition Metal Lewis Acid/Base Triad System for Cooperative Substrate Binding","Journal of the American Chemical Society","2013","135","","3403","3406","10.1021/ja400962h","","","1.54178","CuKα","","0.0476","0.0468","","","0.131","0.1319","","","","","","1.088","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119430","16.0168","0.0015","15.2431","0.0013","14.3426","0.0013","90","","106.01","0.007","90","","3365.9","0.5","85","2","85","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 B Cl7 N4 O3 V -","- C27 H33 B Cl7 N4 O3 V -","- C108 H132 B4 Cl28 N16 O12 V4 -","4","1","","Oscar Tutusaus; Chengbao Ni; Nathaniel K. Szymczak","A Transition Metal Lewis Acid/Base Triad System for Cooperative Substrate Binding","Journal of the American Chemical Society","2013","135","","3403","3406","10.1021/ja400962h","","","1.54187","CuKα","","0.0608","0.0505","","","0.1164","0.1227","","","","","","1.064","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119431","11.033","0.002","18.799","0.004","19.225","0.004","110.795","0.002","101.385","0.003","97.09","0.003","3571.9","1.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H81 Al F24 O4 P -","- C61 H81 Al F24 O4 P -","- C122 H162 Al2 F48 O8 P2 -","2","1","","Xiaobo Pan; Xiaoyu Chen; Tao Li; Yizhi Li; Xinping Wang","Isolation and X-ray Crystal Structures of Triarylphosphine Radical Cations","Journal of the American Chemical Society","2013","135","","3414","3417","10.1021/ja4012113","","","0.71073","MoKα","","0.1117","0.0562","","","0.1384","0.1472","","","","","","1.052","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119432","11.225","0.0013","12.0227","0.0017","28.2128","0.0012","90","","90.458","0.003","90","","3807.3","0.7","123","2","123","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C61 H69 Al F36 O4 P -","- C61 H69 Al F36 O4 P -","- C122 H138 Al2 F72 O8 P2 -","2","1","","Xiaobo Pan; Xiaoyu Chen; Tao Li; Yizhi Li; Xinping Wang","Isolation and X-ray Crystal Structures of Triarylphosphine Radical Cations","Journal of the American Chemical Society","2013","135","","3414","3417","10.1021/ja4012113","","","0.71073","MoKα","","0.0906","0.0542","","","0.1367","0.1423","","","","","","1.032","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119433","14.1829","0.0011","15.8349","0.0015","16.8039","0.0017","115.01","0.002","108.115","0.003","94.478","0.002","3152.9","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H57 Al F36 O4 P -","- C55 H57 Al F36 O4 P -","- C110 H114 Al2 F72 O8 P2 -","2","1","","Xiaobo Pan; Xiaoyu Chen; Tao Li; Yizhi Li; Xinping Wang","Isolation and X-ray Crystal Structures of Triarylphosphine Radical Cations","Journal of the American Chemical Society","2013","135","","3414","3417","10.1021/ja4012113","","","0.71073","MoKα","","0.0711","0.0589","","","0.1396","0.1425","","","","","","1.023","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119434","10.0401","0.0013","16.806","0.0015","21.5873","0.0014","90","","98.712","0.003","90","","3600.5","0.6","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H57 P -","- C39 H57 P -","- C156 H228 P4 -","4","1","","Xiaobo Pan; Xiaoyu Chen; Tao Li; Yizhi Li; Xinping Wang","Isolation and X-ray Crystal Structures of Triarylphosphine Radical Cations","Journal of the American Chemical Society","2013","135","","3414","3417","10.1021/ja4012113","","","0.71073","MoKα","","0.0747","0.0615","","","0.1506","0.1527","","","","","","1.017","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119435","13.1739","0.0012","13.1739","0.0012","23.54","0.002","90","","90","","120","","3538.1","0.5","123","2","123","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C45 H69 F6 P Sb -","- C45 H69 F6 P Sb -","- C135 H207 F18 P3 Sb3 -","3","0.333333","","Xiaobo Pan; Xiaoyu Chen; Tao Li; Yizhi Li; Xinping Wang","Isolation and X-ray Crystal Structures of Triarylphosphine Radical Cations","Journal of the American Chemical Society","2013","135","","3414","3417","10.1021/ja4012113","","","0.71073","MoKα","","0.0541","0.0498","","","0.1208","0.1221","","","","","","1.078","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119436","23.0819","0.0019","11.4752","0.0009","20.2403","0.0016","90","","93.26","0.002","90","","5352.4","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H48 P4 Pt -","- C68 H48 P4 Pt -","- C272 H192 P16 Pt4 -","4","0.5","","Sarah E. Lindahl; Hyunsoo Park; Maren Pink; Jeffrey M. Zaleski","Utilizing Redox-Mediated Bergman Cyclization toward the Development of Dual-Action Metalloenediyne Therapeutics","Journal of the American Chemical Society","2013","135","","3826","3833","10.1021/ja308190q","","x-ray","0.71073","MoKα","","0.0568","0.036","","","0.0592","0.0649","","","","","","1.002","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119437","12.8186","0.0015","17.1433","0.0018","16.8761","0.0019","90","","97.745","0.002","90","","3674.7","0.7","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 Cl2 D2 I4 P2 Pt -","- C35 H26 Cl2 I4 P2 Pt -","- C140 H104 Cl8 I16 P8 Pt4 -","4","1","","Sarah E. Lindahl; Hyunsoo Park; Maren Pink; Jeffrey M. Zaleski","Utilizing Redox-Mediated Bergman Cyclization toward the Development of Dual-Action Metalloenediyne Therapeutics","Journal of the American Chemical Society","2013","135","","3826","3833","10.1021/ja308190q","","","0.71073","MoKα","","0.0457","0.0328","","","0.0801","0.0863","","","","","","1.09","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119438","35.5323","0.0004","13.0648","0.0001","26.9654","0.0002","90","","92.584","0.001","90","","12505.2","0.19","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C122 H126 N22 O4 Sm2 U2 -","- C122 H126 N22 O4 Sm2 U2 -","- C488 H504 N88 O16 Sm8 U8 -","4","0.5","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.0415","0.0305","","","0.075","0.0788","","","","","","1.063","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119439","15.7483","0.0006","18.0491","0.0008","19.3912","0.0007","65.355","0.004","87.645","0.003","87.339","0.003","5002.9","0.4","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C109 H105 N21 O4 U2 Yb2 -","- C109 H105 N21 O4 U2 Yb2 -","- C218 H210 N42 O8 U4 Yb4 -","2","1","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.0886","0.0545","","","0.1316","0.1394","","","","","","0.933","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119440","27.8826","0.0003","27.8826","0.0003","19.9897","0.0004","90","","90","","90","","15540.8","0.4","170","2","170","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C77 H75 Cl Li N15 O2 Sm U -","- C77 H75 Cl Li N15 O2 Sm U -","- C616 H600 Cl8 Li8 N120 O16 Sm8 U8 -","8","1","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.073","0.0654","","","0.1612","0.1653","","","","","","1.067","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119441","16.583","0.0004","27.512","0.0005","23.2171","0.0006","90","","108.585","0.003","90","","10040","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C109 H105 Ce2 N21 O4 U2 -","- C109 H105 Ce2 N21 O4 U2 -","- C436 H420 Ce8 N84 O16 U8 -","4","1","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.1004","0.0527","","","0.1224","0.1289","","","","","","0.993","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119442","27.7905","0.0004","27.7905","0.0004","20.0281","0.0005","90","","90","","90","","15467.9","0.5","170","2","170","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C82 H80 Cl Li N16 O2 U Y -","- C82 H80 Cl Li N16 O2 U Y -","- C656 H640 Cl8 Li8 N128 O16 U8 Y8 -","8","1","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.1011","0.0539","","","0.0977","0.119","","","","","","1.06","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119443","15.1951","0.0006","16.284","0.0008","26.5859","0.0008","96.358","0.003","97.314","0.003","102.638","0.004","6301.1","0.5","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H143 N16 O12 Sm2 U2 -","- C116 H143 N16 O12 Sm2 U2 -","- C232 H286 N32 O24 Sm4 U4 -","2","1","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.1411","0.0661","","","0.1164","0.1427","","","","","","0.899","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119444","16.405","0.003","27.544","0.003","23.131","0.005","90","","108.32","0.02","90","","9922","3","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C109 H105 Dy2 N21 O4 U2 -","- C109 H105 Dy2 N21 O4 U2 -","- C436 H420 Dy8 N84 O16 U8 -","4","1","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.0725","0.0437","","","0.0753","0.0915","","","","","","1.079","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119445","17.446","0.005","15.118","0.005","20.619","0.005","90","0.005","110.428","0.005","90","0.005","5096","3","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H110 N22 O4 Sc2 U2 -","- C114 H110 N22 O4 Sc2 U2 -","- C228 H220 N44 O8 Sc4 U4 -","2","0.5","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.0408","0.0265","","","0.0538","0.0588","","","","","","1.038","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119446","17.5714","0.0007","15.1648","0.0004","20.6389","0.0009","90","","110.56","0.004","90","","5149.3","0.4","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H110 Lu2 N22 O4 U2 -","- C114 H110 Lu2 N22 O4 U2 -","- C228 H220 Lu4 N44 O8 U4 -","2","0.5","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.0393","0.0297","","","0.068","0.0745","","","","","","1.16","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119447","16.3807","0.0003","27.5419","0.0004","23.0385","0.0004","90","","108.055","0.002","90","","9882.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C109 H105 Er2 N21 O4 U2 -","- C109 H105 Er2 N21 O4 U2 -","- C436 H420 Er8 N84 O16 U8 -","4","1","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.0647","0.039","","","0.0727","0.0826","","","","","","1.074","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119448","16.455","0.0005","27.5854","0.0007","23.112","0.0006","90","","108.125","0.003","90","","9970.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C109 H105 Eu2 N21 O4 U2 -","- C109 H105 Eu2 N21 O4 U2 -","- C436 H420 Eu8 N84 O16 U8 -","4","1","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.0707","0.0298","","","0.0424","0.0444","","","","","","0.745","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119449","7.6433","0.0008","19.887","0.002","22.256","0.003","90","","90","","90","","3383","0.7","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br O3 -","- C18 H15 Br O3 -","- C144 H120 Br8 O24 -","8","2","","Keiji Mori; Yuki Ichikawa; Manato Kobayashi; Yukihiro Shibata; Masahiro Yamanaka; Takahiko Akiyama","Enantioselective Synthesis of Multisubstituted Biaryl Skeleton by Chiral Phosphoric Acid Catalyzed Desymmetrization/Kinetic Resolution Sequence","Journal of the American Chemical Society","2013","135","","3964","3970","10.1021/ja311902f","","","0.71073","MoKα","","0.0606","0.0503","","","0.1548","0.1615","","","","","","1.108","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119450","7.6643","0.0007","24.652","0.002","10.9316","0.001","90","","110.313","0.001","90","","1937","0.3","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20.5 H20.5 Br O3 -","- C22 H24 Br O3 -","- C88 H96 Br4 O12 -","4","2","","Keiji Mori; Yuki Ichikawa; Manato Kobayashi; Yukihiro Shibata; Masahiro Yamanaka; Takahiko Akiyama","Enantioselective Synthesis of Multisubstituted Biaryl Skeleton by Chiral Phosphoric Acid Catalyzed Desymmetrization/Kinetic Resolution Sequence","Journal of the American Chemical Society","2013","135","","3964","3970","10.1021/ja311902f","","","0.71073","MoKα","","0.0406","0.0336","","","0.0754","0.0774","","","","","","1.01","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119451","10.078","0.004","10.294","0.004","15.787","0.006","73.466","0.004","73.382","0.004","82.855","0.004","1502.8","1","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C37 H27 Br O5 -","- C37 H27 Br O5 -","- C74 H54 Br2 O10 -","2","2","","Keiji Mori; Yuki Ichikawa; Manato Kobayashi; Yukihiro Shibata; Masahiro Yamanaka; Takahiko Akiyama","Enantioselective Synthesis of Multisubstituted Biaryl Skeleton by Chiral Phosphoric Acid Catalyzed Desymmetrization/Kinetic Resolution Sequence","Journal of the American Chemical Society","2013","135","","3964","3970","10.1021/ja311902f","","","0.71073","MoKα","","0.0605","0.0454","","","0.1002","0.1058","","","","","","0.983","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119452","8.6265","0.0018","19.609","0.004","22.208","0.005","90","","90.633","0.003","90","","3756.4","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H60 Ir N4 Si -","- C39 H58 Ir N4 Si -","- C156 H232 Ir4 N16 Si4 -","4","1","","Daniel Sieh; Peter Burger","Si-H Activation in an Iridium Nitrido Complex-A Mechanistic and Theoretical Study","Journal of the American Chemical Society","2013","135","","3971","3982","10.1021/ja311905h","","","0.71073","MoKα","","0.0826","0.0683","","","0.1365","0.1432","","","","","","1.153","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119453","17.9762","0.0012","21.7959","0.0015","23.8077","0.0016","90","","93.523","0.002","90","","9310.4","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H58 F3 Ir N4 Si -","- C52 H58 F3 Ir N4 Si -","- C416 H464 F24 Ir8 N32 Si8 -","8","2","","Daniel Sieh; Peter Burger","Si-H Activation in an Iridium Nitrido Complex-A Mechanistic and Theoretical Study","Journal of the American Chemical Society","2013","135","","3971","3982","10.1021/ja311905h","","","0.71073","MoKα","","0.1137","0.0707","","","0.1535","0.1768","","","","","","1.183","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119454","15.1165","0.0005","14.0913","0.0005","18.6829","0.0006","90","","104.79","","90","","3847.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H57 Ir N4 Si -","- C39 H57 Ir N4 Si -","- C156 H228 Ir4 N16 Si4 -","4","1","","Daniel Sieh; Peter Burger","Si-H Activation in an Iridium Nitrido Complex-A Mechanistic and Theoretical Study","Journal of the American Chemical Society","2013","135","","3971","3982","10.1021/ja311905h","","","0.71073","MoKα","","0.0598","0.0375","","","0.0797","0.0937","","","","","","1.054","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119455","8.966","0.003","10.032","0.004","11.215","0.004","74.336","0.005","72.466","0.005","65.955","0.004","865.8","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Cu N6 O2.5 -","- C18 H21 Cu N6 O2.5 -","- C36 H42 Cu2 N12 O5 -","2","1","","Mario Wriedt; Andrey A. Yakovenko; Gregory J. Halder; Andrey V. Prosvirin; Kim R. Dunbar; Hong-Cai Zhou","Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System","Journal of the American Chemical Society","2013","135","","4040","4050","10.1021/ja312347p","","","0.71073","MoKα","","0.0991","0.0589","","","0.1218","0.1399","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119456","19.529","0.009","10.884","0.004","19.479","0.007","90","","108.276","0.007","90","","3931","3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Cu N6 O2 -","- C15 H14 Cu N6 O2 -","- C120 H112 Cu8 N48 O16 -","8","1","","Mario Wriedt; Andrey A. Yakovenko; Gregory J. Halder; Andrey V. Prosvirin; Kim R. Dunbar; Hong-Cai Zhou","Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System","Journal of the American Chemical Society","2013","135","","4040","4050","10.1021/ja312347p","","","0.71073","MoKα","","0.0515","0.0394","","","0.0827","0.0871","","","","","","1.004","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119457","21.663","0.007","23.202","0.007","12.786","0.004","90","","113.847","0.006","90","","5878","3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Cu N6 O2 -","- C15 H14 Cu N6 O2 -","- C180 H168 Cu12 N72 O24 -","12","1.5","","Mario Wriedt; Andrey A. Yakovenko; Gregory J. Halder; Andrey V. Prosvirin; Kim R. Dunbar; Hong-Cai Zhou","Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System","Journal of the American Chemical Society","2013","135","","4040","4050","10.1021/ja312347p","","","0.71073","MoKα","","0.1486","0.1121","","","0.2214","0.2375","","","","","","1.027","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119458","9.0102","0.0008","10.0302","0.0009","11.2964","0.0008","73.969","0.006","72.081","0.007","65.936","0.004","873.51","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Cu N6 O4 -","- C15 H14 Cu N6 O4 -","- C30 H28 Cu2 N12 O8 -","2","1","","Mario Wriedt; Andrey A. Yakovenko; Gregory J. Halder; Andrey V. Prosvirin; Kim R. Dunbar; Hong-Cai Zhou","Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System","Journal of the American Chemical Society","2013","135","","4040","4050","10.1021/ja312347p","powder diffraction","x-ray","0.6124","synchrotron","","","","","","","","","0.0549","3.45","","","","","","","has coordinates,has Fobs","178965","2020-10-21","18:00:00",""
"4119459","8.8876","0.0006","9.8698","0.0007","11.3149","0.0006","75.32","0.005","73.151","0.006","68.201","0.004","870.05","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Cu N6 O3 -","- C15 H14 Cu N6 O3 -","- C30 H28 Cu2 N12 O6 -","2","1","","Mario Wriedt; Andrey A. Yakovenko; Gregory J. Halder; Andrey V. Prosvirin; Kim R. Dunbar; Hong-Cai Zhou","Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System","Journal of the American Chemical Society","2013","135","","4040","4050","10.1021/ja312347p","powder diffraction","x-ray","0.60505","synchrotron","","","","","","","","","0.0515","1.83","","","","","","","has coordinates,has Fobs","178965","2020-10-21","18:00:00",""
"4119460","11.3244","0.001","12.0673","0.0012","12.6145","0.0012","94.319","0.005","91.205","0.008","95.485","0.007","1710.4","0.3","423","2","423","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Cu N6 O2 -","- C15 H14 Cu N6 O2 -","- C60 H56 Cu4 N24 O8 -","4","2","","Mario Wriedt; Andrey A. Yakovenko; Gregory J. Halder; Andrey V. Prosvirin; Kim R. Dunbar; Hong-Cai Zhou","Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System","Journal of the American Chemical Society","2013","135","","4040","4050","10.1021/ja312347p","powder diffraction","x-ray","0.60505","synchrotron","","","","","","","","","0.0549","1.61","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4119461","12.5434","0.0003","11.2251","0.0002","11.9059","0.0003","90","","90","","90","","1676.36","0.07","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H14 Cu N6 O2 -","- C15 H14 Cu N6 O2 -","- C60 H56 Cu4 N24 O8 -","4","0.5","","Mario Wriedt; Andrey A. Yakovenko; Gregory J. Halder; Andrey V. Prosvirin; Kim R. Dunbar; Hong-Cai Zhou","Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System","Journal of the American Chemical Society","2013","135","","4040","4050","10.1021/ja312347p","powder diffraction","x-ray","0.41308","synchrotron","","","","","","","","","0.0533","1.22","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4119462","11.1761","0.0003","11.8084","0.0004","12.5239","0.0004","90","","91.705","0.003","90","","1652.07","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cu N6 O2 -","- C15 H14 Cu N6 O2 -","- C60 H56 Cu4 N24 O8 -","4","1","","Mario Wriedt; Andrey A. Yakovenko; Gregory J. Halder; Andrey V. Prosvirin; Kim R. Dunbar; Hong-Cai Zhou","Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System","Journal of the American Chemical Society","2013","135","","4040","4050","10.1021/ja312347p","powder diffraction","x-ray","0.41308","synchrotron","","","","","","","","","0.0296","1.22","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4119463","11.4412","0.0002","22.9354","0.0003","13.1231","0.0002","90","","93.608","0.001","90","","3436.79","0.09","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Aqua(dibromo)(nitrosyl-κ<i>N</i>){bis[tris(1-methylethyl)phosphane]}rhenium(I) tetrahydrofuran disolvate","","- C26 H60 Br2 N O4 P2 Re -","- C26 H60 Br2 N O4 P2 Re -","- C104 H240 Br8 N4 O16 P8 Re4 -","4","1","","Yanfeng Jiang; Birgitta Schirmer; Olivier Blacque; Thomas Fox; Stefan Grimme; Heinz Berke","The ""Catalytic Nitrosyl Effect"": NO Bending Boosting the Efficiency of Rhenium Based Alkene Hydrogenations","Journal of the American Chemical Society","2013","135","","4088","4102","10.1021/ja400135d","","","0.71073","MoKα","","0.0535","0.0403","","","0.0948","0.0973","","","","","","1.155","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119464","10.5635","0.0002","13.4677","0.0003","19.2709","0.0004","74.211","0.002","78.467","0.002","68.956","0.002","2446.2","0.1","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","Aqua(diiodo)(nitrosyl-κ<i>N</i>)[bis(triscyclohexylphosphane]}rhenium(I) tetrahydrofuran disolvate","","- C44 H84 I2 N O4 P2 Re -","- C44 H84 I2 N O4 P2 Re -","- C88 H168 I4 N2 O8 P4 Re2 -","2","1","","Yanfeng Jiang; Birgitta Schirmer; Olivier Blacque; Thomas Fox; Stefan Grimme; Heinz Berke","The ""Catalytic Nitrosyl Effect"": NO Bending Boosting the Efficiency of Rhenium Based Alkene Hydrogenations","Journal of the American Chemical Society","2013","135","","4088","4102","10.1021/ja400135d","","","0.71073","MoKα","","0.0386","0.0304","","","0.0798","0.0818","","","","","","1.031","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119465","10.9949","0.0002","14.1494","0.0003","15.0066","0.0003","65.381","0.002","83.432","0.002","84.29","0.002","2104.97","0.08","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","Carbonyl(diiodo)(nitrosyl-κ<i>N</i>)[bis(triscyclohexylphosphane]}rhenium(I) benzene hemisolvate","","- C40 H69 I2 N O2 P2 Re -","- C40 H69 I2 N O2 P2 Re -","- C80 H138 I4 N2 O4 P4 Re2 -","2","1","","Yanfeng Jiang; Birgitta Schirmer; Olivier Blacque; Thomas Fox; Stefan Grimme; Heinz Berke","The ""Catalytic Nitrosyl Effect"": NO Bending Boosting the Efficiency of Rhenium Based Alkene Hydrogenations","Journal of the American Chemical Society","2013","135","","4088","4102","10.1021/ja400135d","","","0.71073","MoKα","","0.0234","0.02","","","0.0434","0.0446","","","","","","1.067","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119466","28.9512","0.0006","11.2765","0.0002","21.8526","0.0005","90","","105.104","0.002","90","","6887.7","0.3","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tricyclohexylphosphonium hydrido(triphenyl)borate","","- C36 H35 B F15 P -","- C36 H35 B F15 P -","- C288 H280 B8 F120 P8 -","8","1","","Yanfeng Jiang; Birgitta Schirmer; Olivier Blacque; Thomas Fox; Stefan Grimme; Heinz Berke","The ""Catalytic Nitrosyl Effect"": NO Bending Boosting the Efficiency of Rhenium Based Alkene Hydrogenations","Journal of the American Chemical Society","2013","135","","4088","4102","10.1021/ja400135d","","","0.71073","MoKα","","0.0739","0.0563","","","0.1403","0.1517","","","","","","1.017","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119467","12.0721","0.0002","12.895","0.0003","15.2598","0.0003","113.372","0.002","92.182","0.002","111.252","0.002","1985.84","0.09","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","Hydrido(diiodo)(nitrosyl-κN)[bis(tricyclohexylphosphane)]rhenium(II)","","- C36 H67 I2 N O P2 Re -","- C36 H67 I2 N O P2 Re -","- C72 H134 I4 N2 O2 P4 Re2 -","2","1","","Yanfeng Jiang; Birgitta Schirmer; Olivier Blacque; Thomas Fox; Stefan Grimme; Heinz Berke","The ""Catalytic Nitrosyl Effect"": NO Bending Boosting the Efficiency of Rhenium Based Alkene Hydrogenations","Journal of the American Chemical Society","2013","135","","4088","4102","10.1021/ja400135d","","","0.71073","MoKα","","0.0262","0.024","","","0.049","0.0498","","","","","","1.144","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119468","13.408","0.002","14.878","0.002","23.068","0.004","104.541","0.008","90.001","0.009","116.551","0.008","3950.9","1.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C86.5 H148 N2 Ni2 O2 P2 -","- C64 H94 N2 Ni2 O2 P2 -","- C128 H188 N4 Ni4 O4 P4 -","2","1","","Madalyn R. Radlauer; Aya K. Buckley; Lawrence M. Henling; Theodor Agapie","Bimetallic Coordination Insertion Polymerization of Unprotected Polar Monomers: Copolymerization of Amino Olefins and Ethylene by Dinickel Bisphenoxyiminato Catalysts","Journal of the American Chemical Society","2013","135","","3784","3787","10.1021/ja4004816","","","0.71073","MoKα","","0.2114","0.1425","","","0.3256","0.3417","","","","","","1.771","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119469","13.284","0.004","21.951","0.007","27.971","0.009","91.115","0.007","97.107","0.008","101.877","0.007","7912","4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C86.8 H119.2 N2 Ni2 O2 P2 -","- C76.2965 H107.196 N2 Ni2 O2 P2 -","- C305.186 H428.784 N8 Ni8 O8 P8 -","4","2","","Madalyn R. Radlauer; Aya K. Buckley; Lawrence M. Henling; Theodor Agapie","Bimetallic Coordination Insertion Polymerization of Unprotected Polar Monomers: Copolymerization of Amino Olefins and Ethylene by Dinickel Bisphenoxyiminato Catalysts","Journal of the American Chemical Society","2013","135","","3784","3787","10.1021/ja4004816","","","0.71073","MoKα","","0.2353","0.1615","","","0.3432","0.364","","","","","","1.915","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119470","10.9624","0.0004","11.1511","0.0004","16.6631","0.0007","77.562","0.002","78.236","0.002","61.599","0.002","1737.48","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 B Cu P3 -","- C36 H54 B Cu P3 -","- C72 H108 B2 Cu2 P6 -","2","1","","Marc-Etienne Moret; Limei Zhang; Jonas C. Peters","A Polar Copper-Boron One-Electron σ-Bond","Journal of the American Chemical Society","2013","135","","3792","3795","10.1021/ja4006578","","","0.71073","MoKα","","0.0856","0.0497","","","0.1003","0.1144","","","","","","1.036","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119471","26.2296","0.0012","19.7982","0.0009","26.5304","0.0011","90","","90","","90","","13777.2","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C68 H66 B2 Cu F24 P3 -","- C68 H66 B2 Cu F24 P3 -","- C544 H528 B16 Cu8 F192 P24 -","8","1","","Marc-Etienne Moret; Limei Zhang; Jonas C. Peters","A Polar Copper-Boron One-Electron σ-Bond","Journal of the American Chemical Society","2013","135","","3792","3795","10.1021/ja4006578","","","0.71073","MoKα","","0.0779","0.0461","","","0.1105","0.1299","","","","","","1.042","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119472","11.3982","0.0005","34.9481","0.0015","16.0773","0.0007","90","","92.586","0.002","90","","6397.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H94 B Cu K O10 P3 -","- C64 H94 B Cu K O10 P3 -","- C256 H376 B4 Cu4 K4 O40 P12 -","4","1","","Marc-Etienne Moret; Limei Zhang; Jonas C. Peters","A Polar Copper-Boron One-Electron σ-Bond","Journal of the American Chemical Society","2013","135","","3792","3795","10.1021/ja4006578","","","0.71073","MoKα","","0.0697","0.0411","","","0.0854","0.0952","","","","","","1.02","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119473","10.037","0.0005","14.3561","0.0007","17.7392","0.0008","92.3266","0.0005","90.3471","0.0005","99.9098","0.0005","2515.6","0.2","88","2","88","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H43 Dy -","- C29 H43 Dy -","- C116 H172 Dy4 -","4","2","","Megan E. Fieser; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Dinitrogen Reduction via Photochemical Activation of Heteroleptic Tris(cyclopentadienyl) Rare-Earth Complexes","Journal of the American Chemical Society","2013","135","","3804","3807","10.1021/ja400664s","","","0.71073","MoKα","","0.0251","0.0197","","","0.0472","0.0494","","","","","","1.037","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119474","22.97","0.002","10.2044","0.0009","23.173","0.002","90","","114.601","0.001","90","","4938.6","0.7","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H41 Lu -","- C28 H41 Lu -","- C224 H328 Lu8 -","8","2","","Megan E. Fieser; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Dinitrogen Reduction via Photochemical Activation of Heteroleptic Tris(cyclopentadienyl) Rare-Earth Complexes","Journal of the American Chemical Society","2013","135","","3804","3807","10.1021/ja400664s","","","0.71073","MoKα","","0.065","0.0537","","","0.1021","0.1053","","","","","","1.276","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119475","10.402","0.005","9.94","0.005","20.008","0.005","90","0.005","102.35","0.005","90","0.005","2020.9","1.5","153","2","153","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C22 H36 O4 -","- C22 H36 O4 -","- C88 H144 O16 -","4","0.5","","Laina M. Geary; Ben W. Glasspoole; Mary M. Kim; Michael J. Krische","Successive C-C Coupling of Dienes to Vicinally Dioxygenated Hydrocarbons: Ruthenium Catalyzed [4 + 2] Cycloaddition across the Diol, Hydroxycarbonyl, or Dione Oxidation Levels","Journal of the American Chemical Society","2013","135","","3796","3799","10.1021/ja400691t","","","0.71069","MoKα","","0.1363","0.1231","","","0.2948","0.3033","","","","","","2.229","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119476","17.265","0.002","25.499","0.003","11.2048","0.0014","90","","90","","90","","4932.8","1","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","ben04","","","- C53 H68 B Mn N4 O3 S -","- C53 H68 B Mn N4 O3 S -","- C212 H272 B4 Mn4 N16 O12 S4 -","4","1","","Michael K. Coggins; Vlad Martin-Diaconescu; Serena DeBeer; Julie A. Kovacs","Correlation Between Structural, Spectroscopic, and Reactivity Properties Within a Series of Structurally Analogous Metastable Manganese(III)-Alkylperoxo Complexes","Journal of the American Chemical Society","2013","135","","4260","4272","10.1021/ja308915x","","","0.71073","MoKα","","0.1826","0.0696","","","0.0937","0.1246","","","","","","1","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119477","12.8928","0.0018","14.433","0.002","15.069","0.003","71.085","0.01","77.463","0.01","82.463","0.009","2583.8","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","michael066","","","- C56 H64.65 B Cl1.34 Mn N4 O2.33 S -","- C55.993 H64.648 B Cl1.338 Mn N4 O2.331 S -","- C111.986 H129.296 B2 Cl2.676 Mn2 N8 O4.662 S2 -","2","1","","Michael K. Coggins; Vlad Martin-Diaconescu; Serena DeBeer; Julie A. Kovacs","Correlation Between Structural, Spectroscopic, and Reactivity Properties Within a Series of Structurally Analogous Metastable Manganese(III)-Alkylperoxo Complexes","Journal of the American Chemical Society","2013","135","","4260","4272","10.1021/ja308915x","","","0.71073","MoKα","","0.2391","0.1004","","","0.1919","0.2365","","","","","","0.952","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119478","10.5559","0.0008","14.0937","0.001","23.9583","0.0016","90","","94.56","0.004","90","","3553","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","ben07","","","- C69 H92 F12 Mn2 N8 O4 P2 S2 -","- C69 H92 F12 Mn2 N8 O4 P2 S2 -","- C138 H184 F24 Mn4 N16 O8 P4 S4 -","2","0.5","","Michael K. Coggins; Vlad Martin-Diaconescu; Serena DeBeer; Julie A. Kovacs","Correlation Between Structural, Spectroscopic, and Reactivity Properties Within a Series of Structurally Analogous Metastable Manganese(III)-Alkylperoxo Complexes","Journal of the American Chemical Society","2013","135","","4260","4272","10.1021/ja308915x","","","0.71073","MoKα","","0.1382","0.0688","","","0.1692","0.2088","","","","","","1.013","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119479","9.542","0.0007","14.5846","0.0011","16.4547","0.0013","77.689","0.004","83.682","0.004","78.144","0.004","2184.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","michael054","","","- C50 H60 B Mn N4 O2 S -","- C50 H60 B Mn N4 O2 S -","- C100 H120 B2 Mn2 N8 O4 S2 -","2","1","","Michael K. Coggins; Vlad Martin-Diaconescu; Serena DeBeer; Julie A. Kovacs","Correlation Between Structural, Spectroscopic, and Reactivity Properties Within a Series of Structurally Analogous Metastable Manganese(III)-Alkylperoxo Complexes","Journal of the American Chemical Society","2013","135","","4260","4272","10.1021/ja308915x","","","0.71073","MoKα","","0.1436","0.0667","","","0.1448","0.1786","","","","","","1.008","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119480","7.0769","0.0006","15.3364","0.0018","8.3414","0.0007","90","","98.595","0.004","90","","895.16","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H25 B N O P -","- C18 H25 B N O P -","- C36 H50 B2 N2 O2 P2 -","2","1","","Hester Zijlstra; Thierry León; Abel de Cózar; Célia Fonseca Guerra; Daniel Byrom; Antoni Riera; Xavier Verdaguer; F. Matthias Bickelhaupt","Stereodivergent SN2@P Reactions of Borane Oxazaphospholidines: Experimental and Theoretical Studies","Journal of the American Chemical Society","2013","135","","4483","4491","10.1021/ja400208t","","","0.71073","MoKα","","0.0401","0.0373","","","0.0887","0.0968","","","","","","1.095","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119481","8.0527","0.0011","11.9834","0.0019","25.563","0.004","90","","95.601","0.005","90","","2455","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 Ga N -","- C29 H36 Ga N -","- C116 H144 Ga4 N4 -","4","1","","Takuya Matsumoto; Kazuo Tanaka; Yoshiki Chujo","Synthesis and Optical Properties of Stable Gallafluorene Derivatives: Investigation of Their Emission via Triplet States","Journal of the American Chemical Society","2013","135","","4211","4214","10.1021/ja400287y","","","0.71075","MoKα","","0.0493","0.0414","","","0.1392","0.1516","","","","","","1.188","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119482","11.2602","0.0016","9.2611","0.0011","18.389","0.003","90","","101.193","0.0011","90","","1881.2","0.5","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H12 Cl2 N4 O4 -","- C20 H12 Cl2 N4 O4 -","- C80 H48 Cl8 N16 O16 -","4","1","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","High-Temperature and Pressure-Induced Ferroelectricity in Hydrogen-Bonded Supramolecular Crystals of Anilic Acids and 2,3-Di(2-pyridinyl)pyrazine","Journal of the American Chemical Society","2013","135","","4492","4500","10.1021/ja400318v","","","0.7107","MoKα","","","0.0359","","","","0.0395","","","","","","1.872","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119483","11.459","0.008","9.245","0.006","18.441","0.01","90","","101.68","0.011","90","","1913","2","410","1","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Cl2 N4 O4 -","- C20 H12 Cl2 N4 O4 -","- C80 H48 Cl8 N16 O16 -","4","0.5","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","High-Temperature and Pressure-Induced Ferroelectricity in Hydrogen-Bonded Supramolecular Crystals of Anilic Acids and 2,3-Di(2-pyridinyl)pyrazine","Journal of the American Chemical Society","2013","135","","4492","4500","10.1021/ja400318v","","","0.6876","Synchrotron","","","0.0314","","","","0.0404","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119484","11.237","0.007","9.247","0.006","18.374","0.009","90","","101.203","0.015","90","","1872.8","1.9","296.1","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H12 Cl2 N4 O4 -","- C20 H12 Cl2 N4 O4 -","- C80 H48 Cl8 N16 O16 -","4","1","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","High-Temperature and Pressure-Induced Ferroelectricity in Hydrogen-Bonded Supramolecular Crystals of Anilic Acids and 2,3-Di(2-pyridinyl)pyrazine","Journal of the American Chemical Society","2013","135","","4492","4500","10.1021/ja400318v","","","0.6876","Synchrotron","","","0.0291","","","","0.0366","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119485","11.3686","0.0015","9.3558","0.0011","18.41","0.003","90","","99.0211","0.0013","90","","1933.9","0.5","293.1","","293.1","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H12 Br2 N4 O4 -","- C20 H12 Br2 N4 O4 -","- C80 H48 Br8 N16 O16 -","4","1","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","High-Temperature and Pressure-Induced Ferroelectricity in Hydrogen-Bonded Supramolecular Crystals of Anilic Acids and 2,3-Di(2-pyridinyl)pyrazine","Journal of the American Chemical Society","2013","135","","4492","4500","10.1021/ja400318v","","","0.7107","MoKα","","","0.0283","","","","0.033","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119486","15.546","0.002","7.1922","0.001","21.463","0.003","90","","102.055","0.0011","90","","2346.9","0.6","293.1","","293.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H26 Br6 N8 O12 -","- C46 H26 Br6 N8 O12 -","- C92 H52 Br12 N16 O24 -","2","0.5","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","High-Temperature and Pressure-Induced Ferroelectricity in Hydrogen-Bonded Supramolecular Crystals of Anilic Acids and 2,3-Di(2-pyridinyl)pyrazine","Journal of the American Chemical Society","2013","135","","4492","4500","10.1021/ja400318v","","","0.7107","MoKα","","","0.0336","","","","0.0446","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119487","9.9922","0.0005","10.5041","0.001","12.0393","0.0008","89.537","0.006","67.868","0.005","84.597","0.006","1164.81","0.15","293.1","","293.1","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H26 Br6 N8 O12 -","- C46 H26 Br6 N8 O12 -","- C46 H26 Br6 N8 O12 -","1","0.5","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","High-Temperature and Pressure-Induced Ferroelectricity in Hydrogen-Bonded Supramolecular Crystals of Anilic Acids and 2,3-Di(2-pyridinyl)pyrazine","Journal of the American Chemical Society","2013","135","","4492","4500","10.1021/ja400318v","","","0.7107","MoKα","","","0.0302","","","","0.0323","","","","","","0.95","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119488","10.8001","0.0014","9.616","0.0011","17.421","0.002","90","","98.9039","0.0011","90","","1787.4","0.4","293.1","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 F2 N4 O4 -","- C20 H12 F2 N4 O4 -","- C80 H48 F8 N16 O16 -","4","0.5","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","High-Temperature and Pressure-Induced Ferroelectricity in Hydrogen-Bonded Supramolecular Crystals of Anilic Acids and 2,3-Di(2-pyridinyl)pyrazine","Journal of the American Chemical Society","2013","135","","4492","4500","10.1021/ja400318v","","","0.7107","MoKα","","","0.0406","","","","0.059","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119489","16.148","0.002","9.2333","0.001","13.384","0.0015","90","","100.088","0.0011","90","","1964.7","0.4","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H16 F2 N4 O5 -","- C21 H16 F2 N4 O5 -","- C84 H64 F8 N16 O20 -","4","1","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","High-Temperature and Pressure-Induced Ferroelectricity in Hydrogen-Bonded Supramolecular Crystals of Anilic Acids and 2,3-Di(2-pyridinyl)pyrazine","Journal of the American Chemical Society","2013","135","","4492","4500","10.1021/ja400318v","","","0.7107","MoKα","","","0.0391","","","","0.0308","","","","","","1.512","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119490","7.9891","0.0008","11.0312","0.0014","11.1116","0.001","68.432","0.012","71.108","0.012","79.987","0.014","859.96","0.18","293.1","","293.1","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 F2 N2 O4 -","- C20 H18 F2 N2 O4 -","- C40 H36 F4 N4 O8 -","2","1","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","High-Temperature and Pressure-Induced Ferroelectricity in Hydrogen-Bonded Supramolecular Crystals of Anilic Acids and 2,3-Di(2-pyridinyl)pyrazine","Journal of the American Chemical Society","2013","135","","4492","4500","10.1021/ja400318v","","","0.7107","MoKα","","","0.0487","","","","0.0374","","","","","","1.777","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119491","25.26","0.002","15.1746","0.0014","19.7048","0.0018","90","","95.067","0.001","90","","7523.5","1.1","90","2","90","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C121.32 H49.33 Cl0.41 N4 Ni Sm3 -","- C120.82 H49.46 Cl0.81 N4 Ni Sm2.7694 -","- C483.28 H197.84 Cl3.24 N16 Ni4 Sm11.0776 -","4","0.5","","Wei Xu; Lai Feng; Matteo Calvaresi; Jia Liu; Yang Liu; Ben Niu; Zujin Shi; Yongfu Lian; Francesco Zerbetto","An Experimentally Observed Trimetallofullerene Sm3@Ih-C80: Encapsulation of Three Metal Atoms in a Cage without a Nonmetallic Mediator","Journal of the American Chemical Society","2013","135","","4187","4190","10.1021/ja400490u","","","0.71073","MoKα","","0.0835","0.075","","","0.2121","0.2189","","","","","","1.015","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119492","18.8112","0.0015","10.7151","0.0006","8.6031","0.0005","90","","90","","90","","1734.1","0.2","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- B11 Ba4 F O20 -","- B11 Ba4 F O20 -","- B44 Ba16 F4 O80 -","4","0.5","","Hongping Wu; Hongwei Yu; Zhihua Yang; Xueling Hou; Xin Su; Shilie Pan; Kenneth R. Poeppelmeier; James M. Rondinelli","Designing a Deep-Ultraviolet Nonlinear Optical Material with a Large Second Harmonic Generation Response","Journal of the American Chemical Society","2013","135","","4215","4218","10.1021/ja400500m","","","0.71073","MoKα","","0.0142","0.0141","","","0.0338","0.0338","","","","","","1.06","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119493","49.2578","0.0009","15.0524","0.0006","19.1141","0.0007","90","","101.689","0.002","90","","13878.2","0.8","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C82 H76 Cl3 N3 -","- C82 H76 Cl3 N3 -","- C656 H608 Cl24 N24 -","8","1","","Florian Schlütter; Frédéric Rossel; Milan Kivala; Volker Enkelmann; Jean-Paul Gisselbrecht; Pascal Ruffieux; Roman Fasel; Klaus Müllen","π-Conjugated Heterotriangulene Macrocycles by Solution and Surface-supported Synthesis toward Honeycomb Networks","Journal of the American Chemical Society","2013","135","","4550","4557","10.1021/ja400857g","","","0.71073","MoKα","","0.1409","0.0506","","0.2382","0.0587","0.0587","","","","","","0.9293","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119494","5.4341","0.0006","10.1557","0.0012","20.159","0.002","90","","90","","90","","1112.5","0.2","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 Br O3 -","- C13 H9 Br O3 -","- C52 H36 Br4 O12 -","4","1","","Toshifumi Dohi; Naoko Takenaga; Tomofumi Nakae; Yosuke Toyoda; Mikio Yamasaki; Motoo Shiro; Hiromichi Fujioka; Akinobu Maruyama; Yasuyuki Kita","Asymmetric Dearomatizing Spirolactonization of Naphthols Catalyzed by Spirobiindane-Based Chiral Hypervalent Iodine Species","Journal of the American Chemical Society","2013","135","","4558","4566","10.1021/ja401074u","","","0.71075","MoKα","","","0.0238","","","","0.0682","","","","","","1.045","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119495","13.9515","0.0006","7.4841","0.0003","20.7748","0.0009","90","","98.7267","0.0005","90","","2144.08","0.16","83","2","83","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H56 N4 O10 Si -","- C41 H56 N4 O10 Si -","- C82 H112 N8 O20 Si2 -","2","1","","Salman Y. Jabri; Larry E. Overman","Enantioselective Total Synthesis of Plectosphaeroic Acid B","Journal of the American Chemical Society","2013","135","","4231","4234","10.1021/ja401423j","","","0.71073","MoKα","","0.037","0.0358","","","0.0983","0.0993","","","","","","1.048","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119496","16.206","0.004","25.131","0.006","25.621","0.006","90","","90","","90","","10435","4","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H87 N2 O4 P Pd -","- C54 H87 N2 O4 P Pd -","- C432 H696 N16 O32 P8 Pd8 -","8","1","","Julie Broggi; Václav Jurčík; Olivier Songis; Albert Poater; Luigi Cavallo; Alexandra M. Z. Slawin; Catherine S. J. Cazin","The Isolation of [Pd{OC(O)H}(H)(NHC)(PR3)] (NHC = N-Heterocyclic Carbene) and Its Role in Alkene and Alkyne Reductions Using Formic Acid","Journal of the American Chemical Society","2013","135","","4588","4591","10.1021/ja311087c","","","0.71073","MoKα","","0.1742","0.0911","","","0.1796","0.2133","","","","","","1.04","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119497","15.0774","0.0008","9.3896","0.0006","16.7012","0.0009","90","","112.131","0.003","90","","2190.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 F6 N -","- C27 H19 F6 N -","- C108 H76 F24 N4 -","4","1","","Sang Kyu Park; Shinto Varghese; Jong H. Kim; Seong-Jun Yoon; Oh Kyu Kwon; Byeong-Kwan An; Johannes Gierschner; Soo Young Park","Tailor-Made Highly Luminescent and Ambipolar Transporting Organic Mixed Stacked Charge-Transfer Crystals: An Isometric Donor-Acceptor Approach","Journal of the American Chemical Society","2013","135","","4757","4764","10.1021/ja312197b","","","0.71073","MoKα","","0.1129","0.0543","","","0.1371","0.1614","","","","","","0.876","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119498","13.6253","0.0016","13.6253","0.0016","7.6476","0.0009","90","","90","","90","","1419.8","0.3","223","2","273","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C2 Ca0.5 Cl0.25 O2.25 -","- C2 Ca0.5 Cl0.25 O2.25 -","- C32 Ca8 Cl4 O36 -","16","1","","Satoshi Horike; Yusuke Kamitsubo; Munehiro Inukai; Tomohiro Fukushima; Daiki Umeyama; Tomoya Itakura; Susumu Kitagawa","Postsynthesis Modification of a Porous Coordination Polymer by LiCl To Enhance H+ Transport","Journal of the American Chemical Society","2013","135","","4612","4615","10.1021/ja3122872","","","0.71075","MoKα","","0.0828","0.0821","","","0.2565","0.2579","","","","","","1.179","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119499","8.775","0.002","19.559","0.004","10.284","0.003","90","","109.567","0.004","90","","1663.1","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Qiuzheng Tang; Dexin Xia; Xiqing Jin; Qing Zhang; Xiao-Qiang Sun; Congyang Wang","Re/Mg Bimetallic Tandem Catalysis for [4+2] Annulation of Benzamides and Alkynes via C-H/N-H Functionalization","Journal of the American Chemical Society","2013","135","","4628","4631","10.1021/ja400020e","","","0.71073","MoKα","","0.0789","0.0671","","","0.1254","0.1311","","","","","","1.172","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119500","16.564","0.003","7.2675","0.0015","16.904","0.003","90","","114.72","0.03","90","","1848.4","0.8","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C22 H18 I N O -","- C22 H18 I N O -","- C88 H72 I4 N4 O4 -","4","1","","Qiuzheng Tang; Dexin Xia; Xiqing Jin; Qing Zhang; Xiao-Qiang Sun; Congyang Wang","Re/Mg Bimetallic Tandem Catalysis for [4+2] Annulation of Benzamides and Alkynes via C-H/N-H Functionalization","Journal of the American Chemical Society","2013","135","","4628","4631","10.1021/ja400020e","","","0.71073","MoKα","","0.0618","0.0596","","","0.1302","0.1315","","","","","","1.118","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119501","9.2425","0.0018","10.615","0.002","17.323","0.004","90","","96.45","0.03","90","","1688.8","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 F N O -","- C22 H18 F N O -","- C88 H72 F4 N4 O4 -","4","1","","Qiuzheng Tang; Dexin Xia; Xiqing Jin; Qing Zhang; Xiao-Qiang Sun; Congyang Wang","Re/Mg Bimetallic Tandem Catalysis for [4+2] Annulation of Benzamides and Alkynes via C-H/N-H Functionalization","Journal of the American Chemical Society","2013","135","","4628","4631","10.1021/ja400020e","","","0.71073","MoKα","","0.0653","0.0629","","","0.1452","0.1465","","","","","","1.217","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119502","21.68","0.05","5.975","0.014","31.44","0.07","90","","91.72","0.06","90","","4071","16","94","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H21 N2 O4 S -","- C22 H18 N2 O3 S -","- C176 H144 N16 O24 S8 -","8","1","","Stepan Chuprakov; Sen Wai Kwok; Valery V. Fokin","Transannulation of 1-Sulfonyl-1,2,3-triazoles with Heterocumulenes","Journal of the American Chemical Society","2013","135","","4652","4655","10.1021/ja400350c","","","0.71073","MoKα","","0.1507","0.0745","","","0.1753","0.2027","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119503","11.284","0.0009","8.3762","0.0008","32.86","0.003","90","","93.525","0.001","90","","3100","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O2 S2 -","- C16 H14 N2 O2 S2 -","- C128 H112 N16 O16 S16 -","8","2","","Stepan Chuprakov; Sen Wai Kwok; Valery V. Fokin","Transannulation of 1-Sulfonyl-1,2,3-triazoles with Heterocumulenes","Journal of the American Chemical Society","2013","135","","4652","4655","10.1021/ja400350c","","","0.71073","MoKα","","0.0419","0.0309","","","0.0855","0.0917","","","","","","1.014","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119504","9.821","0.0002","9.6719","0.0002","19.1185","0.0004","90","","103.207","0.002","90","","1767.99","0.06","173","0.14","173","0.14","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 O2 -","- C22 H24 O2 -","- C88 H96 O8 -","4","1","","Wanxiang Zhao; Zigang Li; Jianwei Sun","A New Strategy for Efficient Synthesis of Medium and Large Ring Lactones without High Dilution or Slow Addition","Journal of the American Chemical Society","2013","135","","4680","4683","10.1021/ja400883q","","x-ray","1.5418","CuKα","","0.0387","0.0357","","","0.097","0.1001","","","","","","1.009","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119505","8.709","0.005","16.587","0.005","24.956","0.005","90","","97.324","0.005","90","","3576","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H57 Fe N3 -","- C43 H57 Fe N3 -","- C172 H228 Fe4 N12 -","4","1","","Jordan M. Hoyt; Kevin T. Sylvester; Scott P. Semproni; Paul J. Chirik","Synthesis and Electronic Structure of Bis(imino)pyridine Iron Metallacyclic Intermediates in Iron-Catalyzed Cyclization Reactions","Journal of the American Chemical Society","2013","135","","4862","4877","10.1021/ja400895j","","","1.54184","CuKα","","0.0825","0.0735","","","0.1934","0.198","","","","","","1.17","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119506","14.114","0.005","14.556","0.005","14.624","0.005","72.891","0.005","71.995","0.005","63.857","0.005","2520.7","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H74 Fe N4 O3 S -","- C56 H74 Fe N4 O3 S -","- C112 H148 Fe2 N8 O6 S2 -","2","1","","Jordan M. Hoyt; Kevin T. Sylvester; Scott P. Semproni; Paul J. Chirik","Synthesis and Electronic Structure of Bis(imino)pyridine Iron Metallacyclic Intermediates in Iron-Catalyzed Cyclization Reactions","Journal of the American Chemical Society","2013","135","","4862","4877","10.1021/ja400895j","","","1.54184","CuKα","","0.1022","0.091","","","0.2537","0.2731","","","","","","1.09","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119507","12.4942","0.0002","14.9302","0.0002","15.2417","0.0002","68.939","0.001","71.67","0.001","85.963","0.001","2515.73","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H74 Fe N4 O3 S -","- C55 H74 Fe N4 O3 S -","- C110 H148 Fe2 N8 O6 S2 -","2","1","","Jordan M. Hoyt; Kevin T. Sylvester; Scott P. Semproni; Paul J. Chirik","Synthesis and Electronic Structure of Bis(imino)pyridine Iron Metallacyclic Intermediates in Iron-Catalyzed Cyclization Reactions","Journal of the American Chemical Society","2013","135","","4862","4877","10.1021/ja400895j","","","1.54178","CuKα","","0.0474","0.045","","","0.1238","0.1263","","","","","","1.043","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119508","11.486","0.002","11.764","0.002","18.135","0.004","107.419","0.005","95.658","0.004","107.102","0.003","2187.4","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H64 Fe N4 O2 S -","- C50 H64 Fe N4 O2 S -","- C100 H128 Fe2 N8 O4 S2 -","2","1","","Jordan M. Hoyt; Kevin T. Sylvester; Scott P. Semproni; Paul J. Chirik","Synthesis and Electronic Structure of Bis(imino)pyridine Iron Metallacyclic Intermediates in Iron-Catalyzed Cyclization Reactions","Journal of the American Chemical Society","2013","135","","4862","4877","10.1021/ja400895j","","","0.71073","MoKα","","0.0584","0.0478","","","0.127","0.1371","","","","","","1.039","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119509","10.7412","0.0004","12.9217","0.0004","33.2629","0.0011","90","","97.19","0.002","90","","4580.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H72 Fe N4 O -","- C53 H72 Fe N4 O -","- C212 H288 Fe4 N16 O4 -","4","1","","Jordan M. Hoyt; Kevin T. Sylvester; Scott P. Semproni; Paul J. Chirik","Synthesis and Electronic Structure of Bis(imino)pyridine Iron Metallacyclic Intermediates in Iron-Catalyzed Cyclization Reactions","Journal of the American Chemical Society","2013","135","","4862","4877","10.1021/ja400895j","","","1.54178","CuKα","","0.0587","0.0548","","","0.1631","0.1651","","","","","","1.135","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119510","10.271","0.003","12.975","0.004","16.92","0.005","82.177","0.007","82.496","0.006","72.153","0.006","2116.9","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H59 Fe N4 O2 S -","- C47 H59 Fe N4 O2 S -","- C94 H118 Fe2 N8 O4 S2 -","2","1","","Jordan M. Hoyt; Kevin T. Sylvester; Scott P. Semproni; Paul J. Chirik","Synthesis and Electronic Structure of Bis(imino)pyridine Iron Metallacyclic Intermediates in Iron-Catalyzed Cyclization Reactions","Journal of the American Chemical Society","2013","135","","4862","4877","10.1021/ja400895j","","","0.71073","MoKα","","0.0956","0.0772","","","0.187","0.194","","","","","","1.207","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119511","12.561","0.005","16.625","0.005","21.744","0.005","90","","90","","90","","4541","2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C45 H69 Fe N3 Si2 -","- C45 H69 Fe N3 Si2 -","- C180 H276 Fe4 N12 Si8 -","4","1","","Jordan M. Hoyt; Kevin T. Sylvester; Scott P. Semproni; Paul J. Chirik","Synthesis and Electronic Structure of Bis(imino)pyridine Iron Metallacyclic Intermediates in Iron-Catalyzed Cyclization Reactions","Journal of the American Chemical Society","2013","135","","4862","4877","10.1021/ja400895j","","","1.54184","CuKα","","0.0611","0.045","","","0.1019","0.1097","","","","","","1.015","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119512","7.393","0.001","13.6537","0.0019","19.656","0.003","90","","90","","90","","1984.1","0.5","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br N2 O2 S -","- C21 H19 Br N2 O2 S -","- C84 H76 Br4 N8 O8 S4 -","4","1","","Lennart Lykke; Kim Søholm Halskov; Bjørn Dreiø Carlsen; Victor X. Chen; Karl Anker Jørgensen","Catalytic Asymmetric Diaziridination","Journal of the American Chemical Society","2013","135","","4692","4695","10.1021/ja401150m","","","0.71073","MoKα","","0.1377","0.0573","","","0.0785","0.0992","","","","","","1.017","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119513","10.1","0.002","19.07","0.004","26.03","0.005","90","","90","","90","","5013.6","1.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H63 F3 N12 O6 -","- C52 H63 F3 N12 O6 -","- C208 H252 F12 N48 O24 -","4","1","","Nagendar Pendem; Céline Douat; Paul Claudon; Michel Laguerre; Sabine Castano; Bernard Desbat; Dominique Cavagnat; Eric Ennifar; Brice Kauffmann; Gilles Guichard","Helix-Forming Propensity of Aliphatic Urea Oligomers Incorporating Noncanonical Residue Substitution Patterns","Journal of the American Chemical Society","2013","135","","4884","4892","10.1021/ja401151v","","","0.75","MoKα","","0.0387","0.0385","","","0.0994","0.0996","","","","","","1.048","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119514","22.104","0.004","25.028","0.005","23.517","0.005","90","","117.49","0.03","90","","11541","5","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54.5 H63.75 F3 N12 O8.5 -","- C54.5 H63.75 F3 N12 O8.25 -","- C436 H510 F24 N96 O66 -","8","4","","Nagendar Pendem; Céline Douat; Paul Claudon; Michel Laguerre; Sabine Castano; Bernard Desbat; Dominique Cavagnat; Eric Ennifar; Brice Kauffmann; Gilles Guichard","Helix-Forming Propensity of Aliphatic Urea Oligomers Incorporating Noncanonical Residue Substitution Patterns","Journal of the American Chemical Society","2013","135","","4884","4892","10.1021/ja401151v","","","1.54178","CuKα","","0.1433","0.1005","","","0.2672","0.321","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119515","13.389","0.002","25.301","0.006","17.527","0.003","90","","96.476","0.015","90","","5899.5","1.9","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C114.88 H140 F5.6 N24 O15 -","- C114.88 H140 F5.6 N24 O15 -","- C229.76 H280 F11.2 N48 O30 -","2","1","","Nagendar Pendem; Céline Douat; Paul Claudon; Michel Laguerre; Sabine Castano; Bernard Desbat; Dominique Cavagnat; Eric Ennifar; Brice Kauffmann; Gilles Guichard","Helix-Forming Propensity of Aliphatic Urea Oligomers Incorporating Noncanonical Residue Substitution Patterns","Journal of the American Chemical Society","2013","135","","4884","4892","10.1021/ja401151v","","","1.54178","CuKα","","0.1415","0.0819","","","0.1863","0.21","","","","","","0.863","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119516","9.877","0.002","25.468","0.005","11.919","0.002","90","","100.92","0.03","90","","2943.9","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H11 F5 N4 O2 -","- C13 H11 F5 N4 O2 -","- C104 H88 F40 N32 O16 -","8","4","","Nagendar Pendem; Céline Douat; Paul Claudon; Michel Laguerre; Sabine Castano; Bernard Desbat; Dominique Cavagnat; Eric Ennifar; Brice Kauffmann; Gilles Guichard","Helix-Forming Propensity of Aliphatic Urea Oligomers Incorporating Noncanonical Residue Substitution Patterns","Journal of the American Chemical Society","2013","135","","4884","4892","10.1021/ja401151v","","","0.8726","","","0.0549","0.0539","","","0.1407","0.1418","","","","","","1.073","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119517","11.949","","11.949","","18.656","","90","","90","","90","","2663.68","","213","2","213","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C88 H160 N32 O16 -","- C88 H160 N32 O16 -","- C88 H160 N32 O16 -","1","0.125","","Nagendar Pendem; Céline Douat; Paul Claudon; Michel Laguerre; Sabine Castano; Bernard Desbat; Dominique Cavagnat; Eric Ennifar; Brice Kauffmann; Gilles Guichard","Helix-Forming Propensity of Aliphatic Urea Oligomers Incorporating Noncanonical Residue Substitution Patterns","Journal of the American Chemical Society","2013","135","","4884","4892","10.1021/ja401151v","","","1.54178","CuKα","","0.0909","0.0594","","","0.1368","0.1695","","","","","","1.042","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119518","12.464","0.0001","21.6176","0.0002","20.8186","0.0003","90","","97.338","0.001","90","","5563.46","0.11","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55 H72 Au B9 N2 O P2 S -","- C55 H72 Au B9 N2 O P2 S -","- C220 H288 Au4 B36 N8 O4 P8 S4 -","4","1","","Renso Visbal; Isaura Ospino; José M. López-de-Luzuriaga; Antonio Laguna; M. Concepción Gimeno","N-Heterocyclic Carbene Ligands as Modulators of Luminescence in Three-Coordinate Gold(I) Complexes with Spectacular Quantum Yields","Journal of the American Chemical Society","2013","135","","4712","4715","10.1021/ja401523x","","","0.71073","MoKα","","0.0249","0.0209","","","0.0478","0.0496","","","","","","1.043","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119519","42.3323","0.001","11.4375","0.0002","22.6153","0.0006","90","","118.381","0.003","90","","9633.7","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47.5 H57 Au B9 Cl N2 P2 -","- C47.5 H57 Au B9 Cl N2 P2 -","- C380 H456 Au8 B72 Cl8 N16 P16 -","8","1","","Renso Visbal; Isaura Ospino; José M. López-de-Luzuriaga; Antonio Laguna; M. Concepción Gimeno","N-Heterocyclic Carbene Ligands as Modulators of Luminescence in Three-Coordinate Gold(I) Complexes with Spectacular Quantum Yields","Journal of the American Chemical Society","2013","135","","4712","4715","10.1021/ja401523x","","","0.71073","MoKα","","0.0382","0.0331","","","0.0811","0.0844","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119520","12.2134","0.0008","29.699","0.0015","14.7045","0.001","90","","102.9","0.007","90","","5199.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50.5 H58 Au B9 N3 O2.5 P2 -","- C50.5 H58 Au B9 N3 O2.5 P2 -","- C202 H232 Au4 B36 N12 O10 P8 -","4","1","","Renso Visbal; Isaura Ospino; José M. López-de-Luzuriaga; Antonio Laguna; M. Concepción Gimeno","N-Heterocyclic Carbene Ligands as Modulators of Luminescence in Three-Coordinate Gold(I) Complexes with Spectacular Quantum Yields","Journal of the American Chemical Society","2013","135","","4712","4715","10.1021/ja401523x","","","0.71073","MoKα","","0.118","0.0754","","","0.1542","0.1737","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119521","16.2107","0.0008","16.7559","0.0009","24.0188","0.0012","86.633","0.001","88.433","0.001","66.637","0.001","5978.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H146 Cu20 O18 P9 S18 -","- C63 H146 Cu20 O18 P9 S18 -","- C126 H292 Cu40 O36 P18 S36 -","2","1","","Rajendra S. Dhayal; Jian-Hong Liao; Yan-Ru Lin; Ping-Kuei Liao; Samia Kahlal; Jean-Yves Saillard; C. W. Liu","A Nanospheric Polyhydrido Copper Cluster of Elongated Triangular Orthobicupola Array: Liberation of H2 from Solar Energy","Journal of the American Chemical Society","2013","135","","4704","4707","10.1021/ja401576s","","","0.71073","MoKα","","0.0666","0.0476","","","0.1172","0.1323","","","","","","1.023","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119522","7.3246","0.0015","8.864","0.0018","15.446","0.003","82.46","0.03","84.33","0.03","74.63","0.03","956.5","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C50 H40 N4 O6 -","2","1","","Chuan-Hu Lei; De-Xian Wang; Liang Zhao; Jieping Zhu; Mei-Xiang Wang","Synthesis of Substituted Pyridines from Cascade [1 + 5] Cycloaddition of Isonitriles to N-Formylmethyl-Substituted Enamides, Aerobic Oxidative Aromatization, and Acyl Transfer Reaction","Journal of the American Chemical Society","2013","135","","4708","4711","10.1021/ja401701x","","","0.71073","MoKα","","0.0648","0.058","","","0.1292","0.1338","","","","","","1.123","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119523","10.985","0.002","11.022","0.002","11.542","0.002","77.49","0.03","76.3","0.03","82.6","0.03","1321","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H23 Cl N2 O4 -","- C32 H23 Cl N2 O4 -","- C64 H46 Cl2 N4 O8 -","2","1","","Chuan-Hu Lei; De-Xian Wang; Liang Zhao; Jieping Zhu; Mei-Xiang Wang","Synthesis of Substituted Pyridines from Cascade [1 + 5] Cycloaddition of Isonitriles to N-Formylmethyl-Substituted Enamides, Aerobic Oxidative Aromatization, and Acyl Transfer Reaction","Journal of the American Chemical Society","2013","135","","4708","4711","10.1021/ja401701x","","","0.71073","MoKα","","0.0751","0.0615","","","0.1276","0.135","","","","","","1.123","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119524","12.8677","0.0002","14.693","0.0003","20.5146","0.0014","102.498","0.007","105.29","0.007","98.781","0.007","3560.9","0.3","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H78 B2 Fe2 N8 O5 -","- C84 H78 B2 Fe2 N8 O5 -","- C168 H156 B4 Fe4 N16 O10 -","2","1","","Sheng Zheng; Timothy C. Berto; Eric W. Dahl; Melissa B. Hoffman; Amy L. Speelman; Nicolai Lehnert","The Functional Model Complex [Fe2(BPMP)(OPr)(NO)2](BPh4)2 Provides Insight into the Mechanism of Flavodiiron NO Reductases","Journal of the American Chemical Society","2013","135","","4902","4905","10.1021/ja309782m","","","1.54178","CuKα","","0.0627","0.0574","","","0.1504","0.155","","","","","","1.099","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119525","10.6316","0.001","11.4107","0.0011","13.3274","0.0012","101.395","0.002","97.884","0.002","108.634","0.002","1466.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H48 F Ir O P2 -","- C31 H48 F Ir O P2 -","- C62 H96 F2 Ir2 O2 P4 -","2","1","","Sabuj Kundu; Jongwook Choi; David Y. Wang; Yuriy Choliy; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of Ether, Ester, and Tosylate C(sp3)-O Bonds by an Iridium Complex, Initiated by Oxidative Addition of C-H Bonds. Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","5127","5143","10.1021/ja312464b","","","0.71073","MoKα","","0.0263","0.0234","","","0.0548","0.056","","","","","","1.006","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119526","10.7204","0.0003","11.6493","0.0003","13.4921","0.0003","102.108","0.001","96.18","0.001","110.906","0.001","1507.99","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H46 F3 Ir O P2 -","- C31 H46 F3 Ir O P2 -","- C62 H92 F6 Ir2 O2 P4 -","2","1","","Sabuj Kundu; Jongwook Choi; David Y. Wang; Yuriy Choliy; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of Ether, Ester, and Tosylate C(sp3)-O Bonds by an Iridium Complex, Initiated by Oxidative Addition of C-H Bonds. Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","5127","5143","10.1021/ja312464b","","","0.71073","MoKα","","0.0221","0.0207","","","0.0479","0.0485","","","","","","1.002","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119527","19.459","0.003","10.2015","0.0013","15.9","0.002","90","","97.035","0.002","90","","3132.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 Ir O2 P2 -","- C32 H51 Ir O2 P2 -","- C128 H204 Ir4 O8 P8 -","4","1","","Sabuj Kundu; Jongwook Choi; David Y. Wang; Yuriy Choliy; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of Ether, Ester, and Tosylate C(sp3)-O Bonds by an Iridium Complex, Initiated by Oxidative Addition of C-H Bonds. Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","5127","5143","10.1021/ja312464b","","","0.71073","MoKα","","0.0683","0.0418","","","0.0846","0.094","","","","","","1.001","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119528","8.6056","0.0008","18.8208","0.0018","17.0057","0.0017","90","","94.877","0.002","90","","2744.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H49 Ir O2 P2 -","- C27 H49 Ir O2 P2 -","- C108 H196 Ir4 O8 P8 -","4","1","","Sabuj Kundu; Jongwook Choi; David Y. Wang; Yuriy Choliy; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of Ether, Ester, and Tosylate C(sp3)-O Bonds by an Iridium Complex, Initiated by Oxidative Addition of C-H Bonds. Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","5127","5143","10.1021/ja312464b","","","0.71073","MoKα","","0.0332","0.0296","","","0.077","0.0798","","","","","","1.007","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119529","8.5618","0.0005","18.946","0.001","19.7697","0.001","90","","100.961","0.001","90","","3148.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H51 Ir O2 P2 -","- C32 H51 Ir O2 P2 -","- C128 H204 Ir4 O8 P8 -","4","1","","Sabuj Kundu; Jongwook Choi; David Y. Wang; Yuriy Choliy; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of Ether, Ester, and Tosylate C(sp3)-O Bonds by an Iridium Complex, Initiated by Oxidative Addition of C-H Bonds. Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","5127","5143","10.1021/ja312464b","","","0.71073","MoKα","","0.0288","0.0252","","","0.0565","0.0577","","","","","","1.008","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119530","10.597","0.002","10.845","0.002","15.489","0.003","97.612","0.006","96.676","0.006","109.943","0.006","1633.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H44 Ir O2 P2 -","- C32 H48 Ir O2 P2 -","- C64 H96 Ir2 O4 P4 -","2","1","","Sabuj Kundu; Jongwook Choi; David Y. Wang; Yuriy Choliy; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of Ether, Ester, and Tosylate C(sp3)-O Bonds by an Iridium Complex, Initiated by Oxidative Addition of C-H Bonds. Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","5127","5143","10.1021/ja312464b","","","0.71073","MoKα","","0.0426","0.0348","","","0.0913","0.1152","","","","","","0.969","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119531","14.7049","0.001","11.1407","0.0008","17.7742","0.0012","90","","111.957","0.001","90","","2700.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H45.53 Ir O2 P2 -","- C26 H45.542 Ir O2 P2 -","- C104 H182.168 Ir4 O8 P8 -","4","1","","Sabuj Kundu; Jongwook Choi; David Y. Wang; Yuriy Choliy; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of Ether, Ester, and Tosylate C(sp3)-O Bonds by an Iridium Complex, Initiated by Oxidative Addition of C-H Bonds. Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","5127","5143","10.1021/ja312464b","","","0.71073","MoKα","","0.0311","0.0277","","","0.0674","0.069","","","","","","1.003","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119532","12.0304","0.0008","18.5067","0.0012","19.0177","0.0013","89.576","0.001","74.35","0.001","88.38","0.001","4075.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H47 Ir O2 P2 -","- C26 H47 Ir O2 P2 -","- C156 H282 Ir6 O12 P12 -","6","3","","Sabuj Kundu; Jongwook Choi; David Y. Wang; Yuriy Choliy; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of Ether, Ester, and Tosylate C(sp3)-O Bonds by an Iridium Complex, Initiated by Oxidative Addition of C-H Bonds. Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","5127","5143","10.1021/ja312464b","","","0.71073","MoKα","","0.0489","0.0356","","","0.0766","0.0813","","","","","","1.004","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119533","10.7671","0.0006","11.7049","0.0007","12.9622","0.0007","84.888","0.001","73.086","0.001","86.327","0.001","1555.47","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H49 Ir O2 P2 -","- C31 H49 Ir O2 P2 -","- C62 H98 Ir2 O4 P4 -","2","1","","Sabuj Kundu; Jongwook Choi; David Y. Wang; Yuriy Choliy; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of Ether, Ester, and Tosylate C(sp3)-O Bonds by an Iridium Complex, Initiated by Oxidative Addition of C-H Bonds. Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","5127","5143","10.1021/ja312464b","","","0.71073","MoKα","","0.0257","0.0231","","","0.0546","0.0558","","","","","","1.001","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119534","7.9911","0.0006","20.8473","0.0017","19.9171","0.0016","90","","96.929","0.001","90","","3293.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H53 Ir O3 P2 S -","- C32 H53 Ir O3 P2 S -","- C128 H212 Ir4 O12 P8 S4 -","4","1","","Sabuj Kundu; Jongwook Choi; David Y. Wang; Yuriy Choliy; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of Ether, Ester, and Tosylate C(sp3)-O Bonds by an Iridium Complex, Initiated by Oxidative Addition of C-H Bonds. Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","5127","5143","10.1021/ja312464b","","","0.71073","MoKα","","0.0377","0.0291","","","0.0634","0.0664","","","","","","1.004","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119535","8.1797","0.0006","20.2007","0.0015","19.8697","0.0015","90","","93.46","0.001","90","","3277.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H51 Ir O3 P2 S -","- C31 H51 Ir O3 P2 S -","- C124 H204 Ir4 O12 P8 S4 -","4","1","","Sabuj Kundu; Jongwook Choi; David Y. Wang; Yuriy Choliy; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of Ether, Ester, and Tosylate C(sp3)-O Bonds by an Iridium Complex, Initiated by Oxidative Addition of C-H Bonds. Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","5127","5143","10.1021/ja312464b","","","0.71073","MoKα","","0.0701","0.0546","","","0.1353","0.1444","","","","","","1.002","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119536","7.5604","0.0008","8.4967","0.0009","13.0169","0.0014","85.469","0.004","78.082","0.003","66.35","0.003","749.44","0.14","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- F20 H3.5 Sb2.5 Xe -","- F20 Sb2.5 Xe -","- F40 Sb5 Xe2 -","2","1","","David S. Brock; Hélène P. A. Mercier; Gary J. Schrobilgen","[H(OXeF2)n][AsF6] and [FXeII(OXeIVF2)n][AsF6] (n= 1, 2): Examples of Xenon(IV) Hydroxide Fluoride and Oxide Fluoride Cations and the Crystal Structures of [F3Xe—FH][Sb2F11] and [H5F4][SbF6].2[F3Xe—FH][Sb2F11]","Journal of the American Chemical Society","2013","135","","5089","5104","10.1021/ja312493j","","","0.71073","MoKα","","0.0418","0.0389","","","0.0991","0.1011","","","","","","1.158","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119537","13.412","0.0004","8.4709","0.0004","10.4543","0.0004","90","","110.493","0.002","90","","1112.57","0.08","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F15 H Sb2 Xe -","- F15 Sb2 Xe -","- F60 Sb8 Xe4 -","4","0.5","","David S. Brock; Hélène P. A. Mercier; Gary J. Schrobilgen","[H(OXeF2)n][AsF6] and [FXeII(OXeIVF2)n][AsF6] (n= 1, 2): Examples of Xenon(IV) Hydroxide Fluoride and Oxide Fluoride Cations and the Crystal Structures of [F3Xe—FH][Sb2F11] and [H5F4][SbF6].2[F3Xe—FH][Sb2F11]","Journal of the American Chemical Society","2013","135","","5089","5104","10.1021/ja312493j","","","0.71073","MoKα","","0.0321","0.025","","","0.0562","0.0582","","","","","","1.15","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119538","5.233","0.0002","15.6029","0.0004","9.0388","0.0002","90","","111.534","0.001","90","","686.5","0.04","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- F9 Sb Xe -","- F9 Sb Xe -","- F36 Sb4 Xe4 -","4","1","","David S. Brock; Hélène P. A. Mercier; Gary J. Schrobilgen","[H(OXeF2)n][AsF6] and [FXeII(OXeIVF2)n][AsF6] (n= 1, 2): Examples of Xenon(IV) Hydroxide Fluoride and Oxide Fluoride Cations and the Crystal Structures of [F3Xe—FH][Sb2F11] and [H5F4][SbF6].2[F3Xe—FH][Sb2F11]","Journal of the American Chemical Society","2013","135","","5089","5104","10.1021/ja312493j","","","0.71073","MoKα","","0.0292","0.0262","","","0.0604","0.0612","","","","","","1.195","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119539","14.1428","0.0004","19.4442","0.0004","19.5444","0.0003","89.6316","0.0013","70.6096","0.0013","85.402","0.0012","5052.3","0.2","200","","200","","","","","","","","local","7","P -1","-P 1","2","","","","- C72 H90 Au4 B4 N24 O9 W4 -","- C72 H88 Au4 B4 N24 O9 W4 -","- C144 H176 Au8 B8 N48 O18 W8 -","2","1","","Elliot S. Borren; Anthony F. Hill; Rong Shang; Manab Sharma; Anthony C. Willis","A Golden Ring: Molecular Gold Carbido Complexes","Journal of the American Chemical Society","2013","135","","4942","4945","10.1021/ja400128h","","","0.71073","MoKα","","0.0959","0.0724","","0.2197","0.1947","0.2196","","","","","","0.9588","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119540","9.2144","0.0012","9.3239","0.0012","9.5262","0.0013","90","","109.663","0.006","90","","770.71","0.18","106","","106","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H22 O3 S2 -","- C14 H22 O3 S2 -","- C28 H44 O6 S4 -","2","1","","Hao Jiang; David Cruz Cruz; Yang Li; Vibeke Henriette Lauridsen; Karl Anker Jørgensen","Asymmetric Organocatalytic Thio-Diels-Alder Reactions via Trienamine Catalysis","Journal of the American Chemical Society","2013","135","","5200","5207","10.1021/ja4007244","","","0.71073","MoKα","","0.0308","0.0284","","","0.0721","0.0741","","","","","","1.054","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119541","9.8333","0.0019","11.167","0.003","19.774","0.003","78.661","0.007","76.78","0.005","88.148","0.008","2072.4","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H45 B Fe P2 -","- C54 H45 B Fe P2 -","- C108 H90 B2 Fe2 P4 -","2","1","","Daniel L. M. Suess; Jonas C. Peters","H-H and Si-H Bond Addition to Fe\τbNNR2 Intermediates Derived from N2","Journal of the American Chemical Society","2013","135","","4938","4941","10.1021/ja400836u","","","0.71073","MoKα","","0.0929","0.0505","","","0.1162","0.1311","","","","","","0.987","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119542","18.921","0.003","9.9768","0.0012","31.705","0.004","90","","104.872","0.008","90","","5784.5","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H41 B Br Fe P2 -","- C30 H41 B Br Fe P2 -","- C240 H328 B8 Br8 Fe8 P16 -","8","1","","Daniel L. M. Suess; Jonas C. Peters","H-H and Si-H Bond Addition to Fe\τbNNR2 Intermediates Derived from N2","Journal of the American Chemical Society","2013","135","","4938","4941","10.1021/ja400836u","","","0.71073","MoKα","","0.0675","0.0414","","","0.0929","0.1012","","","","","","1.039","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119543","10.5707","0.0008","19.9433","0.0014","20.5612","0.0015","118.196","0.003","97.76","0.004","92.754","0.003","3754.1","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H57 B Fe N2 P2 Si2 -","- C36 H57 B Fe N2 P2 Si2 -","- C144 H228 B4 Fe4 N8 P8 Si8 -","4","2","","Daniel L. M. Suess; Jonas C. Peters","H-H and Si-H Bond Addition to Fe\τbNNR2 Intermediates Derived from N2","Journal of the American Chemical Society","2013","135","","4938","4941","10.1021/ja400836u","","","0.71073","MoKα","","0.069","0.0378","","","0.0824","0.0937","","","","","","1.003","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119544","13.608","0.0005","22.6752","0.0007","18.8057","0.0007","90","","103.366","0.001","90","","5645.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H82 B2 Fe2 N2 P4 -","- C60 H82 B2 Fe2 N2 P4 -","- C240 H328 B8 Fe8 N8 P16 -","4","1","","Daniel L. M. Suess; Jonas C. Peters","H-H and Si-H Bond Addition to Fe\τbNNR2 Intermediates Derived from N2","Journal of the American Chemical Society","2013","135","","4938","4941","10.1021/ja400836u","","","0.71073","MoKα","","0.0668","0.0359","","","0.0795","0.0916","","","","","","1.023","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119545","10.167","0.015","12.843","0.012","18.21","0.03","99.79","0.05","95.23","0.05","101.42","0.05","2277","6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H65 B Fe N2 P2 Si3 -","- C42 H65 B Fe N2 P2 Si3 -","- C84 H130 B2 Fe2 N4 P4 Si6 -","2","1","","Daniel L. M. Suess; Jonas C. Peters","H-H and Si-H Bond Addition to Fe\τbNNR2 Intermediates Derived from N2","Journal of the American Chemical Society","2013","135","","4938","4941","10.1021/ja400836u","","","0.073","synchrotron","","0.0648","0.0543","","","0.1547","0.1615","","","","","","1.068","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119546","12.2122","0.0007","13.2685","0.0008","16.1433","0.0012","88.967","0.003","80.813","0.003","84.376","0.002","2569.8","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H67 B Fe N2 O2 P2 Si2 -","- C56 H66.364 B Fe N2 O2 P2 Si2 -","- C112 H132.728 B2 Fe2 N4 O4 P4 Si4 -","2","1","","Daniel L. M. Suess; Jonas C. Peters","H-H and Si-H Bond Addition to Fe\τbNNR2 Intermediates Derived from N2","Journal of the American Chemical Society","2013","135","","4938","4941","10.1021/ja400836u","","","0.71073","MoKα","","0.0607","0.0371","","","0.107","0.1162","","","","","","1.04","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119547","10.7196","0.0006","18.1906","0.0011","21.7101","0.001","90","","92.637","0.002","90","","4228.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H49 B Fe N2 P2 Si2 -","- C48 H49 B Fe N2 P2 Si2 -","- C192 H196 B4 Fe4 N8 P8 Si8 -","4","1","","Daniel L. M. Suess; Jonas C. Peters","H-H and Si-H Bond Addition to Fe\τbNNR2 Intermediates Derived from N2","Journal of the American Chemical Society","2013","135","","4938","4941","10.1021/ja400836u","","","0.71073","MoKα","","0.075","0.0407","","","0.0901","0.1024","","","","","","1.012","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119548","9.6143","0.0006","9.771","0.0005","19.9222","0.0014","87.525","0.003","88.376","0.004","68.912","0.002","1744.39","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H33 B Br Fe P2 -","- C42 H33 B Br Fe P2 -","- C84 H66 B2 Br2 Fe2 P4 -","2","1","","Daniel L. M. Suess; Jonas C. Peters","H-H and Si-H Bond Addition to Fe\τbNNR2 Intermediates Derived from N2","Journal of the American Chemical Society","2013","135","","4938","4941","10.1021/ja400836u","","","0.71073","MoKα","","0.0774","0.0461","","","0.1122","0.1196","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119549","19.7295","0.0004","11.3958","0.0002","21.2743","0.0004","90","","107.549","0.001","90","","4560.56","0.15","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 Br3 Cl3 Ir N9 Pd -","- C38 H48 Br3 Cl3 Ir N9 Pd -","- C152 H192 Br12 Cl12 Ir4 N36 Pd4 -","4","1","","Ramananda Maity; Hannah Koppetz; Alexander Hepp; F. Ekkehardt Hahn","Heterobimetallic Carbene Complexes by a Single-Step Site-Selective Metalation of a Tricarbene Ligand","Journal of the American Chemical Society","2013","135","","4966","4969","10.1021/ja401546h","","","0.71073","MoKα","","0.0479","0.03","","","0.061","0.0666","","","","","","1.075","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119550","10.254","0.011","6.962","0.008","11.58","0.013","90","","110.196","0.016","90","","775.9","1.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H20 Br2 O -","- C17 H20 Br2 O -","- C34 H40 Br4 O2 -","2","1","","Gerri E. Hutson; Yunus E. Türkmen; Viresh H. Rawal","Salen Promoted Enantioselective Nazarov Cyclizations of Activated and Unactivated Dienones","Journal of the American Chemical Society","2013","135","","4988","4991","10.1021/ja401908m","","","0.71073","MoKα","","0.1242","0.0891","","","0.2063","0.2237","","","","","","0.967","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119551","19.636","0.0004","12.1674","0.0002","11.4299","0.0002","90","","119.202","0.003","90","","2383.75","0.1","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H11.56 Cl0.89 N0.89 O3.56 Rh0.89 -","- C8 H11.5556 Cl0.888889 N0.888889 O3.55556 Rh0.888889 -","- C72 H104 Cl8 N8 O32 Rh8 -","9","1.125","","Megan H. Shaw; Ekaterina Y. Melikhova; Daniel P. Kloer; William G. Whittingham; John F. Bower","Directing Group Enhanced Carbonylative Ring Expansions of Amino-Substituted Cyclopropanes: Rhodium-Catalyzed Multicomponent Synthesis of N-Heterobicyclic Enones","Journal of the American Chemical Society","2013","135","","4992","4995","10.1021/ja401936c","","","1.54184","CuKα","","0.0209","0.0189","","0.0503","0.049","0.0501","","","","","","0.9942","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119552","8.0198","0.0014","8.3657","0.0014","8.8594","0.0015","67.972","0.005","87.261","0.004","71.917","0.005","522.19","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 N O3 -","- C11 H14 N O3 -","- C22 H28 N2 O6 -","2","1","","Megan H. Shaw; Ekaterina Y. Melikhova; Daniel P. Kloer; William G. Whittingham; John F. Bower","Directing Group Enhanced Carbonylative Ring Expansions of Amino-Substituted Cyclopropanes: Rhodium-Catalyzed Multicomponent Synthesis of N-Heterobicyclic Enones","Journal of the American Chemical Society","2013","135","","4992","4995","10.1021/ja401936c","","","1.54178","CuKα","","0.0508","0.0495","","","0.1397","0.1411","","","","","","1.062","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119553","11.3128","0.0004","10.1697","0.0004","12.9898","0.0005","90","","102.653","0.002","90","","1458.15","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","","Megan H. Shaw; Ekaterina Y. Melikhova; Daniel P. Kloer; William G. Whittingham; John F. Bower","Directing Group Enhanced Carbonylative Ring Expansions of Amino-Substituted Cyclopropanes: Rhodium-Catalyzed Multicomponent Synthesis of N-Heterobicyclic Enones","Journal of the American Chemical Society","2013","135","","4992","4995","10.1021/ja401936c","","","0.71073","MoKα","","0.044","0.0355","","","0.0859","0.0915","","","","","","1.033","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119554","13.1242","0.0004","15.462","0.0004","17.2687","0.0007","90","","90","","90","","3504.3","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 Cl2 Ge N5 -","- C33 H43 Cl2 Ge N5 -","- C132 H172 Cl8 Ge4 N20 -","4","1","","Yun Xiong; Shenglai Yao; Gengwen Tan; Shigeyoshi Inoue; Matthias Driess","A Cyclic Germadicarbene (""Germylone"") from Germyliumylidene","Journal of the American Chemical Society","2013","135","","5004","5007","10.1021/ja402477w","","","0.71073","MoKα","","0.0528","0.0448","","","0.0913","0.0944","","","","","","1.058","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119555","12.5347","0.0002","21.3341","0.0003","14.5859","0.0002","90","","101.883","0.001","90","","3816.92","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41.5 H52 Ge N4 -","- C41.5 H52 Ge N4 -","- C166 H208 Ge4 N16 -","4","1","","Yun Xiong; Shenglai Yao; Gengwen Tan; Shigeyoshi Inoue; Matthias Driess","A Cyclic Germadicarbene (""Germylone"") from Germyliumylidene","Journal of the American Chemical Society","2013","135","","5004","5007","10.1021/ja402477w","","","1.5418","CuKα","","0.0445","0.0376","","","0.1021","0.1083","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119556","8.242","0.006","8.242","0.006","11.584","0.01","90","","90","","90","","786.9","1.1","113","2","113","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C10 H16 Co K N8 -","- C10 H16 Co K N8 -","- C20 H32 Co2 K2 N16 -","2","0.125","","Wen Zhang; Heng-Yun Ye; Robert Graf; Hans W. Spiess; Ye-Feng Yao; Run-Qiang Zhu; Ren-Gen Xiong","Tunable and Switchable Dielectric Constant in an Amphidynamic Crystal","Journal of the American Chemical Society","2013","135","","5230","5233","10.1021/ja3110335","","","0.71073","MoKα","","0.0567","0.0565","","","0.119","0.1191","","","","","","1.369","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119557","8.2895","0.0013","8.2895","0.0013","11.621","0.003","90","","90","","90","","798.5","0.3","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C10 H16 Co K N8 -","- C10 H16 Co K N8 -","- C20 H32 Co2 K2 N16 -","2","0.125","","Wen Zhang; Heng-Yun Ye; Robert Graf; Hans W. Spiess; Ye-Feng Yao; Run-Qiang Zhu; Ren-Gen Xiong","Tunable and Switchable Dielectric Constant in an Amphidynamic Crystal","Journal of the American Chemical Society","2013","135","","5230","5233","10.1021/ja3110335","","","0.71073","MoKα","","0.0348","0.0344","","","0.0904","0.0906","","","","","","1.412","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119558","8.2371","0.0013","8.2371","0.0013","11.6","0.004","90","","90","","90","","787.1","0.3","113","2","113","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C10 H12 Co D4 K N8 -","- C10 H12 Co D4 K N8 -","- C20 H24 Co2 D8 K2 N16 -","2","0.125","","Wen Zhang; Heng-Yun Ye; Robert Graf; Hans W. Spiess; Ye-Feng Yao; Run-Qiang Zhu; Ren-Gen Xiong","Tunable and Switchable Dielectric Constant in an Amphidynamic Crystal","Journal of the American Chemical Society","2013","135","","5230","5233","10.1021/ja3110335","","","0.71073","MoKα","","0.0926","0.0926","","","0.198","0.198","","","","","","1.31","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119559","8.277","0.005","8.277","0.005","11.622","0.009","90","","90","","90","","796.2","0.9","280","2","280","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C10 H12 Co D4 K N8 -","- C10 H12 Co D4 K N8 -","- C20 H24 Co2 D8 K2 N16 -","2","0.125","","Wen Zhang; Heng-Yun Ye; Robert Graf; Hans W. Spiess; Ye-Feng Yao; Run-Qiang Zhu; Ren-Gen Xiong","Tunable and Switchable Dielectric Constant in an Amphidynamic Crystal","Journal of the American Chemical Society","2013","135","","5230","5233","10.1021/ja3110335","","","0.71073","MoKα","","0.0498","0.0487","","","0.117","0.1179","","","","","","1.228","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119560","7.0823","0.0011","10.4444","0.0015","22.098","0.003","90","","90","","90","","1634.6","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","06094","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","1","","Elizabeth H. Krenske; Shuzhong He; Jian Huang; Yunfei Du; K. N. Houk; Richard P. Hsung","Intramolecular Oxyallyl-Carbonyl (3 + 2) Cycloadditions","Journal of the American Chemical Society","2013","135","","5242","5245","10.1021/ja312459b","","","0.71073","MoKα","","0.0327","0.0287","","","0.0672","0.069","","","","","","1.051","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119561","20.097","0.003","20.097","0.003","14.3196","0.0019","90","","90","","120","","5008.7","1.2","273","","273","","","","","","","","","5","P 32","P 32","145","","","","- C39 H37 N5 O3 Zn -","- C39.5 H38 N5.25 O3 Zn -","- C237 H228 N31.5 O18 Zn6 -","6","2","","Yoshinao Shinozaki; Gary Richards; Keizo Ogawa; Akihito Yamano; Kazuaki Ohara; Kentaro Yamaguchi; Shin-ichiro Kawano; Kentaro Tanaka; Yasuyuki Araki; Takehiko Wada; Joe Otsuki","Double Helices of a Pyridine-Appended Zinc Chlorophyll Derivative","Journal of the American Chemical Society","2013","135","","5262","5265","10.1021/ja400493e","","","0.71075","MoKα","","","0.0727","","","","0.212","","","","","","1.102","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119562","35.579","0.007","4.6135","0.0009","12.995","0.003","90","","105.18","0.03","90","","2058.6","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Br F N O2 -","- C10 H9 Br F N O2 -","- C80 H72 Br8 F8 N8 O16 -","8","1","","Xiaochen Ji; Huawen Huang; Wanqing Wu; Huanfeng Jiang","Palladium-Catalyzed Intermolecular Dehydrogenative Aminohalogenation of Alkenes under Molecular Oxygen: An Approach to Brominated Enamines","Journal of the American Chemical Society","2013","135","","5286","5289","10.1021/ja401034g","","","0.71073","MoKα","","0.0955","0.0436","","","0.0965","0.1219","","","","","","1.009","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119563","3.967213","0.000022","3.967213","0.000022","41.2847","0.0004","90","","90","","90","","649.771","0.008","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Bi3 O2 S3 -","- Bi3 O2 S3 -","- Bi12 O8 S12 -","4","0.125","","W. Adam Phelan; David C. Wallace; Kathryn E. Arpino; James R. Neilson; Kenneth J. Livi; Che R. Seabourne; Andrew J. Scott; Tyrel M. McQueen","Stacking Variants and Superconductivity in the Bi-O-S System","Journal of the American Chemical Society","2013","135","","5372","5374","10.1021/ja4011767","","","","","","","","","","","","","","","","","","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119564","16.7864","0.0002","18.5842","0.0003","18.8141","0.0003","90","","90","","90","","5869.28","0.15","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H32 Br2 O2 -","- C35 H32 Br2 O2 -","- C280 H256 Br16 O16 -","8","1","","Chien-Tien Chen; Chien-Hsiang Chen; Tiow-Gan Ong","Complementary Helicity Interchange of Optically Switchable Supramolecular-Enantiomeric Helicenes with (-)-Gel-Sol-(+)-Gel Transition Ternary Logic","Journal of the American Chemical Society","2013","135","","5294","5297","10.1021/ja401214t","","","0.71073","MoKα","","0.1008","0.0556","","","0.128","0.1548","","","","","","1.166","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119565","13.7342","0.0013","19.8332","0.0018","21.935","0.002","90","","90","","90","","5974.9","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H38 N4 O6 S2 -","- C31 H38 N4 O6 S2 -","- C248 H304 N32 O48 S16 -","8","1","","Yan Yan; Saarangan Krishnakumar; Huan Yu; Srinivas Ramishetti; Lih-Wen Deng; Suhua Wang; Leaf Huang; Dejian Huang","Nickel(II) Dithiocarbamate Complexes Containing Sulforhodamine B as Fluorescent Probes for Selective Detection of Nitrogen Dioxide","Journal of the American Chemical Society","2013","135","","5312","5315","10.1021/ja401555y","","","0.71073","MoKα","","0.1413","0.1192","","","0.3023","0.3133","","","","","","1.06","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119566","12.613","0.002","19.375","0.003","14.109","0.002","90","","95.196","0.004","90","","3433.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 N4 O10 S2 -","- C31 H38 N4 O10 S2 -","- C124 H152 N16 O40 S8 -","4","1","","Yan Yan; Saarangan Krishnakumar; Huan Yu; Srinivas Ramishetti; Lih-Wen Deng; Suhua Wang; Leaf Huang; Dejian Huang","Nickel(II) Dithiocarbamate Complexes Containing Sulforhodamine B as Fluorescent Probes for Selective Detection of Nitrogen Dioxide","Journal of the American Chemical Society","2013","135","","5312","5315","10.1021/ja401555y","","","0.71073","MoKα","","0.1295","0.0913","","","0.2439","0.2683","","","","","","1.048","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119567","23.5047","0.0006","11.9644","0.0003","23.5149","0.0006","90","","90","","90","","6612.9","0.3","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C56 H102 Co N3 O S Si6 U -","- C56 H102 Co N3 O S Si6 U -","- C224 H408 Co4 N12 O4 S4 Si24 U4 -","4","1","","Jessie L. Brown; Skye Fortier; Guang Wu; Nikolas Kaltsoyannis; Trevor W. Hayton","Synthesis and Spectroscopic and Computational Characterization of the Chalcogenido-Substituted Analogues of the Uranyl Ion, [OUE]2+ (E = S, Se)","Journal of the American Chemical Society","2013","135","","5352","5355","10.1021/ja402068j","","","0.71073","MoKα","","0.0678","0.0532","","","0.1268","0.1385","","","","","","1.076","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119568","23.5018","0.0013","12.0015","0.0006","23.5553","0.0013","90","","90","","90","","6643.9","0.6","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C54 H104 Co N3 O2 Se Si6 U -","- C54 H104 Co N3 O2 Se Si6 U -","- C216 H416 Co4 N12 O8 Se4 Si24 U4 -","4","1","","Jessie L. Brown; Skye Fortier; Guang Wu; Nikolas Kaltsoyannis; Trevor W. Hayton","Synthesis and Spectroscopic and Computational Characterization of the Chalcogenido-Substituted Analogues of the Uranyl Ion, [OUE]2+ (E = S, Se)","Journal of the American Chemical Society","2013","135","","5352","5355","10.1021/ja402068j","","","0.71073","MoKα","","0.0808","0.0548","","","0.1424","0.1531","","","","","","1.144","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119569","11.0157","0.0003","15.1067","0.0003","16.2338","0.0004","88.58","0.001","84.525","0.001","73.109","0.002","2573.13","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H84 Co N3 O2 Si6 U -","- C38 H84 Co N3 O2 Si6 U -","- C76 H168 Co2 N6 O4 Si12 U2 -","2","1","","Jessie L. Brown; Skye Fortier; Guang Wu; Nikolas Kaltsoyannis; Trevor W. Hayton","Synthesis and Spectroscopic and Computational Characterization of the Chalcogenido-Substituted Analogues of the Uranyl Ion, [OUE]2+ (E = S, Se)","Journal of the American Chemical Society","2013","135","","5352","5355","10.1021/ja402068j","","","0.71073","MoKα","","0.0716","0.052","","","0.132","0.1457","","","","","","0.972","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119570","9.06579","0.00011","10.63399","0.00013","30.8521","0.0005","90","","90","","90","","2974.31","0.07","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H30 Fe N4 O4 -","- C35 H30 Fe N4 O4 -","- C140 H120 Fe4 N16 O16 -","4","1","","Qing-Hai Deng; Tim Bleith; Hubert Wadepohl; Lutz H. Gade","Enantioselective Iron-Catalyzed Azidation of β-Keto Esters and Oxindoles","Journal of the American Chemical Society","2013","135","","5356","5359","10.1021/ja402082p","","x-ray","1.5418","CuKα","","0.0485","0.0447","","","0.1251","0.1271","","","","","","1.077","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119571","5.82402","0.00008","22.0575","0.0004","8.42973","0.00012","90","","98.8603","0.0012","90","","1069.99","0.03","110","1","110","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 Br2 N3 O3 -","- C22 H19 Br2 N3 O3 -","- C44 H38 Br4 N6 O6 -","2","1","","Qing-Hai Deng; Tim Bleith; Hubert Wadepohl; Lutz H. Gade","Enantioselective Iron-Catalyzed Azidation of β-Keto Esters and Oxindoles","Journal of the American Chemical Society","2013","135","","5356","5359","10.1021/ja402082p","","x-ray","1.5418","CuKα","","0.0257","0.0255","","","0.0666","0.0667","","","","","","1.075","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119572","12.1115","0.0004","12.3278","0.0003","12.5525","0.0004","90","","90","","90","","1874.19","0.1","110","1","110","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H14 Br F N4 O -","- C22 H14 Br F N4 O -","- C88 H56 Br4 F4 N16 O4 -","4","1","","Qing-Hai Deng; Tim Bleith; Hubert Wadepohl; Lutz H. Gade","Enantioselective Iron-Catalyzed Azidation of β-Keto Esters and Oxindoles","Journal of the American Chemical Society","2013","135","","5356","5359","10.1021/ja402082p","","x-ray","1.5418","CuKα","","0.0336","0.0335","","","0.0776","0.0776","","","","","","1.153","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119573","37.7722","0.0005","9.0101","0.0001","20.3354","0.0003","90","","100.158","0.0007","90","","6812.29","0.16","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","7","","","- C38 H48 S2 Zr -","- C38 H48 S2 Zr -","- C304 H384 S16 Zr8 -","8","1","","Gang He; Le Kang; William Torres Delgado; Olena Shynkaruk; Michael J. Ferguson; Robert McDonald; Eric Rivard","The Marriage of Metallacycle Transfer Chemistry with Suzuki-Miyaura Cross-Coupling To Give Main Group Element-Containing Conjugated Polymers","Journal of the American Chemical Society","2013","135","","5360","5363","10.1021/ja402242z","","","1.54178","CuKα","","0.0395","0.032","","","0.0833","0.0876","","","","","","1.025","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119574","14.9281","0.0005","20.0984","0.0006","12.9528","0.0004","90","","115.431","0.001","90","","3509.68","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1","","","- C37 H50 B2 O4 Zr -","- C37 H50 B2 O4 Zr -","- C148 H200 B8 O16 Zr4 -","4","1","","Gang He; Le Kang; William Torres Delgado; Olena Shynkaruk; Michael J. Ferguson; Robert McDonald; Eric Rivard","The Marriage of Metallacycle Transfer Chemistry with Suzuki-Miyaura Cross-Coupling To Give Main Group Element-Containing Conjugated Polymers","Journal of the American Chemical Society","2013","135","","5360","5363","10.1021/ja402242z","","","1.54178","CuKα","","0.0561","0.0524","","","0.134","0.1379","","","","","","1.034","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119575","19.435","0.002","7.3864","0.0008","16.1312","0.0017","90","","112.987","0.001","90","","2131.8","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2","","","- C20 H34 B2 O4 -","- C20 H34 B2 O4 -","- C80 H136 B8 O16 -","4","0.5","","Gang He; Le Kang; William Torres Delgado; Olena Shynkaruk; Michael J. Ferguson; Robert McDonald; Eric Rivard","The Marriage of Metallacycle Transfer Chemistry with Suzuki-Miyaura Cross-Coupling To Give Main Group Element-Containing Conjugated Polymers","Journal of the American Chemical Society","2013","135","","5360","5363","10.1021/ja402242z","","","0.71073","MoKα","","0.0549","0.0459","","","0.1258","0.1333","","","","","","1.074","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119576","12.6316","0.0002","12.3613","0.0002","27.6424","0.0005","90","","94.0824","0.0006","90","","4305.22","0.12","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3","","","- C20 H32 B2 O4 S -","- C20 H32 B2 O4 S -","- C160 H256 B16 O32 S8 -","8","1","","Gang He; Le Kang; William Torres Delgado; Olena Shynkaruk; Michael J. Ferguson; Robert McDonald; Eric Rivard","The Marriage of Metallacycle Transfer Chemistry with Suzuki-Miyaura Cross-Coupling To Give Main Group Element-Containing Conjugated Polymers","Journal of the American Chemical Society","2013","135","","5360","5363","10.1021/ja402242z","","","1.54178","CuKα","","0.0473","0.0469","","","0.131","0.1312","","","","","","1.159","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119577","12.6318","0.0007","12.3449","0.0007","27.8492","0.0016","90","","92.9904","0.0007","90","","4336.8","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4","","","- C20 H32 B2 O4 Se -","- C20 H32 B2 O4 Se -","- C160 H256 B16 O32 Se8 -","8","1","","Gang He; Le Kang; William Torres Delgado; Olena Shynkaruk; Michael J. Ferguson; Robert McDonald; Eric Rivard","The Marriage of Metallacycle Transfer Chemistry with Suzuki-Miyaura Cross-Coupling To Give Main Group Element-Containing Conjugated Polymers","Journal of the American Chemical Society","2013","135","","5360","5363","10.1021/ja402242z","","","0.71073","MoKα","","0.0312","0.0275","","","0.076","0.0776","","","","","","1.073","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119578","12.784","0.001","12.309","0.001","28.395","0.002","90","","91.269","0.001","90","","4467.1","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5","","","- C20 H32 B2 O4 Te -","- C20 H32 B2 O4 Te -","- C160 H256 B16 O32 Te8 -","8","1","","Gang He; Le Kang; William Torres Delgado; Olena Shynkaruk; Michael J. Ferguson; Robert McDonald; Eric Rivard","The Marriage of Metallacycle Transfer Chemistry with Suzuki-Miyaura Cross-Coupling To Give Main Group Element-Containing Conjugated Polymers","Journal of the American Chemical Society","2013","135","","5360","5363","10.1021/ja402242z","","","0.71073","MoKα","","0.0539","0.0355","","","0.0743","0.081","","","","","","1.041","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119579","14.2799","0.001","18.3957","0.0014","18.5282","0.0013","90","","94.541","0.002","90","","4851.9","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","michael055a","michael055a","","- C108 H128 B2 Mn2 N14 O2 S2 -","- C108 H128 B2 Mn2 N14 O2 S2 -","- C216 H256 B4 Mn4 N28 O4 S4 -","2","0.5","","Michael K. Coggins; Xianru Sun; Yeonju Kwak; Edward I. Solomon; Elena Rybak-Akimova; Julie A. Kovacs","Characterization of Metastable Intermediates Formed in the Reaction between a Mn(II) Complex and Dioxygen, Including a Crystallographic Structure of a Binuclear Mn(III)-Peroxo Species","Journal of the American Chemical Society","2013","135","","5631","5640","10.1021/ja311166u","","","0.71073","MoKα","","0.1419","0.0613","","","0.1252","0.1614","","","","","","1.002","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119580","27.191","0.011","39.825","0.015","20.852","0.008","90","","96.369","0.003","90","","22441","15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C199 H166.5 B8 F32 Fe4 N27.5 O12 -","- C199 H166.5 B4 F16 Fe4 N27.5 O12 -","- C796 H666 B16 F64 Fe16 N110 O48 -","4","1","","Shucong Ma; Maarten M. J. Smulders; Yana R. Hristova; Jack K. Clegg; Tanya K. Ronson; Salvatore Zarra; Jonathan R. Nitschke","Chain-Reaction Anion Exchange between Metal-Organic Cages","Journal of the American Chemical Society","2013","135","","5678","5684","10.1021/ja311882h","","","0.6889","synchrotron","","0.1613","0.131","","","0.3031","0.3206","","","","","","1.487","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119581","20.495","0.009","25.67","0.012","25.757","0.015","118.873","0.017","109.64","0.04","93.55","0.03","10755","11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C212 H193.5 Cl8 Fe4 N29.5 O45.5 -","- C212 H193.5 Cl8 Fe4 N29.5 O45.5 -","- C424 H387 Cl16 Fe8 N59 O91 -","2","1","","Shucong Ma; Maarten M. J. Smulders; Yana R. Hristova; Jack K. Clegg; Tanya K. Ronson; Salvatore Zarra; Jonathan R. Nitschke","Chain-Reaction Anion Exchange between Metal-Organic Cages","Journal of the American Chemical Society","2013","135","","5678","5684","10.1021/ja311882h","","","0.6889","synchrotron","","0.1577","0.0915","","","0.2288","0.2801","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119582","7.5624","0.0005","9.2132","0.0006","9.7011","0.0006","100.366","0.003","99.102","0.003","104.809","0.003","627.81","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 O22 S4 Sc3 -","- C14 H15 O22 S4 Sc3 -","- C14 H15 O22 S4 Sc3 -","1","0.5","","Richard F. D'Vries; Victor A. de la Peña-O'Shea; Natalia Snejko; Marta Iglesias; Enrique Gutiérrez-Puebla; M. Angeles Monge","H3O2 Bridging Ligand in a Metal-Organic Framework. Insight into the Aqua-Hydroxo\λeftarrow\ρightarrowHydroxyl Equilibrium: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2013","135","","5782","5792","10.1021/ja4005046","","","1.54178","CuKα","","0.0261","0.0252","","","0.0715","0.0721","","","","","","1.063","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119583","7.5148","0.0012","9.527","0.0015","10.2296","0.0016","69.198","0.002","85.365","0.003","82.458","0.003","678.25","0.19","571","2","571","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 O23.13 S4 Sc3 -","- C14 H16 O23.128 S4 Sc3 -","- C14 H16 O23.128 S4 Sc3 -","1","0.5","","Richard F. D'Vries; Victor A. de la Peña-O'Shea; Natalia Snejko; Marta Iglesias; Enrique Gutiérrez-Puebla; M. Angeles Monge","H3O2 Bridging Ligand in a Metal-Organic Framework. Insight into the Aqua-Hydroxo\λeftarrow\ρightarrowHydroxyl Equilibrium: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2013","135","","5782","5792","10.1021/ja4005046","","","0.71073","MoKα","","0.0441","0.0348","","","0.0844","0.0878","","","","","","1.073","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119584","7.7832","0.0002","9.7208","0.0002","11.6659","0.0003","65.874","0.001","80.743","0.001","84.443","0.001","794.57","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H11 O15 S2 Sc3 -","- C7 H11 O15 S2 Sc3 -","- C14 H22 O30 S4 Sc6 -","2","1","","Richard F. D'Vries; Victor A. de la Peña-O'Shea; Natalia Snejko; Marta Iglesias; Enrique Gutiérrez-Puebla; M. Angeles Monge","H3O2 Bridging Ligand in a Metal-Organic Framework. Insight into the Aqua-Hydroxo\λeftarrow\ρightarrowHydroxyl Equilibrium: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2013","135","","5782","5792","10.1021/ja4005046","","","1.54178","CuKα","","0.0355","0.0337","","","0.0954","0.0967","","","","","","1.056","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119585","15.1476","0.0016","9.9236","0.001","14.1593","0.0015","90","","102.873","0.002","90","","2074.9","0.4","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C19 H15 N2 O10 S2 Sc -","- C19 H15 N2 O10 S2 Sc -","- C76 H60 N8 O40 S8 Sc4 -","4","1","","Richard F. D'Vries; Victor A. de la Peña-O'Shea; Natalia Snejko; Marta Iglesias; Enrique Gutiérrez-Puebla; M. Angeles Monge","H3O2 Bridging Ligand in a Metal-Organic Framework. Insight into the Aqua-Hydroxo\λeftarrow\ρightarrowHydroxyl Equilibrium: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2013","135","","5782","5792","10.1021/ja4005046","","","0.71073","MoKα","","0.126","0.069","","","0.1571","0.2018","","","","","","1.061","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119586","15.9922","0.0005","18.3461","0.0006","10.4644","0.0003","90","","97.504","0.003","90","","3043.9","0.16","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 Cl5 N4 O2 Ru -","- C28 H29 Cl5 N4 O2 Ru -","- C112 H116 Cl20 N16 O8 Ru4 -","4","1","","Wai-Lun Man; Jianhui Xie; Yi Pan; William W. Y. Lam; Hoi-Ki Kwong; Kwok-Wa Ip; Shek-Man Yiu; Kai-Chung Lau; Tai-Chu Lau","C-N Bond Cleavage of Anilines by a (Salen)ruthenium(VI) Nitrido Complex","Journal of the American Chemical Society","2013","135","","5533","5536","10.1021/ja401553d","","","1.54184","CUKα","","0.0613","0.06","","","0.1642","0.1654","","","","","","1.058","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119587","21.483","0.005","8.784","0.002","20.851","0.005","90","","103.935","0.003","90","","3818.9","1.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H70 Cl2 Co2 N2 O2 P2 -","- C32 H70 Cl2 Co2 N2 O2 P2 -","- C128 H280 Cl8 Co8 N8 O8 P8 -","4","0.5","","Jeffrey Camacho-Bunquin; Michael J. Ferguson; Jeffrey M. Stryker","Hydrocarbon-Soluble Nanocatalysts with No Bulk Phase: Coplanar, Two-Coordinate Arrays of the Base Metals","Journal of the American Chemical Society","2013","135","","5537","5540","10.1021/ja401579x","","","0.71073","MoKα","","0.036","0.0305","","","0.0782","0.082","","","","","","1.037","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119588","23.424","0.002","12.8863","0.0011","23.816","0.002","90","","114.244","0.001","90","","6554.8","1","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H124 Co3.34 N4 Na0.66 O2 P4 -","- C56 H124 Co3.342 N4 Na0.658 O2 P4 -","- C224 H496 Co13.368 N16 Na2.632 O8 P16 -","4","0.5","","Jeffrey Camacho-Bunquin; Michael J. Ferguson; Jeffrey M. Stryker","Hydrocarbon-Soluble Nanocatalysts with No Bulk Phase: Coplanar, Two-Coordinate Arrays of the Base Metals","Journal of the American Chemical Society","2013","135","","5537","5540","10.1021/ja401579x","","","0.71073","MoKα","","0.0835","0.054","","","0.131","0.1445","","","","","","1.048","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119589","23.4807","0.0017","12.8848","0.001","23.8905","0.0018","90","","114.193","0.001","90","","6593.1","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H124 N4 Ni4 O2 P4 -","- C56 H124 N4 Ni4 O2 P4 -","- C224 H496 N16 Ni16 O8 P16 -","4","0.5","","Jeffrey Camacho-Bunquin; Michael J. Ferguson; Jeffrey M. Stryker","Hydrocarbon-Soluble Nanocatalysts with No Bulk Phase: Coplanar, Two-Coordinate Arrays of the Base Metals","Journal of the American Chemical Society","2013","135","","5537","5540","10.1021/ja401579x","","","0.71073","MoKα","","0.0877","0.0657","","","0.1779","0.1906","","","","","","1.1","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119590","19.8548","0.0014","19.8548","0.0014","10.2313","0.0007","90","","90","","90","","4033.3","0.5","123","2","123","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C76 H104 Al F24 O4 P2 -","- C76 H104 Al F24 O4 P2 -","- C152 H208 Al2 F48 O8 P4 -","2","0.25","","Xiaobo Pan; Yuanting Su; Xiaoyu Chen; Yue Zhao; Yizhi Li; Jinglin Zuo; Xinping Wang","Stable Tetraaryldiphosphine Radical Cation and Dication","Journal of the American Chemical Society","2013","135","","5561","5564","10.1021/ja402492u","","","0.71073","MoKα","","0.0798","0.0578","","","0.153","0.1563","","","","","","1.058","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119591","19.0707","0.0012","23.7279","0.0015","12.445","0.0013","90","","90","","90","","5631.5","0.8","123","2","123","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C60 H92 P2 -","- C60 H92 P2 -","- C240 H368 P8 -","4","1","","Xiaobo Pan; Yuanting Su; Xiaoyu Chen; Yue Zhao; Yizhi Li; Jinglin Zuo; Xinping Wang","Stable Tetraaryldiphosphine Radical Cation and Dication","Journal of the American Chemical Society","2013","135","","5561","5564","10.1021/ja402492u","","","0.71073","MoKα","","0.062","0.0555","","","0.1181","0.1191","","","","","","1.07","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119592","22.3334","0.0016","29.1146","0.0012","18.8388","0.0013","90","","90","","90","","12249.5","1.3","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C92 H92 Al2 F72 O8 P2 -","- C92 H92 Al2 F72 O8 P2 -","- C368 H368 Al8 F288 O32 P8 -","4","1","","Xiaobo Pan; Yuanting Su; Xiaoyu Chen; Yue Zhao; Yizhi Li; Jinglin Zuo; Xinping Wang","Stable Tetraaryldiphosphine Radical Cation and Dication","Journal of the American Chemical Society","2013","135","","5561","5564","10.1021/ja402492u","","","0.71073","MoKα","","0.0636","0.0581","","","0.1575","0.1589","","","","","","1.093","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119593","9.3958","0.0003","17.6638","0.0006","26.0979","0.0008","90","","90","","90","","4331.4","0.2","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H60 N4 O4 S2 -","- C39 H60 N4 O4 S2 -","- C156 H240 N16 O16 S8 -","4","1","","Jonathan T. Reeves; Zhulin Tan; Melissa A. Herbage; Zhengxu S. Han; Maurice A. Marsini; Zhibin Li; Guisheng Li; Yibo Xu; Keith R. Fandrick; Nina C. Gonnella; Scot Campbell; Shengli Ma; Nelu Grinberg; Heewon Lee; Bruce Z. Lu; Chris H. Senanayake","Carbamoyl Anion Addition to N-Sulfinyl Imines: Highly Diastereoselective Synthesis of α-Amino Amides","Journal of the American Chemical Society","2013","135","","5565","5568","10.1021/ja402647m","","","1.54178","","","0.0471","0.045","","","","0.1446","","","","","","1.0609","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119594","26.5023","0.0006","9.8829","0.0002","15.6531","0.0004","90","","106.367","0.001","90","","3933.71","0.16","273","2","273","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H57 Br N3 O3 S -","- C36 H56 Br N3 O3 S -","- C144 H224 Br4 N12 O12 S4 -","4","1","","Jonathan T. Reeves; Zhulin Tan; Melissa A. Herbage; Zhengxu S. Han; Maurice A. Marsini; Zhibin Li; Guisheng Li; Yibo Xu; Keith R. Fandrick; Nina C. Gonnella; Scot Campbell; Shengli Ma; Nelu Grinberg; Heewon Lee; Bruce Z. Lu; Chris H. Senanayake","Carbamoyl Anion Addition to N-Sulfinyl Imines: Highly Diastereoselective Synthesis of α-Amino Amides","Journal of the American Chemical Society","2013","135","","5565","5568","10.1021/ja402647m","","","1.54178","CuKα","","0.0707","0.0691","","","0.2031","0.2053","","","","","","1.017","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119595","7.2916","0.0001","7.2916","0.0001","7.2916","0.0001","90","","90","","90","","387.676","0.009","","","100","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cu3 Fe4 O12 Y -","- Cu3 Fe4 O12 Y -","- Cu6 Fe8 O24 Y2 -","2","0.0833333","","Hidenobu Etani; Ikuya Yamada; Kenya Ohgushi; Naoaki Hayashi; Yoshihiro Kusano; Masaichiro Mizumaki; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Suppression of Intersite Charge Transfer in Charge-Disproportionated Perovskite YCu3Fe4O12","Journal of the American Chemical Society","2013","135","","6100","6106","10.1021/ja312015j","powder diffraction","","0.4994","","","0.0138","","","","","","0.01363","0.00815","0.836","","","","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119596","7.3077","0.0001","7.3077","0.0001","7.3077","0.0001","90","","90","","90","","390.249","0.009","","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 O12 Y -","- Cu3 Fe4 O12 Y -","- Cu6 Fe8 O24 Y2 -","2","0.0416667","","Hidenobu Etani; Ikuya Yamada; Kenya Ohgushi; Naoaki Hayashi; Yoshihiro Kusano; Masaichiro Mizumaki; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Suppression of Intersite Charge Transfer in Charge-Disproportionated Perovskite YCu3Fe4O12","Journal of the American Chemical Society","2013","135","","6100","6106","10.1021/ja312015j","powder diffraction","","0.4994","","","0.00944","","","","","","0.01097","0.00515","0.7635","","","","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119597","7.3227","0.0001","7.3227","0.0001","7.3227","0.0001","90","","90","","90","","392.657","0.009","450","","450","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 O12 Y -","- Cu3 Fe4 O12 Y -","- Cu6 Fe8 O24 Y2 -","2","0.0416667","","Hidenobu Etani; Ikuya Yamada; Kenya Ohgushi; Naoaki Hayashi; Yoshihiro Kusano; Masaichiro Mizumaki; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Suppression of Intersite Charge Transfer in Charge-Disproportionated Perovskite YCu3Fe4O12","Journal of the American Chemical Society","2013","135","","6100","6106","10.1021/ja312015j","powder diffraction","","0.4994","","","0.01525","","","","","","0.01521","0.01321","0.8803","","","","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119598","15.218","0.002","7.235","0.004","21.282","0.003","90","","95.068","0.004","90","","2334","1.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N4 O4 S2 -","- C22 H26 N4 O4 S2 -","- C88 H104 N16 O16 S8 -","4","1","","Hai-Feng Su; Lan Xue; Yun-Hua Li; Shui-Chao Lin; Yi-Mei Wen; Rong-Bin Huang; Su-Yuan Xie; Lan-Sun Zheng","Probing Hydrogen Bond Energies by Mass Spectrometry","Journal of the American Chemical Society","2013","135","","6122","6129","10.1021/ja312133k","","","0.71073","MoKα","","0.0643","0.0407","","","0.1217","0.1607","","","","","","1.126","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119599","16.295","0.002","7.814","0.004","20.274","0.003","90","","93.692","0.004","90","","2576.1","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N4 O4 S2 -","- C24 H30 N4 O4 S2 -","- C96 H120 N16 O16 S8 -","4","1","","Hai-Feng Su; Lan Xue; Yun-Hua Li; Shui-Chao Lin; Yi-Mei Wen; Rong-Bin Huang; Su-Yuan Xie; Lan-Sun Zheng","Probing Hydrogen Bond Energies by Mass Spectrometry","Journal of the American Chemical Society","2013","135","","6122","6129","10.1021/ja312133k","","","0.71073","MoKα","","0.0861","0.055","","","0.1387","0.1835","","","","","","0.972","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119600","29.028","0.006","7.6244","0.0015","25.456","0.005","90","","118.94","0.03","90","","4930","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 N4 O4 S2 -","- C23 H28 N4 O4 S2 -","- C184 H224 N32 O32 S16 -","8","1","","Hai-Feng Su; Lan Xue; Yun-Hua Li; Shui-Chao Lin; Yi-Mei Wen; Rong-Bin Huang; Su-Yuan Xie; Lan-Sun Zheng","Probing Hydrogen Bond Energies by Mass Spectrometry","Journal of the American Chemical Society","2013","135","","6122","6129","10.1021/ja312133k","","","0.71073","MoKα","","0.078","0.0483","","","0.1409","0.2082","","","","","","1.2","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119601","9.108","0.0018","10.201","0.002","11.29","0.002","100.34","0.03","105.73","0.03","111.7","0.03","891.1","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H24 N2 O4 S -","- C17 H24 N2 O4 S -","- C34 H48 N4 O8 S2 -","2","1","","Hai-Feng Su; Lan Xue; Yun-Hua Li; Shui-Chao Lin; Yi-Mei Wen; Rong-Bin Huang; Su-Yuan Xie; Lan-Sun Zheng","Probing Hydrogen Bond Energies by Mass Spectrometry","Journal of the American Chemical Society","2013","135","","6122","6129","10.1021/ja312133k","","","0.71073","MoKα","","0.0509","0.035","","","0.0878","0.1091","","","","","","1.126","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119602","13.418","0.005","6.623","0.002","13.418","0.005","90","","110.001","0.005","90","","1120.5","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N4 O4 S2 -","- C22 H26 N4 O4 S2 -","- C44 H52 N8 O8 S4 -","2","0.5","","Hai-Feng Su; Lan Xue; Yun-Hua Li; Shui-Chao Lin; Yi-Mei Wen; Rong-Bin Huang; Su-Yuan Xie; Lan-Sun Zheng","Probing Hydrogen Bond Energies by Mass Spectrometry","Journal of the American Chemical Society","2013","135","","6122","6129","10.1021/ja312133k","","","0.71073","MoKα","","0.0502","0.0478","","","0.128","0.1301","","","","","","1.063","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119603","4.749","0.003","14.967","0.009","19.134","0.011","90","","90.573","0.01","90","","1359.9","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O6 S -","- C11 H14 N2 O6 S -","- C44 H56 N8 O24 S4 -","4","1","","Hai-Feng Su; Lan Xue; Yun-Hua Li; Shui-Chao Lin; Yi-Mei Wen; Rong-Bin Huang; Su-Yuan Xie; Lan-Sun Zheng","Probing Hydrogen Bond Energies by Mass Spectrometry","Journal of the American Chemical Society","2013","135","","6122","6129","10.1021/ja312133k","","","0.71073","MoKα","","0.0691","0.0543","","","0.1293","0.1369","","","","","","1.002","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119604","12.234","0.002","9.017","0.004","13.423","0.003","90","","107.322","0.004","90","","1413.6","0.7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2.89 H3.56 N0.44 O0.67 S0.22 -","- C2.88889 H3.77778 N0.444444 O0.666667 S0.222222 -","- C52 H68 N8 O12 S4 -","18","4.5","","Hai-Feng Su; Lan Xue; Yun-Hua Li; Shui-Chao Lin; Yi-Mei Wen; Rong-Bin Huang; Su-Yuan Xie; Lan-Sun Zheng","Probing Hydrogen Bond Energies by Mass Spectrometry","Journal of the American Chemical Society","2013","135","","6122","6129","10.1021/ja312133k","","","0.71073","MoKα","","0.0799","0.0492","","","0.1338","0.2012","","","","","","1.37","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119605","20.358","0.004","25.828","0.005","8.0684","0.0016","90","","90","","90","","4242.4","1.4","148","2","148","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C72 H76 Cl4 Fe4 N32 O20 -","- C72 H64 Cl4 Fe4 N32 O20 -","- C144 H128 Cl8 Fe8 N64 O40 -","2","0.25","","Yi-Tong Wang; Shu-Tao Li; Shu-Qi Wu; Ai-Li Cui; De-Zhong Shen; Hui-Zhong Kou","Spin Transitions in Fe(II) Metallogrids Modulated by Substituents, Counteranions, and Solvents","Journal of the American Chemical Society","2013","135","","5942","5945","10.1021/ja312622c","","","0.71073","MoKα","","0.1152","0.0842","","","0.2127","0.235","","","","","","1.081","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119606","23.685","0.003","23.685","0.003","23.685","0.003","100.291","0.017","100.291","0.017","100.291","0.017","12555","3","153","2","153","2","","","","","","","","7","R -3 c :R","-P 3* 2n","167","","","","- C64 H62 Br8 Cl4 Fe4 N32 O9 -","- C64 H40 Br8 Cl4 Fe4 N32 O9 -","- C384 H240 Br48 Cl24 Fe24 N192 O54 -","6","0.5","","Yi-Tong Wang; Shu-Tao Li; Shu-Qi Wu; Ai-Li Cui; De-Zhong Shen; Hui-Zhong Kou","Spin Transitions in Fe(II) Metallogrids Modulated by Substituents, Counteranions, and Solvents","Journal of the American Chemical Society","2013","135","","5942","5945","10.1021/ja312622c","","","0.71073","MoKα","","0.1402","0.1332","","","0.2793","0.2849","","","","","","1.021","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119607","21.262","0.004","25.265","0.005","8.0593","0.0016","90","","90","","90","","4329.3","1.5","153","2","153","2","","","","","","","","8","P m m n :2","-P 2ab 2a","59","","","","- C64 H58 B4 Br8 F16 Fe4 N32 O7 -","- C64 H44 B4 Br8 F16 Fe4 N32 O6 -","- C128 H88 B8 Br16 F32 Fe8 N64 O12 -","2","0.25","","Yi-Tong Wang; Shu-Tao Li; Shu-Qi Wu; Ai-Li Cui; De-Zhong Shen; Hui-Zhong Kou","Spin Transitions in Fe(II) Metallogrids Modulated by Substituents, Counteranions, and Solvents","Journal of the American Chemical Society","2013","135","","5942","5945","10.1021/ja312622c","","","0.71073","MoKα","","0.0804","0.0729","","","0.1709","0.1757","","","","","","1.124","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119608","9.8377","0.0005","10.7472","0.0005","13.5696","0.0006","72.737","0.001","89.977","0.001","64.191","0.001","1219.47","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[Ni(7PPh2NPhOMe1)2](BF4)2","","","- C50 H56 B2 F8 N4 Ni O2 P4 -","- C50 H56 B2 F8 N4 Ni O2 P4 -","- C50 H56 B2 F8 N4 Ni O2 P4 -","1","0.5","","Michael P. Stewart; Ming-Hsun Ho; Stefan Wiese; Mary Lou Lindstrom; Colleen E. Thogerson; Simone Raugei; R. Morris Bullock; Monte L. Helm","High Catalytic Rates for Hydrogen Production Using Nickel Electrocatalysts with Seven-Membered Cyclic Diphosphine Ligands Containing One Pendant Amine","Journal of the American Chemical Society","2013","135","","6033","6046","10.1021/ja400181a","","","0.71073","MoKα","","0.0552","0.0404","","","0.1047","0.1116","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119609","9.527","0.0003","10.7718","0.0003","12.1475","0.0003","93.072","0.002","93.847","0.001","104.034","0.001","1203.53","0.06","173","2","173","2","","","","","","","","7","P -1","-P 1","2","[Ni(7PPh2NPhMe)2](BF4)2","","","- C50 H56 B2 F8 N4 Ni P4 -","- C50 H56 B2 F8 N4 Ni P4 -","- C50 H56 B2 F8 N4 Ni P4 -","1","0.5","","Michael P. Stewart; Ming-Hsun Ho; Stefan Wiese; Mary Lou Lindstrom; Colleen E. Thogerson; Simone Raugei; R. Morris Bullock; Monte L. Helm","High Catalytic Rates for Hydrogen Production Using Nickel Electrocatalysts with Seven-Membered Cyclic Diphosphine Ligands Containing One Pendant Amine","Journal of the American Chemical Society","2013","135","","6033","6046","10.1021/ja400181a","","","0.71073","MoKα","","0.0516","0.0377","","","0.0909","0.0979","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119610","10.0496","0.0006","10.1294","0.0006","12.2373","0.0007","91.34","0.001","98.661","0.001","103.359","0.001","1195.99","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[Ni(7PPh2NPhBr1)2](BF4)2","","","- C48 H50 B2 Br2 F8 N4 Ni P4 -","- C48 H50 B2 Br2 F8 N4 Ni P4 -","- C48 H50 B2 Br2 F8 N4 Ni P4 -","1","0.5","","Michael P. Stewart; Ming-Hsun Ho; Stefan Wiese; Mary Lou Lindstrom; Colleen E. Thogerson; Simone Raugei; R. Morris Bullock; Monte L. Helm","High Catalytic Rates for Hydrogen Production Using Nickel Electrocatalysts with Seven-Membered Cyclic Diphosphine Ligands Containing One Pendant Amine","Journal of the American Chemical Society","2013","135","","6033","6046","10.1021/ja400181a","","","0.71073","MoKα","","0.0466","0.0422","","","0.1177","0.1208","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119611","10.3125","0.0003","10.7683","0.0003","13.0776","0.0006","105.536","0.002","91.338","0.002","117.297","0.002","1225.11","0.08","173","2","173","2","","","","","","","","8","P -1","-P 1","2","[Ni(7PPh2NPhCl)2](BF4)2","","","- C48 H50 B2 Cl2 F8 N4 Ni P4 -","- C48 H50 B2 Cl2 F8 N4 Ni P4 -","- C48 H50 B2 Cl2 F8 N4 Ni P4 -","1","0.5","","Michael P. Stewart; Ming-Hsun Ho; Stefan Wiese; Mary Lou Lindstrom; Colleen E. Thogerson; Simone Raugei; R. Morris Bullock; Monte L. Helm","High Catalytic Rates for Hydrogen Production Using Nickel Electrocatalysts with Seven-Membered Cyclic Diphosphine Ligands Containing One Pendant Amine","Journal of the American Chemical Society","2013","135","","6033","6046","10.1021/ja400181a","","","0.71073","MoKα","","0.0618","0.0444","","","0.1221","0.1304","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119612","10.102","0.0007","12.1935","0.0009","19.6115","0.0014","90","","97.294","0.002","90","","2396.2","0.3","297","","297","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 B2 F14 N2 Ni P4 -","- C46 H44 B2 F14 N2 Ni P4 -","- C92 H88 B4 F28 N4 Ni2 P8 -","2","0.5","","Michael P. Stewart; Ming-Hsun Ho; Stefan Wiese; Mary Lou Lindstrom; Colleen E. Thogerson; Simone Raugei; R. Morris Bullock; Monte L. Helm","High Catalytic Rates for Hydrogen Production Using Nickel Electrocatalysts with Seven-Membered Cyclic Diphosphine Ligands Containing One Pendant Amine","Journal of the American Chemical Society","2013","135","","6033","6046","10.1021/ja400181a","","","0.71073","MoKα","","0.0624","0.0439","","","0.1158","0.13","","","","","","1.037","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119613","14.9673","0.0005","28.4151","0.0008","15.1131","0.0005","90","","94.181","0.003","90","","6410.5","0.4","180","2","180.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H104 F6 O6 P6 Pd2 S2 -","- C47 H104 F6 O6 P6 Pd2 S2 -","- C188 H416 F24 O24 P24 Pd8 S8 -","4","1","","Devendra J. Vyas; Evgeny Larionov; Céline Besnard; Laure Guénée; Clément Mazet","Isomerization of Terminal Epoxides by a [Pd-H] Catalyst: A Combined Experimental and Theoretical Mechanistic Study","Journal of the American Chemical Society","2013","135","","6177","6183","10.1021/ja400325w","","","1.54184","CuKα","","0.0926","0.0693","","","0.1845","0.206","","","","","","1.032","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119614","12.0528","0.0013","15.1077","0.0015","18.2869","0.0016","90","","94.605","0.005","90","","3319.1","0.6","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H42 Co N4 O4 -","- C37 H34 Co N4 O4 -","- C148 H136 Co4 N16 O16 -","4","0.5","","Yukiko Hayashi; Stefano Santoro; Yuki Azuma; Fahmi Himo; Takashi Ohshima; Kazushi Mashima","Enzyme-Like Catalysis via Ternary Complex Mechanism: Alkoxy-Bridged Dinuclear Cobalt Complex Mediates Chemoselective O-Esterification over N-Amidation","Journal of the American Chemical Society","2013","135","","6192","6199","10.1021/ja400367h","","","0.71075","MoKα","","","0.0425","","","","0.1116","","","","","","1.093","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119615","10.416","0.008","15.759","0.011","16.874","0.012","90","","94.919","0.006","90","","2760","3","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H68 Co2 N4 O6 -","- C60 H68 Co2 N4 O6 -","- C120 H136 Co4 N8 O12 -","2","0.5","","Yukiko Hayashi; Stefano Santoro; Yuki Azuma; Fahmi Himo; Takashi Ohshima; Kazushi Mashima","Enzyme-Like Catalysis via Ternary Complex Mechanism: Alkoxy-Bridged Dinuclear Cobalt Complex Mediates Chemoselective O-Esterification over N-Amidation","Journal of the American Chemical Society","2013","135","","6192","6199","10.1021/ja400367h","","","0.71075","MoKα","","","0.0937","","","","0.2485","","","","","","1.027","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119616","44.804","0.017","10.788","0.004","22.008","0.008","90","","110.26","0.004","90","","9979","6","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H62 Co3 N4 O11 -","- C45 H62 Co3 N4 O11 -","- C360 H496 Co24 N32 O88 -","8","1","","Yukiko Hayashi; Stefano Santoro; Yuki Azuma; Fahmi Himo; Takashi Ohshima; Kazushi Mashima","Enzyme-Like Catalysis via Ternary Complex Mechanism: Alkoxy-Bridged Dinuclear Cobalt Complex Mediates Chemoselective O-Esterification over N-Amidation","Journal of the American Chemical Society","2013","135","","6192","6199","10.1021/ja400367h","","","0.71075","MoKα","","","0.0652","","","","0.1712","","","","","","1.046","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119617","14.077","0.003","13.289","0.003","15.271","0.004","90","","97.303","0.009","90","","2833.6","1.2","113","","113","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H35 Co N2 Na O6 -","- C25 H35 Co N2 Na O6 -","- C100 H140 Co4 N8 Na4 O24 -","4","1","","Yukiko Hayashi; Stefano Santoro; Yuki Azuma; Fahmi Himo; Takashi Ohshima; Kazushi Mashima","Enzyme-Like Catalysis via Ternary Complex Mechanism: Alkoxy-Bridged Dinuclear Cobalt Complex Mediates Chemoselective O-Esterification over N-Amidation","Journal of the American Chemical Society","2013","135","","6192","6199","10.1021/ja400367h","","","0.71075","MoKα","","","0.0945","","","","0.2479","","","","","","1.138","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119618","12.3731","0.0003","12.3731","0.0003","9.802","0.0004","90","","90","","120","","1299.58","0.07","293","2","293","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C21 H27 F3 Si3 -","- C21 H27 F3 Si3 -","- C42 H54 F6 Si6 -","2","0.333333","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","","0.71073","MoKα","","0.0743","0.0471","","","0.113","0.1259","","","","","","1.039","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119619","4.5919","0.0003","9.1244","0.0006","17.0661","0.0012","89.153","0.004","87.442","0.003","76.337","0.004","694.11","0.08","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 F3 I3 -","- C12 F3 I3 -","- C24 F6 I6 -","2","1","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","x-ray","0.71073","MoKα","","0.0251","0.021","","","0.0403","0.0482","","","","","","1.124","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119620","14.0574","0.0011","7.207","0.0006","18.6836","0.0014","90","","90","","90","","1892.9","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H6 F3 I3 O S -","- C14 H6 F3 I3 O S -","- C56 H24 F12 I12 O4 S4 -","4","0.5","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","x-ray","0.71073","MoKα","","0.0273","0.0239","","","0.0633","0.0789","","","","","","1.213","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119621","10.0457","0.0002","21.6686","0.0005","12.9568","0.0003","90","","93.892","0.001","90","","2813.88","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cl3 F3 I4 S -","- C19 H16 Cl3 F3 I4 S -","- C76 H64 Cl12 F12 I16 S4 -","4","1","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","x-ray","0.71073","MoKα","","0.0423","0.0348","","","0.0912","0.1047","","","","","","1.104","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119622","10.9075","0.0005","12.2733","0.0005","21.5797","0.001","90","","95.915","0.002","90","","2873.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl3 F3 I4 N -","- C20 H19 Cl3 F3 I4 N -","- C80 H76 Cl12 F12 I16 N4 -","4","1","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","","0.71073","MoKα","","0.0674","0.0574","","","0.1397","0.1452","","","","","","1.16","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119623","9.8382","0.0001","19.203","0.0004","16.0481","0.0003","90","","98.677","0.001","90","","2997.15","0.09","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Br Cl3 F3 I3 N -","- C21 H21 Br Cl3 F3 I3 N -","- C84 H84 Br4 Cl12 F12 I12 N4 -","4","1","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","","0.71073","MoKα","","0.1026","0.0568","","","0.0975","0.1143","","","","","","1.077","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119624","11.5634","0.0002","14.162","0.0003","17.1705","0.0003","90","","97.554","0.001","90","","2787.45","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl3 F3 I4 N2 -","- C20 H16 Cl3 F3 I4 N2 -","- C80 H64 Cl12 F12 I16 N8 -","4","1","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","","0.71073","MoKα","","0.0671","0.0374","","","0.077","0.0954","","","","","","1.165","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119625","8.6022","0.0002","26.1613","0.0007","13.6072","0.0003","90","","90.273","0.001","90","","3062.19","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 F3 I4 S -","- C24 H27 F3 I4 S -","- C96 H108 F12 I16 S4 -","4","1","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","","0.71073","MoKα","","0.0334","0.0251","","","0.06","0.0758","","","","","","1.146","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119626","14.2433","0.0004","13.546","0.0004","17.5077","0.0004","90","","91.861","0.002","90","","3376.15","0.16","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H36 Br F3 I3 N -","- C28 H36 Br F3 I3 N -","- C112 H144 Br4 F12 I12 N4 -","4","1","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","","0.71073","MoKα","","0.0586","0.0402","","","0.0819","0.0899","","","","","","1.058","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119627","15.3532","0.0006","15.7529","0.0006","16.7017","0.0006","62.904","0.001","62.941","0.002","61.705","0.001","3015.6","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H30 Cl F3 I3 N P2 -","- C48 H30 Cl F3 I3 N P2 -","- C96 H60 Cl2 F6 I6 N2 P4 -","2","1","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","","0.71073","MoKα","","0.0365","0.0307","","","0.1006","0.103","","","","","","1.115","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119628","8.8834","0.0001","21.3386","0.0004","25.8119","0.0005","90","","95.66","0.001","90","","4869.03","0.14","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Br F6 I6 N -","- C40 H36 Br F6 I6 N -","- C160 H144 Br4 F24 I24 N4 -","4","0.5","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","","0.71073","MoKα","","0.1123","0.0491","","","0.0769","0.0944","","","","","","1.069","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119629","11.7331","0.0006","15.225","0.001","25.0661","0.0016","90","","97.115","0.002","90","","4443.2","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H15 Br F6 I6 S -","- C42 H15 Br F6 I6 S -","- C168 H60 Br4 F24 I24 S4 -","4","0.5","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","x-ray","0.71073","MoKα","","0.0279","0.0228","","","0.0508","0.0532","","","","","","1.084","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119630","22.573","0.005","22.573","0.005","22.573","0.005","90","0.005","90","0.005","90","0.005","11502","4","293","2","293","2","","","","","","","","4","I a -3","-I 2b 2c 3","206","","","","- C24 Br F6 I6 -","- C24 Br F6 I6 -","- C192 Br8 F48 I48 -","8","0.166667","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","","0.71073","MoKα","","0.1167","0.0773","","","0.1902","0.2193","","","","","","1.173","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119631","22.431","0.0015","22.431","0.0015","22.431","0.0015","90","","90","","90","","11286.2","1.3","150","2","150","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C60 H30 F12 I14 S2 -","- C60 H9.9 F12 I14 S1.98 -","- C240 H39.6 F48 I56 S7.92 -","4","0.166667","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","x-ray","0.71073","MoKα","","0.101","0.0644","","","0.2187","0.2397","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119632","9.932","0.004","18.818","0.008","20.335","0.009","88.731","0.01","83.542","0.009","86.247","0.008","3768","3","228","2","228","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H64 Cd3 Cu2 N8 O24 -","- C104 H64 Cd3.164 Cu1.836 N8 O24 -","- C104 H64 Cd3.164 Cu1.836 N8 O24 -","1","0.5","","Zhenjie Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Stepwise Transformation of the Molecular Building Blocks in a Porphyrin-Encapsulating Metal-Organic Material","Journal of the American Chemical Society","2013","135","","5982","5985","10.1021/ja4015666","","","1.54178","CuKα","","0.1151","0.0754","","","0.1723","0.1861","","","","","","0.841","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119633","9.915","0.008","18.65","0.014","20.341","0.016","88.702","0.015","84.514","0.015","85.703","0.013","3733","5","228","2","228","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H62 Cd4 Cu N8 O24 -","- C104 H62 Cd4 Cu0.978 N8 O24 -","- C104 H62 Cd4 Cu0.978 N8 O24 -","1","0.5","","Zhenjie Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Stepwise Transformation of the Molecular Building Blocks in a Porphyrin-Encapsulating Metal-Organic Material","Journal of the American Chemical Society","2013","135","","5982","5985","10.1021/ja4015666","","","1.54178","CuKα","","0.0865","0.0653","","","0.1485","0.1562","","","","","","0.924","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119634","10.658","0.0007","18.4613","0.0012","21.092","0.0014","89.068","0.002","88.119","0.001","85.215","0.002","4133","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C109.59 H64 Cu9 N8 O35.85 -","- C109.586 H64 Cu9 N8 O35.8532 -","- C109.586 H64 Cu9 N8 O35.8532 -","1","0.5","","Zhenjie Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Stepwise Transformation of the Molecular Building Blocks in a Porphyrin-Encapsulating Metal-Organic Material","Journal of the American Chemical Society","2013","135","","5982","5985","10.1021/ja4015666","","","0.41328","","","0.0802","0.0656","","","0.1769","0.185","","","","","","1.056","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119635","10.027","0.003","18.42","0.005","20.577","0.006","89.269","0.007","84.18","0.007","88.402","0.006","3779.3","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H66 Cd5 N8 O25 -","- C104 H64 Cd5 N8 O25 -","- C104 H64 Cd5 N8 O25 -","1","0.5","","Zhenjie Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Stepwise Transformation of the Molecular Building Blocks in a Porphyrin-Encapsulating Metal-Organic Material","Journal of the American Chemical Society","2013","135","","5982","5985","10.1021/ja4015666","","","1.54178","CuKα","","0.0598","0.0458","","","0.1077","0.1124","","","","","","0.904","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119636","16.077","0.017","12.478","0.013","28.12","0.03","90","","90","","90","","5641","10","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1","","","- C16 H32 Cl7 O4 W3 -","- C16 H32 Cl7 O4 W3 -","- C128 H256 Cl56 O32 W24 -","8","1","","Hayato Tsurugi; Hiromasa Tanahashi; Haruka Nishiyama; Waldemar Fegler; Teruhiko Saito; Andreas Sauer; Jun Okuda; Kazushi Mashima","Salt-Free Reducing Reagent of Bis(trimethylsilyl)cyclohexadiene Mediates Multielectron Reduction of Chloride Complexes of W(VI) and W(IV)","Journal of the American Chemical Society","2013","135","","5986","5989","10.1021/ja401589a","","","0.71075","MoKα","","0.1752","0.1289","","","0.3048","0.3467","","","","","","1.127","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119637","9.124","0.005","11.422","0.006","17.699","0.01","90","","92.899","0.006","90","","1842.1","1.7","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3","","","- C16 H14 Cl4 O2 W -","- C16 H14 Cl4 O2 W -","- C64 H56 Cl16 O8 W4 -","4","1","","Hayato Tsurugi; Hiromasa Tanahashi; Haruka Nishiyama; Waldemar Fegler; Teruhiko Saito; Andreas Sauer; Jun Okuda; Kazushi Mashima","Salt-Free Reducing Reagent of Bis(trimethylsilyl)cyclohexadiene Mediates Multielectron Reduction of Chloride Complexes of W(VI) and W(IV)","Journal of the American Chemical Society","2013","135","","5986","5989","10.1021/ja401589a","","","0.71075","MoKα","","0.045","0.0383","","","0.0884","0.0927","","","","","","1.155","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119638","12.7024","0.0017","21.299","0.003","10.4913","0.0015","90","","90","","90","","2838.4","0.7","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","4a","","","- C26 H36 Cl4 N2 W -","- C26 H36 Cl4 N2 W -","- C104 H144 Cl16 N8 W4 -","4","0.5","","Hayato Tsurugi; Hiromasa Tanahashi; Haruka Nishiyama; Waldemar Fegler; Teruhiko Saito; Andreas Sauer; Jun Okuda; Kazushi Mashima","Salt-Free Reducing Reagent of Bis(trimethylsilyl)cyclohexadiene Mediates Multielectron Reduction of Chloride Complexes of W(VI) and W(IV)","Journal of the American Chemical Society","2013","135","","5986","5989","10.1021/ja401589a","","","0.71075","MoKα","","0.1223","0.1107","","","0.3289","0.3509","","","","","","1.552","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119639","24.17","0.016","11.478","0.007","40.79","0.03","90","","106.598","0.008","90","","10845","13","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4b","","","- C36 H40 Cl4 N2 W -","- C36 H40 Cl4 N2 W -","- C432 H480 Cl48 N24 W12 -","12","3","","Hayato Tsurugi; Hiromasa Tanahashi; Haruka Nishiyama; Waldemar Fegler; Teruhiko Saito; Andreas Sauer; Jun Okuda; Kazushi Mashima","Salt-Free Reducing Reagent of Bis(trimethylsilyl)cyclohexadiene Mediates Multielectron Reduction of Chloride Complexes of W(VI) and W(IV)","Journal of the American Chemical Society","2013","135","","5986","5989","10.1021/ja401589a","","","0.71075","MoKα","","0.2597","0.1303","","","0.2998","0.3827","","","","","","1.025","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119640","8.8165","0.0008","25.7981","0.0018","18.9087","0.0019","90","","100.484","0.004","90","","4229","0.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","6","","","- C45 H57 Cl2 N2 O2 W -","- C45 H57 Cl2 N2 O2 W -","- C180 H228 Cl8 N8 O8 W4 -","4","1","","Hayato Tsurugi; Hiromasa Tanahashi; Haruka Nishiyama; Waldemar Fegler; Teruhiko Saito; Andreas Sauer; Jun Okuda; Kazushi Mashima","Salt-Free Reducing Reagent of Bis(trimethylsilyl)cyclohexadiene Mediates Multielectron Reduction of Chloride Complexes of W(VI) and W(IV)","Journal of the American Chemical Society","2013","135","","5986","5989","10.1021/ja401589a","","","0.71075","MoKα","","0.0855","0.054","","","0.1094","0.1338","","","","","","1.142","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119641","11.85","0.004","12.83","0.004","25.097","0.008","80.947","0.01","83.188","0.009","74.034","0.006","3611","2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","7","","","- C68 H93 Cl5 N5 W2 -","- C68 H93 Cl5 N5 W2 -","- C136 H186 Cl10 N10 W4 -","2","1","","Hayato Tsurugi; Hiromasa Tanahashi; Haruka Nishiyama; Waldemar Fegler; Teruhiko Saito; Andreas Sauer; Jun Okuda; Kazushi Mashima","Salt-Free Reducing Reagent of Bis(trimethylsilyl)cyclohexadiene Mediates Multielectron Reduction of Chloride Complexes of W(VI) and W(IV)","Journal of the American Chemical Society","2013","135","","5986","5989","10.1021/ja401589a","","","0.71075","MoKα","","0.0593","0.0465","","","0.1138","0.1239","","","","","","1.063","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119642","15.775","0.005","12.396","0.004","18.177","0.006","90","","110.59","0.004","90","","3327.4","1.9","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","8","","","- C28 H24 Cl8 N4 O2 W -","- C28 H24 Cl8 N4 O2 W -","- C112 H96 Cl32 N16 O8 W4 -","4","1","","Hayato Tsurugi; Hiromasa Tanahashi; Haruka Nishiyama; Waldemar Fegler; Teruhiko Saito; Andreas Sauer; Jun Okuda; Kazushi Mashima","Salt-Free Reducing Reagent of Bis(trimethylsilyl)cyclohexadiene Mediates Multielectron Reduction of Chloride Complexes of W(VI) and W(IV)","Journal of the American Chemical Society","2013","135","","5986","5989","10.1021/ja401589a","","","0.71075","MoKα","","0.0484","0.0397","","","0.0887","0.0941","","","","","","1.045","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119643","7.8831","0.0011","40.986","0.007","10.2201","0.0013","90","","110.769","0.014","90","","3087.5","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 B F3 N4 -","- C32 H44 B F3 N4 -","- C128 H176 B4 F12 N16 -","4","1","","Guillaume Berionni; Varvara Morozova; Maximilian Heininger; Peter Mayer; Paul Knochel; Herbert Mayr","Electrophilic Aromatic Substitutions of Aryltrifluoroborates with Retention of the BF3- Group: Quantification of the Activating and Directing Effects of the Trifluoroborate Group","Journal of the American Chemical Society","2013","135","","6317","6324","10.1021/ja4017655","","","0.71073","MoKα","","0.1019","0.066","","","0.1459","0.1687","","","","","","1.028","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119644","27.4163","0.0011","5.8388","0.0002","15.6465","0.0007","90","","90.313","0.003","90","","2504.63","0.17","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 B F3 N2 -","- C12 H16 B F3 N2 -","- C96 H128 B8 F24 N16 -","8","1","","Guillaume Berionni; Varvara Morozova; Maximilian Heininger; Peter Mayer; Paul Knochel; Herbert Mayr","Electrophilic Aromatic Substitutions of Aryltrifluoroborates with Retention of the BF3- Group: Quantification of the Activating and Directing Effects of the Trifluoroborate Group","Journal of the American Chemical Society","2013","135","","6317","6324","10.1021/ja4017655","","","0.71073","MoKα","","0.0836","0.0671","","","0.1745","0.1861","","","","","","1.079","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119645","6.3733","0.0003","19.8556","0.0009","20.1032","0.0011","99.402","0.003","95.627","0.002","92.278","0.003","2493.7","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 B F2 N3 O3 -","- C27 H28 B F2 N3 O3 -","- C108 H112 B4 F8 N12 O12 -","4","2","","Guillaume Berionni; Varvara Morozova; Maximilian Heininger; Peter Mayer; Paul Knochel; Herbert Mayr","Electrophilic Aromatic Substitutions of Aryltrifluoroborates with Retention of the BF3- Group: Quantification of the Activating and Directing Effects of the Trifluoroborate Group","Journal of the American Chemical Society","2013","135","","6317","6324","10.1021/ja4017655","","","0.71073","MoKα","","0.1439","0.0625","","","0.1334","0.1577","","","","","","1.009","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119646","6.5675","0.0002","17.084","0.0005","21.3686","0.0007","90","","90","","90","","2397.54","0.13","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 B F3 N2 -","- C12 H14 B F3 N2 -","- C96 H112 B8 F24 N16 -","8","1","","Guillaume Berionni; Varvara Morozova; Maximilian Heininger; Peter Mayer; Paul Knochel; Herbert Mayr","Electrophilic Aromatic Substitutions of Aryltrifluoroborates with Retention of the BF3- Group: Quantification of the Activating and Directing Effects of the Trifluoroborate Group","Journal of the American Chemical Society","2013","135","","6317","6324","10.1021/ja4017655","","","0.71073","MoKα","","0.0546","0.0416","","","0.1039","0.1125","","","","","","1.035","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119647","10.014","0.002","13.054","0.003","13.797","0.003","67.11","0.03","77.01","0.03","84.97","0.03","1619","0.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) _ 4 PF6_ 4 CH3CN","","","- C50 H62 F24 N14 O4 P4 -","- C50 H62 F24 N14 O4 P4 -","- C50 H62 F24 N14 O4 P4 -","1","0.5","","Han-Yuan Gong; Brett M. Rambo; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","""Texas-Sized"" Molecular Boxes: Building Blocks for the Construction of Anion-Induced Supramolecular Species via Self-Assembly","Journal of the American Chemical Society","2013","135","","6330","6337","10.1021/ja401893w","","","0.71073","MoKα","","0.1193","0.0645","","","0.1351","0.2221","","","","","","1.024","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119648","12.125","0.002","16.355","0.003","27.163","0.005","90","","90","","90","","5386.5","1.7","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,2-dimethylenebenzene) _ 2 PF6_ 2 H2PO4_ 9.5 H2O","","","- C38 H48 F12 N10 O17.5 P4 -","- C38 H38 F12 N10 O17.5 P4 -","- C152 H152 F48 N40 O70 P16 -","4","1","","Han-Yuan Gong; Brett M. Rambo; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","""Texas-Sized"" Molecular Boxes: Building Blocks for the Construction of Anion-Induced Supramolecular Species via Self-Assembly","Journal of the American Chemical Society","2013","135","","6330","6337","10.1021/ja401893w","","","0.71073","MoKα","","0.126","0.0959","","","0.2042","0.2243","","","","","","0.961","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119649","9.0278","0.0018","26.585","0.005","11.142","0.002","90","","99.36","0.03","90","","2638.5","0.9","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,2-dimethylenebenzene) _ 4 PF6_ 2 CH3CN","","","- C42 H40 F24 N12 P4 -","- C42 H40 F24 N12 P4 -","- C84 H80 F48 N24 P8 -","2","0.5","","Han-Yuan Gong; Brett M. Rambo; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","""Texas-Sized"" Molecular Boxes: Building Blocks for the Construction of Anion-Induced Supramolecular Species via Self-Assembly","Journal of the American Chemical Society","2013","135","","6330","6337","10.1021/ja401893w","","","0.71073","MoKα","","0.1602","0.0876","","","0.1738","0.215","","","","","","0.985","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119650","11.2107","0.0004","9.4444","0.0003","22.9291","0.0009","90","","95.703","0.002","90","","2415.68","0.15","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,3-dimethylenebenzene) _4PF6_CH3CN","","","- C40 H37 F24 N11 P4 -","- C38 H34 F24 N10 P4 -","- C76 H68 F48 N20 P8 -","2","0.5","","Han-Yuan Gong; Brett M. Rambo; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","""Texas-Sized"" Molecular Boxes: Building Blocks for the Construction of Anion-Induced Supramolecular Species via Self-Assembly","Journal of the American Chemical Society","2013","135","","6330","6337","10.1021/ja401893w","","","0.71073","MoKα","","0.1374","0.0658","","","0.1395","0.1554","","","","","","1.151","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119651","11.185","0.0002","9.368","0.0002","22.828","0.0005","90","","93.936","0.001","90","","2386.3","0.08","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](2,6-dimethylenepyridinyl) _ 4PF6_ CH3CN","","","- C38 H35 F24 N13 P4 -","- C36 H32 F24 N12 P4 -","- C72 H64 F48 N24 P8 -","2","0.5","","Han-Yuan Gong; Brett M. Rambo; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","""Texas-Sized"" Molecular Boxes: Building Blocks for the Construction of Anion-Induced Supramolecular Species via Self-Assembly","Journal of the American Chemical Society","2013","135","","6330","6337","10.1021/ja401893w","","","0.7107","MoKα","","0.1231","0.0586","","","0.1502","0.1694","","","","","","1.054","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119652","8.563","0.005","10.026","0.005","15.094","0.005","96.889","0.005","101.014","0.005","112.004","0.005","1152.9","1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](2,6-dimethylenepyridinyl) _ 4PF6","","","- C36 H32 F24 N12 P4 -","- C36 H32 F24 N12 P4 -","- C36 H32 F24 N12 P4 -","1","0.5","","Han-Yuan Gong; Brett M. Rambo; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","""Texas-Sized"" Molecular Boxes: Building Blocks for the Construction of Anion-Induced Supramolecular Species via Self-Assembly","Journal of the American Chemical Society","2013","135","","6330","6337","10.1021/ja401893w","","","0.71069","MoKα","","0.1705","0.084","","","0.1661","0.2079","","","","","","0.983","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119653","16.622","0.003","18.481","0.004","23.087","0.005","90","","107.8","0.03","90","","6753","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,3-dimethylenebenzene) _ 1.5 2,6naphthalene dicarboxylate_ OH_ 19 H2O","","","- C56 H83 N10 O26 -","- C56 H43 N10 O8 -","- C224 H172 N40 O32 -","4","1","","Han-Yuan Gong; Brett M. Rambo; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","""Texas-Sized"" Molecular Boxes: Building Blocks for the Construction of Anion-Induced Supramolecular Species via Self-Assembly","Journal of the American Chemical Society","2013","135","","6330","6337","10.1021/ja401893w","","","0.71073","MoKα","","0.1697","0.0983","","","0.2077","0.2266","","","","","","1.057","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119654","8.8588","0.0009","10.9908","0.001","12.615","0.0013","78.202","0.004","77.562","0.004","71.068","0.004","1122.44","0.19","153","2","153","2","","","","","","","","5","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,2-dimethylenebenzene) _ 4PF6","","","- C38 H34 F24 N10 P4 -","- C38 H34 F24 N10 P4 -","- C38 H34 F24 N10 P4 -","1","0.5","","Han-Yuan Gong; Brett M. Rambo; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","""Texas-Sized"" Molecular Boxes: Building Blocks for the Construction of Anion-Induced Supramolecular Species via Self-Assembly","Journal of the American Chemical Society","2013","135","","6330","6337","10.1021/ja401893w","","","0.71073","MoKα","","0.1326","0.0627","","","0.1286","0.1592","","","","","","1.003","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119655","14.084","0.003","14.242","0.003","19.099","0.004","93.1327","0.007","96.556","0.014","117.818","0.016","3340.6","1.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,2-dimethylenebenzene) _ 2 2,6naphthalene dicarboxylate_ 17 H2O","","","- C62 H80 N10 O25 -","- C62 H46 N10 O25 -","- C124 H92 N20 O50 -","2","1","","Han-Yuan Gong; Brett M. Rambo; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","""Texas-Sized"" Molecular Boxes: Building Blocks for the Construction of Anion-Induced Supramolecular Species via Self-Assembly","Journal of the American Chemical Society","2013","135","","6330","6337","10.1021/ja401893w","","","0.71073","MoKα","","0.2211","0.0927","","","0.1816","0.2711","","","","","","1.032","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119656","10.691","0.002","14.041","0.003","21.172","0.004","85.12","0.03","86.4","0.03","84.79","0.03","3148.7","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](2,6-dimethylenepyridinyl) _ 2 2,6naphthalene dicarboxylate_ 13.5 H2O","","","- C60 H71 N12 O21.5 -","- C60 H44 N12 O21.5 -","- C120 H88 N24 O43 -","2","1","","Han-Yuan Gong; Brett M. Rambo; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","""Texas-Sized"" Molecular Boxes: Building Blocks for the Construction of Anion-Induced Supramolecular Species via Self-Assembly","Journal of the American Chemical Society","2013","135","","6330","6337","10.1021/ja401893w","","","0.71073","MoKα","","0.1359","0.0902","","","0.185","0.2113","","","","","","1.01","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119657","33.056","0.004","4.6392","0.0006","10.2004","0.0014","90","","99.452","0.003","90","","1543","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N-(2-anthracenyl)-N'-(phenyl)-urea","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C84 H64 N8 O4 -","4","1","","Valeria Amendola; Greta Bergamaschi; Massimo Boiocchi; Luigi Fabbrizzi; Lorenzo Mosca","The Interaction of Fluoride with Fluorogenic Ureas: An ON1-OFF-ON2 Response","Journal of the American Chemical Society","2013","135","","6345","6355","10.1021/ja4019786","","","0.71073","MoKα","","0.0586","0.0436","","","0.0929","0.1016","","","","","","1.113","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119658","24.007","0.003","8.1804","0.0009","19.147","0.002","90","","108.695","0.002","90","","3561.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-anthracenyl)-N'-(phenyl)-urea tetrabutylammonium chloride hydrate","","- C37 H52.5 Cl N3 O1.25 -","- C37 H52 Cl N3 O1.25 -","- C148 H208 Cl4 N12 O5 -","4","1","","Valeria Amendola; Greta Bergamaschi; Massimo Boiocchi; Luigi Fabbrizzi; Lorenzo Mosca","The Interaction of Fluoride with Fluorogenic Ureas: An ON1-OFF-ON2 Response","Journal of the American Chemical Society","2013","135","","6345","6355","10.1021/ja4019786","","","0.71073","MoKα","","0.1834","0.0937","","","0.2371","0.298","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119659","8.8939","0.0008","19.0851","0.0017","44.15","0.004","90","","90","","90","","7494.1","1.2","293","2","293","2","","","","","","","","4","P b n 21","P 2c -2ab","33","","N-(1-pyrenyl)-N'-(phenyl)-urea tetrabutylammonium acetate","","- C41 H55 N3 O3 -","- C41 H55 N3 O3 -","- C328 H440 N24 O24 -","8","2","","Valeria Amendola; Greta Bergamaschi; Massimo Boiocchi; Luigi Fabbrizzi; Lorenzo Mosca","The Interaction of Fluoride with Fluorogenic Ureas: An ON1-OFF-ON2 Response","Journal of the American Chemical Society","2013","135","","6345","6355","10.1021/ja4019786","","","0.71073","MoKα","","0.1835","0.0754","","","0.1546","0.2128","","","","","","1.05","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119660","10.4186","0.0001","11.087","0.0001","13.087","0.0001","83.055","0.007","66.988","0.004","68.919","0.005","1297.93","0.06","113","2","113","2","","","","","","","synthesis as described","8","P -1","-P 1","2","[Ni(TP CF3Me)mCPBA]","[(3-Chloroperbenzoato){Hydrotris(5-methyl-3-(trifluoro) methylpyrazoryl)borato}nickel(II)]","","- C22 H17 B Cl F9 N6 Ni O3 -","- C22 H17 B Cl F9 N6 Ni O3 -","- C44 H34 B2 Cl2 F18 N12 Ni2 O6 -","2","1","","Jun Nakazawa; Shota Terada; Masaki Yamada; Shiro Hikichi","Structural Characterization and Oxidation Reactivity of a Nickel(II) Acylperoxo Complex","Journal of the American Chemical Society","2013","135","","6010","6013","10.1021/ja4020277","","","0.71073","MoKα","","0.0529","0.0469","","","0.1232","0.1271","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119661","8.698","0.005","13.345","0.007","17.896","0.01","90","","90","","90","","2077","2","113","2","113","2","","","","","","","synthesis as described","7","P c m n","-P 2n 2ac","62","[Ni(TPCF3,Me)Br]","[bromido{Hydrotris(5-methyl-3-(trifluoro)methyl- pyrazoryl)borato}nickel(II)]","","- C15 H13 B Br F9 N6 Ni -","- C15 H13 B Br F9 N6 Ni -","- C60 H52 B4 Br4 F36 N24 Ni4 -","4","0.5","","Jun Nakazawa; Shota Terada; Masaki Yamada; Shiro Hikichi","Structural Characterization and Oxidation Reactivity of a Nickel(II) Acylperoxo Complex","Journal of the American Chemical Society","2013","135","","6010","6013","10.1021/ja4020277","","","0.71073","MoKα","","0.0542","0.0506","","","0.1151","0.1194","","","","","","1.055","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119662","13.35","0.003","8.5172","0.0017","26.064","0.005","90","","94.212","0.003","90","","2955.6","1.1","113","2","113.15","","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","[Ni(TP CF3Me)mCBA] 0.5Toluene","[(3-Chlorobenzoato){Hydrotris(5-methyl-3-(trifluoro)methyl- pyrazoryl)borato}nickel(II)] 0.5 toluene","","- C25.5 H21 B Cl F9 N6 Ni O2 -","- C25.5 H17 B Cl F9 N6 Ni O2 -","- C102 H68 B4 Cl4 F36 N24 Ni4 O8 -","4","1","","Jun Nakazawa; Shota Terada; Masaki Yamada; Shiro Hikichi","Structural Characterization and Oxidation Reactivity of a Nickel(II) Acylperoxo Complex","Journal of the American Chemical Society","2013","135","","6010","6013","10.1021/ja4020277","","","0.71073","MoKα","","0.0712","0.0658","","","0.1584","0.1613","","","","","","1.188","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119663","13.6034","0.0008","15.6211","0.0009","26.2197","0.0015","90","","90.55","0.004","90","","5571.4","0.6","135","","135","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H85 Co N3 O P3 Zr -","- C58 H85 Co N3 O P3 Zr -","- C232 H340 Co4 N12 O4 P12 Zr4 -","4","1","","Seth L. Marquard; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Stoichiometric C=O Bond Oxidative Addition of Benzophenone by a Discrete Radical Intermediate To Form a Cobalt(I) Carbene","Journal of the American Chemical Society","2013","135","","6018","6021","10.1021/ja4022683","","","0.71073","MoKα","","0.0951","0.0468","","0.0927","0.0801","0.0927","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119664","43.887","0.004","13.0471","0.0012","20.6865","0.0016","90","","97.893","0.005","90","","11732.8","1.8","135","","135","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60.5 H91 Co N3 O P3 Zr -","- C60.5 H91 Co N3 O P3 Zr -","- C484 H728 Co8 N24 O8 P24 Zr8 -","8","1","","Seth L. Marquard; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Stoichiometric C=O Bond Oxidative Addition of Benzophenone by a Discrete Radical Intermediate To Form a Cobalt(I) Carbene","Journal of the American Chemical Society","2013","135","","6018","6021","10.1021/ja4022683","","","0.71073","MoKα","","0.1202","0.0563","","0.1176","0.0995","0.1176","","","","","","1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119665","18.58","0.0006","12.2431","0.0004","24.1829","0.0007","90","","94.811","0.001","90","","5481.7","0.3","120","","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H82 Co N5 O P3 Si Zr -","- C51 H82 Co N5 O P3 Si Zr -","- C204 H328 Co4 N20 O4 P12 Si4 Zr4 -","4","1","","Seth L. Marquard; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Stoichiometric C=O Bond Oxidative Addition of Benzophenone by a Discrete Radical Intermediate To Form a Cobalt(I) Carbene","Journal of the American Chemical Society","2013","135","","6018","6021","10.1021/ja4022683","","","0.71073","MoKα","","0.0396","0.0297","","0.0796","0.0686","0.0796","","","","","","1.0061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119666","10.8445","0.0002","17.5706","0.0003","18.7237","0.0003","110.727","0.001","100.205","0.001","92.786","0.007","3259.9","0.11","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H59 B Cl2 F20 N P Zr -","- C71 H59 B Cl2 F20 N P Zr -","- C142 H118 B2 Cl4 F40 N2 P2 Zr2 -","2","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.1017","0.0752","","","0.1524","0.1715","","","","","","1.066","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119667","10.6759","0.0002","15.4536","0.0003","19.3351","0.0005","84.321","0.001","82.779","0.002","83.515","0.002","3132.73","0.12","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H58 B F20 O P Zr -","- C70 H58 B F20 O P Zr -","- C140 H116 B2 F40 O2 P2 Zr2 -","2","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.1081","0.0878","","","0.2203","0.2423","","","","","","1.097","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119668","13.9073","0.0002","14.3933","0.0002","19.6665","0.0003","72.517","0.001","85.337","0.001","77.455","0.001","3664.64","0.1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C85 H70 B F20 O P Zr -","- C85 H70 B F20 O P Zr -","- C170 H140 B2 F40 O2 P2 Zr2 -","2","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.0642","0.0528","","","0.1118","0.1212","","","","","","1.06","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119669","13.8374","0.0004","14.5871","0.0005","21.9553","0.0008","86.185","0.001","88.823","0.001","77.638","0.002","4319.2","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C91 H74 B F20 O P Zr -","- C91 H74 B F20 O P Zr -","- C182 H148 B2 F40 O2 P2 Zr2 -","2","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.1082","0.0817","","","0.1793","0.1926","","","","","","1.095","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119670","13.0151","0.0002","14.7358","0.0002","19.3515","0.0003","72.626","0.001","73.566","0.001","82.426","0.001","3392.81","0.09","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H58 B Cl2 F20 O P Zr -","- C76 H58 B Cl2 F20 O P Zr -","- C152 H116 B2 Cl4 F40 O2 P2 Zr2 -","2","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.0665","0.0525","","","0.1064","0.1158","","","","","","1.054","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119671","10.8271","0.0002","17.5768","0.0003","18.7712","0.0003","110.892","0.001","100.261","0.001","92.846","0.001","3259.05","0.1","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H59 B Cl2 F20 N P Zr -","- C71 H59 B Cl2 F20 N P Zr -","- C142 H118 B2 Cl4 F40 N2 P2 Zr2 -","2","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.1031","0.0783","","","0.1771","0.1973","","","","","","1.111","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119672","14.2433","0.0001","32.573","0.0003","15.0069","0.0002","90","","103.477","0.001","90","","6770.69","0.12","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H67 B F20 N P Zr -","- C75 H67 B F20 N P Zr -","- C300 H268 B4 F80 N4 P4 Zr4 -","4","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.0596","0.0472","","","0.0995","0.1085","","","","","","1.089","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119673","10.7932","0.0003","18.4658","0.0005","19.7558","0.0006","105.168","0.001","99.567","0.001","92.603","0.002","3731.02","0.19","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C71 H59 B Cl2 F20 N O P Zr -","- C71 H59 B Cl2 F20 N O P Zr -","- C142 H118 B2 Cl4 F40 N2 O2 P2 Zr2 -","2","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.0948","0.077","","","0.1865","0.1976","","","","","","1.061","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119674","10.6552","0.0002","16.3512","0.0002","18.5198","0.0003","91.707","0.001","91.971","0.001","104.075","0.001","3125.47","0.09","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H48 B F20 O2 P Zr -","- C66 H48 B F20 O2 P Zr -","- C132 H96 B2 F40 O4 P2 Zr2 -","2","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.0526","0.0464","","","0.1181","0.1225","","","","","","1.046","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119675","40.5492","0.0006","14.9195","0.0002","24.7606","0.0004","90","","99.432","0.001","90","","14777","0.4","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C79 H69 B F20 N3 P Zr -","- C79 H69 B F20 N3 P Zr -","- C632 H552 B8 F160 N24 P8 Zr8 -","8","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.0604","0.0474","","","0.1157","0.1232","","","","","","1.078","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119676","10.8133","0.0002","14.3998","0.0002","15.2987","0.0004","77.974","0.001","86.094","0.001","83.647","0.001","2313.07","0.08","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H38.75 B Cl0.25 F20 O Zr -","- C48 H38.727 B Cl0.273 F20 O Zr -","- C96 H77.454 B2 Cl0.546 F40 O2 Zr2 -","2","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.0693","0.0559","","","0.1065","0.1159","","","","","","1.095","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119677","13.9278","0.0005","15.0219","0.0004","16.8483","0.0007","70.762","0.002","78.877","0.002","70.199","0.002","3118.3","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H51 B Cl3 F20 P Zr -","- C66 H51 B Cl3 F20 P Zr -","- C132 H102 B2 Cl6 F40 P2 Zr2 -","2","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.0465","0.0414","","","0.0974","0.1032","","","","","","1.066","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119678","10.0528","0.0001","10.0528","0.0001","28.2357","0.0004","90","","90","","90","","2853.47","0.06","100","2","100","2","","","","","","","","7","P 43","P 4cw","78","Manganese(II) N4Py triflate","","","- C25 H21 F6 Mn N5 O6 S2 -","- C25 H21 F6 Mn N5 O6 S2 -","- C100 H84 F24 Mn4 N20 O24 S8 -","4","1","","Junying Chen; Yong-Min Lee; Katherine M. Davis; Xiujuan Wu; Mi Sook Seo; Kyung-Bin Cho; Heejung Yoon; Young Jun Park; Shunichi Fukuzumi; Yulia N. Pushkar; Wonwoo Nam","A Mononuclear Non-Heme Manganese(IV)-Oxo Complex Binding Redox-Inactive Metal Ions","Journal of the American Chemical Society","2013","135","","6388","6391","10.1021/ja312113p","","","0.71073","MoKα","","0.0557","0.0514","","","0.1296","0.1328","","","","","","1.04","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119679","8.4884","0.0002","34.9745","0.0009","9.4939","0.0003","90","","102.233","0.0013","90","","2754.53","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F3 N O2 -","- C13 H16 F2.9985 N O2 -","- C104 H128 F23.988 N8 O16 -","8","2","","Roland Appel; Saloua Chelli; Takahiro Tokuyasu; Konstantin Troshin; Herbert Mayr","Electrophilicities of Benzaldehyde-Derived Iminium Ions: Quantification of the Electrophilic Activation of Aldehydes by Iminium Formation","Journal of the American Chemical Society","2013","135","","6579","6587","10.1021/ja401106x","","","0.71073","MoKα","","0.1138","0.0862","","","0.1896","0.2053","","","","","","1.044","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119680","13.9621","0.001","12.8717","0.0002","13.3016","0.0002","90","","90","","90","","2390.51","0.18","85","2","85","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H22 Cl2 N3 O0.5 Pd -","- C28 H22.01 Cl2 N3 O0.5 Pd -","- C112 H88.04 Cl8 N12 O2 Pd4 -","4","0.5","","Ansis Maleckis; Jeff W. Kampf; Melanie S. Sanford","A Detailed Study of Acetate-Assisted C-H Activation at Palladium(IV) Centers","Journal of the American Chemical Society","2013","135","","6618","6625","10.1021/ja401557m","","","1.54178","CuKα","","0.0221","0.0219","","","0.0548","0.0549","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119681","13.5583","0.0003","12.5698","0.0002","17.5426","0.0012","90","","103.335","0.007","90","","2909.1","0.2","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Br4 I N3 Pd -","- C28 H22 Br4 I N3 Pd -","- C112 H88 Br16 I4 N12 Pd4 -","4","1","","Ansis Maleckis; Jeff W. Kampf; Melanie S. Sanford","A Detailed Study of Acetate-Assisted C-H Activation at Palladium(IV) Centers","Journal of the American Chemical Society","2013","135","","6618","6625","10.1021/ja401557m","","","1.54178","CuKα","","0.0253","0.0251","","","0.0588","0.0589","","","","","","1.126","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119682","9.3934","0.0002","14.7202","0.0003","17.5207","0.0012","90","","101.232","0.007","90","","2376.23","0.19","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 I N3 Pd -","- C28 H22 I N3 Pd -","- C112 H88 I4 N12 Pd4 -","4","1","","Ansis Maleckis; Jeff W. Kampf; Melanie S. Sanford","A Detailed Study of Acetate-Assisted C-H Activation at Palladium(IV) Centers","Journal of the American Chemical Society","2013","135","","6618","6625","10.1021/ja401557m","","","1.54178","CuKα","","0.0329","0.032","","","0.0825","0.0832","","","","","","1.063","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119683","13.934","0.0003","12.6639","0.0002","15.8661","0.0011","90","","92.745","0.007","90","","2796.5","0.2","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Cl4 I N3 Pd -","- C28 H22 Cl4 I N3 Pd -","- C112 H88 Cl16 I4 N12 Pd4 -","4","1","","Ansis Maleckis; Jeff W. Kampf; Melanie S. Sanford","A Detailed Study of Acetate-Assisted C-H Activation at Palladium(IV) Centers","Journal of the American Chemical Society","2013","135","","6618","6625","10.1021/ja401557m","","","1.54178","CuKα","","0.0257","0.0253","","","0.0592","0.0603","","","","","","1.105","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119684","7.4169","0.0002","14.7477","0.0004","17.088","0.0004","90","","99.356","0.001","90","","1844.26","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MB-V-8","complex5","","- C21 H22 Cl F N Rh -","- C21 H22 Cl F N Rh -","- C84 H88 Cl4 F4 N4 Rh4 -","4","1","","Mikaël Brasse; Juan Cámpora; Jonathan A. Ellman; Robert G. Bergman","Mechanistic Study of the Oxidative Coupling of Styrene with 2-Phenylpyridine Derivatives Catalyzed by Cationic Rhodium(III) via C-H Activation","Journal of the American Chemical Society","2013","135","","6427","6430","10.1021/ja401561q","","","0.71073","MoKα","","0.0202","0.0183","","","0.0456","0.0556","","","","","","1.165","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4119685","8.509","0.008","10.249","0.01","14.352","0.014","82.064","0.013","80.277","0.013","83.692","0.011","1217","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","MB-V-48","complex6","","- C28 H35 F N O2 Rh -","- C28 H35 F N O2 Rh -","- C56 H70 F2 N2 O4 Rh2 -","2","1","","Mikaël Brasse; Juan Cámpora; Jonathan A. Ellman; Robert G. Bergman","Mechanistic Study of the Oxidative Coupling of Styrene with 2-Phenylpyridine Derivatives Catalyzed by Cationic Rhodium(III) via C-H Activation","Journal of the American Chemical Society","2013","135","","6427","6430","10.1021/ja401561q","","","0.71073","MoKα","","0.0816","0.0639","","","0.1409","0.1503","","","","","","1.059","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4119686","8.4208","0.0006","11.1142","0.0008","14.2048","0.001","92.386","0.003","97.506","0.003","98.759","0.003","1300.1","0.16","100","2","100","2","","","","","","","","7","P 1","P 1","1","MB-V-47","complex7","","- C25 H30 F7 N O Rh Sb -","- C25 H30 F7 N O Rh Sb -","- C50 H60 F14 N2 O2 Rh2 Sb2 -","2","2","","Mikaël Brasse; Juan Cámpora; Jonathan A. Ellman; Robert G. Bergman","Mechanistic Study of the Oxidative Coupling of Styrene with 2-Phenylpyridine Derivatives Catalyzed by Cationic Rhodium(III) via C-H Activation","Journal of the American Chemical Society","2013","135","","6427","6430","10.1021/ja401561q","","","0.71073","MoKα","","0.0328","0.03","","","0.0681","0.0766","","","","","","1.087","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4119687","8.6861","0.0012","10.7322","0.0014","13.5895","0.0018","86.896","0.006","85.075","0.006","79.653","0.006","1240.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","MB-V-49","complex9","","- C23 H25 F7 N2 Rh Sb -","- C23 H25 F7 N2 Rh Sb -","- C46 H50 F14 N4 Rh2 Sb2 -","2","1","","Mikaël Brasse; Juan Cámpora; Jonathan A. Ellman; Robert G. Bergman","Mechanistic Study of the Oxidative Coupling of Styrene with 2-Phenylpyridine Derivatives Catalyzed by Cationic Rhodium(III) via C-H Activation","Journal of the American Chemical Society","2013","135","","6427","6430","10.1021/ja401561q","","","0.71073","MoKα","","0.0452","0.0301","","","0.0609","0.0665","","","","","","1.037","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4119688","13.3629","0.0011","13.2614","0.0011","15.0885","0.0012","90","","104.043","0.004","90","","2593.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","MB-V-50","complex10","","- C24 H31 F7 N P Rh Sb -","- C24 H31 F7 N P Rh Sb -","- C96 H124 F28 N4 P4 Rh4 Sb4 -","4","1","","Mikaël Brasse; Juan Cámpora; Jonathan A. Ellman; Robert G. Bergman","Mechanistic Study of the Oxidative Coupling of Styrene with 2-Phenylpyridine Derivatives Catalyzed by Cationic Rhodium(III) via C-H Activation","Journal of the American Chemical Society","2013","135","","6427","6430","10.1021/ja401561q","","","1.54178","CuKα","","0.0559","0.0552","","","0.1243","0.1246","","","","","","1.336","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4119689","26.5937","0.0011","26.5937","0.0011","5.1462","0.0002","90","","90","","90","","3639.5","0.3","100","2","100","2","","","","","","","","5","I -4","I -4","82","MOF-150","","","- C18 H12 N2 O3 Zn -","- C18 H12 N2 O3 Zn -","- C144 H96 N16 O24 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.0443","0.0395","","","0.1089","0.1116","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119690","26.5112","0.0009","26.5112","0.0009","5.2351","0.0002","90","","90","","90","","3679.5","0.2","190","2","190","2","","","","","","","","5","I -4","I -4","82","MOF-150","","","- C18 H11 N2 O3 Zn -","- C18 H11 N2 O3 Zn -","- C144 H88 N16 O24 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.0496","0.0439","","","0.125","0.1296","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119691","26.4574","0.0009","26.4574","0.0009","5.2854","0.0002","90","","90","","90","","3699.7","0.2","280","2","280","2","","","","","","","","5","I -4","I -4","82","MOF-150","","","- C18 H11 N2 O3 Zn -","- C18 H11 N2 O3 Zn -","- C144 H88 N16 O24 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.051","0.0457","","","0.1332","0.1379","","","","","","1.042","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119692","26.4366","0.0009","26.4366","0.0009","5.3287","0.0002","90","","90","","90","","3724.2","0.2","370","2","370","2","","","","","","","","5","I -4","I -4","82","MOF-150","","","- C18 H11 N2 O3 Zn -","- C18 H11 N2 O3 Zn -","- C144 H88 N16 O24 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.0666","0.0589","","","0.1558","0.1609","","","","","","1.015","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119693","26.772","0.002","26.772","0.002","5.0662","0.0004","90","","90","","90","","3631.1","0.5","100","2","100","2","","","","","","","","5","I -4","I -4","82","MOF-150","","","- C19 H15 N2 O4 Zn -","- C19 H15 N2 O4 Zn -","- C152 H120 N16 O32 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.0357","0.0338","","","0.0891","0.0905","","","","","","1.055","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119694","26.713","0.004","26.713","0.004","5.0883","0.0008","90","","90","","90","","3630.9","1","100","2","100","2","","","","","","","","5","I -4","I -4","82","MOF-150 (ethanol)","","","- C20 H17 N2 O4 Zn -","- C20 H17 N2 O4 Zn -","- C160 H136 N16 O32 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.0551","0.0469","","","0.1129","0.1178","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119695","26.742","0.004","26.742","0.004","5.1504","0.0008","90","","90","","90","","3683.2","1","101","2","101","2","","","","","","","","5","I -4","I -4","82","MOF-150 (n-propanol)","","","- C21 H19 N2 O4 Zn -","- C21 H19 N2 O4 Zn -","- C168 H152 N16 O32 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.0393","0.0368","","","0.095","0.0968","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119696","26.1918","0.0019","26.1918","0.0019","5.396","0.0004","90","","90","","90","","3701.7","0.5","100","2","100","2","","","","","","","","5","I -4","I -4","82","MOF-150 (iso-propanol)","","","- C21 H19 N2 O4 Zn -","- C21 H19 N2 O4 Zn -","- C168 H152 N16 O32 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.0483","0.0453","","","0.1224","0.1238","","","","","","1.1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119697","5.7172","0.0012","10.941","0.002","15.717","0.003","90","","92.598","0.003","90","","982.1","0.3","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H22 O4 S -","- C24 H22 O4 S -","- C48 H44 O8 S2 -","2","1","","Scott E. Denmark; Alex Jaunet","Catalytic, Enantioselective, Intramolecular Carbosulfenylation of Olefins","Journal of the American Chemical Society","2013","135","","6419","6422","10.1021/ja401867b","","","0.71073","MoKα","","0.0434","0.0358","","","0.0798","0.0847","","","","","","1.049","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119698","16.4701","0.0008","26.2361","0.0011","20.4873","0.0008","90","","113.624","0.005","90","","8110.9","0.7","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C150 H128 Ag4 Au8 B6 Cl4 F24 N14 P8 -","- C150 H128 Ag4 Au8 B6 Cl4 F24 N14 P8 -","- C300 H256 Ag8 Au16 B12 Cl8 F48 N28 P16 -","2","0.5","","Xiao-Li Pei; Yang Yang; Zhen Lei; Quan-Ming Wang","Geminal Tetraauration of Acetonitrile: Hemilabile-Phosphine-Stabilized Au8Ag4 Cluster Compounds","Journal of the American Chemical Society","2013","135","","6435","6437","10.1021/ja402352c","","","0.71073","MoKα","","0.0899","0.0501","","","0.1074","0.1292","","","","","","1.063","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119699","15.7499","0.0005","17.0792","0.0004","31.1378","0.0011","90","","90.373","0.003","90","","8375.8","0.4","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C156 H145 Ag4 Au8 B6 F24 N14 O4 P8 -","- C156 H134 Ag4 Au8 B6 F24 N14 O4 P8 -","- C312 H268 Ag8 Au16 B12 F48 N28 O8 P16 -","2","0.5","","Xiao-Li Pei; Yang Yang; Zhen Lei; Quan-Ming Wang","Geminal Tetraauration of Acetonitrile: Hemilabile-Phosphine-Stabilized Au8Ag4 Cluster Compounds","Journal of the American Chemical Society","2013","135","","6435","6437","10.1021/ja402352c","","","0.71073","MoKα","","0.1328","0.0893","","","0.1495","0.17","","","","","","1.105","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119700","9.2597","0.0008","9.8798","0.0007","20.4814","0.0013","79.223","0.006","84.675","0.006","67.747","0.007","1703.1","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H55 Cl Fe N2 P4 Si -","- C27 H55 Cl Fe N2 P4 Si -","- C54 H110 Cl2 Fe2 N4 P8 Si2 -","2","1","","Burgert Blom; Stephan Enthaler; Shigeyoshi Inoue; Elisabeth Irran; Matthias Driess","Electron-Rich N-Heterocyclic Silylene (NHSi)-Iron Complexes: Synthesis, Structures, and Catalytic Ability of an Isolable Hydridosilylene-Iron Complex","Journal of the American Chemical Society","2013","135","","6703","6713","10.1021/ja402480v","","","0.71073","MoKα","","0.059","0.0438","","","0.0842","0.09","","","","","","1.045","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119701","36.85","0.005","9.3961","0.0005","23.976","0.003","90","","123.614","0.016","90","","6913.5","1.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H58 Fe N2 P4 Si -","- C28 H58 Fe N2 P4 Si -","- C224 H464 Fe8 N16 P32 Si8 -","8","1","","Burgert Blom; Stephan Enthaler; Shigeyoshi Inoue; Elisabeth Irran; Matthias Driess","Electron-Rich N-Heterocyclic Silylene (NHSi)-Iron Complexes: Synthesis, Structures, and Catalytic Ability of an Isolable Hydridosilylene-Iron Complex","Journal of the American Chemical Society","2013","135","","6703","6713","10.1021/ja402480v","","","0.71073","MoKα","","0.1278","0.1083","","","0.2252","0.2337","","","","","","1.181","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119702","24.019","0.0012","15.0889","0.0008","9.4039","0.0005","90","","90","","90","","3408.2","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H56 Fe N2 P4 Si -","- C27 H56 Fe N2 P4 Si -","- C108 H224 Fe4 N8 P16 Si4 -","4","1","","Burgert Blom; Stephan Enthaler; Shigeyoshi Inoue; Elisabeth Irran; Matthias Driess","Electron-Rich N-Heterocyclic Silylene (NHSi)-Iron Complexes: Synthesis, Structures, and Catalytic Ability of an Isolable Hydridosilylene-Iron Complex","Journal of the American Chemical Society","2013","135","","6703","6713","10.1021/ja402480v","","","0.71073","MoKα","","0.0793","0.0731","","","0.1699","0.1737","","","","","","1.141","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119703","9.3688","0.0002","15.7662","0.0004","19.2029","0.0006","90","","92.351","0.002","90","","2834.08","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 F6 -","- C38 H24 F6 -","- C152 H96 F24 -","4","1","","Sanyo M. Mathew; James T. Engle; Christopher J. Ziegler; C. Scott Hartley","The Role of Arene-Arene Interactions in the Folding of ortho-Phenylenes","Journal of the American Chemical Society","2013","135","","6714","6722","10.1021/ja4026006","","","1.54178","CuKα","","0.0499","0.0389","","","0.0928","0.0982","","","","","","1.021","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119704","8.894","0.004","16.142","0.008","18.242","0.009","90","","92.309","0.006","90","","2617","2","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 -","- C38 H30 -","- C152 H120 -","4","1","","Sanyo M. Mathew; James T. Engle; Christopher J. Ziegler; C. Scott Hartley","The Role of Arene-Arene Interactions in the Folding of ortho-Phenylenes","Journal of the American Chemical Society","2013","135","","6714","6722","10.1021/ja4026006","","","0.71073","MoKα","","0.0618","0.0464","","","0.1186","0.1303","","","","","","1.038","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119705","19.116","0.007","8.748","0.003","19.44","0.007","90","","115.425","0.004","90","","2936","1.8","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 N2 -","- C40 H36 N2 -","- C160 H144 N8 -","4","1","","Sanyo M. Mathew; James T. Engle; Christopher J. Ziegler; C. Scott Hartley","The Role of Arene-Arene Interactions in the Folding of ortho-Phenylenes","Journal of the American Chemical Society","2013","135","","6714","6722","10.1021/ja4026006","","","0.71073","MoKα","","0.0545","0.0429","","","0.1121","0.1231","","","","","","1.032","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119706","9.651","0.003","10.5","0.003","14.641","0.005","100.437","0.004","96.487","0.004","109.124","0.003","1354.7","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H24 N2 O4 -","- C36 H24 N2 O4 -","- C72 H48 N4 O8 -","2","1","","Sanyo M. Mathew; James T. Engle; Christopher J. Ziegler; C. Scott Hartley","The Role of Arene-Arene Interactions in the Folding of ortho-Phenylenes","Journal of the American Chemical Society","2013","135","","6714","6722","10.1021/ja4026006","","","0.71073","MoKα","","0.0464","0.0399","","","0.1073","0.1138","","","","","","1.012","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119707","10.4886","0.0002","14.3224","0.0003","21.3093","0.0005","90","","94.702","0.001","90","","3190.35","0.12","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Al F15 N2 O P -","- C30 H27 Al F15 N2 O P -","- C120 H108 Al4 F60 N8 O4 P4 -","4","1","","Gabriel Ménard; Jillian A. Hatnean; Hugh J. Cowley; Alan J. Lough; Jeremy M. Rawson; Douglas W. Stephan","C-H Bond Activation by Radical Ion Pairs Derived from R3P/Al(C6F5)3 Frustrated Lewis Pairs and N2O","Journal of the American Chemical Society","2013","135","","6446","6449","10.1021/ja402964h","","","0.71073","MoKα","","0.0733","0.0406","","","0.0861","0.0985","","","","","","1.005","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119708","11.6291","0.0004","16.9162","0.0005","17.4333","0.0005","85.883","0.002","81.665","0.002","75.891","0.002","3288.52","0.18","147","2","147","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H34 Al2 F30 O P -","- C63 H34 Al2 F30 O P -","- C126 H68 Al4 F60 O2 P2 -","2","1","","Gabriel Ménard; Jillian A. Hatnean; Hugh J. Cowley; Alan J. Lough; Jeremy M. Rawson; Douglas W. Stephan","C-H Bond Activation by Radical Ion Pairs Derived from R3P/Al(C6F5)3 Frustrated Lewis Pairs and N2O","Journal of the American Chemical Society","2013","135","","6446","6449","10.1021/ja402964h","","","1.54178","CuKα","","0.1196","0.0803","","","0.2209","0.2409","","","","","","1.059","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119709","13.8953","0.001","14.9435","0.001","35.121","0.003","90","","99.212","0.004","90","","7198.6","0.9","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C81 H33.5 Al2 Br F31.5 O P -","- C81 H33.5 Al2 Br F31.5 O P -","- C324 H134 Al8 Br4 F126 O4 P4 -","4","1","","Gabriel Ménard; Jillian A. Hatnean; Hugh J. Cowley; Alan J. Lough; Jeremy M. Rawson; Douglas W. Stephan","C-H Bond Activation by Radical Ion Pairs Derived from R3P/Al(C6F5)3 Frustrated Lewis Pairs and N2O","Journal of the American Chemical Society","2013","135","","6446","6449","10.1021/ja402964h","","","0.71073","MoKα","","0.2446","0.0864","","","0.219","0.2949","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119710","12.821","0.004","10.834","0.004","18.427","0.006","90","","110.303","0.005","90","","2400.5","1.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H24 O -","- C37 H24 O -","- C148 H96 O4 -","4","1","","Jarugu Narasimha Moorthy; Susovan Mandal; Arindam Mukhopadhyay; Subhas Samanta","Helicity as a Steric Force: Stabilization and Helicity-Dependent Reversion of Coloredo-Quinonoid Intermediates of Helical Chromenes","Journal of the American Chemical Society","2013","135","","6872","6884","10.1021/ja312027c","","","0.71073","MoKα","","0.0972","0.0631","","","0.1516","0.2001","","","","","","1.093","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119711","9.519","","9.886","","25.98","","90","","90","","90","","2444.84","","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H24 O -","- C37 H24 O -","- C148 H96 O4 -","4","1","","Jarugu Narasimha Moorthy; Susovan Mandal; Arindam Mukhopadhyay; Subhas Samanta","Helicity as a Steric Force: Stabilization and Helicity-Dependent Reversion of Coloredo-Quinonoid Intermediates of Helical Chromenes","Journal of the American Chemical Society","2013","135","","6872","6884","10.1021/ja312027c","","","0.71073","MoKα","","0.0976","0.0587","","","0.1095","0.1304","","","","","","0.994","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119712","11.9435","0.0014","8.7154","0.001","23.517","0.003","90","","93.732","0.002","90","","2442.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H25 N O -","- C36 H25 N O -","- C144 H100 N4 O4 -","4","1","","Jarugu Narasimha Moorthy; Susovan Mandal; Arindam Mukhopadhyay; Subhas Samanta","Helicity as a Steric Force: Stabilization and Helicity-Dependent Reversion of Coloredo-Quinonoid Intermediates of Helical Chromenes","Journal of the American Chemical Society","2013","135","","6872","6884","10.1021/ja312027c","","","0.71073","MoKα","","0.0858","0.0611","","","0.1625","0.185","","","","","","0.943","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119713","9.4408","0.0016","15.402","0.003","34.191","0.006","90","","90","","90","","4971.6","1.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H25 N O -","- C36 H25 N O -","- C288 H200 N8 O8 -","8","1","","Jarugu Narasimha Moorthy; Susovan Mandal; Arindam Mukhopadhyay; Subhas Samanta","Helicity as a Steric Force: Stabilization and Helicity-Dependent Reversion of Coloredo-Quinonoid Intermediates of Helical Chromenes","Journal of the American Chemical Society","2013","135","","6872","6884","10.1021/ja312027c","","","0.71073","MoKα","","0.0946","0.0564","","","0.1268","0.1506","","","","","","1.029","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119714","9.923","","18.34","","14.072","","90","","104.78","","90","","2476.2","","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H24 O -","- C37 H24 O -","- C148 H96 O4 -","4","1","","Jarugu Narasimha Moorthy; Susovan Mandal; Arindam Mukhopadhyay; Subhas Samanta","Helicity as a Steric Force: Stabilization and Helicity-Dependent Reversion of Coloredo-Quinonoid Intermediates of Helical Chromenes","Journal of the American Chemical Society","2013","135","","6872","6884","10.1021/ja312027c","","","0.71073","MoKα","","0.112","0.0749","","","0.1816","0.2433","","","","","","1.063","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119715","11.453","","12.028","","12.075","","109.53","","92.74","","107.56","","1474.06","","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H31 N O3 -","- C40 H31 N O3 -","- C80 H62 N2 O6 -","2","1","","Jarugu Narasimha Moorthy; Susovan Mandal; Arindam Mukhopadhyay; Subhas Samanta","Helicity as a Steric Force: Stabilization and Helicity-Dependent Reversion of Coloredo-Quinonoid Intermediates of Helical Chromenes","Journal of the American Chemical Society","2013","135","","6872","6884","10.1021/ja312027c","","","0.71073","MoKα","","0.1289","0.0789","","","0.1819","0.2592","","","","","","1.105","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119716","9.5395","0.0013","13.997","0.002","20.338","0.004","106.904","0.005","93.838","0.004","103.923","0.003","2494.4","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H25 N O -","- C36 H25 N O -","- C144 H100 N4 O4 -","4","2","","Jarugu Narasimha Moorthy; Susovan Mandal; Arindam Mukhopadhyay; Subhas Samanta","Helicity as a Steric Force: Stabilization and Helicity-Dependent Reversion of Coloredo-Quinonoid Intermediates of Helical Chromenes","Journal of the American Chemical Society","2013","135","","6872","6884","10.1021/ja312027c","","","0.71073","MoKα","","0.1079","0.061","","","0.1395","0.1708","","","","","","0.985","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119717","9.34219","0.00047","22.09822","0.00086","7.64543","0.00031","90","","95.5968","0.0032","90","","1570.84","0.12","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis-imidazolato barium","Bis-imidazolato barium","","- C6 H6 Ba N4 -","- C6 H6 Ba N4 -","- C48 H48 Ba8 N32 -","8","2","","Jens-Christoph Rybak; Michael Hailmann; Philipp R. Matthes; Alexander Zurawski; Jörn Nitsch; Andreas Steffen; Joachim G. Heck; Claus Feldmann; Stefan Götzendörfer; Jürgen Meinhardt; Gerhard Sextl; Holger Kohlmann; Stefan J. Sedlmaier; Wolfgang Schnick; Klaus Müller-Buschbaum","Metal-Organic Framework Luminescence in the Yellow Gap by Codoping of the Homoleptic Imidazolate\ιnfty3[Ba(Im)2] with Divalent Europium","Journal of the American Chemical Society","2013","135","","6896","6902","10.1021/ja3121718","powder diffraction","x-ray","1.54059","CuKα~1~","","","","","","","","0.0091","","1.12","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119718","10.0368","0.0018","11.521","0.003","11.8274","0.0019","92.243","0.013","112.631","0.014","113.778","0.012","1124.2","0.5","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H29 Cl2 Fe N5 O -","- C20 H29 Cl2 Fe N5 O -","- C40 H58 Cl4 Fe2 N10 O2 -","2","1","","Kazuki Umehara; Shigeki Kuwata; Takao Ikariya","N-N Bond Cleavage of Hydrazines with a Multiproton-Responsive Pincer-Type Iron Complex","Journal of the American Chemical Society","2013","135","","6754","6757","10.1021/ja3122944","","","0.71075","MoKα","","","0.0293","","","","0.0871","","","","","","1","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119719","10.697","0.002","12.004","0.003","17.782","0.004","88.464","0.01","77.257","0.008","65.722","0.007","2024.9","0.8","93","","93","","","","","","","","","8","P -1","-P 1","2","","","","- C29 H46 F6 Fe N6 O6 P2 S2 -","- C29 H46 F6 Fe N6 O6 P2 S2 -","- C58 H92 F12 Fe2 N12 O12 P4 S4 -","2","1","","Kazuki Umehara; Shigeki Kuwata; Takao Ikariya","N-N Bond Cleavage of Hydrazines with a Multiproton-Responsive Pincer-Type Iron Complex","Journal of the American Chemical Society","2013","135","","6754","6757","10.1021/ja3122944","","","0.71075","MoKα","","","0.0363","","","","0.1046","","","","","","1","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119720","10.502","0.002","11.823","0.002","18.286","0.004","81.424","0.008","76.624","0.006","81.593","0.007","2169.4","0.7","93","","93","","","","","","","","","8","P -1","-P 1","2","","","","- C33 H49 F6 Fe N7 O6 P2 S2 -","- C33 H49 F6 Fe N7 O6 P2 S2 -","- C66 H98 F12 Fe2 N14 O12 P4 S4 -","2","1","","Kazuki Umehara; Shigeki Kuwata; Takao Ikariya","N-N Bond Cleavage of Hydrazines with a Multiproton-Responsive Pincer-Type Iron Complex","Journal of the American Chemical Society","2013","135","","6754","6757","10.1021/ja3122944","","","0.71075","MoKα","","","0.0397","","","","0.1158","","","","","","1","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119721","9.084","0.0011","9.8173","0.0012","20.873","0.003","90","","90","","90","","1861.5","0.4","93","","93","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 F3 N2 O3 P S -","- C16 H20 F3 N2 O3 P S -","- C64 H80 F12 N8 O12 P4 S4 -","4","1","","Kazuki Umehara; Shigeki Kuwata; Takao Ikariya","N-N Bond Cleavage of Hydrazines with a Multiproton-Responsive Pincer-Type Iron Complex","Journal of the American Chemical Society","2013","135","","6754","6757","10.1021/ja3122944","","","0.71075","MoKα","","","0.0289","","","","0.0833","","","","","","1","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119722","9.8489","0.001","15.8869","0.0017","18.0605","0.0019","90","","103.458","0.002","90","","2748.3","0.5","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","jonme06","Tp'Rh(CNneopentyl)(CH2(C=O)CH3)Cl","","- C24 H38 B Cl N7 O Rh -","- C24 H38 B Cl N7 O Rh -","- C96 H152 B4 Cl4 N28 O4 Rh4 -","4","1","","Yunzhe Jiao; Meagan E. Evans; James Morris; William W. Brennessel; William D. Jones","Rhodium-Carbon Bond Energies in Tp'Rh(CNneopentyl)(CH2X)H: Quantifying Stabilization Effects in M-C Bonds","Journal of the American Chemical Society","2013","135","","6994","7004","10.1021/ja400966y","","","0.71073","MoKα","","0.1016","0.0517","","","0.1082","0.1277","","","","","","1.012","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119723","15.4424","0.0013","19.1316","0.0016","10.2475","0.0009","90","","93.747","0.002","90","","3021","0.4","100","0.5","100","0.5","","","","","","","","7","C 1 c 1","C -2yc","9","jonyj32","Tp'Rh(CNneopentyl)(CH2O-t-Bu)Cl","","- C26 H44 B Cl N7 O Rh -","- C26 H44 B Cl N7 O Rh -","- C104 H176 B4 Cl4 N28 O4 Rh4 -","4","1","","Yunzhe Jiao; Meagan E. Evans; James Morris; William W. Brennessel; William D. Jones","Rhodium-Carbon Bond Energies in Tp'Rh(CNneopentyl)(CH2X)H: Quantifying Stabilization Effects in M-C Bonds","Journal of the American Chemical Society","2013","135","","6994","7004","10.1021/ja400966y","","","0.71073","MoKα","","0.1114","0.0589","","","0.1083","0.1282","","","","","","1.006","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119724","18.951","0.01","9.858","0.004","28.893","0.008","90","","102.82","0.03","90","","5263","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H73 Co2 K2 N9 O7 -","- C39 H66 Co2 K2 N9 O7 -","- C156 H264 Co8 K8 N36 O28 -","4","0.5","","Silvia Gomez-Coca; Eduard Cremades; Núria Aliaga-Alcalde; Eliseo Ruiz","Mononuclear Single-Molecule Magnets: Tailoring the Magnetic Anisotropy of First-Row Transition-Metal Complexes","Journal of the American Chemical Society","2013","135","","7010","7018","10.1021/ja4015138","","","0.71073","MoKα","","0.0753","0.0554","","","0.1653","0.1763","","","","","","1.134","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119725","13.401","0.006","17.773","0.005","31.138","0.011","90","","90","","90","","7416","5","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Co N14 O6 P S -","- C15 H21 Co N14 O6 P S -","- C180 H252 Co12 N168 O72 P12 S12 -","12","3","","Silvia Gomez-Coca; Eduard Cremades; Núria Aliaga-Alcalde; Eliseo Ruiz","Mononuclear Single-Molecule Magnets: Tailoring the Magnetic Anisotropy of First-Row Transition-Metal Complexes","Journal of the American Chemical Society","2013","135","","7010","7018","10.1021/ja4015138","","","0.71073","MoKα","","0.0963","0.0447","","","0.0862","0.099","","","","","","0.821","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119726","16.5121","0.0005","28.0431","0.0009","16.4572","0.0005","90","","90","","90","","7620.5","0.4","153","2","153","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C27.5 H61.5 Ge4.5 Si3 -","- C27.56 H61.56 Ge4.5 Si3 -","- C220.48 H492.48 Ge36 Si24 -","8","0.5","","Yuki Ito; Vladimir Ya. Lee; Heinz Gornitzka; Catharina Goedecke; Gernot Frenking; Akira Sekiguchi","Spirobis(pentagerma[1.1.1]propellane): A Stable Tetraradicaloid","Journal of the American Chemical Society","2013","135","","6770","6773","10.1021/ja401650q","","","0.71073","MoKα","","0.0354","0.0241","","","0.0548","0.0628","","","","","","1.084","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4119727","13.1613","0.0005","28.7663","0.001","15.4602","0.0006","90","","92.252","0.001","90","","5848.7","0.4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H102 Ge4 Si5 -","- C44 H102 Ge4 Si5 -","- C176 H408 Ge16 Si20 -","4","1","","Yuki Ito; Vladimir Ya. Lee; Heinz Gornitzka; Catharina Goedecke; Gernot Frenking; Akira Sekiguchi","Spirobis(pentagerma[1.1.1]propellane): A Stable Tetraradicaloid","Journal of the American Chemical Society","2013","135","","6770","6773","10.1021/ja401650q","","","0.71073","MoKα","","0.037","0.0266","","","0.0633","0.0666","","","","","","1.031","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119728","10.2635","0.0003","5.088","0.0001","15.9439","0.0004","90","","97.188","0.001","90","","826.06","0.04","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O7 -","- C18 H20 O7 -","- C36 H40 O14 -","2","1","","Hengbin Wang; Gang Li; Keary M. Engle; Jin-Quan Yu; Huw M. L. Davies","Sequential C-H Functionalization Reactions for the Enantioselective Synthesis of Highly Functionalized 2,3-Dihydrobenzofurans","Journal of the American Chemical Society","2013","135","","6774","6777","10.1021/ja401731d","","","1.54184","CuKα","","0.0384","0.0383","","","0.095","0.0951","","","","","","1.112","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119729","8.2828","0.0008","8.5783","0.001","12.4406","0.0014","80.819","0.009","87.674","0.008","89.574","0.008","871.89","0.17","110","2","110","2","","","","","","","","3","P 1","P 1","1","","","","- C10 H16 O7 -","- C10 H16 O7 -","- C30 H48 O21 -","3","3","","Koichiro Mikami; Alexander T. Lonnecker; Tiffany P. Gustafson; Nathanael F. Zinnel; Pei-Jing Pai; David H. Russell; Karen L. Wooley","Polycarbonates Derived from Glucose via an Organocatalytic Approach","Journal of the American Chemical Society","2013","135","","6826","6829","10.1021/ja402319m","","","1.54178","CuKα","","0.0517","0.0423","","","0.1026","0.1075","","","","","","1.015","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119730","4.8197","0.0002","13.012","0.0004","12.4938","0.0004","90","","97.703","0.002","90","","776.46","0.05","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O6 -","- C16 H22 O6 -","- C32 H44 O12 -","2","1","","Koichiro Mikami; Alexander T. Lonnecker; Tiffany P. Gustafson; Nathanael F. Zinnel; Pei-Jing Pai; David H. Russell; Karen L. Wooley","Polycarbonates Derived from Glucose via an Organocatalytic Approach","Journal of the American Chemical Society","2013","135","","6826","6829","10.1021/ja402319m","","","0.71073","MoKα","","0.0332","0.0303","","","0.0797","0.0817","","","","","","1.056","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119731","9.4244","0.0002","9.4244","0.0002","22.8217","0.0005","90","","90","","120","","1755.44","0.07","110","2","110","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C9 H18 O6 -","- C9 H18 O6 -","- C54 H108 O36 -","6","1","","Koichiro Mikami; Alexander T. Lonnecker; Tiffany P. Gustafson; Nathanael F. Zinnel; Pei-Jing Pai; David H. Russell; Karen L. Wooley","Polycarbonates Derived from Glucose via an Organocatalytic Approach","Journal of the American Chemical Society","2013","135","","6826","6829","10.1021/ja402319m","","","0.71073","MoKα","","0.0313","0.0292","","","0.078","0.0798","","","","","","1.054","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4119732","10.0751","0.0012","10.7241","0.0013","16.6027","0.0019","90","","90","","90","","1793.9","0.4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O2 S -","- C20 H22 N2 O2 S -","- C80 H88 N8 O8 S4 -","4","1","","Jillian E. Spangler; Huw M. L. Davies","Catalytic Asymmetric Synthesis of Pyrroloindolines via a Rhodium(II)-Catalyzed Annulation of Indoles","Journal of the American Chemical Society","2013","135","","6802","6805","10.1021/ja4025337","","","0.71073","","","0.05156","0.048183","","","","0.124917","","","","","","1.05404","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119733","6.7093","0.0001","8.8356","0.0002","28.7168","0.0007","90","","90","","90","","1702.35","0.06","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O2 S -","- C19 H22 N2 O2 S -","- C76 H88 N8 O8 S4 -","4","1","","Jillian E. Spangler; Huw M. L. Davies","Catalytic Asymmetric Synthesis of Pyrroloindolines via a Rhodium(II)-Catalyzed Annulation of Indoles","Journal of the American Chemical Society","2013","135","","6802","6805","10.1021/ja4025337","","","0.71073","MoKα","","0.032","0.028","","","","0.029","0.041","","","","","1.553","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119734","20.52","0.004","14.543","0.003","18.761","0.005","90","","90","","90","","5599","2","93","2","93","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C59 H92 Cl2 O2 P2 Ru -","- C59 H92 Cl2 O2 P2 Ru -","- C236 H368 Cl8 O8 P8 Ru4 -","4","1","","César A. Urbina-Blanco; Albert Poater; Tomas Lebl; Simone Manzini; Alexandra M. Z. Slawin; Luigi Cavallo; Steven P. Nolan","The Activation Mechanism of Ru-Indenylidene Complexes in Olefin Metathesis","Journal of the American Chemical Society","2013","135","","7073","7079","10.1021/ja402700p","","","0.71073","MoKα","","0.1164","0.0623","","","0.103","0.121","","","","","","0.973","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119735","11.734","0.012","15.573","0.016","17.953","0.018","107.109","0.004","103.411","0.018","99.699","0.018","2949","5","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H55 Cl2 N2 O P Ru -","- C55 H51 Cl2 N2 O P Ru -","- C110 H102 Cl4 N4 O2 P2 Ru2 -","2","1","","César A. Urbina-Blanco; Albert Poater; Tomas Lebl; Simone Manzini; Alexandra M. Z. Slawin; Luigi Cavallo; Steven P. Nolan","The Activation Mechanism of Ru-Indenylidene Complexes in Olefin Metathesis","Journal of the American Chemical Society","2013","135","","7073","7079","10.1021/ja402700p","","","0.71073","MoKα","","0.1382","0.1303","","","0.3615","0.3755","","","","","","1.434","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119736","15.3916","0.0015","15.3916","0.0015","9.588","0.002","90","","90","","90","","2271.4","0.6","173","2","173","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C H N O Zn -","- C2.28571 N0.142857 O0.571429 Zn0.142857 -","- C64 N4 O16 Zn4 -","28","1.75","","Nicholas C. Burtch; Himanshu Jasuja; David Dubbeldam; Krista S. Walton","Molecular-level Insight into Unusual Low Pressure CO2 Affinity in Pillared Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","7172","7180","10.1021/ja310770c","","","0.71073","MoKα","","0.2166","0.147","","","0.5084","0.5507","","","","","","1.981","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119737","21.624","0.009","21.624","0.009","38.385","0.009","90","","90","","90","","17949","11","110","2","110","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C19 H28 N3 O6 Zn -","- C19 H28 N3 O6 Zn -","- C608 H896 N96 O192 Zn32 -","32","1","","Nicholas C. Burtch; Himanshu Jasuja; David Dubbeldam; Krista S. Walton","Molecular-level Insight into Unusual Low Pressure CO2 Affinity in Pillared Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","7172","7180","10.1021/ja310770c","","","0.71073","MoKα","","0.0625","0.0515","","","0.14","0.1503","","","","","","1.028","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119738","9.7504","0.0004","14.1505","0.0005","19.0874","0.0008","90","","103.51","0.001","90","","2560.67","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 B N4 O2 Zr -","- C25 H37 B N4 O2 Zr -","- C100 H148 B4 N16 O8 Zr4 -","4","1","","Kuntal Manna; William C. Everett; George Schoendorff; Arkady Ellern; Theresa L. Windus; Aaron D. Sadow","Highly Enantioselective Zirconium-Catalyzed Cyclization of Aminoalkenes","Journal of the American Chemical Society","2013","135","","7235","7250","10.1021/ja4000189","","","0.71073","MoKα","","0.0391","0.0297","","","0.0735","0.0781","","","","","","1.021","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119739","4.6597","0.0012","13.388","0.003","16.692","0.004","90","","100.364","0.006","90","","1024.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br N O -","- C12 H10 Br N O -","- C48 H40 Br4 N4 O4 -","4","1","","Hongyin Gao; Daniel H. Ess; Muhammed Yousufuddin; László Kürti","Transition-Metal-Free Direct Arylation: Synthesis of Halogenated 2-Amino-2'-hydroxy-1,1'-biaryls and Mechanism by DFT Calculations","Journal of the American Chemical Society","2013","135","","7086","7089","10.1021/ja400897u","","","0.71073","MoKα","","0.0468","0.0397","","","0.1019","0.1083","","","","","","1.067","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119740","13.047","0.003","9.0053","0.0017","13.195","0.003","90","","116.661","0.002","90","","1385.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br2 N O -","- C16 H11 Br2 N O -","- C64 H44 Br8 N4 O4 -","4","1","","Hongyin Gao; Daniel H. Ess; Muhammed Yousufuddin; László Kürti","Transition-Metal-Free Direct Arylation: Synthesis of Halogenated 2-Amino-2'-hydroxy-1,1'-biaryls and Mechanism by DFT Calculations","Journal of the American Chemical Society","2013","135","","7086","7089","10.1021/ja400897u","","","0.71073","MoKα","","0.0513","0.0358","","","0.0843","0.0914","","","","","","1.022","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119741","23.7483","0.0006","21.7534","0.0006","17.4494","0.0004","90","","90","","90","","9014.5","0.4","130","2","130","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C38 H53 B Cl4 Co Mo N7 O4 S -","- C38 H49 B Cl2 Co Mo N6 O4 S -","- C304 H392 B8 Cl16 Co8 Mo8 N48 O32 S8 -","8","1","","Victor W. L. Ng; Jonathan M. White; Charles G. Young","Structural Characterization and Unusual Reactivity of Oxosulfido-Mo(V) Compounds: Implications for the Structure and Electronic Description of the Very Rapid Form of Xanthine Oxidase","Journal of the American Chemical Society","2013","135","","7106","7109","10.1021/ja4022057","","","1.5418","CuKα","","0.1371","0.0603","","","0.1092","0.1273","","","","","","0.808","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119742","10.568","0.0003","13.8554","0.0005","28.2658","0.0011","90","","94.132","0.003","90","","4128","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Cp2Co[Tp(iPr)MoO(O,SC(=O)C6H3)]","","","- C39 H48 B Co Mo N8 O3 S -","- C39 H48 B Co Mo N8 O3 S -","- C156 H192 B4 Co4 Mo4 N32 O12 S4 -","4","1","","Victor W. L. Ng; Jonathan M. White; Charles G. Young","Structural Characterization and Unusual Reactivity of Oxosulfido-Mo(V) Compounds: Implications for the Structure and Electronic Description of the Very Rapid Form of Xanthine Oxidase","Journal of the American Chemical Society","2013","135","","7106","7109","10.1021/ja4022057","","","1.54184","CuKα","","0.1421","0.0482","","","0.0844","0.1047","","","","","","0.636","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119743","12.1391","0.0004","12.4748","0.0004","12.3922","0.0004","90","","105.917","0.0014","90","","1804.64","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 N2 Zn -","- C40 H62 N2 Zn -","- C80 H124 N4 Zn2 -","2","0.5","","Amit Pratap Singh; Prinson P. Samuel; Herbert W. Roesky; Martin C. Schwarzer; Gernot Frenking; Navdeep S. Sidhu; Birger Dittrich","A Singlet Biradicaloid Zinc Compound and Its Nonradical Counterpart","Journal of the American Chemical Society","2013","135","","7324","7329","10.1021/ja402351x","","","1.54178","CuKα","","0.0367","0.0325","","","0.0873","0.0903","","","","","","1.084","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119744","10.5601","0.0004","10.5959","0.0003","11.8554","0.0004","74.2707","0.0016","70.157","0.0014","75.7753","0.0017","1183.62","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H80 N2 Zn -","- C54 H80 N2 Zn -","- C54 H80 N2 Zn -","1","0.5","","Amit Pratap Singh; Prinson P. Samuel; Herbert W. Roesky; Martin C. Schwarzer; Gernot Frenking; Navdeep S. Sidhu; Birger Dittrich","A Singlet Biradicaloid Zinc Compound and Its Nonradical Counterpart","Journal of the American Chemical Society","2013","135","","7324","7329","10.1021/ja402351x","","","1.54178","CuKα","","0.0375","0.0371","","","0.0907","0.0911","","","","","","1.149","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119745","7.5781","0.0015","14.983","0.003","16.983","0.003","90","","95.87","0.03","90","","1918.2","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cyclic alkylaminocarbene coordinated with CO2","","","- C21 H31 N O2 -","- C21 H31 N O2 -","- C84 H124 N4 O8 -","4","1","","Amit Pratap Singh; Prinson P. Samuel; Herbert W. Roesky; Martin C. Schwarzer; Gernot Frenking; Navdeep S. Sidhu; Birger Dittrich","A Singlet Biradicaloid Zinc Compound and Its Nonradical Counterpart","Journal of the American Chemical Society","2013","135","","7324","7329","10.1021/ja402351x","","","1.54178","CuKα","","0.0542","0.0375","","","0.0899","0.0989","","","","","","1.018","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119746","16.8955","0.001","7.4323","0.0004","21.7513","0.0013","90","","90","","90","","2731.4","0.3","143","2","143","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","2","","Yvonne Schmidt; Jonathan K. Lam; Hung V. Pham; K. N. Houk; Christopher D. Vanderwal","Studies on the Himbert Intramolecular Arene/Allene Diels-Alder Cycloaddition. Mechanistic Studies and Expansion of Scope to All-Carbon Tethers","Journal of the American Chemical Society","2013","135","","7339","7348","10.1021/ja4025963","","","0.71073","MoKα","","0.0356","0.0336","","","0.0894","0.0912","","","","","","1.043","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119747","8.7211","0.0006","9.0859","0.0006","9.9538","0.0007","68.458","0.0007","64.6209","0.0007","82.3832","0.0007","662.54","0.08","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 Cl2 O -","- C15 H14 Cl2 O -","- C30 H28 Cl4 O2 -","2","1","","Yvonne Schmidt; Jonathan K. Lam; Hung V. Pham; K. N. Houk; Christopher D. Vanderwal","Studies on the Himbert Intramolecular Arene/Allene Diels-Alder Cycloaddition. Mechanistic Studies and Expansion of Scope to All-Carbon Tethers","Journal of the American Chemical Society","2013","135","","7339","7348","10.1021/ja4025963","","","0.71073","MoKα","","0.0285","0.0266","","","0.0703","0.072","","","","","","1.039","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119748","12.5373","0.0007","13.0195","0.0007","16.9104","0.001","90","","90","","90","","2760.3","0.3","143","2","143","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Yvonne Schmidt; Jonathan K. Lam; Hung V. Pham; K. N. Houk; Christopher D. Vanderwal","Studies on the Himbert Intramolecular Arene/Allene Diels-Alder Cycloaddition. Mechanistic Studies and Expansion of Scope to All-Carbon Tethers","Journal of the American Chemical Society","2013","135","","7339","7348","10.1021/ja4025963","","","0.71073","MoKα","","0.0441","0.0392","","","0.1054","0.1096","","","","","","1.046","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119749","11.6626","0.0005","7.6036","0.0004","16.2246","0.0008","90","","103.564","0.001","90","","1398.63","0.12","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H38 N2 O2 -","- C32 H38 N2 O2 -","- C64 H76 N4 O4 -","2","1","","Kan'ichiro Ishiuchi; Takehito Nakazawa; Fumitoshi Yagishita; Takashi Mino; Hiroshi Noguchi; Kinya Hotta; Kenji Watanabe","Combinatorial Generation of Complexity by Redox Enzymes in the Chaetoglobosin A Biosynthesis","Journal of the American Chemical Society","2013","135","","7371","7377","10.1021/ja402828w","","","1.54178","CuKα","","0.0489","0.0485","","","0.1458","0.1468","","","","","","1.047","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119750","9.8022","0.0002","10.0734","0.0003","28.5375","0.0007","90","","90","","90","","2817.84","0.12","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N2 O3 -","- C32 H38 N2 O3 -","- C128 H152 N8 O12 -","4","1","","Kan'ichiro Ishiuchi; Takehito Nakazawa; Fumitoshi Yagishita; Takashi Mino; Hiroshi Noguchi; Kinya Hotta; Kenji Watanabe","Combinatorial Generation of Complexity by Redox Enzymes in the Chaetoglobosin A Biosynthesis","Journal of the American Chemical Society","2013","135","","7371","7377","10.1021/ja402828w","","","1.54178","CuKα","","0.0373","0.0346","","","0.097","0.099","","","","","","1.03","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119751","10.0579","0.0004","9.6933","0.0004","14.7647","0.0006","90","","99.143","0.002","90","","1421.18","0.1","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C64 H76 N4 O10 -","2","1","","Kan'ichiro Ishiuchi; Takehito Nakazawa; Fumitoshi Yagishita; Takashi Mino; Hiroshi Noguchi; Kinya Hotta; Kenji Watanabe","Combinatorial Generation of Complexity by Redox Enzymes in the Chaetoglobosin A Biosynthesis","Journal of the American Chemical Society","2013","135","","7371","7377","10.1021/ja402828w","","","1.54178","CuKα","","0.0618","0.0414","","","0.1122","0.1347","","","","","","1.141","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119752","13.8992","0.001","7.5593","0.0007","14.1873","0.0011","90","","105.376","0.006","90","","1437.3","0.2","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H40 N2 O5 -","- C32 H40 N2 O5 -","- C64 H80 N4 O10 -","2","1","","Kan'ichiro Ishiuchi; Takehito Nakazawa; Fumitoshi Yagishita; Takashi Mino; Hiroshi Noguchi; Kinya Hotta; Kenji Watanabe","Combinatorial Generation of Complexity by Redox Enzymes in the Chaetoglobosin A Biosynthesis","Journal of the American Chemical Society","2013","135","","7371","7377","10.1021/ja402828w","","","1.54178","CuKα","","0.0812","0.0533","","","0.1396","0.1649","","","","","","1.06","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119753","13.691","0.0009","7.6431","0.0005","14.2391","0.0011","90","","106.329","0.005","90","","1429.9","0.18","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H36 N2 O5 -","- C32 H36 N2 O5 -","- C64 H72 N4 O10 -","2","1","","Kan'ichiro Ishiuchi; Takehito Nakazawa; Fumitoshi Yagishita; Takashi Mino; Hiroshi Noguchi; Kinya Hotta; Kenji Watanabe","Combinatorial Generation of Complexity by Redox Enzymes in the Chaetoglobosin A Biosynthesis","Journal of the American Chemical Society","2013","135","","7371","7377","10.1021/ja402828w","","","1.54178","CuKα","","0.1101","0.0674","","","0.1628","0.1824","","","","","","0.981","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119754","12.139","0.003","12.768","0.003","21.324","0.006","84.987","0.007","89.233","0.007","80.471","0.006","3247","1.4","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H50 B N2 O P2 Rh -","- C32 H50 B N2 O P2 Rh -","- C128 H200 B4 N8 O4 P8 Rh4 -","4","2","","Yusuke Masuda; Maki Hasegawa; Makoto Yamashita; Kyoko Nozaki; Naoki Ishida; Masahiro Murakami","Oxidative Addition of a Strained C-C Bond onto Electron-Rich Rhodium(I) at Room Temperature","Journal of the American Chemical Society","2013","135","","7142","7145","10.1021/ja403461f","","","0.71075","MoKα","","0.0403","0.0333","","","0.0931","0.1086","","","","","","1.117","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119755","22.3054","0.0013","22.3054","0.0013","6.6297","0.0005","90","","90","","120","","2856.6","0.3","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H114 N18 O72 U6 -","- C60 H114 N18 O72 U6 -","- C60 H114 N18 O72 U6 -","1","0.166667","","Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes","Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined ""Ice Channels""","Journal of the American Chemical Society","2013","135","","7398","7401","10.1021/ja400303f","","","0.71073","MoKα","","0.0213","0.0198","","","0.0562","0.0569","","","","","","1.109","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119756","22.4622","0.0009","22.4622","0.0009","6.592","0.0004","90","","90","","120","","2880.4","0.2","210","2","210","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H102 N18 O72 U6 -","- C60 H102 N18 O72 U6 -","- C60 H102 N18 O72 U6 -","1","0.166667","","Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes","Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined ""Ice Channels""","Journal of the American Chemical Society","2013","135","","7398","7401","10.1021/ja400303f","","","0.71073","MoKα","","0.0283","0.0232","","","0.0621","0.0643","","","","","","1.075","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119757","22.6821","0.001","22.6821","0.001","6.5371","0.0004","90","","90","","120","","2912.6","0.3","210","2","210","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H102 N18 O60 U6 -","- C60 H102 N18 O60 U6 -","- C60 H102 N18 O60 U6 -","1","0.166667","","Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes","Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined ""Ice Channels""","Journal of the American Chemical Society","2013","135","","7398","7401","10.1021/ja400303f","","","0.71073","MoKα","","0.0184","0.0161","","","0.0459","0.0468","","","","","","1.095","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119758","22.6972","0.0007","22.6972","0.0007","6.5275","0.0002","90","","90","","120","","2912.21","0.16","210","2","210","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H102 N18 O60 U6 -","- C60 H102 N18 O60 U6 -","- C60 H102 N18 O60 U6 -","1","0.166667","","Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes","Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined ""Ice Channels""","Journal of the American Chemical Society","2013","135","","7398","7401","10.1021/ja400303f","","","0.71073","MoKα","","0.0215","0.0172","","","0.0448","0.0463","","","","","","1.086","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119759","22.5338","0.001","22.5338","0.001","6.5999","0.0004","90","","90","","120","","2902.3","0.3","210","2","210","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H102 N18 O72 U6 -","- C60 H102 N18 O72 U6 -","- C60 H102 N18 O72 U6 -","1","0.166667","","Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes","Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined ""Ice Channels""","Journal of the American Chemical Society","2013","135","","7398","7401","10.1021/ja400303f","","","0.71073","MoKα","","0.0201","0.0183","","","0.054","0.0547","","","","","","1.091","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119760","22.6097","0.0011","22.6097","0.0011","6.5888","0.0004","90","","90","","120","","2916.9","0.3","293","2","210","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H102 N18 O72 U6 -","- C60 H102 N18 O72 U6 -","- C60 H102 N18 O72 U6 -","1","0.166667","","Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes","Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined ""Ice Channels""","Journal of the American Chemical Society","2013","135","","7398","7401","10.1021/ja400303f","","","0.71073","MoKα","","0.0248","0.0196","","","0.0538","0.0559","","","","","","1.089","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119761","15.1437","0.0008","10.5693","0.0005","10.0807","0.0006","90","","90","","90","","1613.5","0.15","500","","500","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.1005","0.0492","","0.1034","0.074","0.1034","","","","","","0.9706","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119762","14.3358","0.0005","10.7957","0.0003","9.8884","0.0003","90","","90","","90","","1530.38","0.08","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0339","0.024","","0.0455","0.0374","0.0448","","","","","","0.942","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119763","14.3999","0.0005","10.7847","0.0003","9.8963","0.0003","90","","90","","90","","1536.88","0.08","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0397","0.027","","0.0429","0.0363","0.0429","","","","","","0.9309","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119764","14.4689","0.0005","10.7738","0.0003","9.9041","0.0003","90","","90","","90","","1543.9","0.08","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0392","0.0263","","0.0546","0.0438","0.0546","","","","","","0.9507","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119765","14.5094","0.0005","10.7659","0.0004","9.9113","0.0003","90","","90","","90","","1548.21","0.09","250","","250","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.043","0.028","","0.0522","0.0436","0.0522","","","","","","0.92","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119766","14.609","0.0005","10.7472","0.0004","9.9276","0.0004","90","","90","","90","","1558.69","0.1","300","","300","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0469","0.0293","","0.0524","0.042","0.0519","","","","","","0.9542","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119767","14.7195","0.0006","10.7233","0.0004","9.95","0.0004","90","","90","","90","","1570.52","0.11","360","","360","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0562","0.0314","","0.0598","0.0442","0.0598","","","","","","0.9547","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119768","14.8002","0.0007","10.7012","0.0005","9.9666","0.0005","90","","90","","90","","1578.51","0.13","400","","400","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0639","0.0368","","0.0872","0.0648","0.0872","","","","","","0.9893","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119769","14.9768","0.0008","10.6404","0.0005","10.0105","0.0006","90","","90","","90","","1595.26","0.15","460","","460","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0788","0.0414","","0.0811","0.0589","0.0811","","","","","","0.9968","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119770","5.89986","0.00021","5.899858","","5.899858","","90","","90","","90","","205.364","0.007","","","295","","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","","","- C2 N2 Zn -","- C2 N2 Zn -","- C4 N4 Zn2 -","2","0.0416667","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.618323","synchrotron","","","","","","","","","","0.927","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119771","5.7707","0.0021","5.7707","","5.7707","","90","","90","","90","","192.17","0.07","295","","295","","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","","","- C2 N2 Zn -","- C2 N2 Zn -","- C4 N4 Zn2 -","2","0.0416667","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.618323","synchrotron","","","","","","","","","","0.415","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119772","12.2842","0.0016","7.6537","0.001","7.5151","0.001","90","","90","","90","","706.57","0.16","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C2 N2 Zn -","- C4 Zn -","- C32 Zn8 -","8","1","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.618484","synchrotron","","","","","","","","","","0.677","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119773","12.67156","0.00063","6.99321","0.0006","6.77444","0.00045","90","","90","","90","","600.32","0.07","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C2 N2 Zn -","- C4 Zn -","- C32 Zn8 -","8","1","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.618484","synchrotron","","","","","","","","","","0.476","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119774","12.65365","0.0009","6.96095","0.00065","6.71431","0.00052","90","","90","","90","","591.41","0.08","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C2 N2 Zn -","- C4 Zn -","- C32 Zn8 -","8","1","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.60665","synchrotron","","","","","","","","","","0.217","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119775","11.2271","0.00028","11.2271","","11.2271","","90","","90","","90","","1415.15","0.04","295","","295","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C2 N2 Zn -","- C2 N2 Zn -","- C16 N16 Zn8 -","8","0.0416667","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.618323","synchrotron","","","","","","","","","","0.433","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119776","11.26421","0.00028","11.26421","","11.26421","","90","","90","","90","","1429.23","0.04","295","","295","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C2 N2 Zn -","- C2 N2 Zn -","- C16 N16 Zn8 -","8","0.0416667","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.618323","synchrotron","","","","","","","","","","0.415","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119777","8.21693","0.00058","8.21693","","13.1705","0.0017","90","","90","","120","","770.11","0.11","295","","295","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- C2 N2 Zn -","- C2 N2 Zn -","- C8 N8 Zn4 -","4","0.166667","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.615183","synchrotron","","","","","","","","","","0.621","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119778","8.1756","0.00068","8.175597","","12.9513","0.0014","90","","90","","120","","749.69","0.1","295","","295","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- C2 N2 Zn -","- C2 N2 Zn -","- C8 N8 Zn4 -","4","0.166667","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.615183","synchrotron","","","","","","","","","","1.104","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119779","12.48147","0.00027","12.48147","","12.48147","","90","","90","","90","","1944.45","0.04","295","","295","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- C2 N2 Zn -","- C2.33333 N2.33333 Zn -","- C28 N28 Zn12 -","12","0.5","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.615183","synchrotron","","","","","","","","","","0.424","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119780","12.46007","0.00083","12.46007","","12.46007","","90","","90","","90","","1934.47","0.13","295","","295","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- C2 N2 Zn -","- C2.33333 N2.33333 Zn -","- C28 N28 Zn12 -","12","0.5","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.60665","synchrotron","","","","","","","","","","0.277","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119781","23.5553","0.0002","23.5553","0.0002","23.5553","0.0002","90","","90","","90","","13069.7","0.19","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C52 H18 F6 N26 O48 Tb6 -","- C52.08 H18.24 F6.24 N26 O48 Tb6 -","- C208.32 H72.96 F24.96 N104 O192 Tb24 -","4","0.0208333","","Dong-Xu Xue; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Yunling Liu; Mohamed H. Alkordi; Mohamed Eddaoudi","Tunable Rare-Earth fcu-MOFs: A Platform for Systematic Enhancement of CO2 Adsorption Energetics and Uptake","Journal of the American Chemical Society","2013","135","","7660","7667","10.1021/ja401429x","","","1.54178","CuKα","","0.0401","0.0359","","","0.1294","0.1315","","","","","","1.099","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119782","23.4365","0.0004","23.4365","0.0004","23.4365","0.0004","90","","90","","90","","12873","0.4","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C52 H18 F6 N26 O78 Y6 -","- C51.84 H18.24 F6.24 N25.92 O78 Y6 -","- C207.36 H72.96 F24.96 N103.68 O312 Y24 -","4","0.0208333","","Dong-Xu Xue; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Yunling Liu; Mohamed H. Alkordi; Mohamed Eddaoudi","Tunable Rare-Earth fcu-MOFs: A Platform for Systematic Enhancement of CO2 Adsorption Energetics and Uptake","Journal of the American Chemical Society","2013","135","","7660","7667","10.1021/ja401429x","","","1.54178","CuKα","","0.0414","0.0395","","","0.116","0.1183","","","","","","1.009","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119783","23.5195","0.0005","23.5195","0.0005","23.5195","0.0005","90","","90","","90","","13010.2","0.5","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C48 H24 N24 O58 Tb6 -","- C48 H24 N24 O58 Tb6 -","- C192 H96 N96 O232 Tb24 -","4","0.0208333","","Dong-Xu Xue; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Yunling Liu; Mohamed H. Alkordi; Mohamed Eddaoudi","Tunable Rare-Earth fcu-MOFs: A Platform for Systematic Enhancement of CO2 Adsorption Energetics and Uptake","Journal of the American Chemical Society","2013","135","","7660","7667","10.1021/ja401429x","","","1.54184","CuKα","","0.0343","0.034","","","0.1028","0.1031","","","","","","1.086","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119784","29.5957","0.0003","29.5957","0.0003","29.5957","0.0003","90","","90","","90","","25923","0.5","200","2","200","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C84 H42 F6 N24 O26 Tb6 -","- C84 H42.24 F6.24 N24 O26 Tb6 -","- C336 H168.96 F24.96 N96 O104 Tb24 -","4","0.0208333","","Dong-Xu Xue; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Yunling Liu; Mohamed H. Alkordi; Mohamed Eddaoudi","Tunable Rare-Earth fcu-MOFs: A Platform for Systematic Enhancement of CO2 Adsorption Energetics and Uptake","Journal of the American Chemical Society","2013","135","","7660","7667","10.1021/ja401429x","","","0.71073","MoKα","","0.0264","0.0236","","","0.0715","0.0724","","","","","","1.072","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119785","29.447","0.003","29.447","0.003","29.447","0.003","90","","90","","90","","25534","5","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C84 H42 F6 N24 O26 Y6 -","- C84 H42.24 F6.24 N24 O26 Y6 -","- C336 H168.96 F24.96 N96 O104 Y24 -","4","0.0208333","","Dong-Xu Xue; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Yunling Liu; Mohamed H. Alkordi; Mohamed Eddaoudi","Tunable Rare-Earth fcu-MOFs: A Platform for Systematic Enhancement of CO2 Adsorption Energetics and Uptake","Journal of the American Chemical Society","2013","135","","7660","7667","10.1021/ja401429x","","","1.54178","CuKα","","0.034","0.0337","","","0.101","0.1016","","","","","","1.059","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119786","27.5127","0.0012","27.5127","0.0012","27.5127","0.0012","90","","90","","90","","20825.7","1.6","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C84 H42 F6 O38 Tb6 -","- C96 H42.24 F6.24 O38 Tb6 -","- C384 H168.96 F24.96 O152 Tb24 -","4","0.0208333","","Dong-Xu Xue; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Yunling Liu; Mohamed H. Alkordi; Mohamed Eddaoudi","Tunable Rare-Earth fcu-MOFs: A Platform for Systematic Enhancement of CO2 Adsorption Energetics and Uptake","Journal of the American Chemical Society","2013","135","","7660","7667","10.1021/ja401429x","","","1.54184","CuKα","","0.042","0.0402","","","0.1105","0.1125","","","","","","1.051","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119787","27.4756","0.0007","27.4756","0.0007","27.4756","0.0007","90","","90","","90","","20741.6","0.9","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C84 H36 F12 O46 Tb6 -","- C84 H36 F12 O46.26 Tb6 -","- C336 H144 F48 O185.04 Tb24 -","4","0.0208333","","Dong-Xu Xue; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Yunling Liu; Mohamed H. Alkordi; Mohamed Eddaoudi","Tunable Rare-Earth fcu-MOFs: A Platform for Systematic Enhancement of CO2 Adsorption Energetics and Uptake","Journal of the American Chemical Society","2013","135","","7660","7667","10.1021/ja401429x","","","1.54178","CuKα","","0.0768","0.0732","","","0.2049","0.2085","","","","","","1.051","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119788","14.789","0.0014","9.76","0.0009","14.6418","0.0014","90","","104.674","0.002","90","","2044.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Au Br2 Cl N2 -","- C19 H20 Au Br2 Cl N2 -","- C76 H80 Au4 Br8 Cl4 N8 -","4","0.5","","Aleksandr V. Zhukhovitskiy; Michael G. Mavros; Troy Van Voorhis; Jeremiah A. Johnson","Addressable Carbene Anchors for Gold Surfaces","Journal of the American Chemical Society","2013","135","","7418","7421","10.1021/ja401965d","","","0.71073","MoKα","","0.0448","0.0427","","","0.1095","0.1134","","","","","","1.09","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119789","19.3549","0.0003","5.12886","0.00005","19.9604","0.0003","90","","115.055","0.0019","90","","1794.99","0.05","100","1","100","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","1","","Johannes Seibel; Oliver Allemann; Jay S. Siegel; Karl-Heinz Ernst","Chiral Conflict among Different Helicenes Suppresses Formation of One Enantiomorph in 2D Crystallization","Journal of the American Chemical Society","2013","135","","7434","7437","10.1021/ja402012j","","","1.54184","CuKα","","0.0354","0.0326","","","0.0867","0.0894","","","","","","1.04","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119790","13.346","0.0007","13.8548","0.0003","13.9495","0.0007","66.714","0.004","67.003","0.005","88.786","0.003","2153.7","0.2","183","2","183","2","","","","","","","","9","P -1","-P 1","2","","Bromo-bridged rhenium mononitrosyl tris(pentafluorophenyl)boron-formato bis(triisopropylphosphine) dimer","","- C74 H86 B2 Br2 F30 N2 O6 P4 Re2 -","- C74 H86 B2 Br2 F30 N2 O6 P4 Re2 -","- C74 H86 B2 Br2 F30 N2 O6 P4 Re2 -","1","0.5","","Yanfeng Jiang; Olivier Blacque; Thomas Fox; Heinz Berke","Catalytic CO2 Activation Assisted by Rhenium Hydride/B(C6F5)3 Frustrated Lewis Pairs-Metal Hydrides Functioning as FLP Bases","Journal of the American Chemical Society","2013","135","","7751","7760","10.1021/ja402381d","","","0.71073","MoKα","","0.0371","0.0253","","","0.0493","0.0543","","","","","","1.093","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119791","19.6025","0.0002","11.5901","0.0001","9.6145","0.0001","90","","90","","90","","2184.37","0.04","183","2","183","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,2,6,6-Tetramethylpiperidinium formate","","- C10 H21 N O2 -","- C10 H21 N O2 -","- C80 H168 N8 O16 -","8","1","","Yanfeng Jiang; Olivier Blacque; Thomas Fox; Heinz Berke","Catalytic CO2 Activation Assisted by Rhenium Hydride/B(C6F5)3 Frustrated Lewis Pairs-Metal Hydrides Functioning as FLP Bases","Journal of the American Chemical Society","2013","135","","7751","7760","10.1021/ja402381d","","","1.54184","CuKα","","0.0508","0.0499","","","0.1389","0.1398","","","","","","1.047","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119792","12.7738","0.0006","13.9744","0.0007","17.901","0.0008","90","","106.38","0.0005","90","","3065.7","0.3","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 Bi N3 O3 -","- C29 H42 Bi N3 O3 -","- C116 H168 Bi4 N12 O12 -","4","1","","Douglas R. Kindra; Ian J. Casely; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Insertion of CO2 and COS into Bi-C Bonds: Reactivity of a Bismuth NCN Pincer Complex of an Oxyaryl Dianionic Ligand, [2,6-(Me2NCH2)2C6H3]Bi(C6H2tBu2O)","Journal of the American Chemical Society","2013","135","","7777","7787","10.1021/ja403133f","","","0.71073","MoKα","","0.0306","0.022","","","0.0479","0.0503","","","","","","1.08","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119793","12.0702","0.0007","16.4669","0.0009","37.181","0.002","90","","90","","90","","7390.1","0.7","143","2","143","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C32 H51 Bi F3 N3 O4 S Si -","- C32 H51 Bi F3 N3 O4 S Si -","- C256 H408 Bi8 F24 N24 O32 S8 Si8 -","8","1","","Douglas R. Kindra; Ian J. Casely; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Insertion of CO2 and COS into Bi-C Bonds: Reactivity of a Bismuth NCN Pincer Complex of an Oxyaryl Dianionic Ligand, [2,6-(Me2NCH2)2C6H3]Bi(C6H2tBu2O)","Journal of the American Chemical Society","2013","135","","7777","7787","10.1021/ja403133f","","","0.71073","MoKα","","0.0234","0.0177","","","0.0384","0.0401","","","","","","1.039","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119794","13.2358","0.0005","17.3249","0.0007","13.3003","0.0005","90","","116.129","0.0004","90","","2738.2","0.18","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 Bi N2 O2 S -","- C27 H39 Bi N2 O2 S -","- C108 H156 Bi4 N8 O8 S4 -","4","1","","Douglas R. Kindra; Ian J. Casely; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Insertion of CO2 and COS into Bi-C Bonds: Reactivity of a Bismuth NCN Pincer Complex of an Oxyaryl Dianionic Ligand, [2,6-(Me2NCH2)2C6H3]Bi(C6H2tBu2O)","Journal of the American Chemical Society","2013","135","","7777","7787","10.1021/ja403133f","","","0.71073","MoKα","","0.0193","0.0163","","","0.0371","0.038","","","","","","1.035","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119795","12.9129","0.0007","14.9962","0.0008","17.9034","0.001","101.323","0.0006","101.237","0.0006","98.9213","0.0006","3266.2","0.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 Bi N3 O Si -","- C30 H48 Bi N3 O Si -","- C120 H192 Bi4 N12 O4 Si4 -","4","2","","Douglas R. Kindra; Ian J. Casely; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Insertion of CO2 and COS into Bi-C Bonds: Reactivity of a Bismuth NCN Pincer Complex of an Oxyaryl Dianionic Ligand, [2,6-(Me2NCH2)2C6H3]Bi(C6H2tBu2O)","Journal of the American Chemical Society","2013","135","","7777","7787","10.1021/ja403133f","","","0.71073","MoKα","","0.0211","0.0167","","","0.0374","0.0385","","","","","","1.022","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119796","8.2299","0.0005","9.5398","0.0006","12.9942","0.0009","108.994","0.0006","101.445","0.0006","102.612","0.0006","900.33","0.1","88","2","88","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 Bi N9 -","- C14 H22 Bi N9 -","- C28 H44 Bi2 N18 -","2","1","","Douglas R. Kindra; Ian J. Casely; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Insertion of CO2 and COS into Bi-C Bonds: Reactivity of a Bismuth NCN Pincer Complex of an Oxyaryl Dianionic Ligand, [2,6-(Me2NCH2)2C6H3]Bi(C6H2tBu2O)","Journal of the American Chemical Society","2013","135","","7777","7787","10.1021/ja403133f","","","0.71073","MoKα","","0.0126","0.0123","","","0.0294","0.0296","","","","","","1.084","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119797","25.264","0.005","47.896","0.01","31.413","0.006","90","","102.01","0.03","90","","37179","13","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C309 H367 Cl5 N23 O86 Tb15 -","- C309 H361 Cl5.01 N23 O86 Tb15 -","- C1236 H1444 Cl20.04 N92 O344 Tb60 -","4","1","","Dominique T. Thielemann; Anna T. Wagner; Esther Rösch; Dominik K. Kölmel; Joachim G. Heck; Birgit Rudat; Marco Neumaier; Claus Feldmann; Ute Schepers; Stefan Bräse; Peter W. Roesky","Luminescent Cell-Penetrating Pentadecanuclear Lanthanide Clusters","Journal of the American Chemical Society","2013","135","","7454","7457","10.1021/ja403539t","","","0.71073","MoKα","","0.1648","0.0586","","","0.1317","0.162","","","","","","0.792","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119798","26.153","0.002","29.754","0.002","28.621","0.002","90","","90","","90","","22272","3","150","2","150","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C194 H144 Co16 N68 O47 -","- C194 H144 Co16 N68 O47 -","- C776 H576 Co64 N272 O188 -","4","0.5","","Yue-Qiao Hu; Ming-Hua Zeng; Kun Zhang; Sheng Hu; Fu-Fang Zhou; Mohamedally Kurmoo","Tracking the Formation of a Polynuclear Co16 Complex and Its Elimination and Substitution Reactions by Mass Spectroscopy and Crystallography","Journal of the American Chemical Society","2013","135","","7901","7908","10.1021/ja3123784","","","0.71073","MoKα","","0.0726","0.059","","","0.1651","0.1793","","","","","","1.056","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119799","17.5766","0.0003","17.1387","0.0002","12.8097","0.0002","90","","95.836","0.002","90","","3838.79","0.1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C64 H52 Co4 N20 O24.67 -","- C64 H52 Co4 N20 O24.66 -","- C128 H104 Co8 N40 O49.32 -","2","0.5","","Yue-Qiao Hu; Ming-Hua Zeng; Kun Zhang; Sheng Hu; Fu-Fang Zhou; Mohamedally Kurmoo","Tracking the Formation of a Polynuclear Co16 Complex and Its Elimination and Substitution Reactions by Mass Spectroscopy and Crystallography","Journal of the American Chemical Society","2013","135","","7901","7908","10.1021/ja3123784","","","0.71073","MoKα","","0.0395","0.0347","","","0.0931","0.0981","","","","","","1.081","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119800","25.326","0.003","25.326","0.003","25.326","0.003","90","","90","","90","","16244","3","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C30 O17 S6 Zn4 -","- C30 O17 S6 Zn4 -","- C240 O136 S48 Zn32 -","8","0.0416667","","Jun He; Meiqin Zha; Jieshun Cui; Matthias Zeller; Allen D. Hunter; Shek-Man Yiu; Shuit-Tong Lee; Zhengtao Xu","Convenient Detection of Pd(II) by a Metal-Organic Framework with Sulfur and Olefin Functions","Journal of the American Chemical Society","2013","135","","7807","7810","10.1021/ja401479j","","","0.71073","MoKα","","0.3137","0.2257","","","0.5503","0.5959","","","","","","1.929","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119801","25.6567","0.0016","25.6567","0.0016","25.6567","0.0016","90","","90","","90","","16888.9","1.8","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C42 H42 O13 S6 Zn4 -","- C42 H42 O13 S6 Zn4 -","- C336 H336 O104 S48 Zn32 -","8","0.0416667","","Jun He; Meiqin Zha; Jieshun Cui; Matthias Zeller; Allen D. Hunter; Shek-Man Yiu; Shuit-Tong Lee; Zhengtao Xu","Convenient Detection of Pd(II) by a Metal-Organic Framework with Sulfur and Olefin Functions","Journal of the American Chemical Society","2013","135","","7807","7810","10.1021/ja401479j","","","0.71073","MoKα","","0.1533","0.1089","","","0.3239","0.3856","","","","","","1.463","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119802","12.112","0.002","13.471","0.003","19.519","0.004","74.9","0.03","75.07","0.03","87.46","0.03","2970.1","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H72 P2 Pt Si8 Sn -","- C42 H72 P2 Pt Si8 Sn -","- C84 H144 P4 Pt2 Si16 Sn2 -","2","1","","Henning Arp; Christoph Marschner; Judith Baumgartner; Patrick Zark; Thomas Müller","Coordination Chemistry of Disilylated Stannylenes with Group 10 d10 Transition Metals: Silastannene vs Stannylene Complexation","Journal of the American Chemical Society","2013","135","","7949","7959","10.1021/ja401548d","","","0.71073","MoKα","","0.1094","0.0758","","","0.1717","0.1871","","","","","","0.949","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119803","12.226","0.002","13.613","0.003","20.105","0.004","71.61","0.03","74.94","0.03","87.72","0.03","3062.9","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H72 P2 Pd Si8 Sn -","- C42 H72 P2 Pd Si8 Sn -","- C84 H144 P4 Pd2 Si16 Sn2 -","2","1","","Henning Arp; Christoph Marschner; Judith Baumgartner; Patrick Zark; Thomas Müller","Coordination Chemistry of Disilylated Stannylenes with Group 10 d10 Transition Metals: Silastannene vs Stannylene Complexation","Journal of the American Chemical Society","2013","135","","7949","7959","10.1021/ja401548d","","","0.71073","MoKα","","0.1293","0.0977","","","0.2212","0.2371","","","","","","1.109","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119804","12.108","0.002","21.981","0.004","20.554","0.004","90","","98.9","0.03","90","","5404.5","1.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H88 K N O2 Si10 Sn -","- C32 H88 K N O2 Si10 Sn -","- C128 H352 K4 N4 O8 Si40 Sn4 -","4","1","","Henning Arp; Christoph Marschner; Judith Baumgartner; Patrick Zark; Thomas Müller","Coordination Chemistry of Disilylated Stannylenes with Group 10 d10 Transition Metals: Silastannene vs Stannylene Complexation","Journal of the American Chemical Society","2013","135","","7949","7959","10.1021/ja401548d","","","0.71073","MoKα","","0.1139","0.0994","","","0.1711","0.1765","","","","","","1.38","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119805","11.31","0.002","8.9693","0.0018","11.403","0.002","90","","90.92","0.03","90","","1156.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Cl2 P Sn -","- C6 H15 Cl2 P Sn -","- C24 H60 Cl8 P4 Sn4 -","4","1","","Henning Arp; Christoph Marschner; Judith Baumgartner; Patrick Zark; Thomas Müller","Coordination Chemistry of Disilylated Stannylenes with Group 10 d10 Transition Metals: Silastannene vs Stannylene Complexation","Journal of the American Chemical Society","2013","135","","7949","7959","10.1021/ja401548d","","","0.71073","MoKα","","0.0484","0.0466","","","0.0997","0.1004","","","","","","1.391","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119806","12.122","0.002","19.136","0.003","18.629","0.003","90","","102.855","0.003","90","","4213","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H69 P Si8 Sn -","- C24 H69 P Si8 Sn -","- C96 H276 P4 Si32 Sn4 -","4","1","","Henning Arp; Christoph Marschner; Judith Baumgartner; Patrick Zark; Thomas Müller","Coordination Chemistry of Disilylated Stannylenes with Group 10 d10 Transition Metals: Silastannene vs Stannylene Complexation","Journal of the American Chemical Society","2013","135","","7949","7959","10.1021/ja401548d","","","0.71073","MoKα","","0.0685","0.0554","","","0.1274","0.1339","","","","","","1.084","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119807","13.201","0.003","21.731","0.004","19.717","0.004","90","","97.37","0.03","90","","5610","2","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H78 P2 Pd Si8 Sn -","- C44 H78 P2 Pd Si8 Sn -","- C176 H312 P8 Pd4 Si32 Sn4 -","4","1","","Henning Arp; Christoph Marschner; Judith Baumgartner; Patrick Zark; Thomas Müller","Coordination Chemistry of Disilylated Stannylenes with Group 10 d10 Transition Metals: Silastannene vs Stannylene Complexation","Journal of the American Chemical Society","2013","135","","7949","7959","10.1021/ja401548d","","","0.71073","MoKα","","0.0539","0.0493","","","0.1013","0.1033","","","","","","1.253","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119808","13.447","0.003","17.291","0.004","21.445","0.004","90","","93.93","0.03","90","","4974.5","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H84 Ni P2 Si8 Sn -","- C30 H84 Ni P2 Si8 Sn -","- C120 H336 Ni4 P8 Si32 Sn4 -","4","1","","Henning Arp; Christoph Marschner; Judith Baumgartner; Patrick Zark; Thomas Müller","Coordination Chemistry of Disilylated Stannylenes with Group 10 d10 Transition Metals: Silastannene vs Stannylene Complexation","Journal of the American Chemical Society","2013","135","","7949","7959","10.1021/ja401548d","","","0.71073","MoKα","","0.0976","0.0886","","","0.1609","0.1648","","","","","","1.362","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119809","18.648","0.004","38.15","0.008","15.294","0.003","90","","125.87","0.03","90","","8817","5","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3a","","","- C106 H70 F24 N4 O4 -","- C106 H70 F24 N4 O4 -","- C424 H280 F96 N16 O16 -","4","0.5","","Masayoshi Takase; Tomoyuki Narita; Wataru Fujita; Motoko S. Asano; Tohru Nishinaga; Hiroaki Benten; Kenji Yoza; Klaus Müllen","Pyrrole-Fused Azacoronene Family: The Influence of Replacement with Dialkoxybenzenes on the Optical and Electronic Properties in Neutral and Oxidized States","Journal of the American Chemical Society","2013","135","","8031","8040","10.1021/ja402371f","","","0.71073","MoKα","","0.1743","0.0665","","","0.1457","0.1915","","","","","","0.905","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119810","17.1224","0.0017","18.0032","0.0017","23.929","0.002","102.366","0.001","93.745","0.001","113.254","0.001","6526.9","1","93","","93","","","","","","","","","5","P -1","-P 1","2","4b","","","- C150 H177 F18 N3 O6 -","- C150 H177 F18 N3 O6 -","- C300 H354 F36 N6 O12 -","2","1","","Masayoshi Takase; Tomoyuki Narita; Wataru Fujita; Motoko S. Asano; Tohru Nishinaga; Hiroaki Benten; Kenji Yoza; Klaus Müllen","Pyrrole-Fused Azacoronene Family: The Influence of Replacement with Dialkoxybenzenes on the Optical and Electronic Properties in Neutral and Oxidized States","Journal of the American Chemical Society","2013","135","","8031","8040","10.1021/ja402371f","","","0.71073","MoKα","","0.1507","0.0843","","","0.2319","0.279","","","","","","1.04","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119811","44.931","0.003","47.822","0.004","20.0654","0.0015","90","","90","","90","","43114","6","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","4a2+","","","- C103.5 H84 Cl15 F18 N3 O6 Sb2 -","- C103.5 H84 Cl15 F18 N3 O6 Sb2 -","- C1656 H1344 Cl240 F288 N48 O96 Sb32 -","16","1","","Masayoshi Takase; Tomoyuki Narita; Wataru Fujita; Motoko S. Asano; Tohru Nishinaga; Hiroaki Benten; Kenji Yoza; Klaus Müllen","Pyrrole-Fused Azacoronene Family: The Influence of Replacement with Dialkoxybenzenes on the Optical and Electronic Properties in Neutral and Oxidized States","Journal of the American Chemical Society","2013","135","","8031","8040","10.1021/ja402371f","","","0.7107","MoKα","","0.0659","0.0548","","","0.1349","0.1465","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119812","16.88","0.003","16.898","0.003","20.94","0.004","99.12","0.03","104.64","0.03","118.83","0.03","4778","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","12b","","","- C102 H93 F18 N3 O6 -","- C102 H93 F18 N3 O6 -","- C204 H186 F36 N6 O12 -","2","1","","Masayoshi Takase; Tomoyuki Narita; Wataru Fujita; Motoko S. Asano; Tohru Nishinaga; Hiroaki Benten; Kenji Yoza; Klaus Müllen","Pyrrole-Fused Azacoronene Family: The Influence of Replacement with Dialkoxybenzenes on the Optical and Electronic Properties in Neutral and Oxidized States","Journal of the American Chemical Society","2013","135","","8031","8040","10.1021/ja402371f","","","0.71073","MoKα","","0.1333","0.0784","","","0.2253","0.2708","","","","","","1.043","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119813","14.7405","0.0008","6.7959","0.0004","17.2665","0.0009","90","","100.755","0.003","90","","1699.29","0.16","100","","100","","","","","","","","Synthesized by the authors. See text","6","P 1 21 1","P 2yb","4","","","","- C17 H12 Cl F N2 O6 -","- C17 H12 Cl F N2 O6 -","- C68 H48 Cl4 F4 N8 O24 -","4","2","","Louis-Philippe B. Beaulieu; Jakob F. Schneider; André B. Charette","Highly Enantioselective Simmons-Smith Fluorocyclopropanation of Allylic Alcohols via the Halogen Scrambling Strategy of Zinc Carbenoids","Journal of the American Chemical Society","2013","135","","7819","7822","10.1021/ja402393w","","","1.54178","CuKα","","0.0588","0.0549","","","0.1517","0.1573","","","","","","1.033","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119814","8.67519","0.00013","13.1864","0.0002","19.5646","0.0002","90","","90","","90","","2238.08","0.05","99.94","0.18","99.94","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C108 H100 N4 O16 -","4","1","","Luca Dell'Amico; Łukasz Albrecht; Tricia Naicker; Pernille H. Poulsen; Karl Anker Jørgensen","Beyond Classical Reactivity Patterns: Shifting from 1,4- to 1,6-Additions in Regio- and Enantioselective Organocatalyzed Vinylogous Reactions of Olefinic Lactones with Enals and 2,4-Dienals","Journal of the American Chemical Society","2013","135","","8063","8070","10.1021/ja4029928","","","0.7107","MoKα","","0.0565","0.0399","","","0.0791","0.0867","","","","","","1.056","","","","has coordinates,has Fobs","178969","2020-10-21","18:00:00",""
"4119815","10.6947","0.0002","6.9315","0.0001","31.4287","0.0006","90","","94.27","0.001","90","","2323.35","0.07","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N O4.5 -","- C28 H24 N O4.5 -","- C112 H96 N4 O18 -","4","1","","Weidong Rao; Ming Joo Koh; Dan Li; Hajime Hirao; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,6-Diyne Carbonates and Esters to 2,4a-Dihydro-1H-fluorenes","Journal of the American Chemical Society","2013","135","","7926","7932","10.1021/ja4032727","","","0.71073","MoKα","","0.0713","0.0503","","","0.1325","0.1521","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119816","11.0748","0.0004","12.7661","0.0005","19.121","0.0007","102.802","0.002","101.802","0.002","101.914","0.002","2489.06","0.17","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H29 N O4 -","- C32 H29 N O4 -","- C128 H116 N4 O16 -","4","2","","Weidong Rao; Ming Joo Koh; Dan Li; Hajime Hirao; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,6-Diyne Carbonates and Esters to 2,4a-Dihydro-1H-fluorenes","Journal of the American Chemical Society","2013","135","","7926","7932","10.1021/ja4032727","","","0.71073","MoKα","","0.0922","0.0526","","","0.1228","0.1514","","","","","","1.025","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119817","9.079","0.0005","36.296","0.002","6.5673","0.0003","90","","108.441","0.003","90","","2053","0.19","103","2","103","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C26 H19 N O5 -","- C26 H19 N O5 -","- C104 H76 N4 O20 -","4","2","","Weidong Rao; Ming Joo Koh; Dan Li; Hajime Hirao; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,6-Diyne Carbonates and Esters to 2,4a-Dihydro-1H-fluorenes","Journal of the American Chemical Society","2013","135","","7926","7932","10.1021/ja4032727","","","0.71073","MoKα","","0.0639","0.0514","","","0.125","0.1462","","","","","","1.124","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119818","8.7642","0.0002","19.015","0.0004","23.7599","0.0005","88.134","0.001","84.92","0.001","84.246","0.001","3923.07","0.15","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C35.5 H57 Au Cl F6 N P Sb -","- C35.5 H57 Au Cl F6 N P Sb -","- C142 H228 Au4 Cl4 F24 N4 P4 Sb4 -","4","2","","Weidong Rao; Ming Joo Koh; Dan Li; Hajime Hirao; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,6-Diyne Carbonates and Esters to 2,4a-Dihydro-1H-fluorenes","Journal of the American Chemical Society","2013","135","","7926","7932","10.1021/ja4032727","","","0.71073","MoKα","","0.051","0.0334","","","0.0823","0.1014","","","","","","1.085","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119819","18.6896","0.0019","10.0615","0.001","19.5653","0.0017","90","","100.148","0.002","90","","3621.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H43 N3 O8 -","- C39 N3 O8 -","- C156 N12 O32 -","4","1","","Hu Xiong; Hao Xu; Saihu Liao; Zuowei Xie; Yong Tang","Copper-Catalyzed Highly Enantioselective Cyclopentannulation of Indoles with Donor-Acceptor Cyclopropanes","Journal of the American Chemical Society","2013","135","","7851","7854","10.1021/ja4042127","","","0.71073","MoKα","","0.1125","0.0695","","","0.191","0.2242","","","","","","1.022","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119820","13.8961","0.0013","11.3528","0.0011","17.3669","0.0016","90","","92.113","0.002","90","","2737.9","0.4","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H30 Br N O5 -","- C30 H30 Br N O5 -","- C120 H120 Br4 N4 O20 -","4","2","","Hu Xiong; Hao Xu; Saihu Liao; Zuowei Xie; Yong Tang","Copper-Catalyzed Highly Enantioselective Cyclopentannulation of Indoles with Donor-Acceptor Cyclopropanes","Journal of the American Chemical Society","2013","135","","7851","7854","10.1021/ja4042127","","","0.71073","MoKα","","0.0573","0.0402","","","0.0923","0.1","","","","","","0.919","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119821","10.1812","0.0011","17.5643","0.0019","14.5731","0.0015","90","","99.106","0.002","90","","2573.2","0.5","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 N O5 -","- C32 H33 N O5 -","- C128 H132 N4 O20 -","4","1","","Hu Xiong; Hao Xu; Saihu Liao; Zuowei Xie; Yong Tang","Copper-Catalyzed Highly Enantioselective Cyclopentannulation of Indoles with Donor-Acceptor Cyclopropanes","Journal of the American Chemical Society","2013","135","","7851","7854","10.1021/ja4042127","","","0.71073","MoKα","","0.0825","0.0531","","","0.1306","0.1454","","","","","","1.026","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119822","22.604","0.003","22.604","0.003","17.635","0.003","90","","90","","120","","7803","2","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C51 H62 Br2 Cu N2 O2 -","- C51 H62 Br2 Cu N2 O2 -","- C306 H372 Br12 Cu6 N12 O12 -","6","1","","Hu Xiong; Hao Xu; Saihu Liao; Zuowei Xie; Yong Tang","Copper-Catalyzed Highly Enantioselective Cyclopentannulation of Indoles with Donor-Acceptor Cyclopropanes","Journal of the American Chemical Society","2013","135","","7851","7854","10.1021/ja4042127","","","0.71073","MoKα","","0.13","0.0615","","","0.1414","0.1625","","","","","","0.88","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119823","10.0483","0.0001","11.2756","0.0001","14.6132","0.0002","79.001","0.001","73.124","0.001","84.292","0.001","1553.57","0.03","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","chisholm1925","","","- C64 H74 Mo2 N2 O10 S2 -","- C64 H74 Mo2 N2 O10 S2 -","- C64 H74 Mo2 N2 O10 S2 -","1","0.5","","Samantha E. Brown-Xu; Malcolm H. Chisholm; Christopher B. Durr; Thomas F. Spilker","Metal-Metal Quadruple Bonds Supported by 5-Ethynylthiophene-2-carboxylato Ligands: Preparation, Molecular and Electronic Structures, Photoexcited State Dynamics, and Application as Molecular Synthons","Journal of the American Chemical Society","2013","135","","8254","8259","10.1021/ja400508u","","x-ray","0.71073","MoKα","","0.0614","0.0387","","","0.0991","0.1251","","","","","","1.178","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119824","23.8873","0.0006","9.0066","0.0002","27.0771","0.0007","90","","90","","90","","5825.5","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C58 H76 Mo2 O11 S2 -","- C58 H76 Mo2 O11 S2 -","- C232 H304 Mo8 O44 S8 -","4","1","","Samantha E. Brown-Xu; Malcolm H. Chisholm; Christopher B. Durr; Thomas F. Spilker","Metal-Metal Quadruple Bonds Supported by 5-Ethynylthiophene-2-carboxylato Ligands: Preparation, Molecular and Electronic Structures, Photoexcited State Dynamics, and Application as Molecular Synthons","Journal of the American Chemical Society","2013","135","","8254","8259","10.1021/ja400508u","","","0.71073","MoKα","","0.0668","0.0396","","","0.085","0.0944","","","","","","1.084","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119825","18.1995","0.0003","14.7978","0.0002","18.4363","0.0003","90","","104.156","0.001","90","","4814.35","0.13","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","chisholm1921","","","- C98 H112 Au2 Mo2 O12 P2 S2 -","- C98 H112 Au2 Mo2 O12 P2 S2 -","- C196 H224 Au4 Mo4 O24 P4 S4 -","2","0.5","","Samantha E. Brown-Xu; Malcolm H. Chisholm; Christopher B. Durr; Thomas F. Spilker","Metal-Metal Quadruple Bonds Supported by 5-Ethynylthiophene-2-carboxylato Ligands: Preparation, Molecular and Electronic Structures, Photoexcited State Dynamics, and Application as Molecular Synthons","Journal of the American Chemical Society","2013","135","","8254","8259","10.1021/ja400508u","","x-ray","0.71073","MoKα","","0.0641","0.0465","","","0.1148","0.1242","","","","","","1.056","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119826","7.9326","0.0016","13.758","0.003","27.001","0.005","90","","90","","90","","2946.8","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 Br N O4 S -","- C13 H16 Br N O4 S -","- C104 H128 Br8 N8 O32 S8 -","8","2","","Deshun Huang; Xiaoqin Liu; Lijun Li; Yudong Cai; Weigang Liu; Yian Shi","Enantioselective Bromoaminocyclization of Allyl N-Tosylcarbamates Catalyzed by a Chiral Phosphine-Sc(OTf)3 Complex","Journal of the American Chemical Society","2013","135","","8101","8104","10.1021/ja4010877","","","0.71073","MoKα","","0.044","0.0406","","","0.0847","0.0868","","","","","","1.081","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119827","13.678","0.003","20.782","0.006","6.334","0.009","90","","90","","90","","1800","3","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C16 H22 Br N O4 S -","- C16 H22 Br N O4 S -","- C64 H88 Br4 N4 O16 S4 -","4","1","","Deshun Huang; Xiaoqin Liu; Lijun Li; Yudong Cai; Weigang Liu; Yian Shi","Enantioselective Bromoaminocyclization of Allyl N-Tosylcarbamates Catalyzed by a Chiral Phosphine-Sc(OTf)3 Complex","Journal of the American Chemical Society","2013","135","","8101","8104","10.1021/ja4010877","","","0.71073","MoKα","","0.0654","0.0541","","","0.1078","0.1136","","","","","","1.177","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119828","6.0191","0.0004","32.638","0.002","8.3461","0.0006","90","","107.981","0.003","90","","1559.52","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Br N O4 S -","- C14 H18 Br N O4 S -","- C56 H72 Br4 N4 O16 S4 -","4","1","","Deshun Huang; Xiaoqin Liu; Lijun Li; Yudong Cai; Weigang Liu; Yian Shi","Enantioselective Bromoaminocyclization of Allyl N-Tosylcarbamates Catalyzed by a Chiral Phosphine-Sc(OTf)3 Complex","Journal of the American Chemical Society","2013","135","","8101","8104","10.1021/ja4010877","","","0.71073","MoKα","","0.0509","0.0428","","","0.0848","0.0893","","","","","","1.078","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119829","8.056","0.003","11.62","0.004","8.287","0.003","90","","95.035","0.005","90","","772.8","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Br N O4 S -","- C14 H18 Br N O4 S -","- C28 H36 Br2 N2 O8 S2 -","2","1","","Deshun Huang; Xiaoqin Liu; Lijun Li; Yudong Cai; Weigang Liu; Yian Shi","Enantioselective Bromoaminocyclization of Allyl N-Tosylcarbamates Catalyzed by a Chiral Phosphine-Sc(OTf)3 Complex","Journal of the American Chemical Society","2013","135","","8101","8104","10.1021/ja4010877","","","0.71073","MoKα","","0.0306","0.029","","","0.0698","0.0707","","","","","","1.103","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119830","14.184","0.003","7.9032","0.0016","27.865","0.006","90","","90.14","0.03","90","","3123.6","1.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H16 N4 O4 S -","- C13 H16 N4 O4 S -","- C104 H128 N32 O32 S8 -","8","4","","Deshun Huang; Xiaoqin Liu; Lijun Li; Yudong Cai; Weigang Liu; Yian Shi","Enantioselective Bromoaminocyclization of Allyl N-Tosylcarbamates Catalyzed by a Chiral Phosphine-Sc(OTf)3 Complex","Journal of the American Chemical Society","2013","135","","8101","8104","10.1021/ja4010877","","","0.71073","MoKα","","0.1282","0.1101","","","0.2677","0.2849","","","","","","1.087","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119831","14.4","0.003","14.6132","0.0019","20.424","0.003","86.927","0.012","79.811","0.016","67.788","0.017","3915.7","1.2","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H76 Co2 F12 N12 O4 P2 -","- C77 H76 Co2 F12 N12 O4 P2 -","- C154 H152 Co4 F24 N24 O8 P4 -","2","1","","Kerwyn G. Alley; Giordano Poneti; Peter S. D. Robinson; Ayman Nafady; Boujemaa Moubaraki; Jade B. Aitken; Simon C. Drew; Chris Ritchie; Brendan F. Abrahams; Rosalie K. Hocking; Keith S. Murray; Alan M. Bond; Hugh H. Harris; Lorenzo Sorace; Colette Boskovic","Redox Activity and Two-Step Valence Tautomerism in a Family of Dinuclear Cobalt Complexes with a Spiroconjugated Bis(dioxolene) Ligand","Journal of the American Chemical Society","2013","135","","8304","8323","10.1021/ja4021155","","","1.54184","CuKα","","0.1534","0.0887","","","0.2296","0.2884","","","","","","1.034","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119832","20.2344","0.0008","13.0215","0.0005","27.8716","0.001","90","","92.334","0.003","90","","7337.6","0.5","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H96 Cl4 Co3 N8 O11 -","- C63 H68 Cl4 Co3 N8 O4 -","- C252 H272 Cl16 Co12 N32 O16 -","4","1","","Kerwyn G. Alley; Giordano Poneti; Peter S. D. Robinson; Ayman Nafady; Boujemaa Moubaraki; Jade B. Aitken; Simon C. Drew; Chris Ritchie; Brendan F. Abrahams; Rosalie K. Hocking; Keith S. Murray; Alan M. Bond; Hugh H. Harris; Lorenzo Sorace; Colette Boskovic","Redox Activity and Two-Step Valence Tautomerism in a Family of Dinuclear Cobalt Complexes with a Spiroconjugated Bis(dioxolene) Ligand","Journal of the American Chemical Society","2013","135","","8304","8323","10.1021/ja4021155","","","1.54184","CuKα","","0.0761","0.0546","","","0.1374","0.1506","","","","","","1.052","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119833","22.8044","0.0009","41.7897","0.0011","17.9753","0.0009","90","","90","","90","","17130.3","1.2","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C69 H80 Co2 F24 N8 O8 P4 -","- C63 H68 Co2 F18 N8 O6 P3 -","- C504 H544 Co16 F144 N64 O48 P24 -","8","1","","Kerwyn G. Alley; Giordano Poneti; Peter S. D. Robinson; Ayman Nafady; Boujemaa Moubaraki; Jade B. Aitken; Simon C. Drew; Chris Ritchie; Brendan F. Abrahams; Rosalie K. Hocking; Keith S. Murray; Alan M. Bond; Hugh H. Harris; Lorenzo Sorace; Colette Boskovic","Redox Activity and Two-Step Valence Tautomerism in a Family of Dinuclear Cobalt Complexes with a Spiroconjugated Bis(dioxolene) Ligand","Journal of the American Chemical Society","2013","135","","8304","8323","10.1021/ja4021155","","","1.54184","CuKα","","0.1545","0.1114","","","0.3037","0.3312","","","","","","0.986","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119834","23.062","0.003","20.06","0.002","20.986","0.005","90","","110.978","0.007","90","","9065","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H51 N11 O11 -","- C44 H51 N11 O11 -","- C352 H408 N88 O88 -","8","2","","Louis Adriaenssens; Carolina Estarellas; Andreas Vargas Jentzsch; Marta Martinez Belmonte; Stefan Matile; Pablo Ballester","Quantification of Nitrate-π Interactions and Selective Transport of Nitrate Using Calix[4]pyrroles with Two Aromatic Walls","Journal of the American Chemical Society","2013","135","","8324","8330","10.1021/ja4021793","","","0.71073","MoKα","","0.102","0.0547","","","0.132","0.1621","","","","","","1.026","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119835","10.0402","0.0008","10.6867","0.0008","11.3007","0.0009","109.28","0.003","102.198","0.003","91.952","0.003","1111.58","0.15","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H51 Cl0.12 N10.88 O10.9 -","- C44 H51 Cl0.12 N10.88 O10.9 -","- C44 H51 Cl0.12 N10.88 O10.9 -","1","1","","Louis Adriaenssens; Carolina Estarellas; Andreas Vargas Jentzsch; Marta Martinez Belmonte; Stefan Matile; Pablo Ballester","Quantification of Nitrate-π Interactions and Selective Transport of Nitrate Using Calix[4]pyrroles with Two Aromatic Walls","Journal of the American Chemical Society","2013","135","","8324","8330","10.1021/ja4021793","","","0.71073","MoKα","","0.0442","0.0416","","","0.1145","0.1207","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119836","18.1252","0.0018","17.8848","0.0018","18.1859","0.0019","90","","115.66","0.002","90","","5313.9","0.9","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C86 H92 Cu2 F12 N8 O26 Rh4 S4 -","- C84 H84 Cu2 F6 N8 O20 Rh4 S2 -","- C168 H168 Cu4 F12 N16 O40 Rh8 S4 -","2","0.5","","Sheng-Li Huang; Yue-Jian Lin; T. S. Andy Hor; Guo-Xin Jin","Cp*Rh-Based Heterometallic Metallarectangles: Size-Dependent Borromean Link Structures and Catalytic Acyl Transfer","Journal of the American Chemical Society","2013","135","","8125","8128","10.1021/ja402630g","","","0.71073","MoKα","","0.1266","0.1096","","","0.3247","0.3505","","","","","","1.461","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119837","9.7233","0.0001","16.49","0.0002","34.7166","0.0004","90","","94.394","0.001","90","","5550","0.11","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C94 H112 Cu2 F12 N8 O30 Rh4 S4 -","- C94 H112 Cu2 F12 N8 O30 Rh4 S4 -","- C188 H224 Cu4 F24 N16 O60 Rh8 S8 -","2","0.5","","Sheng-Li Huang; Yue-Jian Lin; T. S. Andy Hor; Guo-Xin Jin","Cp*Rh-Based Heterometallic Metallarectangles: Size-Dependent Borromean Link Structures and Catalytic Acyl Transfer","Journal of the American Chemical Society","2013","135","","8125","8128","10.1021/ja402630g","","","1.54178","CuKα","","0.0587","0.046","","","0.1122","0.1192","","","","","","1.056","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119838","37.549","0.002","30.069","0.002","37.472","0.002","90","","114.19","0.003","90","","38593","4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C94 H115.33 Cu2 F12 N12 O35.67 Rh4 S4 -","- C90 H94.6667 Cu2 F10 N12 O28 Rh4 S3.33333 -","- C1080 H1136 Cu24 F120 N144 O336 Rh48 S40 -","12","1.5","","Sheng-Li Huang; Yue-Jian Lin; T. S. Andy Hor; Guo-Xin Jin","Cp*Rh-Based Heterometallic Metallarectangles: Size-Dependent Borromean Link Structures and Catalytic Acyl Transfer","Journal of the American Chemical Society","2013","135","","8125","8128","10.1021/ja402630g","","","1.54178","CuKα","","0.1343","0.0905","","","0.254","0.2919","","","","","","1.031","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119839","41.014","0.0008","23.7783","0.0004","37.6234","0.0007","90","","103.62","0.001","90","","35660.1","1.1","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C103.67 H120.67 Cu2 F12 N8 O31 Rh4 S4 -","- C96.6667 H92 Cu2 F11 N8 O26 Rh4 S3.66667 -","- C1160 H1104 Cu24 F132 N96 O312 Rh48 S44 -","12","1.5","","Sheng-Li Huang; Yue-Jian Lin; T. S. Andy Hor; Guo-Xin Jin","Cp*Rh-Based Heterometallic Metallarectangles: Size-Dependent Borromean Link Structures and Catalytic Acyl Transfer","Journal of the American Chemical Society","2013","135","","8125","8128","10.1021/ja402630g","","","1.54178","CuKα","","0.1273","0.0972","","","0.2704","0.301","","","","","","1.089","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119840","35.098","0.003","35.098","0.003","15.8896","0.0014","90","","90","","120","","16952","3","173","2","173","2","","","","","","","","8","P 63","P 6c","173","","","","- C73 H90 Cu2 F6 N10 O25.33 Rh4 S2 -","- C72 H86 Cu2 F3 N10 O22.3333 Rh4 S -","- C432 H516 Cu12 F18 N60 O134 Rh24 S6 -","6","1","","Sheng-Li Huang; Yue-Jian Lin; T. S. Andy Hor; Guo-Xin Jin","Cp*Rh-Based Heterometallic Metallarectangles: Size-Dependent Borromean Link Structures and Catalytic Acyl Transfer","Journal of the American Chemical Society","2013","135","","8125","8128","10.1021/ja402630g","","","0.71073","MoKα","","0.0831","0.0613","","","0.164","0.1788","","","","","","1.027","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119841","11.0061","0.001","16.7944","0.0015","30.67","0.003","90","","96.107","0.002","90","","5636.9","0.9","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C92 H118 Cu2 F12 N10 O34 Rh4 S4 -","- C88 H98 Cu2 N10 O22 Rh4 -","- C176 H196 Cu4 N20 O44 Rh8 -","2","0.5","","Sheng-Li Huang; Yue-Jian Lin; T. S. Andy Hor; Guo-Xin Jin","Cp*Rh-Based Heterometallic Metallarectangles: Size-Dependent Borromean Link Structures and Catalytic Acyl Transfer","Journal of the American Chemical Society","2013","135","","8125","8128","10.1021/ja402630g","","","0.71073","MoKα","","0.1155","0.0753","","","0.2089","0.2308","","","","","","1.038","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119842","9.3846","0.0003","9.3846","0.0003","10.7179","0.0007","90","","90","","120","","817.47","0.06","223","2","223","2","","","","","","","","4","P 31","P 31","144","","","","- C10 H9 Br O4 -","- C10 H9 Br O4 -","- C30 H27 Br3 O12 -","3","1","","Michael Wilking; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Ulrich Hennecke","Enantioselective, Desymmetrizing Bromolactonization of Alkynes","Journal of the American Chemical Society","2013","135","","8133","8136","10.1021/ja402910d","","","1.54178","CuKα","","0.0353","0.0334","","","0.0813","0.083","","","","","","1.071","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119843","8.2","0.016","17.1","0.03","21.72","0.04","90","","90","","90","","3046","10","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 F6 N2 Ni -","- C6 H6 F6 N2 Ni -","- C72 H72 F72 N24 Ni12 -","12","3","","Cheng-Pan Zhang; Huan Wang; Axel Klein; Christian Biewer; Kathrin Stirnat; Yoshitaka Yamaguchi; Long Xu; Valente Gomez-Benitez; David A. Vicic","A Five-Coordinate Nickel(II) Fluoroalkyl Complex as a Precursor to a Spectroscopically Detectable Ni(III) Species","Journal of the American Chemical Society","2013","135","","8141","8144","10.1021/ja4030462","","","0.71075","MoKα","","","0.1253","","","","0.4213","","","","","","1.048","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119844","8.015","0.008","13.092","0.013","19.236","0.019","90","","99.448","0.015","90","","1991","3","273","","273","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 F6 N2 Ni -","- C16 H15 F6 N3 Ni -","- C64 H60 F24 N12 Ni4 -","4","1","","Cheng-Pan Zhang; Huan Wang; Axel Klein; Christian Biewer; Kathrin Stirnat; Yoshitaka Yamaguchi; Long Xu; Valente Gomez-Benitez; David A. Vicic","A Five-Coordinate Nickel(II) Fluoroalkyl Complex as a Precursor to a Spectroscopically Detectable Ni(III) Species","Journal of the American Chemical Society","2013","135","","8141","8144","10.1021/ja4030462","","","0.71075","MoKα","","","0.1175","","","","0.3979","","","","","","1.084","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119845","10.6079","0.0003","19.1642","0.0005","18.4101","0.0005","90","","101.288","0.002","90","","3670.23","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H35 F10 N3 Ni -","- C38 H35 F10 N3 Ni -","- C152 H140 F40 N12 Ni4 -","4","1","","Cheng-Pan Zhang; Huan Wang; Axel Klein; Christian Biewer; Kathrin Stirnat; Yoshitaka Yamaguchi; Long Xu; Valente Gomez-Benitez; David A. Vicic","A Five-Coordinate Nickel(II) Fluoroalkyl Complex as a Precursor to a Spectroscopically Detectable Ni(III) Species","Journal of the American Chemical Society","2013","135","","8141","8144","10.1021/ja4030462","","","0.71073","MoKα","","0.0994","0.0706","","","0.1707","0.1907","","","","","","1.069","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119846","25.819","0.003","11.1285","0.0012","25.279","0.003","90","","98.476","0.003","90","","7184","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H87 F14 N9 Ni3 O -","- C68 H87 F14 N9 Ni3 O -","- C272 H348 F56 N36 Ni12 O4 -","4","1","","Cheng-Pan Zhang; Huan Wang; Axel Klein; Christian Biewer; Kathrin Stirnat; Yoshitaka Yamaguchi; Long Xu; Valente Gomez-Benitez; David A. Vicic","A Five-Coordinate Nickel(II) Fluoroalkyl Complex as a Precursor to a Spectroscopically Detectable Ni(III) Species","Journal of the American Chemical Society","2013","135","","8141","8144","10.1021/ja4030462","","","0.71073","MoKα","","0.1635","0.0767","","","0.1765","0.2135","","","","","","0.977","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119847","12.69","0.0012","15.1528","0.0012","33.412","0.002","90","","93.893","0.002","90","","6409.9","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 F9 N3 Ni O0.5 P -","- C30 H35 F9 N3 Ni O0.5 P -","- C240 H280 F72 N24 Ni8 O4 P8 -","8","2","","Cheng-Pan Zhang; Huan Wang; Axel Klein; Christian Biewer; Kathrin Stirnat; Yoshitaka Yamaguchi; Long Xu; Valente Gomez-Benitez; David A. Vicic","A Five-Coordinate Nickel(II) Fluoroalkyl Complex as a Precursor to a Spectroscopically Detectable Ni(III) Species","Journal of the American Chemical Society","2013","135","","8141","8144","10.1021/ja4030462","","","0.71073","MoKα","","0.1796","0.1136","","","0.3057","0.3392","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119848","13.3506","0.0002","13.27319","0.00012","24.3667","0.0003","90","","101.329","0.0014","90","","4233.77","0.09","110","0.1","110","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H43 Cl3 O3 Pd2 -","- C52 H43 Cl3 O3 Pd2 -","- C208 H172 Cl12 O12 Pd8 -","4","1","","Anant R. Kapdi; Adrian C. Whitwood; David C. Williamson; Jason M. Lynam; Michael J. Burns; Thomas J. Williams; Alan J. Reay; Jordan Holmes; Ian J. S. Fairlamb","The Elusive Structure of Pd2(dba)3. Examination by Isotopic Labeling, NMR Spectroscopy, and X-ray Diffraction Analysis: Synthesis and Characterization of Pd2(dba-Z)3 Complexes","Journal of the American Chemical Society","2013","135","","8388","8399","10.1021/ja403259c","","","0.7107","MoKα","","0.0464","0.0333","","","0.072","0.0796","","","","","","1.073","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119849","12.2214","0.0004","12.8052","0.0003","15.0153","0.0003","114.651","0.002","96.795","0.002","95.356","0.002","2094.03","0.1","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H44 Cl2 O3 Pd2 -","- C52 H44 Cl2 O3 Pd2 -","- C104 H88 Cl4 O6 Pd4 -","2","1","","Anant R. Kapdi; Adrian C. Whitwood; David C. Williamson; Jason M. Lynam; Michael J. Burns; Thomas J. Williams; Alan J. Reay; Jordan Holmes; Ian J. S. Fairlamb","The Elusive Structure of Pd2(dba)3. Examination by Isotopic Labeling, NMR Spectroscopy, and X-ray Diffraction Analysis: Synthesis and Characterization of Pd2(dba-Z)3 Complexes","Journal of the American Chemical Society","2013","135","","8388","8399","10.1021/ja403259c","","","0.7107","MoKα","","0.0531","0.0395","","","0.0907","0.1009","","","","","","1.086","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119850","13.613","0.0003","23.3621","0.0005","15.2236","0.0004","90","","114.397","0.003","90","","4409.2","0.2","109.95","0.1","109.95","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H48 O3 Pd2 -","- C57 H48 O3 Pd2 -","- C228 H192 O12 Pd8 -","4","1","","Anant R. Kapdi; Adrian C. Whitwood; David C. Williamson; Jason M. Lynam; Michael J. Burns; Thomas J. Williams; Alan J. Reay; Jordan Holmes; Ian J. S. Fairlamb","The Elusive Structure of Pd2(dba)3. Examination by Isotopic Labeling, NMR Spectroscopy, and X-ray Diffraction Analysis: Synthesis and Characterization of Pd2(dba-Z)3 Complexes","Journal of the American Chemical Society","2013","135","","8388","8399","10.1021/ja403259c","","","0.7107","MoKα","","0.0613","0.044","","","0.0953","0.1038","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","178969","2020-10-21","18:00:00",""
"4119851","5.5583","0.0005","12.3283","0.001","13.5536","0.0011","72.101","0.002","85.651","0.002","83.415","0.002","877.16","0.13","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C42 H44 O10 -","2","1","","Anant R. Kapdi; Adrian C. Whitwood; David C. Williamson; Jason M. Lynam; Michael J. Burns; Thomas J. Williams; Alan J. Reay; Jordan Holmes; Ian J. S. Fairlamb","The Elusive Structure of Pd2(dba)3. Examination by Isotopic Labeling, NMR Spectroscopy, and X-ray Diffraction Analysis: Synthesis and Characterization of Pd2(dba-Z)3 Complexes","Journal of the American Chemical Society","2013","135","","8388","8399","10.1021/ja403259c","","","0.71073","MoKα","","0.0632","0.0449","","","0.1162","0.1285","","","","","","1.037","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119852","15.6423","0.0012","23.0941","0.0017","16.1426","0.0012","90","","94.24","0.002","90","","5815.5","0.8","115","2","115","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H68 Cl2 O15 Pd2 -","- C64 H68 Cl2 O15 Pd2 -","- C256 H272 Cl8 O60 Pd8 -","4","1","","Anant R. Kapdi; Adrian C. Whitwood; David C. Williamson; Jason M. Lynam; Michael J. Burns; Thomas J. Williams; Alan J. Reay; Jordan Holmes; Ian J. S. Fairlamb","The Elusive Structure of Pd2(dba)3. Examination by Isotopic Labeling, NMR Spectroscopy, and X-ray Diffraction Analysis: Synthesis and Characterization of Pd2(dba-Z)3 Complexes","Journal of the American Chemical Society","2013","135","","8388","8399","10.1021/ja403259c","","","0.71073","MoKα","","0.0791","0.0527","","","0.1201","0.1352","","","","","","1.066","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119853","12.145","0.005","12.382","0.005","15.969","0.006","108.248","0.008","102.07","0.008","94.818","0.008","2201.2","1.5","115","2","115","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H38 Cl2 F6 O3 Pd2 -","- C52 H38 Cl2 F6 O3 Pd2 -","- C104 H76 Cl4 F12 O6 Pd4 -","2","1","","Anant R. Kapdi; Adrian C. Whitwood; David C. Williamson; Jason M. Lynam; Michael J. Burns; Thomas J. Williams; Alan J. Reay; Jordan Holmes; Ian J. S. Fairlamb","The Elusive Structure of Pd2(dba)3. Examination by Isotopic Labeling, NMR Spectroscopy, and X-ray Diffraction Analysis: Synthesis and Characterization of Pd2(dba-Z)3 Complexes","Journal of the American Chemical Society","2013","135","","8388","8399","10.1021/ja403259c","","","0.71073","MoKα","","0.101","0.0552","","","0.1195","0.1424","","","","","","1.021","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119854","13.2832","0.001","17.4986","0.0013","21.4602","0.0016","90","","107.099","0.002","90","","4767.7","0.6","115","2","115","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C57 H56 O10 Pd2 -","- C57 H56 O10 Pd2 -","- C228 H224 O40 Pd8 -","4","1","","Anant R. Kapdi; Adrian C. Whitwood; David C. Williamson; Jason M. Lynam; Michael J. Burns; Thomas J. Williams; Alan J. Reay; Jordan Holmes; Ian J. S. Fairlamb","The Elusive Structure of Pd2(dba)3. Examination by Isotopic Labeling, NMR Spectroscopy, and X-ray Diffraction Analysis: Synthesis and Characterization of Pd2(dba-Z)3 Complexes","Journal of the American Chemical Society","2013","135","","8388","8399","10.1021/ja403259c","","","0.71073","MoKα","","0.0944","0.0497","","","0.1032","0.1183","","","","","","1.025","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119855","8.9055","0.0012","9.8677","0.0011","14.8112","0.0017","90","","107.445","0.004","90","","1241.7","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 F3 O5 S -","- C10 H15 F3 O5 S -","- C40 H60 F12 O20 S4 -","4","1","","Gorkem Gunbas; William L. Sheppard; James C. Fettinger; Marilyn M. Olmstead; Mark Mascal","Extreme Oxatriquinanes: Structural Characterization of α-Oxyoxonium Species with Extraordinarily Long Carbon-Oxygen Bonds","Journal of the American Chemical Society","2013","135","","8173","8176","10.1021/ja4032715","","","1.54178","CuKα","","0.036","0.0356","","","0.0906","0.0911","","","","","","1.116","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119856","10.6856","0.0016","9.2801","0.0014","13.1754","0.0019","90","","96.01","0.002","90","","1299.3","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 F3 O5 S -","- C11 H17 F3 O5 S -","- C44 H68 F12 O20 S4 -","4","1","","Gorkem Gunbas; William L. Sheppard; James C. Fettinger; Marilyn M. Olmstead; Mark Mascal","Extreme Oxatriquinanes: Structural Characterization of α-Oxyoxonium Species with Extraordinarily Long Carbon-Oxygen Bonds","Journal of the American Chemical Society","2013","135","","8173","8176","10.1021/ja4032715","","","0.71073","MoKα","","0.063","0.0403","","","0.086","0.0953","","","","","","1.105","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119857","20.1958","0.0009","20.5403","0.001","18.1628","0.0009","90","","96.318","0.003","90","","7488.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Complex 2a","","","- C40 H55 F3 N3 Nb -","- C40 H55 F3 N3 Nb -","- C320 H440 F24 N24 Nb8 -","8","2","","Thomas L. Gianetti; Robert G. Bergman; John Arnold","Dis-assembly of a Benzylic CF3 Group Mediated by a Niobium(III) Imido Complex","Journal of the American Chemical Society","2013","135","","8145","8148","10.1021/ja4033007","","","0.71073","MoKα","","0.0604","0.04","","","0.0951","0.1053","","","","","","1.029","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119858","20.971","0.0016","16.6536","0.0013","22.7371","0.0017","90","","90","","90","","7940.8","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Complex 2b","","","- C41 H54 F6 N3 Nb -","- C41 H54 F6 N3 Nb -","- C328 H432 F48 N24 Nb8 -","8","1","","Thomas L. Gianetti; Robert G. Bergman; John Arnold","Dis-assembly of a Benzylic CF3 Group Mediated by a Niobium(III) Imido Complex","Journal of the American Chemical Society","2013","135","","8145","8148","10.1021/ja4033007","","","0.71073","MoKα","","0.0307","0.0263","","","0.0611","0.0651","","","","","","1.074","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119859","9.2011","0.0004","18.8526","0.0009","9.5779","0.0004","90","","111.256","0.002","90","","1548.4","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Complex 3","","","- C33 H48 N3 Nb -","- C33 H48 N3 Nb -","- C66 H96 N6 Nb2 -","2","1","","Thomas L. Gianetti; Robert G. Bergman; John Arnold","Dis-assembly of a Benzylic CF3 Group Mediated by a Niobium(III) Imido Complex","Journal of the American Chemical Society","2013","135","","8145","8148","10.1021/ja4033007","","","0.71073","MoKα","","0.0355","0.0312","","","0.0708","0.0733","","","","","","1.025","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119860","17.7537","0.0015","19.0483","0.0016","11.5495","0.0009","90","","120.096","0.001","90","","3379.2","0.5","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Complex 4","","","- C66 H102 N6 Nb2 -","- C66 H96 N6 Nb2 -","- C132 H192 N12 Nb4 -","2","0.25","","Thomas L. Gianetti; Robert G. Bergman; John Arnold","Dis-assembly of a Benzylic CF3 Group Mediated by a Niobium(III) Imido Complex","Journal of the American Chemical Society","2013","135","","8145","8148","10.1021/ja4033007","","","0.71073","MoKα","","0.0253","0.0244","","","0.0668","0.0675","","","","","","1.07","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119861","10.933","0.002","21.235","0.004","18.601","0.003","90","","101.37","0.003","90","","4233.7","1.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H68 N7 Sc Si -","- C40 H68 N7 Sc Si -","- C160 H272 N28 Sc4 Si4 -","4","1","","Jiaxiang Chu; Christos E. Kefalidis; Laurent Maron; Xuebing Leng; Yaofeng Chen","Chameleon Behavior of a Newly Synthesized Scandium Nitrilimine Derivative","Journal of the American Chemical Society","2013","135","","8165","8168","10.1021/ja403387v","","","0.71073","MoKα","","0.1224","0.0719","","","0.1791","0.2134","","","","","","0.916","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119862","9.8473","0.001","21.416","0.002","23.359","0.003","90","","95.307","0.002","90","","4905.1","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H74 N7 O Sc Si -","- C47 H74 N7 O Sc Si -","- C188 H296 N28 O4 Sc4 Si4 -","4","1","","Jiaxiang Chu; Christos E. Kefalidis; Laurent Maron; Xuebing Leng; Yaofeng Chen","Chameleon Behavior of a Newly Synthesized Scandium Nitrilimine Derivative","Journal of the American Chemical Society","2013","135","","8165","8168","10.1021/ja403387v","","","0.71073","MoKα","","0.1041","0.0511","","","0.1226","0.1473","","","","","","1.012","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119863","10.673","0.002","33.23","0.007","14.249","0.003","90","","111.753","0.003","90","","4693.7","1.7","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H72 N7 O Sc Si -","- C44 H72 N7 O Sc Si -","- C176 H288 N28 O4 Sc4 Si4 -","4","1","","Jiaxiang Chu; Christos E. Kefalidis; Laurent Maron; Xuebing Leng; Yaofeng Chen","Chameleon Behavior of a Newly Synthesized Scandium Nitrilimine Derivative","Journal of the American Chemical Society","2013","135","","8165","8168","10.1021/ja403387v","","","0.71073","MoKα","","0.1637","0.0635","","","0.0965","0.1191","","","","","","0.96","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119864","9.342","0.003","13.128","0.004","20.113","0.006","86.914","0.005","81.086","0.005","82.425","0.005","2414.2","1.3","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H76 N7 Sc Si -","- C49 H76 N7 Sc Si -","- C98 H152 N14 Sc2 Si2 -","2","1","","Jiaxiang Chu; Christos E. Kefalidis; Laurent Maron; Xuebing Leng; Yaofeng Chen","Chameleon Behavior of a Newly Synthesized Scandium Nitrilimine Derivative","Journal of the American Chemical Society","2013","135","","8165","8168","10.1021/ja403387v","","","0.71073","MoKα","","0.1019","0.0682","","","0.1869","0.2125","","","","","","1.012","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119865","12.5276","0.0011","19.4363","0.0018","24.043","0.002","90","","91.082","0.002","90","","5853.2","0.9","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H94 N8 Sc Si -","- C56 H94 N8 Sc Si -","- C224 H376 N32 Sc4 Si4 -","4","1","","Jiaxiang Chu; Christos E. Kefalidis; Laurent Maron; Xuebing Leng; Yaofeng Chen","Chameleon Behavior of a Newly Synthesized Scandium Nitrilimine Derivative","Journal of the American Chemical Society","2013","135","","8165","8168","10.1021/ja403387v","","","0.71073","MoKα","","0.1056","0.069","","","0.1895","0.218","","","","","","1.01","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119866","12.2682","0.0013","12.3135","0.0013","18.995","0.002","85.338","0.002","75.162","0.002","72.93","0.002","2651.5","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H77 N9 Sc Si -","- C53 H77 N9 Sc Si -","- C106 H154 N18 Sc2 Si2 -","2","1","","Jiaxiang Chu; Christos E. Kefalidis; Laurent Maron; Xuebing Leng; Yaofeng Chen","Chameleon Behavior of a Newly Synthesized Scandium Nitrilimine Derivative","Journal of the American Chemical Society","2013","135","","8165","8168","10.1021/ja403387v","","","0.71073","MoKα","","0.1071","0.0538","","","0.1336","0.1626","","","","","","0.993","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119867","12.1133","0.0013","18.69","0.002","24.395","0.003","90","","96.219","0.002","90","","5490.5","1.1","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H73 N8 S Sc Si -","- C47 H73 N8 S Sc Si -","- C188 H292 N32 S4 Sc4 Si4 -","4","1","","Jiaxiang Chu; Christos E. Kefalidis; Laurent Maron; Xuebing Leng; Yaofeng Chen","Chameleon Behavior of a Newly Synthesized Scandium Nitrilimine Derivative","Journal of the American Chemical Society","2013","135","","8165","8168","10.1021/ja403387v","","","0.71073","MoKα","","0.0944","0.0606","","","0.1603","0.1763","","","","","","1.024","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119868","14.7364","0.0019","20.007","0.003","20.563","0.003","91.276","0.002","105.32","0.002","98.937","0.002","5763.4","1.4","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H76 N9 O2 Sc Si -","- C49 H76 N9 O2 Sc Si -","- C196 H304 N36 O8 Sc4 Si4 -","4","2","","Jiaxiang Chu; Christos E. Kefalidis; Laurent Maron; Xuebing Leng; Yaofeng Chen","Chameleon Behavior of a Newly Synthesized Scandium Nitrilimine Derivative","Journal of the American Chemical Society","2013","135","","8165","8168","10.1021/ja403387v","","","0.71073","MoKα","","0.1312","0.0745","","","0.1933","0.2219","","","","","","1.043","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119869","26.8784","0.0009","26.8784","0.0009","15.4839","0.0005","90","","90","","120","","9687.6","0.6","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","Mn2(DSBDC)","","","- C7.33 H8.78 Mn N1.11 O3.31 S -","- C7.34 H8.68 Mn N1.17 O3.295 S -","- C264.24 H312.48 Mn36 N42.12 O118.62 S36 -","36","1","","Lei Sun; Tomoyo Miyakai; Shu Seki; Mircea Dincă","Mn2(2,5-disulfhydrylbenzene-1,4-dicarboxylate): A Microporous Metal-Organic Framework with Infinite (-Mn-S-)\ιnftyChains and High Intrinsic Charge Mobility","Journal of the American Chemical Society","2013","135","","8185","8188","10.1021/ja4037516","","","0.71073","MoKα","","0.0351","0.0313","","","0.1019","0.1049","","","","","","1.126","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119870","18.767","0.005","7.5444","0.0019","16.488","0.004","90","","106.007","0.003","90","","2244","1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Fe N4 O3 -","- C22 H26 Fe N4 O3 -","- C88 H104 Fe4 N16 O12 -","4","1","","Randara Pulukkody; Samuel J. Kyran; Ryan D. Bethel; Chung-Hung Hsieh; Michael B. Hall; Donald J. Darensbourg; Marcetta Y. Darensbourg","Carbon Monoxide Induced Reductive Elimination of Disulfide in an N-Heterocyclic Carbene (NHC)/ Thiolate Dinitrosyl Iron Complex (DNIC)","Journal of the American Chemical Society","2013","135","","8423","8430","10.1021/ja403916v","","","0.71073","MoKα","","0.0515","0.0389","","","0.0994","0.1069","","","","","","1.044","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119871","16.241","0.004","8.1981","0.0019","22.138","0.005","90","","92.64","0.009","90","","2944.4","1.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H72 Fe2 N8 O5 S2 -","- C58 H72 Fe2 N8 O5 S2 -","- C116 H144 Fe4 N16 O10 S4 -","2","0.5","","Randara Pulukkody; Samuel J. Kyran; Ryan D. Bethel; Chung-Hung Hsieh; Michael B. Hall; Donald J. Darensbourg; Marcetta Y. Darensbourg","Carbon Monoxide Induced Reductive Elimination of Disulfide in an N-Heterocyclic Carbene (NHC)/ Thiolate Dinitrosyl Iron Complex (DNIC)","Journal of the American Chemical Society","2013","135","","8423","8430","10.1021/ja403916v","","","0.71073","MoKα","","0.0995","0.0589","","","0.1573","0.1956","","","","","","1.066","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119872","14.3605","0.0009","33.178","0.002","14.9816","0.0009","90","","106.724","0.002","90","","6836.1","0.7","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H38 Au2 Cl4 O2.66667 P2 -","- C45 H38 Au2 Cl4 O2.66667 P2 -","- C270 H228 Au12 Cl24 O16 P12 -","6","3","","Zhong-Yan Cao; Xiaoming Wang; Chen Tan; Xiao-Li Zhao; Jian Zhou; Kuiling Ding","Highly Stereoselective Olefin Cyclopropanation of Diazooxindoles Catalyzed by a C2-Symmetric Spiroketal Bisphosphine/Au(I) Complex","Journal of the American Chemical Society","2013","135","","8197","8200","10.1021/ja4040895","","","0.71073","MoKα","","0.0744","0.0492","","","0.1047","0.1158","","","","","","1.048","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119873","9.4359","0.0013","7.5627","0.0011","27.646","0.004","90","","97.115","0.004","90","","1957.7","0.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H16 Br N O3 S -","- C23 H16 Br N O3 S -","- C92 H64 Br4 N4 O12 S4 -","4","2","","Zhong-Yan Cao; Xiaoming Wang; Chen Tan; Xiao-Li Zhao; Jian Zhou; Kuiling Ding","Highly Stereoselective Olefin Cyclopropanation of Diazooxindoles Catalyzed by a C2-Symmetric Spiroketal Bisphosphine/Au(I) Complex","Journal of the American Chemical Society","2013","135","","8197","8200","10.1021/ja4040895","","","0.71073","MoKα","","0.1114","0.0965","","","0.2647","0.2746","","","","","","1.123","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119874","11.2515","0.0005","12.1303","0.0006","16.1131","0.0008","90","","90","","90","","2199.18","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O6 S -","- C24 H20 N2 O6 S -","- C96 H80 N8 O24 S4 -","4","1","","Zhong-Yan Cao; Xiaoming Wang; Chen Tan; Xiao-Li Zhao; Jian Zhou; Kuiling Ding","Highly Stereoselective Olefin Cyclopropanation of Diazooxindoles Catalyzed by a C2-Symmetric Spiroketal Bisphosphine/Au(I) Complex","Journal of the American Chemical Society","2013","135","","8197","8200","10.1021/ja4040895","","","0.71073","MoKα","","0.0511","0.0373","","","0.0873","0.0955","","","","","","1.056","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119875","11.1217","0.0004","8.7843","0.0004","11.5453","0.0008","90","","112.876","0.008","90","","1039.22","0.11","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Br2 N2 O4 -","- C20 H20 Br2 N2 O4 -","- C40 H40 Br4 N4 O8 -","2","1","","Chaosheng Luo; Yong Huang","A Highly Diastereo- and Enantioselective Synthesis of Tetrahydroquinolines: Quaternary Stereogenic Center Inversion and Functionalization","Journal of the American Chemical Society","2013","135","","8193","8196","10.1021/ja4040945","","","1.54187","CuKα","","0.0391","0.0318","","","0.0712","0.102","","","","","","1.148","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119876","10.5847","0.0007","19.1965","0.0003","10.5551","0.0007","90","","97.888","0.007","90","","2124.4","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C88 H104 N8 O24 -","4","1","","Chaosheng Luo; Yong Huang","A Highly Diastereo- and Enantioselective Synthesis of Tetrahydroquinolines: Quaternary Stereogenic Center Inversion and Functionalization","Journal of the American Chemical Society","2013","135","","8193","8196","10.1021/ja4040945","","","1.54187","CuKα","","0.0572","0.0441","","","0.1305","0.1707","","","","","","1.05","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119877","8.5441","0.0017","14.75","0.004","32.006","0.007","90","","90","","90","","4033.6","1.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C176 H208 N16 O48 -","8","1","","Chaosheng Luo; Yong Huang","A Highly Diastereo- and Enantioselective Synthesis of Tetrahydroquinolines: Quaternary Stereogenic Center Inversion and Functionalization","Journal of the American Chemical Society","2013","135","","8193","8196","10.1021/ja4040945","","","1.54187","CuKα","","0.0962","0.0653","","","0.1474","0.2077","","","","","","1.738","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119878","23.1051","0.0004","9.133","0.0002","18.7882","0.0013","90","","91.64","0.011","90","","3963","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C168 H176 N16 O40 -","8","1","","Chaosheng Luo; Yong Huang","A Highly Diastereo- and Enantioselective Synthesis of Tetrahydroquinolines: Quaternary Stereogenic Center Inversion and Functionalization","Journal of the American Chemical Society","2013","135","","8193","8196","10.1021/ja4040945","","","1.54178","CuKα","","0.0507","0.0412","","","0.1133","0.1204","","","","","","1.005","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119879","12.7403","0.0005","25.8323","0.001","12.1352","0.0005","90","","90","","90","","3993.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22 H19 Br N2 O3 -","- C22 H19 Br N2 O3 -","- C176 H152 Br8 N16 O24 -","8","2","","Jeremy M. John; Satoshi Takebayashi; Nupur Dabral; Mark Miskolzie; Steven H. Bergens","Base-Catalyzed Bifunctional Addition to Amides and Imides at Low Temperature. A New Pathway for Carbonyl Hydrogenation","Journal of the American Chemical Society","2013","135","","8578","8584","10.1021/ja401294q","","","0.71073","MoKα","","0.0423","0.0354","","","0.0887","0.0921","","","","","","1.028","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119880","14.7311","0.0019","9.9389","0.0011","18.389","0.002","90","","98.05","0.0018","90","","2665.8","0.5","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cl2 Fe N6 O9 -","- C22 H26 Cl2 Fe N6 O9 -","- C88 H104 Cl8 Fe4 N24 O36 -","4","1","","Takeshi Matsumoto; Ho-Chol Chang; Masanori Wakizaka; Sho Ueno; Atsushi Kobayashi; Akira Nakayama; Tetsuya Taketsugu; Masako Kato","Nonprecious-Metal-Assisted Photochemical Hydrogen Production from ortho-Phenylenediamine","Journal of the American Chemical Society","2013","135","","8646","8654","10.1021/ja4025116","","","0.71075","MoKα","","","0.0652","","","","0.1761","","","","","","1.126","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119881","17.849","0.002","8.3097","0.0009","18.998","0.002","90","","100.526","0.0015","90","","2770.4","0.5","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Cl2 Fe N6 O9 -","- C22 H32 Cl2 Fe N6 O9 -","- C88 H128 Cl8 Fe4 N24 O36 -","4","1","","Takeshi Matsumoto; Ho-Chol Chang; Masanori Wakizaka; Sho Ueno; Atsushi Kobayashi; Akira Nakayama; Tetsuya Taketsugu; Masako Kato","Nonprecious-Metal-Assisted Photochemical Hydrogen Production from ortho-Phenylenediamine","Journal of the American Chemical Society","2013","135","","8646","8654","10.1021/ja4025116","","","0.71075","MoKα","","","0.0566","","","","0.1533","","","","","","1.125","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119882","11.7115","0.0004","31.9453","0.0007","9.5068","0.0003","90","","109.821","0.004","90","","3346.04","0.19","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Br2 Cr Fe Mn N4 O14 -","- C27 H26 Br2 Cr Fe Mn N4 O14 -","- C108 H104 Br8 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh; Cédric Desplanches; Hongfeng Wang; Jean-François Létard; Andreas Hauser; Antoine Tissot","Stimuli Responsive Hybrid Magnets: Tuning the Photoinduced Spin-Crossover in Fe(III) Complexes Inserted into Layered Magnets","Journal of the American Chemical Society","2013","135","","8655","8667","10.1021/ja402674x","","","0.71073","MoKα","","0.0753","0.0545","","","0.1031","0.1098","","","","","","1.176","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119883","12.1735","0.0006","32.3048","0.0009","9.4392","0.0004","90","","111.274","0.005","90","","3459.1","0.3","300","2","300","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Br2 Cr Fe Mn N4 O14 -","- C27 H26 Br2 Cr Fe Mn N4 O14 -","- C108 H104 Br8 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh; Cédric Desplanches; Hongfeng Wang; Jean-François Létard; Andreas Hauser; Antoine Tissot","Stimuli Responsive Hybrid Magnets: Tuning the Photoinduced Spin-Crossover in Fe(III) Complexes Inserted into Layered Magnets","Journal of the American Chemical Society","2013","135","","8655","8667","10.1021/ja402674x","","","0.71073","MoKα","","0.1724","0.0794","","","0.185","0.2291","","","","","","1.025","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119884","11.9224","0.0005","31.8487","0.0008","9.6032","0.0003","90","","110.582","0.004","90","","3413.7","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Br3 Cr Fe Mn N4 O14 -","- C27 H25 Br3 Cr Fe Mn N4 O14 -","- C108 H100 Br12 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh; Cédric Desplanches; Hongfeng Wang; Jean-François Létard; Andreas Hauser; Antoine Tissot","Stimuli Responsive Hybrid Magnets: Tuning the Photoinduced Spin-Crossover in Fe(III) Complexes Inserted into Layered Magnets","Journal of the American Chemical Society","2013","135","","8655","8667","10.1021/ja402674x","","","0.71073","MoKα","","0.0957","0.0608","","","0.127","0.1425","","","","","","1.061","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119885","12.2769","0.0004","32.0813","0.0008","9.5335","0.0003","90","","110.849","0.004","90","","3509","0.2","300","2","300","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Br3 Cr Fe Mn N4 O14 -","- C27 H25 Br3 Cr Fe Mn N4 O14 -","- C108 H100 Br12 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh; Cédric Desplanches; Hongfeng Wang; Jean-François Létard; Andreas Hauser; Antoine Tissot","Stimuli Responsive Hybrid Magnets: Tuning the Photoinduced Spin-Crossover in Fe(III) Complexes Inserted into Layered Magnets","Journal of the American Chemical Society","2013","135","","8655","8667","10.1021/ja402674x","","","0.71073","MoKα","","0.1312","0.0649","","","0.141","0.1701","","","","","","1.03","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119886","11.7374","0.0014","31.67","0.003","9.58","0.0009","90","","111.136","0.012","90","","3321.5","0.7","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Cl3 Cr Fe Mn N4 O14 -","- C27 H25 Cl3 Cr Fe Mn N4 O14 -","- C108 H100 Cl12 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh; Cédric Desplanches; Hongfeng Wang; Jean-François Létard; Andreas Hauser; Antoine Tissot","Stimuli Responsive Hybrid Magnets: Tuning the Photoinduced Spin-Crossover in Fe(III) Complexes Inserted into Layered Magnets","Journal of the American Chemical Society","2013","135","","8655","8667","10.1021/ja402674x","","","0.7107","MoKα","","0.1589","0.0481","","","0.0701","0.0813","","","","","","0.638","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119887","12.1519","0.0017","31.939","0.004","9.4867","0.0012","90","","111.48","0.015","90","","3426.2","0.9","300","2","300","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Cl3 Cr Fe Mn N4 O14 -","- C27 H25 Cl3 Cr Fe Mn N4 O14 -","- C108 H100 Cl12 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh; Cédric Desplanches; Hongfeng Wang; Jean-François Létard; Andreas Hauser; Antoine Tissot","Stimuli Responsive Hybrid Magnets: Tuning the Photoinduced Spin-Crossover in Fe(III) Complexes Inserted into Layered Magnets","Journal of the American Chemical Society","2013","135","","8655","8667","10.1021/ja402674x","","","0.7107","MoKα","","0.2675","0.051","","","0.0869","0.1078","","","","","","0.577","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119888","11.6634","0.0006","31.4028","0.0011","9.327","0.0004","90","","109.747","0.005","90","","3215.2","0.3","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cr Fe N4 O14 Zn -","- C27 H26 Cl2 Cr Fe N4 O14 Zn -","- C108 H104 Cl8 Cr4 Fe4 N16 O56 Zn4 -","4","1","","Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh; Cédric Desplanches; Hongfeng Wang; Jean-François Létard; Andreas Hauser; Antoine Tissot","Stimuli Responsive Hybrid Magnets: Tuning the Photoinduced Spin-Crossover in Fe(III) Complexes Inserted into Layered Magnets","Journal of the American Chemical Society","2013","135","","8655","8667","10.1021/ja402674x","","","0.71073","","","0.1825","0.0493","","","0.0729","0.0867","","","","","","0.665","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119889","12.0528","0.0009","32.1554","0.0015","9.4707","0.0006","90","","112.297","0.008","90","","3396","0.4","273","2","273","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cr Ga Mn N4 O14 -","- C27 H26 Cl2 Cr Ga Mn N4 O14 -","- C108 H104 Cl8 Cr4 Ga4 Mn4 N16 O56 -","4","1","","Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh; Cédric Desplanches; Hongfeng Wang; Jean-François Létard; Andreas Hauser; Antoine Tissot","Stimuli Responsive Hybrid Magnets: Tuning the Photoinduced Spin-Crossover in Fe(III) Complexes Inserted into Layered Magnets","Journal of the American Chemical Society","2013","135","","8655","8667","10.1021/ja402674x","","","1.5418","CuKα","","0.1088","0.0709","","","0.1855","0.2248","","","","","","1.074","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119890","17.7545","0.0017","9.4067","0.0009","19.5299","0.0018","90","","109.827","0.001","90","","3068.4","0.5","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Co N P2 Si -","- C32 H39 Co N P2 Si -","- C128 H156 Co4 N4 P8 Si4 -","4","1","","Guoqi Zhang; Kalyan V. Vasudevan; Brian L. Scott; Susan K. Hanson","Understanding the Mechanisms of Cobalt-Catalyzed Hydrogenation and Dehydrogenation Reactions","Journal of the American Chemical Society","2013","135","","8668","8681","10.1021/ja402679a","","","0.71073","MoKα","","0.0516","0.0343","","","0.0717","0.0766","","","","","","1.234","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119891","13.1867","0.0007","15.8001","0.0009","18.064","0.001","79.928","0.001","85.342","0.001","86.503","0.001","3689.2","0.4","140","1","140","1","","","","","","","","8","P -1","-P 1","2","","","","- C72 H82 B Co F24 N O2 P2 -","- C72 H82 B Co F24 N O2 P2 -","- C144 H164 B2 Co2 F48 N2 O4 P4 -","2","1","","Guoqi Zhang; Kalyan V. Vasudevan; Brian L. Scott; Susan K. Hanson","Understanding the Mechanisms of Cobalt-Catalyzed Hydrogenation and Dehydrogenation Reactions","Journal of the American Chemical Society","2013","135","","8668","8681","10.1021/ja402679a","","","0.71073","MoKα","","0.0909","0.0669","","","0.2174","0.2448","","","","","","1.145","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119892","13.3551","0.0012","28.907","0.003","14.9499","0.0013","90","","95.052","0.001","90","","5749.1","0.9","120","1","120","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60 H92 B Co N O P2 Si -","- C60 H92 B Co N O P2 Si -","- C240 H368 B4 Co4 N4 O4 P8 Si4 -","4","1","","Guoqi Zhang; Kalyan V. Vasudevan; Brian L. Scott; Susan K. Hanson","Understanding the Mechanisms of Cobalt-Catalyzed Hydrogenation and Dehydrogenation Reactions","Journal of the American Chemical Society","2013","135","","8668","8681","10.1021/ja402679a","","","0.71073","MoKα","","0.1065","0.0495","","","0.0914","0.1102","","","","","","1.012","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119893","13.4956","0.0009","15.1512","0.0011","18.5335","0.0013","89.92","0.001","89.466","0.001","79.302","0.001","3723.6","0.5","120","1","120","1","","","","","","","","9","P -1","-P 1","2","","","","- C77 H106 B Co F24 N O P2 Si -","- C65 H78 B Co F24 N P2 Si -","- C130 H156 B2 Co2 F48 N2 P4 Si2 -","2","1","","Guoqi Zhang; Kalyan V. Vasudevan; Brian L. Scott; Susan K. Hanson","Understanding the Mechanisms of Cobalt-Catalyzed Hydrogenation and Dehydrogenation Reactions","Journal of the American Chemical Society","2013","135","","8668","8681","10.1021/ja402679a","","","0.71073","MoKα","","0.0819","0.0566","","","0.1471","0.1579","","","","","","1.122","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119894","16.4488","0.001","21.9312","0.0014","20.4269","0.0013","90","","107.596","0.001","90","","7024.1","0.8","140","1","140","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C69 H75 B Co F24 N O2 P2 -","- C69 H75 B Co F24 N O2 P2 -","- C276 H300 B4 Co4 F96 N4 O8 P8 -","4","1","","Guoqi Zhang; Kalyan V. Vasudevan; Brian L. Scott; Susan K. Hanson","Understanding the Mechanisms of Cobalt-Catalyzed Hydrogenation and Dehydrogenation Reactions","Journal of the American Chemical Society","2013","135","","8668","8681","10.1021/ja402679a","","","0.71073","MoKα","","0.1128","0.0701","","","0.1816","0.2036","","","","","","1.336","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119895","7.472","0.0006","11.818","0.0009","12.487","0.0009","98.147","0.003","94.312","0.003","91.124","0.004","1087.92","0.14","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H31 B2 Cl2 P -","- C21 H31 B2 Cl2 P -","- C42 H62 B4 Cl4 P2 -","2","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0498","0.0409","","","0.1113","0.1175","","","","","","1.036","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119896","7.6981","0.0004","11.697","0.0006","24.5559","0.0013","90","","93.652","0.002","90","","2206.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 B2 Br2 P -","- C21 H31 B2 Br2 P -","- C84 H124 B8 Br8 P4 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0238","0.0207","","","0.0519","0.0533","","","","","","1.069","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119897","7.5412","0.0006","15.1166","0.0012","21.87","0.0017","90","","96.82","0.003","90","","2475.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 B2 Cl2 P -","- C24 H37 B2 Cl2 P -","- C96 H148 B8 Cl8 P4 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0383","0.035","","","0.0914","0.0937","","","","","","1.124","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119898","20.1704","0.0013","7.987","0.0005","18.0753","0.0011","90","","93.642","0.003","90","","2906.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 B2 I2 P -","- C27 H40 B2 I2 P -","- C108 H160 B8 I8 P4 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0153","0.0139","","","0.0339","0.0347","","","","","","1.064","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119899","14.5349","0.0009","24.6884","0.0016","18.355","0.0013","90","","110.514","0.004","90","","6168.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H47 B2 Cl2 P -","- C31 H47 B2 Cl2 P -","- C248 H376 B16 Cl16 P8 -","8","2","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.1365","0.057","","","0.1002","0.1234","","","","","","0.987","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119900","10.837","0.002","16.842","0.004","21.473","0.005","90","","93.134","0.003","90","","3913.3","1.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H47 B2 I2 P -","- C31 H47 B2 I2 P -","- C124 H188 B8 I8 P4 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0562","0.0444","","","0.1129","0.1178","","","","","","1.038","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119901","9.7256","0.0003","15.195","0.0005","24.2696","0.0006","90","","97.293","0.001","90","","3557.56","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H48 B2 Br2 N2 -","- C39 H48 B2 Br2 N2 -","- C156 H192 B8 Br8 N8 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0455","0.034","","","0.0864","0.0909","","","","","","1.063","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119902","14.7943","0.0011","14.7283","0.001","22.0276","0.0016","90","","107.558","0.002","90","","4576.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H64 B2 Cl2 N2 -","- C51 H64 B2 Cl2 N2 -","- C204 H256 B8 Cl8 N8 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0557","0.0397","","","0.0957","0.105","","","","","","1.013","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119903","10.7756","0.0006","12.166","0.0007","25.4888","0.0016","90","","90","","90","","3341.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H28 B Cl N2 -","- C15 H28 B Cl N2 -","- C120 H224 B8 Cl8 N16 -","8","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0565","0.0403","","","0.094","0.1013","","","","","","1.05","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119904","8.7992","0.0004","9.5148","0.0004","18.5325","0.0008","85.94","0.002","83.883","0.002","73.309","0.002","1476.44","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H41 B2 Br2 N4 -","- C28 H41 B2 Br2 N4 -","- C56 H82 B4 Br4 N8 -","2","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0368","0.0283","","","0.0696","0.0721","","","","","","1.021","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119905","10.6029","0.0007","21.0437","0.0013","17.0241","0.001","90","","106.973","0.002","90","","3633","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 B2 Br2 Cl2 N4 -","- C32 H50 B2 Br2 Cl2 N4 -","- C128 H200 B8 Br8 Cl8 N16 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0415","0.0291","","","0.0674","0.072","","","","","","1.038","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119906","15.7368","0.0008","7.9214","0.0004","16.2537","0.0009","90","","112.118","0.002","90","","1877.04","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H33 B2 Cl2 P -","- C14 H33 B2 Cl2 P -","- C56 H132 B8 Cl8 P4 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0678","0.0538","","","0.1308","0.1425","","","","","","1.04","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119907","55.225","0.011","62.596","0.012","80.209","0.016","90","","90","","90","","277272","9","223","2","223","1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C773 H1132 Cd48 N48 Nd16 O362 -","- C773 H1132 Cd48 N48 Nd16 O362 -","- C6184 H9056 Cd384 N384 Nd128 O2896 -","8","0.25","","Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang","Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures","Journal of the American Chemical Society","2013","135","","8468","8471","10.1021/ja4031243","","","0.710747","MoKα","","0.1622","0.0867","","","0.2167","0.2892","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119908","55.136","0.011","62.366","0.013","80.089","0.016","90","","90","","90","","275395","10","223","2","223","1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C749 H1035 Cd48 Gd16 N48 O336 -","- C749 H1035 Cd48 Gd16 N48 O336 -","- C5992 H8280 Cd384 Gd128 N384 O2688 -","8","0.25","","Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang","Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures","Journal of the American Chemical Society","2013","135","","8468","8471","10.1021/ja4031243","","","0.710747","MoKα","","0.2186","0.0989","","","0.2384","0.2871","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119909","54.829","0.011","61.684","0.012","79.609","0.016","90","","90","","90","","269243","9","223","2","223","1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C778 H1159 Cd48 Er16 N48 O382 -","- C778 H1159 Cd48 Er16 N48 O382 -","- C6224 H9272 Cd384 Er128 N384 O3056 -","8","0.25","","Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang","Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures","Journal of the American Chemical Society","2013","135","","8468","8471","10.1021/ja4031243","","","0.710747","MoKα","","0.2085","0.0952","","","0.2504","0.2972","","","","","","1.171","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119910","54.549","0.011","61.511","0.012","79.622","0.016","90","","90","","90","","267161","9","223","2","223","1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C770 H1144 Cd48 N48 O360 Yb16 -","- C770 H1144 Cd48 N48 O360 Yb16 -","- C6160 H9152 Cd384 N384 O2880 Yb128 -","8","0.25","","Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang","Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures","Journal of the American Chemical Society","2013","135","","8468","8471","10.1021/ja4031243","","","0.710747","MoKα","","0.1399","0.079","","","0.2089","0.2945","","","","","","1.177","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119911","51.623","0.007","51.623","0.007","24.455","0.005","90","","90","","120","","56440","16","223","2","223","1","","","","","","","","7","P -3","-P 3","147","","","","- C254 H317 Cd18 Cl8 N18 Nd6 O92 -","- C254 H317 Cd18 Cl8 N18 Nd6 O92 -","- C1524 H1902 Cd108 Cl48 N108 Nd36 O552 -","6","1","","Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang","Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures","Journal of the American Chemical Society","2013","135","","8468","8471","10.1021/ja4031243","","","0.710747","MoKα","","0.152","0.0808","","","0.1926","0.2268","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119912","51.282","0.007","51.282","0.007","24.391","0.005","90","","90","","120","","55551","16","223","2","223","1","","","","","","","","7","P -3","-P 3","147","","","","- C254 H317 Cd18 Cl8 Gd6 N18 O92 -","- C254 H317 Cd18 Cl8 Gd6 N18 O92 -","- C1524 H1902 Cd108 Cl48 Gd36 N108 O552 -","6","1","","Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang","Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures","Journal of the American Chemical Society","2013","135","","8468","8471","10.1021/ja4031243","","","0.710747","MoKα","","0.1026","0.0674","","","0.1765","0.1926","","","","","","1.102","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119913","42.031","0.008","22.983","0.005","47.422","0.01","90","","113.66","0.03","90","","41959","18","223","2","223","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C250 H312 Cd18 Cl10 Er6 N18 O88 -","- C250 H312 Cd18 Cl10 Er6 N18 O88 -","- C1000 H1248 Cd72 Cl40 Er24 N72 O352 -","4","0.5","","Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang","Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures","Journal of the American Chemical Society","2013","135","","8468","8471","10.1021/ja4031243","","","0.710747","MoKα","","0.1382","0.0805","","","0.1843","0.2101","","","","","","1.041","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119914","41.902","0.008","22.836","0.005","47.352","0.01","90","","112.95","0.03","90","","41723","18","223","2","223","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C250 H312 Cd18 Cl10 N18 O88 Yb6 -","- C250 H312 Cd18 Cl10 N18 O88 Yb6 -","- C1000 H1248 Cd72 Cl40 N72 O352 Yb24 -","4","0.5","","Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang","Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures","Journal of the American Chemical Society","2013","135","","8468","8471","10.1021/ja4031243","","","0.710747","MoKα","","0.0671","0.055","","","0.1548","0.1657","","","","","","1.058","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119915","39.03","0.002","39.03","0.002","39.03","0.002","90","","90","","90","","59456","5","100","2","100","2","","","","","","","","8","P n -3 n","-P 4a 2bc 3","222","","","","- C288 H200 B6.67 Cl1.33 F26.67 N16 O16 Pd4 -","- C288 H200 B6.6664 Cl1.3334 F26.6656 N16 O16 Pd4 -","- C1728 H1200 B39.9984 Cl8.0004 F159.994 N96 O96 Pd24 -","6","","","Sabrina Freye; Reent Michel; Dietmar Stalke; Martin Pawliczek; Holm Frauendorf; Guido H. Clever","Template Control over Dimerization and Guest Selectivity of Interpenetrated Coordination Cages","Journal of the American Chemical Society","2013","135","","8476","8479","10.1021/ja403184a","","","0.71073","MoKα","","0.2266","0.2212","","","0.5388","0.5471","","","","","","5.46","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119916","11.286","0.002","13.926","0.003","18.622","0.004","79.96","0.007","81.875","0.007","80.66","0.007","2824.5","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 B F12 Mn O3 -","- C28 H20 B F12 Mn O3 -","- C112 H80 B4 F48 Mn4 O12 -","4","2","","Jürgen Bauer; Holger Braunschweig; Alexander Damme; Jose Oscar Carlos; Jimenez-Halla, Thomas Kramer; Krzysztof Radacki; Rong Shang; Eva Siedler; Qing Ye","Metathesis Reactions of a Manganese Borylene Complex with Polar Heteroatom-Carbon Double Bonds: A Pathway to Previously Inaccessible Carbene Complexes","Journal of the American Chemical Society","2013","135","","8726","8734","10.1021/ja403389w","","","0.71073","MoKα","","0.1034","0.0615","","","0.1489","0.1717","","","","","","1.021","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119917","11.4741","0.0006","14.0262","0.0008","15.9012","0.0009","87.409","0.002","77.535","0.003","72.269","0.002","2379.5","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H11 F12 Mn O2 -","- C24 H11 F12 Mn O2 -","- C96 H44 F48 Mn4 O8 -","4","2","","Jürgen Bauer; Holger Braunschweig; Alexander Damme; Jose Oscar Carlos; Jimenez-Halla, Thomas Kramer; Krzysztof Radacki; Rong Shang; Eva Siedler; Qing Ye","Metathesis Reactions of a Manganese Borylene Complex with Polar Heteroatom-Carbon Double Bonds: A Pathway to Previously Inaccessible Carbene Complexes","Journal of the American Chemical Society","2013","135","","8726","8734","10.1021/ja403389w","","","0.71073","MoKα","","0.1199","0.0736","","","0.1968","0.2265","","","","","","1.043","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119918","10.8202","0.0005","11.6133","0.0006","13.7381","0.0007","90","","91.249","0.002","90","","1725.9","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Mn O2 -","- C22 H19 Mn O2 -","- C88 H76 Mn4 O8 -","4","1","","Jürgen Bauer; Holger Braunschweig; Alexander Damme; Jose Oscar Carlos; Jimenez-Halla, Thomas Kramer; Krzysztof Radacki; Rong Shang; Eva Siedler; Qing Ye","Metathesis Reactions of a Manganese Borylene Complex with Polar Heteroatom-Carbon Double Bonds: A Pathway to Previously Inaccessible Carbene Complexes","Journal of the American Chemical Society","2013","135","","8726","8734","10.1021/ja403389w","","","0.71073","MoKα","","0.0375","0.0296","","","0.0758","0.0805","","","","","","1.027","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119919","6.7387","0.0013","9.5344","0.0019","12.317","0.003","104.2","0.04","102.87","0.03","104.9","0.03","706","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 Mn O2 -","- C17 H19 Mn O2 -","- C34 H38 Mn2 O4 -","2","1","","Jürgen Bauer; Holger Braunschweig; Alexander Damme; Jose Oscar Carlos; Jimenez-Halla, Thomas Kramer; Krzysztof Radacki; Rong Shang; Eva Siedler; Qing Ye","Metathesis Reactions of a Manganese Borylene Complex with Polar Heteroatom-Carbon Double Bonds: A Pathway to Previously Inaccessible Carbene Complexes","Journal of the American Chemical Society","2013","135","","8726","8734","10.1021/ja403389w","","","0.71073","MoKα","","0.0473","0.0447","","","0.1162","0.1172","","","","","","1.106","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119920","12.0829","0.0005","9.4735","0.0003","15.2372","0.0006","90","","109.074","0.002","90","","1648.4","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Mn O2 -","- C22 H15 Mn O2 -","- C88 H60 Mn4 O8 -","4","1","","Jürgen Bauer; Holger Braunschweig; Alexander Damme; Jose Oscar Carlos; Jimenez-Halla, Thomas Kramer; Krzysztof Radacki; Rong Shang; Eva Siedler; Qing Ye","Metathesis Reactions of a Manganese Borylene Complex with Polar Heteroatom-Carbon Double Bonds: A Pathway to Previously Inaccessible Carbene Complexes","Journal of the American Chemical Society","2013","135","","8726","8734","10.1021/ja403389w","","","0.71073","MoKα","","0.0256","0.0235","","","0.0634","0.065","","","","","","1.041","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119921","13.9003","0.0009","9.3315","0.0005","19.1191","0.001","90","","110.082","0.003","90","","2329.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 B Mn N2 O2 -","- C24 H36 B Mn N2 O2 -","- C96 H144 B4 Mn4 N8 O8 -","4","1","","Jürgen Bauer; Holger Braunschweig; Alexander Damme; Jose Oscar Carlos; Jimenez-Halla, Thomas Kramer; Krzysztof Radacki; Rong Shang; Eva Siedler; Qing Ye","Metathesis Reactions of a Manganese Borylene Complex with Polar Heteroatom-Carbon Double Bonds: A Pathway to Previously Inaccessible Carbene Complexes","Journal of the American Chemical Society","2013","135","","8726","8734","10.1021/ja403389w","","","0.71073","MoKα","","0.0564","0.0396","","","0.0861","0.0931","","","","","","1.013","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119922","15.2691","0.0004","14.7958","0.0004","45.4046","0.0011","90","","90","","90","","10257.7","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H36 B Fe O4 P -","- C26 H36 B Fe O4 P -","- C416 H576 B16 Fe16 O64 P16 -","16","2","","Jürgen Bauer; Holger Braunschweig; Alexander Damme; Jose Oscar Carlos; Jimenez-Halla, Thomas Kramer; Krzysztof Radacki; Rong Shang; Eva Siedler; Qing Ye","Metathesis Reactions of a Manganese Borylene Complex with Polar Heteroatom-Carbon Double Bonds: A Pathway to Previously Inaccessible Carbene Complexes","Journal of the American Chemical Society","2013","135","","8726","8734","10.1021/ja403389w","","","0.71073","MoKα","","0.0661","0.0439","","","0.0954","0.104","","","","","","1.139","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119923","15.4759","0.001","12.6368","0.0008","12.476","0.0008","90","","100.839","0.003","90","","2396.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 N O8 -","- C23 H31 N O8 -","- C92 H124 N4 O32 -","4","1","","Stefan Diethelm; Erick M. Carreira","Total Synthesis of (\±)-Gelsemoxonine","Journal of the American Chemical Society","2013","135","","8500","8503","10.1021/ja403823n","","","1.54178","CuKα","","0.041","0.0356","","","0.1048","0.1082","","","","","","1.657","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119924","9.9057","0.001","10.7324","0.0011","12.5346","0.0014","108.396","0.003","93.92","0.004","101.374","0.003","1227.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H33 N O9 -","- C23 H33 N O9 -","- C46 H66 N2 O18 -","2","1","","Stefan Diethelm; Erick M. Carreira","Total Synthesis of (\±)-Gelsemoxonine","Journal of the American Chemical Society","2013","135","","8500","8503","10.1021/ja403823n","","","0.71073","MoKα","","0.0623","0.0427","","","0.0992","0.1095","","","","","","1.156","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119925","5.8036","0.0005","21.9511","0.0018","14.3746","0.0012","90","","95.263","0.005","90","","1823.5","0.3","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Br N O3 S -","- C19 H20 Br N O3 S -","- C76 H80 Br4 N4 O12 S4 -","4","2","","Nicholas A. White; Daniel A. DiRocco; Tomislav Rovis","Asymmetric N-Heterocyclic Carbene Catalyzed Addition of Enals to Nitroalkenes: Controlling Stereochemistry via the Homoenolate Reactivity Pathway To Access δ-Lactams","Journal of the American Chemical Society","2013","135","","8504","8507","10.1021/ja403847e","","","0.71073","MoKα","","0.0659","0.0453","","","0.088","0.0964","","","","","","1.046","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119926","18.6914","0.001","10.6191","0.0005","17.3286","0.0008","90","","106.406","0.002","90","","3299.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H33 B Cl2 P2 Ru -","- C42 H33 B Cl2 P2 Ru -","- C168 H132 B4 Cl8 P8 Ru4 -","4","1","","Michael P. Boone; Douglas W. Stephan","A Ru-η6-Arene Complex as a C-Based Lewis Acid in the Activation of Hydrogen and Hydrogenation Catalysis","Journal of the American Chemical Society","2013","135","","8508","8511","10.1021/ja403912n","","","0.71073","MoKα","","0.0726","0.0493","","","0.1097","0.119","","","","","","1.066","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119927","12.9737","0.0009","16.0623","0.0012","16.2961","0.0011","108.067","0.004","101.46","0.004","93.887","0.004","3133.4","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H45 B2 Cl F20 P2 Ru -","- C72 H45 B2 Cl F20 P2 Ru -","- C144 H90 B4 Cl2 F40 P4 Ru2 -","2","1","","Michael P. Boone; Douglas W. Stephan","A Ru-η6-Arene Complex as a C-Based Lewis Acid in the Activation of Hydrogen and Hydrogenation Catalysis","Journal of the American Chemical Society","2013","135","","8508","8511","10.1021/ja403912n","","","0.71073","MoKα","","0.0648","0.0402","","","0.0876","0.098","","","","","","1.011","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119928","12.1259","0.0004","18.9559","0.0007","19.0521","0.0007","94.198","0.002","104.673","0.002","94.291","0.002","4205.2","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H66 B2 Cl F20 P3 Ru -","- C84 H66 B2 Cl F20 P3 Ru -","- C168 H132 B4 Cl2 F40 P6 Ru2 -","2","1","","Michael P. Boone; Douglas W. Stephan","A Ru-η6-Arene Complex as a C-Based Lewis Acid in the Activation of Hydrogen and Hydrogenation Catalysis","Journal of the American Chemical Society","2013","135","","8508","8511","10.1021/ja403912n","","","0.71073","MoKα","","0.1058","0.0537","","","0.1086","0.1208","","","","","","0.963","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119929","11.9774","0.0005","12.7147","0.0006","14.4141","0.0007","94.881","0.002","99.001","0.002","105.431","0.002","2071.33","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H52 B Br P2 Ru -","- C51 H52 B Br P2 Ru -","- C102 H104 B2 Br2 P4 Ru2 -","2","1","","Michael P. Boone; Douglas W. Stephan","A Ru-η6-Arene Complex as a C-Based Lewis Acid in the Activation of Hydrogen and Hydrogenation Catalysis","Journal of the American Chemical Society","2013","135","","8508","8511","10.1021/ja403912n","","","0.71073","MoKα","","0.0764","0.0419","","","0.073","0.0824","","","","","","1.016","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119930","10.6015","0.0005","8.0107","0.0005","14.2626","0.0011","90","","92.799","0.007","90","","1209.81","0.13","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 F3 N2 O2 -","- C12 H9 F3 N2 O2 -","- C48 H36 F12 N8 O8 -","4","1","","Jian-Jun Dai; Chi Fang; Bin Xiao; Jun Yi; Jun Xu; Zhao-Jing Liu; Xi Lu; Lei Liu; Yao Fu","Copper-Promoted Sandmeyer Trifluoromethylation Reaction","Journal of the American Chemical Society","2013","135","","8436","8439","10.1021/ja404217t","","","0.71073","MoKα","","0.1075","0.0669","","","0.153","0.1774","","","","","","1.047","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119931","7.7098","0.0004","8.8646","0.0006","11.5586","0.0005","90","","97.321","0.004","90","","783.52","0.08","290","2","290","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C19 H13 F3 Fe -","- C19 H13 F3 Fe -","- C38 H26 F6 Fe2 -","2","0.5","","Jian-Jun Dai; Chi Fang; Bin Xiao; Jun Yi; Jun Xu; Zhao-Jing Liu; Xi Lu; Lei Liu; Yao Fu","Copper-Promoted Sandmeyer Trifluoromethylation Reaction","Journal of the American Chemical Society","2013","135","","8436","8439","10.1021/ja404217t","","","0.71073","MoKα","","0.089","0.0774","","","0.1775","0.1849","","","","","","1.029","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119932","20.4305","0.0004","14.7348","0.0005","11.0389","0.0003","90","","90.088","0.002","90","","3323.14","0.16","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 B F10 P -","- C37 H32 B F10 P -","- C148 H128 B4 F40 P4 -","4","1","","Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker","Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions","Journal of the American Chemical Society","2013","135","","8882","8895","10.1021/ja400338e","","","1.54178","CuKα","","0.048","0.0453","","","0.1173","0.1198","","","","","","1.043","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119933","17.5236","0.0005","18.1897","0.0006","20.2976","0.0003","90","","90","","90","","6469.8","0.3","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H34 B F10 P -","- C37 H34 B F10 P -","- C296 H272 B8 F80 P8 -","8","1","","Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker","Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions","Journal of the American Chemical Society","2013","135","","8882","8895","10.1021/ja400338e","","","1.54178","CuKα","","0.0597","0.0452","","","0.1057","0.1149","","","","","","1.028","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119934","11.3261","0.0002","11.4019","0.0002","18.0739","0.0004","80.106","0.004","86.398","0.007","67.178","0.008","2119.31","0.15","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H38 B F10 O P -","- C44 H38 B F10 O P -","- C88 H76 B2 F20 O2 P2 -","2","1","","Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker","Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions","Journal of the American Chemical Society","2013","135","","8882","8895","10.1021/ja400338e","","","0.71073","MoKα","","0.0757","0.0672","","","0.1918","0.1995","","","","","","1.048","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119935","10.4235","0.001","17.0105","0.0009","21.393","0.002","90","","90","","90","","3793.2","0.5","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H34 B Cl2 F10 O2 P -","- C39 H34 B Cl2 F10 O2 P -","- C156 H136 B4 Cl8 F40 O8 P4 -","4","1","","Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker","Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions","Journal of the American Chemical Society","2013","135","","8882","8895","10.1021/ja400338e","","","1.54178","CuKα","","0.047","0.0411","","","0.0927","0.0973","","","","","","1.074","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119936","16.4556","0.0007","16.7148","0.0006","24.6103","0.0008","90","","90","","90","","6769.1","0.4","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H32 B F10 O2 P S -","- C37 H32 B F10 O2 P S -","- C296 H256 B8 F80 O16 P8 S8 -","8","1","","Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker","Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions","Journal of the American Chemical Society","2013","135","","8882","8895","10.1021/ja400338e","","","1.54178","CuKα","","0.1064","0.0572","","","0.1202","0.1444","","","","","","1.039","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119937","10.5699","0.0003","17.6128","0.0006","10.9505","0.0005","90","","113.061","0.002","90","","1875.7","0.12","223","2","223","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H34 B Cl2 F10 N O P -","- C38 H34 B Cl2 F10 N O P -","- C76 H68 B2 Cl4 F20 N2 O2 P2 -","2","1","","Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker","Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions","Journal of the American Chemical Society","2013","135","","8882","8895","10.1021/ja400338e","","","1.54178","CuKα","","0.0402","0.0396","","","0.1048","0.1056","","","","","","1.045","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119938","9.0382","0.0002","13.0849","0.0002","15.5601","0.0003","113.879","0.002","96.7","0.001","93.957","0.001","1657.45","0.06","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H33 B F10 N O P -","- C37 H33 B F10 N O P -","- C74 H66 B2 F20 N2 O2 P2 -","2","1","","Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker","Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions","Journal of the American Chemical Society","2013","135","","8882","8895","10.1021/ja400338e","","","0.71073","MoKα","","0.0626","0.053","","","0.1186","0.1266","","","","","","1.094","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119939","17.5033","0.0006","11.6428","0.0005","19.5772","0.0013","90","","111.969","0.002","90","","3699.9","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H40 B F10 P -","- C41 H40 B F10 P -","- C164 H160 B4 F40 P4 -","4","1","","Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker","Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions","Journal of the American Chemical Society","2013","135","","8882","8895","10.1021/ja400338e","","","1.54178","CuKα","","0.0802","0.0581","","","0.1339","0.1504","","","","","","1.023","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119940","10.664","0.001","17.001","0.001","19.878","0.001","89.863","0.001","81.233","0.001","72.371","0.001","3390.8","0.4","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C33 H43 B Cl Li O2 P2 S -","- C33 H43 B Cl Li O2 P2 S -","- C132 H172 B4 Cl4 Li4 O8 P8 S4 -","4","2","","Hadrien Heuclin; Samuel Y.-F. Ho; Xavier F. Le Goff; Cheuk-Wai So; Nicolas Mézailles","Facile B-H Bond Activation of Borane by Stable Carbenoid Species","Journal of the American Chemical Society","2013","135","","8774","8777","10.1021/ja401763c","","","0.71069","MoKα","","0.0707","0.0558","","","0.1471","0.1624","","","","","","1.075","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119941","29.053","0.001","29.053","0.001","9.752","0.001","90","","90","","120","","7128.6","0.8","150","0.1","150","0.1","","","","","","","","5","P -3","-P 3","147","","","","- C50 H46 B2 P4 S2 -","- C50 H46 B2 P4 S2 -","- C300 H276 B12 P24 S12 -","6","1","","Hadrien Heuclin; Samuel Y.-F. Ho; Xavier F. Le Goff; Cheuk-Wai So; Nicolas Mézailles","Facile B-H Bond Activation of Borane by Stable Carbenoid Species","Journal of the American Chemical Society","2013","135","","8774","8777","10.1021/ja401763c","","","0.71069","MoKα","","0.124","0.0885","","","0.2147","0.2357","","","","","","1.038","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119942","10.873","0.001","19.366","0.001","15.726","0.001","90","","130.732","0.004","90","","2509.3","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 B2 Cl4 P4 S2 -","- C52 H50 B2 Cl4 P4 S2 -","- C104 H100 B4 Cl8 P8 S4 -","2","0.5","","Hadrien Heuclin; Samuel Y.-F. Ho; Xavier F. Le Goff; Cheuk-Wai So; Nicolas Mézailles","Facile B-H Bond Activation of Borane by Stable Carbenoid Species","Journal of the American Chemical Society","2013","135","","8774","8777","10.1021/ja401763c","","","0.71069","MoKα","","0.0354","0.0317","","","0.0746","0.0773","","","","","","1.056","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119943","11.007","0.001","11.394","0.001","11.505","0.001","106.44","0.001","103.988","0.001","97.624","0.001","1311.1","0.2","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H50 B2 Cl4 P4 S4 -","- C52 H50 B2 Cl4 P4 S4 -","- C52 H50 B2 Cl4 P4 S4 -","1","0.5","","Hadrien Heuclin; Samuel Y.-F. Ho; Xavier F. Le Goff; Cheuk-Wai So; Nicolas Mézailles","Facile B-H Bond Activation of Borane by Stable Carbenoid Species","Journal of the American Chemical Society","2013","135","","8774","8777","10.1021/ja401763c","","","0.71069","MoKα","","0.0762","0.0709","","","0.1806","0.1862","","","","","","1.021","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119944","35.558","0.005","13.495","0.005","29.699","0.005","90","0.005","122.628","0.005","90","0.005","12002","5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H82 Mg8 N2 O36 -","- C56 H82 Mg8 N2 O36 -","- C224 H328 Mg32 N8 O144 -","4","0.5","","Tae Kyung Kim; Kyung Joo Lee; Jae Yeong Cheon; Jae Hwa Lee; Sang Hoon Joo; Hoi Ri Moon","Nanoporous Metal Oxides with Tunable and Nanocrystalline Frameworks via Conversion of Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","8940","8946","10.1021/ja401869h","","","0.71073","MoKα","","0.2133","0.1025","","","0.2772","0.3232","","","","","","0.949","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119945","9.6091","0.0006","12.0979","0.0009","13.0841","0.001","90","","103.681","0.008","90","","1477.87","0.19","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Br F3 N O2 S -","- C13 H13 Br F3 N O2 S -","- C52 H52 Br4 F12 N4 O8 S4 -","4","1","","Yu-Dong Yang; Ayaka Azuma; Etsuko Tokunaga; Mikio Yamasaki; Motoo Shiro; Norio Shibata","Trifluoromethanesulfonyl Hypervalent Iodonium Ylide for Copper-Catalyzed Trifluoromethylthiolation of Enamines, Indoles, and β-Keto Esters","Journal of the American Chemical Society","2013","135","","8782","8785","10.1021/ja402455f","","","0.71075","MoKα","","","0.0446","","","","0.0987","","","","","","1.005","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119946","11.742","0.002","17.046","0.003","6.316","0.0013","90","","112.5","0.03","90","","1167.9","0.5","150","","150","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C16 H36 Si4 Sn -","- C16 H36 Si4 Sn -","- C32 H72 Si8 Sn2 -","2","0.5","","Vladimir Ya. Lee; Yuki Ito; Akira Sekiguchi; Heinz Gornitzka; Olga A. Gapurenko; Vladimir I. Minkin; Ruslan M. Minyaev","Pyramidanes","Journal of the American Chemical Society","2013","135","","8794","8797","10.1021/ja403173e","","","0.71073","MoKα","","0.0131","0.0131","","","0.033","0.033","","","","","","1.19","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119947","11.88","0.009","14.995","0.012","15.155","0.012","62.211","0.01","83.252","0.011","85.344","0.01","2371","3","100","2","373","2","","","","","","","","7","P -1","-P 1","2","CLV30_4","","","- C45 H54 Co O4 P S Si -","- C45 H54 Co O4 P S Si -","- C90 H108 Co2 O8 P2 S2 Si2 -","2","1","","Joseph M. O'Connor; Kim K. Baldridge; Carmen L. Vélez; Arnold L. Rheingold; Curtis E. Moore","Chemistry at the Alkyne-Carbene Intersection: A Metallacyclobutene-η3-Vinylcarbene Equilibration","Journal of the American Chemical Society","2013","135","","8826","8829","10.1021/ja4039483","","","0.71073","MoKα","","0.066","0.0487","","","0.1328","0.1425","","","","","","0.961","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119948","9.847","0.003","18.614","0.005","18.744","0.005","90","","100.763","0.005","90","","3375.2","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 Co O4 P S Si -","- C38 H40 Co O4 P S Si -","- C152 H160 Co4 O16 P4 S4 Si4 -","4","1","","Joseph M. O'Connor; Kim K. Baldridge; Carmen L. Vélez; Arnold L. Rheingold; Curtis E. Moore","Chemistry at the Alkyne-Carbene Intersection: A Metallacyclobutene-η3-Vinylcarbene Equilibration","Journal of the American Chemical Society","2013","135","","8826","8829","10.1021/ja4039483","","","0.71073","MoKα","","0.076","0.0459","","","0.1017","0.1139","","","","","","1.01","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119949","12.2488","0.0008","17.4041","0.0013","14.7075","0.0011","90","","98.015","0.004","90","","3104.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Co2 O4 S Si -","- C32 H44 Co2 O4 S Si -","- C128 H176 Co8 O16 S4 Si4 -","4","1","","Joseph M. O'Connor; Kim K. Baldridge; Carmen L. Vélez; Arnold L. Rheingold; Curtis E. Moore","Chemistry at the Alkyne-Carbene Intersection: A Metallacyclobutene-η3-Vinylcarbene Equilibration","Journal of the American Chemical Society","2013","135","","8826","8829","10.1021/ja4039483","","","1.54178","CuKα","","0.0403","0.0332","","","0.0802","0.0848","","","","","","1.028","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119950","12.3188","0.0008","26.3035","0.0016","39.777","0.003","98.976","0.005","98.632","0.005","90.103","0.005","12582.6","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H45 Co O6 S Si -","- C31 H45 Co O6 S Si -","- C496 H720 Co16 O96 S16 Si16 -","16","8","","Joseph M. O'Connor; Kim K. Baldridge; Carmen L. Vélez; Arnold L. Rheingold; Curtis E. Moore","Chemistry at the Alkyne-Carbene Intersection: A Metallacyclobutene-η3-Vinylcarbene Equilibration","Journal of the American Chemical Society","2013","135","","8826","8829","10.1021/ja4039483","","","1.54184","CuKα","","0.2403","0.1594","","","0.3616","0.4205","","","","","","1.241","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119951","8.3754","0.0004","13.8729","0.0007","15.0533","0.0009","105.948","0.005","100.518","0.005","104.942","0.004","1563.27","0.16","100","2","100.01","","","","","","","","","7","P -1","-P 1","2","{Ti‒Cr}","CGCTiCl2-SNSCrCl2","","- C25 H42 Cl2 N2 S2 Si Ti -","- C25 H42 Cl2 N2 S2 Si Ti -","- C50 H84 Cl4 N4 S4 Si2 Ti2 -","2","1","","Shaofeng Liu; Alessandro Motta; Massimiliano Delferro; Tobin J. Marks","Synthesis, Characterization, and Heterobimetallic Cooperation in a Titanium-Chromium Catalyst for Highly Branched Polyethylenes","Journal of the American Chemical Society","2013","135","","8830","8833","10.1021/ja4039505","","x-ray","1.54178","CuKα","","0.1569","0.1167","","","0.3195","0.3538","","","","","","1.266","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119952","4.6779","0.0001","12.853","0.0002","53.3818","0.0007","90","","91.8752","0.0005","90","","3207.86","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Anthraceneimide dimer","","","- C44 H34 N2 O4 -","- C44 H34 N2 O4 -","- C176 H136 N8 O16 -","4","1","","Chunxue Yuan; Shohei Saito; Cristopher Camacho; Stephan Irle; Ichiro Hisaki; Shigehiro Yamaguchi","A π-Conjugated System with Flexibility and Rigidity That Shows Environment-Dependent RGB Luminescence","Journal of the American Chemical Society","2013","135","","8842","8845","10.1021/ja404198h","","","0.8","synchrotron","","0.0562","0.0531","","","0.1333","0.1356","","","","","","1.116","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119953","17.309","0.002","11.5835","0.0014","7.4963","0.0009","90","","101.442","0.002","90","","1473.1","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","n-Butylanthraceneimide","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Chunxue Yuan; Shohei Saito; Cristopher Camacho; Stephan Irle; Ichiro Hisaki; Shigehiro Yamaguchi","A π-Conjugated System with Flexibility and Rigidity That Shows Environment-Dependent RGB Luminescence","Journal of the American Chemical Society","2013","135","","8842","8845","10.1021/ja404198h","","","0.7107","MoKα","","0.0405","0.0388","","","0.1019","0.1035","","","","","","1.047","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119954","6.7794","0.0003","12.2839","0.0005","38.52","0.0016","90","","90","","90","","3207.8","0.2","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","ingalls001","ingalls001","","- C31 H31 F6 N3 O6 Pd -","- C31 H31 F6 N3 O6 Pd -","- C124 H124 F24 N12 O24 Pd4 -","4","1","","Erica L. Ingalls; Paul A. Sibbald; Werner Kaminsky; Forrest E. Michael","Enantioselective Palladium-Catalyzed Diamination of Alkenes Using N-Fluorobenzenesulfonimide","Journal of the American Chemical Society","2013","135","","8854","8856","10.1021/ja4043406","","","0.71073","MoKα","","0.0587","0.0479","","","0.0855","0.0891","","","","","","1.069","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119955","16.1337","0.0009","12.6977","0.0007","11.6815","0.0007","90","","107.018","0.007","90","","2288.3","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 F3 N O4 Rh S -","- C22 H25 F3 N O4 Rh S -","- C88 H100 F12 N4 O16 Rh4 S4 -","4","1","","Guoying Zhang; Lei Yang; Yanyu Wang; Yinjun Xie; Hanmin Huang","An Efficient Rh/O2 Catalytic System for Oxidative C-H Activation/Annulation: Evidence for Rh(I) to Rh(III) Oxidation by Molecular Oxygen","Journal of the American Chemical Society","2013","135","","8850","8853","10.1021/ja404414q","","","0.7107","MoKα","","0.104","0.0626","","","0.1394","0.1702","","","","","","1.044","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119956","15.122","0.002","9.2388","0.0009","32.256","0.004","90","","104.272","0.014","90","","4367.4","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 F3 N O3 S -","- C26 H18 F3 N O3 S -","- C208 H144 F24 N8 O24 S8 -","8","1","","Guoying Zhang; Lei Yang; Yanyu Wang; Yinjun Xie; Hanmin Huang","An Efficient Rh/O2 Catalytic System for Oxidative C-H Activation/Annulation: Evidence for Rh(I) to Rh(III) Oxidation by Molecular Oxygen","Journal of the American Chemical Society","2013","135","","8850","8853","10.1021/ja404414q","","","0.7107","MoKα","","0.1374","0.0865","","","0.2272","0.2682","","","","","","1.043","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119957","13.6762","0.0007","13.7277","0.0004","16.9536","0.0005","90","","90.778","0.003","90","","3182.6","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 F3 N O3 Rh S -","- C36 H33 F3 N O3 Rh S -","- C144 H132 F12 N4 O12 Rh4 S4 -","4","1","","Guoying Zhang; Lei Yang; Yanyu Wang; Yinjun Xie; Hanmin Huang","An Efficient Rh/O2 Catalytic System for Oxidative C-H Activation/Annulation: Evidence for Rh(I) to Rh(III) Oxidation by Molecular Oxygen","Journal of the American Chemical Society","2013","135","","8850","8853","10.1021/ja404414q","","","0.7107","MoKα","","0.0537","0.0377","","","0.084","0.0943","","","","","","1.045","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119958","18.5111","0.0012","18.5111","0.0012","9.7964","0.0007","90","","90","","90","","3356.8","0.4","143","1","143","1","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C24 H14 N2 O2 -","- C24 H14 N2 O2 -","- C192 H112 N16 O16 -","8","0.5","","Robert-André F. Rarig; Mai N. Tran; David M. Chenoweth","Synthesis and Conformational Dynamics of the Reported Structure of Xylopyridine A","Journal of the American Chemical Society","2013","135","","9213","9219","10.1021/ja404737q","","","0.71073","MoKα","","0.0358","0.0308","","","0.076","0.0805","","","","","","1.036","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119959","13.908","0.002","11.0557","0.0018","30.962","0.005","90","","101.174","0.002","90","","4670.6","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[{Cl2NN]Cu}2(NtBu)","","","- C43 H47 Cl8 Cu2 N5 -","- C42.99 H47 Cl8 Cu2 N5 -","- C171.96 H188 Cl32 Cu8 N20 -","4","1","","Mae Joanne B. Aguila; Yosra M. Badiei; Timothy H. Warren","Mechanistic Insights into C-H Amination via Dicopper Nitrenes","Journal of the American Chemical Society","2013","135","","9399","9406","10.1021/ja400879m","","","0.71073","MoKα","","0.0731","0.049","","","0.1104","0.1189","","","","","","1.034","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119960","11.953","0.0013","21.477","0.002","17.1024","0.0018","90","","105.269","0.002","90","","4235.5","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","{[Cl2NN]Cu}2(NCH2CH2Ph)","","","- C42 H35 Cl8 Cu2 N5 -","- C42 H35 Cl8 Cu2 N5 -","- C168 H140 Cl32 Cu8 N20 -","4","1","","Mae Joanne B. Aguila; Yosra M. Badiei; Timothy H. Warren","Mechanistic Insights into C-H Amination via Dicopper Nitrenes","Journal of the American Chemical Society","2013","135","","9399","9406","10.1021/ja400879m","","","0.71073","MoKα","","0.0966","0.0494","","","0.0987","0.1076","","","","","","0.998","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119961","22.29","0.002","10.972","0.001","37.221","0.004","90","","94.222","0.001","90","","9078.3","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{Cl2NN]Cu}2(NC6H11)","","","- C42.5 H43 Cl8 Cu2 N5 -","- C42.5 H43 Cl8 Cu2 N5 -","- C340 H344 Cl64 Cu16 N40 -","8","1","","Mae Joanne B. Aguila; Yosra M. Badiei; Timothy H. Warren","Mechanistic Insights into C-H Amination via Dicopper Nitrenes","Journal of the American Chemical Society","2013","135","","9399","9406","10.1021/ja400879m","","","0.71073","MoKα","","0.1148","0.0559","","","0.1122","0.1266","","","","","","0.958","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119962","8.136","0.0017","23.693","0.005","13.613","0.003","90","","105.323","0.003","90","","2530.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cl2NNCu](NHCHCH2Ph)","","","- C25 H22 Cl4 Cu N3 -","- C25 H22 Cl4 Cu N3 -","- C100 H88 Cl16 Cu4 N12 -","4","1","","Mae Joanne B. Aguila; Yosra M. Badiei; Timothy H. Warren","Mechanistic Insights into C-H Amination via Dicopper Nitrenes","Journal of the American Chemical Society","2013","135","","9399","9406","10.1021/ja400879m","","","0.71073","MoKα","","0.111","0.0688","","","0.1537","0.1635","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119963","24.85","0.007","31.445","0.009","12.115","0.004","90","","90","","90","","9467","5","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","[Cl2NNCu](NHC6CH10)","","","- C23 H24 Cl4 Cu N3 -","- C23 H24 Cl4 Cu N3 -","- C368 H384 Cl64 Cu16 N48 -","16","1","","Mae Joanne B. Aguila; Yosra M. Badiei; Timothy H. Warren","Mechanistic Insights into C-H Amination via Dicopper Nitrenes","Journal of the American Chemical Society","2013","135","","9399","9406","10.1021/ja400879m","","","0.71073","MoKα","","0.0271","0.0243","","","0.052","0.0528","","","","","","1.002","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119964","11.234","0.004","11.375","0.004","16.729","0.006","79.254","0.009","71.233","0.01","79.984","0.014","1973.6","1.2","110","","110","","","","","","","","","8","P -1","-P 1","2","","","","- C37 H16 B Cl2 F25 N3 O Re -","- C37 H16 B Cl2 F25 N3 O Re -","- C74 H32 B2 Cl4 F50 N6 O2 Re2 -","2","1","","Jessica L. Smeltz; Cassandra P. Lilly; Paul D. Boyle; Elon A. Ison","The Electronic Nature of Terminal Oxo Ligands in Transition-Metal Complexes: Ambiphilic Reactivity of Oxorhenium Species","Journal of the American Chemical Society","2013","135","","9433","9441","10.1021/ja401390v","","","0.71073","MoKα","","0.0505","0.0349","","","0.0721","0.0768","","","","","","1.041","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119965","10.841","0.003","11.689","0.004","16.724","0.005","90.926","0.009","108.058","0.013","100.435","0.011","1975.6","1.1","110","","110","","","","","","","","","8","P -1","-P 1","2","","","","- C36 H13 B Cl3 F25 N3 O Re -","- C36 H13 B Cl3 F25 N3 O Re -","- C72 H26 B2 Cl6 F50 N6 O2 Re2 -","2","1","","Jessica L. Smeltz; Cassandra P. Lilly; Paul D. Boyle; Elon A. Ison","The Electronic Nature of Terminal Oxo Ligands in Transition-Metal Complexes: Ambiphilic Reactivity of Oxorhenium Species","Journal of the American Chemical Society","2013","135","","9433","9441","10.1021/ja401390v","","","0.71073","MoKα","","0.0428","0.0332","","","0.0702","0.0734","","","","","","1.046","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119966","11.579","0.0004","18.3876","0.0006","19.2215","0.0007","90.0204","0.0018","91.1954","0.0019","90.4654","0.0018","4091.4","0.2","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H32 B F15 N3 O Re -","- C44 H32 B F15 N3 O Re -","- C176 H128 B4 F60 N12 O4 Re4 -","4","2","","Jessica L. Smeltz; Cassandra P. Lilly; Paul D. Boyle; Elon A. Ison","The Electronic Nature of Terminal Oxo Ligands in Transition-Metal Complexes: Ambiphilic Reactivity of Oxorhenium Species","Journal of the American Chemical Society","2013","135","","9433","9441","10.1021/ja401390v","","","0.71073","MoKα","","0.0582","0.0392","","","0.0882","0.0962","","","","","","1.029","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119967","13.2245","0.0003","13.1821","0.0003","28.6216","0.0007","90","","108.822","0.0011","90","","4722.69","0.19","110","","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 B Cl F15 N3 O Re -","- C43 H29 B Cl F15 N3 O Re -","- C172 H116 B4 Cl4 F60 N12 O4 Re4 -","4","1","","Jessica L. Smeltz; Cassandra P. Lilly; Paul D. Boyle; Elon A. Ison","The Electronic Nature of Terminal Oxo Ligands in Transition-Metal Complexes: Ambiphilic Reactivity of Oxorhenium Species","Journal of the American Chemical Society","2013","135","","9433","9441","10.1021/ja401390v","","","0.71073","MoKα","","0.0461","0.0301","","","0.0697","0.0756","","","","","","1.081","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119968","11.049","0.002","35.508","0.007","11.003","0.002","90","","106.784","0.005","90","","4132.9","1.3","110","","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H16 B Cl2 F25 N3 O2 Re -","- C38 H16 B Cl2 F25 N3 O2 Re -","- C152 H64 B4 Cl8 F100 N12 O8 Re4 -","4","1","","Jessica L. Smeltz; Cassandra P. Lilly; Paul D. Boyle; Elon A. Ison","The Electronic Nature of Terminal Oxo Ligands in Transition-Metal Complexes: Ambiphilic Reactivity of Oxorhenium Species","Journal of the American Chemical Society","2013","135","","9433","9441","10.1021/ja401390v","","","0.71073","MoKα","","0.065","0.0384","","","0.0712","0.0773","","","","","","1.066","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119969","13.405","0.003","13.412","0.003","28.537","0.005","90","","108.018","0.006","90","","4879","1.8","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H32 B F15 N3 O2 Re -","- C45 H32 B F15 N3 O2 Re -","- C180 H128 B4 F60 N12 O8 Re4 -","4","1","","Jessica L. Smeltz; Cassandra P. Lilly; Paul D. Boyle; Elon A. Ison","The Electronic Nature of Terminal Oxo Ligands in Transition-Metal Complexes: Ambiphilic Reactivity of Oxorhenium Species","Journal of the American Chemical Society","2013","135","","9433","9441","10.1021/ja401390v","","","0.71073","MoKα","","0.0632","0.0359","","","0.0727","0.0781","","","","","","1.022","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119970","15.607","0.006","10.334","0.004","14.797","0.005","90","","112.852","0.005","90","","2199.2","1.4","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 B F13 N3 O2 Re -","- C19 H11 B F13 N3 O2 Re -","- C76 H44 B4 F52 N12 O8 Re4 -","4","1","","Jessica L. Smeltz; Cassandra P. Lilly; Paul D. Boyle; Elon A. Ison","The Electronic Nature of Terminal Oxo Ligands in Transition-Metal Complexes: Ambiphilic Reactivity of Oxorhenium Species","Journal of the American Chemical Society","2013","135","","9433","9441","10.1021/ja401390v","","","0.71073","MoKα","","0.0615","0.0276","","","0.0526","0.0608","","","","","","1.131","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119971","8.6522","0.0003","13.2195","0.0005","20.8263","0.0008","90","","90","","90","","2382.07","0.15","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 Cl N3 O Re -","- C24 H33 Cl N3 O Re -","- C96 H132 Cl4 N12 O4 Re4 -","4","1","","Jessica L. Smeltz; Cassandra P. Lilly; Paul D. Boyle; Elon A. Ison","The Electronic Nature of Terminal Oxo Ligands in Transition-Metal Complexes: Ambiphilic Reactivity of Oxorhenium Species","Journal of the American Chemical Society","2013","135","","9433","9441","10.1021/ja401390v","","","0.71073","MoKα","","0.0246","0.021","","","0.0382","0.0391","","","","","","1.033","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119972","9.4592","0.0008","7.737","0.0004","16.0848","0.0014","90","","102.562","0.008","90","","1149","0.16","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H23 Br N2 O -","- C26 H23 Br N2 O -","- C52 H46 Br2 N4 O2 -","2","1","","Zhong-Lin Tao; Wen-Quan Zhang; Dian-Feng Chen; Arafate Adele; Liu-Zhu Gong","Pd-Catalyzed Asymmetric Allylic Alkylation of Pyrazol-5-ones with Allylic Alcohols: The Role of the Chiral Phosphoric Acid in C-O Bond Cleavage and Stereocontrol","Journal of the American Chemical Society","2013","135","","9255","9258","10.1021/ja402740q","","","0.71073","MoKα","","0.1374","0.0568","","","0.1133","0.1463","","","","","","1.007","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119973","8.446","0.007","15.471","0.009","15.65","0.01","90","","99.33","0.03","90","","2018","2","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 N4 O2 -","- C21 H26 N4 O2 -","- C84 H104 N16 O8 -","4","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.112","0.0716","","","0.1737","0.1965","","","","","","0.946","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119974","53.221","0.011","10.995","0.002","11.983","0.002","90","","98.86","0.03","90","","6928","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H25 Cl N4 O -","- C15.5 H25 Cl N4 O -","- C248 H400 Cl16 N64 O16 -","16","2","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.0815","0.0577","","","0.1163","0.1299","","","","","","1.064","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119975","8.225","0.0016","15.862","0.003","13.308","0.003","90","","100.57","0.03","90","","1706.8","0.6","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N4 O -","- C19 H20 N4 O -","- C76 H80 N16 O4 -","4","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.1692","0.0814","","","0.172","0.2144","","","","","","1.017","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119976","5.9744","0.0004","14.5125","0.001","7.459","0.0003","90","","94.942","0.004","90","","644.32","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 N4 O -","- C5 H8 N4 O -","- C20 H32 N16 O4 -","4","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.0341","0.0288","","","0.0725","0.0763","","","","","","1.122","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119977","10.7327","0.0008","11.2343","0.0007","10.6356","0.0007","90","","119.383","0.005","90","","1117.41","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 N4 O -","- C9 H16 N4 O -","- C36 H64 N16 O4 -","4","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.0389","0.0336","","","0.0807","0.0847","","","","","","1.092","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119978","6.0781","0.0013","16.4649","0.0019","7.3469","0.0009","90","","95.623","0.013","90","","731.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N4 O -","- C6 H10 N4 O -","- C24 H40 N16 O4 -","4","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.0564","0.0398","","","0.0852","0.0941","","","","","","1.112","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119979","31.635","0.005","8.4919","0.0009","15.672","0.0019","90","","112.954","0.015","90","","3876.8","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 N4 O -","- C21 H26 N4 O -","- C168 H208 N32 O8 -","8","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.0943","0.0538","","","0.1163","0.1375","","","","","","1.109","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119980","12.9921","0.0019","15.555","0.002","13.6282","0.001","90","","107.073","0.009","90","","2632.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 N3 O3 S -","- C28 H33 N3 O3 S -","- C112 H132 N12 O12 S4 -","4","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.1052","0.0629","","","0.1301","0.1489","","","","","","1.066","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119981","32.108","0.003","8.7345","0.001","32.585","0.005","90","","94.53","0.01","90","","9109.8","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 Cl N3 O -","- C23 H28 Cl N3 O -","- C368 H448 Cl16 N48 O16 -","16","2","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.2142","0.0825","","","0.2027","0.2817","","","","","","0.962","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119982","8.4745","0.0011","15.689","0.002","15.702","0.003","79.949","0.013","80.705","0.013","89.136","0.013","2028.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H41 B Cl2 F4 N4 O -","- C41 H41 B Cl2 F4 N4 O -","- C82 H82 B2 Cl4 F8 N8 O2 -","2","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.0762","0.0532","","","0.1275","0.1395","","","","","","1.078","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119983","37.299","0.008","8.4594","0.0018","22.507","0.006","90","","104.925","0.018","90","","6862","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H88 Cl6 Cr2 N8 O7 -","- C62 H88 Cl6 Cr2 N8 O7 -","- C248 H352 Cl24 Cr8 N32 O28 -","4","0.5","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.1027","0.0609","","","0.1149","0.1317","","","","","","1.116","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119984","11.568","0.002","11.801","0.002","17.111","0.002","93.525","0.011","99.74","0.012","101.563","0.014","2244.5","0.6","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H48 Cu F3 N8 O5 S -","- C43 H48 Cu F3 N8 O5 S -","- C86 H96 Cu2 F6 N16 O10 S2 -","2","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.1236","0.108","","","0.2731","0.2813","","","","","","1.148","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119985","11.2126","0.001","16.522","0.003","34.824","0.005","90","","95.44","0.013","90","","6422.2","1.6","160","2","160","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H76 F6 Fe N8 O11.5 S2 -","- C58 H76 F6 Fe N8 O11.5 S2 -","- C232 H304 F24 Fe4 N32 O46 S8 -","4","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.0627","0.053","","","0.1251","0.1313","","","","","","1.147","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119986","8.4422","0.0019","8.957","0.001","19.625","0.003","91.472","0.01","94.216","0.014","105.129","0.011","1427.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H29 Cl3 N4 O Sn -","- C27 H29 Cl3 N4 O Sn -","- C54 H58 Cl6 N8 O2 Sn2 -","2","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.0546","0.0437","","","0.0946","0.1012","","","","","","1.077","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119987","10.965","0.006","15.158","0.006","13.673","0.006","90","","104.57","0.03","90","","2199.5","1.8","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Cl4 Cu2 N8 O2 -","- C42 H48 Cl4 Cu2 N8 O2 -","- C84 H96 Cl8 Cu4 N16 O4 -","2","0.5","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.0944","0.0595","","","0.1486","0.168","","","","","","0.963","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119988","7.8121","0.0005","19.5434","0.001","21.1329","0.0011","90","","95.422","0.005","90","","3212","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 F10 N4 O Zn -","- C33 H24 F10 N4 O Zn -","- C132 H96 F40 N16 O4 Zn4 -","4","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","1.54178","CuKα","","0.0515","0.0433","","","0.1188","0.1271","","","","","","1.042","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119989","11.7685","0.0002","12.2958","0.0002","13.1428","0.0002","102.672","0.001","109.055","0.001","111.06","0.001","1550.51","0.05","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H70 Ag2 F12 N10 P2 -","- C60 H70 Ag2 F12 N10 P2 -","- C60 H70 Ag2 F12 N10 P2 -","1","0.5","","Ying-Feng Han; Guo-Xin Jin; F. Ekkehardt Hahn","Postsynthetic Modification of Dicarbene-Derived Metallacycles via Photochemical [2 + 2] Cycloaddition","Journal of the American Chemical Society","2013","135","","9263","9266","10.1021/ja4032067","","","0.71073","MoKα","","0.051","0.0434","","","0.1132","0.1197","","","","","","1.035","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119990","9.0716","0.0004","41.7167","0.0017","14.2731","0.0006","90","","100.183","0.002","90","","5316.4","0.4","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 Au2 Cl2 N8 O8 -","- C48 H48 Au2 Cl2 N8 O8 -","- C192 H192 Au8 Cl8 N32 O32 -","4","1","","Ying-Feng Han; Guo-Xin Jin; F. Ekkehardt Hahn","Postsynthetic Modification of Dicarbene-Derived Metallacycles via Photochemical [2 + 2] Cycloaddition","Journal of the American Chemical Society","2013","135","","9263","9266","10.1021/ja4032067","","","0.71073","MoKα","","0.0866","0.0645","","","0.1877","0.1982","","","","","","1.03","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119991","11.8465","0.0001","15.0775","0.0002","17.2543","0.0002","78.476","0.001","78.918","0.001","83.913","0.001","2956.11","0.06","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H67 Au2 F12 N9 P2 -","- C58 H64 Au2 F12 N9 P2 -","- C116 H128 Au4 F24 N18 P4 -","2","1","","Ying-Feng Han; Guo-Xin Jin; F. Ekkehardt Hahn","Postsynthetic Modification of Dicarbene-Derived Metallacycles via Photochemical [2 + 2] Cycloaddition","Journal of the American Chemical Society","2013","135","","9263","9266","10.1021/ja4032067","","","0.71073","MoKα","","0.068","0.0433","","","0.0994","0.113","","","","","","1.04","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119992","9.2434","0.0005","9.3136","0.0005","14.3104","0.0008","90","","95.331","0.001","90","","1226.64","0.12","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H27 Br O3 -","- C28 H27 Br O3 -","- C56 H54 Br2 O6 -","2","1","","Robert Panish; Srinivasa R. Chintala; David T. Boruta; Yinzhi Fang; Michael T. Taylor; Joseph M. Fox","Enantioselective Synthesis of Cyclobutanes via Sequential Rh-catalyzed Bicyclobutanation/Cu-catalyzed Homoconjugate Addition","Journal of the American Chemical Society","2013","135","","9283","9286","10.1021/ja403811t","","","0.71073","MoKα","","0.0464","0.0349","","","0.0745","0.0791","","","","","","1.023","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119993","15.7407","0.0006","15.7841","0.0006","19.5588","0.0008","85.53","0.003","71.368","0.002","61.411","0.002","4026.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H62 Cu5 Na2 O16 S7 -","- C74 H62 Cu5 Na2 O16 S7 -","- C148 H124 Cu10 Na4 O32 S14 -","2","1","","Christopher Uyeda; Yichen Tan; Gregory C. Fu; Jonas C. Peters","A New Family of Nucleophiles for Photoinduced, Copper-Catalyzed Cross-Couplings via Single-Electron Transfer: Reactions of Thiols with Aryl Halides Under Mild Conditions (O ° C)","Journal of the American Chemical Society","2013","135","","9548","9552","10.1021/ja404050f","","","0.71073","MoKα","","0.2124","0.1403","","","0.3776","0.4232","","","","","","1.027","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119994","35.251","0.003","8.861","0.001","26.926","0.002","90","","116.661","0.004","90","","7516.3","1.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C73 H112 N12 O7 -","- C66 H84 N12 -","- C264 H336 N48 -","4","0.5","","Kim E. Jelfs; Edward G. B. Eden; Jamie L. Culshaw; Stephen Shakespeare; Edward O. Pyzer-Knapp; Hugh P. G. Thompson; John Bacsa; Graeme M. Day; Dave J. Adams; Andrew I. Cooper","In silico Design of Supramolecules from Their Precursors: Odd-Even Effects in Cage-Forming Reactions","Journal of the American Chemical Society","2013","135","","9307","9310","10.1021/ja404253j","","","0.71073","MoKα","","0.1474","0.0998","","","0.202","0.2197","","","","","","1.071","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119995","31.539","0.006","8.3673","0.0008","10.2441","0.0009","90","","97.164","0.008","90","","2682.3","0.6","295","2","295","2","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N2 -","- C34 H32 N2 -","- C136 H128 N8 -","4","0.5","","Cyprien Lemouchi; Konstantinos Iliopoulos; Leokadiya Zorina; Sergey Simonov; Pawel Wzietek; Thomas Cauchy; Antonio Rodríguez-Fortea; Enric Canadell; Jiří Kaleta; Josef Michl; Denis Gindre; Michael Chrysos; Patrick Batail","Crystalline Arrays of Pairs of Molecular Rotors: Correlated Motion, Rotational Barriers, and Space-Inversion Symmetry Breaking Due to Conformational Mutations","Journal of the American Chemical Society","2013","135","","9366","9376","10.1021/ja4044517","","","0.71073","MoKα","","0.1662","0.0748","","","0.1632","0.2017","","","","","","1.002","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119996","31.3333","0.0016","8.3151","0.0005","10.2204","0.0009","90","","96.3","0.005","90","","2646.7","0.3","200","1","200","1","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N2 -","- C34 H32 N2 -","- C136 H128 N8 -","4","0.5","","Cyprien Lemouchi; Konstantinos Iliopoulos; Leokadiya Zorina; Sergey Simonov; Pawel Wzietek; Thomas Cauchy; Antonio Rodríguez-Fortea; Enric Canadell; Jiří Kaleta; Josef Michl; Denis Gindre; Michael Chrysos; Patrick Batail","Crystalline Arrays of Pairs of Molecular Rotors: Correlated Motion, Rotational Barriers, and Space-Inversion Symmetry Breaking Due to Conformational Mutations","Journal of the American Chemical Society","2013","135","","9366","9376","10.1021/ja4044517","","","0.71073","MoKα","","0.127","0.0697","","","0.1657","0.2001","","","","","","1.018","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119997","14.553","0.004","14.752","0.003","17.366","0.004","90","","106.167","0.0008","90","","3580.8","1.5","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","6,13-Bis(1,8-dichloro-4,5-dimesityloxyanthr-9-yl)- 6,13-dihydro-6,13-diboraanthracene","","- C79 H65 B2 Cl13 O4 -","- C79 H65 B2 Cl13 O4 -","- C158 H130 B4 Cl26 O8 -","2","0.5","","Chuandong Dou; Shohei Saito; Shigehiro Yamaguchi","A Pentacoordinate Boron-Containing π-Electron System with Cl-B-Cl Three-Center Four-Electron Bonds","Journal of the American Chemical Society","2013","135","","9346","9349","10.1021/ja404724f","","","0.7107","MoKα","","0.0923","0.0839","","","0.2311","0.2393","","","","","","1.055","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119998","14.436","0.006","14.773","0.006","15.043","0.006","93.3","0.005","111.392","0.006","93.171","0.005","2972","2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H66 B2 O4 -","- C76 H66 B2 O4 -","- C152 H132 B4 O8 -","2","1","","Chuandong Dou; Shohei Saito; Shigehiro Yamaguchi","A Pentacoordinate Boron-Containing π-Electron System with Cl-B-Cl Three-Center Four-Electron Bonds","Journal of the American Chemical Society","2013","135","","9346","9349","10.1021/ja404724f","","","0.7107","MoKα","","0.1043","0.0823","","","0.2201","0.239","","","","","","1.086","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119999","20.352","0.0005","15.4353","0.0004","19.6446","0.0004","90","","104.257","0.001","90","","5981.1","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 F18 Fe N11 O12 S6 -","- C46 H30 F18 Fe N11 O12 S6 -","- C184 H120 F72 Fe4 N44 O48 S24 -","4","0.5","","Robert J. Comito; Fernanda G. Finelli; David W. C. MacMillan","Enantioselective Intramolecular Aldehyde α-Alkylation with Simple Olefins: Direct Access to Homo-Ene Products","Journal of the American Chemical Society","2013","135","","9358","9361","10.1021/ja4047312","","","1.54178","CuKα","","0.0548","0.0498","","","0.1406","0.147","","","","","","0.752","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4120000","15.1553","0.0009","19.2316","0.0011","17.9082","0.0011","90","","93.999","0.002","90","","5206.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H96 N4 Ni P4 -","- C48 H96 N4 Ni P4 -","- C192 H384 N16 Ni4 P16 -","4","1","","Jenny Y. Yang; Stuart E. Smith; Tianbiao Liu; William G. Dougherty; Wesley A. Hoffert; W. Scott Kassel; M. Rakowski DuBois; Daniel L. DuBois; R. Morris Bullock","Two Pathways for Electrocatalytic Oxidation of Hydrogen by a Nickel Bis(diphosphine) Complex with Pendant Amines in the Second Coordination Sphere","Journal of the American Chemical Society","2013","135","","9700","9712","10.1021/ja400705a","","","0.71073","MoKα","","0.0714","0.0412","","","0.086","0.0963","","","","","","1.034","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120001","25.7955","0.0008","25.7955","0.0008","25.7955","0.0008","90","","90","","90","","17164.5","0.9","100","2","100","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C36 H72 B F4 N3 Ni0.75 P3 -","- C36 H72 B F4 N3 Ni0.75 P3 -","- C576 H1152 B16 F64 N48 Ni12 P48 -","16","0.333333","","Jenny Y. Yang; Stuart E. Smith; Tianbiao Liu; William G. Dougherty; Wesley A. Hoffert; W. Scott Kassel; M. Rakowski DuBois; Daniel L. DuBois; R. Morris Bullock","Two Pathways for Electrocatalytic Oxidation of Hydrogen by a Nickel Bis(diphosphine) Complex with Pendant Amines in the Second Coordination Sphere","Journal of the American Chemical Society","2013","135","","9700","9712","10.1021/ja400705a","","","0.71073","MoKα","","0.0732","0.0709","","","0.2234","0.225","","","","","","2.004","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120002","13.5841","0.0006","22.1401","0.0011","25.5216","0.0013","68.802","0.003","81.733","0.003","87.091","0.003","7082","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H97.5 B2 F8 N4.5 Ni P4 -","- C49 H97.5 B2 F8 N4.5 Ni P4 -","- C196 H390 B8 F32 N18 Ni4 P16 -","4","2","","Jenny Y. Yang; Stuart E. Smith; Tianbiao Liu; William G. Dougherty; Wesley A. Hoffert; W. Scott Kassel; M. Rakowski DuBois; Daniel L. DuBois; R. Morris Bullock","Two Pathways for Electrocatalytic Oxidation of Hydrogen by a Nickel Bis(diphosphine) Complex with Pendant Amines in the Second Coordination Sphere","Journal of the American Chemical Society","2013","135","","9700","9712","10.1021/ja400705a","","","0.71073","MoKα","","0.0929","0.0728","","","0.185","0.1913","","","","","","2.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120003","12.2797","0.0013","16.1354","0.0018","8.5089","0.001","90","","90.149","0.003","90","","1685.9","0.3","250","1","250","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br2 N2 O4 -","- C16 H16 Br2 N2 O4 -","- C64 H64 Br8 N8 O16 -","4","1","","Subhas Samanta; Andrew A. Beharry; Oleg Sadovski; Theresa M. McCormick; Amirhossein Babalhavaeji; Vince Tropepe; G. Andrew Woolley","Photoswitching Azo Compounds in Vivo with Red Light","Journal of the American Chemical Society","2013","135","","9777","9784","10.1021/ja402220t","","","0.71073","MoKα","","0.063","0.0394","","","0.0895","0.0981","","","","","","1.048","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120004","10.992","0.002","14.485","0.003","8.1333","0.0015","90","","100.717","0.004","90","","1272.4","0.4","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br2 Cl6 N2 O4 -","- C18 H18 Br2 Cl6 N2 O4 -","- C36 H36 Br4 Cl12 N4 O8 -","2","0.5","","Subhas Samanta; Andrew A. Beharry; Oleg Sadovski; Theresa M. McCormick; Amirhossein Babalhavaeji; Vince Tropepe; G. Andrew Woolley","Photoswitching Azo Compounds in Vivo with Red Light","Journal of the American Chemical Society","2013","135","","9777","9784","10.1021/ja402220t","","","0.71073","MoKα","","0.0354","0.0265","","","0.0568","0.0596","","","","","","1.03","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120005","36.643","0.005","8.7979","0.0012","19.26","0.003","90","","111.473","0.003","90","","5778.1","1.4","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 N4 O7 -","- C32 H34 N4 O7 -","- C256 H272 N32 O56 -","8","1","","Subhas Samanta; Andrew A. Beharry; Oleg Sadovski; Theresa M. McCormick; Amirhossein Babalhavaeji; Vince Tropepe; G. Andrew Woolley","Photoswitching Azo Compounds in Vivo with Red Light","Journal of the American Chemical Society","2013","135","","9777","9784","10.1021/ja402220t","","","0.71073","MoKα","","0.0863","0.0485","","","0.1167","0.1335","","","","","","1.006","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120006","42.633","0.008","22.6801","0.0018","41.556","0.006","90","","117.75","0.02","90","","35560","11","100.01","0.1","100.01","0.1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C150 H200 Au13 Cl Cu N O P8 S4 -","- C1184 H1280 Au104 Cl8 Cu32 N32 O32 P32 S64 -","- C1184 H1280 Au104 Cl8 Cu32 N32 O32 P32 S64 -","1","0.125","","Huayan Yang; Yu Wang; Jing Lei; Lei Shi; Xiaohu Wu; Ville Mäkinen; Shuichao Lin; Zichao Tang; Jian He; Hannu Häkkinen; Lansun Zheng; Nanfeng Zheng","Ligand-Stabilized Au13Cux (x= 2, 4, 8) Bimetallic Nanoclusters: Ligand Engineering to Control the Exposure of Metal Sites","Journal of the American Chemical Society","2013","135","","9568","9571","10.1021/ja402249s","","","1.5418","CuKα","","0.094","0.0723","","","0.1894","0.2047","","","","","","1.09","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4120007","16.113","0.0009","18.391","0.0008","24.9731","0.001","90.86","0.003","101.783","0.004","93.627","0.004","7227","0.6","100.01","0.1","100.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C138 H114 Au13 Cl Cu2 N6 O3 P6 S6 -","- C138 H114 Au13 Cl Cu2 N6 O3 P6 S6 -","- C276 H228 Au26 Cl2 Cu4 N12 O6 P12 S12 -","2","1","","Huayan Yang; Yu Wang; Jing Lei; Lei Shi; Xiaohu Wu; Ville Mäkinen; Shuichao Lin; Zichao Tang; Jian He; Hannu Häkkinen; Lansun Zheng; Nanfeng Zheng","Ligand-Stabilized Au13Cux (x= 2, 4, 8) Bimetallic Nanoclusters: Ligand Engineering to Control the Exposure of Metal Sites","Journal of the American Chemical Society","2013","135","","9568","9571","10.1021/ja402249s","","","1.5418","CuKα","","0.1305","0.0868","","","0.2293","0.274","","","","","","1.009","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4120008","15.462","0.003","16.278","0.003","21.093","0.004","94.71","0.03","104.64","0.03","90.33","0.03","5117.3","1.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C65 H58 Au13 Cl10.5 Cu8 N12 O3 S12 -","- C65 H58 Au13 Cl10.5 Cu8 N12 O3 S12 -","- C130 H116 Au26 Cl21 Cu16 N24 O6 S24 -","2","1","","Huayan Yang; Yu Wang; Jing Lei; Lei Shi; Xiaohu Wu; Ville Mäkinen; Shuichao Lin; Zichao Tang; Jian He; Hannu Häkkinen; Lansun Zheng; Nanfeng Zheng","Ligand-Stabilized Au13Cux (x= 2, 4, 8) Bimetallic Nanoclusters: Ligand Engineering to Control the Exposure of Metal Sites","Journal of the American Chemical Society","2013","135","","9568","9571","10.1021/ja402249s","","","0.71073","MoKα","","0.1108","0.0743","","","0.1997","0.244","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120009","8.4097","0.0012","9.3623","0.0014","16.113","0.002","82.118","0.002","79.502","0.002","84.438","0.002","1232.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","cmpd1","cmpd1","","- C21 H41 Cl N5 Ta -","- C21 H41 Cl N5 Ta -","- C42 H82 Cl2 N10 Ta2 -","2","1","","Andrew J. Keane; Peter Y. Zavalij; Lawrence R. Sita","N-N Bond Cleavage of Mid-Valent Ta(IV) Hydrazido and Hydrazidium Complexes Relevant to the Schrock Cycle for Dinitrogen Fixation","Journal of the American Chemical Society","2013","135","","9580","9583","10.1021/ja402804k","","","0.71073","MoKα","","0.0155","0.0148","","","0.0337","0.0339","","","","","","1","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120010","8.5408","0.0006","32.248","0.002","9.6684","0.0007","90","","114.138","0.001","90","","2430.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cmpd2","Ta-complex","","- C21 H40 N5 Ta -","- C21 H40 N5 Ta -","- C84 H160 N20 Ta4 -","4","1","","Andrew J. Keane; Peter Y. Zavalij; Lawrence R. Sita","N-N Bond Cleavage of Mid-Valent Ta(IV) Hydrazido and Hydrazidium Complexes Relevant to the Schrock Cycle for Dinitrogen Fixation","Journal of the American Chemical Society","2013","135","","9580","9583","10.1021/ja402804k","","","0.71073","MoKα","","0.0348","0.0331","","","0.0679","0.0686","","","","","","1","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120011","8.6584","0.0005","32.0742","0.0019","9.6122","0.0006","90","","115.062","0.001","90","","2418.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cmpd3","Ta-complex","","- C21 H42 N5 Ta -","- C21 H42 N5 Ta -","- C84 H168 N20 Ta4 -","4","1","","Andrew J. Keane; Peter Y. Zavalij; Lawrence R. Sita","N-N Bond Cleavage of Mid-Valent Ta(IV) Hydrazido and Hydrazidium Complexes Relevant to the Schrock Cycle for Dinitrogen Fixation","Journal of the American Chemical Society","2013","135","","9580","9583","10.1021/ja402804k","","","0.71073","MoKα","","0.0276","0.0237","","","0.044","0.0452","","","","","","1","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120012","8.9603","0.0003","26.6795","0.001","9.6516","0.0004","90","","92.2","0.001","90","","2305.58","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ta-complex","Ta-complex","","- C21 H40 N5 Ta -","- C21 H40 N5 Ta -","- C84 H160 N20 Ta4 -","4","1","","Andrew J. Keane; Peter Y. Zavalij; Lawrence R. Sita","N-N Bond Cleavage of Mid-Valent Ta(IV) Hydrazido and Hydrazidium Complexes Relevant to the Schrock Cycle for Dinitrogen Fixation","Journal of the American Chemical Society","2013","135","","9580","9583","10.1021/ja402804k","","","0.71073","MoKα","","0.0156","0.0145","","","0.0318","0.0322","","","","","","1","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120013","8.9354","0.0009","13.3297","0.0013","17.8137","0.0017","110.212","0.0013","92.9333","0.0014","107.098","0.0014","1875.3","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","Ta-complex","Ta-complex AK-505","","- C32 H53 Cl F3 N5 O3 S Ta -","- C32 H53 Cl F3 N5 O3 S Ta -","- C64 H106 Cl2 F6 N10 O6 S2 Ta2 -","2","1","","Andrew J. Keane; Peter Y. Zavalij; Lawrence R. Sita","N-N Bond Cleavage of Mid-Valent Ta(IV) Hydrazido and Hydrazidium Complexes Relevant to the Schrock Cycle for Dinitrogen Fixation","Journal of the American Chemical Society","2013","135","","9580","9583","10.1021/ja402804k","","","0.71073","MoKα","","0.0183","0.0171","","","0.0378","0.0381","","","","","","1.002","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120014","10.7149","0.0007","16.1159","0.0011","17.1925","0.0012","90","","95.379","0.001","90","","2955.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Ta-complex","Ta-complex","","- C23 H44 F3 N5 O3 S Ta -","- C23 H44 F3 N5 O3 S Ta -","- C92 H176 F12 N20 O12 S4 Ta4 -","4","1","","Andrew J. Keane; Peter Y. Zavalij; Lawrence R. Sita","N-N Bond Cleavage of Mid-Valent Ta(IV) Hydrazido and Hydrazidium Complexes Relevant to the Schrock Cycle for Dinitrogen Fixation","Journal of the American Chemical Society","2013","135","","9580","9583","10.1021/ja402804k","","","0.71073","MoKα","","0.0425","0.0278","","","0.0541","0.0568","","","","","","0.999","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120015","11.3498","0.0006","11.3498","0.0006","31.8364","0.0017","90","","90","","90","","4101.1","0.4","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Ta-complex","Ta-complex, AK-750","","- C38 H70 N8 Ta2 -","- C38 H70 N8 Ta2 -","- C152 H280 N32 Ta8 -","4","0.5","","Andrew J. Keane; Peter Y. Zavalij; Lawrence R. Sita","N-N Bond Cleavage of Mid-Valent Ta(IV) Hydrazido and Hydrazidium Complexes Relevant to the Schrock Cycle for Dinitrogen Fixation","Journal of the American Chemical Society","2013","135","","9580","9583","10.1021/ja402804k","","","0.71073","MoKα","","0.0145","0.0139","","","0.0312","0.0314","","","","","","1","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120016","11.1501","0.0007","11.8403","0.0008","14.9152","0.001","90","","90.438","0.001","90","","1969.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","?Ta2-complex","Ta2-complex","","- C38 H70 N8 Ta2 -","- C38 H70 N8 Ta2 -","- C76 H140 N16 Ta4 -","2","0.5","","Andrew J. Keane; Peter Y. Zavalij; Lawrence R. Sita","N-N Bond Cleavage of Mid-Valent Ta(IV) Hydrazido and Hydrazidium Complexes Relevant to the Schrock Cycle for Dinitrogen Fixation","Journal of the American Chemical Society","2013","135","","9580","9583","10.1021/ja402804k","","","0.71073","MoKα","","0.0158","0.0148","","","0.0346","0.035","","","","","","1","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120017","9.9723","0.0018","22.562","0.004","11.833","0.002","90","","104.635","0.003","90","","2576","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Ta-complex","Ta-complex, AK-747","","- C20 H36 F3 N4 O3 S Ta -","- C20 H36 F3 N4 O3 S Ta -","- C80 H144 F12 N16 O12 S4 Ta4 -","4","1","","Andrew J. Keane; Peter Y. Zavalij; Lawrence R. Sita","N-N Bond Cleavage of Mid-Valent Ta(IV) Hydrazido and Hydrazidium Complexes Relevant to the Schrock Cycle for Dinitrogen Fixation","Journal of the American Chemical Society","2013","135","","9580","9583","10.1021/ja402804k","","","0.71073","MoKα","","0.027","0.021","","","0.0399","0.0421","","","","","","1","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120018","8.3212","0.0003","22.1167","0.0008","29.02","0.0011","90","","90","","90","","5340.8","0.3","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Pr Si3 -","- C24 H39 Pr Si3 -","- C192 H312 Pr8 Si24 -","8","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0213","0.0161","","","0.0366","0.0387","","","","","","1.03","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120019","8.2454","0.0005","22.2395","0.0014","28.8097","0.0019","90","","90","","90","","5282.9","0.6","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Gd Si3 -","- C24 H39 Gd Si3 -","- C192 H312 Gd8 Si24 -","8","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0285","0.0191","","","0.0395","0.0426","","","","","","1.017","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120020","8.2228","0.0004","22.232","0.001","28.7772","0.0013","90","","90","","90","","5260.7","0.4","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Tb -","- C24 H39 Si3 Tb -","- C192 H312 Si24 Tb8 -","8","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.028","0.0214","","","0.0415","0.0431","","","","","","1.172","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120021","11.2443","0.0004","16.9952","0.0006","22.5245","0.0008","90","","90","","90","","4304.4","0.3","88","2","88","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H63 K O6 Si3 Tb -","- C36 H63 K O6 Si3 Tb -","- C144 H252 K4 O24 Si12 Tb4 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.014","0.0137","","","0.0336","0.0337","","","","","","1.054","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120022","14.4844","0.0009","22.3688","0.0014","16.1438","0.001","90","","98.5465","0.0008","90","","5172.5","0.6","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H80 K O9.5 Si3 Tb -","- C44 H80 K O9.5 Si3 Tb -","- C176 H320 K4 O38 Si12 Tb4 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0869","0.0524","","","0.134","0.1511","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120023","25.7503","0.0014","11.6143","0.0006","26.3215","0.0014","90","","104.005","0.0006","90","","7638","0.7","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H115 K2 O13.5 Si4 Tb -","- C62 H115 K2 O13.5 Si4 Tb -","- C248 H460 K8 O54 Si16 Tb4 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0299","0.0254","","","0.0669","0.0695","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120024","15.8992","0.0009","24.2949","0.0014","13.7571","0.0008","90","","91.0257","0.0008","90","","5313.1","0.5","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K N2 O7 Si3 Y -","- C46 H83 K N2 O7 Si3 Y -","- C184 H332 K4 N8 O28 Si12 Y4 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0424","0.0323","","","0.0789","0.0841","","","","","","1.03","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4120025","15.9987","0.0009","24.4707","0.0014","13.7603","0.0008","90","","90.8674","0.0006","90","","5386.5","0.5","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K N2 O7 Pr Si3 -","- C46 H83 K N2 O7 Pr Si3 -","- C184 H332 K4 N8 O28 Pr4 Si12 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0269","0.0227","","","0.0543","0.0564","","","","","","1.024","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120026","15.9191","0.0008","24.3312","0.0012","13.7559","0.0007","90","","90.9458","0.0006","90","","5327.4","0.5","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 Gd K N2 O7 Si3 -","- C46 H83 Gd K N2 O7 Si3 -","- C184 H332 Gd4 K4 N8 O28 Si12 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0349","0.0267","","","0.0657","0.0702","","","","","","1.047","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120027","15.9129","0.0008","24.3571","0.0013","13.7599","0.0007","90","","91.0302","0.0006","90","","5332.4","0.5","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K N2 O7 Si3 Tb -","- C46 H83 K N2 O7 Si3 Tb -","- C184 H332 K4 N8 O28 Si12 Tb4 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0235","0.0206","","","0.0503","0.0518","","","","","","1.031","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4120028","15.8865","0.0011","24.288","0.0017","13.7582","0.001","90","","91.0012","0.0009","90","","5307.8","0.6","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 Ho K N2 O7 Si3 -","- C46 H83 Ho K N2 O7 Si3 -","- C184 H332 Ho4 K4 N8 O28 Si12 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0242","0.0209","","","0.0528","0.0541","","","","","","1.035","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120029","15.8795","0.001","24.3388","0.0015","13.7684","0.0008","90","","91.105","0.0008","90","","5320.3","0.6","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 Er K N2 O7 Si3 -","- C46 H83 Er K N2 O7 Si3 -","- C184 H332 Er4 K4 N8 O28 Si12 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0352","0.027","","","0.0635","0.0671","","","","","","1.044","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120030","15.855","0.0006","24.2448","0.001","13.7587","0.0006","90","","91.0881","0.0005","90","","5287.9","0.4","83","2","83","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K Lu N2 O7 Si3 -","- C46 H83 K Lu N2 O7 Si3 -","- C184 H332 K4 Lu4 N8 O28 Si12 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0301","0.0224","","","0.046","0.0484","","","","","","1.046","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4120031","14.733","0.003","28.59","0.006","15.682","0.003","90","","90.04","0.03","90","","6606","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H7 Dy F18 N3 O7 S2 -","- C23 H7 Dy F18 N3 O7 S2 -","- C184 H56 Dy8 F144 N24 O56 S16 -","8","2","","Elisabeth M. Fatila; Mathieu Rouzières; Michael C. Jennings; Alan J. Lough; Rodolphe Clérac; Kathryn E. Preuss","Fine-Tuning the Single-Molecule Magnet Properties of a [Dy(III)-Radical]2 Pair","Journal of the American Chemical Society","2013","135","","9596","9599","10.1021/ja403794d","","","0.71073","MoKα","","0.1173","0.0679","","","0.1685","0.2072","","","","","","1.057","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120032","14.7789","0.0004","28.565","0.0007","15.7335","0.0004","90","","90.177","0.002","90","","6642","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H7 F18 Gd N3 O7 S2 -","- C23 H7 F18 Gd N3 O7 S2 -","- C184 H56 F144 Gd8 N24 O56 S16 -","8","2","","Elisabeth M. Fatila; Mathieu Rouzières; Michael C. Jennings; Alan J. Lough; Rodolphe Clérac; Kathryn E. Preuss","Fine-Tuning the Single-Molecule Magnet Properties of a [Dy(III)-Radical]2 Pair","Journal of the American Chemical Society","2013","135","","9596","9599","10.1021/ja403794d","","","0.71073","MoKα","","0.0555","0.045","","","0.0915","0.097","","","","","","1.215","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120033","7.3072","0.0009","5.243","0.0008","14.403","0.002","90","","91.498","0.013","90","","551.61","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hx2-DNBTO","dihydroxylammonium 3,3-dinitro-5,5-bis-1,2,4-triazole-1,1-diolate","","- C4 H8 N10 O8 -","- C4 H8 N10 O8 -","- C8 H16 N20 O16 -","2","0.5","","Alexander A. Dippold; Thomas M. Klapötke","A Study of Dinitro-bis-1,2,4-triazole-1,1'-diol and Derivatives: Design of High-Performance Insensitive Energetic Materials by the Introduction of N-Oxides","Journal of the American Chemical Society","2013","135","","9931","9938","10.1021/ja404164j","","","0.71073","MoKα","","0.0471","0.0371","","","0.0898","0.0989","","","","","","1.068","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120034","6.445","0.0009","6.668","0.0009","8.355","0.001","70.361","0.012","84.081","0.011","71.805","0.012","321.26","0.08","173","2","173","2","","","","","","","diammonium 3,3-dinitro-5,5-bis-1,2,4-triazole-1,1-diolate","4","P -1","-P 1","2","(NH4)2-DNBTO","","","- C4 H12 N10 O8 -","- C4 H12 N10 O8 -","- C4 H12 N10 O8 -","1","0.5","","Alexander A. Dippold; Thomas M. Klapötke","A Study of Dinitro-bis-1,2,4-triazole-1,1'-diol and Derivatives: Design of High-Performance Insensitive Energetic Materials by the Introduction of N-Oxides","Journal of the American Chemical Society","2013","135","","9931","9938","10.1021/ja404164j","","","0.71073","MoKα","","0.0479","0.0369","","","0.0866","0.0946","","","","","","1.058","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120035","3.7353","0.0008","8.0154","0.0018","10.311","0.002","70.73","0.02","89.21","0.017","85.998","0.018","290.69","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(N2H5)2-DNBTO","dihydrazinium 3,3-dinitro-5,5-bis-1,2,4-triazole-1,1-diolate","","- C4 H10 N12 O6 -","- C4 H10 N12 O6 -","- C4 H10 N12 O6 -","1","0.5","","Alexander A. Dippold; Thomas M. Klapötke","A Study of Dinitro-bis-1,2,4-triazole-1,1'-diol and Derivatives: Design of High-Performance Insensitive Energetic Materials by the Introduction of N-Oxides","Journal of the American Chemical Society","2013","135","","9931","9938","10.1021/ja404164j","","","0.71073","MoKα","","0.0765","0.048","","","0.1058","0.121","","","","","","1.041","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120036","3.5347","0.0012","21.663","0.005","9.173","0.003","90","","95.64","0.03","90","","699","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(G)2-DNBTO","diguanidinium 3,3-dinitro-5,5-bis-1,2,4-triazole-1,1-diolate","","- C6 H12 N14 O6 -","- C6 H12 N14 O6 -","- C12 H24 N28 O12 -","2","0.5","","Alexander A. Dippold; Thomas M. Klapötke","A Study of Dinitro-bis-1,2,4-triazole-1,1'-diol and Derivatives: Design of High-Performance Insensitive Energetic Materials by the Introduction of N-Oxides","Journal of the American Chemical Society","2013","135","","9931","9938","10.1021/ja404164j","","","0.71073","MoKα","","0.1288","0.0675","","","0.1301","0.1622","","","","","","0.992","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120037","22.093","0.005","3.6024","0.0007","19.531","0.003","90","","100.14","0.015","90","","1530.2","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(AG)2-DNBTO","di(diaminoguanidinium) 3,3-dinitro-5,5-bis-1,2,4-triazole-1,1-diolate","","- C6 H14 N16 O6 -","- C6 H14 N16 O6 -","- C24 H56 N64 O24 -","4","0.5","","Alexander A. Dippold; Thomas M. Klapötke","A Study of Dinitro-bis-1,2,4-triazole-1,1'-diol and Derivatives: Design of High-Performance Insensitive Energetic Materials by the Introduction of N-Oxides","Journal of the American Chemical Society","2013","135","","9931","9938","10.1021/ja404164j","","","0.71073","MoKα","","0.0772","0.0476","","","0.0951","0.1091","","","","","","0.962","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120038","6.1636","0.0006","5.0469","0.0004","16.7645","0.0017","90","","95.648","0.009","90","","518.96","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N8 O8 -","- C4 H6 N8 O8 -","- C8 H12 N16 O16 -","2","0.5","","Alexander A. Dippold; Thomas M. Klapötke","A Study of Dinitro-bis-1,2,4-triazole-1,1'-diol and Derivatives: Design of High-Performance Insensitive Energetic Materials by the Introduction of N-Oxides","Journal of the American Chemical Society","2013","135","","9931","9938","10.1021/ja404164j","","","0.71073","MoKα","","0.0431","0.0342","","","0.0838","0.0896","","","","","","1.054","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120039","26.168","0.005","3.542","0.0007","21.18","0.004","90","","108.7","0.03","90","","1859.5","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(TAG)2-DNBTO","di(triaminoguanidinium) 3,3-dinitro-5,5-bis-1,2,4-triazole-1,1-diolate","","- C12 H40 N40 O14 -","- C12 H40 N40 O14 -","- C24 H80 N80 O28 -","2","0.25","","Alexander A. Dippold; Thomas M. Klapötke","A Study of Dinitro-bis-1,2,4-triazole-1,1'-diol and Derivatives: Design of High-Performance Insensitive Energetic Materials by the Introduction of N-Oxides","Journal of the American Chemical Society","2013","135","","9931","9938","10.1021/ja404164j","","","0.71073","MoKα","","0.077","0.0529","","","0.1391","0.1578","","","","","","1.033","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120040","10.3826","0.0009","5.8079","0.0005","4.9429","0.0004","90","","90.072","0.004","90","","298.06","0.04","100","2","100.04","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- Ag F4 Na O4 V2 -","- Ag F4 Na O4 V2 -","- Ag2 F8 Na2 O8 V4 -","2","0.5","","Martin D. Donakowski; Arno Görne; John T. Vaughey; Kenneth R. Poeppelmeier","AgNa(VO2F2)2: A Trioxovanadium Fluoride with Unconventional Electrochemical Properties","Journal of the American Chemical Society","2013","135","","9898","9906","10.1021/ja404189t","","","0.71073","MoKα","","0.0166","0.0165","","","0.0439","0.044","","","","","","0.952","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120041","9.9951","0.0004","5.6771","0.0002","4.868","0.0002","90","","90.596","0.002","90","","276.211","0.019","100","2","99.97","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- Ag F4 Li O4 V2 -","- Ag F4 Li O4 V2 -","- Ag2 F8 Li2 O8 V4 -","2","0.5","","Martin D. Donakowski; Arno Görne; John T. Vaughey; Kenneth R. Poeppelmeier","AgNa(VO2F2)2: A Trioxovanadium Fluoride with Unconventional Electrochemical Properties","Journal of the American Chemical Society","2013","135","","9898","9906","10.1021/ja404189t","","","1.54184","CUKα","","0.02","0.0199","","","0.0539","0.0542","","","","","","1.192","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120042","8.4006","0.0001","11.4567","0.0002","13.1736","0.0002","78.692","0.001","72.13","0.001","89.492","0.001","1181.49","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3S,5R,7R,8R,11R-8-Hydroxy-3-benzyl-8-methyl-5-(4-oxo-3H-quinazolin-3-yl)- 9,10-benzo-2-oxo-1,4-diazatricyclo[5.3.1.0^4,11^]undec-9-ene","","- C29 H26 N4 O3 -","- C29 H26 N4 O3 -","- C58 H52 N8 O6 -","2","1","","N.N. Bhuvan Kumar; Olga A. Mukhina; Andrei G. Kutateladze","Photoassisted Synthesis of Enantiopure Alkaloid Mimics Possessing Unprecedented Polyheterocyclic Cores","Journal of the American Chemical Society","2013","135","","9608","9611","10.1021/ja4042109","","","0.71073","MoKα","","0.0388","0.0342","","","0.0891","0.094","","","","","","0.999","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120043","12.8718","0.0006","17.5734","0.0008","11.9558","0.0006","90","","114.932","0.001","90","","2452.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","9R,10R,14S,18R-9-Hydroxy-14-methyl-5-(4-methylbenzenesulfonylimino)- 1,17-benzo-15-oxo-13,16-diazapentacyclo[7.7.1.1^10,16^.0^13,18^.0^5,17^] octadec-1,3,5(17)-triene","","- C24 H25 N3 O4 S -","- C24 H25 N3 O4 S -","- C96 H100 N12 O16 S4 -","4","1","","N.N. Bhuvan Kumar; Olga A. Mukhina; Andrei G. Kutateladze","Photoassisted Synthesis of Enantiopure Alkaloid Mimics Possessing Unprecedented Polyheterocyclic Cores","Journal of the American Chemical Society","2013","135","","9608","9611","10.1021/ja4042109","","","0.71073","MoKα","","0.0516","0.0423","","","0.1664","0.1831","","","","","","0.779","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120044","9.5559","0.0005","11.9955","0.0007","13.3585","0.0007","96.649","0.003","109.34","0.002","100.316","0.003","1395.98","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","9R,10R,14S,18R-9-Hydroxy-14-(4-(1H-pyrrol-1-yl)butyl)-5- (4-methylbenzenesulfonylimino)-1,17-benzo-15-oxo-13,16- diazapentacyclo[7.7.1.110,16.013,18.05,17]octadec- 1,3,5(17)-triene","","- C31 H34 N4 O4 S -","- C31 H34 N4 O4 S -","- C62 H68 N8 O8 S2 -","2","1","","N.N. Bhuvan Kumar; Olga A. Mukhina; Andrei G. Kutateladze","Photoassisted Synthesis of Enantiopure Alkaloid Mimics Possessing Unprecedented Polyheterocyclic Cores","Journal of the American Chemical Society","2013","135","","9608","9611","10.1021/ja4042109","","","0.71073","MoKα","","0.055","0.0499","","","0.2249","0.245","","","","","","1.161","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120045","9.7606","0.0004","11.2605","0.0004","13.1835","0.0005","104.075","0.002","110.344","0.002","93.56","0.002","1300.57","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3R,7S,8S,11S-8-Hydroxy-3-phenyl-5-(4-methylbenzenesulfonylimino) -9,10-benzo-2-oxo-1,4-diazatricyclo[5.3.1.0^4,11^]undec-9-ene","","- C26 H23 N3 O4 S -","- C26 H23 N3 O4 S -","- C52 H46 N6 O8 S2 -","2","1","","N.N. Bhuvan Kumar; Olga A. Mukhina; Andrei G. Kutateladze","Photoassisted Synthesis of Enantiopure Alkaloid Mimics Possessing Unprecedented Polyheterocyclic Cores","Journal of the American Chemical Society","2013","135","","9608","9611","10.1021/ja4042109","","","0.71073","MoKα","","0.0401","0.0372","","","0.1063","0.1087","","","","","","1.062","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120046","8.6992","0.0006","11.7188","0.0008","12.3001","0.0008","75.439","0.003","87.536","0.003","76.285","0.003","1178.86","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3S,7R,8S,11R-8-Hydroxy-3-benzyl-5-(4-methylbenzenesulfonylimino)- 9,10-benzo-2-oxo-1,4-diazatricyclo[5.3.1.0^4,11^]undec-9-ene","","- C27 H25 N3 O4 S -","- C27 H25 N3 O4 S -","- C54 H50 N6 O8 S2 -","2","1","","N.N. Bhuvan Kumar; Olga A. Mukhina; Andrei G. Kutateladze","Photoassisted Synthesis of Enantiopure Alkaloid Mimics Possessing Unprecedented Polyheterocyclic Cores","Journal of the American Chemical Society","2013","135","","9608","9611","10.1021/ja4042109","","","0.71073","MoKα","","0.04","0.0348","","","0.0968","0.1026","","","","","","0.945","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120047","9.1066","0.0003","12.446","0.0003","18.9802","0.0005","73.664","0.001","86.786","0.001","69.924","0.001","1936.99","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Z,Z-8-Hydroxy-8-methyl-5-(4-methylbenzenesulfonylimino)- 9,10-benzo-2-oxo-1,4 diazatricyclo[5.3.1.0^4,11^]undec-9-ene","","- C21 H21 N3 O4 S -","- C21 H21 N3 O4 S -","- C84 H84 N12 O16 S4 -","4","2","","N.N. Bhuvan Kumar; Olga A. Mukhina; Andrei G. Kutateladze","Photoassisted Synthesis of Enantiopure Alkaloid Mimics Possessing Unprecedented Polyheterocyclic Cores","Journal of the American Chemical Society","2013","135","","9608","9611","10.1021/ja4042109","","","0.71073","MoKα","","0.0398","0.0362","","","0.1043","0.1091","","","","","","0.945","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120048","9.6538","0.0005","11.8172","0.0006","12.9212","0.0006","102.926","0.002","109.315","0.002","94.956","0.002","1335.07","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3R,7S,8S,11S-8-Hydroxy-8-methyl-3-phenyl-5-(4-methylbenzenesulfonylimino)- 9,10-benzo-2-oxo-1,4-diazatricyclo[5.3.1.0^4,11^]undec-9-ene","","- C27 H25 N3 O4 S -","- C27 H25 N3 O4 S -","- C54 H50 N6 O8 S2 -","2","1","","N.N. Bhuvan Kumar; Olga A. Mukhina; Andrei G. Kutateladze","Photoassisted Synthesis of Enantiopure Alkaloid Mimics Possessing Unprecedented Polyheterocyclic Cores","Journal of the American Chemical Society","2013","135","","9608","9611","10.1021/ja4042109","","","0.71073","MoKα","","0.0403","0.0364","","","0.0989","0.1016","","","","","","1.067","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120049","9.787","0.0004","11.8447","0.0004","12.9653","0.0005","79.792","0.002","72.436","0.002","83.902","0.002","1408.01","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3S,7R,8R,11R-8-Hydroxy-3-benzyl-8-methyl-5-(4-methylbenzenesulfonylimino)- 9,10-benzo-2-oxo-1,4 diazatricyclo[5.3.1.0^4,11^]undec-9-ene","","- C28 H27 N3 O4 S -","- C28 H27 N3 O4 S -","- C56 H54 N6 O8 S2 -","2","1","","N.N. Bhuvan Kumar; Olga A. Mukhina; Andrei G. Kutateladze","Photoassisted Synthesis of Enantiopure Alkaloid Mimics Possessing Unprecedented Polyheterocyclic Cores","Journal of the American Chemical Society","2013","135","","9608","9611","10.1021/ja4042109","","","0.71073","MoKα","","0.0404","0.0376","","","0.0883","0.0899","","","","","","0.939","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120050","8.8046","0.0003","30.0897","0.0011","9.3901","0.0003","90","","105.62","0.002","90","","2395.82","0.14","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3S,7R,8R,11R-8-Hydroxy-3-benzyl-8-methyl-5-(4-chlorobenzenesulfonylimino)- 9,10-benzo-2-oxo-1,4 diazatricyclo[5.3.1.0^4,11^]undec-9-ene","","- C27 H24 Cl N3 O4 S -","- C27 H24 Cl N3 O4 S -","- C108 H96 Cl4 N12 O16 S4 -","4","1","","N.N. Bhuvan Kumar; Olga A. Mukhina; Andrei G. Kutateladze","Photoassisted Synthesis of Enantiopure Alkaloid Mimics Possessing Unprecedented Polyheterocyclic Cores","Journal of the American Chemical Society","2013","135","","9608","9611","10.1021/ja4042109","","","0.71073","MoKα","","0.0433","0.0412","","","0.1052","0.1069","","","","","","1.078","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120051","11.7152","0.0007","9.8987","0.0006","16.2461","0.001","90","","97.67","0.003","90","","1867.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N3 O2 -","- C22 H25 N3 O2 -","- C88 H100 N12 O8 -","4","1","","N.N. Bhuvan Kumar; Olga A. Mukhina; Andrei G. Kutateladze","Photoassisted Synthesis of Enantiopure Alkaloid Mimics Possessing Unprecedented Polyheterocyclic Cores","Journal of the American Chemical Society","2013","135","","9608","9611","10.1021/ja4042109","","","0.71073","MoKα","","0.0458","0.0427","","","0.2094","0.2281","","","","","","1.109","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120052","9.156","0.003","32.885","0.011","27.081","0.009","90","","92.749","0.009","90","","8145","5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77.25 H55 B F24 N11 O0.25 -","- C77.25 H54 B F24 N11 O0.25 -","- C309 H216 B4 F96 N44 O -","4","1","","David A. Leigh; Craig C. Robertson; Alexandra M. Z. Slawin; Patrick I. T. Thomson","AAAA-DDDD Quadruple Hydrogen-Bond Arrays Featuring NH...N and CH...N Hydrogen Bonds","Journal of the American Chemical Society","2013","135","","9939","9943","10.1021/ja404504m","","","1.54178","CuKα","","0.2981","0.2181","","","0.4941","0.5297","","","","","","1.584","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120053","15.5861","0.0006","19.4893","0.0007","24.7864","0.0011","90","","90","","90","","7529.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33.5 H55 N3 O6.5 Si -","- C33.5 H55 N3 O6.5 Si -","- C268 H440 N24 O52 Si8 -","8","2","","Mayumi Kudo; Victor Maurizot; Brice Kauffmann; Aya Tanatani; Ivan Huc","Folding of a Linear Array of α-Amino Acids within a Helical Aromatic Oligoamide Frame","Journal of the American Chemical Society","2013","135","","9628","9631","10.1021/ja404656z","","","1.54178","CuKα","","0.1025","0.0871","","","0.1917","0.2018","","","","","","0.971","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120054","12.6657","0.0008","13.5105","0.0009","15.0507","0.0009","102.063","0.004","110.663","0.004","96.127","0.005","2310.3","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H60 N5 O8 Si -","- C44 H60 N5 O8 Si -","- C88 H120 N10 O16 Si2 -","2","1","","Mayumi Kudo; Victor Maurizot; Brice Kauffmann; Aya Tanatani; Ivan Huc","Folding of a Linear Array of α-Amino Acids within a Helical Aromatic Oligoamide Frame","Journal of the American Chemical Society","2013","135","","9628","9631","10.1021/ja404656z","","","1.54178","CuKα","","0.0673","0.0619","","","0.1626","0.17","","","","","","1.106","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120055","15.9947","0.0006","18.9533","0.0007","29.923","0.0012","97.74","0.002","92.316","0.002","112.924","0.002","8235.7","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C146 H180 N20 O24 Si -","- C146 H180 N20 O24 Si -","- C292 H360 N40 O48 Si2 -","2","1","","Mayumi Kudo; Victor Maurizot; Brice Kauffmann; Aya Tanatani; Ivan Huc","Folding of a Linear Array of α-Amino Acids within a Helical Aromatic Oligoamide Frame","Journal of the American Chemical Society","2013","135","","9628","9631","10.1021/ja404656z","","","1.54178","CuKα","","0.0965","0.0873","","","0.251","0.2596","","","","","","1.073","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120056","9.0547","0.0002","33.4719","0.0008","13.5746","0.0004","90","","106.867","0.002","90","","3937.18","0.18","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H55.97 Al Cl0.03 N3 O -","- C47 H55.967 Al Cl0.033 N3 O -","- C188 H223.868 Al4 Cl0.132 N12 O4 -","4","1","","Thomas W. Myers; Louise A. Berben","Aluminum-Ligand Cooperative N-H Bond Activation and an Example of Dehydrogenative Coupling","Journal of the American Chemical Society","2013","135","","9988","9990","10.1021/ja4032874","","","1.54178","CuKα","","0.0901","0.0713","","","0.1799","0.1905","","","","","","0.942","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120057","9.563","0.0001","26.0112","0.0003","20.3273","0.0002","90","","113.367","0.001","90","","4641.61","0.09","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H67 Al N4 -","- C55 H67 Al N4 -","- C220 H268 Al4 N16 -","4","1","","Thomas W. Myers; Louise A. Berben","Aluminum-Ligand Cooperative N-H Bond Activation and an Example of Dehydrogenative Coupling","Journal of the American Chemical Society","2013","135","","9988","9990","10.1021/ja4032874","","","1.54178","CuKα","","0.0696","0.0627","","","0.1614","0.1675","","","","","","0.968","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120058","11.2186","0.0008","11.9316","0.0007","19.0121","0.0012","82.302","0.004","75.827","0.004","83.803","0.005","2437.7","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H72 Al N4 -","- C58 H72 Al N4 -","- C116 H144 Al2 N8 -","2","1","","Thomas W. Myers; Louise A. Berben","Aluminum-Ligand Cooperative N-H Bond Activation and an Example of Dehydrogenative Coupling","Journal of the American Chemical Society","2013","135","","9988","9990","10.1021/ja4032874","","","1.54178","CuKα","","0.0846","0.0683","","","0.1752","0.1921","","","","","","1.035","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120059","17.7861","0.0008","25.467","0.0011","16.9855","0.0007","90","","96.057","0.001","90","","7650.8","0.6","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H122 S2 Sn -","- C84 H122 S2 Sn -","- C336 H488 S8 Sn4 -","4","0.5","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0569","0.0385","","","0.0778","0.0823","","","","","","1.049","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120060","24.224","0.003","16.7573","0.0018","16.1341","0.0017","90","","100.539","0.001","90","","6438.8","1.3","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H98 Ge O3 S2 -","- C72 H98 Ge O3 S2 -","- C288 H392 Ge4 O12 S8 -","4","0.5","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0415","0.034","","","0.092","0.095","","","","","","1.09","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120061","23.744","0.002","16.4508","0.0015","16.9341","0.0016","90","","90","","90","","6614.6","1","90","2","90","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C74 H96 K2 O2 S2 -","- C73.5 H96 K2 O2 S2 -","- C294 H384 K8 O8 S8 -","4","","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.066","0.0568","","","0.1498","0.1602","","","","","","1.083","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120062","17.634","0.0005","25.4852","0.0008","16.981","0.0005","90","","95.557","0.002","90","","7595.5","0.4","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H122 Ge S2 -","- C84 H122 Ge S2 -","- C336 H488 Ge4 S8 -","4","0.5","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0486","0.0369","","","0.0941","0.0991","","","","","","1.056","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120063","13.7419","0.0007","18.3354","0.0009","16.0515","0.0008","90","","95.268","0.001","90","","4027.3","0.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 S2 Sn -","- C48 H50 S2 Sn -","- C192 H200 S8 Sn4 -","4","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0333","0.0256","","","0.0642","0.0673","","","","","","1.028","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120064","13.5253","0.0007","18.4563","0.001","16.0363","0.0009","90","","95.412","0.003","90","","3985.2","0.4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 Ge S2 -","- C48 H50 Ge S2 -","- C192 H200 Ge4 S8 -","4","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0406","0.0315","","","0.0796","0.0837","","","","","","1.041","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120065","26.261","0.008","18.385","0.005","41.86","0.015","90","","106.844","0.004","90","","19343","11","90","2","90","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C108 H147 Ge1.5 S3 -","- C108 H147 Ge1.5 S3 -","- C864 H1176 Ge12 S24 -","8","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.2039","0.1622","","","0.3875","0.4228","","","","","","1.059","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120066","15.4658","0.0014","16.1684","0.0015","20.5084","0.0019","90","","91.888","0.005","90","","5125.5","0.8","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H74 Se2 -","- C60 H74 Se2 -","- C240 H296 Se8 -","4","0.5","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0221","0.0207","","","0.0548","0.0556","","","","","","1.056","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120067","18.9259","0.0007","20.5025","0.0008","21.5699","0.0009","63.6843","0.0019","71.606","0.002","86.6429","0.0019","7086.4","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H106 S2 Sn -","- C79 H106 S2 Sn -","- C316 H424 S8 Sn4 -","4","2","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0419","0.0307","","","0.0766","0.083","","","","","","1.011","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120068","9.2869","0.0013","12.812","0.002","13.0226","0.0018","110.151","0.003","98.376","0.002","109.783","0.002","1307.1","0.3","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H74 Se3 -","- C60 H74 Se3 -","- C60 H74 Se3 -","1","0.5","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0662","0.0605","","","0.1633","0.1699","","","","","","1.079","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120069","18.9118","0.0019","18.2344","0.0018","18.9591","0.0019","90","","90.707","0.005","90","","6537.5","1.1","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H98 Pb S2 -","- C72 H98 Pb S2 -","- C288 H392 Pb4 S8 -","4","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0234","0.0189","","","0.0446","0.0462","","","","","","1.039","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120070","17.9394","0.0017","17.0457","0.0017","31.175","0.003","90","","91.243","0.005","90","","9530.7","1.6","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C108 H146 Pb S2 -","- C108 H146 Pb S2 -","- C432 H584 Pb4 S8 -","4","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.024","0.0205","","","0.05","0.0519","","","","","","1.023","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120071","21.3874","0.0012","74.376","0.004","14.0041","0.0008","90","","90","","90","","22276","2","90","2","90","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C60 H74.1 Cl0.1 Se1.86 Sn0.9 -","- C60 H74.038 Cl0.1 Se1.862 Sn0.9 -","- C960 H1184.61 Cl1.6 Se29.792 Sn14.4 -","16","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0259","0.0239","","","0.0501","0.0507","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120072","18.7861","0.0017","16.3476","0.0015","34.614","0.003","90","","90","","90","","10630.2","1.7","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C60 H74 Ge Se2 -","- C60 H74 Ge Se2 -","- C480 H592 Ge8 Se16 -","8","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0371","0.0298","","","0.0709","0.073","","","","","","1.042","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120073","26.0349","0.001","12.9722","0.0005","22.5882","0.0009","90","","98.173","0.002","90","","7551.2","0.5","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H112 Br2 S2 Si -","- C78 H112 Br2 S2 Si -","- C312 H448 Br8 S8 Si4 -","4","0.5","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","1.54178","CuKα","","0.0387","0.0359","","","0.0946","0.0964","","","","","","1.044","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120074","26.2117","0.0018","18.3555","0.0013","41.77","0.004","90","","106.83","0.004","90","","19236","3","90","2","90","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C144 H196 S4 Si2 -","- C108.5 S4.22 Si2.35 -","- C868 S33.76 Si18.8 -","8","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","1.54178","CuKα","","0.285","0.2423","","","0.5481","0.5918","","","","","","2.42","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120075","16.7748","0.0008","16.8855","0.0008","47.454","0.002","90","","94.862","0.002","90","","13393","1.1","90","2","90","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C146 H202 Br0.1 K1.9 O10 S4 Si -","- C146 H202 Br0.1 K1.9 O10 S4 Si -","- C584 H808 Br0.4 K7.6 O40 S16 Si4 -","4","0.5","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","1.54178","CuKα","","0.0588","0.0545","","","0.1382","0.142","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120076","15.2876","0.0004","13.9974","0.0003","27.6242","0.0006","90","","92.86","0.001","90","","5903.8","0.2","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H82 Br2 O1.18 S2 Si -","- C64 H82 Br2 O1.18 S2 Si -","- C256 H328 Br8 O4.72 S8 Si4 -","4","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","1.54178","CuKα","","0.0378","0.0348","","","0.0931","0.095","","","","","","1.024","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120077","24.4858","0.0016","16.6035","0.0011","16.1184","0.0011","90","","100.211","0.001","90","","6449.1","0.7","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H98 O3 S2 Sn -","- C72 H98 O3 S2 Sn -","- C288 H392 O12 S8 Sn4 -","4","0.5","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0652","0.0512","","","0.1268","0.1322","","","","","","1.058","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120078","19.7269","0.0004","19.7269","0.0004","19.7269","0.0004","90","","90","","90","","7676.7","0.3","100","2","100","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C139 H122 Br12 Cl14 N12 O12 -","- C139 H121.92 Br12 Cl14.04 N12 O12 -","- C278 H243.84 Br24 Cl28.08 N24 O24 -","2","0.0833333","","Jamie L. Culshaw; Ge Cheng; Marc Schmidtmann; Tom Hasell; Ming Liu; Dave J. Adams; Andrew I. Cooper","Dodecaamide Cages: Organic 12-Arm Building Blocks for Supramolecular Chemistry","Journal of the American Chemical Society","2013","135","","10007","10010","10.1021/ja403987j","","","0.71073","MoKα","","0.0633","0.0587","","","0.1619","0.1667","","","","","","1.041","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120079","20.3289","0.0013","20.3289","0.0013","20.3289","0.0013","90","","90","","90","","8401.2","0.9","100","2","100","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- C187 H151 Cl21 N12 O12 -","- C187.08 H162.24 Cl19.8 N12 O12 -","- C374.16 H324.48 Cl39.6 N24 O24 -","2","0.0833333","","Jamie L. Culshaw; Ge Cheng; Marc Schmidtmann; Tom Hasell; Ming Liu; Dave J. Adams; Andrew I. Cooper","Dodecaamide Cages: Organic 12-Arm Building Blocks for Supramolecular Chemistry","Journal of the American Chemical Society","2013","135","","10007","10010","10.1021/ja403987j","","","0.71073","MoKα","","0.1182","0.0933","","","0.2989","0.3347","","","","","","1.402","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120080","33.479","0.003","33.479","0.003","42.914","0.005","90","","90","","90","","48100","8","90","2","90","2","","","","","","","","5","I -4","I -4","82","","","","- C199.5 H259.5 Cl58.5 N12 O12 -","- C200.15 H258.75 Cl58.2 N12 O12 -","- C1601.2 H2070 Cl465.6 N96 O96 -","8","1","","Jamie L. Culshaw; Ge Cheng; Marc Schmidtmann; Tom Hasell; Ming Liu; Dave J. Adams; Andrew I. Cooper","Dodecaamide Cages: Organic 12-Arm Building Blocks for Supramolecular Chemistry","Journal of the American Chemical Society","2013","135","","10007","10010","10.1021/ja403987j","","","0.71073","MoKα","","0.1448","0.1282","","","0.3268","0.3497","","","","","","1.529","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120081","20.3301","0.0007","20.3301","0.0007","20.3301","0.0007","90","","90","","90","","8402.7","0.5","100","2","100","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C108 H146 Br12 Cl36 N12 O13 -","- C108 H144 Br12 Cl36 N12 O13 -","- C216 H288 Br24 Cl72 N24 O26 -","2","0.0833333","","Jamie L. Culshaw; Ge Cheng; Marc Schmidtmann; Tom Hasell; Ming Liu; Dave J. Adams; Andrew I. Cooper","Dodecaamide Cages: Organic 12-Arm Building Blocks for Supramolecular Chemistry","Journal of the American Chemical Society","2013","135","","10007","10010","10.1021/ja403987j","","","0.71073","MoKα","","0.056","0.0446","","","0.117","0.1252","","","","","","1.049","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120082","16.9903","0.0014","24.271","0.002","33.979","0.003","105.701","0.004","98.249","0.004","91.642","0.004","13316","2","152","2","152","2","","","","","","","","4","P -1","-P 1","2","Au28(SR)20","","","- C200 H260 Au28 S20 -","- C160 Au28 S20 -","- C320 Au56 S40 -","2","1","","Chenjie Zeng; Tao Li; Anindita Das; Nathaniel L. Rosi; Rongchao Jin","Chiral Structure of Thiolate-Protected 28-Gold-Atom Nanocluster Determined by X-ray Crystallography","Journal of the American Chemical Society","2013","135","","10011","10013","10.1021/ja404058q","","","1.54178","CuKα","","0.1749","0.1482","","","0.3614","0.3822","","","","","","1.093","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120083","9.2307","0.0005","24.102","0.005","17.767","0.003","90","","96.122","0.008","90","","3930.2","1.1","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H28 Cl4 N4 S4 -","- C42 H28 Cl4 N4 S4 -","- C168 H112 Cl16 N16 S16 -","4","0.5","","Sébastien Bivaud; Sébastien Goeb; Vincent Croué; Paul I. Dron; Magali Allain; Marc Sallé","Self-Assembled Containers Based on Extended Tetrathiafulvalene","Journal of the American Chemical Society","2013","135","","10018","10021","10.1021/ja404072w","","x-ray","0.71073","MoKα","","0.0912","0.0514","","","0.1139","0.1404","","","","","","1.07","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120084","17.569","0.002","18.282","0.004","22.749","0.004","108.95","0.01","104.66","0.01","101.62","0.01","6357","2","160","2","160","2","","","","","","","","9","P -1","-P 1","2","","","","- C240 H224 F24 Fe4 N8 O40 P8 Pd4 S16 -","- C240 H160 F24 Fe4 N8 O40 P8 Pd4 S16 -","- C240 H160 F24 Fe4 N8 O40 P8 Pd4 S16 -","1","0.5","","Sébastien Bivaud; Sébastien Goeb; Vincent Croué; Paul I. Dron; Magali Allain; Marc Sallé","Self-Assembled Containers Based on Extended Tetrathiafulvalene","Journal of the American Chemical Society","2013","135","","10018","10021","10.1021/ja404072w","","x-ray","0.71073","MoKα","","0.1884","0.0875","","","0.2034","0.277","","","","","","1.075","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120085","20.05","0.007","23.801","0.001","29.706","0.005","90","","109.59","0.02","90","","13355","5","180","2","180","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C216 H160 Fe4 N8 O68 P8 Pt4 S8 -","- C216 H160 Fe4 N8 O68 P8 Pt4 S8 -","- C432 H320 Fe8 N16 O136 P16 Pt8 S16 -","2","0.5","","Sébastien Bivaud; Sébastien Goeb; Vincent Croué; Paul I. Dron; Magali Allain; Marc Sallé","Self-Assembled Containers Based on Extended Tetrathiafulvalene","Journal of the American Chemical Society","2013","135","","10018","10021","10.1021/ja404072w","","x-ray","0.71073","MoKα","","0.4583","0.1559","","","0.349","0.5275","","","","","","1.151","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120086","12.7726","0.0006","9.604","0.0003","12.9081","0.0007","90","","106.88","0.005","90","","1515.19","0.13","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H27 Cl3 N2 O5 S -","- C31 H27 Cl3 N2 O5 S -","- C62 H54 Cl6 N4 O10 S2 -","2","1","","Shunxi Dong; Xiaohua Liu; Yin Zhu; Peng He; Lili Lin; Xiaoming Feng","Organocatalytic Oxyamination of Azlactones: Kinetic Resolution of Oxaziridines and Asymmetric Synthesis of Oxazolin-4-ones","Journal of the American Chemical Society","2013","135","","10026","10029","10.1021/ja404379n","","","0.7107","MoKα","","0.0702","0.0493","","","0.0999","0.1135","","","","","","1.036","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120087","20.254","0.003","20.254","0.003","18.001","0.004","90","","90","","90","","7384","2","173","2","173","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C52 H80 B2 F8 N8 O2 -","- C52 H80 B2 F8 N8 O2 -","- C208 H320 B8 F32 N32 O8 -","4","0.5","","Shunxi Dong; Xiaohua Liu; Yin Zhu; Peng He; Lili Lin; Xiaoming Feng","Organocatalytic Oxyamination of Azlactones: Kinetic Resolution of Oxaziridines and Asymmetric Synthesis of Oxazolin-4-ones","Journal of the American Chemical Society","2013","135","","10026","10029","10.1021/ja404379n","","","0.71073","MoKα","","0.1459","0.1263","","","0.3066","0.3154","","","","","","1.804","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120088","11.0782","0.0005","27.9893","0.0011","10.2073","0.0004","90","","103.793","0.002","90","","3073.7","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 N2 O3 Ru -","- C32 H46 N2 O3 Ru -","- C128 H184 N8 O12 Ru4 -","4","1","","Lauren E. Rosebrugh; Vanessa M. Marx; Benjamin K. Keitz; Robert H. Grubbs","Synthesis of Highly Cis, Syndiotactic Polymers via Ring-Opening Metathesis Polymerization Using Ruthenium Metathesis Catalysts","Journal of the American Chemical Society","2013","135","","10032","10035","10.1021/ja405559y","","","0.71073","MoKα","","0.0645","0.0435","","","0.1024","0.1085","","","","","","1.468","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120089","10.0144","0.0002","19.9962","0.0004","20.9918","0.0004","88.654","0.001","81.718","0.001","89.576","0.001","4158.59","0.14","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H60 Si -","- C49.985 H59.965 Si -","- C199.94 H239.86 Si4 -","4","2","","Claudia Gerdes; Wolfgang Saak; Detlev Haase; Thomas Müller","Dibenzosilanorbornadienyl Cations and Their Fragmentation into Silyliumylidenes","Journal of the American Chemical Society","2013","135","","10353","10361","10.1021/ja400306h","","","0.71073","MoKα","","0.1012","0.056","","","0.1297","0.1541","","","","","","1.012","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120090","9.0405","0.0002","11.9574","0.0002","21.3996","0.0004","96.116","0.001","97.708","0.001","100.865","0.001","2230.57","0.08","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C53.5 H65 Cl Si -","- C53.5 H65 Cl Si -","- C107 H130 Cl2 Si2 -","2","1","","Claudia Gerdes; Wolfgang Saak; Detlev Haase; Thomas Müller","Dibenzosilanorbornadienyl Cations and Their Fragmentation into Silyliumylidenes","Journal of the American Chemical Society","2013","135","","10353","10361","10.1021/ja400306h","","","0.71073","MoKα","","0.0716","0.052","","","0.1337","0.1482","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120091","12.4831","0.0004","16.0535","0.0006","14.5104","0.0005","90","","96.848","0.002","90","","2887.1","0.17","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Si -","- C36 H36 Si -","- C144 H144 Si4 -","4","1","","Claudia Gerdes; Wolfgang Saak; Detlev Haase; Thomas Müller","Dibenzosilanorbornadienyl Cations and Their Fragmentation into Silyliumylidenes","Journal of the American Chemical Society","2013","135","","10353","10361","10.1021/ja400306h","","","0.71073","MoKα","","0.0996","0.0628","","","0.1558","0.1765","","","","","","1.06","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120092","10.2363","0.0004","18.2469","0.0009","19.157","0.0009","90.417","0.003","102.865","0.003","105.219","0.003","3357.8","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H38 B F32 N Si -","- C76 H38 B F32 N Si -","- C152 H76 B2 F64 N2 Si2 -","2","1","","Claudia Gerdes; Wolfgang Saak; Detlev Haase; Thomas Müller","Dibenzosilanorbornadienyl Cations and Their Fragmentation into Silyliumylidenes","Journal of the American Chemical Society","2013","135","","10353","10361","10.1021/ja400306h","","","0.71073","MoKα","","0.2057","0.055","","","0.1","0.1465","","","","","","0.937","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120093","8.9511","0.0002","21.8952","0.0004","12.54","0.0003","90","","90.691","0.001","90","","2457.49","0.09","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Si -","- C30 H32 Si -","- C120 H128 Si4 -","4","1","","Claudia Gerdes; Wolfgang Saak; Detlev Haase; Thomas Müller","Dibenzosilanorbornadienyl Cations and Their Fragmentation into Silyliumylidenes","Journal of the American Chemical Society","2013","135","","10353","10361","10.1021/ja400306h","","","0.71073","MoKα","","0.0807","0.057","","","0.1602","0.1819","","","","","","1.041","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120094","8.8694","0.0009","9.1916","0.0009","15.9724","0.0019","77.474","0.013","76.959","0.013","61.409","0.011","1104.8","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 Cl2 Si -","- C24 H26 Cl2 Si -","- C48 H52 Cl4 Si2 -","2","1","","Claudia Gerdes; Wolfgang Saak; Detlev Haase; Thomas Müller","Dibenzosilanorbornadienyl Cations and Their Fragmentation into Silyliumylidenes","Journal of the American Chemical Society","2013","135","","10353","10361","10.1021/ja400306h","","","0.71073","MoKα","","0.064","0.0353","","","0.0764","0.0813","","","","","","0.84","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120095","25.266","0.003","11.4902","0.0012","22.88","0.002","90","","90.492","0.002","90","","6642.1","1.2","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C38 H52 B N11 Ni O42 W12 -","- C38 H48 B N11 Ni O42.5 W12 -","- C152 H192 B4 N44 Ni4 O170 W48 -","4","1","","Qiuxia Han; Cheng He; Min Zhao; Bo Qi; Jingyang Niu; Chunying Duan","Engineering Chiral Polyoxometalate Hybrid Metal-Organic Frameworks for Asymmetric Dihydroxylation of Olefins","Journal of the American Chemical Society","2013","135","","10186","10189","10.1021/ja401758c","","","0.71073","MoKα","","0.0504","0.038","","","0.0751","0.0792","","","","","","1.021","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120096","25.187","0.004","11.4826","0.0017","22.862","0.004","90","","90.373","0.003","90","","6611.8","1.8","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C38 H52 B N11 Ni O42 W12 -","- C38 H48 B N11 Ni O42 W12 -","- C152 H192 B4 N44 Ni4 O168 W48 -","4","1","","Qiuxia Han; Cheng He; Min Zhao; Bo Qi; Jingyang Niu; Chunying Duan","Engineering Chiral Polyoxometalate Hybrid Metal-Organic Frameworks for Asymmetric Dihydroxylation of Olefins","Journal of the American Chemical Society","2013","135","","10186","10189","10.1021/ja401758c","","","0.71073","MoKα","","0.069","0.049","","","0.098","0.1073","","","","","","1.003","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120097","13.414","0.0003","14.9239","0.0004","20.0622","0.0005","90","","102.665","0.002","90","","3918.52","0.17","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50 H45.5 B Cl0.5 N10 Ni2 O42 W12 -","- C50 H41.5 B Cl0.5 N10 Ni2 O42 W12 -","- C100 H83 B2 Cl N20 Ni4 O84 W24 -","2","1","","Qiuxia Han; Cheng He; Min Zhao; Bo Qi; Jingyang Niu; Chunying Duan","Engineering Chiral Polyoxometalate Hybrid Metal-Organic Frameworks for Asymmetric Dihydroxylation of Olefins","Journal of the American Chemical Society","2013","135","","10186","10189","10.1021/ja401758c","","","0.71073","MoKα","","0.0843","0.0576","","","0.1286","0.1412","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120098","6.7922","0.0009","20.03","0.003","20.499","0.003","90","","90","","90","","2788.8","0.7","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 Cl F6 N2 O S -","- C29 H27 Cl F6 N2 O S -","- C116 H108 Cl4 F24 N8 O4 S4 -","4","1","","Hong-Bo Cheng; Heng-Yi Zhang; Yu Liu","Dual-Stimulus Luminescent Lanthanide Molecular Switch Based on an Unsymmetrical Diarylperfluorocyclopentene","Journal of the American Chemical Society","2013","135","","10190","10193","10.1021/ja4018804","","","0.71073","MoKα","","0.0357","0.0309","","","0.0589","0.0602","","","","","","1.01","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120099","7.4876","0.0007","7.4876","0.0007","72.129","0.01","90","","90","","90","","4043.9","0.8","100","2","100","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C50 H62 O4 -","- C50 H62 O4 -","- C200 H248 O16 -","4","0.5","","Braulio Rodríguez-Molina; Salvador Pérez-Estrada; Miguel A. Garcia-Garibay","Amphidynamic Crystals of a Steroidal Bicyclo[2.2.2]octane Rotor: A High Symmetry Group That Rotates Faster than Smaller Methyl and Methoxy Groups","Journal of the American Chemical Society","2013","135","","10388","10395","10.1021/ja4024463","","","0.71073","MoKα","","0.066","0.0569","","","0.1526","0.1582","","","","","","1.039","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120100","9.6611","0.0004","20.3319","0.0007","13.6276","0.0005","90","","90","","90","","2676.85","0.17","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[Cu(bcppm)H2O]-pdes","","","- C21 H16 Cu N4 O5 -","- C21 H16 Cu N4 O5 -","- C84 H64 Cu4 N16 O20 -","4","0.5","","Witold M. Bloch; Ravichandar Babarao; Matthew R. Hill; Christian J. Doonan; Christopher J. Sumby","Post-synthetic Structural Processing in a Metal-Organic Framework Material as a Mechanism for Exceptional CO2/N2 Selectivity","Journal of the American Chemical Society","2013","135","","10441","10448","10.1021/ja4032049","","","0.7107","MoKα","","0.057","0.0398","","","0.1119","0.1184","","","","","","1.109","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120101","9.9995","0.0003","19.259","0.0004","15.3449","0.0005","90","","90","","90","","2955.13","0.14","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H16 Cu N4 O5 -","- C21 H16 Cu N4 O5 -","- C84 H64 Cu4 N16 O20 -","4","0.5","","Witold M. Bloch; Ravichandar Babarao; Matthew R. Hill; Christian J. Doonan; Christopher J. Sumby","Post-synthetic Structural Processing in a Metal-Organic Framework Material as a Mechanism for Exceptional CO2/N2 Selectivity","Journal of the American Chemical Society","2013","135","","10441","10448","10.1021/ja4032049","","","0.7107","MoKα","","0.0592","0.0452","","","0.1304","0.1382","","","","","","1.062","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120102","8.8","0.003","20.734","0.002","13.11","0.005","90","","90","","90","","2392","1.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H16 Cu N4 O5 -","- C21 H16 Cu N4 O5 -","- C84 H64 Cu4 N16 O20 -","4","0.5","","Witold M. Bloch; Ravichandar Babarao; Matthew R. Hill; Christian J. Doonan; Christopher J. Sumby","Post-synthetic Structural Processing in a Metal-Organic Framework Material as a Mechanism for Exceptional CO2/N2 Selectivity","Journal of the American Chemical Society","2013","135","","10441","10448","10.1021/ja4032049","","","0.7107","MoKα","","0.2551","0.1937","","","0.467","0.4948","","","","","","1.548","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120103","7.5545","0.0002","50.5515","0.0015","10.7005","0.0004","90","","90","","90","","4086.4","0.2","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H20 O -","- C30 H20 O -","- C240 H160 O8 -","8","1","","Jian Zhao; Kazuaki Oniwa; Naoki Asao; Yoshinori Yamamoto; Tienan Jin","Pd-Catalyzed Cascade Crossover Annulation of o-Alkynylarylhalides and Diarylacetylenes Leading to Dibenzo[a,e]pentalenes","Journal of the American Chemical Society","2013","135","","10222","10225","10.1021/ja403382d","","","0.71075","MoKα","","0.0899","0.0543","","","0.1241","0.1399","","","","","","1.079","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120104","15.9288","0.0006","15.9288","0.0006","21.3663","0.0011","90","","90","","120","","4694.9","0.3","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C25 H31 Co2 N3 O14 -","- C25 H31.014 Co2 N3 O14.007 -","- C150 H186.084 Co12 N18 O84.042 -","6","1","","Xi-Yan Dong; Bo Li; Bin-Bin Ma; Shi-Jun Li; Ming-Ming Dong; Yan-Yan Zhu; Shuang-Quan Zang; You Song; Hong-Wei Hou; Thomas. C. W. Mak","Ferroelectric Switchable Behavior through Fast Reversible De/adsorption of Water Spirals in a Chiral 3D Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","10214","10217","10.1021/ja403449k","","","0.71073","MoKα","","0.0512","0.0436","","","0.1091","0.1146","","","","","","1.057","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120105","15.8831","0.0004","15.8831","0.0004","21.3791","0.0009","90","","90","","120","","4670.8","0.3","323","","323","","","","","","","","","5","P 61","P 61","169","","","","- C25 H21 Co2 N3 O9 -","- C25 H21 Co2 N3 O9 -","- C150 H126 Co12 N18 O54 -","6","1","","Xi-Yan Dong; Bo Li; Bin-Bin Ma; Shi-Jun Li; Ming-Ming Dong; Yan-Yan Zhu; Shuang-Quan Zang; You Song; Hong-Wei Hou; Thomas. C. W. Mak","Ferroelectric Switchable Behavior through Fast Reversible De/adsorption of Water Spirals in a Chiral 3D Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","10214","10217","10.1021/ja403449k","","","0.71073","MoKα","","0.035","0.0307","","","0.068","0.0701","","","","","","1.085","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120106","15.6888","0.0007","15.6888","0.0007","21.7323","0.0017","90","","90","","120","","4632.5","0.5","400","","400","","","","","","","","","5","P 61","P 61","169","","","","- C25 H19 Co2 N3 O8 -","- C25 H19 Co2 N3 O8 -","- C150 H114 Co12 N18 O48 -","6","1","","Xi-Yan Dong; Bo Li; Bin-Bin Ma; Shi-Jun Li; Ming-Ming Dong; Yan-Yan Zhu; Shuang-Quan Zang; You Song; Hong-Wei Hou; Thomas. C. W. Mak","Ferroelectric Switchable Behavior through Fast Reversible De/adsorption of Water Spirals in a Chiral 3D Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","10214","10217","10.1021/ja403449k","","","0.71073","MoKα","","0.0498","0.0451","","","0.1241","0.13","","","","","","1.019","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120107","15.9363","0.0006","15.9363","0.0006","21.338","0.0009","90","","90","","120","","4693.1","0.3","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C25 H31 Co2 N3 O14 -","- C25 H31.012 Co2 N3 O14.006 -","- C150 H186.072 Co12 N18 O84.036 -","6","1","","Xi-Yan Dong; Bo Li; Bin-Bin Ma; Shi-Jun Li; Ming-Ming Dong; Yan-Yan Zhu; Shuang-Quan Zang; You Song; Hong-Wei Hou; Thomas. C. W. Mak","Ferroelectric Switchable Behavior through Fast Reversible De/adsorption of Water Spirals in a Chiral 3D Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","10214","10217","10.1021/ja403449k","","","0.71073","MoKα","","0.0741","0.0602","","","0.1526","0.1673","","","","","","1.075","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120108","14.633","0.003","13.019","0.002","12.519","0.002","90","","114.516","0.005","90","","2169.9","0.7","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 B N2 S2 -","- C25 H23 B N2 S2 -","- C100 H92 B4 N8 S8 -","4","1","","Xiangcheng Pan; Anne-Laure Vallet; Stéphane Schweizer; Karim Dahbi; Bernard Delpech; Nicolas Blanchard; Bernadette Graff; Steven J. Geib; Dennis P. Curran; Jacques Lalevée; Emmanuel Lacôte","Mechanistic and Preparative Studies of Radical Chain Homolytic Substitution Reactions of N-Heterocyclic Carbene Boranes and Disulfides","Journal of the American Chemical Society","2013","135","","10484","10491","10.1021/ja403627k","","","0.71073","MoKα","","0.1094","0.066","","0.0873","0.0658","0.0658","","","","","","1.1213","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120109","8.6258","0.0018","8.0293","0.0017","19.05","0.004","90","","96.216","0.008","90","","1311.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 B N3 S2 -","- C12 H14 B N3 S2 -","- C48 H56 B4 N12 S8 -","4","1","","Xiangcheng Pan; Anne-Laure Vallet; Stéphane Schweizer; Karim Dahbi; Bernard Delpech; Nicolas Blanchard; Bernadette Graff; Steven J. Geib; Dennis P. Curran; Jacques Lalevée; Emmanuel Lacôte","Mechanistic and Preparative Studies of Radical Chain Homolytic Substitution Reactions of N-Heterocyclic Carbene Boranes and Disulfides","Journal of the American Chemical Society","2013","135","","10484","10491","10.1021/ja403627k","","","1.54178","CuKα","","0.2463","0.0549","","","0.1792","0.2047","","","","","","1.772","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120110","16.3754","0.001","7.8232","0.0004","12.4708","0.0008","90","","112.055","0.004","90","","1480.7","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 B N6 S -","- C12 H15 B N6 S -","- C48 H60 B4 N24 S4 -","4","1","","Xiangcheng Pan; Anne-Laure Vallet; Stéphane Schweizer; Karim Dahbi; Bernard Delpech; Nicolas Blanchard; Bernadette Graff; Steven J. Geib; Dennis P. Curran; Jacques Lalevée; Emmanuel Lacôte","Mechanistic and Preparative Studies of Radical Chain Homolytic Substitution Reactions of N-Heterocyclic Carbene Boranes and Disulfides","Journal of the American Chemical Society","2013","135","","10484","10491","10.1021/ja403627k","","","1.54178","CuKα","","0.0625","0.0558","","","0.143","0.147","","","","","","1.563","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4120111","26.8178","0.0016","26.8178","0.0016","28.8539","0.0019","90","","90","","90","","20752","2","150","2","150","2","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Cd6 In28 S56 -","- Cd6 In28 S56 -","- Cd24 In112 S224 -","4","0.125","","Tao Wu; Qian Zhang; Yang Hou; Le Wang; Chengyu Mao; Shou-Tian Zheng; Xianhui Bu; Pingyun Feng","Monocopper Doping in Cd-In-S Supertetrahedral Nanocluster via Two-Step Strategy and Enhanced Photoelectric Response","Journal of the American Chemical Society","2013","135","","10250","10253","10.1021/ja404181c","","","0.71073","MoKα","","0.1942","0.0808","","","0.2101","0.3204","","","","","","1.018","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120112","27.4878","0.0009","27.4878","0.0009","26.6357","0.0009","90","","90","","90","","20125.4","1.2","150","2","150","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- Cd6 Cu0.4 In28 O4 S52 -","- Cd6 Cu0.4 In28 O4 S52 -","- Cd24 Cu1.6 In112 O16 S208 -","4","0.125","","Tao Wu; Qian Zhang; Yang Hou; Le Wang; Chengyu Mao; Shou-Tian Zheng; Xianhui Bu; Pingyun Feng","Monocopper Doping in Cd-In-S Supertetrahedral Nanocluster via Two-Step Strategy and Enhanced Photoelectric Response","Journal of the American Chemical Society","2013","135","","10250","10253","10.1021/ja404181c","","","0.71073","MoKα","","0.1305","0.0779","","","0.2095","0.2813","","","","","","1.132","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120113","27.5529","0.0015","27.5529","0.0015","26.6418","0.0014","90","","90","","90","","20225.5","1.9","150","2","150","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- Cd6 Cu In28 O4 S52 -","- Cd6 Cu In28 O4 S52 -","- Cd24 Cu4 In112 O16 S208 -","4","0.125","","Tao Wu; Qian Zhang; Yang Hou; Le Wang; Chengyu Mao; Shou-Tian Zheng; Xianhui Bu; Pingyun Feng","Monocopper Doping in Cd-In-S Supertetrahedral Nanocluster via Two-Step Strategy and Enhanced Photoelectric Response","Journal of the American Chemical Society","2013","135","","10250","10253","10.1021/ja404181c","","","0.71073","MoKα","","0.1666","0.0863","","","0.2274","0.3383","","","","","","1.124","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120114","19.6365","0.0012","19.6365","0.0012","48.175","0.003","90","","90","","90","","18576","2","150","2","150","2","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Cd6 In28 S54 -","- Cd6 In28 S54 -","- Cd24 In112 S216 -","4","0.125","","Tao Wu; Qian Zhang; Yang Hou; Le Wang; Chengyu Mao; Shou-Tian Zheng; Xianhui Bu; Pingyun Feng","Monocopper Doping in Cd-In-S Supertetrahedral Nanocluster via Two-Step Strategy and Enhanced Photoelectric Response","Journal of the American Chemical Society","2013","135","","10250","10253","10.1021/ja404181c","","","0.71073","MoKα","","0.1281","0.0616","","","0.1643","0.2168","","","","","","1.006","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120115","8.6694","0.0003","21.5135","0.0007","20.3017","0.0007","90","","101.402","0.001","90","","3711.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H47 Cl2 N2 O3 Ru -","- C41 H47 Cl2 N2 O3 Ru -","- C164 H188 Cl8 N8 O12 Ru4 -","4","1","","R. Kashif M. Khan; Sebastian Torker; Amir H. Hoveyda","Readily Accessible and Easily Modifiable Ru-Based Catalysts for Efficient and Z-Selective Ring-Opening Metathesis Polymerization and Ring-Opening/Cross-Metathesis","Journal of the American Chemical Society","2013","135","","10258","10261","10.1021/ja404208a","","","1.54178","CuKα","","0.0277","0.0277","","","0.0699","0.07","","","","","","1.109","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120116","12.303","0.0008","16.4866","0.0011","17.9428","0.0013","90","","90","","90","","3639.4","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 Cl2 N2 O Ru S2 -","- C38 H44 Cl2 N2 O Ru S2 -","- C152 H176 Cl8 N8 O4 Ru4 S8 -","4","1","","R. Kashif M. Khan; Sebastian Torker; Amir H. Hoveyda","Readily Accessible and Easily Modifiable Ru-Based Catalysts for Efficient and Z-Selective Ring-Opening Metathesis Polymerization and Ring-Opening/Cross-Metathesis","Journal of the American Chemical Society","2013","135","","10258","10261","10.1021/ja404208a","","","1.54178","CuKα","","0.0283","0.0276","","","0.0689","0.0694","","","","","","1.045","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120117","13.6373","0.0001","13.6373","","44.7311","0.0004","90","","90","","120","","7204.39","0.08","","","","","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C14 H34 Al2 N Na O54 Si16 -","- C13.521 H27.54 N Na O39 Si18 -","- C81.126 H165.24 N6 Na6 O234 Si108 -","6","0.166667","","Dan Xie; Lynne B. McCusker; Christian Baerlocher; Stacey I. Zones; Wei Wan; Xiaodong Zou","SSZ-52, a Zeolite with an 18-Layer Aluminosilicate Framework Structure Related to That of the DeNOx Catalyst Cu-SSZ-13","Journal of the American Chemical Society","2013","135","","10519","10524","10.1021/ja4043615","powder diffraction","","","","","","0.059","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120118","18.1997","0.0008","18.1997","0.0008","20.0204","0.001","90","","90","","120","","5742.9","0.5","296","2","296","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C63 H51 Co2 In3 N6 O37 -","- C63 H51 Co2 In3 N6 O37 -","- C126 H102 Co4 In6 N12 O74 -","2","0.166667","","Shou-Tian Zheng; Xiang Zhao; Samuel Lau; Addis Fuhr; Pingyun Feng; Xianhui Bu","Entrapment of Metal Clusters in Metal-Organic Framework Channels by Extended Hooks Anchored at Open Metal Sites","Journal of the American Chemical Society","2013","135","","10270","10273","10.1021/ja4044642","","","0.71073","MoKα","","0.0567","0.038","","","0.0979","0.1039","","","","","","0.943","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120119","20.8131","0.001","20.8131","0.001","23.185","0.002","90","","90","","120","","8697.8","1","296","2","296","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C42 H24 In3 N0 O16 -","- C42 H24 In3 O16 -","- C84 H48 In6 O32 -","2","0.166667","","Shou-Tian Zheng; Xiang Zhao; Samuel Lau; Addis Fuhr; Pingyun Feng; Xianhui Bu","Entrapment of Metal Clusters in Metal-Organic Framework Channels by Extended Hooks Anchored at Open Metal Sites","Journal of the American Chemical Society","2013","135","","10270","10273","10.1021/ja4044642","","","0.71073","MoKα","","0.0481","0.0296","","","0.0659","0.0682","","","","","","0.883","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120120","18.7843","0.0008","18.7843","0.0008","25.0267","0.0011","90","","90","","120","","7647.6","0.6","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C60 H38 In3 N3 O20 Zn -","- C60 H36 In3 N3 O20 Zn -","- C120 H72 In6 N6 O40 Zn2 -","2","0.166667","","Shou-Tian Zheng; Xiang Zhao; Samuel Lau; Addis Fuhr; Pingyun Feng; Xianhui Bu","Entrapment of Metal Clusters in Metal-Organic Framework Channels by Extended Hooks Anchored at Open Metal Sites","Journal of the American Chemical Society","2013","135","","10270","10273","10.1021/ja4044642","","","0.71073","MoKα","","0.0704","0.0381","","","0.0914","0.0971","","","","","","0.876","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120121","18.8658","0.0004","18.8658","0.0004","24.6975","0.0013","90","","90","","120","","7612.6","0.5","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C60 H36 Co2 In3 N3 O22 -","- C60 H36 Co2 In3 N3 O21.98 -","- C120 H72 Co4 In6 N6 O43.96 -","2","0.166667","","Shou-Tian Zheng; Xiang Zhao; Samuel Lau; Addis Fuhr; Pingyun Feng; Xianhui Bu","Entrapment of Metal Clusters in Metal-Organic Framework Channels by Extended Hooks Anchored at Open Metal Sites","Journal of the American Chemical Society","2013","135","","10270","10273","10.1021/ja4044642","","","0.71073","MoKα","","0.0713","0.0576","","","0.1697","0.175","","","","","","1.02","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120122","9.6582","0.0006","14.7827","0.0009","12.9177","0.0008","90","","105.749","0.003","90","","1775.08","0.19","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H50 N2 O4 Ru -","- C41 H50 N2 O4 Ru -","- C82 H100 N4 O8 Ru2 -","2","1","","John Hartung; Robert H. Grubbs","Highly Z-Selective and Enantioselective Ring-Opening/Cross-Metathesis Catalyzed by a Resolved Stereogenic-at-Ru Complex","Journal of the American Chemical Society","2013","135","","10183","10185","10.1021/ja4046422","","","0.71073","MoKα","","0.0303","0.0252","","","0.0534","0.0547","","","","","","1.242","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120123","6.8772","0.0003","15.793","0.001","20.9413","0.0012","90","","90","","90","","2274.5","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br N2 O6 -","- C25 H21 Br N2 O6 -","- C100 H84 Br4 N8 O24 -","4","1","","John Hartung; Robert H. Grubbs","Highly Z-Selective and Enantioselective Ring-Opening/Cross-Metathesis Catalyzed by a Resolved Stereogenic-at-Ru Complex","Journal of the American Chemical Society","2013","135","","10183","10185","10.1021/ja4046422","","","0.71073","MoKα","","0.0789","0.0434","","","0.0558","0.0614","","","","","","1.043","","","","has coordinates,has Fobs","178978","2020-10-21","18:00:00",""
"4120124","13.1029","0.0011","13.4322","0.001","17.4919","0.0012","75.37","0.003","84.383","0.004","70.341","0.003","2804.9","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H64 B F N P3 Ru Si -","- C67 H64 B F N P3 Ru Si -","- C134 H128 B2 F2 N2 P6 Ru2 Si2 -","2","1","","Mark C. Lipke; T. Don Tilley","Silane-Isocyanide Coupling Involving 1,1-Insertion of XylNC into the Si-H Bond of a σ-Silane Ligand","Journal of the American Chemical Society","2013","135","","10298","10301","10.1021/ja404910h","","","0.71073","MoKα","","0.0632","0.0455","","","0.1049","0.1149","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120125","12.1477","0.0015","13.1112","0.0015","20.504","0.002","81.192","0.006","81.26","0.007","62.614","0.006","2853.1","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H60 B N P3 Ru Si -","- C66 H60 B N P3 Ru Si -","- C132 H120 B2 N2 P6 Ru2 Si2 -","2","1","","Mark C. Lipke; T. Don Tilley","Silane-Isocyanide Coupling Involving 1,1-Insertion of XylNC into the Si-H Bond of a σ-Silane Ligand","Journal of the American Chemical Society","2013","135","","10298","10301","10.1021/ja404910h","","","0.71073","MoKα","","0.2493","0.0978","","","0.1848","0.234","","","","","","0.838","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120126","17.261","0.005","13.944","0.004","20.315","0.005","90","","107.815","0.004","90","","4655","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4","","","- C49 H50 B O P3 Ru -","- C49 H50 B O P3 Ru -","- C196 H200 B4 O4 P12 Ru4 -","4","1","","Mark C. Lipke; T. Don Tilley","Silane-Isocyanide Coupling Involving 1,1-Insertion of XylNC into the Si-H Bond of a σ-Silane Ligand","Journal of the American Chemical Society","2013","135","","10298","10301","10.1021/ja404910h","","","0.71073","MoKα","","0.2072","0.1084","","","0.2887","0.3209","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120127","39.3875","0.0007","39.3875","0.0007","16.4829","0.0003","90","","90","","120","","22145.3","0.7","100","2","99.99","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C88 H44 O32 Zr6 -","- C88 H44 O32 Zr6 -","- C264 H132 O96 Zr18 -","3","0.125","","Joseph E. Mondloch; Wojciech Bury; David Fairen-Jimenez; Stephanie Kwon; Erica J. DeMarco; Mitchell H. Weston; Amy A. Sarjeant; SonBinh T. Nguyen; Peter C. Stair; Randall Q. Snurr; Omar K. Farha; Joseph T. Hupp","Vapor-Phase Metalation by Atomic Layer Deposition in a Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","10294","10297","10.1021/ja4050828","","","1.54178","CuKα","","0.1317","0.1216","","","0.3707","0.3858","","","","","","1.737","","","","has coordinates,has disorder,has Fobs","178978","2020-10-21","18:00:00",""
"4120128","11.182","0.007","11.741","0.008","11.941","0.007","90","","95.487","0.011","90","","1560.5","1.7","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 N4 S5 -","- C16 H8 N4 S5 -","- C64 H32 N16 S20 -","4","1","","Kazuhiko Nagura; Shohei Saito; Hitoshi Yusa; Hiroshi Yamawaki; Hiroshi Fujihisa; Hiroyasu Sato; Yuichi Shimoikeda; Shigehiro Yamaguchi","Distinct Responses to Mechanical Grinding and Hydrostatic Pressure in Luminescent Chromism of Tetrathiazolylthiophene","Journal of the American Chemical Society","2013","135","","10322","10325","10.1021/ja4055228","","","0.71075","MoKα","","","0.1195","","","","0.2798","","","","","","0.847","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120129","11.3154","0.0018","11.9773","0.0019","12.598","0.002","90","","94.3205","0.0009","90","","1702.5","0.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,4,5-Tetra(2-thiazolyl)thiophene","","- C16 H8 N4 S5 -","- C16 H8 N4 S5 -","- C64 H32 N16 S20 -","4","1","","Kazuhiko Nagura; Shohei Saito; Hitoshi Yusa; Hiroshi Yamawaki; Hiroshi Fujihisa; Hiroyasu Sato; Yuichi Shimoikeda; Shigehiro Yamaguchi","Distinct Responses to Mechanical Grinding and Hydrostatic Pressure in Luminescent Chromism of Tetrathiazolylthiophene","Journal of the American Chemical Society","2013","135","","10322","10325","10.1021/ja4055228","","","0.7107","MoKα","","0.0341","0.0306","","","0.0847","0.0871","","","","","","1.075","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120130","11.4024","0.0019","18.039","0.003","10.8795","0.0018","90","","108.484","0.0017","90","","2122.3","0.6","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,3,4,5-Tetra[2-(5-methyl)thiazolyl]thiophene","","- C20 H16 N4 S5 -","- C20 H16 N4 S5 -","- C80 H64 N16 S20 -","4","0.5","","Kazuhiko Nagura; Shohei Saito; Hitoshi Yusa; Hiroshi Yamawaki; Hiroshi Fujihisa; Hiroyasu Sato; Yuichi Shimoikeda; Shigehiro Yamaguchi","Distinct Responses to Mechanical Grinding and Hydrostatic Pressure in Luminescent Chromism of Tetrathiazolylthiophene","Journal of the American Chemical Society","2013","135","","10322","10325","10.1021/ja4055228","","","0.7107","MoKα","","0.028","0.0258","","","0.0719","0.073","","","","","","1.086","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120131","7.6074","0.001","10.3355","0.0013","21.95","0.003","90","","93.88","0.003","90","","1721.9","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-Di(2-thiazolyl)-3,4-di(2-thienyl)thiophene","","- C18 H10 N2 S5 -","- C18 H10 N2 S5 -","- C72 H40 N8 S20 -","4","1","","Kazuhiko Nagura; Shohei Saito; Hitoshi Yusa; Hiroshi Yamawaki; Hiroshi Fujihisa; Hiroyasu Sato; Yuichi Shimoikeda; Shigehiro Yamaguchi","Distinct Responses to Mechanical Grinding and Hydrostatic Pressure in Luminescent Chromism of Tetrathiazolylthiophene","Journal of the American Chemical Society","2013","135","","10322","10325","10.1021/ja4055228","","","0.7107","MoKα","","0.0262","0.0245","","","0.0599","0.0612","","","","","","1.032","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120132","11.7818","0.0015","7.7825","0.0009","19.417","0.002","90","","104.338","0.0005","90","","1724.9","0.3","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,5-Di(2-thienyl)-3,4-di(2-thiazolyl)thiophene","","- C18 H10 N2 S5 -","- C18 H10 N2 S5 -","- C72 H40 N8 S20 -","4","1","","Kazuhiko Nagura; Shohei Saito; Hitoshi Yusa; Hiroshi Yamawaki; Hiroshi Fujihisa; Hiroyasu Sato; Yuichi Shimoikeda; Shigehiro Yamaguchi","Distinct Responses to Mechanical Grinding and Hydrostatic Pressure in Luminescent Chromism of Tetrathiazolylthiophene","Journal of the American Chemical Society","2013","135","","10322","10325","10.1021/ja4055228","","","0.7107","MoKα","","0.0249","0.0238","","","0.0583","0.0591","","","","","","1.081","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120133","11.4016","0.0005","12","0.0004","12.8329","0.0005","90","","93.455","0.007","90","","1752.6","0.12","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 N4 S5 -","- C16 H8 N4 S5 -","- C64 H32 N16 S20 -","4","1","","Kazuhiko Nagura; Shohei Saito; Hitoshi Yusa; Hiroshi Yamawaki; Hiroshi Fujihisa; Hiroyasu Sato; Yuichi Shimoikeda; Shigehiro Yamaguchi","Distinct Responses to Mechanical Grinding and Hydrostatic Pressure in Luminescent Chromism of Tetrathiazolylthiophene","Journal of the American Chemical Society","2013","135","","10322","10325","10.1021/ja4055228","","","0.71075","MoKα","","","0.0442","","","","0.1202","","","","","","1.023","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120134","6.451","0.001","6.451","0.001","6.237","0.001","90","","90","","120","","224.78","0.06","298","","110","","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","","","","- Na2 Sn5 Zn -","- Na1.9998 Sn4.9998 Zn1.0002 -","- Na1.9998 Sn4.9998 Zn1.0002 -","1","0.0833333","","Saskia Stegmaier; Sung-Jin Kim; Alexander Henze; Thomas F. Fässler","Tetrahedral Framework Structures: Polymorphic Phase Transition with Reorientation of Hexagonal Helical Channels in the Zintl Compound Na~2~ZnSn~5~ and its Relation to Na~5~Zn~2+<i>x</i>~Sn~10-<i>x</i>~","Journal of the American Chemical Society","2013","135","","10654","10663","10.1021/ja401043b","","x-ray","0.71073","MoKα","","0.0157","0.0157","","","0.0379","0.0379","","","","","","1.336","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120135","6.336","0.001","6.336","0.001","22.382","0.001","90","","90","","90","","898.5","0.2","298","","150","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Na2 Sn5 Zn -","- Na2 Sn5 Zn -","- Na8 Sn20 Zn4 -","4","0.25","","Saskia Stegmaier; Sung-Jin Kim; Alexander Henze; Thomas F. Fässler","Tetrahedral Framework Structures: Polymorphic Phase Transition with Reorientation of Hexagonal Helical Channels in the Zintl Compound Na~2~ZnSn~5~ and its Relation to Na~5~Zn~2+<i>x</i>~Sn~10-<i>x</i>~","Journal of the American Chemical Society","2013","135","","10654","10663","10.1021/ja401043b","","x-ray","0.71073","MoKα","","0.0355","0.0322","","","0.0768","0.0779","","","","","","1.057","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120136","12.3051","0.0002","13.6385","0.0002","21.0194","0.0003","95.7052","0.0014","91.0437","0.0014","96.0531","0.0015","3489.03","0.09","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H32 B2 F8 Fe N6 -","- C37 H32 B2.0005 F8.002 Fe N6 -","- C148 H128 B8.002 F32.008 Fe4 N24 -","4","2","","Sumit Sahu; Leland R. Widger; Matthew G. Quesne; Sam P. de Visser; Hirotoshi Matsumura; Pierre Moënne-Loccoz; Maxime A. Siegler; David P. Goldberg","Secondary Coordination Sphere Influence on the Reactivity of Nonheme Iron(II) Complexes: An Experimental and DFT Approach","Journal of the American Chemical Society","2013","135","","10590","10593","10.1021/ja402688t","","","0.71073","MoKα","","0.0394","0.0316","","","0.0782","0.0816","","","","","","1.031","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120137","11.9067","0.0003","12.4935","0.0004","13.4579","0.0004","91.551","0.002","112.033","0.002","104.801","0.002","1777.22","0.1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H65 B4 F16 Fe2 N13 O2 -","- C76 H65 B4 F16 Fe2 N13 O2 -","- C76 H65 B4 F16 Fe2 N13 O2 -","1","0.5","","Sumit Sahu; Leland R. Widger; Matthew G. Quesne; Sam P. de Visser; Hirotoshi Matsumura; Pierre Moënne-Loccoz; Maxime A. Siegler; David P. Goldberg","Secondary Coordination Sphere Influence on the Reactivity of Nonheme Iron(II) Complexes: An Experimental and DFT Approach","Journal of the American Chemical Society","2013","135","","10590","10593","10.1021/ja402688t","","","0.71073","MoKα","","0.0429","0.0358","","","0.0963","0.0997","","","","","","1.082","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120138","12.3252","0.0002","19.1467","0.0003","19.6009","0.0003","99.8107","0.0013","102.035","0.0013","94.2364","0.0013","4428.92","0.13","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H84 B4 F16 Fe2 N12 O3 -","- C84 H84 B4 F16 Fe2 N12 O3 -","- C168 H168 B8 F32 Fe4 N24 O6 -","2","1","","Sumit Sahu; Leland R. Widger; Matthew G. Quesne; Sam P. de Visser; Hirotoshi Matsumura; Pierre Moënne-Loccoz; Maxime A. Siegler; David P. Goldberg","Secondary Coordination Sphere Influence on the Reactivity of Nonheme Iron(II) Complexes: An Experimental and DFT Approach","Journal of the American Chemical Society","2013","135","","10590","10593","10.1021/ja402688t","","","0.71073","MoKα","","0.0633","0.0446","","","0.1168","0.1242","","","","","","1.059","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120139","10.9586","0.0004","14.3029","0.0006","14.179","0.0006","90","","92.126","0.002","90","","2220.88","0.16","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Al Cl2 Si Zr -","- C22 H24 Al Cl2 Si Zr -","- C88 H96 Al4 Cl8 Si4 Zr4 -","4","1","","Taylor N. Lenton; John E. Bercaw; Valentina N. Panchenko; Vladimir A. Zakharov; Dmitrii E. Babushkin; Igor E. Soshnikov; Evgenii P. Talsi; Hans H. Brintzinger","Formation of Trivalent Zirconocene Complexes fromansa-Zirconocene-Based Olefin-Polymerization Precatalysts: An EPR- and NMR-Spectroscopic Study","Journal of the American Chemical Society","2013","135","","10710","10719","10.1021/ja403170u","","","0.71073","MoKα","","0.0846","0.0388","","","0.079","0.0952","","","","","","1.026","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120140","15.4038","0.0003","17.0341","0.0003","24.8449","0.0005","90","","104.221","0.001","90","","6319.3","0.2","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H100 N2 V -","- C72 H100 N2 V -","- C288 H400 N8 V4 -","4","1","","Jessica N. Boynton; Jing-Dong Guo; James C. Fettinger; Christopher E. Melton; Shigeru Nagase; Philip P. Power","Linear and Nonlinear Two-Coordinate Vanadium Complexes: Synthesis, Characterization, and Magnetic Properties of V(II) Amides","Journal of the American Chemical Society","2013","135","","10720","10728","10.1021/ja403244w","","","1.54178","CuKα","","0.0435","0.0409","","","0.1178","0.1202","","","","","","1.043","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120141","14.5715","0.0007","31.4168","0.0012","15.86","0.0006","90","","92.892","0.001","90","","7251.3","0.5","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C86 H116 N2 V -","- C86 H116 N2 V -","- C344 H464 N8 V4 -","4","0.5","","Jessica N. Boynton; Jing-Dong Guo; James C. Fettinger; Christopher E. Melton; Shigeru Nagase; Philip P. Power","Linear and Nonlinear Two-Coordinate Vanadium Complexes: Synthesis, Characterization, and Magnetic Properties of V(II) Amides","Journal of the American Chemical Society","2013","135","","10720","10728","10.1021/ja403244w","","","1.54178","CuKα","","0.0425","0.0412","","","0.1045","0.1051","","","","","","1.036","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120142","12.6799","0.0006","20.8049","0.0011","15.952","0.0008","90","","107.291","0.002","90","","4018","0.4","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H104 Li2 N4 O4 V2 -","- C96 H104 Li2 N4 O4 V2 -","- C192 H208 Li4 N8 O8 V4 -","2","0.5","","Jessica N. Boynton; Jing-Dong Guo; James C. Fettinger; Christopher E. Melton; Shigeru Nagase; Philip P. Power","Linear and Nonlinear Two-Coordinate Vanadium Complexes: Synthesis, Characterization, and Magnetic Properties of V(II) Amides","Journal of the American Chemical Society","2013","135","","10720","10728","10.1021/ja403244w","","","1.54178","CuKα","","0.0771","0.0653","","","0.1752","0.1832","","","","","","1.065","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120143","9.3263","0.0004","11.5802","0.0006","18.5814","0.0008","76.054","0.002","84.829","0.002","83.592","0.002","1931.31","0.16","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H52 N2 V -","- C48 H52 N2 V -","- C96 H104 N4 V2 -","2","1","","Jessica N. Boynton; Jing-Dong Guo; James C. Fettinger; Christopher E. Melton; Shigeru Nagase; Philip P. Power","Linear and Nonlinear Two-Coordinate Vanadium Complexes: Synthesis, Characterization, and Magnetic Properties of V(II) Amides","Journal of the American Chemical Society","2013","135","","10720","10728","10.1021/ja403244w","","","1.54178","CuKα","","0.0533","0.0525","","","0.1548","0.1557","","","","","","1.049","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120144","9.3166","0.0002","23.0618","0.0006","23.8529","0.0007","90","","90","","90","","5125","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H40 Cl6 F3 Ir N6 O5 -","- C53 H40 Cl6 F3 Ir N6 O5 -","- C212 H160 Cl24 F12 Ir4 N24 O20 -","4","1","","Liang-An Chen; Weici Xu; Biao Huang; Jiajia Ma; Lun Wang; Jianwei Xi; Klaus Harms; Lei Gong; Eric Meggers","Asymmetric Catalysis with an Inert Chiral-at-Metal Iridium Complex","Journal of the American Chemical Society","2013","135","","10598","10601","10.1021/ja403777k","","","0.71073","MoKα","","0.0291","0.0263","","","0.0583","0.0599","","","","","","1.037","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120145","8.7931","0.0018","10.932","0.002","12.43","0.003","75.32","0.03","85.39","0.03","72.16","0.03","1100.3","0.5","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H35 Ir N3 O5.5 S -","- C40 H35 Ir N3 O5.5 S -","- C40 H35 Ir N3 O5.5 S -","1","1","","Liang-An Chen; Weici Xu; Biao Huang; Jiajia Ma; Lun Wang; Jianwei Xi; Klaus Harms; Lei Gong; Eric Meggers","Asymmetric Catalysis with an Inert Chiral-at-Metal Iridium Complex","Journal of the American Chemical Society","2013","135","","10598","10601","10.1021/ja403777k","","","0.71073","MoKα","","0.0372","0.0372","","","0.1017","0.1017","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120146","15.3783","0.0016","17.703","0.0019","20.58","0.002","80.765","0.002","82.54","0.002","72.642","0.001","5258.3","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H77 N O Si6 -","- C47 H77 N O Si6 -","- C188 H308 N4 O4 Si24 -","4","2","","Takeaki Iwamoto; Nobuyoshi Ohnishi; Naohiko Akasaka; Koichi Ohno; Shintaro Ishida","Anthryl-Substituted 3-Silylene-2-silaaziridine Obtained by Isomerization of Disilacyclopropanimine: An Exocyclic Silene Showing a Distinct Intramolecular Charge Transfer Transition","Journal of the American Chemical Society","2013","135","","10606","10609","10.1021/ja404045f","","","0.71073","MoKα","","0.0859","0.0508","","","0.122","0.133","","","","","","1","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120147","11.687","0.002","20.969","0.004","21.104","0.005","108.521","0.004","106.022","0.003","103.615","0.003","4407.4","1.6","273","","273","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H65 N Si6 -","- C39 H65 N Si6 -","- C156 H260 N4 Si24 -","4","2","","Takeaki Iwamoto; Nobuyoshi Ohnishi; Naohiko Akasaka; Koichi Ohno; Shintaro Ishida","Anthryl-Substituted 3-Silylene-2-silaaziridine Obtained by Isomerization of Disilacyclopropanimine: An Exocyclic Silene Showing a Distinct Intramolecular Charge Transfer Transition","Journal of the American Chemical Society","2013","135","","10606","10609","10.1021/ja404045f","","","0.71073","MoKα","","0.1008","0.0644","","","0.1542","0.1685","","","","","","1.066","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120148","10.948","0.004","19.788","0.007","22.493","0.008","79.389","0.005","83.371","0.005","85.483","0.005","4749","3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C43 H67 N Si6 -","- C43 H67 N Si6 -","- C172 H268 N4 Si24 -","4","2","","Takeaki Iwamoto; Nobuyoshi Ohnishi; Naohiko Akasaka; Koichi Ohno; Shintaro Ishida","Anthryl-Substituted 3-Silylene-2-silaaziridine Obtained by Isomerization of Disilacyclopropanimine: An Exocyclic Silene Showing a Distinct Intramolecular Charge Transfer Transition","Journal of the American Chemical Society","2013","135","","10606","10609","10.1021/ja404045f","","","0.71073","MoKα","","0.1509","0.0899","","","0.1941","0.2267","","","","","","1.029","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120149","11.348","0.005","11.504","0.005","18.296","0.008","95.759","0.007","98.683","0.007","96.673","0.007","2328.2","1.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H67 N Si6 -","- C43 H67 N Si6 -","- C86 H134 N2 Si12 -","2","1","","Takeaki Iwamoto; Nobuyoshi Ohnishi; Naohiko Akasaka; Koichi Ohno; Shintaro Ishida","Anthryl-Substituted 3-Silylene-2-silaaziridine Obtained by Isomerization of Disilacyclopropanimine: An Exocyclic Silene Showing a Distinct Intramolecular Charge Transfer Transition","Journal of the American Chemical Society","2013","135","","10606","10609","10.1021/ja404045f","","","0.71073","MoKα","","0.0991","0.0586","","","0.1208","0.1325","","","","","","0.996","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120150","11.411","0.003","20.987","0.005","21.578","0.005","90","","105.273","0.003","90","","4985","2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H67 N Si6 -","- C43 H67 N Si6 -","- C172 H268 N4 Si24 -","4","1","","Takeaki Iwamoto; Nobuyoshi Ohnishi; Naohiko Akasaka; Koichi Ohno; Shintaro Ishida","Anthryl-Substituted 3-Silylene-2-silaaziridine Obtained by Isomerization of Disilacyclopropanimine: An Exocyclic Silene Showing a Distinct Intramolecular Charge Transfer Transition","Journal of the American Chemical Society","2013","135","","10606","10609","10.1021/ja404045f","","","0.71073","MoKα","","0.0859","0.0523","","","0.118","0.1299","","","","","","0.947","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120151","13.188","0.0006","13.2245","0.0006","13.4292","0.0006","69.655","0.003","72.573","0.003","69.561","0.003","2015.04","0.17","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C90 H114 N6 W -","- C90 H114 N6 W -","- C90 H114 N6 W -","1","0.5","","Wesley Sattler; Maraia E. Ener; James D. Blakemore; Aaron A. Rachford; Paul J. LaBeaume; James W. Thackeray; James F. Cameron; Jay R. Winkler; Harry B. Gray","Generation of Powerful Tungsten Reductants by Visible Light Excitation","Journal of the American Chemical Society","2013","135","","10614","10617","10.1021/ja4047119","","","0.71073","MoKα","","0.0497","0.0484","","","0.1186","0.1196","","","","","","1.056","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120152","11.7903","0.0009","12.3315","0.001","15.2801","0.0012","112.244","0.002","93.709","0.003","90.497","0.002","2050.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H35 N4 S8 -","- C42 H32 N4 S8 -","- C84 H64 N8 S16 -","2","1","","Nathan L. Bill; Masatoshi Ishida; Steffen Bähring; Jong Min Lim; Sangsu Lee; Christina M. Davis; Vincent M. Lynch; Kent A. Nielsen; Jan O. Jeppesen; Kei Ohkubo; Shunichi Fukuzumi; Dongho Kim; Jonathan L. Sessler","Porphyrins Fused with Strongly Electron-Donating 1,3-Dithiol-2-ylidene Moieties: Redox Control by Metal Cation Complexation and Anion Binding","Journal of the American Chemical Society","2013","135","","10852","10862","10.1021/ja404830y","","","0.71073","MoKα","","0.0739","0.0632","","","0.1628","0.1701","","","","","","1.111","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120153","11.954","0.002","12.065","0.002","14.235","0.003","106.316","0.004","94.255","0.004","90.783","0.005","1963.7","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Cu N4 S8 -","- C42 H30 Cu N4 S8 -","- C84 H60 Cu2 N8 S16 -","2","1","","Nathan L. Bill; Masatoshi Ishida; Steffen Bähring; Jong Min Lim; Sangsu Lee; Christina M. Davis; Vincent M. Lynch; Kent A. Nielsen; Jan O. Jeppesen; Kei Ohkubo; Shunichi Fukuzumi; Dongho Kim; Jonathan L. Sessler","Porphyrins Fused with Strongly Electron-Donating 1,3-Dithiol-2-ylidene Moieties: Redox Control by Metal Cation Complexation and Anion Binding","Journal of the American Chemical Society","2013","135","","10852","10862","10.1021/ja404830y","","","0.71075","MoKα","","0.0645","0.0482","","","0.1187","0.1281","","","","","","1.191","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120154","6.813","0.002","14.693","0.005","27.16","0.01","90","","91.129","0.008","90","","2718.3","1.6","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H40 Cu F6 N4 O6 S10 -","- C44 H30 Cu F6 N4 O6 S10 -","- C88 H60 Cu2 F12 N8 O12 S20 -","2","0.5","","Nathan L. Bill; Masatoshi Ishida; Steffen Bähring; Jong Min Lim; Sangsu Lee; Christina M. Davis; Vincent M. Lynch; Kent A. Nielsen; Jan O. Jeppesen; Kei Ohkubo; Shunichi Fukuzumi; Dongho Kim; Jonathan L. Sessler","Porphyrins Fused with Strongly Electron-Donating 1,3-Dithiol-2-ylidene Moieties: Redox Control by Metal Cation Complexation and Anion Binding","Journal of the American Chemical Society","2013","135","","10852","10862","10.1021/ja404830y","","","0.71075","MoKα","","0.1759","0.1178","","","0.3102","0.3374","","","","","","1.074","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120155","12.755","0.002","13.918","0.002","16.006","0.003","113.127","0.003","96.24","0.004","93.01","0.003","2583.5","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 N4 O5 S8 Zn -","- C48 H44 N4 O3 S8 Zn -","- C96 H88 N8 O6 S16 Zn2 -","2","1","","Nathan L. Bill; Masatoshi Ishida; Steffen Bähring; Jong Min Lim; Sangsu Lee; Christina M. Davis; Vincent M. Lynch; Kent A. Nielsen; Jan O. Jeppesen; Kei Ohkubo; Shunichi Fukuzumi; Dongho Kim; Jonathan L. Sessler","Porphyrins Fused with Strongly Electron-Donating 1,3-Dithiol-2-ylidene Moieties: Redox Control by Metal Cation Complexation and Anion Binding","Journal of the American Chemical Society","2013","135","","10852","10862","10.1021/ja404830y","","","0.71075","MoKα","","0.094","0.0747","","","0.1954","0.2182","","","","","","0.993","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120156","15.5587","0.0013","17.401","0.0015","24.074","0.002","90","","102.706","0.005","90","","6358.1","0.9","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H68 Cl3 N5 S8 Zn -","- C59 H68 Cl3 N5 S8 Zn -","- C236 H272 Cl12 N20 S32 Zn4 -","4","1","","Nathan L. Bill; Masatoshi Ishida; Steffen Bähring; Jong Min Lim; Sangsu Lee; Christina M. Davis; Vincent M. Lynch; Kent A. Nielsen; Jan O. Jeppesen; Kei Ohkubo; Shunichi Fukuzumi; Dongho Kim; Jonathan L. Sessler","Porphyrins Fused with Strongly Electron-Donating 1,3-Dithiol-2-ylidene Moieties: Redox Control by Metal Cation Complexation and Anion Binding","Journal of the American Chemical Society","2013","135","","10852","10862","10.1021/ja404830y","","","0.71073","MoKα","","0.22","0.2099","","","0.5358","0.5424","","","","","","1.249","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120157","16.7804","0.0002","9.29733","0.00011","13.69152","0.00018","90","","90","","90","","2136.05","0.05","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H21 N O2 -","- C30 H21 N O2 -","- C120 H84 N4 O8 -","4","1","","Johnathon D. Dooley; Suresh Reddy Chidipudi; Hon Wai Lam","Catalyst-Controlled Divergent C-H Functionalization of Unsymmetrical 2-Aryl Cyclic 1,3-Dicarbonyl Compounds with Alkynes and Alkenes","Journal of the American Chemical Society","2013","135","","10829","10836","10.1021/ja404867k","","","1.54184","CuKα","","0.0317","0.0297","","","0.0739","0.0753","","","","","","1.053","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120158","11.8817","0.0003","18.9488","0.0003","12.107","0.0003","90","","111.233","0.003","90","","2540.78","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 N2 O6 -","- C31 H24 N2 O6 -","- C124 H96 N8 O24 -","4","1","","Johnathon D. Dooley; Suresh Reddy Chidipudi; Hon Wai Lam","Catalyst-Controlled Divergent C-H Functionalization of Unsymmetrical 2-Aryl Cyclic 1,3-Dicarbonyl Compounds with Alkynes and Alkenes","Journal of the American Chemical Society","2013","135","","10829","10836","10.1021/ja404867k","","","1.54184","CuKα","","0.0575","0.0494","","","0.1133","0.1178","","","","","","1.104","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120159","9.7088","0.0003","11.6094","0.0004","19.1012","0.0007","90","","98.573","0.003","90","","2128.9","0.13","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O2 -","- C28 H25 N O2 -","- C112 H100 N4 O8 -","4","1","","Johnathon D. Dooley; Suresh Reddy Chidipudi; Hon Wai Lam","Catalyst-Controlled Divergent C-H Functionalization of Unsymmetrical 2-Aryl Cyclic 1,3-Dicarbonyl Compounds with Alkynes and Alkenes","Journal of the American Chemical Society","2013","135","","10829","10836","10.1021/ja404867k","","","0.71073","MoKα","","0.0727","0.0684","","","0.1665","0.1687","","","","","","1.129","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120160","5.4774","0.0004","16.6056","0.0012","23.5794","0.0018","90","","95.581","0.007","90","","2134.5","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 N O2 -","- C30 H21 N O2 -","- C120 H84 N4 O8 -","4","1","","Johnathon D. Dooley; Suresh Reddy Chidipudi; Hon Wai Lam","Catalyst-Controlled Divergent C-H Functionalization of Unsymmetrical 2-Aryl Cyclic 1,3-Dicarbonyl Compounds with Alkynes and Alkenes","Journal of the American Chemical Society","2013","135","","10829","10836","10.1021/ja404867k","","","1.54184","CuKα","","0.0841","0.0576","","","0.1343","0.161","","","","","","1.049","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120161","7.07237","0.00005","14.23564","0.00009","20.25493","0.00014","90","","90","","90","","2039.26","0.02","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O2 -","- C28 H25 N O2 -","- C112 H100 N4 O8 -","4","1","","Johnathon D. Dooley; Suresh Reddy Chidipudi; Hon Wai Lam","Catalyst-Controlled Divergent C-H Functionalization of Unsymmetrical 2-Aryl Cyclic 1,3-Dicarbonyl Compounds with Alkynes and Alkenes","Journal of the American Chemical Society","2013","135","","10829","10836","10.1021/ja404867k","","","1.54184","CuKα","","0.0264","0.0251","","","0.063","0.0643","","","","","","1.033","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120162","7.67232","0.00018","11.2894","0.0003","22.5206","0.0005","90","","97.592","0.002","90","","1933.54","0.08","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H19 N O4 S -","- C24 H19 N O4 S -","- C96 H76 N4 O16 S4 -","4","2","","Johnathon D. Dooley; Suresh Reddy Chidipudi; Hon Wai Lam","Catalyst-Controlled Divergent C-H Functionalization of Unsymmetrical 2-Aryl Cyclic 1,3-Dicarbonyl Compounds with Alkynes and Alkenes","Journal of the American Chemical Society","2013","135","","10829","10836","10.1021/ja404867k","","","1.54184","CuKα","","0.0591","0.0566","","","0.1428","0.1447","","","","","","1.035","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120163","11.0793","0.0003","8.2902","0.0002","21.2285","0.0006","90","","93.035","0.003","90","","1947.09","0.09","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O4 S -","- C24 H19 N O4 S -","- C96 H76 N4 O16 S4 -","4","1","","Johnathon D. Dooley; Suresh Reddy Chidipudi; Hon Wai Lam","Catalyst-Controlled Divergent C-H Functionalization of Unsymmetrical 2-Aryl Cyclic 1,3-Dicarbonyl Compounds with Alkynes and Alkenes","Journal of the American Chemical Society","2013","135","","10829","10836","10.1021/ja404867k","","","0.71073","MoKα","","0.0558","0.0412","","","0.079","0.0846","","","","","","1.063","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120164","8.4853","0.0003","10.8613","0.0004","17.6979","0.0006","90","","90","","90","","1631.06","0.1","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C76 H72 O12 S4 -","4","1","","Wen-Bo Liu; Corey M. Reeves; Scott C. Virgil; Brian M. Stoltz","Construction of Vicinal Tertiary and All-Carbon Quaternary Stereocenters via Ir-Catalyzed Regio-, Diastereo-, and Enantioselective Allylic Alkylation and Applications in Sequential Pd Catalysis","Journal of the American Chemical Society","2013","135","","10626","10629","10.1021/ja4052075","","","0.71073","MoKα","","0.0694","0.0483","","","0.0806","0.0846","","","","","","1.546","","","","has coordinates,has disorder,has Fobs","178978","2020-10-21","18:00:00",""
"4120165","12.4072","0.0002","13.2641","0.0002","7.6196","0.0001","90","","96.37","0.001","90","","1246.22","0.03","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Tian-Jun Gong; Bin Xiao; Wan-Min Cheng; Wei Su; Jun Xu; Zhao-Jing Liu; Lei Liu; Yao Fu","Rhodium-Catalyzed Directed C-H Cyanation of Arenes with N-Cyano-N-phenyl-p-toluenesulfonamide","Journal of the American Chemical Society","2013","135","","10630","10633","10.1021/ja405742y","","","1.54184","CuKα","","0.0444","0.0397","","","0.1056","0.1102","","","","","","1.042","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120166","9.905","0.0003","11.2173","0.0003","18.9185","0.0006","90","","90","","90","","2101.98","0.11","100","2","99.97","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 B F4 N3 O -","- C22 H24 B F4 N3 O -","- C88 H96 B4 F16 N12 O4 -","4","1","","Javier Izquierdo; Ane Orue; Karl A. Scheidt","A Dual Lewis Base Activation Strategy for Enantioselective Carbene-Catalyzed Annulations","Journal of the American Chemical Society","2013","135","","10634","10637","10.1021/ja405833m","","","1.54178","CuKα","","0.0264","0.0247","","","0.0612","0.0624","","","","","","1.022","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120167","5.9141","0.0003","12.8128","0.0006","17.2988","0.0008","90","","90","","90","","1310.84","0.11","100","2","99.99","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","","Javier Izquierdo; Ane Orue; Karl A. Scheidt","A Dual Lewis Base Activation Strategy for Enantioselective Carbene-Catalyzed Annulations","Journal of the American Chemical Society","2013","135","","10634","10637","10.1021/ja405833m","","","1.54178","CuKα","","0.0237","0.0218","","","0.0645","0.0781","","","","","","1.233","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120168","6.8419","0.0003","8.842","0.0003","22.3994","0.0007","90","","90","","90","","1355.08","0.09","100","2","100.04","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C64 H52 Br4 O8 -","4","1","","Javier Izquierdo; Ane Orue; Karl A. Scheidt","A Dual Lewis Base Activation Strategy for Enantioselective Carbene-Catalyzed Annulations","Journal of the American Chemical Society","2013","135","","10634","10637","10.1021/ja405833m","","","1.54178","CuKα","","0.041","0.0333","","","0.0737","0.0768","","","","","","1.015","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120169","7.3733","0.0003","6.0822","0.0003","9.3401","0.0004","90","","100.71","0.002","90","","411.57","0.03","100","2","99.99","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H10 O2 -","- C10 H10 O2 -","- C20 H20 O4 -","2","1","","Javier Izquierdo; Ane Orue; Karl A. Scheidt","A Dual Lewis Base Activation Strategy for Enantioselective Carbene-Catalyzed Annulations","Journal of the American Chemical Society","2013","135","","10634","10637","10.1021/ja405833m","","","1.54178","CuKα","","0.0248","0.0244","","","0.0638","0.067","","","","","","1.099","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120170","7.6908","0.0004","8.6402","0.0004","14.6823","0.0007","106.878","0.002","91.715","0.002","99.131","0.002","918.8","0.08","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 Cl N2 O -","- C20 H25 Cl N2 O -","- C40 H50 Cl2 N4 O2 -","2","1","","Javier Izquierdo; Ane Orue; Karl A. Scheidt","A Dual Lewis Base Activation Strategy for Enantioselective Carbene-Catalyzed Annulations","Journal of the American Chemical Society","2013","135","","10634","10637","10.1021/ja405833m","","","1.54178","CuKα","","0.0279","0.0276","","","0.0704","0.0708","","","","","","1.042","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120171","8.6386","0.0005","8.6386","0.0005","21.963","0.002","90","","90","","120","","1419.41","0.17","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au6.4 Ba2 Zn2.6 -","- Au6.402 Ba2 Zn2.598 -","- Au38.412 Ba12 Zn15.588 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.0359","0.0311","","","0.0726","0.0746","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120172","8.6645","0.0012","8.6645","0.0012","22.325","0.005","90","","90","","120","","1451.5","0.4","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au7.97 Ba2 Zn1.03 -","- Au7.968 Ba2 Zn1.032 -","- Au47.808 Ba12 Zn6.192 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.0517","0.0351","","","0.0716","0.0771","","","","","","1.038","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120173","8.8112","0.0005","8.8112","0.0005","22.308","0.003","90","","90","","120","","1499.9","0.2","273","2","273","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au8.06 Ba2 Sn0.94 -","- Au8.058 Ba2 Sn0.942 -","- Au48.348 Ba12 Sn5.652 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.0299","0.0227","","","0.0471","0.0492","","","","","","1.065","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120174","8.6747","0.0005","8.6747","0.0005","22.004","0.005","90","","90","","120","","1434","0.3","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au7.11 Ba2 Zn1.89 -","- Au7.113 Ba2 Zn1.887 -","- Au42.678 Ba12 Zn11.322 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.031","0.0231","","","0.0392","0.0408","","","","","","1.07","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120175","8.6762","0.0006","8.6762","0.0006","22.238","0.002","90","","90","","120","","1449.72","0.19","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au7.89 Ba2 Zn1.11 -","- Au7.89 Ba2 Zn1.11 -","- Au47.34 Ba12 Zn6.66 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.0561","0.0411","","","0.0774","0.0821","","","","","","1.112","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120176","8.8352","0.0004","8.8352","0.0004","22.51","0.001","90","","90","","120","","1521.73","0.12","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au6.94 Ba2 Cd2.06 -","- Au6.945 Ba2 Cd2.055 -","- Au41.67 Ba12 Cd12.33 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.0284","0.0205","","","0.0426","0.044","","","","","","1.018","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120177","8.7186","0.0008","8.7186","0.0008","21.816","0.002","90","","90","","120","","1436.1","0.2","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au6.81 Ba2 Ga2.19 -","- Au6.81 Ba2 Ga2.19 -","- Au40.86 Ba12 Ga13.14 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.0299","0.0225","","","0.0443","0.0455","","","","","","0.941","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120178","8.8478","0.0008","8.8478","0.0008","22.487","0.003","90","","90","","120","","1524.5","0.3","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au6.97 Ba2 In2.03 -","- Au6.969 Ba2 In2.031 -","- Au41.814 Ba12 In12.186 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.0328","0.0234","","","0.0412","0.0431","","","","","","0.976","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120179","7.998","0.0016","12.678","0.003","28.966","0.006","90","","93.78","0.03","90","","2930.7","1.1","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 B F4 I N P2 Rh -","- C24 H46 B F4 I N P2 Rh -","- C96 H184 B4 F16 I4 N4 P8 Rh4 -","4","1","","Moran Feller; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Direct Observation of Reductive Elimination of MeX (X = Cl, Br, I) from RhIII Complexes: Mechanistic Insight and the Importance of Sterics","Journal of the American Chemical Society","2013","135","","11040","11047","10.1021/ja401852c","","","0.71073","MoKα","","0.0419","0.0295","","","0.0597","0.0632","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120180","12.63","0.003","7.905","0.0016","28.775","0.006","90","","92.12","0.03","90","","2870.9","1.1","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 B Br F4 N P2 Rh -","- C24 H46 B Br F4 N P2 Rh -","- C96 H184 B4 Br4 F16 N4 P8 Rh4 -","4","1","","Moran Feller; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Direct Observation of Reductive Elimination of MeX (X = Cl, Br, I) from RhIII Complexes: Mechanistic Insight and the Importance of Sterics","Journal of the American Chemical Society","2013","135","","11040","11047","10.1021/ja401852c","","","0.71073","MoKα","","0.0659","0.0399","","","0.0807","0.0862","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4120181","12.6136","0.0002","7.8592","0.0001","28.6247","0.0005","90","","92.968","0.0009","90","","2833.84","0.08","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 B Cl F4 N P2 Rh -","- C24 H46 B Cl F4 N P2 Rh -","- C96 H184 B4 Cl4 F16 N4 P8 Rh4 -","4","1","","Moran Feller; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Direct Observation of Reductive Elimination of MeX (X = Cl, Br, I) from RhIII Complexes: Mechanistic Insight and the Importance of Sterics","Journal of the American Chemical Society","2013","135","","11040","11047","10.1021/ja401852c","","","0.71073","MoKα","","0.0902","0.0559","","","0.137","0.1599","","","","","","0.992","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120182","13.3722","0.0002","21.6932","0.0003","13.9191","0.0003","90","","91.4252","0.0005","90","","4036.48","0.12","120","2","120","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C34 H57 B Cl2 F4 I N2 P2 Rh -","- C34 H57 B Cl2 F4 I N2 P2 Rh -","- C136 H228 B4 Cl8 F16 I4 N8 P8 Rh4 -","4","1","","Moran Feller; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Direct Observation of Reductive Elimination of MeX (X = Cl, Br, I) from RhIII Complexes: Mechanistic Insight and the Importance of Sterics","Journal of the American Chemical Society","2013","135","","11040","11047","10.1021/ja401852c","","","0.71073","MoKα","","0.0635","0.0381","","","0.0869","0.0952","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120183","7.8269","0.0002","11.2717","0.0003","30.4115","0.0008","87.5844","0.001","87.4471","0.0012","74.2329","0.0011","2578.21","0.12","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H38 B F4 I N P2 Rh -","- C20 H38 B F4 I N P2 Rh -","- C80 H152 B4 F16 I4 N4 P8 Rh4 -","4","2","","Moran Feller; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Direct Observation of Reductive Elimination of MeX (X = Cl, Br, I) from RhIII Complexes: Mechanistic Insight and the Importance of Sterics","Journal of the American Chemical Society","2013","135","","11040","11047","10.1021/ja401852c","","","0.71073","MoKα","","0.0772","0.067","","","0.1413","0.144","","","","","","1.329","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120184","7.7491","0.0006","11.2556","0.0007","30.108","0.002","87.191","0.003","87.508","0.004","73.93","0.003","2519.2","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H38 B Br F4 N P2 Rh -","- C20 H38 B Br F4 N P2 Rh -","- C80 H152 B4 Br4 F16 N4 P8 Rh4 -","4","2","","Moran Feller; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Direct Observation of Reductive Elimination of MeX (X = Cl, Br, I) from RhIII Complexes: Mechanistic Insight and the Importance of Sterics","Journal of the American Chemical Society","2013","135","","11040","11047","10.1021/ja401852c","","","0.71073","MoKα","","0.0439","0.0332","","","0.0654","0.0684","","","","","","1.093","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120185","7.7456","0.0003","29.8765","0.001","11.2637","0.0004","90","","106.398","0.002","90","","2500.52","0.16","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C20 H38 B Cl F4 N P2 Rh -","- C20 H38 B Cl F4 N P2 Rh -","- C80 H152 B4 Cl4 F16 N4 P8 Rh4 -","4","2","","Moran Feller; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Direct Observation of Reductive Elimination of MeX (X = Cl, Br, I) from RhIII Complexes: Mechanistic Insight and the Importance of Sterics","Journal of the American Chemical Society","2013","135","","11040","11047","10.1021/ja401852c","","","0.71073","MoKα","","0.0299","0.0271","","","0.064","0.065","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120186","15.3625","0.0004","11.9931","0.0003","15.2949","0.0004","90","","104.103","0.0015","90","","2733.06","0.12","120","2","120","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 B F4 I N O P2 Rh -","- C21 H38 B F4 I N O P2 Rh -","- C84 H152 B4 F16 I4 N4 O4 P8 Rh4 -","4","1","","Moran Feller; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Direct Observation of Reductive Elimination of MeX (X = Cl, Br, I) from RhIII Complexes: Mechanistic Insight and the Importance of Sterics","Journal of the American Chemical Society","2013","135","","11040","11047","10.1021/ja401852c","","","0.71073","MoKα","","0.0745","0.0546","","","0.1193","0.1249","","","","","","1.104","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4120187","14.1006","0.0003","11.7405","0.0003","16.5928","0.0003","90","","113.672","0.0011","90","","2515.78","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 I2 N P2 Rh -","- C20 H38 I2 N P2 Rh -","- C80 H152 I8 N4 P8 Rh4 -","4","1","","Moran Feller; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Direct Observation of Reductive Elimination of MeX (X = Cl, Br, I) from RhIII Complexes: Mechanistic Insight and the Importance of Sterics","Journal of the American Chemical Society","2013","135","","11040","11047","10.1021/ja401852c","","","0.71073","MoKα","","0.0732","0.0577","","","0.1411","0.1544","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120188","13.314","0.0007","13.6374","0.0006","22.7765","0.0012","99.1974","0.0018","91.652","0.002","95.523","0.005","4059.3","0.4","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H44 Cl2 F6 N8 O10 S3 -","- C30 H44 Cl2 F6 N8 O10 S3 -","- C120 H176 Cl8 F24 N32 O40 S12 -","4","2","","Naohiro Takemoto; Tetsuya Suehara; Heidie L. Frisco; Shin-ichi Sato; Takuhito Sezaki; Kosuke Kusamori; Yoshinori Kawazoe; Sun Min Park; Sayumi Yamazoe; Yoshiyuki Mizuhata; Rintaro Inoue; Gavin J. Miller; Steen U. Hansen; Gordon C. Jayson; John M. Gardiner; Toshiji Kanaya; Norihiro Tokitoh; Kazumitsu Ueda; Yoshinobu Takakura; Noriyuki Kioka; Makiya Nishikawa; Motonari Uesugi","Small-Molecule-Induced Clustering of Heparan Sulfate Promotes Cell Adhesion","Journal of the American Chemical Society","2013","135","","11032","11039","10.1021/ja4018682","","","0.71069","MoKα","","0.1712","0.0914","","","0.2132","0.2692","","","","","","1.024","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120189","9.5412","0.0002","15.319","0.0004","27.2286","0.0006","90","","90","","90","","3979.78","0.16","173","2","173","2","","","101","","","","","3","P b c a","-P 2ac 2ab","61","diphenyl(2,6-diisopropylphenyl)phosphine","diphenyl(2,6-diisopropylphenyl)phosphane(III)","","- C24 H27 P -","- C24 H27 P -","- C192 H216 P8 -","8","1","","John P. Bullock; Alan M. Bond; René T. Boeré; Twyla M. Gietz; Tracey L. Roemmele; Sonja D. Seagrave; Jason D. Masuda; Masood Parvez","Synthesis, Characterization, and Electrochemical Studies of PPh3-n (dipp)n(dipp = 2,6-Diisopropylphenyl): Steric and Electronic Effects on the Chemical and Electrochemical Oxidation of a Homologous Series of Triarylphosphines and the Reactivities of the Corresponding Phosphoniumyl Radical Cations","Journal of the American Chemical Society","2013","135","","11205","11215","10.1021/ja403555d","","x-ray","0.71073","MoKα","","0.1024","0.0473","","","0.1071","0.1271","","","","","","0.994","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4120190","23.172","0.004","9.478","0.002","23.634","0.005","90","","97.907","0.013","90","","5141.2","1.8","173","2","173","2","","","101","","","","","3","P 1 21/n 1","-P 2yn","14","bis(2,6-diisopropylphenyl)phenylphosphine","bis(2,6-diisopropylphenyl)phenylphosphane(III)","","- C30 H39 P -","- C30 H39 P -","- C240 H312 P8 -","8","2","","John P. Bullock; Alan M. Bond; René T. Boeré; Twyla M. Gietz; Tracey L. Roemmele; Sonja D. Seagrave; Jason D. Masuda; Masood Parvez","Synthesis, Characterization, and Electrochemical Studies of PPh3-n (dipp)n(dipp = 2,6-Diisopropylphenyl): Steric and Electronic Effects on the Chemical and Electrochemical Oxidation of a Homologous Series of Triarylphosphines and the Reactivities of the Corresponding Phosphoniumyl Radical Cations","Journal of the American Chemical Society","2013","135","","11205","11215","10.1021/ja403555d","","x-ray","0.71073","MoKα","","0.0912","0.0501","","","0.1305","0.1605","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120191","8.651","0.004","9.19","0.004","14.84","0.007","80.043","0.005","80.584","0.005","67.536","0.005","1067.7","0.8","173","2","173","2","","","101","","","","","6","P -1","-P 1","2","DippPh2PCuCl complex","bis(mu2-Chloro)-bis( diphenyl(2,6-diisopropylphenyl)phosphane)-di-copper","","- C48 H54 Cl1.54 Cu1.54 O0.46 P2 -","- C48 H54 Cl1.542 Cu1.542 O0.458 P2 -","- C48 H54 Cl1.542 Cu1.542 O0.458 P2 -","1","0.5","","John P. Bullock; Alan M. Bond; René T. Boeré; Twyla M. Gietz; Tracey L. Roemmele; Sonja D. Seagrave; Jason D. Masuda; Masood Parvez","Synthesis, Characterization, and Electrochemical Studies of PPh3-n (dipp)n(dipp = 2,6-Diisopropylphenyl): Steric and Electronic Effects on the Chemical and Electrochemical Oxidation of a Homologous Series of Triarylphosphines and the Reactivities of the Corresponding Phosphoniumyl Radical Cations","Journal of the American Chemical Society","2013","135","","11205","11215","10.1021/ja403555d","","x-ray","0.71073","MoKα","","0.1225","0.1007","","","0.2598","0.2697","","","","","","1.128","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4120192","8.267","0.003","27.892","0.01","9.275","0.002","90","","113.529","0.018","90","","1960.8","1.1","173","2","173","2","","","101","","","","","4","P 1 21/n 1","-P 2yn","14","diphenyl(2,6-diisopropylphenyl)phosphine oxide","oxo-diphenyl(2,6-diisopropylphenyl)phosphane(V)","","- C24 H27 O P -","- C24 H27 O P -","- C96 H108 O4 P4 -","4","1","","John P. Bullock; Alan M. Bond; René T. Boeré; Twyla M. Gietz; Tracey L. Roemmele; Sonja D. Seagrave; Jason D. Masuda; Masood Parvez","Synthesis, Characterization, and Electrochemical Studies of PPh3-n (dipp)n(dipp = 2,6-Diisopropylphenyl): Steric and Electronic Effects on the Chemical and Electrochemical Oxidation of a Homologous Series of Triarylphosphines and the Reactivities of the Corresponding Phosphoniumyl Radical Cations","Journal of the American Chemical Society","2013","135","","11205","11215","10.1021/ja403555d","","x-ray","0.71073","MoKα","","0.0729","0.0459","","","0.0969","0.1093","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120193","8.98","0.003","14.34","0.006","16.412","0.005","90","","92.64","0.02","90","","2111.2","1.3","123","2","123","2","","","101","","","","","4","P 1 21/n 1","-P 2yn","14","diphenyl(2,6-diisopropylphenyl)phosphine sulfide","sulfido-diphenyl(2,6-diisopropylphenyl)phosphane(V)","","- C24 H27 P S -","- C24 H27 P S -","- C96 H108 P4 S4 -","4","1","","John P. Bullock; Alan M. Bond; René T. Boeré; Twyla M. Gietz; Tracey L. Roemmele; Sonja D. Seagrave; Jason D. Masuda; Masood Parvez","Synthesis, Characterization, and Electrochemical Studies of PPh3-n (dipp)n(dipp = 2,6-Diisopropylphenyl): Steric and Electronic Effects on the Chemical and Electrochemical Oxidation of a Homologous Series of Triarylphosphines and the Reactivities of the Corresponding Phosphoniumyl Radical Cations","Journal of the American Chemical Society","2013","135","","11205","11215","10.1021/ja403555d","","x-ray","0.71073","MoKα","","0.0671","0.0457","","","0.1095","0.1227","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120194","8.993","0.002","14.346","0.005","16.535","0.005","90","","92.924","0.017","90","","2130.5","1.1","123","2","123","2","","","101","","","","","4","P 1 21/n 1","-P 2yn","14","diphenyl(2,6-diisopropylphenyl)phosphine selenide","seleno-diphenyl(2,6-diisopropylphenyl)phosphane(V)","","- C24 H27 P Se -","- C24 H27 P Se -","- C96 H108 P4 Se4 -","4","1","","John P. Bullock; Alan M. Bond; René T. Boeré; Twyla M. Gietz; Tracey L. Roemmele; Sonja D. Seagrave; Jason D. Masuda; Masood Parvez","Synthesis, Characterization, and Electrochemical Studies of PPh3-n (dipp)n(dipp = 2,6-Diisopropylphenyl): Steric and Electronic Effects on the Chemical and Electrochemical Oxidation of a Homologous Series of Triarylphosphines and the Reactivities of the Corresponding Phosphoniumyl Radical Cations","Journal of the American Chemical Society","2013","135","","11205","11215","10.1021/ja403555d","","x-ray","0.71073","MoKα","","0.0638","0.037","","","0.0724","0.082","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120195","20.561","0.003","9.232","0.003","14.145","0.006","90","","90","","90","","2685","1.5","173","2","173","2","","","101","","","","","4","P n a 21","P 2c -2n","33","bis(2,6-diisopropylphenyl)phenylphosphine oxide","oxo bis(2,6-diisopropylphenyl)phenylphosphane(V)","","- C30 H39 O P -","- C30 H39 O P -","- C120 H156 O4 P4 -","4","1","","John P. Bullock; Alan M. Bond; René T. Boeré; Twyla M. Gietz; Tracey L. Roemmele; Sonja D. Seagrave; Jason D. Masuda; Masood Parvez","Synthesis, Characterization, and Electrochemical Studies of PPh3-n (dipp)n(dipp = 2,6-Diisopropylphenyl): Steric and Electronic Effects on the Chemical and Electrochemical Oxidation of a Homologous Series of Triarylphosphines and the Reactivities of the Corresponding Phosphoniumyl Radical Cations","Journal of the American Chemical Society","2013","135","","11205","11215","10.1021/ja403555d","","x-ray","0.71073","MoKα","","0.0485","0.0363","","","0.0834","0.0895","","","","","","1.03","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120196","9.574","0.002","9.592","0.003","16.439","0.006","97.676","0.016","96.38","0.02","113.27","0.02","1352","0.8","173","2","173","2","","","101","","","","","4","P -1","-P 1","2","bis(2,6-diisopropylphenyl)phenylphosphine sulfide","sulfido bis(2,6-diisopropylphenyl)phenylphosphane(V)","","- C30 H39 P S -","- C30 H39 P S -","- C60 H78 P2 S2 -","2","1","","John P. Bullock; Alan M. Bond; René T. Boeré; Twyla M. Gietz; Tracey L. Roemmele; Sonja D. Seagrave; Jason D. Masuda; Masood Parvez","Synthesis, Characterization, and Electrochemical Studies of PPh3-n (dipp)n(dipp = 2,6-Diisopropylphenyl): Steric and Electronic Effects on the Chemical and Electrochemical Oxidation of a Homologous Series of Triarylphosphines and the Reactivities of the Corresponding Phosphoniumyl Radical Cations","Journal of the American Chemical Society","2013","135","","11205","11215","10.1021/ja403555d","","x-ray","0.71073","MoKα","","0.0648","0.0466","","","0.109","0.1169","","","","","","1.069","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120197","10.758","0.002","16.149","0.003","31.435","0.007","90","","94.595","0.011","90","","5443.7","1.9","173","2","173","2","","","101","","","","","4","C 1 c 1","C -2yc","9","bis(2,6-diisopropylphenyl)phenylphosphine selenide","seleno bis(2,6-diisopropylphenyl)phenylphosphane(V)","","- C30 H39 P Se -","- C30 H39 P Se -","- C240 H312 P8 Se8 -","8","2","","John P. Bullock; Alan M. Bond; René T. Boeré; Twyla M. Gietz; Tracey L. Roemmele; Sonja D. Seagrave; Jason D. Masuda; Masood Parvez","Synthesis, Characterization, and Electrochemical Studies of PPh3-n (dipp)n(dipp = 2,6-Diisopropylphenyl): Steric and Electronic Effects on the Chemical and Electrochemical Oxidation of a Homologous Series of Triarylphosphines and the Reactivities of the Corresponding Phosphoniumyl Radical Cations","Journal of the American Chemical Society","2013","135","","11205","11215","10.1021/ja403555d","","x-ray","0.71073","MoKα","","0.0707","0.0574","","","0.1332","0.1429","","","","","","1.003","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120198","21.9415","0.0003","8.3165","0.0001","16.4075","0.0002","90","","117.259","0.001","90","","2661.49","0.06","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","","Udayanga Wanninayake; Kevin D. Walker","A Bacterial Tyrosine Aminomutase Proceeds through Retention or Inversion of Stereochemistry To Catalyze Its Isomerization Reaction","Journal of the American Chemical Society","2013","135","","11193","11204","10.1021/ja403918w","","x-ray","1.54178","CuKα","","0.0451","0.036","","","0.0883","0.0943","","","","","","1.029","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120199","21.9423","0.0002","8.3189","0.0001","16.4072","0.0002","90","","117.262","0.001","90","","2662.23","0.06","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 D N O4 -","- C16 H12 D N O4 -","- C128 H96 D8 N8 O32 -","8","1","","Udayanga Wanninayake; Kevin D. Walker","A Bacterial Tyrosine Aminomutase Proceeds through Retention or Inversion of Stereochemistry To Catalyze Its Isomerization Reaction","Journal of the American Chemical Society","2013","135","","11193","11204","10.1021/ja403918w","","x-ray","1.54178","CuKα","","0.0351","0.0338","","","0.0847","0.0861","","","","","","1.05","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120200","18.342","0.005","20.4","0.006","23.191","0.007","90","","113.17","0.004","90","","7978","4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C90 H98 Cl2 O8 P2 Pt -","- C90 H98 Cl2 O8 P2 Pt -","- C360 H392 Cl8 O32 P8 Pt4 -","4","2","","John R. Coombs; Fredrik Haeffner; Laura T. Kliman; James P. Morken","Scope and Mechanism of the Pt-Catalyzed Enantioselective Diboration of Monosubstituted Alkenes","Journal of the American Chemical Society","2013","135","","11222","11231","10.1021/ja4041016","","","0.71073","MoKα","","0.0607","0.0467","","","0.0782","0.0837","","","","","","1.006","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120201","14.0289","0.0014","21.112","0.002","15.0439","0.0015","90","","98.568","0.001","90","","4405.9","0.7","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2a","","","- C16 H24 B10 Co O S2 -","- C16 H24 B10 Co O S2 -","- C128 H192 B80 Co8 O8 S16 -","8","2","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.049","0.0358","","","0.0953","0.1","","","","","","0.974","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120202","7.942","0.003","11.222","0.004","14.595","0.006","93.069","0.005","95.311","0.005","104.603","0.006","1249.4","0.8","293","2","291","2","","","","","","","","6","P -1","-P 1","2","2b","","","- C21 H26 B10 Co O S2 -","- C21 H26 B10 Co O S2 -","- C42 H52 B20 Co2 O2 S4 -","2","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0853","0.0639","","","0.1368","0.1419","","","","","","1.048","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120203","19.797","0.004","23.085","0.002","23.685","0.003","90","","104.314","0.003","90","","10488","3","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","3b","","","- C68 H98 B40 Co2 O7 S8 -","- C68 H98 B40 Co2 O7 S8 -","- C272 H392 B160 Co8 O28 S32 -","4","0.5","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0997","0.0643","","","0.1202","0.1286","","","","","","1.035","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120204","13.1554","0.001","22.5085","0.0017","33.078","0.003","90","","90","","90","","9794.7","1.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","3d","","","- C40 H50 B20 Co Fe2 O2 S4 -","- C40 H50 B20 Co Fe2 O2 S4 -","- C320 H400 B160 Co8 Fe16 O16 S32 -","8","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.084","0.049","","","0.1095","0.1256","","","","","","1.031","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120205","10.3433","0.0009","11.1006","0.0006","11.5196","0.0006","92.719","0.006","110.076","0.003","117.114","0.003","1072.37","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","4a","","","- C16 H23 B10 Co O S2 -","- C16 H23 B10 Co O S2 -","- C32 H46 B20 Co2 O2 S4 -","2","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0634","0.0541","","","0.1471","0.1557","","","","","","1.066","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120206","11.1032","0.0012","19.663","0.002","11.7381","0.0013","90","","92.862","0.002","90","","2559.5","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 B10 Co O S2 -","- C21 H25 B10 Co O S2 -","- C84 H100 B40 Co4 O4 S8 -","4","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0696","0.0497","","","0.1059","0.1104","","","","","","1.055","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120207","11.012","0.002","11.929","0.002","15.63","0.003","90","","108.286","0.002","90","","1949.5","0.6","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5b","","","- C16 H22 B10 O S -","- C16 H22 B10 O S -","- C64 H88 B40 O4 S4 -","4","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0642","0.0513","","","0.1453","0.1537","","","","","","1.127","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120208","12.276","0.006","13.616","0.007","27.616","0.014","90","","90","","90","","4616","4","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","5d","","","- C20 H26 B10 Fe O S -","- C20 H26 B10 Fe O S -","- C160 H208 B80 Fe8 O8 S8 -","8","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0719","0.0544","","","0.122","0.1275","","","","","","1.05","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120209","22.919","0.004","14.761","0.003","13.662","0.003","90","","101.919","0.003","90","","4522.3","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6d","","","- C20 H26 B10 Fe O S -","- C20 H26 B10 Fe O S -","- C160 H208 B80 Fe8 O8 S8 -","8","2","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0806","0.0668","","","0.1632","0.1684","","","","","","1.082","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120210","11.5384","0.0018","13.4259","0.0011","22.357","0.0015","107.473","0.002","94.976","0.003","90.0002","","3289.9","0.6","291","2","291","2","","","","","","","","7","P -1","-P 1","2","7b","","","- C29.5 H33 B10 Cl Fe O2 S2 -","- C29.5 H33 B10 Cl Fe O2 S2 -","- C118 H132 B40 Cl4 Fe4 O8 S8 -","4","2","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0775","0.0558","","","0.1381","0.1447","","","","","","1.005","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120211","7.136","0.002","12.966","0.004","19.116","0.007","78.168","0.004","80.25","0.004","81.993","0.004","1696.1","0.9","291","2","291","2","","","","","","","","6","P -1","-P 1","2","7d","","","- C33 H36 B10 Fe2 O2 S2 -","- C33 H36 B10 Fe2 O2 S2 -","- C66 H72 B20 Fe4 O4 S4 -","2","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0678","0.0542","","","0.1183","0.1213","","","","","","1.096","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120212","27.962","0.004","11.778","0.0018","23.345","0.004","90","","94.41","0.002","90","","7666","2","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","7d","","","- C33 H39 B10 Fe2 O3 S2 -","- C33 H38 B10 Fe2 O3 S2 -","- C264 H304 B80 Fe16 O24 S16 -","8","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0712","0.052","","","0.118","0.1228","","","","","","1.046","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120213","7.6391","0.0012","12.9332","0.0014","18.1192","0.0016","69.207","0.002","80.139","0.003","80.777","0.002","1639.2","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","8c","","","- C31 H34 B10 Fe O2 S2 -","- C31 H34 B10 Fe O2 S2 -","- C62 H68 B20 Fe2 O4 S4 -","2","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0743","0.0554","","","0.1194","0.1248","","","","","","1.013","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120214","7.4352","0.0013","13.18","0.002","19.944","0.004","70.982","0.003","82.748","0.003","75.681","0.003","1788.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","8d","","","- C33 H36 B10 Fe2 O2 S2 -","- C33 H36 B10 Fe2 O2 S2 -","- C66 H72 B20 Fe4 O4 S4 -","2","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0715","0.0496","","","0.1201","0.1308","","","","","","0.968","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120215","7.3433","0.0005","28.044","0.002","15.4321","0.001","90","","103.764","0.003","90","","3086.8","0.4","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","9b","","","- C29 H32 B10 Fe O2 S2 -","- C29 H32 B10 Fe O2 S2 -","- C116 H128 B40 Fe4 O8 S8 -","4","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0793","0.0626","","","0.146","0.1516","","","","","","1.119","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120216","7.049","0.0005","15.7707","0.0011","31.054","0.002","90","","90","","90","","3452.2","0.4","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","10b","","","- C116 H130 B40 Fe4 O9 S8 -","- C116 H130 B40 Fe4 O9 S8 -","- C116 H130 B40 Fe4 O9 S8 -","1","0.25","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0916","0.0552","","","0.1192","0.1438","","","","","","1.102","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120217","19.5786","0.0004","32.8041","0.0006","31.8927","0.0006","90","","98.922","0.0007","90","","20235.5","0.7","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C246 H148 Co8 S15 -","- C246 H148 Co8 S15 -","- C984 H592 Co32 S60 -","4","1","","Masashi Maruyama; Kenta Imoto; Matthias König; Dirk M. Guldi; Shin-ichi Ohkoshi; Eiichi Nakamura; Yutaka Matsuo","Selective Synthesis of Co8S15 Cluster in Bowl-Shaped Template of the Pentaaryl[60]fullerene Ligand","Journal of the American Chemical Society","2013","135","","10914","10917","10.1021/ja405045t","","","1.54187","CuKα","","0.2776","0.1147","","","0.2168","0.2918","","","","","","1.097","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120218","7.4768","0.0015","14.377","0.003","15.145","0.004","115.82","0.007","99.384","0.01","99.565","0.015","1393.3","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H11 N2 O27 P6 Zn3 -","- C7 H11 N2 O27 P6 Zn3 -","- C14 H22 N4 O54 P12 Zn6 -","2","1","","Daiki Umeyama; Satoshi Horike; Munehiro Inukai; Susumu Kitagawa","Integration of Intrinsic Proton Conduction and Guest-Accessible Nanospace into a Coordination Polymer","Journal of the American Chemical Society","2013","135","","11345","11350","10.1021/ja4051668","","","0.71075","MoKα","","0.0866","0.0649","","","0.1851","0.2051","","","","","","1.224","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120219","24.0912","0.0009","24.0912","0.0009","24.0912","0.0009","90","","90","","90","","13982.2","0.9","296","2","296","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C36 H54 N3 O V -","- C36 H54 N3 O V -","- C576 H864 N48 O16 V16 -","16","0.333333","","Taryn D. Palluccio; Elena V. Rybak-Akimova; Subhojit Majumdar; Xiaochen Cai; Megan Chui; Manuel Temprado; Jared S. Silvia; Anthony F. Cozzolino; Daniel Tofan; Alexandra Velian; Christopher C. Cummins; Burjor Captain; Carl D. Hoff","Thermodynamic and Kinetic Study of Cleavage of the N-O Bond of N-Oxides by a Vanadium(III) Complex: Enhanced Oxygen Atom Transfer Reaction Rates for Adducts of Nitrous Oxide and Mesityl Nitrile Oxide","Journal of the American Chemical Society","2013","135","","11357","11372","10.1021/ja405395z","","","0.71073","MoKα","","0.0495","0.036","","","0.0911","0.1007","","","","","","1.047","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120220","11.1855","0.0007","15.8829","0.001","6.0465","0.0004","90","","90","","90","","1074.21","0.12","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","0.5","","Taryn D. Palluccio; Elena V. Rybak-Akimova; Subhojit Majumdar; Xiaochen Cai; Megan Chui; Manuel Temprado; Jared S. Silvia; Anthony F. Cozzolino; Daniel Tofan; Alexandra Velian; Christopher C. Cummins; Burjor Captain; Carl D. Hoff","Thermodynamic and Kinetic Study of Cleavage of the N-O Bond of N-Oxides by a Vanadium(III) Complex: Enhanced Oxygen Atom Transfer Reaction Rates for Adducts of Nitrous Oxide and Mesityl Nitrile Oxide","Journal of the American Chemical Society","2013","135","","11357","11372","10.1021/ja405395z","","","0.71073","MoKα","","0.0566","0.045","","","0.121","0.1328","","","","","","1.049","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120221","32.3397","0.0007","32.3397","0.0007","13.7255","0.0003","90","","90","","120","","12431.7","0.5","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","MPM-1-TIFSIX","","","- C24 H26 Cu2 F12 N22 Ti2 -","- C24 H26 Cu2 F12 N22 Ti2 -","- C216 H234 Cu18 F108 N198 Ti18 -","9","0.25","","Patrick S. Nugent; Vanessah Lou Rhodus; Tony Pham; Katherine Forrest; Lukasz Wojtas; Brian Space; Michael J. Zaworotko","A Robust Molecular Porous Material with High CO2 Uptake and Selectivity","Journal of the American Chemical Society","2013","135","","10950","10953","10.1021/ja4054948","","","1.54178","CuKα","","0.0626","0.0584","","","0.1742","0.1822","","","","","","1.052","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120222","28.977","0.006","7.7766","0.0013","17.185","0.003","90","","92.712","0.002","90","","3868.2","1.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 N2 O Pd -","- C26 H18 N2 O Pd -","- C208 H144 N16 O8 Pd8 -","8","1","","Kota Sasano; Jun Takaya; Nobuharu Iwasawa","Palladium(II)-Catalyzed Direct Carboxylation of Alkenyl C-H Bonds with CO2","Journal of the American Chemical Society","2013","135","","10954","10957","10.1021/ja405503y","","","0.71075","MoKα","","0.0416","0.0367","","","0.0807","0.0837","","","","","","1.125","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120223","9.403","0.004","12.127","0.005","14.748","0.005","109.83","0.005","94.785","0.006","100.526","0.002","1536","1.1","138","2","138","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H35 Cs O5 Pd -","- C34 H19 Cs O5 Pd -","- C68 H38 Cs2 O10 Pd2 -","2","1","","Kota Sasano; Jun Takaya; Nobuharu Iwasawa","Palladium(II)-Catalyzed Direct Carboxylation of Alkenyl C-H Bonds with CO2","Journal of the American Chemical Society","2013","135","","10954","10957","10.1021/ja405503y","","","0.71073","MoKα","","0.1055","0.0802","","","0.2317","0.287","","","","","","1.124","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120224","14.7885","0.0018","15.481","0.002","14.806","0.002","90","","98.104","0.011","90","","3355.8","0.8","153","2","153","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C35 H52 N4 O4 -","- C35 H52 N4 O4 -","- C140 H208 N16 O16 -","4","1","","Zhiguo Bian; Christopher C. Marvin; Stephen F. Martin","Enantioselective Total Synthesis of (-)-Citrinadin A and Revision of Its Stereochemical Structure","Journal of the American Chemical Society","2013","135","","10886","10889","10.1021/ja405547f","","","0.71075","MoKα","","0.0462","0.0428","","","0.1099","0.1123","","","","","","1.07","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120225","7.341","0.0006","15.7811","0.0013","22.181","0.002","90","","90","","90","","2569.6","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 Br N2 O3 -","- C29 H35 Br N2 O3 -","- C116 H140 Br4 N8 O12 -","4","1","","Ke Kong; John A. Enquist; Monica E. McCallum; Genessa M. Smith; Takanori Matsumaru; Elnaz Menhaji-Klotz; John L. Wood","An Enantioselective Total Synthesis and Stereochemical Revision of (+)-Citrinadin B","Journal of the American Chemical Society","2013","135","","10890","10893","10.1021/ja405548b","","","0.71073","MoKα","","0.048","0.034","","","0.0851","0.0909","","","","","","1.019","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120226","7.4679","0.0003","13.9184","0.0006","21.9214","0.0009","90","","90","","90","","2278.54","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 O3 -","- C28 H32 N2 O3 -","- C112 H128 N8 O12 -","4","1","","Ke Kong; John A. Enquist; Monica E. McCallum; Genessa M. Smith; Takanori Matsumaru; Elnaz Menhaji-Klotz; John L. Wood","An Enantioselective Total Synthesis and Stereochemical Revision of (+)-Citrinadin B","Journal of the American Chemical Society","2013","135","","10890","10893","10.1021/ja405548b","","","0.71073","MoKα","","0.0631","0.0452","","","0.1048","0.1148","","","","","","0.99","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120227","7.4734","0.0015","12.225","0.002","27.512","0.006","90","","90","","90","","2513.6","0.9","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 O4 -","- C31 H32 O4 -","- C124 H128 O16 -","4","1","","Shu-Yan Yu; Hao Zhang; Yang Gao; Lei Mo; Shaozhong Wang; Zhu-Jun Yao","Asymmetric Cascade Annulation Based on Enantioselective Oxa-Diels-Alder Cycloaddition of in Situ Generated Isochromenyliums by Cooperative Binary Catalysis of Pd(OAc)2 and (S)-Trip","Journal of the American Chemical Society","2013","135","","11402","11407","10.1021/ja405764p","","","1.54178","CuKα","","0.0406","0.0402","","","0.1115","0.1121","","","","","","1.058","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120228","13.1073","0.0019","13.1073","0.0019","12.63","0.003","90","","90","","120","","1879.1","0.6","296","2","296","2","","","","","","","","3","P 32","P 32","145","","","","- C31 H32 O4 -","- C31 H32 O4 -","- C93 H96 O12 -","3","1","","Shu-Yan Yu; Hao Zhang; Yang Gao; Lei Mo; Shaozhong Wang; Zhu-Jun Yao","Asymmetric Cascade Annulation Based on Enantioselective Oxa-Diels-Alder Cycloaddition of in Situ Generated Isochromenyliums by Cooperative Binary Catalysis of Pd(OAc)2 and (S)-Trip","Journal of the American Chemical Society","2013","135","","11402","11407","10.1021/ja405764p","","","1.54178","CuKα","","0.0285","0.0285","","","0.0763","0.0764","","","","","","1.059","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120229","7.485","0.0015","8.276","0.0017","34.345","0.007","90","","90","","90","","2127.5","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br O4 -","- C25 H21 Br O4 -","- C100 H84 Br4 O16 -","4","1","","Shu-Yan Yu; Hao Zhang; Yang Gao; Lei Mo; Shaozhong Wang; Zhu-Jun Yao","Asymmetric Cascade Annulation Based on Enantioselective Oxa-Diels-Alder Cycloaddition of in Situ Generated Isochromenyliums by Cooperative Binary Catalysis of Pd(OAc)2 and (S)-Trip","Journal of the American Chemical Society","2013","135","","11402","11407","10.1021/ja405764p","","","0.71073","MoKα","","0.1434","0.0668","","","0.1066","0.1268","","","","","","1.004","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120230","10.174","","11.562","","20.412","","90","","90","","90","","2401.1","","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 O4 -","- C30 H30 O4 -","- C120 H120 O16 -","4","1","","Shu-Yan Yu; Hao Zhang; Yang Gao; Lei Mo; Shaozhong Wang; Zhu-Jun Yao","Asymmetric Cascade Annulation Based on Enantioselective Oxa-Diels-Alder Cycloaddition of in Situ Generated Isochromenyliums by Cooperative Binary Catalysis of Pd(OAc)2 and (S)-Trip","Journal of the American Chemical Society","2013","135","","11402","11407","10.1021/ja405764p","","","1.54184","CuKα","","0.0723","0.066","","","0.1695","0.1923","","","","","","1.124","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120231","15.563","0.003","21.504","0.004","17.424","0.004","90","","90","","90","","5831","2","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C67 H58 Cl2 O14 -","- C67 H58 Cl2 O14 -","- C268 H232 Cl8 O56 -","4","0.5","","Shu-Yan Yu; Hao Zhang; Yang Gao; Lei Mo; Shaozhong Wang; Zhu-Jun Yao","Asymmetric Cascade Annulation Based on Enantioselective Oxa-Diels-Alder Cycloaddition of in Situ Generated Isochromenyliums by Cooperative Binary Catalysis of Pd(OAc)2 and (S)-Trip","Journal of the American Chemical Society","2013","135","","11402","11407","10.1021/ja405764p","","","1.54178","CuKα","","0.0391","0.0384","","","0.1108","0.1117","","","","","","1.055","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120232","12.829","0.011","12.878","0.011","21.754","0.015","82.843","0.017","81.29","0.03","89.02","0.02","3525","5","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C70 H67 B2 F24 P Ru S -","- C70 H67 B2 F24 P Ru S -","- C140 H134 B4 F48 P2 Ru2 S2 -","2","1","","Timo Stahl; Kristine Müther; Yasuhiro Ohki; Kazuyuki Tatsumi; Martin Oestreich","Catalytic Generation of Borenium Ions by Cooperative B-H Bond Activation: The Elusive Direct Electrophilic Borylation of Nitrogen Heterocycles with Pinacolborane","Journal of the American Chemical Society","2013","135","","10978","10981","10.1021/ja405925w","","","0.7107","MoKα","","","0.0772","","","","0.2227","","","","","","1.076","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120233","24.846","0.012","13.173","0.006","7.666","0.004","90","","90","","90","","2509","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Cl N4 O2 -","- C28 H23 Cl N4 O2 -","- C112 H92 Cl4 N16 O8 -","4","1","","Feng Zhou; Chen Tan; Jing Tang; Yan-Yan Zhang; Wei-Ming Gao; Hai-Hong Wu; Yi-Hua Yu; Jian Zhou","Asymmetric Copper(I)-Catalyzed Azide-Alkyne Cycloaddition to Quaternary Oxindoles","Journal of the American Chemical Society","2013","135","","10994","10997","10.1021/ja4066656","","","0.71073","MoKα","","0.0894","0.0669","","","0.1661","0.1848","","","","","","1.044","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120234","30.69","0.003","6.5952","0.0006","12.824","0.0009","90","","91.558","0.006","90","","2594.7","0.4","","","300","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C36 I6 N12 S3 Zn3 -","- C36 I6 N12 S3 Zn3 -","- C72 I12 N24 S6 Zn6 -","2","1","","Hiroyoshi Ohtsu; Wanuk Choi; Nazrul Islam; Yoshitaka Matsushita; Masaki Kawano","Selective Trapping of Labile S3 in a Porous Coordination Network and the Direct X-ray Observation","Journal of the American Chemical Society","2013","135","","11449","11452","10.1021/ja4046718","powder diffraction","","0.65297","synchrotron","","","0.029","","","0.0351","","","","","","","","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120235","30.971","0.003","12.8472","0.0006","13.087","0.001","90","","90","","90","","5207.2","0.7","","","300","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C36 I6 N12 S6 Zn3 -","- C72 I10 N24 S6 Zn5 -","- C144 I20 N48 S12 Zn10 -","2","0.25","","Hiroyoshi Ohtsu; Wanuk Choi; Nazrul Islam; Yoshitaka Matsushita; Masaki Kawano","Selective Trapping of Labile S3 in a Porous Coordination Network and the Direct X-ray Observation","Journal of the American Chemical Society","2013","135","","11449","11452","10.1021/ja4046718","powder diffraction","","1.5494","synchrotron","","","0.0434","","","0.0592","","","","","","","","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120236","16.91","0.02","5.089","0.006","18.16","0.02","90","","108.224","0.017","90","","1484","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C8-NDTI","","","- C34 H38 N2 O4 S2 -","- C34 H38 N2 O4 S2 -","- C68 H76 N4 O8 S4 -","2","0.5","","Yuta Fukutomi; Masahiro Nakano; Jian-Yong Hu; Itaru Osaka; Kazuo Takimiya","Naphthodithiophenediimide (NDTI): Synthesis, Structure, and Applications","Journal of the American Chemical Society","2013","135","","11445","11448","10.1021/ja404753r","","","0.71073","MoKα","","0.1838","0.07","","","0.1715","0.2246","","","","","","0.989","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120237","9.3778","0.0009","13.4883","0.0012","31.293","0.003","90","","90","","90","","3958.3","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H47 N7 O7 -","- C44 H47 N7 O7 -","- C176 H188 N28 O28 -","4","1","","Roshna V. Nair; Sanjeev Kheria; Suresh Rayavarapu; Amol S. Kotmale; Bharatam Jagadeesh; Rajesh G. Gonnade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","A Synthetic Zipper Peptide Motif Orchestrated via Co-operative Interplay of Hydrogen Bonding, Aromatic Stacking, and Backbone Chirality","Journal of the American Chemical Society","2013","135","","11477","11480","10.1021/ja405455g","","","0.71073","MoKα","","0.0563","0.0497","","","0.0948","0.0975","","","","","","1.165","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120238","12.654","0.0018","16.041","0.002","20.114","0.003","90.701","0.008","105.291","0.008","104.722","0.008","3795.2","0.9","97","2","97","2","","","","","","","","5","P 1","P 1","1","","","","- C40.25 H45.5 Br N6 O9 -","- C38.25 H38 Br1.125 N6 O7.25 -","- C153 H152 Br4.5 N24 O29 -","4","4","","Roshna V. Nair; Sanjeev Kheria; Suresh Rayavarapu; Amol S. Kotmale; Bharatam Jagadeesh; Rajesh G. Gonnade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","A Synthetic Zipper Peptide Motif Orchestrated via Co-operative Interplay of Hydrogen Bonding, Aromatic Stacking, and Backbone Chirality","Journal of the American Chemical Society","2013","135","","11477","11480","10.1021/ja405455g","","","0.71073","MoKα","","0.1636","0.1384","","","0.386","0.3983","","","","","","1.514","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120239","10.2506","0.0005","19.2039","0.0009","21.4853","0.001","90","","90","","90","","4229.4","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","foldamers","","","- C44 H51 N7 O9 -","- C44 H47 N7 O9 -","- C176 H188 N28 O36 -","4","1","","Roshna V. Nair; Sanjeev Kheria; Suresh Rayavarapu; Amol S. Kotmale; Bharatam Jagadeesh; Rajesh G. Gonnade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","A Synthetic Zipper Peptide Motif Orchestrated via Co-operative Interplay of Hydrogen Bonding, Aromatic Stacking, and Backbone Chirality","Journal of the American Chemical Society","2013","135","","11477","11480","10.1021/ja405455g","","","0.71073","MoKα","","0.0936","0.0857","","","0.1797","0.183","","","","","","1.348","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120240","13.4009","0.0012","16.1929","0.0015","26.619","0.002","90","","90.117","0.004","90","","5776.3","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Cr0.5 N4 P2 -","- C30 H32 Cr0.5 N4 P2 -","- C240 H256 Cr4 N32 P16 -","8","1","","Michael T. Mock; Shentan Chen; Molly O'Hagan; Roger Rousseau; William G. Dougherty; W. Scott Kassel; R. Morris Bullock","Dinitrogen Reduction by a Chromium(0) Complex Supported by a 16-Membered Phosphorus Macrocycle","Journal of the American Chemical Society","2013","135","","11493","11496","10.1021/ja405668u","","","0.71073","MoKα","","0.0919","0.0492","","","0.1051","0.1212","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120241","9.0093","0.0005","13.4763","0.0008","14.3888","0.0009","67.617","0.003","78.022","0.003","71.001","0.003","1520.36","0.16","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H40 Cl Cr0.5 N2 O P2 -","- C34 H40 Cl Cr0.5 N2 O P2 -","- C68 H80 Cl2 Cr N4 O2 P4 -","2","1","","Michael T. Mock; Shentan Chen; Molly O'Hagan; Roger Rousseau; William G. Dougherty; W. Scott Kassel; R. Morris Bullock","Dinitrogen Reduction by a Chromium(0) Complex Supported by a 16-Membered Phosphorus Macrocycle","Journal of the American Chemical Society","2013","135","","11493","11496","10.1021/ja405668u","","","0.71073","MoKα","","0.1708","0.0662","","","0.0677","0.0834","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120242","13.5892","0.0004","18.8021","0.0006","22.1635","0.0007","79.576","0.002","87.43","0.002","86.743","0.002","5557","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C121 H130 Cl4 Cr2 N8 O0.25 P8 -","- C121 H130 Cl4 Cr2 N8 O0.25 P8 -","- C242 H260 Cl8 Cr4 N16 O0.5 P16 -","2","1","","Michael T. Mock; Shentan Chen; Molly O'Hagan; Roger Rousseau; William G. Dougherty; W. Scott Kassel; R. Morris Bullock","Dinitrogen Reduction by a Chromium(0) Complex Supported by a 16-Membered Phosphorus Macrocycle","Journal of the American Chemical Society","2013","135","","11493","11496","10.1021/ja405668u","","","0.71073","MoKα","","0.0979","0.0513","","","0.1136","0.1377","","","","","","1.006","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120243","15.5327","0.0011","15.5382","0.0012","17.1832","0.0013","90","","96.408","0.002","90","","4121.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H48 Cl3 Cr N3 P3 -","- C45 H48 Cl3 Cr N3 P3 -","- C180 H192 Cl12 Cr4 N12 P12 -","4","1","","Michael T. Mock; Shentan Chen; Molly O'Hagan; Roger Rousseau; William G. Dougherty; W. Scott Kassel; R. Morris Bullock","Dinitrogen Reduction by a Chromium(0) Complex Supported by a 16-Membered Phosphorus Macrocycle","Journal of the American Chemical Society","2013","135","","11493","11496","10.1021/ja405668u","","","0.71073","MoKα","","0.0354","0.0278","","","0.0719","0.0759","","","","","","1.009","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120244","8.378","0.002","9.574","0.003","17.66","0.005","90","","90","","90","","1416.5","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 I O2 -","- C14 H15 I O2 -","- C56 H60 I4 O8 -","4","1","","Yuli Wang; Wanli Zhang; Shengming Ma","A Room-Temperature Catalytic Asymmetric Synthesis of Allenes with ECNU-Phos","Journal of the American Chemical Society","2013","135","","11517","11520","10.1021/ja406135t","","","0.71073","MoKα","","0.0206","0.0191","","","0.0444","0.0454","","","","","","1.058","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120245","10.3998","0.0006","17.909","0.0009","20.9073","0.0012","90","","90.258","0.002","90","","3893.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 Cl Mn P4 Sn -","- C36 H58 Cl Mn P4 Sn -","- C144 H232 Cl4 Mn4 P16 Sn4 -","4","1","","Alexander C. Filippou; Priyabrata Ghana; Uttam Chakraborty; Gregor Schnakenburg","Manganese-Tin Triple Bonds: A New Synthetic Route to the Manganese Stannylidyne Complex Cation trans-[H(dmpe)2Mn\τbSn(C6H3-2,6-Mes2)]+ (dmpe = Me2PCH2CH2PMe2, Mes = 2,4,6-Trimethylphenyl)","Journal of the American Chemical Society","2013","135","","11525","11528","10.1021/ja406290t","","","0.71073","MoKα","","0.0335","0.0235","","","0.052","0.0551","","","","","","1.012","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120246","19.4964","0.0003","15.7107","0.0004","25.8856","0.0006","90","","97.7733","0.0012","90","","7856","0.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74 H75 B F25 Mn P4 Sn -","- C74 H75 B F25 Mn P4 Sn -","- C296 H300 B4 F100 Mn4 P16 Sn4 -","4","1","","Alexander C. Filippou; Priyabrata Ghana; Uttam Chakraborty; Gregor Schnakenburg","Manganese-Tin Triple Bonds: A New Synthetic Route to the Manganese Stannylidyne Complex Cation trans-[H(dmpe)2Mn\τbSn(C6H3-2,6-Mes2)]+ (dmpe = Me2PCH2CH2PMe2, Mes = 2,4,6-Trimethylphenyl)","Journal of the American Chemical Society","2013","135","","11525","11528","10.1021/ja406290t","","","0.71073","MoKα","","0.0768","0.0445","","","0.1166","0.1281","","","","","","0.998","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120247","26.128","0.003","15.348","0.0015","15.9352","0.0015","90","","126.412","0.005","90","","5142.7","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N6 O3 -","- C24 H18 N6 O3 -","- C192 H144 N48 O24 -","8","1","","Xu-Zhong Luo; Xin-Jian Jia; Ji-Hua Deng; Jin-Lian Zhong; Hui-Jin Liu; Ke-Jun Wang; Di-Chang Zhong","A Microporous Hydrogen-Bonded Organic Framework: Exceptional Stability and Highly Selective Adsorption of Gas and Liquid","Journal of the American Chemical Society","2013","135","","11684","11687","10.1021/ja403002m","","","0.71073","MoKα","","0.0961","0.0509","","","0.1157","0.1289","","","","","","1.03","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120248","4.7028","0.0011","8.146","0.0018","7.7921","0.0018","90","","90","","90","","298.51","0.12","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ag0.93 Ca0.91 La0.09 Sb -","- Ag0.929 Ca0.881 La0.119 Sb -","- Ag3.716 Ca3.524 La0.476 Sb4 -","4","0.5","","Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao","Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance","Journal of the American Chemical Society","2013","135","","11840","11848","10.1021/ja403653m","","","0.71073","MoKα","","0.0311","0.027","","","0.0624","0.0642","","","","","","1.299","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120249","4.7029","0.0008","4.7029","0.0008","7.7921","0.0018","90","","90","","120","","149.25","0.05","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ag0.92 Ca0.89 La0.11 Sb -","- Ag0.919 Ca0.894 La0.106 Sb -","- Ag1.838 Ca1.788 La0.212 Sb2 -","2","0.166667","","Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao","Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance","Journal of the American Chemical Society","2013","135","","11840","11848","10.1021/ja403653m","","","0.71073","MoKα","","0.0287","0.0256","","","0.0607","0.0624","","","","","","1.444","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120250","4.7023","0.0006","4.7023","0.0006","7.7951","0.0011","90","","90","","120","","149.27","0.03","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ag0.9 Ca0.84 Ce0.16 Sb -","- Ag0.898 Ca0.838 Ce0.162 Sb -","- Ag1.796 Ca1.676 Ce0.324 Sb2 -","2","0.166667","","Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao","Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance","Journal of the American Chemical Society","2013","135","","11840","11848","10.1021/ja403653m","","","0.71073","MoKα","","0.0207","0.0194","","","0.0492","0.0499","","","","","","1.178","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120251","4.7057","0.0005","4.7057","0.0005","7.788","0.0017","90","","90","","120","","149.35","0.04","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ag0.86 Ca0.87 Pr0.14 Sb -","- Ag0.857 Ca0.865 Pr0.135 Sb -","- Ag1.714 Ca1.73 Pr0.27 Sb2 -","2","0.166667","","Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao","Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance","Journal of the American Chemical Society","2013","135","","11840","11848","10.1021/ja403653m","","","0.71073","MoKα","","0.0253","0.0227","","","0.0545","0.0553","","","","","","1.212","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120252","4.6931","0.0012","4.6931","0.0012","7.753","0.002","90","","90","","120","","147.88","0.07","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ag0.87 Ca0.86 Nd0.14 Sb -","- Ag0.866 Ca0.859 Nd0.141 Sb -","- Ag1.732 Ca1.718 Nd0.282 Sb2 -","2","0.166667","","Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao","Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance","Journal of the American Chemical Society","2013","135","","11840","11848","10.1021/ja403653m","","","0.71073","MoKα","","0.0297","0.0234","","","0.0441","0.0464","","","","","","1.122","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120253","4.7008","0.0009","4.7008","0.0009","7.759","0.003","90","","90","","120","","148.48","0.07","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ag0.88 Ca0.83 Sb Sm0.17 -","- Ag0.878 Ca0.832 Sb Sm0.168 -","- Ag1.756 Ca1.664 Sb2 Sm0.336 -","2","0.166667","","Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao","Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance","Journal of the American Chemical Society","2013","135","","11840","11848","10.1021/ja403653m","","","0.71073","MoKα","","0.0325","0.0267","","","0.0598","0.0621","","","","","","1.137","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120254","62.039","0.005","62.039","0.005","62.039","0.005","90","","90","","90","","238778","3","296","2","296","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","bio-MOF-101","","","- C46 H26 N10 O13 Zn4 -","- C46 H26 N10 O13 Zn4 -","- C2208 H1248 N480 O624 Zn192 -","48","0.5","","Tao Li; Mark T. Kozlowski; Evan A. Doud; Maike N. Blakely; Nathaniel L. Rosi","Stepwise Ligand Exchange for the Preparation of a Family of Mesoporous MOFs","Journal of the American Chemical Society","2013","135","","11688","11691","10.1021/ja403810k","","","1.54178","CuKα","","0.066","0.0536","","","0.1678","0.1757","","","","","","1.171","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120255","75.2379","0.0013","75.2379","0.0013","75.2379","0.0013","90","","90","","90","","425902","13","296","2","296","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","bio-MOF-102","","","- C52 H32 N16 O13 Zn4 -","- C52 H32 N16 O13 Zn4 -","- C2496 H1536 N768 O624 Zn192 -","48","0.5","","Tao Li; Mark T. Kozlowski; Evan A. Doud; Maike N. Blakely; Nathaniel L. Rosi","Stepwise Ligand Exchange for the Preparation of a Family of Mesoporous MOFs","Journal of the American Chemical Society","2013","135","","11688","11691","10.1021/ja403810k","","","1.54178","CuKα","","0.2843","0.238","","","0.5382","0.5803","","","","","","2.616","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120256","8.4166","0.0004","23.9579","0.001","20.3078","0.0009","90","","101.433","0.001","90","","4013.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ZCl","","","- C36 H22.25 Cl11.75 N4 Zn -","- C36 H22.2528 Cl11.7472 N4 Zn -","- C144 H89.0112 Cl46.9888 N16 Zn4 -","4","1","","Cong Trinh; Kent O. Kirlikovali; Andrew N. Bartynski; Christopher J. Tassone; Michael F. Toney; George F. Burkhard; Michael D. McGehee; Peter I. Djurovich; Mark E. Thompson","Efficient Energy Sensitization of C60 and Application to Organic Photovoltaics","Journal of the American Chemical Society","2013","135","","11920","11928","10.1021/ja4043356","","","0.71073","MoKα","","0.036","0.0278","","","0.0633","0.0665","","","","","","1.031","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120257","13.7927","0.0016","17.481","0.002","18.899","0.002","102.133","0.001","107.461","0.001","100.693","0.001","4095.9","0.8","193","2","193","2","","","","","","","","10","P -1","-P 1","2","","","","- C78 H50 B2 F30 Fe N2 Ni O3 P2 S2 -","- C69 H30 B2 F30 Fe N2 Ni O2 P2 S2 -","- C138 H60 B4 F60 Fe2 N4 Ni2 O4 P4 S4 -","2","1","","Brian C. Manor; Thomas B. Rauchfuss","Hydrogen Activation by Biomimetic [NiFe]-Hydrogenase Model Containing Protected Cyanide Cofactors","Journal of the American Chemical Society","2013","135","","11895","11900","10.1021/ja404580r","","","0.71073","MoKα","","0.049","0.0363","","","0.097","0.1035","","","","","","1.01","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120258","14.598","0.002","15.368","0.002","19.946","0.003","95.559","0.002","98.804","0.002","113.598","0.002","3990","1","183","2","183","2","","","","","","","","11","P -1","-P 1","2","","","","- C77 H53 B2 Cl2 F30 Fe N3 Ni O P2 S2 -","- C76 H51 B2 F30 Fe N3 Ni O P2 S2 -","- C152 H102 B4 F60 Fe2 N6 Ni2 O2 P4 S4 -","2","1","","Brian C. Manor; Thomas B. Rauchfuss","Hydrogen Activation by Biomimetic [NiFe]-Hydrogenase Model Containing Protected Cyanide Cofactors","Journal of the American Chemical Society","2013","135","","11895","11900","10.1021/ja404580r","","","0.71073","MoKα","","0.047","0.0353","","","0.086","0.0908","","","","","","1.047","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120259","20.2084","0.0005","3.98043","0.00009","15.7991","0.0004","90","","109.387","0.0013","90","","1198.79","0.05","293","2","293","2","","","","","","","synthesis as described","6","C 1 c 1","C -2yc","9","","","","- C10 H10 F4 N3 Nb O -","- C10 H10 F4 N3 Nb O -","- C40 H40 F16 N12 Nb4 O4 -","4","1","","Hongcheng Lu; Romain Gautier; Martin D. Donakowski; T.Thao Tran; Bryce W. Edwards; Juan C. Nino; P. Shiv Halasyamani; Zhengtang Liu; Kenneth R. Poeppelmeier","Nonlinear Active Materials: An Illustration of Controllable Phase Matchability","Journal of the American Chemical Society","2013","135","","11942","11950","10.1021/ja4050604","","x-ray","1.54178","CuKα","","0.0223","0.0222","","","0.0592","0.0595","","","","","","1.11","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120260","7.2697","0.0004","9.0944","0.0005","9.758","0.0005","63.3821","0.0022","73.8095","0.002","80.3976","0.0023","553.23","0.05","100","2","100","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C20 H24 F5 N6 Nb O3 -","- C20 H24 F5 N6 Nb O3 -","- C20 H24 F5 N6 Nb O3 -","1","1","","Hongcheng Lu; Romain Gautier; Martin D. Donakowski; T.Thao Tran; Bryce W. Edwards; Juan C. Nino; P. Shiv Halasyamani; Zhengtang Liu; Kenneth R. Poeppelmeier","Nonlinear Active Materials: An Illustration of Controllable Phase Matchability","Journal of the American Chemical Society","2013","135","","11942","11950","10.1021/ja4050604","","x-ray","0.71069","MoKα","","0.0383","0.0354","","","0.09","0.0927","","","","","","1.078","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120261","11.90205","0.00011","11.90205","","29.692","0.0004","90","","90","","120","","3642.62","0.06","","","","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C8 F N2 O20 Si10 -","- C8 F N2 O20 Si10 -","- C48 F6 N12 O120 Si60 -","6","0.5","","Alex Rojas; Oriol Arteaga; Bart Kahr; Miguel A. Camblor","Synthesis, Structure, and Optical Activity of HPM-1, a Pure Silica Chiral Zeolite","Journal of the American Chemical Society","2013","135","","11975","11984","10.1021/ja405088c","powder diffraction","x-ray","0.4995","","","","","","","","","0.06209","","1.86","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120262","10.3471","0.0009","10.6302","0.0008","11.6411","0.0009","90","","114.972","0.005","90","","1160.72","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 N2 O2 -","- C11 H18 N2 O2 -","- C44 H72 N8 O8 -","4","1","","Yan-Bo Wang; Yi-Ming Wang; Wen-Zhen Zhang; Xiao-Bing Lu","Fast CO2 Sequestration, Activation, and Catalytic Transformation Using N-Heterocyclic Olefins","Journal of the American Chemical Society","2013","135","","11996","12003","10.1021/ja405114e","","","0.71073","MoKα","","0.0567","0.0419","","","0.1051","0.1128","","","","","","1.066","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4120263","8.6696","0.0006","12.5616","0.0008","9.3007","0.0006","90","","110.499","0.003","90","","948.75","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 N2 O2 -","- C9 H14 N2 O2 -","- C36 H56 N8 O8 -","4","1","","Yan-Bo Wang; Yi-Ming Wang; Wen-Zhen Zhang; Xiao-Bing Lu","Fast CO2 Sequestration, Activation, and Catalytic Transformation Using N-Heterocyclic Olefins","Journal of the American Chemical Society","2013","135","","11996","12003","10.1021/ja405114e","","","0.71073","MoKα","","0.0556","0.0451","","","0.1225","0.1284","","","","","","1.079","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4120264","8.44","0.003","8.862","0.003","13.239","0.004","90","","90","","90","","990.2","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 N2 O2 -","- C10 H16 N2 O2 -","- C40 H64 N8 O8 -","4","1","","Yan-Bo Wang; Yi-Ming Wang; Wen-Zhen Zhang; Xiao-Bing Lu","Fast CO2 Sequestration, Activation, and Catalytic Transformation Using N-Heterocyclic Olefins","Journal of the American Chemical Society","2013","135","","11996","12003","10.1021/ja405114e","","","0.71073","MoKα","","0.1041","0.0648","","","0.1531","0.1689","","","","","","1.05","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4120265","9.7049","0.0002","10.8957","0.0003","12.1847","0.0003","107.104","0.002","102.097","0.002","99.967","0.002","1165.51","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Cl4 N2 O2 -","- C20 H28 Cl4 N2 O2 -","- C40 H56 Cl8 N4 O4 -","2","1","","Yan-Bo Wang; Yi-Ming Wang; Wen-Zhen Zhang; Xiao-Bing Lu","Fast CO2 Sequestration, Activation, and Catalytic Transformation Using N-Heterocyclic Olefins","Journal of the American Chemical Society","2013","135","","11996","12003","10.1021/ja405114e","","","0.71073","MoKα","","0.0541","0.0421","","","0.1083","0.1151","","","","","","1.069","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4120266","10.5264","0.0002","15.4743","0.0003","11.5956","0.0002","90","","104.73","0.001","90","","1826.72","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C80 H112 N8 O8 -","4","1","","Yan-Bo Wang; Yi-Ming Wang; Wen-Zhen Zhang; Xiao-Bing Lu","Fast CO2 Sequestration, Activation, and Catalytic Transformation Using N-Heterocyclic Olefins","Journal of the American Chemical Society","2013","135","","11996","12003","10.1021/ja405114e","","","0.71073","MoKα","","0.0646","0.0451","","","0.1107","0.1199","","","","","","1.07","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4120267","17.382","0.002","7.0482","0.0009","30.384","0.004","90","","90","","90","","3722.4","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C152 H208 N16 O16 -","8","1","","Yan-Bo Wang; Yi-Ming Wang; Wen-Zhen Zhang; Xiao-Bing Lu","Fast CO2 Sequestration, Activation, and Catalytic Transformation Using N-Heterocyclic Olefins","Journal of the American Chemical Society","2013","135","","11996","12003","10.1021/ja405114e","","","0.71073","MoKα","","0.0754","0.0517","","","0.1272","0.1444","","","","","","1.039","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4120268","10.6455","0.0005","15.534","0.0007","27.0655","0.0012","90","","91.767","0.003","90","","4473.6","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[(mu-OAc)(Br)Co(Medoen)Mg(Me3TACN)]BPh4","","- C45 H60 B Br Co Mg N7 O4 -","- C45 H60 B Br Co Mg N7 O4 -","- C180 H240 B4 Br4 Co4 Mg4 N28 O16 -","4","1","","Christopher Uyeda; Jonas C. Peters","Selective Nitrite Reduction at Heterobimetallic CoMg Complexes","Journal of the American Chemical Society","2013","135","","12023","12031","10.1021/ja4053653","","","0.71073","MoKα","","0.0545","0.0353","","","0.0787","0.0857","","","","","","1.033","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120269","13.7524","0.0008","14.0032","0.0008","17.5215","0.001","103.512","0.003","99.587","0.003","100.736","0.003","3144.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","[(PPh3)Co(Medoen)Mg(Me3TACN)(THF)]BPh4","","- C69 H88 B Co Mg N7 O4 P -","- C69 H88 B Co Mg N7 O4 P -","- C138 H176 B2 Co2 Mg2 N14 O8 P2 -","2","1","","Christopher Uyeda; Jonas C. Peters","Selective Nitrite Reduction at Heterobimetallic CoMg Complexes","Journal of the American Chemical Society","2013","135","","12023","12031","10.1021/ja4053653","","","0.71073","MoKα","","0.0813","0.0428","","","0.1003","0.1167","","","","","","1.03","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120270","22.7508","0.0011","13.7761","0.0008","22.5814","0.0013","90","","90","","90","","7077.4","0.7","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","(mu-NO2)Co(Medoen)Mg(Me3TACN)","","- C29 H57 Co Mg N8 O6.5 -","- C29.734 H50.984 Co Mg N8 O6 -","- C237.872 H407.872 Co8 Mg8 N64 O48 -","8","1","","Christopher Uyeda; Jonas C. Peters","Selective Nitrite Reduction at Heterobimetallic CoMg Complexes","Journal of the American Chemical Society","2013","135","","12023","12031","10.1021/ja4053653","","","0.71073","MoKα","","0.1577","0.0881","","","0.1968","0.2239","","","","","","1.084","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120271","11.6227","0.0013","11.9467","0.0014","15.4979","0.0018","84.582","0.002","79.196","0.002","83.448","0.002","2094.1","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","[(mu-NO2)Co(Medoen)Mg(Me3TACN)]BPh4","","- C43 H57 B Cl0 Co Mg N8 O4 -","- C43 H57 B Cl0.137 Co Mg N7.863 O3.726 -","- C86 H114 B2 Cl0.274 Co2 Mg2 N15.726 O7.452 -","2","1","","Christopher Uyeda; Jonas C. Peters","Selective Nitrite Reduction at Heterobimetallic CoMg Complexes","Journal of the American Chemical Society","2013","135","","12023","12031","10.1021/ja4053653","","","0.71073","MoKα","","0.0763","0.0514","","","0.1271","0.1427","","","","","","1.049","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120272","8.515","0.0002","13.6712","0.0004","12.9404","0.0004","90","","94.875","0.001","90","","1500.95","0.07","100","2","100","2","","","","","","","","9","P 1 c 1","P -2yc","7","","[(mu-NO2)(Br)Co(Medoen)Mg(Me3TACN)]PF6","","- C19 H37 Br Co F6 Mg N8 O4 P -","- C19 H37 Br0.8717 Co F6 Mg N8.1283 O4.2566 P -","- C38 H74 Br1.7434 Co2 F12 Mg2 N16.2566 O8.5132 P2 -","2","1","","Christopher Uyeda; Jonas C. Peters","Selective Nitrite Reduction at Heterobimetallic CoMg Complexes","Journal of the American Chemical Society","2013","135","","12023","12031","10.1021/ja4053653","","","0.71073","MoKα","","0.0356","0.0275","","","0.0762","0.0842","","","","","","0.607","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120273","31.695","0.003","11.5842","0.0012","30.376","0.004","90","","120.603","0.004","90","","9599.5","1.9","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","[(NO)(Cl)Co(Medoen)Mg(Me3TACN)(H2O)]BPh4","","- C47 H67 B Cl Co Mg N8 O5 -","- C47 H66.064 B Cl Co Mg N8 O5 -","- C376 H528.512 B8 Cl8 Co8 Mg8 N64 O40 -","8","1","","Christopher Uyeda; Jonas C. Peters","Selective Nitrite Reduction at Heterobimetallic CoMg Complexes","Journal of the American Chemical Society","2013","135","","12023","12031","10.1021/ja4053653","","","0.71073","MoKα","","0.0988","0.0521","","","0.1177","0.1377","","","","","","1.017","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120274","14.2031","0.0006","14.4679","0.0007","15.6818","0.0007","70.548","0.002","68.324","0.002","63.304","0.002","2620.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(mu-OAc)Co(Medoen)Mg]BPh4","","- C53 H76 B Co Mg N7 O6 -","- C53 H75.64 B Co Mg N7 O6 -","- C106 H151.28 B2 Co2 Mg2 N14 O12 -","2","1","","Christopher Uyeda; Jonas C. Peters","Selective Nitrite Reduction at Heterobimetallic CoMg Complexes","Journal of the American Chemical Society","2013","135","","12023","12031","10.1021/ja4053653","","","0.71073","MoKα","","0.1566","0.0692","","","0.1651","0.2028","","","","","","1.028","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120275","18.4201","0.0007","14.1598","0.0006","27.2989","0.0011","90","","94.276","0.002","90","","7100.4","0.5","100","2","100.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(Ph,Bn-P2N2)Mn(Br)(CO)(bppm)","","- C73 H54 Br F25.5 Mn N2 O P4 -","- C73 H54 Br F25.4997 Mn N2 O P4 -","- C292 H216 Br4 F101.999 Mn4 N8 O4 P16 -","4","1","","Elliott B. Hulley; Kevin D. Welch; Aaron M. Appel; Daniel L. DuBois; R. Morris Bullock","Rapid, Reversible Heterolytic Cleavage of Bound H2","Journal of the American Chemical Society","2013","135","","11736","11739","10.1021/ja405755j","","","0.71073","MoKα","","0.057","0.0372","","","0.0835","0.092","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120276","12.5879","0.0005","18.8382","0.0007","22.7836","0.0009","106.131","0.002","93.897","0.002","92.643","0.002","5166.1","0.4","200","","200","","","","","","","","","9","P -1","-P 1","2","","[(P2N2)Mn(CO)(bppm)][BarF]","","- C97 H60 B Cl2 F48 Mn N2 O P4 -","- C97 H60 B Cl2 F48 Mn N2 O P4 -","- C194 H120 B2 Cl4 F96 Mn2 N4 O2 P8 -","2","1","","Elliott B. Hulley; Kevin D. Welch; Aaron M. Appel; Daniel L. DuBois; R. Morris Bullock","Rapid, Reversible Heterolytic Cleavage of Bound H2","Journal of the American Chemical Society","2013","135","","11736","11739","10.1021/ja405755j","","x-ray","0.71073","MoKα","K-L~3~","0.0882","0.0597","","","0.1547","0.175","","","","","","1.027","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120277","16.3703","0.0004","15.5253","0.0004","41.776","0.001","90","","100.801","0.001","90","","10429.4","0.4","150","1","150","1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","endo-(P2N2H)MnH(CO)(bppm)[BArF]","","- C98.15 H63.96 B Cl4.34 F48 Mn N2 O P4 -","- C98.1539 H63.9638 B Cl4.345 F48 Mn N2 O P4 -","- C392.616 H255.855 B4 Cl17.38 F192 Mn4 N8 O4 P16 -","4","1","","Elliott B. Hulley; Kevin D. Welch; Aaron M. Appel; Daniel L. DuBois; R. Morris Bullock","Rapid, Reversible Heterolytic Cleavage of Bound H2","Journal of the American Chemical Society","2013","135","","11736","11739","10.1021/ja405755j","","x-ray","0.71073","MoKα","K-L~3~","0.096","0.0743","","","0.1764","0.1866","","","","","","1.108","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120278","24.1332","0.0009","13.5042","0.0006","20.4034","0.0009","90","","96.462","0.004","90","","6607.2","0.5","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C48 H108 O16 Si4 U -","- C48 H108 O16 Si4 U -","- C192 H432 O64 Si16 U4 -","4","0.5","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.0602","0.0459","","","0.1007","0.107","","","","","","1.098","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120279","24.5649","0.0008","13.263","0.0003","25.9619","0.0008","90","","118.606","0.004","90","","7426","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H118 N2 O16 Si4 U -","- C58 H118 N2 O16 Si4 U -","- C232 H472 N8 O64 Si16 U4 -","4","0.5","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.0274","0.0234","","","0.0529","0.0542","","","","","","1.049","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120280","18.2032","0.0012","25.9028","0.0011","36.9447","0.0018","90","","90","","90","","17419.9","1.6","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C67 H140 K O22 Si4 U -","- C67 H140 K O22 Si4 U -","- C536 H1120 K8 O176 Si32 U8 -","8","1","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.1853","0.0729","","","0.1034","0.1384","","","","","","0.98","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120281","15.56","0.0007","28.0501","0.0011","25.1711","0.0011","90","","97.154","0.005","90","","10900.6","0.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H168 N4 O16 Si4 U2 -","- C88 H168 N4 O16 Si4 U2 -","- C352 H672 N16 O64 Si16 U8 -","4","1","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.1939","0.0822","","","0.1722","0.2252","","","","","","0.983","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120282","14.4543","0.0008","14.5344","0.0008","25.4464","0.0012","94.358","0.004","91.81","0.004","118.909","0.005","4651.9","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C71.5 H150.5 K N O22 Si4 U -","- C71.5 H150.5 K N O22 Si4 U -","- C143 H301 K2 N2 O44 Si8 U2 -","2","1","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.1476","0.0785","","","0.11","0.1325","","","","","","0.986","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120283","14.047","0.0008","14.047","0.0008","43.104","0.003","90","","90","","120","","7365.7","0.8","150","2","150","2","","","","","","","","7","P 32","P 32","145","","","","- C77 H157 K N O22 Si5 U -","- C77 H157 K N O22 Si5 U -","- C231 H471 K3 N3 O66 Si15 U3 -","3","1","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.0989","0.064","","","0.1083","0.1232","","","","","","1.022","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120284","13.7947","0.0003","26.1912","0.0007","25.0278","0.0005","90","","93.479","0.002","90","","9025.9","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H139 K N4 O18 Si5 U -","- C68 H139 K N4 O18 Si5 U -","- C272 H556 K4 N16 O72 Si20 U4 -","4","1","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.0765","0.0449","","","0.0941","0.1074","","","","","","1.052","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120285","14.0305","0.0005","24.7215","0.0007","26.3108","0.0009","90","","98.009","0.003","90","","9037","0.5","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C67 H140 K N3 O22 Si4 U -","- C67 H140 K N3 O22 Si4 U -","- C268 H560 K4 N12 O88 Si16 U4 -","4","1","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.075","0.058","","","0.12","0.1287","","","","","","1.07","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120286","15.3369","0.0005","17.9607","0.0007","19.2055","0.0006","78.456","0.003","84.822","0.003","86.879","0.003","5158.6","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H162 Cs N O24 Si6 U2 -","- C72 H162 Cs N O24 Si6 U2 -","- C144 H324 Cs2 N2 O48 Si12 U4 -","2","1","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.0933","0.0456","","","0.0912","0.1145","","","","","","0.929","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120287","13.3139","0.0004","13.6374","0.0004","18.3661","0.0007","90.824","0.003","106.789","0.003","115.962","0.003","2831.68","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H178 K2 N2 O24 Si6 U2 -","- C86 H178 K2 N2 O24 Si6 U2 -","- C86 H178 K2 N2 O24 Si6 U2 -","1","0.5","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.0977","0.0739","","","0.1549","0.1679","","","","","","1.137","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120288","6.1707","0.0006","8.7929","0.0008","30.591","0.003","90","","90","","90","","1659.8","0.3","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Br N O -","- C21 H16 Br N O -","- C84 H64 Br4 N4 O4 -","4","1","","Kodai Saito; Yukihiro Shibata; Masahiro Yamanaka; Takahiko Akiyama","Chiral Phosphoric Acid-Catalyzed Oxidative Kinetic Resolution of Indolines Based on Transfer Hydrogenation to Imines","Journal of the American Chemical Society","2013","135","","11740","11743","10.1021/ja406004q","","","0.71073","MoKα","","0.0228","0.0208","","","0.049","0.0507","","","","","","1.059","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120289","8.8754","0.0009","11.0905","0.0011","33.563","0.003","90","","90","","90","","3303.7","0.6","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br N O2 S -","- C17 H15 Br N O2 S -","- C136 H120 Br8 N8 O16 S8 -","8","2","","Kodai Saito; Yukihiro Shibata; Masahiro Yamanaka; Takahiko Akiyama","Chiral Phosphoric Acid-Catalyzed Oxidative Kinetic Resolution of Indolines Based on Transfer Hydrogenation to Imines","Journal of the American Chemical Society","2013","135","","11740","11743","10.1021/ja406004q","","","0.71073","MoKα","","0.0403","0.0293","","","0.0624","0.0651","","","","","","1.009","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120290","8.539","0.003","9.408","0.003","17.039","0.005","90","","90","","90","","1368.8","0.8","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Br N O -","- C16 H14 Br N O -","- C64 H56 Br4 N4 O4 -","4","1","","Kodai Saito; Yukihiro Shibata; Masahiro Yamanaka; Takahiko Akiyama","Chiral Phosphoric Acid-Catalyzed Oxidative Kinetic Resolution of Indolines Based on Transfer Hydrogenation to Imines","Journal of the American Chemical Society","2013","135","","11740","11743","10.1021/ja406004q","","","0.71073","MoKα","","0.0528","0.0435","","","0.0979","0.101","","","","","","0.955","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120291","9.9478","0.0019","18.536","0.004","19.126","0.004","90","","104.413","0.003","90","","3415.7","1.2","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H18 Br N O2 S -","- C18 H18 Br N O2 S -","- C144 H144 Br8 N8 O16 S8 -","8","4","","Kodai Saito; Yukihiro Shibata; Masahiro Yamanaka; Takahiko Akiyama","Chiral Phosphoric Acid-Catalyzed Oxidative Kinetic Resolution of Indolines Based on Transfer Hydrogenation to Imines","Journal of the American Chemical Society","2013","135","","11740","11743","10.1021/ja406004q","","","0.71073","MoKα","","0.0943","0.0564","","","0.1077","0.1228","","","","","","0.976","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120292","39.136","0.008","39.136","0.008","26.968","0.006","90","","90","","120","","35771","13","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C66 H66 N35 O17 -","- C65.991 H63.992 N34.9985 O17 -","- C1187.84 H1151.86 N629.973 O306 -","18","2","","Jesús del Barrio; Peter N. Horton; Didier Lairez; Gareth O. Lloyd; Chris Toprakcioglu; Oren A. Scherman","Photocontrol over Cucurbit[8]uril Complexes: Stoichiometry and Supramolecular Polymers","Journal of the American Chemical Society","2013","135","","11760","11763","10.1021/ja406556h","","","1.54178","CuKα","","0.1104","0.0925","","","0.2643","0.2904","","","","","","1.101","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120293","12.9176","0.0009","26.8483","0.0019","25.9955","0.0018","90","","90","","90","","9015.6","1.1","30","2","30","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C72 H81 Cl0.5 I1.5 N36 O21.5 -","- C72 H70 Cl0.5 I1.5 N36 O21.5 -","- C288 H280 Cl2 I6 N144 O86 -","4","1","","Jesús del Barrio; Peter N. Horton; Didier Lairez; Gareth O. Lloyd; Chris Toprakcioglu; Oren A. Scherman","Photocontrol over Cucurbit[8]uril Complexes: Stoichiometry and Supramolecular Polymers","Journal of the American Chemical Society","2013","135","","11760","11763","10.1021/ja406556h","","","0.6889","","","0.1527","0.103","","","0.2845","0.3268","","","","","","1.164","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120294","9.7378","0.0012","10.5173","0.0013","14.3679","0.0017","90","","90","","90","","1471.5","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","FOXCl2","","","- C2 H2 Cl2 N4 O4 -","- C2 H2 Cl2 N4 O4 -","- C16 H16 Cl16 N32 O32 -","8","1","","Thao T. Vo; Jiaheng Zhang; Damon A. Parrish; Brendan Twamley; Jean'ne M. Shreeve","New Roles for 1,1-Diamino-2,2-dinitroethene (FOX-7): Halogenated FOX-7 and Azo-bis(diahaloFOX) as Energetic Materials and Oxidizers","Journal of the American Chemical Society","2013","135","","11787","11790","10.1021/ja406629g","","","0.71073","MoKα","","0.0805","0.0386","","","0.0675","0.0825","","","","","","1.006","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120295","7.8266","0.001","7.0676","0.0009","12.7622","0.0016","90","","101.392","0.002","90","","692.04","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","FOXCl4","","","- C4 Cl4 N8 O8 -","- C4 Cl4 N8 O8 -","- C8 Cl8 N16 O16 -","2","0.5","","Thao T. Vo; Jiaheng Zhang; Damon A. Parrish; Brendan Twamley; Jean'ne M. Shreeve","New Roles for 1,1-Diamino-2,2-dinitroethene (FOX-7): Halogenated FOX-7 and Azo-bis(diahaloFOX) as Energetic Materials and Oxidizers","Journal of the American Chemical Society","2013","135","","11787","11790","10.1021/ja406629g","","","0.71073","MoKα","","0.0253","0.0228","","","0.0622","0.0633","","","","","","1.033","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120296","10.1648","0.001","10.6545","0.001","14.6781","0.0013","90","","90","","90","","1589.7","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-dibromo-2,2-dinitroacetimidamide","","- C2 H2 Br2 N4 O4 -","- C2 H2 Br2 N4 O4 -","- C16 H16 Br16 N32 O32 -","8","1","","Thao T. Vo; Jiaheng Zhang; Damon A. Parrish; Brendan Twamley; Jean'ne M. Shreeve","New Roles for 1,1-Diamino-2,2-dinitroethene (FOX-7): Halogenated FOX-7 and Azo-bis(diahaloFOX) as Energetic Materials and Oxidizers","Journal of the American Chemical Society","2013","135","","11787","11790","10.1021/ja406629g","","","0.71073","MoKα","","0.0622","0.0534","","","0.1085","0.1126","","","","","","1.031","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120297","7.9255","0.0008","7.1177","0.0007","12.8665","0.0012","90","","102.113","0.001","90","","709.66","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","FOXBr2Cl2","","","- C4 Br2 Cl2 N8 O8 -","- C4 Br2 Cl2 N8 O8 -","- C8 Br4 Cl4 N16 O16 -","2","0.5","","Thao T. Vo; Jiaheng Zhang; Damon A. Parrish; Brendan Twamley; Jean'ne M. Shreeve","New Roles for 1,1-Diamino-2,2-dinitroethene (FOX-7): Halogenated FOX-7 and Azo-bis(diahaloFOX) as Energetic Materials and Oxidizers","Journal of the American Chemical Society","2013","135","","11787","11790","10.1021/ja406629g","","","0.71073","MoKα","","0.042","0.0389","","","0.1182","0.1211","","","","","","1.073","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120298","7.98","0.0007","7.1271","0.0007","12.9548","0.0012","90","","102.706","0.001","90","","718.75","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","FOX-Br2Cl2","","","- C4 Br2.4 Cl1.6 N8 O8 -","- C4 Br2.4 Cl1.6 N8 O8 -","- C8 Br4.8 Cl3.2 N16 O16 -","2","0.5","","Thao T. Vo; Jiaheng Zhang; Damon A. Parrish; Brendan Twamley; Jean'ne M. Shreeve","New Roles for 1,1-Diamino-2,2-dinitroethene (FOX-7): Halogenated FOX-7 and Azo-bis(diahaloFOX) as Energetic Materials and Oxidizers","Journal of the American Chemical Society","2013","135","","11787","11790","10.1021/ja406629g","","","0.71073","MoKα","","0.0305","0.0269","","","0.0704","0.0722","","","","","","1.115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120299","8.0235","0.0012","9.831","0.0015","10.1811","0.0015","90","","111.447","0.002","90","","747.47","0.19","149.5","","149.5","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H5 Cl N4 O4 -","- C3 H5 Cl N4 O4 -","- C12 H20 Cl4 N16 O16 -","4","1","","Thao T. Vo; Jiaheng Zhang; Damon A. Parrish; Brendan Twamley; Jean'ne M. Shreeve","New Roles for 1,1-Diamino-2,2-dinitroethene (FOX-7): Halogenated FOX-7 and Azo-bis(diahaloFOX) as Energetic Materials and Oxidizers","Journal of the American Chemical Society","2013","135","","11787","11790","10.1021/ja406629g","","","0.71073","MoKα","","0.0403","0.0341","","","0.0883","0.0922","","","","","","1.049","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120300","5.9328","0.0012","16.786","0.003","8.4872","0.0017","90","","100.468","0.002","90","","831.2","0.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(Z)-N',2-dichloro-N-methyl-2,2-dinitroacetimidamide","","- C3 H4 Cl2 N4 O4 -","- C3 H4 Cl2 N4 O4 -","- C12 H16 Cl8 N16 O16 -","4","1","","Thao T. Vo; Jiaheng Zhang; Damon A. Parrish; Brendan Twamley; Jean'ne M. Shreeve","New Roles for 1,1-Diamino-2,2-dinitroethene (FOX-7): Halogenated FOX-7 and Azo-bis(diahaloFOX) as Energetic Materials and Oxidizers","Journal of the American Chemical Society","2013","135","","11787","11790","10.1021/ja406629g","","","0.71073","MoKα","","0.0181","0.0178","","","0.0454","0.0457","","","","","","1.048","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120301","6.9167","0.0001","16.1463","0.0003","25.1508","0.0005","90","","90","","90","","2808.82","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 N2 O P -","- C32 H39 N2 O P -","- C128 H156 N8 O4 P4 -","4","1","","Pavel A. Donets; Nicolai Cramer","Diaminophosphine Oxide Ligand Enabled Asymmetric Nickel-Catalyzed Hydrocarbamoylations of Alkenes","Journal of the American Chemical Society","2013","135","","11772","11775","10.1021/ja406730t","","","1.54178","CuKα","","0.0467","0.0402","","","0.104","0.1107","","","","","","1.049","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120302","7.7009","0.00013","8.44732","0.0002","19.9183","0.0004","90","","90","","90","","1295.72","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Br N O -","- C11 H20 Br N O -","- C44 H80 Br4 N4 O4 -","4","1","","Pavel A. Donets; Nicolai Cramer","Diaminophosphine Oxide Ligand Enabled Asymmetric Nickel-Catalyzed Hydrocarbamoylations of Alkenes","Journal of the American Chemical Society","2013","135","","11772","11775","10.1021/ja406730t","","","1.54178","CuKα","","0.0201","0.0198","","","0.0542","0.0545","","","","","","1.032","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120303","11.0019","0.0002","13.3559","0.0003","17.3433","0.0003","90","","107.829","0.0012","90","","2426.04","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Ni O P2 -","- C25 H38 Ni O P2 -","- C100 H152 Ni4 O4 P8 -","4","1","","Dmitry V. Gutsulyak; Warren E. Piers; Javier Borau-Garcia; Masood Parvez","Activation of Water, Ammonia, and Other Small Molecules by PCcarbeneP Nickel Pincer Complexes","Journal of the American Chemical Society","2013","135","","11776","11779","10.1021/ja406742n","","","0.71073","MoKα","","0.0439","0.0362","","","0.086","0.0908","","","","","","1.109","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120304","11.1311","0.0002","13.7498","0.0003","17.3926","0.0004","90","","107.906","0.0012","90","","2533","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Br Ni P2 -","- C25 H37 Br Ni P2 -","- C100 H148 Br4 Ni4 P8 -","4","1","","Dmitry V. Gutsulyak; Warren E. Piers; Javier Borau-Garcia; Masood Parvez","Activation of Water, Ammonia, and Other Small Molecules by PCcarbeneP Nickel Pincer Complexes","Journal of the American Chemical Society","2013","135","","11776","11779","10.1021/ja406742n","","","0.71073","MoKα","","0.0487","0.0369","","","0.0828","0.0899","","","","","","1.069","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120305","12.1978","0.0004","18.9664","0.0005","16.8785","0.0005","90","","107.626","0.0013","90","","3721.49","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H51 Ni P3 -","- C43 H51 Ni P3 -","- C172 H204 Ni4 P12 -","4","1","","Dmitry V. Gutsulyak; Warren E. Piers; Javier Borau-Garcia; Masood Parvez","Activation of Water, Ammonia, and Other Small Molecules by PCcarbeneP Nickel Pincer Complexes","Journal of the American Chemical Society","2013","135","","11776","11779","10.1021/ja406742n","","","0.71073","MoKα","","0.1239","0.0855","","","0.1543","0.1716","","","","","","1.194","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120306","8.9707","0.0003","16.2272","0.0004","16.9636","0.0004","90","","99.409","0.0013","90","","2436.16","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Ni P2 -","- C25 H38 Ni P2 -","- C100 H152 Ni4 P8 -","4","1","","Dmitry V. Gutsulyak; Warren E. Piers; Javier Borau-Garcia; Masood Parvez","Activation of Water, Ammonia, and Other Small Molecules by PCcarbeneP Nickel Pincer Complexes","Journal of the American Chemical Society","2013","135","","11776","11779","10.1021/ja406742n","","","0.71073","MoKα","","0.0587","0.0469","","","0.0979","0.1055","","","","","","1.118","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120307","11.9265","0.0003","13.362","0.0003","16.6181","0.0004","81.9352","0.0012","73.8259","0.0013","87.8959","0.0013","2518.31","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H78 N2 Ni2 P4 -","- C50 H78 N2 Ni2 P4 -","- C100 H156 N4 Ni4 P8 -","2","1","","Dmitry V. Gutsulyak; Warren E. Piers; Javier Borau-Garcia; Masood Parvez","Activation of Water, Ammonia, and Other Small Molecules by PCcarbeneP Nickel Pincer Complexes","Journal of the American Chemical Society","2013","135","","11776","11779","10.1021/ja406742n","","","0.71073","MoKα","","0.0726","0.0527","","","0.1061","0.1181","","","","","","1.096","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120308","16.5666","0.0017","11.056","0.0011","26.027","0.003","90","","104.511","0.0015","90","","4615","0.8","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H77 Ir N2 P2 -","- C49 H77 Ir N2 P2 -","- C196 H308 Ir4 N8 P8 -","4","1","","Yung-Hung Chang; Yumiko Nakajima; Hiromasa Tanaka; Kazunari Yoshizawa; Fumiyuki Ozawa","Facile N-H Bond Cleavage of Ammonia by an Iridium Complex Bearing a Noninnocent PNP-Pincer Type Phosphaalkene Ligand","Journal of the American Chemical Society","2013","135","","11791","11794","10.1021/ja407163z","","","0.71075","MoKα","","0.0428","0.039","","","0.0888","0.0915","","","","","","1.034","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120309","12.8544","0.0019","19.329","0.003","23.798","0.004","90","","90","","90","","5912.9","1.6","173","2","173","2","","","","","","","","8","P b c 21","P 2c -2b","29","","","","- C55 H86 Cl Ir K N O6 P2 -","- C55 H86 Cl Ir K N O6 P2 -","- C220 H344 Cl4 Ir4 K4 N4 O24 P8 -","4","1","","Yung-Hung Chang; Yumiko Nakajima; Hiromasa Tanaka; Kazunari Yoshizawa; Fumiyuki Ozawa","Facile N-H Bond Cleavage of Ammonia by an Iridium Complex Bearing a Noninnocent PNP-Pincer Type Phosphaalkene Ligand","Journal of the American Chemical Society","2013","135","","11791","11794","10.1021/ja407163z","","","0.7107","MoKα","","0.0607","0.0533","","","0.1245","0.1297","","","","","","1.043","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120310","13.213","0.005","14.526","0.006","14.757","0.006","105.061","0.002","98.416","0.005","112.588","0.004","2427.1","1.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H76 Ir N O P2 -","- C50 H76 Ir N O P2 -","- C100 H152 Ir2 N2 O2 P4 -","2","1","","Yung-Hung Chang; Yumiko Nakajima; Hiromasa Tanaka; Kazunari Yoshizawa; Fumiyuki Ozawa","Facile N-H Bond Cleavage of Ammonia by an Iridium Complex Bearing a Noninnocent PNP-Pincer Type Phosphaalkene Ligand","Journal of the American Chemical Society","2013","135","","11791","11794","10.1021/ja407163z","","","0.7107","MoKα","","0.0915","0.0613","","","0.108","0.1251","","","","","","1.052","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120311","13.075","0.002","14.453","0.003","14.685","0.002","105.283","0.0017","97.614","0.0009","112.598","0.0017","2384.7","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H79 Ir N2 P2 -","- C49 H79 Ir N2 P2 -","- C98 H158 Ir2 N4 P4 -","2","1","","Yung-Hung Chang; Yumiko Nakajima; Hiromasa Tanaka; Kazunari Yoshizawa; Fumiyuki Ozawa","Facile N-H Bond Cleavage of Ammonia by an Iridium Complex Bearing a Noninnocent PNP-Pincer Type Phosphaalkene Ligand","Journal of the American Chemical Society","2013","135","","11791","11794","10.1021/ja407163z","","","0.71075","MoKα","","0.0446","0.039","","","0.0799","0.0837","","","","","","1.03","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120312","8.9208","0.0009","32.936","0.004","15.8013","0.0017","90","","105.59","0.0014","90","","4471.9","0.9","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H69 Ir N2 P2 -","- C49 H69 Ir N2 P2 -","- C196 H276 Ir4 N8 P8 -","4","1","","Yung-Hung Chang; Yumiko Nakajima; Hiromasa Tanaka; Kazunari Yoshizawa; Fumiyuki Ozawa","Facile N-H Bond Cleavage of Ammonia by an Iridium Complex Bearing a Noninnocent PNP-Pincer Type Phosphaalkene Ligand","Journal of the American Chemical Society","2013","135","","11791","11794","10.1021/ja407163z","","","0.71075","MoKα","","0.0837","0.0743","","","0.1662","0.1743","","","","","","1.071","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120313","12.7037","0.0005","19.5075","0.0006","13.6703","0.0006","90","","117.333","0.005","90","","3009.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H44 N2 P2 Si -","- C29 H44 N2 P2 Si -","- C116 H176 N8 P8 Si4 -","4","1","","Kerstin Hansen; Tibor Szilvási; Burgert Blom; Shigeyoshi Inoue; Jan Epping; Matthias Driess","A Fragile Zwitterionic Phosphasilene as a Transfer Agent of the Elusive Parent Phosphinidene (:PH)","Journal of the American Chemical Society","2013","135","","11795","11798","10.1021/ja4072699","","","0.71073","MoKα","","0.0662","0.0485","","","0.0997","0.1066","","","","","","1.069","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120314","12.5294","0.0004","19.3366","0.0006","13.5552","0.0005","90","","117.052","0.004","90","","2924.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 Cl N2 P Si -","- C29 H42 Cl N2 P Si -","- C116 H168 Cl4 N8 P4 Si4 -","4","1","","Kerstin Hansen; Tibor Szilvási; Burgert Blom; Shigeyoshi Inoue; Jan Epping; Matthias Driess","A Fragile Zwitterionic Phosphasilene as a Transfer Agent of the Elusive Parent Phosphinidene (:PH)","Journal of the American Chemical Society","2013","135","","11795","11798","10.1021/ja4072699","","","0.71073","MoKα","","0.0612","0.0476","","","0.1012","0.1067","","","","","","1.096","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120315","12.4126","0.0007","16.8635","0.0008","13.9815","0.0009","90","","104.624","0.007","90","","2831.8","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 N2 P Si -","- C29 H41 N2 P Si -","- C116 H164 N8 P4 Si4 -","4","1","","Kerstin Hansen; Tibor Szilvási; Burgert Blom; Shigeyoshi Inoue; Jan Epping; Matthias Driess","A Fragile Zwitterionic Phosphasilene as a Transfer Agent of the Elusive Parent Phosphinidene (:PH)","Journal of the American Chemical Society","2013","135","","11795","11798","10.1021/ja4072699","","","0.71073","MoKα","","0.0941","0.0627","","","0.1185","0.1314","","","","","","1.083","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120316","7.6315","0.0011","12.0996","0.0017","10.2473","0.0014","90","","97.95","0.002","90","","937.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Subash Chandra Sahoo; Manas K. Panda; Naba K. Nath; Panče Naumov","Biomimetic Crystalline Actuators: Structure-Kinematic Aspects of the Self-Actuation and Motility of Thermosalient Crystals","Journal of the American Chemical Society","2013","135","","12241","12251","10.1021/ja404192g","","","0.71073","MoKα","","0.0484","0.0409","","","0.1178","0.129","","","","","","1.071","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120317","29.1386","0.001","25.5863","0.0008","16.7148","0.0006","90","","92.259","0.002","90","","12452","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","30dfmj12","","","- C120 H136 N7 O27 Zn7 -","- C120 H130 N7 O27 Zn7 -","- C480 H520 N28 O108 Zn28 -","4","0.5","","Drew A. Fowler; Asanka S. Rathnayake; Stuart Kennedy; Harshita Kumari; Christine M. Beavers; Simon J. Teat; Jerry L. Atwood","Introducing Defects into Metal-Seamed Nanocapsules Using Mixed Macrocycles","Journal of the American Chemical Society","2013","135","","12184","12187","10.1021/ja404392m","","","0.7749","synchrotron","","0.1489","0.1294","","","0.4185","0.4372","","","","","","1.885","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120318","23.0569","0.0013","23.0569","0.0013","23.0569","0.0013","90","","90","","90","","12257.5","1.2","100","1","100","1","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C18 H30 Fe Li0.33 N2.33 O Si -","- C18 H30 Fe Li0.11 N2.33333 O Si -","- C432 H720 Fe24 Li2.64 N56 O24 Si24 -","24","1","","Tamara M. Powers; Theodore A. Betley","Testing the Polynuclear Hypothesis: Multielectron Reduction of Small Molecules by Triiron Reaction Sites","Journal of the American Chemical Society","2013","135","","12289","12296","10.1021/ja405057n","","","0.71073","MoKα","","0.0456","0.0304","","","0.0751","0.0806","","","","","","1.021","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120319","30.62","0.003","25.011","0.002","18.0387","0.0014","90","","109.703","0.002","90","","13005.9","1.9","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H85 Fe3 N7 Si3 -","- C54 H85 Fe3 N7 Si3 -","- C432 H680 Fe24 N56 Si24 -","8","1","","Tamara M. Powers; Theodore A. Betley","Testing the Polynuclear Hypothesis: Multielectron Reduction of Small Molecules by Triiron Reaction Sites","Journal of the American Chemical Society","2013","135","","12289","12296","10.1021/ja405057n","","","0.71073","MoKα","","0.13","0.0671","","","0.1937","0.2308","","","","","","1.044","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120320","15.2814","0.0014","21.682","0.002","22.529","0.002","96.398","0.002","108.873","0.002","100.447","0.002","6829.1","1.1","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C131 H205 Fe6 N16 Si6 -","- C131 H205 Fe6 N16 Si6 -","- C262 H410 Fe12 N32 Si12 -","2","1","","Tamara M. Powers; Theodore A. Betley","Testing the Polynuclear Hypothesis: Multielectron Reduction of Small Molecules by Triiron Reaction Sites","Journal of the American Chemical Society","2013","135","","12289","12296","10.1021/ja405057n","","","0.71073","MoKα","","0.1492","0.0643","","","0.1444","0.1784","","","","","","1.043","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120321","14.9916","0.0012","19.0344","0.0015","24.784","0.0019","90","","93.6714","0.0014","90","","7057.8","1","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H112 Br Fe3 N7 O Si3 -","- C62 H112 Br Fe3 N7 O Si3 -","- C248 H448 Br4 Fe12 N28 O4 Si12 -","4","1","","Tamara M. Powers; Theodore A. Betley","Testing the Polynuclear Hypothesis: Multielectron Reduction of Small Molecules by Triiron Reaction Sites","Journal of the American Chemical Society","2013","135","","12289","12296","10.1021/ja405057n","","","0.71073","MoKα","","0.1333","0.0717","","","0.1612","0.182","","","","","","1.047","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120322","14.6362","0.0001","10.4655","0.0001","28.9836","0.0002","90","","90","","90","","4439.57","0.06","293","","293","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Au16 Ba8 P30 -","- Au16 Ba8 P30 -","- Au64 Ba32 P120 -","4","0.5","","James Fulmer; Oleg I. Lebedev; Vladimir Roddatis; Derrick C. Kaseman; Sabyasachi Sen; Juli-Anna Dolyniuk; Kathleen Lee; Andrei V. Olenev; Kirill Kovnir","Clathrate Ba8Au16P30: The ""Gold Standard"" for Lattice Thermal Conductivity","Journal of the American Chemical Society","2013","135","","12313","12323","10.1021/ja4052679","powder diffraction","","0.41335","synchrotron","","","","","","","","","","","","","","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120323","11.735","0.003","7.9285","0.0018","12.782","0.003","90","","92.945","0.004","90","","1187.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 B10 F4 -","- C4 H12 B10 F4 -","- C16 H48 B40 F16 -","4","1","","Zaozao Qiu; Yangjian Quan; Zuowei Xie","Palladium-Catalyzed Selective Fluorination of o-Carboranes","Journal of the American Chemical Society","2013","135","","12192","12195","10.1021/ja405808t","","","0.71073","MoKα","","0.1202","0.0965","","","0.2955","0.3221","","","","","","1.14","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120324","7.4217","0.0017","14.077","0.003","12.067","0.003","90","","101.454","0.004","90","","1235.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H12 B10 F4 -","- C5 H12 B10 F4 -","- C20 H48 B40 F16 -","4","1","","Zaozao Qiu; Yangjian Quan; Zuowei Xie","Palladium-Catalyzed Selective Fluorination of o-Carboranes","Journal of the American Chemical Society","2013","135","","12192","12195","10.1021/ja405808t","","","0.71073","MoKα","","0.1047","0.0829","","","0.2389","0.2573","","","","","","1.061","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120325","21.924","0.004","7.5397","0.0013","9.2002","0.0013","90","","90","","90","","1520.8","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H14 B10 F4 -","- C10 H14 B10 F4 -","- C40 H56 B40 F16 -","4","1","","Zaozao Qiu; Yangjian Quan; Zuowei Xie","Palladium-Catalyzed Selective Fluorination of o-Carboranes","Journal of the American Chemical Society","2013","135","","12192","12195","10.1021/ja405808t","","","0.71073","MoKα","","0.077","0.0537","","","0.1266","0.142","","","","","","1.009","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120326","9.5043","0.0012","11.494","0.0014","18.438","0.002","90","","95.337","0.002","90","","2005.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 B10 F4 -","- C14 H26 B10 F4 -","- C56 H104 B40 F16 -","4","1","","Zaozao Qiu; Yangjian Quan; Zuowei Xie","Palladium-Catalyzed Selective Fluorination of o-Carboranes","Journal of the American Chemical Society","2013","135","","12192","12195","10.1021/ja405808t","","","0.71073","MoKα","","0.0708","0.0624","","","0.1653","0.1771","","","","","","1.049","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120327","7.1817","0.0016","8.6876","0.0018","24.463","0.005","90","","90","","90","","1526.3","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 B10 F4 -","- C10 H14 B10 F4 -","- C40 H56 B40 F16 -","4","1","","Zaozao Qiu; Yangjian Quan; Zuowei Xie","Palladium-Catalyzed Selective Fluorination of o-Carboranes","Journal of the American Chemical Society","2013","135","","12192","12195","10.1021/ja405808t","","","0.71073","MoKα","","0.1072","0.0578","","","0.1302","0.1575","","","","","","1.023","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120328","8.1749","0.0007","12.753","0.0009","13.7568","0.0011","110.6","0.001","102.586","0.002","98.737","0.001","1268.57","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H15 B10 F3 -","- C5 H15 B10 F3 -","- C20 H60 B40 F12 -","4","2","","Zaozao Qiu; Yangjian Quan; Zuowei Xie","Palladium-Catalyzed Selective Fluorination of o-Carboranes","Journal of the American Chemical Society","2013","135","","12192","12195","10.1021/ja405808t","","","0.71073","MoKα","","0.108","0.0903","","","0.2456","0.2709","","","","","","1.026","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120329","10.358","0.0008","10.9827","0.0008","12.1927","0.0009","90","","90","","90","","1387.03","0.18","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C6 H18 B10 F2 -","- C6 H18 B10 F2 -","- C24 H72 B40 F8 -","4","0.5","","Zaozao Qiu; Yangjian Quan; Zuowei Xie","Palladium-Catalyzed Selective Fluorination of o-Carboranes","Journal of the American Chemical Society","2013","135","","12192","12195","10.1021/ja405808t","","","0.71073","MoKα","","0.0636","0.0566","","","0.1505","0.1594","","","","","","1.099","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120330","10.255","0.0006","15.159","0.0011","24.5615","0.0014","90","","90","","90","","3818.2","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H18 Cl2 N2 O4 Si -","- C17 H18 Cl2 N2 O4 Si -","- C136 H144 Cl16 N16 O32 Si8 -","8","1","","Xingwei Guo; Herbert Mayr","Manifestation of Polar Reaction Pathways of 2,3-Dichloro-5,6-dicyano-p-benzoquinone","Journal of the American Chemical Society","2013","135","","12377","12387","10.1021/ja405890d","","","0.71073","MoKα","","0.0534","0.0365","","","0.0828","0.0935","","","","","","1.048","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120331","14.0747","0.0005","6.6201","0.0002","15.0699","0.0006","90","","93.3281","0.0018","90","","1401.78","0.09","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 N2 O3 -","- C14 H10 Cl2 N2 O3 -","- C56 H40 Cl8 N8 O12 -","4","1","","Xingwei Guo; Herbert Mayr","Manifestation of Polar Reaction Pathways of 2,3-Dichloro-5,6-dicyano-p-benzoquinone","Journal of the American Chemical Society","2013","135","","12377","12387","10.1021/ja405890d","","","0.71073","MoKα","","0.0692","0.0435","","","0.0983","0.11","","","","","","1.047","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120332","9.058","0.0006","9.7925","0.0007","10.033","0.0006","71.359","0.003","79.007","0.003","64.462","0.003","759.4","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H27 Li3 -","- C15 H27 Li3 -","- C30 H54 Li6 -","2","1","","Chicheung Su; Russell Hopson; Paul G. Williard","Characterization of Cyclopentyllithium and Cyclopentyllithium Tetrahydrofuran Complex","Journal of the American Chemical Society","2013","135","","12400","12406","10.1021/ja4059102","","","0.71073","MoKα","","0.0595","0.0523","","","0.1392","0.147","","","","","","1.038","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120333","18.8947","0.0007","18.8947","0.0007","10.2755","0.0004","90","","90","","90","","3668.5","0.2","173","2","173","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C9 H17 Li O -","- C9 H17 Li O -","- C144 H272 Li16 O16 -","16","","","Chicheung Su; Russell Hopson; Paul G. Williard","Characterization of Cyclopentyllithium and Cyclopentyllithium Tetrahydrofuran Complex","Journal of the American Chemical Society","2013","135","","12400","12406","10.1021/ja4059102","","","0.71073","MoKα","","0.0867","0.0802","","","0.236","0.2431","","","","","","1.074","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120334","6.5321","0.0003","8.0627","0.0003","12.6859","0.0005","73.519","0.002","84.233","0.002","77.446","0.002","624.81","0.05","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C10 H17 B7 Fe -","- C10 H17 B7 Fe -","- C20 H34 B14 Fe2 -","2","1","","Brendan Gleeson; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of Inorganic ansa-Metallocene Analogues: ansa-Ferratricarbadecaboranes","Journal of the American Chemical Society","2013","135","","12407","12413","10.1021/ja405977q","","","0.71073","MoKα","","0.0283","0.0236","","","0.0707","0.0827","","","","","","1.231","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120335","7.8737","0.0004","16.7333","0.001","12.7705","0.0006","90","","102.676","0.002","90","","1641.54","0.15","143","1","143","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 B14 Fe -","- C8 H22 B14 Fe -","- C32 H88 B56 Fe4 -","4","1","","Brendan Gleeson; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of Inorganic ansa-Metallocene Analogues: ansa-Ferratricarbadecaboranes","Journal of the American Chemical Society","2013","135","","12407","12413","10.1021/ja405977q","","","0.71073","MoKα","","0.0284","0.0255","","","0.0658","0.068","","","","","","1.067","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120336","8.8907","0.0008","21.898","0.002","8.669","0.0008","90","","108.393","0.004","90","","1601.5","0.3","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 B14 Fe -","- C8 H22 B14 Fe -","- C32 H88 B56 Fe4 -","4","1","","Brendan Gleeson; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of Inorganic ansa-Metallocene Analogues: ansa-Ferratricarbadecaboranes","Journal of the American Chemical Society","2013","135","","12407","12413","10.1021/ja405977q","","","0.71073","MoKα","","0.028","0.027","","","0.072","0.0728","","","","","","1.102","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120337","8.0019","0.0006","8.8512","0.0007","12.1961","0.001","99.761","0.003","96.347","0.004","105.058","0.003","811.15","0.11","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H22 B14 Fe -","- C8 H22 B14 Fe -","- C16 H44 B28 Fe2 -","2","1","","Brendan Gleeson; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of Inorganic ansa-Metallocene Analogues: ansa-Ferratricarbadecaboranes","Journal of the American Chemical Society","2013","135","","12407","12413","10.1021/ja405977q","","","0.71073","MoKα","","0.0328","0.0301","","","0.0829","0.0854","","","","","","1.228","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120338","10.794","0.002","11.871","0.002","14.7","0.003","79.745","0.002","86.649","0.002","78.006","0.002","1812.6","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H64 N2 O -","- C40 H64 N2 O -","- C80 H128 N4 O2 -","2","1","","Yan Li; Kartik Chandra Mondal; Herbert W. Roesky; Hongping Zhu; Peter Stollberg; Regine Herbst-Irmer; Dietmar Stalke; Diego M. Andrada","Acyclic Germylones: Congeners of Allenes with a Central Germanium Atom","Journal of the American Chemical Society","2013","135","","12422","12428","10.1021/ja406112u","","","0.71073","MoKα","","0.0604","0.0453","","","0.1075","0.1137","","","","","","1.046","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120339","9.586","0.002","17.633","0.002","12.719","0.003","90","","101.871","0.001","90","","2103.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Cl2 Ge N -","- C20 H31 Cl2 Ge N -","- C80 H124 Cl8 Ge4 N4 -","4","1","","Yan Li; Kartik Chandra Mondal; Herbert W. Roesky; Hongping Zhu; Peter Stollberg; Regine Herbst-Irmer; Dietmar Stalke; Diego M. Andrada","Acyclic Germylones: Congeners of Allenes with a Central Germanium Atom","Journal of the American Chemical Society","2013","135","","12422","12428","10.1021/ja406112u","","","0.71073","MoKα","","0.0294","0.0264","","","0.07","0.0713","","","","","","1.089","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120340","14.934","0.002","14.779","0.002","19.118","0.003","90","","90","","90","","4219.5","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H31 Cl2 Ge N -","- C20 H31 Cl2 Ge N -","- C160 H248 Cl16 Ge8 N8 -","8","1","","Yan Li; Kartik Chandra Mondal; Herbert W. Roesky; Hongping Zhu; Peter Stollberg; Regine Herbst-Irmer; Dietmar Stalke; Diego M. Andrada","Acyclic Germylones: Congeners of Allenes with a Central Germanium Atom","Journal of the American Chemical Society","2013","135","","12422","12428","10.1021/ja406112u","","","0.71073","MoKα","","0.0441","0.0381","","","0.0949","0.0977","","","","","","1.08","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120341","9.29","0.002","12.091","0.002","19.902","0.003","94.809","0.004","98.576","0.004","97.669","0.004","2178.4","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H77 Ge N2 -","- C49 H77 Ge N2 -","- C98 H154 Ge2 N4 -","2","1","","Yan Li; Kartik Chandra Mondal; Herbert W. Roesky; Hongping Zhu; Peter Stollberg; Regine Herbst-Irmer; Dietmar Stalke; Diego M. Andrada","Acyclic Germylones: Congeners of Allenes with a Central Germanium Atom","Journal of the American Chemical Society","2013","135","","12422","12428","10.1021/ja406112u","","","0.56086","AgKα","","0.0483","0.0391","","","0.0936","0.0971","","","","","","1.064","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120342","9.161","0.002","19.325","0.003","24.76","0.003","112.3","0.03","98.13","0.02","91.48","0.02","3999.7","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H69 Ge N2 -","- C43 H69 Ge N2 -","- C172 H276 Ge4 N8 -","4","2","","Yan Li; Kartik Chandra Mondal; Herbert W. Roesky; Hongping Zhu; Peter Stollberg; Regine Herbst-Irmer; Dietmar Stalke; Diego M. Andrada","Acyclic Germylones: Congeners of Allenes with a Central Germanium Atom","Journal of the American Chemical Society","2013","135","","12422","12428","10.1021/ja406112u","","","0.71073","MoKα","","0.0384","0.0293","","","0.0713","0.0755","","","","","","1.025","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120343","14.036","0.002","9.7315","0.0016","44.837","0.008","90","","96.093","0.002","90","","6089.7","1.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","[KB-1]","","","- C36.75 H29.25 Cl2.25 N2 O3 -","- C36.75 H29.25 Cl2.25 N2 O3 -","- C294 H234 Cl18 N16 O24 -","8","4","","Keith W. Bentley; Christian Wolf","Stereodynamic Chemosensor with Selective Circular Dichroism and Fluorescence Readout for in Situ Determination of Absolute Configuration, Enantiomeric Excess, and Concentration of Chiral Compounds","Journal of the American Chemical Society","2013","135","","12200","12203","10.1021/ja406259p","","","0.71073","MoKα","","0.1388","0.0941","","","0.2204","0.244","","","","","","1.039","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120344","13.0538","0.0014","6.3146","0.0007","32.59","0.003","90","","92.8103","0.0014","90","","2683.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H31 N3 O3 Si -","- C29 H31 N3 O3 Si -","- C116 H124 N12 O12 Si4 -","4","2","","Xichen Xu; Peter Y. Zavalij; Michael P. Doyle","Catalytic Asymmetric Syntheses of Quinolizidines by Dirhodium-Catalyzed Dearomatization of Isoquinolinium/Pyridinium Methylides-The Role of Catalyst and Carbene Source","Journal of the American Chemical Society","2013","135","","12439","12447","10.1021/ja406482q","","","0.71073","MoKα","","0.0542","0.0493","","","0.1019","0.1045","","","","","","1","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120345","8.2912","0.0007","12.8974","0.001","9.5837","0.0008","90","","104.137","0.001","90","","993.79","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C48 H38 N6 O4 -","2","1","","Xichen Xu; Peter Y. Zavalij; Michael P. Doyle","Catalytic Asymmetric Syntheses of Quinolizidines by Dirhodium-Catalyzed Dearomatization of Isoquinolinium/Pyridinium Methylides-The Role of Catalyst and Carbene Source","Journal of the American Chemical Society","2013","135","","12439","12447","10.1021/ja406482q","","","0.71073","MoKα","","0.0392","0.0355","","","0.0677","0.0697","","","","","","1","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120346","20.4129","0.0003","13.095","0.0002","24.6162","0.0003","90","","110.069","0.002","90","","6180.54","0.17","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H62 B F24 Ir N P -","- C63 H62 B F24 Ir N P -","- C252 H248 B4 F96 Ir4 N4 P4 -","4","1","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","0.71073","MoKα","","0.0328","0.0248","","","0.0527","0.0559","","","","","","1.056","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4120347","11.6445","0.0006","12.5417","0.0005","16.0885","0.0006","81.879","0.003","88.741","0.003","79.475","0.004","2286.88","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H43 B F15 Ir N2 O -","- C51 H43 B F15 Ir N2 O -","- C102 H86 B2 F30 Ir2 N4 O2 -","2","1","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","1.54184","CuKα","","0.0281","0.0281","","","0.0732","0.0732","","","","","","1.124","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120348","11.2463","0.0004","23.0795","0.0006","25.3189","0.0006","64.391","0.002","88.146","0.002","78.446","0.002","5795.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C65.5 H63 B F15 Ir N2 O0.5 -","- C63.5 H59 B F15 Ir N2 -","- C254 H236 B4 F60 Ir4 N8 -","4","2","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","1.54184","CuKα","","0.0341","0.0322","","","0.0793","0.0808","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120349","13.4101","0.0005","14.6938","0.0005","15.1398","0.0005","91.458","0.003","92.312","0.003","94.715","0.003","2969.47","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H57 B Cl3 F18 Ir N2 -","- C60 H57 B Cl3 F18 Ir N2 -","- C120 H114 B2 Cl6 F36 Ir2 N4 -","2","1","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","1.54184","CuKα","","0.0229","0.0223","","","0.0556","0.056","","","","","","1.023","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4120350","10.1453","0.0002","23.422","0.0004","21.0908","0.0003","90","","91.3572","0.001","90","","5010.26","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59.5 H72 B Ir N2 -","- C59.5 H72 B Ir N2 -","- C238 H288 B4 Ir4 N8 -","4","1","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","0.71073","MoKα","","0.0559","0.0381","","","0.0811","0.0869","","","","","","1.07","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120351","12.6075","0.0006","12.917","0.0006","15.9241","0.0008","82.28","0.004","84.241","0.004","84.873","0.004","2549.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H51 B F15 Li N2 O4 -","- C51 H47 B F15 Li N2 O3 -","- C102 H94 B2 F30 Li2 N4 O6 -","2","1","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","1.54184","CuKα","","0.0358","0.0338","","","0.0879","0.0893","","","","","","1.034","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120352","10.8689","0.0004","12.4084","0.0004","18.0129","0.0006","99.057","0.004","91.694","0.002","104.848","0.004","2312.7","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H44 B F15 N2 -","- C52 H44 B F15 N2 -","- C104 H88 B2 F30 N4 -","2","1","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","1.54184","CuKα","","0.0389","0.0361","","","0.0959","0.0985","","","","","","1.049","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120353","10.2681","0.0005","12.6386","0.0008","21.6789","0.001","74.112","0.005","88.624","0.004","81.879","0.005","2678.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H80 B Li N2 O3 -","- C60 H80 B Li N2 O3 -","- C120 H160 B2 Li2 N4 O6 -","2","1","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","1.54184","CuKα","","0.0526","0.049","","","0.1306","0.1338","","","","","","1.045","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120354","17.0725","0.0002","18.4346","0.0002","18.8946","0.0002","90","","107.405","0.002","90","","5674.33","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H53 B Cl6 F15 N2 Rh -","- C53 H47 B F15 N2 Rh -","- C212 H188 B4 F60 N8 Rh4 -","4","1","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","1.54184","CuKα","","0.0374","0.0355","","","0.0978","0.0989","","","","","","1.097","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120355","11.7736","0.0004","11.9723","0.0004","17.8593","0.0006","73.048","0.004","77.719","0.004","70.396","0.004","2249.92","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C47.5 H36 B Cl F15 N2 O2 Rh -","- C47.5 H36 B Cl F15 N2 O2 Rh -","- C95 H72 B2 Cl2 F30 N4 O4 Rh2 -","2","1","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","0.71073","MoKα","","0.0349","0.0276","","","0.0587","0.0617","","","","","","1.041","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120356","10.7273","0.0003","21.919","0.0005","25.9304","0.0006","88.192","0.003","81.336","0.003","78.973","0.003","5916.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H55 B F15 Ir N2 -","- C51 H42 B F15 Ir N2 -","- C204 H168 B4 F60 Ir4 N8 -","4","2","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","1.54184","CuKα","","0.0339","0.0325","","","0.077","0.0778","","","","","","1.035","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120357","25.0605","0.0014","38.2428","0.0012","10.73","0.0004","90","","90","","90","","10283.5","0.8","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C105 H102 B2 F30 Ir2 N4 O5 -","- C90 H70 B2 F30 Ir2 N4 -","- C360 H280 B8 F120 Ir8 N16 -","4","1","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","1.54184","CuKα","","0.06","0.0527","","","0.1226","0.1265","","","","","","1.024","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4120358","11.707","0.0013","38.76","0.005","12.0119","0.0014","90","","102.729","0.001","90","","5316.6","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 F18 Mn Na O7 -","- C18 H9 F18 Mn Na O7 -","- C144 H72 F144 Mn8 Na8 O56 -","8","2","","Zheng Wei; Alexander S. Filatov; Evgeny V. Dikarev","Volatile Heterometallic Precursors for the Low-Temperature Synthesis of Prospective Sodium Ion Battery Cathode Materials","Journal of the American Chemical Society","2013","135","","12216","12219","10.1021/ja4069529","","","0.71073","Mo-Kα","","0.076","0.0471","","","0.1035","0.1139","","","","","","1.028","","","","has coordinates,has disorder","286259","2023-09-07","06:04:45",""
"4120359","18.045","0.002","18.045","0.002","12.6335","0.0014","90","","90","","120","","3562.6","0.7","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C15 H3 F18 Mn Na O6 -","- C15 H3 F18 Mn Na O6 -","- C90 H18 F108 Mn6 Na6 O36 -","6","0.5","","Zheng Wei; Alexander S. Filatov; Evgeny V. Dikarev","Volatile Heterometallic Precursors for the Low-Temperature Synthesis of Prospective Sodium Ion Battery Cathode Materials","Journal of the American Chemical Society","2013","135","","12216","12219","10.1021/ja4069529","","","0.71073","Mo-Kα","","0.0788","0.0516","","","0.1066","0.1187","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120360","18.0016","0.0004","18.0016","0.0004","12.3451","0.0003","90","","90","","120","","3464.55","0.14","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C15 H3 F18 Fe Na O6 -","- C15 H3 F18 Fe Na O6 -","- C90 H18 F108 Fe6 Na6 O36 -","6","0.5","","Zheng Wei; Alexander S. Filatov; Evgeny V. Dikarev","Volatile Heterometallic Precursors for the Low-Temperature Synthesis of Prospective Sodium Ion Battery Cathode Materials","Journal of the American Chemical Society","2013","135","","12216","12219","10.1021/ja4069529","","","1.54178","CuKα","","0.0741","0.0501","","","0.0771","0.0852","","","","","","1.099","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120361","17.958","0.005","17.958","0.005","12.531","0.003","90","","90","","120","","3499.7","1.6","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C15 H3 Co F18 Na O6 -","- C15 H3 Co F18 Na O6 -","- C90 H18 Co6 F108 Na6 O36 -","6","0.5","","Zheng Wei; Alexander S. Filatov; Evgeny V. Dikarev","Volatile Heterometallic Precursors for the Low-Temperature Synthesis of Prospective Sodium Ion Battery Cathode Materials","Journal of the American Chemical Society","2013","135","","12216","12219","10.1021/ja4069529","","","0.71073","Mo-Kα","","0.1008","0.0565","","","0.1292","0.1537","","","","","","1.032","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120362","17.884","0.004","17.884","0.004","12.391","0.003","90","","90","","120","","3432.2","1.4","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C15 H3 F18 Na Ni O6 -","- C15 H3 F18 Na Ni O6 -","- C90 H18 F108 Na6 Ni6 O36 -","6","0.5","","Zheng Wei; Alexander S. Filatov; Evgeny V. Dikarev","Volatile Heterometallic Precursors for the Low-Temperature Synthesis of Prospective Sodium Ion Battery Cathode Materials","Journal of the American Chemical Society","2013","135","","12216","12219","10.1021/ja4069529","","","0.71073","Mo-Kα","","0.1335","0.106","","","0.222","0.2334","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120363","11.823","0.004","12.025","0.004","19.053","0.006","75.447","0.004","72.426","0.003","75.84","0.003","2457.4","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H12 F36 Mn2 Na2 O13 -","- C33 H12 F36 Mn2 Na2 O13 -","- C66 H24 F72 Mn4 Na4 O26 -","2","1","","Zheng Wei; Alexander S. Filatov; Evgeny V. Dikarev","Volatile Heterometallic Precursors for the Low-Temperature Synthesis of Prospective Sodium Ion Battery Cathode Materials","Journal of the American Chemical Society","2013","135","","12216","12219","10.1021/ja4069529","","","0.71073","Mo-Kα","","0.1206","0.0867","","","0.2068","0.227","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120364","47.453","0.01","48.537","0.01","38.13","0.008","90","","127.68","0.03","90","","69506","4","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","M12L24 sphere 2a from ligand 1a and Pd2+","","","- C456 H264 B20 F54 N72 O12.4 Pd12 -","- C456 H264 B20 F54 N72 O12.4 Pd12 -","- C912 H528 B40 F108 N144 O24.8 Pd24 -","2","0.25","","Kate Harris; Qing-Fu Sun; Sota Sato; Makoto Fujita","M12L24 Spheres with Endo and Exo Coordination Sites: Scaffolds for Non-Covalent Functionalization","Journal of the American Chemical Society","2013","135","","12497","12499","10.1021/ja4043609","","","1","synchrotron","","0.2366","0.2149","","","0.5329","0.5562","","","","","","2.561","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120365","61.994","0.012","61.977","0.012","61.977","0.012","90","","90","","90","","238128","8","296","2","296","2","","","","","","","","7","F m m m","-F 2 2","69","M12L24 sphere 2b from ligand 1b and Pd2+","","","- C456 H264 B18 F36 N72 O267.2 Pd12 -","- C456 H264 B18 F36 N72 O267.2 Pd12 -","- C1824 H1056 B72 F144 N288 O1068.8 Pd48 -","4","0.125","","Kate Harris; Qing-Fu Sun; Sota Sato; Makoto Fujita","M12L24 Spheres with Endo and Exo Coordination Sites: Scaffolds for Non-Covalent Functionalization","Journal of the American Chemical Society","2013","135","","12497","12499","10.1021/ja4043609","","","1","synchrotron","","0.3084","0.2432","","","0.543","0.5713","","","","","","2.082","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120366","61.066","0.012","61.073","0.012","43.152","0.009","90","","135.02","0.03","90","","113758","7","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","M12L24 sphere 2b from ligand 1a and Pd2+ complexed with Ag+","","","- C456 H264 Ag19.2 B23 F92 N110.4 Pd12 -","- C456 H264 Ag19.2 B23 F92 N110.4 Pd12 -","- C912 H528 Ag38.4 B46 F184 N220.8 Pd24 -","2","0.25","","Kate Harris; Qing-Fu Sun; Sota Sato; Makoto Fujita","M12L24 Spheres with Endo and Exo Coordination Sites: Scaffolds for Non-Covalent Functionalization","Journal of the American Chemical Society","2013","135","","12497","12499","10.1021/ja4043609","","","0.75","synchrotron","","0.2036","0.1615","","","0.4424","0.465","","","","","","1.798","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120367","22.135","0.005","11.333","0.003","22.798","0.006","90","","109.147","0.007","90","","5403","2","120","2","120","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Yb@C2(13)-C84-Ad","YbC84(II)Ad","","- C68.67 H13.33 Cl2 Yb0.67 -","- C68.7227 H13.3333 Cl2 Yb0.613333 -","- C412.336 H80 Cl12 Yb3.68 -","6","1.5","","Wenjun Zhang; Mitsuaki Suzuki; Yunpeng Xie; Lipiao Bao; Wenting Cai; Zdenek Slanina; Shigeru Nagase; Ming Xu; Takeshi Akasaka; Xing Lu","Molecular Structure and Chemical Property of a Divalent Metallofullerene Yb@C2(13)-C84","Journal of the American Chemical Society","2013","135","","12730","12735","10.1021/ja405223t","","","1","synchrotron","","0.2056","0.1545","","","0.414","0.4395","","","","","","1.624","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120368","25.2813","0.0008","15.0472","0.0005","20.108","0.0006","90","","96.34","0.002","90","","7602.6","0.4","90","","90","","","","","","","","","6","C 1 2/m 1","-C 2y","12","Yb@C2(13)-C84/NiOEP/1.2carbon disulfide/0.8benzene","","","- C128 H48.8 N4 Ni S2.4 Yb -","- C125.5 H46.4 N4 Ni S2.2 Yb0.98 -","- C502 H185.6 N16 Ni4 S8.8 Yb3.92 -","4","0.5","","Wenjun Zhang; Mitsuaki Suzuki; Yunpeng Xie; Lipiao Bao; Wenting Cai; Zdenek Slanina; Shigeru Nagase; Ming Xu; Takeshi Akasaka; Xing Lu","Molecular Structure and Chemical Property of a Divalent Metallofullerene Yb@C2(13)-C84","Journal of the American Chemical Society","2013","135","","12730","12735","10.1021/ja405223t","","","0.71073","MoKα","","0.0903","0.0784","","","0.2306","0.2438","","","","","","1.074","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120369","20.2776","0.0008","12.0433","0.0005","14.5105","0.0007","90","","108.579","0.003","90","","3358.9","0.3","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H54 F24 N6 P4 -","- C64 H54 F24 N6 P4 -","- C128 H108 F48 N12 P8 -","2","0.5","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","1.54178","CuKα","","0.0678","0.0452","","","0.1093","0.1205","","","","","","1.041","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120370","10.0609","0.0003","11.2203","0.0004","21.7538","0.0007","77.9314","0.0018","85.6033","0.0018","65.5596","0.0016","2186.11","0.13","100","2","100.03","","","","","","","","","5","P -1","-P 1","2","","","","- C85 H69 F24 N6 P4 -","- C85 H69 F24 N6 P4 -","- C85 H69 F24 N6 P4 -","1","0.5","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","0.71073","MoKα","","0.1286","0.0898","","","0.2662","0.2967","","","","","","1.059","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120371","10.2801","0.0003","11.3689","0.0003","21.5399","0.0006","78.6698","0.0013","84.9093","0.0013","64.4988","0.0013","2227.88","0.11","100","2","100.03","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H80 F24 N8 P4 -","- C100 H80 F24 N8 P4 -","- C100 H80 F24 N8 P4 -","1","0.5","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","0.71073","MoKα","","0.1023","0.091","","","0.2082","0.2134","","","","","","1.18","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120372","10.415","0.007","11.339","0.009","21.467","0.014","79.584","0.018","85.427","0.013","65.79","0.02","2274","3","100","2","99.98","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H69 F24 N7 P4 -","- C84 H69 F24 N7 P4 -","- C84 H69 F24 N7 P4 -","1","0.5","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","1.54178","CuKα","","0.1348","0.106","","","0.3191","0.3515","","","","","","1.422","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120373","10.4803","0.0004","11.3488","0.0005","21.4424","0.0009","80.251","0.003","86.771","0.003","64.519","0.002","2268.62","0.17","100","2","100.12","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H84 F24 N8 P4 -","- C104 H84 F24 N8 P4 -","- C104 H84 F24 N8 P4 -","1","0.5","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","1.54178","CuKα","","0.0595","0.0447","","","0.1137","0.1231","","","","","","1.021","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120374","10.4796","0.0003","11.3841","0.0003","21.5563","0.0006","80.426","0.002","86.4069","0.0017","63.3018","0.0016","2265.29","0.11","100","2","99.95","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H84 F24 N8 P4 -","- C104 H84 F24 N8 P4 -","- C104 H84 F24 N8 P4 -","1","0.5","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","1.54178","CuKα","","0.0636","0.0534","","","0.1526","0.1608","","","","","","1.051","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120375","14.4428","0.0006","38.4816","0.0014","12.1196","0.0004","90","","90","","90","","6735.9","0.4","100","2","99.99","","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C67 H54 F24 N6 O4 P4 -","- C67 H54 F24 N6 O4 P4 -","- C268 H216 F96 N24 O16 P16 -","4","","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","1.54178","CuKα","","0.098","0.0791","","","0.2195","0.2394","","","","","","1.079","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120376","14.9134","0.0006","38.0668","0.0017","12.1063","0.0005","90","","90","","90","","6872.8","0.5","100","2","100.01","","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C70 H54 F24 N6 O4 P4 -","- C70 H54 F24 N6 O4 P4 -","- C280 H216 F96 N24 O16 P16 -","4","","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","1.54178","CuKα","","0.0732","0.0422","","","0.0994","0.1151","","","","","","1.034","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120377","20.0817","0.0007","12.1032","0.0004","14.4581","0.0006","90","","106.223","0.003","90","","3374.2","0.2","100","2","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H55 F24 N5 O P4 -","- C69 H55 F24 N5 O P4 -","- C138 H110 F48 N10 O2 P8 -","2","0.5","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","1.54178","CuKα","","0.0758","0.0624","","","0.1711","0.1822","","","","","","1.086","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120378","9.7902","0.0004","14.1309","0.0006","27.6171","0.0012","90","","95.911","0.002","90","","3800.4","0.3","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H58 Cl6 F24 N4 O2 P4 -","- C76 H58 Cl6 F24 N4 O2 P4 -","- C152 H116 Cl12 F48 N8 O4 P8 -","2","0.5","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","0.71073","MoKα","","0.1012","0.0722","","","0.2057","0.2347","","","","","","1.017","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120379","10.4059","0.0003","11.3697","0.0003","21.2021","0.0005","81.1853","0.0012","86.2716","0.0013","64.9951","0.0011","2246.5","0.1","100","2","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C97 H85.5 F24 N12.5 O4 P4 -","- C97 H85.5 F24 N12.5 O4 P4 -","- C97 H85.5 F24 N12.5 O4 P4 -","1","0.5","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","0.71073","MoKα","","0.1454","0.1051","","","0.2775","0.3111","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176467","2020-10-21","18:00:00",""
"4120380","10.7789","0.0003","11.107","0.0003","21.1327","0.0005","81.978","0.001","88.551","0.001","67.138","0.001","2307.31","0.11","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C98 H78 Cl6 F24 N8 P4 -","- C98 H78 Cl6 F24 N8 P4 -","- C98 H78 Cl6 F24 N8 P4 -","1","0.5","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","1.54178","CuKα","","0.047","0.0435","","","0.1208","0.1239","","","","","","1.054","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120381","10.8213","0.0003","13.5278","0.0003","21.903","0.0006","88.5705","0.0013","86.4287","0.0012","72.7606","0.0011","3056.28","0.14","100","2","99.98","","","","","","","","","6","P -1","-P 1","2","","","","- C112 H116 F24 N12 O10 P4 -","- C112 H116 F24 N12 O10 P4 -","- C112 H116 F24 N12 O10 P4 -","1","0.5","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","1.54178","CuKα","","0.0602","0.0544","","","0.1563","0.162","","","","","","1.095","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120382","23.402","0.002","5.3155","0.0005","11.6756","0.001","90","","110.802","0.001","90","","1357.7","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cis-1","cis-dibromooctafluoroazobenzene polymorph 1","","- C12 Br2 F8 N2 -","- C12 Br2 F8 N2 -","- C48 Br8 F32 N8 -","4","0.5","","Oleksandr S. Bushuyev; Anna Tomberg; Tomislav Friščić; Christopher J. Barrett","Shaping Crystals with Light: Crystal-to-Crystal Isomerization and Photomechanical Effect in Fluorinated Azobenzenes","Journal of the American Chemical Society","2013","135","","12556","12559","10.1021/ja4063019","","","0.71073","MoKα","","0.0216","0.02","","","0.0513","0.052","","","","","","1.06","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120383","13.707","0.003","5.597","0.0011","18.138","0.003","90","","103.254","0.002","90","","1354.4","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cis-1a","cis-dibromooctafluoroazobenzene, polymorph 2","","- C12 Br2 F8 N2 -","- C12 Br2 F8 N2 -","- C48 Br8 F32 N8 -","4","0.5","","Oleksandr S. Bushuyev; Anna Tomberg; Tomislav Friščić; Christopher J. Barrett","Shaping Crystals with Light: Crystal-to-Crystal Isomerization and Photomechanical Effect in Fluorinated Azobenzenes","Journal of the American Chemical Society","2013","135","","12556","12559","10.1021/ja4063019","","","0.71073","MoKα","","0.021","0.0183","","","0.0445","0.0455","","","","","","1.063","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120384","24.454","0.002","5.3242","0.0005","11.8259","0.0011","90","","109.769","0.001","90","","1449","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cis-2","cis-diiodooctafluoroazobenzene","","- C12 F8 I2 N2 -","- C12 F8 I2 N2 -","- C48 F32 I8 N8 -","4","0.5","","Oleksandr S. Bushuyev; Anna Tomberg; Tomislav Friščić; Christopher J. Barrett","Shaping Crystals with Light: Crystal-to-Crystal Isomerization and Photomechanical Effect in Fluorinated Azobenzenes","Journal of the American Chemical Society","2013","135","","12556","12559","10.1021/ja4063019","","","0.71073","MoKα","","0.0266","0.0219","","","0.0541","0.0563","","","","","","1.047","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120385","10.2501","0.0016","7.6361","0.0012","8.7415","0.0014","90","","108.01","0.002","90","","650.68","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","trans-1","trans-dibromooctafluoroazobenzene","","- C12 Br2 F8 N2 -","- C12 Br2 F8 N2 -","- C24 Br4 F16 N4 -","2","0.5","","Oleksandr S. Bushuyev; Anna Tomberg; Tomislav Friščić; Christopher J. Barrett","Shaping Crystals with Light: Crystal-to-Crystal Isomerization and Photomechanical Effect in Fluorinated Azobenzenes","Journal of the American Chemical Society","2013","135","","12556","12559","10.1021/ja4063019","","","0.71073","MoKα","","0.0191","0.0175","","","0.0454","0.0462","","","","","","1.073","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120386","10.324","0.001","5.968","0.0006","24.112","0.002","90","","100.176","0.001","90","","1462.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","trans-2","trans-azo(4-iodo-2,3,5,6-tetrafluoro)benzene","","- C12 F8 I2 N2 -","- C12 F8 I2 N2 -","- C48 F32 I8 N8 -","4","1","","Oleksandr S. Bushuyev; Anna Tomberg; Tomislav Friščić; Christopher J. Barrett","Shaping Crystals with Light: Crystal-to-Crystal Isomerization and Photomechanical Effect in Fluorinated Azobenzenes","Journal of the American Chemical Society","2013","135","","12556","12559","10.1021/ja4063019","","","0.71073","MoKα","","0.0369","0.0273","","","0.0577","0.0613","","","","","","1.053","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120387","8.894","0.018","7.79","0.016","10.57","0.02","90","","109.553","0.019","90","","690","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cis-1, irradiated","","","- C12 H Br2 F8 N2 -","- C12 Br2 F8 N2 -","- C24 Br4 F16 N4 -","2","0.5","","Oleksandr S. Bushuyev; Anna Tomberg; Tomislav Friščić; Christopher J. Barrett","Shaping Crystals with Light: Crystal-to-Crystal Isomerization and Photomechanical Effect in Fluorinated Azobenzenes","Journal of the American Chemical Society","2013","135","","12556","12559","10.1021/ja4063019","","","0.71073","MoKα","","0.1293","0.1169","","","0.2855","0.3035","","","","","","1.287","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120388","15.5832","0.0008","15.5832","0.0008","15.5832","0.0008","113.28","","113.28","","113.28","","2416.9","0.2","200","2","200","2","","","","","","","","4","R -3 :R","-P 3*","148","","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C90 H114 N18 O24 -","6","1","","Jaeyune Ryu; Jaesung Kwak; Kwangmin Shin; Donggun Lee; Sukbok Chang","Ir(III)-Catalyzed Mild C-H Amidation of Arenes and Alkenes: An Efficient Usage of Acyl Azides as the Nitrogen Source","Journal of the American Chemical Society","2013","135","","12861","12868","10.1021/ja406383h","","","0.71073","MoKα","","0.0979","0.052","","","0.1416","0.1836","","","","","","0.925","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120389","16.574","0.002","16.933","0.002","17.319","0.002","109.424","0.002","93.059","0.003","116.144","0.002","3998.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45.5 H59 N2 O3 P Pd -","- C45.5 H59 N2 O3 P Pd -","- C182 H236 N8 O12 P4 Pd4 -","4","2","","M. Alexander Düfert; Kelvin L. Billingsley; Stephen L. Buchwald","Suzuki-Miyaura Cross-Coupling of Unprotected, Nitrogen-Rich Heterocycles: Substrate Scope and Mechanistic Investigation","Journal of the American Chemical Society","2013","135","","12877","12885","10.1021/ja4064469","","","0.71073","MoKα","","0.0563","0.0369","","","0.0809","0.0898","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120390","21.2344","0.0015","12.7861","0.0009","22.3397","0.0015","90","","94.007","0.001","90","","6050.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H84 Cl2 O6 P2 Pd2 -","- C65 H84 Cl2 O6 P2 Pd2 -","- C260 H336 Cl8 O24 P8 Pd8 -","4","1","","M. Alexander Düfert; Kelvin L. Billingsley; Stephen L. Buchwald","Suzuki-Miyaura Cross-Coupling of Unprotected, Nitrogen-Rich Heterocycles: Substrate Scope and Mechanistic Investigation","Journal of the American Chemical Society","2013","135","","12877","12885","10.1021/ja4064469","","","0.71073","MoKα","","0.0294","0.0225","","","0.0552","0.0608","","","","","","1.093","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120391","21.025","0.004","3.9199","0.0009","18.035","0.004","90","","102.754","0.016","90","","1449.7","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H4 B2 Br2 Cl4 -","- C12 H4 B2 Br2 Cl4 -","- C48 H16 B8 Br8 Cl16 -","4","0.5","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.1103","0.0734","","","0.1759","0.1989","","","","","","0.917","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120392","23.229","0.003","23.229","0.003","9.9083","0.0016","90","","90","","90","","5346.4","1.3","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C30 H28 B2 Br2 -","- C30 H28 B2 Br2 -","- C240 H224 B16 Br16 -","8","0.5","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.1458","0.0678","","","0.1303","0.1608","","","","","","0.947","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120393","11.9805","0.0015","11.5699","0.001","10.2947","0.001","90","","106.656","0.008","90","","1367.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 B2 Cl4 -","- C30 H26 B2 Cl4 -","- C60 H52 B4 Cl8 -","2","0.5","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.0749","0.0674","","","0.2084","0.2132","","","","","","1.111","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120394","9.5641","0.0012","9.7285","0.0011","13.4353","0.0016","105.904","0.009","93.977","0.01","116.008","0.009","1054.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H40 B2 Cl6 -","- C44 H40 B2 Cl6 -","- C44 H40 B2 Cl6 -","1","0.5","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.1191","0.0791","","","0.207","0.229","","","","","","1.018","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120395","11.485","0.003","12.106","0.003","12.699","0.003","80.93","0.02","77.573","0.018","70.65","0.02","1619.7","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H34 B2 S2 -","- C38 H34 B2 S2 -","- C76 H68 B4 S4 -","2","1","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.2144","0.0872","","","0.1595","0.2054","","","","","","0.916","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120396","12.195","0.002","12.964","0.002","13.539","0.002","105.397","0.012","95.611","0.014","97.723","0.014","2024.9","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H38 B2 S4 -","- C46 H38 B2 S4 -","- C92 H76 B4 S8 -","2","1","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.1688","0.0815","","","0.161","0.1917","","","","","","0.979","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120397","8.7811","0.0005","30.8951","0.0013","14.718","0.0007","90","","90.672","0.004","90","","3992.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H52 B2 S2 -","- C46 H52 B2 S2 -","- C184 H208 B8 S8 -","4","1","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.1368","0.1123","","","0.278","0.292","","","","","","1.083","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120398","11.8177","0.0004","14.8184","0.0005","18.1562","0.0007","90","","90","","90","","3179.5","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H34 B2 S2 -","- C38 H34 B2 S2 -","- C152 H136 B8 S8 -","4","1","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.0531","0.0494","","","0.1277","0.1301","","","","","","1.031","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120399","11.459","0.002","13.621","0.003","16.063","0.004","71.605","0.018","89.097","0.019","81.899","0.017","2354.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H86 B2 Cl12 N4 -","- C106 H86 B2 Cl12 N4 -","- C106 H86 B2 Cl12 N4 -","1","0.5","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.3566","0.1507","","","0.2826","0.3813","","","","","","0.953","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120400","22.998","0.003","22.998","0.003","9.8225","0.0013","90","","90","","90","","5195.2","1.2","173","2","173","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C32 H28 Br2 -","- C32 H28 Br2 -","- C256 H224 Br16 -","8","0.5","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.1252","0.0732","","","0.1272","0.1415","","","","","","1.116","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120401","8.7038","0.0009","9.9052","0.001","11.359","0.0011","83.376","0.008","84.245","0.008","73.208","0.008","928.97","0.17","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C47 H42 S2 -","- C47 H42 S2 -","- C47 H42 S2 -","1","0.5","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.0792","0.0504","","","0.1205","0.1319","","","","","","0.949","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120402","18.7389","0.0014","6.0768","0.0004","21.691","0.0017","90","","112.912","0.002","90","","2275.1","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 O -","- C14 H18 O -","- C112 H144 O8 -","8","1","","Álvaro Gutiérrez-Bonet; Areli Flores-Gaspar; Ruben Martin","Fe-Catalyzed Regiodivergent [1,2]-Shift of α-Aryl Aldehydes","Journal of the American Chemical Society","2013","135","","12576","12579","10.1021/ja4068707","","","0.71073","MoKα","","0.0537","0.0498","","","0.1392","0.1421","","","","","","1.128","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120403","10.1059","0.0005","16.9341","0.0007","18.0259","0.0009","90","","92.838","0.002","90","","3081.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 B Fe O3 P2 -","- C33 H41 B Fe O3 P2 -","- C132 H164 B4 Fe4 O12 P8 -","4","1","","Daniel L. M. Suess; Jonas C. Peters","A CO-Derived Iron Dicarbyne That Releases Olefin upon Hydrogenation","Journal of the American Chemical Society","2013","135","","12580","12583","10.1021/ja406874k","","","0.71073","MoKα","","0.0499","0.0302","","","0.0871","0.0921","","","","","","1.043","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120404","16.8731","0.001","9.0298","0.0005","21.5015","0.0012","90","","110.704","0.002","90","","3064.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 B Fe O2 P2 -","- C32 H41 B Fe O2 P2 -","- C128 H164 B4 Fe4 O8 P8 -","4","1","","Daniel L. M. Suess; Jonas C. Peters","A CO-Derived Iron Dicarbyne That Releases Olefin upon Hydrogenation","Journal of the American Chemical Society","2013","135","","12580","12583","10.1021/ja406874k","","","0.71073","MoKα","","0.0927","0.0528","","","0.1146","0.132","","","","","","1.075","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120405","9.5324","0.0006","9.717","0.0007","17.889","0.0016","98.981","0.003","99.435","0.003","105.95","0.002","1535.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H43 B Fe O2 P2 -","- C32 H43 B Fe O2 P2 -","- C64 H86 B2 Fe2 O4 P4 -","2","1","","Daniel L. M. Suess; Jonas C. Peters","A CO-Derived Iron Dicarbyne That Releases Olefin upon Hydrogenation","Journal of the American Chemical Society","2013","135","","12580","12583","10.1021/ja406874k","","","0.71073","MoKα","","0.0515","0.0333","","","0.0924","0.0976","","","","","","1.015","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120406","16.736","0.003","11.266","0.002","31.692","0.009","90","","92.526","0.01","90","","5970","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H81 B Fe K O12 P2 -","- C60 H81 B Fe K O12 P2 -","- C240 H324 B4 Fe4 K4 O48 P8 -","4","1","","Daniel L. M. Suess; Jonas C. Peters","A CO-Derived Iron Dicarbyne That Releases Olefin upon Hydrogenation","Journal of the American Chemical Society","2013","135","","12580","12583","10.1021/ja406874k","","","0.71073","MoKα","","0.0807","0.0375","","","0.0756","0.0833","","","","","","0.919","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120407","14.3954","0.0014","14.751","0.0012","24.5846","0.0014","96.728","0.004","96.954","0.002","115.227","0.002","4604.3","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H129 B Fe K2 O23 P2 -","- C92 H129 B Fe K2 O23 P2 -","- C184 H258 B2 Fe2 K4 O46 P4 -","2","1","","Daniel L. M. Suess; Jonas C. Peters","A CO-Derived Iron Dicarbyne That Releases Olefin upon Hydrogenation","Journal of the American Chemical Society","2013","135","","12580","12583","10.1021/ja406874k","","","0.71073","MoKα","","0.0857","0.0472","","","0.1091","0.1242","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120408","12.6336","0.0012","18.0101","0.0017","18.2534","0.0013","90.693","0.002","103.06","0.003","90.701","0.003","4045","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H59 B Fe O2 P2 Si2 -","- C38 H59 B Fe O2 P2 Si2 -","- C152 H236 B4 Fe4 O8 P8 Si8 -","4","2","","Daniel L. M. Suess; Jonas C. Peters","A CO-Derived Iron Dicarbyne That Releases Olefin upon Hydrogenation","Journal of the American Chemical Society","2013","135","","12580","12583","10.1021/ja406874k","","","0.71073","MoKα","","0.0688","0.0379","","","0.0907","0.0984","","","","","","0.948","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120409","16.815","0.002","16.251","0.0013","17.682","0.0013","90","","91.7","0.003","90","","4829.7","0.8","230","1","230","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Moris-284 (Dana)","","","- C21 H24 Cl3 N3 Ti -","- C21 H24 Cl3 N3 Ti -","- C168 H192 Cl24 N24 Ti8 -","8","2","","Dana Shoken; Manab Sharma; Mark Botoshansky; Matthias Tamm; Moris S. Eisen","Mono(imidazolin-2-iminato) Titanium Complexes for Ethylene Polymerization at Low Amounts of Methylaluminoxane","Journal of the American Chemical Society","2013","135","","12592","12595","10.1021/ja406925z","","","0.71073","MoKα","","0.2104","0.1802","","","0.4719","0.4927","","","","","","3.399","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120410","9.782","0.002","12.497","0.002","25.54","0.005","88.17","0.02","84.97","0.02","80.52","0.02","3067.2","1","240","2","240","2","","","","","","","","4","P -1","-P 1","2","Moris-216 (Manab)","","","- C30 H45 N3 Ti -","- C30 H45 N3 Ti -","- C120 H180 N12 Ti4 -","4","2","","Dana Shoken; Manab Sharma; Mark Botoshansky; Matthias Tamm; Moris S. Eisen","Mono(imidazolin-2-iminato) Titanium Complexes for Ethylene Polymerization at Low Amounts of Methylaluminoxane","Journal of the American Chemical Society","2013","135","","12592","12595","10.1021/ja406925z","","","0.71073","MoKα","","0.169","0.0596","","","0.1054","0.1286","","","","","","0.855","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120411","9.441","0.002","9.489","0.002","19.86","0.004","92.5","0.02","95.35","0.03","112.65","0.03","1628.7","0.7","240","2","240","2","","","","","","","","5","P -1","-P 1","2","Moris-212 (Manab)","","","- C30 H40 Cl3 N3 Ti -","- C30 H36 Cl3 N3 Ti -","- C60 H72 Cl6 N6 Ti2 -","2","1","","Dana Shoken; Manab Sharma; Mark Botoshansky; Matthias Tamm; Moris S. Eisen","Mono(imidazolin-2-iminato) Titanium Complexes for Ethylene Polymerization at Low Amounts of Methylaluminoxane","Journal of the American Chemical Society","2013","135","","12592","12595","10.1021/ja406925z","","","0.71073","MoKα","","0.0977","0.0529","","","0.1399","0.1559","","","","","","0.918","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120412","9.512","0.002","9.59","0.002","19.951","0.005","96.54","0.03","95.29","0.02","112.14","0.03","1656.6","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Moris-215 (Manab)","","","- C31 H47 Cl N3 O0.5 Ti -","- C31 H47 Cl N3 O0.5 Ti -","- C62 H94 Cl2 N6 O Ti2 -","2","1","","Dana Shoken; Manab Sharma; Mark Botoshansky; Matthias Tamm; Moris S. Eisen","Mono(imidazolin-2-iminato) Titanium Complexes for Ethylene Polymerization at Low Amounts of Methylaluminoxane","Journal of the American Chemical Society","2013","135","","12592","12595","10.1021/ja406925z","","","0.71073","MoKα","","0.1758","0.0824","","","0.2225","0.2555","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120413","7.7457","0.001","9.8404","0.0012","10.4432","0.0013","79.17","0.006","74.612","0.006","70.558","0.005","719.34","0.16","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H53 N2 Ni O3 -","- C28 H56 N2 Ni O2 -","- C28 H56 N2 Ni O2 -","1","1","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Volatile and Thermally Stable Mid to Late Transition Metal Complexes Containing α-Imino Alkoxide Ligands, a New Strongly Reducing Coreagent, and Thermal Atomic Layer Deposition of Ni, Co, Fe, and Cr Metal Films","Journal of the American Chemical Society","2013","135","","12588","12591","10.1021/ja407014w","","","0.71073","MoKα","","0.027","0.0252","","","0.0885","0.0911","","","","","","0.792","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120414","7.74","0.0007","9.8222","0.0009","10.4549","0.0009","79.22","0.004","74.838","0.004","70.499","0.004","718.79","0.11","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H51 Co N3 O2 -","- C28 H56 Co N2 O2 -","- C28 H56 Co N2 O2 -","1","1","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Volatile and Thermally Stable Mid to Late Transition Metal Complexes Containing α-Imino Alkoxide Ligands, a New Strongly Reducing Coreagent, and Thermal Atomic Layer Deposition of Ni, Co, Fe, and Cr Metal Films","Journal of the American Chemical Society","2013","135","","12588","12591","10.1021/ja407014w","","","0.71073","MoKα","","0.0304","0.0263","","","0.0929","0.0985","","","","","","0.812","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120415","9.1671","0.0005","16.15","0.0009","20.4953","0.0011","90","","90","","90","","3034.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H56 Mn N O -","- C28 H56 Mn N2 O2 -","- C112 H224 Mn4 N8 O8 -","4","1","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Volatile and Thermally Stable Mid to Late Transition Metal Complexes Containing α-Imino Alkoxide Ligands, a New Strongly Reducing Coreagent, and Thermal Atomic Layer Deposition of Ni, Co, Fe, and Cr Metal Films","Journal of the American Chemical Society","2013","135","","12588","12591","10.1021/ja407014w","","","0.71073","MoKα","","0.0285","0.0249","","","0.0819","0.0881","","","","","","0.782","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120416","7.7205","0.0008","9.8256","0.0011","10.5948","0.0012","80.459","0.005","76.204","0.005","70.773","0.005","733.64","0.14","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H53 Cr N6 O2 -","- C28 H55 Cr N2 O2 -","- C28 H55 Cr N2 O2 -","1","1","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Volatile and Thermally Stable Mid to Late Transition Metal Complexes Containing α-Imino Alkoxide Ligands, a New Strongly Reducing Coreagent, and Thermal Atomic Layer Deposition of Ni, Co, Fe, and Cr Metal Films","Journal of the American Chemical Society","2013","135","","12588","12591","10.1021/ja407014w","","","0.71073","MoKα","","0.0328","0.0303","","","0.092","0.0958","","","","","","0.612","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120417","25.841","0.008","12.128","0.004","14.828","0.005","90","","123.316","0.01","90","","3883","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H23 Cu F5 K N2 O3 -","- C12 H23 Cu F5 K N2 O3 -","- C96 H184 Cu8 F40 K8 N16 O24 -","8","1","","Anton Lishchynskyi; Vladimir V. Grushin","Cupration of C2F5H: Isolation, Structure, and Synthetic Applications of [K(DMF)2][(t-BuO)Cu(C2F5)]. Highly Efficient Pentafluoroethylation of Unactivated Aryl Bromides","Journal of the American Chemical Society","2013","135","","12584","12587","10.1021/ja407017j","","","0.71073","MoKα","","0.0786","0.0478","","","0.1104","0.1286","","","","","","1.048","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120418","23.7726","0.0006","8.5915","0.0002","16.3896","0.0004","90","","103.285","0.001","90","","3257.87","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H21 F5 N2 Pd -","- C14.06 H21.16 F5 N2 Pd -","- C112.48 H169.28 F40 N16 Pd8 -","8","1","","Anton Lishchynskyi; Vladimir V. Grushin","Cupration of C2F5H: Isolation, Structure, and Synthetic Applications of [K(DMF)2][(t-BuO)Cu(C2F5)]. Highly Efficient Pentafluoroethylation of Unactivated Aryl Bromides","Journal of the American Chemical Society","2013","135","","12584","12587","10.1021/ja407017j","","","0.71073","MoKα","","0.0262","0.0224","","","0.0538","0.0557","","","","","","1.049","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120419","22.499","0.004","5.9223","0.001","7.5985","0.0013","90","","90","","90","","1012.5","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C12 H7 F5 -","- C12 H7 F5 -","- C48 H28 F20 -","4","1","","Anton Lishchynskyi; Vladimir V. Grushin","Cupration of C2F5H: Isolation, Structure, and Synthetic Applications of [K(DMF)2][(t-BuO)Cu(C2F5)]. Highly Efficient Pentafluoroethylation of Unactivated Aryl Bromides","Journal of the American Chemical Society","2013","135","","12584","12587","10.1021/ja407017j","","","0.71073","MoKα","","0.051","0.0407","","","0.0815","0.0862","","","","","","1.086","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120420","8.3759","0.0011","10.6746","0.0014","11.5652","0.0015","90","","90","","90","","1034","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","ZW03183","toste79","","- C14 H12 O2 -","- C14 H12 O2 -","- C56 H48 O8 -","4","1","","Weiwei Zi; F. Dean Toste","Gold(I)-Catalyzed Enantioselective Carboalkoxylation of Alkynes","Journal of the American Chemical Society","2013","135","","12600","12603","10.1021/ja407150h","","","1.54178","CuKα","","0.0247","0.0245","","","0.0656","0.0658","","","","","","1.072","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4120421","17.083","0.002","18.098","0.003","7.4267","0.0011","90","","90","","90","","2296.1","0.6","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H12 B N O2 -","- C12 H12 B N O2 -","- C96 H96 B8 N8 O16 -","8","1","","Eric R. Abbey; Ashley N. Lamm; Andrew W. Baggett; Lev N. Zakharov; Shih-Yuan Liu","Protecting Group-Free Synthesis of 1,2-Azaborines: A Simple Approach to the Construction of BN-Benzenoids","Journal of the American Chemical Society","2013","135","","12908","12913","10.1021/ja4073436","","","0.71073","MoKα","","0.0736","0.0431","","","0.0867","0.1016","","","","","","1.053","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120422","29.5015","0.0015","7.4179","0.0004","28.8636","0.0014","90","","112.728","0.001","90","","5826","0.5","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 B N -","- C18 H18 B N -","- C288 H288 B16 N16 -","16","2","","Eric R. Abbey; Ashley N. Lamm; Andrew W. Baggett; Lev N. Zakharov; Shih-Yuan Liu","Protecting Group-Free Synthesis of 1,2-Azaborines: A Simple Approach to the Construction of BN-Benzenoids","Journal of the American Chemical Society","2013","135","","12908","12913","10.1021/ja4073436","","","0.71073","MoKα","","0.0732","0.0499","","","0.1203","0.1347","","","","","","1.08","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120423","14.362","0.005","14.362","0.005","9.724","0.005","90","","90","","120","","1737","1.2","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Ga5 K Se12 -","- Cd3.9975 Ga4.98 K Se12 -","- Cd11.9925 Ga14.94 K3 Se36 -","3","0.333333","","Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu","Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12","Journal of the American Chemical Society","2013","135","","12914","12921","10.1021/ja4074084","","","0.71073","MoKα","","0.0307","0.0278","","","0.0543","0.0548","","","","","","1.078","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120424","14.4055","0.001","14.4055","0.001","9.7688","0.0019","90","","90","","120","","1755.6","0.4","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Ga5 Rb Se12 -","- Cd4.0002 Ga4.98 Rb Se12 -","- Cd12.0006 Ga14.94 Rb3 Se36 -","3","0.333333","","Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu","Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12","Journal of the American Chemical Society","2013","135","","12914","12921","10.1021/ja4074084","","","0.71073","MoKα","","0.0275","0.0254","","","0.0412","0.0422","","","","","","0.999","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120425","14.4204","0.0008","14.4204","0.0008","9.7803","0.0013","90","","90","","120","","1761.3","0.3","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Cs Ga5 Se12 -","- Cd3.9975 Cs Ga5.01 Se12 -","- Cd11.9925 Cs3 Ga15.03 Se36 -","3","0.333333","","Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu","Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12","Journal of the American Chemical Society","2013","135","","12914","12921","10.1021/ja4074084","","","0.71073","MoKα","","0.035","0.0316","","","0.0711","0.0729","","","","","","1.012","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120426","14.827","0.0005","14.827","0.0005","10.0747","0.0005","90","","90","","120","","1918.09","0.13","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 In5 Rb Se12 -","- Cd3.9996 In5.0004 Rb Se12 -","- Cd11.9988 In15.0012 Rb3 Se36 -","3","0.333333","","Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu","Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12","Journal of the American Chemical Society","2013","135","","12914","12921","10.1021/ja4074084","","","0.71073","MoKα","","0.0296","0.0292","","","0.0685","0.0687","","","","","","1.083","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120427","14.864","0.005","14.864","0.005","10.102","0.005","90","","90","","120","","1932.9","1.3","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Cs In5 Se12 -","- Cd3.9996 Cs In5.0004 Se12 -","- Cd11.9988 Cs3 In15.0012 Se36 -","3","0.333333","","Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu","Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12","Journal of the American Chemical Society","2013","135","","12914","12921","10.1021/ja4074084","","","0.71073","MoKα","","0.0279","0.0276","","","0.0639","0.0641","","","","","","1.098","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120428","14.6793","0.0009","14.6793","0.0009","9.9732","0.0011","90","","90","","120","","1861.1","0.3","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- In5 Mn4 Rb Se12 -","- In5.0007 Mn3.9993 Rb Se12 -","- In15.0021 Mn11.9979 Rb3 Se36 -","3","0.333333","","Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu","Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12","Journal of the American Chemical Society","2013","135","","12914","12921","10.1021/ja4074084","","","0.71073","MoKα","","0.034","0.0306","","","0.0598","0.0608","","","","","","1.053","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120429","14.7202","0.0008","14.7202","0.0008","10.0035","0.0011","90","","90","","120","","1877.2","0.3","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cs In5 Mn4 Se12 -","- Cs In5.0007 Mn3.9993 Se12 -","- Cs3 In15.0021 Mn11.9979 Se36 -","3","0.333333","","Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu","Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12","Journal of the American Chemical Society","2013","135","","12914","12921","10.1021/ja4074084","","","0.71073","MoKα","","0.0461","0.0396","","","0.0863","0.0893","","","","","","1.016","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120430","11.5083","0.0004","11.7852","0.0004","16.1123","0.0006","90","","90","","90","","2185.27","0.13","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H33 F3 N4 Ni O5 S -","- C16 H33 F3 N4 Ni O5 S -","- C64 H132 F12 N16 Ni4 O20 S4 -","4","1","","Heims, Florian; Pfaff, Florian Felix; Abram, Sarah-Luise; Farquhar, Erik R.; Bruschi, Maurizio; Greco, Claudio; Ray, Kallol","Redox non-innocence of a N-heterocyclic nitrenium cation bound to a nickel-cyclam core.","Journal of the American Chemical Society","2014","136","2","582","585","10.1021/ja4099559","","","0.71073","MoKα","","0.0481","0.0391","","","0.066","0.0668","","","","","","1.747","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120431","17.2639","0.0006","18.5917","0.0006","20.0435","0.0006","90","","90","","90","","6433.3","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H41 F12 N8 Ni P2 -","- C24 H41 F12 N8 Ni P2 -","- C192 H328 F96 N64 Ni8 P16 -","8","2","","Heims, Florian; Pfaff, Florian Felix; Abram, Sarah-Luise; Farquhar, Erik R.; Bruschi, Maurizio; Greco, Claudio; Ray, Kallol","Redox non-innocence of a N-heterocyclic nitrenium cation bound to a nickel-cyclam core.","Journal of the American Chemical Society","2014","136","2","582","585","10.1021/ja4099559","","","0.71073","MoKα","","0.1267","0.0839","","","0.1715","0.194","","","","","","1.04","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120432","21.381","0.009","7.616","0.004","15.488","0.007","90","","126.334","0.012","90","","2031.7","1.7","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C15 H19 Cl Cu N7 O6 -","- C15 H19 Cl Cu N7 O6 -","- C60 H76 Cl4 Cu4 N28 O24 -","4","0.5","","Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M.","Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks.","Journal of the American Chemical Society","2014","136","2","671","678","10.1021/ja4088709","","","0.71073","MoKα","","0.102","0.0641","","","0.1623","0.1884","","","","","","1.109","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120433","21.5868","0.001","7.3214","0.0003","18.2301","0.001","90","","116.799","0.003","90","","2571.7","0.2","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36 H52 Cl2 Cu2 N16 O13 -","- C36 H52 Cl2 Cu2 N16 O13 -","- C72 H104 Cl4 Cu4 N32 O26 -","2","0.25","","Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M.","Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks.","Journal of the American Chemical Society","2014","136","2","671","678","10.1021/ja4088709","","","0.71073","MoKα","","0.1354","0.113","","","0.3167","0.3414","","","","","","1.095","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120434","7.3259","0.0008","21.889","0.002","30.024","0.003","90","","90","","90","","4814.5","0.8","100","2","100","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C16 H23 Cl Cu N7 O6 -","- C16 H23 Cl Cu N7 O6 -","- C128 H184 Cl8 Cu8 N56 O48 -","8","","","Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M.","Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks.","Journal of the American Chemical Society","2014","136","2","671","678","10.1021/ja4088709","","","0.71073","MoKα","","0.1384","0.1288","","","0.3591","0.3659","","","","","","1.182","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120435","21.088","0.012","7.861","0.005","15.11","0.009","90","","123.989","0.006","90","","2077","2","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C17 H23 Cl Cu N7 O6 -","- C17 H23 Cl Cu N7 O6 -","- C68 H92 Cl4 Cu4 N28 O24 -","4","0.5","","Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M.","Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks.","Journal of the American Chemical Society","2014","136","2","671","678","10.1021/ja4088709","","","0.71073","MoKα","","0.1284","0.115","","","0.3289","0.338","","","","","","0.992","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120436","7.4576","0.0012","11.4553","0.0018","15.173","0.002","100.375","0.012","92.657","0.012","107.116","0.011","1211.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H51 Cl2 Cu2 N15 O11 -","- C39 H51 Cl2 Cu2 N15 O11 -","- C39 H51 Cl2 Cu2 N15 O11 -","1","0.5","","Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M.","Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks.","Journal of the American Chemical Society","2014","136","2","671","678","10.1021/ja4088709","","","0.71073","MoKα","","0.1625","0.0956","","","0.2426","0.291","","","","","","1.05","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120437","11.9083","0.0003","11.9083","0.0003","71.9218","0.0007","90","","90","","120","","8832.6","0.3","296","2","296","2","","","","","","","","4","P 65","P 65","170","hof-2-r-pea","","","- C44 H44 N20 O3 -","- C44 H44 N20 O3 -","- C264 H264 N120 O18 -","6","1","","Li, Peng; He, Yabing; Guang, Jie; Weng, Linghong; Zhao, John Cong-Gui; Xiang, Shengchang; Chen, Banglin","A homochiral microporous hydrogen-bonded organic framework for highly enantioselective separation of secondary alcohols.","Journal of the American Chemical Society","2014","136","2","547","549","10.1021/ja4129795","","","1.54178","CuKα","","0.1029","0.0873","","","0.1505","0.1566","","","","","","1.002","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120438","11.8925","0.0008","11.8925","0.0008","71.857","0.004","90","","90","","120","","8801.3","1","296","2","296","2","","","","","","","","4","P 65","P 65","170","hof-2-s-pea","","","- C44 H44 N20 O3 -","- C44 H44 N20 O3 -","- C264 H264 N120 O18 -","6","1","","Li, Peng; He, Yabing; Guang, Jie; Weng, Linghong; Zhao, John Cong-Gui; Xiang, Shengchang; Chen, Banglin","A homochiral microporous hydrogen-bonded organic framework for highly enantioselective separation of secondary alcohols.","Journal of the American Chemical Society","2014","136","2","547","549","10.1021/ja4129795","","","1.54178","CuKα","","0.1032","0.0855","","","0.2677","0.2108","","","","","","1.044","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120439","11.8861","0.0007","11.8861","0.0007","71.796","0.008","90","","90","","120","","8784.4","1.2","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C36 H34 N20 O2 -","- C36 H34 N20 O2 -","- C216 H204 N120 O12 -","6","1","","Li, Peng; He, Yabing; Guang, Jie; Weng, Linghong; Zhao, John Cong-Gui; Xiang, Shengchang; Chen, Banglin","A homochiral microporous hydrogen-bonded organic framework for highly enantioselective separation of secondary alcohols.","Journal of the American Chemical Society","2014","136","2","547","549","10.1021/ja4129795","","","1.54178","CuKα","","0.1029","0.0877","","","0.1918","0.1991","","","","","","1.002","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120440","7.127","0.005","7.543","0.005","12.014","0.005","83.495","0.005","88.783","0.005","67.724","0.005","593.6","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0301","0.0285","","","0.0776","0.0785","","","","","","1.091","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120441","8.035","0.0005","8.2606","0.0006","9.7665","0.0007","77.26","0.001","73.554","0.001","78.132","0.001","599.26","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0257","0.0253","","","0.076","0.0764","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120442","7.9345","0.0004","8.2352","0.0004","9.7232","0.0004","77.5","0.001","72.92","0.003","77.61","0.001","585.11","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0231","0.023","","","0.0671","0.0671","","","","","","0.976","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120443","7.9548","0.0011","8.2408","0.0012","9.7333","0.0014","77.482","0.001","73.031","0.001","77.695","0.001","588.05","0.15","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0231","0.0229","","","0.0677","0.068","","","","","","0.994","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120444","7.9746","0.0011","8.2474","0.0011","9.7454","0.0013","77.428","0.001","73.156","0.001","77.796","0.001","591.15","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0231","0.0228","","","0.0622","0.0623","","","","","","1.049","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120445","7.9932","0.0009","8.2504","0.0009","9.749","0.0011","77.377","0.001","73.279","0.001","77.9","0.001","593.4","0.11","175","2","175","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0242","0.0237","","","0.0668","0.0673","","","","","","1.133","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120446","8.0146","0.0009","8.2576","0.0009","9.7583","0.001","77.324","0.001","73.418","0.001","78.017","0.001","596.57","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0254","0.0248","","","0.0733","0.074","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120447","7.123","0.005","7.543","0.005","12.009","0.005","83.508","0.005","88.837","0.005","67.752","0.005","593.2","0.6","225","2","225","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0681","0.0547","","","0.1464","0.1555","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120448","14.232","0.003","16.803","0.003","14.491","0.003","90","","101.19","0.03","90","","3399.5","1.2","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H112 Cu8 -","- C64 H112 Cu8 -","- C128 H224 Cu16 -","2","0.5","","Geng, Weizhi; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng","Isolable and well-defined butadienyl organocopper(i) aggregates: facile synthesis, structural characterization, and reaction chemistry.","Journal of the American Chemical Society","2014","136","2","610","613","10.1021/ja4114243","","","0.71073","MoKα","","0.1296","0.0491","","","0.0743","0.0819","","","","","","1.009","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120449","18.6062","0.0014","14.647","0.0009","18.656","0.0016","90","","108.433","0.009","90","","4823.4","0.7","180","2","180","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H80 Cu8 -","- C48 H80 Cu8 -","- C192 H320 Cu32 -","4","1","","Geng, Weizhi; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng","Isolable and well-defined butadienyl organocopper(i) aggregates: facile synthesis, structural characterization, and reaction chemistry.","Journal of the American Chemical Society","2014","136","2","610","613","10.1021/ja4114243","","","0.71073","MoKα","","0.041","0.0274","","","0.0566","0.0618","","","","","","1.039","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120450","16.3819","0.0005","12.9444","0.0004","35.6961","0.0013","90","","101.894","0.004","90","","7407","0.4","180","2","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H116 Cl4 Cu8 Li2 N4 -","- C60 H116 Cl4 Cu8 Li2 N4 -","- C240 H464 Cl16 Cu32 Li8 N16 -","4","1","","Geng, Weizhi; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng","Isolable and well-defined butadienyl organocopper(i) aggregates: facile synthesis, structural characterization, and reaction chemistry.","Journal of the American Chemical Society","2014","136","2","610","613","10.1021/ja4114243","","","0.71073","MoKα","","0.0848","0.0551","","","0.1203","0.1365","","","","","","1.058","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120451","12.371","0.003","17.06","0.003","28.421","0.006","95.05","0.03","99.79","0.03","98.53","0.03","5806","2","180","2","180","","","","","","","","","4","P -1","-P 1","2","","","","- C96 H168 Cl4 Cu12 -","- C96 H168 Cl4 Cu12 -","- C192 H336 Cl8 Cu24 -","2","1","","Geng, Weizhi; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng","Isolable and well-defined butadienyl organocopper(i) aggregates: facile synthesis, structural characterization, and reaction chemistry.","Journal of the American Chemical Society","2014","136","2","610","613","10.1021/ja4114243","","","0.71073","MoKα","","0.0884","0.0543","","","0.1338","0.1507","","","","","","0.991","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120452","9.1034","0.0003","12.6088","0.0005","22.6274","0.0009","95.008","0.003","99.948","0.003","98.618","0.003","2512.17","0.17","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H80 Cu3 I2 Li O3 -","- C44 H80 Cu3 I2 Li O3 -","- C88 H160 Cu6 I4 Li2 O6 -","2","1","","Geng, Weizhi; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng","Isolable and well-defined butadienyl organocopper(i) aggregates: facile synthesis, structural characterization, and reaction chemistry.","Journal of the American Chemical Society","2014","136","2","610","613","10.1021/ja4114243","","","0.71073","MoKα","","0.0617","0.049","","","0.1315","0.1451","","","","","","1.032","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120453","5.681","","43.239","","14.904","","90","","90.522","","90","","3660.88","","213.1","","213.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H20 N2 O8 S2 -","- C36 H48 N2 O7.98 S2 -","- C144 H192 N8 O31.92 S8 -","4","1","","Comotti, Angiolina; Bracco, Silvia; Yamamoto, Atsushi; Beretta, Mario; Hirukawa, Tomofumi; Tohnai, Norimitsu; Miyata, Mikiji; Sozzani, Piero","Engineering switchable rotors in molecular crystals with open porosity.","Journal of the American Chemical Society","2014","136","2","618","621","10.1021/ja411233p","","","1.54187","CuKα","","","0.1374","","","","0.3206","","","","","","0.876","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120454","5.512","0.0009","43.593","0.005","14.5819","0.0019","90","","91.628","0.007","90","","3502.4","0.8","123.1","","123.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 N2 O6 S2 -","- C32 H40 N2 O6 S2 -","- C128 H160 N8 O24 S8 -","4","1","","Comotti, Angiolina; Bracco, Silvia; Yamamoto, Atsushi; Beretta, Mario; Hirukawa, Tomofumi; Tohnai, Norimitsu; Miyata, Mikiji; Sozzani, Piero","Engineering switchable rotors in molecular crystals with open porosity.","Journal of the American Chemical Society","2014","136","2","618","621","10.1021/ja411233p","","","1.54187","CuKα","","","0.1658","","","","0.4645","","","","","","0.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120455","25.6178","0.0013","19.6472","0.001","25.9073","0.0015","90","","105.802","0.002","90","","12546.8","1.2","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C145 H180 S4 Si2 -","- C145 H180 S4 Si2 -","- C580 H720 S16 Si8 -","4","1","","Lips, Felicitas; Fettinger, James C.; Mansikkamäki, Akseli; Tuononen, Heikki M.; Power, Philip P.","Reversible Complexation of Ethylene by a Silylene under Ambient Conditions.","Journal of the American Chemical Society","2014","136","2","634","637","10.1021/ja411951y","","","1.54178","CuKα","","0.0463","0.043","","","0.1196","0.1225","","","","","","1.029","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120456","11.2065","0.0012","19.85","0.002","12.2681","0.0013","90","","110.793","0.0016","90","","2551.3","0.5","90","2","90","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C62 H66 S2 Si -","- C62 H66 S2 Si -","- C124 H132 S4 Si2 -","2","0.5","","Lips, Felicitas; Fettinger, James C.; Mansikkamäki, Akseli; Tuononen, Heikki M.; Power, Philip P.","Reversible Complexation of Ethylene by a Silylene under Ambient Conditions.","Journal of the American Chemical Society","2014","136","2","634","637","10.1021/ja411951y","","","0.71073","MoKα","","0.0744","0.0702","","","0.1506","0.1527","","","","","","1.163","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120457","16.183","0.006","22.854","0.008","30.773","0.009","90","","118.013","0.014","90","","10048","6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C98 H86 As Cl N8 O6 S8 -","- C98 H86 As Cl N8 O6 S8 -","- C392 H344 As4 Cl4 N32 O24 S32 -","4","1","","Furuyama, Taniyuki; Satoh, Koh; Kushiya, Tomofumi; Kobayashi, Nagao","Design, Synthesis, and Properties of Phthalocyanine Complexes with Main-Group Elements Showing Main Absorption and Fluorescence beyond 1000 nm.","Journal of the American Chemical Society","2014","136","2","765","776","10.1021/ja411016f","","","0.71073","MoKα","","0.2623","0.0857","","","0.1892","0.2358","","","","","","0.646","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120458","17.407","0.004","37.264","0.008","29.795","0.006","90","","101.927","0.003","90","","18909","7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C83 H55 Cl3 F3 N8 O2 P1.5 S8 -","- C83 H55 Cl3 F3 N8 O2 P1.5 S8 -","- C664 H440 Cl24 F24 N64 O16 P12 S64 -","8","1","","Furuyama, Taniyuki; Satoh, Koh; Kushiya, Tomofumi; Kobayashi, Nagao","Design, Synthesis, and Properties of Phthalocyanine Complexes with Main-Group Elements Showing Main Absorption and Fluorescence beyond 1000 nm.","Journal of the American Chemical Society","2014","136","2","765","776","10.1021/ja411016f","","","0.71073","MoKα","","0.2032","0.0879","","","0.2228","0.2526","","","","","","0.845","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120459","15.5571","0.0017","17.2914","0.0019","28.018","0.003","90","","96.999","0.001","90","","7480.8","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H50 N8 Se8 -","- C80 H50 N8 Se8 -","- C320 H200 N32 Se32 -","4","1","","Furuyama, Taniyuki; Satoh, Koh; Kushiya, Tomofumi; Kobayashi, Nagao","Design, Synthesis, and Properties of Phthalocyanine Complexes with Main-Group Elements Showing Main Absorption and Fluorescence beyond 1000 nm.","Journal of the American Chemical Society","2014","136","2","765","776","10.1021/ja411016f","","","0.71073","MoKα","","0.0657","0.0429","","","0.0893","0.0949","","","","","","1.039","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120460","21.3517","0.0006","21.3517","0.0006","16.3004","0.0006","90","","90","","90","","7431.3","0.4","90","2","90","2","","","","","","","","4","P 42/n m c :2","-P 4ac 2a","137","","","","- C13 H12.25 N Te -","- C13 H12.25 N Te -","- C208 H196 N16 Te16 -","16","1","","Furuyama, Taniyuki; Satoh, Koh; Kushiya, Tomofumi; Kobayashi, Nagao","Design, Synthesis, and Properties of Phthalocyanine Complexes with Main-Group Elements Showing Main Absorption and Fluorescence beyond 1000 nm.","Journal of the American Chemical Society","2014","136","2","765","776","10.1021/ja411016f","","","1.54178","CuKα","","0.0691","0.065","","","0.2054","0.2118","","","","","","1.048","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120461","39.099","0.005","11.4435","0.0014","27.428","0.006","90","","132.005","0.001","90","","9119","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C96 H70 N8 S8 -","- C96 H82 N8 S8 -","- C384 H328 N32 S32 -","4","0.5","","Furuyama, Taniyuki; Satoh, Koh; Kushiya, Tomofumi; Kobayashi, Nagao","Design, Synthesis, and Properties of Phthalocyanine Complexes with Main-Group Elements Showing Main Absorption and Fluorescence beyond 1000 nm.","Journal of the American Chemical Society","2014","136","2","765","776","10.1021/ja411016f","","","0.71073","MoKα","","0.0685","0.0424","","","0.1079","0.1158","","","","","","1.078","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120462","26.58","0.04","10.488","0.017","32.51","0.05","90","","110.51","0.03","90","","8488","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H56 Cl3 N9 O S8 Zn -","- C84 H56 Cl3 N9 O S8 Zn -","- C336 H224 Cl12 N36 O4 S32 Zn4 -","4","1","","Furuyama, Taniyuki; Satoh, Koh; Kushiya, Tomofumi; Kobayashi, Nagao","Design, Synthesis, and Properties of Phthalocyanine Complexes with Main-Group Elements Showing Main Absorption and Fluorescence beyond 1000 nm.","Journal of the American Chemical Society","2014","136","2","765","776","10.1021/ja411016f","","","0.71073","MoKα","","0.1248","0.079","","","0.1997","0.2203","","","","","","0.996","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120463","6.801","","11.467","","6.882","","90","","94.28","","90","","535.21","","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N O6 -","- C9 H13 N O6 -","- C18 H26 N2 O12 -","2","1","","Aydillo, Carlos; Compañón, Ismael; Avenoza, Alberto; Busto, Jesús H; Corzana, Francisco; Peregrina, Jesús M; Zurbano, María M","S-Michael additions to chiral dehydroalanines as an entry to glycosylated cysteines and a sulfa-tn antigen mimic.","Journal of the American Chemical Society","2014","136","2","789","800","10.1021/ja411522f","","","0.71073","MoKα","","0.0373","0.0342","","","0.1042","0.1078","","","","","","0.866","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120464","6.4895","0.0004","12.4868","0.0012","10.0658","0.0009","90","","106.939","0.005","90","","780.28","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H21 N O6 -","- C13 H21 N O6 -","- C26 H42 N2 O12 -","2","1","","Aydillo, Carlos; Compañón, Ismael; Avenoza, Alberto; Busto, Jesús H; Corzana, Francisco; Peregrina, Jesús M; Zurbano, María M","S-Michael additions to chiral dehydroalanines as an entry to glycosylated cysteines and a sulfa-tn antigen mimic.","Journal of the American Chemical Society","2014","136","2","789","800","10.1021/ja411522f","","","0.71073","MoKα","","0.063","0.0481","","","0.1123","0.1196","","","","","","0.993","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120465","8.7207","0.0005","11.0415","0.0006","12.0957","0.0008","76.6178","0.0019","77.387","0.002","85.038","0.002","1104.93","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 Cl N2 O3 -","- C24 H27 Cl N2 O3 -","- C48 H54 Cl2 N4 O6 -","2","1","","Wang, Ming; Huang, Zhijian; Xu, Jianfeng; Chi, Yonggui Robin","N-heterocyclic carbene-catalyzed [3+4] cycloaddition and kinetic resolution of azomethine imines.","Journal of the American Chemical Society","2014","136","4","1214","1217","10.1021/ja411110f","","","0.71073","MoKα","","0.0743","0.0455","","","0.1257","0.161","","","","","","1.102","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120466","19.268","0.0014","9.7295","0.0006","13.1749","0.001","90","","110.476","0.002","90","","2313.8","0.3","103","2","103","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27.5 H25 Cl N2 O2.5 -","- C27.5 H25 Cl N2 O2.5 -","- C110 H100 Cl4 N8 O10 -","4","1","","Wang, Ming; Huang, Zhijian; Xu, Jianfeng; Chi, Yonggui Robin","N-heterocyclic carbene-catalyzed [3+4] cycloaddition and kinetic resolution of azomethine imines.","Journal of the American Chemical Society","2014","136","4","1214","1217","10.1021/ja411110f","","","0.71073","MoKα","","0.0636","0.0513","","","0.1175","0.1258","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120467","9.3625","0.001","15.5302","0.0016","19.15","0.002","106.249","0.008","100.111","0.007","103.789","0.007","2507","0.5","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H76 O3 Si8 -","- C38 H76 O3 Si8 -","- C76 H152 O6 Si16 -","2","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0608","","","","0.1559","","","","","","1.137","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120468","9.645","0.008","14.612","0.011","34.8","0.03","90","","95.245","0.01","90","","4884","7","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H78 O3 Si8 -","- C35 H78 O3 Si8 -","- C140 H312 O12 Si32 -","4","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0724","","","","0.2064","","","","","","1.072","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120469","9.8072","0.0014","15.361","0.002","18.474","0.003","112.146","0.008","95.528","0.007","98.94","0.007","2509.7","0.7","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H80 O3 Si8 -","- C36 H80 O3 Si8 -","- C72 H160 O6 Si16 -","2","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0686","","","","0.1596","","","","","","1.109","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120470","16.947","0.005","23.441","0.007","26.008","0.008","90","","90","","90","","10332","5","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C39 H84 O3 Si8 -","- C39 H84 O3 Si8 -","- C312 H672 O24 Si64 -","8","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0763","","","","0.2277","","","","","","1.088","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120471","9.3553","0.0006","14.978","0.001","18.5074","0.0013","97.412","0.007","92.695","0.007","95.354","0.007","2555.9","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H84 O3 Si8 -","- C38 H84 O3 Si8 -","- C76 H168 O6 Si16 -","2","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0488","","","","0.12","","","","","","1.049","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120472","9.0741","0.0013","15.281","0.002","21.098","0.004","83.64","0.03","87.08","0.04","74.09","0.02","2795.4","0.8","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C35 H78 O3 Si8 -","- C35 H78 O3 Si8 -","- C70 H156 O6 Si16 -","2","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0812","","","","0.256","","","","","","1.09","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120473","14.981","0.003","17.61","0.003","20.61","0.004","90","","107.525","0.008","90","","5184.9","1.7","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H78 O3 Si8 -","- C26 H50.6667 O2 Si5.33333 -","- C156 H304 O12 Si32 -","6","3","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.063","","","","0.1273","","","","","","1.01","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120474","12.453","0.008","6.088","0.003","19.577","0.015","90","","106.84","0.03","90","","1420.6","1.6","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Cl O2 -","- C17 H19 Cl O2 -","- C68 H76 Cl4 O8 -","4","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0572","","","","0.1576","","","","","","1.067","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120475","8.9854","0.001","12.5595","0.0013","15.9376","0.0017","90","","100.712","0.002","90","","1767.2","0.3","243","2","243","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 N4 W -","- C12 H30 N4 W -","- C48 H120 N16 W4 -","4","1","","McClain, K. Randall; O'Donohue, Christopher; Koley, Arijit; Bonsu, Richard O.; Abboud, Khalil A.; Revelli, Joseph C.; Anderson, Timothy J.; McElwee-White, Lisa","Tungsten Nitrido Complexes as Precursors for Low Temperature Chemical Vapor Deposition of WNxCy Films as Diffusion Barriers for Cu Metallization.","Journal of the American Chemical Society","2014","136","4","1650","1662","10.1021/ja4117582","","","0.71073","MoKα","","0.0384","0.026","","","0.0656","0.0719","","","","","","1.058","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120476","15.2965","0.0008","17.931","0.001","20.879","0.0011","90","","90","","90","","5726.7","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H34 N4 W -","- C14 H34 N4 W -","- C168 H408 N48 W12 -","12","3","","McClain, K. Randall; O'Donohue, Christopher; Koley, Arijit; Bonsu, Richard O.; Abboud, Khalil A.; Revelli, Joseph C.; Anderson, Timothy J.; McElwee-White, Lisa","Tungsten Nitrido Complexes as Precursors for Low Temperature Chemical Vapor Deposition of WNxCy Films as Diffusion Barriers for Cu Metallization.","Journal of the American Chemical Society","2014","136","4","1650","1662","10.1021/ja4117582","","","0.71073","MoKα","","0.0306","0.0214","","","0.0377","0.0393","","","","","","0.98","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120477","9.573","0.005","17.473","0.004","11.177","0.012","90","","105.99","0.05","90","","1797","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 F3 N2 Sn -","- C15 H25 F3 N2 Sn0.996 -","- C60 H100 F12 N8 Sn3.984 -","4","1","","Samuel, Prinson P.; Li, Yan; Roesky, Herbert W.; Chevelkov, Veniamin; Lange, Adam; Burkhardt, Anja; Dittrich, Birger","Synthetic Access to a Hydrocarbon-Soluble Trifluorinated Ge(II) Compound and its Sn(II) Congener.","Journal of the American Chemical Society","2014","136","4","1292","1295","10.1021/ja412151e","","","0.6199","synchrotron","","0.0377","0.0362","","","0.098","0.0993","","","","","","1.072","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120478","9.3477","0.0011","10.5608","0.0012","17.8086","0.0019","90","","90","","90","","1758.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 F3 Ge N2 -","- C15 H25 F3 Ge N2 -","- C60 H100 F12 Ge4 N8 -","4","1","","Samuel, Prinson P.; Li, Yan; Roesky, Herbert W.; Chevelkov, Veniamin; Lange, Adam; Burkhardt, Anja; Dittrich, Birger","Synthetic Access to a Hydrocarbon-Soluble Trifluorinated Ge(II) Compound and its Sn(II) Congener.","Journal of the American Chemical Society","2014","136","4","1292","1295","10.1021/ja412151e","","","0.71073","MoKα","","0.036","0.0281","","","0.0566","0.0587","","","","","","1.041","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120479","12.0364","0.0005","12.1697","0.0006","15.7969","0.0007","81.811","0.002","74.339","0.002","86.193","0.002","2204.35","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","SGE6-192","hartwig20","","- C55 H47 Cl Ni O2 P2 -","- C55 H47 Cl Ni O2 P2 -","- C110 H94 Cl2 Ni2 O4 P4 -","2","1","","Ge, Shaozhong; Green, Rebecca A.; Hartwig, John F.","Controlling First-Row Catalysts: Amination of Aryl and Heteroaryl Chlorides and Bromides with Primary Aliphatic Amines Catalyzed by a BINAP-Ligated Single-Component Ni(0) Complex.","Journal of the American Chemical Society","2014","136","4","1617","1627","10.1021/ja411911s","","","1.54178","CuKα","","0.0718","0.0633","","","0.1855","0.1959","","","","","","1.042","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120480","24.075","0.002","24.075","0.002","10.7146","0.0012","90","","90","","120","","5378.2","0.9","100","2","100","","","","","","","","","4","P 3","P 3","143","","","","- C63.67 H79.33 Cl7.33 N12 -","- C60 H72 N12 -","- C180 H216 N36 -","3","1","","Hasell, Tom; Culshaw, Jamie L.; Chong, Samantha Y.; Schmidtmann, Marc; Little, Marc A.; Jelfs, Kim E.; Pyzer-Knapp, Edward O; Shepherd, Hilary; Adams, Dave J.; Day, Graeme M.; Cooper, Andrew I.","Controlling the crystallization of porous organic cages: molecular analogs of isoreticular frameworks using shape-specific directing solvents.","Journal of the American Chemical Society","2014","136","4","1438","1448","10.1021/ja409594s","","x-ray","0.71073","MoKα","","0.0859","0.0598","","","0.1688","0.1882","","","","","","0.946","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120481","14.1424","0.0001","26.0428","0.0002","14.2684","0.0001","90","","107.754","0.001","90","","5004.88","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[K(2,2,2-crypt)]3[Ru@Ge12]*4py","","- C74 H128 Ge12 K3 N10 O18 Ru -","- C74 H128 Ge12 K3 N10 O18 Ru -","- C148 H256 Ge24 K6 N20 O36 Ru2 -","2","1","","Espinoza-Quintero, Gabriela; Duckworth, Jack C. A.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Synthesis and characterization of [ru@ge12](3-): an endohedral 3-connected cluster.","Journal of the American Chemical Society","2014","136","4","1210","1213","10.1021/ja411280v","","","1.5418","CuKα","","0.0615","0.0574","","","0.1552","0.1621","","","","","","1.022","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120482","11.005","0.0003","9.2447","0.0003","34.6234","0.0008","90","","90","","90","","3522.51","0.17","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H25 N3 O5 Pt -","- C17 H25 N3 O5 Pt -","- C136 H200 N24 O40 Pt8 -","8","1","","Proetto, Maria T.; Rush, Anthony M.; Chien, Miao-Ping; Abellan Baeza, Patricia; Patterson, Joseph P.; Thompson, Matthew P.; Olson, Norman H.; Moore, Curtis E.; Rheingold, Arnold L.; Andolina, Christopher; Millstone, Jill; Howell, Stephen B.; Browning, Nigel D.; Evans, James E.; Gianneschi, Nathan C.","Dynamics of soft nanomaterials captured by transmission electron microscopy in liquid water.","Journal of the American Chemical Society","2014","136","4","1162","1165","10.1021/ja408513m","","x-ray","1.54178","CuKα","K-L~3~","0.0946","0.0745","","","0.1651","0.1731","","","","","","1.269","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120483","13.7184","0.0005","19.4893","0.0007","14.7566","0.0005","90","","101.087","0.002","90","","3871.7","0.2","147","2","147","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H55 Br2 Fe N O3 P2 -","- C37 H55 Br2 Fe N O3 P2 -","- C148 H220 Br8 Fe4 N4 O12 P8 -","4","1","","Lagaditis, Paraskevi O.; Sues, Peter E.; Sonnenberg, Jessica F.; Wan, Kai Yang; Lough, Alan J.; Morris, Robert H.","Iron(II) Complexes Containing Unsymmetrical P-N-P' Pincer Ligands for the Catalytic Asymmetric Hydrogenation of Ketones and Imines.","Journal of the American Chemical Society","2014","136","4","1367","1380","10.1021/ja4082233","","","1.54178","CuKα","","0.0424","0.034","","","0.0847","0.0894","","","","","","1.026","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120484","11.0699","0.0003","14.9971","0.0005","15.9716","0.0005","88.297","0.0014","75.364","0.0016","68.451","0.0018","2380.32","0.13","147","1","147","1","","","","","","","","8","P -1","-P 1","2","","","","- C54 H59 B Br Fe N O2 P2 -","- C54 H59 B Br Fe N O2 P2 -","- C108 H118 B2 Br2 Fe2 N2 O4 P4 -","2","1","","Lagaditis, Paraskevi O.; Sues, Peter E.; Sonnenberg, Jessica F.; Wan, Kai Yang; Lough, Alan J.; Morris, Robert H.","Iron(II) Complexes Containing Unsymmetrical P-N-P' Pincer Ligands for the Catalytic Asymmetric Hydrogenation of Ketones and Imines.","Journal of the American Chemical Society","2014","136","4","1367","1380","10.1021/ja4082233","","","0.71073","MoKα","","0.118","0.0627","","","0.1364","0.1614","","","","","","1.03","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120485","11.3747","0.0006","13.0802","0.0008","18.9709","0.0011","90","","101.385","0.001","90","","2767","0.3","150","1","150","1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C24 H31 B Br F4 Fe N O2 P2 -","- C24 H31 B Br F4 Fe N O2 P2 -","- C96 H124 B4 Br4 F16 Fe4 N4 O8 P8 -","4","1","","Lagaditis, Paraskevi O.; Sues, Peter E.; Sonnenberg, Jessica F.; Wan, Kai Yang; Lough, Alan J.; Morris, Robert H.","Iron(II) Complexes Containing Unsymmetrical P-N-P' Pincer Ligands for the Catalytic Asymmetric Hydrogenation of Ketones and Imines.","Journal of the American Chemical Society","2014","136","4","1367","1380","10.1021/ja4082233","","","0.71073","MoKα","","0.0665","0.0474","","","0.1199","0.1354","","","","","","1.19","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120486","16.5256","0.001","7.4552","0.0005","20.1351","0.0013","90","","105.486","0.004","90","","2390.6","0.3","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Fe N O2 P2 -","- C24 H33 Fe N O2 P2 -","- C96 H132 Fe4 N4 O8 P8 -","4","1","","Lagaditis, Paraskevi O.; Sues, Peter E.; Sonnenberg, Jessica F.; Wan, Kai Yang; Lough, Alan J.; Morris, Robert H.","Iron(II) Complexes Containing Unsymmetrical P-N-P' Pincer Ligands for the Catalytic Asymmetric Hydrogenation of Ketones and Imines.","Journal of the American Chemical Society","2014","136","4","1367","1380","10.1021/ja4082233","","","1.54178","CuKα","","0.0362","0.0322","","","0.0808","0.0836","","","","","","1.043","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120487","15.2379","0.0007","17.9143","0.001","18.2681","0.0009","112.259","0.002","91.536","0.003","113.336","0.003","4144.8","0.4","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H78 Br6 Fe3 N2 O4 P4 -","- C60 H78 Br6 Fe3 N2 O4 P4 -","- C120 H156 Br12 Fe6 N4 O8 P8 -","2","1","","Lagaditis, Paraskevi O.; Sues, Peter E.; Sonnenberg, Jessica F.; Wan, Kai Yang; Lough, Alan J.; Morris, Robert H.","Iron(II) Complexes Containing Unsymmetrical P-N-P' Pincer Ligands for the Catalytic Asymmetric Hydrogenation of Ketones and Imines.","Journal of the American Chemical Society","2014","136","4","1367","1380","10.1021/ja4082233","","","0.71073","MoKα","","0.1466","0.0911","","","0.2323","0.2551","","","","","","0.999","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120488","32.6975","0.0007","10.0081","0.0003","24.9344","0.0008","90","","114.622","0.002","90","","7417.6","0.4","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C320 H400 N48 O32 -","16","2","","Chang, Kai-Chi; Minami, Tsuyoshi; Koutnik, Petr; Savechenkov, Pavel Y.; Liu, Yuanli; Anzenbacher, Jr, Pavel","Anion Binding Modes in meso-Substituted Hexapyrrolic Calix[4]pyrrole Isomers.","Journal of the American Chemical Society","2014","136","4","1520","1525","10.1021/ja411391c","","","0.7107","MoKα","","0.1219","0.0557","","","0.1056","0.126","","","","","","1.018","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120489","10.287","0.0013","11.15","0.001","13.04","0.0017","111.592","0.005","92.851","0.004","113.076","0.004","1246.1","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 N2 O2 -","- C26 H35 N3 O3 -","- C52 H70 N6 O6 -","2","1","","Chang, Kai-Chi; Minami, Tsuyoshi; Koutnik, Petr; Savechenkov, Pavel Y.; Liu, Yuanli; Anzenbacher, Jr, Pavel","Anion Binding Modes in meso-Substituted Hexapyrrolic Calix[4]pyrrole Isomers.","Journal of the American Chemical Society","2014","136","4","1520","1525","10.1021/ja411391c","","","0.7107","MoKα","","0.1829","0.1123","","","0.1998","0.2212","","","","","","1.484","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120490","10.459","0.0002","14.643","0.0004","18.323","0.0005","103.891","0.002","106.045","0.002","107.136","0.001","2414.07","0.12","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H36 N6 O6 -","- C50 H66 N6 O6 -","- C100 H132 N12 O12 -","2","1","","Chang, Kai-Chi; Minami, Tsuyoshi; Koutnik, Petr; Savechenkov, Pavel Y.; Liu, Yuanli; Anzenbacher, Jr, Pavel","Anion Binding Modes in meso-Substituted Hexapyrrolic Calix[4]pyrrole Isomers.","Journal of the American Chemical Society","2014","136","4","1520","1525","10.1021/ja411391c","","","0.7107","MoKα","","0.127","0.071","","","0.1239","0.134","","","","","","1.624","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120491","8.4268","0.0008","19.2101","0.0019","14.5611","0.0014","90","","90","","90","","2357.1","0.4","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- B9 Cs3 O21 Zn6 -","- B9 Cs3 O21 Zn6 -","- B36 Cs12 O84 Zn24 -","4","0.5","","Yu, Hongwei; Wu, Hongping; Pan, Shilie; Yang, Zhihua; Hou, Xueling; Su, Xin; Jing, Qun; Poeppelmeier, Kenneth R.; Rondinelli, James M.","Cs3Zn6B9O21: A Chemically Benign Member of the KBBF Family Exhibiting the Largest Second Harmonic Generation Response.","Journal of the American Chemical Society","2014","136","4","1264","1267","10.1021/ja4117389","","","0.71073","MoKα","","0.0245","0.0214","","","0.0445","0.0457","","","","","","1.006","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120492","10.6188","0.0007","21.8666","0.0015","21.4263","0.0013","90","","95.593","0.002","90","","4951.4","0.6","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H72 Li4 N4 O4 -","- C52 H72 Li4 N4 O4 -","- C208 H288 Li16 N16 O16 -","4","2","","Bruneau, Angela M.; Liou, Lara; Collum, David B.","Solution structures of lithium amino alkoxides used in highly enantioselective 1,2-additions.","Journal of the American Chemical Society","2014","136","7","2885","2891","10.1021/ja412210d","","","0.71073","MoKα","","0.0491","0.0339","","","0.0738","0.081","","","","","","1.051","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120493","10.006","0.0006","12.42","0.0006","15.542","0.0012","90","","106.763","0.003","90","","1849.4","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 Cl N O2 Rh -","- C19 H27 Cl N O2 Rh -","- C76 H108 Cl4 N4 O8 Rh4 -","4","1","","Neely, Jamie M.; Rovis, Tomislav","Rh(III)-Catalyzed Decarboxylative Coupling of Acrylic Acids with Unsaturated Oxime Esters: Carboxylic Acids Serve as Traceless Activators.","Journal of the American Chemical Society","2014","136","7","2735","2738","10.1021/ja412444d","","","0.71073","MoKα","","0.0282","0.0201","","","0.0439","0.0477","","","","","","1.056","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120494","10.152","0.002","7.7688","0.0017","38.639","0.008","90","","92.863","0.003","90","","3043.6","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N4 O3 -","- C15.9999 H17.9997 N4 O2.99995 -","- C127.999 H143.998 N32 O23.9996 -","8","2","","Nath, Naba K.; Pejov, Ljupčo; Nichols, Shane M.; Hu, Chunhua; Saleh, Na'il; Kahr, Bart; Naumov, Panče","Model for photoinduced bending of slender molecular crystals.","Journal of the American Chemical Society","2014","136","7","2757","2766","10.1021/ja4101497","","","0.71073","MoKα","","0.1166","0.0706","","","0.1641","0.1756","","","","","","1.108","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120495","6.125","0.002","7.74","0.003","32.799","0.011","90","","90","","90","","1554.9","0.9","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,7-diphenyl-3,6-dihydropyrrolo[3,2-e]indole","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Wei, Ye; Deb, Indubhusan; Yoshikai, Naohiko","Correction to palladium-catalyzed aerobic oxidative cyclization of N-aryl imines: indole synthesis from anilines and ketones.","Journal of the American Chemical Society","2014","136","7","2928","","10.1021/ja500182v","","","0.71073","MoKα","","0.1006","0.0646","","","0.1439","0.178","","","","","","1.021","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120496","25.9999","0.0009","42.8479","0.0014","18.1346","0.0013","90","","105.488","0.001","90","","19469.1","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H90 B20 Ir4 N4 O11 -","- C56 H84 B20 Ir4 N4 O11 -","- C448 H672 B160 Ir32 N32 O88 -","8","1","","Yao, Zi-Jian; Yu, Wei-Bin; Lin, Yue-Jian; Huang, Sheng-Li; Li, Zhen-Hua; Jin, Guo-Xin","Iridium-mediated regioselective B-h/c-h activation of carborane cage: a facile synthetic route to metallacycles with a carborane backbone.","Journal of the American Chemical Society","2014","136","7","2825","2832","10.1021/ja4115665","","","1.54178","CuKα","","0.0896","0.061","","","0.1556","0.1699","","","","","","0.917","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120497","53.686","0.01","11.179","0.002","38.356","0.007","90","","97.244","0.004","90","","22836","7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H59.6 B10 Cl1.8 Ir2 N O4.8 -","- C28.4 H48.8 B10 Cl1.8 Ir2 N0.4 O4.8 -","- C568 H976 B200 Cl36 Ir40 N8 O96 -","20","2.5","","Yao, Zi-Jian; Yu, Wei-Bin; Lin, Yue-Jian; Huang, Sheng-Li; Li, Zhen-Hua; Jin, Guo-Xin","Iridium-mediated regioselective B-h/c-h activation of carborane cage: a facile synthetic route to metallacycles with a carborane backbone.","Journal of the American Chemical Society","2014","136","7","2825","2832","10.1021/ja4115665","","","0.71073","MoKα","","0.1205","0.0979","","","0.2288","0.2404","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120498","9.0176","0.0006","26.3822","0.0013","17.607","0.001","90","","104.703","0.004","90","","4051.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H84 B20 Ir4 N4 O16 -","- C62 H84 B20 Ir4 N4 O16 -","- C124 H168 B40 Ir8 N8 O32 -","2","0.5","","Yao, Zi-Jian; Yu, Wei-Bin; Lin, Yue-Jian; Huang, Sheng-Li; Li, Zhen-Hua; Jin, Guo-Xin","Iridium-mediated regioselective B-h/c-h activation of carborane cage: a facile synthetic route to metallacycles with a carborane backbone.","Journal of the American Chemical Society","2014","136","7","2825","2832","10.1021/ja4115665","","","1.54178","CuKα","","0.1562","0.1081","","","0.2692","0.3128","","","","","","1.197","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120499","8.3463","0.0002","28.2369","0.0006","10.1409","0.0002","90","","113.854","0.001","90","","2185.79","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 B10 Ir N O3 -","- C15 H27 B10 Ir N O3 -","- C60 H108 B40 Ir4 N4 O12 -","4","1","","Yao, Zi-Jian; Yu, Wei-Bin; Lin, Yue-Jian; Huang, Sheng-Li; Li, Zhen-Hua; Jin, Guo-Xin","Iridium-mediated regioselective B-h/c-h activation of carborane cage: a facile synthetic route to metallacycles with a carborane backbone.","Journal of the American Chemical Society","2014","136","7","2825","2832","10.1021/ja4115665","","","1.54178","CuKα","","0.0442","0.0385","","","0.0986","0.1096","","","","","","1.164","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120500","8.8822","0.0006","10.1868","0.0007","19.2787","0.0013","104.059","0.001","100.408","0.001","91.12","0.001","1660.6","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H102 B20 Ir2 N2 O10 -","- C50 H98 B20 Ir2 N2 O10 -","- C50 H98 B20 Ir2 N2 O10 -","1","0.5","","Yao, Zi-Jian; Yu, Wei-Bin; Lin, Yue-Jian; Huang, Sheng-Li; Li, Zhen-Hua; Jin, Guo-Xin","Iridium-mediated regioselective B-h/c-h activation of carborane cage: a facile synthetic route to metallacycles with a carborane backbone.","Journal of the American Chemical Society","2014","136","7","2825","2832","10.1021/ja4115665","","","0.71073","MoKα","","0.0563","0.0445","","","0.1336","0.1788","","","","","","1.226","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120501","12.7152","0.0003","17.1863","0.0003","17.3225","0.0004","89.9635","0.0017","81.5135","0.0019","81.8096","0.0018","3705","0.14","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H37 B2 F8 Fe N7 O S -","- C34 H37 B2.0005 F8.002 Fe N7 O S -","- C136 H148 B8.002 F32.008 Fe4 N28 O4 S4 -","4","2","","Widger, Leland R.; Davies, Casey G.; Yang, Tzuhsiung; Siegler, Maxime A.; Troeppner, Oliver; Jameson, Guy N. L.; Ivanović-Burmazović, Ivana; Goldberg, David P.","Dramatically Accelerated Selective Oxygen-Atom Transfer by a Nonheme Iron(IV)-Oxo Complex: Tuning of the First and Second Coordination Spheres.","Journal of the American Chemical Society","2014","136","7","2699","2702","10.1021/ja410240c","","","0.71073","MoKα","","0.0552","0.0386","","","0.0995","0.1072","","","","","","1.056","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120502","10.1678","0.0003","11.9592","0.0003","15.8456","0.0003","92.0341","0.0018","96.166","0.002","108.703","0.002","1809.49","0.08","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H71 B4 F16 Fe2 N13 O4 S2 -","- C66 H71 B4 F16 Fe2 N13 O4 S2 -","- C66 H71 B4 F16 Fe2 N13 O4 S2 -","1","0.5","","Widger, Leland R.; Davies, Casey G.; Yang, Tzuhsiung; Siegler, Maxime A.; Troeppner, Oliver; Jameson, Guy N. L.; Ivanović-Burmazović, Ivana; Goldberg, David P.","Dramatically Accelerated Selective Oxygen-Atom Transfer by a Nonheme Iron(IV)-Oxo Complex: Tuning of the First and Second Coordination Spheres.","Journal of the American Chemical Society","2014","136","7","2699","2702","10.1021/ja410240c","","","0.71073","MoKα","","0.0543","0.0475","","","0.1232","0.1271","","","","","","1.05","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120503","25.4707","0.0003","9.98637","0.00013","25.8674","0.0003","90","","94.8579","0.0012","90","","6555.99","0.14","110","2","110","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 B Cl F4 Fe N6 O S -","- C32 H34 B Cl F4 Fe N6 O S -","- C256 H272 B8 Cl8 F32 Fe8 N48 O8 S8 -","8","1","","Widger, Leland R.; Davies, Casey G.; Yang, Tzuhsiung; Siegler, Maxime A.; Troeppner, Oliver; Jameson, Guy N. L.; Ivanović-Burmazović, Ivana; Goldberg, David P.","Dramatically Accelerated Selective Oxygen-Atom Transfer by a Nonheme Iron(IV)-Oxo Complex: Tuning of the First and Second Coordination Spheres.","Journal of the American Chemical Society","2014","136","7","2699","2702","10.1021/ja410240c","","","0.71073","MoKα","","0.0418","0.0317","","","0.0777","0.0817","","","","","","1.055","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120504","13.211","0.0031","15.162","0.004","3.3733","0.0006","90","","90","","90","","675.7","0.3","","","293","2","","","","","","","","5","P b n 21","P 2c -2ab","33","HBBO","","","- C6 H N2 O S4 -","- C6 H N2 O S4 -","- C24 H4 N8 O4 S16 -","4","1","","Wong, Joanne W. L.; Mailman, Aaron; Lekin, Kristina; Winter, Stephen M.; Yong, Wenjun; Zhao, Jianbao; Garimella, Subrahmanyam V.; Tse, John S.; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Borondics, Ferenc; Oakley, Richard T.","Pressure induced phase transitions and metallization of a neutral radical conductor.","Journal of the American Chemical Society","2014","136","3","1070","1081","10.1021/ja411057x","powder diffraction","x-ray","0.41337","synchrotron","","","","","","","","0.30365","","2.57","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120505","12.8799","0.0024","14.888","0.004","3.2737","0.0005","90","","90","","90","","627.8","0.2","","","293","2","","","","","","","","5","P b n 21","P 2c -2ab","33","HBBO","","","- C6 H N2 O S4 -","- C6 H N2 O S4 -","- C24 H4 N8 O4 S16 -","4","1","","Wong, Joanne W. L.; Mailman, Aaron; Lekin, Kristina; Winter, Stephen M.; Yong, Wenjun; Zhao, Jianbao; Garimella, Subrahmanyam V.; Tse, John S.; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Borondics, Ferenc; Oakley, Richard T.","Pressure induced phase transitions and metallization of a neutral radical conductor.","Journal of the American Chemical Society","2014","136","3","1070","1081","10.1021/ja411057x","powder diffraction","x-ray","0.41337","synchrotron","","","","","","","","0.71681","","2.01","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120506","13.001","0.0021","14.9086","0.003","2.99495","0.00029","90","","90","","90","","580.5","0.16","293","2","293","2","","","","","","","","5","P b n 21","P 2c -2ab","33","HBBO","","","- C6 H N2 O S4 -","- C6 H N2 O S4 -","- C24 H4 N8 O4 S16 -","4","1","","Wong, Joanne W. L.; Mailman, Aaron; Lekin, Kristina; Winter, Stephen M.; Yong, Wenjun; Zhao, Jianbao; Garimella, Subrahmanyam V.; Tse, John S.; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Borondics, Ferenc; Oakley, Richard T.","Pressure induced phase transitions and metallization of a neutral radical conductor.","Journal of the American Chemical Society","2014","136","3","1070","1081","10.1021/ja411057x","powder diffraction","x-ray","0.41337","synchrotron","","","","","","","","0.28205","","2.07","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120507","13.0632","0.0024","14.9449","0.0033","3.02303","0.00028","90","","90","","90","","590.18","0.18","293","2","293","2","","","","","","","","5","P b n 21","P 2c -2ab","33","HBBO","","","- C6 H N2 O S4 -","- C6 H N2 O S4 -","- C24 H4 N8 O4 S16 -","4","1","","Wong, Joanne W. L.; Mailman, Aaron; Lekin, Kristina; Winter, Stephen M.; Yong, Wenjun; Zhao, Jianbao; Garimella, Subrahmanyam V.; Tse, John S.; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Borondics, Ferenc; Oakley, Richard T.","Pressure induced phase transitions and metallization of a neutral radical conductor.","Journal of the American Chemical Society","2014","136","3","1070","1081","10.1021/ja411057x","powder diffraction","x-ray","0.41337","","","","","","","","","0.46085","","1.99","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120508","12.9187","0.0019","14.8422","0.0023","2.96191","0.00026","90","","90","","90","","567.92","0.13","293","2","293","2","","","","","","","","5","P b n 21","P 2c -2ab","33","HBBO","","","- C6 H N2 O S4 -","- C6 H N2 O S4 -","- C24 H4 N8 O4 S16 -","4","1","","Wong, Joanne W. L.; Mailman, Aaron; Lekin, Kristina; Winter, Stephen M.; Yong, Wenjun; Zhao, Jianbao; Garimella, Subrahmanyam V.; Tse, John S.; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Borondics, Ferenc; Oakley, Richard T.","Pressure induced phase transitions and metallization of a neutral radical conductor.","Journal of the American Chemical Society","2014","136","3","1070","1081","10.1021/ja411057x","powder diffraction","x-ray","0.41337","synchrotron","","","","","","","","0.38714","","1.83","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120509","26.4363","0.0022","29.5785","0.0031","3.67284","0.00016","90","","90","","90","","2872","0.4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","HBBO","","","- C6 H N2 O S4 -","- C6 H N2 O S4 -","- C96 H16 N32 O16 S64 -","16","1","","Wong, Joanne W. L.; Mailman, Aaron; Lekin, Kristina; Winter, Stephen M.; Yong, Wenjun; Zhao, Jianbao; Garimella, Subrahmanyam V.; Tse, John S.; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Borondics, Ferenc; Oakley, Richard T.","Pressure induced phase transitions and metallization of a neutral radical conductor.","Journal of the American Chemical Society","2014","136","3","1070","1081","10.1021/ja411057x","powder diffraction","x-ray","0.41337","synchrotron","","","","","","","","0.21687","","1.4","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120510","10.9396","0.0002","25.0618","0.0005","11.5197","0.0002","90","","101.477","0.0007","90","","3095.16","0.1","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N2 O3 -","- C34 H2 N2 O3 -","- C136 H8 N8 O12 -","4","1","","Aihara, Yoshinori; Chatani, Naoto","Nickel-Catalyzed Direct Arylation of C(sp(3))-H Bonds in Aliphatic Amides via Bidentate-Chelation Assistance.","Journal of the American Chemical Society","2014","136","3","898","901","10.1021/ja411715v","","","1.54187","CuKα","","","0.1038","","","","0.3605","","","","","","1.764","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120511","9.5916","0.0004","11.3171","0.0005","18.2254","0.0008","90","","90","","90","","1978.35","0.15","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O3 Si -","- C21 H32 O3 Si -","- C84 H128 O12 Si4 -","4","1","","Shvartsbart, Artem; Smith, 3rd, Amos B","Total synthesis of (-)-calyciphylline N.","Journal of the American Chemical Society","2014","136","3","870","873","10.1021/ja411539w","","","0.71073","MoKα","","0.0288","0.0278","","","0.0756","0.0762","","","","","","1.051","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120512","12.5154","0.0008","15.322","0.001","20.9097","0.001","90","","92.849","0.003","90","","4004.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CP3HFeBr","","","- C43 H61 Br Fe P3 -","- C43 H61 Br Fe P3 -","- C172 H244 Br4 Fe4 P12 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.188","0.0641","","","0.1145","0.1587","","","","","","0.963","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120513","10.8051","0.0003","15.4905","0.0005","20.738","0.0007","90","","90","","90","","3471.05","0.19","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CP3FeN2H","","","- C37 H55 Fe N2 P3 -","- C37 H55 Fe N2 P3 -","- C148 H220 Fe4 N8 P12 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.0306","0.0304","","","0.0776","0.0777","","","","","","1.059","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120514","19.4069","0.0005","19.4069","0.0005","47.9751","0.0017","90","","90","","120","","15648","0.8","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","CP3FeN2","","","- C37 H54 Fe N2 P3 -","- C37 H54 Fe N2 P3 -","- C666 H972 Fe18 N36 P54 -","18","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.0655","0.0624","","","0.1624","0.1672","","","","","","1.106","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120515","10.9229","0.0004","26.9376","0.001","17.6054","0.0007","90","","94.663","0.002","90","","5163","0.3","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","[CP3FeN2][K(Et2O)3]","","","- C49 H84 Fe K N2 O3 P3 -","- C49 H84 Fe K N2 O3 P3 -","- C196 H336 Fe4 K4 N8 O12 P12 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.0755","0.0438","","","0.0843","0.0949","","","","","","1.008","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120516","19.7846","0.0011","25.88","0.0014","26.6463","0.0013","90","","90","","90","","13643.6","1.3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","[CP3HFeN2]BArF","","","- C69 H66 B Cl0.12 F24 Fe N1.77 P3 -","- C69 H67 B Cl0.114 F24 Fe N1.772 P3 -","- C552 H536 B8 Cl0.912 F192 Fe8 N14.176 P24 -","8","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.1307","0.0832","","","0.2142","0.245","","","","","","1.021","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120517","39.338","0.002","12.186","0.0007","18.667","0.0011","90","","111.327","0.002","90","","8335.7","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","CP3HFeI2","","","- C40.5 H59 Fe I2 P3 -","- C40.5 H59 Fe I2 P3 -","- C324 H472 Fe8 I16 P24 -","8","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.0397","0.0256","","","0.0462","0.0501","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120518","8.5123","0.0004","9.2231","0.0004","11.4204","0.0004","87.226","0.002","73.801","0.001","73.29","0.002","824.16","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H11 F6 N3 -","- C18 H11 F6 N3 -","- C36 H22 F12 N6 -","2","1","","Kim, Hyun Jin; Ajitha, Manjaly J.; Lee, Yongjae; Ryu, Jaeyune; Kim, Jin; Lee, Yunho; Jung, Yousung; Chang, Sukbok","Hydrogen-Bond-Assisted Controlled C-H Functionalization via Adaptive Recognition of a Purine Directing Group.","Journal of the American Chemical Society","2014","136","3","1132","1140","10.1021/ja4118472","","","0.71073","MoKα","","0.0932","0.0538","","","0.1368","0.1603","","","","","","1.022","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120519","13.2892","0.0012","18.1896","0.0017","18.2801","0.0017","90","","90","","90","","4418.8","0.7","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H28 Cl N4 Rh -","- C24 H28 Cl N4 Rh -","- C192 H224 Cl8 N32 Rh8 -","8","1","","Kim, Hyun Jin; Ajitha, Manjaly J.; Lee, Yongjae; Ryu, Jaeyune; Kim, Jin; Lee, Yunho; Jung, Yousung; Chang, Sukbok","Hydrogen-Bond-Assisted Controlled C-H Functionalization via Adaptive Recognition of a Purine Directing Group.","Journal of the American Chemical Society","2014","136","3","1132","1140","10.1021/ja4118472","","","0.71073","MoKα","","0.0759","0.0406","","","0.0913","0.1254","","","","","","1.177","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120520","11.3172","0.0004","11.5725","0.0004","13.2555","0.0005","93.226","0.002","106.108","0.002","118.872","0.002","1422.74","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H18 F12 N6 -","- C29 H18 F12 N6 -","- C58 H36 F24 N12 -","2","1","","Kim, Hyun Jin; Ajitha, Manjaly J.; Lee, Yongjae; Ryu, Jaeyune; Kim, Jin; Lee, Yunho; Jung, Yousung; Chang, Sukbok","Hydrogen-Bond-Assisted Controlled C-H Functionalization via Adaptive Recognition of a Purine Directing Group.","Journal of the American Chemical Society","2014","136","3","1132","1140","10.1021/ja4118472","","","0.71073","MoKα","","0.1333","0.0512","","","0.1157","0.1587","","","","","","1.027","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120521","9.0095","0.0003","10.2547","0.0003","11.5131","0.0004","92.175","0.002","110.319","0.002","102.609","0.002","965.9","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 F6 N3 -","- C21 H17 F6 N3 -","- C42 H34 F12 N6 -","2","1","","Kim, Hyun Jin; Ajitha, Manjaly J.; Lee, Yongjae; Ryu, Jaeyune; Kim, Jin; Lee, Yunho; Jung, Yousung; Chang, Sukbok","Hydrogen-Bond-Assisted Controlled C-H Functionalization via Adaptive Recognition of a Purine Directing Group.","Journal of the American Chemical Society","2014","136","3","1132","1140","10.1021/ja4118472","","","0.71073","MoKα","","0.0893","0.0591","","","0.1799","0.2112","","","","","","1.056","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120522","12.439","0.002","10.0614","0.0017","14.778","0.002","90","","104.288","0.004","90","","1792.3","0.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N6 O2 -","- C20 H18 N6 O2 -","- C80 H72 N24 O8 -","4","1","","Kim, Hyun Jin; Ajitha, Manjaly J.; Lee, Yongjae; Ryu, Jaeyune; Kim, Jin; Lee, Yunho; Jung, Yousung; Chang, Sukbok","Hydrogen-Bond-Assisted Controlled C-H Functionalization via Adaptive Recognition of a Purine Directing Group.","Journal of the American Chemical Society","2014","136","3","1132","1140","10.1021/ja4118472","","","0.71073","MoKα","","0.1122","0.0485","","","0.1117","0.1583","","","","","","0.863","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120523","12.1653","0.0009","10.6931","0.0008","25.5308","0.0019","90","","107.966","0.004","90","","3159.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","nd367","","","- C32 H50 B Ga N2 O -","- C32 H50 B Ga N2 O -","- C128 H200 B4 Ga4 N8 O4 -","4","1","","Dettenrieder, Nicole; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","A dimethylgallium boryl complex and its methyllithium addition compound.","Journal of the American Chemical Society","2014","136","3","886","889","10.1021/ja4117318","","","0.71073","MoKα","","0.0317","0.0255","","","0.0658","0.069","","","","","","1.029","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120524","19.5718","0.001","18.8267","0.0011","20.2279","0.001","90","","116.763","0.002","90","","6655","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C134 H198 B4 Ga4 Li4 N8 -","- C134 H198 B4 Ga4 Li4 N8 -","- C268 H396 B8 Ga8 Li8 N16 -","2","0.5","","Dettenrieder, Nicole; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","A dimethylgallium boryl complex and its methyllithium addition compound.","Journal of the American Chemical Society","2014","136","3","886","889","10.1021/ja4117318","","","0.71073","MoKα","","0.0741","0.042","","","0.0816","0.0878","","","","","","0.942","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120525","18.7239","0.0006","14.7354","0.0005","20.3319","0.0008","90","","90","","90","","5609.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","nd190","","","- C28 H42 B Ga N2 -","- C28 H42 B Ga N2 -","- C224 H336 B8 Ga8 N16 -","8","1","","Dettenrieder, Nicole; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","A dimethylgallium boryl complex and its methyllithium addition compound.","Journal of the American Chemical Society","2014","136","3","886","889","10.1021/ja4117318","","","0.71073","MoKα","","0.0593","0.0475","","","0.099","0.1031","","","","","","1.22","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120526","10.3966","0.0008","6.3555","0.0004","21.0408","0.0016","90","","97.168","0.002","90","","1379.42","0.17","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","1","","Correa, Arkaitz; León, Thierry; Martin, Ruben","Ni-Catalyzed Carboxylation of C(sp(2))- and C(sp(3))-O Bonds with CO2.","Journal of the American Chemical Society","2014","136","3","1062","1069","10.1021/ja410883p","","","0.71073","MoKα","","0.0706","0.0606","","","0.1747","0.1842","","","","","","1.074","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120527","16.422","0.002","12.2868","0.0016","35.081","0.005","90","","93.898","0.008","90","","7062.1","1.6","91","2","91","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59.5 H74.5 B4 F16 Fe2 N17 O0.5 -","- C59.5 H74.5 B4 F16 Fe2 N17 O0.5 -","- C238 H298 B16 F64 Fe8 N68 O2 -","4","0.5","","Kulmaczewski, Rafal; Olguín, Juan; Kitchen, Jonathan A.; Feltham, Humphrey L. C.; Jameson, Guy N. L.; Tallon, Jeffery L.; Brooker, Sally","Remarkable Scan Rate Dependence for a Highly Constrained Dinuclear Iron(II) Spin Crossover Complex with a Wide Thermal Hysteresis Loop.","Journal of the American Chemical Society","2014","136","3","878","881","10.1021/ja411563x","","","0.71073","MoKα","","0.1724","0.1128","","","0.2793","0.3093","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120528","3.9163","0.0008","3.8953","0.0007","10.311","0.003","90","","90.788","0.008","90","","157.28","0.06","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- As2 Ca0.73 Fe Pr0.27 -","- As2 Ca0.73 Fe Pr0.2702 -","- As4 Ca1.46 Fe2 Pr0.5404 -","2","0.5","","Yakita, Hiroyuki; Ogino, Hiraku; Okada, Tomoyuki; Yamamoto, Akiyasu; Kishio, Kohji; Tohei, Tetsuya; Ikuhara, Yuichi; Gotoh, Yoshito; Fujihisa, Hiroshi; Kataoka, Kunimitsu; Eisaki, Hiroshi; Shimoyama, Jun-Ichi","A New Layered Iron Arsenide Superconductor: (Ca,Pr)FeAs2.","Journal of the American Chemical Society","2014","136","3","846","849","10.1021/ja410845b","","x-ray","0.71069","MoKα","","","0.116","","","0.157","","","","","6.15","6.15","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120529","34.7075","0.0009","11.0418","0.0003","15.8058","0.0004","90","","99.887","0.002","90","","5967.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Al Cl3 N4 -","- C30 H36 Al Cl3 N4 -","- C240 H288 Al8 Cl24 N32 -","8","1","","Chen, Wen-Ching; Lee, Ching-Yu; Lin, Bo-Chao; Hsu, Yu-Chen; Shen, Jiun-Shian; Hsu, Chao-Ping; Yap, Glenn P. A.; Ong, Tiow-Gan","The elusive three-coordinate dicationic hydrido boron complex.","Journal of the American Chemical Society","2014","136","3","914","917","10.1021/ja4120852","","","0.71073","MoKα","","0.0917","0.0548","","","0.1379","0.1558","","","","","","1.055","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120530","19.9987","0.0004","10.2339","0.0002","24.9466","0.0005","90","","90","","90","","5105.69","0.18","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C48 H69 B3 Cl4 N8 -","- C48 H69 B3 Cl4 N8 -","- C192 H276 B12 Cl16 N32 -","4","1","","Chen, Wen-Ching; Lee, Ching-Yu; Lin, Bo-Chao; Hsu, Yu-Chen; Shen, Jiun-Shian; Hsu, Chao-Ping; Yap, Glenn P. A.; Ong, Tiow-Gan","The elusive three-coordinate dicationic hydrido boron complex.","Journal of the American Chemical Society","2014","136","3","914","917","10.1021/ja4120852","","","","","","0.105","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120531","10.773","0.002","12.341","0.002","14.004","0.003","95.103","0.003","90.505","0.003","115.432","0.002","1672.5","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H41 Mn N3 P2 -","- C39 H41 Mn N3 P2 -","- C78 H82 Mn2 N6 P4 -","2","1","","Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.","A highly active manganese precatalyst for the hydrosilylation of ketones and esters.","Journal of the American Chemical Society","2014","136","3","882","885","10.1021/ja4116346","","","0.71073","MoKα","","0.0641","0.0462","","","0.1163","0.1286","","","","","","1.014","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120532","16.954","0.0007","12.1473","0.0005","37.0711","0.0015","90","","100.276","0.001","90","","7512.2","0.5","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H45 Cl2 Mn N3 O0.5 P2 -","- C41 H45 Cl2 Mn N3 O0.5 P2 -","- C328 H360 Cl16 Mn8 N24 O4 P16 -","8","1","","Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.","A highly active manganese precatalyst for the hydrosilylation of ketones and esters.","Journal of the American Chemical Society","2014","136","3","882","885","10.1021/ja4116346","","","0.71073","MoKα","","0.0581","0.0443","","","0.0939","0.1","","","","","","1.088","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120533","10.8715","0.0007","10.844","0.0007","20.3372","0.0014","90","","97.983","0.001","90","","2374.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 Ag5 F12 O11 -","- C11 H6 Ag5 F12 O11 -","- C44 H24 Ag20 F48 O44 -","4","1","","Hau, Sam C. K.; Mak, Thomas C. W.","Synthesis of Unstable Carbides Ag2C2n (n = 3, 4) and Characterization via Crystallographic Analysis of Their Double Salts with Silver(I) Trifluoroacetate.","Journal of the American Chemical Society","2014","136","3","902","905","10.1021/ja412095y","","","0.71073","MoKα","","0.0935","0.0761","","","0.1902","0.2052","","","","","","1.055","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120534","15.1244","0.0018","22.255","0.003","26.642","0.003","102.224","0.002","97.582","0.002","108.848","0.002","8097.3","1.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C170 H150 Ag48 F96 O93 S29 -","- C170 H144 Ag48 F96 O93 S29 -","- C170 H144 Ag48 F96 O93 S29 -","1","0.5","","Hau, Sam C. K.; Mak, Thomas C. W.","Synthesis of Unstable Carbides Ag2C2n (n = 3, 4) and Characterization via Crystallographic Analysis of Their Double Salts with Silver(I) Trifluoroacetate.","Journal of the American Chemical Society","2014","136","3","902","905","10.1021/ja412095y","","","0.71073","MoKα","","0.1715","0.1072","","","0.2622","0.3001","","","","","","1.086","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120535","58.133","0.004","11.8141","0.0009","39.378","0.003","90","","129.787","0.001","90","","20782","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Ag15 F30 O30 S10 -","- C60 H60 Ag15 F30 O30 S10 -","- C480 H480 Ag120 F240 O240 S80 -","8","1","","Hau, Sam C. K.; Mak, Thomas C. W.","Synthesis of Unstable Carbides Ag2C2n (n = 3, 4) and Characterization via Crystallographic Analysis of Their Double Salts with Silver(I) Trifluoroacetate.","Journal of the American Chemical Society","2014","136","3","902","905","10.1021/ja412095y","","","0.71073","MoKα","","0.1008","0.0803","","","0.2084","0.2266","","","","","","1.159","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120536","11.0932","0.0005","11.1066","0.0005","23.295","0.0011","84.295","0.002","89.308","0.002","78.559","0.002","2799.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H48 Cl O3 P2 Rh -","- C51 H48 Cl O3 P2 Rh -","- C102 H96 Cl2 O6 P4 Rh2 -","2","1","","Gellrich, Urs; Meißner, Antje; Steffani, Alberto; Kähny, Matthias; Drexler, Hans-Joachim; Heller, Detlef; Plattner, Dietmar A.; Breit, Bernhard","Mechanistic Investigations of the Rhodium Catalyzed Propargylic CH Activation.","Journal of the American Chemical Society","2014","136","3","1097","1104","10.1021/ja411204d","","","0.71073","MoKα","","0.0576","0.0416","","","0.092","0.0964","","","","","","1.043","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120537","8.0828","0.0004","8.9952","0.0006","21.181","0.0011","90","","90","","90","","1539.99","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C72 H76 N4 O8 S4 -","4","1","","Miura, Tomoya; Funakoshi, Yuuta; Murakami, Masahiro","Intramolecular Dearomatizing [3 + 2] Annulation of α-Imino Carbenoids with Aryl Rings Furnishing 3,4-Fused Indole Skeletons.","Journal of the American Chemical Society","2014","136","6","2272","2275","10.1021/ja412663a","","","0.71075","MoKα","","0.029","0.0284","","","0.0886","0.0902","","","","","","0.827","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120538","20.686","0.002","7.1818","0.0008","21.924","0.003","90","","116.008","0.003","90","","2927.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 Au2 Cl2 O2 P2 -","- C28 H34 Au2 Cl2 O2 P2 -","- C112 H136 Au8 Cl8 O8 P8 -","4","1","","Cano, Israel; Chapman, Andrew M.; Urakawa, Atsushi; van Leeuwen, Piet W. N. M.","Air-stable gold nanoparticles ligated by secondary phosphine oxides for the chemoselective hydrogenation of aldehydes: crucial role of the ligand.","Journal of the American Chemical Society","2014","136","6","2520","2528","10.1021/ja411202h","","","0.71073","MoKα","","0.1036","0.088","","","0.1912","0.197","","","","","","1.273","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120539","8.2211","0.0009","7.344","0.0008","25.041","0.003","90.015","0.004","94.66","0.003","90.01","0.004","1506.9","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H38 O6 -","- C36 H38 O6 -","- C72 H76 O12 -","2","1","","Jin, Xu-Hui; Sheberla, Dennis; Shimon, Linda J. W.; Bendikov, Michael","Highly Coplanar Very Long Oligo(alkylfuran)s: A Conjugated System with Specific Head-To-Head Defect.","Journal of the American Chemical Society","2014","136","6","2592","2601","10.1021/ja411842g","","","0.71073","MoKα","","0.0886","0.0697","","","0.1969","0.2066","","","","","","1.073","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120540","7.1757","0.0017","8.249","0.002","28.018","0.007","90","","90","","90","","1658.5","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Br N O3 -","- C18 H20 Br N O3 -","- C72 H80 Br4 N4 O12 -","4","1","","Liu, Honglei; Wu, Yang; Zhao, Yan; Li, Zhen; Zhang, Lei; Yang, Wenjun; Jiang, Hui; Jing, Chengfeng; Yu, Hao; Wang, Bo; Xiao, Yumei; Guo, Hongchao","Metal-catalyzed [6 + 3] cycloaddition of tropone with azomethine ylides: a practical access to piperidine-fused bicyclic heterocycles.","Journal of the American Chemical Society","2014","136","6","2625","2629","10.1021/ja4122268","","","0.71073","MoKα","","0.0399","0.0376","","","0.0811","0.0825","","","","","","1.082","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120541","9.3032","0.0003","12.789","0.0004","14.7995","0.0005","90","","89.401","0.003","90","","1760.73","0.1","150.1","0.2","150.1","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ba4","","","- C19 H19 Cu N3 O3 -","- C19 H19 Cu N3 O3 -","- C76 H76 Cu4 N12 O12 -","4","1","","Tran, Ba L.; Li, Bijie; Driess, Matthias; Hartwig, John F.","Copper-catalyzed intermolecular amidation and imidation of unactivated alkanes.","Journal of the American Chemical Society","2014","136","6","2555","2563","10.1021/ja411912p","","","0.71073","MoKα","","0.0681","0.0472","","","0.0953","0.1031","","","","","","1.055","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120542","9.7344","0.0017","16.996","0.002","12.836","0.003","90","","110.84","0.02","90","","1984.7","0.7","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[(L1)Cu(NHSO2Ph)]","","","- C20 H24 Cu N3 O3 S -","- C20 H24 Cu N3 O3 S -","- C80 H96 Cu4 N12 O12 S4 -","4","1","","Tran, Ba L.; Li, Bijie; Driess, Matthias; Hartwig, John F.","Copper-catalyzed intermolecular amidation and imidation of unactivated alkanes.","Journal of the American Chemical Society","2014","136","6","2555","2563","10.1021/ja411912p","","x-ray","0.71073","MoKα","","0.1193","0.084","","","0.1589","0.1759","","","","","","1.172","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120543","22.361","0.0013","11.0125","0.0006","13.8061","0.0007","90","","104.314","0.002","90","","3294.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","HARTWIG36","hartwig36","","- C36 H28 Cu2 N6 O4 S2 -","- C36 H28 Cu2 N6 O4 S2 -","- C144 H112 Cu8 N24 O16 S8 -","4","0.5","","Tran, Ba L.; Li, Bijie; Driess, Matthias; Hartwig, John F.","Copper-catalyzed intermolecular amidation and imidation of unactivated alkanes.","Journal of the American Chemical Society","2014","136","6","2555","2563","10.1021/ja411912p","","","0.71073","MoKα","","0.0286","0.0242","","","0.0582","0.0604","","","","","","1.09","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4120544","10.7048","0.0009","10.895","0.0009","11.5387","0.001","80.925","0.003","68.386","0.002","64.219","0.002","1126.58","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","BT1-282","hartwig24","","- C28 H16 Cu N4 O4 -","- C28 H16 Cu N4 O4 -","- C56 H32 Cu2 N8 O8 -","2","1","","Tran, Ba L.; Li, Bijie; Driess, Matthias; Hartwig, John F.","Copper-catalyzed intermolecular amidation and imidation of unactivated alkanes.","Journal of the American Chemical Society","2014","136","6","2555","2563","10.1021/ja411912p","","","1.54178","CuKα","","0.0254","0.0251","","","0.0659","0.0661","","","","","","1.043","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4120545","27.741","0.002","29.059","0.003","38.382","0.003","90","","106.309","0.004","90","","29696","4","293","2","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C115 H103 Cl45 I2 N6 O16 -","- C115 H103 Cl45 I2 N6 O16 -","- C920 H824 Cl360 I16 N48 O128 -","8","2","","Pochorovski, Igor; Knehans, Tim; Nettels, Daniel; Müller, Astrid M; Schweizer, W. Bernd; Caflisch, Amedeo; Schuler, Benjamin; Diederich, François","Experimental and Computational Study of BODIPY Dye-Labeled Cavitand Dynamics.","Journal of the American Chemical Society","2014","136","6","2441","2449","10.1021/ja4104292","","","0.71073","MoKα","","0.328","0.2248","","","0.5452","0.5843","","","","","","3.173","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120546","13.769","0.005","18.431","0.012","16.014","0.006","90","","109.913","0.005","90","","3821","3","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C84 H112 S6 -","- C84 H112 S6 -","- C168 H224 S12 -","2","0.5","","Iyoda, Masahiko; Tanaka, Keita; Shimizu, Hideyuki; Hasegawa, Masashi; Nishinaga, Tohru; Nishiuchi, Tomohiko; Kunugi, Yoshihito; Ishida, Takayuki; Otani, Hiroyuki; Sato, Hiroyasu; Inukai, Koji; Tahara, Kazukuni; Tobe, Yoshito","Multifunctional π-Expanded Macrocyclic Oligothiophene 6-Mers and Related Macrocyclic Oligomers.","Journal of the American Chemical Society","2014","136","6","2389","2396","10.1021/ja4101744","","","0.71073","MoKα","","","0.0415","","","","0.0552","","","","","","0.87","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120547","13.536","0.003","13.731","0.003","13.837","0.003","117.032","0.002","106.648","0.002","95.35","0.002","2118.2","0.8","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C90 H118 S6 -","- C90 H118 S6 -","- C90 H118 S6 -","1","0.5","","Iyoda, Masahiko; Tanaka, Keita; Shimizu, Hideyuki; Hasegawa, Masashi; Nishinaga, Tohru; Nishiuchi, Tomohiko; Kunugi, Yoshihito; Ishida, Takayuki; Otani, Hiroyuki; Sato, Hiroyasu; Inukai, Koji; Tahara, Kazukuni; Tobe, Yoshito","Multifunctional π-Expanded Macrocyclic Oligothiophene 6-Mers and Related Macrocyclic Oligomers.","Journal of the American Chemical Society","2014","136","6","2389","2396","10.1021/ja4101744","","","0.71073","MoKα","","","0.0981","","","","0.3164","","","","","","1.019","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120548","14.5307","0.0013","16.0648","0.0014","26.561","0.002","99.03","0.007","90.771","0.006","107.277","0.008","5835.2","0.9","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C126 H168 S9 -","- C126 H168.01 S9 -","- C252 H336.02 S18 -","2","1","","Iyoda, Masahiko; Tanaka, Keita; Shimizu, Hideyuki; Hasegawa, Masashi; Nishinaga, Tohru; Nishiuchi, Tomohiko; Kunugi, Yoshihito; Ishida, Takayuki; Otani, Hiroyuki; Sato, Hiroyasu; Inukai, Koji; Tahara, Kazukuni; Tobe, Yoshito","Multifunctional π-Expanded Macrocyclic Oligothiophene 6-Mers and Related Macrocyclic Oligomers.","Journal of the American Chemical Society","2014","136","6","2389","2396","10.1021/ja4101744","","","1.54187","CuKα","","","0.236","","","","0.5506","","","","","","1.591","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120549","8.9637","0.0004","23.4452","0.001","14.728","0.0006","90","","92.17","0.001","90","","3093","0.2","273","2","273","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 F6 N2 O3 Rh S Sb -","- C28 H32 F6 N2 O3 Rh S Sb -","- C112 H128 F24 N8 O12 Rh4 S4 Sb4 -","4","1","","Park, Sae Hume; Kwak, Jaesung; Shin, Kwangmin; Ryu, Jaeyune; Park, Yoonsu; Chang, Sukbok","Mechanistic studies of the rhodium-catalyzed direct C-h amination reaction using azides as the nitrogen source.","Journal of the American Chemical Society","2014","136","6","2492","2502","10.1021/ja411072a","","","0.71073","MoKα","","0.0746","0.0409","","","0.073","0.1208","","","","","","1.163","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120550","24.728","0.004","10.6883","0.0016","28.583","0.004","90","","112.307","0.005","90","","6989.1","1.8","296","2","296","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Cl2 F6 N2 O4 Rh S Sb -","- C30 H36 Cl2 F6 N2 O4 Rh S Sb -","- C240 H288 Cl16 F48 N16 O32 Rh8 S8 Sb8 -","8","1","","Park, Sae Hume; Kwak, Jaesung; Shin, Kwangmin; Ryu, Jaeyune; Park, Yoonsu; Chang, Sukbok","Mechanistic studies of the rhodium-catalyzed direct C-h amination reaction using azides as the nitrogen source.","Journal of the American Chemical Society","2014","136","6","2492","2502","10.1021/ja411072a","","","0.71073","MoKα","","0.087","0.0604","","","0.1804","0.2073","","","","","","1.019","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120551","9.48461","0.00003","13.47194","0.00006","5.773234","0.000018","90","","90","","90","","737.681","0.005","298","","298","","","","","","","","","5","A 21 a m","A -2 2a","36","","","","- Al Ba N5 O3 Si4 -","- Al Ba N5 O3 Si4 -","- Al4 Ba4 N20 O12 Si16 -","4","0.5","","Park, Woon Bae; Singh, Satendra Pal; Sohn, Kee-Sun","Discovery of a phosphor for light emitting diode applications and its structural determination, ba(si,al)5(o,n)8:eu(2+).","Journal of the American Chemical Society","2014","136","6","2363","2373","10.1021/ja409865c","powder diffraction","","1.5472","Synchrotron","","","","","","","","","3.1036","2.0716","","","","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120552","9.47791","0.00004","13.45426","0.00005","5.7694","0.00002","90","","90","","90","","735.704","0.005","298","","298","","","","","","","","","5","A 21 a m","A -2 2a","36","","","","- Al2 Ba N4 O4 Si3 -","- Al2 Ba N4 O4 Si3 -","- Al8 Ba4 N16 O16 Si12 -","4","0.5","","Park, Woon Bae; Singh, Satendra Pal; Sohn, Kee-Sun","Discovery of a phosphor for light emitting diode applications and its structural determination, ba(si,al)5(o,n)8:eu(2+).","Journal of the American Chemical Society","2014","136","6","2363","2373","10.1021/ja409865c","powder diffraction","","1.5472","Synchrotron","","","","","","","","","4.0537","2.0716","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120553","11.345","0.0011","5.1744","0.0005","17.219","0.0017","90","","91.318","0.002","90","","1010.55","0.17","15","2","15","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","2","","Blain, J. Craig; Ricardo, Alonso; Szostak, Jack W.","Synthesis and Nonenzymatic Template-Directed Polymerization of 2'-Amino-2'-deoxythreose Nucleotides.","Journal of the American Chemical Society","2014","136","5","2033","2039","10.1021/ja411950n","","","0.41328","synchrotron","","0.046","0.0378","","","0.0864","0.0919","","","","","","1.026","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120554","7.8864","0.0004","11.2704","0.0004","12.0597","0.0006","90","","90","","90","","1071.9","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N6 O3 -","- C9 H12 N6 O3 -","- C36 H48 N24 O12 -","4","1","","Blain, J. Craig; Ricardo, Alonso; Szostak, Jack W.","Synthesis and Nonenzymatic Template-Directed Polymerization of 2'-Amino-2'-deoxythreose Nucleotides.","Journal of the American Chemical Society","2014","136","5","2033","2039","10.1021/ja411950n","","","1.54178","CuKα","","0.0543","0.0455","","","0.1124","0.1183","","","","","","1.06","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120555","6.0761","0.0003","8.3926","0.0005","23.7433","0.0016","90","","90","","90","","1210.77","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H12 Br4 N2 Pb -","- C3 H12 Br4 N2 Pb -","- C12 H48 Br16 N8 Pb4 -","4","1","","Dohner, Emma R.; Hoke, Eric T.; Karunadasa, Hemamala I.","Self-assembly of broadband white-light emitters.","Journal of the American Chemical Society","2014","136","5","1718","1721","10.1021/ja411045r","","","0.71073","MoKα","","0.0517","0.0339","","","","0.0687","","","","","","1.036","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120556","8.3162","0.0004","8.3161","0.0003","20.1181","0.0009","90","","101.695","0.002","90","","1362.45","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[PbBr4](NMPDA)","","","- C4 H14 Br4 N2 Pb -","- C4 H14 Br4 N2 Pb -","- C16 H56 Br16 N8 Pb4 -","4","1","","Dohner, Emma R.; Hoke, Eric T.; Karunadasa, Hemamala I.","Self-assembly of broadband white-light emitters.","Journal of the American Chemical Society","2014","136","5","1718","1721","10.1021/ja411045r","","","0.71073","","","0.0822","0.0755","","","0.1719","0.1748","","","","","","1.161","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120557","26.374","0.003","26.374","0.003","31.884","0.003","90","","90","","90","","22178","4","90","2","90","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C126 H156 F28 N44.56 O91.35 Pd6 -","- C126 H156 F28 N44.564 O91.348 Pd6 -","- C504 H624 F112 N178.256 O365.392 Pd24 -","4","0.25","","Takezawa, Hiroki; Murase, Takashi; Resnati, Giuseppe; Metrangolo, Pierangelo; Fujita, Makoto","Recognition of polyfluorinated compounds through self-aggregation in a cavity.","Journal of the American Chemical Society","2014","136","5","1786","1788","10.1021/ja412893c","","","0.71073","MoKα","","0.1188","0.0774","","","0.226","0.2633","","","","","","1.028","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120558","26.059","0.002","26.059","0.002","31.879","0.003","90","","90","","90","","21648","3","90","2","90","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C124.8 H152.4 F8.4 N45.48 O85.02 Pd6 -","- C124.8 H152.4 F8.4 N45.484 O85.024 Pd6 -","- C499.2 H609.6 F33.6 N181.936 O340.096 Pd24 -","4","0.25","","Takezawa, Hiroki; Murase, Takashi; Resnati, Giuseppe; Metrangolo, Pierangelo; Fujita, Makoto","Recognition of polyfluorinated compounds through self-aggregation in a cavity.","Journal of the American Chemical Society","2014","136","5","1786","1788","10.1021/ja412893c","","","0.71073","MoKα","","0.087","0.0689","","","0.1922","0.2206","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120559","26.037","0.002","26.037","0.002","31.484","0.003","90","","90","","90","","21344","3","90","2","90","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C126.8 H144 F16.78 N45.92 O78.76 Pd6 -","- C126.8 H144 F16.776 N45.92 O78.76 Pd6 -","- C507.2 H576 F67.104 N183.68 O315.04 Pd24 -","4","0.25","","Takezawa, Hiroki; Murase, Takashi; Resnati, Giuseppe; Metrangolo, Pierangelo; Fujita, Makoto","Recognition of polyfluorinated compounds through self-aggregation in a cavity.","Journal of the American Chemical Society","2014","136","5","1786","1788","10.1021/ja412893c","","","0.71073","MoKα","","0.0866","0.0671","","","0.191","0.2163","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120560","24.284","0.003","24.306","0.003","24.636","0.003","115.99","0.001","90.625","0.002","119.371","0.001","10907","2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C256 H310.7 F56 N90.79 O173.83 Pd12 -","- C256 H310.7 F56 N90.786 O173.834 Pd12 -","- C256 H310.7 F56 N90.786 O173.834 Pd12 -","1","0.5","","Takezawa, Hiroki; Murase, Takashi; Resnati, Giuseppe; Metrangolo, Pierangelo; Fujita, Makoto","Recognition of polyfluorinated compounds through self-aggregation in a cavity.","Journal of the American Chemical Society","2014","136","5","1786","1788","10.1021/ja412893c","","","0.71073","MoKα","","0.1267","0.0789","","","0.2119","0.2437","","","","","","0.999","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120561","25.941","0.005","25.941","0.005","31.667","0.006","90","","90","","90","","21310","7","90","2","90","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C268 H288 F40 N91.25 O168.2 Pd12 -","- C268 H288 F40 N91.256 O168.176 Pd12 -","- C536 H576 F80 N182.512 O336.352 Pd24 -","2","0.125","","Takezawa, Hiroki; Murase, Takashi; Resnati, Giuseppe; Metrangolo, Pierangelo; Fujita, Makoto","Recognition of polyfluorinated compounds through self-aggregation in a cavity.","Journal of the American Chemical Society","2014","136","5","1786","1788","10.1021/ja412893c","","","0.71073","MoKα","","0.1317","0.0826","","","0.226","0.2562","","","","","","1.082","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120562","25.93","0.003","25.93","0.003","31.605","0.003","90","","90","","90","","21250","4","90","2","90","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C132 H146.72 F20 N48.09 O85.32 Pd6 -","- C132 H146.72 F20 N48.092 O85.324 Pd6 -","- C528 H586.88 F80 N192.368 O341.296 Pd24 -","4","0.25","","Takezawa, Hiroki; Murase, Takashi; Resnati, Giuseppe; Metrangolo, Pierangelo; Fujita, Makoto","Recognition of polyfluorinated compounds through self-aggregation in a cavity.","Journal of the American Chemical Society","2014","136","5","1786","1788","10.1021/ja412893c","","","0.71073","MoKα","","0.0925","0.066","","","0.1773","0.2036","","","","","","1.047","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120563","6.159","0.0003","9.1136","0.0005","25.9848","0.0013","90","","90","","90","","1458.54","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C64 H68 Br4 O12 -","4","1","","Gao, Fang; Carr, James L.; Hoveyda, Amir H.","A Broadly Applicable NHC-Cu-Catalyzed Approach for Efficient, Site-, and Enantioselective Coupling of Readily Accessible (Pinacolato)alkenylboron Compounds to Allylic Phosphates and Applications to Natural Product Synthesis.","Journal of the American Chemical Society","2014","136","5","2149","2161","10.1021/ja4126565","","","0.71073","MoKα","","0.0176","0.0168","","","0.0452","0.0455","","","","","","1.056","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120564","21.385","0.001","10.513","0.001","22.532","0.001","90","","107.59","0.02","90","","4828.8","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51.5 H74 Co2 F3 N2 O3 S -","- C51.5 H74 Co2 F3 N2 O3 S -","- C206 H296 Co8 F12 N8 O12 S4 -","4","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot","Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.","Journal of the American Chemical Society","2014","136","5","1770","1773","10.1021/ja4123285","","","0.71073","MoKα","","0.0581","0.0441","","","0.0867","0.0911","","","","","","1.127","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120565","25.322","0.002","25.322","0.002","10.553","0.002","90","","90","","90","","6766.6","1.5","100","2","100","2","","","","","","","","7","P -4","P -4","81","","","","- C64 H102 Cl6 Co2 Li N3 O -","- C64 H102 Cl6 Co2 Li N3 O -","- C256 H408 Cl24 Co8 Li4 N12 O4 -","4","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot","Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.","Journal of the American Chemical Society","2014","136","5","1770","1773","10.1021/ja4123285","","","0.71073","MoKα","","0.0462","0.033","","","0.0602","0.0643","","","","","","1.022","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120566","12.818","0.001","14.301","0.001","15.849","0.001","90.11","0.02","99.65","0.02","108.68","0.02","2708.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Cl3 Co N O -","- C24 H40 Cl3 Co N O -","- C96 H160 Cl12 Co4 N4 O4 -","4","2","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot","Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.","Journal of the American Chemical Society","2014","136","5","1770","1773","10.1021/ja4123285","","","0.71073","MoKα","","0.035","0.0282","","","0.0668","0.0713","","","","","","1.047","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120567","9.683","0.002","11.794","0.002","19.932","0.002","104.34","0.02","95.28","0.02","105.55","0.02","2093.8","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H70 Cl Co N2 -","- C47 H70 Cl Co N2 -","- C94 H140 Cl2 Co2 N4 -","2","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot","Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.","Journal of the American Chemical Society","2014","136","5","1770","1773","10.1021/ja4123285","","","0.71073","MoKα","","0.0528","0.0392","","","0.0688","0.0736","","","","","","1.065","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120568","22.773","0.002","10.794","0.002","16.689","0.002","90","","90","","90","","4102.4","1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C47 H70 Co2 N2 -","- C47 H70 Co2 N2 -","- C188 H280 Co8 N8 -","4","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot","Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.","Journal of the American Chemical Society","2014","136","5","1770","1773","10.1021/ja4123285","","","0.71073","MoKα","","0.0273","0.0249","","","0.0551","0.056","","","","","","1.08","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120569","10.02","0.002","14.726","0.002","28.284","0.002","90","","90","","90","","4173.4","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H64 Cl4 Co N2 -","- C40 H64 Cl4 Co N2 -","- C160 H256 Cl16 Co4 N8 -","4","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot","Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.","Journal of the American Chemical Society","2014","136","5","1770","1773","10.1021/ja4123285","","","0.71073","MoKα","","0.0324","0.027","","","0.0581","0.0594","","","","","","1.03","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120570","12.87","0.0012","9.8433","0.0009","28.98","0.003","90","","90","","90","","3671.3","0.6","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C14 H15 Cl F3 N3 O3 Pt S -","- C14 H15 Cl F3 N3 O3 Pt S -","- C112 H120 Cl8 F24 N24 O24 Pt8 S8 -","8","1","","Johnstone, Timothy C.; Lippard, Stephen J.","The chiral potential of phenanthriplatin and its influence on Guanine binding.","Journal of the American Chemical Society","2014","136","5","2126","2134","10.1021/ja4125115","","","0.71073","MoKα","","0.0284","0.0202","","","0.0398","0.0426","","","","","","1.116","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120571","22.1704","0.0019","12.2581","0.001","27.389","0.003","90","","110.716","0.001","90","","6962.2","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H28 F6 N8 O8 Pt S2 -","- C23.5 H28 F6 N8 O8 Pt S2 -","- C188 H224 F48 N64 O64 Pt8 S16 -","8","1","","Johnstone, Timothy C.; Lippard, Stephen J.","The chiral potential of phenanthriplatin and its influence on Guanine binding.","Journal of the American Chemical Society","2014","136","5","2126","2134","10.1021/ja4125115","","","0.71073","MoKα","","0.0814","0.0619","","","0.1395","0.154","","","","","","1.265","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120572","11.8226","0.0007","4.9998","0.0003","23.0652","0.0013","90","","101.888","0.001","90","","1334.16","0.14","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl F3 N3 O3 Pt S -","- C6 H11 Cl F3 N3 O3 Pt S -","- C24 H44 Cl4 F12 N12 O12 Pt4 S4 -","4","1","","Johnstone, Timothy C.; Lippard, Stephen J.","The chiral potential of phenanthriplatin and its influence on Guanine binding.","Journal of the American Chemical Society","2014","136","5","2126","2134","10.1021/ja4125115","","","0.71073","MoKα","","0.0155","0.0143","","","0.0365","0.0377","","","","","","1.158","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120573","24.6325","0.0009","11.4033","0.0004","19.3606","0.0007","90","","92.399","0.001","90","","5433.5","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 F6 N8 O7 Pt S2 -","- C13 H18 F6 N8 O7 Pt S2 -","- C104 H144 F48 N64 O56 Pt8 S16 -","8","1","","Johnstone, Timothy C.; Lippard, Stephen J.","The chiral potential of phenanthriplatin and its influence on Guanine binding.","Journal of the American Chemical Society","2014","136","5","2126","2134","10.1021/ja4125115","","","0.71073","MoKα","","0.0279","0.0216","","","0.0456","0.0472","","","","","","1.042","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120574","5.4655","0.0003","6.9612","0.0004","7.6303","0.0005","79.842","0.0009","84.579","0.001","89.123","0.0009","284.48","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl2 N2 Pt -","- C10 H10 Cl2 N2 Pt -","- C10 H10 Cl2 N2 Pt -","1","0.5","","Johnstone, Timothy C.; Lippard, Stephen J.","The chiral potential of phenanthriplatin and its influence on Guanine binding.","Journal of the American Chemical Society","2014","136","5","2126","2134","10.1021/ja4125115","","","0.71073","MoKα","","0.0128","0.0128","","","0.0301","0.0301","","","","","","1.047","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120575","16.7722","0.0002","20.9797","0.0006","23.1866","0.0003","89.038","0.004","72.648","0.003","81.321","0.005","7694.9","0.3","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C252 H332 Cl2 N10 O76 Rh2 -","- C252 H332 Cl2 N10 O76 Rh2 -","- C252 H332 Cl2 N10 O76 Rh2 -","1","1","","Masai, Hiroshi; Terao, Jun; Seki, Shu; Nakashima, Shigeto; Kiguchi, Manabu; Okoshi, Kento; Fujihara, Tetsuaki; Tsuji, Yasushi","Synthesis of One-Dimensional Metal-Containing Insulated Molecular Wire with Versatile Properties Directed toward Molecular Electronics Materials.","Journal of the American Chemical Society","2014","136","5","1742","1745","10.1021/ja411665k","","","0.7107","MoKα","","","0.0612","","","","0.1765","","","","","","1.048","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120576","9.9374","0.0009","10.7588","0.001","11.9358","0.0011","90","","109.122","0.002","90","","1205.7","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O5 S -","- C11 H13 N O5 S -","- C44 H52 N4 O20 S4 -","4","1","","Zhu, Haitao; Chen, Pinhong; Liu, Guosheng","Pd-catalyzed intramolecular aminohydroxylation of alkenes with hydrogen peroxide as oxidant and water as nucleophile.","Journal of the American Chemical Society","2014","136","5","1766","1769","10.1021/ja412023b","","","0.71073","MoKα","","0.0433","0.0384","","","0.1045","0.1095","","","","","","1.066","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120577","11.9493","0.0009","13.2285","0.0009","15.9117","0.0011","103.066","0.004","112.628","0.005","104.644","0.005","2093.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N4 O4 -","- C22 H22 N4 O4 -","- C88 H88 N16 O16 -","4","2","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.5418","CuKα","","0.081","0.0555","","","0.1373","0.1546","","","","","","1.012","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120578","13.922","0.003","22.269","0.005","30.117","0.006","90","","102.16","0.03","90","","9128","4","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C78 H90 N12 O17 -","- C78 H90 N12 O17 -","- C312 H360 N48 O68 -","4","1","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.54178","CuKα","","0.1933","0.1732","","","0.4199","0.4539","","","","","","1.758","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120579","15.248","0.003","16.89","0.003","19.555","0.004","85.29","0.03","67.3","0.03","83.12","0.03","4609.1","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H101 Cl6 N12 O20 S -","- C87 H101 Cl6 N12 O20 S -","- C174 H202 Cl12 N24 O40 S2 -","2","1","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.54178","CuKα","","0.1689","0.1364","","","0.3537","0.3777","","","","","","1.337","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120580","12.784","0.002","14.385","0.002","15.914","0.002","112.032","0.004","99.694","0.005","98.655","0.003","2600","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H106 Cl12 N12 O22 -","- C94 H106 Cl12 N12 O22 -","- C94 H106 Cl12 N12 O22 -","1","0.5","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.54178","CuKα","","0.1","0.085","","","0.219","0.2366","","","","","","1.084","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120581","15.984","0.001","16.622","0.007","9.16","0.001","90","","90","","90","","2433.7","1.1","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H8.5 N3.5 O5 -","- C12 H8.5 N3.5 O5 -","- C96 H68 N28 O40 -","8","1","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.5418","CuKα","","0.0618","0.0507","","","0.1404","0.1518","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120582","7.442","0.001","12.755","0.002","18.706","0.001","74.31","0.009","82.691","0.006","76.12","0.011","1655.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N6 O9 -","- C30 H38 N6 O9 -","- C60 H76 N12 O18 -","2","1","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","0.71073","MoKα","","0.0871","0.0504","","","0.1252","0.1464","","","","","","1.02","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120583","7.477","0.003","11.703","0.004","12.598","0.004","73.99","0.03","74.91","0.03","77.42","0.03","1010.3","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21.5 H21 N4 O4.5 -","- C21.5 H18 N4 O4.5 -","- C43 H36 N8 O9 -","2","1","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.5418","CuKα","","0.0901","0.0747","","","0.173","0.184","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120584","13.057","0.002","16.5987","0.0015","20.386","0.004","71.835","0.01","87.525","0.016","66.901","0.012","3845.6","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H41 Cl3 N6 O8 -","- C33 H41 Cl3 N6 O8 -","- C132 H164 Cl12 N24 O32 -","4","2","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","0.71073","MoKα","","0.113","0.0788","","","0.1802","0.2001","","","","","","1.057","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120585","21.202","0.004","15.209","0.003","24.506","0.005","90","","95.07","0.03","90","","7871","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 N6 O9 -","- C40 H46 N6 O9 -","- C320 H368 N48 O72 -","8","2","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.54178","CuKα","","0.1131","0.094","","","0.2776","0.3037","","","","","","1.14","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120586","7.434","0.004","21.865","0.006","12.827","0.003","90","","90.51","0.03","90","","2084.9","1.4","278","2","278","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N6 O9 -","- C20 H16 N6 O9 -","- C80 H64 N24 O36 -","4","1","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.5418","CuKα","","0.1004","0.0516","","","0.1121","0.1428","","","","","","1.026","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120587","10.1948","0.001","11.7506","0.0011","21.0907","0.0017","90","","90","","90","","2526.6","0.4","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","js11nov13","","","- C23 H38 N3 O6 -","- C23 H38 N3 O6 -","- C92 H152 N12 O24 -","4","1","","Carney, Daniel W.; Schmitz, Karl R.; Truong, Jonathan V.; Sauer, Robert T.; Sello, Jason K.","Restriction of the conformational dynamics of the cyclic acyldepsipeptide antibiotics improves their antibacterial activity.","Journal of the American Chemical Society","2014","136","5","1922","1929","10.1021/ja410385c","","","0.71073","","","0.0706","0.0577","","","0.1464","0.155","","","","","","1.031","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120588","10.083","0.017","11.513","0.019","20.46","0.03","90","","90","","90","","2375","7","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","js30jun11","","","- C21 H34 N3 O6 -","- C21 H34 N3 O6 -","- C84 H136 N12 O24 -","4","1","","Carney, Daniel W.; Schmitz, Karl R.; Truong, Jonathan V.; Sauer, Robert T.; Sello, Jason K.","Restriction of the conformational dynamics of the cyclic acyldepsipeptide antibiotics improves their antibacterial activity.","Journal of the American Chemical Society","2014","136","5","1922","1929","10.1021/ja410385c","","","0.71073","","","0.085","0.0711","","","0.1678","0.1825","","","","","","1.046","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120589","28.867","0.0001","28.867","0.0001","28.867","0.0001","90","","90","","90","","24055","0.14","123","2","123","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C48 H27 N0 O16 Zn4 -","- C48 H27 O16 Zn4 -","- C384 H216 O128 Zn32 -","8","0.333333","","Mo, Ke; Yang, Yuhua; Cui, Yong","A homochiral metal-organic framework as an effective asymmetric catalyst for cyanohydrin synthesis.","Journal of the American Chemical Society","2014","136","5","1746","1749","10.1021/ja411887c","","","1.54178","CuKα","","0.0955","0.0855","","","0.2286","0.2381","","","","","","1.072","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120590","12.2871","0.0002","12.2871","0.0002","46.554","0.0012","90","","90","","90","","7028.4","0.2","100","","100","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C12 H16 Cu4 N4 O8 -","- C12 H16 Cu4 N4 O8 -","- C192 H256 Cu64 N64 O128 -","16","1","","Do, Hien-Quang; Bachman, Shoshana; Bissember, Alex C.; Peters, Jonas C.; Fu, Gregory C.","Photoinduced, copper-catalyzed alkylation of amides with unactivated secondary alkyl halides at room temperature.","Journal of the American Chemical Society","2014","136","5","2162","2167","10.1021/ja4126609","","","0.71073","MoKα","","0.0464","0.0332","","","0.0636","0.0677","","","","","","1.026","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120591","11.1038","0.0005","16.6839","0.0009","18.0283","0.0009","90","","107.125","0.004","90","","3191.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 I2 N2 Ni O -","- C35 H32 I2 N2 Ni O -","- C140 H128 I8 N8 Ni4 O4 -","4","1","","Wiedemann, Thomas; Voit, Gregor; Tchernook, Alexandra; Roesle, Philipp; Göttker-Schnetmann, Inigo; Mecking, Stefan","Monofunctional hyperbranched ethylene oligomers.","Journal of the American Chemical Society","2014","136","5","2078","2085","10.1021/ja411945n","","","0.71073","MoKα","","0.0538","0.0346","","","0.0755","0.0804","","","","","","1.049","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120592","12.4874","0.0006","14.509","0.0007","32.8803","0.0015","90","","95.954","0.002","90","","5925.1","0.5","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H35 B2 F30 O2 P -","- C63 H35 B2 F30 O2 P -","- C252 H140 B8 F120 O8 P4 -","4","1","","Xu, Tieqi; Chen, Eugene Y.-X.","Probing site cooperativity of frustrated phosphine/borane lewis pairs by a polymerization study.","Journal of the American Chemical Society","2014","136","5","1774","1777","10.1021/ja412445n","","","0.71073","MoKα","","0.0796","0.0613","","","0.1302","0.138","","","","","","1.155","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120593","15.3537","0.0006","9.0513","0.0003","16.4471","0.0006","90","","114","0.002","90","","2088.06","0.14","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Au I2 P -","- C22 H16 Au I2 P -","- C88 H64 Au4 I8 P4 -","4","1","","Guenther, Johannes; Mallet-Ladeira, Sonia; Estevez, Laura; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Activation of Aryl Halides at Gold(I): Practical Synthesis of (P,C) Cyclometalated Gold(III) Complexes.","Journal of the American Chemical Society","2014","136","5","1778","1781","10.1021/ja412432k","","x-ray","0.71073","MoKα","","0.0484","0.0374","","","0.0902","0.0953","","","","","","1.03","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120594","15.6992","0.0009","11.3526","0.0006","16.8558","0.001","90","","107.469","0.002","90","","2865.6","0.3","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 Au Br2 P2 -","- C32 H27 Au Br2 P2 -","- C128 H108 Au4 Br8 P8 -","4","1","","Guenther, Johannes; Mallet-Ladeira, Sonia; Estevez, Laura; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Activation of Aryl Halides at Gold(I): Practical Synthesis of (P,C) Cyclometalated Gold(III) Complexes.","Journal of the American Chemical Society","2014","136","5","1778","1781","10.1021/ja412432k","","x-ray","0.71073","MoKα","","0.0311","0.0226","","","0.0461","0.0487","","","","","","1.006","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120595","8.6523","0.0012","45.28","0.006","15.178","0.002","90","","95.053","0.004","90","","5923.3","1.4","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Au Cl2 P -","- C22 H16 Au Cl2 P -","- C264 H192 Au12 Cl24 P12 -","12","3","","Guenther, Johannes; Mallet-Ladeira, Sonia; Estevez, Laura; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Activation of Aryl Halides at Gold(I): Practical Synthesis of (P,C) Cyclometalated Gold(III) Complexes.","Journal of the American Chemical Society","2014","136","5","1778","1781","10.1021/ja412432k","","x-ray","0.71073","MoKα","","0.0522","0.0437","","","0.0921","0.0949","","","","","","1.195","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120596","15.8638","0.0008","11.7729","0.0006","18.0265","0.0009","90","","98.615","0.001","90","","3328.7","0.3","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Cl2 Fe N4 O6 P2 -","- C28 H46 Cl2 Fe N4 O6 P2 -","- C112 H184 Cl8 Fe4 N16 O24 P8 -","4","1","","Klepser, Benjamin M.; Bartlett, Bart M.","Anchoring a Molecular Iron Catalyst to Solar-Responsive WO3 Improves the Rate and Selectivity of Photoelectrochemical Water Oxidation.","Journal of the American Chemical Society","2014","136","5","1694","1697","10.1021/ja4086808","","","0.71073","MoKα","","0.0785","0.0441","","","0.0935","0.1075","","","","","","1.002","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120597","14.238","0.004","18.939","0.005","19.681","0.005","104.533","0.006","96.912","0.008","94.763","0.004","5064","2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C101 H103 D16 N15 O13 Pd Pt -","- C101 H119 N15 O13 Pd Pt -","- C202 H238 N30 O26 Pd2 Pt2 -","2","1","","Beves, Jonathon E.; Blanco, Victor; Blight, Barry A.; Carrillo, Romen; D'Souza, Daniel M; Howgego, David; Leigh, David A.; Slawin, Alexandra M. Z.; Symes, Mark D.","Toward Metal Complexes That Can Directionally Walk Along Tracks: Controlled Stepping of a Molecular Biped with a Palladium(II) Foot.","Journal of the American Chemical Society","2014","136","5","2094","2100","10.1021/ja4123973","","","0.71075","MoKα","","0.1292","0.1041","","","0.2988","0.3374","","","","","","1.231","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120598","9.245","0.0006","12.5597","0.0008","18.4751","0.0012","90","","98.724","0.001","90","","2120.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","FeCo","","","- C21 H24 Cl Co1.04 Fe0.96 N7 -","- C21 H24 Cl Co1.041 Fe0.959 N7 -","- C84 H96 Cl4 Co4.164 Fe3.836 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.41328","synchrotron","","0.0501","0.0389","","","0.1049","0.1125","","","","","","1.022","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120599","9.3012","0.0008","12.4519","0.0011","18.5177","0.0016","90","","98.632","0.002","90","","2120.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MnCo","","","- C21 H24 Cl Co0.998 Mn1.002 N7 -","- C21 H24 Cl Co0.998 Mn1.002 N7 -","- C84 H96 Cl4 Co3.992 Mn4.008 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.41328","synchrotron","","0.0646","0.0355","","","0.114","0.1363","","","","","","0.977","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120600","9.3327","0.0009","12.4574","0.0012","18.4915","0.0019","90","","98.5268","0.0015","90","","2126.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MnFe","","","- C21 H24 Cl Fe0.955 Mn1.05 N7 -","- C21 H24 Cl Fe0.957 Mn1.043 N7 -","- C84 H96 Cl4 Fe3.828 Mn4.172 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.41328","synchrotron","","0.0609","0.0379","","","0.088","0.095","","","","","","0.949","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120601","9.5866","0.0007","14.8453","0.0011","14.9574","0.0011","90","","90","","90","","2128.7","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(PPL)CoCoCl","","","- C21 H24 Cl Co2 N7 -","- C21 H24 Cl Co2 N7 -","- C84 H96 Cl4 Co8 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.71073","MoKα","","0.0196","0.0186","","","0.0477","0.0483","","","","","","1.009","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120602","9.245","0.0006","12.5597","0.0008","18.4751","0.0012","90","","98.724","0.001","90","","2120.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(PPL)CoFeCl","","","- C21 H24 Cl Co Fe N7 -","- C21 H24 Cl Co Fe N7 -","- C84 H96 Cl4 Co4 Fe4 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.71073","MoKα","","0.0252","0.0226","","","0.0591","0.0607","","","","","","1.038","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120603","9.3125","0.0007","12.5159","0.0009","18.574","0.0014","90","","98.631","0.001","90","","2140.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(PPL)CoMnCl","","","- C21 H24 Cl Co Mn N7 -","- C21 H24 Cl Co Mn N7 -","- C84 H96 Cl4 Co4 Mn4 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.71073","MoKα","","0.0417","0.0297","","","0.0645","0.0695","","","","","","1.028","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120604","9.206","0.003","12.673","0.003","18.423","0.005","90","","100.544","0.003","90","","2113.1","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(PPL)FeFeCl","","","- C21 H24 Cl Fe2 N7 -","- C21 H24 Cl Fe2 N7 -","- C84 H96 Cl4 Fe8 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.71073","MoKα","","0.0275","0.0234","","","0.066","0.0689","","","","","","1.006","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120605","9.3535","0.0004","12.5109","0.0005","18.5566","0.0008","90","","98.5002","0.0004","90","","2147.65","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(PPL)FeMnCl","","","- C21 H24 Cl Fe Mn N7 -","- C21 H24 Cl Fe Mn N7 -","- C84 H96 Cl4 Fe4 Mn4 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.71073","MoKα","","0.0341","0.0265","","","0.0622","0.0659","","","","","","1.044","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120606","12.955","0.002","16.21","0.003","21.245","0.003","90","","106.123","0.002","90","","4286","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","KCo(py3tren)","","","- C21 H24 Co K N7 -","- C21 H24 Co K N7 -","- C168 H192 Co8 K8 N56 -","8","2","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.71073","MoKα","","0.1318","0.0626","","","0.1346","0.1667","","","","","","0.939","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120607","10.1666","0.0004","13.8647","0.0006","19.1051","0.0008","95.982","0.002","103.95","0.002","96.87","0.002","2569.95","0.19","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H75 Ge N O2 Si -","- C58 H75 Ge N O2 Si -","- C116 H150 Ge2 N2 O4 Si2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Low Coordinate Germanium(II) and Tin(II) Hydride Complexes: Efficient Catalysts for the Hydroboration of Carbonyl Compounds.","Journal of the American Chemical Society","2014","136","8","3028","","10.1021/ja5006477","","","0.71073","MoKα","","0.0627","0.0483","","","0.1237","0.1315","","","","","","1.051","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120608","10.2694","0.0007","15.7032","0.0012","28.1381","0.0019","90","","97.545","0.007","90","","4498.3","0.6","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H67 Ge N O Si -","- C51 H67 Ge N O Si -","- C204 H268 Ge4 N4 O4 Si4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Low Coordinate Germanium(II) and Tin(II) Hydride Complexes: Efficient Catalysts for the Hydroboration of Carbonyl Compounds.","Journal of the American Chemical Society","2014","136","8","3028","","10.1021/ja5006477","","","0.71073","MoKα","","0.1284","0.0615","","","0.1403","0.1784","","","","","","1.056","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120609","10.3523","0.0005","14.1047","0.0007","15.535","0.0007","93.82","0.004","95.712","0.004","107.061","0.004","2146.79","0.19","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H61 N O Si Sn -","- C48 H61 N O Si Sn -","- C96 H122 N2 O2 Si2 Sn2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Low Coordinate Germanium(II) and Tin(II) Hydride Complexes: Efficient Catalysts for the Hydroboration of Carbonyl Compounds.","Journal of the American Chemical Society","2014","136","8","3028","","10.1021/ja5006477","","","0.71073","MoKα","","0.058","0.0511","","","0.1423","0.1458","","","","","","1.156","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120610","10.2642","0.0014","15.679","0.004","28.312","0.004","90","","98.491","0.013","90","","4506.4","1.5","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H67 N O Si Sn -","- C51 H67 N O Si Sn -","- C204 H268 N4 O4 Si4 Sn4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Low Coordinate Germanium(II) and Tin(II) Hydride Complexes: Efficient Catalysts for the Hydroboration of Carbonyl Compounds.","Journal of the American Chemical Society","2014","136","8","3028","","10.1021/ja5006477","","","0.71073","MoKα","","0.1283","0.059","","","0.114","0.1489","","","","","","1.044","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120611","10.2677","0.0011","13.953","0.0013","19.249","0.002","95.626","0.008","104.476","0.009","97.307","0.008","2624.2","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H75 N O2 Si Sn -","- C58 H75 N O2 Si Sn -","- C116 H150 N2 O4 Si2 Sn2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Low Coordinate Germanium(II) and Tin(II) Hydride Complexes: Efficient Catalysts for the Hydroboration of Carbonyl Compounds.","Journal of the American Chemical Society","2014","136","8","3028","","10.1021/ja5006477","","","0.71073","MoKα","","0.155","0.0793","","","0.1564","0.2053","","","","","","0.989","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120612","12.3645","0.0005","11.5922","0.0005","12.7948","0.0005","90","","112.031","0.0007","90","","1699.99","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H32 F6 N2 Si -","- C12 H32 F6 N2 Si -","- C48 H128 F24 N8 Si4 -","4","0.5","","Senaweera, Sameera M.; Singh, Anuradha; Weaver, Jimmie D.","Photocatalytic Hydrodefluorination: Facile Access to Partially Fluorinated Aromatics.","Journal of the American Chemical Society","2014","136","8","3002","","10.1021/ja500031m","","","0.71073","MoKα","","0.0329","0.0304","","","0.0854","0.0879","","","","","","1.008","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4120613","17.4249","0.0004","17.4249","0.0004","16.3359","0.0004","90","","90","","90","","4960","0.2","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C50 H72 Ir2 O P4 -","- C50 H72 Ir2 O P4 -","- C200 H288 Ir8 O4 P16 -","4","0.25","","Burford, Richard J.; Piers, Warren E.; Ess, Daniel H.; Parvez, Masood","Reversible Interconversion Between a Monomeric Iridium Hydroxo and a Dinuclear Iridium μ-Oxo Complex.","Journal of the American Chemical Society","2014","136","8","3256","","10.1021/ja412650s","","","0.71073","MoKα","","0.0321","0.0255","","","0.0539","0.0586","","","","","","1.115","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120614","8.7034","0.0011","9.0617","0.0012","16.353","0.002","102.348","0.0016","97.179","0.0016","102.277","0.0016","1211.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O2.08 -","- C30 H37 N O2.08 -","- C60 H74 N2 O4.16 -","2","1","","Goetz, Adam E.; Silberstein, Amanda L.; Corsello, Michael A.; Garg, Neil K.","Concise Enantiospecific Total Synthesis of Tubingensin A.","Journal of the American Chemical Society","2014","136","8","3036","","10.1021/ja501142e","","","0.71073","MoKα","","0.0861","0.0564","","","0.1352","0.1505","","","","","","1.054","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120615","8.6644","0.0013","8.6644","0.0013","7.1068","0.0014","90","","90","","120","","462.04","0.13","298","2","298","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Al7.62 Au13.38 Sr3 -","- Al7.62 Au13.38 Sr3 -","- Al7.62 Au13.38 Sr3 -","1","0.0833333","","Palasyuk, Andriy; Grin, Yuri; Miller, Gordon J.","Turning Gold into ""Diamond"": A Family of Hexagonal Diamond-Type Au-Frameworks Interconnected by Triangular Clusters in the Sr-Al-Au System.","Journal of the American Chemical Society","2014","136","8","3108","","10.1021/ja411150e","","","0.71073","MoKα","","0.0206","0.0194","","","0.043","0.0433","","","","","","1.085","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120616","8.633","0.0013","8.633","0.0013","7.0832","0.0016","90","","90","","120","","457.18","0.14","298","2","298","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Al8.81 Au12.19 Sr3 -","- Al8.808 Au12.192 Sr3 -","- Al8.808 Au12.192 Sr3 -","1","0.0833333","","Palasyuk, Andriy; Grin, Yuri; Miller, Gordon J.","Turning Gold into ""Diamond"": A Family of Hexagonal Diamond-Type Au-Frameworks Interconnected by Triangular Clusters in the Sr-Al-Au System.","Journal of the American Chemical Society","2014","136","8","3108","","10.1021/ja411150e","","","0.71073","MoKα","","0.0257","0.0239","","","0.052","0.0529","","","","","","1.154","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120617","8.9424","0.0011","7.232","0.0004","9.9182","0.0014","90","","90","","90","","641.42","0.13","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Al1.95 Au5.05 Sr -","- Al1.948 Au5.052 Sr -","- Al7.792 Au20.208 Sr4 -","4","0.5","","Palasyuk, Andriy; Grin, Yuri; Miller, Gordon J.","Turning Gold into ""Diamond"": A Family of Hexagonal Diamond-Type Au-Frameworks Interconnected by Triangular Clusters in the Sr-Al-Au System.","Journal of the American Chemical Society","2014","136","8","3108","","10.1021/ja411150e","","","0.71073","MoKα","","0.0223","0.0193","","","0.0448","0.0457","","","","","","1.121","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120618","14.956","0.004","8.5641","0.0019","8.6718","0.001","90","","123.86","0.007","90","","922.3","0.3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Al1.67 Au7.33 Sr2 -","- Al1.676 Au7.324 Sr2 -","- Al6.704 Au29.296 Sr8 -","4","0.5","","Palasyuk, Andriy; Grin, Yuri; Miller, Gordon J.","Turning Gold into ""Diamond"": A Family of Hexagonal Diamond-Type Au-Frameworks Interconnected by Triangular Clusters in the Sr-Al-Au System.","Journal of the American Chemical Society","2014","136","8","3108","","10.1021/ja411150e","","","0.71073","MoKα","","0.0583","0.0469","","","0.1035","0.1076","","","","","","1.172","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120619","8.4475","0.0012","8.4475","0.0012","21.735","0.004","90","","90","","120","","1343.2","0.4","298","2","298","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Al2.82 Au6.18 Sr2 -","- Al2.817 Au6.183 Sr2 -","- Al16.902 Au37.098 Sr12 -","6","0.166667","","Palasyuk, Andriy; Grin, Yuri; Miller, Gordon J.","Turning Gold into ""Diamond"": A Family of Hexagonal Diamond-Type Au-Frameworks Interconnected by Triangular Clusters in the Sr-Al-Au System.","Journal of the American Chemical Society","2014","136","8","3108","","10.1021/ja411150e","","","0.71073","MoKα","","0.0515","0.0449","","","0.0981","0.1003","","","","","","1.178","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120620","13.9757","0.001","14.2207","0.0012","7.494","0.0006","90","","97.598","0.008","90","","1476.3","0.2","180","0.1","180","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Xia, Ying; Liu, Zhenxing; Liu, Zhen; Ge, Rui; Ye, Fei; Hossain, Mohammad; Zhang, Yan; Wang, Jianbo","Formal Carbene Insertion into C-C Bond: Rh(I)-Catalyzed Reaction of Benzocyclobutenols with Diazoesters.","Journal of the American Chemical Society","2014","136","8","3013","","10.1021/ja500118w","","","0.7107","MoKα","","0.0633","0.0441","","","0.1044","0.1171","","","","","","1.065","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120621","10.7148","0.0006","10.3476","0.0006","17.2186","0.0012","90","","97.936","0.006","90","","1890.8","0.2","180.01","0.1","180.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C96 H88 O12 -","4","1","","Xia, Ying; Liu, Zhenxing; Liu, Zhen; Ge, Rui; Ye, Fei; Hossain, Mohammad; Zhang, Yan; Wang, Jianbo","Formal Carbene Insertion into C-C Bond: Rh(I)-Catalyzed Reaction of Benzocyclobutenols with Diazoesters.","Journal of the American Chemical Society","2014","136","8","3013","","10.1021/ja500118w","","","0.7107","MoKα","","0.0711","0.0503","","","0.1071","0.1211","","","","","","1.062","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120622","11.7262","0.0005","10.4463","0.0004","14.7106","0.0007","90","","106.804","0.005","90","","1725.04","0.14","289.94","0.1","289.94","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C84 H88 O12 -","4","1","","Xia, Ying; Liu, Zhenxing; Liu, Zhen; Ge, Rui; Ye, Fei; Hossain, Mohammad; Zhang, Yan; Wang, Jianbo","Formal Carbene Insertion into C-C Bond: Rh(I)-Catalyzed Reaction of Benzocyclobutenols with Diazoesters.","Journal of the American Chemical Society","2014","136","8","3013","","10.1021/ja500118w","","","1.5418","CuKα","","0.0465","0.0395","","","0.1074","0.1145","","","","","","1.033","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120623","7.7727","0.0004","10.1494","0.0006","24.4112","0.0014","90","","90","","90","","1925.76","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CS-16069","hartwig45","","- C24 H22 Br N -","- C24 H22 Br N -","- C96 H88 Br4 N4 -","4","1","","Sevov, Christo S.; Zhou, Jianrong Steve; Hartwig, John F.","Iridium-Catalyzed, Intermolecular Hydroamination of Unactivated Alkenes with Indoles.","Journal of the American Chemical Society","2014","136","8","3200","","10.1021/ja412116d","","","0.71073","MoKα","","0.021","0.0194","","","0.0469","0.0477","","","","","","1.077","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4120624","8.306","0.005","6.569","0.004","21.01","0.011","90","","100.631","0.006","90","","1126.7","1.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 O3 -","- C28 H30 N2 O3 -","- C56 H60 N4 O6 -","2","1","","Lee, Kiyoun; Boger, Dale L.","Total Syntheses of (-)-Kopsifoline D and (-)-Deoxoapodine: Divergent Total Synthesis via Late-Stage Key Strategic Bond Formation.","Journal of the American Chemical Society","2014","136","8","3312","","10.1021/ja500548e","","","0.71073","MoKα","","0.1212","0.0675","","","0.1629","0.18","","","","","","0.872","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120625","6.6931","0.0009","18.67","0.002","18.714","0.002","90","","90","","90","","2338.5","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O2 S -","- C28 H30 N2 O2 S -","- C112 H120 N8 O8 S4 -","4","1","","Lee, Kiyoun; Boger, Dale L.","Total Syntheses of (-)-Kopsifoline D and (-)-Deoxoapodine: Divergent Total Synthesis via Late-Stage Key Strategic Bond Formation.","Journal of the American Chemical Society","2014","136","8","3312","","10.1021/ja500548e","","","0.71073","MoKα","","0.2126","0.0641","","","0.1202","0.1855","","","","","","0.856","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120626","7.7075","0.0003","12.7478","0.0006","25.5515","0.0011","90","","90","","90","","2510.53","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H0 N2 O4 -","- C29 H32 N2 O7 -","- C116 H128 N8 O28 -","4","1","","Lee, Kiyoun; Boger, Dale L.","Total Syntheses of (-)-Kopsifoline D and (-)-Deoxoapodine: Divergent Total Synthesis via Late-Stage Key Strategic Bond Formation.","Journal of the American Chemical Society","2014","136","8","3312","","10.1021/ja500548e","","","1.54178","CuKα","","0.0377","0.0366","","","0.0966","0.0976","","","","","","1.058","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120627","9.7575","0.0017","10.35","0.0018","11.999","0.002","90","","111.993","0.004","90","","1123.6","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 N2 O3 S -","- C27 H23 N2 O3 S -","- C54 H46 N4 O6 S2 -","2","1","","Gawade, Sagar Ashok; Huple, Deepak B.; Liu, Rai-Shung","Zn(II)- or Ag(I)-Catalyzed 1,4-Metathesis Reactions between 3-En-1-ynamides and Nitrosoarenes.","Journal of the American Chemical Society","2014","136","8","2978","","10.1021/ja412634w","","","0.71073","MoKα","","0.0697","0.0455","","","0.0858","0.0939","","","","","","1.007","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120628","10.4594","0.0011","11.0607","0.0012","18.1995","0.0019","77.313","0.005","85.045","0.005","63.691","0.005","1841.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Complex 2.OEt2","","","- C37 H59.5 N3.5 Nb O0.5 -","- C37 H59.66 N3.34 Nb O0.66 -","- C74 H119.32 N6.68 Nb2 O1.32 -","2","1","","Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John","Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.","Journal of the American Chemical Society","2014","136","8","2994","","10.1021/ja413194z","","","0.71073","MoKα","","0.0516","0.0415","","","0.0979","0.1033","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120629","12.5538","0.0012","16.438","0.0016","19.6288","0.0019","89.171","0.002","80.656","0.001","88.005","0.001","3994.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Complex 3","","","- C36 H59 N6 Nb Si -","- C36 H59 N6 Nb Si -","- C144 H236 N24 Nb4 Si4 -","4","2","","Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John","Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.","Journal of the American Chemical Society","2014","136","8","2994","","10.1021/ja413194z","","","0.71073","MoKα","","0.0504","0.0433","","","0.0965","0.0999","","","","","","1.142","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120630","24.042","0.003","18.1865","0.0019","17.3262","0.0017","90","","90","","90","","7575.7","1.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Complex 4","","","- C37 H59 N6 Nb -","- C37 H59 N6 Nb -","- C296 H472 N48 Nb8 -","8","2","","Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John","Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.","Journal of the American Chemical Society","2014","136","8","2994","","10.1021/ja413194z","","","0.71073","MoKα","","0.0641","0.0454","","","0.0976","0.1065","","","","","","1.032","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120631","12.7024","0.0006","21.4305","0.001","13.6706","0.0006","90","","93.776","0.002","90","","3713.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Complex 5","","","- C37 H59 N4 Nb -","- C37 H59 N4 Nb -","- C148 H236 N16 Nb4 -","4","1","","Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John","Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.","Journal of the American Chemical Society","2014","136","8","2994","","10.1021/ja413194z","","","0.71073","MoKα","","0.03","0.0269","","","0.064","0.0655","","","","","","1.07","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120632","11.1687","0.0004","17.714","0.0006","19.7346","0.0007","105.313","0.002","102.083","0.002","98.673","0.002","3593.3","0.2","76","2","76","2","","","","","","","","4","P -1","-P 1","2","Complex 6","","","- C37 H59 N4 Nb -","- C37 H59 N4 Nb -","- C148 H236 N16 Nb4 -","4","2","","Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John","Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.","Journal of the American Chemical Society","2014","136","8","2994","","10.1021/ja413194z","","","0.71073","MoKα","","0.0402","0.031","","","0.0684","0.0732","","","","","","1.071","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120633","11.4761","0.0008","17.2593","0.0012","21.9265","0.0014","90","","94.514","0.004","90","","4329.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Complex 7","","","- C45 H67 N4 Nb -","- C45 H67 N4 Nb -","- C180 H268 N16 Nb4 -","4","1","","Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John","Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.","Journal of the American Chemical Society","2014","136","8","2994","","10.1021/ja413194z","","","0.71073","MoKα","","0.0314","0.0257","","","0.0619","0.065","","","","","","1.044","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120634","12.1424","0.001","22.102","0.0019","15.9149","0.0013","90","","92.287","0.005","90","","4267.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Complex 8","","","- C45 H67 N4 Nb -","- C45 H67 N4 Nb -","- C180 H268 N16 Nb4 -","4","1","","Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John","Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.","Journal of the American Chemical Society","2014","136","8","2994","","10.1021/ja413194z","","","0.71073","MoKα","","0.0832","0.0529","","","0.0998","0.1148","","","","","","1.029","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120635","8.5881","0.0001","20.1695","0.0002","19.1928","0.0002","90","","92.38","0.001","90","","3321.66","0.06","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H34 B F10 P -","- C37.5 H34 B F10 P -","- C150 H136 B4 F40 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","1.54178","CuKα","","0.0573","0.0457","","","0.1297","0.1411","","","","","","1.005","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120636","11.3351","0.0006","11.4675","0.0004","17.6404","0.0005","87.588","0.004","77.145","0.003","61.359","0.003","1956.39","0.15","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H29 P -","- C22 H29 P -","- C88 H116 P4 -","4","2","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","1.54178","CuKα","","0.0509","0.0472","","","0.1294","0.1339","","","","","","1.066","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120637","14.7877","0.0006","14.8191","0.0015","18.9752","0.0016","90","","92.799","0.003","90","","4153.3","0.6","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H44 B F10 P -","- C44.5 H44 B F10 P -","- C178 H176 B4 F40 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","1.54178","CuKα","","0.1165","0.0679","","","0.1708","0.2075","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120638","10.2513","0.0002","10.7475","0.0002","14.2965","0.0003","91.802","0.001","101.483","0.001","93.419","0.001","1539.34","0.05","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 B F10 O P -","- C34 H30 B F10 O P -","- C68 H60 B2 F20 O2 P2 -","2","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0675","0.0643","","","0.185","0.1876","","","","","","1.063","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120639","11.0386","0.0002","10.5787","0.0002","13.2111","0.0002","90","","95.315","0.001","90","","1536.08","0.05","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H22 B F10 Fe P -","- C36 H22 B F10 Fe P -","- C72 H44 B2 F20 Fe2 P2 -","2","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0293","0.0286","","","0.0769","0.0783","","","","","","1.013","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120640","11.3753","0.0002","14.52","0.0002","17.6399","0.0003","90","","90","","90","","2913.57","0.08","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H41 Fe O3 P -","- C34 H41 Fe O3 P -","- C136 H164 Fe4 O12 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0455","0.0423","","","0.1","0.1034","","","","","","1.082","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120641","7.88","0.0001","9.68","0.0002","16.237","0.0003","90","","101.258","0.001","90","","1214.7","0.04","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H31 Fe O P -","- C29 H31 Fe O P -","- C58 H62 Fe2 O2 P2 -","2","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.028","0.0277","","","0.0724","0.073","","","","","","1.064","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120642","10.092","0.0002","15.3552","0.0003","16.1914","0.0003","90","","90","","90","","2509.1","0.08","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Fe P -","- C30 H33 Fe P -","- C120 H132 Fe4 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0476","0.044","","","0.107","0.1115","","","","","","1.098","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120643","8.8458","0.0002","20.3854","0.0003","24.0753","0.0006","90","","90","","90","","4341.38","0.16","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H46 B F10 Fe P -","- C47 H46 B F10 Fe P -","- C188 H184 B4 F40 Fe4 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.1194","0.084","","","0.1447","0.1666","","","","","","1.159","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120644","8.8713","0.0002","9.5648","0.0001","49.7807","0.0007","90","","90","","90","","4224","0.12","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C47 H39 B F10 Fe N P -","- C47 H39 B F10 Fe N P -","- C188 H156 B4 F40 Fe4 N4 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0737","0.0586","","","0.1278","0.1394","","","","","","1.045","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120645","9.9126","0.0001","26.8254","0.0003","49.04","0.0006","90","","90","","90","","13040.2","0.3","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C47 H43 B F10 Fe N P -","- C47 H43 B F10 Fe N P -","- C564 H516 B12 F120 Fe12 N12 P12 -","12","3","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.1361","0.0817","","","0.1459","0.1747","","","","","","1.054","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120646","11.5309","0.0001","18.6255","0.0002","23.0996","0.0004","90","","90","","90","","4961.07","0.11","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H50 B F10 Fe P -","- C58 H50 B F10 Fe P -","- C232 H200 B4 F40 Fe4 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0692","0.0594","","","0.1194","0.1276","","","","","","1.062","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120647","10.8786","0.001","12.5301","0.001","22.1389","0.0018","90","","98.988","0.005","90","","2980.7","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 N4 -","- C38 H40 N4 -","- C152 H160 N16 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.1686","0.0686","","","0.1331","0.1755","","","","","","0.999","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120648","19.9123","0.0012","11.0521","0.0007","19.7629","0.0012","90","","103.857","0.001","90","","4222.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 Cl F10 N6 -","- C44 H45 Cl F10 N6 -","- C176 H180 Cl4 F40 N24 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.1068","0.0559","","","0.1148","0.1461","","","","","","0.988","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120649","40.8091","0.0018","10.2663","0.0004","19.3106","0.0008","90","","117.971","0.003","90","","7145.3","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 N8 O8 -","- C38 H36 N8 O8 -","- C304 H288 N64 O64 -","8","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0639","0.0507","","","0.1399","0.1535","","","","","","1.038","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120650","12.455","0.0003","12.1362","0.0003","13.8791","0.0004","90","","104.608","0.001","90","","2030.1","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 N10 O8 -","- C42 H42 N10 O8 -","- C84 H84 N20 O16 -","2","0.5","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0529","0.0437","","","0.1218","0.1307","","","","","","1.042","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120651","26.445","0.005","29.271","0.005","6.4052","0.0016","90","","90","","90","","4958.1","1.8","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C15 H15 N3 -","- C15 H15 N3 -","- C240 H240 N48 -","16","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0697","0.059","","","0.1459","0.1533","","","","","","1.073","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120652","15.485","0.002","17.588","0.002","10.7656","0.0016","90","","109.139","0.009","90","","2769.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Br N2 -","- C16 H15 Br N2 -","- C128 H120 Br8 N16 -","8","2","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.1994","0.0825","","","0.1694","0.2137","","","","","","0.965","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120653","21.282","0.002","17.2226","0.0015","15.5673","0.0014","90","","108.712","0.002","90","","5404.3","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H77 Br N8 O4 -","- C56 H77 Br N8 O4 -","- C224 H308 Br4 N32 O16 -","4","0.5","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0622","0.0414","","","0.1042","0.1139","","","","","","1.031","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120654","10.9585","0.0009","11.1069","0.0008","16.6867","0.0015","78.438","0.004","77.178","0.004","75.91","0.004","1897.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H44 Br2 N6 -","- C42 H44 Br2 N6 -","- C84 H88 Br4 N12 -","2","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.1103","0.0675","","","0.1554","0.1741","","","","","","1.076","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120655","17.3174","0.0009","11.0464","0.0005","20.6877","0.0009","90","","101.035","0.002","90","","3884.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.8 H33.6 Cl3.6 F10 N4 -","- C39.8 H33.6 Cl3.6 F10 N4 -","- C159.2 H134.4 Cl14.4 F40 N16 -","4","0.5","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0854","0.0612","","","0.1633","0.1811","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120656","11.8894","0.0009","11.8311","0.001","14.1611","0.0012","90","","103.366","0.003","90","","1938","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 F10 N6 -","- C42 H36 F10 N6 -","- C84 H72 F20 N12 -","2","0.5","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0473","0.0392","","","0.1111","0.1174","","","","","","1.03","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120657","10.6399","0.0006","24.5713","0.0013","11.5358","0.0006","90","","92.741","0.003","90","","3012.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N4 O4 -","- C16 H14 N4 O4 -","- C128 H112 N32 O32 -","8","2","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0653","0.0516","","","0.1384","0.1509","","","","","","1.032","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120658","19.684","0.002","11.1411","0.0014","19.52","0.002","90","","99.53","0.003","90","","4221.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H41 Br F10 N6 -","- C44 H41 Br F10 N6 -","- C176 H164 Br4 F40 N24 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.1208","0.0851","","","0.1946","0.2205","","","","","","1.029","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120659","10.0512","0.0008","10.709","0.0009","11.1899","0.0009","109.207","0.002","102.04","0.002","93.042","0.002","1102.7","0.16","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H51 Br N10 O8 -","- C44 H51 Br N10 O8 -","- C44 H51 Br N10 O8 -","1","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0505","0.0476","","","0.1223","0.1246","","","","","","1.03","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120660","10.4344","0.0003","28.1432","0.0009","13.8084","0.0004","90","","90.98","0.001","90","","4054.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 N4 O4 -","- C46 H56 N4 O4 -","- C184 H224 N16 O16 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0814","0.061","","","0.1589","0.1731","","","","","","1.034","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120661","14.492","0.002","15.192","0.002","20.462","0.003","84.139","0.003","71.702","0.002","85.832","0.003","4250.9","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H59 Cl N6 O2 -","- C46 H59 Cl N6 O2 -","- C184 H236 Cl4 N24 O8 -","4","2","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.1813","0.0768","","","0.1493","0.1963","","","","","","0.979","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120662","12.4523","0.0007","19.2145","0.0011","17.6399","0.0009","90","","93.479","0.003","90","","4212.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H53 Br2 Cl N6 -","- C44 H53 Br2 Cl N6 -","- C176 H212 Br8 Cl4 N24 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0458","0.0328","","","0.0882","0.0938","","","","","","1.029","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120663","10.7531","0.0006","19.8526","0.0013","21.1338","0.0011","90","","96.105","0.002","90","","4486","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H54 Cl N9 O9 -","- C45 H54 Cl N9 O9 -","- C180 H216 Cl4 N36 O36 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0743","0.0493","","","0.1303","0.1462","","","","","","1.037","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120664","19.646","0.002","11.2296","0.0014","19.645","0.002","90","","99.022","0.003","90","","4280.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 F10 I N6 -","- C44 H45 F10 I N6 -","- C176 H180 F40 I4 N24 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0455","0.0399","","","0.1027","0.1065","","","","","","1.038","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120665","12.2705","0.0005","10.5841","0.0006","27.6226","0.0006","90","","93.39","","90","","3581.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H41 Br2 N5 -","- C40 H41 Br2 N5 -","- C160 H164 Br8 N20 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.113","0.0523","","","0.11","0.1209","","","","","","0.86","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120666","22.628","0.003","22.198","0.003","41.504","0.006","90","","90","","90","","20847","5","90","2","90","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C130 H192 Cl2 N43.67 O61.1 P2 Pd6 Pt Si2 -","- C130 H192 Cl2 N43.678 O61.063 P2 Pd6 Pt Si2 -","- C520 H768 Cl8 N174.712 O244.252 P8 Pd24 Pt4 Si8 -","4","0.5","","Kohyama, Yuh; Murase, Takashi; Fujita, Makoto","Metal-Organic Proximity in a Synthetic Pocket.","Journal of the American Chemical Society","2014","136","8","2966","","10.1021/ja412582k","","","0.71073","MoKα","","0.0999","0.0744","","","0.2045","0.2232","","","","","","1.104","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120667","10.136","0.0006","10.9801","0.0009","25.322","0.002","90","","90","","90","","2818.2","0.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 Al Cl2 N2 O2 -","- C29 H39 Al Cl2 N2 O2 -","- C116 H156 Al4 Cl8 N8 O8 -","4","1","","Pilone, Alessia; Press, Konstantin; Goldberg, Israel; Kol, Moshe; Mazzeo, Mina; Lamberti, Marina","Gradient Isotactic Multiblock Polylactides from Aluminum Complexes of Chiral Salalen Ligands.","Journal of the American Chemical Society","2014","136","8","2940","","10.1021/ja412798x","","","0.71073","MoKα","","0.0521","0.0449","","","0.1134","0.1196","","","","","","1.032","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120668","18.26","0.002","20.91","0.003","27.801","0.003","90","","93.071","0.002","90","","10600","2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C146 H168 Cu4 F24 Ir8 N16 O54 S8 -","- C142 H152 Cu4 F12 Ir8 N16 O42 S4 -","- C284 H304 Cu8 F24 Ir16 N32 O84 S8 -","2","0.5","","Li, Hao; Han, Ying-Feng; Lin, Yue-Jian; Guo, Zi-Wei; Jin, Guo-Xin","Stepwise Construction of Discrete Heterometallic Coordination Cages Based on Self-Sorting Strategy.","Journal of the American Chemical Society","2014","136","8","2982","","10.1021/ja412667t","","","0.71073","MoKα","","0.1397","0.0779","","","0.2031","0.2302","","","","","","0.967","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120669","34.111","0.006","34.111","0.006","22.396","0.004","90","","90","","90","","26059","8","173","2","173","2","","","","","","","","8","P -4 n 2","P -4 -2n","118","","","","- C192 H348 Cu4 F24 Ir8 N16 O114 S8 -","- C166 H168 Cu4 F18 Ir8 N16 O46 S6 -","- C664 H672 Cu16 F72 Ir32 N64 O184 S24 -","4","0.5","","Li, Hao; Han, Ying-Feng; Lin, Yue-Jian; Guo, Zi-Wei; Jin, Guo-Xin","Stepwise Construction of Discrete Heterometallic Coordination Cages Based on Self-Sorting Strategy.","Journal of the American Chemical Society","2014","136","8","2982","","10.1021/ja412667t","","","0.71073","MoKα","","0.0892","0.0691","","","0.1577","0.1674","","","","","","1.047","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120670","29.4297","0.0007","24.1596","0.0006","31.8628","0.0009","90","","90","","90","","22654.8","1","173","2","173","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C148 H172 Ag2 Cu4 F30 Ir8 N16 O62 S10 -","- C146 H152 Ag2 Cu4 F24 Ir8 N16 O56 S8 -","- C584 H608 Ag8 Cu16 F96 Ir32 N64 O224 S32 -","4","0.5","","Li, Hao; Han, Ying-Feng; Lin, Yue-Jian; Guo, Zi-Wei; Jin, Guo-Xin","Stepwise Construction of Discrete Heterometallic Coordination Cages Based on Self-Sorting Strategy.","Journal of the American Chemical Society","2014","136","8","2982","","10.1021/ja412667t","","","1.54178","CuKα","","0.1009","0.0728","","","0.1942","0.2109","","","","","","1.065","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120671","18.2183","0.0008","21.039","0.0009","27.5149","0.0011","90","","92.989","0.003","90","","10532","0.8","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C156 H188 F24 Ir8 N20 Ni4 O58 S8 -","- C156 H160 F24 Ir8 N20 Ni4 O58 S8 -","- C312 H320 F48 Ir16 N40 Ni8 O116 S16 -","2","0.5","","Li, Hao; Han, Ying-Feng; Lin, Yue-Jian; Guo, Zi-Wei; Jin, Guo-Xin","Stepwise Construction of Discrete Heterometallic Coordination Cages Based on Self-Sorting Strategy.","Journal of the American Chemical Society","2014","136","8","2982","","10.1021/ja412667t","","","1.54178","CuKα","","0.1365","0.0925","","","0.2356","0.2676","","","","","","0.961","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120672","15.892","0.004","32.88","0.008","20.486","0.005","90","","94.06","0.005","90","","10678","5","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C162 H206 Ag2 F30 Ir8 N18 O66 S10 Zn4 -","- C162 H158 Ag2 F30 Ir8 N18 O66 S10 Zn4 -","- C324 H316 Ag4 F60 Ir16 N36 O132 S20 Zn8 -","2","0.5","","Li, Hao; Han, Ying-Feng; Lin, Yue-Jian; Guo, Zi-Wei; Jin, Guo-Xin","Stepwise Construction of Discrete Heterometallic Coordination Cages Based on Self-Sorting Strategy.","Journal of the American Chemical Society","2014","136","8","2982","","10.1021/ja412667t","","","0.71073","MoKα","","0.113","0.0605","","","0.1517","0.1779","","","","","","1.007","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120673","14.6099","0.0007","7.1043","0.0003","22.2579","0.001","90","","95.823","0.003","90","","2298.3","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 B F4 N5 Pt -","- C24 H26 B F4 N5 Pt -","- C96 H104 B4 F16 N20 Pt4 -","4","1","","Krikorian, Markrete; Liu, Shuang; Swager, Timothy M.","Columnar Liquid Crystallinity and Mechanochromism in Cationic Platinum(II) Complexes.","Journal of the American Chemical Society","2014","136","8","2952","","10.1021/ja4114352","","","1.54178","CuKα","","0.1166","0.0938","","","0.2349","0.2535","","","","","","1.11","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120674","10.1495","0.0011","10.3634","0.0005","12.2788","0.0013","92.766","0.005","107.648","0.006","98.821","0.005","1210","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 B N Si2 -","- C22 H28 B N Si2 -","- C44 H56 B2 N2 Si4 -","2","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Borole formation by 1,1-carboboration.","Journal of the American Chemical Society","2014","136","1","68","71","10.1021/ja4110396","","","1.54178","CuKα","","0.0456","0.0418","","","0.1126","0.1161","","","","","","1.042","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120675","11.1344","0.0005","11.8923","0.0005","17.9487","0.0007","91.256","0.002","98.181","0.002","104.156","0.002","2277.04","0.17","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H33 B2 F15 N2 Si2 -","- C45 H33 B2 F15 N2 Si2 -","- C90 H66 B4 F30 N4 Si4 -","2","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Borole formation by 1,1-carboboration.","Journal of the American Chemical Society","2014","136","1","68","71","10.1021/ja4110396","","","1.54178","CuKα","","0.0567","0.0499","","","0.1286","0.1331","","","","","","1.013","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120676","21.0316","0.0004","14.0496","0.0002","14.0809","0.0002","90","","103.671","0.001","90","","4042.83","0.11","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 B2 F15 N Si2 -","- C40 H28 B2 F15 N Si2 -","- C160 H112 B8 F60 N4 Si8 -","4","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Borole formation by 1,1-carboboration.","Journal of the American Chemical Society","2014","136","1","68","71","10.1021/ja4110396","","","0.71073","MoKα","","0.1261","0.0803","","","0.1326","0.1559","","","","","","1.081","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120677","11.6645","0.0004","12.2645","0.0005","18.5329","0.0007","108.563","0.002","96.887","0.002","98.819","0.002","2443.04","0.16","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H33 B2 F15 Si2 -","- C40 H33 B2 F15 Si2 -","- C80 H66 B4 F30 Si4 -","2","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Borole formation by 1,1-carboboration.","Journal of the American Chemical Society","2014","136","1","68","71","10.1021/ja4110396","","","1.54178","CuKα","","0.0601","0.0494","","","0.1409","0.1489","","","","","","1.068","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120678","10.8632","0.0004","11.8992","0.0006","14.8632","0.0009","81.215","0.004","84.155","0.003","68.825","0.003","1768.26","0.16","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H23 B2 F15 Si2 -","- C34 H23 B2 F15 Si2 -","- C68 H46 B4 F30 Si4 -","2","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Borole formation by 1,1-carboboration.","Journal of the American Chemical Society","2014","136","1","68","71","10.1021/ja4110396","","","1.54178","CuKα","","0.0744","0.0481","","","0.117","0.1328","","","","","","1.028","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120679","7.1747","0.0002","7.9625","0.0003","8.5502","0.0003","69.509","0.001","84.347","0.001","75.715","0.001","443.37","0.03","100","2","99.99","","","","","","","","","4","P 1","P 1","1","","","","- C18 H21 O6 P -","- C18 H21 O6 P -","- C18 H21 O6 P -","1","1","","Jang, Ki Po; Hutson, Gerri E.; Johnston, Ryne C.; McCusker, Elizabeth O.; Cheong, Paul H.-Y.; Scheidt, Karl A.","Asymmetric Homoenolate Additions to Acyl Phosphonates through Rational Design of a Tailored N-Heterocyclic Carbene Catalyst.","Journal of the American Chemical Society","2014","136","1","76","79","10.1021/ja410932t","","","1.54178","CuKα","","0.0283","0.0283","","","0.0757","0.0759","","","","","","1.054","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120680","16.9057","0.0006","10.5686","0.0004","21.5417","0.001","90","","101.02","0.0017","90","","3777.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H58 Ge O4 Si3 W -","- C32 H58 Ge O4 Si3 W -","- C128 H232 Ge4 O16 Si12 W4 -","4","1","","Fukuda, Tetsuya; Hashimoto, Hisako; Tobita, Hiromi","Reactions of a Tungsten-Germylyne Complex with α,β-Unsaturated Ketones: Complete Cleavage of the W≡Ge Bond and Formation of Two Types of η(3)-Germoxyallyl Tungsten Complexes.","Journal of the American Chemical Society","2014","136","1","80","83","10.1021/ja4109853","","","0.71069","MoKα","","0.0585","0.0481","","","0.0994","0.111","","","","","","1.264","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120681","8.9578","0.0007","9.0925","0.0007","21.22","0.0017","81.533","0.006","78.365","0.006","76.447","0.005","1636.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H50 Ge O3 Si3 W -","- C27 H50 Ge O3 Si3 W -","- C54 H100 Ge2 O6 Si6 W2 -","2","1","","Fukuda, Tetsuya; Hashimoto, Hisako; Tobita, Hiromi","Reactions of a Tungsten-Germylyne Complex with α,β-Unsaturated Ketones: Complete Cleavage of the W≡Ge Bond and Formation of Two Types of η(3)-Germoxyallyl Tungsten Complexes.","Journal of the American Chemical Society","2014","136","1","80","83","10.1021/ja4109853","","","0.71075","MoKα","","0.0329","0.0277","","","0.0583","0.06","","","","","","1.031","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120682","9.722","0.0009","16.2451","0.0016","21.645","0.002","98.61","0.004","100.124","0.004","94.125","0.004","3310.4","0.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O3 S -","- C17 H18 N2 O3 S -","- C136 H144 N16 O24 S8 -","8","4","","Chuprakov, Stepan; Worrell, Brady T.; Selander, Nicklas; Sit, Rakesh K.; Fokin, Valery V.","Stereoselective 1,3-Insertions of Rhodium(II) Azavinyl Carbenes.","Journal of the American Chemical Society","2014","136","1","195","202","10.1021/ja408185c","","","0.71073","MoKα","","0.04","0.0321","","","0.0789","0.0839","","","","","","1.047","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120683","10.5744","0.0007","10.7434","0.0007","12.6461","0.0009","74.312","0.003","71.548","0.003","79.44","0.003","1304.51","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 Cl2 N O3 S -","- C27 H27 Cl2 N O3 S -","- C54 H54 Cl4 N2 O6 S2 -","2","1","","Chuprakov, Stepan; Worrell, Brady T.; Selander, Nicklas; Sit, Rakesh K.; Fokin, Valery V.","Stereoselective 1,3-Insertions of Rhodium(II) Azavinyl Carbenes.","Journal of the American Chemical Society","2014","136","1","195","202","10.1021/ja408185c","","","0.71073","MoKα","","0.049","0.0429","","","0.1069","0.1116","","","","","","1.021","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120684","5.0497","0.0005","9.2653","0.001","13.2307","0.0016","90","","98.504","0.007","90","","612.22","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O4 S -","- C11 H14 N2 O4 S -","- C22 H28 N4 O8 S2 -","2","1","","Chuprakov, Stepan; Worrell, Brady T.; Selander, Nicklas; Sit, Rakesh K.; Fokin, Valery V.","Stereoselective 1,3-Insertions of Rhodium(II) Azavinyl Carbenes.","Journal of the American Chemical Society","2014","136","1","195","202","10.1021/ja408185c","","","0.71073","MoKα","","0.0451","0.0373","","","0.0803","0.0838","","","","","","1.024","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120685","11.3703","0.0005","18.4887","0.001","13.6456","0.0008","90","","113.629","0.003","90","","2628.1","0.2","143","2","416","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H55 Cl O8 P2 Pd -","- C56 H55 Cl O8 P2 Pd -","- C112 H110 Cl2 O16 P4 Pd2 -","2","1","","Wang, Xiaoming; Guo, Peihua; Han, Zhaobin; Wang, Xubin; Wang, Zheng; Ding, Kuiling","Spiroketal-based diphosphine ligands in pd-catalyzed asymmetric allylic amination of morita-baylis-hillman adducts: exceptionally high efficiency and new mechanism.","Journal of the American Chemical Society","2014","136","1","405","411","10.1021/ja410707q","","","1.54178","CuKα","","0.1837","0.0896","","","0.2273","0.2672","","","","","","0.932","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120686","9.7484","0.0007","19.9815","0.0015","25.907","0.0019","90","","90","","90","","5046.4","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H55 Cl O2 P2 Pd -","- C59 H55 Cl O2 P2 Pd -","- C236 H220 Cl4 O8 P8 Pd4 -","4","1","","Wang, Xiaoming; Guo, Peihua; Han, Zhaobin; Wang, Xubin; Wang, Zheng; Ding, Kuiling","Spiroketal-based diphosphine ligands in pd-catalyzed asymmetric allylic amination of morita-baylis-hillman adducts: exceptionally high efficiency and new mechanism.","Journal of the American Chemical Society","2014","136","1","405","411","10.1021/ja410707q","","","0.71073","MoKα","","0.0349","0.0311","","","0.0744","0.0761","","","","","","1.036","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120687","7.5337","0.0013","17.205","0.003","27.444","0.005","90","","90","","90","","3557.2","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H38 O2 P2 -","- C44 H38 O2 P2 -","- C176 H152 O8 P8 -","4","1","","Wang, Xiaoming; Guo, Peihua; Han, Zhaobin; Wang, Xubin; Wang, Zheng; Ding, Kuiling","Spiroketal-based diphosphine ligands in pd-catalyzed asymmetric allylic amination of morita-baylis-hillman adducts: exceptionally high efficiency and new mechanism.","Journal of the American Chemical Society","2014","136","1","405","411","10.1021/ja410707q","","","0.71073","MoKα","","0.0597","0.0436","","","0.0949","0.1029","","","","","","0.998","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120688","9.4609","0.0007","21.4594","0.0017","22.4518","0.0017","90","","90","","90","","4558.3","0.6","140","2","140","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H47 Br Cl4 O2 P2 Pd -","- C49 H47 Br Cl4 O2 P2 Pd -","- C196 H188 Br4 Cl16 O8 P8 Pd4 -","4","1","","Wang, Xiaoming; Guo, Peihua; Han, Zhaobin; Wang, Xubin; Wang, Zheng; Ding, Kuiling","Spiroketal-based diphosphine ligands in pd-catalyzed asymmetric allylic amination of morita-baylis-hillman adducts: exceptionally high efficiency and new mechanism.","Journal of the American Chemical Society","2014","136","1","405","411","10.1021/ja410707q","","","0.71073","MoKα","","0.057","0.0436","","","0.1023","0.1082","","","","","","1.008","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120689","9.2918","0.0008","20.1508","0.0017","25.42","0.002","90","","90","","90","","4759.6","0.7","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 Cl2 O2 P2 Pd -","- C58 H54 Cl2 O2 P2 Pd -","- C232 H216 Cl8 O8 P8 Pd4 -","4","1","","Wang, Xiaoming; Guo, Peihua; Han, Zhaobin; Wang, Xubin; Wang, Zheng; Ding, Kuiling","Spiroketal-based diphosphine ligands in pd-catalyzed asymmetric allylic amination of morita-baylis-hillman adducts: exceptionally high efficiency and new mechanism.","Journal of the American Chemical Society","2014","136","1","405","411","10.1021/ja410707q","","","0.71073","MoKα","","0.0297","0.0258","","","0.0599","0.0621","","","","","","1.015","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120690","9.7151","0.0014","15.526","0.002","17.882","0.003","90","","103.757","0.005","90","","2619.9","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Au N4 O3 S -","- C27 H31 Au N4 O3 S -","- C108 H124 Au4 N16 O12 S4 -","4","1","","Ball, Liam T.; Lloyd-Jones, Guy C; Russell, Christopher A.","Gold-Catalyzed Oxidative Coupling of Arylsilanes and Arenes: Origin of Selectivity and Improved Precatalyst.","Journal of the American Chemical Society","2014","136","1","254","264","10.1021/ja408712e","","","1.54178","CuKα","","0.0445","0.0431","","","0.1157","0.1178","","","","","","1.055","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120691","17.133","0.0006","7.1093","0.0003","17.3925","0.0006","90","","116.397","0.002","90","","1897.59","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 Au Br3 S -","- C4 H8 Au Br3 S -","- C32 H64 Au8 Br24 S8 -","8","2","","Ball, Liam T.; Lloyd-Jones, Guy C; Russell, Christopher A.","Gold-Catalyzed Oxidative Coupling of Arylsilanes and Arenes: Origin of Selectivity and Improved Precatalyst.","Journal of the American Chemical Society","2014","136","1","254","264","10.1021/ja408712e","","","0.71073","MoKα","","0.0213","0.0164","","","0.0398","0.0434","","","","","","1.081","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120692","15.493","0.004","17.157","0.004","21.556","0.005","82.13","0.003","73.244","0.003","64.983","0.003","4971","2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","lsw30jun13a","","","- C96 H108 Au11 P6 -","- C96 H108 Au11 P6 -","- C192 H216 Au22 P12 -","2","1","","Chen, Jing; Zhang, Qian-Fan; Bonaccorso, Timary A.; Williard, Paul G.; Wang, Lai-Sheng","Controlling gold nanoclusters by diphospine ligands.","Journal of the American Chemical Society","2014","136","1","92","95","10.1021/ja411061e","","","0.7749","","","0.1545","0.088","","","0.2253","0.2768","","","","","","0.979","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120693","4.3886","0.0001","13.3722","0.0003","15.5729","0.0004","90","","90","","90","","913.9","0.04","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 Cu N2 O3 -","- C10 H8 Cu N2 O3 -","- C40 H32 Cu4 N8 O12 -","4","1","","Zhang, Teng; Wang, Cheng; Liu, Shubin; Wang, Jin-Liang; Lin, Wenbin","A biomimetic copper water oxidation catalyst with low overpotential.","Journal of the American Chemical Society","2014","136","1","273","281","10.1021/ja409267p","","","1.54178","CuKα","","0.0414","0.0386","","","0.1115","0.1154","","","","","","0.992","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120694","14.2771","0.0017","5.5968","0.0004","14.1592","0.0013","90","","90","","90","","1131.41","0.19","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Ba3 Cl O10 P3 -","- Ba3 Cl O10 P3 -","- Ba12 Cl4 O40 P12 -","4","1","","Yu, Peng; Wu, Li-Ming; Zhou, Liu-Jiang; Chen, Ling","Deep-Ultraviolet Nonlinear Optical Crystals: Ba3P3O10X (X = Cl, Br).","Journal of the American Chemical Society","2014","136","1","480","487","10.1021/ja411272y","","","0.71073","MoKα","","0.0358","0.029","","","0.0451","0.0477","","","","","","1.148","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120695","7.1722","0.0018","11.364","0.003","13.998","0.004","90","","90","","90","","1140.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Ba3 Br O10 P3 -","- Ba3 Br O10 P3 -","- Ba12 Br4 O40 P12 -","4","1","","Yu, Peng; Wu, Li-Ming; Zhou, Liu-Jiang; Chen, Ling","Deep-Ultraviolet Nonlinear Optical Crystals: Ba3P3O10X (X = Cl, Br).","Journal of the American Chemical Society","2014","136","1","480","487","10.1021/ja411272y","","","0.71073","MoKα","","0.0329","0.0328","","","0.0707","0.0708","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120696","23.329","0.002","18.055","0.003","25.448","0.003","90","","114.892","0.008","90","","9723","2","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C184 H160 F48 N40 O8 P8 Ru8 -","- C184 H160 F48 N40 O8 P8 Ru8 -","- C368 H320 F96 N80 O16 P16 Ru16 -","2","0.25","","Neudeck, Sven; Maji, Somnath; López, Isidoro; Meyer, Steffen; Meyer, Franc; Llobet, Antoni","New powerful and oxidatively rugged dinuclear ru water oxidation catalyst: control of mechanistic pathways by tailored ligand design.","Journal of the American Chemical Society","2014","136","1","24","27","10.1021/ja409974b","","","0.71073","MoKα","","0.072","0.0369","","","0.0689","0.0753","","","","","","0.853","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120697","12.7175","0.0003","18.84","0.0005","21.7489","0.0006","91.46","0.002","105.661","0.002","92.752","0.002","5007.7","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H78 K N3 O6 S Si6 U -","- C30 H78 K N3 O6 S Si6 U -","- C120 H312 K4 N12 O24 S4 Si24 U4 -","4","2","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.","Journal of the American Chemical Society","2014","136","1","96","99","10.1021/ja411423a","","","0.71073","MoKα","","0.0391","0.025","","","0.0539","0.0568","","","","","","0.901","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120698","11.2243","0.0003","16.4779","0.0004","32.1639","0.0008","90","","91.774","0.002","90","","5946","0.3","104","2","104","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H95 K N5 O6.5 S Si6 U -","- C38 H54 K N5 O6.5 S Si6 U -","- C152 H216 K4 N20 O26 S4 Si24 U4 -","4","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.","Journal of the American Chemical Society","2014","136","1","96","99","10.1021/ja411423a","","","0.71073","MoKα","","0.0692","0.0512","","","0.1473","0.1593","","","","","","1.148","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120699","11.0235","0.0007","12.7783","0.0008","18.3992","0.0012","91.254","0.004","93.268","0.004","106.365","0.004","2480.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H78 K N3 O7 Si6 U -","- C30 H60 K N3 O7 Si6 U -","- C60 H120 K2 N6 O14 Si12 U2 -","2","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.","Journal of the American Chemical Society","2014","136","1","96","99","10.1021/ja411423a","","","0.71073","MoKα","","0.0583","0.0535","","","0.1277","0.1297","","","","","","1.1","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120700","11.7031","0.0004","12.7108","0.0004","17.4991","0.0007","90.802","0.002","92.647","0.002","96.274","0.002","2584.26","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H79 N3 O2 Si6 U -","- C41 H79 N3 O2 Si6 U -","- C82 H158 N6 O4 Si12 U2 -","2","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.","Journal of the American Chemical Society","2014","136","1","96","99","10.1021/ja411423a","","","0.71073","MoKα","","0.042","0.0345","","","0.1257","0.1316","","","","","","1.057","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120701","12.4741","0.0004","12.5528","0.0004","12.8731","0.0004","87.589","0.002","67.196","0.002","86.878","0.002","1854.94","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H110 K2 O16 -","- C78 H82 K2 O16 -","- C78 H82 K2 O16 -","1","0.5","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.","Journal of the American Chemical Society","2014","136","1","96","99","10.1021/ja411423a","","","0.71073","MoKα","","0.1144","0.0794","","","0.1664","0.1691","","","","","","3.496","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120702","15.8489","0.0017","34.478","0.004","11.8844","0.0013","90","","90","","90","","6494.1","1.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C53 H102 Li N4 O8 Si6 U -","- C53 H102 Li N4 O8 Si6 U -","- C212 H408 Li4 N16 O32 Si24 U4 -","4","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.","Journal of the American Chemical Society","2014","136","1","96","99","10.1021/ja411423a","","","0.71073","MoKα","","0.064","0.0406","","","0.0644","0.0697","","","","","","1.027","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120703","17.919","0.002","15.3943","0.0015","9.6893","0.0012","90","","90","","90","","2672.8","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C104 H152 N24 O16 -","8","1","","Kim, Sung Kuk; Lim, Jong Min; Pradhan, Tuhin; Jung, Hyo Sung; Lynch, Vincent M.; Kim, Jong Seung; Kim, Dongho; Sessler, Jonathan L.","Self-association and nitroaromatic-induced deaggregation of pyrene substituted pyridine amides.","Journal of the American Chemical Society","2014","136","1","495","505","10.1021/ja411672f","","","0.71075","MoKα","","0.1167","0.0935","","","0.1839","0.1971","","","","","","1.115","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120704","27.8949","0.001","27.8949","0.001","16.4272","0.0007","90","","90","","90","","12782.4","0.8","153","2","153","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C42 H31 N3 O3 -","- C41 H27 N3 O2 -","- C656 H432 N48 O32 -","16","1","","Kim, Sung Kuk; Lim, Jong Min; Pradhan, Tuhin; Jung, Hyo Sung; Lynch, Vincent M.; Kim, Jong Seung; Kim, Dongho; Sessler, Jonathan L.","Self-association and nitroaromatic-induced deaggregation of pyrene substituted pyridine amides.","Journal of the American Chemical Society","2014","136","1","495","505","10.1021/ja411672f","","","0.7107","MoKα","","0.1475","0.0745","","","0.1451","0.153","","","","","","1.711","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120705","9.882","0.0004","10.053","0.0005","21.2051","0.0009","81.036","0.001","78.409","0.001","62.916","0.001","1832.33","0.14","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H30 N6 O8 -","- C47 H30 N6 O8 -","- C94 H60 N12 O16 -","2","1","","Kim, Sung Kuk; Lim, Jong Min; Pradhan, Tuhin; Jung, Hyo Sung; Lynch, Vincent M.; Kim, Jong Seung; Kim, Dongho; Sessler, Jonathan L.","Self-association and nitroaromatic-induced deaggregation of pyrene substituted pyridine amides.","Journal of the American Chemical Society","2014","136","1","495","505","10.1021/ja411672f","","","0.71069","MoKα","","0.1056","0.0534","","","0.1117","0.1363","","","","","","1.011","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120706","8.4734","0.0015","8.5039","0.0015","19.304","0.003","79.287","0.003","79.415","0.003","89.781","0.003","1342.8","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C56 H80 N8 O8 -","4","2","","Kim, Sung Kuk; Lim, Jong Min; Pradhan, Tuhin; Jung, Hyo Sung; Lynch, Vincent M.; Kim, Jong Seung; Kim, Dongho; Sessler, Jonathan L.","Self-association and nitroaromatic-induced deaggregation of pyrene substituted pyridine amides.","Journal of the American Chemical Society","2014","136","1","495","505","10.1021/ja411672f","","","0.71075","MoKα","","0.0663","0.0578","","","0.1437","0.1476","","","","","","1.188","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120707","20.7465","0.0006","11.7265","0.0004","7.8125","0.0003","90","","90","","90","","1900.65","0.11","123","1","123","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H23 Cl Ho O3 P -","- C16 H23 Cl Ho O3 P -","- C64 H92 Cl4 Ho4 O12 P4 -","4","1","","Stephan Salzinger; Benedikt S. Soller; Andriy Plikhta; Uwe B. Seemann; Eberhardt Herdtweck; Bernhard Rieger","Mechanistic Studies on Initiation and Propagation of Rare Earth Metal-Mediated Group Transfer Polymerization of Vinylphosphonates","Journal of the American Chemical Society","2013","135","","13030","13040","10.1021/ja404457f","","","0.71073","MoKα","","0.0145","0.0144","","","0.0369","0.0369","","","","","","1.197","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120708","20.7504","0.0007","11.7361","0.0004","7.8075","0.0003","90","","90","","90","","1901.35","0.12","153","1","153","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H23 Cl O3 P Yb -","- C16 H23 Cl O3 P Yb -","- C64 H92 Cl4 O12 P4 Yb4 -","4","1","","Stephan Salzinger; Benedikt S. Soller; Andriy Plikhta; Uwe B. Seemann; Eberhardt Herdtweck; Bernhard Rieger","Mechanistic Studies on Initiation and Propagation of Rare Earth Metal-Mediated Group Transfer Polymerization of Vinylphosphonates","Journal of the American Chemical Society","2013","135","","13030","13040","10.1021/ja404457f","","","0.71073","MoKα","","0.0143","0.0142","","","0.0373","0.0374","","","","","","1.088","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120709","11.5091","0.0004","8.2872","0.0003","22.6167","0.0008","90","","101.516","0.002","90","","2113.72","0.13","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 O3 P Y -","- C21 H30 O3 P Y -","- C84 H120 O12 P4 Y4 -","4","1","","Stephan Salzinger; Benedikt S. Soller; Andriy Plikhta; Uwe B. Seemann; Eberhardt Herdtweck; Bernhard Rieger","Mechanistic Studies on Initiation and Propagation of Rare Earth Metal-Mediated Group Transfer Polymerization of Vinylphosphonates","Journal of the American Chemical Society","2013","135","","13030","13040","10.1021/ja404457f","","","0.71073","MoKα","","0.0485","0.0446","","","0.1182","0.1211","","","","","","1.074","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120710","8.398","0.006","14.5","0.011","15.63","0.011","106.936","0.01","101.941","0.01","94.762","0.009","1760","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 B N0 O4 S8 -","- C34 H30 B O4 S8 -","- C68 H60 B2 O8 S16 -","2","1","","Pradip Bag; Sushanta K. Pal; Mikhail E. Itkis; Arindam Sarkar; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Synthesis of Tetrachalcogenide-Substituted Phenalenyl Derivatives: Preparation and Solid-State Characterization of Bis(3,4,6,7-tetrathioalkyl-phenalenyl)boron Radicals","Journal of the American Chemical Society","2013","135","","12936","12939","10.1021/ja405814f","","","0.71073","MoKα","","0.1903","0.0756","","","0.1526","0.1816","","","","","","0.914","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120711","35.4748","0.0011","9.1858","0.0003","30.5791","0.0009","90","","122.371","0.001","90","","8416.1","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H47.5 B N0.5 O4 S8 -","- C43 H47.5 B N0.5 O4 S8 -","- C344 H380 B8 N4 O32 S64 -","8","1","","Pradip Bag; Sushanta K. Pal; Mikhail E. Itkis; Arindam Sarkar; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Synthesis of Tetrachalcogenide-Substituted Phenalenyl Derivatives: Preparation and Solid-State Characterization of Bis(3,4,6,7-tetrathioalkyl-phenalenyl)boron Radicals","Journal of the American Chemical Society","2013","135","","12936","12939","10.1021/ja405814f","","","0.71073","MoKα","","0.0503","0.0389","","","0.0942","0.1022","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120712","12.6682","0.0013","14.2628","0.0015","18.048","0.002","67.852","0.001","85.334","0.002","88.442","0.001","3010.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H18 B2 F24 O4 Se8 -","- C58 H18 B2 F24 O4 Se8 -","- C116 H36 B4 F48 O8 Se16 -","2","1","","Pradip Bag; Sushanta K. Pal; Mikhail E. Itkis; Arindam Sarkar; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Synthesis of Tetrachalcogenide-Substituted Phenalenyl Derivatives: Preparation and Solid-State Characterization of Bis(3,4,6,7-tetrathioalkyl-phenalenyl)boron Radicals","Journal of the American Chemical Society","2013","135","","12936","12939","10.1021/ja405814f","","","0.71073","MoKα","","0.0848","0.0431","","","0.0917","0.1059","","","","","","1.007","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120713","8.296","0.006","14.369","0.01","15.486","0.011","106.125","0.008","102.415","0.008","94.755","0.009","1712","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 B Cl0 O4 S8 -","- C34 H30 B O4 S8 -","- C68 H60 B2 O8 S16 -","2","1","","Pradip Bag; Sushanta K. Pal; Mikhail E. Itkis; Arindam Sarkar; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Synthesis of Tetrachalcogenide-Substituted Phenalenyl Derivatives: Preparation and Solid-State Characterization of Bis(3,4,6,7-tetrathioalkyl-phenalenyl)boron Radicals","Journal of the American Chemical Society","2013","135","","12936","12939","10.1021/ja405814f","","","0.71073","MoKα","","0.1134","0.0591","","","0.1215","0.1367","","","","","","0.893","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120714","12.8949","0.0008","13.1119","0.0009","23.4112","0.0016","90","","98.19","0.003","90","","3917.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","MABII185","","","- C73 H82 F12 N6 O8 Pt2 S4 -","- C73 H82 F12 N6 O8 Pt2 S4 -","- C146 H164 F24 N12 O16 Pt4 S8 -","2","0.5","","Miriam A. Bowring; Robert G. Bergman; T. Don Tilley","Pt-Catalyzed C-C Activation Induced by C-H Activation","Journal of the American Chemical Society","2013","135","","13121","13128","10.1021/ja406260j","","","0.71073","MoKα","","0.0213","0.0166","","","0.0356","0.0379","","","","","","1.079","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120715","12.3714","0.0013","19.442","0.002","13.907","0.0017","90","","90","","90","","3345","0.6","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","MABIV142","","","- C32 H33 F6 N3 O4 Pt S2 -","- C32 H33 F6 N3 O4 Pt S2 -","- C128 H132 F24 N12 O16 Pt4 S8 -","4","1","","Miriam A. Bowring; Robert G. Bergman; T. Don Tilley","Pt-Catalyzed C-C Activation Induced by C-H Activation","Journal of the American Chemical Society","2013","135","","13121","13128","10.1021/ja406260j","","","0.71073","MoKα","","0.0727","0.0424","","","0.0806","0.0873","","","","","","0.993","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120716","10.2918","0.0009","18.727","0.002","14.6697","0.0012","90","","94.587","0.004","90","","2818.3","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","rebecca01","rebecca01","","- C30 H46 O4 -","- C30 H46 O4 -","- C120 H184 O16 -","4","0.5","","Jessica M. Wittman; Rebecca Hayoun; Werner Kaminsky; Michael K. Coggins; James M. Mayer","A C-C Bonded Phenoxyl Radical Dimer with a Zero Bond Dissociation Free Energy","Journal of the American Chemical Society","2013","135","","12956","12959","10.1021/ja406500h","","","0.71073","MoKα","","0.0575","0.049","","","0.1359","0.1472","","","","","","1.078","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120717","11.1205","0.0016","14.167","0.002","14.256","0.002","71.694","0.002","83.745","0.002","81.854","0.002","2105.8","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H65 Cr N4 Ni O0.5 P3 -","- C41 H65 Cr N4 Ni O0.5 P3 -","- C82 H130 Cr2 N8 Ni2 O P6 -","2","1","","Laura J. Clouston; Randall B. Siedschlag; P. Alex Rudd; Nora Planas; Shuxian Hu; Adam D. Miller; Laura Gagliardi; Connie C. Lu","Systematic Variation of Metal-Metal Bond Order in Metal-Chromium Complexes","Journal of the American Chemical Society","2013","135","","13142","13148","10.1021/ja406506m","","","0.71073","MoKα","","0.0852","0.0592","","","0.1611","0.1835","","","","","","1.021","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120718","12.3712","0.0019","19.416","0.003","19.653","0.003","113.252","0.002","95.561","0.002","101.549","0.002","4167.4","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","CoCrL neutral","","","- C39 H60 Co Cr N4 P3 -","- C39 H60 Co Cr N4 P3 -","- C156 H240 Co4 Cr4 N16 P12 -","4","2","","Laura J. Clouston; Randall B. Siedschlag; P. Alex Rudd; Nora Planas; Shuxian Hu; Adam D. Miller; Laura Gagliardi; Connie C. Lu","Systematic Variation of Metal-Metal Bond Order in Metal-Chromium Complexes","Journal of the American Chemical Society","2013","135","","13142","13148","10.1021/ja406506m","","","0.71073","MoKα","","0.1305","0.0606","","","0.116","0.1359","","","","","","0.88","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120719","11.373","0.001","14.0502","0.0011","14.1811","0.001","71.846","0.001","80.484","0.001","82.265","0.001","2115.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","NiL","","","- C42.5 H67 N4 Ni P3 -","- C42.5 H67 N4 Ni P3 -","- C85 H134 N8 Ni2 P6 -","2","1","","Laura J. Clouston; Randall B. Siedschlag; P. Alex Rudd; Nora Planas; Shuxian Hu; Adam D. Miller; Laura Gagliardi; Connie C. Lu","Systematic Variation of Metal-Metal Bond Order in Metal-Chromium Complexes","Journal of the American Chemical Society","2013","135","","13142","13148","10.1021/ja406506m","","","0.71073","MoKα","","0.0636","0.045","","","0.112","0.1239","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120720","15.9786","0.0018","15.9786","0.0018","11.6916","0.0013","90","","90","","120","","2585.1","0.5","173","2","173","2","","","","","","","","6","P 3 2 1","P 3 2""","150","MnCrL","","","- C39 H60 Cr Mn N4 P3 -","- C39 H60 Cr Mn N4 P3 -","- C78 H120 Cr2 Mn2 N8 P6 -","2","0.333333","","Laura J. Clouston; Randall B. Siedschlag; P. Alex Rudd; Nora Planas; Shuxian Hu; Adam D. Miller; Laura Gagliardi; Connie C. Lu","Systematic Variation of Metal-Metal Bond Order in Metal-Chromium Complexes","Journal of the American Chemical Society","2013","135","","13142","13148","10.1021/ja406506m","","","0.71073","MoKα","","0.0634","0.0472","","","0.1129","0.1237","","","","","","0.989","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120721","8.6244","0.0004","14.9852","0.0007","18.7406","0.0009","90","","92.974","0.003","90","","2418.7","0.2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1d","","","- C30 H33 Ir N2 O2 -","- C30 H33 Ir N2 O2 -","- C120 H132 Ir4 N8 O8 -","4","1","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0575","0.0492","","","0.1215","0.1297","","","","","","1.207","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120722","9.9885","0.0002","10.2413","0.0004","15.6625","0.0008","83.242","0.014","74.359","0.011","75.629","0.012","1492.38","0.15","113","2","113","2","","","","","","","","5","P -1","-P 1","2","1e","","","- C36 H39 Ir N2 O4 -","- C36 H39 Ir N2 O4 -","- C72 H78 Ir2 N4 O8 -","2","1","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0549","0.0493","","","0.1046","0.1115","","","","","","1.19","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120723","12.469","0.005","13.971","0.005","19.353","0.008","100.09","0.004","103.59","0.003","102.297","0.004","3110","2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","1f","","","- C36 H45 Ir N2 O2 -","- C36 H45 Ir N2 O2 -","- C144 H180 Ir4 N8 O8 -","4","2","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0473","0.0423","","","0.0914","0.0972","","","","","","1.137","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120724","11.95","0.002","12.2366","0.001","18.754","0.002","79.999","0.013","89.465","0.018","87.969","0.013","2699","0.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","1g","","","- C32 H36 Ir N2 O2 -","- C32 H36 Ir N2 O2 -","- C128 H144 Ir4 N8 O8 -","4","2","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0961","0.0827","","","0.2117","0.2445","","","","","","0.997","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120725","12.44","0.005","13.311","0.005","18.205","0.006","69.912","0.012","71.057","0.012","82.847","0.016","2677.5","1.7","113","2","113","2","","","","","","","","5","P -1","-P 1","2","1h","","","- C31 H35 Ir N2 O3 -","- C31 H35 Ir N2 O3 -","- C124 H140 Ir4 N8 O12 -","4","2","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0656","0.057","","","0.1239","0.1319","","","","","","1.175","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120726","9.665","0.003","10.146","0.004","14.632","0.005","84.36","0.012","70.971","0.011","64.851","0.009","1226.5","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","1i","","","- C31 H32 N2 O2 Rh -","- C31 H32 N2 O2 Rh -","- C62 H64 N4 O4 Rh2 -","2","1","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0817","0.0713","","","0.2087","0.2445","","","","","","1.221","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120727","9.5643","0.0002","12.427","0.0003","12.5613","0.0006","88.412","0.013","69.551","0.009","68.197","0.008","1289.86","0.15","113","2","113","2","","","","","","","","5","P -1","-P 1","2","2d","","","- C33 H28 Ir N3 O2 -","- C33 H28 Ir N3 O2 -","- C66 H56 Ir2 N6 O4 -","2","1","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0493","0.0464","","","0.0989","0.1018","","","","","","1.147","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120728","11.3075","0.001","12.3224","0.0005","12.3999","0.0005","66.528","0.008","89.743","0.01","87.878","0.011","1583.6","0.19","113","2","113","2","","","","","","","","5","P -1","-P 1","2","4d","","","- C41 H34 Ir N3 O2 -","- C41 H34 Ir N3 O2 -","- C82 H68 Ir2 N6 O4 -","2","1","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0562","0.0494","","","0.102","0.1079","","","","","","1.147","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120729","9.6689","0.0017","11.479","0.002","12.714","0.003","78.307","0.007","68.201","0.007","69.109","0.007","1220.1","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","5d","","","- C30 H27 Ir N3 O2 -","- C30 H27 Ir N3 O2 -","- C60 H54 Ir2 N6 O4 -","2","1","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0358","0.0335","","","0.0851","0.087","","","","","","1.066","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120730","9.649","0.005","10.834","0.006","11.591","0.006","79.233","0.017","77.184","0.013","81.433","0.015","1153.4","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","6d","","","- C29 H26 Ir N3 O2 -","- C29 H26 Ir N3 O2 -","- C58 H52 Ir2 N6 O4 -","2","1","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0364","0.0346","","","0.0765","0.078","","","","","","1.124","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120731","20.748","0.015","10.052","0.007","14.587","0.01","90","","94.453","0.007","90","","3033","4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7d","","","- C37 H32 Ir N3 O2 -","- C37 H32 Ir N3 O2 -","- C148 H128 Ir4 N12 O8 -","4","1","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.1573","0.1343","","","0.2643","0.2806","","","","","","1.263","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120732","11.0299","0.0013","11.3492","0.0008","14.7789","0.0013","71.67","0.04","85.56","0.05","68.28","0.04","1629.9","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","8d-Cl","","","- C37 H41 Cl Ir N3 Si -","- C37 H41 Cl Ir N3 Si -","- C74 H82 Cl2 Ir2 N6 Si2 -","2","1","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0831","0.0756","","","0.1743","0.1817","","","","","","1.139","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120733","10.2398","0.0005","12.8417","0.0006","14.6811","0.0009","86.345","0.006","86.367","0.007","81.453","0.007","1902.35","0.18","113","2","113","2","","","","","","","","5","P -1","-P 1","2","10d","","","- C46 H49 Ir N3 Si -","- C46 H49 Ir N3 Si -","- C92 H98 Ir2 N6 Si2 -","2","1","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0478","0.0439","","","0.0912","0.0947","","","","","","1.173","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120734","20.643","0.0008","17.7074","0.0007","20.7596","0.0007","90","","117.467","0.001","90","","6733","0.4","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","11d-Cl","","","- C40 H39 Cl Ir N3 Si -","- C40 H39 Cl Ir N3 Si -","- C320 H312 Cl8 Ir8 N24 Si8 -","8","2","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0463","0.0422","","","0.105","0.1117","","","","","","1.076","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120735","20.1648","0.0004","20.1648","0.0004","16.4142","0.0005","90","","90","","90","","6674.3","0.3","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C46.67 H54.67 Cl1.33 Co1.33 N6.67 -","- C46.6667 H54.6667 Cl1.33333 Co1.33333 N6.66667 -","- C280 H328 Cl8 Co8 N40 -","6","0.75","","Renyuan Pony Yu; Jonathan M. Darmon; Carsten Milsmann; Grant W. Margulieux; S. Chantal E. Stieber; Serena DeBeer; Paul J. Chirik","Catalytic Hydrogenation Activity and Electronic Structure Determination of Bis(arylimidazol-2-ylidene)pyridine Cobalt Alkyl and Hydride Complexes","Journal of the American Chemical Society","2013","135","","13168","13184","10.1021/ja406608u","","","1.54178","CuKα","","0.0447","0.0394","","","0.0985","0.1006","","","","","","1.095","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120736","11.0041","0.0006","33.2108","0.0018","20.6334","0.0011","90","","95.367","0.003","90","","7507.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H65 B Co F24 N7 -","- C72 H65 B Co F24 N7 -","- C288 H260 B4 Co4 F96 N28 -","4","1","","Renyuan Pony Yu; Jonathan M. Darmon; Carsten Milsmann; Grant W. Margulieux; S. Chantal E. Stieber; Serena DeBeer; Paul J. Chirik","Catalytic Hydrogenation Activity and Electronic Structure Determination of Bis(arylimidazol-2-ylidene)pyridine Cobalt Alkyl and Hydride Complexes","Journal of the American Chemical Society","2013","135","","13168","13184","10.1021/ja406608u","","","1.54178","CuKα","","0.0637","0.0567","","","0.1575","0.1628","","","","","","1.046","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120737","13.7593","0.0006","14.5536","0.0007","19.8946","0.0009","69.192","0.001","76.713","0.001","71.703","0.001","3504.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H56 B Co F24 N5 -","- C68 H56 B Co F24 N5 -","- C136 H112 B2 Co2 F48 N10 -","2","1","","Renyuan Pony Yu; Jonathan M. Darmon; Carsten Milsmann; Grant W. Margulieux; S. Chantal E. Stieber; Serena DeBeer; Paul J. Chirik","Catalytic Hydrogenation Activity and Electronic Structure Determination of Bis(arylimidazol-2-ylidene)pyridine Cobalt Alkyl and Hydride Complexes","Journal of the American Chemical Society","2013","135","","13168","13184","10.1021/ja406608u","","","0.71073","MoKα","","0.0489","0.039","","","0.1124","0.118","","","","","","1.075","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120738","12.0909","0.0003","12.8468","0.0003","16.0768","0.0004","93.285","0.002","108.604","0.002","93.618","0.002","2354.07","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H64 Co N7 O -","- C53 H64 Co N7 O -","- C106 H128 Co2 N14 O2 -","2","1","","Renyuan Pony Yu; Jonathan M. Darmon; Carsten Milsmann; Grant W. Margulieux; S. Chantal E. Stieber; Serena DeBeer; Paul J. Chirik","Catalytic Hydrogenation Activity and Electronic Structure Determination of Bis(arylimidazol-2-ylidene)pyridine Cobalt Alkyl and Hydride Complexes","Journal of the American Chemical Society","2013","135","","13168","13184","10.1021/ja406608u","","","1.54178","CuKα","","0.0458","0.0378","","","0.0911","0.0956","","","","","","1.028","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120739","11.8834","0.0013","12.5642","0.0013","22.928","0.002","90","","90","","90","","3423.3","0.6","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H57 N3 O Si6 U -","- C19 H57 N3 O Si6 U -","- C76 H228 N12 O4 Si24 U4 -","4","1","","Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter","Stable Uranium(VI) Methyl and Acetylide Complexes and the Elucidation of an Inverse Trans Influence Ligand Series","Journal of the American Chemical Society","2013","135","","13185","13192","10.1021/ja406610r","","","0.71073","MoKα","","0.0182","0.0156","","","0.0356","0.0366","","","","","","1.058","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120740","12.3823","0.0008","12.1284","0.0007","13.0025","0.0008","90","","92.667","0.003","90","","1950.6","0.2","100","1","100","1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C26 H59 N3 O Si6 U -","- C26 H59 N3 O Si6 U -","- C52 H118 N6 O2 Si12 U2 -","2","0.5","","Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter","Stable Uranium(VI) Methyl and Acetylide Complexes and the Elucidation of an Inverse Trans Influence Ligand Series","Journal of the American Chemical Society","2013","135","","13185","13192","10.1021/ja406610r","","","0.71073","MoKα","","0.035","0.0348","","","0.0973","0.0973","","","","","","1.577","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120741","18.476","0.004","18.476","0.004","16.94","0.004","90","","90","","120","","5007.9","1.9","143","1","143","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C19 H57 N3 Si6 U -","- C19 H56.97 N3 Si6 U -","- C114 H341.82 N18 Si36 U6 -","6","0.333333","","Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter","Stable Uranium(VI) Methyl and Acetylide Complexes and the Elucidation of an Inverse Trans Influence Ligand Series","Journal of the American Chemical Society","2013","135","","13185","13192","10.1021/ja406610r","","","0.71073","MoKα","","0.023","0.021","","","0.0707","0.0868","","","","","","1.386","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120742","7.5855","0.0007","8.6501","0.001","25.042","0.003","90","","90","","90","","1643.1","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C76 H92 N4 O8 -","4","1","","Yongbing Liu; Haifeng Du","Metal-Free Borane-Catalyzed Highly Stereoselective Hydrogenation of Pyridines","Journal of the American Chemical Society","2013","135","","12968","12971","10.1021/ja406761j","","","0.71073","MoKα","","0.0475","0.0456","","","0.1242","0.1255","","","","","","1.195","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120743","8.0673","0.0013","6.0026","0.0007","20.713","0.003","90","","95.849","0.009","90","","997.8","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 N2 -","- C24 H32 N2 -","- C48 H64 N4 -","2","0.5","","Yongbing Liu; Haifeng Du","Metal-Free Borane-Catalyzed Highly Stereoselective Hydrogenation of Pyridines","Journal of the American Chemical Society","2013","135","","12968","12971","10.1021/ja406761j","","","0.71073","MoKα","","0.0551","0.053","","","0.1359","0.1379","","","","","","1.133","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120744","7.451","0.003","7.592","0.004","8.063","0.004","74.72","0.02","88.22","0.02","83.52","0.02","437.2","0.4","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H26 N2 O7 -","- C16 H26 N2 O7 -","- C16 H26 N2 O7 -","1","1","","Yongbing Liu; Haifeng Du","Metal-Free Borane-Catalyzed Highly Stereoselective Hydrogenation of Pyridines","Journal of the American Chemical Society","2013","135","","12968","12971","10.1021/ja406761j","","","0.71073","MoKα","","0.0376","0.037","","","0.0969","0.0976","","","","","","1.062","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120745","7.1715","0.0002","27.4949","0.0006","30.6373","0.0007","90","","95.249","0.001","90","","6015.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(tetraphenylphosphonium) nitroundecahydroxy-closo-dodecaborate(2-) trihydrate penta(methanol) solvate","","- C53 H77 B12 N O21 P2 -","- C49 H55 B12 N O14 P2 -","- C196 H220 B48 N4 O56 P8 -","4","1","","Oleg Bondarev; Aslam A. Khan; Xiaoyan Tu; Yulia V. Sevryugina; Satish S. Jalisatgi; M. Frederick Hawthorne","Synthesis of [closo-B12(OH)11NH3]-: A New Heterobifunctional Dodecaborane Scaffold for Drug Delivery Applications","Journal of the American Chemical Society","2013","135","","13204","13211","10.1021/ja4069613","","","1.54178","Cu-Kα","","0.0921","0.0788","","","0.2102","0.2179","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120746","28.668","0.003","6.1938","0.0003","27.143","0.002","90","","117.359","0.009","90","","4280.5","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H51 Au2 Cl3 N8 O4 -","- C37 H51 Au2 Cl3 N8 O4 -","- C148 H204 Au8 Cl12 N32 O16 -","4","0.5","","Daniel Canseco-Gonzalez; Ana Petronilho; Helge Müller-Bunz; Kohsuke Ohmatsu; Takashi Ooi; Martin Albrecht","Carbene Transfer from Triazolylidene Gold Complexes as a Potent Strategy for Inducing High Catalytic Activity","Journal of the American Chemical Society","2013","135","","13193","13203","10.1021/ja406999p","","","1.54178","CuKα","","0.0685","0.061","","","0.1659","0.1741","","","","","","1.087","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120747","11.4704","0.0003","13.9336","0.0004","14.531","0.0005","104.207","0.002","103.858","0.003","109.633","0.002","1984.27","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H21 Au Cl N3 O4 -","- C19 H21 Au Cl N3 O4 -","- C76 H84 Au4 Cl4 N12 O16 -","4","2","","Daniel Canseco-Gonzalez; Ana Petronilho; Helge Müller-Bunz; Kohsuke Ohmatsu; Takashi Ooi; Martin Albrecht","Carbene Transfer from Triazolylidene Gold Complexes as a Potent Strategy for Inducing High Catalytic Activity","Journal of the American Chemical Society","2013","135","","13193","13203","10.1021/ja406999p","","","0.71073","MoKα","","0.0334","0.0244","","","0.0439","0.0474","","","","","","1.07","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120748","11.3433","0.0001","7.14417","0.00007","17.6881","0.0002","90","","97.887","0.001","90","","1419.86","0.02","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H21 Au Cl N3 -","- C11 H21 Au Cl N3 -","- C44 H84 Au4 Cl4 N12 -","4","1","","Daniel Canseco-Gonzalez; Ana Petronilho; Helge Müller-Bunz; Kohsuke Ohmatsu; Takashi Ooi; Martin Albrecht","Carbene Transfer from Triazolylidene Gold Complexes as a Potent Strategy for Inducing High Catalytic Activity","Journal of the American Chemical Society","2013","135","","13193","13203","10.1021/ja406999p","","","1.54184","CuKα","","0.0304","0.0256","","","0.0649","0.0836","","","","","","1.155","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120749","15.1192","0.0003","15.2115","0.0003","19.2224","0.0004","74.047","0.002","67.294","0.002","65.027","0.002","3663.72","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H40 Au B F4 N3 P -","- C39 H40 Au B F4 N3 P -","- C156 H160 Au4 B4 F16 N12 P4 -","4","2","","Daniel Canseco-Gonzalez; Ana Petronilho; Helge Müller-Bunz; Kohsuke Ohmatsu; Takashi Ooi; Martin Albrecht","Carbene Transfer from Triazolylidene Gold Complexes as a Potent Strategy for Inducing High Catalytic Activity","Journal of the American Chemical Society","2013","135","","13193","13203","10.1021/ja406999p","","","0.71073","MoKα","","0.0328","0.0235","","","0.045","0.0482","","","","","","1.025","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120750","32.3325","0.0003","16.0148","0.0001","17.1142","0.0002","90","","116.831","0.001","90","","7907.67","0.15","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C156 H195.67 Au4 Cl5.58 I1.58 N24 O1.83 -","- C156 H194 Au4 Cl5.583 I1.583 N24 O1.834 -","- C312 H388 Au8 Cl11.166 I3.166 N48 O3.668 -","2","0.5","","Daniel Canseco-Gonzalez; Ana Petronilho; Helge Müller-Bunz; Kohsuke Ohmatsu; Takashi Ooi; Martin Albrecht","Carbene Transfer from Triazolylidene Gold Complexes as a Potent Strategy for Inducing High Catalytic Activity","Journal of the American Chemical Society","2013","135","","13193","13203","10.1021/ja406999p","","","0.71073","MoKα","","0.0266","0.025","","","0.0668","0.0679","","","","","","1.04","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120751","10.5186","0.0002","17.8927","0.0003","10.0944","0.0002","90","","106.834","0.002","90","","1818.42","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Au Cl N3 -","- C19 H23 Au Cl N3 -","- C76 H92 Au4 Cl4 N12 -","4","1","","Daniel Canseco-Gonzalez; Ana Petronilho; Helge Müller-Bunz; Kohsuke Ohmatsu; Takashi Ooi; Martin Albrecht","Carbene Transfer from Triazolylidene Gold Complexes as a Potent Strategy for Inducing High Catalytic Activity","Journal of the American Chemical Society","2013","135","","13193","13203","10.1021/ja406999p","","","0.71073","MoKα","","0.0256","0.0198","","","0.0331","0.0344","","","","","","1.061","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120752","6.3216","0.0002","15.7217","0.0003","20.9517","0.0004","90","","91.673","0.002","90","","2081.42","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Au Cl N3 -","- C21 H25 Au Cl N3 -","- C84 H100 Au4 Cl4 N12 -","4","1","","Daniel Canseco-Gonzalez; Ana Petronilho; Helge Müller-Bunz; Kohsuke Ohmatsu; Takashi Ooi; Martin Albrecht","Carbene Transfer from Triazolylidene Gold Complexes as a Potent Strategy for Inducing High Catalytic Activity","Journal of the American Chemical Society","2013","135","","13193","13203","10.1021/ja406999p","","","0.71073","MoKα","","0.0314","0.0254","","","0.0479","0.0503","","","","","","1.037","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120753","15.9362","0.0002","31.6465","0.0003","15.8633","0.0001","90","","90","","90","","8000.26","0.14","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C42 H48 Au B F4 N4 -","- C42 H48 Au B F4 N4 -","- C336 H384 Au8 B8 F32 N32 -","8","1","","Daniel Canseco-Gonzalez; Ana Petronilho; Helge Müller-Bunz; Kohsuke Ohmatsu; Takashi Ooi; Martin Albrecht","Carbene Transfer from Triazolylidene Gold Complexes as a Potent Strategy for Inducing High Catalytic Activity","Journal of the American Chemical Society","2013","135","","13193","13203","10.1021/ja406999p","","","0.71073","MoKα","","0.0216","0.0176","","","0.0388","0.0402","","","","","","1.062","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120754","5.385","0.0007","11.9124","0.0012","15.931","0.002","90","","90","","90","","1021.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 Br2 O -","- C9 H10 Br2 O -","- C36 H40 Br8 O4 -","4","1","","Dennis X. Hu; Grant M. Shibuya; Noah Z. Burns","Catalytic Enantioselective Dibromination of Allylic Alcohols","Journal of the American Chemical Society","2013","135","","12960","12963","10.1021/ja4083182","","","0.71073","","","0.0286","0.0241","","","0.0499","0.0512","","","","","","1.066","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120755","13.9876","0.0001","21.0189","0.0002","25.6451","0.0002","90","","90","","90","","7539.76","0.11","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H54 Li2 N2 O Si2 -","- C36 H54 Li2 N2 O Si2 -","- C288 H432 Li16 N16 O8 Si16 -","8","1","","Johann T. B. H. Jastrzebski; Anne M. Arink; Henk Kleijn; Thijs W. Braam; Martin Lutz; Anthony L. Spek; Gerard van Koten","Directed ortho-Lithiation: Observation of an Unexpected 1-Lithio to 3-Lithio Conversion of 1-Lithio-naphthyllithium Compounds with an ortho-Directing 2-(Dimethylamino)methyl Group","Journal of the American Chemical Society","2013","135","","13371","13378","10.1021/ja402884y","","","0.71073","MoKα","","0.0561","0.0412","","","0.1091","0.1176","","","","","","1.078","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4120756","10.5381","0.0001","10.8025","0.0002","20.0558","0.0003","95.766","0.0006","96.1318","0.0006","96.2745","0.0006","2241.88","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H56 Li4 N4 -","- C52 H56 Li4 N4 -","- C104 H112 Li8 N8 -","2","1","","Johann T. B. H. Jastrzebski; Anne M. Arink; Henk Kleijn; Thijs W. Braam; Martin Lutz; Anthony L. Spek; Gerard van Koten","Directed ortho-Lithiation: Observation of an Unexpected 1-Lithio to 3-Lithio Conversion of 1-Lithio-naphthyllithium Compounds with an ortho-Directing 2-(Dimethylamino)methyl Group","Journal of the American Chemical Society","2013","135","","13371","13378","10.1021/ja402884y","","","0.71073","MoKα","","0.0732","0.049","","","0.1367","0.1538","","","","","","1.104","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120757","11.8142","0.0007","12.8038","0.0007","13.1046","0.0007","61.592","0.003","72.66","0.002","81.328","0.003","1664.25","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H43 Li2 N3 -","- C39 H43 Li2 N3 -","- C78 H86 Li4 N6 -","2","1","","Johann T. B. H. Jastrzebski; Anne M. Arink; Henk Kleijn; Thijs W. Braam; Martin Lutz; Anthony L. Spek; Gerard van Koten","Directed ortho-Lithiation: Observation of an Unexpected 1-Lithio to 3-Lithio Conversion of 1-Lithio-naphthyllithium Compounds with an ortho-Directing 2-(Dimethylamino)methyl Group","Journal of the American Chemical Society","2013","135","","13371","13378","10.1021/ja402884y","","","0.71073","MoKα","","0.0978","0.0494","","","0.1124","0.13","","","","","","1.034","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120758","15.289","0.003","9.437","0.0018","25.086","0.005","90","","102.377","0.003","90","","3535.3","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H29 Br2 N O7 -","- C41 H29 Br2 N O7 -","- C82 H58 Br4 N2 O14 -","2","1","","Youcai Hu; Malia B. Potts; Dominic Colosimo; Mireya L. Herrera-Herrera; Aaron G. Legako; Muhammed Yousufuddin; Michael A. White; John B. MacMillan","Discoipyrroles A-D: Isolation, Structure Determination, and Synthesis of Potent Migration Inhibitors from Bacillus hunanensis","Journal of the American Chemical Society","2013","135","","13387","13392","10.1021/ja403412y","","","0.71073","MoKα","","0.0623","0.0449","","","0.0902","0.0967","","","","","","1.004","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120759","15.4135","0.0005","28.3495","0.001","34.4392","0.0012","90","","93.178","0.002","90","","15025.6","0.9","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C180 H382 N14 O126 P4 V6 W30 -","- C83.4 H163 N9 O126 P4 V6 W30 -","- C166.8 H326 N18 O252 P8 V12 W60 -","2","0.5","","Panchao Yin; Tao Li; Ross S. Forgan; Claire Lydon; Xiaobing Zuo; Zhaoxiong Norm Zheng; Byeongdu Lee; Deliang Long; Leroy Cronin; Tianbo Liu","Exploring the Programmable Assembly of a Polyoxometalate-Organic Hybrid via Metal Ion Coordination","Journal of the American Chemical Society","2013","135","","13425","13432","10.1021/ja404777g","","","0.71073","MoKα","","0.161","0.0822","","","0.2163","0.2384","","","","","","0.958","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120760","10.9716","0.001","11.0386","0.0009","11.357","0.001","102.875","0.004","114.786","0.003","104.723","0.004","1119.56","0.18","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 Dy2 N6 O12 -","- C44 H50 Dy2 N6 O12 -","- C44 H50 Dy2 N6 O12 -","1","0.5","","Fatemah Habib; Gabriel Brunet; Veacheslav Vieru; Ilia Korobkov; Liviu F. Chibotaru; Muralee Murugesu","Significant Enhancement of Energy Barriers in Dinuclear Dysprosium Single-Molecule Magnets Through Electron-Withdrawing Effects","Journal of the American Chemical Society","2013","135","","13242","13245","10.1021/ja404846s","","","0.71073","MoKα","","0.0174","0.0149","","","0.0402","0.042","","","","","","1.058","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120761","10.9677","0.0005","10.9839","0.0006","11.3372","0.0006","64.135","0.002","70.881","0.002","78.919","0.002","1159.21","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 Cl Dy N3 O6 -","- C22 H25 Cl Dy N3 O6 -","- C44 H50 Cl2 Dy2 N6 O12 -","2","1","","Fatemah Habib; Gabriel Brunet; Veacheslav Vieru; Ilia Korobkov; Liviu F. Chibotaru; Muralee Murugesu","Significant Enhancement of Energy Barriers in Dinuclear Dysprosium Single-Molecule Magnets Through Electron-Withdrawing Effects","Journal of the American Chemical Society","2013","135","","13242","13245","10.1021/ja404846s","","","0.71073","MoKα","","0.0129","0.0122","","","0.0327","0.033","","","","","","1.008","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120762","11.161","0.0006","11.5902","0.0006","12.2363","0.0007","96.122","0.002","109.199","0.002","118.713","0.002","1242.3","0.13","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22.25 H25 Cl2 Dy N3 O6.25 -","- C22.25 H25 Cl2 Dy N3 O6.25 -","- C44.5 H50 Cl4 Dy2 N6 O12.5 -","2","1","","Fatemah Habib; Gabriel Brunet; Veacheslav Vieru; Ilia Korobkov; Liviu F. Chibotaru; Muralee Murugesu","Significant Enhancement of Energy Barriers in Dinuclear Dysprosium Single-Molecule Magnets Through Electron-Withdrawing Effects","Journal of the American Chemical Society","2013","135","","13242","13245","10.1021/ja404846s","","","0.71073","MoKα","","0.0202","0.0185","","","0.0466","0.0476","","","","","","1.04","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120763","12.334","0.0004","10.6933","0.0004","20.2703","0.0007","90","","99.619","0.001","90","","2635.89","0.16","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Dy F6 N3 O6 -","- C25 H24 Dy F6 N3 O6 -","- C100 H96 Dy4 F24 N12 O24 -","4","1","","Fatemah Habib; Gabriel Brunet; Veacheslav Vieru; Ilia Korobkov; Liviu F. Chibotaru; Muralee Murugesu","Significant Enhancement of Energy Barriers in Dinuclear Dysprosium Single-Molecule Magnets Through Electron-Withdrawing Effects","Journal of the American Chemical Society","2013","135","","13242","13245","10.1021/ja404846s","","","0.71073","MoKα","","0.0271","0.0227","","","0.0533","0.0552","","","","","","1.009","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120764","11.2249","0.0002","14.2662","0.0003","17.3635","0.0003","90","","90.858","0.001","90","","2780.22","0.09","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H64 Cl4 Dy2 N6 O12 -","- C52 H64 Cl4 Dy2 N6 O12 -","- C104 H128 Cl8 Dy4 N12 O24 -","2","0.5","","Fatemah Habib; Gabriel Brunet; Veacheslav Vieru; Ilia Korobkov; Liviu F. Chibotaru; Muralee Murugesu","Significant Enhancement of Energy Barriers in Dinuclear Dysprosium Single-Molecule Magnets Through Electron-Withdrawing Effects","Journal of the American Chemical Society","2013","135","","13242","13245","10.1021/ja404846s","","","0.71073","MoKα","","0.0229","0.0205","","","0.0551","0.0582","","","","","","1.047","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120765","9.1364","0.0005","10.9864","0.0006","12.362","0.0007","78.836","0.001","81.93","0.001","77.054","0.001","1180.3","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 Br N4 O3 -","- C29 H21 Br N4 O3 -","- C58 H42 Br2 N8 O6 -","2","1","","Wei Lin; Daniela Buccella; Stephen J. Lippard","Visualization of Peroxynitrite-Induced Changes of Labile Zn2+ in the Endoplasmic Reticulum with Benzoresorufin-Based Fluorescent Probes","Journal of the American Chemical Society","2013","135","","13512","13520","10.1021/ja4059487","","","0.71073","MoKα","","0.028","0.0256","","","0.0693","0.0707","","","","","","1.076","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120766","11.0295","0.0002","12.7894","0.0002","16.0576","0.0003","100.234","0.001","93.668","0.001","112.633","0.001","2035.44","0.06","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H78 F12 N6 O4 P6 Re2 -","- C84 H72 F12 N6 O4 P6 Re2 -","- C84 H72 F12 N6 O4 P6 Re2 -","1","0.5","","Tatsuki Morimoto; Chiaki Nishiura; Marina Tanaka; Jana Rohacova; Yuki Nakagawa; Yusuke Funada; Kazuhide Koike; Youhei Yamamoto; Sayaka Shishido; Tatsuhiro Kojima; Takuro Saeki; Tomoji Ozeki; Osamu Ishitani","Ring-Shaped Re(I) Multinuclear Complexes with Unique Photofunctional Properties","Journal of the American Chemical Society","2013","135","","13266","13269","10.1021/ja406144h","","","0.71073","MoKα","","0.04","0.0381","","","0.0956","0.0969","","","","","","1.017","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120767","13.7098","0.0003","18.9544","0.0005","23.9076","0.0007","88.543","0.0008","83.7684","0.0008","83.3082","0.0009","6133.4","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C123.03 H114.05 Cl3 N6 O20 P6 Re3 -","- C123.021 H114.042 Cl3 N6 O20.007 P6 Re3 -","- C246.042 H228.084 Cl6 N12 O40.014 P12 Re6 -","2","1","","Tatsuki Morimoto; Chiaki Nishiura; Marina Tanaka; Jana Rohacova; Yuki Nakagawa; Yusuke Funada; Kazuhide Koike; Youhei Yamamoto; Sayaka Shishido; Tatsuhiro Kojima; Takuro Saeki; Tomoji Ozeki; Osamu Ishitani","Ring-Shaped Re(I) Multinuclear Complexes with Unique Photofunctional Properties","Journal of the American Chemical Society","2013","135","","13266","13269","10.1021/ja406144h","","","0.71073","MoKα","","0.0863","0.051","","","0.1298","0.141","","","","","","0.879","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120768","46.6523","0.0001","46.6523","0.0001","46.6523","0.0001","90","","90","","90","","101536","0.4","123","2","123","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C164 H146 F24 N14 O8 P12 Re4 -","- C163.987 H128 F24.04 N13.9867 O8 P12.0067 Re4 -","- C3935.68 H3072 F576.96 N335.68 O192 P288.16 Re96 -","24","0.25","","Tatsuki Morimoto; Chiaki Nishiura; Marina Tanaka; Jana Rohacova; Yuki Nakagawa; Yusuke Funada; Kazuhide Koike; Youhei Yamamoto; Sayaka Shishido; Tatsuhiro Kojima; Takuro Saeki; Tomoji Ozeki; Osamu Ishitani","Ring-Shaped Re(I) Multinuclear Complexes with Unique Photofunctional Properties","Journal of the American Chemical Society","2013","135","","13266","13269","10.1021/ja406144h","","","0.689","synchrotron","","0.0207","0.0197","","","0.0566","0.0574","","","","","","1.071","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120769","31.2399","0.0005","30.3656","0.0006","21.5745","0.0005","90","","131.866","0.001","90","","15241.2","0.6","123","2","123","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C273.01 H265.51 F36 N28.5 O12 P18 Re6 -","- C273 H216 F36 N28.5 O12 P18 Re6 -","- C546 H432 F72 N57 O24 P36 Re12 -","2","0.25","","Tatsuki Morimoto; Chiaki Nishiura; Marina Tanaka; Jana Rohacova; Yuki Nakagawa; Yusuke Funada; Kazuhide Koike; Youhei Yamamoto; Sayaka Shishido; Tatsuhiro Kojima; Takuro Saeki; Tomoji Ozeki; Osamu Ishitani","Ring-Shaped Re(I) Multinuclear Complexes with Unique Photofunctional Properties","Journal of the American Chemical Society","2013","135","","13266","13269","10.1021/ja406144h","","","0.71073","MoKα","","0.0839","0.0563","","","0.1534","0.1607","","","","","","0.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120770","11.9987","0.0011","8.0328","0.0008","14.445","0.0014","90","","96.49","0.001","90","","1383.3","0.2","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 F6 N4 O8 Pd S2 -","- C22 H28 F6 N4 O8 Pd S2 -","- C44 H56 F12 N8 O16 Pd2 S4 -","2","0.5","","Gregory B. Boursalian; Ming-Yu Ngai; Katarzyna N. Hojczyk; Tobias Ritter","Pd-Catalyzed Aryl C-H Imidation with Arene as the Limiting Reagent","Journal of the American Chemical Society","2013","135","","13278","13281","10.1021/ja4064926","","","0.71073","MoKα","","0.0472","0.0436","","","0.1058","0.1088","","","","","","1.041","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120771","29.007","0.005","15.739","0.002","19.889","0.003","90","","109.985","0.004","90","","8533","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H6 F24 Mn2 N6 O8 S4 -","- C26 H6 F24 Mn2 N6 O8 S4 -","- C208 H48 F192 Mn16 N48 O64 S32 -","8","2","","Elisabeth M. Fatila; Rodolphe Clérac; Mathieu Rouzières; Dmitriy V. Soldatov; Michael Jennings; Kathryn E. Preuss","High-Spin Ribbons and Antiferromagnetic Ordering of a MnII-Biradical-MnII Complex","Journal of the American Chemical Society","2013","135","","13298","13301","10.1021/ja4067783","","","0.71073","MoKα","","0.0666","0.0457","","","0.0822","0.0909","","","","","","1.024","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120772","10.816","0.003","19.146","0.005","12.664","0.003","90","","114.04","0.004","90","","2395","1.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","MnN5Me-Mo(CN)7","","","- C37 H66 Mn2 Mo N17 O8 -","- C37 H66 Mn2 Mo N17 O8 -","- C74 H132 Mn4 Mo2 N34 O16 -","2","1","","Kun Qian; Xing-Cai Huang; Chun Zhou; Xiao-Zeng You; Xin-Yi Wang; Kim R. Dunbar","A Single-Molecule Magnet Based on Heptacyanomolybdate with the Highest Energy Barrier for a Cyanide Compound","Journal of the American Chemical Society","2013","135","","13302","13305","10.1021/ja4067833","","","0.71073","MoKα","","0.0481","0.0427","","","0.0983","0.1025","","","","","","1.004","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120773","10.4615","0.0007","13.8115","0.0009","16.867","0.0011","95.088","0.002","94.278","0.003","99.923","0.002","2381.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","MnN3O2-Mo(CN)7","","","- C37 H60 Mn2 Mo N13 O13 -","- C37 H40 Mn2 Mo N13 O13 -","- C74 H80 Mn4 Mo2 N26 O26 -","2","1","","Kun Qian; Xing-Cai Huang; Chun Zhou; Xiao-Zeng You; Xin-Yi Wang; Kim R. Dunbar","A Single-Molecule Magnet Based on Heptacyanomolybdate with the Highest Energy Barrier for a Cyanide Compound","Journal of the American Chemical Society","2013","135","","13302","13305","10.1021/ja4067833","","","0.71073","MoKα","","0.0616","0.0586","","","0.1403","0.1411","","","","","","1.005","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120774","10.3117","0.0018","10.9226","0.0012","22.299","0.002","86.906","0.002","89.002","0.003","74.499","0.002","2416.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","MnDASPC-Mo(CN)7-Needle","","","- C31 H49 Mn2 Mo N22 O12 -","- C31 H37 Mn2 Mo N22 O12 -","- C62 H74 Mn4 Mo2 N44 O24 -","2","1","","Kun Qian; Xing-Cai Huang; Chun Zhou; Xiao-Zeng You; Xin-Yi Wang; Kim R. Dunbar","A Single-Molecule Magnet Based on Heptacyanomolybdate with the Highest Energy Barrier for a Cyanide Compound","Journal of the American Chemical Society","2013","135","","13302","13305","10.1021/ja4067833","","","0.71073","MoKα","","0.0623","0.0586","","","0.1405","0.1412","","","","","","1.012","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120775","15.9554","0.0014","24.433","0.002","13.7743","0.0012","90","","90.7714","0.0011","90","","5369.3","0.8","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K N2 O7 Si3 U -","- C46 H83 K N2 O7 Si3 U -","- C184 H332 K4 N8 O28 Si12 U4 -","4","1","","Matthew R. MacDonald; Megan E. Fieser; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Identification of the +2 Oxidation State for Uranium in a Crystalline Molecular Complex, [K(2.2.2-Cryptand)][(C5H4SiMe3)3U]","Journal of the American Chemical Society","2013","135","","13310","13313","10.1021/ja406791t","","","0.71073","MoKα","","0.0295","0.0244","","","0.0541","0.0562","","","","","","1.049","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120776","17.1435","0.0012","24.8674","0.0017","13.7813","0.001","90","","112.576","0.0008","90","","5425","0.7","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H76 K N2 O6 Si3 U -","- C42 H76 K N2 O6 Si3 U -","- C168 H304 K4 N8 O24 Si12 U4 -","4","1","","Matthew R. MacDonald; Megan E. Fieser; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Identification of the +2 Oxidation State for Uranium in a Crystalline Molecular Complex, [K(2.2.2-Cryptand)][(C5H4SiMe3)3U]","Journal of the American Chemical Society","2013","135","","13310","13313","10.1021/ja406791t","","","0.71073","MoKα","","0.0492","0.0351","","","0.08","0.0855","","","","","","1.029","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120777","10.8332","0.0002","6.1272","0.0001","15.5015","0.0003","90","","90.022","0.001","90","","1028.95","0.03","173.2","","173.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H32 O3 -","- C23 H32 O3 -","- C46 H64 O6 -","2","1","","John F. Briones; Huw M. L. Davies","Enantioselective Gold(I)-Catalyzed Vinylogous [3 + 2] Cycloaddition between Vinyldiazoacetates and Enol Ethers","Journal of the American Chemical Society","2013","135","","13314","13317","10.1021/ja407179c","","","1.54184","CuKα","","0.0323","0.0322","","","0.0838","0.0839","","","","","","1.034","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120778","14.0183","0.0005","14.0183","0.0005","11.3948","0.0005","90","","90","","120","","1939.22","0.13","100","2","100","2","","","","","","","","5","P -3","-P 3","147","in,in-bis(hydrosilane)","","","- C43 H36 Cl3 S3 Si2 -","- C43 H36 Cl3 S3 Si2 -","- C86 H72 Cl6 S6 Si4 -","2","0.333333","","Jie Zong; Joel T. Mague; Robert A. Pascal","Exceptional Steric Congestion in an in,in-Bis(hydrosilane)","Journal of the American Chemical Society","2013","135","","13235","13237","10.1021/ja407398w","","","1.54178","CuKα","","0.0905","0.0822","","","0.2456","0.2544","","","","","","1.094","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120779","19.0012","0.0011","24.6026","0.0013","25.8588","0.0013","90","","90","","90","","12088.4","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H76 Cu N5 O2 -","- C62 H76 Cu N5 O2 -","- C496 H608 Cu8 N40 O16 -","8","1","","Joby Winn; Aleksandra Pinczewska; Stephen M. Goldup","Synthesis of a Rotaxane CuI Triazolide under Aqueous Conditions","Journal of the American Chemical Society","2013","135","","13318","13321","10.1021/ja407446c","","","1.54178","CuKα","","0.2245","0.2194","","","0.4507","0.4524","","","","","","1.073","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120780","8.4288","0.0002","13.7579","0.0004","12.3099","0.0003","90","","106.94","0.001","90","","1365.55","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Br2 O4 -","- C12 H16 Br2 O4 -","- C48 H64 Br8 O16 -","4","1","","Zachary S. Kean; Zhenbin Niu; Gihan B. Hewage; Arnold L. Rheingold; Stephen L. Craig","Stress-Responsive Polymers Containing Cyclobutane Core Mechanophores: Reactivity and Mechanistic Insights","Journal of the American Chemical Society","2013","135","","13598","13604","10.1021/ja4075997","","","1.54178","CuKα","","0.045","0.0409","","","0.0988","0.1017","","","","","","1.074","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120781","8.8907","0.00011","12.16463","0.00014","12.12008","0.00014","90","","93.0379","0.001","90","","1308.97","0.03","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O4 -","- C13 H17 N O4 -","- C52 H68 N4 O16 -","4","1","","Zachary S. Kean; Zhenbin Niu; Gihan B. Hewage; Arnold L. Rheingold; Stephen L. Craig","Stress-Responsive Polymers Containing Cyclobutane Core Mechanophores: Reactivity and Mechanistic Insights","Journal of the American Chemical Society","2013","135","","13598","13604","10.1021/ja4075997","","","1.5418","CuKα","","0.0381","0.0362","","","0.0934","0.095","","","","","","1.048","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120782","6.7456","0.0005","9.0252","0.0007","9.4246","0.0007","101.161","0.002","110.622","0.001","111.735","0.002","462.9","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H11 N O7 -","- C8 H11 N O7 -","- C16 H22 N2 O14 -","2","1","","Natalia B. Shustova; Anthony F. Cozzolino; Sebastian Reineke; Marc Baldo; Mircea Dincă","Selective Turn-On Ammonia Sensing Enabled by High-Temperature Fluorescence in Metal-Organic Frameworks with Open Metal Sites","Journal of the American Chemical Society","2013","135","","13326","13329","10.1021/ja407778a","","","0.71073","MoKα","","0.0432","0.036","","","0.1032","0.1075","","","","","","1.12","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120783","16.703","0.011","11.725","0.008","9.533","0.006","90","","114.85","0.013","90","","1694.1","1.9","393","2","393","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Mg N2 O8 -","- C14 H18 Mg N2 O8 -","- C56 H72 Mg4 N8 O32 -","4","0.5","","Natalia B. Shustova; Anthony F. Cozzolino; Sebastian Reineke; Marc Baldo; Mircea Dincă","Selective Turn-On Ammonia Sensing Enabled by High-Temperature Fluorescence in Metal-Organic Frameworks with Open Metal Sites","Journal of the American Chemical Society","2013","135","","13326","13329","10.1021/ja407778a","","","0.71073","MoKα","","0.0766","0.0667","","","0.2035","0.2141","","","","","","1.082","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120784","11.8131","0.0003","16.6429","0.0005","23.3943","0.0007","90","","95.107","0.002","90","","4581.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H72 Fe N4 Si4 -","- C39 H72 Fe N4 Si4 -","- C156 H288 Fe4 N16 Si16 -","4","1","","Benjamin M. Day; Thomas Pugh; Daniël Hendriks; Célia Fonseca Guerra; David J. Evans; F. Matthias Bickelhaupt; Richard A. Layfield","Normal-to-Abnormal Rearrangement and NHC Activation in Three-Coordinate Iron(II) Carbene Complexes","Journal of the American Chemical Society","2013","135","","13338","13341","10.1021/ja408589p","","","0.71073","MoKα","","0.0528","0.041","","","0.0994","0.107","","","","","","1.015","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120785","11.6319","0.0004","17.3172","0.0005","17.0078","0.0006","90","","103.551","0.003","90","","3330.54","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H56 Fe N4 Si4 -","- C23 H56 Fe N4 Si4 -","- C92 H224 Fe4 N16 Si16 -","4","1","","Benjamin M. Day; Thomas Pugh; Daniël Hendriks; Célia Fonseca Guerra; David J. Evans; F. Matthias Bickelhaupt; Richard A. Layfield","Normal-to-Abnormal Rearrangement and NHC Activation in Three-Coordinate Iron(II) Carbene Complexes","Journal of the American Chemical Society","2013","135","","13338","13341","10.1021/ja408589p","","","0.71073","MoKα","","0.0589","0.0429","","","0.0891","0.098","","","","","","1.072","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120786","26.705","0.002","9.3643","0.0006","18.1068","0.0015","90","","126.451","0.005","90","","3642.2","0.5","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H60 Fe N6 Si4 -","- C26 H60 Fe N6 Si4 -","- C104 H240 Fe4 N24 Si16 -","4","0.5","","Benjamin M. Day; Thomas Pugh; Daniël Hendriks; Célia Fonseca Guerra; David J. Evans; F. Matthias Bickelhaupt; Richard A. Layfield","Normal-to-Abnormal Rearrangement and NHC Activation in Three-Coordinate Iron(II) Carbene Complexes","Journal of the American Chemical Society","2013","135","","13338","13341","10.1021/ja408589p","","","0.7107","MoKα","","0.0541","0.0413","","","0.0937","0.0993","","","","","","1.046","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120787","17.0002","0.0011","15.8643","0.0009","18.0671","0.0011","90","","111.372","0.002","90","","4537.6","0.5","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H72 Br4 N2 O4 Re -","- C34 H72 Br4 N2 O4 Re -","- C136 H288 Br16 N8 O16 Re4 -","4","1","","José Martínez-Lillo; Teresa F. Mastropietro; Elsa Lhotel; Carley Paulsen; Joan Cano; Giovanni De Munno; Juan Faus; Francesc Lloret; Miguel Julve; Saritha Nellutla; J. Krzystek","Highly Anisotropic Rhenium(IV) Complexes: New Examples of Mononuclear Single-Molecule Magnets","Journal of the American Chemical Society","2013","135","","13737","13748","10.1021/ja403154z","","","0.71073","MoKα","","0.034","0.0234","","","0.0507","0.0547","","","","","","1.006","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120788","20.0617","0.0013","8.662","0.0006","21.4146","0.0014","90","","90.5","0.003","90","","3721.2","0.4","193","2","193","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 P2 Sn2 -","- C40 H40 P2 Sn2 -","- C160 H160 P8 Sn8 -","4","1","","Nicolas Lassauque; Pauline Gualco; Sonia Mallet-Ladeira; Karinne Miqueu; Abderrahmane Amgoune; Didier Bourissou","Activation of a σ-SnSn Bond at Copper, Followed by Double Addition to an Alkyne","Journal of the American Chemical Society","2013","135","","13827","13834","10.1021/ja405516j","","x-ray","0.71073","MoKα","","0.0413","0.0276","","","0.0855","0.1104","","","","","","1.204","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120789","21.7034","0.0009","11.9656","0.0005","28.3255","0.0012","90","","90.602","0.002","90","","7355.6","0.5","193","2","193","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C72 H52 Au B F24 P2 Sn2 -","- C72 H52 Au B F24 P2 Sn2 -","- C288 H208 Au4 B4 F96 P8 Sn8 -","4","1","","Nicolas Lassauque; Pauline Gualco; Sonia Mallet-Ladeira; Karinne Miqueu; Abderrahmane Amgoune; Didier Bourissou","Activation of a σ-SnSn Bond at Copper, Followed by Double Addition to an Alkyne","Journal of the American Chemical Society","2013","135","","13827","13834","10.1021/ja405516j","","x-ray","0.71073","MoKα","","0.0693","0.038","","","0.0838","0.0976","","","","","","1.013","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120790","13.1739","0.0009","15.1534","0.0011","19.8524","0.0013","89.141","0.003","80.629","0.003","88.954","0.003","3909.3","0.5","193","2","193","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C73.5 H55 B Cl3 Cu F24 P2 Sn2 -","- C73.5 H55 B Cl3 Cu F24 P2 Sn2 -","- C147 H110 B2 Cl6 Cu2 F48 P4 Sn4 -","2","1","","Nicolas Lassauque; Pauline Gualco; Sonia Mallet-Ladeira; Karinne Miqueu; Abderrahmane Amgoune; Didier Bourissou","Activation of a σ-SnSn Bond at Copper, Followed by Double Addition to an Alkyne","Journal of the American Chemical Society","2013","135","","13827","13834","10.1021/ja405516j","","x-ray","0.71073","MoKα","","0.0518","0.0386","","","0.0938","0.1042","","","","","","1.067","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120791","26.7541","0.0015","11.721","0.0005","27.3437","0.0014","90","","96.295","0.002","90","","8522.9","0.7","193","2","193","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 Br Cu O P2 Sn2 -","- C44 H48 Br Cu O P2 Sn2 -","- C352 H384 Br8 Cu8 O8 P16 Sn16 -","8","2","","Nicolas Lassauque; Pauline Gualco; Sonia Mallet-Ladeira; Karinne Miqueu; Abderrahmane Amgoune; Didier Bourissou","Activation of a σ-SnSn Bond at Copper, Followed by Double Addition to an Alkyne","Journal of the American Chemical Society","2013","135","","13827","13834","10.1021/ja405516j","","x-ray","0.71073","MoKα","","0.0952","0.045","","","0.0686","0.0816","","","","","","0.975","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120792","20.154","0.004","13.161","0.002","31.163","0.004","90","","95.553","0.005","90","","8227","2","193","2","193","2","","","","","","","synthesis as described","9","P 1 21/c 1","-P 2ybc","14","","","","- C78 H60 B Cl4 Cu F24 O2 P2 Sn2 -","- C78 H60 B Cl4 Cu F24 O2 P2 Sn2 -","- C312 H240 B4 Cl16 Cu4 F96 O8 P8 Sn8 -","4","1","","Nicolas Lassauque; Pauline Gualco; Sonia Mallet-Ladeira; Karinne Miqueu; Abderrahmane Amgoune; Didier Bourissou","Activation of a σ-SnSn Bond at Copper, Followed by Double Addition to an Alkyne","Journal of the American Chemical Society","2013","135","","13827","13834","10.1021/ja405516j","","x-ray","0.71073","MoKα","","0.0762","0.0681","","","0.1546","0.1591","","","","","","1.175","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120793","15.9827","0.0007","13.039","0.0005","21.3937","0.0009","90","","104.066","0.002","90","","4324.7","0.3","193","2","193","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Cl4 Cu Ga P2 Sn2 -","- C40 H40 Cl4 Cu Ga P2 Sn2 -","- C160 H160 Cl16 Cu4 Ga4 P8 Sn8 -","4","1","","Nicolas Lassauque; Pauline Gualco; Sonia Mallet-Ladeira; Karinne Miqueu; Abderrahmane Amgoune; Didier Bourissou","Activation of a σ-SnSn Bond at Copper, Followed by Double Addition to an Alkyne","Journal of the American Chemical Society","2013","135","","13827","13834","10.1021/ja405516j","","x-ray","0.71073","MoKα","","0.0661","0.0375","","","0.0892","0.1027","","","","","","1.022","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120794","18.8185","0.001","22.3182","0.0013","24.6188","0.0012","90","","97.898","0.004","90","","10241.7","1","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C118 H120 B2 Cu2 F8 N8 O4 -","- C118 H120 B2 Cu2 F8 N8 O4 -","- C472 H480 B8 Cu8 F32 N32 O16 -","4","0.5","","Lina K. Blusch; Kathryn E. Craigo; Vlad Martin-Diaconescu; Ashley B. McQuarters; Eckhard Bill; Sebastian Dechert; Serena DeBeer; Nicolai Lehnert; Franc Meyer","Hidden Non-Innocence in an Expanded Porphyrin: Electronic Structure of the Siamese-Twin Porphyrin's Dicopper Complex in Different Oxidation States","Journal of the American Chemical Society","2013","135","","13892","13899","10.1021/ja406176e","","","0.71073","MoKα","","0.13","0.0849","","","0.159","0.176","","","","","","1.138","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120795","6.1853","0.0002","7.5335","0.0003","16.1995","0.0006","91.001","0.007","92.437","0.007","90.097","0.007","754.05","0.05","93","","93","","","","","","","","","3","P 1","P 1","1","","","","- C22 H12 S2 -","- C22 H12 S2 -","- C44 H24 S4 -","2","2","","Takamichi Mori; Takeshi Nishimura; Tatsuya Yamamoto; Iori Doi; Eigo Miyazaki; Itaru Osaka; Kazuo Takimiya","Consecutive Thiophene-Annulation Approach to π-Extended Thienoacene-Based Organic Semiconductors with [1]Benzothieno[3,2-b][1]benzothiophene (BTBT) Substructure","Journal of the American Chemical Society","2013","135","","13900","13913","10.1021/ja406257u","","","1.54187","CuKα","","","0.0896","","","","0.1937","","","","","","1.433","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120796","40.29","0.002","7.8081","0.0004","5.9894","0.0003","90","","93.483","0.007","90","","1880.72","0.16","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H12 S4 -","- C26 H12 S4 -","- C104 H48 S16 -","4","1","","Takamichi Mori; Takeshi Nishimura; Tatsuya Yamamoto; Iori Doi; Eigo Miyazaki; Itaru Osaka; Kazuo Takimiya","Consecutive Thiophene-Annulation Approach to π-Extended Thienoacene-Based Organic Semiconductors with [1]Benzothieno[3,2-b][1]benzothiophene (BTBT) Substructure","Journal of the American Chemical Society","2013","135","","13900","13913","10.1021/ja406257u","","","1.54187","CuKα","","","0.1529","","","","0.3298","","","","","","1.14","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120797","15.394","0.009","11.4","0.007","23.46","0.014","90","","90","","90","","4117","4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H22 N2 O Si -","- C22 H22 N2 O Si -","- C176 H176 N16 O8 Si8 -","8","1","","Takahiro Shiba; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes","Journal of the American Chemical Society","2013","135","","13636","13639","10.1021/ja4068172","","","0.71073","MoKα","","0.0631","0.0477","","","0.1332","0.1461","","","","","","1.046","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120798","9.6834","0.0017","16.116","0.003","14.179","0.002","90","","91.826","0.003","90","","2211.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O Si2 -","- C20 H28 N2 O Si2 -","- C80 H112 N8 O4 Si8 -","4","1","","Takahiro Shiba; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes","Journal of the American Chemical Society","2013","135","","13636","13639","10.1021/ja4068172","","","0.71073","MoKα","","0.0635","0.0529","","","0.1492","0.1582","","","","","","1.052","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4120799","7.736","0.009","14.421","0.016","21.89","0.02","90","","90","","90","","2442","5","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H32 N2 O Si -","- C27 H32 N2 O Si -","- C108 H128 N8 O4 Si4 -","4","1","","Takahiro Shiba; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes","Journal of the American Chemical Society","2013","135","","13636","13639","10.1021/ja4068172","","","0.71073","MoKα","","0.0601","0.0512","","","0.1181","0.1233","","","","","","1.01","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120800","18.05","0.003","10.4739","0.0017","20.8","0.003","90","","90","","90","","3932.3","1.1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H22 N2 O Si -","- C22 H22 N2 O Si -","- C176 H176 N16 O8 Si8 -","8","1","","Takahiro Shiba; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes","Journal of the American Chemical Society","2013","135","","13636","13639","10.1021/ja4068172","","","0.71073","MoKα","","0.0655","0.0519","","","0.139","0.1497","","","","","","1.042","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120801","21.833","0.014","11.77","0.007","8.45","0.005","90","","90","","90","","2171","2","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H21 F3 N2 O Si -","- C23 H21 F3 N2 O Si -","- C92 H84 F12 N8 O4 Si4 -","4","1","","Takahiro Shiba; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes","Journal of the American Chemical Society","2013","135","","13636","13639","10.1021/ja4068172","","","0.71073","MoKα","","0.1301","0.0713","","","0.1529","0.1784","","","","","","1.02","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120802","12.6718","0.0014","15.7328","0.0017","12.0343","0.0013","90","","115.583","0.002","90","","2164","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O2 Si -","- C23 H24 N2 O2 Si -","- C92 H96 N8 O8 Si4 -","4","1","","Takahiro Shiba; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes","Journal of the American Chemical Society","2013","135","","13636","13639","10.1021/ja4068172","","","0.71073","MoKα","","0.0716","0.0532","","","0.1325","0.1439","","","","","","1.028","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120803","10.906","0.005","11.199","0.005","11.312","0.005","106.617","0.008","106.091","0.007","115.013","0.007","1066.2","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 N2 O2 Si -","- C23 H24 N2 O2 Si -","- C46 H48 N4 O4 Si2 -","2","1","","Takahiro Shiba; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes","Journal of the American Chemical Society","2013","135","","13636","13639","10.1021/ja4068172","","","0.71073","MoKα","","0.0612","0.0547","","","0.151","0.1578","","","","","","1.063","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120804","16.581","0.005","16.581","0.005","78.3","0.02","90","","90","","90","","21527","11","110","2","110","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","PCN225","","","- C48 H26 N4 O16 Zr3 -","- C48 H25 N4 O16 Zr3 -","- C384 H200 N32 O128 Zr24 -","8","0.25","","Hai-Long Jiang; Dawei Feng; Kecheng Wang; Zhi-Yuan Gu; Zhangwen Wei; Ying-Pin Chen; Hong-Cai Zhou","An Exceptionally Stable, Porphyrinic Zr Metal-Organic Framework Exhibiting pH-Dependent Fluorescence","Journal of the American Chemical Society","2013","135","","13934","13938","10.1021/ja406844r","","","0.71073","MoKα","","0.1217","0.0557","","","0.1441","0.1709","","","","","","0.955","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120805","10.321","0.0001","21.836","0.0003","10.407","0.0002","90","","94.612","0.001","90","","2337.82","0.06","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H60 Br Cl4 N4 Ni -","- C46 H60 Br Cl4 N4 Ni -","- C92 H120 Br2 Cl8 N8 Ni2 -","2","1","","Rebecca C. Poulten; Michael J. Page; Andrés G. Algarra; Jennifer J. Le Roy; Isidoro López; Emma Carter; Antoni Llobet; Stuart A. Macgregor; Mary F. Mahon; Damien M. Murphy; Muralee Murugesu; Michael K. Whittlesey","Synthesis, Electronic Structure, and Magnetism of [Ni(6-Mes)2]+: A Two-Coordinate Nickel(I) Complex Stabilized by Bulky N-Heterocyclic Carbenes","Journal of the American Chemical Society","2013","135","","13640","13643","10.1021/ja407004y","","","0.71073","MoKα","","0.0567","0.0365","","","0.0842","0.0935","","","","","","1.018","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120806","10.369","0.0002","21.218","0.0005","17.609","0.0005","90","","93.369","0.001","90","","3867.45","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 N4 Ni -","- C44 H56 N4 Ni -","- C176 H224 N16 Ni4 -","4","1","","Rebecca C. Poulten; Michael J. Page; Andrés G. Algarra; Jennifer J. Le Roy; Isidoro López; Emma Carter; Antoni Llobet; Stuart A. Macgregor; Mary F. Mahon; Damien M. Murphy; Muralee Murugesu; Michael K. Whittlesey","Synthesis, Electronic Structure, and Magnetism of [Ni(6-Mes)2]+: A Two-Coordinate Nickel(I) Complex Stabilized by Bulky N-Heterocyclic Carbenes","Journal of the American Chemical Society","2013","135","","13640","13643","10.1021/ja407004y","","","0.71073","MoKα","","0.062","0.0436","","","0.0967","0.1053","","","","","","1.041","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120807","15.959","0.007","13.032","0.005","15.286","0.006","90","","98.213","0.006","90","","3147","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 N6 O4 -","- C37 H32 N6 O4 -","- C148 H128 N24 O16 -","4","0.5","","Kenji Mishiro; Takumi Furuta; Takahiro Sasamori; Kazuhiro Hayashi; Norihiro Tokitoh; Shiroh Futaki; Takeo Kawabata","A Cyclochiral Conformational Motif Constructed Using a Robust Hydrogen-Bonding Network","Journal of the American Chemical Society","2013","135","","13644","13647","10.1021/ja407051k","","","0.7107","MoKα","","0.0901","0.0581","","","0.1263","0.1444","","","","","","1.058","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120808","9.0103","0.0002","14.1379","0.0002","39.4878","0.0009","90","","90","","90","","5030.22","0.18","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C61 H56 N6 O4 -","- C61 H56 N6 O4 -","- C244 H224 N24 O16 -","4","1","","Kenji Mishiro; Takumi Furuta; Takahiro Sasamori; Kazuhiro Hayashi; Norihiro Tokitoh; Shiroh Futaki; Takeo Kawabata","A Cyclochiral Conformational Motif Constructed Using a Robust Hydrogen-Bonding Network","Journal of the American Chemical Society","2013","135","","13644","13647","10.1021/ja407051k","","","0.71069","MoKα","","0.1307","0.0539","","","0.0922","0.1154","","","","","","1.012","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120809","11.163","0.002","13.06","0.003","18.647","0.004","78.474","0.012","77.185","0.011","66.703","0.008","2415.5","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 F2 N2 Si -","- C28 H26 F2 N2 Si -","- C112 H104 F8 N8 Si4 -","4","2","","Daniel A. Evans; Ignacio Vargas-Baca; Alan H. Cowley","Sterically Directed Functionalization of the Redox-Active Bis(imino)acenaphthene Ligand Class: An Experimental and Theoretical Investigation","Journal of the American Chemical Society","2013","135","","13939","13946","10.1021/ja407070y","","","0.71069","MoKα","","0.0772","0.0663","","","0.1442","0.1506","","","","","","1.174","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120810","10.845","0.007","11.297","0.007","11.508","0.007","107.901","0.003","93.623","0.007","113.27","0.006","1204.7","1.3","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 F2 N2 Si -","- C28 H26 F2 N2 Si -","- C56 H52 F4 N4 Si2 -","2","1","","Daniel A. Evans; Ignacio Vargas-Baca; Alan H. Cowley","Sterically Directed Functionalization of the Redox-Active Bis(imino)acenaphthene Ligand Class: An Experimental and Theoretical Investigation","Journal of the American Chemical Society","2013","135","","13939","13946","10.1021/ja407070y","","","0.71069","MoKα","","0.0824","0.0546","","","0.1366","0.1694","","","","","","1.103","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120811","11.1004","0.0009","11.3249","0.0009","22.3211","0.0018","76.401","0.002","83.103","0.002","74.218","0.003","2619.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N2 O2 Si -","- C30 H32 N2 O2 Si -","- C120 H128 N8 O8 Si4 -","4","2","","Daniel A. Evans; Ignacio Vargas-Baca; Alan H. Cowley","Sterically Directed Functionalization of the Redox-Active Bis(imino)acenaphthene Ligand Class: An Experimental and Theoretical Investigation","Journal of the American Chemical Society","2013","135","","13939","13946","10.1021/ja407070y","","","0.71073","MoKα","","0.0891","0.0621","","","0.1459","0.1602","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120812","16.0915","0.001","13.7972","0.0008","13.2201","0.0008","90","","93.402","0.002","90","","2929.9","0.3","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 N2 Si -","- C34 H40 N2 Si -","- C136 H160 N8 Si4 -","4","1","","Daniel A. Evans; Ignacio Vargas-Baca; Alan H. Cowley","Sterically Directed Functionalization of the Redox-Active Bis(imino)acenaphthene Ligand Class: An Experimental and Theoretical Investigation","Journal of the American Chemical Society","2013","135","","13939","13946","10.1021/ja407070y","","","0.71069","MoKα","","0.0714","0.0536","","","0.1192","0.1286","","","","","","1.059","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120813","13.782","0.003","15.462","0.003","17.085","0.003","95.165","0.002","112.367","0.003","103.013","0.002","3217.4","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H46 N2 -","- C38 H46 N2 -","- C152 H184 N8 -","4","2","","Daniel A. Evans; Ignacio Vargas-Baca; Alan H. Cowley","Sterically Directed Functionalization of the Redox-Active Bis(imino)acenaphthene Ligand Class: An Experimental and Theoretical Investigation","Journal of the American Chemical Society","2013","135","","13939","13946","10.1021/ja407070y","","","0.71073","MoKα","","0.0709","0.0619","","","0.1458","0.1522","","","","","","1.114","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120814","9.612","0.002","10.093","0.002","22.779","0.005","90","","95.446","0.005","90","","2199.9","0.8","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 F2 N2 -","- C28 H24 F2 N2 -","- C112 H96 F8 N8 -","4","1","","Daniel A. Evans; Ignacio Vargas-Baca; Alan H. Cowley","Sterically Directed Functionalization of the Redox-Active Bis(imino)acenaphthene Ligand Class: An Experimental and Theoretical Investigation","Journal of the American Chemical Society","2013","135","","13939","13946","10.1021/ja407070y","","","0.71069","MoKα","","0.0832","0.0556","","","0.1192","0.1354","","","","","","1.086","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120815","9.429","0.005","10.021","0.005","13.394","0.007","88.241","0.018","72.045","0.01","82.134","0.017","1192.5","1.1","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O2 -","- C30 H30 N2 O2 -","- C60 H60 N4 O4 -","2","1","","Daniel A. Evans; Ignacio Vargas-Baca; Alan H. Cowley","Sterically Directed Functionalization of the Redox-Active Bis(imino)acenaphthene Ligand Class: An Experimental and Theoretical Investigation","Journal of the American Chemical Society","2013","135","","13939","13946","10.1021/ja407070y","","","0.71069","MoKα","","0.1054","0.0624","","","0.1438","0.1813","","","","","","1.238","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120816","5.6081","0.0002","10.3356","0.0003","21.8076","0.0005","90","","93.5718","0.0009","90","","1261.58","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O3 S -","- C13 H15 N O3 S -","- C52 H60 N4 O12 S4 -","4","1","","Tomoya Miura; Takamasa Tanaka; Kentaro Hiraga; Scott G. Stewart; Masahiro Murakami","Stereoselective Synthesis of 2,3-Dihydropyrroles from Terminal Alkynes, Azides, and α,β-Unsaturated Aldehydes via N-Sulfonyl-1,2,3-triazoles","Journal of the American Chemical Society","2013","135","","13652","13655","10.1021/ja407166r","","","0.71075","MoKα","","0.0376","0.0356","","","0.1056","0.107","","","","","","1.221","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120817","26.5585","0.0009","23.3363","0.0009","20.8898","0.0007","90","","123.79","0.002","90","","10760","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Complex 1","","","- C96 H94 Cl2 N8 O6 Th2 -","- C96 H94 Cl2 N8 O6 Th2 -","- C384 H376 Cl8 N32 O24 Th8 -","4","0.5","","Ashleigh L. Ward; Heather L. Buckley; Wayne W. Lukens; John Arnold","Synthesis and Characterization of Thorium(IV) and Uranium(IV) Corrole Complexes","Journal of the American Chemical Society","2013","135","","13965","13971","10.1021/ja407203s","","","0.71073","MoKα","","0.0757","0.0474","","","0.1094","0.1183","","","","","","0.98","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120818","27.0738","0.0014","23.6955","0.0012","20.6036","0.0011","90","","123.272","0.002","90","","11051.1","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Complex 2","","","- C96 H94 Cl2 N8 O6 U2 -","- C96 H94 Cl2 N8 O6 U2 -","- C384 H376 Cl8 N32 O24 U8 -","4","0.5","","Ashleigh L. Ward; Heather L. Buckley; Wayne W. Lukens; John Arnold","Synthesis and Characterization of Thorium(IV) and Uranium(IV) Corrole Complexes","Journal of the American Chemical Society","2013","135","","13965","13971","10.1021/ja407203s","","","0.71073","MoKα","","0.0833","0.0527","","","0.145","0.1544","","","","","","1.038","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120819","9.671","0.004","16.829","0.007","16.875","0.007","90","","96.35","0.02","90","","2730","2","100","","100","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C56.11 H83.29 Cl0.94 F5 N O2 P2 Pd -","- C56.12 H83.3 Cl0.94 F5 N O2 P2 Pd -","- C112.24 H166.6 Cl1.88 F10 N2 O4 P4 Pd2 -","2","0.5","","Wan Pyo Hong; Andrei V. Iosub; Shannon S. Stahl","Pd-Catalyzed Semmler-Wolff Reactions for the Conversion of Substituted Cyclohexenone Oximes to Primary Anilines","Journal of the American Chemical Society","2013","135","","13664","13667","10.1021/ja4073172","","x-ray","0.71073","MoKα","K-L~3~","0.0469","0.0396","","","0.0934","0.0973","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","178985","2020-10-21","18:00:00",""
"4120820","14.3598","0.0005","14.7448","0.0005","19.1321","0.0007","109.505","0.002","99.339","0.002","104.361","0.002","3563.4","0.2","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C68 H49 B F24 Fe2 N O4 P2 S2 -","- C68 H49 B F24 Fe2 N O4 P2 S2 -","- C136 H98 B2 F48 Fe4 N2 O8 P4 S4 -","2","1","","Ning Wang; Mei Wang; Ying Wang; Dehua Zheng; Hongxian Han; Mårten S. G. Ahlquist; Licheng Sun","Catalytic Activation of H2 under Mild Conditions by an [FeFe]-Hydrogenase Model via an Active μ-Hydride Species","Journal of the American Chemical Society","2013","135","","13688","13691","10.1021/ja408376t","","","0.71073","MoKα","","0.0916","0.0579","","","0.136","0.15","","","","","","1.07","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120821","17.2205","0.0002","6.3693","0.0001","33.4339","0.0005","90","","95.41","0.001","90","","3650.78","0.09","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H28 Cl6 -","- C46 H28 Cl6 -","- C184 H112 Cl24 -","4","1","","Radha Bhola; Payam Payamyar; Daniel J. Murray; Bharat Kumar; Aaron J. Teator; Martin U. Schmidt; Sonja M. Hammer; Animesh Saha; Junji Sakamoto; A. Dieter Schlüter; Benjamin T. King","A Two-Dimensional Polymer from the Anthracene Dimer and Triptycene Motifs","Journal of the American Chemical Society","2013","135","","14134","14141","10.1021/ja404351p","","","0.71073","MoKα","","0.0788","0.0496","","","0.1336","0.1458","","","","","","1.048","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120822","17.2942","0.0007","6.4333","0.0003","34.1461","0.0014","90","","96.029","0.001","90","","3778","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 F2 -","- C56 H36 F2 -","- C224 H144 F8 -","4","1","","Radha Bhola; Payam Payamyar; Daniel J. Murray; Bharat Kumar; Aaron J. Teator; Martin U. Schmidt; Sonja M. Hammer; Animesh Saha; Junji Sakamoto; A. Dieter Schlüter; Benjamin T. King","A Two-Dimensional Polymer from the Anthracene Dimer and Triptycene Motifs","Journal of the American Chemical Society","2013","135","","14134","14141","10.1021/ja404351p","","","0.71073","MoKα","","0.1436","0.0964","","","0.2668","0.2906","","","","","","1.074","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120823","16.1372","0.0004","6.3565","0.0002","20.2635","0.0006","90","","97.087","0.002","90","","2062.67","0.1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C56 H50 O3 -","- C56 H50 O3 -","- C112 H100 O6 -","2","1","","Radha Bhola; Payam Payamyar; Daniel J. Murray; Bharat Kumar; Aaron J. Teator; Martin U. Schmidt; Sonja M. Hammer; Animesh Saha; Junji Sakamoto; A. Dieter Schlüter; Benjamin T. King","A Two-Dimensional Polymer from the Anthracene Dimer and Triptycene Motifs","Journal of the American Chemical Society","2013","135","","14134","14141","10.1021/ja404351p","","","0.71073","MoKα","","0.2126","0.0859","","","0.189","0.2508","","","","","","0.945","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120824","6.9562","0.0017","16.429","0.004","19.163","0.005","74.965","0.004","84.177","0.004","81.55","0.004","2087.5","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H38 Br6 -","- C50 H38 Br6 -","- C100 H76 Br12 -","2","1","","Radha Bhola; Payam Payamyar; Daniel J. Murray; Bharat Kumar; Aaron J. Teator; Martin U. Schmidt; Sonja M. Hammer; Animesh Saha; Junji Sakamoto; A. Dieter Schlüter; Benjamin T. King","A Two-Dimensional Polymer from the Anthracene Dimer and Triptycene Motifs","Journal of the American Chemical Society","2013","135","","14134","14141","10.1021/ja404351p","","","0.71073","MoKα","","0.1392","0.0954","","","0.278","0.2939","","","","","","1.073","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120825","17.398","0.002","6.4422","0.0008","34.255","0.005","90","","95.672","0.002","90","","3820.6","0.9","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C56 H38 -","- C56 H38 -","- C224 H152 -","4","1","","Radha Bhola; Payam Payamyar; Daniel J. Murray; Bharat Kumar; Aaron J. Teator; Martin U. Schmidt; Sonja M. Hammer; Animesh Saha; Junji Sakamoto; A. Dieter Schlüter; Benjamin T. King","A Two-Dimensional Polymer from the Anthracene Dimer and Triptycene Motifs","Journal of the American Chemical Society","2013","135","","14134","14141","10.1021/ja404351p","","","0.71073","MoKα","","0.1616","0.0956","","","0.234","0.26","","","","","","1.051","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120826","13.49","0.004","11.504","0.003","13.834","0.004","90","","113.793","0.004","90","","1964.4","1","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 B2 F8 N4 Pd -","- C17 H14 B2 F8 N4 Pd -","- C68 H56 B8 F32 N16 Pd4 -","4","1","","Anthony R. Mazzotti; Michael G. Campbell; Pingping Tang; Jennifer M. Murphy; Tobias Ritter","Palladium(III)-Catalyzed Fluorination of Arylboronic Acid Derivatives","Journal of the American Chemical Society","2013","135","","14012","14015","10.1021/ja405919z","","","0.71073","MoKα","","0.0611","0.0501","","","0.1312","0.1398","","","","","","1.05","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120827","15.0771","0.0006","17.672","0.0007","15.6002","0.0006","90","","99.83","0.001","90","","4095.5","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 B3 F12 N6 Pd -","- C30 H22 B3 F12 N6 Pd -","- C120 H88 B12 F48 N24 Pd4 -","4","1","","Anthony R. Mazzotti; Michael G. Campbell; Pingping Tang; Jennifer M. Murphy; Tobias Ritter","Palladium(III)-Catalyzed Fluorination of Arylboronic Acid Derivatives","Journal of the American Chemical Society","2013","135","","14012","14015","10.1021/ja405919z","","","0.71073","MoKα","","0.0867","0.0767","","","0.2027","0.209","","","","","","1.039","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120828","12.1099","0.0007","12.6815","0.0008","20.7558","0.0013","90","","90.08","0.001","90","","3187.5","0.3","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 B2 F8 N6 O Pd -","- C32 H27 B2 F8 N6 O0.5 Pd -","- C128 H108 B8 F32 N24 O2 Pd4 -","4","1","","Anthony R. Mazzotti; Michael G. Campbell; Pingping Tang; Jennifer M. Murphy; Tobias Ritter","Palladium(III)-Catalyzed Fluorination of Arylboronic Acid Derivatives","Journal of the American Chemical Society","2013","135","","14012","14015","10.1021/ja405919z","","","0.71073","MoKα","","0.0281","0.0244","","","0.058","0.0602","","","","","","1.026","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120829","9.7835","0.0014","12.3525","0.0017","16.842","0.002","104.147","0.002","103.269","0.002","100.107","0.002","1862.2","0.4","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C32 H25 B4 F16 N7 Na Pd -","- C32 H25 B4 F16 N7 Na Pd -","- C64 H50 B8 F32 N14 Na2 Pd2 -","2","1","","Anthony R. Mazzotti; Michael G. Campbell; Pingping Tang; Jennifer M. Murphy; Tobias Ritter","Palladium(III)-Catalyzed Fluorination of Arylboronic Acid Derivatives","Journal of the American Chemical Society","2013","135","","14012","14015","10.1021/ja405919z","","","0.71073","MoKα","","0.0554","0.0456","","","0.1106","0.1166","","","","","","1.056","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120830","19.2095","0.0005","19.2095","0.0005","36.0245","0.0009","90","","90","","120","","11512.3","0.5","228","2","228","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C86 H42 Br6 Cr3 N6 O42 Zn6 -","- C85.98 H42 Br6 Cr3 N6 O42 Zn6 -","- C171.96 H84 Br12 Cr6 N12 O84 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0571","0.0459","","","0.1493","0.1591","","","","","","1.079","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120831","19.0306","0.0005","19.0306","0.0005","36.2445","0.0008","90","","90","","120","","11367.8","0.5","228","2","228","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C77 H36 Cr3 N6 O48 Zn6 -","- C76.98 H36 Cr3 N6 O48 Zn6 -","- C153.96 H72 Cr6 N12 O96 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0379","0.0334","","","0.0923","0.0956","","","","","","1.068","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120832","18.9479","0.0004","18.9479","0.0004","35.9127","0.0008","90","","90","","120","","11166.1","0.4","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C86 H48 Cr3 N6 O42 Zn6 -","- C85.98 H48 Cr3 N6 O42 Zn6 -","- C171.96 H96 Cr6 N12 O84 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0655","0.0513","","","0.1701","0.1792","","","","","","1.073","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120833","19.277","0.005","19.277","0.005","36.023","0.009","90","","90","","120","","11593","5","228","2","228","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C92 H60 Cr3 N6 O42 Zn6 -","- C91.98 H60 Cr3 N6 O42 Zn6 -","- C183.96 H120 Cr6 N12 O84 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.065","0.0471","","","0.1231","0.1297","","","","","","1.011","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120834","19.1692","0.0012","19.1692","0.0012","35.986","0.004","90","","90","","120","","11451.8","1.6","228","2","228","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C85 H54 Cr3 N12 O43 Zn6 -","- C85.002 H54 Cr3 N12 O43.002 Zn6 -","- C170.004 H108 Cr6 N24 O86.004 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0626","0.0549","","","0.1808","0.1887","","","","","","1.148","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120835","19.2087","0.001","19.2087","0.001","36.042","0.004","90","","90","","120","","11516.9","1.5","228","2","228","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C86 H42 Cr3 N12 O54 Zn6 -","- C85.98 H42 Cr3 N12 O54 Zn6 -","- C171.96 H84 Cr6 N24 O108 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0701","0.0493","","","0.1234","0.1301","","","","","","1.096","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120836","19.204","0.0014","19.204","0.0014","35.998","0.003","90","","90","","120","","11497.2","1.5","228","2","228","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C87.5 H48 Cr3 N6 O48 Zn6 -","- C87.48 H48 Cr3 N6 O48 Zn6 -","- C174.96 H96 Cr6 N12 O96 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0515","0.0408","","","0.1187","0.1241","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120837","19.2343","0.0007","19.2343","0.0007","36.009","0.0013","90","","90","","120","","11537","0.7","228","2","228","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C92 H60 Cr3 N6 O48 Zn6 -","- C91.98 H60 Cr3 N6 O48 Zn6 -","- C183.96 H120 Cr6 N12 O96 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0553","0.0471","","","0.1487","0.1568","","","","","","1.094","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120838","19.0495","0.0005","19.0495","0.0005","36.0366","0.0009","90","","90","","120","","11325.1","0.5","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C110 H96 Cr3 N6 O42 Zn6 -","- C109.98 H96 Cr3 N6 O42 Zn6 -","- C219.96 H192 Cr6 N12 O84 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0673","0.0605","","","0.1845","0.1925","","","","","","1.11","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120839","12.08096","0.00014","18.3226","0.0002","12.90108","0.00015","90","","94.6216","0.001","90","","2846.43","0.06","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 B2 F8 Fe N6 -","- C25 H24 B2 F8 Fe N6 -","- C100 H96 B8 F32 Fe4 N24 -","4","1","","Alison C. McQuilken; Yang Ha; Kyle D. Sutherlin; Maxime A. Siegler; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Guy N. L. Jameson; David P. Goldberg","Preparation of Non-heme {FeNO}7 Models of Cysteine Dioxygenase: Sulfur versus Nitrogen Ligation and Photorelease of Nitric Oxide","Journal of the American Chemical Society","2013","135","","14024","14027","10.1021/ja4064487","","","0.71073","MoKα","","0.047","0.0386","","","0.1004","0.1041","","","","","","1.067","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120840","11.65041","0.00018","14.6344","0.0002","28.0712","0.0005","90","","90","","90","","4786.05","0.13","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H21 B F4 Fe N5 O S -","- C24 H21 B F4 Fe N5 O S -","- C192 H168 B8 F32 Fe8 N40 O8 S8 -","8","1","","Alison C. McQuilken; Yang Ha; Kyle D. Sutherlin; Maxime A. Siegler; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Guy N. L. Jameson; David P. Goldberg","Preparation of Non-heme {FeNO}7 Models of Cysteine Dioxygenase: Sulfur versus Nitrogen Ligation and Photorelease of Nitric Oxide","Journal of the American Chemical Society","2013","135","","14024","14027","10.1021/ja4064487","","","0.71073","MoKα","","0.0447","0.0364","","","0.0908","0.0948","","","","","","1.037","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120841","17.0215","0.0003","12.70711","0.00018","12.66693","0.00019","90","","90","","90","","2739.78","0.07","110","2","110","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C24 H25 B1.82 Cl0.18 F7.27 Fe N6 O2 -","- C24 H25 B1.816 Cl0.184 F7.264 Fe N6 O2 -","- C96 H100 B7.264 Cl0.736 F29.056 Fe4 N24 O8 -","4","1","","Alison C. McQuilken; Yang Ha; Kyle D. Sutherlin; Maxime A. Siegler; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Guy N. L. Jameson; David P. Goldberg","Preparation of Non-heme {FeNO}7 Models of Cysteine Dioxygenase: Sulfur versus Nitrogen Ligation and Photorelease of Nitric Oxide","Journal of the American Chemical Society","2013","135","","14024","14027","10.1021/ja4064487","","","0.71073","MoKα","","0.0369","0.0319","","","0.082","0.0839","","","","","","1.044","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120842","42.06","0.008","11.926","0.002","15.447","0.003","90","","104.51","0.03","90","","7501","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H57 N O6 Si -","- C38 H57 N O6 Si -","- C304 H456 N8 O48 Si8 -","8","1","","Yuan Shi; Jeremy T. Wilmot; Lars Ulrik Nordstrøm; Derek S. Tan; David Y. Gin","Total Synthesis, Relay Synthesis, and Structural Confirmation of the C18-Norditerpenoid Alkaloid Neofinaconitine","Journal of the American Chemical Society","2013","135","","14313","14320","10.1021/ja4064958","","","0.71073","MoKα","","0.1187","0.0783","","","0.2035","0.2307","","","","","","1.055","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120843","7.714","0.0015","15.131","0.003","20.518","0.004","73.44","0.03","88.29","0.03","75.53","0.03","2220.5","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H69 N O7 Si2 -","- C44 H69 N O7 Si2 -","- C88 H138 N2 O14 Si4 -","2","1","","Yuan Shi; Jeremy T. Wilmot; Lars Ulrik Nordstrøm; Derek S. Tan; David Y. Gin","Total Synthesis, Relay Synthesis, and Structural Confirmation of the C18-Norditerpenoid Alkaloid Neofinaconitine","Journal of the American Chemical Society","2013","135","","14313","14320","10.1021/ja4064958","","","0.71073","MoKα","","0.2446","0.1886","","","0.4121","0.4428","","","","","","1.176","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120844","12.855","0.003","11.319","0.002","17.342","0.004","90","","108.73","0.03","90","","2389.7","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Br2 N O5 -","- C24 H31 Br2 N O5 -","- C96 H124 Br8 N4 O20 -","4","1","","Yuan Shi; Jeremy T. Wilmot; Lars Ulrik Nordstrøm; Derek S. Tan; David Y. Gin","Total Synthesis, Relay Synthesis, and Structural Confirmation of the C18-Norditerpenoid Alkaloid Neofinaconitine","Journal of the American Chemical Society","2013","135","","14313","14320","10.1021/ja4064958","","","0.71073","MoKα","","0.0678","0.0442","","","0.0837","0.0911","","","","","","1.04","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120845","8.8743","0.0014","14.678","0.002","11.0685","0.0018","90","","110.243","0.002","90","","1352.7","0.4","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H42 N2 O6 -","- C30 H42 N2 O6 -","- C60 H84 N4 O12 -","2","1","","Yuan Shi; Jeremy T. Wilmot; Lars Ulrik Nordstrøm; Derek S. Tan; David Y. Gin","Total Synthesis, Relay Synthesis, and Structural Confirmation of the C18-Norditerpenoid Alkaloid Neofinaconitine","Journal of the American Chemical Society","2013","135","","14313","14320","10.1021/ja4064958","","","0.71073","MoKα","","0.0579","0.047","","","0.12","0.1264","","","","","","1.002","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120846","8.8685","0.0015","11.5116","0.0018","12.3562","0.0017","84.247","0.005","82.647","0.005","80.286","0.005","1229.1","0.3","198","2","198","2","","","","","","","","6","P 1","P 1","1","ccs19feb`13","","","- C42 H90 Li4 N2 O2 Si2 -","- C42 H90 Li4 N2 O2 Si2 -","- C42 H90 Li4 N2 O2 Si2 -","1","1","","Chicheung Su; Russell Hopson; Paul G. Williard","Mixed Aggregates of an Alkyl Lithium Reagent and a Chiral Lithium Amide Derived from N-Ethyl-O-triisopropylsilyl Valinol","Journal of the American Chemical Society","2013","135","","14367","14379","10.1021/ja406912h","","","0.71073","","","0.08","0.0753","","","0.2239","0.2268","","","","","","1.095","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120847","9.8498","0.0003","5.9404","0.0002","18.9767","0.0007","90","","92.249","0.002","90","","1109.5","0.06","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H30 N2 O6 -","- C22 H30 N2 O6 -","- C44 H60 N4 O12 -","2","1","","Paul E. Gormisky; M. Christina White","Catalyst-Controlled Aliphatic C-H Oxidations with a Predictive Model for Site-Selectivity","Journal of the American Chemical Society","2013","135","","14052","14055","10.1021/ja407388y","","","1.54178","CuKα","","0.0455","0.0389","","","0.0999","0.1041","","","","","","1.082","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120848","9.516","0.003","14.05","0.004","14.83","0.004","92.273","0.004","104.028","0.004","101.858","0.004","1874.2","0.9","183","2","183","2","","","","","","","","4","P 1","P 1","1","","","","- C75 H92 Br2 O23 -","- C75 H92 Br2 O23 -","- C75 H92 Br2 O23 -","1","1","","Paul E. Gormisky; M. Christina White","Catalyst-Controlled Aliphatic C-H Oxidations with a Predictive Model for Site-Selectivity","Journal of the American Chemical Society","2013","135","","14052","14055","10.1021/ja407388y","","","0.71073","MoKα","","0.0797","0.0502","","","0.0895","0.1027","","","","","","0.975","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120849","12.723","0.0018","17.163","0.002","12.9667","0.0018","90","","115.038","0.001","90","","2565.4","0.6","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H39 F24 Fe N7 Sb2 -","- C42 H39 F24 Fe N7 Sb2 -","- C84 H78 F48 Fe2 N14 Sb4 -","2","1","","Paul E. Gormisky; M. Christina White","Catalyst-Controlled Aliphatic C-H Oxidations with a Predictive Model for Site-Selectivity","Journal of the American Chemical Society","2013","135","","14052","14055","10.1021/ja407388y","","","0.71073","MoKα","","0.0241","0.0229","","","0.0551","0.0558","","","","","","1.006","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4120850","26.927","0.0014","26.7769","0.0013","8.3326","0.0004","90","","90","","90","","6008","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H30 F12 N6 Ni P2 -","- C28 H23.5 F12 N6.5 Ni P2 -","- C224 H188 F96 N52 Ni8 P16 -","8","2","","V. Sara Thoi; Nikolay Kornienko; Charles G. Margarit; Peidong Yang; Christopher J. Chang","Visible-Light Photoredox Catalysis: Selective Reduction of Carbon Dioxide to Carbon Monoxide by a Nickel N-Heterocyclic Carbene-Isoquinoline Complex","Journal of the American Chemical Society","2013","135","","14413","14424","10.1021/ja4074003","","","0.71073","MoKα","","0.0719","0.0441","","","0.0751","0.085","","","","","","0.943","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120851","18.841","0.0008","8.3036","0.0004","22.2817","0.0009","90","","104.364","0.001","90","","3377","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 F12 N8 Ni P2 -","- C31 H28 F12 N8 Ni P2 -","- C124 H112 F48 N32 Ni4 P8 -","4","1","","V. Sara Thoi; Nikolay Kornienko; Charles G. Margarit; Peidong Yang; Christopher J. Chang","Visible-Light Photoredox Catalysis: Selective Reduction of Carbon Dioxide to Carbon Monoxide by a Nickel N-Heterocyclic Carbene-Isoquinoline Complex","Journal of the American Chemical Society","2013","135","","14413","14424","10.1021/ja4074003","","","0.71073","MoKα","","0.0256","0.0244","","","0.0656","0.0665","","","","","","1.057","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120852","13.244","0.0005","10.67","0.0004","21.476","0.0009","90","","107.91","0.001","90","","2887.8","0.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 F12 N6 Ni P2 -","- C27 H22 F12 N6 Ni P2 -","- C108 H88 F48 N24 Ni4 P8 -","4","0.5","","V. Sara Thoi; Nikolay Kornienko; Charles G. Margarit; Peidong Yang; Christopher J. Chang","Visible-Light Photoredox Catalysis: Selective Reduction of Carbon Dioxide to Carbon Monoxide by a Nickel N-Heterocyclic Carbene-Isoquinoline Complex","Journal of the American Chemical Society","2013","135","","14413","14424","10.1021/ja4074003","","","0.71073","MoKα","","0.0327","0.0309","","","0.0761","0.0769","","","","","","1.145","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120853","15.511","0.005","15.733","0.005","15.691","0.005","90","0.005","110.864","0.005","90","0.005","3578","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H32 F12 N8 Ni P2 -","- C33 H32 F12 N8 Ni P2 -","- C132 H128 F48 N32 Ni4 P8 -","4","1","","V. Sara Thoi; Nikolay Kornienko; Charles G. Margarit; Peidong Yang; Christopher J. Chang","Visible-Light Photoredox Catalysis: Selective Reduction of Carbon Dioxide to Carbon Monoxide by a Nickel N-Heterocyclic Carbene-Isoquinoline Complex","Journal of the American Chemical Society","2013","135","","14413","14424","10.1021/ja4074003","","","0.71069","MoKα","","0.0778","0.0476","","","0.0775","0.0871","","","","","","1.066","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120854","7.1761","0.0015","10.402","0.002","10.811","0.002","97.229","0.003","101.48","0.003","107.079","0.003","741.2","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C40 H30 N2 O6 -","2","2","","Qing-Long Xu; Hongyin Gao; Muhammed Yousufuddin; Daniel H. Ess; László Kürti","Aerobic, Transition-Metal-Free, Direct, and Regiospecific Mono-α-arylation of Ketones: Synthesis and Mechanism by DFT Calculations","Journal of the American Chemical Society","2013","135","","14048","14051","10.1021/ja4074563","","","0.71073","MoKα","","0.0785","0.0732","","","0.2233","0.2307","","","","","","1.066","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120855","21.2359","0.0019","21.2359","0.0019","27.653","0.002","90","","90","","90","","12470.5","1.8","100","","100","","","","","","","","","6","P 43","P 4cw","78","","","","- C122 H144 Cl N31 Na O24.5 -","- C122 H144 Cl N31 Na O24.5 -","- C488 H576 Cl4 N124 Na4 O98 -","4","1","","Yuran Hua; Yun Liu; Chun-Hsing Chen; Amar H. Flood","Hydrophobic Collapse of Foldamer Capsules Drives Picomolar-Level Chloride Binding in Aqueous Acetonitrile Solutions","Journal of the American Chemical Society","2013","135","","14401","14412","10.1021/ja4074744","","","0.41328","Synchrotron","","0.1077","0.085","","0.2478","0.2238","0.2467","","","","","","0.9579","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120856","35.3553","0.0019","7.4854","0.0004","18.9653","0.001","90","","109.426","0.001","90","","4733.4","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","mer-tricloronitrido(4,7-diphenyl-1,10-phenanthroline)osmium(IV)","","- C24 H16 Cl3 N3 Os -","- C24 H16 Cl3 N3 Os -","- C192 H128 Cl24 N24 Os8 -","8","1","","Kogularamanan Suntharalingam; Timothy C. Johnstone; Peter M. Bruno; Wei Lin; Michael T. Hemann; Stephen J. Lippard","Bidentate Ligands on Osmium(VI) Nitrido Complexes Control Intracellular Targeting and Cell Death Pathways","Journal of the American Chemical Society","2013","135","","14060","14063","10.1021/ja4075375","","","0.71073","MoKα","","0.0918","0.0828","","","0.2138","0.2185","","","","","","1.239","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120857","13.8885","0.0007","19.6863","0.0009","17.3055","0.0008","90","","113.057","0.001","90","","4353.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1H-4,7-diphenyl-1,10-phenanthrolinium chloride dichlormethane solvate","","- C24.5 H18 Cl2 N2 -","- C24.5 H18 Cl2 N2 -","- C196 H144 Cl16 N16 -","8","2","","Kogularamanan Suntharalingam; Timothy C. Johnstone; Peter M. Bruno; Wei Lin; Michael T. Hemann; Stephen J. Lippard","Bidentate Ligands on Osmium(VI) Nitrido Complexes Control Intracellular Targeting and Cell Death Pathways","Journal of the American Chemical Society","2013","135","","14060","14063","10.1021/ja4075375","","","0.71073","MoKα","","0.0536","0.0463","","","0.1197","0.1241","","","","","","1.042","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120858","7.1097","0.0011","11.5996","0.0018","12.0357","0.0018","90","","90","","90","","992.6","0.3","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C10 H10 O5 -","- C10 H10 O5 -","- C40 H40 O20 -","4","1","","Shikha Sharma; Trideep Rajale; David B. Cordes; Fernando Hung-Low; David M. Birney","Experimental and Computational Studies on the [3,3]- and [3,5]-Sigmatropic Rearrangements of Acetoxycyclohexadienones: A Non-ionic Mechanism for Acyl Migration","Journal of the American Chemical Society","2013","135","","14438","14447","10.1021/ja4077364","","","0.71073","MoKα","","0.0507","0.0445","","","0.1014","0.1064","","","","","","1.086","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120859","9.887","0.004","7.603","0.003","23.19","0.008","90","","102.167","0.004","90","","1704.1","1.1","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","2","","Shikha Sharma; Trideep Rajale; David B. Cordes; Fernando Hung-Low; David M. Birney","Experimental and Computational Studies on the [3,3]- and [3,5]-Sigmatropic Rearrangements of Acetoxycyclohexadienones: A Non-ionic Mechanism for Acyl Migration","Journal of the American Chemical Society","2013","135","","14438","14447","10.1021/ja4077364","","","0.71073","MoKα","","0.0482","0.0367","","","0.082","0.0876","","","","","","1.032","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120860","8.5871","0.0008","11.4756","0.0011","11.688","0.0011","90","","108.794","0.001","90","","1090.35","0.18","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Shikha Sharma; Trideep Rajale; David B. Cordes; Fernando Hung-Low; David M. Birney","Experimental and Computational Studies on the [3,3]- and [3,5]-Sigmatropic Rearrangements of Acetoxycyclohexadienones: A Non-ionic Mechanism for Acyl Migration","Journal of the American Chemical Society","2013","135","","14438","14447","10.1021/ja4077364","","","0.71073","MoKα","","0.0411","0.0324","","","0.0808","0.0867","","","","","","1.053","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120861","13.5167","0.0006","13.788","0.0006","21.9025","0.0013","79.92","0.005","81.585","0.005","69.61","0.004","3751","0.3","100.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C54 H36 F2 -","- C54 H36 F2 -","- C216 H144 F8 -","4","2","","Youichi Sakamoto; Toshiyasu Suzuki","Tetrabenzo[8]circulene: Aromatic Saddles from Negatively Curved Graphene","Journal of the American Chemical Society","2013","135","","14074","14077","10.1021/ja407842z","","","0.7107","MoKα","","","0.0605","","","","0.1531","","","","","","0.927","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120862","17.0734","0.0006","17.0734","0.0006","10.7464","0.0004","90","","90","","90","","3132.59","0.19","100.1","","","","","","","","","","","2","I -4","I -4","82","","","","- C48 H24 -","- C48 H24 -","- C192 H96 -","4","0.5","","Youichi Sakamoto; Toshiyasu Suzuki","Tetrabenzo[8]circulene: Aromatic Saddles from Negatively Curved Graphene","Journal of the American Chemical Society","2013","135","","14074","14077","10.1021/ja407842z","","","0.7107","MoKα","","","0.0743","","","","0.0804","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120863","5.7421","0.0003","7.5441","0.0004","31.6321","0.0016","90","","90","","90","","1370.27","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N -","- C16 H18 Cl N -","- C64 H72 Cl4 N4 -","4","1","","Aaron D. Lackner; Andrew V. Samant; F. Dean Toste","Single-Operation Deracemization of 3H-Indolines and Tetrahydroquinolines Enabled by Phase Separation","Journal of the American Chemical Society","2013","135","","14090","14093","10.1021/ja4082827","","","1.54178","CuKα","","0.0325","0.0304","","","0.0737","0.0746","","","","","","1.121","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120864","10.142","0.002","11.748","0.002","15.056","0.003","90","","90","","90","","1793.9","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 B Cl2 O2 P -","- C16 H18 B Cl2 O2 P -","- C64 H72 B4 Cl8 O8 P4 -","4","1","","Qing-Qing Cheng; Shou-Fei Zhu; Yong-Zhen Zhang; Xiu-Lan Xie; Qi-Lin Zhou","Copper-Catalyzed B-H Bond Insertion Reaction: A Highly Efficient and Enantioselective C-B Bond-Forming Reaction with Amine-Borane and Phosphine-Borane Adducts","Journal of the American Chemical Society","2013","135","","14094","14097","10.1021/ja408306a","","","0.71073","MoKα","","0.0479","0.0368","","","0.0698","0.0753","","","","","","0.966","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120865","17.908","0.005","13.152","0.003","12.165","0.003","90","","90","","90","","2865.2","1.3","133","2","133","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C9.5 H9 Cl4 N4.5 O Pt -","- C9.5 H9 Cl4 N4.5 O Pt -","- C76 H72 Cl32 N36 O8 Pt8 -","8","1","","Oleg A. Mironov; Steven M. Bischof; Michael M. Konnick; Brian G. Hashiguchi; Vadim R. Ziatdinov; William A. Goddard; Mårten Ahlquist; Roy A. Periana","Using Reduced Catalysts for Oxidation Reactions: Mechanistic Studies of the ""Periana-Catalytica"" System for CH4 Oxidation","Journal of the American Chemical Society","2013","135","","14644","14658","10.1021/ja404895z","","","0.71073","MoKα","","0.0715","0.0444","","","0.1051","0.1138","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120866","8.9805","0.0013","23.393","0.003","7.7775","0.0011","90","","96.713","0.002","90","","1622.7","0.4","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Cl2 F3 N4 O2 Pt -","- C12 H11 Cl2 F3 N4 O2 Pt -","- C48 H44 Cl8 F12 N16 O8 Pt4 -","4","1","","Oleg A. Mironov; Steven M. Bischof; Michael M. Konnick; Brian G. Hashiguchi; Vadim R. Ziatdinov; William A. Goddard; Mårten Ahlquist; Roy A. Periana","Using Reduced Catalysts for Oxidation Reactions: Mechanistic Studies of the ""Periana-Catalytica"" System for CH4 Oxidation","Journal of the American Chemical Society","2013","135","","14644","14658","10.1021/ja404895z","","","0.71073","MoKα","","0.0547","0.0401","","","0.0947","0.1005","","","","","","1.027","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120867","18.599","0.003","30.652","0.004","9.5561","0.0013","90","","97.942","0.003","90","","5395.6","1.3","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","eiszh17","","","- C23 H29 Cl3 N4 Ni S3 -","- C23 H29 Cl3 N4 Ni S3 -","- C184 H232 Cl24 N32 Ni8 S24 -","8","2","","Zhiji Han; Luxi Shen; William W. Brennessel; Patrick L. Holland; Richard Eisenberg","Nickel Pyridinethiolate Complexes as Catalysts for the Light-Driven Production of Hydrogen from Aqueous Solutions in Noble-Metal-Free Systems","Journal of the American Chemical Society","2013","135","","14659","14669","10.1021/ja405257s","","","0.71073","MoKα","","0.1367","0.0623","","","0.1262","0.1551","","","","","","1.019","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120868","23.627","0.003","10.1407","0.0013","14.3387","0.0018","90","","108.013","0.002","90","","3267.1","0.7","100","0.1","100","0.1","","","","","","","","5","C 1 2 1","C 2y","5","eiszh13","","","- C30 H44 N6 Ni S3 -","- C30 H44 N6 Ni S3 -","- C120 H176 N24 Ni4 S12 -","4","1","","Zhiji Han; Luxi Shen; William W. Brennessel; Patrick L. Holland; Richard Eisenberg","Nickel Pyridinethiolate Complexes as Catalysts for the Light-Driven Production of Hydrogen from Aqueous Solutions in Noble-Metal-Free Systems","Journal of the American Chemical Society","2013","135","","14659","14669","10.1021/ja405257s","","","0.71073","MoKα","","0.094","0.0518","","","0.0873","0.1023","","","","","","0.949","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120869","8.4139","0.0013","11.1458","0.0017","15.787","0.003","106.605","0.003","95.703","0.003","95.721","0.003","1398.9","0.4","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","eiszh14","","","- C22 H26 N6 Ni O7 S4 -","- C22 H26 N6 Ni O7 S4 -","- C44 H52 N12 Ni2 O14 S8 -","2","1","","Zhiji Han; Luxi Shen; William W. Brennessel; Patrick L. Holland; Richard Eisenberg","Nickel Pyridinethiolate Complexes as Catalysts for the Light-Driven Production of Hydrogen from Aqueous Solutions in Noble-Metal-Free Systems","Journal of the American Chemical Society","2013","135","","14659","14669","10.1021/ja405257s","","","0.71073","MoKα","","0.1232","0.0533","","","0.1035","0.1293","","","","","","1.007","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120870","10.9855","0.0019","12.676","0.002","12.714","0.002","81.971","0.003","67.021","0.003","86.21","0.003","1613.9","0.5","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","eiszh12","","","- C28 H45 N7 Ni S3 -","- C28 H45 N7 Ni S3 -","- C56 H90 N14 Ni2 S6 -","2","1","","Zhiji Han; Luxi Shen; William W. Brennessel; Patrick L. Holland; Richard Eisenberg","Nickel Pyridinethiolate Complexes as Catalysts for the Light-Driven Production of Hydrogen from Aqueous Solutions in Noble-Metal-Free Systems","Journal of the American Chemical Society","2013","135","","14659","14669","10.1021/ja405257s","","","0.71073","MoKα","","0.0769","0.0411","","","0.0851","0.0971","","","","","","1.028","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120871","18.7067","0.0016","8.1827","0.0007","21.3806","0.0018","90","","115.925","0.001","90","","2943.4","0.4","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","eiszh21","","","- C24 H39 N7 Ni O S3 -","- C24 H39 N7 Ni O S3 -","- C96 H156 N28 Ni4 O4 S12 -","4","1","","Zhiji Han; Luxi Shen; William W. Brennessel; Patrick L. Holland; Richard Eisenberg","Nickel Pyridinethiolate Complexes as Catalysts for the Light-Driven Production of Hydrogen from Aqueous Solutions in Noble-Metal-Free Systems","Journal of the American Chemical Society","2013","135","","14659","14669","10.1021/ja405257s","","","0.71073","MoKα","","0.0854","0.0559","","","0.1415","0.1569","","","","","","1.042","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120872","7.221","0.0014","15.822","0.003","16.582","0.003","90","","98.718","0.004","90","","1872.6","0.6","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","eiszh26","","","- C20 H16 N4 Ni S2 -","- C20 H16 N4 Ni S2 -","- C80 H64 N16 Ni4 S8 -","4","1","","Zhiji Han; Luxi Shen; William W. Brennessel; Patrick L. Holland; Richard Eisenberg","Nickel Pyridinethiolate Complexes as Catalysts for the Light-Driven Production of Hydrogen from Aqueous Solutions in Noble-Metal-Free Systems","Journal of the American Chemical Society","2013","135","","14659","14669","10.1021/ja405257s","","","0.71073","MoKα","","0.0565","0.0417","","","0.1038","0.1105","","","","","","1.051","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120873","19.583","0.002","12.2262","0.0015","20.46","0.003","90","","90.045","0.002","90","","4898.6","1.1","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","eiszh25","","","- C23 H22 Cl2 N4 Ni S2 -","- C23 H22 Cl2 N4 Ni S2 -","- C184 H176 Cl16 N32 Ni8 S16 -","8","2","","Zhiji Han; Luxi Shen; William W. Brennessel; Patrick L. Holland; Richard Eisenberg","Nickel Pyridinethiolate Complexes as Catalysts for the Light-Driven Production of Hydrogen from Aqueous Solutions in Noble-Metal-Free Systems","Journal of the American Chemical Society","2013","135","","14659","14669","10.1021/ja405257s","","","0.71073","MoKα","","0.087","0.0461","","","0.0973","0.1136","","","","","","1.027","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120874","10.1427","0.0006","12.0618","0.0007","20.1728","0.0012","90","","91.792","0.001","90","","2466.7","0.3","100","0.5","100","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","eiszh19","","","- C23 H22 Cl2 N4 Ni O2 S2 -","- C23 H22 Cl2 N4 Ni O2 S2 -","- C92 H88 Cl8 N16 Ni4 O8 S8 -","4","1","","Zhiji Han; Luxi Shen; William W. Brennessel; Patrick L. Holland; Richard Eisenberg","Nickel Pyridinethiolate Complexes as Catalysts for the Light-Driven Production of Hydrogen from Aqueous Solutions in Noble-Metal-Free Systems","Journal of the American Chemical Society","2013","135","","14659","14669","10.1021/ja405257s","","","0.71073","MoKα","","0.1116","0.055","","","0.1209","0.145","","","","","","1.028","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120875","15.0667","0.0005","15.2398","0.0005","23.1361","0.0007","77.074","0.002","89.669","0.002","66.679","0.002","4734.4","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C87 H101 B Co2 F24 N6 O2 Si4 -","- C87 H101 B Co2 F23.97 N6 O2 Si4 -","- C174 H202 B2 Co4 F47.94 N12 O4 Si8 -","2","1","","Skye Fortier; Jennifer J. Le Roy; Chun-Hsing Chen; Veacheslav Vieru; Muralee Murugesu; Liviu F. Chibotaru; Daniel J. Mindiola; Kenneth G. Caulton","A Dinuclear Cobalt Complex Featuring Unprecedented Anodic and Cathodic Redox Switches for Single-Molecule Magnet Activity","Journal of the American Chemical Society","2013","135","","14670","14678","10.1021/ja405284t","","","0.71073","MoKα","","0.0738","0.0465","","","0.1163","0.1341","","","","","","0.888","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120876","9.8742","0.0011","15.5304","0.0017","16.387","0.003","93.643","0.011","99.206","0.011","105.959","0.008","2369.6","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H58 N2 O4 -","- C64 H58 N2 O4 -","- C128 H116 N4 O8 -","2","1","","Samuel W. Eaton; Leah E. Shoer; Steven D. Karlen; Scott M. Dyar; Eric A. Margulies; Brad S. Veldkamp; Charusheela Ramanan; Daniel A. Hartzler; Sergei Savikhin; Tobin J. Marks; Michael R. Wasielewski","Singlet Exciton Fission in Polycrystalline Thin Films of a Slip-Stacked Perylenediimide","Journal of the American Chemical Society","2013","135","","14701","14712","10.1021/ja4053174","","","1.54178","CuKα","","0.2272","0.104","","","0.2514","0.3114","","","","","","1.275","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120877","17.902","0.004","17.913","0.005","22.664","0.005","90","","128.361","0.005","90","","5699","2","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H73 B N8 O4 Zn -","- C62 H73 B N8 O4 Zn -","- C248 H292 B4 N32 O16 Zn4 -","4","1","","Martin L. Kirk; David A. Shultz; Daniel E. Stasiw; Diana Habel-Rodriguez; Benjamin Stein; Paul D. Boyle","Electronic and Exchange Coupling in a Cross-Conjugated D-B-A Biradical: Mechanistic Implications for Quantum Interference Effects","Journal of the American Chemical Society","2013","135","","14713","14725","10.1021/ja405354x","","","0.71073","MoKα","","0.0947","0.0455","","","0.1068","0.1261","","","","","","1.024","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120878","15.338","0.003","18.091","0.003","24.184","0.004","90","","95.05","0.003","90","","6685","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H112 N2 O P4 Ti2 -","- C66 H112 N2 O P4 Ti2 -","- C264 H448 N8 O4 P16 Ti8 -","4","0.5","","Marco G. Crestani; Anne K. Hickey; Xinfeng Gao; Balazs Pinter; Vincent N. Cavaliere; Jun-Ichi Ito; Chun-Hsing Chen; Daniel J. Mindiola","Room Temperature Dehydrogenation of Ethane, Propane, Linear Alkanes C4-C8, and Some Cyclic Alkanes by Titanium-Carbon Multiple Bonds","Journal of the American Chemical Society","2013","135","","14754","14767","10.1021/ja4060178","","","0.71073","MoKα","","0.158","0.0516","","","0.0942","0.1167","","","","","","0.799","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4120879","19.255","0.003","14.983","0.002","23.719","0.004","90","","102.933","0.003","90","","6669.3","1.8","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H102 N6 P2 Sc2 -","- C66 H102 N6 P2 Sc2 -","- C264 H408 N24 P8 Sc8 -","4","1","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.1037","0.0597","","","0.17","0.2216","","","","","","0.885","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120880","11.969","0.0011","17.3337","0.0016","19.3786","0.0018","106.071","0.002","95.87","0.002","94.259","0.002","3820.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H118 N7 P2 Sc2 -","- C74 H118 N7 P2 Sc2 -","- C148 H236 N14 P4 Sc4 -","2","1","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.0896","0.0536","","","0.1489","0.1774","","","","","","1.03","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120881","17.7351","0.0019","14.0886","0.0015","19.026","0.002","90","","102.052","0.002","90","","4649.1","0.9","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H136 N8 P2 Sc2 -","- C90 H136 N8 P2 Sc2 -","- C180 H272 N16 P4 Sc4 -","2","0.5","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.0754","0.0523","","","0.1535","0.1688","","","","","","1.011","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120882","14.1879","0.0003","14.7284","0.0004","22.4285","0.0006","81.395","0.002","87.892","0.002","64.819","0.002","4191.7","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H116 N6 O2 P2 Sc2 -","- C74 H116 N6 O2 P2 Sc2 -","- C148 H232 N12 O4 P4 Sc4 -","2","1","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","1.54178","CuKα","","0.0622","0.0529","","","0.1509","0.1596","","","","","","1.044","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120883","14.245","0.002","23.168","0.003","26.529","0.004","90","","103.391","0.002","90","","8517","2","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H102 Mo N6 O6 P2 Sc2 -","- C72 H102 Mo N6 O6 P2 Sc2 -","- C288 H408 Mo4 N24 O24 P8 Sc8 -","4","1","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.0922","0.0652","","","0.1738","0.191","","","","","","0.972","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120884","11.507","0.003","11.878","0.003","15.446","0.003","104.61","0.004","91.334","0.004","102.38","0.004","1988.7","0.8","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H122 N10 P2 Sc2 -","- C80 H122 N10 P2 Sc2 -","- C80 H122 N10 P2 Sc2 -","1","0.5","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.1281","0.0657","","","0.156","0.1951","","","","","","0.977","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120885","15.031","0.005","20.656","0.006","22.621","0.007","101.607","0.005","101.371","0.005","109.849","0.005","6197","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H68 N5 P2 Sc -","- C51 H68 N5 P2 Sc -","- C204 H272 N20 P8 Sc4 -","4","2","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.1749","0.0879","","","0.1841","0.2024","","","","","","1.018","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120886","13.7662","0.0016","18.35","0.002","18.655","0.002","95.579","0.002","111.436","0.002","103.964","0.002","4166.2","0.8","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H58 N7 Sc -","- C45 H58 N7 Sc -","- C180 H232 N28 Sc4 -","4","2","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.0994","0.0539","","","0.1379","0.1655","","","","","","1.011","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120887","13.9321","0.0012","32.923","0.003","18.1113","0.0015","90","","99.026","0.002","90","","8204.5","1.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H130 N6 P2 Sc2 Se -","- C78 H130 N6 P2 Sc2 Se -","- C312 H520 N24 P8 Sc8 Se4 -","4","1","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.0899","0.0628","","","0.1575","0.1719","","","","","","1.085","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120888","22.915","0.003","18.525","0.002","19.32","0.002","90","","90.494","0.002","90","","8201","1.6","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H102 N6 P2 Sc2 Te -","- C66 H102 N6 P2 Sc2 Te -","- C264 H408 N24 P8 Sc8 Te4 -","4","1","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.1093","0.049","","","0.0916","0.1024","","","","","","0.949","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120889","12.6975","0.0016","14.2153","0.0018","20.854","0.003","78.473","0.002","86.763","0.002","82.12","0.002","3651.7","0.8","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H116 N6 P2 S Sc2 -","- C72 H116 N6 P2 S Sc2 -","- C144 H232 N12 P4 S2 Sc4 -","2","1","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.0896","0.0506","","","0.1358","0.1642","","","","","","0.964","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120890","11.9782","0.001","13.6314","0.0011","26.828","0.002","84.694","0.002","87.466","0.002","70.1","0.002","4100.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H122 N6 P2 Sc2 -","- C86 H122 N6 P2 Sc2 -","- C172 H244 N12 P4 Sc4 -","2","1","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.0962","0.0566","","","0.1418","0.1636","","","","","","1.026","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120891","11.0804","0.0014","13.5919","0.0017","15.3304","0.0019","94.394","0.002","103.628","0.002","111.838","0.002","2048","0.4","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H118 N8 P2 Sc2 -","- C86 H118 N8 P2 Sc2 -","- C86 H118 N8 P2 Sc2 -","1","0.5","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.0642","0.0407","","","0.0976","0.1094","","","","","","1.007","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120892","6.577","0.0002","13.6444","0.0005","8.0893","0.0003","90","","91.519","0.003","90","","725.67","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H38 N2 O4 -","- C36 H38 N2 O4 -","- C36 H38 N2 O4 -","1","0.5","","Changming Qin; Huw M. L. Davies","Rh2(R-TPCP)4- Catalyzed Enantioselective [3+2]-Cycloaddition between Nitrones and Vinyldiazoacetates","Journal of the American Chemical Society","2013","135","","14516","14519","10.1021/ja4069003","","","1.54178","CuKα","","0.0237","0.0234","","","0.0596","0.0599","","","","","","1.078","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120893","8.4539","0.0001","10.1172","0.0001","17.3198","0.0002","90","","90","","90","","1481.36","0.03","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O -","- C17 H16 Cl N O -","- C68 H64 Cl4 N4 O4 -","4","1","","Arvind Jaganathan; Richard J. Staples; Babak Borhan","Kinetic Resolution of Unsaturated Amides in a Chlorocyclization Reaction: Concomitant Enantiomer Differentiation and Face Selective Alkene Chlorination by a Single Catalyst","Journal of the American Chemical Society","2013","135","","14806","14813","10.1021/ja407241d","","x-ray","1.54178","CuKα","","0.0259","0.0256","","","0.0641","0.0643","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120894","5.0927","0.0002","10.4944","0.0003","26.6942","0.0008","90","","90","","90","","1426.67","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O -","- C17 H16 Cl N O -","- C68 H64 Cl4 N4 O4 -","4","1","","Arvind Jaganathan; Richard J. Staples; Babak Borhan","Kinetic Resolution of Unsaturated Amides in a Chlorocyclization Reaction: Concomitant Enantiomer Differentiation and Face Selective Alkene Chlorination by a Single Catalyst","Journal of the American Chemical Society","2013","135","","14806","14813","10.1021/ja407241d","","x-ray","1.54178","CuKα","","0.0379","0.0331","","","0.0728","0.075","","","","","","0.994","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120895","7.643","0.001","23.561","0.005","10.414","0.003","90","","102.9","0.01","90","","1828","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 Fe N7 O -","- C17 H25 Fe N7 O -","- C68 H100 Fe4 N28 O4 -","4","1","","Rodica Ababei; Céline Pichon; Olivier Roubeau; Yang-Guang Li; Nicolas Bréfuel; Lionel Buisson; Philippe Guionneau; Corine Mathonière; Rodolphe Clérac","Rational Design of a Photomagnetic Chain: Bridging Single-Molecule Magnets with a Spin-Crossover Complex","Journal of the American Chemical Society","2013","135","","14840","14853","10.1021/ja407570n","","","0.71073","MoKα","","0.1734","0.0716","","","0.1123","0.1413","","","","","","1.02","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120896","15.187","0.003","30.083","0.006","14.054","0.003","90","","99.04","0.03","90","","6341","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57.5 H69 Cl2 Fe Mn2 N11 O12.5 -","- C57.5 H67 Cl2 Fe Mn2 N11 O12.5 -","- C230 H268 Cl8 Fe4 Mn8 N44 O50 -","4","1","","Rodica Ababei; Céline Pichon; Olivier Roubeau; Yang-Guang Li; Nicolas Bréfuel; Lionel Buisson; Philippe Guionneau; Corine Mathonière; Rodolphe Clérac","Rational Design of a Photomagnetic Chain: Bridging Single-Molecule Magnets with a Spin-Crossover Complex","Journal of the American Chemical Society","2013","135","","14840","14853","10.1021/ja407570n","","","0.71073","MoKα","","0.0791","0.0611","","","0.1717","0.187","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120897","12.73","0.003","14.287","0.003","18.947","0.004","87.39","0.03","76.45","0.03","65.67","0.03","3047.5","1.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H73 Cl2 Fe Mn2 N11 O13 -","- C59 H72 Cl2 Fe Mn2 N11 O13 -","- C118 H144 Cl4 Fe2 Mn4 N22 O26 -","2","1","","Rodica Ababei; Céline Pichon; Olivier Roubeau; Yang-Guang Li; Nicolas Bréfuel; Lionel Buisson; Philippe Guionneau; Corine Mathonière; Rodolphe Clérac","Rational Design of a Photomagnetic Chain: Bridging Single-Molecule Magnets with a Spin-Crossover Complex","Journal of the American Chemical Society","2013","135","","14840","14853","10.1021/ja407570n","","","0.71073","MoKα","","0.0734","0.044","","","0.1068","0.123","","","","","","1.037","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120898","10.809","0.001","23.098","0.001","15.5077","0.0009","90","","94.39","0.01","90","","3860.4","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C136 H184 Fe8 N56 O9 -","- C136 H184 Fe8 N56 O9 -","- C136 H184 Fe8 N56 O9 -","1","0.25","","Rodica Ababei; Céline Pichon; Olivier Roubeau; Yang-Guang Li; Nicolas Bréfuel; Lionel Buisson; Philippe Guionneau; Corine Mathonière; Rodolphe Clérac","Rational Design of a Photomagnetic Chain: Bridging Single-Molecule Magnets with a Spin-Crossover Complex","Journal of the American Chemical Society","2013","135","","14840","14853","10.1021/ja407570n","","","0.71073","MoKα","","0.1063","0.0701","","","0.183","0.2096","","","","","","1.033","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120899","12.2489","0.0001","13.023","0.0001","13.1871","0.0001","70.19","","72.89","","63.27","","1742.25","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 F5 N2 P -","- C44 H28 F5 N2 P -","- C88 H56 F10 N4 P2 -","2","1","","Flavio S. P. Cardoso; Khalil A. Abboud; Aaron Aponick","Design, Preparation, and Implementation of an Imidazole-Based Chiral Biaryl P,N-Ligand for Asymmetric Catalysis","Journal of the American Chemical Society","2013","135","","14548","14551","10.1021/ja407689a","","","1.54178","CuKα","","0.0308","0.0289","","","0.0769","0.0782","","","","","","1.057","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120900","14.2312","0.0015","12.8462","0.0014","14.9347","0.0016","90","","112.251","0.002","90","","2527","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H44 F11 N3 P2 Pd -","- C58 H44 F11 N3 P2 Pd -","- C116 H88 F22 N6 P4 Pd2 -","2","1","","Flavio S. P. Cardoso; Khalil A. Abboud; Aaron Aponick","Design, Preparation, and Implementation of an Imidazole-Based Chiral Biaryl P,N-Ligand for Asymmetric Catalysis","Journal of the American Chemical Society","2013","135","","14548","14551","10.1021/ja407689a","","","0.71073","MoKα","","0.0243","0.0218","","","0.0521","0.0527","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120901","11.308","0.011","14.627","0.014","18.67","0.018","90","","90","","90","","3088","5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 F6 Fe N4 O8 S2 -","- C24 H30 F6 Fe N4 O8 S2 -","- C96 H120 F24 Fe4 N16 O32 S8 -","4","1","","Olaf Cussó; Isaac Garcia-Bosch; Xavi Ribas; Julio Lloret-Fillol; Miquel Costas","Asymmetric Epoxidation with H2O2 by Manipulating the Electronic Properties of Non-heme Iron Catalysts","Journal of the American Chemical Society","2013","135","","14871","14878","10.1021/ja4078446","","","0.71073","MoKα","","0.0288","0.0267","","","0.0638","0.065","","","","","","1.06","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120902","17.9","0.013","12.76","0.009","14.882","0.011","90","","102.724","0.009","90","","3316","4","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H42 N6 O2 -","- C36 H42 N6 O2 -","- C144 H168 N24 O8 -","4","0.5","","Dong Sub Kim; Vincent M. Lynch; Jung Su Park; Jonathan L. Sessler","Three Distinct Equilibrium States via Self-Assembly: Simple Access to a Supramolecular Ion-Controlled NAND Logic Gate","Journal of the American Chemical Society","2013","135","","14889","14894","10.1021/ja4080198","","","0.71075","MoKα","","0.0927","0.056","","","0.1304","0.1541","","","","","","1.067","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120903","18.262","0.005","28.491","0.007","18.268","0.005","90","","92.079","0.004","90","","9499","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C167 H149 Cl15 I2 N14 O2 S32 -","- C167 H147 Cl15 I2 N14 O2 S32 -","- C334 H294 Cl30 I4 N28 O4 S64 -","2","0.5","","Dong Sub Kim; Vincent M. Lynch; Jung Su Park; Jonathan L. Sessler","Three Distinct Equilibrium States via Self-Assembly: Simple Access to a Supramolecular Ion-Controlled NAND Logic Gate","Journal of the American Chemical Society","2013","135","","14889","14894","10.1021/ja4080198","","","0.71075","MoKα","","0.1301","0.1149","","","0.2792","0.2889","","","","","","1.505","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120904","25.136","0.011","22.46","0.009","25.993","0.011","90","","93.64","0.04","90","","14645","11","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C69 H66 Cl3 N5 S16 -","- C68.5 H64.5 Cl2 N5 S16 -","- C548 H516 Cl16 N40 S128 -","8","1","","Dong Sub Kim; Vincent M. Lynch; Jung Su Park; Jonathan L. Sessler","Three Distinct Equilibrium States via Self-Assembly: Simple Access to a Supramolecular Ion-Controlled NAND Logic Gate","Journal of the American Chemical Society","2013","135","","14889","14894","10.1021/ja4080198","","","0.71073","MoKα","","0.2004","0.1156","","","0.2111","0.2405","","","","","","1.204","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120905","16.634","0.003","17.06","0.004","17.591","0.004","85.805","0.012","69.782","0.011","65.015","0.01","4230.4","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H68 Cl5 N4 P S16 -","- C85 H64 Cl3 N4 P S16 -","- C170 H128 Cl6 N8 P2 S32 -","2","1","","Dong Sub Kim; Vincent M. Lynch; Jung Su Park; Jonathan L. Sessler","Three Distinct Equilibrium States via Self-Assembly: Simple Access to a Supramolecular Ion-Controlled NAND Logic Gate","Journal of the American Chemical Society","2013","135","","14889","14894","10.1021/ja4080198","","","0.71075","MoKα","","0.0516","0.0424","","","0.1133","0.1178","","","","","","1.059","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120906","9.785","0.003","9.651","0.003","14.06","0.004","90","","101.86","0.006","90","","1299.4","0.7","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H27 Br N2 O2 -","- C30 H27 Br N2 O2 -","- C60 H54 Br2 N4 O4 -","2","1","","Lizhu Gao; Byung Chul Kang; Do Hyun Ryu","Catalytic Asymmetric Insertion of Diazoesters into Aryl-CHO Bonds: Highly Enantioselective Construction of Chiral All-Carbon Quaternary Centers","Journal of the American Chemical Society","2013","135","","14556","14559","10.1021/ja408196g","","","0.71073","MoKα","","0.1988","0.0519","","","0.09","0.143","","","","","","0.705","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120907","11.801","0.006","14.19","0.01","16.457","0.009","75.294","0.009","75.221","0.006","66.078","0.006","2400","2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Thiophene-bridged Gyrotop","","","- C46 H86 S Si2 -","- C46 H86 S Si2 -","- C92 H172 S2 Si4 -","2","1","","Wataru Setaka; Kentaro Yamaguchi","Order-Disorder Transition of Dipolar Rotor in a Crystalline Molecular Gyrotop and Its Optical Change","Journal of the American Chemical Society","2013","135","","14560","14563","10.1021/ja408405f","","","0.71073","MoKα","","0.1541","0.0742","","","0.1928","0.24","","","","","","0.969","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120908","25.546","0.009","12.446","0.005","18.039","0.007","90","","122.538","0.004","90","","4835","3","270","2","270","2","","","","","","","","4","C 1 c 1","C -2yc","9","Thiophene-bridged Gyrotop","","","- C46 H86 S Si2 -","- C46 H86 S Si2 -","- C184 H344 S4 Si8 -","4","1","","Wataru Setaka; Kentaro Yamaguchi","Order-Disorder Transition of Dipolar Rotor in a Crystalline Molecular Gyrotop and Its Optical Change","Journal of the American Chemical Society","2013","135","","14560","14563","10.1021/ja408405f","","","0.71073","MoKα","","0.3347","0.1187","","","0.2792","0.428","","","","","","0.928","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120909","25.594","0.014","11.812","0.006","19.201","0.01","90","","121.519","0.006","90","","4948","5","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Thiophene-bridged Gyrotop","","","- C46 H86 S Si2 -","- C46 H86 S Si2 -","- C184 H344 S4 Si8 -","4","0.5","","Wataru Setaka; Kentaro Yamaguchi","Order-Disorder Transition of Dipolar Rotor in a Crystalline Molecular Gyrotop and Its Optical Change","Journal of the American Chemical Society","2013","135","","14560","14563","10.1021/ja408405f","","","0.71073","MoKα","","0.3349","0.1485","","","0.4461","0.5527","","","","","","1.075","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120910","18.4571","0.0012","9.9004","0.0006","10.548","0.0007","90","","101.24","0.004","90","","1890.5","0.2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17.8 H20.83 I1.03 N2 O Pd -","- C17.7954 H20.8295 I1.0341 N2 O Pd -","- C71.1816 H83.318 I4.1364 N8 O4 Pd4 -","4","1","","Jeffrey C. Holder; Lufeng Zou; Alexander N. Marziale; Peng Liu; Yu Lan; Michele Gatti; Kotaro Kikushima; K. N. Houk; Brian M. Stoltz","Mechanism and Enantioselectivity in Palladium-Catalyzed Conjugate Addition of Arylboronic Acids to β-Substituted Cyclic Enones: Insights from Computation and Experiment","Journal of the American Chemical Society","2013","135","","14996","15007","10.1021/ja401713g","","","0.71073","MoKα","","0.0269","0.0226","","","0.0403","0.0414","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120911","13.9838","0.0013","15.2795","0.0014","19.4786","0.0017","91.293","0.001","105.887","0.001","105.342","0.001","3840","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Co7(OH)6(L)6(OTf)3_Co7(OH)6(L)6(OTf)2","","","- C123 H147 Co14 F15 N17 O51 S5 -","- C123 H147 Co14 F15 N17 O51 S5 -","- C123 H147 Co14 F15 N17 O51 S5 -","1","0.5","","Andrew M. Ullman; Daniel G. Nocera","Mechanism of Cobalt Self-Exchange Electron Transfer","Journal of the American Chemical Society","2013","135","","15053","15061","10.1021/ja404469y","","","0.71073","MoKα","","0.0681","0.0408","","","0.0911","0.1069","","","","","","1.036","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120912","18.2684","0.0005","18.8013","0.0009","20.9446","0.0011","108.586","0.004","105.134","0.004","108.819","0.003","5899.4","0.6","143.05","0.1","143.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C88 H88 F12 N30 O32 S5 -","- C88 H88 F12 N30 O32 S5 -","- C176 H176 F24 N60 O64 S10 -","2","1","","Hongjun Zhou; Yinsong, Zhao; Ge Gao; Shiqing Li; Jingbo Lan; Jingsong You","Highly Selective Fluorescent Recognition of Sulfate in Water by Two Rigid Tetrakisimidazolium Macrocycles with Peripheral Chains","Journal of the American Chemical Society","2013","135","","14908","14911","10.1021/ja406638b","","","0.7107","MoKα","","0.158","0.1177","","","0.3304","0.3591","","","","","","1.123","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120913","8.6726","0.0006","12.8597","0.0008","19.4545","0.0012","90","","92.648","0.004","90","","2167.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","hya4","","","- C21 H20 Cl Fe N5 O2 -","- C21 H20 Cl Fe N5 O2 -","- C84 H80 Cl4 Fe4 N20 O8 -","4","1","","Ho Yu Au-Yeung; Jefferson Chan; Teera Chantarojsiri; Christopher J. Chang","Molecular Imaging of Labile Iron(II) Pools in Living Cells with a Turn-On Fluorescent Probe","Journal of the American Chemical Society","2013","135","","15165","15173","10.1021/ja4072964","","","0.71073","MoKα","","0.1044","0.0715","","","0.1842","0.2031","","","","","","1.033","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120914","10.8076","0.0013","14.3904","0.0017","17.7688","0.0015","87.935","0.002","88.731","0.003","68.774","0.002","2574.2","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H27 Al F36 N O4 -","- C43 H27 Al F36 N O4 -","- C86 H54 Al2 F72 N2 O8 -","2","1","","Xin Zheng; Xingyong Wang; Yunfan Qiu; Yuantao Li; Chenkun Zhou; Yunxia Sui; Yizhi Li; Jing Ma; Xinping Wang","One-Electron Oxidation of an Organic Molecule by B(C6F5)3; Isolation and Structures of Stable Non-para-substituted Triarylamine Cation Radical and Bis(triarylamine) Dication Diradicaloid","Journal of the American Chemical Society","2013","135","","14912","14915","10.1021/ja407318h","","","0.71073","MoKα","","0.0671","0.0559","","","0.1391","0.1425","","","","","","1.036","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120915","14.0371","0.001","17.1155","0.0017","21.2159","0.0015","90","","107.474","0.003","90","","4861.9","0.7","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H26 Al F36 N O4 -","- C43 H26 Al F36 N O4 -","- C172 H104 Al4 F144 N4 O16 -","4","1","","Xin Zheng; Xingyong Wang; Yunfan Qiu; Yuantao Li; Chenkun Zhou; Yunxia Sui; Yizhi Li; Jing Ma; Xinping Wang","One-Electron Oxidation of an Organic Molecule by B(C6F5)3; Isolation and Structures of Stable Non-para-substituted Triarylamine Cation Radical and Bis(triarylamine) Dication Diradicaloid","Journal of the American Chemical Society","2013","135","","14912","14915","10.1021/ja407318h","","","0.71073","MoKα","","0.0764","0.0593","","","0.1466","0.1493","","","","","","1.095","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120916","10.5916","0.0006","16.233","0.0008","18.2994","0.0014","90","","90","","90","","3146.3","0.3","100","2","99.99","","","","","","","","","6","P m m m","-P 2 2","47","","","","- C54 H30 Br2 N2 O8 Zn2 -","- C54 H30 Br2 N2 O8 Zn2 -","- C54 H30 Br2 N2 O8 Zn2 -","1","0.125","","Nicolaas A. Vermeulen; Olga Karagiaridi; Amy A. Sarjeant; Charlotte L. Stern; Joseph T. Hupp; Omar K. Farha; J. Fraser Stoddart","Aromatizing Olefin Metathesis by Ligand Isolation inside a Metal- Organic Framework","Journal of the American Chemical Society","2013","135","","14916","14919","10.1021/ja407333q","","","1.54178","CuKα","","0.1448","0.1145","","","0.3156","0.3484","","","","","","1.301","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120917","10.2939","0.0011","16.4035","0.0015","18.242","0.003","90","","90","","90","","3080.3","0.7","100","2","99.99","","","","","","","","","6","P m m m","-P 2 2","47","","","","- C58 H36 Br2 N2 O8 Zn2 -","- C58 H38 Br2 N2 O8 Zn2 -","- C58 H38 Br2 N2 O8 Zn2 -","1","0.125","","Nicolaas A. Vermeulen; Olga Karagiaridi; Amy A. Sarjeant; Charlotte L. Stern; Joseph T. Hupp; Omar K. Farha; J. Fraser Stoddart","Aromatizing Olefin Metathesis by Ligand Isolation inside a Metal- Organic Framework","Journal of the American Chemical Society","2013","135","","14916","14919","10.1021/ja407333q","","","1.54178","CuKα","","0.1609","0.1189","","","0.3123","0.3484","","","","","","1.141","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120918","15.3827","0.0004","12.0666","0.0003","17.7872","0.0005","90","","107.919","0.002","90","","3141.45","0.15","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C152 H112 N16 O16 -","8","2","","Dominik S. Allgäuer; Peter Mayer; Herbert Mayr","Nucleophilicity Parameters of Pyridinium Ylides and Their Use in Mechanistic Analyses","Journal of the American Chemical Society","2013","135","","15216","15224","10.1021/ja407885h","","","0.71073","MoKα","","0.0863","0.0486","","","0.1118","0.1343","","","","","","1.012","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120919","10.908","0.0002","18.0229","0.0003","30.272","0.0005","90","","98.2496","0.0009","90","","5889.71","0.18","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H33 B Cl F4 N3 O -","- C30.5 H33 B Cl F4 N3 O -","- C244 H264 B8 Cl8 F32 N24 O8 -","8","2","","Dominik S. Allgäuer; Peter Mayer; Herbert Mayr","Nucleophilicity Parameters of Pyridinium Ylides and Their Use in Mechanistic Analyses","Journal of the American Chemical Society","2013","135","","15216","15224","10.1021/ja407885h","","","0.71073","MoKα","","0.1601","0.0897","","","0.2581","0.3056","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120920","9.3341","0.0004","18.7764","0.0008","10.4687","0.0004","90","","107.04","0.001","90","","1754.21","0.13","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H25 B F15 N Si2 Zr -","- C32 H25 B F15 N Si2 Zr -","- C64 H50 B2 F30 N2 Si4 Zr2 -","2","1","","KaKing Yan; Juan J. Duchimaza Heredia; Arkady Ellern; Mark S. Gordon; Aaron D. Sadow","Lewis Base Mediated β-Elimination and Lewis Acid Mediated Insertion Reactions of Disilazido Zirconium Compounds","Journal of the American Chemical Society","2013","135","","15225","15237","10.1021/ja407950e","","","0.71073","MoKα","","0.0352","0.032","","","0.0827","0.0847","","","","","","1.034","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120921","11.677","0.003","12.731","0.003","15.822","0.004","103.64","0.004","108.155","0.004","99.126","0.004","2102.2","0.9","173","2","173","2","","","","","","","","10","P -1","-P 1","2","Sad183","","","- C36 H26.5 B Br0.5 F18 N O3 S Si2 Zr -","- C36 H26 B Br0.5 F18 N O3 S Si2 Zr -","- C72 H52 B2 Br F36 N2 O6 S2 Si4 Zr2 -","2","1","","KaKing Yan; Juan J. Duchimaza Heredia; Arkady Ellern; Mark S. Gordon; Aaron D. Sadow","Lewis Base Mediated β-Elimination and Lewis Acid Mediated Insertion Reactions of Disilazido Zirconium Compounds","Journal of the American Chemical Society","2013","135","","15225","15237","10.1021/ja407950e","","","0.71073","MoKα","","0.0718","0.0435","","","0.1003","0.1175","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120922","9.3458","0.0012","15.4989","0.0019","14.4616","0.0018","90","","96.44","0.002","90","","2081.5","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 N O Si2 Zr -","- C17 H31 N O Si2 Zr -","- C68 H124 N4 O4 Si8 Zr4 -","4","1","","KaKing Yan; Juan J. Duchimaza Heredia; Arkady Ellern; Mark S. Gordon; Aaron D. Sadow","Lewis Base Mediated β-Elimination and Lewis Acid Mediated Insertion Reactions of Disilazido Zirconium Compounds","Journal of the American Chemical Society","2013","135","","15225","15237","10.1021/ja407950e","","","0.71073","MoKα","","0.0644","0.0373","","","0.0748","0.0857","","","","","","1.008","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120923","12.946","0.002","14.753","0.002","23.912","0.004","90","","103.293","0.004","90","","4444.6","1.2","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C39 H39 B Cl2 F15 N O2 Si2 Zr -","- C39 H39 B Cl2 F15 N O2 Si2 Zr -","- C156 H156 B4 Cl8 F60 N4 O8 Si8 Zr4 -","4","1","","KaKing Yan; Juan J. Duchimaza Heredia; Arkady Ellern; Mark S. Gordon; Aaron D. Sadow","Lewis Base Mediated β-Elimination and Lewis Acid Mediated Insertion Reactions of Disilazido Zirconium Compounds","Journal of the American Chemical Society","2013","135","","15225","15237","10.1021/ja407950e","","","0.71073","MoKα","","0.0986","0.051","","","0.1071","0.1297","","","","","","0.996","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120924","11.986","0.006","12.7","0.006","14.465","0.008","90","","106.304","0.01","90","","2113.3","1.9","200","2","200","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C28 H62 F12 N10 Ni2 P2 Se2 -","- C28 H62 F12 N10 Ni2 P2 Se2 -","- C56 H124 F24 N20 Ni4 P4 Se4 -","2","0.25","","Jessica Wallick; Charles G. Riordan; Glenn P. A. Yap","C-H Activation by a Diselenido Dinickel(II) Complex","Journal of the American Chemical Society","2013","135","","14972","14974","10.1021/ja407995r","","","0.71073","MoKα","","0.0375","0.0367","","","0.0944","0.0949","","","","","","1.131","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120925","13.701","0.003","9.683","0.002","14.533","0.003","90","","90","","90","","1928","0.7","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C12 H29 F6 N4 Ni P Se -","- C12 H29 F6 N4 Ni P Se -","- C48 H116 F24 N16 Ni4 P4 Se4 -","4","0.5","","Jessica Wallick; Charles G. Riordan; Glenn P. A. Yap","C-H Activation by a Diselenido Dinickel(II) Complex","Journal of the American Chemical Society","2013","135","","14972","14974","10.1021/ja407995r","","","0.71073","MoKα","","0.0419","0.0315","","","0.0691","0.0741","","","","","","1.028","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120926","16.336","0.0002","17.1738","0.0002","20.1389","0.0002","67.123","0.001","77.886","0.001","77.704","0.001","5035.23","0.11","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","Badjic 1959","","","- C108 H86 Cl4 N12 O27 -","- C108 H84 Cl4 N12 O27 -","- C216 H168 Cl8 N24 O54 -","2","1","","Shigui Chen; Yian Ruan; Jason D. Brown; Judith Gallucci; Veselin Maslak; Christopher M. Hadad; Jovica D. Badjić","Assembly of Amphiphilic Baskets into Stimuli-Responsive Vesicles. Developing a Strategy for the Detection of Organophosphorus Chemical Nerve Agents","Journal of the American Chemical Society","2013","135","","14964","14967","10.1021/ja408585j","","x-ray","0.71073","MoKα","","0.1036","0.0705","","","0.1889","0.2124","","","","","","1.044","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120927","24.697","0.004","15.318","0.002","26.215","0.004","90","","117.213","0.002","90","","8820","2","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H56 Au Cl3 F6 N5 Sb -","- C38.5 H56 Au Cl3 F6 N5 Sb -","- C308 H448 Au8 Cl24 F48 N40 Sb8 -","8","2","","Chandrakanta Dash; Muhammed Yousufuddin; Thomas R. Cundari; H. V. Rasika Dias","Gold-Mediated Expulsion of Dinitrogen from Organic Azides","Journal of the American Chemical Society","2013","135","","15479","15488","10.1021/ja406027x","","","0.71073","MoKα","","0.0807","0.0595","","","0.1345","0.1436","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120928","16.861","0.002","12.0404","0.0014","21.422","0.003","90","","105.626","0.002","90","","4188.2","0.9","100","2","100.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34.5 H52 Au Cl3 F6 N5 Sb -","- C34.5 H52 Au Cl3 F6 N5 Sb -","- C138 H208 Au4 Cl12 F24 N20 Sb4 -","4","2","","Chandrakanta Dash; Muhammed Yousufuddin; Thomas R. Cundari; H. V. Rasika Dias","Gold-Mediated Expulsion of Dinitrogen from Organic Azides","Journal of the American Chemical Society","2013","135","","15479","15488","10.1021/ja406027x","","","0.71073","MoKα","","0.0607","0.0545","","","0.1333","0.1381","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120929","12.5133","0.0012","12.5133","0.0012","47.953","0.005","90","","90","","90","","7508.6","1.3","100","2","100.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C37 H53 Au F6 N3 Sb -","- C37 H53 Au F6 N3 Sb -","- C296 H424 Au8 F48 N24 Sb8 -","8","1","","Chandrakanta Dash; Muhammed Yousufuddin; Thomas R. Cundari; H. V. Rasika Dias","Gold-Mediated Expulsion of Dinitrogen from Organic Azides","Journal of the American Chemical Society","2013","135","","15479","15488","10.1021/ja406027x","","","0.71073","MoKα","","0.0586","0.0427","","","0.0824","0.0879","","","","","","1.025","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120930","22.316","0.002","11.1178","0.0011","18.4682","0.0018","90","","121.874","0.001","90","","3891.1","0.6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H51 Au Cl2 F6 N3 Sb -","- C34 H51 Au Cl2 F6 N3 Sb -","- C136 H204 Au4 Cl8 F24 N12 Sb4 -","4","1","","Chandrakanta Dash; Muhammed Yousufuddin; Thomas R. Cundari; H. V. Rasika Dias","Gold-Mediated Expulsion of Dinitrogen from Organic Azides","Journal of the American Chemical Society","2013","135","","15479","15488","10.1021/ja406027x","","","0.71073","MoKα","","0.0398","0.0363","","","0.087","0.0891","","","","","","1.013","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120931","12.3193","0.0006","12.4746","0.0006","16.1379","0.0008","96.96","0.001","102.634","0.001","114.233","0.001","2143.84","0.18","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C39 H59 Au Cl2 F6 N3 O Sb -","- C39 H59 Au Cl2 F6 N3 O Sb -","- C78 H118 Au2 Cl4 F12 N6 O2 Sb2 -","2","1","","Chandrakanta Dash; Muhammed Yousufuddin; Thomas R. Cundari; H. V. Rasika Dias","Gold-Mediated Expulsion of Dinitrogen from Organic Azides","Journal of the American Chemical Society","2013","135","","15479","15488","10.1021/ja406027x","","","0.71073","MoKα","","0.0482","0.0379","","","0.0863","0.0908","","","","","","1.014","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120932","9.7961","0.0008","16.7771","0.0013","12.9004","0.001","90","","110.982","0.002","90","","1979.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H53 Au F6 N5 Sb -","- C37 H53 Au F6 N5 Sb -","- C74 H106 Au2 F12 N10 Sb2 -","2","1","","Chandrakanta Dash; Muhammed Yousufuddin; Thomas R. Cundari; H. V. Rasika Dias","Gold-Mediated Expulsion of Dinitrogen from Organic Azides","Journal of the American Chemical Society","2013","135","","15479","15488","10.1021/ja406027x","","","0.71073","MoKα","","0.0439","0.0381","","","0.0821","0.0841","","","","","","1.004","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120933","19.2322","0.0007","20.4284","0.0008","21.0029","0.0008","90","","90","","90","","8251.7","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H55 Au Cl2 F6 N3 Sb -","- C38 H55 Au Cl2 F6 N3 Sb -","- C304 H440 Au8 Cl16 F48 N24 Sb8 -","8","1","","Chandrakanta Dash; Muhammed Yousufuddin; Thomas R. Cundari; H. V. Rasika Dias","Gold-Mediated Expulsion of Dinitrogen from Organic Azides","Journal of the American Chemical Society","2013","135","","15479","15488","10.1021/ja406027x","","","0.71073","MoKα","","0.0434","0.032","","","0.0815","0.0884","","","","","","1.008","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120934","31.8047","0.0009","7.4805","0.0003","9.8565","0.0003","90","","90","","90","","2345.01","0.14","293","2","293","2","","","","","","","","5","P b a 2","P 2 -2ab","32","","","","- C26 H20 N2 O10.5 Tb -","- C26 H17 N2 O10.5 Tb -","- C104 H68 N8 O42 Tb4 -","4","1","","Xingtang Rao; Tao Song; Junkuo Gao; Yuanjing Cui; Yu Yang; Chuande Wu; Banglin Chen; Guodong Qian","A Highly Sensitive Mixed Lanthanide Metal-Organic Framework Self-Calibrated Luminescent Thermometer","Journal of the American Chemical Society","2013","135","","15559","15564","10.1021/ja407219k","","","0.71073","MoKα","","0.0437","0.0387","","","0.0939","0.0974","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120935","21.1248","0.0002","18.6833","0.0002","12.3421","0.0001","90","","113.109","0.001","90","","4480.33","0.08","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H31 Cl Co2 F12 N10 P2 -","- C43 H31 Cl Co2 F12 N10 P2 -","- C172 H124 Cl4 Co8 F48 N40 P8 -","4","0.5","","Sukanta Mandal; Shinya Shikano; Yusuke Yamada; Yong-Min Lee; Wonwoo Nam; Antoni Llobet; Shunichi Fukuzumi","Protonation Equilibrium and Hydrogen Production by a Dinuclear Cobalt-Hydride Complex Reduced by Cobaltocene with Trifluoroacetic Acid","Journal of the American Chemical Society","2013","135","","15294","15297","10.1021/ja408080z","","","0.71073","MoKα","","0.0471","0.0354","","","0.112","0.123","","","","","","0.925","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120936","11.849","0.0012","12.0246","0.0008","14.9184","0.0014","96.481","0.007","108.989","0.009","104.065","0.007","1906.5","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H57 Br Cl2 N4 Ni O2 P2 -","- C31 H57 Br Cl2 N4 Ni O2 P2 -","- C62 H114 Br2 Cl4 N8 Ni2 O4 P4 -","2","1","","Daniel Gallego; Andreas Brück; Elisabeth Irran; Florian Meier; Martin Kaupp; Matthias Driess; John F. Hartwig","From Bis(silylene) and Bis(germylene) Pincer-Type Nickel(II) Complexes to Isolable Intermediates of the Nickel-Catalyzed Sonogashira Cross-Coupling Reaction","Journal of the American Chemical Society","2013","135","","15617","15626","10.1021/ja408137t","","","0.71073","MoKα","","0.1108","0.0631","","","0.0869","0.1007","","","","","","0.982","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120937","34.2351","0.0008","19.3827","0.0003","18.1672","0.0003","90","","92.62","0.002","90","","12042.6","0.4","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C123 H168 Br2 Cu2 N8 Ni2 O4 Si4 -","- C123 H168 Br2 Cu2 N8 Ni2 O4 Si4 -","- C492 H672 Br8 Cu8 N32 Ni8 O16 Si16 -","4","0.5","","Daniel Gallego; Andreas Brück; Elisabeth Irran; Florian Meier; Martin Kaupp; Matthias Driess; John F. Hartwig","From Bis(silylene) and Bis(germylene) Pincer-Type Nickel(II) Complexes to Isolable Intermediates of the Nickel-Catalyzed Sonogashira Cross-Coupling Reaction","Journal of the American Chemical Society","2013","135","","15617","15626","10.1021/ja408137t","","","1.54184","CuKα","","0.0898","0.0711","","","0.1761","0.1899","","","","","","1.535","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120938","9.0981","0.0001","25.6671","0.0002","22.5949","0.0002","90","","91.417","0.001","90","","5274.79","0.09","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H79 Br N4 Ni O2 Si2 -","- C50 H79 Br N4 Ni O2 Si2 -","- C200 H316 Br4 N16 Ni4 O8 Si8 -","4","1","","Daniel Gallego; Andreas Brück; Elisabeth Irran; Florian Meier; Martin Kaupp; Matthias Driess; John F. Hartwig","From Bis(silylene) and Bis(germylene) Pincer-Type Nickel(II) Complexes to Isolable Intermediates of the Nickel-Catalyzed Sonogashira Cross-Coupling Reaction","Journal of the American Chemical Society","2013","135","","15617","15626","10.1021/ja408137t","","","1.54184","CuKα","","0.0622","0.0577","","","0.1575","0.1641","","","","","","1.447","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120939","12.2414","0.0004","20.7843","0.0007","21.9693","0.0007","73.485","0.003","74.053","0.003","73.009","0.003","5011.9","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H65 I N4 Ni O2 Si2 -","- C44 H65 I N4 Ni O2 Si2 -","- C176 H260 I4 N16 Ni4 O8 Si8 -","4","2","","Daniel Gallego; Andreas Brück; Elisabeth Irran; Florian Meier; Martin Kaupp; Matthias Driess; John F. Hartwig","From Bis(silylene) and Bis(germylene) Pincer-Type Nickel(II) Complexes to Isolable Intermediates of the Nickel-Catalyzed Sonogashira Cross-Coupling Reaction","Journal of the American Chemical Society","2013","135","","15617","15626","10.1021/ja408137t","","","1.54184","CuKα","","0.1354","0.1052","","","0.2023","0.222","","","","","","1.516","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120940","10.5224","0.0005","13.4646","0.0006","17.1624","0.0006","105.524","0.004","99.379","0.003","97.497","0.004","2272.45","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H65 Br Ge2 N4 O2 -","- C44 H65 Br Ge2 N4 O2 -","- C88 H130 Br2 Ge4 N8 O4 -","2","1","","Daniel Gallego; Andreas Brück; Elisabeth Irran; Florian Meier; Martin Kaupp; Matthias Driess; John F. Hartwig","From Bis(silylene) and Bis(germylene) Pincer-Type Nickel(II) Complexes to Isolable Intermediates of the Nickel-Catalyzed Sonogashira Cross-Coupling Reaction","Journal of the American Chemical Society","2013","135","","15617","15626","10.1021/ja408137t","","","0.71073","MoKα","","0.0511","0.0357","","","0.0818","0.0874","","","","","","1.03","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120941","9.1417","0.0003","22.4188","0.0005","26.2145","0.0008","90","","97.257","0.003","90","","5329.5","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H73 Br Ge2 N4 Ni O2 -","- C51 H73 Br Ge2 N4 Ni O2 -","- C204 H292 Br4 Ge8 N16 Ni4 O8 -","4","1","","Daniel Gallego; Andreas Brück; Elisabeth Irran; Florian Meier; Martin Kaupp; Matthias Driess; John F. Hartwig","From Bis(silylene) and Bis(germylene) Pincer-Type Nickel(II) Complexes to Isolable Intermediates of the Nickel-Catalyzed Sonogashira Cross-Coupling Reaction","Journal of the American Chemical Society","2013","135","","15617","15626","10.1021/ja408137t","","","0.71073","MoKα","","0.0661","0.0462","","","0.0871","0.0932","","","","","","1.081","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120942","21.6098","0.0002","19.9642","0.0002","32.5982","0.0002","90","","102.6","0.001","90","","13724.9","0.2","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C71 H86 Br Cu Ge2 N4 Ni O2 -","- C71 H86 Br Cu Ge2 N4 Ni O2 -","- C568 H688 Br8 Cu8 Ge16 N32 Ni8 O16 -","8","2","","Daniel Gallego; Andreas Brück; Elisabeth Irran; Florian Meier; Martin Kaupp; Matthias Driess; John F. Hartwig","From Bis(silylene) and Bis(germylene) Pincer-Type Nickel(II) Complexes to Isolable Intermediates of the Nickel-Catalyzed Sonogashira Cross-Coupling Reaction","Journal of the American Chemical Society","2013","135","","15617","15626","10.1021/ja408137t","","","1.54184","CuKα","","0.0676","0.0626","","","0.1708","0.1775","","","","","","1.681","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120943","10.7683","0.0006","19.845","0.0012","22.5472","0.0012","90","","90","","90","","4818.3","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H88 N3 Ni Si2 -","- C46 H88 N3 Ni Si2 -","- C184 H352 N12 Ni4 Si8 -","4","1","","Michael I. Lipschutz; Xinzheng Yang; Ruchira Chatterjee; T. Don Tilley","A Structurally Rigid Bis(amido) Ligand Framework in Low-Coordinate Ni(I), Ni(II), and Ni(III) Analogues Provides Access to a Ni(III) Methyl Complex via Oxidative Addition","Journal of the American Chemical Society","2013","135","","15298","15301","10.1021/ja408151h","","","0.71073","MoKα","","0.0526","0.0364","","","0.0625","0.0673","","","","","","1.037","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120944","13.3749","0.0009","13.3774","0.0009","18.2349","0.0012","90","","90","","90","","3262.6","0.4","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C30 H52 K N2 Ni Si2 -","- C30 H52 K N2 Ni Si2 -","- C120 H208 K4 N8 Ni4 Si8 -","4","0.5","","Michael I. Lipschutz; Xinzheng Yang; Ruchira Chatterjee; T. Don Tilley","A Structurally Rigid Bis(amido) Ligand Framework in Low-Coordinate Ni(I), Ni(II), and Ni(III) Analogues Provides Access to a Ni(III) Methyl Complex via Oxidative Addition","Journal of the American Chemical Society","2013","135","","15298","15301","10.1021/ja408151h","","","0.71073","MoKα","","0.0391","0.0284","","","0.0619","0.0676","","","","","","1.03","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120945","11.8649","0.0013","17.206","0.002","17.3304","0.0019","82.23","0.005","71.21","0.005","88.85","0.005","3317.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H55 N2 Ni Si2 -","- C31 H55 N2 Ni Si2 -","- C124 H220 N8 Ni4 Si8 -","4","2","","Michael I. Lipschutz; Xinzheng Yang; Ruchira Chatterjee; T. Don Tilley","A Structurally Rigid Bis(amido) Ligand Framework in Low-Coordinate Ni(I), Ni(II), and Ni(III) Analogues Provides Access to a Ni(III) Methyl Complex via Oxidative Addition","Journal of the American Chemical Society","2013","135","","15298","15301","10.1021/ja408151h","","","0.71073","MoKα","","0.0551","0.039","","","0.0821","0.0895","","","","","","1.04","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120946","10.41","0.0004","18.0926","0.0007","22.1319","0.0008","90","","99.612","0.002","90","","4109.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H62 N3 Ni Si -","- C42 H62 N3 Ni Si -","- C168 H248 N12 Ni4 Si4 -","4","1","","Michael I. Lipschutz; Xinzheng Yang; Ruchira Chatterjee; T. Don Tilley","A Structurally Rigid Bis(amido) Ligand Framework in Low-Coordinate Ni(I), Ni(II), and Ni(III) Analogues Provides Access to a Ni(III) Methyl Complex via Oxidative Addition","Journal of the American Chemical Society","2013","135","","15298","15301","10.1021/ja408151h","","","0.71073","MoKα","","0.0559","0.0374","","","0.0837","0.0922","","","","","","1.024","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120947","8.8146","0.0008","9.1675","0.0008","11.1307","0.001","102.53","0.004","92.358","0.004","113.879","0.003","794.44","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H52 Co N2 Si2 -","- C30 H52 Co N2 Si2 -","- C30 H52 Co N2 Si2 -","1","0.5","","Michael I. Lipschutz; Xinzheng Yang; Ruchira Chatterjee; T. Don Tilley","A Structurally Rigid Bis(amido) Ligand Framework in Low-Coordinate Ni(I), Ni(II), and Ni(III) Analogues Provides Access to a Ni(III) Methyl Complex via Oxidative Addition","Journal of the American Chemical Society","2013","135","","15298","15301","10.1021/ja408151h","","","0.71073","MoKα","","0.024","0.0226","","","0.0605","0.0614","","","","","","1.076","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120948","18.3361","0.0004","10.44041","0.00019","23.7115","0.0005","90","","95.4604","0.0011","90","","4518.65","0.16","103","","103","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49.5 H53 Cl N8 O P -","- C49.5 H53 Cl N8 O P -","- C198 H212 Cl4 N32 O4 P4 -","4","2","","Tadahiro Takeda; Masahiro Terada","Development of a Chiral Bis(guanidino)iminophosphorane as an Uncharged Organosuperbase for the Enantioselective Amination of Ketones","Journal of the American Chemical Society","2013","135","","15306","15309","10.1021/ja408296h","","","1.54187","CuKα","","","0.0749","","","","0.2232","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120949","14.52","0.02","22.794","0.003","14.8","0.06","90","","113.303","0.003","90","","4499","19","103","","103","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H56 Cl N8 O P -","- C52 H56 Cl N8 O P -","- C208 H224 Cl4 N32 O4 P4 -","4","2","","Tadahiro Takeda; Masahiro Terada","Development of a Chiral Bis(guanidino)iminophosphorane as an Uncharged Organosuperbase for the Enantioselective Amination of Ketones","Journal of the American Chemical Society","2013","135","","15306","15309","10.1021/ja408296h","","","1.54187","CuKα","","","0.0583","","","","0.173","","","","","","1.091","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120950","9.81931","0.00018","10.04597","0.00018","39.4865","0.0007","90","","90","","90","","3895.13","0.12","103","","103","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H48 Br N8 P -","- C43 H48 Br N8 P -","- C172 H192 Br4 N32 P4 -","4","1","","Tadahiro Takeda; Masahiro Terada","Development of a Chiral Bis(guanidino)iminophosphorane as an Uncharged Organosuperbase for the Enantioselective Amination of Ketones","Journal of the American Chemical Society","2013","135","","15306","15309","10.1021/ja408296h","","","1.54187","CuKα","","","0.0342","","","","0.0903","","","","","","1.014","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120951","6.43119","0.00019","11.1622","0.0004","16.6648","0.0006","90","","90","","90","","1196.3","0.07","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Br N2 O -","- C11 H15 Br N2 O -","- C44 H60 Br4 N8 O4 -","4","1","","Tadahiro Takeda; Masahiro Terada","Development of a Chiral Bis(guanidino)iminophosphorane as an Uncharged Organosuperbase for the Enantioselective Amination of Ketones","Journal of the American Chemical Society","2013","135","","15306","15309","10.1021/ja408296h","","","1.54187","CuKα","","","0.0219","","","","0.0535","","","","","","1.088","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120952","10.6826","0.0005","19.2062","0.0009","14.3149","0.0006","90","","108.068","0.002","90","","2792.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tBuP2BCoN2","","","- C24 H44 B Co N4 P2 -","- C24 H44 B Co N4 P2 -","- C96 H176 B4 Co4 N16 P8 -","4","1","","Tzu-Pin Lin; Jonas C. Peters","Boryl-Mediated Reversible H2 Activation at Cobalt: Catalytic Hydrogenation, Dehydrogenation, and Transfer Hydrogenation","Journal of the American Chemical Society","2013","135","","15310","15313","10.1021/ja408397v","","","0.71073","MoKα","","0.0653","0.0381","","","0.0878","0.0989","","","","","","1.003","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120953","21.5465","0.001","21.5973","0.001","23.2708","0.0011","90","","90","","90","","10829","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","tBuP2BH2CoH2","","","- C24 H48 B Co N2 P2 -","- C24 H44 B Co N2 P2 -","- C384 H704 B16 Co16 N32 P32 -","16","4","","Tzu-Pin Lin; Jonas C. Peters","Boryl-Mediated Reversible H2 Activation at Cobalt: Catalytic Hydrogenation, Dehydrogenation, and Transfer Hydrogenation","Journal of the American Chemical Society","2013","135","","15310","15313","10.1021/ja408397v","","","0.71073","MoKα","","0.0805","0.0654","","","0.1606","0.1678","","","","","","1.008","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120954","11.8394","0.0012","14.3974","0.0016","32.035","0.003","90","","90","","90","","5460.6","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","tBuP2BHCoBH4","","","- C24 H49 B2 Co N2 P2 -","- C24 H49 B2 Co N2 P2 -","- C192 H392 B16 Co8 N16 P16 -","8","1","","Tzu-Pin Lin; Jonas C. Peters","Boryl-Mediated Reversible H2 Activation at Cobalt: Catalytic Hydrogenation, Dehydrogenation, and Transfer Hydrogenation","Journal of the American Chemical Society","2013","135","","15310","15313","10.1021/ja408397v","","","0.71073","MoKα","","0.071","0.0442","","","0.1332","0.15","","","","","","1.013","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120955","18.6056","0.0007","19.2797","0.0007","17.9414","0.0007","90","","90.705","0.003","90","","6435.3","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(2-MeIm),2EtOH","","","- C72 H82 Fe N10 O6 -","- C72 H82 Fe N10 O6 -","- C288 H328 Fe4 N40 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.0746","0.0622","","","0.1754","0.1886","","","","","","1.028","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120956","18.7415","0.0006","19.4323","0.0006","17.8179","0.0006","90","","91.609","0.002","90","","6486.6","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(2-MeIm)(O2)],1.5EtOH","","","- C71 H79 Fe N10 O7.5 -","- C71 H79 Fe N10 O7.5 -","- C284 H316 Fe4 N40 O30 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.0738","0.0661","","","0.1787","0.1848","","","","","","1.131","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120957","18.8982","0.0019","19.479","0.002","18.313","0.002","90","","91.743","0.004","90","","6738.2","1.2","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(2-MeIm)0.65(O2)],EtOH","","","- C70 H76 Fe N10 O6.3 -","- C70 H76 Fe N10 O6.29 -","- C280 H304 Fe4 N40 O25.16 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.1019","0.0873","","","0.252","0.2634","","","","","","1.185","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120958","18.6188","0.0009","19.3919","0.0009","17.9767","0.0009","90","","90.678","0.002","90","","6490.1","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(2-MeIm)],2EtOH","","","- C72 H82 Fe N10 O6 -","- C72 H82 Fe N10 O6 -","- C288 H328 Fe4 N40 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.0723","0.0618","","","0.1779","0.1901","","","","","","1.036","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120959","18.684","0.0006","19.4628","0.0006","17.766","0.0005","90","","91.612","0.002","90","","6457.9","0.3","80","2","80","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(2-MeIm)(O2)],1.6EtOH","","","- C71.2 H79.6 Fe N10 O7.6 -","- C71.2 H79.6 Fe N10 O7.3 -","- C284.8 H318.4 Fe4 N40 O29.2 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.0818","0.0784","","","0.1835","0.1851","","","","","","1.207","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120960","18.7058","0.0005","19.4848","0.0006","17.8094","0.0005","90","","91.598","0.001","90","","6488.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(2-MeIm)(O2)],1.8EtOH","","","- C71.6 H80.8 Fe N10 O7.8 -","- C71.6 H80.8 Fe N10 O7.8 -","- C286.4 H323.2 Fe4 N40 O31.2 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.0813","0.076","","","0.1828","0.1854","","","","","","1.205","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120961","18.7022","0.0006","19.4689","0.0007","17.7991","0.0006","90","","91.631","0.002","90","","6478.2","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(2-MeIm)(O2)],1.8EtOH","","","- C71.6 H80.8 Fe N10 O7.8 -","- C71.6 H80.8 Fe N10 O7.8 -","- C286.4 H323.2 Fe4 N40 O31.2 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.0774","0.0731","","","0.1791","0.1813","","","","","","1.188","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120962","18.7766","0.0005","19.5182","0.0006","18.0082","0.0005","90","","91.65","0.001","90","","6597","0.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(2-MeIm)(O2)],1.8EtOH","","","- C71.6 H80.8 Fe N10 O7.8 -","- C71.6 H80.8 Fe N10 O7.8 -","- C286.4 H323.2 Fe4 N40 O31.2 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.0543","0.0469","","","0.1347","0.1425","","","","","","1.055","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120963","18.8646","0.0006","19.5555","0.0007","18.2826","0.0006","90","","91.778","0.002","90","","6741.3","0.4","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(2-MeIm)0.9(O2)],1.4EtOH","","","- C70.8 H79.2 Fe N10 O7.2 -","- C70.8 H79.2 Fe N10 O7.2 -","- C283.2 H316.8 Fe4 N40 O28.8 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.0852","0.0707","","","0.203","0.2144","","","","","","1.116","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120964","18.4871","0.0008","19.0657","0.001","18.2617","0.0008","90","","90.01","0.002","90","","6436.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(1-EtIm)(O2)], benzene","","","- C75 H78 Fe N10 O6 -","- C75 H78 Fe N10 O6 -","- C300 H312 Fe4 N40 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.0927","0.0704","","","0.1603","0.1688","","","","","","1.208","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120965","18.5288","0.0009","19.207","0.001","18.4449","0.0008","90","","90.359","0.002","90","","6564.1","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(1-EtIm)(O2)], benzene","","","- C75 H78 Fe N10 O6 -","- C75 H78 Fe N10 O6 -","- C300 H312 Fe4 N40 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.1255","0.0601","","","0.1492","0.1849","","","","","","1.048","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120966","18.612","0.002","19.371","0.003","18.668","0.002","90","","90.815","0.007","90","","6729.8","1.5","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(1-EtIm)(O2)], benzene","","","- C75 H78 Fe N10 O6 -","- C75 H78 Fe N10 O6 -","- C300 H312 Fe4 N40 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.1312","0.0636","","","0.1754","0.2205","","","","","","1.011","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120967","18.537","0.002","19.176","0.002","18.28","0.002","90","","91.074","0.002","90","","6496.8","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(1-MeIm)(O2)]1-MeIm, 0.48(PhCl), 0.28(1-MeIm)","","","- C72 H74.08 Cl0.48 Fe N10.56 O6 -","- C71.7 H70 Cl0.48 Fe N10.84 O5.98 -","- C286.8 H280 Cl1.92 Fe4 N43.36 O23.92 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.7749","synchrotron","","0.1012","0.0714","","","0.1928","0.2192","","","","","","1.033","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120968","18.6354","0.0014","19.3094","0.0014","18.4577","0.0013","90","","91.215","0.002","90","","6640.3","0.8","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(1-MeIm)(O2)]1-MeIm, 0.48(PhCl), 0.28(1-MeIm)","","","- C72 H74.08 Cl0.48 Fe N10.56 O6 -","- C71.696 H70 Cl0.48 Fe N10.84 O5.976 -","- C286.784 H280 Cl1.92 Fe4 N43.36 O23.904 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.7749","synchrotron","","0.0775","0.0595","","","0.1691","0.1842","","","","","","1.065","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120969","18.7509","0.0016","19.4484","0.0017","18.6503","0.0016","90","","91.267","0.001","90","","6799.6","1","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(1-MeIm)(O2)]1-MeIm, 0.48(PhCl), 0.28(1-MeIm)","","","- C72 H74.08 Cl0.48 Fe N10.56 O6 -","- C71.72 H70 Cl0.48 Fe N10.84 O6 -","- C286.88 H280 Cl1.92 Fe4 N43.36 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.7749","synchrotron","","0.092","0.0642","","","0.1822","0.207","","","","","","1.042","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120970","7.4148","0.0002","8.091","0.0002","11.0119","0.0003","99.725","0.002","95.624","0.001","101.077","0.001","633.18","0.03","200","2","200","2","","","","","","","","4","P -1","-P 1","2","2a in manuscript","","","- C14 H13 I O -","- C14 H13 I O -","- C28 H26 I2 O2 -","2","1","","Pascal Nösel; Laura Nunes dos Santos Comprido; Tobias Lauterbach; Matthias Rudolph; Frank Rominger; A. Stephen K. Hashmi","1,6-Carbene Transfer: Gold-Catalyzed Oxidative Diyne Cyclizations","Journal of the American Chemical Society","2013","135","","15662","15666","10.1021/ja4085385","","","0.71073","MoKα","","0.0276","0.0254","","","0.0598","0.0613","","","","","","1.122","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120971","6.62","0.002","8.488","0.003","15.977","0.006","96.591","0.012","101.95","0.008","100.568","0.009","852.4","0.5","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H26 O -","- C20 H26 O -","- C40 H52 O2 -","2","1","","Pascal Nösel; Laura Nunes dos Santos Comprido; Tobias Lauterbach; Matthias Rudolph; Frank Rominger; A. Stephen K. Hashmi","1,6-Carbene Transfer: Gold-Catalyzed Oxidative Diyne Cyclizations","Journal of the American Chemical Society","2013","135","","15662","15666","10.1021/ja4085385","","","0.71073","MoKα","","0.1126","0.0587","","","0.1259","0.1462","","","","","","1.063","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120972","6.6643","0.0018","8.344","0.002","23.072","0.006","90","","90","","90","","1283","0.6","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 I O2 -","- C16 H9 I O2 -","- C64 H36 I4 O8 -","4","1","","Pascal Nösel; Laura Nunes dos Santos Comprido; Tobias Lauterbach; Matthias Rudolph; Frank Rominger; A. Stephen K. Hashmi","1,6-Carbene Transfer: Gold-Catalyzed Oxidative Diyne Cyclizations","Journal of the American Chemical Society","2013","135","","15662","15666","10.1021/ja4085385","","","0.71073","MoKα","","0.0445","0.0335","","","0.0722","0.0748","","","","","","0.999","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120973","11.1951","0.0015","14.829","0.002","14.876","0.002","112.253","0.002","105.282","0.002","105.71","0.002","2005.9","0.5","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C87 H87 B F15 Mo N5 O6 -","- C87 H87 B F15 Mo N5 O6 -","- C87 H87 B F15 Mo N5 O6 -","1","1","","Matthew F. Cain; William P. Forrest; Dmitry V. Peryshkov; Richard R. Schrock; Peter Müller","Synthesis of a TREN in Which the Aryl Substituents are Part of a 45 Atom Macrocycle","Journal of the American Chemical Society","2013","135","","15338","15341","10.1021/ja408964g","","","0.71073","MoKα","","0.0678","0.0607","","","0.1629","0.1692","","","","","","1.05","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120974","19.9236","0.0016","20.4231","0.0016","22.4064","0.0017","90.449","0.002","90.293","0.002","118.409","0.001","8018.6","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H87 B F15 Mo N5 O6 -","- C78 H87 B F15 Mo N5 O6 -","- C312 H348 B4 F60 Mo4 N20 O24 -","4","2","","Matthew F. Cain; William P. Forrest; Dmitry V. Peryshkov; Richard R. Schrock; Peter Müller","Synthesis of a TREN in Which the Aryl Substituents are Part of a 45 Atom Macrocycle","Journal of the American Chemical Society","2013","135","","15338","15341","10.1021/ja408964g","","","0.71073","MoKα","","0.1248","0.0909","","","0.2651","0.2834","","","","","","1.051","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120975","19.2832","0.0004","13.3747","0.0003","20.5415","0.0004","90","","103.562","0.001","90","","5150.08","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C57 H81 N4 O6 -","- C57 H81 N4 O6 -","- C228 H324 N16 O24 -","4","1","","Matthew F. Cain; William P. Forrest; Dmitry V. Peryshkov; Richard R. Schrock; Peter Müller","Synthesis of a TREN in Which the Aryl Substituents are Part of a 45 Atom Macrocycle","Journal of the American Chemical Society","2013","135","","15338","15341","10.1021/ja408964g","","","1.54178","CuKα","","0.1053","0.0653","","","0.1812","0.2107","","","","","","1.026","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120976","18.6748","0.0011","7.0415","0.0004","26.4106","0.0016","90","","96.6267","0.0007","90","","3449.8","0.4","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O6 -","- C20 H19 N O6 -","- C160 H152 N8 O48 -","8","2","","Gregory L. Lackner; Kyle W. Quasdorf; Larry E. Overman","Direct Construction of Quaternary Carbons from Tertiary Alcohols via Photoredox-Catalyzed Fragmentation of tert-Alkyl N-Phthalimidoyl Oxalates","Journal of the American Chemical Society","2013","135","","15342","15345","10.1021/ja408971t","","","0.71073","MoKα","","0.0509","0.0363","","","0.0822","0.0896","","","","","","1.014","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120977","13.9764","0.0011","6.0441","0.0005","14.2367","0.0011","90","","105.311","0.0009","90","","1159.96","0.16","143","2","143","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H44 O3 -","- C25 H44 O3 -","- C50 H88 O6 -","2","1","","Gregory L. Lackner; Kyle W. Quasdorf; Larry E. Overman","Direct Construction of Quaternary Carbons from Tertiary Alcohols via Photoredox-Catalyzed Fragmentation of tert-Alkyl N-Phthalimidoyl Oxalates","Journal of the American Chemical Society","2013","135","","15342","15345","10.1021/ja408971t","","","0.71073","MoKα","","0.0505","0.0402","","","0.0949","0.1005","","","","","","1.026","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120978","5.2962","0.0006","11.327","0.0013","17.3316","0.0018","90","","105.02","0.003","90","","1004.2","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F2 N6 S8 -","- C14 H10 F2 N6 S8 -","- C28 H20 F4 N12 S16 -","2","0.5","","Hoa Phan; Kristina Lekin; Stephen M. Winter; Richard T. Oakley; Michael Shatruk","Photoinduced Solid State Conversion of a Radical σ-Dimer to a π-Radical Pair","Journal of the American Chemical Society","2013","135","","15674","15677","10.1021/ja4055806","","","0.71073","MoKα","","0.0337","0.029","","","0.0644","0.0662","","","","","","1.128","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120979","5.1383","0.0008","11.411","0.0017","17.384","0.003","90","","105.192","0.004","90","","983.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 F N3 S4 -","- C7 H5 F N3 S4 -","- C28 H20 F4 N12 S16 -","4","1","","Hoa Phan; Kristina Lekin; Stephen M. Winter; Richard T. Oakley; Michael Shatruk","Photoinduced Solid State Conversion of a Radical σ-Dimer to a π-Radical Pair","Journal of the American Chemical Society","2013","135","","15674","15677","10.1021/ja4055806","","","0.71073","MoKα","","0.0496","0.0312","","","0.0653","0.0711","","","","","","1.066","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120980","13.119","0.0006","15.2041","0.0007","18.3188","0.0009","90","","90","","90","","3653.9","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H48 B2 F8 P2 Pd2 -","- C37 H48 B2 F8 P2 Pd2 -","- C148 H192 B8 F32 P8 Pd8 -","4","1","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","","0.71073","MoKα","","0.0308","0.025","","","0.0421","0.0429","","","","","","1.558","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120981","18.02","0.004","15.34","0.003","13.56","0.003","90","","90","","90","","3748.3","1.4","100","","100","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C37 H48 B2 F8 O P2 Pd2 -","- C37 H48 B2 F8 O P2 Pd2 -","- C148 H192 B8 F32 O4 P8 Pd8 -","4","0.5","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","x-ray","0.7293","synchrotron","","0.0245","0.0242","","","0.0649","0.0651","","","","","","1.106","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120982","15.2809","0.0008","12.8833","0.0006","18.3268","0.0009","90","","90.062","0.003","90","","3608","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 B2 F8 P2 Pd2 -","- C34 H42 B2 F8 P2 Pd2 -","- C136 H168 B8 F32 P8 Pd8 -","4","1","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","","0.71073","MoKα","","0.0909","0.0711","","","0.1838","0.1986","","","","","","1.026","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120983","11.8911","0.0005","13.5564","0.0006","23.4012","0.0011","90","","100.514","0.002","90","","3708.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 B2 F8 P2 Pd2 -","- C36 H48 B2 F8 P2 Pd2 -","- C144 H192 B8 F32 P8 Pd8 -","4","1","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","","0.71073","MoKα","","0.1703","0.1656","","","0.324","0.3258","","","","","","1.097","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120984","19.29","0.0011","16.1824","0.0009","23.3891","0.0013","90","","90","","90","","7301.1","0.7","100","2","100.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H44 B2 F8 P2 Pd2 S -","- C34 H44 B2 F8 P2 Pd2 S -","- C272 H352 B16 F64 P16 Pd16 S8 -","8","1","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","","0.71073","MoKα","","0.0418","0.0269","","","0.0624","0.0719","","","","","","1.06","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120985","17.95","0.004","15.271","0.003","13.363","0.003","90","","90","","90","","3663","1.4","100","","100","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C35 H46 B2 F8 P2 Pd2 S -","- C35 H46 B2 F8 P2 Pd2 S -","- C140 H184 B8 F32 P8 Pd8 S4 -","4","0.5","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","x-ray","0.7293","synchrotron","","0.0336","0.0333","","","0.088","0.0883","","","","","","1.069","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120986","18.338","0.004","15.222","0.003","13.065","0.003","90","","90","","90","","3647","1.4","100","","100","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C35 H46 B2 F8 P2 Pd2 S -","- C35 H46 B2 F8 P2 Pd2 S -","- C140 H184 B8 F32 P8 Pd8 S4 -","4","0.5","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","","0.7293","synchrotron","","0.0377","0.0376","","","0.1086","0.1089","","","","","","0.781","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120987","11.88","0.002","19.07","0.004","16.44","0.003","90","0.03","98.53","0.03","90","0.03","3683.3","1.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H46 B2 F8 O P2 Pd2 -","- C35 H46 B2 F8 O P2 Pd2 -","- C140 H184 B8 F32 O4 P8 Pd8 -","4","1","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","x-ray","0.7293","synchrotron","","0.041","0.0406","","","0.1093","0.1096","","","","","","1.113","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120988","9.9974","0.0004","14.9331","0.0006","28.0415","0.0011","90","","94.887","0.002","90","","4171.2","0.3","100","2","100.15","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C39 H49 B2 F8 N O2 P2 Pd2 S -","- C39 H49 B2 F8 N O2 P2 Pd2 S -","- C156 H196 B8 F32 N4 O8 P8 Pd8 S4 -","4","1","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","","0.71073","MoKα","","0.0243","0.0214","","","0.0479","0.0489","","","","","","1.111","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120989","31.05","0.006","15.19","0.003","20.77","0.004","90","","121.85","0.03","90","","8321","4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H47 B2 F8 N P2 Pd2 -","- C38 H47 B2 F8 N P2 Pd2 -","- C304 H376 B16 F64 N8 P16 Pd16 -","8","1","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","x-ray","0.7293","synchrotron","","0.0387","0.0377","","","0.101","0.1016","","","","","","1.159","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120990","19.3947","0.0011","11.1339","0.0006","20.5887","0.0012","90","","103.026","0.002","90","","4331.5","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 B2 F8 P2 Pd2 S -","- C44 H52 B2 F8 P2 Pd2 S -","- C176 H208 B8 F32 P8 Pd8 S4 -","4","0.5","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","","0.71073","MoKα","","0.0432","0.0322","","","0.0614","0.0631","","","","","","1.667","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120991","8.6364","0.0003","15.3772","0.0006","25.2392","0.001","90","","91.591","0.002","90","","3350.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 B F4 P2 Pd2 -","- C33 H45 B F4 P2 Pd2 -","- C132 H180 B4 F16 P8 Pd8 -","4","1","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","","0.71073","MoKα","","0.0673","0.0398","","","0.0807","0.0934","","","","","","1.072","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120992","14.6826","0.0006","13.1786","0.0005","17.8342","0.0007","90","","94.303","0.002","90","","3441.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 B F4 N2 P2 Pd2 -","- C34 H45 B F4 N2 P2 Pd2 -","- C136 H180 B4 F16 N8 P8 Pd8 -","4","1","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","","0.71073","MoKα","","0.0908","0.0509","","","0.1012","0.1115","","","","","","1.056","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120993","21.9986","0.0003","21.9986","0.0003","29.9603","0.0006","90","","90","","90","","14498.9","0.4","293","","293","","","","","","","","","5","I 4/m","-I 4","87","","","","- C208 H198 Cl18 O112 U38 -","- C208 H200 Cl18 O114 U38 -","- C416 H400 Cl36 O228 U76 -","2","0.125","","Clément Falaise; Christophe Volkringer; Jean-François Vigier; Arnaud Beaurain; Pascal Roussel; Pierre Rabu; Thierry Loiseau","Isolation of the Large {Actinide}38 Poly-oxo Cluster with Uranium","Journal of the American Chemical Society","2013","135","","15678","15681","10.1021/ja4067207","","x-ray","0.71069","MoKα","","0.0799","0.0477","","","0.0631","0.0647","","","","2.32","2.32","1.94","","","","has coordinates,has Fobs","178986","2020-10-21","18:00:00",""
"4120994","8.7057","0.0004","8.7057","0.0004","12.7389","0.0009","90","","90","","90","","965.47","0.09","100","2","100","2","","","","","","","","4","P 42/n m c :2","-P 4ac 2a","137","","","","- Li10 P2 S12 Sn -","- Li10 P2 S12 Sn -","- Li20 P4 S24 Sn2 -","2","0.125","","Philipp Bron; Sebastian Johansson; Klaus Zick; Jörn Schmedt auf der Günne; Stefanie Dehnen; Bernhard Roling","Li10SnP2S12: An Affordable Lithium Superionic Conductor","Journal of the American Chemical Society","2013","135","","15694","15697","10.1021/ja407393y","","","0.71073","MoKα","","0.0543","0.0366","","","0.0904","0.0954","","","","","","0.916","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120995","9.4348","0.0002","9.4885","0.0002","11.5808","0.0008","98.386","0.007","92.646","0.007","93.785","0.007","1021.78","0.08","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H28 Al4 B2 Br14 N4 -","- C14 H28 Al4 B2 Br14 N4 -","- C14 H28 Al4 B2 Br14 N4 -","1","0.5","","Aleksandrs Prokofjevs; Jeff W. Kampf; Andrey Solovyev; Dennis P. Curran; Edwin Vedejs","Weakly Stabilized Primary Borenium Cations and Their Dicationic Dimers","Journal of the American Chemical Society","2013","135","","15686","15689","10.1021/ja407458k","","","1.54178","CuKα","","0.0394","0.0371","","","0.0909","0.0927","","","","","","1.085","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120996","29.75","0.003","9.313","0.0008","15.7483","0.0014","90","","102.096","0.001","90","","4266.4","0.7","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H36 N8 O16 S2 Zn2 -","- C24 H36 N8 O16 S2 Zn2 -","- C96 H144 N32 O64 S8 Zn8 -","4","1","","Kamal Kumar Bisht; Eringathodi Suresh","Spontaneous Resolution to Absolute Chiral Induction: Pseudo-Kagomé Type Homochiral Zn(II)/Co(II) Coordination Polymers with Achiral Precursors","Journal of the American Chemical Society","2013","135","","15690","15693","10.1021/ja4075369","","","0.71073","MoKα","","0.0354","0.033","","","0.083","0.084","","","","","","1.027","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120997","29.744","0.003","9.3103","0.0008","15.7335","0.0014","90","","102.302","0.001","90","","4257","0.7","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H34 N8 O15 S2 Zn2 -","- C24 H34 N8 O15 S2 Zn2 -","- C96 H136 N32 O60 S8 Zn8 -","4","1","","Kamal Kumar Bisht; Eringathodi Suresh","Spontaneous Resolution to Absolute Chiral Induction: Pseudo-Kagomé Type Homochiral Zn(II)/Co(II) Coordination Polymers with Achiral Precursors","Journal of the American Chemical Society","2013","135","","15690","15693","10.1021/ja4075369","","","0.71073","MoKα","","0.0347","0.032","","","0.0809","0.082","","","","","","1.042","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120998","29.881","0.004","9.3128","0.0013","15.675","0.002","90","","102.553","0.002","90","","4257.7","1","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H34 Co2 N8 O15 S2 -","- C24 H34 Co2 N8 O15 S2 -","- C96 H136 Co8 N32 O60 S8 -","4","1","","Kamal Kumar Bisht; Eringathodi Suresh","Spontaneous Resolution to Absolute Chiral Induction: Pseudo-Kagomé Type Homochiral Zn(II)/Co(II) Coordination Polymers with Achiral Precursors","Journal of the American Chemical Society","2013","135","","15690","15693","10.1021/ja4075369","","","0.71073","MoKα","","0.0425","0.04","","","0.0991","0.1005","","","","","","1.023","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120999","29.845","0.002","9.286","0.0007","15.6556","0.0011","90","","102.099","0.001","90","","4242.4","0.5","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H34 Co2 N8 O15 S2 -","- C24 H34 Co2 N8 O15 S2 -","- C96 H136 Co8 N32 O60 S8 -","4","1","","Kamal Kumar Bisht; Eringathodi Suresh","Spontaneous Resolution to Absolute Chiral Induction: Pseudo-Kagomé Type Homochiral Zn(II)/Co(II) Coordination Polymers with Achiral Precursors","Journal of the American Chemical Society","2013","135","","15690","15693","10.1021/ja4075369","","","0.71073","MoKα","","0.0314","0.0301","","","0.0766","0.0773","","","","","","1.046","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4121000","8.4556","0.0002","10.655","0.0002","16.3491","0.0004","97.28","0.002","104.437","0.002","101.715","0.002","1372.09","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H46 Ir N O2 P2 -","- C24 H46 Ir N O2 P2 -","- C48 H92 Ir2 N2 O4 P4 -","2","1","","Marc D. Walter; Peter S. White; Cynthia K. Schauer; Maurice Brookhart","Stability and Dynamic Processes in 16VE Iridium(III) Ethyl Hydride and Rhodium(I) σ-Ethane Complexes: Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","15933","15947","10.1021/ja4079539","","","1.54178","CuKα","","0.0458","0.0424","","","0.1124","0.115","","","","","","1.037","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121001","8.3366","0.0003","12.2975","0.0004","13.5277","0.0005","100.065","0.002","96.798","0.002","105.223","0.002","1297.75","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H44 N O2 P2 Rh -","- C23 H44 N O2 P2 Rh -","- C46 H88 N2 O4 P4 Rh2 -","2","1","","Marc D. Walter; Peter S. White; Cynthia K. Schauer; Maurice Brookhart","Stability and Dynamic Processes in 16VE Iridium(III) Ethyl Hydride and Rhodium(I) σ-Ethane Complexes: Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","15933","15947","10.1021/ja4079539","","","1.54178","CuKα","","0.0325","0.0283","","","0.0698","0.0716","","","","","","1.038","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121002","5.887","0.003","17.087","0.008","7.825","0.004","90","","90.886","0.008","90","","787","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H30 N6 S2 -","- C8 H30 N6 S2 -","- C16 H60 N12 S4 -","2","0.5","","David H. Webber; Richard L. Brutchey","Alkahest for V2VI3 Chalcogenides: Dissolution of Nine Bulk Semiconductors in a Diamine-Dithiol Solvent Mixture","Journal of the American Chemical Society","2013","135","","15722","15725","10.1021/ja4084336","","","0.71073","MoKα","","0.0236","0.0219","","","0.0611","0.0626","","","","","","1.058","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121003","10.6788","0.0012","20.598","0.002","13.0284","0.0015","90","","96.784","0.004","90","","2845.7","0.5","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C55 H43 F3 N3 O3 P Pd S -","- C55 H43 F3 N3 O3 P Pd S -","- C110 H86 F6 N6 O6 P2 Pd2 S2 -","2","1","","Abel Ros; Beatriz Estepa; Pedro Ramírez-López; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Dynamic Kinetic Cross-Coupling Strategy for the Asymmetric Synthesis of Axially Chiral Heterobiaryls","Journal of the American Chemical Society","2013","135","","15730","15733","10.1021/ja4087819","","","0.71073","MoKα","","0.0823","0.0551","","","0.1202","0.1308","","","","","","0.929","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121004","9.4525","0.0003","9.9174","0.0003","11.0529","0.0003","76.636","0.002","74.816","0.001","82.599","0.001","970.32","0.05","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H19 N O2 -","- C27 H19 N O2 -","- C54 H38 N2 O4 -","2","2","","Abel Ros; Beatriz Estepa; Pedro Ramírez-López; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Dynamic Kinetic Cross-Coupling Strategy for the Asymmetric Synthesis of Axially Chiral Heterobiaryls","Journal of the American Chemical Society","2013","135","","15730","15733","10.1021/ja4087819","","","1.54178","CuKα","","0.0256","0.0254","","","0.0673","0.0675","","","","","","1.032","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121005","14.4502","0.0001","29.0584","0.0002","15.5096","0.0001","90","","95.743","0.001","90","","6479.79","0.08","130","","130","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H84 B2 Cu2 F8 N17 O4 S2 -","- C54 H82 B2 Cu2 F8 N17 O4 S2 -","- C216 H328 B8 Cu8 F32 N68 O16 S8 -","4","1","","James L. Hickey; SinChun Lim; David J. Hayne; Brett M. Paterson; Jonathan M. White; Victor L. Villemagne; Peter Roselt; David Binns; Carleen Cullinane; Charmaine M. Jeffery; Roger I. Price; Kevin J. Barnham; Paul S. Donnelly","Diagnostic Imaging Agents for Alzheimer's Disease: Copper Radiopharmaceuticals that Target Aβ Plaques","Journal of the American Chemical Society","2013","135","","16120","16132","10.1021/ja4057807","","","1.5418","CuKα","","0.0473","0.0404","","","0.1037","0.1078","","","","","","1.034","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121006","10.041","0.0001","8.7807","0.0001","36.4738","0.0005","90","","96.735","0.001","90","","3193.59","0.07","130","","130","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 B Cu F4 N9 O2 S -","- C27 H40 B Cu F4 N9 O2 S -","- C108 H160 B4 Cu4 F16 N36 O8 S4 -","4","1","","James L. Hickey; SinChun Lim; David J. Hayne; Brett M. Paterson; Jonathan M. White; Victor L. Villemagne; Peter Roselt; David Binns; Carleen Cullinane; Charmaine M. Jeffery; Roger I. Price; Kevin J. Barnham; Paul S. Donnelly","Diagnostic Imaging Agents for Alzheimer's Disease: Copper Radiopharmaceuticals that Target Aβ Plaques","Journal of the American Chemical Society","2013","135","","16120","16132","10.1021/ja4057807","","","1.5418","CuKα","","0.0458","0.0402","","","0.0992","0.1033","","","","","","1.04","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121007","10.5117","0.0007","10.5117","0.0007","23.576","0.002","90","","90","","120","","2256","0.3","240","2","240","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H30 Cl2 Fe N24 O8 -","- C30 H30 Cl2 Fe N24 O8 -","- C60 H60 Cl4 Fe2 N48 O16 -","2","0.166667","","Eugenio Coronado; Mónica Giménez-Marqués; Guillermo Mínguez Espallargas; Fernando Rey; Iñigo J. Vitórica-Yrezábal","Spin-Crossover Modification through Selective CO2 Sorption","Journal of the American Chemical Society","2013","135","","15986","15989","10.1021/ja407135k","","","0.71073","MoKα","","0.2033","0.0984","","","0.2367","0.2975","","","","","","1.009","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121008","10.3668","0.0004","10.3668","0.0004","23.1504","0.0017","90","","90","","120","","2154.7","0.2","120","2","120","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H30 Cl2 Fe N24 O8 -","- C30 H30 Cl2 Fe N24 O8 -","- C60 H60 Cl4 Fe2 N48 O16 -","2","0.166667","","Eugenio Coronado; Mónica Giménez-Marqués; Guillermo Mínguez Espallargas; Fernando Rey; Iñigo J. Vitórica-Yrezábal","Spin-Crossover Modification through Selective CO2 Sorption","Journal of the American Chemical Society","2013","135","","15986","15989","10.1021/ja407135k","","","0.71073","MoKα","","0.1206","0.0669","","","0.1678","0.1943","","","","","","1.062","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121009","10.514099","0.000041","10.514099","0.000041","23.58029","0.00019","90","","90","","120","","2257.48","0.02","298","","298","","","","","","","","see text","6","P 63/m","-P 6c","176","","","","- C30.93 H30 Cl2 Fe N24 O9.86 -","- C30.93 H30 Cl2 Fe N24 O9.86 -","- C61.86 H60 Cl4 Fe2 N48 O19.72 -","2","0.166667","","Eugenio Coronado; Mónica Giménez-Marqués; Guillermo Mínguez Espallargas; Fernando Rey; Iñigo J. Vitórica-Yrezábal","Spin-Crossover Modification through Selective CO2 Sorption","Journal of the American Chemical Society","2013","135","","15986","15989","10.1021/ja407135k","powder diffraction","x-ray","0.826179","synchrotron","","","","","","","","","","1.63","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121010","9.079","0.007","19.085","0.007","24.21","0.03","106.28","0.03","99.73","0.02","92.6","0.02","3950","6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H62 Cl2 N2 Si2 -","- C40 H62 Cl2 N2 Si2 -","- C160 H248 Cl8 N8 Si8 -","4","2","","Kartik Chandra Mondal; Herbert W. Roesky; Birger Dittrich; Nicole Holzmann; Markus Hermann; Gernot Frenking; Alke Meents","Formation of a 1,4-Diamino-2,3-disila-1,3-butadiene Derivative","Journal of the American Chemical Society","2013","135","","15990","15993","10.1021/ja4072139","","","0.6199","synchrotron","","0.0591","0.0525","","","0.1486","0.1538","","","","","","1.036","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121011","10.177","0.004","14.588","0.005","15.114","0.006","90","","90","","90","","2243.9","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 Cl4 N Si -","- C20 H31 Cl4 N Si -","- C80 H124 Cl16 N4 Si4 -","4","1","","Kartik Chandra Mondal; Herbert W. Roesky; Birger Dittrich; Nicole Holzmann; Markus Hermann; Gernot Frenking; Alke Meents","Formation of a 1,4-Diamino-2,3-disila-1,3-butadiene Derivative","Journal of the American Chemical Society","2013","135","","15990","15993","10.1021/ja4072139","","","0.6358","synchrotron","","0.0348","0.0346","","","0.0917","0.0919","","","","","","1.059","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121012","21.9545","0.0008","8.8698","0.0003","21.0407","0.0006","90","","108.238","0.001","90","","3891.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H39 N2 O2 P2 Rh -","- C48 H39 N2 O2 P2 Rh -","- C192 H156 N8 O8 P8 Rh4 -","4","1","","Vincent T. Annibale; Daniel A. Dalessandro; Datong Song","Tuning the Reactivity of an Actor Ligand for Tandem CO2 and C-H Activations: From Spectator Metals to Metal-Free","Journal of the American Chemical Society","2013","135","","16175","16183","10.1021/ja4073832","","","0.71073","MoKα","","0.0605","0.0369","","","0.0729","0.0806","","","","","","1.014","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121013","13.1773","0.001","13.8413","0.0011","25.516","0.002","86.638","0.004","82.439","0.004","86.857","0.004","4600.3","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H96 N2 O2 P4 Rh2 -","- C114 H96 N2 O2 P4 Rh2 -","- C228 H192 N4 O4 P8 Rh4 -","2","1","","Vincent T. Annibale; Daniel A. Dalessandro; Datong Song","Tuning the Reactivity of an Actor Ligand for Tandem CO2 and C-H Activations: From Spectator Metals to Metal-Free","Journal of the American Chemical Society","2013","135","","16175","16183","10.1021/ja4073832","","","0.71073","MoKα","","0.1169","0.0633","","","0.1369","0.159","","","","","","1.061","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121014","39.8816","0.0013","9.2561","0.0003","18.4623","0.0005","90","","94.783","0.001","90","","6791.6","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H43 Cu N4 -","- C38 H43 Cu N4 -","- C304 H344 Cu8 N32 -","8","1","","Vincent T. Annibale; Daniel A. Dalessandro; Datong Song","Tuning the Reactivity of an Actor Ligand for Tandem CO2 and C-H Activations: From Spectator Metals to Metal-Free","Journal of the American Chemical Society","2013","135","","16175","16183","10.1021/ja4073832","","","0.71073","MoKα","","0.0749","0.0473","","","0.103","0.1177","","","","","","1.015","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121015","12.0531","0.0005","13.9592","0.0006","14.5517","0.0006","115.685","0.002","93.334","0.002","110.415","0.002","2003.32","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H51 Cu N4 O2 -","- C46 H51 Cu N4 O2 -","- C92 H102 Cu2 N8 O4 -","2","1","","Vincent T. Annibale; Daniel A. Dalessandro; Datong Song","Tuning the Reactivity of an Actor Ligand for Tandem CO2 and C-H Activations: From Spectator Metals to Metal-Free","Journal of the American Chemical Society","2013","135","","16175","16183","10.1021/ja4073832","","","0.71073","MoKα","","0.0695","0.0408","","","0.0901","0.1001","","","","","","1.025","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121016","18.5118","0.0008","16.7517","0.0008","50.634","0.003","90","","90.695","0.002","90","","15700.7","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H78 Cu2 N6 O2 -","- C66 H74.5 Cu2 N6 O2 -","- C528 H596 Cu16 N48 O16 -","8","1","","Vincent T. Annibale; Daniel A. Dalessandro; Datong Song","Tuning the Reactivity of an Actor Ligand for Tandem CO2 and C-H Activations: From Spectator Metals to Metal-Free","Journal of the American Chemical Society","2013","135","","16175","16183","10.1021/ja4073832","","","0.71073","MoKα","","0.1265","0.0835","","","0.2215","0.2397","","","","","","0.993","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121017","13.9342","0.0005","11.5883","0.0004","11.6742","0.0003","90","","106.907","0.001","90","","1803.6","0.1","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 -","- C12 H10 N2 -","- C96 H80 N16 -","8","2","","Vincent T. Annibale; Daniel A. Dalessandro; Datong Song","Tuning the Reactivity of an Actor Ligand for Tandem CO2 and C-H Activations: From Spectator Metals to Metal-Free","Journal of the American Chemical Society","2013","135","","16175","16183","10.1021/ja4073832","","","0.71073","MoKα","","0.0523","0.035","","","0.0967","0.1151","","","","","","1.123","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121018","9.3412","0.0006","10.1759","0.0008","10.8764","0.0008","90","","98.451","0.004","90","","1022.63","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","Vincent T. Annibale; Daniel A. Dalessandro; Datong Song","Tuning the Reactivity of an Actor Ligand for Tandem CO2 and C-H Activations: From Spectator Metals to Metal-Free","Journal of the American Chemical Society","2013","135","","16175","16183","10.1021/ja4073832","","","0.71073","MoKα","","0.0585","0.0398","","","0.0961","0.1045","","","","","","1.056","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121019","15.823","0.0011","15.9244","0.001","16.5291","0.0013","67.867","0.007","61.943","0.007","72.387","0.006","3364.3","0.5","173.01","0.1","173.01","0.1","","","","","","","","10","P -1","-P 1","2","","","","- C115 H96 Ag2 Au6 B4 Cl12 F16 N6 O6 P6 -","- C115 H84 Ag2 Au6 B4 Cl12 F16 N6 O6 P6 -","- C115 H84 Ag2 Au6 B4 Cl12 F16 N6 O6 P6 -","1","0.5","","Yang Yang; Xiao-Li Pei; Quan-Ming Wang","Postclustering Dynamic Covalent Modification for Chirality Control and Chiral Sensing","Journal of the American Chemical Society","2013","135","","16184","16191","10.1021/ja4075419","","","0.71073","MoKα","","0.0722","0.052","","","0.1329","0.1513","","","","","","1.043","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121020","15.3322","0.0011","15.4373","0.0009","16.4557","0.0011","82.767","0.005","64.786","0.007","73.405","0.006","3377","0.4","100","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C123 H124 Ag2 Au6 B4 Cl4 F16 N6 O12 P6 -","- C123 H124 Ag2 Au6 B4 Cl4 F16 N6 O12 P6 -","- C123 H124 Ag2 Au6 B4 Cl4 F16 N6 O12 P6 -","1","0.5","","Yang Yang; Xiao-Li Pei; Quan-Ming Wang","Postclustering Dynamic Covalent Modification for Chirality Control and Chiral Sensing","Journal of the American Chemical Society","2013","135","","16184","16191","10.1021/ja4075419","","","0.71073","MoKα","","0.0863","0.0594","","","0.1526","0.1799","","","","","","1.028","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121021","13.9185","0.001","14.5434","0.0018","18.3354","0.0018","106.857","0.01","94.398","0.007","115.063","0.01","3131.2","0.7","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H60 Ag Au3 B2 F8 N3 O7 P3 -","- C60 H60 Ag Au3 B2 F8 N3 O7 P3 -","- C120 H120 Ag2 Au6 B4 F16 N6 O14 P6 -","2","1","","Yang Yang; Xiao-Li Pei; Quan-Ming Wang","Postclustering Dynamic Covalent Modification for Chirality Control and Chiral Sensing","Journal of the American Chemical Society","2013","135","","16184","16191","10.1021/ja4075419","","","0.71073","MoKα","","0.0958","0.0599","","","0.1133","0.138","","","","","","1.041","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4121022","21.5456","0.0007","21.5456","0.0007","68.438","0.002","90","","90","","120","","27513.5","1.5","100","2","100","2","","","","","","","","8","R 3 2 :H","R 3 2""","155","","","","- C157 H138 Ag2 Au6 B4 F16 N12 P6 -","- C157 H138 Ag2 Au6 B4 F16 N12 P6 -","- C942 H828 Ag12 Au36 B24 F96 N72 P36 -","6","0.333333","","Yang Yang; Xiao-Li Pei; Quan-Ming Wang","Postclustering Dynamic Covalent Modification for Chirality Control and Chiral Sensing","Journal of the American Chemical Society","2013","135","","16184","16191","10.1021/ja4075419","","","1.54178","CuKα","","0.1391","0.084","","","0.2254","0.2796","","","","","","1.117","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121023","21.5216","0.0014","21.5216","0.0014","68.567","0.004","90","","90","","120","","27504","3","100","2","100","2","","","","","","","","8","R 3 2 :H","R 3 2""","155","","","","- C157 H138 Ag2 Au6 B4 F16 N12 P6 -","- C157 H138 Ag2 Au6 B4 F16 N12 P6 -","- C942 H828 Ag12 Au36 B24 F96 N72 P36 -","6","0.333333","","Yang Yang; Xiao-Li Pei; Quan-Ming Wang","Postclustering Dynamic Covalent Modification for Chirality Control and Chiral Sensing","Journal of the American Chemical Society","2013","135","","16184","16191","10.1021/ja4075419","","","1.54178","CuKα","","0.1231","0.0901","","","0.2504","0.2833","","","","","","1.153","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121024","14.9418","0.0003","18.9928","0.0004","28.0858","0.0005","90","","92.507","0.002","90","","7962.7","0.3","100","2","100","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C149 H128 Ag2 Au6 B4 Cl8 F16 N12 O2 P6 -","- C149 H114 Ag2 Au6 B4 Cl8 F16 N12 O2 P6 -","- C298 H228 Ag4 Au12 B8 Cl16 F32 N24 O4 P12 -","2","0.5","","Yang Yang; Xiao-Li Pei; Quan-Ming Wang","Postclustering Dynamic Covalent Modification for Chirality Control and Chiral Sensing","Journal of the American Chemical Society","2013","135","","16184","16191","10.1021/ja4075419","","","1.54178","CuKα","","0.0703","0.055","","","0.1602","0.1826","","","","","","0.892","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121025","20.186","0.002","21.558","0.002","12.0133","0.0012","90","","99.687","0.002","90","","5153.3","0.9","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","weixsb02","","","- C27 H35 I N2 Ni -","- C27 H35 I N2 Ni -","- C216 H280 I8 N16 Ni8 -","8","2","","Soumik Biswas; Daniel J. Weix","Mechanism and Selectivity in Nickel-Catalyzed Cross-Electrophile Coupling of Aryl Halides with Alkyl Halides","Journal of the American Chemical Society","2013","135","","16192","16197","10.1021/ja407589e","","","0.71073","MoKα","","0.0621","0.0366","","","0.0793","0.0896","","","","","","1.026","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121026","15.7624","0.0019","13.6449","0.0016","9.7734","0.0012","90","","90","","90","","2102","0.4","100","0.5","100","0.5","","","","","","","","5","P n m a","-P 2ac 2n","62","weixsb03","","","- C18 H24 I2 N2 Ni -","- C18 H24 I2 N2 Ni -","- C72 H96 I8 N8 Ni4 -","4","0.5","","Soumik Biswas; Daniel J. Weix","Mechanism and Selectivity in Nickel-Catalyzed Cross-Electrophile Coupling of Aryl Halides with Alkyl Halides","Journal of the American Chemical Society","2013","135","","16192","16197","10.1021/ja407589e","","","0.71073","MoKα","","0.0761","0.0411","","","0.0765","0.0867","","","","","","1.049","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121027","6.158","0.003","7.113","0.004","18.42","0.009","90","","102","0.015","90","","789.2","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MA-Mn-N3-173K","","","- C H6 Mn N10 -","- C H6 Mn N10 -","- C4 H24 Mn4 N40 -","4","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0516","0.0467","","","0.1438","0.1561","","","","","","1.091","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121028","6.199","0.002","7.18","0.003","18.379","0.007","90","","102.08","0.005","90","","799.9","0.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MnN3MA200","","","- C H6 Mn N10 -","- C H6 Mn N10 -","- C4 H24 Mn4 N40 -","4","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0706","0.0479","","","0.1264","0.1393","","","","","","1.06","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121029","6.203","0.002","7.199","0.003","18.345","0.007","90","","102.108","0.005","90","","801","0.5","230","2","230","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MnN3MA230","","","- C H6 Mn N10 -","- C H6 Mn N10 -","- C4 H24 Mn4 N40 -","4","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0824","0.055","","","0.1821","0.2048","","","","","","1.174","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121030","6.2207","0.0018","7.253","0.002","18.333","0.005","90","","102.178","0.005","90","","808.5","0.4","260","2","260","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MnN3MA260","","","- C H6 Mn N10 -","- C H6 Mn N10 -","- C4 H24 Mn4 N40 -","4","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0861","0.05","","","0.155","0.226","","","","","","1.16","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121031","9.0178","0.0016","7.3951","0.0013","12.575","0.002","90","","102.369","0.002","90","","819.1","0.2","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MnN3MA290","","","- C H6 Mn N10 -","- C H6 Mn N10 -","- C4 H24 Mn4 N40 -","4","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0504","0.0379","","","0.096","0.1052","","","","","","1.03","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121032","9.0165","0.0003","7.3957","0.0002","12.5731","0.0004","90","","102.397","0.001","90","","818.87","0.04","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MA-Mn-N3-298K","","","- C H6 Mn N10 -","- C H6 Mn N10 -","- C4 H24 Mn4 N40 -","4","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0341","0.0321","","","0.0771","0.0787","","","","","","1.073","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121033","9.023","0.003","7.405","0.002","12.58","0.004","90","","102.338","0.004","90","","821.1","0.4","320","2","320","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MnN3MA320","","","- C H6 Mn N10 -","- C H6 Mn N10 -","- C4 H24 Mn4 N40 -","4","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0578","0.042","","","0.1086","0.1198","","","","","","1.057","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121034","6.211","0.0018","10.058","0.003","7.165","0.002","90","","93.614","0.004","90","","446.7","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","DMA-Mn-N3-173K","","","- C2 H8 Mn N10 -","- C2 H8 Mn N10 -","- C4 H16 Mn2 N20 -","2","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0425","0.0407","","","0.1171","0.119","","","","","","1.166","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121035","12.1491","0.0019","12.284","0.002","12.216","0.002","90","","90","","90","","1823.1","0.5","323","2","323","2","","","","","","","","4","C m c a","-C 2ac 2","64","DMA-Mn-N3-323K","","","- C2 H8 Mn N10 -","- C2 H8 Mn N10 -","- C16 H64 Mn8 N80 -","8","","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0531","0.0486","","","0.1396","0.1451","","","","","","1.094","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121036","8.4136","0.0008","9.2474","0.0008","12.8074","0.0012","90","","105.969","0.001","90","","958.01","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MnN3TriMA173K","","","- C3 H10 Mn N10 -","- C3 H10 Mn N10 -","- C12 H40 Mn4 N40 -","4","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0233","0.0205","","","0.0561","0.0587","","","","","","1.068","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121037","8.4258","0.0007","9.271","0.0008","12.824","0.0011","90","","105.76","0.001","90","","964.1","0.14","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MnN3TriMA223K","","","- C3 H10 Mn N10 -","- C3 H10 Mn N10 -","- C12 H40 Mn4 N40 -","4","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0263","0.023","","","0.0594","0.0632","","","","","","1.12","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121038","8.4377","0.0008","9.3015","0.0008","12.848","0.0012","90","","105.566","0.001","90","","971.37","0.15","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MnN3TriMA273K","","","- C3 H10 Mn N10 -","- C3 H10 Mn N10 -","- C12 H40 Mn4 N40 -","4","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0333","0.0287","","","0.0736","0.079","","","","","","1.096","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121039","8.464","0.006","9.324","0.005","12.882","0.007","90","","105.466","0.014","90","","979.8","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TriMA-Mn-N3-298K","","","- C3 H10 Mn N10 -","- C3 H10 Mn N10 -","- C12 H40 Mn4 N40 -","4","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0359","0.0294","","","0.0844","0.0908","","","","","","1.071","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121040","8.4529","0.0013","9.3581","0.0014","12.884","0.002","90","","105.265","0.002","90","","983.2","0.3","330","2","330","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","MnN3TriMA330K","","","- C3 H10 Mn N10 -","- C3 H Mn N10 -","- C12 H4 Mn4 N40 -","4","0.5","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0314","0.028","","","0.085","0.0901","","","","","","1.168","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121041","8.502","0.016","9.431","0.017","12.93","0.02","90","","104.77","0.02","90","","1003","3","350","2","350","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","MnN3TriMA350K","","","- C3 H10 Mn N10 -","- C3 H Mn N10 -","- C12 H4 Mn4 N40 -","4","0.5","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.042","0.0378","","","0.1139","0.1199","","","","","","1.138","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121042","9.663","0.011","9.663","0.011","9.312","0.01","90","","90","","120","","753","1.5","360","2","360","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","MnN3TriMA360K","","","- C3 H10 Mn N10 -","- C3 Mn N10 -","- C9 Mn3 N30 -","3","0.0833333","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0305","0.0305","","","0.0812","0.0812","","","","","","1.202","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121043","9.6669","0.0017","9.6669","0.0017","9.3443","0.0017","90","","90","","120","","756.2","0.2","393","2","393","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","MnN3TriMA393K","","","- C3 H10 Mn N10 -","- C3 Mn N10 -","- C9 Mn3 N30 -","3","0.0833333","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0304","0.0304","","","0.0799","0.0799","","","","","","1.163","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121044","6.189","0.005","13.173","0.01","6.284","0.005","90","","90.129","0.011","90","","512.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","TMA-Mn-N3-173K","","","- C4 H12 Mn N10 -","- C4 H12 Mn N10 -","- C8 H24 Mn2 N20 -","2","0.5","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0484","0.0415","","","0.1473","0.1509","","","","","","1.293","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121045","6.4505","0.0017","6.4505","0.0017","6.4505","0.0017","90","","90","","90","","268.4","0.12","333","2","333","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","TMA-Mn-N3-333K","","","- C4 H12 Mn N10 -","- C3.96 Mn N10 -","- C3.96 Mn N10 -","1","0.0208333","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.03","0.03","","","0.0739","0.0739","","","","","","1.303","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121046","11.0392","0.0012","16.9437","0.0019","13.2777","0.0015","90","","111.336","0.002","90","","2313.3","0.4","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","jonyj08","","","- C19 H34 B Cl N6 P Rh -","- C19 H34 B Cl N6 P Rh -","- C76 H136 B4 Cl4 N24 P4 Rh4 -","4","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.1067","0.05","","","0.0839","0.101","","","","","","0.979","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121047","9.5771","0.0007","13.5751","0.001","21.7735","0.0016","90","","101.942","0.002","90","","2769.5","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","jonyj28","","","- C24 H41 B N6 P Rh -","- C24 H41 B N6 P Rh -","- C96 H164 B4 N24 P4 Rh4 -","4","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0986","0.0496","","","0.1011","0.1202","","","","","","1.008","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121048","15.1866","0.0009","14.0426","0.0008","26.4214","0.0015","90","","90","","90","","5634.6","0.6","100","0.1","100","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","jonyj27","","","- C23 H41 B N6 O0.26 P Rh Si -","- C23 H41 B N6 O0.256 P Rh Si -","- C184 H328 B8 N48 O2.048 P8 Rh8 Si8 -","8","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0917","0.0466","","","0.095","0.1147","","","","","","1.006","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121049","13.9414","0.0013","15.3529","0.0015","16.2538","0.0015","99.027","0.002","92.4","0.002","108.194","0.002","3248.8","0.5","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","jonyj24","","","- C26 H45 B N6 P Rh -","- C26 H45 B N6 P Rh -","- C104 H180 B4 N24 P4 Rh4 -","4","2","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.1095","0.0562","","","0.1116","0.127","","","","","","0.939","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121050","16.8292","0.0009","13.9712","0.0008","21.4798","0.0012","90","","90","","90","","5050.4","0.5","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","jonyj30","","","- C21 H32 B F3 N6 P Rh -","- C21 H32 B F3 N6 P Rh -","- C168 H256 B8 F24 N48 P8 Rh8 -","8","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0943","0.0551","","","0.1387","0.1662","","","","","","1.007","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121051","12.1163","0.0018","15.363","0.002","14.04","0.002","90","","100.178","0.003","90","","2572.3","0.6","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","jonyj25","","","- C21 H32 B F3 N6 P Rh -","- C21 H32 B F3 N6 P Rh -","- C84 H128 B4 F12 N24 P4 Rh4 -","4","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.1085","0.0595","","","0.1327","0.1549","","","","","","1.019","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121052","8.0904","0.0008","10.2083","0.0011","17.4412","0.0018","74.207","0.002","84.357","0.002","76.806","0.002","1348.5","0.2","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","jonyj23","","","- C26 H37 B N6 P Rh -","- C26 H37 B N6 P Rh -","- C52 H74 B2 N12 P2 Rh2 -","2","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0875","0.0487","","","0.0914","0.1059","","","","","","0.978","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121053","13.377","0.0018","13.806","0.0018","30.587","0.004","90","","90","","90","","5648.9","1.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","jonyj17","","","- C24 H42 B Br N6 P Rh -","- C24 H42 B Br N6 P Rh -","- C192 H336 B8 Br8 N48 P8 Rh8 -","8","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0912","0.0436","","","0.0813","0.0954","","","","","","1.006","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121054","13.189","0.003","19.265","0.004","13.884","0.003","90","","102.158","0.004","90","","3448.6","1.3","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","jonyj10","","","- C23 H42 B Br N6 O P Rh -","- C23 H42 B Br N6 O P Rh -","- C92 H168 B4 Br4 N24 O4 P4 Rh4 -","4","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0771","0.0436","","","0.0952","0.1042","","","","","","0.972","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121055","10.0609","0.0013","19.046","0.002","14.1549","0.0018","90","","98.96","0.002","90","","2679.3","0.6","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","jonyj16","","","- C21.67 H35.59 B Br Cl0.08 N6 P Rh -","- C21.672 H35.59 B Br Cl0.082 N6 P Rh -","- C86.688 H142.36 B4 Br4 Cl0.328 N24 P4 Rh4 -","4","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.1413","0.0614","","","0.1055","0.1314","","","","","","1.004","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121056","10.5968","0.0006","20.1506","0.0011","12.9951","0.0007","90","","111.081","0.001","90","","2589.2","0.2","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","jonyj18","","","- C21 H36 B Br N6 O P Rh -","- C21 H36 B Br N6 O P Rh -","- C84 H144 B4 Br4 N24 O4 P4 Rh4 -","4","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0657","0.0402","","","0.0956","0.1059","","","","","","1.035","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121057","8.2129","0.0006","10.7768","0.0009","19.1015","0.0015","75.071","0.001","82.528","0.002","72.3","0.001","1553.8","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","jonyj19","","","- C23 H42 B Cl N6 P Rh -","- C23 H42 B Cl N6 P Rh -","- C46 H84 B2 Cl2 N12 P2 Rh2 -","2","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.056","0.0406","","","0.0871","0.0926","","","","","","1.009","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121058","12.77","0.005","15.53","0.005","14.089","0.005","90","","110.42","0.006","90","","2618.5","1.6","100","0.1","100","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","jonyj20","","","- C23 H40 B Cl N6 P Rh -","- C23 H40 B Cl N6 P Rh -","- C92 H160 B4 Cl4 N24 P4 Rh4 -","4","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0809","0.0508","","","0.0853","0.0946","","","","","","1.011","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121059","11.1913","0.0008","19.7442","0.0014","12.701","0.0009","90","","110.943","0.001","90","","2621.1","0.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","jonyj29","","","- C20 H33 B Br F3 N6 P Rh -","- C20 H33 B Br F3 N6 P Rh -","- C80 H132 B4 Br4 F12 N24 P4 Rh4 -","4","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0729","0.0369","","","0.0761","0.0878","","","","","","1.009","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121060","11.0116","0.0013","16.6614","0.0019","13.1452","0.0015","90","","110.998","0.002","90","","2251.6","0.5","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","jonyj13","","","- C18 H32 B Cl N6 P Rh -","- C18 H31 B Cl N6 P Rh -","- C72 H124 B4 Cl4 N24 P4 Rh4 -","4","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.1047","0.0553","","","0.1295","0.1547","","","","","","1.013","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121061","11.328","0.002","12.653","0.003","17.643","0.004","90","","91.716","0.004","90","","2527.7","0.9","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","jonyj22","","","- C22 H37 B N6 P Rh -","- C22 H37 B N6 P Rh -","- C88 H148 B4 N24 P4 Rh4 -","4","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.1249","0.059","","","0.1045","0.1265","","","","","","0.977","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121062","9.8367","0.0004","16.3797","0.0008","27.5565","0.0014","90","","90.435","0.003","90","","4439.8","0.4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 Cl2 O12 P2 Pt -","- C42 H48 Cl2 O12 P2 Pt -","- C168 H192 Cl8 O48 P8 Pt4 -","4","1","","Alisha M. Bohnsack; Ilich A. Ibarra; Vladimir I. Bakhmutov; Vincent M. Lynch; Simon M. Humphrey","Rational Design of Porous Coordination Polymers Based on Bis(phosphine)MCl2 Complexes That Exhibit High-Temperature H2 Sorption and Chemical Reactivity","Journal of the American Chemical Society","2013","135","","16038","16041","10.1021/ja408508m","","","0.71073","MoKα","","0.1248","0.0912","","","0.1951","0.205","","","","","","1.162","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121063","23.9532","0.0019","25.725","0.002","14.8141","0.0012","90","","90","","90","","9128.4","1.3","100","2","100","","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C34 H24 Cl2 O10 P2 Pd Zn2 -","- C34 H24 Cl2 O10 P2 Pd Zn2 -","- C136 H96 Cl8 O40 P8 Pd4 Zn8 -","4","0.25","","Alisha M. Bohnsack; Ilich A. Ibarra; Vladimir I. Bakhmutov; Vincent M. Lynch; Simon M. Humphrey","Rational Design of Porous Coordination Polymers Based on Bis(phosphine)MCl2 Complexes That Exhibit High-Temperature H2 Sorption and Chemical Reactivity","Journal of the American Chemical Society","2013","135","","16038","16041","10.1021/ja408508m","","","0.71075","MoKα","","0.1738","0.1082","","","0.2722","0.318","","","","","","1.079","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121064","24.574","0.005","26.507","0.005","15.152","0.003","90","","90","","90","","9870","3","120","2","120","2","","","","","","","","7","I m m a","-I 2b 2","74","PCM-18","","","- C34 H24 Cl2 O10 P2 Pt Zn2 -","- C34 H24 Cl2 O10 P2 Pt Zn2 -","- C136 H96 Cl8 O40 P8 Pt4 Zn8 -","4","0.25","","Alisha M. Bohnsack; Ilich A. Ibarra; Vladimir I. Bakhmutov; Vincent M. Lynch; Simon M. Humphrey","Rational Design of Porous Coordination Polymers Based on Bis(phosphine)MCl2 Complexes That Exhibit High-Temperature H2 Sorption and Chemical Reactivity","Journal of the American Chemical Society","2013","135","","16038","16041","10.1021/ja408508m","","","0.710747","MoKα","","0.0729","0.0588","","","0.1523","0.1608","","","","","","1.077","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121065","17.7051","0.001","22.871","0.0013","23.0215","0.0012","92.678","0.005","90.246","0.004","108.429","0.005","8832.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C156 H167 Br4 N36 Ni8 O12 -","- C156 H167 Br4 N36 Ni8 O12 -","- C312 H334 Br8 N72 Ni16 O24 -","2","1","","Xiao-Ping Zhou; Yuan Wu; Dan Li","Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation","Journal of the American Chemical Society","2013","135","","16062","16065","10.1021/ja4092984","","","1.54178","CuKα","","0.1559","0.1146","","","0.3257","0.3749","","","","","","1.13","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121066","20.8988","0.0002","20.8988","0.0002","20.8988","0.0002","90","","90","","90","","9127.76","0.15","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C2.88 H2.88 Cl0.08 N0.72 Ni0.16 -","- C2.88 H2.88 Cl0.08 N0.72 Ni0.16 -","- C288 H288 Cl8 N72 Ni16 -","100","2.08333","","Xiao-Ping Zhou; Yuan Wu; Dan Li","Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation","Journal of the American Chemical Society","2013","135","","16062","16065","10.1021/ja4092984","","","1.54178","CuKα","","0.0384","0.0336","","","0.086","0.0886","","","","","","1.033","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121067","21.1338","0.0001","21.1338","0.0001","21.1338","0.0001","90","","90","","90","","9439.15","0.08","293","2","293","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C3.12 H2.88 Br0.08 N0.96 Ni0.16 O0.02 -","- C3.12 H2.88 Br0.08 N0.72 Ni0.16 -","- C312 H288 Br8 N72 Ni16 -","100","2.08333","","Xiao-Ping Zhou; Yuan Wu; Dan Li","Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation","Journal of the American Chemical Society","2013","135","","16062","16065","10.1021/ja4092984","","","1.54178","CuKα","","0.0573","0.0539","","","0.1364","0.1418","","","","","","1.248","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121068","36.4995","0.001","19.4684","0.0003","29.9799","0.0014","90","","119.849","0.004","90","","18477.2","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C144 H132 Br16 N36 Ni8 -","- C144 H132 Br16 N36 Ni8 -","- C576 H528 Br64 N144 Ni32 -","4","0.5","","Xiao-Ping Zhou; Yuan Wu; Dan Li","Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation","Journal of the American Chemical Society","2013","135","","16062","16065","10.1021/ja4092984","","","1.54178","CuKα","","0.0885","0.0823","","","0.2474","0.2545","","","","","","1.035","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121069","17.2136","0.0004","17.2136","0.0004","32.7939","0.0019","90","","90","","90","","9717.1","0.6","293","2","293","2","","","","","","","","6","P 4 n c","P 4 -2n","104","","","","- C2.8 H3.73 Br0.08 N1.4 Ni0.27 O0.06 -","- C2.79612 H3.72816 Br0.0776699 N1.39806 Ni0.271845 O0.0582524 -","- C288 H384 Br8 N144 Ni28 O6 -","103","12.875","","Xiao-Ping Zhou; Yuan Wu; Dan Li","Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation","Journal of the American Chemical Society","2013","135","","16062","16065","10.1021/ja4092984","","","1.54178","CuKα","","0.072","0.0661","","","0.1864","0.1997","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121070","29.3144","0.0002","29.3144","0.0002","38.4099","0.0004","90","","90","","90","","33006.9","0.5","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C264 H228 N76 Ni14 O12 -","- C264 H228 N76 Ni14 O12 -","- C1056 H912 N304 Ni56 O48 -","4","0.25","","Xiao-Ping Zhou; Yuan Wu; Dan Li","Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation","Journal of the American Chemical Society","2013","135","","16062","16065","10.1021/ja4092984","","","1.54178","CuKα","","0.1172","0.1022","","","0.2982","0.312","","","","","","1.071","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121071","16.9957","0.0001","16.9957","0.0001","32.7949","0.0005","90","","90","","90","","9472.93","0.16","100","2","100","2","","","","","","","","4","P 4 n c","P 4 -2n","104","","","","- C144 H192 N72 Ni14 -","- C144 H192 N72 Ni14 -","- C288 H384 N144 Ni28 -","2","0.25","","Xiao-Ping Zhou; Yuan Wu; Dan Li","Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation","Journal of the American Chemical Society","2013","135","","16062","16065","10.1021/ja4092984","","","1.54178","CuKα","","0.0575","0.0424","","","0.1061","0.1172","","","","","","1.06","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121072","26.9825","0.0002","26.9825","0.0002","24.957","0.0003","90","","90","","90","","18170.1","0.3","100","2","100","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C312 H336 N72 Ni14 O24 -","- C312 H336 N72 Ni14 O24 -","- C624 H672 N144 Ni28 O48 -","2","0.25","","Xiao-Ping Zhou; Yuan Wu; Dan Li","Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation","Journal of the American Chemical Society","2013","135","","16062","16065","10.1021/ja4092984","","","1.54178","CuKα","","0.099","0.0756","","","0.1899","0.2058","","","","","","1.006","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121073","11.9135","0.0006","10.1334","0.0007","13.9442","0.0006","90","","99.587","0.004","90","","1659.89","0.16","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C1.81 H1.94 Ag0.13 F0.77 N0.39 O0.13 P0.13 -","- C1.80645 H1.93548 Ag0.129032 F0.774194 N0.387097 O0.129032 P0.129032 -","- C56 H60 Ag4 F24 N12 O4 P4 -","31","7.75","","Xiao-Ping Zhou; Yuan Wu; Dan Li","Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation","Journal of the American Chemical Society","2013","135","","16062","16065","10.1021/ja4092984","","","0.71073","MoKα","","0.1064","0.0567","","","0.1125","0.1343","","","","","","1.032","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121074","10.9699","0.0013","11.6213","0.0014","19.956","0.002","101.521","0.0013","95.0592","0.0013","110.959","0.0012","2292.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H72 B Na O6 Si3 -","- C41 H72 B Na O6 Si3 -","- C82 H144 B2 Na2 O12 Si6 -","2","1","","Hui Li; Adelia J. A. Aquino; David B. Cordes; Fernando Hung-Low; William L. Hase; Clemens Krempner","A Zwitterionic Carbanion Frustrated by Boranes - Dihydrogen Cleavage with Weak Lewis Acids via an ""Inverse"" Frustrated Lewis Pair Approach","Journal of the American Chemical Society","2013","135","","16066","16069","10.1021/ja409330h","","","0.71073","MoKα","","0.0587","0.0461","","","0.114","0.1221","","","","","","1.024","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121075","15.31","0.004","15.31","0.004","9.155","0.002","90","","90","","120","","1858.4","0.8","150","2","150","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C16 H39 Na O6 Si3 -","- C16 H39 Na O6 Si3 -","- C48 H117 Na3 O18 Si9 -","3","0.333333","","Hui Li; Adelia J. A. Aquino; David B. Cordes; Fernando Hung-Low; William L. Hase; Clemens Krempner","A Zwitterionic Carbanion Frustrated by Boranes - Dihydrogen Cleavage with Weak Lewis Acids via an ""Inverse"" Frustrated Lewis Pair Approach","Journal of the American Chemical Society","2013","135","","16066","16069","10.1021/ja409330h","","","0.71073","MoKα","","0.0707","0.0643","","","0.1755","0.1805","","","","","","1.105","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121076","12.568","0.003","12.568","0.003","15.851","0.003","90","","90","","120","","2168.3","0.8","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C38 H64 B Na O7 Si3 -","- C34 H55.202 B Na O6 Si3 -","- C68 H110.404 B2 Na2 O12 Si6 -","2","0.333333","","Hui Li; Adelia J. A. Aquino; David B. Cordes; Fernando Hung-Low; William L. Hase; Clemens Krempner","A Zwitterionic Carbanion Frustrated by Boranes - Dihydrogen Cleavage with Weak Lewis Acids via an ""Inverse"" Frustrated Lewis Pair Approach","Journal of the American Chemical Society","2013","135","","16066","16069","10.1021/ja409330h","","","0.71073","MoKα","","0.1033","0.0811","","","0.2262","0.2442","","","","","","1.089","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121077","31.2188","0.0014","17.1001","0.0007","23.3745","0.001","90","","90.371","0.001","90","","12478.1","0.9","90","","90","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C130 H138 Au8 N2 O12 P8 -","- C130 H138 Au8 N2 O12 P8 -","- C520 H552 Au32 N8 O48 P32 -","4","0.5","","Naoki Kobayashi; Yutaro Kamei; Yukatsu Shichibu; Katsuaki Konishi","Protonation-Induced Chromism of Pyridylethynyl-Appended [core+exo]-Type Au8Clusters. Resonance-Coupled Electronic Perturbation through π-Conjugated Group","Journal of the American Chemical Society","2013","135","","16078","16081","10.1021/ja4099092","","","0.71073","MoKα","","0.0459","0.0319","","","0.0881","0.1042","","","","","","1.141","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121078","12.07727","0.00016","12.76516","0.00019","18.5857","0.0002","107.846","0.0012","94.4674","0.001","91.1323","0.0011","2716.29","0.06","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H50 B Cl3 Cu F20 N10 -","- C46 H50 B Cl3 Cu F20 N10 -","- C92 H100 B2 Cl6 Cu2 F40 N20 -","2","1","","Ryan L. Peterson; Jake W. Ginsbach; Ryan E. Cowley; Munzarin F. Qayyum; Richard A. Himes; Maxime A. Siegler; Cathy D. Moore; Britt Hedman; Keith O. Hodgson; Shunichi Fukuzumi; Edward I. Solomon; Kenneth D. Karlin","Stepwise Protonation and Electron-Transfer Reduction of a Primary Copper-Dioxygen Adduct","Journal of the American Chemical Society","2013","135","","16454","16467","10.1021/ja4065377","","","0.71073","MoKα","","0.0392","0.0313","","","0.0772","0.0804","","","","","","1.048","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121079","13.0739","0.0008","11.0098","0.0007","15.4761","0.0009","90","","95.3709","0.0018","90","","2217.9","0.2","173","","173","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C30 H36 -","- C30 H36 -","- C120 H144 -","4","1","","Koji Yamamoto; Naohiro Oyamada; Sheng Xia; Yuta Kobayashi; Masahiko Yamaguchi; Hiroaki Maeda; Hiroshi Nishihara; Tadafumi Uchimaru; Eunsang Kwon","Equatorenes: Synthesis and Properties of Chiral Naphthalene, Phenanthrene, Chrysene, and Pyrene Possessing Bis(1-adamantyl) Groups at the Peri-position","Journal of the American Chemical Society","2013","135","","16526","16532","10.1021/ja407800e","","","0.71075","","","0.1222","0.0716","","","0.1776","0.2659","","","","","","1.104","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121080","6.8945","0.0004","29.5705","0.0016","12.0622","0.0008","90","","101.585","0.0018","90","","2409.1","0.2","173","","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 -","- C34 H38 -","- C136 H152 -","4","1","","Koji Yamamoto; Naohiro Oyamada; Sheng Xia; Yuta Kobayashi; Masahiko Yamaguchi; Hiroaki Maeda; Hiroshi Nishihara; Tadafumi Uchimaru; Eunsang Kwon","Equatorenes: Synthesis and Properties of Chiral Naphthalene, Phenanthrene, Chrysene, and Pyrene Possessing Bis(1-adamantyl) Groups at the Peri-position","Journal of the American Chemical Society","2013","135","","16526","16532","10.1021/ja407800e","","","0.71075","","","0.1692","0.0822","","","0.1924","0.2693","","","","","","1.028","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121081","10.442","0.009","30.25","0.03","10.719","0.009","90","","113.304","0.01","90","","3110","5","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 O0.5 -","- C42 H48 O0.5 -","- C168 H192 O2 -","4","1","","Koji Yamamoto; Naohiro Oyamada; Sheng Xia; Yuta Kobayashi; Masahiko Yamaguchi; Hiroaki Maeda; Hiroshi Nishihara; Tadafumi Uchimaru; Eunsang Kwon","Equatorenes: Synthesis and Properties of Chiral Naphthalene, Phenanthrene, Chrysene, and Pyrene Possessing Bis(1-adamantyl) Groups at the Peri-position","Journal of the American Chemical Society","2013","135","","16526","16532","10.1021/ja407800e","","","0.71075","MoKα","","","0.0646","","","","0.1786","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121082","12.5764","0.0013","15.3973","0.0016","22.439","0.002","73.12","0.005","78.356","0.006","67.336","0.005","3816.9","0.7","150","","150","","","","","","","","","2","P -1","-P 1","2","","","","- C36 H38 -","- C36 H38 -","- C216 H228 -","6","3","","Koji Yamamoto; Naohiro Oyamada; Sheng Xia; Yuta Kobayashi; Masahiko Yamaguchi; Hiroaki Maeda; Hiroshi Nishihara; Tadafumi Uchimaru; Eunsang Kwon","Equatorenes: Synthesis and Properties of Chiral Naphthalene, Phenanthrene, Chrysene, and Pyrene Possessing Bis(1-adamantyl) Groups at the Peri-position","Journal of the American Chemical Society","2013","135","","16526","16532","10.1021/ja407800e","","","0.71075","","","0.1242","0.0984","","","0.1981","0.2082","","","","","","1.209","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121083","10.4189","0.001","35.829","0.003","13.6768","0.0014","90","","90.679","0.003","90","","5105.2","0.8","173","","173","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C35 H40 O2 -","- C35 H39.5 O2 -","- C280 H316 O16 -","8","2","","Koji Yamamoto; Naohiro Oyamada; Sheng Xia; Yuta Kobayashi; Masahiko Yamaguchi; Hiroaki Maeda; Hiroshi Nishihara; Tadafumi Uchimaru; Eunsang Kwon","Equatorenes: Synthesis and Properties of Chiral Naphthalene, Phenanthrene, Chrysene, and Pyrene Possessing Bis(1-adamantyl) Groups at the Peri-position","Journal of the American Chemical Society","2013","135","","16526","16532","10.1021/ja407800e","","","0.71075","","","0.1782","0.0898","","","0.2159","0.2711","","","","","","1.046","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121084","24.1694","0.0015","11.6266","0.0009","15.5172","0.0009","90","","102.859","0.004","90","","4251.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H47 F6 Fe N3 O4 P -","- C45 H47 F6 Fe N3 O4 P -","- C180 H188 F24 Fe4 N12 O16 P4 -","4","1","","Ashley B. Biernesser; Bo Li; Jeffery A. Byers","Redox-Controlled Polymerization of Lactide Catalyzed by Bis(imino)pyridine Iron Bis(alkoxide) Complexes","Journal of the American Chemical Society","2013","135","","16553","16560","10.1021/ja407920d","","","1.54178","CuKα","","0.097","0.0571","","","0.125","0.1449","","","","","","0.993","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121085","32.01","0.03","5.88","0.005","17.369","0.014","90","","102.83","0.03","90","","3188","5","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C160 H160 N16 O8 -","8","1","","Hanmo Zhang; E. Ben Hay; Steven J. Geib; Dennis P. Curran","Radical Cyclizations of Cyclic Ene Sulfonamides Occur with β-Elimination of Sulfonyl Radicals to Form Polycyclic Imines","Journal of the American Chemical Society","2013","135","","16610","16617","10.1021/ja408387d","","","0.71073","MoKα","","0.0965","0.0621","","","0.1471","0.1696","","","","","","0.997","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121086","5.4258","0.0001","8.1817","0.0001","43.389","0.003","90","","90","","90","","1926.14","0.14","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 O2 -","- C25 H26 O2 -","- C100 H104 O8 -","4","1","","Hien-Quang Do; E. R. R. Chandrashekar; Gregory C. Fu","Nickel/Bis(oxazoline)-Catalyzed Asymmetric Negishi Arylations of Racemic Secondary Benzylic Electrophiles to Generate Enantioenriched 1,1-Diarylalkanes","Journal of the American Chemical Society","2013","135","","16288","16291","10.1021/ja408561b","","","1.54178","CuKα","","0.036","0.0352","","","0.0945","0.0949","","","","","","1.144","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121087","13.043","0.003","19.407","0.008","19.475","0.005","115.596","0.004","95.958","0.003","101.551","0.004","4254","2","188","2","188","2","","","","","","","","4","P -1","-P 1","2","cesium silicon tridecaniobate dimer","","","- Cs18 Nb26 O120 Si2 -","- Cs18 Nb26 O120 Si2 -","- Cs18 Nb26 O120 Si2 -","1","0.5","","Yu Hou; Lev N. Zakharov; May Nyman","Observing Assembly of Complex Inorganic Materials from Polyoxometalate Building Blocks","Journal of the American Chemical Society","2013","135","","16651","16657","10.1021/ja4086484","","","0.71073","MoKα","","0.2561","0.1761","","","0.4531","0.4955","","","","","","1.513","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121088","28.015","0.0006","28.015","0.0006","28.015","0.0006","90","","90","","90","","21987.3","0.8","180","2","180","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","cesium germanium tridecaniobate","","","- Cs85 Ge8 Nb104 O544 -","- Cs85.024 Ge8 Nb104.16 O544.16 -","- Cs85.024 Ge8 Nb104.16 O544.16 -","1","0.00520833","","Yu Hou; Lev N. Zakharov; May Nyman","Observing Assembly of Complex Inorganic Materials from Polyoxometalate Building Blocks","Journal of the American Chemical Society","2013","135","","16651","16657","10.1021/ja4086484","","","0.71073","MoKα","","0.0857","0.0708","","","0.214","0.2387","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121089","13.849","0.0016","13.849","0.0016","19.84","0.002","90","","90","","120","","3295.4","0.6","180","2","180","2","","","","","","","","4","P -3","-P 3","147","rubidium germanium tridecaniobate","","","- Ge Nb13 O60 Rb13 -","- Ge Nb12.99 O60.49 Rb13 -","- Ge2 Nb25.98 O120.98 Rb26 -","2","0.333333","","Yu Hou; Lev N. Zakharov; May Nyman","Observing Assembly of Complex Inorganic Materials from Polyoxometalate Building Blocks","Journal of the American Chemical Society","2013","135","","16651","16657","10.1021/ja4086484","","","0.71073","MoKα","","0.0599","0.0489","","","0.129","0.1383","","","","","","1.065","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121090","8.0576","0.0018","9.927","0.002","21.084","0.005","90","","93.986","0.003","90","","1682.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17.2 N O3.1 Ru -","- C19 H17 N O3.1 Ru -","- C76 H68 N4 O12.4 Ru4 -","4","1","","Boyoung Y. Park; T. Patrick Montgomery; Victoria J. Garza; Michael J. Krische","Ruthenium Catalyzed Hydrohydroxyalkylation of Isoprene with Heteroaromatic Secondary Alcohols: Isolation and Reversible Formation of the Putative Metallacycle Intermediate","Journal of the American Chemical Society","2013","135","","16320","16323","10.1021/ja4087193","","","0.71073","MoKα","","0.0279","0.0246","","","0.0583","0.0604","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121091","4.77472","0.00007","13.9792","0.0004","8.0718","0.0004","90","","90","","90","","538.77","0.03","298","","298","2","","","","","","","","3","P m m a","-P 2a 2a","51","Lithium calcium diazenide","Lithium pernitride","","- Ca3 Li2 N6 -","- Ca3 Li2 N6 -","- Ca12 Li8 N24 -","4","0.5","","Sebastian B. Schneider; Markus Seibald; Volker L. Deringer; Ralf P. Stoffel; Rainer Frankovsky; Gina M. Friederichs; Henryk Laqua; Viola Duppel; Gunnar Jeschke; Richard Dronskowski; Wolfgang Schnick","High-Pressure Synthesis and Characterization of Li2Ca3[N2]3 - An Uncommon Metallic Diazenide with [N2]2- Ions","Journal of the American Chemical Society","2013","135","","16668","16679","10.1021/ja408816t","powder diffraction","x-ray","1.5406","CuKα1","","0.03787","","","","","","","","1.644","","","","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121092","15.0973","0.0009","12.2302","0.0007","18.9196","0.001","90","","90.396","0.002","90","","3493.3","0.3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H15 F3 I N O2 S -","- C16 H15 F3 I N O2 S -","- C128 H120 F24 I8 N8 O16 S8 -","8","4","","Ling Chu; Xiao-Chen Wang; Curtis E. Moore; Arnold L. Rheingold; Jin-Quan Yu","Pd-Catalyzed Enantioselective C-H Iodination: Asymmetric Synthesis of Chiral Diarylmethylamines","Journal of the American Chemical Society","2013","135","","16344","16347","10.1021/ja408864c","","x-ray","0.71073","MoKα","K-L~3~","0.1026","0.0764","","","0.2088","0.2247","","","","","","1.087","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121093","15.668","0.005","15.88","0.005","17.032","0.005","99.207","0.005","110.424","0.005","116.852","0.005","3277.5","1.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H52 Dy F9 N4 O6 S9 -","- C58 H52 Dy F9 N4 O6 S9 -","- C116 H104 Dy2 F18 N8 O12 S18 -","2","1","","Tamyris T. da Cunha; Julie Jung; Marie-Emmanuelle Boulon; Giulio Campo; Fabrice Pointillart; Cynthia L. M. Pereira; Boris Le Guennic; Olivier Cador; Kevin Bernot; Francesco Pineider; Stéphane Golhen; Lahcène Ouahab","Magnetic Poles Determinations and Robustness of Memory Effect upon Solubilization in a DyIII-Based Single Ion Magnet","Journal of the American Chemical Society","2013","135","","16332","16335","10.1021/ja4089956","","","0.71073","MoKα","","0.0935","0.0537","","","0.1388","0.1757","","","","","","1.049","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121094","10.3506","0.0012","16.2481","0.0018","12.9422","0.0015","90","","107.794","0.002","90","","2072.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","06276","","","- C24 H31 N3 O4 -","- C24 H31 N3 O4 -","- C96 H124 N12 O16 -","4","1","","Barry M. Trost; Dustin A. Bringley; Ting Zhang; Nicolai Cramer","Rapid Access to Spirocyclic Oxindole Alkaloids: Application of the Asymmetric Palladium-Catalyzed [3 + 2] Trimethylenemethane Cycloaddition","Journal of the American Chemical Society","2013","135","","16720","16735","10.1021/ja409013m","","","0.71073","MoKα","","0.0777","0.0458","","","0.1081","0.1282","","","","","","1.007","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121095","30.17","","30.17","","7.281","","90","","90","","90","","6627.38","","89","2","89","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","COF-320","","","- C53 H36 N4 -","- C53 H36 N4 -","- C212 H144 N16 -","4","0.25","","Yue-Biao Zhang; Jie Su; Hiroyasu Furukawa; Yifeng Yun; Felipe Gándara; Adam Duong; Xiaodong Zou; Omar M. Yaghi","Single-Crystal Structure of a Covalent Organic Framework","Journal of the American Chemical Society","2013","135","","16336","16339","10.1021/ja409033p","","","0.0251","Electrons","","0.3821","0.31","","","0.6386","0.6677","","","","","","1.174","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121096","28.7128","0.0012","28.7128","0.0012","7.4609","0.0004","90","","90","","90","","6151","0.5","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","Molecular Analogue of COF-320","","","- C78 H58 Cl2 N4 -","- C78 H58 Cl2 N4 -","- C312 H232 Cl8 N16 -","4","0.25","","Yue-Biao Zhang; Jie Su; Hiroyasu Furukawa; Yifeng Yun; Felipe Gándara; Adam Duong; Xiaodong Zou; Omar M. Yaghi","Single-Crystal Structure of a Covalent Organic Framework","Journal of the American Chemical Society","2013","135","","16336","16339","10.1021/ja409033p","","","1.54178","CuKα","","0.0736","0.0474","","","0.1193","0.1343","","","","","","1.059","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121097","22.8761","0.0001","22.8761","0.0001","14.2626","0.0001","90","","90","","120","","6463.88","0.06","150","","150","","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C38 H34 F6 N3 O3 P S -","- C38 H34 F6 N3 O3 P S -","- C228 H204 F36 N18 O18 P6 S6 -","6","1","","Marta G. Núñez; Alistair J. M. Farley; Darren J. Dixon","Bifunctional Iminophosphorane Organocatalysts for Enantioselective Synthesis: Application to the Ketimine Nitro-Mannich Reaction","Journal of the American Chemical Society","2013","135","","16348","16351","10.1021/ja409121s","","","0.71073","MoKα","","0.0463","0.042","","0.106","0.102","0.106","","","","","","0.9059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121098","12.8838","0.0001","19.4546","0.0002","15.0458","0.0002","90","","102.582","0.0004","90","","3680.66","0.07","150","","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H38 F6 N3 O3 P S -","- C36 H38 F6 N3 O3 P S -","- C144 H152 F24 N12 O12 P4 S4 -","4","2","","Marta G. Núñez; Alistair J. M. Farley; Darren J. Dixon","Bifunctional Iminophosphorane Organocatalysts for Enantioselective Synthesis: Application to the Ketimine Nitro-Mannich Reaction","Journal of the American Chemical Society","2013","135","","16348","16351","10.1021/ja409121s","","","0.71073","MoKα","","0.0489","0.0391","","0.0891","0.0841","0.0891","","","","","","0.9649","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121099","10.48","0.001","8.5662","0.0008","11.708","0.001","90","","97.232","0.003","90","","1042.71","0.17","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H21 Br N2 O -","- C24 H21 Br N2 O -","- C48 H42 Br2 N4 O2 -","2","1","","Pradip Maity; Ryan P. Pemberton; Dean J. Tantillo; Uttam K. Tambar","Brønsted Acid Catalyzed Enantioselective Indole Aza-Claisen Rearrangement Mediated by an Arene CH-O Interaction","Journal of the American Chemical Society","2013","135","","16380","16383","10.1021/ja4095473","","","0.71073","MoKα","","0.0368","0.0293","","","0.0715","0.0744","","","","","","0.893","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121100","6.1739","0.0009","10.7483","0.0015","33.914","0.005","90","","91.104","0.002","90","","2250.1","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F2 N2 S3 Si2 -","- C20 H22 F2 N2 S3 Si2 -","- C80 H88 F8 N8 S12 Si8 -","4","1","","Junxiang Zhang; Wayne Chen; Anthony J. Rojas; Evgheni V. Jucov; Tatiana V. Timofeeva; Timothy C. Parker; Stephen Barlow; Seth R. Marder","Controllable Direct Arylation: Fast Route to Symmetrical and Unsymmetrical 4,7-Diaryl-5,6-difluoro-2,1,3-benzothiadiazole Derivatives for Organic Optoelectronic Materials","Journal of the American Chemical Society","2013","135","","16376","16379","10.1021/ja4095878","","","0.71073","MoKα","","0.0566","0.0555","","","0.1598","0.161","","","","","","1.199","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121101","35.83","0.012","25.083","0.006","27.462","0.008","90","","136.7","0.005","90","","16927","9","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H67.5 Ni O2 P2 -","- C42.5 H67.75 Ni O2 P2 -","- C680 H1084 Ni16 O32 P32 -","16","2","","Kei Muto; Junichiro Yamaguchi; Aiwen Lei; Kenichiro Itami","Isolation, Structure, and Reactivity of an Arylnickel(II) Pivalate Complex in Catalytic C-H/C-O Biaryl Coupling","Journal of the American Chemical Society","2013","135","","16384","16387","10.1021/ja409803x","","","0.7107","MoKα","","0.1166","0.0926","","","0.2029","0.2198","","","","","","1.117","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121102","15.4882","0.0008","19.7919","0.0011","24.4546","0.0014","90","","90","","90","","7496.3","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C66 H98 Li6 N8 -","- C66 H98 Li6 N8 -","- C264 H392 Li24 N32 -","4","1","","Yun Ma; Craig E. Stivala; Ashley M. Wright; Trevor Hayton; Jun Liang; Ivan Keresztes; Emil Lobkovsky; David B. Collum; Armen Zakarian","Enediolate-Dilithium Amide Mixed Aggregates in the Enantioselective Alkylation of Arylacetic Acids: Structural Studies and a Stereochemical Model","Journal of the American Chemical Society","2013","135","","16853","16864","10.1021/ja403076u","","","0.71073","MoKα","","0.0624","0.0419","","","0.095","0.0995","","","","","","0.89","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121103","21.1765","0.0015","23.7194","0.0017","24.744","0.002","90","","90","","90","","12428.8","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C90 H128 Li8 N8 O8 -","- C90 H128 Li8 N8 O8 -","- C360 H512 Li32 N32 O32 -","4","1","","Yun Ma; Craig E. Stivala; Ashley M. Wright; Trevor Hayton; Jun Liang; Ivan Keresztes; Emil Lobkovsky; David B. Collum; Armen Zakarian","Enediolate-Dilithium Amide Mixed Aggregates in the Enantioselective Alkylation of Arylacetic Acids: Structural Studies and a Stereochemical Model","Journal of the American Chemical Society","2013","135","","16853","16864","10.1021/ja403076u","","","0.71073","MoKα","","0.1206","0.0689","","","0.1657","0.1836","","","","","","0.893","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121104","10.0004","0.0012","16.893","0.002","17.014","0.002","112.331","0.002","106.694","0.002","97.457","0.002","2452.3","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H76 O15 -","- C51 H76 O15 -","- C102 H152 O30 -","2","1","","Harshita Kumari; Loredana Erra; Alicia C. Webb; Prashant Bhatt; Charles L. Barnes; Carol A. Deakyne; John E. Adams; Leonard J. Barbour; Jerry L. Atwood","Pyrogallol[4]arenes as Frustrated Organic Solids","Journal of the American Chemical Society","2013","135","","16963","16967","10.1021/ja406643b","","","0.71073","MoKα","","0.0801","0.0507","","","0.1281","0.1452","","","","","","1.047","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121105","22.826","0.004","12.779","0.002","18.578","0.003","90","","109.442","0.003","90","","5110.1","1.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C51 H78 O16 -","- C51 H78 O16 -","- C204 H312 O64 -","4","1","","Harshita Kumari; Loredana Erra; Alicia C. Webb; Prashant Bhatt; Charles L. Barnes; Carol A. Deakyne; John E. Adams; Leonard J. Barbour; Jerry L. Atwood","Pyrogallol[4]arenes as Frustrated Organic Solids","Journal of the American Chemical Society","2013","135","","16963","16967","10.1021/ja406643b","","","0.71073","MoKα","","0.1471","0.0793","","","0.1937","0.2258","","","","","","1.028","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121106","12.641","0.007","9.564","0.005","20.25","0.01","90","","107.43","0.02","90","","2336","2","100","2","100","2","","","","","","","synthetic","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Fe2 O10 S2 -","- C19 H16 Fe2 O10 S2 -","- C76 H64 Fe8 O40 S8 -","4","1","","Sonja Pullen; Honghan Fei; Andreas Orthaber; Seth M. Cohen; Sascha Ott","Enhanced Photochemical Hydrogen Production by a Molecular Diiron Catalyst Incorporated into a Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","16997","17003","10.1021/ja407176p","","","0.71073","MoKα","","0.1738","0.1485","","","0.3283","0.3398","","","","","","1.243","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121107","14.6158","0.0002","12.1609","0.0002","16.1492","0.0002","90","","101.062","0.001","90","","2817.05","0.07","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H43 Cl N O2 P2 Re -","- C25 H43 Cl N O2 P2 Re -","- C100 H172 Cl4 N4 O8 P8 Re4 -","4","1","","Matthias Vogt; Alexander Nerush; Mark A. Iron; Gregory Leitus; Yael Diskin-Posner; Linda J. W. Shimon; Yehoshoa Ben-David; David Milstein","Activation of Nitriles by Metal Ligand Cooperation. Reversible Formation of Ketimido- and Enamido-Rhenium PNP Pincer Complexes and Relevance to Catalytic Design","Journal of the American Chemical Society","2013","135","","17004","17018","10.1021/ja4071859","","","0.71073","MoKα","","0.0398","0.0316","","","0.083","0.0886","","","","","","1.036","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121108","11.3342","0.0003","15.5145","0.0003","30.5847","0.0008","90","","90","","90","","5378.1","0.2","120","2","120","2","","","","","","","","6","P n a a","-P 2ac 2bc","56","","","","- C25 H42 N O2 P2 Re -","- C25 H42 N O2 P2 Re -","- C200 H336 N8 O16 P16 Re8 -","8","1","","Matthias Vogt; Alexander Nerush; Mark A. Iron; Gregory Leitus; Yael Diskin-Posner; Linda J. W. Shimon; Yehoshoa Ben-David; David Milstein","Activation of Nitriles by Metal Ligand Cooperation. Reversible Formation of Ketimido- and Enamido-Rhenium PNP Pincer Complexes and Relevance to Catalytic Design","Journal of the American Chemical Society","2013","135","","17004","17018","10.1021/ja4071859","","","0.71073","MoKα","","0.0793","0.0587","","","0.1404","0.1506","","","","","","1.065","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121109","8.9108","0.0001","18.0558","0.0004","20.938","0.0004","90","","106.449","0.0014","90","","3230.87","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H47 N2 O2 P2 Re -","- C32 H47 N2 O2 P2 Re -","- C128 H188 N8 O8 P8 Re4 -","4","1","","Matthias Vogt; Alexander Nerush; Mark A. Iron; Gregory Leitus; Yael Diskin-Posner; Linda J. W. Shimon; Yehoshoa Ben-David; David Milstein","Activation of Nitriles by Metal Ligand Cooperation. Reversible Formation of Ketimido- and Enamido-Rhenium PNP Pincer Complexes and Relevance to Catalytic Design","Journal of the American Chemical Society","2013","135","","17004","17018","10.1021/ja4071859","","","0.71073","MoKα","","0.0663","0.0434","","","0.0997","0.1125","","","","","","1.041","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121110","12.4882","0.0002","22.718","0.0004","13.587","0.0002","90","","104.861","0.001","90","","3725.79","0.11","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H60 N3 O2 P2 Re -","- C35 H60 N3 O2 P2 Re -","- C140 H240 N12 O8 P8 Re4 -","4","1","","Matthias Vogt; Alexander Nerush; Mark A. Iron; Gregory Leitus; Yael Diskin-Posner; Linda J. W. Shimon; Yehoshoa Ben-David; David Milstein","Activation of Nitriles by Metal Ligand Cooperation. Reversible Formation of Ketimido- and Enamido-Rhenium PNP Pincer Complexes and Relevance to Catalytic Design","Journal of the American Chemical Society","2013","135","","17004","17018","10.1021/ja4071859","","","0.71073","MoKα","","0.0749","0.0479","","","0.1185","0.1385","","","","","","1.125","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121111","13.118","0.003","14.918","0.003","16.915","0.003","90","","99.27","0.03","90","","3266.9","1.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H106 N4 O4 P4 Re2 -","- C61 H106 N4 O4 P4 Re2 -","- C122 H212 N8 O8 P8 Re4 -","2","0.5","","Matthias Vogt; Alexander Nerush; Mark A. Iron; Gregory Leitus; Yael Diskin-Posner; Linda J. W. Shimon; Yehoshoa Ben-David; David Milstein","Activation of Nitriles by Metal Ligand Cooperation. Reversible Formation of Ketimido- and Enamido-Rhenium PNP Pincer Complexes and Relevance to Catalytic Design","Journal of the American Chemical Society","2013","135","","17004","17018","10.1021/ja4071859","","","0.71073","MoKα","","0.0623","0.0389","","","0.1002","0.1094","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121112","12.124","0.002","13.337","0.003","13.581","0.003","113.99","0.03","91.15","0.03","106.97","0.02","1894.6","0.9","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H55 N2 O2 P2 Re -","- C39 H55 N2 O2 P2 Re -","- C78 H110 N4 O4 P4 Re2 -","2","1","","Matthias Vogt; Alexander Nerush; Mark A. Iron; Gregory Leitus; Yael Diskin-Posner; Linda J. W. Shimon; Yehoshoa Ben-David; David Milstein","Activation of Nitriles by Metal Ligand Cooperation. Reversible Formation of Ketimido- and Enamido-Rhenium PNP Pincer Complexes and Relevance to Catalytic Design","Journal of the American Chemical Society","2013","135","","17004","17018","10.1021/ja4071859","","","0.71073","MoKα","","0.035","0.0281","","","0.0601","0.0626","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121113","12.758","0.0001","9.281","0.0001","35.675","0.0004","90","","94.693","0.0004","90","","4210.01","0.07","120","2","120","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 Cl2 F6 N2 O5 P2 Re S -","- C36 H51 Cl2 F6 N2 O5 P2 Re S -","- C144 H204 Cl8 F24 N8 O20 P8 Re4 S4 -","4","1","","Matthias Vogt; Alexander Nerush; Mark A. Iron; Gregory Leitus; Yael Diskin-Posner; Linda J. W. Shimon; Yehoshoa Ben-David; David Milstein","Activation of Nitriles by Metal Ligand Cooperation. Reversible Formation of Ketimido- and Enamido-Rhenium PNP Pincer Complexes and Relevance to Catalytic Design","Journal of the American Chemical Society","2013","135","","17004","17018","10.1021/ja4071859","","","0.71073","MoKα","","0.0574","0.0477","","","0.1125","0.1215","","","","","","1.097","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121114","9.637","0.0019","12.321","0.003","19.322","0.004","88.76","0.03","80.82","0.02","85.69","0.03","2258.3","0.9","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H61 F3 N2 O5 P2 Re S -","- C44 H61 F3 N2 O5 P2 Re S -","- C88 H122 F6 N4 O10 P4 Re2 S2 -","2","1","","Matthias Vogt; Alexander Nerush; Mark A. Iron; Gregory Leitus; Yael Diskin-Posner; Linda J. W. Shimon; Yehoshoa Ben-David; David Milstein","Activation of Nitriles by Metal Ligand Cooperation. Reversible Formation of Ketimido- and Enamido-Rhenium PNP Pincer Complexes and Relevance to Catalytic Design","Journal of the American Chemical Society","2013","135","","17004","17018","10.1021/ja4071859","","","0.71073","MoKα","","0.0287","0.0234","","","0.0472","0.0486","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121115","10.0388","0.0013","10.1015","0.0014","19.139","0.003","90","","90.277","0.003","90","","1940.8","0.5","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 F2 O P -","- C26 H17 F2 O P -","- C104 H68 F8 O4 P4 -","4","1","","Yun-Rong Chen; Wei-Liang Duan","Silver-Mediated Oxidative C-H/P-H Functionalization: An Efficient Route for the Synthesis of Benzo[b]phosphole Oxides","Journal of the American Chemical Society","2013","135","","16754","16757","10.1021/ja407373g","","","0.71073","MoKα","","0.0816","0.049","","","0.1259","0.1443","","","","","","1.019","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121116","9.7864","0.0014","10.3674","0.0015","18.976","0.003","90","","91.538","0.003","90","","1924.6","0.5","173","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 F2 O P -","- C26 H17 F2 O P -","- C104 H68 F8 O4 P4 -","4","1","","Yun-Rong Chen; Wei-Liang Duan","Silver-Mediated Oxidative C-H/P-H Functionalization: An Efficient Route for the Synthesis of Benzo[b]phosphole Oxides","Journal of the American Chemical Society","2013","135","","16754","16757","10.1021/ja407373g","","","0.71073","MoKα","","0.0398","0.0341","","","0.0863","0.0905","","","","","","1.056","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121117","12.6037","0.0011","10.2402","0.0009","15.9169","0.0014","90","","106.107","0.002","90","","1973.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O3.5 P -","- C23 H20 O3.5 P -","- C92 H80 O14 P4 -","4","1","","Yun-Rong Chen; Wei-Liang Duan","Silver-Mediated Oxidative C-H/P-H Functionalization: An Efficient Route for the Synthesis of Benzo[b]phosphole Oxides","Journal of the American Chemical Society","2013","135","","16754","16757","10.1021/ja407373g","","","0.71073","MoKα","","0.072","0.0498","","","0.1279","0.1407","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121118","38.512","0.002","38.512","0.002","38.512","0.002","90","","90","","90","","57120","5","110","2","110","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","PCN224Ni","","","- C144 H72 N12 Ni3 O64 Zr12 -","- C144 H72 N12 Ni3 O64 Zr12 -","- C576 H288 N48 Ni12 O256 Zr48 -","4","0.0416667","","Dawei Feng; Wan-Chun Chung; Zhangwen Wei; Zhi-Yuan Gu; Hai-Long Jiang; Ying-Pin Chen; Donald J. Darensbourg; Hong-Cai Zhou","Construction of Ultrastable Porphyrin Zr Metal-Organic Frameworks through Linker Elimination","Journal of the American Chemical Society","2013","135","","17105","17110","10.1021/ja408084j","","","0.71073","MoKα","","0.0887","0.0631","","","0.1862","0.2007","","","","","","1.14","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121119","38.465","0.018","38.465","0.018","38.465","0.018","90","","90","","90","","56911","5","113","2","110","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN224No","","","- C144 H72 N12 O64 Zr15 -","- C144 H72 N12 O64 Zr15 -","- C576 H288 N48 O256 Zr60 -","4","0.0416667","","Dawei Feng; Wan-Chun Chung; Zhangwen Wei; Zhi-Yuan Gu; Hai-Long Jiang; Ying-Pin Chen; Donald J. Darensbourg; Hong-Cai Zhou","Construction of Ultrastable Porphyrin Zr Metal-Organic Frameworks through Linker Elimination","Journal of the American Chemical Society","2013","135","","17105","17110","10.1021/ja408084j","","","0.71073","MoKα","","0.2231","0.1729","","","0.4091","0.44","","","","","","1.542","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121120","18.649","0.005","18.739","0.004","21.045","0.006","80.858","0.009","69.538","0.014","86.514","0.008","6803","3","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C68.75 H78.5 B Cl1.5 N8 O4 Zn -","- C68.75 H78.5 B Cl1.5 N8 O4 Zn -","- C275 H314 B4 Cl6 N32 O16 Zn4 -","4","2","","Martin L. Kirk; David A. Shultz; Daniel E. Stasiw; Geoffrey F. Lewis; Guangbin Wang; Candice L. Brannen; Roger D. Sommer; Paul D. Boyle","Superexchange Contributions to Distance Dependence of Electron Transfer/Transport: Exchange and Electronic Coupling in Oligo(para-Phenylene)- and Oligo(2,5-Thiophene)-Bridged Donor-Bridge-Acceptor Biradical Complexes","Journal of the American Chemical Society","2013","135","","17144","17154","10.1021/ja4081887","","","0.71073","MoKα","","0.1183","0.0814","","","0.2379","0.2579","","","","","","1.064","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121121","20.6545","0.0005","16.4166","0.0004","21.3372","0.0005","90","","108.568","0.001","90","","6858.3","0.3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","SQ-T-NN","","","- C64 H73 B N8 O4 S2 Zn -","- C64 H73 B N8 O4 S2 Zn -","- C256 H292 B4 N32 O16 S8 Zn4 -","4","1","","Martin L. Kirk; David A. Shultz; Daniel E. Stasiw; Geoffrey F. Lewis; Guangbin Wang; Candice L. Brannen; Roger D. Sommer; Paul D. Boyle","Superexchange Contributions to Distance Dependence of Electron Transfer/Transport: Exchange and Electronic Coupling in Oligo(para-Phenylene)- and Oligo(2,5-Thiophene)-Bridged Donor-Bridge-Acceptor Biradical Complexes","Journal of the American Chemical Society","2013","135","","17144","17154","10.1021/ja4081887","","","0.71073","MoKα","","0.073","0.0474","","","0.1288","0.1437","","","","","","1.027","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121122","13.892","0.003","14.795","0.003","17.661","0.003","107.885","0.007","99.167","0.007","114.878","0.006","2953.8","1.1","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C61.08 H75.34 B N8 O5.09 S Zn -","- C61.088 H75.352 B N8 O5.088 S Zn -","- C122.176 H150.704 B2 N16 O10.176 S2 Zn2 -","2","1","","Martin L. Kirk; David A. Shultz; Daniel E. Stasiw; Geoffrey F. Lewis; Guangbin Wang; Candice L. Brannen; Roger D. Sommer; Paul D. Boyle","Superexchange Contributions to Distance Dependence of Electron Transfer/Transport: Exchange and Electronic Coupling in Oligo(para-Phenylene)- and Oligo(2,5-Thiophene)-Bridged Donor-Bridge-Acceptor Biradical Complexes","Journal of the American Chemical Society","2013","135","","17144","17154","10.1021/ja4081887","","","0.71073","MoKα","","0.1491","0.0908","","","0.247","0.2873","","","","","","1.073","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121123","17.685","0.004","15.242","0.003","20.15","0.004","90","","105.85","0.03","90","","5225","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H75 Mo6 N3 O20 -","- C39 H75 Mo6 N3 O20 -","- C156 H300 Mo24 N12 O80 -","4","1","","Yi Zhu; Panchao Yin; Fengping Xiao; Dong Li; Emily Bitterlich; Zicheng Xiao; Jin Zhang; Jian Hao; Tianbo Liu; Yuan Wang; Yongge Wei","Bottom-Up Construction of POM-Based Macrostructures: Coordination Assembled Paddle-Wheel Macroclusters and Their Vesicle-like Supramolecular Aggregation in Solution","Journal of the American Chemical Society","2013","135","","17155","17160","10.1021/ja408228b","","","0.71073","MoKα","","0.0486","0.0369","","","0.1016","0.1082","","","","","","1.075","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121124","27.362","0.003","29.399","0.004","32.838","0.004","100.435","0.001","91.753","0.002","102.066","0.002","25340","5","81","2","81","2","","","","","","","","6","P -1","-P 1","2","","","","- C337 H655.5 Cu4 Mo48 N34.5 O164 -","- C337 H649.5 Cu4 Mo48 N34.5 O164 -","- C674 H1299 Cu8 Mo96 N69 O328 -","2","1","","Yi Zhu; Panchao Yin; Fengping Xiao; Dong Li; Emily Bitterlich; Zicheng Xiao; Jin Zhang; Jian Hao; Tianbo Liu; Yuan Wang; Yongge Wei","Bottom-Up Construction of POM-Based Macrostructures: Coordination Assembled Paddle-Wheel Macroclusters and Their Vesicle-like Supramolecular Aggregation in Solution","Journal of the American Chemical Society","2013","135","","17155","17160","10.1021/ja408228b","","","0.71073","MoKα","","0.1025","0.0621","","","0.1486","0.1739","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121125","9.1424","0.0006","11.0497","0.0005","13.7839","0.0011","90","","90","","90","","1392.46","0.16","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 S6 -","- C10 H10 S6 -","- C40 H40 S24 -","4","1","","Flavia Pop; Pascale Auban-Senzier; Arkadiusz Frąckowiak; Krzysztof Ptaszyński; Iwona Olejniczak; John D. Wallis; Enric Canadell; Narcis Avarvari","Chirality Driven Metallic versus Semiconducting Behavior in a Complete Series of Radical Cation Salts Based on Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF)","Journal of the American Chemical Society","2013","135","","17176","17186","10.1021/ja408350r","","","0.71073","MoKα","","0.0795","0.0508","","","0.088","0.1027","","","","","","1.214","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121126","9.1575","0.0013","11.0492","0.0011","13.757","0.002","90","","90","","90","","1392","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 S6 -","- C10 H10 S6 -","- C40 H40 S24 -","4","1","","Flavia Pop; Pascale Auban-Senzier; Arkadiusz Frąckowiak; Krzysztof Ptaszyński; Iwona Olejniczak; John D. Wallis; Enric Canadell; Narcis Avarvari","Chirality Driven Metallic versus Semiconducting Behavior in a Complete Series of Radical Cation Salts Based on Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF)","Journal of the American Chemical Society","2013","135","","17176","17186","10.1021/ja408350r","","","0.71073","MoKα","","0.1175","0.0765","","","0.1879","0.2135","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121127","13.1473","0.0012","15.675","0.003","15.485","0.002","90","","107.286","0.01","90","","3047.1","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 F6 P S12 -","- C20 H20 F6 P S12 -","- C80 H80 F24 P4 S48 -","4","2","","Flavia Pop; Pascale Auban-Senzier; Arkadiusz Frąckowiak; Krzysztof Ptaszyński; Iwona Olejniczak; John D. Wallis; Enric Canadell; Narcis Avarvari","Chirality Driven Metallic versus Semiconducting Behavior in a Complete Series of Radical Cation Salts Based on Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF)","Journal of the American Chemical Society","2013","135","","17176","17186","10.1021/ja408350r","","","0.71073","MoKα","","0.1073","0.0549","","","0.1188","0.1451","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121128","13.1431","0.0016","15.707","0.002","15.474","0.003","90","","107.326","0.014","90","","3049.5","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 F6 P S12 -","- C20 H20 F6 P S12 -","- C80 H80 F24 P4 S48 -","4","2","","Flavia Pop; Pascale Auban-Senzier; Arkadiusz Frąckowiak; Krzysztof Ptaszyński; Iwona Olejniczak; John D. Wallis; Enric Canadell; Narcis Avarvari","Chirality Driven Metallic versus Semiconducting Behavior in a Complete Series of Radical Cation Salts Based on Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF)","Journal of the American Chemical Society","2013","135","","17176","17186","10.1021/ja408350r","","","0.71073","MoKα","","0.0844","0.0491","","","0.1173","0.1385","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121129","6.666","0.0004","8.3842","0.0008","15.2213","0.0019","86.281","0.008","77.464","0.007","67.141","0.006","765.03","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 F6 P S12 -","- C19.996 H19.996 F6 P S12 -","- C19.996 H19.996 F6 P S12 -","1","0.5","","Flavia Pop; Pascale Auban-Senzier; Arkadiusz Frąckowiak; Krzysztof Ptaszyński; Iwona Olejniczak; John D. Wallis; Enric Canadell; Narcis Avarvari","Chirality Driven Metallic versus Semiconducting Behavior in a Complete Series of Radical Cation Salts Based on Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF)","Journal of the American Chemical Society","2013","135","","17176","17186","10.1021/ja408350r","","","0.71073","MoKα","","0.1037","0.054","","","0.1112","0.1318","","","","","","1.039","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121130","6.5771","0.0005","8.3478","0.001","15.004","0.003","83.296","0.013","77.863","0.011","67.014","0.01","740.88","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 F6 P S12 -","- C20 H20 F6 P S12 -","- C20 H20 F6 P S12 -","1","0.5","","Flavia Pop; Pascale Auban-Senzier; Arkadiusz Frąckowiak; Krzysztof Ptaszyński; Iwona Olejniczak; John D. Wallis; Enric Canadell; Narcis Avarvari","Chirality Driven Metallic versus Semiconducting Behavior in a Complete Series of Radical Cation Salts Based on Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF)","Journal of the American Chemical Society","2013","135","","17176","17186","10.1021/ja408350r","","","0.71073","MoKα","","0.0802","0.0505","","","0.1096","0.1236","","","","","","1.046","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121131","9.4237","0.0011","12.0092","0.0014","17.741","0.002","87.298","0.002","79.583","0.002","79.018","0.002","1938.3","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H59 Cr N2 Si2 -","- C37 H59 Cr N2 Si2 -","- C74 H118 Cr2 N4 Si4 -","2","1","","Fang Dai; Glenn P. A. Yap; Klaus H. Theopold","The Direct Oxidative Addition of O2 to a Mononuclear Cr(I) Complex Is Spin Forbidden","Journal of the American Chemical Society","2013","135","","16774","16776","10.1021/ja408357x","","","0.71073","MoKα","","0.0973","0.0645","","","0.1675","0.192","","","","","","1.064","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121132","14.5","0.003","13.934","0.003","26.862","0.006","90","","95.473","0.005","90","","5403","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H82 Cr2 N4 O2 -","- C58 H82 Cr2 N4 O2 -","- C232 H328 Cr8 N16 O8 -","4","1","","Fang Dai; Glenn P. A. Yap; Klaus H. Theopold","The Direct Oxidative Addition of O2 to a Mononuclear Cr(I) Complex Is Spin Forbidden","Journal of the American Chemical Society","2013","135","","16774","16776","10.1021/ja408357x","","","0.71073","MoKα","","0.1106","0.06","","","0.1172","0.1434","","","","","","1.008","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121133","9.4445","0.0004","12.4788","0.0005","13.8247","0.0005","72.002","0.002","76.863","0.002","72.732","0.002","1463.17","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H30 N4 O3 -","- C38 H30 N4 O3 -","- C76 H60 N8 O6 -","2","1","","Qi-Qiang Wang; Rowshan Ara Begum; Victor W. Day; Kristin Bowman-James","Chemical Mustard Containment Using Simple Palladium Pincer Complexes: The Influence of Molecular Walls","Journal of the American Chemical Society","2013","135","","17193","17199","10.1021/ja408770u","","","1.54178","CuKα","","0.0468","0.0399","","","0.1089","0.1132","","","","","","1.056","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121134","7.1631","0.0002","14.0687","0.0005","22.5552","0.0007","90","","98.017","0.001","90","","2250.8","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N5 O2 Pd -","- C25 H23 N5 O2 Pd -","- C100 H92 N20 O8 Pd4 -","4","1","","Qi-Qiang Wang; Rowshan Ara Begum; Victor W. Day; Kristin Bowman-James","Chemical Mustard Containment Using Simple Palladium Pincer Complexes: The Influence of Molecular Walls","Journal of the American Chemical Society","2013","135","","17193","17199","10.1021/ja408770u","","","1.54178","CuKα","","0.026","0.026","","","0.0665","0.0665","","","","","","1.116","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121135","20.9568","0.0012","17.9591","0.001","14.4943","0.0008","90","","130.928","0.001","90","","4121.5","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 N4 O4 Pd -","- C23 H20 N4 O4 Pd -","- C184 H160 N32 O32 Pd8 -","8","1","","Qi-Qiang Wang; Rowshan Ara Begum; Victor W. Day; Kristin Bowman-James","Chemical Mustard Containment Using Simple Palladium Pincer Complexes: The Influence of Molecular Walls","Journal of the American Chemical Society","2013","135","","17193","17199","10.1021/ja408770u","","","1.54178","CuKα","","0.0329","0.0329","","","0.0962","0.0962","","","","","","1.233","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121136","9.5086","0.0005","13.1544","0.0007","25.8691","0.0014","90","","90","","90","","3235.7","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H27 N5 O2 Pd -","- C39 H27 N5 O2 Pd -","- C156 H108 N20 O8 Pd4 -","4","1","","Qi-Qiang Wang; Rowshan Ara Begum; Victor W. Day; Kristin Bowman-James","Chemical Mustard Containment Using Simple Palladium Pincer Complexes: The Influence of Molecular Walls","Journal of the American Chemical Society","2013","135","","17193","17199","10.1021/ja408770u","","","1.54178","CuKα","","0.0294","0.0294","","","0.0842","0.0842","","","","","","1.182","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121137","13.5864","0.0004","16.0764","0.0004","12.5172","0.0004","90","","90","","90","","2734.01","0.14","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H26 Cl N3 O2 Pd S -","- C31 H26 Cl N3 O2 Pd S -","- C124 H104 Cl4 N12 O8 Pd4 S4 -","4","1","","Qi-Qiang Wang; Rowshan Ara Begum; Victor W. Day; Kristin Bowman-James","Chemical Mustard Containment Using Simple Palladium Pincer Complexes: The Influence of Molecular Walls","Journal of the American Chemical Society","2013","135","","17193","17199","10.1021/ja408770u","","","1.54178","CuKα","","0.0542","0.0446","","","0.112","0.1225","","","","","","1.094","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121138","10.6793","0.0002","12.3704","0.0002","15.7401","0.0003","112.462","0.001","101.89","0.001","94.951","0.001","1848.82","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H39 Cl2 N3 O2 Pd S2 -","- C42.25 H36.7626 Cl2 N3 O2 Pd S2 -","- C84.5 H73.5252 Cl4 N6 O4 Pd2 S4 -","2","1","","Qi-Qiang Wang; Rowshan Ara Begum; Victor W. Day; Kristin Bowman-James","Chemical Mustard Containment Using Simple Palladium Pincer Complexes: The Influence of Molecular Walls","Journal of the American Chemical Society","2013","135","","17193","17199","10.1021/ja408770u","","","1.54178","CuKα","","0.0462","0.0454","","","0.1205","0.1212","","","","","","1.057","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121139","8.3028","0.0002","12.4661","0.0004","21.5717","0.0007","96.621","0.0011","96.9056","0.0011","100.064","0.0011","2161.12","0.11","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H17 F6 N3 O4 P Re -","- C17 H17 F6 N3 O4 P Re -","- C68 H68 F24 N12 O16 P4 Re4 -","4","2","","Tatsuki Morimoto; Takuya Nakajima; Shuhei Sawa; Ryoichi Nakanishi; Daisuke Imori; Osamu Ishitani","CO2 Capture by a Rhenium(I) Complex with the Aid of Triethanolamine","Journal of the American Chemical Society","2013","135","","16825","16828","10.1021/ja409271s","","","0.7107","MoKα","","0.0405","0.031","","","0.0638","0.0689","","","","","","0.638","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121140","15.3674","0.0007","10.6326","0.0007","33.697","0.002","90","","97.037","0.002","90","","5464.5","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H32 O P2 Pd -","- C33 H32 O P2 Pd -","- C264 H256 O8 P16 Pd8 -","8","1","","Shin Takemoto; Vladimir V. Grushin","Nucleophile-Catalyzed, Facile, and Highly Selective C-H Activation of Fluoroform with Pd(II)","Journal of the American Chemical Society","2013","135","","16837","16840","10.1021/ja409533s","","","0.71073","MoKα","","0.0429","0.0423","","","0.093","0.0933","","","","","","1.336","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121141","10.7582","0.0006","14.8854","0.0009","13.1012","0.0008","90","","98.413","0.001","90","","2075.5","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H32 Cl O P Pd -","- C19 H32 Cl O P Pd -","- C76 H128 Cl4 O4 P4 Pd4 -","4","1","","Jeffrey S. Quesnel; Bruce A. Arndtsen","A Palladium-Catalyzed Carbonylation Approach to Acid Chloride Synthesis","Journal of the American Chemical Society","2013","135","","16841","16844","10.1021/ja4098093","","","0.71073","MoKα","","0.0422","0.0285","","","0.0614","0.0657","","","","","","1.031","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121142","8.6045","0.0011","13.6252","0.0016","15.015","0.0018","92.025","0.005","95.163","0.006","98.994","0.006","1729.4","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H64 F6 Fe2 N14 O6 S2 -","- C72 H64 F6 Fe2 N14 O6 S2 -","- C72 H64 F6 Fe2 N14 O6 S2 -","1","0.5","","Ie-Rang Jeon; Jesse G. Park; Dianne J. Xiao; T. David Harris","An Azophenine Radical-Bridged Fe2 Single-Molecule Magnet with Record Magnetic Exchange Coupling","Journal of the American Chemical Society","2013","135","","16845","16848","10.1021/ja409927v","","","1.54178","CuKα","","0.0544","0.0527","","","0.1491","0.1527","","","","","","0.805","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121143","35.9492","0.0008","35.9492","0.0008","14.0374","0.0004","90","","90","","120","","15710.7","0.7","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C79 H76 F3 Fe2 N18 O3 S -","- C71 H64 F3 Fe2 N14 O3 S -","- C639 H576 F27 Fe18 N126 O27 S9 -","9","0.5","","Ie-Rang Jeon; Jesse G. Park; Dianne J. Xiao; T. David Harris","An Azophenine Radical-Bridged Fe2 Single-Molecule Magnet with Record Magnetic Exchange Coupling","Journal of the American Chemical Society","2013","135","","16845","16848","10.1021/ja409927v","","","1.54178","CuKα","","0.0799","0.0694","","","0.1869","0.1955","","","","","","1.08","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121144","11.3017","0.0003","14.8706","0.0004","15.7363","0.0004","71.049","0.001","86.794","0.001","81.222","0.001","2471.98","0.11","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H60 Cl4 O5 P2 Ru -","- C52 H60 Cl4 O5 P2 Ru -","- C104 H120 Cl8 O10 P4 Ru2 -","2","1","","Emma L. McInturff; Jeffrey Mowat; Andrew R. Waldeck; Michael J. Krische","Ruthenium-Catalyzed Hydrohydroxyalkylation of Acrylates with Diols and α-Hydroxycarbonyl Compounds To Form Spiro- and α-Methylene-γ-butyrolactones","Journal of the American Chemical Society","2013","135","","17230","17235","10.1021/ja410533y","","","0.71073","MoKα","","0.0529","0.0419","","","0.0977","0.1036","","","","","","1.206","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121145","8.439","0.003","10.083","0.003","10.84","0.004","110.886","0.007","103.153","0.007","104.036","0.008","784.3","0.5","181","2","181","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","1","","Emma L. McInturff; Jeffrey Mowat; Andrew R. Waldeck; Michael J. Krische","Ruthenium-Catalyzed Hydrohydroxyalkylation of Acrylates with Diols and α-Hydroxycarbonyl Compounds To Form Spiro- and α-Methylene-γ-butyrolactones","Journal of the American Chemical Society","2013","135","","17230","17235","10.1021/ja410533y","","","0.71075","MoKα","","0.0703","0.0493","","","0.121","0.136","","","","","","1.067","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121146","22.7005","0.0006","15.5829","0.0004","16.2015","0.0004","90","","104.396","0.0014","90","","5551.2","0.2","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","Ca10Cd27Cu2","","","- Ca10.399 Cd26.704 Cu1.937 -","- Ca10.3993 Cd26.7043 Cu1.93693 -","- Ca62.396 Cd160.226 Cu11.6216 -","6","0.75","","Amelia B. Hadler; Nicholas A. Harris; Daniel C. Fredrickson","New Roles for Icosahedral Clusters in Intermetallic Phases: Micelle-like Segregation of Ca-Cd and Cu-Cd Interactions in Ca10Cd27Cu2","Journal of the American Chemical Society","2013","135","","17369","17378","10.1021/ja407291t","","","0.71069","MoKα","","0.0507","0.0284","","","0.0562","0.0618","","","","1.37","1.37","1.27","","","","has coordinates,has Fobs","179013","2020-10-21","18:00:00",""
"4121147","3.7772","0.0007","15.242","0.003","20.4","0.004","90","","95.296","0.004","90","","1169.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Mo N2 O3 -","- C12 H12 Mo N2 O3 -","- C48 H48 Mo4 N8 O12 -","4","1","","Xiao Zhang; Mehdi Hejazi; Suraj J. Thiagarajan; William R. Woerner; Debasis Banerjee; Thomas J. Emge; Wenqian Xu; Simon J. Teat; Qihan Gong; Ahmad Safari; Ronggui Yang; John B. Parise; Jing Li","From 1D Chain to 3D Network: A New Family of Inorganic-Organic Hybrid Semiconductors MO3(L)x (M = Mo, W; L = Organic Linker) Built on Perovskite-like Structure Modules","Journal of the American Chemical Society","2013","135","","17401","17407","10.1021/ja4077556","","","0.71073","MoKα","","0.0576","0.0412","","","0.092","0.0986","","","","","","1.027","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121148","7.5228","0.0004","7.389","0.0004","22.608","0.0013","90","","90","","90","","1256.69","0.12","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H5 Mo N O3 -","- C5 H5 Mo N O3 -","- C40 H40 Mo8 N8 O24 -","8","1","","Xiao Zhang; Mehdi Hejazi; Suraj J. Thiagarajan; William R. Woerner; Debasis Banerjee; Thomas J. Emge; Wenqian Xu; Simon J. Teat; Qihan Gong; Ahmad Safari; Ronggui Yang; John B. Parise; Jing Li","From 1D Chain to 3D Network: A New Family of Inorganic-Organic Hybrid Semiconductors MO3(L)x (M = Mo, W; L = Organic Linker) Built on Perovskite-like Structure Modules","Journal of the American Chemical Society","2013","135","","17401","17407","10.1021/ja4077556","","","0.7749","","","0.0506","0.0501","","","0.1256","0.1258","","","","","","1.387","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121149","5.2546","0.0003","5.2546","0.0003","26.987","0.003","90","","90","","90","","745.13","0.1","100","2","100","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- C6 H6.28 N O3.14 W -","- C6 H6.304 N O3.152 W -","- C24 H25.216 N4 O12.608 W4 -","4","0.25","","Xiao Zhang; Mehdi Hejazi; Suraj J. Thiagarajan; William R. Woerner; Debasis Banerjee; Thomas J. Emge; Wenqian Xu; Simon J. Teat; Qihan Gong; Ahmad Safari; Ronggui Yang; John B. Parise; Jing Li","From 1D Chain to 3D Network: A New Family of Inorganic-Organic Hybrid Semiconductors MO3(L)x (M = Mo, W; L = Organic Linker) Built on Perovskite-like Structure Modules","Journal of the American Chemical Society","2013","135","","17401","17407","10.1021/ja4077556","","","0.71073","MoKα","","0.0249","0.0217","","","0.0491","0.0503","","","","","","1.007","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121150","11.1528","0.0001","14.9749","0.0003","17.9193","0.0003","98.461","0.001","97.158","0.001","103.779","0.001","2835","0.08","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H19 B F10 O Si Zr -","- C28 H19 B F10 O Si Zr -","- C112 H76 B4 F40 O4 Si4 Zr4 -","4","2","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.0745","0.0591","","","0.1193","0.1321","","","","","","1.068","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121151","11.6698","0.0002","15.5587","0.0002","18.0772","0.0002","90","","92.406","0.001","90","","3279.33","0.08","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 B F10 N Si Zr -","- C32 H28 B F10 N Si Zr -","- C128 H112 B4 F40 N4 Si4 Zr4 -","4","1","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.0618","0.0447","","","0.0858","0.0958","","","","","","1.058","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121152","11.6849","0.0002","15.5589","0.0002","18.1675","0.0003","90","","92.132","0.001","90","","3300.64","0.09","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 B F10 N Si Zr -","- C32 H28 B F10 N Si Zr -","- C128 H112 B4 F40 N4 Si4 Zr4 -","4","1","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.0753","0.0524","","","0.1003","0.1143","","","","","","1.105","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121153","34.4119","0.0004","9.511","0.0001","18.9714","0.0003","90","","91.286","0.001","90","","6207.62","0.14","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 B F10 O Si Zr -","- C31 H27 B F10 O Si Zr -","- C248 H216 B8 F80 O8 Si8 Zr8 -","8","1","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.0447","0.0361","","","0.0845","0.0909","","","","","","1.044","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121154","10.2083","0.0001","10.8557","0.0002","16.127","0.0003","94.417","0.001","93.355","0.001","116.351","0.001","1588.09","0.05","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 B F10 Si Zr -","- C33 H29 B F10 Si Zr -","- C66 H58 B2 F20 Si2 Zr2 -","2","1","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.0482","0.0466","","","0.1024","0.1038","","","","","","1.103","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121155","10.5805","0.0001","31.8728","0.0004","21.7498","0.0003","90","","102.941","0.001","90","","7148.4","0.15","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37.5 H31 B F10 Si Zr -","- C37.5 H31 B F10 Si Zr -","- C300 H248 B8 F80 Si8 Zr8 -","8","2","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.0664","0.046","","","0.0904","0.1","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121156","11.1086","0.0003","16.2478","0.0004","21.5154","0.0006","98.084","0.001","104.561","0.001","94.6","0.002","3694.09","0.17","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H29 B F10 Si2 Zr -","- C32 H29 B F10 Si2 Zr -","- C128 H116 B4 F40 Si8 Zr4 -","4","2","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.0871","0.066","","","0.1609","0.1736","","","","","","1.05","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121157","10.4621","0.0002","14.9667","0.0003","19.5364","0.0004","90","","96.105","0.001","90","","3041.72","0.1","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 B F10 Si Zr -","- C32 H25 B F10 Si Zr -","- C128 H100 B4 F40 Si4 Zr4 -","4","1","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.0671","0.0551","","","0.1303","0.1399","","","","","","1.142","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121158","14.3941","0.0003","10.2369","0.0003","23.7522","0.0005","90","","91.691","0.002","90","","3498.39","0.15","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 B F10 Si2 Zr -","- C35 H33 B F10 Si2 Zr -","- C140 H132 B4 F40 Si8 Zr4 -","4","1","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.0675","0.0514","","","0.1151","0.1264","","","","","","1.09","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121159","11.4217","0.0001","12.4543","0.0001","18.0412","0.0003","91.971","0.001","102.497","0.001","108.45","0.001","2362.05","0.05","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 B F10 Si3 Zr -","- C46 H46 B F10 Si3 Zr -","- C92 H92 B2 F20 Si6 Zr2 -","2","1","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.0424","0.0391","","","0.092","0.0961","","","","","","1.033","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121160","12.3208","0.0002","18.086","0.0003","19.0287","0.0005","90","","97.545","0.001","90","","4203.53","0.15","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H42 B F10 P Si Zr -","- C47 H42 B F10 P Si Zr -","- C188 H168 B4 F40 P4 Si4 Zr4 -","4","1","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.1005","0.0694","","","0.1438","0.1628","","","","","","1.088","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121161","35.8746","0.0003","10.5981","0.0001","23.2071","0.0003","90","","125.385","0.001","90","","7193.54","0.16","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H29 B F10 Si Zr -","- C41 H29 B F10 Si Zr -","- C328 H232 B8 F80 Si8 Zr8 -","8","1","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.072","0.0487","","","0.0879","0.0981","","","","","","1.086","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121162","20.923","0.002","14.1629","0.0014","22.317","0.002","90","","90","","90","","6613.2","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(BDI)ZnFp","","","- C36 H46 Fe N2 O2 Zn -","- C36 H46 Fe N2 O2 Zn -","- C288 H368 Fe8 N16 O16 Zn8 -","8","1","","Thomas J. Mazzacano; Neal P. Mankad","Base Metal Catalysts for Photochemical C-H Borylation That Utilize Metal-Metal Cooperativity","Journal of the American Chemical Society","2013","135","","17258","17261","10.1021/ja408861p","","","0.71073","MoKα","","0.0378","0.0286","","","0.0714","0.0766","","","","","","1.044","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121163","21.758","0.013","15.19","0.009","26.251","0.016","90","","112.054","0.009","90","","8041","8","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C90 H75 Cu3 P6 -","- C90 H75 Cu3 P6 -","- C360 H300 Cu12 P24 -","4","1","","Michael S. Eberhart; Jack R. Norton; Ashley Zuzek; Wesley Sattler; Serge Ruccolo","Electron Transfer from Hexameric Copper Hydrides","Journal of the American Chemical Society","2013","135","","17262","17265","10.1021/ja408925m","","","0.71073","MoKα","","0.0867","0.0509","","","0.1124","0.123","","","","","","1.008","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121164","21.5852","0.0012","20.8629","0.0012","26.8356","0.0015","90","","99.484","0.001","90","","11919.7","1.2","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C126 H132 Cu6 O18 P6 -","- C126 H132 Cu6 O18 P6 -","- C504 H528 Cu24 O72 P24 -","4","1","","Michael S. Eberhart; Jack R. Norton; Ashley Zuzek; Wesley Sattler; Serge Ruccolo","Electron Transfer from Hexameric Copper Hydrides","Journal of the American Chemical Society","2013","135","","17262","17265","10.1021/ja408925m","","","0.71073","MoKα","","0.2123","0.067","","","0.1169","0.1577","","","","","","1.007","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121165","13.0054","0.001","13.881","0.0011","14.6853","0.0012","68.935","0.001","74.621","0.001","72.068","0.001","2317.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H124 Cu6 O2 P6 -","- C98 H124 Cu6 O2 P6 -","- C98 H124 Cu6 O2 P6 -","1","0.5","","Michael S. Eberhart; Jack R. Norton; Ashley Zuzek; Wesley Sattler; Serge Ruccolo","Electron Transfer from Hexameric Copper Hydrides","Journal of the American Chemical Society","2013","135","","17262","17265","10.1021/ja408925m","","","0.71073","MoKα","","0.0539","0.0368","","","0.0901","0.0978","","","","","","1.131","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121166","19.318","0.002","25.327","0.003","20.917","0.002","90","","91.781","0.002","90","","10229.1","1.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C120 H108 Cu6 P6 -","- C120 H108 Cu6 P6 -","- C480 H432 Cu24 P24 -","4","1","","Michael S. Eberhart; Jack R. Norton; Ashley Zuzek; Wesley Sattler; Serge Ruccolo","Electron Transfer from Hexameric Copper Hydrides","Journal of the American Chemical Society","2013","135","","17262","17265","10.1021/ja408925m","","","0.71073","MoKα","","0.202","0.081","","","0.1383","0.1802","","","","","","1.013","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121167","13.498","0.005","26.851","0.01","14.881","0.005","90","","101.799","0.007","90","","5279","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H37 O4 P2 Rh -","- C45 H37 O4 P2 Rh -","- C180 H148 O16 P8 Rh4 -","4","0.5","","Jing Zhang; Jun-Feng Liu; Angel Ugrinov; Anthony F. X. Pillai; Zhong-Ming Sun; Pinjing Zhao","Methoxy-Directed Aryl-to-Aryl 1,3-Rhodium Migration","Journal of the American Chemical Society","2013","135","","17270","17273","10.1021/ja409049t","","","0.71073","MoKα","","0.0889","0.0528","","","0.1269","0.1355","","","","","","1.001","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121168","13.0849","0.0009","13.2803","0.0009","14.9486","0.0011","78.037","0.001","70.508","0.001","87.384","0.001","2394.8","0.3","566","2","566","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H42 N O4 P2 Rh -","- C50 H42 N O4 P2 Rh -","- C100 H84 N2 O8 P4 Rh2 -","2","1","","Jing Zhang; Jun-Feng Liu; Angel Ugrinov; Anthony F. X. Pillai; Zhong-Ming Sun; Pinjing Zhao","Methoxy-Directed Aryl-to-Aryl 1,3-Rhodium Migration","Journal of the American Chemical Society","2013","135","","17270","17273","10.1021/ja409049t","","","0.71073","MoKα","","0.066","0.0475","","","0.1387","0.149","","","","","","0.998","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121169","21.6627","0.0017","17.532","0.0014","25.769","0.002","90","","98.035","0.002","90","","9690.7","1.3","536","2","536","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 N O4 P2 Rh -","- C50 H42 N O4 P2 Rh -","- C400 H336 N8 O32 P16 Rh8 -","8","2","","Jing Zhang; Jun-Feng Liu; Angel Ugrinov; Anthony F. X. Pillai; Zhong-Ming Sun; Pinjing Zhao","Methoxy-Directed Aryl-to-Aryl 1,3-Rhodium Migration","Journal of the American Chemical Society","2013","135","","17270","17273","10.1021/ja409049t","","","0.71073","MoKα","","0.0519","0.0399","","","0.1223","0.1283","","","","","","1.077","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121170","10.1513","0.0002","42.0696","0.0008","17.7599","0.0003","90","","94.519","0.001","90","","7561","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H50 P2 Ti -","- C46 H50 P2 Ti -","- C368 H400 P16 Ti8 -","8","2","","Martin Haehnel; Sven Hansen; Kathleen Schubert; Perdita Arndt; Anke Spannenberg; Haijun Jiao; Uwe Rosenthal","Synthesis, Characterization and Reactivity of Group 4 Metallocene Bis(diphenylphosphino)acetylene Complexes-A Reactivity and Bonding Study","Journal of the American Chemical Society","2013","135","","17556","17565","10.1021/ja409320k","","","0.71073","MoKα","","0.0557","0.0416","","","0.0933","0.1017","","","","","","1.052","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121171","11.4225","0.0002","12.4016","0.0002","15.9682","0.0003","68.832","0.001","73.958","0.001","72.245","0.001","1973.41","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H44 P2 Ti -","- C46 H44 P2 Ti -","- C92 H88 P4 Ti2 -","2","1","","Martin Haehnel; Sven Hansen; Kathleen Schubert; Perdita Arndt; Anke Spannenberg; Haijun Jiao; Uwe Rosenthal","Synthesis, Characterization and Reactivity of Group 4 Metallocene Bis(diphenylphosphino)acetylene Complexes-A Reactivity and Bonding Study","Journal of the American Chemical Society","2013","135","","17556","17565","10.1021/ja409320k","","","0.71073","MoKα","","0.046","0.0313","","","0.0773","0.0809","","","","","","1.063","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121172","18.136","0.0003","12.8709","0.0002","33.6094","0.0006","90","","97.837","0.001","90","","7772.1","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H48 P2 Zr -","- C49.5 H48 P2 Zr -","- C396 H384 P16 Zr8 -","8","1","","Martin Haehnel; Sven Hansen; Kathleen Schubert; Perdita Arndt; Anke Spannenberg; Haijun Jiao; Uwe Rosenthal","Synthesis, Characterization and Reactivity of Group 4 Metallocene Bis(diphenylphosphino)acetylene Complexes-A Reactivity and Bonding Study","Journal of the American Chemical Society","2013","135","","17556","17565","10.1021/ja409320k","","","0.71073","MoKα","","0.0446","0.0368","","","0.0839","0.0886","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121173","15.5727","0.0004","15.8919","0.0004","16.9596","0.0004","78.389","0.001","68.904","0.001","79.209","0.001","3805.35","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C95.8 H87.2 P4 Zr2 -","- C95.8 H87.2 P4 Zr2 -","- C191.6 H174.4 P8 Zr4 -","2","1","","Martin Haehnel; Sven Hansen; Kathleen Schubert; Perdita Arndt; Anke Spannenberg; Haijun Jiao; Uwe Rosenthal","Synthesis, Characterization and Reactivity of Group 4 Metallocene Bis(diphenylphosphino)acetylene Complexes-A Reactivity and Bonding Study","Journal of the American Chemical Society","2013","135","","17556","17565","10.1021/ja409320k","","","0.71073","MoKα","","0.0511","0.0407","","","0.1007","0.1089","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121174","10.2288","0.0002","16.1867","0.0004","19.89","0.0004","98.728","0.001","97.499","0.001","100.128","0.001","3162.25","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H102 Ni2 O2 P4 -","- C68 H102 Ni2 O2 P4 -","- C136 H204 Ni4 O4 P8 -","2","1","","Martin Haehnel; Sven Hansen; Kathleen Schubert; Perdita Arndt; Anke Spannenberg; Haijun Jiao; Uwe Rosenthal","Synthesis, Characterization and Reactivity of Group 4 Metallocene Bis(diphenylphosphino)acetylene Complexes-A Reactivity and Bonding Study","Journal of the American Chemical Society","2013","135","","17556","17565","10.1021/ja409320k","","","0.71073","MoKα","","0.0645","0.0412","","","0.0996","0.1115","","","","","","1.028","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121175","7.2092","0.0007","9.1767","0.0006","17.0327","0.0016","90","","101.81","0.008","90","","1102.97","0.17","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Li[TcO(glyc)2]DMF","","","- C7 H15 Li N O6 Tc -","- C7 H15 Li N O6 Tc -","- C28 H60 Li4 N4 O24 Tc4 -","4","1","","Michael Benz; Bernhard Spingler; Roger Alberto; Henrik Braband","Toward Organometallic 99mTc Imaging Agents: Synthesis of Water-Stable 99Tc-NHC Complexes","Journal of the American Chemical Society","2013","135","","17566","17572","10.1021/ja409499u","","","0.71069","MoKα","","0.038","0.0316","","","0.0861","0.0884","","","","","","1.041","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121176","19.7741","0.0015","10.2626","0.0005","15.8185","0.0011","90","","107.132","0.009","90","","3067.7","0.4","183","2","183","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[TcO2(L1)4](PF6)glycH2","","","- C22 H38 F6 N8 O4 P Tc -","- C22 H38 F6 N8 O4 P Tc -","- C88 H152 F24 N32 O16 P4 Tc4 -","4","0.5","","Michael Benz; Bernhard Spingler; Roger Alberto; Henrik Braband","Toward Organometallic 99mTc Imaging Agents: Synthesis of Water-Stable 99Tc-NHC Complexes","Journal of the American Chemical Society","2013","135","","17566","17572","10.1021/ja409499u","","","0.71073","MoKα","","0.0631","0.0524","","","0.1238","0.1314","","","","","","1.094","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121177","12.8951","0.0007","10.5795","0.0004","18.3405","0.0009","90","","106.496","0.004","90","","2399.1","0.2","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[TcO2(L2)2]ClxH2O","","","- C18 H28 Cl N8 O4 Tc -","- C18 H28 Cl N8 O4 Tc -","- C72 H112 Cl4 N32 O16 Tc4 -","4","0.5","","Michael Benz; Bernhard Spingler; Roger Alberto; Henrik Braband","Toward Organometallic 99mTc Imaging Agents: Synthesis of Water-Stable 99Tc-NHC Complexes","Journal of the American Chemical Society","2013","135","","17566","17572","10.1021/ja409499u","","","0.71073","MoKα","","0.0388","0.0328","","","0.0888","0.0984","","","","","","1.266","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121178","9.764","0.001","8.2135","0.0006","15.6688","0.0015","90","","90.694","0.008","90","","1256.5","0.2","183","2","183","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","[TcO2(L2)2](PF6)xH2O","","","- C18 H26 F6 N8 O3 P Tc -","- C18 H26 F6 N8 O3 P Tc -","- C36 H52 F12 N16 O6 P2 Tc2 -","2","0.5","","Michael Benz; Bernhard Spingler; Roger Alberto; Henrik Braband","Toward Organometallic 99mTc Imaging Agents: Synthesis of Water-Stable 99Tc-NHC Complexes","Journal of the American Chemical Society","2013","135","","17566","17572","10.1021/ja409499u","","","0.71069","MoKα","","0.0657","0.0496","","","0.1202","0.1278","","","","","","1.118","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121179","10.9223","0.0005","11.4201","0.0004","12.9602","0.0006","83.541","0.003","87.715","0.004","62.811","0.004","1428.7","0.12","183","2","183","2","","","","","","","","8","P 1","P 1","1","[99TcOCl(L2)2](PF6)2","","","- C18 H24 Cl F12 N8 O P2 Tc -","- C18 H24 Cl F12 N8 O P2 Tc -","- C36 H48 Cl2 F24 N16 O2 P4 Tc2 -","2","2","","Michael Benz; Bernhard Spingler; Roger Alberto; Henrik Braband","Toward Organometallic 99mTc Imaging Agents: Synthesis of Water-Stable 99Tc-NHC Complexes","Journal of the American Chemical Society","2013","135","","17566","17572","10.1021/ja409499u","","","0.71073","MoKα","","0.053","0.0447","","","0.0945","0.1013","","","","","","1.044","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121180","8.6324","0.0002","9.6076","0.0003","18.6505","0.0005","86.566","0.002","80.875","0.002","88.031","0.002","1524.01","0.07","183","2","183","2","","","","","","","","7","P -1","-P 1","2","[TcO2(L3)2](PF6)x2.6H2O","","","- C22 H37.2 F6 N8 O4.6 P Tc -","- C22 H37.2 F6 N8 O4.6 P Tc -","- C44 H74.4 F12 N16 O9.2 P2 Tc2 -","2","1","","Michael Benz; Bernhard Spingler; Roger Alberto; Henrik Braband","Toward Organometallic 99mTc Imaging Agents: Synthesis of Water-Stable 99Tc-NHC Complexes","Journal of the American Chemical Society","2013","135","","17566","17572","10.1021/ja409499u","","","0.71073","MoKα","","0.066","0.049","","","0.1139","0.1246","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121181","18.8031","0.0014","5.8211","0.0005","17.3207","0.0013","90","","103.022","0.004","90","","1847.1","0.3","143","1","143","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 -","- C25 H24 -","- C100 H96 -","4","1","","Sheng-Chun Sha; Jiadi Zhang; Patrick J. Carroll; Patrick J. Walsh","Raising the pKa Limit of ""Soft"" Nucleophiles in Palladium-Catalyzed Allylic Substitutions: Application of Diarylmethane Pronucleophiles","Journal of the American Chemical Society","2013","135","","17602","17609","10.1021/ja409511n","","","0.71073","MoKα","","0.0922","0.0597","","","0.1474","0.168","","","","","","1.029","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121182","26.9518","0.0012","21.0329","0.0008","19.4833","0.0006","90","","101.37","0.0013","90","","10827.8","0.7","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57.5 H78 Cl N3 P2 -","- C57.5 H78 Cl N3 P2 -","- C460 H624 Cl8 N24 P16 -","8","1","","Shigekazu Ito; Yasuhiro Ueta; Trang Thi Thu Ngo; Makoto Kobayashi; Daisuke Hashizume; Jun-ichi Nishida; Yoshiro Yamashita; Koichi Mikami","Direct Arylations for Study of the Air-Stable P-Heterocyclic Biradical: From Wide Electronic Tuning to Characterization of the Localized Radicalic Electrons","Journal of the American Chemical Society","2013","135","","17610","17616","10.1021/ja409625x","","","0.71075","MoKα","","0.0888","0.0599","","","0.1652","0.1932","","","","","","1.191","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121183","9.5","0.0003","26.4002","0.0008","20.6701","0.0005","90","","91.5161","0.001","90","","5182.3","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H87 N5 P2 -","- C53 H87 N5 P2 -","- C212 H348 N20 P8 -","4","1","","Shigekazu Ito; Yasuhiro Ueta; Trang Thi Thu Ngo; Makoto Kobayashi; Daisuke Hashizume; Jun-ichi Nishida; Yoshiro Yamashita; Koichi Mikami","Direct Arylations for Study of the Air-Stable P-Heterocyclic Biradical: From Wide Electronic Tuning to Characterization of the Localized Radicalic Electrons","Journal of the American Chemical Society","2013","135","","17610","17616","10.1021/ja409625x","","","0.71075","MoKα","","0.0766","0.0544","","","0.1507","0.1721","","","","","","1.16","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121184","9.4039","0.0005","15.7033","0.0008","19.3399","0.001","70.5365","0.0015","82.3034","0.0017","88.2449","0.0018","2668.2","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H87 N5 P2 -","- C53 H87 N5 P2 -","- C106 H174 N10 P4 -","2","1","","Shigekazu Ito; Yasuhiro Ueta; Trang Thi Thu Ngo; Makoto Kobayashi; Daisuke Hashizume; Jun-ichi Nishida; Yoshiro Yamashita; Koichi Mikami","Direct Arylations for Study of the Air-Stable P-Heterocyclic Biradical: From Wide Electronic Tuning to Characterization of the Localized Radicalic Electrons","Journal of the American Chemical Society","2013","135","","17610","17616","10.1021/ja409625x","","","0.71075","MoKα","","0.1015","0.0605","","","0.1547","0.2297","","","","","","1.363","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121185","8.6852","0.0001","11.6707","0.0002","11.6814","0.0001","67.538","0.0007","89.0645","0.0007","84.039","0.0001","1087.96","0.02","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C50 H68 P2 -","- C50 H68 P2 -","- C50 H68 P2 -","1","0.5","","Shigekazu Ito; Yasuhiro Ueta; Trang Thi Thu Ngo; Makoto Kobayashi; Daisuke Hashizume; Jun-ichi Nishida; Yoshiro Yamashita; Koichi Mikami","Direct Arylations for Study of the Air-Stable P-Heterocyclic Biradical: From Wide Electronic Tuning to Characterization of the Localized Radicalic Electrons","Journal of the American Chemical Society","2013","135","","17610","17616","10.1021/ja409625x","","","0.71073","MoKα","","0.0492","0.0338","","","0.1036","0.1131","","","","","","1.027","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121186","17.4396","0.0003","23.2554","0.0003","10.908","0.0001","90","","95.4413","0.0009","90","","4403.97","0.1","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C49 H74 P2 -","- C49 H74 P2 -","- C196 H296 P8 -","4","1","","Shigekazu Ito; Yasuhiro Ueta; Trang Thi Thu Ngo; Makoto Kobayashi; Daisuke Hashizume; Jun-ichi Nishida; Yoshiro Yamashita; Koichi Mikami","Direct Arylations for Study of the Air-Stable P-Heterocyclic Biradical: From Wide Electronic Tuning to Characterization of the Localized Radicalic Electrons","Journal of the American Chemical Society","2013","135","","17610","17616","10.1021/ja409625x","","","0.71073","MoKα","","0.0615","0.0324","","","0.0865","0.0918","","","","","","0.9","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121187","11.871","0.003","13.179","0.003","21.761","0.005","90","","90","","90","","3404.5","1.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Br O2 -","- C19 H21 Br O2 -","- C152 H168 Br8 O16 -","8","2","","Wen-Bo Liu; Corey M. Reeves; Brian M. Stoltz","Enantio-, Diastereo-, and Regioselective Iridium-Catalyzed Asymmetric Allylic Alkylation of Acyclic β-Ketoesters","Journal of the American Chemical Society","2013","135","","17298","17301","10.1021/ja4097829","","","0.71073","MoKα","","0.0967","0.0549","","","0.1052","0.1137","","","","","","1.307","","","","has coordinates,has Fobs","179013","2020-10-21","18:00:00",""
"4121188","9.488","0.005","20.058","0.011","10.155","0.006","90","","113.57","0.009","90","","1771.4","1.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 O -","- C25 H18 O -","- C100 H72 O4 -","4","1","","Jiang Nan; Zhijun Zuo; Lei Luo; Lu Bai; Huayu Zheng; Yini Yuan; Jingjing Liu; Xinjun Luan; Yaoyu Wang","RuII-Catalyzed Vinylative Dearomatization of Naphthols via a C(sp2)-H Bond Activation Approach","Journal of the American Chemical Society","2013","135","","17306","17309","10.1021/ja410060e","","","0.71073","MoKα","","0.1108","0.0713","","","0.2091","0.2458","","","","","","1.095","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121189","9.3081","0.0004","20.25","0.0008","12.3449","0.0004","90","","121.081","0.002","90","","1992.83","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cr N O3 Pt -","- C22 H21 Cr N O3 Pt -","- C88 H84 Cr4 N4 O12 Pt4 -","4","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.0647","0.0401","","","0.064","0.0696","","","","","","1.008","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121190","9.2219","0.0004","20.3172","0.0007","12.3696","0.0004","90","","120.462","0.002","90","","1997.7","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cr N O3 Pd -","- C22 H21 Cr N O3 Pd -","- C88 H84 Cr4 N4 O12 Pd4 -","4","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.0332","0.0228","","","0.0495","0.0526","","","","","","1.025","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121191","14.8707","0.0006","8.8067","0.0004","19.4475","0.0006","90","","126.477","0.002","90","","2047.93","0.15","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cr F N O3 Pd -","- C22 H20 Cr F N O3 Pd -","- C88 H80 Cr4 F4 N4 O12 Pd4 -","4","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.0514","0.0361","","","0.0801","0.0892","","","","","","1.083","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121192","9.144","0.001","20.219","0.001","12.4097","0.0009","90","","119.654","0.005","90","","1993.8","0.3","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cr F N O3 Pd -","- C22 H20 Cr F N O3 Pd -","- C88 H80 Cr4 F4 N4 O12 Pd4 -","4","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71069","MoKα","","0.0301","0.0275","","","0.0819","0.0854","","","","","","1.052","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121193","9.2218","0.0003","13.556","0.0005","9.316","0.0003","90","","117.519","0.001","90","","1032.83","0.06","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H23 Cr N O3 Pd -","- C23 H23 Cr N O3 Pd -","- C46 H46 Cr2 N2 O6 Pd2 -","2","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.0147","0.0141","","","0.0365","0.0367","","","","","","1.079","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121194","9.503","0.001","13.657","0.001","15.772","0.001","90","","90.096","0.001","90","","2046.9","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H23 Cr N O3 Pd -","- C23 H23 Cr N O3 Pd -","- C92 H92 Cr4 N4 O12 Pd4 -","4","2","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71069","MoKα","","0.0423","0.0404","","","0.0898","0.0912","","","","","","1.096","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121195","9.4903","0.0016","13.664","0.002","15.769","0.003","90","","90.209","0.004","90","","2044.8","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H23 Cr N O3 Pd -","- C23 H23 Cr N O3 Pd -","- C92 H92 Cr4 N4 O12 Pd4 -","4","2","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.076","0.0705","","","0.2075","0.2118","","","","","","1.058","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121196","8.9797","0.0005","18.9572","0.001","16.0973","0.0007","90","","121.068","0.002","90","","2347.2","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cr Fe N O3 Pd -","- C26 H25 Cr Fe N O3 Pd -","- C104 H100 Cr4 Fe4 N4 O12 Pd4 -","4","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.0698","0.0412","","","0.0815","0.0898","","","","","","1.01","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121197","16.4518","0.0006","15.2154","0.0006","24.1031","0.0009","90","","90","","90","","6033.5","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H21 Cl4 Cr2 N O6 Pd -","- C29 H21 Cl4 Cr2 N O6 Pd -","- C232 H168 Cl32 Cr16 N8 O48 Pd8 -","8","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.0658","0.0471","","","0.0876","0.0965","","","","","","1.152","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121198","8.5797","0.0003","10.7318","0.0004","12.1582","0.0005","90","","90","","90","","1119.47","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Cr O3 -","- C13 H10 Cr O3 -","- C52 H40 Cr4 O12 -","4","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.025","0.0229","","","0.0624","0.0637","","","","","","1.053","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121199","8.5819","0.0003","10.7371","0.0004","12.1553","0.0005","90","","90","","90","","1120.05","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Cr O3 -","- C13 H10 Cr O3 -","- C52 H40 Cr4 O12 -","4","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.0282","0.0247","","","0.0675","0.0694","","","","","","1.053","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121200","6.3104","0.0006","11.2957","0.001","11.5156","0.0011","113.259","0.006","97.63","0.006","94.944","0.006","738.74","0.13","123","","123","","","","","","","","","6","P 1","P 1","1","","","","- C33 H34 B Li N2 O6 -","- C33 H34 B Li N2 O6 -","- C33 H34 B Li N2 O6 -","1","1","","Takuya Hashimoto; Alberto Osuna Gálvez; Keiji Maruoka","In Situ Assembled Boronate Ester Assisted Chiral Carboxylic Acid Catalyzed Asymmetric Trans-Aziridinations","Journal of the American Chemical Society","2013","135","","17667","17670","10.1021/ja407764u","","","1.54187","CuKα","","","0.0747","","","","0.277","","","","","","1.092","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121201","16.894","0.004","16.778","0.004","22.935","0.006","90","","97.635","0.005","90","","6443","3","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H112 Cl2 N12 W2 -","- C60 H112 Cl2 N12 W2 -","- C240 H448 Cl8 N48 W8 -","4","1","","Gina M. Chiarella; F. Albert Cotton; Jason C. Durivage; Dennis L. Lichtenberger; Carlos A. Murillo","Solubilizing the Most Easily Ionized Molecules and Generating Powerful Reducing Agents","Journal of the American Chemical Society","2013","135","","17889","17896","10.1021/ja408291k","","","0.71073","MoKα","","0.1018","0.0518","","","0.0968","0.1077","","","","","","0.897","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121202","24.256","0.005","23.817","0.005","25.791","0.005","90","","90","","90","","14900","5","213","2","213","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C48 H88 Cl10 N12 W2 -","- C48 H88 Cl10 N12 W2 -","- C384 H704 Cl80 N96 W16 -","8","1","","Gina M. Chiarella; F. Albert Cotton; Jason C. Durivage; Dennis L. Lichtenberger; Carlos A. Murillo","Solubilizing the Most Easily Ionized Molecules and Generating Powerful Reducing Agents","Journal of the American Chemical Society","2013","135","","17889","17896","10.1021/ja408291k","","","0.71073","MoKα","","0.0631","0.027","","","0.0609","0.0677","","","","","","0.941","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121203","10.197","0.006","12.777","0.008","13.452","0.008","112.441","0.009","90.278","0.01","110.086","0.01","1502.6","1.6","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H80 N12 W2 -","- C44 H80 N12 W2 -","- C44 H80 N12 W2 -","1","0.5","","Gina M. Chiarella; F. Albert Cotton; Jason C. Durivage; Dennis L. Lichtenberger; Carlos A. Murillo","Solubilizing the Most Easily Ionized Molecules and Generating Powerful Reducing Agents","Journal of the American Chemical Society","2013","135","","17889","17896","10.1021/ja408291k","","","0.71073","MoKα","","0.1541","0.0862","","","0.1562","0.1744","","","","","","1.052","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121204","40.091","0.005","7.8348","0.0009","16.111","0.002","90","","113.26","0.008","90","","4649.2","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 N2 O2 -","- C26 H32 N2 O2 -","- C208 H256 N16 O16 -","8","1","","Yuetao Zhang; Meghan Schmitt; Laura Falivene; Lucia Caporaso; Luigi Cavallo; Eugene Y.-X. Chen","Organocatalytic Conjugate-Addition Polymerization of Linear and Cyclic Acrylic Monomers by N-Heterocyclic Carbenes: Mechanisms of Chain Initiation, Propagation, and Termination","Journal of the American Chemical Society","2013","135","","17925","17942","10.1021/ja4088677","","","0.71073","MoKα","","0.0668","0.044","","","0.1183","0.1357","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121205","10.3046","0.001","14.9806","0.0015","12.1361","0.0012","90","","111.332","0.004","90","","1745.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 N2 O4 -","- C16 H28 N2 O4 -","- C64 H112 N8 O16 -","4","1","","Yuetao Zhang; Meghan Schmitt; Laura Falivene; Lucia Caporaso; Luigi Cavallo; Eugene Y.-X. Chen","Organocatalytic Conjugate-Addition Polymerization of Linear and Cyclic Acrylic Monomers by N-Heterocyclic Carbenes: Mechanisms of Chain Initiation, Propagation, and Termination","Journal of the American Chemical Society","2013","135","","17925","17942","10.1021/ja4088677","","","0.71073","MoKα","","0.0441","0.041","","","0.1056","0.1085","","","","","","1.056","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121206","29.0878","0.0006","10.0431","0.0002","26.8906","0.0005","90","","90","","90","","7855.6","0.3","100","2","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C68 H76 Cl4 N6 O8 -","- C68 H76 Cl4 N6 O8 -","- C272 H304 Cl16 N24 O32 -","4","0.5","","Sergio Grunder; Psaras L. McGrier; Adam C. Whalley; Megan M. Boyle; Charlotte Stern; J. Fraser Stoddart","A Water-Soluble pH-Triggered Molecular Switch","Journal of the American Chemical Society","2013","135","","17691","17694","10.1021/ja409006y","","","1.54184","CuKα","","0.1709","0.1293","","","0.3903","0.419","","","","","","1.59","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121207","13.34","0.004","13.59","0.003","25.053","0.007","86.557","0.008","81.545","0.01","76.912","0.009","4374","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H94 F24 N12 O8 P4 -","- C80 H94 F24 N12 O8 P4 -","- C160 H188 F48 N24 O16 P8 -","2","1","","Sergio Grunder; Psaras L. McGrier; Adam C. Whalley; Megan M. Boyle; Charlotte Stern; J. Fraser Stoddart","A Water-Soluble pH-Triggered Molecular Switch","Journal of the American Chemical Society","2013","135","","17691","17694","10.1021/ja409006y","","","1.54178","CuKα","","0.0525","0.0431","","","0.1201","0.1264","","","","","","1.079","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121208","29.6","0.04","9.899","0.014","28","0.04","90","","102","0.03","90","","8025","19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H78 Cl4 N6 O16 -","- C68 H78 Cl4 N6 O16 -","- C272 H312 Cl16 N24 O64 -","4","1","","Sergio Grunder; Psaras L. McGrier; Adam C. Whalley; Megan M. Boyle; Charlotte Stern; J. Fraser Stoddart","A Water-Soluble pH-Triggered Molecular Switch","Journal of the American Chemical Society","2013","135","","17691","17694","10.1021/ja409006y","","","1.54178","CuKα","","0.1478","0.1285","","","0.3748","0.3874","","","","","","1.513","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121209","13.302","0.004","13.352","0.004","19.894","0.004","95.63","0.07","104.8","0.06","117.75","0.06","2924","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H46 Cl2 Cu2 Gd2 N8 O33 P8 -","- C24 H46 Cl2 Cu2 Gd2 N8 O33 P8 -","- C48 H92 Cl4 Cu4 Gd4 N16 O66 P16 -","2","1","","Arnau Carné-Sánchez; Célia S. Bonnet; Inhar Imaz; Julia Lorenzo; Éva Tóth; Daniel Maspoch","Relaxometry Studies of a Highly Stable Nanoscale Metal-Organic Framework Made of Cu(II), Gd(III), and the Macrocyclic DOTP","Journal of the American Chemical Society","2013","135","","17711","17714","10.1021/ja4094378","","","0.71073","MoKα","","0.0816","0.0763","","","0.2118","0.219","","","","","","1.045","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121210","20.002","0.003","11.4486","0.0016","16.359","0.002","90","","90","","90","","3746.1","0.9","238","2","238","2","","","","","","","","5","P n m a","-P 2ac 2n","62","KM40","","","- C36 H56 Er K O8 -","- C36 H56 Er K O8 -","- C144 H224 Er4 K4 O32 -","4","0.5","","Katie R. Meihaus; Jeffrey R. Long","Magnetic Blocking at 10 K and a Dipolar-Mediated Avalanche in Salts of the Bis(η8-cyclooctatetraenide) Complex [Er(COT)2]-","Journal of the American Chemical Society","2013","135","","17952","17957","10.1021/ja4094814","","","0.71073","MoKα","","0.0385","0.0331","","","0.0794","0.084","","","","","","1.062","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121211","7.7894","0.0015","9.3374","0.0018","13.184","0.003","84.992","0.003","83.644","0.003","89.27","0.003","949.4","0.3","239","2","239","2","","","","","","","","5","P -1","-P 1","2","KM43","","","- C36 H56 Er K O8 -","- C36.068 H56.136 Er K O8 -","- C36.068 H56.136 Er K O8 -","1","0.5","","Katie R. Meihaus; Jeffrey R. Long","Magnetic Blocking at 10 K and a Dipolar-Mediated Avalanche in Salts of the Bis(η8-cyclooctatetraenide) Complex [Er(COT)2]-","Journal of the American Chemical Society","2013","135","","17952","17957","10.1021/ja4094814","","","0.71073","MoKα","","0.0178","0.0177","","","0.0455","0.0455","","","","","","1.021","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121212","13.0729","0.0004","15.5542","0.0005","15.738","0.0005","72.594","0.001","77.347","0.001","67.149","0.001","2794.62","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","KM45","","","- C27 H42 K0.75 O6 Y0.75 -","- C27 H42 K0.75 O6 Y0.75 -","- C108 H168 K3 O24 Y3 -","4","2","","Katie R. Meihaus; Jeffrey R. Long","Magnetic Blocking at 10 K and a Dipolar-Mediated Avalanche in Salts of the Bis(η8-cyclooctatetraenide) Complex [Er(COT)2]-","Journal of the American Chemical Society","2013","135","","17952","17957","10.1021/ja4094814","","","0.71073","MoKα","","0.0819","0.0764","","","0.208","0.2139","","","","","","1.083","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121213","13.271","0.003","15.83","0.003","15.868","0.003","72.624","0.003","66.105","0.003","76.991","0.003","2888","1","238","2","238","2","","","","","","","","5","P -1","-P 1","2","KM48","","","- C27 H42 Dy0.75 K0.75 O6 -","- C27 H42 Dy0.75 K0.75 O6 -","- C108 H168 Dy3 K3 O24 -","4","2","","Katie R. Meihaus; Jeffrey R. Long","Magnetic Blocking at 10 K and a Dipolar-Mediated Avalanche in Salts of the Bis(η8-cyclooctatetraenide) Complex [Er(COT)2]-","Journal of the American Chemical Society","2013","135","","17952","17957","10.1021/ja4094814","","","0.71073","MoKα","","0.0324","0.0287","","","0.0736","0.077","","","","","","1.045","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121214","13.162","0.002","15.616","0.003","15.635","0.003","72.467","0.003","67.322","0.002","78.121","0.003","2812.6","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","KM42","","","- C27 H42.25 K0.75 O6 Sm0.75 -","- C27 H42 K0.75 O6 Sm0.75 -","- C108 H168 K3 O24 Sm3 -","4","2","","Katie R. Meihaus; Jeffrey R. Long","Magnetic Blocking at 10 K and a Dipolar-Mediated Avalanche in Salts of the Bis(η8-cyclooctatetraenide) Complex [Er(COT)2]-","Journal of the American Chemical Society","2013","135","","17952","17957","10.1021/ja4094814","","","0.71073","MoKα","","0.0632","0.0513","","","0.131","0.1433","","","","","","1.058","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121215","10.068","0.005","24.162","0.005","26.174","0.005","90","0.005","99.656","0.005","90","0.005","6277","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H154 N4 P6 Pt4 Si6 -","- C126 H154 N4 P6 Pt4 Si6 -","- C252 H308 N8 P12 Pt8 Si12 -","2","0.5","","Nora C. Breit; Tibor Szilvási; Tsuyoshi Suzuki; Daniel Gallego; Shigeyoshi Inoue","From a Zwitterionic Phosphasilene to Base Stabilized Silyliumylidene-Phosphide and Bis(silylene) Complexes","Journal of the American Chemical Society","2013","135","","17958","17968","10.1021/ja409720c","","","0.71069","MoKα","","0.0437","0.034","","","0.0957","0.0978","","","","","","1.447","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121216","12.2099","0.0011","13.6641","0.0011","18.0233","0.0017","89.804","0.007","80.657","0.007","69.81","0.008","2780.3","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H83 N4 Ni P Si3 -","- C55 H83 N4 Ni P Si3 -","- C110 H166 N8 Ni2 P2 Si6 -","2","1","","Nora C. Breit; Tibor Szilvási; Tsuyoshi Suzuki; Daniel Gallego; Shigeyoshi Inoue","From a Zwitterionic Phosphasilene to Base Stabilized Silyliumylidene-Phosphide and Bis(silylene) Complexes","Journal of the American Chemical Society","2013","135","","17958","17968","10.1021/ja409720c","","","0.71073","MoKα","","0.1438","0.0837","","","0.1326","0.1562","","","","","","1.032","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4121217","16.2714","0.0017","13.8754","0.0012","16.5807","0.0015","90","","104.427","0.003","90","","3625.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TPPN (1)","1,8-Bis(trispyrrolidinophosphazenyl)naphthalene","","- C36 H57 N9 P2 -","- C36 H57 N9 P2 -","- C144 H228 N36 P8 -","4","1","","Julius F. Kögel; Benjamin Oelkers; Borislav Kovačević; Jörg Sundermeyer","A New Synthetic Pathway to the Second and Third Generation of Superbasic Bisphosphazene Proton Sponges: The Run for the Best Chelating Ligand for a Proton","Journal of the American Chemical Society","2013","135","","17768","17774","10.1021/ja409760z","","","0.71073","MoKα","","0.0821","0.05","","","0.1091","0.1276","","","","","","1.059","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121218","12.5184","0.0006","14.6995","0.0005","28.0986","0.0012","90","","98.583","0.004","90","","5112.6","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","P2-TPPN (2)","1,8-Bis-[tris(pyrrolidino)phosphazenylbis(pyrrolidino)phosphazenyl]naphthalene","","- C50 H86 N14 P4 -","- C50 H86 N14 P4 -","- C200 H344 N56 P16 -","4","0.5","","Julius F. Kögel; Benjamin Oelkers; Borislav Kovačević; Jörg Sundermeyer","A New Synthetic Pathway to the Second and Third Generation of Superbasic Bisphosphazene Proton Sponges: The Run for the Best Chelating Ligand for a Proton","Journal of the American Chemical Society","2013","135","","17768","17774","10.1021/ja409760z","","","0.71073","MoKα","","0.0644","0.0322","","","0.0608","0.065","","","","","","0.76","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121219","17.6867","0.0008","17.8745","0.0006","26.9816","0.0008","90","","90","","90","","8530","0.5","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","TPPN x HN(SO2CF3)2","1,8-Bis(trispyrrolidinophosphazenyl)naphthalene x HN(SO2CF3)2","","- C36 H55 F6 N9 O4 P2 S2 -","- C36 H55 F6 N9 O4 P2 S2 -","- C288 H440 F48 N72 O32 P16 S16 -","8","2","","Julius F. Kögel; Benjamin Oelkers; Borislav Kovačević; Jörg Sundermeyer","A New Synthetic Pathway to the Second and Third Generation of Superbasic Bisphosphazene Proton Sponges: The Run for the Best Chelating Ligand for a Proton","Journal of the American Chemical Society","2013","135","","17768","17774","10.1021/ja409760z","","","0.71073","MoKα","","0.107","0.0482","","","0.0919","0.1022","","","","","","0.687","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121220","12.826","0.003","32.917","0.008","14.386","0.003","90","","95.424","0.007","90","","6046","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","P2-TPPN (2) x HN(SO2CF3)2","1,8-Bis-[tris(pyrrolidino)phosphazenylbis(pyrrolidino)phosphazenyl]naphthalene x HN(SO2CF3)2","","- C52 H87 F6 N15 O4 P4 S2 -","- C52 H87 F6 N15 O4 P4 S2 -","- C208 H348 F24 N60 O16 P16 S8 -","4","1","","Julius F. Kögel; Benjamin Oelkers; Borislav Kovačević; Jörg Sundermeyer","A New Synthetic Pathway to the Second and Third Generation of Superbasic Bisphosphazene Proton Sponges: The Run for the Best Chelating Ligand for a Proton","Journal of the American Chemical Society","2013","135","","17768","17774","10.1021/ja409760z","","","0.71073","MoKα","","0.0896","0.048","","","0.0886","0.1043","","","","","","1.011","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121221","11.452","0.002","8.527","0.002","13.432","0.003","90","","113.31","0.02","90","","1204.6","0.5","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H40 Cl N P2 Rh -","- C20 H40 Cl N P2 Rh -","- C40 H80 Cl2 N2 P4 Rh2 -","2","0.5","","Markus G. Scheibel; Yanlin Wu; A. Claudia Stückl; Lennard Krause; Elena Carl; Dietmar Stalke; Bas de Bruin; Sven Schneider","Synthesis and Reactivity of a Transient, Terminal Nitrido Complex of Rhodium","Journal of the American Chemical Society","2013","135","","17719","17722","10.1021/ja409764j","","","0.71073","MoKα","","0.0202","0.0183","","","0.0472","0.0481","","","","","","1.085","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121222","7.867","0.002","27.05","0.006","11.866","0.002","90","","106.53","0.02","90","","2420.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 N3 P2 Rh -","- C20 H40 N3 P2 Rh -","- C80 H160 N12 P8 Rh4 -","4","1","","Markus G. Scheibel; Yanlin Wu; A. Claudia Stückl; Lennard Krause; Elena Carl; Dietmar Stalke; Bas de Bruin; Sven Schneider","Synthesis and Reactivity of a Transient, Terminal Nitrido Complex of Rhodium","Journal of the American Chemical Society","2013","135","","17719","17722","10.1021/ja409764j","","","0.56085","AgKα","","0.06","0.0455","","","0.092","0.0967","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121223","10.1464","0.001","10.4691","0.001","19.064","0.002","77.982","0.01","81.91","0.02","75.721","0.01","1910.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H60 Cl N P3 Rh -","- C38 H60 Cl N P3 Rh -","- C76 H120 Cl2 N2 P6 Rh2 -","2","1","","Markus G. Scheibel; Yanlin Wu; A. Claudia Stückl; Lennard Krause; Elena Carl; Dietmar Stalke; Bas de Bruin; Sven Schneider","Synthesis and Reactivity of a Transient, Terminal Nitrido Complex of Rhodium","Journal of the American Chemical Society","2013","135","","17719","17722","10.1021/ja409764j","","","0.56086","AgKα","","0.0676","0.0478","","","0.0921","0.0992","","","","","","1.051","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121224","10.4794","0.0016","16.567","0.003","17.166","0.003","84.697","0.004","89.874","0.004","80.039","0.003","2922.5","0.9","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H39 Cl4 N8 O12 Ru2 S2 -","- C59 H39 Cl4 N8 O12 Ru2 S2 -","- C118 H78 Cl8 N16 O24 Ru4 S4 -","2","1","","Masaki Nishio; Norihisa Hoshino; Wataru Kosaka; Tomoyuki Akutagawa; Hitoshi Miyasaka","Carrier Concentration Dependent Conduction in Insulator-Doped Donor/Acceptor Chain Compounds","Journal of the American Chemical Society","2013","135","","17715","17718","10.1021/ja409785a","","","0.71075","MoKα","","","0.0373","","","","0.0992","","","","","","1.052","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121225","10.407","0.0016","16.616","0.003","17.22","0.003","85.105","0.006","89.676","0.005","80.244","0.005","2923.8","0.9","97","","97","","","","","","","","","7","P -1","-P 1","2","","","","- C57.5 H37.5 Cl4 N8 O12 Rh2 S2 -","- C57.5 H37.5 Cl4 N8 O12 Rh2 S2 -","- C115 H75 Cl8 N16 O24 Rh4 S4 -","2","1","","Masaki Nishio; Norihisa Hoshino; Wataru Kosaka; Tomoyuki Akutagawa; Hitoshi Miyasaka","Carrier Concentration Dependent Conduction in Insulator-Doped Donor/Acceptor Chain Compounds","Journal of the American Chemical Society","2013","135","","17715","17718","10.1021/ja409785a","","","0.71075","MoKα","","","0.0608","","","","0.1672","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121226","10.4829","0.0012","16.5442","0.0017","17.22","0.002","84.962","0.004","89.741","0.004","80.141","0.004","2930.8","0.6","97","","97","","","","","","","","","8","P -1","-P 1","2","","","","- C59 H39 Cl4 N8 O12 Rh0.06 Ru1.94 S2 -","- C59 H39 Cl4 N8 O12 Rh0.06 Ru1.94 S2 -","- C118 H78 Cl8 N16 O24 Rh0.12 Ru3.88 S4 -","2","1","","Masaki Nishio; Norihisa Hoshino; Wataru Kosaka; Tomoyuki Akutagawa; Hitoshi Miyasaka","Carrier Concentration Dependent Conduction in Insulator-Doped Donor/Acceptor Chain Compounds","Journal of the American Chemical Society","2013","135","","17715","17718","10.1021/ja409785a","","","0.71075","MoKα","","","0.0471","","","","0.1357","","","","","","1.062","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121227","10.4807","0.0013","16.5476","0.0019","17.218","0.002","84.951","0.004","89.769","0.004","80.148","0.003","2930.5","0.6","97","","97","","","","","","","","","8","P -1","-P 1","2","","","","- C59 H39 Cl4 N8 O12 Rh0.1 Ru1.9 S2 -","- C59 H39 Cl4 N8 O12 Rh0.1 Ru1.9 S2 -","- C118 H78 Cl8 N16 O24 Rh0.2 Ru3.8 S4 -","2","1","","Masaki Nishio; Norihisa Hoshino; Wataru Kosaka; Tomoyuki Akutagawa; Hitoshi Miyasaka","Carrier Concentration Dependent Conduction in Insulator-Doped Donor/Acceptor Chain Compounds","Journal of the American Chemical Society","2013","135","","17715","17718","10.1021/ja409785a","","","0.71075","MoKα","","","0.0485","","","","0.1374","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121228","10.4709","0.0012","16.566","0.002","17.224","0.002","84.981","0.004","89.787","0.004","80.17","0.003","2932.3","0.6","97","","97","","","","","","","","","8","P -1","-P 1","2","","","","- C59 H39 Cl4 N8 O12 Rh0.32 Ru1.68 S2 -","- C59 H39 Cl4 N8 O12 Rh0.32 Ru1.68 S2 -","- C118 H78 Cl8 N16 O24 Rh0.64 Ru3.36 S4 -","2","1","","Masaki Nishio; Norihisa Hoshino; Wataru Kosaka; Tomoyuki Akutagawa; Hitoshi Miyasaka","Carrier Concentration Dependent Conduction in Insulator-Doped Donor/Acceptor Chain Compounds","Journal of the American Chemical Society","2013","135","","17715","17718","10.1021/ja409785a","","","0.71075","MoKα","","","0.0481","","","","0.1388","","","","","","1.048","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121229","10.8826","0.0002","10.0476","0.0002","12.753","0.0002","90","","113.369","0.001","90","","1280.08","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H28 N4 O9 -","- C25 H28 N4 O9 -","- C50 H56 N8 O18 -","2","1","","Robert J. Sharpe; Justin T. Malinowski; Jeffrey S. Johnson","Asymmetric Synthesis of the Aminocyclitol Pactamycin, a Universal Translocation Inhibitor","Journal of the American Chemical Society","2013","135","","17990","17998","10.1021/ja409944u","","","1.54178","CuKα","","0.0259","0.0258","","","0.0678","0.0679","","","","","","1.062","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121230","8.4499","0.0004","10.619","0.0007","21.3899","0.001","90","","90","","90","","1919.3","0.18","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Robert J. Sharpe; Justin T. Malinowski; Jeffrey S. Johnson","Asymmetric Synthesis of the Aminocyclitol Pactamycin, a Universal Translocation Inhibitor","Journal of the American Chemical Society","2013","135","","17990","17998","10.1021/ja409944u","","","1.54178","CuKα","","0.047","0.0417","","","0.1031","0.1082","","","","","","1.043","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121231","7.4625","0.0001","16.3138","0.0002","17.2618","0.0002","111.137","0.001","97.944","0.001","92.243","0.001","1932.26","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H55 N3 O5 Si2 -","- C34 H55 N3 O5 Si2 -","- C68 H110 N6 O10 Si4 -","2","1","","Robert J. Sharpe; Justin T. Malinowski; Jeffrey S. Johnson","Asymmetric Synthesis of the Aminocyclitol Pactamycin, a Universal Translocation Inhibitor","Journal of the American Chemical Society","2013","135","","17990","17998","10.1021/ja409944u","","","1.54178","CuKα","","0.0556","0.0441","","","0.1125","0.1183","","","","","","1.04","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121232","7.6978","0.0004","15.238","0.0009","10.3159","0.0006","90","","96.133","0.003","90","","1203.12","0.12","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C13 H20 O2 -","- C13 H20 O2 -","- C52 H80 O8 -","4","1","","Pieter H. Bos; Mitchell T. Antalek; John A. Porco; Corey R. J. Stephenson","Tandem Dienone Photorearrangement-Cycloaddition for the Rapid Generation of Molecular Complexity","Journal of the American Chemical Society","2013","135","","17978","17982","10.1021/ja409992m","","","1.54178","CuKα","","0.0324","0.0323","","","0.0857","0.0858","","","","","","1.051","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121233","8.1528","0.0002","15.6908","0.0005","11.0625","0.0003","90","","90.148","0.001","90","","1415.15","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Pieter H. Bos; Mitchell T. Antalek; John A. Porco; Corey R. J. Stephenson","Tandem Dienone Photorearrangement-Cycloaddition for the Rapid Generation of Molecular Complexity","Journal of the American Chemical Society","2013","135","","17978","17982","10.1021/ja409992m","","","1.54178","CuKα","","0.0382","0.0351","","","0.0985","0.1102","","","","","","1.157","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121234","60.2324","0.0011","60.2324","0.0011","60.2324","0.0011","90","","90","","90","","218520","7","293","2","293","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- C47 H26 O13 Zn4 -","- C47 H26 O13 Zn4 -","- C2256 H1248 O624 Zn192 -","48","1","","Lujia Liu; Kristina Konstas; Matthew R. Hill; Shane G. Telfer","Programmed Pore Architectures in Modular Quaternary Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","17731","17734","10.1021/ja4100244","","","1.54178","CuKα","","0.0888","0.0829","","","0.2387","0.2463","","","","","","1.071","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121235","60.2289","0.0007","60.2289","0.0007","60.2289","0.0007","90","","90","","90","","218482","4","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C47 H25 N O13 Zn4 -","- C47 H25 N O13 Zn4 -","- C2256 H1200 N48 O624 Zn192 -","48","1","","Lujia Liu; Kristina Konstas; Matthew R. Hill; Shane G. Telfer","Programmed Pore Architectures in Modular Quaternary Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","17731","17734","10.1021/ja4100244","","","1.54178","CuKα","","0.1148","0.0885","","","0.2526","0.2854","","","","","","1.045","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121236","60.2326","0.0006","60.2326","0.0006","60.2326","0.0006","90","","90","","90","","218522","4","293","2","293","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- C49 H27 O13 Zn4 -","- C49 H27 O13 Zn4 -","- C2352 H1296 O624 Zn192 -","48","1","","Lujia Liu; Kristina Konstas; Matthew R. Hill; Shane G. Telfer","Programmed Pore Architectures in Modular Quaternary Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","17731","17734","10.1021/ja4100244","","","1.54178","CuKα","","0.1273","0.0878","","","0.2476","0.2819","","","","","","1.072","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121237","60.2136","0.0006","60.2136","0.0006","60.2136","0.0006","90","","90","","90","","218315","4","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C49 H26 N O13 Zn4 -","- C49 H26 N O13 Zn4 -","- C2352 H1248 N48 O624 Zn192 -","48","1","","Lujia Liu; Kristina Konstas; Matthew R. Hill; Shane G. Telfer","Programmed Pore Architectures in Modular Quaternary Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","17731","17734","10.1021/ja4100244","","","1.54178","CuKα","","0.1194","0.0833","","","0.2365","0.2825","","","","","","1.024","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121238","60.3052","0.0011","60.3052","0.0011","60.3052","0.0011","90","","90","","90","","219313","7","293","2","293","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- C51 H34 O17 Zn4 -","- C51 H34 O17 Zn4 -","- C2448 H1632 O816 Zn192 -","48","1","","Lujia Liu; Kristina Konstas; Matthew R. Hill; Shane G. Telfer","Programmed Pore Architectures in Modular Quaternary Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","17731","17734","10.1021/ja4100244","","","1.54178","CuKα","","0.1404","0.1063","","","0.3041","0.3269","","","","","","1.04","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121239","60.2594","0.0006","60.2594","0.0006","60.2594","0.0006","90","","90","","90","","218814","4","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C51 H33 N O17 Zn4 -","- C51 H33 N O17 Zn4 -","- C2448 H1584 N48 O816 Zn192 -","48","1","","Lujia Liu; Kristina Konstas; Matthew R. Hill; Shane G. Telfer","Programmed Pore Architectures in Modular Quaternary Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","17731","17734","10.1021/ja4100244","","","1.54178","CuKα","","0.116","0.0897","","","0.2541","0.2939","","","","","","1.1","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121240","60.29","0.002","60.29","0.002","60.29","0.002","90","","90","","90","","219147","13","293","2","293","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- C53 H35 O17 Zn4 -","- C53 H35 O17 Zn4 -","- C2544 H1680 O816 Zn192 -","48","1","","Lujia Liu; Kristina Konstas; Matthew R. Hill; Shane G. Telfer","Programmed Pore Architectures in Modular Quaternary Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","17731","17734","10.1021/ja4100244","","","1.54178","CuKα","","0.119","0.0884","","","0.2573","0.2939","","","","","","1.035","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121241","60.2419","0.0006","60.2419","0.0006","60.2419","0.0006","90","","90","","90","","218623","4","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C53 H34 N O17 Zn4 -","- C53 H34 N O17 Zn4 -","- C2544 H1632 N48 O816 Zn192 -","48","1","","Lujia Liu; Kristina Konstas; Matthew R. Hill; Shane G. Telfer","Programmed Pore Architectures in Modular Quaternary Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","17731","17734","10.1021/ja4100244","","","1.54178","CuKα","","0.1243","0.1053","","","0.3133","0.324","","","","","","1.147","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121242","5.779","0.0008","10.64","0.0013","12.493","0.0015","90","","94.47","0.02","90","","765.84","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","C14H22BrClN2O","","","- C14 H22 Br Cl N2 O -","- C14 H22 Br Cl N2 O -","- C28 H44 Br2 Cl2 N4 O2 -","2","1","","Lydia J. Rono; Hatice G. Yayla; David Y. Wang; Michael F. Armstrong; Robert R. Knowles","Enantioselective Photoredox Catalysis Enabled by Proton-Coupled Electron Transfer: Development of an Asymmetric Aza-Pinacol Cyclization","Journal of the American Chemical Society","2013","135","","17735","17738","10.1021/ja4100595","","","1.54178","CuKα","","0.0257","0.0255","","","0.0663","0.0665","","","","","","1.08","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121243","23.3227","0.0003","23.3227","0.0003","25.7815","0.0004","90","","90","","120","","12145","0.3","120","2","120","2","","","","","","","","7","P 3 2 1","P 3 2""","150","","","","- C200 H240 F24 Fe4 N24 O24 S8 -","- C197.49 H240 F16.47 Fe4 N24 O16.47 S5.49 -","- C394.98 H480 F32.94 Fe8 N48 O32.94 S10.98 -","2","0.333333","","Ana M. Castilla; Naoki Ousaka; Rana A. Bilbeisi; Elisa Valeri; Tanya K. Ronson; Jonathan R. Nitschke","High-Fidelity Stereochemical Memory in a FeII4L4 Tetrahedral Capsule","Journal of the American Chemical Society","2013","135","","17999","18006","10.1021/ja410117q","","","1.5418","CuKα","","0.0848","0.08","","","0.2196","0.2259","","","","","","1.04","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121244","8.1378","0.0002","14.7951","0.0005","27.4098","0.0009","90","","90","","90","","3300.13","0.18","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O3 -","- C20 H20 O3 -","- C160 H160 O24 -","8","2","","Zhongxing Huang; Guangbin Dong","Catalytic Direct β-Arylation of Simple Ketones with Aryl Iodides","Journal of the American Chemical Society","2013","135","","17747","17750","10.1021/ja410389a","","","0.71073","MoKα","","0.0573","0.0422","","","0.0983","0.1059","","","","","","1.003","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121245","9.2727","0.0005","11.474","0.0006","11.7505","0.0006","83.171","0.001","77.189","0.001","66.477","0.001","1117.12","0.1","166","2","166","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H36 Br2 N6 O2 Zn -","- C56 H36 Br2 N6 O2 Zn -","- C56 H36 Br2 N6 O2 Zn -","1","0.5","","Manik Lal Saha; Michael Schmittel","From 3-Fold Completive Self-Sorting of a Nine-Component Library to a Seven-Component Scalene Quadrilateral","Journal of the American Chemical Society","2013","135","","17743","17746","10.1021/ja410425k","","","0.71073","MoKα","","0.0824","0.0535","","","0.0871","0.0956","","","","","","1.074","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121246","14.8417","0.0007","15.1154","0.0007","15.8123","0.0007","67.937","0.001","67.118","0.001","88.145","0.001","3001.9","0.2","171","2","171","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H52 F6 N6 O11 S2 Zn -","- C67 H52 F6 N6 O11 S2 Zn -","- C134 H104 F12 N12 O22 S4 Zn2 -","2","1","","Manik Lal Saha; Michael Schmittel","From 3-Fold Completive Self-Sorting of a Nine-Component Library to a Seven-Component Scalene Quadrilateral","Journal of the American Chemical Society","2013","135","","17743","17746","10.1021/ja410425k","","","0.71073","MoKα","","0.3129","0.1667","","","0.2527","0.3118","","","","","","1.097","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121247","15.252","0.006","15.684","0.011","16.26","0.007","66.37","0.06","72.31","0.05","84.94","0.07","3392","4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H53 Cl6 F6 N5 O10 S2 Zn -","- C68 H53 Cl6 F6 N5 O10 S2 Zn -","- C136 H106 Cl12 F12 N10 O20 S4 Zn2 -","2","1","","Manik Lal Saha; Michael Schmittel","From 3-Fold Completive Self-Sorting of a Nine-Component Library to a Seven-Component Scalene Quadrilateral","Journal of the American Chemical Society","2013","135","","17743","17746","10.1021/ja410425k","","","0.71073","MoKα","","0.1778","0.1278","","","0.3878","0.4032","","","","","","1.255","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121248","14.2365","0.0016","17.8529","0.0019","24.947","0.003","100.054","0.005","97.316","0.005","97.856","0.006","6109.9","1.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C142 H202 N4 -","- C142 H202 N4 -","- C284 H404 N8 -","2","1","","Andrzej Rajca; Arnon Olankitwanit; Ying Wang; Przemysław J. Boratyński; Maren Pink; Suchada Rajca","High-Spin S=2 Ground State Aminyl Tetraradicals","Journal of the American Chemical Society","2013","135","","18205","18215","10.1021/ja409472f","","","0.71073","MoKα","","0.2186","0.0686","","","0.1458","0.1871","","","","","","0.848","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121249","12.01","0.0002","17.0683","0.0003","18.6762","0.0004","90","","104.484","0.0019","90","","3706.76","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H58 Fe N4 P2 -","- C37 H58 Fe N4 P2 -","- C148 H232 Fe4 N16 P8 -","4","1","","Burgert Blom; Gengwen Tan; Stephan Enthaler; Shigeyoshi Inoue; Jan Dirk Epping; Matthias Driess","Bis-N-Heterocyclic Carbene (NHC) Stabilized η6-Arene Iron(0) Complexes: Synthesis, Structure, Reactivity, and Catalytic Activity","Journal of the American Chemical Society","2013","135","","18108","18120","10.1021/ja410234x","","","1.54184","CuKα","","0.0768","0.0628","","","0.1643","0.1728","","","","","","1.597","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121250","15.2206","0.0001","10.757","0.0001","24.1245","0.0002","90","","101.148","0.001","90","","3875.33","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 Fe N4 O -","- C42 H58 Fe N4 O -","- C168 H232 Fe4 N16 O4 -","4","1","","Burgert Blom; Gengwen Tan; Stephan Enthaler; Shigeyoshi Inoue; Jan Dirk Epping; Matthias Driess","Bis-N-Heterocyclic Carbene (NHC) Stabilized η6-Arene Iron(0) Complexes: Synthesis, Structure, Reactivity, and Catalytic Activity","Journal of the American Chemical Society","2013","135","","18108","18120","10.1021/ja410234x","","","1.54178","CuKα","","0.0464","0.0395","","","0.0968","0.1021","","","","","","1.052","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121251","25.8165","0.0004","15.5331","0.0002","7.8898","0.0001","90","","90","","90","","3163.89","0.08","150","2","150","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C37 H46 Fe N4 -","- C37 H46 Fe N4 -","- C148 H184 Fe4 N16 -","4","0.5","","Burgert Blom; Gengwen Tan; Stephan Enthaler; Shigeyoshi Inoue; Jan Dirk Epping; Matthias Driess","Bis-N-Heterocyclic Carbene (NHC) Stabilized η6-Arene Iron(0) Complexes: Synthesis, Structure, Reactivity, and Catalytic Activity","Journal of the American Chemical Society","2013","135","","18108","18120","10.1021/ja410234x","","","1.54178","CuKα","","0.0386","0.0366","","","0.0946","0.0994","","","","","","1.074","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121252","15.5797","0.0007","19.5366","0.0009","22.6289","0.0011","71.38","0.002","76.171","0.002","67.194","0.002","5964.3","0.5","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C151 H131 Cl9 -","- C151 H131 Cl9 -","- C302 H262 Cl18 -","2","1","","Zhe Sun; Sangsu Lee; Kyu Hyung Park; Xiaojian Zhu; Wenhua Zhang; Bin Zheng; Pan Hu; Zebing Zeng; Soumyajit Das; Yuan Li; Chunyan Chi; Run-Wei Li; Kuo-Wei Huang; Jun Ding; Dongho Kim; Jishan Wu","Dibenzoheptazethrene Isomers with Different Biradical Characters: An Exercise of Clar's Aromatic Sextet Rule in Singlet Biradicaloids","Journal of the American Chemical Society","2013","135","","18229","18236","10.1021/ja410279j","","","1.54178","CuKα","","0.1199","0.0996","","","0.2302","0.2454","","","","","","0.998","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121253","13.9671","0.0012","14.3263","0.0013","15.9903","0.0015","102.783","0.007","107.815","0.006","90.531","0.006","2960.5","0.5","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C76 H80 Si2 -","- C76 H80 Si2 -","- C152 H160 Si4 -","2","1","","Zhe Sun; Sangsu Lee; Kyu Hyung Park; Xiaojian Zhu; Wenhua Zhang; Bin Zheng; Pan Hu; Zebing Zeng; Soumyajit Das; Yuan Li; Chunyan Chi; Run-Wei Li; Kuo-Wei Huang; Jun Ding; Dongho Kim; Jishan Wu","Dibenzoheptazethrene Isomers with Different Biradical Characters: An Exercise of Clar's Aromatic Sextet Rule in Singlet Biradicaloids","Journal of the American Chemical Society","2013","135","","18229","18236","10.1021/ja410279j","","","1.54178","CuKα","","0.2226","0.1472","","","0.3233","0.3807","","","","","","1.007","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121254","13.5742","0.0015","6.4041","0.0007","8.1012","0.0009","90","","99.001","0.001","90","","695.57","0.13","100","2","100","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","[2,2-binaphthol-ligand]","","","- C10 H7 O -","- C10 H7 O -","- C40 H28 O4 -","4","1","","Keith W. Bentley; Yea G. Nam; Jaslynn M. Murphy; Christian Wolf","Chirality Sensing of Amines, Diamines, Amino Acids, Amino Alcohols, and α-Hydroxy Acids with a Single Probe","Journal of the American Chemical Society","2013","135","","18052","18055","10.1021/ja410428b","","","0.71073","MoKα","","0.0409","0.0382","","","0.118","0.1201","","","","","","1.082","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121255","12.5034","0.0016","14.2812","0.0018","16.244","0.002","85.326","0.002","78.118","0.002","78.408","0.002","2778.1","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","[2,2-binaphthol]","","","- C70 H61 N4 O4.5 Zn2 -","- C70 H61 N4 O4.5 Zn2 -","- C140 H122 N8 O9 Zn4 -","2","2","","Keith W. Bentley; Yea G. Nam; Jaslynn M. Murphy; Christian Wolf","Chirality Sensing of Amines, Diamines, Amino Acids, Amino Alcohols, and α-Hydroxy Acids with a Single Probe","Journal of the American Chemical Society","2013","135","","18052","18055","10.1021/ja410428b","","","0.71073","MoKα","","0.102","0.069","","","0.1606","0.176","","","","","","1.028","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4121256","5.4328","0.00054","5.41122","0.00058","11.9143","0.0015","90","","107.696","0.0049","90","","333.69","0.07","16","","16","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","Lithium TCNE","","","- C6 Li N4 -","- C6 Li N4 -","- C12 Li2 N8 -","2","0.5","","Jae-Hyuk Her; Peter W. Stephens; Royce A. Davidson; Kil Sik Min; Joshua D. Bagnato; Kipp van Schooten; Christoph Boehme; Joel S. Miller","Weak Ferromagnetic Ordering of the Li+[TCNE].- (TCNE = Tetracyanoethylene) Organic Magnet with an Interpenetrating Diamondoid Structure","Journal of the American Chemical Society","2013","135","","18060","18063","10.1021/ja410818e","powder diffraction","","0.700296","","","","","","","","","","0.019","1.45","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121257","5.43283","0.00045","5.40633","0.00065","11.91039","0.00084","90","","107.655","0.0046","90","","333.35","0.05","20","","20","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C6 Li N4 -","- C6 Li N4 -","- C12 Li2 N8 -","2","0.5","","Jae-Hyuk Her; Peter W. Stephens; Royce A. Davidson; Kil Sik Min; Joshua D. Bagnato; Kipp van Schooten; Christoph Boehme; Joel S. Miller","Weak Ferromagnetic Ordering of the Li+[TCNE].- (TCNE = Tetracyanoethylene) Organic Magnet with an Interpenetrating Diamondoid Structure","Journal of the American Chemical Society","2013","135","","18060","18063","10.1021/ja410818e","powder diffraction","","0.690779","","","","","","","","","","","","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121258","5.43311","0.0005","5.40704","0.00062","11.91853","0.00083","90","","107.547","0.0044","90","","333.84","0.05","50","","50","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C6 Li N4 -","- C6 Li N4 -","- C12 Li2 N8 -","2","0.5","","Jae-Hyuk Her; Peter W. Stephens; Royce A. Davidson; Kil Sik Min; Joshua D. Bagnato; Kipp van Schooten; Christoph Boehme; Joel S. Miller","Weak Ferromagnetic Ordering of the Li+[TCNE].- (TCNE = Tetracyanoethylene) Organic Magnet with an Interpenetrating Diamondoid Structure","Journal of the American Chemical Society","2013","135","","18060","18063","10.1021/ja410818e","powder diffraction","","0.690779","","","","","","","","","","","","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121259","5.429","0.00044","5.40499","0.00076","11.9282","0.001","90","","107.284","0.0065","90","","334.21","0.06","100","","100","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C6 Li N4 -","- C6 Li N4 -","- C12 Li2 N8 -","2","0.5","","Jae-Hyuk Her; Peter W. Stephens; Royce A. Davidson; Kil Sik Min; Joshua D. Bagnato; Kipp van Schooten; Christoph Boehme; Joel S. Miller","Weak Ferromagnetic Ordering of the Li+[TCNE].- (TCNE = Tetracyanoethylene) Organic Magnet with an Interpenetrating Diamondoid Structure","Journal of the American Chemical Society","2013","135","","18060","18063","10.1021/ja410818e","powder diffraction","","0.690779","","","","","","","","","","","","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121260","5.42859","0.00053","5.40755","0.00057","11.94771","0.0007","90","","106.995","0.0064","90","","335.41","0.05","150","","150","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C6 Li N4 -","- C6 Li N4 -","- C12 Li2 N8 -","2","0.5","","Jae-Hyuk Her; Peter W. Stephens; Royce A. Davidson; Kil Sik Min; Joshua D. Bagnato; Kipp van Schooten; Christoph Boehme; Joel S. Miller","Weak Ferromagnetic Ordering of the Li+[TCNE].- (TCNE = Tetracyanoethylene) Organic Magnet with an Interpenetrating Diamondoid Structure","Journal of the American Chemical Society","2013","135","","18060","18063","10.1021/ja410818e","powder diffraction","","0.690779","","","","","","","","","","","","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121261","5.42943","0.00033","5.41232","0.00088","11.9671","0.0018","90","","106.692","0.0041","90","","336.84","0.08","200","","200","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C6 Li N4 -","- C6 Li N4 -","- C12 Li2 N8 -","2","0.5","","Jae-Hyuk Her; Peter W. Stephens; Royce A. Davidson; Kil Sik Min; Joshua D. Bagnato; Kipp van Schooten; Christoph Boehme; Joel S. Miller","Weak Ferromagnetic Ordering of the Li+[TCNE].- (TCNE = Tetracyanoethylene) Organic Magnet with an Interpenetrating Diamondoid Structure","Journal of the American Chemical Society","2013","135","","18060","18063","10.1021/ja410818e","powder diffraction","","0.690779","","","","","","","","","","","","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121262","5.42769","0.00052","5.41077","0.00057","11.9807","0.001","90","","106.379","0.0075","90","","337.57","0.06","250","","250","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C6 Li N4 -","- C6 Li N4 -","- C12 Li2 N8 -","2","0.5","","Jae-Hyuk Her; Peter W. Stephens; Royce A. Davidson; Kil Sik Min; Joshua D. Bagnato; Kipp van Schooten; Christoph Boehme; Joel S. Miller","Weak Ferromagnetic Ordering of the Li+[TCNE].- (TCNE = Tetracyanoethylene) Organic Magnet with an Interpenetrating Diamondoid Structure","Journal of the American Chemical Society","2013","135","","18060","18063","10.1021/ja410818e","powder diffraction","","0.690779","","","","","","","","","","","","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121263","5.42719","0.00039","5.41329","0.00045","12.002","0.0011","90","","106.067","0.0041","90","","338.83","0.05","295","","295","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C6 Li N4 -","- C6 Li N4 -","- C12 Li2 N8 -","2","0.5","","Jae-Hyuk Her; Peter W. Stephens; Royce A. Davidson; Kil Sik Min; Joshua D. Bagnato; Kipp van Schooten; Christoph Boehme; Joel S. Miller","Weak Ferromagnetic Ordering of the Li+[TCNE].- (TCNE = Tetracyanoethylene) Organic Magnet with an Interpenetrating Diamondoid Structure","Journal of the American Chemical Society","2013","135","","18060","18063","10.1021/ja410818e","powder diffraction","","0.690779","","","","","","","","","","","","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121264","13.561","0.002","16.729","0.002","22.476","0.003","90","","96.641","0.003","90","","5064.7","1.2","133","2","133","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C51 H43 Au2 F6 N O6 P2 S2 -","- C51 H43 Au2 F6 N O6 P2 S2 -","- C204 H172 Au8 F24 N4 O24 P8 S8 -","4","1","","Yu Tang; Jiakun Li; Yugen Zhu; Yao Li; Biao Yu","Mechanistic Insights into the Gold(I)-Catalyzed Activation of Glycosyl ortho-Alkynylbenzoates for Glycosidation","Journal of the American Chemical Society","2013","135","","18396","18405","10.1021/ja4064316","","","0.71073","MoKα","","0.1016","0.0828","","","0.1842","0.1977","","","","","","1.197","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121265","10.6349","0.0019","34.971","0.006","10.8056","0.0019","90","","102.586","0.002","90","","3922.2","1.2","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 F4 O14 Ru2 -","- C40 H40 F4 O14 Ru2 -","- C160 H160 F16 O56 Ru8 -","4","1","","Wataru Kosaka; Kayo Yamagishi; Akihiro Hori; Hiroshi Sato; Ryotaro Matsuda; Susumu Kitagawa; Masaki Takata; Hitoshi Miyasaka","Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers","Journal of the American Chemical Society","2013","135","","18469","18480","10.1021/ja4076056","","","0.71075","MoKα","","","0.0718","","","","0.1531","","","","","","1.212","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121266","12.82","0.003","12.953","0.003","12.657","0.003","90","","92.4","0.004","90","","2099.9","0.9","103","","103","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 Cl4 O14 Ru2 -","- C40 H24 Cl4 O14 Ru2 -","- C80 H48 Cl8 O28 Ru4 -","2","0.5","","Wataru Kosaka; Kayo Yamagishi; Akihiro Hori; Hiroshi Sato; Ryotaro Matsuda; Susumu Kitagawa; Masaki Takata; Hitoshi Miyasaka","Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers","Journal of the American Chemical Society","2013","135","","18469","18480","10.1021/ja4076056","","","0.71075","MoKα","","","0.06","","","","0.1566","","","","","","1.13","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121267","12.686","0.003","12.859","0.003","12.828","0.003","90","","92.226","0.008","90","","2091","0.8","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 Cl4 O14 Rh2 -","- C40 H40 Cl4 O14 Rh2 -","- C80 H80 Cl8 O28 Rh4 -","2","0.5","","Wataru Kosaka; Kayo Yamagishi; Akihiro Hori; Hiroshi Sato; Ryotaro Matsuda; Susumu Kitagawa; Masaki Takata; Hitoshi Miyasaka","Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers","Journal of the American Chemical Society","2013","135","","18469","18480","10.1021/ja4076056","","","0.7107","MoKα","","","0.0487","","","","0.1282","","","","","","1.077","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121268","9.697","0.002","12.025","0.003","12.608","0.003","87.81","0.03","77.56","0.02","83.71","0.02","1426.9","0.6","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H40 Cl12 N2 O12 Ru2 -","- C48 H40 Cl12 N2 O12 Ru2 -","- C48 H40 Cl12 N2 O12 Ru2 -","1","0.5","","Wataru Kosaka; Kayo Yamagishi; Akihiro Hori; Hiroshi Sato; Ryotaro Matsuda; Susumu Kitagawa; Masaki Takata; Hitoshi Miyasaka","Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers","Journal of the American Chemical Society","2013","135","","18469","18480","10.1021/ja4076056","","","0.7107","MoKα","","","0.0704","","","","0.1829","","","","","","1.086","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121269","9.6402","0.0011","12.0011","0.0016","12.5432","0.0016","87.884","0.005","77.956","0.004","83.753","0.005","1410.6","0.3","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H40 Cl12 N2 O12 Rh2 -","- C48 H40 Cl12 N2 O12 Rh2 -","- C48 H40 Cl12 N2 O12 Rh2 -","1","0.5","","Wataru Kosaka; Kayo Yamagishi; Akihiro Hori; Hiroshi Sato; Ryotaro Matsuda; Susumu Kitagawa; Masaki Takata; Hitoshi Miyasaka","Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers","Journal of the American Chemical Society","2013","135","","18469","18480","10.1021/ja4076056","","","0.71075","MoKα","","","0.0631","","","","0.1766","","","","","","1.092","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121270","9.8692","0.0004","11.0682","0.0003","10.7563","0.0004","79.836","0.004","106.536","0.005","86.339","0.005","1100.55","0.08","100","1","100","1","","","","","","","","6","P -1","-P 1","2","[Ru2(4-Cl-2-OMe-PhCO2)4(phz)]","","","- C44 H32 Cl4 N2 O12 Ru2 -","- C44 H32 Cl4 N2 O12 Ru2 -","- C44 H32 Cl4 N2 O12 Ru2 -","1","0.5","","Wataru Kosaka; Kayo Yamagishi; Akihiro Hori; Hiroshi Sato; Ryotaro Matsuda; Susumu Kitagawa; Masaki Takata; Hitoshi Miyasaka","Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers","Journal of the American Chemical Society","2013","135","","18469","18480","10.1021/ja4076056","powder diffraction","","0.79909","synchrotron","","0.0186","","","","","","0.01815","0.04114","4.6158","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121271","9.793","0.0004","11.1753","0.0004","10.6362","0.0005","81.178","0.005","106.289","0.006","85.825","0.006","1095.82","0.09","100","1","100","1","","","","","","","","6","P -1","-P 1","2","[Rh2(4-Cl-2-OMe-PhCO2)4(phz)]","","","- C44 H32 Cl4 N2 O12 Rh2 -","- C44 H32 Cl4 N2 O12 Rh2 -","- C44 H32 Cl4 N2 O12 Rh2 -","1","0.5","","Wataru Kosaka; Kayo Yamagishi; Akihiro Hori; Hiroshi Sato; Ryotaro Matsuda; Susumu Kitagawa; Masaki Takata; Hitoshi Miyasaka","Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers","Journal of the American Chemical Society","2013","135","","18469","18480","10.1021/ja4076056","powder diffraction","","0.79873","synchrotron","","0.00915","","","","","","0.00918","0.01869","7.2767","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121272","9.7304","0.0003","11.9815","0.0003","10.6288","0.0004","85.399","0.004","101.235","0.006","83.334","0.004","1200.45","0.07","195","1","195","1","","","","","","","","6","P -1","-P 1","2","[Ru2(4-Cl-2-OMe-PhCO2)4(phz)]2(CO2)","","","- C46 H32 Cl4 N2 O16 Ru2 -","- C46 H32 Cl4 N2 O16 Ru2 -","- C46 H32 Cl4 N2 O16 Ru2 -","1","0.5","","Wataru Kosaka; Kayo Yamagishi; Akihiro Hori; Hiroshi Sato; Ryotaro Matsuda; Susumu Kitagawa; Masaki Takata; Hitoshi Miyasaka","Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers","Journal of the American Chemical Society","2013","135","","18469","18480","10.1021/ja4076056","powder diffraction","","0.79933","synchrotron","","0.00608","","","","","","0.00608","0.01618","6.9158","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121273","9.7255","0.0003","12.0456","0.0003","10.5596","0.0003","86.501","0.003","101.224","0.005","83.605","0.004","1201.49","0.06","121","1","121","1","","","","","","","","6","P -1","-P 1","2","[Ru2(4-Cl-2-OMe-PhCO2)4(phz)] 4(NO)","","","- C44 H32 Cl4 N6 O16 Ru2 -","- C44 H32 Cl4 N6 O16 Ru2 -","- C44 H32 Cl4 N6 O16 Ru2 -","1","0.5","","Wataru Kosaka; Kayo Yamagishi; Akihiro Hori; Hiroshi Sato; Ryotaro Matsuda; Susumu Kitagawa; Masaki Takata; Hitoshi Miyasaka","Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers","Journal of the American Chemical Society","2013","135","","18469","18480","10.1021/ja4076056","powder diffraction","","0.79873","synchrotron","","0.00541","","","","","","0.0054","0.0154","5.2782","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121274","16.4396","0.0003","17.2702","0.0003","23.2971","0.0005","90","","90","","90","","6614.4","0.2","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H32 B F10 O P -","- C38 H32 B F10 O P -","- C304 H256 B8 F80 O8 P8 -","8","1","","Muhammad Sajid; Arunlibertsen Lawzer; Weishi Dong; Christoph Rosorius; Wolfram Sander; Birgitta Schirmer; Stefan Grimme; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker","Carbonylation Reactions of Intramolecular Vicinal Frustrated Phosphane/Borane Lewis Pairs","Journal of the American Chemical Society","2013","135","","18567","18574","10.1021/ja408815k","","","1.54178","CuKα","","0.0418","0.0378","","","0.0947","0.0974","","","","","","1.031","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121275","22.319","0.0007","14.9283","0.0005","20.15","0.001","90","","115.062","0.005","90","","6081.6","0.5","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H26 B F10 O P -","- C33 H26 B F10 O P -","- C264 H208 B8 F80 O8 P8 -","8","1","","Muhammad Sajid; Arunlibertsen Lawzer; Weishi Dong; Christoph Rosorius; Wolfram Sander; Birgitta Schirmer; Stefan Grimme; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker","Carbonylation Reactions of Intramolecular Vicinal Frustrated Phosphane/Borane Lewis Pairs","Journal of the American Chemical Society","2013","135","","18567","18574","10.1021/ja408815k","","","1.54178","CuKα","","0.0449","0.0412","","","0.1094","0.1125","","","","","","1.061","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121276","9.8246","0.0015","9.8488","0.0015","18.657","0.003","82.967","0.002","84.686","0.002","64.474","0.002","1615.2","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H68 Cl3 Cu2 N2 Na7 O34 S12 -","- C30 H68 Cl3 Cu2 N2 Na7 O34 S12 -","- C30 H68 Cl3 Cu2 N2 Na7 O34 S12 -","1","0.5","","Pritha Bagchi; M. Thomas Morgan; John Bacsa; Christoph J. Fahrni","Robust Affinity Standards for Cu(I) Biochemistry","Journal of the American Chemical Society","2013","135","","18549","18559","10.1021/ja408827d","","","0.71073","MoKα","","0.0474","0.039","","","0.1038","0.1098","","","","","","1.029","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121277","11.8551","0.0017","11.9311","0.0017","32.214","0.005","91.273","0.002","98.023","0.002","119.384","0.002","3909.7","1","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C18 H51 Cu F6 N Na3 O16.5 P S6 -","- C18 H51 Cu F6 N Na3 O16.5 P S6 -","- C72 H204 Cu4 F24 N4 Na12 O66 P4 S24 -","4","2","","Pritha Bagchi; M. Thomas Morgan; John Bacsa; Christoph J. Fahrni","Robust Affinity Standards for Cu(I) Biochemistry","Journal of the American Chemical Society","2013","135","","18549","18559","10.1021/ja408827d","","","0.71073","MoKα","","0.0631","0.0484","","","0.1243","0.134","","","","","","1.022","","","","has coordinates,has disorder","286259","2023-09-07","06:04:45",""
"4121278","13.4862","0.0005","13.6947","0.0004","15.8096","0.0005","71.571","0.001","77.676","0.001","78.885","0.001","2681.44","0.15","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H38 Cu F6 O5 P S4 -","- C18 H38 Cu F6 O5 P S4 -","- C72 H152 Cu4 F24 O20 P4 S16 -","4","2","","Pritha Bagchi; M. Thomas Morgan; John Bacsa; Christoph J. Fahrni","Robust Affinity Standards for Cu(I) Biochemistry","Journal of the American Chemical Society","2013","135","","18549","18559","10.1021/ja408827d","","","0.71073","MoKα","","0.0454","0.0374","","","0.0959","0.1019","","","","","","1.022","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121279","9.5948","0.0009","9.6412","0.0009","12.1268","0.0012","100.741","0.002","107.201","0.001","97.413","0.002","1032.38","0.17","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H32 O4 S4 -","- C16 H32 O4 S4 -","- C32 H64 O8 S8 -","2","1","","Pritha Bagchi; M. Thomas Morgan; John Bacsa; Christoph J. Fahrni","Robust Affinity Standards for Cu(I) Biochemistry","Journal of the American Chemical Society","2013","135","","18549","18559","10.1021/ja408827d","","","0.71073","MoKα","","0.102","0.0944","","","0.2297","0.2354","","","","","","1.059","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121280","5.3888","0.0008","5.3888","0.0008","5.1071","0.0014","90","","90","","120","","128.44","0.04","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C Cs F O3 Pb -","- C Cs F O3 Pb -","- C Cs F O3 Pb -","1","0.0833333","","Guohong Zou; Ling Huang; Ning Ye; Chensheng Lin; Wendan Cheng; Hui Huang","CsPbCO3F: A Strong Second-Harmonic Generation Material Derived from Enhancement via p-π Interaction","Journal of the American Chemical Society","2013","135","","18560","18566","10.1021/ja408982d","","","0.71073","MoKα","","0.027","0.027","","","0.0547","0.0547","","","","","","1.057","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121281","33.2055","0.0011","64.785","0.002","32.7759","0.0011","90","","90","","90","","70508","4","299","2","299","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","Au23(SR)16","","","- C128 H244 Au23 N S16 -","- C114 H176 Au23 N S16 -","- C1824 H2816 Au368 N16 S256 -","16","1","","Anindita Das; Tao Li; Katsuyuki Nobusada; Chenjie Zeng; Nathaniel L. Rosi; Rongchao Jin","Nonsuperatomic [Au23(SC6H11)16]- Nanocluster Featuring Bipyramidal Au15 Kernel and Trimeric Au3(SR)4 Motif","Journal of the American Chemical Society","2013","135","","18264","18267","10.1021/ja409177s","","","1.54178","CuKα","","0.1462","0.0721","","","0.1798","0.2244","","","","","","1.053","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121282","15.3011","0.0017","19.814","0.002","30.622","0.003","73.074","0.004","89.875","0.004","86.771","0.004","8866.6","1.6","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H76 Cl19.25 N4 O11.75 P -","- C75 H76 Cl19.25 N4 O11.75 P -","- C300 H304 Cl77 N16 O47 P4 -","4","2","","Bastien Chatelet; Heinz Gornitzka; Véronique Dufaud; Erwann Jeanneau; Jean-Pierre Dutasta; Alexandre Martinez","Superbases in Confined Space: Control of the Basicity and Reactivity of the Proton Transfer","Journal of the American Chemical Society","2013","135","","18659","18664","10.1021/ja409444s","","","0.71073","MoKα","","0.2236","0.1446","","","0.3008","0.3392","","","","","","1.115","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4121283","14.554","0.008","19.781","0.011","21.193","0.013","90","","109.237","0.01","90","","5761","6","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63.5 H76.5 N7 O9 P1.5 -","- C63.5 H76.5 N7 O9 P1.5 -","- C254 H306 N28 O36 P6 -","4","1","","Bastien Chatelet; Heinz Gornitzka; Véronique Dufaud; Erwann Jeanneau; Jean-Pierre Dutasta; Alexandre Martinez","Superbases in Confined Space: Control of the Basicity and Reactivity of the Proton Transfer","Journal of the American Chemical Society","2013","135","","18659","18664","10.1021/ja409444s","","","0.71073","MoKα","","0.0792","0.0514","","","0.1121","0.1267","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121284","9.7981","0.0007","10.3144","0.0007","15.3068","0.0008","83.5","0.005","78.831","0.005","83.766","0.005","1501.9","0.17","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 Cl N4 O4 P -","- C30 H42 Cl N4 O4 P -","- C60 H84 Cl2 N8 O8 P2 -","2","1","","Bastien Chatelet; Heinz Gornitzka; Véronique Dufaud; Erwann Jeanneau; Jean-Pierre Dutasta; Alexandre Martinez","Superbases in Confined Space: Control of the Basicity and Reactivity of the Proton Transfer","Journal of the American Chemical Society","2013","135","","18659","18664","10.1021/ja409444s","","","1.5418","CuKα","","0.0419","0.0383","","0.0767","0.0723","0.0767","","","","","","0.9512","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121285","20.346","0.002","15.4644","0.0016","23.164","0.002","90","","90","","90","","7288.3","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H55 N2 Ni Si2 -","- C34 H55 N2 Ni Si2 -","- C272 H440 N16 Ni8 Si16 -","8","1","","Carl A. Laskowski; Donald J. Bungum; Steven M. Baldwin; Sarah A. Del Ciello; Vlad M. Iluc; Gregory L. Hillhouse","Synthesis and Reactivity of Two-Coordinate Ni(I) Alkyl and Aryl Complexes","Journal of the American Chemical Society","2013","135","","18272","18275","10.1021/ja4095236","","","0.71073","MoKα","","0.0525","0.043","","","0.1126","0.1168","","","","","","1.021","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121286","11.5681","0.0012","14.016","0.0015","29.664","0.003","90","","99.368","0.002","90","","4745.5","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H69 N2 Ni -","- C58 H69 N2 Ni -","- C232 H276 N8 Ni4 -","4","1","","Carl A. Laskowski; Donald J. Bungum; Steven M. Baldwin; Sarah A. Del Ciello; Vlad M. Iluc; Gregory L. Hillhouse","Synthesis and Reactivity of Two-Coordinate Ni(I) Alkyl and Aryl Complexes","Journal of the American Chemical Society","2013","135","","18272","18275","10.1021/ja4095236","","","0.71073","MoKα","","0.052","0.0435","","","0.1107","0.1142","","","","","","1.053","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121287","11.3465","0.0015","12.2307","0.0016","16.209","0.002","83.632","0.002","89.161","0.002","67.459","0.002","2063.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H64 N3 Ni Si2 -","- C39 H64 N3 Ni Si2 -","- C78 H128 N6 Ni2 Si4 -","2","1","","Carl A. Laskowski; Donald J. Bungum; Steven M. Baldwin; Sarah A. Del Ciello; Vlad M. Iluc; Gregory L. Hillhouse","Synthesis and Reactivity of Two-Coordinate Ni(I) Alkyl and Aryl Complexes","Journal of the American Chemical Society","2013","135","","18272","18275","10.1021/ja4095236","","","0.71073","MoKα","","0.0561","0.0477","","","0.1144","0.1182","","","","","","0.976","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121288","12.369","0.003","16.924","0.003","18.452","0.004","90","","108.08","0.03","90","","3671.9","1.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H58 Br N2 Ni Si2 -","- C37 H58 Br N2 Ni Si2 -","- C148 H232 Br4 N8 Ni4 Si8 -","4","1","","Carl A. Laskowski; Donald J. Bungum; Steven M. Baldwin; Sarah A. Del Ciello; Vlad M. Iluc; Gregory L. Hillhouse","Synthesis and Reactivity of Two-Coordinate Ni(I) Alkyl and Aryl Complexes","Journal of the American Chemical Society","2013","135","","18272","18275","10.1021/ja4095236","","","0.71073","MoKα","","0.1833","0.1001","","","0.1731","0.2028","","","","","","1.021","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121289","18.1986","0.0019","11.586","0.0012","24.841","0.003","90","","104.445","0.002","90","","5072.1","1","185","2","185","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H52 Br2 Mn3 N9 O12 S2 -","- C31 H52 Br2 Mn3 N9 O12 S2 -","- C124 H208 Br8 Mn12 N36 O48 S8 -","4","1","","Gang Wu; Jiaquan Bai; Yuan Jiang; Guanghua Li; Jian Huang; Yi Li; Christopher E. Anson; Annie K. Powell; Shilun Qiu","Rolling Up the Sheet: Constructing Metal-Organic Lamellae and Nanotubes from a [{Mn3(propanediolato)2}(dicyanamide)2]n Honeycomb Skeleton","Journal of the American Chemical Society","2013","135","","18276","18279","10.1021/ja409569q","","","0.71073","MoKα","","0.1146","0.0665","","","0.1737","0.1963","","","","","","1.032","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121290","18.4963","0.0011","11.5794","0.0007","24.7985","0.0014","90","","105.254","0.001","90","","5124.1","0.5","185","2","185","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 Br2 Mn3 N9 O12 S2 -","- C32 H54 Br2 Mn3 N9 O12 S2 -","- C128 H216 Br8 Mn12 N36 O48 S8 -","4","1","","Gang Wu; Jiaquan Bai; Yuan Jiang; Guanghua Li; Jian Huang; Yi Li; Christopher E. Anson; Annie K. Powell; Shilun Qiu","Rolling Up the Sheet: Constructing Metal-Organic Lamellae and Nanotubes from a [{Mn3(propanediolato)2}(dicyanamide)2]n Honeycomb Skeleton","Journal of the American Chemical Society","2013","135","","18276","18279","10.1021/ja409569q","","","0.71073","MoKα","","0.0869","0.052","","","0.14","0.1586","","","","","","1.032","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121291","18.5895","0.001","11.6162","0.0006","24.8024","0.0013","90","","105.457","0.001","90","","5162.1","0.5","185","2","185","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H56 Br2 Mn3 N9 O12 S2 -","- C33 H56 Br2 Mn3 N9 O12 S2 -","- C132 H224 Br8 Mn12 N36 O48 S8 -","4","1","","Gang Wu; Jiaquan Bai; Yuan Jiang; Guanghua Li; Jian Huang; Yi Li; Christopher E. Anson; Annie K. Powell; Shilun Qiu","Rolling Up the Sheet: Constructing Metal-Organic Lamellae and Nanotubes from a [{Mn3(propanediolato)2}(dicyanamide)2]n Honeycomb Skeleton","Journal of the American Chemical Society","2013","135","","18276","18279","10.1021/ja409569q","","","0.71073","MoKα","","0.1308","0.0694","","","0.1981","0.2333","","","","","","1.032","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121292","28.1886","0.0003","28.1886","0.0003","26.1977","0.0006","90","","90","","90","","20816.6","0.6","185","2","185","2","","","","","","","","7","P 4/n","-P 4a","85","","","","- C34 H60 Br2 Mn3 N9 O13 S2 -","- C31.75 H52.1 Br2 Mn3 N8.75 O12.1 S2 -","- C508 H833.6 Br32 Mn48 N140 O193.6 S32 -","16","","","Gang Wu; Jiaquan Bai; Yuan Jiang; Guanghua Li; Jian Huang; Yi Li; Christopher E. Anson; Annie K. Powell; Shilun Qiu","Rolling Up the Sheet: Constructing Metal-Organic Lamellae and Nanotubes from a [{Mn3(propanediolato)2}(dicyanamide)2]n Honeycomb Skeleton","Journal of the American Chemical Society","2013","135","","18276","18279","10.1021/ja409569q","","","0.71073","MoKα","","0.1271","0.0596","","","0.1416","0.1635","","","","","","0.95","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121293","9.1348","0.0016","10.404","0.002","13.375","0.003","103.609","0.017","94.386","0.016","108.491","0.017","1155.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H31 N O Si -","- C24 H31 N O Si -","- C48 H62 N2 O2 Si2 -","2","1","","Rong Zeng; Shangze Wu; Chunling Fu; Shengming Ma","Room-Temperature Synthesis of Trisubstituted Allenylsilanes via Regioselective C-H Functionalization","Journal of the American Chemical Society","2013","135","","18284","18287","10.1021/ja409861s","","","0.71073","MoKα","","0.1562","0.0934","","","0.2574","0.3161","","","","","","1.052","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121294","13.45","0.02","9.9","0.017","12.67","0.02","90","","114.3","0.03","90","","1538","4","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","161-1-B","","","- C20 H21 O2 -","- C20 H21 O2 -","- C80 H84 O8 -","4","1","","Filip R. Petronijević; Manuel Nappi; David W. C. MacMillan","Direct β-Functionalization of Cyclic Ketones with Aryl Ketones via the Merger of Photoredox and Organocatalysis","Journal of the American Chemical Society","2013","135","","18323","18326","10.1021/ja410478a","","","0.71073","","","0.0589","0.053","","","0.1564","0.1633","","","","","","1.037","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121295","9.318","0.003","16.115","0.006","10.684","0.004","90","","99.129","0.005","90","","1584","1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","152-2","","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Filip R. Petronijević; Manuel Nappi; David W. C. MacMillan","Direct β-Functionalization of Cyclic Ketones with Aryl Ketones via the Merger of Photoredox and Organocatalysis","Journal of the American Chemical Society","2013","135","","18323","18326","10.1021/ja410478a","","","1.54178","","","0.0367","0.0362","","","0.0865","0.0868","","","","","","1.052","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121296","17.1712","0.0004","14.6439","0.0003","8.7281","0.0001","90","","90","","90","","2194.71","0.07","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H40 N2 Si2 -","- C19 H40 N2 Si2 -","- C76 H160 N8 Si8 -","4","1","","Shigeyoshi Inoue; Carsten Eisenhut","A Dihydrodisilene Transition Metal Complex from an N-Heterocyclic Carbene-Stabilized Silylene Monohydride","Journal of the American Chemical Society","2013","135","","18315","18318","10.1021/ja410528y","","","1.54184","CuKα","","0.0449","0.0414","","","0.1109","0.1141","","","","","","1.051","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121297","12.5259","0.0003","23.4672","0.0007","31.3977","0.0009","90","","90","","90","","9229.3","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H80 N4 Ni Si4 -","- C38 H80 N4 Ni Si4 -","- C304 H640 N32 Ni8 Si32 -","8","1","","Shigeyoshi Inoue; Carsten Eisenhut","A Dihydrodisilene Transition Metal Complex from an N-Heterocyclic Carbene-Stabilized Silylene Monohydride","Journal of the American Chemical Society","2013","135","","18315","18318","10.1021/ja410528y","","","1.54184","CuKα","","0.0396","0.032","","","0.0797","0.0849","","","","","","1.021","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121298","8.8444","0.0016","15.2496","0.0024","12.7402","0.0023","89.935","0.019","110.35","0.003","89.9883","0.0026","1611.1","0.5","153.15","","153.15","","","","","","","","","4","P 1","P 1","1","","","","- B4 Be4 Na2 O11 -","- B4 Be4 Na2 O11 -","- B32 Be32 Na16 O88 -","8","8","","Hongwei Huang; Lijuan Liu; Shifeng Jin; Wenjiao Yao; Yihe Zhang; Chuangtian Chen","Deep-Ultraviolet Nonlinear Optical Materials: Na2Be4B4O11 and LiNa5Be12B12O33","Journal of the American Chemical Society","2013","135","","18319","18322","10.1021/ja410543w","","x-ray","0.71069","MoKα","","0.0406","0.0349","","","0.0408","0.043","","","","1.18","1.18","1.14","","","","has coordinates","286259","2023-09-07","06:04:45",""
"4121299","8.8552","0.0015","22.8039","0.0037","12.669","0.00022","90","","110.323","0.0016","90","","2399","0.6","143.15","0.02","143.15","0.02","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- B12 Be12 Li Na5 O33 -","- B12 Be12 Li Na5 O33 -","- B48 Be48 Li4 Na20 O132 -","4","2","","Hongwei Huang; Lijuan Liu; Shifeng Jin; Wenjiao Yao; Yihe Zhang; Chuangtian Chen","Deep-Ultraviolet Nonlinear Optical Materials: Na2Be4B4O11 and LiNa5Be12B12O33","Journal of the American Chemical Society","2013","135","","18319","18322","10.1021/ja410543w","","x-ray","0.71069","MoKα","","0.0557","0.0459","","","0.0481","0.0528","","","","1.2","1.2","1.19","","","","has coordinates","286259","2023-09-07","06:04:45",""
"4121300","28.882","0.003","7.1096","0.0006","8.0556","0.0007","90","","90","","90","","1654.1","0.3","130","2","130","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H20 S2 Si -","- C17 H20 S2 Si -","- C68 H80 S8 Si4 -","4","1","","Timothy A. Su; Jonathan R. Widawsky; Haixing Li; Rebekka S. Klausen; James L. Leighton; Michael L. Steigerwald; Latha Venkataraman; Colin Nuckolls","Silicon Ring Strain Creates High-Conductance Pathways in Single-Molecule Circuits","Journal of the American Chemical Society","2013","135","","18331","18334","10.1021/ja410656a","","","0.71073","MoKα","","0.0514","0.0408","","","0.0873","0.0913","","","","","","1.06","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121301","19.61","0.003","18.285","0.002","9.2215","0.0012","90","","90","","90","","3306.5","0.8","130","2","130","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C33 H46 N4 Si3 -","- C33 H46 N4 Si3 -","- C132 H184 N16 Si12 -","4","0.5","","Timothy A. Su; Jonathan R. Widawsky; Haixing Li; Rebekka S. Klausen; James L. Leighton; Michael L. Steigerwald; Latha Venkataraman; Colin Nuckolls","Silicon Ring Strain Creates High-Conductance Pathways in Single-Molecule Circuits","Journal of the American Chemical Society","2013","135","","18331","18334","10.1021/ja410656a","","","0.71073","MoKα","","0.1528","0.0655","","","0.163","0.2008","","","","","","1","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121302","6.6143","0.0006","16.613","0.0015","20.6633","0.0019","90","","90","","90","","2270.6","0.4","120","2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 F6 N2 O2 P Ru S -","- C19 H23 F6 N2 O2 P Ru S -","- C76 H92 F24 N8 O8 P4 Ru4 S4 -","4","1","","Barry M. Trost; Meera Rao; André P. Dieskau","A Chiral Sulfoxide-Ligated Ruthenium Complex for Asymmetric Catalysis: Enantio- and Regioselective Allylic Substitution","Journal of the American Chemical Society","2013","135","","18697","18704","10.1021/ja411310w","","","0.71073","MoKα","","0.0281","0.0258","","","0.0571","0.0592","","","","","","1.066","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121303","8.5304","0.0003","9.1085","0.0003","11.5135","0.0004","106.495","0.001","93.149","0.001","102.968","0.001","829.13","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 Co2 F4 P2 -","- C38 H36 Co2 F4 P2 -","- C38 H36 Co2 F4 P2 -","1","0.5","","Daniel J. Harrison; Graham M. Lee; Matthew C. Leclerc; Ilia Korobkov; R. Tom Baker","Cobalt Fluorocarbenes: Cycloaddition Reactions with Tetrafluoroethylene and Reactivity of the Perfluorometallacyclic Products","Journal of the American Chemical Society","2013","135","","18296","18299","10.1021/ja411503c","","","0.71073","MoKα","","0.0283","0.0244","","","0.0658","0.0683","","","","","","1.048","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121304","15.5609","0.0008","15.4738","0.0008","8.185","0.0004","90","","108.102","0.004","90","","1873.29","0.17","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H18 Co F4 P -","- C20 H18 Co F4 P -","- C80 H72 Co4 F16 P4 -","4","1","","Daniel J. Harrison; Graham M. Lee; Matthew C. Leclerc; Ilia Korobkov; R. Tom Baker","Cobalt Fluorocarbenes: Cycloaddition Reactions with Tetrafluoroethylene and Reactivity of the Perfluorometallacyclic Products","Journal of the American Chemical Society","2013","135","","18296","18299","10.1021/ja411503c","","","0.71073","MoKα","","0.0595","0.0502","","","0.1285","0.1349","","","","","","1.015","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121305","10.1591","0.0005","11.2991","0.0005","16.6717","0.0007","90","","90","","90","","1913.72","0.15","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Co F6 P -","- C21 H18 Co F6 P -","- C84 H72 Co4 F24 P4 -","4","1","","Daniel J. Harrison; Graham M. Lee; Matthew C. Leclerc; Ilia Korobkov; R. Tom Baker","Cobalt Fluorocarbenes: Cycloaddition Reactions with Tetrafluoroethylene and Reactivity of the Perfluorometallacyclic Products","Journal of the American Chemical Society","2013","135","","18296","18299","10.1021/ja411503c","","","0.71073","MoKα","","0.0633","0.0532","","","0.1266","0.1324","","","","","","1.068","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121306","11.8486","0.0002","11.8713","0.0002","13.5919","0.0002","97.185","0.001","95.637","0.001","118.436","0.001","1640.45","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 Co F8 P -","- C36 H34 Co F8 P -","- C72 H68 Co2 F16 P2 -","2","1","","Daniel J. Harrison; Graham M. Lee; Matthew C. Leclerc; Ilia Korobkov; R. Tom Baker","Cobalt Fluorocarbenes: Cycloaddition Reactions with Tetrafluoroethylene and Reactivity of the Perfluorometallacyclic Products","Journal of the American Chemical Society","2013","135","","18296","18299","10.1021/ja411503c","","","0.71073","MoKα","","0.0512","0.0423","","","0.1147","0.123","","","","","","1.016","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121307","8.7352","0.0005","9.6582","0.0005","13.2094","0.0007","101.287","0.003","100.155","0.003","102.663","0.003","1037.93","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 Br Co F5 P -","- C21 H15 Br Co F5 P -","- C42 H30 Br2 Co2 F10 P2 -","2","1","","Daniel J. Harrison; Graham M. Lee; Matthew C. Leclerc; Ilia Korobkov; R. Tom Baker","Cobalt Fluorocarbenes: Cycloaddition Reactions with Tetrafluoroethylene and Reactivity of the Perfluorometallacyclic Products","Journal of the American Chemical Society","2013","135","","18296","18299","10.1021/ja411503c","","","0.71073","MoKα","","0.1053","0.0667","","","0.1428","0.1639","","","","","","1.055","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121308","29.308","0.002","10.9928","0.0008","19.2936","0.0013","90","","112.929","0.002","90","","5724.8","0.7","200","2","200","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 Co F10 N O3 P S -","- C25 H21 Co F10 N O3 P S -","- C200 H168 Co8 F80 N8 O24 P8 S8 -","8","1","","Daniel J. Harrison; Graham M. Lee; Matthew C. Leclerc; Ilia Korobkov; R. Tom Baker","Cobalt Fluorocarbenes: Cycloaddition Reactions with Tetrafluoroethylene and Reactivity of the Perfluorometallacyclic Products","Journal of the American Chemical Society","2013","135","","18296","18299","10.1021/ja411503c","","","0.71073","MoKα","","0.0868","0.0505","","","0.1194","0.1371","","","","","","1.019","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121309","14.3265","0.0006","14.3265","0.0006","28.3752","0.0015","90","","90","","90","","5824","0.5","200","2","200","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C22 H28 Co2 F12 O6 P2 -","- C22 H28 Co2 F12 O6 P2 -","- C176 H224 Co16 F96 O48 P16 -","8","1","","Daniel J. Harrison; Graham M. Lee; Matthew C. Leclerc; Ilia Korobkov; R. Tom Baker","Cobalt Fluorocarbenes: Cycloaddition Reactions with Tetrafluoroethylene and Reactivity of the Perfluorometallacyclic Products","Journal of the American Chemical Society","2013","135","","18296","18299","10.1021/ja411503c","","","0.71073","MoKα","","0.0277","0.0251","","","0.0674","0.0697","","","","","","0.853","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121310","14.2716","0.0011","31.714","0.002","8.8844","0.0007","90","","90","","90","","4021.2","0.5","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C19 H17 F N3 O S3 Zn -","- C19 H17 F N3 O S3 Zn -","- C152 H136 F8 N24 O8 S24 Zn8 -","8","1","","Wesley Sattler; Serge Ruccolo; Gerard Parkin","Synthesis, Structure, and Reactivity of a Terminal Organozinc Fluoride Compound: Hydrogen Bonding, Halogen Bonding, and Donor-Acceptor Interactions","Journal of the American Chemical Society","2013","135","","18714","18717","10.1021/ja408733f","","","0.71073","MoKα","","0.04","0.0291","","","0.0683","0.0727","","","","","","1.041","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121311","14.3162","0.0009","13.2855","0.0008","9.0351","0.0006","90","","90","","90","","1718.46","0.19","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H12 F N3 S3 Zn -","- C16 H12 F N3 S3 Zn -","- C64 H48 F4 N12 S12 Zn4 -","4","0.5","","Wesley Sattler; Serge Ruccolo; Gerard Parkin","Synthesis, Structure, and Reactivity of a Terminal Organozinc Fluoride Compound: Hydrogen Bonding, Halogen Bonding, and Donor-Acceptor Interactions","Journal of the American Chemical Society","2013","135","","18714","18717","10.1021/ja408733f","","","0.71073","MoKα","","0.0284","0.023","","","0.0602","0.0623","","","","","","1.056","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121312","13.735","0.002","13.735","0.002","11.4476","0.0017","90","","90","","120","","1870.3","0.5","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C37 H15 B F16 N3 S3 Zn -","- C37.06 H15.06 B F16 N3 S3 Zn -","- C74.12 H30.12 B2 F32 N6 S6 Zn2 -","2","0.333333","","Wesley Sattler; Serge Ruccolo; Gerard Parkin","Synthesis, Structure, and Reactivity of a Terminal Organozinc Fluoride Compound: Hydrogen Bonding, Halogen Bonding, and Donor-Acceptor Interactions","Journal of the American Chemical Society","2013","135","","18714","18717","10.1021/ja408733f","","","0.71073","MoKα","","0.1362","0.0399","","","0.0698","0.1015","","","","","","1.12","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121313","18.93","0.011","31.767","0.019","44.19","0.03","90","","90","","90","","26574","3","213","2","213","2","","","","","","","","6","F 2 2 2","F 2 2","22","","","","- C76 H90 Cl2 Co2 N8 O4 -","- C76 H90 Cl2 Co2 N8 O4 -","- C608 H720 Cl16 Co16 N64 O32 -","8","0.5","","Syud M. Ahmed; Albert Poater; M. Ian Childers; Peter C. B. Widger; Anne M. LaPointe; Emil B. Lobkovsky; Geoffrey W. Coates; Luigi Cavallo","Enantioselective Polymerization of Epoxides Using Biaryl-Linked Bimetallic Cobalt Catalysts: A Mechanistic Study","Journal of the American Chemical Society","2013","135","","18901","18911","10.1021/ja409521z","","","0.71073","MoKα","","0.0842","0.0655","","","0.1556","0.1645","","","","","","0.994","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121314","11.2391","0.0005","26.7837","0.0014","35.8843","0.0017","90","","90","","90","","10802.1","0.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C104 H114 Cl2 Co2 N12 O4 -","- C104 H114 Cl2 Co2 N12 O4 -","- C416 H456 Cl8 Co8 N48 O16 -","4","1","","Syud M. Ahmed; Albert Poater; M. Ian Childers; Peter C. B. Widger; Anne M. LaPointe; Emil B. Lobkovsky; Geoffrey W. Coates; Luigi Cavallo","Enantioselective Polymerization of Epoxides Using Biaryl-Linked Bimetallic Cobalt Catalysts: A Mechanistic Study","Journal of the American Chemical Society","2013","135","","18901","18911","10.1021/ja409521z","","","0.71073","MoKα","","0.0854","0.0559","","","0.127","0.1386","","","","","","0.98","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121315","12.87","0.03","18.89","0.04","19.99","0.03","90","","89.94","0.04","90","","4860","17","243.15","","243","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H67 Ir Li O4 P -","- C50 H67 Ir Li O4 P -","- C200 H268 Ir4 Li4 O16 P4 -","4","1","","Shuhei Kusumoto; Midori Akiyama; Kyoko Nozaki","Acceptorless Dehydrogenation of C-C Single Bonds Adjacent to Functional Groups by Metal-Ligand Cooperation","Journal of the American Chemical Society","2013","135","","18726","18729","10.1021/ja409672w","","","0.71075","MoKα","","0.1097","0.0612","","","0.1502","0.1828","","","","","","1.059","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121316","31.051","0.007","12.151","0.002","24.288","0.005","90","","119.334","0.005","90","","7989","3","93.15","","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H60 Ir O3 P -","- C46 H60 Ir O3 P -","- C368 H480 Ir8 O24 P8 -","8","1","","Shuhei Kusumoto; Midori Akiyama; Kyoko Nozaki","Acceptorless Dehydrogenation of C-C Single Bonds Adjacent to Functional Groups by Metal-Ligand Cooperation","Journal of the American Chemical Society","2013","135","","18726","18729","10.1021/ja409672w","","","0.71075","MoKα","","0.094","0.077","","","0.1204","0.1282","","","","","","1.17","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121317","11.6456","0.0017","34.888","0.005","16.163","0.002","90","","90.683","0.002","90","","6566.4","1.6","243","","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H88 Ir2 O2 P2 -","- C76 H88 Ir2 O2 P2 -","- C304 H352 Ir8 O8 P8 -","4","1","","Shuhei Kusumoto; Midori Akiyama; Kyoko Nozaki","Acceptorless Dehydrogenation of C-C Single Bonds Adjacent to Functional Groups by Metal-Ligand Cooperation","Journal of the American Chemical Society","2013","135","","18726","18729","10.1021/ja409672w","","","0.71075","MoKα","","0.0698","0.0494","","","0.0759","0.0826","","","","","","1.088","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121318","11.3447","0.0019","20.405","0.003","16.752","0.003","90","","102.731","0.002","90","","3782.6","1.1","93","","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 Ir O P Si -","- C41 H52 Ir O P Si -","- C164 H208 Ir4 O4 P4 Si4 -","4","1","","Shuhei Kusumoto; Midori Akiyama; Kyoko Nozaki","Acceptorless Dehydrogenation of C-C Single Bonds Adjacent to Functional Groups by Metal-Ligand Cooperation","Journal of the American Chemical Society","2013","135","","18726","18729","10.1021/ja409672w","","","0.71075","MoKα","","0.0357","0.0302","","","0.0684","0.0729","","","","","","0.79","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121319","11.431","0.003","20.525","0.006","16.928","0.005","90","","102.912","0.004","90","","3871.2","1.9","243","","243","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H52 Ir O P Si -","- C41 H52 Ir O P Si -","- C164 H208 Ir4 O4 P4 Si4 -","4","1","","Shuhei Kusumoto; Midori Akiyama; Kyoko Nozaki","Acceptorless Dehydrogenation of C-C Single Bonds Adjacent to Functional Groups by Metal-Ligand Cooperation","Journal of the American Chemical Society","2013","135","","18726","18729","10.1021/ja409672w","","","0.71075","MoKα","","0.0787","0.0649","","","0.1346","0.1413","","","","","","1.241","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121320","10.879","0.002","14.752","0.003","13.038","0.002","90","","107.943","0.002","90","","1990.7","0.6","93","","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H38 Ir P -","- C19 H38 Ir P -","- C76 H152 Ir4 P4 -","4","1","","Shuhei Kusumoto; Midori Akiyama; Kyoko Nozaki","Acceptorless Dehydrogenation of C-C Single Bonds Adjacent to Functional Groups by Metal-Ligand Cooperation","Journal of the American Chemical Society","2013","135","","18726","18729","10.1021/ja409672w","","","0.71075","MoKα","","0.0243","0.0231","","","0.0553","0.0561","","","","","","1.087","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121321","16.7125","0.0002","13.9033","0.0002","18.0625","0.0002","90","","94.303","0.001","90","","4185.15","0.09","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 Co4 N4 O17 -","- C32 H44 Co4 N4 O17 -","- C128 H176 Co16 N16 O68 -","4","1","","Fabio Evangelisti; Robin Güttinger; René Moré; Sandra Luber; Greta R. Patzke","Closer to Photosystem II: A Co4O4 Cubane Catalyst with Flexible Ligand Architecture","Journal of the American Chemical Society","2013","135","","18734","18737","10.1021/ja4098302","","","1.5418","CuKα","","0.0567","0.0415","","","0.1085","0.1154","","","","","","1.031","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121322","8.7189","0.0008","10.0982","0.0009","27.516","0.003","90","","90","","90","","2422.7","0.4","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 B10 Si -","- C19 H36 B10 Si -","- C76 H144 B40 Si4 -","4","1","","Yangjian Quan; Jiji Zhang; Zuowei Xie","Three-Component [2+2+1] Cross-cyclotrimerization of Carboryne, Unactivated Alkene, and Trimethylsilylalkyne Co-mediated by Zr and Ni","Journal of the American Chemical Society","2013","135","","18742","18745","10.1021/ja410233e","","","0.71073","MoKα","","0.0444","0.0404","","","0.1086","0.1117","","","","","","1.033","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121323","14.346","0.002","10.9147","0.0017","17.845","0.003","90","","113.472","0.003","90","","2563","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 B10 Si -","- C20 H38 B10 Si -","- C80 H152 B40 Si4 -","4","1","","Yangjian Quan; Jiji Zhang; Zuowei Xie","Three-Component [2+2+1] Cross-cyclotrimerization of Carboryne, Unactivated Alkene, and Trimethylsilylalkyne Co-mediated by Zr and Ni","Journal of the American Chemical Society","2013","135","","18742","18745","10.1021/ja410233e","","","0.71073","MoKα","","0.1347","0.0783","","","0.1999","0.241","","","","","","1.031","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121324","30.987","0.004","7.1481","0.0009","24.505","0.003","90","","98.023","0.003","90","","5374.7","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H35 B10 F3 Si -","- C20 H35 B10 F3 Si -","- C160 H280 B80 F24 Si8 -","8","1","","Yangjian Quan; Jiji Zhang; Zuowei Xie","Three-Component [2+2+1] Cross-cyclotrimerization of Carboryne, Unactivated Alkene, and Trimethylsilylalkyne Co-mediated by Zr and Ni","Journal of the American Chemical Society","2013","135","","18742","18745","10.1021/ja410233e","","","0.71073","MoKα","","0.1218","0.0693","","","0.1771","0.217","","","","","","1.031","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121325","20.303","0.003","10.0272","0.0016","13.974","0.002","90","","100.98","0.004","90","","2792.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 B10 Si -","- C21 H39 B10 Si -","- C84 H156 B40 Si4 -","4","1","","Yangjian Quan; Jiji Zhang; Zuowei Xie","Three-Component [2+2+1] Cross-cyclotrimerization of Carboryne, Unactivated Alkene, and Trimethylsilylalkyne Co-mediated by Zr and Ni","Journal of the American Chemical Society","2013","135","","18742","18745","10.1021/ja410233e","","","0.71073","MoKα","","0.2592","0.1156","","","0.3013","0.3921","","","","","","1.024","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121326","7.698","0.002","8.822","0.003","20.149","0.006","94.947","0.005","91.027","0.005","110.034","0.005","1279.1","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H30 B10 F5 Si -","- C19 H30 B10 F5 Si -","- C38 H60 B20 F10 Si2 -","2","1","","Yangjian Quan; Jiji Zhang; Zuowei Xie","Three-Component [2+2+1] Cross-cyclotrimerization of Carboryne, Unactivated Alkene, and Trimethylsilylalkyne Co-mediated by Zr and Ni","Journal of the American Chemical Society","2013","135","","18742","18745","10.1021/ja410233e","","","0.71073","MoKα","","0.1506","0.1064","","","0.2721","0.3204","","","","","","1.023","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121327","13.8786","0.0017","8.7325","0.0011","19.944","0.003","90","","93.428","0.002","90","","2412.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H34 B10 S Si -","- C17 H34 B10 S Si -","- C68 H136 B40 S4 Si4 -","4","1","","Yangjian Quan; Jiji Zhang; Zuowei Xie","Three-Component [2+2+1] Cross-cyclotrimerization of Carboryne, Unactivated Alkene, and Trimethylsilylalkyne Co-mediated by Zr and Ni","Journal of the American Chemical Society","2013","135","","18742","18745","10.1021/ja410233e","","","0.71073","MoKα","","0.152","0.1196","","","0.3344","0.3719","","","","","","1.391","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121328","40.858","0.002","6.6959","0.0003","9.2019","0.0005","90","","90","","90","","2517.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H40 B10 Si2 -","- C16 H40 B10 Si2 -","- C64 H160 B40 Si8 -","4","1","","Yangjian Quan; Jiji Zhang; Zuowei Xie","Three-Component [2+2+1] Cross-cyclotrimerization of Carboryne, Unactivated Alkene, and Trimethylsilylalkyne Co-mediated by Zr and Ni","Journal of the American Chemical Society","2013","135","","18742","18745","10.1021/ja410233e","","","0.71073","MoKα","","0.0755","0.0645","","","0.1816","0.1928","","","","","","1.094","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121329","13.6375","0.0018","13.2534","0.0018","14.506","0.002","90","","108.952","0.003","90","","2479.7","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 B10 Si -","- C18 H34 B10 Si -","- C72 H136 B40 Si4 -","4","1","","Yangjian Quan; Jiji Zhang; Zuowei Xie","Three-Component [2+2+1] Cross-cyclotrimerization of Carboryne, Unactivated Alkene, and Trimethylsilylalkyne Co-mediated by Zr and Ni","Journal of the American Chemical Society","2013","135","","18742","18745","10.1021/ja410233e","","","0.71073","MoKα","","0.1195","0.0889","","","0.2366","0.2663","","","","","","1.017","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121330","6.081","0.0007","34.245","0.004","7.4405","0.0009","90","","99.28","0.009","90","","1529.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H32 N8 O7 -","- C32 H32 N8 O7 -","- C64 H64 N16 O14 -","2","1","","Si-Wei Zhang; Michelle T. Harasimowicz; Melgardt M. de Villiers; Lian Yu","Cocrystals of Nicotinamide and (R)-Mandelic Acid in Many Ratios with Anomalous Formation Properties","Journal of the American Chemical Society","2013","135","","18981","18989","10.1021/ja4103887","","","1.54178","CuKα","","0.0542","0.0472","","","0.1151","0.119","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121331","8.377","0.004","5.859","0.002","15.047","0.005","90","","103.08","0.02","90","","719.4","0.5","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","2","","Si-Wei Zhang; Michelle T. Harasimowicz; Melgardt M. de Villiers; Lian Yu","Cocrystals of Nicotinamide and (R)-Mandelic Acid in Many Ratios with Anomalous Formation Properties","Journal of the American Chemical Society","2013","135","","18981","18989","10.1021/ja4103887","","x-ray","1.54178","CuKα","K-L~3~","0.0314","0.0284","","","0.0768","0.0802","","","","","","1.046","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4121332","9.8938","0.0011","11.3371","0.0013","24.318","0.003","86.787","0.007","83.279","0.006","80.303","0.006","2668.4","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H41 Cl N O1.5 -","- C30 H41 Cl N O1.5 -","- C120 H164 Cl4 N4 O6 -","4","2","","Janell K. Mahoney; David Martin; Curtis E. Moore; Arnold L. Rheingold; Guy Bertrand","Bottleable (Amino)(Carboxy) Radicals Derived from Cyclic (Alkyl)(Amino) Carbenes","Journal of the American Chemical Society","2013","135","","18766","18769","10.1021/ja4104765","","x-ray","0.71073","MoKα","K-L~3~","0.0623","0.0415","","","0.0879","0.0986","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121333","10.3069","0.0008","13.2296","0.0011","13.2731","0.001","108.688","0.002","103.093","0.002","106.689","0.002","1537.7","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H82 Cl10 N2 O2 -","- C56 H82 Cl10 N2 O2 -","- C56 H82 Cl10 N2 O2 -","1","0.5","","Janell K. Mahoney; David Martin; Curtis E. Moore; Arnold L. Rheingold; Guy Bertrand","Bottleable (Amino)(Carboxy) Radicals Derived from Cyclic (Alkyl)(Amino) Carbenes","Journal of the American Chemical Society","2013","135","","18766","18769","10.1021/ja4104765","","x-ray","0.71073","MoKα","K-L~3~","0.0838","0.0487","","","0.1063","0.1207","","","","","","1.034","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121334","12.4627","0.0012","14.7071","0.0018","27.878","0.003","90","","95.428","0.005","90","","5086.9","1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 N O -","- C30 H40 N O -","- C240 H320 N8 O8 -","8","2","","Janell K. Mahoney; David Martin; Curtis E. Moore; Arnold L. Rheingold; Guy Bertrand","Bottleable (Amino)(Carboxy) Radicals Derived from Cyclic (Alkyl)(Amino) Carbenes","Journal of the American Chemical Society","2013","135","","18766","18769","10.1021/ja4104765","","x-ray","0.71073","MoKα","K-L~3~","0.0853","0.0477","","","0.0944","0.1086","","","","","","1.007","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121335","14.936","0.008","11.904","0.008","34.07","0.02","90","","96.695","0.014","90","","6016","6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H82 Cl8 N2 O2 -","- C56 H82 Cl8 N2 O2 -","- C224 H328 Cl32 N8 O8 -","4","0.5","","Janell K. Mahoney; David Martin; Curtis E. Moore; Arnold L. Rheingold; Guy Bertrand","Bottleable (Amino)(Carboxy) Radicals Derived from Cyclic (Alkyl)(Amino) Carbenes","Journal of the American Chemical Society","2013","135","","18766","18769","10.1021/ja4104765","","x-ray","0.71073","MoKα","K-L~3~","0.1869","0.122","","","0.3416","0.3818","","","","","","1.31","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121336","11.6366","0.0005","29.7863","0.0013","23.7121","0.001","90","","90.466","0.002","90","","8218.6","0.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H118 Cl10 N3 O3 -","- C80 H118 Cl10 N3 O3 -","- C320 H472 Cl40 N12 O12 -","4","1","","Janell K. Mahoney; David Martin; Curtis E. Moore; Arnold L. Rheingold; Guy Bertrand","Bottleable (Amino)(Carboxy) Radicals Derived from Cyclic (Alkyl)(Amino) Carbenes","Journal of the American Chemical Society","2013","135","","18766","18769","10.1021/ja4104765","","x-ray","0.71073","MoKα","K-L~3~","0.129","0.0716","","","0.1785","0.2135","","","","","","1.025","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121337","12.6557","0.0014","12.6784","0.0014","13.718","0.003","100.654","0.006","115.768","0.005","106.263","0.005","1779.2","0.5","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H29 B2 F8 Fe N9 O -","- C28 H27 B2 F8 Fe N9 -","- C56 H54 B4 F16 Fe2 N18 -","2","1","","Chih-Chin Tsou; Wan-Lin Yang; Wen-Feng Liaw","Nitrite Activation to Nitric Oxide via One-fold Protonation of Iron(II)-O,O-nitrito Complex: Relevance to the Nitrite Reductase Activity of Deoxyhemoglobin and Deoxyhemerythrin","Journal of the American Chemical Society","2013","135","","18758","18761","10.1021/ja4105864","","","0.71073","MoKα","","0.1499","0.077","","","0.2094","0.2298","","","","","","1.054","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121338","11.444","0.008","13.299","0.01","14.486","0.01","72.599","0.012","67.669","0.011","67.909","0.011","1858","2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H30 B2 F8 Fe N11 O -","- C30 H30 B2 F8 Fe N11 O -","- C60 H60 B4 F16 Fe2 N22 O2 -","2","1","","Chih-Chin Tsou; Wan-Lin Yang; Wen-Feng Liaw","Nitrite Activation to Nitric Oxide via One-fold Protonation of Iron(II)-O,O-nitrito Complex: Relevance to the Nitrite Reductase Activity of Deoxyhemoglobin and Deoxyhemerythrin","Journal of the American Chemical Society","2013","135","","18758","18761","10.1021/ja4105864","","","0.71073","MoKα","","0.1568","0.0837","","","0.1979","0.2388","","","","","","1.038","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121339","12.64","0.002","13.899","0.003","13.955","0.002","68.84","0.005","72.286","0.004","86.501","0.005","2174.7","0.7","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H45 B F4 Fe N8 O5 -","- C36 H45 B F4 Fe N8 O5 -","- C72 H90 B2 F8 Fe2 N16 O10 -","2","1","","Chih-Chin Tsou; Wan-Lin Yang; Wen-Feng Liaw","Nitrite Activation to Nitric Oxide via One-fold Protonation of Iron(II)-O,O-nitrito Complex: Relevance to the Nitrite Reductase Activity of Deoxyhemoglobin and Deoxyhemerythrin","Journal of the American Chemical Society","2013","135","","18758","18761","10.1021/ja4105864","","","0.71073","MoKα","","0.1214","0.0786","","","0.2343","0.2653","","","","","","1.089","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121340","10.5608","0.0002","11.7145","0.0002","12.1361","0.0002","97.474","0.001","96.418","0.001","102.415","0.001","1438.62","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H21 B F4 Fe N10 O3 -","- C26 H21 B F4 Fe N10 O3 -","- C52 H42 B2 F8 Fe2 N20 O6 -","2","1","","Chih-Chin Tsou; Wan-Lin Yang; Wen-Feng Liaw","Nitrite Activation to Nitric Oxide via One-fold Protonation of Iron(II)-O,O-nitrito Complex: Relevance to the Nitrite Reductase Activity of Deoxyhemoglobin and Deoxyhemerythrin","Journal of the American Chemical Society","2013","135","","18758","18761","10.1021/ja4105864","","","0.71073","MoKα","","0.0358","0.031","","","0.0815","0.0845","","","","","","1.049","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121341","12.723","0.002","15.038","0.003","17.505","0.003","87.696","0.007","87.126","0.008","68.291","0.007","3106.9","1","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H54 B3 F12 Fe2 N17 O3 -","- C54 H51 B3 F12 Fe2 N16 O3 -","- C108 H102 B6 F24 Fe4 N32 O6 -","2","1","","Chih-Chin Tsou; Wan-Lin Yang; Wen-Feng Liaw","Nitrite Activation to Nitric Oxide via One-fold Protonation of Iron(II)-O,O-nitrito Complex: Relevance to the Nitrite Reductase Activity of Deoxyhemoglobin and Deoxyhemerythrin","Journal of the American Chemical Society","2013","135","","18758","18761","10.1021/ja4105864","","","0.71073","MoKα","","0.1712","0.0904","","","0.2218","0.2462","","","","","","1.108","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121342","18.5177","0.0017","13.1599","0.0012","19.8179","0.0018","90","","105.801","0.002","90","","4647","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H63 F N2 O4 W -","- C54 H63 F N2 O4 W -","- C216 H252 F4 N8 O16 W4 -","4","1","","Yanchuan Zhao; Timothy M. Swager","Detection and Differentiation of Neutral Organic Compounds by 19F NMR with a Tungsten Calix[4]arene Imido Complex","Journal of the American Chemical Society","2013","135","","18770","18773","10.1021/ja4106804","","","0.71073","MoKα","","0.021","0.0174","","","0.0411","0.0425","","","","","","1.032","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121343","15.0951","0.0004","15.0951","0.0004","19.9811","0.0008","90","","90","","120","","3943","0.2","143","1","143","1","","","","","","","","7","P 63","P 6c","173","","","","- C72 H72 Ce I Li3 N6 O6 -","- C72 H72 Ce I Li3 N6 O6 -","- C144 H144 Ce2 I2 Li6 N12 O12 -","2","0.333333","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.1019","0.0554","","","0.131","0.1436","","","","","","0.995","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121344","15.133","0.0005","15.133","0.0005","19.5974","0.0009","90","","90","","120","","3886.7","0.3","143","1","143","1","","","","","","","","7","P 63","P 6c","173","","","","- C72 H72 Br Ce Li3 N6 O6 -","- C72 H72 Br Ce Li3 N6 O6 -","- C144 H144 Br2 Ce2 Li6 N12 O12 -","2","0.333333","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.1342","0.1022","","","0.2571","0.269","","","","","","1.137","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121345","15.1153","0.0007","29.8987","0.0014","17.6866","0.0007","90","","105.789","0.002","90","","7691.5","0.6","143","1","143","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C72 H72 Ce Cl Li3 N6 O6 -","- C72 H72 Ce Cl Li3 N6 O6 -","- C288 H288 Ce4 Cl4 Li12 N24 O24 -","4","2","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0695","0.0567","","","0.1462","0.1534","","","","","","1.061","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121346","20.0895","0.0011","20.0895","0.0011","23.6913","0.0013","90","","90","","90","","9561.5","0.9","143","1","143","1","","","","","","","","5","P 41","P 4w","76","","","","- C102 H96 Ce K2 O12 -","- C102 H96 Ce K2 O12 -","- C408 H384 Ce4 K8 O48 -","4","1","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0547","0.0395","","","0.0812","0.0857","","","","","","0.968","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121347","21.2574","0.0016","15.4522","0.0011","22.0986","0.0016","90","","117.814","0.003","90","","6420.2","0.8","143","1","143","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H72 Ce Li3 N6 O6 -","- C72 H72 Ce Li3 N6 O6 -","- C288 H288 Ce4 Li12 N24 O24 -","4","1","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0651","0.0597","","","0.1628","0.1658","","","","","","1.085","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121348","16.5797","0.0007","16.5797","0.0007","36.2517","0.0016","90","","90","","120","","8630","0.6","143","1","143","1","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C60 H36 Ce Cs2 O6 -","- C60 H36 Ce Cs2 O6 -","- C360 H216 Ce6 Cs12 O36 -","6","0.5","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0941","0.0861","","","0.1864","0.1898","","","","","","1.227","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121349","15.6632","0.0007","19.7465","0.0009","26.1329","0.0013","90","","90","","90","","8082.7","0.7","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C92 H95 Ce Li3 O17 -","- C92 H95 Ce Li3 O17 -","- C368 H380 Ce4 Li12 O68 -","4","1","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0769","0.0476","","","0.1007","0.1123","","","","","","1.044","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121350","25.0846","0.0012","11.535","0.0005","28.3393","0.0013","90","","111.048","0.002","90","","7652.9","0.6","143","1","143","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C81 H76 Ce Li3 N O11 S -","- C81 H76 Ce Li3 N O11 S -","- C324 H304 Ce4 Li12 N4 O44 S4 -","4","2","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0449","0.0408","","","0.1055","0.1081","","","","","","0.888","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121351","24.9724","0.0011","11.3739","0.0005","28.3222","0.0012","90","","111.236","0.002","90","","7498.2","0.6","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H76 Ce Li3 N3 O11 -","- C80 H76 Ce Li3 N3 O11 -","- C320 H304 Ce4 Li12 N12 O44 -","4","2","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0615","0.0449","","","0.093","0.0978","","","","","","1.011","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121352","15.5152","0.0014","21.337","0.002","26.22","0.003","90","","90","","90","","8680.1","1.5","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C99 H103 Ce Li3 O15 P -","- C99 H103 Ce Li3 O15 P -","- C396 H412 Ce4 Li12 O60 P4 -","4","1","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0382","0.0325","","","0.0823","0.0864","","","","","","1.053","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121353","14.46","0.002","14.456","0.002","25.908","0.004","86.959","0.006","84.638","0.006","68.076","0.005","5001","1.3","143","1","143","1","","","","","","","","6","P 1","P 1","1","","","","- C114.5 H104 Ce Li3 O12 P2 -","- C114.5 H104 Ce Li3 O12 P2 -","- C229 H208 Ce2 Li6 O24 P4 -","2","2","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.037","0.0347","","","0.0899","0.0913","","","","","","1.081","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121354","10.3126","0.0007","11.7478","0.0008","15.7614","0.0011","101.007","0.001","96.918","0.001","92.577","0.001","1856.2","0.2","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H59 Cl P2 Ru Si2 -","- C35 H59 Cl P2 Ru Si2 -","- C70 H118 Cl2 P4 Ru2 Si4 -","2","1","","María J. Bernal; Olga Torres; Marta Martín; Eduardo Sola","Reversible Insertion of Carbenes into Ruthenium-Silicon Bonds","Journal of the American Chemical Society","2013","135","","19008","19015","10.1021/ja410822p","","","0.71073","MoKα","","0.0396","0.0313","","","0.0682","0.0717","","","","","","0.989","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121355","10.7041","0.0015","47.995","0.007","11.3362","0.0016","90","","106.13","0.002","90","","5594.6","1.4","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53.5 H82 Cl2 P4 Ru2 Si2 -","- C53.5 H82 Cl2 P4 Ru2 Si2 -","- C214 H328 Cl8 P16 Ru8 Si8 -","4","1","","María J. Bernal; Olga Torres; Marta Martín; Eduardo Sola","Reversible Insertion of Carbenes into Ruthenium-Silicon Bonds","Journal of the American Chemical Society","2013","135","","19008","19015","10.1021/ja410822p","","","0.71073","MoKα","","0.0681","0.0368","","","0.0596","0.065","","","","","","0.845","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121356","14.422","0.002","15.902","0.002","13.8473","0.0019","90","","91.731","0.002","90","","3174.3","0.7","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 Cl P2 Ru Si -","- C33 H45 Cl P2 Ru Si -","- C132 H180 Cl4 P8 Ru4 Si4 -","4","1","","María J. Bernal; Olga Torres; Marta Martín; Eduardo Sola","Reversible Insertion of Carbenes into Ruthenium-Silicon Bonds","Journal of the American Chemical Society","2013","135","","19008","19015","10.1021/ja410822p","","","0.71073","MoKα","","0.092","0.0412","","","0.0608","0.07","","","","","","0.802","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121357","9.529","0.003","9.891","0.004","15.47","0.006","90.93","0.005","94.619","0.005","110.277","0.004","1361.7","0.9","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H39 Cl O P2 Ru Si -","- C26 H39 Cl O P2 Ru Si -","- C52 H78 Cl2 O2 P4 Ru2 Si2 -","2","1","","María J. Bernal; Olga Torres; Marta Martín; Eduardo Sola","Reversible Insertion of Carbenes into Ruthenium-Silicon Bonds","Journal of the American Chemical Society","2013","135","","19008","19015","10.1021/ja410822p","","","0.71073","MoKα","","0.0965","0.0702","","","0.1788","0.1943","","","","","","1.035","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121358","11.4424","0.0005","18.9456","0.0008","33.3086","0.0015","90","","93.922","0.001","90","","7203.8","0.5","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H56 O2 P2 Ru Si2 -","- C34 H56 O2 P2 Ru Si2 -","- C272 H448 O16 P16 Ru8 Si16 -","8","1","","María J. Bernal; Olga Torres; Marta Martín; Eduardo Sola","Reversible Insertion of Carbenes into Ruthenium-Silicon Bonds","Journal of the American Chemical Society","2013","135","","19008","19015","10.1021/ja410822p","","","0.71073","MoKα","","0.0344","0.0305","","","0.0705","0.0726","","","","","","1.101","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121359","30.152","0.009","30.764","0.009","44.449","0.013","90","","90","","90","","41231","2","93","","93","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C1648 H1024 N192 O232 S64 Zn48 -","- C1648 H912 N192 O232 S64 Zn48 -","- C1648 H912 N192 O232 S64 Zn48 -","1","0.125","","Takashi Nakamura; Hitoshi Ube; Ryosuke Miyake; Mitsuhiko Shionoya","A C60-Templated Tetrameric Porphyrin Barrel Complex via Zinc-Mediated Self-Assembly Utilizing Labile Capping Ligands","Journal of the American Chemical Society","2013","135","","18790","18793","10.1021/ja4110446","","","0.71073","MoKα","","0.2513","0.1887","","","0.4575","0.4982","","","","","","1.767","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121360","18.7373","0.0019","7.5768","0.0008","20.604","0.002","90","","114.173","0.002","90","","2668.6","0.5","100","","100","","","","","","","","dichloromethane,hexane","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O4 -","- C16 H16 O4 -","- C128 H128 O32 -","8","2","","Javier Carreras; Gopinadhanpillai Gopakumar; Liangu Gu; Ana Gimeno; Pawel Linowski; Jekaterina Petuškova; Walter Thiel; Manuel Alcarazo","Polycationic Ligands in Gold Catalysis: Synthesis and Applications of Extremely π-Acidic Catalysts","Journal of the American Chemical Society","2013","135","","18815","18823","10.1021/ja411146x","","","0.71073","MoKα","","0.0825","0.0783","","","0.2149","0.2178","","","","","","1.165","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121361","8.9259","0.0003","12.5274","0.0011","16.0569","0.001","90","","105.646","0.005","90","","1728.9","0.2","100","","100","","","","","","","","dichloromethane,pentane","2","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","Javier Carreras; Gopinadhanpillai Gopakumar; Liangu Gu; Ana Gimeno; Pawel Linowski; Jekaterina Petuškova; Walter Thiel; Manuel Alcarazo","Polycationic Ligands in Gold Catalysis: Synthesis and Applications of Extremely π-Acidic Catalysts","Journal of the American Chemical Society","2013","135","","18815","18823","10.1021/ja411146x","","","0.71073","MoKα","","0.06","0.046","","","0.1293","0.1381","","","","","","1.115","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121362","15.4509","0.0005","10.9866","0.0012","19.235","0.003","90","","104.463","0.008","90","","3161.7","0.6","100","","100","","","","","","","","methanol","2","C 1 c 1","C -2yc","9","","","","- C24 H16 -","- C24 H16 -","- C192 H128 -","8","2","","Javier Carreras; Gopinadhanpillai Gopakumar; Liangu Gu; Ana Gimeno; Pawel Linowski; Jekaterina Petuškova; Walter Thiel; Manuel Alcarazo","Polycationic Ligands in Gold Catalysis: Synthesis and Applications of Extremely π-Acidic Catalysts","Journal of the American Chemical Society","2013","135","","18815","18823","10.1021/ja411146x","","","0.71073","MoKα","","0.0763","0.0575","","","0.1487","0.1645","","","","","","1.121","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121363","8.309","0.0008","8.0817","0.0007","8.705","0.0008","90","","108.227","0.001","90","","555.22","0.09","100","","100","","","","","","","","methanol","2","P 1 21 1","P 2yb","4","","","","- C16 H14 -","- C16 H14 -","- C32 H28 -","2","1","","Javier Carreras; Gopinadhanpillai Gopakumar; Liangu Gu; Ana Gimeno; Pawel Linowski; Jekaterina Petuškova; Walter Thiel; Manuel Alcarazo","Polycationic Ligands in Gold Catalysis: Synthesis and Applications of Extremely π-Acidic Catalysts","Journal of the American Chemical Society","2013","135","","18815","18823","10.1021/ja411146x","","","0.71073","Mo-Kα","","0.0381","0.036","","","0.1003","0.1029","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121364","25.819","0.003","15.859","0.002","25.45","0.002","90","","113.707","0.006","90","","9541.5","1.9","200","","200","","","","","","","","chloroform,pentane","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H61.5 B Cl6 F4 N4 P Pt -","- C37 H61.5 B Cl6 F4 N4 P Pt -","- C296 H492 B8 Cl48 F32 N32 P8 Pt8 -","8","2","","Javier Carreras; Gopinadhanpillai Gopakumar; Liangu Gu; Ana Gimeno; Pawel Linowski; Jekaterina Petuškova; Walter Thiel; Manuel Alcarazo","Polycationic Ligands in Gold Catalysis: Synthesis and Applications of Extremely π-Acidic Catalysts","Journal of the American Chemical Society","2013","135","","18815","18823","10.1021/ja411146x","","","0.71073","MoKα","","0.0969","0.0822","","","0.2045","0.2135","","","","","","1.208","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121365","45.8483","0.0014","11.6679","0.0003","15.3567","0.0005","90","","90","","90","","8215.1","0.4","100","","100","","","","","","","","dichloromethane/diethylether","6","P b c n","-P 2n 2ab","60","","PTA-PB-166-03_7279","","- C36 H61 B2 F8 N4 P -","- C36 H61 B2 F8 N4 P -","- C288 H488 B16 F64 N32 P8 -","8","1","","Javier Carreras; Gopinadhanpillai Gopakumar; Liangu Gu; Ana Gimeno; Pawel Linowski; Jekaterina Petuškova; Walter Thiel; Manuel Alcarazo","Polycationic Ligands in Gold Catalysis: Synthesis and Applications of Extremely π-Acidic Catalysts","Journal of the American Chemical Society","2013","135","","18815","18823","10.1021/ja411146x","","","1.54178","Cu-Kα","","0.0895","0.0794","","","0.1689","0.1718","","","","","","2.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121366","25.5125","0.0013","25.5125","0.0013","67.262","0.004","90","","90","","120","","37915","4","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","R-Ga4-CZ","toste73","","- C444 H672 Ga4 K12 N24 O102 -","- C228 H240 Ga4 N24 O48 -","- C684 H720 Ga12 N72 O144 -","3","0.333333","","Chen Zhao; Qing-Fu Sun; William M. Hart-Cooper; Antonio G. DiPasquale; F. Dean Toste; Robert G. Bergman; Kenneth N. Raymond","Chiral Amide Directed Assembly of a Diastereo- and Enantiopure Supramolecular Host and its Application to Enantioselective Catalysis of Neutral Substrates","Journal of the American Chemical Society","2013","135","","18802","18805","10.1021/ja411631v","","","1.54178","CuKα","","0.0952","0.0915","","","0.2541","0.2584","","","","","","1.094","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121367","11.727","0.003","11.746","0.003","15.471","0.004","81.252","0.004","72.971","0.004","60.415","0.004","1771.9","0.8","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C43 H37 Cl N4 O -","- C43 H37 Cl N4 O -","- C86 H74 Cl2 N8 O2 -","2","2","","Kohsuke Ohmatsu; Yuichiro Ando; Takashi Ooi","Asymmetric Substitution at the Tetrasubstituted Chiral Carbon: Catalytic Ring-Opening Alkylation of Racemic 2,2-Disubstituted Aziridines with 3-Substituted Oxindoles","Journal of the American Chemical Society","2013","135","","18706","18709","10.1021/ja411647x","","","0.71073","MoKα","","0.0831","0.0801","","","0.2197","0.2225","","","","","","1.062","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121368","7.9259","0.0011","7.9259","0.0011","60.915","0.018","90","","90","","90","","3826.7","1.4","123","2","123","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C176 H184 N8 O16 S8 -","8","1","","Kohsuke Ohmatsu; Yuichiro Ando; Takashi Ooi","Asymmetric Substitution at the Tetrasubstituted Chiral Carbon: Catalytic Ring-Opening Alkylation of Racemic 2,2-Disubstituted Aziridines with 3-Substituted Oxindoles","Journal of the American Chemical Society","2013","135","","18706","18709","10.1021/ja411647x","","","0.71073","MoKα","","0.1136","0.1119","","","0.234","0.2349","","","","","","1.334","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121369","6.4319","0.0016","16.382","0.004","27.793","0.007","90","","90","","90","","2928.5","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N2 O5 S -","- C32 H38 N2 O5 S -","- C128 H152 N8 O20 S4 -","4","1","","Kohsuke Ohmatsu; Yuichiro Ando; Takashi Ooi","Asymmetric Substitution at the Tetrasubstituted Chiral Carbon: Catalytic Ring-Opening Alkylation of Racemic 2,2-Disubstituted Aziridines with 3-Substituted Oxindoles","Journal of the American Chemical Society","2013","135","","18706","18709","10.1021/ja411647x","","","0.71075","MoKα","","0.1421","0.0933","","","0.2105","0.2481","","","","","","1.035","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121370","6.493","0.002","16.778","0.006","30.179","0.011","90","","90","","90","","3288","2","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H41 N2 O5 S -","- C36 H40 N2 O5 S -","- C144 H160 N8 O20 S4 -","4","1","","Kohsuke Ohmatsu; Yuichiro Ando; Takashi Ooi","Asymmetric Substitution at the Tetrasubstituted Chiral Carbon: Catalytic Ring-Opening Alkylation of Racemic 2,2-Disubstituted Aziridines with 3-Substituted Oxindoles","Journal of the American Chemical Society","2013","135","","18706","18709","10.1021/ja411647x","","","0.71075","MoKα","","0.1011","0.0784","","","0.1907","0.2145","","","","","","1.016","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121371","21.29","0.006","21.29","0.006","9.79","0.004","90","","90","","120","","3843","2","123","2","123","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C20 H24 N2 -","- C20 H24 N2 -","- C180 H216 N18 -","9","1","","Kohsuke Ohmatsu; Yuichiro Ando; Takashi Ooi","Asymmetric Substitution at the Tetrasubstituted Chiral Carbon: Catalytic Ring-Opening Alkylation of Racemic 2,2-Disubstituted Aziridines with 3-Substituted Oxindoles","Journal of the American Chemical Society","2013","135","","18706","18709","10.1021/ja411647x","","","0.71073","MoKα","","0.0973","0.0748","","","0.1857","0.1931","","","","","","1.169","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121372","6.502","0.0012","7.522","0.0008","20.6532","0.0017","97.77","0.005","91.964","0.004","90.557","0.005","1000.1","0.2","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C22 H22 N2 O7 -","- C22 H22 N2 O7 -","- C44 H44 N4 O14 -","2","2","","Si-Wei Zhang; Michelle T. Harasimowicz; Melgardt M. de Villiers; Lian Yu","Cocrystals of Nicotinamide and (R)-Mandelic Acid in Many Ratios with Anomalous Formation Properties","Journal of the American Chemical Society","2013","135","","18981","18989","10.1021/ja4103887","","x-ray","1.54178","CuKα","K-L~3~","0.0281","0.027","","","0.0746","0.0762","","","","","","1.038","","","","has coordinates,has Fobs","179015","2020-10-21","18:00:00",""
"4121373","10.068","0.003","15.684","0.004","20.994","0.006","101.281","0.005","97.097","0.004","90.207","0.005","3224.8","1.6","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H43 Cl4 Fe N2 O P -","- C28 H43 Cl4 Fe N2 O P -","- C112 H172 Cl16 Fe4 N8 O4 P4 -","4","2","","Dongjie Peng; Yanlu Zhang; Xiaoyong Du; Lei Zhang; Xuebing Leng; Marc D. Walter; Zheng Huang","Phosphinite-Iminopyridine Iron Catalysts for Chemoselective Alkene Hydrosilylation","Journal of the American Chemical Society","2013","135","","19154","19166","10.1021/ja404963f","","","0.71073","MoKα","","0.1964","0.0779","","","0.1525","0.1851","","","","","","1.054","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121374","10.111","0.002","12.582","0.003","18.628","0.004","107.715","0.004","90.048","0.004","90.537","0.005","2257.3","0.9","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H25 Br2 Fe N2 O P -","- C19 H25 Br2 Fe N2 O P -","- C76 H100 Br8 Fe4 N8 O4 P4 -","4","2","","Dongjie Peng; Yanlu Zhang; Xiaoyong Du; Lei Zhang; Xuebing Leng; Marc D. Walter; Zheng Huang","Phosphinite-Iminopyridine Iron Catalysts for Chemoselective Alkene Hydrosilylation","Journal of the American Chemical Society","2013","135","","19154","19166","10.1021/ja404963f","","","0.71073","MoKα","","0.1109","0.085","","","0.2439","0.265","","","","","","1.086","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121375","17.4863","0.0017","10.2818","0.0009","16.1659","0.0013","90","","98.045","0.006","90","","2877.9","0.4","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 Fe N2 O3 P -","- C29 H41 Fe N2 O3 P -","- C116 H164 Fe4 N8 O12 P4 -","4","1","","Dongjie Peng; Yanlu Zhang; Xiaoyong Du; Lei Zhang; Xuebing Leng; Marc D. Walter; Zheng Huang","Phosphinite-Iminopyridine Iron Catalysts for Chemoselective Alkene Hydrosilylation","Journal of the American Chemical Society","2013","135","","19154","19166","10.1021/ja404963f","","","1.54178","CuKα","","0.1306","0.0779","","","0.1931","0.229","","","","","","1.002","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121376","2.85176","","2.85176","","10.98618","","90","","90","","120","","77.375","","","","300","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Co0.6 Mo1.4 N2 -","- Co0.6 Mo1.4 N2 -","- Co1.2 Mo2.8 N4 -","2","0.0833333","","Bingfei Cao; Gabriel M. Veith; Joerg C. Neuefeind; Radoslav R. Adzic; Peter G. Khalifah","Mixed Close-Packed Cobalt Molybdenum Nitrides as Non-noble Metal Electrocatalysts for the Hydrogen Evolution Reaction","Journal of the American Chemical Society","2013","135","","19186","19192","10.1021/ja4081056","","","","Neutron,TOF","","4.975","","","5.935","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121377","2.85148","0.000033","2.85148","0.000033","10.98899","0.0003","90","","90","","120","","77.38","0.002","","","300","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Co0.6 Mo1.4 N2 -","- Co0.5655 Mo1.4345 N2 -","- Co1.131 Mo2.869 N4 -","2","0.0833333","","Bingfei Cao; Gabriel M. Veith; Joerg C. Neuefeind; Radoslav R. Adzic; Peter G. Khalifah","Mixed Close-Packed Cobalt Molybdenum Nitrides as Non-noble Metal Electrocatalysts for the Hydrogen Evolution Reaction","Journal of the American Chemical Society","2013","135","","19186","19192","10.1021/ja4081056","","","","x-ray","","9.414","","","11.344","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121378","6.6154","0.0003","6.8546","0.0003","7.4796","0.0003","82.032","0.002","67.561","0.005","71.9979","0.0018","298.06","0.02","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C2 H14 Cu F8 N2 O4 V2 -","- C2 H14 Cu F8 N2 O4 V2 -","- C2 H14 Cu F8 N2 O4 V2 -","1","0.5","","Romain Gautier; Kengo Oka; Takumi Kihara; Nitesh Kumar; Athinarayanan Sundaresan; Masashi Tokunaga; Masaki Azuma; Kenneth R. Poeppelmeier","Spin Frustration from cis-Edge or -Corner Sharing Metal-Centered Octahedra","Journal of the American Chemical Society","2013","135","","19268","19274","10.1021/ja409831h","","x-ray","0.71069","MoKα","","0.0215","0.0187","","","0.0496","0.0515","","","","","","0.93","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121379","7.107","0.003","17.24","0.0007","12.1314","0.0018","90","","125.491","0.012","90","","1210.2","0.6","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cu F4 N2 O2 V -","- C10 H10 Cu F4 N2 O2 V -","- C40 H40 Cu4 F16 N8 O8 V4 -","4","1","","Romain Gautier; Kengo Oka; Takumi Kihara; Nitesh Kumar; Athinarayanan Sundaresan; Masashi Tokunaga; Masaki Azuma; Kenneth R. Poeppelmeier","Spin Frustration from cis-Edge or -Corner Sharing Metal-Centered Octahedra","Journal of the American Chemical Society","2013","135","","19268","19274","10.1021/ja409831h","","x-ray","0.71069","MoKα","","0.0274","0.0229","","","0.0555","0.057","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121380","15.0308","0.0006","25.1917","0.001","23.7066","0.001","90","","103.928","0.002","90","","8712.6","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C82 H89 Ca F9 Fe3 N7 O24 S3 -","- C82 H89 Ca F9 Fe3 N7 O24 S3 -","- C328 H356 Ca4 F36 Fe12 N28 O96 S12 -","4","1","","David E. Herbert; Davide Lionetti; Jonathan Rittle; Theodor Agapie","Heterometallic Triiron-Oxo/Hydroxo Clusters: Effect of Redox-Inactive Metals","Journal of the American Chemical Society","2013","135","","19075","19078","10.1021/ja4104974","","","0.71073","MoKα","","0.1284","0.0664","","","0.1675","0.1961","","","","","","1.032","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121381","14.949","0.005","25.335","0.008","23.827","0.008","90","","102.574","0.008","90","","8808","5","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C79.87 H82.97 Cl0.76 F9 Fe3 La N6 O22.62 S3 -","- C78.824 H82.864 Cl0.784 F9 Fe3 La N6 O23.608 S3 -","- C315.296 H331.456 Cl3.136 F36 Fe12 La4 N24 O94.432 S12 -","4","1","","David E. Herbert; Davide Lionetti; Jonathan Rittle; Theodor Agapie","Heterometallic Triiron-Oxo/Hydroxo Clusters: Effect of Redox-Inactive Metals","Journal of the American Chemical Society","2013","135","","19075","19078","10.1021/ja4104974","","","0.71073","MoKα","","0.0939","0.0567","","","0.1458","0.1726","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","179015","2020-10-21","18:00:00",""
"4121382","14.5972","0.0018","25.161","0.003","23.47","0.003","90","","102.693","0.007","90","","8409.4","1.8","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C77 H77 Cl2 F9 Fe3 N6 O23 S3 Sc -","- C77 H77 Cl2 F9 Fe3 N6 O23 S3 Sc -","- C308 H308 Cl8 F36 Fe12 N24 O92 S12 Sc4 -","4","1","","David E. Herbert; Davide Lionetti; Jonathan Rittle; Theodor Agapie","Heterometallic Triiron-Oxo/Hydroxo Clusters: Effect of Redox-Inactive Metals","Journal of the American Chemical Society","2013","135","","19075","19078","10.1021/ja4104974","","","0.71073","MoKα","","0.1636","0.1248","","","0.3287","0.3558","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","179015","2020-10-21","18:00:00",""
"4121383","16.2788","0.0006","26.1544","0.0009","20.0612","0.0007","90","","105.979","0.002","90","","8211.3","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H56 F9 Fe3 N6 O20 S3 Sr -","- C68 H56 F9 Fe3 N6 O20 S3 Sr -","- C272 H224 F36 Fe12 N24 O80 S12 Sr4 -","4","1","","David E. Herbert; Davide Lionetti; Jonathan Rittle; Theodor Agapie","Heterometallic Triiron-Oxo/Hydroxo Clusters: Effect of Redox-Inactive Metals","Journal of the American Chemical Society","2013","135","","19075","19078","10.1021/ja4104974","","","0.71073","MoKα","","0.0497","0.0389","","","0.119","0.1255","","","","","","0.965","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121384","14.292","0.003","14.592","0.003","18.666","0.004","72.48","0.03","72.06","0.03","70.67","0.03","3407.7","1.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H49 F9 Fe3 N7 O18 S3 Zn -","- C66 H49 F9 Fe3 N7 O18 S3 Zn -","- C132 H98 F18 Fe6 N14 O36 S6 Zn2 -","2","1","","David E. Herbert; Davide Lionetti; Jonathan Rittle; Theodor Agapie","Heterometallic Triiron-Oxo/Hydroxo Clusters: Effect of Redox-Inactive Metals","Journal of the American Chemical Society","2013","135","","19075","19078","10.1021/ja4104974","","","0.7293","synchrotron","","0.0903","0.0869","","","0.2457","0.2481","","","","","","0.829","","","","has coordinates,has disorder,has Fobs","179015","2020-10-21","18:00:00",""
"4121385","11.8543","0.0018","26.583","0.004","25.731","0.004","90","","93.023","0.008","90","","8097","2","100","","100.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C77.25 H81.63 Ca F6 Fe3 N6 O20.56 S2 -","- C77.256 H81.64 Ca F6 Fe3 N6 O20.564 S2 -","- C309.024 H326.56 Ca4 F24 Fe12 N24 O82.256 S8 -","4","1","","David E. Herbert; Davide Lionetti; Jonathan Rittle; Theodor Agapie","Heterometallic Triiron-Oxo/Hydroxo Clusters: Effect of Redox-Inactive Metals","Journal of the American Chemical Society","2013","135","","19075","19078","10.1021/ja4104974","","","0.71073","MoKα","","0.1744","0.0986","","","0.2377","0.2798","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","179015","2020-10-21","18:00:00",""
"4121386","7.71","0.003","5.872","0.003","20.638","0.01","90","","98.296","0.007","90","","924.6","0.7","93","","93","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C30 H20 -","- C30 H20 -","- C60 H40 -","2","0.5","","Yuji Yamaguchi; Keisuke Ogawa; Ken-ichi Nakayama; Yoshihiro Ohba; Hiroshi Katagiri","Terazulene: A High-Performance n-Type Organic Field-Effect Transistor Based on Molecular Orbital Distribution Control","Journal of the American Chemical Society","2013","135","","19095","19098","10.1021/ja410696j","","","0.71075","MoKα","","0.0946","0.07","","","0.1428","0.1569","","","","","","1.157","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121387","25.815","0.004","16.29","0.002","18.8","0.003","90","","133.36","","90","","5748","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H0 Co N4 -","- C32 H41 Co N4 -","- C256 H328 Co8 N32 -","8","1","","Jennifer V. Obligacion; Paul J. Chirik","Bis(imino)pyridine Cobalt-Catalyzed Alkene Isomerization-Hydroboration: A Strategy for Remote Hydrofunctionalization with Terminal Selectivity","Journal of the American Chemical Society","2013","135","","19107","19110","10.1021/ja4108148","","","0.71073","MoKα","","0.0407","0.0311","","","0.0947","0.1119","","","","","","0.641","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121388","17.205","0.002","7.9085","0.0009","11.6143","0.0014","90","","121.075","0.002","90","","1353.5","0.3","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 Fe3 N4 Se4 -","- C4 H16 Fe3 N4 Se4 -","- C16 H64 Fe12 N16 Se16 -","4","0.5","","Chongin Pak; Saeed Kamali; Joyce Pham; Kathleen Lee; Joshua T. Greenfield; Kirill Kovnir","Chemical Excision of Tetrahedral FeSe2 Chains from the Superconductor FeSe: Synthesis, Crystal Structure, and Magnetism of Fe3Se4(en)2","Journal of the American Chemical Society","2013","135","","19111","19114","10.1021/ja410820u","","","0.71073","MoKα","","0.0732","0.0388","","","0.0716","0.0837","","","","","","1.002","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121389","10.5967","0.0005","13.4725","0.0007","11.0152","0.0005","90","","104.774","0.0015","90","","1520.58","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C68 H76 N4 O12 S4 -","4","1","","Naoki Ishida; Yasuhiro Shimamoto; Takaaki Yano; Masahiro Murakami","1,5-Rhodium Shift in Rearrangement of N-Arenesulfonylazetidin-3-ols into Benzosultams","Journal of the American Chemical Society","2013","135","","19103","19106","10.1021/ja410910s","","","0.71075","MoKα","","0.0335","0.0322","","","0.0868","0.0878","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121390","12.6242","0.0011","13.2594","0.0012","17.3455","0.0015","82.796","0.002","80.942","0.001","68.583","0.001","2662","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52.5 H28.5 F20 N5 O2.5 S2.5 -","- C52.5 H28.5 F20 N5 O2.25 S2.25 -","- C105 H57 F40 N10 O4.5 S4.5 -","2","1","","Yongshu Xie; Pingchun Wei; Xin Li; Tao Hong; Kai Zhang; Hiroyuki Furuta","Macrocycle Contraction and Expansion of a Dihydrosapphyrin Isomer","Journal of the American Chemical Society","2013","135","","19119","19122","10.1021/ja4112644","","","0.71073","MoKα","","0.2072","0.0857","","","0.1829","0.2372","","","","","","0.923","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121391","15.064","0.003","9.7487","0.0018","30.825","0.006","90","","92.476","0.003","90","","4522.6","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H20 F20 N6 O2 -","- C51 H20 F20 N6 O2 -","- C204 H80 F80 N24 O8 -","4","1","","Yongshu Xie; Pingchun Wei; Xin Li; Tao Hong; Kai Zhang; Hiroyuki Furuta","Macrocycle Contraction and Expansion of a Dihydrosapphyrin Isomer","Journal of the American Chemical Society","2013","135","","19119","19122","10.1021/ja4112644","","","0.71073","MoKα","","0.0929","0.0533","","","0.1398","0.1631","","","","","","1.02","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121392","16.774","0.005","34.488","0.012","17.962","0.006","90","","116.539","0.009","90","","9296","5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H15 F20 N5 O2 Zn -","- C49 H15 F20 N5 O2 Zn -","- C392 H120 F160 N40 O16 Zn8 -","8","2","","Yongshu Xie; Pingchun Wei; Xin Li; Tao Hong; Kai Zhang; Hiroyuki Furuta","Macrocycle Contraction and Expansion of a Dihydrosapphyrin Isomer","Journal of the American Chemical Society","2013","135","","19119","19122","10.1021/ja4112644","","","0.71073","MoKα","","0.1632","0.0683","","","0.1569","0.1952","","","","","","0.983","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121393","8.743","0.0005","15.4709","0.0009","17.2257","0.001","94.615","0.002","101.716","0.002","96.813","0.002","2252.2","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H35 Cl2 F40 N10 O2 -","- C100 H35 Cl2 F40 N10 O2 -","- C100 H35 Cl2 F40 N10 O2 -","1","0.5","","Yongshu Xie; Pingchun Wei; Xin Li; Tao Hong; Kai Zhang; Hiroyuki Furuta","Macrocycle Contraction and Expansion of a Dihydrosapphyrin Isomer","Journal of the American Chemical Society","2013","135","","19119","19122","10.1021/ja4112644","","","0.71073","MoKα","","0.0692","0.0575","","","0.1564","0.1653","","","","","","1.081","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121394","11.54889","0.00009","8.77611","0.00007","16.11647","0.00013","90","","104.651","0.0008","90","","1580.36","0.02","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","Zhengren Xu; Qian Wang; Jieping Zhu","Enantioselective Total Syntheses of Leuconolam-Leuconoxine-Mersicarpine Group Monoterpene Indole Alkaloids","Journal of the American Chemical Society","2013","135","","19127","19130","10.1021/ja4115192","","","1.54178","CuKα","","0.0339","0.0335","","","0.0851","0.0855","","","","","","1.051","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121395","9.3613","0.0003","12.1715","0.0004","17.8394","0.0006","90","","97.558","0.003","90","","2014.98","0.12","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Cl3 N2 O3 -","- C20 H23 Cl3 N2 O3 -","- C80 H92 Cl12 N8 O12 -","4","1","","Zhengren Xu; Qian Wang; Jieping Zhu","Enantioselective Total Syntheses of Leuconolam-Leuconoxine-Mersicarpine Group Monoterpene Indole Alkaloids","Journal of the American Chemical Society","2013","135","","19127","19130","10.1021/ja4115192","","","1.54178","CuKα","","0.0416","0.0363","","","0.0887","0.0925","","","","","","1.026","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121396","9.782","0.0003","7.49799","0.00019","11.2172","0.0003","90","","107.875","0.003","90","","783.01","0.04","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C38 H44 N4 O4 -","2","1","","Zhengren Xu; Qian Wang; Jieping Zhu","Enantioselective Total Syntheses of Leuconolam-Leuconoxine-Mersicarpine Group Monoterpene Indole Alkaloids","Journal of the American Chemical Society","2013","135","","19127","19130","10.1021/ja4115192","","","1.54178","CuKα","","0.0344","0.0341","","","0.0896","0.09","","","","","","1.041","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121397","8.05042","0.00013","14.5426","0.0002","15.2311","0.0003","90","","90","","90","","1783.17","0.05","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C80 H104 N8 O16 -","4","1","","Zhengren Xu; Qian Wang; Jieping Zhu","Enantioselective Total Syntheses of Leuconolam-Leuconoxine-Mersicarpine Group Monoterpene Indole Alkaloids","Journal of the American Chemical Society","2013","135","","19127","19130","10.1021/ja4115192","","","1.54178","CuKα","","0.0305","0.0304","","","0.079","0.0794","","","","","","1.068","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121398","8.4093","0.0002","8.6581","0.0003","8.7267","0.0003","105.959","0.001","114.847","0.002","96.574","0.001","534.73","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","PH2C(O)NH2*0.5(18-crown-6)","","- C7 H16 N O4 P -","- C7 H16 N O4 P -","- C14 H32 N2 O8 P2 -","2","1","","Andrew R. Jupp; Jose M. Goicoechea","Phosphinecarboxamide: A Phosphorus-Containing Analogue of Urea and Stable Primary Phosphine","Journal of the American Chemical Society","2013","135","","19131","19134","10.1021/ja4115693","","","0.71073","MoKα","","0.0416","0.0321","","","0.0781","0.0821","","","","","","1.046","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121399","13.842","0.005","12.699","0.005","15.101","0.006","90","","94.131","0.017","90","","2647.6","1.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 N4 O4 P2 -","- C54 H72 N4 O4 P2 -","- C108 H144 N8 O8 P4 -","2","0.5","","Yuzhong Wang; Yaoming Xie; Pingrong Wei; Henry F. Schaefer; Paul von R. Schleyer; Gregory H. Robinson","Splitting Molecular Oxygen en Route to a Stable Molecule Containing Diphosphorus Tetroxide","Journal of the American Chemical Society","2013","135","","19139","19142","10.1021/ja411667f","","","0.71073","MoKα","","0.1198","0.063","","","0.1572","0.1965","","","","","","1.017","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121400","12.9724","0.0008","14.6285","0.0009","14.8116","0.0009","90","","102.335","0.001","90","","2745.9","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H76 N4 O6 P2 -","- C54 H76 N4 O6 P2 -","- C108 H152 N8 O12 P4 -","2","0.5","","Yuzhong Wang; Yaoming Xie; Pingrong Wei; Henry F. Schaefer; Paul von R. Schleyer; Gregory H. Robinson","Splitting Molecular Oxygen en Route to a Stable Molecule Containing Diphosphorus Tetroxide","Journal of the American Chemical Society","2013","135","","19139","19142","10.1021/ja411667f","","","0.71073","MoKα","","0.0868","0.0507","","","0.1236","0.1474","","","","","","1.024","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121401","30.4975","0.0019","30.4975","0.0019","13.3192","0.0009","90","","90","","90","","12388.2","1.4","90","2","90","2","","","","","","","","8","P 4","P 4","75","","","","- C211 H152 Dy F9 N40 O45 S3 Zn16 -","- C211 H152 Dy F9 N40 O45 S3 Zn16 -","- C422 H304 Dy2 F18 N80 O90 S6 Zn32 -","2","0.5","","Trivedi, Evan R.; Eliseeva, Svetlana V.; Jankolovits, Joseph; Olmstead, Marilyn M.; Petoud, Stéphane; Pecoraro, Vincent L.","Highly emitting near-infrared lanthanide ""encapsulated sandwich"" metallacrown complexes with excitation shifted toward lower energy.","Journal of the American Chemical Society","2014","136","4","1526","1534","10.1021/ja4113337","","","0.71073","MoKα","","0.0514","0.0415","","","0.1333","0.1402","","","","","","1.039","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4121402","7.2221","0.0001","14.9351","0.0002","17.0443","0.0002","90","","93.767","0.001","90","","1834.47","0.04","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Cl Ir N O -","- C21 H23 Cl Ir N O -","- C84 H92 Cl4 Ir4 N4 O4 -","4","1","","Turlington, Christopher R.; White, Peter S.; Brookhart, Maurice; Templeton, Joseph L.","Oxygen atom transfer to a half-sandwich iridium complex: clean oxidation yielding a molecular product.","Journal of the American Chemical Society","2014","136","10","3981","3994","10.1021/ja413023f","","","1.54178","CuKα","","0.0214","0.0207","","","0.0469","0.0472","","","","","","1.181","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121403","9.1491","0.0004","10.4209","0.0004","14.3917","0.0006","75.867","0.002","87.839","0.002","74.111","0.002","1279.14","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 Cl5 Ir N O2 -","- C23 H27 Cl5 Ir N O2 -","- C46 H54 Cl10 Ir2 N2 O4 -","2","1","","Turlington, Christopher R.; White, Peter S.; Brookhart, Maurice; Templeton, Joseph L.","Oxygen atom transfer to a half-sandwich iridium complex: clean oxidation yielding a molecular product.","Journal of the American Chemical Society","2014","136","10","3981","3994","10.1021/ja413023f","","","1.54178","CuKα","","0.0225","0.0216","","","0.0524","0.0529","","","","","","1.086","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121404","12.814","0.0002","13.721","0.0002","18.1145","0.0003","106.177","0.001","110.323","0.001","98.016","0.001","2767.98","0.08","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H37 B Cl2 F24 Ir N O -","- C54 H37 B Cl2 F24 Ir N O -","- C108 H74 B2 Cl4 F48 Ir2 N2 O2 -","2","1","","Turlington, Christopher R.; White, Peter S.; Brookhart, Maurice; Templeton, Joseph L.","Oxygen atom transfer to a half-sandwich iridium complex: clean oxidation yielding a molecular product.","Journal of the American Chemical Society","2014","136","10","3981","3994","10.1021/ja413023f","","","1.54178","CuKα","","0.0242","0.0237","","","0.0593","0.0598","","","","","","1.086","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121405","13.1858","0.0003","20.15","0.0005","24.1403","0.0006","90","","100.181","0.001","90","","6312.9","0.3","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H39 B Cl F30 Ir N2 O -","- C62 H39 B Cl F30 Ir N2 O -","- C248 H156 B4 Cl4 F120 Ir4 N8 O4 -","4","1","","Turlington, Christopher R.; White, Peter S.; Brookhart, Maurice; Templeton, Joseph L.","Oxygen atom transfer to a half-sandwich iridium complex: clean oxidation yielding a molecular product.","Journal of the American Chemical Society","2014","136","10","3981","3994","10.1021/ja413023f","","","1.54178","CuKα","","0.0325","0.0283","","","0.0675","0.0695","","","","","","1.036","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121407","6.1661","0.0004","15.0421","0.0009","29.201","0.0017","90","","90","","90","","2708.4","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N4 O9 -","- C27 H33 N4 O9 -","- C108 H132 N16 O36 -","4","1","","Parker, Matthew F. L.; Osuna, Sílvia; Bollot, Guillaume; Vaddypally, Shivaiah; Zdilla, Michael J.; Houk, K. N.; Schafmeister, Christian E.","Acceleration of an Aromatic Claisen Rearrangement via a Designed Spiroligozyme Catalyst that Mimics the Ketosteroid Isomerase Catalytic Dyad.","Journal of the American Chemical Society","2014","136","10","3817","3827","10.1021/ja409214c","","","0.71073","MoKα","","0.0436","0.0364","","","0.0836","0.0875","","","","","","1.016","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121408","13.0126","0.0004","13.1146","0.0004","13.9071","0.0004","84.956","0.001","69.273","0.001","84.608","0.001","2206.08","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.9 H29.1 N3.3 O9.3 Zn2 -","- C37.9 H29.1 N3.3 O9.3 Zn2 -","- C75.8 H58.2 N6.6 O18.6 Zn4 -","2","1","","Aggarwal, Himanshu; Bhatt, Prashant M.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Direct evidence for single-crystal to single-crystal switching of degree of interpenetration in a metal-organic framework.","Journal of the American Chemical Society","2014","136","10","3776","3779","10.1021/ja500530y","","","0.71073","MoKα","","0.0568","0.0463","","","0.1321","0.1374","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121409","17.0963","0.0003","19.9054","0.0003","14.0678","0.0002","90","","95.978","0.001","90","","4761.36","0.13","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52.2 H32.8 N3.4 O12.4 Zn3 -","- C52.2 H32.8 N3.4 O12.4 Zn3 -","- C208.8 H131.2 N13.6 O49.6 Zn12 -","4","1","","Aggarwal, Himanshu; Bhatt, Prashant M.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Direct evidence for single-crystal to single-crystal switching of degree of interpenetration in a metal-organic framework.","Journal of the American Chemical Society","2014","136","10","3776","3779","10.1021/ja500530y","","","0.71073","MoKα","","0.0594","0.0408","","","0.0889","0.0968","","","","","","1.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121410","17.1323","0.0014","19.8444","0.0016","14.0625","0.0012","90","","96.159","0.001","90","","4753.4","0.7","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51.96 H32.24 N3.32 O12.32 Zn3 -","- C51.96 H32.24 N3.32 O12.32 Zn3 -","- C207.84 H128.96 N13.28 O49.28 Zn12 -","4","1","","Aggarwal, Himanshu; Bhatt, Prashant M.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Direct evidence for single-crystal to single-crystal switching of degree of interpenetration in a metal-organic framework.","Journal of the American Chemical Society","2014","136","10","3776","3779","10.1021/ja500530y","","","0.71073","MoKα","","0.0795","0.0504","","","0.1136","0.1255","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121411","17.574","0.0007","20.2877","0.0006","21.8764","0.0007","76.155","0.003","80.617","0.003","86.112","0.003","7468.4","0.5","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","BN-DBTTC-C6","","","- C180 H0 B6 N6 O0 S12 -","- C180 B6 N6 S12 -","- C360 B12 N12 S24 -","2","1","","Wang, Xiao-Ye; Zhuang, Fang-Dong; Wang, Rui-Bo; Wang, Xin-Chang; Cao, Xiao-Yu; Wang, Jie-Yu; Pei, Jian","A Straightforward Strategy toward Large BN-Embedded π-Systems: Synthesis, Structure, and Optoelectronic Properties of Extended BN Heterosuperbenzenes.","Journal of the American Chemical Society","2014","136","10","3764","3767","10.1021/ja500117z","","","1.54178","CuKα","","0.1683","0.14","","","0.3837","0.4378","","","","","","0.966","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121412","18.6813","0.0012","8.6489","0.0004","5.8008","0.0003","90","","96.215","0.003","90","","931.74","0.09","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Hg (O Te F5)2","","","- F10 Hg O2 Te2 -","- F10 Hg O2 Te2 -","- F40 Hg4 O8 Te8 -","4","0.5","","Debackere, John R.; Mercier, Hélène P A; Schrobilgen, Gary J.","Noble-Gas Difluoride Complexes of Mercury(II): The Syntheses and Structures of Hg(OTeF5)2·1.5NgF2 (Ng = Xe, Kr) and Hg(OTeF5)2.","Journal of the American Chemical Society","2014","136","10","3888","3903","10.1021/ja412193z","","","0.71073","MoKα","","0.0545","0.0461","","","0.1191","0.1232","","","","","","1.11","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121413","9.0574","0.0002","17.8943","0.0003","9.1285","0.0002","90","","114.548","0.001","90","","1345.78","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Hg (O Te F5)2, (Xe F2)1.5","","","- F13 Hg O2 Te2 Xe1.5 -","- F13 Hg O2 Te2 Xe1.5 -","- F52 Hg4 O8 Te8 Xe6 -","4","1","","Debackere, John R.; Mercier, Hélène P A; Schrobilgen, Gary J.","Noble-Gas Difluoride Complexes of Mercury(II): The Syntheses and Structures of Hg(OTeF5)2·1.5NgF2 (Ng = Xe, Kr) and Hg(OTeF5)2.","Journal of the American Chemical Society","2014","136","10","3888","3903","10.1021/ja412193z","","","0.71073","MoKα","","0.0426","0.0282","","","0.0558","0.0595","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121414","8.7981","0.0004","17.4159","0.0009","9.2247","0.0004","90","","113.783","0.003","90","","1293.44","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Hg (O Te F5)2, (Kr F2)1.5","","","- F13 Hg Kr1.5 O2 Te2 -","- F13 Hg Kr1.5 O2 Te2 -","- F52 Hg4 Kr6 O8 Te8 -","4","1","","Debackere, John R.; Mercier, Hélène P A; Schrobilgen, Gary J.","Noble-Gas Difluoride Complexes of Mercury(II): The Syntheses and Structures of Hg(OTeF5)2·1.5NgF2 (Ng = Xe, Kr) and Hg(OTeF5)2.","Journal of the American Chemical Society","2014","136","10","3888","3903","10.1021/ja412193z","","","0.71073","MoKα","","0.0346","0.0284","","","0.0693","0.0716","","","","","","1.185","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121415","16.288","0.0006","19.2991","0.0006","5.3395","0.0002","90","","90","","90","","1678.44","0.1","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H16 Cl2 N6 -","- C20 H12 Cl2 N6 -","- C80 H48 Cl8 N24 -","4","0.5","","Pochorovski, Igor; Milić, Jovana; Kolarski, Dušan; Gropp, Cornelius; Schweizer, W. Bernd; Diederich, François","Evaluation of Hydrogen-Bond Acceptors for Redox-Switchable Resorcin[4]arene Cavitands.","Journal of the American Chemical Society","2014","136","10","3852","3858","10.1021/ja411429b","","","1.54178","CuKα","","0.0523","0.0376","","","0.0875","0.0925","","","","","","0.994","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121416","18.289","0.004","31.753","0.008","19.041","0.004","90","","101.35","0.008","90","","10841","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C113 H100 Cl2 N10 O12 -","- C113 H100 Cl2 N10 O12 -","- C452 H400 Cl8 N40 O48 -","4","1","","Pochorovski, Igor; Milić, Jovana; Kolarski, Dušan; Gropp, Cornelius; Schweizer, W. Bernd; Diederich, François","Evaluation of Hydrogen-Bond Acceptors for Redox-Switchable Resorcin[4]arene Cavitands.","Journal of the American Chemical Society","2014","136","10","3852","3858","10.1021/ja411429b","","","1.54178","CuKα","","0.2317","0.1655","","","0.3629","0.3819","","","","","","1.993","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121417","10.1012","0.0004","9.8645","0.0004","14.7218","0.0006","90","","92.917","0.003","90","","1465.03","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 Cl N O2 -","- C15 H18 Cl N O2 -","- C60 H72 Cl4 N4 O8 -","4","2","","Wu, Hao; Haeffner, Fredrik; Hoveyda, Amir H.","An efficient, practical, and enantioselective method for synthesis of homoallenylamides catalyzed by an aminoalcohol-derived, boron-based catalyst.","Journal of the American Chemical Society","2014","136","10","3780","3783","10.1021/ja500374p","","","1.54178","CuKα","","0.0787","0.0597","","","0.1402","0.1505","","","","","","1.03","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121418","5.6723","0.0005","12.279","0.001","16.043","0.0013","90","","90","","90","","1117.4","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","","Wu, Hao; Haeffner, Fredrik; Hoveyda, Amir H.","An efficient, practical, and enantioselective method for synthesis of homoallenylamides catalyzed by an aminoalcohol-derived, boron-based catalyst.","Journal of the American Chemical Society","2014","136","10","3780","3783","10.1021/ja500374p","","","1.54178","CuKα","","0.0297","0.0284","","","0.069","0.0699","","","","","","1.07","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121419","13.099","0.005","13.355","0.005","14.078","0.005","71.968","0.004","69.923","0.004","70.857","0.004","2130.7","1.4","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 Fe N10 O11 -","- C39 H36 Cl2 Fe N10 O11 -","- C78 H72 Cl4 Fe2 N20 O22 -","2","1","","Costa, José Sánchez; Rodríguez-Jiménez, Santiago; Craig, Gavin A.; Barth, Benjamin; Beavers, Christine M.; Teat, Simon J.; Aromí, Guillem","Three-Way Crystal-to-Crystal Reversible Transformation and Controlled Spin Switching by a Nonporous Molecular Material.","Journal of the American Chemical Society","2014","136","10","3869","3874","10.1021/ja411595y","","","0.7749","synchrotron","","0.1509","0.1055","","","0.305","0.3396","","","","","","1.036","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121420","12.708","0.004","13.214","0.005","14.931","0.005","71.792","0.004","69.208","0.004","62.66","0.004","2048.2","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37.25 H35 Cl2 Fe N10 O11.75 -","- C37.25 H34 Cl2 Fe N10 O11.75 -","- C74.5 H68 Cl4 Fe2 N20 O23.5 -","2","1","","Costa, José Sánchez; Rodríguez-Jiménez, Santiago; Craig, Gavin A.; Barth, Benjamin; Beavers, Christine M.; Teat, Simon J.; Aromí, Guillem","Three-Way Crystal-to-Crystal Reversible Transformation and Controlled Spin Switching by a Nonporous Molecular Material.","Journal of the American Chemical Society","2014","136","10","3869","3874","10.1021/ja411595y","","","0.7749","synchrotron","","0.1141","0.0781","","","0.2015","0.2357","","","","","","1.066","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121421","14.0569","0.0017","21.606","0.003","15.2698","0.0019","90","","114.946","0.002","90","","4205","0.9","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40.5 H39 Cl2 Fe N10 O11.5 -","- C40.398 H38.796 Cl2 Fe N10 O11.466 -","- C161.592 H155.184 Cl8 Fe4 N40 O45.864 -","4","1","","Costa, José Sánchez; Rodríguez-Jiménez, Santiago; Craig, Gavin A.; Barth, Benjamin; Beavers, Christine M.; Teat, Simon J.; Aromí, Guillem","Three-Way Crystal-to-Crystal Reversible Transformation and Controlled Spin Switching by a Nonporous Molecular Material.","Journal of the American Chemical Society","2014","136","10","3869","3874","10.1021/ja411595y","","","0.7749","synchrotron","","0.059","0.0512","","","0.1372","0.1454","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121422","14.041","0.004","15.174","0.004","21.268","0.006","90","","108.413","0.003","90","","4299","2","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 F3 N O -","- C26 H24 F3 N O -","- C208 H192 F24 N8 O8 -","8","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0961","0.0595","","","0.1347","0.1501","","","","","","1.049","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121423","32.495","0.004","7.4802","0.0009","17.551","0.002","90","","105.813","0.002","90","","4104.7","0.8","123","","123","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H22 F3 N O -","- C25 H22 F3 N O -","- C200 H176 F24 N8 O8 -","8","2","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0596","0.0446","","","0.0948","0.102","","","","","","1.038","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121424","9.4028","0.0013","10.1616","0.0014","14.165","0.0019","107.003","0.002","109.02","0.002","95.887","0.002","1193.9","0.3","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 F3 N O -","- C29 H31 F3 N O -","- C58 H62 F6 N2 O2 -","2","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.062","0.0563","","","0.1488","0.155","","","","","","1.047","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121425","25.51","0.003","8.9782","0.0012","26.541","0.003","90","","112.593","0.002","90","","5612.3","1.2","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H35 F3 N O -","- C35 H35 F3 N O -","- C280 H280 F24 N8 O8 -","8","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0571","0.0424","","","0.0932","0.1007","","","","","","1.02","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121426","10.579","0.002","10.658","0.002","13.229","0.003","75.671","0.003","76.455","0.003","82.608","0.003","1401","0.5","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 F3 N O -","- C36 H30 F3 N O -","- C72 H60 F6 N2 O2 -","2","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0671","0.0451","","","0.0908","0.1012","","","","","","1.04","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121427","5.6284","0.0005","15.5917","0.0015","18.8291","0.0018","90","","90","","90","","1652.4","0.3","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 F3 N O -","- C20 H18 F3 N O -","- C80 H72 F12 N4 O4 -","4","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0441","0.0345","","","0.0785","0.0834","","","","","","1.067","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121428","11.401","0.003","14.913","0.004","15.965","0.004","90","","97.817","0.003","90","","2689.2","1.2","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 F3 N O -","- C36 H30 F3 N O -","- C144 H120 F12 N4 O4 -","4","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0955","0.0487","","","0.1008","0.1156","","","","","","1.012","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121429","9.075","0.002","9.991","0.002","13.562","0.003","101.559","0.002","104.089","0.003","97.615","0.003","1147","0.4","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 F3 N O -","- C28 H28 F3 N O -","- C56 H56 F6 N2 O2 -","2","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.1004","0.0721","","","0.1821","0.202","","","","","","1.043","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121430","17.148","0.002","11.3383","0.0015","14.3781","0.0019","90","","96.218","0.002","90","","2779.1","0.6","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 F3 N O2 -","- C33 H30 F3 N O2 -","- C132 H120 F12 N4 O8 -","4","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0807","0.048","","","0.0954","0.1072","","","","","","1.028","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121431","9.687","0.002","9.819","0.002","12.399","0.003","83.01","0.003","73.99","0.003","70.346","0.003","1067","0.4","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 F3 N O2 -","- C26 H24 F3 N O2 -","- C52 H48 F6 N2 O4 -","2","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.094","0.0572","","","0.1225","0.1395","","","","","","1.016","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121432","28.6041","0.0014","8.1727","0.0004","22.0769","0.0011","90","","110.543","0.002","90","","4832.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 O4 -","- C26 H38 O4 -","- C208 H304 O32 -","8","2","","Horeischi, Fiene; Biber, Nicole; Plietker, Bernd","The Total Syntheses of Guttiferone A and 6-epi-Guttiferone A.","Journal of the American Chemical Society","2014","136","10","4026","4030","10.1021/ja500063a","","","0.71073","MoKα","","0.0778","0.0486","","","0.1055","0.1138","","","","","","1.031","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121433","8.6352","0.0006","10.1575","0.0007","13.0283","0.0008","79.15","0.003","77.585","0.003","74.196","0.004","1063.56","0.13","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H34 O4 -","- C24 H34 O4 -","- C48 H68 O8 -","2","1","","Horeischi, Fiene; Biber, Nicole; Plietker, Bernd","The Total Syntheses of Guttiferone A and 6-epi-Guttiferone A.","Journal of the American Chemical Society","2014","136","10","4026","4030","10.1021/ja500063a","","","0.71073","MoKα","","0.0721","0.0439","","","0.1004","0.1087","","","","","","1.026","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121434","18.067","0.004","22.497","0.005","32.866","0.007","78.64","0.03","80.51","0.03","82.79","0.03","12858","5","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C192 H177 Cu8 F48 N39.5 O8.25 P8 -","- C192 H165 Cu8 F48 N39.5 O8.25 P8 -","- C384 H330 Cu16 F96 N79 O16.5 P16 -","2","1","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","0.71073","MoKα","","0.1541","0.0802","","","0.2336","0.2582","","","","","","0.96","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121435","23.101","0.009","23.101","0.009","46.775","0.018","90","","90","","90","","24962","17","100","2","100","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C188 H152 Ag Au2 B7 Cu8 F28 N36 -","- C188 H152 Ag Au2 B4 Cu8 F16 N36 -","- C376 H304 Ag2 Au4 B8 Cu16 F32 N72 -","2","0.25","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","0.6889","synchrotron","","0.1175","0.0986","","","0.2563","0.2719","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121436","47.2607","0.001","25.8641","0.0005","38.3681","0.0009","90","","109.894","0.002","90","","44100.7","1.7","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C180 H124 B8 Br16 Cu8 F32 N37 O0.5 -","- C180 H102 B6.5 Br16 Cu8 F25.5 N37 O0.5 -","- C1440 H816 B52 Br128 Cu64 F204 N296 O4 -","8","1","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","1.5418","CuKα","","0.0774","0.0668","","","0.1813","0.19","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121437","35.408","0.005","35.408","0.005","45.801","0.009","90","","90","","120","","49729","14","180","2","180","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C184 H152 Ag8 B8 F32 N32 -","- C184 H152 Ag8 B4.66667 F18.6667 N32 -","- C1656 H1368 Ag72 B42 F168 N288 -","9","0.5","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","0.71073","MoKα","","0.0712","0.0569","","","0.1441","0.1541","","","","","","1.003","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121438","23.054","0.0005","47.6698","0.0016","23.0934","0.0005","90","","90.249","0.002","90","","25378.9","1.2","120","2","120","2","","","","","","","","9","P 1 n 1","P -2yac","7","","","","- C416 H646 Au3 B0 Cu8 F56 N74 O38 Sb7 -","- C188 H152 Au3 Cu8 N36 -","- C376 H304 Au6 Cu16 N72 -","2","1","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","1.5418","CuKα","","0.1538","0.1457","","","0.3618","0.3709","","","","","","1.595","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121439","22.896","0.003","22.896","0.003","95.642","0.019","90","","90","","90","","50138","14","120","2","120","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C228 H214 Cu8 F48 N40 O3 P8 -","- C216 H184 Cu8 F48 N40 P8 -","- C1728 H1472 Cu64 F384 N320 P64 -","8","0.5","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","1.5418","CuKα","","0.1149","0.1048","","","0.3081","0.3179","","","","","","1.042","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4121440","23.215","0.006","46.98","0.012","22.848","0.006","90","","90.171","0.002","90","","24919","11","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C220 H194 Au2 Cu9 F48 K N40 O3 P8 -","- C220 H192 Au2 Cu9 F48 K N40 O3 P8 -","- C880 H768 Au8 Cu36 F192 K4 N160 O12 P32 -","4","0.5","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","0.6889","synchrotron","","0.1312","0.1172","","","0.3297","0.3418","","","","","","1.546","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121441","35.492","0.009","35.492","0.009","20.593","0.005","90","","90","","90","","25941","11","100","2","100","2","","","","","","","","6","P -4","P -4","81","","","","- C208 H168 B8 Cu8 F32 N32 -","- C208 H168 B4 Cu8 F16 N32 -","- C832 H672 B16 Cu32 F64 N128 -","4","1","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","0.71073","MoKα","","0.1105","0.0841","","","0.2206","0.2384","","","","","","1.025","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121442","20.2363","0.0007","14.4798","0.0003","23.167","0.0008","90","","107.135","0.002","90","","6487","0.4","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73 H82 Co2 Fe2 N4 S4 -","- C73 H82 Co2 Fe2 N4 S4 -","- C292 H328 Co8 Fe8 N16 S16 -","4","1","","Albers, Antonia; Demeshko, Serhiy; Dechert, Sebastian; Saouma, Caroline T.; Mayer, James M.; Meyer, Franc","Fast Proton-Coupled Electron Transfer Observed for a High-Fidelity Structural and Functional [2Fe-2S] Rieske Model.","Journal of the American Chemical Society","2014","136","10","3946","3954","10.1021/ja412449v","","","0.71073","MoKα","","0.1128","0.0669","","","0.1397","0.1576","","","","","","1.05","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121443","9.9126","0.0004","41.2369","0.0014","15.839","0.0007","90","","108.107","0.003","90","","6153.8","0.4","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H89 Fe2 N8 O S4 -","- C60 H89 Fe2 N8 O S4 -","- C240 H356 Fe8 N32 O4 S16 -","4","1","","Albers, Antonia; Demeshko, Serhiy; Dechert, Sebastian; Saouma, Caroline T.; Mayer, James M.; Meyer, Franc","Fast Proton-Coupled Electron Transfer Observed for a High-Fidelity Structural and Functional [2Fe-2S] Rieske Model.","Journal of the American Chemical Society","2014","136","10","3946","3954","10.1021/ja412449v","","","0.71073","MoKα","","0.1146","0.0673","","","0.1481","0.168","","","","","","1.01","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121444","10.2488","0.0004","15.4826","0.0007","17.6402","0.0007","73.265","0.003","81.038","0.003","88.624","0.003","2647.2","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H67 Fe2 N7 O3 S4 -","- C51 H67 Fe2 N7 O3 S4 -","- C102 H134 Fe4 N14 O6 S8 -","2","1","","Albers, Antonia; Demeshko, Serhiy; Dechert, Sebastian; Saouma, Caroline T.; Mayer, James M.; Meyer, Franc","Fast Proton-Coupled Electron Transfer Observed for a High-Fidelity Structural and Functional [2Fe-2S] Rieske Model.","Journal of the American Chemical Society","2014","136","10","3946","3954","10.1021/ja412449v","","","0.71073","MoKα","","0.0733","0.05","","","0.1215","0.1311","","","","","","1.039","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121445","9.9172","0.0008","9.9172","0.0008","13.033","0.002","90","","90","","120","","1110.1","0.2","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Mn Na4 U6 -","- F30 Mn Na4.00002 U6 -","- F60 Mn2 Na8.00004 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Application of a Mild Hydrothermal Approach Containing an in Situ Reduction Step to the Growth of Single Crystals of the Quaternary U(IV)-Containing Fluorides Na4MU6F30 (M = Mn(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+)) Crystal Growth, Structures, and Magnetic Properties.","Journal of the American Chemical Society","2014","136","10","3955","3963","10.1021/ja412725r","","","0.71073","MoKα","","0.0512","0.0449","","","0.1089","0.1119","","","","","","1.187","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121446","9.8882","0.0003","9.8882","0.0003","13.0152","0.0009","90","","90","","120","","1102.09","0.09","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Co F30 Na4 U6 -","- Co F30 Na4.00002 U6 -","- Co2 F60 Na8.00004 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Application of a Mild Hydrothermal Approach Containing an in Situ Reduction Step to the Growth of Single Crystals of the Quaternary U(IV)-Containing Fluorides Na4MU6F30 (M = Mn(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+)) Crystal Growth, Structures, and Magnetic Properties.","Journal of the American Chemical Society","2014","136","10","3955","3963","10.1021/ja412725r","","","0.71073","MoKα","","0.0342","0.0304","","","0.0676","0.0689","","","","","","1.148","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121447","9.8623","0.0006","9.8623","0.0006","13.0147","0.0016","90","","90","","120","","1096.28","0.16","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Na4 Ni U6 -","- F30 Na4.00002 Ni U6 -","- F60 Na8.00004 Ni2 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Application of a Mild Hydrothermal Approach Containing an in Situ Reduction Step to the Growth of Single Crystals of the Quaternary U(IV)-Containing Fluorides Na4MU6F30 (M = Mn(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+)) Crystal Growth, Structures, and Magnetic Properties.","Journal of the American Chemical Society","2014","136","10","3955","3963","10.1021/ja412725r","","","0.71073","MoKα","","0.0407","0.0367","","","0.088","0.0898","","","","","","1.161","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121448","9.8826","0.0003","9.8826","0.0003","13.0106","0.0008","90","","90","","120","","1100.45","0.08","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Cu F30 Na4 U6 -","- Cu F30 Na4.02 U6 -","- Cu2 F60 Na8.04 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Application of a Mild Hydrothermal Approach Containing an in Situ Reduction Step to the Growth of Single Crystals of the Quaternary U(IV)-Containing Fluorides Na4MU6F30 (M = Mn(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+)) Crystal Growth, Structures, and Magnetic Properties.","Journal of the American Chemical Society","2014","136","10","3955","3963","10.1021/ja412725r","","","0.71073","MoKα","","0.0327","0.0299","","","0.0702","0.0713","","","","","","1.225","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121449","9.8783","0.0007","9.8783","0.0007","13.0455","0.0018","90","","90","","120","","1102.44","0.19","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Na4 U6 Zn -","- F30 Na4.0002 U6 Zn -","- F60 Na8.0004 U12 Zn2 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Application of a Mild Hydrothermal Approach Containing an in Situ Reduction Step to the Growth of Single Crystals of the Quaternary U(IV)-Containing Fluorides Na4MU6F30 (M = Mn(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+)) Crystal Growth, Structures, and Magnetic Properties.","Journal of the American Chemical Society","2014","136","10","3955","3963","10.1021/ja412725r","","","0.71073","MoKα","","0.0469","0.0361","","","0.0719","0.0757","","","","","","1.079","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121450","15.647","0.0007","17.5051","0.0008","18.3972","0.0009","89.321","0.001","71.715","0.001","69.433","0.001","4452.1","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H73 O2 P -","- C53 H73 O2 P -","- C212 H292 O8 P4 -","4","2","","Lee, Hong Geun; Milner, Phillip J.; Buchwald, Stephen L.","Pd-catalyzed nucleophilic fluorination of aryl bromides.","Journal of the American Chemical Society","2014","136","10","3792","3795","10.1021/ja5009739","","","0.71073","MoKα","","0.0777","0.0667","","","0.18","0.1927","","","","","","1.052","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121451","6.5811","0.0011","7.0763","0.0012","33.062","0.006","90","","90","","90","","1539.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O3 -","- C17 H16 Cl N O3 -","- C68 H64 Cl4 N4 O12 -","4","1","","Teng, Huai-Long; Yao, Lu; Wang, Chun-Jiang","Cu(I)-Catalyzed Regio- and Stereoselective [6 + 3] Cycloaddition of Azomethine Ylides with Tropone: An Efficient Asymmetric Access to Bridged Azabicyclo[4.3.1]decadienes.","Journal of the American Chemical Society","2014","136","10","4075","4080","10.1021/ja500878c","","","0.71073","MoKα","","0.044","0.0359","","","0.0757","0.0805","","","","","","0.995","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121452","23.505","0.003","15.5207","0.0017","20.919","0.002","90","","90","","90","","7631.5","1.5","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17 H17 Cl N2 O3 -","- C17 H17 Cl N2 O3 -","- C272 H272 Cl16 N32 O48 -","16","2","","Teng, Huai-Long; Yao, Lu; Wang, Chun-Jiang","Cu(I)-Catalyzed Regio- and Stereoselective [6 + 3] Cycloaddition of Azomethine Ylides with Tropone: An Efficient Asymmetric Access to Bridged Azabicyclo[4.3.1]decadienes.","Journal of the American Chemical Society","2014","136","10","4075","4080","10.1021/ja500878c","","","0.71073","MoKα","","0.0807","0.0564","","","0.1611","0.1793","","","","","","1.092","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121453","10.5501","0.0007","10.8464","0.0008","14.8158","0.001","97.7821","0.0009","96.6675","0.0009","101.584","0.0008","1627.5","0.2","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H34 N4 -","- C46 H34 N4 -","- C92 H68 N8 -","2","1","","Shima, Kentaro; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro","Enhancing the versatility and functionality of fast photochromic bridged imidazole dimers by flipping imidazole rings.","Journal of the American Chemical Society","2014","136","10","3796","3799","10.1021/ja501028v","","","0.71073","MoKα","","0.0448","0.0389","","","0.0917","0.0965","","","","","","1.005","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121454","13.309","0.003","13.381","0.003","18.906","0.004","90","","98.895","0.003","90","","3326.4","1.3","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 N4 -","- C46 H34 N4 -","- C184 H136 N16 -","4","1","","Shima, Kentaro; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro","Enhancing the versatility and functionality of fast photochromic bridged imidazole dimers by flipping imidazole rings.","Journal of the American Chemical Society","2014","136","10","3796","3799","10.1021/ja501028v","","","0.71073","MoKα","","0.0545","0.0433","","","0.101","0.1075","","","","","","1.013","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121455","4.9531","0.0001","12.3326","0.0003","29.4659","0.0007","90","","90","","90","","1799.91","0.07","120","2","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","","Cong, Huan; Fu, Gregory C.","Catalytic enantioselective cyclization/cross-coupling with alkyl electrophiles.","Journal of the American Chemical Society","2014","136","10","3788","3791","10.1021/ja500706v","","","1.54178","CuKα","","0.0249","0.0244","","","0.0617","0.0627","","","","","","1.053","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121456","7.5438","0.0006","10.6784","0.0009","32.488","0.003","90","","90","","90","","2617.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 Br O4 -","- C29 H35 Br O4 -","- C116 H140 Br4 O16 -","4","1","","Oblak, E. Zachary; Vanheyst, Michael D.; Li, Jin; Wiemer, Andrew J.; Wright, Dennis L.","Cyclopropene cycloadditions with annulated furans: total synthesis of (+)- and (-)-frondosin B and (+)-frondosin a.","Journal of the American Chemical Society","2014","136","11","4309","4315","10.1021/ja413106t","","","1.54178","CuKα","","0.029","0.0283","","","0.0731","0.0737","","","","","","1.028","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121457","7.0876","0.0017","8.3046","0.0019","10.113","0.002","90","","109.547","0.014","90","","560.9","0.2","223","","223","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H10 Br2 O3 -","- C11 H10 Br2 O3 -","- C22 H20 Br4 O6 -","2","1","","Oblak, E. Zachary; Vanheyst, Michael D.; Li, Jin; Wiemer, Andrew J.; Wright, Dennis L.","Cyclopropene cycloadditions with annulated furans: total synthesis of (+)- and (-)-frondosin B and (+)-frondosin a.","Journal of the American Chemical Society","2014","136","11","4309","4315","10.1021/ja413106t","","","0.71075","MoKα","","","0.0532","","","","0.0868","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121458","9.68701","0.00018","10.1076","0.0002","13.631","0.001","100.102","0.007","104.084","0.007","109.826","0.008","1168.12","0.14","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 O4 Si -","- C25 H34 O4 Si -","- C50 H68 O8 Si2 -","2","1","","Oblak, E. Zachary; Vanheyst, Michael D.; Li, Jin; Wiemer, Andrew J.; Wright, Dennis L.","Cyclopropene cycloadditions with annulated furans: total synthesis of (+)- and (-)-frondosin B and (+)-frondosin a.","Journal of the American Chemical Society","2014","136","11","4309","4315","10.1021/ja413106t","","","1.54187","CuKα","","","0.0404","","","","0.1103","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121459","17.8348","0.0017","17.8348","0.0017","17.8348","0.0017","90","","90","","90","","5672.9","0.9","363.15","","363.15","","","","","","","","","4","P n -3","-P 2ab 2bc 3","201","","MOF-801","","- C24 H12 O32 Zr6 -","- C24 H12 O32 Zr6 -","- C96 H48 O128 Zr24 -","4","","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","0.7749","","","0.1002","0.0619","","","0.1553","0.1733","","","","","","1.095","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121460","17.809","0.006","17.831","0.006","17.812","0.006","90.031","0.006","90.182","0.006","89.999","0.006","5656","3","100","","100.15","","","","","","","","","4","P -1","-P 1","2","","MOF-801(SC)","","- C48 H24 O81.17 Zr12 -","- C48 H24 O81.1663 Zr12 -","- C96 H48 O162.333 Zr24 -","2","1","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","0.6199","","","0.2137","0.1763","","","0.3982","0.4263","","","","","","1.053","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121461","39.222","0.003","26.018","0.002","27.887","0.002","90","","90","","90","","28458","4","100","2","100","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C39.17 H16 N14.5 O38.92 Zr6 -","- C39.1666 H16 N14.5 O38.9166 Zr6 -","- C626.666 H256 N232 O622.666 Zr96 -","16","1","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","1.54178","CuKα","","0.0388","0.0382","","","0.1135","0.1157","","","","","","1.074","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121462","17.8736","0.0005","17.8736","","17.8736","","90","","90","","90","","5710","0.16","","","","","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- C4 H2.04 D1.01 O5.78 Zr -","- C4 H2.03667 D1.013 O5.77633 Zr -","- C96 H48.88 D24.312 O138.632 Zr24 -","24","1","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","powder diffraction","neutron","2.078","","","","","","","","","0.05931","","1.01","","","","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121463","35.0764","0.001","35.0764","0.001","35.0764","0.001","90","","90","","90","","43156","2","100","","100.15","","","","","","","","","4","F d -3 m","-F 4vw 2vw 3","227","","","","- C24 H6 O44.35 Zr6 -","- C24 H6 O44.35 Zr6 -","- C384 H96 O709.6 Zr96 -","16","","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","0.7749","","","0.0475","0.0396","","","0.1334","0.1431","","","","","","1.126","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121464","17.9309","0.0004","17.9309","0.0004","17.9309","0.0004","90","","90","","90","","5765.1","0.2","150","2","150.15","","","","","","","","","4","P n -3","-P 2ab 2bc 3","201","","","","- C24 H12 O34.7 Zr6 -","- C24 H12 O34.7 Zr6 -","- C96 H48 O138.8 Zr24 -","4","","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","1.54178","CuKα","","0.0437","0.0393","","","0.1367","0.1407","","","","","","1.249","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121465","14.6766","0.0006","14.6766","0.0006","28.0033","0.001","90","","90","","90","","6032","0.4","150","2","150","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C62 H36 O36 Zr6 -","- C62 H32 O35.04 Zr6 -","- C124 H64 O70.08 Zr12 -","2","0.125","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","0.71073","MoKα","","0.0597","0.0519","","","0.1763","0.1897","","","","","","1.233","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121466","26.8514","0.0007","26.8514","0.0007","26.8514","0.0007","90","","90","","90","","19359.8","0.9","100","","100.15","","","","","","","","","4","F m -3","-F 2 2 3","202","","MOF-806","","- C84 H24 O49.5 Zr6 -","- C84 H24 O49.5 Zr6 -","- C336 H96 O198 Zr24 -","4","0.0416667","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","1.54178","CuKα","","0.0663","0.0631","","","0.2346","0.2388","","","","","","1.297","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121467","23.9651","0.0011","29.2842","0.0013","17.3545","0.0009","90","","96.301","0.002","90","","12105.8","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C95 N0.67 O39.67 Zr6 -","- C94.9998 N0.6666 O39.6666 Zr6 -","- C379.999 N2.6664 O158.666 Zr24 -","4","0.5","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","1.54178","CuKα","","0.0913","0.0732","","","0.2086","0.2288","","","","","","1.084","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121468","10.18","0.0006","11.332","0.0006","14.443","0.0008","92.58","0.004","99.537","0.005","106.924","0.005","1564.26","0.16","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C32 H56 O3 P2 Ru -","- C32 H56 O3 P2 Ru -","- C64 H112 O6 P4 Ru2 -","2","1","","Bontemps, Sébastien; Vendier, Laure; Sabo-Etienne, Sylviane","Ruthenium-catalyzed reduction of carbon dioxide to formaldehyde.","Journal of the American Chemical Society","2014","136","11","4419","4425","10.1021/ja500708w","","x-ray","0.71073","MoKα","","0.0528","0.0454","","","0.1054","0.1098","","","","","","1.029","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121469","13.2848","0.0002","13.6995","0.0005","18.5567","0.0003","90","","101.855","0.002","90","","3305.19","0.14","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H57 O4 P2 Ru -","- C33 H57 O4 P2 Ru -","- C132 H228 O16 P8 Ru4 -","4","1","","Bontemps, Sébastien; Vendier, Laure; Sabo-Etienne, Sylviane","Ruthenium-catalyzed reduction of carbon dioxide to formaldehyde.","Journal of the American Chemical Society","2014","136","11","4419","4425","10.1021/ja500708w","","x-ray","0.71073","MoKα","","0.1072","0.0948","","","0.2438","0.2564","","","","","","1.031","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121470","12.885","0.005","24.182","0.005","27.632","0.005","64.995","0.005","81.383","0.005","75.589","0.005","7547","4","100","","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C37 H69 B O3 P2 Ru -","- C37 H69 B O3 P2 Ru -","- C296 H552 B8 O24 P16 Ru8 -","8","4","","Bontemps, Sébastien; Vendier, Laure; Sabo-Etienne, Sylviane","Ruthenium-catalyzed reduction of carbon dioxide to formaldehyde.","Journal of the American Chemical Society","2014","136","11","4419","4425","10.1021/ja500708w","","","0.71073","MoKα","","0.0426","0.0296","","","0.0658","0.0725","","","","","","1.016","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121471","9.2259","0.0005","10.2376","0.0005","11.1572","0.0006","69.55","0.003","76.935","0.003","84.815","0.003","961.76","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 N2 O5 S -","- C18 H26 N2 O5 S -","- C36 H52 N4 O10 S2 -","2","1","","Kang, Taek; Kim, Youngchan; Lee, Donggun; Wang, Zhen; Chang, Sukbok","Iridium-Catalyzed Intermolecular Amidation of sp(3) C-H Bonds: Late-Stage Functionalization of an Unactivated Methyl Group.","Journal of the American Chemical Society","2014","136","11","4141","4144","10.1021/ja501014b","","","0.71073","MoKα","","0.08","0.0532","","","0.1412","0.1578","","","","","","1.063","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121472","6.062","0.0005","12.0849","0.001","48.626","0.004","90","","90","","90","","3562.3","0.5","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H60 N2 O3 S -","- C38 H60 N2 O3 S -","- C152 H240 N8 O12 S4 -","4","1","","Kang, Taek; Kim, Youngchan; Lee, Donggun; Wang, Zhen; Chang, Sukbok","Iridium-Catalyzed Intermolecular Amidation of sp(3) C-H Bonds: Late-Stage Functionalization of an Unactivated Methyl Group.","Journal of the American Chemical Society","2014","136","11","4141","4144","10.1021/ja501014b","","","0.71073","MoKα","","0.1638","0.0737","","","0.1326","0.1749","","","","","","0.953","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121473","7.3922","0.0005","13.9405","0.0008","34.054","0.002","90","","90","","90","","3509.3","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H60 N2 O3 S -","- C38 H60 N2 O3 S -","- C152 H240 N8 O12 S4 -","4","1","","Kang, Taek; Kim, Youngchan; Lee, Donggun; Wang, Zhen; Chang, Sukbok","Iridium-Catalyzed Intermolecular Amidation of sp(3) C-H Bonds: Late-Stage Functionalization of an Unactivated Methyl Group.","Journal of the American Chemical Society","2014","136","11","4141","4144","10.1021/ja501014b","","","0.71073","MoKα","","0.1115","0.0554","","","0.1229","0.1669","","","","","","0.986","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121474","9.0914","0.0004","10.2457","0.0005","11.6359","0.0006","90","","92.762","0.003","90","","1082.6","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O5 S -","- C23 H30 N2 O5 S -","- C46 H60 N4 O10 S2 -","2","1","","Kang, Taek; Kim, Youngchan; Lee, Donggun; Wang, Zhen; Chang, Sukbok","Iridium-Catalyzed Intermolecular Amidation of sp(3) C-H Bonds: Late-Stage Functionalization of an Unactivated Methyl Group.","Journal of the American Chemical Society","2014","136","11","4141","4144","10.1021/ja501014b","","","0.71073","MoKα","","0.0644","0.0476","","","0.1254","0.1515","","","","","","0.761","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121475","13.1014","0.0013","12.7136","0.0011","10.5927","0.001","90","","95.941","0.003","90","","1754.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C64 H104 N8 O12 S4 -","4","1","","Kang, Taek; Kim, Youngchan; Lee, Donggun; Wang, Zhen; Chang, Sukbok","Iridium-Catalyzed Intermolecular Amidation of sp(3) C-H Bonds: Late-Stage Functionalization of an Unactivated Methyl Group.","Journal of the American Chemical Society","2014","136","11","4141","4144","10.1021/ja501014b","","","0.71073","MoKα","","0.1187","0.0657","","","0.169","0.2025","","","","","","1.062","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121476","5.0571","0.0002","21.8253","0.0008","15.7019","0.0006","90","","92.918","0.002","90","","1730.81","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","TAF89C","toste97","","- C21 H17 Br F N O -","- C21 H17 Br F N O -","- C84 H68 Br4 F4 N4 O4 -","4","2","","Talbot, Eric P. A.; Fernandes, Talita de A; McKenna, Jeffrey M.; Toste, F. Dean","Asymmetric palladium-catalyzed directed intermolecular fluoroarylation of styrenes.","Journal of the American Chemical Society","2014","136","11","4101","4104","10.1021/ja412881j","","","0.71073","MoKα","","0.0349","0.0291","","","0.0518","0.0531","","","","","","1.014","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121477","14.0952","0.001","10.4443","0.0007","18.2567","0.0012","90","","99.535","0.001","90","","2650.5","0.3","105","2","105","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H46 Co N P2 Si -","- C23 H46 Co N P2 Si -","- C92 H184 Co4 N4 P8 Si4 -","4","1","","Obligacion, Jennifer V.; Semproni, Scott P.; Chirik, Paul J.","Cobalt-catalyzed C-h borylation.","Journal of the American Chemical Society","2014","136","11","4133","4136","10.1021/ja500712z","","","0.71073","MoKα","","0.023","0.0207","","","0.0538","0.0552","","","","","","1.043","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121478","11.0403","0.0004","33.7265","0.0008","8.0786","0.0002","90","","90","","90","","3008.07","0.15","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C25 H49 B Co N O2 P2 -","- C25 H49 B Co N O2 P2 -","- C100 H196 B4 Co4 N4 O8 P8 -","4","0.5","","Obligacion, Jennifer V.; Semproni, Scott P.; Chirik, Paul J.","Cobalt-catalyzed C-h borylation.","Journal of the American Chemical Society","2014","136","11","4133","4136","10.1021/ja500712z","","","1.54178","CuKα","","0.0409","0.0384","","","0.108","0.1093","","","","","","1.083","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121479","9.0834","0.0003","14.4022","0.0005","18.6785","0.0008","68.213","0.002","88.702","0.003","88.899","0.002","2268.26","0.15","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cl3 N5 O11 U -","- C46 H46 Cl3 N5 O11 U -","- C92 H92 Cl6 N10 O22 U2 -","2","1","","Ho, I-Ting; Zhang, Zhan; Ishida, Masatoshi; Lynch, Vincent M.; Cha, Won-Young; Sung, Young Mo; Kim, Dongho; Sessler, Jonathan L.","A Hybrid Macrocycle with a Pyridine Subunit Displays Aromatic Character upon Uranyl Cation Complexation.","Journal of the American Chemical Society","2014","136","11","4281","4286","10.1021/ja412520g","","","0.71073","MoKα","","0.0542","0.0353","","","0.0701","0.0769","","","","","","0.985","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121480","14.1607","0.0009","21.6697","0.0014","16.7388","0.0009","90","","106.766","0.004","90","","4918.1","0.5","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C48 H0 N9 O4 S0 -","- C49 H61 N5 O11 S2 -","- C196 H244 N20 O44 S8 -","4","0.5","","Ho, I-Ting; Zhang, Zhan; Ishida, Masatoshi; Lynch, Vincent M.; Cha, Won-Young; Sung, Young Mo; Kim, Dongho; Sessler, Jonathan L.","A Hybrid Macrocycle with a Pyridine Subunit Displays Aromatic Character upon Uranyl Cation Complexation.","Journal of the American Chemical Society","2014","136","11","4281","4286","10.1021/ja412520g","","","0.71075","MoKα","","0.0605","0.055","","","0.1688","0.1778","","","","","","0.762","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121481","10.0069","0.0002","15.8048","0.0003","16.6019","0.0012","90","","100.695","0.007","90","","2580.1","0.2","85","2","85","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 F N3 O3 Pd S -","- C27 H30 F N3 O3 Pd S -","- C108 H120 F4 N12 O12 Pd4 S4 -","4","1","","Pérez-Temprano, Mónica H; Racowski, Joy M.; Kampf, Jeff W.; Sanford, Melanie S.","Competition between sp(3)-C-N vs sp(3)-C-F Reductive Elimination from Pd(IV) Complexes.","Journal of the American Chemical Society","2014","136","11","4097","4100","10.1021/ja411433f","","","1.54178","CuKα","","0.0351","0.0334","","","0.0877","0.0886","","","","","","1.074","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121482","8.1341","0.0001","11.4864","0.0002","13.8266","0.001","83.636","0.006","76.609","0.005","73.151","0.005","1201.44","0.1","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 N3 O2 Pd S -","- C27 H27 N3 O2 Pd S -","- C54 H54 N6 O4 Pd2 S2 -","2","1","","Pérez-Temprano, Mónica H; Racowski, Joy M.; Kampf, Jeff W.; Sanford, Melanie S.","Competition between sp(3)-C-N vs sp(3)-C-F Reductive Elimination from Pd(IV) Complexes.","Journal of the American Chemical Society","2014","136","11","4097","4100","10.1021/ja411433f","","","1.54178","CuKα","","0.0285","0.0284","","","0.0694","0.0695","","","","","","1.144","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121483","8.7508","0.0002","13.0966","0.0002","13.8038","0.001","113.119","0.008","90.846","0.006","107.26","0.007","1373.82","0.16","85","2","85","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H30 Cl2 F N3 O2 Pd S -","- C28 H30 Cl2 F N3 O2 Pd S -","- C56 H60 Cl4 F2 N6 O4 Pd2 S2 -","2","1","","Pérez-Temprano, Mónica H; Racowski, Joy M.; Kampf, Jeff W.; Sanford, Melanie S.","Competition between sp(3)-C-N vs sp(3)-C-F Reductive Elimination from Pd(IV) Complexes.","Journal of the American Chemical Society","2014","136","11","4097","4100","10.1021/ja411433f","","","1.54178","CuKα","","0.0307","0.0303","","","0.0797","0.0801","","","","","","1.074","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121484","18.4583","0.0015","18.8093","0.0015","26.944","0.002","90","","90","","90","","9354.6","1.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","CS-14145","hartwig33","","- C96 H81 Cl2 Ir2 N O11 P4 -","- C96 H81 Cl2 Ir2 N O11 P4 -","- C384 H324 Cl8 Ir8 N4 O44 P16 -","4","1","","Sevov, Christo S.; Zhou, Jianrong Steve; Hartwig, John F.","Iridium-Catalyzed, Intermolecular Hydroamination of Unactivated Alkenes with Indoles.","Journal of the American Chemical Society","2014","136","8","3200","","10.1021/ja412116d","","","0.71073","MoKα","","0.0485","0.0391","","","0.077","0.0803","","","","","","1.064","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121485","13.3232","0.0007","24.2827","0.0011","15.9879","0.0008","90","","109.445","0.0016","90","","4877.4","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","hb123","","","- C38 H38 F6 Ir N4 O2 P -","- C38 H38 F6 Ir N4 O2 P -","- C152 H152 F24 Ir4 N16 O8 P4 -","4","2","","Huo, Haohua; Fu, Chen; Harms, Klaus; Meggers, Eric","Asymmetric Catalysis with Substitutionally Labile yet Stereochemically Stable Chiral-at-Metal Iridium(III) Complex.","Journal of the American Chemical Society","2014","136","8","2990","2993","10.1021/ja4132505","","","0.71073","MoKα","","0.0328","0.0305","","","0.072","0.0728","","","","","","1.067","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121486","4.0955","0.0003","9.3869","0.0006","10.9006","0.0006","92.236","0.003","98.986","0.003","97.468","0.004","409.66","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H5 Cl2 N3 -","- C7 H5 Cl2 N3 -","- C14 H10 Cl4 N6 -","2","1","","Shannon, D. Alexander; Banerjee, Ranjan; Webster, Elizabeth R.; Bak, Daniel W.; Wang, Chu; Weerapana, Eranthie","Investigating the proteome reactivity and selectivity of aryl halides.","Journal of the American Chemical Society","2014","136","9","3330","3333","10.1021/ja4116204","","","0.71073","MoKα","","0.0359","0.0281","","","0.0688","0.0748","","","","","","1.067","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121487","8.8558","0.0006","10.4095","0.0007","11.3264","0.0007","89.959","0.002","68.696","0.002","68.458","0.002","894.15","0.1","100","2","99.97","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 I O6 -","- C20 H19 I O6 -","- C40 H38 I2 O12 -","2","1","","Qi, Chao; Qin, Tian; Suzuki, Daisuke; Porco, Jr, John A","Total synthesis and stereochemical assignment of (±)-sorbiterrin a.","Journal of the American Chemical Society","2014","136","9","3374","3377","10.1021/ja500854q","","","1.54178","CuKα","","0.0442","0.0416","","","0.1051","0.1054","","","","","","1.112","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121488","10.0191","0.0003","10.3912","0.0003","15.5553","0.0005","90","","98.703","0.001","90","","1600.82","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 O6 -","- C18.229 H18.068 O5.517 -","- C72.916 H72.272 O22.068 -","4","1","","Qi, Chao; Qin, Tian; Suzuki, Daisuke; Porco, Jr, John A","Total synthesis and stereochemical assignment of (±)-sorbiterrin a.","Journal of the American Chemical Society","2014","136","9","3374","3377","10.1021/ja500854q","","","1.54178","CuKα","","0.1139","0.1131","","","0.2492","0.2496","","","","","","3.1","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121489","25.87","0.008","8.298","0.003","24.8","0.008","90","","107.769","0.006","90","","5070","3","200","2","200","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H80 Cr N6 -","- C54 H80 Cr N6 -","- C216 H320 Cr4 N24 -","4","1","","Shen, Jingmei; Yap, Glenn P. A.; Theopold, Klaus H.","Chromium mediated reductive coupling of isonitrile forms unusual heterocycles.","Journal of the American Chemical Society","2014","136","9","3382","3384","10.1021/ja501291p","","","0.71073","MoKα","","0.1084","0.0682","","","0.1568","0.1837","","","","","","1.04","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121490","21.584","0.008","25.618","0.009","32.868","0.011","90","","90","","90","","18174","11","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C96 H143 Cr2 N10 O0.5 -","- C96 H143 Cr2 N10 O0.5 -","- C768 H1144 Cr16 N80 O4 -","8","1","","Shen, Jingmei; Yap, Glenn P. A.; Theopold, Klaus H.","Chromium mediated reductive coupling of isonitrile forms unusual heterocycles.","Journal of the American Chemical Society","2014","136","9","3382","3384","10.1021/ja501291p","","","0.71073","MoKα","","0.1098","0.0648","","","0.1438","0.1731","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121491","29.418","0.009","13.005","0.004","27.439","0.013","90","","112.616","0.005","90","","9690","6","195","2","195","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H158 Cr2 N10 O2 -","- C94 H138 Cr2 N10 -","- C376 H552 Cr8 N40 -","4","0.5","","Shen, Jingmei; Yap, Glenn P. A.; Theopold, Klaus H.","Chromium mediated reductive coupling of isonitrile forms unusual heterocycles.","Journal of the American Chemical Society","2014","136","9","3382","3384","10.1021/ja501291p","","","0.71073","MoKα","","0.1782","0.0831","","","0.1595","0.1947","","","","","","1.014","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121492","12.724","0.0012","15.622","0.0016","37.4","0.004","90","","99.11","0.02","90","","7340.4","1.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H116 Cr2 N8 -","- C80 H116 Cr2 N8 -","- C320 H464 Cr8 N32 -","4","1","","Shen, Jingmei; Yap, Glenn P. A.; Theopold, Klaus H.","Chromium mediated reductive coupling of isonitrile forms unusual heterocycles.","Journal of the American Chemical Society","2014","136","9","3382","3384","10.1021/ja501291p","","","0.71073","MoKα","","0.1023","0.0738","","","0.1814","0.2285","","","","","","1.012","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121493","13.796","0.007","9.955","0.005","18.18","0.007","90","","129.66","0.02","90","","1922.2","1.7","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H68 N6 -","- C42 H68 N6 -","- C84 H136 N12 -","2","0.5","","Shen, Jingmei; Yap, Glenn P. A.; Theopold, Klaus H.","Chromium mediated reductive coupling of isonitrile forms unusual heterocycles.","Journal of the American Chemical Society","2014","136","9","3382","3384","10.1021/ja501291p","","","0.71073","MoKα","","0.1435","0.0606","","","0.0919","0.1123","","","","","","1.012","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121494","8.9759","0.001","11.1688","0.0013","12.3629","0.0014","68.596","0.002","69.139","0.002","77.785","0.002","1073.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 F N3 O4 S -","- C23 H20 F N3 O4 S -","- C46 H40 F2 N6 O8 S2 -","2","1","","Shang, Ming; Sun, Shang-Zheng; Dai, Hui-Xiong; Yu, Jin-Quan","Cu(II)-Mediated C-H Amidation and Amination of Arenes: Exceptional Compatibility with Heterocycles.","Journal of the American Chemical Society","2014","136","9","3354","3357","10.1021/ja412880r","","","0.71073","MoKα","","0.0637","0.048","","","0.1316","0.1456","","","","","","1.037","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121495","27.175","0.0009","27.175","0.0009","5.2579","0.0002","90","","90","","90","","3882.9","0.2","100","2","100","2","","","","","","","","6","I 4","I 4","79","","","","- C22 H19 Br N O P -","- C22 H19 Br N O P -","- C176 H152 Br8 N8 O8 P8 -","8","1","","Mszar, Nicholas W.; Haeffner, Fredrik; Hoveyda, Amir H.","NHC-Cu-Catalyzed Addition of Propargylboron Reagents to Phosphinoylimines. Enantioselective Synthesis of Trimethylsilyl-Substituted Homoallenylamides and Application to the Synthesis of S-(-)-Cyclooroidin.","Journal of the American Chemical Society","2014","136","9","3362","3365","10.1021/ja500373s","","","0.71073","MoKα","","0.1098","0.077","","","0.1752","0.1901","","","","","","1.058","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121496","19.8739","0.0008","10.2459","0.0005","24.6435","0.0009","90","","96.599","0.003","90","","4984.8","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H27 Br N O P Si -","- C25 H27 Br N O P Si -","- C200 H216 Br8 N8 O8 P8 Si8 -","8","4","","Mszar, Nicholas W.; Haeffner, Fredrik; Hoveyda, Amir H.","NHC-Cu-Catalyzed Addition of Propargylboron Reagents to Phosphinoylimines. Enantioselective Synthesis of Trimethylsilyl-Substituted Homoallenylamides and Application to the Synthesis of S-(-)-Cyclooroidin.","Journal of the American Chemical Society","2014","136","9","3362","3365","10.1021/ja500373s","","","1.54178","CuKα","","0.0999","0.0626","","","0.153","0.1717","","","","","","1.013","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121497","5.3586","0.0005","15.5598","0.0015","21.571","0.002","90","","94.462","0.005","90","","1793.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N O P -","- C22 H20 N O P -","- C88 H80 N4 O4 P4 -","4","2","","Mszar, Nicholas W.; Haeffner, Fredrik; Hoveyda, Amir H.","NHC-Cu-Catalyzed Addition of Propargylboron Reagents to Phosphinoylimines. Enantioselective Synthesis of Trimethylsilyl-Substituted Homoallenylamides and Application to the Synthesis of S-(-)-Cyclooroidin.","Journal of the American Chemical Society","2014","136","9","3362","3365","10.1021/ja500373s","","","0.71073","MoKα","","0.0305","0.0297","","","0.0785","0.0791","","","","","","1.066","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121498","11.5293","0.001","12.2573","0.001","16.7699","0.0014","94.757","0.004","101.488","0.004","115.104","0.004","2065.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Complex 2","","","- C39 H60 Cl N4 P3 Th -","- C39 H60 Cl N4 P3 Th -","- C78 H120 Cl2 N8 P6 Th2 -","2","1","","Ward, Ashleigh L.; Lukens, Wayne W.; Lu, Connie C.; Arnold, John","Photochemical route to actinide-transition metal bonds: synthesis, characterization and reactivity of a series of thorium and uranium heterobimetallic complexes.","Journal of the American Chemical Society","2014","136","9","3647","3654","10.1021/ja413192m","","","0.71073","MoKα","","0.0766","0.047","","","0.0666","0.0743","","","","","","1.006","","","","has coordinates","275247","2022-05-09","01:36:16",""
"4121499","13.5354","0.0004","16.0795","0.0003","33.6127","0.0008","95.019","0.001","97.555","0.001","106.033","0.001","6910.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Complex 3","","","- C39 H60 Cl N4 P3 U -","- C39 H60 Cl N4 P3 U -","- C234 H360 Cl6 N24 P18 U6 -","6","3","","Ward, Ashleigh L.; Lukens, Wayne W.; Lu, Connie C.; Arnold, John","Photochemical route to actinide-transition metal bonds: synthesis, characterization and reactivity of a series of thorium and uranium heterobimetallic complexes.","Journal of the American Chemical Society","2014","136","9","3647","3654","10.1021/ja413192m","","","0.71073","MoKα","","0.107","0.0547","","","0.0984","0.1109","","","","","","0.927","","","","has coordinates","275247","2022-05-09","01:36:46",""
"4121500","11.2506","0.0014","15.9358","0.0019","29.701","0.004","82.195","0.006","83.056","0.006","83.218","0.006","5208.9","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Complex 4","","","- C46.5 H64 Co N4 O4 P3 Th -","- C46.5 H64 Co N4 O4 P3 Th -","- C186 H256 Co4 N16 O16 P12 Th4 -","4","2","","Ward, Ashleigh L.; Lukens, Wayne W.; Lu, Connie C.; Arnold, John","Photochemical route to actinide-transition metal bonds: synthesis, characterization and reactivity of a series of thorium and uranium heterobimetallic complexes.","Journal of the American Chemical Society","2014","136","9","3647","3654","10.1021/ja413192m","","","0.71073","MoKα","","0.0659","0.0423","","","0.0715","0.0765","","","","","","1.039","","","","has coordinates","275247","2022-05-09","01:36:48",""
"4121501","23.0608","0.0009","14.0118","0.0006","14.0919","0.0006","90","","90","","90","","4553.4","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","Complex 5","","","- C43 H60 Co N4 O4 P3 U -","- C43 H60 Co N4 O4 P3 U -","- C172 H240 Co4 N16 O16 P12 U4 -","4","1","","Ward, Ashleigh L.; Lukens, Wayne W.; Lu, Connie C.; Arnold, John","Photochemical route to actinide-transition metal bonds: synthesis, characterization and reactivity of a series of thorium and uranium heterobimetallic complexes.","Journal of the American Chemical Society","2014","136","9","3647","3654","10.1021/ja413192m","","","0.71073","MoKα","","0.0654","0.0479","","","0.1112","0.1175","","","","","","0.955","","","","has coordinates","275247","2022-05-09","01:37:06",""
"4121502","11.0757","0.0007","14.0911","0.0008","18.714","0.0011","80.318","0.002","74.876","0.002","89.511","0.003","2777.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Complex 6","","","- C42 H60 Co N4 O3 P3 Th -","- C42 H60 Co N4 O3 P3 Th -","- C84 H120 Co2 N8 O6 P6 Th2 -","2","1","","Ward, Ashleigh L.; Lukens, Wayne W.; Lu, Connie C.; Arnold, John","Photochemical route to actinide-transition metal bonds: synthesis, characterization and reactivity of a series of thorium and uranium heterobimetallic complexes.","Journal of the American Chemical Society","2014","136","9","3647","3654","10.1021/ja413192m","","","0.71073","MoKα","","0.0357","0.0304","","","0.0716","0.0736","","","","","","1.039","","","","has coordinates","275247","2022-05-09","01:37:09",""
"4121503","14.0553","0.0004","18.7308","0.0005","22.2945","0.0006","73.83","0.001","89.024","0.001","80.541","0.001","5558","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Complex 7","","","- C52.5 H72 Co N4 O3 P3 U -","- C52.5 H72 Co N4 O3 P3 U -","- C210 H288 Co4 N16 O12 P12 U4 -","4","2","","Ward, Ashleigh L.; Lukens, Wayne W.; Lu, Connie C.; Arnold, John","Photochemical route to actinide-transition metal bonds: synthesis, characterization and reactivity of a series of thorium and uranium heterobimetallic complexes.","Journal of the American Chemical Society","2014","136","9","3647","3654","10.1021/ja413192m","","","0.71073","MoKα","","0.0598","0.0439","","","0.0937","0.0986","","","","","","1.057","","","","has coordinates","275247","2022-05-09","01:37:18",""
"4121504","15.408","0.003","13.224","0.003","20.014","0.004","90","","104.28","0.03","90","","3952","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis-cyclopentadienylruthenium dicarbonyl[C60]fullerene","","","- C74 H10 O4 Ru2 -","- C74 H10 O4 Ru2 -","- C296 H40 O16 Ru8 -","4","1","","Bowles, Faye L.; Olmstead, Marilyn M.; Balch, Alan L.","Preparation and Crystallographic Characterization of C60{η(1)-Ru(CO)2(η(5)-C5H5)}2: A Locally Crowded Organometallic Fullerene Without the Usual η(2)-Bonding.","Journal of the American Chemical Society","2014","136","9","3338","3341","10.1021/ja4120677","","","0.7749","synchrotron","","0.0562","0.051","","","0.1545","0.1581","","","","","","1.148","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121505","9.4299","0.0005","10.1574","0.0005","12.4173","0.0006","90","","91.865","0.007","90","","1188.74","0.1","98","2","98","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H25 Br3 O4 -","- C26 H25 Br3 O4 -","- C52 H50 Br6 O8 -","2","1","","Morisaki, Yasuhiro; Gon, Masayuki; Sasamori, Takahiro; Tokitoh, Norihiro; Chujo, Yoshiki","Planar chiral tetrasubstituted [2.2]paracyclophane: optical resolution and functionalization.","Journal of the American Chemical Society","2014","136","9","3350","3353","10.1021/ja412197j","","","0.71075","MoKa","","0.0328","0.0275","","","0.0539","0.067","","","","","","1.089","","","","has coordinates","275213","2022-05-08","20:58:49",""
"4121506","31.272","0.005","20.035","0.003","9.3941","0.0014","90","","94.822","0.008","90","","5864.9","1.6","103","2","103","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C72 H68 O4 -","- C72 H68 O4 -","- C288 H272 O16 -","4","0.5","","Morisaki, Yasuhiro; Gon, Masayuki; Sasamori, Takahiro; Tokitoh, Norihiro; Chujo, Yoshiki","Planar chiral tetrasubstituted [2.2]paracyclophane: optical resolution and functionalization.","Journal of the American Chemical Society","2014","136","9","3350","3353","10.1021/ja412197j","","","0.71075","MoKa","","0.1817","0.1185","","","0.3363","0.396","","","","","","1.385","","","","has coordinates,has disorder","275199","2022-05-07","03:20:01",""
"4121507","6.4145","0.0003","14.2125","0.0006","15.8067","0.0007","90","","100.228","0.007","90","","1418.14","0.11","98","2","98","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 Br3 Cl3 O4 -","- C27 H26 Br3 Cl3 O4 -","- C54 H52 Br6 Cl6 O8 -","2","1","","Morisaki, Yasuhiro; Gon, Masayuki; Sasamori, Takahiro; Tokitoh, Norihiro; Chujo, Yoshiki","Planar chiral tetrasubstituted [2.2]paracyclophane: optical resolution and functionalization.","Journal of the American Chemical Society","2014","136","9","3350","3353","10.1021/ja412197j","","","0.71075","MoKa","","0.0298","0.0258","","","0.0459","0.0484","","","","","","1.016","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121508","16.706","0.0004","10.6702","0.0004","14.0656","0.0004","90","","97.273","0.005","90","","2487.11","0.13","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 N7 -","- C31 H27 N7 -","- C124 H108 N28 -","4","0.5","","Stadler, Adrian-Mihail; Lehn, Jean-Marie P","Coupled Nanomechanical Motions: Metal-Ion-Effected, pH-Modulated, Simultaneous Extension/Contraction Motions of Double-Domain Helical/Linear Molecular Strands.","Journal of the American Chemical Society","2014","136","9","3400","3409","10.1021/ja408752m","","","0.71073","MoKα","","0.0914","0.0563","","","0.1178","0.1305","","","","","","1.029","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121509","11.7399","0.0007","15.2644","0.0009","16.1523","0.001","92.087","0.001","108.693","0.001","104.202","0.001","2637.1","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H31 F12 N11 O12 Pb2 S4 -","- C40 H31 F12 N11 O12 Pb2 S4 -","- C80 H62 F24 N22 O24 Pb4 S8 -","2","1","","Stadler, Adrian-Mihail; Lehn, Jean-Marie P","Coupled Nanomechanical Motions: Metal-Ion-Effected, pH-Modulated, Simultaneous Extension/Contraction Motions of Double-Domain Helical/Linear Molecular Strands.","Journal of the American Chemical Society","2014","136","9","3400","3409","10.1021/ja408752m","","","0.71073","MoKα","","0.0706","0.0435","","","0.1131","0.1253","","","","","","1.028","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121510","17.9002","0.0002","17.2758","0.0002","28.6959","0.0004","90","","106.539","0.001","90","","8506.78","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H57 F18 N25 O19 Pb3 S6 -","- C55 H57 F18 N25 O19 Pb3 S6 -","- C220 H228 F72 N100 O76 Pb12 S24 -","4","1","","Stadler, Adrian-Mihail; Lehn, Jean-Marie P","Coupled Nanomechanical Motions: Metal-Ion-Effected, pH-Modulated, Simultaneous Extension/Contraction Motions of Double-Domain Helical/Linear Molecular Strands.","Journal of the American Chemical Society","2014","136","9","3400","3409","10.1021/ja408752m","","","0.71073","MoKα","","0.142","0.0721","","","0.1583","0.1918","","","","","","1.067","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121511","13.7212","0.0001","16.5853","0.0002","21.4884","0.0002","97.914","0.001","99.687","0.001","91.271","0.001","4769.33","0.08","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H29.5 F12 N12.5 O12.5 Pb2 S4 -","- C32 H29.5 F12 N12.5 O12.5 Pb2 S4 -","- C128 H118 F48 N50 O50 Pb8 S16 -","4","2","","Stadler, Adrian-Mihail; Lehn, Jean-Marie P","Coupled Nanomechanical Motions: Metal-Ion-Effected, pH-Modulated, Simultaneous Extension/Contraction Motions of Double-Domain Helical/Linear Molecular Strands.","Journal of the American Chemical Society","2014","136","9","3400","3409","10.1021/ja408752m","","","0.71073","MoKα","","0.0829","0.0492","","","0.1148","0.1373","","","","","","1.038","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4121512","10.003","","15.818","","17.837","","113.04","","92.89","","105.44","","2465.12","","153","2","153","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","C60CH2SiMe2C6H4EHOdimer_CHCl3","","- C79 H30 Cl3 O Si -","- C79 H30 Cl3 O Si -","- C158 H60 Cl6 O2 Si2 -","2","1","","Abe, Yoko; Tanaka, Hideyuki; Guo, Yunlong; Matsuo, Yutaka; Nakamura, Eiichi","Mobility of long-lived fullerene radical in solid state and nonlinear temperature dependence.","Journal of the American Chemical Society","2014","136","9","3366","3369","10.1021/ja500340f","","x-ray","1.5418","CuKα","","0.2565","0.1366","","","0.3477","0.4407","","","","","","1.078","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121514","4.614","0.001","4.614","0.001","4.614","0.001","90","","90","","90","","98.23","0.04","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Lithium Oxide","","- Li2 O -","- Li2 O -","- Li8 O4 -","4","0.0208333","","David, William I. F.; Jones, Martin O.; Gregory, Duncan H.; Jewell, Catherine M.; Johnson, Simon R.; Walton, Allan; Edwards, Peter P.","A mechanism for non-stoichiometry in the lithium amide/lithium imide hydrogen storage reaction","Journal of the American Chemical Society","2007","129","6","1594","1601","10.1021/ja066016s","","","","","","0.0766","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4121515","4.6124","0.0001","4.6124","0.0001","4.6124","0.0001","90","","90","","90","","98.125","0.004","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Lithium Oxide","","- Li2 O -","- Li2 O -","- Li8 O4 -","4","0.0208333","","David, W. I. F.; Jones, M. O.; Gregory, D. H.; Jewell, C. M.; Johnson, S. R.; Walton, A.; Edwards, P. P.","A mechanism for non-stoichiometry in the lithium amide/lithium imide hydrogen storage reaction","Journal of the American Chemical Society","2007","129","","1594","1601","10.1021/ja066016s","","","","","","0.0724","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121516","9.2666","0.0003","14.3505","0.0005","14.8731","0.0005","82.2","0.002","88.838","0.002","87.538","0.002","1957.51","0.11","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H36 F6 I N2 O6 Rh S2 -","- C36 H36 F6 I N2 O6 Rh S2 -","- C72 H72 F12 I2 N4 O12 Rh2 S4 -","2","1","","Xie, Fang; Qi, Zisong; Yu, Songjie; Li, Xingwei","Rh(III)- and Ir(III)-Catalyzed C-H Alkynylation of Arenes under Chelation Assistance.","Journal of the American Chemical Society","2014","136","12","4780","4787","10.1021/ja501910e","","","0.71073","MoKα","","0.0295","0.0255","","","0.0597","0.0627","","","","","","1.016","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121517","10.8806","0.0004","13.5311","0.0004","20.3845","0.0007","83.2982","0.0019","80.3787","0.0018","68.0669","0.0017","2739.92","0.16","100","2","100","","","","","","","","","10","P -1","-P 1","2","","","","- C56 H54 B2 Cl2 F8 N4 O2 P2 Pt S2 -","- C56 H54 B2 Cl2 F8 N4 O2 P2 Pt S2 -","- C112 H108 B4 Cl4 F16 N8 O4 P4 Pt2 S4 -","2","1","","McGuirk, C. Michael; Stern, Charlotte L.; Mirkin, Chad A.","Small molecule regulation of self-association and catalytic activity in a supramolecular coordination complex.","Journal of the American Chemical Society","2014","136","12","4689","4696","10.1021/ja500214r","","","0.71073","MoKα","","0.0641","0.0416","","","0.0884","0.0937","","","","","","0.97","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121518","8.6924","0.0006","8.9976","0.0006","29.0972","0.0018","90","","90","","90","","2275.7","0.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 O5 Si -","- C23 H38 O5 Si -","- C92 H152 O20 Si4 -","4","1","","Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel","Acylammonium salts as dienophiles in diels-alder/lactonization organocascades.","Journal of the American Chemical Society","2014","136","12","4492","4495","10.1021/ja501005g","","","1.54178","CuKα","","0.0322","0.0299","","","0.0708","0.0715","","","","","","1.044","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121519","13.4034","0.0009","13.4037","0.0009","17.8225","0.0013","89.539","0.005","89.62","0.005","87.393","0.005","3198.4","0.4","110","","110","","","","","","","","","6","P 1","P 1","1","","","","- C30 H46 Br N O5 Si -","- C30 H46 Br N O5 Si -","- C120 H184 Br4 N4 O20 Si4 -","4","4","","Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel","Acylammonium salts as dienophiles in diels-alder/lactonization organocascades.","Journal of the American Chemical Society","2014","136","12","4492","4495","10.1021/ja501005g","","x-ray","1.54178","CuKα","","0.1063","0.0896","","","0.2171","0.2373","","","","","","1.089","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121520","16.6474","0.0007","34.4793","0.0014","19.1312","0.0008","90","","95.85","0.002","90","","10923.9","0.8","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H34 O5 Si -","- C20 H34 O5 Si -","- C400 H680 O100 Si20 -","20","10","","Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel","Acylammonium salts as dienophiles in diels-alder/lactonization organocascades.","Journal of the American Chemical Society","2014","136","12","4492","4495","10.1021/ja501005g","","","1.54178","CuKα","","0.061","0.0551","","","0.1469","0.1564","","","","","","1.069","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121521","17.5207","0.001","17.5207","0.001","15.1261","0.0018","90","","90","","90","","4643.3","0.7","173","2","173","2","","","","","","","","5","P -4 c 2","P -4 -2c","116","","","","- C39 H24 Co3 N5 O13 -","- C39 H24 Co3 N5 O13 -","- C156 H96 Co12 N20 O52 -","4","0.5","","Zeng, Ming-Hua; Yin, Zheng; Tan, Yan-Xi; Zhang, Wei-Xiong; He, Yan-Ping; Kurmoo, Mohamedally","Nanoporous Cobalt(II) MOF Exhibiting Four Magnetic Ground States and Changes in Gas Sorption upon Post-Synthetic Modification.","Journal of the American Chemical Society","2014","136","12","4680","4688","10.1021/ja500191r","","","0.71073","MoKα","","0.0564","0.046","","","0.13","0.14","","","","","","1.071","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121522","17.5191","0.0012","17.5191","0.0012","15.163","0.002","90","","90","","90","","4653.8","0.8","110","2","110","2","","","","","","","","5","P -4 c 2","P -4 -2c","116","","","","- C36 H24 Co3 N2 O16 -","- C36 H24 Co3 N2 O16 -","- C144 H96 Co12 N8 O64 -","4","0.5","","Zeng, Ming-Hua; Yin, Zheng; Tan, Yan-Xi; Zhang, Wei-Xiong; He, Yan-Ping; Kurmoo, Mohamedally","Nanoporous Cobalt(II) MOF Exhibiting Four Magnetic Ground States and Changes in Gas Sorption upon Post-Synthetic Modification.","Journal of the American Chemical Society","2014","136","12","4680","4688","10.1021/ja500191r","","","0.71073","MoKα","","0.046","0.0368","","","0.0937","0.0999","","","","","","1.1","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121523","17.5748","0.001","17.5748","0.001","15.2896","0.0018","90","","90","","90","","4722.6","0.7","298","2","298","2","","","","","","","","5","P -4 c 2","P -4 -2c","116","","","","- C30 H24 Co3 N2 O10 -","- C30 H24 Co3 N2 O10 -","- C120 H96 Co12 N8 O40 -","4","0.5","","Zeng, Ming-Hua; Yin, Zheng; Tan, Yan-Xi; Zhang, Wei-Xiong; He, Yan-Ping; Kurmoo, Mohamedally","Nanoporous Cobalt(II) MOF Exhibiting Four Magnetic Ground States and Changes in Gas Sorption upon Post-Synthetic Modification.","Journal of the American Chemical Society","2014","136","12","4680","4688","10.1021/ja500191r","","","0.71073","MoKα","","0.072","0.0392","","","0.0802","0.0922","","","","","","1.04","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121524","17.5096","0.0004","17.5096","0.0004","15.1902","0.0007","90","","90","","90","","4657.1","0.3","173","2","173","2","","","","","","","","5","P -4 c 2","P -4 -2c","116","","","","- C36 H38 Co3 N2 O12 -","- C36 H38 Co3 N2 O12 -","- C144 H152 Co12 N8 O48 -","4","0.5","","Zeng, Ming-Hua; Yin, Zheng; Tan, Yan-Xi; Zhang, Wei-Xiong; He, Yan-Ping; Kurmoo, Mohamedally","Nanoporous Cobalt(II) MOF Exhibiting Four Magnetic Ground States and Changes in Gas Sorption upon Post-Synthetic Modification.","Journal of the American Chemical Society","2014","136","12","4680","4688","10.1021/ja500191r","","","0.71073","MoKα","","0.0675","0.0637","","","0.1638","0.1662","","","","","","1.138","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121525","17.531","0.0009","17.531","0.0009","15.0883","0.0015","90","","90","","90","","4637.2","0.6","173","2","173","2","","","","","","","","5","P -4 c 2","P -4 -2c","116","","","","- C42 H36 Co3 N2 O10 -","- C42 H36 Co3 N2 O10 -","- C168 H144 Co12 N8 O40 -","4","0.5","","Zeng, Ming-Hua; Yin, Zheng; Tan, Yan-Xi; Zhang, Wei-Xiong; He, Yan-Ping; Kurmoo, Mohamedally","Nanoporous Cobalt(II) MOF Exhibiting Four Magnetic Ground States and Changes in Gas Sorption upon Post-Synthetic Modification.","Journal of the American Chemical Society","2014","136","12","4680","4688","10.1021/ja500191r","","","0.71073","MoKα","","0.0529","0.0502","","","0.1451","0.1483","","","","","","1.117","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121526","39.1799","0.0004","39.1799","0.0004","34.8255","0.001","90","","90","","90","","53459.4","1.7","150","2","150","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C142 H88 Ir N40 O22 Pd1.5 Ru2 -","- C142 H88 Ir N40 O22 Pd1.5 Ru2 -","- C1136 H704 Ir8 N320 O176 Pd12 Ru16 -","8","1","","Li, Kang; Zhang, Lu-Yin; Yan, Cheng; Wei, Shi-Chao; Pan, Mei; Zhang, Li; Su, Cheng-Yong","Stepwise Assembly of Pd6(RuL3)8 Nanoscale Rhombododecahedral Metal-Organic Cages via Metalloligand Strategy for Guest Trapping and Protection.","Journal of the American Chemical Society","2014","136","12","4456","4459","10.1021/ja410044r","","","1.54178","CuKα","","0.1566","0.0872","","","0.1787","0.1977","","","","","","0.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121527","8.0386","0.0016","9.6277","0.0019","24.585","0.005","90","","90","","90","","1902.7","0.7","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Br N2 O -","- C20 H23 Br N2 O -","- C80 H92 Br4 N8 O4 -","4","1","","West, Thomas H.; Daniels, David S. B.; Slawin, Alexandra M. Z.; Smith, Andrew D.","An isothiourea-catalyzed asymmetric [2,3]-rearrangement of allylic ammonium ylides.","Journal of the American Chemical Society","2014","136","12","4476","4479","10.1021/ja500758n","","","0.71075","MoKα","","","0.0257","","","","0.0623","","","","","","0.867","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121528","14.4757","0.0004","16.3546","0.0005","16.9708","0.0004","90","","90","","90","","4017.74","0.19","130","2","130","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H64 F6 Ni2 P4 -","- C34 H64 F6 Ni2 P4 -","- C136 H256 F24 Ni8 P16 -","4","1","","Arévalo, Alma; Tlahuext-Aca, Adrian; Flores-Alamo, Marcos; García, Juventino J","On the catalytic hydrodefluorination of fluoroaromatics using nickel complexes: the true role of the phosphine.","Journal of the American Chemical Society","2014","136","12","4634","4639","10.1021/ja412268y","","x-ray","0.71073","MoKα","","0.0366","0.0306","","","0.0631","0.0666","","","","","","1.044","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121529","7.5958","0.0006","8.2688","0.0009","9.8593","0.0009","74.385","0.009","72.833","0.008","83.76","0.008","569.53","0.1","125","2","125","2","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C20 H33 F5 Ni P2 -","- C20 H33 F5 Ni P2 -","- C20 H33 F5 Ni P2 -","1","1","","Arévalo, Alma; Tlahuext-Aca, Adrian; Flores-Alamo, Marcos; García, Juventino J","On the catalytic hydrodefluorination of fluoroaromatics using nickel complexes: the true role of the phosphine.","Journal of the American Chemical Society","2014","136","12","4634","4639","10.1021/ja412268y","","x-ray","1.54184","CuKα","","0.068","0.0611","","","0.1555","0.1639","","","","","","1.055","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121530","6.6172","0.0003","15.1115","0.0007","37.1855","0.0018","90","","90","","90","","3718.4","0.3","83","2","83","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20.5 H19 B N O5.5 -","- C20.5 H19 B N O5.5 -","- C164 H152 B8 N8 O44 -","8","1","","Hirner, Joshua J.; Faizi, Darius J.; Blum, Suzanne A.","Alkoxyboration: Ring-Closing Addition of B-O σ Bonds across Alkynes.","Journal of the American Chemical Society","2014","136","12","4740","4745","10.1021/ja500463p","","","0.71073","MoKα","","0.0516","0.0407","","","0.0942","0.1002","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121531","14.7826","0.0019","18.527","0.002","23.715","0.003","71.071","0.001","77.528","0.002","68.304","0.002","5674.3","1.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C67.5 H109 N40.5 O54.25 Pd6 -","- C67.5 H84 N40.5 O54.25 Pd6 -","- C135 H168 N81 O108.5 Pd12 -","2","1","","Sawada, Tomohisa; Hisada, Hayato; Fujita, Makoto","Mutual induced fit in a synthetic host-guest system.","Journal of the American Chemical Society","2014","136","12","4449","4451","10.1021/ja500376x","","","0.71073","MoKα","","0.1162","0.0831","","","0.2044","0.2238","","","","","","1.083","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121532","24.24","0.004","29.125","0.005","24.225","0.004","90","","91.047","0.002","90","","17100","5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H139.75 N45.5 O72 Pd6 -","- C112 H120 N45.5 O72 Pd6 -","- C448 H480 N182 O288 Pd24 -","4","1","","Sawada, Tomohisa; Hisada, Hayato; Fujita, Makoto","Mutual induced fit in a synthetic host-guest system.","Journal of the American Chemical Society","2014","136","12","4449","4451","10.1021/ja500376x","","","0.71073","MoKα","","0.203","0.1058","","","0.2857","0.3327","","","","","","1.274","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121533","20.2126","0.0014","20.2126","0.0014","45.41","0.007","90","","90","","120","","16067","3","90","2","90","2","","","","","","","","5","P 32","P 32","145","","","","- C148 H202.17 N51 O65.5 Pd8 -","- C148 H184 N51 O65.5 Pd8 -","- C444 H552 N153 O196.5 Pd24 -","3","1","","Sawada, Tomohisa; Hisada, Hayato; Fujita, Makoto","Mutual induced fit in a synthetic host-guest system.","Journal of the American Chemical Society","2014","136","12","4449","4451","10.1021/ja500376x","","","0.71073","MoKα","","0.2232","0.1362","","","0.3402","0.3944","","","","","","1.253","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121534","8.4589","0.001","10.5591","0.0012","14.9611","0.0018","93.445","0.001","90.969","0.001","101.984","0.001","1304.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H37 Cl P2 Pd -","- C23 H37 Cl P2 Pd -","- C46 H74 Cl2 P4 Pd2 -","2","1","","Xue, Ya-Xin; Zhu, Yuan-Yuan; Gao, Long-Mei; He, Xiao-Yue; Liu, Na; Zhang, Wu-Yi; Yin, Jun; Ding, Yunsheng; Zhou, Hongping; Wu, Zong-Quan","Air-Stable (Phenylbuta-1,3-diynyl)palladium(II) Complexes: Highly Active Initiators for Living Polymerization of Isocyanides.","Journal of the American Chemical Society","2014","136","12","4706","4713","10.1021/ja5004747","","","0.71073","MoKα","","0.0256","0.0229","","","0.0658","0.0698","","","","","","1.093","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121535","8.528","0.0013","10.6211","0.0016","14.706","0.002","96.188","0.002","92.12","0.002","99.815","0.002","1302.8","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","complex-1b","","","- C23 H37 Cl O P2 Pd -","- C23 H37 Cl O P2 Pd -","- C46 H74 Cl2 O2 P4 Pd2 -","2","1","","Xue, Ya-Xin; Zhu, Yuan-Yuan; Gao, Long-Mei; He, Xiao-Yue; Liu, Na; Zhang, Wu-Yi; Yin, Jun; Ding, Yunsheng; Zhou, Hongping; Wu, Zong-Quan","Air-Stable (Phenylbuta-1,3-diynyl)palladium(II) Complexes: Highly Active Initiators for Living Polymerization of Isocyanides.","Journal of the American Chemical Society","2014","136","12","4706","4713","10.1021/ja5004747","","","0.71073","MoKα","","0.0275","0.024","","","0.0681","0.0721","","","","","","1.067","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121536","8.583","0.007","14.626","0.011","20.535","0.017","90","","101.878","0.01","90","","2523","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","complex-1c","","","- C22 H35 Cl P2 Pd -","- C22 H35 Cl P2 Pd -","- C88 H140 Cl4 P8 Pd4 -","4","1","","Xue, Ya-Xin; Zhu, Yuan-Yuan; Gao, Long-Mei; He, Xiao-Yue; Liu, Na; Zhang, Wu-Yi; Yin, Jun; Ding, Yunsheng; Zhou, Hongping; Wu, Zong-Quan","Air-Stable (Phenylbuta-1,3-diynyl)palladium(II) Complexes: Highly Active Initiators for Living Polymerization of Isocyanides.","Journal of the American Chemical Society","2014","136","12","4706","4713","10.1021/ja5004747","","","0.71073","MoKα","","0.0708","0.0356","","","0.0823","0.0981","","","","","","0.955","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121537","9.7979","0.0006","9.4064","0.0006","16.2306","0.0009","90","","93.334","0.005","90","","1493.33","0.16","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","complex-1e","","","- C32 H40 P2 Pd -","- C32 H40 P2 Pd -","- C64 H80 P4 Pd2 -","2","0.5","","Xue, Ya-Xin; Zhu, Yuan-Yuan; Gao, Long-Mei; He, Xiao-Yue; Liu, Na; Zhang, Wu-Yi; Yin, Jun; Ding, Yunsheng; Zhou, Hongping; Wu, Zong-Quan","Air-Stable (Phenylbuta-1,3-diynyl)palladium(II) Complexes: Highly Active Initiators for Living Polymerization of Isocyanides.","Journal of the American Chemical Society","2014","136","12","4706","4713","10.1021/ja5004747","","","0.71073","MoKα","","0.048","0.0373","","","0.0861","0.093","","","","","","1.083","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121538","9.7952","0.0005","19.2316","0.0011","12.7047","0.0007","90","","111.795","0.001","90","","2222.2","0.2","186","2","186","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H70 Dy N3 O2 -","- C44 H63 Dy N3 O2 -","- C88 H126 Dy2 N6 O4 -","2","1","","Zhang, Peng; Zhang, Li; Wang, Chao; Xue, Shufang; Lin, Shuang-Yan; Tang, Jinkui","Equatorially coordinated lanthanide single ion magnets.","Journal of the American Chemical Society","2014","136","12","4484","4487","10.1021/ja500793x","","","0.71073","MoKα","","0.0464","0.0396","","","0.0853","0.0892","","","","","","1.027","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121539","9.7539","0.0006","19.1763","0.0012","12.7327","0.0008","90","","112.144","0.001","90","","2205.9","0.2","186","2","186","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H70 Er N3 O2 -","- C44 H63 Er N3 O2 -","- C88 H126 Er2 N6 O4 -","2","1","","Zhang, Peng; Zhang, Li; Wang, Chao; Xue, Shufang; Lin, Shuang-Yan; Tang, Jinkui","Equatorially coordinated lanthanide single ion magnets.","Journal of the American Chemical Society","2014","136","12","4484","4487","10.1021/ja500793x","","","0.71073","MoKα","","0.0376","0.0336","","","0.0829","0.0879","","","","","","1.048","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121540","9.6818","0.0008","12.2527","0.0011","23.0758","0.0019","90","","90","","90","","2737.4","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 Br P -","- C34 H38 Br P -","- C136 H152 Br4 P4 -","4","1","","Zhu, Ye; Buchwald, Stephen L.","Ligand-Controlled Asymmetric Arylation of Aliphatic α-Amino Anion Equivalents.","Journal of the American Chemical Society","2014","136","12","4500","4503","10.1021/ja501560x","","","0.71073","MoKα","","0.0291","0.0264","","","0.0693","0.0702","","","","","","1.057","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121541","11.135","0.003","12.104","0.003","17.818","0.005","79.078","0.006","81.619","0.006","74.331","0.005","2259","1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H47 P3 Ru -","- C48 H47 P3 Ru -","- C96 H94 P6 Ru2 -","2","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Reactivity of Ruthenium Phosphido Species Generated through the Deprotonation of a Tripodal Phosphine Ligand and Implications for Hydrophosphination.","Journal of the American Chemical Society","2014","136","12","4746","4760","10.1021/ja5006724","","","0.71073","MoKα","","0.0429","0.0347","","","0.0846","0.0872","","","","","","1.047","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121542","14.5577","0.0004","22.5689","0.0007","27.0099","0.0008","90","","90","","90","","8874.1","0.5","147","2","147","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C49 H51 Cl4 P3 Ru -","- C49 H51 Cl4 P3 Ru -","- C392 H408 Cl32 P24 Ru8 -","8","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Reactivity of Ruthenium Phosphido Species Generated through the Deprotonation of a Tripodal Phosphine Ligand and Implications for Hydrophosphination.","Journal of the American Chemical Society","2014","136","12","4746","4760","10.1021/ja5006724","","","1.54178","CuKα","","0.0289","0.026","","","0.0625","0.0641","","","","","","1.051","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121543","11.4403","0.0003","12.2847","0.0003","17.925","0.0005","79.857","0.002","81.905","0.002","73.982","0.002","2372.19","0.11","147","2","147","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H59 P3 Ru -","- C57 H59 P3 Ru -","- C114 H118 P6 Ru2 -","2","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Reactivity of Ruthenium Phosphido Species Generated through the Deprotonation of a Tripodal Phosphine Ligand and Implications for Hydrophosphination.","Journal of the American Chemical Society","2014","136","12","4746","4760","10.1021/ja5006724","","","1.54178","CuKα","","0.0522","0.0439","","","0.1064","0.1111","","","","","","1.061","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121544","12.8172","0.0005","20.1431","0.0008","14.8527","0.0006","90","","92.099","0.001","90","","3832.1","0.3","147","2","147","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H47 P3 Ru -","- C48 H47 P3 Ru -","- C192 H188 P12 Ru4 -","4","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Reactivity of Ruthenium Phosphido Species Generated through the Deprotonation of a Tripodal Phosphine Ligand and Implications for Hydrophosphination.","Journal of the American Chemical Society","2014","136","12","4746","4760","10.1021/ja5006724","","","0.71073","MoKα","","0.048","0.0336","","","0.0741","0.08","","","","","","1.022","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121545","12.443","0.0009","14.9361","0.0011","22.3923","0.0015","90","","99.135","0.003","90","","4108.8","0.5","147","2","147","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H49 P3 Ru -","- C52 H49 P3 Ru -","- C208 H196 P12 Ru4 -","4","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Reactivity of Ruthenium Phosphido Species Generated through the Deprotonation of a Tripodal Phosphine Ligand and Implications for Hydrophosphination.","Journal of the American Chemical Society","2014","136","12","4746","4760","10.1021/ja5006724","","","1.54178","CuKα","","0.0353","0.0295","","","0.0724","0.0754","","","","","","1.03","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121546","14.8761","0.0019","17.428","0.002","8.2778","0.001","90","","99.402","0.002","90","","2117.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 N2 O2 P -","- C21 H33 N2 O2 P -","- C84 H132 N8 O8 P4 -","4","1","","McCarthy, Sean M.; Lin, Yi-Chun; Devarajan, Deepa; Chang, Ji Woong; Yennawar, Hemant P.; Rioux, Robert M.; Ess, Daniel H.; Radosevich, Alexander T.","Intermolecular N-H Oxidative Addition of Ammonia, Alkylamines, and Arylamines to a Planar σ(3)-Phosphorus Compound via an Entropy-Controlled Electrophilic Mechanism.","Journal of the American Chemical Society","2014","136","12","4640","4650","10.1021/ja412469e","","","0.71073","MoKα","","0.0521","0.0438","","","0.1216","0.1271","","","","","","1.07","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121547","11.183","0.005","16.059","0.008","17.358","0.008","70.642","0.008","88.41","0.009","86.803","0.009","2936","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H30 F6 Fe N6 O6 S2 -","- C23 H30 F6 Fe N6 O6 S2 -","- C92 H120 F24 Fe4 N24 O24 S8 -","4","2","","Company, Anna; Sabenya, Gerard; González-Béjar, María; Gómez, Laura; Clémancey, Martin; Blondin, Geneviève; Jasniewski, Andrew J.; Puri, Mayank; Browne, Wesley R.; Latour, Jean-Marc; Que, Jr, Lawrence; Costas, Miquel; Pérez-Prieto, Julia; Lloret-Fillol, Julio","Triggering the Generation of an Iron(IV)-Oxo Compound and Its Reactivity toward Sulfides by Ru(II) Photocatalysis.","Journal of the American Chemical Society","2014","136","12","4624","4633","10.1021/ja412059c","","","0.71073","MoKα","","0.077","0.0478","","","0.1227","0.1429","","","","","","0.951","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121548","9.5999","0.0008","13.3486","0.001","17.8637","0.0015","74.605","0.004","82.289","0.005","89.169","0.004","2186.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H46 B N8 O2 S Zn -","- C49 H46 B N8 O2 S Zn -","- C98 H92 B2 N16 O4 S2 Zn2 -","2","1","","Martin, David P.; Blachly, Patrick G.; Marts, Amy R.; Woodruff, Tessa M.; de Oliveira, César A F; McCammon, J. Andrew; Tierney, David L.; Cohen, Seth M.","'Unconventional' coordination chemistry by metal chelating fragments in a metalloprotein active site.","Journal of the American Chemical Society","2014","136","14","5400","5406","10.1021/ja500616m","","","0.71073","MoKα","","0.0554","0.0401","","","0.1069","0.1246","","","","","","1.121","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121549","13.5142","0.0007","15.1264","0.0007","19.1617","0.0011","79.351","0.004","79.778","0.004","81.15","0.004","3758.7","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H102 Mn2 N2 Si2 -","- C86 H102 Mn2 N2 Si2 -","- C172 H204 Mn4 N4 Si4 -","2","1","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.1079","0.0623","","","0.1261","0.1518","","","","","","1.057","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121550","12.3698","0.0004","13.9284","0.0005","21.8462","0.0008","75.459","0.002","83.817","0.002","70.909","0.002","3441.6","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H95 Cr Mn N2 Si2 -","- C83 H95 Cr Mn N2 Si2 -","- C166 H190 Cr2 Mn2 N4 Si4 -","2","1","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.1","0.0529","","","0.1017","0.1208","","","","","","1.015","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121551","14.0354","0.001","31.639","0.002","14.0529","0.001","90","","105.605","0.002","90","","6010.4","0.7","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H81 Mg Mn N3 Si -","- C67 H81 Mg Mn N3 Si -","- C268 H324 Mg4 Mn4 N12 Si4 -","4","1","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.1188","0.0616","","","0.1452","0.1727","","","","","","1.019","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121552","10.2192","0.0004","14.5682","0.0005","23.4367","0.0008","88.295","0.002","89.9","0.002","76.256","0.002","3387.7","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H101 Mg Mn N3 O2 Si -","- C76 H101 Mg Mn N3 O2 Si -","- C152 H202 Mg2 Mn2 N6 O4 Si2 -","2","1","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.0811","0.0485","","","0.1045","0.1187","","","","","","1.024","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121553","11.8629","0.0005","12.6271","0.0006","13.637","0.0007","88.34","0.003","87.055","0.003","67.856","0.003","1889.47","0.16","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H104 Mn2 N2 O Si2 -","- C88 H104 Mn2 N2 O Si2 -","- C88 H104 Mn2 N2 O Si2 -","1","0.5","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.0914","0.0499","","","0.0942","0.1096","","","","","","0.999","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121554","11.7629","0.0005","13.3147","0.0005","15.7449","0.0006","80.282","0.002","77.819","0.002","80.593","0.002","2354.85","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H132 Br2 Mn2 N2 O2 Si2 -","- C108 H132 Br2 Mn2 N2 O2 Si2 -","- C108 H132 Br2 Mn2 N2 O2 Si2 -","1","0.5","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.0596","0.0378","","","0.0758","0.0809","","","","","","0.914","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121555","14.7416","0.0011","16.0335","0.0011","16.1827","0.0014","89.828","0.006","116.83","0.008","94.088","0.006","3402.7","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H95 Mg Mn N5 Si -","- C74 H95 Mg Mn N5 Si -","- C148 H190 Mg2 Mn2 N10 Si2 -","2","1","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.0962","0.0622","","","0.1442","0.1695","","","","","","1.013","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121556","15.7018","0.0006","10.377","0.0003","26.7505","0.0009","90","","106.562","0.003","90","","4177.8","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H104 Mn2 N2 Si2 -","- C100 H104 Mn2 N2 Si2 -","- C200 H208 Mn4 N4 Si4 -","2","0.5","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.0545","0.043","","","0.1101","0.1183","","","","","","1.021","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121557","35.8365","0.0017","35.8365","0.0017","35.8365","0.0017","90","","90","","90","","46023","4","296","2","296","2","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","","","- Co16 H92 Na28 O204 P8 W36 -","- Co16 Na18 O204 P8 W36 -","- Co128 Na144 O1632 P64 W288 -","8","0.0833333","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.0951","0.0789","","","0.244","0.2541","","","","","","1.164","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121558","23.95","0.003","23.95","0.003","23.95","0.003","90","","90","","90","","13738","3","293","2","293","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- Co16 H116 Na32 O216 P4 Si4 W36 -","- Co16 Na18 O216 P4 Si4 W36 -","- Co32 Na36 O432 P8 Si8 W72 -","2","0.0833333","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.0679","0.0516","","","0.1183","0.1267","","","","","","0.904","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121559","35.6715","0.0017","35.6715","0.0017","35.6715","0.0017","90","","90","","90","","45390","4","296","2","296","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- Co16 H146 K2 Na30 O231 P4 Si4 W36 -","- Co16 Na18 O230.96 P4 Si4 W36 -","- Co128 Na144 O1847.68 P32 Si32 W288 -","8","0.0833333","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.0737","0.0419","","","0.1198","0.1471","","","","","","0.985","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121560","28.666","0.006","31.619","0.006","26.071","0.005","90","","90","","90","","23631","8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- Co16 H128 Na28 O222 P8 W36 -","- Co16 Na22 O222 P8 W36 -","- Co64 Na88 O888 P32 W144 -","4","0.5","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.135","0.0783","","","0.1568","0.1817","","","","","","1.025","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121561","23.924","0.003","23.924","0.003","23.924","0.003","90","","90","","90","","13693","3","293","2","293","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- Co16 Ge4 H240 Na32 O278 P4 W36 -","- Co16 Ge4 Na32.04 O278 P4 W36 -","- Co32 Ge8 Na64.08 O556 P8 W72 -","2","0.0833333","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.1558","0.1507","","","0.3676","0.3699","","","","","","1.111","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121562","35.6328","0.0015","35.6328","0.0015","35.6328","0.0015","90","","90","","90","","45243","3","296","2","296","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- Co16 Ge4 H114 K2 Na30 O215 P4 W36 -","- Co16 Ge4 Na18 O215 P4 W36 -","- Co128 Ge32 Na144 O1720 P32 W288 -","8","0.0833333","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.0884","0.0541","","","0.1706","0.2019","","","","","","1.097","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121563","35.514","0.004","35.514","0.004","35.514","0.004","90","","90","","90","","44792","9","296","2","296","2","","","","","","","","7","F d -3 :2","-F 2uv 2vw 3","203","","","","- As4 Co16 H120 Na28 O218 P4 W36 -","- As4 Co16 Na12 O217.96 P4 W36 -","- As32 Co128 Na96 O1743.68 P32 W288 -","8","0.0833333","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.0768","0.0545","","","0.1731","0.1898","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121564","6.7606","0.0004","10.0156","0.0005","54.297","0.003","90","","90","","90","","3676.5","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","XH-194-2","maimone23","","- C20 H28 O5 -","- C20 H28 O5 -","- C160 H224 O40 -","8","2","","Hu, Xirui; Maimone, Thomas J.","Four-Step Synthesis of the Antimalarial Cardamom Peroxide via an Oxygen Stitching Strategy.","Journal of the American Chemical Society","2014","136","14","5287","5290","10.1021/ja502208z","","","1.54178","CuKα","","0.0576","0.0571","","","0.1278","0.1281","","","","","","1.179","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121565","6.4231","0.0005","13.8311","0.0009","20.3077","0.0014","90","","90","","90","","1804.1","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","XH_54_SPS","maimone15","","- C20 H28 O6 -","- C20 H28 O6 -","- C80 H112 O24 -","4","1","","Hu, Xirui; Maimone, Thomas J.","Four-Step Synthesis of the Antimalarial Cardamom Peroxide via an Oxygen Stitching Strategy.","Journal of the American Chemical Society","2014","136","14","5287","5290","10.1021/ja502208z","","","1.54178","CuKα","","0.0725","0.0714","","","0.1882","0.1901","","","","","","1.104","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4121566","6.4066","0.0003","12.6083","0.0006","22.0227","0.0011","90","","90","","90","","1778.91","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","XH_NP_1","maimone18","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Hu, Xirui; Maimone, Thomas J.","Four-Step Synthesis of the Antimalarial Cardamom Peroxide via an Oxygen Stitching Strategy.","Journal of the American Chemical Society","2014","136","14","5287","5290","10.1021/ja502208z","","","1.54178","CuKα","","0.0392","0.0388","","","0.1028","0.1032","","","","","","1.045","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121567","6.81","0.0003","9.9666","0.0004","27.5837","0.0012","90","","90","","90","","1872.18","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","XH-211-3","maimone24","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Hu, Xirui; Maimone, Thomas J.","Four-Step Synthesis of the Antimalarial Cardamom Peroxide via an Oxygen Stitching Strategy.","Journal of the American Chemical Society","2014","136","14","5287","5290","10.1021/ja502208z","","","1.54178","CuKα","","0.0377","0.0364","","","0.0951","0.0963","","","","","","1.037","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121568","7.177","0.003","14.812","0.005","16.726","0.006","90","","99.963","0.006","90","","1751.3","1.1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Cl Co N -","- C21 H23 Cl Co N -","- C84 H92 Cl4 Co4 N4 -","4","1","","Ikemoto, Hideya; Yoshino, Tatsuhiko; Sakata, Ken; Matsunaga, Shigeki; Kanai, Motomu","Pyrroloindolone Synthesis via a Cp*Co(III)-Catalyzed Redox-Neutral Directed C-H Alkenylation/Annulation Sequence.","Journal of the American Chemical Society","2014","136","14","5424","5431","10.1021/ja5008432","","","0.71075","MoKα","","0.0391","0.0365","","","0.0964","0.0989","","","","","","1.064","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121569","6.1659","0.0002","9.8138","0.0003","18.5821","0.0005","90","","90","","90","","1124.42","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","YXY3-45-1","toste92","","- C12 H12 F I O -","- C12 H12 F I O -","- C48 H48 F4 I4 O4 -","4","1","","Yang, Xiaoyu; Phipps, Robert J.; Toste, F. Dean","Asymmetric Fluorination of α-Branched Cyclohexanones Enabled by a Combination of Chiral Anion Phase-Transfer Catalysis and Enamine Catalysis using Protected Amino Acids.","Journal of the American Chemical Society","2014","136","14","5225","5228","10.1021/ja500882x","","","0.71073","MoKα","","0.0153","0.0145","","","0.0276","0.0278","","","","","","1.102","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121570","5.8949","0.0001","15.2807","0.0003","17.2167","0.0012","90","","90","","90","","1550.85","0.12","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 F O -","- C21 H17 F O -","- C84 H68 F4 O4 -","4","1","","Liang, Yufan; Fu, Gregory C.","Catalytic Asymmetric Synthesis of Tertiary Alkyl Fluorides: Negishi Cross-Couplings of Racemic α,α-Dihaloketones.","Journal of the American Chemical Society","2014","136","14","5520","5524","10.1021/ja501815p","","","1.54187","CuKα","","0.0258","0.0252","","","0.0621","0.0626","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121571","16.777","0.006","15.082","0.005","15.6","0.006","90","","110.639","0.006","90","","3694","2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H23 F O -","- C24 H23 F O -","- C192 H184 F8 O8 -","8","2","","Liang, Yufan; Fu, Gregory C.","Catalytic Asymmetric Synthesis of Tertiary Alkyl Fluorides: Negishi Cross-Couplings of Racemic α,α-Dihaloketones.","Journal of the American Chemical Society","2014","136","14","5520","5524","10.1021/ja501815p","","","0.71073","MoKα","","0.112","0.0797","","","0.1624","0.1746","","","","","","1.057","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121572","23.9583","0.0004","5.7432","0.0001","11.8825","0.0008","90","","98.352","0.007","90","","1617.66","0.12","93","","93","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H17 F O2 -","- C21 H17 F O2 -","- C84 H68 F4 O8 -","4","1","","Liang, Yufan; Fu, Gregory C.","Catalytic Asymmetric Synthesis of Tertiary Alkyl Fluorides: Negishi Cross-Couplings of Racemic α,α-Dihaloketones.","Journal of the American Chemical Society","2014","136","14","5520","5524","10.1021/ja501815p","","","1.54187","CuKα","","0.044","0.0427","","","0.1153","0.1173","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121573","11.4485","0.0006","5.9142","0.0003","17.0352","0.0008","90","","91.076","0.003","90","","1153.23","0.1","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27.58 H23.16 Cl2.16 F O -","- C27.581 H23.162 Cl2.162 F O -","- C55.162 H46.324 Cl4.324 F2 O2 -","2","1","","Liang, Yufan; Fu, Gregory C.","Catalytic Asymmetric Synthesis of Tertiary Alkyl Fluorides: Negishi Cross-Couplings of Racemic α,α-Dihaloketones.","Journal of the American Chemical Society","2014","136","14","5520","5524","10.1021/ja501815p","","","0.71073","MoKα","","0.0773","0.0499","","","0.1202","0.129","","","","","","0.957","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121574","5.8612","0.0001","15.7648","0.0003","18.3237","0.0013","90","","90","","90","","1693.12","0.13","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F O2 -","- C22 H19 F O2 -","- C88 H76 F4 O8 -","4","1","","Liang, Yufan; Fu, Gregory C.","Catalytic Asymmetric Synthesis of Tertiary Alkyl Fluorides: Negishi Cross-Couplings of Racemic α,α-Dihaloketones.","Journal of the American Chemical Society","2014","136","14","5520","5524","10.1021/ja501815p","","","1.54187","CuKα","","0.0238","0.0237","","","0.0599","0.06","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121575","10.1024","0.0004","20.0404","0.001","13.0272","0.0005","90","","90","","90","","2637.4","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H6 Br N O2 S -","- C8 H6 Br N O2 S -","- C96 H72 Br12 N12 O24 S12 -","12","1.5","","Foo, Klement; Sella, Eran; Thomé, Isabelle; Eastgate, Martin D.; Baran, Phil S.","A mild, ferrocene-catalyzed C-h imidation of (hetero)arenes.","Journal of the American Chemical Society","2014","136","14","5279","5282","10.1021/ja501879c","","","0.71073","MoKα","","0.0889","0.074","","","0.2031","0.2136","","","","","","1.076","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121576","20.687","0.002","6.4683","0.0008","15.9083","0.0019","90","","116.05","0.003","90","","1912.4","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C80 H80 N16 O24 -","8","1","","Foo, Klement; Sella, Eran; Thomé, Isabelle; Eastgate, Martin D.; Baran, Phil S.","A mild, ferrocene-catalyzed C-h imidation of (hetero)arenes.","Journal of the American Chemical Society","2014","136","14","5279","5282","10.1021/ja501879c","","x-ray","0.71073","MoKα","K-L~3~","0.0547","0.0372","","","0.0925","0.1026","","","","","","1.027","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121577","18.878","0.004","18.878","0.004","37.043","0.008","90","","90","","90","","13201","5","100","2","100","","","","","","","","","4","P 42 21 2","P 4n 2n","94","","","","- C115 H76 Al8 O41 -","- C115 H76 Al8 O41 -","- C230 H152 Al16 O82 -","2","0.25","","Gándara, Felipe; Furukawa, Hiroyasu; Lee, Seungkyu; Yaghi, Omar M.","High methane storage capacity in aluminum metal-organic frameworks.","Journal of the American Chemical Society","2014","136","14","5271","5274","10.1021/ja501606h","","x-ray","0.95403","","","0.1055","0.0887","","","0.2548","0.2736","","","","","","1.168","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121578","19.28","0.001","19.28","0.001","36.03","0.001","90","","90","","90","","13393","1.1","293","2","293","2","","","","","","","","4","P 42 21 2","P 4n 2n","94","","","","- C216 H60 Al8 O56 -","- C216 H60 Al8 O56 -","- C432 H120 Al16 O112 -","2","0.25","","Gándara, Felipe; Furukawa, Hiroyasu; Lee, Seungkyu; Yaghi, Omar M.","High methane storage capacity in aluminum metal-organic frameworks.","Journal of the American Chemical Society","2014","136","14","5271","5274","10.1021/ja501606h","","","0.8903","synchrotron","","0.1222","0.1112","","","0.2792","0.2892","","","","","","1.057","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121579","11.6964","0.0003","15.8328","0.0004","11.522","0.0003","90","","90","","90","","2133.72","0.09","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H20 Cl2 N4 Zn -","- C23 H20 Cl2 N4 Zn -","- C92 H80 Cl8 N16 Zn4 -","4","0.5","","Bhowmik, Sandip; Ghosh, Biswa Nath; Marjomäki, Varpu; Rissanen, Kari","Nanomolar Pyrophosphate Detection in Water and in a Self-Assembled Hydrogel of a Simple Terpyridine-Zn(2+) Complex.","Journal of the American Chemical Society","2014","136","15","5543","","10.1021/ja4128949","","","0.71073","MoKα","","0.0355","0.0281","","","0.069","0.0727","","","","","","1.062","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121580","35.078","0.005","8.2392","0.0011","22.64","0.003","90","","115.873","0.009","90","","5887.4","1.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H32 Br Mn N2 O3.5 -","- C31 H28 Br Mn N2 O3 -","- C248 H224 Br8 Mn8 N16 O24 -","8","1","","Sampson, Matthew D.; Nguyen, An D.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Manganese catalysts with bulky bipyridine ligands for the electrocatalytic reduction of carbon dioxide: eliminating dimerization and altering catalysis.","Journal of the American Chemical Society","2014","136","14","5460","5471","10.1021/ja501252f","","x-ray","0.71073","MoKα","","0.0591","0.0363","","","0.0855","0.0945","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121581","46.116","0.002","46.116","0.002","46.116","0.002","90","","90","","90","","98074","7","298","2","298","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C372 H244 O32 P12 Zr6 -","- C372 O32 P12 Zr6 -","- C1488 O128 P48 Zr24 -","4","0.0833333","","Falkowski, Joseph M.; Sawano, Takahiro; Zhang, Teng; Tsun, Galen; Chen, Yuan; Lockard, Jenny V.; Lin, Wenbin","Privileged phosphine-based metal-organic frameworks for broad-scope asymmetric catalysis.","Journal of the American Chemical Society","2014","136","14","5213","5216","10.1021/ja500090y","","","1.54178","CuKα","","0.1383","0.1026","","","0.2456","0.2594","","","","","","1.375","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121582","16.473","0.005","6.98","0.005","18.804","0.005","90","","105.675","0.005","90","","2081.7","1.7","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C21 H16 Au F6 N6 P -","- C21 H16 Au F6 N6 P -","- C84 H64 Au4 F24 N24 P4 -","4","1","","Akerman, Kate J.; Fagenson, Alexander M.; Cyril, Vidusha; Taylor, Michael; Muller, Mark T.; Akerman, Matthew P.; Munro, Orde Q.","Gold(III) Macrocycles: Nucleotide-Specific Unconventional Catalytic Inhibitors of Human Topoisomerase I.","Journal of the American Chemical Society","2014","136","15","5670","","10.1021/ja412350f","","","0.71073","MoKα","","0.0452","0.032","","","0.0703","0.0733","","","","","","0.94","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121583","17.092","0.005","25.52","0.005","13.625","0.005","90","","119.057","0.005","90","","5195","3","120","2","120","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H20 Au F3 N6 O3 S -","- C24 H20 Au F3 N6 O3 S -","- C192 H160 Au8 F24 N48 O24 S8 -","8","2","","Akerman, Kate J.; Fagenson, Alexander M.; Cyril, Vidusha; Taylor, Michael; Muller, Mark T.; Akerman, Matthew P.; Munro, Orde Q.","Gold(III) Macrocycles: Nucleotide-Specific Unconventional Catalytic Inhibitors of Human Topoisomerase I.","Journal of the American Chemical Society","2014","136","15","5670","","10.1021/ja412350f","","","0.71073","MoKα","","0.0788","0.0544","","","0.1176","0.1246","","","","","","0.98","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121584","43.9022","0.0011","6.7597","0.0002","48.8964","0.0012","90","","90","","90","","14510.8","0.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(12,13,14,15-tetrahydro-6,9:18,21-diepimino[1,6]diazacycloctadecino[12,13-b]- quinoxalinato]gold(III) hexafluorophosphate(V) mono(acetonitrile) solvate","","- C24 H21 Au F6 N7 P -","- C24 H21 Au F6 N7 P -","- C576 H504 Au24 F144 N168 P24 -","24","6","","Akerman, Kate J.; Fagenson, Alexander M.; Cyril, Vidusha; Taylor, Michael; Muller, Mark T.; Akerman, Matthew P.; Munro, Orde Q.","Gold(III) Macrocycles: Nucleotide-Specific Unconventional Catalytic Inhibitors of Human Topoisomerase I.","Journal of the American Chemical Society","2014","136","15","5670","","10.1021/ja412350f","","","1.54178","CuKα","","0.068","0.052","","","0.1067","0.1131","","","","","","1.055","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121585","7.2176","0.0002","12.8503","0.0004","22.0858","0.0007","90","","90","","90","","2048.42","0.11","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O8 S -","- C21 H23 N O8 S -","- C84 H92 N4 O32 S4 -","4","1","","Howell, Jennifer M.; Liu, Wei; Young, Andrew J.; White, M. Christina","General Allylic C-H Alkylation with Tertiary Nucleophiles.","Journal of the American Chemical Society","2014","136","15","5750","","10.1021/ja500726e","","","1.54178","CuKα","","0.0302","0.0287","","","0.0727","0.0735","","","","","","1.084","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121586","10.8507","0.0003","16.7356","0.0005","12.566","0.0004","90","","111.077","0.001","90","","2129.23","0.11","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O8 S -","- C21 H23 N O8 S -","- C84 H92 N4 O32 S4 -","4","2","","Howell, Jennifer M.; Liu, Wei; Young, Andrew J.; White, M. Christina","General Allylic C-H Alkylation with Tertiary Nucleophiles.","Journal of the American Chemical Society","2014","136","15","5750","","10.1021/ja500726e","","","1.54178","CuKα","","0.0296","0.0291","","","0.0751","0.0756","","","","","","1.065","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121587","23.112","0.004","6.9534","0.0013","22.638","0.004","90","","90","","90","","3638.1","1.1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H31 Ca2 O28 P3 -","- C24 H31 Ca2 O28 P3 -","- C96 H124 Ca8 O112 P12 -","4","1","","Bazaga-García, Montse; Colodrero, Rosario M. P.; Papadaki, Maria; Garczarek, Piotr; Zoń, Jerzy; Olivera-Pastor, Pascual; Losilla, Enrique R.; León-Reina, Laura; Aranda, Miguel A. G.; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D.; Cabeza, Aurelio","Guest Molecule-Responsive Functional Calcium Phosphonate Frameworks for Tuned Proton Conductivity.","Journal of the American Chemical Society","2014","136","15","5731","","10.1021/ja500356z","","","0.71073","MoKα","","0.1152","0.0721","","","0.1505","0.173","","","","","","1.032","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121588","23.0652","0.0007","6.97311","0.0001","22.4165","0.0007","90","","91.54","0.004","90","","3604.08","0.17","25","","25","","","","","","","","","4","P 1 a 1","P -2ya","7","","","","- C24 Ca2 O23 P3 -","- C24 Ca2 O23 P3 -","- C96 Ca8 O92 P12 -","4","2","","Bazaga-García, Montse; Colodrero, Rosario M. P.; Papadaki, Maria; Garczarek, Piotr; Zoń, Jerzy; Olivera-Pastor, Pascual; Losilla, Enrique R.; León-Reina, Laura; Aranda, Miguel A. G.; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D.; Cabeza, Aurelio","Guest Molecule-Responsive Functional Calcium Phosphonate Frameworks for Tuned Proton Conductivity.","Journal of the American Chemical Society","2014","136","15","5731","","10.1021/ja500356z","powder diffraction","x-ray","0.6202","synchrotron","","","","","","","","0.1347","","7.07","","","","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121589","11.3259","0.001","8.9928","0.0007","22.3705","0.0017","90","","103.775","0.003","90","","2212.9","0.3","228","2","228","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 N O2 -","- C25 H35 N O2 -","- C100 H140 N4 O8 -","4","1","","Martin, David; Canac, Yves; Lavallo, Vincent; Bertrand, Guy","Comparative reactivity of different types of stable cyclic and acyclic mono- and diamino carbenes with simple organic substrates.","Journal of the American Chemical Society","2014","136","13","5023","5030","10.1021/ja412981x","","","0.71073","MoKα","","0.0535","0.0477","","","0.1273","0.135","","","","","","1.024","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121590","4.6255","0.0002","9.9456","0.0002","24.8078","0.0007","98.3891","0.0009","93.4893","0.0012","98.754","0.003","1111.85","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N3 O4 S2 -","- C24 H25 N3 O4 S2 -","- C48 H50 N6 O8 S4 -","2","1","","Poverenov, Elena; Zamoshchik, Natalia; Patra, Asit; Ridelman, Yonatan; Bendikov, Michael","Unusual doping of donor-acceptor-type conjugated polymers using lewis acids.","Journal of the American Chemical Society","2014","136","13","5138","5149","10.1021/ja501024n","","","0.71073","MoKα","","0.0553","0.0422","","","0.1035","0.1103","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121591","21.191","0.004","15.335","0.003","5.0155","0.001","90","","90","","90","","1629.9","0.5","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H12 N2 O5 S2 -","- C18 H12 N2 O5 S2 -","- C72 H48 N8 O20 S8 -","4","1","","Poverenov, Elena; Zamoshchik, Natalia; Patra, Asit; Ridelman, Yonatan; Bendikov, Michael","Unusual doping of donor-acceptor-type conjugated polymers using lewis acids.","Journal of the American Chemical Society","2014","136","13","5138","5149","10.1021/ja501024n","","","0.71073","MoKα","","0.0339","0.0287","","","0.0703","0.0729","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121592","4.4551","0.0009","15.982","0.003","23.91","0.005","90","","90","","90","","1702.4","0.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H12 N2 O4 S Se2 -","- C18 H12 N2 O4 S Se2 -","- C72 H48 N8 O16 S4 Se8 -","4","0.5","","Poverenov, Elena; Zamoshchik, Natalia; Patra, Asit; Ridelman, Yonatan; Bendikov, Michael","Unusual doping of donor-acceptor-type conjugated polymers using lewis acids.","Journal of the American Chemical Society","2014","136","13","5138","5149","10.1021/ja501024n","","","0.71073","MoKα","","0.0659","0.0319","","","0.0684","0.0839","","","","","","1.005","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121593","16.2238","0.0009","14.7598","0.0007","13.5765","0.0007","90","","104.881","0.004","90","","3142","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N5 O10 U2 -","- C29 H31 N5 O10 U2 -","- C116 H124 N20 O40 U8 -","4","1","","McGrail, Brendan T.; Pianowski, Laura S.; Burns, Peter C.","Photochemical water oxidation and origin of nonaqueous uranyl peroxide complexes.","Journal of the American Chemical Society","2014","136","13","4797","4800","10.1021/ja502425t","","","0.71073","MoKα","","0.0781","0.0471","","","0.1018","0.1161","","","","","","1.017","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121594","16.2231","0.0013","15.0073","0.0013","13.9043","0.0012","90","","104.265","0.002","90","","3280.8","0.5","265","2","265","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N7 O12 U2 -","- C25 H25 N7 O12 U2 -","- C100 H100 N28 O48 U8 -","4","1","","McGrail, Brendan T.; Pianowski, Laura S.; Burns, Peter C.","Photochemical water oxidation and origin of nonaqueous uranyl peroxide complexes.","Journal of the American Chemical Society","2014","136","13","4797","4800","10.1021/ja502425t","","","0.71073","MoKα","","0.115","0.0589","","","0.1399","0.18","","","","","","0.913","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121595","10.7899","0.0002","13.6545","0.0003","13.9861","0.0002","80.6099","0.0011","89.009","0.0011","78.5251","0.0012","1992.09","0.06","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H33 F12 N7 P2 Ru -","- C40 H30 F12 N7 P2 Ru -","- C80 H60 F24 N14 P4 Ru2 -","2","1","","Tong, Lianpeng; Zong, Ruifa; Thummel, Randolph P.","Visible light-driven hydrogen evolution from water catalyzed by a molecular cobalt complex.","Journal of the American Chemical Society","2014","136","13","4881","4884","10.1021/ja501257d","","","1.54178","CuKα","","0.0467","0.0416","","","0.1024","0.1058","","","","","","1.052","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121596","13.3374","0.001","24.979","0.002","8.5046","0.0007","90","","99.119","0.004","90","","2797.5","0.4","228","2","228","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H27 Co N3 O5 -","- C31 H27 Co N3 O5 -","- C124 H108 Co4 N12 O20 -","4","1","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.0947","0.0647","","","0.146","0.1659","","","","","","0.944","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121597","12.4892","0.0015","13.6324","0.0015","12.1687","0.0015","90","","90","","90","","2071.8","0.4","228","2","228","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16 H12 Co N2 O4 -","- C16 H12 Co N2 O4 -","- C64 H48 Co4 N8 O16 -","4","0.5","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.0882","0.0794","","","0.1946","0.1986","","","","","","1.195","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121598","17.4848","0.0008","17.4848","0.0008","20.2126","0.0009","90","","90","","90","","6179.4","0.5","100","2","100","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C48 H36 Co3 N6 O12 -","- C48 H36 Co3 N6 O12 -","- C192 H144 Co12 N24 O48 -","4","0.5","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.1696","0.1231","","","0.302","0.3268","","","","","","1.074","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121599","12.802","0.0003","34.9232","0.0008","43.7551","0.0009","90","","90","","90","","19562.3","0.8","100","2","100","2","","","","","","","","5","F 2 2 2","F 2 2","22","","","","- C28 H20 Co N2 O4 -","- C28 H20 Co N2 O4 -","- C448 H320 Co16 N32 O64 -","16","1","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.0781","0.0706","","","0.2028","0.2108","","","","","","1.103","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121600","11.691","0.0004","21.0101","0.0006","8.5286","0.0002","90","","130.693","0.002","90","","1588.36","0.09","228","2","228","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H12 Co N2 O4 -","- C16 H12 Co N2 O4 -","- C64 H48 Co4 N8 O16 -","4","1","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.0364","0.0332","","","0.0787","0.08","","","","","","1.012","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121601","22.625","0.0007","22.625","0.0007","12.7634","0.0005","90","","90","","90","","6533.5","0.4","228","2","228","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C192 H128 Co8 N16 O32 -","8","1","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.102","0.064","","","0.1224","0.1301","","","","","","0.992","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121602","13.4836","0.0011","24.964","0.002","8.3985","0.0007","90","","98.878","0.003","90","","2793.1","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H27 N3 O5 Zn -","- C31 H27 N3 O5 Zn -","- C124 H108 N12 O20 Zn4 -","4","1","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","0.71073","MoKα","","0.0905","0.0673","","","0.1409","0.1552","","","","","","1.02","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121603","13.1543","0.0008","21.7445","0.0011","8.6774","0.0006","90","","90","","90","","2482","0.3","228","2","228","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C28 H20 Co N2 O4 -","- C28 H20 Co N2 O4 -","- C112 H80 Co4 N8 O16 -","4","","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.0503","0.042","","","0.1079","0.1123","","","","","","1.051","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121604","22.675","0.003","6.1256","0.0009","16.5599","0.0018","90","","113.194","0.003","90","","2114.2","0.5","173.1","","173.1","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H21 N2 O0.5 -","- C10 H21 N2 O0.5 -","- C80 H168 N16 O4 -","8","1","","Fujita, Ken-Ichi; Tanaka, Yui; Kobayashi, Masato; Yamaguchi, Ryohei","Homogeneous perdehydrogenation and perhydrogenation of fused bicyclic N-heterocycles catalyzed by iridium complexes bearing a functional bipyridonate ligand.","Journal of the American Chemical Society","2014","136","13","4829","4832","10.1021/ja5001888","","","0.71075","MoKα","","","0.0563","","","","0.066","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121605","15.671","0.003","5.0499","0.0007","13.9788","0.0019","90","","90.849","0.004","90","","1106.1","0.3","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H22 N2 O -","- C10 H22 N2 O -","- C40 H88 N8 O4 -","4","0.5","","Fujita, Ken-Ichi; Tanaka, Yui; Kobayashi, Masato; Yamaguchi, Ryohei","Homogeneous perdehydrogenation and perhydrogenation of fused bicyclic N-heterocycles catalyzed by iridium complexes bearing a functional bipyridonate ligand.","Journal of the American Chemical Society","2014","136","13","4829","4832","10.1021/ja5001888","","","0.71075","MoKα","","","0.0709","","","","0.118","","","","","","1.027","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121606","9.0891","0.0006","9.5888","0.0004","15.541","0.0007","89.728","0.0013","77.932","0.002","66.2153","0.0018","1207.22","0.11","173.1","","173.1","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Ir N3 O4 -","- C26 H32 Ir N3 O4 -","- C52 H64 Ir2 N6 O8 -","2","1","","Fujita, Ken-Ichi; Tanaka, Yui; Kobayashi, Masato; Yamaguchi, Ryohei","Homogeneous perdehydrogenation and perhydrogenation of fused bicyclic N-heterocycles catalyzed by iridium complexes bearing a functional bipyridonate ligand.","Journal of the American Chemical Society","2014","136","13","4829","4832","10.1021/ja5001888","","","0.71075","MoKα","","","0.0253","","","","0.0324","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121607","14.982","0.005","19.899","0.007","28.215","0.01","81.352","0.007","78.546","0.006","69.93","0.007","7713","5","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H162 Au30 S19 -","- C72 H162 Au30 S19 -","- C144 H324 Au60 S38 -","2","1","","Crasto, David; Malola, Sami; Brosofsky, Grace; Dass, Amala; Häkkinen, Hannu","Single Crystal XRD Structure and Theoretical Analysis of the Chiral Au30S(S-t-Bu)18 Cluster.","Journal of the American Chemical Society","2014","136","13","5000","5005","10.1021/ja412141j","","x-ray","0.71073","MoKα","K-L~3~","0.1258","0.059","","","0.1564","0.197","","","","","","1.039","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121608","8.532","0.0009","15.9667","0.0016","17.1115","0.0017","66.743","0.0016","86.597","0.0018","82.032","0.0017","2120.9","0.4","100","1","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C62 H133 Cl6 Mg4 O12 P2 Pt2 Si2 -","- C62 H133.162 Cl6 Mg4 O12 P2 Pt2 Si2 -","- C62 H133.162 Cl6 Mg4 O12 P2 Pt2 Si2 -","1","0.5","","Parker, Sarah E.; Börgel, Jonas; Ritter, Tobias","1,2-selective hydrosilylation of conjugated dienes.","Journal of the American Chemical Society","2014","136","13","4857","4860","10.1021/ja5008596","","","0.71073","MoKα","","0.0379","0.0291","","","0.0625","0.0657","","","","","","1.033","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121609","31.918","0.004","31.918","0.004","12.5758","0.0018","90","","90","","90","","12812","3","100","1","100","1","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C21 H47 Mg0.5 N O3 P Pt Si -","- C21 H47 Mg0.5 N O3 P Pt Si -","- C336 H752 Mg8 N16 O48 P16 Pt16 Si16 -","16","1","","Parker, Sarah E.; Börgel, Jonas; Ritter, Tobias","1,2-selective hydrosilylation of conjugated dienes.","Journal of the American Chemical Society","2014","136","13","4857","4860","10.1021/ja5008596","","","0.71073","MoKα","","0.1165","0.1103","","","0.236","0.2381","","","","","","1.159","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121610","14.3699","0.0002","18.8611","0.0004","20.751","0.0004","91.3836","0.0017","93.8054","0.0015","100.752","0.0016","5509.44","0.18","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C134 H146 Cl6 O6 -","- C134 H146 Cl6 O6 -","- C268 H292 Cl12 O12 -","2","1","","Zhang, Qiang; Peng, Hanqing; Zhang, Guishan; Lu, Qiongqiong; Chang, Jian; Dong, Yeye; Shi, Xianying; Wei, Junfa","Facile Bottom-Up Synthesis of Coronene-based 3-Fold Symmetrical and Highly Substituted Nanographenes from Simple Aromatics.","Journal of the American Chemical Society","2014","136","13","5057","5064","10.1021/ja413018f","","","1.5418","CuKα","","0.1115","0.0964","","","0.2761","0.2967","","","","","","1.169","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121611","12.1545","0.0019","13.507","0.002","19.3873","0.0017","98.703","0.011","95.789","0.01","108.038","0.015","2954.4","0.8","105","7","105","7","","","","","","","","4","P -1","-P 1","2","","","","- C66 H66 O6 S3 -","- C66 H66 O6 S3 -","- C132 H132 O12 S6 -","2","1","","Zhang, Qiang; Peng, Hanqing; Zhang, Guishan; Lu, Qiongqiong; Chang, Jian; Dong, Yeye; Shi, Xianying; Wei, Junfa","Facile Bottom-Up Synthesis of Coronene-based 3-Fold Symmetrical and Highly Substituted Nanographenes from Simple Aromatics.","Journal of the American Chemical Society","2014","136","13","5057","5064","10.1021/ja413018f","","","0.7107","MoKα","","0.1","0.0734","","","0.1964","0.2162","","","","","","0.946","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121612","10.606","0.0003","17.7693","0.0004","18.5377","0.0005","90","","91.524","0.002","90","","3492.4","0.16","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H28.5 Cl4.5 O6 -","- C39 H28.5 Cl4.5 O6 -","- C156 H114 Cl18 O24 -","4","1","","Zhang, Qiang; Peng, Hanqing; Zhang, Guishan; Lu, Qiongqiong; Chang, Jian; Dong, Yeye; Shi, Xianying; Wei, Junfa","Facile Bottom-Up Synthesis of Coronene-based 3-Fold Symmetrical and Highly Substituted Nanographenes from Simple Aromatics.","Journal of the American Chemical Society","2014","136","13","5057","5064","10.1021/ja413018f","","","1.54178","","","0.1022","0.0859","","","","0.2642","","","","","","1.052","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121613","12.5229","0.0007","14.2127","0.0008","17.6666","0.0012","88.113","0.005","73.225","0.006","66.912","0.005","2757.9","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C120 H167.69 O12 -","- C120 H167.69 O12 -","- C120 H167.69 O12 -","1","0.5","","Zhang, Qiang; Peng, Hanqing; Zhang, Guishan; Lu, Qiongqiong; Chang, Jian; Dong, Yeye; Shi, Xianying; Wei, Junfa","Facile Bottom-Up Synthesis of Coronene-based 3-Fold Symmetrical and Highly Substituted Nanographenes from Simple Aromatics.","Journal of the American Chemical Society","2014","136","13","5057","5064","10.1021/ja413018f","","","1.54178","","","0.0963","0.0755","","","","0.2686","","","","","","1.0385","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121614","9.096","0.003","9.365","0.003","12.93","0.003","91.548","0.008","94.438","0.005","113.836","0.013","1002.4","0.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","6","","","- C48 H46 Cl2 N2 Ti2 -","- C48 H46 Cl2 N2 Ti2 -","- C48 H46 Cl2 N2 Ti2 -","1","0.5","","Saito, Teruhiko; Nishiyama, Haruka; Tanahashi, Hiromasa; Kawakita, Kento; Tsurugi, Hayato; Mashima, Kazushi","1,4-Bis(trimethylsilyl)-1,4-diaza-2,5-cyclohexadienes as Strong Salt-Free Reductants for Generating Low-Valent Early Transition Metals with Electron-Donating Ligands.","Journal of the American Chemical Society","2014","136","13","5161","5170","10.1021/ja501313s","","","0.71075","MoKα","","0.0995","0.0686","","","0.165","0.1969","","","","","","1.104","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121615","8.7094","0.0007","17.3646","0.0013","14.8216","0.0011","90","","91.893","0.003","90","","2240.3","0.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","21","","","- C50 H68 Cl2 N2 Ti2 -","- C50 H68 Cl2 N2 Ti2 -","- C100 H136 Cl4 N4 Ti4 -","2","0.5","","Saito, Teruhiko; Nishiyama, Haruka; Tanahashi, Hiromasa; Kawakita, Kento; Tsurugi, Hayato; Mashima, Kazushi","1,4-Bis(trimethylsilyl)-1,4-diaza-2,5-cyclohexadienes as Strong Salt-Free Reductants for Generating Low-Valent Early Transition Metals with Electron-Donating Ligands.","Journal of the American Chemical Society","2014","136","13","5161","5170","10.1021/ja501313s","","","0.71075","MoKα","","0.0918","0.0808","","","0.1748","0.1836","","","","","","1.249","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121616","8.105","0.003","8.507","0.003","14.481","0.006","92.565","0.011","95.849","0.01","95.536","0.01","987.1","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","11","","","- C17 H28 Cl2 N2 Si Ti -","- C17 H28 Cl2 N2 Si Ti -","- C34 H56 Cl4 N4 Si2 Ti2 -","2","1","","Saito, Teruhiko; Nishiyama, Haruka; Tanahashi, Hiromasa; Kawakita, Kento; Tsurugi, Hayato; Mashima, Kazushi","1,4-Bis(trimethylsilyl)-1,4-diaza-2,5-cyclohexadienes as Strong Salt-Free Reductants for Generating Low-Valent Early Transition Metals with Electron-Donating Ligands.","Journal of the American Chemical Society","2014","136","13","5161","5170","10.1021/ja501313s","","","0.71075","MoKα","","0.1951","0.0548","","","0.1125","0.1863","","","","","","0.873","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121617","14.731","0.002","8.3117","0.0009","21.044","0.003","90","","99.65","0.006","90","","2540.2","0.6","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","16","","","- C20 H30 Cl6 Ta2 -","- C20 H30 Cl6 Ta2 -","- C80 H120 Cl24 Ta8 -","4","0.5","","Saito, Teruhiko; Nishiyama, Haruka; Tanahashi, Hiromasa; Kawakita, Kento; Tsurugi, Hayato; Mashima, Kazushi","1,4-Bis(trimethylsilyl)-1,4-diaza-2,5-cyclohexadienes as Strong Salt-Free Reductants for Generating Low-Valent Early Transition Metals with Electron-Donating Ligands.","Journal of the American Chemical Society","2014","136","13","5161","5170","10.1021/ja501313s","","","0.71075","MoKα","","0.0845","0.0791","","","0.1756","0.1786","","","","","","1.205","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121618","10.144","0.0007","11.1058","0.0009","34.272","0.003","90","","90","","90","","3861","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Fe O -","- C17 H12 Fe O -","- C204 H144 Fe12 O12 -","12","3","","Gao, De-Wei; Yin, Qin; Gu, Qing; You, Shu-Li","Enantioselective Synthesis of Planar Chiral Ferrocenes via Pd(0)-Catalyzed Intramolecular Direct C-H Bond Arylation.","Journal of the American Chemical Society","2014","136","13","4841","4844","10.1021/ja500444v","","","0.71073","MoKα","","0.038","0.032","","","0.0725","0.075","","","","","","0.992","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121619","7.5652","0.0013","14.8496","0.0019","8.9503","0.0015","90","","100.665","0.006","90","","988.1","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","1","","Wilde, Nathan C.; Isomura, Minetaka; Mendoza, Abraham; Baran, Phil S.","Two-phase synthesis of (-)-taxuyunnanine d.","Journal of the American Chemical Society","2014","136","13","4909","4912","10.1021/ja501782r","","","0.71073","MoKα","","0.0583","0.0467","","","0.0904","0.0966","","","","","","1.024","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121620","10.4088","0.0007","16.205","0.0011","33.6784","0.0019","90","","90","","90","","5680.7","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C62 H77 N5 O9 -","- C62 H77 N5 O9 -","- C248 H308 N20 O36 -","4","1","","Bordoli, Robert J.; Goldup, Stephen M.","An efficient approach to mechanically planar chiral rotaxanes.","Journal of the American Chemical Society","2014","136","13","4817","4820","10.1021/ja412715m","","","1.54178","CuKα","","0.0737","0.0555","","","0.1294","0.1407","","","","","","0.977","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121621","13.6896","0.0003","18.8091","0.0004","21.8375","0.0004","90","","90","","90","","5622.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C62 H78 N5 O9.5 -","- C62 H77 N5 O9.5 -","- C248 H308 N20 O38 -","4","1","","Bordoli, Robert J.; Goldup, Stephen M.","An efficient approach to mechanically planar chiral rotaxanes.","Journal of the American Chemical Society","2014","136","13","4817","4820","10.1021/ja412715m","","","1.54178","CuKα","","0.0493","0.0485","","","0.1315","0.1326","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121622","17.985","0.003","17.985","0.003","14.597","0.003","90","","90","","90","","4721.5","1.5","293","2","293","2","","","","","","","","7","P 4/m n c","-P 4 2n","128","","","","- C12 H74 Cd4 Ge12 N8 O71 V14 -","- C12 Cd4 Ge12 N8 O71 V14 -","- C24 Cd8 Ge24 N16 O142 V28 -","2","0.125","","Zhou, Jian; Zhao, Jun-Wei; Wei, Qi; Zhang, Jie; Yang, Guo-Yu","Two Tetra-Cd(II)-Substituted Vanadogermanate Frameworks.","Journal of the American Chemical Society","2014","136","13","5065","5071","10.1021/ja413218w","","","0.71073","MoKα","","0.0499","0.0487","","","0.1415","0.1426","","","","","","1.102","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121623","17.682","0.004","17.682","0.004","14.556","0.003","90","","90","","90","","4551","1.7","293","2","293","2","","","","","","","","7","P 4/m n c","-P 4 2n","128","","","","- C8 H66 Cd4 Ge12 N8 O71 V14 -","- C8 H32 Cd4 Ge12 N8 O71 V14 -","- C16 H64 Cd8 Ge24 N16 O142 V28 -","2","0.125","","Zhou, Jian; Zhao, Jun-Wei; Wei, Qi; Zhang, Jie; Yang, Guo-Yu","Two Tetra-Cd(II)-Substituted Vanadogermanate Frameworks.","Journal of the American Chemical Society","2014","136","13","5065","5071","10.1021/ja413218w","","","0.71073","MoKα","","0.0529","0.0523","","","0.1342","0.1347","","","","","","1.092","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121624","33.464","0.004","5.2123","0.0006","16.8968","0.0017","90","","101.711","0.004","90","","2885.9","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H15 Cl N3 O3 S -","- C12 H15 Cl N3 O3 S -","- C96 H120 Cl8 N24 O24 S8 -","8","1","","Gui, Jinghan; Zhou, Qianghui; Pan, Chung-Mao; Yabe, Yuki; Burns, Aaron C.; Collins, Michael R.; Ornelas, Martha A.; Ishihara, Yoshihiro; Baran, Phil S.","C-H Methylation of Heteroarenes Inspired by Radical SAM Methyl Transferase.","Journal of the American Chemical Society","2014","136","13","4853","4856","10.1021/ja5007838","","x-ray","0.71073","MoKα","","0.0801","0.0518","","","0.1127","0.1285","","","","","","1.072","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121625","8.2053","0.0005","32.8177","0.0019","8.8796","0.0005","90","","92.858","0.003","90","","2388.1","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H26 O14 S4 Zn -","- C14 H26 O14 S4 Zn -","- C56 H104 O56 S16 Zn4 -","4","2","","Gui, Jinghan; Zhou, Qianghui; Pan, Chung-Mao; Yabe, Yuki; Burns, Aaron C.; Collins, Michael R.; Ornelas, Martha A.; Ishihara, Yoshihiro; Baran, Phil S.","C-H Methylation of Heteroarenes Inspired by Radical SAM Methyl Transferase.","Journal of the American Chemical Society","2014","136","13","4853","4856","10.1021/ja5007838","","","0.71073","MoKα","","0.083","0.0598","","","0.1419","0.1536","","","","","","1.025","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121626","8.6479","0.0002","9.9545","0.0004","16.8563","0.0007","90","","90","","90","","1451.08","0.09","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 P S -","- C16 H19 P S -","- C64 H76 P4 S4 -","4","1","","Huang, Yinhua; Li, Yongxin; Leung, Pak-Hing; Hayashi, Tamio","Asymmetric synthesis of p-stereogenic diarylphosphinites by palladium-catalyzed enantioselective addition of diarylphosphines to benzoquinones.","Journal of the American Chemical Society","2014","136","13","4865","4868","10.1021/ja501007t","","","0.71073","MoKα","","0.0497","0.04","","","0.0874","0.0924","","","","","","1.029","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121627","9.5656","0.0005","15.6505","0.0009","14.0777","0.0008","90","","96.8115","0.0015","90","","2092.6","0.2","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 P2 S2 -","- C24 H20 P2 S2 -","- C96 H80 P8 S8 -","4","1","","Huang, Yinhua; Li, Yongxin; Leung, Pak-Hing; Hayashi, Tamio","Asymmetric synthesis of p-stereogenic diarylphosphinites by palladium-catalyzed enantioselective addition of diarylphosphines to benzoquinones.","Journal of the American Chemical Society","2014","136","13","4865","4868","10.1021/ja501007t","","","0.71073","MoKα","","0.0784","0.0487","","","0.1078","0.1237","","","","","","1.123","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121628","12.3208","0.001","35","0.003","10.4586","0.0008","90","","90","","90","","4510","0.6","103","2","103","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C48.5 H48 Cl4 N O2 P Pd -","- C48.5 H48 Cl4 N O2 P Pd -","- C194 H192 Cl16 N4 O8 P4 Pd4 -","4","1","","Huang, Yinhua; Li, Yongxin; Leung, Pak-Hing; Hayashi, Tamio","Asymmetric synthesis of p-stereogenic diarylphosphinites by palladium-catalyzed enantioselective addition of diarylphosphines to benzoquinones.","Journal of the American Chemical Society","2014","136","13","4865","4868","10.1021/ja501007t","","","0.71073","MoKα","","0.0724","0.0597","","","0.1646","0.1782","","","","","","1.12","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121629","5.637","0.0004","18.6216","0.0015","21.6252","0.0016","90","","90","","90","","2270","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br N2 O7 -","- C25 H21 Br N2 O7 -","- C100 H84 Br4 N8 O28 -","4","1","","Ke, Zhihai; Tan, Chong Kiat; Chen, Feng; Yeung, Ying-Yeung","Catalytic Asymmetric Bromoetherification and Desymmetrization of Olefinic 1,3-Diols with C2-Symmetric Sulfides.","Journal of the American Chemical Society","2014","136","15","5627","","10.1021/ja5029155","","","0.71073","MoKα","","0.0584","0.0336","","","0.0615","0.0664","","","","","","1.028","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121630","6.074","0.003","8.408","0.003","24.076","0.011","92.153","0.01","90.801","0.009","92.691","0.012","1227.2","0.9","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H29 Br O2 -","- C31 H29 Br O2 -","- C62 H58 Br2 O4 -","2","2","","Ke, Zhihai; Tan, Chong Kiat; Chen, Feng; Yeung, Ying-Yeung","Catalytic Asymmetric Bromoetherification and Desymmetrization of Olefinic 1,3-Diols with C2-Symmetric Sulfides.","Journal of the American Chemical Society","2014","136","15","5627","","10.1021/ja5029155","","","0.71073","MoKα","","0.1272","0.0624","","","0.0976","0.1139","","","","","","1.014","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121631","7.354","0.003","8.433","0.003","9.291","0.003","71.877","0.007","79.797","0.007","69.628","0.008","511.8","0.3","97","2","97","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","1","1","","Li, Xiabing; Coldham, Iain","Synthesis of 1,1-Disubstituted Tetrahydroisoquinolines by Lithiation and Substitution, with in Situ IR Spectroscopy and Configurational Stability Studies.","Journal of the American Chemical Society","2014","136","15","5551","","10.1021/ja500485f","","","0.71073","MoKα","","0.0442","0.0422","","","0.1039","0.106","","","","","","0.925","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121632","13.8171","0.0004","22.9181","0.0006","26.2263","0.0008","90","","90","","90","","8304.9","0.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H152 Li2 N10 Si6 U2 -","- C66 H152 Li2 N10 Si6 U2 -","- C264 H608 Li8 N40 Si24 U8 -","4","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","","0.71073","MoKα","","0.0566","0.0317","","","0.052","0.0578","","","","","","1.024","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121633","14.9841","0.0002","13.84682","0.00015","20.9585","0.0002","90","","104.095","0.0012","90","","4217.59","0.09","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H152 N10 Na2 Si6 U2 -","- C66 H152 N10 Na2 Si6 U2 -","- C132 H304 N20 Na4 Si12 U4 -","2","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","x-ray","1.54184","CuKα","","0.0241","0.0205","","","0.0483","0.05","","","","","","1.024","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121634","13.81027","0.00012","23.1784","0.0002","26.5707","0.0002","90","","90","","90","","8505.28","0.12","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H150 K2 N10 Si6 U2 -","- C66 H150 K2 N10 Si6 U2 -","- C264 H600 K8 N40 Si24 U8 -","4","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","x-ray","1.54184","CuKα","","0.0308","0.026","","","0.0605","0.063","","","","","","1.043","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121635","13.7768","0.0002","23.1164","0.0004","26.8905","0.0005","90","","90","","90","","8563.8","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H152 N10 Rb2 Si6 U2 -","- C66 H152 N10 Rb2 Si6 U2 -","- C264 H608 N40 Rb8 Si24 U8 -","4","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","x-ray","1.54184","CuKα","","0.0752","0.0439","","","0.0948","0.1103","","","","","","1.013","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121636","13.8289","0.0005","22.9287","0.0009","27.1901","0.0013","90","","90","","90","","8621.4","0.6","120","","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H152 Cs2 N10 Si6 U2 -","- C66 H152 Cs2 N10 Si6 U2 -","- C264 H608 Cs8 N40 Si24 U8 -","4","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","","0.71073","MoKα","","0.133","0.1154","","","0.2195","0.2274","","","","","","1.224","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121637","27.1227","0.0004","20.4398","0.0003","24.3891","0.0004","90","","101.169","0.0014","90","","13264.8","0.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H116 K N5 O10 Si3 U -","- C53 H116 K N5 O10 Si3 U -","- C424 H928 K8 N40 O80 Si24 U8 -","8","1","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","x-ray","1.54184","CuKα","","0.0409","0.0327","","","0.0752","0.0804","","","","","","1.036","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121638","14.1766","0.0012","16.222","0.0016","16.6284","0.0015","69.672","0.003","75.31","0.002","67.503","0.002","3280.7","0.5","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","","","- C65 H70 B Cl4 F4 Fe2 N O P4 S2 -","- C58 H54 B F4 Fe2 N O P4 S2 -","- C116 H108 B2 F8 Fe4 N2 O2 P8 S4 -","2","1","","Wang, Wenguang; Rauchfuss, Thomas B.; Zhu, Lingyang; Zampella, Giuseppe","New Reactions of Terminal Hydrides on a Diiron Dithiolate.","Journal of the American Chemical Society","2014","136","15","5773","","10.1021/ja501366j","","","0.71073","MoKα","","0.0402","0.0332","","","0.0863","0.09","","","","","","1.066","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121639","14.4632","0.0004","25.4013","0.0008","17.2705","0.0005","90","","101.627","0.0016","90","","6214.7","0.3","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C61.5 H60 B Cl4 F4 Fe2 O2 P4 S2 -","- C57 H50 B F4 Fe2 O2 P4 S2 -","- C228 H200 B4 F16 Fe8 O8 P16 S8 -","4","1","","Wang, Wenguang; Rauchfuss, Thomas B.; Zhu, Lingyang; Zampella, Giuseppe","New Reactions of Terminal Hydrides on a Diiron Dithiolate.","Journal of the American Chemical Society","2014","136","15","5773","","10.1021/ja501366j","","","0.71073","MoKα","","0.0508","0.0381","","","0.0826","0.0864","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121640","23.5145","0.0016","16.122","0.0011","24.2383","0.0015","90","","117.767","0.004","90","","8130.7","1","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C69.5 H67 Cl3 F12 Fe4 N2 O6 P6 S4 -","- C69 H66 Cl2 F12 Fe4 N2 O6 P6 S4 -","- C276 H264 Cl8 F48 Fe16 N8 O24 P24 S16 -","4","1","","Wang, Wenguang; Rauchfuss, Thomas B.; Zhu, Lingyang; Zampella, Giuseppe","New Reactions of Terminal Hydrides on a Diiron Dithiolate.","Journal of the American Chemical Society","2014","136","15","5773","","10.1021/ja501366j","","","0.71073","MoKα","","0.144","0.0677","","","0.1047","0.1259","","","","","","0.99","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121641","11.764","0.008","12.025","0.008","8.446","0.006","90","","90","","90","","1194.8","1.4","298","2","298","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Br2 Cd I2 Rb2 -","- Br2 Cd I2 Rb2 -","- Br8 Cd4 I8 Rb8 -","4","0.5","","Wu, Qi; Meng, Xianggao; Zhong, Cheng; Chen, Xingguo; Qin, Jingui","Rb2CdBr2I2: A New IR Nonlinear Optical Material with a Large Laser Damage Threshold.","Journal of the American Chemical Society","2014","136","15","5683","","10.1021/ja412405u","","","0.71073","MoKα","","0.0614","0.0557","","","0.176","0.1819","","","","","","1.103","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121642","16.0584","0.001","16.0584","0.001","19.8205","0.0013","90","","90","","120","","4426.4","0.5","446","2","446","2","","","","","","","","5","R -3 :H","-R 3","148","km26","","","- C24 H36 B3 Ho N12 -","- C24 H36 B3 Ho N12 -","- C144 H216 B18 Ho6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0199","0.0177","","","0.0407","0.0414","","","","","","1.058","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121643","16.0669","0.0008","16.0669","0.0008","19.8473","0.001","90","","90","","120","","4437.1","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km19","","","- C24 H36 B3 Dy N12 -","- C24 H36 B3 Dy N12 -","- C144 H216 B18 Dy6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0141","0.0139","","","0.0328","0.0329","","","","","","1.149","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121644","16.0352","0.0009","16.0352","0.0009","19.4744","0.0011","90","","90","","120","","4336.5","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km23","","","- C24 H36 B3 Er N12 -","- C24 H36 B3 Er N12 -","- C144 H216 B18 Er6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0126","0.0123","","","0.0308","0.0309","","","","","","1.072","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121645","16.214","0.009","16.214","0.009","19.624","0.011","90","","90","","120","","4468","4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km14","","","- C24 H36 B3 Dy N12 -","- C24 H36 B3 Dy N12 -","- C144 H216 B18 Dy6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0235","0.0198","","","0.047","0.0484","","","","","","1.112","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121646","16.0909","0.0008","16.0909","0.0008","19.4144","0.001","90","","90","","120","","4353.3","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km16","","","- C24 H36 B3 N12 Tb -","- C24 H36 B3 N12 Tb -","- C144 H216 B18 N72 Tb6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0137","0.0135","","","0.0322","0.0325","","","","","","1.154","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121647","16.412","0.01","16.412","0.01","19.192","0.011","90","","90","","120","","4477","5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","km12","","","- C24 H36 B3 N12 U -","- C24 H36 B3 N12 U -","- C144 H216 B18 N72 U6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0179","0.0153","","","0.0363","0.0371","","","","","","1.091","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121648","16.2056","0.0015","16.2056","0.0015","19.9312","0.0018","90","","90","","120","","4533.1","0.7","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km21","","","- C24 H36 B3 N12 U -","- C24 H36 B3 N12 U -","- C144 H216 B18 N72 U6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0248","0.021","","","0.0513","0.0531","","","","","","1.188","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121649","16.0838","0.001","16.0838","0.001","19.4499","0.0012","90","","90","","120","","4357.4","0.5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","KM37","","","- C24 H36 B3 N12 Y -","- C24 H36 B3 N12 Y -","- C144 H216 B18 N72 Y6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0214","0.0201","","","0.0548","0.0556","","","","","","1.094","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121650","16.0538","0.0018","16.0538","0.0018","19.783","0.002","90","","90","","120","","4415.5","0.8","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km25","","","- C24 H36 B3 Er N12 -","- C24 H36 B3 Er N12 -","- C144 H216 B18 Er6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0178","0.0162","","","0.0376","0.0382","","","","","","1.089","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121651","16.0584","0.0007","16.0584","0.0007","19.4547","0.0008","90","","90","","120","","4344.7","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km24","","","- C24 H36 B3 Ho N12 -","- C24 H36 B3 Ho N12 -","- C144 H216 B18 Ho6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0149","0.0142","","","0.034","0.0343","","","","","","1.074","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121652","16.0883","0.0006","16.0883","0.0006","19.8659","0.0007","90","","90","","120","","4453.1","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km20","","","- C24 H36 B3 N12 Tb -","- C24 H36 B3 N12 Tb -","- C144 H216 B18 N72 Tb6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0216","0.0194","","","0.0428","0.0437","","","","","","1.085","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121653","16.0508","0.0008","16.0508","0.0008","19.82","0.0011","90","","90","","120","","4422.1","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","KM38","","","- C24 H36 B3 N12 Y -","- C24 H36 B3 N12 Y -","- C144 H216 B18 N72 Y6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0294","0.0248","","","0.0586","0.0603","","","","","","1.075","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121654","12.1963","0.0016","6.6666","0.0012","7.014","0.0011","90","","105.85","0.01","90","","548.61","0.15","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H8 B2 F4 N4 -","- C10 H8 B2 F4 N4 -","- C20 H16 B4 F8 N8 -","2","0.25","","Tamgho, Ingrid-Suzy; Hasheminasab, Abed; Engle, James T.; Nemykin, Victor N.; Ziegler, Christopher J.","A New Highly Fluorescent and Symmetric Pyrrole-BF2 Chromophore: BOPHY.","Journal of the American Chemical Society","2014","136","15","5623","","10.1021/ja502477a","","","1.54178","CuKα","","0.0528","0.0508","","","0.1556","0.1578","","","","","","1.276","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4121655","8.9665","0.0005","9.2535","0.0005","9.3048","0.0005","89.782","0.003","82.21","0.003","70.804","0.002","721.69","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H20 N4 -","- C14 H18 N4 -","- C28 H36 N8 -","2","1","","Tamgho, Ingrid-Suzy; Hasheminasab, Abed; Engle, James T.; Nemykin, Victor N.; Ziegler, Christopher J.","A New Highly Fluorescent and Symmetric Pyrrole-BF2 Chromophore: BOPHY.","Journal of the American Chemical Society","2014","136","15","5623","","10.1021/ja502477a","","","0.71073","MoKα","","0.0469","0.0408","","","0.1064","0.1112","","","","","","1.039","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121656","9.1674","0.0003","11.8374","0.0004","7.2745","0.0003","90","","109.091","0.002","90","","746","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B2 F4 N4 -","- C14 H16 B2 F4 N4 -","- C28 H32 B4 F8 N8 -","2","0.5","","Tamgho, Ingrid-Suzy; Hasheminasab, Abed; Engle, James T.; Nemykin, Victor N.; Ziegler, Christopher J.","A New Highly Fluorescent and Symmetric Pyrrole-BF2 Chromophore: BOPHY.","Journal of the American Chemical Society","2014","136","15","5623","","10.1021/ja502477a","","","1.54178","CuKα","","0.0349","0.0325","","","0.0948","0.0969","","","","","","1.059","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121657","5.6372","0.0008","8.3368","0.0012","23.552","0.003","90","","93.317","0.002","90","","1105","0.3","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 Br N2 O -","- C27 H23 Br N2 O -","- C54 H46 Br2 N4 O2 -","2","1","","Matthew, Smitha C.; Glasspoole, Ben W.; Eisenberger, Patrick; Crudden, Cathleen M.","Synthesis of enantiomerically enriched triarylmethanes by enantiospecific suzuki-miyaura cross-coupling reactions.","Journal of the American Chemical Society","2014","136","16","5828","5831","10.1021/ja412159g","","","0.71073","MoKα","","0.0429","0.0325","","","0.0635","0.0671","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121658","11.5311","0.0003","11.5311","0.0003","23.9069","0.0011","90","","90","","90","","3178.81","0.19","100","","100","","","","","","","","","4","P 43","P 4cw","78","","LEO-1312-035-F11-13","","- C29 H52 O5 Si2 -","- C29 H52 O5 Si2 -","- C116 H208 O20 Si8 -","4","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","x-ray","0.71073","MoKα","K-L~3~","0.0397","0.0331","","","0.074","0.0758","","","","","","1.086","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121659","6.8166","0.0001","8.3757","0.0001","15.2655","0.0002","90","","94.829","0.001","90","","868.47","0.02","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","x-ray","1.54178","CuKα","K-L~3~","0.0293","0.0288","","","0.0743","0.0749","","","","","","1.085","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121660","6.4228","0.0003","18.912","0.0008","27.416","0.0011","90","","90","","90","","3330.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H46 N2 O9 Si -","- C33 H46 N2 O9 Si -","- C132 H184 N8 O36 Si4 -","4","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","","1.54178","CuKα","","0.039","0.0366","","","0.0902","0.0919","","","","","","1.059","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121661","19.623","0.003","19.38","0.002","28.572","0.004","90","","91.685","0.004","90","","10861","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H46 N2 O9 Si -","- C33 H46 N2 O9 Si -","- C396 H552 N24 O108 Si12 -","12","6","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","","0.71073","MoKα","","0.1112","0.0741","","","0.1852","0.201","","","","","","1.013","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121662","7.3627","0.0003","16.7402","0.0006","18.4583","0.0006","90","","90","","90","","2275.04","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O9 -","- C24 H26 N2 O9 -","- C96 H104 N8 O36 -","4","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","","1.54178","CuKα","","0.0512","0.0438","","","0.1061","0.1119","","","","","","1.038","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121663","14.3507","0.0003","14.4432","0.0003","14.5134","0.0003","90","","90","","90","","3008.19","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 O2 Si2 -","- C27 H48 O2 Si2 -","- C108 H192 O8 Si8 -","4","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","","0.71073","MoKα","","0.033","0.0289","","","0.071","0.0737","","","","","","1.028","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121664","13.9788","0.0005","13.9788","0.0005","14.9179","0.0006","90","","90","","120","","2524.52","0.16","100","2","100","2","","","","","","","","4","P 31","P 31","144","","","","- C35 H45 Br O8 -","- C35 H45 Br O8 -","- C105 H135 Br3 O24 -","3","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","","1.54178","CuKα","","0.0353","0.0319","","","0.0749","0.0765","","","","","","1.046","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121665","21.972","0.004","5.2014","0.001","12.991","0.002","90","","117.393","0.003","90","","1318.2","0.4","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Peifer, Manuel; Berger, Raphaëlle; Shurtleff, Valerie W.; Conrad, Jay C.; Macmillan, David W. C.","A General and Enantioselective Approach to Pentoses: A Rapid Synthesis of PSI-6130, the Nucleoside Core of Sofosbuvir.","Journal of the American Chemical Society","2014","136","16","5900","5903","10.1021/ja502205q","","","0.71073","MoKα","","0.0273","0.0265","","","0.0681","0.0688","","","","","","1.037","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121666","7.0402","0.0013","8.819","0.0016","20.478","0.004","90","","90","","90","","1271.4","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Peifer, Manuel; Berger, Raphaëlle; Shurtleff, Valerie W.; Conrad, Jay C.; Macmillan, David W. C.","A General and Enantioselective Approach to Pentoses: A Rapid Synthesis of PSI-6130, the Nucleoside Core of Sofosbuvir.","Journal of the American Chemical Society","2014","136","16","5900","5903","10.1021/ja502205q","","","0.71073","MoKα","","0.0266","0.0264","","","0.0683","0.0684","","","","","","1.018","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121667","6.108","0.007","7.994","0.008","25.1","0.03","90","","90","","90","","1226","2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","RB1-339","","","- C13 H15 F O4 -","- C13 H15 F O4 -","- C52 H60 F4 O16 -","4","1","","Peifer, Manuel; Berger, Raphaëlle; Shurtleff, Valerie W.; Conrad, Jay C.; Macmillan, David W. C.","A General and Enantioselective Approach to Pentoses: A Rapid Synthesis of PSI-6130, the Nucleoside Core of Sofosbuvir.","Journal of the American Chemical Society","2014","136","16","5900","5903","10.1021/ja502205q","","","1.54178","","","0.0208","0.0206","","","0.0536","0.0538","","","","","","1.096","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121668","4.7285","0.0002","10.6501","0.0004","27.8949","0.0012","90","","90","","90","","1404.76","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Peifer, Manuel; Berger, Raphaëlle; Shurtleff, Valerie W.; Conrad, Jay C.; Macmillan, David W. C.","A General and Enantioselective Approach to Pentoses: A Rapid Synthesis of PSI-6130, the Nucleoside Core of Sofosbuvir.","Journal of the American Chemical Society","2014","136","16","5900","5903","10.1021/ja502205q","","","1.54178","CuKα","","0.0342","0.0334","","","0.0841","0.0845","","","","","","1.071","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121669","10.0441","0.0015","7.5267","0.0012","13.403","0.002","90","","99.133","0.006","90","","1000.4","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Ni -","- C13 H14 Ni -","- C52 H56 Ni4 -","4","1","","Baljak, Sladjana; Russell, Andrew D.; Binding, Samantha C.; Haddow, Mairi F.; O'Hare, Dermot; Manners, Ian","Ring-opening polymerization of a strained [3]nickelocenophane: a route to polynickelocenes, a class of s = 1 metallopolymers.","Journal of the American Chemical Society","2014","136","16","5864","5867","10.1021/ja5014745","","","1.54178","CuKα","","0.0307","0.0293","","","0.0771","0.0778","","","","","","1.076","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121670","14.6218","0.0007","14.7718","0.0007","15.8406","0.0008","88.237","0.003","85.557","0.002","66.108","0.002","3118.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 N2 Ni O -","- C38 H46 N2 Ni O -","- C152 H184 N8 Ni4 O4 -","4","2","","Baljak, Sladjana; Russell, Andrew D.; Binding, Samantha C.; Haddow, Mairi F.; O'Hare, Dermot; Manners, Ian","Ring-opening polymerization of a strained [3]nickelocenophane: a route to polynickelocenes, a class of s = 1 metallopolymers.","Journal of the American Chemical Society","2014","136","16","5864","5867","10.1021/ja5014745","","","0.71073","MoKα","","0.0659","0.0444","","","0.1134","0.1243","","","","","","1.067","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121671","10.141","0.004","18.471","0.007","18.792","0.007","90","","100.504","0.007","90","","3461","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H37 B F15 N -","- C34 H36.6764 B F15 N -","- C136 H146.706 B4 F60 N4 -","4","1","","Lawrence, Elliot J.; Oganesyan, Vasily S.; Hughes, David L.; Ashley, Andrew E.; Wildgoose, Gregory G.","An electrochemical study of frustrated lewis pairs: a metal-free route to hydrogen oxidation.","Journal of the American Chemical Society","2014","136","16","6031","6036","10.1021/ja500477g","","","0.71075","MoKα","","0.0612","0.0535","","","0.1166","0.1214","","","","","","1.128","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121672","14.8682","0.001","15.3817","0.0009","16.0142","0.0011","87.716","0.002","89.078","0.002","61.844","0.002","3226.4","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H73 B N P3 Ru Si -","- C72 H73 B N P3 Ru Si -","- C144 H146 B2 N2 P6 Ru2 Si2 -","2","1","","Lipke, Mark C.; Neumeyer, Felix; Tilley, T. Don","Interconversion of η(3)-H2SiRR' σ-Complexes and 16-Electron Silylene Complexes via Reversible H-H or C-H Elimination.","Journal of the American Chemical Society","2014","136","16","6092","6102","10.1021/ja501803w","","","0.71073","MoKα","","0.0973","0.0545","","","0.1093","0.1217","","","","","","0.929","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121673","12.4051","0.0012","13.7162","0.0013","20.534","0.002","72.644","0.005","88.841","0.005","65.196","0.004","3004.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H67 B Ge N P3 Ru -","- C69 H67 B Ge N P3 Ru -","- C138 H134 B2 Ge2 N2 P6 Ru2 -","2","1","","Lipke, Mark C.; Neumeyer, Felix; Tilley, T. Don","Interconversion of η(3)-H2SiRR' σ-Complexes and 16-Electron Silylene Complexes via Reversible H-H or C-H Elimination.","Journal of the American Chemical Society","2014","136","16","6092","6102","10.1021/ja501803w","","","0.71073","MoKα","","0.0347","0.0292","","","0.0685","0.0706","","","","","","1.061","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121674","12.1371","0.0006","14.68","0.0006","18.6112","0.0009","70.662","0.002","76.209","0.002","68.311","0.002","2881.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H72 B P3 Ru Si -","- C70 H72 B P3 Ru Si -","- C140 H144 B2 P6 Ru2 Si2 -","2","1","","Lipke, Mark C.; Neumeyer, Felix; Tilley, T. Don","Interconversion of η(3)-H2SiRR' σ-Complexes and 16-Electron Silylene Complexes via Reversible H-H or C-H Elimination.","Journal of the American Chemical Society","2014","136","16","6092","6102","10.1021/ja501803w","","","0.71073","MoKα","","0.0399","0.0323","","","0.0755","0.0798","","","","","","1.049","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121675","24.2555","0.0018","12.5562","0.0009","24.1978","0.0018","90","","95.026","0.002","90","","7341.3","0.9","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 F9 Ir N3 O6 S2 -","- C31 H36 F9 Ir N3 O6 S2 -","- C248 H288 F72 Ir8 N24 O48 S16 -","8","2","","Kim, Hyunwoo; Shin, Kwangmin; Chang, Sukbok","Iridium-catalyzed C-h amination with anilines at room temperature: compatibility of iridacycles with external oxidants.","Journal of the American Chemical Society","2014","136","16","5904","5907","10.1021/ja502270y","","","0.71073","MoKα","","0.0586","0.0406","","","0.0937","0.1069","","","","","","1.125","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121676","8.4476","0.0013","10.5579","0.0016","12.962","0.002","81.34","0.004","82.196","0.004","77.787","0.004","1110.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N4 O Rh -","- C23 H23 N4 O Rh -","- C46 H46 N8 O2 Rh2 -","2","1","","Imler, Gregory H.; Zdilla, Michael J.; Wayland, Bradford B.","Equilibrium Thermodynamics To Form a Rhodium Formyl Complex from Reactions of CO and H2: Metal σ Donor Activation of CO.","Journal of the American Chemical Society","2014","136","16","5856","5859","10.1021/ja501173d","","","0.71073","MoKα","","0.0571","0.0393","","","0.0731","0.077","","","","","","0.981","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121677","10.288","0.0005","14.6996","0.0007","15.4572","0.0008","90","","99.506","0.001","90","","2305.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Cl2 N4 Rh -","- C25 H29 Cl2 N4 Rh -","- C100 H116 Cl8 N16 Rh4 -","4","1","","Imler, Gregory H.; Zdilla, Michael J.; Wayland, Bradford B.","Equilibrium Thermodynamics To Form a Rhodium Formyl Complex from Reactions of CO and H2: Metal σ Donor Activation of CO.","Journal of the American Chemical Society","2014","136","16","5856","5859","10.1021/ja501173d","","","0.71073","MoKα","","0.0376","0.0246","","","0.0554","0.0582","","","","","","0.977","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121678","10.115","0.0018","11.94","0.002","17.117","0.003","87.852","0.003","76.963","0.003","68.835","0.002","1875.9","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","B in manuscript","","","- C40 H56 Cl N O P2 Ru -","- C40 H56 Cl N O P2 Ru -","- C80 H112 Cl2 N2 O2 P4 Ru2 -","2","1","","Ye, Xuan; Plessow, Philipp N.; Brinks, Marion K.; Schelwies, Mathias; Schaub, Thomas; Rominger, Frank; Paciello, Rocco; Limbach, Michael; Hofmann, Peter","Alcohol amination with ammonia catalyzed by an acridine-based ruthenium pincer complex: a mechanistic study.","Journal of the American Chemical Society","2014","136","16","5923","5929","10.1021/ja409368a","","","0.71073","MoKα","","0.0496","0.0354","","","0.086","0.0925","","","","","","1.086","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121679","15.6113","0.0018","13.7775","0.0015","17.341","0.002","90","","91.599","0.002","90","","3728.3","0.7","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","B(prime) in manuscript","","","- C40 H56 Cl N O P2 Ru -","- C40 H56 Cl N O P2 Ru -","- C160 H224 Cl4 N4 O4 P8 Ru4 -","4","1","","Ye, Xuan; Plessow, Philipp N.; Brinks, Marion K.; Schelwies, Mathias; Schaub, Thomas; Rominger, Frank; Paciello, Rocco; Limbach, Michael; Hofmann, Peter","Alcohol amination with ammonia catalyzed by an acridine-based ruthenium pincer complex: a mechanistic study.","Journal of the American Chemical Society","2014","136","16","5923","5929","10.1021/ja409368a","","","0.71073","MoKα","","0.0473","0.0339","","","0.0735","0.0775","","","","","","0.951","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121680","9.3907","0.0003","12.8593","0.0004","16.0266","0.0005","91.686","0.001","105.557","0.001","98.583","0.001","1838.65","0.1","200","2","200","2","","","","","","","","7","P -1","-P 1","2","E in manuscript","","","- C40 H54 Cl N O P2 Ru -","- C40 H54 Cl N O P2 Ru -","- C80 H108 Cl2 N2 O2 P4 Ru2 -","2","1","","Ye, Xuan; Plessow, Philipp N.; Brinks, Marion K.; Schelwies, Mathias; Schaub, Thomas; Rominger, Frank; Paciello, Rocco; Limbach, Michael; Hofmann, Peter","Alcohol amination with ammonia catalyzed by an acridine-based ruthenium pincer complex: a mechanistic study.","Journal of the American Chemical Society","2014","136","16","5923","5929","10.1021/ja409368a","","","0.71073","MoKα","","0.0474","0.0358","","","0.0804","0.0857","","","","","","1.08","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121681","20.1573","0.0016","18.8644","0.0016","23.933","0.0019","90","","108.211","0.003","90","","8644.8","1.2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","F in manuscript","","","- C46 H71 N O P2 Ru -","- C46 H71 N O P2 Ru -","- C368 H568 N8 O8 P16 Ru8 -","8","1","","Ye, Xuan; Plessow, Philipp N.; Brinks, Marion K.; Schelwies, Mathias; Schaub, Thomas; Rominger, Frank; Paciello, Rocco; Limbach, Michael; Hofmann, Peter","Alcohol amination with ammonia catalyzed by an acridine-based ruthenium pincer complex: a mechanistic study.","Journal of the American Chemical Society","2014","136","16","5923","5929","10.1021/ja409368a","","","0.71073","MoKα","","0.0914","0.0607","","","0.1314","0.1439","","","","","","1.066","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121682","11.2357","0.0008","13.8823","0.0009","14.553","0.001","99.648","0.001","106.075","0.001","99.239","0.001","2098.4","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","G in manuscript","","","- C44 H64 N O2 P2 Ru -","- C44 H64 N O2 P2 Ru -","- C88 H128 N2 O4 P4 Ru2 -","2","1","","Ye, Xuan; Plessow, Philipp N.; Brinks, Marion K.; Schelwies, Mathias; Schaub, Thomas; Rominger, Frank; Paciello, Rocco; Limbach, Michael; Hofmann, Peter","Alcohol amination with ammonia catalyzed by an acridine-based ruthenium pincer complex: a mechanistic study.","Journal of the American Chemical Society","2014","136","16","5923","5929","10.1021/ja409368a","","","0.71073","MoKα","","0.075","0.051","","","0.1116","0.1244","","","","","","1.05","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121683","9.0086","0.0012","8","0.0009","26.351","0.004","90","","92.078","0.004","90","","1897.8","0.4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","leung758s","","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C84 H92 N4 O16 S4 -","4","1","","Toh, Kah Kah; Biswas, Anup; Wang, Yi-Feng; Tan, Yun Yun; Chiba, Shunsuke","Copper-Mediated Oxidative Transformation of N-Allyl Enamine Carboxylates toward Synthesis of Azaheterocycles.","Journal of the American Chemical Society","2014","136","16","6011","6020","10.1021/ja500382c","","","0.71073","MoKα","","0.0992","0.0519","","","0.1243","0.1703","","","","","","1.03","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121684","8.1157","0.0003","17.0873","0.0007","18.5821","0.0008","90","","91.54","0.002","90","","2575.95","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H35.62 Br1.1 F0.9 N4 Ni -","- C27.472 H35.648 Br1.0872 F0.912 N4 Ni -","- C109.888 H142.592 Br4.3488 F3.648 N16 Ni4 -","4","1","","Zheng, Bo; Tang, Fengzhi; Luo, Jia; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Organometallic Nickel(III) Complexes Relevant to Cross-Coupling and Carbon-Heteroatom Bond Formation Reactions.","Journal of the American Chemical Society","2014","136","17","6499","6504","10.1021/ja5024749","","","0.71073","MoKα","","0.0496","0.0344","","","0.0664","0.0713","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121685","11.2518","0.0005","24.698","0.0011","13.5396","0.0005","90","","106.176","0.003","90","","3613.7","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C68 H96 Br2 F14 N8 Ni2 O3 P2 -","- C68 H96 Br2 F14 N8 Ni2 O3 P2 -","- C136 H192 Br4 F28 N16 Ni4 O6 P4 -","2","0.5","","Zheng, Bo; Tang, Fengzhi; Luo, Jia; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Organometallic Nickel(III) Complexes Relevant to Cross-Coupling and Carbon-Heteroatom Bond Formation Reactions.","Journal of the American Chemical Society","2014","136","17","6499","6504","10.1021/ja5024749","","","0.71073","MoKα","","0.0904","0.0455","","","0.088","0.1039","","","","","","1.002","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121686","11.7748","0.0019","15.072","0.003","19.717","0.005","75.795","0.016","77.796","0.011","89.143","0.011","3313","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H81 Cl2 F14 N8 Ni2 O P2 -","- C60 H81 Cl2 F14 N8 Ni2 O P2 -","- C120 H162 Cl4 F28 N16 Ni4 O2 P4 -","2","1","","Zheng, Bo; Tang, Fengzhi; Luo, Jia; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Organometallic Nickel(III) Complexes Relevant to Cross-Coupling and Carbon-Heteroatom Bond Formation Reactions.","Journal of the American Chemical Society","2014","136","17","6499","6504","10.1021/ja5024749","","","0.71073","MoKα","","0.3185","0.1014","","","0.2118","0.3069","","","","","","0.952","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121687","12.544","0.0005","19.6426","0.0007","13.4083","0.0005","90","","100.395","0.002","90","","3249.5","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H49 F N4 Ni O -","- C33 H49 F N4 Ni O -","- C132 H196 F4 N16 Ni4 O4 -","4","1","","Zheng, Bo; Tang, Fengzhi; Luo, Jia; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Organometallic Nickel(III) Complexes Relevant to Cross-Coupling and Carbon-Heteroatom Bond Formation Reactions.","Journal of the American Chemical Society","2014","136","17","6499","6504","10.1021/ja5024749","","","0.71073","MoKα","","0.1107","0.085","","","0.2411","0.2575","","","","","","1.102","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121688","9.1591","0.0016","15.697","0.003","12.779","0.002","90","","109.616","0.003","90","","1730.6","0.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H54 N4 P2 Si6 -","- C18 H54 N4 P2 Si6 -","- C36 H108 N8 P4 Si12 -","2","0.5","","Su, Yuanting; Zheng, Xin; Wang, Xingyong; Zhang, Xuan; Sui, Yunxia; Wang, Xinping","Two stable phosphorus-containing four-membered ring radical cations with inverse spin density distributions.","Journal of the American Chemical Society","2014","136","17","6251","6254","10.1021/ja502675d","","","0.71073","MoKα","","0.0462","0.0373","","","0.0972","0.1047","","","","","","1.017","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121689","20.399","0.009","12.003","0.005","20.446","0.009","90","","117.444","0.007","90","","4443","3","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C20 H58 Cl4 F6 N4 P2 Sb Si6 -","- C20 H58 Cl4 F6 N4 P2 Sb Si6 -","- C80 H232 Cl16 F24 N16 P8 Sb4 Si24 -","4","0.5","","Su, Yuanting; Zheng, Xin; Wang, Xingyong; Zhang, Xuan; Sui, Yunxia; Wang, Xinping","Two stable phosphorus-containing four-membered ring radical cations with inverse spin density distributions.","Journal of the American Chemical Society","2014","136","17","6251","6254","10.1021/ja502675d","","","0.71073","MoKα","","0.1447","0.1064","","","0.2882","0.3355","","","","","","1.131","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121690","34.601","0.006","24.181","0.004","7.6392","0.0013","90","","90","","90","","6391.6","1.9","123","2","123","2","","","","","","","","4","C m m a","-C 2a 2","67","","","","- C24 H56 N4 P4 -","- C24 H56 N4 P4 -","- C192 H448 N32 P32 -","8","0.5","","Su, Yuanting; Zheng, Xin; Wang, Xingyong; Zhang, Xuan; Sui, Yunxia; Wang, Xinping","Two stable phosphorus-containing four-membered ring radical cations with inverse spin density distributions.","Journal of the American Chemical Society","2014","136","17","6251","6254","10.1021/ja502675d","","","0.71073","MoKα","","0.1898","0.1794","","","0.4648","0.4846","","","","","","1.535","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121691","11.342","0.002","15.121","0.003","19.848","0.004","108.347","0.003","94.619","0.003","104.58","0.003","3079.2","1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H56 Al F36 N4 O4 P4 -","- C40 H56 Al F36 N4 O4 P4 -","- C80 H112 Al2 F72 N8 O8 P8 -","2","1","","Su, Yuanting; Zheng, Xin; Wang, Xingyong; Zhang, Xuan; Sui, Yunxia; Wang, Xinping","Two stable phosphorus-containing four-membered ring radical cations with inverse spin density distributions.","Journal of the American Chemical Society","2014","136","17","6251","6254","10.1021/ja502675d","","","0.71073","MoKα","","0.1063","0.0757","","","0.2107","0.2502","","","","","","0.974","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121692","18.6895","0.0005","18.6895","0.0005","37.6886","0.0009","90","","90","","120","","11400.8","0.5","100","0.19","100","0.19","","","","","","","","5","R -3 m","-R 3 2""","166","","","","- C20 H8 Cu2 N2 O11 -","- C20 H8 Cu2 N2 O11 -","- C180 H72 Cu18 N18 O99 -","9","","","Li, Bin; Wen, Hui-Min; Wang, Hailong; Wu, Hui; Tyagi, Madhusudan; Yildirim, Taner; Zhou, Wei; Chen, Banglin","A porous metal-organic framework with dynamic pyrimidine groups exhibiting record high methane storage working capacity.","Journal of the American Chemical Society","2014","136","17","6207","6210","10.1021/ja501810r","","","0.71073","MoKα","","0.0896","0.0808","","","0.2558","0.2627","","","","","","1.108","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121693","8.0015","0.0008","10.3219","0.001","34.795","0.003","90","","90","","90","","2873.7","0.5","123","0.1","123","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 N O3 -","- C31 H36 N O3 -","- C124 H144 N4 O12 -","4","1","","Leskinen, Mikko V.; Madarász, Adám; Yip, Kai-Tai; Vuorinen, Aini; Pápai, Imre; Neuvonen, Antti J.; Pihko, Petri M.","Cross-Dehydrogenative Couplings between Indoles and β-Keto Esters: Ligand-Assisted Ligand Tautomerization and Dehydrogenation via a Proton-Assisted Electron Transfer to Pd(II).","Journal of the American Chemical Society","2014","136","17","6453","6462","10.1021/ja501681y","","x-ray","1.54184","CuKα","","0.1308","0.1074","","","0.275","0.3025","","","","","","1.051","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121694","10.61764","0.00009","18.45055","0.00017","24.5248","0.0002","90","","99.3175","0.0008","90","","4741.05","0.07","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 F6 N2 O10 Pd2 -","- C38 H36 F6 N2 O10 Pd2 -","- C152 H144 F24 N8 O40 Pd8 -","4","1","","Leskinen, Mikko V.; Madarász, Adám; Yip, Kai-Tai; Vuorinen, Aini; Pápai, Imre; Neuvonen, Antti J.; Pihko, Petri M.","Cross-Dehydrogenative Couplings between Indoles and β-Keto Esters: Ligand-Assisted Ligand Tautomerization and Dehydrogenation via a Proton-Assisted Electron Transfer to Pd(II).","Journal of the American Chemical Society","2014","136","17","6453","6462","10.1021/ja501681y","","","1.54184","CuKα","","0.0362","0.0339","","","0.0817","0.0829","","","","","","1.05","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121695","15.9571","0.0012","16.2774","0.0013","18.1897","0.0014","72.796","0.003","72.89","0.002","77.158","0.002","4265.9","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C142 H220 Cl30 Cu3 I3 N6 -","- C142 H220 Cl30 Cu3 I3 N6 -","- C142 H220 Cl30 Cu3 I3 N6 -","1","0.5","","Weinberger, David S.; Amin Sk, Nurul; Mondal, Kartik Chandra; Melaimi, Mohand; Bertrand, Guy; Stückl, A Claudia; Roesky, Herbert W.; Dittrich, Birger; Demeshko, Serhiy; Schwederski, Brigitte; Kaim, Wolfgang; Jerabek, Paul; Frenking, Gernot","Isolation of Neutral Mononuclear Copper Complexes Stabilized by Two Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2014","136","17","6235","6238","10.1021/ja502521b","","x-ray","0.71073","MoKα","","0.0923","0.0552","","","0.1126","0.1342","","","","","","1.021","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121696","10.567","0.002","10.594","0.002","11.848","0.002","70.38","0.03","74.26","0.03","75.68","0.03","1184.5","0.5","100","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H39 Cu0.5 N -","- C27 H39 Cu0.5 N -","- C54 H78 Cu N2 -","2","1","","Weinberger, David S.; Amin Sk, Nurul; Mondal, Kartik Chandra; Melaimi, Mohand; Bertrand, Guy; Stückl, A Claudia; Roesky, Herbert W.; Dittrich, Birger; Demeshko, Serhiy; Schwederski, Brigitte; Kaim, Wolfgang; Jerabek, Paul; Frenking, Gernot","Isolation of Neutral Mononuclear Copper Complexes Stabilized by Two Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2014","136","17","6235","6238","10.1021/ja502521b","","","0.6199","","","0.0357","0.0329","","","0.0941","0.0965","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121697","9.5174","0.0003","12.0455","0.0003","17.6337","0.0005","86.172","0.002","84.756","0.002","76.646","0.002","1956.49","0.1","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H70 Cu N2 -","- C44 H70 Cu N2 -","- C88 H140 Cu2 N4 -","2","1","","Weinberger, David S.; Amin Sk, Nurul; Mondal, Kartik Chandra; Melaimi, Mohand; Bertrand, Guy; Stückl, A Claudia; Roesky, Herbert W.; Dittrich, Birger; Demeshko, Serhiy; Schwederski, Brigitte; Kaim, Wolfgang; Jerabek, Paul; Frenking, Gernot","Isolation of Neutral Mononuclear Copper Complexes Stabilized by Two Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2014","136","17","6235","6238","10.1021/ja502521b","","","0.71073","MoKα","","0.0379","0.0314","","","0.0795","0.083","","","","","","1.065","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121698","8.2456","0.0001","12.3627","0.0002","12.7774","0.0002","83.0987","0.0006","73.8045","0.0007","72.8974","0.0008","1194.47","0.03","446","2","446.15","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H52 N4 O8 -","- C60 H52 N4 O8 -","- C60 H52 N4 O8 -","1","0.5","","Li, Hui; Hughes, Russell P.; Wu, Jimmy","Dearomative indole (3 + 2) cycloaddition reactions.","Journal of the American Chemical Society","2014","136","17","6288","6296","10.1021/ja412435b","","","1.54184","CuKα","","0.0582","0.0534","","","0.1717","0.178","","","","","","1.48","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121699","10.0359","0.0018","10.4992","0.0019","10.888","0.002","81.541","0.002","69.756","0.002","70.441","0.002","1013.6","0.3","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N O -","- C27 H27 N O -","- C54 H54 N2 O2 -","2","1","","Li, Hui; Hughes, Russell P.; Wu, Jimmy","Dearomative indole (3 + 2) cycloaddition reactions.","Journal of the American Chemical Society","2014","136","17","6288","6296","10.1021/ja412435b","","","0.71073","MoKα","","0.0656","0.0426","","","0.098","0.1121","","","","","","1.049","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121700","13.0202","0.0008","10.2694","0.0007","18.7419","0.0012","90","","105.571","0.001","90","","2414","0.3","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N2 O4 -","- C30 H26 N2 O4 -","- C120 H104 N8 O16 -","4","1","","Li, Hui; Hughes, Russell P.; Wu, Jimmy","Dearomative indole (3 + 2) cycloaddition reactions.","Journal of the American Chemical Society","2014","136","17","6288","6296","10.1021/ja412435b","","","0.71073","MoKα","","0.0535","0.0405","","","0.093","0.1","","","","","","1.024","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121701","15.3811","0.0003","13.5148","0.0003","19.2527","0.0004","90","","98.9852","0.0007","90","","3953","0.14","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H37 F3 O4 P2 Pd S -","- C46 H37 F3 O4 P2 Pd S -","- C184 H148 F12 O16 P8 Pd4 S4 -","4","1","","Fujino, Daishi; Yorimitsu, Hideki; Osuka, Atsuhiro","Regiocontrolled palladium-catalyzed arylative cyclizations of alkynols.","Journal of the American Chemical Society","2014","136","17","6255","6258","10.1021/ja5029028","","","1.54187","CuKα","","0.0574","0.0503","","","0.1319","0.1469","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121702","9.7792","0.0003","10.4539","0.0003","11.2183","0.0003","100.735","0.0019","103.186","0.002","111.1","0.0018","995.25","0.05","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 N2 O3 S -","- C21 H26 N2 O3 S -","- C42 H52 N4 O6 S2 -","2","1","","Fujino, Daishi; Yorimitsu, Hideki; Osuka, Atsuhiro","Regiocontrolled palladium-catalyzed arylative cyclizations of alkynols.","Journal of the American Chemical Society","2014","136","17","6255","6258","10.1021/ja5029028","","","1.54187","CuKα","","0.064","0.0511","","","0.1248","0.1357","","","","","","1.081","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121703","8.9334","0.0002","11.2354","0.0002","19.4368","0.0004","90","","90","","90","","1950.88","0.07","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O3 S -","- C21 H29 N O3 S -","- C84 H116 N4 O12 S4 -","4","1","","Fujino, Daishi; Yorimitsu, Hideki; Osuka, Atsuhiro","Regiocontrolled palladium-catalyzed arylative cyclizations of alkynols.","Journal of the American Chemical Society","2014","136","17","6255","6258","10.1021/ja5029028","","","1.54187","CuKα","","0.0335","0.0325","","","0.0976","0.0994","","","","","","0.84","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121704","9.2676","0.0004","11.5486","0.0005","15.7879","0.0007","90","","94.439","0.003","90","","1684.68","0.13","93","2","93","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","1","","Fujino, Daishi; Yorimitsu, Hideki; Osuka, Atsuhiro","Regiocontrolled palladium-catalyzed arylative cyclizations of alkynols.","Journal of the American Chemical Society","2014","136","17","6255","6258","10.1021/ja5029028","","","1.54187","CuKα","","0.0612","0.0564","","","0.1215","0.1251","","","","","","1.051","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121705","8.8867","0.0018","22.452","0.005","20.673","0.004","90","","93.025","0.004","90","","4119","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H66 N2 Ni P2 -","- C43 H66 N2 Ni P2 -","- C172 H264 N8 Ni4 P8 -","4","1","","Iluc, Vlad M.; Hillhouse, Gregory L.","Three-coordinate nickel carbene complexes and their one-electron oxidation products.","Journal of the American Chemical Society","2014","136","17","6479","6488","10.1021/ja501900j","","","0.71073","MoKα","","0.0607","0.0503","","","0.1181","0.1236","","","","","","1.076","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121706","11.3623","0.0016","11.4984","0.0016","30.63","0.004","90","","90","","90","","4001.8","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H66 Ni P2 -","- C43 H66 Ni P2 -","- C172 H264 Ni4 P8 -","4","1","","Iluc, Vlad M.; Hillhouse, Gregory L.","Three-coordinate nickel carbene complexes and their one-electron oxidation products.","Journal of the American Chemical Society","2014","136","17","6479","6488","10.1021/ja501900j","","","0.71073","MoKα","","0.0812","0.0574","","","0.0851","0.0912","","","","","","0.947","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121707","12.7248","0.0017","14.8784","0.0019","39.541","0.005","90","","93.228","0.003","90","","7474.2","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H78 B F24 Ni P2 -","- C75 H78 B F24 Ni P2 -","- C300 H312 B4 F96 Ni4 P8 -","4","1","","Iluc, Vlad M.; Hillhouse, Gregory L.","Three-coordinate nickel carbene complexes and their one-electron oxidation products.","Journal of the American Chemical Society","2014","136","17","6479","6488","10.1021/ja501900j","","","0.71073","MoKα","","0.0768","0.0504","","","0.1134","0.1225","","","","","","0.915","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121708","24.967","0.004","20.773","0.003","8.083","0.0012","90","","90","","90","","4192.2","1.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H60 N2 Ni P2 -","- C47 H60 N2 Ni P2 -","- C188 H240 N8 Ni4 P8 -","4","1","","Iluc, Vlad M.; Hillhouse, Gregory L.","Three-coordinate nickel carbene complexes and their one-electron oxidation products.","Journal of the American Chemical Society","2014","136","17","6479","6488","10.1021/ja501900j","","","0.71073","MoKα","","0.1048","0.0593","","","0.1126","0.1231","","","","","","0.863","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121709","11.0989","0.0018","12.179","0.002","16.802","0.003","89.432","0.003","78.88","0.004","64.572","0.003","2005.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H60 Ni P2 -","- C47 H60 Ni P2 -","- C94 H120 Ni2 P4 -","2","1","","Iluc, Vlad M.; Hillhouse, Gregory L.","Three-coordinate nickel carbene complexes and their one-electron oxidation products.","Journal of the American Chemical Society","2014","136","17","6479","6488","10.1021/ja501900j","","","0.71073","MoKα","","0.0697","0.0486","","","0.1024","0.1073","","","","","","0.907","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121710","11.556","0.004","11.052","0.003","14.829","0.005","90","","108.209","0.006","90","","1799.1","1","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 As Cl2 P -","- C18 H22 As Cl2 P -","- C72 H88 As4 Cl8 P4 -","4","1","","Chalmers, Brian A.; Bühl, Michael; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr","Geometrically enforced donor-facilitated dehydrocoupling leading to an isolable arsanylidine-phosphorane.","Journal of the American Chemical Society","2014","136","17","6247","6250","10.1021/ja502625z","","","0.71073","MoKα","","0.0268","0.0241","","","0.0569","0.0587","","","","","","1.042","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121711","16.5","0.004","11.912","0.003","18.07","0.005","90","","113.803","0.005","90","","3249.5","1.5","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 As P -","- C18 H22 As P -","- C144 H176 As8 P8 -","8","2","","Chalmers, Brian A.; Bühl, Michael; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr","Geometrically enforced donor-facilitated dehydrocoupling leading to an isolable arsanylidine-phosphorane.","Journal of the American Chemical Society","2014","136","17","6247","6250","10.1021/ja502625z","","","0.71075","MoKα","","","0.0533","","","","0.1413","","","","","","1.057","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121712","7.519","0.002","8.53","0.002","14.504","0.004","79.9","0.03","81.97","0.03","65.587","0.019","831.6","0.4","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 As P -","- C18 H24 As P -","- C36 H48 As2 P2 -","2","1","","Chalmers, Brian A.; Bühl, Michael; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr","Geometrically enforced donor-facilitated dehydrocoupling leading to an isolable arsanylidine-phosphorane.","Journal of the American Chemical Society","2014","136","17","6247","6250","10.1021/ja502625z","","","0.71075","MoKα","","","0.0639","","","","0.1721","","","","","","1.027","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121713","14.244","0.002","14.7481","0.0019","16.041","0.002","82.916","0.006","73.841","0.005","64.684","0.005","2925.8","0.7","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H80 As3 O7 P3 -","- C60 H72 As3 O7 P3 -","- C120 H144 As6 O14 P6 -","2","1","","Chalmers, Brian A.; Bühl, Michael; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr","Geometrically enforced donor-facilitated dehydrocoupling leading to an isolable arsanylidine-phosphorane.","Journal of the American Chemical Society","2014","136","17","6247","6250","10.1021/ja502625z","","","0.71075","MoKα","","","0.0663","","","","0.1184","","","","","","1.021","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121714","23.375","0.003","15.629","0.002","39.905","0.006","90","","106.088","0.003","90","","14007","3","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H94 As4 O3 P4 -","- C78 H94 As4 O3 P4 -","- C624 H752 As32 O24 P32 -","8","1","","Chalmers, Brian A.; Bühl, Michael; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr","Geometrically enforced donor-facilitated dehydrocoupling leading to an isolable arsanylidine-phosphorane.","Journal of the American Chemical Society","2014","136","17","6247","6250","10.1021/ja502625z","","","0.71075","MoKα","","","0.0388","","","","0.1006","","","","","","0.964","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121715","10.8873","0.0006","14.8827","0.0009","15.9049","0.0009","74.193","0.003","72.57","0.003","74.146","0.002","2313.7","0.2","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H58 K N O5 P2 -","- C52 H58 K N O5 P2 -","- C104 H116 K2 N2 O10 P4 -","2","1","","Zhang, Jiadi; Bellomo, Ana; Trongsiriwat, Nisalak; Jia, Tiezheng; Carroll, Patrick J.; Dreher, Spencer D.; Tudge, Matthew T.; Yin, Haolin; Robinson, Jerome R.; Schelter, Eric J.; Walsh, Patrick J.","NiXantphos: A Deprotonatable Ligand for Room-Temperature Palladium-Catalyzed Cross-Couplings of Aryl Chlorides.","Journal of the American Chemical Society","2014","136","17","6276","6287","10.1021/ja411855d","","","0.71073","MoKα","","0.0906","0.0578","","","0.1423","0.1718","","","","","","1.045","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121716","10.8453","0.0007","18.1426","0.0013","26.216","0.0017","90","","93.676","0.004","90","","5147.7","0.6","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H66 K N O9 P2 -","- C56 H66 K N O9 P2 -","- C224 H264 K4 N4 O36 P8 -","4","1","","Zhang, Jiadi; Bellomo, Ana; Trongsiriwat, Nisalak; Jia, Tiezheng; Carroll, Patrick J.; Dreher, Spencer D.; Tudge, Matthew T.; Yin, Haolin; Robinson, Jerome R.; Schelter, Eric J.; Walsh, Patrick J.","NiXantphos: A Deprotonatable Ligand for Room-Temperature Palladium-Catalyzed Cross-Couplings of Aryl Chlorides.","Journal of the American Chemical Society","2014","136","17","6276","6287","10.1021/ja411855d","","","0.71073","MoKα","","0.0602","0.0535","","","0.1391","0.1456","","","","","","1.028","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121717","39.5647","0.0019","12.2212","0.0006","24.1733","0.0013","90","","124.594","0.002","90","","9621.9","0.9","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 Cl N O P2 Pd -","- C42 H32 Cl N O P2 Pd -","- C336 H256 Cl8 N8 O8 P16 Pd8 -","8","1","","Zhang, Jiadi; Bellomo, Ana; Trongsiriwat, Nisalak; Jia, Tiezheng; Carroll, Patrick J.; Dreher, Spencer D.; Tudge, Matthew T.; Yin, Haolin; Robinson, Jerome R.; Schelter, Eric J.; Walsh, Patrick J.","NiXantphos: A Deprotonatable Ligand for Room-Temperature Palladium-Catalyzed Cross-Couplings of Aryl Chlorides.","Journal of the American Chemical Society","2014","136","17","6276","6287","10.1021/ja411855d","","","0.71073","MoKα","","0.0727","0.0507","","","0.1313","0.1383","","","","","","1.073","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121718","31.977","0.004","14.9581","0.0017","23.583","0.003","90","","129.495","0.004","90","","8704.6","1.9","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H84 K2 N2 O6 P4 Pd -","- C88 H84 K2 N2 O6 P4 Pd -","- C352 H336 K8 N8 O24 P16 Pd4 -","4","0.5","","Zhang, Jiadi; Bellomo, Ana; Trongsiriwat, Nisalak; Jia, Tiezheng; Carroll, Patrick J.; Dreher, Spencer D.; Tudge, Matthew T.; Yin, Haolin; Robinson, Jerome R.; Schelter, Eric J.; Walsh, Patrick J.","NiXantphos: A Deprotonatable Ligand for Room-Temperature Palladium-Catalyzed Cross-Couplings of Aryl Chlorides.","Journal of the American Chemical Society","2014","136","17","6276","6287","10.1021/ja411855d","","","0.71073","MoKα","","0.2019","0.137","","","0.3553","0.3971","","","","","","1.297","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121719","9.6339","0.0008","10.5744","0.0007","9.9361","0.0009","90","","92.246","0.007","90","","1011.44","0.14","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Dimethyl-2-(benzyloxy)-4-(2,5-dioxopyrrolidin-1-yl) cyclopentane-1,1-dicarboxylate","","- C20 H23 N O7 -","- C20 H23 N O7 -","- C40 H46 N2 O14 -","2","1","","de Nanteuil, Florian; Serrano, Eloisa; Perrotta, Daniele; Waser, Jerome","Dynamic kinetic asymmetric [3 + 2] annulation reactions of aminocyclopropanes.","Journal of the American Chemical Society","2014","136","17","6239","6242","10.1021/ja5024578","","x-ray","1.54186","CuKα","","0.0339","0.0329","","","0.0898","0.0903","","","","","","1.052","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121720","9.4821","0.0009","9.4938","0.0007","14.3422","0.0019","90","","103.497","0.009","90","","1255.4","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16.5 H27 Cl3 Cu1.5 N3 O15 -","- C17 H32 Cl2 Cu N2 O12 -","- C34 H64 Cl4 Cu2 N4 O24 -","2","1","","de Nanteuil, Florian; Serrano, Eloisa; Perrotta, Daniele; Waser, Jerome","Dynamic kinetic asymmetric [3 + 2] annulation reactions of aminocyclopropanes.","Journal of the American Chemical Society","2014","136","17","6239","6242","10.1021/ja5024578","","","1.54186","CuKα","","0.0476","0.0459","","","0.1254","0.1271","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121721","17.0682","0.0004","16.9409","0.0004","17.307","0.0005","90","","110.952","0.001","90","","4673.4","0.2","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H46 B F4 N5 P2 Rh -","- C47 H46 B F4 N5 P2 Rh -","- C188 H184 B4 F16 N20 P8 Rh4 -","4","1","","Goldfogel, Matthew J.; Roberts, Courtney C.; Meek, Simon J.","Intermolecular Hydroamination of 1,3-Dienes Catalyzed by Bis(phosphine)carbodicarbene-Rhodium Complexes.","Journal of the American Chemical Society","2014","136","17","6227","6230","10.1021/ja502275w","","","1.54178","CuKα","","0.0437","0.0396","","","0.1041","0.1067","","","","","","1.064","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121722","8.634","0.002","11.104","0.002","12.802","0.002","68.825","0.008","86.934","0.012","87.821","0.012","1142.6","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 B O3 Si -","- C24 H27 B O3 Si -","- C48 H54 B2 O6 Si2 -","2","1","","Ito, Masaki; Itazaki, Masumi; Nakazawa, Hiroshi","Selective boryl silyl ether formation in the photoreaction of bisboryloxide/boroxine with hydrosilane catalyzed by a transition-metal carbonyl complex.","Journal of the American Chemical Society","2014","136","17","6183","6186","10.1021/ja500465x","","","0.7107","MoKα","","0.0966","0.0713","","","0.1454","0.1558","","","","","","1.142","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121723","11.0778","0.0016","15.267","0.002","18.537","0.003","90","","91.017","0.003","90","","3134.6","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 B O2 Si2 -","- C37 H33 B O2 Si2 -","- C148 H132 B4 O8 Si8 -","4","1","","Ito, Masaki; Itazaki, Masumi; Nakazawa, Hiroshi","Selective boryl silyl ether formation in the photoreaction of bisboryloxide/boroxine with hydrosilane catalyzed by a transition-metal carbonyl complex.","Journal of the American Chemical Society","2014","136","17","6183","6186","10.1021/ja500465x","","","0.7107","MoKα","","0.0738","0.0604","","","0.1227","0.1275","","","","","","1.192","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121724","10.523","0.005","11.722","0.005","12.562","0.006","90","","94.948","0.005","90","","1543.8","1.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 B2 Fe O6 Si2 -","- C26 H44 B2 Fe O6 Si2 -","- C52 H88 B4 Fe2 O12 Si4 -","2","0.5","","Ito, Masaki; Itazaki, Masumi; Nakazawa, Hiroshi","Selective boryl silyl ether formation in the photoreaction of bisboryloxide/boroxine with hydrosilane catalyzed by a transition-metal carbonyl complex.","Journal of the American Chemical Society","2014","136","17","6183","6186","10.1021/ja500465x","","","0.7107","MoKα","","0.0662","0.0583","","","0.1183","0.1218","","","","","","1.222","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121725","11.861","0.0006","17.618","0.0008","19.368","0.0005","90","","90","","90","","4047.3","0.3","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(t-Bu2MeSi)2As=P(2,4,6-t-Bu3-C6H2)","","- C36 H71 As Si3 -","- C36 H71 As Si3 -","- C144 H284 As4 Si12 -","4","1","","Lee, Vladimir Ya; Aoki, Shinji; Kawai, Manami; Meguro, Takahiko; Sekiguchi, Akira","Stibasilene sb═si and its lighter homologues: a comparative study.","Journal of the American Chemical Society","2014","136","17","6243","6246","10.1021/ja5026084","","","0.7107","MoKα","","0.061","0.048","","","0.1234","0.1373","","","","","","1.085","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121726","12.0632","0.0013","17.6672","0.0019","19.301","0.002","90","","90","","90","","4113.5","0.8","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H71 Sb Si3 -","- C36 H71 Sb Si3 -","- C144 H284 Sb4 Si12 -","4","1","","Lee, Vladimir Ya; Aoki, Shinji; Kawai, Manami; Meguro, Takahiko; Sekiguchi, Akira","Stibasilene sb═si and its lighter homologues: a comparative study.","Journal of the American Chemical Society","2014","136","17","6243","6246","10.1021/ja5026084","","","0.71073","MoKα","","0.0341","0.0286","","","0.0625","0.065","","","","","","1.009","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121727","19.0462","0.0004","25.0845","0.0006","19.0686","0.0004","90","","92.458","0.002","90","","9101.9","0.3","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44.5 B2 F8 N10.5 O2.5 Ru -","- C42 H44.5 B2 F8 N10.5 O2.5 Ru -","- C336 H356 B16 F64 N84 O20 Ru8 -","8","2","","Ashford, Dennis L.; Lapides, Alexander M.; Vannucci, Aaron K.; Hanson, Kenneth; Torelli, Daniel A.; Harrison, Daniel P.; Templeton, Joseph L.; Meyer, Thomas J.","Water oxidation by an electropolymerized catalyst on derivatized mesoporous metal oxide electrodes.","Journal of the American Chemical Society","2014","136","18","6578","6581","10.1021/ja502464s","","","1.54178","CuKα","","0.1148","0.0687","","","0.166","0.192","","","","","","1.014","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4121728","8.3783","0.0005","29.7661","0.0016","18.5467","0.001","90","","90","","90","","4625.3","0.4","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","BJL-Cy","compound-4m","","- C18 H26 O2 -","- C18 H26 O2 -","- C216 H312 O24 -","12","3","","Li, Bijie; Driess, Matthias; Hartwig, John F.","Iridium-catalyzed regioselective silylation of secondary alkyl C-h bonds for the synthesis of 1,3-diols.","Journal of the American Chemical Society","2014","136","18","6586","6589","10.1021/ja5026479","","","1.54178","CuKα","","0.0319","0.0299","","","0.0774","0.0789","","","","","","1.027","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121729","26.6681","0.0008","6.9135","0.0002","18.1388","0.0005","90","","92.539","0.002","90","","3340.97","0.17","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","BJL-1","compound-5v","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C144 H184 N8 O40 -","8","1","","Li, Bijie; Driess, Matthias; Hartwig, John F.","Iridium-catalyzed regioselective silylation of secondary alkyl C-h bonds for the synthesis of 1,3-diols.","Journal of the American Chemical Society","2014","136","18","6586","6589","10.1021/ja5026479","","","1.54178","CuKα","","0.0561","0.0446","","","0.108","0.115","","","","","","1.039","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121730","16.3011","0.0003","7.747","0.0001","14.8991","0.0003","90","","101.33","0.001","90","","1844.86","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BJL3","compound-5u","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C80 H108 N4 O20 -","4","1","","Li, Bijie; Driess, Matthias; Hartwig, John F.","Iridium-catalyzed regioselective silylation of secondary alkyl C-h bonds for the synthesis of 1,3-diols.","Journal of the American Chemical Society","2014","136","18","6586","6589","10.1021/ja5026479","","","0.71073","MoKα","","0.0405","0.0357","","","0.0836","0.0869","","","","","","1.036","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121731","10.334","0.002","11.469","0.003","12.422","0.003","80.86","0.011","78.93","0.012","74.04","0.009","1380.4","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 Cl2 Cu N7 O9.5 -","- C26 H27 Cl2 Cu N7 O9.5 -","- C52 H54 Cl4 Cu2 N14 O19 -","2","1","","Zhang, Hu; Yao, Bo; Zhao, Liang; Wang, De-Xian; Xu, Bo-Qing; Wang, Mei-Xiang","Direct Synthesis of High-Valent Aryl-Cu(II) and Aryl-Cu(III) Compounds: Mechanistic Insight into Arene C-H Bond Metalation.","Journal of the American Chemical Society","2014","136","17","6326","6332","10.1021/ja412615h","","","0.71073","MoKα","","0.0537","0.0507","","","0.13","0.1325","","","","","","1.095","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121732","10.629","0.004","11.129","0.005","12.417","0.005","111.368","0.004","96.113","0.006","109.468","0.0015","1245.4","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Cl Cu N8 O4 -","- C26 H23 Cl Cu N8 O4 -","- C52 H46 Cl2 Cu2 N16 O8 -","2","1","","Zhang, Hu; Yao, Bo; Zhao, Liang; Wang, De-Xian; Xu, Bo-Qing; Wang, Mei-Xiang","Direct Synthesis of High-Valent Aryl-Cu(II) and Aryl-Cu(III) Compounds: Mechanistic Insight into Arene C-H Bond Metalation.","Journal of the American Chemical Society","2014","136","17","6326","6332","10.1021/ja412615h","","","0.71073","MoKα","","0.0695","0.061","","","0.123","0.1283","","","","","","1.114","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121733","27.12","0.01","8.463","0.003","26.409","0.009","90","","113.04","0.004","90","","5578","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Cl Cu N7 O5 -","- C26 H26 Cl Cu N7 O5 -","- C208 H208 Cl8 Cu8 N56 O40 -","8","1","","Zhang, Hu; Yao, Bo; Zhao, Liang; Wang, De-Xian; Xu, Bo-Qing; Wang, Mei-Xiang","Direct Synthesis of High-Valent Aryl-Cu(II) and Aryl-Cu(III) Compounds: Mechanistic Insight into Arene C-H Bond Metalation.","Journal of the American Chemical Society","2014","136","17","6326","6332","10.1021/ja412615h","","","0.71073","MoKα","","0.0859","0.074","","","0.2099","0.226","","","","","","1.161","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121734","13.0129","0.001","13.9929","0.0011","20.2901","0.0011","88.836","0.005","89.435","0.005","67.668","0.007","3416.8","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H108 K O16 Si4 U -","- C48 H108 K O16 Si4 U -","- C96 H216 K2 O32 Si8 U2 -","2","1","","Cooper, Oliver; Camp, Clément; Pécaut, Jacques; Kefalidis, Christos E.; Maron, Laurent; Gambarelli, Serge; Mazzanti, Marinella","Multimetallic Cooperativity in Uranium-Mediated CO2 Activation.","Journal of the American Chemical Society","2014","136","18","6716","6723","10.1021/ja5017624","","","0.71073","MoKα","","0.1315","0.0791","","","0.1682","0.2036","","","","","","1.051","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121735","13.5351","0.0004","13.6577","0.0004","23.083","0.0007","103.335","0.002","91.577","0.002","118.941","0.003","3584.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H115 K O17 Si4 U -","- C51 H115 K O17 Si4 U -","- C102 H230 K2 O34 Si8 U2 -","2","1","","Cooper, Oliver; Camp, Clément; Pécaut, Jacques; Kefalidis, Christos E.; Maron, Laurent; Gambarelli, Serge; Mazzanti, Marinella","Multimetallic Cooperativity in Uranium-Mediated CO2 Activation.","Journal of the American Chemical Society","2014","136","18","6716","6723","10.1021/ja5017624","","","0.71073","MoKα","","0.0648","0.0431","","","0.0749","0.0809","","","","","","1.046","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121736","24.8819","0.0009","16.4764","0.0005","46.4053","0.0012","90","","92.983","0.003","90","","18998.7","1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69.75 H142 K2 O25 Si4 U -","- C69.75 H142 K2 O25 Si4 U -","- C558 H1136 K16 O200 Si32 U8 -","8","1","","Cooper, Oliver; Camp, Clément; Pécaut, Jacques; Kefalidis, Christos E.; Maron, Laurent; Gambarelli, Serge; Mazzanti, Marinella","Multimetallic Cooperativity in Uranium-Mediated CO2 Activation.","Journal of the American Chemical Society","2014","136","18","6716","6723","10.1021/ja5017624","","","0.71073","MoKα","","0.1468","0.0983","","","0.1447","0.1608","","","","","","1.323","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121737","13.5576","0.0006","13.8032","0.0006","16.9833","0.0007","101.888","0.003","112.316","0.003","98.62","0.003","2784.3","0.2","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ2-η5-13,17-Diethyl-12,18-dimethyldibenzo[b,g]-21,22-dicarbaporphyrinato)-dipalladium(ii)-palladium(iv)","","- C73 H56 Cl3 D N4 Pd3 -","- C73 H57 Cl3 N4 Pd3 -","- C146 H114 Cl6 N8 Pd6 -","2","1","","Abusalim, Deyaa I.; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis of an adj-Dicarbaporphyrin and the Formation of an Unprecedented Tripalladium Sandwich Complex.","Journal of the American Chemical Society","2014","136","18","6763","6772","10.1021/ja502795x","","","0.71073","MoKα","","0.1103","0.0648","","","","0.1777","","","","","","1.081","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121738","8.443","0.003","8.444","","18.557","0.006","90","","90","","90","","1323","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N S -","- C14 H17 N S -","- C56 H68 N4 S4 -","4","1","","Zhuo, Chun-Xiang; Zhou, Yong; You, Shu-Li","Highly Regio- and Enantioselective Synthesis of Polysubstituted 2H-Pyrroles via Pd-Catalyzed Intermolecular Asymmetric Allylic Dearomatization of Pyrroles.","Journal of the American Chemical Society","2014","136","18","6590","6593","10.1021/ja5028138","","","0.71073","MoKα","","0.0604","0.0416","","","0.0806","0.0871","","","","","","1.037","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121739","9.814","0.002","5.6952","0.0011","16.213","0.003","90","","101.13","0.03","90","","889.1","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 N O -","- C23 H23 N O -","- C46 H46 N2 O2 -","2","1","","He, Ruoyu; Jin, Xiqing; Chen, Hui; Huang, Zhi-Tang; Zheng, Qi-Yu; Wang, Congyang","Mn-catalyzed three-component reactions of imines/nitriles, grignard reagents, and tetrahydrofuran: an expedient access to 1,5-amino/keto alcohols.","Journal of the American Chemical Society","2014","136","18","6558","6561","10.1021/ja503520t","","","0.71073","MoKα","","0.0935","0.0783","","","0.1257","0.133","","","","","","1.164","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121740","12.5099","0.0004","13.121","0.0005","26.2852","0.0008","80.271","0.001","81.917","0.001","88.161","0.001","4210.1","0.2","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C89 H80 Cl4 Hg N8 O12 Pb S3 -","- C89 H80 Cl4 Hg N8 O12 Pb S3 -","- C178 H160 Cl8 Hg2 N16 O24 Pb2 S6 -","2","1","","Le Gac, Stéphane; Fusaro, Luca; Roisnel, Thierry; Boitrel, Bernard","Heterobimetallic porphyrin complexes displaying triple dynamics: coupled metal motions controlled by constitutional evolution.","Journal of the American Chemical Society","2014","136","18","6698","6715","10.1021/ja501926f","","x-ray","0.71073","MoKα","","0.0715","0.0594","","","0.1332","0.1396","","","","","","1.116","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121741","12.73","0.0012","49.192","0.004","13.2149","0.0012","90","","92.641","0.002","90","","8266.6","1.3","150","2","150","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C171 H142 Cd2 N16 O22 Pb2 S5 -","- C171 H142 Cd2 N16 O22 Pb2 S5 -","- C342 H284 Cd4 N32 O44 Pb4 S10 -","2","1","","Le Gac, Stéphane; Fusaro, Luca; Roisnel, Thierry; Boitrel, Bernard","Heterobimetallic porphyrin complexes displaying triple dynamics: coupled metal motions controlled by constitutional evolution.","Journal of the American Chemical Society","2014","136","18","6698","6715","10.1021/ja501926f","","x-ray","0.71073","MoKα","","0.0838","0.0718","","","0.1742","0.1799","","","","","","1.033","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121742","8.47709","0.00009","16.63717","0.00015","11.91527","0.00012","90","","102.79","0.001","90","","1638.77","0.03","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 B S2 -","- C19 H17 B S2 -","- C76 H68 B4 S8 -","4","1","","Levine, David R.; Siegler, Maxime A.; Tovar, John D.","Thiophene-Fused Borepins As Directly Functionalizable Boron-Containing π-Electron Systems.","Journal of the American Chemical Society","2014","136","19","7132","7139","10.1021/ja502644e","","","1.5418","CuKα","","0.0305","0.0297","","","0.0791","0.0795","","","","","","1.072","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121743","15.2727","0.0002","8.01478","0.00012","26.8254","0.0004","90","","97.6459","0.0016","90","","3254.43","0.08","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 B S2 -","- C19 H17 B S2 -","- C152 H136 B8 S16 -","8","1","","Levine, David R.; Siegler, Maxime A.; Tovar, John D.","Thiophene-Fused Borepins As Directly Functionalizable Boron-Containing π-Electron Systems.","Journal of the American Chemical Society","2014","136","19","7132","7139","10.1021/ja502644e","","","0.71073","MoKα","","0.0402","0.0343","","","0.0923","0.0962","","","","","","1.036","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121744","6.0733","0.001","8.6732","0.0014","9.2019","0.0016","90.852","0.005","108.997","0.005","94.179","0.005","456.71","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H3 Cl4 N O -","- C6 H3 Cl4 N O -","- C12 H6 Cl8 N2 O2 -","2","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0425","0.0348","","","0.0801","0.0846","","","","","","1.058","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121745","7.4893","0.0007","11.3222","0.0011","11.1631","0.001","90","","102.969","0.003","90","","922.43","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Cl2 O2 -","- C8 H10 Cl2 O2 -","- C32 H40 Cl8 O8 -","4","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0446","0.032","","","0.0657","0.0702","","","","","","1.019","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121746","9.4966","0.0007","10.2364","0.0009","12.0587","0.0011","90","","104.097","0.003","90","","1136.94","0.17","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H13 Cl2 N O -","- C10 H13 Cl2 N O -","- C40 H52 Cl8 N4 O4 -","4","2","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0393","0.033","","","0.0672","0.0705","","","","","","1.037","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121747","4.8259","0.0005","9.2547","0.0011","44.131","0.005","90","","90","","90","","1971","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","EDII140C_B1","","","- C23 H21 Cl O6 -","- C23 H21 Cl O6 -","- C92 H84 Cl4 O24 -","4","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0439","0.0399","","","0.089","0.0913","","","","","","1.066","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121748","10.1255","0.0018","6.6412","0.001","10.6229","0.0017","90","","92.713","0.009","90","","713.5","0.2","200","","200","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C11 H20 Cl N3 O2 -","- C11 H20 Cl N3 O2 -","- C22 H40 Cl2 N6 O4 -","2","0.5","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","x-ray","0.71073","MoKα","","0.0915","0.0698","","","0.1654","0.1771","","","","","","1.055","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121749","21.149","0.004","40.631","0.008","3.8885","0.0007","90","","90","","90","","3341.4","1.1","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H6 Cl2 N2 -","- C8 H6 Cl2 N2 -","- C128 H96 Cl32 N32 -","16","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0599","0.0497","","","0.1262","0.1317","","","","","","1.005","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121750","10.9621","0.0011","6.8681","0.0006","9.707","0.001","90","","90","","90","","730.83","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H6 Cl2 O2 -","- C6 H6 Cl2 O2 -","- C24 H24 Cl8 O8 -","4","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0516","0.0377","","","0.0755","0.0823","","","","","","1.031","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121751","7.4599","0.0004","15.6717","0.0008","10.2844","0.0005","90","","90","","90","","1202.34","0.11","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H9 Cl2 N O2 S -","- C11 H9 Cl2 N O2 S -","- C44 H36 Cl8 N4 O8 S4 -","4","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.029","0.0259","","","0.0635","0.0656","","","","","","1.024","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121752","6.3756","0.0013","7.0803","0.0016","7.9919","0.0018","63.815","0.006","70.832","0.006","70.159","0.006","297.63","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H4 Cl N3 -","- C6 H4 Cl N3 -","- C12 H8 Cl2 N6 -","2","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.037","0.0331","","","0.087","0.0908","","","","","","1.014","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121753","10.1031","0.0007","7.7315","0.0005","18.6457","0.0012","90","","90","","90","","1456.46","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","RR unknown","","","- C7 H8 Cl N O -","- C7 H8 Cl N O -","- C56 H64 Cl8 N8 O8 -","8","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","1.54178","CuKα","","0.0295","0.0291","","","0.0837","0.084","","","","","","1.055","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121754","10.1032","0.0014","8.1016","0.0011","11.0481","0.0016","90","","105.725","0.004","90","","870.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Cl N O2 S -","- C7 H8 Cl N O2 S -","- C28 H32 Cl4 N4 O8 S4 -","4","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0369","0.0303","","","0.0763","0.0809","","","","","","1.025","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121755","7.6158","0.0003","8.4994","0.0003","10.1588","0.0004","75.01","0.002","78.014","0.002","73.334","0.002","602.15","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","RR5174","","","- C10 H16 B Cl N2 O2 -","- C10 H16 B Cl N2 O2 -","- C20 H32 B2 Cl2 N4 O4 -","2","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0312","0.029","","","0.0758","0.0777","","","","","","1.014","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121756","10.3899","0.0012","20.39","0.002","8.7813","0.001","90","","97.789","0.004","90","","1843.2","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl2 N2 -","- C22 H16 Cl2 N2 -","- C88 H64 Cl8 N8 -","4","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0822","0.0559","","","0.1463","0.1606","","","","","","1.055","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121757","8.8504","0.0011","10.2991","0.0011","10.5406","0.0013","76.153","0.005","72.22","0.005","88.192","0.005","887.41","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","CBMG","","","- C5 H8 Cl N3 O4 -","- C5 H8 Cl N3 O4 -","- C20 H32 Cl4 N12 O16 -","4","2","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0349","0.0303","","","0.0756","0.0786","","","","","","1.02","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121758","13.9499","0.0005","13.1575","0.0004","15.5683","0.0007","90","","104.197","0.002","90","","2770.22","0.18","173","","173","2","","","","","","","Local laboratory","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 Br I N O5 S -","- C28 H29 Br I N O5 S -","- C112 H116 Br4 I4 N4 O20 S4 -","4","1","","Sokolovs, Igors; Lubriks, Dmitrijs; Suna, Edgars","Copper-Catalyzed Intermolecular C-H Amination of (Hetero)arenes via Transient Unsymmetrical λ(3)-Iodanes.","Journal of the American Chemical Society","2014","136","19","6920","6928","10.1021/ja502174d","","","0.71073","MoKα","","0.124","0.064","","0.128","0.114","0.114","","","1.094","1.133","1.133","1.124","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4121759","22.794","0.003","12.8303","0.0013","18.2081","0.0019","90","","94.293","0.005","90","","5310.1","1","290","2","290","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","tetrakis(trans-1-(4-pyridyl)-2-phenylethylene-N)-bis (trifluoromethanesulfonate-O)-di-silver(I)","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Hutchins, Kristin M.; Rupasinghe, Thilini P.; Ditzler, Lindsay R.; Swenson, Dale C.; Sander, John R. G.; Baltrusaitis, Jonas; Tivanski, Alexei V.; MacGillivray, Leonard R.","Nanocrystals of a Metal-Organic Complex Exhibit Remarkably High Conductivity that Increases in a Single-Crystal-to-Single-Crystal Transformation.","Journal of the American Chemical Society","2014","136","19","6778","6781","10.1021/ja4131774","","","0.71073","MoKα","","0.1032","0.086","","","0.2396","0.2599","","","","","","1.035","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121760","21.768","0.004","13.498","0.003","17.57","0.004","90","","98.24","0.03","90","","5109.2","1.9","190","2","190","2","","","","","","","","7","C 1 2 1","C 2y","5","","bis(mu2-3,4-diphenylcyclobutane-1,2-bis(4-pyridyl)- N,N')-bis(trifluoromethanesulfonate-O)-di-silver(I)","","- C54 H44 Ag2 F6 N4 O6 S2 -","- C53.99 H44 Ag2 F5.97 N4 O5.97 S1.99 -","- C215.96 H176 Ag8 F23.88 N16 O23.88 S7.96 -","4","1","","Hutchins, Kristin M.; Rupasinghe, Thilini P.; Ditzler, Lindsay R.; Swenson, Dale C.; Sander, John R. G.; Baltrusaitis, Jonas; Tivanski, Alexei V.; MacGillivray, Leonard R.","Nanocrystals of a Metal-Organic Complex Exhibit Remarkably High Conductivity that Increases in a Single-Crystal-to-Single-Crystal Transformation.","Journal of the American Chemical Society","2014","136","19","6778","6781","10.1021/ja4131774","","","0.71073","MoKα","","0.1563","0.1291","","","0.2974","0.3166","","","","","","1.114","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121761","7.8206","0.0003","10.9688","0.0004","11.6123","0.0004","79.086","0.002","73.099","0.002","81.272","0.002","930.9","0.06","186","2","186","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 F6 N3 P Ru -","- C16 H22 F6 N3 P Ru -","- C32 H44 F12 N6 P2 Ru2 -","2","1","","Zeng, Mingshuo; Li, Le; Herzon, Seth B.","A highly active and air-stable ruthenium complex for the ambient temperature anti-markovnikov reductive hydration of terminal alkynes.","Journal of the American Chemical Society","2014","136","19","7058","7067","10.1021/ja501738a","","","0.71073","MoKα","","0.0313","0.0266","","","0.0589","0.0607","","","","","","1.033","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121762","18.775","0.004","5.2389","0.0011","19.165","0.004","90","","113.833","0.002","90","","1724.3","0.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H22 Br N O3 -","- C16 H22 Br N O3 -","- C64 H88 Br4 N4 O12 -","4","1","","Terada, Masahiro; Komuro, Takazumi; Toda, Yasunori; Korenaga, Toshinobu","Mechanistic studies of highly enantio- and diastereoselective aza-petasis-ferrier rearrangement catalyzed by chiral phosphoric Acid.","Journal of the American Chemical Society","2014","136","19","7044","7057","10.1021/ja5017206","","","0.71073","MoKα","","0.0238","0.0212","","","0.0503","0.0512","","","","","","1.063","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121763","19.774","0.006","5.1185","0.0015","17.225","0.005","90","","113.152","0.004","90","","1603","0.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H20 Br N O3 -","- C15 H20 Br N O3 -","- C60 H80 Br4 N4 O12 -","4","1","","Terada, Masahiro; Komuro, Takazumi; Toda, Yasunori; Korenaga, Toshinobu","Mechanistic studies of highly enantio- and diastereoselective aza-petasis-ferrier rearrangement catalyzed by chiral phosphoric Acid.","Journal of the American Chemical Society","2014","136","19","7044","7057","10.1021/ja5017206","","","0.71073","MoKα","","0.0338","0.0304","","","0.0702","0.0714","","","","","","1.013","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121764","6.1724","0.0004","29.6965","0.0019","21.539","0.0015","90","","95.188","0.003","90","","3931.9","0.5","226","1","226","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Rh(3,6-DBSQ-4,5-(MeO)2)(CO)2]","","","- C18 H24 O6 Rh -","- C18 H24 O6 Rh -","- C144 H192 O48 Rh8 -","8","2","","Mitsumi, Minoru; Nishitani, Takashi; Yamasaki, Shota; Shimada, Nayuta; Komatsu, Yuuki; Toriumi, Koshiro; Kitagawa, Yasutaka; Okumura, Mitsutaka; Miyazaki, Yuji; Górska, Natalia; Inaba, Akira; Kanda, Akinori; Hanasaki, Noriaki","Bistable Multifunctionality and Switchable Strong Ferromagnetic-to-Antiferromagnetic Coupling in a One-Dimensional Rhodium(I)-Semiquinonato Complex.","Journal of the American Chemical Society","2014","136","19","7026","7037","10.1021/ja5017014","","x-ray","0.7107","MoKα","","0.0694","0.0428","","","0.0989","0.1101","","","","","","1.065","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121765","6.0396","0.0008","29.968","0.004","21.239","0.003","90","","97.449","0.005","90","","3811.7","0.9","162","1","162","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Rh(3,6-DBSQ-4,5-(MeO)2)(CO)2]","","","- C18 H24 O6 Rh -","- C18 H24 O6 Rh -","- C144 H192 O48 Rh8 -","8","2","","Mitsumi, Minoru; Nishitani, Takashi; Yamasaki, Shota; Shimada, Nayuta; Komatsu, Yuuki; Toriumi, Koshiro; Kitagawa, Yasutaka; Okumura, Mitsutaka; Miyazaki, Yuji; Górska, Natalia; Inaba, Akira; Kanda, Akinori; Hanasaki, Noriaki","Bistable Multifunctionality and Switchable Strong Ferromagnetic-to-Antiferromagnetic Coupling in a One-Dimensional Rhodium(I)-Semiquinonato Complex.","Journal of the American Chemical Society","2014","136","19","7026","7037","10.1021/ja5017014","","x-ray","0.7107","MoKα","","0.096","0.0716","","","0.1249","0.135","","","","","","1.214","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121766","27.8747","0.0004","13.78762","0.00017","45.415","0.0005","90","","90","","90","","17454.2","0.4","90","0.1","90","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60.1 H41.53 I6 N14.07 O3.23 Pd S1.8 Zn3 -","- C60.0996 H41.533 I6 N14.0666 O3.2332 Pd S1.8 Zn3 -","- C480.797 H332.264 I48 N112.533 O25.8656 Pd8 S14.4 Zn24 -","8","1","","Ikemoto, Koki; Inokuma, Yasuhide; Rissanen, Kari; Fujita, Makoto","X-ray Snapshot Observation of Palladium-Mediated Aromatic Bromination in a Porous Complex.","Journal of the American Chemical Society","2014","136","19","6892","6895","10.1021/ja502996h","","","0.71073","MoKα","","0.0717","0.0616","","","0.1835","0.1917","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121767","27.6775","0.0009","13.7981","0.0003","44.3415","0.0011","90","","90","","90","","16933.9","0.8","90","0.1","90","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C53.2 H37.4 Br I6 N14.6 Pd Zn3 -","- C53.2 H37.4 Br I6 N14.6 Pd Zn3 -","- C425.6 H299.2 Br8 I48 N116.8 Pd8 Zn24 -","8","1","","Ikemoto, Koki; Inokuma, Yasuhide; Rissanen, Kari; Fujita, Makoto","X-ray Snapshot Observation of Palladium-Mediated Aromatic Bromination in a Porous Complex.","Journal of the American Chemical Society","2014","136","19","6892","6895","10.1021/ja502996h","","","0.71073","MoKα","","0.1865","0.1278","","","0.3569","0.387","","","","","","1.249","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121768","27.5504","0.0003","13.8353","0.00019","44.5398","0.0006","90","","90","","90","","16977.1","0.4","90","0.1","90","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52.15 H33.5 Br I6 N12.95 Zn3 -","- C52.15 H33.5 Br I6 N12.95 Zn3 -","- C417.2 H268 Br8 I48 N103.6 Zn24 -","8","1","","Ikemoto, Koki; Inokuma, Yasuhide; Rissanen, Kari; Fujita, Makoto","X-ray Snapshot Observation of Palladium-Mediated Aromatic Bromination in a Porous Complex.","Journal of the American Chemical Society","2014","136","19","6892","6895","10.1021/ja502996h","","","0.71073","MoKα","","0.0894","0.0825","","","0.2713","0.2791","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121769","27.774","0.003","13.8933","0.0016","44.585","0.005","90","","90","","90","","17204","3","90","2","90","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60.19 H44.78 I6 N15.59 O Pd S2 Zn3 -","- C60.1859 H44.7804 I6 N15.5938 O0.9999 Pd0.9999 S1.9998 Zn3 -","- C481.487 H358.243 I48 N124.75 O7.9992 Pd7.9992 S15.9984 Zn24 -","8","1","","Ikemoto, Koki; Inokuma, Yasuhide; Rissanen, Kari; Fujita, Makoto","X-ray Snapshot Observation of Palladium-Mediated Aromatic Bromination in a Porous Complex.","Journal of the American Chemical Society","2014","136","19","6892","6895","10.1021/ja502996h","","","0.71073","MoKα","","0.113","0.0754","","","0.1915","0.2142","","","","","","0.874","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121770","11.322","0.002","12.875","0.003","24.184","0.005","90","","103.12","0.03","90","","3433.3","1.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C25 H53 Cl F3 N2 O4 P2 Re S -","- C25 H53 Cl F3 N2 O4 P2 Re S -","- C100 H212 Cl4 F12 N8 O16 P8 Re4 S4 -","4","1","","Klopsch, Isabel; Finger, Markus; Würtele, Christian; Milde, Bastian; Werz, Daniel B.; Schneider, Sven","Dinitrogen splitting and functionalization in the coordination sphere of rhenium.","Journal of the American Chemical Society","2014","136","19","6881","6883","10.1021/ja502759d","","","0.56086","AgKα","","0.039","0.0236","","","0.0465","0.0532","","","","","","1.106","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121771","15.1843","0.0012","12.3918","0.0009","27.434","0.002","90","","90","","90","","5162","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H45 Cl2 N2 P2 Re -","- C20 H45 Cl2 N2 P2 Re -","- C160 H360 Cl16 N16 P16 Re8 -","8","1","","Klopsch, Isabel; Finger, Markus; Würtele, Christian; Milde, Bastian; Werz, Daniel B.; Schneider, Sven","Dinitrogen splitting and functionalization in the coordination sphere of rhenium.","Journal of the American Chemical Society","2014","136","19","6881","6883","10.1021/ja502759d","","","0.56086","AgKα","","0.0604","0.0329","","","0.0518","0.0593","","","","","","1.05","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121772","12.1991","0.0013","12.3901","0.0014","16.5297","0.0018","90","","90","","90","","2498.4","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H44 Cl2 N P2 Re -","- C20 H44 Cl2 N P2 Re -","- C80 H176 Cl8 N4 P8 Re4 -","4","1","","Klopsch, Isabel; Finger, Markus; Würtele, Christian; Milde, Bastian; Werz, Daniel B.; Schneider, Sven","Dinitrogen splitting and functionalization in the coordination sphere of rhenium.","Journal of the American Chemical Society","2014","136","19","6881","6883","10.1021/ja502759d","","","0.56086","AgKα","","0.0405","0.038","","","0.0935","0.0966","","","","","","1.137","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121773","8.9323","0.001","7.2047","0.0008","11.5363","0.0013","90","","98.516","0.004","90","","734.23","0.14","296","2","296","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C34 H36 O6 -","2","1","","Yu, Zhunzhun; Ma, Ben; Chen, Mingjin; Wu, Hai-Hong; Liu, Lu; Zhang, Junliang","Highly Site-Selective Direct C-H Bond Functionalization of Phenols with α-Aryl-α-diazoacetates and Diazooxindoles via Gold Catalysis.","Journal of the American Chemical Society","2014","136","19","6904","6907","10.1021/ja503163k","","","0.71073","MoKα","","0.0846","0.0466","","","0.1054","0.124","","","","","","1.01","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121774","13.7112","0.0014","7.8902","0.0008","14.7754","0.0014","90","","105.614","0.003","90","","1539.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","","Yu, Zhunzhun; Ma, Ben; Chen, Mingjin; Wu, Hai-Hong; Liu, Lu; Zhang, Junliang","Highly Site-Selective Direct C-H Bond Functionalization of Phenols with α-Aryl-α-diazoacetates and Diazooxindoles via Gold Catalysis.","Journal of the American Chemical Society","2014","136","19","6904","6907","10.1021/ja503163k","","","0.71073","MoKα","","0.0977","0.0508","","","0.1159","0.144","","","","","","1.02","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121775","40.77","0.002","8.0162","0.0005","12.5151","0.0009","90","","96.608","0.003","90","","4063","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H29 N O5 -","- C22 H29 N O5 -","- C176 H232 N8 O40 -","8","1","","Morcillo, Sara P.; Miguel, Delia; Resa, Sandra; Martín-Lasanta, Ana; Millán, Alba; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M; Mota, Antonio J.; Justicia, José; Cuerva, Juan M.","Ti(III)-Catalyzed Cyclizations of Ketoepoxypolyprenes: Control over the Number of Rings and Unexpected Stereoselectivities.","Journal of the American Chemical Society","2014","136","19","6943","6951","10.1021/ja411942h","","","1.54178","CuKα","","0.0896","0.058","","","0.1202","0.1312","","","","","","1.056","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121776","8.2456","0.0006","10.624","0.0007","19.2156","0.001","82.08","0.005","86.182","0.005","79.073","0.006","1635.61","0.19","150","2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H51 Ir O2 P2 Si -","- C30 H51 Ir O2 P2 Si -","- C60 H102 Ir2 O4 P4 Si2 -","2","1","","Metsänen, Toni T; Hrobárik, Peter; Klare, Hendrik F. T.; Kaupp, Martin; Oestreich, Martin","Insight into the Mechanism of Carbonyl Hydrosilylation Catalyzed by Brookhart's Cationic Iridium(III) Pincer Complex.","Journal of the American Chemical Society","2014","136","19","6912","6915","10.1021/ja503254f","","x-ray","1.54184","CuKα","","0.0503","0.0469","","","0.1135","0.1177","","","","","","1.054","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121777","8.2047","0.0004","11.0592","0.0005","18.8425","0.0009","88.45","0.004","78.995","0.004","68.363","0.004","1558.26","0.14","150","2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H55 Ir O2 P2 Si -","- C28 H55 Ir O2 P2 Si -","- C56 H110 Ir2 O4 P4 Si2 -","2","1","","Metsänen, Toni T; Hrobárik, Peter; Klare, Hendrik F. T.; Kaupp, Martin; Oestreich, Martin","Insight into the Mechanism of Carbonyl Hydrosilylation Catalyzed by Brookhart's Cationic Iridium(III) Pincer Complex.","Journal of the American Chemical Society","2014","136","19","6912","6915","10.1021/ja503254f","","x-ray","1.54184","CuKα","","0.0875","0.0838","","","0.2125","0.2148","","","","","","1.193","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121778","16.7516","0.0017","9.7376","0.0011","11.798","0.0012","90","","118.328","0.002","90","","1694","0.3","90","","90","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C33 H22 Cu2 F4 N2 O8 -","- C33 H22 Cu2 F4 N2 O8 -","- C66 H44 Cu4 F8 N4 O16 -","2","0.25","","Takasaki, Yuichi; Takamizawa, Satoshi","Gas permeation in a molecular crystal and space expansion.","Journal of the American Chemical Society","2014","136","19","6806","6809","10.1021/ja501045u","","","0.71073","MoKα","","0.061","0.0463","","","0.1318","0.1466","","","","","","1.123","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121779","10.4495","0.0017","12.662","0.002","17.918","0.003","84.349","0.002","79.418","0.002","65.712","0.002","2123.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H63 N3 O6 -","- C45 H63 N3 O6 -","- C90 H126 N6 O12 -","2","1","","Zhu, Kelong; Vukotic, V. Nicholas; O'Keefe, Christopher A; Schurko, Robert W.; Loeb, Stephen J.","Metal-Organic Frameworks with Mechanically Interlocked Pillars: Controlling Ring Dynamics in the Solid-State via a Reversible Phase Change.","Journal of the American Chemical Society","2014","136","20","7403","7409","10.1021/ja502238a","","","0.71073","MoKα","","0.1703","0.1049","","","0.2833","0.3297","","","","","","1.081","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121780","19.87","0.016","22.96","0.015","48.42","0.04","90","","96.63","0.03","90","","21942","3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C112 H170 N16 O17 Zn2 -","- C73 H79 N3 O14 Zn2 -","- C584 H632 N24 O112 Zn16 -","8","2","","Zhu, Kelong; Vukotic, V. Nicholas; O'Keefe, Christopher A; Schurko, Robert W.; Loeb, Stephen J.","Metal-Organic Frameworks with Mechanically Interlocked Pillars: Controlling Ring Dynamics in the Solid-State via a Reversible Phase Change.","Journal of the American Chemical Society","2014","136","20","7403","7409","10.1021/ja502238a","","","1.54178","CuKα","","0.1125","0.1038","","","0.2963","0.3056","","","","","","1.256","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121781","21.336","0.003","23.766","0.004","15.808","0.003","90","","101.568","0.002","90","","7853","2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C79 H93 N9 O16 Zn2 -","- C73 H79 N7 O14 Zn2 -","- C292 H316 N28 O56 Zn8 -","4","1","","Zhu, Kelong; Vukotic, V. Nicholas; O'Keefe, Christopher A; Schurko, Robert W.; Loeb, Stephen J.","Metal-Organic Frameworks with Mechanically Interlocked Pillars: Controlling Ring Dynamics in the Solid-State via a Reversible Phase Change.","Journal of the American Chemical Society","2014","136","20","7403","7409","10.1021/ja502238a","","","0.71073","MoKα","","0.1612","0.0971","","","0.215","0.2551","","","","","","1.002","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121782","29.335","0.006","29.335","0.006","41.358","0.01","90","","90","","90","","35590","13","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C360 H372 Co24 O126 S24 -","- C360 H328 Co24 O126 S24 -","- C720 H656 Co48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.1917","0.1391","","","0.347","0.3755","","","","","","1.121","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121783","29.2376","0.0018","29.2376","0.0018","42.213","0.005","90","","90","","90","","36085","5","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C432 H516 Ni24 O126 S24 -","- C432 H512 Ni24 O126 S24 -","- C864 H1024 Ni48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.1203","0.1074","","","0.3241","0.3423","","","","","","1.538","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121784","40.715","0.002","40.715","0.002","80.041","0.008","90","","90","","120","","114908","14","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C336 H324 Ni24 O126 S24 -","- C336 H312 Ni24 O126 S24 -","- C2016 H1872 Ni144 O756 S144 -","6","0.333333","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.2099","0.1564","","","0.4164","0.4916","","","","","","1.032","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121785","28.618","0.002","28.618","0.002","41.216","0.006","90","","90","","90","","33755","6","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C336 H324 Co24 O126 S24 -","- C336 H312 Co24 O126 S24 -","- C672 H624 Co48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.1709","0.1496","","","0.3957","0.431","","","","","","1.59","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121786","29.6397","0.0016","29.6397","0.0016","42.389","0.004","90","","90","","90","","37239","5","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C432 H516 Mg24 O126 S24 -","- C432 H504 Mg24 O126 S24 -","- C864 H1008 Mg48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.1425","0.1341","","","0.4214","0.4411","","","","","","1.095","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121787","29.335","0.005","29.335","0.005","41.486","0.002","90","","90","","90","","35700","9","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C360 H372 Ni24 O126 S24 -","- C360 H296 Ni24 O126 S24 -","- C720 H592 Ni48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.135","0.0957","","","0.2529","0.2774","","","","","","1.042","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121788","29.5252","0.0014","29.5252","0.0014","42.576","0.004","90","","90","","90","","37115","4","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C432 H516 Co24 O126 S24 -","- C432 H504 Co24 O126 S24 -","- C864 H1008 Co48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.1161","0.101","","","0.3149","0.3355","","","","","","1.236","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121789","10.3696","0.0006","15.7167","0.0007","23.6257","0.0011","90","","90","","90","","3850.4","0.3","193","2","193","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C46 H26 Br2 F6 N2 Ni -","- C46 H26 Br2 F6 N2 Ni -","- C184 H104 Br8 F24 N8 Ni4 -","4","0.5","","Vaidya, Tulaza; Klimovica, Kristine; LaPointe, Anne M.; Keresztes, Ivan; Lobkovsky, Emil B.; Daugulis, Olafs; Coates, Geoffrey W.","Secondary Alkene Insertion and Precision Chain-Walking: A New Route to Semicrystalline ""Polyethylene"" from α-Olefins by Combining Two Rare Catalytic Events.","Journal of the American Chemical Society","2014","136","20","7213","7216","10.1021/ja502130w","","","0.71073","MoKα","","0.0795","0.0625","","","0.1704","0.1835","","","","","","1.073","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121790","11.5011","0.0006","17.3566","0.0008","22.7205","0.001","86.209","0.002","85.802","0.002","85.61","0.002","4501.7","0.4","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H26 Br2 Cl2 F12 N2 Ni -","- C49 H26 Br2 Cl2 F12 N2 Ni -","- C196 H104 Br8 Cl8 F48 N8 Ni4 -","4","2","","Vaidya, Tulaza; Klimovica, Kristine; LaPointe, Anne M.; Keresztes, Ivan; Lobkovsky, Emil B.; Daugulis, Olafs; Coates, Geoffrey W.","Secondary Alkene Insertion and Precision Chain-Walking: A New Route to Semicrystalline ""Polyethylene"" from α-Olefins by Combining Two Rare Catalytic Events.","Journal of the American Chemical Society","2014","136","20","7213","7216","10.1021/ja502130w","","","0.71073","MoKα","","0.0872","0.0412","","","0.076","0.0889","","","","","","1.054","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121791","10.936","0.005","12.8","0.03","17.594","0.01","72.65","0.06","80.27","0.07","85.76","0.02","2316","6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H126 Cu4 F12 N16 Na2 O19 S4 -","- C68 H126 Cu4 F12 N16 Na2 O19 S4 -","- C68 H126 Cu4 F12 N16 Na2 O19 S4 -","1","0.5","","Dalle, Kristian E.; Gruene, Tim; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Weakly Coupled Biologically Relevant Cu(II)2(μ-η(1):η(1)-O2) cis-Peroxo Adduct that Binds Side-On to Additional Metal Ions.","Journal of the American Chemical Society","2014","136","20","7428","7434","10.1021/ja5025047","","","0.82657","synchrotron","","0.0969","0.0881","","","0.2509","0.2601","","","","","","0.991","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121792","10.9645","0.001","12.7788","0.0012","17.545","0.0014","72.769","0.007","80.175","0.007","84.956","0.007","2311.7","0.4","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H126 Cu4 F12 N16 Na2 O19 S4 -","- C68 H126 Cu4 F12 N16 Na2 O19 S4 -","- C68 H126 Cu4 F12 N16 Na2 O19 S4 -","1","0.5","","Dalle, Kristian E.; Gruene, Tim; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Weakly Coupled Biologically Relevant Cu(II)2(μ-η(1):η(1)-O2) cis-Peroxo Adduct that Binds Side-On to Additional Metal Ions.","Journal of the American Chemical Society","2014","136","20","7428","7434","10.1021/ja5025047","","","0.71073","MoKα","","0.1254","0.0773","","","0.1866","0.2096","","","","","","1.051","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121793","22.0888","0.0005","23.581","0.0005","40.2916","0.001","80.4182","0.0018","78.457","0.002","89.1904","0.0018","20271.6","0.8","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C333 H210.5 Au16 Cu32 F101.5 O P4 S34 -","- C332 H211.5 Au16 Cu32 F100.5 P4 S34 -","- C664 H423 Au32 Cu64 F201 P8 S68 -","2","1","","Yang, Huayan; Wang, Yu; Yan, Juanzhu; Chen, Xi; Zhang, Xin; Häkkinen, Hannu; Zheng, Nanfeng","Structural Evolution of Atomically Precise Thiolated Bimetallic [Au12+nCu32(SR)30+n](4-) (n = 0, 2, 4, 6) Nanoclusters.","Journal of the American Chemical Society","2014","136","20","7197","7200","10.1021/ja501811j","","","1.5418","CuKα","","0.1622","0.1197","","","0.3292","0.3694","","","","","","1.278","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121794","20.7601","0.0007","23.6955","0.0007","23.7758","0.0007","108.611","0.003","105.491","0.003","107.174","0.003","9710.3","0.7","100.01","0.1","173.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C290 H272 Au14 Cl4 Cu32 F96 N4 O6 S32 -","- C288 H272 Au14 Cu32 F96 N4 S32 -","- C288 H272 Au14 Cu32 F96 N4 S32 -","1","0.5","","Yang, Huayan; Wang, Yu; Yan, Juanzhu; Chen, Xi; Zhang, Xin; Häkkinen, Hannu; Zheng, Nanfeng","Structural Evolution of Atomically Precise Thiolated Bimetallic [Au12+nCu32(SR)30+n](4-) (n = 0, 2, 4, 6) Nanoclusters.","Journal of the American Chemical Society","2014","136","20","7197","7200","10.1021/ja501811j","","","1.5418","CuKα","","0.1044","0.0834","","","0.2483","0.2785","","","","","","1.094","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121795","21.8379","0.0008","21.0323","0.0011","43.031","0.002","90","","97.456","0.004","90","","19597.1","1.6","100","0.1","100","0.1","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C332 H314 Au18 Cl7 Cu32 F108 N4 S36 -","- C316 H286 Au18 Cu32 F108 N4 S36 -","- C632 H572 Au36 Cu64 F216 N8 S72 -","2","0.5","","Yang, Huayan; Wang, Yu; Yan, Juanzhu; Chen, Xi; Zhang, Xin; Häkkinen, Hannu; Zheng, Nanfeng","Structural Evolution of Atomically Precise Thiolated Bimetallic [Au12+nCu32(SR)30+n](4-) (n = 0, 2, 4, 6) Nanoclusters.","Journal of the American Chemical Society","2014","136","20","7197","7200","10.1021/ja501811j","","","1.5418","CuKα","","0.1109","0.0889","","","0.2447","0.2637","","","","","","1.071","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121796","18.0621","0.0008","19.5128","0.0009","20.8568","0.001","63.599","0.005","82.266","0.004","80.078","0.004","6471.7","0.6","173","0.1","173","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C238 H164 Au13 Cl4 Cu12 F60 O4 P4 S20 -","- C236.638 H156.85 Au13 Cu12 F61.034 P4 S20 -","- C236.638 H156.85 Au13 Cu12 F61.034 P4 S20 -","1","0.5","","Yang, Huayan; Wang, Yu; Yan, Juanzhu; Chen, Xi; Zhang, Xin; Häkkinen, Hannu; Zheng, Nanfeng","Structural Evolution of Atomically Precise Thiolated Bimetallic [Au12+nCu32(SR)30+n](4-) (n = 0, 2, 4, 6) Nanoclusters.","Journal of the American Chemical Society","2014","136","20","7197","7200","10.1021/ja501811j","","","1.5418","CuKα","","0.0579","0.0499","","","0.1485","0.156","","","","","","1.101","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121797","25.9452","0.001","23.5533","0.0006","30.3915","0.0008","90","","95.45","0.003","90","","18488.1","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C342 H284 Au12 Cu32 F90 P4 S30 -","- C306 H200 Au12 Cu32 F90 P4 S30 -","- C612 H400 Au24 Cu64 F180 P8 S60 -","2","0.5","","Yang, Huayan; Wang, Yu; Yan, Juanzhu; Chen, Xi; Zhang, Xin; Häkkinen, Hannu; Zheng, Nanfeng","Structural Evolution of Atomically Precise Thiolated Bimetallic [Au12+nCu32(SR)30+n](4-) (n = 0, 2, 4, 6) Nanoclusters.","Journal of the American Chemical Society","2014","136","20","7197","7200","10.1021/ja501811j","","","1.54184","CuKα","","0.1232","0.0956","","","0.2476","0.2857","","","","","","0.972","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121798","16.69","0.002","17.558","0.002","24.517","0.003","90","","90","","90","","7184.5","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[NMe_4]_2 [L_2 Cu_4 (μ_4-O)]","","","- C66 H74 Cu4 N16 O15 -","- C66 H66 Cu4 N16 O15 -","- C264 H264 Cu16 N64 O60 -","4","1","","Halvagar, Mohammad Reza; Solntsev, Pavlo V.; Lim, Hyeongtaek; Hedman, Britt; Hodgson, Keith O.; Solomon, Edward I.; Cramer, Christopher J.; Tolman, William B.","Hydroxo-Bridged Dicopper(II,III) and -(III,III) Complexes: Models for Putative Intermediates in Oxidation Catalysis.","Journal of the American Chemical Society","2014","136","20","7269","7272","10.1021/ja503629r","","","0.71073","MoKα","","0.1846","0.0917","","","0.2086","0.2587","","","","","","0.992","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121799","8.9723","0.0002","16.1009","0.0004","11.4418","0.0003","90","","105.978","0.002","90","","1589.05","0.07","123","2","123","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","[NMe_4] [L_2 Cu_2 (μ-OH)]","","","- C32.76 H27 Cu2 N8.38 O6.62 -","- C32.372 H27 Cu2 N8.186 O6.816 -","- C64.744 H54 Cu4 N16.372 O13.632 -","2","0.5","","Halvagar, Mohammad Reza; Solntsev, Pavlo V.; Lim, Hyeongtaek; Hedman, Britt; Hodgson, Keith O.; Solomon, Edward I.; Cramer, Christopher J.; Tolman, William B.","Hydroxo-Bridged Dicopper(II,III) and -(III,III) Complexes: Models for Putative Intermediates in Oxidation Catalysis.","Journal of the American Chemical Society","2014","136","20","7269","7272","10.1021/ja503629r","","","0.71073","MoKα","","0.0888","0.0701","","","0.195","0.2107","","","","","","1.082","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121800","14.5216","0.0007","14.5216","0.0007","15.9314","0.0011","90","","90","","90","","3359.6","0.3","123","2","123","2","","","","","","","","5","I -4 2 m","I -4 2","121","[NMe_4]_2 [L_2 Cu_4 (μ_4-O)]","","","- C52 H28 Cu4 N12 O9 -","- C52 H28 Cu4 N12 O9 -","- C104 H56 Cu8 N24 O18 -","2","0.125","","Halvagar, Mohammad Reza; Solntsev, Pavlo V.; Lim, Hyeongtaek; Hedman, Britt; Hodgson, Keith O.; Solomon, Edward I.; Cramer, Christopher J.; Tolman, William B.","Hydroxo-Bridged Dicopper(II,III) and -(III,III) Complexes: Models for Putative Intermediates in Oxidation Catalysis.","Journal of the American Chemical Society","2014","136","20","7269","7272","10.1021/ja503629r","","","1.54178","CuKα","","0.0427","0.0379","","","0.1052","0.1094","","","","","","1.095","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121810","20.562","0.004","12.0606","0.0002","24.4409","0.0017","90","","113.824","0.008","90","","5544.6","1.2","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H79 Cl N4 Pd2 -","- C58 H79 Cl N4 Pd2 -","- C232 H316 Cl4 N16 Pd8 -","4","1","","Hruszkewycz, Damian P.; Balcells, David; Guard, Louise M.; Hazari, Nilay; Tilset, Mats","Insight into the efficiency of cinnamyl-supported precatalysts for the suzuki-miyaura reaction: observation of pd(i) dimers with bridging allyl ligands during catalysis.","Journal of the American Chemical Society","2014","136","20","7300","7316","10.1021/ja412565c","","","1.54178","CuKα","","0.0349","0.0349","","","0.0821","0.0821","","","","","","1.207","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121811","12.1146","0.0002","24.5603","0.0004","20.2741","0.0014","90","","103.307","0.007","90","","5870.4","0.5","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H81 Cl N4 Pd2 -","- C63 H81 Cl N4 Pd2 -","- C252 H324 Cl4 N16 Pd8 -","4","1","","Hruszkewycz, Damian P.; Balcells, David; Guard, Louise M.; Hazari, Nilay; Tilset, Mats","Insight into the efficiency of cinnamyl-supported precatalysts for the suzuki-miyaura reaction: observation of pd(i) dimers with bridging allyl ligands during catalysis.","Journal of the American Chemical Society","2014","136","20","7300","7316","10.1021/ja412565c","","","1.54187","CuKα","","0.0677","0.0591","","","0.1542","0.1603","","","","","","1.081","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121812","8.218","0.0016","9.691","0.0019","18.377","0.004","101.24","0.03","92.31","0.03","110.51","0.03","1335.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 Ca Cl2 N2 O15 -","- C18 H30 Ca Cl2 N2 O15 -","- C36 H60 Ca2 Cl4 N4 O30 -","2","1","","Howe, Ethan N. W.; Bhadbhade, Mohan; Thordarson, Pall","Cooperativity and complexity in the binding of anions and cations to a tetratopic ion-pair host.","Journal of the American Chemical Society","2014","136","20","7505","7516","10.1021/ja503383e","","","0.71073","Synchrotron","","0.0914","0.0766","","","0.1918","0.2033","","","","","","1.031","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121813","14.429","0.003","28.69","0.006","8.52","0.0017","90","","90","","90","","3527","1.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36 H52 N4 O10 -","- C36 H52 N4 O10 -","- C144 H208 N16 O40 -","4","0.5","","Howe, Ethan N. W.; Bhadbhade, Mohan; Thordarson, Pall","Cooperativity and complexity in the binding of anions and cations to a tetratopic ion-pair host.","Journal of the American Chemical Society","2014","136","20","7505","7516","10.1021/ja503383e","","","0.71085","Synchrotron","","0.0551","0.0519","","","0.1323","0.1354","","","","","","1.064","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121814","25.2432","0.0006","25.2432","0.0006","11.6336","0.0003","90","","90","","120","","6420","0.3","100","0.2","100","0.2","","","","","","","","4","P -3","-P 3","147","","","","- C84 H54 O14 Zn4 -","- C84 H54 O13.9999 Zn4 -","- C168 H108 O27.9998 Zn8 -","2","0.333333","","Zhang, Mei; Feng, Guangxue; Song, Zhegang; Zhou, Yu-Peng; Chao, Hsiu-Yi; Yuan, Daqiang; Tan, Tristan T. Y.; Guo, Zhengang; Hu, Zhigang; Tang, Ben Zhong; Liu, Bin; Zhao, Dan","Two-dimensional metal-organic framework with wide channels and responsive turn-on fluorescence for the chemical sensing of volatile organic compounds.","Journal of the American Chemical Society","2014","136","20","7241","7244","10.1021/ja502643p","","","1.54184","CuKα","","0.0819","0.0723","","","0.1986","0.2077","","","","","","1.108","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121815","25.2435","0.0014","25.2435","0.0014","11.6675","0.0006","90","","90","","120","","6438.8","0.6","100","0.2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C84 H54 O13 Zn4 -","- C84 H54 O13 Zn4 -","- C168 H108 O26 Zn8 -","2","0.333333","","Zhang, Mei; Feng, Guangxue; Song, Zhegang; Zhou, Yu-Peng; Chao, Hsiu-Yi; Yuan, Daqiang; Tan, Tristan T. Y.; Guo, Zhengang; Hu, Zhigang; Tang, Ben Zhong; Liu, Bin; Zhao, Dan","Two-dimensional metal-organic framework with wide channels and responsive turn-on fluorescence for the chemical sensing of volatile organic compounds.","Journal of the American Chemical Society","2014","136","20","7241","7244","10.1021/ja502643p","","","1.54184","CuKα","","0.1327","0.0949","","","0.24","0.2752","","","","","","0.923","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121816","9.8296","0.0004","12.6283","0.0006","18.9578","0.0008","71.769","0.004","86.991","0.004","88.723","0.004","2232","0.18","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 O4 -","- C28 H20 O4 -","- C112 H80 O16 -","4","2","","Zhang, Mei; Feng, Guangxue; Song, Zhegang; Zhou, Yu-Peng; Chao, Hsiu-Yi; Yuan, Daqiang; Tan, Tristan T. Y.; Guo, Zhengang; Hu, Zhigang; Tang, Ben Zhong; Liu, Bin; Zhao, Dan","Two-dimensional metal-organic framework with wide channels and responsive turn-on fluorescence for the chemical sensing of volatile organic compounds.","Journal of the American Chemical Society","2014","136","20","7241","7244","10.1021/ja502643p","","","1.54184","CuKα","","0.0508","0.0397","","","0.1019","0.1081","","","","","","1.074","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4121817","11.7625","0.0003","12.8916","0.0003","18.7532","0.0004","97.595","0.002","106.386","0.001","95.691","0.002","2676.27","0.11","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H78 Si2 -","- C64 H78 Si2 -","- C128 H156 Si4 -","2","1","","Zhang, Lei; Fonari, Alexandr; Liu, Yao; Hoyt, Andra-Lisa M; Lee, Hyunbok; Granger, Devin; Parkin, Sean; Russell, Thomas P.; Anthony, John E.; Brédas, Jean-Luc; Coropceanu, Veaceslav; Briseno, Alejandro L.","Bistetracene: an air-stable, high-mobility organic semiconductor with extended conjugation.","Journal of the American Chemical Society","2014","136","26","9248","9251","10.1021/ja503643s","","","1.54178","CuKα","","0.0881","0.0521","","","0.1407","0.1608","","","","","","1.034","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121818","8.9841","0.0011","9.7368","0.0016","13.51","0.002","75.34","0.014","70.337","0.013","90.051","0.014","1071.8","0.3","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H58 Si2 -","- C54 H58 Si2 -","- C54 H58 Si2 -","1","0.5","","Zhang, Lei; Fonari, Alexandr; Liu, Yao; Hoyt, Andra-Lisa M; Lee, Hyunbok; Granger, Devin; Parkin, Sean; Russell, Thomas P.; Anthony, John E.; Brédas, Jean-Luc; Coropceanu, Veaceslav; Briseno, Alejandro L.","Bistetracene: an air-stable, high-mobility organic semiconductor with extended conjugation.","Journal of the American Chemical Society","2014","136","26","9248","9251","10.1021/ja503643s","","","1.54178","CuKα","","0.132","0.1053","","","0.2322","0.2496","","","","","","1.083","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121819","10.8998","0.0011","12.7903","0.0013","30.046","0.003","90","","94.529","0.005","90","","4175.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 Fe N O4 P2 S3 -","- C44 H44 Fe N O4 P2 S3 -","- C176 H176 Fe4 N4 O16 P8 S12 -","4","1","","Fitzpatrick, Jessica; Kalyvas, Harris; Filipovic, Milos R.; Ivanović-Burmazović, Ivana; MacDonald, John C.; Shearer, Jason; Kim, Eunsuk","Transformation of a Mononitrosyl Iron Complex to a [2Fe-2S] Cluster by a Cysteine Analogue.","Journal of the American Chemical Society","2014","136","20","7229","7232","10.1021/ja5024207","","","0.71073","MoKα","","0.081","0.0469","","","0.1116","0.1314","","","","","","1.075","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121820","8.0616","0.0006","10.096","0.0009","10.8105","0.001","112.019","0.009","99.514","0.007","101.435","0.007","771.2","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 B F2 O4 -","- C17 H15 B F2 O4 -","- C34 H30 B2 F4 O8 -","2","1","","Galer, Petra; Korošec, Romana C; Vidmar, Maja; Sket, Boris","Crystal Structures and Emission Properties of the BF2 Complex 1-Phenyl-3-(3,5-dimethoxyphenyl)-propane-1,3-dione: Multiple Chromisms, Aggregation- or Crystallization-Induced Emission, and the Self-Assembly Effect.","Journal of the American Chemical Society","2014","136","20","7383","7394","10.1021/ja501977a","","","0.71073","MoKα","","0.1911","0.0768","","","0.1482","0.1982","","","","","","1.022","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121821","7.4698","0.0002","7.484","0.0003","14.4041","0.0005","75.349","0.002","88.759","0.002","85.077","0.002","776.19","0.05","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 B F2 O4 -","- C17 H15 B F2 O4 -","- C34 H30 B2 F4 O8 -","2","1","","Galer, Petra; Korošec, Romana C; Vidmar, Maja; Sket, Boris","Crystal Structures and Emission Properties of the BF2 Complex 1-Phenyl-3-(3,5-dimethoxyphenyl)-propane-1,3-dione: Multiple Chromisms, Aggregation- or Crystallization-Induced Emission, and the Self-Assembly Effect.","Journal of the American Chemical Society","2014","136","20","7383","7394","10.1021/ja501977a","","","0.71073","MoKα","","0.076","0.0548","","","0.1441","0.1734","","","","","","1.119","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121822","14.763","0.005","14.763","0.005","14.763","0.005","90","0.005","90","0.005","90","0.005","3217.5","1.9","10","","10","","","","","","","","synthesis as described","2","P 21 3","P 2ac 2ab 3","198","","","","- Na7.5 Si34 -","- Na7.701 Si34 -","- Na30.804 Si136 -","4","0.333333","","Yamanaka, Shoji; Komatsu, Masaya; Tanaka, Masashi; Sawa, Hiroshi; Inumaru, Kei","High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na30.5Si136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages.","Journal of the American Chemical Society","2014","136","21","7717","7725","10.1021/ja502733e","","","0.71069","MoKα","","0.0391","0.0373","","","0.0813","0.0826","","","","","","1.087","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121823","14.7679","0.0003","14.7679","0.0003","14.7679","0.0003","90","","90","","90","","3220.74","0.11","90","","90","","","","","","","","synthesis as described","2","P 21 3","P 2ac 2ab 3","198","","","","- Na7.5 Si34 -","- Na7.57 Si34 -","- Na30.28 Si136 -","4","0.333333","","Yamanaka, Shoji; Komatsu, Masaya; Tanaka, Masashi; Sawa, Hiroshi; Inumaru, Kei","High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na30.5Si136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages.","Journal of the American Chemical Society","2014","136","21","7717","7725","10.1021/ja502733e","","x-ray","0.71069","MoKα","","0.0422","0.0345","","","0.0791","0.0873","","","","","","1.137","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121824","10.2004","0.0004","10.2004","0.0004","10.2004","0.0004","90","","90","","90","","1061.33","0.07","293","","293","","","","","","","","synthesis as described","2","P m -3 n","-P 4n 2 3","223","","","","- Na4 Si23 -","- Na4 Si23 -","- Na8 Si46 -","2","0.0416667","","Yamanaka, Shoji; Komatsu, Masaya; Tanaka, Masashi; Sawa, Hiroshi; Inumaru, Kei","High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na30.5Si136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages.","Journal of the American Chemical Society","2014","136","21","7717","7725","10.1021/ja502733e","","x-ray","0.71069","MoKα","","0.0316","0.0282","","","0.0755","0.0781","","","","","","1.053","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121825","14.6469","0.0007","14.6469","0.0007","14.6469","0.0007","90","","90","","90","","3142.2","0.3","293","","293","","","","","","","","synthesis as described","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Na1.4 Si34 -","- Na1.636 Si34 -","- Na6.544 Si136 -","4","0.0208333","","Yamanaka, Shoji; Komatsu, Masaya; Tanaka, Masashi; Sawa, Hiroshi; Inumaru, Kei","High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na30.5Si136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages.","Journal of the American Chemical Society","2014","136","21","7717","7725","10.1021/ja502733e","","x-ray","0.71069","MoKα","","0.0214","0.0208","","","0.0546","0.0549","","","","","","1.241","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121826","14.7956","0.0012","14.7956","0.0012","14.7956","0.0012","90","","90","","90","","3238.9","0.5","293","","293","","","","","","","","synthesis as described","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Na7.5 Si34 -","- Na7.416 Si34 -","- Na29.664 Si136 -","4","0.0208333","","Yamanaka, Shoji; Komatsu, Masaya; Tanaka, Masashi; Sawa, Hiroshi; Inumaru, Kei","High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na30.5Si136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages.","Journal of the American Chemical Society","2014","136","21","7717","7725","10.1021/ja502733e","","x-ray","0.71069","MoKα","","0.0132","0.0132","","","0.0374","0.0374","","","","","","1.208","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121827","14.756","0.001","14.756","0.001","14.756","0.001","90","","90","","90","","3213","0.4","293","","293","","","","","","","","synthesis as described","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Na6.13 Si34 -","- Na6.124 Si34 -","- Na24.496 Si136 -","4","0.0208333","","Yamanaka, Shoji; Komatsu, Masaya; Tanaka, Masashi; Sawa, Hiroshi; Inumaru, Kei","High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na30.5Si136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages.","Journal of the American Chemical Society","2014","136","21","7717","7725","10.1021/ja502733e","","x-ray","0.71069","MoKα","","0.0419","0.0418","","","0.1013","0.1015","","","","","","1.263","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121828","11.5478","0.0004","8.2653","0.0003","19.8451","0.0007","90","","96.492","0.001","90","","1881.99","0.12","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","1","","Hettiarachchi, Suraj U.; Prasai, Bijeta; McCarley, Robin L.","Detection and cellular imaging of human cancer enzyme using a turn-on, wavelength-shiftable, self-immolative profluorophore.","Journal of the American Chemical Society","2014","136","21","7575","7578","10.1021/ja5030707","","","1.54178","CuKα","","0.0379","0.0361","","","0.0974","0.0993","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121829","7.606","0.007","16.812","0.014","8.963","0.007","90","","104.019","0.004","90","","1112","1.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(NH4)2{HOOC(CH2)4COOH}[Zn2(C2O4)3](H2O)2","","","- C12 H22 N2 O18 Zn2 -","- C12 N2 O18 Zn2 -","- C24 N4 O36 Zn4 -","2","0.5","","Sadakiyo, Masaaki; Yamada, Teppei; Honda, Kyohei; Matsui, Hiroshi; Kitagawa, Hiroshi","Control of crystalline proton-conducting pathways by water-induced transformations of hydrogen-bonding networks in a metal-organic framework.","Journal of the American Chemical Society","2014","136","21","7701","7707","10.1021/ja5022014","","","0.7107","MoKα","","0.0724","0.058","","","0.167","0.202","","","","","","1.257","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121830","7.7002","0.0007","16.4928","0.001","9.1611","0.0008","90","","108.314","0.001","90","","1104.51","0.15","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(NH4)2{HOOC(CH2)4COOH}[Zn2(C2O4)3]","","","- C12 H18 N2 O16 Zn2 -","- C12 N2 O16 Zn2 -","- C24 N4 O32 Zn4 -","2","0.5","","Sadakiyo, Masaaki; Yamada, Teppei; Honda, Kyohei; Matsui, Hiroshi; Kitagawa, Hiroshi","Control of crystalline proton-conducting pathways by water-induced transformations of hydrogen-bonding networks in a metal-organic framework.","Journal of the American Chemical Society","2014","136","21","7701","7707","10.1021/ja5022014","","","0.7107","MoKα","","0.0658","0.0523","","","0.173","0.2038","","","","","","1.202","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121831","18.864","0.003","17.514","0.003","20.244","0.003","90","","99.656","0.002","90","","6593.5","1.8","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","4(Sc2@C66)/1.42(C8H10)/1.00(CS2)/0.58(C6H14)","","","- C279.84 H22.32 S2 Sc8 -","- C279.84 H22.32 S2 Sc8 -","- C559.68 H44.64 S4 Sc16 -","2","1","","Yamada, Michio; Kurihara, Hiroki; Suzuki, Mitsuaki; Guo, Jing Dong; Waelchli, Markus; Olmstead, Marilyn M.; Balch, Alan L.; Nagase, Shigeru; Maeda, Yutaka; Hasegawa, Tadashi; Lu, Xing; Akasaka, Takeshi","Sc2@C66 Revisited: An Endohedral Fullerene with Scandium Ions Nestled within Two Unsaturated Linear Triquinanes.","Journal of the American Chemical Society","2014","136","21","7611","7614","10.1021/ja5035649","","","0.71073","MoKα","","0.0687","0.0622","","","0.1562","0.1624","","","","","","1.021","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121832","7.2753","0.0001","7.7473","0.0001","22.6981","0.0004","90","","94.037","0.001","90","","1276.18","0.03","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H27 Br O4 -","- C30 H27 Br O4 -","- C60 H54 Br2 O8 -","2","1","","Masutomi, Koji; Noguchi, Keiichi; Tanaka, Ken","Enantioselective Cycloisomerization of 1,6-Enynes to Bicyclo[3.1.0]hexanes Catalyzed by Rhodium and Benzoic Acid.","Journal of the American Chemical Society","2014","136","21","7627","7630","10.1021/ja504048u","","","1.54187","CuKα","","0.0309","0.0297","","","0.075","0.0772","","","","","","1.042","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121833","12.5029","0.0004","15.7866","0.0005","18.7568","0.0006","76.828","0.002","84.688","0.002","73.539","0.002","3455.5","0.2","100","2","100.1","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H74 Fe N6 O7 P3 -","- C78 H64 Fe N6 O7 P3 -","- C156 H128 Fe2 N12 O14 P6 -","2","1","","Graham, Michael J.; Zadrozny, Joseph M.; Shiddiq, Muhandis; Anderson, John S.; Fataftah, Majed S.; Hill, Stephen; Freedman, Danna E.","Influence of electronic spin and spin-orbit coupling on decoherence in mononuclear transition metal complexes.","Journal of the American Chemical Society","2014","136","21","7623","7626","10.1021/ja5037397","","","0.71073","MoKα","","0.0656","0.0479","","","0.1107","0.1205","","","","","","1.02","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121834","24.7221","0.0009","15.0978","0.0006","25.3767","0.0013","90","","114.465","0.001","90","","8621.4","0.6","100","2","100.09","","","","","","","","","6","C 1 c 1","C -2yc","9","","tris(tetraphenylphosphonium) hexacyanoruthenate(III)","","- C84 H68.68 Cl15.32 N6 P3 Ru -","- C84 H67 Cl15.322 N6 P3 Ru -","- C336 H268 Cl61.288 N24 P12 Ru4 -","4","1","","Graham, Michael J.; Zadrozny, Joseph M.; Shiddiq, Muhandis; Anderson, John S.; Fataftah, Majed S.; Hill, Stephen; Freedman, Danna E.","Influence of electronic spin and spin-orbit coupling on decoherence in mononuclear transition metal complexes.","Journal of the American Chemical Society","2014","136","21","7623","7626","10.1021/ja5037397","","","0.71073","MoKα","","0.046","0.0403","","","0.0947","0.0985","","","","","","1.027","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121835","9.6496","0.0004","15.8469","0.0007","17.6621","0.0007","90","","101.402","0.001","90","","2647.52","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Au F5 I P -","- C25 H36 Au F5 I P -","- C100 H144 Au4 F20 I4 P4 -","4","1","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.0177","0.0175","","","0.0424","0.0425","","","","","","1.172","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121836","18.0923","0.0009","14.9606","0.0007","20.1354","0.0011","90","","107.34","0.002","90","","5202.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Au F3 I P -","- C25 H38 Au F3 I P -","- C200 H304 Au8 F24 I8 P8 -","8","2","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.0236","0.0194","","","0.0377","0.0388","","","","","","1.02","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121837","10.2268","0.0005","14.9875","0.0008","18.2383","0.0009","90","","90","","90","","2795.5","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 Au Cl4 F P -","- C25 H39 Au Cl4 F P -","- C100 H156 Au4 Cl16 F4 P4 -","4","1","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.022","0.0208","","","0.0447","0.0454","","","","","","1.066","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121838","11.3296","0.0018","16.648","0.003","14.015","0.002","90","","92.676","0.007","90","","2640.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Au F3 I P -","- C26 H22 Au F3 I P -","- C104 H88 Au4 F12 I4 P4 -","4","1","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.021","0.0189","","","0.0454","0.0465","","","","","","1.063","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121839","10.0238","0.0006","11.7238","0.0007","12.1838","0.0008","90","","111.701","0.002","90","","1330.33","0.14","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H21 Au Cl2 F4 I P -","- C26 H21 Au Cl2 F4 I P -","- C52 H42 Au2 Cl4 F8 I2 P2 -","2","1","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.0135","0.0134","","","0.032","0.0321","","","","","","1.087","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121840","11.5448","0.0004","18.1771","0.0006","14.4575","0.0005","90","","92.93","0.001","90","","3029.95","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 Au Cl2 F4 I P -","- C26 H39 Au Cl2 F4 I P -","- C104 H156 Au4 Cl8 F16 I4 P4 -","4","1","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.0232","0.0216","","","0.0506","0.0514","","","","","","1.036","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121841","11.4612","0.0006","14.5201","0.0008","18.0799","0.001","83.48","0.001","76.161","0.001","71.195","0.001","2763.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H40 Au F3 I P -","- C26 H40 Au F3 I P -","- C104 H160 Au4 F12 I4 P4 -","4","2","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.0175","0.0164","","","0.0394","0.0402","","","","","","1.067","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4121842","9.261","0.002","10.71","0.002","12.461","0.003","92.783","0.004","98.275","0.004","105.007","0.004","1176.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H34 B10 Si -","- C19 H34 B10 Si -","- C38 H68 B20 Si2 -","2","1","","Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei","Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics.","Journal of the American Chemical Society","2014","136","21","7599","7602","10.1021/ja503489b","","","0.71073","MoKα","","0.1133","0.0831","","","0.2195","0.2453","","","","","","1.037","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121843","8.8283","0.0016","11.613","0.002","13.229","0.002","65.024","0.003","82.275","0.003","77.608","0.003","1199.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H33 B10 F Si -","- C19 H33 B10 F Si -","- C38 H66 B20 F2 Si2 -","2","1","","Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei","Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics.","Journal of the American Chemical Society","2014","136","21","7599","7602","10.1021/ja503489b","","","0.71073","MoKα","","0.1268","0.0838","","","0.2058","0.2337","","","","","","1.008","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121844","9.713","0.003","11.46","0.004","21.611","0.007","90","","90","","90","","2405.5","1.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H36 B10 O Si -","- C20 H36 B10 O Si -","- C80 H144 B40 O4 Si4 -","4","1","","Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei","Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics.","Journal of the American Chemical Society","2014","136","21","7599","7602","10.1021/ja503489b","","","0.71073","MoKα","","0.2309","0.1257","","","0.2433","0.29","","","","","","1.058","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121845","9.6641","0.0008","11.7306","0.0009","21.7302","0.0018","90","","90","","90","","2463.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H36 B10 O Si -","- C20 H36 B10 O Si -","- C80 H144 B40 O4 Si4 -","4","1","","Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei","Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics.","Journal of the American Chemical Society","2014","136","21","7599","7602","10.1021/ja503489b","","","0.71073","MoKα","","0.077","0.0711","","","0.1834","0.1899","","","","","","1.044","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121846","21.774","0.002","7.5041","0.0008","25.787","0.003","90","","98.332","0.002","90","","4169","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H26 B10 Si -","- C15 H26 B10 Si -","- C120 H208 B80 Si8 -","8","1","","Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei","Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics.","Journal of the American Chemical Society","2014","136","21","7599","7602","10.1021/ja503489b","","","0.71073","MoKα","","0.1085","0.0731","","","0.1968","0.2266","","","","","","1.063","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121847","24.5147","0.0017","7.0276","0.0005","17.2539","0.0014","90","","110.603","0.005","90","","2782.4","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 B10 -","- C10 H16 B10 -","- C80 H128 B80 -","8","2","","Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei","Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics.","Journal of the American Chemical Society","2014","136","21","7599","7602","10.1021/ja503489b","","","0.71073","MoKα","","0.1326","0.0915","","","0.2182","0.2663","","","","","","0.991","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121848","7.0536","0.0003","16.9061","0.0006","30.9575","0.0012","90","","90","","90","","3691.6","0.2","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H54 N2 O2 -","- C42 H54 N2 O2 -","- C168 H216 N8 O8 -","4","1","","Xu, Jin-Biao; Zhang, Hua; Gan, Li-She; Han, Ying-Shan; Wainberg, Mark A.; Yue, Jian-Min","Logeracemin A, an Anti-HIV Daphniphyllum Alkaloid Dimer with a New Carbon Skeleton from Daphniphyllum longeracemosum.","Journal of the American Chemical Society","2014","136","21","7631","7633","10.1021/ja503995b","","","1.54178","CuKα","","0.0683","0.0597","","","0.1592","0.1654","","","","","","1.039","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121849","9.1758","0.0004","9.4495","0.0005","9.8699","0.0005","92.536","0.003","92.369","0.003","96.834","0.003","847.94","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","LMINC149","","","- C23 H17 Cl O -","- C23 H17 Cl O -","- C46 H34 Cl2 O2 -","2","1","","Seoane, Andrés; Casanova, Noelia; Quiñones, Noelia; Mascareñas, José L; Gulías, Moisés","Rhodium(III)-Catalyzed Dearomatizing (3 + 2) Annulation of 2-Alkenylphenols and Alkynes.","Journal of the American Chemical Society","2014","136","21","7607","7610","10.1021/ja5034952","","x-ray","0.71073","MoKα","","0.0731","0.0478","","","0.1133","0.1233","","","","","","1.065","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121850","8.9445","0.0004","9.4308","0.0004","9.857","0.0004","91.995","0.002","91.74","0.002","101.456","0.002","813.83","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","lm1ac407f4","","","- C23 H18 O -","- C23 H18 O -","- C46 H36 O2 -","2","1","","Seoane, Andrés; Casanova, Noelia; Quiñones, Noelia; Mascareñas, José L; Gulías, Moisés","Rhodium(III)-Catalyzed Dearomatizing (3 + 2) Annulation of 2-Alkenylphenols and Alkynes.","Journal of the American Chemical Society","2014","136","21","7607","7610","10.1021/ja5034952","","x-ray","0.71073","MoKα","","0.05","0.0416","","","0.119","0.1253","","","","","","1.054","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121851","10.3833","0.0011","7.9614","0.0008","11.2213","0.0012","90","","106.41","0.004","90","","889.83","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","141F2","","","- C23 H17 Br O -","- C23 H17 Br O -","- C46 H34 Br2 O2 -","2","1","","Seoane, Andrés; Casanova, Noelia; Quiñones, Noelia; Mascareñas, José L; Gulías, Moisés","Rhodium(III)-Catalyzed Dearomatizing (3 + 2) Annulation of 2-Alkenylphenols and Alkynes.","Journal of the American Chemical Society","2014","136","21","7607","7610","10.1021/ja5034952","","x-ray","0.71073","MoKα","","0.0586","0.0394","","","0.0694","0.0744","","","","","","1.048","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121852","8.5521","0.0002","8.5649","0.0003","15.8893","0.0005","90","","103.684","0.0014","90","","1130.82","0.06","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H20 F4 N2 O2 -","- C26 H20 F4 N2 O2 -","- C52 H40 F8 N4 O4 -","2","1","","Xiao, Kai-Jiong; Lin, David W.; Miura, Motofumi; Zhu, Ru-Yi; Gong, Wei; Wasa, Masayuki; Yu, Jin-Quan","Palladium(II)-Catalyzed Enantioselective C(sp(3))-H Activation Using a Chiral Hydroxamic Acid Ligand.","Journal of the American Chemical Society","2014","136","22","8138","","10.1021/ja504196j","","x-ray","1.54178","CuKα","","0.0265","0.0253","","","0.0637","0.0645","","","","","","1.019","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121853","21.125","0.003","8.114","0.0012","10.7158","0.0016","90","","90","","90","","1836.8","0.5","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H22 N3 O -","- C22 H22 N3 O -","- C88 H88 N12 O4 -","4","1","","Li, Liangchun; Matsuda, Ryotaro; Tanaka, Iku; Sato, Hiroshi; Kanoo, Prakash; Jeon, Hyung Joon; Foo, Maw Lin; Wakamiya, Atsushi; Murata, Yasujiro; Kitagawa, Susumu","A crystalline porous coordination polymer decorated with nitroxyl radicals catalyzes aerobic oxidation of alcohols.","Journal of the American Chemical Society","2014","136","21","7543","7546","10.1021/ja5019095","","","0.71073","MoKα","","","0.0784","","","","0.1751","","","","","","1.149","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121854","21.682","0.011","21.682","0.011","15.696","0.008","90","","90","","90","","7379","6","100","","100","2","","","","","","","","7","I 4 c m","I 4 -2c","108","FRPCP","","","- C44 H44 Cu F6 N6 O6 Si -","- C44 H44 Cu F6 N6 O6 Si -","- C176 H176 Cu4 F24 N24 O24 Si4 -","4","0.25","","Li, Liangchun; Matsuda, Ryotaro; Tanaka, Iku; Sato, Hiroshi; Kanoo, Prakash; Jeon, Hyung Joon; Foo, Maw Lin; Wakamiya, Atsushi; Murata, Yasujiro; Kitagawa, Susumu","A crystalline porous coordination polymer decorated with nitroxyl radicals catalyzes aerobic oxidation of alcohols.","Journal of the American Chemical Society","2014","136","21","7543","7546","10.1021/ja5019095","","","0.71073","MoKα","","0.1333","0.1145","","","0.2258","0.2378","","","","","","1.067","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121855","17.1764","0.0004","20.7259","0.0006","23.1192","0.0005","67.465","0.002","76.759","0.002","73.217","0.002","7212.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- Ge6 H186 K22 Na10 O337 W56 Zr24 -","- Ge6 K22 Na10 O298 W56 Zr24 -","- Ge6 K22 Na10 O298 W56 Zr24 -","1","0.5","","Huang, Ling; Wang, Sa-Sa; Zhao, Jun-Wei; Cheng, Lin; Yang, Guo-Yu","Synergistic Combination of Multi-Zr(IV) Cations and Lacunary Keggin Germanotungstates Leading to a Gigantic Zr24-Cluster-Substituted Polyoxometalate.","Journal of the American Chemical Society","2014","136","21","7637","7642","10.1021/ja413134w","","","0.71073","MoKα","","0.0635","0.0498","","","0.1222","0.1311","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121856","26.7977","0.0013","26.7977","0.0013","26.7977","0.0013","90","","90","","90","","19243.9","1.6","143","1","143","1","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C75 H78 La N9 O6 -","- C75 H78 La N9 O6 -","- C600 H624 La8 N72 O48 -","8","0.333333","","Robinson, Jerome R.; Fan, Xinyuan; Yadav, Jagjit; Carroll, Patrick J.; Wooten, Alfred J.; Pericàs, Miquel A; Schelter, Eric J.; Walsh, Patrick J.","Air- and Water-Tolerant Rare Earth Guanidinium BINOLate Complexes as Practical Precatalysts in Multifunctional Asymmetric Catalysis.","Journal of the American Chemical Society","2014","136","22","8034","","10.1021/ja502568g","","","0.71073","MoKα","","0.0294","0.027","","","0.072","0.073","","","","","","1.038","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121857","23.8149","0.0017","36.254","0.003","36.328","0.003","90","","90","","90","","31365","4","143","1","143","1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C77 H82 Eu N9 O6.5 -","- C77 H82 Eu N9 O6.5 -","- C1232 H1312 Eu16 N144 O104 -","16","2","","Robinson, Jerome R.; Fan, Xinyuan; Yadav, Jagjit; Carroll, Patrick J.; Wooten, Alfred J.; Pericàs, Miquel A; Schelter, Eric J.; Walsh, Patrick J.","Air- and Water-Tolerant Rare Earth Guanidinium BINOLate Complexes as Practical Precatalysts in Multifunctional Asymmetric Catalysis.","Journal of the American Chemical Society","2014","136","22","8034","","10.1021/ja502568g","","","0.71073","MoKα","","0.0636","0.0527","","","0.1396","0.1451","","","","","","1.031","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121858","26.5809","0.0008","26.5809","0.0008","26.5809","0.0008","90","","90","","90","","18780.6","1","143","1","143","1","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C75 H78 N9 O6 Y -","- C75 H78 N9 O6 Y -","- C600 H624 N72 O48 Y8 -","8","0.333333","","Robinson, Jerome R.; Fan, Xinyuan; Yadav, Jagjit; Carroll, Patrick J.; Wooten, Alfred J.; Pericàs, Miquel A; Schelter, Eric J.; Walsh, Patrick J.","Air- and Water-Tolerant Rare Earth Guanidinium BINOLate Complexes as Practical Precatalysts in Multifunctional Asymmetric Catalysis.","Journal of the American Chemical Society","2014","136","22","8034","","10.1021/ja502568g","","","0.71073","MoKα","","0.052","0.0479","","","0.1349","0.1381","","","","","","1.051","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121859","26.5542","0.001","26.5542","0.001","26.5542","0.001","90","","90","","90","","18724","1.2","100","1","100","1","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C78 H84 Cl6 N9 O6 Yb -","- C78 H84 Cl6 N9 O6 Yb -","- C624 H672 Cl48 N72 O48 Yb8 -","8","0.333333","","Robinson, Jerome R.; Fan, Xinyuan; Yadav, Jagjit; Carroll, Patrick J.; Wooten, Alfred J.; Pericàs, Miquel A; Schelter, Eric J.; Walsh, Patrick J.","Air- and Water-Tolerant Rare Earth Guanidinium BINOLate Complexes as Practical Precatalysts in Multifunctional Asymmetric Catalysis.","Journal of the American Chemical Society","2014","136","22","8034","","10.1021/ja502568g","","","0.71073","MoKα","","0.0455","0.0429","","","0.121","0.1249","","","","","","0.792","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121860","12.0552","0.0001","12.9575","0.0002","15.4825","0.0002","88.091","0.001","80.782","0.001","72.288","0.001","2273.75","0.05","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H43 Cl5 N4 O2 P2 Pt -","- C46 H39 Cl4.9996 N4 O2 P2 Pt -","- C92 H78 Cl9.9992 N8 O4 P4 Pt2 -","2","1","","Brackemeyer, Dirk; Hervé, Alexandre; Schulte To Brinke, Christian; Jahnke, Mareike C.; Hahn, F. Ekkehardt","A Versatile Methodology for the Regioselective C(8)-Metalation of Purine Bases.","Journal of the American Chemical Society","2014","136","22","7841","","10.1021/ja5030904","","","0.71073","MoKα","","0.0359","0.0297","","","0.0708","0.0735","","","","","","1.024","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121861","14.2612","0.0006","10.4367","0.0005","28.5791","0.0013","90","","93.188","0.001","90","","4247.1","0.3","153","2","153","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C44 H41 B Cl F4 N4 O2.5 P2 Pt -","- C44 H40 B Cl F4 N4 O2.5 P2 Pt -","- C176 H160 B4 Cl4 F16 N16 O10 P8 Pt4 -","4","1","","Brackemeyer, Dirk; Hervé, Alexandre; Schulte To Brinke, Christian; Jahnke, Mareike C.; Hahn, F. Ekkehardt","A Versatile Methodology for the Regioselective C(8)-Metalation of Purine Bases.","Journal of the American Chemical Society","2014","136","22","7841","","10.1021/ja5030904","","","0.71073","MoKα","","0.0434","0.0298","","","0.0646","0.0689","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121862","20.0652","0.0008","11.9643","0.0005","21.7399","0.0009","90","","113.106","0.002","90","","4800.3","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 Br N5 P2 Pt -","- C54 H48 Br N5 P2 Pt -","- C216 H192 Br4 N20 P8 Pt4 -","4","1","","Brackemeyer, Dirk; Hervé, Alexandre; Schulte To Brinke, Christian; Jahnke, Mareike C.; Hahn, F. Ekkehardt","A Versatile Methodology for the Regioselective C(8)-Metalation of Purine Bases.","Journal of the American Chemical Society","2014","136","22","7841","","10.1021/ja5030904","","","0.71073","MoKα","","0.0314","0.0268","","","0.0729","0.0753","","","","","","1.012","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121863","10.4325","0.0003","20.1777","0.0007","20.2332","0.0006","89.468","0.002","85.019","0.002","85.419","0.002","4229.5","0.2","153","2","153","2","","","","","","","","9","P -1","-P 1","2","","","","- C42.5 H38 B Br Cl F4 N5 P2 Pt -","- C42.5 H37 B Br Cl F4 N5 P2 Pt -","- C170 H148 B4 Br4 Cl4 F16 N20 P8 Pt4 -","4","2","","Brackemeyer, Dirk; Hervé, Alexandre; Schulte To Brinke, Christian; Jahnke, Mareike C.; Hahn, F. Ekkehardt","A Versatile Methodology for the Regioselective C(8)-Metalation of Purine Bases.","Journal of the American Chemical Society","2014","136","22","7841","","10.1021/ja5030904","","","0.71073","MoKα","","0.0807","0.0483","","","0.1101","0.1218","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121864","12.5506","0.0003","12.9933","0.0003","16.7384","0.0004","107.063","0.0013","98.5557","0.0014","112.121","0.0013","2311.45","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H64 Gd2 K2 O4 -","- C48 H64 Gd2 K2 O4 -","- C96 H128 Gd4 K4 O8 -","2","1","","Le Roy, Jennifer J.; Ungur, Liviu; Korobkov, Ilia; Chibotaru, Liviu F.; Murugesu, Muralee","Coupling Strategies to Enhance Single-Molecule Magnet Properties of Erbium-Cyclooctatetraenyl Complexes.","Journal of the American Chemical Society","2014","136","22","8003","","10.1021/ja5022552","","","0.71073","MoKα","","0.0723","0.0409","","","0.0826","0.0948","","","","","","1.034","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121865","16.862","0.0004","16.862","0.0004","20.2149","0.0005","90","","90","","90","","5747.6","0.2","200","2","200","2","","","","","","","","4","I -4","I -4","82","","","","- C21 H36 Er Si3 -","- C21 H36 Er Si3 -","- C168 H288 Er8 Si24 -","8","1","","Le Roy, Jennifer J.; Ungur, Liviu; Korobkov, Ilia; Chibotaru, Liviu F.; Murugesu, Muralee","Coupling Strategies to Enhance Single-Molecule Magnet Properties of Erbium-Cyclooctatetraenyl Complexes.","Journal of the American Chemical Society","2014","136","22","8003","","10.1021/ja5022552","","","0.71073","MoKα","","0.0346","0.0277","","","0.063","0.0658","","","","","","1.012","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121866","12.4865","0.001","12.8999","0.001","16.7853","0.0015","107.25","0.002","98.705","0.002","111.302","0.002","2301.4","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H64 Er2 K2 O4 -","- C48 H64 Er2 K2 O4 -","- C96 H128 Er4 K4 O8 -","2","1","","Le Roy, Jennifer J.; Ungur, Liviu; Korobkov, Ilia; Chibotaru, Liviu F.; Murugesu, Muralee","Coupling Strategies to Enhance Single-Molecule Magnet Properties of Erbium-Cyclooctatetraenyl Complexes.","Journal of the American Chemical Society","2014","136","22","8003","","10.1021/ja5022552","","","0.71073","MoKα","","0.1665","0.0837","","","0.1559","0.1864","","","","","","1.046","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121867","8.5164","0.0003","11.9772","0.0004","9.0562","0.0003","90","","90","","90","","923.76","0.05","293","0.14","293","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0264","0.021","","","0.0549","0.0586","","","","","","1.057","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121868","8.761","0.0003","12.3507","0.0004","8.8118","0.0003","90","","90","","90","","953.48","0.06","413","0.14","413","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H9 Mn N O6 -","- C24 H36 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.1043","0.0693","","","0.2004","0.2363","","","","","","1.131","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121869","8.5303","0.0003","11.9918","0.0004","9.0531","0.0003","90","","90","","90","","926.07","0.05","333","0.14","333","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0285","0.0224","","","0.0572","0.0606","","","","","","1.075","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121870","8.5389","0.0003","11.9989","0.0004","9.0517","0.0003","90","","90","","90","","927.41","0.05","353","0.14","353","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0287","0.0219","","","0.0544","0.0599","","","","","","1.08","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121871","8.5471","0.0003","12.0046","0.0004","9.0496","0.0003","90","","90","","90","","928.53","0.05","373","0.14","373","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0299","0.0227","","","0.0595","0.0656","","","","","","1.043","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121872","8.711","0.0003","12.3162","0.0004","8.8734","0.0003","90","","90","","90","","952","0.06","333","0.14","333","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H11 Mn N O6 -","- C24 H44 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0639","0.0423","","","0.1154","0.1299","","","","","","1.159","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121873","8.522","0.0003","11.9877","0.0004","9.054","0.0003","90","","90","","90","","924.95","0.05","313","0.14","313","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.028","0.0228","","","0.0576","0.0615","","","","","","1.063","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121874","8.5611","0.0003","12.0204","0.0004","9.0426","0.0003","90","","90","","90","","930.55","0.05","413","0.14","413","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0321","0.0245","","","0.0645","0.0702","","","","","","1.088","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121875","8.5538","0.0003","12.0096","0.0004","9.0457","0.0003","90","","90","","90","","929.24","0.05","393","0.14","393","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0313","0.0237","","","0.0607","0.0663","","","","","","1.053","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121876","8.7233","0.0003","12.3247","0.0004","8.8668","0.0003","90","","90","","90","","953.29","0.06","354","9","354","9","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H11 Mn N O6 -","- C24 H44 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0683","0.0445","","","0.1105","0.1316","","","","","","1.139","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121877","8.7515","0.0003","12.3472","0.0004","8.8346","0.0003","90","","90","","90","","954.64","0.06","393","0.14","393","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H9 Mn N O6 -","- C24 H36 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0787","0.0543","","","0.1516","0.1703","","","","","","1.17","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121878","8.7393","0.0003","12.3416","0.0004","8.8576","0.0003","90","","90","","90","","955.35","0.06","373","0.14","373","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H11 Mn N O6 -","- C24 H44 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0737","0.0496","","","0.1324","0.1522","","","","","","1.122","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121879","8.6939","0.0003","12.3048","0.0004","8.8768","0.0003","90","","90","","90","","949.61","0.06","293","0.14","293","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H11 Mn N O6 -","- C24 H44 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0635","0.0431","","","0.1072","0.124","","","","","","1.143","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121880","8.6985","0.0003","12.3141","0.0004","8.8804","0.0003","90","","90","","90","","951.22","0.06","313","0.14","313","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H11 Mn N O6 -","- C24 H44 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0636","0.0426","","","0.1062","0.1219","","","","","","1.102","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121890","14.552","0.0005","14.6344","0.0005","15.0327","0.0006","67.739","0.003","88.928","0.003","65.891","0.003","2669","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C110 H90 B2 Cu2 F40 N6 O4 S2 -","- C110 H90 B2 Cu2 F40 N6 O4 S2 -","- C110 H90 B2 Cu2 F40 N6 O4 S2 -","1","0.5","","Kim, Sunghee; Ginsbach, Jake W.; Billah, A. Imtiaz; Siegler, Maxime A.; Moore, Cathy D.; Solomon, Edward I.; Karlin, Kenneth D.","Tuning of the Copper-Thioether Bond in Tetradentate N3S(thioether) Ligands; O-O Bond Reductive Cleavage via a [Cu(II)2(μ-1,2-peroxo)](2+)/[Cu(III)2(μ-oxo)2](2+) Equilibrium.","Journal of the American Chemical Society","2014","136","22","8063","","10.1021/ja502974c","","","1.54178","CuKα","","0.0324","0.0297","","","0.0763","0.0784","","","","","","1.03","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121891","14.1218","0.0003","15.1886","0.0003","15.4437","0.0003","112.681","0.002","99.1365","0.0017","108.159","0.0019","2753.21","0.12","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C109.14 H84.29 B2 Cu2 F40 N6 O5.29 S2 -","- C109.144 H84.288 B2 Cu2 F40 N6 O5.286 S2 -","- C109.144 H84.288 B2 Cu2 F40 N6 O5.286 S2 -","1","0.5","","Kim, Sunghee; Ginsbach, Jake W.; Billah, A. Imtiaz; Siegler, Maxime A.; Moore, Cathy D.; Solomon, Edward I.; Karlin, Kenneth D.","Tuning of the Copper-Thioether Bond in Tetradentate N3S(thioether) Ligands; O-O Bond Reductive Cleavage via a [Cu(II)2(μ-1,2-peroxo)](2+)/[Cu(III)2(μ-oxo)2](2+) Equilibrium.","Journal of the American Chemical Society","2014","136","22","8063","","10.1021/ja502974c","","","1.54178","CuKα","","0.0379","0.0335","","","0.0951","0.0993","","","","","","1.017","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121892","11.0119","0.0002","26.6898","0.0006","11.0783","0.0002","90","","93.1668","0.0019","90","","3251","0.11","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H39 Cl2 Cu N3 O11 S -","- C28 H39 Cl2 Cu N3 O11 S -","- C112 H156 Cl8 Cu4 N12 O44 S4 -","4","1","","Kim, Sunghee; Ginsbach, Jake W.; Billah, A. Imtiaz; Siegler, Maxime A.; Moore, Cathy D.; Solomon, Edward I.; Karlin, Kenneth D.","Tuning of the Copper-Thioether Bond in Tetradentate N3S(thioether) Ligands; O-O Bond Reductive Cleavage via a [Cu(II)2(μ-1,2-peroxo)](2+)/[Cu(III)2(μ-oxo)2](2+) Equilibrium.","Journal of the American Chemical Society","2014","136","22","8063","","10.1021/ja502974c","","","0.71073","MoKα","","0.0436","0.0329","","","0.0773","0.0812","","","","","","1.02","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121893","8.5031","0.0002","9.9656","0.0003","16.9854","0.0005","93.826","0.003","95.153","0.002","99.59","0.003","1408.57","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H33 Cl2 Cu N3 O10 S -","- C22 H33 Cl2 Cu N3 O10 S -","- C44 H66 Cl4 Cu2 N6 O20 S2 -","2","1","","Kim, Sunghee; Ginsbach, Jake W.; Billah, A. Imtiaz; Siegler, Maxime A.; Moore, Cathy D.; Solomon, Edward I.; Karlin, Kenneth D.","Tuning of the Copper-Thioether Bond in Tetradentate N3S(thioether) Ligands; O-O Bond Reductive Cleavage via a [Cu(II)2(μ-1,2-peroxo)](2+)/[Cu(III)2(μ-oxo)2](2+) Equilibrium.","Journal of the American Chemical Society","2014","136","22","8063","","10.1021/ja502974c","","","0.71073","MoKα","","0.031","0.0276","","","0.072","0.0733","","","","","","1.058","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121894","12.4411","0.0003","12.7513","0.0003","16.4894","0.0004","98.133","0.0018","102.843","0.0019","112.2","0.002","2286.54","0.11","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C92 H66 B2 Cu2 F40 N6 O4 S2 -","- C92 H66 B2 Cu2 F40 N6 O4 S2 -","- C92 H66 B2 Cu2 F40 N6 O4 S2 -","1","0.5","","Kim, Sunghee; Ginsbach, Jake W.; Billah, A. Imtiaz; Siegler, Maxime A.; Moore, Cathy D.; Solomon, Edward I.; Karlin, Kenneth D.","Tuning of the Copper-Thioether Bond in Tetradentate N3S(thioether) Ligands; O-O Bond Reductive Cleavage via a [Cu(II)2(μ-1,2-peroxo)](2+)/[Cu(III)2(μ-oxo)2](2+) Equilibrium.","Journal of the American Chemical Society","2014","136","22","8063","","10.1021/ja502974c","","","0.71073","MoKα","","0.0358","0.0291","","","0.0741","0.077","","","","","","1.043","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121895","10.4003","0.0005","13.2758","0.0007","13.2819","0.0007","66.056","0.005","82.033","0.004","78.063","0.004","1636.74","0.16","240","2","240","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H35 Cl2 Cu N3 O11 S -","- C26 H35 Cl2 Cu N3 O11 S -","- C52 H70 Cl4 Cu2 N6 O22 S2 -","2","1","","Kim, Sunghee; Ginsbach, Jake W.; Billah, A. Imtiaz; Siegler, Maxime A.; Moore, Cathy D.; Solomon, Edward I.; Karlin, Kenneth D.","Tuning of the Copper-Thioether Bond in Tetradentate N3S(thioether) Ligands; O-O Bond Reductive Cleavage via a [Cu(II)2(μ-1,2-peroxo)](2+)/[Cu(III)2(μ-oxo)2](2+) Equilibrium.","Journal of the American Chemical Society","2014","136","22","8063","","10.1021/ja502974c","","","1.54178","CuKα","","0.0406","0.0378","","","0.1085","0.1114","","","","","","1.058","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121896","12.004","0.002","17.666","0.003","18.152","0.003","94.322","0.003","100.559","0.003","104.961","0.003","3625.3","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H119 Br6 Fe3 N3 O4 P6 -","- C55 H119 Br6 Fe3 N3 O4 P6 -","- C110 H238 Br12 Fe6 N6 O8 P12 -","2","1","","Chakraborty, Sumit; Dai, Huiguang; Bhattacharya, Papri; Fairweather, Neil T.; Gibson, Michael S.; Krause, Jeanette A.; Guan, Hairong","Iron-Based Catalysts for the Hydrogenation of Esters to Alcohols.","Journal of the American Chemical Society","2014","136","22","7869","","10.1021/ja504034q","","","0.71073","MoKα","","0.0586","0.0322","","","0.0612","0.0691","","","","","","1.011","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121897","8.1326","0.0001","14.0809","0.0002","19.425","0.0003","90","","91.717","0.001","90","","2223.44","0.05","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H42 B Fe N O P2 -","- C17 H42 B Fe N O P2 -","- C68 H168 B4 Fe4 N4 O4 P8 -","4","1","","Chakraborty, Sumit; Dai, Huiguang; Bhattacharya, Papri; Fairweather, Neil T.; Gibson, Michael S.; Krause, Jeanette A.; Guan, Hairong","Iron-Based Catalysts for the Hydrogenation of Esters to Alcohols.","Journal of the American Chemical Society","2014","136","22","7869","","10.1021/ja504034q","","","1.54178","CuKα","","0.0446","0.0366","","","0.0929","0.0979","","","","","","1.042","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121898","8.0654","0.0001","13.8223","0.0002","19.6272","0.0003","90","","92.051","0.001","90","","2186.69","0.05","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H38 Br Fe N O P2 -","- C17 H38 Br Fe N O P2 -","- C68 H152 Br4 Fe4 N4 O4 P8 -","4","1","","Chakraborty, Sumit; Dai, Huiguang; Bhattacharya, Papri; Fairweather, Neil T.; Gibson, Michael S.; Krause, Jeanette A.; Guan, Hairong","Iron-Based Catalysts for the Hydrogenation of Esters to Alcohols.","Journal of the American Chemical Society","2014","136","22","7869","","10.1021/ja504034q","","","1.54178","CuKα","","0.0308","0.0271","","","0.0696","0.0721","","","","","","1.035","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121899","22.989","0.003","22.989","0.003","15.763","0.003","90","","90","","120","","7214.6","1.9","258","2","258","2","","","","","","","","5","R -3 :H","-R 3","148","ZIF-7","ZIF-7","","- C14 H10 N4 O2.24 Zn -","- C14 H10 N4 O2.24 Zn -","- C252 H180 N72 O40.32 Zn18 -","18","1","","Cai, Wanxi; Lee, Taehee; Lee, Maro; Cho, Woosuk; Han, Doug-Young; Choi, Nakwon; Yip, Alex C. K.; Choi, Jungkyu","Thermal Structural Transitions and Carbon Dioxide Adsorption Properties of Zeolitic Imidazolate Framework-7 (ZIF-7).","Journal of the American Chemical Society","2014","136","22","7961","","10.1021/ja5016298","","","0.71073","MoKα","","0.1711","0.0707","","","0.1157","0.127","","","","","","1.038","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121900","41.091","0.004","41.091","0.004","41.091","0.004","90","","90","","90","","69381","12","110","2","110","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C32 H22 Mg3 O12 -","- C32 H22 Mg3 O12 -","- C768 H528 Mg72 O288 -","24","0.125","","Liu, Tian-Fu; Zou, Lanfang; Feng, Dawei; Chen, Ying-Pin; Fordham, Stephen; Wang, Xuan; Liu, Yangyang; Zhou, Hong-Cai","Stepwise Synthesis of Robust Metal-Organic Frameworks via Postsynthetic Metathesis and Oxidation of Metal Nodes in a Single-Crystal to Single-Crystal Transformation.","Journal of the American Chemical Society","2014","136","22","7813","","10.1021/ja5023283","","","0.71073","MoKα","","0.2548","0.1993","","","0.2995","0.332","","","","","","1.009","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121901","40.77","0.04","40.77","0.04","40.77","0.04","90","","90","","90","","67768","12","110","2","110","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C32 H25 Fe3 O12 -","- C32 H25 Fe3 O12 -","- C768 H600 Fe72 O288 -","24","0.125","","Liu, Tian-Fu; Zou, Lanfang; Feng, Dawei; Chen, Ying-Pin; Fordham, Stephen; Wang, Xuan; Liu, Yangyang; Zhou, Hong-Cai","Stepwise Synthesis of Robust Metal-Organic Frameworks via Postsynthetic Metathesis and Oxidation of Metal Nodes in a Single-Crystal to Single-Crystal Transformation.","Journal of the American Chemical Society","2014","136","22","7813","","10.1021/ja5023283","","","0.71073","MoKα","","0.2673","0.1289","","","0.2529","0.3099","","","","","","1.007","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121902","40.881","0.008","40.881","0.008","40.881","0.008","90","","90","","90","","68323","2","110","2","110","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C32 H25 Cr3 N0 O12 -","- C32 H29 Cr3 O11 -","- C768 H696 Cr72 O264 -","24","0.125","","Liu, Tian-Fu; Zou, Lanfang; Feng, Dawei; Chen, Ying-Pin; Fordham, Stephen; Wang, Xuan; Liu, Yangyang; Zhou, Hong-Cai","Stepwise Synthesis of Robust Metal-Organic Frameworks via Postsynthetic Metathesis and Oxidation of Metal Nodes in a Single-Crystal to Single-Crystal Transformation.","Journal of the American Chemical Society","2014","136","22","7813","","10.1021/ja5023283","","","0.71073","MoKα","","0.3268","0.1795","","","0.3935","0.4368","","","","","","1.914","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121903","12.7335","0.0002","19.3738","0.0002","31.7858","0.0004","90","","90","","90","","7841.44","0.18","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H36 Cl2 Cu N4 O6 -","- C45 H36 Cl2 Cu N4 O6 -","- C360 H288 Cl16 Cu8 N32 O48 -","8","1","","Allpress, Caleb J.; Miłaczewska, Anna; Borowski, Tomasz; Bennett, Jami R.; Tierney, David L.; Arif, Atta M.; Berreau, Lisa M.","Halide-Promoted Dioxygenolysis of a Carbon-Carbon Bond by a Copper(II) Diketonate Complex.","Journal of the American Chemical Society","2014","136","22","7821","","10.1021/ja502577b","","","0.71073","MoKα","","0.0729","0.0396","","","0.0882","0.1008","","","","","","1.011","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121904","13.1354","0.0002","15.4508","0.0003","15.3363","0.0003","90","","90.3769","0.0012","90","","3112.47","0.1","150","1","150","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C31 H28 Cl4 Cu N4 O4 -","- C31 H28 Cl4 Cu N4 O4 -","- C124 H112 Cl16 Cu4 N16 O16 -","4","1","","Allpress, Caleb J.; Miłaczewska, Anna; Borowski, Tomasz; Bennett, Jami R.; Tierney, David L.; Arif, Atta M.; Berreau, Lisa M.","Halide-Promoted Dioxygenolysis of a Carbon-Carbon Bond by a Copper(II) Diketonate Complex.","Journal of the American Chemical Society","2014","136","22","7821","","10.1021/ja502577b","","","0.71073","MoKα","","0.0631","0.0394","","","0.097","0.1098","","","","","","1.017","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121905","21.104","0.003","21.104","0.003","21.104","0.003","90","","90","","90","","9399","2","110","2","110","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","PCN-94","","","- C162 H96 O32 Zr6 -","- C162 H96 O32 Zr6 -","- C162 H96 O32 Zr6 -","1","0.0208333","","Wei, Zhangwen; Gu, Zhi-Yuan; Arvapally, Ravi K.; Chen, Ying-Pin; McDougald, Jr, Roy N; Ivy, Joshua F.; Yakovenko, Andrey A.; Feng, Dawei; Omary, Mohammad A.; Zhou, Hong-Cai","Rigidifying fluorescent linkers by metal-organic framework formation for fluorescence blue shift and quantum yield enhancement.","Journal of the American Chemical Society","2014","136","23","8269","8276","10.1021/ja5006866","","","0.71073","MoKα","","0.1352","0.1188","","","0.2496","0.2605","","","","","","1.006","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121906","20.588","0.006","78.02","0.02","8.621","0.002","90","","90","","90","","13848","6","110","2","110","2","","","","","","","","4","F d d 2","F 2 -2d","43","H4ETTC","4',4''',4''''',4'''''''-(ethene-1,1,2,2-tetrayl)tetrakis(([1,1'-biphenyl] -4-carboxylic acid))","","- C72 H78 N6 O14 -","- C72 H78 N6 O14 -","- C576 H624 N48 O112 -","8","0.5","","Wei, Zhangwen; Gu, Zhi-Yuan; Arvapally, Ravi K.; Chen, Ying-Pin; McDougald, Jr, Roy N; Ivy, Joshua F.; Yakovenko, Andrey A.; Feng, Dawei; Omary, Mohammad A.; Zhou, Hong-Cai","Rigidifying fluorescent linkers by metal-organic framework formation for fluorescence blue shift and quantum yield enhancement.","Journal of the American Chemical Society","2014","136","23","8269","8276","10.1021/ja5006866","","","0.71073","MoKα","","0.1806","0.1346","","","0.2929","0.3114","","","","","","1.004","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121910","12.43","0.0027","11.2743","0.0012","9.0678","0.0022","90","","109.488","0.014","90","","1198","0.4","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H40 N8 O16 -","- C56 H40 N8 O16 -","- C56 H40 N8 O16 -","1","0.125","","Martins, David M. S.; Middlemiss, Derek S.; Pulham, Colin R.; Wilson, Chick C.; Weller, Mark T.; Henry, Paul F.; Shankland, Norman; Shankland, Kenneth; Marshall, William G.; Ibberson, Richard M.; Knight, Kevin; Moggach, Stephen; Brunelli, Michela; Morrison, Carole A.","Temperature- and pressure-induced proton transfer in the 1:1 adduct formed between squaric acid and 4,4'-bipyridine.","Journal of the American Chemical Society","2009","131","11","3884","3893","10.1021/ja8082973","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121911","14.926","0.003","12.592","0.003","7.6268","0.0016","90","","90.73","0.006","90","","1433.3","0.5","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 O8 -","- C36 H36 O8 -","- C72 H72 O16 -","2","0.25","","Gonzalez-de-Castro, Angela; Robertson, Craig M.; Xiao, Jianliang","Dehydrogenative α-Oxygenation of Ethers with an Iron Catalyst.","Journal of the American Chemical Society","2014","136","23","8350","8360","10.1021/ja502167h","","","0.71073","MoKα","","0.0446","0.0373","","","0.089","0.095","","","","","","1.033","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121912","10.984","0.0008","10.984","0.0008","52.464","0.004","90","","90","","90","","6329.7","0.8","100","","100","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C61 H67 F6 Fe N5 O11 S4 -","- C61 H67 F6 Fe N5 O11 S4 -","- C244 H268 F24 Fe4 N20 O44 S16 -","4","0.5","","Gonzalez-de-Castro, Angela; Robertson, Craig M.; Xiao, Jianliang","Dehydrogenative α-Oxygenation of Ethers with an Iron Catalyst.","Journal of the American Chemical Society","2014","136","23","8350","8360","10.1021/ja502167h","","","0.71073","MoKα","","0.0411","0.0395","","","0.0976","0.0985","","","","","","1.186","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121913","15.852","0.003","4.277","0.0008","21.043","0.004","90","","103.334","0.005","90","","1388.2","0.5","100","","100","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","0.5","","Gonzalez-de-Castro, Angela; Robertson, Craig M.; Xiao, Jianliang","Dehydrogenative α-Oxygenation of Ethers with an Iron Catalyst.","Journal of the American Chemical Society","2014","136","23","8350","8360","10.1021/ja502167h","","","0.71073","MoKα","","0.0389","0.0359","","","0.0911","0.0937","","","","","","1.059","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121914","7.2839","0.0014","7.6923","0.0015","26.517","0.005","90","","90.255","0.003","90","","1485.7","0.5","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 O8 -","- C36 H36 O8 -","- C72 H72 O16 -","2","0.5","","Gonzalez-de-Castro, Angela; Robertson, Craig M.; Xiao, Jianliang","Dehydrogenative α-Oxygenation of Ethers with an Iron Catalyst.","Journal of the American Chemical Society","2014","136","23","8350","8360","10.1021/ja502167h","","","0.71073","MoKα","","0.0573","0.0458","","","0.1082","0.1153","","","","","","1.022","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121915","9.9202","0.0005","11.6625","0.0006","15.0194","0.0008","111.87","0.003","97.172","0.003","103.982","0.003","1519.64","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20.65 N O5.32 -","- C15 H15 N O5.332 -","- C60 H60 N4 O21.328 -","4","2","","Helmy, Sameh; Leibfarth, Frank A.; Oh, Saemi; Poelma, Justin E.; Hawker, Craig J.; Read de Alaniz, Javier","Photoswitching using visible light: a new class of organic photochromic molecules.","Journal of the American Chemical Society","2014","136","23","8169","8172","10.1021/ja503016b","","","0.71073","MoKα","","0.0869","0.0666","","","0.1942","0.2084","","","","","","1.157","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121916","17.2369","0.0013","7.8216","0.0007","14.1194","0.0012","90","","104.169","0.004","90","","1845.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cl2 N O5 -","- C16 H22 Cl2 N O5 -","- C64 H88 Cl8 N4 O20 -","4","1","","Helmy, Sameh; Leibfarth, Frank A.; Oh, Saemi; Poelma, Justin E.; Hawker, Craig J.; Read de Alaniz, Javier","Photoswitching using visible light: a new class of organic photochromic molecules.","Journal of the American Chemical Society","2014","136","23","8169","8172","10.1021/ja503016b","","","0.71073","MoKα","","0.0631","0.0495","","","0.1337","0.1405","","","","","","1.082","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121917","16.2394","0.0018","11.0517","0.0012","19.39","0.003","90","","114.633","0.002","90","","3163.3","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H52 Mo P4 Si2 -","- C24 H52 Mo P4 Si2 -","- C96 H208 Mo4 P16 Si8 -","4","1","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.1079","0.0496","","","0.0881","0.1071","","","","","","1.007","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121918","9.5132","0.0011","9.3963","0.0011","29.385","0.003","90","","91.339","0.002","90","","2626","0.5","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H43 Mo P3 Si -","- C21 H43 Mo P3 Si -","- C84 H172 Mo4 P12 Si4 -","4","1","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.0702","0.0576","","","0.1161","0.1199","","","","","","1.256","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121919","38.441","0.003","9.6368","0.0008","16.7191","0.0015","90","","99.461","0.001","90","","6109.3","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H50 Mo P4 Si -","- C24 H50 Mo P4 Si -","- C192 H400 Mo8 P32 Si8 -","8","1","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.0716","0.0408","","","0.0871","0.0997","","","","","","1.023","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121920","13.762","0.002","9.4136","0.0015","23.238","0.004","90","","106.705","0.002","90","","2883.4","0.8","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 Mo P3 Si -","- C27 H43 Mo P3 Si -","- C108 H172 Mo4 P12 Si4 -","4","1","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.0952","0.0512","","","0.1002","0.1169","","","","","","1.014","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121921","11.5384","0.0011","16.2583","0.0016","19.167","0.0019","90","","102.975","0.001","90","","3503.8","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H51 Mo P3 Si2 -","- C33 H51 Mo P3 Si2 -","- C132 H204 Mo4 P12 Si8 -","4","1","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.0627","0.0434","","","0.1066","0.1195","","","","","","1.029","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121922","9.6486","0.0016","12.613","0.002","9.6355","0.0016","90","","90","","90","","1172.6","0.3","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H44 Mo P4 Si2 -","- C12 H44 Mo P4 Si2 -","- C24 H88 Mo2 P8 Si4 -","2","0.5","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.042","0.0384","","","0.0862","0.088","","","","","","1.091","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121923","15.8327","0.001","12.3924","0.0008","14.3996","0.0009","90","","101.111","0.0009","90","","2772.3","0.3","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H48 Mo P4 Si2 -","- C18 H48 Mo P4 Si2 -","- C72 H192 Mo4 P16 Si8 -","4","1","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.0388","0.0282","","","0.063","0.0685","","","","","","1.041","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121924","13.8563","0.0013","13.5078","0.0013","12.344","0.0012","90","","90","","90","","2310.4","0.4","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H42 Mo P4 Si -","- C12 H42 Mo P4 Si -","- C48 H168 Mo4 P16 Si4 -","4","0.5","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.0421","0.0318","","","0.0569","0.0604","","","","","","1.034","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121925","12.5268","0.0006","13.5257","0.0007","18.2118","0.0009","111.117","0.002","91.011","0.003","93.247","0.003","2871.5","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C60.5 H95 B N4 Ti -","- C60.5 H95 B N4 Ti -","- C121 H190 B2 N8 Ti2 -","2","1","","Thompson, Rick; Chen, Chun-Hsing; Pink, Maren; Wu, Gang; Mindiola, Daniel J.","A nitrido salt reagent of titanium.","Journal of the American Chemical Society","2014","136","23","8197","8200","10.1021/ja504020t","","","0.71073","MoKα","","0.0729","0.055","","","0.1433","0.155","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121926","13.1469","0.0006","14.0242","0.0006","14.8591","0.0006","84.854","0.002","68.454","0.002","81.063","0.002","2515.68","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C112 H150 K2 N8 Ti2 -","- C112 H150 K2 N8 Ti2 -","- C112 H150 K2 N8 Ti2 -","1","0.5","","Thompson, Rick; Chen, Chun-Hsing; Pink, Maren; Wu, Gang; Mindiola, Daniel J.","A nitrido salt reagent of titanium.","Journal of the American Chemical Society","2014","136","23","8197","8200","10.1021/ja504020t","","","0.71073","MoKα","","0.0846","0.0479","","","0.113","0.1272","","","","","","1.032","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121927","12.4424","0.0005","12.4647","0.0005","20.593","0.0009","94.49","0.002","101.744","0.002","115.885","0.002","2762.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58.5 H87 Al N4 O Ti -","- C58.5 H87 Al N4 O Ti -","- C117 H174 Al2 N8 O2 Ti2 -","2","1","","Thompson, Rick; Chen, Chun-Hsing; Pink, Maren; Wu, Gang; Mindiola, Daniel J.","A nitrido salt reagent of titanium.","Journal of the American Chemical Society","2014","136","23","8197","8200","10.1021/ja504020t","","","0.71073","MoKα","","0.0791","0.0653","","","0.1805","0.1937","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121928","10.4355","0.0008","12.7315","0.0009","18.1717","0.0013","86.649","0.004","84.733","0.004","70.149","0.004","2260.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H67 Cl N3 Ti -","- C49 H67 Cl N3 Ti -","- C98 H134 Cl2 N6 Ti2 -","2","1","","Thompson, Rick; Chen, Chun-Hsing; Pink, Maren; Wu, Gang; Mindiola, Daniel J.","A nitrido salt reagent of titanium.","Journal of the American Chemical Society","2014","136","23","8197","8200","10.1021/ja504020t","","","0.71073","MoKα","","0.068","0.045","","","0.1088","0.1195","","","","","","1.02","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121929","14.5091","0.0004","20.5507","0.0006","17.6019","0.0005","90","","110.483","0.001","90","","4916.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H76 N4 Ti -","- C56 H76 N4 Ti -","- C224 H304 N16 Ti4 -","4","1","","Thompson, Rick; Chen, Chun-Hsing; Pink, Maren; Wu, Gang; Mindiola, Daniel J.","A nitrido salt reagent of titanium.","Journal of the American Chemical Society","2014","136","23","8197","8200","10.1021/ja504020t","","","0.71073","MoKα","","0.0611","0.0427","","","0.1071","0.1174","","","","","","1.019","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121930","10.969","0.0001","14.0804","0.0001","20.8984","0.0002","97.76","0.0004","94.6572","0.0004","101.045","0.0003","3119.84","0.05","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C102 H48 N2 O7.5 -","- C102 H48 N2 O7.5 -","- C204 H96 N4 O15 -","2","1","","Zhang, Rui; Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Synthesis and Structure of an Open-Cage Thiafullerene C69S: Reactivity Differences of an Open-Cage C70 Tetraketone Relative to Its C60 Analogue.","Journal of the American Chemical Society","2014","136","23","8193","8196","10.1021/ja504054s","","","0.85","","","0.0879","0.081","","","0.268","0.275","","","","","","1.115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121931","10.9744","0.0001","15.6712","0.0001","32.7548","0.0003","90","","96.3456","0.0004","90","","5598.72","0.08","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C99 H34 N2 O2 -","- C99 H34 N2 O2 -","- C396 H136 N8 O8 -","4","1","","Zhang, Rui; Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Synthesis and Structure of an Open-Cage Thiafullerene C69S: Reactivity Differences of an Open-Cage C70 Tetraketone Relative to Its C60 Analogue.","Journal of the American Chemical Society","2014","136","23","8193","8196","10.1021/ja504054s","","","0.85","","","0.0905","0.077","","","0.2042","0.2221","","","","","","1.038","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121932","14.682","0.0003","14.9432","0.0003","22.5408","0.0004","104.896","0.0009","102.991","0.001","99.4224","0.0012","4526.19","0.16","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C138.5 H82 N6 Ni O3 -","- C138.5 H82 N6 Ni O3 -","- C277 H164 N12 Ni2 O6 -","2","1","","Zhang, Rui; Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Synthesis and Structure of an Open-Cage Thiafullerene C69S: Reactivity Differences of an Open-Cage C70 Tetraketone Relative to Its C60 Analogue.","Journal of the American Chemical Society","2014","136","23","8193","8196","10.1021/ja504054s","","","0.85","","","0.0885","0.0789","","","0.2188","0.2384","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121933","10.9998","0.0001","15.5835","0.0002","32.7449","0.0003","90","","96.8988","0.0005","90","","5572.34","0.1","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97 H31 Cl N2 O S -","- C97 H31 Cl N2 O S -","- C388 H124 Cl4 N8 O4 S4 -","4","1","","Zhang, Rui; Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Synthesis and Structure of an Open-Cage Thiafullerene C69S: Reactivity Differences of an Open-Cage C70 Tetraketone Relative to Its C60 Analogue.","Journal of the American Chemical Society","2014","136","23","8193","8196","10.1021/ja504054s","","","0.85","","","0.0868","0.0769","","","0.2065","0.2198","","","","","","1.054","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121934","9.7753","0.0011","12.6238","0.0015","30.737","0.004","90","","90","","90","","3793","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H60 O6 -","- C42 H60 O6 -","- C168 H240 O24 -","4","1","","Deng, Jun; Zhou, Shupeng; Zhang, Wenhao; Li, Jian; Li, Ruofan; Li, Ang","Total synthesis of taiwaniadducts B, C, and d.","Journal of the American Chemical Society","2014","136","23","8185","8188","10.1021/ja503972p","","","0.71073","MoKα","","0.064","0.0479","","","0.1139","0.1235","","","","","","1.034","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121935","7.8448","0.0009","12.3771","0.0014","20.72","0.002","90","","90","","90","","2011.8","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C92 H120 O16 -","4","1","","Deng, Jun; Zhou, Shupeng; Zhang, Wenhao; Li, Jian; Li, Ruofan; Li, Ang","Total synthesis of taiwaniadducts B, C, and d.","Journal of the American Chemical Society","2014","136","23","8185","8188","10.1021/ja503972p","","","0.71073","MoKα","","0.073","0.0486","","","0.1094","0.1204","","","","","","1.006","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121938","8.852","0.005","9.106","0.005","9.389","0.005","90","","113.263","0.009","90","","695.3","0.7","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 Cl N O -","- C15 H18 Cl N O -","- C30 H36 Cl2 N2 O2 -","2","1","","Curran, Dennis P.; Guthrie, David B.; Geib, Steven J.","How do analogous alpha-chloroenamides and alpha-iodoenamides give different product distributions in 5-endo radical cyclizations?","Journal of the American Chemical Society","2008","130","26","8437","8445","10.1021/ja8012962","","x-ray","0.71073","MoKα","","0.0643","0.0511","","","0.1313","0.1386","","","","","","0.999","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121940","6.3819","0.0013","9.1034","0.0018","9.7642","0.0019","108.882","0.003","103.887","0.003","95.759","0.003","511.18","0.18","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H22 Cl N O3 -","- C24 H22 Cl N O3 -","- C24 H22 Cl N O3 -","1","1","","Li, Qing-Hua; Wei, Liang; Wang, Chun-Jiang","Catalytic asymmetric 1,3-dipolar [3 + 6] cycloaddition of azomethine ylides with 2-acyl cycloheptatrienes: efficient construction of bridged heterocycles bearing piperidine moiety.","Journal of the American Chemical Society","2014","136","24","8685","8692","10.1021/ja503309u","","","0.71073","MoKα","","0.0375","0.0334","","","0.0839","0.0881","","","","","","1.06","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121941","13.8575","0.0015","13.8575","0.0015","12.3672","0.0013","90","","90","","120","","2056.7","0.4","296","2","296","2","","","","","","","","6","P 32","P 32","145","","","","- C27 H28 Cl N O6 S -","- C27 H28 Cl N O6 S -","- C81 H84 Cl3 N3 O18 S3 -","3","1","","Li, Qing-Hua; Wei, Liang; Wang, Chun-Jiang","Catalytic asymmetric 1,3-dipolar [3 + 6] cycloaddition of azomethine ylides with 2-acyl cycloheptatrienes: efficient construction of bridged heterocycles bearing piperidine moiety.","Journal of the American Chemical Society","2014","136","24","8685","8692","10.1021/ja503309u","","","0.71073","MoKα","","0.0805","0.0399","","","0.0744","0.089","","","","","","1.016","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121942","10.7267","0.0011","8.0894","0.0009","11.6346","0.0013","90","","100.927","0.002","90","","991.26","0.19","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl N O2 -","- C23 H24 Cl N O2 -","- C46 H48 Cl2 N2 O4 -","2","1","","Li, Qing-Hua; Wei, Liang; Wang, Chun-Jiang","Catalytic asymmetric 1,3-dipolar [3 + 6] cycloaddition of azomethine ylides with 2-acyl cycloheptatrienes: efficient construction of bridged heterocycles bearing piperidine moiety.","Journal of the American Chemical Society","2014","136","24","8685","8692","10.1021/ja503309u","","","0.71073","MoKα","","0.037","0.0341","","","0.0789","0.0812","","","","","","0.988","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121943","8.6789","0.0003","34.3705","0.0014","11.058","0.0007","90","","110.497","0.003","90","","3089.7","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C96 H24 N12 O72 Sc8 -","4","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1486","0.1131","","0.1211","0.1102","0.1102","","","","","","1.0853","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121944","8.744","0.003","20.762","0.006","34.408","0.011","90","","90","","90","","6247","3","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.057","0.0404","","0.1002","0.0941","0.1002","","","","","","0.9402","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121945","8.7977","0.0003","20.7323","0.001","34.3652","0.001","90","","90","","90","","6268.1","0.4","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C25.125 H16.5 O13.125 Sc2 -","- C26.056 H12 O14.056 Sc2 -","- C208.448 H96 O112.448 Sc16 -","8","0.25","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","1.54178","CuKα","","0.0823","0.0623","","0.17","0.1523","0.17","","","","","","0.9247","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121946","8.7682","0.0014","20.4694","0.0019","33.851","0.005","90","","90","","90","","6075.6","1.4","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C28.875 H31.5 O16.875 Sc2 -","- C28.84 H12 O16.84 Sc2 -","- C230.72 H96 O134.72 Sc16 -","8","0.25","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1459","0.0988","","0.3014","0.2518","0.3014","","","","","","1.1704","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121947","8.686","0.0004","34.208","0.002","11.0156","0.001","90","","110.632","0.005","90","","3063.1","0.4","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C96 H24 N12 O72 Sc8 -","4","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1792","0.1326","","0.1598","0.1398","0.1398","","","","","","0.9628","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121948","8.8244","0.001","20.6223","0.0014","34.123","0.003","90","","90","","90","","6209.7","1","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C28.75 H31 O16.75 Sc2 -","- C29.16 H12 O17.16 Sc2 -","- C233.28 H96 O137.28 Sc16 -","8","0.25","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1147","0.0794","","0.2502","0.2209","0.2502","","","","","","0.9897","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121949","8.6765","0.0001","34.4185","0.0005","11.0608","0.0002","90","","110.476","0.001","90","","3094.42","0.08","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C96 H24 N12 O72 Sc8 -","4","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1065","0.0878","","0.0999","0.0978","0.0978","","","","","","1.0754","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121950","8.7407","0.0004","20.7577","0.001","34.3372","0.0019","90","","90","","90","","6230","0.5","298","","298","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","1.54184","CuKα","","0.0459","0.04","","0.0862","0.0783","0.0862","","","","","","0.8154","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121951","8.8567","0.0016","20.693","0.002","34.249","0.006","90","","90","","90","","6276.9","1.7","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C28 H28 O16 Sc2 -","- C27.96 H12 O15.96 Sc2 -","- C223.68 H96 O127.68 Sc16 -","8","0.25","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1362","0.0889","","0.2102","0.189","0.2102","","","","","","1.0483","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121952","8.7316","0.0005","20.7231","0.0007","34.3055","0.0014","90","","90","","90","","6207.4","0.5","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.0769","0.044","","0.127","0.1131","0.127","","","","","","0.8514","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121953","8.8641","0.0017","20.698","0.002","34.229","0.006","90","","90","","90","","6280","1.7","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C28.875 H31.5 O16.875 Sc2 -","- C28.76 H12 O16.76 Sc2 -","- C230.08 H96 O134.08 Sc16 -","8","0.25","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1783","0.099","","0.2876","0.2417","0.2876","","","","","","0.9424","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121954","18.365","0.004","31.823","0.005","8.7225","0.0011","90","","90","","90","","5097.7","1.5","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C192 H48 N24 O144 Sc16 -","8","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1747","0.1407","","0.3984","0.3745","0.3984","","","","","","1.6212","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121955","19.61","0.006","32.864","0.008","8.6757","0.0016","90","","90","","90","","5591","2","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C192 H48 N24 O144 Sc16 -","8","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1748","0.1255","","0.3453","0.3015","0.3453","","","","","","1.2282","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121956","18.621","0.002","32.033","0.003","8.6911","0.0005","90","","90","","90","","5184.1","0.8","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C192 H48 N24 O144 Sc16 -","8","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1322","0.1013","","0.2575","0.2409","0.2575","","","","","","0.9975","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121957","8.7467","0.0002","20.7505","0.0004","34.3708","0.0006","90","","90","","90","","6238.2","0.2","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 O12 Sc2 -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.0951","0.0537","","0.1001","0.0906","0.1001","","","","","","0.9236","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121958","8.8041","0.0015","20.625","0.002","34.062","0.005","90","","90","","90","","6185.1","1.5","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C29.25 H33 O17.25 Sc2 -","- C29.2 H12 O17.2 Sc2 -","- C233.6 H96 O137.6 Sc16 -","8","0.25","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1444","0.0999","","0.3144","0.2676","0.3144","","","","","","0.9051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121959","18.951","0.002","32.321","0.003","8.6859","0.0005","90","","90","","90","","5320.2","0.8","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C192 H48 N24 O144 Sc16 -","8","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1495","0.1021","","0.2881","0.2512","0.2881","","","","","","0.9566","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121960","8.6111","0.0003","34.26","0.004","10.9614","0.0004","90","","109.949","0.002","90","","3039.8","0.4","293","","293","","","","27000","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C96 H24 N12 O72 Sc8 -","4","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.3238","0.1177","","0.1352","0.119","0.119","","","","","","1.3479","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121961","8.6786","0.0003","34.4286","0.0013","11.0628","0.0004","90","","110.482","0.002","90","","3096.5","0.2","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C96 H24 N12 O72 Sc8 -","4","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1263","0.0806","","0.0763","0.0679","0.0679","","","","","","1.1311","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121962","8.851","0.002","20.676","0.003","34.203","0.007","90","","90","","90","","6259","2","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C29.125 H32.5 O17.125 Sc2 -","- C29.24 H12 O17.24 Sc2 -","- C233.92 H96 O137.92 Sc16 -","8","0.25","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1803","0.0919","","0.2526","0.2118","0.2526","","","","","","0.9746","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121963","6.2662","0.0001","17.4708","0.0003","21.464","0.0015","90","","90","","90","","2349.78","0.17","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F9 N2 O2 S -","- C22 H19 F9 N2 O2 S -","- C88 H76 F36 N8 O8 S4 -","4","1","","Wangweerawong, Apiwat; Bergman, Robert G.; Ellman, Jonathan A.","Asymmetric Synthesis of α-Branched Amines via Rh(III)-Catalyzed C-H Bond Functionalization.","Journal of the American Chemical Society","2014","136","24","8520","8523","10.1021/ja5033452","","","1.54178","CuKα","","0.0386","0.0344","","","0.0724","0.075","","","","","","1.138","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121964","5.2361","0.0001","13.5746","0.0003","27.6919","0.0005","90","","90","","90","","1968.28","0.07","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C88 H92 N4 O12 S4 -","4","1","","Takeda, Youhei; Ikeda, Yuki; Kuroda, Akinobu; Tanaka, Shino; Minakata, Satoshi","Pd/NHC-Catalyzed Enantiospecific and Regioselective Suzuki-Miyaura Arylation of 2-Arylaziridines: Synthesis of Enantioenriched 2-Arylphenethylamine Derivatives.","Journal of the American Chemical Society","2014","136","24","8544","8547","10.1021/ja5039616","","","1.54187","CuKα","","0.1056","0.0708","","","0.1162","0.1282","","","","","","1.088","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121965","9.86","0.003","21.682","0.006","28.601","0.005","90","","87.321","0.014","90","","6108","3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C276 H300 N12 O24 S12 -","12","3","","Takeda, Youhei; Ikeda, Yuki; Kuroda, Akinobu; Tanaka, Shino; Minakata, Satoshi","Pd/NHC-Catalyzed Enantiospecific and Regioselective Suzuki-Miyaura Arylation of 2-Arylaziridines: Synthesis of Enantioenriched 2-Arylphenethylamine Derivatives.","Journal of the American Chemical Society","2014","136","24","8544","8547","10.1021/ja5039616","","","1.54187","CuKα","","0.1758","0.0875","","","0.1801","0.2234","","","","","","1.062","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121966","13.4376","0.0017","24.237","0.003","15.0417","0.0018","90","","93.186","0.002","90","","4891.3","1","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","cmpd5a","","","- C44 H64 O4 S4 Si4 -","- C44 H64 O4 S4 Si4 -","- C176 H256 O16 S16 Si16 -","4","1","","Fukazawa, Aiko; Oshima, Hiroya; Shimizu, Soji; Kobayashi, Nagao; Yamaguchi, Shigehiro","Dearomatization-induced transannular cyclization: synthesis of electron-accepting thiophene-s,s-dioxide-fused biphenylene.","Journal of the American Chemical Society","2014","136","24","8738","8745","10.1021/ja503499n","","","0.7107","MoKα","","0.0502","0.0452","","","0.1147","0.1186","","","","","","1.063","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121967","12.481","0.007","14.609","0.007","16.096","0.008","98.34","0.02","90.05","0.02","108.281","0.012","2754","2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","cmpd5b","","","- C46 H67 N O4 S4 Si4 -","- C44 H64 O4 S4 Si4 -","- C88 H128 O8 S8 Si8 -","2","1","","Fukazawa, Aiko; Oshima, Hiroya; Shimizu, Soji; Kobayashi, Nagao; Yamaguchi, Shigehiro","Dearomatization-induced transannular cyclization: synthesis of electron-accepting thiophene-s,s-dioxide-fused biphenylene.","Journal of the American Chemical Society","2014","136","24","8738","8745","10.1021/ja503499n","","","0.7107","MoKα","","0.0796","0.0648","","","0.1754","0.187","","","","","","1.156","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121968","6.8915","0.0008","23.793","0.003","16.7203","0.0019","90","","90.691","0.0019","90","","2741.4","0.6","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","cmpd4","","","- C48 H70 N2 O6 S4 Si4 -","- C48 H70 N2 O6 S4 Si4 -","- C96 H140 N4 O12 S8 Si8 -","2","0.5","","Fukazawa, Aiko; Oshima, Hiroya; Shimizu, Soji; Kobayashi, Nagao; Yamaguchi, Shigehiro","Dearomatization-induced transannular cyclization: synthesis of electron-accepting thiophene-s,s-dioxide-fused biphenylene.","Journal of the American Chemical Society","2014","136","24","8738","8745","10.1021/ja503499n","","","0.7107","MoKα","","0.0458","0.0418","","","0.1103","0.1135","","","","","","1.073","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121969","13.746","0.005","12.472","0.004","14.807","0.005","90","","93.306","0.005","90","","2534.3","1.5","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","cmpd3","","","- C44 H64 O8 S4 Si4 -","- C44 H64 O8 S4 Si4 -","- C88 H128 O16 S8 Si8 -","2","0.5","","Fukazawa, Aiko; Oshima, Hiroya; Shimizu, Soji; Kobayashi, Nagao; Yamaguchi, Shigehiro","Dearomatization-induced transannular cyclization: synthesis of electron-accepting thiophene-s,s-dioxide-fused biphenylene.","Journal of the American Chemical Society","2014","136","24","8738","8745","10.1021/ja503499n","","","0.7107","MoKα","","0.1297","0.0872","","","0.2207","0.2736","","","","","","1.178","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121970","7.627","0.0008","8.8684","0.0009","17.4002","0.0017","76.1095","0.0019","85.395","0.002","65.8753","0.0018","1042.52","0.18","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","jonsc21","(iPr2PCH2CH2NCH2CH2PiPr2)FeH(CO)","","- C17 H37 Fe N O P2 -","- C17 H37 Fe N O P2 -","- C34 H74 Fe2 N2 O2 P4 -","2","1","","Chakraborty, Sumit; Brennessel, William W.; Jones, William D.","A molecular iron catalyst for the acceptorless dehydrogenation and hydrogenation of N-heterocycles.","Journal of the American Chemical Society","2014","136","24","8564","8567","10.1021/ja504523b","","","0.71073","MoKα","","0.0429","0.0319","","","0.0747","0.0791","","","","","","1.065","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121971","11.147","0.003","10.433","0.002","27.58","0.007","90","","92.683","0.007","90","","3203.9","1.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H8 F36 O4 -","- C21 H8 F36 O4 -","- C84 H32 F144 O16 -","4","1","","Tirotta, Ilaria; Mastropietro, Alfonso; Cordiglieri, Chiara; Gazzera, Lara; Baggi, Fulvio; Baselli, Giuseppe; Grazia Bruzzone, Maria; Zucca, Ileana; Cavallo, Gabriella; Terraneo, Giancarlo; Baldelli Bombelli, Francesca; Metrangolo, Pierangelo; Resnati, Giuseppe","A Superfluorinated Molecular Probe for Highly Sensitive in Vivo(19)F-MRI.","Journal of the American Chemical Society","2014","136","24","8524","8527","10.1021/ja503270n","","","0.71073","MoKα","","0.1236","0.0794","","","0.2014","0.239","","","","","","1.027","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121972","9.656","0.002","9.741","0.002","14.998","0.004","78.909","0.004","83.3","0.003","74.702","0.004","1332.1","0.5","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 N2 Yb -","- C32 H38 N2 Yb -","- C64 H76 N4 Yb2 -","2","1","","Nocton, Grégory; Lukens, Wayne W.; Booth, Corwin H.; Rozenel, Sergio S.; Medling, Scott A.; Maron, Laurent; Andersen, Richard A.","Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands Activated by (C5Me5)2Yb.","Journal of the American Chemical Society","2014","136","24","8626","8641","10.1021/ja502271q","","","0.71073","MoKα","","0.0364","0.0305","","","0.0712","0.0739","","","","","","1.178","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121973","17.9675","0.0015","17.8594","0.0015","16.2715","0.0013","90","","90","","90","","5221.3","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H76 N4 Yb2 -","- C64 H76 N4 Yb2 -","- C256 H304 N16 Yb8 -","4","0.5","","Nocton, Grégory; Lukens, Wayne W.; Booth, Corwin H.; Rozenel, Sergio S.; Medling, Scott A.; Maron, Laurent; Andersen, Richard A.","Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands Activated by (C5Me5)2Yb.","Journal of the American Chemical Society","2014","136","24","8626","8641","10.1021/ja502271q","","x-ray","0.71073","MoKα","","0.0563","0.0344","","","0.0783","0.0855","","","","","","1.003","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121974","9.4244","0.0013","13.0969","0.0018","14.5221","0.0019","83.002","0.002","77.287","0.002","78.976","0.002","1710.3","0.4","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C82 H100 N4 Yb2 -","- C82 H100 N4 Yb2 -","- C82 H100 N4 Yb2 -","1","0.5","","Nocton, Grégory; Lukens, Wayne W.; Booth, Corwin H.; Rozenel, Sergio S.; Medling, Scott A.; Maron, Laurent; Andersen, Richard A.","Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands Activated by (C5Me5)2Yb.","Journal of the American Chemical Society","2014","136","24","8626","8641","10.1021/ja502271q","","x-ray","0.71073","MoKα","","0.0448","0.0369","","","0.0844","0.0882","","","","","","1.07","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121975","9.0108","0.0003","17.2862","0.0006","18.5122","0.0006","90","","90.228","0.002","90","","2883.48","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H42 N2 Yb -","- C34 H42 N2 Yb -","- C136 H168 N8 Yb4 -","4","1","","Nocton, Grégory; Lukens, Wayne W.; Booth, Corwin H.; Rozenel, Sergio S.; Medling, Scott A.; Maron, Laurent; Andersen, Richard A.","Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands Activated by (C5Me5)2Yb.","Journal of the American Chemical Society","2014","136","24","8626","8641","10.1021/ja502271q","","","0.71073","MoKα","","0.0239","0.0205","","","0.0463","0.0482","","","","","","1.074","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121976","9.7032","0.0013","31.081","0.004","28.751","0.004","90","","99.71","","90","","8547","2","137","2","137","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H42 N2 Yb -","- C34 H42 N2 Yb -","- C408 H504 N24 Yb12 -","12","3","","Nocton, Grégory; Lukens, Wayne W.; Booth, Corwin H.; Rozenel, Sergio S.; Medling, Scott A.; Maron, Laurent; Andersen, Richard A.","Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands Activated by (C5Me5)2Yb.","Journal of the American Chemical Society","2014","136","24","8626","8641","10.1021/ja502271q","","","0.71073","MoKα","","0.0588","0.0369","","","0.0653","0.0676","","","","","","0.98","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121977","10.9776","0.0003","9.9868","0.0003","28.5806","0.0008","90","","90","","90","","3133.32","0.15","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C160 H136 N8 O24 -","8","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0339","0.0324","","","0.0803","0.0814","","","","","","1.054","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121978","14.5256","0.0003","6.9706","0.0002","24.6411","0.0006","90","","92.089","0.001","90","","2493.31","0.11","100","2","100.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C120 H120 N8 O24 -","8","4","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0297","0.0279","","","0.0682","0.0695","","","","","","1.029","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121979","7.2608","0.0002","12.2775","0.0004","13.9906","0.0005","90","","90","","90","","1247.18","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0258","0.0255","","","0.0666","0.0675","","","","","","1.077","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121980","10.9054","0.0003","17.4588","0.0004","6.6865","0.0002","90","","90","","90","","1273.08","0.06","100","","100.01","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H17 N O3.5 -","- C15 H15 N O3.5 -","- C60 H60 N4 O14 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0342","0.0327","","","0.0894","0.0908","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121981","10.9133","0.0002","17.456","0.0004","6.6856","0.0001","90","","90","","90","","1273.62","0.04","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H16 N O3.5 -","- C15 H16 N O3.5 -","- C60 H64 N4 O14 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0343","0.0337","","","0.0969","0.0975","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121982","10.0478","0.0003","7.4742","0.0002","10.4273","0.0003","90","","117.995","0.001","90","","691.45","0.03","100","2","100.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C32 H34 N2 O6 -","2","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.025","0.0248","","","0.0656","0.0659","","","","","","1.054","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121983","10.0586","0.0015","7.4726","0.0011","10.4252","0.0015","90","","117.968","0.005","90","","692.08","0.18","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C32 H34 N2 O6 -","2","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0267","0.0264","","","0.0681","0.0683","","","","","","1.059","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121984","10.4155","0.0004","10.8207","0.0004","11.9003","0.0004","90","","90","","90","","1341.2","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0496","0.0486","","","0.1323","0.1331","","","","","","1.052","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121985","10.4007","0.0007","10.8621","0.0007","11.9388","0.0008","90","","90","","90","","1348.77","0.15","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0716","0.068","","","0.198","0.2027","","","","","","1.06","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121986","10.5863","0.0005","7.2819","0.0003","10.7905","0.0005","90","","112.547","0.002","90","","768.24","0.06","100","","100.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C40 H34 N2 O6 -","2","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0249","0.0248","","","0.064","0.0642","","","","","","1.046","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121987","10.5871","0.0002","7.2845","0.0002","10.7784","0.0003","90","","112.488","0.002","90","","768.04","0.04","100","","100.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C40 H34 N2 O6 -","2","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0279","0.0263","","","0.0649","0.066","","","","","","1.029","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121988","10.5289","0.0002","10.8797","0.0002","11.1329","0.0002","90","","90","","90","","1275.29","0.04","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0394","0.0343","","","0.0782","0.0808","","","","","","1.092","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121989","10.412","0.0003","11.0795","0.0003","11.1114","0.0004","90","","90","","90","","1281.81","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0435","0.0413","","","0.1107","0.1124","","","","","","1.06","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121990","7.051","0.003","12.646","0.005","16.338","0.005","90","","90","","90","","1456.8","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Br O2 -","- C15 H19 Br O2 -","- C60 H76 Br4 O8 -","4","1","","Feng, Jiajie; Garza, Victoria J.; Krische, Michael J.","Redox-Triggered C-C Coupling of Alcohols and Vinyl Epoxides: Diastereo- and Enantioselective Formation of All-Carbon Quaternary Centers via tert-(Hydroxy)-Prenylation.","Journal of the American Chemical Society","2014","136","25","8911","8914","10.1021/ja504625m","","","0.71073","MoKα","","0.0209","0.0201","","","0.0508","0.0512","","","","","","1.082","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121991","11.3472","0.0015","16.549","0.002","20.044","0.003","79.129","0.002","87.126","0.002","79.929","0.002","3638.9","0.8","130","2","130","2","","","","","","","","6","P -1","-P 1","2","tap006","","","- C60 H77 K4 N11.5 O22 Th -","- C59.818 H77.08 K4 N11.577 O22.249 Th -","- C119.636 H154.16 K8 N23.154 O44.498 Th2 -","2","1","","Pham, Tiffany A.; Xu, Jide; Raymond, Kenneth N.","A macrocyclic chelator with unprecedented th(4+) affinity.","Journal of the American Chemical Society","2014","136","25","9106","9115","10.1021/ja503456r","","","0.71073","MoKα","","0.1147","0.0709","","","0.1711","0.1973","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121992","11.0189","0.0006","8.3701","0.0004","29.9278","0.0015","90","","94.475","0.002","90","","2751.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H72 Cl2 N10 O22 -","- C50 H72 Cl4 N10 O22 -","- C100 H144 Cl8 N20 O44 -","2","0.5","","Pham, Tiffany A.; Xu, Jide; Raymond, Kenneth N.","A macrocyclic chelator with unprecedented th(4+) affinity.","Journal of the American Chemical Society","2014","136","25","9106","9115","10.1021/ja503456r","","","1.54178","CuKα","","0.0432","0.0355","","","0.092","0.0966","","","","","","1.038","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121993","8.6814","0.0002","7.3122","0.0002","13.837","0.0004","90","","128.498","0.002","90","","687.44","0.04","173","2","173","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- Ba2 O15 P5 Rb -","- Ba2 O15 P5 Rb -","- Ba4 O30 P10 Rb2 -","2","1","","Zhao, Sangen; Gong, Pifu; Luo, Siyang; Bai, Lei; Lin, Zheshuai; Ji, Chengmin; Chen, Tianliang; Hong, Maochun; Luo, Junhua","Deep-Ultraviolet Transparent Phosphates RbBa2(PO3)5 and Rb2Ba3(P2O7)2 Show Nonlinear Optical Activity from Condensation of [PO4](3-) Units.","Journal of the American Chemical Society","2014","136","24","8560","8563","10.1021/ja504319x","","","0.71073","MoKα","","0.0275","0.0266","","","0.0598","0.0604","","","","","","1.033","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121994","8.9487","0.0002","9.4087","0.0002","18.4277","0.0003","90","","90","","90","","1551.53","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Ba3 O14 P4 Rb2 -","- Ba3 O14 P4 Rb2 -","- Ba12 O56 P16 Rb8 -","4","1","","Zhao, Sangen; Gong, Pifu; Luo, Siyang; Bai, Lei; Lin, Zheshuai; Ji, Chengmin; Chen, Tianliang; Hong, Maochun; Luo, Junhua","Deep-Ultraviolet Transparent Phosphates RbBa2(PO3)5 and Rb2Ba3(P2O7)2 Show Nonlinear Optical Activity from Condensation of [PO4](3-) Units.","Journal of the American Chemical Society","2014","136","24","8560","8563","10.1021/ja504319x","","","0.71073","MoKα","","0.0528","0.0491","","","0.1128","0.1148","","","","","","1.053","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121995","5.17086","0.00015","5.17086","","13.9353","0.0004","90","","90","","120","","322.68","","298","","298","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","zinc iron tantalite","","- Fe O6 Ta Zn2 -","- Fe O6 Ta Zn2 -","- Fe3 O18 Ta3 Zn6 -","3","0.166667","","Li, Man-Rong; Stephens, Peter W.; Retuerto, Maria; Sarkar, Tapati; Grams, Christoph P.; Hemberger, Joachim; Croft, Mark C.; Walker, David; Greenblatt, Martha","Designing Polar and Magnetic Oxides: Zn2FeTaO6 - in Search of Multiferroics.","Journal of the American Chemical Society","2014","136","24","8508","8511","10.1021/ja502774v","powder diffraction","x-ray","0.70018","","","","","","","","","0.0927","","1.15","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121998","18.23736","0.00014","4.93687","0.00004","11.96092","0.00011","90","","120.722","0.0007","90","","925.769","0.015","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Fe3 Na2 O12 P3 -","- Fe3 Na2 O12 P3 -","- Fe12 Na8 O48 P12 -","4","1","","Boucher, Florent; Gaubicher, Joël; Cuisinier, Marine; Guyomard, Dominique; Moreau, Philippe","Elucidation of the Na2/3FePO4 and Li2/3FePO4 Intermediate Superstructure Revealing a Pseudouniform Ordering in 2D.","Journal of the American Chemical Society","2014","136","25","9144","9157","10.1021/ja503622y","powder diffraction","","0.725633","synchrotron","","","","","","","","","1.3528","0.777","","","","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121999","9.2633","0.0002","9.369","0.0002","9.9779","0.0002","90","","90","","90","","865.96","0.03","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","1","","Wang, Sen; Wen, Xin; DeVries, Arthur L.; Bagdagulyan, Yelena; Morita, Alexander; Golen, James A.; Duman, John G.; Rheingold, Arnold L.","Molecular Recognition of Methyl α-d-Mannopyranoside by Antifreeze (Glyco)Proteins.","Journal of the American Chemical Society","2014","136","25","8973","8981","10.1021/ja502837t","","","1.54178","CuKα","","0.0233","0.0232","","","0.0685","0.0687","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122000","13.8684","0.0001","14.978","0.0002","39.1771","0.0003","90","","94.9953","0.0008","90","","8106.99","0.14","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[Rh(XantPhos)(H)(BHNiPr2)(MeCN)][BArF4]","","- C79 H63 B2 F24 N2 O P2 Rh -","- C79 H63 B2 F24 N2 O P2 Rh -","- C316 H252 B8 F96 N8 O4 P8 Rh4 -","4","1","","Johnson, Heather C.; Leitao, Erin M.; Whittell, George R.; Manners, Ian; Lloyd-Jones, Guy C; Weller, Andrew S.","Mechanistic studies of the dehydrocoupling and dehydropolymerization of amine-boranes using a [rh(xantphos)](+) catalyst.","Journal of the American Chemical Society","2014","136","25","9078","9093","10.1021/ja503335g","","","1.5418","CuKα","","0.0516","0.0454","","0.1093","0.107","0.1093","","","","","","0.9908","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122001","11.393","0.003","16.693","0.004","11.163","0.002","90","","119.083","0.004","90","","1855.3","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 Si2 -","- C42 H52 Si2 -","- C84 H104 Si4 -","2","0.5","","Rose, Bradley D.; Sumner, Natalie J.; Filatov, Alexander S.; Peters, Steven J.; Zakharov, Lev N.; Petrukhina, Marina A.; Haley, Michael M.","Experimental and Computational Studies of the Neutral and Reduced States of Indeno[1,2-b]fluorene.","Journal of the American Chemical Society","2014","136","25","9181","9189","10.1021/ja503870z","","","0.71073","MoKα","","0.097","0.0824","","","0.1955","0.2037","","","","","","1.098","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122002","15.372","0.005","15.458","0.005","20.271","0.006","84.859","0.004","78.483","0.004","75.506","0.004","4566","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H140 O14 Rb2 Si2 -","- C92 H140 O14 Rb2 Si2 -","- C184 H280 O28 Rb4 Si4 -","2","1","","Rose, Bradley D.; Sumner, Natalie J.; Filatov, Alexander S.; Peters, Steven J.; Zakharov, Lev N.; Petrukhina, Marina A.; Haley, Michael M.","Experimental and Computational Studies of the Neutral and Reduced States of Indeno[1,2-b]fluorene.","Journal of the American Chemical Society","2014","136","25","9181","9189","10.1021/ja503870z","","","0.71073","Mo-Kα","","0.1989","0.0801","","","0.1379","0.1704","","","","","","0.853","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122003","8.8308","0.001","12.06","0.0013","14.1805","0.0015","79.933","0.003","89.743","0.003","77.696","0.003","1452","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 Mo2 O6 -","- C30 H34 Mo2 O6 -","- C60 H68 Mo4 O12 -","2","1","","Carrasco, Mario; Mendoza, Irene; Faust, Michelle; López-Serrano, Joaquín; Peloso, Riccardo; Rodríguez, Amor; Alvarez, Eleuterio; Maya, Celia; Power, Philip P.; Carmona, Ernesto","Terphenyl complexes of molybdenum and tungsten with quadruple metal-metal bonds and bridging carboxylate ligands.","Journal of the American Chemical Society","2014","136","25","9173","9180","10.1021/ja503750a","","","0.71073","MoKα","","0.0815","0.0586","","","0.1565","0.1742","","","","","","1.096","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122004","12.964","0.0007","17.3636","0.0008","18.9563","0.0008","90","","109.657","0.003","90","","4018.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H58 Mo2 O6 -","- C42 H58 Mo2 O6 -","- C168 H232 Mo8 O24 -","4","1","","Carrasco, Mario; Mendoza, Irene; Faust, Michelle; López-Serrano, Joaquín; Peloso, Riccardo; Rodríguez, Amor; Alvarez, Eleuterio; Maya, Celia; Power, Philip P.; Carmona, Ernesto","Terphenyl complexes of molybdenum and tungsten with quadruple metal-metal bonds and bridging carboxylate ligands.","Journal of the American Chemical Society","2014","136","25","9173","9180","10.1021/ja503750a","","","0.71073","MoKα","","0.1248","0.0591","","","0.1397","0.1735","","","","","","1.038","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122005","8.6722","0.0004","14.788","0.0006","23.1393","0.001","90.411","0.002","91.901","0.002","91.848","0.001","2964.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H21 F9 Mo2 O6 -","- C28 H21 F9 Mo2 O6 -","- C112 H84 F36 Mo8 O24 -","4","2","","Carrasco, Mario; Mendoza, Irene; Faust, Michelle; López-Serrano, Joaquín; Peloso, Riccardo; Rodríguez, Amor; Alvarez, Eleuterio; Maya, Celia; Power, Philip P.; Carmona, Ernesto","Terphenyl complexes of molybdenum and tungsten with quadruple metal-metal bonds and bridging carboxylate ligands.","Journal of the American Chemical Society","2014","136","25","9173","9180","10.1021/ja503750a","","","0.71073","MoKα","","0.0435","0.0305","","","0.0646","0.0687","","","","","","1.035","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122006","12.196","0.003","17.152","0.004","18.742","0.003","90","","92.469","0.005","90","","3916.9","1.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H37 F9 Mo2 O6 -","- C36 H37 F9 Mo2 O6 -","- C144 H148 F36 Mo8 O24 -","4","1","","Carrasco, Mario; Mendoza, Irene; Faust, Michelle; López-Serrano, Joaquín; Peloso, Riccardo; Rodríguez, Amor; Alvarez, Eleuterio; Maya, Celia; Power, Philip P.; Carmona, Ernesto","Terphenyl complexes of molybdenum and tungsten with quadruple metal-metal bonds and bridging carboxylate ligands.","Journal of the American Chemical Society","2014","136","25","9173","9180","10.1021/ja503750a","","","0.71073","MoKα","","0.048","0.0353","","","0.0854","0.0908","","","","","","1.045","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122007","10.7561","0.0006","12.1811","0.0006","33.4375","0.0018","81.079","0.002","89.802","0.002","87.103","0.002","4322.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H94 F12 Mo4 O9 -","- C100 H94 F12 Mo4 O9 -","- C200 H188 F24 Mo8 O18 -","2","1","","Carrasco, Mario; Mendoza, Irene; Faust, Michelle; López-Serrano, Joaquín; Peloso, Riccardo; Rodríguez, Amor; Alvarez, Eleuterio; Maya, Celia; Power, Philip P.; Carmona, Ernesto","Terphenyl complexes of molybdenum and tungsten with quadruple metal-metal bonds and bridging carboxylate ligands.","Journal of the American Chemical Society","2014","136","25","9173","9180","10.1021/ja503750a","","","0.71073","MoKα","","0.0726","0.0516","","","0.1323","0.1421","","","","","","1.057","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122008","12.746","0.0006","13.7441","0.0007","16.6183","0.0008","82.265","0.001","83.126","0.001","82.649","0.001","2845.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H74 F6 Mo2 O4 -","- C64 H74 F6 Mo2 O4 -","- C128 H148 F12 Mo4 O8 -","2","1","","Carrasco, Mario; Mendoza, Irene; Faust, Michelle; López-Serrano, Joaquín; Peloso, Riccardo; Rodríguez, Amor; Alvarez, Eleuterio; Maya, Celia; Power, Philip P.; Carmona, Ernesto","Terphenyl complexes of molybdenum and tungsten with quadruple metal-metal bonds and bridging carboxylate ligands.","Journal of the American Chemical Society","2014","136","25","9173","9180","10.1021/ja503750a","","","0.71073","MoKα","","0.0439","0.0342","","","0.0942","0.0988","","","","","","1.089","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122009","10.6961","0.0006","12.2227","0.0007","33.5128","0.0019","98.871","0.001","90.005","0.001","92.874","0.001","4323.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 F6 O4 W2 -","- C48 H42 F6 O4 W2 -","- C192 H168 F24 O16 W8 -","4","2","","Carrasco, Mario; Mendoza, Irene; Faust, Michelle; López-Serrano, Joaquín; Peloso, Riccardo; Rodríguez, Amor; Alvarez, Eleuterio; Maya, Celia; Power, Philip P.; Carmona, Ernesto","Terphenyl complexes of molybdenum and tungsten with quadruple metal-metal bonds and bridging carboxylate ligands.","Journal of the American Chemical Society","2014","136","25","9173","9180","10.1021/ja503750a","","","0.71073","MoKα","","0.041","0.0352","","","0.0813","0.0843","","","","","","1.044","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122010","12.1829","0.0001","16.7868","0.0002","18.386","0.0002","109.558","0.0006","104.235","0.0006","90.7803","0.0004","3415.41","0.06","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H116 N4 O4 -","- C74 H116 N4 O4 -","- C148 H232 N8 O8 -","2","1","","Hoshino, Manabu; Uchida, Emi; Norikane, Yasuo; Azumi, Reiko; Nozawa, Shunsuke; Tomita, Ayana; Sato, Tokushi; Adachi, Shin-Ichi; Koshihara, Shin-Ya","Crystal Melting by Light: X-ray Crystal Structure Analysis of an Azo Crystal Showing Photoinduced Crystal-Melt Transition.","Journal of the American Chemical Society","2014","136","25","9158","9164","10.1021/ja503652c","","","0.68889","synchrotron","","0.0559","0.0506","","","0.1385","0.1431","","","","","","1.066","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122011","12.1984","0.0001","16.88","0.0002","18.4383","0.0002","109.598","0.0006","104.431","0.0006","90.62","0.0005","3445.24","0.06","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H116 N4 O4 -","- C74 H116 N4 O4 -","- C148 H232 N8 O8 -","2","1","","Hoshino, Manabu; Uchida, Emi; Norikane, Yasuo; Azumi, Reiko; Nozawa, Shunsuke; Tomita, Ayana; Sato, Tokushi; Adachi, Shin-Ichi; Koshihara, Shin-Ya","Crystal Melting by Light: X-ray Crystal Structure Analysis of an Azo Crystal Showing Photoinduced Crystal-Melt Transition.","Journal of the American Chemical Society","2014","136","25","9158","9164","10.1021/ja503652c","","","0.68889","synchrotron","","0.057","0.0502","","","0.1402","0.1456","","","","","","1.066","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122012","12.2235","0.0001","16.9976","0.0002","18.4928","0.0002","109.685","0.0007","104.677","0.0007","90.4584","0.0005","3481.22","0.07","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H116 N4 O4 -","- C74 H116 N4 O4 -","- C148 H232 N8 O8 -","2","1","","Hoshino, Manabu; Uchida, Emi; Norikane, Yasuo; Azumi, Reiko; Nozawa, Shunsuke; Tomita, Ayana; Sato, Tokushi; Adachi, Shin-Ichi; Koshihara, Shin-Ya","Crystal Melting by Light: X-ray Crystal Structure Analysis of an Azo Crystal Showing Photoinduced Crystal-Melt Transition.","Journal of the American Chemical Society","2014","136","25","9158","9164","10.1021/ja503652c","","","0.68889","synchrotron","","0.0617","0.0516","","","0.1481","0.1578","","","","","","1.081","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122013","12.2273","0.0002","18.0447","0.0004","18.8044","0.0004","115.092","0.0009","104.766","0.0009","95.9712","0.0006","3525.16","0.13","240","2","240","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H116 N4 O4 -","- C74 H116 N4 O4 -","- C148 H232 N8 O8 -","2","1","","Hoshino, Manabu; Uchida, Emi; Norikane, Yasuo; Azumi, Reiko; Nozawa, Shunsuke; Tomita, Ayana; Sato, Tokushi; Adachi, Shin-Ichi; Koshihara, Shin-Ya","Crystal Melting by Light: X-ray Crystal Structure Analysis of an Azo Crystal Showing Photoinduced Crystal-Melt Transition.","Journal of the American Chemical Society","2014","136","25","9158","9164","10.1021/ja503652c","","","0.68889","synchrotron","","0.1001","0.0708","","","0.2125","0.2358","","","","","","1.094","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122014","12.51","0.0003","18.0407","0.0005","18.8888","0.0006","111.689","0.0014","104.642","0.001","102.258","0.0011","3604.13","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H116 N4 O4 -","- C74 H116 N4 O4 -","- C148 H232 N8 O8 -","2","1","","Hoshino, Manabu; Uchida, Emi; Norikane, Yasuo; Azumi, Reiko; Nozawa, Shunsuke; Tomita, Ayana; Sato, Tokushi; Adachi, Shin-Ichi; Koshihara, Shin-Ya","Crystal Melting by Light: X-ray Crystal Structure Analysis of an Azo Crystal Showing Photoinduced Crystal-Melt Transition.","Journal of the American Chemical Society","2014","136","25","9158","9164","10.1021/ja503652c","","","0.68889","synchrotron","","0.0943","0.0763","","","0.2256","0.25","","","","","","1.06","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122015","20.8477","0.0004","11.8734","0.0002","16.0707","0.0003","90","","109.47","0.001","90","","3750.55","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 Ir O P2 -","- C41 H55 Ir O P2 -","- C164 H220 Ir4 O4 P8 -","4","1","","Hackenberg, Jason D.; Kundu, Sabuj; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Acid-Catalyzed Oxidative Addition of a C-H Bond to a Square Planar d(8) Iridium Complex.","Journal of the American Chemical Society","2014","136","25","8891","8894","10.1021/ja503953v","","","1.54178","CuKα","","0.0438","0.0406","","","0.0864","0.0881","","","","","","1","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122016","12.5713","0.0006","12.3816","0.0006","38.9538","0.0018","90","","96.22","0.001","90","","6027.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H56 B F24 Ir O P2 -","- C57 H56 B F24 Ir O P2 -","- C228 H224 B4 F96 Ir4 O4 P8 -","4","1","","Hackenberg, Jason D.; Kundu, Sabuj; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Acid-Catalyzed Oxidative Addition of a C-H Bond to a Square Planar d(8) Iridium Complex.","Journal of the American Chemical Society","2014","136","25","8891","8894","10.1021/ja503953v","","","0.71073","MoKα","","0.0395","0.0336","","","0.0754","0.0781","","","","","","1.004","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122017","15.8713","0.0009","11.7642","0.0007","16.8804","0.001","90","","90","","90","","3151.8","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C33 H49 Ir O P2 -","- C33 H49 Ir O P2 -","- C132 H196 Ir4 O4 P8 -","4","1","","Hackenberg, Jason D.; Kundu, Sabuj; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Acid-Catalyzed Oxidative Addition of a C-H Bond to a Square Planar d(8) Iridium Complex.","Journal of the American Chemical Society","2014","136","25","8891","8894","10.1021/ja503953v","","","0.71073","MoKα","","0.0574","0.0377","","","0.0889","0.0989","","","","","","1.006","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122018","6.0841","0.0005","15.6924","0.0012","22.5997","0.0018","90","","90","","90","","2157.7","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O2 S2 -","- C25 H27 N O2 S2 -","- C100 H108 N4 O8 S8 -","4","1","","Denmark, Scott E.; Chi, Hyung Min","Lewis base catalyzed, enantioselective, intramolecular sulfenoamination of olefins.","Journal of the American Chemical Society","2014","136","25","8915","8918","10.1021/ja5046296","","","0.71073","MoKα","","0.0272","0.0253","","","0.0625","0.0634","","","","","","1.059","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122019","14.8695","0.0015","15.973","0.002","37.274","0.004","90","","90","","90","","8853","1.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C41.59 H60.47 B11 Cl0.7 F Fe N2 O -","- C41.59 H60.475 B11 Cl0.705 F Fe N2 O -","- C332.72 H483.8 B88 Cl5.64 F8 Fe8 N16 O8 -","8","2","","Lee, Sarah Yunmi; Neufeind, Stefan; Fu, Gregory C.","Enantioselective Nucleophile-Catalyzed Synthesis of Tertiary Alkyl Fluorides via the α-Fluorination of Ketenes: Synthetic and Mechanistic Studies.","Journal of the American Chemical Society","2014","136","25","8899","8902","10.1021/ja5044209","","","0.71073","MoKα","","0.096","0.061","","","0.1396","0.1563","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122020","8.4495","0.0007","5.1247","0.0004","14.4009","0.0012","90","","95.193","0.004","90","","621.02","0.09","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H15 Br F N O -","- C12 H15 Br F N O -","- C24 H30 Br2 F2 N2 O2 -","2","1","","Lee, Sarah Yunmi; Neufeind, Stefan; Fu, Gregory C.","Enantioselective Nucleophile-Catalyzed Synthesis of Tertiary Alkyl Fluorides via the α-Fluorination of Ketenes: Synthetic and Mechanistic Studies.","Journal of the American Chemical Society","2014","136","25","8899","8902","10.1021/ja5044209","","","0.71073","MoKα","","0.0361","0.0343","","","0.0842","0.0856","","","","","","1.092","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122021","21.7099","0.0011","21.7099","0.0011","5.3925","0.0003","90","","90","","120","","2201.1","0.2","100","","100","","","","","","","","","6","P 61","P 61","169","","","","- C16 H15 Cl F N O -","- C16 H15 Cl F N O -","- C96 H90 Cl6 F6 N6 O6 -","6","1","","Lee, Sarah Yunmi; Neufeind, Stefan; Fu, Gregory C.","Enantioselective Nucleophile-Catalyzed Synthesis of Tertiary Alkyl Fluorides via the α-Fluorination of Ketenes: Synthetic and Mechanistic Studies.","Journal of the American Chemical Society","2014","136","25","8899","8902","10.1021/ja5044209","","","0.71073","MoKα","","0.0591","0.0407","","","0.0932","0.0989","","","","","","1.037","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122022","9.3319","0.0003","11.6691","0.0003","17.0064","0.0005","80.349","0.001","75.238","0.001","88.035","0.001","1765.37","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H54 Al B N2 O2 -","- C35 H54 Al B N2 O2 -","- C70 H108 Al2 B2 N4 O4 -","2","1","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0641","0.0506","","","0.1412","0.1532","","","","","","1.032","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122023","11.9759","0.0009","12.3948","0.0008","24.9637","0.0017","104.188","0.003","93.639","0.004","90.242","0.004","3584.6","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H100 Al2 N6 O0.5 -","- C72 H98 Al2 N6 O0.5 -","- C144 H196 Al4 N12 O -","2","1","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.1329","0.0689","","","0.1628","0.1955","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122024","17.2991","0.0007","12.1331","0.0006","18.0903","0.0008","90","","100.282","0.002","90","","3736","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H52 Al N2 P -","- C41 H52 Al N2 P -","- C164 H208 Al4 N8 P4 -","4","1","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0631","0.05","","","0.1387","0.1516","","","","","","1.012","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122025","12.0366","0.0012","12.3508","0.0013","12.6164","0.0013","70.633","0.006","87.367","0.006","79.059","0.006","1737","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H51 Al N2 Si -","- C36 H51 Al N2 Si -","- C72 H102 Al2 N4 Si2 -","2","1","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0651","0.0484","","","0.1178","0.1277","","","","","","1.056","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122026","8.9717","0.0003","19.8654","0.0007","10.1194","0.0004","90","","113.658","0.002","90","","1651.97","0.11","200","2","200","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C33 H52 Al N3 -","- C33 H52.4 Al N3 -","- C66 H104.8 Al2 N6 -","2","0.5","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0629","0.0457","","","0.1173","0.1286","","","","","","1.026","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122027","16.3923","0.0004","19.852","0.0006","21.4153","0.0006","90","","90","","90","","6969","0.3","200","2","200","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C39 H57 Al N2 -","- C39 H58 Al N2 -","- C312 H464 Al8 N16 -","8","0.5","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0652","0.0453","","","0.1171","0.1336","","","","","","1.038","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122028","9.633","0.0005","16.9749","0.0008","20.9503","0.001","90","","93.418","0.003","90","","3419.7","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H49 Al N2 O0.25 Si -","- C35 H49 Al N2 O0.25 Si -","- C140 H196 Al4 N8 O Si4 -","4","1","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0898","0.0488","","","0.1168","0.1326","","","","","","1.039","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122029","13.2522","0.0003","16.5975","0.0004","15.2587","0.0003","90","","107.769","0.0012","90","","3196.1","0.12","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Al N2 O -","- C32 H48 Al N2 O -","- C128 H192 Al4 N8 O4 -","4","1","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0898","0.0581","","","0.1495","0.1708","","","","","","1.018","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122033","5.5232","0.0002","11.0315","0.0003","39.7408","0.0012","90","","93.57","0.002","90","","2416.68","0.13","150","","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 N2 O16 -","- C54 H54 N2 O16 -","- C108 H108 N4 O32 -","2","0.5","","Fracaroli, Alejandro M.; Furukawa, Hiroyasu; Suzuki, Mitsuharu; Dodd, Matthew; Okajima, Satoshi; Gándara, Felipe; Reimer, Jeffrey A.; Yaghi, Omar M.","Metal-organic frameworks with precisely designed interior for carbon dioxide capture in the presence of water.","Journal of the American Chemical Society","2014","136","25","8863","8866","10.1021/ja503296c","","","1.54178","CuKα","","0.071","0.0479","","","0.1086","0.1201","","","","","","1.059","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122034","7.9219","0.0004","10.4568","0.0006","16.3932","0.0008","100.853","0.0015","95.5763","0.0018","110.996","0.0016","1224.9","0.11","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O8 S2 -","- C24 H27 N O8 S2 -","- C48 H54 N2 O16 S4 -","2","1","","Fracaroli, Alejandro M.; Furukawa, Hiroyasu; Suzuki, Mitsuharu; Dodd, Matthew; Okajima, Satoshi; Gándara, Felipe; Reimer, Jeffrey A.; Yaghi, Omar M.","Metal-organic frameworks with precisely designed interior for carbon dioxide capture in the presence of water.","Journal of the American Chemical Society","2014","136","25","8863","8866","10.1021/ja503296c","","","0.71073","MoKα","","0.0521","0.0406","","","0.1004","0.1091","","","","","","1.057","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122035","16.1856","0.0003","12.0875","0.0002","23.5168","0.0005","90","","97.063","0.001","90","","4565.99","0.15","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H49 B F10 N P Si -","- C48 H49 B F10 N P Si -","- C192 H196 B4 F40 N4 P4 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","0.71073","MoKα","","0.0855","0.058","","","0.1233","0.1423","","","","","","1.054","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122036","12.1881","0.0007","18.7211","0.0006","18.1264","0.0003","90","","106.404","0.002","90","","3967.6","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H40 B F10 O P Si -","- C43 H40 B F10 O P Si -","- C172 H160 B4 F40 O4 P4 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","1.54178","CuKα","","0.0479","0.0417","","","0.1048","0.1097","","","","","","1.046","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122037","11.1782","0.0005","12.0098","0.0003","19.3517","0.0008","89.538","0.003","81.596","0.006","81.189","0.004","2539.43","0.17","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H45 B F10 P2 Si -","- C49 H45 B F10 P2 Si -","- C98 H90 B2 F20 P4 Si2 -","2","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","1.54178","CuKα","","0.0642","0.0554","","","0.1553","0.1623","","","","","","1.058","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122038","20.1442","0.0002","11.9215","0.0002","24.2551","0.0004","90","","102.698","0.001","90","","5682.38","0.15","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H49 B F10 P2 Si -","- C51 H49 B F10 P2 Si -","- C204 H196 B4 F40 P8 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","0.71073","MoKα","","0.1142","0.0766","","","0.1871","0.2069","","","","","","1.038","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122039","15.6091","0.0002","12.6864","0.0002","26.4298","0.0004","90","","103.002","0.001","90","","5099.53","0.13","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H54 B F10 N P2 Si -","- C54 H54 B F10 N P2 Si -","- C216 H216 B4 F40 N4 P8 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","0.71073","MoKα","","0.0787","0.0576","","","0.1176","0.1313","","","","","","1.084","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122040","11.2375","0.0002","13.2532","0.0003","24.0806","0.0005","92.337","0.003","90.876","0.002","104.432","0.003","3469.13","0.13","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H49 B2 Cl2 F25 P2 Si -","- C68 H49 B2 Cl2 F25 P2 Si -","- C136 H98 B4 Cl4 F50 P4 Si2 -","2","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","1.54178","CuKα","","0.0952","0.0564","","","0.1314","0.1472","","","","","","1.054","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122041","13.3931","0.0008","23.7899","0.0008","17.4115","0.0014","90","","94.329","0.004","90","","5531.8","0.6","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H45 B F10 N O2 P2 Si -","- C49 H45 B F10 N O2 P2 Si -","- C196 H180 B4 F40 N4 O8 P8 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","1.54178","CuKα","","0.0487","0.0455","","","0.1391","0.1425","","","","","","1.056","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122042","12.9178","0.0004","21.3427","0.0008","17.9706","0.0008","90","","100.694","0.002","90","","4868.5","0.3","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H49 B F10 N O2 P2 Si -","- C51 H49 B F10 N O2 P2 Si -","- C204 H196 B4 F40 N4 O8 P8 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","1.54178","CuKα","","0.1424","0.0612","","","0.1232","0.1656","","","","","","1.025","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122043","11.8792","0.0002","17.618","0.0002","12.1326","0.0002","90","","112.627","0.001","90","","2343.76","0.06","223","2","223","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C49 H46 B F10 N O2 P2 Si -","- C49 H46 B F10 N O2 P2 Si -","- C98 H92 B2 F20 N2 O4 P4 Si2 -","2","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","0.71073","MoKα","","0.0535","0.0479","","","0.1024","0.1073","","","","","","1.056","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122044","12.9937","0.0003","21.4524","0.0005","17.7094","0.0004","90","","100.488","0.002","90","","4854","0.2","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H50 B F10 N O2 P2 Si -","- C51 H50 B F10 N O2 P2 Si -","- C204 H200 B4 F40 N4 O8 P8 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","1.54178","CuKα","","0.0498","0.0432","","","0.1124","0.1173","","","","","","1.032","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122045","12.1747","0.0009","12.7333","0.0004","13.6728","0.0008","88.238","0.004","88.482","0.007","72.921","0.004","2024.8","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H37 B F10 N P Si -","- C42 H37 B F10 N P Si -","- C84 H74 B2 F20 N2 P2 Si2 -","2","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","1.54178","CuKα","","0.0542","0.044","","","0.1091","0.1171","","","","","","1.011","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122046","20.9782","0.0002","11.7319","0.0002","21.7537","0.0003","90","","115.971","0.001","90","","4813.23","0.12","223","2","223","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H47 B Cl2 F10 O P2 Si -","- C50 H47 B Cl2 F10 O P2 Si -","- C200 H188 B4 Cl8 F40 O4 P8 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","0.71073","MoKα","","0.0966","0.068","","","0.136","0.1538","","","","","","1.119","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122047","13.994","0.0002","20.2817","0.0004","18.9835","0.0003","90","","109.897","0.002","90","","5066.31","0.16","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 B F10 O P2 Si -","- C54 H52 B F10 O P2 Si -","- C216 H208 B4 F40 O4 P8 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","0.71073","MoKα","","0.0653","0.0501","","","0.1108","0.1222","","","","","","1.09","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122048","10.5872","0.0001","11.9366","0.0002","20.6634","0.0004","76.427","0.001","89.214","0.001","66.986","0.001","2327.47","0.07","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H45 B F10 P2 S Si -","- C49 H45 B F10 P2 S Si -","- C98 H90 B2 F20 P4 S2 Si2 -","2","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","0.71073","MoKα","","0.0615","0.0534","","","0.1284","0.1364","","","","","","1.082","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122049","9.8211","0.0004","15.0223","0.0006","17.9364","0.0007","100.453","0.0014","101.946","0.0016","96.728","0.0017","2512.85","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H86 N2 O2 Si2 -","- C54 H86 N2 O2 Si2 -","- C108 H172 N4 O4 Si4 -","2","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Aysin, Rinat R.; Leites, Larissa A.; Neudeck, Sven; Lübben, Jens; Dittrich, Birger; Holzmann, Nicole; Hermann, Markus; Frenking, Gernot","One-electron-mediated rearrangements of 2,3-disiladicarbene.","Journal of the American Chemical Society","2014","136","25","8919","8922","10.1021/ja504821u","","","1.54178","CuKα","","0.0441","0.0405","","","0.1062","0.1091","","","","","","1.066","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122050","12.0658","0.0006","23.2378","0.0012","17.4312","0.0009","90","","97.8342","0.0013","90","","4841.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H158 K2 N4 O4 Si4 -","- C102 H158 K2 N4 O4 Si4 -","- C204 H316 K4 N8 O8 Si8 -","2","0.5","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Aysin, Rinat R.; Leites, Larissa A.; Neudeck, Sven; Lübben, Jens; Dittrich, Birger; Holzmann, Nicole; Hermann, Markus; Frenking, Gernot","One-electron-mediated rearrangements of 2,3-disiladicarbene.","Journal of the American Chemical Society","2014","136","25","8919","8922","10.1021/ja504821u","","","1.54178","CuKα","","0.056","0.0473","","","0.1276","0.1364","","","","","","1.041","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122051","12.79","0.02","13.783","0.009","14.433","0.019","66.35","0.06","79.58","0.1","67.48","0.07","2152","5","23","2","23","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H70 N2 Si2 -","- C46 H70 N2 Si2 -","- C92 H140 N4 Si4 -","2","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Aysin, Rinat R.; Leites, Larissa A.; Neudeck, Sven; Lübben, Jens; Dittrich, Birger; Holzmann, Nicole; Hermann, Markus; Frenking, Gernot","One-electron-mediated rearrangements of 2,3-disiladicarbene.","Journal of the American Chemical Society","2014","136","25","8919","8922","10.1021/ja504821u","","","0.4769","synchrotron","","0.1285","0.0641","","","0.1418","0.1721","","","","","","1.035","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122052","9.07","0.0007","10.0886","0.0008","23.115","0.0018","90","","91.0402","0.0009","90","","2114.8","0.3","88","2","88","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","2","","Kou, Kevin G. M.; Le, Diane N.; Dong, Vy M.","Rh(I)-catalyzed intermolecular hydroacylation: enantioselective cross-coupling of aldehydes and ketoamides.","Journal of the American Chemical Society","2014","136","26","9471","9476","10.1021/ja504296x","","","0.71073","MoKα","","0.0368","0.0334","","","0.0844","0.0865","","","","","","1.054","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122053","43.3194","0.0012","16.5468","0.0004","26.151","0.0007","90","","126.807","0.001","90","","15008.3","0.7","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C150 H138 Au2 B2 Cl4 F54 N2 O2 P2 -","- C150 H138 Au2 B2 Cl4 F54 N2 O2 P2 -","- C600 H552 Au8 B8 Cl16 F216 N8 O8 P8 -","4","0.5","","Wang, Zhixun; Wang, Yanzhao; Zhang, Liming","Soft propargylic deprotonation: designed ligand enables au-catalyzed isomerization of alkynes to 1,3-dienes.","Journal of the American Chemical Society","2014","136","25","8887","8890","10.1021/ja503909c","","","0.71073","MoKα","","0.048","0.0327","","","0.0807","0.0928","","","","","","1.043","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122054","12.5918","0.0005","13.5842","0.0005","13.9675","0.0005","107.425","0.002","92.766","0.002","116.936","0.002","1984.13","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H56 Au Cl F3 N2 O P -","- C43 H56 Au Cl F3 N2 O P -","- C86 H112 Au2 Cl2 F6 N4 O2 P2 -","2","1","","Wang, Zhixun; Wang, Yanzhao; Zhang, Liming","Soft propargylic deprotonation: designed ligand enables au-catalyzed isomerization of alkynes to 1,3-dienes.","Journal of the American Chemical Society","2014","136","25","8887","8890","10.1021/ja503909c","","","0.71073","MoKα","","0.0376","0.0284","","","0.0539","0.0565","","","","","","0.987","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122055","16.735","0.0008","9.6686","0.0005","16.2668","0.0007","90","","93.017","0.002","90","","2628.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 Cl4 N2 O Pd -","- C23 H31 Cl4 N2 O Pd -","- C92 H124 Cl16 N8 O4 Pd4 -","4","1","","Broere, Daniël L J; de Bruin, Bas; Reek, Joost N. H.; Lutz, Martin; Dechert, Sebastian; van der Vlugt, Jarl Ivar","Intramolecular Redox-Active Ligand-to-Substrate Single-Electron Transfer: Radical Reactivity with a Palladium(II) Complex.","Journal of the American Chemical Society","2014","136","33","11574","11577","10.1021/ja502164f","","","0.71073","MoKα","","0.0318","0.0255","","","0.0619","0.0648","","","","","","1.03","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122056","9.0399","0.0005","9.7093","0.0005","23.0313","0.0013","98.706","0.005","90.011","0.005","117.738","0.004","1762.79","0.18","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H46 Cl Co N2 O1.5 Pd -","- C38 H46 Cl Co N2 O1.5 Pd -","- C76 H92 Cl2 Co2 N4 O3 Pd2 -","2","1","","Broere, Daniël L J; de Bruin, Bas; Reek, Joost N. H.; Lutz, Martin; Dechert, Sebastian; van der Vlugt, Jarl Ivar","Intramolecular Redox-Active Ligand-to-Substrate Single-Electron Transfer: Radical Reactivity with a Palladium(II) Complex.","Journal of the American Chemical Society","2014","136","33","11574","11577","10.1021/ja502164f","","","0.71073","MoKα","","0.063","0.0498","","","0.1214","0.1396","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122057","5.1028","0.0001","17.2111","0.0005","25.2391","0.0008","90","","90","","90","","2216.62","0.1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 F6 N O5 -","- C21 H25 F6 N O5 -","- C84 H100 F24 N4 O20 -","4","1","","Xu, Yingjie; Kaneko, Keiichi; Kanai, Motomu; Shibasaki, Masakatsu; Matsunaga, Shigeki","Regiodivergent Kinetic Resolution of Terminal and Internal rac-Aziridines with Malonates under Dinuclear Schiff Base Catalysis.","Journal of the American Chemical Society","2014","136","25","9190","9194","10.1021/ja5039165","","","1.54187","CuKα","","0.1279","0.0496","","","0.0562","0.0721","","","","","","0.801","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122058","25.1348","0.0005","25.1348","0.0005","25.1011","0.0005","90","","90","","120","","13733.3","0.5","110","2","110","2","","","","","","","","5","P 65","P 65","170","","","","- C84 H100 F24 N4 O20 -","- C84 H100 F24 N4 O20 -","- C504 H600 F144 N24 O120 -","6","1","","Xu, Yingjie; Kaneko, Keiichi; Kanai, Motomu; Shibasaki, Masakatsu; Matsunaga, Shigeki","Regiodivergent Kinetic Resolution of Terminal and Internal rac-Aziridines with Malonates under Dinuclear Schiff Base Catalysis.","Journal of the American Chemical Society","2014","136","25","9190","9194","10.1021/ja5039165","","","1.54187","CuKα","","0.1111","0.0752","","","0.1849","0.2331","","","","","","1.099","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122059","9.5211","0.0002","19.4189","0.0004","10.1228","0.0002","90","","96.4133","0.001","90","","1859.88","0.07","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Cl N O3 S -","- C19 H20 Cl N O3 S -","- C76 H80 Cl4 N4 O12 S4 -","4","2","","Ebe, Yusuke; Nishimura, Takahiro","Iridium-catalyzed annulation of salicylimines with 1,3-dienes.","Journal of the American Chemical Society","2014","136","26","9284","9287","10.1021/ja504990a","","","1.54187","CuKα","","0.0804","0.0589","","","0.13","0.1451","","","","","","0.972","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122060","30.209","0.003","43.725","0.004","53.802","0.005","71.624","0.005","86.963","0.006","76.89","0.005","65672","11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C470 H396 Cd12 F144 N73 O4 P23 S2 -","- C470 H396 Cd12 F73.875 N73 O4 P12 S2 -","- C1880 H1584 Cd48 F295.5 N292 O16 P48 S8 -","4","2","","Riddell, Imogen A.; Ronson, Tanya K.; Clegg, Jack K.; Wood, Christopher S.; Bilbeisi, Rana A.; Nitschke, Jonathan R.","Cation- and Anion-Exchanges Induce Multiple Distinct Rearrangements within Metallosupramolecular Architectures.","Journal of the American Chemical Society","2014","136","26","9491","9498","10.1021/ja504748g","","","1.54178","CuKα","","0.1898","0.1587","","","0.4192","0.4374","","","","","","1.499","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122061","90.44","0.006","30.343","0.002","48.451","0.004","90","","103.24","0.002","90","","129426","16","130","2","130","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C472 H396 As22 Cd12 F144 N74 O8 S4 -","- C471.25 H396 As17 Cd12 F111.25 N73.5 O6 S3.232 -","- C3770 H3168 As136 Cd96 F890 N588 O48 S25.856 -","8","1","","Riddell, Imogen A.; Ronson, Tanya K.; Clegg, Jack K.; Wood, Christopher S.; Bilbeisi, Rana A.; Nitschke, Jonathan R.","Cation- and Anion-Exchanges Induce Multiple Distinct Rearrangements within Metallosupramolecular Architectures.","Journal of the American Chemical Society","2014","136","26","9491","9498","10.1021/ja504748g","","","1.54178","CuKα","","0.1495","0.1272","","","0.346","0.3725","","","","","","1.434","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122062","80.943","0.009","26.679","0.003","45.354","0.005","90","","108.199","0.005","90","","93042","18","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C393 H335.5 Cd10 Cl19 F2 N61.5 O76 -","- C393 H335.06 Cd10 Cl14.5 F2 N61.5 O58 -","- C3144 H2680.48 Cd80 Cl116 F16 N492 O464 -","8","1","","Riddell, Imogen A.; Ronson, Tanya K.; Clegg, Jack K.; Wood, Christopher S.; Bilbeisi, Rana A.; Nitschke, Jonathan R.","Cation- and Anion-Exchanges Induce Multiple Distinct Rearrangements within Metallosupramolecular Architectures.","Journal of the American Chemical Society","2014","136","26","9491","9498","10.1021/ja504748g","","","0.6889","synchrotron","","0.1746","0.1226","","","0.3315","0.3524","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122063","42.0604","0.0017","25.907","0.0011","41.977","0.002","90","","90.464","0.002","90","","45739","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C332 H294 Cd8 Cl16 N58 O64 -","- C332 H294 Cd8 Cl12.5 N58 O50.05 -","- C1328 H1176 Cd32 Cl50 N232 O200.2 -","4","1","","Riddell, Imogen A.; Ronson, Tanya K.; Clegg, Jack K.; Wood, Christopher S.; Bilbeisi, Rana A.; Nitschke, Jonathan R.","Cation- and Anion-Exchanges Induce Multiple Distinct Rearrangements within Metallosupramolecular Architectures.","Journal of the American Chemical Society","2014","136","26","9491","9498","10.1021/ja504748g","","","0.6889","synchrotron","","0.1338","0.1087","","","0.3111","0.3354","","","","","","1.107","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122064","18.038","0.004","22.427","0.005","26.77","0.005","91.08","0.03","108.97","0.03","95.93","0.03","10171","4","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C150 H119 As4.88 F38.62 Fe4 N26 O9.88 S3.12 -","- C150 H119 As4.875 F29.25 Fe4 N26 O0.5 -","- C300 H238 As9.75 F58.5 Fe8 N52 O -","2","1","","Riddell, Imogen A.; Ronson, Tanya K.; Clegg, Jack K.; Wood, Christopher S.; Bilbeisi, Rana A.; Nitschke, Jonathan R.","Cation- and Anion-Exchanges Induce Multiple Distinct Rearrangements within Metallosupramolecular Architectures.","Journal of the American Chemical Society","2014","136","26","9491","9498","10.1021/ja504748g","","","0.71073","MoKα","","0.2071","0.1402","","","0.3626","0.3926","","","","","","1.174","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122065","12.2745","0.0005","16.2308","0.0006","16.6941","0.0007","62.182","0.002","75.337","0.002","79.711","0.002","2838.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Co(S2PhBr2)2","","","- C56 H32 Br8 Co2 S8 -","- C56 H32 Br8 Co2 S8 -","- C112 H64 Br16 Co4 S16 -","2","1","","Letko, Christopher S.; Panetier, Julien A.; Head-Gordon, Martin; Tilley, T. Don","Mechanism of the electrocatalytic reduction of protons with diaryldithiolene cobalt complexes.","Journal of the American Chemical Society","2014","136","26","9364","9376","10.1021/ja5019755","","","0.71073","MoKα","","0.1134","0.0657","","","0.1271","0.1476","","","","","","1.137","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122066","10.5253","0.0006","11.737","0.0006","16.2361","0.0009","106.109","0.002","106.605","0.002","91.902","0.002","1832.79","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H68 Br8 Co2 N S8 -","- C72 H68 Br8 Co2 N S8 -","- C72 H68 Br8 Co2 N S8 -","1","0.5","","Letko, Christopher S.; Panetier, Julien A.; Head-Gordon, Martin; Tilley, T. Don","Mechanism of the electrocatalytic reduction of protons with diaryldithiolene cobalt complexes.","Journal of the American Chemical Society","2014","136","26","9364","9376","10.1021/ja5019755","","","0.71073","MoKα","","0.0574","0.035","","","0.0662","0.0731","","","","","","1.034","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122067","8.9456","0.0005","17.3494","0.0011","18.658","0.0012","112.136","0.003","103.601","0.003","93.658","0.003","2569.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H60 Br4 Co N O1.5 S4 -","- C50 H60 Br4 Co N O1.5 S4 -","- C100 H120 Br8 Co2 N2 O3 S8 -","2","1","","Letko, Christopher S.; Panetier, Julien A.; Head-Gordon, Martin; Tilley, T. Don","Mechanism of the electrocatalytic reduction of protons with diaryldithiolene cobalt complexes.","Journal of the American Chemical Society","2014","136","26","9364","9376","10.1021/ja5019755","","","0.71073","MoKα","","0.045","0.0345","","","0.0771","0.0819","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122068","17.0015","0.001","20.7933","0.0011","18.611","0.0009","90","","108.792","0.003","90","","6228.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H88 Br4 Co N2 S4 -","- C60 H88 Br4 Co N2 S4 -","- C240 H352 Br16 Co4 N8 S16 -","4","1","","Letko, Christopher S.; Panetier, Julien A.; Head-Gordon, Martin; Tilley, T. Don","Mechanism of the electrocatalytic reduction of protons with diaryldithiolene cobalt complexes.","Journal of the American Chemical Society","2014","136","26","9364","9376","10.1021/ja5019755","","","0.71073","MoKα","","0.1157","0.0524","","","0.0994","0.119","","","","","","1.016","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122069","35.357","0.002","5.8724","0.0004","18.3834","0.0016","90","","120.376","0.008","90","","3293","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Co F4 K2 N2 S4 -","- C32 H22 Co F4 K2 N2 S4 -","- C128 H88 Co4 F16 K8 N8 S16 -","4","0.5","","Letko, Christopher S.; Panetier, Julien A.; Head-Gordon, Martin; Tilley, T. Don","Mechanism of the electrocatalytic reduction of protons with diaryldithiolene cobalt complexes.","Journal of the American Chemical Society","2014","136","26","9364","9376","10.1021/ja5019755","","","0.71073","MoKα","","0.0453","0.033","","","0.0686","0.074","","","","","","1.058","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122070","8.1573","0.0003","13.882","0.0005","14.4088","0.0005","85.314","0.002","87.963","0.002","77.283","0.002","1586.04","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H88 Co F4 N2 S4 -","- C60 H88 Co F4 N2 S4 -","- C60 H88 Co F4 N2 S4 -","1","0.5","","Letko, Christopher S.; Panetier, Julien A.; Head-Gordon, Martin; Tilley, T. Don","Mechanism of the electrocatalytic reduction of protons with diaryldithiolene cobalt complexes.","Journal of the American Chemical Society","2014","136","26","9364","9376","10.1021/ja5019755","","","0.71073","MoKα","","0.0488","0.042","","","0.1081","0.1121","","","","","","1.022","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122071","9.1467","0.0006","9.7853","0.0006","53.773","0.003","90","","93.581","0.001","90","","4803.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 Co N O4 S4 -","- C48 H64 Co N O4 S4 -","- C192 H256 Co4 N4 O16 S16 -","4","1","","Letko, Christopher S.; Panetier, Julien A.; Head-Gordon, Martin; Tilley, T. Don","Mechanism of the electrocatalytic reduction of protons with diaryldithiolene cobalt complexes.","Journal of the American Chemical Society","2014","136","26","9364","9376","10.1021/ja5019755","","","0.71073","MoKα","","0.0769","0.0629","","","0.1384","0.1444","","","","","","1.04","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122072","12.3089","0.0003","21.3544","0.0005","15.6623","0.0004","90","","92.315","0.001","90","","4113.46","0.17","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Co4 H52 K10 O94 V2 W18 -","- Co4 H4 K10 O94 V2 W18 -","- Co8 H8 K20 O188 V4 W36 -","2","0.5","","Lv, Hongjin; Song, Jie; Geletii, Yurii V.; Vickers, James W.; Sumliner, Jordan M.; Musaev, Djamaladdin G.; Kögerler, Paul; Zhuk, Petro F.; Bacsa, John; Zhu, Guibo; Hill, Craig L.","An exceptionally fast homogeneous carbon-free cobalt-based water oxidation catalyst.","Journal of the American Chemical Society","2014","136","26","9268","9271","10.1021/ja5045488","","","0.71073","MoKα","","0.0272","0.0243","","","0.059","0.0604","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122073","8.7807","0.0014","29.348","0.005","15.246","0.003","90","","99.83","0.003","90","","3871.2","1.2","93.15","","93.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H66 Al Li O2 Si2 -","- C36 H66 Al Li O2 Si2 -","- C144 H264 Al4 Li4 O8 Si8 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An anionic aluminabenzene bearing aromatic and ambiphilic contributions.","Journal of the American Chemical Society","2014","136","26","9276","9279","10.1021/ja504771d","","","0.71075","MoKα","","0.0815","0.0601","","","0.1368","0.1503","","","","","","1.067","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122074","13.009","0.003","28.949","0.006","13.956","0.003","90","","108.554","0.003","90","","4982.6","1.9","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H86 Al Li O6 Si2 -","- C44 H86 Al Li O6 Si2 -","- C176 H344 Al4 Li4 O24 Si8 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An anionic aluminabenzene bearing aromatic and ambiphilic contributions.","Journal of the American Chemical Society","2014","136","26","9276","9279","10.1021/ja504771d","","","0.71075","MoKα","","0.0937","0.0683","","","0.1438","0.1646","","","","","","1.139","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122075","12.9728","0.0019","34.25","0.006","15.554","0.002","90","","90","","90","","6910.9","1.8","113.15","","113.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H55 Al2 Cl3 Si2 -","- C27 H55 Al2 Cl3 Si2 -","- C216 H440 Al16 Cl24 Si16 -","8","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An anionic aluminabenzene bearing aromatic and ambiphilic contributions.","Journal of the American Chemical Society","2014","136","26","9276","9279","10.1021/ja504771d","","","0.71075","MoKα","","0.0698","0.0544","","","0.1087","0.1157","","","","","","1.117","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122076","14.153","0.002","13.6408","0.0019","17.227","0.003","90","","112.442","0.0017","90","","3073.9","0.8","113.15","","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H51 Al Cl N Si2 -","- C28 H51 Al Cl N Si2 -","- C112 H204 Al4 Cl4 N4 Si8 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An anionic aluminabenzene bearing aromatic and ambiphilic contributions.","Journal of the American Chemical Society","2014","136","26","9276","9279","10.1021/ja504771d","","","0.71075","MoKα","","0.0485","0.0412","","","0.096","0.1009","","","","","","1.122","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122077","13.647","0.002","14.003","0.003","15.254","0.003","89.876","0.009","64.988","0.004","86.602","0.009","2636.2","0.9","93.15","","93.15","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H88 Al Li N4 O Si2 -","- C52 H88 Al Li N4 O Si2 -","- C104 H176 Al2 Li2 N8 O2 Si4 -","2","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An anionic aluminabenzene bearing aromatic and ambiphilic contributions.","Journal of the American Chemical Society","2014","136","26","9276","9279","10.1021/ja504771d","","","0.71075","MoKα","","0.1202","0.0774","","","0.1733","0.2041","","","","","","1.074","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122078","15.492","0.003","14.104","0.002","18.855","0.003","90","","100.533","0.003","90","","4050.4","1.2","93.15","","93.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H69 Al N2 Si2 -","- C40 H69 Al N2 Si2 -","- C160 H276 Al4 N8 Si8 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An anionic aluminabenzene bearing aromatic and ambiphilic contributions.","Journal of the American Chemical Society","2014","136","26","9276","9279","10.1021/ja504771d","","","0.71075","MoKα","","0.1008","0.0782","","","0.1983","0.2172","","","","","","1.111","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122079","16.384","0.004","13.579","0.003","20.445","0.005","90","","106.926","0.004","90","","4351.5","1.8","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 Fe K N2 O8 S2 -","- C12 H26 Fe K N2 O8 S2 -","- C96 H208 Fe8 K8 N16 O64 S16 -","8","1","","Tsou, Chih-Chin; Chiu, Wei-Chun; Ke, Chun-Hung; Tsai, Jia-Chun; Wang, Yun-Ming; Chiang, Ming-Hsi; Liaw, Wen-Feng","Iron(III) Bound by Hydrosulfide Anion Ligands: NO-Promoted Stabilization of the [Fe(III)-SH] Motif.","Journal of the American Chemical Society","2014","136","26","9424","9433","10.1021/ja503683y","","","0.71073","MoKα","","0.0868","0.0432","","","0.1043","0.1307","","","","","","0.864","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122080","34.5442","0.0008","9.0153","0.0002","22.9192","0.0005","90","","95.511","0.001","90","","7104.7","0.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Fe N3 O2 P2 S2 -","- C36 H32 Fe N3 O2 P2 S2 -","- C288 H256 Fe8 N24 O16 P16 S16 -","8","1","","Tsou, Chih-Chin; Chiu, Wei-Chun; Ke, Chun-Hung; Tsai, Jia-Chun; Wang, Yun-Ming; Chiang, Ming-Hsi; Liaw, Wen-Feng","Iron(III) Bound by Hydrosulfide Anion Ligands: NO-Promoted Stabilization of the [Fe(III)-SH] Motif.","Journal of the American Chemical Society","2014","136","26","9424","9433","10.1021/ja503683y","","","0.71073","MoKα","","0.0704","0.0522","","","0.1523","0.1746","","","","","","1.103","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122081","21.6622","0.0006","13.1205","0.0004","23.844","0.0007","90","","103.024","0.001","90","","6602.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H62 Fe2 N4 O2 P4 S4 -","- C72 H62 Fe2 N4 O2 P4 S4 -","- C288 H248 Fe8 N16 O8 P16 S16 -","4","1","","Tsou, Chih-Chin; Chiu, Wei-Chun; Ke, Chun-Hung; Tsai, Jia-Chun; Wang, Yun-Ming; Chiang, Ming-Hsi; Liaw, Wen-Feng","Iron(III) Bound by Hydrosulfide Anion Ligands: NO-Promoted Stabilization of the [Fe(III)-SH] Motif.","Journal of the American Chemical Society","2014","136","26","9424","9433","10.1021/ja503683y","","","0.71073","MoKα","","0.0476","0.0342","","","0.0856","0.0928","","","","","","1.014","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122082","21.6245","0.0011","13.2431","0.0007","23.8643","0.0011","90","","102.949","0.0012","90","","6660.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Fe N P2 S3 -","- C36 H32 Fe N P2 S3 -","- C288 H256 Fe8 N8 P16 S24 -","8","2","","Tsou, Chih-Chin; Chiu, Wei-Chun; Ke, Chun-Hung; Tsai, Jia-Chun; Wang, Yun-Ming; Chiang, Ming-Hsi; Liaw, Wen-Feng","Iron(III) Bound by Hydrosulfide Anion Ligands: NO-Promoted Stabilization of the [Fe(III)-SH] Motif.","Journal of the American Chemical Society","2014","136","26","9424","9433","10.1021/ja503683y","","","0.71073","MoKα","","0.0724","0.0406","","","0.0857","0.0972","","","","","","1","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122083","33.628","0.013","15.646","0.006","17.339","0.005","90","","113.81","0.013","90","","8346","5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H42 Cl Cr O2 P2 Rh -","- C48 H42 Cl Cr O2 P2 Rh -","- C384 H336 Cl8 Cr8 O16 P16 Rh8 -","8","1","","Ogasawara, Masamichi; Tseng, Ya-Yi; Arae, Sachie; Morita, Tomotaka; Nakaya, Takeshi; Wu, Wei-Yi; Takahashi, Tamotsu; Kamikawa, Ken","Phosphine-Olefin Ligands Based on a Planar-Chiral (π-Arene)chromium Scaffold: Design, Synthesis, and Application in Asymmetric Catalysis.","Journal of the American Chemical Society","2014","136","26","9377","9384","10.1021/ja503060e","","","0.71075","MoKα","","0.1332","0.0572","","","0.1407","0.1813","","","","","","0.969","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122084","13.7952","0.0018","13.7952","0.0018","15.095","0.003","90","","90","","90","","2872.7","0.8","33","2","33","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C120 H120 B2 F8 N16 O16 Ru4 -","2","0.125","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.1359","0.1222","","","0.2218","0.2291","","","","","","1.93","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122085","13.6662","0.0011","13.6662","0.0011","15.052","0.002","90","","90","","90","","2811.2","0.5","100","2","100","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C120 H120 B2 F8 N16 O16 Ru4 -","2","0.125","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.11","0.0983","","","0.2062","0.2123","","","","","","1.778","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122086","13.7952","0.0018","13.7952","0.0018","15.095","0.003","90","","90","","90","","2872.7","0.8","213","2","213","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","Ru2(m-DAniF)4BF4","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C120 H120 B2 F8 N16 O16 Ru4 -","2","0.125","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.0807","0.0719","","","0.1649","0.1697","","","","","","1.397","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122087","13.8927","0.0005","13.8927","0.0005","15.0744","0.0011","90","","90","","90","","2909.5","0.3","298","2","298","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C120 H120 B2 F8 N16 O16 Ru4 -","2","0.125","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.0608","0.0541","","","0.1408","0.1452","","","","","","1.721","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122088","34.572","0.006","12.945","0.002","12.682","0.002","90","","90","","90","","5675.6","1.6","27","2","27","2","","","","","","","","7","P n a 21","P 2c -2n","33","Ru2(p-DAniF)4(BF)4","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C240 H240 B4 F16 N32 O32 Ru8 -","4","1","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.0818","0.0595","","","0.1272","0.1353","","","","","","1.873","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122089","34.973","0.008","13.011","0.003","12.766","0.003","90","","90","","90","","5809","2","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","Ru2(p-DAniF)4(BF)4","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C240 H240 B4 F16 N32 O32 Ru8 -","4","1","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.0623","0.039","","","0.0823","0.0926","","","","","","1.202","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122090","34.973","0.008","13.011","0.003","12.766","0.003","90","","90","","90","","5809","2","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","Ru2(p-DAniF)4(BF)4","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C240 H240 B4 F16 N32 O32 Ru8 -","4","1","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.0853","0.0441","","","0.0848","0.1007","","","","","","1.144","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122091","5.9971","0.0015","9.656","0.002","13.868","0.003","101.487","0.005","101.758","0.005","93.65","0.005","765.9","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C38 H44 O4 -","2","1","","Blaisdell, Thomas P.; Caya, Thomas C.; Zhang, Liang; Sanz-Marco, Amparo; Morken, James P.","Hydroxyl-directed stereoselective diboration of alkenes.","Journal of the American Chemical Society","2014","136","26","9264","9267","10.1021/ja504228p","","","0.71073","MoKα","","0.1142","0.0563","","","0.1102","0.1303","","","","","","1.034","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122092","7.8788","0.0004","16.7537","0.0009","25.9266","0.0013","90","","90","","90","","3422.3","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N-diethyl-4-(4-methylstyryl)benzamide","","- C20 H23 N O -","- C20 H22 N O -","- C160 H176 N8 O8 -","8","2","","Iwasaki, Takanori; Miyata, Yoshinori; Akimoto, Ryo; Fujii, Yuuki; Kuniyasu, Hitoshi; Kambe, Nobuaki","Diarylrhodates as promising active catalysts for the arylation of vinyl ethers with grignard reagents.","Journal of the American Chemical Society","2014","136","26","9260","9263","10.1021/ja5043534","","x-ray","1.54187","CuKα","","","0.096","","","","0.3222","","","","","","1.026","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122093","15.564","0.004","16.3801","0.0016","13.74","0.008","90","","109.64","0.04","90","","3299","2","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","RhPh2(cod) Li(dme)3","tris(1,2-dimethoxyethane)lithium (h4-1,5-cyclooctadiene)diphenylrhodate(I)","","- C32 H52 Li O6 Rh -","- C32 H44 Li O6 Rh -","- C128 H176 Li4 O24 Rh4 -","4","0.5","","Iwasaki, Takanori; Miyata, Yoshinori; Akimoto, Ryo; Fujii, Yuuki; Kuniyasu, Hitoshi; Kambe, Nobuaki","Diarylrhodates as promising active catalysts for the arylation of vinyl ethers with grignard reagents.","Journal of the American Chemical Society","2014","136","26","9260","9263","10.1021/ja5043534","","","0.71075","MoKα","","","0.0603","","","","0.1416","","","","","","1.004","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122094","8.5537","0.001","31.875","0.003","10.6466","0.0012","90","","90.014","0.002","90","","2902.8","0.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C9 H41 Cl Co La N3 O24 P3 -","- C9 H41 Cl Co La N3 O24 P3 -","- C36 H164 Cl4 Co4 La4 N12 O96 P12 -","4","1","","Bao, Song-Song; Otsubo, Kazuya; Taylor, Jared M.; Jiang, Zheng; Zheng, Li-Min; Kitagawa, Hiroshi","Enhancing Proton Conduction in 2D Co-La Coordination Frameworks by Solid-State Phase Transition.","Journal of the American Chemical Society","2014","136","26","9292","9295","10.1021/ja505916c","","","0.71073","MoKα","","0.0474","0.0349","","","0.078","0.082","","","","","","1","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122095","14.8972","0.0006","16.7644","0.0008","37.8928","0.0016","90","","91.327","0.004","90","","9460.9","0.7","179.98","0.16","179.98","0.16","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H11.5 F20 N6 O4 Zn -","- C49.5 H11.5 F20 N6 O4 Zn -","- C396 H92 F160 N48 O32 Zn8 -","8","1","","Ke, Xian-Sheng; Chang, Yi; Chen, Jia-Zhen; Tian, Jiangwei; Mack, John; Cheng, Xin; Shen, Zhen; Zhang, Jun-Long","Porphodilactones as Synthetic Chlorophylls: Relative Orientation of β-Substituents on a Pyrrolic Ring Tunes NIR Absorption.","Journal of the American Chemical Society","2014","136","27","9598","9607","10.1021/ja502729x","","","0.71073","MoKα","","0.1126","0.0802","","","0.2278","0.2551","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122096","11.871","0.002","13.856","0.003","17.697","0.004","100.09","0.03","107.95","0.03","97.64","0.03","2671.5","1.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C52.5 H18 F20 N6 O5.5 Zn -","- C52.5 H14 F20 N6 O5.5 Zn -","- C105 H28 F40 N12 O11 Zn2 -","2","1","","Ke, Xian-Sheng; Chang, Yi; Chen, Jia-Zhen; Tian, Jiangwei; Mack, John; Cheng, Xin; Shen, Zhen; Zhang, Jun-Long","Porphodilactones as Synthetic Chlorophylls: Relative Orientation of β-Substituents on a Pyrrolic Ring Tunes NIR Absorption.","Journal of the American Chemical Society","2014","136","27","9598","9607","10.1021/ja502729x","","","0.71073","synchrotron","","0.0721","0.0672","","","0.2108","0.2162","","","","","","1.11","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122097","12.5589","0.0003","14.6629","0.0005","20.7661","0.0005","96.7468","0.0012","101.435","0.0008","96.4981","0.0012","3685.45","0.18","173.1","","173.1","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Mo2 N12 P4 -","- C64 H107 Mo2 N12 P4 -","- C128 H214 Mo4 N24 P8 -","2","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Kamaru, Nobuaki; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand.","Journal of the American Chemical Society","2014","136","27","9719","9731","10.1021/ja5044243","","","0.71075","MoKα","","","0.0527","","","","0.1241","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122098","14.832","0.003","15.833","0.003","17.039","0.003","95.687","0.004","114.83","0.004","106.543","0.004","3369.4","1.1","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H102 Mo2 N12 P4 -","- C57 H102 Mo2 N12 P4 -","- C114 H204 Mo4 N24 P8 -","2","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Kamaru, Nobuaki; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand.","Journal of the American Chemical Society","2014","136","27","9719","9731","10.1021/ja5044243","","","0.71075","MoKα","","","0.046","","","","0.0964","","","","","","1.012","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122099","24.7796","0.0009","21.6001","0.0009","13.6238","0.0006","90","","103.738","0.001","90","","7083.4","0.5","173.1","","173.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H118 Mo2 N12 P4 -","- C60 H118 Mo2 N12 P4 -","- C240 H472 Mo8 N48 P16 -","4","0.5","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Kamaru, Nobuaki; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand.","Journal of the American Chemical Society","2014","136","27","9719","9731","10.1021/ja5044243","","","0.71075","MoKα","","","0.042","","","","0.1031","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122100","31.2829","0.0012","10.0768","0.0004","21.9085","0.0007","90","","111.716","0.0009","90","","6416.1","0.4","183","","183","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H104 Mo2 N12 O2 P4 -","- C54 H90 Mo2 N12 O2 P4 -","- C216 H360 Mo8 N48 O8 P16 -","4","0.5","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Kamaru, Nobuaki; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand.","Journal of the American Chemical Society","2014","136","27","9719","9731","10.1021/ja5044243","","","0.71075","MoKα","","","0.0719","","","","0.0888","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122101","13.2161","0.0006","14.3784","0.0008","15.8066","0.0007","90","","90","","90","","3003.7","0.3","173.1","","173.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H45 Cl3 Mo N P2 -","- C24 H45 Cl3 Mo N P2 -","- C96 H180 Cl12 Mo4 N4 P8 -","4","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Kamaru, Nobuaki; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand.","Journal of the American Chemical Society","2014","136","27","9719","9731","10.1021/ja5044243","","","0.71075","MoKα","","","0.0273","","","","0.0743","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122102","17.0832","0.0003","26.3313","0.0005","30.349","0.0005","90","","90","","90","","13651.7","0.4","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C103 H176 Cr7 F3 N2 O38 Zn -","- C103 H176 Cr7 F3 N2 O38 Zn -","- C412 H704 Cr28 F12 N8 O152 Zn4 -","4","1","","Garlatti, Elena; Albring, Morten A.; Baker, Michael L.; Docherty, Rebecca J.; Mutka, Hannu; Guidi, Tatiana; Garcia Sakai, Victoria; Whitehead, George F. S.; Pritchard, Robin G.; Timco, Grigore A.; Tuna, Floriana; Amoretti, Giuseppe; Carretta, Stefano; Santini, Paolo; Lorusso, Giulia; Affronte, Marco; McInnes, Eric J. L.; Collison, David; Winpenny, Richard E. P.","A Detailed Study of the Magnetism of Chiral {Cr7M} Rings: An Investigation into Parametrization and Transferability of Parameters.","Journal of the American Chemical Society","2014","136","27","9763","9772","10.1021/ja5047445","","","1.54178","CuKα","","0.0629","0.0495","","","0.1192","0.1267","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122103","17.1445","0.0003","26.2806","0.0004","30.3604","0.0003","90","","90","","90","","13679.4","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C103 H176 Cr7 F3 Mn N2 O38 -","- C103 H176 Cr7 F3 Mn N2 O38 -","- C412 H704 Cr28 F12 Mn4 N8 O152 -","4","1","","Garlatti, Elena; Albring, Morten A.; Baker, Michael L.; Docherty, Rebecca J.; Mutka, Hannu; Guidi, Tatiana; Garcia Sakai, Victoria; Whitehead, George F. S.; Pritchard, Robin G.; Timco, Grigore A.; Tuna, Floriana; Amoretti, Giuseppe; Carretta, Stefano; Santini, Paolo; Lorusso, Giulia; Affronte, Marco; McInnes, Eric J. L.; Collison, David; Winpenny, Richard E. P.","A Detailed Study of the Magnetism of Chiral {Cr7M} Rings: An Investigation into Parametrization and Transferability of Parameters.","Journal of the American Chemical Society","2014","136","27","9763","9772","10.1021/ja5047445","","x-ray","1.54178","CuKα","","0.0716","0.0561","","","0.1361","0.1447","","","","","","1.027","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122104","9.25","0.003","10.658","0.01","12.088","0.009","100.23","0.05","99.97","0.03","91.24","0.04","1153.4","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Tetrachlorodisilene stabilized by cAAC","","","- C46 H70 Cl4 N2 Si2 -","- C46 H70 Cl4 N2 Si2 -","- C46 H70 Cl4 N2 Si2 -","1","0.5","","Mondal, Kartik Chandra; Dittrich, Birger; Maity, Bholanath; Koley, Debasis; Roesky, Herbert W.","Cyclic Alkyl(amino) Carbene Stabilized Biradical of Disilicontetrachloride.","Journal of the American Chemical Society","2014","136","27","9568","9571","10.1021/ja505817u","","","0.7293","","","0.0621","0.0598","","","0.2236","0.2245","","","","","","1.143","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122105","10.969","0.004","11.499","0.004","19.311","0.007","90","","97.829","0.004","90","","2413","1.5","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 Cl F20 Sb -","- C24 Cl F20 Sb -","- C96 Cl4 F80 Sb4 -","4","1","","Pan, Baofei; Gabbaï, François P","[Sb(C6F5)4][B(C6F5)4]: An Air Stable, Lewis Acidic Stibonium Salt That Activates Strong Element-Fluorine Bonds.","Journal of the American Chemical Society","2014","136","27","9564","9567","10.1021/ja505214m","","","0.71073","MoKα","","0.0518","0.0356","","","0.0739","0.0813","","","","","","1.005","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122106","17.66","0.002","20.429","0.003","15.602","0.002","90","","93.314","0.002","90","","5619.4","1.3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 F23 O3 S Sb -","- C25 F23 O3 S Sb -","- C200 F184 O24 S8 Sb8 -","8","2","","Pan, Baofei; Gabbaï, François P","[Sb(C6F5)4][B(C6F5)4]: An Air Stable, Lewis Acidic Stibonium Salt That Activates Strong Element-Fluorine Bonds.","Journal of the American Chemical Society","2014","136","27","9564","9567","10.1021/ja505214m","","","0.71073","MoKα","","0.0509","0.0388","","","0.1202","0.1363","","","","","","1.04","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122107","16.836","0.003","16.836","0.003","8.201","0.003","90","","90","","90","","2324.6","1","110","2","110","2","","","","","","","","4","I -4","I -4","82","","","","- C48 B F40 Sb -","- C48 B F40 Sb -","- C96 B2 F80 Sb2 -","2","0.25","","Pan, Baofei; Gabbaï, François P","[Sb(C6F5)4][B(C6F5)4]: An Air Stable, Lewis Acidic Stibonium Salt That Activates Strong Element-Fluorine Bonds.","Journal of the American Chemical Society","2014","136","27","9564","9567","10.1021/ja505214m","","","0.71073","MoKα","","0.0279","0.0259","","","0.0583","0.0598","","","","","","1.015","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4122108","8.25345","0.00018","7.57776","0.00017","17.1862","0.0003","90","","94.4721","0.0018","90","","1071.6","0.04","110","2","110","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C8 H6 Cl2 Cu I N -","- C8 H6 Cl2 Cu I N -","- C32 H24 Cl8 Cu4 I4 N4 -","4","1","","Pitts, Cody Ross; Bloom, Steven; Woltornist, Ryan; Auvenshine, Dillon Jay; Ryzhkov, Lev R.; Siegler, Maxime A.; Lectka, Thomas","Direct, Catalytic Monofluorination of sp(3) C-H Bonds: A Radical-Based Mechanism with Ionic Selectivity.","Journal of the American Chemical Society","2014","136","27","9780","9791","10.1021/ja505136j","","","0.71073","MoKα","","0.0186","0.0167","","","0.0389","0.0398","","","","","","1.051","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122109","13.5202","0.0002","35.6701","0.0004","17.4181","0.0002","90","","110.741","0.001","90","","7855.76","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H82 Al3 Br9 Cl2 N8 -","- C63 H82 Al3 Br9 Cl2 N8 -","- C252 H328 Al12 Br36 Cl8 N32 -","4","1","","Tan, Gengwen; Szilvási, Tibor; Inoue, Shigeyoshi; Blom, Burgert; Driess, Matthias","An elusive hydridoaluminum(i) complex for facile C-h and C-o bond activation of ethers and access to its isolable hydridogallium(i) analogue: syntheses, structures, and theoretical studies.","Journal of the American Chemical Society","2014","136","27","9732","9742","10.1021/ja504448v","","","1.54178","CuKα","","0.0595","0.0513","","","0.115","0.1213","","","","","","1.173","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122110","14.5976","0.0002","15.2398","0.0002","23.99","0.0003","90","","100.199","0.001","90","","5252.59","0.12","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H72 Al Br Fe N4 O8 -","- C51 H72 Al Br Fe N4 O8 -","- C204 H288 Al4 Br4 Fe4 N16 O32 -","4","1","","Tan, Gengwen; Szilvási, Tibor; Inoue, Shigeyoshi; Blom, Burgert; Driess, Matthias","An elusive hydridoaluminum(i) complex for facile C-h and C-o bond activation of ethers and access to its isolable hydridogallium(i) analogue: syntheses, structures, and theoretical studies.","Journal of the American Chemical Society","2014","136","27","9732","9742","10.1021/ja504448v","","","1.54178","CuKα","","0.0737","0.0582","","","0.166","0.1779","","","","","","1.113","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122111","22.8641","0.0002","8.5709","0.0001","26.0274","0.0002","90","","90","","90","","5100.48","0.08","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C51 H55 Al Fe N4 O8 -","- C51 H55 Al Fe N4 O8 -","- C204 H220 Al4 Fe4 N16 O32 -","4","1","","Tan, Gengwen; Szilvási, Tibor; Inoue, Shigeyoshi; Blom, Burgert; Driess, Matthias","An elusive hydridoaluminum(i) complex for facile C-h and C-o bond activation of ethers and access to its isolable hydridogallium(i) analogue: syntheses, structures, and theoretical studies.","Journal of the American Chemical Society","2014","136","27","9732","9742","10.1021/ja504448v","","","1.54178","CuKα","","0.0573","0.0539","","","0.1378","0.1415","","","","","","0.849","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122112","15.7084","0.0005","12.9298","0.0004","20.6112","0.0008","90","","106.683","0.004","90","","4010.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H44 Cl7 Ga N4 -","- C33 H44 Cl7 Ga N4 -","- C132 H176 Cl28 Ga4 N16 -","4","1","","Tan, Gengwen; Szilvási, Tibor; Inoue, Shigeyoshi; Blom, Burgert; Driess, Matthias","An elusive hydridoaluminum(i) complex for facile C-h and C-o bond activation of ethers and access to its isolable hydridogallium(i) analogue: syntheses, structures, and theoretical studies.","Journal of the American Chemical Society","2014","136","27","9732","9742","10.1021/ja504448v","","","0.71073","MoKα","","0.0815","0.0547","","","0.0953","0.104","","","","","","1.05","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122113","17.1454","0.0001","16.9499","0.0001","16.2514","0.0001","90","","107.154","0.001","90","","4512.77","0.05","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C47 H50 B0 Cl F2 Fe Ga N4 O4 -","- C47 H50 Cl F2 Fe Ga N4 O4 -","- C188 H200 Cl4 F8 Fe4 Ga4 N16 O16 -","4","1","","Tan, Gengwen; Szilvási, Tibor; Inoue, Shigeyoshi; Blom, Burgert; Driess, Matthias","An elusive hydridoaluminum(i) complex for facile C-h and C-o bond activation of ethers and access to its isolable hydridogallium(i) analogue: syntheses, structures, and theoretical studies.","Journal of the American Chemical Society","2014","136","27","9732","9742","10.1021/ja504448v","","","1.54178","CuKα","","0.0331","0.031","","","0.0864","0.0897","","","","","","1.033","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122114","18.2078","0.0004","15.612","0.0003","15.6949","0.0004","90","","106.429","0.002","90","","4279.28","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H57 Fe Ga N4 O6 -","- C43 H57 Fe Ga N4 O6 -","- C172 H228 Fe4 Ga4 N16 O24 -","4","1","","Tan, Gengwen; Szilvási, Tibor; Inoue, Shigeyoshi; Blom, Burgert; Driess, Matthias","An elusive hydridoaluminum(i) complex for facile C-h and C-o bond activation of ethers and access to its isolable hydridogallium(i) analogue: syntheses, structures, and theoretical studies.","Journal of the American Chemical Society","2014","136","27","9732","9742","10.1021/ja504448v","","","1.54178","CuKα","","0.1146","0.0762","","","0.1944","0.2299","","","","","","1.06","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122115","10.5213","0.0002","13.7538","0.0003","20.8719","0.0004","90","","101.581","0.002","90","","2958.84","0.1","123","2","123.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 B10 N O2 Pt S -","- C25 H35 B10 N O2 Pt S -","- C100 H140 B40 N4 O8 Pt4 S4 -","4","1","","Prokhorov, Anton M.; Hofbeck, Thomas; Czerwieniec, Rafal; Suleymanova, Alfiya F.; Kozhevnikov, Dmitry N.; Yersin, Hartmut","Brightly Luminescent Pt(II) Pincer Complexes with a Sterically Demanding Carboranyl-Phenylpyridine Ligand: A New Material Class for Diverse Optoelectronic Applications.","Journal of the American Chemical Society","2014","136","27","9637","9642","10.1021/ja503220w","","","1.54184","CuKα","","0.0499","0.0457","","","0.1196","0.1236","","","","","","1.065","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122116","17.119","0.003","11.551","0.002","14.902","0.003","90","","118.09","0.03","90","","2599.6","1.1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28.5 H21 Cl N6 Zn -","- C28.5 H21 Cl N6 Zn -","- C114 H84 Cl4 N24 Zn4 -","4","1","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.0615","0.0506","","0.1679","0.139","","","","0.899","0.918","0.918","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122117","8.966","0.0013","8.966","0.0013","39.873","0.008","90","","90","","90","","3205.4","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 Cu N10 S4 -","- C32 H16 Cu N10 S4 -","- C128 H64 Cu4 N40 S16 -","4","1","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.0857","0.0473","","","0.0984","0.1153","","","","","","1.04","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122118","8.937","0.0013","8.937","0.0013","40.324","0.008","90","","90","","90","","3220.7","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 N10 S4 Zn -","- C32 H16 N10 S4 Zn -","- C128 H64 N40 S16 Zn4 -","4","1","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.0646","0.0402","","","0.0897","0.1048","","","","","","1.017","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122119","8.917","0.0013","8.917","0.0013","40.516","0.008","90","","90","","90","","3221.5","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 Fe N10 S4 -","- C32 H16 Fe N10 S4 -","- C128 H64 Fe4 N40 S16 -","4","1","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.1688","0.0787","","","0.1776","0.2214","","","","","","1.056","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122120","8.898","0.0013","8.898","0.0013","40.385","0.008","90","","90","","90","","3197.5","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 Co N10 S4 -","- C32 H16 Co N10 S4 -","- C128 H64 Co4 N40 S16 -","4","1","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.0384","0.0312","","","0.0819","0.0875","","","","","","1.076","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122121","8.8643","0.0013","8.8643","0.0013","40.515","0.008","90","","90","","90","","3183.5","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 N10 Ni S4 -","- C32 H16 N10 Ni S4 -","- C128 H64 N40 Ni4 S16 -","4","1","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.1746","0.1171","","","0.3274","0.3478","","","","","","2.193","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122122","8.777","0.002","15.636","0.003","34.891","0.007","90","","90","","90","","4788.3","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 Co N6 -","- C28 H20 Co N6 -","- C224 H160 Co8 N48 -","8","2","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.0407","0.0314","","0.0725","0.0688","","","","0.966","1.002","1.002","","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122123","7.4345","0.0015","18.461","0.004","12.052","0.002","90","","107.77","0.03","90","","1575.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 N5 S2 -","- C16 H9 N5 S2 -","- C64 H36 N20 S8 -","4","1","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.0912","0.0473","","","0.1156","0.1442","","","","","","0.93","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122125","10.425","0.002","16.352","0.004","19.299","0.004","74.687","0.004","82.887","0.005","78.48","0.005","3100.4","1.2","173","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H12 Mn4 N36 O15 -","- C84 H12 Mn4 N36 O15 -","- C84 H12 Mn4 N36 O15 -","1","0.5","","Dinca, Mircea; Yu, Anta F.; Long, Jeffrey R.","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.775","synchrotron","","0.2074","0.1312","","","0.324","0.366","","","","","","0.964","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122126","22.249","0.002","7.0528","0.0008","13.5747","0.0015","90","","90","","90","","2130.1","0.4","173","2","173","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C23 H8 Cu2 N18 O8 -","- C23 H8 Cu2 N18 O8 -","- C46 H16 Cu4 N36 O16 -","2","0.125","","Dinca, Mircea; Yu, Anta F.; Long, Jeffrey R.","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.775","Synchrotron","","0.0745","0.0686","","","0.1966","0.2015","","","","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122129","11.7831","0.0005","9.6543","0.0004","17.6007","0.0007","90","","96.297","0.002","90","","1990.13","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C96 H92 N4 O8 S4 -","4","1","","Theunissen, Cédric; Métayer, Benoît; Henry, Nicolas; Compain, Guillaume; Marrot, Jérome; Martin-Mingot, Agnès; Thibaudeau, Sébastien; Evano, Gwilherm","Keteniminium ion-initiated cascade cationic polycyclization.","Journal of the American Chemical Society","2014","136","36","12528","12531","10.1021/ja504818p","","","0.71073","MoKα","","0.0526","0.0416","","","0.1183","0.1294","","","","","","1.053","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122130","11.0053","0.0015","10.9876","0.0014","16.699","0.002","90","","107.056","0.006","90","","1930.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C96 H92 N4 O8 S4 -","4","1","","Theunissen, Cédric; Métayer, Benoît; Henry, Nicolas; Compain, Guillaume; Marrot, Jérome; Martin-Mingot, Agnès; Thibaudeau, Sébastien; Evano, Gwilherm","Keteniminium ion-initiated cascade cationic polycyclization.","Journal of the American Chemical Society","2014","136","36","12528","12531","10.1021/ja504818p","","","0.71073","MoKα","","0.0409","0.0344","","","0.0933","0.0984","","","","","","1.06","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122131","5.3653","0.0012","15.987","0.003","8.8569","0.0018","90","","99.018","0.009","90","","750.3","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","","Theunissen, Cédric; Métayer, Benoît; Henry, Nicolas; Compain, Guillaume; Marrot, Jérome; Martin-Mingot, Agnès; Thibaudeau, Sébastien; Evano, Gwilherm","Keteniminium ion-initiated cascade cationic polycyclization.","Journal of the American Chemical Society","2014","136","36","12528","12531","10.1021/ja504818p","","","0.71073","MoKα","","0.1039","0.0943","","","0.2378","0.2459","","","","","","1.199","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122132","15.4235","0.0002","17.2123","0.0002","27.4854","0.0003","90","","101.153","0.001","90","","7158.85","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H27 Au3 N6 S3 -","- C39 H27 Au3 N6 S3 -","- C312 H216 Au24 N48 S24 -","8","2","","Ni, Wen-Xiu; Qiu, Yu-Min; Li, Mian; Zheng, Ji; Sun, Raymond Wai-Yin; Zhan, Shun-Ze; Ng, Seik Weng; Li, Dan","Metallophilicity-driven dynamic aggregation of a phosphorescent gold(i)-silver(i) cluster prepared by solution-based and mechanochemical approaches.","Journal of the American Chemical Society","2014","136","27","9532","9535","10.1021/ja5025113","","","0.71073","MoKα","","0.0639","0.0456","","","0.0886","0.0956","","","","","","1.087","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122133","22.1206","0.0005","15.0301","0.0003","21.6928","0.0004","90","","101.893","0.002","90","","7057.5","0.3","100","2","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H27 Au3 N6 S3 -","- C39 H27 Au3 N6 S3 -","- C312 H216 Au24 N48 S24 -","8","1","","Ni, Wen-Xiu; Qiu, Yu-Min; Li, Mian; Zheng, Ji; Sun, Raymond Wai-Yin; Zhan, Shun-Ze; Ng, Seik Weng; Li, Dan","Metallophilicity-driven dynamic aggregation of a phosphorescent gold(i)-silver(i) cluster prepared by solution-based and mechanochemical approaches.","Journal of the American Chemical Society","2014","136","27","9532","9535","10.1021/ja5025113","","","0.7107","MoKα","","0.0851","0.0586","","","0.1358","0.1529","","","","","","1.031","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122134","16.1998","0.0005","17.4168","0.0005","19.4389","0.0006","65.66","0.003","70.6","0.003","63.329","0.003","4391.9","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C82 H62 Ag Au6 Cl8 F6 N12 P S6 -","- C82 H62 Ag Au6 Cl8 F6 N12 P S6 -","- C164 H124 Ag2 Au12 Cl16 F12 N24 P2 S12 -","2","1","","Ni, Wen-Xiu; Qiu, Yu-Min; Li, Mian; Zheng, Ji; Sun, Raymond Wai-Yin; Zhan, Shun-Ze; Ng, Seik Weng; Li, Dan","Metallophilicity-driven dynamic aggregation of a phosphorescent gold(i)-silver(i) cluster prepared by solution-based and mechanochemical approaches.","Journal of the American Chemical Society","2014","136","27","9532","9535","10.1021/ja5025113","","","0.71073","MoKα","","0.0869","0.055","","","0.1235","0.142","","","","","","1.032","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122135","19.55","0.003","25.687","0.004","24.744","0.004","90","","98.171","0.002","90","","12300","3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C124 H96 Mo2 N26 O12 V3 -","- C124 H96 Mo2 N26 O12 V3 -","- C496 H384 Mo8 N104 O48 V12 -","4","1","","Pinkowicz, Dawid; Southerland, Heather; Wang, Xin-Yi; Dunbar, Kim R.","Record antiferromagnetic coupling for a 3d/4d cyanide-bridged compound.","Journal of the American Chemical Society","2014","136","28","9922","9924","10.1021/ja5044352","","","0.71073","MoKα","","0.227","0.0979","","","0.2213","0.348","","","","","","1.196","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122136","12.0364","0.0013","12.668","0.002","14.0217","0.0018","90","","90","","90","","2138","0.5","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 B Cl3 Ga Mo N O4 Si2 -","- C10 H18 B Cl3 Ga Mo N O4 Si2 -","- C40 H72 B4 Cl12 Ga4 Mo4 N4 O16 Si8 -","4","1","","Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Hupp, Florian","Complete and Partial 1,2-Additions across Transition Metal-Boron Double Bonds.","Journal of the American Chemical Society","2014","136","27","9560","9563","10.1021/ja504761f","","","0.71073","MoKα","","0.0178","0.0154","","","0.0329","0.0341","","","","","","1.079","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122137","22.48","0.003","9.9041","0.0013","26.374","0.004","90","","106.775","0.005","90","","5622.1","1.4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H60 B2 Cl6 Fe2 Ga2 O6 P2 -","- C46 H60 B2 Cl6 Fe2 Ga2 O6 P2 -","- C184 H240 B8 Cl24 Fe8 Ga8 O24 P8 -","4","0.5","","Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Hupp, Florian","Complete and Partial 1,2-Additions across Transition Metal-Boron Double Bonds.","Journal of the American Chemical Society","2014","136","27","9560","9563","10.1021/ja504761f","","","0.71073","MoKα","","0.0613","0.0428","","","0.0906","0.0967","","","","","","1.097","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122138","5.7478","0.0016","19.923","0.005","37.012","0.01","90","","90","","90","","4238","2","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 Br O2 -","- C24 H31 Br O2 -","- C192 H248 Br8 O16 -","8","2","","Qin, Changming; Davies, Huw M. L.","Role of sterically demanding chiral dirhodium catalysts in site-selective C-h functionalization of activated primary C-h bonds.","Journal of the American Chemical Society","2014","136","27","9792","9796","10.1021/ja504797x","","","0.71073","MoKα","","0.1457","0.1315","","","0.3067","0.3137","","","","","","1.095","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122139","11.0837","0.0014","5.761","0.0007","18.212","0.002","90","","105.185","0.0016","90","","1122.3","0.2","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br Cl3 O2 -","- C22 H24 Br Cl3 O2 -","- C44 H48 Br2 Cl6 O4 -","2","1","","Qin, Changming; Davies, Huw M. L.","Role of sterically demanding chiral dirhodium catalysts in site-selective C-h functionalization of activated primary C-h bonds.","Journal of the American Chemical Society","2014","136","27","9792","9796","10.1021/ja504797x","","","0.71073","MoKα","","0.0482","0.0425","","","0.0982","0.1049","","","","","","1.08","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122140","18.803","0.005","6.1937","0.0015","16.084","0.004","90","","110.666","0.004","90","","1752.6","0.8","125","2","125","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Plummer, Christopher W.; Wei, Carolyn S.; Yozwiak, Carrie E.; Soheili, Arash; Smithback, Sara O.; Leighton, James L.","Design, development, mechanistic elucidation, and rational optimization of a tandem ireland claisen/cope rearrangement reaction for rapid access to the (iso)cyclocitrinol core.","Journal of the American Chemical Society","2014","136","28","9878","9881","10.1021/ja505131v","","","0.71073","MoKα","","0.0929","0.0566","","","0.129","0.1479","","","","","","1.033","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122141","6.415","0.003","11.466","0.006","12.007","0.006","110.702","0.01","93.082","0.009","97.855","0.01","813.4","0.7","125","2","125","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C38 H52 O6 -","2","1","","Plummer, Christopher W.; Wei, Carolyn S.; Yozwiak, Carrie E.; Soheili, Arash; Smithback, Sara O.; Leighton, James L.","Design, development, mechanistic elucidation, and rational optimization of a tandem ireland claisen/cope rearrangement reaction for rapid access to the (iso)cyclocitrinol core.","Journal of the American Chemical Society","2014","136","28","9878","9881","10.1021/ja505131v","","","0.71073","MoKα","","0.2172","0.0718","","","0.1192","0.1511","","","","","","0.892","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122142","16.868","0.005","17.468","0.005","18.823","0.005","90","","90","","90","","5546","3","193","2","193","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H44 B F4 N O6 -","- C24 H44 B F4 N O6 -","- C192 H352 B8 F32 N8 O48 -","8","1","","Ye, Heng-Yun; Li, Shen-Hui; Zhang, Yi; Zhou, Lei; Deng, Feng; Xiong, Ren-Gen","Solid State Molecular Dynamic Investigation of An Inclusion Ferroelectric: [(2,6-Diisopropylanilinium)([18]crown-6)]BF4.","Journal of the American Chemical Society","2014","136","28","10033","10040","10.1021/ja503344b","","","0.71073","MoKα","","0.0986","0.0777","","","0.1651","0.1763","","","","","","1.153","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122143","17.125","0.017","17.685","0.016","19.071","0.016","90","","90","","90","","5776","9","333","2","333","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C24 H44 B F4 N O6 -","- C24 H44 B F4 N O6 -","- C192 H352 B8 F32 N8 O48 -","8","0.5","","Ye, Heng-Yun; Li, Shen-Hui; Zhang, Yi; Zhou, Lei; Deng, Feng; Xiong, Ren-Gen","Solid State Molecular Dynamic Investigation of An Inclusion Ferroelectric: [(2,6-Diisopropylanilinium)([18]crown-6)]BF4.","Journal of the American Chemical Society","2014","136","28","10033","10040","10.1021/ja503344b","","","0.71073","MoKα","","0.1881","0.1144","","","0.2588","0.2982","","","","","","1.205","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122144","18.757","0.005","17.392","0.005","16.703","0.004","90","","90","","90","","5449","3","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H44 B F4 N O6 -","- C24 H44 B F4 N O6 -","- C192 H352 B8 F32 N8 O48 -","8","2","","Ye, Heng-Yun; Li, Shen-Hui; Zhang, Yi; Zhou, Lei; Deng, Feng; Xiong, Ren-Gen","Solid State Molecular Dynamic Investigation of An Inclusion Ferroelectric: [(2,6-Diisopropylanilinium)([18]crown-6)]BF4.","Journal of the American Chemical Society","2014","136","28","10033","10040","10.1021/ja503344b","","","0.71073","MoKα","","0.057","0.0485","","","0.1027","0.1076","","","","","","1.078","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122145","7.848","0.003","13.118","0.005","13.512","0.005","91.063","0.005","95.731","0.005","91.051","0.005","1383.6","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 F3 N4 O2 Pt -","- C12 H11 F3 N4 O2 Pt -","- C48 H44 F12 N16 O8 Pt4 -","4","2","","Konnick, Michael M.; Bischof, Steven M.; Yousufuddin, Muhammed; Hashiguchi, Brian G.; Ess, Daniel H.; Periana, Roy A.","A Mechanistic Change Results in 100 Times Faster CH Functionalization for Ethane versus Methane by a Homogeneous Pt Catalyst.","Journal of the American Chemical Society","2014","136","28","10085","10094","10.1021/ja504368r","","","0.71073","MoKα","","0.0734","0.0587","","","0.1494","0.162","","","","","","1.048","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122146","8.7062","0.0004","11.6534","0.0005","18.7313","0.0009","90","","98.535","0.0014","90","","1879.37","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(tpy)Au(CH2CH2OCOCF3)(OCOCF3)","[2-(4-tolyl)pyridine](2-trifluoroacetoxyethyl)(trifluoroacetato)gold(III)","","- C18 H14 Au F6 N O4 -","- C18 H14 Au F6 N O4 -","- C72 H56 Au4 F24 N4 O16 -","4","1","","Langseth, Eirin; Nova, Ainara; Tråseth, Eline Aa; Rise, Frode; Oien, Sigurd; Heyn, Richard H.; Tilset, Mats","A Gold Exchange: A Mechanistic Study of a Reversible, Formal Ethylene Insertion into a Gold(III)-Oxygen Bond.","Journal of the American Chemical Society","2014","136","28","10104","10115","10.1021/ja504554u","","","0.71073","MoKα","","0.0324","0.0214","","","0.0358","0.0384","","","","","","1.041","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122147","26.5569","0.0012","4.8312","0.0002","30.7819","0.0013","90","","105.409","0.001","90","","3807.4","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","(tpy)Au(CH2CH2OCH2CF3)(OCOCF3)","[2-(4-tolyl)pyridine](2-trifluoroethoxyethyl)(trifluoroacetato)gold(III)","","- C18 H16 Au Cl0 F6 N O3 -","- C18 H16 Au F6 N O3 -","- C144 H128 Au8 F48 N8 O24 -","8","1","","Langseth, Eirin; Nova, Ainara; Tråseth, Eline Aa; Rise, Frode; Oien, Sigurd; Heyn, Richard H.; Tilset, Mats","A Gold Exchange: A Mechanistic Study of a Reversible, Formal Ethylene Insertion into a Gold(III)-Oxygen Bond.","Journal of the American Chemical Society","2014","136","28","10104","10115","10.1021/ja504554u","","","0.71073","MoKα","","0.0409","0.0335","","","0.0801","0.0841","","","","","","1.08","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122148","11.2419","0.0012","11.434","0.0012","20.378","0.002","88.275","0.001","89.862","0.002","76.552","0.002","2546.4","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H83 Li O6 P -","- C51 H83 Li O6 P -","- C102 H166 Li2 O12 P2 -","2","1","","Pan, Xiaobo; Wang, Xingyong; Zhao, Yue; Sui, Yunxia; Wang, Xinping","A crystalline phosphaalkene radical anion.","Journal of the American Chemical Society","2014","136","28","9834","9837","10.1021/ja504001x","","","0.71073","MoKα","","0.0543","0.0478","","","0.111","0.1328","","","","","","1.199","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122149","33.185","0.003","10.8157","0.0009","14.5739","0.0012","90","","90","","90","","5230.8","0.8","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C55 H85 K O4 P -","- C54.996 H85 K O4 P -","- C219.984 H340 K4 O16 P4 -","4","1","","Pan, Xiaobo; Wang, Xingyong; Zhao, Yue; Sui, Yunxia; Wang, Xinping","A crystalline phosphaalkene radical anion.","Journal of the American Chemical Society","2014","136","28","9834","9837","10.1021/ja504001x","","","0.71073","MoKα","","0.0506","0.0441","","","0.1039","0.1269","","","","","","1.154","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122150","11.4124","0.0003","12.0079","0.0004","14.6814","0.0004","90","","107.679","0.0016","90","","1916.91","0.1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","13288b","","","- C21 H20 N2 O5 S -","- C21 H20 N2 O5 S -","- C84 H80 N8 O20 S4 -","4","1","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","Torquoselective ring opening of fused cyclobutenamides: evidence for a cis,trans-cyclooctadienone intermediate.","Journal of the American Chemical Society","2014","136","28","9802","9805","10.1021/ja502252t","","","1.54178","CuKα","","0.034","0.0294","","","0.0737","0.0767","","","","","","1.033","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122151","15.2876","0.0006","10.0354","0.0004","13.8347","0.0005","90","","114.866","0.002","90","","1925.71","0.13","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","13280a","","","- C21 H20 N2 O5 S -","- C21 H20 N2 O5 S -","- C84 H80 N8 O20 S4 -","4","1","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","Torquoselective ring opening of fused cyclobutenamides: evidence for a cis,trans-cyclooctadienone intermediate.","Journal of the American Chemical Society","2014","136","28","9802","9805","10.1021/ja502252t","","","1.54178","CuKα","","0.0408","0.0326","","","0.0796","0.0837","","","","","","1.055","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122152","8.6141","0.001","20.396","0.002","12.2349","0.0014","90","","106.345","0.002","90","","2062.7","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","13158z","","","- C22 H22 N2 O5 S -","- C22 H22 N2 O5 S -","- C88 H88 N8 O20 S4 -","4","1","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","Torquoselective ring opening of fused cyclobutenamides: evidence for a cis,trans-cyclooctadienone intermediate.","Journal of the American Chemical Society","2014","136","28","9802","9805","10.1021/ja502252t","","","0.71073","MoKα","","0.0693","0.042","","","0.0881","0.1009","","","","","","1.029","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122153","12.593","0.002","11.569","0.003","13.603","0.003","90","","116.52","0.01","90","","1773.3","0.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","13322a","","","- C19 H20 N2 O4 S -","- C19 H20 N2 O4 S -","- C76 H80 N8 O16 S4 -","4","1","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","Torquoselective ring opening of fused cyclobutenamides: evidence for a cis,trans-cyclooctadienone intermediate.","Journal of the American Chemical Society","2014","136","28","9802","9805","10.1021/ja502252t","","","1.54178","CuKα","","0.0371","0.0332","","","0.0859","0.0889","","","","","","1.038","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122154","30.401","0.002","34.672","0.002","21.1517","0.0014","90","","90","","90","","22295","2","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C98 H72 F12 Fe2 N26 O12 S4 -","- C97 H72 F9 Fe2 N26 O9 S3 -","- C776 H576 F72 Fe16 N208 O72 S24 -","8","1","","Roberts, Derrick A.; Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Kinetically Metastable Fe(II)2L3 Triple Helicates.","Journal of the American Chemical Society","2014","136","23","8201","8204","10.1021/ja5042397","","","0.6889","synchrotron","","0.1337","0.1185","","","0.3238","0.3397","","","","","","1.051","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122155","12.0651","0.0004","20.7223","0.0006","45.3163","0.0014","90","","96.757","0.002","90","","11251.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C104 H84 F12 Fe2 N20 O15 S4 -","- C104 H84 F12 Fe2 N20 O15 S4 -","- C416 H336 F48 Fe8 N80 O60 S16 -","4","1","","Roberts, Derrick A.; Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Kinetically Metastable Fe(II)2L3 Triple Helicates.","Journal of the American Chemical Society","2014","136","23","8201","8204","10.1021/ja5042397","","","0.6889","synchrotron","","0.1684","0.107","","","0.2999","0.3242","","","","","","0.961","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122156","47.203","0.003","12.9869","0.0009","39.414","0.003","90","","92.37","0.004","90","","24141","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H96 F12 Fe2 N20 O15 S4 -","- C109 H96 F9 Fe2 N20 O12 S3 -","- C872 H768 F72 Fe16 N160 O96 S24 -","8","1","","Roberts, Derrick A.; Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Kinetically Metastable Fe(II)2L3 Triple Helicates.","Journal of the American Chemical Society","2014","136","23","8201","8204","10.1021/ja5042397","","","0.71075","MoKα","","0.1276","0.0981","","","0.2715","0.288","","","","","","1.099","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122157","12.7077","0.0003","21.2365","0.0005","43.5084","0.001","90","","96.094","0.001","90","","11675.1","0.5","130","2","130","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C115 H90 F21 Fe2 N24 O6 P3 S -","- C115 H84 F21 Fe2 N24 O6 P3 S -","- C460 H336 F84 Fe8 N96 O24 P12 S4 -","4","1","","Roberts, Derrick A.; Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Kinetically Metastable Fe(II)2L3 Triple Helicates.","Journal of the American Chemical Society","2014","136","23","8201","8204","10.1021/ja5042397","","","1.54178","CuKα","","0.1403","0.1054","","","0.2833","0.3081","","","","","","1.016","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122158","11.81","0.0003","12.4184","0.0003","14.541","0.0003","79.3859","0.0019","67.8701","0.0019","69.185","0.002","1843.44","0.08","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H39 Cl2 Cu N5 O11 -","- C29 H39 Cl2 Cu N5 O11 -","- C58 H78 Cl4 Cu2 N10 O22 -","2","1","","Lee, Jung Yoon; Peterson, Ryan L.; Ohkubo, Kei; Garcia-Bosch, Isaac; Himes, Richard A.; Woertink, Julia; Moore, Cathy D.; Solomon, Edward I.; Fukuzumi, Shunichi; Karlin, Kenneth D.","Mechanistic Insights into the Oxidation of Substituted Phenols via Hydrogen Atom Abstraction by a Cupric-Superoxo Complex.","Journal of the American Chemical Society","2014","136","28","9925","9937","10.1021/ja503105b","","","0.71073","MoKα","","0.0362","0.0309","","","0.0808","0.0833","","","","","","1.041","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122159","7.907","0.003","12.982","0.006","13.323","0.005","90","","90","","90","","1367.6","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 P -","- C16 H19 P -","- C64 H76 P4 -","4","1","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0488","0.0391","","","0.0843","0.0901","","","","","","1.018","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122160","15.256","0.005","8.081","0.003","16.253","0.005","90","","117.473","0.005","90","","1777.8","1","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 P -","- C20 H27 P -","- C80 H108 P4 -","4","1","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0693","0.0502","","","0.1255","0.1425","","","","","","1.034","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122161","16.8064","0.0013","11.5731","0.0009","18.979","0.0015","90","","114.969","0.001","90","","3346.4","0.5","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H55 O2 P -","- C34 H55 O2 P -","- C136 H220 O8 P4 -","4","1","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0522","0.0466","","","0.1225","0.1283","","","","","","1.011","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122162","9.5495","0.0008","19.1961","0.0017","12.6085","0.0011","90","","106.027","0.002","90","","2221.5","0.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H37 N2 P -","- C24 H37 N2 P -","- C96 H148 N8 P4 -","4","1","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0493","0.0403","","","0.1045","0.1114","","","","","","1.019","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122163","6.2112","0.0004","20.6287","0.0014","14.9542","0.0011","90","","92.209","0.001","90","","1914.6","0.2","200","2","200","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H29 N2 P -","- C20 H29 N2 P -","- C80 H116 N8 P4 -","4","2","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0389","0.0338","","","0.0903","0.0942","","","","","","1.022","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122164","14.117","0.002","10.1847","0.0014","14.347","0.002","90","","94.131","0.003","90","","2057.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 O2 P -","- C22 H31 O2 P -","- C88 H124 O8 P4 -","4","1","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0879","0.0536","","","0.1414","0.1703","","","","","","0.925","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122165","12.3099","0.0014","14.2308","0.0016","18.822","0.002","75.22","0.002","79.664","0.002","88.112","0.002","3136.1","0.6","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H51 P -","- C32 H51 P -","- C128 H204 P4 -","4","2","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.1113","0.0768","","","0.2008","0.231","","","","","","1.019","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122166","6.6137","0.001","18.406","0.003","26.543","0.004","90","","90.626","0.003","90","","3230.9","0.9","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H53 N2 P -","- C32 H53 N2 P -","- C128 H212 N8 P4 -","4","1","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0877","0.0543","","","0.1227","0.1432","","","","","","1.027","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122167","19.964","0.004","21.624","0.004","8.0369","0.0016","90","","90","","90","","3469.5","1.2","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C31 H46 I O2 P Pd Si -","- C31 H46 I O2 P Pd Si -","- C124 H184 I4 O8 P4 Pd4 Si4 -","4","0.5","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0942","0.0504","","","0.1109","0.1315","","","","","","1.062","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122168","11.687","0.0008","16.2027","0.0011","25.0686","0.0017","90","","101.826","0.001","90","","4646.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cmpd1b","cmpd1b","","- C46 H68 N6 Ta2 -","- C46 H68 N6 Ta2 -","- C184 H272 N24 Ta8 -","4","1","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0267","0.0206","","","0.0405","0.042","","","","","","1.002","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122169","10.1527","0.0012","16.0379","0.0018","14.2362","0.0016","90","","110.774","0.002","90","","2167.3","0.4","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","cmpd1c","cmpd1c","","- C38 H70 N8 Ta2 -","- C38 H70 N8 Ta2 -","- C76 H140 N16 Ta4 -","2","1","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0319","0.0277","","","0.0632","0.0655","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122170","9.7368","0.0005","20.4387","0.001","12.387","0.0006","90","","109.451","0.001","90","","2324.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cmpd2b","cmpd2b","","- C46 H68 N6 Nb2 -","- C46 H68 N6 Nb2 -","- C92 H136 N12 Nb4 -","2","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0434","0.0311","","","0.058","0.062","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122171","13.3148","0.001","17.9841","0.0013","18.9403","0.0014","90","","102.756","0.001","90","","4423.4","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cmpd_cis_3b","cmpd_cis_3b","","- C46 H68 N6 Ta2 -","- C46 H68 N6 Ta2 -","- C184 H272 N24 Ta8 -","4","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0239","0.0191","","","0.0367","0.0383","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122172","16.4902","0.0011","15.3364","0.001","17.0776","0.0011","90","","90","","90","","4318.9","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cmpd_trans_3b","cmpd_trans_3b","","- C46 H68 N6 Ta2 -","- C46 H68 N6 Ta2 -","- C184 H272 N24 Ta8 -","4","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0211","0.0152","","","0.0297","0.0311","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122173","11.3498","0.0006","11.3498","0.0006","31.8364","0.0017","90","","90","","90","","4101.1","0.4","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","cmpd_cis_3c","cmpd_cis_3c","","- C38 H70 N8 Ta2 -","- C38 H70 N8 Ta2 -","- C152 H280 N32 Ta8 -","4","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0145","0.0139","","","0.0312","0.0314","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122174","11.1501","0.0007","11.8403","0.0008","14.9152","0.001","90","","90.438","0.001","90","","1969.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cmpd_trans_3c","cmpd_trans_3c","","- C38 H70 N8 Ta2 -","- C38 H70 N8 Ta2 -","- C76 H140 N16 Ta4 -","2","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0158","0.0148","","","0.0346","0.035","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122175","11.9347","0.0014","19.054","0.002","19.12","0.002","112.506","0.0017","90.9022","0.0017","102.703","0.0017","3894.3","0.7","295","2","295","2","","","","","","","","4","P -1","-P 1","2","cmpd_cis_4a","cmpd_cis_4a","","- C36 H64 N6 Nb2 -","- C36 H64 N6 Nb2 -","- C144 H256 N24 Nb8 -","4","2","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0415","0.03","","","0.0573","0.0603","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122176","16.5274","0.0018","15.3353","0.0017","17.172","0.0019","90","","90","","90","","4352.3","0.8","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cmpd_trans_4b","cmpd_trans_4b","","- C46 H68 N6 Nb2 -","- C46 H68 N6 Nb2 -","- C184 H272 N24 Nb8 -","4","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0311","0.0234","","","0.0496","0.0533","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122177","12.5699","0.0005","10.2174","0.0004","15.4022","0.0007","90","","101.536","0.001","90","","1938.17","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cmpd5","cmpd5","","- C36 H64 N6 V2 -","- C36 H64 N6 V2 -","- C72 H128 N12 V4 -","2","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0437","0.0369","","","0.0784","0.082","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122178","12.9672","0.0009","9.1331","0.0006","16.5204","0.0011","90","","91.1382","0.001","90","","1956.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cmpd8","cmpd8","","- C18 H32 Cl N2 V -","- C18 H32 Cl N2 V -","- C72 H128 Cl4 N8 V4 -","4","1","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0295","0.0259","","","0.0551","0.057","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122179","12.3334","0.0016","18.228","0.002","16.578","0.002","90","","90.162","0.002","90","","3726.9","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","cmpd9a","cmpd9a","","- C36 H64 N6 O Ta2 -","- C36 H64 N6 O Ta2 -","- C144 H256 N24 O4 Ta8 -","4","2","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0463","0.0384","","","0.0804","0.0834","","","","","","1.001","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122180","10.329","0.0013","17.301","0.002","25.09","0.003","95.3168","0.0019","93.183","0.002","92.545","0.002","4451.9","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","cmpd9b","cmpd9b","","- C46 H68 N6 O Ta2 -","- C46 H68 N6 O Ta2 -","- C184 H272 N24 O4 Ta8 -","4","2","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0351","0.0246","","","0.0443","0.0462","","","","","","1.001","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122181","15.4459","0.0012","15.9426","0.0013","18.6329","0.0015","90","","90","","90","","4588.3","0.6","220","2","220","2","","","","","","","","5","C 2 2 21","C 2c 2","20","cmpd9c","cmpd9c","","- C44 H76 N8 O Ta2 -","- C44 H76 N8 O Ta2 -","- C176 H304 N32 O4 Ta8 -","4","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0175","0.0171","","","0.0411","0.0413","","","","","","1.002","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122182","11.9991","0.0005","36.8188","0.0016","15.059","0.0007","90","","93.1035","0.0007","90","","6643.2","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cmpd10","cmpd10","","- C36 H50 N4 V -","- C36 H50 N4 V -","- C288 H400 N32 V8 -","8","2","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0479","0.0369","","","0.0715","0.076","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122183","22.267","0.002","11.9395","0.0011","39.627","0.004","90","","97.399","0.003","90","","10447.4","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H86 N3 O5 U -","- C53 H86 N3 O5 U -","- C424 H688 N24 O40 U8 -","8","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0377","0.0271","","","0.0549","0.0581","","","","","","1.094","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122184","10.3378","0.0018","16.399","0.003","19.791","0.003","75.292","0.003","88.4","0.003","77.537","0.003","3167.5","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H94 N5 O3 U -","- C71 H94 N5 O3 U -","- C142 H188 N10 O6 U2 -","2","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.066","0.0422","","","0.0765","0.0832","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122185","15.352","0.0011","18.1081","0.0009","37.4604","0.0019","90","","94.56","0.008","90","","10380.9","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C109 H151 N8 O10 U2 -","- C109 H151 N8 O10 U2 -","- C436 H604 N32 O40 U8 -","4","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0426","0.0295","","","0.0563","0.0594","","","","","","1.09","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122186","17.0957","0.0003","15.6662","0.0002","19.5697","0.0003","90","","93.813","0.001","90","","5229.65","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H77 N4 O5 U -","- C56 H77 N4 O5 U -","- C224 H308 N16 O20 U4 -","4","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0487","0.0279","","","0.0559","0.0623","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122187","10.281","0.002","16.229","0.004","17.814","0.004","87.922","0.004","89.228","0.004","81.815","0.004","2940","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H90 N4 O5 U -","- C63 H90 N4 O5 U -","- C126 H180 N8 O10 U2 -","2","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0476","0.0366","","","0.0854","0.0907","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122188","12.3462","0.0012","12.596","0.0013","17.731","0.0017","110.565","0.002","90.487","0.002","91.474","0.002","2580.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H156 N6 O8 U2 -","- C114 H156 N6 O8 U2 -","- C114 H156 N6 O8 U2 -","1","0.5","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0207","0.018","","","0.0428","0.0437","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122189","12.4596","0.0002","13.1189","0.0002","15.19","0.0002","105.809","0.001","100.266","0.001","91.83","0.001","2342.23","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H144 N6 O8 U2 -","- C102 H144 N6 O8 U2 -","- C102 H144 N6 O8 U2 -","1","0.5","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0292","0.0243","","","0.0568","0.0586","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122190","14.021","0.002","15.655","0.002","23.004","0.004","77.233","0.004","84.937","0.004","67.646","0.004","4554.4","1.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H139 K2 N6 O8 U2 -","- C93 H139 K2 N6 O8 U2 -","- C186 H278 K4 N12 O16 U4 -","2","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0366","0.0248","","","0.0519","0.056","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122191","15.288","0.002","18.239","0.003","20.518","0.002","96.245","0.01","94.885","0.009","98.665","0.011","5592.2","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H180 K2 N6 O14 U2 -","- C114 H180 K2 N6 O14 U2 -","- C228 H360 K4 N12 O28 U4 -","2","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0643","0.0438","","","0.0906","0.0946","","","","","","1.513","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122192","13.189","0.002","25.23","0.004","36.9","0.006","90","","93.896","0.004","90","","12250","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H186 K N8 O14 U2 -","- C126 H186 K N8 O14 U2 -","- C504 H744 K4 N32 O56 U8 -","4","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0867","0.0478","","","0.087","0.0958","","","","","","1.195","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122193","32.153","0.003","15.4977","0.0011","25.339","0.002","90","","115.757","0.007","90","","11371.9","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H78 F3 N3 O7 S U -","- C58 H78 F3 N3 O7 S U -","- C464 H624 F24 N24 O56 S8 U8 -","8","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0516","0.0313","","","0.0671","0.0728","","","","","","1.188","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122194","19.12","0.004","25.85","0.005","26.032","0.005","67.67","0.03","89.97","0.03","86.95","0.03","11882","5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H81 F6 N3 O4 Sb U -","- C60 H81 F6 N3 O4 Sb U -","- C480 H648 F48 N24 O32 Sb8 U8 -","8","4","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.1202","0.0667","","","0.1254","0.149","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122195","25.833","0.006","19.209","0.005","26.537","0.007","90","","112.109","0.005","90","","12200","5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62.5 H86 F6 N3 O4 Sb U -","- C62.5 H86 F6 N3 O4 Sb U -","- C500 H688 F48 N24 O32 Sb8 U8 -","8","2","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.1816","0.0631","","","0.0919","0.1198","","","","","","0.963","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122196","7.7409","0.0007","13.7132","0.0013","24.015","0.002","90","","94.217","0.002","90","","2542.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 F6 N3 O11 S2 U -","- C17 H15 F6 N3 O11 S2 U -","- C68 H60 F24 N12 O44 S8 U4 -","4","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0179","0.0154","","","0.035","0.0359","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122197","13.4843","0.0013","19.0787","0.0018","24.425","0.002","67.765","0.002","87.98","0.002","86.037","0.002","5802.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H185 K N8 O16 U2 -","- C116 H185 K N8 O16 U2 -","- C232 H370 K2 N16 O32 U4 -","2","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0548","0.0342","","","0.0712","0.0775","","","","","","1.083","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122198","15.045","0.004","18.036","0.005","20.979","0.005","90","","101.493","0.004","90","","5579","3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H62 Mg3 N4 O16 -","- C56 H40 Mg3 N4 O16 -","- C224 H160 Mg12 N16 O64 -","4","0.5","","Dinca, Mircea; Long, Jeffrey R.","Strong H(2) binding and selective gas adsorption within the microporous coordination solid Mg(3)(O(2)C-C(10)H(6)-CO(2))(3).","Journal of the American Chemical Society","2005","127","26","9376","9377","10.1021/ja0523082","","","0.71073","MoKα","","0.2103","0.0821","","","0.1859","0.2414","","","","","","0.945","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122199","10.2723","0.0001","10.7498","0.0002","11.1337","0.0002","90.7169","0.0007","109.417","0.0007","112.276","0.0008","1059.37","0.03","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 N O2 S -","- C24 H29 N O2 S -","- C48 H58 N2 O4 S2 -","2","1","","Mühlthau, Friedrich; Schuster, Oliver; Bach, Thorsten","High facial diastereoselectivity in intra- and intermolecular reactions of chiral benzylic cations.","Journal of the American Chemical Society","2005","127","26","9348","9349","10.1021/ja050626v","","","0.71073","MoKα","","0.0416","0.0412","","","0.1091","0.1094","","","","","","1.07","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122200","15.8891","0.0012","17.4754","0.0013","22.7912","0.0017","90","","106.583","0.002","90","","6065.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 O8 P4 -","- C72 H60 O7.2 P4 -","- C288 H240 O28.8 P16 -","4","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.1675","0.0653","","","0.1449","0.1664","","","","","","0.837","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122201","15.7792","0.0009","13.6619","0.0008","16.2153","0.001","90","","117.712","0.001","90","","3094.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C65 H76 O17 S4 -","- C65 H76 O17 S4 -","- C130 H152 O34 S8 -","2","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.1019","0.082","","","0.2057","0.2207","","","","","","1.018","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122202","9.0474","0.0008","18.2579","0.0016","9.0807","0.0009","90","","117.088","0.002","90","","1335.5","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H24 N2 O4 -","- C34 H24 N2 O4 -","- C68 H48 N4 O8 -","2","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.0568","0.041","","","0.078","0.0838","","","","","","0.886","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122203","10.0479","0.0008","23.826","0.002","10.3766","0.0009","90","","96.601","0.002","90","","2467.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 N2 O4 -","- C34 H24 N2 O4 -","- C136 H96 N8 O16 -","4","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.0839","0.0411","","","0.0552","0.0614","","","","","","0.748","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122204","9.8525","0.0006","17.7912","0.0011","13.3643","0.0009","90","","106.076","0.001","90","","2251","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 O6 -","- C28 H24 O6 -","- C112 H96 O24 -","4","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.111","0.0566","","","0.1438","0.1637","","","","","","0.984","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122205","9.4368","0.0016","9.9806","0.0017","13.572","0.002","100.051","0.004","91.247","0.004","98.309","0.004","1244","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H22 N4 O4 -","- C32 H22 N4 O4 -","- C64 H44 N8 O8 -","2","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.1212","0.0609","","","0.1373","0.1529","","","","","","0.898","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122206","10.3423","0.0006","29.4187","0.0017","15.2361","0.0009","90","","96.53","0.001","90","","4605.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 F6 O9 P2 S2 -","- C50 H34 F6 O9 P2 S2 -","- C200 H136 F24 O36 P8 S8 -","4","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.0787","0.0478","","","0.0956","0.104","","","","","","0.891","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122207","9.892","0.003","12.862","0.004","10.141","0.004","90","","105.381","0.018","90","","1244","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Br F3 N2 O5 -","- Br F3 N2 O5 -","- Br8 F24 N16 O40 -","8","1","","Lehmann, John F.; Schrobilgen, Gary J.","Synthesis and characterization of salts containing the BrO(3)F(2)(-) anion; a rare example of a bromine(VII) species.","Journal of the American Chemical Society","2005","127","26","9416","9427","10.1021/ja0402607","","","0.71073","MoKα","","0.0929","0.0671","","","0.1689","0.1813","","","","","","1.082","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122208","8.5718","0.0007","8.5718","0.0007","5.8117","0.0006","90","","90","","90","","427.02","0.07","100","2","100","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C4 H12 Br F2 N O3 -","- C4 H12 Br F2 N O3 -","- C8 H24 Br2 F4 N2 O6 -","2","0.125","","Lehmann, John F.; Schrobilgen, Gary J.","Synthesis and characterization of salts containing the BrO(3)F(2)(-) anion; a rare example of a bromine(VII) species.","Journal of the American Chemical Society","2005","127","26","9416","9427","10.1021/ja0402607","","","0.71073","MoKα","","0.0407","0.0314","","","0.0724","0.0761","","","","","","1.058","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122209","8.9781","0.0015","19.432","0.003","16.339","0.003","90","","103.873","0.003","90","","2767.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 Cl3 F6 P Ru -","- C24 H33 Cl3 F6 P Ru -","- C96 H132 Cl12 F24 P4 Ru4 -","4","1","","O'connor, Joseph M.; Friese, Seth J.; Rodgers, Betsy L.; Rheingold, Arnold L.; Zakharov, Lev","An eta(6)-dienyne transition-metal complex.","Journal of the American Chemical Society","2005","127","26","9346","9347","10.1021/ja042272y","","","0.71073","MoKα","","0.0459","0.0434","","","0.1065","0.1082","","","","","","1.111","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122210","11.647","0.003","11.647","0.003","26.381","0.008","90","","90","","90","","3578.7","1.7","213","2","213","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C44 H32 Cl2 Ni P2 -","- C44 H32 Cl2 Ni P2 -","- C176 H128 Cl8 Ni4 P8 -","4","0.5","","Evans, David A.; Thomson, Regan J.; Franco, Francisco","Ni(II) Tol-BINAP-Catalyzed Enantioselective Michael Reactions of β-Ketoesters and Unsaturated N-Acylthiazolidinethiones","Journal of the American Chemical Society","2005","127","31","10816","10817","10.1021/ja053820q","","","0.71073","MoKα","","0.0502","0.0343","","","0.0686","0.0732","","","","","","1.014","","","","has coordinates","219219","2020-10-21","18:00:00",""
"4122212","10.186","0.005","11.735","0.005","13.03","0.005","79.413","0.005","72.025","0.005","75.355","0.005","1423.9","1.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 B N2 U -","- C32 H36 B N2 U -","- C64 H72 B2 N4 U2 -","2","1","","Arnold, Polly L.; Stevens, Charlotte J.; Farnaby, Joy H.; Gardiner, Michael G.; Nichol, Gary S.; Love, Jason B.","New Chemistry from an Old Reagent: Mono- and Dinuclear Macrocyclic Uranium(III) Complexes from [U(BH4)3(THF)2].","Journal of the American Chemical Society","2014","136","29","10218","10221","10.1021/ja504835a","","","0.71073","MoKα","","0.0341","0.0319","","","0.0972","0.0983","","","","","","1.146","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122213","14.2234","0.0001","17.8038","0.0002","14.2288","0.0001","90","","90.588","0.001","90","","3602.98","0.05","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H96 B3 Li N8 O7 U2 -","- C70 H96 B3 Li N8 O7 U2 -","- C140 H192 B6 Li2 N16 O14 U4 -","2","1","","Arnold, Polly L.; Stevens, Charlotte J.; Farnaby, Joy H.; Gardiner, Michael G.; Nichol, Gary S.; Love, Jason B.","New Chemistry from an Old Reagent: Mono- and Dinuclear Macrocyclic Uranium(III) Complexes from [U(BH4)3(THF)2].","Journal of the American Chemical Society","2014","136","29","10218","10221","10.1021/ja504835a","","","1.54184","CuKα","","0.0406","0.0388","","","0.1003","0.1021","","","","","","1.061","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122214","11.6073","0.0002","16.45","0.0003","26.2923","0.0006","103.397","0.002","101.111","0.002","99.36","0.002","4677.75","0.18","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C103 H105 B3 N17 Na U2 -","- C103 H105 B3 N17 Na U2 -","- C206 H210 B6 N34 Na2 U4 -","2","1","","Arnold, Polly L.; Stevens, Charlotte J.; Farnaby, Joy H.; Gardiner, Michael G.; Nichol, Gary S.; Love, Jason B.","New Chemistry from an Old Reagent: Mono- and Dinuclear Macrocyclic Uranium(III) Complexes from [U(BH4)3(THF)2].","Journal of the American Chemical Society","2014","136","29","10218","10221","10.1021/ja504835a","","","0.71073","MoKα","","0.075","0.0428","","","0.0816","0.0922","","","","","","1.057","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122215","11.0751","0.0002","15.0152","0.0003","24.1321","0.0005","87.395","0.002","84.766","0.002","69.187","0.002","3735.17","0.14","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H74 I N13 O2 U2 -","- C83 H74 I N13 O2 U2 -","- C166 H148 I2 N26 O4 U4 -","2","1","","Arnold, Polly L.; Stevens, Charlotte J.; Farnaby, Joy H.; Gardiner, Michael G.; Nichol, Gary S.; Love, Jason B.","New Chemistry from an Old Reagent: Mono- and Dinuclear Macrocyclic Uranium(III) Complexes from [U(BH4)3(THF)2].","Journal of the American Chemical Society","2014","136","29","10218","10221","10.1021/ja504835a","","","0.71073","MoKα","","0.0651","0.0448","","","0.0961","0.1045","","","","","","0.911","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122216","10.8914","0.0004","23.607","0.0006","24.1102","0.0007","66.568","0.0018","79.589","0.002","89.848","0.002","5577.7","0.3","100","2","100.06","","","","","","","","","10","P -1","-P 1","2","","","","- C118 H101 B Cl2 F24 N O5 P2 Pt S2 -","- C118 H101 B Cl2 F24 N O5 P2 Pt S2 -","- C236 H202 B2 Cl4 F48 N2 O10 P4 Pt2 S4 -","2","1","","Mendez-Arroyo, Jose; Barroso-Flores, Joaquín; Lifschitz, Alejo M.; Sarjeant, Amy A.; Stern, Charlotte L.; Mirkin, Chad A.","A multi-state, allosterically-regulated molecular receptor with switchable selectivity.","Journal of the American Chemical Society","2014","136","29","10340","10348","10.1021/ja503506a","","","1.54178","CuKα","","0.0697","0.0588","","","0.149","0.1541","","","","","","1.054","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122217","26.0542","0.0007","18.7864","0.0005","23.4577","0.0007","90","","90.777","0.002","90","","11480.7","0.6","100","2","100.03","","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C122 H106 B Cl2 F24 N3 O4 P2 Pt S2 -","- C122 H106 B Cl2 F24 N3 O4 P2 Pt S2 -","- C488 H424 B4 Cl8 F96 N12 O16 P8 Pt4 S8 -","4","1","","Mendez-Arroyo, Jose; Barroso-Flores, Joaquín; Lifschitz, Alejo M.; Sarjeant, Amy A.; Stern, Charlotte L.; Mirkin, Chad A.","A multi-state, allosterically-regulated molecular receptor with switchable selectivity.","Journal of the American Chemical Society","2014","136","29","10340","10348","10.1021/ja503506a","","","0.71073","MoKα","","0.1054","0.0488","","","0.1008","0.1251","","","","","","1.018","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122218","12.7771","0.0005","13.4792","0.0006","35.306","0.0018","100.622","0.004","90.163","0.004","102.731","0.003","5823.5","0.5","100","2","100.09","","","","","","","","","7","P -1","-P 1","2","","","","- C128 H122 B2 O4 P2 Pt S2 -","- C128 H122 B2 O4 P2 Pt S2 -","- C256 H244 B4 O8 P4 Pt2 S4 -","2","1","","Mendez-Arroyo, Jose; Barroso-Flores, Joaquín; Lifschitz, Alejo M.; Sarjeant, Amy A.; Stern, Charlotte L.; Mirkin, Chad A.","A multi-state, allosterically-regulated molecular receptor with switchable selectivity.","Journal of the American Chemical Society","2014","136","29","10340","10348","10.1021/ja503506a","","","1.54178","CuKα","","0.1241","0.096","","","0.2176","0.2273","","","","","","1.112","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122219","11.3491","0.0006","12.3027","0.0007","15.4442","0.0008","90","","109.278","0.003","90","","2035.48","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H37 Fe N O P2 -","- C17 H37 Fe N O P2 -","- C68 H148 Fe4 N4 O4 P8 -","4","1","","Bielinski, Elizabeth A.; Lagaditis, Paraskevi O.; Zhang, Yuanyuan; Mercado, Brandon Q.; Würtele, Christian; Bernskoetter, Wesley H.; Hazari, Nilay; Schneider, Sven","Lewis Acid-assisted formic Acid dehydrogenation using a pincer-supported iron catalyst.","Journal of the American Chemical Society","2014","136","29","10234","10237","10.1021/ja505241x","","","0.56086","AgKα","","0.0511","0.0298","","","0.0702","0.0821","","","","","","1.158","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122220","8.1038","0.0001","23.1886","0.0004","15.6037","0.0011","90","","95.968","0.007","90","","2916.3","0.2","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H53 Fe N O P2 -","- C29 H53 Fe N O P2 -","- C116 H212 Fe4 N4 O4 P8 -","4","1","","Bielinski, Elizabeth A.; Lagaditis, Paraskevi O.; Zhang, Yuanyuan; Mercado, Brandon Q.; Würtele, Christian; Bernskoetter, Wesley H.; Hazari, Nilay; Schneider, Sven","Lewis Acid-assisted formic Acid dehydrogenation using a pincer-supported iron catalyst.","Journal of the American Chemical Society","2014","136","29","10234","10237","10.1021/ja505241x","","","1.54178","CuKα","","0.0385","0.0366","","","0.0895","0.0906","","","","","","1.103","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122221","8.3021","0.0003","29.2371","0.0011","11.9237","0.0004","90","","107.348","0.003","90","","2762.58","0.18","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","CGCTiCl2-C0-SNS","","- C23 H38 Cl2 N2 S2 Si Ti -","- C23 H38 Cl2 N2 S2 Si Ti -","- C92 H152 Cl8 N8 S8 Si4 Ti4 -","4","1","","Liu, Shaofeng; Motta, Alessandro; Mouat, Aidan R.; Delferro, Massimiliano; Marks, Tobin J.","Very large cooperative effects in heterobimetallic titanium-chromium catalysts for ethylene polymerization/copolymerization.","Journal of the American Chemical Society","2014","136","29","10460","10469","10.1021/ja5046742","","x-ray","1.54178","CuKα","","0.0981","0.0731","","","","0.1994","","","","","","1.0286","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122222","19.601","0.011","20.274","0.011","20.336","0.01","74.425","0.016","81.702","0.017","86.891","0.019","7702","7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tetrathiafulvalene-calix[4]pyrrole-TOACl-C70","","- C172.6 H153.2 Cl6.2 N5 S24 -","- C172.61 H153.22 Cl6.22 N5 S24 -","- C345.22 H306.44 Cl12.44 N10 S48 -","2","1","","Davis, Christina M.; Lim, Jong Min; Larsen, Karina R.; Kim, Dong Sub; Sung, Young Mo; Lyons, Dani M.; Lynch, Vincent M.; Nielsen, Kent A.; Jeppesen, Jan O.; Kim, Dongho; Park, Jung Su; Sessler, Jonathan L.","Ion-Regulated Allosteric Binding of Fullerenes (C60 and C70) by Tetrathiafulvalene-Calix[4]pyrroles.","Journal of the American Chemical Society","2014","136","29","10410","10417","10.1021/ja504077f","","","0.71075","MoKα","","0.1762","0.1532","","","0.3861","0.4004","","","","","","2.259","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122223","21.845","0.004","21.527","0.004","29.676","0.006","90","","106.2","0.03","90","","13401","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Benzo-TTF-C4P]THACl-C70","Benzo-tetrathiafulvalene-calix[4]pyrrole-THACl-fullerene (C70)","","- C166 H124 Cl5 N5 S16 -","- C166 H124 Cl5 N5 S16 -","- C664 H496 Cl20 N20 S64 -","4","1","","Davis, Christina M.; Lim, Jong Min; Larsen, Karina R.; Kim, Dong Sub; Sung, Young Mo; Lyons, Dani M.; Lynch, Vincent M.; Nielsen, Kent A.; Jeppesen, Jan O.; Kim, Dongho; Park, Jung Su; Sessler, Jonathan L.","Ion-Regulated Allosteric Binding of Fullerenes (C60 and C70) by Tetrathiafulvalene-Calix[4]pyrroles.","Journal of the American Chemical Society","2014","136","29","10410","10417","10.1021/ja504077f","","","0.71074","MoKα","","0.1343","0.1064","","","0.3227","0.3477","","","","","","1.767","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122224","19.557","0.006","19.323","0.006","37.662","0.012","90","","98.973","0.006","90","","14058","8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[TTF-C4P]-C60-TOACl","Tetrathiafulvalene-calix[4]pyrrole-C60-TOACl","","- C160 H152 Cl N5 S24 -","- C160 H152 Cl N5 S24 -","- C640 H608 Cl4 N20 S96 -","4","1","","Davis, Christina M.; Lim, Jong Min; Larsen, Karina R.; Kim, Dong Sub; Sung, Young Mo; Lyons, Dani M.; Lynch, Vincent M.; Nielsen, Kent A.; Jeppesen, Jan O.; Kim, Dongho; Park, Jung Su; Sessler, Jonathan L.","Ion-Regulated Allosteric Binding of Fullerenes (C60 and C70) by Tetrathiafulvalene-Calix[4]pyrroles.","Journal of the American Chemical Society","2014","136","29","10410","10417","10.1021/ja504077f","","","0.71075","MoKα","","0.2271","0.193","","","0.4031","0.4166","","","","","","1.993","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122225","18.7465","0.0008","18.7465","0.0008","14.7998","0.0007","90","","90","","90","","5201.1","0.4","233","2","233","2","","","","","","","","5","P 4/n :2","-P 4a","85","Benzo-TTF-C4P TBAF C60","Benzo-tetrathiafluvalene-calix[4]pyrrole-fullerene(C60)-Tetrabutylammonium fluoride","","- C136 H80 F N5 S16 -","- C136 H80 F N5 S16 -","- C272 H160 F2 N10 S32 -","2","0.25","","Davis, Christina M.; Lim, Jong Min; Larsen, Karina R.; Kim, Dong Sub; Sung, Young Mo; Lyons, Dani M.; Lynch, Vincent M.; Nielsen, Kent A.; Jeppesen, Jan O.; Kim, Dongho; Park, Jung Su; Sessler, Jonathan L.","Ion-Regulated Allosteric Binding of Fullerenes (C60 and C70) by Tetrathiafulvalene-Calix[4]pyrroles.","Journal of the American Chemical Society","2014","136","29","10410","10417","10.1021/ja504077f","","","0.71075","MoKα","","0.1287","0.1079","","","0.3074","0.3329","","","","","","1.067","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122226","11.636","0.002","9.2863","0.0018","20.039","0.004","90","","105.279","0.004","90","","2088.8","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","compound 3b","","","- C22 H26 Br N O3 -","- C22 H26 Br N O3 -","- C88 H104 Br4 N4 O12 -","4","2","","Di Iorio, Nicola; Righi, Paolo; Mazzanti, Andrea; Mancinelli, Michele; Ciogli, Alessia; Bencivenni, Giorgio","Remote Control of Axial Chirality: Aminocatalytic Desymmetrization of N-Arylmaleimides via Vinylogous Michael Addition.","Journal of the American Chemical Society","2014","136","29","10250","10253","10.1021/ja505610k","","","0.71073","MoKα","","0.0787","0.062","","","0.1527","0.1616","","","","","","0.957","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122228","16.5583","0.0009","16.5583","0.0009","18.7408","0.0015","90","","90","","90","","5138.3","0.6","203.15","","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","[Fe4(3,5-Cl2-sae)4(MeOH)4]","","- C40 H44 Cl8 Fe4 N4 O12 -","- C40 H44 Cl8 Fe4 N4 O12 -","- C160 H176 Cl32 Fe16 N16 O48 -","4","0.25","","Oshio, Hiroki; Hoshino, Norihisa; Ito, Tasuku; Nakano, Motohiro","Single-molecule magnets of ferrous cubes: structurally controlled magnetic anisotropy.","Journal of the American Chemical Society","2004","126","28","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.0533","0.0296","","","0.0591","0.0626","","","","","","0.845","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122229","14.8579","0.0018","15.053","0.002","16.847","0.002","68.683","0.003","71.203","0.003","69.484","0.004","3204.5","0.7","203.15","","203.15","","","","","","","","","5","P -1","-P 1","2","","[Fe4(3-MeO-sap)4(MeOH)4]2MeOH","","- C50 H76 Fe4 N4 O18 -","- C50 H75 Fe4 N4 O18 -","- C100 H150 Fe8 N8 O36 -","2","1","","Oshio, Hiroki; Hoshino, Norihisa; Ito, Tasuku; Nakano, Motohiro","Single-molecule magnets of ferrous cubes: structurally controlled magnetic anisotropy.","Journal of the American Chemical Society","2004","126","28","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.1239","0.0812","","","0.253","0.2797","","","","","","0.933","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122230","17.0854","0.0018","17.0854","0.0018","18.391","0.002","90","","90","","90","","5368.5","1","203.15","","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","[Fe4(5-Br-sap)4(MeOH)4]","","- C44 H56 Br4 Fe4 N4 O12 -","- C44 H52 Br4 Fe4 N4 O12 -","- C176 H208 Br16 Fe16 N16 O48 -","4","0.25","","Oshio, Hiroki; Hoshino, Norihisa; Ito, Tasuku; Nakano, Motohiro","Single-molecule magnets of ferrous cubes: structurally controlled magnetic anisotropy.","Journal of the American Chemical Society","2004","126","28","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.0754","0.0612","","","0.1671","0.1763","","","","","","0.905","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122232","9.927","0.002","10.958","0.002","20.985","0.004","83.32","0.03","89.55","0.03","66.18","0.03","2072.2","0.9","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H46 N4 O4 Zn -","- C52 H46 N4 O4 Zn -","- C104 H92 N8 O8 Zn2 -","2","1","","Takacs, James M.; Reddy, D. Sahadeva; Moteki, Shin A.; Wu, Di; Palencia, Hector","Asymmetric catalysis using self-assembled chiral bidentate P,P-ligands.","Journal of the American Chemical Society","2004","126","14","4494","4495","10.1021/ja049873+","","","0.71073","MoKα","","0.0332","0.0309","","","0.0862","0.0877","","","","","","1.074","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122234","8.8228","0.0007","12.0316","0.0012","18.1669","0.0016","90","","90","","90","","1928.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H8 Cl2 N6 O4 -","- C18 H8 Cl2 N6 O4 -","- C72 H32 Cl8 N24 O16 -","4","1","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.0703","0.0288","","","0.0228","0.0256","","","","","","0.554","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122235","12.508","0.003","24.589","0.005","13.77","0.003","90","","99.06","0.03","90","","4182.3","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H11 Cl2 N7 O3.5 -","- C18 H9 Cl2 N7 O3.5 -","- C144 H72 Cl16 N56 O28 -","8","2","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.348","0.113","","","0.2518","0.3458","","","","","","0.818","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122236","21.2008","0.0009","8.2713","0.0003","21.3391","0.001","90","","95.009","0.002","90","","3727.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H10 Cl2 N8 O2 -","- C18 H10 Cl2 N8 O2 -","- C144 H80 Cl16 N64 O16 -","8","1","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.074","0.0465","","","0.1173","0.1313","","","","","","1.016","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122237","8.8051","0.0001","11.2289","0.0005","11.8862","0.0006","87.871","0.006","72.449","0.003","78.862","0.004","1099.12","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20.5 H21 Cl3 N8 O2 -","- C20.5 H20 Cl3 N8 O2 -","- C41 H40 Cl6 N16 O4 -","2","1","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.1384","0.0554","","","0.135","0.1564","","","","","","0.876","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122238","10.127","0.002","12.04","0.002","15.569","0.003","90","","90","","90","","1898.3","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H12 Cl2 N10 -","- C18 H12 Cl2 N10 -","- C72 H48 Cl8 N40 -","4","0.5","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.0532","0.0429","","","0.1185","0.1226","","","","","","1.003","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122239","15.95","0.02","9.169","0.013","20.89","0.03","90","","90","","90","","3055","7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Cl2 N10 O0.25 -","- C21 H18 Cl2 N10 O0.25 -","- C84 H72 Cl8 N40 O -","4","1","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.1104","0.083","","","0.2269","0.2588","","","","","","1.205","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122240","18.444","0.001","18.7666","0.0014","13.6773","0.0016","90","","104.276","0.004","90","","4587.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl2 N9 O2.5 -","- C20 H15 Cl2 N9 O2.5 -","- C160 H120 Cl16 N72 O20 -","8","2","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.2293","0.0543","","","0.0676","0.0868","","","","","","0.601","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122241","20.305","0.007","9.995","0.004","12.001","0.004","90","","107.289","0.005","90","","2325.5","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Cl2 N10 -","- C22 H20 Cl2 N10 -","- C88 H80 Cl8 N40 -","4","0.5","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.0615","0.0412","","","0.1053","0.1159","","","","","","1.033","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122242","15.392","0.003","25.532","0.005","17.085","0.003","90","","90","","90","","6714","2","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","trans-PtCl2(CNArDipp2)2","","","- C72 H85 Cl2 F N4 Pt -","- C72 H85 Cl2 F N4 Pt -","- C288 H340 Cl8 F4 N16 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0336","0.0248","","","0.0446","0.0465","","","","","","1.002","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122243","23.427","0.003","12.4081","0.0015","22.03","0.003","90","","111.479","0.005","90","","5959.1","1.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","cis-PtCl2(CNArDipp2)2","","","- C64 H78 Cl6 N2 Pt -","- C64 H78 Cl6 N2 Pt -","- C256 H312 Cl24 N8 Pt4 -","4","0.5","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0539","0.0397","","","0.0791","0.0834","","","","","","1.12","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122244","16.2253","0.0008","16.4117","0.0008","21.4546","0.0009","90","","96.143","0.002","90","","5680.2","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pt(CNArDipp2)2","","","- C66 H82 N2 O Pt -","- C66 H82 N2 O Pt -","- C264 H328 N8 O4 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0408","0.0283","","","0.0612","0.0674","","","","","","1.047","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122245","14.221","0.002","21.092","0.003","22.585","0.003","90","","99.809","0.005","90","","6675.3","1.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pt(kappa-2-N,B-(Cy)2BIM)(CNArDipp2)","","","- C76.5 H103 B N2 Pt -","- C76.5 H103 B N2 Pt -","- C306 H412 B4 N8 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0412","0.0254","","","0.0501","0.0549","","","","","","1.01","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122246","13.7552","0.0003","12.2451","0.0003","22.2006","0.0005","90","","91.249","0.0011","90","","3738.44","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(OH)(Cy)BC(H)(Cy)NHArDipp2","","","- C43 H62 B N O -","- C43 H62 B N O -","- C172 H248 B4 N4 O4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0628","0.0457","","","0.1058","0.1153","","","","","","1.017","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122247","11.7424","0.0019","41.076","0.007","15.151","0.002","90","","110.606","0.003","90","","6840.3","1.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PtH(mu-OH)((Cy)2BIM)(CNArDipp2)","","","- C76 H104 B N2 O1.5 Pt -","- C76 H104 B N2 O1.5 Pt -","- C304 H416 B4 N8 O6 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0359","0.028","","","0.0589","0.0614","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122248","10.8582","0.0006","41.318","0.002","15.8758","0.0009","90","","107.117","0.002","90","","6807","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pt(kappa-2-C,N,-(Me2CO)(Cy)2BIM)(CNArDipp2)","","","- C77 H103 B N2 O Pt -","- C77 H103 B N2 O Pt -","- C308 H412 B4 N8 O4 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0346","0.0313","","","0.0582","0.0591","","","","","","1.221","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122249","17.3778","0.0006","21.3169","0.0007","19.5427","0.0007","90","","104.843","0.002","90","","6997.8","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","PtH(mu-N(H)(p-NO2C6H4))(Cy2BIM)(CNArDipp2)","","","- C80 H102 B N4 O2 Pt -","- C80 H102 B N4 O2 Pt -","- C320 H408 B4 N16 O8 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0439","0.0305","","","0.0664","0.0697","","","","","","1.043","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122250","16.521","0.0006","20.7264","0.0006","20.3651","0.0008","90","","103.659","0.001","90","","6776.2","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","PtH(mu-OMe)(Cy2BIM)(CNArDipp2)","","","- C75 H101 B N2 O Pt -","- C75 H101 B N2 O Pt -","- C300 H404 B4 N8 O4 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.063","0.0346","","","0.0682","0.0885","","","","","","1.066","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122251","15.1651","0.0012","18.0874","0.0013","18.8461","0.0012","90","","99.98","0.003","90","","5091.2","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cy2BIM][BCl3]","","","- C53 H84 B2 Cl3 N -","- C53 H84 B2 Cl3 N -","- C212 H336 B8 Cl12 N4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0989","0.0584","","","0.147","0.1707","","","","","","1.063","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122252","12.1668","0.0006","14.9438","0.0008","22.7406","0.0012","100.915","0.002","100.665","0.002","102.973","0.002","3842.7","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","PtH(eta-2-C,C-kappa-1-N-PhCC-(Cy)2BIM)(CNArDipp2)","","","- C88 H117 B N2 O1.5 Pt -","- C88 H117 B N2 O1.5 Pt -","- C176 H234 B2 N4 O3 Pt2 -","2","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0716","0.0476","","","0.0867","0.0942","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122253","15.454","0.003","18.996","0.004","24.561","0.005","90","","105.179","0.004","90","","6959","2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","PtH(eta-2-H,B-kappa-1-N-(Cy)2BIM)(CNArDipp2)","","","- C78 H108 B N2 O Pt -","- C78 H108 B N2 O Pt -","- C312 H432 B4 N8 O4 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.05","0.0323","","","0.0608","0.0676","","","","","","1.02","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122254","15.7728","0.0011","25.8576","0.0017","24.212","0.0015","90","","107.415","0.001","90","","9422.1","1.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Pt(kappa-2-C,N,-(PhCHO)(Cy)2BIM)(CNArDipp2)'","","","- C108 H157 B N2 O Pt -","- C108 H157 B N2 O Pt -","- C432 H628 B4 N8 O4 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0324","0.0253","","","0.0582","0.0611","","","","","","1.031","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122255","14.1554","0.0014","14.1554","0.0014","9.807","0.001","90","","90","","120","","1701.8","0.3","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C20 H23 Fe N9 O4 -","- C20 H23 Fe N9 O4 -","- C60 H69 Fe3 N27 O12 -","3","0.5","","Sanders, Brian C.; Hassan, Sayed M.; Harrop, Todd C.","NO2(-) Activation and Reduction to NO by a Nonheme Fe(NO2)2 Complex.","Journal of the American Chemical Society","2014","136","29","10230","10233","10.1021/ja505236x","","","0.71073","MoKα","","0.0494","0.0428","","","0.1079","0.1126","","","","","","1.056","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122256","10.9135","0.0006","21.3956","0.0012","11.3491","0.0007","90","","98.669","0.001","90","","2619.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 B2 F8 Fe N9 -","- C19 H27 B2 F8 Fe N9 -","- C76 H108 B8 F32 Fe4 N36 -","4","1","","Sanders, Brian C.; Hassan, Sayed M.; Harrop, Todd C.","NO2(-) Activation and Reduction to NO by a Nonheme Fe(NO2)2 Complex.","Journal of the American Chemical Society","2014","136","29","10230","10233","10.1021/ja505236x","","","0.71073","MoKα","","0.0374","0.0331","","","0.09","0.0939","","","","","","1.034","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122257","9.9038","0.0004","10.2229","0.0004","19.6958","0.0009","83.143","0.002","86.242","0.002","65.473","0.002","1800.92","0.13","193","2","193","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C40 H40 Au O4 P Si -","- C40 H40 Au O4 P Si -","- C80 H80 Au2 O8 P2 Si2 -","2","1","","Joost, Maximilian; Estevez, Laura; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Mechanisms of syn-Insertion of Alkynes and Allenes into Gold-Silicon Bonds: A Comprehensive Experimental/Theoretical Study.","Journal of the American Chemical Society","2014","136","29","10373","10382","10.1021/ja504024h","","x-ray","0.71073","MoKα","","0.0165","0.0148","","","0.0359","0.0366","","","","","","1.076","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122258","10.8649","0.0004","23.9209","0.0008","14.8877","0.0006","90","","100.449","0.002","90","","3805.1","0.2","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H43 Au O4 P Si -","- C43 H43 Au O4 P Si -","- C172 H172 Au4 O16 P4 Si4 -","4","1","","Joost, Maximilian; Estevez, Laura; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Mechanisms of syn-Insertion of Alkynes and Allenes into Gold-Silicon Bonds: A Comprehensive Experimental/Theoretical Study.","Journal of the American Chemical Society","2014","136","29","10373","10382","10.1021/ja504024h","","x-ray","0.71073","MoKα","","0.0374","0.0236","","","0.0474","0.0521","","","","","","1.024","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122259","11.053","0.002","18.656","0.004","22.247","0.004","90","","96.86","0.03","90","","4554.6","1.5","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sc3C2@C80(C7H7)l1.5CS2","","","- C90.5 H7 S3 Sc3 -","- C90.5 H7 S3 Sc3 -","- C362 H28 S12 Sc12 -","4","1","","Fang, Hongyun; Cong, Hailin; Suzuki, Mitsuaki; Bao, Lipiao; Yu, Bing; Xie, Yunpeng; Mizorogi, Naomi; Olmstead, Marilyn M.; Balch, Alan L.; Nagase, Shigeru; Akasaka, Takeshi; Lu, Xing","Regioselective Benzyl Radical Addition to an Open-Shell Cluster Metallofullerene. Crystallographic Studies of Cocrystallized Sc3C2@Ih-C80 and Its Singly Bonded Derivative.","Journal of the American Chemical Society","2014","136","29","10534","10540","10.1021/ja505858y","","","0.71073","MoKα","","0.0936","0.0866","","","0.2424","0.2535","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122260","26.788","0.003","16.9531","0.0019","17.6337","0.0017","90","","106.517","0.006","90","","7677.7","1.4","90","2","90","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Sc3C2@Ih(7)-C80/Ni(OEP)/1.5(benzene)/1.0(CS2)","","","- C128 H53 N4 Ni S2 Sc3 -","- C128 H53 N4 Ni S2 Sc3 -","- C512 H212 N16 Ni4 S8 Sc12 -","4","0.5","","Fang, Hongyun; Cong, Hailin; Suzuki, Mitsuaki; Bao, Lipiao; Yu, Bing; Xie, Yunpeng; Mizorogi, Naomi; Olmstead, Marilyn M.; Balch, Alan L.; Nagase, Shigeru; Akasaka, Takeshi; Lu, Xing","Regioselective Benzyl Radical Addition to an Open-Shell Cluster Metallofullerene. Crystallographic Studies of Cocrystallized Sc3C2@Ih-C80 and Its Singly Bonded Derivative.","Journal of the American Chemical Society","2014","136","29","10534","10540","10.1021/ja505858y","","","0.71073","MoKα","","0.1133","0.0813","","","0.2206","0.2501","","","","","","1.06","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122261","11.9905","0.0019","15.728","0.002","16.06","0.003","90","","90","","90","","3028.7","0.8","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O -","- C19 H21 N O -","- C152 H168 N8 O8 -","8","1","","Crisenza, Giacomo E. M.; McCreanor, Niall G.; Bower, John F.","Branch-Selective, Iridium-Catalyzed Hydroarylation of Monosubstituted Alkenes via a Cooperative Destabilization Strategy.","Journal of the American Chemical Society","2014","136","29","10258","10261","10.1021/ja505776m","","","1.54178","CuKα","","0.039","0.0374","","","0.0993","0.101","","","","","","1.01","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122262","17.1067","0.0005","7.6909","0.0002","13.1373","0.0003","90","","96.004","0.002","90","","1718.94","0.08","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","1","","Crisenza, Giacomo E. M.; McCreanor, Niall G.; Bower, John F.","Branch-Selective, Iridium-Catalyzed Hydroarylation of Monosubstituted Alkenes via a Cooperative Destabilization Strategy.","Journal of the American Chemical Society","2014","136","29","10258","10261","10.1021/ja505776m","","","0.71073","MoKα","","0.0929","0.0473","","","0.0998","0.1197","","","","","","1.01","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122263","7.5638","0.0002","13.0804","0.0003","19.4333","0.0004","90","","90","","90","","1922.68","0.08","99.96","","99.96","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N O3 -","- C21 H22 Br N O3 -","- C84 H88 Br4 N4 O12 -","4","1","","Lee, Anna; Younai, Ashkaan; Price, Christopher K.; Izquierdo, Javier; Mishra, Rama K.; Scheidt, Karl A.","Enantioselective annulations for dihydroquinolones by in situ generation of azolium enolates.","Journal of the American Chemical Society","2014","136","30","10589","10592","10.1021/ja505880r","","","1.54178","CuKα","","0.0217","0.0197","","","0.046","0.0469","","","","","","1.034","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122264","13.941","0.004","14.762","0.004","30.916","0.009","90","","90","","90","","6362","3","93","","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H37 Cl Ge N2 O4 -","- C37 H37 Cl Ge N2 O4 -","- C296 H296 Cl8 Ge8 N16 O32 -","8","1","","Ohkawara, Takahiro; Suzuki, Kohei; Nakano, Koji; Mori, Seiji; Nozaki, Kyoko","Facile estimation of catalytic activity and selectivities in copolymerization of propylene oxide with carbon dioxide mediated by metal complexes with planar tetradentate ligand.","Journal of the American Chemical Society","2014","136","30","10728","10735","10.1021/ja5046814","","","0.71075","MoKα","","0.0777","0.0754","","","0.1218","0.1229","","","","","","1.328","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122265","10.429","0.008","11.009","0.008","14.729","0.009","76.4","0.03","69.4","0.03","79.46","0.03","1529.2","1.9","93","","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H40 N2 O4 -","- C37 H40 N2 O4 -","- C74 H80 N4 O8 -","2","1","","Ohkawara, Takahiro; Suzuki, Kohei; Nakano, Koji; Mori, Seiji; Nozaki, Kyoko","Facile estimation of catalytic activity and selectivities in copolymerization of propylene oxide with carbon dioxide mediated by metal complexes with planar tetradentate ligand.","Journal of the American Chemical Society","2014","136","30","10728","10735","10.1021/ja5046814","","","0.71075","MoKα","","0.1462","0.1036","","","0.1859","0.2084","","","","","","1.169","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122266","13.4902","0.0009","7.8876","0.0005","20.8018","0.0014","90","","96.089","0.001","90","","2200.9","0.3","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O3 S -","- C26 H20 N2 O3 S -","- C104 H80 N8 O12 S4 -","4","1","","Hwang, Heejun; Kim, Jinwoo; Jeong, Jisu; Chang, Sukbok","Regioselective introduction of heteroatoms at the C-8 position of quinoline N-oxides: remote C-h activation using N-oxide as a stepping stone.","Journal of the American Chemical Society","2014","136","30","10770","10776","10.1021/ja5053768","","","0.71073","MoKα","","0.0818","0.0562","","","0.1502","0.187","","","","","","1.089","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122267","7.2476","0.0006","8.2748","0.0007","14.1627","0.0012","90","","96.587","0.002","90","","843.76","0.12","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 I N O -","- C9 H6 I N O -","- C36 H24 I4 N4 O4 -","4","1","","Hwang, Heejun; Kim, Jinwoo; Jeong, Jisu; Chang, Sukbok","Regioselective introduction of heteroatoms at the C-8 position of quinoline N-oxides: remote C-h activation using N-oxide as a stepping stone.","Journal of the American Chemical Society","2014","136","30","10770","10776","10.1021/ja5053768","","","0.71073","MoKα","","0.0279","0.0206","","","0.0427","0.082","","","","","","1.361","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122268","6.9399","0.0005","7.6809","0.0005","16.4129","0.0011","85.534","0.002","82.698","0.001","73.532","0.001","831.39","0.1","199","2","199","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N2 O3 S -","- C20 H16 N2 O3 S -","- C40 H32 N4 O6 S2 -","2","1","","Hwang, Heejun; Kim, Jinwoo; Jeong, Jisu; Chang, Sukbok","Regioselective introduction of heteroatoms at the C-8 position of quinoline N-oxides: remote C-h activation using N-oxide as a stepping stone.","Journal of the American Chemical Society","2014","136","30","10770","10776","10.1021/ja5053768","","","0.71073","MoKα","","0.097","0.0607","","","0.1591","0.2406","","","","","","1.115","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122269","8.2672","0.0012","14.5253","0.0019","14.507","0.002","90","","92.942","0.005","90","","1739.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cl Ir N O -","- C19 H21 Cl Ir N O -","- C76 H84 Cl4 Ir4 N4 O4 -","4","1","","Hwang, Heejun; Kim, Jinwoo; Jeong, Jisu; Chang, Sukbok","Regioselective introduction of heteroatoms at the C-8 position of quinoline N-oxides: remote C-h activation using N-oxide as a stepping stone.","Journal of the American Chemical Society","2014","136","30","10770","10776","10.1021/ja5053768","","","0.71073","MoKα","","0.0962","0.0454","","","0.067","0.0879","","","","","","1.002","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122270","9.627","0.0007","12.8045","0.0009","16.2628","0.0012","90","","90","","90","","2004.7","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 B O3 P -","- C25 H20 B O3 P -","- C100 H80 B4 O12 P4 -","4","1","","Courtemanche, Marc-André; Légaré, Marc-André; Maron, Laurent; Fontaine, Frédéric-Georges","Reducing CO2 to Methanol Using Frustrated Lewis Pairs: On the Mechanism of Phosphine-Borane-Mediated Hydroboration of CO2.","Journal of the American Chemical Society","2014","136","30","10708","10717","10.1021/ja5047846","","","0.71073","MoKα","","0.0363","0.0333","","","0.0831","0.0855","","","","","","1.043","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122271","12.6769","0.0007","14.3202","0.0007","11.4924","0.0006","90","","105.27","0.003","90","","2012.63","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 B O3 -","- C23 H29 B O3 -","- C92 H116 B4 O12 -","4","1","","Hong, Kai; Liu, Xun; Morken, James P.","Simple Access to Elusive α-Boryl Carbanions and Their Alkylation: An Umpolung Construction for Organic Synthesis.","Journal of the American Chemical Society","2014","136","30","10581","10584","10.1021/ja505455z","","","0.71073","MoKα","","0.0457","0.0377","","","0.0922","0.0977","","","","","","1.027","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122272","7.5037","0.0016","7.547","0.0016","27.474","0.006","90","","90","","90","","1555.9","0.6","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 S2 -","- C19 H16 S2 -","- C76 H64 S8 -","4","1","","Bailey, T. Spencer; Zakharov, Lev N.; Pluth, Michael D.","Understanding hydrogen sulfide storage: probing conditions for sulfide release from hydrodisulfides.","Journal of the American Chemical Society","2014","136","30","10573","10576","10.1021/ja505371z","","","0.71073","MoKα","","0.0521","0.0446","","","0.1138","0.1179","","","","","","1.025","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122273","36.837","0.01","44.172","0.012","35.269","0.01","90","","90","","90","","57388","3","130","2","130","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C330 H480 Cd35 N30 O60 Se20 -","- Cd35 Se20 -","- Cd140 Se80 -","4","0.25","","Beecher, Alexander N.; Yang, Xiaohao; Palmer, Joshua H.; LaGrassa, Alexandra L.; Juhas, Pavol; Billinge, Simon J. L.; Owen, Jonathan S.","Atomic structures and gram scale synthesis of three tetrahedral quantum dots.","Journal of the American Chemical Society","2014","136","30","10645","10653","10.1021/ja503590h","","","0.71073","MoKα","","0.2288","0.1822","","","0.4715","0.4977","","","","","","1.535","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122274","36.837","0.01","44.172","0.012","35.269","0.01","90","","90","","90","","57388","3","130","2","130","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C242 H352 Cd31 N22 O44 Se20 -","- Cd31 Se20 -","- Cd124 Se80 -","4","0.25","","Beecher, Alexander N.; Yang, Xiaohao; Palmer, Joshua H.; LaGrassa, Alexandra L.; Juhas, Pavol; Billinge, Simon J. L.; Owen, Jonathan S.","Atomic structures and gram scale synthesis of three tetrahedral quantum dots.","Journal of the American Chemical Society","2014","136","30","10645","10653","10.1021/ja503590h","","","0.71073","MoKα","","0.2458","0.1969","","","0.4961","0.5222","","","","","","1.639","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122275","17.0374","0.0012","9.1839","0.0006","26.2103","0.0018","90","","95.077","0.001","90","","4085","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H33 Cd3 N O12 -","- C44 H33 Cd3 N O12 -","- C176 H132 Cd12 N4 O48 -","4","1","","Beecher, Alexander N.; Yang, Xiaohao; Palmer, Joshua H.; LaGrassa, Alexandra L.; Juhas, Pavol; Billinge, Simon J. L.; Owen, Jonathan S.","Atomic structures and gram scale synthesis of three tetrahedral quantum dots.","Journal of the American Chemical Society","2014","136","30","10645","10653","10.1021/ja503590h","","","0.71073","MoKα","","0.0421","0.0292","","","0.0562","0.0606","","","","","","1.048","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122276","17.349","0.004","19.217","0.004","19.415","0.004","87.59","0.03","76.89","0.03","72.4","0.03","6007","3","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C114 H107 Au10 F12 N3 O P10 S4 -","- C114 H107 Au10 F12 N3 O P10 S4 -","- C228 H214 Au20 F24 N6 O2 P20 S8 -","2","1","","Yao, Liao-Yuan; Hau, Franky Ka-Wah; Yam, Vivian Wing-Wah","Addition Reaction-Induced Cluster-to-Cluster Transformation: Controlled Self-Assembly of Luminescent Polynuclear Gold(I) μ3-Sulfido Clusters.","Journal of the American Chemical Society","2014","136","30","10801","10806","10.1021/ja505599v","","","0.7499","","","0.0936","0.0926","","","0.2466","0.2484","","","","","","1.107","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122277","16.3705","0.0019","17.829","0.002","19.46","0.002","100.583","0.002","101.699","0.002","112.083","0.002","4937.9","1","303","2","303","2","","","","","","","","6","P -1","-P 1","2","","","","- C156 H136 Au12 Cl4 P12 S6 -","- C156 H136 Au12 Cl4 P12 S6 -","- C156 H136 Au12 Cl4 P12 S6 -","1","0.5","","Yao, Liao-Yuan; Hau, Franky Ka-Wah; Yam, Vivian Wing-Wah","Addition Reaction-Induced Cluster-to-Cluster Transformation: Controlled Self-Assembly of Luminescent Polynuclear Gold(I) μ3-Sulfido Clusters.","Journal of the American Chemical Society","2014","136","30","10801","10806","10.1021/ja505599v","","","0.71073","MoKα","","0.0833","0.0469","","","0.1166","0.1276","","","","","","0.916","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122278","9.262","0.0003","22.4163","0.0009","21.2155","0.0008","90","","95.996","0.002","90","","4380.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H64 Cl N O3 Si2 Ti -","- C43 H64 Cl N O3 Si2 Ti -","- C172 H256 Cl4 N4 O12 Si8 Ti4 -","4","1","","Sattler, Aaron; VanderVelde, David G.; Labinger, Jay A.; Bercaw, John E.","Lewis Acid promoted titanium alkylidene formation: off-cycle intermediates relevant to olefin trimerization catalysis.","Journal of the American Chemical Society","2014","136","30","10790","10800","10.1021/ja5055687","","","0.71073","MoKα","","0.0756","0.0535","","","0.1353","0.1472","","","","","","1.065","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122279","12.1256","0.0009","12.3667","0.001","14.8256","0.0011","92.283","0.004","94.294","0.004","106.191","0.004","2124.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H66 Cl N O2 Ti -","- C46 H66 Cl N O2 Ti -","- C92 H132 Cl2 N2 O4 Ti2 -","2","1","","Sattler, Aaron; VanderVelde, David G.; Labinger, Jay A.; Bercaw, John E.","Lewis Acid promoted titanium alkylidene formation: off-cycle intermediates relevant to olefin trimerization catalysis.","Journal of the American Chemical Society","2014","136","30","10790","10800","10.1021/ja5055687","","","0.71073","MoKα","","0.09","0.0521","","","0.1329","0.1548","","","","","","1.025","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122280","9.6385","0.0005","11.1526","0.0006","20.9436","0.0012","97.266","0.003","97.906","0.003","100.804","0.003","2163.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H69 N O2 Si2 Ti -","- C45 H69 N O2 Si2 Ti -","- C90 H138 N2 O4 Si4 Ti2 -","2","1","","Sattler, Aaron; VanderVelde, David G.; Labinger, Jay A.; Bercaw, John E.","Lewis Acid promoted titanium alkylidene formation: off-cycle intermediates relevant to olefin trimerization catalysis.","Journal of the American Chemical Society","2014","136","30","10790","10800","10.1021/ja5055687","","","0.71073","MoKα","","0.0744","0.0469","","","0.1145","0.128","","","","","","1.023","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122281","9.5811","0.0012","20.012","0.003","19.283","0.002","90","","101.171","0.004","90","","3627.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H57 N O2 Ti -","- C42 H57 N O2 Ti -","- C168 H228 N4 O8 Ti4 -","4","1","","Sattler, Aaron; VanderVelde, David G.; Labinger, Jay A.; Bercaw, John E.","Lewis Acid promoted titanium alkylidene formation: off-cycle intermediates relevant to olefin trimerization catalysis.","Journal of the American Chemical Society","2014","136","30","10790","10800","10.1021/ja5055687","","","0.71073","MoKα","","0.1128","0.0529","","","0.1008","0.1195","","","","","","1.016","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122282","11.6724","0.0011","24.209","0.002","22.364","0.002","90","","103.811","0.003","90","","6136.8","0.9","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C137 H77 Cl16 N16 O8 -","- C137 H77 Cl16 N16 O8 -","- C274 H154 Cl32 N32 O16 -","2","1","","Metz, Alison E.; Podlesny, Erin E.; Carroll, Patrick J.; Klinghoffer, Ariel N.; Kozlowski, Marisa C.","Axial Chiral Bisbenzophenazines: Solid-State Self-Assembly via Halide Hydrogen Bonds Triggered by Linear Alkanes.","Journal of the American Chemical Society","2014","136","30","10601","10604","10.1021/ja506137j","","","0.71073","MoKα","","0.0871","0.0626","","","0.1601","0.1787","","","","","","1.005","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122283","11.5344","0.0007","26.0993","0.0015","23.8255","0.0015","90","","90","","90","","7172.4","0.8","100","1","100","1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C141 H84 Cl16 N16 O8 -","- C141 H84 Cl16 N16 O8 -","- C282 H168 Cl32 N32 O16 -","2","0.5","","Metz, Alison E.; Podlesny, Erin E.; Carroll, Patrick J.; Klinghoffer, Ariel N.; Kozlowski, Marisa C.","Axial Chiral Bisbenzophenazines: Solid-State Self-Assembly via Halide Hydrogen Bonds Triggered by Linear Alkanes.","Journal of the American Chemical Society","2014","136","30","10601","10604","10.1021/ja506137j","","","0.71073","MoKα","","0.1162","0.1147","","","0.2904","0.2913","","","","","","1.083","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122284","11.7278","0.0005","18.4783","0.0008","23.7323","0.0011","90","","90","","90","","5143","0.4","143","1","143","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H22 N4 O2 -","- C34 H22 N4 O2 -","- C272 H176 N32 O16 -","8","1","","Metz, Alison E.; Podlesny, Erin E.; Carroll, Patrick J.; Klinghoffer, Ariel N.; Kozlowski, Marisa C.","Axial Chiral Bisbenzophenazines: Solid-State Self-Assembly via Halide Hydrogen Bonds Triggered by Linear Alkanes.","Journal of the American Chemical Society","2014","136","30","10601","10604","10.1021/ja506137j","","","0.71073","MoKα","","0.0443","0.0334","","","0.0824","0.0906","","","","","","1.039","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122285","15.794","0.0008","15.794","0.0008","15.1279","0.0012","90","","90","","90","","3773.7","0.4","183","2","183","2","","","","","","","","5","P 43","P 4cw","78","","","","- C15 H24 N2 O8 S -","- C15 H24 N2 O8 S -","- C120 H192 N16 O64 S8 -","8","2","","Tremmel, Peter; Geyer, Armin","An Oligomeric Ser-Pro Dipeptide Mimetic Assuming the Polyproline II Helix Conformation","Journal of the American Chemical Society","2002","124","29","8548","","10.1021/ja026098u","","","0.71073","MoKα","","0.1468","0.0586","","","0.1033","0.1267","","","","","","1.009","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122286","18.0353","0.0006","28.636","0.001","21.3624","0.0007","90","","90","","90","","11032.8","0.6","100","2","100.01","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C86 H70 F36 N8 P6 -","- C78 H65 F36 N8 P6 -","- C312 H260 F144 N32 P24 -","4","0.25","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.1415","0.1076","","","0.3413","0.3671","","","","","","1.435","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122287","18.1424","0.0006","28.4624","0.0009","21.3281","0.0006","90","","90","","90","","11013.3","0.6","100","2","99.99","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C104 H96 F36 N16 P6 -","- C104 H95.5 F36 N16 P6 -","- C416 H382 F144 N64 P24 -","4","0.5","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.0465","0.0456","","","0.1232","0.1251","","","","","","1.075","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122288","18.0778","0.0018","28.704","0.002","21.242","0.002","90","","90","","90","","11022.6","1.7","100","2","100.01","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C90 H72 F36 N8 P6 -","- C90 H71.5 F36 N8 P6 -","- C360 H286 F144 N32 P24 -","4","0.25","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.1233","0.0819","","","0.2204","0.2455","","","","","","1","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122289","18.0422","0.0007","28.4947","0.0014","21.5301","0.0007","90","","90","","90","","11068.8","0.8","100.15","","100.15","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C70 H60 F36 N8 P6 -","- C70 H60 F36 N8 P6 -","- C280 H240 F144 N32 P24 -","4","0.25","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","0.71073","MoKα","","0.115","0.0954","","","0.3324","0.3527","","","","","","1.406","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122290","18.2677","0.0008","30.7383","0.0012","21.5011","0.0009","90","","111.192","0.002","90","","11256.8","0.8","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H115 F36 N13 P6 -","- C84 H66 F36 N6 P6 -","- C336 H264 F144 N24 P24 -","4","1","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.1048","0.0933","","","0.2456","0.2529","","","","","","1.024","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122291","23.1338","0.0018","30.56","0.002","18.2064","0.0011","90","","120.757","0.005","90","","11060.9","1.4","100","2","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C90 H66 F36 N6 P6 -","- C90 H66 F36 N6 P6 -","- C360 H264 F144 N24 P24 -","4","0.5","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.1557","0.1118","","","0.2989","0.3381","","","","","","1.258","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122292","18.1032","0.0012","28.586","0.002","21.3729","0.0013","90","","90","","90","","11060.4","1.3","100","2","100","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C86 H73 F36 N9 P6 -","- C86 H73 F36 N9 P6 -","- C344 H292 F144 N36 P24 -","4","0.5","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.1569","0.1084","","","0.3388","0.3714","","","","","","1.338","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122293","18.0851","0.0005","28.5005","0.0008","21.5707","0.0006","90","","90","","90","","11118.3","0.5","100","2","99.99","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C77 H67 F36 N9 P6 -","- C77 H67 F36 N9 P6 -","- C308 H268 F144 N36 P24 -","4","0.25","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.0924","0.0696","","","0.2293","0.241","","","","","","1.055","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122294","30.6242","0.0005","30.6242","0.0005","20.9672","0.0005","90","","90","","120","","17029.4","0.6","100","2","99.99","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C108 H102 F36 N18 P6 -","- C108 H102 F36 N18 P6 -","- C648 H612 F216 N108 P36 -","6","0.333333","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.0518","0.0435","","","0.1253","0.1313","","","","","","1.062","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4122295","18.1567","0.0008","28.6627","0.0013","21.1615","0.001","90","","90","","90","","11012.9","0.9","100","2","100.01","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C79 H66 F36 N8 P6 -","- C79 H60 F36 N8 P6 -","- C316 H240 F144 N32 P24 -","4","0.25","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.1153","0.0958","","","0.3104","0.3321","","","","","","1.443","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122296","16.4947","0.0007","16.7464","0.0007","22.8838","0.001","86.675","0.002","78.45","0.002","71.512","0.002","5873.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H45.5 F24 N8.5 Sb4 -","- C45 H45.5 F24 N8.5 Sb4 -","- C180 H182 F96 N34 Sb16 -","4","2","","Barnes, Jonathan C.; Frasconi, Marco; Young, Ryan M.; Khdary, Nezar H.; Liu, Wei-Guang; Dyar, Scott M.; McGonigal, Paul R.; Gibbs-Hall, Ian C; Diercks, Christian S.; Sarjeant, Amy A.; Stern, Charlotte L.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Solid-state characterization and photoinduced intramolecular electron transfer in a nanoconfined octacationic homo[2]catenane.","Journal of the American Chemical Society","2014","136","30","10569","10572","10.1021/ja505093d","","","1.54178","CuKα","","0.1005","0.0886","","","0.2435","0.2552","","","","","","1.079","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4122297","19.4173","0.0017","17.2079","0.0015","13.992","0.0013","90","","90","","90","","4675.2","0.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C58 H42 F6 N2 O4 W -","- C58 H42 F6 N2 O4 W -","- C232 H168 F24 N8 O16 W4 -","4","1","","Zhao, Yanchuan; Markopoulos, Georgios; Swager, Timothy M.","(19)F NMR fingerprints: identification of neutral organic compounds in a molecular container.","Journal of the American Chemical Society","2014","136","30","10683","10690","10.1021/ja504110f","","","0.71073","MoKα","","0.0165","0.0148","","","0.0357","0.0363","","","","","","1.029","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122298","19.005","0.003","24.244","0.003","9.1234","0.0012","90","","96.525","0.003","90","","4176.4","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H29 F11 N2 O4 W -","- C50 H29 F11 N2 O4 W -","- C200 H116 F44 N8 O16 W4 -","4","1","","Zhao, Yanchuan; Markopoulos, Georgios; Swager, Timothy M.","(19)F NMR fingerprints: identification of neutral organic compounds in a molecular container.","Journal of the American Chemical Society","2014","136","30","10683","10690","10.1021/ja504110f","","","0.71073","MoKα","","0.0379","0.0336","","","0.0716","0.073","","","","","","1.113","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122299","21.0206","0.0005","16.0491","0.0004","14.6836","0.0004","90","","120.792","0.001","90","","4255.37","0.19","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H40 F6 N2 O6 W -","- C53 H40 F6 N2 O6 W -","- C212 H160 F24 N8 O24 W4 -","4","0.5","","Zhao, Yanchuan; Markopoulos, Georgios; Swager, Timothy M.","(19)F NMR fingerprints: identification of neutral organic compounds in a molecular container.","Journal of the American Chemical Society","2014","136","30","10683","10690","10.1021/ja504110f","","","0.71073","MoKα","","0.0147","0.0142","","","0.038","0.0382","","","","","","1.085","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122300","21.4476","0.0007","15.8488","0.0005","14.2263","0.0005","90","","120.924","0.001","90","","4148.4","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H40 F6 N2 O4 W -","- C53 H40 F6 N2 O4 W -","- C212 H160 F24 N8 O16 W4 -","4","0.5","","Zhao, Yanchuan; Markopoulos, Georgios; Swager, Timothy M.","(19)F NMR fingerprints: identification of neutral organic compounds in a molecular container.","Journal of the American Chemical Society","2014","136","30","10683","10690","10.1021/ja504110f","","","0.71073","MoKα","","0.0171","0.0165","","","0.0425","0.0428","","","","","","1.13","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122301","10.023","0.014","10.902","0.017","11.848","0.017","108.72","0.03","92.751","0.003","109.02","0.03","1142","3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H33 B O2 -","- C27 H33 B O2 -","- C54 H66 B2 O4 -","2","1","","Nagao, Kazunori; Ohmiya, Hirohisa; Sawamura, Masaya","Phosphine-catalyzed anti-carboboration of alkynoates with alkyl-, alkenyl-, and arylboranes.","Journal of the American Chemical Society","2014","136","30","10605","10608","10.1021/ja506310v","","","0.71075","MoKα","","","0.0831","","","","0.2592","","","","","","0.99","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122302","10.8175","0.0019","13.761","0.002","21.924","0.004","83.546","0.005","76.684","0.005","68.516","0.005","2953.8","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H26 Cl N O Ta -","- C17 H26 Cl N4 O Ta -","- C102 H156 Cl6 N24 O6 Ta6 -","6","3","","Chong, Eugene; Brandt, Jason W.; Schafer, Laurel L.","2-pyridonate tantalum complexes for the intermolecular hydroaminoalkylation of sterically demanding alkenes.","Journal of the American Chemical Society","2014","136","31","10898","10901","10.1021/ja506187m","","x-ray","0.71073","MoKα","","0.035","0.0274","","","0.0573","0.0599","","","","","","1.074","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122303","12.3246","0.0015","13.0655","0.0015","17.41","0.003","68.087","0.005","75.004","0.008","64.226","0.005","2326.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H71 N10 O2 Ta2 -","- C41 H71 N10 O2 Ta2 -","- C82 H142 N20 O4 Ta4 -","2","1","","Chong, Eugene; Brandt, Jason W.; Schafer, Laurel L.","2-pyridonate tantalum complexes for the intermolecular hydroaminoalkylation of sterically demanding alkenes.","Journal of the American Chemical Society","2014","136","31","10898","10901","10.1021/ja506187m","","","0.71073","MoKα","","0.0617","0.0468","","","0.117","0.1235","","","","","","1.257","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122304","7.442","0.003","11.75","0.004","12.367","0.004","74.751","0.007","81.066","0.008","84.295","0.007","1028.7","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N O -","- C26 H29 N O -","- C52 H58 N2 O2 -","2","1","","Chong, Eugene; Brandt, Jason W.; Schafer, Laurel L.","2-pyridonate tantalum complexes for the intermolecular hydroaminoalkylation of sterically demanding alkenes.","Journal of the American Chemical Society","2014","136","31","10898","10901","10.1021/ja506187m","","x-ray","0.71073","MoKα","","0.046","0.0415","","","0.1125","0.1169","","","","","","1.017","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122305","17.5861","0.0004","19.0753","0.0004","19.3177","0.0008","90","","92.707","0.003","90","","6473.1","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H20 B F24 Li -","- C98 H20 B F24 Li -","- C392 H80 B4 F96 Li4 -","4","1","","Ueno, Hiroshi; Kawakami, Hiroki; Nakagawa, Koji; Okada, Hiroshi; Ikuma, Naohiko; Aoyagi, Shinobu; Kokubo, Ken; Matsuo, Yutaka; Oshima, Takumi","Kinetic study of the diels-alder reaction of li(+)@c60 with cyclohexadiene: greatly increased reaction rate by encapsulated li(+).","Journal of the American Chemical Society","2014","136","31","11162","11167","10.1021/ja505952y","","","0.64898","synchrotron","","0.0581","0.0515","","","0.1356","0.1447","","","","","","0.817","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122306","14.723","0.0015","12.8193","0.0013","17.7642","0.0019","90","","93.866","0.001","90","","3345.2","0.6","106","2","106","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl3 P2 Pt Sb -","- C36 H28 Cl3 P2 Pt Sb -","- C144 H112 Cl12 P8 Pt4 Sb4 -","4","1","","Yang, Haifeng; Gabbaï, François P","Solution and Solid-State Photoreductive Elimination of Chlorine by Irradiation of a [PtSb](VII) Complex.","Journal of the American Chemical Society","2014","136","31","10866","10869","10.1021/ja5056164","","","0.71073","MoKα","","0.0543","0.0357","","","0.078","0.0929","","","","","","1.039","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122307","16.7945","0.0011","11.9268","0.0008","18.1227","0.0012","90","","103.958","0.001","90","","3522.9","0.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl5 P2 Pt Sb -","- C36 H28 Cl5 P2 Pt Sb -","- C144 H112 Cl20 P8 Pt4 Sb4 -","4","1","","Yang, Haifeng; Gabbaï, François P","Solution and Solid-State Photoreductive Elimination of Chlorine by Irradiation of a [PtSb](VII) Complex.","Journal of the American Chemical Society","2014","136","31","10866","10869","10.1021/ja5056164","","","0.71073","MoKα","","0.0193","0.0181","","","0.0457","0.0462","","","","","","1.046","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122308","16.015","0.002","14.1139","0.0018","10.6266","0.0014","90","","127.29","0.006","90","","1911","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N2 O10 -","- C18 H22 N2 O10 -","- C72 H88 N8 O40 -","4","0.5","","Rubinstein, Amir; Jiménez-Lozanao, Pablo; Carbó, Jorge J; Poblet, Josep M.; Neumann, Ronny","Aerobic carbon-carbon bond cleavage of alkenes to aldehydes catalyzed by first-row transition-metal-substituted polyoxometalates in the presence of nitrogen dioxide.","Journal of the American Chemical Society","2014","136","31","10941","10948","10.1021/ja502846h","","","0.71073","MoKα","","0.058","0.0361","","","0.0869","0.0982","","","","","","1.022","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122309","20.611","0.007","7.029","0.002","13.62","0.005","90","","90","","90","","1973.2","1.1","100","2","100","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C15 H12 Br2 Cu2 N7 O -","- C15 H12 Br2 Cu2 N7 O -","- C60 H48 Br8 Cu8 N28 O4 -","4","0.25","","Murdock, Christopher R.; Jenkins, David M.","Isostructural synthesis of porous metal-organic nanotubes.","Journal of the American Chemical Society","2014","136","31","10983","10988","10.1021/ja5042226","","","0.71073","MoKα","","0.0437","0.0281","","","0.0571","0.0624","","","","","","1.098","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122310","20.4733","0.0007","7.0919","0.0003","13.3346","0.0004","90","","90","","90","","1936.11","0.12","100","2","100","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C15 H12 Br2 Cu2 N7 O -","- C15 H12 Br2 Cu2 N7 O -","- C60 H48 Br8 Cu8 N28 O4 -","4","0.25","","Murdock, Christopher R.; Jenkins, David M.","Isostructural synthesis of porous metal-organic nanotubes.","Journal of the American Chemical Society","2014","136","31","10983","10988","10.1021/ja5042226","","","0.71073","MoKα","","0.05","0.0381","","","0.0975","0.1052","","","","","","1.106","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122311","21.823","0.018","14.573","0.012","7.503","0.006","90","","107.95","0.009","90","","2270","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Ag N4 O3 -","- C6 H6 Ag N4 O3 -","- C48 H48 Ag8 N32 O24 -","8","1","","Murdock, Christopher R.; Jenkins, David M.","Isostructural synthesis of porous metal-organic nanotubes.","Journal of the American Chemical Society","2014","136","31","10983","10988","10.1021/ja5042226","","","0.71073","MoKα","","0.1111","0.0999","","","0.2665","0.2726","","","","","","1.122","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122312","7.8576","0.001","24.637","0.003","13.7898","0.0017","90","","90","","90","","2669.5","0.6","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C8 H7 Ag N4 O3 -","- C8 H7 Ag N4 O3 -","- C64 H56 Ag8 N32 O24 -","8","1","","Murdock, Christopher R.; Jenkins, David M.","Isostructural synthesis of porous metal-organic nanotubes.","Journal of the American Chemical Society","2014","136","31","10983","10988","10.1021/ja5042226","","","0.71073","MoKα","","0.2075","0.1771","","","0.3726","0.3846","","","","","","1.202","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122313","25.973","0.006","6.7789","0.0015","27.596","0.006","90","","107.919","0.003","90","","4623.1","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cu2 N6 O8 S -","- C12 H12 Cu2 N6 O8 S -","- C96 H96 Cu16 N48 O64 S8 -","8","1","","Murdock, Christopher R.; Jenkins, David M.","Isostructural synthesis of porous metal-organic nanotubes.","Journal of the American Chemical Society","2014","136","31","10983","10988","10.1021/ja5042226","","","0.71073","MoKα","","0.0765","0.0474","","","0.1174","0.1267","","","","","","0.995","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122314","27.772","0.005","31.111","0.006","6.5431","0.0012","90","","90","","90","","5653.3","1.8","140","2","140","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H25 B N2 -","- C15 H25 B N2 -","- C240 H400 B16 N32 -","16","1","","Chu, Jiaxiang; Han, Xianghao; Kefalidis, Christos E.; Zhou, Jiliang; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Lewis Acid triggered reactivity of a lewis base stabilized scandium-terminal imido complex: C-h bond activation, cycloaddition, and dehydrofluorination.","Journal of the American Chemical Society","2014","136","31","10894","10897","10.1021/ja5061559","","","0.71073","MoKα","","0.0749","0.0456","","","0.0987","0.1211","","","","","","1.098","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122315","21.163","0.0005","8.5919","0.0002","10.0756","0.0003","90","","90","","90","","1832.05","0.08","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C41 H41 Fe N3 O2 -","- C41 H41 Fe N3 O2 -","- C82 H82 Fe2 N6 O4 -","2","0.5","","Chiang, Chien-Wei; Kleespies, Scott T.; Stout, Heather D.; Meier, Katlyn K.; Li, Po-Yi; Bominaar, Emile L.; Que, Jr, Lawrence; Münck, Eckard; Lee, Way-Zen","Characterization of a paramagnetic mononuclear nonheme iron-superoxo complex.","Journal of the American Chemical Society","2014","136","31","10846","10849","10.1021/ja504410s","","","0.71073","MoKα","","0.046","0.0444","","","0.1418","0.1434","","","","","","0.991","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122316","6.843","0.001","7.27","0.001","17.736","0.003","90","","98.87","0.01","90","","871.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(3S,5R)-3-(4-Methoxyphenyl)-1-oxospiro[4.5]decan-7- ylidene]malononitrile","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C40 H40 N4 O4 -","2","1","","Dell'Amico, Luca; Rassu, Gloria; Zambrano, Vincenzo; Sartori, Andrea; Curti, Claudio; Battistini, Lucia; Pelosi, Giorgio; Casiraghi, Giovanni; Zanardi, Franca","Exploring the vinylogous reactivity of cyclohexenylidene malononitriles: switchable regioselectivity in the organocatalytic asymmetric addition to enals giving highly enantioenriched carbabicyclic structures.","Journal of the American Chemical Society","2014","136","31","11107","11114","10.1021/ja5054576","","","0.71073","MoKα","","0.0468","0.0376","","","0.0932","0.0988","","","","","","1.035","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122317","8.4215","0.0009","6.9754","0.0008","13.365","0.002","90","","96.979","0.002","90","","779.29","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(1S,4S,5R,6S)-5-Formyl-4-methyl-6-phenylbicyclo[2.2.2] octan-2-ylidene]malononitrile","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C38 H36 N4 O2 -","2","1","","Dell'Amico, Luca; Rassu, Gloria; Zambrano, Vincenzo; Sartori, Andrea; Curti, Claudio; Battistini, Lucia; Pelosi, Giorgio; Casiraghi, Giovanni; Zanardi, Franca","Exploring the vinylogous reactivity of cyclohexenylidene malononitriles: switchable regioselectivity in the organocatalytic asymmetric addition to enals giving highly enantioenriched carbabicyclic structures.","Journal of the American Chemical Society","2014","136","31","11107","11114","10.1021/ja5054576","","","0.71073","MoKα","","0.0336","0.0328","","","0.0878","0.0885","","","","","","1.045","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122318","42.95","0.03","3.967","0.002","13.369","0.008","90","","98.813","0.011","90","","2251","2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Sb8 Se24 Sn5 Tl4 -","- Sb2.66667 Se8 Sn1.66667 Tl1.33333 -","- Sb16 Se48 Sn10 Tl8 -","6","0.75","","Fang, Lei; Iyer, Ratnasabapathy G.; Tan, Gangjian; West, Damien J.; Zhang, Shengbai; Kanatzidis, Mercouri G.","The New Phase [Tl4Sb6Se10][Sn5Sb2Se14]: A Naturally Formed Semiconducting Heterostructure with Two-Dimensional Conductance.","Journal of the American Chemical Society","2014","136","31","11079","11084","10.1021/ja505301y","","","0.71073","MoKα","","0.1179","0.0572","","","0.129","0.1551","","","","","","0.954","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122320","12.601","0.003","16.923","0.003","20.807","0.004","90","","90","","90","","4437","1.6","12","2","12","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","diaryltellurium acetimidate","","","- C26 H27 N3 O Te -","- C26 H27 N3 O Te -","- C208 H216 N24 O8 Te8 -","8","1","","Mallow, Ole; Bolsinger, Jens; Finke, Pamela; Hesse, Malte; Chen, Yu-Sheng; Duthie, Andrew; Grabowsky, Simon; Luger, Peter; Mebs, Stefan; Beckmann, Jens","Oxygen Transfer from an Intramolecularly Coordinated Diaryltellurium Oxide to Acetonitrile. Formation and Combined AIM and ELI-D Analysis of a Novel Diaryltellurium Acetimidate.","Journal of the American Chemical Society","2014","136","31","10870","10873","10.1021/ja505648x","","","0.4133","synchrotron","","0.066","0.034","","","0.072","0.072","0.052","","","","","1.092","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122321","11.307","0.005","11.66","0.007","23.091","0.01","91.282","0.008","100.757","0.006","118.983","0.005","2594","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Cl2NN]Cu-NHArCl3","","","- C23 H16 Cl7 Cu N3 -","- C23 H16 Cl7 Cu N3 -","- C92 H64 Cl28 Cu4 N12 -","4","2","","Jang, Eun Sil; McMullin, Claire L.; Käß, Martina; Meyer, Karsten; Cundari, Thomas R.; Warren, Timothy H.","Copper(II) Anilides in sp(3) C-H Amination.","Journal of the American Chemical Society","2014","136","31","10930","10940","10.1021/ja5026547","","","0.71073","MoKα","","0.0588","0.0472","","","0.1201","0.1248","","","","","","1.064","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122322","15.608","0.01","8.241","0.005","17.842","0.011","90","","92.945","0.008","90","","2292","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cl2NN]Cu-NH-2-pyr","","","- C22 H18 Cl4 Cu N4 -","- C22 H18 Cl4 Cu N4 -","- C88 H72 Cl16 Cu4 N16 -","4","1","","Jang, Eun Sil; McMullin, Claire L.; Käß, Martina; Meyer, Karsten; Cundari, Thomas R.; Warren, Timothy H.","Copper(II) Anilides in sp(3) C-H Amination.","Journal of the American Chemical Society","2014","136","31","10930","10940","10.1021/ja5026547","","","0.71073","MoKα","","0.0345","0.0296","","","0.0727","0.0772","","","","","","0.996","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122323","12.826","0.006","11.594","0.005","17.588","0.008","90","","94.677","0.006","90","","2607","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cl2NN]Cu-NHArF6","","","- C25 H17 Cl4 Cu F6 N3 -","- C25 H17 Cl4 Cu F6 N3 -","- C100 H68 Cl16 Cu4 F24 N12 -","4","1","","Jang, Eun Sil; McMullin, Claire L.; Käß, Martina; Meyer, Karsten; Cundari, Thomas R.; Warren, Timothy H.","Copper(II) Anilides in sp(3) C-H Amination.","Journal of the American Chemical Society","2014","136","31","10930","10940","10.1021/ja5026547","","","0.71073","MoKα","","0.0372","0.03","","","0.0741","0.0766","","","","","","1.074","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122324","21.957","0.004","27.821","0.006","28.369","0.006","75.91","0.03","72.76","0.03","76.36","0.03","15801","6","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C277 H295 Au16 Cl2 N18 O16 S48 -","- C277 H295 Au16 Cl2 N18 O16 S48 -","- C554 H590 Au32 Cl4 N36 O32 S96 -","2","1","","Jiang, Xuan-Feng; Hau, Franky Ka-Wah; Sun, Qing-Fu; Yu, Shu-Yan; Yam, Vivian Wing-Wah","From {au(i)···au(i)}-coupled cages to the cage-built 2-d {au(i)···au(i)} arrays: au(i)···au(i) bonding interaction driven self-assembly and their ag(i) sensing and photo-switchable behavior.","Journal of the American Chemical Society","2014","136","31","10921","10929","10.1021/ja502295c","","","0.7499","","","0.1395","0.1103","","","0.299","0.3201","","","","","","1.259","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122325","26.51","0.002","39.79","0.001","39.011","0.003","90","","105.588","0.003","90","","39637","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C160 H176 Au8 N8 O8 S16 -","- C160 H176 Au8 N8 O8 S16 -","- C1280 H1408 Au64 N64 O64 S128 -","8","2","","Jiang, Xuan-Feng; Hau, Franky Ka-Wah; Sun, Qing-Fu; Yu, Shu-Yan; Yam, Vivian Wing-Wah","From {au(i)···au(i)}-coupled cages to the cage-built 2-d {au(i)···au(i)} arrays: au(i)···au(i) bonding interaction driven self-assembly and their ag(i) sensing and photo-switchable behavior.","Journal of the American Chemical Society","2014","136","31","10921","10929","10.1021/ja502295c","","","0.9001","","","0.0673","0.0645","","","0.1623","0.1671","","","","","","1.221","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122326","36.036","0.001","21.732","0.001","41.308","0.003","90","","90","","90","","32350","3","291","2","291","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C304 H320 Au16 N16 O16 S32 -","- C304 H320 Au16 N16 O16 S32 -","- C1216 H1280 Au64 N64 O64 S128 -","4","","","Jiang, Xuan-Feng; Hau, Franky Ka-Wah; Sun, Qing-Fu; Yu, Shu-Yan; Yam, Vivian Wing-Wah","From {au(i)···au(i)}-coupled cages to the cage-built 2-d {au(i)···au(i)} arrays: au(i)···au(i) bonding interaction driven self-assembly and their ag(i) sensing and photo-switchable behavior.","Journal of the American Chemical Society","2014","136","31","10921","10929","10.1021/ja502295c","","","0.7501","","","0.0459","0.0427","","","0.0958","0.0966","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122327","12.281","0.003","13.661","0.003","14.407","0.003","90","","92.245","0.004","90","","2415.2","0.9","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H40 Cl10 N4 O -","- C46 H40 Cl10 N4 O -","- C92 H80 Cl20 N8 O2 -","2","1","","Ohmatsu, Kohsuke; Kiyokawa, Mari; Ooi, Takashi","Correction to ""chiral 1,2,3-triazoliums as new cationic organic catalysts with anion-recognition ability: application to asymmetric alkylation of oxindoles"".","Journal of the American Chemical Society","2014","136","31","11195","","10.1021/ja506545z","","","0.71073","MoKα","","0.0409","0.0387","","","0.0993","0.1016","","","","","","1.022","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122328","15.9473","0.0002","14.8095","0.0002","21.5138","0.0003","90","","93.8759","0.0013","90","","5069.33","0.12","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ga{B(L)}2(OH)","","- C52 H73 B2 Ga N4 O -","- C52 H73 B2 Ga N4 O -","- C208 H292 B8 Ga4 N16 O4 -","4","1","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","1.5418","CuKα","","0.0441","0.0406","","0.0513","0.0494","0.049","","","","","","1.0967","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122329","15.11301","0.00014","18.55311","0.00017","19.57819","0.00018","90","","90","","90","","5489.59","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H82 B2 N4 Sn -","- C58 H82 B2 N4 Sn -","- C232 H328 B8 N16 Sn4 -","4","1","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","1.54184","CuKα","","0.0211","0.0203","","0.0223","0.0217","0.0216","","","","","","1.1022","","","","has coordinates","265225","2021-05-14","14:20:09",""
"4122330","31.1097","0.0002","12.833","0.00013","21.5279","0.00009","90","","90","","90","","8594.6","0.11","150","0.4","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","[{Tl{B(NArCH)2}}2{C6H10}{B(NArCH)2}].0.5(C5H12)","","- C85.25 H121 B3 N6 Tl -","- C85.25 H121 B3 N6 Tl -","- C341 H484 B12 N24 Tl4 -","4","1","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","0.71073","MoKα","","0.0262","0.0242","","0.0292","0.026","0.0253","","","","","","1.1254","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122331","11.3674","0.0001","18.7715","0.0001","24.657","0.0002","90","","90","","90","","5261.39","0.07","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H71.5 B2 Cl2 N4 Sn -","- C52 H71.5 B2 Cl2 N4 Sn -","- C208 H286 B8 Cl8 N16 Sn4 -","4","1","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","0.71073","MoKα","","0.0452","0.0399","","0.0441","0.0396","0.0386","","","","","","1.1293","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122332","39.8417","0.0003","13.1343","0.0001","45.0886","0.0004","90","","103.456","0.0008","90","","22946.9","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[{In{B(NArCH)2}}2{C6H10}]. 0.25(C6H14)","","- C223 H315 B8 In4 N16 -","- C223 H315 B8 In4 N16 -","- C892 H1260 B32 In16 N64 -","4","1","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","1.5418","CuKα","","0.0444","0.0391","","0.0257","0.0244","0.024","","","","","","1.0376","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122333","24.2497","0.0004","12.5615","0.0001","19.5541","0.0003","90","","113.287","0.0017","90","","5471.19","0.15","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","{C6H10}{B(NArCH)2}2","","- C58 H82 B2 N4 -","- C58 H82 B2 N4 -","- C232 H328 B8 N16 -","4","0.5","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","1.5418","CuKα","","0.0499","0.0451","","0.0669","0.0606","0.0595","","","","","","1.0511","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122334","31.4051","0.0002","18.7937","0.0001","18.5996","0.0001","90","","93.0737","0.0005","90","","10962","0.11","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","[{Ga{B(NArCH)2}}2{C6H10}].(C6H14)","","- C116 H168 B4 Ga2 N8 -","- C116 H168 B4 Ga2 N8 -","- C464 H672 B16 Ga8 N32 -","4","1","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","1.5418","CuKα","","0.0264","0.0254","","0.0275","0.0271","0.0269","","","","","","1.1127","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122335","18.3798","0.0002","27.1678","0.0003","19.4457","0.0002","90","","92.2554","0.001","90","","9702.47","0.18","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","In19{B(NArCH)2}}6","","- C156 H213 B6 In19 N12 -","- C156 H213 B6 In19 N12 -","- C312 H426 B12 In38 N24 -","2","0.5","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","1.5418","CuKα","","0.0955","0.0709","","0.1042","0.0881","0.0853","","","","","","1.0735","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122336","10.1486","0.0002","19.1068","0.0003","10.4402","0.0002","90","","116.444","0.001","90","","1812.61","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H56 Fe O3 P4 -","- C35 H56 Fe O3 P4 -","- C70 H112 Fe2 O6 P8 -","2","1","","Bhattacharya, Papri; Krause, Jeanette A.; Guan, Hairong","Mechanistic studies of ammonia borane dehydrogenation catalyzed by iron pincer complexes.","Journal of the American Chemical Society","2014","136","31","11153","11161","10.1021/ja5058423","","","1.54178","CuKα","","0.0463","0.039","","","0.083","0.086","","","","","","0.92","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122337","7.1363","0.0005","21.1151","0.0017","23.2821","0.0018","90","","90","","90","","3508.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H30 N2 O8 S -","- C41 H30 N2 O8 S -","- C164 H120 N8 O32 S4 -","4","1","","Ling, Fei; Li, Zexiang; Zheng, Chenguang; Liu, Xiang; Ma, Cheng","Palladium/Copper-catalyzed aerobic intermolecular cyclization of enediyne compounds and alkynes: interrupting cycloaromatization for (4 + 2) cross-benzannulation.","Journal of the American Chemical Society","2014","136","31","10914","10917","10.1021/ja506795u","","","0.71073","MoKα","","0.0863","0.0648","","","0.1501","0.1714","","","","","","1.093","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122338","11.5054","0.0009","11.633","0.0007","12.6576","0.0009","67.629","0.006","77.98","0.006","63.713","0.007","1403","0.2","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Br N O5 S -","- C32 H28 Br N O5 S -","- C64 H56 Br2 N2 O10 S2 -","2","1","","Ling, Fei; Li, Zexiang; Zheng, Chenguang; Liu, Xiang; Ma, Cheng","Palladium/Copper-catalyzed aerobic intermolecular cyclization of enediyne compounds and alkynes: interrupting cycloaromatization for (4 + 2) cross-benzannulation.","Journal of the American Chemical Society","2014","136","31","10914","10917","10.1021/ja506795u","","","0.71073","MoKα","","0.0681","0.0421","","","0.0832","0.0946","","","","","","1.023","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122339","14.7523","0.0014","8.2733","0.0009","17.2655","0.0015","90","","93.721","0.008","90","","2102.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 O4 -","- C25 H22 O4 -","- C100 H88 O16 -","4","1","","Ling, Fei; Li, Zexiang; Zheng, Chenguang; Liu, Xiang; Ma, Cheng","Palladium/Copper-catalyzed aerobic intermolecular cyclization of enediyne compounds and alkynes: interrupting cycloaromatization for (4 + 2) cross-benzannulation.","Journal of the American Chemical Society","2014","136","31","10914","10917","10.1021/ja506795u","","","0.71073","MoKα","","0.091","0.0533","","","0.1249","0.1496","","","","","","1.03","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122340","11.429","0.004","14.606","0.005","18.998","0.007","90","","93.961","0.006","90","","3163.8","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cl4 I3 In N4 -","- C26 H20 Cl4 I3 In N4 -","- C104 H80 Cl16 I12 In4 N16 -","4","1","","Surendra, Karavadhi; Corey, E. J.","Diiodoindium(III) Cation, InI2(+), a Potent Yneophile. Generation and Application to Cationic Cyclization by Selective π-Activation of C\τb C.","Journal of the American Chemical Society","2014","136","31","10918","10920","10.1021/ja506502p","","","0.71073","MoKα","","0.0556","0.0469","","","0.1358","0.1425","","","","","","1.036","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122341","18.9078","0.0002","9.9378","0.0001","21.7123","0.0002","90","","90","","90","","4079.78","0.07","180","2","180","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","[Mo2(MeOPhNCHNPhOMe)2(ThCO2)2]","","","- C40 H36 Mo2 N4 O8 S2 -","- C40 H36 Mo2 N4 O8 S2 -","- C160 H144 Mo8 N16 O32 S8 -","4","0.5","","Brown-Xu, Samantha E; Chisholm, Malcolm H.; Durr, Christopher B.; Gustafson, Terry L.; Spilker, Thomas F.","Photophysical Properties of cis-Mo2 Quadruply Bonded Complexes and Observation of Photoinduced Electron Transfer to Titanium Dioxide.","Journal of the American Chemical Society","2014","136","32","11428","11435","10.1021/ja504944d","","x-ray","0.71073","MoKα","","0.0492","0.0289","","","0.0651","0.0713","","","","","","1.022","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122342","12.7307","0.0006","9.8601","0.0003","17.6478","0.001","90","","90","","90","","2215.26","0.18","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C21 H19 Cu N7 O5 -","- C21 H19 Cu N7 O5 -","- C84 H76 Cu4 N28 O20 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.0651","0.0586","","","0.2439","0.2499","","","","","","1.1","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122343","12.5529","0.0005","9.9941","0.0004","17.6881","0.0008","90","","90","","90","","2219.06","0.16","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H12 Cu N6 O4 -","- C18 H12 Cu N6 O4 -","- C72 H48 Cu4 N24 O16 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.0531","0.0368","","","0.1036","0.1143","","","","","","1.039","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122344","12.6065","0.0008","10.137","0.001","17.5701","0.0012","90","","90","","90","","2245.3","0.3","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H14 Cu N6 O5 -","- C18 H14 Cu N6 O5 -","- C72 H56 Cu4 N24 O20 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.1106","0.0669","","","0.1926","0.234","","","","","","1.051","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122345","12.6285","0.0009","10.0104","0.0007","17.6492","0.001","90","","90","","90","","2231.1","0.3","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H12 Cu N6 O4 -","- C18 H12 Cu N6 O4 -","- C72 H48 Cu4 N24 O16 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.0871","0.0572","","","0.1304","0.1496","","","","","","1.051","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122346","12.3348","0.0009","9.936","0.0007","17.8259","0.0014","90","","90","","90","","2184.7","0.3","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18.75 H12 Cu N6 O5.5 -","- C18.75 H12 Cu N6 O5.5 -","- C75 H48 Cu4 N24 O22 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.1224","0.0637","","","0.1773","0.2099","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122347","12.6868","0.0009","9.9923","0.0006","17.6153","0.0007","90","","90","","90","","2233.1","0.2","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H12 Cu N6 O4 -","- C18 H12 Cu N6 O4 -","- C72 H48 Cu4 N24 O16 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.1071","0.0506","","","0.1414","0.168","","","","","","1.017","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122348","6.221","0.0008","6.9277","0.0009","12.0077","0.0016","81.138","0.002","88.858","0.001","71.3","0.002","484.09","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cu N6 O8 -","- C18 H20 Cu N6 O8 -","- C18 H20 Cu N6 O8 -","1","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.0296","0.0282","","","0.069","0.0698","","","","","","1.099","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122349","37.143","0.005","13.161","0.003","34.426","0.005","90","","93.675","0.01","90","","16794","5","100","2","100.01","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C114 H140 F48 N12 O20 P8 Pt2 S8 -","- C114 H140 F48 N12 O20 P8 Pt2 S8 -","- C456 H560 F192 N48 O80 P32 Pt8 S32 -","4","0.5","","Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Mechanical bonds and topological effects in radical dimer stabilization.","Journal of the American Chemical Society","2014","136","31","11011","11026","10.1021/ja504662a","","","1.54178","CuKα","","0.1189","0.0848","","","0.2084","0.2244","","","","","","1.074","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122350","13.7152","0.0005","20.7673","0.0007","33.7422","0.001","105.106","0.002","92.137","0.002","103.604","0.002","8968.4","0.5","100","2","100.04","","","","","","","","","8","P -1","-P 1","2","","","","- C128 H158 F45 N18 O22 P7 Pd2 S8 -","- C128 H158 F45 N18 O22 P7 Pd2 S8 -","- C256 H316 F90 N36 O44 P14 Pd4 S16 -","2","1","","Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Mechanical bonds and topological effects in radical dimer stabilization.","Journal of the American Chemical Society","2014","136","31","11011","11026","10.1021/ja504662a","","","1.54178","CuKα","","0.1481","0.1274","","","0.375","0.3933","","","","","","1.609","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122351","13.8756","0.0005","17.1561","0.0007","21.5948","0.0008","72.636","0.002","71.569","0.002","68.962","0.001","4451.5","0.3","100","2","99.96","","","","","","","","","8","P -1","-P 1","2","","","","- C130 H164 F42 N20 O28 P7 Pt2 S10 -","- C130 H164 F42 N20 O28 P7 Pt2 S10 -","- C130 H164 F42 N20 O28 P7 Pt2 S10 -","1","0.5","","Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Mechanical bonds and topological effects in radical dimer stabilization.","Journal of the American Chemical Society","2014","136","31","11011","11026","10.1021/ja504662a","","","1.54178","CuKα","","0.0753","0.0645","","","0.1744","0.1857","","","","","","1.112","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122352","35.6937","0.001","12.349","0.0004","39.6287","0.0011","90","","99.3191","0.0019","90","","17237.1","0.9","100","2","100.05","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C118 H146 F48 N14 O20 P8 Pt2 S8 -","- C118 H146 F47.988 N14 O20 P7.998 Pt2 S8 -","- C472 H584 F191.952 N56 O80 P31.992 Pt8 S32 -","4","0.5","","Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Mechanical bonds and topological effects in radical dimer stabilization.","Journal of the American Chemical Society","2014","136","31","11011","11026","10.1021/ja504662a","","","1.54178","CuKα","","0.1332","0.1208","","","0.3123","0.3193","","","","","","1.168","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122353","35.8988","0.0019","12.3423","0.0006","39.878","0.002","90","","100.002","0.004","90","","17400.4","1.5","100","2","99.99","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C114 H140 F48 N12 O20 P8 Pd2 S8 -","- C114 H140 F47.988 N12 O20 P7.998 Pd2 S8 -","- C456 H560 F191.952 N48 O80 P31.992 Pd8 S32 -","4","0.5","","Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Mechanical bonds and topological effects in radical dimer stabilization.","Journal of the American Chemical Society","2014","136","31","11011","11026","10.1021/ja504662a","","","1.54178","CuKα","","0.1534","0.1249","","","0.3567","0.3771","","","","","","1.541","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122354","20.9976","0.0011","33.2264","0.0017","26.4897","0.0015","90","","100.672","0.003","90","","18161.5","1.7","100","2","99.99","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C140 H179 F48 N25 O20 P8 Pt2 S8 -","- C140 H179 F48 N25 O20 P8 Pt2 S8 -","- C560 H716 F192 N100 O80 P32 Pt8 S32 -","4","1","","Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Mechanical bonds and topological effects in radical dimer stabilization.","Journal of the American Chemical Society","2014","136","31","11011","11026","10.1021/ja504662a","","","1.54178","CuKα","","0.0661","0.0544","","","0.1385","0.1454","","","","","","1.035","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122355","17.1706","0.0008","20.6416","0.001","27.7781","0.0014","104.377","0.002","102.42","0.002","99.953","0.002","9043.6","0.8","100","2","99.99","","","","","","","","","9","P -1","-P 1","2","","","","- C132 H167 Cl2 F42 N21 O28 P7 Pt2 S8 -","- C132 H167 Cl2 F42 N21 O28 P7 Pt2 S8 -","- C264 H334 Cl4 F84 N42 O56 P14 Pt4 S16 -","2","1","","Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Mechanical bonds and topological effects in radical dimer stabilization.","Journal of the American Chemical Society","2014","136","31","11011","11026","10.1021/ja504662a","","","1.54178","CuKα","","0.061","0.0581","","","0.1591","0.1617","","","","","","1.034","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122356","9.835","0.005","15.598","0.007","17.538","0.008","91.992","0.009","98.322","0.011","100.485","0.008","2612","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H69 N5 O8 S2 -","- C54 H69 N5 O8 S2 -","- C108 H138 N10 O16 S4 -","2","1","","Minami, Tsuyoshi; Liu, Yuanli; Akdeniz, Ali; Koutnik, Petr; Esipenko, Nina A.; Nishiyabu, Ryuhei; Kubo, Yuji; Anzenbacher, Jr, Pavel","Intramolecular indicator displacement assay for anions: supramolecular sensor for glyphosate.","Journal of the American Chemical Society","2014","136","32","11396","11401","10.1021/ja504535q","","","0.71075","MoKα","","0.1693","0.1031","","","0.2235","0.2604","","","","","","1.047","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122357","18.444","0.004","16.057","0.004","29.515","0.007","90","","100.282","0.003","90","","8601","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H124 Fe2 O8 S4 Ti2 -","- C88 H124 Fe2 O8 S4 Ti2 -","- C352 H496 Fe8 O32 S16 Ti8 -","4","1","","Wang, Xinke; Thevenon, Arnaud; Brosmer, Jonathan L.; Yu, Insun; Khan, Saeed I.; Mehrkhodavandi, Parisa; Diaconescu, Paula L.","Redox Control of Group 4 Metal Ring-Opening Polymerization Activity toward l-Lactide and ε-Caprolactone.","Journal of the American Chemical Society","2014","136","32","11264","11267","10.1021/ja505883u","","","0.71073","MoKα","","0.0524","0.0358","","","0.0859","0.0945","","","","","","1.022","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122358","10.836","0.007","11.793","0.007","19.921","0.012","76.643","0.006","78.145","0.006","77.061","0.006","2382","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H76 Fe N2 O4 Zr -","- C50 H76 Fe N2 O4 Zr -","- C100 H152 Fe2 N4 O8 Zr2 -","2","1","","Wang, Xinke; Thevenon, Arnaud; Brosmer, Jonathan L.; Yu, Insun; Khan, Saeed I.; Mehrkhodavandi, Parisa; Diaconescu, Paula L.","Redox Control of Group 4 Metal Ring-Opening Polymerization Activity toward l-Lactide and ε-Caprolactone.","Journal of the American Chemical Society","2014","136","32","11264","11267","10.1021/ja505883u","","","0.71073","MoKα","","0.0779","0.0601","","","0.1778","0.1913","","","","","","1.034","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122359","15.096","0.0015","21.837","0.002","15.1478","0.0015","90","","105.24","0.001","90","","4817.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Fe O4 S2 Zr -","- C48 H70 Fe O4 S2 Zr -","- C192 H280 Fe4 O16 S8 Zr4 -","4","1","","Wang, Xinke; Thevenon, Arnaud; Brosmer, Jonathan L.; Yu, Insun; Khan, Saeed I.; Mehrkhodavandi, Parisa; Diaconescu, Paula L.","Redox Control of Group 4 Metal Ring-Opening Polymerization Activity toward l-Lactide and ε-Caprolactone.","Journal of the American Chemical Society","2014","136","32","11264","11267","10.1021/ja505883u","","","0.71073","MoKα","","0.0377","0.0285","","","0.0652","0.0695","","","","","","1.028","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122360","14.473","0.005","15.609","0.006","24.403","0.012","100.831","0.006","97.394","0.006","108.14","0.004","5041","4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C80 H82 B F24 Fe O4 S2 Zr -","- C80 H82 B F24 Fe O4 S2 Zr -","- C160 H164 B2 F48 Fe2 O8 S4 Zr2 -","2","1","","Wang, Xinke; Thevenon, Arnaud; Brosmer, Jonathan L.; Yu, Insun; Khan, Saeed I.; Mehrkhodavandi, Parisa; Diaconescu, Paula L.","Redox Control of Group 4 Metal Ring-Opening Polymerization Activity toward l-Lactide and ε-Caprolactone.","Journal of the American Chemical Society","2014","136","32","11264","11267","10.1021/ja505883u","","","0.71073","MoKα","","0.1033","0.0586","","","0.1466","0.1626","","","","","","0.934","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122361","20.1882","0.0003","53.1595","0.0011","10.6226","0.0002","90","","90","","90","","11400.1","0.4","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C26 H32 B Cl Ge N4 -","- C26 H32 B Cl Ge N4 -","- C416 H512 B16 Cl16 Ge16 N64 -","16","1","","Xiong, Yun; Szilvási, Tibor; Yao, Shenglai; Tan, Gengwen; Driess, Matthias","Synthesis and Unexpected Reactivity of Germyliumylidene Hydride [:GeH](+) Stabilized by a Bis(N-heterocyclic carbene)borate Ligand.","Journal of the American Chemical Society","2014","136","32","11300","11303","10.1021/ja506824s","","","0.71073","MoKα","","0.0692","0.0645","","","0.1768","0.1831","","","","","","1.059","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122362","7.5731","0.0003","10.4197","0.0004","17.7599","0.0007","97.417","0.003","101.763","0.003","110.37","0.003","1255.27","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H33 B Ge N4 -","- C26 H33 B Ge N4 -","- C52 H66 B2 Ge2 N8 -","2","1","","Xiong, Yun; Szilvási, Tibor; Yao, Shenglai; Tan, Gengwen; Driess, Matthias","Synthesis and Unexpected Reactivity of Germyliumylidene Hydride [:GeH](+) Stabilized by a Bis(N-heterocyclic carbene)borate Ligand.","Journal of the American Chemical Society","2014","136","32","11300","11303","10.1021/ja506824s","","","1.54184","CuKα","","0.0393","0.0378","","","0.0975","0.0983","","","","","","1.068","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122363","19.2755","0.0001","15.9897","0.0001","20.4354","0.0001","90","","100.198","0.001","90","","6198.88","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H48 B2 F20 Ge N4 -","- C69 H48 B2 F20 Ge N4 -","- C276 H192 B8 F80 Ge4 N16 -","4","1","","Xiong, Yun; Szilvási, Tibor; Yao, Shenglai; Tan, Gengwen; Driess, Matthias","Synthesis and Unexpected Reactivity of Germyliumylidene Hydride [:GeH](+) Stabilized by a Bis(N-heterocyclic carbene)borate Ligand.","Journal of the American Chemical Society","2014","136","32","11300","11303","10.1021/ja506824s","","","1.54184","CuKα","","0.0458","0.0412","","","0.1091","0.1134","","","","","","1.031","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122364","12.6153","0.0001","21.4829","0.0002","28.9327","0.0003","90","","94.419","0.001","90","","7817.83","0.13","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C76 H65 B3 F20 Ge2 N8 -","- C76 H65 B3 F20 Ge2 N8 -","- C304 H260 B12 F80 Ge8 N32 -","4","0.5","","Xiong, Yun; Szilvási, Tibor; Yao, Shenglai; Tan, Gengwen; Driess, Matthias","Synthesis and Unexpected Reactivity of Germyliumylidene Hydride [:GeH](+) Stabilized by a Bis(N-heterocyclic carbene)borate Ligand.","Journal of the American Chemical Society","2014","136","32","11300","11303","10.1021/ja506824s","","","1.54184","CuKα","","0.0424","0.0387","","","0.0976","0.1001","","","","","","1.045","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122365","24.038","0.001","12.212","0.001","25.595","0.001","90","","102.96","0.001","90","","7322.1","0.7","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H80 Cu4 I4 O2 P4 Si4 -","- C64 H80 Cu4 I4 O2 P4 Si4 -","- C256 H320 Cu16 I16 O8 P16 Si16 -","4","0.5","","Benito, Quentin; Le Goff, Xavier F.; Maron, Sébastien; Fargues, Alexandre; Garcia, Alain; Martineau, Charlotte; Taulelle, Francis; Kahlal, Samia; Gacoin, Thierry; Boilot, Jean-Pierre; Perruchas, Sandrine","Polymorphic copper iodide clusters: insights into the mechanochromic luminescence properties.","Journal of the American Chemical Society","2014","136","32","11311","11320","10.1021/ja500247b","","","0.71069","MoKα","","0.0626","0.0369","","","0.1017","0.1169","","","","","","1.014","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122366","13.842","0.001","21.994","0.001","27.547","0.001","68.732","0.001","88.849","0.001","89.974","0.001","7813.5","0.7","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C65 H81 Cl3 Cu4 I4 O2 P4 Si4 -","- C64.5 H80.5 Cl1.5 Cu4 I4 O2 P4 Si4 -","- C258 H322 Cl6 Cu16 I16 O8 P16 Si16 -","4","2","","Benito, Quentin; Le Goff, Xavier F.; Maron, Sébastien; Fargues, Alexandre; Garcia, Alain; Martineau, Charlotte; Taulelle, Francis; Kahlal, Samia; Gacoin, Thierry; Boilot, Jean-Pierre; Perruchas, Sandrine","Polymorphic copper iodide clusters: insights into the mechanochromic luminescence properties.","Journal of the American Chemical Society","2014","136","32","11311","11320","10.1021/ja500247b","","","0.71069","MoKα","","0.066","0.0496","","","0.103","0.1125","","","","","","1.038","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122367","11.4948","0.0004","13.0509","0.0005","14.1702","0.0005","94.897","0.003","98.175","0.002","114.503","0.002","1889.93","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H34 Br2 Cl2 N4 O6 -","- C39 H34 Br2 Cl2 N4 O6 -","- C78 H68 Br4 Cl4 N8 O12 -","2","1","","Kundu, Pintu K.; Lerner, Avishai; Kučanda, Kristina; Leitus, Gregory; Klajn, Rafal","Cyclic Kinetics during Thermal Equilibration of an Axially Chiral Bis-Spiropyran.","Journal of the American Chemical Society","2014","136","32","11276","11279","10.1021/ja505948q","","","0.71073","MoKα","","0.0555","0.0353","","","0.081","0.0885","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122368","12.973","0.003","26.717","0.005","11.882","0.002","90","","105.3","0.03","90","","3972.3","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Br2 Cl4 N4 O6 -","- C40 H36 Br2 Cl4 N4 O6 -","- C160 H144 Br8 Cl16 N16 O24 -","4","1","","Kundu, Pintu K.; Lerner, Avishai; Kučanda, Kristina; Leitus, Gregory; Klajn, Rafal","Cyclic Kinetics during Thermal Equilibration of an Axially Chiral Bis-Spiropyran.","Journal of the American Chemical Society","2014","136","32","11276","11279","10.1021/ja505948q","","","0.71073","MoKα","","0.0597","0.0442","","","0.0895","0.0962","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122369","14.512","0.0005","22.916","0.001","12.015","0.0004","90","","113.674","0.009","90","","3659.4","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C39 H34 Br2 Cl2 N4 O6 -","- C39 H34 Br2 Cl2 N4 O6 -","- C156 H136 Br8 Cl8 N16 O24 -","4","1","","Kundu, Pintu K.; Lerner, Avishai; Kučanda, Kristina; Leitus, Gregory; Klajn, Rafal","Cyclic Kinetics during Thermal Equilibration of an Axially Chiral Bis-Spiropyran.","Journal of the American Chemical Society","2014","136","32","11276","11279","10.1021/ja505948q","","","0.71073","MoKα","","0.0378","0.0336","","","0.0763","0.0785","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122370","7.8436","0.0009","9.7124","0.0011","12.4551","0.0013","85.689","0.002","77.537","0.001","83.59","0.002","919.4","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cl4 Co2 N10 O3 -","- C36 H28 Cl4 Co2 N10 O3 -","- C36 H28 Cl4 Co2 N10 O3 -","1","0.5","","Rhine, Melody A.; Rodrigues, Andria V.; Urbauer, Ramona J Bieber; Urbauer, Jeffrey L.; Stemmler, Timothy L.; Harrop, Todd C.","Proton-Induced Reactivity of NO(-) from a {CoNO}(8) Complex.","Journal of the American Chemical Society","2014","136","36","12560","12563","10.1021/ja5064444","","","0.71073","MoKα","","0.0618","0.0494","","","0.1318","0.1418","","","","","","1.052","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122371","11.086","0.008","12.066","0.008","14.35","0.01","90","","90","","90","","1920","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Cl2 Co N6 O3 -","- C18 H13 Cl2 Co N6 O3 -","- C72 H52 Cl8 Co4 N24 O12 -","4","1","","Rhine, Melody A.; Rodrigues, Andria V.; Urbauer, Ramona J Bieber; Urbauer, Jeffrey L.; Stemmler, Timothy L.; Harrop, Todd C.","Proton-Induced Reactivity of NO(-) from a {CoNO}(8) Complex.","Journal of the American Chemical Society","2014","136","36","12560","12563","10.1021/ja5064444","","","0.71073","MoKα","","0.1396","0.0753","","","0.1195","0.1406","","","","","","1.016","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122372","13.173","0.002","17.403","0.002","17.237","0.002","90","","108.58","0.02","90","","3745.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 Cl2 Fe N2 -","- C40 H62 Cl2 Fe N2 -","- C160 H248 Cl8 Fe4 N8 -","4","1","","Samuel, Prinson P.; Mondal, Kartik Chandra; Amin Sk, Nurul; Roesky, Herbert W.; Carl, Elena; Neufeld, Roman; Stalke, Dietmar; Demeshko, Serhiy; Meyer, Franc; Ungur, Liviu; Chibotaru, Liviu F.; Christian, Jonathan; Ramachandran, Vasanth; van Tol, Johan; Dalal, Naresh S.","Electronic Structure and Slow Magnetic Relaxation of Low-Coordinate Cyclic Alkyl(amino) Carbene Stabilized Iron(I) Complexes.","Journal of the American Chemical Society","2014","136","34","11964","","10.1021/ja5043116","","","0.71073","MoKα","","0.0431","0.0317","","","0.0715","0.0764","","","","","","1.033","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122373","11.224","0.002","19.524","0.003","16.903","0.002","90","","97.29","0.02","90","","3674.1","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 Cl Fe N2 -","- C40 H62 Cl Fe N2 -","- C160 H248 Cl4 Fe4 N8 -","4","1","","Samuel, Prinson P.; Mondal, Kartik Chandra; Amin Sk, Nurul; Roesky, Herbert W.; Carl, Elena; Neufeld, Roman; Stalke, Dietmar; Demeshko, Serhiy; Meyer, Franc; Ungur, Liviu; Chibotaru, Liviu F.; Christian, Jonathan; Ramachandran, Vasanth; van Tol, Johan; Dalal, Naresh S.","Electronic Structure and Slow Magnetic Relaxation of Low-Coordinate Cyclic Alkyl(amino) Carbene Stabilized Iron(I) Complexes.","Journal of the American Chemical Society","2014","136","34","11964","","10.1021/ja5043116","","","0.71073","MoKα","","0.0338","0.03","","","0.0715","0.0733","","","","","","1.031","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122374","13.666","0.002","15.211","0.002","18.071","0.003","68.51","0.02","89","0.02","68.72","0.02","3228","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H67 B F21 Fe N2 -","- C70 H67 B F20.999 Fe N2 -","- C140 H134 B2 F41.998 Fe2 N4 -","2","1","","Samuel, Prinson P.; Mondal, Kartik Chandra; Amin Sk, Nurul; Roesky, Herbert W.; Carl, Elena; Neufeld, Roman; Stalke, Dietmar; Demeshko, Serhiy; Meyer, Franc; Ungur, Liviu; Chibotaru, Liviu F.; Christian, Jonathan; Ramachandran, Vasanth; van Tol, Johan; Dalal, Naresh S.","Electronic Structure and Slow Magnetic Relaxation of Low-Coordinate Cyclic Alkyl(amino) Carbene Stabilized Iron(I) Complexes.","Journal of the American Chemical Society","2014","136","34","11964","","10.1021/ja5043116","","","0.56086","AgKα","","0.0463","0.032","","","0.0707","0.0767","","","","","","1.024","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122375","20.238","0.007","7.02","0.002","16.081","0.005","90","","104.318","0.007","90","","2213.7","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 F3 N2 O2 -","- C26 H19 F3 N2 O2 -","- C104 H76 F12 N8 O8 -","4","1","","Shang, Ming; Wang, Hong-Li; Sun, Shang-Zheng; Dai, Hui-Xiong; Yu, Jin-Quan","Cu(II)-Mediated Ortho C-H Alkynylation of (Hetero)Arenes with Terminal Alkynes.","Journal of the American Chemical Society","2014","136","33","11590","11593","10.1021/ja507704b","","","0.71073","MoKα","","0.1412","0.067","","","0.1525","0.1853","","","","","","0.991","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122376","10.0589","0.0017","8.5755","0.0014","11.8802","0.0018","90","","102.345","0.004","90","","1001.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 B N3 -","- C9 H14 B N3 -","- C36 H56 B4 N12 -","4","1","","Chrostowska, Anna; Xu, Senmiao; Mazière, Audrey; Boknevitz, Katherine; Li, Bo; Abbey, Eric R.; Dargelos, Alain; Graciaa, Alain; Liu, Shih-Yuan","UV-Photoelectron Spectroscopy of BN Indoles: Experimental and Computational Electronic Structure Analysis.","Journal of the American Chemical Society","2014","136","33","11813","11820","10.1021/ja5063899","","","0.71073","MoKα","","0.0666","0.0551","","","0.151","0.1576","","","","","","1.08","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122377","8.2531","0.0004","8.6096","0.0004","9.5178","0.0004","79.778","0.002","67.137","0.002","86.49","0.002","613.25","0.05","75","","75","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H9 F3 N3 -","- C14 H9 F3 N3 -","- C28 H18 F6 N6 -","2","1","","Constantinides, Christos P.; Berezin, Andrey A.; Zissimou, Georgia A.; Manoli, Maria; Leitus, Gregory M.; Bendikov, Michael; Probert, Michael R.; Rawson, Jeremy M.; Koutentis, Panayiotis A.","A Magnetostructural Investigation of an Abrupt Spin Transition for 1-Phenyl-3-trifluoromethyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl.","Journal of the American Chemical Society","2014","136","34","11906","","10.1021/ja5063746","","x-ray","0.71073","MoKα","","0.0429","0.0346","","","0.0768","0.0811","","","","","","1.041","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122378","8.1117","0.0006","8.6455","0.0006","9.4731","0.0007","80.493","0.003","67.797","0.003","90.205","0.004","605.05","0.08","4","","4","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H9 F3 N3 -","- C14 H9 F3 N3 -","- C28 H18 F6 N6 -","2","1","","Constantinides, Christos P.; Berezin, Andrey A.; Zissimou, Georgia A.; Manoli, Maria; Leitus, Gregory M.; Bendikov, Michael; Probert, Michael R.; Rawson, Jeremy M.; Koutentis, Panayiotis A.","A Magnetostructural Investigation of an Abrupt Spin Transition for 1-Phenyl-3-trifluoromethyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl.","Journal of the American Chemical Society","2014","136","34","11906","","10.1021/ja5063746","","x-ray","0.71073","MoKα","","0.0455","0.0352","","","0.0748","0.0808","","","","","","1.07","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122379","8.269","0.0007","8.6278","0.0005","9.5105","0.0008","79.743","0.006","67.282","0.008","86.453","0.006","615.85","0.09","99.9","0.2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H9 F3 N3 -","- C14 H9 F3 N3 -","- C28 H18 F6 N6 -","2","1","","Constantinides, Christos P.; Berezin, Andrey A.; Zissimou, Georgia A.; Manoli, Maria; Leitus, Gregory M.; Bendikov, Michael; Probert, Michael R.; Rawson, Jeremy M.; Koutentis, Panayiotis A.","A Magnetostructural Investigation of an Abrupt Spin Transition for 1-Phenyl-3-trifluoromethyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl.","Journal of the American Chemical Society","2014","136","34","11906","","10.1021/ja5063746","","","1.54184","CuKα","","0.0372","0.036","","","0.0996","0.1007","","","","","","1.07","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122380","11.2431","0.0007","10.1867","0.0006","8.9687","0.0006","90","","104.512","0.007","90","","994.41","0.11","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 -","- C10 H10 N4 -","- C40 H40 N16 -","4","1","","Weston, Claire E.; Richardson, Robert D.; Haycock, Peter R.; White, Andrew J. P.; Fuchter, Matthew J.","Arylazopyrazoles: Azoheteroarene Photoswitches Offering Quantitative Isomerization and Long Thermal Half-Lives.","Journal of the American Chemical Society","2014","136","34","11878","","10.1021/ja505444d","","","0.71073","MoKα","","0.0613","0.043","","","0.0913","0.1014","","","","","","1.021","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122381","9.3288","0.0005","8.9949","0.0004","27.023","0.0013","90","","90","","90","","2267.54","0.19","173","","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N4 -","- C12 H14 N4 -","- C96 H112 N32 -","8","1","","Weston, Claire E.; Richardson, Robert D.; Haycock, Peter R.; White, Andrew J. P.; Fuchter, Matthew J.","Arylazopyrazoles: Azoheteroarene Photoswitches Offering Quantitative Isomerization and Long Thermal Half-Lives.","Journal of the American Chemical Society","2014","136","34","11878","","10.1021/ja505444d","","","0.71073","MoKα","","0.0599","0.0457","","","0.1032","0.1114","","","","","","1.044","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122382","10.9517","0.0002","9.02967","0.00016","13.0861","0.0003","90","","105.544","0.001","90","","1246.76","0.04","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H34 N2 O2 -","- C30 H34 N2 O2 -","- C60 H68 N4 O4 -","2","1","","Azuma, Masayuki; Yoshikawa, Tetsuya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Biogenetically inspired total syntheses of lycopodium alkaloids, (+)-flabellidine and (-)-lycodine.","Journal of the American Chemical Society","2014","136","33","11618","11621","10.1021/ja507016g","","","1.54187","CuKα","","","0.05","","","","0.1137","","","","","","1.047","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122383","9.1575","0.00017","8.68997","0.00016","14.1387","0.0003","90","","110.322","0.0008","90","","1055.1","0.04","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H32 N2 O2 -","- C25 H32 N2 O2 -","- C50 H64 N4 O4 -","2","1","","Azuma, Masayuki; Yoshikawa, Tetsuya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Biogenetically inspired total syntheses of lycopodium alkaloids, (+)-flabellidine and (-)-lycodine.","Journal of the American Chemical Society","2014","136","33","11618","11621","10.1021/ja507016g","","","1.54187","CuKα","","","0.0437","","","","0.1065","","","","","","1.079","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122384","18.3618","0.0015","11.6411","0.001","25.598","0.002","90","","90","","90","","5471.6","0.8","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H32 Br2 N2 O2 -","- C30 H32 Br2 N2 O2 -","- C240 H256 Br16 N16 O16 -","8","2","","Azuma, Masayuki; Yoshikawa, Tetsuya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Biogenetically inspired total syntheses of lycopodium alkaloids, (+)-flabellidine and (-)-lycodine.","Journal of the American Chemical Society","2014","136","33","11618","11621","10.1021/ja507016g","","","0.71073","","","0.0505","0.0421","","","0.0919","0.0973","","","","","","1.037","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122385","17.0006","0.0002","20.7788","0.0003","43.9704","0.0007","90","","90.9576","0.0014","90","","15530.5","0.4","123","0.1","123","0.1","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C276 H212 B6 Cu3 F24 N22 O26 -","- C276 H212 B6 Cu3 F24 N22 O26 -","- C552 H424 B12 Cu6 F48 N44 O52 -","2","0.5","","Gütz, Christoph; Hovorka, Rainer; Struch, Niklas; Bunzen, Jens; Meyer-Eppler, Georg; Qu, Zheng-Wang; Grimme, Stefan; Topić, Filip; Rissanen, Kari; Cetina, Mario; Engeser, Marianne; Lützen, Arne","Enantiomerically Pure Trinuclear Helicates via Diastereoselective Self-Assembly and Characterization of Their Redox Chemistry.","Journal of the American Chemical Society","2014","136","33","11830","11838","10.1021/ja506327c","","","1.54184","CuKα","","0.0992","0.0855","","","0.2383","0.265","","","","","","1.069","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122386","6.8074","0.0006","21.719","0.002","7.9131","0.0007","90","","90","","90","","1169.95","0.18","200","2","200","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","0.5","","Hsu, Yen-Hao; Chen, Yi-An; Tseng, Huan-Wei; Zhang, Zhiyun; Shen, Jiun-Yi; Chuang, Wei-Ti; Lin, Tzu-Chieh; Lee, Chun-Shu; Hung, Wen-Yi; Hong, Bor-Cherng; Liu, Shih-Hung; Chou, Pi-Tai","Locked ortho- and para-Core Chromophores of Green Fluorescent Protein; Dramatic Emission Enhancement via Structural Constraint.","Journal of the American Chemical Society","2014","136","33","11805","11812","10.1021/ja5062856","","","0.71073","MoKα","","0.0419","0.0376","","","0.0908","0.0934","","","","","","1.058","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122387","10.14297","0.00019","15.8652","0.0003","15.3256","0.0003","90","","93.3717","0.0017","90","","2461.93","0.08","173","","173","","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C61 H45 Cl N2 O P2 Ru S -","- C61 H45 Cl N2 O P2 Ru S -","- C122 H90 Cl2 N4 O2 P4 Ru2 S2 -","2","1","","Moragues, María E; Toscani, Anita; Sancenón, Félix; Mart\?ínez-Máñez, Ramón; White, Andrew J. P.; Wilton-Ely, James D E T","A Chromo-Fluorogenic Synthetic ""Canary"" for CO Detection Based on a Pyrenylvinyl Ruthenium(II) Complex.","Journal of the American Chemical Society","2014","136","34","11930","11933","10.1021/ja507014a","","","0.71073","MoKα","","0.0372","0.0289","","","0.056","0.0583","","","","","","1.032","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122388","10.2934","0.0002","14.2153","0.0004","17.9941","0.0005","101.858","0.003","99.784","0.002","104.373","0.002","2427.39","0.12","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C56.5 H42 Cl2 O2 P2 Ru -","- C56 H41 Cl O2 P2 Ru -","- C112 H82 Cl2 O4 P4 Ru2 -","2","1","","Moragues, María E; Toscani, Anita; Sancenón, Félix; Mart\?ínez-Máñez, Ramón; White, Andrew J. P.; Wilton-Ely, James D E T","A Chromo-Fluorogenic Synthetic ""Canary"" for CO Detection Based on a Pyrenylvinyl Ruthenium(II) Complex.","Journal of the American Chemical Society","2014","136","34","11930","11933","10.1021/ja507014a","","","0.71073","MoKα","","0.0383","0.0309","","","0.084","0.0885","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122389","16.8857","0.0011","15.4251","0.001","17.7335","0.0012","90","","108.652","0.001","90","","4376.3","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N2 O2 S -","- C26 H22 N2 O2 S -","- C208 H176 N16 O16 S8 -","8","1","","Lee, Dong Jin; Han, Hong Sik; Shin, Jinhwan; Yoo, Eun Jeong","Multicomponent [5 + 2] cycloaddition reaction for the synthesis of 1,4-diazepines: isolation and reactivity of azomethine ylides.","Journal of the American Chemical Society","2014","136","33","11606","11609","10.1021/ja5061609","","","0.71073","MoKα","","0.1175","0.0549","","","0.1266","0.1712","","","","","","1.039","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122390","17.4891","0.0013","15.2366","0.0011","25.185","0.0018","90","","104.285","0.001","90","","6503.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 N2 O11 P8 -","- C72 H60 N2 O11 P8 -","- C288 H240 N8 O44 P32 -","4","1","","Jiang, Yanfeng; Chakarawet, Khetpakorn; Kohout, Andrea Laura; Nava, Matthew; Marino, Nadia; Cummins, Christopher C.","Dihydrogen Tetrametaphosphate, [P4O12H2](2-): Synthesis, Solubilization in Organic Media, Preparation of its Anhydride [P4O11](2-) and Acidic Methyl Ester, and Conversion to Tetrametaphosphate Metal Complexes via Protonolysis.","Journal of the American Chemical Society","2014","136","34","11894","11897","10.1021/ja5058339","","","0.71073","MoKα","","0.0581","0.0407","","","0.1009","0.1127","","","","","","1.044","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122391","12.3062","0.0011","13.1808","0.0012","21.0215","0.0018","90","","105.085","0.002","90","","3292.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H64 N2 O12 P8 -","- C72.99 H63.99 N2 O12 P8 -","- C145.98 H127.98 N4 O24 P16 -","2","0.5","","Jiang, Yanfeng; Chakarawet, Khetpakorn; Kohout, Andrea Laura; Nava, Matthew; Marino, Nadia; Cummins, Christopher C.","Dihydrogen Tetrametaphosphate, [P4O12H2](2-): Synthesis, Solubilization in Organic Media, Preparation of its Anhydride [P4O11](2-) and Acidic Methyl Ester, and Conversion to Tetrametaphosphate Metal Complexes via Protonolysis.","Journal of the American Chemical Society","2014","136","34","11894","11897","10.1021/ja5058339","","","0.71073","MoKα","","0.0796","0.0592","","","0.1558","0.1741","","","","","","1.035","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122392","11.1026","0.0013","13.4157","0.0015","26.153","0.003","99.245","0.003","98.482","0.003","92.599","0.003","3793.3","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H79 N5 O13 P8 Sn -","- C72 H60 N2 O12 P8 Sn -","- C144 H120 N4 O24 P16 Sn2 -","2","1","","Jiang, Yanfeng; Chakarawet, Khetpakorn; Kohout, Andrea Laura; Nava, Matthew; Marino, Nadia; Cummins, Christopher C.","Dihydrogen Tetrametaphosphate, [P4O12H2](2-): Synthesis, Solubilization in Organic Media, Preparation of its Anhydride [P4O11](2-) and Acidic Methyl Ester, and Conversion to Tetrametaphosphate Metal Complexes via Protonolysis.","Journal of the American Chemical Society","2014","136","34","11894","11897","10.1021/ja5058339","","","0.71073","MoKα","","0.0352","0.0299","","","0.0767","0.079","","","","","","1.044","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122393","19.9148","0.0009","16.3924","0.0007","19.9502","0.0009","90","","90","","90","","6512.8","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C72 H62 N2 O12 P8 -","- C72 H62 N2 O12 P8 -","- C288 H248 N8 O48 P32 -","4","0.5","","Jiang, Yanfeng; Chakarawet, Khetpakorn; Kohout, Andrea Laura; Nava, Matthew; Marino, Nadia; Cummins, Christopher C.","Dihydrogen Tetrametaphosphate, [P4O12H2](2-): Synthesis, Solubilization in Organic Media, Preparation of its Anhydride [P4O11](2-) and Acidic Methyl Ester, and Conversion to Tetrametaphosphate Metal Complexes via Protonolysis.","Journal of the American Chemical Society","2014","136","34","11894","11897","10.1021/ja5058339","","","0.71073","MoKα","","0.0465","0.0371","","","0.097","0.1039","","","","","","1.042","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122394","9.1075","0.0006","15.6495","0.001","24.771","0.0015","90","","96.561","0.001","90","","3507.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C153.41 H136.92 Cr2 N7.3 O24.7 P16 -","- C153.408 H136.928 Cr2 N7.296 O24.704 P16 -","- C153.408 H136.928 Cr2 N7.296 O24.704 P16 -","1","0.25","","Jiang, Yanfeng; Chakarawet, Khetpakorn; Kohout, Andrea Laura; Nava, Matthew; Marino, Nadia; Cummins, Christopher C.","Dihydrogen Tetrametaphosphate, [P4O12H2](2-): Synthesis, Solubilization in Organic Media, Preparation of its Anhydride [P4O11](2-) and Acidic Methyl Ester, and Conversion to Tetrametaphosphate Metal Complexes via Protonolysis.","Journal of the American Chemical Society","2014","136","34","11894","11897","10.1021/ja5058339","","","0.71073","MoKα","","0.0731","0.0494","","","0.1274","0.1448","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122395","8.3968","0.0007","11.0492","0.0005","15.0735","0.0005","78.892","0.005","77.533","0.011","89.288","0.006","1339.31","0.15","50","","50","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H15 O4 S12 -","- C24 H15 O4 S12 -","- C48 H30 O8 S24 -","2","1","","Ueda, Akira; Yamada, Shota; Isono, Takayuki; Kamo, Hiromichi; Nakao, Akiko; Kumai, Reiji; Nakao, Hironori; Murakami, Youichi; Yamamoto, Kaoru; Nishio, Yutaka; Mori, Hatsumi","Hydrogen-Bond-Dynamics-Based Switching of Conductivity and Magnetism: A Phase Transition Caused by Deuterium and Electron Transfer in a Hydrogen-Bonded Purely Organic Conductor Crystal.","Journal of the American Chemical Society","2014","136","34","12184","","10.1021/ja507132m","","","1","synchrotron","","","0.0497","","","","0.1435","","","","","","1.017","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122396","29.3102","0.0005","8.4609","0.0005","11.2404","0.0007","90","","100.833","0.0007","90","","2737.8","0.2","270","","270","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 O4 S12 -","- C24 H15 O4 S12 -","- C96 H60 O16 S48 -","4","0.5","","Ueda, Akira; Yamada, Shota; Isono, Takayuki; Kamo, Hiromichi; Nakao, Akiko; Kumai, Reiji; Nakao, Hironori; Murakami, Youichi; Yamamoto, Kaoru; Nishio, Yutaka; Mori, Hatsumi","Hydrogen-Bond-Dynamics-Based Switching of Conductivity and Magnetism: A Phase Transition Caused by Deuterium and Electron Transfer in a Hydrogen-Bonded Purely Organic Conductor Crystal.","Journal of the American Chemical Society","2014","136","34","12184","","10.1021/ja507132m","","","1","synchrotron","","","0.0344","","","","0.096","","","","","","1.01","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122397","29.158","0.003","15.807","0.0017","20.093","0.002","90","","127.454","0.003","90","","7351.7","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis-phosphonium-Naphthalenediimide Mono-tetraphenylborate radical cation","","","- C86 H78 B N2 O4 P2 -","- C86 H78 B N2 O4 P2 -","- C344 H312 B4 N8 O16 P8 -","4","0.5","","Kumar, Sharvan; Ajayakumar, M. R.; Hundal, Geeta; Mukhopadhyay, Pritam","Extraordinary stability of naphthalenediimide radical ion and its ultra-electron-deficient precursor: strategic role of the phosphonium group.","Journal of the American Chemical Society","2014","136","34","12004","12010","10.1021/ja504903j","","","0.71073","MoKα","","0.0901","0.0542","","","0.1239","0.1383","","","","","","0.933","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122398","11.263","0.003","12.13","0.004","12.624","0.005","105.577","0.005","101.089","0.003","110.247","0.005","1479","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Bis-phosphonium Naphthalenediimide bis-tetrafluoroborate","","","- C62 H58 B2 F8 N2 O4 P2 -","- C62 H58 B2 F8 N2 O4 P2 -","- C62 H58 B2 F8 N2 O4 P2 -","1","0.5","","Kumar, Sharvan; Ajayakumar, M. R.; Hundal, Geeta; Mukhopadhyay, Pritam","Extraordinary stability of naphthalenediimide radical ion and its ultra-electron-deficient precursor: strategic role of the phosphonium group.","Journal of the American Chemical Society","2014","136","34","12004","12010","10.1021/ja504903j","","","0.71073","MoKα","","0.0873","0.0547","","","0.1287","0.1403","","","","","","1.039","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122399","8.9765","0.001","14.1455","0.0015","22.268","0.003","90","","98.591","0.002","90","","2795.8","0.6","93","","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 Cl2 N O3 P Pd S -","- C25 H40 Cl2 N O3 P Pd S -","- C100 H160 Cl8 N4 O12 P4 Pd4 S4 -","4","1","","Ota, Yusuke; Ito, Shingo; Kuroda, Jun-Ichi; Okumura, Yoshikuni; Nozaki, Kyoko","Quantification of the Steric Influence of Alkylphosphine-Sulfonate Ligands on Polymerization, Leading to High-Molecular-Weight Copolymers of Ethylene and Polar Monomers.","Journal of the American Chemical Society","2014","136","34","11898","","10.1021/ja505558e","","","0.71075","MoKα","","0.031","0.0301","","","0.0676","0.0683","","","","","","1.124","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122400","9.359","0.002","27.437","0.007","15.074","0.004","90","","104.467","0.003","90","","3748","1.6","93","","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H56 Cl2 N O3 P Pd S -","- C33 H56 Cl2 N O3 P Pd S -","- C132 H224 Cl8 N4 O12 P4 Pd4 S4 -","4","1","","Ota, Yusuke; Ito, Shingo; Kuroda, Jun-Ichi; Okumura, Yoshikuni; Nozaki, Kyoko","Quantification of the Steric Influence of Alkylphosphine-Sulfonate Ligands on Polymerization, Leading to High-Molecular-Weight Copolymers of Ethylene and Polar Monomers.","Journal of the American Chemical Society","2014","136","34","11898","","10.1021/ja505558e","","","0.71075","MoKα","","0.043","0.0376","","","0.0795","0.0827","","","","","","1.071","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122401","13.797","0.012","8.394","0.007","18.318","0.016","90","","91.825","0.004","90","","2120","3","103.15","","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N O3 P Pd S -","- C20 H30 N O3 P Pd S -","- C80 H120 N4 O12 P4 Pd4 S4 -","4","1","","Ota, Yusuke; Ito, Shingo; Kuroda, Jun-Ichi; Okumura, Yoshikuni; Nozaki, Kyoko","Quantification of the Steric Influence of Alkylphosphine-Sulfonate Ligands on Polymerization, Leading to High-Molecular-Weight Copolymers of Ethylene and Polar Monomers.","Journal of the American Chemical Society","2014","136","34","11898","","10.1021/ja505558e","","","0.7107","MoKα","","0.0956","0.0819","","","0.1676","0.1764","","","","","","1.233","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122402","13.59","0.003","16.051","0.004","16.89","0.004","90","","111.273","0.0011","90","","3433.2","1.4","103","2","103","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Cl6 N O3 P Pd S -","- C28 H40 Cl6 N O3 P Pd S -","- C112 H160 Cl24 N4 O12 P4 Pd4 S4 -","4","1","","Ota, Yusuke; Ito, Shingo; Kuroda, Jun-Ichi; Okumura, Yoshikuni; Nozaki, Kyoko","Quantification of the Steric Influence of Alkylphosphine-Sulfonate Ligands on Polymerization, Leading to High-Molecular-Weight Copolymers of Ethylene and Polar Monomers.","Journal of the American Chemical Society","2014","136","34","11898","","10.1021/ja505558e","","","0.7107","MoKα","","0.0335","0.0308","","","0.0721","0.0737","","","","","","1.08","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122403","9.8649","0.0015","15.274","0.002","12.1669","0.0019","90","","111.051","0.0017","90","","1710.9","0.4","93","","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H54 N O3 P Pd S -","- C34 H54 N O3 P Pd S -","- C68 H108 N2 O6 P2 Pd2 S2 -","2","1","","Ota, Yusuke; Ito, Shingo; Kuroda, Jun-Ichi; Okumura, Yoshikuni; Nozaki, Kyoko","Quantification of the Steric Influence of Alkylphosphine-Sulfonate Ligands on Polymerization, Leading to High-Molecular-Weight Copolymers of Ethylene and Polar Monomers.","Journal of the American Chemical Society","2014","136","34","11898","","10.1021/ja505558e","","","0.71075","MoKα","","0.0296","0.0286","","","0.0553","0.056","","","","","","1.088","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122404","8.496","0.002","33.064","0.008","8.677","0.002","90","","107.978","0.003","90","","2318.5","0.9","93","","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 N O3 P Pd S -","- C22 H34 N O3 P Pd S -","- C88 H136 N4 O12 P4 Pd4 S4 -","4","1","","Ota, Yusuke; Ito, Shingo; Kuroda, Jun-Ichi; Okumura, Yoshikuni; Nozaki, Kyoko","Quantification of the Steric Influence of Alkylphosphine-Sulfonate Ligands on Polymerization, Leading to High-Molecular-Weight Copolymers of Ethylene and Polar Monomers.","Journal of the American Chemical Society","2014","136","34","11898","","10.1021/ja505558e","","","0.71075","MoKα","","0.0559","0.0504","","","0.107","0.111","","","","","","1.128","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122405","12.807","0.003","19.191","0.004","13.761","0.003","90","","91.137","0.009","90","","3381.5","1.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","CC4-244","hartwig54","","- C57 H79 O16 P2 Rh Si3 -","- C57 H79 O16 P2 Rh Si3 -","- C114 H158 O32 P4 Rh2 Si6 -","2","1","","Cheng, Chen; Hartwig, John F.","Mechanism of the Rhodium-Catalyzed Silylation of Arene C-H Bonds.","Journal of the American Chemical Society","2014","136","34","12064","","10.1021/ja505844k","","","0.71073","MoKα","","0.0374","0.0332","","","0.076","0.0786","","","","","","1.024","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4122406","7.9765","0.0012","13.299","0.002","18.161","0.003","90","","98.877","0.007","90","","1903.4","0.5","100","2","99.98","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O3 -","- C24 H24 O3 -","- C96 H96 O12 -","4","1","","Grenning, Alexander J.; Boyce, Jonathan H.; Porco, Jr, John A","Rapid Synthesis of Polyprenylated Acylphloroglucinol Analogs via Dearomative Conjunctive Allylic Annulation.","Journal of the American Chemical Society","2014","136","33","11799","11804","10.1021/ja5060302","","","1.54178","CuKα","","0.0444","0.0414","","","0.101","0.103","","","","","","1.075","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122407","9.1291","0.0013","10.2451","0.0015","13.7745","0.0017","101.548","0.004","93.004","0.004","100.111","0.004","1237.5","0.3","198","2","198","2","","","","","","","","5","P 1","P 1","1","ccs21feb13","","","- C42 H88 Li4 N4 O6 -","- C42 H88 Li4 N4 O6 -","- C42 H88 Li4 N4 O6 -","1","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.047","0.0429","","","0.1118","0.116","","","","","","1.035","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122408","10.214","0.002","13.715","0.003","34.474","0.007","90","","90","","90","","4829.3","1.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ccs17dec12","","","- C40 H84 Li4 N4 O6 -","- C40 H84 Li4 N4 O6 -","- C160 H336 Li16 N16 O24 -","4","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.0562","0.0448","","","0.1153","0.123","","","","","","1.039","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122409","8.9565","0.0018","10.492","0.002","18.558","0.005","89.85","0.04","82.26","0.04","65.3","0.03","1567.1","0.7","296","2","296","2","","","","","","","","5","P 1","P 1","1","ccs11dec12","","","- C54 H116 Li4 N4 O6 -","- C54 H116 Li4 N4 O6 -","- C54 H116 Li4 N4 O6 -","1","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.1767","0.0992","","","0.1818","0.2054","","","","","","1.085","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4122410","8.9946","0.0006","37.481","0.002","9.9308","0.0007","90","","105.613","0.004","90","","3224.4","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","ccs15nov12","","","- C58 H122 Li4 N4 O7 -","- C58 H122 Li4 N4 O7 -","- C116 H244 Li8 N8 O14 -","2","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.0515","0.0493","","","0.1395","0.142","","","","","","1.085","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122411","14.037","0.005","10.268","0.004","17.665","0.006","90","","105.542","0.012","90","","2453","1.5","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H88 Li4 N4 O6 -","- C40 H88 Li4 N4 O6 -","- C80 H176 Li8 N8 O12 -","2","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.0591","0.0482","","","0.1163","0.1234","","","","","","1.04","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4122412","9.5393","0.0009","15.8463","0.0014","10.6314","0.001","90","","116.505","0.003","90","","1438.2","0.2","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","ccs14jul13","","","- C25 H54 Li2 N2 O3 -","- C25 H54 Li2 N2 O3 -","- C50 H108 Li4 N4 O6 -","2","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.051","0.0432","","","0.1048","0.1107","","","","","","1.032","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122413","10.8399","0.0009","12.751","0.001","36.398","0.003","90","","90","","90","","5030.9","0.7","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ccs23feb13","","","- C42 H92 Li4 N4 O6 -","- C42 H92 Li4 N4 O6 -","- C168 H368 Li16 N16 O24 -","4","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.0787","0.072","","","0.1966","0.2028","","","","","","1.03","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122414","11.7311","0.0011","23.326","0.002","8.5134","0.0008","90","","105.081","0.001","90","","2249.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O6 -","- C27 H23 N O6 -","- C108 H92 N4 O24 -","4","1","","Nicolaou, K. C.; Hale, Christopher R. H.; Nilewski, Christian; Ioannidou, Heraklidia A.; ElMarrouni, Abdelatif; Nilewski, Lizanne G.; Beabout, Kathryn; Wang, Tim T.; Shamoo, Yousif","Total synthesis of viridicatumtoxin B and analogues thereof: strategy evolution, structural revision, and biological evaluation.","Journal of the American Chemical Society","2014","136","34","12137","12160","10.1021/ja506472u","","","0.71073","MoKα","","0.0683","0.0492","","","0.1443","0.1681","","","","","","0.987","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122415","16.0786","0.0003","10.613","0.0002","14.3637","0.0002","90","","95.66","0.0007","90","","2439.1","0.07","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 O7 -","- C29 H34 O7 -","- C116 H136 O28 -","4","1","","Nicolaou, K. C.; Hale, Christopher R. H.; Nilewski, Christian; Ioannidou, Heraklidia A.; ElMarrouni, Abdelatif; Nilewski, Lizanne G.; Beabout, Kathryn; Wang, Tim T.; Shamoo, Yousif","Total synthesis of viridicatumtoxin B and analogues thereof: strategy evolution, structural revision, and biological evaluation.","Journal of the American Chemical Society","2014","136","34","12137","12160","10.1021/ja506472u","","x-ray","1.54178","CuKα","","0.0402","0.0366","","","0.0954","0.0977","","","","","","1.046","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122416","8.416","0.004","8.646","0.004","12.186","0.005","90","","90.944","0.007","90","","886.6","0.7","150","2","149.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N4 O6 -","- C6 H4 N4 O6 -","- C24 H16 N16 O24 -","4","1","","Vo, Thao T.; Parrish, Damon A.; Shreeve, Jean'ne M.","Tetranitroacetimidic Acid: A High Oxygen Oxidizer and Potential Replacement for Ammonium Perchlorate.","Journal of the American Chemical Society","2014","136","34","11934","","10.1021/ja5074036","","","0.71073","MoKα","","0.1349","0.0987","","","0.2784","0.3233","","","","","","1.151","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122417","4.871","0.0008","4.871","0.0008","32.266","0.006","90","","90","","90","","765.6","0.2","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","1-nitrourea","","- C H3 N3 O3 -","- C H3 N3 O3 -","- C8 H24 N24 O24 -","8","1","","Vo, Thao T.; Parrish, Damon A.; Shreeve, Jean'ne M.","Tetranitroacetimidic Acid: A High Oxygen Oxidizer and Potential Replacement for Ammonium Perchlorate.","Journal of the American Chemical Society","2014","136","34","11934","","10.1021/ja5074036","","","0.71073","MoKα","","0.0261","0.0239","","","0.0656","0.0672","","","","","","1.139","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122418","11.866","0.004","6.713","0.002","10.848","0.004","90","","93.929","0.004","90","","862.1","0.5","293","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-N,2,2,2-tetranitroacetimidic acid","","- C2 H N5 O9 -","- C2 H N5 O9 -","- C8 H4 N20 O36 -","4","1","","Vo, Thao T.; Parrish, Damon A.; Shreeve, Jean'ne M.","Tetranitroacetimidic Acid: A High Oxygen Oxidizer and Potential Replacement for Ammonium Perchlorate.","Journal of the American Chemical Society","2014","136","34","11934","","10.1021/ja5074036","","","0.71073","MoKα","","0.0962","0.0775","","","0.2329","0.2577","","","","","","1.071","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122419","5.8369","0.0003","10.0255","0.0006","14.6488","0.001","99.062","0.003","90.651","0.003","97.731","0.003","838.36","0.09","150","2","150.02","","","","","","","","","6","P -1","-P 1","2","","","","- C3 H4 F0.5 N6 O13 S -","- C4 H7 F6 N5 O13 S2 -","- C8 H14 F12 N10 O26 S4 -","2","1","","Vo, Thao T.; Parrish, Damon A.; Shreeve, Jean'ne M.","Tetranitroacetimidic Acid: A High Oxygen Oxidizer and Potential Replacement for Ammonium Perchlorate.","Journal of the American Chemical Society","2014","136","34","11934","","10.1021/ja5074036","","","0.71073","MoKα","","0.0683","0.0488","","","0.1127","0.122","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122420","6.1018","0.0009","9.0572","0.0014","30.82","0.005","90","","90","","90","","1703.3","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N O3 P S -","- C18 H20 N O3 P S -","- C72 H80 N4 O12 P4 S4 -","4","1","","Henry, Christopher E.; Xu, Qihai; Fan, Yi Chiao; Martin, Tioga J.; Belding, Lee; Dudding, Travis; Kwon, Ohyun","Hydroxyproline-Derived Pseudoenantiomeric [2.2.1] Bicyclic Phosphines: Asymmetric Synthesis of (+)- and (-)-Pyrrolines.","Journal of the American Chemical Society","2014","136","34","11890","","10.1021/ja505592h","","","0.71073","MoKα","","0.0337","0.0301","","","0.0764","0.0789","","","","","","1.027","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122421","6.4382","0.0012","13.849","0.003","21.164","0.004","90","","90","","90","","1887","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Henry, Christopher E.; Xu, Qihai; Fan, Yi Chiao; Martin, Tioga J.; Belding, Lee; Dudding, Travis; Kwon, Ohyun","Hydroxyproline-Derived Pseudoenantiomeric [2.2.1] Bicyclic Phosphines: Asymmetric Synthesis of (+)- and (-)-Pyrrolines.","Journal of the American Chemical Society","2014","136","34","11890","","10.1021/ja505592h","","","0.71073","MoKα","","0.0419","0.0352","","","0.0862","0.0897","","","","","","1.035","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122422","6.3278","0.0002","10.3004","0.0002","25.6219","0.0006","90","","90","","90","","1670.01","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N O2 P S -","- C18 H20 N O2 P S -","- C72 H80 N4 O8 P4 S4 -","4","1","","Henry, Christopher E.; Xu, Qihai; Fan, Yi Chiao; Martin, Tioga J.; Belding, Lee; Dudding, Travis; Kwon, Ohyun","Hydroxyproline-Derived Pseudoenantiomeric [2.2.1] Bicyclic Phosphines: Asymmetric Synthesis of (+)- and (-)-Pyrrolines.","Journal of the American Chemical Society","2014","136","34","11890","","10.1021/ja505592h","","","1.54178","CuKα","","0.025","0.0244","","","0.064","0.0643","","","","","","1.059","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122423","9.2056","0.0018","10.937","0.002","11.481","0.002","90","","90.869","0.002","90","","1155.8","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H28 Cl N O4 S -","- C24 H28 Cl N O4 S -","- C48 H56 Cl2 N2 O8 S2 -","2","1","","Henry, Christopher E.; Xu, Qihai; Fan, Yi Chiao; Martin, Tioga J.; Belding, Lee; Dudding, Travis; Kwon, Ohyun","Hydroxyproline-Derived Pseudoenantiomeric [2.2.1] Bicyclic Phosphines: Asymmetric Synthesis of (+)- and (-)-Pyrrolines.","Journal of the American Chemical Society","2014","136","34","11890","","10.1021/ja505592h","","","0.71073","MoKα","","0.029","0.0284","","","0.0786","0.0793","","","","","","1.053","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122424","12.406","0.003","10.684","0.003","14.798","0.004","90","","96.189","0.003","90","","1950","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H22 N O3 P S -","- C22 H22 N O3 P S -","- C88 H88 N4 O12 P4 S4 -","4","2","","Henry, Christopher E.; Xu, Qihai; Fan, Yi Chiao; Martin, Tioga J.; Belding, Lee; Dudding, Travis; Kwon, Ohyun","Hydroxyproline-Derived Pseudoenantiomeric [2.2.1] Bicyclic Phosphines: Asymmetric Synthesis of (+)- and (-)-Pyrrolines.","Journal of the American Chemical Society","2014","136","34","11890","","10.1021/ja505592h","","","0.71073","MoKα","","0.0635","0.0435","","","0.0886","0.0971","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122425","27.62","0.0009","29.0891","0.0008","27.3169","0.0008","90","","90","","90","","21947.5","1.1","150","2","150","2","","","","","","","","4","P 2 2 21","P 2c 2","17","Au20(SPhBu-t)16","","","- C160 H208 Au20 S16 -","- C160 H208 Au20 S16 -","- C640 H832 Au80 S64 -","4","1","","Zeng, Chenjie; Liu, Chong; Chen, Yuxiang; Rosi, Nathaniel L.; Jin, Rongchao","Gold-Thiolate Ring as a Protecting Motif in the Au20(SR)16 Nanocluster and Implications.","Journal of the American Chemical Society","2014","136","34","11922","","10.1021/ja506802n","","","1.54178","CuKα","","0.1303","0.0568","","","0.1313","0.1663","","","","","","1.011","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122426","21.438","0.004","21.438","0.004","23.126","0.004","90","","90","","90","","10628","3","173","2","173","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- Cl5 Na O80 Si2 Sn9 W18 -","- Cl5 Na O80 Si2 Sn9 W18 -","- Cl20 Na4 O320 Si8 Sn36 W72 -","4","0.25","","Zhao, Chongchao; Glass, Elliot N.; Chica, Bryant; Musaev, Djamaladdin G.; Sumliner, Jordan M.; Dyer, R. Brian; Lian, Tianquan; Hill, Craig L.","All-Inorganic Networks and Tetramer Based on Tin(II)-Containing Polyoxometalates: Tuning Structural and Spectral Properties with Lone-Pairs.","Journal of the American Chemical Society","2014","136","34","12085","","10.1021/ja5060127","","","0.71073","MoKα","","0.1141","0.0685","","","0.155","0.1948","","","","","","1.151","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122427","21.416","0.003","21.416","0.003","23.133","0.003","90","","90","","90","","10610","3","173","2","173","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- Cl5 Ge2 Na O80 Sn9 W18 -","- Cl5 Ge2 Na O80 Sn9 W18 -","- Cl20 Ge8 Na4 O320 Sn36 W72 -","4","0.25","","Zhao, Chongchao; Glass, Elliot N.; Chica, Bryant; Musaev, Djamaladdin G.; Sumliner, Jordan M.; Dyer, R. Brian; Lian, Tianquan; Hill, Craig L.","All-Inorganic Networks and Tetramer Based on Tin(II)-Containing Polyoxometalates: Tuning Structural and Spectral Properties with Lone-Pairs.","Journal of the American Chemical Society","2014","136","34","12085","","10.1021/ja5060127","","","0.71073","MoKα","","0.1043","0.0666","","","0.1516","0.1747","","","","","","1.177","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122428","17.778","0.003","17.778","0.003","45.221","0.013","90","","90","","120","","12378","5","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Na9 O77.5 Sb2 Sn6 W18 -","- Na9 O78.47 Sb2 Sn6 W18 -","- Na54 O470.82 Sb12 Sn36 W108 -","6","0.166667","","Zhao, Chongchao; Glass, Elliot N.; Chica, Bryant; Musaev, Djamaladdin G.; Sumliner, Jordan M.; Dyer, R. Brian; Lian, Tianquan; Hill, Craig L.","All-Inorganic Networks and Tetramer Based on Tin(II)-Containing Polyoxometalates: Tuning Structural and Spectral Properties with Lone-Pairs.","Journal of the American Chemical Society","2014","136","34","12085","","10.1021/ja5060127","","","0.71073","MoKα","","0.1204","0.068","","","0.1841","0.2252","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122429","11.567","0.005","24.266","0.005","18.216","0.005","90","","95.568","0.005","90","","5089","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C121 H133 N10 V2 -","- C121 H133 N10 V2 -","- C242 H266 N20 V4 -","2","0.5","","Milsmann, Carsten; Semproni, Scott P.; Chirik, Paul J.","N-N Bond Cleavage of 1,2-Diarylhydrazines and N-H Bond Formation via H-Atom Transfer in Vanadium Complexes Supported by a Redox-Active Ligand.","Journal of the American Chemical Society","2014","136","34","12099","","10.1021/ja5062196","","","1.54184","CuKα","","0.0553","0.0413","","","0.1033","0.1108","","","","","","1.024","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122430","9.095","0.005","25.897","0.005","19.745","0.005","90","","98.202","0.005","90","","4603","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H58 N5 V -","- C55 H58 N5 V -","- C220 H232 N20 V4 -","4","1","","Milsmann, Carsten; Semproni, Scott P.; Chirik, Paul J.","N-N Bond Cleavage of 1,2-Diarylhydrazines and N-H Bond Formation via H-Atom Transfer in Vanadium Complexes Supported by a Redox-Active Ligand.","Journal of the American Chemical Society","2014","136","34","12099","","10.1021/ja5062196","","","1.54184","CuKα","","0.0525","0.0401","","","0.0956","0.1014","","","","","","1.025","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122431","9.2952","0.0005","10.6071","0.0005","11.2809","0.0005","97.188","0.001","103.871","0.001","95.533","0.002","1062.05","0.09","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","3-([1,1'-biphenyl]-4-yl)-5-(2-iodophenyl)-2-phenylfuran","","- C28 H19 I O -","- C28 H19 I O -","- C56 H38 I2 O2 -","2","1","","Lu, Beili; Wu, Junliang; Yoshikai, Naohiko","Palladium-catalyzed condensation of N-aryl imines and alkynylbenziodoxolones to form multisubstituted furans.","Journal of the American Chemical Society","2014","136","33","11598","11601","10.1021/ja5059795","","","0.71073","MoKα","","0.028","0.0248","","","0.0565","0.0583","","","","","","1.064","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122432","28.3662","0.0007","28.3662","0.0007","13.223","0.0004","90","","90","","90","","10639.8","0.5","100","2","100","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C30 H36 N2 O2 -","- C30 H36 N2 O2 -","- C480 H576 N32 O32 -","16","0.5","","Zheng, Yonghao; Miao, Mao-Sheng; Zhang, Yuan; Nguyen, Thuc-Quyen; Wudl, Fred","Striking Effect of Intra- versus Intermolecular Hydrogen Bonding on Zwitterions: Physical and Electronic Properties.","Journal of the American Chemical Society","2014","136","33","11614","11617","10.1021/ja506803y","","","0.71073","MoKα","","0.0584","0.0378","","","0.0923","0.102","","","","","","1.024","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4122433","5.9209","0.0006","10.6607","0.0012","17.0647","0.0019","90","","99.223","0.001","90","","1063.2","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H35 N O3 S Si -","- C19 H35 N O3 S Si -","- C38 H70 N2 O6 S2 Si2 -","2","1","","Choi, Junwon; Martín-Gago, Pablo; Fu, Gregory C.","Stereoconvergent Arylations and Alkenylations of Unactivated Alkyl Electrophiles: Catalytic Enantioselective Synthesis of Secondary Sulfonamides and Sulfones.","Journal of the American Chemical Society","2014","136","34","12161","","10.1021/ja506885s","","","0.71073","MoKα","","0.0308","0.0279","","","0.0669","0.069","","","","","","1.098","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122434","12.835","0.0006","5.6272","0.0003","12.9187","0.0006","90","","113.133","0.002","90","","858.03","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C34 H50 N2 O6 S2 -","2","1","","Choi, Junwon; Martín-Gago, Pablo; Fu, Gregory C.","Stereoconvergent Arylations and Alkenylations of Unactivated Alkyl Electrophiles: Catalytic Enantioselective Synthesis of Secondary Sulfonamides and Sulfones.","Journal of the American Chemical Society","2014","136","34","12161","","10.1021/ja506885s","","","0.71073","MoKα","","0.0273","0.0258","","","0.0683","0.0695","","","","","","1.073","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122435","6.2283","0.0003","13.7866","0.0007","15.3937","0.0008","90","","90","","90","","1321.81","0.12","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 S -","- C14 H20 O2 S -","- C56 H80 O8 S4 -","4","1","","Choi, Junwon; Martín-Gago, Pablo; Fu, Gregory C.","Stereoconvergent Arylations and Alkenylations of Unactivated Alkyl Electrophiles: Catalytic Enantioselective Synthesis of Secondary Sulfonamides and Sulfones.","Journal of the American Chemical Society","2014","136","34","12161","","10.1021/ja506885s","","","0.71073","MoKα","","0.0741","0.054","","","0.1115","0.1179","","","","","","1.141","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122436","42.2274","0.0019","12.4325","0.0009","24.635","0.0015","90","","120.314","0.003","90","","11164.9","1.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C116 H104 N16 O16 Ru4 -","- C116 H98 N16 O16 Ru4 -","- C464 H392 N64 O64 Ru16 -","4","0.5","","Cao, Zhi; Xi, Bin; Jodoin, Diane S.; Zhang, Lei; Cummings, Steven P.; Gao, Yang; Tyler, Sarah F.; Fanwick, Phillip E.; Crutchley, Robert J.; Ren, Tong","Diruthenium-Polyyn-diyl-Diruthenium Wires: Electronic Coupling in the Long Distance Regime.","Journal of the American Chemical Society","2014","136","34","12174","","10.1021/ja507107t","","","0.71073","MO-Kα","","0.105","0.082","","","0.201","0.215","","","","","","1.085","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122437","63.138","0.0003","63.138","0.0003","41.609","0.0003","90","","90","","120","","143648","1.4","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C184.5 H94.5 B9 Br9 F36 N18 O9 Pd4.5 -","- C184.5 H94.5 B9 Br9 F36 N18 O9 Pd4.5 -","- C1476 H756 B72 Br72 F288 N144 O72 Pd36 -","8","0.444444","","Bruns, Carson J.; Fujita, Daishi; Hoshino, Manabu; Sato, Sota; Stoddart, J. Fraser; Fujita, Makoto","Emergent Ion-Gated Binding of Cationic Host-Guest Complexes within Cationic M12L24 Molecular Flasks.","Journal of the American Chemical Society","2014","136","34","12027","","10.1021/ja505296e","","","0.75","synchrotron","","0.2598","0.2139","","","0.4951","0.5207","","","","","","1.976","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122438","24.636","0.0007","13.136","0.0003","48.4001","0.0012","90","","98.9838","0.0017","90","","15471","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C77 H69.5 Br F24 N7.5 O6 P4 -","- C77 H69.5 Br F24 N7.5 O6 P4 -","- C616 H556 Br8 F192 N60 O48 P32 -","8","1","","Bruns, Carson J.; Fujita, Daishi; Hoshino, Manabu; Sato, Sota; Stoddart, J. Fraser; Fujita, Makoto","Emergent Ion-Gated Binding of Cationic Host-Guest Complexes within Cationic M12L24 Molecular Flasks.","Journal of the American Chemical Society","2014","136","34","12027","","10.1021/ja505296e","","","1.54178","CuKα","","0.0719","0.0508","","","0.113","0.1227","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122439","10.3162","0.0013","10.3415","0.0012","13.3153","0.0016","76.268","0.003","85.716","0.003","63.111","0.003","1229.9","0.3","183","2","183","2","","","","","","","","6","P -1","-P 1","2","esk15jan14","","","- C44 H68 Fe2 N2 O4 S6 -","- C44 H68 Fe2 N2 O4 S6 -","- C44 H68 Fe2 N2 O4 S6 -","1","0.5","","Tran, Camly T.; Williard, Paul G.; Kim, Eunsuk","Nitric Oxide Reactivity of [2Fe-2S] Clusters Leading to H2S Generation.","Journal of the American Chemical Society","2014","136","34","11874","","10.1021/ja505415c","","","0.71073","","","0.0267","0.0238","","","0.0657","0.068","","","","","","1.006","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122440","25.8595","0.001","25.8595","","6.7766","0.0004","90","","90","","120","","3924.5","0.3","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C4 H2.05 Co O3 -","- C4 H2.046 Co O3 -","- C72 H36.828 Co18 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.0775","","","","","","","","","0.03547","","0.99","","","","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122441","25.8419","0.0017","25.8419","","6.781","0.0007","90","","90","","120","","3921.7","0.5","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H Co D1.69 O3 -","- C4 H Co D1.69 O3 -","- C72 H18 Co18 D30.42 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.05711","","0.91","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122442","25.8734","0.0023","25.8734","","6.7677","0.0009","90","","90","","120","","3923.5","0.6","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C4 H Co O3 -","- C4 H Co O3 -","- C72 H18 Co18 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.06401","","0.93","","","","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122443","25.8781","0.001","25.8781","","6.88197","0.00033","90","","90","","120","","3991.2","0.2","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H Co D4.92 O3 -","- C4 H Co D4.912 O3 -","- C72 H18 Co18 D88.416 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.07748","","1.21","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122444","25.776","0.005","25.776","","6.7544","0.0017","90","","90","","120","","3886.4","1.2","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H D3.85 Ni O3 -","- C4 H D3.855 Ni O3 -","- C72 H18 D69.39 Ni18 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.14026","","1.29","","","","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122445","25.8923","0.0017","25.8923","","6.8115","0.0006","90","","90","","120","","3954.7","0.4","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H Co D5.63 O3 -","- C4 H Co D5.62762 O3 -","- C72 H18 Co18 D101.297 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.05497","","0.93","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122446","25.8826","0.001","25.8826","","6.803","0.0004","90","","90","","120","","3946.8","0.3","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H Co D3.47 O3 -","- C4 H Co D3.474 O3 -","- C72 H18 Co18 D62.532 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.05113","","1.16","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122447","25.749","0.004","25.749","","6.739","0.0012","90","","90","","120","","3869.4","0.9","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H D1.97 Ni O3 -","- C4 H D1.97 Ni O3 -","- C72 H18 D35.46 Ni18 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.06133","","0.99","","","","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122448","25.8806","0.0017","25.8806","","6.8038","0.0006","90","","90","","120","","3946.7","0.4","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H Co D3.73 O3 -","- C4 H Co D3.94262 O3 -","- C72 H18 Co18 D70.9672 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.06241","","0.93","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122449","25.8902","0.0007","25.8902","","6.79046","0.00029","90","","90","","120","","3941.9","0.2","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C4 H Co O3 -","- C4 H1.5 Co O3 -","- C72 H27 Co18 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","x-ray","0.7291","","","","","","","","","0.1551","","2.12","","","","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122450","25.8518","0.0012","25.8518","","6.7881","0.0005","90","","90","","120","","3928.8","0.3","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H Co D2.37 O3 -","- C4 H Co D2.37 O3 -","- C72 H18 Co18 D42.66 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.04809","","1.06","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122451","25.802","0.005","25.802","","6.7613","0.0017","90","","90","","120","","3898.2","1.2","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H D5.77 Ni O3 -","- C4 H2 D5.77 Ni O3 -","- C72 H36 D103.86 Ni18 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.13436","","1.24","","","","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122452","25.8707","0.001","25.8707","","6.8687","0.0004","90","","90","","120","","3981.3","0.3","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H Co D1.59 O3 -","- C4 H Co D1.589 O3 -","- C72 H18 Co18 D28.602 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.08687","","1.16","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122453","25.8521","0.0018","25.8521","","6.7898","0.0007","90","","90","","120","","3929.9","0.5","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H Co D2.71 O3 -","- C4 H Co D2.71 O3 -","- C72 H18 Co18 D48.78 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.0811","","0.94","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122454","25.9008","0.0011","25.9008","","6.8104","0.0004","90","","90","","120","","3956.7","0.3","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H Co D4.49 O3 -","- C4 H Co D5.012 O3 -","- C72 H18 Co18 D90.216 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.05108","","1.07","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122455","25.797","0.005","25.797","","6.7292","0.0017","90","","90","","120","","3878.2","1.2","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C4 H Ni O3 -","- C4 H Ni O3 -","- C72 H18 Ni18 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.08281","","1.09","","","","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122456","9.2299","0.0005","16.0158","0.0008","31.6935","0.0014","90","","90","","90","","4685.1","0.4","295.5","0.3","295.5","0.3","","","","","","","","4","F 2 d d","F -2d 2","43","Gd13Fe10C12.02O0.98","","","- C12.02 Fe10 Gd13 O0.98 -","- C12.02 Fe10 Gd13 O0.98 -","- C96.16 Fe80 Gd104 O7.84 -","8","0.5","","Hadler, Amelia B.; Yannello, Vincent J.; Bi, Wenli; Alp, E. Ercan; Fredrickson, Daniel C.","π-Conjugation in Gd13Fe10C13 and Its Oxycarbide: Unexpected Connections between Complex Carbides and Simple Organic Molecules.","Journal of the American Chemical Society","2014","136","34","12073","","10.1021/ja505868w","","x-ray","0.7107","MoKα","","0.0274","0.0243","","","0.0507","0.0523","","","","1.07","1.07","1.06","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122457","9.4878","0.0013","23.854","0.003","28.076","0.004","88.995","0.003","83.354","0.003","87.937","0.003","6306.9","1.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Ge9Tl-(Si(Si(CH3)3)3)3","","- C27 H81 Ge9 Si12 Tl -","- C27 H81 Ge9 Si12 Tl -","- C108 H324 Ge36 Si48 Tl4 -","4","2","","Li, Feng; Sevov, Slavi C.","Synthesis, structures, and solution dynamics of tetrasubstituted nine-atom germanium deltahedral clusters.","Journal of the American Chemical Society","2014","136","34","12056","12063","10.1021/ja505826x","","","0.71073","MoKα","","0.049","0.0348","","","0.0781","0.0898","","","","","","0.988","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122458","23.163","0.005","23.872","0.005","23.166","0.005","90","","99.96","0.03","90","","12617","5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","EthyltrisupersilylGe9","","","- C29 H86 Ge9 Si12 -","- C29 H86 Ge9 Si12 -","- C232 H688 Ge72 Si96 -","8","2","","Li, Feng; Sevov, Slavi C.","Synthesis, structures, and solution dynamics of tetrasubstituted nine-atom germanium deltahedral clusters.","Journal of the American Chemical Society","2014","136","34","12056","12063","10.1021/ja505826x","","","0.71073","MoKα","","0.0571","0.035","","","0.0699","0.0793","","","","","","1.012","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122459","64.496","0.014","64.496","0.014","22.031","0.005","90","","90","","120","","79365","3","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C39 H108 Ge9 Si12 Sn -","- C39 H108 Ge9 Si12 Sn -","- C1638 H4536 Ge378 Si504 Sn42 -","42","2.33333","","Li, Feng; Sevov, Slavi C.","Synthesis, structures, and solution dynamics of tetrasubstituted nine-atom germanium deltahedral clusters.","Journal of the American Chemical Society","2014","136","34","12056","12063","10.1021/ja505826x","","","0.71073","MoKα","","0.2022","0.1028","","","0.242","0.2883","","","","","","0.949","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122460","10.3059","0.0006","12.9893","0.0007","17.987","0.001","90","","98.516","0.001","90","","2381.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26.5 H25 N2 O0.5 S2 -","- C26.5 H25 N2 O0.5 S2 -","- C106 H100 N8 O2 S8 -","4","1","","Williams, Derek E.; Rietman, Joseph A.; Maier, Josef M.; Tan, Rui; Greytak, Andrew B.; Smith, Mark D.; Krause, Jeanette A.; Shustova, Natalia B.","Energy Transfer on Demand: Photoswitch-Directed Behavior of Metal-Porphyrin Frameworks.","Journal of the American Chemical Society","2014","136","34","11886","","10.1021/ja505589d","","","0.71073","MoKα","","0.0879","0.0511","","","0.1438","0.1628","","","","","","0.95","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122461","16.71","0.003","16.71","0.003","29.89","0.009","90","","90","","90","","8346","3","150","2","150","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- C48 H24 N6 O9 Zn3 -","- C48 H24 N6 O9 Zn3 -","- C96 H48 N12 O18 Zn6 -","2","0.125","","Williams, Derek E.; Rietman, Joseph A.; Maier, Josef M.; Tan, Rui; Greytak, Andrew B.; Smith, Mark D.; Krause, Jeanette A.; Shustova, Natalia B.","Energy Transfer on Demand: Photoswitch-Directed Behavior of Metal-Porphyrin Frameworks.","Journal of the American Chemical Society","2014","136","34","11886","","10.1021/ja505589d","","","1.0333","synchrotron","","0.1025","0.0536","","","0.1407","0.1579","","","","","","0.904","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122462","13.744","0.005","14.024","0.006","20.665","0.008","90","","90","","90","","3983","3","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H25.5 Cl2 N8.5 O14 Ru -","- C41 H25.5 Cl2 N8.5 O14 Ru -","- C164 H102 Cl8 N34 O56 Ru4 -","4","1","","Wendlandt, Alison E.; Stahl, Shannon S.","Modular o-Quinone Catalyst System for Dehydrogenation of Tetrahydroquinolines under Ambient Conditions.","Journal of the American Chemical Society","2014","136","34","11910","","10.1021/ja506546w","","","0.71073","MoKα","","0.0489","0.0383","","","0.088","0.0934","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122463","9.461","0.003","10.261","0.004","10.66","0.004","92.65","0.004","96.611","0.005","102.491","0.005","1000.9","0.6","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 N2 O12 Ru2 -","- C44 H36 N2 O12 Ru2 -","- C44 H36 N2 O12 Ru2 -","1","0.5","","Kosaka, Wataru; Yamagishi, Kayo; Zhang, Jun; Miyasaka, Hitoshi","Gate-Opening Gas Adsorption and Host-Guest Interacting Gas Trapping Behavior of Porous Coordination Polymers under Applied AC Electric Fields.","Journal of the American Chemical Society","2014","136","35","12304","12313","10.1021/ja504992g","","","0.7107","MoKα","","","0.0532","","","","0.1123","","","","","","1.092","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122464","8.8996","0.0008","12.883","0.0011","14.7781","0.0013","104.639","0.001","106.725","0.001","90.984","0.001","1562.6","0.2","168","2","168","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H30 Fe O3 P2 Pd S2 -","- C32 H30 Fe O3 P2 Pd S2 -","- C64 H60 Fe2 O6 P4 Pd2 S4 -","2","1","","Huynh, Mioy T.; Schilter, David; Hammes-Schiffer, Sharon; Rauchfuss, Thomas B.","Protonation of nickel-iron hydrogenase models proceeds after isomerization at nickel.","Journal of the American Chemical Society","2014","136","35","12385","12395","10.1021/ja505783z","","","0.71073","MoKα","","0.0381","0.0285","","","0.0643","0.0684","","","","","","1.027","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122465","11.4661","0.0008","20.6923","0.0014","34.72","0.002","90","","97.412","0.001","90","","8168.8","0.9","178","2","178","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C76 H88 B2 F8 Fe2 O9 P4 Pd2 S4 -","- C76 H88 B2 F8 Fe2 O9 P4 Pd2 S4 -","- C304 H352 B8 F32 Fe8 O36 P16 Pd8 S16 -","4","1","","Huynh, Mioy T.; Schilter, David; Hammes-Schiffer, Sharon; Rauchfuss, Thomas B.","Protonation of nickel-iron hydrogenase models proceeds after isomerization at nickel.","Journal of the American Chemical Society","2014","136","35","12385","12395","10.1021/ja505783z","","","0.71073","MoKα","","0.059","0.0369","","","0.0754","0.0838","","","","","","1.032","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122466","11.643","0.002","14.53","0.003","18.161","0.004","101.94","0.03","98.01","0.03","110.07","0.03","2748.4","1.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H44 Au Cl13 F6 N6 O6 S2 -","- C31 H44 Au Cl13 F6 N6 O6 S2 -","- C62 H88 Au2 Cl26 F12 N12 O12 S4 -","2","1","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0374","0.0314","","","0.0761","0.079","","","","","","1.04","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122467","18.626","0.004","22.161","0.004","18.053","0.004","90","","109.19","0.03","90","","7038","3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H60 Au3 Cl6 F3 N12 O3 S -","- C49 H60 Au3 Cl6 F3 N12 O3 S -","- C196 H240 Au12 Cl24 F12 N48 O12 S4 -","4","1","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0626","0.0515","","","0.1375","0.1469","","","","","","1.05","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4122468","6.957","0.0014","12.76","0.003","14.536","0.003","90","","90","","90","","1290.4","0.5","173","2","173","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C14 H20 Au Cl3 N4 -","- C11 H18 Au Cl3 N4 -","- C22 H36 Au2 Cl6 N8 -","2","0.125","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0519","0.0519","","","0.136","0.136","","","","","","1.23","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122469","10.876","0.002","14.998","0.003","15.432","0.003","85.31","0.03","83.96","0.03","71.84","0.03","2375.4","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H46 Au F9 N10 O9 S3 -","- C35 H46 Au F9 N10 O9 S3 -","- C70 H92 Au2 F18 N20 O18 S6 -","2","1","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0395","0.032","","","0.0735","0.0777","","","","","","1.044","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122470","10.684","0.002","12.227","0.002","16.079","0.003","70.76","0.03","77.74","0.03","66.98","0.03","1816.8","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H30 Au F9 N6 O9 S3 -","- C27 H30 Au F9 N6 O9 S3 -","- C54 H60 Au2 F18 N12 O18 S6 -","2","1","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0446","0.0324","","","0.0754","0.0828","","","","","","1.055","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122471","12.544","0.003","18.171","0.004","21.209","0.004","65.18","0.03","80.58","0.03","70.1","0.03","4125","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H56 Au2 F15 N16 O15 S5 -","- C57 H56 Au2 F15 N16 O15 S5 -","- C114 H112 Au4 F30 N32 O30 S10 -","2","1","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.051","0.0392","","","0.1062","0.1124","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122472","16.682","0.003","20.298","0.004","20.273","0.004","90","","106.09","0.03","90","","6596","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Au F6 N6 O6.5 S2 -","- C23 H28 Au F6 N6 O6.5 S2 -","- C184 H224 Au8 F48 N48 O52 S16 -","8","2","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0696","0.052","","","0.1233","0.1379","","","","","","1.142","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122473","8.5228","0.0017","13.81","0.003","15.57","0.003","108.65","0.03","91.73","0.03","91.36","0.03","1734.5","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H24 Au F9 N5 O9 S3 -","- C28 H24 Au F9 N5 O9 S3 -","- C56 H48 Au2 F18 N10 O18 S6 -","2","1","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0544","0.043","","","0.0973","0.1057","","","","","","1.039","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122474","8.8637","0.0018","9.888","0.002","12.962","0.003","78.51","0.03","80.16","0.03","79.86","0.03","1085","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H12 Au F6 N3 O7 S2 -","- C17 H12 Au F6 N3 O7 S2 -","- C34 H24 Au2 F12 N6 O14 S4 -","2","1","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0379","0.0325","","","0.0803","0.084","","","","","","1.027","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122475","18.657","0.004","10.618","0.002","6.9703","0.0015","90","","95.02","0.002","90","","1375.5","0.5","173","2","173.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C4 H12 P2 S2 -","- C4 H12 P2 S2 -","- C24 H72 P12 S12 -","6","0.75","","Chitnis, Saurabh S.; Whalen, J. Marc; Burford, Neil","Influence of charge and coordination number on bond dissociation energies, distances, and vibrational frequencies for the phosphorus-phosphorus bond.","Journal of the American Chemical Society","2014","136","35","12498","12506","10.1021/ja507413s","","x-ray","0.71073","MoKα","","0.0227","0.0206","","","0.0555","0.0573","","","","","","1.082","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122476","6.2924","0.0007","8.6702","0.001","12.9527","0.0015","105.432","0.002","90.451","0.002","105.118","0.001","655.33","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H6 Eu2 O17 -","- C5 H4 Eu2 O17 -","- C10 H8 Eu4 O34 -","2","1","","Tang, Qun; Liu, Yiwei; Liu, Shuxia; He, Danfeng; Miao, Jun; Wang, Xingquan; Yang, Guocheng; Shi, Zhan; Zheng, Zhiping","High Proton Conduction at above 100 °C Mediated by Hydrogen Bonding in a Lanthanide Metal-Organic Framework.","Journal of the American Chemical Society","2014","136","35","12444","12449","10.1021/ja5069855","","","0.71073","MoKα","","0.049","0.0372","","","0.0839","0.09","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122477","8.234","0.002","19.756","0.005","36.5075","0.001","90","","90","","90","","5939","2","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 F6 N P -","- C13 H18 F6 N P -","- C208 H288 F96 N16 P16 -","16","4","","Song, Guoyong; O, Wylie W N; Hou, Zhaomin","Enantioselective C-h bond addition of pyridines to alkenes catalyzed by chiral half-sandwich rare-Earth complexes.","Journal of the American Chemical Society","2014","136","35","12209","12212","10.1021/ja504995f","","","0.71073","MoKα","","0.1249","0.1121","","","0.3264","0.3467","","","","","","1.471","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122478","10.6448","0.0001","15.6854","0.0002","19.2083","0.0003","81.764","0.001","82.5","0.001","83.311","0.001","3131.27","0.07","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H58 B F20 Hf P -","- C70 H58 B F20 Hf P -","- C140 H116 B2 F40 Hf2 P2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0387","0.0352","","","0.0848","0.088","","","","","","1.062","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122479","15.6707","0.0003","16.586","0.0003","16.7336","0.0003","79.476","0.001","75.337","0.001","79.407","0.001","4093.36","0.13","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H56 B F20 P Si Zr -","- C64 H56 B F20 P Si Zr -","- C128 H112 B2 F40 P2 Si2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0987","0.0716","","","0.1792","0.1965","","","","","","1.057","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122480","16.0769","0.0001","18.9665","0.0002","19.7085","0.0002","90","","106.073","0.001","90","","5774.65","0.1","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H52 B F20 Hf P Si -","- C62 H52 B F20 Hf P Si -","- C248 H208 B4 F80 Hf4 P4 Si4 -","4","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0372","0.0316","","","0.0691","0.0733","","","","","","1.061","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122481","15.4699","0.0003","16.5362","0.0002","17.1816","0.0002","62.033","0.001","68.595","0.001","89.086","0.001","3549.27","0.1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H42 B F30 P Si Zr -","- C62 H42 B F30 P Si Zr -","- C124 H84 B2 F60 P2 Si2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.07","0.0583","","","0.1546","0.1624","","","","","","1.067","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122482","15.4954","0.0002","16.5161","0.0003","17.202","0.0003","62.092","0.001","68.712","0.001","89.188","0.001","3559.5","0.11","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H52 B F30 Hf P Si -","- C67 H52 B F30 Hf P Si -","- C134 H104 B2 F60 Hf2 P2 Si2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0488","0.0436","","","0.1104","0.1138","","","","","","1.057","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122483","11.5569","0.0001","21.2895","0.0004","29.9729","0.0004","98.752","0.001","93.267","0.001","103.887","0.001","7041.96","0.18","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C69.5 H66 B F20 N P Si Zr -","- C69.5 H66 B F20 N P Si Zr -","- C278 H264 B4 F80 N4 P4 Si4 Zr4 -","4","2","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0643","0.0508","","","0.133","0.1414","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122484","16.2626","0.0001","18.8643","0.0002","19.8286","0.0003","90","","105.342","0.001","90","","5866.29","0.12","223","2","223","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H52 B F20 O P Si Zr -","- C62 H52 B F20 O P Si Zr -","- C248 H208 B4 F80 O4 P4 Si4 Zr4 -","4","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0679","0.0533","","","0.1159","0.1277","","","","","","1.075","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122485","15.7896","0.0002","16.613","0.0002","16.9718","0.0003","66.066","0.001","80.618","0.001","79.197","0.001","3978.2","0.1","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C81 H80 B F20 O P Si Zr -","- C81 H80 B F20 O P Si Zr -","- C162 H160 B2 F40 O2 P2 Si2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0827","0.066","","","0.1629","0.1739","","","","","","1.047","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122486","15.788","0.0002","16.5313","0.0002","16.9244","0.0003","66.311","0.001","80.705","0.001","79.221","0.001","3955.28","0.1","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C72 H62 B Cl2 F20 Hf O P Si -","- C72 H62 B Cl2 F20 Hf O P Si -","- C144 H124 B2 Cl4 F40 Hf2 O2 P2 Si2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0426","0.0384","","","0.0964","0.0991","","","","","","1.051","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122487","12.0999","0.0002","17.267","0.0003","17.9375","0.0003","82.385","0.001","80.823","0.001","83.898","0.001","3653.15","0.11","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C68 H57 B F20 N O P Si Zr -","- C68 H57 B F20 N O P Si Zr -","- C136 H114 B2 F40 N2 O2 P2 Si2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.061","0.054","","","0.1501","0.1565","","","","","","1.056","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122488","12.6262","0.0001","15.4237","0.0002","19.7312","0.0004","103.725","0.001","97.999","0.001","111.023","0.001","3376.07","0.09","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C67 H62 B F20 O2 P S Si Zr -","- C67 H62 B F20 O2 P S Si Zr -","- C134 H124 B2 F40 O4 P2 S2 Si2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0642","0.0561","","","0.1455","0.1521","","","","","","1.037","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122489","12.6158","0.0001","15.4455","0.0002","19.6719","0.0002","103.71","0.001","98.041","0.001","111.153","0.001","3363.88","0.07","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C62 H52 B F20 Hf O2 P S Si -","- C62 H52 B F20 Hf O2 P S Si -","- C124 H104 B2 F40 Hf2 O4 P2 S2 Si2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0375","0.035","","","0.0939","0.0961","","","","","","1.038","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122490","12.2824","0.0002","17.4197","0.0003","18.0458","0.0004","81.278","0.001","81.595","0.001","84.991","0.002","3766.97","0.12","223","2","223","2","","","","","","","","10","P -1","-P 1","2","","","","- C78 H77 B F20 N O P S Si Zr -","- C78 H77 B F20 N O P S Si Zr -","- C156 H154 B2 F40 N2 O2 P2 S2 Si2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0598","0.0495","","","0.1125","0.1213","","","","","","1.068","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122491","12.6173","0.0002","17.7631","0.0003","18.1774","0.0002","88.657","0.001","78.536","0.001","87.268","0.001","3987.74","0.1","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C71 H66 B Cl3 F20 Ir P Si Zr -","- C71 H66 B Cl3 F20 Ir P Si Zr -","- C142 H132 B2 Cl6 F40 Ir2 P2 Si2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.05","0.0438","","","0.1102","0.1143","","","","","","1.057","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122492","11.732","0.0008","17.4804","0.0011","25.4536","0.0015","90","","96.9037","0.0014","90","","5182.2","0.6","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C72 H46 Cl4 -","- C72 H46 Cl4 -","- C288 H184 Cl16 -","4","1","","Tian, Yi; Uchida, Kazuyuki; Kurata, Hiroyuki; Hirao, Yasukazu; Nishiuchi, Tomohiko; Kubo, Takashi","Design and synthesis of new stable fluorenyl-based radicals.","Journal of the American Chemical Society","2014","136","36","12784","12793","10.1021/ja507005c","","","0.71075","MoKα","","0.1252","0.0656","","","0.174","0.2154","","","","","","1.011","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122493","14.719","0.002","13.335","0.002","13.137","0.002","90","","118.001","0.003","90","","2276.7","0.6","200","","200","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C35 H20 -","- C35 H21 -","- C140 H84 -","4","0.5","","Tian, Yi; Uchida, Kazuyuki; Kurata, Hiroyuki; Hirao, Yasukazu; Nishiuchi, Tomohiko; Kubo, Takashi","Design and synthesis of new stable fluorenyl-based radicals.","Journal of the American Chemical Society","2014","136","36","12784","12793","10.1021/ja507005c","","","0.71075","MoKα","","0.0752","0.0485","","","0.1112","0.1268","","","","","","1.046","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122494","9.5286","0.0009","17.5723","0.0018","19.0353","0.0017","90","","94.805","0.002","90","","3176.1","0.5","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H23 Cl6 -","- C37 H23 Cl6 -","- C148 H92 Cl24 -","4","1","","Tian, Yi; Uchida, Kazuyuki; Kurata, Hiroyuki; Hirao, Yasukazu; Nishiuchi, Tomohiko; Kubo, Takashi","Design and synthesis of new stable fluorenyl-based radicals.","Journal of the American Chemical Society","2014","136","36","12784","12793","10.1021/ja507005c","","","0.71075","MoKα","","0.1888","0.0825","","","0.2142","0.2635","","","","","","0.893","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122495","12.947","0.0004","12.7291","0.0003","28.2335","0.0006","90","","96.669","0.001","90","","4621.5","0.2","200","2","200","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C35 H21 -","- C35 H21 -","- C280 H168 -","8","2","","Tian, Yi; Uchida, Kazuyuki; Kurata, Hiroyuki; Hirao, Yasukazu; Nishiuchi, Tomohiko; Kubo, Takashi","Design and synthesis of new stable fluorenyl-based radicals.","Journal of the American Chemical Society","2014","136","36","12784","12793","10.1021/ja507005c","","","0.71075","MoKα","","0.0806","0.0513","","","0.1361","0.1592","","","","","","1.155","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122496","9.1206","0.0002","9.3526","0.0002","13.6329","0.001","79.823","0.006","85.785","0.006","81.629","0.006","1131.05","0.09","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 Cl3 N3 O3 Pd -","- C21 H22 Cl3 N3 O3 Pd -","- C42 H44 Cl6 N6 O6 Pd2 -","2","1","","Camasso, Nicole M.; Pérez-Temprano, Mónica H; Sanford, Melanie S.","C(sp³)-O bond-forming reductive elimination from Pd(IV) with diverse oxygen nucleophiles.","Journal of the American Chemical Society","2014","136","36","12771","12775","10.1021/ja507056u","","","1.54178","CuKα","","0.0385","0.0369","","","0.097","0.0993","","","","","","1.09","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122497","12.1221","0.0003","18.9912","0.0004","20.5152","0.0003","108.304","0.002","96.657","0.002","95.751","0.002","4406.7","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe3 H65 K10 O99 Si2 W18 -","- Fe3.027 K10.3 O95.9 Si2 W17.973 -","- Fe6.054 K20.6 O191.8 Si4 W35.946 -","2","1","","Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy","Controlling the minimal self assembly of ""complex"" polyoxometalate clusters.","Journal of the American Chemical Society","2014","136","36","12753","12761","10.1021/ja5067916","","","0.71073","MoKα","","0.0652","0.0457","","","0.0907","0.0994","","","","","","1.019","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122498","20.2088","0.0008","22.0401","0.0006","22.1265","0.0009","106.343","0.003","101.315","0.003","109.851","0.003","8417.5","0.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- Cl Fe3.5 H51.5 K5 Li6 O83.5 Si1.5 W15 -","- Cl Fe3.16665 K5.05 O85.5 Si1.5 W15 -","- Cl4 Fe12.6666 K20.2 O342 Si6 W60 -","4","2","","Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy","Controlling the minimal self assembly of ""complex"" polyoxometalate clusters.","Journal of the American Chemical Society","2014","136","36","12753","12761","10.1021/ja5067916","","","0.71073","MoKα","","0.0875","0.0469","","","0.0976","0.1167","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122499","11.2309","0.0003","21.0954","0.0006","17.965","0.0006","90","","105.02","0.003","90","","4110.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Fe3 H95 K8 O114 Si2 W18 -","- Fe3 K7.8 O87.6 Si2 W18 -","- Fe6 K15.6 O175.2 Si4 W36 -","2","0.5","","Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy","Controlling the minimal self assembly of ""complex"" polyoxometalate clusters.","Journal of the American Chemical Society","2014","136","36","12753","12761","10.1021/ja5067916","","","0.71073","MoKα","","0.067","0.047","","","0.102","0.113","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122500","33.7297","0.0004","23.7222","0.0003","23.5641","0.0005","90","","91.152","0.002","90","","18850.8","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Fe10 H90 K14 O183 Si4 W36 -","- Fe10 K14 O179.5 Si4 W36 -","- Fe40 K56 O718 Si16 W144 -","4","0.5","","Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy","Controlling the minimal self assembly of ""complex"" polyoxometalate clusters.","Journal of the American Chemical Society","2014","136","36","12753","12761","10.1021/ja5067916","","","0.71073","MoKα","","0.058","0.041","","","0.098","0.108","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122501","12.5311","0.0007","18.5287","0.0011","20.3263","0.0013","76.707","0.002","84.117","0.002","74.896","0.002","4429.8","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe3 H61 K10 O98 Si2 W18 -","- Fe3 K10 O98 Si2 W18 -","- Fe6 K20 O196 Si4 W36 -","2","1","","Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy","Controlling the minimal self assembly of ""complex"" polyoxometalate clusters.","Journal of the American Chemical Society","2014","136","36","12753","12761","10.1021/ja5067916","","","0.71073","MoKα","","0.024","0.021","","","0.049","0.05","","","","","","1.087","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122502","12.382","0.0005","19.411","0.0008","22.2451","0.0009","114.182","0.002","95.372","0.002","93.305","0.002","4828.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe11 H100 K13 O189 Si4 W36 -","- Fe11 K12.44 O187 Si4 W36 -","- Fe11 K12.44 O187 Si4 W36 -","1","0.5","","Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy","Controlling the minimal self assembly of ""complex"" polyoxometalate clusters.","Journal of the American Chemical Society","2014","136","36","12753","12761","10.1021/ja5067916","","","0.71073","MoKα","","0.0459","0.0328","","","0.0794","0.0855","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122503","12.6679","0.0002","18.3023","0.0004","19.2853","0.0004","77.37","0.002","89.658","0.002","72.081","0.002","4142.43","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe3 H54 K10 O95 Si2 W18 -","- Fe3.008 K10.5 O92.4 Si2 W17.992 -","- Fe6.016 K21 O184.8 Si4 W35.984 -","2","1","","Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy","Controlling the minimal self assembly of ""complex"" polyoxometalate clusters.","Journal of the American Chemical Society","2014","136","36","12753","12761","10.1021/ja5067916","","","0.71073","MoKα","","0.0399","0.0304","","","0.0632","0.0664","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122504","7.3107","0.0003","9.0733","0.0003","26.4224","0.001","90","","90","","90","","1752.66","0.11","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","ECC-9-020-1","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","","Cherney, Emily C.; Lopchuk, Justin M.; Green, Jason C.; Baran, Phil S.","A unified approach to ent-atisane diterpenes and related alkaloids: synthesis of (-)-methyl atisenoate, (-)-isoatisine, and the hetidine skeleton.","Journal of the American Chemical Society","2014","136","36","12592","12595","10.1021/ja507321j","","x-ray","1.54178","CuKα","K-L~3~","0.027","0.0263","","","0.0679","0.0687","","","","","","1.038","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4122505","11.6331","0.0003","14.2907","0.0004","29.0902","0.0008","90","","90","","90","","4836.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 N O5 P -","- C24 H42 N O5 P -","- C192 H336 N8 O40 P8 -","8","2","","Cherney, Emily C.; Lopchuk, Justin M.; Green, Jason C.; Baran, Phil S.","A unified approach to ent-atisane diterpenes and related alkaloids: synthesis of (-)-methyl atisenoate, (-)-isoatisine, and the hetidine skeleton.","Journal of the American Chemical Society","2014","136","36","12592","12595","10.1021/ja507321j","","","1.54178","CuKα","","0.0352","0.0319","","","0.0796","0.0813","","","","","","1.046","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122506","8.094","0.0003","12.9407","0.0004","16.7992","0.0006","90","","90","","90","","1759.58","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ECC-10-164-1","","","- C20 H30 Cl N O2 -","- C20 H30 Cl N O2 -","- C80 H120 Cl4 N4 O8 -","4","1","","Cherney, Emily C.; Lopchuk, Justin M.; Green, Jason C.; Baran, Phil S.","A unified approach to ent-atisane diterpenes and related alkaloids: synthesis of (-)-methyl atisenoate, (-)-isoatisine, and the hetidine skeleton.","Journal of the American Chemical Society","2014","136","36","12592","12595","10.1021/ja507321j","","","1.54178","CuKα","","0.0272","0.0268","","","0.0693","0.0695","","","","","","1.006","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122507","7.3343","0.0002","9.0194","0.0003","26.3328","0.0008","90","","90","","90","","1741.94","0.09","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O2 -","- C21 H32 O2 -","- C84 H128 O8 -","4","1","","Cherney, Emily C.; Lopchuk, Justin M.; Green, Jason C.; Baran, Phil S.","A unified approach to ent-atisane diterpenes and related alkaloids: synthesis of (-)-methyl atisenoate, (-)-isoatisine, and the hetidine skeleton.","Journal of the American Chemical Society","2014","136","36","12592","12595","10.1021/ja507321j","","x-ray","1.54178","CuKα","","0.0321","0.0318","","","0.0809","0.0812","","","","","","1.057","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122508","13.2491","0.0002","13.6484","0.0003","13.7598","0.0003","75.4215","0.0007","70.2656","0.0007","75.5401","0.0007","2229.27","0.08","123","2","123","2","","","","","","","","4","P -1","-P 1","2","Partially Constrained Triarylborane Pyridine Adduct","","","- C35 H20 B N -","- C35 H20 B N -","- C140 H80 B4 N4 -","4","2","","Matsuo, Kyohei; Saito, Shohei; Yamaguchi, Shigehiro","Photodissociation of B-N Lewis adducts: a partially fused trinaphthylborane with dual fluorescence.","Journal of the American Chemical Society","2014","136","36","12580","12583","10.1021/ja506980p","","","1.54187","CuKα","","0.0418","0.0373","","","0.0959","0.0987","","","","","","1.074","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122509","23.4202","0.001","3.8518","0.0002","23.7888","0.0012","90","","116.409","0.004","90","","1922.03","0.17","123","2","123","2","","","","","","","","4","P 1 2/a 1","-P 2ya","13","Partially Constrained Triarylborane Brominated Derivative","","","- C30 H13.44 B Br1.56 -","- C30 H13.436 B Br1.564 -","- C120 H53.744 B4 Br6.256 -","4","1","","Matsuo, Kyohei; Saito, Shohei; Yamaguchi, Shigehiro","Photodissociation of B-N Lewis adducts: a partially fused trinaphthylborane with dual fluorescence.","Journal of the American Chemical Society","2014","136","36","12580","12583","10.1021/ja506980p","","","1.54187","CuKα","","0.1076","0.0816","","","0.1889","0.2093","","","","","","1.091","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122510","11.005","","11.005","","21.5849","0.0002","90","","90","","120","","2263.92","0.02","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 La O7 -","- C12 H18 La O7 -","- C72 H108 La6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.033","0.0287","","","0.0562","0.0581","","","","","","1.081","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122511","10.9931","0.0001","10.9931","0.0001","21.518","0.0004","90","","90","","120","","2252.02","0.05","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 Ce O7 -","- C12 H18 Ce O7 -","- C72 H108 Ce6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0295","0.0267","","","0.0621","0.0632","","","","","","1.052","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122512","10.9771","0.0002","10.9771","0.0002","21.421","0.0007","90","","90","","120","","2235.35","0.09","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 O7 Pr -","- C12 H18 O7 Pr -","- C72 H108 O42 Pr6 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.02","0.0198","","","0.048","0.0481","","","","","","1.173","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122513","10.982","","10.982","","21.3443","0.0003","90","","90","","120","","2229.34","0.03","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 Nd O7 -","- C12 H18 Nd O7 -","- C72 H108 Nd6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0387","0.0317","","","0.0684","0.0717","","","","","","0.953","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122514","10.955","0","10.955","0","21.226","0.0003","90","","90","","120","","2206.09","0.03","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 O7 Sm -","- C12 H18 O7 Sm -","- C72 H108 O42 Sm6 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0324","0.0281","","","0.061","0.0625","","","","","","1.046","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122515","10.9566","0.0002","10.9566","0.0002","21.2225","0.0005","90","","90","","120","","2206.37","0.08","173","2","173","2","","","","","","","","4","P 61","P 61","169","","","","- C12 H18 O7 Sm -","- C12 H18 O7 Sm -","- C72 H108 O42 Sm6 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0338","0.0287","","","0.0588","0.0603","","","","","","1.075","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122516","10.942","0.0001","10.942","0.0001","21.1487","0.0005","90","","90","","120","","2192.84","0.06","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 Eu O7 -","- C12 H18 Eu O7 -","- C72 H108 Eu6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0227","0.0218","","","0.0528","0.053","","","","","","1.019","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122517","10.9392","0.0001","10.9392","0.0001","21.0904","0.0004","90","","90","","120","","2185.68","0.05","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 Gd O7 -","- C12 H18 Gd O7 -","- C72 H108 Gd6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0221","0.0204","","","0.0451","0.0457","","","","","","1.085","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122518","10.9244","0.0002","10.9244","0.0002","21.0072","0.0007","90","","90","","120","","2171.17","0.09","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 O7 Tb -","- C12 H18 O7 Tb -","- C72 H108 O42 Tb6 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.056","0.0507","","","0.1262","0.1285","","","","","","1.077","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122519","10.908","0","10.908","0","20.9429","0.0003","90","","90","","120","","2158.03","0.03","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 Dy O7 -","- C12 H18 Dy O7 -","- C72 H108 Dy6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0251","0.024","","","0.0542","0.0546","","","","","","1.136","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122520","8.2383","0.0003","10.9075","0.0005","14.7942","0.0006","90","","90","","90","","1329.4","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Tb -","- C11 H15 O6 Tb -","- C44 H60 O24 Tb4 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0375","0.0327","","","0.0696","0.0718","","","","","","1.057","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122521","8.1926","0.0001","10.8934","0.0001","14.7834","0.0001","90","","90","","90","","1319.35","0.02","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Dy O6 -","- C11 H15 Dy O6 -","- C44 H60 Dy4 O24 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0253","0.0237","","","0.0564","0.0571","","","","","","1.08","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122522","8.1608","0.0001","10.9191","0.0001","14.7591","0.0002","90","","90","","90","","1315.16","0.03","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Ho O6 -","- C11 H15 Ho O6 -","- C44 H60 Ho4 O24 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0318","0.0276","","","0.0629","0.0645","","","","","","1.05","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122523","8.1229","0.0003","10.9348","0.0004","14.7351","0.0008","90","","90","","90","","1308.81","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Er O6 -","- C11 H15 Er O6 -","- C44 H60 Er4 O24 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.038","0.0322","","","0.0758","0.0786","","","","","","0.998","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122524","8.1002","0.0001","10.9327","0.0001","14.721","0.0001","90","","90","","90","","1303.65","0.02","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Tm -","- C11 H15 O6 Tm -","- C44 H60 O24 Tm4 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0469","0.0356","","","0.076","0.0805","","","","","","1.035","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122525","8.0669","0.0002","10.9191","0.0003","14.7177","0.0004","90","","90","","90","","1296.38","0.06","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Yb -","- C11 H15 O6 Yb -","- C44 H60 O24 Yb4 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0376","0.0301","","","0.0613","0.0643","","","","","","1.083","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122526","8.0349","0.0003","10.9499","0.0004","14.6841","0.0005","90","","90","","90","","1291.93","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Lu O6 -","- C11 H15 Lu O6 -","- C44 H60 Lu4 O24 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0458","0.0351","","","0.0913","0.1093","","","","","","1.094","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122527","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Y -","- C11 H15 O6 Y -","- C44 H60 O24 Y4 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0794","0.0553","","","0.1201","0.1325","","","","","","1.029","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122528","10.9487","0.0002","10.9487","0.0002","21.411","0.0007","90","","90","","120","","2222.76","0.09","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- C12 H19 La0.259 O7 Pr0.741 -","- C12 H17 La0.259 O7 Pr0.741 -","- C72 H102 La1.554 O42 Pr4.446 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0578","0.0489","","","0.1097","0.1145","","","","","","1.08","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122529","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Gd0.329 O6 Y0.671 -","- C11 H15 Gd0.329 O6 Y0.671 -","- C44 H60 Gd1.316 O24 Y2.684 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0678","0.0497","","","0.1365","0.1438","","","","","","1.061","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122530","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Tb0.484 Y0.516 -","- C11 H15 O6 Tb0.484 Y0.516 -","- C44 H60 O24 Tb1.936 Y2.064 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.063","0.0417","","","0.1041","0.1131","","","","","","1.043","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122531","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Dy0.495 O6 Y0.505 -","- C11 H15 Dy0.495 O6 Y0.505 -","- C44 H60 Dy1.98 O24 Y2.02 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0673","0.044","","","0.1076","0.1167","","","","","","1.054","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122532","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Ho0.558 O6 Y0.442 -","- C11 H15 Ho0.558 O6 Y0.442 -","- C44 H60 Ho2.232 O24 Y1.768 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0758","0.057","","","0.1351","0.1465","","","","","","1.066","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122533","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Er0.566 O6 Y0.434 -","- C11 H15 Er0.566 O6 Y0.434 -","- C44 H60 Er2.264 O24 Y1.736 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0621","0.0408","","","0.1006","0.1091","","","","","","1.021","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122534","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Y0.392 Yb0.608 -","- C11 H15 O6 Y0.392 Yb0.608 -","- C44 H60 O24 Y1.568 Yb2.432 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0536","0.0406","","","0.0999","0.1052","","","","","","1.061","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122535","7.9426","0.0008","13.8624","0.0019","22.203","0.003","90","","90","","90","","2444.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Br N O4 -","- C12 H12 Br N O4 -","- C96 H96 Br8 N8 O32 -","8","2","","Buyck, Thomas; Wang, Qian; Zhu, Jieping","Triple Role of Phenylselenonyl Group Enabled a One-Pot Synthesis of 1,3-Oxazinan-2-ones From α-Isocyanoacetates, Phenyl Vinyl Selenones, and Water.","Journal of the American Chemical Society","2014","136","32","11524","11528","10.1021/ja506031h","","","0.71073","MoKα","","0.0374","0.0278","","","0.0473","0.0505","","","","","","1.105","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122536","9.3027","0.0004","19.5605","0.0008","13.5408","0.0006","90","","94.688","0.002","90","","2455.71","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 N2 Ru -","- C29 H34 N2 Ru -","- C116 H136 N8 Ru4 -","4","1","","Liu, Hsueh-Ju; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf.","Journal of the American Chemical Society","2014","136","32","11473","11482","10.1021/ja5054237","","","0.71073","MoKα","","0.0695","0.0455","","","0.0991","0.1096","","","","","","1.037","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122537","11.324","0.005","30.125","0.005","13.405","0.005","90","0.005","105.564","0.005","90","0.005","4405","3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","hj4187","","","- C45 H60 Ag F3 N2 O3 Ru S Si -","- C45 H60 Ag F3 N2 O3 Ru S Si -","- C180 H240 Ag4 F12 N8 O12 Ru4 S4 Si4 -","4","1","","Liu, Hsueh-Ju; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf.","Journal of the American Chemical Society","2014","136","32","11473","11482","10.1021/ja5054237","","","0.71073","MoKα","","0.0519","0.0348","","","0.073","0.0824","","","","","","1.047","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122538","21.079","0.008","8.837","0.003","20.204","0.008","90","","94.557","0.006","90","","3752","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H49 N2 Ru Si -","- C43 H49 N2 Ru Si -","- C172 H196 N8 Ru4 Si4 -","4","1","","Liu, Hsueh-Ju; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf.","Journal of the American Chemical Society","2014","136","32","11473","11482","10.1021/ja5054237","","","0.71073","MoKα","","0.2334","0.092","","","0.146","0.1942","","","","","","0.923","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122539","46.2094","0.0015","12.0283","0.0004","19.2661","0.0006","90","","109.314","0.002","90","","10105.8","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","hj4057","","","- C54.5 H67 Br N2 O Ru Si -","- C54.5 H67 Br N2 O Ru Si -","- C436 H536 Br8 N16 O8 Ru8 Si8 -","8","1","","Liu, Hsueh-Ju; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf.","Journal of the American Chemical Society","2014","136","32","11473","11482","10.1021/ja5054237","","","0.71073","MoKα","","0.0658","0.0394","","","0.0849","0.0963","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122540","10.2942","0.0006","31.8285","0.0017","12.239","0.0007","90","","105.762","0.002","90","","3859.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hj4032","","","- C44 H60 N2 Ru Si -","- C44 H60 N2 Ru Si -","- C176 H240 N8 Ru4 Si4 -","4","1","","Liu, Hsueh-Ju; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf.","Journal of the American Chemical Society","2014","136","32","11473","11482","10.1021/ja5054237","","","0.71073","MoKα","","0.0375","0.0344","","","0.0848","0.0865","","","","","","1.079","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122541","8.6531","0.0007","21.9806","0.0017","13.3874","0.001","90","","90.939","0.001","90","","2545.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 N4 Ru -","- C29 H34 N4 Ru -","- C116 H136 N16 Ru4 -","4","1","","Liu, Hsueh-Ju; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf.","Journal of the American Chemical Society","2014","136","32","11473","11482","10.1021/ja5054237","","","0.71073","MoKα","","0.0593","0.0429","","","0.0851","0.094","","","","","","1.115","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122542","8.8302","0.0005","11.981","0.0007","15.2909","0.0008","79.908","0.005","81.84","0.005","83.374","0.005","1569.73","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 Cl8 O6 Si2 -","- C23 H24 Cl8 O6 Si2 -","- C46 H48 Cl16 O12 Si4 -","2","1","","Guo, Xingwei; Mayr, Herbert","Quantification of the ambident electrophilicities of halogen-substituted quinones.","Journal of the American Chemical Society","2014","136","32","11499","11512","10.1021/ja505613b","","","0.71073","MoKα","","0.0505","0.036","","","0.0784","0.0875","","","","","","1.04","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122543","12.0384","0.0007","6.1634","0.0004","16.5271","0.0009","90","","101.491","0.002","90","","1201.69","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Cl4 O4 -","- C10 H6 Cl4 O4 -","- C40 H24 Cl16 O16 -","4","1","","Guo, Xingwei; Mayr, Herbert","Quantification of the ambident electrophilicities of halogen-substituted quinones.","Journal of the American Chemical Society","2014","136","32","11499","11512","10.1021/ja505613b","","","0.71073","MoKα","","0.0716","0.0524","","","0.0962","0.102","","","","","","1.136","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122544","19.262","0.004","19.262","0.004","27.055","0.006","90","","90","","120","","8693","3","298","2","298","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C19 H17 N -","- C19 H15 N -","- C456 H360 N24 -","24","1.33333","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1904","0.1005","","","0.2498","0.2995","","","","","","1.021","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122545","8.0914","0.0016","10.928","0.002","13.83","0.003","107.341","0.003","104.389","0.003","102.082","0.003","1076.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 N O2 S -","- C26 H23 N O2 S -","- C52 H46 N2 O4 S2 -","2","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1786","0.0834","","","0.1367","0.1637","","","","","","1.006","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122546","11.028","0.002","11.747","0.002","12.63","0.003","90","","101.991","0.003","90","","1600.5","0.6","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1455","0.0965","","","0.1863","0.2064","","","","","","1.192","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122547","9.45","0.004","13.149","0.005","16.973","0.007","90","","90","","90","","2109","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O4 S2 -","- C22 H23 N O4 S2 -","- C88 H92 N4 O16 S8 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0949","0.0618","","","0.1223","0.1361","","","","","","1.059","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122548","11.018","0.006","6.443","0.003","21.477","0.011","90","","101.939","0.007","90","","1491.7","1.3","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1146","0.0634","","","0.1349","0.1545","","","","","","1.014","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122549","8.736","0.003","10.298","0.004","16.885","0.006","90","","94.663","0.005","90","","1514","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O2 S -","- C16 H19 N O2 S -","- C64 H76 N4 O8 S4 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0948","0.0554","","","0.1389","0.1622","","","","","","1.012","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122550","9.086","0.004","9.68","0.005","10.479","0.005","101.788","0.007","107.192","0.007","115.555","0.007","733.1","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C32 H34 N2 O4 S2 -","2","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1839","0.0896","","","0.1737","0.2112","","","","","","1.062","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122551","10.788","0.006","11.06","0.006","22.393","0.013","90","","91.434","0.008","90","","2671","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 N O2 S -","- C12 H19 N O2 S -","- C96 H152 N8 O16 S8 -","8","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.114","0.0855","","","0.2461","0.2807","","","","","","1.095","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122552","9.171","0.005","9.554","0.005","9.772","0.005","95.532","0.007","111.206","0.007","118.152","0.007","665.6","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 N O2 S -","- C14 H15 N O2 S -","- C28 H30 N2 O4 S2 -","2","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1549","0.0832","","","0.172","0.2019","","","","","","1.052","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122553","34.23","0.03","15.81","0.013","6.133","0.005","90","","90","","90","","3319","5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H18 N2 O4 S2 -","- C15 H18 N2 O4 S2 -","- C120 H144 N16 O32 S16 -","8","2","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1159","0.0716","","","0.1285","0.144","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122554","15.334","0.007","7.84","0.004","11.787","0.005","90","","93.34","0.006","90","","1414.6","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C60 H60 N4 O8 S4 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1237","0.0734","","","0.1675","0.1941","","","","","","1.063","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122555","17.221","0.005","8.952","0.003","17.795","0.005","90","","108.727","0.004","90","","2598.1","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C104 H136 N8 O16 S8 -","8","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0914","0.0627","","","0.1729","0.1921","","","","","","1.066","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122556","15.351","0.003","8.6398","0.0019","17.5","0.004","90","","115.598","0.003","90","","2093.2","0.8","140","2","140","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 N -","- C14 H13 N -","- C112 H104 N8 -","8","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0914","0.0652","","","0.169","0.1891","","","","","","1.054","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122557","18.983","0.007","8.172","0.003","19.434","0.007","90","","90","","90","","3014.8","1.9","140","2","140","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H17 N O2 S -","- C17 H17 N O2 S -","- C136 H136 N8 O16 S8 -","8","2","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0804","0.055","","","0.1049","0.1165","","","","","","1.056","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122558","11.181","0.007","5.799","0.004","17.588","0.011","90","","96.723","0.011","90","","1132.5","1.3","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H28 N2 O3 S -","- C25 H28 N2 O3 S -","- C50 H56 N4 O6 S2 -","2","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1438","0.0913","","","0.2026","0.2371","","","","","","1.019","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122559","9.422","0.005","6.079","0.003","15.628","0.008","90","","101.009","0.006","90","","878.6","0.8","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C42 H38 N2 O4 S2 -","2","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0555","0.047","","","0.102","0.1074","","","","","","1.042","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122560","20.834","0.008","6.982","0.003","19.561","0.008","90","","95.085","0.006","90","","2834","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F2 N O2 S -","- C14 H11 F2 N O2 S -","- C112 H88 F16 N8 O16 S8 -","8","2","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.2926","0.1026","","","0.173","0.2356","","","","","","0.946","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122561","6.4489","0.001","17.846","0.003","11.2973","0.0017","90","","94.265","0.002","90","","1296.6","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C52 H68 N4 O8 S4 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.112","0.0751","","","0.1825","0.2064","","","","","","1.028","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122562","7.0804","0.0013","12.724","0.002","15.486","0.003","90","","90","","90","","1395.1","0.4","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Cl N O2 S -","- C15 H14 Cl N O2 S -","- C60 H56 Cl4 N4 O8 S4 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0618","0.0473","","","0.0999","0.1073","","","","","","1.084","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122563","12.015","0.004","7.631","0.003","31.475","0.011","90","","90","","90","","2885.8","1.8","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C128 H136 N8 O16 S8 -","8","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1225","0.0931","","","0.1935","0.204","","","","","","1.182","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122564","19.954","0.003","10.0945","0.0013","20.439","0.003","90","","118.375","0.002","90","","3622.3","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C168 H152 N8 O16 S8 -","8","2","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0868","0.0523","","","0.1301","0.1513","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122565","7.577","0.0016","10.156","0.002","11.053","0.002","109.494","0.002","109.76","0.002","94.602","0.003","736.5","0.3","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 N O2 S -","- C15 H20 N O2 S -","- C30 H40 N2 O4 S2 -","2","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0484","0.0443","","","0.1214","0.125","","","","","","1.056","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122566","8.3545","0.0006","6.0819","0.0004","13.8786","0.001","90","","106.364","0.003","90","","676.62","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","1","","Meng, Fanke; Haeffner, Fredrik; Hoveyda, Amir H.","Diastereo- and Enantioselective Reactions of Bis(pinacolato)diboron, 1,3-Enynes, and Aldehydes Catalyzed by an Easily Accessible Bisphosphine-Cu Complex.","Journal of the American Chemical Society","2014","136","32","11304","11307","10.1021/ja5071202","","","1.54178","CuKα","","0.0285","0.0283","","","0.073","0.0731","","","","","","1.046","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122567","10.1568","0.001","6.1364","0.0006","12.3308","0.0012","90","","110.03","0.002","90","","722.05","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C36 H36 O4 -","2","1","","Meng, Fanke; Haeffner, Fredrik; Hoveyda, Amir H.","Diastereo- and Enantioselective Reactions of Bis(pinacolato)diboron, 1,3-Enynes, and Aldehydes Catalyzed by an Easily Accessible Bisphosphine-Cu Complex.","Journal of the American Chemical Society","2014","136","32","11304","11307","10.1021/ja5071202","","","1.54178","CuKα","","0.0258","0.0257","","","0.065","0.0652","","","","","","1.066","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122568","6.3977","0.0018","8.18","0.002","31.776","0.009","90","","90","","90","","1662.9","0.8","177","2","177","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O S -","- C21 H18 O S -","- C84 H72 O4 S4 -","4","1","","Denmark, Scott E.; Rossi, Sergio; Webster, Matthew P.; Wang, Hao","Catalytic, enantioselective sulfenylation of ketone-derived enoxysilanes.","Journal of the American Chemical Society","2014","136","37","13016","13028","10.1021/ja506133z","","","0.71073","MoKα","","0.0431","0.0327","","","0.0705","0.0753","","","","","","1.047","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122569","7.9385","0.0002","10.9763","0.0003","11.4409","0.0003","97.371","0.002","99.927","0.002","100.842","0.002","951.05","0.04","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Au Br P -","- C21 H17 Au Br P -","- C42 H34 Au2 Br2 P2 -","2","1","","Johnson, Alice; Laguna, Antonio; Gimeno, M Concepción","Axially chiral allenyl gold complexes.","Journal of the American Chemical Society","2014","136","37","12812","12815","10.1021/ja5055675","","","0.71073","MoKα","","0.0204","0.0199","","","0.0518","0.0521","","","","","","1.076","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4122570","7.9063","0.0016","14.649","0.003","17","0.003","64.53","0.03","82.11","0.03","83.47","0.03","1757.4","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H32 Au F3 O3 P2 S -","- C40 H32 Au F3 O3 P2 S -","- C80 H64 Au2 F6 O6 P4 S2 -","2","1","","Johnson, Alice; Laguna, Antonio; Gimeno, M Concepción","Axially chiral allenyl gold complexes.","Journal of the American Chemical Society","2014","136","37","12812","12815","10.1021/ja5055675","","","0.71073","MoKα","","0.1073","0.08","","","0.1636","0.1821","","","","","","1.042","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4122571","10.544","0.0001","14.6999","0.0002","14.862","0.0002","90","","93.203","0.001","90","","2299.95","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H17 Au F5 P -","- C27 H17 Au F5 P -","- C108 H68 Au4 F20 P4 -","4","1","","Johnson, Alice; Laguna, Antonio; Gimeno, M Concepción","Axially chiral allenyl gold complexes.","Journal of the American Chemical Society","2014","136","37","12812","12815","10.1021/ja5055675","","","0.71073","MoKα","","0.0166","0.0153","","","0.0352","0.0357","","","","","","1.111","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4122572","27.8653","0.0007","10.5925","0.0002","24.5903","0.0008","90","","106.431","0.003","90","","6961.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H17 Au F15 P -","- C39 H17 Au F15 P -","- C312 H136 Au8 F120 P8 -","8","2","","Johnson, Alice; Laguna, Antonio; Gimeno, M Concepción","Axially chiral allenyl gold complexes.","Journal of the American Chemical Society","2014","136","37","12812","12815","10.1021/ja5055675","","","0.71073","MoKα","","0.0572","0.0433","","","0.0952","0.1021","","","","","","1.067","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4122573","11.505","0.002","19.578","0.004","17.558","0.004","90","","90.019","0.005","90","","3954.8","1.4","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H58 Ru2 Si2 Sn -","- C42 H58 Ru2 Si2 Sn -","- C168 H232 Ru8 Si8 Sn4 -","4","1","","Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Sasamori, Takahiro; Tokitoh, Norihiro; Saito, Masaichi","Synthesis, structures, and electronic properties of triple- and double-decker ruthenocenes incorporated by a group 14 metallole dianion ligand.","Journal of the American Chemical Society","2014","136","37","13059","13064","10.1021/ja507330p","","","0.71073","MoKα","","0.0765","0.056","","","0.1011","0.1086","","","","","","1.107","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122574","10.7817","0.001","17.318","0.0016","24.015","0.002","90","","100.853","0.002","90","","4403.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H70 Ru2 Si2 Sn -","- C48 H70 Ru2 Si2 Sn -","- C192 H280 Ru8 Si8 Sn4 -","4","1","","Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Sasamori, Takahiro; Tokitoh, Norihiro; Saito, Masaichi","Synthesis, structures, and electronic properties of triple- and double-decker ruthenocenes incorporated by a group 14 metallole dianion ligand.","Journal of the American Chemical Society","2014","136","37","13059","13064","10.1021/ja507330p","","","0.71073","MoKα","","0.0734","0.0463","","","0.0922","0.1079","","","","","","1.009","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122575","12.7833","0.0015","14.3558","0.0017","15.1393","0.0018","97.677","0.003","96.928","0.002","93.321","0.003","2725.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H87 Li O4 Ru Si2 Sn -","- C54 H87 Li O4 Ru Si2 Sn -","- C108 H174 Li2 O8 Ru2 Si4 Sn2 -","2","1","","Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Sasamori, Takahiro; Tokitoh, Norihiro; Saito, Masaichi","Synthesis, structures, and electronic properties of triple- and double-decker ruthenocenes incorporated by a group 14 metallole dianion ligand.","Journal of the American Chemical Society","2014","136","37","13059","13064","10.1021/ja507330p","","","0.71073","MoKα","","0.0702","0.0496","","","0.099","0.109","","","","","","1.015","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122576","13.0864","0.0001","19.3897","0.0002","14.4296","0.0001","90","","96.126","0.001","90","","3640.48","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 F6 Mn N6 O8 S2 -","- C31 H31 F6 Mn N6 O8 S2 -","- C124 H124 F24 Mn4 N24 O32 S8 -","4","1","","Yu, Meng; Ambrose, Stephen L.; Whaley, Zachary L.; Fan, Sanjun; Gorden, John D.; Beyers, Ronald J.; Schwartz, Dean D.; Goldsmith, Christian R.","A mononuclear manganese(II) complex demonstrates a strategy to simultaneously image and treat oxidative stress.","Journal of the American Chemical Society","2014","136","37","12836","12839","10.1021/ja507034d","","","1.54178","CuKα","","0.1232","0.1098","","","0.303","0.3183","","","","","","1.064","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122577","16.6834","0.0013","11.028","0.0008","11.9668","0.0009","90","","99.219","0.007","90","","2173.3","0.3","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H26 Fe2 O4 P2 S2 -","- C14 H26 Fe2 O4 P2 S2 -","- C56 H104 Fe8 O16 P8 S8 -","4","0.5","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0979","0.0897","","","0.2961","0.3005","","","","","","1.266","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122578","16.784","0.0007","11.0945","0.0005","12.5523","0.0008","90","","104.937","0.007","90","","2258.4","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H30 Fe2 O4 P2 S2 -","- C16 H30 Fe2 O4 P2 S2 -","- C64 H120 Fe8 O16 P8 S8 -","4","0.5","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0614","0.0362","","","0.0712","0.0748","","","","","","1.051","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122579","12.09","0.002","13.027","0.002","16.282","0.003","90","","90","","90","","2564.4","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 Fe2 O4 P2 S2 -","- C19 H36 Fe2 O4 P2 S2 -","- C76 H144 Fe8 O16 P8 S8 -","4","1","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.027","0.0258","","","0.0532","0.0538","","","","","","1.056","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122580","20.79","0.02","8.4769","0.001","13.848","0.016","90","","106.854","0.019","90","","2336","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H23 F6 Fe2 O5 P3 S2 -","- C12 H23 F6 Fe2 O5 P3 S2 -","- C48 H92 F24 Fe8 O20 P12 S8 -","4","0.5","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0918","0.0618","","","0.1342","0.1518","","","","","","0.983","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122581","19.5329","0.0003","10.2433","0.0002","13.0247","0.0002","90","","106.752","0.002","90","","2495.4","0.08","140","2","140","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H27 F6 Fe2 O4 P3 S2 -","- C14 H27 F6 Fe2 O4 P3 S2 -","- C56 H108 F24 Fe8 O16 P12 S8 -","4","0.5","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0242","0.0223","","","0.0535","0.0542","","","","","","1.137","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122582","18.7466","0.0009","11.1267","0.0005","25.7195","0.0018","90","","99.892","0.007","90","","5285","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H31 F6 Fe2 O4 P3 S2 -","- C16 H31 F6 Fe2 O4 P3 S2 -","- C128 H248 F48 Fe16 O32 P24 S16 -","8","1","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0928","0.0473","","","0.0904","0.1004","","","","","","0.917","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122583","19.689","0.018","10.202","0.008","12.987","0.012","90","","104.65","0.02","90","","2524","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H29 F6 Fe2 O4 P3 S2 -","- C15 H29 F6 Fe2 O4 P3 S2 -","- C60 H116 F24 Fe8 O16 P12 S8 -","4","0.5","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0341","0.0313","","","0.0622","0.0635","","","","","","1.077","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122584","8.778","0.0003","9.8893","0.0005","16.9341","0.0006","90","","90","","90","","1470.02","0.1","140","2","140","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H8 Fe2 O6 S2 -","- C10 H8 Fe2 O6 S2 -","- C40 H32 Fe8 O24 S8 -","4","0.5","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0583","0.0432","","","0.0859","0.0904","","","","","","1.113","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122585","9.1168","0.0001","9.6581","0.0001","9.8273","0.0001","74.585","0.003","75.109","0.003","89.144","0.004","804.84","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Fe2 O6 S2 -","- C12 H12 Fe2 O6 S2 -","- C24 H24 Fe4 O12 S4 -","2","1","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0213","0.0208","","","0.058","0.0583","","","","","","1.138","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122586","7.792","0.002","11.571","0.003","11.826","0.002","116.222","0.013","101.17","0.017","95.179","0.018","919.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 Fe2 O6 S2 -","- C15 H18 Fe2 O6 S2 -","- C30 H36 Fe4 O12 S4 -","2","1","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0276","0.0246","","","0.0552","0.0564","","","","","","1.077","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122587","8.4937","0.0005","9.4901","0.0005","11.7656","0.0006","101.03","0.004","104.003","0.005","113.074","0.005","801.9","0.09","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H13 Fe2 O5 P S2 -","- C10 H13 Fe2 O5 P S2 -","- C20 H26 Fe4 O10 P2 S4 -","2","1","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0905","0.0567","","","0.0856","0.0935","","","","","","1.022","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122588","7.4894","0.0006","9.0289","0.0008","14.741","0.0013","88.6","0.006","78.742","0.006","83.721","0.006","971.75","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H21 Fe2 O5 P S2 -","- C14 H21 Fe2 O5 P S2 -","- C28 H42 Fe4 O10 P2 S4 -","2","1","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.032","0.0267","","","0.0605","0.0621","","","","","","1.052","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122589","12.6554","0.0004","7.6882","0.0002","26.4703","0.0018","90","","97.944","0.007","90","","2550.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 F6 Fe2 O4 P3 S2 -","- C16 H23 F6 Fe2 O4 P3 S2 -","- C64 H92 F24 Fe8 O16 P12 S8 -","4","1","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0408","0.0291","","","0.0632","0.0674","","","","","","1.039","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122590","8.1039","0.0003","19.8611","0.0006","14.8094","0.0005","90","","119.708","0.002","90","","2070.31","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 Cl3 O2 -","- C27 H15 Cl3 O2 -","- C108 H60 Cl12 O8 -","4","1","","Schweinfurth, David; Zalibera, Michal; Kathan, Michael; Shen, Chengshuo; Mazzolini, Marcella; Trapp, Nils; Crassous, Jeanne; Gescheidt, Georg; Diederich, François","Helicene quinones: redox-triggered chiroptical switching and chiral recognition of the semiquinone radical anion lithium salt by electron nuclear double resonance spectroscopy.","Journal of the American Chemical Society","2014","136","37","13045","13052","10.1021/ja5069323","","x-ray","0.71073","MoKα","","0.0442","0.0364","","","0.0921","0.0982","","","","","","1.041","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122591","9.8979","0.0012","16.1975","0.0017","21.268","0.002","90","","90","","90","","3409.7","0.6","100","","100.01","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H16 O2 -","- C26 H16 O2 -","- C208 H128 O16 -","8","1","","Schweinfurth, David; Zalibera, Michal; Kathan, Michael; Shen, Chengshuo; Mazzolini, Marcella; Trapp, Nils; Crassous, Jeanne; Gescheidt, Georg; Diederich, François","Helicene quinones: redox-triggered chiroptical switching and chiral recognition of the semiquinone radical anion lithium salt by electron nuclear double resonance spectroscopy.","Journal of the American Chemical Society","2014","136","37","13045","13052","10.1021/ja5069323","","x-ray","1.54178","CuKα","","0.0938","0.085","","","0.2329","0.2393","","","","","","1.068","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122592","12.0612","0.0016","14.318","0.002","18.484","0.002","101.875","0.003","97.825","0.002","111.173","0.003","2834.3","0.6","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","spiro[2,2,5,5-tetra-tert-butyl-3,3,4,4-tetramethyl-bicyclo[4.1.0]heptasil-1(6)- ene-7,1'-2,2,5,5-tetra-tert-butyl-3,3,4,4-tetramethylcyclopentasilane]","","- C40 H96 Si11 -","- C40 H96 Si11 -","- C80 H192 Si22 -","2","1","","Tsurusaki, Akihiro; Kamiyama, Jun; Kyushin, Soichiro","Tetrasilane-bridged bicyclo[4.1.0]heptasil-1(6)-ene.","Journal of the American Chemical Society","2014","136","37","12896","12898","10.1021/ja507279z","","","0.7107","MoKα","","0.0488","0.0443","","","0.1176","0.1355","","","","","","1.137","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122593","9.1903","0.0005","21.5113","0.0011","16.6086","0.001","90","","96.652","0.0008","90","","3261.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1,4,4-Tetra-tert-butyl-2,2,3,3-tetrachloro-5,5,6,6-tetramethylcyclohexasilane","","- C20 H48 Cl4 Si6 -","- C20 H48 Cl4 Si6 -","- C80 H192 Cl16 Si24 -","4","1","","Tsurusaki, Akihiro; Kamiyama, Jun; Kyushin, Soichiro","Tetrasilane-bridged bicyclo[4.1.0]heptasil-1(6)-ene.","Journal of the American Chemical Society","2014","136","37","12896","12898","10.1021/ja507279z","","","0.7107","MoKα","","0.0444","0.0425","","","0.0813","0.0826","","","","","","1.28","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122594","35.324","0.017","35.324","0.017","35.324","0.017","90","","90","","90","","44077","4","100","2","100","","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C18 H6 O41.85 S2.4 Zr6 -","- C18 H6 O41.85 S2.4 Zr6 -","- C288 H96 O669.6 S38.4 Zr96 -","16","","","Jiang, Juncong; Gándara, Felipe; Zhang, Yue-Biao; Na, Kyungsu; Yaghi, Omar M.; Klemperer, Walter G.","Superacidity in sulfated metal-organic framework-808.","Journal of the American Chemical Society","2014","136","37","12844","12847","10.1021/ja507119n","","","0.7749","","","0.0763","0.0512","","","0.1501","0.1662","","","","","","1.092","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122595","5.2357","0.0006","45.397","0.005","11.9994","0.0013","90","","94.399","0.006","90","","2843.7","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H31 N O7 -","- C34 H31 N O7 -","- C136 H124 N4 O28 -","4","2","","Wasa, Masayuki; Liu, Richard Y.; Roche, Stéphane P; Jacobsen, Eric N.","Asymmetric Mannich synthesis of α-amino esters by anion-binding catalysis.","Journal of the American Chemical Society","2014","136","37","12872","12875","10.1021/ja5075163","","","1.54178","CuKα","","0.0328","0.0317","","","0.0763","0.0772","","","","","","1.045","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122596","13.9089","0.0017","14.6451","0.0018","29.827","0.004","82.953","0.002","78.017","0.002","66.121","0.001","5429.5","1.2","90","","90","","","","","","","","","7","P -1","-P 1","2","","","","- C111 H116 Au7 B3 F12 O3 P8 -","- C111 H116 Au7 B3 F12 O3 P8 -","- C222 H232 Au14 B6 F24 O6 P16 -","2","1","","Shichibu, Yukatsu; Zhang, Mingzhe; Kamei, Yutaro; Konishi, Katsuaki","[Au7](3+): a missing link in the four-electron gold cluster family.","Journal of the American Chemical Society","2014","136","37","12892","12895","10.1021/ja508005x","","","0.71073","MoKα","","0.1311","0.0627","","","0.1593","0.2062","","","","","","0.96","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122597","5.675","","5.675","","5.675","","90","","90","","90","","182.767","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Sodium Triyttrium Fluoride","","- F10 Na Y3 -","- F9.996 Na Y3 -","- F9.996 Na Y3 -","1","0.0208333","","Zalkin, A.; Templeton, D.H.","The crystal structures of yttrium fluoride and related compounds","Journal of the American Chemical Society","1953","75","","2453","2458","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122598","10.8664","0.0002","17.5792","0.0003","17.7365","0.0003","90","","90","","90","","3388.07","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H46 Co P2 Si2 -","- C34 H46 Co P2 Si2 -","- C136 H184 Co4 P8 Si8 -","4","1","","Friedfeld, Max R.; Margulieux, Grant W.; Schaefer, Brian A.; Chirik, Paul J.","Bis(phosphine)cobalt dialkyl complexes for directed catalytic alkene hydrogenation.","Journal of the American Chemical Society","2014","136","38","13178","13181","10.1021/ja507902z","","","1.54178","CuKα","","0.0747","0.0735","","","0.2211","0.2221","","","","","","1.092","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122599","14.892","0.004","10.862","0.003","15.727","0.004","90","","95.056","0.005","90","","2534.1","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H46 Co P2 Si2 -","- C18 H46 Co P2 Si2 -","- C72 H184 Co4 P8 Si8 -","4","0.5","","Friedfeld, Max R.; Margulieux, Grant W.; Schaefer, Brian A.; Chirik, Paul J.","Bis(phosphine)cobalt dialkyl complexes for directed catalytic alkene hydrogenation.","Journal of the American Chemical Society","2014","136","38","13178","13181","10.1021/ja507902z","","","0.71073","MoKα","","0.0811","0.0523","","","0.1355","0.1552","","","","","","1.036","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122600","16.251","0.0014","10.3659","0.0009","12.8209","0.0011","90","","92.811","0.002","90","","2157.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H38 Co P2 Si2 -","- C14 H38 Co P2 Si2 -","- C56 H152 Co4 P8 Si8 -","4","0.5","","Friedfeld, Max R.; Margulieux, Grant W.; Schaefer, Brian A.; Chirik, Paul J.","Bis(phosphine)cobalt dialkyl complexes for directed catalytic alkene hydrogenation.","Journal of the American Chemical Society","2014","136","38","13178","13181","10.1021/ja507902z","","","0.71073","MoKα","","0.0234","0.0206","","","0.0589","0.0729","","","","","","1.228","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122601","20.3936","0.0005","11.7894","0.0003","19.1693","0.0005","90","","116.206","0.002","90","","4135.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H58 Co P2 Si2 -","- C43 H58 Co P2 Si2 -","- C172 H232 Co4 P8 Si8 -","4","1","","Friedfeld, Max R.; Margulieux, Grant W.; Schaefer, Brian A.; Chirik, Paul J.","Bis(phosphine)cobalt dialkyl complexes for directed catalytic alkene hydrogenation.","Journal of the American Chemical Society","2014","136","38","13178","13181","10.1021/ja507902z","","","1.54178","CuKα","","0.0517","0.0421","","","0.1063","0.1126","","","","","","1.022","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122602","9.9345","0.001","9.0704","0.0009","18.5496","0.0018","90","","95.247","0.002","90","","1664.5","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H36 Co P2 -","- C34 H36 Co P2 -","- C68 H72 Co2 P4 -","2","1","","Friedfeld, Max R.; Margulieux, Grant W.; Schaefer, Brian A.; Chirik, Paul J.","Bis(phosphine)cobalt dialkyl complexes for directed catalytic alkene hydrogenation.","Journal of the American Chemical Society","2014","136","38","13178","13181","10.1021/ja507902z","","","0.71073","MoKα","","0.0602","0.0495","","","0.1474","0.1565","","","","","","1.101","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122603","20.1817","0.0004","39.2294","0.001","29.3154","0.0007","90","","93.412","0.002","90","","23168.3","0.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C115 H101 Eu F9 N9 O21 S3 -","- C115 H101 Eu F9 N9 O21 S3 -","- C920 H808 Eu8 F72 N72 O168 S24 -","8","2","","Ayme, Jean-François; Gil-Ramírez, Guzmán; Leigh, David A.; Lemonnier, Jean-François; Markevicius, Augustinas; Muryn, Christopher A.; Zhang, Gen","Lanthanide template synthesis of a molecular trefoil knot.","Journal of the American Chemical Society","2014","136","38","13142","13145","10.1021/ja506886p","","","0.71073","MoKα","","0.231","0.1069","","","0.2713","0.36","","","","","","1.019","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122604","9.5404","0.0007","11.9679","0.001","18.6011","0.0011","90","","120.857","0.003","90","","1823.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 P3 -","- C15 H29 P3 -","- C60 H116 P12 -","4","1","","Longobardi, Lauren E.; Russell, Christopher A.; Green, Michael; Townsend, Nell S.; Wang, Kun; Holmes, Arthur J.; Duckett, Simon B.; McGrady, John E.; Stephan, Douglas W.","Hydrogen activation by an aromatic triphosphabenzene.","Journal of the American Chemical Society","2014","136","38","13453","13457","10.1021/ja5077525","","","0.71073","MoKα","","0.1031","0.0655","","","0.1662","0.1896","","","","","","1.026","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122605","15.2213","0.0017","18.6643","0.0019","16.9332","0.0019","90","","93.967","0.002","90","","4799.1","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H57 B Fe N7 P -","- C55 H57 B Fe N7 P -","- C220 H228 B4 Fe4 N28 P4 -","4","1","","Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M.","Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes.","Journal of the American Chemical Society","2014","136","38","13326","13332","10.1021/ja506425a","","","0.71073","MoKα","","0.0997","0.0509","","","0.1079","0.1286","","","","","","1.019","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4122606","13.4351","0.0005","17.1822","0.0006","21.9969","0.0008","90","","98.822","0.002","90","","5017.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H65 B Fe N7 O P -","- C54 H65 B Fe N7 O P -","- C216 H260 B4 Fe4 N28 O4 P4 -","4","1","","Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M.","Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes.","Journal of the American Chemical Society","2014","136","38","13326","13332","10.1021/ja506425a","","","0.71073","MoKα","","0.1073","0.0574","","","0.1122","0.128","","","","","","1.012","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122607","13.5728","0.0006","17.4335","0.0008","22.004","0.001","90","","99.14","0.002","90","","5140.5","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H67 B Fe N7 P -","- C55 H67 B Fe N7 P -","- C220 H268 B4 Fe4 N28 P4 -","4","1","","Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M.","Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes.","Journal of the American Chemical Society","2014","136","38","13326","13332","10.1021/ja506425a","","","0.71073","MoKα","","0.0706","0.0487","","","0.1243","0.1379","","","","","","1.03","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4122608","29.0822","0.0011","29.0822","0.0011","32.064","0.0015","90","","90","","120","","23485.7","1.7","100","2","100","2","","","","","","","","6","R -3","-R 3","148","HJL-PMe3-B1Z1","","","- C45 H53 B Fe N7 P -","- C45 H53 B Fe N7 P -","- C810 H954 B18 Fe18 N126 P18 -","18","","","Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M.","Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes.","Journal of the American Chemical Society","2014","136","38","13326","13332","10.1021/ja506425a","","","0.71073","MoKα","","0.096","0.0661","","","0.167","0.1807","","","","","","1.086","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122609","16.4633","0.0007","53.391","0.002","16.162","0.0008","90","","90","","90","","14206.3","1.1","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C51 H65 B Fe N7 P -","- C51 H65 B Fe N7 P -","- C612 H780 B12 Fe12 N84 P12 -","12","3","","Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M.","Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes.","Journal of the American Chemical Society","2014","136","38","13326","13332","10.1021/ja506425a","","","0.71073","MoKα","","0.0933","0.0645","","","0.1464","0.185","","","","","","1.024","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4122610","22.4029","0.0006","13.1509","0.0004","41.043","0.0011","90","","90.453","0.0014","90","","12091.6","0.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","DSA40","","","- C65.5 H62 B F9 Fe N7 P -","- C65.5 H62 B F9 Fe N7 P -","- C524 H496 B8 F72 Fe8 N56 P8 -","8","1","","Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M.","Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes.","Journal of the American Chemical Society","2014","136","38","13326","13332","10.1021/ja506425a","","","0.71073","MoKα","","0.0574","0.0472","","","0.12","0.1275","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122611","9.1763","0.0003","9.5392","0.0003","17.2775","0.0007","90","","90","","90","","1512.38","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 Br N O -","- C16 H26 Br N O -","- C64 H104 Br4 N4 O4 -","4","1","","Lee, Amy S.; Liau, Brian B.; Shair, Matthew D.","A unified strategy for the synthesis of 7-membered-ring-containing Lycopodium alkaloids.","Journal of the American Chemical Society","2014","136","38","13442","13452","10.1021/ja507740u","","","1.54178","CuKα","","0.0159","0.0159","","","0.0428","0.0428","","","","","","1.086","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122612","17.864","0.003","25.801","0.005","26.912","0.005","90","","91.809","0.003","90","","12398","4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C129 H112 Au11 Cl4 P7 -","- C129 H106 Au11 Cl4 P7 -","- C516 H424 Au44 Cl16 P28 -","4","1","","McKenzie, Lallie C.; Zaikova, Tatiana O.; Hutchison, James E.","Structurally similar triphenylphosphine-stabilized undecagolds, Au11(PPh3)7Cl3 and [Au11(PPh3)8Cl2]Cl, exhibit distinct ligand exchange pathways with glutathione.","Journal of the American Chemical Society","2014","136","38","13426","13435","10.1021/ja5075689","","","0.7749","synchrotron","","0.0573","0.0347","","","0.0822","0.0935","","","","","","1.069","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122613","22.5421","0.0015","18.0509","0.0012","34.593","0.002","90","","96.067","0.001","90","","13997.2","1.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C154 H148 Au11 Cl7 O4 P8 -","- C144 H120 Au11 Cl2 P8 -","- C576 H480 Au44 Cl8 P32 -","4","1","","McKenzie, Lallie C.; Zaikova, Tatiana O.; Hutchison, James E.","Structurally similar triphenylphosphine-stabilized undecagolds, Au11(PPh3)7Cl3 and [Au11(PPh3)8Cl2]Cl, exhibit distinct ligand exchange pathways with glutathione.","Journal of the American Chemical Society","2014","136","38","13426","13435","10.1021/ja5075689","","","0.71073","MoKα","","0.0886","0.0484","","","0.1045","0.1144","","","","","","1.04","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122614","12.8592","0.0008","16.5264","0.001","16.6726","0.001","90","","92.482","0.003","90","","3539.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Compound 24","","- C41 H56 N2 Ni -","- C41 H56 N2 Ni -","- C164 H224 N8 Ni4 -","4","1","","Bair, Joseph S.; Schramm, York; Sergeev, Alexey G.; Clot, Eric; Eisenstein, Odile; Hartwig, John F.","Linear-selective hydroarylation of unactivated terminal and internal olefins with trifluoromethyl-substituted arenes.","Journal of the American Chemical Society","2014","136","38","13098","13101","10.1021/ja505579f","","","0.71073","MoKα","","0.0399","0.0309","","","0.0661","0.0704","","","","","","1.038","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4122615","32.6205","0.0016","32.6205","0.0016","32.6205","0.0016","90","","90","","90","","34711","3","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C120 H76 O32 Zr6 -","- C120 H72 O32 Zr6 -","- C480 H288 O128 Zr24 -","4","0.0208333","","Manna, Kuntal; Zhang, Teng; Carboni, Michaël; Abney, Carter W.; Lin, Wenbin","Salicylaldimine-based metal-organic framework enabling highly active olefin hydrogenation with iron and cobalt catalysts.","Journal of the American Chemical Society","2014","136","38","13182","13185","10.1021/ja507947d","","","0.41328","","","0.0809","0.0771","","","0.2168","0.223","","","","","","2.033","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122616","12.5283","0.001","15.1652","0.0013","16.1665","0.0014","90","","97.5071","0.0017","90","","3045.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H64 Cl4 Fe4 N4 O7 -","- C64 H56 Cl4 Fe4 N4 O7 -","- C128 H112 Cl8 Fe8 N8 O14 -","2","0.5","","Manna, Kuntal; Zhang, Teng; Carboni, Michaël; Abney, Carter W.; Lin, Wenbin","Salicylaldimine-based metal-organic framework enabling highly active olefin hydrogenation with iron and cobalt catalysts.","Journal of the American Chemical Society","2014","136","38","13182","13185","10.1021/ja507947d","","","0.41328","","","0.1081","0.0873","","","0.2982","0.3052","","","","","","2.079","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122617","6.0917","0.0003","28.7804","0.0014","8.886","0.0004","90","","91.852","0.002","90","","1557.09","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(EDBE)[PbBr4]","2,2'-(ethylenedioxy)bis(ethylammonium) tetrabromoplumbate","","- C6 H18 Br4 N2 O2 Pb -","- C6 H18 Br4 N2 O2 Pb -","- C24 H72 Br16 N8 O8 Pb4 -","4","1","","Dohner, Emma R.; Jaffe, Adam; Bradshaw, Liam R.; Karunadasa, Hemamala I.","Intrinsic white-light emission from layered hybrid perovskites.","Journal of the American Chemical Society","2014","136","38","13154","13157","10.1021/ja507086b","","x-ray","0.71073","MoKα","","0.0246","0.0234","","","0.0623","0.0638","","","","","","1.085","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122618","6.494","0.0005","29.461","0.002","9.2666","0.0007","90","","91.777","0.002","90","","1772","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(EDBE)[PbI4]","2,2'-(ethylenedioxy)bis(ethylammonium) tetraiodoplumbate","","- C6 H18 I4 N2 O2 Pb -","- C6 H18 I4 N2 O2 Pb -","- C24 H72 I16 N8 O8 Pb4 -","4","1","","Dohner, Emma R.; Jaffe, Adam; Bradshaw, Liam R.; Karunadasa, Hemamala I.","Intrinsic white-light emission from layered hybrid perovskites.","Journal of the American Chemical Society","2014","136","38","13154","13157","10.1021/ja507086b","","x-ray","0.71073","MoKα","","0.0173","0.0163","","","0.0415","0.0425","","","","","","1.002","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122619","7.7316","0.001","7.5418","0.001","13.2928","0.0018","90","","102.481","0.004","90","","756.79","0.17","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","(EDBE)[PbCl4]","2,2'-(ethylenedioxy)bis(ethylammonium) tetrachloroplumbate","","- C6 H18 Cl4 N2 O2 Pb -","- C6 H18 Cl4 N2 O2 Pb -","- C12 H36 Cl8 N4 O4 Pb2 -","2","0.5","","Dohner, Emma R.; Jaffe, Adam; Bradshaw, Liam R.; Karunadasa, Hemamala I.","Intrinsic white-light emission from layered hybrid perovskites.","Journal of the American Chemical Society","2014","136","38","13154","13157","10.1021/ja507086b","","x-ray","0.71073","MoKα","","0.0285","0.0285","","","0.0786","0.0786","","","","","","1.155","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122620","4.8784","0.0008","10.6424","0.0017","15.881","0.003","99.955","0.002","96.953","0.002","90.633","0.002","805.7","0.2","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C14 H12 Cl2 F3 N O5 -","- C14 H12 Cl2 F3 N O5 -","- C28 H24 Cl4 F6 N2 O10 -","2","2","","Lu, Deng-Fu; Zhu, Cheng-Liang; Jia, Zhen-Xin; Xu, Hao","Iron(II)-catalyzed intermolecular amino-oxygenation of olefins through the N-O bond cleavage of functionalized hydroxylamines.","Journal of the American Chemical Society","2014","136","38","13186","13189","10.1021/ja508057u","","","0.71073","MoKα","","0.0563","0.0495","","","0.1187","0.1238","","","","","","1.041","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122621","11.9963","0.0005","13.7328","0.0004","21.8345","0.0008","90.837","0.002","98.991","0.002","110.539","0.002","3317.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1_[(CyPBP)CoH]2","","","- C70 H112 B2 Co2 N4 P4 -","- C70 H112 B2 Co2 N4 P4 -","- C140 H224 B4 Co4 N8 P8 -","2","1","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.0431","0.0338","","","0.0891","0.095","","","","","","1.003","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122622","13.5896","0.0008","23.6347","0.0014","24.0614","0.0015","81.261","0.001","80.57","0.002","75.633","0.002","7335.1","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","2_[(CyPBP)CoH]2[PF6]","","","- C276 H470 B8 Co8 F24 N16 O5 P20 -","- C276 H470 B8 Co8 F24 N16 O5 P20 -","- C276 H470 B8 Co8 F24 N16 O5 P20 -","1","0.5","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.1021","0.0529","","","0.113","0.1315","","","","","","1.016","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122623","13.0122","0.0005","14.2187","0.0006","18.003","0.0007","97.033","0.002","108.039","0.002","115.166","0.002","2738.7","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","3_[(PhPBP)Ni]","","","- C64 H56 B2 N4 Ni2 P4 -","- C64 H56 B2 N4 Ni2 P4 -","- C128 H112 B4 N8 Ni4 P8 -","2","2","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.057","0.0409","","","0.0772","0.0933","","","","","","1.001","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122624","11.6572","0.0004","14.3769","0.0005","31.9983","0.0012","90","","90","","90","","5362.7","0.3","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","5_(tBuPBP)NiCl","","","- C24 H44 B Cl N2 Ni P2 -","- C24 H44 B Cl N2 Ni P2 -","- C192 H352 B8 Cl8 N16 Ni8 P16 -","8","1","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.0302","0.0276","","","0.0721","0.0739","","","","","","1.006","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122625","12.502","0.002","15.269","0.004","17.419","0.004","102.463","0.006","107.648","0.008","90.012","0.007","3086.3","1.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","6_(tBuPBP)NiOTf","","","- C25 H44 B F3 N2 Ni O3 P2 S -","- C25 H44 B F3 N2 Ni O3 P2 S -","- C100 H176 B4 F12 N8 Ni4 O12 P8 S4 -","4","2","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.0536","0.0464","","","0.1133","0.1188","","","","","","1.032","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122626","11.9309","0.0017","15.669","0.002","29.546","0.004","90","","99.204","0.008","90","","5452.4","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","7_(tBuPBP)NiH","","","- C24 H45 B N2 Ni P2 -","- C24 H45 B N2 Ni P2 -","- C192 H360 B8 N16 Ni8 P16 -","8","2","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.065","0.0411","","","0.0941","0.1047","","","","","","1.028","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122627","12.0755","0.0018","14.717","0.002","31.911","0.004","90","","90","","90","","5671.1","1.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","8_(tBuPBP)NiOC(H)O","","","- C25 H45 B N2 Ni O2 P2 -","- C25 H45 B N2 Ni O2 P2 -","- C200 H360 B8 N16 Ni8 O16 P16 -","8","1","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.1114","0.054","","","0.0991","0.1189","","","","","","1.021","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122628","7.9038","0.0006","9.2715","0.0007","9.2904","0.0007","61.644","0.001","72.462","0.001","82.794","0.001","571.14","0.08","113","2","113","2","","","","","","","","5","P -1","-P 1","2","K2{HOOC(CH2)4COOH}[Zn2(C2O4)3](H2O)3","","","- C12 H16 K2 O19 Zn2 -","- C12 K2 O19 Zn2 -","- C12 K2 O19 Zn2 -","1","0.5","","Sadakiyo, Masaaki; Yamada, Teppei; Kitagawa, Hiroshi","Proton conductivity control by ion substitution in a highly proton-conductive metal-organic framework.","Journal of the American Chemical Society","2014","136","38","13166","13169","10.1021/ja507634v","","","0.71073","MoKα","","0.0255","0.0251","","","0.0759","0.0761","","","","","","1.091","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122629","6.5138","0.0001","8.157","0.0001","25.3751","0.0017","90","","90","","90","","1348.26","0.09","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Han, Jing-Chun; Li, Fuzhuo; Li, Chuang-Chuang","Collective synthesis of humulanolides using a metathesis cascade reaction.","Journal of the American Chemical Society","2014","136","39","13610","13613","10.1021/ja5084927","","","1.54187","CuKα","","","0.056","","","","0.1707","","","","","","1.092","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122630","5.9752","0.0002","13.963","0.0004","17.2188","0.0012","90","","90","","90","","1436.59","0.12","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Han, Jing-Chun; Li, Fuzhuo; Li, Chuang-Chuang","Collective synthesis of humulanolides using a metathesis cascade reaction.","Journal of the American Chemical Society","2014","136","39","13610","13613","10.1021/ja5084927","","","1.54178","CuKα","","0.0689","0.0589","","","0.1376","0.1605","","","","","","1.179","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122631","13.8412","0.0019","17.037","0.002","20.983","0.003","90","","98.441","0.007","90","","4894.5","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H74 Fe2 N2 O P4 Si2 -","- C48 H74 Fe2 N2 O P4 Si2 -","- C192 H296 Fe8 N8 O4 P16 Si8 -","4","1","","Rittle, Jonathan; McCrory, Charles C. L.; Peters, Jonas C.","A 10(6)-Fold Enhancement in N2-Binding Affinity of an Fe2(μ-H)2 Core upon Reduction to a Mixed-Valence Fe(II)Fe(I) State.","Journal of the American Chemical Society","2014","136","39","13853","13862","10.1021/ja507217v","","","0.71073","MoKα","","0.06","0.0345","","","0.074","0.0846","","","","","","1.022","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122632","14.5593","0.001","14.5601","0.001","21.2237","0.0014","94.695","0.002","90.478","0.002","119.603","0.002","3892.5","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C70 H120.99 Fe2 N4 Na O10.5 P4 Si2 -","- C69.996 H120.99 Fe2 N4 Na O10.499 P4 Si2 -","- C139.992 H241.98 Fe4 N8 Na2 O20.998 P8 Si4 -","2","1","","Rittle, Jonathan; McCrory, Charles C. L.; Peters, Jonas C.","A 10(6)-Fold Enhancement in N2-Binding Affinity of an Fe2(μ-H)2 Core upon Reduction to a Mixed-Valence Fe(II)Fe(I) State.","Journal of the American Chemical Society","2014","136","39","13853","13862","10.1021/ja507217v","","","0.71073","MoKα","","0.0813","0.0487","","","0.1117","0.1279","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122633","13.6471","0.0002","15.0512","0.0003","16.2264","0.0003","90","","99.0936","0.0009","90","","3291.1","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H60 Ni2 -","- C34 H60 Ni2 -","- C136 H240 Ni8 -","4","1","","Yao, Shu A.; Corcos, Amanda R.; Infante, Ivan; Hillard, Elizabeth A.; Clérac, Rodolphe; Berry, John F.","An ""Intermediate Spin"" Nickel Hydride Complex Stemming from Delocalized Ni2(μ-H)2 Bonding.","Journal of the American Chemical Society","2014","136","39","13538","13541","10.1021/ja507342a","","","1.54178","CuKα","","0.0353","0.033","","","0.09","0.0922","","","","","","0.993","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122634","12.5016","0.0003","18.0745","0.0004","20.0716","0.0005","72.074","0.001","88.776","0.001","84.763","0.001","4297.09","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Cp'2Ni2Br2","","","- C34 H58 Br2 Ni2 -","- C34 H58 Br1.996 Ni2 -","- C170 H290 Br9.98 Ni10 -","5","2.5","","Yao, Shu A.; Corcos, Amanda R.; Infante, Ivan; Hillard, Elizabeth A.; Clérac, Rodolphe; Berry, John F.","An ""Intermediate Spin"" Nickel Hydride Complex Stemming from Delocalized Ni2(μ-H)2 Bonding.","Journal of the American Chemical Society","2014","136","39","13538","13541","10.1021/ja507342a","","","0.71073","MoKα","","0.0804","0.035","","","0.0633","0.0689","","","","","","0.772","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122635","8.2681","0.0008","10.2507","0.001","10.4202","0.001","93.553","0.003","100.268","0.003","102.858","0.003","842.45","0.14","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H20 Au Cl N2 O2 S -","- C15 H20 Au Cl N2 O2 S -","- C30 H40 Au2 Cl2 N4 O4 S2 -","2","1","","Hu, Xingbang; Martin, David; Melaimi, Mohand; Bertrand, Guy","Gold-catalyzed hydroarylation of alkenes with dialkylanilines.","Journal of the American Chemical Society","2014","136","39","13594","13597","10.1021/ja507788r","","x-ray","0.71073","MoKα","","0.0484","0.0416","","","0.1096","0.1127","","","","","","1.106","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122636","9.19","0.0004","12.5091","0.0005","14.6497","0.0005","90","","106.992","0.001","90","","1610.59","0.11","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Au Cl N2 -","- C16 H22 Au Cl N2 -","- C64 H88 Au4 Cl4 N8 -","4","1","","Hu, Xingbang; Martin, David; Melaimi, Mohand; Bertrand, Guy","Gold-catalyzed hydroarylation of alkenes with dialkylanilines.","Journal of the American Chemical Society","2014","136","39","13594","13597","10.1021/ja507788r","","x-ray","0.71073","MoKα","","0.029","0.0229","","","0.0513","0.0534","","","","","","1.055","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122637","18.728","0.007","11.899","0.005","9.571","0.004","90","","90.329","0.005","90","","2132.8","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O -","- C27 H30 N2 O -","- C108 H120 N8 O4 -","4","1","","Deb, Arghya; Bag, Sukdev; Kancherla, Rajesh; Maiti, Debabrata","Palladium-catalyzed aryl C-h olefination with unactivated, aliphatic alkenes.","Journal of the American Chemical Society","2014","136","39","13602","13605","10.1021/ja5082734","","","0.71075","MoKα","","0.165","0.0903","","","0.2061","0.3157","","","","","","0.721","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122638","8.011","0.004","12.635","0.006","13.614","0.006","63.932","0.018","75.04","0.03","81.88","0.03","1195.2","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N2 O3 -","- C29 H30 N2 O3 -","- C58 H60 N4 O6 -","2","1","","Deb, Arghya; Bag, Sukdev; Kancherla, Rajesh; Maiti, Debabrata","Palladium-catalyzed aryl C-h olefination with unactivated, aliphatic alkenes.","Journal of the American Chemical Society","2014","136","39","13602","13605","10.1021/ja5082734","","","0.71075","MoKα","","0.1787","0.1054","","","0.2345","0.3014","","","","","","0.898","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122639","8.7109","0.0002","18.371","0.0003","13.1898","0.0002","90","","122.659","0.001","90","","1777.02","0.06","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 B Cu F4 N O -","- C18 H17 B Cu F4 N O -","- C72 H68 B4 Cu4 F16 N4 O4 -","4","1","","Yoshida, Suguru; Hatakeyama, Yasutomo; Johmoto, Kohei; Uekusa, Hidehiro; Hosoya, Takamitsu","Transient Protection of Strained Alkynes from Click Reaction via Complexation with Copper.","Journal of the American Chemical Society","2014","136","39","13590","13593","10.1021/ja507660x","","","1.54186","CuKα","","0.0413","0.0369","","","0.0976","0.1023","","","","","","1.091","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122640","8.3108","0.0009","6.1042","0.0007","11.6311","0.0013","90","","108.656","0.002","90","","559.05","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H10 Cl P -","- C14 H10 Cl P -","- C28 H20 Cl2 P2 -","2","1","","Velian, Alexandra; Nava, Matthew; Temprado, Manuel; Zhou, Yan; Field, Robert W.; Cummins, Christopher C.","A retro diels-alder route to diphosphorus chemistry: molecular precursor synthesis, kinetics of p2 transfer to 1,3-dienes, and detection of p2 by molecular beam mass spectrometry.","Journal of the American Chemical Society","2014","136","39","13586","13589","10.1021/ja507922x","","","0.71073","MoKα","","0.0299","0.0286","","","0.0765","0.0773","","","","","","1.064","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122641","10.5027","0.001","21.598","0.002","14.9821","0.0014","90","","104.9","0.002","90","","3284.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H23 Al2 Cl8 P2 -","- C29.5 H22 Al Cl8 P2 -","- C118 H88 Al4 Cl32 P8 -","4","1","","Velian, Alexandra; Nava, Matthew; Temprado, Manuel; Zhou, Yan; Field, Robert W.; Cummins, Christopher C.","A retro diels-alder route to diphosphorus chemistry: molecular precursor synthesis, kinetics of p2 transfer to 1,3-dienes, and detection of p2 by molecular beam mass spectrometry.","Journal of the American Chemical Society","2014","136","39","13586","13589","10.1021/ja507922x","","","0.71073","MoKα","","0.1064","0.0856","","","0.2156","0.2251","","","","","","1.197","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122642","15.716","0.003","19.409","0.004","20.207","0.004","90","","90","","90","","6164","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H25 B F4 Mo O3 P2 -","- C36 H25 B F4 Mo O3 P2 -","- C288 H200 B8 F32 Mo8 O24 P16 -","8","1","","Velian, Alexandra; Nava, Matthew; Temprado, Manuel; Zhou, Yan; Field, Robert W.; Cummins, Christopher C.","A retro diels-alder route to diphosphorus chemistry: molecular precursor synthesis, kinetics of p2 transfer to 1,3-dienes, and detection of p2 by molecular beam mass spectrometry.","Journal of the American Chemical Society","2014","136","39","13586","13589","10.1021/ja507922x","","","0.71073","MoKα","","0.0377","0.0335","","","0.087","0.0902","","","","","","1.101","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122643","20.508","0.002","11.6305","0.0012","20.199","0.002","90","","109.809","0.0019","90","","4532.8","0.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C49 H71 Cu3 N8 O -","- C49 H71 Cu3 N8 O -","- C196 H284 Cu12 N32 O4 -","4","1","","Murray, Leslie J.; Weare, Walter W.; Shearer, Jason; Mitchell, Alyssa D.; Abboud, Khalil A.","Isolation of a (Dinitrogen)Tricopper(I) Complex","Journal of the American Chemical Society","2014","","","140919104426007","","10.1021/ja506445d","","","0.71073","MoKα","","0.0639","0.0381","","","0.0608","0.0655","","","","","","0.887","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122644","6.7094","0.0015","15.687","0.004","19.052","0.004","90","","90","","90","","2005.2","0.8","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br Cl2 N O3 -","- C21 H18 Br Cl2 N O3 -","- C84 H72 Br4 Cl8 N4 O12 -","4","1","","Zhu, Yunbo; Zhang, Long; Luo, Sanzhong","Asymmetric α-Photoalkylation of β-Ketocarbonyls by Primary Amine Catalysis: Facile Access to Acyclic All-Carbon Quaternary Stereocenters.","Journal of the American Chemical Society","2014","136","42","14642","14645","10.1021/ja508605a","","","0.71073","MoKα","","0.0346","0.0332","","","0.0785","0.0796","","","","","","1.1","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122645","17.888","0.003","9.4477","0.0014","18.022","0.003","90","","90","","90","","3045.7","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H21 N O2 S -","- C14 H21 N O2 S -","- C112 H168 N8 O16 S8 -","8","1","","Shigehisa, Hiroki; Koseki, Natsumi; Shimizu, Nao; Fujisawa, Mayu; Niitsu, Makoto; Hiroya, Kou","Catalytic hydroamination of unactivated olefins using a co catalyst for complex molecule synthesis.","Journal of the American Chemical Society","2014","136","39","13534","13537","10.1021/ja507295u","","","0.71073","MoKα","","0.0491","0.0407","","","0.1119","0.1205","","","","","","0.939","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122646","7.7421","0.0018","21.21","0.005","7.4082","0.0017","90","","98.222","0.002","90","","1204","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O -","- C15 H13 N O -","- C60 H52 N4 O4 -","4","1","","Shigehisa, Hiroki; Koseki, Natsumi; Shimizu, Nao; Fujisawa, Mayu; Niitsu, Makoto; Hiroya, Kou","Catalytic hydroamination of unactivated olefins using a co catalyst for complex molecule synthesis.","Journal of the American Chemical Society","2014","136","39","13534","13537","10.1021/ja507295u","","","0.71073","MoKα","","0.065","0.0417","","","0.1016","0.1136","","","","","","1.025","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122647","6.5204","0.0011","26.602","0.004","7.9704","0.0013","90","","101.144","0.002","90","","1356.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O2 S -","- C13 H19 N O2 S -","- C52 H76 N4 O8 S4 -","4","1","","Shigehisa, Hiroki; Koseki, Natsumi; Shimizu, Nao; Fujisawa, Mayu; Niitsu, Makoto; Hiroya, Kou","Catalytic hydroamination of unactivated olefins using a co catalyst for complex molecule synthesis.","Journal of the American Chemical Society","2014","136","39","13534","13537","10.1021/ja507295u","","","0.71073","MoKα","","0.0632","0.0535","","","0.1223","0.1285","","","","","","1.004","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122648","12.0434","0.0003","16.6809","0.0003","19.6812","0.0004","90","","105.521","0.002","90","","3809.66","0.15","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 Cl2 F5 Fe N6 O8 -","- C37 H28 Cl2 F5 Fe N6 O8 -","- C148 H112 Cl8 F20 Fe4 N24 O32 -","4","1","","Sahu, Sumit; Quesne, Matthew G.; Davies, Casey G.; Dürr, Maximilian; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; de Visser, Sam P.; Goldberg, David P.","Direct Observation of a Nonheme Iron(IV)-Oxo Complex That Mediates Aromatic C-F Hydroxylation.","Journal of the American Chemical Society","2014","136","39","13542","13545","10.1021/ja507346t","","","1.54178","CuKα","","0.0449","0.0375","","","0.0946","0.0994","","","","","","1.034","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122649","11.468","0.0003","13.2371","0.0004","14.0375","0.0004","107.298","0.002","90.325","0.002","115.477","0.003","1814.52","0.11","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H28 Cl2 F3 Fe N6 O9 -","- C37 H28 Cl2 F3 Fe N6 O9 -","- C74 H56 Cl4 F6 Fe2 N12 O18 -","2","1","","Sahu, Sumit; Quesne, Matthew G.; Davies, Casey G.; Dürr, Maximilian; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; de Visser, Sam P.; Goldberg, David P.","Direct Observation of a Nonheme Iron(IV)-Oxo Complex That Mediates Aromatic C-F Hydroxylation.","Journal of the American Chemical Society","2014","136","39","13542","13545","10.1021/ja507346t","","","1.54178","CuKα","","0.0812","0.0724","","","0.2086","0.2158","","","","","","1.054","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122650","11.75412","0.00016","16.2865","0.0002","19.2739","0.0003","90","","99.2246","0.0013","90","","3641.95","0.09","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 Cl2 F4 Fe N6 O8 -","- C37 H28 Cl2 F4 Fe N6 O8 -","- C148 H112 Cl8 F16 Fe4 N24 O32 -","4","1","","Sahu, Sumit; Quesne, Matthew G.; Davies, Casey G.; Dürr, Maximilian; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; de Visser, Sam P.; Goldberg, David P.","Direct Observation of a Nonheme Iron(IV)-Oxo Complex That Mediates Aromatic C-F Hydroxylation.","Journal of the American Chemical Society","2014","136","39","13542","13545","10.1021/ja507346t","","","0.71073","MoKα","","0.0386","0.0317","","","0.0815","0.0846","","","","","","1.051","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122651","10.4244","0.0007","31.64","0.002","12.6878","0.0008","90","","107.884","0.003","90","","3982.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cp*(IXy)(H)2RuSnTrip","","- C44 H60 N2 Ru Sn -","- C44 H58 N2 Ru Sn -","- C176 H232 N8 Ru4 Sn4 -","4","1","","Liu, Hsueh-Ju; Guihaumé, Julie; Davin, Thomas; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","1,2-Hydrogen Migration to a Saturated Ruthenium Complex via Reversal of Electronic Properties for Tin in a Stannylene-to-Metallostannylene Conversion.","Journal of the American Chemical Society","2014","136","40","13991","","10.1021/ja507799e","","","0.71073","MoKα","","0.0955","0.0867","","","0.2038","0.2073","","","","","","1.235","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122652","6.1781","0.0011","35.439","0.006","15.264","0.003","90","","100.518","0.003","90","","3285.8","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H74 N12 O14 S4 -","- C59 H74 N12 O14 S4 -","- C118 H148 N24 O28 S8 -","2","1","","Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Guest Exchange through Single Crystal-Single Crystal Transformations in a Flexible Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2014","136","40","14200","","10.1021/ja507689m","","","0.71073","MoKα","","0.1243","0.094","","","0.2297","0.2395","","","","","","1.135","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122653","6.001","0.003","35.559","0.015","15.223","0.006","90","","101.047","0.004","90","","3188","2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H74 N12 O20 S4 -","- C50 H74 N12 O20 S4 -","- C100 H148 N24 O40 S8 -","2","1","","Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Guest Exchange through Single Crystal-Single Crystal Transformations in a Flexible Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2014","136","40","14200","","10.1021/ja507689m","","","0.71073","MoKα","","0.217","0.1344","","","0.3043","0.3409","","","","","","1.138","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122654","16.068","0.004","18.326","0.004","35.252","0.008","80.336","0.003","85.481","0.003","77.775","0.003","9991","4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C54 H82.18 N12 O22.17 S4 -","- C54.0047 H82.176 N12 O22.1617 S3.99833 -","- C324.028 H493.056 N72 O132.97 S23.99 -","6","6","","Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Guest Exchange through Single Crystal-Single Crystal Transformations in a Flexible Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2014","136","40","14200","","10.1021/ja507689m","","","0.71073","MoKα","","0.1709","0.1099","","","0.2799","0.3016","","","","","","1.129","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122655","16.049","0.004","18.303","0.004","35.233","0.008","80.303","0.003","85.43","0.003","77.818","0.003","9961","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H82.18 N12 O22.17 S4 -","- C34 H43.3333 N12 O11.8643 S4 -","- C204 H260 N72 O71.186 S24 -","6","3","","Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Guest Exchange through Single Crystal-Single Crystal Transformations in a Flexible Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2014","136","40","14200","","10.1021/ja507689m","","","0.71073","MoKα","","0.1676","0.1339","","","0.3601","0.3856","","","","","","1.261","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122656","12.043","0.005","15.891","0.006","34.087","0.013","84.671","0.005","87.393","0.005","83.725","0.004","6452","4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C54 H82 N12 O17 S4 -","- C54 H82 N12 O17 S4 -","- C216 H328 N48 O68 S16 -","4","4","","Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Guest Exchange through Single Crystal-Single Crystal Transformations in a Flexible Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2014","136","40","14200","","10.1021/ja507689m","","","0.71073","MoKα","","0.2252","0.1405","","","0.3221","0.3487","","","","","","1.025","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122657","21.66","0.002","5.489","0.0007","16.9869","0.0018","90","","113.084","0.006","90","","1857.9","0.4","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H30 O6 -","- C18 H30 O6 -","- C72 H120 O24 -","4","1","","Saha, Tanmoy; Dasari, Sathish; Tewari, Debanjan; Prathap, Annamalai; Sureshan, Kana M.; Bera, Amal K.; Mukherjee, Arnab; Talukdar, Pinaki","Hopping-Mediated Anion Transport through a Mannitol-Based Rosette Ion Channel.","Journal of the American Chemical Society","2014","136","40","14128","","10.1021/ja506278z","","","0.71073","MoKα","","0.1176","0.0678","","","0.1835","0.2309","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122658","14.199","0.005","5.526","0.005","18.342","0.005","90","0.005","93.478","0.005","90","0.005","1436.5","1.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O6 -","- C12 H22 O6 -","- C48 H88 O24 -","4","2","","Saha, Tanmoy; Dasari, Sathish; Tewari, Debanjan; Prathap, Annamalai; Sureshan, Kana M.; Bera, Amal K.; Mukherjee, Arnab; Talukdar, Pinaki","Hopping-Mediated Anion Transport through a Mannitol-Based Rosette Ion Channel.","Journal of the American Chemical Society","2014","136","40","14128","","10.1021/ja506278z","","","0.71073","MoKα","","0.0682","0.0409","","","0.111","0.1448","","","","","","1.113","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122659","37.246","0.0007","38.9864","0.0006","13.6966","0.0003","90","","90","","90","","19888.7","0.7","100.15","","100.15","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C92 H164 Cu4 O6 S6 Sm4 -","- C92 H164 Cu4 O6 S6 Sm4 -","- C736 H1312 Cu32 O48 S48 Sm32 -","8","0.5","","Arleth, Nicholas; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Realgar as a Building Block for Lanthanide Clusters: Encapsulation of a Copper Cluster by a Lanthanide Cluster.","Journal of the American Chemical Society","2014","136","40","14023","","10.1021/ja508880z","","","0.71073","MoKα","","0.0417","0.0375","","","0.0911","0.093","","","","","","1.009","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122660","18.1249","0.0004","25.8707","0.0004","20.4267","0.0004","90","","95.652","0.002","90","","9531.6","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H137 As3 O4 S7 Sm4 -","- C86 H137 As3 O4 S7 Sm4 -","- C344 H548 As12 O16 S28 Sm16 -","4","1","","Arleth, Nicholas; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Realgar as a Building Block for Lanthanide Clusters: Encapsulation of a Copper Cluster by a Lanthanide Cluster.","Journal of the American Chemical Society","2014","136","40","14023","","10.1021/ja508880z","","","0.71073","MoKα","","0.0335","0.0285","","","0.0654","0.0677","","","","","","1.045","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122661","13.009","0.003","13.399","0.003","19.68","0.004","85.64","0.03","87.33","0.03","69.09","0.03","3194.5","1.4","150.15","","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H84 As3 O3 S6 Yb3 -","- C52 H84 As3 O3 S6 Yb3 -","- C104 H168 As6 O6 S12 Yb6 -","2","1","","Arleth, Nicholas; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Realgar as a Building Block for Lanthanide Clusters: Encapsulation of a Copper Cluster by a Lanthanide Cluster.","Journal of the American Chemical Society","2014","136","40","14023","","10.1021/ja508880z","","","0.71073","MoKα","","0.0843","0.0682","","","0.1675","0.1776","","","","","","1.028","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122662","14.0987","0.0005","28.9735","0.0014","16.6015","0.0006","90","","112.253","0.003","90","","6276.4","0.5","100.15","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H95 As2 O S6 Sm3 -","- C55 H95 As2 O S6 Sm3 -","- C220 H380 As8 O4 S24 Sm12 -","4","1","","Arleth, Nicholas; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Realgar as a Building Block for Lanthanide Clusters: Encapsulation of a Copper Cluster by a Lanthanide Cluster.","Journal of the American Chemical Society","2014","136","40","14023","","10.1021/ja508880z","","","0.71073","MoKα","","0.0632","0.03","","","0.0435","0.0499","","","","","","0.808","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122663","8.5385","0.0003","11.9152","0.0005","19.7595","0.001","93.682","0.004","90.745","0.004","108.932","0.003","1896.4","0.15","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H45 As2 S6 Yb3 -","- C30 H45 As2 S6 Yb3 -","- C60 H90 As4 S12 Yb6 -","2","1","","Arleth, Nicholas; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Realgar as a Building Block for Lanthanide Clusters: Encapsulation of a Copper Cluster by a Lanthanide Cluster.","Journal of the American Chemical Society","2014","136","40","14023","","10.1021/ja508880z","","","0.71073","MoKα","","0.0685","0.0491","","","0.1177","0.1301","","","","","","0.956","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122664","23.933","0.005","15.656","0.003","27.292","0.006","90","","102.18","0.03","90","","9996","4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H129 As3 O3 S7 Sm4 -","- C82 H129 As3 O3 S7 Sm4 -","- C328 H516 As12 O12 S28 Sm16 -","4","1","","Arleth, Nicholas; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Realgar as a Building Block for Lanthanide Clusters: Encapsulation of a Copper Cluster by a Lanthanide Cluster.","Journal of the American Chemical Society","2014","136","40","14023","","10.1021/ja508880z","","","0.71073","MoKα","","0.0731","0.0397","","","0.0571","0.0628","","","","","","0.893","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122665","6.7753","0.0003","9.7463","0.0004","10.5571","0.0005","90","","93.5333","0.0006","90","","695.8","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 Br N O -","- C16 H16 Br N O -","- C32 H32 Br2 N2 O2 -","2","1","","Li, Ling; Zhao, Shibin; Joshi-Pangu, Amruta; Diane, Mohamed; Biscoe, Mark R.","Stereospecific Pd-Catalyzed Cross-Coupling Reactions of Secondary Alkylboron Nucleophiles and Aryl Chlorides.","Journal of the American Chemical Society","2014","136","40","14027","","10.1021/ja508815w","","","0.71073","MoKα","","0.0212","0.0209","","","0.0527","0.0529","","","","","","1.067","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122666","12.6369","0.0018","16.656","0.002","10.926","0.0017","90","","96.734","0.004","90","","2283.8","0.6","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N -","- C31 H29 N -","- C124 H116 N4 -","4","1","","Erdmann, Hannes; An, Feng; Mayer, Peter; Ofial, Armin R.; Lakhdar, Sami; Mayr, Herbert","Structures and Reactivities of 2-Trityl- and 2-(Triphenylsilyl)pyrrolidine-Derived Enamines: Evidence for Negative Hyperconjugation with the Trityl Group.","Journal of the American Chemical Society","2014","136","40","14263","","10.1021/ja508065e","","","0.71073","MoKα","","0.1235","0.0605","","","0.1448","0.1727","","","","","","1.078","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122667","9.8402","0.0004","8.4762","0.0004","28.5374","0.0012","90","","92.7937","0.0012","90","","2377.4","0.18","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 N Si -","- C30 H29 N Si -","- C120 H116 N4 Si4 -","4","1","","Erdmann, Hannes; An, Feng; Mayer, Peter; Ofial, Armin R.; Lakhdar, Sami; Mayr, Herbert","Structures and Reactivities of 2-Trityl- and 2-(Triphenylsilyl)pyrrolidine-Derived Enamines: Evidence for Negative Hyperconjugation with the Trityl Group.","Journal of the American Chemical Society","2014","136","40","14263","","10.1021/ja508065e","","","0.71073","MoKα","","0.0421","0.0348","","","0.0878","0.0926","","","","","","1.06","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122668","17.8165","0.0011","18.3144","0.0011","23.5832","0.0017","90","","90","","90","","7695.2","0.9","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C45 H44.35 B F4 N O2.18 Si -","- C45 H44 B F4 N O2.178 Si -","- C360 H352 B8 F32 N8 O17.424 Si8 -","8","2","","Erdmann, Hannes; An, Feng; Mayer, Peter; Ofial, Armin R.; Lakhdar, Sami; Mayr, Herbert","Structures and Reactivities of 2-Trityl- and 2-(Triphenylsilyl)pyrrolidine-Derived Enamines: Evidence for Negative Hyperconjugation with the Trityl Group.","Journal of the American Chemical Society","2014","136","40","14263","","10.1021/ja508065e","","","0.71073","MoKα","","0.0696","0.0459","","","0.1004","0.1105","","","","","","1.054","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122669","10.0798","0.0004","10.0798","0.0004","31.705","0.002","90","","90","","120","","2789.7","0.2","100","2","100","2","","","","","","","","6","P 31","P 31","144","","","","- C46 H44 B F4 N O2 -","- C46 H44 B F4 N O2 -","- C138 H132 B3 F12 N3 O6 -","3","1","","Erdmann, Hannes; An, Feng; Mayer, Peter; Ofial, Armin R.; Lakhdar, Sami; Mayr, Herbert","Structures and Reactivities of 2-Trityl- and 2-(Triphenylsilyl)pyrrolidine-Derived Enamines: Evidence for Negative Hyperconjugation with the Trityl Group.","Journal of the American Chemical Society","2014","136","40","14263","","10.1021/ja508065e","","","0.71073","MoKα","","0.0433","0.0375","","","0.0827","0.0851","","","","","","1.049","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122670","9.1164","0.0006","27.1275","0.0016","9.9782","0.0006","90","","100.629","0.002","90","","2425.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 B F4 N O2 -","- C27 H30 B F4 N O2 -","- C108 H120 B4 F16 N4 O8 -","4","1","","Erdmann, Hannes; An, Feng; Mayer, Peter; Ofial, Armin R.; Lakhdar, Sami; Mayr, Herbert","Structures and Reactivities of 2-Trityl- and 2-(Triphenylsilyl)pyrrolidine-Derived Enamines: Evidence for Negative Hyperconjugation with the Trityl Group.","Journal of the American Chemical Society","2014","136","40","14263","","10.1021/ja508065e","","","0.71073","MoKα","","0.0603","0.0452","","","0.1041","0.1123","","","","","","1.056","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122671","11.5861","0.0016","12.2589","0.0017","16.041","0.002","82.4668","0.0016","88.9589","0.0016","75.582","0.0015","2187.3","0.5","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- H68 K4 Na6 Ni4 O102 P2 W18 -","- H4 K4 Na6 Ni4 O102 P2 W18 -","- H4 K4 Na6 Ni4 O102 P2 W18 -","1","0.5","","Lv, Hongjin; Guo, Weiwei; Wu, Kaifeng; Chen, Zheyuan; Bacsa, John; Musaev, Djamaladdin G.; Geletii, Yurii V.; Lauinger, Sarah M.; Lian, Tianquan; Hill, Craig L.","A Noble-Metal-Free, Tetra-nickel Polyoxotungstate Catalyst for Efficient Photocatalytic Hydrogen Evolution.","Journal of the American Chemical Society","2014","136","40","14015","","10.1021/ja5084078","","","0.71073","MoKα","","0.0444","0.0362","","","0.0893","0.0938","","","","","","1.042","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122672","8.6328","0.0009","8.7993","0.0009","28.664","0.003","89.787","0.002","83.161","0.002","73.91","0.003","2076.2","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H38 N12 O11 -","- C45 H38 N12 O11 -","- C90 H76 N24 O22 -","2","1","","Zhao, Huaiqing; Sheng, Shen; Hong, Yunhan; Zeng, Huaqiang","Proton Gradient-Induced Water Transport Mediated by Water Wires Inside Narrow Aquapores of Aquafoldamer Molecules.","Journal of the American Chemical Society","2014","136","40","14270","","10.1021/ja5077537","","","0.71073","MoKα","","0.1051","0.0751","","","0.1436","0.1539","","","","","","1.156","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122673","13.137","0.0017","10.1694","0.0014","26.597","0.004","90","","98.7","0.003","90","","3512.4","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 N9 O9 -","- C40 H31 N9 O9 -","- C160 H124 N36 O36 -","4","1","","Zhao, Huaiqing; Sheng, Shen; Hong, Yunhan; Zeng, Huaqiang","Proton Gradient-Induced Water Transport Mediated by Water Wires Inside Narrow Aquapores of Aquafoldamer Molecules.","Journal of the American Chemical Society","2014","136","40","14270","","10.1021/ja5077537","","","0.71073","MoKα","","0.0869","0.0597","","","0.1425","0.1616","","","","","","1.088","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122674","7.4551","0.0008","14.761","0.0014","28.613","0.003","90","","93.752","0.002","90","","3142","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 N9 O8 -","- C33 H29 N9 O8 -","- C132 H116 N36 O32 -","4","1","","Zhao, Huaiqing; Sheng, Shen; Hong, Yunhan; Zeng, Huaqiang","Proton Gradient-Induced Water Transport Mediated by Water Wires Inside Narrow Aquapores of Aquafoldamer Molecules.","Journal of the American Chemical Society","2014","136","40","14270","","10.1021/ja5077537","","","0.71073","MoKα","","0.0746","0.0525","","","0.1345","0.1513","","","","","","1.063","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122675","13.4832","0.0014","10.4163","0.0012","13.7636","0.0016","90","","95.496","0.003","90","","1924.1","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H34 Cl2 N10 O9 -","- C39 H34 Cl2 N10 O9 -","- C78 H68 Cl4 N20 O18 -","2","1","","Zhao, Huaiqing; Sheng, Shen; Hong, Yunhan; Zeng, Huaqiang","Proton Gradient-Induced Water Transport Mediated by Water Wires Inside Narrow Aquapores of Aquafoldamer Molecules.","Journal of the American Chemical Society","2014","136","40","14270","","10.1021/ja5077537","","","0.71073","MoKα","","0.0941","0.067","","","0.1321","0.1458","","","","","","1.025","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122676","79.378","0.007","12.2996","0.001","31.089","0.003","90","","112.633","0.002","90","","28015","4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H22 Cl3 O4 P -","- C43 H22 Cl3 O4 P -","- C1376 H704 Cl96 O128 P32 -","32","4","","Yamamura, Masaki; Saito, Tsuyoshi; Nabeshima, Tatsuya","Phosphorus-Containing Chiral Molecule for Fullerene Recognition Based on Concave/Convex Interaction.","Journal of the American Chemical Society","2014","136","40","14299","","10.1021/ja507913u","","","0.71073","MoKα","","0.1447","0.0928","","","0.1934","0.2144","","","","","","1.122","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122677","31.285","0.006","31.285","0.006","16.399","0.004","90","","90","","90","","16051","6","120","2","120","2","","","","","","","","4","I 41","I 4bw","80","","","","- C228 H84 O16 P4 -","- C228 H84 O16 P4 -","- C912 H336 O64 P16 -","4","0.5","","Yamamura, Masaki; Saito, Tsuyoshi; Nabeshima, Tatsuya","Phosphorus-Containing Chiral Molecule for Fullerene Recognition Based on Concave/Convex Interaction.","Journal of the American Chemical Society","2014","136","40","14299","","10.1021/ja507913u","","","0.71073","MoKα","","0.073","0.0569","","","0.133","0.1399","","","","","","1.162","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122678","11.548","0.003","16.863","0.004","16.778","0.004","90","","100.312","0.003","90","","3214.5","1.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H21 O4 P -","- C42 H21 O4 P -","- C168 H84 O16 P4 -","4","2","","Yamamura, Masaki; Saito, Tsuyoshi; Nabeshima, Tatsuya","Phosphorus-Containing Chiral Molecule for Fullerene Recognition Based on Concave/Convex Interaction.","Journal of the American Chemical Society","2014","136","40","14299","","10.1021/ja507913u","","","0.71073","MoKα","","0.1149","0.0885","","","0.2383","0.2634","","","","","","1.013","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122679","7.8695","0.00017","11.6934","0.0003","12.1791","0.0003","102.214","0.002","105.141","0.002","99.416","0.002","1028.5","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 F6 N5 Pt Sb -","- C18 H20 F6 N5 Pt Sb -","- C36 H40 F12 N10 Pt2 Sb2 -","2","1","","Petersen, Allan R.; Taylor, Russell A.; Vicente-Hernández, Inmaculada; Mallender, Philip R.; Olley, Harriet; White, Andrew J. P.; Britovsek, George J. P.","Oxygen Insertion into Metal Carbon Bonds: Formation of Methylperoxo Pd(II) and Pt(II) Complexes via Photogenerated Dinuclear Intermediates.","Journal of the American Chemical Society","2014","136","40","14089","14099","10.1021/ja5055143","","","0.71073","MoKα","","0.0274","0.0223","","","0.0499","0.0517","","","","","","1.059","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122680","8.92385","0.00016","14.6411","0.0003","21.3047","0.0003","91.8823","0.0015","100.599","0.0014","104.132","0.0017","2644.42","0.09","173","","173","","","","","","","","","7","P 1","P 1","1","","","","- C26.7 H23.4 F6 N3 O0.9 Pt Sb -","- C26.7 H23.4 F6 N3 O0.9 Pt Sb -","- C106.8 H93.6 F24 N12 O3.6 Pt4 Sb4 -","4","4","","Petersen, Allan R.; Taylor, Russell A.; Vicente-Hernández, Inmaculada; Mallender, Philip R.; Olley, Harriet; White, Andrew J. P.; Britovsek, George J. P.","Oxygen Insertion into Metal Carbon Bonds: Formation of Methylperoxo Pd(II) and Pt(II) Complexes via Photogenerated Dinuclear Intermediates.","Journal of the American Chemical Society","2014","136","40","14089","14099","10.1021/ja5055143","","","0.71073","MoKα","","0.0427","0.0338","","","0.0854","0.0871","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122681","11.82761","0.00009","7.52718","0.00006","24.4124","0.0002","90","","93.9813","0.0008","90","","2168.16","0.03","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 F6 N5 Pt Sb -","- C20 H16 F6 N5 Pt Sb -","- C80 H64 F24 N20 Pt4 Sb4 -","4","1","","Petersen, Allan R.; Taylor, Russell A.; Vicente-Hernández, Inmaculada; Mallender, Philip R.; Olley, Harriet; White, Andrew J. P.; Britovsek, George J. P.","Oxygen Insertion into Metal Carbon Bonds: Formation of Methylperoxo Pd(II) and Pt(II) Complexes via Photogenerated Dinuclear Intermediates.","Journal of the American Chemical Society","2014","136","40","14089","14099","10.1021/ja5055143","","","1.54184","CuKα","","0.0285","0.0249","","","0.0609","0.0623","","","","","","1.105","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122682","15.156","0.003","11.359","0.003","21.942","0.004","90","","100.659","0.005","90","","3712.3","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 Cl N3 -","- C23 H18 Cl N3 -","- C184 H144 Cl8 N24 -","8","1","","Daw, Prosenjit; Petakamsetty, Ramu; Sarbajna, Abir; Laha, Siladitya; Ramapanicker, Ramesh; Bera, Jitendra K.","A Highly Efficient Catalyst for Selective Oxidative Scission of Olefins to Aldehydes: Abnormal-NHC-Ru(II) Complex in Oxidation Chemistry.","Journal of the American Chemical Society","2014","136","40","13987","","10.1021/ja5075294","","","0.71073","MoKα","","0.1102","0.0574","","","0.123","0.1494","","","","","","1.005","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122683","10.9052","0.0007","17.507","0.0011","15.5267","0.001","90","","94.072","0.001","90","","2956.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 Br2 Cl2 N3 Ru -","- C32 H31 Br2 Cl2 N3 Ru -","- C128 H124 Br8 Cl8 N12 Ru4 -","4","1","","Daw, Prosenjit; Petakamsetty, Ramu; Sarbajna, Abir; Laha, Siladitya; Ramapanicker, Ramesh; Bera, Jitendra K.","A Highly Efficient Catalyst for Selective Oxidative Scission of Olefins to Aldehydes: Abnormal-NHC-Ru(II) Complex in Oxidation Chemistry.","Journal of the American Chemical Society","2014","136","40","13987","","10.1021/ja5075294","","","0.71073","MoKα","","0.1191","0.0766","","","0.2119","0.2591","","","","","","1.081","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122684","14.465","0.002","15.922","0.001","35.52","0.003","90","","111.57","0.01","90","","7607.8","1.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H50 La N8 O19 Y -","- C65 H47 La N8 O19 Y -","- C260 H188 La4 N32 O76 Y4 -","4","1","","Aguilà, David; Barrios, Leoní A; Velasco, Verónica; Roubeau, Olivier; Repollés, Ana; Alonso, Pablo J.; Sesé, Javier; Teat, Simon J.; Luis, Fernando; Aromí, Guillem","Heterodimetallic [LnLn'] Lanthanide Complexes: Toward a Chemical Design of Two-Qubit Molecular Spin Quantum Gates.","Journal of the American Chemical Society","2014","136","40","14215","","10.1021/ja507809w","","","0.71073","MoKα","","0.1576","0.0853","","","0.1968","0.2334","","","","","","1","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122685","14.45","0.001","15.867","0.002","35.483","0.003","90","","110.535","0.007","90","","7618.5","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H57 Ce0.7 N10 O19 Y1.3 -","- C75 H54 Ce0.7 N10 O19 Y1.3 -","- C300 H216 Ce2.8 N40 O76 Y5.2 -","4","1","","Aguilà, David; Barrios, Leoní A; Velasco, Verónica; Roubeau, Olivier; Repollés, Ana; Alonso, Pablo J.; Sesé, Javier; Teat, Simon J.; Luis, Fernando; Aromí, Guillem","Heterodimetallic [LnLn'] Lanthanide Complexes: Toward a Chemical Design of Two-Qubit Molecular Spin Quantum Gates.","Journal of the American Chemical Society","2014","136","40","14215","","10.1021/ja507809w","","","0.71073","MoKα","","0.1739","0.0973","","","0.2243","0.2721","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122686","14.45","0.003","15.827","0.003","35.468","0.006","90","","112.707","0.006","90","","7483","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H60 Ce N10 O19 Y -","- C75 H60 Ce N10 O19 Y -","- C300 H240 Ce4 N40 O76 Y4 -","4","1","","Aguilà, David; Barrios, Leoní A; Velasco, Verónica; Roubeau, Olivier; Repollés, Ana; Alonso, Pablo J.; Sesé, Javier; Teat, Simon J.; Luis, Fernando; Aromí, Guillem","Heterodimetallic [LnLn'] Lanthanide Complexes: Toward a Chemical Design of Two-Qubit Molecular Spin Quantum Gates.","Journal of the American Chemical Society","2014","136","40","14215","","10.1021/ja507809w","","","0.7749","synchrotron","","0.0779","0.0583","","","0.1515","0.165","","","","","","1.041","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122687","14.5502","0.0003","15.8974","0.0003","35.5552","0.0009","90","","112.521","0.002","90","","7597.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H60 Ce Er N10 O19 -","- C75 H60 Ce Er N10 O19 -","- C300 H240 Ce4 Er4 N40 O76 -","4","1","","Aguilà, David; Barrios, Leoní A; Velasco, Verónica; Roubeau, Olivier; Repollés, Ana; Alonso, Pablo J.; Sesé, Javier; Teat, Simon J.; Luis, Fernando; Aromí, Guillem","Heterodimetallic [LnLn'] Lanthanide Complexes: Toward a Chemical Design of Two-Qubit Molecular Spin Quantum Gates.","Journal of the American Chemical Society","2014","136","40","14215","","10.1021/ja507809w","","","0.71073","MoKα","","0.117","0.0569","","","0.1101","0.1208","","","","","","0.921","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122688","14.5226","0.0011","15.8712","0.0011","35.345","0.002","90","","112.646","0.002","90","","7518.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77.5 H62.5 Er La N10.5 O19 -","- C77.5 H60.5 Er La N10.5 O19 -","- C310 H242 Er4 La4 N42 O76 -","4","1","","Aguilà, David; Barrios, Leoní A; Velasco, Verónica; Roubeau, Olivier; Repollés, Ana; Alonso, Pablo J.; Sesé, Javier; Teat, Simon J.; Luis, Fernando; Aromí, Guillem","Heterodimetallic [LnLn'] Lanthanide Complexes: Toward a Chemical Design of Two-Qubit Molecular Spin Quantum Gates.","Journal of the American Chemical Society","2014","136","40","14215","","10.1021/ja507809w","","","0.7749","synchrotron","","0.0932","0.0838","","","0.1959","0.2003","","","","","","1.185","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122689","13.7444","0.0001","11.4337","0.0001","20.4733","0.0002","90","","94.8","0.001","90","","3206.08","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 N4 Si -","- C34 H46 N4 Si -","- C136 H184 N16 Si4 -","4","1","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","An Amplified Ylidic ""Half-Parent"" Iminosilane LSi═NH.","Journal of the American Chemical Society","2014","136","40","14207","","10.1021/ja507785z","","","1.54184","CuKα","","0.0559","0.0526","","","0.1442","0.1488","","","","","","1.044","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122690","20.2447","0.0002","13.0816","0.0001","23.9262","0.0003","90","","112.898","0.001","90","","5837.13","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 Br N3 Si -","- C29 H42 Br N3 Si -","- C232 H336 Br8 N24 Si8 -","8","2","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","An Amplified Ylidic ""Half-Parent"" Iminosilane LSi═NH.","Journal of the American Chemical Society","2014","136","40","14207","","10.1021/ja507785z","","","1.54184","CuKα","","0.0428","0.0395","","","0.0989","0.1011","","","","","","1.1","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122691","9.0265","0.0002","19.804","0.0004","10.3399","0.0003","90","","114.806","0.003","90","","1677.83","0.08","150","2","150","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C32 H50 N6 Si2 -","- C32 H50 N6 Si2 -","- C64 H100 N12 Si4 -","2","0.5","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","An Amplified Ylidic ""Half-Parent"" Iminosilane LSi═NH.","Journal of the American Chemical Society","2014","136","40","14207","","10.1021/ja507785z","","x-ray","1.54184","CuKα","","0.0759","0.0722","","","0.1848","0.1878","","","","","","1.034","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122692","16.1243","0.0002","12.8303","0.0002","13.7672","0.0002","90","","96.057","0.001","90","","2832.25","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 N4 Si -","- C29 H44 N4 Si -","- C116 H176 N16 Si4 -","4","1","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","An Amplified Ylidic ""Half-Parent"" Iminosilane LSi═NH.","Journal of the American Chemical Society","2014","136","40","14207","","10.1021/ja507785z","","","1.54184","CuKα","","0.0459","0.0372","","","0.0912","0.0978","","","","","","1.025","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122693","21.7599","0.0004","14.356","0.0002","21.8626","0.0004","90","","90","","90","","6829.6","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H51 N5 Si -","- C36 H51 N5 Si -","- C288 H408 N40 Si8 -","8","1","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","An Amplified Ylidic ""Half-Parent"" Iminosilane LSi═NH.","Journal of the American Chemical Society","2014","136","40","14207","","10.1021/ja507785z","","","1.54184","CuKα","","0.0673","0.0468","","","0.1099","0.1235","","","","","","1.028","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122694","11.9124","0.0005","13.7376","0.0005","18.3154","0.0007","87.411","0.003","80.195","0.003","74.748","0.004","2849.5","0.2","150","2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H82 Br2 Li2 N6 Si2 -","- C58 H82 Br2 Li2 N6 Si2 -","- C116 H164 Br4 Li4 N12 Si4 -","2","1","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","An Amplified Ylidic ""Half-Parent"" Iminosilane LSi═NH.","Journal of the American Chemical Society","2014","136","40","14207","","10.1021/ja507785z","","x-ray","1.54184","CuKα","","0.0889","0.0748","","","0.1814","0.1961","","","","","","1.127","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122695","9.149","0.005","12.298","0.005","19.169","0.005","74.475","0.005","89.769","0.005","80.187","0.005","2045.7","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H30 N O7 Si -","- C43 H65 N O7 Si -","- C86 H130 N2 O14 Si2 -","2","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","1.5418","CuKα","","0.0755","0.0497","","","0.1361","0.1815","","","","","","1.039","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122696","11.236","0.003","9.694","0.002","30.536","0.007","90","","99.891","0.007","90","","3276.6","1.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 Br Cl7 N3 O3 -","- C25 H35 Br Cl7 N3 O3 -","- C100 H140 Br4 Cl28 N12 O12 -","4","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71075","MoKα","","0.1792","0.1211","","","0.2551","0.2879","","","","","","1.423","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122697","9.951","0.003","10.858","0.004","12.328","0.003","114.423","0.009","90.61","0.008","101.279","0.007","1183.1","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C23.5 H33 Br Cl N3 O3 -","- C23 H32 Br N3 O3 -","- C46 H64 Br2 N6 O6 -","2","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71075","MoKα","","0.059","0.0479","","","0.1218","0.127","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122698","7.4902","0.0009","10.5726","0.0013","21.85","0.002","90","","90","","90","","1730.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N O5 -","- C18 H27 N O5 -","- C72 H108 N4 O20 -","4","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71074","MoKα","","0.0351","0.033","","","0.0831","0.0843","","","","","","1.04","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122699","7.6223","0.0009","17.3371","0.0015","23.506","0.003","90","","95.126","0.002","90","","3093.9","0.6","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 Br Cl6 N3 O4 -","- C25 H32 Br Cl6 N3 O4 -","- C100 H128 Br4 Cl24 N12 O16 -","4","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71075","MoKα","","0.0609","0.0455","","","0.1037","0.1154","","","","","","1.02","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122700","8.344","0.002","14.187","0.003","15.306","0.003","90","","105.013","0.011","90","","1750","0.7","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H42 Br Cl6 N3 O5 -","- C26 H38 Br Cl2 N3 O5 -","- C52 H76 Br2 Cl4 N6 O10 -","2","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71075","MoKα","","0.1025","0.0806","","","0.2094","0.2225","","","","","","1.042","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122701","14.7885","0.0018","15.481","0.002","14.806","0.002","90","","98.104","0.011","90","","3355.8","0.8","153","2","153","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C35 H52 N4 O4 -","- C35 H52 N4 O4 -","- C140 H208 N16 O16 -","4","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71075","MoKα","","0.0462","0.0428","","","0.1099","0.1123","","","","","","1.07","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122702","6.1992","0.0004","12.3171","0.0009","30.606","0.0015","90","","90","","90","","2337","0.3","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H33 Cl3 N2 O5 -","- C20 H33 Cl3 N2 O5 -","- C80 H132 Cl12 N8 O20 -","4","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71074","MoKα","","0.049","0.0386","","","0.094","0.1023","","","","","","0.968","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122703","8.9767","0.0003","9.9161","0.0003","27.7083","0.0019","90","","90","","90","","2466.4","0.2","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C112 H136 N8 O16 -","8","1","","Romney, David K.; Colvin, Sean M.; Miller, Scott J.","Catalyst Control over Regio- and Enantioselectivity in Baeyer-Villiger Oxidations of Functionalized Ketones.","Journal of the American Chemical Society","2014","136","40","14019","","10.1021/ja508757g","","","1.54187","CuKα","","0.1079","0.0549","","","0.1313","0.154","","","","","","0.924","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122704","18.553","0.0007","50.228","0.004","5.1431","0.0002","90","","90","","90","","4792.8","0.5","93","2","93","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C224 H272 N16 O32 -","16","1","","Romney, David K.; Colvin, Sean M.; Miller, Scott J.","Catalyst Control over Regio- and Enantioselectivity in Baeyer-Villiger Oxidations of Functionalized Ketones.","Journal of the American Chemical Society","2014","136","40","14019","","10.1021/ja508757g","","","1.54187","CuKα","","0.107","0.0733","","","0.187","0.2213","","","","","","1.157","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122705","16.0042","0.0015","9.8362","0.0008","22.3583","0.0019","90","","100.198","0.002","90","","3464.1","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H60 N2 -","- C38 H60 N2 -","- C152 H240 N8 -","4","1","","Olankitwanit, Arnon; Pink, Maren; Rajca, Suchada; Rajca, Andrzej","Synthesis of Aza-m-Xylylene Diradicals with Large Singlet-Triplet Energy Gap and Statistical Analyses of Their EPR Spectra.","Journal of the American Chemical Society","2014","136","40","14277","","10.1021/ja508119d","","","0.41328","synchrotron","","0.147","0.069","","","0.134","0.1627","","","","","","0.991","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122706","6.9085","0.0009","10.0392","0.0012","21.009","0.003","90","","93.407","0.002","90","","1454.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","1","","Olankitwanit, Arnon; Pink, Maren; Rajca, Suchada; Rajca, Andrzej","Synthesis of Aza-m-Xylylene Diradicals with Large Singlet-Triplet Energy Gap and Statistical Analyses of Their EPR Spectra.","Journal of the American Chemical Society","2014","136","40","14277","","10.1021/ja508119d","","","0.41328","synchrotron","","0.0664","0.0512","","","0.154","0.1645","","","","","","1.066","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122707","31.3443","0.001","32.3864","0.0011","92.098","0.003","90","","90","","90","","93491","5","150","2","150","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- Ce7 H434 K Mo100 O518 -","- Ce7 K Mo100 O477.6 -","- Ce56 K8 Mo800 O3820.8 -","8","0.5","","Xuan, Weimin; Surman, Andrew J.; Miras, Haralampos N.; Long, De-Liang; Cronin, Leroy","Controlling the Ring Curvature, Solution Assembly, and Reactivity of Gigantic Molybdenum Blue Wheels.","Journal of the American Chemical Society","2014","136","40","14114","","10.1021/ja5062483","","","0.71073","MoKα","","0.084","0.058","","","0.147","0.19","","","","","","1.182","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122708","27.0684","0.0014","28.3041","0.0014","35.7553","0.0018","92.786","0.003","110.338","0.002","91.695","0.003","25624","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- Ce14 H1104 K2 Mo200 O1154 -","- Ce14 K Mo200 O968.7 -","- Ce14 K Mo200 O968.7 -","1","0.5","","Xuan, Weimin; Surman, Andrew J.; Miras, Haralampos N.; Long, De-Liang; Cronin, Leroy","Controlling the Ring Curvature, Solution Assembly, and Reactivity of Gigantic Molybdenum Blue Wheels.","Journal of the American Chemical Society","2014","136","40","14114","","10.1021/ja5062483","","","0.71073","MoKα","","0.0834","0.0556","","","0.1474","0.1793","","","","","","1.104","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122709","10.272","0.002","10.655","0.002","17.385","0.004","92.947","0.006","101.171","0.006","117.538","0.005","1633.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H38 F4 N2 O3 Ru -","- C37 H38 F4 N2 O3 Ru -","- C74 H76 F8 N4 O6 Ru2 -","2","1","","Khan, R Kashif M; Torker, Sebastian; Hoveyda, Amir H.","Reactivity and Selectivity Differences between Catecholate and Catechothiolate Ru Complexes. Implications Regarding Design of Stereoselective Olefin Metathesis Catalysts.","Journal of the American Chemical Society","2014","136","41","14337","","10.1021/ja505961z","","","1.54178","CuKα","","0.0209","0.0208","","","0.0508","0.0509","","","","","","1.053","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122710","15.5758","0.0008","15.505","0.0008","15.5858","0.0008","90","","98.722","0.003","90","","3720.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H47 N3 O2 Ru -","- C45 H47 N3 O2 Ru -","- C180 H188 N12 O8 Ru4 -","4","1","","Khan, R Kashif M; Torker, Sebastian; Hoveyda, Amir H.","Reactivity and Selectivity Differences between Catecholate and Catechothiolate Ru Complexes. Implications Regarding Design of Stereoselective Olefin Metathesis Catalysts.","Journal of the American Chemical Society","2014","136","41","14337","","10.1021/ja505961z","","","0.71073","MoKα","","0.0859","0.043","","","0.0766","0.0891","","","","","","1.008","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122711","20.0944","0.0014","20.0944","0.0014","20.0944","0.0014","90","","90","","90","","8113.8","1","173","2","173","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C2 H N O1.17 Zn0.67 -","- C2 H N O1.16667 Zn0.666667 -","- C96 H48 N48 O56 Zn32 -","48","1","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","0.71073","MoKα","","0.0748","0.0552","","","0.1627","0.1703","","","","","","1.077","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122712","20.0872","0.0019","20.0872","0.0019","20.0872","0.0019","90","","90","","90","","8105.1","1.3","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C48 H24 N24 O68 Zn24 -","- C48 H24 N24 O68 Zn24 -","- C48 H24 N24 O68 Zn24 -","1","0.0833333","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","0.71073","MoKα","","0.1252","0.1109","","","0.2419","0.2484","","","","","","1.188","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122713","20.1619","0.0003","20.1619","0.0003","20.1619","0.0003","90","","90","","90","","8195.9","0.2","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C24 H12 N12 O14 Zn8 -","- C24 H12 N12 O14 Zn8 -","- C96 H48 N48 O56 Zn32 -","4","0.333333","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.1428","0.1245","","","0.2471","0.2548","","","","","","1.166","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122714","20.131","0.0004","20.131","0.0004","20.131","0.0004","90","","90","","90","","8158.2","0.3","203","2","203","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C24 H12 Co2 N12 O14 Zn6 -","- C24 H12 Co2 N12 O14 Zn6 -","- C96 H48 Co8 N48 O56 Zn24 -","4","0.333333","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.1206","0.0885","","","0.1769","0.1938","","","","","","1.066","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122715","20.1616","0.0002","20.1616","0.0002","20.1616","0.0002","90","","90","","90","","8195.49","0.14","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C24 H12 N12 O14 Zn8 -","- C24 H12 N12 O14 Zn8 -","- C96 H48 N48 O56 Zn32 -","4","0.333333","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.1417","0.1223","","","0.2619","0.2732","","","","","","1.061","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122716","20.1405","0.0001","20.1405","0.0001","20.1405","0.0001","90","","90","","90","","8169.79","0.07","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C96 H48 N48 O56 Zn32 -","- C96 H48 N48 O56 Zn32 -","- C96 H48 N48 O56 Zn32 -","1","0.0833333","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.1403","0.1256","","","0.267","0.2745","","","","","","1.104","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122717","20.1448","0.0001","20.1448","0.0001","20.1448","0.0001","90","","90","","90","","8175.02","0.07","173","2","173","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C2 H N O1.17 Zn0.67 -","- C2 H N O1.16667 Zn0.666667 -","- C96 H48 N48 O56 Zn32 -","48","1","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.0787","0.0748","","","0.1855","0.1873","","","","","","1.183","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122718","20.1107","0.0001","20.1107","0.0001","20.1107","0.0001","90","","90","","90","","8133.58","0.07","173","2","173","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C2 H N O1.17 Zn0.67 -","- C2 H N O1.16667 Zn0.666667 -","- C96 H48 N48 O56 Zn32 -","48","1","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.0847","0.0766","","","0.2041","0.2094","","","","","","1.166","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122719","20.1232","0.0001","20.1232","0.0001","20.1232","0.0001","90","","90","","90","","8148.75","0.07","173","2","173","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C2 H N O1.17 Zn0.67 -","- C2 H N O1.16667 Zn0.666667 -","- C96 H48 N48 O56 Zn32 -","48","1","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.0863","0.0769","","","0.1937","0.1995","","","","","","1.178","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122720","20.1198","0.0005","20.1198","0.0005","20.1198","0.0005","90","","90","","90","","8144.6","0.4","173","2","173","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C2 H N O1.17 Zn0.67 -","- C2 H N O1.16667 Zn0.666667 -","- C96 H48 N48 O56 Zn32 -","48","1","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.0569","0.0468","","","0.1312","0.1358","","","","","","1.002","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122721","16.158","0.003","15.794","0.003","16.302","0.003","90","","103.762","0.004","90","","4040.8","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48.34 H33 Cl4.02 D1.34 N O4 -","- C48.338 H33 Cl4.014 D1.338 N O4 -","- C193.352 H132 Cl16.056 D5.352 N4 O16 -","4","1","","Hwang, Jungwun; Li, Ping; Carroll, William R.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Additivity of Substituent Effects in Aromatic Stacking Interactions.","Journal of the American Chemical Society","2014","136","40","14060","","10.1021/ja504378p","","","0.71073","MoKα","","0.118","0.0658","","","0.1564","0.1795","","","","","","0.979","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122722","9.6849","0.0009","11.8004","0.0011","16.09","0.0015","80.08","0.002","80.09","0.002","80.508","0.002","1766.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H30 Cl N O4 -","- C46 H30 Cl N O4 -","- C92 H60 Cl2 N2 O8 -","2","1","","Hwang, Jungwun; Li, Ping; Carroll, William R.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Additivity of Substituent Effects in Aromatic Stacking Interactions.","Journal of the American Chemical Society","2014","136","40","14060","","10.1021/ja504378p","","","0.71073","MoKα","","0.0689","0.0479","","","0.1148","0.1246","","","","","","1","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122723","23.4123","0.0004","9.0701","0.0002","18.5703","0.0003","90","","118.601","0.001","90","","3462.24","0.12","173","2","172.99","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H23 B O6 -","- C16 H23 B O6 -","- C128 H184 B8 O48 -","8","1","","Ghaffari, Behnaz; Preshlock, Sean M.; Plattner, Donald L.; Staples, Richard J.; Maligres, Peter E.; Krska, Shane W.; Maleczka, Jr, Robert E; Smith, 3rd, Milton R","Silyl Phosphorus and Nitrogen Donor Chelates for Homogeneous Ortho Borylation Catalysis.","Journal of the American Chemical Society","2014","136","41","14345","","10.1021/ja506229s","","","1.54178","CuKα","","0.0701","0.0663","","","0.1903","0.1943","","","","","","1.075","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122724","9.9128","0.0011","10.2416","0.0011","16.4821","0.0018","77.315","0.001","86.765","0.001","69.119","0.001","1524.8","0.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 Ir P Si -","- C34 H44 Ir P Si -","- C68 H88 Ir2 P2 Si2 -","2","1","","Ghaffari, Behnaz; Preshlock, Sean M.; Plattner, Donald L.; Staples, Richard J.; Maligres, Peter E.; Krska, Shane W.; Maleczka, Jr, Robert E; Smith, 3rd, Milton R","Silyl Phosphorus and Nitrogen Donor Chelates for Homogeneous Ortho Borylation Catalysis.","Journal of the American Chemical Society","2014","136","41","14345","","10.1021/ja506229s","","","0.71073","MoKα","","0.0519","0.0395","","","0.0819","0.0884","","","","","","1.06","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122725","25.2024","0.0004","13.7121","0.0002","25.3895","0.0004","90","","116.212","0.0004","90","","7871.8","0.2","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H51 Cl Ge N2 O3 W -","- C40 H51 Cl Ge N2 O3 W -","- C320 H408 Cl8 Ge8 N16 O24 W8 -","8","2","","Inomata, Koya; Watanabe, Takahito; Tobita, Hiromi","Cationic Metallogermylene and Dicationic Dimetallodigermenes: Synthesis by Chloride Abstraction from N-Heterocyclic Carbene-Stabilized Chlorometallogermylenes.","Journal of the American Chemical Society","2014","136","41","14341","","10.1021/ja506018f","","","0.71073","MoKα","","0.0601","0.0516","","","0.1322","0.1404","","","","","","1.12","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122726","16.7596","0.0005","9.4706","0.0003","17.3328","0.0005","90","","95.1602","0.001","90","","2739.97","0.14","140","2","140","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C24 H35 Cl Ge N2 O3 W -","- C24 H35 Cl Ge N2 O3 W -","- C96 H140 Cl4 Ge4 N8 O12 W4 -","4","1","","Inomata, Koya; Watanabe, Takahito; Tobita, Hiromi","Cationic Metallogermylene and Dicationic Dimetallodigermenes: Synthesis by Chloride Abstraction from N-Heterocyclic Carbene-Stabilized Chlorometallogermylenes.","Journal of the American Chemical Society","2014","136","41","14341","","10.1021/ja506018f","","","0.71073","MoKα","","0.068","0.0544","","","0.1272","0.1358","","","","","","1.197","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122727","15.1009","0.0011","8.6137","0.0006","18.7415","0.0013","90","","110.979","0.0014","90","","2276.2","0.3","140","2","140","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C20 H27 Cl Ge N2 O3 W -","- C20 H27 Cl Ge N2 O3 W -","- C80 H108 Cl4 Ge4 N8 O12 W4 -","4","1","","Inomata, Koya; Watanabe, Takahito; Tobita, Hiromi","Cationic Metallogermylene and Dicationic Dimetallodigermenes: Synthesis by Chloride Abstraction from N-Heterocyclic Carbene-Stabilized Chlorometallogermylenes.","Journal of the American Chemical Society","2014","136","41","14341","","10.1021/ja506018f","","","0.71073","MoKα","","0.0795","0.0668","","","0.1564","0.1633","","","","","","1.133","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122728","14.9419","0.0006","18.725","0.0006","26.8623","0.0009","97.183","0.0012","92.0485","0.001","101.438","0.0009","7294.5","0.4","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H63 B F24 Ge N2 O3 W -","- C72 H63 B F24 Ge N2 O3 W -","- C288 H252 B4 F96 Ge4 N8 O12 W4 -","4","2","","Inomata, Koya; Watanabe, Takahito; Tobita, Hiromi","Cationic Metallogermylene and Dicationic Dimetallodigermenes: Synthesis by Chloride Abstraction from N-Heterocyclic Carbene-Stabilized Chlorometallogermylenes.","Journal of the American Chemical Society","2014","136","41","14341","","10.1021/ja506018f","","","0.71073","MoKα","","0.1142","0.0823","","","0.1989","0.2195","","","","","","1.087","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122729","12.8703","0.0004","19.4136","0.0005","27.6906","0.001","94.436","0.0011","94.1879","0.001","98.6647","0.0009","6794.1","0.4","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C130 H109 B2 F51 Ge2 N4 O6 W2 -","- C130 H104 B2 F50 Ge2 N4 O6 W2 -","- C260 H208 B4 F100 Ge4 N8 O12 W4 -","2","1","","Inomata, Koya; Watanabe, Takahito; Tobita, Hiromi","Cationic Metallogermylene and Dicationic Dimetallodigermenes: Synthesis by Chloride Abstraction from N-Heterocyclic Carbene-Stabilized Chlorometallogermylenes.","Journal of the American Chemical Society","2014","136","41","14341","","10.1021/ja506018f","","","0.71073","MoKα","","0.1089","0.0776","","","0.181","0.1982","","","","","","1.086","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122730","12.7478","0.0012","14.3085","0.001","16.6663","0.0012","111.179","0.003","99.6","0.004","93.475","0.003","2770.7","0.4","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C104 H78 B2 F48 Ge2 N4 O6 W2 -","- C104 H78 B2 F48 Ge2 N4 O6 W2 -","- C104 H78 B2 F48 Ge2 N4 O6 W2 -","1","0.5","","Inomata, Koya; Watanabe, Takahito; Tobita, Hiromi","Cationic Metallogermylene and Dicationic Dimetallodigermenes: Synthesis by Chloride Abstraction from N-Heterocyclic Carbene-Stabilized Chlorometallogermylenes.","Journal of the American Chemical Society","2014","136","41","14341","","10.1021/ja506018f","","","0.71073","MoKα","","0.1062","0.0842","","","0.2026","0.2149","","","","","","1.199","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122731","22.7502","0.0009","22.7502","0.0009","22.7502","0.0009","90","","90","","90","","11774.9","0.8","100","2","100","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C168 H144 Fe4 N48 O16 S4 -","- C168 H144 Fe4 N48 -","- C336 H288 Fe8 N96 -","2","0.0833333","","Bolliger, Jeanne L.; Ronson, Tanya K.; Ogawa, Masahiro; Nitschke, Jonathan R.","Solvent Effects upon Guest Binding and Dynamics of a Fe(II)4L4 Cage.","Journal of the American Chemical Society","2014","136","41","14545","","10.1021/ja5077102","","","0.71073","MoKα","","0.0971","0.0802","","","0.213","0.2288","","","","","","1.047","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122732","10.5376","0.0004","11.9462","0.0005","12.0486","0.0005","93.522","0.002","113.425","0.002","94.009","0.002","1381.71","0.1","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","Complex 1","","","- C23 H39 Cl Ir N O5 P -","- C23 H39 Cl Ir N O5 P -","- C46 H78 Cl2 Ir2 N2 O10 P2 -","2","1","","Kita, Matthew R.; Miller, Alexander J. M.","Cation-Modulated Reactivity of Iridium Hydride Pincer-Crown Ether Complexes.","Journal of the American Chemical Society","2014","136","41","14519","","10.1021/ja507324s","","","1.54178","CuKα","","0.038","0.0344","","","0.083","0.0858","","","","","","1.077","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122733","35.8564","0.0005","12.8798","0.0002","26.6812","0.0003","90","","98.0262","0.0006","90","","12201.3","0.3","100.15","","100.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Complex 2","block","","- C55 H51 B F24 Ir N O5 P -","- C55 H51 B F24 Ir N O5 P -","- C440 H408 B8 F192 Ir8 N8 O40 P8 -","8","1","","Kita, Matthew R.; Miller, Alexander J. M.","Cation-Modulated Reactivity of Iridium Hydride Pincer-Crown Ether Complexes.","Journal of the American Chemical Society","2014","136","41","14519","","10.1021/ja507324s","","","1.54178","CuKα","","0.0325","0.0287","","","0.0728","0.0746","","","","","","1.054","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122734","31.574","0.004","17.923","0.002","32.134","0.006","90","","119.365","0.003","90","","15848","4","100","2","100","2","","","","","","","","10","I 1 2/a 1","-I 2ya","15","","","","- C74 H71 Ag Ca Cl3.5 F3 Mn3 N10 O14.5 S -","- C74 H71 Ag Ca Cl3.5 F3 Mn3 N10 O14.5 S -","- C592 H568 Ag8 Ca8 Cl28 F24 Mn24 N80 O116 S8 -","8","1","","Kanady, Jacob S.; Lin, Po-Heng; Carsch, Kurtis M.; Nielsen, Robert J.; Takase, Michael K.; Goddard, 3rd, William A; Agapie, Theodor","Toward Models for the Full Oxygen-Evolving Complex of Photosystem II by Ligand Coordination To Lower the Symmetry of the Mn3CaO4 Cubane: Demonstration That Electronic Effects Facilitate Binding of a Fifth Metal.","Journal of the American Chemical Society","2014","136","41","14373","","10.1021/ja508160x","","","0.71073","MoKα","","0.2258","0.1667","","","0.4213","0.4924","","","","","","2.111","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122735","13.9463","0.0015","16.9456","0.0018","21.456","0.002","101.26","0.003","102.405","0.003","102.535","0.003","4676.1","0.8","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C93.91 H91.19 Ca F3 Mn3 N10 O15.55 S -","- C93.91 H89.186 Ca F3 Mn3 N10 O15.546 S -","- C187.82 H178.372 Ca2 F6 Mn6 N20 O31.092 S2 -","2","1","","Kanady, Jacob S.; Lin, Po-Heng; Carsch, Kurtis M.; Nielsen, Robert J.; Takase, Michael K.; Goddard, 3rd, William A; Agapie, Theodor","Toward Models for the Full Oxygen-Evolving Complex of Photosystem II by Ligand Coordination To Lower the Symmetry of the Mn3CaO4 Cubane: Demonstration That Electronic Effects Facilitate Binding of a Fifth Metal.","Journal of the American Chemical Society","2014","136","41","14373","","10.1021/ja508160x","","","0.71073","MoKα","","0.1404","0.076","","","0.1878","0.2244","","","","","","1.044","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122736","14.8835","0.001","16.1532","0.0011","16.7758","0.0011","88.985","0.003","89.785","0.003","69.483","0.003","3776.7","0.4","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C77 H81 F3 Gd Mn3 N11 O17 S -","- C77 H79 F3 Gd Mn3 N11 O17 S -","- C154 H158 F6 Gd2 Mn6 N22 O34 S2 -","2","1","","Kanady, Jacob S.; Lin, Po-Heng; Carsch, Kurtis M.; Nielsen, Robert J.; Takase, Michael K.; Goddard, 3rd, William A; Agapie, Theodor","Toward Models for the Full Oxygen-Evolving Complex of Photosystem II by Ligand Coordination To Lower the Symmetry of the Mn3CaO4 Cubane: Demonstration That Electronic Effects Facilitate Binding of a Fifth Metal.","Journal of the American Chemical Society","2014","136","41","14373","","10.1021/ja508160x","","","0.71073","MoKα","","0.1131","0.065","","","0.1574","0.1808","","","","","","1.037","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122737","12.0962","0.0005","9.3752","0.0004","20.3554","0.0009","90","","91.582","0.002","90","","2307.51","0.17","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl N4 O6 Re -","- C20 H22 Cl N4 O6 Re -","- C80 H88 Cl4 N16 O24 Re4 -","4","1","","Machan, Charles W.; Chabolla, Steven A.; Yin, Jian; Gilson, Michael K.; Tezcan, F. Akif; Kubiak, Clifford P.","Supramolecular Assembly Promotes the Electrocatalytic Reduction of Carbon Dioxide by Re(I) Bipyridine Catalysts at a Lower Overpotential.","Journal of the American Chemical Society","2014","136","41","14598","","10.1021/ja5085282","","","0.71073","MoKα","","0.0346","0.0257","","","0.0781","0.0893","","","","","","0.712","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122738","24.7255","0.0018","24.7255","0.0018","20.3293","0.0011","90","","90","","120","","10763.2","1.3","110","2","110","2","","","","","","","","8","P 63/m","-P 6c","176","","di(tris(isonicotinoyl)-cyclotriguaiacylene} tri[1,1'-methylenebis(3-(naphthalen-2-ylmethyl)- imidazol-2-ylidene)]tripalladium(II) tetrafluoroborate iodine clathrate","","- C171 H138 B6 F24 I2 N18 O18 Pd3 -","- C171 H138 B6.01 F24.04 I2.01 N18 O18 Pd3 -","- C342 H276 B12.02 F48.08 I4.02 N36 O36 Pd6 -","2","0.166667","","Henkelis, James J.; Carruthers, Christopher J.; Chambers, Scott E.; Clowes, Rob; Cooper, Andrew I.; Fisher, Julie; Hardie, Michaele J.","Metallo-cryptophanes decorated with bis-N-heterocyclic carbene ligands: self-assembly and guest uptake into a nonporous crystalline lattice.","Journal of the American Chemical Society","2014","136","41","14393","14396","10.1021/ja508502u","","","1.54184","CuKα","","0.1598","0.1292","","","0.367","0.3991","","","","","","1.687","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122739","25.21","0.0012","25.21","0.0012","20.5293","0.0007","90","","90","","120","","11299.3","0.9","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","di(tris(2-methyl-isonicotinoyl)-cyclotriguaiacylene} tri[1,1'-methylenebis(3-(naphthalen-2-ylmethyl)- imidazol-2-ylidene)]tripalladium(II) tetrafluoroborate","","- C185 H174 B6 F24 N26 O34 Pd3 -","- C177 H150 B6.01 F24.01 N18 O18 Pd3 -","- C354 H300 B12.02 F48.02 N36 O36 Pd6 -","2","0.166667","","Henkelis, James J.; Carruthers, Christopher J.; Chambers, Scott E.; Clowes, Rob; Cooper, Andrew I.; Fisher, Julie; Hardie, Michaele J.","Metallo-cryptophanes decorated with bis-N-heterocyclic carbene ligands: self-assembly and guest uptake into a nonporous crystalline lattice.","Journal of the American Chemical Society","2014","136","41","14393","14396","10.1021/ja508502u","","","0.6889","synchrotron","","0.1835","0.1417","","","0.3436","0.3647","","","","","","1.927","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122740","24.736","0.0008","24.736","0.0008","20.0595","0.0007","90","","90","","120","","10629.4","0.6","100","2","100","2","","","","","","","","8","P 63/m","-P 6c","176","","di(tris(isonicotinoyl)-tris(propyl)-cyclotricatechylene} tri[1,1'-methylenebis(3-(naphthalen-2-ylmethyl)- imidazol-2-ylidene)]tripalladium(II) tetrafluoroborate 1,2-dichlorobenzene nitromethane clathrate","","- C206 H189 B6 Cl6 F24 N23 O28 Pd3 -","- C201.99 H177.06 B6.01 Cl6 F24.04 N19 O20.01 Pd3 -","- C403.98 H354.12 B12.02 Cl12 F48.08 N38 O40.02 Pd6 -","2","0.166667","","Henkelis, James J.; Carruthers, Christopher J.; Chambers, Scott E.; Clowes, Rob; Cooper, Andrew I.; Fisher, Julie; Hardie, Michaele J.","Metallo-cryptophanes decorated with bis-N-heterocyclic carbene ligands: self-assembly and guest uptake into a nonporous crystalline lattice.","Journal of the American Chemical Society","2014","136","41","14393","14396","10.1021/ja508502u","","","0.6889","synchrotron","","0.1348","0.1233","","","0.3418","0.3488","","","","","","2.594","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122741","24.6118","0.0019","24.6118","0.0019","20.272","0.003","90","","90","","120","","10634","2","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","di(tris(isonicotinoyl)-tris(propyl)-cyclotricatechylene} tri[1,1'-methylenebis(3-(naphthalen-2-ylmethyl)- imidazol-2-ylidene)]tripalladium(II) tetrafluoroborate nitromethane clathrate","","- C191 H186 B6 F24 N26 O34 Pd3 -","- C186.99 H174.03 B6.01 F24.04 N22 O26.01 Pd3 -","- C373.98 H348.06 B12.02 F48.08 N44 O52.02 Pd6 -","2","0.166667","","Henkelis, James J.; Carruthers, Christopher J.; Chambers, Scott E.; Clowes, Rob; Cooper, Andrew I.; Fisher, Julie; Hardie, Michaele J.","Metallo-cryptophanes decorated with bis-N-heterocyclic carbene ligands: self-assembly and guest uptake into a nonporous crystalline lattice.","Journal of the American Chemical Society","2014","136","41","14393","14396","10.1021/ja508502u","","","1.54184","CuKα","","0.1162","0.096","","","0.2723","0.2935","","","","","","1.186","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122742","12.2792","0.0003","14.3456","0.0004","20.8758","0.0006","90","","96.321","0.001","90","","3654.97","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(acetonitrile)[1,1'-methylenebis(3-(naphthalen-2-ylmethyl)- imidazol-2-ylidene)]palladium(II) tetrafluoroborate acetonitrile","","- C35 H33 B2 F8 N7 Pd -","- C35 H33 B2 F8 N7 Pd -","- C140 H132 B8 F32 N28 Pd4 -","4","1","","Henkelis, James J.; Carruthers, Christopher J.; Chambers, Scott E.; Clowes, Rob; Cooper, Andrew I.; Fisher, Julie; Hardie, Michaele J.","Metallo-cryptophanes decorated with bis-N-heterocyclic carbene ligands: self-assembly and guest uptake into a nonporous crystalline lattice.","Journal of the American Chemical Society","2014","136","41","14393","14396","10.1021/ja508502u","","","0.71073","MoKα","","0.0922","0.0661","","","0.1715","0.1914","","","","","","1.034","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122743","24.6185","0.0014","24.6185","0.0014","20.3337","0.0012","90","","90","","120","","10672.6","1.1","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","di(tris(isonicotinoyl)-cyclotriguaiacylene} tri[1,1'-methylenebis(3-(naphthalen-2-ylmethyl)- imidazol-2-ylidene)]tripalladium(II) tetrafluoroborate nitromethane clathrate","","- C179 H162 B6 F24 N26 O34 Pd3 -","- C174.99 H150.03 B6.01 F24.04 N22 O26.01 Pd3 -","- C349.98 H300.06 B12.02 F48.08 N44 O52.02 Pd6 -","2","0.166667","","Henkelis, James J.; Carruthers, Christopher J.; Chambers, Scott E.; Clowes, Rob; Cooper, Andrew I.; Fisher, Julie; Hardie, Michaele J.","Metallo-cryptophanes decorated with bis-N-heterocyclic carbene ligands: self-assembly and guest uptake into a nonporous crystalline lattice.","Journal of the American Chemical Society","2014","136","41","14393","14396","10.1021/ja508502u","","","0.6889","synchrotron","","0.1269","0.1082","","","0.3142","0.3312","","","","","","1.373","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122744","24.7016","0.0008","24.7016","0.0008","20.3905","0.0007","90","","90","","120","","10774.8","0.6","100","2","100","2","","","","","","","","8","P 63/m","-P 6c","176","","di(tris(isonicotinoyl)-cyclotriguaiacylene} tri[1,1'-methylenebis(3-(naphthalen-2-ylmethyl)- imidazol-2-ylidene)]tripalladium(II) tetrafluoroborate iodine clathrate","","- C171 H147 B6 F24 I6 N18 O22.5 Pd3 -","- C171 H138 B6.01 F24.04 I6.07 N18 O22.5 Pd3 -","- C342 H276 B12.02 F48.08 I12.14 N36 O45 Pd6 -","2","0.166667","","Henkelis, James J.; Carruthers, Christopher J.; Chambers, Scott E.; Clowes, Rob; Cooper, Andrew I.; Fisher, Julie; Hardie, Michaele J.","Metallo-cryptophanes decorated with bis-N-heterocyclic carbene ligands: self-assembly and guest uptake into a nonporous crystalline lattice.","Journal of the American Chemical Society","2014","136","41","14393","14396","10.1021/ja508502u","","","1.54184","CuKα","","0.1843","0.1468","","","0.3884","0.4234","","","","","","1.761","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122745","10.9396","0.0006","10.9396","0.0006","14.064","0.0011","90","","90","","90","","1683.11","0.19","223","","223","","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C34 H20 N2 O8 Zn2 -","- C34 H8 N2 O8 Zn2 -","- C34 H8 N2 O8 Zn2 -","1","0.0625","","Hirai, Kenji; Reboul, Julien; Morone, Nobuhiro; Heuser, John E.; Furukawa, Shuhei; Kitagawa, Susumu","Diffusion-coupled molecular assembly: structuring of coordination polymers across multiple length scales.","Journal of the American Chemical Society","2014","136","42","14966","14973","10.1021/ja507971r","","","0.7107","MoKα","","","0.0692","","","","0.2315","","","","","","1.158","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122746","9.923","0.016","19.1","0.03","14.33","0.03","90","","90","","90","","2716","8","93","","93","","","","","","","","","5","C m m a","-C 2a 2","67","","","","- C56 H34 N4 O16 Zn4 -","- C55.9952 N4 O16 Zn4 -","- C111.99 N8 O32 Zn8 -","2","0.125","","Hirai, Kenji; Reboul, Julien; Morone, Nobuhiro; Heuser, John E.; Furukawa, Shuhei; Kitagawa, Susumu","Diffusion-coupled molecular assembly: structuring of coordination polymers across multiple length scales.","Journal of the American Chemical Society","2014","136","42","14966","14973","10.1021/ja507971r","","","0.71075","MoKα","","","0.1428","","","","0.3874","","","","","","1.333","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122747","10.887","0.003","10.923","0.003","14.068","0.004","89.214","0.008","87.59","0.007","79.816","0.008","1645.1","0.8","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 N3 O9 Zn2 -","- C31 H8 N3 O9 Zn2 -","- C62 H16 N6 O18 Zn4 -","2","1","","Hirai, Kenji; Reboul, Julien; Morone, Nobuhiro; Heuser, John E.; Furukawa, Shuhei; Kitagawa, Susumu","Diffusion-coupled molecular assembly: structuring of coordination polymers across multiple length scales.","Journal of the American Chemical Society","2014","136","42","14966","14973","10.1021/ja507971r","","","0.71075","MoKα","","","0.0512","","","","0.1835","","","","","","1.098","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122748","10.135","0.004","19.904","0.008","28.122","0.012","90","","98.474","0.009","90","","5611","4","296","2","296","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C39 H42 B2 F8 Fe2 N2 O4 P2 S2 -","- C39 H42 B2 F8 Fe2 N2 O4 P2 S2 -","- C156 H168 B8 F32 Fe8 N8 O16 P8 S8 -","4","1","","Zheng, Dehua; Wang, Ning; Wang, Mei; Ding, Shengda; Ma, Chengbing; Darensbourg, Marcetta Y.; Hall, Michael B.; Sun, Licheng","Intramolecular Iron-Mediated C-H Bond Heterolysis with an Assist of Pendant Base in a [FeFe]-Hydrogenase Model.","Journal of the American Chemical Society","2014","","","141007112505006","","10.1021/ja5078014","","x-ray","0.71073","MoKα","","0.236","0.0904","","","0.166","0.2199","","","","","","0.996","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122749","12.7976","0.0013","13.3807","0.0013","13.8252","0.0014","96.816","0.002","106.05","0.002","117.22","0.002","1938.2","0.3","296","2","296","2","","","","","","","","10","P 1","P 1","1","","","","- C72 H55 B Cl2 F24 Fe2 N2 O4 P2 S2 -","- C72 H55 B Cl2 F24 Fe2 N2 O4 P2 S2 -","- C72 H55 B Cl2 F24 Fe2 N2 O4 P2 S2 -","1","1","","Zheng, Dehua; Wang, Ning; Wang, Mei; Ding, Shengda; Ma, Chengbing; Darensbourg, Marcetta Y.; Hall, Michael B.; Sun, Licheng","Intramolecular Iron-Mediated C-H Bond Heterolysis with an Assist of Pendant Base in a [FeFe]-Hydrogenase Model.","Journal of the American Chemical Society","2014","","","141007112505006","","10.1021/ja5078014","","","0.71073","MoKα","","0.0508","0.0434","","","0.1133","0.1203","","","","","","1.073","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122750","14.5288","0.0005","12.6354","0.0004","17.3422","0.0006","90","","113.921","0.002","90","","2910.18","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Fe2 O4 P2 S2 -","- C26 H30 Fe2 O4 P2 S2 -","- C104 H120 Fe8 O16 P8 S8 -","4","1","","Zheng, Dehua; Wang, Ning; Wang, Mei; Ding, Shengda; Ma, Chengbing; Darensbourg, Marcetta Y.; Hall, Michael B.; Sun, Licheng","Intramolecular Iron-Mediated C-H Bond Heterolysis with an Assist of Pendant Base in a [FeFe]-Hydrogenase Model.","Journal of the American Chemical Society","2014","","","141007112505006","","10.1021/ja5078014","","","0.71073","MoKα","","0.0357","0.0275","","","0.0764","0.0812","","","","","","1.059","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122751","18.1015","0.0009","18.1158","0.0009","23.999","0.0012","90","","90","","90","","7869.8","0.7","110","","110","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H42 Fe2 N2 O4 P2 S2 -","- C39 H42 Fe2 N2 O4 P2 S2 -","- C312 H336 Fe16 N16 O32 P16 S16 -","8","1","","Zheng, Dehua; Wang, Ning; Wang, Mei; Ding, Shengda; Ma, Chengbing; Darensbourg, Marcetta Y.; Hall, Michael B.; Sun, Licheng","Intramolecular Iron-Mediated C-H Bond Heterolysis with an Assist of Pendant Base in a [FeFe]-Hydrogenase Model.","Journal of the American Chemical Society","2014","","","141007112505006","","10.1021/ja5078014","","x-ray","0.71073","MoKα","","0.102","0.0472","","","0.0937","0.1122","","","","","","0.991","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122752","17.8314","0.0007","17.0079","0.0007","20.8227","0.0008","90","","114.012","0.002","90","","5768.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H77 B Co N6 O -","- C70 H77 B Co N6 O -","- C280 H308 B4 Co4 N24 O4 -","4","1","","Zolnhofer, Eva M.; Käß, Martina; Khusniyarov, Marat M.; Heinemann, Frank W.; Maron, Laurent; van Gastel, Maurice; Bill, Eckhard; Meyer, Karsten","An Intermediate Cobalt(IV) Nitrido Complex and its N-Migratory Insertion Product.","Journal of the American Chemical Society","2014","136","42","15072","15078","10.1021/ja508144j","","","1.54178","CuKα","","0.0669","0.0486","","","0.1159","0.1258","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122753","19.0807","0.0018","42.12","0.005","22.668","0.002","90","","90","","90","","18218","3","120","2","120","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C50 H65.25 Cl Co N5.94 O2.16 -","- C50 H65.257 Cl Co N5.937 O2.159 -","- C800 H1044.11 Cl16 Co16 N94.992 O34.544 -","16","1","","Zolnhofer, Eva M.; Käß, Martina; Khusniyarov, Marat M.; Heinemann, Frank W.; Maron, Laurent; van Gastel, Maurice; Bill, Eckhard; Meyer, Karsten","An Intermediate Cobalt(IV) Nitrido Complex and its N-Migratory Insertion Product.","Journal of the American Chemical Society","2014","136","42","15072","15078","10.1021/ja508144j","","","0.71073","MoKα","","0.0948","0.0584","","","0.1106","0.1164","","","","","","1.639","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122754","13.421","0.002","21.477","0.003","17.353","0.002","90","","96.674","0.003","90","","4968","1.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H62 Cs F N6 O5 -","- C53 H62 Cs F N6 O5 -","- C212 H248 Cs4 F4 N24 O20 -","4","1","","Kim, Sung Kuk; Lee, Juhoon; Williams, Neil J.; Lynch, Vincent M.; Hay, Benjamin P.; Moyer, Bruce A.; Sessler, Jonathan L.","Bipyrrole-Strapped Calix[4]pyrroles: Strong Anion Receptors That Extract the Sulfate Anion.","Journal of the American Chemical Society","2014","136","42","15079","15085","10.1021/ja5086996","","","0.71075","MoKα","","0.0783","0.0524","","","0.1076","0.1182","","","","","","1.073","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122755","24.031","0.003","20.452","0.002","24.097","0.002","90","","112.993","0.004","90","","10902","2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H78 Cl N7 O4 -","- C60 H78 Cl N7 O4 -","- C480 H624 Cl8 N56 O32 -","8","2","","Kim, Sung Kuk; Lee, Juhoon; Williams, Neil J.; Lynch, Vincent M.; Hay, Benjamin P.; Moyer, Bruce A.; Sessler, Jonathan L.","Bipyrrole-Strapped Calix[4]pyrroles: Strong Anion Receptors That Extract the Sulfate Anion.","Journal of the American Chemical Society","2014","136","42","15079","15085","10.1021/ja5086996","","","0.71075","MoKα","","0.1449","0.0712","","","0.1432","0.1893","","","","","","1.046","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122756","11.318","0.002","23.919","0.003","25.502","0.004","90","","95.086","0.003","90","","6876.6","1.8","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H97 Cl3 N8 O12 S -","- C64 H95 Cl3 N8 O12 S -","- C256 H380 Cl12 N32 O48 S4 -","4","1","","Kim, Sung Kuk; Lee, Juhoon; Williams, Neil J.; Lynch, Vincent M.; Hay, Benjamin P.; Moyer, Bruce A.; Sessler, Jonathan L.","Bipyrrole-Strapped Calix[4]pyrroles: Strong Anion Receptors That Extract the Sulfate Anion.","Journal of the American Chemical Society","2014","136","42","15079","15085","10.1021/ja5086996","","","0.71075","MoKα","","0.2094","0.0948","","","0.2155","0.2715","","","","","","1.038","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122757","13.6765","0.0017","14.0933","0.0019","14.6861","0.0018","101.957","0.006","113.378","0.005","92.43","0.006","2517.4","0.6","193","2","193","2","","","","","","","","11","P -1","-P 1","2","","","","- C36 H39 Au B10 Cl4 F6 I N O4 P2 S2 -","- C36 H39 Au B10 Cl4 F6 I N O4 P2 S2 -","- C72 H78 Au2 B20 Cl8 F12 I2 N2 O8 P4 S4 -","2","1","","Joost, Maximilian; Zeineddine, Abdallah; Estévez, Laura; Mallet Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Facile oxidative addition of aryl iodides to gold(i) by ligand design: bending turns on reactivity.","Journal of the American Chemical Society","2014","136","42","14654","14657","10.1021/ja506978c","","x-ray","0.71073","MoKα","","0.1196","0.0619","","","0.1554","0.2278","","","","","","1.083","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122758","12.6158","0.0004","24.9363","0.0008","17.8759","0.0006","90","","105.403","0.001","90","","5421.6","0.3","193","2","193","2","","","","","","","synthesis as described","11","P 1 21/n 1","-P 2yn","14","","","","- C33 H59 Au B10 Cl4 F6 I N5 O4 P2 S2 -","- C33 H59 Au B10 Cl4 F6 I N5 O4 P2 S2 -","- C132 H236 Au4 B40 Cl16 F24 I4 N20 O16 P8 S8 -","4","1","","Joost, Maximilian; Zeineddine, Abdallah; Estévez, Laura; Mallet Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Facile oxidative addition of aryl iodides to gold(i) by ligand design: bending turns on reactivity.","Journal of the American Chemical Society","2014","136","42","14654","14657","10.1021/ja506978c","","x-ray","0.71073","MoKα","","0.0736","0.0385","","","0.0786","0.0925","","","","","","1.022","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122759","16.8086","0.0008","13.3678","0.0006","19.1005","0.0009","90","","103.857","0.002","90","","4166.9","0.3","193","2","193","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C21 H48 Au B10 Cl2 F6 N5 O4 P2 S2 -","- C21 H48 Au B10 Cl2 F6 N5 O4 P2 S2 -","- C84 H192 Au4 B40 Cl8 F24 N20 O16 P8 S8 -","4","1","","Joost, Maximilian; Zeineddine, Abdallah; Estévez, Laura; Mallet Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Facile oxidative addition of aryl iodides to gold(i) by ligand design: bending turns on reactivity.","Journal of the American Chemical Society","2014","136","42","14654","14657","10.1021/ja506978c","","","0.71073","MoKα","","0.0557","0.0306","","","0.0609","0.0674","","","","","","1.017","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122760","13.6536","0.0004","17.8161","0.0005","37.5266","0.001","90","","90","","90","","9128.5","0.4","193","2","193","2","","","","","","","synthesis as described","11","C 2 2 21","C 2c 2","20","","","","- C51 H102 Au2 B20 Cl2 F12 I2 N12 O8 P4 S4 -","- C51 H102 Au2 B20 Cl2 F12 I2 N12 O8 P4 S4 -","- C204 H408 Au8 B80 Cl8 F48 I8 N48 O32 P16 S16 -","4","0.5","","Joost, Maximilian; Zeineddine, Abdallah; Estévez, Laura; Mallet Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Facile oxidative addition of aryl iodides to gold(i) by ligand design: bending turns on reactivity.","Journal of the American Chemical Society","2014","136","42","14654","14657","10.1021/ja506978c","","x-ray","0.71073","MoKα","","0.0446","0.0331","","","0.0665","0.0783","","","","","","1.082","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122761","43.3","0.001","43.3","0.001","43.3","0.001","90","","90","","90","","81183","3","293","2","293","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- C150 H168 Ag6 Cl12 F36 N24 P6 S6 -","- C144 H156 Ag6 F35.96 N24 P6 S6 -","- C2304 H2496 Ag96 F575.36 N384 P96 S96 -","16","0.166667","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0784","0.0501","","","0.1163","0.1339","","","","","","1.064","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122762","43.025","0.002","43.025","0.002","43.025","0.002","90","","90","","90","","79646","6","293","2","293","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- C183 H204 Ag6 F36 N24 O6 P6 S6 -","- C162 H156 Ag6 F35.96 N24 P6 S6 -","- C2592 H2496 Ag96 F575.36 N384 P96 S96 -","16","0.166667","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0661","0.0419","","","0.1063","0.1178","","","","","","1.007","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122763","43.087","0.002","43.087","0.002","43.087","0.002","90","","90","","90","","79991","6","293","2","293","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- C180 H234 Ag6 F42 N24 O12 P6 S6 -","- C137.64 H137.76 Ag6 F41.9 N24 P6 S6 -","- C2202.24 H2204.16 Ag96 F670.4 N384 P96 S96 -","16","0.166667","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0955","0.0466","","","0.0903","0.1021","","","","","","1.007","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122764","42.95","0.003","42.95","0.003","42.95","0.003","90","","90","","90","","79230","10","293","2","293","2","","","","","","","","9","F d -3 :2","-F 2uv 2vw 3","203","","","","- C156 H180 Ag6 Cl24 F36 N24 O6 P6 S6 -","- C144 H156 Ag6 F35.96 N24 O6 P6 S6 -","- C2304 H2496 Ag96 F575.36 N384 O96 P96 S96 -","16","0.166667","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.1093","0.0773","","","0.2156","0.2453","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122765","11.708","0.001","15.342","0.001","34.461","0.002","90","","90","","90","","6190","0.8","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H25 Ag Cl2 F4 N4 O3 S2 -","- C25 H25 Ag Cl2 F4 N4 O3 S2 -","- C200 H200 Ag8 Cl16 F32 N32 O24 S16 -","8","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0616","0.0462","","","0.1288","0.141","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122766","30.542","0.007","22.961","0.005","24.166","0.005","90","","131.839","0.003","90","","12626","5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H64 Ag2 F6 N8 O7.5 S4 -","- C56 H64 Ag2 F6 N8 O7.5 S4 -","- C448 H512 Ag16 F48 N64 O60 S32 -","8","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.1265","0.0532","","","0.1217","0.1488","","","","","","1.015","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122767","22.444","0.001","20.464","0.001","28.423","0.001","90","","90","","90","","13054.5","1","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C58 H56 Ag2 Cl4 F6 N8 O6 S4 -","- C58 H56 Ag2 Cl4 F6 N8 O6 S4 -","- C464 H448 Ag16 Cl32 F48 N64 O48 S32 -","8","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.1354","0.0515","","","0.0834","0.0969","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122768","22.553","0.003","12.525","0.001","20.818","0.002","90","","90","","90","","5880.6","1.1","293","2","293","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C49 H54 Ag2 Cl2 F12 N8 O2 P2 S2 -","- C49 H54 Ag2 Cl2 F12 N8 O2 P2 S2 -","- C196 H216 Ag8 Cl8 F48 N32 O8 P8 S8 -","4","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0795","0.0411","","","0.0425","0.0467","","","","","","1.001","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122769","22.726","0.009","13.108","0.005","20.763","0.007","90","","90","","90","","6185","4","293","2","293","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C51 H54 Ag2 Cl2 F6 N8 O8 S4 -","- C51 H54 Ag2 Cl2 F6 N8 O8 S4 -","- C204 H216 Ag8 Cl8 F24 N32 O32 S16 -","4","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0647","0.0401","","","0.0865","0.0944","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122770","23.758","0.002","23.758","0.002","22.318","0.002","90","","90","","90","","12597.2","1.9","293","2","293","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C26.5 H31.5 Ag F6 N4 O0.75 P S -","- C26.5 H29 Ag F6 N4 O0.75 P S -","- C424 H464 Ag16 F96 N64 O12 P16 S16 -","16","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0616","0.042","","","0.1091","0.1215","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122771","21.775","0.001","21.08","0.001","27.323","0.002","90","","90","","90","","12541.7","1.2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C51 H54.5 Ag2 F6 N8 O6.25 S4 -","- C51 H54.5 Ag2 F6 N8 O6.25 S4 -","- C408 H436 Ag16 F48 N64 O50 S32 -","8","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.1343","0.0555","","","0.1049","0.1258","","","","","","1.003","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122772","16.1996","0.0007","8.8498","0.0004","13.0994","0.0005","90","","103.144","0.001","90","","1828.77","0.13","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0708","0.0448","","","0.1164","0.1322","","","","","","1.051","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122773","16.2248","0.001","8.8585","0.0005","13.0907","0.0008","90","","103.194","0.001","90","","1831.83","0.19","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0751","0.0482","","","0.1287","0.1436","","","","","","1.079","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122774","14.1437","0.001","10.7763","0.0008","12.2759","0.0009","90","","92.9231","0.001","90","","1868.6","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 Be O4 -","- C26 H14 Be O4 -","- C104 H56 Be4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0987","0.0494","","","0.116","0.138","","","","","","1.004","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122775","16.2127","0.0007","8.8624","0.0004","13.0931","0.0006","90","","103.167","0.001","90","","1831.8","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0757","0.0469","","","0.1201","0.1361","","","","","","1.054","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122776","16.3111","0.0012","8.8173","0.0006","13.0729","0.001","90","","103.499","0.001","90","","1828.2","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0809","0.0485","","","0.1215","0.1373","","","","","","1.046","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122777","16.2217","0.0005","8.8531","0.0003","13.0922","0.0004","90","","103.187","0.001","90","","1830.62","0.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0531","0.0434","","","0.1264","0.1362","","","","","","1.062","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122778","16.3914","0.0003","8.7861","0.0002","13.0587","0.0003","90","","103.74","0.001","90","","1826.85","0.07","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0618","0.0459","","","0.1358","0.1497","","","","","","1.026","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122779","16.2312","0.001","8.8458","0.0005","13.0948","0.0008","90","","103.209","0.001","90","","1830.38","0.19","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0727","0.0474","","","0.1234","0.1399","","","","","","1.035","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122780","16.0323","0.0006","8.9644","0.0003","13.1066","0.0005","90","","102.599","0.002","90","","1838.32","0.12","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0781","0.0438","","","0.1153","0.133","","","","","","1.031","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122781","16.1858","0.0008","8.8633","0.0004","13.1029","0.0007","90","","103.117","0.001","90","","1830.69","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0713","0.047","","","0.1275","0.1444","","","","","","1.038","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122782","25.1101","0.0003","11.0118","0.0002","19.2265","0.0001","90","","90","","90","","5316.27","0.12","100","2","100.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C46 H56 F18 Ir2 N7 P3 -","- C46 H56 F18 Ir2 N7 P3 -","- C184 H224 F72 Ir8 N28 P12 -","4","1","","Barrett, Seth M.; Pitman, Catherine L.; Walden, Andrew G.; Miller, Alexander J. M.","Photoswitchable hydride transfer from iridium to 1-methylnicotinamide rationalized by thermochemical cycles.","Journal of the American Chemical Society","2014","136","42","14718","14721","10.1021/ja508762g","","","1.54178","CuKα","","0.0441","0.0401","","","0.0942","0.0967","","","","","","1.046","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122783","11.2341","0.0004","5.9399","0.0002","13.0778","0.0004","90","","97.744","0.002","90","","864.72","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 Br Cl O4 -","- C18 H18 Br Cl O4 -","- C36 H36 Br2 Cl2 O8 -","2","1","","Goodman, C. Guy; Johnson, Jeffrey S.","Dynamic Kinetic Asymmetric Cross-Benzoin Additions of β-Stereogenic α-Keto Esters.","Journal of the American Chemical Society","2014","136","42","14698","14701","10.1021/ja508521a","","","1.54178","CuKα","","0.0282","0.0259","","","0.0603","0.0611","","","","","","1.046","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122784","11.75","0.003","10.503","0.002","22.465","0.005","90","","105.16","","90","","2675.9","1","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(POCOP)Rh(Na)(SPh)","","","- C24 H36 Na O2 P2 Rh S -","- C24 H36 Na O2 P2 Rh S -","- C96 H144 Na4 O8 P8 Rh4 S4 -","4","1","","Timpa, Samuel D.; Pell, Christopher J.; Ozerov, Oleg V.","A Well-Defined (POCOP)Rh Catalyst for the Coupling of Aryl Halides with Thiols.","Journal of the American Chemical Society","2014","136","42","14772","14779","10.1021/ja505576g","","","0.71073","MoKα","","0.0365","0.0291","","","0.0591","0.0612","","","","","","0.962","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122785","7.971","0.002","10.293","0.003","16.739","0.005","104.378","0.003","97.568","0.003","91.94","0.003","1315.6","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","(POCOP)Rh(H)(SPh)","","","- C24 H36 O2 P2 Rh S -","- C24 H36 O2 P2 Rh S -","- C48 H72 O4 P4 Rh2 S2 -","2","1","","Timpa, Samuel D.; Pell, Christopher J.; Ozerov, Oleg V.","A Well-Defined (POCOP)Rh Catalyst for the Coupling of Aryl Halides with Thiols.","Journal of the American Chemical Society","2014","136","42","14772","14779","10.1021/ja505576g","","","0.71073","MoKα","","0.0922","0.087","","","0.2382","0.24","","","","","","1.23","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122786","11.742","0.002","21.333","0.004","12.042","0.002","90","","100.23","0.002","90","","2968.5","0.9","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(POCOP)Rh(SPh2)","","","- C30 H41 O2 P2 Rh S -","- C30 H41 O2 P2 Rh S -","- C120 H164 O8 P8 Rh4 S4 -","4","1","","Timpa, Samuel D.; Pell, Christopher J.; Ozerov, Oleg V.","A Well-Defined (POCOP)Rh Catalyst for the Coupling of Aryl Halides with Thiols.","Journal of the American Chemical Society","2014","136","42","14772","14779","10.1021/ja505576g","","","0.71073","MoKα","","0.0385","0.032","","","0.0865","0.0897","","","","","","0.963","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122787","11.492","0.003","32.514","0.008","16.267","0.004","90","","92.333","0.003","90","","6073","3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(POCOP)Rh(Ph)(SPh)","","","- C30 H41 O2 P2 Rh S -","- C30 H41 O2 P2 Rh S -","- C240 H328 O16 P16 Rh8 S8 -","8","2","","Timpa, Samuel D.; Pell, Christopher J.; Ozerov, Oleg V.","A Well-Defined (POCOP)Rh Catalyst for the Coupling of Aryl Halides with Thiols.","Journal of the American Chemical Society","2014","136","42","14772","14779","10.1021/ja505576g","","","0.71073","MoKα","","0.1068","0.0461","","","0.0641","0.0755","","","","","","0.784","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122788","18.8758","0.001","20.3394","0.0013","13.1067","0.0008","90","","104.883","0.003","90","","4863.1","0.5","100","2","99.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H94 F36 N16 P6 -","- C82 H94 F36 N16 P6 -","- C164 H188 F72 N32 P12 -","2","0.5","","Cheng, Chuyang; McGonigal, Paul R.; Liu, Wei-Guang; Li, Hao; Vermeulen, Nicolaas A.; Ke, Chenfeng; Frasconi, Marco; Stern, Charlotte L.; Goddard Iii, William A.; Stoddart, J. Fraser","Energetically demanding transport in a supramolecular assembly.","Journal of the American Chemical Society","2014","136","42","14702","14705","10.1021/ja508615f","","","1.54178","CuKα","","0.0744","0.0696","","","0.187","0.1898","","","","","","1.123","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122789","10.4419","0.0019","11.239","0.002","13.655","0.003","84.562","0.004","85.982","0.003","75.605","0.003","1543.4","0.5","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 F3 N2 O2 Rh -","- C36 H34 F3 N2 O2 Rh -","- C72 H68 F6 N4 O4 Rh2 -","2","1","","O'Reilly, Matthew E; Fu, Ross; Nielsen, Robert J.; Sabat, Michal; Goddard, 3rd, William A; Gunnoe, T. Brent","Long-Range C-H Bond Activation by Rh(III)-Carboxylates.","Journal of the American Chemical Society","2014","136","42","14690","14693","10.1021/ja508367m","","","0.71073","MoKα","","0.0278","0.0229","","","0.0482","0.05","","","","","","1.04","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122790","11.2149","0.0009","15.3785","0.0012","15.982","0.0011","91.046","0.006","93.877","0.007","98.227","0.007","2720.7","0.4","200","","200","","","","","","","","","5","P -1","-P 1","2","","[{(t-BuC6H4)3CCONH](n-BuCONH)C6H3COO}2Mg(H2O)4]-5(dioxane)-2H2O","","- C108 H158 Mg N4 O24 -","- C108 H158 Mg N4 O24 -","- C108 H158 Mg N4 O24 -","1","0.5","","Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka","Regulation of the Hydrolytic Activity of Mg(2+)-Dependent Phosphatase Models by Intramolecular NH···O Hydrogen Bonds.","Journal of the American Chemical Society","2014","136","42","14639","14641","10.1021/ja509006x","","","0.71075","MoKα","","0.0901","0.0714","","","0.1861","0.1997","","","","","","1.038","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122791","11.074","0.003","16.485","0.005","28.872","0.009","84.653","0.006","85.433","0.006","81.963","0.006","5184","3","200","","200","","","","","","","","","5","P -1","-P 1","2","","[{(t-BuC6H4)3CCONHC6H4COO}2Mg(H2O)4]-7(dioxane)","","- C106 H152 Mg N2 O24 -","- C106 H152 Mg N2 O24 -","- C212 H304 Mg2 N4 O48 -","2","1","","Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka","Regulation of the Hydrolytic Activity of Mg(2+)-Dependent Phosphatase Models by Intramolecular NH···O Hydrogen Bonds.","Journal of the American Chemical Society","2014","136","42","14639","14641","10.1021/ja509006x","","","0.71075","MoKα","","0.213","0.0814","","","0.1681","0.2129","","","","","","1.005","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122792","26.9772","0.0018","25.2813","0.0005","16.7103","0.0003","90","","90","","90","","11396.7","0.8","200","","200","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","[{[(t-BuC6H4)3CCONH](n-BuCONH)C6H4COO}2Zn(H2O)4]-6(dioxane)","","- C112 H162 N4 O24 Zn -","- C112 H162 N4 O24 Zn -","- C448 H648 N16 O96 Zn4 -","4","0.5","","Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka","Regulation of the Hydrolytic Activity of Mg(2+)-Dependent Phosphatase Models by Intramolecular NH···O Hydrogen Bonds.","Journal of the American Chemical Society","2014","136","42","14639","14641","10.1021/ja509006x","","","0.71075","MoKα","","0.0836","0.0599","","","0.1473","0.1614","","","","","","1.018","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122793","11.0889","0.0012","14.4891","0.0016","16.502","0.002","84.685","0.006","82.201","0.006","85.359","0.006","2609.2","0.5","200","","200","","","","","","","","","5","P -1","-P 1","2","","[Zn(H2O)4{O2CC6H4NHCOC(C6H4-t-Bu)3}2]-7(dioxane)","","- C106 H152 N2 O24 Zn -","- C106 H152 N2 O24 Zn -","- C106 H152 N2 O24 Zn -","1","0.5","","Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka","Regulation of the Hydrolytic Activity of Mg(2+)-Dependent Phosphatase Models by Intramolecular NH···O Hydrogen Bonds.","Journal of the American Chemical Society","2014","136","42","14639","14641","10.1021/ja509006x","","","0.71075","MoKα","","0.2576","0.0846","","","0.1152","0.1484","","","","","","0.945","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122794","23.344","0.0015","14.6417","0.0009","15.9048","0.001","90","","102.03","0.004","90","","5316.8","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","PMIdimer1","","- C69 H53 Cl3 N2 O6 -","- C69 H53 Cl3 N2 O6 -","- C276 H212 Cl12 N8 O24 -","4","1","","Lindquist, Rebecca J.; Lefler, Kelly M.; Brown, Kristen E.; Dyar, Scott M.; Margulies, Eric A.; Young, Ryan M.; Wasielewski, Michael R.","Energy Flow Dynamics within Cofacial and Slip-Stacked Perylene-3,4-dicarboximide Dimer Models of π-Aggregates.","Journal of the American Chemical Society","2014","136","42","14912","14923","10.1021/ja507653p","","","1.54178","CuKα","","0.2039","0.1517","","","0.3748","0.4083","","","","","","1.394","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122795","17.3715","0.0012","21.011","0.0015","21.0234","0.0014","73.849","0.005","71.103","0.005","69.341","0.005","6675.5","0.8","100","2","99.97","","","","","","","","","5","P -1","-P 1","2","","","","- C80.88 H59.38 Cl4.12 N2 O5.5 -","- C80.875 H59.375 Cl4.125 N2 O5.5 -","- C323.5 H237.5 Cl16.5 N8 O22 -","4","2","","Lindquist, Rebecca J.; Lefler, Kelly M.; Brown, Kristen E.; Dyar, Scott M.; Margulies, Eric A.; Young, Ryan M.; Wasielewski, Michael R.","Energy Flow Dynamics within Cofacial and Slip-Stacked Perylene-3,4-dicarboximide Dimer Models of π-Aggregates.","Journal of the American Chemical Society","2014","136","42","14912","14923","10.1021/ja507653p","","","1.54178","CuKα","","0.1568","0.0963","","","0.2415","0.2686","","","","","","1.001","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122796","11.815","0.005","9.296","0.005","11.952","0.006","90","","110.06","0.02","90","","1233.1","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H38 N2 O5 -","- C25 H38 N2 O5 -","- C50 H76 N4 O10 -","2","1","","Giuliano, Michael W.; Maynard, Stacy J.; Almeida, Aaron M.; Guo, Li; Guzei, Ilia A.; Spencer, Lara C.; Gellman, Samuel H.","A γ-Amino Acid That Favors 12/10-Helical Secondary Structure in α/γ-Peptides.","Journal of the American Chemical Society","2014","136","42","15046","15053","10.1021/ja5076585","","","1.54178","CuKα","","0.0288","0.0283","","","0.072","0.0724","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122797","13.8249","0.0011","16.1166","0.0011","17.3628","0.0017","90","","90","","90","","3868.6","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H60 N4 O7 -","- C38 H60 N4 O7 -","- C152 H240 N16 O28 -","4","1","","Giuliano, Michael W.; Maynard, Stacy J.; Almeida, Aaron M.; Guo, Li; Guzei, Ilia A.; Spencer, Lara C.; Gellman, Samuel H.","A γ-Amino Acid That Favors 12/10-Helical Secondary Structure in α/γ-Peptides.","Journal of the American Chemical Society","2014","136","42","15046","15053","10.1021/ja5076585","","","1.54178","CuKα","","0.0285","0.0282","","","0.0732","0.0735","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122798","8.0074","0.0003","11.6089","0.0006","13.7965","0.0008","86.976","0.004","78.153","0.004","73.826","0.004","1205.47","0.11","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 N3 O6 S -","- C25 H29 N3 O6 S -","- C50 H58 N6 O12 S2 -","2","1","","Wagnières, Olivier; Xu, Zhengren; Wang, Qian; Zhu, Jieping","Unified strategy to monoterpene indole alkaloids: total syntheses of (±)-goniomitine, (±)-1,2-dehydroaspidospermidine, (±)-aspidospermidine, (±)-vincadifformine, and (±)-kopsihainanine a.","Journal of the American Chemical Society","2014","136","42","15102","15108","10.1021/ja509329x","","","1.54178","CuKα","","0.0385","0.037","","","0.0963","0.0977","","","","","","1.03","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122799","7.6082","0.0004","5.8948","0.0003","28.6991","0.0015","90","","93.583","0.003","90","","1284.6","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 B N -","- C18 H14 B N -","- C72 H56 B4 N4 -","4","1","","Ishibashi, Jacob S. A.; Marshall, Jonathan L.; Mazière, Audrey; Lovinger, Gabriel J.; Li, Bo; Zakharov, Lev N.; Dargelos, Alain; Graciaa, Alain; Chrostowska, Anna; Liu, Shih-Yuan","Two BN Isosteres of Anthracene: Synthesis and Characterization.","Journal of the American Chemical Society","2014","136","43","15414","15421","10.1021/ja508813v","","","1.54178","CuKα","","0.0666","0.0616","","","0.1449","0.1485","","","","","","1.103","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122800","10.982","0.003","40.431","0.01","8.0776","0.0018","90","","132.593","0.004","90","","2640.4","1.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H27 B N2 -","- C36 H27 B N2 -","- C144 H108 B4 N8 -","4","1","","Ishibashi, Jacob S. A.; Marshall, Jonathan L.; Mazière, Audrey; Lovinger, Gabriel J.; Li, Bo; Zakharov, Lev N.; Dargelos, Alain; Graciaa, Alain; Chrostowska, Anna; Liu, Shih-Yuan","Two BN Isosteres of Anthracene: Synthesis and Characterization.","Journal of the American Chemical Society","2014","136","43","15414","15421","10.1021/ja508813v","","","0.71073","MoKα","","0.0507","0.0418","","","0.0924","0.0974","","","","","","1.017","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122801","18.884","0.012","10.814","0.007","27.811","0.018","90","","90.185","0.01","90","","5679","6","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 F3 N2 O3 P3 S -","- C21 H40 F3 N2 O3 P3 S -","- C168 H320 F24 N16 O24 P24 S8 -","8","2","","Robertson, Alasdair P. M.; Dyker, C. Adam; Gray, Paul A.; Patrick, Brian O.; Decken, Andreas; Burford, Neil","Diverse Reactivity of the cyclo-Diphosphinophosphonium Cation [(PtBu)3Me](+): Parallels with Epoxides and New catena-Phosphorus Frameworks.","Journal of the American Chemical Society","2014","136","42","14941","14950","10.1021/ja507741s","","x-ray","0.71073","MoKα","","0.0449","0.0399","","","0.0929","0.0953","","","","","","1.071","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122802","11.385","0.006","14.133","0.007","17.412","0.008","90","","100.007","0.008","90","","2759","2","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 F6 O6 P4 S2 -","- C14 H30 F6 O6 P4 S2 -","- C56 H120 F24 O24 P16 S8 -","4","1","","Robertson, Alasdair P. M.; Dyker, C. Adam; Gray, Paul A.; Patrick, Brian O.; Decken, Andreas; Burford, Neil","Diverse Reactivity of the cyclo-Diphosphinophosphonium Cation [(PtBu)3Me](+): Parallels with Epoxides and New catena-Phosphorus Frameworks.","Journal of the American Chemical Society","2014","136","42","14941","14950","10.1021/ja507741s","","x-ray","0.71073","MoKα","","0.0685","0.0369","","","0.0819","0.0882","","","","","","1.01","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122803","9.6018","0.0005","9.3773","0.0005","11.5356","0.0006","90","","92.6341","0.0007","90","","1037.56","0.09","88","2","88","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","2","","Tollefson, Emily J.; Dawson, David D.; Osborne, Charlotte A.; Jarvo, Elizabeth R.","Stereospecific cross-coupling reactions of aryl-substituted tetrahydrofurans, tetrahydropyrans, and lactones.","Journal of the American Chemical Society","2014","136","42","14951","14958","10.1021/ja5076426","","","0.71073","MoKα","","0.0397","0.0367","","","0.0917","0.0939","","","","","","1.042","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122804","6.1199","0.0004","10.7129","0.0007","23.8191","0.0015","90","","90","","90","","1561.62","0.17","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O -","- C21 H20 O -","- C84 H80 O4 -","4","1","","Tollefson, Emily J.; Dawson, David D.; Osborne, Charlotte A.; Jarvo, Elizabeth R.","Stereospecific cross-coupling reactions of aryl-substituted tetrahydrofurans, tetrahydropyrans, and lactones.","Journal of the American Chemical Society","2014","136","42","14951","14958","10.1021/ja5076426","","","0.71073","MoKα","","0.0608","0.0505","","","0.1037","0.1096","","","","","","1.05","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122805","15.8595","0.0011","11.0683","0.0008","13.0301","0.0009","90","","90.8344","0.0009","90","","2287","0.3","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O5 -","- C28 H25 N O5 -","- C112 H100 N4 O20 -","4","1","","Tollefson, Emily J.; Dawson, David D.; Osborne, Charlotte A.; Jarvo, Elizabeth R.","Stereospecific cross-coupling reactions of aryl-substituted tetrahydrofurans, tetrahydropyrans, and lactones.","Journal of the American Chemical Society","2014","136","42","14951","14958","10.1021/ja5076426","","","0.71073","MoKα","","0.0529","0.045","","","0.125","0.1306","","","","","","1.061","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122806","16.686","0.0008","11.0565","0.0005","12.9454","0.0006","90","","105.515","0.0006","90","","2301.26","0.19","88","2","88","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O5 -","- C28 H25 N O5 -","- C112 H100 N4 O20 -","4","1","","Tollefson, Emily J.; Dawson, David D.; Osborne, Charlotte A.; Jarvo, Elizabeth R.","Stereospecific cross-coupling reactions of aryl-substituted tetrahydrofurans, tetrahydropyrans, and lactones.","Journal of the American Chemical Society","2014","136","42","14951","14958","10.1021/ja5076426","","","0.71073","MoKα","","0.0564","0.0422","","","0.1007","0.1085","","","","","","1.033","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122807","27.1914","0.0002","64.5676","0.0006","59.3556","0.0012","90","","92.701","0.001","90","","104094","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C688 H1107 Dy19 N104 O190 -","- C688 H1021 Dy19 N104 O190 -","- C2752 H4084 Dy76 N416 O760 -","4","1","","D'Alessio, Daniel; Sobolev, Alexandre N.; Skelton, Brian W.; Fuller, Rebecca O.; Woodward, Robert C.; Lengkeek, Nigel A.; Fraser, Benjamin H.; Massi, Massimiliano; Ogden, Mark I.","Lanthanoid ""bottlebrush"" clusters: remarkably elongated metal-oxo core structures with controllable lengths.","Journal of the American Chemical Society","2014","136","43","15122","15125","10.1021/ja506677h","","","1.54178","CuKα","","0.1841","0.1061","","","0.3052","0.3682","","","","","","1.002","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122808","52.1542","0.001","44.1877","0.001","50.9434","0.0008","90","","112.332","0.002","90","","108597","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C652 H959 Dy19 N96 O172 -","- C652 H943 Dy19 N96 O172.04 -","- C2608 H3772 Dy76 N384 O688.16 -","4","0.5","","D'Alessio, Daniel; Sobolev, Alexandre N.; Skelton, Brian W.; Fuller, Rebecca O.; Woodward, Robert C.; Lengkeek, Nigel A.; Fraser, Benjamin H.; Massi, Massimiliano; Ogden, Mark I.","Lanthanoid ""bottlebrush"" clusters: remarkably elongated metal-oxo core structures with controllable lengths.","Journal of the American Chemical Society","2014","136","43","15122","15125","10.1021/ja506677h","","","1.54178","CuKα","","0.1121","0.0773","","","0.2112","0.2296","","","","","","1.012","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122809","45.6636","0.0006","45.6636","0.0006","151.631","0.003","90","","90","","120","","273816","7","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C660 H988 Dy19 N96 O162.5 -","- C660 H967.01 Dy19 N96 O162.47 -","- C7920 H11604.1 Dy228 N1152 O1949.64 -","12","0.333333","","D'Alessio, Daniel; Sobolev, Alexandre N.; Skelton, Brian W.; Fuller, Rebecca O.; Woodward, Robert C.; Lengkeek, Nigel A.; Fraser, Benjamin H.; Massi, Massimiliano; Ogden, Mark I.","Lanthanoid ""bottlebrush"" clusters: remarkably elongated metal-oxo core structures with controllable lengths.","Journal of the American Chemical Society","2014","136","43","15122","15125","10.1021/ja506677h","","","1.54178","CuKα","","0.1449","0.1043","","","0.2847","0.3124","","","","","","1.268","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122810","39.2443","0.0011","39.2443","0.0011","26.2023","0.0008","90","","90","","120","","34948.1","1.7","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C347 H485 Dy12 N48 O83 -","- C346.86 H427.623 Dy12 N48 O76.2496 -","- C1040.58 H1282.87 Dy36 N144 O228.749 -","3","0.333333","","D'Alessio, Daniel; Sobolev, Alexandre N.; Skelton, Brian W.; Fuller, Rebecca O.; Woodward, Robert C.; Lengkeek, Nigel A.; Fraser, Benjamin H.; Massi, Massimiliano; Ogden, Mark I.","Lanthanoid ""bottlebrush"" clusters: remarkably elongated metal-oxo core structures with controllable lengths.","Journal of the American Chemical Society","2014","136","43","15122","15125","10.1021/ja506677h","","","0.71073","MoKα","","0.091","0.0642","","","0.1674","0.1852","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122811","10.0282","0.0008","12.0996","0.0011","14.7064","0.0012","90","","90","","90","","1784.4","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl I N O3 P -","- C17 H18 Cl I N O3 P -","- C68 H72 Cl4 I4 N4 O12 P4 -","4","1","","Toda, Yasunori; Pink, Maren; Johnston, Jeffrey N.","Brønsted Acid catalyzed phosphoramidic Acid additions to alkenes: diastereo- and enantioselective halogenative cyclizations for the synthesis of C- and p-chiral phosphoramidates.","Journal of the American Chemical Society","2014","136","42","14734","14737","10.1021/ja5088584","","","0.71073","MoKα","","0.0231","0.0204","","","0.0393","0.0399","","","","","","1.058","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122812","16.362","0.003","19.9","0.003","32.189","0.005","89.736","0.009","77.79","0.008","80.239","0.009","10090","3","100","","100.28","","","","","","","","","4","P -1","-P 1","2","","","","- C160 H240 Au24 S16 -","- C160 H240 Au24 S16 -","- C320 H480 Au48 S32 -","2","1","","Crasto, David; Barcaro, Giovanni; Stener, Mauro; Sementa, Luca; Fortunelli, Alessandro; Dass, Amala","Au24(SAdm)16 Nanomolecules: X-ray Crystal Structure, Theoretical Analysis, Adaptability of Adamantane Ligands to Form Au23(SAdm)16 and Au25(SAdm)16, and Its Relation to Au25(SR)18.","Journal of the American Chemical Society","2014","136","42","14933","14940","10.1021/ja507738e","","x-ray","0.71073","MoKα","K-L~3~","0.0902","0.0519","","","0.1646","0.1797","","","","","","1.047","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122813","10.5769","0.0016","15.839","0.002","16.025","0.002","109.034","0.0019","102.164","0.002","108.021","0.002","2263.7","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H16 Al F36 O4 S2 -","- C38 H16 Al F36 O4 S2 -","- C76 H32 Al2 F72 O8 S4 -","2","1","","Zhang, Senwang; Wang, Xingyong; Sui, Yunxia; Wang, Xinping","Odd-Electron-Bonded Sulfur Radical Cations: X-ray Structural Evidence of a Sulfur-Sulfur Three-Electron σ-Bond.","Journal of the American Chemical Society","2014","136","42","14666","14669","10.1021/ja507918c","","","0.71073","MoKα","","0.0739","0.0592","","","0.1733","0.2024","","","","","","1.015","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122814","18.1584","0.0016","20.0734","0.0017","54.656","0.005","90","","94.057","0.002","90","","19872","3","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C155.54 H71.07 Al4 Cl7.07 F144 O16 S4 Se4 -","- C155.541 H71.082 Al4 Cl7.082 F144 O16 S4 Se4 -","- C622.164 H284.328 Al16 Cl28.328 F576 O64 S16 Se16 -","4","1","","Zhang, Senwang; Wang, Xingyong; Sui, Yunxia; Wang, Xinping","Odd-Electron-Bonded Sulfur Radical Cations: X-ray Structural Evidence of a Sulfur-Sulfur Three-Electron σ-Bond.","Journal of the American Chemical Society","2014","136","42","14666","14669","10.1021/ja507918c","","","0.71073","MoKα","","0.2132","0.1385","","","0.3858","0.4302","","","","","","1.416","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122815","10.8535","0.0002","11.216","0.0002","16.7367","0.0003","91.474","0.002","101.653","0.002","118.93","0.002","1728.21","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H55.86 B Br0.07 Co P3 -","- C36 H55.868 B Br0.066 Co P3 -","- C72 H111.736 B2 Br0.132 Co2 P6 -","2","1","","Gunderson, William A.; Suess, Daniel L. M.; Fong, Henry; Wang, Xiaoping; Hoffmann, Christina M.; Cutsail Iii, George E.; Peters, Jonas C.; Hoffman, Brian M.","Free H2 Rotation vs Jahn-Teller Constraints in the Nonclassical Trigonal (TPB)Co-H2 Complex.","Journal of the American Chemical Society","2014","136","42","14998","15009","10.1021/ja508117h","","","1","neutron","","0.0664","0.0664","","","0.1288","0.1288","","","","","","1.115","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122816","6.97471","0.00013","15.5811","0.0003","15.7189","0.0003","90","","92.442","0.0007","90","","1706.68","0.06","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Cu F5 N2 -","- C20 H12 Cu F5 N2 -","- C80 H48 Cu4 F20 N8 -","4","1","","Saijo, Hiroki; Ohashi, Masato; Ogoshi, Sensuke","Fluoroalkylcopper(I) complexes generated by the carbocupration of tetrafluoroethylene: construction of a tetrafluoroethylene-bridging structure.","Journal of the American Chemical Society","2014","136","43","15158","15161","10.1021/ja5093776","","","1.54187","CuKα","","","0.0355","","","","0.0928","","","","","","1.126","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122817","9.2786","0.0011","8.7907","0.0012","18.68","0.003","90","","101.237","0.004","90","","1494.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H20 Cl N3 O4 -","- C11 H20 Cl N3 O4 -","- C44 H80 Cl4 N12 O16 -","4","1","","Rodriguez, Rodrigo A.; Barrios Steed, Danielle; Kawamata, Yu; Su, Shun; Smith, Peter A.; Steed, Tyler C.; Romesberg, Floyd E.; Baran, Phil S.","Axinellamines as broad-spectrum antibacterial agents: scalable synthesis and biology.","Journal of the American Chemical Society","2014","136","43","15403","15413","10.1021/ja508632y","","","0.71073","MoKα","","0.0333","0.0299","","","0.0808","0.083","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122818","12.0535","0.0013","7.1631","0.0007","9.0112","0.0009","90","","92.403","0.007","90","","777.35","0.14","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 O3 -","- C8 H12 O3 -","- C32 H48 O12 -","4","1","","Rodriguez, Rodrigo A.; Barrios Steed, Danielle; Kawamata, Yu; Su, Shun; Smith, Peter A.; Steed, Tyler C.; Romesberg, Floyd E.; Baran, Phil S.","Axinellamines as broad-spectrum antibacterial agents: scalable synthesis and biology.","Journal of the American Chemical Society","2014","136","43","15403","15413","10.1021/ja508632y","","","1.54178","CuKα","","0.0395","0.0376","","","0.0935","0.095","","","","","","1.112","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122819","5.6142","0.0005","12.7026","0.0008","12.0019","0.0008","90","","95.341","0.003","90","","852.2","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","RRVI N oxide diol","3-(N,N-diethylamine)-propan-1,2-diol-N-oxide","","- C7 H17 N O3 -","- C7 H17 N O3 -","- C28 H68 N4 O12 -","4","1","","Rodriguez, Rodrigo A.; Barrios Steed, Danielle; Kawamata, Yu; Su, Shun; Smith, Peter A.; Steed, Tyler C.; Romesberg, Floyd E.; Baran, Phil S.","Axinellamines as broad-spectrum antibacterial agents: scalable synthesis and biology.","Journal of the American Chemical Society","2014","136","43","15403","15413","10.1021/ja508632y","","x-ray","0.71073","MoKα","K-L~3~","0.0383","0.0324","","","0.0846","0.0872","","","","","","1.044","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122820","10.0808","0.0012","10.94","0.0013","17.225","0.002","90","","94.659","0.002","90","","1893.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 Br N2 O5 -","- C17 H27 Br N2 O5 -","- C68 H108 Br4 N8 O20 -","4","1","","Rodriguez, Rodrigo A.; Barrios Steed, Danielle; Kawamata, Yu; Su, Shun; Smith, Peter A.; Steed, Tyler C.; Romesberg, Floyd E.; Baran, Phil S.","Axinellamines as broad-spectrum antibacterial agents: scalable synthesis and biology.","Journal of the American Chemical Society","2014","136","43","15403","15413","10.1021/ja508632y","","","0.71073","MoKα","","0.0338","0.0266","","","0.0576","0.0602","","","","","","1.051","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122821","12.5877","0.0003","13.9945","0.0004","13.4289","0.0004","90","","92.471","0.002","90","","2363.42","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl F6 N12 O5 -","- C16 H19 Cl F6 N12 O5 -","- C64 H76 Cl4 F24 N48 O20 -","4","1","","Rodriguez, Rodrigo A.; Barrios Steed, Danielle; Kawamata, Yu; Su, Shun; Smith, Peter A.; Steed, Tyler C.; Romesberg, Floyd E.; Baran, Phil S.","Axinellamines as broad-spectrum antibacterial agents: scalable synthesis and biology.","Journal of the American Chemical Society","2014","136","43","15403","15413","10.1021/ja508632y","","","0.71073","MoKα","","0.0767","0.0417","","","0.087","0.0992","","","","","","1.012","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122822","24.4088","0.0015","6.4226","0.0004","16.4976","0.001","90","","107.496","0.002","90","","2466.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 O4 P2 -","- C28 H28 O4 P2 -","- C112 H112 O16 P8 -","4","0.5","","Molitor, Sebastian; Becker, Julia; Gessner, Viktoria H.","Selective dehydrocoupling of phosphines by lithium chloride carbenoids.","Journal of the American Chemical Society","2014","136","44","15517","15520","10.1021/ja509381w","","","0.71073","MoKα","","0.0331","0.0289","","","0.0799","0.0834","","","","","","1.032","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122823","22.001","0.003","6.2497","0.0017","21.876","0.004","90","","94.39","0.006","90","","2999.1","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 N4 P2 -","- C32 H40 N4 P2 -","- C128 H160 N16 P8 -","4","0.5","","Molitor, Sebastian; Becker, Julia; Gessner, Viktoria H.","Selective dehydrocoupling of phosphines by lithium chloride carbenoids.","Journal of the American Chemical Society","2014","136","44","15517","15520","10.1021/ja509381w","","","0.71073","MoKα","","0.0455","0.0357","","","0.0794","0.0845","","","","","","1.078","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122824","10.008","0.0007","9.9556","0.0007","12.4143","0.0009","90","","112.631","0.002","90","","1141.67","0.14","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 P2 -","- C28 H28 P2 -","- C56 H56 P4 -","2","0.5","","Molitor, Sebastian; Becker, Julia; Gessner, Viktoria H.","Selective dehydrocoupling of phosphines by lithium chloride carbenoids.","Journal of the American Chemical Society","2014","136","44","15517","15520","10.1021/ja509381w","","","0.71073","MoKα","","0.0338","0.0289","","","0.0716","0.0754","","","","","","1.018","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122825","5.1968","0.0002","5.1968","0.0002","13.9363","0.0005","90","","90","","120","","325.95","0.02","300","","300","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Fe O3 Sc -","- Fe O3 Sc -","- Fe6 O18 Sc6 -","6","0.333333","","Kawamoto, Takahiro; Fujita, Koji; Yamada, Ikuya; Matoba, Tomohiko; Kim, Sung Joo; Gao, Peng; Pan, Xiaoqing; Findlay, Scott D.; Tassel, Cédric; Kageyama, Hiroshi; Studer, Andrew J.; Hester, James; Irifune, Tetsuo; Akamatsu, Hirofumi; Tanaka, Katsuhisa","Room-Temperature Polar Ferromagnet ScFeO3 Transformed from a High-Pressure Orthorhombic Perovskite Phase.","Journal of the American Chemical Society","2014","136","43","15291","15299","10.1021/ja507958z","powder diffraction","","0.41912","","","0.00635","","","","","","0.00633","0.01306","0.7877","","","","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122826","9","0.0018","15","0.003","17","0.003","83","0.03","77","0.03","87","0.03","2218.8","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H88 Mg2 N4 O16 -","- C102 H88 Mg2 N4 O16 -","- C102 H88 Mg2 N4 O16 -","1","0.5","","Guo, Yuexin; Feng, Xiao; Han, Tianyu; Wang, Shan; Lin, Zhengguo; Dong, Yuping; Wang, Bo","Tuning the luminescence of metal-organic frameworks for detection of energetic heterocyclic compounds.","Journal of the American Chemical Society","2014","136","44","15485","15488","10.1021/ja508962m","","","0.71073","MoKα","","0.0498","0.0409","","","0.1076","0.114","","","","","","1.031","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122827","6","0.0012","7","0.0014","17.544","0.003","97.67","0.03","96.82","0.03","96","0.03","719.6","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 N2 Ni O6 -","- C36 H34 N2 Ni O6 -","- C36 H34 N2 Ni O6 -","1","0.5","","Guo, Yuexin; Feng, Xiao; Han, Tianyu; Wang, Shan; Lin, Zhengguo; Dong, Yuping; Wang, Bo","Tuning the luminescence of metal-organic frameworks for detection of energetic heterocyclic compounds.","Journal of the American Chemical Society","2014","136","44","15485","15488","10.1021/ja508962m","","","0.71073","MoKα","","0.032","0.0294","","","0.0745","0.0758","","","","","","1.08","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122828","6","0.0012","7","0.0014","17.422","0.003","96.72","0.03","96.87","0.03","96","0.03","716.2","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 Co N2 O6 -","- C36 H34 Co N2 O6 -","- C36 H34 Co N2 O6 -","1","0.5","","Guo, Yuexin; Feng, Xiao; Han, Tianyu; Wang, Shan; Lin, Zhengguo; Dong, Yuping; Wang, Bo","Tuning the luminescence of metal-organic frameworks for detection of energetic heterocyclic compounds.","Journal of the American Chemical Society","2014","136","44","15485","15488","10.1021/ja508962m","","","0.71073","MoKα","","0.0309","0.0291","","","0.0773","0.0785","","","","","","1.087","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122829","16.1791","0.0013","9.7736","0.0008","16.939","0.0013","90","","92.285","0.002","90","","2676.4","0.4","140","2","140","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H33 Cl2 Co N3 O -","- C29 H33 Cl2 Co N3 O -","- C116 H132 Cl8 Co4 N12 O4 -","4","2","","Zhang, Lei; Zuo, Ziqing; Wan, Xiaolong; Huang, Zheng","Cobalt-catalyzed enantioselective hydroboration of 1,1-disubstituted aryl alkenes.","Journal of the American Chemical Society","2014","136","44","15501","15504","10.1021/ja5093908","","","0.71073","MoKα","","0.0862","0.0516","","","0.0993","0.1198","","","","","","0.984","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122830","14.2134","0.0005","22.5695","0.0008","16.1066","0.0006","90","","95.976","0.001","90","","5138.7","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","NiCl(C2Cl5)(CNArMes2)2","","","- C54 H54 Cl6 N2 Ni O0.5 -","- C54 H54 Cl6 N2 Ni O0.5 -","- C216 H216 Cl24 N8 Ni4 O2 -","4","1","","Carpenter, Alex E.; McNeece, Andrew J.; Barnett, Brandon R.; Estrada, Alexander L.; Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Perrin, Charles L.; Figueroa, Joshua S.","Direct Observation of β-Chloride Elimination from an Isolable β-Chloroalkyl Complex of Square-Planar Nickel.","Journal of the American Chemical Society","2014","136","44","15481","15484","10.1021/ja508956q","","x-ray","0.71073","MoKα","","0.0555","0.0404","","","0.1","0.108","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122831","12.3698","0.001","14.649","0.0012","16.2882","0.0014","69.508","0.003","70.124","0.003","68.086","0.003","2489.4","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","NiCl2(CNArMes2)2","","","- C58.25 H59.375 Cl2 F1.125 N2 Ni O0.375 -","- C58.25 H59.375 Cl2 F1.125 N2 Ni O0.375 -","- C116.5 H118.75 Cl4 F2.25 N4 Ni2 O0.75 -","2","1","","Carpenter, Alex E.; McNeece, Andrew J.; Barnett, Brandon R.; Estrada, Alexander L.; Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Perrin, Charles L.; Figueroa, Joshua S.","Direct Observation of β-Chloride Elimination from an Isolable β-Chloroalkyl Complex of Square-Planar Nickel.","Journal of the American Chemical Society","2014","136","44","15481","15484","10.1021/ja508956q","","x-ray","0.71073","MoKα","","0.0943","0.0473","","","0.0918","0.1055","","","","","","1.003","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122832","17.0333","0.0009","12.9995","0.0008","29.635","0.0019","90","","105.552","0.0017","90","","6321.7","0.7","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pd(eta2-C2Cl4)(CNArDipp2)2","","","- C71.5 H92 Cl4 N2 Pd -","- C64 H74 Cl4 N2 Pd -","- C256 H296 Cl16 N8 Pd4 -","4","0.5","","Carpenter, Alex E.; McNeece, Andrew J.; Barnett, Brandon R.; Estrada, Alexander L.; Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Perrin, Charles L.; Figueroa, Joshua S.","Direct Observation of β-Chloride Elimination from an Isolable β-Chloroalkyl Complex of Square-Planar Nickel.","Journal of the American Chemical Society","2014","136","44","15481","15484","10.1021/ja508956q","","x-ray","0.71073","MoKα","","0.0672","0.0439","","","0.0939","0.1009","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122833","5.7265","0.0002","12.1931","0.0003","22.4695","0.0005","90","","90","","90","","1568.91","0.08","90","2","90.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","","Soldi, Cristian; Lamb, Kellan N.; Squitieri, Richard A.; González-López, Marcos; Di Maso, Michael J.; Shaw, Jared T.","Enantioselective intramolecular C-h insertion reactions of donor-donor metal carbenoids.","Journal of the American Chemical Society","2014","136","43","15142","15145","10.1021/ja508586t","","","1.54178","CuKα","","0.0362","0.0314","","","0.0729","0.075","","","","","","1.085","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122834","8.5218","0.0004","11.618","0.0005","17.0886","0.0007","87.451","0.001","83.151","0.001","81.44","0.001","1660.48","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C72 H84 N4 O12 S4 -","4","2","","Tlais, Sami F.; Danheiser, Rick L.","N-tosyl-3-azacyclohexyne. Synthesis and chemistry of a strained cyclic ynamide.","Journal of the American Chemical Society","2014","136","44","15489","15492","10.1021/ja509055r","","","0.71073","MoKα","","0.0473","0.0367","","","0.0902","0.0973","","","","","","1.031","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122835","8.8244","0.0012","10.6363","0.0015","17.548","0.002","95.353","0.002","96.262","0.002","111.638","0.002","1505.9","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H42 Co N2 O Si2 -","- C29 H42 Co N2 O Si2 -","- C58 H84 Co2 N4 O2 Si4 -","2","1","","Zhang, Long; Liu, Yuesheng; Deng, Liang","Three-Coordinate Cobalt(IV) and Cobalt(V) Imido Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Structure, and Their Distinct Reactivity in C-H Bond Amination.","Journal of the American Chemical Society","2014","136","44","15525","15528","10.1021/ja509731z","","","0.71073","MoKα","","0.0744","0.0486","","","0.1307","0.1632","","","","","","1.049","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122836","16.843","0.003","16.843","0.003","28.286","0.005","90","","90","","90","","8024","2","140","2","140","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C45 H58 Co N4 -","- C45 H58 Co N4 -","- C360 H464 Co8 N32 -","8","0.5","","Zhang, Long; Liu, Yuesheng; Deng, Liang","Three-Coordinate Cobalt(IV) and Cobalt(V) Imido Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Structure, and Their Distinct Reactivity in C-H Bond Amination.","Journal of the American Chemical Society","2014","136","44","15525","15528","10.1021/ja509731z","","","0.71073","MoKα","","0.0725","0.0377","","","0.0844","0.0997","","","","","","1.019","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122837","35.0267","0.0011","22.8219","0.0011","19.3509","0.0007","90","","103.123","0.002","90","","15064.7","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C77 H70 B Co F24 N4 -","- C77 H70 B Co F24 N4 -","- C616 H560 B8 Co8 F192 N32 -","8","1","","Zhang, Long; Liu, Yuesheng; Deng, Liang","Three-Coordinate Cobalt(IV) and Cobalt(V) Imido Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Structure, and Their Distinct Reactivity in C-H Bond Amination.","Journal of the American Chemical Society","2014","136","44","15525","15528","10.1021/ja509731z","","","0.71073","MoKα","","0.1215","0.0704","","","0.1753","0.2088","","","","","","1.076","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122838","12.0254","0.0016","17.359","0.002","21.162","0.003","110.953","0.003","94.896","0.003","102.582","0.002","3961.3","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H58 Co N4 -","- C45 H58 Co N4 -","- C180 H232 Co4 N16 -","4","2","","Zhang, Long; Liu, Yuesheng; Deng, Liang","Three-Coordinate Cobalt(IV) and Cobalt(V) Imido Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Structure, and Their Distinct Reactivity in C-H Bond Amination.","Journal of the American Chemical Society","2014","136","44","15525","15528","10.1021/ja509731z","","","0.71073","MoKα","","0.1293","0.0602","","","0.1369","0.1719","","","","","","0.954","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122839","15.7932","0.0016","13.3261","0.0013","10.5524","0.0011","90","","102.516","0.002","90","","2168.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Br2 N O4 -","- C23 H19 Br2 N O4 -","- C92 H76 Br8 N4 O16 -","4","1","","Fukui, Yuki; Liu, Ping; Liu, Qiang; He, Zhi-Tao; Wu, Nuo-Yi; Tian, Ping; Lin, Guo-Qiang","Tunable Arylative Cyclization of 1,6-Enynes Triggered by Rhodium(III)-Catalyzed C-H Activation.","Journal of the American Chemical Society","2014","136","44","15607","15614","10.1021/ja5072702","","","0.71073","MoKα","","0.069","0.0454","","","0.1077","0.1194","","","","","","1.02","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122840","12.17","0.003","16.366","0.004","7.4816","0.0018","90","","101.97","0.005","90","","1457.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Br N O3 -","- C17 H14 Br N O3 -","- C68 H56 Br4 N4 O12 -","4","1","","Fukui, Yuki; Liu, Ping; Liu, Qiang; He, Zhi-Tao; Wu, Nuo-Yi; Tian, Ping; Lin, Guo-Qiang","Tunable Arylative Cyclization of 1,6-Enynes Triggered by Rhodium(III)-Catalyzed C-H Activation.","Journal of the American Chemical Society","2014","136","44","15607","15614","10.1021/ja5072702","","","0.71073","MoKα","","0.0454","0.035","","","0.0819","0.0868","","","","","","1.04","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122841","12.945","0.002","7.1669","0.0013","14.497","0.003","90","","114.553","0.003","90","","1223.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Xu, Ren-Qi; Gu, Qing; Wu, Wen-Ting; Zhao, Zhuo-An; You, Shu-Li","Construction of Erythrinane Skeleton via Pd(0)-Catalyzed Intramolecular Dearomatization of para-Aminophenols.","Journal of the American Chemical Society","2014","136","44","15469","15472","10.1021/ja508645j","","","0.71073","MoKα","","0.0678","0.0552","","","0.1343","0.1443","","","","","","1.018","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122842","18.063","0.003","11.0258","0.0016","20.374","0.003","90","","110.097","0.002","90","","3810.6","1","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 B10 -","- C16 H22 B10 -","- C128 H176 B80 -","8","1","","Quan, Yangjian; Xie, Zuowei","Iridium Catalyzed Regioselective Cage Boron Alkenylation of o-Carboranes via Direct Cage B-H Activation.","Journal of the American Chemical Society","2014","136","44","15513","15516","10.1021/ja509557j","","","0.71073","MoKα","","0.1021","0.0526","","","0.1222","0.1505","","","","","","1.013","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122843","10.3898","0.001","28.77","0.003","9.6471","0.001","90","","117.068","0.002","90","","2567.8","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 B10 O4 -","- C22 H30 B10 O4 -","- C88 H120 B40 O16 -","4","1","","Quan, Yangjian; Xie, Zuowei","Iridium Catalyzed Regioselective Cage Boron Alkenylation of o-Carboranes via Direct Cage B-H Activation.","Journal of the American Chemical Society","2014","136","44","15513","15516","10.1021/ja509557j","","","0.71073","MoKα","","0.0946","0.0634","","","0.1877","0.2124","","","","","","1.092","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122844","6.6623","0.0004","11.3564","0.0007","12.8542","0.0008","69.376","0.001","75.686","0.001","78.945","0.001","876.07","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H20 B10 O2 -","- C13 H20 B10 O2 -","- C26 H40 B20 O4 -","2","1","","Quan, Yangjian; Xie, Zuowei","Iridium Catalyzed Regioselective Cage Boron Alkenylation of o-Carboranes via Direct Cage B-H Activation.","Journal of the American Chemical Society","2014","136","44","15513","15516","10.1021/ja509557j","","","0.71073","MoKα","","0.0527","0.043","","","0.1158","0.1228","","","","","","1.041","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122845","9.3691","0.0007","9.8429","0.0008","13.8368","0.0011","73.574","0.002","82.746","0.002","76.124","0.002","1185.88","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H33 B10 Ir O3 S -","- C16 H33 B10 Ir O3 S -","- C32 H66 B20 Ir2 O6 S2 -","2","1","","Quan, Yangjian; Xie, Zuowei","Iridium Catalyzed Regioselective Cage Boron Alkenylation of o-Carboranes via Direct Cage B-H Activation.","Journal of the American Chemical Society","2014","136","44","15513","15516","10.1021/ja509557j","","","0.71073","MoKα","","0.0351","0.033","","","0.0899","0.0906","","","","","","1.195","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122846","11.116","0.003","16.755","0.004","9.432","0.003","90","","103.049","0.004","90","","1711.3","0.8","230","2","230","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N3 -","- C21 H19 N3 -","- C84 H76 N12 -","4","1","","Longstreet, Ashley R.; Jo, Minyoung; Chandler, Rebecca R.; Hanson, Kenneth; Zhan, Naiqian; Hrudka, Jeremy J.; Mattoussi, Hedi; Shatruk, Michael; McQuade, D. Tyler","Ylidenemalononitrile enamines as fluorescent ""turn-on"" indicators for primary amines.","Journal of the American Chemical Society","2014","136","44","15493","15496","10.1021/ja509058u","","","0.71073","MoKα","","0.069","0.0423","","","0.1011","0.1155","","","","","","1.021","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122847","7.7043","0.0009","15.9073","0.0019","15.9426","0.0019","90","","90","","90","","1953.8","0.4","230","2","230","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H13 N3 -","- C10 H13 N3 -","- C80 H104 N24 -","8","1","","Longstreet, Ashley R.; Jo, Minyoung; Chandler, Rebecca R.; Hanson, Kenneth; Zhan, Naiqian; Hrudka, Jeremy J.; Mattoussi, Hedi; Shatruk, Michael; McQuade, D. Tyler","Ylidenemalononitrile enamines as fluorescent ""turn-on"" indicators for primary amines.","Journal of the American Chemical Society","2014","136","44","15493","15496","10.1021/ja509058u","","","0.71073","MoKα","","0.0493","0.0409","","","0.1143","0.1231","","","","","","1.011","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122848","18.731","0.002","8.154","0.001","19.066","0.002","90","","90","","90","","2912","0.6","125","2","125","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C48 H24 -","- C48 H24 -","- C192 H96 -","4","0.5","","Hiszpanski, Anna M.; Baur, Robin M.; Kim, Bumjung; Tremblay, Noah J.; Nuckolls, Colin; Woll, Arthur R.; Loo, Yueh-Lin","Tuning Polymorphism and Orientation in Organic Semiconductor Thin Films via Post-deposition Processing.","Journal of the American Chemical Society","2014","136","44","15749","15756","10.1021/ja5091035","","","0.71073","MoKα","","0.1525","0.0618","","","0.1068","0.1359","","","","","","1","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122849","12.2985","0.0019","7.9282","0.0012","13.998","0.002","90","","90.123","0.002","90","","1364.9","0.4","125","2","125","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C48 H24 -","- C48 H24 -","- C96 H48 -","2","0.5","","Hiszpanski, Anna M.; Baur, Robin M.; Kim, Bumjung; Tremblay, Noah J.; Nuckolls, Colin; Woll, Arthur R.; Loo, Yueh-Lin","Tuning Polymorphism and Orientation in Organic Semiconductor Thin Films via Post-deposition Processing.","Journal of the American Chemical Society","2014","136","44","15749","15756","10.1021/ja5091035","","","0.71073","MoKα","","0.1164","0.0577","","","0.1202","0.1426","","","","","","1.018","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122850","21.4604","0.0015","21.6292","0.0015","22.0437","0.0017","88.052","0.002","64.744","0.002","60.903","0.003","7888.8","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C176 H328 Ag62 B2 S44 -","- C176 H328 Ag62 B2 S44 -","- C176 H328 Ag62 B2 S44 -","1","0.5","","Jin, Shan; Wang, Shuxin; Song, Yongbo; Zhou, Meng; Zhong, Juan; Zhang, Jun; Xia, Andong; Pei, Yong; Chen, Man; Li, Peng; Zhu, Manzhou","Crystal Structure and Optical Properties of the [Ag62S12(SBu(t))32](2+) Nanocluster with a Complete Face-Centered Cubic Kernel.","Journal of the American Chemical Society","2014","136","44","15559","15565","10.1021/ja506773d","","","0.71073","MoKα","","0.0655","0.0607","","","0.1505","0.1571","","","","","","1.066","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122851","23.5482","0.0016","23.548","","31.983","0.002","90","","90","","90","","17735","1.6","296","2","296","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C100 H52 In3 N4 O16 -","- C100 H52 In3 N4 O16 -","- C200 H104 In6 N8 O32 -","2","0.25","","Johnson, Jacob A.; Zhang, Xu; Reeson, Tyler C.; Chen, Yu-Sheng; Zhang, Jian","Facile Control of the Charge Density and Photocatalytic Activity of an Anionic Indium Porphyrin Framework via in Situ Metalation.","Journal of the American Chemical Society","2014","","","141028135635006","","10.1021/ja5092672","","","0.41329","Synchrotron","","0.1437","0.0958","","","0.279","0.3034","","","","","","0.952","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122852","23.881","0.002","23.915","0.002","28.808","0.002","90","","90","","90","","16453","2","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C100 H52 In3 N4 O16 -","- C100 H52 In3 N4 O16 -","- C200 H104 In6 N8 O32 -","2","0.25","","Johnson, Jacob A.; Zhang, Xu; Reeson, Tyler C.; Chen, Yu-Sheng; Zhang, Jian","Facile Control of the Charge Density and Photocatalytic Activity of an Anionic Indium Porphyrin Framework via in Situ Metalation.","Journal of the American Chemical Society","2014","","","141028135635006","","10.1021/ja5092672","","","0.4428","Synchrotron","","0.1738","0.099","","","0.2567","0.2858","","","","","","0.887","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122853","6.7128","0.0002","9.2273","0.0004","22.4255","0.0009","86.47","0.002","83.099","0.0014","89.5329","0.0017","1376.38","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C34 H41 N O -","- C34 H41 N O -","- C68 H82 N2 O2 -","2","2","","Zhu, Shaolin; Buchwald, Stephen L.","Enantioselective CuH-Catalyzed Anti-Markovnikov Hydroamination of 1,1-Disubstituted Alkenes.","Journal of the American Chemical Society","2014","","","141029103858000","","10.1021/ja509786v","","","1.54178","CuKα","","0.0309","0.0305","","","0.0838","0.0841","","","","","","1.066","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122854","10.4142","0.0004","22.9367","0.0007","13.8197","0.0007","90","","106.992","0.005","90","","3157","0.2","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H88 B2 Br2 Mn2 N4 O2 -","- C60 H88 B2 Br2 Mn2 N4 O2 -","- C120 H176 B4 Br4 Mn4 N8 O4 -","2","0.5","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","0.71073","MoKα","","0.0649","0.0426","","","0.0947","0.1068","","","","","","1.039","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122855","14.73","0.0002","17.6322","0.0002","26.2218","0.0004","90","","90","","90","","6810.39","0.16","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H41 B Cr N2 O6 -","- C34 H41 B Cr N2 O6 -","- C272 H328 B8 Cr8 N16 O48 -","8","1","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","1.5418","CuKα","","0.0419","0.0377","","0.0959","0.0934","0.0959","","","","","","1.0121","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122856","18.1928","0.0001","8.7226","0.0001","19.6128","0.0001","90","","90","","90","","3112.33","0.04","150","","150","","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C31 H36 B Mn N2 O5 -","- C31 H36 B Mn N2 O5 -","- C124 H144 B4 Mn4 N8 O20 -","4","0.5","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","1.5418","CuKα","","0.0251","0.0243","","0.0674","0.0667","0.0674","","","","","","0.9873","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122857","10.5864","0.0002","16.1312","0.0004","20.7425","0.0005","69.554","0.002","78.5898","0.0019","85.9673","0.0018","3253.47","0.14","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 B N2 O6 Re -","- C32 H36 B N2 O6 Re -","- C128 H144 B4 N8 O24 Re4 -","4","2","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","1.5418","CuKα","","0.0317","0.0301","","0.0823","0.0807","0.0823","","","","","","1.0004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122858","11.2399","0.0001","13.8423","0.0001","20.2363","0.0002","90","","90","","90","","3148.49","0.05","150","","150","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C31 H36 B N2 O5 Re -","- C31 H36 B N2 O5 Re -","- C124 H144 B4 N8 O20 Re4 -","4","0.25","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","1.5418","CuKα","","0.0183","0.0183","","0.0483","0.0483","0.0483","","","","","","1.0251","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122859","10.5899","0.0001","10.6149","0.0001","14.9425","0.0002","104.508","0.0005","93.2151","0.0006","99.4456","0.0006","1595.76","0.03","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H41 B Fe N2 O3 -","- C34 H41 B Fe N2 O3 -","- C68 H82 B2 Fe2 N4 O6 -","2","1","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","0.71073","MoKα","","0.0498","0.0393","","0.0962","0.0842","0.0962","","","","","","0.9136","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122860","15.1999","0.0001","36.2208","0.0003","12.2597","0.0001","90","","105.802","0.0005","90","","6494.52","0.09","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H41 B Fe N2 O2 -","- C33 H41 B Fe N2 O2 -","- C264 H328 B8 Fe8 N16 O16 -","8","1","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","0.71073","MoKα","","0.0534","0.039","","0.1087","0.0928","0.1087","","","","","","0.9342","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122861","10.7633","0.0002","17.1573","0.0004","19.4817","0.0004","90","","98.4399","0.0019","90","","3558.71","0.13","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H48 B Fe N2 O2 S -","- C37 H48 B Fe N2 O2 S -","- C148 H192 B4 Fe4 N8 O8 S4 -","4","1","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","1.5418","CuKα","","0.0553","0.0493","","0.1352","0.1298","0.1352","","","","","","0.9902","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122862","14.1205","0.0004","13.8672","0.0004","14.9082","0.0004","90","","98.874","0.003","90","","2884.26","0.14","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 B Co3 O10 -","- C28 H22 B Co3 O10 -","- C112 H88 B4 Co12 O40 -","4","1","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","1.5418","CuKα","","0.0543","0.0393","","0.098","0.089","0.0979","","","","","","0.9948","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122863","10.3904","0.0001","16.1108","0.0001","27.8515","0.0003","90","","98.9535","0.0004","90","","4605.47","0.07","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H51 B Co N2 O3 P -","- C47 H51 B Co N2 O3 P -","- C188 H204 B4 Co4 N8 O12 P4 -","4","1","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","0.71073","MoKα","","0.0847","0.051","","0.1432","0.1138","0.1432","","","","","","0.9829","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122864","7.632","0.0002","7.9748","0.0002","17.8334","0.0005","90","","90","","90","","1085.41","0.05","100","","100","","","","","","","","see paper","3","P 21 21 21","P 2ac 2ab","19","","Title","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Mailhol, Damien; Willwacher, Jens; Kausch-Busies, Nina; Rubitski, Elizabeth E.; Sobol, Zhanna; Schuler, Maik; Lam, My-Hanh; Musto, Sylvia; Loganzo, Frank; Maderna, Andreas; Fürstner, Alois","Synthesis, molecular editing, and biological assessment of the potent cytotoxin leiodermatolide.","Journal of the American Chemical Society","2014","136","44","15719","15729","10.1021/ja508846g","","","1.54178","Cu-Kα","","0.031","0.0291","","","0.0705","0.0714","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122865","8.7417","0.0005","18.3901","0.0009","21.568","0.0011","90","","90","","90","","3467.3","0.3","100","","100","","","","","","","","dichloromethane,diethylether","4","P 21 21 21","P 2ac 2ab","19","","Title","","- C34 H53 N O9 -","- C34 H53 N O9 -","- C136 H212 N4 O36 -","4","1","","Mailhol, Damien; Willwacher, Jens; Kausch-Busies, Nina; Rubitski, Elizabeth E.; Sobol, Zhanna; Schuler, Maik; Lam, My-Hanh; Musto, Sylvia; Loganzo, Frank; Maderna, Andreas; Fürstner, Alois","Synthesis, molecular editing, and biological assessment of the potent cytotoxin leiodermatolide.","Journal of the American Chemical Society","2014","136","44","15719","15729","10.1021/ja508846g","","","1.54178","Cu-Kα","","0.0284","0.0274","","","0.0666","0.0673","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122866","24.4345","0.0015","25.6731","0.0016","28.6611","0.0017","82.922","0.003","66.366","0.004","72.449","0.003","15704.5","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C256 H172.5 F48 Fe4 N24.5 P8 -","- C256 H172.5 F48 Fe4 N24.5 P8 -","- C512 H345 F96 Fe8 N49 P16 -","2","1","","Ronson, Tanya K.; League, Aaron B.; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Pyrene-Edged Fe(II)4L6 Cages Adaptively Reconfigure During Guest Binding.","Journal of the American Chemical Society","2014","136","44","15615","15624","10.1021/ja507617h","","","0.6889","synchrotron","","0.1417","0.1016","","","0.2795","0.3111","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122867","15.839","0.004","25.104","0.005","25.353","0.005","70.598","0.003","88.362","0.003","89.674","0.003","9504","4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C276 H394 F54 N18 O108 Rh18 S18 -","- C268 H306 F42 N18 O90 Rh18 S14 -","- C268 H306 F42 N18 O90 Rh18 S14 -","1","0.5","","Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin","Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.","Journal of the American Chemical Society","2014","136","44","15521","15524","10.1021/ja5096914","","","0.71073","MoKα","","0.2","0.1237","","","0.3392","0.383","","","","","","1.124","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122868","18.8903","0.0019","19.91","0.002","24.123","0.003","100.142","0.002","95.751","0.002","95.281","0.002","8830.2","1.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C274 H398 F24 N28 O104 Rh18 S8 -","- C260 H300 F18 N28 O86 Rh18 S6 -","- C260 H300 F18 N28 O86 Rh18 S6 -","1","0.5","","Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin","Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.","Journal of the American Chemical Society","2014","136","44","15521","15524","10.1021/ja5096914","","","0.71073","MoKα","","0.1072","0.0728","","","0.2054","0.2456","","","","","","0.886","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122869","16.6973","0.0012","17.2047","0.0012","17.8926","0.0013","65.351","0.001","71.501","0.001","62.58","0.001","4096.6","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H64 F18 Ir3 K3 N8 O22 S6 -","- C56 H61 F18 Ir3 K3 N8 O22 S6 -","- C112 H122 F36 Ir6 K6 N16 O44 S12 -","2","1","","Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin","Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.","Journal of the American Chemical Society","2014","136","44","15521","15524","10.1021/ja5096914","","","0.71073","MoKα","","0.0527","0.0355","","","0.0846","0.1163","","","","","","1.107","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122870","11.8675","0.0012","17.6975","0.0017","20.619","0.002","113.598","0.001","91.896","0.001","98.774","0.002","3900.7","0.7","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C110 H128 F30 K2 N16 O38 Rh6 S10 Zn -","- C110 H122 F30 K2 N16 O38 Rh6 S10 Zn -","- C110 H122 F30 K2 N16 O38 Rh6 S10 Zn -","1","0.5","","Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin","Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.","Journal of the American Chemical Society","2014","136","44","15521","15524","10.1021/ja5096914","","","0.71073","MoKα","","0.0902","0.0709","","","0.214","0.2468","","","","","","1.08","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122871","7.9644","0.0007","15.4104","0.0014","21.4544","0.0019","104.205","0.001","97.878","0.001","103.111","0.001","2433.8","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H61 Cl4 Li N3 O7 Rh3 -","- C42 H57 Cl4 Li N3 O6 Rh3 -","- C84 H114 Cl8 Li2 N6 O12 Rh6 -","2","1","","Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin","Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.","Journal of the American Chemical Society","2014","136","44","15521","15524","10.1021/ja5096914","","","0.71073","MoKα","","0.0432","0.0358","","","0.127","0.1435","","","","","","1.081","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122872","22.644","0.0015","22.644","0.0015","20.7045","0.0014","90","","90","","120","","9193.9","1.1","173","2","173","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C131 H180 F15 N16 O51 Rh9 S5 -","- C126 H156 N16 O24 Rh9 -","- C252 H312 N32 O48 Rh18 -","2","0.333333","","Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin","Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.","Journal of the American Chemical Society","2014","136","44","15521","15524","10.1021/ja5096914","","","0.71073","MoKα","","0.0675","0.0486","","","0.1264","0.1373","","","","","","0.969","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122873","18.253","0.003","14.801","0.002","17.422","0.002","90","","90","","90","","4706.8","1.1","120","2","120","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C45 H42 B Co F3 Fe N15 O4 S -","- C42 H35 B Co F3 Fe N14 O3 S -","- C168 H140 B4 Co4 F12 Fe4 N56 O12 S4 -","4","0.5","","Koumousi, Evangelia S.; Jeon, Ie-Rang; Gao, Qian; Dechambenoit, Pierre; Woodruff, Daniel N.; Merzeau, Pascal; Buisson, Lionel; Jia, Xiaolu; Li, Dongfeng; Volatron, Florence; Mathonière, Corine; Clérac, Rodolphe","Metal-to-Metal Electron Transfer in Co/Fe Prussian Blue Molecular Analogues: The Ultimate Miniaturization.","Journal of the American Chemical Society","2014","136","44","15461","15464","10.1021/ja508094h","","","0.71073","MoKα","","0.0604","0.052","","","0.1396","0.143","","","","","","1.176","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122874","18.6572","0.0009","15.2008","0.0008","17.5964","0.0009","90","","90","","90","","4990.4","0.4","90","2","90","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C48 H49 B Co F3 Fe N16 O5 S -","- C48 H35 B Co F3 Fe N16 O5 S -","- C192 H140 B4 Co4 F12 Fe4 N64 O20 S4 -","4","0.5","","Koumousi, Evangelia S.; Jeon, Ie-Rang; Gao, Qian; Dechambenoit, Pierre; Woodruff, Daniel N.; Merzeau, Pascal; Buisson, Lionel; Jia, Xiaolu; Li, Dongfeng; Volatron, Florence; Mathonière, Corine; Clérac, Rodolphe","Metal-to-Metal Electron Transfer in Co/Fe Prussian Blue Molecular Analogues: The Ultimate Miniaturization.","Journal of the American Chemical Society","2014","136","44","15461","15464","10.1021/ja508094h","","","0.71073","MoKα","","0.1155","0.0992","","","0.2348","0.2431","","","","","","1.229","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122875","18.3266","0.0015","14.898","0.0011","17.4326","0.0014","90","","90","","90","","4759.6","0.6","120","2","120","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C45 H42 B Co F3 Fe N15 O4 S -","- C42 H35 B Co F3 Fe N14 O3 S -","- C168 H140 B4 Co4 F12 Fe4 N56 O12 S4 -","4","0.5","","Koumousi, Evangelia S.; Jeon, Ie-Rang; Gao, Qian; Dechambenoit, Pierre; Woodruff, Daniel N.; Merzeau, Pascal; Buisson, Lionel; Jia, Xiaolu; Li, Dongfeng; Volatron, Florence; Mathonière, Corine; Clérac, Rodolphe","Metal-to-Metal Electron Transfer in Co/Fe Prussian Blue Molecular Analogues: The Ultimate Miniaturization.","Journal of the American Chemical Society","2014","136","44","15461","15464","10.1021/ja508094h","","","0.71073","MoKα","","0.0715","0.0656","","","0.1806","0.184","","","","","","1.161","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122876","18.843","0.003","15.396","0.002","17.67","0.003","90","","90","","90","","5126.2","1.4","180","2","180","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C48 H49 B Co F3 Fe N16 O5 S -","- C48 H35 B Co F3 Fe N16 O5 S -","- C192 H140 B4 Co4 F12 Fe4 N64 O20 S4 -","4","0.5","","Koumousi, Evangelia S.; Jeon, Ie-Rang; Gao, Qian; Dechambenoit, Pierre; Woodruff, Daniel N.; Merzeau, Pascal; Buisson, Lionel; Jia, Xiaolu; Li, Dongfeng; Volatron, Florence; Mathonière, Corine; Clérac, Rodolphe","Metal-to-Metal Electron Transfer in Co/Fe Prussian Blue Molecular Analogues: The Ultimate Miniaturization.","Journal of the American Chemical Society","2014","136","44","15461","15464","10.1021/ja508094h","","","0.71073","MoKα","","0.0691","0.0595","","","0.1642","0.1737","","","","","","1.069","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122877","18.5561","0.0017","15.1628","0.0013","17.78","0.0016","90","","90","","90","","5002.6","0.8","200","2","200","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C45 H42 B Co F3 Fe N15 O4 S -","- C42 H35 B Co F3 Fe N14 O3 S -","- C168 H140 B4 Co4 F12 Fe4 N56 O12 S4 -","4","0.5","","Koumousi, Evangelia S.; Jeon, Ie-Rang; Gao, Qian; Dechambenoit, Pierre; Woodruff, Daniel N.; Merzeau, Pascal; Buisson, Lionel; Jia, Xiaolu; Li, Dongfeng; Volatron, Florence; Mathonière, Corine; Clérac, Rodolphe","Metal-to-Metal Electron Transfer in Co/Fe Prussian Blue Molecular Analogues: The Ultimate Miniaturization.","Journal of the American Chemical Society","2014","136","44","15461","15464","10.1021/ja508094h","","","0.71073","MoKα","","0.0685","0.0649","","","0.1807","0.1828","","","","","","1.183","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122878","10.4253","0.0003","6.4492","0.0002","11.5276","0.0004","90","","110.011","0.001","90","","728.26","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","S2","S2","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Chen, Wenyong; Chen, Ming; Hartwig, John F.","Diastereo- and Enantioselective Iridium-Catalyzed Allylation of Cyclic Ketone Enolates: Synergetic Effect of Ligands and Barium Enolates.","Journal of the American Chemical Society","2014","","","141030073216002","","10.1021/ja506500u","","","1.54178","CuKα","","0.0341","0.0337","","","0.0889","0.0893","","","","","","1.053","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4122879","10.4745","0.0004","13.2976","0.0005","33.3082","0.0013","90","","90","","90","","4639.4","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","S1","S1","","- C30 H32 O -","- C30 H32 O -","- C240 H256 O8 -","8","2","","Chen, Wenyong; Chen, Ming; Hartwig, John F.","Diastereo- and Enantioselective Iridium-Catalyzed Allylation of Cyclic Ketone Enolates: Synergetic Effect of Ligands and Barium Enolates.","Journal of the American Chemical Society","2014","","","141030073216002","","10.1021/ja506500u","","","1.54178","CuKα","","0.0712","0.0673","","","0.1792","0.182","","","","","","1.067","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4122880","10.1015","0.0005","13.0117","0.0006","15.979","0.0008","90","","100.364","0.002","90","","2065.98","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 B N O2 -","- C21 H32 B N O2 -","- C84 H128 B4 N4 O8 -","4","1","","Parra, Alejandro; Amenós, Laura; Guisán-Ceinos, Manuel; López, Aurora; García Ruano, José Luis; Tortosa, Mariola","Copper-Catalyzed Diastereo- and Enantioselective Desymmetrization of Cyclopropenes: Synthesis of Cyclopropylboronates.","Journal of the American Chemical Society","2014","","","141031133923007","","10.1021/ja510419z","","","0.71073","MoKα","","0.1534","0.0907","","","0.2581","0.3097","","","","","","1.033","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122881","10.7904","0.0003","14.1523","0.0004","20.1412","0.0005","90","","97.716","0.001","90","","3047.89","0.14","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","AP588","","","- C19 H18 O2 -","- C19 H18 O2 -","- C152 H144 O16 -","8","1","","Parra, Alejandro; Amenós, Laura; Guisán-Ceinos, Manuel; López, Aurora; García Ruano, José Luis; Tortosa, Mariola","Copper-Catalyzed Diastereo- and Enantioselective Desymmetrization of Cyclopropenes: Synthesis of Cyclopropylboronates.","Journal of the American Chemical Society","2014","","","141031133923007","","10.1021/ja510419z","","","0.71073","","","0.0524","0.0408","","","0.1082","0.1176","","","","","","1.017","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122882","7.134","0.0002","10.6384","0.0003","21.0677","0.0007","90","","90","","90","","1598.92","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","MGC-109","","","- C17 H14 Cl N O4 -","- C17 H14 Cl N O4 -","- C68 H56 Cl4 N4 O16 -","4","1","","Parra, Alejandro; Amenós, Laura; Guisán-Ceinos, Manuel; López, Aurora; García Ruano, José Luis; Tortosa, Mariola","Copper-Catalyzed Diastereo- and Enantioselective Desymmetrization of Cyclopropenes: Synthesis of Cyclopropylboronates.","Journal of the American Chemical Society","2014","","","141031133923007","","10.1021/ja510419z","","","0.71073","","","0.0573","0.0423","","","0.1202","0.138","","","","","","1.018","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122883","12.7865","0.0006","19.9241","0.0009","17.011","0.0007","90","","106.744","0.001","90","","4150","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42.81 H29.34 B Br0.47 F20 O2 -","- C42.8062 H29.3385 B Br0.4677 F20 O2 -","- C171.225 H117.354 B4 Br1.8708 F80 O8 -","4","1","","Mahdi, Tayseer; Stephan, Douglas W.","Enabling Catalytic Ketone Hydrogenation by Frustrated Lewis Pairs.","Journal of the American Chemical Society","2014","","","141031153414000","","10.1021/ja508829x","","","0.71073","MoKα","","0.0758","0.0458","","","0.1009","0.1147","","","","","","1.02","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122884","9.7425","0.0002","13.7693","0.0004","20.5477","0.0006","90","","90","","90","","2756.42","0.13","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 Cl2 N2 O2 Pt S -","- C27 H36 Cl2 N2 O2 Pt S -","- C108 H144 Cl8 N8 O8 Pt4 S4 -","4","1","","Miura, Tomoya; Nakamuro, Takayuki; Liang, Chia-Jung; Murakami, Masahiro","Synthesis of trans-Cycloalkenes via Enantioselective Cyclopropanation and Skeletal Rearrangement.","Journal of the American Chemical Society","2014","","","141031153715006","","10.1021/ja5096045","","","0.71075","MoKα","","0.0352","0.0332","","","0.0702","0.0713","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122885","7.1607","0.0008","10.3859","0.0011","11.0559","0.0012","109.592","0.002","102.758","0.002","94.887","0.002","744.07","0.14","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H21 N O2 S -","- C14 H21 N O2 S -","- C28 H42 N2 O4 S2 -","2","2","","Yu, Chang-Bin; Huang, Wen-Xue; Shi, Lei; Chen, Mu-Wang; Wu, Bo; Zhou, Yong-Gui","Asymmetric Hydrogenation via Capture of Active Intermediates Generated from Aza-Pinacol Rearrangement.","Journal of the American Chemical Society","2014","","","141103063712008","","10.1021/ja5075745","","","0.71073","MoKα","","0.0558","0.0471","","","0.1264","0.1348","","","","","","1.022","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122886","10.0319","0.0005","17.4127","0.0008","11.7886","0.0006","90","","110.653","0.003","90","","1926.92","0.17","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C88 H92 N4 O12 S4 -","4","1","","Hoshimoto, Yoichi; Ohata, Tomoya; Sasaoka, Yukari; Ohashi, Masato; Ogoshi, Sensuke","Nickel(0)-Catalyzed [2 + 2 + 1] Carbonylative Cycloaddition of Imines and Alkynes or Norbornene Leading to γ-Lactams.","Journal of the American Chemical Society","2014","","","141104082258000","","10.1021/ja509171a","","","1.54187","CuKα","","","0.0485","","","","0.138","","","","","","1.102","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122887","17.052","0.004","15.401","0.003","20.091","0.006","90","","98.56","0.011","90","","5217","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 N Ru2 S -","- C27 H35 N Ru2 S -","- C216 H280 N8 Ru16 S8 -","8","2","","Takemoto, Shin; Ohata, Jun; Umetani, Kento; Yamaguchi, Masahiro; Matsuzaka, Hiroyuki","A Diruthenium μ-Carbido Complex That Shows Singlet-Carbene-Like Reactivity.","Journal of the American Chemical Society","2014","","","141104122937002","","10.1021/ja509364d","","","0.71075","MoKα","","0.2255","0.0812","","","0.1309","0.177","","","","","","0.933","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122888","17.093","0.006","15.377","0.005","20.122","0.005","90","","98.35","0.012","90","","5233","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 N Ru2 Se -","- C27 H35 N Ru2 Se -","- C216 H280 N8 Ru16 Se8 -","8","2","","Takemoto, Shin; Ohata, Jun; Umetani, Kento; Yamaguchi, Masahiro; Matsuzaka, Hiroyuki","A Diruthenium μ-Carbido Complex That Shows Singlet-Carbene-Like Reactivity.","Journal of the American Chemical Society","2014","","","141104122937002","","10.1021/ja509364d","","","0.71075","MoKα","","0.2073","0.0943","","","0.2169","0.2654","","","","","","0.993","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122889","11.013","0.008","11.881","0.012","13.538","0.011","73.53","0.03","71.1","0.03","76.21","0.03","1586","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H35 N O2 Ru2 -","- C28 H35 N O2 Ru2 -","- C56 H70 N2 O4 Ru4 -","2","1","","Takemoto, Shin; Ohata, Jun; Umetani, Kento; Yamaguchi, Masahiro; Matsuzaka, Hiroyuki","A Diruthenium μ-Carbido Complex That Shows Singlet-Carbene-Like Reactivity.","Journal of the American Chemical Society","2014","","","141104122937002","","10.1021/ja509364d","","","0.71075","MoKα","","0.2479","0.1206","","","0.2973","0.3783","","","","","","0.985","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122890","16.264","0.006","15.01","0.004","25.756","0.006","90","","103.844","0.013","90","","6105","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H44 N O3 P Ru2 -","- C30 H35 N O3 P Ru2 -","- C240 H280 N8 O24 P8 Ru16 -","8","1","","Takemoto, Shin; Ohata, Jun; Umetani, Kento; Yamaguchi, Masahiro; Matsuzaka, Hiroyuki","A Diruthenium μ-Carbido Complex That Shows Singlet-Carbene-Like Reactivity.","Journal of the American Chemical Society","2014","","","141104122937002","","10.1021/ja509364d","","","0.71075","MoKα","","0.042","0.0322","","","0.0842","0.0897","","","","","","1.048","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122891","16.508","0.0006","9.0189","0.0004","20.058","0.0008","90","","104.827","0.004","90","","2886.9","0.2","101","2","101","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H39 Br O3 -","- C32 H39 Br O3 -","- C128 H156 Br4 O12 -","4","2","","Caruana, Lorenzo; Kniep, Florian; Johansen, Tore Kiilerich; Poulsen, Pernille H.; Jørgensen, Karl Anker","A New Organocatalytic Concept for Asymmetric α-Alkylation of Aldehydes.","Journal of the American Chemical Society","2014","","","141104124641007","","10.1021/ja510475n","","x-ray","0.71073","MoKα","","0.0974","0.0565","","","0.1144","0.135","","","","","","1.0644","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122892","13.212","0.003","37.811","0.008","10.198","0.002","90","","109.57","0.03","90","","4800","2","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44.5 H44 Cl N5 O2 S5 -","- C44.5 H44 Cl N5 O2 S5 -","- C178 H176 Cl4 N20 O8 S20 -","4","0.5","","Zhang, Cheng; Zang, Yaping; Gann, Eliot; McNeill, Christopher R.; Zhu, Xiaozhang; Di, Chong-An; Zhu, Daoben","Two-Dimensional π-Expanded Quinoidal Terthiophenes Terminated with Dicyanomethylenes as n-Type Semiconductors for High-Performance Organic Thin-Film Transistors.","Journal of the American Chemical Society","2014","","","141106072905001","","10.1021/ja510003y","","","0.71073","MoKα","","0.1704","0.1514","","","0.4288","0.4522","","","","","","1.808","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122893","10.3939","0.0009","4.6419","0.0002","11.1181","0.0009","90","","101.161","0.007","90","","526.27","0.07","120","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Methylammonium Lead Iodide Hydrate","","","- C H8 I3 N O Pb -","- C H8 I3 N O Pb -","- C2 H16 I6 N2 O2 Pb2 -","2","0.5","","Hao, Feng; Stoumpos, Constantinos C.; Liu, Zhao; Chang, Robert P. H.; Kanatzidis, Mercouri G.","Controllable Perovskite Crystallization at a Gas‒Solid Interface for Hole Conductor-Free Solar Cells with Steady Power Conversion Efficiency over 10%","Journal of the American Chemical Society","2014","","","141106073145004","","10.1021/ja509245x","","","0.71073","MoKα","","0.0313","0.0254","","","0.0495","0.0506","","","","","","1.021","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122894","4.576","0.0002","25.493","0.0017","12.2186","0.0006","90","","96.065","0.004","90","","1417.39","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Methylammonium Lead Iodide DMF solvate","","","- C4 H13 I3 N2 O Pb -","- C4 H13 I3 N2 O Pb -","- C16 H52 I12 N8 O4 Pb4 -","4","1","","Hao, Feng; Stoumpos, Constantinos C.; Liu, Zhao; Chang, Robert P. H.; Kanatzidis, Mercouri G.","Controllable Perovskite Crystallization at a Gas‒Solid Interface for Hole Conductor-Free Solar Cells with Steady Power Conversion Efficiency over 10%","Journal of the American Chemical Society","2014","","","141106073145004","","10.1021/ja509245x","","","0.71073","MoKα","","0.0626","0.048","","","0.0804","0.0847","","","","","","1.156","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122895","11.298","0.002","13.599","0.003","13.964","0.003","75.51","0.03","86.77","0.03","69.05","0.03","1938.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H39 N4 O5 Pt S2 -","- C41 H39 N4 O5 Pt S2 -","- C82 H78 N8 O10 Pt2 S4 -","2","1","","Browning, Charles; Hudson, Joshua M.; Reinheimer, Eric W.; Kuo, Fang-Ling; McDougald, Jr, Roy N; Rabaâ, Hassan; Pan, Hongjun; Bacsa, John; Wang, Xiaoping; Dunbar, Kim R.; Shepherd, Nigel D.; Omary, Mohammad A.","Synthesis, Spectroscopic Properties, and Photoconductivity of Black Absorbers Consisting of Pt(Bipyridine)(Dithiolate) Charge Transfer Complexes in the Presence and Absence of Nitrofluorenone Acceptors.","Journal of the American Chemical Society","2014","","","141107065104007","","10.1021/ja506583k","","","0.71073","MoKα","","0.0475","0.0352","","","0.0813","0.1032","","","","","","1.099","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122896","52.43","0.006","48.844","0.006","6.7985","0.0008","90","","90","","90","","17410","4","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C44 H41 N5 O7 Pt S2 -","- C44 H41 N5 O7 Pt S2 -","- C704 H656 N80 O112 Pt16 S32 -","16","1","","Browning, Charles; Hudson, Joshua M.; Reinheimer, Eric W.; Kuo, Fang-Ling; McDougald, Jr, Roy N; Rabaâ, Hassan; Pan, Hongjun; Bacsa, John; Wang, Xiaoping; Dunbar, Kim R.; Shepherd, Nigel D.; Omary, Mohammad A.","Synthesis, Spectroscopic Properties, and Photoconductivity of Black Absorbers Consisting of Pt(Bipyridine)(Dithiolate) Charge Transfer Complexes in the Presence and Absence of Nitrofluorenone Acceptors.","Journal of the American Chemical Society","2014","","","141107065104007","","10.1021/ja506583k","","","1.54108","CuKα","","0.0701","0.0556","","","0.1371","0.1438","","","","","","1.017","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122897","11.257","0.002","26.004","0.005","24.165","0.005","90","","92.19","0.03","90","","7069","2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H76 N8 O9 Pt2 S4 -","- C75 H76 N8 O9 Pt2 S4 -","- C300 H304 N32 O36 Pt8 S16 -","4","1","","Browning, Charles; Hudson, Joshua M.; Reinheimer, Eric W.; Kuo, Fang-Ling; McDougald, Jr, Roy N; Rabaâ, Hassan; Pan, Hongjun; Bacsa, John; Wang, Xiaoping; Dunbar, Kim R.; Shepherd, Nigel D.; Omary, Mohammad A.","Synthesis, Spectroscopic Properties, and Photoconductivity of Black Absorbers Consisting of Pt(Bipyridine)(Dithiolate) Charge Transfer Complexes in the Presence and Absence of Nitrofluorenone Acceptors.","Journal of the American Chemical Society","2014","","","141107065104007","","10.1021/ja506583k","","","1.54184","CuKα","","0.2769","0.0931","","","0.1707","0.2442","","","","","","0.919","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122898","23.128","0.002","7.164","0.0006","25.474","0.002","90","","109.19","0.001","90","","3986.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Pt(tdt)(dbbpy)[TENF], 0.5benzene","{(3,4-Toluenedithiolato)-(4,4'-di-t-butyl-2,2'-bipyridine)-platinum(ii)} {2,4,5,7-Tetranitro-9-fluorenone}, half benzene solvate","","- C41 H37 N6 O9 Pt S2 -","- C41 H37 N6 O9 Pt S2 -","- C164 H148 N24 O36 Pt4 S8 -","4","1","","Browning, Charles; Hudson, Joshua M.; Reinheimer, Eric W.; Kuo, Fang-Ling; McDougald, Jr, Roy N; Rabaâ, Hassan; Pan, Hongjun; Bacsa, John; Wang, Xiaoping; Dunbar, Kim R.; Shepherd, Nigel D.; Omary, Mohammad A.","Synthesis, Spectroscopic Properties, and Photoconductivity of Black Absorbers Consisting of Pt(Bipyridine)(Dithiolate) Charge Transfer Complexes in the Presence and Absence of Nitrofluorenone Acceptors.","Journal of the American Chemical Society","2014","","","141107065104007","","10.1021/ja506583k","","","0.71073","MoKα","","0.0833","0.048","","","0.1076","0.1236","","","","","","1.041","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122899","15.657","0.009","20.034","0.011","26.302","0.015","90","","90","","90","","8250","8","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C96 H77 O3 -","- C96 H77 O3 -","- C384 H308 O12 -","4","1","","Matsui, Katsuma; Segawa, Yasutomo; Itami, Kenichiro","All-Benzene Carbon Nanocages: Size-Selective Synthesis, Photophysical Properties, and Crystal Structure.","Journal of the American Chemical Society","2014","","","141107064945005","","10.1021/ja509880v","","","0.71075","MoKα","","0.2632","0.1884","","","0.3944","0.447","","","","","","1.253","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122900","16.9594","0.0002","12.7408","0.0002","7.244","0.0001","90","","94.125","0.001","90","","1561.2","0.04","173","2","172.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 B F2 N4 O -","- C18 H13 B F2 N4 O -","- C72 H52 B4 F8 N16 O4 -","4","1","","Yang, Yin; Hughes, Russell P.; Aprahamian, Ivan","Near-infrared light activated azo-BF2 switches.","Journal of the American Chemical Society","2014","136","38","13190","13193","10.1021/ja508125n","","","1.54178","CuKα","","0.0372","0.0315","","","0.0877","0.0923","","","","","","1.037","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122901","17.6056","0.0013","13.5354","0.001","7.3372","0.0005","90","","100.304","0.001","90","","1720.2","0.2","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 B F2 N5 -","- C19 H16 B F2 N5 -","- C76 H64 B4 F8 N20 -","4","1","","Yang, Yin; Hughes, Russell P.; Aprahamian, Ivan","Near-infrared light activated azo-BF2 switches.","Journal of the American Chemical Society","2014","136","38","13190","13193","10.1021/ja508125n","","","0.71073","MoKα","","0.0538","0.0365","","","0.0874","0.0954","","","","","","1.05","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122902","20.291","0.003","10.2096","0.0016","17.982","0.003","90","","100.078","0.004","90","","3667.7","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H43 P3 Ru -","- C45 H43 P3 Ru -","- C180 H172 P12 Ru4 -","4","1","","vom Stein, Thorsten; Meuresch, Markus; Limper, Dominik; Schmitz, Marc; Hölscher, Markus; Coetzee, Jacorien; Cole-Hamilton, David J; Klankermayer, Jürgen; Leitner, Walter","Highly versatile catalytic hydrogenation of carboxylic and carbonic acid derivatives using a Ru-triphos complex: molecular control over selectivity and substrate scope.","Journal of the American Chemical Society","2014","136","38","13217","13225","10.1021/ja506023f","","","0.71073","MoKα","","0.1051","0.0641","","","0.1246","0.141","","","","","","1.03","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122903","10.4626","0.0005","12.8543","0.0006","18.3722","0.001","101.602","0.001","95.897","0.001","106.666","0.001","2284.6","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H18 O2 -","- C32 H18 O2 -","- C128 H72 O8 -","4","2","","Thapaliya, Ek Raj; Swaminathan, Subramani; Captain, Burjor; Raymo, Françisco M","Autocatalytic fluorescence photoactivation.","Journal of the American Chemical Society","2014","136","39","13798","13804","10.1021/ja5068383","","","0.71073","MoKα","","0.0604","0.0467","","","0.117","0.1273","","","","","","1.024","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122904","8.6876","0.0004","14.2494","0.0007","9.2839","0.0005","90","","97.417","0.001","90","","1139.67","0.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O2 -","- C16 H10 O2 -","- C64 H40 O8 -","4","1","","Thapaliya, Ek Raj; Swaminathan, Subramani; Captain, Burjor; Raymo, Françisco M","Autocatalytic fluorescence photoactivation.","Journal of the American Chemical Society","2014","136","39","13798","13804","10.1021/ja5068383","","","0.71073","MoKα","","0.045","0.0386","","","0.0917","0.0975","","","","","","1.03","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122905","11.7514","0.0004","16.2204","0.0005","19.154","0.0006","90","","100.142","0.003","90","","3593.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 B2 F12 Fe N6 -","- C37 H28 B2 F12 Fe N6 -","- C148 H112 B8 F48 Fe4 N24 -","4","1","","Sahu, Sumit; Quesne, Matthew G.; Davies, Casey G.; Dürr, Maximilian; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; de Visser, Sam P.; Goldberg, David P.","Direct Observation of a Nonheme Iron(IV)-Oxo Complex That Mediates Aromatic C-F Hydroxylation.","Journal of the American Chemical Society","2014","136","39","13542","13545","10.1021/ja507346t","","","1.54178","CuKα","","0.0347","0.0319","","","0.081","0.0828","","","","","","1.04","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122906","7.2422","0.0001","9.7575","0.0001","20.2541","0.0003","90","","90","","90","","1431.27","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Yeung, Charles S.; Ziegler, Robert E.; Porco, Jr, John A; Jacobsen, Eric N.","Thiourea-catalyzed enantioselective addition of indoles to pyrones: alkaloid cores with quaternary carbons.","Journal of the American Chemical Society","2014","136","39","13614","13617","10.1021/ja508523g","","","1.54178","CuKα","","0.0233","0.0226","","","0.0537","0.0543","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122907","14.683","0.006","10.965","0.004","24.216","0.009","90","","90","","90","","3899","3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H24 N4 S2 -","- C19 H24 N4 S2 -","- C152 H192 N32 S16 -","8","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.1204","0.0726","","","0.1558","0.1774","","","","","","1.061","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122908","11.1337","0.001","18.7761","0.0017","33.96","0.003","96.441","0.002","97.22","0.002","106.428","0.002","6673.5","1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H74.5 B4 F16 Ir2 N8.5 O2 S4 -","- C52 H66 B3 F12 Ir2 N8 S4 -","- C208 H264 B12 F48 Ir8 N32 S16 -","4","2","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.1122","0.0719","","","0.2102","0.2364","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122909","12.2748","0.0009","16.6642","0.0012","18.5597","0.0013","105.517","0.001","106.117","0.001","106.425","0.001","3242.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H78 Ir2 N12 O15 S4 -","- C55 H66 Ir2 N12 O15 S4 -","- C110 H132 Ir4 N24 O30 S8 -","2","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0565","0.0384","","","0.1152","0.1494","","","","","","1.072","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122910","12.2035","0.001","17.833","0.0015","19.246","0.003","105.581","0.002","97.204","0.002","109.42","0.001","3697.2","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H74 F12 Ir2 N8 O14 S8 -","- C57 H66 F12 Ir2 N8 O13 S8 -","- C114 H132 F24 Ir4 N16 O26 S16 -","2","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0771","0.0582","","","0.1685","0.1915","","","","","","1.033","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122911","12.188","0.0009","17.8414","0.0013","19.1883","0.0014","69.735","0.001","83.044","0.001","70.324","0.001","3685.6","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H74 F12 N8 O14 Rh2 S8 -","- C57 H66 F12 N8 O13 Rh2 S8 -","- C114 H132 F24 N16 O26 Rh4 S16 -","2","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0728","0.0556","","","0.1797","0.2164","","","","","","1.022","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122912","16.7688","0.001","29.1467","0.0018","16.8413","0.001","90","","115.984","0.001","90","","7399.2","0.8","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H78 Cl2 F6 Ir2 N8 O6 S6 -","- C60 H78 Cl2 F6 Ir2 N8 O6 S6 -","- C240 H312 Cl8 F24 Ir8 N32 O24 S24 -","4","0.5","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0236","0.0201","","","0.0569","0.0598","","","","","","1.087","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122913","12.2074","0.0008","12.2637","0.0008","15.7816","0.0011","98.588","0.001","96.339","0.001","108.62","0.001","2182.1","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H96 F12 Ir2 N10 O14 S8 -","- C74 H96 F12 Ir2 N10 O14 S8 -","- C74 H96 F12 Ir2 N10 O14 S8 -","1","0.5","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0696","0.0538","","","0.1661","0.2063","","","","","","1.135","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122914","14.1913","0.0009","27.0778","0.0018","20.2418","0.0013","90","","106.483","0.001","90","","7458.6","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H74 F12 Ir2 N8 O14 S8 -","- C58 H66 F12 Ir2 N8 O14 S8 -","- C232 H264 F48 Ir8 N32 O56 S32 -","4","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0442","0.031","","","0.0776","0.0818","","","","","","1.042","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122915","34.139","0.014","11.739","0.005","35.255","0.014","90","","108.581","0.006","90","","13392","10","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H62 F12 Ir2 N8 O12 S8 -","- C45 H62 F9 Ir2 N8 O9 S7 -","- C360 H496 F72 Ir16 N64 O72 S56 -","8","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.086","0.0397","","","0.0779","0.0824","","","","","","0.75","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122916","12.3964","0.0009","21.3342","0.0016","16.4768","0.0012","90","","99.555","0.001","90","","4297.1","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H90 F12 Ir2 N8 O16 S8 -","- C72 H74 F12 Ir2 N8 O12 S8 -","- C144 H148 F24 Ir4 N16 O24 S16 -","2","0.5","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.052","0.0356","","","0.0907","0.0964","","","","","","1.028","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122917","11.3564","0.001","27.465","0.003","13.0954","0.0012","90","","104.866","0.002","90","","3947.8","0.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H90 F12 Ir2 N8 O18 S8 -","- C56 H66 F12 Ir2 N8 O12 S8 -","- C112 H132 F24 Ir4 N16 O24 S16 -","2","0.5","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0772","0.0476","","","0.136","0.1563","","","","","","0.887","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122918","14.749","0.0012","15.4204","0.0013","22.4129","0.0018","86.922","0.001","72.937","0.002","83.271","0.002","4838.5","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H114 Ir2 N18 O19 S6 -","- C75 H98 Ir2 N17 O12 S6 -","- C150 H196 Ir4 N34 O24 S12 -","2","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.1099","0.0578","","","0.1454","0.1837","","","","","","0.942","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122919","20.923","0.003","21.606","0.003","24.564","0.004","71.189","0.002","73.194","0.002","85.738","0.002","10060","3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H105 Cl F12 Ir2 N12 O16.25 S10 -","- C78 H90 Cl F12 Ir2 N12 O16.25 S10 -","- C312 H360 Cl4 F48 Ir8 N48 O65 S40 -","4","2","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.1433","0.0964","","","0.2684","0.3046","","","","","","1.056","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122920","7.4415","0.0011","12.3336","0.0019","13.172","0.002","90","","91.17","0.002","90","","1208.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C21 H33 F3 Ir2 O3 S -","- C21 H33 F3 Ir2 O3 S -","- C42 H66 F6 Ir4 O6 S2 -","2","0.5","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0245","0.0167","","","0.0372","0.0393","","","","","","1.085","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122921","15.7876","0.0013","16.5051","0.0014","24.296","0.002","80.297","0.001","78.457","0.001","65.489","0.001","5617.9","0.8","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H128 F12 Ir2 N12 O17 S10 -","- C87 H112 F12 Ir2 N12 O15 S10 -","- C174 H224 F24 Ir4 N24 O30 S20 -","2","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.1078","0.0675","","","0.1919","0.234","","","","","","0.98","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122922","19.579","0.007","20.736","0.008","28.869","0.011","90","","96.224","0.005","90","","11651","8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C93 H124 F12 Ir2 N12 O23 S10 -","- C89 H96 F9 Ir2 N12 O11 S9 -","- C356 H384 F36 Ir8 N48 O44 S36 -","4","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0989","0.0489","","","0.1085","0.1178","","","","","","0.795","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122923","4.9777","0.0004","9.2119","0.0007","21.6756","0.0018","90","","90","","90","","993.91","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ZW05163","toste107","","- C10 H10 Br F O -","- C10 H10 Br F O -","- C40 H40 Br4 F4 O4 -","4","1","","Zi, Weiwei; Wang, Yi-Ming; Toste, F. Dean","An in situ directing group strategy for chiral anion phase-transfer fluorination of allylic alcohols.","Journal of the American Chemical Society","2014","136","37","12864","12867","10.1021/ja507468u","","","1.54178","CuKα","","0.1288","0.1034","","","0.2596","0.2816","","","","","","1.066","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4122924","10.7782","0.0006","12.1739","0.0006","17.5944","0.001","72.345","0.003","89.877","0.003","80.812","0.003","2169","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H48 Cl2 N5 O5 Rh -","- C47 H48 Cl2 N5 O5 Rh -","- C94 H96 Cl4 N10 O10 Rh2 -","2","1","","Komor, Alexis C.; Barton, Jacqueline K.","An Unusual Ligand Coordination Gives Rise to a New Family of Rhodium Metalloinsertors with Improved Selectivity and Potency.","Journal of the American Chemical Society","2014","136","40","14160","","10.1021/ja5072064","","","0.71073","MoKα","","0.0499","0.0372","","","0.0859","0.0919","","","","","","1.055","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122925","9.1633","0.0011","15.4046","0.0019","16.791","0.002","110.881","0.002","94.61","0.002","105.705","0.002","2090.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H48 Cl2 N5 O3 Rh -","- C45 H48 Cl2 N5 O3 Rh -","- C90 H96 Cl4 N10 O6 Rh2 -","2","1","","Komor, Alexis C.; Barton, Jacqueline K.","An Unusual Ligand Coordination Gives Rise to a New Family of Rhodium Metalloinsertors with Improved Selectivity and Potency.","Journal of the American Chemical Society","2014","136","40","14160","","10.1021/ja5072064","","","0.71073","MoKα","","0.0387","0.0308","","","0.0703","0.075","","","","","","1.112","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122926","9.6145","0.0008","15.7645","0.0013","16.8583","0.0014","64.434","0.004","85.049","0.004","73.491","0.004","2208","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H47 Cl2 N6 O5 Rh -","- C45.998 H46.994 Cl2 N6 O4.999 Rh -","- C91.996 H93.988 Cl4 N12 O9.998 Rh2 -","2","1","","Komor, Alexis C.; Barton, Jacqueline K.","An Unusual Ligand Coordination Gives Rise to a New Family of Rhodium Metalloinsertors with Improved Selectivity and Potency.","Journal of the American Chemical Society","2014","136","40","14160","","10.1021/ja5072064","","","0.71073","MoKα","","0.0468","0.0418","","","0.105","0.111","","","","","","1.12","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122927","9.4383","0.0004","25.4636","0.001","16.6094","0.0006","90","","96.746","0.002","90","","3964.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H43 Cl2 N8 O3 Rh -","- C42 H43 Cl2 N8 O3 Rh -","- C168 H172 Cl8 N32 O12 Rh4 -","4","1","","Komor, Alexis C.; Barton, Jacqueline K.","An Unusual Ligand Coordination Gives Rise to a New Family of Rhodium Metalloinsertors with Improved Selectivity and Potency.","Journal of the American Chemical Society","2014","136","40","14160","","10.1021/ja5072064","","","0.71073","MoKα","","0.0371","0.0284","","","0.0641","0.0677","","","","","","1.035","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122928","13.3281","0.0002","8.6447","0.0001","16.5817","0.0003","90","","110.91","0.001","90","","1784.68","0.05","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O -","- C22 H24 O -","- C88 H96 O4 -","4","1","","Wu, Yen-Ku; Dunbar, Christine R.; McDonald, Robert; Ferguson, Michael J.; West, F. G.","Experimental and Computational Studies on Interrupted Nazarov Reactions: Exploration of Umpolung Reactivity at the α-Carbon of Cyclopentanones.","Journal of the American Chemical Society","2014","136","42","14903","14911","10.1021/ja507638r","","","1.54178","CuKα","","0.0472","0.0452","","","0.1205","0.1225","","","","","","1.053","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122929","11.1819","0.0007","8.2935","0.0005","18.6856","0.0012","90","","92.4596","0.0008","90","","1731.25","0.19","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C92 H88 O8 -","4","1","","Wu, Yen-Ku; Dunbar, Christine R.; McDonald, Robert; Ferguson, Michael J.; West, F. G.","Experimental and Computational Studies on Interrupted Nazarov Reactions: Exploration of Umpolung Reactivity at the α-Carbon of Cyclopentanones.","Journal of the American Chemical Society","2014","136","42","14903","14911","10.1021/ja507638r","","","0.71073","MoKα","","0.053","0.0404","","","0.0962","0.104","","","","","","1.048","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122930","8.8571","0.0006","26.3976","0.0017","8.4439","0.0005","90","","110.755","0.0008","90","","1846.1","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C92 H88 O8 -","4","1","","Wu, Yen-Ku; Dunbar, Christine R.; McDonald, Robert; Ferguson, Michael J.; West, F. G.","Experimental and Computational Studies on Interrupted Nazarov Reactions: Exploration of Umpolung Reactivity at the α-Carbon of Cyclopentanones.","Journal of the American Chemical Society","2014","136","42","14903","14911","10.1021/ja507638r","","","0.71073","MoKα","","0.0598","0.0441","","","0.1098","0.1193","","","","","","1.041","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122931","29.7494","0.0013","11.8562","0.0005","16.1391","0.0007","90","","114.441","0.001","90","","5182.4","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H31 N O -","- C34 H31 N O -","- C272 H248 N8 O8 -","8","1","","Wu, Yen-Ku; Dunbar, Christine R.; McDonald, Robert; Ferguson, Michael J.; West, F. G.","Experimental and Computational Studies on Interrupted Nazarov Reactions: Exploration of Umpolung Reactivity at the α-Carbon of Cyclopentanones.","Journal of the American Chemical Society","2014","136","42","14903","14911","10.1021/ja507638r","","","0.71073","MoKα","","0.0779","0.044","","","0.0984","0.1163","","","","","","1.024","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122932","10.6991","0.0002","16.9663","0.0002","18.5203","0.0003","90","","105.031","0.0005","90","","3246.86","0.09","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 O3 -","- C42 H40 O3 -","- C168 H160 O12 -","4","0.5","","Wu, Yen-Ku; Dunbar, Christine R.; McDonald, Robert; Ferguson, Michael J.; West, F. G.","Experimental and Computational Studies on Interrupted Nazarov Reactions: Exploration of Umpolung Reactivity at the α-Carbon of Cyclopentanones.","Journal of the American Chemical Society","2014","136","42","14903","14911","10.1021/ja507638r","","","1.54178","CuKα","","0.036","0.0352","","","0.0876","0.0882","","","","","","1.046","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122933","7.2488","0.0009","11.4291","0.0013","12.5189","0.0015","90","","105.968","0.003","90","","997.1","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 Br O4 Si -","- C17 H27 Br O4 Si -","- C34 H54 Br2 O8 Si2 -","2","1","","Li, Jian; Yang, Peng; Yao, Ming; Deng, Jun; Li, Ang","Total Synthesis of Rubriflordilactone A.","Journal of the American Chemical Society","2014","","","141113160240003","","10.1021/ja5092563","","","0.71073","MoKα","","0.0824","0.0531","","","0.1356","0.1521","","","","","","1.017","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122934","6.7558","0.0015","8.971","0.002","12.667","0.003","104.136","0.004","94.884","0.005","93.828","0.005","738.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 Br O3 -","- C17 H17 Br O3 -","- C34 H34 Br2 O6 -","2","1","","Li, Jian; Yang, Peng; Yao, Ming; Deng, Jun; Li, Ang","Total Synthesis of Rubriflordilactone A.","Journal of the American Chemical Society","2014","","","141113160240003","","10.1021/ja5092563","","","0.71073","MoKα","","0.074","0.0608","","","0.1748","0.1835","","","","","","1.039","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122935","5.7402","0.0004","14.357","0.001","22.6404","0.0017","90","","90","","90","","1865.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br O2 Se -","- C22 H19 Br O2 Se -","- C88 H76 Br4 O8 Se4 -","4","1","","Zhang, Hu; Lin, Song; Jacobsen, Eric N.","Enantioselective Selenocyclization via Dynamic Kinetic Resolution of Seleniranium Ions by Hydrogen-Bond Donor Catalysts.","Journal of the American Chemical Society","2014","","","141112110859008","","10.1021/ja510113s","","","0.71073","MoKα","","0.024","0.0205","","","0.0435","0.0444","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122936","13.78","0.003","16.661","0.003","19.202","0.004","104.86","0.03","106.47","0.03","104.87","0.03","3820","2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","Cu(2,7-AQDC)","Copper 2,7-anthraquinone dicarboxylate","","- C16 H6 Cu O6 -","- C16 H6 Cu O6 -","- C96 H36 Cu6 O36 -","6","3","","Zhang, Zhongyue; Yoshikawa, Hirofumi; Awaga, Kunio","Monitoring the Solid-State Electrochemistry of Cu(2,7-AQDC) (AQDC = Anthraquinone Dicarboxylate) in a Lithium Battery: Coexistence of Metal and Ligand Redox Activities in a Metal-Organic Framework.","Journal of the American Chemical Society","2014","","","141110144839000","","10.1021/ja508197w","","","0.71073","MoKα","","0.1757","0.089","","","0.2267","0.2646","","","","","","0.846","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122937","18.804","0.008","20.072","0.009","20.265","0.009","90.33","0.05","108.89","0.05","117.02","0.05","6340","6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C157 H161 N7 O14 -","- C157 H161 N7 O14 -","- C314 H322 N14 O28 -","2","1","","Gońka, Elżbieta; Chmielewski, Piotr J.; Lis, Tadeusz; Stępień, Marcin","Expanded Hexapyrrolohexaazacoronenes. Near-Infrared Absorbing Chromophores with Interrupted Peripheral Conjugation.","Journal of the American Chemical Society","2014","","","141110133001000","","10.1021/ja508963v","","","1.5418","CuKα","","0.338","0.1189","","","0.171","0.1985","","","","","","1.066","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122938","10.128","0.004","17.189","0.006","22.208","0.009","86.63","0.05","83.05","0.05","77.62","0.05","3746","3","80","2","80","2","","","","","","","","5","P -1","-P 1","2","","","","- C172 H192 Cl4 N8 O16 -","- C171.998 H192 Cl4 N8 O16 -","- C171.998 H192 Cl4 N8 O16 -","1","0.5","","Gońka, Elżbieta; Chmielewski, Piotr J.; Lis, Tadeusz; Stępień, Marcin","Expanded Hexapyrrolohexaazacoronenes. Near-Infrared Absorbing Chromophores with Interrupted Peripheral Conjugation.","Journal of the American Chemical Society","2014","","","141110133001000","","10.1021/ja508963v","","","0.71073","MoKα","","0.4847","0.1155","","","0.1495","0.2647","","","","","","0.869","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122939","15.7472","0.001","16.1193","0.0013","16.2046","0.0012","119.442","0.004","100.225","0.003","92.957","0.004","3478.6","0.5","100","2","100","","","","","","","","","5","P 1","P 1","1","","","","- C66 H54 Br6 N6 O12 -","- C66 H54 Br6 N6 O12 -","- C132 H108 Br12 N12 O24 -","2","2","","Liu, Zhichang; Liu, Guoliang; Wu, Yilei; Cao, Dennis; Sun, Junling; Schneebeli, Severin T.; Nassar, Majed S.; Mirkin, Chad A.; Stoddart, J. Fraser","Assembly of Supramolecular Nanotubes from Molecular Triangles and 1,2-Dihalohydrocarbons.","Journal of the American Chemical Society","2014","","","141114095931006","","10.1021/ja509480u","","","1.54178","CuKα","","0.1084","0.0968","","","0.2768","0.2928","","","","","","1.278","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122940","15.7342","0.0006","16.0668","0.0006","16.1856","0.0006","119.55","0.0016","100.205","0.0018","92.9355","0.0018","3457","0.2","100","2","99.97","","","","","","","","","5","P 1","P 1","1","","","","- C66 H54 Br6 N6 O12 -","- C66 H54 Br6 N6 O12 -","- C132 H108 Br12 N12 O24 -","2","2","","Liu, Zhichang; Liu, Guoliang; Wu, Yilei; Cao, Dennis; Sun, Junling; Schneebeli, Severin T.; Nassar, Majed S.; Mirkin, Chad A.; Stoddart, J. Fraser","Assembly of Supramolecular Nanotubes from Molecular Triangles and 1,2-Dihalohydrocarbons.","Journal of the American Chemical Society","2014","","","141114095931006","","10.1021/ja509480u","","","1.54178","CuKα","","0.0543","0.0525","","","0.1458","0.1478","","","","","","1.057","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122941","46.2752","0.0015","16.1173","0.0005","40.4255","0.0014","90","","90.025","0.002","90","","30150.6","1.7","100","2","100.07","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C61 H44 Cl N6 O12 -","- C61 H44 Cl N6 O12 -","- C976 H704 Cl16 N96 O192 -","16","4","","Liu, Zhichang; Liu, Guoliang; Wu, Yilei; Cao, Dennis; Sun, Junling; Schneebeli, Severin T.; Nassar, Majed S.; Mirkin, Chad A.; Stoddart, J. Fraser","Assembly of Supramolecular Nanotubes from Molecular Triangles and 1,2-Dihalohydrocarbons.","Journal of the American Chemical Society","2014","","","141114095931006","","10.1021/ja509480u","","","1.54178","CuKα","","0.085","0.0651","","","0.1802","0.1923","","","","","","1.021","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122942","46.8926","0.0008","16.3192","0.0003","40.7083","0.0007","90","","90.6571","0.0012","90","","31150","0.9","240","2","240","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C60 H42 N6 O12 -","- C60 H42 N6 O12 -","- C960 H672 N96 O192 -","16","4","","Liu, Zhichang; Liu, Guoliang; Wu, Yilei; Cao, Dennis; Sun, Junling; Schneebeli, Severin T.; Nassar, Majed S.; Mirkin, Chad A.; Stoddart, J. Fraser","Assembly of Supramolecular Nanotubes from Molecular Triangles and 1,2-Dihalohydrocarbons.","Journal of the American Chemical Society","2014","","","141114095931006","","10.1021/ja509480u","","","1.54178","CuKα","","0.0765","0.0523","","","0.1349","0.144","","","","","","0.979","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122943","7.6581","0.0005","10.9491","0.0008","11.8918","0.0009","76.1231","0.0019","82.045","0.003","70.7134","0.0018","911.78","0.11","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C38 H38 Br2 O4 -","2","2","","Yamamoto, Eiji; Takenouchi, Yuta; Ozaki, Taichi; Miya, Takanori; Ito, Hajime","Copper(I)-Catalyzed Enantioselective Synthesis of α-Chiral Linear or Carbocyclic (E)-(γ-Alkoxyallyl)boronates.","Journal of the American Chemical Society","2014","","","141114100046006","","10.1021/ja506284w","","","0.71075","MoKα","","","0.0588","","","","0.1599","","","","","","1.134","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122944","7.8581","0.0012","7.9046","0.0012","11.4343","0.0019","74.344","0.004","87.755","0.004","65.93","0.003","622.39","0.17","123","","123","","","","","","","","","3","P 1","P 1","1","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C28 H36 O6 -","2","2","","Yamamoto, Eiji; Takenouchi, Yuta; Ozaki, Taichi; Miya, Takanori; Ito, Hajime","Copper(I)-Catalyzed Enantioselective Synthesis of α-Chiral Linear or Carbocyclic (E)-(γ-Alkoxyallyl)boronates.","Journal of the American Chemical Society","2014","","","141114100046006","","10.1021/ja506284w","","","0.71075","MoKα","","","0.0352","","","","0.1065","","","","","","1.086","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122945","11.5695","0.0009","6.0722","0.0004","15.1263","0.0009","90","","110.659","0.0017","90","","994.33","0.12","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C48 H56 O8 -","4","1","","Yamamoto, Eiji; Takenouchi, Yuta; Ozaki, Taichi; Miya, Takanori; Ito, Hajime","Copper(I)-Catalyzed Enantioselective Synthesis of α-Chiral Linear or Carbocyclic (E)-(γ-Alkoxyallyl)boronates.","Journal of the American Chemical Society","2014","","","141114100046006","","10.1021/ja506284w","","","0.71075","MoKα","","","0.0418","","","","0.1134","","","","","","1.075","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122946","9.0926","0.0007","10.6133","0.0008","9.8276","0.0008","90","","96.206","0.002","90","","942.83","0.13","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C46 H46 N6 O4 -","2","1","","Ruchti, Jonathan; Carreira, Erick M.","Ir-Catalyzed Reverse Prenylation of 3-Substituted Indoles: Total Synthesis of (+)-Aszonalenin and (-)-Brevicompanine B.","Journal of the American Chemical Society","2014","","","141119074653005","","10.1021/ja509893s","","x-ray","0.71073","MoKα","","0.0356","0.0341","","","0.0898","0.0911","","","","","","1.052","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122947","13.5108","0.0006","10.3083","0.0004","16.0724","0.0007","90","","121.932","0.003","90","","1899.73","0.15","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3a-(2-methylbut-3-en-2-yl)-1-tosyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole","","- C22 H26 N2 O2 S -","- C22 H26 N2 O2 S -","- C88 H104 N8 O8 S4 -","4","1","","Ruchti, Jonathan; Carreira, Erick M.","Ir-Catalyzed Reverse Prenylation of 3-Substituted Indoles: Total Synthesis of (+)-Aszonalenin and (-)-Brevicompanine B.","Journal of the American Chemical Society","2014","","","141119074653005","","10.1021/ja509893s","","x-ray","0.71073","MoKα","","0.051","0.0372","","","0.0856","0.0933","","","","","","1.042","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122948","11.0636","0.0004","12.5676","0.0004","12.9313","0.0004","63.123","0.001","88.225","0.001","88.28","0.001","1602.76","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H38 O6 -","- C42 H38 O6 -","- C84 H76 O12 -","2","1","","Mathew, Sanyo; Crandall, Laura A.; Ziegler, Christopher J.; Hartley, C. Scott","Enhanced Helical Folding of ortho-Phenylenes through the Control of Aromatic Stacking Interactions.","Journal of the American Chemical Society","2014","","","141117142844002","","10.1021/ja509902m","","","1.54178","CuKα","","0.0361","0.0355","","","0.1479","0.1492","","","","","","1.436","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122949","13.8491","0.0006","15.7919","0.0007","22.1467","0.0009","83.426","0.002","81.434","0.002","78.1","0.002","4669","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H32 F30 O30 S10 -","- C70 H32 F30 O30 S10 -","- C140 H64 F60 O60 S20 -","2","1","","Mathew, Sanyo; Crandall, Laura A.; Ziegler, Christopher J.; Hartley, C. Scott","Enhanced Helical Folding of ortho-Phenylenes through the Control of Aromatic Stacking Interactions.","Journal of the American Chemical Society","2014","","","141117142844002","","10.1021/ja509902m","","","1.54178","CuKα","","0.1018","0.0994","","","0.3719","0.3762","","","","","","1.87","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122950","12.2025","0.0005","13.7032","0.0005","22.3536","0.0009","80.895","0.002","81.765","0.002","76.661","0.002","3568.9","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C80 H62 O20 -","- C80 H62 O20 -","- C160 H124 O40 -","2","1","","Mathew, Sanyo; Crandall, Laura A.; Ziegler, Christopher J.; Hartley, C. Scott","Enhanced Helical Folding of ortho-Phenylenes through the Control of Aromatic Stacking Interactions.","Journal of the American Chemical Society","2014","","","141117142844002","","10.1021/ja509902m","","","1.54178","CuKα","","0.1065","0.0624","","","0.1791","0.2132","","","","","","1.191","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122951","12.4294","0.0013","22.99","0.003","23.405","0.003","90","","90","","90","","6688","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H26 F24 O24 S8 -","- C56 H26 F24 O24 S8 -","- C224 H104 F96 O96 S32 -","4","1","","Mathew, Sanyo; Crandall, Laura A.; Ziegler, Christopher J.; Hartley, C. Scott","Enhanced Helical Folding of ortho-Phenylenes through the Control of Aromatic Stacking Interactions.","Journal of the American Chemical Society","2014","","","141117142844002","","10.1021/ja509902m","","","0.71073","MoKα","","0.056","0.0477","","","0.1287","0.1367","","","","","","1.011","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122952","15.5769","0.0007","27.008","0.0012","30.9543","0.0013","90","","94.781","0.002","90","","12977.2","1","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C130 H122 B4 Co2 Fe2 N32 -","- C130 H122 B4 Co2 Fe2 N32 -","- C520 H488 B16 Co8 Fe8 N128 -","4","1","","Zhang, Yuan-Zhu; Ferko, Philip; Siretanu, Diana; Ababei, Rodica; Rath, Nigam P.; Shaw, Michael J.; Clérac, Rodolphe; Mathonière, Corine; Holmes, Stephen M.","Thermochromic and Photoresponsive Cyanometalate Fe/Co Squares: Toward Control of the Electron Transfer Temperature.","Journal of the American Chemical Society","2014","","","141119160917008","","10.1021/ja508280n","","","0.71073","MoKα","","0.1286","0.0636","","","0.1629","0.2044","","","","","","1.034","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122953","13.347","0.002","14.903","0.003","16.519","0.003","86.703","0.009","67.965","0.009","76.033","0.01","2953.7","0.9","240","2","240","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H120 B4 Co2 Fe4 N44 O12 -","- C100 H105.372 B4 Co2 Fe4 N44 O12 -","- C100 H105.372 B4 Co2 Fe4 N44 O12 -","1","0.5","","Zhang, Yuan-Zhu; Ferko, Philip; Siretanu, Diana; Ababei, Rodica; Rath, Nigam P.; Shaw, Michael J.; Clérac, Rodolphe; Mathonière, Corine; Holmes, Stephen M.","Thermochromic and Photoresponsive Cyanometalate Fe/Co Squares: Toward Control of the Electron Transfer Temperature.","Journal of the American Chemical Society","2014","","","141119160917008","","10.1021/ja508280n","","","0.71073","MoKα","","0.0997","0.0583","","","0.1433","0.1681","","","","","","1.018","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122954","15.2955","0.0009","26.6377","0.0015","30.6024","0.0018","90","","94.725","0.003","90","","12426.2","1.2","80","2","80","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C258 H245 B8 Co4 Fe4 N63 O2 -","- C258 H241 B8 Co4 Fe4 N63 O2 -","- C516 H482 B16 Co8 Fe8 N126 O4 -","2","0.5","","Zhang, Yuan-Zhu; Ferko, Philip; Siretanu, Diana; Ababei, Rodica; Rath, Nigam P.; Shaw, Michael J.; Clérac, Rodolphe; Mathonière, Corine; Holmes, Stephen M.","Thermochromic and Photoresponsive Cyanometalate Fe/Co Squares: Toward Control of the Electron Transfer Temperature.","Journal of the American Chemical Society","2014","","","141119160917008","","10.1021/ja508280n","","","0.71073","MoKα","","0.1972","0.0975","","","0.2293","0.2833","","","","","","1.027","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122955","9.7165","0.0001","17.1804","0.0002","18.738","0.0003","90","","93.3752","0.0006","90","","3122.57","0.07","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H90 B2 Fe2 N20 O9 -","- C46 H86 B2 Fe2 N20 O9 -","- C92 H172 B4 Fe4 N40 O18 -","2","0.5","","Zhang, Yuan-Zhu; Ferko, Philip; Siretanu, Diana; Ababei, Rodica; Rath, Nigam P.; Shaw, Michael J.; Clérac, Rodolphe; Mathonière, Corine; Holmes, Stephen M.","Thermochromic and Photoresponsive Cyanometalate Fe/Co Squares: Toward Control of the Electron Transfer Temperature.","Journal of the American Chemical Society","2014","","","141119160917008","","10.1021/ja508280n","","","0.71073","MoKα","","0.0784","0.0592","","","0.1572","0.1731","","","","","","1.022","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122956","15.2959","0.0007","26.6774","0.0011","30.6016","0.0013","90","","94.561","0.001","90","","12447.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C130 H122 B4 Co2 Fe2 N32 -","- C130 H122 B4 Co2 Fe2 N32 -","- C520 H488 B16 Co8 Fe8 N128 -","4","1","","Zhang, Yuan-Zhu; Ferko, Philip; Siretanu, Diana; Ababei, Rodica; Rath, Nigam P.; Shaw, Michael J.; Clérac, Rodolphe; Mathonière, Corine; Holmes, Stephen M.","Thermochromic and Photoresponsive Cyanometalate Fe/Co Squares: Toward Control of the Electron Transfer Temperature.","Journal of the American Chemical Society","2014","","","141119160917008","","10.1021/ja508280n","","","0.71073","MoKα","","0.1162","0.0781","","","0.1874","0.2113","","","","","","1.122","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122957","13.2136","0.0013","14.7388","0.0015","16.3368","0.0017","86.606","0.003","67.817","0.002","75.689","0.002","2852.6","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H120 B4 Co2 Fe4 N44 O12 -","- C100 H105.476 B4 Co2 Fe4 N44 O12 -","- C100 H105.476 B4 Co2 Fe4 N44 O12 -","1","0.5","","Zhang, Yuan-Zhu; Ferko, Philip; Siretanu, Diana; Ababei, Rodica; Rath, Nigam P.; Shaw, Michael J.; Clérac, Rodolphe; Mathonière, Corine; Holmes, Stephen M.","Thermochromic and Photoresponsive Cyanometalate Fe/Co Squares: Toward Control of the Electron Transfer Temperature.","Journal of the American Chemical Society","2014","","","141119160917008","","10.1021/ja508280n","","","0.71073","MoKα","","0.083","0.0535","","","0.1388","0.1529","","","","","","1.046","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122958","15.3435","0.0019","26.718","0.003","30.65","0.004","90","","94.612","0.005","90","","12524","3","80","2","80","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C258 H243 B8 Co4 Fe4 N63 O -","- C258 H241 B8 Co4 Fe4 N63 O -","- C516 H482 B16 Co8 Fe8 N126 O2 -","2","0.5","","Zhang, Yuan-Zhu; Ferko, Philip; Siretanu, Diana; Ababei, Rodica; Rath, Nigam P.; Shaw, Michael J.; Clérac, Rodolphe; Mathonière, Corine; Holmes, Stephen M.","Thermochromic and Photoresponsive Cyanometalate Fe/Co Squares: Toward Control of the Electron Transfer Temperature.","Journal of the American Chemical Society","2014","","","141119160917008","","10.1021/ja508280n","","","0.71073","MoKα","","0.2063","0.0943","","","0.2427","0.3008","","","","","","1.032","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122959","11.9646","0.001","20.1695","0.0017","16.2286","0.0014","90","","111.334","0.008","90","","3647.9","0.6","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H111 Fe3 N8 Na O2 -","- C80 H111 Fe3 N8 Na O2 -","- C160 H222 Fe6 N16 Na2 O4 -","2","1","","Grubel, Katarzyna; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Alkali Metal Control over N-N Cleavage in Iron Complexes.","Journal of the American Chemical Society","2014","","","141120101403003","","10.1021/ja507442b","","","0.71075","MoKα","","0.1318","0.0819","","","0.1731","0.1992","","","","","","1.034","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122960","14.8536","0.0016","18.951","0.002","19.309","0.002","97.857","0.002","104.953","0.002","109.636","0.002","4794.5","0.9","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","holkg19","","","- C94 H122 Cl2 Fe4 N10 Rb2 -","- C94 H122 Cl2 Fe4 N10 Rb2 -","- C188 H244 Cl4 Fe8 N20 Rb4 -","2","1","","Grubel, Katarzyna; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Alkali Metal Control over N-N Cleavage in Iron Complexes.","Journal of the American Chemical Society","2014","","","141120101403003","","10.1021/ja507442b","","","0.71073","MoKα","","0.0941","0.0516","","","0.1094","0.1216","","","","","","0.973","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122961","15.5032","0.0016","10.9819","0.0011","22.473","0.002","90","","94.767","0.002","90","","3812.9","0.6","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","holkg04","","","- C44 H54 Fe N4 -","- C44 H54 Fe N4 -","- C176 H216 Fe4 N16 -","4","1","","Grubel, Katarzyna; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Alkali Metal Control over N-N Cleavage in Iron Complexes.","Journal of the American Chemical Society","2014","","","141120101403003","","10.1021/ja507442b","","","0.71073","MoKα","","0.1017","0.0547","","","0.1191","0.1402","","","","","","1.029","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122962","14.2235","0.0011","14.2235","0.0011","64.483","0.005","90","","90","","120","","11297.7","1.5","100","0.5","100","0.5","","","","","","","","6","R -3 c :H","-R 3 2""c","167","holkg14","","","- C66 H81 Cl Cs2 Fe3 N10 -","- C66 H81 Cl0.9999 Cs2 Fe3 N10.0002 -","- C396 H486 Cl5.9994 Cs12 Fe18 N60.0012 -","6","0.166667","","Grubel, Katarzyna; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Alkali Metal Control over N-N Cleavage in Iron Complexes.","Journal of the American Chemical Society","2014","","","141120101403003","","10.1021/ja507442b","","","0.71073","MoKα","","0.0707","0.037","","","0.0911","0.1122","","","","","","1.021","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122963","14.202","0.003","14.202","0.003","64.058","0.015","90","","90","","120","","11189","4","100","0.5","100","0.5","","","","","","","","5","R -3 c :H","-R 3 2""c","167","holkg15","","","- C66 H81 Fe3 N12 Rb2 -","- C66 H81 Fe3 N12 Rb2 -","- C396 H486 Fe18 N72 Rb12 -","6","0.166667","","Grubel, Katarzyna; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Alkali Metal Control over N-N Cleavage in Iron Complexes.","Journal of the American Chemical Society","2014","","","141120101403003","","10.1021/ja507442b","","","0.71073","MoKα","","0.1641","0.0912","","","0.2138","0.2472","","","","","","1.185","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122964","14.218","0.003","14.218","0.003","64.509","0.013","90","","90","","120","","11293","4","100","0.5","100","0.5","","","","","","","","5","R -3 c :H","-R 3 2""c","167","holkg16","","","- C66 H81 Cs2 Fe3 N12 -","- C66 H81 Cs2 Fe3 N12 -","- C396 H486 Cs12 Fe18 N72 -","6","0.166667","","Grubel, Katarzyna; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Alkali Metal Control over N-N Cleavage in Iron Complexes.","Journal of the American Chemical Society","2014","","","141120101403003","","10.1021/ja507442b","","","0.71073","MoKα","","0.1091","0.0431","","","0.0925","0.1188","","","","","","0.998","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122965","12.577","0.002","13.577","0.002","13.373","0.002","90","","115.854","0.003","90","","2055","0.5","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","holmc22","","","- C44 H54 Cl2 Fe2 N4 -","- C44 H54 Cl2 Fe2 N4 -","- C88 H108 Cl4 Fe4 N8 -","2","0.5","","Grubel, Katarzyna; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Alkali Metal Control over N-N Cleavage in Iron Complexes.","Journal of the American Chemical Society","2014","","","141120101403003","","10.1021/ja507442b","","","0.71073","MoKα","","0.1006","0.0494","","","0.0922","0.1118","","","","","","1","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122966","9.273","0.002","16.959","0.002","22.383","0.003","90","","90.75","0.02","90","","3519.7","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H62 N2 Si -","- C40 H62 N2 Si -","- C160 H248 N8 Si4 -","4","1","","Roy, Sudipta; Mondal, Kartik Chandra; Krause, Lennard; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Meyer, Jann; Stückl, A Claudia; Maity, Bholanath; Koley, Debasis; Vasa, Suresh Kumar; Xiang, Sheng Qi; Linser, Rasmus; Roesky, Herbert W.","Electron-Induced Conversion of Silylones to Six-Membered Cyclic Silylenes.","Journal of the American Chemical Society","2014","","","141119074807003","","10.1021/ja510427r","","","0.71073","MoKα","","0.0908","0.0489","","","0.1063","0.1235","","","","","","1.036","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122967","9.533","0.002","18.139","0.002","22.863","0.003","90","","93","0.02","90","","3948","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H70 N2 Si -","- C46 H70 N2 Si -","- C184 H280 N8 Si4 -","4","1","","Roy, Sudipta; Mondal, Kartik Chandra; Krause, Lennard; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Meyer, Jann; Stückl, A Claudia; Maity, Bholanath; Koley, Debasis; Vasa, Suresh Kumar; Xiang, Sheng Qi; Linser, Rasmus; Roesky, Herbert W.","Electron-Induced Conversion of Silylones to Six-Membered Cyclic Silylenes.","Journal of the American Chemical Society","2014","","","141119074807003","","10.1021/ja510427r","","","0.56086","AgKα","","0.0831","0.054","","","0.14","0.1562","","","","","","1.04","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122968","38.758","0.002","38.758","0.002","38.758","0.002","90","","90","","90","","58222","5","293","2","293","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C276 H160 N24 O32 Zn6 Zr6 -","- C276 H96 N24 O32 Zn6 Zr6 -","- C1104 H384 N96 O128 Zn24 Zr24 -","4","0.0208333","","Lu, Kuangda; He, Chunbai; Lin, Wenbin","Nanoscale Metal-Organic Framework for Highly Effective Photodynamic Therapy of Resistant Head and Neck Cancer.","Journal of the American Chemical Society","2014","","","141119074725009","","10.1021/ja508679h","","","0.41328","","","0.094","0.0896","","","0.2592","0.2644","","","","","","2.324","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122969","10.736","0.002","25.965","0.005","13.034","0.002","90","","97.68","0.003","90","","3600.8","1.1","100","","100","","","","","","","","acetonitrile,diethylether","5","P 1 21/c 1","-P 2ybc","14","","Title","","- C34 H19 F15 I3 N3 -","- C34 H19 F15 I3 N3 -","- C136 H76 F60 I12 N12 -","4","1","","Jungbauer, Stefan H.; Bulfield, David; Kniep, Florian; Lehmann, Christian W.; Herdtweck, Eberhardt; Huber, Stefan M.","Toward Molecular Recognition: Three-Point Halogen Bonding in the Solid State and in Solution.","Journal of the American Chemical Society","2014","","","141119074946004","","10.1021/ja509705f","","","0.71073","Mo-Kα","","0.0211","0.0177","","","0.0409","0.0422","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122970","22.379","0.005","22.379","0.005","42.132","0.005","90","","90","","120","","18274","6","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C162 H174 N78 O54 -","- C162 H162 N78 O54 -","- C486 H486 N234 O162 -","3","0.166667","","Chen, Kai; Kang, Yan-Shang; Zhao, Yue; Yang, Ji-Min; Lu, Yi; Sun, Wei-Yin","Cucurbit[6]uril-Based Supramolecular Assemblies: Possible Application in Radioactive Cesium Cation Capture.","Journal of the American Chemical Society","2014","","","141119145920008","","10.1021/ja5098836","","","0.71073","MoKα","","0.1389","0.0849","","","0.1804","0.1936","","","","","","1.183","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122971","23.6641","0.0018","23.6641","0.0018","31.78","0.002","90","","90","","120","","15412.2","1.9","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C180 H180 N90 O54 -","- C180 H179.76 N90 O54 -","- C360 H359.52 N180 O108 -","2","0.166667","","Chen, Kai; Kang, Yan-Shang; Zhao, Yue; Yang, Ji-Min; Lu, Yi; Sun, Wei-Yin","Cucurbit[6]uril-Based Supramolecular Assemblies: Possible Application in Radioactive Cesium Cation Capture.","Journal of the American Chemical Society","2014","","","141119145920008","","10.1021/ja5098836","","","0.71073","MoKα","","0.2055","0.1159","","","0.2343","0.2503","","","","","","1.197","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122972","22.309","0.005","22.309","0.005","42.278","0.005","90","","90","","120","","18222","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C81 H75 Cs3 N36 O27 -","- C81 H69 Cs3 N36 O27 -","- C486 H414 Cs18 N216 O162 -","6","0.333333","","Chen, Kai; Kang, Yan-Shang; Zhao, Yue; Yang, Ji-Min; Lu, Yi; Sun, Wei-Yin","Cucurbit[6]uril-Based Supramolecular Assemblies: Possible Application in Radioactive Cesium Cation Capture.","Journal of the American Chemical Society","2014","","","141119145920008","","10.1021/ja5098836","","","0.71069","MoKα","","0.1909","0.1267","","","0.2794","0.2962","","","","","","1.19","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122973","34.623","0.002","34.623","0.002","16.4266","0.001","90","","90","","90","","19691","2","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C168 H104 Mo8 N24 O56 -","- C168 H104 Mo8 N24 O56 -","- C336 H208 Mo16 N48 O112 -","2","0.125","","Park, Jinhee; Chen, Ying-Pin; Perry, Zachary; Li, Jian-Rong; Zhou, Hong-Cai","Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing ""Codes"" of Bridging Ligands and Metathesis of Metal Units.","Journal of the American Chemical Society","2014","","","141120112955009","","10.1021/ja508822r","","","0.71073","MoKα","","0.0881","0.0626","","","0.1625","0.1693","","","","","","1.002","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122974","23.524","0.005","31.791","0.007","48.797","0.01","90","","90","","90","","36493","13","110","2","110","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C168 H104 Cu8 N24 O56 -","- C168 H104 Cu8 N24 O56 -","- C672 H416 Cu32 N96 O224 -","4","0.25","","Park, Jinhee; Chen, Ying-Pin; Perry, Zachary; Li, Jian-Rong; Zhou, Hong-Cai","Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing ""Codes"" of Bridging Ligands and Metathesis of Metal Units.","Journal of the American Chemical Society","2014","","","141120112955009","","10.1021/ja508822r","","","0.71073","MoKα","","0.2137","0.1591","","","0.3077","0.3287","","","","","","1.009","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4122975","8.918","0.0012","15.89","0.002","20.734","0.003","90","","97.404","0.002","90","","2913.7","0.7","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 Cu2 N10 O16 -","- C58 H62 Cu2 N10 O16 -","- C116 H124 Cu4 N20 O32 -","2","0.5","","Park, Jinhee; Chen, Ying-Pin; Perry, Zachary; Li, Jian-Rong; Zhou, Hong-Cai","Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing ""Codes"" of Bridging Ligands and Metathesis of Metal Units.","Journal of the American Chemical Society","2014","","","141120112955009","","10.1021/ja508822r","","","0.71073","MoKα","","0.0872","0.0441","","","0.0764","0.0832","","","","","","1.005","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122976","26.273","0.005","26.687","0.005","29.106","0.006","90.067","0.003","108.93","0.002","105.381","0.002","18527","6","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C252 H156 Cu12 N36 O84 -","- C252 H156 Cu12 N36 O84 -","- C252 H156 Cu12 N36 O84 -","1","0.5","","Park, Jinhee; Chen, Ying-Pin; Perry, Zachary; Li, Jian-Rong; Zhou, Hong-Cai","Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing ""Codes"" of Bridging Ligands and Metathesis of Metal Units.","Journal of the American Chemical Society","2014","","","141120112955009","","10.1021/ja508822r","","","0.71073","MoKα","","0.2168","0.0815","","","0.1519","0.1634","","","","","","0.88","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122977","31.22","0.01","31.22","0.01","24.656","0.008","90","","90","","90","","24032","13","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C252 H156 Mo12 N36 O80 -","- C252 H156 Mo12 N36 O80 -","- C504 H312 Mo24 N72 O160 -","2","0.125","","Park, Jinhee; Chen, Ying-Pin; Perry, Zachary; Li, Jian-Rong; Zhou, Hong-Cai","Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing ""Codes"" of Bridging Ligands and Metathesis of Metal Units.","Journal of the American Chemical Society","2014","","","141120112955009","","10.1021/ja508822r","","","0.71073","MoKα","","0.2542","0.1353","","","0.2555","0.2847","","","","","","0.994","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122978","31.22","0.03","31.22","0.03","25.05","0.03","90","","90","","90","","24416","4","110","2","110","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C252 H156 Cu5.6 Mo6.4 N36 O78 -","- C252 H156 Cu5.6 Mo6.4 N36 O78 -","- C504 H312 Cu11.2 Mo12.8 N72 O156 -","2","0.125","","Park, Jinhee; Chen, Ying-Pin; Perry, Zachary; Li, Jian-Rong; Zhou, Hong-Cai","Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing ""Codes"" of Bridging Ligands and Metathesis of Metal Units.","Journal of the American Chemical Society","2014","","","141120112955009","","10.1021/ja508822r","","","0.71073","MoKα","","0.3304","0.1434","","","0.2659","0.315","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122979","17.287","0.004","11.975","0.003","18.283","0.004","90","","114.716","0.0018","90","","3438.1","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 N2 P2 -","- C36 H54 N2 P2 -","- C144 H216 N8 P8 -","4","1","","Cui, Jingjing; Li, Yongxin; Ganguly, Rakesh; Inthirarajah, Anusiya; Hirao, Hajime; Kinjo, Rei","Metal-Free σ-Bond Metathesis in Ammonia Activation by a Diazadiphosphapentalene.","Journal of the American Chemical Society","2014","","","141119074650008","","10.1021/ja509963m","","","0.71073","MoKα","","0.141","0.0582","","","0.1184","0.1484","","","","","","0.968","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122980","9.7159","0.0007","12.9229","0.001","16.3051","0.0016","67.064","0.006","81.934","0.006","70.631","0.005","1778.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H57 N3 P2 -","- C36 H57 N3 P2 -","- C72 H114 N6 P4 -","2","1","","Cui, Jingjing; Li, Yongxin; Ganguly, Rakesh; Inthirarajah, Anusiya; Hirao, Hajime; Kinjo, Rei","Metal-Free σ-Bond Metathesis in Ammonia Activation by a Diazadiphosphapentalene.","Journal of the American Chemical Society","2014","","","141119074650008","","10.1021/ja509963m","","","0.71073","MoKα","","0.2111","0.0979","","","0.2259","0.2986","","","","","","1.061","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122981","15.829","0.008","12.119","0.006","19.547","0.01","90","","113.612","0.006","90","","3436","3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 Cl N2 P -","- C36 H56 Cl N2 P -","- C144 H224 Cl4 N8 P4 -","4","1","","Cui, Jingjing; Li, Yongxin; Ganguly, Rakesh; Inthirarajah, Anusiya; Hirao, Hajime; Kinjo, Rei","Metal-Free σ-Bond Metathesis in Ammonia Activation by a Diazadiphosphapentalene.","Journal of the American Chemical Society","2014","","","141119074650008","","10.1021/ja509963m","","","0.71073","MoKα","","0.1089","0.0873","","","0.232","0.2459","","","","","","1.119","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122982","16.3011","0.0011","12.2497","0.0007","19.483","0.0009","90","","113.72","0.0018","90","","3561.8","0.4","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H60 B N2 P -","- C36 H60 B N2 P -","- C144 H240 B4 N8 P4 -","4","1","","Cui, Jingjing; Li, Yongxin; Ganguly, Rakesh; Inthirarajah, Anusiya; Hirao, Hajime; Kinjo, Rei","Metal-Free σ-Bond Metathesis in Ammonia Activation by a Diazadiphosphapentalene.","Journal of the American Chemical Society","2014","","","141119074650008","","10.1021/ja509963m","","","0.71073","MoKα","","0.1179","0.0641","","","0.1578","0.192","","","","","","1.038","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122983","19.1008","0.0013","9.3723","0.0006","20.0296","0.0015","90","","101.868","0.003","90","","3509","0.4","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H55 Cl N2 P2 -","- C36 H55 Cl N2 P2 -","- C144 H220 Cl4 N8 P8 -","4","1","","Cui, Jingjing; Li, Yongxin; Ganguly, Rakesh; Inthirarajah, Anusiya; Hirao, Hajime; Kinjo, Rei","Metal-Free σ-Bond Metathesis in Ammonia Activation by a Diazadiphosphapentalene.","Journal of the American Chemical Society","2014","","","141119074650008","","10.1021/ja509963m","","","0.71073","MoKα","","0.1129","0.0638","","","0.1457","0.1693","","","","","","1.034","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122984","9.5581","0.0018","13.979","0.003","14.962","0.003","114.231","0.008","90.678","0.008","95.787","0.008","1810.6","0.6","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H57 N3 P2 -","- C36 H57 N3 P2 -","- C72 H114 N6 P4 -","2","1","","Cui, Jingjing; Li, Yongxin; Ganguly, Rakesh; Inthirarajah, Anusiya; Hirao, Hajime; Kinjo, Rei","Metal-Free σ-Bond Metathesis in Ammonia Activation by a Diazadiphosphapentalene.","Journal of the American Chemical Society","2014","","","141119074650008","","10.1021/ja509963m","","","0.71073","MoKα","","0.2294","0.0722","","","0.1453","0.1991","","","","","","0.97","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122985","12.9755","0.0006","16.0657","0.0007","17.3774","0.0007","90","","90.158","0.003","90","","3622.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H57 N3 P2 -","- C36 H57 N3 P2 -","- C144 H228 N12 P8 -","4","1","","Cui, Jingjing; Li, Yongxin; Ganguly, Rakesh; Inthirarajah, Anusiya; Hirao, Hajime; Kinjo, Rei","Metal-Free σ-Bond Metathesis in Ammonia Activation by a Diazadiphosphapentalene.","Journal of the American Chemical Society","2014","","","141119074650008","","10.1021/ja509963m","","","0.71073","MoKα","","0.2194","0.0807","","","0.1498","0.206","","","","","","1.02","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122986","10.3885","0.0005","10.4707","0.0005","10.6706","0.0005","111.553","0.004","96.864","0.004","102.719","0.004","1027.04","0.1","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Br F4 N2 O -","- C22 H19 Br F4 N2 O -","- C44 H38 Br2 F8 N4 O2 -","2","1","","Kalz, Kai F.; Brinkmeier, Alexander; Dechert, Sebastian; Mata, Ricardo A.; Meyer, Franc","Functional Model for the [Fe] Hydrogenase Inspired by the Frustrated Lewis Pair Concept.","Journal of the American Chemical Society","2014","","","141117115410006","","10.1021/ja509186d","","","0.71073","MoKα","","0.0261","0.024","","","0.0596","0.0605","","","","","","1.039","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122987","9.0488","0.0017","9.7465","0.0018","11.796","0.002","106.091","0.015","92.927","0.015","110.799","0.014","921.4","0.3","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 F4 N2 -","- C22 H18 F4 N2 -","- C44 H36 F8 N4 -","2","1","","Kalz, Kai F.; Brinkmeier, Alexander; Dechert, Sebastian; Mata, Ricardo A.; Meyer, Franc","Functional Model for the [Fe] Hydrogenase Inspired by the Frustrated Lewis Pair Concept.","Journal of the American Chemical Society","2014","","","141117115410006","","10.1021/ja509186d","","","0.71073","MoKα","","0.0898","0.0474","","","0.1052","0.1224","","","","","","0.915","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122988","9.6121","0.0005","11.8218","0.0005","13.3728","0.0006","76.337","0.004","87.56","0.004","84.662","0.004","1469.84","0.12","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H25 Br F3 N3 O2 Ru -","- C31 H25 Br F3 N3 O2 Ru -","- C62 H50 Br2 F6 N6 O4 Ru2 -","2","1","","Kalz, Kai F.; Brinkmeier, Alexander; Dechert, Sebastian; Mata, Ricardo A.; Meyer, Franc","Functional Model for the [Fe] Hydrogenase Inspired by the Frustrated Lewis Pair Concept.","Journal of the American Chemical Society","2014","","","141117115410006","","10.1021/ja509186d","","","0.71073","MoKα","","0.0423","0.0309","","","0.0669","0.0699","","","","","","1.011","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122989","7.6277","0.0003","16.5219","0.0006","18.3654","0.0007","71.57","0.001","78.105","0.001","89.954","0.001","2143.45","0.14","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H25 Br N2 O2 S Si -","- C22 H25 Br N2 O2 S Si -","- C88 H100 Br4 N8 O8 S4 Si4 -","4","2","","Gandhamsetty, Narasimhulu; Joung, Seewon; Park, Sung-Woo; Park, Sehoon; Chang, Sukbok","Boron-Catalyzed Silylative Reduction of Quinolines: Selective sp(3) C-Si Bond Formation.","Journal of the American Chemical Society","2014","","","141120154130001","","10.1021/ja510674u","","","0.71073","MoKα","","0.0802","0.0599","","","0.1616","0.184","","","","","","1.184","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122990","9.9207","0.0006","11.1361","0.0007","15.2656","0.0009","90","","100.731","0.002","90","","1657.02","0.17","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O3 S -","- C19 H18 N2 O3 S -","- C76 H72 N8 O12 S4 -","4","1","","Gandhamsetty, Narasimhulu; Joung, Seewon; Park, Sung-Woo; Park, Sehoon; Chang, Sukbok","Boron-Catalyzed Silylative Reduction of Quinolines: Selective sp(3) C-Si Bond Formation.","Journal of the American Chemical Society","2014","","","141120154130001","","10.1021/ja510674u","","","0.71073","MoKα","","0.0668","0.0566","","","0.147","0.158","","","","","","1.061","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122991","18.662","0.015","10.727","0.009","11.793","0.01","90","","119.34","0.05","90","","2058","3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H26 N2 O2 S Si -","- C22 H26 N2 O2 S Si -","- C88 H104 N8 O8 S4 Si4 -","4","1","","Gandhamsetty, Narasimhulu; Joung, Seewon; Park, Sung-Woo; Park, Sehoon; Chang, Sukbok","Boron-Catalyzed Silylative Reduction of Quinolines: Selective sp(3) C-Si Bond Formation.","Journal of the American Chemical Society","2014","","","141120154130001","","10.1021/ja510674u","","","0.71073","MoKα","","0.0994","0.0743","","","0.1586","0.1717","","","","","","1.062","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122992","17.1983","0.0012","8.0849","0.0006","17.9476","0.0014","90","","111.473","0.002","90","","2322.3","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 Br N2 O2 S Si -","- C23 H27 Br N2 O2 S Si -","- C92 H108 Br4 N8 O8 S4 Si4 -","4","1","","Gandhamsetty, Narasimhulu; Joung, Seewon; Park, Sung-Woo; Park, Sehoon; Chang, Sukbok","Boron-Catalyzed Silylative Reduction of Quinolines: Selective sp(3) C-Si Bond Formation.","Journal of the American Chemical Society","2014","","","141120154130001","","10.1021/ja510674u","","","0.71073","MoKα","","0.1036","0.0882","","","0.2242","0.2375","","","","","","1.03","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122993","11.0102","0.0005","8.7962","0.0004","22.3342","0.0009","90","","96.328","0.002","90","","2149.84","0.16","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N2 O2 S Si -","- C23 H27 N2 O2 S Si -","- C92 H108 N8 O8 S4 Si4 -","4","1","","Gandhamsetty, Narasimhulu; Joung, Seewon; Park, Sung-Woo; Park, Sehoon; Chang, Sukbok","Boron-Catalyzed Silylative Reduction of Quinolines: Selective sp(3) C-Si Bond Formation.","Journal of the American Chemical Society","2014","","","141120154130001","","10.1021/ja510674u","","","0.71073","MoKα","","0.085","0.0641","","","0.1759","0.1959","","","","","","1.089","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122994","5.8577","0.0003","6.6735","0.0003","12.7807","0.0006","90","","98.084","0.003","90","","494.65","0.04","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C22 H30 N2 O4 -","2","1","","Gandhamsetty, Narasimhulu; Joung, Seewon; Park, Sung-Woo; Park, Sehoon; Chang, Sukbok","Boron-Catalyzed Silylative Reduction of Quinolines: Selective sp(3) C-Si Bond Formation.","Journal of the American Chemical Society","2014","","","141120154130001","","10.1021/ja510674u","","","0.71073","MoKα","","0.0635","0.0432","","","0.0941","0.1015","","","","","","1.081","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122995","38.4265","0.0016","38.4265","0.0016","38.4265","0.0016","90","","90","","90","","56740","4","100","2","100.01","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C144 H72 Fe3 N12 O64 Zr12 -","- C144 H72 Fe3 N12 O64 Zr12 -","- C576 H288 Fe12 N48 O256 Zr48 -","4","0.0416667","","Anderson, John S.; Gallagher, Audrey T.; Mason, Jarad A.; Harris, T. David","A Five-Coordinate Heme Dioxygen Adduct Isolated within a Metal-Organic Framework.","Journal of the American Chemical Society","2014","","","141117151249006","","10.1021/ja5103103","","x-ray","1.54178","CuKα","","0.0825","0.0691","","","0.2273","0.2397","","","","","","1.112","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122996","38.6484","0.0019","38.6484","0.0019","38.6484","0.0019","90","","90","","90","","57729","5","100","2","100.13","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C18 H9 Fe0.38 N1.5 O8.75 Zr1.5 -","- C18 H9 Fe0.375 N1.5 O8.56235 Zr1.5 -","- C576 H288 Fe12 N48 O273.995 Zr48 -","32","0.333333","","Anderson, John S.; Gallagher, Audrey T.; Mason, Jarad A.; Harris, T. David","A Five-Coordinate Heme Dioxygen Adduct Isolated within a Metal-Organic Framework.","Journal of the American Chemical Society","2014","","","141117151249006","","10.1021/ja5103103","","x-ray","1.54178","CuKα","","0.0495","0.0441","","","0.1381","0.1415","","","","","","1.089","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122997","13.0108","0.0013","13.0547","0.0013","37.484","0.004","90","","90","","90","","6366.7","1.1","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C67 H52 B F24 N3 Ni O2 -","- C67 H52 B F24 N3 Ni O2 -","- C268 H208 B4 F96 N12 Ni4 O8 -","4","1","","Schley, Nathan D.; Fu, Gregory C.","Nickel-Catalyzed Negishi Arylations of Propargylic Bromides: A Mechanistic Investigation.","Journal of the American Chemical Society","2014","","","141117163347008","","10.1021/ja508718m","","","0.71073","MoKα","","0.0568","0.04","","","0.0777","0.0848","","","","","","1.026","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122998","10.45","0.002","11.491","0.002","18.143","0.004","90","","99.75","0.03","90","","2147.2","0.8","100","","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H28 N3 Ni O2 -","- C23 H28 N3 Ni O2 -","- C92 H112 N12 Ni4 O8 -","4","2","","Schley, Nathan D.; Fu, Gregory C.","Nickel-Catalyzed Negishi Arylations of Propargylic Bromides: A Mechanistic Investigation.","Journal of the American Chemical Society","2014","","","141117163347008","","10.1021/ja508718m","","","0.7293","synchrotron","","0.0446","0.0401","","","0.1013","0.1031","","","","","","1.007","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122999","21.9265","0.0025","21.9265","0.0025","21.9265","0.0025","90","","90","","90","","10542","2","295","","295","","","","","","","","","5","F m -3","-F 2 2 3","202","Nickel Telurium Triethylphosphine C70 complex","","","- C118 H120 Ni9 P8 Te6 -","- C118.56 H120 Ni9.001 P8 Te6 -","- C474.24 H480 Ni36.004 P32 Te24 -","4","0.0416667","","Lee, Chul-Ho; Liu, Lian; Bejger, Christopher; Turkiewicz, Ari; Goko, Tatsuo; Arguello, Carlos J.; Frandsen, Benjamin A.; Cheung, Sky C.; Medina, Teresa; Munsie, Timothy J. S.; D'Ortenzio, Robert; Luke, Graeme M.; Besara, Tiglet; Lalancette, Roger A.; Siegrist, Theo; Stephens, Peter W.; Crowther, Andrew C.; Brus, Louis E.; Matsuo, Yutaka; Nakamura, Eiichi; Uemura, Yasutomo J.; Kim, Philip; Nuckolls, Colin; Steigerwald, Michael L.; Roy, Xavier","Ferromagnetic Ordering in Superatomic Solids.","Journal of the American Chemical Society","2014","","","141120142959006","","10.1021/ja5098622","powder diffraction","","0.69962","","","","","","","","","","0.009","1.205","","","","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4123000","17.3709","0.0005","17.3709","0.0005","14.927","0.0004","90","","90","","120","","3900.75","0.19","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H72 Ni9 P8 Te6 -","- C24 H72 Ni9 P8 Te6 -","- C72 H216 Ni27 P24 Te18 -","3","0.166667","","Lee, Chul-Ho; Liu, Lian; Bejger, Christopher; Turkiewicz, Ari; Goko, Tatsuo; Arguello, Carlos J.; Frandsen, Benjamin A.; Cheung, Sky C.; Medina, Teresa; Munsie, Timothy J. S.; D'Ortenzio, Robert; Luke, Graeme M.; Besara, Tiglet; Lalancette, Roger A.; Siegrist, Theo; Stephens, Peter W.; Crowther, Andrew C.; Brus, Louis E.; Matsuo, Yutaka; Nakamura, Eiichi; Uemura, Yasutomo J.; Kim, Philip; Nuckolls, Colin; Steigerwald, Michael L.; Roy, Xavier","Ferromagnetic Ordering in Superatomic Solids.","Journal of the American Chemical Society","2014","","","141120142959006","","10.1021/ja5098622","","","0.71073","MoKα","","0.0639","0.0491","","0.1183","0.1007","0.1183","","","","","","1.8766","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123001","14.75719","0.00028","14.75719","0.00028","31.8543","0.00089","90","","90","","120","","6007.7","0.2","295","","295","","","","","","","","","5","R -3 :H","-R 3","148","Nickel Telurium Trimethylphosphine C60 complex","","","- C84 H72 Ni9 P8 Te6 -","- C84 H72 Ni9 P8 Te6 -","- C252 H216 Ni27 P24 Te18 -","3","0.166667","","Lee, Chul-Ho; Liu, Lian; Bejger, Christopher; Turkiewicz, Ari; Goko, Tatsuo; Arguello, Carlos J.; Frandsen, Benjamin A.; Cheung, Sky C.; Medina, Teresa; Munsie, Timothy J. S.; D'Ortenzio, Robert; Luke, Graeme M.; Besara, Tiglet; Lalancette, Roger A.; Siegrist, Theo; Stephens, Peter W.; Crowther, Andrew C.; Brus, Louis E.; Matsuo, Yutaka; Nakamura, Eiichi; Uemura, Yasutomo J.; Kim, Philip; Nuckolls, Colin; Steigerwald, Michael L.; Roy, Xavier","Ferromagnetic Ordering in Superatomic Solids.","Journal of the American Chemical Society","2014","","","141120142959006","","10.1021/ja5098622","powder diffraction","","0.69991","","","","","","","","","","0.009","2.544","","","","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4123002","20.3534","0.001","8.3596","0.0005","22.6457","0.0011","90","","90","","90","","3853.1","0.4","122","1","122","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H38 O8 S4 Si2 -","- C34 H38 O8 S4 Si2 -","- C136 H152 O32 S16 Si8 -","4","0.5","","Parker, Christian R.; Leary, Edmund; Frisenda, Riccardo; Wei, Zhongming; Jennum, Karsten S.; Glibstrup, Emil; Abrahamsen, Peter Bæch; Santella, Marco; Christensen, Mikkel A.; Della Pia, Eduardo Antonio; Li, Tao; Gonzalez, Maria Teresa; Jiang, Xingbin; Morsing, Thorbjørn J; Rubio-Bollinger, Gabino; Laursen, Bo W.; Nørgaard, Kasper; van der Zant, Herre; Agrait, Nicolas; Nielsen, Mogens Brøndsted","A Comprehensive Study of Extended Tetrathiafulvalene Cruciform Molecules for Molecular Electronics: Synthesis and Electrical Transport Measurements.","Journal of the American Chemical Society","2014","","","141117163359006","","10.1021/ja509937k","","","0.71073","MoKα","","0.075","0.0426","","","0.0856","0.0981","","","","","","1.0426","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123003","3.94518","0.0001","3.94518","0.0001","13.13219","0.0001","90","","90","","90","","204.395","0.007","295","","295","","","","","","","","","4","I 4/m m m","-I 4 2","139","Barium Potassium Iron Arsenide","","","- As2 Ba0.83 Fe2 K0.17 -","- As2 Ba0.833 Fe2 K0.167 -","- As4 Ba1.666 Fe4 K0.334 -","2","0.0625","","Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M.","Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route.","Journal of the American Chemical Society","2014","","","141121132150009","","10.1021/ja509907r","powder diffraction","","0.41383","synchrotron","","0.0429","0.0429","","","0.0371","0.0371","","","2.73","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123004","3.88324","0.0001","3.88324","0.0001","13.53814","0.0001","90","","90","","90","","204.149","0.008","293","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","Barium Potassium Iron Arsenide","","","- As2 Ba0.32 Fe2 K0.68 -","- As2 Ba0.317 Fe2 K0.683 -","- As4 Ba0.634 Fe4 K1.366 -","2","0.0625","","Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M.","Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route.","Journal of the American Chemical Society","2014","","","141121132150009","","10.1021/ja509907r","powder diffraction","","0.41383","synchrotron","","0.0617","0.0598","","","0.052","0.052","","","3.29","","","","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123005","3.961","0.006","3.961","0.006","13.02","0.02","90","","90","","90","","204.3","0.5","293","","293","","","","","","","","","3","I 4/m m m","-I 4 2","139","Barium Iron Arsenide","","","- As2 Ba Fe2 -","- As2 Ba Fe2 -","- As4 Ba2 Fe4 -","2","0.0625","","Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M.","Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route.","Journal of the American Chemical Society","2014","","","141121132150009","","10.1021/ja509907r","powder diffraction","","0.41383","synchrotron","","0.0436","0.0399","","","0.0247","0.0248","","","2.09","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123006","3.94518","0.0001","3.94518","0.0001","13.13219","0.0001","90","","90","","90","","204.395","0.007","293","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","Barium Potassium Iron Arsenide","","","- As2 Ba0.84 Fe2 K0.16 -","- As2 Ba0.839 Fe2 K0.161 -","- As4 Ba1.678 Fe4 K0.322 -","2","0.0625","","Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M.","Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route.","Journal of the American Chemical Society","2014","","","141121132150009","","10.1021/ja509907r","powder diffraction","","0.41383","synchrotron","","0.0438","0.0437","","","0.038","0.038","","","3.49","","","","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123007","3.90675","0.0001","3.90675","0.0001","13.37425","0.0001","90","","90","","90","","204.127","0.008","293","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","Barium Potassium Iron Arsenide","","","- As2 Ba0.52 Fe2 K0.48 -","- As2 Ba0.523 Fe2 K0.477 -","- As4 Ba1.046 Fe4 K0.954 -","2","0.0625","","Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M.","Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route.","Journal of the American Chemical Society","2014","","","141121132150009","","10.1021/ja509907r","powder diffraction","","0.41383","synchrotron","","0.0708","0.0634","","","0.0425","0.0426","","","2.6","","","","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123008","3.849","0.002","3.849","0.002","13.867","0.003","90","","90","","90","","205.44","0.16","293","","293","","","","","","","","","3","I 4/m m m","-I 4 2","139","Potassium Iron Arsenide","","","- As2 Fe2 K -","- As2 Fe1.854 K -","- As4 Fe3.708 K2 -","2","0.0625","","Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M.","Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route.","Journal of the American Chemical Society","2014","","","141121132150009","","10.1021/ja509907r","powder diffraction","","0.41383","synchrotron","","0.1171","0.083","","","0.06","0.061","","","1.76","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123009","5.6139","0.0001","5.5746","0.0001","12.9594","0.0003","90","","90","","90","","405.568","0.014","100","","100","","","","","","","","","3","F m m m","-F 2 2","69","Barium Iron Arsenide","","","- As2 Ba Fe2 -","- As2 Ba Fe2 -","- As8 Ba4 Fe8 -","4","0.125","","Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M.","Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route.","Journal of the American Chemical Society","2014","","","141121132150009","","10.1021/ja509907r","powder diffraction","","0.41383","synchrotron","","0.0336","0.0336","","","0.028","0.028","","","1.82","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123010","5.5864","0.0002","5.5564","0.0002","13.061","0.006","90","","90","","90","","405.42","0.19","100","","100","","","","","","","","","4","F m m m","-F 2 2","69","Barium Potassium Iron Arsenide","","","- As2 Ba0.84 Fe2 K0.16 -","- As2 Ba0.838 Fe2 K0.162 -","- As8 Ba3.352 Fe8 K0.648 -","4","0.125","","Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M.","Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route.","Journal of the American Chemical Society","2014","","","141121132150009","","10.1021/ja509907r","powder diffraction","","0.41383","synchrotron","","0.0369","0.0369","","","0.037","0.037","","","1.97","","","","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123011","13.0544","0.0004","10.6929","0.0003","17.401","0.0005","90","","101.818","0.003","90","","2377.51","0.12","180","0.14","180","0.14","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Cl3 N O P Pd -","- C23 H23 Cl3 N O P Pd -","- C92 H92 Cl12 N4 O4 P4 Pd4 -","4","1","","Larionov, Evgeny; Lin, Luqing; Guénée, Laure; Mazet, Clément","Scope and Mechanism in Palladium-Catalyzed Isomerizations of Highly Substituted Allylic, Homoallylic, and Alkenyl Alcohols.","Journal of the American Chemical Society","2014","","","141121132216006","","10.1021/ja508736u","","x-ray","1.54184","CuKα","","0.0343","0.0328","","","0.0852","0.0864","","","","","","1.062","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123012","7.5365","0.0003","9.4101","0.0003","10.7721","0.0003","93.659","0.002","108.172","0.003","100.009","0.003","709.09","0.04","180","2","180","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H51 Cl P2 Pd -","- C27 H51 Cl P2 Pd -","- C27 H51 Cl P2 Pd -","1","1","","Larionov, Evgeny; Lin, Luqing; Guénée, Laure; Mazet, Clément","Scope and Mechanism in Palladium-Catalyzed Isomerizations of Highly Substituted Allylic, Homoallylic, and Alkenyl Alcohols.","Journal of the American Chemical Society","2014","","","141121132216006","","10.1021/ja508736u","","","1.54184","CuKα","","0.0201","0.0201","","","0.0534","0.0534","","","","","","0.934","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123013","11.204","0.0005","15.3731","0.0007","19.3918","0.0008","90","","118.028","0.003","90","","2948.3","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H42 F6 O7 P2 Pd S2 -","- C20 H42 F6 O7 P2 Pd S2 -","- C80 H168 F24 O28 P8 Pd4 S8 -","4","1","","Roesle, Philipp; Caporaso, Lucia; Schnitte, Manuel; Goldbach, Verena; Cavallo, Luigi; Mecking, Stefan","A Comprehensive Mechanistic Picture of the Isomerizing Alkoxycarbonylation of Plant Oils","Journal of the American Chemical Society","2014","","","141121132036004","","10.1021/ja508447d","","","0.71073","MoKα","","0.0327","0.0247","","","0.0581","0.06","","","","","","1.036","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123014","18.639","0.0018","8.4318","0.0005","14.4869","0.0014","90","","109.106","0.007","90","","2151.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H38 Cl2 P2 Pd -","- C17 H38 Cl2 P2 Pd -","- C68 H152 Cl8 P8 Pd4 -","4","1","","Roesle, Philipp; Caporaso, Lucia; Schnitte, Manuel; Goldbach, Verena; Cavallo, Luigi; Mecking, Stefan","A Comprehensive Mechanistic Picture of the Isomerizing Alkoxycarbonylation of Plant Oils","Journal of the American Chemical Society","2014","","","141121132036004","","10.1021/ja508447d","","","0.71073","MoKα","","0.0324","0.0239","","","0.0477","0.0493","","","","","","1.011","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123015","10.7915","0.0006","11.2935","0.0006","12.4906","0.0007","89.818","0.005","85.071","0.005","86.76","0.005","1514.22","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H44 F6 O6 P2 Pd S2 -","- C22 H44 F6 O6 P2 Pd S2 -","- C44 H88 F12 O12 P4 Pd2 S4 -","2","1","","Roesle, Philipp; Caporaso, Lucia; Schnitte, Manuel; Goldbach, Verena; Cavallo, Luigi; Mecking, Stefan","A Comprehensive Mechanistic Picture of the Isomerizing Alkoxycarbonylation of Plant Oils","Journal of the American Chemical Society","2014","","","141121132036004","","10.1021/ja508447d","","","0.71073","MoKα","","0.0306","0.0252","","","0.0516","0.0525","","","","","","1.042","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123016","13.3167","0.0008","11.4282","0.0005","16.5889","0.001","90","","112.288","0.005","90","","2336","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H81 F3 O4 P4 Pd2 S -","- C38 H81 F3 O4 P4 Pd2 S -","- C76 H162 F6 O8 P8 Pd4 S2 -","2","1","","Roesle, Philipp; Caporaso, Lucia; Schnitte, Manuel; Goldbach, Verena; Cavallo, Luigi; Mecking, Stefan","A Comprehensive Mechanistic Picture of the Isomerizing Alkoxycarbonylation of Plant Oils","Journal of the American Chemical Society","2014","","","141121132036004","","10.1021/ja508447d","","","0.71073","MoKα","","0.0276","0.0259","","","0.0626","0.0632","","","","","","1.044","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123017","14.3747","0.0007","9.705","0.0003","17.8111","0.0009","90","","112.703","0.004","90","","2292.24","0.19","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H26 F6 O6 P2 Pd S2 -","- C13 H26 F6 O6 P2 Pd S2 -","- C52 H104 F24 O24 P8 Pd4 S8 -","4","1","","Roesle, Philipp; Caporaso, Lucia; Schnitte, Manuel; Goldbach, Verena; Cavallo, Luigi; Mecking, Stefan","A Comprehensive Mechanistic Picture of the Isomerizing Alkoxycarbonylation of Plant Oils","Journal of the American Chemical Society","2014","","","141121132036004","","10.1021/ja508447d","","","0.71073","MoKα","","0.0369","0.0282","","","0.0601","0.0624","","","","","","1.023","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123018","10.3945","0.0004","20.9158","0.001","15.8422","0.0008","90","","110.059","0.003","90","","3235.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H51 F3 O3 P2 Pd S -","- C29 H51 F3 O3 P2 Pd S -","- C116 H204 F12 O12 P8 Pd4 S4 -","4","1","","Roesle, Philipp; Caporaso, Lucia; Schnitte, Manuel; Goldbach, Verena; Cavallo, Luigi; Mecking, Stefan","A Comprehensive Mechanistic Picture of the Isomerizing Alkoxycarbonylation of Plant Oils","Journal of the American Chemical Society","2014","","","141121132036004","","10.1021/ja508447d","","","0.71073","MoKα","","0.0584","0.0471","","","0.1155","0.1205","","","","","","1.025","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123019","30.2938","0.001","10.505","0.0004","21.3012","0.0008","90","","125.849","0.002","90","","5494.7","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H36 F6 O7 P2 Pd S2 -","- C17 H36 F6 O7 P2 Pd S2 -","- C136 H288 F48 O56 P16 Pd8 S16 -","8","1","","Roesle, Philipp; Caporaso, Lucia; Schnitte, Manuel; Goldbach, Verena; Cavallo, Luigi; Mecking, Stefan","A Comprehensive Mechanistic Picture of the Isomerizing Alkoxycarbonylation of Plant Oils","Journal of the American Chemical Society","2014","","","141121132036004","","10.1021/ja508447d","","","0.71073","MoKα","","0.0323","0.0235","","","0.0493","0.051","","","","","","1.032","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123020","19.2399","0.0015","16.7691","0.0013","24.62","0.002","90","","90","","90","","7943.3","1.1","15","","15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H35 Co4 F6 N5 O12 P -","- C30 H35 Co4 F6 N5 O12 P -","- C240 H280 Co32 F48 N40 O96 P8 -","8","1","","Ullman, Andrew M.; Liu, Yi; Huynh, Michael; Bediako, D. Kwabena; Wang, Hongsen; Anderson, Bryce L.; Powers, David C.; Breen, John J.; Abruña, Héctor D; Nocera, Daniel G.","Water Oxidation Catalysis by Co(II) Impurities in Co(III)4O4 Cubanes.","Journal of the American Chemical Society","2014","","","141204115603004","","10.1021/ja5110393","","","0.41328","synchrotron","","0.0527","0.0336","","","0.0931","0.1187","","","","","","1.211","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4123021","12.7759","0.0005","13.4483","0.0005","13.7997","0.0005","63.766","0.001","74.697","0.002","64.887","0.001","1917.2","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H51 F3 Fe N7 O4 S -","- C37 H51 F3 Fe N7 O4 S -","- C74 H102 F6 Fe2 N14 O8 S2 -","2","1","","Matson, Ellen M.; Park, Yun Ji; Fout, Alison R.","Facile Nitrite Reduction in a Non-heme Iron System: Formation of an Iron(III)-Oxo.","Journal of the American Chemical Society","2014","","","141203122255000","","10.1021/ja510615p","","","0.71073","MoKα","","0.056","0.0387","","","0.0957","0.1028","","","","","","1.05","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123022","14.4321","0.0004","23.909","0.0006","25.8489","0.0007","90","","90","","90","","8919.3","0.4","104","2","104","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H61 F3 N8 O6 S Zn -","- C41 H61 F3 N8 O6 S Zn -","- C328 H488 F24 N64 O48 S8 Zn8 -","8","1","","Matson, Ellen M.; Park, Yun Ji; Fout, Alison R.","Facile Nitrite Reduction in a Non-heme Iron System: Formation of an Iron(III)-Oxo.","Journal of the American Chemical Society","2014","","","141203122255000","","10.1021/ja510615p","","","0.71073","MoKα","","0.0747","0.0547","","","0.1346","0.151","","","","","","1.034","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123023","5.8916","0.0003","11.8596","0.0005","25.8111","0.0011","90","","92.489","0.003","90","","1801.77","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C80 H88 N8 O16 -","4","2","","Guo, Chang; Sahoo, Basudev; Daniliuc, Constantin G.; Glorius, Frank","N-Heterocyclic Carbene Catalyzed Switchable Reactions of Enals with Azoalkenes: Formal [4 + 3] and [4 + 1] Annulations for the Synthesis of 1,2-Diazepines and Pyrazoles.","Journal of the American Chemical Society","2014","","","141203132036004","","10.1021/ja510737n","","","1.54178","CuKα","","0.0762","0.0542","","","0.1121","0.1222","","","","","","1.054","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123024","10.1545","0.0003","10.4775","0.0003","38.4179","0.001","90","","90","","90","","4087.4","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 F3 N O -","- C22 H26 F3 N O -","- C176 H208 F24 N8 O8 -","8","2","","Watson, Charlotte G.; Balanta, Angelica; Elford, Tim G.; Essafi, Stéphanie; Harvey, Jeremy N.; Aggarwal, Varinder K.","Construction of Multiple, Contiguous Quaternary Stereocenters in Acyclic Molecules by Lithiation-Borylation.","Journal of the American Chemical Society","2014","","","141203101453003","","10.1021/ja509029h","","","0.71073","MoKα","","0.0813","0.0505","","","0.0929","0.1047","","","","","","1.01","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123025","7.6822","0.0002","13.245","0.0004","9.5272","0.0003","90","","107.126","0.002","90","","926.42","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 F3 N O -","- C21 H24 F3 N O -","- C42 H48 F6 N2 O2 -","2","1","","Watson, Charlotte G.; Balanta, Angelica; Elford, Tim G.; Essafi, Stéphanie; Harvey, Jeremy N.; Aggarwal, Varinder K.","Construction of Multiple, Contiguous Quaternary Stereocenters in Acyclic Molecules by Lithiation-Borylation.","Journal of the American Chemical Society","2014","","","141203101453003","","10.1021/ja509029h","","","0.71073","MoKα","","0.0423","0.0349","","","0.078","0.0817","","","","","","1.038","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123026","9.4867","0.0015","9.7387","0.0015","20.945","0.003","90","","90","","90","","1935.1","0.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 F3 N O2 -","- C21 H24 F3 N O2 -","- C84 H96 F12 N4 O8 -","4","1","","Watson, Charlotte G.; Balanta, Angelica; Elford, Tim G.; Essafi, Stéphanie; Harvey, Jeremy N.; Aggarwal, Varinder K.","Construction of Multiple, Contiguous Quaternary Stereocenters in Acyclic Molecules by Lithiation-Borylation.","Journal of the American Chemical Society","2014","","","141203101453003","","10.1021/ja509029h","","","1.54178","CuKα","","0.0339","0.0337","","","0.0968","0.097","","","","","","1.153","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123027","9.9876","0.0003","10.1713","0.0003","12.4643","0.0004","90","","101.604","0.002","90","","1240.33","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 F3 N O2 -","- C29 H32 F3 N O2 -","- C58 H64 F6 N2 O4 -","2","1","","Watson, Charlotte G.; Balanta, Angelica; Elford, Tim G.; Essafi, Stéphanie; Harvey, Jeremy N.; Aggarwal, Varinder K.","Construction of Multiple, Contiguous Quaternary Stereocenters in Acyclic Molecules by Lithiation-Borylation.","Journal of the American Chemical Society","2014","","","141203101453003","","10.1021/ja509029h","","","0.71073","MoKα","","0.0421","0.0343","","","0.0737","0.0773","","","","","","1.029","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123028","9.9486","0.0002","13.0728","0.0003","16.3326","0.0004","90","","90","","90","","2124.15","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 O2 -","- C27 H32 O2 -","- C108 H128 O8 -","4","1","","Watson, Charlotte G.; Balanta, Angelica; Elford, Tim G.; Essafi, Stéphanie; Harvey, Jeremy N.; Aggarwal, Varinder K.","Construction of Multiple, Contiguous Quaternary Stereocenters in Acyclic Molecules by Lithiation-Borylation.","Journal of the American Chemical Society","2014","","","141203101453003","","10.1021/ja509029h","","","0.71073","MoKα","","0.0396","0.0333","","","0.0732","0.0763","","","","","","1.024","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123029","8.1664","0.0001","26.8552","0.0004","8.7672","0.0001","90","","105.364","0.0009","90","","1854.02","0.04","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C88 H92 N4 O12 S4 -","4","1","","Kumar, Puneet; Thakur, Ashish; Hong, Xin; Houk, K. N.; Louie, Janis","Ni(NHC)]-Catalyzed Cycloaddition of Diynes and Tropone: Apparent Enone Cycloaddition Involving an 8π Insertion.","Journal of the American Chemical Society","2014","","","141205115205004","","10.1021/ja5105206","","","0.71073","MoKα","","0.063","0.0423","","","0.1076","0.1204","","","","","","1.021","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123030","10.7009","0.0001","11.9592","0.0002","12.041","0.0002","95.2769","0.0008","111.332","0.001","110.844","0.0009","1297.32","0.04","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 Br N O4 S -","- C29 H26 Br N O4 S -","- C58 H52 Br2 N2 O8 S2 -","2","1","","Kumar, Puneet; Thakur, Ashish; Hong, Xin; Houk, K. N.; Louie, Janis","Ni(NHC)]-Catalyzed Cycloaddition of Diynes and Tropone: Apparent Enone Cycloaddition Involving an 8π Insertion.","Journal of the American Chemical Society","2014","","","141205115205004","","10.1021/ja5105206","","","0.71073","MoKα","","0.0483","0.0347","","","0.0854","0.092","","","","","","1.023","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123031","5.8864","0.0003","9.254","0.0006","12.6617","0.0007","104.549","0.002","95.9357","0.0014","105.233","0.0015","633.46","0.06","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H41 N O4 S -","- C26 H41 N O4 S -","- C26 H41 N O4 S -","1","1","","Trost, Barry M.; Ryan, Michael C.; Rao, Meera; Markovic, Tim Z.","Construction of Enantioenriched [3.1.0] Bicycles via a Ruthenium-Catalyzed Asymmetric Redox Bicycloisomerization Reaction.","Journal of the American Chemical Society","2014","","","141203130348009","","10.1021/ja510968h","","","1.54184","CuKα","","0.025","0.0249","","","0.0627","0.0628","","","","","","1.079","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123032","10.8661","0.0008","15.5141","0.0011","16.9911","0.0012","90","","100.56","0.001","90","","2815.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Ce Co N4 O14 -","- C23 H24 Ce Co N4 O14 -","- C92 H96 Ce4 Co4 N16 O56 -","4","1","","Elias, Joseph S.; Risch, Marcel; Giordano, Livia; Mansour, Azzam N.; Shao-Horn, Yang","Structure, Bonding, and Catalytic Activity of Monodisperse, Transition-Metal-Substituted CeO2 Nanoparticles.","Journal of the American Chemical Society","2014","","","141126140831004","","10.1021/ja509214d","","","0.71073","MoKα","","0.0328","0.0284","","","0.0769","0.0806","","","","","","1.037","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123033","9.3373","0.0009","11.5258","0.0011","13.0679","0.0013","67.652","0.002","71.758","0.002","70.559","0.002","1198.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 Ce2 Cu2 N10 O26 -","- C38 H40 Ce2 Cu2 N10 O26 -","- C38 H40 Ce2 Cu2 N10 O26 -","1","0.5","","Elias, Joseph S.; Risch, Marcel; Giordano, Livia; Mansour, Azzam N.; Shao-Horn, Yang","Structure, Bonding, and Catalytic Activity of Monodisperse, Transition-Metal-Substituted CeO2 Nanoparticles.","Journal of the American Chemical Society","2014","","","141126140831004","","10.1021/ja509214d","","","0.71073","MoKα","","0.0166","0.015","","","0.0381","0.0387","","","","","","1.037","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123034","9.7345","0.0007","17.2662","0.0012","18.0756","0.0012","90","","91.003","0.001","90","","3037.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Ce N7 Ni O13 -","- C23 H26 Ce N7 Ni O13 -","- C92 H104 Ce4 N28 Ni4 O52 -","4","1","","Elias, Joseph S.; Risch, Marcel; Giordano, Livia; Mansour, Azzam N.; Shao-Horn, Yang","Structure, Bonding, and Catalytic Activity of Monodisperse, Transition-Metal-Substituted CeO2 Nanoparticles.","Journal of the American Chemical Society","2014","","","141126140831004","","10.1021/ja509214d","","","0.71073","MoKα","","0.0199","0.0171","","","0.0414","0.0425","","","","","","1.021","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123035","12.082","0.0004","14.092","0.0004","23.209","0.001","95.839","0.0011","92.629","0.0011","102.239","0.002","3832.5","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","moris371","","","- C66 H90 N6 Si6 Th -","- C66 H114 N6 Si6 Th -","- C132 H228 N12 Si12 Th2 -","2","1","","Karmel, Isabell S. R.; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Mono(imidazolin-2-iminato) Actinide Complexes: Synthesis and Application in the Catalytic Dimerization of Aldehydes","Journal of the American Chemical Society","2014","136","49","17180","17192","10.1021/ja5091436","","","0.71073","MoKα","","0.1691","0.0849","","","0.173","0.2008","","","","","","1.06","","","","has coordinates","189366","2020-10-21","18:00:00",""
"4123036","12.044","0.0002","14.056","0.0003","23.188","0.0004","95.588","0.0018","92.653","0.0015","102.178","0.0008","3809.92","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","moris372","","","- C66 H90 N6 Si6 U -","- C66 H114 N6 Si6 U -","- C132 H228 N12 Si12 U2 -","2","1","","Karmel, Isabell S. R.; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Mono(imidazolin-2-iminato) Actinide Complexes: Synthesis and Application in the Catalytic Dimerization of Aldehydes","Journal of the American Chemical Society","2014","136","49","17180","17192","10.1021/ja5091436","","","0.71073","MoKα","","0.0799","0.0545","","","0.1384","0.1526","","","","","","1.073","","","","has coordinates","189366","2020-10-21","18:00:00",""
"4123037","21.675","0.0008","12.284","0.0011","20.007","0.0014","90","","99.745","0.004","90","","5250.1","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Moris379","","","- C39 H78 N6 Si6 U -","- C39 H78 N6 Si6 U -","- C156 H312 N24 Si24 U4 -","4","1","","Karmel, Isabell S. R.; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Mono(imidazolin-2-iminato) Actinide Complexes: Synthesis and Application in the Catalytic Dimerization of Aldehydes","Journal of the American Chemical Society","2014","136","49","17180","17192","10.1021/ja5091436","","","0.71073","MoKα","","0.0522","0.035","","","0.0788","0.0837","","","","","","1.023","","","","has coordinates","189366","2020-10-21","18:00:00",""
"4123038","21.675","0.0008","12.284","0.0011","20.007","0.0014","90","","99.745","0.004","90","","5250.1","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Moris380","","","- C39 H78 N6 Si6 Th -","- C39 H78 N6 Si6 Th -","- C156 H312 N24 Si24 Th4 -","4","1","","Karmel, Isabell S. R.; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Mono(imidazolin-2-iminato) Actinide Complexes: Synthesis and Application in the Catalytic Dimerization of Aldehydes","Journal of the American Chemical Society","2014","136","49","17180","17192","10.1021/ja5091436","","","0.71073","MoKα","","0.1047","0.0701","","","0.0951","0.1029","","","","","","1.142","","","","has coordinates","189366","2020-10-21","18:00:00",""
"4123039","11.954","0.0004","19.277","0.0008","19.413","0.0004","90","","90","","90","","4473.5","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Moris382","","","- C29 H74 N6 Si6 U -","- C29 H74 N6 Si6 U -","- C116 H296 N24 Si24 U4 -","4","1","","Karmel, Isabell S. R.; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Mono(imidazolin-2-iminato) Actinide Complexes: Synthesis and Application in the Catalytic Dimerization of Aldehydes","Journal of the American Chemical Society","2014","136","49","17180","17192","10.1021/ja5091436","","","0.71073","MoKα","","0.0407","0.0351","","","0.0713","0.0728","","","","","","1.124","","","","has coordinates","189366","2020-10-21","18:00:00",""
"4123040","11.954","0.0004","19.277","0.0008","19.413","0.0004","90","","90","","90","","4473.5","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Moris383","","","- C29 H74 N6 Si6 Th -","- C29 H74 N6 Si6 Th -","- C116 H296 N24 Si24 Th4 -","4","1","","Karmel, Isabell S. R.; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Mono(imidazolin-2-iminato) Actinide Complexes: Synthesis and Application in the Catalytic Dimerization of Aldehydes","Journal of the American Chemical Society","2014","136","49","17180","17192","10.1021/ja5091436","","","0.71073","MoKα","","0.0494","0.0423","","","0.0608","0.0622","","","","","","1.164","","","","has coordinates","189366","2020-10-21","18:00:00",""
"4123041","13.5984","0.0017","15.999","0.002","26.25","0.003","91.7738","0.0014","100.245","0.002","100.191","0.002","5519.8","1.2","123.15","","123.15","","","","","","","","","6","P -1","-P 1","2","","","","- C112 H156 K4 N4 O12 V2 -","- C112 H156 K4 N4 O12 V2 -","- C224 H312 K8 N8 O24 V4 -","2","1","","Ishida, Yutaka; Kawaguchi, Hiroyuki","Nitrogen Atom Transfer from a Dinitrogen-Derived Vanadium Nitride Complex to Carbon Monoxide and Isocyanide.","Journal of the American Chemical Society","2014","","","141125125639001","","10.1021/ja510317h","","","0.71075","MoKα","","0.0817","0.0615","","","0.1473","0.1622","","","","","","1.068","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123042","17.064","0.002","17.2356","0.0015","18.934","0.002","116.88","0.009","96.196","0.009","109.314","0.009","4462.8","1.1","123","","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H127 K2 N4 O8 V2 -","- C93 H127 K2 N4 O8 V2 -","- C186 H254 K4 N8 O16 V4 -","2","1","","Ishida, Yutaka; Kawaguchi, Hiroyuki","Nitrogen Atom Transfer from a Dinitrogen-Derived Vanadium Nitride Complex to Carbon Monoxide and Isocyanide.","Journal of the American Chemical Society","2014","","","141125125639001","","10.1021/ja510317h","","","0.71075","MoKα","","0.1711","0.0736","","","0.1494","0.2237","","","","","","1.135","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123043","13.168","0.003","14.008","0.003","20.555","0.004","108.112","0.0019","91.266","0.0019","116.77","0.003","3158.2","1.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H94 K N4 O10 V -","- C64 H94 K N4 O10 V -","- C128 H188 K2 N8 O20 V2 -","2","1","","Ishida, Yutaka; Kawaguchi, Hiroyuki","Nitrogen Atom Transfer from a Dinitrogen-Derived Vanadium Nitride Complex to Carbon Monoxide and Isocyanide.","Journal of the American Chemical Society","2014","","","141125125639001","","10.1021/ja510317h","","","0.71075","MoKα","","0.1003","0.0649","","","0.1341","0.1565","","","","","","1.06","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123044","13.6344","0.0017","13.6344","0.0017","34.41","0.004","90","","90","","120","","5539.7","1.2","123","2","123","2","","","","","","","","6","P 32","P 32","145","","","","- C76 H111 K N5 O10 V -","- C76 H111 K N5 O10 V -","- C228 H333 K3 N15 O30 V3 -","3","1","","Ishida, Yutaka; Kawaguchi, Hiroyuki","Nitrogen Atom Transfer from a Dinitrogen-Derived Vanadium Nitride Complex to Carbon Monoxide and Isocyanide.","Journal of the American Chemical Society","2014","","","141125125639001","","10.1021/ja510317h","","","0.71075","MoKα","","0.0733","0.0558","","","0.1204","0.1332","","","","","","1.053","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123045","7.9111","0.0003","11.4711","0.0004","15.1101","0.0006","96.671","0.002","102.582","0.002","97.379","0.002","1312.41","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(BPI)Cu(3,4-OMe2)","hartwig65","","- C27.61 H23 Cl1.23 Cu N5 O4.39 -","- C27.614 H23 Cl1.228 Cu N5 O4.386 -","- C55.228 H46 Cl2.456 Cu2 N10 O8.772 -","2","1","","Tran, Ba L.; Driess, Matthias; Hartwig, John F.","Copper-Catalyzed Oxidative Dehydrogenative Carboxylation of Unactivated Alkanes to Allylic Esters via Alkenes.","Journal of the American Chemical Society","2014","","","141125144245005","","10.1021/ja510093x","","","0.71073","MoKα","","0.0443","0.0387","","","0.0901","0.0945","","","","","","1.042","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4123046","14.0463","0.0006","22.0426","0.0009","7.97","0.0003","90","","96.867","0.002","90","","2449.95","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(BPI)Cu(2,6-OMe2)","hartwig64","","- C27 H25 Cu N5 O6 -","- C27 H25 Cu N5 O6 -","- C108 H100 Cu4 N20 O24 -","4","1","","Tran, Ba L.; Driess, Matthias; Hartwig, John F.","Copper-Catalyzed Oxidative Dehydrogenative Carboxylation of Unactivated Alkanes to Allylic Esters via Alkenes.","Journal of the American Chemical Society","2014","","","141125144245005","","10.1021/ja510093x","","","0.71073","MoKα","","0.0383","0.03","","","0.0672","0.0709","","","","","","1.039","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123047","15.683","0.003","15.683","0.003","11.5526","0.0016","90","","90","","120","","2460.8","0.7","173","2","173","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C16 In N2 O9.5 -","- C16 In N2 O9.5 -","- C48 In3 N6 O28.5 -","3","0.25","","Pan, Liang; Liu, Gang; Li, Hui; Meng, Sheng; Han, Lei; Shang, Jie; Chen, Bin; Platero-Prats, Ana E; Lu, Wei; Zou, Xiaodong; Li, Run-Wei","A Resistance-Switchable and Ferroelectric Metal-Organic Framework.","Journal of the American Chemical Society","2014","","","141203161926003","","10.1021/ja508592f","","","0.71073","MoKα","","0.1152","0.0744","","","0.2025","0.2198","","","","","","1.087","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123048","10.7302","0.001","10.1147","0.0009","16.0345","0.0015","90","","90.386","0.002","90","","1740.2","0.3","130","","130","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 O -","- C22 H26 O -","- C88 H104 O4 -","4","1","","Zhao, Chenglong; Jia, Xiao; Wang, Xuan; Gong, Hegui","Ni-Catalyzed Reductive Coupling of Alkyl Acids with Unactivated Tertiary Alkyl and Glycosyl Halides.","Journal of the American Chemical Society","2014","","","141204123340001","","10.1021/ja510653n","","","0.71073","MoKα","","0.0831","0.0554","","","0.1391","0.1573","","","","","","1.047","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123049","8.227","0.0009","26.921","0.003","10.8369","0.0011","90","","90.331","0.006","90","","2400.1","0.4","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H32 Br N O2 -","- C27 H32 Br N O2 -","- C108 H128 Br4 N4 O8 -","4","2","","Murakami, Keiichi; Sasano, Yusuke; Tomizawa, Masaki; Shibuya, Masatoshi; Kwon, Eunsang; Iwabuchi, Yoshiharu","Highly Enantioselective Organocatalytic Oxidative Kinetic Resolution of Secondary Alcohols Using Chiral Alkoxyamines as Precatalysts: Catalyst Structure, Active Species, and Substrate Scope.","Journal of the American Chemical Society","2014","","","141205132142002","","10.1021/ja509766f","","","0.71075","MoKα","","","0.0581","","","","0.1305","","","","","","1.117","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123050","18.3041","0.0019","17.6314","0.0018","14.4784","0.0015","90","","90","","90","","4672.6","0.8","301","2","301","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H24 S3 Si -","- C24 H24 S3 Si -","- C192 H192 S24 Si8 -","8","2","","Chan, Jacky Chi-Hung; Lam, Wai Han; Yam, Vivian Wing-Wah","A Highly Efficient Silole-Containing Dithienylethene with Excellent Thermal Stability and Fatigue Resistance: A Promising Candidate for Optical Memory Storage Materials.","Journal of the American Chemical Society","2014","","","141126091854009","","10.1021/ja5101855","","","0.71073","MoKα","","0.063","0.0496","","","0.1204","0.1296","","","","","","1.027","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123051","21.954","0.003","22.904","0.003","24.02","0.005","111.03","0.002","106.034","0.002","107.928","0.002","9656","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C312 H496 Ga12 N10 O170 Tl1.4 -","- C287.2 H250 Ga12 N7.2 O128.8 Tl1.4 -","- C287.2 H250 Ga12 N7.2 O128.8 Tl1.4 -","1","0.5","","Kumari, Harshita; Jin, Ping; Teat, Simon J.; Barnes, Charles L.; Dalgarno, Scott J.; Atwood, Jerry L.","Strong Cation···π Interactions Promote the Capture of Metal Ions within Metal-Seamed Nanocapsule.","Journal of the American Chemical Society","2014","","","141126123744004","","10.1021/ja5107354","","","0.71073","MoKα","","0.2019","0.1029","","","0.2882","0.3721","","","","","","1.174","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123052","21.834","0.002","22.851","0.003","23.985","0.004","111.113","0.002","105.909","0.002","108.18","0.001","9545","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C288 H528 Ga12 N14 O178 Rb1.77 Tl1.74 -","- C278.8 H260.2 Ga12 N10.5 O136.4 Rb1.768 Tl1.74 -","- C278.8 H260.2 Ga12 N10.5 O136.4 Rb1.768 Tl1.74 -","1","0.5","","Kumari, Harshita; Jin, Ping; Teat, Simon J.; Barnes, Charles L.; Dalgarno, Scott J.; Atwood, Jerry L.","Strong Cation···π Interactions Promote the Capture of Metal Ions within Metal-Seamed Nanocapsule.","Journal of the American Chemical Society","2014","","","141126123744004","","10.1021/ja5107354","","","0.71073","MoKα","","0.2003","0.101","","","0.293","0.357","","","","","","1.115","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123053","21.915","0.0017","22.9674","0.0017","24.021","0.003","111.226","0.001","106.028","0.001","107.9","0.001","9648","1.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C298 H552 Ga12 K2 N8 O148 Tl0.74 -","- C281.5 H276 Ga12 K2 N6 O134.4 Tl0.74 -","- C281.5 H276 Ga12 K2 N6 O134.4 Tl0.74 -","1","0.5","","Kumari, Harshita; Jin, Ping; Teat, Simon J.; Barnes, Charles L.; Dalgarno, Scott J.; Atwood, Jerry L.","Strong Cation···π Interactions Promote the Capture of Metal Ions within Metal-Seamed Nanocapsule.","Journal of the American Chemical Society","2014","","","141126123744004","","10.1021/ja5107354","","","0.71073","MoKα","","0.1343","0.0844","","","0.2542","0.305","","","","","","1.065","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123054","19.225","0.005","23.737","0.006","25.093","0.006","79.918","0.006","71.066","0.006","77.757","0.006","10515","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H304 N36 O98 Pd6 -","- C144 H180 N31 O21 Pd6 -","- C288 H360 N62 O42 Pd12 -","2","1","","Samanta, Dipak; Mukherjee, Partha Sarathi","Sunlight-Induced Covalent Marriage of Two Triply Interlocked Pd6 Cages and Their Facile Thermal Separation.","Journal of the American Chemical Society","2014","","","141201090511001","","10.1021/ja511360e","","","0.71073","MoKα","","0.1819","0.149","","","0.413","0.4312","","","","","","1.672","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123055","18.9972","0.0019","23.139","0.002","25.029","0.003","76.364","0.003","71.122","0.002","70.708","0.003","9723","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H250 N36 O71 Pd6 -","- C144 H180 N33 O59 Pd6 -","- C288 H360 N66 O118 Pd12 -","2","1","","Samanta, Dipak; Mukherjee, Partha Sarathi","Sunlight-Induced Covalent Marriage of Two Triply Interlocked Pd6 Cages and Their Facile Thermal Separation.","Journal of the American Chemical Society","2014","","","141201090511001","","10.1021/ja511360e","","","0.71073","MoKα","","0.1431","0.0996","","","0.2632","0.2848","","","","","","1.013","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123056","6.7868","0.0001","10.8904","0.0002","15.7778","0.0002","70.88","0.001","81.554","0.001","83.156","0.001","1086.72","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H24 N2 O9 -","- C23 H24 N2 O9 -","- C46 H48 N4 O18 -","2","1","","Blackburn, Anthea K.; Sue, Andrew C.-H.; Shveyd, Alexander K.; Cao, Dennis; Tayi, Alok; Narayanan, Ashwin; Rolczynski, Brian S.; Szarko, Jodi M.; Bozdemir, Ozgur A.; Wakabayashi, Rie; Lehrman, Jessica A.; Kahr, Bart; Chen, Lin X.; Nassar, Majed S.; Stupp, Samuel I.; Stoddart, J. Fraser","Lock-Arm Supramolecular Ordering: A Molecular Construction Set for Cocrystallizing Organic Charge Transfer Complexes.","Journal of the American Chemical Society","2014","","","141124065827003","","10.1021/ja509442t","","","0.71073","MoKα","","0.0925","0.0542","","","0.1219","0.1414","","","","","","1.045","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123057","6.8961","0.0002","8.0293","0.0003","12.3435","0.0004","89.213","0.001","83.73","0.002","73.487","0.002","651.25","0.04","100","2","99.98","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N6 O4 -","- C30 H30 N6 O4 -","- C30 H30 N6 O4 -","1","0.5","","Blackburn, Anthea K.; Sue, Andrew C.-H.; Shveyd, Alexander K.; Cao, Dennis; Tayi, Alok; Narayanan, Ashwin; Rolczynski, Brian S.; Szarko, Jodi M.; Bozdemir, Ozgur A.; Wakabayashi, Rie; Lehrman, Jessica A.; Kahr, Bart; Chen, Lin X.; Nassar, Majed S.; Stupp, Samuel I.; Stoddart, J. Fraser","Lock-Arm Supramolecular Ordering: A Molecular Construction Set for Cocrystallizing Organic Charge Transfer Complexes.","Journal of the American Chemical Society","2014","","","141124065827003","","10.1021/ja509442t","","","1.54178","CuKα","","0.0321","0.0314","","","0.0832","0.0838","","","","","","1.056","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123058","6.7603","0.0007","10.8522","0.0011","15.785","0.002","71.882","0.009","81.81","0.009","84.105","0.008","1087.3","0.2","84","2","84.64","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H49 N5 O17 -","- C46 H49 N5 O17 -","- C46 H49 N5 O17 -","1","0.5","","Blackburn, Anthea K.; Sue, Andrew C.-H.; Shveyd, Alexander K.; Cao, Dennis; Tayi, Alok; Narayanan, Ashwin; Rolczynski, Brian S.; Szarko, Jodi M.; Bozdemir, Ozgur A.; Wakabayashi, Rie; Lehrman, Jessica A.; Kahr, Bart; Chen, Lin X.; Nassar, Majed S.; Stupp, Samuel I.; Stoddart, J. Fraser","Lock-Arm Supramolecular Ordering: A Molecular Construction Set for Cocrystallizing Organic Charge Transfer Complexes.","Journal of the American Chemical Society","2014","","","141124065827003","","10.1021/ja509442t","","","1.54178","CuKα","","0.0771","0.0568","","","0.1528","0.1692","","","","","","1.018","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123059","6.6667","0.0003","23.3906","0.001","8.3455","0.0003","90","","104.657","0.003","90","","1259.03","0.09","84","2","84.33","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O10 -","- C28 H28 N2 O10 -","- C56 H56 N4 O20 -","2","0.5","","Blackburn, Anthea K.; Sue, Andrew C.-H.; Shveyd, Alexander K.; Cao, Dennis; Tayi, Alok; Narayanan, Ashwin; Rolczynski, Brian S.; Szarko, Jodi M.; Bozdemir, Ozgur A.; Wakabayashi, Rie; Lehrman, Jessica A.; Kahr, Bart; Chen, Lin X.; Nassar, Majed S.; Stupp, Samuel I.; Stoddart, J. Fraser","Lock-Arm Supramolecular Ordering: A Molecular Construction Set for Cocrystallizing Organic Charge Transfer Complexes.","Journal of the American Chemical Society","2014","","","141124065827003","","10.1021/ja509442t","","","0.71073","MoKα","","0.1129","0.0653","","","0.1522","0.1763","","","","","","1.024","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123060","9.5063","0.0004","12.1715","0.0006","12.8872","0.0006","61.896","0.003","89.095","0.003","76.689","0.003","1272.5","0.11","84","2","84.44","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 N4 O8 -","- C28 H30 N4 O8 -","- C56 H60 N8 O16 -","2","1","","Blackburn, Anthea K.; Sue, Andrew C.-H.; Shveyd, Alexander K.; Cao, Dennis; Tayi, Alok; Narayanan, Ashwin; Rolczynski, Brian S.; Szarko, Jodi M.; Bozdemir, Ozgur A.; Wakabayashi, Rie; Lehrman, Jessica A.; Kahr, Bart; Chen, Lin X.; Nassar, Majed S.; Stupp, Samuel I.; Stoddart, J. Fraser","Lock-Arm Supramolecular Ordering: A Molecular Construction Set for Cocrystallizing Organic Charge Transfer Complexes.","Journal of the American Chemical Society","2014","","","141124065827003","","10.1021/ja509442t","","","0.71073","MoKα","","0.0792","0.0533","","","0.1318","0.1468","","","","","","1.03","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4123061","6.9937","0.0002","11.8675","0.0002","17.5154","0.0003","90","","100.896","0.001","90","","1427.53","0.05","100","2","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 N4 O8 -","- C34 H32 N4 O8 -","- C68 H64 N8 O16 -","2","0.5","","Blackburn, Anthea K.; Sue, Andrew C.-H.; Shveyd, Alexander K.; Cao, Dennis; Tayi, Alok; Narayanan, Ashwin; Rolczynski, Brian S.; Szarko, Jodi M.; Bozdemir, Ozgur A.; Wakabayashi, Rie; Lehrman, Jessica A.; Kahr, Bart; Chen, Lin X.; Nassar, Majed S.; Stupp, Samuel I.; Stoddart, J. Fraser","Lock-Arm Supramolecular Ordering: A Molecular Construction Set for Cocrystallizing Organic Charge Transfer Complexes.","Journal of the American Chemical Society","2014","","","141124065827003","","10.1021/ja509442t","","","1.54178","CuKα","","0.0573","0.0541","","","0.1463","0.1497","","","","","","1.043","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123062","6.951","0.0002","8.6966","0.0002","12.1281","0.0003","72.093","0.002","76.054","0.002","80.941","0.002","674.3","0.03","100","2","100.02","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 N4 O8 -","- C32 H32 N4 O8 -","- C32 H32 N4 O8 -","1","0.5","","Blackburn, Anthea K.; Sue, Andrew C.-H.; Shveyd, Alexander K.; Cao, Dennis; Tayi, Alok; Narayanan, Ashwin; Rolczynski, Brian S.; Szarko, Jodi M.; Bozdemir, Ozgur A.; Wakabayashi, Rie; Lehrman, Jessica A.; Kahr, Bart; Chen, Lin X.; Nassar, Majed S.; Stupp, Samuel I.; Stoddart, J. Fraser","Lock-Arm Supramolecular Ordering: A Molecular Construction Set for Cocrystallizing Organic Charge Transfer Complexes.","Journal of the American Chemical Society","2014","","","141124065827003","","10.1021/ja509442t","","","0.71073","MoKα","","0.1357","0.0773","","","0.2129","0.254","","","","","","1.079","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123063","11.9236","0.0004","6.9553","0.0003","16.7123","0.0005","90","","104.157","0.002","90","","1343.89","0.08","85","2","84.91","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N2 O10 S4 -","- C26 H28 N2 O10 S4 -","- C52 H56 N4 O20 S8 -","2","0.5","","Blackburn, Anthea K.; Sue, Andrew C.-H.; Shveyd, Alexander K.; Cao, Dennis; Tayi, Alok; Narayanan, Ashwin; Rolczynski, Brian S.; Szarko, Jodi M.; Bozdemir, Ozgur A.; Wakabayashi, Rie; Lehrman, Jessica A.; Kahr, Bart; Chen, Lin X.; Nassar, Majed S.; Stupp, Samuel I.; Stoddart, J. Fraser","Lock-Arm Supramolecular Ordering: A Molecular Construction Set for Cocrystallizing Organic Charge Transfer Complexes.","Journal of the American Chemical Society","2014","","","141124065827003","","10.1021/ja509442t","","","1.54178","CuKα","","0.0483","0.0439","","","0.1187","0.1224","","","","","","1.071","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123064","10.9811","0.0008","12.4287","0.0008","12.9441","0.0009","94.62","0.005","112.518","0.005","109.84","0.005","1489.3","0.2","85","2","85.28","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H33 N3 O8 -","- C38 H33 N3 O8 -","- C76 H66 N6 O16 -","2","1","","Blackburn, Anthea K.; Sue, Andrew C.-H.; Shveyd, Alexander K.; Cao, Dennis; Tayi, Alok; Narayanan, Ashwin; Rolczynski, Brian S.; Szarko, Jodi M.; Bozdemir, Ozgur A.; Wakabayashi, Rie; Lehrman, Jessica A.; Kahr, Bart; Chen, Lin X.; Nassar, Majed S.; Stupp, Samuel I.; Stoddart, J. Fraser","Lock-Arm Supramolecular Ordering: A Molecular Construction Set for Cocrystallizing Organic Charge Transfer Complexes.","Journal of the American Chemical Society","2014","","","141124065827003","","10.1021/ja509442t","","","1.54178","CuKα","","0.0838","0.0587","","","0.1605","0.1798","","","","","","1.063","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123065","32.625","0.003","6.6459","0.0007","15.0606","0.0015","90","","95.288","0.006","90","","3251.6","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 N2 O12 S2 -","- C32 H40 N2 O12 S2 -","- C128 H160 N8 O48 S8 -","4","0.5","","Blackburn, Anthea K.; Sue, Andrew C.-H.; Shveyd, Alexander K.; Cao, Dennis; Tayi, Alok; Narayanan, Ashwin; Rolczynski, Brian S.; Szarko, Jodi M.; Bozdemir, Ozgur A.; Wakabayashi, Rie; Lehrman, Jessica A.; Kahr, Bart; Chen, Lin X.; Nassar, Majed S.; Stupp, Samuel I.; Stoddart, J. Fraser","Lock-Arm Supramolecular Ordering: A Molecular Construction Set for Cocrystallizing Organic Charge Transfer Complexes.","Journal of the American Chemical Society","2014","","","141124065827003","","10.1021/ja509442t","","","0.71073","MoKα","","0.055","0.0397","","","0.1001","0.1145","","","","","","1.098","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123066","15.8091","0.0011","13.0726","0.0009","21.0353","0.0015","90","","105.228","0.0011","90","","4194.6","0.5","110","2","110","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48 H68 Th -","- C48 H68 Th -","- C192 H272 Th4 -","4","0.5","","Fang, Bo; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Maron, Laurent; Walter, Marc D.","An Actinide Metallacyclopropene Complex: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2014","","","141202122629003","","10.1021/ja509770t","","","0.71073","MoKα","","0.022","0.019","","","0.042","0.0428","","","","","","1.027","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123067","10.6273","0.0008","12.6345","0.001","21.4306","0.0016","92.172","0.001","103.965","0.001","104.885","0.001","2683.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H85 Cl O Th -","- C61 H85 Cl O Th -","- C122 H170 Cl2 O2 Th2 -","2","1","","Fang, Bo; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Maron, Laurent; Walter, Marc D.","An Actinide Metallacyclopropene Complex: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2014","","","141202122629003","","10.1021/ja509770t","","","0.71073","MoKα","","0.0331","0.0278","","","0.0651","0.0672","","","","","","1.054","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123068","30.937","0.004","10.7644","0.0015","37.102","0.004","90","","125.205","0.008","90","","10096","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H71 S2 Th -","- C52 H71 S2 Th -","- C416 H568 S16 Th8 -","8","2","","Fang, Bo; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Maron, Laurent; Walter, Marc D.","An Actinide Metallacyclopropene Complex: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2014","","","141202122629003","","10.1021/ja509770t","","","0.71073","MoKα","","0.0709","0.0435","","","0.0834","0.0902","","","","","","0.944","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123069","11.7337","0.0006","23.9476","0.0012","18.4523","0.001","90","","90.796","0.001","90","","5184.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H73 N S Th -","- C55 H73 N S Th -","- C220 H292 N4 S4 Th4 -","4","1","","Fang, Bo; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Maron, Laurent; Walter, Marc D.","An Actinide Metallacyclopropene Complex: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2014","","","141202122629003","","10.1021/ja509770t","","","0.71073","MoKα","","0.0412","0.0289","","","0.062","0.0665","","","","","","0.995","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123070","13.0567","0.0014","17.4865","0.0018","27.078","0.003","80.947","0.002","81.742","0.002","88.587","0.002","6042","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H90 N2 Th -","- C61 H90 N2 Th -","- C244 H360 N8 Th4 -","4","2","","Fang, Bo; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Maron, Laurent; Walter, Marc D.","An Actinide Metallacyclopropene Complex: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2014","","","141202122629003","","10.1021/ja509770t","","","0.71073","MoKα","","0.1013","0.0565","","","0.1192","0.1399","","","","","","0.968","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123071","23.875","0.002","18.2742","0.0018","19.869","0.002","90","","123.613","0.002","90","","7219.3","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H126 O2 Th -","- C84 H126 O2 Th -","- C336 H504 O8 Th4 -","4","0.5","","Fang, Bo; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Maron, Laurent; Walter, Marc D.","An Actinide Metallacyclopropene Complex: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2014","","","141202122629003","","10.1021/ja509770t","","","0.71073","MoKα","","0.0363","0.0299","","","0.0717","0.0745","","","","","","1.032","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123072","11.3317","0.0009","12.9233","0.0011","18.2014","0.0016","76.814","0.001","75.328","0.002","67.654","0.001","2358.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H77 N Si Th -","- C51 H77 N Si Th -","- C102 H154 N2 Si2 Th2 -","2","1","","Fang, Bo; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Maron, Laurent; Walter, Marc D.","An Actinide Metallacyclopropene Complex: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2014","","","141202122629003","","10.1021/ja509770t","","","0.71073","MoKα","","0.0346","0.028","","","0.0593","0.0617","","","","","","1.011","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123073","10.42","0.002","18.183","0.004","13.287","0.003","90","","93.105","0.004","90","","2513.8","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C61 H76 N2 Th -","- C61 H76 N2 Th -","- C122 H152 N4 Th2 -","2","1","","Fang, Bo; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Maron, Laurent; Walter, Marc D.","An Actinide Metallacyclopropene Complex: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2014","","","141202122629003","","10.1021/ja509770t","","","0.71073","MoKα","","0.0793","0.0623","","","0.1089","0.1175","","","","","","1.063","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123074","10.159","0.003","11.241","0.003","11.273","0.003","96.42","0.007","102.856","0.007","114.267","0.007","1113.9","0.5","147","2","147","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 B Cl N3 O5 -","- C23 H21 B Cl N3 O5 -","- C46 H42 B2 Cl2 N6 O10 -","2","1","","St Denis, Jeffrey D.; Zajdlik, Adam; Tan, Joanne; Trinchera, Piera; Lee, C. Frank; He, Zhi; Adachi, Shinya; Yudin, Andrei K.","Boron-Containing Enamine and Enamide Linchpins in the Synthesis of Nitrogen Heterocycles.","Journal of the American Chemical Society","2014","","","141205135107007","","10.1021/ja510963k","","","0.71073","MoKα","","0.0366","0.0335","","","0.0862","0.0891","","","","","","1.034","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123075","7.1823","0.0007","16.881","0.002","22.071","0.002","90","","96.064","0.006","90","","2661","0.5","147","2","147","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 B Br Cl N2 O5 -","- C28 H25 B Br Cl N2 O5 -","- C112 H100 B4 Br4 Cl4 N8 O20 -","4","1","","St Denis, Jeffrey D.; Zajdlik, Adam; Tan, Joanne; Trinchera, Piera; Lee, C. Frank; He, Zhi; Adachi, Shinya; Yudin, Andrei K.","Boron-Containing Enamine and Enamide Linchpins in the Synthesis of Nitrogen Heterocycles.","Journal of the American Chemical Society","2014","","","141205135107007","","10.1021/ja510963k","","","0.71073","MoKα","","0.1058","0.0561","","","0.1185","0.1364","","","","","","1.008","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123076","14.0723","0.0006","14.5531","0.0006","7.3488","0.0003","90","","99.001","0.002","90","","1486.47","0.11","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F3 N O -","- C18 H14 F3 N O -","- C72 H56 F12 N4 O4 -","4","1","","St Denis, Jeffrey D.; Zajdlik, Adam; Tan, Joanne; Trinchera, Piera; Lee, C. Frank; He, Zhi; Adachi, Shinya; Yudin, Andrei K.","Boron-Containing Enamine and Enamide Linchpins in the Synthesis of Nitrogen Heterocycles.","Journal of the American Chemical Society","2014","","","141205135107007","","10.1021/ja510963k","","","1.54178","CuKα","","0.05","0.0483","","","0.12","0.1211","","","","","","1.1","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123077","5.65","0.0006","11.4069","0.0012","19.702","0.002","90","","93.531","0.002","90","","1267.4","0.2","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N3 P -","- C14 H14 N3 P -","- C56 H56 N12 P4 -","4","1","","Zhao, Wei; McCarthy, Sean M.; Lai, Ting Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","Reversible Intermolecular E-H Oxidative Addition to a Geometrically Deformed and Structurally Dynamic Phosphorous Triamide.","Journal of the American Chemical Society","2014","","","141203102325001","","10.1021/ja510558d","","","0.71073","MoKα","","0.045","0.0412","","","0.1128","0.1155","","","","","","1.226","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123078","7.002","0.003","12.529","0.004","32.212","0.011","90","","90","","90","","2825.9","1.8","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Cl2 N3 P -","- C14 H14 Cl2 N3 P -","- C112 H112 Cl16 N24 P8 -","8","1","","Zhao, Wei; McCarthy, Sean M.; Lai, Ting Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","Reversible Intermolecular E-H Oxidative Addition to a Geometrically Deformed and Structurally Dynamic Phosphorous Triamide.","Journal of the American Chemical Society","2014","","","141203102325001","","10.1021/ja510558d","","","0.71073","MoKα","","0.0465","0.042","","","0.103","0.1056","","","","","","1.112","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123079","9.481","0.004","10.44","0.004","23.696","0.009","90","","94.909","0.006","90","","2336.9","1.6","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 N4 P -","- C26 H33 N4 P -","- C104 H132 N16 P4 -","4","1","","Zhao, Wei; McCarthy, Sean M.; Lai, Ting Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","Reversible Intermolecular E-H Oxidative Addition to a Geometrically Deformed and Structurally Dynamic Phosphorous Triamide.","Journal of the American Chemical Society","2014","","","141203102325001","","10.1021/ja510558d","","","0.71073","MoKα","","0.0896","0.0727","","","0.1841","0.1979","","","","","","1.03","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123080","10.226","0.005","13.074","0.006","17.348","0.008","70.969","0.008","80.335","0.008","71.356","0.008","2072.3","1.7","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H27 N4 P -","- C23 H27 N4 P -","- C92 H108 N16 P4 -","4","2","","Zhao, Wei; McCarthy, Sean M.; Lai, Ting Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","Reversible Intermolecular E-H Oxidative Addition to a Geometrically Deformed and Structurally Dynamic Phosphorous Triamide.","Journal of the American Chemical Society","2014","","","141203102325001","","10.1021/ja510558d","","","0.71073","MoKα","","0.1012","0.0689","","","0.1513","0.1692","","","","","","1.026","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123081","26.49","0.009","26.49","0.009","13.871","0.004","90","","90","","120","","8430","5","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20.17 H21 Cl0.5 N4 P -","- C20.1667 H21 Cl0.5 N4 P -","- C363 H378 Cl9 N72 P18 -","18","1","","Zhao, Wei; McCarthy, Sean M.; Lai, Ting Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","Reversible Intermolecular E-H Oxidative Addition to a Geometrically Deformed and Structurally Dynamic Phosphorous Triamide.","Journal of the American Chemical Society","2014","","","141203102325001","","10.1021/ja510558d","","","0.71073","MoKα","","0.1401","0.0875","","","0.2042","0.2347","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123082","5.24","0.002","10.285","0.005","16.928","0.007","91.277","0.007","92.317","0.007","96.133","0.008","906","0.7","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N3 O2 P -","- C21 H20 N3 O2 P -","- C42 H40 N6 O4 P2 -","2","1","","Zhao, Wei; McCarthy, Sean M.; Lai, Ting Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","Reversible Intermolecular E-H Oxidative Addition to a Geometrically Deformed and Structurally Dynamic Phosphorous Triamide.","Journal of the American Chemical Society","2014","","","141203102325001","","10.1021/ja510558d","","","0.71073","MoKα","","0.0484","0.0435","","","0.1167","0.1216","","","","","","0.951","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123083","15.119","0.006","5.367","0.002","21.576","0.011","90","","99.935","0.01","90","","1724.5","1.3","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N3 O P -","- C20 H20 N3 O P -","- C80 H80 N12 O4 P4 -","4","1","","Zhao, Wei; McCarthy, Sean M.; Lai, Ting Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","Reversible Intermolecular E-H Oxidative Addition to a Geometrically Deformed and Structurally Dynamic Phosphorous Triamide.","Journal of the American Chemical Society","2014","","","141203102325001","","10.1021/ja510558d","","","0.71073","MoKα","","0.1209","0.0719","","","0.1412","0.1602","","","","","","1.023","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123084","6.02","0.0012","18.018","0.004","15.917","0.003","90","","96.614","0.003","90","","1715","0.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N3 O P -","- C18 H24 N3 O P -","- C72 H96 N12 O4 P4 -","4","1","","Zhao, Wei; McCarthy, Sean M.; Lai, Ting Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","Reversible Intermolecular E-H Oxidative Addition to a Geometrically Deformed and Structurally Dynamic Phosphorous Triamide.","Journal of the American Chemical Society","2014","","","141203102325001","","10.1021/ja510558d","","","0.71073","MoKα","","0.044","0.0393","","","0.1176","0.1262","","","","","","0.703","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123085","13.646","0.006","5.483","0.002","19.372","0.009","90","","104.307","0.007","90","","1404.5","1","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N3 P Se -","- C14 H14 N3 P Se -","- C56 H56 N12 P4 Se4 -","4","1","","Zhao, Wei; McCarthy, Sean M.; Lai, Ting Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","Reversible Intermolecular E-H Oxidative Addition to a Geometrically Deformed and Structurally Dynamic Phosphorous Triamide.","Journal of the American Chemical Society","2014","","","141203102325001","","10.1021/ja510558d","","","0.71073","MoKα","","0.0817","0.0496","","","0.1011","0.1112","","","","","","0.978","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123086","10.8518","0.001","14.8683","0.0014","21.679","0.002","90","","90","","90","","3497.9","0.6","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H47 Cl Co N2 P -","- C41 H47 Cl Co N2 P -","- C164 H188 Cl4 Co4 N8 P4 -","4","1","","Mo, Zhenbo; Xiao, Jie; Gao, Yafei; Deng, Liang","Regio- and Stereoselective Hydrosilylation of Alkynes Catalyzed by Three-Coordinate Cobalt(I) Alkyl and Silyl Complexes.","Journal of the American Chemical Society","2014","","","141209075314002","","10.1021/ja510924v","","","0.71073","MoKα","","0.0346","0.028","","","0.0647","0.067","","","","","","1.01","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123087","40.118","0.005","10.1313","0.0013","19.364","0.003","90","","93.027","0.002","90","","7859.5","1.9","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H58 Co N2 P Si -","- C45 H58 Co N2 P Si -","- C360 H464 Co8 N16 P8 Si8 -","8","1","","Mo, Zhenbo; Xiao, Jie; Gao, Yafei; Deng, Liang","Regio- and Stereoselective Hydrosilylation of Alkynes Catalyzed by Three-Coordinate Cobalt(I) Alkyl and Silyl Complexes.","Journal of the American Chemical Society","2014","","","141209075314002","","10.1021/ja510924v","","","0.71073","MoKα","","0.071","0.0423","","","0.1022","0.1157","","","","","","1.016","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123088","10.378","0.002","13.095","0.003","18.259","0.004","81.92","0.004","78.351","0.004","73.214","0.004","2317.8","0.9","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H65 Co N2 P Si -","- C56 H65 Co N2 P Si -","- C112 H130 Co2 N4 P2 Si2 -","2","1","","Mo, Zhenbo; Xiao, Jie; Gao, Yafei; Deng, Liang","Regio- and Stereoselective Hydrosilylation of Alkynes Catalyzed by Three-Coordinate Cobalt(I) Alkyl and Silyl Complexes.","Journal of the American Chemical Society","2014","","","141209075314002","","10.1021/ja510924v","","","0.71073","MoKα","","0.1466","0.0686","","","0.1624","0.2326","","","","","","1.064","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123089","10.4302","0.0008","21.6815","0.0017","15.8328","0.0013","90","","102.28","0.002","90","","3498.5","0.5","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H53 Co N2 Si -","- C41 H53 Co N2 Si -","- C164 H212 Co4 N8 Si4 -","4","1","","Mo, Zhenbo; Xiao, Jie; Gao, Yafei; Deng, Liang","Regio- and Stereoselective Hydrosilylation of Alkynes Catalyzed by Three-Coordinate Cobalt(I) Alkyl and Silyl Complexes.","Journal of the American Chemical Society","2014","","","141209075314002","","10.1021/ja510924v","","","0.71073","MoKα","","0.0976","0.0473","","","0.0878","0.1023","","","","","","1.026","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123090","6.799","0.002","17.085","0.005","17.516","0.005","68.123","0.011","83.058","0.014","77.859","0.014","1843.9","0.9","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 O2 Si -","- C19 H27 O2 Si -","- C76 H108 O8 Si4 -","4","2","","Tani, Yosuke; Fujihara, Tetsuaki; Terao, Jun; Tsuji, Yasushi","Copper-Catalyzed Regiodivergent Silacarboxylation of Allenes with Carbon Dioxide and a Silylborane.","Journal of the American Chemical Society","2014","","","141212124847001","","10.1021/ja512040c","","","0.7107","MoKα","","","0.0795","","","","0.2242","","","","","","1.052","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123091","6.8511","0.0005","11.9553","0.0009","16.4478","0.0012","90","","90","","90","","1347.19","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Yao, Weijun; Dou, Xiaowei; Lu, Yixin","Highly Enantioselective Synthesis of 3,4-Dihydropyrans through a Phosphine-Catalyzed [4+2] Annulation of Allenones and β,γ-Unsaturated α-Keto Esters.","Journal of the American Chemical Society","2015","137","1","54","57","10.1021/ja5109358","","","1.54178","CuKα","","0.0365","0.0364","","","0.0894","0.0895","","","","","","1.126","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123092","5.5979","0.0006","11.4138","0.0013","23.919","0.003","90","","90","","90","","1528.3","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Yao, Weijun; Dou, Xiaowei; Lu, Yixin","Highly Enantioselective Synthesis of 3,4-Dihydropyrans through a Phosphine-Catalyzed [4+2] Annulation of Allenones and β,γ-Unsaturated α-Keto Esters.","Journal of the American Chemical Society","2015","137","1","54","57","10.1021/ja5109358","","","1.54178","CuKα","","0.0284","0.028","","","0.0854","0.0876","","","","","","2.024","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123093","12.729","0.006","14.432","0.007","17.929","0.008","89.22","0.005","72.659","0.006","76.126","0.006","3046","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H96 Fe2 N4 O2 Sc2 Si4 -","- C52 H96 Fe2 N4 O2 Sc2 Si4 -","- C104 H192 Fe4 N8 O4 Sc4 Si8 -","2","1","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.1165","0.0943","","","0.242","0.258","","","","","","0.982","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123094","24.002","0.003","15.7124","0.0016","20.586","0.002","90","","90","","90","","7763.6","1.5","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C71 H117 Fe2 N4 O2 Sc2 Si4 -","- C71 H117 Fe2 N4 O2 Sc2 Si4 -","- C284 H468 Fe8 N16 O8 Sc8 Si16 -","4","0.5","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.076","0.0632","","","0.1593","0.1656","","","","","","1.137","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123095","14.381","0.002","14.514","0.002","17.253","0.003","90","","90","","90","","3601.1","0.9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H53 Fe N2 O Sc Si2 -","- C33 H53 Fe N2 O Sc Si2 -","- C132 H212 Fe4 N8 O4 Sc4 Si8 -","4","1","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.0675","0.0584","","","0.1634","0.1744","","","","","","1.035","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123096","11.534","0.003","13.143","0.003","20.525","0.005","71.835","0.002","87.753","0.002","79.358","0.002","2904.9","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C101 H180 F4 Fe4 N8 O2 Sc4 Si8 -","- C101 H180 F4 Fe4 N8 O2 Sc4 Si8 -","- C101 H180 F4 Fe4 N8 O2 Sc4 Si8 -","1","0.5","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.0605","0.0458","","","0.1071","0.1126","","","","","","1.043","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123097","11.618","0.006","15.479","0.006","16.953","0.007","77.348","0.005","87.648","0.005","88.981","0.003","2972","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H46 Fe N2 O Si2 Y -","- C26 H46 Fe N2 O Si2 Y -","- C104 H184 Fe4 N8 O4 Si8 Y4 -","4","2","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.1156","0.0957","","","0.2607","0.2659","","","","","","1.77","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123098","9.7595","0.001","29.761","0.003","12.8474","0.0013","90","","94.539","0.001","90","","3719.9","0.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35.08 H58.22 Fe I0.15 N2 O2 Si2 Y -","- C35.0838 H58.2365 Fe I0.1527 N2 O2 Si2 Y -","- C140.335 H232.946 Fe4 I0.6108 N8 O8 Si8 Y4 -","4","1","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.038","0.0346","","","0.0721","0.0731","","","","","","1.162","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123099","10.815","0.001","12.4852","0.0011","23.535","0.002","95.936","0.001","100.12","0.001","104.381","0.001","2994.1","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H94 Fe2 Lu2 N4 O2 Si4 -","- C52 H94 Fe2 Lu2 N4 O2 Si4 -","- C104 H188 Fe4 Lu4 N8 O4 Si8 -","2","1","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.0286","0.0232","","","0.0555","0.0574","","","","","","1.025","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123100","9.7679","0.0012","29.678","0.004","12.8261","0.0016","90","","94.391","0.001","90","","3707.3","0.8","105","2","105","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35.7 H58.75 Fe I0.05 Lu N2 O2 Si2 -","- C35.7012 H58.751 Fe I0.0498 Lu N2 O2 Si2 -","- C142.805 H235.004 Fe4 I0.1992 Lu4 N8 O8 Si8 -","4","1","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.0222","0.0193","","","0.0404","0.0413","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123101","15.367","0.005","13.525","0.004","19.513","0.006","90","","104.036","0.003","90","","3934","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H61 Fe Lu N2 O2 Si2 -","- C40 H61 Fe Lu N2 O2 Si2 -","- C160 H244 Fe4 Lu4 N8 O8 Si8 -","4","1","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.0461","0.038","","","0.0916","0.0961","","","","","","1.046","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123102","11.682","0.004","11.922","0.004","17.793","0.005","80.603","0.003","86.689","0.003","62.727","0.003","2172.6","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H60 Fe Li Lu N2 O Si2 -","- C46 H60 Fe Li Lu N2 O Si2 -","- C92 H120 Fe2 Li2 Lu2 N4 O2 Si4 -","2","1","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.031","0.0258","","","0.0554","0.0575","","","","","","1.049","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123103","10.85","0.001","12.5353","0.0012","23.562","0.002","95.965","0.001","100.115","0.001","104.448","0.001","3018.1","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H94 Er2 Fe2 N4 O2 Si4 -","- C52 H94 Er2 Fe2 N4 O2 Si4 -","- C104 H188 Er4 Fe4 N8 O4 Si8 -","2","1","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.026","0.0209","","","0.0457","0.0471","","","","","","1.034","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123104","10.3102","0.0012","22.263","0.003","16.831","0.002","90","","90.324","0.0015","90","","3863.3","0.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 F5 Fe N2 O Sc Si2 -","- C35 H53 F5 Fe N2 O Sc Si2 -","- C140 H212 F20 Fe4 N8 O4 Sc4 Si8 -","4","1","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.0431","0.0324","","","0.0776","0.0833","","","","","","0.981","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123105","6.6033","0.0014","26.229","0.006","9.322","0.002","90","","95.63","0.003","90","","1606.8","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Lu, Ping; Mailyan, Artur; Gu, Zhenhua; Guptill, David; Wang, Hengbin; Davies, Huw M. L.; Zakarian, Armen","Enantioselective Synthesis of (-)-Maoecrystal V by Enantiodetermining C-H Functionalization.","Journal of the American Chemical Society","2014","","","141211134508005","","10.1021/ja510573v","","","0.71073","MoKα","","0.0642","0.047","","","0.0658","0.0672","","","","","","2.033","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123106","5.7636","0.0002","16.0522","0.0004","28.0601","0.0007","90","","90","","90","","2596.08","0.13","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 Br N O4 -","- C27 H32 Br N O4 -","- C108 H128 Br4 N4 O16 -","4","1","","Badiola, Eider; Fiser, Béla; Gómez-Bengoa, Enrique; Mielgo, Antonia; Olaizola, Iurre; Urruzuno, Iñaki; García, Jesús M; Odriozola, José M; Razkin, Jesús; Oiarbide, Mikel; Palomo, Claudio","Enantioselective Construction of Tetrasubstituted Stereogenic Carbons through Brønsted Base Catalyzed Michael Reactions: α'-Hydroxy Enones as Key Enoate Equivalent.","Journal of the American Chemical Society","2014","","","141209140339003","","10.1021/ja510603w","","x-ray","0.71073","MoKα","","0.053","0.0445","","","0.0934","0.0967","","","","","","1.103","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123107","10.6309","0.0002","14.6523","0.0003","18.3905","0.0004","90","","104.407","0.0011","90","","2774.55","0.1","200","","200","","","","","","","","Research School of Chemistry","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 B N6 O2 P W -","- C24 H34 B N6 O2 P W -","- C96 H136 B4 N24 O8 P4 W4 -","4","1","","Colebatch, Annie L.; Hill, Anthony F.","Secondary Phosphinocarbyne and Phosphaisonitrile Complexes.","Journal of the American Chemical Society","2014","","","141208061520004","","10.1021/ja511308k","","","0.71073","MoKα","","0.0909","0.0575","","0.1606","0.1298","0.1606","","","","","","0.9724","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123108","14.6929","0.0003","23.4328","0.0005","15.9038","0.0003","90","","95.396","0.0018","90","","5451.35","0.19","150","","150","","","","","","","","Research School of Chemistry","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H63 B K N8 O8 P W -","- C42 H63 B K N8 O8 P W -","- C168 H252 B4 K4 N32 O32 P4 W4 -","4","1","","Colebatch, Annie L.; Hill, Anthony F.","Secondary Phosphinocarbyne and Phosphaisonitrile Complexes.","Journal of the American Chemical Society","2014","","","141208061520004","","10.1021/ja511308k","","","1.54184","CuKα","","0.0664","0.0614","","0.1122","0.1095","0.112","","","","","","0.9562","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123109","9.023","0.0008","10.7212","0.001","13.903","0.0013","103.245","0.002","94.106","0.002","110.337","0.002","1210.59","0.19","223.2","0.2","223.2","0.2","","","","","","","","5","P -1","-P 1","2","","2-methyl-9-phenyl-4-oxa-1-azaspiro[5.5]undecane chloride","","- C18 H26 Cl7 N O -","- C18 H26 Cl7 N O -","- C36 H52 Cl14 N2 O2 -","2","1","","Siau, Woon-Yew; Bode, Jeffrey W.","One-Step Synthesis of Saturated Spirocyclic N-Heterocycles with Stannyl Amine Protocol (SnAP) Reagents and Ketones.","Journal of the American Chemical Society","2014","","","141209160958008","","10.1021/ja511232b","","x-ray","0.71073","MoKα","","0.0649","0.0487","","","0.1239","0.1347","","","","","","1.048","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123110","13.9447","0.0018","20.027","0.002","10.2082","0.0013","90","","123.76","0.004","90","","2370.1","0.5","100","0.2","100","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H23 N O -","- C14 H23 N O -","- C112 H184 N8 O8 -","8","1","","Siau, Woon-Yew; Bode, Jeffrey W.","One-Step Synthesis of Saturated Spirocyclic N-Heterocycles with Stannyl Amine Protocol (SnAP) Reagents and Ketones.","Journal of the American Chemical Society","2014","","","141209160958008","","10.1021/ja511232b","","x-ray","0.71073","MoKα","","0.0488","0.0382","","","0.1026","0.1109","","","","","","1.056","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123111","19.79","0.011","25.183","0.014","6.297","0.004","90","","106.786","0.016","90","","3005","3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H14 N4 Ni -","- C20 H14 N4 Ni -","- C160 H112 N32 Ni8 -","8","2","","Moragas, Toni; Cornella, Josep; Martin, Ruben","Ligand-controlled Regiodivergent Ni-Catalyzed Reductive Carboxylation of Allyl Esters with CO2.","Journal of the American Chemical Society","2014","","","141212124924001","","10.1021/ja509077a","","","0.71073","MoKα","","0.1146","0.0639","","","0.1327","0.159","","","","","","1.065","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123112","16.002","0.002","16.073","0.002","35.407","0.005","90","","102.854","0.002","90","","8878","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N4 Ni -","- C28 H24 N4 Ni -","- C448 H384 N64 Ni16 -","16","4","","Moragas, Toni; Cornella, Josep; Martin, Ruben","Ligand-controlled Regiodivergent Ni-Catalyzed Reductive Carboxylation of Allyl Esters with CO2.","Journal of the American Chemical Society","2014","","","141212124924001","","10.1021/ja509077a","","","0.71073","MoKα","","0.1724","0.1456","","","0.3428","0.3669","","","","","","1.044","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123113","21.43","0.03","21.43","0.03","16.89","0.02","90","","90","","120","","6717","15","110","2","110","2","","","","","","","","7","P 6/m","-P 6","175","","","","- C144 H72 Cl3 Fe3 N12 O24 Zr6 -","- C144 H72 Cl3 Fe3 N12 O24 Zr5.94 -","- C144 H72 Cl3 Fe3 N12 O24 Zr5.94 -","1","0.0833333","","Feng, Dawei; Gu, Zhi-Yuan; Chen, Ying-Pin; Park, Jihye; Wei, Zhangwen; Sun, Yujia; Bosch, Mathieu; Yuan, Shuai; Zhou, Hong-Cai","A Highly Stable Porphyrinic Zirconium Metal-Organic Frame-work with shp-a Topology.","Journal of the American Chemical Society","2014","","","141212123922008","","10.1021/ja510525s","","","0.71073","MoKα","","0.1922","0.1331","","","0.3131","0.3473","","","","","","1.013","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123114","14.751","0.001","24.8219","0.0016","19.4882","0.0014","90","","92.759","0.001","90","","7127.3","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Methylmarked Red House","","","- C80 H76 Mn4 N14 -","- C80 H76 Mn4 N14 -","- C320 H304 Mn16 N56 -","4","1","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.065","0.0429","","","0.1071","0.1204","","","","","","1.024","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4123115","11.1968","0.0016","11.5552","0.0016","17.838","0.003","89.739","0.003","86.275","0.003","77.148","0.002","2245.2","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H68 Mn2 N4 O2 Si4 -","- C34 H68 Mn2 N4 O2 Si4 -","- C68 H136 Mn4 N8 O4 Si8 -","2","1","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.0506","0.0426","","","0.1138","0.1189","","","","","","1.036","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123116","8.746","0.003","10.811","0.004","11.224","0.004","100.65","0.007","94.51","0.007","96.956","0.007","1029.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H58 Mn2 N6 Si4 -","- C34 H58 Mn2 N6 Si4 -","- C34 H58 Mn2 N6 Si4 -","1","0.5","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.0505","0.0435","","","0.1419","0.1445","","","","","","1.122","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123117","12.703","0.003","13.905","0.004","13.986","0.004","90","","97.69","0.005","90","","2448.2","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Phenol Mn Dimer w DPH","","","- C56 H52 Mn2 N8 O2 -","- C56 H52 Mn2 N8 O2 -","- C112 H104 Mn4 N16 O4 -","2","0.5","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.0605","0.0452","","","0.1283","0.1424","","","","","","1.063","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123118","12.625","0.0009","15.0713","0.001","13.5101","0.0009","90","","98.284","0.001","90","","2543.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","MnCresolTerminalHydrazide","","","- C29 H28 Mn N4 O -","- C29 H28 Mn N4 O -","- C116 H112 Mn4 N16 O4 -","4","1","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.0399","0.0312","","","0.0782","0.0822","","","","","","1.03","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123119","23.128","0.004","14.029","0.002","24.127","0.004","90","","108.484","0.003","90","","7424","2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C83 H76.35 Mn4 N14.35 O0.65 -","- C83 H76.34 Mn4 N14.34 O0.66 -","- C332 H305.36 Mn16 N57.36 O2.64 -","4","1","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.0536","0.0338","","","0.0737","0.0831","","","","","","1.009","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123120","16.7834","0.0016","15.7756","0.0015","17.4535","0.0016","90","","117.807","0.003","90","","4087.5","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Methyl-Marked Red House","","","- C90 H86 Mn4 N16 -","- C90 H86 Mn4 N16 -","- C180 H172 Mn8 N32 -","2","1","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.0467","0.0404","","","0.1132","0.1204","","","","","","1.059","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123121","16.516","0.005","15.842","0.004","16.591","0.005","90","","116.311","0.004","90","","3891.3","1.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Red House","","","- C88 H82 Mn4 N16 -","- C88 H82 Mn4 N16 -","- C176 H164 Mn8 N32 -","2","1","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.163","0.071","","","0.1259","0.1587","","","","","","0.973","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123122","19.981","0.002","16.5186","0.0016","22.047","0.002","90","","109.417","0.002","90","","6862.9","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","All-Tolyl House","","","- C76 H78 Mn4 N12 -","- C76 H78 Mn4 N12 -","- C304 H312 Mn16 N48 -","4","0.5","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.0686","0.0458","","","0.1179","0.1294","","","","","","1.033","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123123","8.8333","0.0017","17.029","0.003","14.282","0.003","90","","93.673","0.004","90","","2143.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H33 Mn N O2 Si2 -","- C17 H33 Mn N O2 Si2 -","- C68 H132 Mn4 N4 O8 Si8 -","4","1","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.0399","0.0296","","","0.0678","0.0716","","","","","","1.03","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123124","11.2553","0.0007","17.7873","0.001","13.1292","0.0008","90","","96.7912","0.001","90","","2610","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H72 Mn2 N8 Si4 -","- C46 H72 Mn2 N8 Si4 -","- C92 H144 Mn4 N16 Si8 -","2","0.5","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.0423","0.0321","","","0.0815","0.0869","","","","","","1.043","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123125","15.1502","0.0019","28.231","0.004","8.2921","0.001","90","","106.295","0.003","90","","3404.1","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","MnBisBpy","","","- C24.5 H50 Mn N4 Si4 -","- C22 H44 Mn N4 Si4 -","- C88 H176 Mn4 N16 Si16 -","4","0.5","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.0357","0.0285","","","0.0744","0.0768","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123126","26.474","0.007","10.909","0.003","20.872","0.009","90","","127.903","0.005","90","","4756","3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","MnBpyDPH Dimer","","","- C56 H50 Mn2 N10 -","- C56 H50 Mn2 N10 -","- C224 H200 Mn8 N40 -","4","0.5","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.094","0.0486","","","0.0996","0.115","","","","","","1.008","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123127","20.26","0.003","13.91","0.002","29.599","0.004","90","","102.459","0.004","90","","8145","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H40 Cl4 F6 Fe P2 Pd -","- C35 H40 Cl4 F6 Fe P2 Pd -","- C280 H320 Cl32 F48 Fe8 P16 Pd8 -","8","2","","Potter, Bowman; Szymaniak, Adam A.; Edelstein, Emma K.; Morken, James P.","Nonracemic Allylic Boronates through Enantiotopic-Group-Selective Cross-Coupling of Geminal Bis(boronates) and Vinyl Halides.","Journal of the American Chemical Society","2014","","","141215065957008","","10.1021/ja510266x","","","0.71073","MoKα","","0.0555","0.0432","","","0.0993","0.1071","","","","","","1.027","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123128","12.766","0.003","11.529","0.003","16.076","0.004","90","","102.701","0.007","90","","2308.2","1","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 B F2 N2 O -","- C28 H23 B F2 N2 O -","- C112 H92 B4 F8 N8 O4 -","4","1","","Yoshii, Ryousuke; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki","Functionalization of Boron Diiminates with Unique Optical Properties: Multicolor Tuning of Crystallization-Induced Emission and Introduction into the Main Chain of Conjugated Polymers.","Journal of the American Chemical Society","2014","","","141218122017004","","10.1021/ja510985v","","","0.71075","MoKα","","0.0823","0.0611","","","0.1542","0.1697","","","","","","1.048","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123129","17.226","0.007","23.087","0.01","6.148","0.003","90","","90","","90","","2445","1.9","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H26 B F2 N3 -","- C29 H26 B F2 N3 -","- C116 H104 B4 F8 N12 -","4","1","","Yoshii, Ryousuke; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki","Functionalization of Boron Diiminates with Unique Optical Properties: Multicolor Tuning of Crystallization-Induced Emission and Introduction into the Main Chain of Conjugated Polymers.","Journal of the American Chemical Society","2014","","","141218122017004","","10.1021/ja510985v","","","0.71075","MoKα","","0.167","0.0788","","","0.1351","0.1601","","","","","","1.025","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123130","12.223","0.004","11.721","0.004","15.042","0.004","90","","97.188","0.007","90","","2138.1","1.2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 B F2 N2 -","- C27 H21 B F2 N2 -","- C108 H84 B4 F8 N8 -","4","1","","Yoshii, Ryousuke; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki","Functionalization of Boron Diiminates with Unique Optical Properties: Multicolor Tuning of Crystallization-Induced Emission and Introduction into the Main Chain of Conjugated Polymers.","Journal of the American Chemical Society","2014","","","141218122017004","","10.1021/ja510985v","","","0.71075","MoKα","","0.1898","0.0975","","","0.2343","0.2876","","","","","","1.026","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123131","8.1887","0.0005","10.9033","0.0008","40.705","0.003","90","","90","","90","","3634.3","0.4","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H19 B F2 N2 -","- C22 H19 B F2 N2 -","- C176 H152 B8 F16 N16 -","8","1","","Yoshii, Ryousuke; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki","Functionalization of Boron Diiminates with Unique Optical Properties: Multicolor Tuning of Crystallization-Induced Emission and Introduction into the Main Chain of Conjugated Polymers.","Journal of the American Chemical Society","2014","","","141218122017004","","10.1021/ja510985v","","","0.71075","MoKα","","0.1168","0.0677","","","0.1209","0.1385","","","","","","1.057","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123132","7.4932","0.0019","14.893","0.004","20.397","0.006","90","","90","","90","","2276.2","1.1","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 B F2 N3 O2 -","- C27 H20 B F2 N3 O2 -","- C108 H80 B4 F8 N12 O8 -","4","1","","Yoshii, Ryousuke; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki","Functionalization of Boron Diiminates with Unique Optical Properties: Multicolor Tuning of Crystallization-Induced Emission and Introduction into the Main Chain of Conjugated Polymers.","Journal of the American Chemical Society","2014","","","141218122017004","","10.1021/ja510985v","","","0.71075","MoKα","","0.132","0.0656","","","0.1108","0.1308","","","","","","1.017","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123133","10.7979","0.0003","12.0306","0.0004","21.0272","0.0007","75.806","0.003","78.375","0.002","72.389","0.003","2499.97","0.15","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H58 Cl N2 O7 Re -","- C59 H58 Cl N2 O7 Re -","- C118 H116 Cl2 N4 O14 Re2 -","2","1","","Movsisyan, Levon D.; Peeks, Martin D.; Greetham, Gregory M.; Towrie, Michael; Thompson, Amber L.; Parker, Anthony W.; Anderson, Harry L.","Photophysics of Threaded sp-Carbon Chains: The Polyyne is a Sink for Singlet and Triplet Excitation.","Journal of the American Chemical Society","2014","","","141218154756006","","10.1021/ja510663z","","","1.5418","CuKα","","0.0419","0.0338","","0.0795","0.0755","0.0795","","","","","","0.9775","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123134","26.3893","0.0002","13.8656","0.0001","39.2076","0.0003","90","","106.743","0.0008","90","","13738","0.19","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C143 H168 Cl N2 O7 Re -","- C143 H168 Cl N2 O7 Re -","- C572 H672 Cl4 N8 O28 Re4 -","4","1","","Movsisyan, Levon D.; Peeks, Martin D.; Greetham, Gregory M.; Towrie, Michael; Thompson, Amber L.; Parker, Anthony W.; Anderson, Harry L.","Photophysics of Threaded sp-Carbon Chains: The Polyyne is a Sink for Singlet and Triplet Excitation.","Journal of the American Chemical Society","2014","","","141218154756006","","10.1021/ja510663z","","","0.6889","Synchrotron","","0.0791","0.0669","","0.1309","0.1257","0.1309","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123135","23.663","0.002","6.7979","0.0007","17.5827","0.0018","90","","126.791","0.001","90","","2265","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C26 H27 N3 O2 Pd -","- C26 H27 N3 O2 Pd -","- C104 H108 N12 O8 Pd4 -","4","0.5","","Zhang, Shu-Yu; Li, Qiong; He, Gang; Nack, William A.; Chen, Gong","Pd-Catalyzed Monoselective ortho-C-H Alkylation of N-Quinolyl Benzamides: Evidence for Stereoretentive Coupling of Secondary Alkyl Iodides.","Journal of the American Chemical Society","2015","137","1","531","539","10.1021/ja511557h","","","0.71073","MoKα","","0.0284","0.0269","","","0.0713","0.0726","","","","","","1.07","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123136","8.0734","0.0018","13.099","0.003","16.194","0.004","90","","101.739","0.004","90","","1676.8","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N3 O2 Pd -","- C19 H15 N3 O2 Pd -","- C76 H60 N12 O8 Pd4 -","4","1","","Zhang, Shu-Yu; Li, Qiong; He, Gang; Nack, William A.; Chen, Gong","Pd-Catalyzed Monoselective ortho-C-H Alkylation of N-Quinolyl Benzamides: Evidence for Stereoretentive Coupling of Secondary Alkyl Iodides.","Journal of the American Chemical Society","2015","137","1","531","539","10.1021/ja511557h","","","0.71073","MoKα","","0.1253","0.086","","","0.2049","0.2247","","","","","","1.075","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123137","7.315","0.003","12.298","0.005","12.636","0.005","86.709","0.007","78.617","0.007","84.082","0.007","1107.6","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 N3 O2 Pd -","- C26 H27 N3 O2 Pd -","- C52 H54 N6 O4 Pd2 -","2","1","","Zhang, Shu-Yu; Li, Qiong; He, Gang; Nack, William A.; Chen, Gong","Pd-Catalyzed Monoselective ortho-C-H Alkylation of N-Quinolyl Benzamides: Evidence for Stereoretentive Coupling of Secondary Alkyl Iodides.","Journal of the American Chemical Society","2015","137","1","531","539","10.1021/ja511557h","","","0.71073","MoKα","","0.1533","0.0967","","","0.1974","0.2263","","","","","","1.124","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123138","12.2864","0.0003","12.6957","0.0003","12.8907","0.0004","86.4763","0.0008","88.5529","0.0008","71.3157","0.0007","1901.14","0.09","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 Ag F6 N2 Sb -","- C48 H32 Ag F6 N2 Sb -","- C96 H64 Ag2 F12 N4 Sb2 -","2","1","","Omoto, Kenichiro; Tashiro, Shohei; Kuritani, Masumi; Shionoya, Mitsuhiko","Multipoint Recognition of Ditopic Aromatic Guest Molecules via Ag-π Interactions within a Dimetal Macrocycle.","Journal of the American Chemical Society","2014","","","141216134140000","","10.1021/ja5106249","","","0.71075","MoKα","","","0.029","","","","0.0763","","","","","","1.08","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123139","12.4086","0.0006","22.2413","0.0009","23.7368","0.001","92.379","0.001","90.228","0.001","105.396","0.001","6309.7","0.5","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C224.28 H197.68 Ag4 Cl24.85 F24 N8 O14.7 Sb4 -","- C224.284 H180.284 Ag4 Cl24.852 F24 N8 O14.704 Sb4 -","- C224.284 H180.284 Ag4 Cl24.852 F24 N8 O14.704 Sb4 -","1","0.5","","Omoto, Kenichiro; Tashiro, Shohei; Kuritani, Masumi; Shionoya, Mitsuhiko","Multipoint Recognition of Ditopic Aromatic Guest Molecules via Ag-π Interactions within a Dimetal Macrocycle.","Journal of the American Chemical Society","2014","","","141216134140000","","10.1021/ja5106249","","","0.71075","MoKα","","0.1247","0.0798","","","0.2229","0.2675","","","","","","1.112","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123140","29.8734","0.0019","36.531","0.002","24.3398","0.0014","90","","120.035","0.0014","90","","22995","2","93","","93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C130.39 H106.49 Ag2 F6 N4 O8 S2 -","- C130.392 H106.49 Ag2 F6 N4 O8 S2 -","- C1043.14 H851.92 Ag16 F48 N32 O64 S16 -","8","1","","Omoto, Kenichiro; Tashiro, Shohei; Kuritani, Masumi; Shionoya, Mitsuhiko","Multipoint Recognition of Ditopic Aromatic Guest Molecules via Ag-π Interactions within a Dimetal Macrocycle.","Journal of the American Chemical Society","2014","","","141216134140000","","10.1021/ja5106249","","","0.71075","MoKα","","0.1988","0.1276","","","0.3483","0.3917","","","","","","1.217","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123141","11.8793","0.0003","12.7449","0.0004","13.1635","0.0004","90.9228","0.0011","94.7179","0.0009","100.35","0.0009","1952.92","0.1","98","","98","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H34 Ag F6 N2 O Sb -","- C44 H34 Ag F6 N2 O Sb -","- C88 H68 Ag2 F12 N4 O2 Sb2 -","2","1","","Omoto, Kenichiro; Tashiro, Shohei; Kuritani, Masumi; Shionoya, Mitsuhiko","Multipoint Recognition of Ditopic Aromatic Guest Molecules via Ag-π Interactions within a Dimetal Macrocycle.","Journal of the American Chemical Society","2014","","","141216134140000","","10.1021/ja5106249","","","0.71075","MoKα","","0.0213","0.0196","","","0.0702","0.0757","","","","","","1.15","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123142","17.7926","0.0004","13.3933","0.0003","24.5823","0.0006","90","","99.1138","0.0007","90","","5784","0.2","96","","96","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C65 H57 Ag Cl3 F6 N2 O2 Sb -","- C65 H57 Ag Cl3 F6 N2 O2 Sb -","- C260 H228 Ag4 Cl12 F24 N8 O8 Sb4 -","4","1","","Omoto, Kenichiro; Tashiro, Shohei; Kuritani, Masumi; Shionoya, Mitsuhiko","Multipoint Recognition of Ditopic Aromatic Guest Molecules via Ag-π Interactions within a Dimetal Macrocycle.","Journal of the American Chemical Society","2014","","","141216134140000","","10.1021/ja5106249","","","0.71075","MoKα","","","0.0812","","","","0.2368","","","","","","1.02","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123143","5.46","0.002","19.858","0.007","25.535","0.01","90","","90","","90","","2768.6","1.8","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16.5 Br O3 -","- C13 H16.5 Br O3 -","- C104 H132 Br8 O24 -","8","2","","Guptill, David M.; Davies, Huw M. L.","2,2,2-Trichloroethyl Aryldiazoacetates as Robust Reagents for the Enantioselective C-H Functionalization of Methyl Ethers.","Journal of the American Chemical Society","2014","","","141215145223006","","10.1021/ja5107404","","","0.71073","MoKα","","0.1946","0.0886","","","0.1995","0.2831","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123144","13.9306","0.0016","21.573","0.002","41.331","0.006","90","","90","","90","","12421","3","100","2","100","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C52 H78 Eu2 F12 N12 O13 P2 -","- C52 H78 Eu2 F12 N12 O13 P2 -","- C416 H624 Eu16 F96 N96 O104 P16 -","8","1","","Rodríguez-Rodríguez, Aurora; Esteban-Gómez, David; Tripier, Raphaël; Tircsó, Gyula; Garda, Zoltán; Tóth, Imre; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos","Lanthanide(III) Complexes with a Reinforced Cyclam Ligand Show Unprecedented Kinetic Inertness.","Journal of the American Chemical Society","2014","","","141219122522002","","10.1021/ja511331n","","x-ray","0.71073","MoKα","","0.1143","0.0671","","","0.1271","0.1451","","","","","","1.018","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123145","9.1551","0.0001","9.1571","0.0001","35.8168","0.0005","92.624","0.001","91.737","0.001","101.022","0.001","2941.86","0.06","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C41 H43 Cl5 F3 N3 O17 Pt S Si8 -","- C41 H43 Cl5 F3 N3 O17 Pt S Si8 -","- C82 H86 Cl10 F6 N6 O34 Pt2 S2 Si16 -","2","1","","Au-Yeung, Ho-Leung; Leung, Sammual Yu-Lut; Tam, Anthony Yiu-Yan; Yam, Vivian Wing-Wah","Transformable Nanostructures of Platinum-Containing Organosilane Hybrids: Non-covalent Self-Assembly of Polyhedral Oligomeric Silsesquioxanes Assisted by Pt···Pt and π-π Stacking Interactions of Alkynylplatinum(II) Terpyridine Moieties.","Journal of the American Chemical Society","2014","","","141219093104001","","10.1021/ja510048b","","","1.54178","CuKα","","0.0612","0.0605","","","0.1594","0.1601","","","","","","1.058","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123146","10.9333","0.0011","13.7311","0.0013","15.0616","0.0015","93.915","0.004","106.122","0.004","112.247","0.004","1971.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Fe(III)(OEP)(2-MeHIm)(NO), ClO4","","","- C40.5 H51 Cl2 Fe N7 O5 -","- C40.5 H51 Cl2 Fe N7 O5 -","- C81 H102 Cl4 Fe2 N14 O10 -","2","1","","Li, Jianfeng; Peng, Qian; Oliver, Allen G.; Alp, E. Ercan; Hu, Michael Y.; Zhao, Jiyong; Sage, J. Timothy; Scheidt, W. Robert","Comprehensive Fe-Ligand Vibration Identification in {FeNO}(6) Hemes.","Journal of the American Chemical Society","2014","","","141218154634001","","10.1021/ja5105766","","","0.71073","MoKα","","0.0615","0.054","","","0.1471","0.1564","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123147","32.764","0.0012","32.764","0.0012","32.257","0.002","90","","90","","90","","34627","3","173","2","173","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C136 H936 Cl24 Nd104 O692 -","- C120 H312 Cl24 Nd104 O534 -","- C240 H624 Cl48 Nd208 O1068 -","2","0.125","","Peng, Jun-Bo; Kong, Xiang-Jian; Zhang, Qian-Chong; Orendáč, Martin; Prokleška, Jan; Ren, Yan-Ping; Long, La-Sheng; Zheng, Zhiping; Zheng, Lan-Sun","Beauty, Symmetry, and Magnetocaloric Effect-Four-Shell Keplerates with 104 Lanthanide Atoms.","Journal of the American Chemical Society","2014","","","141218121523002","","10.1021/ja5107749","","","0.71073","MoKα","","0.1517","0.103","","","0.2193","0.2456","","","","","","1.029","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123148","28.4235","0.0009","29.0435","0.0008","29.0487","0.0009","77.113","0.002","61.544","0.003","71.479","0.003","19917","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H852 Cl28 Nd104 O676 -","- C112 H330 Cl28 Nd104 O532 -","- C112 H330 Cl28 Nd104 O532 -","1","0.5","","Peng, Jun-Bo; Kong, Xiang-Jian; Zhang, Qian-Chong; Orendáč, Martin; Prokleška, Jan; Ren, Yan-Ping; Long, La-Sheng; Zheng, Zhiping; Zheng, Lan-Sun","Beauty, Symmetry, and Magnetocaloric Effect-Four-Shell Keplerates with 104 Lanthanide Atoms.","Journal of the American Chemical Society","2014","","","141218121523002","","10.1021/ja5107749","","","0.71073","MoKα","","0.1915","0.0868","","","0.1741","0.2166","","","","","","0.887","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123149","28.065","0.004","28.197","0.004","28.503","0.004","64.603","0.002","65.165","0.002","60.816","0.002","17142","4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H852 Cl28 Gd104 O676 -","- C106 H318 Cl28 Gd104 O502 -","- C106 H318 Cl28 Gd104 O502 -","1","0.5","","Peng, Jun-Bo; Kong, Xiang-Jian; Zhang, Qian-Chong; Orendáč, Martin; Prokleška, Jan; Ren, Yan-Ping; Long, La-Sheng; Zheng, Zhiping; Zheng, Lan-Sun","Beauty, Symmetry, and Magnetocaloric Effect-Four-Shell Keplerates with 104 Lanthanide Atoms.","Journal of the American Chemical Society","2014","","","141218121523002","","10.1021/ja5107749","","","0.71073","MoKα","","0.2056","0.0986","","","0.2066","0.2281","","","","","","0.904","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123150","9.6573","0.0009","16.3977","0.0015","21.2536","0.0019","90","","94.398","0.001","90","","3355.8","0.5","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H51 P3 Si3 W -","- C27 H51 P3 Si3 W -","- C108 H204 P12 Si12 W4 -","4","1","","Zuzek, Ashley A.; Neary, Michelle C.; Parkin, Gerard","σ-Silane, Disilanyl, and [W(μ-H)Si(μ-H)W] Bridging Silylene Complexes via the Reactions of W(PMe3)4(η(2)-CH2PMe2)H with Phenylsilanes.","Journal of the American Chemical Society","2014","","","141217070549000","","10.1021/ja510703s","","","0.71073","MoKα","","0.1062","0.0524","","","0.0943","0.1119","","","","","","1.012","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123151","9.5594","0.0007","9.4055","0.0007","29.378","0.002","90","","91.234","0.001","90","","2640.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H43 P3 Si W -","- C21 H43 P3 Si W -","- C84 H172 P12 Si4 W4 -","4","1","","Zuzek, Ashley A.; Neary, Michelle C.; Parkin, Gerard","σ-Silane, Disilanyl, and [W(μ-H)Si(μ-H)W] Bridging Silylene Complexes via the Reactions of W(PMe3)4(η(2)-CH2PMe2)H with Phenylsilanes.","Journal of the American Chemical Society","2014","","","141217070549000","","10.1021/ja510703s","","","0.71073","MoKα","","0.0487","0.0382","","","0.0696","0.0724","","","","","","1.154","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123152","11.276","0.002","13.112","0.002","18.316","0.003","75.844","0.003","81.307","0.003","84.182","0.003","2589.8","0.7","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C38.5 H82 P6 Si3 W2 -","- C38.5 H82 P6 Si3 W2 -","- C77 H164 P12 Si6 W4 -","2","1","","Zuzek, Ashley A.; Neary, Michelle C.; Parkin, Gerard","σ-Silane, Disilanyl, and [W(μ-H)Si(μ-H)W] Bridging Silylene Complexes via the Reactions of W(PMe3)4(η(2)-CH2PMe2)H with Phenylsilanes.","Journal of the American Chemical Society","2014","","","141217070549000","","10.1021/ja510703s","","","0.71073","MoKα","","0.0857","0.0411","","","0.056","0.0648","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123153","9.7561","0.0009","16.1203","0.0015","10.2677","0.001","90","","93.0754","0.0013","90","","1612.5","0.3","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H52 P4 Si2 W -","- C24 H52 P4 Si2 W -","- C48 H104 P8 Si4 W2 -","2","1","","Zuzek, Ashley A.; Neary, Michelle C.; Parkin, Gerard","σ-Silane, Disilanyl, and [W(μ-H)Si(μ-H)W] Bridging Silylene Complexes via the Reactions of W(PMe3)4(η(2)-CH2PMe2)H with Phenylsilanes.","Journal of the American Chemical Society","2014","","","141217070549000","","10.1021/ja510703s","","","0.71073","MoKα","","0.0314","0.0266","","","0.0586","0.0604","","","","","","1.051","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123154","18.2815","0.0003","18.3875","0.0003","33.1185","0.0006","90","","96.477","0.007","90","","11061.8","0.4","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59.88 H52.33 Cu F9 N2 O2.38 P3 -","- C59.882 H52.329 Cu F9 N2 O2.382 P3 -","- C479.056 H418.632 Cu8 F72 N16 O19.056 P24 -","8","2","","Yin, Liang; Brewitz, Lennart; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic Generation of α-CF3 Enolate: Direct Catalytic Asymmetric Mannich-Type Reaction of α-CF3 Amide.","Journal of the American Chemical Society","2014","","","141219122731002","","10.1021/ja511458k","","","1.54187","CuKα","","0.0988","0.0747","","","0.2173","0.2349","","","","","","1.074","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123155","10.1405","0.00018","11.5825","0.0002","18.6098","0.0004","90","","90","","90","","2185.76","0.07","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 F3 N3 O3 -","- C22 H24 F3 N3 O3 -","- C88 H96 F12 N12 O12 -","4","1","","Yin, Liang; Brewitz, Lennart; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic Generation of α-CF3 Enolate: Direct Catalytic Asymmetric Mannich-Type Reaction of α-CF3 Amide.","Journal of the American Chemical Society","2014","","","141219122731002","","10.1021/ja511458k","","","1.54187","CuKα","","","0.028","","","","0.0597","","","","","","1.051","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123156","5.6349","0.0007","12.3583","0.0015","15.003","0.002","113.201","0.004","93.127","0.004","99.011","0.004","940.6","0.2","100","0.2","100","0.2","","","","","","","","5","P 1","P 1","1","(3S,5S)-tert-butyl 3-((4-bromophenyl)carbamoyl)-5-ethoxyisoxazolidine-2-carboxylate","(3S,5S)-tert-butyl 3-((4-bromophenyl)carbamoyl)-5-ethoxyisoxazolidine-2-carboxylate","","- C17 H23 Br N2 O5 -","- C17 H23 Br N2 O5 -","- C34 H46 Br2 N4 O10 -","2","2","","Murar, Claudia E.; Thuaud, Frédéric; Bode, Jeffrey W.","KAHA Ligations That Form Aspartyl Aldehyde Residues as Synthetic Handles for Protein Modification and Purification.","Journal of the American Chemical Society","2014","","","141215094849001","","10.1021/ja511231f","","x-ray","0.71073","MoKα","","0.0695","0.0427","","","0.0698","0.0776","","","","","","0.873","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123157","20.203","0.003","20.203","0.003","20.203","0.003","90","","90","","90","","8246","2","100","2","100","2","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- C31 H21 -","- C31 H21 -","- C496 H336 -","16","0.333333","","Mou, Zhongyu; Uchida, Kazuyuki; Kubo, Takashi; Kertesz, Miklos","Evidence of σ- and π-Dimerization in a Series of Phenalenyls.","Journal of the American Chemical Society","2014","","","141216073244005","","10.1021/ja509243p","","","0.71075","MoKα","","0.0466","0.041","","","0.1009","0.1042","","","","","","1.091","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123158","10.4471","0.0004","11.2032","0.0003","19.9952","0.0006","93.7663","0.001","99.8235","0.001","90.3569","0.001","2300.6","0.13","200","","200","","","","","","","","","2","P -1","-P 1","2","","","","- C16 H15 -","- C16 H15 -","- C128 H120 -","8","4","","Mou, Zhongyu; Uchida, Kazuyuki; Kubo, Takashi; Kertesz, Miklos","Evidence of σ- and π-Dimerization in a Series of Phenalenyls.","Journal of the American Chemical Society","2014","","","141216073244005","","10.1021/ja509243p","","","0.71075","MoKα","","0.1053","0.0478","","","0.1225","0.1773","","","","","","1.146","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123159","20.4186","0.0004","20.4186","0.0004","20.4186","0.0004","90","","90","","90","","8512.9","0.3","300","2","300","2","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- C31 H21 -","- C31 H21 -","- C496 H336 -","16","0.333333","","Mou, Zhongyu; Uchida, Kazuyuki; Kubo, Takashi; Kertesz, Miklos","Evidence of σ- and π-Dimerization in a Series of Phenalenyls.","Journal of the American Chemical Society","2014","","","141216073244005","","10.1021/ja509243p","","","0.71075","MoKα","","0.0655","0.057","","","0.174","0.1819","","","","","","1.178","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123160","8.157","0.0013","8.8163","0.0013","9.1728","0.0015","61.817","0.004","75.861","0.004","78.188","0.004","560.75","0.15","100","2","100","2","","","","","","","","2","P 1","P 1","1","","","","- C16 H15 -","- C16 H15 -","- C32 H30 -","2","2","","Mou, Zhongyu; Uchida, Kazuyuki; Kubo, Takashi; Kertesz, Miklos","Evidence of σ- and π-Dimerization in a Series of Phenalenyls.","Journal of the American Chemical Society","2014","","","141216073244005","","10.1021/ja509243p","","","0.71075","MoKα","","0.1255","0.0606","","","0.1705","0.2669","","","","","","0.93","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123161","14.9753","0.0004","28.8596","0.0007","14.1361","0.0004","90","","111.71","0.002","90","","5676","0.3","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","La2C80(C3N3Ph2)(CH2C6H5)","","","- C204 H34 La4 N6 -","- C204 H34 La3.9996 N6 -","- C408 H68 La7.9992 N12 -","2","0.5","","Yamada, Michio; Kurihara, Hiroki; Suzuki, Mitsuaki; Saito, Masayoshi; Slanina, Zdenek; Uhlik, Filip; Aizawa, Toshihiro; Kato, Tatsuhisa; Olmstead, Marilyn M.; Balch, Alan L.; Maeda, Yutaka; Nagase, Shigeru; Lu, Xing; Akasaka, Takeshi","Hiding and recovering electrons in a dimetallic endohedral fullerene: air-stable products from radical additions.","Journal of the American Chemical Society","2015","137","1","232","238","10.1021/ja509956y","","","0.71073","MoKα","","0.1857","0.0578","","","0.1263","0.1802","","","","","","0.993","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123162","23.242","0.011","10.988","0.005","22.219","0.01","90","","112.174","0.005","90","","5255","4","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","La2@D5h-C80(C3N3(C6H5)2)","","","- C96.5 H10 La2 N3 S3 -","- C96.5 H10 La2 N3 S3 -","- C386 H40 La8 N12 S12 -","4","1","","Yamada, Michio; Kurihara, Hiroki; Suzuki, Mitsuaki; Saito, Masayoshi; Slanina, Zdenek; Uhlik, Filip; Aizawa, Toshihiro; Kato, Tatsuhisa; Olmstead, Marilyn M.; Balch, Alan L.; Maeda, Yutaka; Nagase, Shigeru; Lu, Xing; Akasaka, Takeshi","Hiding and recovering electrons in a dimetallic endohedral fullerene: air-stable products from radical additions.","Journal of the American Chemical Society","2015","137","1","232","238","10.1021/ja509956y","","","0.71073","MoKα","","0.2144","0.1652","","","0.3419","0.368","","","","","","1.176","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123163","22.0705","0.0016","10.9858","0.0008","22.3824","0.0017","90","","114.202","0.004","90","","4949.9","0.7","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","La2C80(C3N3(C6H5)2)","","","- C96 H10 La2 N3 S2 -","- C96 H10 La2.001 N3 S2 -","- C384 H40 La8.004 N12 S8 -","4","1","","Yamada, Michio; Kurihara, Hiroki; Suzuki, Mitsuaki; Saito, Masayoshi; Slanina, Zdenek; Uhlik, Filip; Aizawa, Toshihiro; Kato, Tatsuhisa; Olmstead, Marilyn M.; Balch, Alan L.; Maeda, Yutaka; Nagase, Shigeru; Lu, Xing; Akasaka, Takeshi","Hiding and recovering electrons in a dimetallic endohedral fullerene: air-stable products from radical additions.","Journal of the American Chemical Society","2015","137","1","232","238","10.1021/ja509956y","","","0.71073","MoKα","","0.2014","0.1638","","","0.384","0.4044","","","","","","1.171","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123164","16.0926","0.0011","24.5141","0.0017","13.7704","0.0009","90","","90.5195","0.0009","90","","5432.1","0.6","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K La N2 O7 Si3 -","- C46 H83 K La N2 O7 Si3 -","- C184 H332 K4 La4 N8 O28 Si12 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.043","0.0387","","","0.0991","0.1016","","","","","","1.133","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123165","16.0225","0.0007","24.4424","0.0011","13.7664","0.0006","90","","90.768","0.001","90","","5390.8","0.4","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 Ce K N2 O7 Si3 -","- C46 H83 Ce K N2 O7 Si3 -","- C184 H332 Ce4 K4 N8 O28 Si12 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0283","0.0225","","","0.0513","0.0538","","","","","","1.029","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123166","15.9857","0.0005","24.4019","0.0008","13.7617","0.0005","90","","90.8314","0.0004","90","","5367.6","0.3","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K N2 Nd O7 Si3 -","- C46 H83 K N2 Nd O7 Si3 -","- C184 H332 K4 N8 Nd4 O28 Si12 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0257","0.0217","","","0.0529","0.0548","","","","","","1.029","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123167","8.2638","0.0005","22.1867","0.0013","28.8754","0.0017","90","","90","","90","","5294.2","0.5","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Sm -","- C24 H39 Si3 Sm -","- C192 H312 Si24 Sm8 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0288","0.0192","","","0.0394","0.043","","","","","","1.051","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123168","16.0764","0.0007","24.4921","0.001","13.753","0.0006","90","","90.6567","0.0005","90","","5414.8","0.4","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K N2 O7 Si3 Sm -","- C46 H83 K N2 O7 Si3 Sm -","- C184 H332 K4 N8 O28 Si12 Sm4 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0447","0.0415","","","0.0998","0.1013","","","","","","1.239","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123169","8.261","0.0005","22.2572","0.0014","28.8301","0.0018","90","","90","","90","","5300.9","0.6","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Eu Si3 -","- C24 H39 Eu Si3 -","- C192 H312 Eu8 Si24 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0292","0.0216","","","0.0522","0.0577","","","","","","1.086","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123170","16.0907","0.0009","24.5108","0.0014","13.776","0.0008","90","","90.759","0.0006","90","","5432.7","0.5","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 Eu K N2 O7 Si3 -","- C46 H83 Eu K N2 O7 Si3 -","- C184 H332 Eu4 K4 N8 O28 Si12 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0351","0.0307","","","0.0826","0.0856","","","","","","1.049","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123171","8.2129","0.0005","22.2848","0.0014","28.7133","0.0018","90","","90","","90","","5255.2","0.6","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Dy Si3 -","- C24 H39 Dy Si3 -","- C192 H312 Dy8 Si24 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0264","0.0202","","","0.0457","0.0484","","","","","","1.055","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123172","15.91","0.004","24.356","0.006","13.764","0.004","90","","91.137","0.003","90","","5333","2","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 Dy K N2 O7 Si3 -","- C46 H83 Dy K N2 O7 Si3 -","- C184 H332 Dy4 K4 N8 O28 Si12 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0523","0.0444","","","0.1157","0.1244","","","","","","1.053","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123173","8.2012","0.0003","22.4085","0.0008","28.6584","0.001","90","","90","","90","","5266.7","0.3","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Tm -","- C24 H39 Si3 Tm -","- C192 H312 Si24 Tm8 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0313","0.0205","","","0.0423","0.0457","","","","","","1.031","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123174","15.9496","0.0008","24.3143","0.0013","13.8072","0.0007","90","","91.0773","0.0006","90","","5353.5","0.5","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K N2 O7 Si3 Tm -","- C46 H83 K N2 O7 Si3 Tm -","- C184 H332 K4 N8 O28 Si12 Tm4 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0366","0.0306","","","0.0808","0.0843","","","","","","1.036","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123175","8.1548","0.0008","22.333","0.002","28.58","0.003","90","","90","","90","","5205","0.9","138","2","138","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Yb -","- C24 H39 Si3 Yb -","- C192 H312 Si24 Yb8 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0263","0.0211","","","0.0487","0.051","","","","","","1.044","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123176","15.9471","0.0005","24.2284","0.0008","13.8243","0.0005","90","","91.1563","0.0004","90","","5340.2","0.3","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K N2 O7 Si3 Yb -","- C46 H83 K N2 O7 Si3 Yb -","- C184 H332 K4 N8 O28 Si12 Yb4 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0193","0.0172","","","0.0411","0.0419","","","","","","1.026","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123177","8.9223","0.0008","9.9063","0.0008","12.6748","0.0011","103.826","0.004","90.574","0.005","112.147","0.004","1001.31","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H30 O4 Rh2 -","- C20 H30 O4 Rh2 -","- C40 H60 O8 Rh4 -","2","1","","Filloux, Claire M.; Rovis, Tomislav","Rh(I)-Bisphosphine-Catalyzed Asymmetric, Intermolecular Hydroheteroarylation of α-Substituted Acrylate Derivatives.","Journal of the American Chemical Society","2015","137","1","508","517","10.1021/ja511445x","","","0.71073","MoKα","","0.0604","0.0324","","","0.0722","0.0909","","","","","","1.088","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123178","6.5597","0.0008","11.5373","0.0015","12.7944","0.0016","115.698","0.002","94.737","0.003","90.161","0.003","868.74","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H16 B4 N4 -","- C4 H16 B4 N4 -","- C16 H64 B16 N16 -","4","2","","Chen, Gang; Zakharov, Lev N.; Bowden, Mark E.; Karkamkar, Abhijeet J.; Whittemore, Sean M.; Garner, 3rd, Edward B; Mikulas, Tanya C.; Dixon, David A.; Autrey, Tom; Liu, Shih-Yuan","Bis-BN Cyclohexane: A Remarkably Kinetically Stable Chemical Hydrogen Storage Material.","Journal of the American Chemical Society","2015","137","1","134","137","10.1021/ja511766p","","","0.71073","MoKα","","0.0472","0.04","","","0.1058","0.1137","","","","","","1.031","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123179","7.5022","0.0007","11.7006","0.0011","10.0035","0.0009","90","","90.536","0.003","90","","878.07","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 B4 N4 -","- C4 H16 B4 N4 -","- C16 H64 B16 N16 -","4","0.5","","Chen, Gang; Zakharov, Lev N.; Bowden, Mark E.; Karkamkar, Abhijeet J.; Whittemore, Sean M.; Garner, 3rd, Edward B; Mikulas, Tanya C.; Dixon, David A.; Autrey, Tom; Liu, Shih-Yuan","Bis-BN Cyclohexane: A Remarkably Kinetically Stable Chemical Hydrogen Storage Material.","Journal of the American Chemical Society","2015","137","1","134","137","10.1021/ja511766p","","","0.71073","MoKα","","0.0374","0.0327","","","0.092","0.0962","","","","","","1.094","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123180","17.0141","0.0003","6.5808","0.0001","22.6057","0.0005","90","","112.034","0.001","90","","2346.21","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H44 B2 N2 Si4 -","- C14 H44 B2 N2 Si4 -","- C56 H176 B8 N8 Si16 -","4","1","","Chen, Gang; Zakharov, Lev N.; Bowden, Mark E.; Karkamkar, Abhijeet J.; Whittemore, Sean M.; Garner, 3rd, Edward B; Mikulas, Tanya C.; Dixon, David A.; Autrey, Tom; Liu, Shih-Yuan","Bis-BN Cyclohexane: A Remarkably Kinetically Stable Chemical Hydrogen Storage Material.","Journal of the American Chemical Society","2015","137","1","134","137","10.1021/ja511766p","","","0.71073","MoKα","","0.0537","0.0392","","","0.1008","0.1088","","","","","","1.072","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123181","4.5761","0.0006","6.8112","0.0009","8.7189","0.0011","90","","91.261","0.003","90","","271.69","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H12 B2 N2 -","- C2 H12 B2 N2 -","- C4 H24 B4 N4 -","2","0.5","","Chen, Gang; Zakharov, Lev N.; Bowden, Mark E.; Karkamkar, Abhijeet J.; Whittemore, Sean M.; Garner, 3rd, Edward B; Mikulas, Tanya C.; Dixon, David A.; Autrey, Tom; Liu, Shih-Yuan","Bis-BN Cyclohexane: A Remarkably Kinetically Stable Chemical Hydrogen Storage Material.","Journal of the American Chemical Society","2015","137","1","134","137","10.1021/ja511766p","","","0.71073","MoKα","","0.0369","0.0348","","","0.1037","0.1065","","","","","","1.038","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123182","17.9656","0.0011","9.6793","0.0007","21.8956","0.0012","90","","91.748","0.003","90","","3805.8","0.4","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 F6 N2 O10 Pd -","- C36 H24 F6 N2 O10 Pd -","- C144 H96 F24 N8 O40 Pd4 -","4","1","","Curto, John M.; Kozlowski, Marisa C.","Chemoselective Activation of sp(3) vs sp(2) C-H Bonds with Pd(II).","Journal of the American Chemical Society","2015","137","1","18","21","10.1021/ja5093166","","","0.71073","MoKα","","0.1153","0.1089","","","0.2554","0.2578","","","","","","1.235","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123183","6.7034","0.0002","10.1139","0.0003","19.035","0.0005","87.503","0.002","82.219","0.002","76.286","0.001","1242.1","0.06","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N2 O6 -","- C32 H24 N2 O6 -","- C64 H48 N4 O12 -","2","1","","Curto, John M.; Kozlowski, Marisa C.","Chemoselective Activation of sp(3) vs sp(2) C-H Bonds with Pd(II).","Journal of the American Chemical Society","2015","137","1","18","21","10.1021/ja5093166","","","0.71073","MoKα","","0.0624","0.0414","","","0.1115","0.127","","","","","","1.022","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123184","6.632","0.003","10.479","0.006","7.011","0.004","90","","111.286","0.017","90","","454","0.4","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C10 H5 F5 Fe -","- C10 H5 F5 Fe -","- C20 H10 F10 Fe2 -","2","0.5","","Sünkel, Karlheinz; Weigand, Stefan; Hoffmann, Alexander; Blomeyer, Sebastian; Reuter, Christian G.; Vishnevskiy, Yury V.; Mitzel, Norbert W.","Synthesis and characterization of 1,2,3,4,5-pentafluoroferrocene.","Journal of the American Chemical Society","2015","137","1","126","129","10.1021/ja511588p","","x-ray","0.71073","MoKα","","0.029","0.0252","","","0.0699","0.0714","","","","","","1.22","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123185","12.3182","0.0014","15.0702","0.0017","17.7888","0.0016","90","","107.495","0.01","90","","3149.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Al N2 S4 -","- C29 H41 Al N2 S4 -","- C116 H164 Al4 N8 S16 -","4","1","","Li, Bin; Li, Jiancheng; Roesky, Herbert W.; Zhu, Hongping","Synthesis and characterization of coinage metal aluminum sulfur species.","Journal of the American Chemical Society","2015","137","1","162","164","10.1021/ja511722a","","","1.54178","CuKα","","0.1019","0.0868","","","0.2316","0.2521","","","","","","1.028","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123186","25.9692","0.001","17.2638","0.001","33.7474","0.0012","90","","101.646","0.004","90","","14818.4","1.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C136 H194 Ag8 Al4 Ge0 N8 S8 -","- C136 H194 Ag8 Al4 N8 S8 -","- C544 H776 Ag32 Al16 N32 S32 -","4","1","","Li, Bin; Li, Jiancheng; Roesky, Herbert W.; Zhu, Hongping","Synthesis and characterization of coinage metal aluminum sulfur species.","Journal of the American Chemical Society","2015","137","1","162","164","10.1021/ja511722a","","","0.71073","MoKα","","0.1724","0.0873","","","0.138","0.1694","","","","","","0.982","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123187","15.1861","0.0009","15.6922","0.0011","14.0997","0.0008","90","","113.341","0.007","90","","3085","0.4","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C58 H82 Al2 Cu4 N4 S4 -","- C58 H82 Al2 Cu4 N4 S4 -","- C116 H164 Al4 Cu8 N8 S8 -","2","0.5","","Li, Bin; Li, Jiancheng; Roesky, Herbert W.; Zhu, Hongping","Synthesis and characterization of coinage metal aluminum sulfur species.","Journal of the American Chemical Society","2015","137","1","162","164","10.1021/ja511722a","","","0.71073","MoKα","","0.0851","0.0524","","","0.0993","0.1098","","","","","","1.031","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123188","15.559","0.0009","12.7408","0.0007","17.0791","0.001","90","","105.427","0.006","90","","3263.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Al N2 S6 -","- C29 H41 Al N2 S6 -","- C116 H164 Al4 N8 S24 -","4","1","","Li, Bin; Li, Jiancheng; Roesky, Herbert W.; Zhu, Hongping","Synthesis and characterization of coinage metal aluminum sulfur species.","Journal of the American Chemical Society","2015","137","1","162","164","10.1021/ja511722a","","","0.71073","MoKα","","0.1702","0.0861","","","0.1507","0.1812","","","","","","0.982","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123189","25.3468","0.0006","25.3468","0.0006","25.3468","0.0006","90","","90","","90","","16284.3","0.7","110","2","110","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C216 H120 N12 Ni3 O32 Zr6 -","- C216 H120 N12 Ni3 O32 Zr6 -","- C216 H120 N12 Ni3 O32 Zr6 -","1","0.0208333","","Liu, Tian-Fu; Feng, Dawei; Chen, Ying-Pin; Zou, Lanfang; Bosch, Mathieu; Yuan, Shuai; Wei, Zhangwen; Fordham, Stephen; Wang, Kecheng; Zhou, Hong-Cai","Topology-guided design and syntheses of highly stable mesoporous porphyrinic zirconium metal-organic frameworks with high surface area.","Journal of the American Chemical Society","2015","137","1","413","419","10.1021/ja5111317","","","0.71073","MoKα","","0.1023","0.0968","","","0.2618","0.2683","","","","","","1.005","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123190","38.4224","0.0012","38.4224","0.0012","38.4224","0.0012","90","","90","","90","","56722","3","110","2","110","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C408 H318 N12 O32 Zr6 -","- C408 H318 N12 O32 Zr6 -","- C408 H318 N12 O32 Zr6 -","1","0.0208333","","Liu, Tian-Fu; Feng, Dawei; Chen, Ying-Pin; Zou, Lanfang; Bosch, Mathieu; Yuan, Shuai; Wei, Zhangwen; Fordham, Stephen; Wang, Kecheng; Zhou, Hong-Cai","Topology-guided design and syntheses of highly stable mesoporous porphyrinic zirconium metal-organic frameworks with high surface area.","Journal of the American Chemical Society","2015","137","1","413","419","10.1021/ja5111317","","","0.71073","MoKα","","0.1625","0.1602","","","0.3489","0.3505","","","","","","1.004","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123191","11.5681","0.0004","12.5973","0.0004","13.5922","0.0005","90","","90","","90","","1980.75","0.12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Cl O4 S -","- C21 H23 Cl O4 S -","- C84 H92 Cl4 O16 S4 -","4","1","","Goodman, C. Guy; Walker, Morgan M.; Johnson, Jeffrey S.","Enantioconvergent Synthesis of Functionalized γ-Butyrolactones via (3 + 2)-Annulation.","Journal of the American Chemical Society","2015","137","1","122","125","10.1021/ja511701j","","","1.54178","CuKα","","0.0281","0.0273","","","0.072","0.0725","","","","","","1.06","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123192","16.4623","0.0007","16.687","0.0007","21.9358","0.001","72.571","0.003","74.463","0.002","62.139","0.002","5024.1","0.4","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 N O7 -","- C31 H29 N O7 -","- C248 H232 N8 O56 -","8","4","","Stone, Steven D.; Lajkiewicz, Neil J.; Whitesell, Luke; Hilmy, Ahmed; Porco, Jr, John A","Biomimetic kinetic resolution: highly enantio- and diastereoselective transfer hydrogenation of aglain ketones to access flavagline natural products.","Journal of the American Chemical Society","2015","137","1","525","530","10.1021/ja511728b","","","1.54178","CuKα","","0.0603","0.0552","","","0.1484","0.1537","","","","","","1.031","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123193","7.1984","0.0003","11.0786","0.0004","20.0022","0.0008","86.3176","0.0015","86.4171","0.0014","89.6638","0.0019","1588.73","0.11","150","","150","","","","101","","","","synthesized","5","P -1","-P 1","2","","","","- C26 H40 Cl I2 N7 -","- C26 H40 Cl I2 N7 -","- C52 H80 Cl2 I4 N14 -","2","1","","Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.; Brown, Asha; Thompson, Amber L.; Kennepohl, Pierre; Beer, Paul D.","Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition.","Journal of the American Chemical Society","2015","137","1","499","507","10.1021/ja511648d","","","0.71073","MoKα","","0.0732","0.0471","","0.136","0.1114","0.136","","","","","","0.9549","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123194","13.8599","0.0006","15.3852","0.0008","17.8614","0.0007","75.334","0.004","70.075","0.004","86.233","0.004","3463.2","0.3","100","","100","","","","101","","","","synthesized","6","P -1","-P 1","2","","","","- C66 H74 Cl I2 N9 O15 -","- C66 H74 Cl I2 N9 O15 -","- C132 H148 Cl2 I4 N18 O30 -","2","1","","Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.; Brown, Asha; Thompson, Amber L.; Kennepohl, Pierre; Beer, Paul D.","Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition.","Journal of the American Chemical Society","2015","137","1","499","507","10.1021/ja511648d","","","0.6889","synchrotron","","0.0967","0.0722","","0.2079","0.1827","0.2079","","","","","","1.0532","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123195","13.9754","0.0016","15.0529","0.0019","17.8496","0.0009","73.074","0.009","69.278","0.009","84.858","0.01","3359.6","0.7","100","","100","","","","101","","","","synthesized","6","P -1","-P 1","2","","","","- C66 H74 Br I2 N9 O15 -","- C66 H74 Br I2 N9 O15 -","- C132 H148 Br2 I4 N18 O30 -","2","1","","Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.; Brown, Asha; Thompson, Amber L.; Kennepohl, Pierre; Beer, Paul D.","Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition.","Journal of the American Chemical Society","2015","137","1","499","507","10.1021/ja511648d","","","0.6889","synchrotron","","0.148","0.1009","","0.3519","0.2635","0.3518","","","","","","1.0047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123196","13.857","0.0004","15.5217","0.0007","17.8913","0.0006","72.227","0.003","68.038","0.003","83.956","0.003","3398.4","0.2","100","","100","","","","101","","","","synthesized","5","P -1","-P 1","2","","","","- C66 H74 I3 N9 O15 -","- C66 H74 I3 N9 O15 -","- C132 H148 I6 N18 O30 -","2","1","","Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.; Brown, Asha; Thompson, Amber L.; Kennepohl, Pierre; Beer, Paul D.","Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition.","Journal of the American Chemical Society","2015","137","1","499","507","10.1021/ja511648d","","","0.6889","synchrotron","","0.0881","0.0615","","0.1519","0.1331","0.1519","","","","","","0.982","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123197","13.3432","0.0003","16.0601","0.0004","19.3748","0.0005","78.747","0.002","89.835","0.002","67.026","0.002","3736.71","0.17","100","","100","","","","101","","","","synthesized","6","P -1","-P 1","2","","","","- C66 H74 I2 N9 O17 S0.5 -","- C66 H74 I2 N9 O17 S0.5 -","- C132 H148 I4 N18 O34 S -","2","1","","Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.; Brown, Asha; Thompson, Amber L.; Kennepohl, Pierre; Beer, Paul D.","Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition.","Journal of the American Chemical Society","2015","137","1","499","507","10.1021/ja511648d","","","0.6889","synchrotron","","0.1007","0.0871","","0.2049","0.1908","0.2049","","","","","","0.9839","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123198","13.3757","0.0004","16.0589","0.0006","19.4107","0.0007","78.599","0.003","89.672","0.003","66.939","0.003","3748.6","0.2","0","","100","","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C66 H74 I2 N9 O17 P0.5 -","- C66 H74 I2 N9 O17 P0.5 -","- C132 H148 I4 N18 O34 P -","2","1","","Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.; Brown, Asha; Thompson, Amber L.; Kennepohl, Pierre; Beer, Paul D.","Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition.","Journal of the American Chemical Society","2015","137","1","499","507","10.1021/ja511648d","","","0.6889","synchrotron","","0.1033","0.0785","","0.3024","0.2329","0.3024","","","","","","0.8627","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123199","8.708","0.0003","9.9715","0.0003","10.5466","0.0003","66.505","0.002","89.64","0.002","71.054","0.002","786.31","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 Cl6 N4 O6 Rh2 -","- C20 H32 Cl6 N4 O6 Rh2 -","- C20 H32 Cl6 N4 O6 Rh2 -","1","0.5","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.0395","0.0363","","","0.0896","0.0912","","","","","","0.932","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123200","6.4436","0.0004","15.2933","0.001","19.2668","0.0014","90","","90","","90","","1898.6","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C92 H100 N4 O12 -","4","1","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.1184","0.0582","","","0.098","0.1186","","","","","","0.982","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123201","6.2758","0.0004","28.5924","0.0019","7.9866","0.0005","90","","101.622","0.005","90","","1403.74","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.1089","0.076","","","0.1877","0.2035","","","","","","1.122","","","","has coordinates","194000","2020-10-21","18:00:00",""
"4123202","9.8946","0.0007","13.0231","0.0009","27.7287","0.0019","90","","90","","90","","3573.1","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C176 H184 N8 O24 -","8","2","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.043","0.0364","","","0.0882","0.0925","","","","","","1.03","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123203","19.636","0.0004","12.1674","0.0002","11.4299","0.0002","90","","119.202","0.003","90","","2383.75","0.1","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H11.56 Cl0.89 N0.89 O3.56 Rh0.89 -","- C8 H11.5556 Cl0.888889 N0.888889 O3.55556 Rh0.888889 -","- C72 H104 Cl8 N8 O32 Rh8 -","9","1.125","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","1.54184","CuKα","","0.0209","0.0189","","0.0503","0.049","0.0501","","","","","","0.9942","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123204","11.9218","0.0014","12.1401","0.0014","17.385","0.002","96.097","0.004","93.726","0.005","113.041","0.005","2286.7","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H30 F21 N O8 P Rh S -","- C40 H30 F21 N O8 P Rh S -","- C80 H60 F42 N2 O16 P2 Rh2 S2 -","2","1","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","1.54178","CuKα","","0.0696","0.0637","","","0.1697","0.176","","","","","","1.026","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123205","8.483","0.0002","9.2698","0.0002","17.7426","0.0004","90","","92.575","0.001","90","","1393.79","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.0411","0.0344","","","0.0829","0.0874","","","","","","1.035","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123206","9.8425","0.0002","11.6612","0.0002","18.2368","0.0004","89.224","0.001","85.156","0.001","76.978","0.001","2031.99","0.07","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C34 H22 F21 N O7 P Rh S -","- C34 H22 F21 N O7 P Rh S -","- C68 H44 F42 N2 O14 P2 Rh2 S2 -","2","1","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.0512","0.0361","","","0.0778","0.0846","","","","","","1.021","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123207","9.4832","0.0002","22.4763","0.0004","7.2915","0.0001","90","","105.178","0.001","90","","1499.95","0.05","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cl2 N2 O8 Rh2 -","- C28 H30 Cl2 N2 O8 Rh2 -","- C56 H60 Cl4 N4 O16 Rh4 -","2","0.5","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.0318","0.0233","","","0.0482","0.0511","","","","","","1.022","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123208","12.8123","0.0004","6.8936","0.0002","19.3696","0.0006","90","","104.829","0.002","90","","1653.8","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H42 O9 -","- C38 H42 O9 -","- C76 H84 O18 -","2","1","","Fan, Yao-Yue; Zhang, Hua; Zhou, Yu; Liu, Hong-Bing; Tang, Wei; Zhou, Bin; Zuo, Jian-Ping; Yue, Jian-Min","Phainanoids A-F, A New Class of Potent Immunosuppressive Triterpenoids with an Unprecedented Carbon Skeleton from Phyllanthus hainanensis.","Journal of the American Chemical Society","2015","137","1","138","141","10.1021/ja511813g","","","1.54178","CuKα","","0.0709","0.063","","","0.1721","0.1891","","","","","","1.045","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123209","7.1422","0.0001","10.1714","0.0002","23.7772","0.0004","90","","94.603","0.001","90","","1721.75","0.05","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H47 O9 -","- C39 H47 O9 -","- C78 H94 O18 -","2","1","","Fan, Yao-Yue; Zhang, Hua; Zhou, Yu; Liu, Hong-Bing; Tang, Wei; Zhou, Bin; Zuo, Jian-Ping; Yue, Jian-Min","Phainanoids A-F, A New Class of Potent Immunosuppressive Triterpenoids with an Unprecedented Carbon Skeleton from Phyllanthus hainanensis.","Journal of the American Chemical Society","2015","137","1","138","141","10.1021/ja511813g","","","1.54178","CuKα","","0.0365","0.0361","","","0.1102","0.1112","","","","","","0.996","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123210","13.1534","0.0007","19.312","0.001","9.2366","0.0005","90","","90","","90","","2346.3","0.2","296","2","296","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C38 H84 N2 O Pt Sn2 -","- C38 H84 N2 O Pt Sn2 -","- C76 H168 N4 O2 Pt2 Sn4 -","2","0.25","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0569","0.0437","","","0.1062","0.1118","","","","","","1.08","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123211","13.6893","0.0006","15.7758","0.0007","19.1337","0.0008","90","","91.0532","0.0007","90","","4131.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H72 N2 Pt Sn2 -","- C34 H72 N2 Pt Sn2 -","- C136 H288 N8 Pt4 Sn8 -","4","1","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0491","0.0293","","","0.0552","0.0615","","","","","","1.015","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123212","12.5045","0.0003","21.612","0.0006","21.7113","0.0006","90","","99.923","0.001","90","","5779.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H78 N2 Pt Sn2 -","- C49 H78 N2 Pt Sn2 -","- C196 H312 N8 Pt4 Sn8 -","4","1","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0593","0.0387","","","0.135","0.1482","","","","","","1.105","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123213","12.8184","0.0005","20.1485","0.0008","14.4433","0.0006","90","","90","","90","","3730.3","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H60 N2 Pt Sn2 -","- C28 H60 N2 Pt Sn2 -","- C112 H240 N8 Pt4 Sn8 -","4","0.5","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0439","0.0264","","","0.063","0.0763","","","","","","1.09","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123214","9.9845","0.0006","10.4305","0.0006","11.9205","0.0007","65.689","0.001","75.845","0.001","86.271","0.001","1096.11","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H48 N2 Pt Sn2 -","- C46 H48 N2 Pt Sn2 -","- C46 H48 N2 Pt Sn2 -","1","0.5","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0398","0.0296","","","0.0684","0.0726","","","","","","1.054","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123215","13.2568","0.0006","18.3985","0.0008","24.2209","0.0011","90","","90","","90","","5907.6","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H64 N2 Pt Sn3 -","- C64 H64 N2 Pt Sn3 -","- C256 H256 N8 Pt4 Sn12 -","4","1","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0654","0.0487","","","0.1075","0.1146","","","","","","1.048","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123216","22.0027","0.0012","22.0027","0.0012","24.3085","0.0013","90","","90","","120","","10191.6","1","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C64 H84 N2 Pt Sn2 -","- C64 H84 N2 Pt Sn2 -","- C384 H504 N12 Pt6 Sn12 -","6","0.5","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0815","0.0431","","","0.1245","0.1666","","","","","","1.165","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123217","13.9304","0.0009","19.0073","0.0013","9.4382","0.0006","90","","90","","90","","2499","0.3","293","2","296","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C35 H72 N2 O Pt Sn2 -","- C35 H72 N2 O Pt Sn2 -","- C70 H144 N4 O2 Pt2 Sn4 -","2","0.25","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0632","0.0442","","","0.1369","0.1507","","","","","","1.133","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123218","15.3248","0.0002","9.1981","0.0001","24.1611","0.0003","90","","98.2477","0.0006","90","","3370.5","0.07","293","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H54 O2 Pt Sn2 -","- C26 H54 O2 Pt Sn2 -","- C104 H216 O8 Pt4 Sn8 -","4","0.5","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0521","0.0455","","","0.1165","0.1198","","","","","","1.199","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123219","18.425","0.005","27.789","0.007","26.139","0.007","90","","90","","90","","13383","6","103","2","103","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C154 H158 Cl3 N10 Ni2 -","- C154 H158 Cl3 N10 Ni2 -","- C616 H632 Cl12 N40 Ni8 -","4","0.5","","Ito, Satoru; Hiroto, Satoru; Lee, Sangsu; Son, Minjung; Hisaki, Ichiro; Yoshida, Takuya; Kim, Dongho; Kobayashi, Nagao; Shinokubo, Hiroshi","Synthesis of Highly Twisted and Fully π-Conjugated Porphyrinic Oligomers.","Journal of the American Chemical Society","2015","137","1","142","145","10.1021/ja511905f","","","0.71075","MoKα","","0.0645","0.0572","","","0.1465","0.1566","","","","","","1.07","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123220","21.2281","0.0007","30.8431","0.0008","60.989","0.002","92.043","0.001","97.37","0.001","97.475","0.003","39210","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C224 H196 N22 Ni4 -","- C224 H196 N22 Ni4 -","- C1344 H1176 N132 Ni24 -","6","3","","Ito, Satoru; Hiroto, Satoru; Lee, Sangsu; Son, Minjung; Hisaki, Ichiro; Yoshida, Takuya; Kim, Dongho; Kobayashi, Nagao; Shinokubo, Hiroshi","Synthesis of Highly Twisted and Fully π-Conjugated Porphyrinic Oligomers.","Journal of the American Chemical Society","2015","137","1","142","145","10.1021/ja511905f","","","0.8","","","0.248","0.0883","","","0.2149","0.2644","","","","","","0.639","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4123221","17.296","0.004","22.701","0.005","35.704","0.007","90","","97.121","0.002","90","","13911","5","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60.57 H50 Cl18.28 N5 Ni -","- C60.57 H50 Cl18.28 N5 Ni -","- C484.56 H400 Cl146.24 N40 Ni8 -","8","1","","Ito, Satoru; Hiroto, Satoru; Lee, Sangsu; Son, Minjung; Hisaki, Ichiro; Yoshida, Takuya; Kim, Dongho; Kobayashi, Nagao; Shinokubo, Hiroshi","Synthesis of Highly Twisted and Fully π-Conjugated Porphyrinic Oligomers.","Journal of the American Chemical Society","2015","137","1","142","145","10.1021/ja511905f","","","0.71075","MoKα","","0.0915","0.0797","","","0.2311","0.2521","","","","","","1.077","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123222","28.301","0.007","13.754","0.003","29.505","0.008","90","","118.384","0.003","90","","10104","4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C124 H114 Cl2 N8 Ni2 -","- C124 H114 Cl2 N8 Ni2 -","- C496 H456 Cl8 N32 Ni8 -","4","1","","Ito, Satoru; Hiroto, Satoru; Lee, Sangsu; Son, Minjung; Hisaki, Ichiro; Yoshida, Takuya; Kim, Dongho; Kobayashi, Nagao; Shinokubo, Hiroshi","Synthesis of Highly Twisted and Fully π-Conjugated Porphyrinic Oligomers.","Journal of the American Chemical Society","2015","137","1","142","145","10.1021/ja511905f","","","0.71075","MoKα","","0.0699","0.0597","","","0.1402","0.1522","","","","","","1.076","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123223","21.617","0.004","20.506","0.004","17.509","0.003","90","","106.928","0.003","90","","7425","2","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87 H81 Fe2 Ni2 O P4 S4 -","- C87 H81 Fe2 Ni2 O P4 S4 -","- C348 H324 Fe8 Ni8 O4 P16 S16 -","4","1","","Gan, Lu; Groy, Thomas L.; Tarakeshwar, Pilarisetty; Mazinani, Shobeir K. S.; Shearer, Jason; Mujica, Vladimiro; Jones, Anne K.","A nickel phosphine complex as a fast and efficient hydrogen production catalyst.","Journal of the American Chemical Society","2015","137","3","1109","1115","10.1021/ja509779q","","","0.71073","MoKα","","0.0857","0.0472","","","0.0896","0.1046","","","","","","1.002","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123224","11.082","0.006","17.774","0.009","19.16","0.01","90","","93.361","0.006","90","","3767","3","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4","","","- C30 H58 N3 O Si4 Y -","- C30 H58 N3 O Si4 Y -","- C120 H232 N12 O4 Si16 Y4 -","4","1","","Nagae, Haruki; Shibata, Yu; Tsurugi, Hayato; Mashima, Kazushi","Aminomethylation Reaction of ortho-Pyridyl C-H Bonds Catalyzed by Group 3 Metal Triamido Complexes.","Journal of the American Chemical Society","2015","137","2","640","643","10.1021/ja511964k","","","0.71075","MoKα","","0.0534","0.0394","","","0.0873","0.0941","","","","","","1.061","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123225","30.617","0.008","17.608","0.005","21.674","0.006","90","","100.565","0.003","90","","11486","5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5","","","- C31 H54 N4 Si4 Y -","- C31 H54 N4 Si4 Y -","- C372 H648 N48 Si48 Y12 -","12","3","","Nagae, Haruki; Shibata, Yu; Tsurugi, Hayato; Mashima, Kazushi","Aminomethylation Reaction of ortho-Pyridyl C-H Bonds Catalyzed by Group 3 Metal Triamido Complexes.","Journal of the American Chemical Society","2015","137","2","640","643","10.1021/ja511964k","","","0.71075","MoKα","","0.1331","0.0767","","","0.1225","0.1451","","","","","","1.098","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123226","25.749","0.013","12.001","0.006","27.085","0.014","90","","90","","90","","8370","7","113","2","113","2","","","","","","","","5","P c a 21","P 2c -2ac","29","6","","","- C36 H58 N5 Si4 Y -","- C36 H58 N5 Si4 Y -","- C288 H464 N40 Si32 Y8 -","8","2","","Nagae, Haruki; Shibata, Yu; Tsurugi, Hayato; Mashima, Kazushi","Aminomethylation Reaction of ortho-Pyridyl C-H Bonds Catalyzed by Group 3 Metal Triamido Complexes.","Journal of the American Chemical Society","2015","137","2","640","643","10.1021/ja511964k","","","0.71075","MoKα","","0.0789","0.0554","","","0.1027","0.1159","","","","","","1.04","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123227","18.9377","0.0013","18.9377","0.0013","8.0529","0.0004","90","","90","","120","","2501.1","0.3","293","2","293","2","500000","","500000","","","","","3","P 63","P 6c","173","AlPO4-54.xH2O","","","- Al18 O111 P18 -","- Al18 O108 P18 -","- Al18 O108 P18 -","1","0.166667","","Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien","Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure.","Journal of the American Chemical Society","2015","137","2","584","587","10.1021/ja511153n","","","0.5","synchrotron","","0.1429","0.0655","","","0.1311","0.1554","","","","","","0.814","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123228","18.7342","0.0009","18.7342","0.0009","7.8979","0.0003","90","","90","","120","","2400.56","0.19","293","2","293","2","1200000","","1200000","","","","","3","P 63","P 6c","173","AlPO4-54.xH2O","","","- Al18 O111 P18 -","- Al18 O108 P18 -","- Al18 O108 P18 -","1","0.166667","","Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien","Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure.","Journal of the American Chemical Society","2015","137","2","584","587","10.1021/ja511153n","","","0.5","synchrotron","","0.1071","0.0647","","","0.1482","0.1854","","","","","","0.976","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123229","18.822","0.002","18.822","0.002","7.9759","0.0006","90","","90","","120","","2447","0.4","293","2","293","2","700000","","700000","","","","","3","P 63","P 6c","173","AlPO4-54.xH2O","","","- Al18 O111 P18 -","- Al18 O108 P18 -","- Al18 O108 P18 -","1","0.166667","","Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien","Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure.","Journal of the American Chemical Society","2015","137","2","584","587","10.1021/ja511153n","","","0.5","synchrotron","","0.1186","0.0813","","","0.1876","0.2022","","","","","","0.99","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123230","18.956","0.002","18.956","0.002","8.086","0.0008","90","","90","","120","","2516.3","0.5","293","2","293","2","200000","","200000","","","","","3","P 63","P 6c","173","AlPO4-54.xH2O","","","- Al18 O111 P18 -","- Al18 O108 P18 -","- Al18 O108 P18 -","1","0.166667","","Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien","Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure.","Journal of the American Chemical Society","2015","137","2","584","587","10.1021/ja511153n","","","0.5","synchrotron","","0.1828","0.0622","","","0.1338","0.1663","","","","","","0.746","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123231","18.8821","0.0013","18.8821","0.0013","8.0281","0.0004","90","","90","","120","","2478.8","0.3","293","2","293","2","400000","","400000","","","","","3","P 63","P 6c","173","AlPO4-54.xH2O","","","- Al18 O111 P18 -","- Al18 O108 P18 -","- Al18 O108 P18 -","1","0.166667","","Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien","Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure.","Journal of the American Chemical Society","2015","137","2","584","587","10.1021/ja511153n","","","0.5","synchrotron","","0.1127","0.0767","","","0.1819","0.1982","","","","","","0.961","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123232","34.3584","0.0013","8.5376","0.0003","22.8054","0.0009","90","","99.322","0.004","90","","6601.3","0.4","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 B F11 N8 P Rh -","- C28 H32 B F11 N8 P Rh -","- C224 H256 B8 F88 N64 P8 Rh8 -","8","1","","Procacci, Barbara; Jiao, Yunzhe; Evans, Meagan E.; Jones, William D.; Perutz, Robin N.; Whitwood, Adrian C.","Activation of B-H, Si-H, and C-F Bonds with Tp'Rh(PMe3) Complexes: Kinetics, Mechanism, and Selectivity.","Journal of the American Chemical Society","2015","137","3","1258","1272","10.1021/ja5113172","","","0.71073","MoKα","","0.0458","0.0356","","","0.0785","0.083","","","","","","1.039","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123233","25.9662","0.0012","10.66","0.002","21.452","0.0005","90","","101.455","0.003","90","","5819.6","1.1","110","","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 B2 N6 O2 P Rh -","- C24 H44 B2 N6 O2 P Rh -","- C192 H352 B16 N48 O16 P8 Rh8 -","8","1","","Procacci, Barbara; Jiao, Yunzhe; Evans, Meagan E.; Jones, William D.; Perutz, Robin N.; Whitwood, Adrian C.","Activation of B-H, Si-H, and C-F Bonds with Tp'Rh(PMe3) Complexes: Kinetics, Mechanism, and Selectivity.","Journal of the American Chemical Society","2015","137","3","1258","1272","10.1021/ja5113172","","","0.71073","MoKα","","0.0384","0.0307","","","0.066","0.0699","","","","","","1.049","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123234","10.8404","0.0007","11.5332","0.0009","13.5457","0.0011","65.602","0.008","72.784","0.007","65.226","0.007","1384.8","0.2","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H43 B N6 P Rh Si -","- C22 H43 B N6 P Rh Si -","- C44 H86 B2 N12 P2 Rh2 Si2 -","2","1","","Procacci, Barbara; Jiao, Yunzhe; Evans, Meagan E.; Jones, William D.; Perutz, Robin N.; Whitwood, Adrian C.","Activation of B-H, Si-H, and C-F Bonds with Tp'Rh(PMe3) Complexes: Kinetics, Mechanism, and Selectivity.","Journal of the American Chemical Society","2015","137","3","1258","1272","10.1021/ja5113172","","","0.7107","MoKα","","0.0414","0.0329","","","0.0684","0.0736","","","","","","1.061","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123235","24.358","0.003","8.0579","0.0009","11.2629","0.0013","90","","100.201","0.003","90","","2175.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N O4 S -","- C24 H27 N O4 S -","- C96 H108 N4 O16 S4 -","4","1","","Liao, Jia-Yu; Shao, Pan-Lin; Zhao, Yu","Catalytic Divergent Synthesis of 3H or 1H Pyrroles by [3 + 2] Cyclization of Allenoates with Activated Isocyanides.","Journal of the American Chemical Society","2015","137","2","628","631","10.1021/ja511895q","","","0.71073","MoKα","","0.0772","0.0581","","","0.1484","0.1615","","","","","","0.99","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123236","9.2073","0.0005","8.4035","0.0004","12.6305","0.0007","90","","90.524","0.002","90","","977.23","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C46 H46 N2 O8 -","2","1","","Liao, Jia-Yu; Shao, Pan-Lin; Zhao, Yu","Catalytic Divergent Synthesis of 3H or 1H Pyrroles by [3 + 2] Cyclization of Allenoates with Activated Isocyanides.","Journal of the American Chemical Society","2015","137","2","628","631","10.1021/ja511895q","","","1.54178","CuKα","","0.0518","0.0516","","","0.1349","0.1352","","","","","","1.074","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123237","20.323","0.0003","20.323","0.0003","31.8618","0.0009","90","","90","","120","","11396.6","0.4","173","2","173","2","","","","","","","","9","R 3 :H","R 3","146","","","","- C147 H114 Au19 Cl6 F12 N3 O0 P6 Sb2 -","- C147 H114 Au19 Cl6 F6 N3 P6 Sb -","- C441 H342 Au57 Cl18 F18 N9 P18 Sb3 -","3","0.333333","","Wan, Xian-Kai; Tang, Qing; Yuan, Shang-Fu; Jiang, De-En; Wang, Quan-Ming","Au19 nanocluster featuring a v-shaped alkynyl-gold motif.","Journal of the American Chemical Society","2015","137","2","652","655","10.1021/ja512133a","","","0.71073","MoKα","","0.0384","0.0352","","","0.0896","0.0924","","","","","","1.064","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123238","12.8259","0.0003","13.0175","0.0003","19.8317","0.0004","93.0486","0.0019","90.1923","0.0018","96.187","0.002","3287.04","0.13","150","","150","","","","101","","","","SYN","6","P -1","-P 1","2","","","","- C65 H68 B F24 P2 Rh -","- C65 H68 B F24 P2 Rh -","- C130 H136 B2 F48 P4 Rh2 -","2","1","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","1.5418","CuKα","","0.0815","0.0792","","0.2403","0.2399","0.2403","","","","","","1.0761","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123239","19.0415","0.0001","17.9747","0.0002","19.5602","0.0001","90","","91.7586","0.0006","90","","6691.62","0.09","150","","150","","","","101","","","","SYN","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H72 B F24 P2 Rh -","- C65 H72 B F24 P2 Rh -","- C260 H288 B4 F96 P8 Rh4 -","4","1","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","1.5418","CuKα","","0.046","0.0415","","0.1106","0.1017","0.1102","","","","","","0.9","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123240","18.2898","0.0002","13.0378","0.0001","26.3494","0.0002","90","","107.068","0.0009","90","","6006.52","0.1","150","","150","","","","101","","","","SYN","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60 B F24 P2 Rh -","- C58 H60 B F24 P2 Rh -","- C232 H240 B4 F96 P8 Rh4 -","4","1","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","1.5418","CuKα","","0.0374","0.0329","","0.079","0.0744","0.0789","","","","","","0.9165","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123241","36.6257","0.0004","12.8599","0.0001","24.181","0.0003","90","","100.088","0.0005","90","","11213.2","0.2","150","","150","","","","","","","","S10 Lab","6","C 1 2/c 1","-C 2yc","15","","[Rh(dippe)NBD][BArF4]","","- C53 H52 B F24 P2 Rh -","- C53 H52 B F24 P2 Rh -","- C424 H416 B8 F192 P16 Rh8 -","8","1","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","0.71073","MoKα","","0.0717","0.0465","","0.1099","0.1003","0.1099","","","","","","0.9358","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123242","12.6227","0.0002","14.0591","0.0002","16.1221","0.0003","67.8471","0.0008","72.893","0.0007","68.3387","0.0008","2422.52","0.07","150","","150","","","","","","","","S10, CRL, Uni Oxford","6","P -1","-P 1","2","","Rh(dippe)(h6-BArF4)","","- C46 H44 B F24 P2 Rh -","- C46 H44 B F24 P2 Rh -","- C92 H88 B2 F48 P4 Rh2 -","2","1","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","0.71073","MoKα","","0.0609","0.04","","0.0864","0.0794","0.0864","","","","","","0.9848","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123243","17.8334","0.0005","17.5483","0.0004","55.0406","0.0015","90","","90.957","0.002","90","","17222.3","0.8","150","","150","","","","","","","","S10, CRL, Uni Oxford","6","C 1 2/c 1","-C 2yc","15","","[Rh(dippp)NBD][BArF4]","","- C54 H54 B F24 P2 Rh -","- C54 H54 B F24 P2 Rh -","- C648 H648 B12 F288 P24 Rh12 -","12","1.5","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","1.5418","CuKα","","0.1346","0.1033","","0.2996","0.2789","0.2993","","","","","","0.9834","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123244","12.9936","0.0004","13.0852","0.0004","16.0745","0.0005","109.669","0.003","96.825","0.003","91.997","0.002","2547.14","0.15","150","","150","","","","","","","","S10, CRL, Uni Oxford","6","P -1","-P 1","2","","Rh(dippp)(h6-BArF4)","","- C47 H46 B F24 P2 Rh -","- C47 H46 B F24 P2 Rh -","- C94 H92 B2 F48 P4 Rh2 -","2","1","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","1.5418","CuKα","","0.046","0.0439","","0.1174","0.1137","0.1174","","","","","","0.9599","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123245","12.9021","0.0001","12.9021","0.0001","67.9669","0.001","90","","90","","90","","11314.1","0.2","150","","150","","","","","","","","S10, CRL, Uni Oxford","7","P 41 21 2","P 4abw 2nw","92","","[Rh(dippp)DCE][BArF4]","","- C49 H50 B Cl2 F24 P2 Rh -","- C49 H50 B Cl2 F23.9997 P2 Rh -","- C392 H400 B8 Cl16 F191.998 P16 Rh8 -","8","1","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","1.5418","CuKα","","0.1317","0.1153","","0.2697","0.26","0.2697","","","","","","1.1427","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123246","12.9279","0.0003","20.8343","0.0004","21.8302","0.0005","88.0127","0.001","86.0539","0.001","73.0587","0.001","5610.7","0.2","150","","150","","","","","","","","S10, CRL, Uni Oxford","7","P -1","-P 1","2","","Rh(dipope)(h6-BArF4)","","- C48.5 H50 B F24 O4 P2 Rh -","- C48.5 H50 B F24 O4 P2 Rh -","- C194 H200 B4 F96 O16 P8 Rh4 -","4","2","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","0.71073","MoKα","","0.1026","0.0618","","0.1432","0.1255","0.1432","","","","","","0.9544","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123247","6.94","0.0005","32.943","0.002","7.1977","0.0006","90","","92.225","0.002","90","","1644.3","0.2","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H20 N4 -","- C21 H20 N4 -","- C84 H80 N16 -","4","1","","Su, Chenliang; Tandiana, Rika; Balapanuru, Janardhan; Tang, Wei; Pareek, Kapil; Nai, Chang Tai; Hayashi, Tamio; Loh, Kian Ping","Tandem catalysis of amines using porous graphene oxide.","Journal of the American Chemical Society","2015","137","2","685","690","10.1021/ja512470t","","","0.71073","MoKα","","0.0295","0.029","","","0.0747","0.0752","","","","","","1.05","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123248","6.9378","0.0007","18.7153","0.0019","9.65","0.001","90","","107.286","0.002","90","","1196.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Su, Chenliang; Tandiana, Rika; Balapanuru, Janardhan; Tang, Wei; Pareek, Kapil; Nai, Chang Tai; Hayashi, Tamio; Loh, Kian Ping","Tandem catalysis of amines using porous graphene oxide.","Journal of the American Chemical Society","2015","137","2","685","690","10.1021/ja512470t","","","0.71073","MoKα","","0.0439","0.0413","","","0.1073","0.1095","","","","","","1.06","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123249","12.744","0.002","6.6351","0.0009","10.4218","0.0009","90","","90","","90","","881.2","0.2","180","2","180","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H15 N O -","- C10 H15 N O -","- C40 H60 N4 O4 -","4","0.5","","Komarov, Igor V.; Yanik, Stanislav; Ishchenko, Aleksandr Yu; Davies, John E.; Goodman, Jonathan M.; Kirby, Anthony J.","The Most Reactive Amide As a Transition-State Mimic For cis-trans Interconversion.","Journal of the American Chemical Society","2015","137","2","926","930","10.1021/ja511460a","","","0.71073","MoKα","","0.0692","0.0426","","","0.0994","0.1114","","","","","","1.021","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123250","7.5632","0.0004","6.7319","0.0003","20.566","0.002","90","","96.578","0.003","90","","1040.22","0.12","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 B F4 N O -","- C9 H14 B F4 N O -","- C36 H56 B4 F16 N4 O4 -","4","1","","Komarov, Igor V.; Yanik, Stanislav; Ishchenko, Aleksandr Yu; Davies, John E.; Goodman, Jonathan M.; Kirby, Anthony J.","The Most Reactive Amide As a Transition-State Mimic For cis-trans Interconversion.","Journal of the American Chemical Society","2015","137","2","926","930","10.1021/ja511460a","","","1.54184","CuKα","","0.0465","0.0458","","","0.1234","0.1239","","","","","","1.183","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123251","20.0854","0.0014","20.0854","0.0014","8.3655","0.0006","90","","90","","90","","3374.8","0.4","173","2","173","2","","","","","","","","5","P -4","P -4","81","LCuTHF","","","- C35 H45 Cu N3 O3 -","- C35 H45 Cu N3 O3 -","- C140 H180 Cu4 N12 O12 -","4","1","","Dhar, Debanjan; Tolman, William B.","Hydrogen Atom Abstraction from Hydrocarbons by a Copper(III)-Hydroxide Complex.","Journal of the American Chemical Society","2015","137","3","1322","1329","10.1021/ja512014z","","","1.54178","CuKα","","0.1666","0.1053","","","0.2363","0.2759","","","","","","1.022","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123252","14.428","0.009","14.478","0.009","17.101","0.011","90","","90","","90","","3572","4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C184 H160 N16 O16 -","8","1","","Zeng, Rong; Dong, Guangbin","Rh-Catalyzed Decarbonylative Coupling with Alkynes via C-C Activation of Isatins.","Journal of the American Chemical Society","2015","137","4","1408","1411","10.1021/ja512306a","","","0.71073","MoKα","","0.0755","0.0554","","","0.1101","0.1189","","","","","","1.068","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123253","13.9808","0.0005","14.997","0.0005","17.3046","0.0006","90","","90","","90","","3628.3","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C184 H160 N16 O8 -","8","1","","Zeng, Rong; Dong, Guangbin","Rh-Catalyzed Decarbonylative Coupling with Alkynes via C-C Activation of Isatins.","Journal of the American Chemical Society","2015","137","4","1408","1411","10.1021/ja512306a","","","0.71073","MoKα","","0.0974","0.0641","","","0.1501","0.1628","","","","","","1.178","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123254","8.7932","0.0019","14.204","0.003","15.309","0.003","90","","94.193","0.005","90","","1907","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C96 H80 N8 O12 -","4","1","","Zeng, Rong; Dong, Guangbin","Rh-Catalyzed Decarbonylative Coupling with Alkynes via C-C Activation of Isatins.","Journal of the American Chemical Society","2015","137","4","1408","1411","10.1021/ja512306a","","","0.71073","MoKα","","0.08","0.0531","","","0.112","0.1246","","","","","","1.064","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123255","8.115","0.002","10.156","0.003","13.49","0.004","93.432","0.003","98.034","0.004","102.618","0.005","1069.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 Cl3 N3 O2 Rh -","- C21 H19 Cl3 N3 O2 Rh -","- C42 H38 Cl6 N6 O4 Rh2 -","2","1","","Zeng, Rong; Dong, Guangbin","Rh-Catalyzed Decarbonylative Coupling with Alkynes via C-C Activation of Isatins.","Journal of the American Chemical Society","2015","137","4","1408","1411","10.1021/ja512306a","","","0.71073","MoKα","","0.0353","0.0297","","","0.0683","0.0709","","","","","","1.041","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123256","13.8557","0.0017","15.1778","0.0019","16.237","0.002","102.734","0.005","115.096","0.004","95.621","0.007","2944.5","0.7","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 N4 O56 P12 Zn6 -","- C16 H14 N4 O56 P12 Zn6 -","- C32 H28 N8 O112 P24 Zn12 -","2","1","","Umeyama, Daiki; Horike, Satoshi; Inukai, Munehiro; Itakura, Tomoya; Kitagawa, Susumu","Reversible Solid-to-Liquid Phase Transition of Coordination Polymer Crystals.","Journal of the American Chemical Society","2015","137","2","864","870","10.1021/ja511019u","","","0.71075","MoKα","","0.0641","0.0455","","","0.1412","0.1524","","","","","","0.827","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123257","6.0522","0.0011","9.8966","0.0018","11.401","0.002","94.862","0.004","93.274","0.004","100.155","0.004","668","0.2","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 N O P -","- C12 H24 N O P -","- C24 H48 N2 O2 P2 -","2","1","","Zhao, Wei; Yan, Patrick K.; Radosevich, Alexander T.","A Phosphetane Catalyzes Deoxygenative Condensation of α-Keto Esters and Carboxylic Acids via P(III)/P(V)═O Redox Cycling.","Journal of the American Chemical Society","2015","137","2","616","619","10.1021/ja511889y","","","0.71073","MoKα","","0.0541","0.0507","","","0.1383","0.1421","","","","","","1.045","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123258","7.7635","0.0011","6.8938","0.0009","19.576","0.003","90","","101.058","0.002","90","","1028.3","0.3","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 Cl O P -","- C8 H16 Cl O P -","- C32 H64 Cl4 O4 P4 -","4","1","","Zhao, Wei; Yan, Patrick K.; Radosevich, Alexander T.","A Phosphetane Catalyzes Deoxygenative Condensation of α-Keto Esters and Carboxylic Acids via P(III)/P(V)═O Redox Cycling.","Journal of the American Chemical Society","2015","137","2","616","619","10.1021/ja511889y","","","0.71073","MoKα","","0.0393","0.0346","","","0.0941","0.098","","","","","","0.913","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123259","8.579","0.004","11.477","0.005","20.244","0.008","90","","93.167","0.006","90","","1990.2","1.5","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N2 O2 Si2 -","- C18 H26 N2 O2 Si2 -","- C72 H104 N8 O8 Si8 -","4","1","","Shimada, Masaki; Yamanoi, Yoshinori; Matsushita, Tomonori; Kondo, Takashi; Nishibori, Eiji; Hatakeyama, Akari; Sugimoto, Kunihisa; Nishihara, Hiroshi","Optical properties of disilane-bridged donor-acceptor architectures: strong effect of substituents on fluorescence and nonlinear optical properties.","Journal of the American Chemical Society","2015","137","3","1024","1027","10.1021/ja511177e","","","0.7107","MoKα","","","0.064","","","","0.1596","","","","","","1.108","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123260","7.2051","0.0003","23.8974","0.0013","11.7957","0.0007","90","","92.966","0.007","90","","2028.3","0.18","150","2","150","2","","","","","","","","4","P 1 a 1","P -2ya","7","","","","- C38 H52 N4 Si4 -","- C38 H52 N4 Si4 -","- C76 H104 N8 Si8 -","2","1","","Shimada, Masaki; Yamanoi, Yoshinori; Matsushita, Tomonori; Kondo, Takashi; Nishibori, Eiji; Hatakeyama, Akari; Sugimoto, Kunihisa; Nishihara, Hiroshi","Optical properties of disilane-bridged donor-acceptor architectures: strong effect of substituents on fluorescence and nonlinear optical properties.","Journal of the American Chemical Society","2015","137","3","1024","1027","10.1021/ja511177e","","","0.4131","","","0.1677","0.0344","","","0.0708","0.185","","","","","","0.549","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123261","27.281","0.005","5.8289","0.0012","25.615","0.005","90","","97.56","0.03","90","","4037.8","1.4","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 -","- C31 H20 -","- C248 H160 -","8","2","","Pati, Kamalkishore; Dos Passos Gomes, Gabriel; Harris, Trevor; Hughes, Audrey; Phan, Hoa; Banerjee, Tanmay; Hanson, Kenneth; Alabugin, Igor V.","Traceless Directing Groups in Radical Cascades: From Oligoalkynes to Fused Helicenes without Tethered Initiators.","Journal of the American Chemical Society","2015","137","3","1165","1180","10.1021/ja510563d","","","0.71073","MoKα","","0.1127","0.0873","","","0.2163","0.2288","","","","","","1.131","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123262","10.4301","0.0014","6.0297","0.0008","12.7142","0.0017","90","","108.918","0.001","90","","756.41","0.18","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C23 H16 -","- C23 H16 -","- C46 H32 -","2","1","","Pati, Kamalkishore; Dos Passos Gomes, Gabriel; Harris, Trevor; Hughes, Audrey; Phan, Hoa; Banerjee, Tanmay; Hanson, Kenneth; Alabugin, Igor V.","Traceless Directing Groups in Radical Cascades: From Oligoalkynes to Fused Helicenes without Tethered Initiators.","Journal of the American Chemical Society","2015","137","3","1165","1180","10.1021/ja510563d","","","0.71073","MoKα","","0.0413","0.0399","","","0.106","0.1075","","","","","","1.056","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123263","9.4418","0.0011","14.1745","0.0017","15.4015","0.0018","73.98","0.002","78.801","0.002","80.315","0.002","1929","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24.75 H18.5 Cl1.5 O -","- C24.75 H18.5 Cl1.5 O -","- C99 H74 Cl6 O4 -","4","2","","Pati, Kamalkishore; Dos Passos Gomes, Gabriel; Harris, Trevor; Hughes, Audrey; Phan, Hoa; Banerjee, Tanmay; Hanson, Kenneth; Alabugin, Igor V.","Traceless Directing Groups in Radical Cascades: From Oligoalkynes to Fused Helicenes without Tethered Initiators.","Journal of the American Chemical Society","2015","137","3","1165","1180","10.1021/ja510563d","","","0.71073","MoKα","","0.1199","0.0684","","","0.1671","0.191","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123264","10.2472","0.0009","10.9518","0.001","15.1137","0.0013","106.828","0.001","97.975","0.001","110.009","0.001","1471.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H41 F Sn -","- C35 H41 F Sn -","- C70 H82 F2 Sn2 -","2","1","","Pati, Kamalkishore; Dos Passos Gomes, Gabriel; Harris, Trevor; Hughes, Audrey; Phan, Hoa; Banerjee, Tanmay; Hanson, Kenneth; Alabugin, Igor V.","Traceless Directing Groups in Radical Cascades: From Oligoalkynes to Fused Helicenes without Tethered Initiators.","Journal of the American Chemical Society","2015","137","3","1165","1180","10.1021/ja510563d","","","0.71073","MoKα","","0.0209","0.0202","","","0.0527","0.0532","","","","","","1.047","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123265","7.344","0.003","23.638","0.01","16.023","0.007","90","","100.216","0.008","90","","2737","2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 B N3 O3 -","- C36 H28 B N3 O3 -","- C144 H112 B4 N12 O12 -","4","1","","Tsurumaki, Eiji; Sung, Jooyoung; Kim, Dongho; Osuka, Atsuhiro","Subporphyrinato Boron(III) Hydrides.","Journal of the American Chemical Society","2015","137","3","1056","1059","10.1021/ja5126269","","","1.54187","CuKα","","0.0683","0.0551","","","0.1485","0.1667","","","","","","1.022","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123266","10.0454","0.0019","12.488","0.003","15.612","0.002","71.341","0.014","74.45","0.03","83.5","0.03","1786.8","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44 B N3 O -","- C48 H44 B N3 O -","- C96 H88 B2 N6 O2 -","2","1","","Tsurumaki, Eiji; Sung, Jooyoung; Kim, Dongho; Osuka, Atsuhiro","Subporphyrinato Boron(III) Hydrides.","Journal of the American Chemical Society","2015","137","3","1056","1059","10.1021/ja5126269","","","1.54187","CuKα","","0.051","0.0486","","","0.1292","0.1314","","","","","","1.007","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123267","32.25","0.012","7.178","0.004","23.146","0.008","90","","94.88","0.011","90","","5339","4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H19 B Br3 N3 -","- C33 H19 B Br3 N3 -","- C264 H152 B8 Br24 N24 -","8","1","","Tsurumaki, Eiji; Sung, Jooyoung; Kim, Dongho; Osuka, Atsuhiro","Subporphyrinato Boron(III) Hydrides.","Journal of the American Chemical Society","2015","137","3","1056","1059","10.1021/ja5126269","","","1.54187","CuKα","","0.062","0.0579","","","0.1359","0.1381","","","","","","0.997","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123268","9.698","0.002","25.028","0.007","21.752","0.005","90","","98.422","0.005","90","","5223","2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H23 B Cl N3 -","- C33.5 H23 B Cl N3 -","- C268 H184 B8 Cl8 N24 -","8","2","","Tsurumaki, Eiji; Sung, Jooyoung; Kim, Dongho; Osuka, Atsuhiro","Subporphyrinato Boron(III) Hydrides.","Journal of the American Chemical Society","2015","137","3","1056","1059","10.1021/ja5126269","","","1.54187","CuKα","","0.0642","0.0536","","","0.1354","0.1477","","","","","","1.044","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123269","9.667","0.003","25.121","0.008","21.748","0.007","90","","98.248","0.01","90","","5227","3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H22 B Cl F N3 -","- C33.5 H22 B Cl F N3 -","- C268 H176 B8 Cl8 F8 N24 -","8","2","","Tsurumaki, Eiji; Sung, Jooyoung; Kim, Dongho; Osuka, Atsuhiro","Subporphyrinato Boron(III) Hydrides.","Journal of the American Chemical Society","2015","137","3","1056","1059","10.1021/ja5126269","","","1.54187","CuKα","","0.0892","0.0646","","","0.1609","0.1895","","","","","","1.039","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123270","17.1956","0.0006","9.3276","0.0004","20.0103","0.0008","90","","90.755","0.003","90","","3209.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 O Si -","- C40 H38 O Si -","- C160 H152 O4 Si4 -","4","1","","Chernick, Erin T.; Casillas, Rubén; Zirzlmeier, Johannes; Gardner, Daniel M.; Gruber, Marco; Kropp, Henning; Meyer, Karsten; Wasielewski, Michael R.; Guldi, Dirk M.; Tykwinski, Rik R.","Pentacene Appended to a TEMPO Stable Free Radical: The Effect of Magnetic Exchange Coupling on Photoexcited Pentacene.","Journal of the American Chemical Society","2015","137","2","857","863","10.1021/ja510958k","","","1.54184","CuKα","","0.0735","0.0578","","","0.149","0.1636","","","","","","1.029","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123271","20.8238","0.0005","9.89673","0.00015","24.1698","0.0006","90","","112.597","0.003","90","","4598.7","0.2","173","0.14","173","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H55 N2 O Si -","- C49 H55 N2 O Si -","- C196 H220 N8 O4 Si4 -","4","1","","Chernick, Erin T.; Casillas, Rubén; Zirzlmeier, Johannes; Gardner, Daniel M.; Gruber, Marco; Kropp, Henning; Meyer, Karsten; Wasielewski, Michael R.; Guldi, Dirk M.; Tykwinski, Rik R.","Pentacene Appended to a TEMPO Stable Free Radical: The Effect of Magnetic Exchange Coupling on Photoexcited Pentacene.","Journal of the American Chemical Society","2015","137","2","857","863","10.1021/ja510958k","","","1.5418","CuKα","","0.0747","0.0621","","","0.1888","0.203","","","","","","1.052","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123272","5.1791","0.0005","5.7043","0.0006","6.8911","0.0007","108.669","0.003","109.922","0.002","90.332","0.003","179.82","0.03","83","2","83","2","","","","","","","","3","P -1","-P 1","2","","","","- F3 Nb2 O2 -","- F3 Nb2 O2 -","- F6 Nb4 O4 -","2","1","","Tran, T. Thao; Gooch, Melissa; Lorenz, Bernd; Litvinchuk, Alexander P.; Sorolla, 2nd, Maurice G; Brgoch, Jakoah; Chu, Paul C. W.; Guloy, Arnold M.","Nb2O2F3: A Reduced Niobium (III/IV) Oxyfluoride with a Complex Structural, Magnetic, and Electronic Phase Transition.","Journal of the American Chemical Society","2015","137","2","636","639","10.1021/ja511745q","","","0.71073","MoKα","","0.037","0.0367","","","0.1097","0.11","","","","","","1.201","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123273","5.7048","0.0001","5.161","0.0001","12.2285","0.0002","90","","95.751","0.001","90","","358.225","0.011","296","2","296","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- F3 Nb2 O2 -","- F3 Nb2 O2 -","- F12 Nb8 O8 -","4","0.5","","Tran, T. Thao; Gooch, Melissa; Lorenz, Bernd; Litvinchuk, Alexander P.; Sorolla, 2nd, Maurice G; Brgoch, Jakoah; Chu, Paul C. W.; Guloy, Arnold M.","Nb2O2F3: A Reduced Niobium (III/IV) Oxyfluoride with a Complex Structural, Magnetic, and Electronic Phase Transition.","Journal of the American Chemical Society","2015","137","2","636","639","10.1021/ja511745q","","","0.71073","MoKα","","0.0128","0.0121","","","0.034","0.0343","","","","","","1.24","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123274","13.372","0.002","4.1277","0.0004","15.072","0.002","90","","115.046","0.011","90","","753.68","0.18","400","2","400","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Iron Bismuth Selenide (1/2/4)","","- Bi4 Fe2 Se8 -","- Bi4.0002 Fe1.9998 Se8 -","- Bi8.0004 Fe3.9996 Se16 -","2","0.25","","Ranmohotti, Kulugammana G. S.; Djieutedjeu, Honore; Lopez, Juan; Page, Alexander; Haldolaarachchige, Neel; Chi, Hang; Sahoo, Pranati; Uher, Ctirad; Young, David; Poudeu, Pierre F. P.","Coexistence of High-Tc Ferromagnetism and n-Type Electrical Conductivity in FeBi2Se4.","Journal of the American Chemical Society","2015","137","2","691","698","10.1021/ja5084255","","","0.71073","MoKα","","0.0372","0.0372","","","0.0774","0.0774","","","","","","1.112","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123275","13.2972","0.0013","4.1037","0.0003","15.038","0.0014","90","","114.931","0.007","90","","744.12","0.12","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Iron Bismuth Selenide (1/2/4)","","- Bi4 Fe2 Se8 -","- Bi4 Fe2 Se8 -","- Bi8 Fe4 Se16 -","2","0.25","","Ranmohotti, Kulugammana G. S.; Djieutedjeu, Honore; Lopez, Juan; Page, Alexander; Haldolaarachchige, Neel; Chi, Hang; Sahoo, Pranati; Uher, Ctirad; Young, David; Poudeu, Pierre F. P.","Coexistence of High-Tc Ferromagnetism and n-Type Electrical Conductivity in FeBi2Se4.","Journal of the American Chemical Society","2015","137","2","691","698","10.1021/ja5084255","","","0.71073","MoKα","","0.0269","0.0268","","","0.0644","0.0644","","","","","","1.07","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123276","13.3533","0.0017","4.1171","0.0003","15.0687","0.0018","90","","115.037","0.009","90","","750.59","0.15","300","2","300","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Iron Bismuth Selenide (1/2/4)","","- Bi4 Fe2 Se8 -","- Bi3.9996 Fe2.0004 Se8 -","- Bi7.9992 Fe4.0008 Se16 -","2","0.25","","Ranmohotti, Kulugammana G. S.; Djieutedjeu, Honore; Lopez, Juan; Page, Alexander; Haldolaarachchige, Neel; Chi, Hang; Sahoo, Pranati; Uher, Ctirad; Young, David; Poudeu, Pierre F. P.","Coexistence of High-Tc Ferromagnetism and n-Type Electrical Conductivity in FeBi2Se4.","Journal of the American Chemical Society","2015","137","2","691","698","10.1021/ja5084255","","","0.71073","MoKα","","0.0382","0.0382","","","0.086","0.086","","","","","","1.061","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123277","8.33405","0.00008","11.10306","0.00009","27.9805","0.0003","90","","90","","90","","2589.13","0.04","99.9","0.2","99.9","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 N O3 S -","- C32 H29 N O3 S -","- C128 H116 N4 O12 S4 -","4","1","","Qian, Hui; Zhao, Wanxiang; Wang, Zhaobin; Sun, Jianwei","Organocatalytic enantio- and diastereoselective synthesis of 1,2-dihydronaphthalenes from isobenzopyrylium ions.","Journal of the American Chemical Society","2015","137","2","560","563","10.1021/ja509824j","","x-ray","1.5418","CuKα","","0.0246","0.024","","","0.0599","0.0604","","","","","","1.002","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123278","7.1317","0.0003","16.5484","0.0007","33.672","0.0014","90","","90","","90","","3973.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 O4.5 -","- C24 H31 O4.5 -","- C192 H248 O36 -","8","2","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","1.54174","CuKα","","0.0481","0.0429","","","0.1075","0.1109","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123279","9.5699","0.0006","6.8599","0.0004","14.411","0.0008","90","","101.48","0.003","90","","927.13","0.1","90","2","90","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H32 O7 -","- C21 H32 O7 -","- C42 H64 O14 -","2","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","1.54178","CuKα","","0.046","0.0451","","","0.1193","0.1203","","","","","","1.045","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123280","9.789","0.002","7.7354","0.0017","15.707","0.003","90","","107.521","0.003","90","","1134.2","0.4","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O7 -","- C25 H34 O7 -","- C50 H68 O14 -","2","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","0.71073","MoKα","","0.0506","0.0469","","","0.1148","0.1187","","","","","","1.125","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123281","9.284","","6.85","","14.331","","90","","100.67","","90","","895.628","","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O7 -","- C21 H28 O7 -","- C42 H56 O14 -","2","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","1.54184","CuKα","","0.0396","0.0366","","","0.0869","0.0887","","","","","","1.023","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123282","12.74","0.02","6.122","0.009","13.29","0.02","90","","92.06","0.02","90","","1036","3","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H32 O6 -","- C23 H32 O6 -","- C46 H64 O12 -","2","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","0.71073","MoKα","","0.0748","0.0693","","","0.1762","0.1835","","","","","","1.02","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123283","7.8008","0.0006","11.8602","0.0008","21.0411","0.0012","90","","90","","90","","1946.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 Cl F O5 -","- C22 H27 Cl F O5 -","- C88 H108 Cl4 F4 O20 -","4","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","0.71073","MoKα","","0.0474","0.0457","","","0.1258","0.1276","","","","","","1.084","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123284","8.8935","0.0007","10.0417","0.0008","36.708","0.003","90","","90","","90","","3278.2","0.5","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 O7 -","- C40 H48 O7 -","- C160 H192 O28 -","4","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","0.71073","MoKα","","0.0406","0.037","","","0.0913","0.0933","","","","","","1.048","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123285","5.8468","0.0002","9.0154","0.0003","29.9693","0.001","90","","90","","90","","1579.72","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","1.54178","CuKα","","0.0312","0.0289","","","0.0689","0.0705","","","","","","1.039","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123286","11.65611","0.00012","13.084","0.00014","32.0786","0.0003","90","","90","","90","","4892.26","0.09","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 Cl Ir O2 P2 -","- C58 H54 Cl Ir O2 P2 -","- C232 H216 Cl4 Ir4 O8 P8 -","4","1","","Olsen, Esben P. K.; Singh, Thishana; Harris, Pernille; Andersson, Pher G.; Madsen, Robert","Experimental and theoretical mechanistic investigation of the iridium-catalyzed dehydrogenative decarbonylation of primary alcohols.","Journal of the American Chemical Society","2015","137","2","834","842","10.1021/ja5106943","","","1.54184","CuKα","","0.0352","0.0326","","","0.0802","0.0827","","","","","","1.062","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123287","8.09492","0.00015","16.2329","0.0004","16.8117","0.0003","90","","90","","90","","2209.13","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Cl Ir P -","- C26 H27 Cl Ir P -","- C104 H108 Cl4 Ir4 P4 -","4","1","","Olsen, Esben P. K.; Singh, Thishana; Harris, Pernille; Andersson, Pher G.; Madsen, Robert","Experimental and theoretical mechanistic investigation of the iridium-catalyzed dehydrogenative decarbonylation of primary alcohols.","Journal of the American Chemical Society","2015","137","2","834","842","10.1021/ja5106943","","","0.71073","MoKα","","0.0313","0.0288","","","0.0513","0.0527","","","","","","1.012","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123288","13.0362","0.0003","25.6332","0.0004","17.1736","0.0003","90","","90.335","0.002","90","","5738.62","0.19","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H56 Cl6 Ir2 O4 P4 -","- C58 H56 Cl6 Ir2 O4 P4 -","- C232 H224 Cl24 Ir8 O16 P16 -","4","1","","Olsen, Esben P. K.; Singh, Thishana; Harris, Pernille; Andersson, Pher G.; Madsen, Robert","Experimental and theoretical mechanistic investigation of the iridium-catalyzed dehydrogenative decarbonylation of primary alcohols.","Journal of the American Chemical Society","2015","137","2","834","842","10.1021/ja5106943","","","1.54184","CuKα","","0.0495","0.0435","","","0.1096","0.1152","","","","","","1.027","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123289","9.13579","0.00017","9.5659","0.0002","10.284","0.0002","72.9196","0.0019","89.0425","0.0017","69.5115","0.0018","801.03","0.03","120","","120","","","","","","","","","6","P 1","P 1","1","","","","- C37 H30 Cl Ir O P2 -","- C37 H30 Cl Ir O P2 -","- C37 H30 Cl Ir O P2 -","1","1","","Olsen, Esben P. K.; Singh, Thishana; Harris, Pernille; Andersson, Pher G.; Madsen, Robert","Experimental and theoretical mechanistic investigation of the iridium-catalyzed dehydrogenative decarbonylation of primary alcohols.","Journal of the American Chemical Society","2015","137","2","834","842","10.1021/ja5106943","","","1.54184","CuKα","","0.0247","0.0246","","","0.0628","0.0628","","","","","","1.063","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123290","12.322","0.0002","15.223","0.0003","21.1066","0.0003","90","","90","","90","","3959.13","0.12","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H35 Cl4 Ir O P2 -","- C46 H35 Cl4 Ir O P2 -","- C184 H140 Cl16 Ir4 O4 P8 -","4","1","","Olsen, Esben P. K.; Singh, Thishana; Harris, Pernille; Andersson, Pher G.; Madsen, Robert","Experimental and theoretical mechanistic investigation of the iridium-catalyzed dehydrogenative decarbonylation of primary alcohols.","Journal of the American Chemical Society","2015","137","2","834","842","10.1021/ja5106943","","","0.71073","MoKα","","0.0268","0.024","","","0.0512","0.0523","","","","","","1.038","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123291","6.5518","0.0005","8.8908","0.0007","14.7525","0.0011","100.064","0.001","97.0692","0.001","91.4296","0.001","838.74","0.11","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H28 S -","- C20 H28 S -","- C40 H56 S2 -","2","1","","Müller, Daniel S; Untiedt, Nicholas L.; Dieskau, André P; Lackner, Gregory L.; Overman, Larry E.","Constructing Quaternary Stereogenic Centers Using Tertiary Organocuprates and Tertiary Radicals. Total Synthesis of trans-Clerodane Natural Products.","Journal of the American Chemical Society","2015","137","2","660","663","10.1021/ja512527s","","","0.71073","MoKα","","0.0417","0.0348","","","0.0866","0.0909","","","","","","1.025","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123292","10.668","0.0004","35.2141","0.0014","7.6499","0.0003","90","","94.455","0.002","90","","2865.11","0.19","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 F6 N2 O7 S -","- C30 H24 F6 N2 O7 S -","- C120 H96 F24 N8 O28 S4 -","4","1","","McGuirk, C. Michael; Katz, Michael J.; Stern, Charlotte L.; Sarjeant, Amy A.; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.","Turning on catalysis: incorporation of a hydrogen-bond-donating squaramide moiety into a zr metal-organic framework.","Journal of the American Chemical Society","2015","137","2","919","925","10.1021/ja511403t","","","1.54178","CuKα","","0.0474","0.0432","","","0.0987","0.1017","","","","","","1.037","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123293","10.8859","0.0004","11.4845","0.0005","11.4884","0.0005","70.106","0.0018","71.073","0.002","89.5","0.0019","1269.17","0.09","100","2","100.02","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 F6 N3 O5 -","- C27 H21 F6 N3 O5 -","- C54 H42 F12 N6 O10 -","2","1","","McGuirk, C. Michael; Katz, Michael J.; Stern, Charlotte L.; Sarjeant, Amy A.; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.","Turning on catalysis: incorporation of a hydrogen-bond-donating squaramide moiety into a zr metal-organic framework.","Journal of the American Chemical Society","2015","137","2","919","925","10.1021/ja511403t","","","0.71073","MoKα","","0.0647","0.0442","","","0.1164","0.1275","","","","","","0.864","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123294","10.3707","0.0004","5.1424","0.0002","19.9292","0.0008","90","","104.805","0.0014","90","","1027.54","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","methyl (2S,3S)-2-((tert-butoxycarbonyl)amino)-3-(4-chlorophenyl)-3-(3,5-difluorophenyl)propanoate","","- C21 H22 Cl F2 N O4 -","- C21 H22 Cl F2 N O4 -","- C42 H44 Cl2 F4 N2 O8 -","2","1","","Molinaro, Carmela; Scott, Jeremy P.; Shevlin, Michael; Wise, Christopher; Ménard, Alain; Gibb, Andrew; Junker, Ellyn M.; Lieberman, David","Catalytic, Asymmetric, and Stereodivergent Synthesis of Non-Symmetric β,β-Diaryl-α-Amino Acids.","Journal of the American Chemical Society","2015","137","2","999","1006","10.1021/ja511872a","","","1.54178","CuKα","","0.0591","0.0548","","","0.1411","0.1453","","","","","","1.023","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123295","13.6451","0.001","20.7417","0.0011","21.987","0.0016","90","","91.886","0.002","90","","6219.4","0.7","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C132 H162 N6 O18 W -","- C132 H162 N6 O18 W -","- C264 H324 N12 O36 W2 -","2","0.5","","Sattler, Wesley; Henling, Lawrence M.; Winkler, Jay R.; Gray, Harry B.","Bespoke photoreductants: tungsten arylisocyanides.","Journal of the American Chemical Society","2015","137","3","1198","1205","10.1021/ja510973h","","","0.71073","MoKα","","0.1964","0.0747","","","0.1263","0.1597","","","","","","1.016","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123296","13.4059","0.0005","17.0452","0.0006","17.3447","0.0006","62.0827","0.0014","82.602","0.0016","70.1845","0.0015","3292.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H87 N3 O6 W0.5 -","- C75 H87 N3 O6 W0.5 -","- C150 H174 N6 O12 W -","2","1","","Sattler, Wesley; Henling, Lawrence M.; Winkler, Jay R.; Gray, Harry B.","Bespoke photoreductants: tungsten arylisocyanides.","Journal of the American Chemical Society","2015","137","3","1198","1205","10.1021/ja510973h","","","0.71073","MoKα","","0.0507","0.0464","","","0.1128","0.1173","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123297","14.456","0.003","18.045","0.003","18.803","0.004","85.655","0.006","87.973","0.006","81.028","0.005","4829.6","1.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C114 H126 N6 W -","- C114 H126 N6 W -","- C228 H252 N12 W2 -","2","1","","Sattler, Wesley; Henling, Lawrence M.; Winkler, Jay R.; Gray, Harry B.","Bespoke photoreductants: tungsten arylisocyanides.","Journal of the American Chemical Society","2015","137","3","1198","1205","10.1021/ja510973h","","","0.71073","MoKα","","0.1583","0.0776","","","0.1152","0.1283","","","","","","1.35","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123298","44.228","0.01","13.454","0.003","46.847","0.01","90","","111.074","0.003","90","","26012","10","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C161 H168 N6 W -","- C161 H168 N6 W -","- C1288 H1344 N48 W8 -","8","1","","Sattler, Wesley; Henling, Lawrence M.; Winkler, Jay R.; Gray, Harry B.","Bespoke photoreductants: tungsten arylisocyanides.","Journal of the American Chemical Society","2015","137","3","1198","1205","10.1021/ja510973h","","","0.71073","MoKα","","0.143","0.0804","","","0.1411","0.1609","","","","","","1.104","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123299","12.751","0.005","29.14","0.005","17.008","0.005","90","0.005","93.406","0.005","90","0.005","6308","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","deb_2_145","","","- C60.5 H83 F12 K Mo N O6.25 -","- C60.442 H82.884 F12 K Mo N O6.279 -","- C241.768 H331.536 F48 K4 Mo4 N4 O25.116 -","4","1","","Bellone, Donatela E.; Bours, Justin; Menke, Elisabeth H.; Fischer, Felix R.","Highly Selective Molybdenum ONO Pincer Complex Initiates the Living Ring-Opening Metathesis Polymerization of Strained Alkynes with Exceptionally Low Polydispersity Indices.","Journal of the American Chemical Society","2015","137","2","850","856","10.1021/ja510919v","","","0.71073","MoKα","","0.0512","0.0367","","","0.0818","0.0885","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123300","22.8625","0.0008","6.7348","0.0002","15.0755","0.0005","90","","97.153","0.002","90","","2303.17","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","deb_1_051","","","- C28 H36 O2 -","- C28 H36 O2 -","- C112 H144 O8 -","4","1","","Bellone, Donatela E.; Bours, Justin; Menke, Elisabeth H.; Fischer, Felix R.","Highly Selective Molybdenum ONO Pincer Complex Initiates the Living Ring-Opening Metathesis Polymerization of Strained Alkynes with Exceptionally Low Polydispersity Indices.","Journal of the American Chemical Society","2015","137","2","850","856","10.1021/ja510919v","","","1.54178","CuKα","","0.0331","0.0292","","","0.0756","0.0779","","","","","","1.024","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123301","8.7984","0.0006","10.1655","0.0008","9.8954","0.0007","90","","90.989","0.002","90","","884.91","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","","Lu, Ping; Jackson, Jeffrey J.; Eickhoff, John A.; Zakarian, Armen","Direct enantioselective conjugate addition of carboxylic acids with chiral lithium amides as traceless auxiliaries.","Journal of the American Chemical Society","2015","137","2","656","659","10.1021/ja512213c","","","1.54178","CuKα","","0.039","0.0385","","","0.1086","0.1094","","","","","","1.066","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123302","12.418","0.003","12.418","0.003","25.856","0.005","90","","90","","120","","3453","1.4","106","2","106","2","","","","","","","","4","P 65","P 65","170","","","","- C26 H33 N O3 -","- C26 H33 N O3 -","- C156 H198 N6 O18 -","6","1","","Lu, Ping; Jackson, Jeffrey J.; Eickhoff, John A.; Zakarian, Armen","Direct enantioselective conjugate addition of carboxylic acids with chiral lithium amides as traceless auxiliaries.","Journal of the American Chemical Society","2015","137","2","656","659","10.1021/ja512213c","","","0.71073","MoKα","","0.0683","0.0462","","","0.0868","0.0945","","","","","","1.034","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123303","9.0641","0.0007","8.8761","0.0005","42.95","0.003","90","","90","","90","","3455.5","0.4","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O -","- C21 H19 N O -","- C168 H152 N8 O8 -","8","1","","Wang, Min; Zhang, Xiang; Zhuang, Yu-Xuan; Xu, Yun-He; Loh, Teck-Peng","Pd-Catalyzed Intramolecular C-N Bond Cleavage, 1,4-Migration, sp(3) C-H Activation, and Heck Reaction: Four Controllable Diverse Pathways Depending on the Judicious Choice of the Base and Ligand.","Journal of the American Chemical Society","2015","","","150115112743003","","10.1021/ja512212x","","","0.71073","MoKα","","0.1436","0.0765","","","0.1345","0.1619","","","","","","1.061","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123304","8.6543","0.0005","14.3664","0.001","10.7483","0.0007","90","","90.845","0.006","90","","1336.2","0.15","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","2","","Wang, Min; Zhang, Xiang; Zhuang, Yu-Xuan; Xu, Yun-He; Loh, Teck-Peng","Pd-Catalyzed Intramolecular C-N Bond Cleavage, 1,4-Migration, sp(3) C-H Activation, and Heck Reaction: Four Controllable Diverse Pathways Depending on the Judicious Choice of the Base and Ligand.","Journal of the American Chemical Society","2015","","","150115112743003","","10.1021/ja512212x","","","0.71073","MoKα","","0.055","0.0427","","","0.0992","0.1081","","","","","","1.057","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123305","25.5439","0.0008","26.3802","0.0008","38.325","0.0013","90","","90","","90","","25825.4","1.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C96 H92 F36 N12 P6 -","- C96 H92 F35.994 N12 P5.999 -","- C768 H736 F287.952 N96 P47.992 -","8","1","","Wang, Yuping; Frasconi, Marco; Liu, Wei-Guang; Liu, Zhichang; Sarjeant, Amy A.; Nassar, Majed S.; Botros, Youssry Y.; Goddard, 3rd, William A; Stoddart, J. Fraser","Folding of oligoviologens induced by radical-radical interactions.","Journal of the American Chemical Society","2015","137","2","876","885","10.1021/ja5111305","","","1.54178","CuKα","","0.1992","0.1047","","","0.3022","0.3286","","","","","","0.942","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123306","17.115","0.003","5.916","0.0012","16.611","0.004","90","","94.76","0.03","90","","1676.1","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C80 H88 N8 -","4","1","","Wang, Yi; Tan, Xiao; Zhang, Yu-Mo; Zhu, Shaoyin; Zhang, Ivan; Yu, Binhong; Wang, Kai; Yang, Bing; Li, Minjie; Zou, Bo; Zhang, Sean Xiao-An","Dynamic Behavior of Molecular Switches in Crystal under Pressure and Its Reflection on Tactile Sensing.","Journal of the American Chemical Society","2015","137","2","931","939","10.1021/ja511499p","","","0.71073","MoKα","","0.1086","0.0534","","","0.1217","0.1464","","","","","","0.967","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123307","24.174","0.011","10.013","0.005","19.969","0.009","90","","100.132","0.019","90","","4758","4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 N3 O3 -","- C27 H27 N3 O3 -","- C216 H216 N24 O24 -","8","1","","Wang, Yi; Tan, Xiao; Zhang, Yu-Mo; Zhu, Shaoyin; Zhang, Ivan; Yu, Binhong; Wang, Kai; Yang, Bing; Li, Minjie; Zou, Bo; Zhang, Sean Xiao-An","Dynamic Behavior of Molecular Switches in Crystal under Pressure and Its Reflection on Tactile Sensing.","Journal of the American Chemical Society","2015","137","2","931","939","10.1021/ja511499p","","","0.71073","MoKα","","0.0805","0.0592","","","0.1714","0.1875","","","","","","1.005","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123308","14.314","0.003","13.075","0.003","12.034","0.002","90","","109.95","0.03","90","","2117.1","0.8","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 O5 -","- C25 H21 N3 O5 -","- C100 H84 N12 O20 -","4","1","","Wang, Yi; Tan, Xiao; Zhang, Yu-Mo; Zhu, Shaoyin; Zhang, Ivan; Yu, Binhong; Wang, Kai; Yang, Bing; Li, Minjie; Zou, Bo; Zhang, Sean Xiao-An","Dynamic Behavior of Molecular Switches in Crystal under Pressure and Its Reflection on Tactile Sensing.","Journal of the American Chemical Society","2015","137","2","931","939","10.1021/ja511499p","","","0.71073","MoKα","","0.1039","0.0549","","","0.1217","0.1419","","","","","","1.018","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123309","4.63839","0.00002","4.63839","0.00002","16.83143","0.00014","90","","90","","120","","313.607","0.003","295","","295","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au La Sb -","- Au La Sb -","- Au4 La4 Sb4 -","4","0.166667","","Seibel, Elizabeth M.; Schoop, Leslie M.; Xie, Weiwei; Gibson, Quinn D.; Webb, James B.; Fuccillo, Michael K.; Krizan, Jason W.; Cava, Robert J.","Gold-Gold Bonding: The Key to Stabilizing the 19-Electron Ternary Phases LnAuSb (Ln = La-Nd and Sm).","Journal of the American Chemical Society","2015","137","3","1282","1289","10.1021/ja511394q","powder diffraction","","0.41372","","","","","","","","","","20.9","1.644","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123310","4.58003","","4.58003","","16.47753","","90","","90","","120","","299.336","","295","","295","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au Nd Sb -","- Au1.0001 Nd Sb1.0001 -","- Au4.0004 Nd4 Sb4.0004 -","4","0.166667","","Seibel, Elizabeth M.; Schoop, Leslie M.; Xie, Weiwei; Gibson, Quinn D.; Webb, James B.; Fuccillo, Michael K.; Krizan, Jason W.; Cava, Robert J.","Gold-Gold Bonding: The Key to Stabilizing the 19-Electron Ternary Phases LnAuSb (Ln = La-Nd and Sm).","Journal of the American Chemical Society","2015","137","3","1282","1289","10.1021/ja511394q","powder diffraction","","0.41372","","","","","","","","","","7.68","1.805","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123311","4.61403","0.00002","4.61403","0.00002","16.6348","0.0001","90","","90","","120","","306.697","0.003","295","","295","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au Ce Sb -","- Au Ce Sb -","- Au4 Ce4 Sb4 -","4","0.166667","","Seibel, Elizabeth M.; Schoop, Leslie M.; Xie, Weiwei; Gibson, Quinn D.; Webb, James B.; Fuccillo, Michael K.; Krizan, Jason W.; Cava, Robert J.","Gold-Gold Bonding: The Key to Stabilizing the 19-Electron Ternary Phases LnAuSb (Ln = La-Nd and Sm).","Journal of the American Chemical Society","2015","137","3","1282","1289","10.1021/ja511394q","powder diffraction","","0.41372","","","","","","","","","","15.3","1.9","","","","","","","has coordinates","205567","2020-10-21","18:00:00",""
"4123312","19.94","0.004","44.376","0.009","28.779","0.006","90","","108.92","0.03","90","","24089","10","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C276 H228 B6 Cl2 F24 N24 O9 Pd4 -","- C276 H228 B6 Cl2 F24 N24 O9 Pd4 -","- C1104 H912 B24 Cl8 F96 N96 O36 Pd16 -","4","1","","Löffler, Susanne; Lübben, Jens; Krause, Lennard; Stalke, Dietmar; Dittrich, Birger; Clever, Guido H.","Triggered Exchange of Anionic for Neutral Guests inside a Cationic Coordination Cage.","Journal of the American Chemical Society","2015","137","3","1060","1063","10.1021/ja5130379","","","1","","","0.1457","0.0725","","","0.1877","0.2417","","","","","","1.007","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123313","22.065","0.004","22.065","0.004","33.491","0.005","90","","90","","90","","16306","5","100","2","100","2","","","","","","","","7","P 4/n","-P 4a","85","","","","- C354 H306 B8 F32 N24 O8 Pd4 -","- C354 H306 B8 F32 N24 O8 Pd4 -","- C708 H612 B16 F64 N48 O16 Pd8 -","2","","","Löffler, Susanne; Lübben, Jens; Krause, Lennard; Stalke, Dietmar; Dittrich, Birger; Clever, Guido H.","Triggered Exchange of Anionic for Neutral Guests inside a Cationic Coordination Cage.","Journal of the American Chemical Society","2015","137","3","1060","1063","10.1021/ja5130379","","","0.56086","AgKα","","0.1559","0.0857","","","0.2267","0.3066","","","","","","1.052","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123314","10.0503","0.0002","13.3666","0.0003","18.3455","0.0004","90","","90","","90","","2464.5","0.09","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 F4 N2 O3 P -","- C28 H21 F4 N2 O3 P -","- C112 H84 F16 N8 O12 P4 -","4","1","","Du, Zhi-Jun; Guan, Jing; Wu, Guo-Jie; Xu, Peng; Gao, Lian-Xun; Han, Fu-She","Pd(II)-Catalyzed Enantioselective Synthesis of P-Stereogenic Phosphinamides via Desymmetric C-H Arylation.","Journal of the American Chemical Society","2015","137","2","632","635","10.1021/ja512029x","","","1.54178","CuKα","","0.0374","0.0322","","","0.0715","0.0738","","","","","","1.051","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123315","8.8663","0.0004","11.0225","0.0004","11.7447","0.0004","94.958","0.003","96.264","0.003","108.345","0.004","1074.05","0.08","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 F3 N O -","- C27 H24 F3 N O -","- C54 H48 F6 N2 O2 -","2","1","","Fuentes, Noelia; Kong, Wangqing; Fernández-Sánchez, Luis; Merino, Estíbaliz; Nevado, Cristina","Cyclization Cascades via N-Amidyl Radicals toward Highly Functionalized Heterocyclic Scaffolds.","Journal of the American Chemical Society","2015","137","2","964","973","10.1021/ja5115858","","","1.5418","CuKα","","0.0685","0.0616","","","0.1658","0.1711","","","","","","1.041","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123316","15.87898","0.00018","10.13462","0.00011","25.6111","0.0003","90","","90","","90","","4121.53","0.08","160","1","160","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H20 F3 N O -","- C26 H20 F3 N O -","- C208 H160 F24 N8 O8 -","8","1","","Fuentes, Noelia; Kong, Wangqing; Fernández-Sánchez, Luis; Merino, Estíbaliz; Nevado, Cristina","Cyclization Cascades via N-Amidyl Radicals toward Highly Functionalized Heterocyclic Scaffolds.","Journal of the American Chemical Society","2015","137","2","964","973","10.1021/ja5115858","","x-ray","1.54184","CuKα","","0.0507","0.0488","","","0.12","0.1214","","","","","","1.09","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123317","25.00825","0.00019","9.119","0.0006","17.54725","0.00016","90","","110.511","0.0009","90","","3748","0.3","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Br N O2 -","- C22 H22 Br N O2 -","- C176 H176 Br8 N8 O16 -","8","2","","Fuentes, Noelia; Kong, Wangqing; Fernández-Sánchez, Luis; Merino, Estíbaliz; Nevado, Cristina","Cyclization Cascades via N-Amidyl Radicals toward Highly Functionalized Heterocyclic Scaffolds.","Journal of the American Chemical Society","2015","137","2","964","973","10.1021/ja5115858","","","0.71073","MoKα","","0.0451","0.0413","","","0.1038","0.1069","","","","","","1.042","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123318","9.7055","0.0002","10.7415","0.0003","12.9336","0.0003","67.332","0.002","77.291","0.002","77.32","0.002","1200.04","0.05","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 Cl3 N O2 -","- C27 H24 Cl3 N O2 -","- C54 H48 Cl6 N2 O4 -","2","1","","Fuentes, Noelia; Kong, Wangqing; Fernández-Sánchez, Luis; Merino, Estíbaliz; Nevado, Cristina","Cyclization Cascades via N-Amidyl Radicals toward Highly Functionalized Heterocyclic Scaffolds.","Journal of the American Chemical Society","2015","137","2","964","973","10.1021/ja5115858","","","0.71073","MoKα","","0.0514","0.0412","","","0.0983","0.1063","","","","","","1.031","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4123319","14.4629","0.0002","11.06417","0.00013","12.43841","0.00016","90","","100.546","0.0014","90","","1956.77","0.04","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 F3 N O -","- C25 H18 F3 N O -","- C100 H72 F12 N4 O4 -","4","1","","Fuentes, Noelia; Kong, Wangqing; Fernández-Sánchez, Luis; Merino, Estíbaliz; Nevado, Cristina","Cyclization Cascades via N-Amidyl Radicals toward Highly Functionalized Heterocyclic Scaffolds.","Journal of the American Chemical Society","2015","137","2","964","973","10.1021/ja5115858","","","1.54184","CuKα","","0.0668","0.0635","","","0.1786","0.1822","","","","","","1.039","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123320","72.75","0.04","11.847","0.005","19.475","0.009","90","","104.59","0.05","90","","16244","14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C53.12 H31.25 Cl4.25 N3 -","- C53.125 H31.25 Cl4.25 N3 -","- C850 H500 Cl68 N48 -","16","2","","Myśliwiec, Damian; Kondratowicz, Mateusz; Lis, Tadeusz; Chmielewski, Piotr J.; Stępień, Marcin","Highly Strained Nonclassical Nanotube End-caps. A Single-Step Solution Synthesis from Strain-Free, Non-Macrocyclic Precursors.","Journal of the American Chemical Society","2015","137","4","1643","1649","10.1021/ja511951x","","","1.5418","CuKα","","0.3452","0.1988","","","0.3894","0.467","","","","","","1.304","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123321","17.754","0.006","19.033","0.007","19.752","0.007","88.7","0.03","89.12","0.03","62.52","0.04","5920","4","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H35 Cl4 N3 -","- C49 H29.6667 Cl4 N3 -","- C294 H178 Cl24 N18 -","6","3","","Myśliwiec, Damian; Kondratowicz, Mateusz; Lis, Tadeusz; Chmielewski, Piotr J.; Stępień, Marcin","Highly Strained Nonclassical Nanotube End-caps. A Single-Step Solution Synthesis from Strain-Free, Non-Macrocyclic Precursors.","Journal of the American Chemical Society","2015","137","4","1643","1649","10.1021/ja511951x","","","0.71073","MoKα","","0.1915","0.1293","","","0.3508","0.389","","","","","","1.074","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123322","13.372","0.003","29.829","0.008","26.681","0.007","90","","90","","90","","10642","5","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C67 H60 Cr O3 -","- C67 H60 Cr O3 -","- C536 H480 Cr8 O24 -","8","1","","Kubota, Natsumi; Segawa, Yasutomo; Itami, Kenichiro","η(6)-Cycloparaphenylene Transition Metal Complexes: Synthesis, Structure, Photophysical Properties, and Application to the Selective Monofunctionalization of Cycloparaphenylenes.","Journal of the American Chemical Society","2015","137","3","1356","1361","10.1021/ja512271p","","","0.71075","MoKα","","0.1622","0.1343","","","0.3042","0.3221","","","","","","1.271","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123323","8.186","0.003","21.052","0.009","30.938","0.013","90.588","0.009","92.396","0.008","90.067","0.009","5327","4","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H60 O2 Si -","- C65 H60 O2 Si -","- C260 H240 O8 Si4 -","4","2","","Kubota, Natsumi; Segawa, Yasutomo; Itami, Kenichiro","η(6)-Cycloparaphenylene Transition Metal Complexes: Synthesis, Structure, Photophysical Properties, and Application to the Selective Monofunctionalization of Cycloparaphenylenes.","Journal of the American Chemical Society","2015","137","3","1356","1361","10.1021/ja512271p","","","0.71075","MoKα","","0.2297","0.1772","","","0.4452","0.4715","","","","","","1.675","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123324","13.3723","0.0006","14.617","0.0007","18.6235","0.0008","90","","90","","90","","3640.2","0.3","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 Cu F12 N8 O5 P2 -","- C27 H42 Cu F12 N8 O5 P2 -","- C108 H168 Cu4 F48 N32 O20 P8 -","4","1","","Garcia, Ludivine; Cisnetti, Federico; Gillet, Natacha; Guillot, Régis; Aumont-Nicaise, Magali; Piquemal, Jean-Philip; Desmadril, Michel; Lambert, François; Policar, Clotilde","Entasis through Hook-and-Loop Fastening in a Glycoligand with Cumulative Weak Forces Stabilizing Cu(I.).","Journal of the American Chemical Society","2015","137","3","1141","1146","10.1021/ja510259p","","x-ray","0.71073","MoKα","","0.0645","0.0479","","","0.1341","0.1422","","","","","","1.049","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123325","7.335","0.005","13.809","0.005","15.409","0.005","67.237","0.005","79.517","0.005","76.142","0.005","1390.3","1.2","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H64 Cu2 F18 N17 O5 P3 -","- C38 H64 Cu2 F18 N17 O5 P3 -","- C38 H64 Cu2 F18 N17 O5 P3 -","1","0.5","","Garcia, Ludivine; Cisnetti, Federico; Gillet, Natacha; Guillot, Régis; Aumont-Nicaise, Magali; Piquemal, Jean-Philip; Desmadril, Michel; Lambert, François; Policar, Clotilde","Entasis through Hook-and-Loop Fastening in a Glycoligand with Cumulative Weak Forces Stabilizing Cu(I.).","Journal of the American Chemical Society","2015","137","3","1141","1146","10.1021/ja510259p","","x-ray","0.71073","MoKα","","0.1315","0.0623","","","0.1243","0.1588","","","","","","1.125","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123326","11.879","0.003","13.183","0.003","13.847","0.004","105.017","0.004","93.698","0.004","90.313","0.003","2089.5","0.9","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 Cl2 I2 N4 Zn2 -","- C40 H40 Cl2 I2 N4 Zn2 -","- C80 H80 Cl4 I4 N8 Zn4 -","2","1","","Nishida, Yusuke; Hosokawa, Naoki; Murai, Masahito; Takai, Kazuhiko","Isolation and Structural Characterization of Geminal Di(iodozincio)methane Complexes Stabilized with Nitrogen Ligands.","Journal of the American Chemical Society","2015","137","1","114","117","10.1021/ja5114535","","","0.71075","MoKα","","","0.047","","","","0.1291","","","","","","1.086","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123327","15.72","0.02","8.289","0.009","12.624","0.016","90","","128.585","0.015","90","","1286","3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 I2 N2 Zn -","- C10 H8 I2 N2 Zn -","- C40 H32 I8 N8 Zn4 -","4","0.5","","Nishida, Yusuke; Hosokawa, Naoki; Murai, Masahito; Takai, Kazuhiko","Isolation and Structural Characterization of Geminal Di(iodozincio)methane Complexes Stabilized with Nitrogen Ligands.","Journal of the American Chemical Society","2015","137","1","114","117","10.1021/ja5114535","","","0.71075","MoKα","","","0.0552","","","","0.1491","","","","","","1.234","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123328","7.096","0.001","10.382","0.0015","15.619","0.002","90","","90","","90","","1150.7","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Manna, Madhu Sudan; Mukherjee, Santanu","Organocatalytic Enantioselective Formal C(sp(2))-H Alkylation.","Journal of the American Chemical Society","2015","137","1","130","133","10.1021/ja5117556","","","0.71073","MoKα","","0.0408","0.0387","","","0.0999","0.1016","","","","","","1.07","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123329","9.812","0.002","13.784","0.002","18.184","0.003","79.47","0.02","82.48","0.02","75.52","0.03","2331.7","0.8","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H23 Cl6 P Si2 -","- C15 H23 Cl6 P Si2 -","- C60 H92 Cl24 P4 Si8 -","4","2","","Roy, Sudipta; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; Frenking, Gernot; Roesky, Herbert W.","Carbene-dichlorosilylene stabilized phosphinidenes exhibiting strong intramolecular charge transfer transition.","Journal of the American Chemical Society","2015","137","1","150","153","10.1021/ja512089e","","","0.71073","MoKα","","0.0345","0.0274","","","0.0658","0.0697","","","","","","1.053","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123330","10.414","0.002","17.913","0.002","27.306","0.003","90","","90","","90","","5093.8","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H71 Cl2 N2 P Si -","- C54 H71 Cl2 N2 P Si -","- C216 H284 Cl8 N8 P4 Si4 -","4","1","","Roy, Sudipta; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; Frenking, Gernot; Roesky, Herbert W.","Carbene-dichlorosilylene stabilized phosphinidenes exhibiting strong intramolecular charge transfer transition.","Journal of the American Chemical Society","2015","137","1","150","153","10.1021/ja512089e","","","0.71073","MoKα","","0.042","0.0334","","","0.0696","0.0738","","","","","","1.071","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123331","17.079","0.002","18.335","0.002","24.196","0.003","90","","90","","90","","7576.8","1.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H58 Cl2 N P Si -","- C38 H58 Cl2 N P Si -","- C304 H464 Cl16 N8 P8 Si8 -","8","1","","Roy, Sudipta; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; Frenking, Gernot; Roesky, Herbert W.","Carbene-dichlorosilylene stabilized phosphinidenes exhibiting strong intramolecular charge transfer transition.","Journal of the American Chemical Society","2015","137","1","150","153","10.1021/ja512089e","","","0.71073","MoKα","","0.079","0.0408","","","0.0765","0.0904","","","","","","1.004","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123332","14.001","0.002","15.439","0.004","17.768","0.005","90","","113.065","0.007","90","","3533.7","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H54 Cl2 N P Si -","- C35 H54 Cl2 N P Si -","- C140 H216 Cl8 N4 P4 Si4 -","4","1","","Roy, Sudipta; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; Frenking, Gernot; Roesky, Herbert W.","Carbene-dichlorosilylene stabilized phosphinidenes exhibiting strong intramolecular charge transfer transition.","Journal of the American Chemical Society","2015","137","1","150","153","10.1021/ja512089e","","","0.56086","AgKα","","0.0661","0.0389","","","0.0761","0.0854","","","","","","1.032","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123333","5.8876","0.0012","9.822","0.002","15.882","0.003","90","","90","","90","","918.4","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 Br N2 -","- C9 H11 Br N2 -","- C36 H44 Br4 N8 -","4","1","","Guo, Cui; Sun, Dong-Wei; Yang, Shuang; Mao, Shen-Jie; Xu, Xiao-Hua; Zhu, Shou-Fei; Zhou, Qi-Lin","Iridium-catalyzed asymmetric hydrogenation of 2-pyridyl cyclic imines: a highly enantioselective approach to nicotine derivatives.","Journal of the American Chemical Society","2015","137","1","90","93","10.1021/ja511422q","","","0.71073","MoKα","","0.0298","0.0259","","","0.0418","0.0427","","","","","","1.027","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123334","19.496","0.004","21.323","0.004","21.734","0.004","90","","90","","90","","9035","3","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C94 H88 B F24 Ir N O P -","- C94 H88 B F24 Ir N O P -","- C376 H352 B4 F96 Ir4 N4 O4 P4 -","4","1","","Guo, Cui; Sun, Dong-Wei; Yang, Shuang; Mao, Shen-Jie; Xu, Xiao-Hua; Zhu, Shou-Fei; Zhou, Qi-Lin","Iridium-catalyzed asymmetric hydrogenation of 2-pyridyl cyclic imines: a highly enantioselective approach to nicotine derivatives.","Journal of the American Chemical Society","2015","137","1","90","93","10.1021/ja511422q","","","0.71073","MoKα","","0.1127","0.064","","","0.08","0.0908","","","","","","1.005","","","","has coordinates,has disorder","204144","2020-10-21","18:00:00",""
"4123335","16.7775","0.0012","16.7775","0.0012","15.184","0.003","90","","90","","120","","3701.4","0.8","174","2","174","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 N6 Ni3 O13 -","- C42 H24 N6 Ni3 O13 -","- C84 H48 N12 Ni6 O26 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.04","0.0294","","","0.0662","0.0693","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123336","16.7427","0.0004","16.7427","0.0004","15.3279","0.0008","90","","90","","120","","3721","0.2","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H18 N6 Ni3 O19 -","- C42 H18 N6 Ni3 O19 -","- C84 H36 N12 Ni6 O38 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.0747","0.052","","","0.1429","0.1514","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123337","16.7446","0.0006","16.7446","0.0006","15.1964","0.0009","90","","90","","120","","3690","0.3","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H18 N9 Ni3 O13 -","- C42 H18 N9 Ni3 O13 -","- C84 H36 N18 Ni6 O26 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.0718","0.0548","","","0.1554","0.1629","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123338","16.7342","0.0003","16.7342","0.0003","15.233","0.0005","90","","90","","120","","3694.25","0.15","296","2","296","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C54 H24 N6 Ni3 O13 -","- C54 H24 N6 Ni3 O13 -","- C108 H48 N12 Ni6 O26 -","2","0.166667","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.0715","0.0592","","","0.1762","0.184","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4123339","16.6706","0.0002","16.6706","0.0002","20.9026","0.0004","90","","90","","120","","5030.76","0.13","174","2","174","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C54 H30 N6 Ni3 O13 -","- C54 H30 N6 Ni3 O13 -","- C108 H60 N12 Ni6 O26 -","2","0.166667","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.0497","0.0356","","","0.0885","0.0929","","","","","","0.941","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4123340","16.6492","0.0015","16.6492","0.0015","25.836","0.003","90","","90","","120","","6202.2","1.1","174","2","174","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C60 H36 N6 Ni3 O13 -","- C60 H36 N6 Ni3 O13 -","- C120 H72 N12 Ni6 O26 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.055","0.0355","","","0.0768","0.0817","","","","","","1.005","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4123341","20.6087","0.0002","20.6087","0.0002","22.7238","0.0005","90","","90","","120","","8358.2","0.2","174","2","174","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C66 H36 N6 Ni3 O16 -","- C66 H36 N6 Ni3 O16 -","- C132 H72 N12 Ni6 O32 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.1247","0.1058","","","0.3364","0.3604","","","","","","1.592","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4123342","7.598","0.002","23.625","0.006","7.587","0.002","90","","90","","90","","1361.9","0.6","200","2","200","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H18 Cl4 Cu N2 O2 -","- C6 H18 Cl4 Cu N2 O2 -","- C24 H72 Cl16 Cu4 N8 O8 -","4","0.5","","Jaffe, Adam; Lin, Yu; Mao, Wendy L.; Karunadasa, Hemamala I.","Pressure-Induced Conductivity and Yellow-to-Black Piezochromism in a Layered Cu-Cl Hybrid Perovskite.","Journal of the American Chemical Society","2015","137","4","1673","1678","10.1021/ja512396m","","","0.7749","","","0.0336","0.026","","","0.0614","0.0657","","","","","","1.045","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123343","7.5603","0.0015","23.571","0.005","7.5396","0.0015","90","","90","","90","","1343.6","0.5","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H18 Cl4 Cu N2 O2 -","- C6 H18 Cl4 Cu N2 O2 -","- C24 H72 Cl16 Cu4 N8 O8 -","4","0.5","","Jaffe, Adam; Lin, Yu; Mao, Wendy L.; Karunadasa, Hemamala I.","Pressure-Induced Conductivity and Yellow-to-Black Piezochromism in a Layered Cu-Cl Hybrid Perovskite.","Journal of the American Chemical Society","2015","137","4","1673","1678","10.1021/ja512396m","","","0.7749","","","0.0275","0.0243","","","0.0601","0.065","","","","","","0.671","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123344","23.671","0.008","7.611","0.002","7.649","0.002","90","","90","","90","","1378","0.7","350","2","350","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H18 Cl4 Cu N2 O2 -","- C6 H18 Cl4 Cu N2 O2 -","- C24 H72 Cl16 Cu4 N8 O8 -","4","0.5","","Jaffe, Adam; Lin, Yu; Mao, Wendy L.; Karunadasa, Hemamala I.","Pressure-Induced Conductivity and Yellow-to-Black Piezochromism in a Layered Cu-Cl Hybrid Perovskite.","Journal of the American Chemical Society","2015","137","4","1673","1678","10.1021/ja512396m","","","0.7749","","","0.0413","0.0308","","","0.0734","0.0919","","","","","","0.484","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123345","23.65","0.007","7.604","0.002","7.623","0.002","90","","90","","90","","1370.9","0.7","300","2","300","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H18 Cl4 Cu N2 O2 -","- C6 H18 Cl4 Cu N2 O2 -","- C24 H72 Cl16 Cu4 N8 O8 -","4","0.5","","Jaffe, Adam; Lin, Yu; Mao, Wendy L.; Karunadasa, Hemamala I.","Pressure-Induced Conductivity and Yellow-to-Black Piezochromism in a Layered Cu-Cl Hybrid Perovskite.","Journal of the American Chemical Society","2015","137","4","1673","1678","10.1021/ja512396m","","","0.7749","","","0.0405","0.0302","","","0.0723","0.0793","","","","","","1.046","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123346","11.2764","0.0015","11.6829","0.0017","16.883","0.003","94.091","0.003","100.732","0.003","113.868","0.003","1971.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H39 Cl Co N16 O4 -","- C36 H39 Cl Co N16 O4 -","- C72 H78 Cl2 Co2 N32 O8 -","2","1","","Schweinfurth, David; Sommer, Michael G.; Atanasov, Mihail; Demeshko, Serhiy; Hohloch, Stephan; Meyer, Franc; Neese, Frank; Sarkar, Biprajit","The Ligand Field of the Azido Ligand: Insights into Bonding Parameters and Magnetic Anisotropy in a Co(II)-Azido Complex.","Journal of the American Chemical Society","2015","137","5","1993","2005","10.1021/ja512232f","","","0.71073","MoKα","","0.0789","0.0429","","","0.0953","0.1214","","","","","","1.002","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123347","19.3867","0.0007","19.3867","0.0007","20.8268","0.0015","90","","90","","120","","6778.9","0.6","100","2","100","","","","","","","","","6","P 61","P 61","169","","","","- C41.52 H38.08 Co2 N1.64 O12.35 S4 -","- C41.516 H38.077 Co2 N1.642 O12.348 S4 -","- C249.096 H228.462 Co12 N9.852 O74.088 S24 -","6","1","","Park, Sarah S.; Hontz, Eric R.; Sun, Lei; Hendon, Christopher H.; Walsh, Aron; Van Voorhis, Troy; Dincă, Mircea","Cation-dependent intrinsic electrical conductivity in isostructural tetrathiafulvalene-based microporous metal-organic frameworks.","Journal of the American Chemical Society","2015","137","5","1774","1777","10.1021/ja512437u","","","0.71073","MoKα","","0.0416","0.0374","","","0.094","0.0973","","","","","","1.046","","","","has coordinates,has disorder","288193","2023-12-08","17:12:23",""
"4123348","19.6","0.003","19.6","0.003","20.76","0.003","90","","90","","120","","6906.7","1.8","100","2","100","","","","","","","","","6","P 65","P 65","170","","","","- C42 H37 Cd2 N2 O13 S4 -","- C42 H37 Cd2 N2 O13 S4 -","- C252 H222 Cd12 N12 O78 S24 -","6","1","","Park, Sarah S.; Hontz, Eric R.; Sun, Lei; Hendon, Christopher H.; Walsh, Aron; Van Voorhis, Troy; Dincă, Mircea","Cation-dependent intrinsic electrical conductivity in isostructural tetrathiafulvalene-based microporous metal-organic frameworks.","Journal of the American Chemical Society","2015","137","5","1774","1777","10.1021/ja512437u","","","0.71073","MoKα","","0.0453","0.0387","","","0.0916","0.0969","","","","","","1.048","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123349","19.469","0.0007","19.469","0.0007","20.6804","0.0008","90","","90","","120","","6788.5","0.4","100","2","100.01","","","","","","","","","6","P 65","P 65","170","","","","- C40.94 H37.3 Mn2 N1.76 O12.59 S4 -","- C41.013 H37.485 Mn2 N1.777 O12.618 S4 -","- C246.078 H224.91 Mn12 N10.662 O75.708 S24 -","6","1","","Park, Sarah S.; Hontz, Eric R.; Sun, Lei; Hendon, Christopher H.; Walsh, Aron; Van Voorhis, Troy; Dincă, Mircea","Cation-dependent intrinsic electrical conductivity in isostructural tetrathiafulvalene-based microporous metal-organic frameworks.","Journal of the American Chemical Society","2015","137","5","1774","1777","10.1021/ja512437u","","","0.71073","MoKα","","0.0382","0.0313","","","0.0744","0.0782","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123350","8.5357","0.0004","12.1128","0.0006","16.2384","0.0008","90","","90","","90","","1678.91","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","1","","Hernández-Linares, María Guadalupe; Guerrero-Luna, Gabriel; Pérez-Estrada, Salvador; Ellison, Martha; Ortin, Maria-Mar; Garcia-Garibay, Miguel A","Large-scale green chemical synthesis of adjacent quaternary chiral centers by continuous flow photodecarbonylation of aqueous suspensions of nanocrystalline ketones.","Journal of the American Chemical Society","2015","137","4","1679","1684","10.1021/ja512524j","","","0.71073","MoKα","","0.0284","0.0266","","","0.0678","0.0694","","","","","","1.04","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123351","13.71","0.006","8.846","0.004","27.091","0.011","90","","96.175","0.008","90","","3266","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","","Hernández-Linares, María Guadalupe; Guerrero-Luna, Gabriel; Pérez-Estrada, Salvador; Ellison, Martha; Ortin, Maria-Mar; Garcia-Garibay, Miguel A","Large-scale green chemical synthesis of adjacent quaternary chiral centers by continuous flow photodecarbonylation of aqueous suspensions of nanocrystalline ketones.","Journal of the American Chemical Society","2015","137","4","1679","1684","10.1021/ja512524j","","","0.71073","MoKα","","0.0654","0.0579","","","0.1409","0.1435","","","","","","1.182","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123352","6.913","0.0016","12.285","0.003","9.22","0.002","90","","94.756","0.003","90","","780.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Hernández-Linares, María Guadalupe; Guerrero-Luna, Gabriel; Pérez-Estrada, Salvador; Ellison, Martha; Ortin, Maria-Mar; Garcia-Garibay, Miguel A","Large-scale green chemical synthesis of adjacent quaternary chiral centers by continuous flow photodecarbonylation of aqueous suspensions of nanocrystalline ketones.","Journal of the American Chemical Society","2015","137","4","1679","1684","10.1021/ja512524j","","","0.71073","MoKα","","0.0288","0.0273","","","0.0656","0.0671","","","","","","1.022","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123353","22.2729","0.0008","22.2729","0.0008","22.2145","0.0007","90","","90","","90","","11020.2","0.7","100","2","100","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C120 H156 Cl N4 O12 P5 -","- C120 H156 Cl N4 O12 P5 -","- C480 H624 Cl4 N16 O48 P20 -","4","0.25","","Ciardi, Moira; Galán, Albano; Ballester, Pablo","Tetra-phosphonate Calix[4]pyrrole Cavitands as Multitopic Receptors for the Recognition of Ion Pairs.","Journal of the American Chemical Society","2015","137","5","2047","2055","10.1021/ja512590j","","","0.71073","MoKα","","0.2485","0.2212","","","0.5535","0.5606","","","","","","4.141","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123354","29.1112","0.0013","22.9424","0.001","32.0414","0.0012","90","","90","","90","","21399.8","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C120 H150 N6 O12 P4 -","- C120 H150 N6 O12 P4 -","- C960 H1200 N48 O96 P32 -","8","1","","Ciardi, Moira; Galán, Albano; Ballester, Pablo","Tetra-phosphonate Calix[4]pyrrole Cavitands as Multitopic Receptors for the Recognition of Ion Pairs.","Journal of the American Chemical Society","2015","137","5","2047","2055","10.1021/ja512590j","","","0.71073","MoKα","","0.1404","0.0992","","","0.2579","0.2917","","","","","","1.06","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123355","9.94535","0.00018","10.8292","0.0002","24.7162","0.0005","90","","90","","90","","2661.94","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 Br O5 -","- C32 H27 Br O5 -","- C128 H108 Br4 O20 -","4","1","","Odagi, Minami; Furukori, Kota; Yamamoto, Yoshiharu; Sato, Makoto; Iida, Keisuke; Yamanaka, Masahiro; Nagasawa, Kazuo","Origin of Stereocontrol in Guanidine-Bisurea Bifunctional Organocatalyst That Promotes α-Hydroxylation of Tetralone-Derived β-Ketoesters: Asymmetric Synthesis of β- and γ-Substituted Tetralone Derivatives via Organocatalytic Oxidative Kinetic Resolution.","Journal of the American Chemical Society","2015","137","5","1909","1915","10.1021/ja511149y","","","1.54187","CuKα","","0.0264","0.0253","","","0.063","0.0636","","","","","","1.079","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123356","20.7653","0.0004","6.6804","0.00012","18.6726","0.0003","90","","110.495","0.001","90","","2426.32","0.08","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H25 Br O5 -","- C28 H25 Br O5 -","- C112 H100 Br4 O20 -","4","1","","Odagi, Minami; Furukori, Kota; Yamamoto, Yoshiharu; Sato, Makoto; Iida, Keisuke; Yamanaka, Masahiro; Nagasawa, Kazuo","Origin of Stereocontrol in Guanidine-Bisurea Bifunctional Organocatalyst That Promotes α-Hydroxylation of Tetralone-Derived β-Ketoesters: Asymmetric Synthesis of β- and γ-Substituted Tetralone Derivatives via Organocatalytic Oxidative Kinetic Resolution.","Journal of the American Chemical Society","2015","137","5","1909","1915","10.1021/ja511149y","","","1.54187","CuKα","","0.0915","0.0409","","","0.0597","0.0918","","","","","","1.192","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123357","14.737","0.0016","27.527","0.003","15.2903","0.0017","90","","95.821","0.004","90","","6170.8","1.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H30 Br N O10 -","- C30.93 H32.48 Br N O10.25 -","- C247.44 H259.84 Br8 N8 O82 -","8","4","","Halskov, Kim Søholm; Kniep, Florian; Lauridsen, Vibeke Henriette; Iversen, Eva Høgh; Donslund, Bjarke Skyum; Jørgensen, Karl Anker","Organocatalytic enamine-activation of cyclopropanes for highly stereoselective formation of cyclobutanes.","Journal of the American Chemical Society","2015","137","4","1685","1691","10.1021/ja512573q","","","0.56086","AgKα","","0.0862","0.0629","","","0.1664","0.187","","","","","","1.07","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123358","11.998","0.002","14.851","0.003","12.524","0.003","90","","93.8","0.03","90","","2226.6","0.8","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C92 H82 N12 O32 -","- C92 H82 N12 O32 -","- C92 H82 N12 O32 -","1","0.5","","Martínez-Calvo, Miguel; Kotova, Oxana; Möbius, Matthias E; Bell, Alan P.; McCabe, Thomas; Boland, John J.; Gunnlaugsson, Thorfinnur","Healable luminescent self-assembly supramolecular metallogels possessing lanthanide (eu/tb) dependent rheological and morphological properties.","Journal of the American Chemical Society","2015","137","5","1983","1992","10.1021/ja511799n","","","0.71073","MoKα","","","0.0513","","","","0.1873","","","","","","1.12","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123359","24.688","0.004","18.375","0.003","35.257","0.006","90","","90.345","0.002","90","","15994","5","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H30 Fe3 O18 -","- C54 H30 Fe3 O18 -","- C216 H120 Fe12 O72 -","4","1","","Park, Jihye; Feng, Dawei; Zhou, Hong-Cai","Structure-assisted functional anchor implantation in robust metal-organic frameworks with ultralarge pores.","Journal of the American Chemical Society","2015","137","4","1663","1672","10.1021/ja5123528","","","0.71073","MoKα","","0.1117","0.0632","","","0.1321","0.1399","","","","","","1","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123360","8.0459","0.0009","12.9424","0.0015","17.2406","0.0019","90","","90","","90","","1795.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O2 S -","- C19 H27 N O2 S -","- C76 H108 N4 O8 S4 -","4","1","","Chen, Te-Yu; Tsutsumi, Ryosuke; Montgomery, T. Patrick; Volchkov, Ivan; Krische, Michael J.","Ruthenium-Catalyzed C-C Coupling of Amino Alcohols with Dienes via Transfer Hydrogenation: Redox-Triggered Imine Addition and Related Hydroaminoalkylations.","Journal of the American Chemical Society","2015","137","5","1798","1801","10.1021/ja5130258","","","0.71073","MoKα","","0.0826","0.0685","","","0.1336","0.141","","","","","","1.109","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123361","6.2588","0.0007","14.004","0.0016","8.5176","0.0009","90","","101.959","0.007","90","","730.35","0.14","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C30 H42 N2 O4 S2 -","2","1","","Chen, Te-Yu; Tsutsumi, Ryosuke; Montgomery, T. Patrick; Volchkov, Ivan; Krische, Michael J.","Ruthenium-Catalyzed C-C Coupling of Amino Alcohols with Dienes via Transfer Hydrogenation: Redox-Triggered Imine Addition and Related Hydroaminoalkylations.","Journal of the American Chemical Society","2015","137","5","1798","1801","10.1021/ja5130258","","","0.71073","MoKα","","0.0885","0.061","","","0.1339","0.144","","","","","","1.086","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123362","12.5094","0.0012","9.8617","0.0009","15.3826","0.0015","90","","107.849","0.004","90","","1806.3","0.3","108","2","108","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Sn V -","- C20 H28 Sn V -","- C80 H112 Sn4 V4 -","4","0.5","","Braunschweig, Holger; Damme, Alexander; Demeshko, Serhiy; Dück, Klaus; Kramer, Thomas; Krummenacher, Ivo; Meyer, Franc; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Whittell, George R.","A paramagnetic heterobimetallic polymer: synthesis, reactivity, and ring-opening polymerization of tin-bridged homo- and heteroleptic vanadoarenophanes.","Journal of the American Chemical Society","2015","137","4","1492","1500","10.1021/ja510884h","","","0.71073","MoKα","","0.0124","0.0118","","","0.031","0.0313","","","","","","1.122","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123363","12.8987","0.0016","9.316","0.0012","16.749","0.002","90","","110.477","0.002","90","","1885.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Sn V -","- C20 H28 Sn V -","- C80 H112 Sn4 V4 -","4","1","","Braunschweig, Holger; Damme, Alexander; Demeshko, Serhiy; Dück, Klaus; Kramer, Thomas; Krummenacher, Ivo; Meyer, Franc; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Whittell, George R.","A paramagnetic heterobimetallic polymer: synthesis, reactivity, and ring-opening polymerization of tin-bridged homo- and heteroleptic vanadoarenophanes.","Journal of the American Chemical Society","2015","137","4","1492","1500","10.1021/ja510884h","","","0.71073","MoKα","","0.0365","0.0304","","","0.0754","0.0782","","","","","","1.025","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123364","21.9178","0.0014","18.6844","0.0011","17.974","0.0011","90","","109.179","0.003","90","","6952.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H58 P2 Pt Sn V -","- C32 H58 P2 Pt Sn V -","- C256 H464 P16 Pt8 Sn8 V8 -","8","2","","Braunschweig, Holger; Damme, Alexander; Demeshko, Serhiy; Dück, Klaus; Kramer, Thomas; Krummenacher, Ivo; Meyer, Franc; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Whittell, George R.","A paramagnetic heterobimetallic polymer: synthesis, reactivity, and ring-opening polymerization of tin-bridged homo- and heteroleptic vanadoarenophanes.","Journal of the American Chemical Society","2015","137","4","1492","1500","10.1021/ja510884h","","","0.71073","MoKα","","0.0709","0.0402","","","0.0818","0.0965","","","","","","0.869","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123365","11.6024","0.0005","19.1333","0.0009","15.8714","0.0007","90","","102.149","0.002","90","","3444.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H58 P2 Pt Sn V -","- C32 H58 P2 Pt Sn V -","- C128 H232 P8 Pt4 Sn4 V4 -","4","1","","Braunschweig, Holger; Damme, Alexander; Demeshko, Serhiy; Dück, Klaus; Kramer, Thomas; Krummenacher, Ivo; Meyer, Franc; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Whittell, George R.","A paramagnetic heterobimetallic polymer: synthesis, reactivity, and ring-opening polymerization of tin-bridged homo- and heteroleptic vanadoarenophanes.","Journal of the American Chemical Society","2015","137","4","1492","1500","10.1021/ja510884h","","","0.71073","MoKα","","0.0303","0.0229","","","0.0479","0.0506","","","","","","1.054","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123366","9.49","0.0002","9.929","0.0003","10.876","0.0003","100.511","0.0011","98.054","0.0011","99.392","0.0015","978.74","0.05","130","2","130","2","","","","","","","","7","P -1","-P 1","2","brines05","brines05","","- C12 H27 F3 Fe N4 O5 S -","- C12 H27 F3 Fe N4 O5 S -","- C24 H54 F6 Fe2 N8 O10 S2 -","2","1","","Brines, Lisa M.; Coggins, Michael K.; Poon, Penny Chaau Yan; Toledo, Santiago; Kaminsky, Werner; Kirk, Martin L.; Kovacs, Julie A.","Water-Soluble Fe(II)-H2O Complex with a Weak O-H Bond Transfers a Hydrogen Atom via an Observable Monomeric Fe(III)-OH.","Journal of the American Chemical Society","2015","137","6","2253","2264","10.1021/ja5068405","","","0.71073","MoKα","","0.055","0.0457","","","0.125","0.1299","","","","","","1.137","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123367","22.61","0.0005","22.61","0.0005","22.61","0.0005","90","","90","","90","","11558.5","0.4","130","2","130","2","","","","","","","","7","I 21 3","I 2b 2c 3","199","brines06","brines06","","- C24 H42 F6 Fe2 N8 O9 S2 -","- C24 H42 F6 Fe2 N8 O9 S2 -","- C288 H504 F72 Fe24 N96 O108 S24 -","12","0.5","","Brines, Lisa M.; Coggins, Michael K.; Poon, Penny Chaau Yan; Toledo, Santiago; Kaminsky, Werner; Kirk, Martin L.; Kovacs, Julie A.","Water-Soluble Fe(II)-H2O Complex with a Weak O-H Bond Transfers a Hydrogen Atom via an Observable Monomeric Fe(III)-OH.","Journal of the American Chemical Society","2015","137","6","2253","2264","10.1021/ja5068405","","","0.71073","MoKα","","0.0925","0.0521","","","0.1192","0.1399","","","","","","1.016","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123368","20.564","0.0005","13.042","0.0004","18.436","0.0007","90","","111.117","0.001","90","","4612.4","0.3","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","brines08_b","brines08_b","","- C54 H112 F18 Fe4 N16 O25 S6 -","- C54 H112 F18 Fe4 N16 O25 S6 -","- C108 H224 F36 Fe8 N32 O50 S12 -","2","0.5","","Brines, Lisa M.; Coggins, Michael K.; Poon, Penny Chaau Yan; Toledo, Santiago; Kaminsky, Werner; Kirk, Martin L.; Kovacs, Julie A.","Water-Soluble Fe(II)-H2O Complex with a Weak O-H Bond Transfers a Hydrogen Atom via an Observable Monomeric Fe(III)-OH.","Journal of the American Chemical Society","2015","137","6","2253","2264","10.1021/ja5068405","","","0.71073","MoKα","","0.2041","0.0655","","","0.1418","0.176","","","","","","0.982","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123369","7.8818","0.0014","8.7859","0.0015","8.9967","0.0016","90","","115.426","0.002","90","","562.67","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RecPGA 100k","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C20 H28 N4 O12 -","4","1","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0359","0.0345","","","0.0942","0.0957","","","","","","1.074","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123370","7.9568","0.0017","8.7449","0.0019","9.098","0.002","90","","115.482","0.003","90","","571.5","0.2","268","2","268","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Rec-PGA 273K","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C20 H28 N4 O12 -","4","1","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0625","0.0414","","","0.0978","0.1109","","","","","","1.013","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123371","8.059","0.005","8.762","0.005","9.167","0.006","90","","114.875","0.008","90","","587.3","0.6","371","2","371","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","RecPGA 373K","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C20 H28 N4 O12 -","4","1","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.1046","0.0455","","","0.1061","0.1278","","","","","","0.944","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123372","8.1865","0.0003","14.3317","0.0005","14.6585","0.0005","90","","90","","90","","1719.83","0.1","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0415","0.0326","","","0.0773","0.0803","","","","","","1.039","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123373","8.9579","0.0001","13.2324","0.0002","14.6009","0.0002","90","","90","","90","","1730.71","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0547","0.0435","","","0.1156","0.1215","","","","","","1.078","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123374","8.9727","0.0004","13.3086","0.0006","14.6196","0.0006","90","","90","","90","","1745.79","0.13","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0537","0.0448","","","0.1249","0.1314","","","","","","1.043","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123375","9.001","0.0005","13.3871","0.0008","14.6429","0.0008","90","","90","","90","","1764.43","0.17","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0669","0.0502","","","0.1387","0.1494","","","","","","1.042","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123376","9.024","0.005","13.453","0.008","14.672","0.008","90","","90","","90","","1781.2","1.7","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0791","0.0531","","","0.1487","0.1622","","","","","","1.064","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123377","9.039","0.001","13.468","0.001","14.67","0.001","90","","90","","90","","1785.9","0.3","330","2","330","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0876","0.053","","","0.1435","0.1656","","","","","","0.962","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123378","4.4135","0.0007","9.1662","0.0014","14.753","0.002","90","","90","","90","","596.83","0.15","353","2","353","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C20 H28 N4 O12 -","4","1","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.082","0.0576","","","0.1644","0.1797","","","","","","1.064","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123379","8.2013","0.0008","14.3479","0.0014","14.6577","0.0013","90","","90","","90","","1724.8","0.3","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","D-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0529","0.0377","","","0.0875","0.0928","","","","","","1.016","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123380","8.9496","0.0003","13.2294","0.0004","14.5958","0.0005","90","","90","","90","","1728.11","0.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","D-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0514","0.0407","","","0.0999","0.1065","","","","","","1.03","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123381","8.9685","0.0011","13.3051","0.0019","14.6126","0.0019","90","","90","","90","","1743.7","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","d-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.1288","0.0612","","","0.1106","0.1249","","","","","","0.976","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123382","8.988","0.004","13.378","0.005","14.62","0.006","90","","90","","90","","1757.9","1.3","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","d-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.1011","0.0515","","","0.108","0.1229","","","","","","1.026","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123383","9.0121","0.0012","13.4568","0.0018","14.6634","0.0018","90","","90","","90","","1778.3","0.4","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","D-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0624","0.0448","","","0.1097","0.1169","","","","","","1.06","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123384","9.0379","0.0009","13.4729","0.0014","14.6797","0.0013","90","","90","","90","","1787.5","0.3","331","2","331","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","D-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0652","0.043","","","0.1068","0.1155","","","","","","0.999","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123385","4.425","0.001","9.162","0.002","14.747","0.003","90","","90","","90","","597.9","0.2","361","2","361","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","D-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C20 H28 N4 O12 -","4","1","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0848","0.0507","","","0.151","0.1664","","","","","","1.019","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123386","11.9691","0.0007","16.9351","0.001","22.841","0.0013","106.621","0.003","91.522","0.003","109.707","0.003","4137.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H107 Mo2 O10 P4 -","- C93 H107 Mo2 O10 P4 -","- C186 H214 Mo4 O20 P8 -","2","1","","Henthorn, Justin T.; Lin, Sibo; Agapie, Theodor","Combination of Redox-Active Ligand and Lewis Acid for Dioxygen Reduction with π-Bound Molybdenum-Quinonoid Complexes.","Journal of the American Chemical Society","2015","137","4","1458","1464","10.1021/ja5100405","","","0.71073","MoKα","","0.0613","0.0506","","","0.1879","0.2015","","","","","","1.633","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123387","11.402","0.0004","17.1733","0.0007","19.0484","0.0007","90","","102.399","0.001","90","","3642.9","0.2","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H47 Mo N O5 P2 Si -","- C37 H47 Mo N O5 P2 Si -","- C148 H188 Mo4 N4 O20 P8 Si4 -","4","1","","Henthorn, Justin T.; Lin, Sibo; Agapie, Theodor","Combination of Redox-Active Ligand and Lewis Acid for Dioxygen Reduction with π-Bound Molybdenum-Quinonoid Complexes.","Journal of the American Chemical Society","2015","137","4","1458","1464","10.1021/ja5100405","","","0.71073","MoKα","","0.0924","0.0486","","","0.126","0.1523","","","","","","0.99","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123388","11.6649","0.0006","16.187","0.0008","16.4201","0.0008","90","","108.193","0.003","90","","2945.4","0.3","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Mo O4 P2 -","- C32 H38 Mo O4 P2 -","- C128 H152 Mo4 O16 P8 -","4","1","","Henthorn, Justin T.; Lin, Sibo; Agapie, Theodor","Combination of Redox-Active Ligand and Lewis Acid for Dioxygen Reduction with π-Bound Molybdenum-Quinonoid Complexes.","Journal of the American Chemical Society","2015","137","4","1458","1464","10.1021/ja5100405","","","0.71073","MoKα","","0.0564","0.0354","","","0.0724","0.079","","","","","","1.033","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123389","12.5114","0.0011","15.1452","0.0014","15.6129","0.0014","64.704","0.003","81.599","0.003","85.342","0.003","2645.5","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C108 H92 B2 Cl4 F30 Mo2 O12 P4 -","- C108 H92 B2 Cl4 F30 Mo2 O12 P4 -","- C108 H92 B2 Cl4 F30 Mo2 O12 P4 -","1","0.5","","Henthorn, Justin T.; Lin, Sibo; Agapie, Theodor","Combination of Redox-Active Ligand and Lewis Acid for Dioxygen Reduction with π-Bound Molybdenum-Quinonoid Complexes.","Journal of the American Chemical Society","2015","137","4","1458","1464","10.1021/ja5100405","","","0.71073","MoKα","","0.1379","0.0576","","","0.1258","0.1453","","","","","","0.901","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123390","15.4116","0.0015","17.8993","0.0018","29.421","0.003","90","","98.755","0.003","90","","8021.4","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H56 B2 N4 -","- C46 H56 B2 N4 -","- C368 H448 B16 N32 -","8","1","","Böhnke, Julian; Braunschweig, Holger; Constantinidis, Philipp; Dellermann, Theresa; Ewing, William C.; Fischer, Ingo; Hammond, Kai; Hupp, Florian; Mies, Jan; Schmitt, Hans-Christian; Vargas, Alfredo","Experimental assessment of the strengths of B-B triple bonds.","Journal of the American Chemical Society","2015","137","5","1766","1769","10.1021/ja5116293","","","0.71073","MoKα","","0.0874","0.0517","","","0.1264","0.1479","","","","","","0.977","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123391","13.4503","0.0013","19.978","0.0012","20.98","0.002","70.61","0.02","74.74","0.02","74.356","0.017","5026.3","1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C180 H156 F20 N14 O2 Zn2 -","- C180 H156 F20 N14 O2 Zn2 -","- C180 H156 F20 N14 O2 Zn2 -","1","0.5","","Mori, Hirotaka; Tanaka, Takayuki; Lee, Sangsu; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","meso-meso Linked Porphyrin-[26]Hexaphyrin-Porphyrin Hybrid Arrays and Their Triply Linked Tapes Exhibiting Strong Absorption Bands in the NIR Region.","Journal of the American Chemical Society","2015","137","5","2097","2106","10.1021/ja5130034","","","1.54187","CuKα","","0.0924","0.0837","","","0.2436","0.258","","","","","","1.035","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123392","16.251","0.0003","25.4128","0.0005","20.1142","0.0004","90","","96.7421","0.0008","90","","8249.4","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C192 H188.94 F20 N14 Zn2 -","- C192 H188.944 F20 N14 Zn2 -","- C384 H377.888 F40 N28 Zn4 -","2","0.5","","Mori, Hirotaka; Tanaka, Takayuki; Lee, Sangsu; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","meso-meso Linked Porphyrin-[26]Hexaphyrin-Porphyrin Hybrid Arrays and Their Triply Linked Tapes Exhibiting Strong Absorption Bands in the NIR Region.","Journal of the American Chemical Society","2015","137","5","2097","2106","10.1021/ja5130034","","","1.54187","CuKα","","0.1292","0.0786","","","0.1976","0.2434","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123393","14.6906","0.0003","19.7967","0.0004","28.3779","0.0007","78.8254","0.0013","78.9164","0.0011","75.3523","0.0012","7743.7","0.3","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C165.71 H143.95 Cl12.98 F20 N14 Ni2 O2.73 -","- C165.71 H143.964 Cl12.982 F20 N14 Ni2 O2.728 -","- C331.42 H287.928 Cl25.964 F40 N28 Ni4 O5.456 -","2","1","","Mori, Hirotaka; Tanaka, Takayuki; Lee, Sangsu; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","meso-meso Linked Porphyrin-[26]Hexaphyrin-Porphyrin Hybrid Arrays and Their Triply Linked Tapes Exhibiting Strong Absorption Bands in the NIR Region.","Journal of the American Chemical Society","2015","137","5","2097","2106","10.1021/ja5130034","","","1.54187","CuKα","","0.3301","0.128","","","0.2813","0.3748","","","","","","1.08","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123394","16.3245","0.0003","25.3066","0.0005","20.3499","0.0004","90","","97.9906","0.0007","90","","8325.3","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C192 H184.96 F20 N14 Ni2 -","- C192 H184.96 F20 N14 Ni2 -","- C384 H369.92 F40 N28 Ni4 -","2","0.5","","Mori, Hirotaka; Tanaka, Takayuki; Lee, Sangsu; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","meso-meso Linked Porphyrin-[26]Hexaphyrin-Porphyrin Hybrid Arrays and Their Triply Linked Tapes Exhibiting Strong Absorption Bands in the NIR Region.","Journal of the American Chemical Society","2015","137","5","2097","2106","10.1021/ja5130034","","","1.54187","CuKα","","0.114","0.0818","","","0.2272","0.2589","","","","","","1.025","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123395","14.4663","0.0014","20.885","0.002","22.059","0.002","77.33","0.02","75.06","0.03","71.62","0.03","6041.2","1.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C178 H156 F20 N14 Ni2 -","- C178 H156 F20 N14 Ni2 -","- C178 H156 F20 N14 Ni2 -","1","0.5","","Mori, Hirotaka; Tanaka, Takayuki; Lee, Sangsu; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","meso-meso Linked Porphyrin-[26]Hexaphyrin-Porphyrin Hybrid Arrays and Their Triply Linked Tapes Exhibiting Strong Absorption Bands in the NIR Region.","Journal of the American Chemical Society","2015","137","5","2097","2106","10.1021/ja5130034","","","1.54187","CuKα","","0.1173","0.1076","","","0.3208","0.343","","","","","","1.002","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123396","11.8627","0.0011","21.3198","0.0018","22.347","0.002","111.383","0.005","102.126","0.005","100.709","0.005","4926.9","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C200 H138 Cd4 Co2 F24 N24 O26 S8 -","- C200 H138 Cd4 Co2 F24 N24 O27 S8 -","- C200 H138 Cd4 Co2 F24 N24 O27 S8 -","1","0.5","","Gan, Quan; Ronson, Tanya K.; Vosburg, David A.; Thoburn, John D.; Nitschke, Jonathan R.","Cooperative loading and release behavior of a metal-organic receptor.","Journal of the American Chemical Society","2015","137","5","1770","1773","10.1021/ja5120437","","","0.6889","","","0.1302","0.1066","","","0.2842","0.3094","","","","","","1.351","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123397","41.257","0.003","18.8357","0.0015","33.336","0.003","90","","126.448","0.004","90","","20838","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C174 H120 Cd4 Co2 F24 N18 O24 S8 -","- C174 H120 Cd4 Co2 F24 N18 O24 S8 -","- C696 H480 Cd16 Co8 F96 N72 O96 S32 -","4","0.5","","Gan, Quan; Ronson, Tanya K.; Vosburg, David A.; Thoburn, John D.; Nitschke, Jonathan R.","Cooperative loading and release behavior of a metal-organic receptor.","Journal of the American Chemical Society","2015","137","5","1770","1773","10.1021/ja5120437","","","0.71073","MoKα","","0.1518","0.1095","","","0.288","0.3159","","","","","","1.153","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123398","24.435","0.002","28.08","0.002","37.608","0.003","90.018","0.004","99.198","0.004","106.888","0.003","24344","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C190 H136 Cd4 Co2 F48 N30 O33 S16 -","- C185.475 H132 Cd4 Co2 F34.05 N27.55 O24.1 S11.475 -","- C741.9 H528 Cd16 Co8 F136.2 N110.2 O96.3998 S45.9 -","4","2","","Gan, Quan; Ronson, Tanya K.; Vosburg, David A.; Thoburn, John D.; Nitschke, Jonathan R.","Cooperative loading and release behavior of a metal-organic receptor.","Journal of the American Chemical Society","2015","137","5","1770","1773","10.1021/ja5120437","","","0.6889","synchrotron","","0.1683","0.1325","","","0.3459","0.3724","","","","","","1.213","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123399","39.838","0.0019","18.8938","0.0008","33.233","0.0016","90","","126.262","0.002","90","","20169.5","1.7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C174 H120 Cd4 Co2 F24 N18 O24 S8 -","- C174 H120 Cd4 Co2 F24 N18 O24 S8 -","- C696 H480 Cd16 Co8 F96 N72 O96 S32 -","4","0.5","","Gan, Quan; Ronson, Tanya K.; Vosburg, David A.; Thoburn, John D.; Nitschke, Jonathan R.","Cooperative loading and release behavior of a metal-organic receptor.","Journal of the American Chemical Society","2015","137","5","1770","1773","10.1021/ja5120437","","","0.6889","synchrotron","","0.1504","0.1301","","","0.3459","0.3659","","","","","","1.182","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123400","9.98013","0.00019","40.017","0.0006","10.6433","0.0002","90","","114.523","0.002","90","","3867.23","0.13","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H39 I N P2 Pd -","- C47 H39 I N P2 Pd -","- C188 H156 I4 N4 P8 Pd4 -","4","1","","Andersen, Thomas L.; Friis, Stig D.; Audrain, Hélène; Nordeman, Patrik; Antoni, Gunnar; Skrydstrup, Troels","Efficient (11)C-Carbonylation of Isolated Aryl Palladium Complexes for PET: Application to Challenging Radiopharmaceutical Synthesis.","Journal of the American Chemical Society","2015","137","4","1548","1555","10.1021/ja511441u","","","0.71073","MoKα","","0.0576","0.0515","","","0.0961","0.0978","","","","","","1.344","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123401","12.0643","0.0004","14.4213","0.0005","16.233","0.0005","63.724","0.003","70.613","0.003","66.142","0.003","2275.44","0.15","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C55 H52 I N O P2 Pd -","- C55 H52 I N O P2 Pd -","- C110 H104 I2 N2 O2 P4 Pd2 -","2","1","","Andersen, Thomas L.; Friis, Stig D.; Audrain, Hélène; Nordeman, Patrik; Antoni, Gunnar; Skrydstrup, Troels","Efficient (11)C-Carbonylation of Isolated Aryl Palladium Complexes for PET: Application to Challenging Radiopharmaceutical Synthesis.","Journal of the American Chemical Society","2015","137","4","1548","1555","10.1021/ja511441u","","x-ray","0.71073","MoKα","","0.1085","0.0867","","","0.2516","0.2753","","","","","","1.056","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123402","10.9999","0.0003","12.0363","0.0004","20.4093","0.0007","82.131","0.003","81.984","0.003","74.532","0.003","2564.72","0.15","159","","159","","","","","","","","","9","P -1","-P 1","2","","","","- C53 H42 Cl6 F I N2 O P2 Pd -","- C53 H42 Cl6 F I N2 O P2 Pd -","- C106 H84 Cl12 F2 I2 N4 O2 P4 Pd2 -","2","1","","Andersen, Thomas L.; Friis, Stig D.; Audrain, Hélène; Nordeman, Patrik; Antoni, Gunnar; Skrydstrup, Troels","Efficient (11)C-Carbonylation of Isolated Aryl Palladium Complexes for PET: Application to Challenging Radiopharmaceutical Synthesis.","Journal of the American Chemical Society","2015","137","4","1548","1555","10.1021/ja511441u","","x-ray","0.71073","MoKα","","0.0861","0.0614","","","0.1628","0.1863","","","","","","1.06","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123403","81.353","0.008","11.6324","0.001","17.8269","0.0018","90","","100.173","0.008","90","","16605","3","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H37 Cl2 I O3 P2 Pd -","- C46 H37 Cl2 I O3 P2 Pd -","- C736 H592 Cl32 I16 O48 P32 Pd16 -","16","4","","Andersen, Thomas L.; Friis, Stig D.; Audrain, Hélène; Nordeman, Patrik; Antoni, Gunnar; Skrydstrup, Troels","Efficient (11)C-Carbonylation of Isolated Aryl Palladium Complexes for PET: Application to Challenging Radiopharmaceutical Synthesis.","Journal of the American Chemical Society","2015","137","4","1548","1555","10.1021/ja511441u","","x-ray","0.56086","AgKα","","0.0426","0.0359","","","0.0769","0.0806","","","","","","1.074","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123404","8.2721","0.001","11.0861","0.0013","40.398","0.005","90","","90","","90","","3704.7","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C48 H54 O4 -","- C48 H54 O4 -","- C192 H216 O16 -","4","1","","Pérez-Estrada, Salvador; Rodr\?íguez-Molina, Braulio; Xiao, Leilei; Santillan, Rosa; Jiménez-Osés, Gonzalo; Houk, K. N.; Garcia-Garibay, Miguel A","Thermodynamic Evaluation of Aromatic CH/π Interactions and Rotational Entropy in a Molecular Rotor.","Journal of the American Chemical Society","2015","137","6","2175","2178","10.1021/ja512053t","","","0.71073","MoKα","","0.0748","0.0484","","","0.0938","0.1035","","","","","","1.02","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123405","28.63","0.02","36.9","0.03","29.71","0.02","90","","115.111","0.015","90","","28421","4","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C120.74 H125.74 Cl2.22 N10 Ni2.5 -","- C120.738 H125.738 Cl2.214 N10 Ni2.5 -","- C965.904 H1005.9 Cl17.712 N80 Ni20 -","8","1","","Jiang, Hua-Wei; Tanaka, Takayuki; Mori, Hirotaka; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","Cyclic 2,12-porphyrinylene nanorings as a porphyrin analogue of cycloparaphenylenes.","Journal of the American Chemical Society","2015","137","6","2219","2222","10.1021/ja513102m","","","1.54187","CuKα","","0.1406","0.1152","","","0.311","0.3422","","","","","","1.091","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123406","21.5736","0.0004","29.4153","0.0005","25.8483","0.0005","90","","97.4896","0.0008","90","","16263.2","0.5","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C144 H150 Cl0 N12 Ni3 -","- C144 H150 N12 Ni3 -","- C576 H600 N48 Ni12 -","4","1","","Jiang, Hua-Wei; Tanaka, Takayuki; Mori, Hirotaka; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","Cyclic 2,12-porphyrinylene nanorings as a porphyrin analogue of cycloparaphenylenes.","Journal of the American Chemical Society","2015","137","6","2219","2222","10.1021/ja513102m","","","1.54187","CuKα","","0.1982","0.0934","","","0.2073","0.2422","","","","","","1.034","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123407","49.5249","0.001","19.1034","0.0004","31.0992","0.0006","90","","125.822","0.0008","90","","23857.1","0.9","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C192 H200 N16 Ni4 -","- C192 H200 N16 Ni4 -","- C768 H800 N64 Ni16 -","4","0.5","","Jiang, Hua-Wei; Tanaka, Takayuki; Mori, Hirotaka; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","Cyclic 2,12-porphyrinylene nanorings as a porphyrin analogue of cycloparaphenylenes.","Journal of the American Chemical Society","2015","137","6","2219","2222","10.1021/ja513102m","","","0.71073","MoKα","","0.2111","0.0788","","","0.1362","0.1632","","","","","","1.041","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123408","9.7066","0.0001","18.4257","0.0002","20.1642","0.0002","90","","90","","90","","3606.39","0.06","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-N-isopropyl-N-methyl-2-ammonium-2'-bis(pentafluorophenyl)- hydroborate-1,1'-binaphthalen","","- C43 H32 B F10 N -","- C43 H32 B F10 N -","- C172 H128 B4 F40 N4 -","4","1","","Lindqvist, Markus; Borre, Katja; Axenov, Kirill; Kótai, Bianka; Nieger, Martin; Leskelä, Markku; Pápai, Imre; Repo, Timo","Chiral molecular tweezers: synthesis and reactivity in asymmetric hydrogenation.","Journal of the American Chemical Society","2015","137","12","4038","4041","10.1021/ja512658m","","","1.54178","CuKα","","0.0354","0.0342","","","0.0883","0.0899","","","","","","1.042","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123409","9.7075","0.0001","18.431","0.0002","20.1405","0.0003","90","","90","","90","","3603.52","0.08","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-N-isopropyl-N-methyl-2-ammonium-2'-bis(pentafluorophenyl)- hydroborate-1,1'-binaphthalen","","- C43 H32 B F10 N -","- C43 H32 B F10 N -","- C172 H128 B4 F40 N4 -","4","1","","Lindqvist, Markus; Borre, Katja; Axenov, Kirill; Kótai, Bianka; Nieger, Martin; Leskelä, Markku; Pápai, Imre; Repo, Timo","Chiral molecular tweezers: synthesis and reactivity in asymmetric hydrogenation.","Journal of the American Chemical Society","2015","137","12","4038","4041","10.1021/ja512658m","","","1.54178","CuKα","","0.0398","0.0386","","","0.1009","0.1025","","","","","","1.023","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123410","8.3141","0.0003","7.0195","0.0004","11.3118","0.0005","90","","102.354","0.003","90","","644.88","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidinium chloride","","- C14 H20 Cl N -","- C14 H20 Cl N -","- C28 H40 Cl2 N2 -","2","1","","Lindqvist, Markus; Borre, Katja; Axenov, Kirill; Kótai, Bianka; Nieger, Martin; Leskelä, Markku; Pápai, Imre; Repo, Timo","Chiral molecular tweezers: synthesis and reactivity in asymmetric hydrogenation.","Journal of the American Chemical Society","2015","137","12","4038","4041","10.1021/ja512658m","","","0.71073","MoKα","","0.0254","0.024","","","0.0589","0.0597","","","","","","1.034","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123411","14.6472","0.0003","11.2093","0.0003","22.8299","0.0006","90","","110.334","0.001","90","","3514.74","0.15","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Cl Ir O P2 S2 -","- C36 H44 Cl Ir O P2 S2 -","- C144 H176 Cl4 Ir4 O4 P8 S8 -","4","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier","Ligand Cooperation in the Formal Hydrogenation of N2O Using a PCsp2P Iridium Pincer Complex.","Journal of the American Chemical Society","2015","137","6","2187","2190","10.1021/ja512602m","","","0.71073","MoKα","","0.0598","0.0448","","","0.0873","0.0954","","","","","","1.094","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123412","15.5412","0.0005","16.1059","0.0005","24.1122","0.0008","90","","90","","90","","6035.4","0.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H38 Cl Ir O P2 S2 -","- C29 H38 Cl Ir O P2 S2 -","- C232 H304 Cl8 Ir8 O8 P16 S16 -","8","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier","Ligand Cooperation in the Formal Hydrogenation of N2O Using a PCsp2P Iridium Pincer Complex.","Journal of the American Chemical Society","2015","137","6","2187","2190","10.1021/ja512602m","","","0.71073","MoKα","","0.0925","0.0652","","","0.1422","0.1586","","","","","","1.1","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123413","8.6819","0.0005","8.6819","0.0005","8.7423","0.0007","90","","90","","120","","570.67","0.07","100","2","100","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- Al3 B3 F O10 Rb3 -","- Al3 B3 F O10 Rb3 -","- Al6 B6 F2 O20 Rb6 -","2","0.333333","","Zhao, Sangen; Gong, Pifu; Luo, Siyang; Liu, Sijie; Li, Lina; Asghar, Muhammad Adnan; Khan, Tariq; Hong, Maochun; Lin, Zheshuai; Luo, Junhua","Beryllium-Free Rb3Al3B3O10F with Reinforced Interlayer Bonding as a Deep-Ultraviolet Nonlinear Optical Crystal.","Journal of the American Chemical Society","2015","137","6","2207","2210","10.1021/ja5128314","","","0.71073","MoKα","","0.0424","0.0415","","","0.0974","0.0988","","","","","","1.221","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123414","8.2161","0.0016","8.7777","0.0018","17.239","0.003","90","","92.12","0.03","90","","1242.4","0.4","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H20 Br Cl N2 O7 S -","- C23 H20 Br Cl N2 O7 S -","- C46 H40 Br2 Cl2 N4 O14 S2 -","2","1","","Wang, Sinan; Li, Xiangmin; Liu, Hongwei; Xu, Li; Zhuang, Jinchen; Li, Jian; Li, Hao; Wang, Wei","Organocatalytic enantioselective direct additions of aldehydes to 4-vinylpyridines and electron-deficient vinylarenes and their synthetic applications.","Journal of the American Chemical Society","2015","137","6","2303","2310","10.1021/ja511143b","","","1.54178","CuKα","","0.0272","0.0267","","","0.0711","0.0716","","","","","","1.035","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123415","7.4326","0.0013","8.4705","0.0015","8.8458","0.0015","74.143","0.003","74.315","0.003","83.209","0.003","515.18","0.16","130","","130","","","","","","","","","6","P 1","P 1","1","","","","- C22 H22 Br N O3 S -","- C22 H22 Br N O3 S -","- C22 H22 Br N O3 S -","1","1","","Wang, Sinan; Li, Xiangmin; Liu, Hongwei; Xu, Li; Zhuang, Jinchen; Li, Jian; Li, Hao; Wang, Wei","Organocatalytic enantioselective direct additions of aldehydes to 4-vinylpyridines and electron-deficient vinylarenes and their synthetic applications.","Journal of the American Chemical Society","2015","137","6","2303","2310","10.1021/ja511143b","","","0.71073","MoKα","","0.0409","0.0311","","","0.062","0.065","","","","","","0.806","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123416","12.3722","0.0016","4.0997","0.0007","9.3435","0.0014","90","","90","","90","","473.92","0.12","293","2","293","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- Au Bi Pb2 S3 Te2 -","- Au Bi Pb2 S3 Te2 -","- Au2 Bi2 Pb4 S6 Te4 -","2","0.25","","Fang, Lei; Im, Jino; Stoumpos, Constantinos C.; Shi, Fengyuan; Dravid, Vinayak; Leroux, Maxime; Freeman, Arthur J.; Kwok, Wai-Kwong; Chung, Duck Young; Kanatzidis, Mercouri","Two-Dimensional Mineral [Pb2BiS3][AuTe2]: High-Mobility Charge Carriers in Single-Atom-Thick Layers.","Journal of the American Chemical Society","2015","137","6","2311","2317","10.1021/ja5111688","","","0.71073","MoKα","","0.0867","0.0632","","","0.1465","0.1565","","","","","","1.053","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123417","16.2695","0.0007","15.9492","0.0007","16.5922","0.0007","90","","110.464","0.003","90","","4033.7","0.3","100","2","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H72 F24 N12 P4 -","- C76 H72 F24 N12 P4 -","- C152 H144 F48 N24 P8 -","2","0.5","","Barnes, Jonathan C.; Dale, Edward J.; Prokofjevs, Aleksandrs; Narayanan, Ashwin; Gibbs-Hall, Ian C; Juríček, Michal; Stern, Charlotte L.; Sarjeant, Amy A.; Botros, Youssry Y.; Stupp, Samuel I.; Stoddart, J. Fraser","Semiconducting single crystals comprising segregated arrays of complexes of c60.","Journal of the American Chemical Society","2015","137","6","2392","2399","10.1021/ja512959g","","","1.54178","CuKα","","0.1197","0.079","","","0.2104","0.2566","","","","","","1.021","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123418","23.0809","0.0005","23.1311","0.0006","38.3125","0.0009","90","","94.8563","0.0015","90","","20381.1","0.8","100","2","99.99","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C236 H176 F48 N8 O P8 -","- C236 H176 F48 N8 O P8 -","- C944 H704 F192 N32 O4 P32 -","4","1","","Barnes, Jonathan C.; Dale, Edward J.; Prokofjevs, Aleksandrs; Narayanan, Ashwin; Gibbs-Hall, Ian C; Juríček, Michal; Stern, Charlotte L.; Sarjeant, Amy A.; Botros, Youssry Y.; Stupp, Samuel I.; Stoddart, J. Fraser","Semiconducting single crystals comprising segregated arrays of complexes of c60.","Journal of the American Chemical Society","2015","137","6","2392","2399","10.1021/ja512959g","","","1.54178","CuKα","","0.1376","0.1038","","","0.2819","0.3033","","","","","","1.03","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123419","17.5692","0.0004","19.4448","0.0005","20.6","0.0005","83.1741","0.0017","65.6972","0.0015","82.9265","0.0016","6347","0.3","100","2","99.94","","","","","","","","","6","P -1","-P 1","2","","","","- C168 H110 F24 N6 O2 P4 -","- C168 H110 F24 N6 O2 P4 -","- C336 H220 F48 N12 O4 P8 -","2","1","","Barnes, Jonathan C.; Dale, Edward J.; Prokofjevs, Aleksandrs; Narayanan, Ashwin; Gibbs-Hall, Ian C; Juríček, Michal; Stern, Charlotte L.; Sarjeant, Amy A.; Botros, Youssry Y.; Stupp, Samuel I.; Stoddart, J. Fraser","Semiconducting single crystals comprising segregated arrays of complexes of c60.","Journal of the American Chemical Society","2015","137","6","2392","2399","10.1021/ja512959g","","","1.54178","CuKα","","0.1299","0.1091","","","0.2692","0.2826","","","","","","1.053","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123420","15.097","0.002","7.8518","0.0014","7.2255","0.0012","90","","100.1","0.005","90","","843.2","0.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 K N O5 S -","- C6 H4 K N O5 S -","- C24 H16 K4 N4 O20 S4 -","4","1","","Zhang, Yuexia; Du, Yu; Huang, Zhijian; Xu, Jianfeng; Wu, Xingxing; Wang, Yuhuang; Wang, Ming; Yang, Song; Webster, Richard D.; Chi, Yonggui Robin","N-Heterocyclic Carbene-Catalyzed Radical Reactions for Highly Enantioselective β-Hydroxylation of Enals.","Journal of the American Chemical Society","2015","137","7","2416","2419","10.1021/ja511371a","","","0.71073","MoKα","","0.0791","0.0412","","","0.0761","0.0887","","","","","","1.027","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123421","24.23","0.002","24.193","0.002","17.0847","0.0016","90","","92.957","0.003","90","","10001.7","1.5","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C42 H25 O13 Zn4 -","- C42 H25 O13 Zn4 -","- C168 H100 O52 Zn16 -","4","0.5","","Williams, Derek E.; Dolgopolova, Ekaterina A.; Pellechia, Perry J.; Palukoshka, Andrei; Wilson, Thomas J.; Tan, Rui; Maier, Josef M.; Greytak, Andrew B.; Smith, Mark D.; Krause, Jeanette A.; Shustova, Natalia B.","Mimic of the Green Fluorescent Protein β-Barrel: Photophysics and Dynamics of Confined Chromophores Defined by a Rigid Porous Scaffold.","Journal of the American Chemical Society","2015","137","6","2223","2226","10.1021/ja5131269","","","1.0332","synchrotron","","0.1003","0.0533","","","0.1451","0.1585","","","","","","0.816","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123422","24.117","0.002","24.219","0.002","17.0669","0.0017","90","","92.381","0.002","90","","9960","1.5","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C42 H24.5 O13.25 Zn4 -","- C42 H24 O13.25 Zn4 -","- C168 H96 O53 Zn16 -","4","0.5","","Williams, Derek E.; Dolgopolova, Ekaterina A.; Pellechia, Perry J.; Palukoshka, Andrei; Wilson, Thomas J.; Tan, Rui; Maier, Josef M.; Greytak, Andrew B.; Smith, Mark D.; Krause, Jeanette A.; Shustova, Natalia B.","Mimic of the Green Fluorescent Protein β-Barrel: Photophysics and Dynamics of Confined Chromophores Defined by a Rigid Porous Scaffold.","Journal of the American Chemical Society","2015","137","6","2223","2226","10.1021/ja5131269","","","0.71073","MoKα","","0.0967","0.0656","","","0.1927","0.205","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123423","16.1203","0.0006","22.1653","0.0008","7.4539","0.0002","90","","99.215","0.002","90","","2628.99","0.15","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 N O -","- C33 H33 N O -","- C132 H132 N4 O4 -","4","1","","Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc","C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.","Journal of the American Chemical Society","2015","137","7","2448","2451","10.1021/ja512728f","","","0.71073","MoKα","","0.0903","0.0721","","0.2136","0.1919","0.2124","","","","","","1.0559","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123424","8.9934","0.0002","10.5133","0.0002","14.3208","0.0003","72.53","0.001","74.383","0.001","68.732","0.001","1183.88","0.04","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N O3 -","- C30 H25 N O3 -","- C60 H50 N2 O6 -","2","1","","Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc","C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.","Journal of the American Chemical Society","2015","137","7","2448","2451","10.1021/ja512728f","","","0.71073","MoKα","","0.0569","0.0474","","","0.127","0.1379","","","","","","1.046","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123425","9.3127","0.0003","9.9133","0.0003","13.4051","0.0003","78.804","0.002","81.019","0.002","72.871","0.002","1153.68","0.06","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H24 N2 O -","- C30 H24 N2 O -","- C60 H48 N4 O2 -","2","1","","Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc","C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.","Journal of the American Chemical Society","2015","137","7","2448","2451","10.1021/ja512728f","","","0.71073","MoKα","","0.0638","0.0471","","","0.1227","0.1359","","","","","","1.027","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123426","7.8807","0.0001","12.0321","0.0002","13.5012","0.0002","65.898","0.001","76.679","0.001","87.044","0.001","1135.85","0.03","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H25 N O -","- C29 H25 N O -","- C58 H50 N2 O2 -","2","1","","Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc","C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.","Journal of the American Chemical Society","2015","137","7","2448","2451","10.1021/ja512728f","","","1.54178","CuKα","","0.0415","0.0391","","","0.0992","0.1019","","","","","","1.036","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123427","8.8899","0.0004","10.429","0.0004","13.6311","0.0006","93.185","0.002","95.814","0.002","110.902","0.002","1168.81","0.09","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 N O2 -","- C30 H27 N O2 -","- C60 H54 N2 O4 -","2","1","","Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc","C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.","Journal of the American Chemical Society","2015","137","7","2448","2451","10.1021/ja512728f","","","1.54178","CuKα","","0.0399","0.0382","","0.0839","0.0835","0.0837","","","","","","0.9998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123428","9.2154","0.0002","10.0505","0.0002","13.3037","0.0003","80.098","0.002","81.359","0.002","70.915","0.002","1141.24","0.04","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 F N O -","- C29 H24 F N O -","- C58 H48 F2 N2 O2 -","2","1","","Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc","C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.","Journal of the American Chemical Society","2015","137","7","2448","2451","10.1021/ja512728f","","","0.71073","MoKα","","0.0595","0.0491","","","0.1358","0.1535","","","","","","1.061","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123429","8.3905","0.0001","11.9981","0.0002","12.9348","0.0002","69.247","0.001","80.694","0.001","84.584","0.001","1200.66","0.03","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","","","- C31 H27 N O -","- C31 H27 N O -","- C62 H54 N2 O2 -","2","1","","Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc","C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.","Journal of the American Chemical Society","2015","137","7","2448","2451","10.1021/ja512728f","","","0.71073","MoKα","","0.0714","0.0465","","","0.1164","0.131","","","","","","1.032","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123430","9.8742","0.0016","10.1722","0.0016","10.841","0.0017","70.213","0.003","63.296","0.003","69.15","0.003","888","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 F O2 S -","- C20 H23 F O2 S -","- C40 H46 F2 O4 S2 -","2","1","","Yuan, Zheliang; Wang, Hao-Yang; Mu, Xin; Chen, Pinhong; Guo, Yin-Long; Liu, Guosheng","Highly selective pd-catalyzed intermolecular fluorosulfonylation of styrenes.","Journal of the American Chemical Society","2015","137","7","2468","2471","10.1021/ja5131676","","","0.71073","MoKα","","0.0788","0.0668","","","0.1844","0.1979","","","","","","1.057","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123431","11.3193","0.001","9.9646","0.0008","15.9064","0.0014","90","","99.141","0.002","90","","1771.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 F O2 S -","- C19 H23 F O2 S -","- C76 H92 F4 O8 S4 -","4","1","","Yuan, Zheliang; Wang, Hao-Yang; Mu, Xin; Chen, Pinhong; Guo, Yin-Long; Liu, Guosheng","Highly selective pd-catalyzed intermolecular fluorosulfonylation of styrenes.","Journal of the American Chemical Society","2015","137","7","2468","2471","10.1021/ja5131676","","","0.71073","MoKα","","0.0722","0.0564","","","0.1569","0.1699","","","","","","1.037","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123432","5.7504","0.001","10.7595","0.0018","11.1873","0.0018","85.696","0.004","89.177","0.004","84.614","0.004","687.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Br F O2 S -","- C14 H12 Br F O2 S -","- C28 H24 Br2 F2 O4 S2 -","2","1","","Yuan, Zheliang; Wang, Hao-Yang; Mu, Xin; Chen, Pinhong; Guo, Yin-Long; Liu, Guosheng","Highly selective pd-catalyzed intermolecular fluorosulfonylation of styrenes.","Journal of the American Chemical Society","2015","137","7","2468","2471","10.1021/ja5131676","","","0.71073","MoKα","","0.1177","0.0596","","","0.1456","0.1791","","","","","","1.013","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123433","15.8781","0.0018","8.5321","0.0007","18.168","0.002","90","","110.629","0.005","90","","2303.5","0.4","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H19 N O4 S2 -","- C28 H19 N O4 S2 -","- C112 H76 N4 O16 S8 -","4","1","","Kawakami, Takahiro; Murakami, Kei; Itami, Kenichiro","Catalytic C-h imidation of aromatic cores of functional molecules: ligand-accelerated cu catalysis and application to materials- and biology-oriented aromatics.","Journal of the American Chemical Society","2015","137","7","2460","2463","10.1021/ja5130012","","","0.71075","MoKα","","0.1052","0.0866","","","0.1959","0.2076","","","","","","1.084","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123434","11.944","0.003","37.285","0.008","12.625","0.003","90","","115.775","0.0017","90","","5063","2","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C129 H77 Cl3 N4 O16 S8 -","- C129 H77 Cl3 N4 O16 S8 -","- C258 H154 Cl6 N8 O32 S16 -","2","1","","Kawakami, Takahiro; Murakami, Kei; Itami, Kenichiro","Catalytic C-h imidation of aromatic cores of functional molecules: ligand-accelerated cu catalysis and application to materials- and biology-oriented aromatics.","Journal of the American Chemical Society","2015","137","7","2460","2463","10.1021/ja5130012","","","0.71075","MoKα","","0.0389","0.0366","","","0.0868","0.0882","","","","","","1.027","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123435","8.337","0.0011","11.6192","0.0018","11.8076","0.0016","113.145","0.003","93.8535","0.0006","110.66","0.002","955.5","0.2","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N O5 S3 -","- C19 H17 N O5 S3 -","- C38 H34 N2 O10 S6 -","2","1","","Kawakami, Takahiro; Murakami, Kei; Itami, Kenichiro","Catalytic C-h imidation of aromatic cores of functional molecules: ligand-accelerated cu catalysis and application to materials- and biology-oriented aromatics.","Journal of the American Chemical Society","2015","137","7","2460","2463","10.1021/ja5130012","","","0.71075","MoKα","","0.0265","0.0236","","","0.0621","0.0634","","","","","","1.049","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123436","11.2023","0.0002","18.1981","0.0004","20.3347","0.0004","90","","90","","90","","4145.44","0.14","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H48 Fe N6 O2 Si -","- C47 H48 Fe N6 O2 Si -","- C188 H192 Fe4 N24 O8 Si4 -","4","1","","Bleith, Tim; Wadepohl, Hubert; Gade, Lutz H.","Iron achieves noble metal reactivity and selectivity: highly reactive and enantioselective iron complexes as catalysts in the hydrosilylation of ketones.","Journal of the American Chemical Society","2015","137","7","2456","2459","10.1021/ja512986m","","x-ray","0.71073","MoKα","","0.0682","0.0481","","","0.1047","0.1125","","","","","","1.052","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123437","38.232","0.0004","10.10328","0.00011","10.11886","0.00012","90","","94.4473","0.001","90","","3896.83","0.08","120","1","120","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C46 H41 Fe N5 O3 -","- C46 H41 Fe N5 O3 -","- C184 H164 Fe4 N20 O12 -","4","1","","Bleith, Tim; Wadepohl, Hubert; Gade, Lutz H.","Iron achieves noble metal reactivity and selectivity: highly reactive and enantioselective iron complexes as catalysts in the hydrosilylation of ketones.","Journal of the American Chemical Society","2015","137","7","2456","2459","10.1021/ja512986m","","x-ray","0.71073","MoKα","","0.0429","0.041","","","0.0942","0.095","","","","","","1.17","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123438","13.8855","0.0007","19.3733","0.0009","8.1757","0.0004","90","","109.729","0.0016","90","","2070.23","0.18","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 N2 S2 -","- C25 H22 N2 S2 -","- C100 H88 N8 S8 -","4","0.5","","Herder, Martin; Schmidt, Bernd M.; Grubert, Lutz; Pätzel, Michael; Schwarz, Jutta; Hecht, Stefan","Improving the fatigue resistance of diarylethene switches.","Journal of the American Chemical Society","2015","137","7","2738","2747","10.1021/ja513027s","","","0.71073","MoKα","","0.0357","0.0339","","","0.0892","0.0909","","","","","","1.048","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123439","11.787","0.004","6.031","0.002","15.094","0.004","90","","111.35","0.02","90","","999.4","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 Br N2 O2 -","- C20 H27 Br N2 O2 -","- C40 H54 Br2 N4 O4 -","2","1","","Ruiz Espelt, Laura; McPherson, Iain S.; Wiensch, Eric M.; Yoon, Tehshik P.","Enantioselective Conjugate Additions of α-Amino Radicals via Cooperative Photoredox and Lewis Acid Catalysis.","Journal of the American Chemical Society","2015","137","7","2452","2455","10.1021/ja512746q","","","1.54178","CuKα","","0.0317","0.0314","","","0.085","0.0854","","","","","","1.085","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123440","6.426","0.002","18.229","0.007","20.879","0.007","90","","90","","90","","2445.8","1.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 Br N2 O3 -","- C26 H31 Br N2 O3 -","- C104 H124 Br4 N8 O12 -","4","1","","Ruiz Espelt, Laura; McPherson, Iain S.; Wiensch, Eric M.; Yoon, Tehshik P.","Enantioselective Conjugate Additions of α-Amino Radicals via Cooperative Photoredox and Lewis Acid Catalysis.","Journal of the American Chemical Society","2015","137","7","2452","2455","10.1021/ja512746q","","x-ray","0.71073","MoKα","","0.0484","0.0362","","","0.0721","0.076","","","","","","1.041","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123441","38.678","0.003","38.678","0.003","38.678","0.003","90","","90","","90","","57862","8","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C156 O32 Zr6 -","- C156 O32 Zr6 -","- C624 O128 Zr24 -","4","0.0208333","","Manna, Kuntal; Zhang, Teng; Greene, Francis X.; Lin, Wenbin","Bipyridine- and Phenanthroline-Based Metal-Organic Frameworks for Highly Efficient and Tandem Catalytic Organic Transformations via Directed C-H Activation.","Journal of the American Chemical Society","2015","137","7","2665","2673","10.1021/ja512478y","","","0.41328","","","0.1178","0.1126","","","0.2766","0.2798","","","","","","2.243","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123442","23.239","0.004","23.239","0.004","32.854","0.013","90","","90","","90","","17743","8","296","2","296","2","","","","","","","","4","I -4","I -4","82","","","","- C108 H76 O32 Zr6 -","- C108 O32 Zr6 -","- C216 O64 Zr12 -","2","0.25","","Manna, Kuntal; Zhang, Teng; Greene, Francis X.; Lin, Wenbin","Bipyridine- and Phenanthroline-Based Metal-Organic Frameworks for Highly Efficient and Tandem Catalytic Organic Transformations via Directed C-H Activation.","Journal of the American Chemical Society","2015","137","7","2665","2673","10.1021/ja512478y","","","0.41328","","","0.0975","0.0739","","","0.1802","0.1904","","","","","","1.153","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123443","37.1295","0.0019","37.1295","0.0019","30.052","0.0017","90","","90","","120","","35879","3","298","2","298","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","MOF-177-H","","","- C216 H72 F12 N0 O52 Zn16 -","- C216 H72 F12 O52 Zn16 -","- C432 H144 F24 O104 Zn32 -","2","0.166667","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1023","0.0859","","","0.2579","0.2731","","","","","","1.13","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123444","37.1842","0.0008","37.1842","0.0008","29.9546","0.0007","90","","90","","120","","35868.3","1.4","296","2","296","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","MOF-177-E","","","- C172.5 H115.5 O38 Zn8 -","- C172.5 H115.5 O38 Zn8 -","- C690 H462 O152 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1602","0.1344","","","0.3822","0.4024","","","","","","1.531","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123445","37.149","0.005","37.149","0.005","30.032","0.007","90","","90","","120","","35893","11","223","2","223","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","MOF-177-J","","","- C54 H36 N6 O13 Zn4 -","- C54 H36 N6 O13 Zn4 -","- C432 H288 N48 O104 Zn32 -","8","0.666667","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","0.9","","","0.1023","0.0812","","","0.2196","0.2367","","","","","","0.899","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123446","25.9639","0.0007","25.9639","0.0007","25.9639","0.0007","90","","90","","90","","17502.9","0.8","296","2","296","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C54 H18 F12 O13 Zn4 -","- C54 H18 F12 O13 Zn4 -","- C432 H144 F96 O104 Zn32 -","8","0.166667","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1097","0.0978","","","0.3111","0.3259","","","","","","1.36","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123447","36.78","0.013","36.78","0.013","29.9","0.011","90","","90","","120","","35029","2","296","2","296","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","MOF-177-G","","","- C78 H30 O13 Zn4 -","- C78 H30 O13 Zn4 -","- C624 H240 O104 Zn32 -","8","0.666667","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","0.7749","","","0.15","0.1247","","","0.3228","0.344","","","","","","1.309","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123448","37.09","0.004","37.09","0.004","29.987","0.004","90","","90","","120","","35725","7","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","MOF-177-K","","","- C121 H64.15 N4 O26 Zn8 -","- C120.33 H64.263 N4.02 O26 Zn8 -","- C481.32 H257.052 N16.08 O104 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1319","0.1157","","","0.3316","0.3489","","","","","","1.606","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123449","37.227","0.003","37.227","0.003","30.149","0.003","90","","90","","120","","36184","5","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","MOF-177-F","","","- C108 H36 F24 N0 O26 Zn8 -","- C108 H36 F24 O26 Zn8 -","- C432 H144 F96 O104 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1811","0.1268","","","0.3274","0.346","","","","","","1.308","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123450","37.099","0.005","37.099","0.005","30.042","0.005","90","","90","","120","","35808","9","298","2","298","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","MTV-MOF-177-AF1","","","- C54 H25.69 F3.8 O13 Zn4 -","- C54 H25.683 F3.804 O13 Zn4 -","- C432 H205.464 F30.432 O104 Zn32 -","8","0.666667","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.0899","0.08","","","0.2166","0.2237","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123451","37.083","0.0013","37.083","0.0013","30.0291","0.0011","90","","90","","120","","35762","2","298","2","298","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","MOF-177-I","","","- C114 H54 N0 O26 Zn8 -","- C123 H54 O26 Zn8 -","- C492 H216 O104 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1577","0.1133","","","0.3215","0.3511","","","","","","1.261","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123452","25.888","0.003","25.888","0.003","25.888","0.003","90","","90","","90","","17350","3","250","2","250","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","MOF-155-J","","","- C54 H36 N6 O13 Zn4 -","- C54 H36 N6 O13 Zn4 -","- C432 H288 N48 O104 Zn32 -","8","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","0.7","synchrotron","","0.0767","0.0709","","","0.2421","0.2502","","","","","","1.198","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123453","37.151","0.0003","37.151","0.0003","30.042","0.0007","90","","90","","120","","35908.8","0.9","296","2","296","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","MOF-177-D","","","- C115.5 H67.5 O33.5 Zn8 -","- C115.5 H67.5 O33.5 Zn8 -","- C462 H270 O134 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1315","0.097","","","0.2702","0.2944","","","","","","0.986","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123454","37.1916","0.0008","37.1916","0.0008","29.9793","0.0007","90","","90","","120","","35912.2","1.4","296","2","296","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","MOF-177-B","","","- C108 H60 N12 O26 Zn8 -","- C108 H60 N12 O26 Zn8 -","- C432 H240 N48 O104 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1259","0.0829","","","0.2487","0.261","","","","","","0.982","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123455","24.36","0.003","24.36","0.003","16.909","0.003","90","","90","","90","","10034","2","223","2","223","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","MOF-156-J","","","- C54 H36 N6 O13 Zn4 -","- C54 H36 N6 O13 Zn4 -","- C108 H72 N12 O26 Zn8 -","2","0.125","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","0.8","synchrotron","","0.1523","0.1198","","","0.4656","0.4875","","","","","","1.658","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123456","11.354","0.008","17.251","0.011","11.683","0.008","90","","107.778","0.006","90","","2179","3","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H69 Cl6 N6 Nd -","- C30 H40 Cl6 N6 Nd -","- C60 H80 Cl12 N12 Nd2 -","2","0.5","","Löble, Matthias W; Keith, Jason M.; Altman, Alison B.; Stieber, S Chantal E; Batista, Enrique R.; Boland, Kevin S.; Conradson, Steven D.; Clark, David L.; Lezama Pacheco, Juan; Kozimor, Stosh A.; Martin, Richard L.; Minasian, Stefan G.; Olson, Angela C.; Scott, Brian L.; Shuh, David K.; Tyliszczak, Tolek; Wilkerson, Marianne P.; Zehnder, Ralph A.","Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl6(x-) (x = 3, 2).","Journal of the American Chemical Society","2015","137","7","2506","2523","10.1021/ja510067v","","","0.71073","MoKα","","0.0819","0.0502","","","0.1205","0.1362","","","","","","0.972","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123457","11.318","0.004","17.191","0.006","11.69","0.004","90","","107.791","0.004","90","","2165.7","1.3","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H69 Cl6 Gd N6 -","- C30 H40 Cl6 Gd N6 -","- C60 H80 Cl12 Gd2 N12 -","2","0.5","","Löble, Matthias W; Keith, Jason M.; Altman, Alison B.; Stieber, S Chantal E; Batista, Enrique R.; Boland, Kevin S.; Conradson, Steven D.; Clark, David L.; Lezama Pacheco, Juan; Kozimor, Stosh A.; Martin, Richard L.; Minasian, Stefan G.; Olson, Angela C.; Scott, Brian L.; Shuh, David K.; Tyliszczak, Tolek; Wilkerson, Marianne P.; Zehnder, Ralph A.","Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl6(x-) (x = 3, 2).","Journal of the American Chemical Society","2015","137","7","2506","2523","10.1021/ja510067v","","","0.71073","MoKα","","0.0534","0.0379","","","0.099","0.1059","","","","","","1.335","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123458","15.4642","0.0009","15.25","0.0009","16.0021","0.0009","90","","91.415","0.001","90","","3772.6","0.4","140","1","140","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H72 Ce Cl6 N4 P3 -","- C80 H72 Ce Cl6 N4 P3 -","- C160 H144 Ce2 Cl12 N8 P6 -","2","1","","Löble, Matthias W; Keith, Jason M.; Altman, Alison B.; Stieber, S Chantal E; Batista, Enrique R.; Boland, Kevin S.; Conradson, Steven D.; Clark, David L.; Lezama Pacheco, Juan; Kozimor, Stosh A.; Martin, Richard L.; Minasian, Stefan G.; Olson, Angela C.; Scott, Brian L.; Shuh, David K.; Tyliszczak, Tolek; Wilkerson, Marianne P.; Zehnder, Ralph A.","Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl6(x-) (x = 3, 2).","Journal of the American Chemical Society","2015","137","7","2506","2523","10.1021/ja510067v","","","0.71073","MoKα","","0.0367","0.031","","","0.0635","0.066","","","","","","0.955","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123459","22.1094","0.0017","17.189","0.0013","11.6781","0.0009","90","","102.599","0.001","90","","4331.3","0.6","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H69 Cl6 Eu N6 -","- C26 H63 Cl6 Eu N4 -","- C104 H252 Cl24 Eu4 N16 -","4","1","","Löble, Matthias W; Keith, Jason M.; Altman, Alison B.; Stieber, S Chantal E; Batista, Enrique R.; Boland, Kevin S.; Conradson, Steven D.; Clark, David L.; Lezama Pacheco, Juan; Kozimor, Stosh A.; Martin, Richard L.; Minasian, Stefan G.; Olson, Angela C.; Scott, Brian L.; Shuh, David K.; Tyliszczak, Tolek; Wilkerson, Marianne P.; Zehnder, Ralph A.","Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl6(x-) (x = 3, 2).","Journal of the American Chemical Society","2015","137","7","2506","2523","10.1021/ja510067v","","","0.71073","MoKα","","0.0444","0.0294","","","0.054","0.0579","","","","","","1.183","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123460","22.068","0.002","17.163","0.0018","11.6569","0.0013","90","","102.554","0.001","90","","4309.5","0.8","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H69 Cl6 N6 Sm -","- C28 H66 Cl6 N5 Sm -","- C112 H264 Cl24 N20 Sm4 -","4","1","","Löble, Matthias W; Keith, Jason M.; Altman, Alison B.; Stieber, S Chantal E; Batista, Enrique R.; Boland, Kevin S.; Conradson, Steven D.; Clark, David L.; Lezama Pacheco, Juan; Kozimor, Stosh A.; Martin, Richard L.; Minasian, Stefan G.; Olson, Angela C.; Scott, Brian L.; Shuh, David K.; Tyliszczak, Tolek; Wilkerson, Marianne P.; Zehnder, Ralph A.","Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl6(x-) (x = 3, 2).","Journal of the American Chemical Society","2015","137","7","2506","2523","10.1021/ja510067v","","","0.71073","MoKα","","0.0608","0.0497","","","0.1175","0.1194","","","","","","2.126","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123461","11.0386","0.0009","14.1263","0.0011","21.5894","0.0017","90","","103.653","0.001","90","","3271.4","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 F6 Fe N4 O6 S2 -","- C32 H24 F6 Fe N4 O6 S2 -","- C128 H96 F24 Fe4 N16 O24 S8 -","4","1","","Biswas, Achintesh N.; Puri, Mayank; Meier, Katlyn K.; Oloo, Williamson N.; Rohde, Gregory T.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence","Modeling TauD-J: A High-Spin Nonheme Oxoiron(IV) Complex with High Reactivity toward C-H Bonds.","Journal of the American Chemical Society","2015","137","7","2428","2431","10.1021/ja511757j","","","0.71073","MoKα","","0.0567","0.0374","","","0.0794","0.0885","","","","","","1.031","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123462","8.5189","0.0005","18.3518","0.0012","18.6982","0.0012","90","","92.143","0.002","90","","2921.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 Br N3 P Pd -","- C33 H37 Br N3 P Pd -","- C132 H148 Br4 N12 P4 Pd4 -","4","1","","Ruiz-Castillo, Paula; Blackmond, Donna G.; Buchwald, Stephen L.","Rational ligand design for the arylation of hindered primary amines guided by reaction progress kinetic analysis.","Journal of the American Chemical Society","2015","137","8","3085","3092","10.1021/ja512903g","","","0.71073","MoKα","","0.0399","0.0342","","","0.0853","0.0884","","","","","","1.067","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123463","10.1917","0.0007","11.9481","0.0008","14.9831","0.001","97.577","0.001","109.417","0.001","113.601","0.001","1500.88","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H33 Br N3 P Pd -","- C35 H33 Br N3 P Pd -","- C70 H66 Br2 N6 P2 Pd2 -","2","1","","Ruiz-Castillo, Paula; Blackmond, Donna G.; Buchwald, Stephen L.","Rational ligand design for the arylation of hindered primary amines guided by reaction progress kinetic analysis.","Journal of the American Chemical Society","2015","137","8","3085","3092","10.1021/ja512903g","","","0.71073","MoKα","","0.0192","0.018","","","0.0468","0.0474","","","","","","1.044","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123464","10.2606","0.0019","10.903","0.002","20.575","0.004","83.409","0.002","82.055","0.002","86.701","0.003","2262.6","0.7","147","2","147","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H41 Eu K N9 O13 -","- C37 H41 Eu K N9 O13 -","- C74 H82 Eu2 K2 N18 O26 -","2","1","","Daumann, Lena J.; Tatum, David S.; Snyder, Benjamin E. R.; Ni, Chengbao; Law, Ga-Lai; Solomon, Edward I.; Raymond, Kenneth N.","New Insights into Structure and Luminescence of Eu(III) and Sm(III) Complexes of the 3,4,3-LI(1,2-HOPO) Ligand.","Journal of the American Chemical Society","2015","137","8","2816","2819","10.1021/ja5116524","","","0.71073","MoKα","","0.0432","0.0372","","","0.1089","0.1206","","","","","","1.262","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123465","6.8051","0.0011","5.4529","0.0009","9.1425","0.0015","90","","90","","90","","339.26","0.1","30","2","30","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- Eu0.01 Gd0.99 Na O4 Si -","- Eu0.01 Gd0.99 Na O4 Si -","- Eu0.04 Gd3.96 Na4 O16 Si4 -","4","0.25","","Ananias, Duarte; Paz, Filipe A Almeida; Yufit, Dmitry S.; Carlos, Luís D; Rocha, João","Photoluminescent thermometer based on a phase-transition lanthanide silicate with unusual structural disorder.","Journal of the American Chemical Society","2015","137","8","3051","3058","10.1021/ja512745y","","","0.71073","MoKα","","0.0449","0.0311","","","0.061","0.0657","","","","","","1.049","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123466","6.8161","0.001","5.4758","0.0009","9.1617","0.0012","90","","90","","90","","341.95","0.09","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Eu0.01 Gd0.99 Na O4 Si -","- Eu0.01 Gd0.99 Na O4 Si -","- Eu0.04 Gd3.96 Na4 O16 Si4 -","4","0.5","","Ananias, Duarte; Paz, Filipe A Almeida; Yufit, Dmitry S.; Carlos, Luís D; Rocha, João","Photoluminescent thermometer based on a phase-transition lanthanide silicate with unusual structural disorder.","Journal of the American Chemical Society","2015","137","8","3051","3058","10.1021/ja512745y","","","0.71073","MoKα","","0.0392","0.021","","","0.0391","0.0446","","","","","","1.165","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123467","15.05046","0.00019","15.05046","0.00019","22.728","0.0003","90","","90","","120","","4458.53","0.1","110","2","110","2","","","","","","","","6","P 65","P 65","170","","","","- C24 H35 Cl2 Cu N7 O9 -","- C24 H35 Cl2 Cu N7 O9 -","- C144 H210 Cl12 Cu6 N42 O54 -","6","1","","Kim, Sunghee; Lee, Jung Yoon; Cowley, Ryan E.; Ginsbach, Jake W.; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","A N3S(thioether)-Ligated Cu(II)-Superoxo with Enhanced Reactivity.","Journal of the American Chemical Society","2015","137","8","2796","2799","10.1021/ja511504n","","","1.54178","CuKα","","0.0259","0.0248","","","0.0615","0.0623","","","","","","1.033","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123468","15.0863","0.0002","11.06407","0.00018","19.2816","0.0003","90","","99.6221","0.0014","90","","3173.13","0.08","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 Cl2 Cu N5 O9 S -","- C26 H37 Cl2 Cu N5 O9 S -","- C104 H148 Cl8 Cu4 N20 O36 S4 -","4","1","","Kim, Sunghee; Lee, Jung Yoon; Cowley, Ryan E.; Ginsbach, Jake W.; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","A N3S(thioether)-Ligated Cu(II)-Superoxo with Enhanced Reactivity.","Journal of the American Chemical Society","2015","137","8","2796","2799","10.1021/ja511504n","","","1.54178","CuKα","","0.0435","0.0355","","","0.0921","0.099","","","","","","1.033","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123469","12.4367","0.0003","15.1159","0.0003","15.4174","0.0004","69.996","0.002","66.443","0.002","71.641","0.002","2442.48","0.11","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H35 B Cu F20 N5 S -","- C50 H35 B Cu F20 N5 S -","- C100 H70 B2 Cu2 F40 N10 S2 -","2","1","","Kim, Sunghee; Lee, Jung Yoon; Cowley, Ryan E.; Ginsbach, Jake W.; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","A N3S(thioether)-Ligated Cu(II)-Superoxo with Enhanced Reactivity.","Journal of the American Chemical Society","2015","137","8","2796","2799","10.1021/ja511504n","","","1.54178","CuKα","","0.0342","0.0307","","","0.0785","0.0811","","","","","","1.024","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123470","11.8014","0.0002","23.4921","0.0003","13.9336","0.0002","90","","105.786","0.002","90","","3717.25","0.1","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Cl2 Cu N5 O10 -","- C36 H39 Cl2 Cu N5 O10 -","- C144 H156 Cl8 Cu4 N20 O40 -","4","1","","Kim, Sunghee; Ginsbach, Jake W.; Lee, Jung Yoon; Peterson, Ryan L.; Liu, Jeffrey J.; Siegler, Maxime A.; Sarjeant, Amy A.; Solomon, Edward I.; Karlin, Kenneth D.","Amine Oxidative N-Dealkylation via Cupric Hydroperoxide Cu-OOH Homolytic Cleavage Followed by Site-Specific Fenton Chemistry.","Journal of the American Chemical Society","2015","137","8","2867","2874","10.1021/ja508371q","","","0.71073","MoKα","","0.0688","0.0473","","","0.0966","0.1032","","","","","","1.035","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123471","6.7791","0.0002","10.1381","0.0004","9.7026","0.0003","90","","105.925","0.0011","90","","641.24","0.04","","","","","","","","","","","see paper","3","P 1 21 1","P 2yb","4","","Title","","- C16 H16 O3 -","- C16 H16 O3 -","- C32 H32 O6 -","2","1","","Huang, Shenlin; Kötzner, Lisa; De, Chandra Kanta; List, Benjamin","Catalytic asymmetric dearomatizing redox cross coupling of ketones with aryl hydrazines giving 1,4-diketones.","Journal of the American Chemical Society","2015","137","10","3446","3449","10.1021/ja511200j","","","","","","0.0315","0.0311","","","0.0793","0.0797","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123472","9.1382","0.0003","9.9898","0.0003","11.5919","0.0004","69.4491","0.0013","84.6054","0.0014","80.4413","0.0015","976.38","0.06","","","","","","","","","","","chloroforme","5","P -1","-P 1","2","","Title","","- C23 H23 N O4 S -","- C23 H23 N O4 S -","- C46 H46 N2 O8 S2 -","2","1","","Huang, Shenlin; Kötzner, Lisa; De, Chandra Kanta; List, Benjamin","Catalytic asymmetric dearomatizing redox cross coupling of ketones with aryl hydrazines giving 1,4-diketones.","Journal of the American Chemical Society","2015","137","10","3446","3449","10.1021/ja511200j","","","","","","0.0436","0.0393","","","0.0945","0.0974","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123473","10.0688","0.0004","7.9622","0.0003","12.9865","0.0005","90","","109.748","0.002","90","","979.89","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","WH2-17811","toste105","","- C22 H21 N O5 S -","- C22 H21 N O5 S -","- C44 H42 N2 O10 S2 -","2","1","","Zi, Weiwei; Wu, Hongmiao; Toste, F. Dean","Gold(I)-Catalyzed Dearomative Rautenstrauch Rearrangement: Enantioselective Access to Cyclopenta[b]indoles.","Journal of the American Chemical Society","2015","","","150224162405005","","10.1021/jacs.5b00613","","","1.54178","CuKα","","0.026","0.0255","","","0.0682","0.0685","","","","","","1.04","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123474","10.2527","0.0006","10.1344","0.0006","11.1386","0.0006","90","","95.063","0.002","90","","1152.84","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H32 N2 O5 -","- C23 H32 N2 O5 -","- C46 H64 N4 O10 -","2","1","","Yang, Xiaoyu; Toste, F. Dean","Direct Asymmetric Amination of α-Branched Cyclic Ketones Catalyzed by a Chiral Phosphoric Acid.","Journal of the American Chemical Society","2015","137","9","3205","3208","10.1021/jacs.5b00229","","","1.54178","CuKα","","0.0255","0.0253","","","0.0649","0.0651","","","","","","1.027","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4123475","10.077","0.0011","10.2832","0.0011","19.625","0.002","90","","97.493","0.002","90","","2016.3","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 F -","- C25 H25 F -","- C100 H100 F4 -","4","1","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy; Hayashi, Tamio","Nickel-catalyzed three-component domino reactions of aryl grignard reagents, alkynes, and aryl halides producing tetrasubstituted alkenes.","Journal of the American Chemical Society","2015","137","9","3189","3192","10.1021/ja513166w","","","0.71073","MoKα","","0.0873","0.0508","","","0.1385","0.1627","","","","","","1.027","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123476","9.382","0.003","9.53","0.003","11.262","0.004","73.008","0.004","81.053","0.004","83.534","0.005","948.9","0.5","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C25 H26 -","- C25 H26 -","- C50 H52 -","2","1","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy; Hayashi, Tamio","Nickel-catalyzed three-component domino reactions of aryl grignard reagents, alkynes, and aryl halides producing tetrasubstituted alkenes.","Journal of the American Chemical Society","2015","137","9","3189","3192","10.1021/ja513166w","","","0.71073","MoKα","","0.0836","0.056","","","0.1273","0.1398","","","","","","1.003","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123477","17.56","0.003","5.7255","0.001","18.734","0.004","90","","92.611","0.007","90","","1881.6","0.6","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 -","- C25 H26 -","- C100 H104 -","4","1","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy; Hayashi, Tamio","Nickel-catalyzed three-component domino reactions of aryl grignard reagents, alkynes, and aryl halides producing tetrasubstituted alkenes.","Journal of the American Chemical Society","2015","137","9","3189","3192","10.1021/ja513166w","","","0.71073","MoKα","","0.0968","0.0749","","","0.1984","0.2168","","","","","","1.186","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123478","26.251","0.005","26.251","0.005","11.422","0.002","90","","90","","90","","7871","3","153","2","153","2","","","","","","","","2","I 41/a :2","-I 4ad","88","","","","- C25 H26 -","- C25 H26 -","- C400 H416 -","16","1","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy; Hayashi, Tamio","Nickel-catalyzed three-component domino reactions of aryl grignard reagents, alkynes, and aryl halides producing tetrasubstituted alkenes.","Journal of the American Chemical Society","2015","137","9","3189","3192","10.1021/ja513166w","","","0.71073","MoKα","","0.0915","0.0532","","","0.1296","0.155","","","","","","1.019","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123479","11.6106","0.0007","14.4297","0.0008","15.6884","0.0008","86.3941","0.0017","88.475","0.003","72.09","0.0017","2496","0.2","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H53 B F18 Ni O P2 -","- C52 H53 B F18 Ni O P2 -","- C104 H106 B2 F36 Ni2 O2 P4 -","2","1","","Doi, Ryohei; Kikushima, Kotaro; Ohashi, Masato; Ogoshi, Sensuke","Synthesis, characterization, and unique catalytic activities of a fluorinated nickel enolate.","Journal of the American Chemical Society","2015","137","9","3276","3282","10.1021/ja511730k","","","0.71075","MoKα","","","0.0468","","","","0.116","","","","","","0.997","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123480","12.0326","0.0009","13.8825","0.0012","17.516","0.0013","84.588","0.003","79.578","0.003","73.801","0.003","2760.4","0.4","123","","123","","","","","","","","","8","P -1","-P 1","2","","","","- C57 H62 B F18 N Ni O P2 -","- C57 H62 B F18 N Ni O P2 -","- C114 H124 B2 F36 N2 Ni2 O2 P4 -","2","1","","Doi, Ryohei; Kikushima, Kotaro; Ohashi, Masato; Ogoshi, Sensuke","Synthesis, characterization, and unique catalytic activities of a fluorinated nickel enolate.","Journal of the American Chemical Society","2015","137","9","3276","3282","10.1021/ja511730k","","","0.71075","MoKα","","","0.0794","","","","0.2755","","","","","","1.02","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123481","20.0039","0.0007","5.7737","0.0002","15.3278","0.0007","90","","106.523","0.002","90","","1697.2","0.12","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 F3 O2 -","- C21 H15 F3 O2 -","- C84 H60 F12 O8 -","4","1","","Doi, Ryohei; Kikushima, Kotaro; Ohashi, Masato; Ogoshi, Sensuke","Synthesis, characterization, and unique catalytic activities of a fluorinated nickel enolate.","Journal of the American Chemical Society","2015","137","9","3276","3282","10.1021/ja511730k","","","1.54187","CuKα","","","0.0604","","","","0.1755","","","","","","1.067","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123482","11.7131","0.0002","19.5556","0.0004","28.4483","0.0005","90","","90.58","0.0007","90","","6515.9","0.2","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H63 B F18 Ni O2 P2 -","- C67 H63 B F18 Ni O2 P2 -","- C268 H252 B4 F72 Ni4 O8 P8 -","4","1","","Doi, Ryohei; Kikushima, Kotaro; Ohashi, Masato; Ogoshi, Sensuke","Synthesis, characterization, and unique catalytic activities of a fluorinated nickel enolate.","Journal of the American Chemical Society","2015","137","9","3276","3282","10.1021/ja511730k","","","1.54187","CuKα","","0.1727","0.1051","","","0.2696","0.3413","","","","","","1.124","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123483","22.8236","0.0003","12.18146","0.00019","39.6106","0.0006","90","","92.6704","0.0013","90","","11000.8","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H123 Cl6 Cu3 N9 O37 -","- C102 H123 Cl6 Cu3 N9 O37 -","- C408 H492 Cl24 Cu12 N36 O148 -","4","1","","Kakuda, Saya; Rolle, Clarence J.; Ohkubo, Kei; Siegler, Maxime A.; Karlin, Kenneth D.; Fukuzumi, Shunichi","Lewis Acid-induced change from four- to two-electron reduction of dioxygen catalyzed by copper complexes using scandium triflate.","Journal of the American Chemical Society","2015","137","9","3330","3337","10.1021/ja512584r","","","1.54178","CuKα","","0.0388","0.0341","","","0.0914","0.0948","","","","","","1.028","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123484","9.7356","0.0005","11.2251","0.0004","14.6888","0.0006","97.369","0.003","95.733","0.004","99.239","0.004","1559.38","0.12","173","0.14","173","0.14","","","","","","","","3","P -1","-P 1","2","","","","- C38 H40 O8 -","- C38 H40 O8 -","- C76 H80 O16 -","2","1","","Rodler, Fabian; Schade, Boris; Jäger, Christof M; Backes, Susanne; Hampel, Frank; Böttcher, Christoph; Clark, Timothy; Hirsch, Andreas","Amphiphilic Perylene-Calix[4]arene Hybrids: Synthesis and Tunable Self-Assembly.","Journal of the American Chemical Society","2015","137","9","3308","3317","10.1021/ja512048t","","","0.7107","MoKα","","0.0647","0.0515","","","0.1214","0.1319","","","","","","1.042","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123485","23.5082","0.0005","7.7039","0.0007","33.317","0.002","90","","97.607","0.002","90","","5980.8","0.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Br2 F2 N2 O P -","- C30 H23 Br2 F2 N2 O P -","- C240 H184 Br16 F16 N16 O8 P8 -","8","1","","Stolar, Monika; Borau-Garcia, Javier; Toonen, Mark; Baumgartner, Thomas","Synthesis and tunability of highly electron-accepting, N-benzylated ""phosphaviologens"".","Journal of the American Chemical Society","2015","137","9","3366","3371","10.1021/ja513258j","","","0.71073","MoKα","","0.1041","0.0785","","","0.145","0.1564","","","","","","1.129","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123486","34.29","0.03","34.293","","14.665","0.012","90","","90","","90","","17245","2","110","2","110","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- C83 H65 O32 Zr6 -","- C83 H65 O32 Zr6 -","- C332 H260 O128 Zr24 -","4","0.25","","Yuan, Shuai; Lu, Weigang; Chen, Ying-Pin; Zhang, Qiang; Liu, Tian-Fu; Feng, Dawei; Wang, Xuan; Qin, Junsheng; Zhou, Hong-Cai","Sequential linker installation: precise placement of functional groups in multivariate metal-organic frameworks.","Journal of the American Chemical Society","2015","137","9","3177","3180","10.1021/ja512762r","","","0.71073","MoKα","","0.2183","0.095","","","0.1906","0.2166","","","","","","1.002","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123487","24.348","0.014","24.348","","14.918","0.009","90","","90","","90","","8844","7","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H56 O32 Zr6 -","- C64 H56 O32 Zr6 -","- C128 H112 O64 Zr12 -","2","0.125","","Yuan, Shuai; Lu, Weigang; Chen, Ying-Pin; Zhang, Qiang; Liu, Tian-Fu; Feng, Dawei; Wang, Xuan; Qin, Junsheng; Zhou, Hong-Cai","Sequential linker installation: precise placement of functional groups in multivariate metal-organic frameworks.","Journal of the American Chemical Society","2015","137","9","3177","3180","10.1021/ja512762r","","","0.71073","MoKα","","0.0644","0.0417","","","0.091","0.0961","","","","","","1.001","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123488","23.91","0.011","23.91","","16.057","0.008","90","","90","","90","","9180","6","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C86 H70 O32 Zr6 -","- C86 H70 O32 Zr6 -","- C172 H140 O64 Zr12 -","2","0.125","","Yuan, Shuai; Lu, Weigang; Chen, Ying-Pin; Zhang, Qiang; Liu, Tian-Fu; Feng, Dawei; Wang, Xuan; Qin, Junsheng; Zhou, Hong-Cai","Sequential linker installation: precise placement of functional groups in multivariate metal-organic frameworks.","Journal of the American Chemical Society","2015","137","9","3177","3180","10.1021/ja512762r","","","0.71073","MoKα","","0.1771","0.0802","","","0.1622","0.1884","","","","","","1.003","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123489","34.351","0.017","34.351","","14.71","0.007","90","","90","","90","","17358","12","110","2","110","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C83 H66 N O33 Zr6 -","- C83 H66 N O33 Zr6 -","- C332 H264 N4 O132 Zr24 -","4","0.25","","Yuan, Shuai; Lu, Weigang; Chen, Ying-Pin; Zhang, Qiang; Liu, Tian-Fu; Feng, Dawei; Wang, Xuan; Qin, Junsheng; Zhou, Hong-Cai","Sequential linker installation: precise placement of functional groups in multivariate metal-organic frameworks.","Journal of the American Chemical Society","2015","137","9","3177","3180","10.1021/ja512762r","","","0.71073","MoKα","","0.2271","0.1044","","","0.2475","0.2802","","","","","","1.001","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123490","24.4","0.03","24.401","","14.88","0.02","90","","90","","90","","8859","16","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C72 H58 O32 Zr6 -","- C72 H58 O32 Zr6 -","- C144 H116 O64 Zr12 -","2","0.125","","Yuan, Shuai; Lu, Weigang; Chen, Ying-Pin; Zhang, Qiang; Liu, Tian-Fu; Feng, Dawei; Wang, Xuan; Qin, Junsheng; Zhou, Hong-Cai","Sequential linker installation: precise placement of functional groups in multivariate metal-organic frameworks.","Journal of the American Chemical Society","2015","137","9","3177","3180","10.1021/ja512762r","","","0.71073","MoKα","","0.0865","0.0565","","","0.1271","0.1359","","","","","","1.006","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123491","21.2287","0.0009","17.8117","0.0007","12.3055","0.0004","90","","124.759","0.002","90","","3822.7","0.3","","","295","","","","","","","","","2","C 1 2/m 1","-C 2y","12","SSZ-87","","","- O128 Si61 -","- O157.824 Si60.984 -","- O157.824 Si60.984 -","1","0.125","","Smeets, Stef; McCusker, Lynne B.; Baerlocher, Christian; Xie, Dan; Chen, Cong-Yan; Zones, Stacey I.","SSZ-87: A Borosilicate Zeolite with Unusually Flexible 10-Ring Pore Openings.","Journal of the American Chemical Society","2015","137","5","2015","2020","10.1021/ja512411b","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123492","21.5314","0.0006","18.0366","0.0005","12.3918","0.0003","90","","124.872","0.0017","90","","3948.2","0.2","","","295","","","","","","","","","2","C 1 2/m 1","-C 2y","12","SSZ-87","","","- O128 Si64 -","- O148 Si64 -","- O148 Si64 -","1","0.125","","Smeets, Stef; McCusker, Lynne B.; Baerlocher, Christian; Xie, Dan; Chen, Cong-Yan; Zones, Stacey I.","SSZ-87: A Borosilicate Zeolite with Unusually Flexible 10-Ring Pore Openings.","Journal of the American Chemical Society","2015","137","5","2015","2020","10.1021/ja512411b","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123493","21.1727","0.0005","17.8092","0.0005","12.2869","0.0002","90","","124.793","0.0014","90","","3804.7","0.17","","","295","","","","","","","","","5","C 1 2/m 1","-C 2y","12","SSZ-87","","","- C44 H80 N4 O128 Si64 -","- C44 H80 B4.04 N4 O128 Si59.96 -","- C44 H80 B4.04 N4 O128 Si59.96 -","1","0.125","","Smeets, Stef; McCusker, Lynne B.; Baerlocher, Christian; Xie, Dan; Chen, Cong-Yan; Zones, Stacey I.","SSZ-87: A Borosilicate Zeolite with Unusually Flexible 10-Ring Pore Openings.","Journal of the American Chemical Society","2015","137","5","2015","2020","10.1021/ja512411b","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123494","12.2843","0.0006","14.6396","0.0007","14.7149","0.0008","99.471","0.001","92.014","0.001","99.06","0.001","2572.6","0.2","110","2","110","2","","","","","","","","7","P -1","-P 1","2","1612","","","- C96 H74 B2 Cl6 F48 Ir2 N4 -","- C96 H74 B2 Cl6 F48 Ir2 N4 -","- C96 H74 B2 Cl6 F48 Ir2 N4 -","1","0.5","","Lehman, Matthew C.; Pahls, Dale R.; Meredith, Joseph M.; Sommer, Roger D.; Heinekey, D. Michael; Cundari, Thomas R.; Ison, Elon A.","Oxyfunctionalization with Cp*Ir(III)(NHC)(Me)(Cl) with O2: Identification of a Rare Bimetallic Ir(IV) μ-Oxo Intermediate.","Journal of the American Chemical Society","2015","137","10","3574","3584","10.1021/ja512905t","","","0.71073","MoKα","","0.0617","0.0534","","","0.1342","0.1437","","","","","","1.089","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123495","12.1204","0.0005","19.0435","0.0007","23.9068","0.0009","79.424","0.002","76.185","0.002","80.912","0.002","5229.6","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","in glove box","","","- C96.5 H77 B2 Cl F48 Ir2 N4 O -","- C96.451 H76.902 B2 Cl0.902 F48 Ir2 N4 O -","- C192.902 H153.804 B4 Cl1.804 F96 Ir4 N8 O2 -","2","1","","Lehman, Matthew C.; Pahls, Dale R.; Meredith, Joseph M.; Sommer, Roger D.; Heinekey, D. Michael; Cundari, Thomas R.; Ison, Elon A.","Oxyfunctionalization with Cp*Ir(III)(NHC)(Me)(Cl) with O2: Identification of a Rare Bimetallic Ir(IV) μ-Oxo Intermediate.","Journal of the American Chemical Society","2015","137","10","3574","3584","10.1021/ja512905t","","","0.71073","MoKα","","0.0816","0.0618","","","0.1722","0.1873","","","","","","1.134","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123496","32.9628","0.0007","32.7442","0.0005","20.4118","0.0004","90","","109.837","0.002","90","","20724","0.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C158 H136 Au18 Cl4 F12 P14 S8 -","- C158 H136 Au18 Cl4 F12 P14 S8 -","- C632 H544 Au72 Cl16 F48 P56 S32 -","4","0.5","","Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Photoinduced isomerization-driven structural transformation between decanuclear and octadecanuclear gold(i) sulfido clusters.","Journal of the American Chemical Society","2015","137","10","3506","3509","10.1021/jacs.5b01676","","","1.54178","CuKα","","0.0969","0.083","","","0.2314","0.2471","","","","","","1.084","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123497","27.9293","0.0005","27.9293","0.0005","27.9293","0.0005","90","","90","","90","","21786.1","0.7","225","2","225","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C228 H114 O32 Zr6 -","- C153.75 H99 O32 Zr6 -","- C153.75 H99 O32 Zr6 -","1","0.0208333","","Wang, Timothy C.; Bury, Wojciech; Gómez-Gualdrón, Diego A; Vermeulen, Nicolaas A.; Mondloch, Joseph E.; Deria, Pravas; Zhang, Kainan; Moghadam, Peyman Z.; Sarjeant, Amy A.; Snurr, Randall Q.; Stoddart, J. Fraser; Hupp, Joseph T.; Farha, Omar K.","Ultrahigh Surface Area Zirconium MOFs and Insights into the Applicability of the BET Theory.","Journal of the American Chemical Society","2015","137","10","3585","3591","10.1021/ja512973b","","","1.54178","CuKα","","0.1143","0.1071","","","0.3332","0.3502","","","","","","1.653","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123498","25.334","0.0012","25.334","0.0012","25.334","0.0012","90","","90","","90","","16259.7","1.3","250","2","250","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C216 H120 N12 O32 Zr6 -","- C216 H120 N12 O32 Zr6 -","- C216 H120 N12 O32 Zr6 -","1","0.0208333","","Wang, Timothy C.; Bury, Wojciech; Gómez-Gualdrón, Diego A; Vermeulen, Nicolaas A.; Mondloch, Joseph E.; Deria, Pravas; Zhang, Kainan; Moghadam, Peyman Z.; Sarjeant, Amy A.; Snurr, Randall Q.; Stoddart, J. Fraser; Hupp, Joseph T.; Farha, Omar K.","Ultrahigh Surface Area Zirconium MOFs and Insights into the Applicability of the BET Theory.","Journal of the American Chemical Society","2015","137","10","3585","3591","10.1021/ja512973b","","","1.54178","CuKα","","0.0395","0.038","","","0.1115","0.1124","","","","","","1.108","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123499","24.305","0.0009","24.305","0.0009","24.305","0.0009","90","","90","","90","","14357.8","0.9","100","2","100","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C228 H162 O32 Zr6 -","- C157.5 H132 O32 Zr6 -","- C157.5 H132 O32 Zr6 -","1","0.0208333","","Wang, Timothy C.; Bury, Wojciech; Gómez-Gualdrón, Diego A; Vermeulen, Nicolaas A.; Mondloch, Joseph E.; Deria, Pravas; Zhang, Kainan; Moghadam, Peyman Z.; Sarjeant, Amy A.; Snurr, Randall Q.; Stoddart, J. Fraser; Hupp, Joseph T.; Farha, Omar K.","Ultrahigh Surface Area Zirconium MOFs and Insights into the Applicability of the BET Theory.","Journal of the American Chemical Society","2015","137","10","3585","3591","10.1021/ja512973b","","","1.54178","CuKα","","0.1249","0.1183","","","0.3845","0.4034","","","","","","2.104","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123500","28.9202","0.0007","28.9202","0.0007","28.9202","0.0007","90","","90","","90","","24188.2","1","100","2","100","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C240 H126 N12 O32 Zr6 -","- C240 H126 N12 O32 Zr6 -","- C240 H126 N12 O32 Zr6 -","1","0.0208333","","Wang, Timothy C.; Bury, Wojciech; Gómez-Gualdrón, Diego A; Vermeulen, Nicolaas A.; Mondloch, Joseph E.; Deria, Pravas; Zhang, Kainan; Moghadam, Peyman Z.; Sarjeant, Amy A.; Snurr, Randall Q.; Stoddart, J. Fraser; Hupp, Joseph T.; Farha, Omar K.","Ultrahigh Surface Area Zirconium MOFs and Insights into the Applicability of the BET Theory.","Journal of the American Chemical Society","2015","137","10","3585","3591","10.1021/ja512973b","","","1.54178","CuKα","","0.0405","0.0348","","","0.1","0.1025","","","","","","1.092","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123501","6.9513","0.0014","8.9094","0.0019","22.121","0.005","90","","90","","90","","1370","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 B10 -","- C9 H16 B10 -","- C36 H64 B40 -","4","1","","Quan, Yangjian; Xie, Zuowei","Palladium-Catalyzed Regioselective Intramolecular Coupling of o-Carborane with Aromatics via Direct Cage B-H Activation.","Journal of the American Chemical Society","2015","","","150310140942007","","10.1021/jacs.5b01169","","","0.71073","MoKα","","0.1256","0.0861","","","0.1975","0.2237","","","","","","1.032","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123502","7.6742","0.0011","11.2836","0.0015","16.041","0.002","90","","90","","90","","1389","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 B10 -","- C9 H16 B10 -","- C36 H64 B40 -","4","1","","Quan, Yangjian; Xie, Zuowei","Palladium-Catalyzed Regioselective Intramolecular Coupling of o-Carborane with Aromatics via Direct Cage B-H Activation.","Journal of the American Chemical Society","2015","","","150310140942007","","10.1021/jacs.5b01169","","","0.71073","MoKα","","0.0904","0.0693","","","0.1746","0.1989","","","","","","1.041","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123503","10.246","0.003","13.688","0.004","10.528","0.003","90","","91.892","0.007","90","","1475.7","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 B10 -","- C10 H18 B10 -","- C40 H72 B40 -","4","1","","Quan, Yangjian; Xie, Zuowei","Palladium-Catalyzed Regioselective Intramolecular Coupling of o-Carborane with Aromatics via Direct Cage B-H Activation.","Journal of the American Chemical Society","2015","","","150310140942007","","10.1021/jacs.5b01169","","","0.71073","MoKα","","0.1543","0.0827","","","0.1977","0.2474","","","","","","1.008","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123504","9.5916","0.0004","11.3171","0.0005","18.2254","0.0008","90","","90","","90","","1978.35","0.15","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O3 Si -","- C21 H32 O3 Si -","- C84 H128 O12 Si4 -","4","1","","Shvartsbart, Artem; Smith, 3rd, Amos B","The daphniphyllum alkaloids: total synthesis of (-)-calyciphylline N.","Journal of the American Chemical Society","2015","137","10","3510","3519","10.1021/ja503899t","","","0.71073","MoKα","","0.0288","0.0278","","","0.0756","0.0762","","","","","","1.051","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123505","12.8403","0.0004","10.7117","0.0003","15.9847","0.0005","90","","110.275","0.001","90","","2062.34","0.11","150","2","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 Cl N3 O Os P -","- C17 H31 Cl N3 O Os P -","- C68 H124 Cl4 N12 O4 Os4 P4 -","4","1","","Spasyuk, Denis; Vicent, Cristian; Gusev, Dmitry G.","Chemoselective hydrogenation of carbonyl compounds and acceptorless dehydrogenative coupling of alcohols.","Journal of the American Chemical Society","2015","137","11","3743","3746","10.1021/ja512389y","","","1.54178","CuKα","","0.0435","0.0426","","","0.1371","0.1374","","","","","","1.174","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123506","29.526","0.0003","13.6981","0.0002","13.5978","0.0002","90","","90.42","","90","","5499.48","0.13","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H43 Cl N3 O Os P -","- C29 H43 Cl N3 O Os P -","- C232 H344 Cl8 N24 O8 Os8 P8 -","8","1","","Spasyuk, Denis; Vicent, Cristian; Gusev, Dmitry G.","Chemoselective hydrogenation of carbonyl compounds and acceptorless dehydrogenative coupling of alcohols.","Journal of the American Chemical Society","2015","137","11","3743","3746","10.1021/ja512389y","","","1.54178","CuKα","","0.0197","0.0197","","","0.0502","0.0502","","","","","","1.178","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123507","8.7567","0.0002","11.1781","0.0002","10.334","0.0007","90","","112.471","0.008","90","","934.72","0.09","85","2","85","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H32 O4 -","- C18 H32 O4 -","- C36 H64 O8 -","2","1","","Hansen, Douglas A.; Koch, Aaron A.; Sherman, David H.","Substrate controlled divergence in polyketide synthase catalysis.","Journal of the American Chemical Society","2015","137","11","3735","3738","10.1021/ja511743n","","","1.54178","CuKα","","0.0305","0.0295","","","0.0771","0.0781","","","","","","1.058","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123508","32.4082","0.001","10.2792","0.0003","12.9122","0.0004","90","","90","","90","","4301.4","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C48 H50 Cl2 N3 P -","- C48 H50 Cl2 N3 P -","- C192 H200 Cl8 N12 P4 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.0793","0.0475","","","0.1021","0.1151","","","","","","1.021","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123509","11.4355","0.0003","11.4825","0.0003","19.6164","0.0005","90.636","0.001","106.453","0.001","107.906","0.001","2337.02","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H56 As Cl2 N3 -","- C54 H56 As Cl2 N3 -","- C108 H112 As2 Cl4 N6 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.0481","0.0338","","","0.0832","0.0897","","","","","","1.013","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123510","11.5206","0.0006","11.5256","0.0006","19.7753","0.001","91.395","0.003","106.593","0.003","108.18","0.003","2372.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H55 Cl2 F N3 Sb -","- C54 H55 Cl2 F N3 Sb -","- C108 H110 Cl4 F2 N6 Sb2 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.0598","0.0389","","","0.0856","0.0951","","","","","","1.029","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123511","11.4818","0.0017","11.526","0.0016","19.63","0.003","106.737","0.003","90.714","0.004","107.906","0.003","2352.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H56 Cl2 N3 Sb -","- C54 H56 Cl2 N3 Sb -","- C108 H112 Cl4 N6 Sb2 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.0615","0.0416","","","0.089","0.0996","","","","","","1.024","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123512","11.7016","0.0004","12.5173","0.0005","14.7576","0.0006","92.092","0.002","96.808","0.002","95.208","0.002","2135.04","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H50 Bi Cl2 N3 -","- C48 H50 Bi Cl2 N3 -","- C96 H100 Bi2 Cl4 N6 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.0576","0.0344","","","0.0637","0.0699","","","","","","1.009","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123513","10.5136","0.0005","12.3212","0.0006","15.7422","0.0007","88.805","0.002","84.735","0.002","85.871","0.002","2025.16","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H50.58 N3 P0.42 -","- C48 H50.582 N3 P0.418 -","- C96 H101.164 N6 P0.836 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.1441","0.0564","","","0.1122","0.1451","","","","","","1.007","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123514","10.4876","0.0004","11.3706","0.0005","19.9187","0.0007","104.433","0.002","92.829","0.002","110.637","0.002","2127.93","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H53 As N3 -","- C51 H53 As N3 -","- C102 H106 As2 N6 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.073","0.0442","","","0.1076","0.1198","","","","","","1.029","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123515","10.4767","0.0003","11.3451","0.0004","20.0371","0.0007","104.057","0.001","93.989","0.001","110.832","0.001","2127.07","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H53 N3 Sb -","- C51 H53 N3 Sb -","- C102 H106 N6 Sb2 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.0331","0.0304","","","0.0877","0.0899","","","","","","1.073","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123516","10.4898","0.0003","12.3319","0.0004","15.7147","0.0005","88.046","0.001","84.085","0.002","86.07","0.002","2016.51","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H51 N3 -","- C48 H51 N3 -","- C96 H102 N6 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.0631","0.0475","","","0.1218","0.1335","","","","","","1.038","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123517","12.6795","0.0005","13.978","0.0005","25.7857","0.0008","90","","91.812","0.001","90","","4567.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 Li N3 O -","- C52 H60 Li N3 O -","- C208 H240 Li4 N12 O4 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.0734","0.0484","","","0.1092","0.1244","","","","","","1.017","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123518","11.4666","0.0003","14.2657","0.0004","29.3989","0.0008","90","","93.347","0.002","90","","4800.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H64 Li N3 O -","- C58 H64 Li N3 O -","- C232 H256 Li4 N12 O4 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.0904","0.0535","","","0.1252","0.1464","","","","","","1.022","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123519","12.8176","0.0006","15.0569","0.0007","22.1137","0.0011","90","","90","","90","","4267.8","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H50 I2 N2 P2 -","- C48 H50 I2 N2 P2 -","- C192 H200 I8 N8 P8 -","4","0.5","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.1206","0.0488","","","0.0871","0.1148","","","","","","1.011","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123520","19.7543","0.0016","9.6057","0.0007","23.324","0.002","90","","101.686","0.005","90","","4334.1","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H50 I2 N2 P2 -","- C48 H50 I2 N2 P2 -","- C192 H200 I8 N8 P8 -","4","0.5","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.089","0.0431","","","0.0745","0.0884","","","","","","1.027","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123521","9.4149","0.0017","16.705","0.003","16.72","0.003","90","","104.213","0.007","90","","2549.2","0.8","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H32 B F4 O0.5 P -","- C29 H32 B F4 O0.5 P -","- C116 H128 B4 F16 O2 P4 -","4","2","","Kramer, Søren; Fu, Gregory C.","Use of a New Spirophosphine To Achieve Catalytic Enantioselective [4 + 1] Annulations of Amines with Allenes To Generate Dihydropyrroles","Journal of the American Chemical Society","2015","","","150317085953008","","10.1021/jacs.5b01944","","","0.71073","MoKα","","0.1525","0.0716","","","0.1119","0.1303","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123522","15.5147","0.0012","12.7713","0.001","15.9668","0.0012","90","","105.721","0.004","90","","3045.4","0.4","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29.7 H34.99 Cl0.4 N3 O8 S -","- C29.696 H34.99 Cl0.402 N3 O8 S -","- C118.784 H139.96 Cl1.608 N12 O32 S4 -","4","2","","Kramer, Søren; Fu, Gregory C.","Use of a New Spirophosphine To Achieve Catalytic Enantioselective [4 + 1] Annulations of Amines with Allenes To Generate Dihydropyrroles","Journal of the American Chemical Society","2015","","","150317085953008","","10.1021/jacs.5b01944","","","0.71073","MoKα","","0.1065","0.095","","","0.2482","0.2582","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123523","7.7594","0.0004","8.0085","0.0004","8.9723","0.0004","104.122","0.003","93.894","0.003","90.639","0.003","539.23","0.05","100","2","100","","","","","","","","","5","P 1","P 1","1","","","","- C22 H24 N2 O6 S -","- C22 H24 N2 O6 S -","- C22 H24 N2 O6 S -","1","1","","Kramer, Søren; Fu, Gregory C.","Use of a New Spirophosphine To Achieve Catalytic Enantioselective [4 + 1] Annulations of Amines with Allenes To Generate Dihydropyrroles","Journal of the American Chemical Society","2015","","","150317085953008","","10.1021/jacs.5b01944","","","0.71073","MoKα","","0.0513","0.038","","","0.0702","0.0732","","","","","","0.926","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123524","8.0897","0.0016","10.667","0.002","11.916","0.002","90","","93.879","0.01","90","","1025.9","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O7 S -","- C18 H24 N2 O7 S -","- C36 H48 N4 O14 S2 -","2","1","","Kramer, Søren; Fu, Gregory C.","Use of a New Spirophosphine To Achieve Catalytic Enantioselective [4 + 1] Annulations of Amines with Allenes To Generate Dihydropyrroles","Journal of the American Chemical Society","2015","","","150317085953008","","10.1021/jacs.5b01944","","","0.71073","MoKα","","0.067","0.0411","","","0.1057","0.1168","","","","","","0.923","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123525","23.5194","0.0008","24.5275","0.0008","18.4585","0.0007","90","","90","","90","","10648.2","0.6","100","2","100.05","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C96 H160 La Mo12 O129 P -","- C96 H160 La Mo12 O129 P0.5 -","- C192 H320 La2 Mo24 O258 P -","2","0.5","","Wu, Yilei; Shi, Rufei; Wu, Yi-Lin; Holcroft, James M.; Liu, Zhichang; Frasconi, Marco; Wasielewski, Michael R.; Li, Hui; Stoddart, J. Fraser","Complexation of polyoxometalates with cyclodextrins.","Journal of the American Chemical Society","2015","137","12","4111","4118","10.1021/ja511713c","","","1.54178","CuKα","","0.0891","0.086","","","0.2331","0.2374","","","","","","1.019","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123526","15.2351","0.0007","42.456","0.002","15.4011","0.0007","90","","101.763","0.002","90","","9752.6","0.8","100","2","100.04","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H158 La Mo12 O146 P -","- C84 H158 La Mo12 O146 P -","- C168 H316 La2 Mo24 O292 P2 -","2","1","","Wu, Yilei; Shi, Rufei; Wu, Yi-Lin; Holcroft, James M.; Liu, Zhichang; Frasconi, Marco; Wasielewski, Michael R.; Li, Hui; Stoddart, J. Fraser","Complexation of polyoxometalates with cyclodextrins.","Journal of the American Chemical Society","2015","137","12","4111","4118","10.1021/ja511713c","","","0.71073","MoKα","","0.0529","0.0475","","","0.1275","0.1308","","","","","","1.06","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123527","19.1593","0.0012","19.1593","0.0012","37.391","0.003","90","","90","","120","","11886.6","1.4","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C21 H13 N O10 Zn2 -","- C21.04 H6 N1.04 O10 Zn2 -","- C189.36 H54 N9.36 O90 Zn18 -","9","0.25","","Yu, Jiancan; Cui, Yuanjing; Wu, Chuan-De; Yang, Yu; Chen, Banglin; Qian, Guodong","Two-photon responsive metal-organic framework.","Journal of the American Chemical Society","2015","137","12","4026","4029","10.1021/ja512552g","","","0.71073","MoKα","","0.0683","0.0463","","","0.1189","0.1284","","","","","","1.169","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123528","19.18","0.002","19.18","0.002","37.368","0.004","90","","90","","120","","11905","2","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C21 H13 N O10 Zn2 -","- C21.04 H6 N1.04 O10 Zn2 -","- C189.36 H54 N9.36 O90 Zn18 -","9","0.25","","Yu, Jiancan; Cui, Yuanjing; Wu, Chuan-De; Yang, Yu; Chen, Banglin; Qian, Guodong","Two-photon responsive metal-organic framework.","Journal of the American Chemical Society","2015","137","12","4026","4029","10.1021/ja512552g","","","0.71073","MoKα","","0.0717","0.0483","","","0.1322","0.1443","","","","","","1.037","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123529","31.5198","0.0008","26.9873","0.0007","18.5832","0.0005","90","","90","","90","","15807.5","0.7","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144 H162 Au24 Cd S18 -","- C144 H162 Au24 Cd S18 -","- C576 H648 Au96 Cd4 S72 -","4","0.5","","Wang, Shuxin; Song, Yongbo; Jin, Shan; Liu, Xia; Zhang, Jun; Pei, Yong; Meng, Xiangming; Chen, Man; Li, Peng; Zhu, Manzhou","Metal exchange method using au25 nanoclusters as templates for alloy nanoclusters with atomic precision.","Journal of the American Chemical Society","2015","137","12","4018","4021","10.1021/ja511635g","","","1.54178","CuKα","","0.0407","0.0383","","","0.0993","0.1016","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123530","14.8446","0.0002","9.5407","0.0002","24.2172","0.0004","90","","98.274","0.001","90","","3394.13","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(13-TMC) cobalt(II) nitrite","","","- C37 H50 B Co N5 O2 -","- C37 H50 B Co N5 O2 -","- C148 H200 B4 Co4 N20 O8 -","4","1","","Kumar, Pankaj; Lee, Yong-Min; Park, Young Jun; Siegler, Maxime A.; Karlin, Kenneth D.; Nam, Wonwoo","Reactions of Co(III)-Nitrosyl Complexes with Superoxide and Their Mechanistic Insights.","Journal of the American Chemical Society","2015","137","13","4284","4287","10.1021/ja513234b","","","0.71073","","","0.0317","0.0289","","","0.0747","0.0765","","","","","","1.012","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123531","21.1749","0.0004","10.2395","0.0002","31.0614","0.0006","90","","92.662","0.001","90","","6727.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(12-TMC) cobalt(II) nitrite","","","- C36 H48 B Co N5 O2 -","- C36 H48 B Co N5 O2 -","- C288 H384 B8 Co8 N40 O16 -","8","2","","Kumar, Pankaj; Lee, Yong-Min; Park, Young Jun; Siegler, Maxime A.; Karlin, Kenneth D.; Nam, Wonwoo","Reactions of Co(III)-Nitrosyl Complexes with Superoxide and Their Mechanistic Insights.","Journal of the American Chemical Society","2015","137","13","4284","4287","10.1021/ja513234b","","","0.71073","","","0.0553","0.0399","","","0.0941","0.1014","","","","","","1.023","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4123532","9.0049","0.0003","12.5151","0.0003","18.9162","0.0005","90","","90.136","0.003","90","","2131.8","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(12-TMC) cobalt(III) nitroxyl perchlorate","","","- C12 H28 Cl2 Co N5 O9 -","- C12 H28 Cl2 Co N5 O9 -","- C48 H112 Cl8 Co4 N20 O36 -","4","1","","Kumar, Pankaj; Lee, Yong-Min; Park, Young Jun; Siegler, Maxime A.; Karlin, Kenneth D.; Nam, Wonwoo","Reactions of Co(III)-Nitrosyl Complexes with Superoxide and Their Mechanistic Insights.","Journal of the American Chemical Society","2015","137","13","4284","4287","10.1021/ja513234b","","","0.71073","MoKα","","0.0247","0.0244","","","0.0637","0.0639","","","","","","1.056","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123533","9.1092","0.0005","15.3973","0.0005","16.555","0.0007","90","","91.387","0.004","90","","2321.28","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(13-TMC) cobalt(III) nitroxyl perchlorate","","","- C15 H33 Cl2 Co N6 O9 -","- C15 H33 Cl2 Co N6 O9 -","- C60 H132 Cl8 Co4 N24 O36 -","4","1","","Kumar, Pankaj; Lee, Yong-Min; Park, Young Jun; Siegler, Maxime A.; Karlin, Kenneth D.; Nam, Wonwoo","Reactions of Co(III)-Nitrosyl Complexes with Superoxide and Their Mechanistic Insights.","Journal of the American Chemical Society","2015","137","13","4284","4287","10.1021/ja513234b","","","0.71073","MoKα","","0.0597","0.0563","","","0.1572","0.1604","","","","","","1.106","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123534","18.604","0.002","10.4802","0.0013","29.054","0.004","90","","106.588","0.004","90","","5429","1.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{(PPOMeP)Ni}2(N2)","","","- C50 H78 N2 Ni2 O2 P6 -","- C50 H78 N2 Ni2 O2 P6 -","- C200 H312 N8 Ni8 O8 P24 -","4","1","","Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho","Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.","Journal of the American Chemical Society","2015","137","13","4280","4283","10.1021/ja513112r","","","0.71073","MoKα","","0.0937","0.066","","","0.1757","0.1933","","","","","","1.096","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123535","11.7408","0.0006","15.3275","0.0008","32.1526","0.0016","90","","96.212","0.003","90","","5752.1","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(PPP)NiOPh","","","- C30 H41 Ni O P3 -","- C30 H41 Ni O P3 -","- C240 H328 Ni8 O8 P24 -","8","2","","Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho","Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.","Journal of the American Chemical Society","2015","137","13","4280","4283","10.1021/ja513112r","","","0.71073","MoKα","","0.0758","0.0439","","","0.1085","0.1263","","","","","","1.065","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123536","9.378","0.0004","12.5499","0.0006","13.2723","0.0006","95.613","0.003","95.551","0.003","95.189","0.003","1539.39","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","(PPOPhP)Ni(CO)","","","- C31 H41 Ni O2 P3 -","- C31 H41 Ni O2 P3 -","- C62 H82 Ni2 O4 P6 -","2","1","","Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho","Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.","Journal of the American Chemical Society","2015","137","13","4280","4283","10.1021/ja513112r","","","0.71073","MoKα","","0.0695","0.0445","","","0.0901","0.1074","","","","","","1.042","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123537","9.4421","0.0006","14.6722","0.0009","19.5739","0.0011","90","","92.947","0.002","90","","2708.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(PPOMeP)Ni(CO)","","","- C26 H39 Ni O2 P3 -","- C26 H39 Ni O2 P3 -","- C104 H156 Ni4 O8 P12 -","4","1","","Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho","Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.","Journal of the American Chemical Society","2015","137","13","4280","4283","10.1021/ja513112r","","","0.71073","MoKα","","0.0578","0.0396","","","0.0792","0.0853","","","","","","1.112","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123538","14.856","0.0006","14.9335","0.0006","30.0265","0.0011","90","","90","","90","","6661.4","0.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(PPP)Ni(OCOOMe)","","","- C33 H47 Ni O3 P3 -","- C33 H47 Ni O3 P3 -","- C264 H376 Ni8 O24 P24 -","8","1","","Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho","Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.","Journal of the American Chemical Society","2015","137","13","4280","4283","10.1021/ja513112r","","","0.71073","MoKα","","0.0855","0.0404","","","0.0921","0.1213","","","","","","1.121","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123539","14.142","0.003","12.831","0.003","17.562","0.004","90","","90","","90","","3186.7","1.2","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","{(PPMeP)NiI}{I(MeOH)}","","","- C26 H43 I2 Ni O P3 -","- C26 H43 I2 Ni O P3 -","- C104 H172 I8 Ni4 O4 P12 -","4","0.5","","Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho","Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.","Journal of the American Chemical Society","2015","137","13","4280","4283","10.1021/ja513112r","","","0.71073","MoKα","","0.0665","0.0444","","","0.1109","0.1357","","","","","","1.086","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123540","7.69","0.009","17.32","0.02","6.498","0.007","90","","90","","90","","865.5","1.7","313","2","313","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H10 Cl3 Mn N -","- C4 H10 Cl3 Mn N -","- C16 H40 Cl12 Mn4 N4 -","4","0.25","","Zhang, Yi; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Chen, Zhong-Ning; Xiong, Ren-Gen","Highly Efficient Red-Light Emission in An Organic-Inorganic Hybrid Ferroelectrics: (Pyrrolidinium)MnCl3.","Journal of the American Chemical Society","2015","","","150327131753005","","10.1021/jacs.5b01680","","","0.71073","MoKα","","0.045","0.0429","","","0.1247","0.1261","","","","","","1.241","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123541","12.181","0.003","11.497","0.003","19.231","0.005","90","","108.349","0.003","90","","2556.3","1.1","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H24 Cl2 N2 O4 S -","- C27 H24 Cl2 N2 O4 S -","- C108 H96 Cl8 N8 O16 S4 -","4","2","","Zhang, Lei; Liu, Honglei; Qiao, Guanyu; Hou, Zhanfeng; Liu, Yang; Xiao, Yumei; Guo, Hongchao","Phosphine-Catalyzed Highly Enantioselective [3 + 3] Cycloaddition of Morita-Baylis-Hillman Carbonates with C,N-Cyclic Azomethine Imines.","Journal of the American Chemical Society","2015","","","150327094845007","","10.1021/jacs.5b01138","","","0.71073","MoKα","","0.0334","0.0326","","","0.0723","0.0729","","","","","","1.07","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123542","20.9728","0.0005","18.7149","0.0005","25.7811","0.0007","90","","97.335","0.003","90","","10036.4","0.5","100","2","100.15","","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C180 H116 Ag20 Au24 Cl2 N4 O4 S4 -","- C180 H116 Ag20 Au24 Cl2 N4 S4 -","- C360 H232 Ag40 Au48 Cl4 N8 S8 -","2","0.5","","Wang, Yu; Su, Haifeng; Xu, Chaofa; Li, Gang; Gell, Lars; Lin, Shuichao; Tang, Zichao; Häkkinen, Hannu; Zheng, Nanfeng","An Intermetallic Au24Ag20 Superatom Nanocluster Stabilized by Labile Ligands.","Journal of the American Chemical Society","2015","","","150327131618002","","10.1021/jacs.5b01232","","","1.54184","CuKα","","0.079","0.0696","","","0.1867","0.1932","","","","","","1.088","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123543","48.626","0.006","38.971","0.005","40.431","0.005","90","","90.252","0.004","90","","76616","17","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C520 H672 Au133 S52 -","- C400 Au133 S52 -","- C1600 Au532 S208 -","4","0.5","","Dass, Amala; Theivendran, Shevanuja; Nimmala, Praneeth Reddy; Kumara, Chanaka; Jupally, Vijay Reddy; Fortunelli, Alessandro; Sementa, Luca; Barcaro, Giovanni; Zuo, Xiaobing; Noll, Bruce C.","Au133(SPh-tBu)52 Nanomolecules: X-ray Crystallography, Optical, Electrochemical, and Theoretical Analysis.","Journal of the American Chemical Society","2015","137","14","4610","4613","10.1021/ja513152h","","","0.71073","MoKα","","0.1591","0.0841","","","0.227","0.2829","","","","","","1.327","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123544","10.128","0.005","10.623","0.003","17.485","0.01","74.67","0.03","76.59","0.03","62.93","0.03","1601.8","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(cAAC)P(Ph)2+ Cl-","","","- C71 H90 Cl2 N2 P2 -","- C71 H90 Cl2 N2 P2 -","- C71 H90 Cl2 N2 P2 -","1","0.5","","Roy, Sudipta; Stückl, A Claudia; Demeshko, Serhiy; Dittrich, Birger; Meyer, Jann; Maity, Bholanath; Koley, Debasis; Schwederski, Brigitte; Kaim, Wolfgang; Roesky, Herbert W.","Stable Radicals from Commonly Used Precursors Trichlorosi-lane and Diphenylchlorophosphine.","Journal of the American Chemical Society","2015","","","150403102455008","","10.1021/jacs.5b02403","","","0.6199","","","0.06","0.0444","","","0.1125","0.1213","","","","","","1.032","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123545","16.3343","0.001","11.2426","0.0007","16.7723","0.0011","90","","101.258","0.003","90","","3020.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Cl2 N P Si -","- C32 H41 Cl2 N P Si -","- C128 H164 Cl8 N4 P4 Si4 -","4","1","","Roy, Sudipta; Stückl, A Claudia; Demeshko, Serhiy; Dittrich, Birger; Meyer, Jann; Maity, Bholanath; Koley, Debasis; Schwederski, Brigitte; Kaim, Wolfgang; Roesky, Herbert W.","Stable Radicals from Commonly Used Precursors Trichlorosi-lane and Diphenylchlorophosphine.","Journal of the American Chemical Society","2015","","","150403102455008","","10.1021/jacs.5b02403","","","1.54178","CuKα","","0.0503","0.0473","","","0.1447","0.1487","","","","","","1.112","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123546","6.3483","0.0004","8.5872","0.0005","35.965","0.002","90","","90","","90","","1960.6","0.2","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O2 Si -","- C21 H32 O2 Si -","- C84 H128 O8 Si4 -","4","1","","Shvartsbart, Artem; Smith, 3rd, Amos B","The daphniphyllum alkaloids: total synthesis of (-)-calyciphylline N.","Journal of the American Chemical Society","2015","137","10","3510","3519","10.1021/ja503899t","","","0.71073","MoKα","","0.0312","0.0303","","","0.0768","0.0777","","","","","","1.081","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123547","17.973","0.004","32.859","0.007","18.607","0.004","90","","90","","90","","10989","4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C104 H88 Au10 Cl2 P8 S4 -","- C104 H88 Au10 Cl2 P8 S4 -","- C416 H352 Au40 Cl8 P32 S16 -","4","1","","Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Photoinduced isomerization-driven structural transformation between decanuclear and octadecanuclear gold(i) sulfido clusters.","Journal of the American Chemical Society","2015","137","10","3506","3509","10.1021/jacs.5b01676","","","0.7499","","","0.0485","0.0483","","","0.1256","0.1259","","","","","","1.024","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123548","9.069","0.002","9.142","0.002","11.705","0.003","97.165","0.005","104.869","0.004","94.914","0.004","923.6","0.4","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C48 H42 N2 O4 -","2","1","","Tao, Zhong-Lin; Li, Xing-Han; Han, Zhi-Yong; Gong, Liu-Zhu","Diastereoselective carbonyl allylation with simple olefins enabled by palladium complex-catalyzed C-h oxidative borylation.","Journal of the American Chemical Society","2015","137","12","4054","4057","10.1021/jacs.5b00507","","","0.71073","MoKα","","0.0743","0.0465","","","0.1008","0.1145","","","","","","1.01","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123549","8.835","0.0012","9.8561","0.0014","20.447","0.003","87.89","0.002","83.555","0.002","66.505","0.002","1622.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Fe Ni P2 -","- C42 H40 Fe Ni P2 -","- C84 H80 Fe2 Ni2 P4 -","2","1","","Yin, Guoyin; Kalvet, Indrek; Englert, Ulli; Schoenebeck, Franziska","Fundamental Studies and Development of Nickel-Catalyzed Trifluoromethylthiolation of Aryl Chlorides: Active Catalytic Species and Key Roles of Ligand and Traceless MeCN Additive Revealed.","Journal of the American Chemical Society","2015","137","12","4164","4172","10.1021/jacs.5b00538","","","0.71073","","","0.0477","0.0389","","","0.0977","0.1033","","","","","","1.035","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123550","9.5468","0.001","10.9875","0.0012","17.402","0.002","96.424","0.002","104.691","0.002","104.454","0.002","1679.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","IK_N237 = u14_18","","","- C40 H34 Cl Fe Ni P2 -","- C40 H34 Cl Fe Ni P2 -","- C80 H68 Cl2 Fe2 Ni2 P4 -","2","1","","Yin, Guoyin; Kalvet, Indrek; Englert, Ulli; Schoenebeck, Franziska","Fundamental Studies and Development of Nickel-Catalyzed Trifluoromethylthiolation of Aryl Chlorides: Active Catalytic Species and Key Roles of Ligand and Traceless MeCN Additive Revealed.","Journal of the American Chemical Society","2015","137","12","4164","4172","10.1021/jacs.5b00538","","","0.71073","MoKα","","0.0463","0.0346","","","0.0759","0.0812","","","","","","1.092","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123551","10.013","0.002","21.303","0.004","10.071","0.002","90","","103.21","0.03","90","","2091.4","0.8","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C18 H48 N18 O18 S6 -","- C18 H48 N18 O18 S6 -","- C36 H96 N36 O36 S12 -","2","0.25","","Liu, Yuzhou; Xiao, Wenchang; Yi, Jin Ju; Hu, Chunhua; Park, Sang-Jae; Ward, Michael D.","Regulating the Architectures of Hydrogen-Bonded Frameworks through Topological Enforcement.","Journal of the American Chemical Society","2015","137","9","3386","3392","10.1021/jacs.5b00534","","","0.71073","MoKα","","0.1552","0.0724","","","0.1579","0.1814","","","","","","1.005","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123552","7.4352","0.0002","9.87","0.0003","10.2119","0.0003","74.408","0.001","82.628","0.001","87.02","0.001","715.74","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H34 N12 O12 S4 -","- C14 H34 N12 O12 S4 -","- C14 H34 N12 O12 S4 -","1","0.5","","Liu, Yuzhou; Xiao, Wenchang; Yi, Jin Ju; Hu, Chunhua; Park, Sang-Jae; Ward, Michael D.","Regulating the Architectures of Hydrogen-Bonded Frameworks through Topological Enforcement.","Journal of the American Chemical Society","2015","137","9","3386","3392","10.1021/jacs.5b00534","","","0.71073","MoKα","","0.032","0.029","","","0.0812","0.0834","","","","","","1.057","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123553","7.3536","0.0014","12.29","0.002","17.228","0.003","98.787","0.002","92.441","0.002","94.135","0.002","1532.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H54 N12 O14 S4 -","- C40 H54 N12 O14 S4 -","- C40 H54 N12 O14 S4 -","1","0.5","","Liu, Yuzhou; Xiao, Wenchang; Yi, Jin Ju; Hu, Chunhua; Park, Sang-Jae; Ward, Michael D.","Regulating the Architectures of Hydrogen-Bonded Frameworks through Topological Enforcement.","Journal of the American Chemical Society","2015","137","9","3386","3392","10.1021/jacs.5b00534","","","0.71073","MoKα","","0.0935","0.0607","","","0.161","0.1743","","","","","","1.026","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123554","9.1698","0.001","11.1071","0.0013","19.663","0.002","90","","101.538","0.004","90","","1962.2","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","1","","Dateer, Ramesh B.; Chang, Sukbok","Selective Cyclization of Arylnitrones to Indolines under External Oxidant-Free Conditions: Dual Role of Rh(III) Catalyst in the C-H Activation and Oxygen Atom Transfer.","Journal of the American Chemical Society","2015","","","150408130942007","","10.1021/jacs.5b01065","","","0.71073","MoKα","","0.1405","0.0914","","","0.174","0.1909","","","","","","1.142","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123555","25.097","0.006","12.774","0.004","12.636","0.003","90","","108.232","0.011","90","","3847.6","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H8 F6 Ga O5 -","- C17 H8 F6 Ga O5 -","- C136 H64 F48 Ga8 O40 -","8","1","","Aguirre-Díaz, Lina María; Gándara, Felipe; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles","Tunable catalytic activity of solid solution metal-organic frameworks in one-pot multicomponent reactions.","Journal of the American Chemical Society","2015","137","19","6132","6135","10.1021/jacs.5b02313","","","1.54178","CuKα","","0.1474","0.0661","","","0.1583","0.1913","","","","","","0.908","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123556","18.6531","0.0006","17.7478","0.0006","11.4205","0.0004","90","","116.229","0.002","90","","3391.5","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H58 Ni2 S2 -","- C34 H58 Ni2 S2 -","- C136 H232 Ni8 S8 -","4","0.5","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","0.71073","Mo-Kα","","0.0461","0.0332","","","0.082","0.0883","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123557","13.5182","0.0004","13.5182","0.0004","50.6155","0.0016","90","","90","","120","","8010.4","0.4","100","","100","","","","","","","","","6","P 65","P 65","170","","","","- C51 H87 B F4 Ni3 S4 -","- C51 H87 B F4 Ni3 S4 -","- C306 H522 B6 F24 Ni18 S24 -","6","1","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","x-ray","0.71073","MoKα","","0.1022","0.0756","","","0.1734","0.1899","","","","","","0.807","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123558","20.995","0.004","11.757","0.002","21.175","0.004","90","","99.84","0.03","90","","5149.9","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H88 Co Ni2 S2 -","- C54 H88 Co Ni2 S2 -","- C216 H352 Co4 Ni8 S8 -","4","1","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","0.71073","Mo-Kα","","0.0404","0.028","","","0.0642","0.0697","","","","","","1.032","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123559","18.5781","0.0005","17.6925","0.0005","11.6287","0.0003","90","","115.355","0.0012","90","","3454.08","0.17","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H58 Ni2 Se2 -","- C34 H58 Ni2 Se2 -","- C136 H232 Ni8 Se8 -","4","0.5","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","0.71073","MoKα","","0.0289","0.0232","","","0.0945","0.1018","","","","","","0.843","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123560","13.4762","0.0003","13.9696","0.0003","18.0467","0.0005","92.383","0.001","106.26","0.001","116.849","0.001","2853.38","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H89 B Cl2 F4.02 Ni3 Se4 -","- C52 H89 B Cl2 F4 Ni3 Se4 -","- C104 H178 B2 Cl4 F8 Ni6 Se8 -","2","1","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","1.54178","CuKα","","0.0279","0.0274","","","0.1145","0.1154","","","","","","1.084","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4123561","21.2558","0.0005","11.8529","0.0003","21.0283","0.0005","90","","100.397","0.001","90","","5210.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H88 Co Ni2 Se2 -","- C54 H88 Co Ni2 Se2 -","- C216 H352 Co4 Ni8 Se8 -","4","1","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","0.71073","MoKα","","0.0227","0.0186","","","0.0464","0.0482","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123562","12.5609","0.0004","18.0426","0.0006","20.2071","0.0006","72.348","0.002","89.893","0.002","84.415","0.002","4341.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H58 Ni2 Te2 -","- C34 H58 Ni2 Te2 -","- C170 H290 Ni10 Te10 -","5","2.5","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","0.71073","MoKα","","0.064","0.0383","","","0.0721","0.0781","","","","","","1.2","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123563","16.2284","0.0006","18.9794","0.0008","21.5049","0.0008","90","","90","","90","","6623.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H58 B F4 Ni -","- C34 H58 B F4 Ni -","- C272 H464 B8 F32 Ni8 -","8","1","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","0.71073","MoKα","","0.0886","0.0435","","","0.0839","0.1019","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123564","5.7018","0.0002","14.0359","0.0004","31.5795","0.001","90","","90","","90","","2527.3","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 Cl I O8 S -","- C23 H30 Cl I O8 S -","- C92 H120 Cl4 I4 O32 S4 -","4","1","","Yan, Wuming; Li, Zhanjie; Kishi, Yoshito","Selective activation/coupling of polyhalogenated nucleophiles in ni/cr-mediated reactions: synthesis of c1-c19 building block of halichondrin bs.","Journal of the American Chemical Society","2015","137","19","6219","6225","10.1021/jacs.5b03498","","","1.54178","CuKα","","0.0547","0.0531","","","0.1509","0.1516","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123565","15.5998","0.0006","10.9274","0.0005","46.7138","0.0019","90","","93.599","0.003","90","","7947.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{(cAAC)Si(P-Tip)}2","","","- C172 H271 N4 P4 Si4 -","- C172 H271 N4 P4 Si4 -","- C344 H542 N8 P8 Si8 -","2","0.5","","Roy, Sudipta; Dittrich, Birger; Mondal, Totan; Koley, Debasis; Stückl, A Claudia; Schwederski, Brigitte; Kaim, Wolfgang; John, Michael; Vasa, Suresh Kumar; Linser, Rasmus; Roesky, Herbert W.","Carbene supported dimer of heavier ketenimine analogue with p and si atoms.","Journal of the American Chemical Society","2015","137","19","6180","6183","10.1021/jacs.5b03407","","","1.54178","CuKα","","0.0778","0.0495","","","0.0986","0.1097","","","","","","1.026","","","","has coordinates,has disorder","138242","2020-10-21","18:00:00",""
"4123566","13.4765","0.0007","7.6816","0.0005","29.8008","0.0018","90","","90","","90","","3085","0.3","100","2","99.99","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H21 N -","- C19 H21 N -","- C152 H168 N8 -","8","2","","Manan, Rajith S.; Kilaru, Praveen; Zhao, Pinjing","Nickel-catalyzed hydroimination of alkynes.","Journal of the American Chemical Society","2015","137","19","6136","6139","10.1021/jacs.5b02272","","","1.54178","CuKα","","0.043","0.0385","","","0.1005","0.1038","","","","","","1.053","","","","has coordinates","138243","2020-10-21","18:00:00",""
"4123567","33.2","0.02","17.635","0.01","32.189","0.02","90","0.0014","115.319","0.0018","90","0.0014","17036","18","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C112 H178 Mo18 N9 Na O67 P4 S2 -","- C112 H178 Mo18 N9 Na O67 P4 S2 -","- C448 H712 Mo72 N36 Na4 O268 P16 S8 -","4","0.5","","Nakamura, Ippei; Miras, Haralampos N.; Fujiwara, Aya; Fujibayashi, Masaru; Song, Yu-Fei; Cronin, Leroy; Tsunashima, Ryo","Investigating the formation of ""molybdenum blues"" with gel electrophoresis and mass spectrometry.","Journal of the American Chemical Society","2015","137","20","6524","6530","10.1021/ja512758j","","","0.7107","MoKα","","0.1403","0.0885","","","0.2164","0.2571","","","","","","0.883","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4123568","18.0117","0.0002","27.284","0.0005","28.0044","0.0005","90","","90","","90","","13762.2","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C84.5 H186 Mo18 N7.5 O60 S2 -","- C84.5 H186 Mo18 N7.5 O60 S2 -","- C338 H744 Mo72 N30 O240 S8 -","4","1","","Nakamura, Ippei; Miras, Haralampos N.; Fujiwara, Aya; Fujibayashi, Masaru; Song, Yu-Fei; Cronin, Leroy; Tsunashima, Ryo","Investigating the formation of ""molybdenum blues"" with gel electrophoresis and mass spectrometry.","Journal of the American Chemical Society","2015","137","20","6524","6530","10.1021/ja512758j","","","0.7107","MoKα","","0.068","0.0666","","","0.1882","0.1924","","","","","","1.439","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123569","26.067","0.004","18.903","0.003","31.276","0.005","90","","94.391","0.01","90","","15366","4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C118 H74 Ag8 F18 N24 O32 Ru6 S6 -","- C118 H74 Ag8 F18 N24 O32 Ru6 S6 -","- C472 H296 Ag32 F72 N96 O128 Ru24 S24 -","4","0.5","","Park, Yu Jin; Ryu, Ji Yeon; Begum, Halima; Lee, Min Hyung; Stang, Peter J.; Lee, Junseong","Selective Formation of Heterometallic Ru-Ag Supramolecules via Stoichiometric Control of Multiple Different Tectons.","Journal of the American Chemical Society","2015","137","18","5863","5866","10.1021/jacs.5b01253","","","0.71073","MoKα","","0.2223","0.1217","","","0.2727","0.308","","","","","","1.512","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123570","12.6592","0.0009","17.1136","0.0012","27.604","0.002","90","","98.746","0.002","90","","5910.7","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27.75 H32 Cl3 N4 O1.75 Ru2 -","- C27.75 H32 Cl3 N4 O1.75 Ru2 -","- C222 H256 Cl24 N32 O14 Ru16 -","8","1","","Park, Yu Jin; Ryu, Ji Yeon; Begum, Halima; Lee, Min Hyung; Stang, Peter J.; Lee, Junseong","Selective Formation of Heterometallic Ru-Ag Supramolecules via Stoichiometric Control of Multiple Different Tectons.","Journal of the American Chemical Society","2015","137","18","5863","5866","10.1021/jacs.5b01253","","","0.71073","MoKα","","0.0597","0.0394","","","0.0745","0.0805","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123571","21.3872","0.002","21.3872","0.002","21.3872","0.002","90","","90","","90","","9782.8","1.6","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C72 H24 O38 Y6 -","- C72 H24 O38 Y6 -","- C288 H96 O152 Y24 -","4","0.0208333","","Xue, Dong-Xu; Belmabkhout, Youssef; Shekhah, Osama; Jiang, Hao; Adil, Karim; Cairns, Amy J.; Eddaoudi, Mohamed","Tunable Rare Earth fcu-MOF Platform: Access to Adsorption Kinetics Driven Gas/Vapor Separations via Pore Size Contraction.","Journal of the American Chemical Society","2015","137","15","5034","5040","10.1021/ja5131403","","","1.54178","CuKα","","0.0572","0.056","","","0.1494","0.1506","","","","","","1.075","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123572","21.6883","0.0004","21.6883","0.0004","21.6883","0.0004","90","","90","","90","","10201.8","0.3","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C72 H24 Eu6 O38 -","- C72 H24 Eu6 O38 -","- C288 H96 Eu24 O152 -","4","0.0208333","","Xue, Dong-Xu; Belmabkhout, Youssef; Shekhah, Osama; Jiang, Hao; Adil, Karim; Cairns, Amy J.; Eddaoudi, Mohamed","Tunable Rare Earth fcu-MOF Platform: Access to Adsorption Kinetics Driven Gas/Vapor Separations via Pore Size Contraction.","Journal of the American Chemical Society","2015","137","15","5034","5040","10.1021/ja5131403","","","1.54178","CuKα","","0.0521","0.0514","","","0.1328","0.1335","","","","","","1.121","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123573","21.6843","0.0003","21.6843","0.0003","21.6843","0.0003","90","","90","","90","","10196.2","0.2","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C72 H24 O38 Tb6 -","- C72 H24 O38 Tb6 -","- C288 H96 O152 Tb24 -","4","0.0208333","","Xue, Dong-Xu; Belmabkhout, Youssef; Shekhah, Osama; Jiang, Hao; Adil, Karim; Cairns, Amy J.; Eddaoudi, Mohamed","Tunable Rare Earth fcu-MOF Platform: Access to Adsorption Kinetics Driven Gas/Vapor Separations via Pore Size Contraction.","Journal of the American Chemical Society","2015","137","15","5034","5040","10.1021/ja5131403","","","1.54178","CuKα","","0.0479","0.0469","","","0.1264","0.1278","","","","","","1.105","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123574","28.3226","0.0019","10.5984","0.0007","16.3567","0.0008","90","","113.507","0.003","90","","4502.4","0.5","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 F3 N3 O2 -","- C24 H20 F3 N3 O2 -","- C192 H160 F24 N24 O16 -","8","1","","Chang, Fang-Yuan; Ternei, Melinda A.; Calle, Paula Y.; Brady, Sean F.","Targeted metagenomics: finding rare tryptophan dimer natural products in the environment.","Journal of the American Chemical Society","2015","137","18","6044","6052","10.1021/jacs.5b01968","","","0.71073","MoKα","","0.0738","0.0486","","","0.1383","0.1502","","","","","","1.058","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123575","9.6888","0.0011","13.3356","0.0015","18.584","0.002","90","","102.392","0.0019","90","","2345.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 B2 N2 -","- C28 H32 B2 N2 -","- C112 H128 B8 N8 -","4","1","","Baggett, Andrew W.; Vasiliu, Monica; Li, Bo; Dixon, David A.; Liu, Shih-Yuan","Late-Stage Functionalization of 1,2-Dihydro-1,2-azaborines via Regioselective Iridium-Catalyzed C-H Borylation: The Development of a New N,N-Bidentate Ligand Scaffold.","Journal of the American Chemical Society","2015","","","150420130653009","","10.1021/jacs.5b01916","","","0.71073","MoKα","","0.0627","0.0466","","","0.118","0.1286","","","","","","1.044","","","","has coordinates","136275","2020-10-21","18:00:00",""
"4123576","6.7268","0.0007","12.1525","0.001","14.3989","0.0015","75.871","0.002","85.192","0.004","89.437","0.003","1137.38","0.19","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H14 Br F13 O3 -","- C20 H14 Br F13 O3 -","- C40 H28 Br2 F26 O6 -","2","2","","Woźniak, Łukasz; Murphy, John J.; Melchiorre, Paolo","Photo-organocatalytic Enantioselective Perfluoroalkylation of β-Ketoesters.","Journal of the American Chemical Society","2015","137","17","5678","5681","10.1021/jacs.5b03243","","","0.71073","MoKα","","0.0307","0.0285","","","0.0778","0.0869","","","","","","1.087","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123577","7.2838","0.0003","7.068","0.0003","8.6698","0.0003","90","","100.133","0.001","90","","439.38","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","AM-II-21","sarpong101","","- C10 H14 O2 -","- C10 H14 O2 -","- C20 H28 O4 -","2","1","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0255","0.0254","","","0.0646","0.0646","","","","","","1.097","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123578","18.8316","0.0004","18.8316","0.0004","6.8064","0.0002","90","","90","","120","","2090.37","0.09","100","2","100","2","","","","","","","","3","P 32","P 32","145","AM-II-2","sarpong93","","- C10 H16 O2 -","- C10 H16 O2 -","- C90 H144 O18 -","9","3","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0296","0.0284","","","0.0693","0.0703","","","","","","1.047","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123579","14.7746","0.0008","11.4265","0.0006","8.8009","0.0004","90","","90","","90","","1485.79","0.13","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","TACN","1,4,7-triazacyclononane","","- C6 H15 N3 -","- C6 H15 N3 -","- C48 H120 N24 -","8","2","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","1.54178","CuKα","","0.051","0.0508","","","0.1258","0.1261","","","","","","1.067","","","","has coordinates","138212","2020-10-21","18:00:00",""
"4123580","13.8404","0.0003","14.4921","0.0003","14.5521","0.0004","60.468","0.003","80.794","0.002","85.313","0.002","2506.87","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","tris(1-aza-4,7-diazonia-9-phosphatricyclo[5.3.2.1^4,9^]tridecane-P)-gold(i) chloride (hydrogen chloride) octahydrate","","- C27 H78.06 Au Cl8.5 N9 O8.28 P3 -","- C27 H65 Au Cl8.5 N9 O8.281 P3 -","- C54 H130 Au2 Cl17 N18 O16.562 P6 -","2","1","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","0.71073","MoKα","","0.0372","0.0307","","","0.0697","0.072","","","","","","1.037","","","","has coordinates,has disorder","138212","2020-10-21","18:00:00",""
"4123581","6.7179","0.0003","13.0596","0.0005","14.888","0.0007","90","","93.141","0.004","90","","1304.21","0.1","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-aza-4,7-diazonia-9-phosphatricyclo[5.3.2.1^4,9^]tridecane dichloride","","- C9 H20 Cl2 N3 P -","- C9 H20 Cl2 N3 P -","- C36 H80 Cl8 N12 P4 -","4","1","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","1.54178","CuKα","","0.0358","0.0356","","","0.0957","0.0959","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123582","15.5458","0.0008","7.0673","0.0003","40.9852","0.0017","90","","99.247","0.005","90","","4444.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,4,7-triazonia-9-phosphatricyclo[5.3.2.1^4,9^]tridecane trichloride hydrate","","- C9 H23.66 Cl3 N3 O1.33 P -","- C9 H23.6667 Cl3 N3 O1.33333 P -","- C108 H284 Cl36 N36 O16 P12 -","12","3","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","1.54178","CuKα","","0.0443","0.0419","","","0.1153","0.1174","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123583","20.889","0.0004","20.889","0.0004","25.8131","0.0009","90","","90","","120","","9754.5","0.4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","tris(1-aza-4,7-diazonia-9-phosphatricyclo[5.3.2.1^4,9^]tridecane-P)-gold(i) heptachloride (hydrogen chloride) octadecahydrate","","- C27 H98.31 Au Cl8.67 N9 O18.32 P3 -","- C27 H66 Au Cl8.669 N9 O18.326 P3 -","- C162 H396 Au6 Cl52.014 N54 O109.956 P18 -","6","0.333333","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","1.54178","CuKα","","0.0391","0.0378","","","0.1033","0.1052","","","","","","1.099","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123584","15.7917","0.0002","15.7917","0.0002","15.7917","0.0002","90","","90","","90","","3938.1","0.09","100","1","100","1","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","1,4,7-triaza-9-phosphatricyclo[5.3.2.1^4,9^]tridecane","","- C9 H18 N3 P -","- C9 H18 N3 P -","- C144 H288 N48 P16 -","16","0.333333","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","0.71073","MoKα","","0.0232","0.0224","","","0.0593","0.0597","","","","","","1.232","","","","has coordinates","138212","2020-10-21","18:00:00",""
"4123585","7.1949","0.0001","40.3998","0.0007","12.0121","0.0002","90","","95.896","0.002","90","","3473.12","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tris(1,4,7-triaza-9-phosphatricyclo[5.3.2.1^4,9^]tridecane-P)-gold(i) dicyanoaurate(i)","","- C29 H54 Au2 N11 P3 -","- C29 H54 Au2 N11 P3 -","- C116 H216 Au8 N44 P12 -","4","2","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","1.54178","CuKα","","0.0242","0.023","","","0.0577","0.0581","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123586","9.4937","0.0001","9.4937","0.0001","6.9591","0.0002","90","","90","","120","","543.194","0.018","100","2","100","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","PTA","1,3,5-triaza-7-phosphaadamantane","","- C6 H12 N3 P -","- C6 H12 N3 P -","- C18 H36 N9 P3 -","3","0.166667","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","0.71073","MoKα","","0.0165","0.0163","","","0.0493","0.0494","","","","","","1.199","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123587","6.5577","0.0008","7.6142","0.001","25.315","0.003","90","","90","","90","","1264","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4-dinitrophenol 4-methylpyridine-N-oxide","","- C12 H11 N3 O6 -","- C12 H11 N3 O6 -","- C48 H44 N12 O24 -","4","1","","Sigala, Paul A.; Ruben, Eliza A.; Liu, Corey W.; Piccoli, Paula M. B.; Hohenstein, Edward G.; Martínez, Todd J; Schultz, Arthur J.; Herschlag, Daniel","Determination of Hydrogen Bond Structure in Water versus Aprotic Environments To Test the Relationship Between Length and Stability.","Journal of the American Chemical Society","2015","137","17","5730","5740","10.1021/ja512980h","","","0.71073","MoKα","","0.0694","0.0428","","","0.0948","0.1044","","","","","","1.025","","","","has coordinates","138257","2020-10-21","18:00:00",""
"4123588","6.8204","0.0013","7.4543","0.0014","28.371","0.005","90","","90","","90","","1442.4","0.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4-dinitrophenol 4-dimethylaminopyridine-N-oxide","","- C13 H14 N4 O6 -","- C13 H14 N4 O6 -","- C52 H56 N16 O24 -","4","1","","Sigala, Paul A.; Ruben, Eliza A.; Liu, Corey W.; Piccoli, Paula M. B.; Hohenstein, Edward G.; Martínez, Todd J; Schultz, Arthur J.; Herschlag, Daniel","Determination of Hydrogen Bond Structure in Water versus Aprotic Environments To Test the Relationship Between Length and Stability.","Journal of the American Chemical Society","2015","137","17","5730","5740","10.1021/ja512980h","","","0.71073","MoKα","","0.0365","0.0288","","","0.0672","0.0708","","","","","","1.007","","","","has coordinates","138257","2020-10-21","18:00:00",""
"4123589","6.6545","0.0004","6.73","0.0004","14.506","0.0009","87.781","0.001","80.552","0.001","70.187","0.001","602.8","0.06","273","2","173","2","","","","","","","","4","P -1","-P 1","2","","4-nitrophenol 4-methoxypyridine-N-oxide","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C24 H24 N4 O10 -","2","1","","Sigala, Paul A.; Ruben, Eliza A.; Liu, Corey W.; Piccoli, Paula M. B.; Hohenstein, Edward G.; Martínez, Todd J; Schultz, Arthur J.; Herschlag, Daniel","Determination of Hydrogen Bond Structure in Water versus Aprotic Environments To Test the Relationship Between Length and Stability.","Journal of the American Chemical Society","2015","137","17","5730","5740","10.1021/ja512980h","","","0.71073","MoKα","","0.0699","0.051","","","0.1333","0.1459","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123590","9.9407","0.0005","13.6994","0.0007","15.9341","0.0008","90","","102.389","0.001","90","","2119.4","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-dinitrosalicylate N,N,N',N'-tetramethyl-1,8-napthalenediamine","","- C21 H22 N4 O7 -","- C21 H22 N4 O7 -","- C84 H88 N16 O28 -","4","1","","Sigala, Paul A.; Ruben, Eliza A.; Liu, Corey W.; Piccoli, Paula M. B.; Hohenstein, Edward G.; Martínez, Todd J; Schultz, Arthur J.; Herschlag, Daniel","Determination of Hydrogen Bond Structure in Water versus Aprotic Environments To Test the Relationship Between Length and Stability.","Journal of the American Chemical Society","2015","137","17","5730","5740","10.1021/ja512980h","","","0.71073","MoKα","","0.0718","0.0531","","","0.143","0.1569","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123591","12.1833","0.0005","15.084","0.0007","19.3377","0.0008","68.159","0.004","76.357","0.003","85.68","0.003","3205.3","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C82 H53.59 Fe2 O14 S2 -","- C82 H53.58 Fe2 O14 S2 -","- C164 H107.16 Fe4 O28 S4 -","2","1","","Pariyar, Anand; Vijaykumar, Gonela; Bhunia, Mrinal; Dey, Suman Kr; Singh, Santosh K.; Kurungot, Sreekumar; Mandal, Swadhin K.","Switching closed-shell to open-shell phenalenyl: toward designing electroactive materials.","Journal of the American Chemical Society","2015","137","18","5955","5960","10.1021/jacs.5b00272","","x-ray","0.71073","MoKα","","0.0812","0.0617","","","0.1744","0.2026","","","","","","0.73","","","","has coordinates,has disorder","138204","2020-10-21","18:00:00",""
"4123592","13.4286","0.0009","9.6835","0.0006","21.6664","0.0014","90","","105.375","0.001","90","","2716.6","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H39 N O4 Si -","- C27 H39 N O4 Si -","- C108 H156 N4 O16 Si4 -","4","2","","Mizoguchi, Haruki; Micalizio, Glenn C.","Synthesis of Highly Functionalized Decalins via Metallacycle-Mediated Cross-Coupling.","Journal of the American Chemical Society","2015","137","20","6624","6628","10.1021/jacs.5b02107","","","0.71073","MoKα","","0.0504","0.0393","","","0.091","0.0979","","","","","","1.023","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4123593","22.6324","0.0003","23.4125","0.0003","23.4458","0.0004","118.407","0.0015","98.4848","0.0013","93.6179","0.0011","10680.4","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C119.16 H128.44 Cl0.78 Mn N7.89 O P -","- C119.162 H128.437 Cl0.781 Mn N7.8855 O P -","- C476.646 H513.746 Cl3.124 Mn4 N31.542 O4 P4 -","4","2","","Zaragoza, Jan Paulo T.; Baglia, Regina A.; Siegler, Maxime A.; Goldberg, David P.","Strong Inhibition of O-Atom Transfer Reactivity for Mn(IV)(O)(π-Radical-Cation)(Lewis Acid) versus Mn(V)(O) Porphyrinoid Complexes.","Journal of the American Chemical Society","2015","137","20","6531","6540","10.1021/jacs.5b00875","","","1.54178","CuKα","","0.0996","0.0861","","","0.2439","0.2572","","","","","","1.005","","","","has coordinates,has disorder","138227","2020-10-21","18:00:00",""
"4123594","17.17627","0.00019","33.6006","0.0003","19.614","0.0002","90","","101.108","0.0011","90","","11107.8","0.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C121.52 H130.29 Mn N10.76 O P -","- C121.524 H130.286 Mn N10.762 O P -","- C486.096 H521.144 Mn4 N43.048 O4 P4 -","4","1","","Zaragoza, Jan Paulo T.; Baglia, Regina A.; Siegler, Maxime A.; Goldberg, David P.","Strong Inhibition of O-Atom Transfer Reactivity for Mn(IV)(O)(π-Radical-Cation)(Lewis Acid) versus Mn(V)(O) Porphyrinoid Complexes.","Journal of the American Chemical Society","2015","137","20","6531","6540","10.1021/jacs.5b00875","","","1.54178","CuKα","","0.0768","0.0658","","","0.1749","0.1841","","","","","","1.043","","","","has coordinates,has disorder","138227","2020-10-21","18:00:00",""
"4123595","36.551","0.005","8.0489","0.0011","21.011","0.003","90","","121.355","0.002","90","","5278.6","1.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cl2 F3 Ir N3 O5 S -","- C23 H23 Cl2 F3 Ir N3 O5 S -","- C184 H184 Cl16 F24 Ir8 N24 O40 S8 -","8","1","","Ghatak, Tapas; Sarkar, Mithun; Dinda, Shrabani; Dutta, Indranil; Rahaman, S. M. Wahidur; Bera, Jitendra K.","Olefin oxygenation by water on an iridium center.","Journal of the American Chemical Society","2015","137","19","6168","6171","10.1021/jacs.5b03055","","","0.71073","MoKα","","0.0689","0.0427","","","0.1095","0.1242","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123596","9.912","0.003","9.935","0.003","11.311","0.004","83.284","0.005","76.674","0.005","87.013","0.005","1076.1","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H42 F6 Ir2 N6 O8 S2 -","- C44 H42 F6 Ir2 N6 O8 S2 -","- C44 H42 F6 Ir2 N6 O8 S2 -","1","0.5","","Ghatak, Tapas; Sarkar, Mithun; Dinda, Shrabani; Dutta, Indranil; Rahaman, S. M. Wahidur; Bera, Jitendra K.","Olefin oxygenation by water on an iridium center.","Journal of the American Chemical Society","2015","137","19","6168","6171","10.1021/jacs.5b03055","","","0.71073","MoKα","","0.0444","0.0366","","","0.0784","0.0819","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123597","11.0717","0.0008","11.9119","0.0008","13.5265","0.001","106.994","0.001","111.832","0.001","102.475","0.001","1473.95","0.18","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C56 H58 Cl4 F6 Ir2 N6 O10 S2 -","- C56 H58 Cl4 F6 Ir2 N6 O10 S2 -","- C56 H58 Cl4 F6 Ir2 N6 O10 S2 -","1","1","","Ghatak, Tapas; Sarkar, Mithun; Dinda, Shrabani; Dutta, Indranil; Rahaman, S. M. Wahidur; Bera, Jitendra K.","Olefin oxygenation by water on an iridium center.","Journal of the American Chemical Society","2015","137","19","6168","6171","10.1021/jacs.5b03055","","","0.71073","MoKα","","0.0251","0.0234","","","0.0604","0.061","","","","","","0.975","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123598","14.8901","0.0011","12.4296","0.0009","21.2779","0.0015","90","","90.968","0.001","90","","3937.5","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cl2 F3 Ir N8 O4 S -","- C40 H36 Cl2 F3 Ir N8 O4 S -","- C160 H144 Cl8 F12 Ir4 N32 O16 S4 -","4","1","","Ghatak, Tapas; Sarkar, Mithun; Dinda, Shrabani; Dutta, Indranil; Rahaman, S. M. Wahidur; Bera, Jitendra K.","Olefin oxygenation by water on an iridium center.","Journal of the American Chemical Society","2015","137","19","6168","6171","10.1021/jacs.5b03055","","","0.71073","MoKα","","0.0377","0.0277","","","0.0627","0.0662","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123599","12.5048","0.0002","10.2076","0.0002","16.5702","0.0003","90","","105.106","0.001","90","","2042","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Co N3 -","- C22 H34 Co N3 -","- C88 H136 Co4 N12 -","4","1","","Obligacion, Jennifer V.; Neely, Jamie M.; Yazdani, Aliza N.; Pappas, Iraklis; Chirik, Paul J.","Cobalt catalyzed z-selective hydroboration of terminal alkynes and elucidation of the origin of selectivity.","Journal of the American Chemical Society","2015","137","18","5855","5858","10.1021/jacs.5b00936","","","1.54178","CuKα","","0.0499","0.0421","","","0.0981","0.1031","","","","","","1.035","","","","has coordinates","138205","2020-10-21","18:00:00",""
"4123600","11.1208","0.0011","16.8515","0.0016","28.026","0.003","103.608","0.005","95.405","0.005","99.141","0.006","4992.3","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H49 B Co N3 O2 -","- C35 H49 B Co N3 O2 -","- C210 H294 B6 Co6 N18 O12 -","6","3","","Obligacion, Jennifer V.; Neely, Jamie M.; Yazdani, Aliza N.; Pappas, Iraklis; Chirik, Paul J.","Cobalt catalyzed z-selective hydroboration of terminal alkynes and elucidation of the origin of selectivity.","Journal of the American Chemical Society","2015","137","18","5855","5858","10.1021/jacs.5b00936","","","1.54178","CuKα","","0.2068","0.1094","","","0.2549","0.3015","","","","","","1.037","","","","has coordinates","138205","2020-10-21","18:00:00",""
"4123601","11.6301","0.0008","14.6628","0.001","18.6681","0.0013","68.484","0.001","89.078","0.001","70.126","0.001","2763.7","0.3","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H34 N2 O -","- C35 H34 N2 O -","- C140 H136 N8 O4 -","4","2","","Yamashita, Hiroaki; Ikezawa, Takahiro; Kobayashi, Yoichi; Abe, Jiro","Photochromic phenoxyl-imidazolyl radical complexes with decoloration rates from tens of nanoseconds to seconds.","Journal of the American Chemical Society","2015","137","15","4952","4955","10.1021/jacs.5b02353","","","0.71073","MoKα","","0.0638","0.0429","","","0.0981","0.1061","","","","","","1.199","","","","has coordinates","138209","2020-10-21","18:00:00",""
"4123602","18.8791","0.0008","21.8851","0.001","36.4305","0.0015","90","","100.405","0.004","90","","14804.5","1.1","100.01","0.1","100.01","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C88 H62 -","- C88 H62 -","- C704 H496 -","8","2","","Liu, Junzhi; Li, Bo-Wei; Tan, Yuan-Zhi; Giannakopoulos, Angelos; Sanchez-Sanchez, Carlos; Beljonne, David; Ruffieux, Pascal; Fasel, Roman; Feng, Xinliang; Müllen, Klaus","Toward cove-edged low band gap graphene nanoribbons.","Journal of the American Chemical Society","2015","137","18","6097","6103","10.1021/jacs.5b03017","","","1.54184","CuKα","","0.0989","0.0743","","","0.208","0.2355","","","","","","0.999","","","","has coordinates,has disorder","138206","2020-10-21","18:00:00",""
"4123603","13.4443","0.0002","16.3732","0.0002","25.7041","0.0004","91.53","0.0012","97.5727","0.0014","112.095","0.0015","5178.94","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C201 H132 B2 Cu2 F40 Fe2 N16 O10 -","- C201 H132 B2 Cu2 F40 Fe2 N16 O10 -","- C201 H132 B2 Cu2 F40 Fe2 N16 O10 -","1","0.5","","Hematian, Shabnam; Kenkel, Isabell; Shubina, Tatyana E.; Dürr, Maximilian; Liu, Jeffrey J.; Siegler, Maxime A.; Ivanovic-Burmazovic, Ivana; Karlin, Kenneth D.","Nitrogen Oxide Atom-Transfer Redox Chemistry; Mechanism of NO(g) to Nitrite Conversion Utilizing μ-oxo Heme-Fe(III)-O-Cu(II)(L) Constructs.","Journal of the American Chemical Society","2015","137","20","6602","6615","10.1021/jacs.5b02174","","","1.54178","CuKα","","0.0377","0.0361","","","0.1047","0.1064","","","","","","1.054","","","","has coordinates,has disorder","138214","2020-10-21","18:00:00",""
"4123604","11.0724","0.0003","11.5867","0.0003","12.3676","0.0004","110.731","0.003","105.499","0.003","99.599","0.002","1368.53","0.08","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C60 H60 F6 Fe N4 O7 Sb -","- C60 H60 F6 Fe N4 O7 Sb -","- C60 H60 F6 Fe N4 O7 Sb -","1","1","","Hematian, Shabnam; Kenkel, Isabell; Shubina, Tatyana E.; Dürr, Maximilian; Liu, Jeffrey J.; Siegler, Maxime A.; Ivanovic-Burmazovic, Ivana; Karlin, Kenneth D.","Nitrogen Oxide Atom-Transfer Redox Chemistry; Mechanism of NO(g) to Nitrite Conversion Utilizing μ-oxo Heme-Fe(III)-O-Cu(II)(L) Constructs.","Journal of the American Chemical Society","2015","137","20","6602","6615","10.1021/jacs.5b02174","","","1.54178","CuKα","","0.0213","0.0212","","","0.0556","0.0556","","","","","","1.029","","","","has coordinates,has disorder","138214","2020-10-21","18:00:00",""
"4123605","9.7091","0.0002","19.3628","0.0003","21.9984","0.0004","71.8792","0.0017","82.6473","0.0017","83.537","0.0017","3886.53","0.13","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C83 H39 B Cu F28 Fe N7 O -","- C83 H39 B Cu F28 Fe N7 O -","- C166 H78 B2 Cu2 F56 Fe2 N14 O2 -","2","1","","Hematian, Shabnam; Kenkel, Isabell; Shubina, Tatyana E.; Dürr, Maximilian; Liu, Jeffrey J.; Siegler, Maxime A.; Ivanovic-Burmazovic, Ivana; Karlin, Kenneth D.","Nitrogen Oxide Atom-Transfer Redox Chemistry; Mechanism of NO(g) to Nitrite Conversion Utilizing μ-oxo Heme-Fe(III)-O-Cu(II)(L) Constructs.","Journal of the American Chemical Society","2015","137","20","6602","6615","10.1021/jacs.5b02174","","","0.71073","MoKα","","0.0536","0.0443","","","0.12","0.126","","","","","","1.049","","","","has coordinates,has disorder","138214","2020-10-21","18:00:00",""
"4123606","26.038","0.006","17.781","0.004","15.709","0.003","90","","90","","90","","7273","3","110","","110","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C42 H36 N2 O6 -","- C42 H36 N2 O6 -","- C336 H288 N16 O48 -","8","0.5","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0706","0.0662","","","0.1885","0.1925","","","","","","1.21","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123607","27.283","0.011","17.314","0.007","15.915","0.006","90","","101.566","0.007","90","","7365","5","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 N2 O7 -","- C44 H36 N2 O7 -","- C352 H288 N16 O56 -","8","1","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.1297","0.1121","","","0.3303","0.3452","","","","","","1.056","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123608","7.901","0.004","20.348","0.009","27.634","0.013","90","","97.632","0.006","90","","4403","4","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 N2 O7 -","- C46 H41 N2 O7 -","- C184 H164 N8 O28 -","4","1","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0818","0.0676","","","0.1932","0.2062","","","","","","1.103","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123609","7.978","0.003","20.339","0.007","28.091","0.001","90","","95.529","0.005","90","","4537","2","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 N2 O6 -","- C42 H36 N2 O6 -","- C168 H144 N8 O24 -","4","1","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0827","0.0697","","","0.2173","0.23","","","","","","1.083","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123610","26.2108","","17.8309","","15.8034","","90","","90","","90","","7385.91","","110","","110","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C42.1 H36.1 Cl0.3 N2 O6 -","- C42.1 H36 Cl0.4 N2 O6 -","- C336.8 H288 Cl3.2 N16 O48 -","8","0.5","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.085","0.078","","","0.1915","0.1963","","","","","","1.167","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123611","7.9301","0.0019","20.066","0.005","28.171","0.007","90","","95.479","0.003","90","","4462.2","1.9","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 N2 O6 -","- C42 H36 N2 O6 -","- C168 H144 N8 O24 -","4","1","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0631","0.0557","","","0.1614","0.1669","","","","","","1.086","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123612","23.148","0.007","17.385","0.005","18.182","0.004","90","","90","","90","","7317","3","110","","110","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C42.5 H37 Cl N2 O6 -","- C42.5 H36 Cl N2 O6 -","- C340 H288 Cl8 N16 O48 -","8","0.5","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0698","0.0668","","","0.1873","0.191","","","","","","1.099","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123613","14.623","0.003","14.418","0.003","19.212","0.004","90","","110.272","0.003","90","","3799.7","1.4","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 N2 O7 -","- C46 H38 N2 O7 -","- C184 H152 N8 O28 -","4","1","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0628","0.0525","","","0.1358","0.1449","","","","","","1.03","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123614","15.709","0.004","15.886","0.004","15.961","0.004","90","","112.188","0.004","90","","3688.2","1.6","273","","273","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H38 Cl2 N2 O6 -","- C43 H38 Cl2 N2 O6 -","- C172 H152 Cl8 N8 O24 -","4","1","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0548","0.0449","","","0.1078","0.1144","","","","","","1.094","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123615","16.1265","0.0005","16.6649","0.0006","15.4756","0.0004","90","","91.161","0.003","90","","4158.2","0.2","302","2","302","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(dma)2[Li2Zr(ox)4]","","- C12 H16 Li2 N2 O16 Zr -","- C12 H16 Li2 N2 O16 Zr -","- C96 H128 Li16 N16 O128 Zr8 -","8","1","","Tominaka, Satoshi; Coudert, François-Xavier; Dao, Thang D.; Nagao, Tadaaki; Cheetham, Anthony K.","Insulator-to-Proton-Conductor Transition in a Dense Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","20","6428","6431","10.1021/jacs.5b02777","","","1.54184","CuKα","","0.0359","0.0303","","","0.0832","0.0898","","","","","","1.063","","","","has coordinates","138217","2020-10-21","18:00:00",""
"4123616","16.0091","0.0008","16.6385","0.0009","15.3534","0.0007","90","","90.834","0.004","90","","4089.2","0.4","120","0.14","120","0.14","","","","","","","","6","I 1 2/a 1","-I 2ya","15","dma2[Li2Zr(ox)4]","Lithium Zirconium Oxalate Dimethylammonium","","- C12 H16 Li2 N2 O16 Zr -","- C12 H16 Li2 N2 O16 Zr -","- C96 H128 Li16 N16 O128 Zr8 -","8","1","","Tominaka, Satoshi; Coudert, François-Xavier; Dao, Thang D.; Nagao, Tadaaki; Cheetham, Anthony K.","Insulator-to-Proton-Conductor Transition in a Dense Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","20","6428","6431","10.1021/jacs.5b02777","","","1.54184","CuKα","","0.0376","0.0322","","","0.0903","0.0969","","","","","","1.029","","","","has coordinates","138217","2020-10-21","18:00:00",""
"4123617","8.5302","0.0006","8.5902","0.0006","16.1582","0.0012","89.309","0.006","78.004","0.006","68.812","0.006","1077.28","0.14","299","6","299","6","","","","","","","","6","P 1","P 1","1","","Lithium zirconium oxalate dimethiyammonium hydrate","","- C24 H34 Li4 N4 O33 Zr2 -","- C24 H34 Li4 N4 O33 Zr2 -","- C24 H34 Li4 N4 O33 Zr2 -","1","1","","Tominaka, Satoshi; Coudert, François-Xavier; Dao, Thang D.; Nagao, Tadaaki; Cheetham, Anthony K.","Insulator-to-Proton-Conductor Transition in a Dense Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","20","6428","6431","10.1021/jacs.5b02777","","","1.54184","CuKα","","0.0473","0.0423","","","0.1136","0.1186","","","","","","1.069","","","","has coordinates,has disorder","138217","2020-10-21","18:00:00",""
"4123618","8.4752","0.0003","8.4797","0.0003","16.1725","0.0005","78.177","0.003","89.232","0.003","69.334","0.003","1062.21","0.07","120.05","0.1","120.05","0.1","","","","","","","","6","P 1","P 1","1","","Lithium zirconium oxalate dimethylammonium","","- C12 H17 Li2 N2 O16.5 Zr -","- C12 H17 Li2 N2 O16.5 Zr -","- C24 H34 Li4 N4 O33 Zr2 -","2","2","","Tominaka, Satoshi; Coudert, François-Xavier; Dao, Thang D.; Nagao, Tadaaki; Cheetham, Anthony K.","Insulator-to-Proton-Conductor Transition in a Dense Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","20","6428","6431","10.1021/jacs.5b02777","","","1.54184","CuKα","","0.0532","0.0459","","","0.135","0.1517","","","","","","1.085","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123619","10.301","0.0005","19.2677","0.0008","16.8297","0.0007","90","","100.001","0.002","90","","3289.5","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H80 F16 N4 Ni2 -","- C66 H80 F16 N4 Ni2 -","- C132 H160 F32 N8 Ni4 -","2","1","","Ohashi, Masato; Shirataki, Hiroshi; Kikushima, Kotaro; Ogoshi, Sensuke","Nickel-Catalyzed Formation of Fluorine-Containing Ketones via the Selective Cross-Trimerization Reaction of Tetrafluoroethylene, Ethylene, and Aldehydes.","Journal of the American Chemical Society","2015","137","20","6496","6499","10.1021/jacs.5b03587","","","0.71075","MoKα","","0.1301","0.0552","","","0.0866","0.1102","","","","","","0.983","","","","has coordinates,has disorder","138218","2020-10-21","18:00:00",""
"4123620","17.169","0.002","25.297","0.003","9.6723","0.0011","90","","90","","90","","4200.9","0.8","113","","113","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C41 H33 Cl3 Fe Ni P2 S6 -","- C41 H33 Cl3 Fe Ni P2 S6 -","- C164 H132 Cl12 Fe4 Ni4 P8 S24 -","4","1","","Tanushi, Akira; Kusamoto, Tetsuro; Hattori, Yohei; Takada, Kenji; Nishihara, Hiroshi","Spin-reconstructed proton-coupled electron transfer in a ferrocene-nickeladithiolene hybrid.","Journal of the American Chemical Society","2015","137","20","6448","6451","10.1021/jacs.5b02118","","","0.7107","MoKα","","","0.0257","","","","0.0573","","","","","","1.078","","","","has coordinates","138221","2020-10-21","18:00:00",""
"4123621","6.7177","0.0007","27.31","0.003","11.8448","0.0009","90","","99.883","0.007","90","","2140.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C104 H120 N8 O12 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.0727","0.0579","","","0.1299","0.139","","","","","","1.123","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123622","9.8046","0.0009","7.4469","0.0004","11.536","0.0007","90","","107.495","0.006","90","","803.33","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C38 H40 N4 O6 -","2","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.0547","0.0436","","","0.086","0.0922","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123623","7.6273","0.00018","13.8785","0.0004","15.3331","0.0004","90","","95.314","0.002","90","","1616.12","0.07","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.041","0.0379","","","0.0964","0.0988","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123624","7.4528","0.0004","14.995","0.003","14.995","0.003","90","","90","","90","","1675.8","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C76 H96 N8 O16 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.0654","0.0457","","","0.0824","0.0913","","","","","","1.107","","","","has coordinates","138223","2020-10-21","18:00:00",""
"4123625","9.3613","0.0003","12.1715","0.0004","17.8394","0.0006","90","","97.558","0.003","90","","2014.98","0.12","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Cl3 N2 O3 -","- C20 H23 Cl3 N2 O3 -","- C80 H92 Cl12 N8 O12 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0416","0.0363","","","0.0887","0.0925","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123626","10.0732","0.0009","7.4108","0.0003","25.386","0.002","90","","92.25","0.007","90","","1893.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cl2 N2 O3 -","- C20 H24 Cl2 N2 O3 -","- C80 H96 Cl8 N8 O12 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.0734","0.053","","","0.097","0.1056","","","","","","1.124","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123627","9.782","0.0003","7.49799","0.00019","11.2172","0.0003","90","","107.875","0.003","90","","783.01","0.04","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C38 H44 N4 O4 -","2","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0344","0.0341","","","0.0896","0.09","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123628","11.54889","0.00009","8.77611","0.00007","16.11647","0.00013","90","","104.651","0.0008","90","","1580.36","0.02","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0339","0.0335","","","0.0851","0.0855","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123629","16.5205","0.0019","16.738","0.003","18.753","0.003","95.956","0.012","91.273","0.01","103.102","0.011","5017.7","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Cl6 N2 O3 -","- C21 H24 Cl6 N2 O3 -","- C168 H192 Cl48 N16 O24 -","8","4","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.1309","0.0872","","","0.2172","0.256","","","","","","1.04","","","","has coordinates","138223","2020-10-21","18:00:00",""
"4123630","15.845","0.002","7.3477","0.0005","16.074","0.002","90","","90.063","0.012","90","","1871.4","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N2 O3.5 -","- C19 H23 N2 O3.5 -","- C76 H92 N8 O14 -","4","2","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.1147","0.0933","","","0.2432","0.2605","","","","","","1.056","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123631","11.3917","0.0002","16.06981","0.00017","9.85692","0.00017","90","","117.86","0.002","90","","1595.28","0.05","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0237","0.0237","","","0.0624","0.0624","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123632","8.05042","0.00013","14.5426","0.0002","15.2311","0.0003","90","","90","","90","","1783.17","0.05","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C80 H104 N8 O16 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0305","0.0304","","","0.079","0.0794","","","","","","1.068","","","","has coordinates","138223","2020-10-21","18:00:00",""
"4123633","17.3461","0.0002","13.787","0.0002","7.60339","0.00011","90","","90","","90","","1818.36","0.04","140","2","140","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0355","0.0347","","","0.0963","0.0977","","","","","","1.052","","","","has coordinates,has disorder","138223","2020-10-21","18:00:00",""
"4123634","7.5454","0.0006","14.63","0.0015","16.0308","0.0013","90","","90","","90","","1769.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.0547","0.0474","","","0.1076","0.1119","","","","","","1.092","","","","has coordinates","138223","2020-10-21","18:00:00",""
"4123635","8.4071","0.0005","11.7277","0.0006","16.3593","0.001","90","","102.232","0.006","90","","1576.34","0.16","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cl N2 O2 -","- C19 H21 Cl N2 O2 -","- C76 H84 Cl4 N8 O8 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0388","0.0374","","","0.099","0.1002","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123636","22.98","0.003","6.6493","0.0012","16.198","0.0019","90","","125.389","0.01","90","","2017.8","0.6","293","2","293","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- C28 H36 -","- C28 H36 -","- C112 H144 -","4","0.5","","Zhuk, Tatyana S.; Koso, Tatyana; Pashenko, Alexander E.; Hoc, Ngo Trung; Rodionov, Vladimir N.; Serafin, Michael; Schreiner, Peter R.; Fokin, Andrey A.","Toward an Understanding of Diamond sp(2)-Defects with Unsaturated Diamondoid Oligomer Models.","Journal of the American Chemical Society","2015","137","20","6577","6586","10.1021/jacs.5b01555","","","0.71073","MoKα","","0.1195","0.0545","","","0.1349","0.1737","","","","","","0.823","","","","has coordinates","138229","2020-10-21","18:00:00",""
"4123637","12.2783","0.0018","6.565","0.0007","13.424","0.002","90","","112.714","0.017","90","","998.1","0.3","293","2","293","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C14 H18 -","- C14 H18 -","- C56 H72 -","4","1","","Zhuk, Tatyana S.; Koso, Tatyana; Pashenko, Alexander E.; Hoc, Ngo Trung; Rodionov, Vladimir N.; Serafin, Michael; Schreiner, Peter R.; Fokin, Andrey A.","Toward an Understanding of Diamond sp(2)-Defects with Unsaturated Diamondoid Oligomer Models.","Journal of the American Chemical Society","2015","137","20","6577","6586","10.1021/jacs.5b01555","","","0.71073","MoKα","","0.1088","0.055","","","0.1425","0.1676","","","","","","0.902","","","","has coordinates","138229","2020-10-21","18:00:00",""
"4123638","23.135","0.003","6.5721","0.0007","14.9065","0.0018","90","","128.095","0.011","90","","1783.7","0.5","293","2","293","2","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C28 H36 -","- C24 H32 -","- C96 H128 -","4","1","","Zhuk, Tatyana S.; Koso, Tatyana; Pashenko, Alexander E.; Hoc, Ngo Trung; Rodionov, Vladimir N.; Serafin, Michael; Schreiner, Peter R.; Fokin, Andrey A.","Toward an Understanding of Diamond sp(2)-Defects with Unsaturated Diamondoid Oligomer Models.","Journal of the American Chemical Society","2015","137","20","6577","6586","10.1021/jacs.5b01555","","","0.71073","MoKα","","0.0889","0.0528","","","0.1261","0.1452","","","","","","0.818","","","","has coordinates","138229","2020-10-21","18:00:00",""
"4123639","16.5265","0.0005","17.3446","0.0005","28.1866","0.0009","90","","90","","90","","8079.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H61 N4 O7.5 -","- C38 H61 N4 O7.5 -","- C304 H488 N32 O60 -","8","2","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","","1.54178","CuKα","","0.054","0.0405","","","0.0917","0.1","","","","","","1.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123640","12.0179","0.0019","17.559","0.004","26.124","0.004","90","","90","","90","","5512.7","1.7","100","","100.01","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52.22 H88.54 Cl0.89 N5 O8 -","- C52.2156 H88.539 Cl0.8922 N5 O8 -","- C208.862 H354.156 Cl3.5688 N20 O32 -","4","1","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","x-ray","1.54178","CuKα","K-L~3~","0.0317","0.0315","","","0.0807","0.0809","","","","","","1.097","","","","has coordinates,has disorder","138220","2020-10-21","18:00:00",""
"4123641","11.5447","0.0004","14.2478","0.0005","17.4006","0.0006","96.227","0.002","108.46","0.0018","105.904","0.0018","2550.47","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C52.11 H71.78 Cl2.44 N4 O7 -","- C52.1034 H71.7585 Cl2.4483 N4 O7 -","- C104.207 H143.517 Cl4.8966 N8 O14 -","2","1","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","x-ray","0.71073","MoKα","","0.0937","0.0546","","","0.126","0.1433","","","","","","1.02","","","","has coordinates,has disorder","138220","2020-10-21","18:00:00",""
"4123642","11.9161","0.0008","27.097","0.004","25.5162","0.0016","90","","97.111","0.004","90","","8175.6","1.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C77.57 H112.32 Cl4.82 N6 O9 -","- C77.6046 H112.412 Cl4.7988 N6 O9 -","- C310.418 H449.646 Cl19.1952 N24 O36 -","4","1","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","x-ray","1.54178","CuKα","","0.059","0.0573","","","0.1475","0.1488","","","","","","1.062","","","","has coordinates,has disorder","138220","2020-10-21","18:00:00",""
"4123643","13.4361","0.0018","18.178","0.003","22.458","0.003","90","","100.534","0.009","90","","5392.7","1.4","100","","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H87 N5 O9 -","- C50 H87 N5 O9 -","- C200 H348 N20 O36 -","4","2","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","x-ray","1.54178","CuKα","","0.0939","0.0894","","","0.2495","0.2606","","","","","","0.967","","","","has coordinates,has disorder","138220","2020-10-21","18:00:00",""
"4123644","22.772","0.003","14.5752","0.0011","25.663","0.003","90","","103.502","0.013","90","","8282.3","1.6","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C70 H97 Cl3 N6 O10 -","- C70.006 H97.007 Cl3 N6 O10 -","- C280.024 H388.028 Cl12 N24 O40 -","4","1","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","x-ray","1.54178","CuKα","","0.0732","0.0631","","","0.168","0.1764","","","","","","1.034","","","","has coordinates,has disorder","138220","2020-10-21","18:00:00",""
"4123645","25.5011","0.0004","25.5011","0.0004","11.0911","0.0002","90","","90","","120","","6246.3","0.18","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C38 H59 Br N4 O7 -","- C38 H59 Br N4 O7 -","- C228 H354 Br6 N24 O42 -","6","1","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","","1.54178","Cu-Kα","","0.0425","0.041","","","0.1074","0.1083","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123646","12.2709","0.0007","14.4105","0.0007","20.9053","0.0009","90","","101.099","0.001","90","","3627.5","0.3","198","2","198","2","","","","","","","","6","P 1 n 1","P -2yac","7","jg04apr13","","","- C48 H118 Li6 N12 O10 P4 -","- C48 H118 Li6 N12 O10 P4 -","- C96 H236 Li12 N24 O20 P8 -","2","1","","Guang, Jie; Liu, Qiyong Peter; Hopson, Russell; Williard, Paul G.","Lithium Pinacolone Enolate Solvated by Hexamethylphosphoramide.","Journal of the American Chemical Society","2015","137","23","7347","7356","10.1021/jacs.5b01906","","","0.71073","","","0.0699","0.054","","","0.1521","0.1661","","","","","","1.015","","","","has coordinates","140130","2020-10-21","18:00:00",""
"4123647","12.28","0.002","12.436","0.002","22.118","0.004","94.906","0.006","104.544","0.006","101.318","0.007","3173.4","0.9","213","2","213","2","","","","","","","","6","P -1","-P 1","2","jg11mar13","","","- C44 H100 Li4 N12 O8 P4 -","- C44 H100 Li4 N12 O8 P4 -","- C88 H200 Li8 N24 O16 P8 -","2","1","","Guang, Jie; Liu, Qiyong Peter; Hopson, Russell; Williard, Paul G.","Lithium Pinacolone Enolate Solvated by Hexamethylphosphoramide.","Journal of the American Chemical Society","2015","137","23","7347","7356","10.1021/jacs.5b01906","","","0.71073","","","0.1109","0.0781","","","0.2108","0.2373","","","","","","1.011","","","","has coordinates","140130","2020-10-21","18:00:00",""
"4123648","12.2344","0.0014","15.055","0.0019","32.394","0.003","90","","90","","90","","5966.6","1.2","198","2","198","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H98 Li4 N9 O7 P3 -","- C42 H98 Li4 N9 O7 P3 -","- C168 H392 Li16 N36 O28 P12 -","4","1","","Guang, Jie; Liu, Qiyong Peter; Hopson, Russell; Williard, Paul G.","Lithium Pinacolone Enolate Solvated by Hexamethylphosphoramide.","Journal of the American Chemical Society","2015","137","23","7347","7356","10.1021/jacs.5b01906","","","0.71073","","","0.1025","0.0952","","","0.2489","0.2591","","","","","","2.208","","","","has coordinates","140130","2020-10-21","18:00:00",""
"4123649","14.5732","0.0005","16.2543","0.0006","16.4636","0.0006","72.9946","0.0016","69.1536","0.0017","78.171","0.0016","3462.9","0.2","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H52 B F24 N4 P2 Rh -","- C73 H51.198 B F23.894 N4 P2 Rh -","- C146 H102.396 B2 F47.788 N8 P4 Rh2 -","2","1","","Roberts, Courtney C.; Matías, Desirée M; Goldfogel, Matthew J.; Meek, Simon J.","Lewis Acid activation of carbodicarbene catalysts for rh-catalyzed hydroarylation of dienes.","Journal of the American Chemical Society","2015","137","20","6488","6491","10.1021/jacs.5b03510","","","1.54178","CuKα","","0.0352","0.0336","","","0.1117","0.1139","","","","","","1.019","","","","has coordinates,has disorder","138224","2020-10-21","18:00:00",""
"4123650","27.551","0.004","27.551","0.004","7.1879","0.0011","90","","90","","120","","4725.1","1.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","Fe2(DSBDC)","","","- C7 H8 Fe N O3.25 S -","- C7 H8 Fe N O3.25167 S -","- C126 H144 Fe18 N18 O58.53 S18 -","18","1","","Sun, Lei; Hendon, Christopher H.; Minier, Mikael A.; Walsh, Aron; Dincă, Mircea","Million-Fold Electrical Conductivity Enhancement in Fe2(DEBDC) versus Mn2(DEBDC) (E = S, O).","Journal of the American Chemical Society","2015","137","19","6164","6167","10.1021/jacs.5b02897","","","0.71073","MoKα","","0.1402","0.0686","","","0.1881","0.2233","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123651","23.081","0.002","5.6219","0.0006","27.444","0.004","90","","113.475","0.002","90","","3266.4","0.7","100","2","100.01","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 F N -","- C22 H18 F N -","- C176 H144 F8 N8 -","8","1","","Manan, Rajith S.; Kilaru, Praveen; Zhao, Pinjing","Nickel-catalyzed hydroimination of alkynes.","Journal of the American Chemical Society","2015","137","19","6136","6139","10.1021/jacs.5b02272","","","0.71073","MoKα","","0.0892","0.0559","","","0.1171","0.1323","","","","","","1.023","","","","has coordinates","138243","2020-10-21","18:00:00",""
"4123652","12.539","0.003","18.204","0.004","19.354","0.004","90","","92.174","0.005","90","","4414.6","1.7","100","","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H58 N4 Ni -","- C53 H58 N4 Ni -","- C212 H232 N16 Ni4 -","4","1","","Manan, Rajith S.; Kilaru, Praveen; Zhao, Pinjing","Nickel-catalyzed hydroimination of alkynes.","Journal of the American Chemical Society","2015","137","19","6136","6139","10.1021/jacs.5b02272","","","0.71073","MoKα","","0.0666","0.0426","","","0.0969","0.1068","","","","","","1.023","","","","has coordinates","138243","2020-10-21","18:00:00",""
"4123653","9.91","0.008","10.638","0.009","11.59","0.009","66.662","0.014","68.065","0.013","63.042","0.012","971.5","1.4","273","2","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H21 N -","- C27 H21 N -","- C54 H42 N2 -","2","1","","Manan, Rajith S.; Kilaru, Praveen; Zhao, Pinjing","Nickel-catalyzed hydroimination of alkynes.","Journal of the American Chemical Society","2015","137","19","6136","6139","10.1021/jacs.5b02272","","","0.71073","MoKα","","0.0601","0.0442","","","0.1036","0.1123","","","","","","1.026","","","","has coordinates,has disorder","138243","2020-10-21","18:00:00",""
"4123654","34.7235","0.0017","10.4104","0.0005","9.2568","0.0004","90","","96.3367","0.0014","90","","3325.8","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H55 N O3 S -","- C36 H55 N O3 S -","- C144 H220 N4 O12 S4 -","4","1","","Rao, Weidong; Susanti, Dewi; Ayers, Benjamin James; Chan, Philip Wai Hong","Ligand-controlled product selectivity in gold-catalyzed double cycloisomerization of 1,11-dien-3,9-diyne benzoates.","Journal of the American Chemical Society","2015","137","19","6350","6355","10.1021/jacs.5b02377","","","0.71073","MoKα","","0.0677","0.0514","","","0.1296","0.1389","","","","","","1.013","","","","has coordinates","138244","2020-10-21","18:00:00",""
"4123655","9.8243","0.0005","11.9643","0.0007","20.2965","0.001","104.725","0.003","97.998","0.003","97.617","0.003","2249.5","0.2","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H45 F3 Fe O2 P2 Pd Si -","- C50 H45 F3 Fe O2 P2 Pd Si -","- C100 H90 F6 Fe2 O4 P4 Pd2 Si2 -","2","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Ober, Michael H.; Wang, Hao; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of arylsilanolates.","Journal of the American Chemical Society","2015","137","19","6200","6218","10.1021/jacs.5b02518","","","0.71073","MoKα","","0.0857","0.0481","","","0.0968","0.1118","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123656","10.7826","0.0007","17.1122","0.0011","12.4527","0.0008","90","","115.206","0.004","90","","2078.9","0.2","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H44 O2 P2 Pd Si -","- C46 H44 O2 P2 Pd Si -","- C92 H88 O4 P4 Pd2 Si2 -","2","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Ober, Michael H.; Wang, Hao; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of arylsilanolates.","Journal of the American Chemical Society","2015","137","19","6200","6218","10.1021/jacs.5b02518","","","0.71073","MoKα","","0.033","0.0287","","","0.0646","0.0667","","","","","","1.025","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123657","38.9379","0.0014","10.9293","0.0005","18.3057","0.0008","90","","99.21","0.003","90","","7689.8","0.6","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 O2 P2 Pd Si -","- C42 H44 O2 P2 Pd Si -","- C336 H352 O16 P16 Pd8 Si8 -","8","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Ober, Michael H.; Wang, Hao; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of arylsilanolates.","Journal of the American Chemical Society","2015","137","19","6200","6218","10.1021/jacs.5b02518","","","0.71073","MoKα","","0.0713","0.0372","","","0.0746","0.0868","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123658","10.3193","0.0006","10.8718","0.0006","20.9256","0.0011","93.377","0.001","96.21","0.001","95.557","0.001","2317.2","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H55 O2 P2 Pd Si -","- C52 H55 O2 P2 Pd Si -","- C104 H110 O4 P4 Pd2 Si2 -","2","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Ober, Michael H.; Wang, Hao; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of arylsilanolates.","Journal of the American Chemical Society","2015","137","19","6200","6218","10.1021/jacs.5b02518","","","0.71073","MoKα","","0.0479","0.033","","","0.0731","0.0777","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123659","25.0154","0.0013","11.3144","0.0006","22.0186","0.0011","90","","109.649","0.002","90","","5869.1","0.5","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H44 F O2 P Pd Si -","- C27 H44 F O2 P Pd Si -","- C216 H352 F8 O16 P8 Pd8 Si8 -","8","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Ober, Michael H.; Wang, Hao; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of arylsilanolates.","Journal of the American Chemical Society","2015","137","19","6200","6218","10.1021/jacs.5b02518","","","0.71073","MoKα","","0.0429","0.0281","","","0.0611","0.0668","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123660","12.5239","0.0003","12.6398","0.0004","15.2157","0.0004","90.909","0.002","105.17","0.001","103.595","0.002","2251.87","0.11","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H50 O2 P2 Pd Si -","- C52 H50 O2 P2 Pd Si -","- C104 H100 O4 P4 Pd2 Si2 -","2","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Ober, Michael H.; Wang, Hao; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of arylsilanolates.","Journal of the American Chemical Society","2015","137","19","6200","6218","10.1021/jacs.5b02518","","","0.71073","MoKα","","0.0522","0.0353","","","0.0778","0.0847","","","","","","1.016","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123661","16.4333","0.0012","13.7339","0.0011","14.8331","0.0012","90","","116.82","0.003","90","","2987.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 Cl2 N2 O W -","- C31 H36 Cl2 N2 O W -","- C124 H144 Cl8 N8 O4 W4 -","4","1","","Schowner, Roman; Frey, Wolfgang; Buchmeiser, Michael R.","Cationic tungsten-oxo-alkylidene-N-heterocyclic carbene complexes: highly active olefin metathesis catalysts.","Journal of the American Chemical Society","2015","137","19","6188","6191","10.1021/jacs.5b03788","","","0.71073","MoKα","","0.0343","0.0265","","","0.0591","0.0616","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123662","11.7504","0.0012","21.999","0.002","16.676","0.002","90","","103.918","0.003","90","","4184.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H49 Cl N2 O2 W -","- C49 H49 Cl N2 O2 W -","- C196 H196 Cl4 N8 O8 W4 -","4","1","","Schowner, Roman; Frey, Wolfgang; Buchmeiser, Michael R.","Cationic tungsten-oxo-alkylidene-N-heterocyclic carbene complexes: highly active olefin metathesis catalysts.","Journal of the American Chemical Society","2015","137","19","6188","6191","10.1021/jacs.5b03788","","","0.71073","MoKα","","0.1311","0.0543","","","0.0706","0.08","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123663","11.2691","0.0006","13.0224","0.0007","16.5658","0.0009","103.326","0.003","96.653","0.003","102.402","0.003","2275.1","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H55 Cl2 N2 O2 P W -","- C43 H55 Cl2 N2 O2 P W -","- C86 H110 Cl4 N4 O4 P2 W2 -","2","1","","Schowner, Roman; Frey, Wolfgang; Buchmeiser, Michael R.","Cationic tungsten-oxo-alkylidene-N-heterocyclic carbene complexes: highly active olefin metathesis catalysts.","Journal of the American Chemical Society","2015","137","19","6188","6191","10.1021/jacs.5b03788","","","0.71073","MoKα","","0.0478","0.0351","","","0.0975","0.1064","","","","","","1.046","","","","has coordinates,has disorder","138246","2020-10-21","18:00:00",""
"4123664","18.3311","0.0008","15.7359","0.0007","23.3815","0.001","90","","90","","90","","6744.5","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H39 Cl F6 N2 O2 W -","- C35 H39 Cl F6 N2 O2 W -","- C280 H312 Cl8 F48 N16 O16 W8 -","8","1","","Schowner, Roman; Frey, Wolfgang; Buchmeiser, Michael R.","Cationic tungsten-oxo-alkylidene-N-heterocyclic carbene complexes: highly active olefin metathesis catalysts.","Journal of the American Chemical Society","2015","137","19","6188","6191","10.1021/jacs.5b03788","","","0.71073","MoKα","","0.0941","0.0403","","","0.0639","0.071","","","","","","1.033","","","","has coordinates","138246","2020-10-21","18:00:00",""
"4123665","6.94","0.0004","12.1429","0.0007","11.5499","0.0006","90","","93.316","0.002","90","","971.7","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","AM-I-116B","sarpong79","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","2","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0256","0.0254","","","0.067","0.0672","","","","","","1.027","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123666","7.3713","0.0003","10.8358","0.0005","11.8516","0.0005","90","","91.104","0.002","90","","946.46","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","AM-I-165","sarpong88","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","2","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0385","0.0359","","","0.0917","0.0935","","","","","","1.039","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123667","7.8391","0.0003","7.8391","0.0003","30.7247","0.0012","90","","90","","90","","1888.08","0.13","100","2","100","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","AM02","sarpong71","","- C10 H16 O2 -","- C10 H16 O2 -","- C80 H128 O16 -","8","1","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0337","0.0331","","","0.0901","0.0906","","","","","","1.071","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123668","7.7371","0.0004","7.7371","0.0004","30.9059","0.0014","90","","90","","90","","1850.11","0.16","100","2","100","2","","","","","","","","3","P 43","P 4cw","78","AM-I-17","sarpong56","","- C10 H16 O2 -","- C10 H16 O2 -","- C80 H128 O16 -","8","2","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.1146","0.0832","","","0.171","0.1907","","","","","","1.097","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123669","8.294","0.0004","9.0364","0.0004","12.17","0.0006","90","","90","","90","","912.12","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","AM-I-116A","sarpong78","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","1","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0278","0.0277","","","0.0723","0.0724","","","","","","1.091","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123670","20.722","0.004","20.722","0.004","20.722","0.004","90","","90","","90","","8898","3","296","2","296","2","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Ge24 S48 -","- Ge24 S48 -","- Ge48 S96 -","2","0.0416667","","Lin, Qipu; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Sasan, Koroush; Feng, Pingyun","Mimicking high-silica zeolites: highly stable germanium- and tin-rich zeolite-type chalcogenides.","Journal of the American Chemical Society","2015","137","19","6184","6187","10.1021/jacs.5b03550","","","0.71073","MoKα","","0.1089","0.0814","","","0.2155","0.2512","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123671","11.2152","0.0002","11.2152","0.0002","19.1197","0.0007","90","","90","","90","","2404.89","0.11","296","2","296","2","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- Ge8 S16 -","- Ge8 S16 -","- Ge16 S32 -","2","0.125","","Lin, Qipu; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Sasan, Koroush; Feng, Pingyun","Mimicking high-silica zeolites: highly stable germanium- and tin-rich zeolite-type chalcogenides.","Journal of the American Chemical Society","2015","137","19","6184","6187","10.1021/jacs.5b03550","","","0.71073","MoKα","","0.0997","0.0485","","","0.126","0.1477","","","","","","0.993","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123672","23.361","0.009","23.361","0.009","39.239","0.015","90","","90","","90","","21414","14","296","2","296","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Ge128 S257.61 Zn3.2 -","- Ge128 S256 -","- Ge128 S256 -","1","0.03125","","Lin, Qipu; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Sasan, Koroush; Feng, Pingyun","Mimicking high-silica zeolites: highly stable germanium- and tin-rich zeolite-type chalcogenides.","Journal of the American Chemical Society","2015","137","19","6184","6187","10.1021/jacs.5b03550","","","0.71073","MoKα","","0.2863","0.0908","","","0.2298","0.2594","","","","","","0.97","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123673","21.524","0.0002","21.524","0.0002","11.116","0.0002","90","","90","","90","","5149.85","0.11","296","2","296","2","","","","","","","","2","I -4","I -4","82","","","","- Ge4 S8 -","- Ge4 S8 -","- Ge32 S64 -","8","1","","Lin, Qipu; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Sasan, Koroush; Feng, Pingyun","Mimicking high-silica zeolites: highly stable germanium- and tin-rich zeolite-type chalcogenides.","Journal of the American Chemical Society","2015","137","19","6184","6187","10.1021/jacs.5b03550","","","0.71073","MoKα","","0.0976","0.0568","","","0.1557","0.1675","","","","","","0.978","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123674","22.4297","0.0008","22.4297","0.0008","22.4297","0.0008","90","","90","","90","","11284.2","0.7","296","2","296","2","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Se48 Sn24 -","- Se48 Sn24 -","- Se96 Sn48 -","2","0.0416667","","Lin, Qipu; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Sasan, Koroush; Feng, Pingyun","Mimicking high-silica zeolites: highly stable germanium- and tin-rich zeolite-type chalcogenides.","Journal of the American Chemical Society","2015","137","19","6184","6187","10.1021/jacs.5b03550","","","0.71073","MoKα","","0.114","0.061","","","0.167","0.1968","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123675","22.614","0.0006","22.614","0.0006","22.614","0.0006","90","","90","","90","","11564.6","0.5","296","2","296","2","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Se48 Sn24 -","- Se48 Sn24 -","- Se96 Sn48 -","2","0.0416667","","Lin, Qipu; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Sasan, Koroush; Feng, Pingyun","Mimicking high-silica zeolites: highly stable germanium- and tin-rich zeolite-type chalcogenides.","Journal of the American Chemical Society","2015","137","19","6184","6187","10.1021/jacs.5b03550","","","0.71073","MoKα","","0.1673","0.0835","","","0.2063","0.2783","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123676","7.3179","0.0006","23.2967","0.0017","14.4155","0.0013","90","","90","","90","","2457.6","0.3","173","2","173","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C36 H24 -","- C36 H24 -","- C144 H96 -","4","1","","Mohamed, Rana K.; Mondal, Sayantan; Gold, Brian; Evoniuk, Christopher J.; Banerjee, Tanmay; Hanson, Kenneth; Alabugin, Igor V.","Alkenes as alkyne equivalents in radical cascades terminated by fragmentations: overcoming stereoelectronic restrictions on ring expansions for the preparation of expanded polyaromatics.","Journal of the American Chemical Society","2015","137","19","6335","6349","10.1021/jacs.5b02373","","","0.71073","MoKα","","0.0721","0.0532","","","0.1372","0.1503","","","","","","1.013","","","","has coordinates","138249","2020-10-21","18:00:00",""
"4123677","7.388","0.0015","10.3745","0.0019","10.8099","0.0019","107.355","0.008","107.255","0.008","106.126","0.008","691.6","0.2","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 P Se2 -","- C14 H15 P Se2 -","- C28 H30 P2 Se4 -","2","1","","Sanz Camacho, Paula; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Green, Timothy F. G.; Yates, Jonathan R.; Dawson, Daniel M.; Woollins, J. Derek; Ashbrook, Sharon E.","Unusual intermolecular ""through-space"" j couplings in p-se heterocycles.","Journal of the American Chemical Society","2015","137","19","6172","6175","10.1021/jacs.5b03353","","","0.71075","MoKα","","0.0481","0.0326","","","0.0652","0.0707","","","","","","0.983","","","","has coordinates","138250","2020-10-21","18:00:00",""
"4123678","7.6709","0.0017","9.404","0.002","10.484","0.002","106.421","0.008","104.69","0.007","106.308","0.008","649.1","0.2","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 P Se2 -","- C13 H13 P Se2 -","- C26 H26 P2 Se4 -","2","1","","Sanz Camacho, Paula; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Green, Timothy F. G.; Yates, Jonathan R.; Dawson, Daniel M.; Woollins, J. Derek; Ashbrook, Sharon E.","Unusual intermolecular ""through-space"" j couplings in p-se heterocycles.","Journal of the American Chemical Society","2015","137","19","6172","6175","10.1021/jacs.5b03353","","","0.71075","MoKα","","0.043","0.0294","","","0.0444","0.0467","","","","","","0.949","","","","has coordinates","138250","2020-10-21","18:00:00",""
"4123679","24.988","0.003","12.6951","0.0017","12.3953","0.0019","90","","108.173","0.012","90","","3736","0.9","298","1","298","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H8 Al F6 O5 -","- C17 H8 Al F6 O5 -","- C136 H64 Al8 F48 O40 -","8","1","","Aguirre-Díaz, Lina María; Gándara, Felipe; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles","Tunable catalytic activity of solid solution metal-organic frameworks in one-pot multicomponent reactions.","Journal of the American Chemical Society","2015","137","19","6132","6135","10.1021/jacs.5b02313","","","1.54178","CuKα","","0.23","0.0975","","","0.2376","0.3062","","","","","","0.862","","","","has coordinates","138251","2020-10-21","18:00:00",""
"4123680","25.375","0.0013","13.1271","0.0006","13.1893","0.0006","90","","107.305","0.003","90","","4194.5","0.4","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H10 F6 In O5 -","- C18 H10 F6 In O5 -","- C144 H80 F48 In8 O40 -","8","1","","Aguirre-Díaz, Lina María; Gándara, Felipe; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles","Tunable catalytic activity of solid solution metal-organic frameworks in one-pot multicomponent reactions.","Journal of the American Chemical Society","2015","137","19","6132","6135","10.1021/jacs.5b02313","","","1.54178","CuKα","","0.1263","0.0761","","","0.1879","0.2552","","","","","","1.025","","","","has coordinates","138251","2020-10-21","18:00:00",""
"4123681","12.151","0.0006","21.9509","0.0011","17.7959","0.0009","90","","95.241","0.003","90","","4726.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound6","","","- C51 H71 Fe N4 Si -","- C51 H71 Fe N4 Si -","- C204 H284 Fe4 N16 Si4 -","4","1","","Lipschutz, Michael I.; Chantarojsiri, Teera; Dong, Yuyang; Tilley, T. Don","Synthesis, characterization, and alkyne trimerization catalysis of a heteroleptic two-coordinate fe(i) complex.","Journal of the American Chemical Society","2015","137","19","6366","6372","10.1021/jacs.5b02504","","","1.54178","CuKα","","0.0349","0.0311","","","0.0822","0.0854","","","","","","0.89","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123682","11.0373","0.0005","23.9854","0.0009","18.3141","0.0008","90","","102.689","0.002","90","","4730","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound5","","","- C42 H62 Fe K N3 Si -","- C42 H62 Fe K N3 Si -","- C168 H248 Fe4 K4 N12 Si4 -","4","1","","Lipschutz, Michael I.; Chantarojsiri, Teera; Dong, Yuyang; Tilley, T. Don","Synthesis, characterization, and alkyne trimerization catalysis of a heteroleptic two-coordinate fe(i) complex.","Journal of the American Chemical Society","2015","137","19","6366","6372","10.1021/jacs.5b02504","","","0.71073","MoKα","","0.064","0.0527","","","0.1402","0.1461","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123683","13.2902","0.001","16.1855","0.0012","22.2958","0.0016","105.593","0.004","105.549","0.004","90.749","0.004","4431.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","IPr-ClFe-N(SiMe3)DIPP","","","- C42 H62 Cl Fe N3 Si -","- C42 H62 Cl Fe N3 Si -","- C168 H248 Cl4 Fe4 N12 Si4 -","4","2","","Lipschutz, Michael I.; Chantarojsiri, Teera; Dong, Yuyang; Tilley, T. Don","Synthesis, characterization, and alkyne trimerization catalysis of a heteroleptic two-coordinate fe(i) complex.","Journal of the American Chemical Society","2015","137","19","6366","6372","10.1021/jacs.5b02504","","","0.71073","MoKα","","0.1018","0.08","","","0.2095","0.2235","","","","","","1.082","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123684","13.5867","0.001","18.2296","0.0014","17.4115","0.0012","90","","93.663","0.004","90","","4303.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound1","","","- C42 H62 Fe N3 Si -","- C42 H62 Fe N3 Si -","- C168 H248 Fe4 N12 Si4 -","4","1","","Lipschutz, Michael I.; Chantarojsiri, Teera; Dong, Yuyang; Tilley, T. Don","Synthesis, characterization, and alkyne trimerization catalysis of a heteroleptic two-coordinate fe(i) complex.","Journal of the American Chemical Society","2015","137","19","6366","6372","10.1021/jacs.5b02504","","","0.71073","MoKα","","0.0371","0.0311","","","0.0752","0.0783","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123685","5.9129","0.0001","7.8545","0.0002","31.0943","0.0008","90","","91.527","0.001","90","","1443.6","0.06","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 S4 -","- C18 H8 S4 -","- C72 H32 S16 -","4","1","","Park, Jeong-Il; Chung, Jong Won; Kim, Joo-Young; Lee, Jiyoul; Jung, Ji Young; Koo, Bonwon; Lee, Bang-Lin; Lee, Soon W.; Jin, Yong Wan; Lee, Sang Yoon","Dibenzothiopheno[6,5-b:6',5'-f]thieno[3,2-b]thiophene (DBTTT): High-Performance Small-Molecule Organic Semiconductor for Field-Effect Transistors.","Journal of the American Chemical Society","2015","137","38","12175","12178","10.1021/jacs.5b01108","","","0.71073","MoKα","","0.0941","0.0738","","","0.1626","0.172","","","","","","1.152","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123686","16.0574","0.0005","19.2846","0.0005","25.5466","0.0007","90","","90","","90","","7910.8","0.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H46 O P2 Pd Si -","- C44 H46 O P2 Pd Si -","- C352 H368 O8 P16 Pd8 Si8 -","8","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of alkenylsilanolates.","Journal of the American Chemical Society","2015","137","19","6192","6199","10.1021/jacs.5b02515","","","0.71073","MoKα","","0.1202","0.0428","","","0.0683","0.0903","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123687","19.9632","0.0011","11.8061","0.0006","21.5367","0.0012","90","","111.315","0.003","90","","4728.7","0.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H53 O P2 Pd Si -","- C56 H53 O P2 Pd Si -","- C224 H212 O4 P8 Pd4 Si4 -","4","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of alkenylsilanolates.","Journal of the American Chemical Society","2015","137","19","6192","6199","10.1021/jacs.5b02515","","","0.71073","MoKα","","0.0557","0.037","","","0.0861","0.0954","","","","","","1.009","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123688","9.5684","0.0003","14.1184","0.0005","33.0217","0.001","102.271","0.002","92.338","0.002","90.158","0.002","4355.1","0.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N2 O3 -","- C25 H26 N2 O3 -","- C200 H208 N16 O24 -","8","4","","Gu, Yiting; Hu, Pengfei; Ni, Chunjie; Tong, Xiaofeng","Phosphine-Catalyzed Addition/Cycloaddition Domino Reactions of β'-Acetoxy Allenoate: Highly Stereoselective Access to 2-Oxabicyclo[3.3.1]nonane and Cyclopenta[a]pyrrolizine.","Journal of the American Chemical Society","2015","137","19","6400","6406","10.1021/jacs.5b03273","","","1.54178","CuKα","","0.1031","0.0828","","","0.2363","0.2713","","","","","","1.039","","","","has coordinates","138255","2020-10-21","18:00:00",""
"4123689","10.4205","0.0015","15.529","0.002","16.859","0.002","100.331","0.004","107.656","0.003","91.586","0.004","2547.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 Br2 N O3 -","- C29 H21 Br2 N O3 -","- C116 H84 Br8 N4 O12 -","4","2","","Gu, Yiting; Hu, Pengfei; Ni, Chunjie; Tong, Xiaofeng","Phosphine-Catalyzed Addition/Cycloaddition Domino Reactions of β'-Acetoxy Allenoate: Highly Stereoselective Access to 2-Oxabicyclo[3.3.1]nonane and Cyclopenta[a]pyrrolizine.","Journal of the American Chemical Society","2015","137","19","6400","6406","10.1021/jacs.5b03273","","","0.71073","MoKα","","0.1718","0.0585","","","0.1197","0.1672","","","","","","1.136","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123690","5.6858","0.0012","7.8358","0.0017","14.314","0.003","91.607","0.005","95.157","0.004","90.745","0.005","634.8","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C34 H28 O4 -","2","1","","Wang, Xueqiang; Liu, Yu; Martin, Ruben","Ni-Catalyzed Divergent Cyclization/Carboxylation of Unactivated Primary and Secondary Alkyl Halides with CO2.","Journal of the American Chemical Society","2015","137","20","6476","6479","10.1021/jacs.5b03340","","","0.71073","MoKα","","0.0716","0.0505","","","0.1326","0.1468","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123691","14.6838","0.0019","5.5897","0.0007","16.502","0.002","90","","106.256","0.003","90","","1300.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Wang, Xueqiang; Liu, Yu; Martin, Ruben","Ni-Catalyzed Divergent Cyclization/Carboxylation of Unactivated Primary and Secondary Alkyl Halides with CO2.","Journal of the American Chemical Society","2015","137","20","6476","6479","10.1021/jacs.5b03340","","","0.71073","MoKα","","0.0551","0.0468","","","0.1341","0.1421","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123692","18.1426","0.0014","11.3329","0.0009","21.2381","0.0015","90","","96.273","0.003","90","","4340.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 N4 Ni O2 -","- C56 H48 N4 Ni O2 -","- C224 H192 N16 Ni4 O8 -","4","1","","Wang, Xueqiang; Liu, Yu; Martin, Ruben","Ni-Catalyzed Divergent Cyclization/Carboxylation of Unactivated Primary and Secondary Alkyl Halides with CO2.","Journal of the American Chemical Society","2015","137","20","6476","6479","10.1021/jacs.5b03340","","","0.71073","MoKα","","0.0746","0.0455","","","0.1022","0.115","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123693","10.2826","0.0009","8.166","0.0007","16.8783","0.0015","90","","105.643","0.002","90","","1364.7","0.2","130","","130","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H35 B F4 O5 P Rh -","- C26 H35 B F4 O5 P Rh -","- C52 H70 B2 F8 O10 P2 Rh2 -","2","1","","Hu, Naifu; Zhao, Guoqing; Zhang, Yuanyuan; Liu, Xiangqian; Li, Guangyu; Tang, Wenjun","Synthesis of Chiral α-Amino Tertiary Boronic Esters by Enantioselective Hydroboration of α-Arylenamides.","Journal of the American Chemical Society","2015","137","21","6746","6749","10.1021/jacs.5b03760","","","0.71073","MoKα","","0.0631","0.0442","","","0.0765","0.0874","","","","","","0.994","","","","has coordinates","138230","2020-10-21","18:00:00",""
"4123694","9.5606","0.0014","9.5606","0.0014","37.597","0.008","90","","90","","90","","3436.6","1","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C16 H25 B N O3.5 -","- C16 H25 B N O3.5 -","- C128 H200 B8 N8 O28 -","8","1","","Hu, Naifu; Zhao, Guoqing; Zhang, Yuanyuan; Liu, Xiangqian; Li, Guangyu; Tang, Wenjun","Synthesis of Chiral α-Amino Tertiary Boronic Esters by Enantioselective Hydroboration of α-Arylenamides.","Journal of the American Chemical Society","2015","137","21","6746","6749","10.1021/jacs.5b03760","","","1.54178","CuKα","","0.0465","0.0457","","","0.1361","0.1375","","","","","","1.084","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123695","16.4929","0.0014","19.9021","0.0016","22.3353","0.0018","100.322","0.002","98.56","0.002","106.549","0.002","6756.9","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 F6 N4 O12 P Rh -","- C40 H44 F6 N4 O12 P Rh -","- C240 H264 F36 N24 O72 P6 Rh6 -","6","3","","Chan, Alan Kwun-Wa; Wong, Keith Man-Chung; Yam, Vivian Wing-Wah","Supramolecular assembly of isocyanorhodium(i) complexes: an interplay of rhodium(i)···rhodium(i) interactions, hydrophobic-hydrophobic interactions, and host-guest chemistry.","Journal of the American Chemical Society","2015","137","21","6920","6931","10.1021/jacs.5b03396","","","0.71073","MoKα","","0.171","0.0664","","","0.1381","0.1925","","","","","","0.993","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123696","8.2102","0.0002","14.7226","0.0004","20.9185","0.0005","82.407","0.001","85.752","0.001","84.643","0.001","2490.53","0.11","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 F8 Si2 -","- C54 H66 F8 Si2 -","- C108 H132 F16 Si4 -","2","1","","Pensack, Ryan D.; Tilley, Andrew J.; Parkin, Sean R.; Lee, Tia S.; Payne, Marcia M.; Gao, Dong; Jahnke, Ashlee A.; Oblinsky, Daniel G.; Li, Peng-Fei; Anthony, John E.; Seferos, Dwight S.; Scholes, Gregory D.","Exciton delocalization drives rapid singlet fission in nanoparticles of acene derivatives.","Journal of the American Chemical Society","2015","137","21","6790","6803","10.1021/ja512668r","","","1.54178","CuKα","","0.051","0.0434","","","0.1117","0.1161","","","","","","1.12","","","","has coordinates","138233","2020-10-21","18:00:00",""
"4123697","5.8978","0.0002","14.1866","0.0004","26.4214","0.0008","78.673","0.002","84.728","0.002","84.507","0.002","2151.6","0.12","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H66 Si2 -","- C50 H66 Si2 -","- C100 H132 Si4 -","2","1","","Pensack, Ryan D.; Tilley, Andrew J.; Parkin, Sean R.; Lee, Tia S.; Payne, Marcia M.; Gao, Dong; Jahnke, Ashlee A.; Oblinsky, Daniel G.; Li, Peng-Fei; Anthony, John E.; Seferos, Dwight S.; Scholes, Gregory D.","Exciton delocalization drives rapid singlet fission in nanoparticles of acene derivatives.","Journal of the American Chemical Society","2015","137","21","6790","6803","10.1021/ja512668r","","","0.71073","MoKα","","0.1459","0.0994","","","0.2692","0.2894","","","","","","1.131","","","","has coordinates,has disorder","138233","2020-10-21","18:00:00",""
"4123698","11.7476","0.0002","12.571","0.0002","15.1412","0.0003","90","","105.977","0.001","90","","2149.67","0.07","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H66 Si2 -","- C50 H66 Si2 -","- C100 H132 Si4 -","2","0.5","","Pensack, Ryan D.; Tilley, Andrew J.; Parkin, Sean R.; Lee, Tia S.; Payne, Marcia M.; Gao, Dong; Jahnke, Ashlee A.; Oblinsky, Daniel G.; Li, Peng-Fei; Anthony, John E.; Seferos, Dwight S.; Scholes, Gregory D.","Exciton delocalization drives rapid singlet fission in nanoparticles of acene derivatives.","Journal of the American Chemical Society","2015","137","21","6790","6803","10.1021/ja512668r","","","1.54178","CuKα","","0.117","0.0809","","","0.1916","0.234","","","","","","1.04","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123699","22.068","0.002","8.1388","0.0007","15.9847","0.0015","90","","100.791","0.0017","90","","2820.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H46 Cu N6 O7 -","- C23 H46 Cu N6 O7 -","- C92 H184 Cu4 N24 O28 -","4","1","","Garrido-Barros, Pablo; Funes-Ardoiz, Ignacio; Drouet, Samuel; Benet-Buchholz, Jordi; Maseras, Feliu; Llobet, Antoni","Redox Non-innocent Ligand Controls Water Oxidation Overpotential in a New Family of Mononuclear Cu-Based Efficient Catalysts.","Journal of the American Chemical Society","2015","137","21","6758","6761","10.1021/jacs.5b03977","","","0.71073","MoKα","","0.065","0.0556","","","0.1367","0.1414","","","","","","1.134","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123700","11.9851","0.0019","16.023","0.003","26.249","0.004","90","","90","","90","","5040.8","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H40 Cu N6 O7 -","- C21 H40 Cu N6 O7 -","- C168 H320 Cu8 N48 O56 -","8","1","","Garrido-Barros, Pablo; Funes-Ardoiz, Ignacio; Drouet, Samuel; Benet-Buchholz, Jordi; Maseras, Feliu; Llobet, Antoni","Redox Non-innocent Ligand Controls Water Oxidation Overpotential in a New Family of Mononuclear Cu-Based Efficient Catalysts.","Journal of the American Chemical Society","2015","137","21","6758","6761","10.1021/jacs.5b03977","","","0.7107","MoKα","","0.0932","0.0701","","","0.1342","0.1421","","","","","","1.321","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123701","13.082","0.003","6.8151","0.0016","19.224","0.004","90","","93.616","0.007","90","","1710.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C22 H38 Cu N6 O6 -","- C22 H38 Cu N6 O6 -","- C44 H76 Cu2 N12 O12 -","2","0.5","","Garrido-Barros, Pablo; Funes-Ardoiz, Ignacio; Drouet, Samuel; Benet-Buchholz, Jordi; Maseras, Feliu; Llobet, Antoni","Redox Non-innocent Ligand Controls Water Oxidation Overpotential in a New Family of Mononuclear Cu-Based Efficient Catalysts.","Journal of the American Chemical Society","2015","137","21","6758","6761","10.1021/jacs.5b03977","","","0.71073","MoKα","","0.0987","0.0635","","","0.1532","0.166","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123702","12.335","0.003","8.8033","0.0018","23.422","0.005","90","","93.884","0.006","90","","2537.5","1","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 B -","- C34 H31 B -","- C136 H124 B4 -","4","1","","Ji, Lei; Edkins, Robert M.; Lorbach, Andreas; Krummenacher, Ivo; Brückner, Charlotte; Eichhorn, Antonius; Braunschweig, Holger; Engels, Bernd; Low, Paul J.; Marder, Todd B.","Electron Delocalization in Reduced Forms of 2-(BMes2)pyrene and 2,7-Bis(BMes2)pyrene.","Journal of the American Chemical Society","2015","137","21","6750","6753","10.1021/jacs.5b03805","","","0.71073","MoKα","","0.0954","0.0558","","","0.1236","0.145","","","","","","1.001","","","","has coordinates","138235","2020-10-21","18:00:00",""
"4123703","12.6565","0.0017","13.0782","0.0018","18.276","0.002","69.789","0.004","69.814","0.003","88.371","0.004","2650.3","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H79 B K O9 -","- C58 H79 B K O9 -","- C116 H158 B2 K2 O18 -","2","1","","Ji, Lei; Edkins, Robert M.; Lorbach, Andreas; Krummenacher, Ivo; Brückner, Charlotte; Eichhorn, Antonius; Braunschweig, Holger; Engels, Bernd; Low, Paul J.; Marder, Todd B.","Electron Delocalization in Reduced Forms of 2-(BMes2)pyrene and 2,7-Bis(BMes2)pyrene.","Journal of the American Chemical Society","2015","137","21","6750","6753","10.1021/jacs.5b03805","","","0.71073","MoKα","","0.209","0.0792","","","0.1631","0.2131","","","","","","0.935","","","","has coordinates,has disorder","138235","2020-10-21","18:00:00",""
"4123704","13.5255","0.001","17.0049","0.0014","13.7893","0.0011","90","","111.515","0.003","90","","2950.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H88 B2 K O8 -","- C62 H88 B2 K O8 -","- C124 H176 B4 K2 O16 -","2","0.5","","Ji, Lei; Edkins, Robert M.; Lorbach, Andreas; Krummenacher, Ivo; Brückner, Charlotte; Eichhorn, Antonius; Braunschweig, Holger; Engels, Bernd; Low, Paul J.; Marder, Todd B.","Electron Delocalization in Reduced Forms of 2-(BMes2)pyrene and 2,7-Bis(BMes2)pyrene.","Journal of the American Chemical Society","2015","137","21","6750","6753","10.1021/jacs.5b03805","","","0.71073","MoKα","","0.1","0.0582","","","0.1267","0.1461","","","","","","1.082","","","","has coordinates","138235","2020-10-21","18:00:00",""
"4123705","8.3467","0.0019","10.442","0.002","14.843","0.003","109.364","0.006","94.604","0.007","92.908","0.007","1212.4","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H54 B2 Cl6 -","- C54 H54 B2 Cl6 -","- C54 H54 B2 Cl6 -","1","0.5","","Ji, Lei; Edkins, Robert M.; Lorbach, Andreas; Krummenacher, Ivo; Brückner, Charlotte; Eichhorn, Antonius; Braunschweig, Holger; Engels, Bernd; Low, Paul J.; Marder, Todd B.","Electron Delocalization in Reduced Forms of 2-(BMes2)pyrene and 2,7-Bis(BMes2)pyrene.","Journal of the American Chemical Society","2015","137","21","6750","6753","10.1021/jacs.5b03805","","","0.71073","MoKα","","0.1537","0.0636","","","0.1368","0.1682","","","","","","0.884","","","","has coordinates","138235","2020-10-21","18:00:00",""
"4123706","12.9795","0.0015","13.2467","0.0015","14.3049","0.0016","113.322","0.003","105.449","0.003","100.815","0.004","2054.1","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H124 B2 K O12 -","- C88 H124 B2 K O12 -","- C88 H124 B2 K O12 -","1","0.5","","Ji, Lei; Edkins, Robert M.; Lorbach, Andreas; Krummenacher, Ivo; Brückner, Charlotte; Eichhorn, Antonius; Braunschweig, Holger; Engels, Bernd; Low, Paul J.; Marder, Todd B.","Electron Delocalization in Reduced Forms of 2-(BMes2)pyrene and 2,7-Bis(BMes2)pyrene.","Journal of the American Chemical Society","2015","137","21","6750","6753","10.1021/jacs.5b03805","","","0.71073","MoKα","","0.174","0.1141","","","0.3084","0.3496","","","","","","1.042","","","","has coordinates,has disorder","138235","2020-10-21","18:00:00",""
"4123707","11.3195","0.0007","15.4749","0.001","26.2562","0.0014","90","","95.0742","0.0018","90","","4581.2","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H148 B2 Li2 O12 -","- C100 H148 B2 Li2 O12 -","- C200 H296 B4 Li4 O24 -","2","0.5","","Ji, Lei; Edkins, Robert M.; Lorbach, Andreas; Krummenacher, Ivo; Brückner, Charlotte; Eichhorn, Antonius; Braunschweig, Holger; Engels, Bernd; Low, Paul J.; Marder, Todd B.","Electron Delocalization in Reduced Forms of 2-(BMes2)pyrene and 2,7-Bis(BMes2)pyrene.","Journal of the American Chemical Society","2015","137","21","6750","6753","10.1021/jacs.5b03805","","","0.71073","MoKα","","0.1092","0.0569","","","0.1432","0.1737","","","","","","1.02","","","","has coordinates,has disorder","138235","2020-10-21","18:00:00",""
"4123708","9.0598","0.0012","14.023","0.002","16.598","0.003","90","","90","","90","","2108.7","0.6","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Br3 N O2 -","- C19 H24 Br3 N O2 -","- C76 H96 Br12 N4 O8 -","4","1","","Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Bifunctional organocatalysts for the enantioselective synthesis of axially chiral isoquinoline N-oxides.","Journal of the American Chemical Society","2015","137","21","6766","6769","10.1021/jacs.5b04151","","","0.71075","MoKα","","","0.0415","","","","0.1129","","","","","","0.649","","","","has coordinates","138231","2020-10-21","18:00:00",""
"4123709","7.46","0.001","9.0181","0.0012","22.359","0.003","90","","90","","90","","1504.2","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H8 Br3 N O2 -","- C15 H8 Br3 N O2 -","- C60 H32 Br12 N4 O8 -","4","1","","Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Bifunctional organocatalysts for the enantioselective synthesis of axially chiral isoquinoline N-oxides.","Journal of the American Chemical Society","2015","137","21","6766","6769","10.1021/jacs.5b04151","","","0.71075","MoKα","","","0.036","","","","0.0802","","","","","","1.077","","","","has coordinates","138231","2020-10-21","18:00:00",""
"4123710","8.3582","0.0011","8.3582","0.0011","10.6098","0.0015","90","","90","","120","","641.89","0.15","293","2","293","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Cesium_Germanium_Iodide","","","- Cs Ge I3 -","- Cs Ge I3 -","- Cs3 Ge3 I9 -","3","0.166667","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.0278","0.0273","","","0.0586","0.0587","","","","","","1.232","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123711","8.5534","0.0013","8.5534","0.0013","11.162","0.002","90","","90","","120","","707.2","0.2","293","2","293","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","Methylammonium_Germanium_Iodide","","","- C H6 Ge I3 N -","- C Ge I3 N -","- C3 Ge3 I9 N3 -","3","0.166667","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.0382","0.0366","","","0.0533","0.0536","","","","","","1.366","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123712","8.4669","0.0015","8.4669","0.0015","11.729","0.002","90","","90","","120","","728.2","0.2","293","2","293","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","Formamidinium_Germanium_Iodide","","","- C H5 Ge I3 N2 -","- C Ge I3 N1.99 -","- C3 Ge3 I9 N5.97 -","3","0.166667","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.0332","0.027","","","0.0485","0.051","","","","","","1.112","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123713","12.5627","0.0005","9.3403","0.0004","14.8345","0.0007","90","","112.996","0.003","90","","1602.34","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Acetamidinium_Germanium_Iodide","","","- C2 H7 Ge I3 N2 -","- C2 H7 Ge I3 N2 -","- C12 H42 Ge6 I18 N12 -","6","3","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.037","0.027","","","0.0518","0.0539","","","","","","0.94","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123714","9.2308","0.0009","7.3399","0.0004","17.974","0.002","90","","120.65","0.008","90","","1047.67","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Guanidinium_Germanium_Iodide","","","- C H6 Ge I3 N3 -","- C H6 Ge I3 N3 -","- C4 H24 Ge4 I12 N12 -","4","1","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.05","0.0412","","","0.1031","0.1074","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123715","15.9457","0.0013","15.9457","0.0013","7.7504","0.0007","90","","90","","120","","1706.6","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","trimethylammonium_Germanium_iodide","","","- C3 H10 Ge I3 N -","- C3 Ge I3 N -","- C18 Ge6 I18 N6 -","6","1","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.1076","0.0692","","","0.1692","0.1922","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123716","7.9004","0.0003","7.9004","0.0003","36.988","0.002","90","","90","","90","","2308.65","0.18","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","isopropylammonium_Germanium_iodide","","","- C3 H10 Ge I3 N -","- C3 Ge I3 N -","- C24 Ge8 I24 N8 -","8","0.5","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.1018","0.0825","","","0.1439","0.1526","","","","","","1.254","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123717","26.5086","0.0006","26.5086","0.0006","5.1903","0.0003","90","","90","","90","","3647.3","0.2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0956","0.0513","","","0.1018","0.1147","","","","","","0.971","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123718","26.633","0.004","26.633","0.004","5.1305","0.0004","90","","90","","90","","3639.1","0.8","296","2","296","2","190000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0941","0.0855","","","0.2287","0.248","","","","","","1.126","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123719","26.564","0.005","26.564","0.005","5.024","0.0006","90","","90","","90","","3545.2","1","296","2","296","2","520000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1263","0.0949","","","0.2399","0.2663","","","","","","1.217","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123720","26.522","0.003","26.522","0.003","4.9344","0.0015","90","","90","","90","","3470.9","1.2","296","2","296","2","940000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1956","0.1074","","","0.2471","0.3052","","","","","","1.06","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123721","26.684","0.007","26.684","0.007","4.701","0.003","90","","90","","90","","3347","2","296","2","296","2","1040000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.258","0.1154","","","0.288","0.3856","","","","","","1.072","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123722","27.253","0.003","27.253","0.003","4.1475","0.0013","90","","90","","90","","3080.5","1.1","296","2","296","2","1410000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.2374","0.1407","","","0.3466","0.3996","","","","","","1.379","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123723","27.7477","0.0014","27.7477","0.0014","3.7669","0.0005","90","","90","","90","","2900.3","0.4","296","2","296","2","1960000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1569","0.0791","","","0.1877","0.2389","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123724","27.8114","0.0012","27.8114","0.0012","3.6899","0.0004","90","","90","","90","","2854","0.4","296","2","296","2","2400000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1099","0.0695","","","0.172","0.1985","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123725","27.7471","0.0009","27.7471","0.0009","3.6323","0.0003","90","","90","","90","","2796.5","0.3","296","2","296","2","2760000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0944","0.0722","","","0.179","0.1966","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123726","27.7529","0.0012","27.7529","0.0012","3.6022","0.0003","90","","90","","90","","2774.5","0.3","296","2","296","2","3180000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.109","0.071","","","0.1653","0.2004","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123727","27.7069","0.0013","27.7069","0.0013","3.5719","0.0003","90","","90","","90","","2742","0.3","296","2","296","2","3580000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0916","0.0699","","","0.1862","0.2159","","","","","","1.115","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123728","27.6922","0.0013","27.6922","0.0013","3.5492","0.0003","90","","90","","90","","2721.7","0.3","296","2","293","2","3820000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0832","0.0621","","","0.1556","0.1721","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123729","27.6968","0.0014","27.6968","0.0014","3.5351","0.0003","90","","90","","90","","2711.8","0.3","296","2","296","2","4060000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0908","0.0654","","","0.1503","0.1752","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123730","26.5757","0.0009","26.5757","0.0009","5.2077","0.0003","90","","90","","90","","3678","0.3","296","2","296","2","100000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1018","0.0747","","","0.1847","0.2146","","","","","","1.133","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123731","26.4701","0.0013","26.4701","0.0013","5.1884","0.0005","90","","90","","90","","3635.3","0.4","296","2","296","2","340000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1197","0.0682","","","0.1811","0.215","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123732","26.2621","0.0008","26.2621","0.0008","5.1856","0.0003","90","","90","","90","","3576.5","0.3","296","2","296","2","630000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0846","0.0679","","","0.1777","0.1959","","","","","","1.097","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123733","26.152","0.0007","26.152","0.0007","5.1356","0.0003","90","","90","","90","","3512.4","0.2","296","2","296","2","1130000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1113","0.0688","","","0.1653","0.1921","","","","","","1.077","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123734","26.297","0.002","26.297","0.002","4.9766","0.0007","90","","90","","90","","3441.5","0.6","296","2","296","2","1380000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1085","0.066","","","0.1463","0.1733","","","","","","1.029","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123735","26.3388","0.0008","26.3388","0.0008","4.856","0.0004","90","","90","","90","","3368.8","0.3","296","2","296","2","1710000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0885","0.0678","","","0.1733","0.1916","","","","","","1.142","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123736","26.421","0.0011","26.421","0.0011","4.7117","0.0005","90","","90","","90","","3289.1","0.4","296","2","296","2","2300000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1099","0.0727","","","0.192","0.2306","","","","","","1.122","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123737","26.558","0.003","26.558","0.003","4.6212","0.0015","90","","90","","90","","3259.5","1.2","296","2","296","2","2870000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.2485","0.0994","","","0.2414","0.3193","","","","","","1.001","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123738","26.533","0.002","26.533","0.002","4.5396","0.0009","90","","90","","90","","3195.9","0.7","296","2","296","2","3430000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1614","0.0936","","","0.2209","0.2685","","","","","","1.173","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123739","26.528","0.004","26.528","0.004","4.498","0.0016","90","","90","","90","","3165.4","1.3","296","2","296","2","4010000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1987","0.1006","","","0.2413","0.2983","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123740","26.5634","0.0007","26.5634","0.0007","5.1954","0.0002","90","","90","","90","","3665.9","0.2","296","2","296","2","20000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.088","0.0768","","","0.2274","0.2493","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123741","26.5471","0.0012","26.5471","0.0012","5.1352","0.0004","90","","90","","90","","3619","0.4","296","2","296","2","180000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1216","0.0677","","","0.164","0.1955","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123742","26.423","0.003","26.423","0.003","5.0845","0.0013","90","","90","","90","","3549.9","1.1","296","2","296","2","460000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1333","0.0732","","","0.1739","0.2129","","","","","","1.047","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123743","26.262","0.004","26.262","0.004","5.071","0.002","90","","90","","90","","3497.4","1.6","296","2","296","2","680000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.17","0.088","","","0.2441","0.2943","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123744","26.082","0.006","26.082","0.006","5.053","0.002","90","","90","","90","","3437.4","1.8","296","2","296","2","1080000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.4125","0.1571","","","0.3649","0.4974","","","","","","1.024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123745","17.392","0.0012","17.392","0.0012","18.982","0.0012","90","0.001","90","0.001","90","0.001","5741.7","0.7","293","2","293","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C64 H147 Cl4 Mo12 N4 O40 P Zn4 -","- C64 H144 Cl4 Mo12 N4 O40 P Zn4 -","- C128 H288 Cl8 Mo24 N8 O80 P2 Zn8 -","2","0.25","","Qin, Jun-Sheng; Du, Dong-Ying; Guan, Wei; Bo, Xiang-Jie; Li, Ya-Fei; Guo, Li-Ping; Su, Zhong-Min; Wang, Yuan-Yuan; Lan, Ya-Qian; Zhou, Hong-Cai","Ultrastable Polymolybdate-Based Metal-Organic Frameworks as Highly Active Electrocatalysts for Hydrogen Generation from Water.","Journal of the American Chemical Society","2015","137","22","7169","7177","10.1021/jacs.5b02688","","","0.71069","MoKα","","0.0552","0.0392","","","0.0988","0.1079","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123746","48.928","0.0013","48.928","0.0013","48.928","0.0012","90","0.001","90","0.001","90","0.001","117131","5","293","2","293","2","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","","- C84 H168 Mo12 N3 O66 P Zn4 -","- C36 H20 Mo12 O48 P Zn4 -","- C864 H480 Mo288 O1152 P24 Zn96 -","24","0.25","","Qin, Jun-Sheng; Du, Dong-Ying; Guan, Wei; Bo, Xiang-Jie; Li, Ya-Fei; Guo, Li-Ping; Su, Zhong-Min; Wang, Yuan-Yuan; Lan, Ya-Qian; Zhou, Hong-Cai","Ultrastable Polymolybdate-Based Metal-Organic Frameworks as Highly Active Electrocatalysts for Hydrogen Generation from Water.","Journal of the American Chemical Society","2015","137","22","7169","7177","10.1021/jacs.5b02688","","","0.71073","MoKα","","0.209","0.0693","","","0.1664","0.2045","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123747","28.8818","0.0013","27.4017","0.0013","26.7889","0.0012","90","","104.86","0.001","90","","20492","1.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C63 H118 Mo12 N3 O46 P Zn4 -","- C63 H115 Mo12 N3 O46 P Zn4 -","- C504 H920 Mo96 N24 O368 P8 Zn32 -","8","1","","Qin, Jun-Sheng; Du, Dong-Ying; Guan, Wei; Bo, Xiang-Jie; Li, Ya-Fei; Guo, Li-Ping; Su, Zhong-Min; Wang, Yuan-Yuan; Lan, Ya-Qian; Zhou, Hong-Cai","Ultrastable Polymolybdate-Based Metal-Organic Frameworks as Highly Active Electrocatalysts for Hydrogen Generation from Water.","Journal of the American Chemical Society","2015","137","22","7169","7177","10.1021/jacs.5b02688","","","0.71073","MoKα","","0.065","0.0461","","","0.1357","0.1509","","","","","","1.04","","","","has coordinates,has disorder","141354","2020-10-21","18:00:00",""
"4123748","12.8654","0.0008","18.9405","0.001","24.2937","0.0014","111.777","0.004","90.52","0.005","90.037","0.005","5497.1","0.6","100","0.2","100","0.2","","","","","","","","2","P -1","-P 1","2","","","","- C70 H66 -","- C70 H66 -","- C280 H264 -","4","2","","Cao, Jing; London, Gábor; Dumele, Oliver; von Wantoch Rekowski, Margarete; Trapp, Nils; Ruhlmann, Laurent; Boudon, Corinne; Stanger, Amnon; Diederich, François","The Impact of Antiaromatic Subunits in [4n+2] π-Systems: Bispentalenes with [4n+2] π-Electron Perimeters and Antiaromatic Character.","Journal of the American Chemical Society","2015","137","22","7178","7188","10.1021/jacs.5b03074","","x-ray","1.54178","CuKα","","0.1413","0.1022","","","0.2703","0.315","","","","","","1.139","","","","has coordinates,has disorder","154622","2020-10-21","18:00:00",""
"4123749","16.3401","0.0009","10.918","0.0007","27.3803","0.0015","90","","121.225","0.003","90","","4177.1","0.4","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H76 Cl18 D6 O4 -","- C80 H76 Cl18 D6 O4 -","- C160 H152 Cl36 D12 O8 -","2","0.5","","Cao, Jing; London, Gábor; Dumele, Oliver; von Wantoch Rekowski, Margarete; Trapp, Nils; Ruhlmann, Laurent; Boudon, Corinne; Stanger, Amnon; Diederich, François","The Impact of Antiaromatic Subunits in [4n+2] π-Systems: Bispentalenes with [4n+2] π-Electron Perimeters and Antiaromatic Character.","Journal of the American Chemical Society","2015","137","22","7178","7188","10.1021/jacs.5b03074","","x-ray","0.71073","MoKα","","0.1508","0.0937","","","0.2551","0.2868","","","","","","1.435","","","","has coordinates,has disorder","154622","2020-10-21","18:00:00",""
"4123750","13.9753","0.0009","15.459","0.0009","10.9343","0.0008","90","","101.803","0.002","90","","2312.3","0.3","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H46 Cl2 O4 -","- C63 H46 Cl2 O4 -","- C126 H92 Cl4 O8 -","2","0.5","","Cao, Jing; London, Gábor; Dumele, Oliver; von Wantoch Rekowski, Margarete; Trapp, Nils; Ruhlmann, Laurent; Boudon, Corinne; Stanger, Amnon; Diederich, François","The Impact of Antiaromatic Subunits in [4n+2] π-Systems: Bispentalenes with [4n+2] π-Electron Perimeters and Antiaromatic Character.","Journal of the American Chemical Society","2015","137","22","7178","7188","10.1021/jacs.5b03074","","x-ray","0.71073","MoKα","","0.0962","0.0566","","","0.1322","0.1504","","","","","","1.024","","","","has coordinates,has disorder","154622","2020-10-21","18:00:00",""
"4123751","19.4461","0.0011","21.3569","0.0011","40.01","0.002","102.186","0.0013","96.8631","0.0016","98.1991","0.0015","15882.7","1.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C204 H210 B12 N6 O12 -","- C185.4 H170.9 B12 N6 O12 -","- C370.8 H341.8 B24 N12 O24 -","2","1","","Ono, Kosuke; Johmoto, Kohei; Yasuda, Nobuhiro; Uekusa, Hidehiro; Fujii, Shintaro; Kiguchi, Manabu; Iwasawa, Nobuharu","Self-Assembly of Nanometer-Sized Boroxine Cages from Diboronic Acids.","Journal of the American Chemical Society","2015","137","22","7015","7018","10.1021/jacs.5b02716","","","0.78305","Synchrotron","","0.3317","0.2163","","","0.5394","0.5818","","","","","","1.501","","","","has coordinates","140111","2020-10-21","18:00:00",""
"4123752","5.1594","0.0002","11.0274","0.0006","15.274","0.0008","83.31","0.004","87.657","0.004","83.128","0.004","856.57","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H20 Ca O10.66 -","- C34 H20 Ca O10.66 -","- C34 H20 Ca O10.66 -","1","0.5","","Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Krishna, Rajamani; Schaef, Herbert T.; Ghose, Sanjit; Thallapally, Praveen K.; Parise, John B.","Direct Observation of Xe and Kr Adsorption in a Xe-Selective Microporous Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","22","7007","7010","10.1021/jacs.5b02556","","","0.71073","MoKα","","0.0657","0.044","","","0.1103","0.1242","","","","","","1.037","","","","has coordinates","140102","2020-10-21","18:00:00",""
"4123753","5.1011","0.0003","10.8715","0.0009","15.2363","0.0008","83.132","0.005","85.982","0.004","83.032","0.005","831.37","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H20 Ca O8 -","- C34 H20 Ca O8 -","- C34 H20 Ca O8 -","1","0.5","","Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Krishna, Rajamani; Schaef, Herbert T.; Ghose, Sanjit; Thallapally, Praveen K.; Parise, John B.","Direct Observation of Xe and Kr Adsorption in a Xe-Selective Microporous Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","22","7007","7010","10.1021/jacs.5b02556","","","0.71073","MoKα","","0.0854","0.0523","","","0.1166","0.1358","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123754","5.1812","0.0003","10.742","0.0006","15.1224","0.0006","82.466","0.004","84.928","0.004","82.691","0.005","825.41","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 Ca O8 Xe1.45 -","- C34 H20 Ca O8 Xe1.454 -","- C34 H20 Ca O8 Xe1.454 -","1","0.5","","Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Krishna, Rajamani; Schaef, Herbert T.; Ghose, Sanjit; Thallapally, Praveen K.; Parise, John B.","Direct Observation of Xe and Kr Adsorption in a Xe-Selective Microporous Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","22","7007","7010","10.1021/jacs.5b02556","","","1.54184","CuKα","","0.0568","0.0423","","","0.1018","0.1112","","","","","","1.03","","","","has coordinates","140102","2020-10-21","18:00:00",""
"4123755","5.1161","0.0003","10.8239","0.0004","15.2598","0.0004","82.99","0.002","85.885","0.003","83.05","0.004","831.16","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 Ca Kr0.51 O8 -","- C34 H20 Ca Kr0.507 O8 -","- C34 H20 Ca Kr0.507 O8 -","1","0.5","","Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Krishna, Rajamani; Schaef, Herbert T.; Ghose, Sanjit; Thallapally, Praveen K.; Parise, John B.","Direct Observation of Xe and Kr Adsorption in a Xe-Selective Microporous Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","22","7007","7010","10.1021/jacs.5b02556","","","1.54184","CuKα","","0.0562","0.0483","","","0.1259","0.1328","","","","","","1.067","","","","has coordinates","140102","2020-10-21","18:00:00",""
"4123756","11.5108","0.0005","14.3754","0.0006","43.5215","0.0018","90","","90","","90","","7201.6","0.5","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C84 H80 Li3 O11 Pr -","- C84 H80 Li3 O11 Pr -","- C336 H320 Li12 O44 Pr4 -","4","1","","Robinson, Jerome R.; Gu, Jun; Carroll, Patrick J.; Schelter, Eric J.; Walsh, Patrick J.","Exchange Processes in Shibasaki's Rare Earth Alkali Metal BINOLate Frameworks and Their Relevance in Multifunctional Asymmetric Catalysis.","Journal of the American Chemical Society","2015","137","22","7135","7144","10.1021/jacs.5b02201","","","0.71073","MoKα","","0.0384","0.0351","","","0.0734","0.0745","","","","","","1.141","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123757","14.58438","0.000014","14.58438","0.000014","12.22262","0.000017","90","","90","","120","","2251.49","0.004","150","3","150","3","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Al9 B18 Cl2 O65.24 -","- Al9 B18 Cl2 O65.2452 -","- Al18 B36 Cl4 O130.49 -","2","0.166667","","Chen, Hong; Ju, Jing; Meng, Qingpeng; Su, Jie; Lin, Cong; Zhou, Zhengyang; Li, Guobao; Wang, Weilu; Gao, Wenliang; Zeng, Chunmei; Tang, Chiu; Lin, Jianhua; Yang, Tao; Sun, Junliang","PKU-3: An HCl-Inclusive Aluminoborate for Strecker Reaction Solved by Combining RED and PXRD.","Journal of the American Chemical Society","2015","137","22","7047","7050","10.1021/jacs.5b03685","","","0.82613","synchrotron","","","","","","","","","","","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4123758","16.5692","0.001","16.5692","0.001","18.2847","0.0011","90","","90","","120","","4347.3","0.5","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C51 H48 I6 Mn6 N12 O20 -","- C51 H45 Mn6 N12 O20 -","- C102 H90 Mn12 N24 O40 -","2","0.166667","","Nguyen, Tu N.; Shiddiq, Muhandis; Ghosh, Tuhin; Abboud, Khalil A.; Hill, Stephen; Christou, George","Covalently Linked Dimer of Mn3 Single-Molecule Magnets and Retention of Its Structure and Quantum Properties in Solution.","Journal of the American Chemical Society","2015","137","22","7160","7168","10.1021/jacs.5b02677","","","0.71073","MoKα","","0.0615","0.0496","","","0.1315","0.1383","","","","","","1.063","","","","has coordinates","140103","2020-10-21","18:00:00",""
"4123759","7.1122","0.0009","24.368","0.003","11.4583","0.0015","90","","90.141","0.004","90","","1985.8","0.4","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 N2 S3 -","- C26 H14 N2 S3 -","- C104 H56 N8 S12 -","4","1","","Nakashima, Takuya; Tsuchie, Kenta; Kanazawa, Rui; Li, Ruiji; Iijima, Shunsuke; Galangau, Olivier; Nakagawa, Hisako; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro; Kawai, Tsuyoshi","Self-Contained Photoacid Generator Triggered by Photocyclization of Triangle Terarylene Backbone.","Journal of the American Chemical Society","2015","137","22","7023","7026","10.1021/jacs.5b02826","","","0.71075","MoKα","","","0.236","","","","0.5826","","","","","","2.406","","","","has coordinates","140104","2020-10-21","18:00:00",""
"4123760","11.7242","0.0002","8.21002","0.0001","46.3771","0.0009","90","","90","","90","","4464.07","0.13","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H18 N2 O S3 -","- C27 H18 N2 O S3 -","- C216 H144 N16 O8 S24 -","8","1","","Nakashima, Takuya; Tsuchie, Kenta; Kanazawa, Rui; Li, Ruiji; Iijima, Shunsuke; Galangau, Olivier; Nakagawa, Hisako; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro; Kawai, Tsuyoshi","Self-Contained Photoacid Generator Triggered by Photocyclization of Triangle Terarylene Backbone.","Journal of the American Chemical Society","2015","137","22","7023","7026","10.1021/jacs.5b02826","","","0.71075","MoKα","","","0.0472","","","","0.1038","","","","","","1.083","","","","has coordinates","140104","2020-10-21","18:00:00",""
"4123761","10.3888","0.0004","34.9174","0.0014","11.0842","0.0004","90","","108.356","0.001","90","","3816.2","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C39 H49 F3 N2 O3 P2 Pd S -","- C39 H49 F3 N2 O3 P2 Pd S -","- C156 H196 F12 N8 O12 P8 Pd4 S4 -","4","2","","Walker, Whitney K.; Kay, Benjamin M.; Michaelis, Scott A.; Anderson, Diana L.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J.","Origin of Fast Catalysis in Allylic Amination Reactions Catalyzed by Pd-Ti Heterobimetallic Complexes.","Journal of the American Chemical Society","2015","137","23","7371","7378","10.1021/jacs.5b02428","","","0.71073","MoKα","","0.0178","0.0176","","","0.045","0.045","","","","","","1.11","","","","has coordinates","141359","2020-10-21","18:00:00",""
"4123762","33.477","0.004","36.36","0.004","20.252","0.002","90","","90","","90","","24651","5","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C148 H172 N41.3 O73.1 Pd6 -","- C148 H172 N41.296 O73.096 Pd6 -","- C592 H688 N165.184 O292.384 Pd24 -","4","1","","Takezawa, Hiroki; Akiba, Shouta; Murase, Takashi; Fujita, Makoto","Cavity-Directed Chromism of Phthalein Dyes.","Journal of the American Chemical Society","2015","137","22","7043","7046","10.1021/jacs.5b03618","","","0.71073","MoKα","","0.0906","0.074","","","0.2011","0.2217","","","","","","1.08","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123763","7.4336","0.0003","8.2693","0.0003","18.5884","0.0007","90","","90","","90","","1142.64","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 I O3 -","- C11 H11 I O3 -","- C44 H44 I4 O12 -","4","1","","Vara, Brandon A.; Struble, Thomas J.; Wang, Weiwei; Dobish, Mark C.; Johnston, Jeffrey N.","Enantioselective Small Molecule Synthesis by Carbon Dioxide Fixation using a Dual Brønsted Acid/Base Organocatalyst.","Journal of the American Chemical Society","2015","137","23","7302","7305","10.1021/jacs.5b04425","","","0.71073","MoKα","","0.0152","0.0148","","","0.0376","0.0378","","","","","","1.155","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123764","19.2746","0.0009","7.6362","0.0002","20.2859","0.0006","90","","101.507","0.001","90","","2925.76","0.18","100","1","100","1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C16 H20 Cl N O -","- C16 H20 Cl N O -","- C128 H160 Cl8 N8 O8 -","8","2","","Zou, Yike; Melvin, Jason E.; Gonzales, Stephen S.; Spafford, Matthew J.; Smith, 3rd, Amos B","Total Synthesis of (-)-Nodulisporic Acid D.","Journal of the American Chemical Society","2015","137","22","7095","7098","10.1021/jacs.5b04728","","","0.71073","MoKα","","0.0288","0.0269","","","0.071","0.0723","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123765","4.7459","0.0005","12.7204","0.0015","13.5624","0.0015","77.046","0.002","86.923","0.004","89.175","0.004","796.77","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H34 N2 O6 -","- C44 H34 N2 O6 -","- C44 H34 N2 O6 -","1","0.5","","Pinto, Rui M.; Maçôas, Ermelinda M S; Neves, Ana I. S.; Raja, Sebastian; Baleizão, Carlos; Santos, Isabel C.; Alves, Helena","Effect of Molecular Stacking on Exciton Diffusion in Crystalline Organic Semiconductors.","Journal of the American Chemical Society","2015","137","22","7104","7110","10.1021/ja512886h","","","0.71073","MoKα","","0.113","0.0572","","","0.1242","0.1423","","","","","","0.929","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123766","8.3909","0.0003","16.0715","0.0006","17.1821","0.0007","69.335","0.002","81.159","0.003","89.378","0.003","2139.88","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H42 N2 O8 -","- C56 H42 N2 O8 -","- C112 H84 N4 O16 -","2","1","","Pinto, Rui M.; Maçôas, Ermelinda M S; Neves, Ana I. S.; Raja, Sebastian; Baleizão, Carlos; Santos, Isabel C.; Alves, Helena","Effect of Molecular Stacking on Exciton Diffusion in Crystalline Organic Semiconductors.","Journal of the American Chemical Society","2015","137","22","7104","7110","10.1021/ja512886h","","","0.71073","MoKα","","0.1371","0.0649","","","0.15","0.1722","","","","","","0.968","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123767","4.6336","0.0005","8.8667","0.001","14.3227","0.0015","76.02","0.004","87.317","0.005","82.441","0.004","565.98","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N2 O4 -","- C32 H26 N2 O4 -","- C32 H26 N2 O4 -","1","0.5","","Pinto, Rui M.; Maçôas, Ermelinda M S; Neves, Ana I. S.; Raja, Sebastian; Baleizão, Carlos; Santos, Isabel C.; Alves, Helena","Effect of Molecular Stacking on Exciton Diffusion in Crystalline Organic Semiconductors.","Journal of the American Chemical Society","2015","137","22","7104","7110","10.1021/ja512886h","","","0.71073","MoKα","","0.122","0.0496","","","0.1064","0.1247","","","","","","0.896","","","","has coordinates","140106","2020-10-21","18:00:00",""
"4123768","11.426","0.0006","12.5211","0.0005","14.2417","0.001","66.875","0.005","71.497","0.005","68.005","0.005","1702.42","0.18","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H84 Cl4 Ir2 Mg N6 O14 -","- C48 H72 Cl2 Ir2 Mg N6 O12 -","- C48 H72 Cl2 Ir2 Mg N6 O12 -","1","0.5","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Batista, Victor S.; Crabtree, Robert H.; Brudvig, Gary W.","Stable Iridium(IV) Complexes of an Oxidation-Resistant Pyridine-Alkoxide Ligand: Highly Divergent Redox Properties Depending on the Isomeric Form Adopted.","Journal of the American Chemical Society","2015","137","22","7243","7250","10.1021/jacs.5b04185","","","0.71073","MoKα","","0.0535","0.0425","","","0.0952","0.1155","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123769","14.734","0.004","19.6979","0.0004","22.2797","0.0016","90","","109.413","0.008","90","","6098.6","1.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 F6 Ir N3 O3 P -","- C25 H32 Cl2 F6 Ir N3 O3 P -","- C200 H256 Cl16 F48 Ir8 N24 O24 P8 -","8","2","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Batista, Victor S.; Crabtree, Robert H.; Brudvig, Gary W.","Stable Iridium(IV) Complexes of an Oxidation-Resistant Pyridine-Alkoxide Ligand: Highly Divergent Redox Properties Depending on the Isomeric Form Adopted.","Journal of the American Chemical Society","2015","137","22","7243","7250","10.1021/jacs.5b04185","","","0.71075","MoKα","","0.0223","0.0195","","","0.0383","0.039","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123770","9.6999","0.0002","13.7566","0.0003","22.4829","0.0016","90","","93.829","0.007","90","","2993.4","0.2","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 Cl2 F6 Ir N3 O3 P -","- C25 H32 Cl2 F6 Ir N3 O3 P -","- C100 H128 Cl8 F24 Ir4 N12 O12 P4 -","4","1","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Batista, Victor S.; Crabtree, Robert H.; Brudvig, Gary W.","Stable Iridium(IV) Complexes of an Oxidation-Resistant Pyridine-Alkoxide Ligand: Highly Divergent Redox Properties Depending on the Isomeric Form Adopted.","Journal of the American Chemical Society","2015","137","22","7243","7250","10.1021/jacs.5b04185","","","0.71075","MoKα","","0.024","0.0204","","","0.0431","0.0441","","","","","","1.14","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123771","7.5486","0.0015","16.115","0.003","17.618","0.004","102.73","0.03","94.37","0.03","100.05","0.03","2043.7","0.8","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C39 H15 F15 Ge N4 O2 -","- C39 H15 F15 Ge N4 O2 -","- C78 H30 F30 Ge2 N8 O4 -","2","2","","Fang, Huayi; Jing, Huize; Ge, Haonan; Brothers, Penelope J.; Fu, Xuefeng; Ye, Shengfa","The Mechanism of E-H (E = N, O) Bond Activation by a Germanium Corrole Complex: A Combined Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","22","7122","7127","10.1021/jacs.5b01121","","","0.71073","MoKα","","0.0698","0.0666","","","0.1714","0.1757","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123772","8.7906","0.0007","13.0704","0.001","15.0622","0.0012","104.497","0.001","98.215","0.001","90.056","0.001","1657.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 Hg N8 Se4 -","- C32 H30 Hg N8 Se4 -","- C64 H60 Hg2 N16 Se8 -","2","1","","Palmer, Joshua H.; Parkin, Gerard","Protolytic Cleavage of Hg-C Bonds Induced by 1-Methyl-1,3-dihydro-2H-benzimidazole-2-selone: Synthesis and Structural Characterization of Mercury Complexes.","Journal of the American Chemical Society","2015","137","13","4503","4516","10.1021/jacs.5b00840","","","0.71073","MoKα","","0.1123","0.081","","","0.1831","0.1869","","","","","","1.848","","","","has coordinates","137974","2020-10-21","18:00:00",""
"4123773","14.0994","0.0017","15.2939","0.0019","10.1211","0.0012","90","","92.8","0.002","90","","2179.9","0.5","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Hg I2 N4 Se2 -","- C16 H16 Hg I2 N4 Se2 -","- C64 H64 Hg4 I8 N16 Se8 -","4","1","","Palmer, Joshua H.; Parkin, Gerard","Protolytic Cleavage of Hg-C Bonds Induced by 1-Methyl-1,3-dihydro-2H-benzimidazole-2-selone: Synthesis and Structural Characterization of Mercury Complexes.","Journal of the American Chemical Society","2015","137","13","4503","4516","10.1021/jacs.5b00840","","","0.71073","MoKα","","0.0251","0.0218","","","0.0516","0.0525","","","","","","1.093","","","","has coordinates","137975","2020-10-21","18:00:00",""
"4123774","12.8918","0.0014","14.5673","0.0015","19","0.002","90","","94.939","0.002","90","","3554.9","0.7","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H32 Cl2 Hg N8 Se4 -","- C32 H32 Cl2 Hg N8 Se4 -","- C128 H128 Cl8 Hg4 N32 Se16 -","4","2","","Palmer, Joshua H.; Parkin, Gerard","Protolytic Cleavage of Hg-C Bonds Induced by 1-Methyl-1,3-dihydro-2H-benzimidazole-2-selone: Synthesis and Structural Characterization of Mercury Complexes.","Journal of the American Chemical Society","2015","137","13","4503","4516","10.1021/jacs.5b00840","","","0.71073","MoKα","","0.0684","0.0409","","","0.0617","0.0688","","","","","","1.011","","","","has coordinates","137976","2020-10-21","18:00:00",""
"4123775","16.884","0.002","8.4266","0.0011","30.211","0.004","90","","90","","90","","4298.3","0.9","130","2","130","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H16 Hg I2 N4 Se2 -","- C16 H16 Hg I2 N4 Se2 -","- C128 H128 Hg8 I16 N32 Se16 -","8","1","","Palmer, Joshua H.; Parkin, Gerard","Protolytic Cleavage of Hg-C Bonds Induced by 1-Methyl-1,3-dihydro-2H-benzimidazole-2-selone: Synthesis and Structural Characterization of Mercury Complexes.","Journal of the American Chemical Society","2015","137","13","4503","4516","10.1021/jacs.5b00840","","","0.71073","MoKα","","0.0904","0.0502","","","0.1081","0.1216","","","","","","0.988","","","","has coordinates","137977","2020-10-21","18:00:00",""
"4123776","35.08","0.04","7.555","0.009","17.7","0.02","90","","90.84","0.03","90","","4691","9","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C47 H80 Cl4 N O9 -","- C47 H61 Cl4 N O9 -","- C188 H244 Cl16 N4 O36 -","4","1","","Xiao, Qing; Young, Kyle; Zakarian, Armen","Total synthesis and structural revision of (+)-muironolide a.","Journal of the American Chemical Society","2015","137","18","5907","5910","10.1021/jacs.5b03531","","","0.71073","MoKα","","0.2745","0.1496","","","0.3445","0.423","","","","","","1.129","","","","has coordinates","137978","2020-10-21","18:00:00",""
"4123777","9.3536","0.0011","11.4987","0.0013","11.6776","0.0012","61.283","0.003","74.902","0.004","78.669","0.004","1059.7","0.2","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H0 N2 O4 -","- C26 H28 O4 -","- C52 H56 O8 -","2","1","","Saxena, Aakarsh; Perez, Felix; Krische, Michael J.","Ruthenium(0) Catalyzed Endiyne-α-Ketol [4 + 2] Cycloaddition: Convergent Assembly of Type II Polyketide Substructures via C-C Bond Forming Transfer Hydrogenation.","Journal of the American Chemical Society","2015","137","18","5883","5886","10.1021/jacs.5b02755","","","0.71073","MoKα","","0.0683","0.0436","","","0.1026","0.1198","","","","","","1.053","","","","has coordinates","137979","2020-10-21","18:00:00",""
"4123778","9.993","0.003","11.519","0.004","11.598","0.004","67.142","0.006","86.465","0.007","83.25","0.007","1221.5","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H34 O5 -","- C28 H34 O5 -","- C56 H68 O10 -","2","1","","Saxena, Aakarsh; Perez, Felix; Krische, Michael J.","Ruthenium(0) Catalyzed Endiyne-α-Ketol [4 + 2] Cycloaddition: Convergent Assembly of Type II Polyketide Substructures via C-C Bond Forming Transfer Hydrogenation.","Journal of the American Chemical Society","2015","137","18","5883","5886","10.1021/jacs.5b02755","","","0.71073","MoKα","","0.0823","0.0543","","","0.1186","0.1358","","","","","","1.034","","","","has coordinates","137980","2020-10-21","18:00:00",""
"4123779","22.6828","0.0017","10.5143","0.0007","23.5935","0.0018","90","","101.484","0.003","90","","5514.3","0.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 O6 -","- C32 H34 O6 -","- C256 H272 O48 -","8","1","","Saxena, Aakarsh; Perez, Felix; Krische, Michael J.","Ruthenium(0) Catalyzed Endiyne-α-Ketol [4 + 2] Cycloaddition: Convergent Assembly of Type II Polyketide Substructures via C-C Bond Forming Transfer Hydrogenation.","Journal of the American Chemical Society","2015","137","18","5883","5886","10.1021/jacs.5b02755","","","0.71073","MoKα","","0.0751","0.0597","","","0.164","0.1768","","","","","","1.052","","","","has coordinates,has disorder","137981","2020-10-21","18:00:00",""
"4123780","10.2794","0.0006","24.4539","0.0013","11.2795","0.0006","90","","92.034","0.003","90","","2833.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 O6 -","- C33 H36 O6 -","- C132 H144 O24 -","4","1","","Saxena, Aakarsh; Perez, Felix; Krische, Michael J.","Ruthenium(0) Catalyzed Endiyne-α-Ketol [4 + 2] Cycloaddition: Convergent Assembly of Type II Polyketide Substructures via C-C Bond Forming Transfer Hydrogenation.","Journal of the American Chemical Society","2015","137","18","5883","5886","10.1021/jacs.5b02755","","","0.71073","MoKα","","0.0552","0.0448","","","0.1075","0.1153","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123781","14.7729","0.0016","17.2564","0.0015","17.9954","0.0016","79.451","0.005","84.068","0.006","70.419","0.005","4244.8","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H56 N4 Ni2 Si -","- C48 H56 N4 Ni2 Si -","- C192 H224 N16 Ni8 Si4 -","4","2","","Steiman, Talia J.; Uyeda, Christopher","Reversible substrate activation and catalysis at an intact metal-metal bond using a redox-active supporting ligand.","Journal of the American Chemical Society","2015","137","18","6104","6110","10.1021/jacs.5b03092","","","0.71073","MoKα","","0.1124","0.0585","","","0.1464","0.1677","","","","","","0.961","","","","has coordinates","137983","2020-10-21","18:00:00",""
"4123782","28.029","0.002","14.9549","0.0006","22.436","0.002","90","","112.481","0.003","90","","8689.8","1.1","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H56 N4 Ni2 Si -","- C48 H56 N4 Ni2 Si -","- C384 H448 N32 Ni16 Si8 -","8","1","","Steiman, Talia J.; Uyeda, Christopher","Reversible substrate activation and catalysis at an intact metal-metal bond using a redox-active supporting ligand.","Journal of the American Chemical Society","2015","137","18","6104","6110","10.1021/jacs.5b03092","","","1.54178","CuKα","","0.138","0.0467","","","0.081","0.1031","","","","","","0.78","","","","has coordinates","137983","2020-10-21","18:00:00",""
"4123783","8.336","0.0005","14.5421","0.0005","16.3083","0.0006","77.782","0.002","86.567","0.004","77.599","0.004","1886.87","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H56 N4 Ni2 Si -","- C40 H56 N4 Ni2 Si -","- C80 H112 N8 Ni4 Si2 -","2","1","","Steiman, Talia J.; Uyeda, Christopher","Reversible substrate activation and catalysis at an intact metal-metal bond using a redox-active supporting ligand.","Journal of the American Chemical Society","2015","137","18","6104","6110","10.1021/jacs.5b03092","","","1.54178","CuKα","","0.0491","0.0468","","","0.1345","0.1376","","","","","","1.135","","","","has coordinates","137983","2020-10-21","18:00:00",""
"4123784","26.621","0.007","14.879","0.004","27.483","0.007","90","","90.101","0.007","90","","10886","5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C94.5 H108 F12 N16 O21.5 Ru6 S4 -","- C94.5 H108 F12 N16 O21.5 Ru6 S4 -","- C378 H432 F48 N64 O86 Ru24 S16 -","4","1","","Park, Yu Jin; Ryu, Ji Yeon; Begum, Halima; Lee, Min Hyung; Stang, Peter J.; Lee, Junseong","Selective Formation of Heterometallic Ru-Ag Supramolecules via Stoichiometric Control of Multiple Different Tectons.","Journal of the American Chemical Society","2015","137","18","5863","5866","10.1021/jacs.5b01253","","","0.71073","MoKα","","0.1406","0.0715","","","0.1516","0.1828","","","","","","0.969","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123785","16.1775","0.0003","16.6309","0.0003","17.1767","0.0003","99.285","0.001","114.258","0.001","104.744","0.001","3884.84","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C109 H102 Ag6 F18 N24 O25 Ru6 S6 -","- C109 H102 Ag6 F18 N24 O25 Ru6 S6 -","- C109 H102 Ag6 F18 N24 O25 Ru6 S6 -","1","0.5","","Park, Yu Jin; Ryu, Ji Yeon; Begum, Halima; Lee, Min Hyung; Stang, Peter J.; Lee, Junseong","Selective Formation of Heterometallic Ru-Ag Supramolecules via Stoichiometric Control of Multiple Different Tectons.","Journal of the American Chemical Society","2015","137","18","5863","5866","10.1021/jacs.5b01253","","","0.71073","MoKα","","0.2348","0.0825","","","0.1786","0.2362","","","","","","0.959","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123786","26.577","0.002","26.577","0.002","59.934","0.004","90","","90","","120","","36662","5","110","","110","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C397 H585 Cl12 N51 O87 -","- C397 H561 Cl11.94 N51 O87 -","- C1191 H1683 Cl35.82 N153 O261 -","3","0.333333","","Wu, Xiangxiang; Liu, Rui; Sathyamoorthy, Bharathwaj; Yamato, Kazuhiro; Liang, Guoxing; Shen, Lin; Ma, Sufang; Sukumaran, Dinesh K.; Szyperski, Thomas; Fang, Weihai; He, Lan; Chen, Xuebo; Gong, Bing","Discrete stacking of aromatic oligoamide macrocycles.","Journal of the American Chemical Society","2015","137","18","5879","5882","10.1021/jacs.5b02552","","","0.71073","MoKα","","0.2234","0.1138","","","0.2938","0.3461","","","","","","0.927","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123787","26.449","0.007","26.449","0.007","59.41","0.03","90","","90","","120","","35992","2","110","","110","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C396 H564 Cl9 N39 O87 -","- C396.03 H495.09 Cl9 N39 O87 -","- C1188.09 H1485.27 Cl27 N117 O261 -","3","0.333333","","Wu, Xiangxiang; Liu, Rui; Sathyamoorthy, Bharathwaj; Yamato, Kazuhiro; Liang, Guoxing; Shen, Lin; Ma, Sufang; Sukumaran, Dinesh K.; Szyperski, Thomas; Fang, Weihai; He, Lan; Chen, Xuebo; Gong, Bing","Discrete stacking of aromatic oligoamide macrocycles.","Journal of the American Chemical Society","2015","137","18","5879","5882","10.1021/jacs.5b02552","","","0.71073","MoKα","","0.1864","0.0913","","","0.2397","0.2791","","","","","","0.801","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123788","8.581","0.0003","9.1263","0.0004","24.3122","0.0011","92.037","0.003","91.652","0.003","110.704","0.004","1778.13","0.14","99.9","0.4","99.9","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","2","","Wang, Zhaobin; Sheong, Fu Kit; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Sun, Jianwei","Catalytic enantioselective intermolecular desymmetrization of azetidines.","Journal of the American Chemical Society","2015","137","18","5895","5898","10.1021/jacs.5b03083","","x-ray","1.5418","CuKα","","0.0501","0.0426","","","0.1147","0.1213","","","","","","1.003","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123789","24.7884","0.0005","4.9779","0.00009","20.9526","0.0004","90","","104.037","0.002","90","","2508.23","0.09","99.9","0.3","99.9","0.3","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27.5 H30 Cl N O5 -","- C27.5 H29 Cl N O5 -","- C110 H116 Cl4 N4 O20 -","4","1","","Wang, Zhaobin; Sheong, Fu Kit; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Sun, Jianwei","Catalytic enantioselective intermolecular desymmetrization of azetidines.","Journal of the American Chemical Society","2015","137","18","5895","5898","10.1021/jacs.5b03083","","x-ray","1.54184","CuKα","","0.0457","0.0429","","","0.1132","0.1162","","","","","","1.004","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123790","8.2394","0.0005","16.8092","0.0007","10.9777","0.0005","90","","106.356","0.002","90","","1458.86","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","TL-1-2","","","- C15 H14 F3 N O3 S -","- C14 H14 F3 N O3 S -","- C56 H56 F12 N4 O12 S4 -","4","1","","Liu, Tao; Mei, Tian-Sheng; Yu, Jin-Quan","γ,δ,ε-C(sp(3))-H Functionalization through Directed Radical H-Abstraction.","Journal of the American Chemical Society","2015","137","18","5871","5874","10.1021/jacs.5b02065","","","0.71073","MoKα","","0.0434","0.0382","","","0.0915","0.0944","","","","","","1.095","","","","has coordinates","137990","2020-10-21","18:00:00",""
"4123791","6.1326","0.0004","27.1761","0.0014","8.9213","0.0005","90","","103.651","0.001","90","","1444.82","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F7 I N O -","- C13 H9 F7 I N O -","- C52 H36 F28 I4 N4 O4 -","4","1","","Liu, Tao; Mei, Tian-Sheng; Yu, Jin-Quan","γ,δ,ε-C(sp(3))-H Functionalization through Directed Radical H-Abstraction.","Journal of the American Chemical Society","2015","137","18","5871","5874","10.1021/jacs.5b02065","","","0.71073","MoKα","","0.0498","0.0493","","","0.1166","0.1168","","","","","","1.224","","","","has coordinates","137991","2020-10-21","18:00:00",""
"4123792","10.0394","0.0003","10.2786","0.0004","12.2513","0.0005","89.019","0.003","80.442","0.003","75.736","0.003","1207.87","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H42 Cl4 Fe2 N4 O6 -","- C56 H42 Cl4 Fe2 N4 O6 -","- C56 H42 Cl4 Fe2 N4 O6 -","1","0.5","","Pariyar, Anand; Vijaykumar, Gonela; Bhunia, Mrinal; Dey, Suman Kr; Singh, Santosh K.; Kurungot, Sreekumar; Mandal, Swadhin K.","Switching closed-shell to open-shell phenalenyl: toward designing electroactive materials.","Journal of the American Chemical Society","2015","137","18","5955","5960","10.1021/jacs.5b00272","","x-ray","0.71073","MoKα","","0.0491","0.0414","","","0.1141","0.12","","","","","","1.106","","","","has coordinates","137992","2020-10-21","18:00:00",""
"4123793","9.1457","0.0007","9.4389","0.0009","9.693","0.0008","99.622","0.003","116.183","0.003","97.613","0.003","719.94","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C28 H38 N2 O10 -","2","1","","Diethelm, Stefan; Carreira, Erick M.","Total Synthesis of Gelsemoxonine through a Spirocyclopropane Isoxazolidine Ring Contraction.","Journal of the American Chemical Society","2015","137","18","6084","6096","10.1021/jacs.5b02574","","","0.71073","MoKα","","0.0531","0.043","","","0.1134","0.1259","","","","","","0.967","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123794","9.9057","0.001","10.7324","0.0011","12.5346","0.0014","108.396","0.003","93.92","0.004","101.374","0.003","1227.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H33 N O9 -","- C23 H33 N O9 -","- C46 H66 N2 O18 -","2","1","","Diethelm, Stefan; Carreira, Erick M.","Total Synthesis of Gelsemoxonine through a Spirocyclopropane Isoxazolidine Ring Contraction.","Journal of the American Chemical Society","2015","137","18","6084","6096","10.1021/jacs.5b02574","","","0.71073","MoKα","","0.0623","0.0427","","","0.0992","0.1095","","","","","","1.156","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123795","15.4759","0.001","12.6368","0.0008","12.476","0.0008","90","","100.839","0.003","90","","2396.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 N O8 -","- C23 H31 N O8 -","- C92 H124 N4 O32 -","4","1","","Diethelm, Stefan; Carreira, Erick M.","Total Synthesis of Gelsemoxonine through a Spirocyclopropane Isoxazolidine Ring Contraction.","Journal of the American Chemical Society","2015","137","18","6084","6096","10.1021/jacs.5b02574","","","1.54178","CuKα","","0.041","0.0356","","","0.1048","0.1082","","","","","","1.657","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123796","16.116","0.003","26.333","0.005","12.366","0.003","90","","100.46","0.03","90","","5160.7","1.9","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C26 H33 N O8 -","- C26 H33 N O8 -","- C208 H264 N8 O64 -","8","4","","Diethelm, Stefan; Carreira, Erick M.","Total Synthesis of Gelsemoxonine through a Spirocyclopropane Isoxazolidine Ring Contraction.","Journal of the American Chemical Society","2015","137","18","6084","6096","10.1021/jacs.5b02574","","","0.71073","MoKα","","0.1583","0.1106","","","0.2444","0.2632","","","","","","1.481","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123797","9.1841","0.0007","12.3092","0.0009","12.8385","0.0009","66.599","0.005","74.656","0.006","70.773","0.005","1242.61","0.17","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H20 Br2 -","- C36 H20 Br2 -","- C72 H40 Br4 -","2","1","","Liu, Junzhi; Li, Bo-Wei; Tan, Yuan-Zhi; Giannakopoulos, Angelos; Sanchez-Sanchez, Carlos; Beljonne, David; Ruffieux, Pascal; Fasel, Roman; Feng, Xinliang; Müllen, Klaus","Toward cove-edged low band gap graphene nanoribbons.","Journal of the American Chemical Society","2015","137","18","6097","6103","10.1021/jacs.5b03017","","","0.71073","MoKα","","0.0597","0.0361","","","0.0808","0.0967","","","","","","1.037","","","","has coordinates","137997","2020-10-21","18:00:00",""
"4123798","7.4715","0.0006","5.8406","0.0005","20.5248","0.0017","90","","95.799","0.003","90","","891.08","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 Br N -","- C23 H20 Br N -","- C46 H40 Br2 N2 -","2","1","","Zhao, Chenfei; Seidel, Daniel","Enantioselective a(3) reactions of secondary amines with a cu(i)/acid-thiourea catalyst combination.","Journal of the American Chemical Society","2015","137","14","4650","4653","10.1021/jacs.5b02071","","","0.71073","MoKα","","0.0928","0.0669","","","0.1273","0.1383","","","","","","1","","","","has coordinates","137998","2020-10-21","18:00:00",""
"4123799","6.085","0.0004","23.7722","0.0015","11.9955","0.0007","90","","103.126","0.0008","90","","1689.86","0.18","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","","Hong, Allen Y.; Vanderwal, Christopher D.","A Synthesis of Alsmaphorazine B Demonstrates the Chemical Feasibility of a New Biogenetic Hypothesis.","Journal of the American Chemical Society","2015","137","23","7306","7309","10.1021/jacs.5b04686","","","0.71073","MoKα","","0.0572","0.0476","","","0.121","0.1278","","","","","","1.029","","","","has coordinates","140131","2020-10-21","18:00:00",""
"4123800","8.3551","0.0007","8.8733","0.0008","12.5301","0.0011","76.5162","0.001","74.1344","0.001","80.8092","0.0011","864.34","0.13","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C40 H40 N4 O10 -","2","1","","Hong, Allen Y.; Vanderwal, Christopher D.","A Synthesis of Alsmaphorazine B Demonstrates the Chemical Feasibility of a New Biogenetic Hypothesis.","Journal of the American Chemical Society","2015","137","23","7306","7309","10.1021/jacs.5b04686","","","0.71073","MoKα","","0.0502","0.0412","","","0.1004","0.1064","","","","","","1.062","","","","has coordinates","140131","2020-10-21","18:00:00",""
"4123801","14.2403","0.0007","18.9818","0.0009","20.7746","0.0013","90","","103.839","0.002","90","","5452.5","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H75 Fe2 N4 P4 S Si2 -","- C54 H75 Fe2 N4 P4 S Si2 -","- C216 H300 Fe8 N16 P16 S4 Si8 -","4","0.5","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.0726","0.046","","","0.106","0.1182","","","","","","1.08","","","","has coordinates","141360","2020-10-21","18:00:00",""
"4123802","16.5053","0.001","16.6824","0.001","18.8438","0.0011","73.269","0.002","77.147","0.002","88.109","0.002","4841.8","0.5","100","2","100.01","","","","","","","","","10","P -1","-P 1","2","","","","- C80 H80 B F24 Fe2 N4 O2 P4 S Si2 -","- C86 H87 B F24 Fe2 N4 P4 S Si2 -","- C172 H174 B2 F48 Fe4 N8 P8 S2 Si4 -","2","1","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.1746","0.0805","","","0.1761","0.202","","","","","","0.93","","","","has coordinates,has disorder","141360","2020-10-21","18:00:00",""
"4123803","13.3999","0.0006","15.4526","0.0007","21.3794","0.0009","72.636","0.002","73.491","0.003","77.74","0.003","4011.4","0.3","100","2","100.01","","","","","","","","","9","P -1","-P 1","2","","","","- C70 H107 Fe2 N4 Na O8 P4 S Si2 -","- C70 H107 Fe2 N4 Na O8 P4 S Si2 -","- C140 H214 Fe4 N8 Na2 O16 P8 S2 Si4 -","2","1","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.0462","0.0325","","","0.0789","0.0827","","","","","","1.047","","","","has coordinates,has disorder","141360","2020-10-21","18:00:00",""
"4123804","46.201","0.006","14.4217","0.0017","35.447","0.004","90","","114.858","0.003","90","","21430","4","101","2","101","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C117 H132 Cl2 Fe2 N P6 S Si2 -","- C117 H132 Cl2 Fe2 N P6 S Si2 -","- C936 H1056 Cl16 Fe16 N8 P48 S8 Si16 -","8","2","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.074","0.0461","","","0.086","0.0943","","","","","","1.008","","","","has coordinates,has disorder","141360","2020-10-21","18:00:00",""
"4123805","13.6501","0.0004","19.5046","0.0007","20.8033","0.0006","90","","90","","90","","5538.7","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C55 H76 Fe2 O2 P4 S Si2 -","- C55 H76 Fe2 O2 P4 S Si2 -","- C220 H304 Fe8 O8 P16 S4 Si8 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.1359","0.066","","","0.1183","0.1368","","","","","","1.012","","","","has coordinates,has disorder","141360","2020-10-21","18:00:00",""
"4123806","14.2749","0.0008","18.9396","0.001","20.7859","0.0011","90","","104.011","0.002","90","","5452.5","0.5","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C27 H37.5 Cl0.1 Fe N2 P2 S0.5 Si -","- C27 H37.5 Cl0.151 Fe N1.698 P2 S0.5 Si -","- C216 H300 Cl1.208 Fe8 N13.584 P16 S4 Si8 -","8","1","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.1101","0.0566","","","0.0976","0.1115","","","","","","1.064","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123807","14.5315","0.0005","14.5632","0.0006","23.5306","0.0009","80.861","0.001","85.585","0.001","61.516","0.001","4321.3","0.3","100","2","99.97","","","","","","","","","9","P -1","-P 1","2","","","","- C72 H75 Fe2 N4 Na O8.5 P4 S Si2 -","- C70 H75 Fe2 N4 Na O8 P4 S Si2 -","- C140 H150 Fe4 N8 Na2 O16 P8 S2 Si4 -","2","1","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.1256","0.0806","","","0.2463","0.2716","","","","","","1.152","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123808","17.349","0.004","17.563","0.004","23.855","0.005","90","","90","","90","","7269","3","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H68 Fe2 N6 O9 -","- C62 H68 Fe2 N6 O9 -","- C248 H272 Fe8 N24 O36 -","4","1","","Wang, Yuefei; Qi, Wei; Huang, Renliang; Yang, Xuejiao; Wang, Mengfan; Su, Rongxin; He, Zhimin","Rational Design of Chiral Nanostructures from Self-Assembly of a Ferrocene-Modified Dipeptide.","Journal of the American Chemical Society","2015","137","24","7869","7880","10.1021/jacs.5b03925","","","0.71073","MoKα","","0.0816","0.0696","","","0.1796","0.1876","","","","","","1.043","","","","has coordinates,has disorder","140124","2020-10-21","18:00:00",""
"4123809","12.8381","0.001","13.7456","0.001","23.3799","0.0016","84.519","0.003","80.511","0.003","64.036","0.003","3657.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.33 H22.67 Au Cl0.67 F4 P -","- C26.3333 H22.6667 Au Cl0.666667 F4 P -","- C158 H136 Au6 Cl4 F24 P6 -","6","3","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Halide-Dependent Mechanisms of Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2015","137","24","7921","7928","10.1021/jacs.5b04613","","","0.71073","MoKα","","0.03","0.0218","","","0.0396","0.0419","","","","","","1.019","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4123810","9.8032","0.0007","13.4073","0.0009","18.8219","0.0013","88.155","0.001","89.724","0.002","75.745","0.001","2396.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Au Br F3 P -","- C26 H22 Au Br F3 P -","- C104 H88 Au4 Br4 F12 P4 -","4","2","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Halide-Dependent Mechanisms of Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2015","137","24","7921","7928","10.1021/jacs.5b04613","","","0.71073","MoKα","","0.0297","0.028","","","0.0722","0.0727","","","","","","1.059","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4123811","9.7809","0.0005","13.4014","0.0007","18.6278","0.001","88.639","0.001","89.945","0.001","75.539","0.001","2363.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Au Cl F3 P -","- C26 H22 Au Cl F3 P -","- C104 H88 Au4 Cl4 F12 P4 -","4","2","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Halide-Dependent Mechanisms of Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2015","137","24","7921","7928","10.1021/jacs.5b04613","","","0.71073","MoKα","","0.0585","0.0412","","","0.0894","0.0994","","","","","","1.07","","","","has coordinates","140127","2020-10-21","18:00:00",""
"4123812","14.634","0.0005","20.4371","0.0006","8.1543","0.0003","90","","96.873","0.003","90","","2421.23","0.14","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br2 N2 -","- C12 H10 Br2 N2 -","- C96 H80 Br16 N16 -","8","2","","Wang, Xiao-Ye; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus","B2N2-Dibenzo[a,e]pentalenes: Effect of the BN Orientation Pattern on Antiaromaticity and Optoelectronic Properties.","Journal of the American Chemical Society","2015","137","24","7668","7671","10.1021/jacs.5b05056","","","0.71073","MoKα","","0.0677","0.0406","","","0.0888","0.1024","","","","","","1.035","","","","has coordinates","140120","2020-10-21","18:00:00",""
"4123813","7.9059","0.0005","12.0886","0.0007","14.4605","0.0009","98.694","0.005","98.987","0.005","107.194","0.005","1275.2","0.15","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 B2 N2 -","- C30 H30 B2 N2 -","- C60 H60 B4 N4 -","2","1","","Wang, Xiao-Ye; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus","B2N2-Dibenzo[a,e]pentalenes: Effect of the BN Orientation Pattern on Antiaromaticity and Optoelectronic Properties.","Journal of the American Chemical Society","2015","137","24","7668","7671","10.1021/jacs.5b05056","","","1.54178","CuKα","","0.0568","0.0489","","","0.1269","0.1369","","","","","","1.056","","","","has coordinates,has disorder","140120","2020-10-21","18:00:00",""
"4123814","7.8983","0.0006","14.439","0.0008","16.3846","0.0009","90","","90","","90","","1868.6","0.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 B Br N2 -","- C21 H20 B Br N2 -","- C84 H80 B4 Br4 N8 -","4","1","","Wang, Xiao-Ye; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus","B2N2-Dibenzo[a,e]pentalenes: Effect of the BN Orientation Pattern on Antiaromaticity and Optoelectronic Properties.","Journal of the American Chemical Society","2015","137","24","7668","7671","10.1021/jacs.5b05056","","","1.54178","CuKα","","0.0433","0.0409","","","0.1057","0.1126","","","","","","1.118","","","","has coordinates","140120","2020-10-21","18:00:00",""
"4123815","7.8679","0.0004","12.1091","0.0006","14.4027","0.0008","100.757","0.004","96.057","0.005","107.155","0.004","1269.12","0.12","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H30 B2 N2 -","- C30 H30 B2 N2 -","- C60 H60 B4 N4 -","2","2","","Wang, Xiao-Ye; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus","B2N2-Dibenzo[a,e]pentalenes: Effect of the BN Orientation Pattern on Antiaromaticity and Optoelectronic Properties.","Journal of the American Chemical Society","2015","137","24","7668","7671","10.1021/jacs.5b05056","","","0.71073","MoKα","","0.0599","0.0377","","","0.0918","0.107","","","","","","1.023","","","","has coordinates,has disorder","140120","2020-10-21","18:00:00",""
"4123816","30.582","0.003","30.582","0.003","30.582","0.003","90","","90","","90","","28602","5","123","","123","","","","","","","","","5","I 41 3 2","I 4bd 2c 3","214","","","","- C60 H42 N6 O12 Rb1.4 -","- C60 H42 N6 O12 Rb1.398 -","- C480 H336 N48 O96 Rb11.184 -","8","0.166667","","Mizuno, Asato; Shuku, Yoshiaki; Suizu, Rie; Matsushita, Michio M.; Tsuchiizu, Masahisa; Reta Mañeru, Daniel; Illas, Francesc; Robert, Vincent; Awaga, Kunio","Discovery of the K4 Structure Formed by a Triangular π Radical Anion.","Journal of the American Chemical Society","2015","137","24","7612","7615","10.1021/jacs.5b04180","","","0.71075","MoKα","","0.1341","0.1217","","","0.3413","0.3552","","","","","","1.22","","","","has coordinates","140123","2020-10-21","18:00:00",""
"4123817","8.0146","0.0001","16.3445","0.0003","23.5016","0.0017","90","","93.394","0.007","90","","3073.2","0.2","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 F5 N2 Ni -","- C35 H37 F5 N2 Ni -","- C140 H148 F20 N8 Ni4 -","4","1","","Nett, Alex J.; Zhao, Wanxiang; Zimmerman, Paul M.; Montgomery, John","Highly Active Nickel Catalysts for C-H Functionalization Identified through Analysis of Off-Cycle Intermediates.","Journal of the American Chemical Society","2015","137","24","7636","7639","10.1021/jacs.5b04548","","","1.54178","CuKα","","0.1068","0.1049","","","0.2497","0.251","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123818","6.737","0.003","12.384","0.005","14.328","0.006","90","","90","","90","","1195.4","0.9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","","Zhu, Chendan; Liang, Yong; Hong, Xin; Sun, Heqing; Sun, Wei-Yin; Houk, K. N.; Shi, Zhuangzhi","Iodoarene-Catalyzed Stereospecific Intramolecular sp(3) C-H Amination: Reaction Development and Mechanistic Insights.","Journal of the American Chemical Society","2015","137","24","7564","7567","10.1021/jacs.5b03488","","","0.71073","MoKα","","0.0755","0.0627","","","0.1562","0.1649","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123819","8.209","0.0011","9.9163","0.0013","27.474","0.004","90","","90","","90","","2236.5","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DHM6-170C","toste126","","- C25 H28 N4 O2 -","- C25 H28 N4 O2 -","- C100 H112 N16 O8 -","4","1","","Miles, Dillon H.; Guasch, Joan; Toste, F. Dean","A Nucleophilic Strategy for Enantioselective Intermolecular α-Amination: Access to Enantioenriched α-Arylamino Ketones.","Journal of the American Chemical Society","2015","137","24","7632","7635","10.1021/jacs.5b04518","","","1.54178","CuKα","","0.0286","0.0284","","","0.0747","0.0749","","","","","","1.068","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123820","13.5851","0.0013","26.924","0.003","27.669","0.003","90","","90","","90","","10120.4","1.8","90","","90","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C106 H131 Ag2 B F4 Fe2 N4 O21 S -","- C106 H131 Ag2 B F4 Fe2 N4 O21 S -","- C424 H524 Ag8 B4 F16 Fe8 N16 O84 S4 -","4","1","","Yamagishi, Hiroshi; Fukino, Takahiro; Hashizume, Daisuke; Mori, Tadashi; Inoue, Yoshihisa; Hikima, Takaaki; Takata, Masaki; Aida, Takuzo","Metal-Organic Nanotube with Helical and Propeller-Chiral Motifs Composed of a C10-Symmetric Double-Decker Nanoring.","Journal of the American Chemical Society","2015","137","24","7628","7631","10.1021/jacs.5b04386","","","0.71073","MoKα","","0.1854","0.0877","","","0.222","0.2821","","","","","","1.005","","","","has coordinates,has disorder","140128","2020-10-21","18:00:00",""
"4123821","16.6004","0.0005","26.8286","0.0008","11.536","0.0003","90","","109.228","0.002","90","","4851.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H67 Co N5 -","- C51 H67 Co N5 -","- C204 H268 Co4 N20 -","4","1","","Schmidt, Valerie A.; Hoyt, Jordan M.; Margulieux, Grant W.; Chirik, Paul J.","Cobalt-Catalyzed [2π + 2π] Cycloadditions of Alkenes: Scope, Mechanism, and Elucidation of Electronic Structure of Catalytic Intermediates.","Journal of the American Chemical Society","2015","137","24","7903","7914","10.1021/jacs.5b04034","","","1.54178","CuKα","","0.0694","0.052","","","0.122","0.1305","","","","","","1.044","","","","has coordinates","141357","2020-10-21","18:00:00",""
"4123822","16.0184","0.0007","19.8059","0.0008","32.6528","0.0014","90","","90","","90","","10359.4","0.8","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C50 H64 Co N4 O -","- C50 H64 Co N4 O -","- C400 H512 Co8 N32 O8 -","8","1","","Schmidt, Valerie A.; Hoyt, Jordan M.; Margulieux, Grant W.; Chirik, Paul J.","Cobalt-Catalyzed [2π + 2π] Cycloadditions of Alkenes: Scope, Mechanism, and Elucidation of Electronic Structure of Catalytic Intermediates.","Journal of the American Chemical Society","2015","137","24","7903","7914","10.1021/jacs.5b04034","","","1.54178","CuKα","","0.0974","0.0789","","","0.1916","0.2025","","","","","","1.103","","","","has coordinates","141357","2020-10-21","18:00:00",""
"4123823","11.7099","0.0002","13.5494","0.0002","21.0167","0.0004","90","","106.02","0.001","90","","3205.06","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 Co N5 -","- C35 H47 Co N5 -","- C140 H188 Co4 N20 -","4","1","","Schmidt, Valerie A.; Hoyt, Jordan M.; Margulieux, Grant W.; Chirik, Paul J.","Cobalt-Catalyzed [2π + 2π] Cycloadditions of Alkenes: Scope, Mechanism, and Elucidation of Electronic Structure of Catalytic Intermediates.","Journal of the American Chemical Society","2015","137","24","7903","7914","10.1021/jacs.5b04034","","","1.54178","CuKα","","0.0308","0.0291","","","0.0748","0.0762","","","","","","1.048","","","","has coordinates","141357","2020-10-21","18:00:00",""
"4123824","12.5215","0.0003","13.1868","0.0003","14.6751","0.0003","88.51","0.001","65.856","0.001","61.762","0.001","1905.24","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H51 Co N5 -","- C41 H51 Co N5 -","- C82 H102 Co2 N10 -","2","1","","Schmidt, Valerie A.; Hoyt, Jordan M.; Margulieux, Grant W.; Chirik, Paul J.","Cobalt-Catalyzed [2π + 2π] Cycloadditions of Alkenes: Scope, Mechanism, and Elucidation of Electronic Structure of Catalytic Intermediates.","Journal of the American Chemical Society","2015","137","24","7903","7914","10.1021/jacs.5b04034","","","1.54178","CuKα","","0.0517","0.0489","","","0.1293","0.1314","","","","","","1.103","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123825","16.1752","0.0005","15.4059","0.0005","17.8232","0.0005","90","","100.562","0.002","90","","4366.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H55 Co N6 -","- C41 H55 Co N6 -","- C164 H220 Co4 N24 -","4","1","","Schmidt, Valerie A.; Hoyt, Jordan M.; Margulieux, Grant W.; Chirik, Paul J.","Cobalt-Catalyzed [2π + 2π] Cycloadditions of Alkenes: Scope, Mechanism, and Elucidation of Electronic Structure of Catalytic Intermediates.","Journal of the American Chemical Society","2015","137","24","7903","7914","10.1021/jacs.5b04034","","","1.54178","CuKα","","0.077","0.0646","","","0.1388","0.1485","","","","","","1.104","","","","has coordinates","141357","2020-10-21","18:00:00",""
"4123826","10.5018","0.0005","11.2362","0.0005","13.3464","0.0006","90","","103.031","0.001","90","","1534.32","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 Au2 Cl2 O P2 -","- C8 H20 Au2 Cl2 O P2 -","- C32 H80 Au8 Cl8 O4 P8 -","4","1","","Cano, Israel; Huertos, Miguel A.; Chapman, Andrew M.; Buntkowsky, Gerd; Gutmann, Torsten; Groszewicz, Pedro B.; van Leeuwen, Piet W. N. M.","Air-Stable Gold Nanoparticles Ligated by Secondary Phosphine Oxides as Catalyst for the Chemoselective Hydrogenation of Substituted Aldehydes: a Remarkable Ligand Effect.","Journal of the American Chemical Society","2015","137","24","7718","7727","10.1021/jacs.5b02802","","","0.71073","MoKα","","0.0331","0.0245","","","0.0492","0.0517","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123827","5.3403","0.0001","12.4724","0.0002","17.188","0.0003","90","","91.564","0.002","90","","1144.4","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H21 Cl3 N2 O5 S -","- C19 H21 Cl3 N2 O5 S -","- C38 H42 Cl6 N4 O10 S2 -","2","1","","Wang, Gang; Franke, Jana; Ngo, Chinh Q.; Krische, Michael J.","Diastereo- and Enantioselective Iridium Catalyzed Coupling of Vinyl Aziridines with Alcohols: Site-Selective Modification of Unprotected Diols and Synthesis of Substituted Piperidines.","Journal of the American Chemical Society","2015","137","24","7915","7920","10.1021/jacs.5b04404","","","1.54184","CuKα","","0.04","0.0388","","","0.1025","0.104","","","","","","1.023","","","","has coordinates,has disorder","140122","2020-10-21","18:00:00",""
"4123828","8.1064","0.0001","7.8428","0.0001","12.2165","0.0002","90","","100.67","0.002","90","","763.258","0.019","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 N2 O5 S -","- C14 H18 N2 O5 S -","- C28 H36 N4 O10 S2 -","2","1","","Wang, Gang; Franke, Jana; Ngo, Chinh Q.; Krische, Michael J.","Diastereo- and Enantioselective Iridium Catalyzed Coupling of Vinyl Aziridines with Alcohols: Site-Selective Modification of Unprotected Diols and Synthesis of Substituted Piperidines.","Journal of the American Chemical Society","2015","137","24","7915","7920","10.1021/jacs.5b04404","","","1.54184","CuKα","","0.0215","0.0214","","","0.0559","0.0561","","","","","","1.053","","","","has coordinates","140122","2020-10-21","18:00:00",""
"4123829","10.6155","0.0016","16.2","0.0019","18.744","0.003","77.434","0.009","78.685","0.01","76.387","0.009","3021.9","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","AMS2033","AMS2033","","- C61 H77 Cu2 D6 F3 N4 O3 S -","- C61 H77 Cu2 D6 F3 N4 O3 S -","- C122 H154 Cu4 D12 F6 N8 O6 S2 -","2","1","","Suess, Alison M.; Uehling, Mycah R.; Kaminsky, Werner; Lalic, Gojko","Mechanism of Copper-Catalyzed Hydroalkylation of Alkynes: An Unexpected Role of Dinuclear Copper Complexes.","Journal of the American Chemical Society","2015","137","24","7747","7753","10.1021/jacs.5b03086","","","0.71073","MoKα","","0.2103","0.088","","","0.1645","0.2076","","","","","","1.016","","","","has coordinates","140121","2020-10-21","18:00:00",""
"4123830","12.3797","0.0009","15.7949","0.001","34.928","0.003","90","","90","","90","","6829.7","0.9","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","mu_09_128","mu_09_128","","- C67 H91 Cl2 Cu2 F3 N4 O3 S -","- C67 H91 Cl2 Cu2 F3 N4 O3 S -","- C268 H364 Cl8 Cu8 F12 N16 O12 S4 -","4","1","","Suess, Alison M.; Uehling, Mycah R.; Kaminsky, Werner; Lalic, Gojko","Mechanism of Copper-Catalyzed Hydroalkylation of Alkynes: An Unexpected Role of Dinuclear Copper Complexes.","Journal of the American Chemical Society","2015","137","24","7747","7753","10.1021/jacs.5b03086","","","0.71073","MoKα","","0.0572","0.0461","","","0.1099","0.1164","","","","","","1.029","","","","has coordinates,has disorder","140121","2020-10-21","18:00:00",""
"4123831","10.2769","0.0009","15.7138","0.0013","10.6026","0.0009","90","","102.538","0.005","90","","1671.4","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","Mu_09_130","Mu_09_130_0ma","","- C38 H51 Cu N2 -","- C38 H51 Cu N2 -","- C76 H102 Cu2 N4 -","2","1","","Suess, Alison M.; Uehling, Mycah R.; Kaminsky, Werner; Lalic, Gojko","Mechanism of Copper-Catalyzed Hydroalkylation of Alkynes: An Unexpected Role of Dinuclear Copper Complexes.","Journal of the American Chemical Society","2015","137","24","7747","7753","10.1021/jacs.5b03086","","x-ray","0.71073","MoKα","","0.0444","0.0339","","","0.0656","0.0698","","","","","","1.043","","","","has coordinates","140121","2020-10-21","18:00:00",""
"4123832","10.375","0.0005","17.0501","0.0009","17.5973","0.0008","80.046","0.003","86.037","0.003","79.985","0.003","3016.8","0.3","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","AMS2069","AMS2069_0m","","- C61 H82 Cu2 F4 N4 O3 S -","- C61 H82 Cu2 F4 N4 O3 S -","- C122 H164 Cu4 F8 N8 O6 S2 -","2","1","","Suess, Alison M.; Uehling, Mycah R.; Kaminsky, Werner; Lalic, Gojko","Mechanism of Copper-Catalyzed Hydroalkylation of Alkynes: An Unexpected Role of Dinuclear Copper Complexes.","Journal of the American Chemical Society","2015","137","24","7747","7753","10.1021/jacs.5b03086","","x-ray","0.71073","MoKα","","0.0793","0.0454","","","0.102","0.1149","","","","","","1.029","","","","has coordinates,has disorder","140121","2020-10-21","18:00:00",""
"4123833","7.4262","0.0005","7.6495","0.0005","16.8263","0.0011","85.0988","0.0018","79.0498","0.0018","68.9663","0.0018","875.76","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H23 Au Cl N5 O3 -","- C14 H23 Au Cl N5 O3 -","- C28 H46 Au2 Cl2 N10 O6 -","2","1","","MacLeod, Michelle J.; Johnson, Jeremiah A.","PEGylated N-Heterocyclic Carbene Anchors Designed To Stabilize Gold Nanoparticles in Biologically Relevant Media.","Journal of the American Chemical Society","2015","137","25","7974","7977","10.1021/jacs.5b02452","","","0.71073","MoKα","","0.0254","0.022","","","0.0537","0.0551","","","","","","1.042","","","","has coordinates","140117","2020-10-21","18:00:00",""
"4123834","7.7356","0.0001","8.7328","0.0002","14.9794","0.0011","98.463","0.007","96.208","0.007","107.975","0.008","939.27","0.09","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 B F6 N6 Ni -","- C17 H15 B F6 N6 Ni -","- C34 H30 B2 F12 N12 Ni2 -","2","1","","Bour, James R.; Camasso, Nicole M.; Sanford, Melanie S.","Oxidation of Ni(II) to Ni(IV) with Aryl Electrophiles Enables Ni-Mediated Aryl-CF3 Coupling.","Journal of the American Chemical Society","2015","137","25","8034","8037","10.1021/jacs.5b04892","","","1.54178","CuKα","","0.0291","0.0283","","","0.0697","0.0702","","","","","","1.042","","","","has coordinates,has disorder","140119","2020-10-21","18:00:00",""
"4123835","15.962","0.0013","14.8361","0.0012","20.3317","0.0017","90","","94.782","0.002","90","","4798.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55 H68 O6 Si -","- C55 H68 O6 Si -","- C220 H272 O24 Si4 -","4","1","","Xu, Hao; Hu, Jiang-Lin; Wang, Lijia; Liao, Saihu; Tang, Yong","Asymmetric Annulation of Donor-Acceptor Cyclopropanes with Dienes.","Journal of the American Chemical Society","2015","137","25","8006","8009","10.1021/jacs.5b04429","","","0.71073","MoKα","","0.132","0.0793","","","0.2184","0.2583","","","","","","1.055","","","","has coordinates,has disorder","140113","2020-10-21","18:00:00",""
"4123836","12.6391","0.001","14.6059","0.0011","15.1308","0.0012","118.732","0.002","91.087","0.002","98.099","0.002","2412.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H70 O6 Si -","- C56 H70 O6 Si -","- C112 H140 O12 Si2 -","2","1","","Xu, Hao; Hu, Jiang-Lin; Wang, Lijia; Liao, Saihu; Tang, Yong","Asymmetric Annulation of Donor-Acceptor Cyclopropanes with Dienes.","Journal of the American Chemical Society","2015","137","25","8006","8009","10.1021/jacs.5b04429","","","0.71073","MoKα","","0.0906","0.0563","","","0.1384","0.1599","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123837","11.0266","0.0002","13.483","0.0002","11.3181","0.0002","90","","91.664","0.001","90","","1681.97","0.05","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H52 O6 -","- C40 H52 O6 -","- C80 H104 O12 -","2","1","","Xu, Hao; Hu, Jiang-Lin; Wang, Lijia; Liao, Saihu; Tang, Yong","Asymmetric Annulation of Donor-Acceptor Cyclopropanes with Dienes.","Journal of the American Chemical Society","2015","137","25","8006","8009","10.1021/jacs.5b04429","","","1.54178","CuKα","","0.0507","0.0499","","","0.1422","0.1439","","","","","","1.109","","","","has coordinates","140113","2020-10-21","18:00:00",""
"4123838","12.024","0.001","26.231","0.002","15.7584","0.0015","90","","94.182","0.002","90","","4957","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H67 O6 Si -","- C58 H67 O6 Si -","- C232 H268 O24 Si4 -","4","1","","Xu, Hao; Hu, Jiang-Lin; Wang, Lijia; Liao, Saihu; Tang, Yong","Asymmetric Annulation of Donor-Acceptor Cyclopropanes with Dienes.","Journal of the American Chemical Society","2015","137","25","8006","8009","10.1021/jacs.5b04429","","","0.71073","MoKα","","0.1246","0.0828","","","0.2309","0.2556","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123839","17.8087","0.0017","9.8394","0.001","23.122","0.002","90","","111.454","0.002","90","","3770.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H52 O5 Si -","- C43 H52 O5 Si -","- C172 H208 O20 Si4 -","4","1","","Xu, Hao; Hu, Jiang-Lin; Wang, Lijia; Liao, Saihu; Tang, Yong","Asymmetric Annulation of Donor-Acceptor Cyclopropanes with Dienes.","Journal of the American Chemical Society","2015","137","25","8006","8009","10.1021/jacs.5b04429","","","0.71073","MoKα","","0.1491","0.0847","","","0.212","0.2528","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123840","5.9718","0.0004","23.3972","0.0015","31.439","0.002","90","","90","","90","","4392.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 N2 O2 S -","- C25 H28 N2 O2 S -","- C200 H224 N16 O16 S8 -","8","2","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.061","0.054","","","0.1327","0.1375","","","","","","1.056","","","","has coordinates","140116","2020-10-21","18:00:00",""
"4123841","10.589","0.002","18.969","0.003","22.599","0.004","101.307","0.005","91.648","0.004","90.034","0.005","4449.3","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 N2 O2 S -","- C25 H28 N2 O2 S -","- C200 H224 N16 O16 S8 -","8","4","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.2413","0.141","","","0.3289","0.3833","","","","","","1.033","","","","has coordinates","140116","2020-10-21","18:00:00",""
"4123842","8.8426","0.0006","25.5012","0.0017","11.6106","0.0008","90","","106.505","0.001","90","","2510.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl N2 O3 Rh S -","- C26 H28 Cl N2 O3 Rh S -","- C104 H112 Cl4 N8 O12 Rh4 S4 -","4","1","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.0324","0.028","","","0.0722","0.075","","","","","","1.049","","","","has coordinates,has disorder","140116","2020-10-21","18:00:00",""
"4123843","13.253","0.0012","10.5434","0.0009","16.5128","0.0016","90","","106.525","0.002","90","","2212.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N2 O2 S -","- C25 H28 N2 O2 S -","- C100 H112 N8 O8 S4 -","4","1","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.0656","0.0494","","","0.1385","0.1515","","","","","","1.049","","","","has coordinates","140116","2020-10-21","18:00:00",""
"4123844","12.6929","0.0013","9.423","0.001","21.301","0.002","90","","97.139","0.003","90","","2528","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 N3 O3 S -","- C27 H33 N3 O3 S -","- C108 H132 N12 O12 S4 -","4","1","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.1409","0.0611","","","0.1262","0.1561","","","","","","0.965","","","","has coordinates","140116","2020-10-21","18:00:00",""
"4123845","18.6822","0.0018","8.2868","0.0008","12.9862","0.0013","90","","91.616","0.002","90","","2009.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 N2 O2 S -","- C21 H26 N2 O2 S -","- C84 H104 N8 O8 S4 -","4","1","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.0543","0.0432","","","0.1163","0.1262","","","","","","1.019","","","","has coordinates","140116","2020-10-21","18:00:00",""
"4123846","9.9288","0.0009","25.914","0.002","11.2914","0.0009","90","","115.624","0.002","90","","2619.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 N2 O3 S -","- C29 H34 N2 O3 S -","- C116 H136 N8 O12 S4 -","4","1","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.0782","0.0543","","","0.1376","0.1554","","","","","","1.026","","","","has coordinates,has disorder","140116","2020-10-21","18:00:00",""
"4123847","7.8485","0.0007","12.1086","0.001","13.3166","0.0012","79.414","0.002","88.737","0.002","81.606","0.002","1230.65","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N2 O2 S -","- C30 H30 N2 O2 S -","- C60 H60 N4 O4 S2 -","2","1","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.0526","0.0399","","","0.1071","0.1169","","","","","","1.018","","","","has coordinates","140116","2020-10-21","18:00:00",""
"4123848","8.2286","0.0004","15.3312","0.0006","10.0438","0.0004","90","","110.881","0.0018","90","","1183.86","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O2 S -","- C13 H15 N O2 S -","- C52 H60 N4 O8 S4 -","4","1","","Shaw, Megan H.; Croft, Rosemary A.; Whittingham, William G.; Bower, John F.","Modular Access to Substituted Azocanes via a Rhodium-Catalyzed Cycloaddition-Fragmentation Strategy.","Journal of the American Chemical Society","2015","137","25","8054","8057","10.1021/jacs.5b05215","","","0.71073","MoKα","","0.0303","0.028","","","0.0726","0.0742","","","","","","1.047","","","","has coordinates","140112","2020-10-21","18:00:00",""
"4123849","7.2575","0.0017","19.844","0.005","9.142","0.002","90","","99.336","0.005","90","","1299.2","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Cl2 N2 O8 Rh2 -","- C20 H30 Cl2 N2 O8 Rh2 -","- C40 H60 Cl4 N4 O16 Rh4 -","2","0.5","","Shaw, Megan H.; Croft, Rosemary A.; Whittingham, William G.; Bower, John F.","Modular Access to Substituted Azocanes via a Rhodium-Catalyzed Cycloaddition-Fragmentation Strategy.","Journal of the American Chemical Society","2015","137","25","8054","8057","10.1021/jacs.5b05215","","","1.54178","CuKα","","0.0362","0.0362","","","0.0937","0.0938","","","","","","1.115","","","","has coordinates","140112","2020-10-21","18:00:00",""
"4123850","8.9328","0.0003","13.8493","0.0004","12.2908","0.0003","90","","101.453","0.002","90","","1490.26","0.08","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","","Shaw, Megan H.; Croft, Rosemary A.; Whittingham, William G.; Bower, John F.","Modular Access to Substituted Azocanes via a Rhodium-Catalyzed Cycloaddition-Fragmentation Strategy.","Journal of the American Chemical Society","2015","137","25","8054","8057","10.1021/jacs.5b05215","","","0.71073","MoKα","","0.0535","0.0405","","","0.096","0.1029","","","","","","1.042","","","","has coordinates","140112","2020-10-21","18:00:00",""
"4123851","12.291","0.002","12.302","0.002","15.856","0.003","89.987","0.004","89.989","0.004","81.769","0.004","2372.8","0.7","173","","173","","","","","","","","","7","P 1","P 1","1","","","","- C52 H40 F6 Fe N4 O6 S2 -","- C52 H40 F6 Fe N4 O6 S2 -","- C104 H80 F12 Fe2 N8 O12 S4 -","2","2","","Nakatsuka, Hiroshi; Yamamura, Tomoya; Shuto, Yoshihiro; Tanaka, Shinji; Yoshimura, Masahiro; Kitamura, Masato","Mechanism of Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by a Combined System of Ru(π-CH2C(CH3)CH2)2(cod) and the Chiral sp(2)N/sp(3)NH Hybrid Linear N4 Ligand Ph-BINAN-H-Py.","Journal of the American Chemical Society","2015","137","25","8138","8149","10.1021/jacs.5b02350","","","0.7107","MoKα","","","0.029","","","","0.028","","","","","","2.749","","","","has coordinates","140118","2020-10-21","18:00:00",""
"4123852","14.662","0.002","19.556","0.003","16.74","0.003","90","","92.645","0.002","90","","4794.7","1.3","173.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H44 Cu F6 N4 O7 S2 -","- C50 H44 Cu F6 N4 O7 S2 -","- C200 H176 Cu4 F24 N16 O28 S8 -","4","2","","Nakatsuka, Hiroshi; Yamamura, Tomoya; Shuto, Yoshihiro; Tanaka, Shinji; Yoshimura, Masahiro; Kitamura, Masato","Mechanism of Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by a Combined System of Ru(π-CH2C(CH3)CH2)2(cod) and the Chiral sp(2)N/sp(3)NH Hybrid Linear N4 Ligand Ph-BINAN-H-Py.","Journal of the American Chemical Society","2015","137","25","8138","8149","10.1021/jacs.5b02350","","","0.7107","MoKα","","","0.0832","","","","0.0663","","","","","","1.353","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123853","13.543","0.003","15.836","0.003","21.53","0.004","90","","90","","90","","4617.5","1.6","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H37 F6 Mn N5 O6 S2 -","- C48 H37 F6 Mn N5 O6 S2 -","- C192 H148 F24 Mn4 N20 O24 S8 -","4","1","","Nakatsuka, Hiroshi; Yamamura, Tomoya; Shuto, Yoshihiro; Tanaka, Shinji; Yoshimura, Masahiro; Kitamura, Masato","Mechanism of Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by a Combined System of Ru(π-CH2C(CH3)CH2)2(cod) and the Chiral sp(2)N/sp(3)NH Hybrid Linear N4 Ligand Ph-BINAN-H-Py.","Journal of the American Chemical Society","2015","137","25","8138","8149","10.1021/jacs.5b02350","","","0.7107","MoKα","","","0.033","","","","0.03","","","","","","3.618","","","","has coordinates","140118","2020-10-21","18:00:00",""
"4123854","12.856","0.019","12.866","0.018","15.7","0.03","90","","108.793","0.017","90","","2458","7","113","","113","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H40 N4 O4 Ru -","- C48 H40 N4 O4 Ru -","- C96 H80 N8 O8 Ru2 -","2","1","","Nakatsuka, Hiroshi; Yamamura, Tomoya; Shuto, Yoshihiro; Tanaka, Shinji; Yoshimura, Masahiro; Kitamura, Masato","Mechanism of Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by a Combined System of Ru(π-CH2C(CH3)CH2)2(cod) and the Chiral sp(2)N/sp(3)NH Hybrid Linear N4 Ligand Ph-BINAN-H-Py.","Journal of the American Chemical Society","2015","137","25","8138","8149","10.1021/jacs.5b02350","","","0.71075","MoKα","","","0.213","","","","0.5208","","","","","","1.859","","","","has coordinates","140118","2020-10-21","18:00:00",""
"4123855","11.0292","0.0014","11.0292","0.0014","40.254","0.005","90","","90","","90","","4896.6","1.1","93.1","","","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C52 H48 F12 N6 O P2 Ru -","- C52 H49 F12 N6 O P2 Ru -","- C208 H196 F48 N24 O4 P8 Ru4 -","4","0.5","","Nakatsuka, Hiroshi; Yamamura, Tomoya; Shuto, Yoshihiro; Tanaka, Shinji; Yoshimura, Masahiro; Kitamura, Masato","Mechanism of Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by a Combined System of Ru(π-CH2C(CH3)CH2)2(cod) and the Chiral sp(2)N/sp(3)NH Hybrid Linear N4 Ligand Ph-BINAN-H-Py.","Journal of the American Chemical Society","2015","137","25","8138","8149","10.1021/jacs.5b02350","","","0.7107","MoKα","","","0.0443","","","","0.0584","","","","","","1.009","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123856","9.6882","0.0003","13.0841","0.0003","21.5222","0.0003","90","","90","","90","","2728.18","0.11","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 Cl2 Co F3 N5 P2 -","- C22 H34 Cl2 Co F3 N5 P2 -","- C88 H136 Cl8 Co4 F12 N20 P8 -","4","1","","Rösler, Sina; Obenauf, Johannes; Kempe, Rhett","A Highly Active and Easily Accessible Cobalt Catalyst for Selective Hydrogenation of C═O Bonds.","Journal of the American Chemical Society","2015","137","25","7998","8001","10.1021/jacs.5b04349","","","0.71073","MoKα","","0.0451","0.036","","","0.0694","0.0714","","","","","","0.981","","","","has coordinates","141355","2020-10-21","18:00:00",""
"4123857","10.2011","0.0004","12.1886","0.0004","20.9518","0.0008","90","","90","","90","","2605.09","0.17","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H35 Cl2 Co N5 P2 -","- C21 H35 Cl2 Co N5 P2 -","- C84 H140 Cl8 Co4 N20 P8 -","4","1","","Rösler, Sina; Obenauf, Johannes; Kempe, Rhett","A Highly Active and Easily Accessible Cobalt Catalyst for Selective Hydrogenation of C═O Bonds.","Journal of the American Chemical Society","2015","137","25","7998","8001","10.1021/jacs.5b04349","","","0.71069","MoKα","","0.062","0.0524","","","0.1086","0.1117","","","","","","0.988","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123858","9.3814","0.0002","13.5379","0.0003","21.3231","0.0006","90","","90","","90","","2708.13","0.11","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H41 Cl2 Co N5 O P2 -","- C20 H41 Cl2 Co N5 O P2 -","- C80 H164 Cl8 Co4 N20 O4 P8 -","4","1","","Rösler, Sina; Obenauf, Johannes; Kempe, Rhett","A Highly Active and Easily Accessible Cobalt Catalyst for Selective Hydrogenation of C═O Bonds.","Journal of the American Chemical Society","2015","137","25","7998","8001","10.1021/jacs.5b04349","","","0.71073","MoKα","","0.0715","0.0501","","","0.1133","0.1211","","","","","","0.958","","","","has coordinates","141355","2020-10-21","18:00:00",""
"4123859","12.2051","0.0005","12.7514","0.0006","19.5704","0.0008","90","","90","","90","","3045.8","0.2","133","2","133","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C32 H31 Cl2 Co N3 O P2 -","- C32 H31 Cl2 Co N3 O P2 -","- C128 H124 Cl8 Co4 N12 O4 P8 -","4","1","","Rösler, Sina; Obenauf, Johannes; Kempe, Rhett","A Highly Active and Easily Accessible Cobalt Catalyst for Selective Hydrogenation of C═O Bonds.","Journal of the American Chemical Society","2015","137","25","7998","8001","10.1021/jacs.5b04349","","","0.71073","MoKα","","0.0894","0.0565","","","0.0876","0.0949","","","","","","0.917","","","","has coordinates","141355","2020-10-21","18:00:00",""
"4123860","16.1656","0.0009","15.8476","0.0006","17.5006","0.0009","90","","116.713","0.004","90","","4004.9","0.4","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 Co N7 P2 -","- C26 H39 Co N7 P2 -","- C104 H156 Co4 N28 P8 -","4","1","","Rösler, Sina; Obenauf, Johannes; Kempe, Rhett","A Highly Active and Easily Accessible Cobalt Catalyst for Selective Hydrogenation of C═O Bonds.","Journal of the American Chemical Society","2015","137","25","7998","8001","10.1021/jacs.5b04349","","","0.71069","MoKα","","0.089","0.0615","","","0.163","0.1733","","","","","","1.054","","","","has coordinates","141355","2020-10-21","18:00:00",""
"4123861","10.997","0.002","11.726","0.002","24.103","0.005","100.01","0.03","92.79","0.03","100.5","0.03","2999.2","1.1","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C59 H87 B Cu2 F3 N9 O5 S -","- C59 H87 B Cu2 F3 N9 O5 S -","- C118 H174 B2 Cu4 F6 N18 O10 S2 -","2","1","","Kindermann, Nicole; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Proton-Induced, Reversible Interconversion of a μ-1,2-Peroxo and a μ-1,1-Hydroperoxo Dicopper(II) Complex.","Journal of the American Chemical Society","2015","137","25","8002","8005","10.1021/jacs.5b04361","","","0.71073","MoKα","","0.0835","0.0481","","","0.0843","0.0929","","","","","","0.977","","","","has coordinates,has disorder","141356","2020-10-21","18:00:00",""
"4123862","8.837","0.003","9.595","0.003","16.405","0.006","90","","90","","90","","1391","0.8","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aS*,7R*,8aS*)-ethyl 4a-hydroxy-7-methoxycarboxy-4a,7,8,8a-tetrahydro- 4H-benzo[e][1,2]oxazine-3-carboxylate","","- C13 H17 N O7 -","- C13 H17 N O7 -","- C52 H68 N4 O28 -","4","1","","Mfuh, Adelphe M.; Zhang, Yu; Stephens, David E.; Vo, Anh X. T.; Arman, Hadi D.; Larionov, Oleg V.","Concise Total Synthesis of Trichodermamides A, B, and C Enabled by an Efficient Construction of the 1,2-Oxazadecaline Core.","Journal of the American Chemical Society","2015","137","25","8050","8053","10.1021/jacs.5b05205","","","0.71073","MoKα","","0.0704","0.0671","","","0.1287","0.1314","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123863","23.444","0.005","6.9509","0.0014","17.543","0.004","90","","127.51","0.03","90","","2267.7","1.2","98","","98","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C96 H104 N8 O32 -","8","1","","Mfuh, Adelphe M.; Zhang, Yu; Stephens, David E.; Vo, Anh X. T.; Arman, Hadi D.; Larionov, Oleg V.","Concise Total Synthesis of Trichodermamides A, B, and C Enabled by an Efficient Construction of the 1,2-Oxazadecaline Core.","Journal of the American Chemical Society","2015","137","25","8050","8053","10.1021/jacs.5b05205","","","0.71073","MoKα","","0.0604","0.0411","","","0.1077","0.1191","","","","","","1.056","","","","has coordinates","140114","2020-10-21","18:00:00",""
"4123864","8.7284","0.0013","7.918","0.0012","14.286","0.002","90","","93.316","0.003","90","","985.7","0.3","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C44 H44 N4 O16 -","4","1","","Mfuh, Adelphe M.; Zhang, Yu; Stephens, David E.; Vo, Anh X. T.; Arman, Hadi D.; Larionov, Oleg V.","Concise Total Synthesis of Trichodermamides A, B, and C Enabled by an Efficient Construction of the 1,2-Oxazadecaline Core.","Journal of the American Chemical Society","2015","137","25","8050","8053","10.1021/jacs.5b05205","","","0.71073","MoKα","","0.0461","0.0433","","","0.1082","0.1105","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123865","7.1816","0.0011","11.0851","0.0015","21.848","0.003","90","","90","","90","","1739.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Br2 N3 O2 -","- C19 H15 Br2 N3 O2 -","- C76 H60 Br8 N12 O8 -","4","1","","Zhu, Rong; Buchwald, Stephen L.","Versatile Enantioselective Synthesis of Functionalized Lactones via Copper-Catalyzed Radical Oxyfunctionalization of Alkenes.","Journal of the American Chemical Society","2015","137","25","8069","8077","10.1021/jacs.5b04821","","","0.71073","MoKα","","0.0428","0.0326","","","0.0653","0.0683","","","","","","1.028","","","","has coordinates","140115","2020-10-21","18:00:00",""
"4123866","10.2242","0.0003","24.0986","0.0008","24.7021","0.0008","90","","100.633","0.001","90","","5981.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Complex_8","","","- C58 H75 B2 F12 Ir N2 O7 Si -","- C58 H75 B2 F12 Ir N2 O7 Si -","- C232 H300 B8 F48 Ir4 N8 O28 Si4 -","4","1","","Larsen, Matthew A.; Wilson, Conner V.; Hartwig, John F.","Iridium-Catalyzed Borylation of Primary Benzylic C-H Bonds without a Directing Group: Scope, Mechanism, and Origins of Selectivity.","Journal of the American Chemical Society","2015","137","26","8633","8643","10.1021/jacs.5b04899","","","0.71073","MoKα","","0.0624","0.0479","","","0.1162","0.1243","","","","","","1.022","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123867","14.6296","0.0008","15.6188","0.0009","19.3733","0.001","112.514","0.003","91.809","0.003","96.229","0.003","4052.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Complex_3","","","- C82 H70 Cl2 F24 Ir2 N4 Si2 -","- C82 H70 Cl2 F24 Ir2 N4 Si2 -","- C164 H140 Cl4 F48 Ir4 N8 Si4 -","2","1","","Larsen, Matthew A.; Wilson, Conner V.; Hartwig, John F.","Iridium-Catalyzed Borylation of Primary Benzylic C-H Bonds without a Directing Group: Scope, Mechanism, and Origins of Selectivity.","Journal of the American Chemical Society","2015","137","26","8633","8643","10.1021/jacs.5b04899","","","0.71073","MoKα","","0.0604","0.0472","","","0.124","0.1369","","","","","","1.035","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123868","42.16895","0.00009","42.16895","0.00009","42.16895","0.00009","90","","90","","90","","74985.7","0.3","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C276 H228 Cl12 Eu4 N36 O80 -","- C276 H228 Cl12 Eu4 N36 O80 -","- C2208 H1824 Cl96 Eu32 N288 O640 -","8","0.666667","","Yan, Liang-Liang; Tan, Chun-Hong; Zhang, Guang-Lu; Zhou, Li-Peng; Bünzli, Jean-Claude; Sun, Qing-Fu","Stereocontrolled Self-Assembly and Self-Sorting of Luminescent Europium Tetrahedral Cages.","Journal of the American Chemical Society","2015","137","26","8550","8555","10.1021/jacs.5b03972","","x-ray","1.54184","CuKα","","0.2393","0.1309","","","0.3248","0.4183","","","","","","1.038","","","","has coordinates","154633","2020-10-21","18:00:00",""
"4123869","8.2548","0.0003","10.0794","0.0002","10.0211","0.0003","90","","110.128","0.004","90","","782.87","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C38 H44 O4 -","2","1","","Yang, Bin-Miao; Cai, Pei-Jun; Tu, Yong-Qiang; Yu, Zhi-Xiang; Chen, Zhi-Min; Wang, Shuang-Hu; Wang, Shao-Hua; Zhang, Fu-Min","Organocatalytic Asymmetric Tandem Nazarov Cyclization/Semipinacol Rearrangement: Rapid Construction of Chiral Spiro[4.4]nonane-1,6-diones.","Journal of the American Chemical Society","2015","137","26","8344","8347","10.1021/jacs.5b04049","","","1.54184","CuKα","","0.0379","0.0374","","","0.1035","0.1045","","","","","","1.051","","","","has coordinates,has disorder","152839","2020-10-21","18:00:00",""
"4123870","12.6183","0.0006","11.014","0.0005","10.1521","0.0004","90","","90","","90","","1410.92","0.11","294.53","0.1","294.53","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Cl O2 -","- C16 H17 Cl O2 -","- C64 H68 Cl4 O8 -","4","1","","Yang, Bin-Miao; Cai, Pei-Jun; Tu, Yong-Qiang; Yu, Zhi-Xiang; Chen, Zhi-Min; Wang, Shuang-Hu; Wang, Shao-Hua; Zhang, Fu-Min","Organocatalytic Asymmetric Tandem Nazarov Cyclization/Semipinacol Rearrangement: Rapid Construction of Chiral Spiro[4.4]nonane-1,6-diones.","Journal of the American Chemical Society","2015","137","26","8344","8347","10.1021/jacs.5b04049","","","1.54184","CuKα","","0.0427","0.0405","","","0.107","0.1095","","","","","","1.044","","","","has coordinates,has disorder","152839","2020-10-21","18:00:00",""
"4123871","11.4872","0.0008","10.2566","0.0005","13.2057","0.0009","90","","112.74","0.008","90","","1434.95","0.18","294.39","0.1","294.39","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H40 O4 -","- C36 H40 O4 -","- C72 H80 O8 -","2","1","","Yang, Bin-Miao; Cai, Pei-Jun; Tu, Yong-Qiang; Yu, Zhi-Xiang; Chen, Zhi-Min; Wang, Shuang-Hu; Wang, Shao-Hua; Zhang, Fu-Min","Organocatalytic Asymmetric Tandem Nazarov Cyclization/Semipinacol Rearrangement: Rapid Construction of Chiral Spiro[4.4]nonane-1,6-diones.","Journal of the American Chemical Society","2015","137","26","8344","8347","10.1021/jacs.5b04049","","","1.54184","CuKα","","0.0829","0.0818","","","0.2257","0.2277","","","","","","1.054","","","","has coordinates,has disorder","152839","2020-10-21","18:00:00",""
"4123872","17.401","0.003","8.647","0.0017","9.4509","0.0018","90","","100.955","0.003","90","","1396.1","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl N O -","- C14 H18 Cl N O -","- C56 H72 Cl4 N4 O4 -","4","1","","Shin, Kwangmin; Park, Sung-Woo; Chang, Sukbok","Cp*Ir(III)-Catalyzed Mild and Broad C-H Arylation of Arenes and Alkenes with Aryldiazonium Salts Leading to the External Oxidant-Free Approach.","Journal of the American Chemical Society","2015","137","26","8584","8592","10.1021/jacs.5b04043","","","0.71073","MoKα","","0.0477","0.0351","","","0.0826","0.0891","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123873","11.3407","0.0006","15.3465","0.0007","14.0104","0.0007","90","","99.774","0.002","90","","2403","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 F3 Ir N O3 -","- C23 H29 F3 Ir N O3 -","- C92 H116 F12 Ir4 N4 O12 -","4","1","","Shin, Kwangmin; Park, Sung-Woo; Chang, Sukbok","Cp*Ir(III)-Catalyzed Mild and Broad C-H Arylation of Arenes and Alkenes with Aryldiazonium Salts Leading to the External Oxidant-Free Approach.","Journal of the American Chemical Society","2015","137","26","8584","8592","10.1021/jacs.5b04043","","","0.71073","MoKα","","0.0519","0.0307","","","0.0663","0.0791","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123874","35.4963","0.0014","5.832","0.0002","16.0912","0.0006","90","","90","","90","","3331.1","0.2","296","2","296","2","","","","","","","","3","F m m 2","F 2 -2","42","","","","- Cl18 O8 Pb17 -","- Cl18 O8 Pb17 -","- Cl54 O24 Pb51 -","3","0.1875","","Zhang, Hui; Zhang, Min; Pan, Shilie; Dong, Xiaoyu; Yang, Zhihua; Hou, Xueling; Wang, Zheng; Chang, Kelvin B.; Poeppelmeier, Kenneth R.","Pb17O8Cl18: A Promising IR Nonlinear Optical Material with Large Laser Damage Threshold Synthesized in an Open System.","Journal of the American Chemical Society","2015","137","26","8360","8363","10.1021/jacs.5b03986","","","0.71073","MoKα","","0.0711","0.0557","","","0.1309","0.1396","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123875","12.6746","0.0008","8.2695","0.0005","15.8278","0.001","90","","95.997","0.002","90","","1649.87","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","VL-PICTET","sarpong104","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","1","","Lindsay, Vincent N. G.; Viart, Hélène M-F; Sarpong, Richmond","Stereodivergent Intramolecular C(sp(3))-H Functionalization of Azavinyl Carbenes: Synthesis of Saturated Heterocycles and Fused N-Heterotricycles.","Journal of the American Chemical Society","2015","137","26","8368","8371","10.1021/jacs.5b04295","","","1.54178","CuKα","","0.0361","0.0348","","","0.0948","0.096","","","","","","1.044","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123876","9.5558","0.0008","16.3412","0.0013","20.4336","0.0016","90","","90","","90","","3190.8","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","VLIII-051B1","sarpong105","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C144 H152 N8 O24 S8 -","8","1","","Lindsay, Vincent N. G.; Viart, Hélène M-F; Sarpong, Richmond","Stereodivergent Intramolecular C(sp(3))-H Functionalization of Azavinyl Carbenes: Synthesis of Saturated Heterocycles and Fused N-Heterotricycles.","Journal of the American Chemical Society","2015","137","26","8368","8371","10.1021/jacs.5b04295","","","0.71073","MoKα","","0.0446","0.0413","","","0.0957","0.0979","","","","","","1.2","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123877","8.6569","0.0003","11.5892","0.0004","17.4244","0.0007","90","","99.303","0.002","90","","1725.14","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","VLII-193","sarpong91","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C72 H84 N4 O12 S4 -","4","1","","Lindsay, Vincent N. G.; Viart, Hélène M-F; Sarpong, Richmond","Stereodivergent Intramolecular C(sp(3))-H Functionalization of Azavinyl Carbenes: Synthesis of Saturated Heterocycles and Fused N-Heterotricycles.","Journal of the American Chemical Society","2015","137","26","8368","8371","10.1021/jacs.5b04295","","","1.54178","CuKα","","0.0648","0.0589","","","0.1231","0.1272","","","","","","1.146","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4123878","14.216","0.003","16.76","0.004","26.884","0.006","90","","102.357","0.003","90","","6257","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H88 N4 O8 Si2 -","- C63 H88 N4 O8 Si2 -","- C252 H352 N16 O32 Si8 -","4","1","","Wang, Yuzhong; Chen, Mingwei; Xie, Yaoming; Wei, Pingrong; Schaefer, 3rd, Henry F; Robinson, Gregory H.","Stabilization of Silicon-Carbon Mixed Oxides.","Journal of the American Chemical Society","2015","137","26","8396","8399","10.1021/jacs.5b05202","","","0.71073","MoKα","","0.1632","0.0756","","","0.1582","0.2006","","","","","","1.008","","","","has coordinates","154634","2020-10-21","18:00:00",""
"4123879","9.4514","0.0015","26.119","0.004","17.888","0.003","90","","91.104","0.008","90","","4415","1.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H76 Cl2 N2 O8 Ru -","- C30 H28 Cl2 N2 O2 Ru -","- C120 H112 Cl8 N8 O8 Ru4 -","4","1","","Machan, Charles W.; Sampson, Matthew D.; Kubiak, Clifford P.","A Molecular Ruthenium Electrocatalyst for the Reduction of Carbon Dioxide to CO and Formate.","Journal of the American Chemical Society","2015","137","26","8564","8571","10.1021/jacs.5b03913","","x-ray","0.71073","MoKα","","0.0571","0.0476","","","0.1222","0.1284","","","","","","1.056","","","","has coordinates","171425","2020-10-21","18:00:00",""
"4123880","28.3226","0.0015","33.5643","0.0015","21.4252","0.0009","90","","100.806","0.002","90","","20006.2","1.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C116 H112 Ir N10 O8 -","- C116 H112 Ir N10 O8 -","- C928 H896 Ir8 N80 O64 -","8","1","","Klein, Johannes H.; Schmidt, David; Steiner, Ulrich E.; Lambert, Christoph","Complete Monitoring of Coherent and Incoherent Spin Flip Domains in the Recombination of Charge-Separated States of Donor-Iridium Complex-Acceptor Triads.","Journal of the American Chemical Society","2015","137","34","11011","11021","10.1021/jacs.5b04868","","","1.54178","CuKα","","0.1136","0.0615","","","0.1276","0.1495","","","","","","1.017","","","","has coordinates,has disorder","154646","2020-10-21","18:00:00",""
"4123881","43.248","0.009","12.198","0.002","29.37","0.006","90","","101.13","0.03","90","","15202","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- F12 K18 Mn2 Na2 O150 W34 -","- F12 K18 Mn2 Na2 O150 W34 -","- F48 K72 Mn8 Na8 O600 W136 -","4","0.5","","Schreiber, Roy E.; Cohen, Hagai; Leitus, Gregory; Wolf, Sharon G.; Zhou, Ang; Que, Jr, Lawrence; Neumann, Ronny","Reactivity and O2 Formation by Mn(IV)- and Mn(V)-Hydroxo Species Stabilized within a Polyfluoroxometalate Framework.","Journal of the American Chemical Society","2015","137","27","8738","8748","10.1021/jacs.5b03456","","","0.71073","MoKα","","0.0861","0.0572","","","0.1347","0.1555","","","","","","1.093","","","","has coordinates,has disorder","152844","2020-10-21","18:00:00",""
"4123882","22.604","0.005","12.289","0.003","29.349","0.006","90","","92.4","0.03","90","","8145","3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- F6 K9 Mn Na O71 W17 -","- F6 K9 Mn Na O71 W17 -","- F24 K36 Mn4 Na4 O284 W68 -","4","0.5","","Schreiber, Roy E.; Cohen, Hagai; Leitus, Gregory; Wolf, Sharon G.; Zhou, Ang; Que, Jr, Lawrence; Neumann, Ronny","Reactivity and O2 Formation by Mn(IV)- and Mn(V)-Hydroxo Species Stabilized within a Polyfluoroxometalate Framework.","Journal of the American Chemical Society","2015","137","27","8738","8748","10.1021/jacs.5b03456","","","0.71073","MoKα","","0.059","0.0506","","","0.1302","0.1341","","","","","","1.084","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123883","12.2907","0.0007","12.8548","0.0007","29.2936","0.0016","87.98","0.002","90.005","0.002","61.462","0.002","4062.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- F6 H26 K8 Mn Na O69 W17 -","- F6 K8 Mn0.999 Na O69 W17.001 -","- F12 K16 Mn1.998 Na2 O138 W34.002 -","2","1","","Schreiber, Roy E.; Cohen, Hagai; Leitus, Gregory; Wolf, Sharon G.; Zhou, Ang; Que, Jr, Lawrence; Neumann, Ronny","Reactivity and O2 Formation by Mn(IV)- and Mn(V)-Hydroxo Species Stabilized within a Polyfluoroxometalate Framework.","Journal of the American Chemical Society","2015","137","27","8738","8748","10.1021/jacs.5b03456","","","0.71073","MoKα","","0.0789","0.0577","","","0.1438","0.1576","","","","","","1.031","","","","has coordinates,has disorder","152844","2020-10-21","18:00:00",""
"4123884","12.2185","0.0013","12.8189","0.0013","13.534","0.0015","104.662","0.005","90.032","0.005","118.35","0.005","1786.6","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- F6 K8 Mn Na O76 W17 -","- F6 K8 Mn0.999 Na O76 W17.001 -","- F6 K8 Mn0.999 Na O76 W17.001 -","1","1","","Schreiber, Roy E.; Cohen, Hagai; Leitus, Gregory; Wolf, Sharon G.; Zhou, Ang; Que, Jr, Lawrence; Neumann, Ronny","Reactivity and O2 Formation by Mn(IV)- and Mn(V)-Hydroxo Species Stabilized within a Polyfluoroxometalate Framework.","Journal of the American Chemical Society","2015","137","27","8738","8748","10.1021/jacs.5b03456","","","0.71073","MoKα","","0.0373","0.0359","","","0.0875","0.0884","","","","","","1.047","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123885","12.3841","0.0009","10.5701","0.0012","11.6763","0.0013","90","","90","","90","","1528.4","0.3","","","","","","","","","","","dichloromethane","5","P n m a","-P 2ac 2n","62","","Title","","- C12 H20 Br N3 S -","- C12 H20 Br N3 S -","- C48 H80 Br4 N12 S4 -","4","0.5","","Talavera, Garazi; Peña, Javier; Alcarazo, Manuel","Dihalo(imidazolium)sulfuranes: A Versatile Platform for the Synthesis of New Electrophilic Group-Transfer Reagents.","Journal of the American Chemical Society","2015","137","27","8704","8707","10.1021/jacs.5b05287","","","","","","0.0389","0.0311","","","0.0754","0.0794","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123886","19.351","0.003","7.2231","0.0014","19.351","0.003","90","","110.331","0.014","90","","2536.3","0.8","","","","","","","","","","","tetrahydrofuran,dichloromethane","4","P 1 21/n 1","-P 2yn","14","","Title","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","2","","Talavera, Garazi; Peña, Javier; Alcarazo, Manuel","Dihalo(imidazolium)sulfuranes: A Versatile Platform for the Synthesis of New Electrophilic Group-Transfer Reagents.","Journal of the American Chemical Society","2015","137","27","8704","8707","10.1021/jacs.5b05287","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123887","10.9428","0.0007","12.0932","0.0009","11.9149","0.0013","90","","110.582","0.008","90","","1476.1","0.2","100","","100","","","","","","","","dichloromethane","5","C 1 2/c 1","-C 2yc","15","","Title","","- C11 H20 Br2 N2 S -","- C11 H20 Br2 N2 S -","- C44 H80 Br8 N8 S4 -","4","0.5","","Talavera, Garazi; Peña, Javier; Alcarazo, Manuel","Dihalo(imidazolium)sulfuranes: A Versatile Platform for the Synthesis of New Electrophilic Group-Transfer Reagents.","Journal of the American Chemical Society","2015","137","27","8704","8707","10.1021/jacs.5b05287","","","0.71073","MoKα","","0.0367","0.0286","","","0.069","0.0731","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123888","10.8037","0.0009","9.0136","0.0005","17.8195","0.0014","90","","92.334","0.008","90","","1733.8","0.2","","","","","","","","","","","acetonitrile,diethylether","6","P 1 21/n 1","-P 2yn","14","","Title","","- C12 H20 F6 N3 S Sb -","- C12 H20 F6 N3 S Sb -","- C48 H80 F24 N12 S4 Sb4 -","4","1","","Talavera, Garazi; Peña, Javier; Alcarazo, Manuel","Dihalo(imidazolium)sulfuranes: A Versatile Platform for the Synthesis of New Electrophilic Group-Transfer Reagents.","Journal of the American Chemical Society","2015","137","27","8704","8707","10.1021/jacs.5b05287","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123889","9.0118","0.0003","9.0638","0.0003","26.0781","0.0008","90","","90","","90","","2130.09","0.12","","","","","","","","","","","dichlormethane","7","P 21 21 21","P 2ac 2ab","19","","Title","","- C16 H25 F6 N2 O2 S Sb -","- C16 H25 F6 N2 O2 S Sb -","- C64 H100 F24 N8 O8 S4 Sb4 -","4","1","","Talavera, Garazi; Peña, Javier; Alcarazo, Manuel","Dihalo(imidazolium)sulfuranes: A Versatile Platform for the Synthesis of New Electrophilic Group-Transfer Reagents.","Journal of the American Chemical Society","2015","137","27","8704","8707","10.1021/jacs.5b05287","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123890","21.6737","0.0002","21.6737","0.0002","9.6282","0.0002","90","","90","","90","","4522.84","0.11","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.0274","0.023","","","0.0897","0.096","","","","","","0.841","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123891","21.708","0.0016","21.708","0.0016","9.636","0.002","90","","90","","90","","4540.8","1.1","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.2611","0.2243","","","0.5596","0.5753","","","","","","1.164","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123892","21.8286","0.0001","21.8286","0.0001","9.636","0.0001","90","","90","","90","","4591.44","0.06","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.0266","0.0236","","","0.1019","0.105","","","","","","0.952","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123893","7.0153","0.0003","11.933","0.0005","17.6064","0.0008","90","","90","","90","","1473.89","0.11","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O6 -","- C16 H20 O6 -","- C64 H80 O24 -","4","1","","Dao, Hai T.; Li, Chao; Michaudel, Quentin; Maxwell, Brad D.; Baran, Phil S.","Hydromethylation of Unactivated Olefins.","Journal of the American Chemical Society","2015","137","25","8046","8049","10.1021/jacs.5b05144","","x-ray","1.54178","CuKα","","0.0282","0.0281","","","0.0735","0.0736","","","","","","1.081","","","","has coordinates","140009","2020-10-21","18:00:00",""
"4123894","12.1939","0.0008","14.0887","0.0009","13.9512","0.0013","90","","104.752","0.008","90","","2317.8","0.3","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 F N3 O3 -","- C26 H24 F N3 O3 -","- C104 H96 F4 N12 O12 -","4","2","","Zhang, Qi; Yin, Xue-Song; Chen, Kai; Zhang, Shuo-Qing; Shi, Bing-Feng","Stereoselective Synthesis of Chiral β-Fluoro α-Amino Acids via Pd(II)-Catalyzed Fluorination of Unactivated Methylene C(sp(3))-H Bonds: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","25","8219","8226","10.1021/jacs.5b03989","","","0.71073","MoKα","","0.0703","0.0431","","","0.0929","0.1064","","","","","","1.004","","","","has coordinates","140010","2020-10-21","18:00:00",""
"4123895","9.9867","0.0004","15.5125","0.0005","20.0463","0.0007","90","","90","","90","","3105.55","0.19","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 Cl3 N4 O3 Pd -","- C31 H27 Cl3 N4 O3 Pd -","- C124 H108 Cl12 N16 O12 Pd4 -","4","1","","Zhang, Qi; Yin, Xue-Song; Chen, Kai; Zhang, Shuo-Qing; Shi, Bing-Feng","Stereoselective Synthesis of Chiral β-Fluoro α-Amino Acids via Pd(II)-Catalyzed Fluorination of Unactivated Methylene C(sp(3))-H Bonds: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","25","8219","8226","10.1021/jacs.5b03989","","","0.71073","MoKα","","0.0274","0.0234","","","0.0509","0.0527","","","","","","1.038","","","","has coordinates","140011","2020-10-21","18:00:00",""
"4123896","14.3531","0.0003","27.7447","0.0009","12.1851","0.0003","90","","113.26","0.002","90","","4458","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H51 B20 Cl2 Ir N2 O2 -","- C36 H51 B20 Cl2 Ir N2 O2 -","- C144 H204 B80 Cl8 Ir4 N8 O8 -","4","0.5","","Lee, Young Hoon; Park, Jihyun; Lee, Junseong; Lee, Sang Uck; Lee, Min Hyung","Iridium Cyclometalates with Tethered o-Carboranes: Impact of Restricted Rotation of o-Carborane on Phosphorescence Efficiency.","Journal of the American Chemical Society","2015","137","25","8018","8021","10.1021/jacs.5b04576","","","0.71073","MoKα","","0.0513","0.0352","","","0.0783","0.096","","","","","","1.101","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123897","13.3962","0.0002","14.4075","0.0003","16.1457","0.0003","66.228","0.001","66.344","0.001","83.088","0.001","2609","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H59 B20 Cl6 Ir N2 O2 -","- C40 H59 B20 Cl6 Ir N2 O2 -","- C80 H118 B40 Cl12 Ir2 N4 O4 -","2","1","","Lee, Young Hoon; Park, Jihyun; Lee, Junseong; Lee, Sang Uck; Lee, Min Hyung","Iridium Cyclometalates with Tethered o-Carboranes: Impact of Restricted Rotation of o-Carborane on Phosphorescence Efficiency.","Journal of the American Chemical Society","2015","137","25","8018","8021","10.1021/jacs.5b04576","","","0.71073","MoKα","","0.0448","0.0398","","","0.1009","0.1048","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123898","10.0251","0.0002","11.4891","0.0002","34.7369","0.0002","90","","90","","90","","4000.97","0.11","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br F3 N O -","- C21 H21 Br F3 N O -","- C168 H168 Br8 F24 N8 O8 -","8","2","","Cahard, Elise; Male, Henry P. J.; Tissot, Matthieu; Gaunt, Matthew J.","Enantioselective and Regiodivergent Copper-Catalyzed Electrophilic Arylation of Allylic Amides with Diaryliodonium Salts.","Journal of the American Chemical Society","2015","137","25","7986","7989","10.1021/jacs.5b03937","","","0.71073","MoKα","","0.071","0.0524","","","0.1356","0.1461","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123899","22.764","0.0007","22.764","0.0007","20.1397","0.0005","90","","90","","90","","10436.4","0.5","100","","100","","","","","","","","","5","I -4","I -4","82","","","","- C56 H81 N4 P4 Rh -","- C56 H81 N4 P4 Rh -","- C448 H648 N32 P32 Rh8 -","8","1","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","x-ray","0.71073","MoKα","","0.0573","0.0446","","","0.0972","0.1035","","","","","","1.063","","","","has coordinates","140014","2020-10-21","18:00:00",""
"4123900","10.3561","0.0004","22.3066","0.0009","25.118","0.0011","78.365","0.001","88.802","0.001","85.947","0.001","5668.9","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C62 H69 B F4 N4 O0.5 P4 Rh -","- C62 H69 B F4 N4 O0.5 P4 Rh -","- C248 H276 B4 F16 N16 O2 P16 Rh4 -","4","2","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","x-ray","0.71073","MoKα","","0.0765","0.0435","","","0.0896","0.106","","","","","","1.017","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123901","10.0163","0.0007","14.2416","0.0009","18.7726","0.0012","96.498","0.002","90.811","0.003","100.226","0.003","2616.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H65 N4 P4 Rh -","- C60 H65 N4 P4 Rh -","- C120 H130 N8 P8 Rh2 -","2","1","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","","0.71073","MoKα","","0.042","0.0306","","","0.0704","0.0749","","","","","","1.03","","","","has coordinates","140017","2020-10-21","18:00:00",""
"4123902","9.989","0.0002","48.2896","0.0009","12.8422","0.0003","90","","112.625","0.001","90","","5717.9","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H73 N4 O5 P4 Rh -","- C64 H73 N4 O5 P4 Rh -","- C256 H292 N16 O20 P16 Rh4 -","4","2","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","x-ray","0.71073","MoKα","","0.0257","0.025","","","0.0578","0.0582","","","","","","1.081","","","","has coordinates,has disorder","140018","2020-10-21","18:00:00",""
"4123903","12.825","0.0011","17.1647","0.0016","26.185","0.002","90","","94.522","0.004","90","","5746.4","0.9","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H67 B F4 N5 O4 P4 Rh -","- C62 H67 B F4 N5 O4 P4 Rh -","- C248 H268 B4 F16 N20 O16 P16 Rh4 -","4","1","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","x-ray","0.71073","MoKα","","0.074","0.0422","","","0.0731","0.084","","","","","","1.009","","","","has coordinates","140019","2020-10-21","18:00:00",""
"4123904","22.7509","0.0009","13.4975","0.0006","22.3982","0.0009","90","","109.665","0.0015","90","","6476.9","0.5","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C64 H94 B F4 N6 O4 P4 Rh -","- C64 H94 B F4 N6 O4 P4 Rh -","- C256 H376 B4 F16 N24 O16 P16 Rh4 -","4","0.5","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","","0.71073","MoKα","","0.1046","0.0543","","","0.0867","0.0984","","","","","","1.027","","","","has coordinates","140020","2020-10-21","18:00:00",""
"4123905","16.0883","0.0004","17.7264","0.0005","18.4436","0.0005","90","","98.328","0.001","90","","5204.4","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H57.5 F6 N4.5 P5 Rh -","- C57 H57.5 F6 N4.5 P5 Rh -","- C228 H230 F24 N18 P20 Rh4 -","4","1","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","x-ray","1.54178","CuKα","","0.0402","0.0396","","","0.1031","0.1037","","","","","","1.035","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123906","11.382","0.007","9.981","0.006","34.66","0.02","90","","91.279","0.009","90","","3937","4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 B2 N6 -","- C22 H18 B2 N6 -","- C176 H144 B16 N48 -","8","2","","Wang, Guanghui; Xu, Liang; Li, Pengfei","Double N,B-Type Bidentate Boryl Ligands Enabling a Highly Active Iridium Catalyst for C-H Borylation.","Journal of the American Chemical Society","2015","137","25","8058","8061","10.1021/jacs.5b05252","","","0.71073","MoKα","","0.1056","0.0502","","","0.0997","0.1279","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123907","7.9863","0.0006","8.4518","0.0006","18.3659","0.0014","96.106","0.002","93.622","0.002","112.862","0.002","1128.4","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 O3 -","- C30 H22 N2 O3 -","- C60 H44 N4 O6 -","2","1","","Maier, Josef M.; Li, Ping; Hwang, Jungwun; Smith, Mark D.; Shimizu, Ken D.","Measurement of Silver-π Interactions in Solution Using Molecular Torsion Balances.","Journal of the American Chemical Society","2015","137","25","8014","8017","10.1021/jacs.5b04554","","","0.71073","MoKα","","0.0461","0.0409","","","0.1023","0.1065","","","","","","1.014","","","","has coordinates","140023","2020-10-21","18:00:00",""
"4123908","13.2851","0.0007","11.1971","0.0006","13.2994","0.0008","90","","116.317","0.002","90","","1773.3","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C96 H72 N8 O8 -","4","1","","Maier, Josef M.; Li, Ping; Hwang, Jungwun; Smith, Mark D.; Shimizu, Ken D.","Measurement of Silver-π Interactions in Solution Using Molecular Torsion Balances.","Journal of the American Chemical Society","2015","137","25","8014","8017","10.1021/jacs.5b04554","","","0.71073","MoKα","","0.0496","0.0448","","","0.1169","0.1198","","","","","","1.029","","","","has coordinates","140024","2020-10-21","18:00:00",""
"4123909","10.0858","0.001","10.413","0.001","11.4837","0.0011","90","","92.06","0.003","90","","1205.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Maier, Josef M.; Li, Ping; Hwang, Jungwun; Smith, Mark D.; Shimizu, Ken D.","Measurement of Silver-π Interactions in Solution Using Molecular Torsion Balances.","Journal of the American Chemical Society","2015","137","25","8014","8017","10.1021/jacs.5b04554","","","0.71073","MoKα","","0.0443","0.0398","","","0.1051","0.1089","","","","","","1.057","","","","has coordinates","140025","2020-10-21","18:00:00",""
"4123910","7.8853","0.0007","10.0185","0.0009","18.0908","0.0016","100.971","0.003","97.255","0.003","95.175","0.003","1382.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H26 Ag B F4 N2 O4 -","- C31 H26 Ag B F4 N2 O4 -","- C62 H52 Ag2 B2 F8 N4 O8 -","2","1","","Maier, Josef M.; Li, Ping; Hwang, Jungwun; Smith, Mark D.; Shimizu, Ken D.","Measurement of Silver-π Interactions in Solution Using Molecular Torsion Balances.","Journal of the American Chemical Society","2015","137","25","8014","8017","10.1021/jacs.5b04554","","","0.71073","MoKα","","0.0502","0.0402","","","0.09","0.095","","","","","","1.033","","","","has coordinates","140026","2020-10-21","18:00:00",""
"4123911","21.8109","0.001","16.5511","0.0008","15.7831","0.0007","90","","90","","90","","5697.6","0.5","100","","99.8","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C56 H70 Cl3 F6 N10 P Ru2 -","- C56 H70 Cl3 F6 N10 P Ru2 -","- C224 H280 Cl12 F24 N40 P4 Ru8 -","4","1","","Filonenko, Georgy A.; Aguila, Mae Joanne B.; Schulpen, Erik N.; van Putten, Robbert; Wiecko, Jelena; Müller, Christian; Lefort, Laurent; Hensen, Emiel J. M.; Pidko, Evgeny A.","Bis-N-heterocyclic Carbene Aminopincer Ligands Enable High Activity in Ru-Catalyzed Ester Hydrogenation.","Journal of the American Chemical Society","2015","137","24","7620","7623","10.1021/jacs.5b04237","","","0.71073","MoKα","","0.0508","0.0346","","","0.0644","0.0692","","","","","","1.021","","","","has coordinates","140027","2020-10-21","18:00:00",""
"4123912","14.2869","0.0009","14.7963","0.0009","19.1431","0.0011","98.092","0.002","109.786","0.002","91.271","0.003","3759.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H81 B2 F24 Fe N P3 -","- C78 H81 B2 F24 Fe N P3 -","- C156 H162 B4 F48 Fe2 N2 P6 -","2","1","","Anderson, John S.; Cutsail, 3rd, George E; Rittle, Jonathan; Connor, Bridget A.; Gunderson, William A.; Zhang, Limei; Hoffman, Brian M.; Peters, Jonas C.","Characterization of an Fe≡N-NH2 Intermediate Relevant to Catalytic N2 Reduction to NH3.","Journal of the American Chemical Society","2015","137","24","7803","7809","10.1021/jacs.5b03432","","","0.71073","MoKα","","0.1075","0.052","","","0.1114","0.1334","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123913","27.809","0.003","27.809","0.003","20.6","0.003","90","","90","","90","","15931","3","110","2","110","2","","","","","","","","6","P 4/m b m","-P 4 2ab","127","","","","- C96 H52 Cd6.5 Cl5 N40 O6 -","- C96 H52 Cd6.5 Cl5 N40 O6 -","- C192 H104 Cd13 Cl10 N80 O12 -","2","0.125","","Liu, Dahuan; Liu, Tian-Fu; Chen, Ying-Pin; Zou, Lanfang; Feng, Dawei; Wang, Kecheng; Zhang, Qiang; Yuan, Shuai; Zhong, Chongli; Zhou, Hong-Cai","A Reversible Crystallinity-Preserving Phase Transition in Metal-Organic Frameworks: Discovery, Mechanistic Studies, and Potential Applications.","Journal of the American Chemical Society","2015","137","24","7740","7746","10.1021/jacs.5b02999","","","0.71073","MoKα","","0.1645","0.101","","","0.2325","0.2479","","","","","","1.002","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123914","27.849","0.002","27.849","0.002","20.452","0.003","90","","90","","90","","15862","3","110","2","110","2","","","","","","","","6","P 4/m b m","-P 4 2ab","127","","","","- C96 H48 Cd8.5 Cl5 N40 O8 -","- C96 H48 Cd8.5 Cl5 N40 O8 -","- C192 H96 Cd17 Cl10 N80 O16 -","2","0.125","","Liu, Dahuan; Liu, Tian-Fu; Chen, Ying-Pin; Zou, Lanfang; Feng, Dawei; Wang, Kecheng; Zhang, Qiang; Yuan, Shuai; Zhong, Chongli; Zhou, Hong-Cai","A Reversible Crystallinity-Preserving Phase Transition in Metal-Organic Frameworks: Discovery, Mechanistic Studies, and Potential Applications.","Journal of the American Chemical Society","2015","137","24","7740","7746","10.1021/jacs.5b02999","","","0.71073","MoKα","","0.1753","0.091","","","0.2151","0.2361","","","","","","1.003","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123915","21.599","0.002","21.599","0.002","19.383","0.004","90","","90","","90","","9042","2","298","2","298","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C96 H48 Cd8 Cl5 N40 O6 -","- C96 H48 Cd8 Cl5 N40 O6 -","- C96 H48 Cd8 Cl5 N40 O6 -","1","0.0625","","Liu, Dahuan; Liu, Tian-Fu; Chen, Ying-Pin; Zou, Lanfang; Feng, Dawei; Wang, Kecheng; Zhang, Qiang; Yuan, Shuai; Zhong, Chongli; Zhou, Hong-Cai","A Reversible Crystallinity-Preserving Phase Transition in Metal-Organic Frameworks: Discovery, Mechanistic Studies, and Potential Applications.","Journal of the American Chemical Society","2015","137","24","7740","7746","10.1021/jacs.5b02999","","","0.71073","MoKα","","0.1106","0.0558","","","0.1227","0.1287","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123916","20.55","0.006","20.55","0.006","19.905","0.011","90","","90","","90","","8406","6","110","2","110","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C96 H51.2 Cd0 Cl Mn4.9 N40 O4 -","- C96 H51.2 Cl Mn4.9 N40 O4 -","- C96 H51.2 Cl Mn4.9 N40 O4 -","1","0.0625","","Liu, Dahuan; Liu, Tian-Fu; Chen, Ying-Pin; Zou, Lanfang; Feng, Dawei; Wang, Kecheng; Zhang, Qiang; Yuan, Shuai; Zhong, Chongli; Zhou, Hong-Cai","A Reversible Crystallinity-Preserving Phase Transition in Metal-Organic Frameworks: Discovery, Mechanistic Studies, and Potential Applications.","Journal of the American Chemical Society","2015","137","24","7740","7746","10.1021/jacs.5b02999","","","0.71073","MoKα","","0.1665","0.0682","","","0.1545","0.1669","","","","","","1.008","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123917","11.056","0.008","39.67","0.03","7.531","0.005","90","","97.688","0.009","90","","3273","4","103","2","103","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C58 H28 -","- C58 H28 -","- C232 H112 -","4","0.5","","Fujikawa, Takao; Segawa, Yasutomo; Itami, Kenichiro","Synthesis, Structures, and Properties of π-Extended Double Helicene: A Combination of Planar and Nonplanar π-Systems.","Journal of the American Chemical Society","2015","137","24","7763","7768","10.1021/jacs.5b03118","","","0.71075","MoKα","","0.1128","0.0736","","","0.1642","0.1861","","","","","","1.098","","","","has coordinates","275168","2022-05-07","00:26:13",""
"4123918","11.7952","0.0006","9.0065","0.0005","15.2933","0.0008","90","","99.549","0.0016","90","","1602.15","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 Br O3 -","- C20 H15 Br O3 -","- C80 H60 Br4 O12 -","4","2","","Huang, Yinhua; Hayashi, Tamio","Asymmetric Synthesis of Triarylmethanes by Rhodium-Catalyzed Enantioselective Arylation of Diarylmethylamines with Arylboroxines.","Journal of the American Chemical Society","2015","137","24","7556","7559","10.1021/jacs.5b03277","","","0.71073","MoKα","","0.0193","0.0178","","","0.049","0.0518","","","","","","1.025","","","","has coordinates","140034","2020-10-21","18:00:00",""
"4123919","6.8925","","7.8573","","10.1656","","90","","91.487","","90","","550.347","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","K (Sb P2 Se6)","","- K P2 Sb Se6 -","- K P2 Sb Se6 -","- K2 P4 Sb2 Se12 -","2","1","","Breshears, J.D.; Kanatzidis, M.G.","beta-(K M P2 Se6) (M = Sb, Bi): kinetically accessible phases obtained from rapid crystallisation of amorphous precursors","Journal of the American Chemical Society","2000","122","","7839","7840","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123920","6.9183","","7.663","","10.239","","90","","91.508","","90","","542.632","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","K (Bi P2 Se6)","","- Bi K P2 Se6 -","- Bi K P2 Se6 -","- Bi2 K2 P4 Se12 -","2","1","","Breshears, J.D.; Kanatzidis, M.G.","beta-(K M P2 Se6) (M = Sb, Bi): kinetically accessible phases obtained from rapid crystallisation of amorphous precursors","Journal of the American Chemical Society","2000","122","","7839","7840","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123921","14.88","","10.09","","10.93","","90","","96.16","","90","","1631.55","","","","","","","","","","","","","2","P 1 2 1","P 2y","3","","Sm3 C70","","- C70 Sm3 -","- C70 Sm3 -","- C140 Sm6 -","2","1","","Chen, X.H.; Chi, D.H.; Liu, Z.S.; Takenobu, T.; Sun, Z.; Iwasa, Y.","Synthesis, structure, and transport properties of novel fullerides A3 C70 (A = Ba and Sm)","Journal of the American Chemical Society","2000","122","","5729","5732","","","","","","","","","","","","","","","","","","","","","","has coordinates","140525","2020-10-21","18:00:00",""
"4123922","7.556","","7.556","","27.257","","90","","90","","90","","1556.19","","","","","","","","","","","","","4","I 4/m","-I 4","87","","(Mg (N H3)6) Hg22","","- H18 Hg22 Mg N6 -","- Hg22 Mg N6 -","- Hg44 Mg2 N12 -","2","0.125","","Hwang, I.-C.; Drews, T.; Seppelt, K.","Mg (N H3)6 Hg22, a mercury intercalation compound","Journal of the American Chemical Society","2000","122","","8486","8489","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123923","10.1899","","10.1899","","10.1899","","90","","90","","90","","1058.06","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(Mg (N H3)6) Cl2","","- Cl2 H18 Mg N6 -","- Cl2 H18 Mg N6 -","- Cl8 H72 Mg4 N24 -","4","0.0208333","","Hwang, I.-C.; Drews, T.; Seppelt, K.","Mg (N H3)6 Hg22, a mercury intercalation compound","Journal of the American Chemical Society","2000","122","","8486","8489","","","","","","","","","","","","","","","","","","","","","","has coordinates","189075","2020-10-21","18:00:00",""
"4123924","9.286","0.004","10.034","0.005","18.234","0.01","90","","90","","90","","1699","1.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Xu, Bin; Li, Mao-Lin; Zuo, Xiao-Dong; Zhu, Shou-Fei; Zhou, Qi-Lin","Catalytic Asymmetric Arylation of α-Aryl-α-diazoacetates with Aniline Derivatives.","Journal of the American Chemical Society","2015","137","27","8700","8703","10.1021/jacs.5b05086","","","1.54178","CuKα","","0.0384","0.0377","","","0.0923","0.0931","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123925","34.2011","0.0008","34.2011","0.0008","34.2011","0.0008","90","","90","","90","","40005.5","1.6","296","2","296","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C165 H157 Ag29 N7 O7 P4 S24 -","- C144 H108 Ag29 P4 S24 -","- C1152 H864 Ag232 P32 S192 -","8","0.333333","","AbdulHalim, Lina G.; Bootharaju, Megalamane S.; Tang, Qing; Del Gobbo, Silvano; AbdulHalim, Rasha G.; Eddaoudi, Mohamed; Jiang, De-En; Bakr, Osman M.","Ag29(BDT)12(TPP)4: A Tetravalent Nanocluster.","Journal of the American Chemical Society","2015","137","37","11970","11975","10.1021/jacs.5b04547","","","1.54178","CuKα","","0.1644","0.0894","","","0.2114","0.2758","","","","","","1.153","","","","has coordinates","160538","2020-10-21","18:00:00",""
"4123926","10.451","0.0002","22.601","0.0004","22.0156","0.0005","90","","94.409","0.001","90","","5184.76","0.18","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H68 N4 Ni2 Si2 -","- C56 H68 N4 Ni2 Si2 -","- C224 H272 N16 Ni8 Si8 -","4","1","","Pal, Sudipta; Uyeda, Christopher","Evaluating the Effect of Catalyst Nuclearity in Ni-Catalyzed Alkyne Cyclotrimerizations.","Journal of the American Chemical Society","2015","137","25","8042","8045","10.1021/jacs.5b04990","","","0.71073","MoKα","","0.063","0.0362","","","0.0871","0.0995","","","","","","1.024","","","","has coordinates","140973","2020-10-21","18:00:00",""
"4123927","8.2242","0.0003","14.3806","0.0007","17.7803","0.0006","107.132","0.004","93.402","0.003","102.319","0.003","1946.39","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H54 N4 Ni2 Si -","- C41 H54 N4 Ni2 Si -","- C82 H108 N8 Ni4 Si2 -","2","1","","Pal, Sudipta; Uyeda, Christopher","Evaluating the Effect of Catalyst Nuclearity in Ni-Catalyzed Alkyne Cyclotrimerizations.","Journal of the American Chemical Society","2015","137","25","8042","8045","10.1021/jacs.5b04990","","","1.54178","CuKα","","0.0515","0.0489","","","0.1379","0.1404","","","","","","1.059","","","","has coordinates","140973","2020-10-21","18:00:00",""
"4123928","8.7323","0.0003","26.7612","0.0007","10.8183","0.0003","90","","97.865","0.002","90","","2504.31","0.13","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C128 H104 N24 O8 -","8","2","","Shang, Rui; Ilies, Laurean; Nakamura, Eiichi","Iron-Catalyzed Directed C(sp(2))-H and C(sp(3))-H Functionalization with Trimethylaluminum.","Journal of the American Chemical Society","2015","137","24","7660","7663","10.1021/jacs.5b04818","","","1.54187","CuKα","","0.173","0.0684","","","0.1428","0.1955","","","","","","0.759","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123929","11.208","","17.286","","23.536","","90","","90","","90","","4559.9","","","","","","","","","","","","","5","I 2 2 2","I 2 2","23","","Cs14 Li22.72 (Li18.4 Si72 O172) (D2 O)6.16","","- Cs14 D12.32 Li41.12 O178.16 Si72 -","- Cs13.996 Li41.12 O178.164 Si72 -","- Cs13.996 Li41.12 O178.164 Si72 -","1","0.125","","Park, S.-H.; Grey, C.P.; Parise, J.B.; Gies, H.; Liu, H.-M.; Toby, B.H.","A new porous lithosilicate with a high ionic conductivity and ion-exchange capacity","Journal of the American Chemical Society","2000","122","","11023","11024","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123930","9.3357","","9.3357","","9.3357","","93.482","","93.482","","93.482","","808.958","","","","","","","","","","","","","4","R -3 m :R","-P 3* 2","166","","Li3.53 (Al3.53 Si8.47 O24)","","- Al3.53 Li3.53 O24 Si8.47 -","- Al3.528 Li3.536 O24 Si8.472 -","- Al3.528 Li3.536 O24 Si8.472 -","1","0.0833333","","Smith, L.J.; Eckert, H.; Cheetham, A.K.","Site preferences in the mixed cation zeolite, Li, Na-chabazite: a combined solid-state NMR and neutron diffraction study","Journal of the American Chemical Society","2000","122","","1700","1708","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123931","9.3385","","9.3385","","9.3385","","93.482","","93.482","","93.482","","809.686","","","","","","","","","","","","","5","R -3 m :R","-P 3* 2","166","","(Li2.05 Na1.61) (Al3.53 Si8.47 O24)","","- Al3.53 Li2.05 Na1.61 O24 Si8.47 -","- Al3.528 Li2.054 Na1.608 O24 Si8.472 -","- Al3.528 Li2.054 Na1.608 O24 Si8.472 -","1","0.0833333","","Smith, L.J.; Eckert, H.; Cheetham, A.K.","Site preferences in the mixed cation zeolite, Li, Na-chabazite: a combined solid-state NMR and neutron diffraction study","Journal of the American Chemical Society","2000","122","","1700","1708","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123932","28.24919","","15.7094","","24.424","","90","","102.337","","90","","10588.5","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Al O4 Al12 (O H)12 (H2 O)24) (Al (O H)6 Mo6 O18)2 (O H) (H2 O)29.7","","- Al15 H132.4 Mo12 O118.7 -","- Al15 Mo12 O118.704 -","- Al60 Mo48 O474.816 -","4","0.5","","Son, J.-H.; Kwon, Y.-U.; Choi, H.","Porous crystal formation from polyoxometalate building blocks: single-crystal structure of (Al O4 Al12 (O H)12 (H2 O)24) (Al (O H)6 No6 O18)2 (O H) . 29.5(H2 O)","Journal of the American Chemical Society","2000","122","","7432","7433","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123933","27.96","","17.877","","32.13","","90","","90.28","","90","","16059.7","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(H3 O)12 ((H2 O) Mo O2.5 (Mo36 O108 (N O)4 (H2 O)16) O2.5 Mo (H2 O)) (H2 O)44","","- H160 Mo38 N4 O191 -","- Mo38 N4 O191 -","- Mo152 N16 O764 -","4","0.5","","Zhang, S.-W.; Wei, Y.-G.; Yu, Q.; Shao, M.-C.; Tang, Y.-Q.","Toward quantum line-self-assembly process of nanomolecular building blocks leading to a novel one-dimensional nanomolecular polymer: single-crystal X-ray structure of ((H3 O)(+)12 ((H2 O) Mo O2.5 (Mo 36 O108 (N O)4 (H2 O)16) O2.5 Mo (H2 O))(12-)","Journal of the American Chemical Society","1997","119","","6440","6441","","","","","","","","","","","","","","","","","","","","","","has coordinates","141208","2020-10-21","18:00:00",""
"4123934","9.957","","9.957","","54.55","","90","","90","","120","","4683.63","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Cs5 ((Re Br)6 S8) Br","","- Br7 Cs5 Re6 S8 -","- Br7 Cs5 Re6 S8 -","- Br42 Cs30 Re36 S48 -","6","0.166667","","Long, J.R.; McCarty, L.S.; Holm, R.H.","A solid-state route to molecular clusters: access to the solution chemistry of (Re6 Q8)(2+) (Q = S, Se) core-containing clusters via dimensional reduction","Journal of the American Chemical Society","1996","118","","4603","4616","","","","","","","","","","","","","","","","","","","","","","has coordinates","141214","2020-10-21","18:00:00",""
"4123935","15.842","","15.842","","15.842","","90","","90","","90","","3975.85","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Cs6 ((Re I)6 S8) I2","","- Cs6 I8 Re6 S8 -","- Cs6 I8 Re6 S8 -","- Cs24 I32 Re24 S32 -","4","0.0208333","","Long, J.R.; McCarty, L.S.; Holm, R.H.","A solid-state route to molecular clusters: access to the solution chemistry of (Re6 Q8)(2+) (Q = S, Se) core-containing clusters via dimensional reduction","Journal of the American Chemical Society","1996","118","","4603","4616","","","","","","","","","","","","","","","","","","","","","","has coordinates","141215","2020-10-21","18:00:00",""
"4123936","6.544","","18.687","","9.263","","90","","104.26","","90","","1097.85","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cs2 ((Re Br)4 Re2 Se8)","","- Br4 Cs2 Re6 Se8 -","- Br4 Cs2 Re6 Se8 -","- Br8 Cs4 Re12 Se16 -","2","0.5","","Long, J.R.; Holm, R.H.; McCarty, L.S.","A solid-state route to molecular clusters: access to the solution chemistry of (Re6 Q8)(2+) (Q = S, Se) core-containing clusters via dimensional reduction","Journal of the American Chemical Society","1996","118","","4603","4616","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123937","6.565","","19.678","","15.793","","90","","96.77","","90","","2026.01","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cs ((Re I)3 Re3 Se8)","","- Cs I3 Re6 Se8 -","- Cs I3 Re6 Se8 -","- Cs4 I12 Re24 Se32 -","4","1","","Long, J.R.; McCarty, L.S.; Holm, R.H.","A solid-state route to molecular clusters: access to the solution chemistry of (Re6 Q8)(2+) (Q = S, Se) core-containing clusters via dimensional reduction","Journal of the American Chemical Society","1996","118","","4603","4616","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123938","10.099","","28.922","","11.667","","90","","106.27","","90","","3271.26","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cs4 ((Re I)6 Se8)","","- Cs4 I6 Re6 Se8 -","- Cs4 I6 Re6 Se8 -","- Cs16 I24 Re24 Se32 -","4","1","","Long, J.R.; McCarty, L.S.; Holm, R.H.","A solid-state route to molecular clusters: access to the solution chemistry of (Re6 Q8)(2+) (Q = S, Se) core-containing clusters via dimensional reduction","Journal of the American Chemical Society","1996","118","","4603","4616","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123939","16.7657","0.0019","8.6793","0.0012","17.034","0.002","90","","94.282","0.006","90","","2471.8","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 N2 O4 S2 -","- C25 H34 N2 O4 S2 -","- C100 H136 N8 O16 S8 -","4","1","","Romanov-Michailidis, Fedor; Sedillo, Kassandra F.; Neely, Jamie M.; Rovis, Tomislav","Expedient Access to 2,3-Dihydropyridines from Unsaturated Oximes by Rh(III)-Catalyzed C-H Activation.","Journal of the American Chemical Society","2015","137","28","8892","8895","10.1021/jacs.5b04946","","","0.71073","MoKα","","0.1088","0.0655","","","0.1587","0.1838","","","","","","1.052","","","","has coordinates","152855","2020-10-21","18:00:00",""
"4123940","28.244","0.003","28.244","0.003","8.1899","0.0011","90","","90","","120","","5658","1.1","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H24 Cl4 F6 Rh2 -","- C20 H24 Cl4 F6 Rh2 -","- C180 H216 Cl36 F54 Rh18 -","9","0.5","","Romanov-Michailidis, Fedor; Sedillo, Kassandra F.; Neely, Jamie M.; Rovis, Tomislav","Expedient Access to 2,3-Dihydropyridines from Unsaturated Oximes by Rh(III)-Catalyzed C-H Activation.","Journal of the American Chemical Society","2015","137","28","8892","8895","10.1021/jacs.5b04946","","","0.71073","MoKα","","0.0567","0.033","","","0.0689","0.0868","","","","","","1.105","","","","has coordinates","152855","2020-10-21","18:00:00",""
"4123941","9.1694","0.0002","10.3934","0.0002","15.8101","0.0003","93.078","0.001","96.205","0.001","94.987","0.001","1489.19","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 N O5 S -","- C34 H33 N O5 S -","- C68 H66 N2 O10 S2 -","2","1","","Qiu, Jiang-Kai; Jiang, Bo; Zhu, Yi-Long; Hao, Wen-Juan; Wang, De-Cai; Sun, Jun; Wei, Ping; Tu, Shu-Jiang; Li, Guigen","Catalytic Dual 1,1-H-Abstraction/Insertion for Domino Spirocyclizations.","Journal of the American Chemical Society","2015","137","28","8928","8931","10.1021/jacs.5b05735","","","0.71073","MoKα","","0.0509","0.0435","","","0.1189","0.126","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123942","12.2443","0.0007","11.5289","0.0006","18.6517","0.001","90","","95.401","0.003","90","","2621.2","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Cl N O3 S -","- C30 H28 Cl N O3 S -","- C120 H112 Cl4 N4 O12 S4 -","4","1","","Qiu, Jiang-Kai; Jiang, Bo; Zhu, Yi-Long; Hao, Wen-Juan; Wang, De-Cai; Sun, Jun; Wei, Ping; Tu, Shu-Jiang; Li, Guigen","Catalytic Dual 1,1-H-Abstraction/Insertion for Domino Spirocyclizations.","Journal of the American Chemical Society","2015","137","28","8928","8931","10.1021/jacs.5b05735","","","0.71073","MoKα","","0.0616","0.0397","","","0.1026","0.1163","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123943","8.6046","0.0003","9.8632","0.0004","14.5013","0.0006","82.148","0.002","82.067","0.002","74.011","0.002","1165.48","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","TM101","fischer02","","- C46 H30 B2 Br2 Cl12 -","- C46 H30 B2 Br2 Cl12 -","- C46 H30 B2 Br2 Cl12 -","1","0.5","","Cloke, Ryan R.; Marangoni, Tomas; Nguyen, Giang D.; Joshi, Trinity; Rizzo, Daniel J.; Bronner, Christopher; Cao, Ting; Louie, Steven G.; Crommie, Michael F.; Fischer, Felix R.","Site-Specific Substitutional Boron Doping of Semiconducting Armchair Graphene Nanoribbons.","Journal of the American Chemical Society","2015","137","28","8872","8875","10.1021/jacs.5b02523","","","0.71073","MoKα","","0.0556","0.0387","","","0.081","0.0887","","","","","","1.036","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123944","12.3695","0.0006","21.8417","0.001","21.5457","0.0011","90","","105.723","0.002","90","","5603.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","hj4164","","","- C65 H78 N2 O Ru Si -","- C65 H78 N2 O Ru Si -","- C260 H312 N8 O4 Ru4 Si4 -","4","1","","Liu, Hsueh-Ju; Landis, Clark; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Donor-Promoted 1,2-Hydrogen Migration from Silicon to a Saturated Ruthenium Center and Access to Silaoxiranyl and Silaiminyl Complexes.","Journal of the American Chemical Society","2015","137","28","9186","9194","10.1021/jacs.5b05571","","","0.71073","MoKα","","0.0617","0.0372","","","0.0719","0.0803","","","","","","1.043","","","","has coordinates,has disorder","152857","2020-10-21","18:00:00",""
"4123945","11.052","0.0002","11.3612","0.0002","18.992","0.0004","78.848","0.001","85.57","0.001","64.995","0.001","2120.36","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","hj7028","","","- C48.5 H59 F3 N2 O Ru Si -","- C48.5 H58.5 F3 N2 O Ru Si -","- C97 H117 F6 N4 O2 Ru2 Si2 -","2","1","","Liu, Hsueh-Ju; Landis, Clark; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Donor-Promoted 1,2-Hydrogen Migration from Silicon to a Saturated Ruthenium Center and Access to Silaoxiranyl and Silaiminyl Complexes.","Journal of the American Chemical Society","2015","137","28","9186","9194","10.1021/jacs.5b05571","","","0.71073","MoKα","","0.0372","0.0349","","","0.088","0.0896","","","","","","1.057","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123946","16.5087","0.001","22.9978","0.0011","17.8555","0.0009","90","","108.957","0.003","90","","6411.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","hj4008","","","- C57 H70 N2 O Ru Si -","- C57 H70 N2 O Ru Si -","- C228 H280 N8 O4 Ru4 Si4 -","4","1","","Liu, Hsueh-Ju; Landis, Clark; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Donor-Promoted 1,2-Hydrogen Migration from Silicon to a Saturated Ruthenium Center and Access to Silaoxiranyl and Silaiminyl Complexes.","Journal of the American Chemical Society","2015","137","28","9186","9194","10.1021/jacs.5b05571","","","0.71073","MoKα","","0.0904","0.0644","","","0.1311","0.1411","","","","","","1.139","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123947","15.5731","0.0012","15.6694","0.0013","21.6607","0.0016","90","","96.084","0.004","90","","5255.9","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","hj6112","","","- C51 H67 N3 O2 Ru S Si -","- C51 H67 N3 O2 Ru S Si -","- C204 H268 N12 O8 Ru4 S4 Si4 -","4","1","","Liu, Hsueh-Ju; Landis, Clark; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Donor-Promoted 1,2-Hydrogen Migration from Silicon to a Saturated Ruthenium Center and Access to Silaoxiranyl and Silaiminyl Complexes.","Journal of the American Chemical Society","2015","137","28","9186","9194","10.1021/jacs.5b05571","","","0.71073","MoKα","","0.0602","0.0386","","","0.0742","0.0823","","","","","","1.019","","","","has coordinates","152857","2020-10-21","18:00:00",""
"4123948","7.6489","0.0004","17.3794","0.0008","17.2195","0.0008","90","","96.646","0.002","90","","2273.66","0.19","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H37 B Li N O2 Si -","- C21 H37 B Li N O2 Si -","- C84 H148 B4 Li4 N4 O8 Si4 -","4","1","","Brown, Alec N.; Li, Bo; Liu, Shih-Yuan","Negishi Cross-Coupling Is Compatible with a Reactive B-Cl Bond: Development of a Versatile Late-Stage Functionalization of 1,2-Azaborines and Its Application to the Synthesis of New BN Isosteres of Naphthalene and Indenyl.","Journal of the American Chemical Society","2015","137","28","8932","8935","10.1021/jacs.5b05879","","","1.54178","CuKα","","0.0616","0.0551","","","0.1555","0.1645","","","","","","1.024","","","","has coordinates,has disorder","152860","2020-10-21","18:00:00",""
"4123949","8.1542","0.0006","5.7395","0.0004","7.759","0.0005","90","","107.059","0.006","90","","347.15","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 B N -","- C8 H8 B N -","- C16 H16 B2 N2 -","2","0.5","","Brown, Alec N.; Li, Bo; Liu, Shih-Yuan","Negishi Cross-Coupling Is Compatible with a Reactive B-Cl Bond: Development of a Versatile Late-Stage Functionalization of 1,2-Azaborines and Its Application to the Synthesis of New BN Isosteres of Naphthalene and Indenyl.","Journal of the American Chemical Society","2015","137","28","8932","8935","10.1021/jacs.5b05879","","","1.54178","CuKα","","0.0666","0.0566","","","0.1557","0.1641","","","","","","1.076","","","","has coordinates,has disorder","152860","2020-10-21","18:00:00",""
"4123950","7.6","","7.6","","7.6","","90","","90","","90","","438.976","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Li Pt2 -","- Li Pt2 -","- Li8 Pt16 -","8","0.0416667","","Nash, C.P.; Boyden, F.M.; Whittig, L.D.","Intermetallic compounds of alkali metals with platinum. A novel preparation of a colloidal platinum hydrogenation catalyst","Journal of the American Chemical Society","1960","82","","6203","6204","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4123951","6.362","","6.273","","12.165","","90","","93.15","","90","","484.757","","","","","","","","","","","","","2","P 1 2/c 1","-P 2yc","13","","Re Cl4","","- Cl4 Re -","- Cl4 Re -","- Cl16 Re4 -","4","1","","Cotton, F.A.; Mester, Z.C.; de Boer, B.G.","The chemistry of rhenium(IV) chloride. II. Structure of one of the polymorphs (beta) and evidence for a new polymorph (gamma)","Journal of the American Chemical Society","1973","95","","1159","1163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123952","6.313","","6.313","","5.074","","90","","90","","120","","175.127","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cd Mg3 -","- Cd Mg3 -","- Cd2 Mg6 -","2","0.0833333","","Edwards, D.A.; Craig, R.S.; Wallace, W.E.","Magnesium-cadmium alloys. IV. The cadmium-rich alloys; some lattice parameters and phase relationships between 25 and 300 C. Structure of Mg Cd3","Journal of the American Chemical Society","1952","74","","5256","5262","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4123953","6.2335","","6.2335","","5.0449","","90","","90","","120","","169.765","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cd3 Mg -","- Cd3 Mg -","- Cd6 Mg2 -","2","0.0833333","","Edwards, D.A.; Wallace, W.E.; Craig, R.S.","Magnesium-cadmium alloys. IV. The cadmium-rich alloys; some lattice parameters and phase relationships between 25 and 300 C. Structure of Mg Cd3","Journal of the American Chemical Society","1952","52","","5256","5262","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4123954","2.9999","","2.9999","","5.5158","","90","","90","","120","","42.989","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Cd0.9 Mg0.1)","","- Cd0.9 Mg0.1 -","- Cd0.906 Mg0.094 -","- Cd1.812 Mg0.188 -","2","0.0833333","","Edwards, D.A.; Wallace, W.E.; Craig, R.S.","Magnesium-cadmium alloys. IV. The cadmium-rich alloys; some lattice parameters and phase relationships between 25 and 300 C. Structure of Mg Cd3","Journal of the American Chemical Society","1952","52","","5256","5262","","","","","","","","","","","","","","","","","","","","","","has coordinates","145020","2020-10-21","18:00:00",""
"4123955","8.215","","14.864","","8.99","","105.22","","118.5","","96.95","","890.762","","","","","","","","","","","","","4","P -1","-P 1","2","","H3 Mn3 (C O)12","","- C12 H3 Mn3 O12 -","- C12 H3 Mn3 O12 -","- C24 H6 Mn6 O24 -","2","1","","Kirtley, S.W.; Olsen, J.P.; Bau, R.","Location of the hydrogen atoms in H3 Mn3 (C O)12. A crystal structure determination","Journal of the American Chemical Society","1973","95","","4532","4536","","","","","","","","","","","","","","","","","","","","","","has coordinates","145505","2020-10-21","18:00:00",""
"4123956","7.969","","7.57","","8.536","","90","","93.03","","90","","514.217","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","Ge5 F12","","- F12 Ge5 -","- F12 Ge5 -","- F24 Ge10 -","2","0.5","","Taylor, J.C.; Wilson, P.W.","Structures of fluorides. III. The structure of the mixedvalence fluoride Ge5 F12","Journal of the American Chemical Society","1973","95","","1834","1838","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123957","8.36","","11.3","","8.87","","90","","97.8","","90","","830.178","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Fe3 (C O)12","","- C12 Fe3 O12 -","- C12 Fe3 O12 -","- C24 Fe6 O24 -","2","0.5","","Wei, C.H.; Dahl, L.F.","Triiron dodecacarbonyl: An analysis of its stereochemistry","Journal of the American Chemical Society","1969","91","","1351","1361","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123958","23.58","","23.58","","43.922","","90","","90","","90","","24421.4","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","(Cd4 In16 S33) (H2 O)20 ((N2 C4 H8) ((N H2) C3 H6)2)2.5","","- Cd4 In16 S33 -","- Cd4 In16 S33 -","- Cd32 In128 S264 -","8","0.25","","Li, H.-L.; Kim, J.; O'Keeffe, M.; Groy, T.L.; Yaghi, O.M.","20 A (Cd4 In16 S35)(14-) supertetrahedral T4 clusters as building units in decorated cristobalite frameworks","Journal of the American Chemical Society","2001","123","","4867","4868","","","","","","","","","","","","","","","","","","","","","","has coordinates","146810","2020-10-21","18:00:00",""
"4123959","13.1","","13.1","","13.8","","90","","90","","90","","2368.22","","","","","","","","","","","","","2","P 42/m m c","-P 4c 2","131","","(Si O2)32","","- O64 Si32 -","- O64 Si32 -","- O64 Si32 -","1","0.0625","","Liu, Z.; Diaz-Cabanas, M.J.; Ohsuna, T.; Terasaki, O.; Hiraga, K.; Camblor, M.A.","The first zeolite with three-dimensional intersecting straight-channel system of 12-membered rings","Journal of the American Chemical Society","2001","123","","5370","5371","","","","","","","","","","","","","","","","","","","","","","has coordinates","146877","2020-10-21","18:00:00",""
"4123960","8.701","","9.21","","12.385","","111.11","","101.42","","102.08","","863.77","","","","","","","","","","","","","6","P -1","-P 1","2","","(Al4 (P O4)4 (O H)) (C4 H10 N)","","- C4 H11 Al4 N O17 P4 -","- C4 Al4 N O17 P4 -","- C8 Al8 N2 O34 P8 -","2","1","","Loiseau, T.; Ferey, G.; Mellot-Draznieks, C.; Sassoye, C.; Girard, S.; Huguenard, C.; Taulelle, F.; Guillou, N.","Chemistry - structure - simulation or chemistry - simulation - structure sequences? the case of MIL-34, a new porous aluminophosphate","Journal of the American Chemical Society","2001","123","","9642","9651","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123961","8.784","","8.784","","12.85","","110.43","","98.5","","104.92","","866.319","","","","","","","","","","","","","3","P -1","-P 1","2","","Al (P O4)","","- Al O4 P -","- Al O4 P -","- Al8 O32 P8 -","8","4","","Loiseau, T.; Mellot-Draznieks, C.; Taulelle, F.; Girard, S.; Sassoye, C.; Ferey, G.; Huguenard, C.; Guillou, N.","Chemistry - structure - simulation or chemistry - simulation - structure sequences? the case of MIL-34, a new porous aluminophosphate","Journal of the American Chemical Society","2001","123","","9642","9651","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123962","8.959","","5.6327","","9.13","","90","","90.159","","90","","460.729","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(N H4) (Zn As O4)","","- As H4 N O4 Zn -","- As N O4 Zn -","- As4 N4 O16 Zn4 -","4","2","","Feng, P.-Y.; Zhang, T.-Z.; Bu Xianhui","Arsenate zeolite analogues with 11 topological types","Journal of the American Chemical Society","2001","123","","8608","8609","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123963","13.8527","","13.8527","","13.8527","","90","","90","","90","","2658.3","","","","","","","","","","","","","5","I 21 3","I 2b 2c 3","199","","(N H4) (Zn (H2 O)) (Zn As O4)3","","- As3 H6 N O13 Zn4 -","- As3 N O13 Zn4 -","- As24 N8 O104 Zn32 -","8","0.333333","","Feng, P.-Y.; Zhang, T.-Z.; Bu Xianhui","Arsenate zeolite analogues with 11 topological types","Journal of the American Chemical Society","2001","123","","8608","8609","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123964","6.0838","","4.214","","10.361","","90","","98.83","","90","","262.478","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Cu0.25 U Te3","","- Cu0.25 Te3 U -","- Cu0.25 Te3 U -","- Cu0.5 Te6 U2 -","2","0.5","","Patschke, R.; Breshears, J.D.; Kannewurf, C.R.; Brazis, P.; Billinge, S.J.L.; Kanatzidis, M.G.","Cux U Te3 : stabilization of U Te3 in the Zr Se3 structure type via copper insertion. the artifact of Te - Te chains and evidence for distortions due to long range modulations","Journal of the American Chemical Society","2001","123","","4755","4762","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123965","13.038","","21.175","","22.353","","85.966","","83.556","","77.854","","5988","","","","","","","","","","","","","8","P -1","-P 1","2","","Ag10.4 P2 V4 Mo20 O80 (N O3)0.4 (C H3 C N)17.3 (H2 O)1.5","","- C34.6 H54.9 Ag10.4 Mo20 N17.7 O82.7 P2 V4 -","- C34.599 Ag10.4 Mo19.9992 N17.6995 O82.7 P2 V4.0008 -","- C69.198 Ag20.8 Mo39.9984 N35.399 O165.4 P4 V8.0016 -","2","1","","Rhule, J.T.; Hill, C.L.; Neiwert, W.A.; Do, B.T.; Hardcastle, K.I.","Ag5 P V2 Mo10 O40, a heterogeneous catalyst for air-based selective oxidation at ambient temperature","Journal of the American Chemical Society","2001","123","","12101","12102","","","","","","","","","","","","","","","","","","","","","","has coordinates","147525","2020-10-21","18:00:00",""
"4123966","5.5898","","5.8502","","7.8665","","90","","90","","90","","257.246","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","La (Pd O3)","","- La O3 Pd -","- La O3 Pd -","- La4 O12 Pd4 -","4","0.5","","Kim, S.-J.; Lemaux, S.; Demazeau, G.; Choy, J.-H.; Kim, J.-Y.","La Pd O3 : the first Pd(III) oxide with the perovskite structure","Journal of the American Chemical Society","2001","123","","10413","10414","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123967","11.5101","","11.5101","","11.5101","","90","","90","","90","","1524.89","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sm8 Ru12 Al49 Si9 (Al0.333 Si0.667)12","","- Al52.996 Ru12 Si17.004 Sm8 -","- Al52.996 Ru12 Si17.004 Sm8 -","- Al52.996 Ru12 Si17.004 Sm8 -","1","0.0208333","","Sieve, B.; Henning, R.; Chen, X.Z.; Kanatzidis, M.G.; Kannewurf, C.R.; Brazis, P.; Schultz, A.J.; Cowen, J.A.","Cubic aluminium silicides RE8 Ru12 Al49 Si9 (Alx Si12-x) (RE = Pr, Sm) from liquid aluminum. Empty (Si, Al)12 cuboctahedral clusters and assignment of the Al/Si distribution with neutron diffraction","Journal of the American Chemical Society","2001","123","","7040","7047","","","","","","","","","","","","","","","","","","","","","","has coordinates","147860","2020-10-21","18:00:00",""
"4123968","11.553","","11.553","","11.553","","90","","90","","90","","1542","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Pr8 Ru12 Al49 Si9 (Al0.37 Si0.63)12","","- Al53.44 Pr8 Ru12 Si16.56 -","- Al53.44 Pr8 Ru12 Si16.56 -","- Al53.44 Pr8 Ru12 Si16.56 -","1","0.0208333","","Sieve, B.; Chen, X.Z.; Henning, R.; Brazis, P.; Kannewurf, C.R.; Cowen, J.A.; Schultz, A.J.; Kanatzidis, M.G.","Cubic aluminium silicides RE8 Ru12 Al49 Si9 (Alx Si12-x) (RE= Pr, Sm) from liquid aluminum. Empty (Si, Al)12 cuboctahedral clusters and assignment of the Al/Si distribution with neutron diffraction","Journal of the American Chemical Society","2001","123","","7040","7047","","","","","","","","","","","","","","","","","","","","","","has coordinates","147862","2020-10-21","18:00:00",""
"4123969","9.6517","","9.6517","","13.048","","90","","90","","120","","1052.65","","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","Sr6 Rh5 O15","","- O15 Rh5 Sr6 -","- O15 Rh5 Sr6 -","- O45 Rh15 Sr18 -","3","0.166667","","Stitzer, K.E.; Darriet, J.; El Abed, A.; zur Loye, H.C.","Growth of Sr6 Rh5 O15 single crystals from high-temperature solutions: structure determination using the traditional 3-D and the 4-D superspace group methods and magnetic measurements on oriented single crystals","Journal of the American Chemical Society","2001","123","","8790","8796","","","","","","","","","","","","","","","","","","","","","","has coordinates","147931","2020-10-21","18:00:00",""
"4123970","9.6517","","9.6517","","2.6096","","90","","90","","120","","210.529","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Sr6 Rh5 O15","","- O14.994 Rh4.998 -","- O14.994 Rh4.998 -","- O14.994 Rh4.998 -","1","0.0277778","","Stitzer, K.E.; El Abed, A.; zur Loye, H.C.; Darriet, J.","Growth of Sr6 Rh5 O15 single crystals from high-temperature solutions: structure determination using the traditional 3-D and the 4-D superspace group methods and magnetic measurements on oriented single crystals","Journal of the American Chemical Society","2001","123","","8790","8796","","","","","","","","","","","","","","","","","","","","","","has coordinates","147933","2020-10-21","18:00:00",""
"4123971","9.6517","","9.6517","","4.3493","","90","","90","","120","","350.879","","","","","","","","","","","","","1","P -3 c 1","-P 3 2""c","165","","Sr6 Rh5 O15","","- Sr6 -","- Sr6 -","- Sr6 -","1","0.0833333","","Stitzer, K.E.; El Abed, A.; Darriet, J.; zur Loye, H.C.","Growth of Sr6 Rh5 O15 single crystals from high-temperature solutions: structure determination using the traditional 3-D and the 4-D superspace group methods and magnetic measurements on oriented single crystals","Journal of the American Chemical Society","2001","123","","8790","8796","","","","","","","","","","","","","","","","","","","","","","has coordinates","147935","2020-10-21","18:00:00",""
"4123972","10.913","","12.654","","16.675","","90","","104.715","","90","","2227.18","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(N5) (Sb2 F11)","","- F11 N5 Sb2 -","- F11 N5 Sb2 -","- F88 N40 Sb16 -","8","1","","Vij, A.; Wilson, W.W.; Vij, V.; Sheehy, J.A.; Tham, F.S.; Christe, K.O.","Polynitrogen chemistry. Synthesis, characterization, and crystal structure of surprisingly stable fluoroantimonate salts of (N5)(+)","Journal of the American Chemical Society","2001","123","","6308","6313","","","","","","","","","","","","","","","","","","","","","","has coordinates","148172","2020-10-21","18:00:00",""
"4123973","15.6856","","3.8307","","20.7098","","90","","113.056","","90","","1144.99","","","","","","","","","","","","","2","A 1 2/m 1","-A 2y","12","","","","- Nb12 O29 -","- Nb12 O29 -","- Nb24 O58 -","2","0.25","","Waldron, J.E.L.; Green, M.A.; Neumann, D.A.","Charge and spin ordering in monoclinic Nb12 O29","Journal of the American Chemical Society","2001","123","","5833","5834","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4123974","42.122","","42.122","","16.703","","90","","90","","90","","29635.5","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","(Cd4 In16 S33) ((C5 H9 N H)2 (C H2)3)","","- Cd4 In16 S33 -","- Cd4 In16 S33 -","- Cd32 In128 S264 -","8","0.5","","Wang, C.; Li, Y.-Q.; Bu Xianhui; Zheng, N.-F.; Feng, P.-Y.; Zivkovic, O.; Yang, C.-S.","Three-dimensional superlattices built from (M4 In16 S33)(10-) (M= Mn, Co, Zn, Cd) supertetrahedral clusters","Journal of the American Chemical Society","2001","123","","11506","11507","","","","","","","","","","","","","","","","","","","","","","has coordinates","148193","2020-10-21","18:00:00",""
"4123975","41.811","","41.811","","16.685","","90","","90","","90","","29168","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","(Zn4 In16 S33) ((C5 H9 N H)2 (C H2)3)","","- In16 S33 Zn4 -","- In16 S33 Zn4 -","- In128 S264 Zn32 -","8","0.5","","Wang, C.; Li, Y.-Q.; Bu Xianhui; Zheng, N.-F.; Zivkovic, O.; Yang, C.-S.; Feng, P.-Y.","Three-dimensional superlattices built from (M4 In16 S33)(10-) (M = Mn, Co, Zn, Cd) supertetrahedral clusters","Journal of the American Chemical Society","2001","123","","11506","11507","","","","","","","","","","","","","","","","","","","","","","has coordinates","148194","2020-10-21","18:00:00",""
"4123976","41.698","","41.698","","16.673","","90","","90","","90","","28989.7","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","(Co4 In16 S33) ((C5 H9 N H)2 (C H2)3)","","- Co4 In16 S33 -","- Co4 In16 S33 -","- Co32 In128 S264 -","8","0.5","","Wang, C.; Li, Y.-Q.; Bu Xianhui; Feng, P.-Y.; Zheng, N.-F.; Zivkovic, O.; Yang, C.-S.","Three-dimensional superlattices built from (M4 In16 S33)(10-) (M = Mn, Co, Zn, Cd) supertetrahedral clusters","Journal of the American Chemical Society","2001","123","","11506","11507","","","","","","","","","","","","","","","","","","","","","","has coordinates","148195","2020-10-21","18:00:00",""
"4123977","23.58","","23.58","","43.922","","90","","90","","90","","24421.4","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","(Zn4 In16 S33) ((N2 C4 H8) ((N H2) C3 H6)2)","","- In16 S33 Zn4 -","- In16 S33 Zn4 -","- In128 S264 Zn32 -","8","0.25","","Wang, C.; Li, Y.-Q.; Feng, P.-Y.; Zheng, N.-F.; Zivkovic, O.; Yang, C.-S.; Bu Xianhui","Three-dimensional superlattices built from (M4 In16 S33)(10-) (M = Mn, Co, Zn, Cd) supertetrahedral clusters","Journal of the American Chemical Society","2001","123","","11506","11507","","","","","","","","","","","","","","","","","","","","","","has coordinates","148196","2020-10-21","18:00:00",""
"4123978","8.46","","11.34","","5.31","","90","","90","","96.1","","506.538","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","H I Cl4 (H2 O)4","","- Cl4 H9 I O4 -","- Cl4 I O4 -","- Cl8 I2 O8 -","2","0.5","","Bateman, R.J.; Bateman, L.R.","Solid-state structure, nuclear quadrupole resonance spectrum, and the resultant symmetry implications for tetrachloro- iodic acid tetrahydrate","Journal of the American Chemical Society","1972","94","","1130","1134","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123979","7.49","","7.49","","13.24","","90","","90","","90","","742.765","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","U (B H4)4","","- B4 H16 U -","- B4 U -","- B16 U4 -","4","0.5","","Bernstein, E.R.; Keiderling, T.A.; Lippard, S.J.; Mayerle, J.J.","Structure of uranium borohydride by single-crystal X-Ray diffraction","Journal of the American Chemical Society","1972","94","","2552","2553","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123980","16.627","","9.582","","19.446","","90","","120.58","","90","","2667.25","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","H2 Ru6 (C O)18","","- C18 H2 O18 Ru6 -","- C18 O18 Ru6 -","- C72 O72 Ru24 -","4","1","","Churchill, M.R.; Wormald, J.","Crystal structure and molecular geometry of octadecacarbonylhexaruthenium dihydride","Journal of the American Chemical Society","1971","93","","5670","5677","","","","","","","","","","","","","","","","","","","","","","has coordinates","148687","2020-10-21","18:00:00",""
"4123981","12.3","","12.57","","6.98","","90","","90","","109.96","","1014.36","","","","","","","","","","","","","4","P 1 1 21/n","-P 2n","14","","Fe (N O)2 I","","- Fe I N2 O2 -","- Fe I N2 O2 -","- Fe8 I8 N16 O16 -","8","2","","Dahl, L.F.; Feltham, R.D.; de Gil, E.R.","The solid-state structures of dinitrosyliron iodide and dinitrosylcobalt iodide: the stereochemical consequences of strong metal-metal interactions in ligand-bridged complexes","Journal of the American Chemical Society","1969","91","","1653","1664","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123982","10.58","","12.66","","3.86","","90","","90","","90","","517.019","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Co (N O)2 I","","- Co I N2 O2 -","- Co I N2 O2 -","- Co4 I4 N8 O8 -","4","0.5","","Dahl, L.F.; de Gil, E.R.; Feltham, R.D.","The solid-state structures of dinitrosyliron iodide and dinitrosylcobalt iodide: the stereochemical consequences of strong metal-metal interactions in ligand-bridged complexes","Journal of the American Chemical Society","1969","91","","1653","1664","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123983","5.276","","5.276","","5.276","","90","","90","","90","","146.864","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Sn Ta3 -","- Sn Ta3 -","- Sn2 Ta6 -","2","0.0416667","","Geller, S.; Goldstein, R.; Matthias, B.T.","Some new intermetallic compounds with the beta.-wolfram structure","Journal of the American Chemical Society","1955","77","","1502","1504","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4123984","4.43","","4.43","","8.893","","90","","90","","90","","174.524","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Ba Ni S2 -","- Ba Ni S2 -","- Ba2 Ni2 S4 -","2","0.125","","Grey, I.E.; Steinfink, H.","Crystal structure and properties of barium nickel sulfide, a square-pyramidal nickel(II) compound","Journal of the American Chemical Society","1970","92","","5093","5095","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4123985","8.74","","9.84","","12.61","","90","","90","","90","","1084.48","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)3 (Zn Cl4) Cl","","- Cl5 H12 N3 Zn -","- Cl5 H12 N3 Zn -","- Cl20 H48 N12 Zn4 -","4","0.5","","Klug, H.P.; Alexander, L.","The Crystal Structure of Ammonium Pentachlorozincate","Journal of the American Chemical Society","1944","66","","1056","1064","","","","","","","","","","","","","","","","","","","","","","has coordinates","189055","2020-10-21","18:00:00",""
"4123986","13.371","","10.398","","13.556","","90","","119.16","","90","","1645.85","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ni (B9 C2 H11)2","","- C4 H22 B18 Ni -","- C4 H22 B18 Ni -","- C16 H88 B72 Ni4 -","4","1","","St.Clair, D.; Zalkin, A.; Templeton, D.H.","The crystal structure of 3,3'-commo-bis(undecahydro-1,2dicarba-3-nickela-closo-dodec borane), a nickel(IV) complex of the dicarbollide ion","Journal of the American Chemical Society","1970","92","","1173","1179","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123987","8.096","","17.19","","7.437","","90","","90","","90","","1035.01","","","","","","","","","","","","","6","A m a m","-A 2 2a","63","","Cs2 Ru Cl4 H2 O C O","","- C H2 Cl4 Cs2 O2 Ru -","- C Cl4 Cs2 O2 Ru -","- C4 Cl16 Cs8 O8 Ru4 -","4","0.25","","Stanko, J.A.; Chaipayungpundhu, S.","Crystal structure of cesium trans-tetrachloroaquocarbonylruthenate(II)","Journal of the American Chemical Society","1970","92","","5580","5585","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123988","9.56","","13.12","","13.38","","109.83","","107.62","","97.52","","1452.69","","","","","","","","","","","","","5","P -1","-P 1","2","","Fe Co2 (C O)9 S","","- C9 Co2 Fe O9 S -","- C9 Co1.998 Fe0.999 O9 S -","- C36 Co7.992 Fe3.996 O36 S4 -","4","2","","Stevenson, D.L.; Wei, C.H.; Dahl, L.F.","XXI. Stereochemical analysis of the mixed-metal Fe Co2 (C O)9 S cluster system and resulting bond-length evidence for antibonding trimetal character of the unpaired electron in the isostructural Co3 (C O)9 S cluster system","Journal of the American Chemical Society","1971","93","","6027","6031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123989","9.503","","13.9184","","14.1229","","114.317","","117.752","","84.556","","1495.55","","","","","","","","","","","","","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","(Co3 (C O)9) Se","","- C9 Co3 O9 Se -","- C9 Co3 O9 Se -","- C36 Co12 O36 Se4 -","4","","","Strouse, C.E.; Dahl, L.F.","XXII. Syntheses and structural analyses by X-ray diffraction and electron spin resonance single-crystal methods of Co3 (C O)9 Se, Fe Co2 (C O)9 Se and Fe Co2 (C O)9 Te. The antibonding metallic nature of an unpaired electron in ...","Journal of the American Chemical Society","1971","93","","6032","6041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123990","9.4595","","13.8419","","14.0908","","114.005","","117.66","","84.608","","1482.52","","","","","","","","","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","(Fe Co2 (C O)9) Se","","- C9 Co2 Fe O9 Se -","- C9 Co1.998 Fe0.999 O9 Se -","- C36 Co7.992 Fe3.996 O36 Se4 -","4","","","Strouse, C.E.; Dahl, L.F.","XXII. Syntheses and structural analyses by x-ray diffraction and electron spin resonance single-crystal methods of Co3 (C O)9 Se, Fe Co2 (C O)9 Se and Fe Co2 (C O)9 Te. The antibonding metallic nature of an unpaired electron in ...","Journal of the American Chemical Society","1971","93","","6032","6041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123991","8.773","","15.205","","14.578","","117.29","","118.73","","78.42","","1514.94","","","","","","","","","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","(Fe Co2 (C O)9) Te","","- C9 Co2 Fe O9 Te -","- C9 Co1.998 Fe0.999 O9 Te -","- C36 Co7.992 Fe3.996 O36 Te4 -","4","","","Strouse, C.E.; Dahl, L.F.","XXII. Syntheses and structural analyses by x-ray diffraction and electron spin resonance single-crystal methods of Co3 (C O)9 Se, Fe Co2 (C O)9 Se and Fe Co2 (C O)9 Te. The antibonding metallic nature of an unpaired electron in ...","Journal of the American Chemical Society","1971","93","","6032","6041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123992","13.6","","6.81","","11.77","","90","","90","","90","","1090.09","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","((H2 N)2 (Fe (C O)3)2)","","- C6 H4 Fe2 N2 O6 -","- C6 Fe2 N2 O6 -","- C24 Fe8 N8 O24 -","4","1","","Bahl, L.F.; Costello, W.R.; King, R.B.","The molecular configuration of (H2 N Fe (C O)3)2 and its Identity with the previously reported (H N Fe (C O)3)2. The influence of bridged ligands on the basic geometry of an organometallic complex containing a strong metal-metal bond","Journal of the American Chemical Society","1968","90","","5422","5429","","","","","","","","","","","","","","","","","","","","","","has coordinates","150428","2020-10-21","18:00:00",""
"4123993","9.8906","","5.8222","","10.0467","","90","","108.303","","90","","549.271","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Bi Sc O3","","- Bi O3 Sc -","- Bi O3 Sc -","- Bi8 O24 Sc8 -","8","2","","Belik, A.A.; Shamoto, S.; Kodama, K.; Igawa, N.; Iikubo, S.; Takayama-Muromachi, E.; Maie, M.; Matsui, Y.; Stefanovich, S.Yu.; Nagai, T.; Lazoryak, B.I.","Bi Sc O3: Centrosymmetric Bi Mn O3-type oxide","Journal of the American Chemical Society","2006","128","","706","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123994","7.06","","12.02","","5.58","","90","","90","","90","","473.525","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","K S O3 N H O H","","- H2 K N O4 S -","- K N O4 S -","- K4 N4 O16 S4 -","4","1","","Belt, R.F.; Baenziger, N.C.","The Crystal Structure of Potassium Hydroxylamine-N-sulfonate","Journal of the American Chemical Society","1957","79","","316","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123995","5.4698","","6.3435","","20.5471","","90","","91.709","","90","","712.62","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Co5 (O H)6 (S O4)2 (H2 O)4","","- Co5 H14 O18 S2 -","- Co5 H14 O18 S2 -","- Co10 H28 O36 S4 -","2","0.5","","Ben Salah, M.; Vilminot, S.; Kurmoo, M.; Andre, G.; Takagi, S.; Mhiri, T.; Richard-Plouet, M.","Nuclear and magnetic structures and magnetic properties of the layered cobalt hydroxysulfate Co5 (O H)6 (S O4)2 (H2 O)4 and its deuterated analogue, Co5 (O D)6 (S O4)2 (D2 O)4","Journal of the American Chemical Society","2006","128","","7972","7981","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123996","5.4698","","6.3435","","20.5471","","90","","91.709","","90","","712.62","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Co5 (O D0.92 H0.08)6 (S O4)2 ((D.92 H0.08)2 O)4","","- Co5 D12.88 H1.12 O18 S2 -","- Co5 D12.81 H1.19 O18 S2 -","- Co10 D25.62 H2.38 O36 S4 -","2","0.5","","Ben Salah, M.; Kurmoo, M.; Vilminot, S.; Richard-Plouet, M.; Andre, G.; Takagi, S.; Mhiri, T.","Nuclear and magnetic structures and magnetic properties of the layered cobalt hydroxysulfate Co5 (O H)6 (S O4)2 (H2 O)4 and its deuterated analogue, Co5 (O D)6 (S O4)2 (D2 O)4","Journal of the American Chemical Society","2006","128","","7972","7981","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123997","4.3932","","4.3932","","4.699","","90","","90","","120","","78.541","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Sr Ga2 D2","","- D2 Ga2 Sr -","- D2 Ga2 Sr -","- D2 Ga2 Sr -","1","0.0833333","","Bjoerling, T.; Haeussermann, U.","Polyanionic hydrides from polar intermetallics Ae E2 (Ae = Ca, Sr, Ba; E = Al, Ga, In)","Journal of the American Chemical Society","2006","128","","817","824","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123998","4.5286","","4.5286","","4.8991","","90","","90","","120","","87.011","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Ba Ga2 D2","","- Ba D2 Ga2 -","- Ba D2 Ga2 -","- Ba D2 Ga2 -","1","0.0833333","","Bjoerling, T.; Haeussermann, U.","Polyanionic hydrides from polar intermetallics Ae E2 (Ae = Ca, Sr, Ba; E = Al, Ga, In)","Journal of the American Chemical Society","2006","128","","817","824","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123999","11.0342","","11.0342","","11.8797","","90","","90","","90","","1446.4","","","","","","","","","","","","","4","P 1","P 1","1","","H2 Si Ti2 O7 (H2 O)2","","- H6 O9 Si Ti2 -","- H6 O9 Si Ti2 -","- H48 O72 Si8 Ti16 -","8","8","","Celestian, A.J.; Kubicki, J.D.; Parise, J.B.; Clearfield, A.; Hanson, J.","The mechanism responsible for extraordinary Cs ion selectivity in crystalline silicotitanate","Journal of the American Chemical Society","2008","130","","11689","11694","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124000","11.0342","","11.0342","","11.8797","","90","","90","","90","","1446.4","","","","","","","","","","","","","5","P 1","P 1","1","","Cs1 H Si Ti2 O7 (H2 O)","","- Cs H3 O8 Si Ti2 -","- Cs H3 O8 Si Ti2 -","- Cs8 H24 O64 Si8 Ti16 -","8","8","","Celestian, A.J.; Kubicki, J.D.; Hanson, J.; Parise, J.B.; Clearfield, A.","The mechanism responsible for extraordinary Cs ion selectivity in crystalline silicotitanate","Journal of the American Chemical Society","2008","130","","11689","11694","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124001","10.0046","","5.75362","","15.1839","","90","","103.27","","90","","850.689","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ba Ir O3 -","- Ba Ir O3 -","- Ba12 Ir12 O36 -","12","1.5","","Cheng Jinguang; Alonso, J.A.; Suard, E.; Goodenough, J.B.; Zhou Jianshi","A new perovskite polytype in the high-pressure sequence of Ba Ir O3","Journal of the American Chemical Society","2009","131","","7461","7469","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124002","9.9554","","5.7434","","13.8049","","90","","119.231","","90","","688.819","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ba Ir O2.94 -","- Ba Ir O2.9384 -","- Ba10 Ir10 O29.384 -","10","1.25","","Cheng Jinguang; Alonso, J.A.; Zhou Jianshi; Suard, E.; Goodenough, J.B.","A new perovskite polytype in the high-pressure sequence of Ba Ir O3","Journal of the American Chemical Society","2009","131","","7461","7469","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124003","5.7483","","9.939","","14.3582","","90","","91.319","","90","","820.1","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ba Ir O3 -","- Ba Ir O3 -","- Ba12 Ir12 O36 -","12","1.5","","Cheng Jinguang; Alonso, J.A.; Zhou Jianshi; Suard, E.; Goodenough, J.B.","A new perovskite polytype in the high-pressure sequence of Ba Ir O3","Journal of the American Chemical Society","2009","131","","7461","7469","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124004","4.0611","","4.0611","","4.0611","","90","","90","","90","","66.978","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ba Ir O3 -","- Ba Ir O3 -","- Ba Ir O3 -","1","0.0208333","","Cheng Jinguang; Alonso, J.A.; Suard, E.; Zhou Jianshi; Goodenough, J.B.","A new perovskite polytype in the high-pressure sequence of Ba Ir O3","Journal of the American Chemical Society","2009","131","","7461","7469","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124005","5.04309","","5.04309","","10.2262","","90","","90","","90","","260.08","","","","","","","","","","","","","3","I -4","I -4","82","","Li N H2","","- H2 Li N -","- H2 Li N -","- H16 Li8 N8 -","8","1","","David, W.I.F.; Jones, M.O.; Gregory, D.H.; Jewell, C.M.; Edwards, P.P.; Johnson, S.R.; Walton, A.","A mechanism for non-stoichiometry in the lithium amide/lithium imide hydrogen storage reaction","Journal of the American Chemical Society","2007","129","","1594","1601","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124006","5.0713","","5.0713","","5.0713","","90","","90","","90","","130.424","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li1.08 N H1.92","","- H1.92 Li1.08 N -","- Li1.0792 N -","- Li4.3168 N4 -","4","0.0208333","","David, W.I.F.; Jones, M.O.; Johnson, S.R.; Gregory, D.H.; Jewell, C.M.; Edwards, P.P.; Walton, A.","A mechanism for non-stoichiometry in the lithium amide/lithium imide hydrogen storage reaction","Journal of the American Chemical Society","2007","129","","1594","1601","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124007","5.318","","5.318","","5.318","","90","","90","","90","","150.399","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li1.40 N H1.60","","- H1.6 Li1.4 N -","- Li1.399 N -","- Li5.596 N4 -","4","0.0208333","","David, W.I.F.; Gregory, D.H.; Jones, M.O.; Jewell, C.M.; Walton, A.; Johnson, S.R.; Edwards, P.P.","A mechanism for non-stoichiometry in the lithium amide/lithium imide hydrogen storage reaction","Journal of the American Chemical Society","2007","129","","1594","1601","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124008","5.0628","","5.0628","","5.0628","","90","","90","","90","","129.769","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li1.23 N H1.77","","- H1.77 Li1.23 N -","- Li1.2312 N -","- Li4.9248 N4 -","4","0.0208333","","David, W.I.F.; Jewell, C.M.; Gregory, D.H.; Jones, M.O.; Johnson, S.R.; Walton, A.; Edwards, P.P.","A mechanism for non-stoichiometry in the lithium amide/lithium imide hydrogen storage reaction","Journal of the American Chemical Society","2007","129","","1594","1601","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124009","5.0418","","5.0418","","5.0418","","90","","90","","90","","128.161","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li1.39 N H1.61","","- H1.61 Li1.39 N -","- Li1.388 N -","- Li5.552 N4 -","4","0.0208333","","David, W.I.F.; Jones, M.O.; Jewell, C.M.; Gregory, D.H.; Johnson, S.R.; Walton, A.; Edwards, P.P.","A mechanism for non-stoichiometry in the lithium amide/lithium imide hydrogen storage reaction","Journal of the American Chemical Society","2007","129","","1594","1601","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124010","5.0207","","5.0207","","5.0207","","90","","90","","90","","126.559","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li1.54 N H1.46","","- H1.46 Li1.54 N -","- Li1.5448 N -","- Li6.1792 N4 -","4","0.0208333","","David, W.I.F.; Jones, M.O.; Gregory, D.H.; Johnson, S.R.; Jewell, C.M.; Walton, A.; Edwards, P.P.","A mechanism for non-stoichiometry in the lithium amide/lithium imide hydrogen storage reaction","Journal of the American Chemical Society","2007","129","","1594","1601","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124011","4.9996","","4.9996","","4.9996","","90","","90","","90","","124.97","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li1.70 N H1.30","","- H1.3 Li1.7 N -","- Li1.7016 N -","- Li6.8064 N4 -","4","0.0208333","","David, W.I.F.; Gregory, D.H.; Jones, M.O.; Jewell, C.M.; Johnson, S.R.; Edwards, P.P.; Walton, A.","A mechanism for non-stoichiometry in the lithium amide/lithium imide hydrogen storage reaction","Journal of the American Chemical Society","2007","129","","1594","1601","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124012","12.46","","7.161","","9.171","","90","","90","","90","","818.292","","","","","","","","","","","","","7","P m n a","-P 2ac 2","53","","Na K3 Mo O2 (C N)4 (H2 O)6","","- C4 H12 K3 Mo N4 Na O8 -","- C4 K3 Mo N4 Na O8 -","- C8 K6 Mo2 N8 Na2 O16 -","2","0.25","","Day, V.W.; Hoard, J.L.","The Structure of the trans-Dioxotetracyanomolybdate(IV) Ion in the Crystalline Salt Na K3 Mo O2 (C N)4 (H2 O)6","Journal of the American Chemical Society","1968","90","","3374","3379","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124013","4.2221","","4.2221","","4.9691","","90","","90","","120","","76.712","","","","","","","","","","","","","4","P 3 m 1","P 3 -2""","156","","Sr Ga Ge D","","- D Ga Ge Sr -","- D Ga Ge Sr -","- D Ga Ge Sr -","1","0.166667","","Evans, M.J.; Garcia-Garcia, F.J.; Holland, G.P.; Haeussermann, U.","Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)","Journal of the American Chemical Society","2008","130","","12139","12147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124014","4.2776","","4.2776","","5.1948","","90","","90","","120","","82.319","","","","","","","","","","","","","4","P 3 m 1","P 3 -2""","156","","Ba (Ga Si) D","","- Ba D Ga Si -","- Ba D Ga Si -","- Ba D Ga Si -","1","0.166667","","Evans, M.J.; Holland, G.P.; Garcia-Garcia, F.J.; Haeussermann, U.","Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)","Journal of the American Chemical Society","2008","130","","12139","12147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124015","4.3344","","4.3344","","5.1895","","90","","90","","120","","84.433","","","","","","","","","","","","","4","P 3 m 1","P 3 -2""","156","","Ba Ga Ge D","","- Ba D Ga Ge -","- Ba D Ga Ge -","- Ba D Ga Ge -","1","0.166667","","Evans, M.J.; Garcia-Garcia, F.J.; Holland, G.P.; Haeussermann, U.","Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)","Journal of the American Chemical Society","2008","130","","12139","12147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124016","4.559","","4.559","","5.298","","90","","90","","120","","95.363","","","","","","","","","","","","","4","P 3 m 1","P 3 -2""","156","","Ba Ga Sn D","","- Ba D Ga Sn -","- Ba D Ga Sn -","- Ba D Ga Sn -","1","0.166667","","Evans, M.J.; Holland, G.P.; Garcia-Garcia, F.J.; Haeussermann, U.","Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)","Journal of the American Chemical Society","2008","130","","12139","12147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124017","4.0911","","4.0911","","4.7628","","90","","90","","120","","69.036","","","","","","","","","","","","","4","P 3 m 1","P 3 -2""","156","","Ca Ga Si H","","- Ca Ga H Si -","- Ca Ga H Si -","- Ca Ga H Si -","1","0.166667","","Evans, M.J.; Holland, G.P.; Garcia-Garcia, F.J.; Haeussermann, U.","Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)","Journal of the American Chemical Society","2008","130","","12139","12147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124018","4.1509","","4.1509","","4.7995","","90","","90","","120","","71.616","","","","","","","","","","","","","4","P 3 m 1","P 3 -2""","156","","","","- Ca Ga Ge H -","- Ca Ga Ge H -","- Ca Ga Ge H -","1","0.166667","","Evans, M.J.; Holland, G.P.; Garcia-Garcia, F.J.; Haeussermann, U.","Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)","Journal of the American Chemical Society","2008","130","","12139","12147","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124019","4.3852","","4.3852","","4.9679","","90","","90","","120","","82.734","","","","","","","","","","","","","4","P 3 m 1","P 3 -2""","156","","Ca Ga Sn H","","- Ca Ga H Sn -","- Ca Ga H Sn -","- Ca Ga H Sn -","1","0.166667","","Evans, M.J.; Holland, G.P.; Haeussermann, U.; Garcia-Garcia, F.J.","Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)","Journal of the American Chemical Society","2008","130","","12139","12147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124020","4.1881","","4.1881","","5.0025","","90","","90","","120","","75.989","","","","","","","","","","","","","4","P 3 m 1","P 3 -2""","156","","Sr Ga Si H","","- Ga H Si Sr -","- Ga H Si Sr -","- Ga H Si Sr -","1","0.166667","","Evans, M.J.; Holland, G.P.; Garcia-Garcia, F.J.; Haeussermann, U.","Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)","Journal of the American Chemical Society","2008","130","","12139","12147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124021","4.2502","","4.2502","","5.0207","","90","","90","","120","","78.544","","","","","","","","","","","","","4","P 3 m 1","P 3 -2""","156","","Sr Ga Ge H","","- Ga Ge H Sr -","- Ga Ge H Sr -","- Ga Ge H Sr -","1","0.166667","","Evans, M.J.; Haeussermann, U.; Holland, G.P.; Garcia-Garcia, F.J.","Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)","Journal of the American Chemical Society","2008","130","","12139","12147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124022","4.4829","","4.4829","","5.1912","","90","","90","","120","","90.348","","","","","","","","","","","","","4","P 3 m 1","P 3 -2""","156","","Sr Ga Sn H","","- Ga H Sn Sr -","- Ga H Sn Sr -","- Ga H Sn Sr -","1","0.166667","","Evans, M.J.; Haeussermann, U.; Garcia-Garcia, F.J.; Holland, G.P.","Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)","Journal of the American Chemical Society","2008","130","","12139","12147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124023","4.3015","","4.3015","","5.2703","","90","","90","","120","","84.451","","","","","","","","","","","","","4","P 3 m 1","P 3 -2""","156","","Ba Ga Si H","","- Ba Ga H Si -","- Ba Ga H Si -","- Ba Ga H Si -","1","0.166667","","Evans, M.J.; Holland, G.P.; Haeussermann, U.; Garcia-Garcia, F.J.","Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)","Journal of the American Chemical Society","2008","130","","12139","12147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124024","4.3758","","4.3758","","5.2687","","90","","90","","120","","87.367","","","","","","","","","","","","","4","P 3 m 1","P 3 -2""","156","","","","- Ba Ga Ge H -","- Ba Ga Ge H -","- Ba Ga Ge H -","1","0.166667","","Evans, M.J.; Holland, G.P.; Garcia-Garcia, F.J.; Haeussermann, U.","Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)","Journal of the American Chemical Society","2008","130","","12139","12147","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124025","4.5914","","4.5914","","5.4257","","90","","90","","120","","99.055","","","","","","","","","","","","","4","P 3 m 1","P 3 -2""","156","","Ba Ga Sn H","","- Ba Ga H Sn -","- Ba Ga H Sn -","- Ba Ga H Sn -","1","0.166667","","Evans, M.J.; Holland, G.P.; Haeussermann, U.; Garcia-Garcia, F.J.","Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)","Journal of the American Chemical Society","2008","130","","12139","12147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124026","9.6479","","10.4721","","9.3","","90","","90","","90","","939.614","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K (C F3)3 B N C","","- C4 B F9 K N -","- C4 B F9 K N -","- C16 B4 F36 K4 N4 -","4","0.5","","Finze, M.; Bernhardt, E.; Willner, H.; Lehmann, C.W.","Cyano-and isocyanotris(trifluoromethyl)borates: syntheses, spectroscopic properties, and solid state structures of K [(C F3)3 B C N] and K [(C F3)3 B N C]","Journal of the American Chemical Society","2005","127","","10712","10722","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124085","6.7172","","6.7172","","7.5196","","90","","90","","120","","293.834","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","Ag3 (Fe (C N)6)","","- C6 Ag3 Fe N6 -","- C6 Ag3 Fe N6 -","- C6 Ag3 Fe N6 -","1","0.0833333","","Goodwin, A.L.; Keen, D.A.; Dove, M.T.; Tucker, M.G.; Peters, L.; Evans, J.S.O.","Argentophilicity-dependent colossal thermal expansion in extended Prussian blue analogues","Journal of the American Chemical Society","2008","130","","9660","9661","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124086","6.41294","","6.41294","","5.71973","","90","","90","","120","","203.714","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","D3 (Co (C N)6)","","- C6 Co D3 N6 -","- C6 Co D3 N6 -","- C6 Co D3 N6 -","1","0.0833333","","Goodwin, A.L.; Dove, M.T.; Tucker, M.G.; Keen, D.A.; Evans, J.S.O.; Peters, L.","Argentophilicity-dependent colossal thermal expansion in extended Prussian blue analogues","Journal of the American Chemical Society","2008","130","","9660","9661","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124087","3.804","","9.6486","","9.8688","","90","","90","","90","","362.217","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ti2.85 O4 N","","- N O4 Ti2.85 -","- N O4 Ti2.849 -","- N4 O16 Ti11.396 -","4","0.25","","Hyett, G.; Green, M.A.; Parkin, I.P.","The use of combinatorial chemical vapor deposition in the synthesis of Ti(3-delta) O4 N with 0.06 < delta < 0.25: a titanium oxynitride phase isostructural to anosovite","Journal of the American Chemical Society","2007","129","","15541","15548","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124088","13.7948","","13.7061","","6.5916","","90","","90","","90","","1246.29","","","","","","","","","","","","","5","I 21 21 21","I 2b 2c","24","","K8.16 Ga8.2 Si11.8 O40 (H2 O)11.5","","- Ga8.2 H23 K8.16 O51.5 Si11.8 -","- Ga8.2 K8.16 O51.52 Si11.8 -","- Ga8.2 K8.16 O51.52 Si11.8 -","1","0.125","","Lee Yongjae; Celestian, A.J.; Kim Sun Jin; Bull, I.; Kao Chichang; Parise, J.B.; Vogt, T.","Dehydration-induced water disordering in a synthetic potassium gallosilicate natrolite","Journal of the American Chemical Society","2007","129","","13744","13748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124089","13.7298","","13.5815","","6.5589","","90","","90","","90","","1223.05","","","","","","","","","","","","","5","I 21 21 21","I 2b 2c","24","","K8 Ga8.2 Si11.8 O40 (H2 O)11.3","","- Ga8.2 H22.6 K8 O51.3 Si11.8 -","- Ga8.2 K8 O51.28 Si11.8 -","- Ga8.2 K8 O51.28 Si11.8 -","1","0.125","","Lee Yongjae; Kim Sun Jin; Bull, I.; Kao Chichang; Celestian, A.J.; Parise, J.B.; Vogt, T.","Dehydration-induced water disordering in a synthetic potassium gallosilicate natrolite","Journal of the American Chemical Society","2007","129","","13744","13748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124090","13.7587","","13.655","","6.5728","","90","","90","","90","","1234.86","","","","","","","","","","","","","5","I 21 21 21","I 2b 2c","24","","K8 Ga8.2 Si11.8 O40 (H2 O)11.6","","- Ga8.2 H23.2 K8 O51.6 Si11.8 -","- Ga8.2 K8 O51.6 Si11.8 -","- Ga8.2 K8 O51.6 Si11.8 -","1","0.125","","Lee Yongjae; Kim Sun Jin; Celestian, A.J.; Bull, I.; Parise, J.B.; Kao Chichang; Vogt, T.","Dehydration-induced water disordering in a synthetic potassium gallosilicate natrolite","Journal of the American Chemical Society","2007","129","","13744","13748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124091","13.7026","","13.7026","","6.56","","90","","90","","90","","1231.71","","","","","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","K8.32 Ga8.2 Si11.8 O40 (H2 O)9.8","","- Ga8.2 H19.6 K8.32 O49.8 Si11.8 -","- Ga8.2 K8.32 O49.84 Si11.8 -","- Ga8.2 K8.32 O49.84 Si11.8 -","1","0.0625","","Lee Yongjae; Kim Sun Jin; Celestian, A.J.; Bull, I.; Parise, J.B.; Kao Chichang; Vogt, T.","Dehydration-induced water disordering in a synthetic potassium gallosilicate natrolite","Journal of the American Chemical Society","2007","129","","13744","13748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124092","13.6873","","13.6873","","6.5445","","90","","90","","90","","1226.06","","","","","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","K8.08 Ga8.2 Si11.8 O40 (H2 O)8.6","","- Ga8.2 H17.2 K8.08 O48.6 Si11.8 -","- Ga8.2 K8.08 O48.56 Si11.8 -","- Ga8.2 K8.08 O48.56 Si11.8 -","1","0.0625","","Lee Yongjae; Vogt, T.; Bull, I.; Celestian, A.J.; Kim Sun Jin; Parise, J.B.; Kao Chichang","Dehydration-induced water disordering in a synthetic potassium gallosilicate natrolite","Journal of the American Chemical Society","2007","129","","13744","13748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124093","12.7372","","12.7372","","6.563","","90","","90","","90","","1064.76","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","K7.36 Ga8.2 Si11.8 O40","","- Ga8.2 K7.36 O40 Si11.8 -","- Ga8.2 K7.36 O40 Si11.8 -","- Ga8.2 K7.36 O40 Si11.8 -","1","0.0625","","Lee Yongjae; Kim Sun Jin; Celestian, A.J.; Bull, I.; Parise, J.B.; Kao Chichang; Vogt, T.","Dehydration-induced water disordering in a synthetic potassium gallosilicate natrolite","Journal of the American Chemical Society","2007","129","","13744","13748","","","","","","","","","","","","","","","","","","","","","","has coordinates","151233","2020-10-21","18:00:00",""
"4124094","10.0668","","10.0668","","9.6466","","90","","90","","90","","977.591","","","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","K5.76 Ga5.76 Si10.24 O32 (H2 O)9.936","","- Ga5.76 H19.872 K5.76 O41.936 Si10.24 -","- Ga5.76 K5.76 O41.936 Si10.24 -","- Ga5.76 K5.76 O41.936 Si10.24 -","1","0.0625","","Lee Yongjae; Kim Sun Jin; Kao Chichang; Vogt, T.","Pressure-induced hydration and order-disorder transition in a synthetic potassium gallosilicate zeolite with gismondine topology","Journal of the American Chemical Society","2008","130","","2842","2850","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124095","10.0517","","10.0517","","9.6148","","90","","90","","90","","971.447","","","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","K5.76 Ga5.76 Si10.24 O32 (H2 O)9.664","","- Ga5.76 H19.328 K5.76 O41.664 Si10.24 -","- Ga5.76 K5.76 O41.664 Si10.24 -","- Ga5.76 K5.76 O41.664 Si10.24 -","1","0.0625","","Lee Yongjae; Kim Sun Jin; Vogt, T.; Kao Chichang","Pressure-induced hydration and order-disorder transition in a synthetic potassium gallosilicate zeolite with gismondine topology","Journal of the American Chemical Society","2008","130","","2842","2850","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124096","10.0548","","10.0548","","9.5433","","90","","90","","90","","964.818","","","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","K5.76 Ga5.76 Si10.24 O32 (H2 O)11.584","","- Ga5.76 H23.168 K5.76 O43.584 Si10.24 -","- Ga5.76 K5.76 O43.584 Si10.24 -","- Ga5.76 K5.76 O43.584 Si10.24 -","1","0.0625","","Lee Yongjae; Kim Sun Jin; Kao Chichang; Vogt, T.","Pressure-induced hydration and order-disorder transition in a synthetic potassium gallosilicate zeolite with gismondine topology","Journal of the American Chemical Society","2008","130","","2842","2850","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124097","10.0835","","10.0835","","9.4084","","90","","90","","90","","956.618","","","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","K5.76 Ga5.76 Si10.24 O32 (H2 O)11.904","","- Ga5.76 H23.808 K5.76 O43.904 Si10.24 -","- Ga5.76 K5.76 O43.904 Si10.24 -","- Ga5.76 K5.76 O43.904 Si10.24 -","1","0.0625","","Lee Yongjae; Kim Sun Jin; Kao Chichang; Vogt, T.","Pressure-induced hydration and order-disorder transition in a synthetic potassium gallosilicate zeolite with gismondine topology","Journal of the American Chemical Society","2008","130","","2842","2850","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124098","10.0741","","10.0741","","9.3033","","90","","90","","90","","944.169","","","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","K5.76 Ga5.76 Si10.24 O32 (H2 O)11.920","","- Ga5.76 H23.84 K5.76 O43.92 Si10.24 -","- Ga5.76 K5.76 O43.92 Si10.24 -","- Ga5.76 K5.76 O43.92 Si10.24 -","1","0.0625","","Lee Yongjae; Kim Sun Jin; Kao Chichang; Vogt, T.","Pressure-induced hydration and order-disorder transition in a synthetic potassium gallosilicate zeolite with gismondine topology","Journal of the American Chemical Society","2008","130","","2842","2850","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124099","10.0621","","10.0621","","9.2185","","90","","90","","90","","933.335","","","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","K5.76 Ga5.76 Si10.24 O32 (H2 O)12.368","","- Ga5.76 H24.736 K5.76 O44.368 Si10.24 -","- Ga5.76 K5.76 O44.368 Si10.24 -","- Ga5.76 K5.76 O44.368 Si10.24 -","1","0.0625","","Lee Yongjae; Kim Sun Jin; Kao Chichang; Vogt, T.","Pressure-induced hydration and order-disorder transition in a synthetic potassium gallosilicate zeolite with gismondine topology","Journal of the American Chemical Society","2008","130","","2842","2850","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124100","8.703","","7.154","","9.315","","90","","97.63","","90","","574.829","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Zn (H C O2)2 (H2 O)2","","- C2 H6 O6 Zn -","- C2 H6 O6 Zn -","- C8 H24 O24 Zn4 -","4","1","","Lipton, A.S.; Smith, M.D.; Adams, R.D.; Ellis, P.D.","67Zn solid-state and single-crystal NMR spectroscopy and x-ray structure of zinc formate dihydrate","Journal of the American Chemical Society","2002","124","","410","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124101","4.3732","","25.973","","4.3849","","90","","90","","90","","498.059","","","","","","","","","","","","","2","C 2 c m","C -2c 2","40","","","","- Ce Te3 -","- Ce Te3 -","- Ce4 Te12 -","4","0.5","","Malliakas, C.; Billinge, S.J.L.; Kim, H.-J.; Kanatzidis, M.G.","Square nets of tellurium: rare-earth dependent variation in the charge-density wave of RE Te3 (RE= rare-earth element)","Journal of the American Chemical Society","2005","127","","6510","6511","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124102","4.3566","","25.888","","4.3606","","90","","90","","90","","491.804","","","","","","","","","","","","","2","C 2 c m","C -2c 2","40","","","","- Pr Te3 -","- Pr Te3 -","- Pr4 Te12 -","4","0.5","","Malliakas, C.; Billinge, S.J.L.; Kanatzidis, M.G.; Kim, H.-J.","Square nets of tellurium: rare-earth dependent variation in the charge-density wave of RETe3 (RE = rare-earth element)","Journal of the American Chemical Society","2005","127","","6510","6511","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124103","4.3469","","25.851","","4.3629","","90","","90","","90","","490.267","","","","","","","","","","","","","2","C 2 c m","C -2c 2","40","","","","- Nd Te3 -","- Nd Te3 -","- Nd4 Te12 -","4","0.5","","Malliakas, C.; Kim, H.-J.; Billinge, S.J.L.; Kanatzidis, M.G.","Square nets of tellurium: rare-earth dependent variation in the charge-density wave of RETe3 (RE = rare-earth element)","Journal of the American Chemical Society","2005","127","","6510","6511","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124104","4.3392","","4.3483","","21.8438","","90","","95.679","","90","","410.129","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Sm2 Te4.9 -","- Sm2 Te4.902 -","- Sm4 Te9.804 -","2","2","","Malliakas, C.D.; Iavarone, M.; Fedor, J.; Kanatzidis, M.G.","Coexistence and coupling of two distinct charge density waves in Sm2 Te5","Journal of the American Chemical Society","2008","130","","3310","3312","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124105","6.0523","","6.0523","","8.02196","","90","","90","","90","","293.847","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","K Cr F3","","- Cr F3 K -","- Cr F3 K -","- Cr4 F12 K4 -","4","0.125","","Margadonna, S.; Karotsis, G.","Cooperative Jahn-Teller distortion, phase transitions, and weak ferromagnetism in the K Cr F3 perovskite","Journal of the American Chemical Society","2006","128","","16435","16437","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124106","5.82642","","5.83517","","8.57547","","90","","90","","93.686","","290.947","","","","","","","","","","","","","3","I 1 1 2/m","-I 2","12","","K Cr F3","","- Cr F3 K -","- Cr F3 K -","- Cr4 F12 K4 -","4","0.5","","Margadonna, S.; Karotsis, G.","Cooperative Jahn-Teller distortion, phase transitions, and weak ferromagnetism in the K Cr F3 perovskite","Journal of the American Chemical Society","2006","128","","16435","16437","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124107","10.201","","10.201","","10.201","","90","","90","","90","","1061.52","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Ga Ta4 Se8","","- Ga Se8 Ta4 -","- Ga Se8 Ta4 -","- Ga4 Se32 Ta16 -","4","0.0416667","","Pocha, R.; Ni, B.; Johrendt, D.; Abd-Elmeguid, M.M.","Crystal structures, electronic properties and pressure induced superconductivity of the tetrahedral cluster compounds Ga Nb4 S8, Ga Nb4 Se8 and Ga Ta4 Se8","Journal of the American Chemical Society","2005","127","","8732","8740","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124108","5.68908","","4.75461","","5.51948","","90","","121.453","","90","","127.361","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Tc O2","","- O2 Tc -","- O2 Tc -","- O8 Tc4 -","4","1","","Rodriguez, E.E.; Poineau, F.; Llobet, A.; Sattelberger, A.P.; Bhattacharjee, J.; Waghmare, U.V.; Hartmann, T.; Cheetham, A.K.","Structural studies of Tc O2 by neutron powder diffraction and first-principles calculation","Journal of the American Chemical Society","2007","129","","10244","10248","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124109","7.0325","","7.0325","","16.6798","","90","","90","","90","","824.917","","","","","","","","","","","","","4","I 41/a m d :1","I 4bw 2bw -1bw","141","","K2 Ce (P O4)2","","- Ce K2 O8 P2 -","- Ce K2 O8 P2 -","- Ce4 K8 O32 P8 -","4","0.125","","Salvado, M.A.; Trobajo, C.; Pertierra, P.; Garcia, J.R.","Crystal structure of a cerium(IV) bis(phosphate) derivative","Journal of the American Chemical Society","2007","129","","10970","10971","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124110","11.78","","18","","14.9","","69.62","","86.7","","65.52","","2681.43","","","","","","","","","","","","","4","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","(S Co3 (C O)7)2 S2","","- C14 Co6 O14 S4 -","- C14 Co6 O14 S4 -","- C56 Co24 O56 S16 -","4","","","Stevenson, D.L.; Dahl, L.F.; Magnuson, V.R.","Organometallic Sulfur Complexes. IX. Structure of a Hexanuclear Cobalt Carbonyl Sulfur Complex, (S Co3 (C O)7)2 S2, Containing a Tetrametal-Coordinated Bridginq Disulfide Group","Journal of the American Chemical Society","1967","89","","3727","3732","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124111","3.99107","","3.99107","","3.47481","","90","","90","","90","","55.349","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Sr Fe O2","","- Fe O2 Sr -","- Fe O2 Sr -","- Fe O2 Sr -","1","0.0625","","Tassel, C.; Watanabe, T.; Tsujimoto, Y.; Takano, M.; Kitada, A.; Sumida, Y.; Hayashi, N.; Yoshimura, K.; Yamamoto, T.; Kageyama, H.","Stability of the infinite layer structure with iron square planar coordination","Journal of the American Chemical Society","2008","130","","3764","3765","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124112","3.95638","","3.95638","","3.42098","","90","","90","","90","","53.548","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Sr0.8 Ca0.2 Fe O2","","- Ca0.2 Fe O2 Sr0.8 -","- Ca0.2 Fe O2 Sr0.8 -","- Ca0.2 Fe O2 Sr0.8 -","1","0.0625","","Tassel, C.; Watanabe, T.; Hayashi, N.; Tsujimoto, Y.; Kitada, A.; Kageyama, H.; Yoshimura, K.; Yamamoto, T.; Sumida, Y.; Takano, M.","Stability of the infinite layer structure with iron square planar coordination","Journal of the American Chemical Society","2008","130","","3764","3765","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124113","3.9578","","3.9578","","3.38003","","90","","90","","90","","52.945","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Sr0.6 Ca0.4 Fe O2","","- Ca0.4 Fe O2 Sr0.6 -","- Ca0.4 Fe O2 Sr0.6 -","- Ca0.4 Fe O2 Sr0.6 -","1","0.0625","","Tassel, C.; Watanabe, T.; Tsujimoto, Y.; Hayashi, N.; Kitada, A.; Sumida, Y.; Yamamoto, T.; Takano, M.; Kageyama, H.; Yoshimura, K.","Stability of the infinite layer structure with iron square planar coordination","Journal of the American Chemical Society","2008","130","","3764","3765","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124114","3.9028","","3.9028","","3.29132","","90","","90","","90","","50.133","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Sr0.2 Ca0.8 Fe O2","","- Ca0.8 Fe O2 Sr0.2 -","- Ca0.8 Fe O2 Sr0.2 -","- Ca0.8 Fe O2 Sr0.2 -","1","0.0625","","Tassel, C.; Sumida, Y.; Tsujimoto, Y.; Watanabe, T.; Kitada, A.; Hayashi, N.; Kageyama, H.; Yoshimura, K.; Yamamoto, T.; Takano, M.","Stability of the infinite layer structure with iron square planar coordination","Journal of the American Chemical Society","2008","130","","3764","3765","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124115","3.89079","","3.89079","","3.35433","","90","","90","","90","","50.779","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- Ca Fe O2 -","- Ca Fe O2 -","- Ca Fe O2 -","1","0.0625","","Tassel, C.; Watanabe, T.; Sumida, Y.; Hayashi, N.; Takano, M.; Tsujimoto, Y.; Kitada, A.; Yamamoto, T.; Kageyama, H.; Yoshimura, K.","Stability of the infinite layer structure with iron square planar coordination","Journal of the American Chemical Society","2008","130","","3764","3765","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124116","10.44783","","14.9854","","8.83659","","90","","105.935","","90","","1330.33","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","C11.5 N4 H22 F2 (Si24 O48)","","- C10 F2 N4 O48 Si24 -","- C11 F2 N4 O48 Si24 -","- C11 F2 N4 O48 Si24 -","1","0.25","","Yang, X.; Camblor, M.A.; Olson, D.H.; Liu, H.; Lee, Y.","Synthesis and crystal structure of as-synthesized and calcined silica zeolite ITQ-12","Journal of the American Chemical Society","2004","126","","10403","10409","","","","","","","","","","","","","","","","","","","","","","has coordinates","151946","2020-10-21","18:00:00",""
"4124117","9.115429","","9.115429","","8.8639","","81.3651","","98.6349","","69.0757","","663.38","","","","","","","","","","","","","2","P 1","P 1","1","","Si O2","","- O2.33333 Si -","- O2.33333 Si -","- O14 Si6 -","6","6","","Zicovich-Wilson, C.M.; Durand-Niconoff, J.S.; San-Roman, M.L.; Camblor, M.A.; Pascale, F.","Structure, vibrational analysis, and insights into host-guest interactions in as-synthesized pure silica ITQ-12 zeolite by periodic B3LYP calculations","Journal of the American Chemical Society","2007","129","","11512","11523","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124118","9.208837","","9.174551","","8.984374","","81.0227","","98.2014","","68.4861","","680.826","","","","","","","","","","","","","2","P 1","P 1","1","","Si O2","","- O2 Si -","- O2 Si -","- O24 Si12 -","12","12","","Zicovich-Wilson, C.M.; San-Roman, M.L.; Camblor, M.A.; Pascale, F.; Durand-Niconoff, J.S.","Structure, vibrational analysis, and insights into host-guest interactions in as-synthesized pure silica ITQ-12 zeolite by periodic B3LYP calculations","Journal of the American Chemical Society","2007","129","","11512","11523","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124119","6.97192","","12.02685","","6.96194","","90","","120.02","","90","","505.449","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Be F2 -","- Be F2 -","- Be16 F32 -","16","2","","Zwijnenburg, M.A.; Bell, R.G.; Cora, F.","Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2","Journal of the American Chemical Society","2008","130","","11082","11087","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124120","8.529749","","8.529749","","8.529749","","90","","90","","90","","620.596","","","","","","","","","","","","","2","P -4 3 n","P -4n 2 3","218","","","","- Be F2 -","- Be F2 -","- Be12 F24 -","12","0.5","","Zwijnenburg, M.A.; Cora, F.; Bell, R.G.","Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2","Journal of the American Chemical Society","2008","130","","11082","11087","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124121","13.1285","","13.1285","","14.42939","","90","","90","","120","","2153.82","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Be F2 -","- Be F2 -","- Be36 F72 -","36","1","","Zwijnenburg, M.A.; Cora, F.; Bell, R.G.","Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2","Journal of the American Chemical Society","2008","130","","11082","11087","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124122","19.79146","","19.79146","","19.79146","","90","","90","","90","","7752.35","","","","","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Be Cl2 -","- Be Cl2 -","- Be48 Cl96 -","48","1","","Zwijnenburg, M.A.; Cora, F.; Bell, R.G.","Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2","Journal of the American Chemical Society","2008","130","","11082","11087","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124123","11.51593","","11.51593","","8.400845","","90","","90","","120","","964.832","","","","","","","","","","","","","2","P 32","P 32","145","","","","- Be Cl2 -","- Be Cl2 -","- Be9 Cl18 -","9","3","","Zwijnenburg, M.A.; Cora, F.; Bell, R.G.","Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2","Journal of the American Chemical Society","2008","130","","11082","11087","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124124","9.845269","","9.845269","","9.845269","","90","","90","","90","","954.295","","","","","","","","","","","","","2","P -4 3 n","P -4n 2 3","218","","","","- Be Cl2 -","- Be Cl2 -","- Be12 Cl24 -","12","0.5","","Zwijnenburg, M.A.; Cora, F.; Bell, R.G.","Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2","Journal of the American Chemical Society","2008","130","","11082","11087","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124125","10.52587","0.00009","6.11525","0.00006","4.97031","0.00005","90","","90","","90","","319.931","0.005","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li6.5 O8 P1.5 Si0.5 -","- Li6.482 O8 P1.5 Si0.5 -","- Li12.964 O16 P3 Si -","2","0.25","","Deng, Yue; Eames, Christopher; Chotard, Jean-Noël; Lalère, Fabien; Seznec, Vincent; Emge, Steffen; Pecher, Oliver; Grey, Clare P.; Masquelier, Christian; Islam, M. Saiful","Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li4SiO4-Li3PO4 Solid Electrolytes.","Journal of the American Chemical Society","2015","137","28","9136","9145","10.1021/jacs.5b04444","powder diffraction","","1.59464","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.7004","2.8783","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124126","10.58917","0.0001","6.1152","0.00006","5.00565","0.00004","90","","90","","90","","324.14","0.005","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li7 O8 P Si -","- Li6.596 O8 P Si -","- Li13.192 O16 P2 Si2 -","2","0.25","","Deng, Yue; Eames, Christopher; Chotard, Jean-Noël; Lalère, Fabien; Seznec, Vincent; Emge, Steffen; Pecher, Oliver; Grey, Clare P.; Masquelier, Christian; Islam, M. Saiful","Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li4SiO4-Li3PO4 Solid Electrolytes.","Journal of the American Chemical Society","2015","137","28","9136","9145","10.1021/jacs.5b04444","powder diffraction","","1.59464","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.9228","3.8032","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124127","5.10536","0.00011","6.11225","0.00012","5.29671","0.00011","90","","90.3692","0.0008","90","","165.282","0.006","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Li7.5 O8 P0.5 Si1.5 -","- Li7.222 O8 P0.5 Si1.5 -","- Li7.222 O8 P0.5 Si1.5 -","1","0.25","","Deng, Yue; Eames, Christopher; Chotard, Jean-Noël; Lalère, Fabien; Seznec, Vincent; Emge, Steffen; Pecher, Oliver; Grey, Clare P.; Masquelier, Christian; Islam, M. Saiful","Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li4SiO4-Li3PO4 Solid Electrolytes.","Journal of the American Chemical Society","2015","137","28","9136","9145","10.1021/jacs.5b04444","powder diffraction","","1.494","ConstantWavelengthNeutronDiffraction","","","","","","","","","2.4358","1.5857","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124128","11.5556","0.0004","6.0986","0.0002","16.73","0.0005","90","","99.058","0.001","90","","1164.31","0.07","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Li4 O4 Si -","- Li4 O4 Si -","- Li56 O56 Si14 -","14","3.5","","Deng, Yue; Eames, Christopher; Chotard, Jean-Noël; Lalère, Fabien; Seznec, Vincent; Emge, Steffen; Pecher, Oliver; Grey, Clare P.; Masquelier, Christian; Islam, M. Saiful","Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li4SiO4-Li3PO4 Solid Electrolytes.","Journal of the American Chemical Society","2015","137","28","9136","9145","10.1021/jacs.5b04444","","","0.71073","MoKα","","0.0775","0.0408","","","0.1221","0.1492","","","","","","0.901","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124129","11.2002","0.0007","11.8465","0.0007","18.7423","0.0011","78.185","0.003","83.411","0.003","67.564","0.002","2248","0.2","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C93 H136 Cl2 N4 P4 Ti2 -","- C93 H136 Cl2 N4 P4 Ti2 -","- C93 H136 Cl2 N4 P4 Ti2 -","1","0.5","","Carroll, Maria E.; Pinter, Balazs; Carroll, Patrick J.; Mindiola, Daniel J.","Mononuclear and Terminally Bound Titanium Nitrides.","Journal of the American Chemical Society","2015","137","28","8884","8887","10.1021/jacs.5b04853","","","0.71073","MoKα","","0.0447","0.0342","","","0.0874","0.0937","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124130","25.3813","0.001","12.6995","0.0005","25.1244","0.0009","90","","116.765","0.002","90","","7230.7","0.5","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H114 K N5 O8 P2 Ti -","- C70 H114 K N5 O8 P2 Ti -","- C280 H456 K4 N20 O32 P8 Ti4 -","4","1","","Carroll, Maria E.; Pinter, Balazs; Carroll, Patrick J.; Mindiola, Daniel J.","Mononuclear and Terminally Bound Titanium Nitrides.","Journal of the American Chemical Society","2015","137","28","8884","8887","10.1021/jacs.5b04853","","","0.71073","MoKα","","0.1028","0.053","","","0.1229","0.1486","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124131","25.354","0.0006","32.8324","0.0008","12.7608","0.0003","90","","90","","90","","10622.5","0.4","100","1","100","1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C110 H160 K2 N6 O2 P4 Ti2 -","- C110 H160 K2 N6 O2 P4 Ti2 -","- C440 H640 K8 N24 O8 P16 Ti8 -","4","1","","Carroll, Maria E.; Pinter, Balazs; Carroll, Patrick J.; Mindiola, Daniel J.","Mononuclear and Terminally Bound Titanium Nitrides.","Journal of the American Chemical Society","2015","137","28","8884","8887","10.1021/jacs.5b04853","","","0.71073","MoKα","","0.05","0.0445","","","0.1153","0.1197","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124132","14.7649","0.0003","12.707","0.0003","23.0543","0.0005","90","","96.136","0.001","90","","4300.61","0.16","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H62 N5 P2 Ti -","- C44 H62 N5 P2 Ti -","- C176 H248 N20 P8 Ti4 -","4","1","","Carroll, Maria E.; Pinter, Balazs; Carroll, Patrick J.; Mindiola, Daniel J.","Mononuclear and Terminally Bound Titanium Nitrides.","Journal of the American Chemical Society","2015","137","28","8884","8887","10.1021/jacs.5b04853","","","0.71073","MoKα","","0.0408","0.0323","","","0.0823","0.0879","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124133","22.0861","0.0006","12.2813","0.0003","23.1272","0.0005","90","","103.379","0.001","90","","6102.9","0.3","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H96 K N3 O7 P2 Ti -","- C60 H96 K N3 O7 P2 Ti -","- C240 H384 K4 N12 O28 P8 Ti4 -","4","1","","Carroll, Maria E.; Pinter, Balazs; Carroll, Patrick J.; Mindiola, Daniel J.","Mononuclear and Terminally Bound Titanium Nitrides.","Journal of the American Chemical Society","2015","137","28","8884","8887","10.1021/jacs.5b04853","","","0.71073","MoKα","","0.0937","0.0576","","","0.1407","0.1663","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124134","11.4019","0.0004","14.6741","0.0005","19.1194","0.0008","74.772","0.002","77.091","0.002","78.2422","0.0019","2972.57","0.19","228","2","228","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H75 B N8 O4 Zn -","- C63 H75 B N8 O4 Zn -","- C126 H150 B2 N16 O8 Zn2 -","2","1","","Stasiw, Daniel E.; Zhang, Jinyuan; Wang, Guangbin; Dangi, Ranjana; Stein, Benjamin W.; Shultz, David A.; Kirk, Martin L.; Wojtas, Lukasz; Sommer, Roger D.","Determining the Conformational Landscape of σ and π Coupling Using para-Phenylene and ""Aviram-Ratner"" Bridges.","Journal of the American Chemical Society","2015","137","29","9222","9225","10.1021/jacs.5b04629","","","1.54178","CuKα","","0.0912","0.0567","","","0.135","0.1549","","","","","","1.014","","","","has coordinates,has disorder","152850","2020-10-21","18:00:00",""
"4124135","30.9381","0.001","11.0948","0.0003","37.0849","0.0012","90","","103.747","0.001","90","","12364.8","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H75 B N8 O4 Zn -","- C63 H75 B N8 O4 Zn -","- C504 H600 B8 N64 O32 Zn8 -","8","1","","Stasiw, Daniel E.; Zhang, Jinyuan; Wang, Guangbin; Dangi, Ranjana; Stein, Benjamin W.; Shultz, David A.; Kirk, Martin L.; Wojtas, Lukasz; Sommer, Roger D.","Determining the Conformational Landscape of σ and π Coupling Using para-Phenylene and ""Aviram-Ratner"" Bridges.","Journal of the American Chemical Society","2015","137","29","9222","9225","10.1021/jacs.5b04629","","","1.54178","CuKα","","0.1003","0.0699","","","0.155","0.1685","","","","","","1.055","","","","has coordinates,has disorder","152850","2020-10-21","18:00:00",""
"4124136","13.3325","0.0003","28.3571","0.0007","34.14","0.0008","90","","100.62","0.001","90","","12686.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C128 H154 B2 N16 O8 Zn2 -","- C128 H154 B2 N16 O8 Zn2 -","- C512 H616 B8 N64 O32 Zn8 -","4","1","","Stasiw, Daniel E.; Zhang, Jinyuan; Wang, Guangbin; Dangi, Ranjana; Stein, Benjamin W.; Shultz, David A.; Kirk, Martin L.; Wojtas, Lukasz; Sommer, Roger D.","Determining the Conformational Landscape of σ and π Coupling Using para-Phenylene and ""Aviram-Ratner"" Bridges.","Journal of the American Chemical Society","2015","137","29","9222","9225","10.1021/jacs.5b04629","","","1.54178","CuKα","","0.0768","0.0544","","","0.1297","0.1412","","","","","","1.052","","","","has coordinates,has disorder","152850","2020-10-21","18:00:00",""
"4124137","14.2837","0.0003","31.337","0.0007","15.0319","0.0004","90","","112.556","0.001","90","","6213.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","BCO495","","","- C65 H83 B Cl2 N8 O4 Zn -","- C65 H83 B Cl2 N8 O4 Zn -","- C260 H332 B4 Cl8 N32 O16 Zn4 -","4","1","","Stasiw, Daniel E.; Zhang, Jinyuan; Wang, Guangbin; Dangi, Ranjana; Stein, Benjamin W.; Shultz, David A.; Kirk, Martin L.; Wojtas, Lukasz; Sommer, Roger D.","Determining the Conformational Landscape of σ and π Coupling Using para-Phenylene and ""Aviram-Ratner"" Bridges.","Journal of the American Chemical Society","2015","137","29","9222","9225","10.1021/jacs.5b04629","","","0.71073","MoKα","","0.0635","0.0512","","","0.1263","0.1334","","","","","","1.065","","","","has coordinates,has disorder","152850","2020-10-21","18:00:00",""
"4124138","13.9485","0.0005","34.5936","0.0013","14.2895","0.0006","90","","108.948","0.002","90","","6521.5","0.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","DES8-81-3","","","- C72 H87 B N8 O4 Zn -","- C72 H87 B N8 O4 Zn -","- C288 H348 B4 N32 O16 Zn4 -","4","1","","Stasiw, Daniel E.; Zhang, Jinyuan; Wang, Guangbin; Dangi, Ranjana; Stein, Benjamin W.; Shultz, David A.; Kirk, Martin L.; Wojtas, Lukasz; Sommer, Roger D.","Determining the Conformational Landscape of σ and π Coupling Using para-Phenylene and ""Aviram-Ratner"" Bridges.","Journal of the American Chemical Society","2015","137","29","9222","9225","10.1021/jacs.5b04629","","","0.71073","MoKα","","0.0766","0.0536","","","0.1254","0.1356","","","","","","1.044","","","","has coordinates,has disorder","152850","2020-10-21","18:00:00",""
"4124139","9.4898","0.0013","9.737","0.0018","12.2051","0.0018","90","","111.784","0.002","90","","1047.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Cu I N2 -","- C10 H8 Cu I N2 -","- C40 H32 Cu4 I4 N8 -","4","1","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.71073","MoKα","","0.0445","0.0332","","","0.0636","0.0675","","","","","","1.004","","","","has coordinates","152847","2020-10-21","18:00:00",""
"4124140","26.0237","0.001","9.3012","0.0004","20.2799","0.0008","90","","117.533","0.002","90","","4352.8","0.3","230","2","230","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H76 Cu4 I4 N4 P4 S2 -","- C92 H76 Cu4 I4 N4 P4 S2 -","- C184 H152 Cu8 I8 N8 P8 S4 -","2","0.25","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.7085","synchrotron","","0.0503","0.0333","","","0.0713","0.0775","","","","","","1.057","","","","has coordinates","152847","2020-10-21","18:00:00",""
"4124141","17.2033","0.0007","17.7719","0.0007","14.947","0.0006","90","","122.467","0.002","90","","3855.6","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80 H66 Br2 Cu4 I4 N4 P4 -","- C80 H66 Br2 Cu4 I4 N4 P4 -","- C160 H132 Br4 Cu8 I8 N8 P8 -","2","0.25","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.7293","synchrotron","","0.0295","0.0216","","","0.0463","0.0478","","","","","","0.962","","","","has coordinates","152847","2020-10-21","18:00:00",""
"4124142","8.437","0.002","21.875","0.006","16.757","0.004","90","","90","","90","","3092.7","1.3","296","2","296","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C4 H3 Br Cu I N2 -","- C4 H3 Br Cu I N2 -","- C64 H48 Br16 Cu16 I16 N32 -","16","","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.71073","MoKα","","0.0305","0.026","","","0.0635","0.0655","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124143","13.2151","0.0005","13.5525","0.0005","25.3512","0.0009","90","","94.613","0.002","90","","4525.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H44 Cu2 I2 N2 P2 -","- C49 H44 Cu2 I2 N2 P2 -","- C196 H176 Cu8 I8 N8 P8 -","4","1","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.7749","synchrotron","","0.0435","0.0282","","","0.0578","0.0652","","","","","","1.035","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4124144","7.802","0.0004","8.6628","0.0004","9.4711","0.0005","90.919","0.002","94.251","0.003","102.751","0.002","622.28","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cl4 Cu2 I2 N4 -","- C20 H16 Cl4 Cu2 I2 N4 -","- C20 H16 Cl4 Cu2 I2 N4 -","1","0.5","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.7749","synchrotron","","0.0388","0.0366","","","0.1025","0.1046","","","","","","1.096","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4124145","9.3886","0.0003","11.5199","0.0004","11.5849","0.0004","79.129","0.002","69.089","0.002","72.439","0.002","1111.29","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H46 Cu2 I2 N4 P2 -","- C48 H46 Cu2 I2 N4 P2 -","- C48 H46 Cu2 I2 N4 P2 -","1","0.5","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.7749","synchrotron","","0.0421","0.031","","","0.0652","0.0692","","","","","","1.028","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4124146","25.9199","0.0015","14.9505","0.0009","11.5468","0.0007","90","","97.115","0.002","90","","4440.1","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cu I N P -","- C24 H22 Cu I N P -","- C192 H176 Cu8 I8 N8 P8 -","8","1","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.71073","MoKα","","0.0735","0.0609","","","0.1602","0.1725","","","","","","1.042","","","","has coordinates","152847","2020-10-21","18:00:00",""
"4124147","21.5806","0.0014","21.7696","0.0014","25.8234","0.0016","74.698","0.003","72.145","0.003","77.768","0.003","11024.3","1.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C232 H201 B F2 N17 O64 Pt2 -","- C232 H201 B F2 N17 O64 Pt2 -","- C464 H402 B2 F4 N34 O128 Pt4 -","2","1","","Yamashina, Masahiro; Sartin, Matthew M.; Sei, Yoshihisa; Akita, Munetaka; Takeuchi, Satoshi; Tahara, Tahei; Yoshizawa, Michito","Preparation of Highly Fluorescent Host-Guest Complexes with Tunable Color upon Encapsulation.","Journal of the American Chemical Society","2015","137","29","9266","9269","10.1021/jacs.5b06195","","","1.54178","CuKα","","0.0855","0.0751","","","0.2448","0.2542","","","","","","2.085","","","","has coordinates","152848","2020-10-21","18:00:00",""
"4124148","14.6799","0.0011","14.8636","0.0011","16.1127","0.0011","89.566","0.004","68.846","0.004","62.936","0.003","2867.4","0.4","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C59 H48 B Cl2 F15 O3 Si Zr -","- C59 H48 B Cl2 F15 O3 Si Zr -","- C118 H96 B2 Cl4 F30 O6 Si2 Zr2 -","2","1","","Vidal, Fernando; Gowda, Ravikumar R.; Chen, Eugene Y.-X.","Chemoselective, Stereospecific, and Living Polymerization of Polar Divinyl Monomers by Chiral Zirconocenium Catalysts.","Journal of the American Chemical Society","2015","137","29","9469","9480","10.1021/jacs.5b05811","","","0.71073","MoKα","","0.0732","0.0465","","","0.1156","0.1239","","","","","","1.065","","","","has coordinates","152852","2020-10-21","18:00:00",""
"4124149","15.8254","0.0004","6.0257","0.0002","16.6449","0.0005","90","","115.541","0.0013","90","","1432.14","0.08","100","2","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H37 N O4 -","- C34 H37 N O4 -","- C68 H74 N2 O8 -","2","1","","Kalek, Marcin; Fu, Gregory C.","Phosphine-Catalyzed Doubly Stereoconvergent γ-Additions of Racemic Heterocycles to Racemic Allenoates: The Catalytic Enantioselective Synthesis of Protected α,α-Disubstituted α-Amino Acid Derivatives.","Journal of the American Chemical Society","2015","137","29","9438","9442","10.1021/jacs.5b05528","","","1.54178","CuKα","","0.0339","0.0298","","","0.0653","0.0672","","","","","","1.067","","","","has coordinates","154642","2020-10-21","18:00:00",""
"4124150","8.6834","0.0004","16.2787","0.0007","21.3864","0.0009","90","","90","","90","","3023.1","0.2","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H39 N O5 -","- C35 H39 N O5 -","- C140 H156 N4 O20 -","4","1","","Kalek, Marcin; Fu, Gregory C.","Phosphine-Catalyzed Doubly Stereoconvergent γ-Additions of Racemic Heterocycles to Racemic Allenoates: The Catalytic Enantioselective Synthesis of Protected α,α-Disubstituted α-Amino Acid Derivatives.","Journal of the American Chemical Society","2015","137","29","9438","9442","10.1021/jacs.5b05528","","","1.54178","CuKα","","0.0375","0.0373","","","0.0922","0.0923","","","","","","1.138","","","","has coordinates","154642","2020-10-21","18:00:00",""
"4124151","11.3063","0.0004","17.1064","0.0006","17.5636","0.0006","90","","90","","90","","3397","0.2","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H49 N3 O3 -","- C36 H49 N3 O3 -","- C144 H196 N12 O12 -","4","1","","Kalek, Marcin; Fu, Gregory C.","Phosphine-Catalyzed Doubly Stereoconvergent γ-Additions of Racemic Heterocycles to Racemic Allenoates: The Catalytic Enantioselective Synthesis of Protected α,α-Disubstituted α-Amino Acid Derivatives.","Journal of the American Chemical Society","2015","137","29","9438","9442","10.1021/jacs.5b05528","","","1.54178","CuKα","","0.0379","0.036","","","0.0904","0.0922","","","","","","1.057","","","","has coordinates","154642","2020-10-21","18:00:00",""
"4124152","10.3317","0.0003","11.0488","0.0003","31.0607","0.0008","90","","90","","90","","3545.67","0.17","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H51 N3 O4 -","- C37 H51 N3 O4 -","- C148 H204 N12 O16 -","4","1","","Kalek, Marcin; Fu, Gregory C.","Phosphine-Catalyzed Doubly Stereoconvergent γ-Additions of Racemic Heterocycles to Racemic Allenoates: The Catalytic Enantioselective Synthesis of Protected α,α-Disubstituted α-Amino Acid Derivatives.","Journal of the American Chemical Society","2015","137","29","9438","9442","10.1021/jacs.5b05528","","","1.54178","CuKα","","0.052","0.0448","","","0.1068","0.1111","","","","","","1.039","","","","has coordinates","154642","2020-10-21","18:00:00",""
"4124153","9.3732","0.0006","10.9685","0.0008","30.31","0.002","90","","90","","90","","3116.2","0.4","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H41 N O7 -","- C35 H41 N O7 -","- C140 H164 N4 O28 -","4","1","","Kalek, Marcin; Fu, Gregory C.","Phosphine-Catalyzed Doubly Stereoconvergent γ-Additions of Racemic Heterocycles to Racemic Allenoates: The Catalytic Enantioselective Synthesis of Protected α,α-Disubstituted α-Amino Acid Derivatives.","Journal of the American Chemical Society","2015","137","29","9438","9442","10.1021/jacs.5b05528","","","1.54178","CuKα","","0.0892","0.0716","","","0.149","0.1578","","","","","","1.145","","","","has coordinates","154642","2020-10-21","18:00:00",""
"4124154","7.092","0.012","21.92","0.04","26.25","0.05","90","","92.31","0.03","90","","4077","13","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H25 B10 N Si -","- C13 H25 B10 N Si -","- C104 H200 B80 N8 Si8 -","8","2","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.1506","0.0576","","","0.0875","0.1126","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124155","10.8368","0.0008","10.2916","0.0008","21.5505","0.0015","90","","95.704","0.002","90","","2391.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H29 B10 N Si -","- C19 H29 B10 N Si -","- C76 H116 B40 N4 Si4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0577","0.0428","","","0.1143","0.124","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124156","13.5872","0.0004","13.6524","0.0004","44.1111","0.0012","90","","90","","90","","8182.5","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H27 B10 N Si -","- C14 H27 B10 N Si -","- C224 H432 B160 N16 Si16 -","16","2","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.1247","0.0787","","","0.1842","0.2068","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124157","10.2406","0.0007","22.1698","0.0016","10.4996","0.0008","90","","118.297","0.003","90","","2098.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 B10 N Si -","- C14 H27 B10 N Si -","- C56 H108 B40 N4 Si4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0553","0.0436","","","0.1197","0.1302","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124158","10.6851","0.0005","20.7939","0.001","10.3533","0.0004","90","","118.622","0.0012","90","","2019.23","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 B12 N Si -","- C14 H27 B10 N Si -","- C56 H108 B40 N4 Si4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0612","0.0491","","","0.1361","0.1471","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124159","7.077","0.002","8.79","0.003","14.988","0.005","90","","100.256","0.006","90","","917.5","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 B10 N -","- C16 H21 B10 N -","- C32 H42 B20 N2 -","2","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0639","0.0472","","","0.1103","0.1214","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124160","8.183","0.0007","10.8698","0.0009","11.361","0.0009","81.46","0.002","75.361","0.002","73.663","0.002","934.99","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 B10 F N -","- C16 H20 B10 F N -","- C32 H40 B20 F2 N2 -","2","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.062","0.0464","","","0.1233","0.1334","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124161","7.2295","0.0003","10.6326","0.0004","27.3463","0.001","90","","95.486","0.003","90","","2092.44","0.14","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H27 B10 N O Si -","- C14 H27 B10 N O Si -","- C56 H108 B40 N4 O4 Si4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","1.54178","CuKα","","0.1184","0.0778","","","0.1986","0.2246","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124162","13.907","0.002","7.224","0.001","15.485","0.002","90","","94.103","0.003","90","","1551.7","0.4","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C11 H19 B10 N -","- C11 H19 B10 N -","- C44 H76 B40 N4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.1954","0.1111","","","0.2699","0.3312","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124163","7.121","0.002","20.584","0.006","10.452","0.003","90","","96.443","0.007","90","","1522.4","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H15 B10 N S -","- C9 H15 B10 N S -","- C36 H60 B40 N4 S4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0569","0.041","","","0.11","0.1212","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124164","10.3132","0.0008","11.0905","0.0008","12.8176","0.0008","104.853","0.001","105.128","0.001","101.135","0.002","1313.78","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H17 B10 N -","- C7 H17 B10 N -","- C28 H68 B40 N4 -","4","2","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0729","0.052","","","0.1412","0.1581","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124165","6.9969","0.0006","20.1293","0.0017","11.0355","0.0009","90","","94.813","0.002","90","","1548.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H17 B10 N -","- C11 H17 B10 N -","- C44 H68 B40 N4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0895","0.0526","","","0.1295","0.1502","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124166","6.7689","0.0003","12.4813","0.0006","19.7123","0.0009","99.976","0.001","98.355","0.001","97.901","0.001","1600.04","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H21 B10 N -","- C12 H21 B10 N -","- C48 H84 B40 N4 -","4","2","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0648","0.0549","","","0.1624","0.1731","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124167","8.8461","0.0005","17.8341","0.001","25.8501","0.0015","90","","90.017","0.002","90","","4078.2","0.4","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H68 Ce N5 Si6 -","- C25 H68 Ce N5 Si6 -","- C100 H272 Ce4 N20 Si24 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Anna, Jessica M.; Schelter, Eric J.","Luminescent Ce(III) Complexes as Stoichiometric and Catalytic Photoreductants for Halogen Atom Abstraction Reactions.","Journal of the American Chemical Society","2015","137","29","9234","9237","10.1021/jacs.5b05411","","","0.71073","MoKα","","0.0235","0.0186","","","0.04","0.0432","","","","","","1.119","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124168","9.4432","0.0004","23.8081","0.0011","20.2688","0.001","90","","91.574","0.002","90","","4555.2","0.4","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H76 Ce N5 Si6 -","- C31 H76 Ce N5 Si6 -","- C124 H304 Ce4 N20 Si24 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Anna, Jessica M.; Schelter, Eric J.","Luminescent Ce(III) Complexes as Stoichiometric and Catalytic Photoreductants for Halogen Atom Abstraction Reactions.","Journal of the American Chemical Society","2015","137","29","9234","9237","10.1021/jacs.5b05411","","","0.71073","MoKα","","0.0176","0.0155","","","0.039","0.041","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124169","18.3829","0.0008","25.4115","0.001","8.7163","0.0003","90","","90","","90","","4071.7","0.3","100","1","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H68 Ce Cl N5 Si6 -","- C25 H68 Ce Cl N5 Si6 -","- C100 H272 Ce4 Cl4 N20 Si24 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Anna, Jessica M.; Schelter, Eric J.","Luminescent Ce(III) Complexes as Stoichiometric and Catalytic Photoreductants for Halogen Atom Abstraction Reactions.","Journal of the American Chemical Society","2015","137","29","9234","9237","10.1021/jacs.5b05411","","","0.71073","MoKα","","0.0214","0.0193","","","0.0438","0.0447","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124170","9.3555","0.0013","23.472","0.003","20.797","0.003","90","","97.552","0.006","90","","4527.2","1.1","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H76 Ce Cl N5 Si6 -","- C31 H76 Ce Cl N5 Si6 -","- C124 H304 Ce4 Cl4 N20 Si24 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Anna, Jessica M.; Schelter, Eric J.","Luminescent Ce(III) Complexes as Stoichiometric and Catalytic Photoreductants for Halogen Atom Abstraction Reactions.","Journal of the American Chemical Society","2015","137","29","9234","9237","10.1021/jacs.5b05411","","","0.71073","MoKα","","0.0245","0.0191","","","0.0424","0.045","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124171","10.4706","0.0011","14.4379","0.0015","7.9454","0.0009","90","","90","","90","","1201.1","0.2","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- B3 Ba3 Cl O9 Pb2 -","- B3 Ba3 Cl O9 Pb2 -","- B12 Ba12 Cl4 O36 Pb8 -","4","0.5","","Dong, Xiaoyu; Jing, Qun; Shi, Yunjing; Yang, Zhihua; Pan, Shilie; Poeppelmeier, Kenneth R.; Young, Joshua; Rondinelli, James M.","Pb2Ba3(BO3)3Cl: A Material with Large SHG Enhancement Activated by Pb-Chelated BO3 Groups.","Journal of the American Chemical Society","2015","137","29","9417","9422","10.1021/jacs.5b05406","","","0.71073","MoKα","","0.0205","0.0198","","","0.0506","0.0509","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124172","12.035","0.003","3.9873","0.001","18.148","0.005","90","","109.192","0.006","90","","822.5","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br2 O4 -","- C18 H14 Br2 O4 -","- C36 H28 Br4 O8 -","2","0.5","","Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.","Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.","Journal of the American Chemical Society","2015","137","30","9527","9530","10.1021/jacs.5b05434","","","0.71073","MoKα","","0.0873","0.0661","","","0.1381","0.1498","","","","","","1.14","","","","has coordinates","154625","2020-10-21","18:00:00",""
"4124173","7.3612","0.0014","7.8256","0.0015","8.1466","0.0015","79.735","0.004","66.523","0.004","84.834","0.005","423.46","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 Br2 O4 -","- C18 H14 Br2 O4 -","- C18 H14 Br2 O4 -","1","0.5","","Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.","Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.","Journal of the American Chemical Society","2015","137","30","9527","9530","10.1021/jacs.5b05434","","","0.71073","MoKα","","0.0623","0.0545","","","0.137","0.1436","","","","","","1.075","","","","has coordinates","154625","2020-10-21","18:00:00",""
"4124174","5.8835","0.0011","6.7768","0.0012","16.356","0.003","89.817","0.004","83.8","0.004","70.889","0.004","612.23","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 I2 O6 S2 -","- C20 H22 I2 O6 S2 -","- C20 H22 I2 O6 S2 -","1","0.5","","Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.","Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.","Journal of the American Chemical Society","2015","137","30","9527","9530","10.1021/jacs.5b05434","","","0.71073","MoKα","","0.0364","0.035","","","0.0922","0.0937","","","","","","1.099","","","","has coordinates,has disorder","154625","2020-10-21","18:00:00",""
"4124175","30.2386","0.0004","30.2386","0.0004","30.2386","0.0004","90","","90","","90","","27649.4","0.6","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C96 H52 O32 Zr6 -","- C96 H48 O32 Zr6 -","- C384 H192 O128 Zr24 -","4","0.0208333","","Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.","Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.","Journal of the American Chemical Society","2015","137","30","9527","9530","10.1021/jacs.5b05434","","x-ray","0.71073","MoKα","","0.0721","0.0686","","","0.1843","0.1866","","","","","","1.178","","","","has coordinates","154625","2020-10-21","18:00:00",""
"4124176","30.1107","0.0012","30.1107","0.0012","30.1107","0.0012","90","","90","","90","","27300","1.9","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C96 H52 Hf6 O32 -","- C96 H48 Hf6 O32 -","- C384 H192 Hf24 O128 -","4","0.0208333","","Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.","Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.","Journal of the American Chemical Society","2015","137","30","9527","9530","10.1021/jacs.5b05434","","","0.71073","MoKα","","0.0491","0.0462","","","0.1276","0.1308","","","","","","1.092","","","","has coordinates","154625","2020-10-21","18:00:00",""
"4124177","29.861","0.002","29.861","0.002","29.861","0.002","90","","90","","90","","26626","3","100","","100","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C96 H52 Br12 O32 Zr6 -","- C96 H48 Br12 O32 Zr6 -","- C384 H192 Br48 O128 Zr24 -","4","0.0208333","","Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.","Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.","Journal of the American Chemical Society","2015","137","30","9527","9530","10.1021/jacs.5b05434","","","0.71075","MoKα","","0.0973","0.0783","","","0.2123","0.2314","","","","","","1.069","","","","has coordinates,has disorder","154625","2020-10-21","18:00:00",""
"4124178","29.825","0.002","29.825","0.002","29.825","0.002","90","","90","","90","","26530","3","100","","100","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C96 H52 Br12 Hf6 O32 -","- C96 H48 Br12 Hf6 O32 -","- C384 H192 Br48 Hf24 O128 -","4","0.0208333","","Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.","Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.","Journal of the American Chemical Society","2015","137","30","9527","9530","10.1021/jacs.5b05434","","","0.71075","MoKα","","0.0441","0.037","","","0.102","0.1087","","","","","","1.056","","","","has coordinates,has disorder","154625","2020-10-21","18:00:00",""
"4124179","11.9159","0.0002","13.6522","0.0003","13.8179","0.0003","68.5985","0.0009","77.8452","0.001","82.4777","0.001","2042.34","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H56 I N3 Ni O3 -","- C41 H56 I N3 Ni O3 -","- C82 H112 I2 N6 Ni2 O6 -","2","1","","Tasker, Sarah Z.; Jamison, Timothy F.","Highly Regioselective Indoline Synthesis under Nickel/Photoredox Dual Catalysis.","Journal of the American Chemical Society","2015","137","30","9531","9534","10.1021/jacs.5b05597","","","0.71073","MoKα","","0.0311","0.0251","","","0.0593","0.0631","","","","","","1.038","","","","has coordinates,has disorder","154627","2020-10-21","18:00:00",""
"4124180","11.6854","0.0008","13.0659","0.0009","14.9978","0.001","91.626","0.0019","109.319","0.0017","114.956","0.0018","1921","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H59 N3 Ni O -","- C43 H59 N3 Ni O -","- C86 H118 N6 Ni2 O2 -","2","1","","Tasker, Sarah Z.; Jamison, Timothy F.","Highly Regioselective Indoline Synthesis under Nickel/Photoredox Dual Catalysis.","Journal of the American Chemical Society","2015","137","30","9531","9534","10.1021/jacs.5b05597","","","0.71073","MoKα","","0.0356","0.0327","","","0.0864","0.0881","","","","","","1.037","","","","has coordinates,has disorder","154627","2020-10-21","18:00:00",""
"4124181","9.7667","0.0006","11.1645","0.0007","19.3961","0.0013","74.659","0.006","83.116","0.005","68.271","0.006","1894.1","0.2","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 N O3 P2 Rh -","- C46 H40 N O3 P2 Rh -","- C92 H80 N2 O6 P4 Rh2 -","2","1","","Li, Xinyao; Li, Xinwei; Jiao, Ning","Rh-Catalyzed Construction of Quinolin-2(1H)-ones via C-H Bond Activation of Simple Anilines with CO and Alkynes.","Journal of the American Chemical Society","2015","137","29","9246","9249","10.1021/jacs.5b05843","","","0.71073","MoKα","","0.1553","0.0755","","","0.1062","0.1413","","","","","","1.049","","","","has coordinates","152851","2020-10-21","18:00:00",""
"4124182","12.7999","0.0006","15.1536","0.0008","36.6934","0.0018","90","","94.913","0.003","90","","7091.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H82 Cl Cu N4 O15 -","- C79 H82 Cl Cu N4 O15 -","- C316 H328 Cl4 Cu4 N16 O60 -","4","1","","Mara, Michael W.; Bowman, David N.; Buyukcakir, Onur; Shelby, Megan L.; Haldrup, Kristoffer; Huang, Jier; Harpham, Michael R.; Stickrath, Andrew B.; Zhang, Xiaoyi; Stoddart, J. Fraser; Coskun, Ali; Jakubikova, Elena; Chen, Lin X.","Electron Injection from Copper Diimine Sensitizers into TiO2: Structural Effects and Their Implications for Solar Energy Conversion Devices.","Journal of the American Chemical Society","2015","137","30","9670","9684","10.1021/jacs.5b04612","","","1.54178","CuKα","","0.1582","0.1436","","","0.3309","0.3362","","","","","","1.146","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124183","13.363","0.004","7.906","0.002","23.608","0.006","90","","98.232","0.006","90","","2468.4","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Cl N2 Rh -","- C27 H34 Cl N2 Rh -","- C108 H136 Cl4 N8 Rh4 -","4","1","","Davies, David L.; Ellul, Charles E.; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles.","Journal of the American Chemical Society","2015","137","30","9659","9669","10.1021/jacs.5b04858","","","0.71073","MoKα","","0.1272","0.0635","","","0.1114","0.1278","","","","","","0.908","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124184","11.467","0.003","21.625","0.005","13.371","0.003","90","","112.245","0.004","90","","3068.9","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 Cl4 N2 Rh -","- C34 H31 Cl4 N2 Rh -","- C136 H124 Cl16 N8 Rh4 -","4","1","","Davies, David L.; Ellul, Charles E.; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles.","Journal of the American Chemical Society","2015","137","30","9659","9669","10.1021/jacs.5b04858","","","0.71073","MoKα","","0.0748","0.0504","","","0.1116","0.1201","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124185","14.876","0.006","14.79","0.006","7.964","0.003","90","","101.405","0.007","90","","1717.6","1.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H21 F6 N2 P -","- C17 H21 F6 N2 P -","- C68 H84 F24 N8 P4 -","4","1","","Davies, David L.; Ellul, Charles E.; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles.","Journal of the American Chemical Society","2015","137","30","9659","9669","10.1021/jacs.5b04858","","","0.71073","MoKα","","0.0704","0.0489","","","0.0863","0.094","","","","","","0.922","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124186","12.495","0.003","21.338","0.005","8.917","0.002","90","","94.255","0.004","90","","2370.9","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H33 F6 N2 P -","- C25 H33 F6 N2 P -","- C100 H132 F24 N8 P4 -","4","0.5","","Davies, David L.; Ellul, Charles E.; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles.","Journal of the American Chemical Society","2015","137","30","9659","9669","10.1021/jacs.5b04858","","","0.71073","MoKα","","0.0771","0.0566","","","0.1341","0.1456","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124187","10.1568","0.0017","12.918","0.002","13.817","0.002","91.012","0.003","101.271","0.003","104.126","0.003","1720.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H26 Cl3 F6 N2 P -","- C38 H26 Cl3 F6 N2 P -","- C76 H52 Cl6 F12 N4 P2 -","2","1","","Davies, David L.; Ellul, Charles E.; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles.","Journal of the American Chemical Society","2015","137","30","9659","9669","10.1021/jacs.5b04858","","","0.71073","MoKα","","0.1789","0.0819","","","0.1676","0.2014","","","","","","0.901","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124188","7.7498","0.0015","12.172","0.002","14.327","0.003","82.598","0.004","85.466","0.004","89.091","0.004","1336","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H33 Cl N2 O2 -","- C31 H33 Cl N2 O2 -","- C62 H66 Cl2 N4 O4 -","2","1","","Davies, David L.; Ellul, Charles E.; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles.","Journal of the American Chemical Society","2015","137","30","9659","9669","10.1021/jacs.5b04858","","","0.71073","MoKα","","0.0905","0.0604","","","0.1391","0.1554","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124189","15.8754","0.0012","34.211","0.003","18.0716","0.0015","90","","108.219","0.0018","90","","9322.9","1.3","173","2","173.06","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H65 N O14 -","- C47 H65 N O14 -","- C376 H520 N8 O112 -","8","2","","Vukotic, V. Nicholas; O'Keefe, Christopher A; Zhu, Kelong; Harris, Kristopher J.; To, Christine; Schurko, Robert W.; Loeb, Stephen J.","Mechanically Interlocked Linkers inside Metal-Organic Frameworks: Effect of Ring Size on Rotational Dynamics.","Journal of the American Chemical Society","2015","","","150723135020006","","10.1021/jacs.5b04674","","","0.71073","MoKα","","0.1517","0.1113","","","0.2089","0.2348","","","","","","1.117","","","","has coordinates,has disorder","152485","2020-10-21","18:00:00",""
"4124190","8.5899","0.0011","20.674","0.003","12.1902","0.0015","90","","93.937","0.005","90","","2159.7","0.5","150","2","150.21","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H61 N O14 -","- C41 H61 N O14 -","- C82 H122 N2 O28 -","2","1","","Vukotic, V. Nicholas; O'Keefe, Christopher A; Zhu, Kelong; Harris, Kristopher J.; To, Christine; Schurko, Robert W.; Loeb, Stephen J.","Mechanically Interlocked Linkers inside Metal-Organic Frameworks: Effect of Ring Size on Rotational Dynamics.","Journal of the American Chemical Society","2015","","","150723135020006","","10.1021/jacs.5b04674","","","1.54178","CuKα","","0.0819","0.0783","","","0.2089","0.2141","","","","","","1.068","","","","has coordinates","152486","2020-10-21","18:00:00",""
"4124191","26.1284","0.0006","26.1284","0.0006","34.1663","0.0009","90","","90","","90","","23325.1","1","150","2","149.94","","","","","","","","","5","I 4/m","-I 4","87","","","","- C123 H199 Cu6 N27 O50 -","- C124 H118 Cu12 N16 O60 -","- C496 H472 Cu48 N64 O240 -","4","0.25","","Vukotic, V. Nicholas; O'Keefe, Christopher A; Zhu, Kelong; Harris, Kristopher J.; To, Christine; Schurko, Robert W.; Loeb, Stephen J.","Mechanically Interlocked Linkers inside Metal-Organic Frameworks: Effect of Ring Size on Rotational Dynamics.","Journal of the American Chemical Society","2015","","","150723135020006","","10.1021/jacs.5b04674","","","1.54178","CuKα","","0.0786","0.0761","","","0.2164","0.2189","","","","","","1.116","","","","has coordinates","152487","2020-10-21","18:00:00",""
"4124192","15.2227","0.001","17.5544","0.0012","20.4454","0.0015","71.201","0.004","74.532","0.004","70.716","0.004","4802.7","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H47.5 Cl5.5 N8 Na O11 -","- C41.5 H47.5 Cl5.5 N8 Na O11 -","- C166 H190 Cl22 N32 Na4 O44 -","4","2","","Qiao, Bo; Sengupta, Arkajyoti; Liu, Yun; McDonald, Kevin P.; Pink, Maren; Anderson, Joseph R.; Raghavachari, Krishnan; Flood, Amar H.","Electrostatic and Allosteric Cooperativity in Ion-Pair Binding: A Quantitative and Coupled Experiment-Theory Study with Aryl-Triazole-Ether Macrocycles.","Journal of the American Chemical Society","2015","137","30","9746","9757","10.1021/jacs.5b05839","","","0.71073","MoKα","","0.0678","0.0489","","","0.1374","0.1481","","","","","","1.176","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124193","36.269","0.003","13.8644","0.0011","22.4297","0.0016","90","","116.552","0.003","90","","10089.1","1.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H50 Cl6 I N8 Na O7 -","- C42 H50 Cl6 I N8 Na O7 -","- C336 H400 Cl48 I8 N64 Na8 O56 -","8","1","","Qiao, Bo; Sengupta, Arkajyoti; Liu, Yun; McDonald, Kevin P.; Pink, Maren; Anderson, Joseph R.; Raghavachari, Krishnan; Flood, Amar H.","Electrostatic and Allosteric Cooperativity in Ion-Pair Binding: A Quantitative and Coupled Experiment-Theory Study with Aryl-Triazole-Ether Macrocycles.","Journal of the American Chemical Society","2015","137","30","9746","9757","10.1021/jacs.5b05839","","","0.71073","MoKα","","0.114","0.0638","","","0.1642","0.187","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124194","12.0155","0.0003","12.3473","0.0003","12.638","0.0004","105.802","0.001","105.396","0.001","100.865","0.001","1669.22","0.08","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H41 N7 O5 -","- C35.998 H40.992 N7 O4.998 -","- C71.996 H81.984 N14 O9.996 -","2","1","","Qiao, Bo; Sengupta, Arkajyoti; Liu, Yun; McDonald, Kevin P.; Pink, Maren; Anderson, Joseph R.; Raghavachari, Krishnan; Flood, Amar H.","Electrostatic and Allosteric Cooperativity in Ion-Pair Binding: A Quantitative and Coupled Experiment-Theory Study with Aryl-Triazole-Ether Macrocycles.","Journal of the American Chemical Society","2015","137","30","9746","9757","10.1021/jacs.5b05839","","","0.71073","MoKα","","0.074","0.0529","","","0.1296","0.1432","","","","","","1.035","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124195","16.51","0.004","16.51","0.004","16.634","0.004","90","","90","","120","","3926.6","1.6","173.15","","173.15","","","","","","","","","4","P 63/m","-P 6c","176","","","","- C80 H50 N6 O24 -","- C80 H50 N6 O24 -","- C160 H100 N12 O48 -","2","0.166667","","Meng, Zheng; Han, Ying; Wang, Li-Na; Xiang, Jun-Feng; He, Sheng-Gui; Chen, Chuan-Feng","Stepwise Motion in a Multivalent [2](3)Catenane.","Journal of the American Chemical Society","2015","137","30","9739","9745","10.1021/jacs.5b05758","","","0.71073","MoKα","","0.1359","0.1328","","","0.3589","0.3617","","","","","","1.198","","","","has coordinates","154631","2020-10-21","18:00:00",""
"4124196","31.5657","0.0003","27.3633","0.0004","18.7149","0.0002","90","","90","","90","","16164.8","0.3","292","2","292","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144 H162 Au24 Hg S18 -","- C144 H162 Au24.0004 Hg0.9996 S18 -","- C576 H648 Au96.0016 Hg3.9984 S72 -","4","0.5","","Liao, Lingwen; Zhou, Shiming; Dai, Yafei; Liu, Liren; Yao, Chuanhao; Fu, Cenfeng; Yang, Jinlong; Wu, Zhikun","Mono-Mercury Doping of Au25 and the HOMO/LUMO Energies Evaluation Employing Differential Pulse Voltammetry.","Journal of the American Chemical Society","2015","137","30","9511","9514","10.1021/jacs.5b03483","","","1.54184","CuKα","","0.151","0.1409","","","0.3305","0.3429","","","","","","1.351","","","","has coordinates","154623","2020-10-21","18:00:00",""
"4124197","8.5247","0.0003","9.749","0.0004","20.5673","0.0007","90","","90","","90","","1709.29","0.11","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3hnb","","","- C18 H13 Cl3 N2 O -","- C18 H13 Cl3 N2 O -","- C72 H52 Cl12 N8 O4 -","4","1","","Huo, Haohua; Wang, Chuanyong; Harms, Klaus; Meggers, Eric","Enantioselective, Catalytic Trichloromethylation through Visible-Light-Activated Photoredox Catalysis with a Chiral Iridium Complex.","Journal of the American Chemical Society","2015","137","30","9551","9554","10.1021/jacs.5b06010","","","0.71073","MoKα","","0.0248","0.0233","","","0.0577","0.0583","","","","","","1.068","","","","has coordinates","154624","2020-10-21","18:00:00",""
"4124198","14.008","0.003","15.968","0.003","12.323","0.002","90","","110.095","0.003","90","","2588.6","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N3 O5 S -","- C30 H29 N3 O5 S -","- C120 H116 N12 O20 S4 -","4","1","","Shu, Chao; Wang, Yong-Heng; Zhou, Bo; Li, Xin-Ling; Ping, Yi-Fan; Lu, Xin; Ye, Long-Wu","Generation of α-Imino Gold Carbenes through Gold-Catalyzed Intermolecular Reaction of Azides with Ynamides.","Journal of the American Chemical Society","2015","137","30","9567","9570","10.1021/jacs.5b06015","","","0.71073","MoKα","","0.0425","0.0394","","","0.1131","0.1178","","","","","","0.403","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124199","10.845","0.003","11.53","0.003","16.538","0.004","72.117","0.004","80.875","0.004","77.827","0.004","1914","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Br N2 O2 S -","- C22 H19 Br N2 O2 S -","- C88 H76 Br4 N8 O8 S4 -","4","2","","Shu, Chao; Wang, Yong-Heng; Zhou, Bo; Li, Xin-Ling; Ping, Yi-Fan; Lu, Xin; Ye, Long-Wu","Generation of α-Imino Gold Carbenes through Gold-Catalyzed Intermolecular Reaction of Azides with Ynamides.","Journal of the American Chemical Society","2015","137","30","9567","9570","10.1021/jacs.5b06015","","","0.71073","MoKα","","0.0875","0.0636","","","0.216","0.246","","","","","","0.845","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124200","3.89","0.0003","10.7997","0.0009","11.3951","0.0008","90","","90","","90","","478.72","0.06","296","2","296","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C10 H8 F3 Fe N2 -","- C10 H8 F3 Fe N2 -","- C20 H16 F6 Fe2 N4 -","2","0.25","","Lu, Hongcheng; Yamamoto, Takafumi; Yoshimune, Wataru; Hayashi, Naoaki; Kobayashi, Yoji; Ajiro, Yoshitami; Kageyama, Hiroshi","A Nearly Ideal One-Dimensional S = 5/2 Antiferromagnet FeF3(4,4'-bpy) (4,4'-bpy =4,4'-bipyridyl) with Strong Intrachain Interactions.","Journal of the American Chemical Society","2015","137","31","9804","9807","10.1021/jacs.5b06120","","x-ray","0.71073","MoKα","","0.0208","0.0196","","","0.0498","0.0512","","","","","","1.146","","","","has coordinates","154639","2020-10-21","18:00:00",""
"4124201","16.8964","0.0009","21.2575","0.0012","24.1461","0.0013","90","","90","","90","","8672.7","0.8","140","1","140","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C88 H128 Cl N8 Np O -","- C84 H120 Cl N8 Np -","- C336 H480 Cl4 N32 Np4 -","4","0.5","","Brown, Jessie L.; Batista, Enrique R.; Boncella, James M.; Gaunt, Andrew J.; Reilly, Sean D.; Scott, Brian L.; Tomson, Neil C.","A Linear trans-Bis(imido) Neptunium(V) Actinyl Analog: Np(V)(NDipp)2((t)Bu2bipy)2Cl (Dipp = 2,6-(i)Pr2C6H3).","Journal of the American Chemical Society","2015","137","30","9583","9586","10.1021/jacs.5b06667","","","0.71073","MoKα","","0.058","0.0441","","","0.0946","0.0993","","","","","","1.138","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124202","16.4673","0.0007","8.733","0.0004","12.2472","0.0005","90","","93.6709","0.0005","90","","1757.64","0.13","88","2","88","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C88 H76 N4 O16 -","4","1","","Tollefson, Emily J.; Erickson, Lucas W.; Jarvo, Elizabeth R.","Stereospecific Intramolecular Reductive Cross-Electrophile Coupling Reactions for Cyclopropane Synthesis.","Journal of the American Chemical Society","2015","137","31","9760","9763","10.1021/jacs.5b03870","","","0.71073","MoKα","","0.0548","0.0477","","","0.1244","0.129","","","","","","1.084","","","","has coordinates","154638","2020-10-21","18:00:00",""
"4124203","8.68159","0.00017","41.9071","0.001","13.1842","0.0002","90","","97.815","0.002","90","","4752.13","0.17","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60.25 Br1.75 N2 O4 -","- C58 H60.248 Br1.751 N2 O4 -","- C232 H240.992 Br7.004 N8 O16 -","4","1","","Ball, Melissa; Fowler, Brandon; Li, Panpan; Joyce, Leo A.; Li, Fang; Liu, Taifeng; Paley, Daniel; Zhong, Yu; Li, Hexing; Xiao, Shengxiong; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin","Chiral Conjugated Corrals.","Journal of the American Chemical Society","2015","137","31","9982","9987","10.1021/jacs.5b05698","","x-ray","1.54184","CuKα","","0.0768","0.0584","","","0.1268","0.1346","","","","","","1.113","","","","has coordinates,has disorder","154641","2020-10-21","18:00:00",""
"4124204","7.5857","0.0003","23.3505","0.0008","11.7938","0.0004","90","","107.153","0.001","90","","1996.12","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Be O4 -","- C28 H18 Be O4 -","- C112 H72 Be4 O16 -","4","1","","Bag, Pradip; Itkis, Mikhail E.; Stekovic, Dejan; Pal, Sushanta K.; Tham, Fook S.; Haddon, Robert C.","Band Structure Engineering by Substitutional Doping in Solid-State Solutions of [5-Me-PLY(O,O)]2B(1-x)Bex Radical Crystals.","Journal of the American Chemical Society","2015","137","31","10000","10008","10.1021/jacs.5b06145","","","0.71073","MoKα","","0.0474","0.0393","","","0.103","0.1081","","","","","","1.068","","","","has coordinates","154635","2020-10-21","18:00:00",""
"4124205","7.4171","0.0006","10.7795","0.0009","12.6104","0.001","95.9","0.001","99.202","0.001","99.786","0.001","971.98","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 B O4 -","- C28 H18 B O4 -","- C56 H36 B2 O8 -","2","1","","Bag, Pradip; Itkis, Mikhail E.; Stekovic, Dejan; Pal, Sushanta K.; Tham, Fook S.; Haddon, Robert C.","Band Structure Engineering by Substitutional Doping in Solid-State Solutions of [5-Me-PLY(O,O)]2B(1-x)Bex Radical Crystals.","Journal of the American Chemical Society","2015","137","31","10000","10008","10.1021/jacs.5b06145","","","0.71073","MoKα","","0.0736","0.0516","","","0.1317","0.1438","","","","","","1.096","","","","has coordinates","154635","2020-10-21","18:00:00",""
"4124206","7.476","0.0004","23.7689","0.0014","11.245","0.0007","90","","102.886","0.001","90","","1947.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 B0.6 Be0.4 O4 -","- C28 H18 B0.6 Be0.4 O4 -","- C112 H72 B2.4 Be1.6 O16 -","4","1","","Bag, Pradip; Itkis, Mikhail E.; Stekovic, Dejan; Pal, Sushanta K.; Tham, Fook S.; Haddon, Robert C.","Band Structure Engineering by Substitutional Doping in Solid-State Solutions of [5-Me-PLY(O,O)]2B(1-x)Bex Radical Crystals.","Journal of the American Chemical Society","2015","137","31","10000","10008","10.1021/jacs.5b06145","","","0.71073","MoKα","","0.0565","0.0334","","","0.0779","0.0904","","","","","","1.05","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124207","14.3476","0.0019","17.8692","0.0021","12.2628","0.002","90","","121.697","0.009","90","","2675","0.7","295","","295","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C38 H32 N20 -","- C38 H32 N20 -","- C76 H64 N40 -","2","0.25","","Wang, Hailong; Li, Bin; Wu, Hui; Hu, Tong-Liang; Yao, Zizhu; Zhou, Wei; Xiang, Shengchang; Chen, Banglin","A Flexible Microporous Hydrogen-Bonded Organic Framework for Gas Sorption and Separation.","Journal of the American Chemical Society","2015","137","31","9963","9970","10.1021/jacs.5b05644","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.10645","","1.76","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124208","8.5848","0.0003","9.3511","0.0004","10.8735","0.0004","90","","91.296","0.002","90","","872.67","0.06","230","2","230","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 B N4 -","- C7 H9 B N4 -","- C28 H36 B4 N16 -","4","1","","Kawamoto, Takuji; Geib, Steven J.; Curran, Dennis P.","Radical Reactions of N-Heterocyclic Carbene Boranes with Organic Nitriles: Cyanation of NHC-Boranes and Reductive Decyanation of Malononitriles.","Journal of the American Chemical Society","2015","137","26","8617","8622","10.1021/jacs.5b04677","","","1.54178","CuKα","","0.0402","0.038","","","0.1274","0.13","","","","","","1.579","","","","has coordinates","152740","2020-10-21","18:00:00",""
"4124209","8.1595","0.0002","11.4572","0.0003","12.9894","0.0003","90","","103.963","0.0017","90","","1178.44","0.05","230","2","230","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 B N3 -","- C12 H14 B N3 -","- C48 H56 B4 N12 -","4","1","","Kawamoto, Takuji; Geib, Steven J.; Curran, Dennis P.","Radical Reactions of N-Heterocyclic Carbene Boranes with Organic Nitriles: Cyanation of NHC-Boranes and Reductive Decyanation of Malononitriles.","Journal of the American Chemical Society","2015","137","26","8617","8622","10.1021/jacs.5b04677","","","1.54178","CuKα","","0.0491","0.0387","","","0.1054","0.1124","","","","","","1.184","","","","has coordinates","152741","2020-10-21","18:00:00",""
"4124210","17.8586","0.0013","8.3703","0.0006","26.813","0.002","90","","96.883","0.004","90","","3979.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H47 N5 O2 -","- C49 H47 N5 O2 -","- C196 H188 N20 O8 -","4","1","","Zeng, Zebing; Lee, Sangsu; Son, Minjung; Fukuda, Kotaro; Burrezo, Paula Mayorga; Zhu, Xiaojian; Qi, Qingbiao; Li, Run-Wei; Navarrete, Juan T López; Ding, Jun; Casado, Juan; Nakano, Masayoshi; Kim, Dongho; Wu, Jishan","Push-Pull Type Oligo(N-annulated perylene)quinodimethanes: Chain Length and Solvent-Dependent Ground States and Physical Properties.","Journal of the American Chemical Society","2015","137","26","8572","8583","10.1021/jacs.5b04156","","","1.54178","CuKα","","0.0821","0.0553","","","0.1325","0.1481","","","","","","1.025","","","","has coordinates,has disorder","152742","2020-10-21","18:00:00",""
"4124211","9.2392","0.0004","15.2056","0.0006","15.345","0.0006","94.735","0.0018","105.045","0.0018","94.651","0.0018","2062.98","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H51 N3 O2 S2 -","- C53 H51 N3 O2 S2 -","- C106 H102 N6 O4 S4 -","2","1","","Zeng, Zebing; Lee, Sangsu; Son, Minjung; Fukuda, Kotaro; Burrezo, Paula Mayorga; Zhu, Xiaojian; Qi, Qingbiao; Li, Run-Wei; Navarrete, Juan T López; Ding, Jun; Casado, Juan; Nakano, Masayoshi; Kim, Dongho; Wu, Jishan","Push-Pull Type Oligo(N-annulated perylene)quinodimethanes: Chain Length and Solvent-Dependent Ground States and Physical Properties.","Journal of the American Chemical Society","2015","137","26","8572","8583","10.1021/jacs.5b04156","","","1.54178","CuKα","","0.059","0.0443","","","0.1098","0.119","","","","","","1.008","","","","has coordinates","152743","2020-10-21","18:00:00",""
"4124212","31.84","0.004","33.121","0.008","17.559","0.009","90","","91.04","0.04","90","","18514","11","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C90.33 H82.5 Cl0.19 F4.86 Mn2 N11.16 O1.76 P0.81 S4 -","- C90.334 H82.501 Cl0.189 F4.866 Mn2 N11.167 O1.756 P0.811 S4 -","- C722.672 H660.008 Cl1.512 F38.928 Mn16 N89.336 O14.048 P6.488 S32 -","8","2","","Gennari, Marcello; Brazzolotto, Deborah; Pécaut, Jacques; Cherrier, Mickael V.; Pollock, Christopher J.; DeBeer, Serena; Retegan, Marius; Pantazis, Dimitrios A.; Neese, Frank; Rouzières, Mathieu; Clérac, Rodolphe; Duboc, Carole","Dioxygen Activation and Catalytic Reduction to Hydrogen Peroxide by a Thiolate-Bridged Dimanganese(II) Complex with a Pendant Thiol.","Journal of the American Chemical Society","2015","137","26","8644","8653","10.1021/jacs.5b04917","","","0.78471","synchrotron","","0.0976","0.0922","","","0.3107","0.3193","","","","","","1.53","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124213","21.6751","0.0019","21.6751","0.0019","9.526","0.002","90","","90","","90","","4475.4","1.1","296","2","296","2","300000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.102","0.0831","","","0.2343","0.2714","","","","","","0.922","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124214","21.537","0.002","21.537","0.002","9.417","0.003","90","","90","","90","","4368","1.5","296","2","296","2","660000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1203","0.0973","","","0.2863","0.3358","","","","","","1.141","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124215","21.499","0.004","21.499","0.004","9.41","0.003","90","","90","","90","","4349.4","1.8","296","2","296","2","760000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1108","0.0849","","","0.2372","0.2892","","","","","","1.159","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124216","21.3237","0.0018","21.3237","0.0018","9.287","0.002","90","","90","","90","","4222.8","1","296","2","296","2","1270000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1207","0.1048","","","0.2877","0.3217","","","","","","1.198","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124217","21.2734","0.0017","21.2734","0.0017","9.258","0.003","90","","90","","90","","4189.8","1.4","296","2","296","2","1400000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.0956","0.0768","","","0.2093","0.245","","","","","","1.155","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124218","21.1568","0.0005","21.1568","0.0005","9.303","0.004","90","","90","","90","","4164.1","1.8","296","2","296","2","1500000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.0736","0.0547","","","0.1205","0.1345","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124219","21.0887","0.0005","21.0887","0.0005","9.254","0.003","90","","90","","90","","4115.6","1.3","296","2","296","2","1980000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.0601","0.0423","","","0.1075","0.1207","","","","","","1.184","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124220","20.897","0.015","20.897","0.015","9.21","0.014","90","","90","","90","","4022","7","296","2","296","2","2420000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1182","0.0772","","","0.1893","0.2152","","","","","","1.146","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124221","21.14","0.003","21.14","0.003","8.903","0.002","90","","90","","90","","3978.7","1.2","296","2","296","2","2710000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1413","0.1129","","","0.3092","0.3485","","","","","","1.182","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124222","21.6165","0.0006","21.6165","0.0006","9.5995","0.0009","90","","90","","90","","4485.6","0.5","296","2","296","2","120000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1265","0.0618","","","0.1298","0.1588","","","","","","1.11","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124223","21.4","0.003","21.4","0.003","9.438","0.002","90","","90","","90","","4322.2","1.3","296","2","296","2","550000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1671","0.0955","","","0.2223","0.2718","","","","","","1.164","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124224","21.116","0.003","21.116","0.003","9.5","0.03","90","","90","","90","","4236","13","296","2","296","2","890000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1663","0.0816","","","0.1891","0.234","","","","","","1.198","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124225","20.986","0.002","20.986","0.002","9.26","0.03","90","","90","","90","","4078","13","296","2","296","2","1550000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1656","0.0677","","","0.1307","0.1615","","","","","","1.157","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124226","20.717","0.002","20.717","0.002","9.222","0.006","90","","90","","90","","3958","3","296","2","296","2","1870000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.2107","0.0758","","","0.153","0.2195","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124227","20.6","0.02","20.6","0.02","9.16","0.02","90","","90","","90","","3887","10","296","2","296","2","2120000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.197","0.0766","","","0.1662","0.2199","","","","","","1.128","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124228","20.546","0.005","20.546","0.005","9.061","0.017","90","","90","","90","","3825","7","296","2","296","2","2360000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.3042","0.0775","","","0.1058","0.1628","","","","","","0.912","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124229","20.47","0.02","20.47","0.02","9.24","0.02","90","","90","","90","","3872","10","296","2","296","2","2600000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.486","0.1896","","","0.2743","0.3697","","","","","","1.19","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124230","20.47","0.004","20.47","0.004","9.1","0.1","90","","90","","90","","3813","4","296","2","296","2","2880000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.2092","0.0439","","","0.0753","0.1285","","","","","","0.853","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124231","8.5929","0.0002","14.0278","0.0004","18.1009","0.0005","94.727","0.002","101.424","0.002","101.368","0.002","2079.88","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H110 N8 O2 P -","- C98 H110 N8 O2 P -","- C98 H110 N8 O2 P -","1","0.5","","Yoshida, Takuya; Zhou, Wen; Furuyama, Taniyuki; Leznoff, Daniel B.; Kobayashi, Nagao","An Extremely Air-Stable 19π Porphyrinoid.","Journal of the American Chemical Society","2015","137","29","9258","9261","10.1021/jacs.5b05781","","","1.54178","CuKα","","0.0584","0.0472","","","0.1082","0.1172","","","","","","1.073","","","","has coordinates,has disorder","152747","2020-10-21","18:00:00",""
"4124232","8.6152","0.0006","9.5235","0.0005","32.448","0.002","90","","90","","90","","2662.3","0.3","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O5 S -","- C28 H26 N2 O5 S -","- C112 H104 N8 O20 S4 -","4","1","","Zheng, Peng-Fei; Ouyang, Qin; Niu, Sheng-Li; Shuai, Li; Yuan, Yi; Jiang, Kun; Liu, Tian-Yu; Chen, Ying-Chun","Enantioselective [4 + 1] Annulation Reactions of α-Substituted Ammonium Ylides To Construct Spirocyclic Oxindoles.","Journal of the American Chemical Society","2015","137","29","9390","9399","10.1021/jacs.5b04792","","","0.71073","MoKα","","0.1008","0.0665","","","0.1592","0.1806","","","","","","1.035","","","","has coordinates","152748","2020-10-21","18:00:00",""
"4124233","9.59553","0.00009","33.0018","0.0003","15.41951","0.00015","90","","97.5416","0.001","90","","4840.65","0.08","100.05","0.1","100.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Re(DPPBT)~3~H","(diphenylphosphinobenzenethiol) (bis-diphenylphosphinobenzenethiolate)rhenium(II) hexafluorophosphate","","- C54 H43 F6 P4 Re S3 -","- C54 H43 F6 P4 Re S3 -","- C216 H172 F24 P16 Re4 S12 -","4","1","","Haddad, Andrew Z.; Kumar, Davinder; Ouch Sampson, Kagna; Matzner, Anna M.; Mashuta, Mark S.; Grapperhaus, Craig A.","Proposed Ligand-Centered Electrocatalytic Hydrogen Evolution and Hydrogen Oxidation at a Noninnocent Mononuclear Metal-Thiolate.","Journal of the American Chemical Society","2015","137","29","9238","9241","10.1021/jacs.5b05561","","","0.71073","MoKα","","0.0328","0.0292","","","0.0767","0.0787","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124234","9.82948","0.0001","23.6668","0.0002","25.0735","0.0003","90","","94.0071","0.0009","90","","5818.65","0.1","100.05","0.1","100.05","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Re(DPPBT)~3~H triflate","(diphenylphosphinobenzenethiol) (bis-diphenylphosphinobenzenethiolate)rhenium(II) triflate","","- C57 H44 Cl6 F3 O3 P3 Re S4 -","- C57 H44 Cl6 F3 O3 P3 Re S4 -","- C228 H176 Cl24 F12 O12 P12 Re4 S16 -","4","1","","Haddad, Andrew Z.; Kumar, Davinder; Ouch Sampson, Kagna; Matzner, Anna M.; Mashuta, Mark S.; Grapperhaus, Craig A.","Proposed Ligand-Centered Electrocatalytic Hydrogen Evolution and Hydrogen Oxidation at a Noninnocent Mononuclear Metal-Thiolate.","Journal of the American Chemical Society","2015","137","29","9238","9241","10.1021/jacs.5b05561","","","0.71073","MoKα","","0.042","0.0373","","","0.1195","0.1242","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124235","9.9223","0.0008","14.5222","0.0011","19.3498","0.0015","90","","90","","90","","2788.2","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H47 Cl N Rh -","- C31 H47 Cl N Rh -","- C124 H188 Cl4 N4 Rh4 -","4","1","","Wei, Yu; Rao, Bin; Cong, Xuefeng; Zeng, Xiaoming","Highly Selective Hydrogenation of Aromatic Ketones and Phenols Enabled by Cyclic (Amino)(alkyl)carbene Rhodium Complexes.","Journal of the American Chemical Society","2015","137","29","9250","9253","10.1021/jacs.5b05868","","","0.71073","MoKα","","0.0185","0.0177","","","0.0452","0.0454","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124236","7.0637","0.0014","10.933","0.002","15.053","0.003","104.402","0.007","90.537","0.007","96.735","0.007","1117.3","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H37 N O2 S -","- C23 H37 N O2 S -","- C46 H74 N2 O4 S2 -","2","1","","Romanov-Michailidis, Fedor; Sedillo, Kassandra F.; Neely, Jamie M.; Rovis, Tomislav","Expedient Access to 2,3-Dihydropyridines from Unsaturated Oximes by Rh(III)-Catalyzed C-H Activation.","Journal of the American Chemical Society","2015","137","28","8892","8895","10.1021/jacs.5b04946","","","0.71073","MoKα","","0.1371","0.0603","","","0.1309","0.1626","","","","","","1.031","","","","has coordinates","152752","2020-10-21","18:00:00",""
"4124237","13.0864","0.0001","19.3897","0.0002","14.4296","0.0001","90","","96.126","0.001","90","","3640.48","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 F6 Mn N6 O8 S2 -","- C31 H31 F6 Mn N6 O8 S2 -","- C124 H124 F24 Mn4 N24 O32 S8 -","4","1","","Yu, Meng; Ambrose, Stephen L.; Whaley, Zachary L.; Fan, Sanjun; Gorden, John D.; Beyers, Ronald J.; Schwartz, Dean D.; Goldsmith, Christian R.","Correction to ""A Mononuclear Manganese(II) Complex Demonstrates a Strategy To Simultaneously Image and Treat Oxidative Stress"".","Journal of the American Chemical Society","2015","137","28","9195","","10.1021/jacs.5b06259","","","1.54178","CuKα","","0.1232","0.1098","","","0.303","0.3183","","","","","","1.064","","","","has coordinates","152753","2020-10-21","18:00:00",""
"4124238","11.3216","0.0006","13.9782","0.0007","28.6736","0.0015","90","","96.2934","0.0011","90","","4510.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H39 Ir P2 -","- C22 H39 Ir P2 -","- C176 H312 Ir8 P16 -","8","2","","Kumar, Akshai; Zhou, Tian; Emge, Thomas J.; Mironov, Oleg; Saxton, Robert J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Dehydrogenation of n-Alkanes by Solid-Phase Molecular Pincer-Iridium Catalysts. High Yields of α-Olefin Product.","Journal of the American Chemical Society","2015","137","31","9894","9911","10.1021/jacs.5b05313","","","0.71073","MoKα","","0.0555","0.0345","","","0.079","0.0882","","","","","","1.007","","","","has coordinates,has disorder","154640","2020-10-21","18:00:00",""
"4124239","15.9778","0.0001","10.3207","0.0001","21.4271","0.0001","90","","105.394","0.0006","90","","3406.6","0.04","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ti(N2iPrN){N(H)SiHPh2}(NPh2)","","- C35 H47 N5 Si Ti -","- C35 H47 N5 Si Ti -","- C140 H188 N20 Si4 Ti4 -","4","1","","Stevenson, Laura C.; Mellino, Simona; Clot, Eric; Mountford, Philip","Reactions of Titanium Hydrazides with Silanes and Boranes: N-N Bond Cleavage and N Atom Functionalization.","Journal of the American Chemical Society","2015","137","32","10140","10143","10.1021/jacs.5b06627","","","1.5418","CuKα","","0.0347","0.0328","","0.0228","0.0226","0.0224","","","","","","1.0535","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124240","10.2115","0.0001","15.0835","0.0002","20.0607","0.0003","90","","96.9475","0.0005","90","","3067.16","0.07","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ti(N2iPrN){N(H)BC8H14}(NPh2)","","- C31 H50 B N5 Ti -","- C31 H50 B N5 Ti -","- C124 H200 B4 N20 Ti4 -","4","1","","Stevenson, Laura C.; Mellino, Simona; Clot, Eric; Mountford, Philip","Reactions of Titanium Hydrazides with Silanes and Boranes: N-N Bond Cleavage and N Atom Functionalization.","Journal of the American Chemical Society","2015","137","32","10140","10143","10.1021/jacs.5b06627","","","0.71073","MoKα","","0.0691","0.0597","","0.0499","0.0465","0.0457","","","","","","1.0624","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124241","10.3975","0.0001","17.0393","0.0002","17.1711","0.0002","90","","99.4352","0.0011","90","","3000.98","0.06","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ti(N2iPrNMe)((u-H)2BC8H14)(NPh2)","","- C31 H51 B N4 Ti -","- C31 H51 B N4 Ti -","- C124 H204 B4 N16 Ti4 -","4","1","","Stevenson, Laura C.; Mellino, Simona; Clot, Eric; Mountford, Philip","Reactions of Titanium Hydrazides with Silanes and Boranes: N-N Bond Cleavage and N Atom Functionalization.","Journal of the American Chemical Society","2015","137","32","10140","10143","10.1021/jacs.5b06627","","","1.5418","CuKα","","0.0384","0.0351","","0.0105","0.0103","0.0103","","","","","","1.0936","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124242","15.3311","0.0001","10.3463","0.0001","19.7754","0.0002","90","","111.019","0.001","90","","2928.07","0.05","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cp*Ti(H){MeC(NiPr)2){N(Bpin)N(Me2)}","","- C26 H51 B N4 O2 Ti -","- C26 H51 B N4 O2 Ti -","- C104 H204 B4 N16 O8 Ti4 -","4","1","","Stevenson, Laura C.; Mellino, Simona; Clot, Eric; Mountford, Philip","Reactions of Titanium Hydrazides with Silanes and Boranes: N-N Bond Cleavage and N Atom Functionalization.","Journal of the American Chemical Society","2015","137","32","10140","10143","10.1021/jacs.5b06627","","","1.5418","CuKα","","0.0453","0.044","","0.0494","0.0491","0.0489","","","","","","1.0514","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124243","8.667","0.0002","15.0475","0.0003","10.996","0.0003","90","","100.199","0.002","90","","1411.4","0.06","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","Cp*Ti{MeC(NiPr)2){(NBC8H14)}","","- C26 H46 B N3 Ti -","- C26 H46 B N3 Ti -","- C52 H92 B2 N6 Ti2 -","2","1","","Stevenson, Laura C.; Mellino, Simona; Clot, Eric; Mountford, Philip","Reactions of Titanium Hydrazides with Silanes and Boranes: N-N Bond Cleavage and N Atom Functionalization.","Journal of the American Chemical Society","2015","137","32","10140","10143","10.1021/jacs.5b06627","","","1.5418","CuKα","","0.0797","0.0757","","0.09","0.0835","0.0823","","","","","","0.9361","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124244","8.4158","0.0014","15.141","0.002","21.41","0.003","90","","90","","90","","2728.1","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 Br N2 O2 S -","- C31 H29 Br N2 O2 S -","- C124 H116 Br4 N8 O8 S4 -","4","1","","Chai, Zhuo; Zhu, You-Min; Yang, Pei-Jun; Wang, Shaoyin; Wang, Shaowu; Liu, Zhen; Yang, Gaosheng","Copper(I)-Catalyzed Kinetic Resolution of N-Sulfonylaziridines with Indoles: Efficient Construction of Pyrroloindolines.","Journal of the American Chemical Society","2015","137","32","10088","10091","10.1021/jacs.5b05820","","","0.71073","MoKα","","0.0815","0.0461","","","0.1223","0.1375","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124245","17.7797","0.0004","22.7717","0.0004","31.2128","0.0007","90","","90","","90","","12637.3","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C124.63 H129.15 F9 Lu N9 O22.63 S3 -","- C124.635 H129.175 F9 Lu N9 O22.635 S3 -","- C498.54 H516.7 F36 Lu4 N36 O90.54 S12 -","4","1","","Zhang, Gen; Gil-Ramírez, Guzmán; Markevicius, Augustinas; Browne, Colm; Vitorica-Yrezabal, Iñigo J; Leigh, David A.","Lanthanide Template Synthesis of Trefoil Knots of Single Handedness.","Journal of the American Chemical Society","2015","137","32","10437","10442","10.1021/jacs.5b07069","","x-ray","1.54184","CuKα","","0.0864","0.0704","","","0.1965","0.2147","","","","","","1.039","","","","has coordinates,has disorder","154661","2020-10-21","18:00:00",""
"4124246","17.4187","0.0002","23.0655","0.0003","31.3641","0.0004","90","","90","","90","","12601.2","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C124 H127.02 Eu F9 N9 O22 S3 -","- C124 H127 Eu F9 N9 O22 S3 -","- C496 H508 Eu4 F36 N36 O88 S12 -","4","1","","Zhang, Gen; Gil-Ramírez, Guzmán; Markevicius, Augustinas; Browne, Colm; Vitorica-Yrezabal, Iñigo J; Leigh, David A.","Lanthanide Template Synthesis of Trefoil Knots of Single Handedness.","Journal of the American Chemical Society","2015","137","32","10437","10442","10.1021/jacs.5b07069","","x-ray","0.6889","","","0.0831","0.0755","","","0.2129","0.2214","","","","","","1.076","","","","has coordinates,has disorder","154661","2020-10-21","18:00:00",""
"4124247","50.72","0.03","50.72","0.03","15.502","0.007","90","","90","","120","","34536","3","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C54 H32 O49.44 Zr3 -","- C54 H32 O49.4368 Zr3 -","- C324 H192 O296.621 Zr18 -","6","0.25","","Zhang, Qiang; Su, Jie; Feng, Dawei; Wei, Zhangwen; Zou, Xiaodong; Zhou, Hong-Cai","Piezofluorochromic Metal-Organic Framework: A Microscissor Lift.","Journal of the American Chemical Society","2015","137","32","10064","10067","10.1021/jacs.5b04695","powder diffraction","","0.72959","synchrotron","","","","","","","","","0.00369","2.019","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124248","3.927","0.007","21.98","0.04","15.32","0.03","90","","101.32","0.04","90","","1297","4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl2 F N2 O2 -","- C13 H7 Cl2 F N2 O2 -","- C52 H28 Cl8 F4 N8 O8 -","4","1","","Ghosh, Soumyajit; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","Dual Stress and Thermally Driven Mechanical Properties of the Same Organic Crystal: 2,6-Dichlorobenzylidene-4-fluoro-3-nitroaniline.","Journal of the American Chemical Society","2015","137","31","9912","9921","10.1021/jacs.5b05324","","","0.71073","MoKα","","0.1261","0.105","","","0.324","0.3406","","","","","","1.158","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124249","3.877","0.007","21.79","0.04","15.21","0.03","90","","101.82","0.04","90","","1258","4","248","","248","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl2 F N2 O2 -","- C13 H7 Cl2 F N2 O2 -","- C52 H28 Cl8 F4 N8 O8 -","4","1","","Ghosh, Soumyajit; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","Dual Stress and Thermally Driven Mechanical Properties of the Same Organic Crystal: 2,6-Dichlorobenzylidene-4-fluoro-3-nitroaniline.","Journal of the American Chemical Society","2015","137","31","9912","9921","10.1021/jacs.5b05324","","","0.71073","MoKα","","0.1236","0.1073","","","0.3074","0.3191","","","","","","1.113","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124250","3.8719","0.0014","21.799","0.008","15.258","0.005","90","","101.374","0.018","90","","1262.5","0.8","198","","198","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl2 F N2 O2 -","- C13 H7 Cl2 F N2 O2 -","- C52 H28 Cl8 F4 N8 O8 -","4","1","","Ghosh, Soumyajit; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","Dual Stress and Thermally Driven Mechanical Properties of the Same Organic Crystal: 2,6-Dichlorobenzylidene-4-fluoro-3-nitroaniline.","Journal of the American Chemical Society","2015","137","31","9912","9921","10.1021/jacs.5b05324","","","0.71073","MoKα","","0.1199","0.104","","","0.2879","0.2987","","","","","","1.14","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124251","3.85","0.003","21.798","0.019","15.282","0.014","90","","101.06","0.02","90","","1258.7","1.9","148","","148","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl2 F N2 O2 -","- C13 H7 Cl2 F N2 O2 -","- C52 H28 Cl8 F4 N8 O8 -","4","1","","Ghosh, Soumyajit; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","Dual Stress and Thermally Driven Mechanical Properties of the Same Organic Crystal: 2,6-Dichlorobenzylidene-4-fluoro-3-nitroaniline.","Journal of the American Chemical Society","2015","137","31","9912","9921","10.1021/jacs.5b05324","","","0.71073","MoKα","","0.1103","0.0658","","","0.1759","0.2386","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124252","3.796","0.009","21.57","0.05","15.14","0.03","90","","100.77","0.05","90","","1218","5","98","","98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl2 F N2 O2 -","- C13 H7 Cl2 F N2 O2 -","- C52 H28 Cl8 F4 N8 O8 -","4","1","","Ghosh, Soumyajit; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","Dual Stress and Thermally Driven Mechanical Properties of the Same Organic Crystal: 2,6-Dichlorobenzylidene-4-fluoro-3-nitroaniline.","Journal of the American Chemical Society","2015","137","31","9912","9921","10.1021/jacs.5b05324","","","0.71073","MoKα","","0.1332","0.1079","","","0.2882","0.3052","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124253","22.398","0.01","14.93","0.006","22.677","0.01","90","","117.472","0.006","90","","6728","5","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H55 Cl N2 Ti -","- C38 H55 Cl N2 Ti -","- C304 H440 Cl8 N16 Ti8 -","8","2","","Valadez, Travis N.; Norton, Jack R.; Neary, Michelle C.","Reaction of Cp*(Cl)M(Diene) (M = Ti, Hf) with Isonitriles.","Journal of the American Chemical Society","2015","137","32","10152","10155","10.1021/jacs.5b06654","","","0.71073","MoKα","","0.1883","0.0965","","","0.2524","0.3226","","","","","","1.03","","","","has coordinates","154663","2020-10-21","18:00:00",""
"4124254","20.797","0.018","8.479","0.007","18.876","0.016","90","","114.132","0.015","90","","3038","4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 Cl Hf N2 -","- C33.99 H42.985 Cl Hf N2 -","- C135.96 H171.94 Cl4 Hf4 N8 -","4","1","","Valadez, Travis N.; Norton, Jack R.; Neary, Michelle C.","Reaction of Cp*(Cl)M(Diene) (M = Ti, Hf) with Isonitriles.","Journal of the American Chemical Society","2015","137","32","10152","10155","10.1021/jacs.5b06654","","","0.71073","MoKα","","0.1275","0.0666","","","0.1245","0.1428","","","","","","1.003","","","","has coordinates,has disorder","154663","2020-10-21","18:00:00",""
"4124255","11.374","0.0006","12.3617","0.0006","15.9539","0.0011","104.163","0.007","100.372","0.007","103.601","0.008","2045.7","0.2","203","2","203","2","","","","","","","","3","P 1","P 1","1","","(2R,4aR,9aS,10R,10aR)-10-(benzyloxy)-7-methylene-2- phenyloctahydro-4H-pyrano[2',3':5,6]pyrano[3,2-d][1,3]dioxine","","- C24 H26 O5 -","- C24 H26 O5 -","- C96 H104 O20 -","4","4","","Adero, Philip O.; Furukawa, Takayuki; Huang, Min; Mukherjee, Debaraj; Retailleau, Pascal; Bohé, Luis; Crich, David","Cation Clock Reactions for the Determination of Relative Reaction Kinetics in Glycosylation Reactions: Applications to Gluco- and Mannopyranosyl Sulfoxide and Trichloroacetimidate Type Donors.","Journal of the American Chemical Society","2015","137","32","10336","10345","10.1021/jacs.5b06126","","","1.54187","CuKα","","0.071","0.045","","","0.0972","0.1354","","","","","","1.19","","","","has coordinates","154664","2020-10-21","18:00:00",""
"4124256","11.1588","0.0006","9.3746","0.0006","12.4312","0.0007","90","","97.56","0.003","90","","1289.12","0.13","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H34 O5 -","- C31 H34 O5 -","- C62 H68 O10 -","2","1","","Adero, Philip O.; Furukawa, Takayuki; Huang, Min; Mukherjee, Debaraj; Retailleau, Pascal; Bohé, Luis; Crich, David","Cation Clock Reactions for the Determination of Relative Reaction Kinetics in Glycosylation Reactions: Applications to Gluco- and Mannopyranosyl Sulfoxide and Trichloroacetimidate Type Donors.","Journal of the American Chemical Society","2015","137","32","10336","10345","10.1021/jacs.5b06126","","","0.71073","MoKα","","0.0489","0.0416","","","0.1162","0.1227","","","","","","0.934","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124257","12.331","0.0019","23.721","0.004","18.341","0.003","90","","94.46","0.002","90","","5348.6","1.5","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C105 H0 La2 N0 Ni0 S6 -","- C105 La2 S6 -","- C420 La8 S24 -","4","1","","Cai, Wenting; Bao, Lipiao; Zhao, Shasha; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Anomalous Compression of D5(450)-C100 by Encapsulating La2C2 Cluster instead of La2.","Journal of the American Chemical Society","2015","137","32","10292","10296","10.1021/jacs.5b05668","","","0.71073","MoKα","","0.1717","0.1246","","","0.3973","0.4384","","","","","","1.653","","","","has coordinates,has disorder","154668","2020-10-21","18:00:00",""
"4124258","8.8064","0.00016","5.77199","0.0001","11.9726","0.0002","90","","111.463","0.0011","90","","566.371","0.018","90","","90","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C30 H24 O6 -","2","1","","Egami, Hiromichi; Asada, Junshi; Sato, Kentaro; Hashizume, Daisuke; Kawato, Yuji; Hamashima, Yoshitaka","Asymmetric Fluorolactonization with a Bifunctional Hydroxyl Carboxylate Catalyst.","Journal of the American Chemical Society","2015","137","32","10132","10135","10.1021/jacs.5b06546","","","1.54184","CuKα","","0.0352","0.033","","","0.0783","0.0875","","","","","","1.099","","","","has coordinates","154660","2020-10-21","18:00:00",""
"4124259","6.3335","0.0006","38.2","0.003","19.9859","0.0012","90","","92.539","0.007","90","","4830.6","0.7","180.01","0.11","180.01","0.11","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 O12 Si2 -","- C48 H72 O12 Si2 -","- C192 H288 O48 Si8 -","4","1","","You, Lin; Liang, Xin-Ting; Xu, Ling-Min; Wang, Yue-Fan; Zhang, Jia-Jun; Su, Qi; Li, Yuan-He; Zhang, Bo; Yang, Shou-Liang; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Propindilactone G.","Journal of the American Chemical Society","2015","137","32","10120","10123","10.1021/jacs.5b06480","","","0.7107","MoKα","","0.0752","0.0545","","","0.1243","0.131","","","","","","1.066","","","","has coordinates","154667","2020-10-21","18:00:00",""
"4124260","6.3154","0.001","11.6172","0.0016","35.175","0.004","90","","90.05","","90","","2580.7","0.6","180.01","0.1","180.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 O8 -","- C29 H38 O8 -","- C116 H152 O32 -","4","1","","You, Lin; Liang, Xin-Ting; Xu, Ling-Min; Wang, Yue-Fan; Zhang, Jia-Jun; Su, Qi; Li, Yuan-He; Zhang, Bo; Yang, Shou-Liang; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Propindilactone G.","Journal of the American Chemical Society","2015","137","32","10120","10123","10.1021/jacs.5b06480","","","0.71073","MoKα","","0.0899","0.0575","","","0.1218","0.1393","","","","","","1.032","","","","has coordinates","154667","2020-10-21","18:00:00",""
"4124261","3.6802","0.0005","3.6802","0.0005","5.0307","0.0007","90","","90","","90","","68.135","0.016","298","","298","","","","","","","","","2","P 4/n m m :2","-P 4a 2a","129","","","","- Fe S -","- Fe S -","- Fe2 S2 -","2","0.125","","Lai, Xiaofang; Zhang, Hui; Wang, Yingqi; Wang, Xin; Zhang, Xian; Lin, Jianhua; Huang, Fuqiang","Observation of Superconductivity in Tetragonal FeS.","Journal of the American Chemical Society","2015","137","32","10148","10151","10.1021/jacs.5b06687","powder diffraction","","1.5418","CuKα","","","","","","","","","1.2598","1.16","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124262","25.702","0.002","41.352","0.003","42.316","0.004","85.374","0.005","86.233","0.006","88.853","0.006","44726","6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C350 H350 Au130 S50 -","- C88 Au130 S50 -","- C352 Au520 S200 -","4","2","","Chen, Yuxiang; Zeng, Chenjie; Liu, Chong; Kirschbaum, Kristin; Gayathri, Chakicherla; Gil, Roberto R.; Rosi, Nathaniel L.; Jin, Rongchao","Crystal Structure of Barrel-Shaped Chiral Au130(p-MBT)50 Nanocluster.","Journal of the American Chemical Society","2015","137","32","10076","10079","10.1021/jacs.5b05378","","","1.54178","CuKα","","0.2895","0.2053","","","0.4925","0.5256","","","","","","1.88","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4124263","21.1116","0.0009","14.6974","0.0006","25.2571","0.0011","90","","96.565","0.002","90","","7785.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sc2C2@C2v(9)-C86 . Ni(OEP) . 2 C7H8","","","- C138 H60 N4 Ni Sc2 -","- C138 H60 N4 Ni Sc2 -","- C552 H240 N16 Ni4 Sc8 -","4","1","","Chen, Chia-Hsiang; Ghiassi, Kamran B.; Cerón, Maira R; Guerrero-Ayala, Miguel A; Echegoyen, Luis; Olmstead, Marilyn M.; Balch, Alan L.","Beyond the Butterfly: Sc2C2@C2v(9)-C86, an Endohedral Fullerene Containing a Planar, Twisted Sc2C2 Unit with Remarkable Crystalline Order in an Unprecedented Carbon Cage.","Journal of the American Chemical Society","2015","137","32","10116","10119","10.1021/jacs.5b06425","","","0.7749","synchrotron","","0.0685","0.0493","","","0.1111","0.1224","","","","","","1.023","","","","has coordinates,has disorder","154659","2020-10-21","18:00:00",""
"4124264","20.3453","0.0014","20.5485","0.0014","24.4033","0.0017","93.763","0.003","98.158","0.004","100.57","0.003","9883.4","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C166.5 H111 B7.75 F44.5 Fe4 N53.25 O S0.5 -","- C166.5 H111 B7.75 F44.5 Fe4 N53.25 O S0.5 -","- C333 H222 B15.5 F89 Fe8 N106.5 O2 S -","2","1","","Roberts, Derrick A.; Pilgrim, Ben S.; Cooper, Jonathan D.; Ronson, Tanya K.; Zarra, Salvatore; Nitschke, Jonathan R.","Post-assembly Modification of Tetrazine-Edged Fe(II)4L6 Tetrahedra.","Journal of the American Chemical Society","2015","137","32","10068","10071","10.1021/jacs.5b05080","","","0.6889","synchrotron","","0.1409","0.1117","","","0.3063","0.3314","","","","","","0.985","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124265","25.1666","0.0011","25.5055","0.0009","37.0688","0.0015","90","","90.871","0.002","90","","23791.2","1.6","180","2","180","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C211 H172.5 B2 F44 Fe4 N51.5 O24 S12 -","- C211 H172.5 B2 F44 Fe4 N51.5 O24 S12 -","- C844 H690 B8 F176 Fe16 N206 O96 S48 -","4","1","","Roberts, Derrick A.; Pilgrim, Ben S.; Cooper, Jonathan D.; Ronson, Tanya K.; Zarra, Salvatore; Nitschke, Jonathan R.","Post-assembly Modification of Tetrazine-Edged Fe(II)4L6 Tetrahedra.","Journal of the American Chemical Society","2015","137","32","10068","10071","10.1021/jacs.5b05080","","","1.54178","CuKα","","0.1357","0.0896","","","0.2245","0.251","","","","","","1.042","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124266","16.305","0.0013","19.6419","0.0015","18.129","0.0014","90","","93.213","0.003","90","","5796.9","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 F12 N5 O4 P2 Ru -","- C27 H19 F12 N5 O4 P2 Ru -","- C216 H152 F96 N40 O32 P16 Ru8 -","8","2","","Matheu, Roc; Ertem, Mehmed Z.; Benet-Buchholz, Jordi; Coronado, Eugenio; Batista, Victor S.; Sala, Xavier; Llobet, Antoni","Intramolecular proton transfer boosts water oxidation catalyzed by a Ru complex.","Journal of the American Chemical Society","2015","","","150812101708002","","10.1021/jacs.5b06541","","","0.71073","MoKα","","0.1346","0.0728","","","0.1537","0.1855","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124267","18.7358","0.0007","28.704","0.0011","9.5921","0.0004","90","","90","","90","","5158.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H24 N5 O5.5 Ru -","- C28 H24 N5 O5.5 Ru -","- C224 H192 N40 O44 Ru8 -","8","2","","Matheu, Roc; Ertem, Mehmed Z.; Benet-Buchholz, Jordi; Coronado, Eugenio; Batista, Victor S.; Sala, Xavier; Llobet, Antoni","Intramolecular proton transfer boosts water oxidation catalyzed by a Ru complex.","Journal of the American Chemical Society","2015","","","150812101708002","","10.1021/jacs.5b06541","","","0.71073","MoKα","","0.0439","0.0384","","","0.088","0.091","","","","","","1.03","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124268","8.6402","0.0008","15.9864","0.0015","19.0675","0.0017","91.533","0.003","92.887","0.003","96.953","0.004","2609.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H19 F6 N5 O4 P Ru -","- C27 H19 F6 N5 O4 P Ru -","- C108 H76 F24 N20 O16 P4 Ru4 -","4","2","","Matheu, Roc; Ertem, Mehmed Z.; Benet-Buchholz, Jordi; Coronado, Eugenio; Batista, Victor S.; Sala, Xavier; Llobet, Antoni","Intramolecular proton transfer boosts water oxidation catalyzed by a Ru complex.","Journal of the American Chemical Society","2015","","","150812101708002","","10.1021/jacs.5b06541","","","0.71073","MoKα","","0.112","0.0689","","","0.1222","0.1365","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124269","6.9326","0.0002","20.5641","0.0005","17.2667","0.0005","90","","94.577","0.002","90","","2453.74","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Cpting-05280-Major-P1","maimone55","","- C27 H42 O3 -","- C27 H42 O3 -","- C108 H168 O12 -","4","1","","Ting, Chi P.; Maimone, Thomas J.","Total Synthesis of Hyperforin.","Journal of the American Chemical Society","2015","","","150813145147009","","10.1021/jacs.5b06939","","","1.54178","CuKα","","0.0678","0.0437","","","0.1054","0.1166","","","","","","1.019","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4124270","4.5123","0.0007","13.439","0.002","11.8813","0.0019","90","","95.021","0.002","90","","717.73","0.19","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H5 N7 O3 -","- C3 H5 N7 O3 -","- C12 H20 N28 O12 -","4","1","","Zhang, Jiaheng; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Layer-by-layer Stacking of Energetic Salts towards High-performance Insensitive Energetic Materials.","Journal of the American Chemical Society","2015","","","150814061208001","","10.1021/jacs.5b07852","","","0.71073","MoKα","","0.0343","0.0314","","","0.0824","0.0846","","","","","","1.133","","","","has coordinates,has disorder","153435","2020-10-21","18:00:00",""
"4124271","6.7317","0.0015","17.461","0.004","6.6634","0.0015","90","","109.764","0.005","90","","737.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N8 O3 -","- C3 H6 N8 O3 -","- C12 H24 N32 O12 -","4","1","","Zhang, Jiaheng; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Layer-by-layer Stacking of Energetic Salts towards High-performance Insensitive Energetic Materials.","Journal of the American Chemical Society","2015","","","150814061208001","","10.1021/jacs.5b07852","","","1.54178","CuKα","","0.0333","0.0301","","","0.0789","0.0818","","","","","","1.051","","","","has coordinates","153436","2020-10-21","18:00:00",""
"4124272","6.6282","0.0001","9.0232","0.0002","13.2843","0.0002","90","","99.631","0.001","90","","783.3","0.02","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N9 O2 -","- C3 H7 N9 O2 -","- C12 H28 N36 O8 -","4","1","","Zhang, Jiaheng; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Layer-by-layer Stacking of Energetic Salts towards High-performance Insensitive Energetic Materials.","Journal of the American Chemical Society","2015","","","150814061208001","","10.1021/jacs.5b07852","","","1.54178","CuKα","","0.0397","0.0394","","","0.1049","0.1054","","","","","","1.084","","","","has coordinates","153437","2020-10-21","18:00:00",""
"4124273","11.307","0.0009","12.8847","0.001","17.5087","0.0013","82.264","0.002","75.065","0.002","84.322","0.002","2436.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51.07 H78 Fe3 N6 O2.12 -","- C51.07 H78 Fe3 N6 O2.14 -","- C102.14 H156 Fe6 N12 O4.28 -","2","1","","Lee, Yousoon; Anderton, Kevin J.; Sloane, Forrest T.; Ermert, David M.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.","Reactivity of Hydride Bridges in High-Spin [3M-3(μ-H)] Clusters (M = Fe(II), Co(II)).","Journal of the American Chemical Society","2015","","","150817071736007","","10.1021/jacs.5b05204","","","0.71073","MoKα","","0.1058","0.045","","","0.0765","0.0875","","","","","","0.866","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124274","12.0292","0.0006","12.4274","0.0006","17.1641","0.0008","103.454","0.001","101.378","0.001","91.08","0.001","2440.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H71 Br3 Co3 N6 O -","- C49 H71 Br3 Co3 N6 O -","- C98 H142 Br6 Co6 N12 O2 -","2","1","","Lee, Yousoon; Anderton, Kevin J.; Sloane, Forrest T.; Ermert, David M.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.","Reactivity of Hydride Bridges in High-Spin [3M-3(μ-H)] Clusters (M = Fe(II), Co(II)).","Journal of the American Chemical Society","2015","","","150817071736007","","10.1021/jacs.5b05204","","","0.71073","MoKα","","0.0499","0.0344","","","0.0967","0.1007","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124275","9.016","0.0003","9.016","0.0003","3.9403","0.0002","90","","90","","120","","277.388","0.019","293","2","293","2","","","","","","","","5","P -6 2 m","P -6 -2","189","","","","- C F Mg O3 Rb -","- C F Mg O3 Rb -","- C3 F3 Mg3 O9 Rb3 -","3","0.25","","Tran, T. Thao; He, Jiangang; Rondinelli, James M.; Halasyamani, P. Shiv","RbMgCO3F: A New Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material.","Journal of the American Chemical Society","2015","","","150814134038006","","10.1021/jacs.5b06519","","","0.71073","MoKα","","0.0087","0.0086","","","0.0199","0.0199","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124276","8.637","0.0001","14.8229","0.0002","16.2008","0.0002","85.64","0.001","84.1","0.001","82.119","0.001","2039.6","0.04","170","2","170","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H62 K N3 O2 Si6 Th -","- C22 H62 K N3 O2 Si6 Th -","- C44 H124 K2 N6 O4 Si12 Th2 -","2","1","","Bell, Nicola L.; Maron, Laurent; Arnold, Polly L.","Thorium Mono- and Bis(imido) Complexes Made by Reprotonation of cyclo-Metalated Amides.","Journal of the American Chemical Society","2015","","","150814165612001","","10.1021/jacs.5b06630","","","0.71073","MoKα","","0.0444","0.039","","","0.0912","0.0951","","","","","","1.099","","","","has coordinates","154654","2020-10-21","18:00:00",""
"4124277","12.2166","0.0004","14.0289","0.0005","19.5008","0.0007","84.295","0.003","82.139","0.003","71.601","0.003","3135.9","0.2","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H95 K N4 O6 Si6 Th -","- C42 H95 K N4 O6 Si6 Th -","- C84 H190 K2 N8 O12 Si12 Th2 -","2","1","","Bell, Nicola L.; Maron, Laurent; Arnold, Polly L.","Thorium Mono- and Bis(imido) Complexes Made by Reprotonation of cyclo-Metalated Amides.","Journal of the American Chemical Society","2015","","","150814165612001","","10.1021/jacs.5b06630","","","0.71073","MoKα","","0.0744","0.0453","","","0.0757","0.0828","","","","","","0.987","","","","has coordinates","154654","2020-10-21","18:00:00",""
"4124278","13.1981","0.0003","13.8897","0.0003","18.8942","0.0004","94.64","0.002","94.357","0.002","116.604","0.002","3062.21","0.13","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H86 K2 N4 O2 Si4 Th -","- C44 H86 K2 N4 O2 Si4 Th -","- C88 H172 K4 N8 O4 Si8 Th2 -","2","1","","Bell, Nicola L.; Maron, Laurent; Arnold, Polly L.","Thorium Mono- and Bis(imido) Complexes Made by Reprotonation of cyclo-Metalated Amides.","Journal of the American Chemical Society","2015","","","150814165612001","","10.1021/jacs.5b06630","","","0.71073","MoKα","","0.047","0.0367","","","0.089","0.0927","","","","","","1.028","","","","has coordinates,has disorder","154654","2020-10-21","18:00:00",""
"4124279","7.8946","0.0006","12.0793","0.0009","14.7171","0.0011","90","","90","","90","","1403.44","0.18","100","2","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","NTK-IV-86-I","","","- C18 H14 N2 -","- C18 H14 N2 -","- C72 H56 N8 -","4","1","","Kadunce, Nathaniel T.; Reisman, Sarah E.","Nickel-Catalyzed Asymmetric Reductive Cross-Coupling between Heteroaryl Iodides and α-Chloronitriles.","Journal of the American Chemical Society","2015","","","150813153136005","","10.1021/jacs.5b06466","","","1.54178","CuKα","","0.0277","0.0273","","","0.0712","0.0717","","","","","","1.059","","","","has coordinates","153467","2020-10-21","18:00:00",""
"4124280","24.6453","0.0007","19.6437","0.0005","19.8192","0.0006","90","","90.3251","0.0017","90","","9594.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C97.97 H145.53 N8 O4 Zr2 -","- C97.97 H145.528 N8 O4 Zr2 -","- C391.88 H582.112 N32 O16 Zr8 -","4","1","","Despagnet-Ayoub, Emmanuelle; Takase, Michael K.; Labinger, Jay A.; Bercaw, John E.","Reversible 1,2-Alkyl Migration to Carbene and Ammonia Activation in an NHC-Zirconium Complex.","Journal of the American Chemical Society","2015","","","150817104804004","","10.1021/jacs.5b06695","","","1.54178","CuKα","","0.0915","0.0652","","","0.1551","0.1704","","","","","","1.072","","","","has coordinates,has disorder","153474","2020-10-21","18:00:00",""
"4124281","8.806","0.0013","7.9706","0.0012","13.1908","0.0018","90","","91.445","0.003","90","","925.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 F2 N O2 S -","- C9 H5 F2 N O2 S -","- C36 H20 F8 N4 O8 S4 -","4","1","","Zhu, Dianhu; Gu, Yang; Lu, Long; Shen, Qilong","N-Difluoromethylthiophthalimide: A Shelf-Stable, Electrophilic Reagent for Difluoromethylthiolation.","Journal of the American Chemical Society","2015","","","150818092125007","","10.1021/jacs.5b03170","","","0.71073","MoKα","","0.0509","0.0407","","","0.1029","0.1096","","","","","","1.066","","","","has coordinates","153526","2020-10-21","18:00:00",""
"4124282","13.752","0.003","7.988","0.0017","31.023","0.007","90","","91.439","0.003","90","","3406.8","1.3","93","","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H45 N3 O Pd -","- C40 H45 N3 O Pd -","- C160 H180 N12 O4 Pd4 -","4","1","","Nakano, Ryo; Nozaki, Kyoko","Copolymerization of Propylene and Polar Monomers Using Pd/IzQO Catalysts.","Journal of the American Chemical Society","2015","137","34","10934","10937","10.1021/jacs.5b06948","","","0.71075","MoKα","","0.047","0.0405","","","0.0799","0.083","","","","","","1.116","","","","has coordinates","154647","2020-10-21","18:00:00",""
"4124283","24.908","0.013","8.305","0.004","19.609","0.01","90","","99.767","0.008","90","","3998","3","93","","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H52 N4 O2 Pd2 -","- C48 H52 N4 O2 Pd2 -","- C192 H208 N16 O8 Pd8 -","4","0.5","","Nakano, Ryo; Nozaki, Kyoko","Copolymerization of Propylene and Polar Monomers Using Pd/IzQO Catalysts.","Journal of the American Chemical Society","2015","137","34","10934","10937","10.1021/jacs.5b06948","","","0.71075","MoKα","","0.0474","0.0412","","","0.0882","0.0919","","","","","","1.117","","","","has coordinates","154647","2020-10-21","18:00:00",""
"4124284","6.0063","0.0004","12.1809","0.001","14.037","0.001","90","","95.397","0.002","90","","1022.42","0.13","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","1","","Cheng, Guolin; Li, Tuan-Jie; Yu, Jin-Quan","Practical Pd(II)-Catalyzed C-H Alkylation with Epoxides: One-Step Syntheses of 3,4-Dihydroisocoumarins.","Journal of the American Chemical Society","2015","137","34","10950","10953","10.1021/jacs.5b07507","","x-ray","0.71073","MoKα","","0.0509","0.038","","","0.0897","0.0973","","","","","","1.059","","","","has coordinates,has disorder","154648","2020-10-21","18:00:00",""
"4124285","21.2698","0.0009","9.5532","0.0003","24.2485","0.0012","90","","113.778","0.006","90","","4508.9","0.4","180.01","0.1","180.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C45 H11 F20 N4 O4 Pt -","- C45 H11 F20 N4 O4 Pt -","- C180 H44 F80 N16 O16 Pt4 -","4","0.5","","Ke, Xian-Sheng; Zhao, Hongmei; Zou, Xiaoran; Ning, Yingying; Cheng, Xin; Su, Hongmei; Zhang, Jun-Long","Fine-Tuning of β-Substitution to Modulate the Lowest Triplet Excited States: A Bioinspired Approach to Design Phosphorescent Metalloporphyrinoids.","Journal of the American Chemical Society","2015","","","150817162021003","","10.1021/jacs.5b06332","","","0.7107","MoKα","","0.053","0.0358","","","0.0946","0.1064","","","","","","1.054","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124286","22.2705","0.0009","22.2705","0.0009","17.9544","0.0007","90","","90","","120","","7711.9","0.5","100","2","99.99","","","","","","","","","3","R -3","-R 3","148","","","","- C44.67 H37 N6.33 -","- C44.6667 H37.0002 N6.33333 -","- C402 H333.002 N57 -","9","","","Frasconi, Marco; Fernando, Isurika R.; Wu, Yilei; Liu, Zhichang; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Redox Control of the Binding Modes of an Organic Receptor.","Journal of the American Chemical Society","2015","137","34","11057","11068","10.1021/jacs.5b05618","","","1.54178","CuKα","","0.0328","0.0303","","","0.0782","0.0803","","","","","","1.038","","","","has coordinates,has disorder","154652","2020-10-21","18:00:00",""
"4124287","22.3679","0.0012","22.3679","0.0012","17.9046","0.001","90","","90","","120","","7757.9","0.7","100","2","99.99","","","","","","","","","3","R -3","-R 3","148","","","","- C122 H117 N19 -","- C122 H117.001 N19 -","- C366 H351.002 N57 -","3","","","Frasconi, Marco; Fernando, Isurika R.; Wu, Yilei; Liu, Zhichang; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Redox Control of the Binding Modes of an Organic Receptor.","Journal of the American Chemical Society","2015","137","34","11057","11068","10.1021/jacs.5b05618","","","1.54178","CuKα","","0.0374","0.0357","","","0.0929","0.0946","","","","","","1.021","","","","has coordinates,has disorder","154652","2020-10-21","18:00:00",""
"4124288","9.9084","0.0004","26.6982","0.0009","15.8321","0.0006","90","","99.632","0.002","90","","4129.1","0.3","100","2","99.99","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C36 H32 F6 N4 P -","- C36 H32 F6 N4 P -","- C144 H128 F24 N16 P4 -","4","1","","Frasconi, Marco; Fernando, Isurika R.; Wu, Yilei; Liu, Zhichang; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Redox Control of the Binding Modes of an Organic Receptor.","Journal of the American Chemical Society","2015","137","34","11057","11068","10.1021/jacs.5b05618","","","1.54178","CuKα","","0.1168","0.0891","","","0.2626","0.2768","","","","","","1.076","","","","has coordinates,has disorder","154652","2020-10-21","18:00:00",""
"4124289","12.2628","0.0003","18.0788","0.0004","20.8997","0.0005","75.7972","0.0018","81.3662","0.0019","75.8437","0.0019","4335.3","0.18","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C103.24 H114.87 Cr N10.62 O0.05 -","- C103.244 H114.866 Cr N10.622 O0.053 -","- C206.488 H229.732 Cr2 N21.244 O0.106 -","2","1","","Baglia, Regina A.; Prokop-Prigge, Katharine A; Neu, Heather M.; Siegler, Maxime A.; Goldberg, David P.","Mn(V)(O) versus Cr(V)(O) Porphyrinoid Complexes: Structural Characterization and Implications for Basicity Controlling H-Atom Abstraction.","Journal of the American Chemical Society","2015","137","34","10874","10877","10.1021/jacs.5b05142","","","1.54178","CuKα","","0.0717","0.0637","","","0.1812","0.1908","","","","","","1.022","","","","has coordinates,has disorder","154645","2020-10-21","18:00:00",""
"4124290","26.3976","0.0009","11.7278","0.0005","15.5037","0.0006","90","","125.896","0.005","90","","3888.2","0.4","200","2","200","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C41 H54 N3 O2 U -","- C41 H54.586 N3 O2 U -","- C164 H218.344 N12 O8 U4 -","4","0.5","","Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C.","Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals.","Journal of the American Chemical Society","2015","137","34","11115","11125","10.1021/jacs.5b06217","","","1.54178","CuKα","","0.0616","0.0574","","","0.1469","0.1492","","","","","","1.066","","","","has coordinates,has disorder","154653","2020-10-21","18:00:00",""
"4124291","9.6181","0.0002","18.6227","0.0004","22.601","0.0005","90","","90","","90","","4048.18","0.15","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H60 N3 O U -","- C45 H60 N3 O U -","- C180 H240 N12 O4 U4 -","4","0.5","","Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C.","Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals.","Journal of the American Chemical Society","2015","137","34","11115","11125","10.1021/jacs.5b06217","","","0.71073","MoKα","","0.0403","0.0255","","","0.0583","0.0622","","","","","","1.002","","","","has coordinates,has disorder","154653","2020-10-21","18:00:00",""
"4124292","12.1266","0.0008","22.268","0.0015","14.529","0.0008","90","","104.098","0.004","90","","3805.2","0.4","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 N3 O2 U -","- C37 H46 N3 O2 U -","- C148 H184 N12 O8 U4 -","4","1","","Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C.","Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals.","Journal of the American Chemical Society","2015","137","34","11115","11125","10.1021/jacs.5b06217","","","1.54184","CU-Kα","","0.071","0.064","","","0.179","0.186","","","","","","1.101","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4124293","6.5106","0.0009","16.465","0.003","17.701","0.003","90","","90","","90","","1897.5","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N O2 -","- C21 H31 N O2 -","- C84 H124 N4 O8 -","4","1","","Larson, Reed T.; Pemberton, Ryan P.; Franke, Jenna M.; Tantillo, Dean J.; Thomson, Regan J.","Total Synthesis of the Galbulimima Alkaloids Himandravine and GB17 Using Biomimetic Diels-Alder Reactions of Double Diene Precursors.","Journal of the American Chemical Society","2015","137","34","11197","11204","10.1021/jacs.5b07710","","","1.54178","CuKα","","0.04","0.0351","","","0.0825","0.0857","","","","","","1.024","","","","has coordinates","154649","2020-10-21","18:00:00",""
"4124294","19.3133","0.001","8.6913","0.0004","18.1902","0.0013","90","","99.683","0.005","90","","3009.9","0.3","100","2","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28.25 H39 Cl N O3.25 -","- C28.25 H39 Cl N O3.25 -","- C113 H156 Cl4 N4 O13 -","4","1","","Larson, Reed T.; Pemberton, Ryan P.; Franke, Jenna M.; Tantillo, Dean J.; Thomson, Regan J.","Total Synthesis of the Galbulimima Alkaloids Himandravine and GB17 Using Biomimetic Diels-Alder Reactions of Double Diene Precursors.","Journal of the American Chemical Society","2015","137","34","11197","11204","10.1021/jacs.5b07710","","","1.54178","CuKα","","0.1655","0.0996","","","0.2531","0.3085","","","","","","1.006","","","","has coordinates,has disorder","154649","2020-10-21","18:00:00",""
"4124295","22.3539","0.0006","22.3539","0.0006","7.4198","0.0002","90","","90","","120","","3210.92","0.15","100","2","99.98","","","","","","","","","5","P 63","P 6c","173","","","","- C21 H32 Cl N O2 -","- C21 H32 Cl N O2 -","- C126 H192 Cl6 N6 O12 -","6","1","","Larson, Reed T.; Pemberton, Ryan P.; Franke, Jenna M.; Tantillo, Dean J.; Thomson, Regan J.","Total Synthesis of the Galbulimima Alkaloids Himandravine and GB17 Using Biomimetic Diels-Alder Reactions of Double Diene Precursors.","Journal of the American Chemical Society","2015","137","34","11197","11204","10.1021/jacs.5b07710","","","1.54178","CuKα","","0.0229","0.0228","","","0.0615","0.0616","","","","","","1.04","","","","has coordinates","154649","2020-10-21","18:00:00",""
"4124296","10.51406","0.00015","12.032","0.00016","24.8572","0.0003","90","","92.3407","0.0012","90","","3141.94","0.07","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H50 B F4 O4 P Ru -","- C29 H50 B F4 O4 P Ru -","- C116 H200 B4 F16 O16 P4 Ru4 -","4","1","","Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanistic Analysis for Chemoselective Hydrogenolysis of Carbonyl Compounds Catalyzed by a Cationic Ruthenium Hydride Complex with a Tunable Phenol Ligand.","Journal of the American Chemical Society","2015","137","34","11105","11114","10.1021/jacs.5b06097","","","0.71073","MoKα","","0.0359","0.0283","","","0.0606","0.0643","","","","","","1.056","","","","has coordinates","154651","2020-10-21","18:00:00",""
"4124297","10.29093","0.00013","18.577","0.0003","31.942","0.0004","90","","90","","90","","6106.5","0.15","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H48 B F4 O3 P Ru -","- C28 H48 B F4 O3 P Ru -","- C224 H384 B8 F32 O24 P8 Ru8 -","8","1","","Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanistic Analysis for Chemoselective Hydrogenolysis of Carbonyl Compounds Catalyzed by a Cationic Ruthenium Hydride Complex with a Tunable Phenol Ligand.","Journal of the American Chemical Society","2015","137","34","11105","11114","10.1021/jacs.5b06097","","","1.54184","CuKα","","0.0443","0.0404","","","0.0943","0.0966","","","","","","1.093","","","","has coordinates","154651","2020-10-21","18:00:00",""
"4124298","8.675","0.0011","8.9404","0.0012","10.7831","0.0015","90","","90.99","0.002","90","","836.19","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(rac) 3-chloromandelic acid","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","1","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","x-ray","0.71075","MoKα","","0.0366","0.0328","","","0.092","0.0942","","","","","","1.07","","","","has coordinates","154650","2020-10-21","18:00:00",""
"4124299","7.7848","0.0005","13.5323","0.001","16.7476","0.0018","96.955","0.008","99.289","0.008","90.68","0.006","1727.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(rac) 4-chloro2-fluoromandelic acid","","- C8 H6 Cl F O3 -","- C8 H6 Cl F O3 -","- C64 H48 Cl8 F8 O24 -","8","4","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.1567","0.0865","","","0.2187","0.2436","","","","","","0.963","","","","has coordinates","154650","2020-10-21","18:00:00",""
"4124300","7.9508","0.0007","7.0951","0.0009","15.8626","0.0015","90","","95.565","0.009","90","","890.62","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-4-chloro 2-fluoromandelic acid","","- C8 H6 Cl F O3 -","- C8 H6 Cl F O3 -","- C32 H24 Cl4 F4 O12 -","4","2","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.1109","0.0502","","","0.0994","0.1167","","","","","","0.851","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124301","7.8577","0.0008","7.8314","0.0006","14.1039","0.0012","90","","105.477","0.01","90","","836.44","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-2-chloro 4-fluoromandelic acid","","- C8 H6 Cl F O3 -","- C8 H6 Cl F O3 -","- C32 H24 Cl4 F4 O12 -","4","2","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.0667","0.0453","","","0.0923","0.0974","","","","","","0.935","","","","has coordinates","154650","2020-10-21","18:00:00",""
"4124302","10.0845","0.0009","5.3717","0.0005","30.358","0.004","90","","91.802","0.012","90","","1643.7","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S) 3-methylmandelic acid","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","4","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.096","0.0813","","","0.1986","0.2052","","","","","","1.132","","","","has coordinates","154650","2020-10-21","18:00:00",""
"4124303","9.7454","0.0019","5.5417","0.0006","31.396","0.004","90","","95.094","0.015","90","","1688.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S) 3-bromomandelic acid","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C64 H56 Br8 O24 -","8","4","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.0771","0.0572","","","0.1248","0.1296","","","","","","0.972","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124304","8.316","0.0018","11.855","0.003","8.4526","0.0018","90","","93.82","0.007","90","","831.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","2","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","x-ray","0.71073","MoKα","","0.0744","0.056","","","0.1313","0.1416","","","","","","1.057","","","","has coordinates,has disorder","154650","2020-10-21","18:00:00",""
"4124305","9.8701","0.0008","5.4344","0.0006","30.656","0.002","90","","95.26","0.008","90","","1637.4","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S) 3-chloromandelic acid","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C64 H56 Cl8 O24 -","8","4","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.0724","0.0434","","","0.0813","0.0862","","","","","","0.829","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124306","6.4658","0.0003","4.376","0.0002","13.3745","0.0006","90","","90","","90","","378.42","0.03","100","2","99.96","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cu Rb Te -","- Cu Rb Te -","- Cu4 Rb4 Te4 -","4","0.5","","Vermeer, Michael J DeVries; Zhang, Xiuwen; Trimarchi, Giancarlo; Donakowski, Martin D.; Chupas, Peter J.; Poeppelmeier, Kenneth R.; Zunger, Alex","Prediction and Synthesis of Strain Tolerant RbCuTe Crystals Based on Rotation of One-Dimensional Nano Ribbons within a Three-Dimensional Inorganic Network.","Journal of the American Chemical Society","2015","137","35","11383","11390","10.1021/jacs.5b06182","","","0.71073","MoKα","","0.0465","0.0403","","","0.094","0.0966","","","","","","1.134","","","","has coordinates","160534","2020-10-21","18:00:00",""
"4124307","17.0695","0.0003","6.7893","0.00012","10.31637","0.00018","90","","91.8954","0.0017","90","","1194.91","0.04","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Si2 -","- C26 H26 Si2 -","- C52 H52 Si4 -","2","0.5","","Sangtarash, Sara; Huang, Cancan; Sadeghi, Hatef; Sorohhov, Gleb; Hauser, Jürg; Wandlowski, Thomas; Hong, Wenjing; Decurtins, Silvio; Liu, Shi-Xia; Lambert, Colin J.","Searching the Hearts of Graphene-like Molecules for Simplicity, Sensitivity, and Logic.","Journal of the American Chemical Society","2015","137","35","11425","11431","10.1021/jacs.5b06558","","x-ray","0.71073","MoKα","","0.0513","0.043","","","0.112","0.1177","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124308","5.4021","0.0011","8.6247","0.0017","19.004","0.004","77.45","0.03","82.55","0.03","89.45","0.03","856.8","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 Cl2 N2 O4 S4 -","- C34 H36 Cl2 N2 O4 S4 -","- C34 H36 Cl2 N2 O4 S4 -","1","0.5","","Ren, Longbin; Liu, Feng; Shen, Xingxing; Zhang, Cheng; Yi, Yuanping; Zhu, Xiaozhang","Developing Quinoidal Fluorophores with Unusually Strong Red/Near-Infrared Emission.","Journal of the American Chemical Society","2015","137","35","11294","11302","10.1021/jacs.5b03899","","","0.71073","MoKα","","0.1607","0.1201","","","0.2965","0.3247","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124309","21.7101","0.0005","7.1557","0.0001","10.9015","0.0008","90","","116.571","0.008","90","","1514.69","0.16","273","2","273","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H19 Br N -","- C17 H19 Br N -","- C68 H76 Br4 N4 -","4","1","","White, Derick R.; Hutt, Johnathon T.; Wolfe, John P.","Asymmetric Pd-Catalyzed Alkene Carboamination Reactions for the Synthesis of 2-Aminoindane Derivatives.","Journal of the American Chemical Society","2015","137","35","11246","11249","10.1021/jacs.5b07203","","","1.54178","CuKα","","0.0448","0.0418","","","0.1083","0.1112","","","","","","1.043","","","","has coordinates","160533","2020-10-21","18:00:00",""
"4124310","6.8381","0.0003","7.5909","0.0003","8.7535","0.0004","79.408","0.002","78.421","0.002","72.627","0.002","421.07","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C22 H20 O4 -","2","1","","Metternich, Jan B.; Gilmour, Ryan","A Bio-Inspired, Catalytic E →Z Isomerization of Activated Olefins.","Journal of the American Chemical Society","2015","137","35","11254","11257","10.1021/jacs.5b07136","","","1.54178","CuKα","","0.0499","0.0389","","","0.1027","0.1106","","","","","","1.037","","","","has coordinates","160532","2020-10-21","18:00:00",""
"4124311","9.7854","0.0002","15.4462","0.0003","22.2111","0.0004","90","","90","","90","","3357.15","0.11","113","2","113","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","Laine_Dyad_2014","[Py(ph)2-TP+](BF4)","","- C41 H31 B Cl2 F4 N2 -","- C41 H31 B Cl2 F4 N2 -","- C164 H124 B4 Cl8 F16 N8 -","4","1","","Lachmanová, Štěpánka; Dupeyre, Grégory; Tarábek, Ján; Ochsenbein, Philippe; Perruchot, Christian; Ciofini, Ilaria; Hromadová, Magdaléna; Pospíšil, Lubomír; Lainé, Philippe P","Kinetics of Multielectron Transfers and Redox-Induced Structural Changes in N-Aryl-Expanded Pyridiniums: Establishing Their Unusual, Versatile Electrophoric Activity.","Journal of the American Chemical Society","2015","137","35","11349","11364","10.1021/jacs.5b05545","","","1.54178","CuKα","","0.0556","0.0551","","","0.1854","0.1862","","","","","","2.1","","","","has coordinates","160531","2020-10-21","18:00:00",""
"4124312","8.491","","9.24","","14.389","","80.54","","85.94","","68.31","","1034.66","","","","","","","","","","","","","4","P -1","-P 1","2","","Os4 (C O)12 S2","","- C12 O12 Os4 S2 -","- C12 O12 Os4 S2 -","- C24 O24 Os8 S4 -","2","1","","Adams, R.D.; Yang, L.-W.","Weak metal-metal bonds in an ""electron-rich"" cluster. The synthesis and X-ray crystallographic characterization of Os4 (C O)12 (mue 3-S)2 and Os6 (C O)16 (mue 4-S) (mue 3-S)","Journal of the American Chemical Society","1982","104","","4115","4117","","","","","","","","","","","","","","","","","","","","","","has coordinates","153961","2020-10-21","18:00:00",""
"4124313","13.88","","12.061","","18.168","","90","","106.43","","90","","2917.25","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Os3 (C O)8 S2)2","","- C16 O16 Os6 S4 -","- C16 O16 Os6 S4 -","- C64 O64 Os24 S16 -","4","1","","Adams, R.D.; Horvath, I.T.","Unusual metal-metal bonding in transition-metal carbonyl cluster compounds. The synthesis, reactivity, and crystal and molecular structure of ((Os3 (C O)8 (mue3-S)2)2)","Journal of the American Chemical Society","1984","106","","1869","1871","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124314","12.019","","12.323","","11.217","","90","","115.41","","90","","1500.63","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(H2 Os3 (C O)8) S2","","- C8 H2 O8 Os3 S2 -","- C8 H2 O8 Os3 S2 -","- C32 H8 O32 Os12 S8 -","4","0.5","","Adams, R.D.; Horvath, I.T.","Unusual metal-metal bonding in transition-metal carbonyl cluster compounds. The synthesis, reactivity and crystal and molecular structure of ((Os3 (C O)8 (mue3-S)2)2)","Journal of the American Chemical Society","1984","106","","1869","1871","","","","","","","","","","","","","","","","","","","","","","has coordinates","153963","2020-10-21","18:00:00",""
"4124315","23.57","","17.821","","17.593","","112.17","","98.1","","96.84","","6654.5","","","","","","","","","","","","","5","P -1","-P 1","2","","(N H4)14 Na P5 W30 O110 (H2 O)31","","- N9.25 Na O119.25 P5 W30 -","- N9.25 Na O119.25 P5 W30 -","- N18.5 Na2 O238.5 P10 W60 -","2","1","","Alizadeh, M.H.; Harmalker, S.P.; Jeannin, Y.P.; Martin-Frere, J.; Pope, M.T.","A Heteropolyanion with Fivefold Molecular Symmetry that Contains Nonlabile Encapsulated Sodium Ion. The Structure and Chemistry of (Na P5 W30 O110)(14-)","Journal of the American Chemical Society","1985","107","","2662","2669","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124316","8.559","","8.559","","6.017","","90","","90","","90","","440.784","","","","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","Np (B H4)4","","- B4 H16 Np -","- B4 H16 Np -","- B8 H32 Np2 -","2","0.125","","Banks, R.H.; Templeton, D.H.; Edelstein, N.M.; Spencer, B.; Zalkin, A.","Volatility and molecular structure of neptunium(IV) borohydride","Journal of the American Chemical Society","1980","102","","620","623","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124317","9.961","","18.088","","10.036","","90","","118.84","","90","","1583.96","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","K4 (H5 O2) (Nb3 O2 (S O4)6 (H2 O)3) (H2 O)5","","- H21 K4 Nb3 O36 S6 -","- K4 Nb3 O36 S6 -","- K8 Nb6 O72 S12 -","2","1","","Bino, A.","Triangular triniobium cluster in aqueous solution","Journal of the American Chemical Society","1980","102","","7990","7991","","","","","","","","","","","","","","","","","","","","","","has coordinates","154115","2020-10-21","18:00:00",""
"4124318","9.337","","21.44","","9.519","","90","","98.73","","90","","1883.49","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Fe4 (C O)13 C","","- C14 Fe4 O13 -","- C14 Fe4 O13 -","- C56 Fe16 O52 -","4","1","","Bradley, J.S.; Ansell, G.B.; Leonowicz, M.E.; Hill, E.W.","Synthesis and molecular structure of mue 4-carbido-mue 2-carbonyltetrairon, a neutral iron butterfly cluster bearing an exposed carbon atom","Journal of the American Chemical Society","1981","103","","4968","4970","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124319","10.686","","8.686","","11.351","","90","","90","","90","","1053.58","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- B12 H16 -","- B12 H16 -","- B48 H64 -","4","1","","Brewer, C.T.; Grimes, R.N.","Metal-induced oxidative fusion of boranes. Synthesis of B12 H16, the first neutral dodecaborane","Journal of the American Chemical Society","1984","106","","2722","2723","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124320","13.131","","13.131","","8.139","","90","","90","","90","","1403.35","","","","","","","","","","","","","6","P 4/m b m","-P 4 2ab","127","","K4 (Pt2 (P2 O5 H2)4 Br) (H2 O)3","","- Br H14 K4 O23 P8 Pt2 -","- Br K4 O23 P8 Pt2 -","- Br2 K8 O46 P16 Pt4 -","2","0.125","","Butler, L.G.; Zietlow, M.H.; Clark, R.J.H.; Gray, H.B.; Che, C.; Grunthaner, P.J.; Sridhar, S.; Schaefer, W.P.; Swanson, B.I.","Translational Symmetries in the Linear-Chain Semiconductors K4 (Pt2 (P2 O5 H2)4 X) * n(H2 O) (X = Cl, Br, I)","Journal of the American Chemical Society","1988","110","","1155","1162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124321","13.17","","13.17","","8.077","","90","","90","","90","","1400.95","","","","","","","","","","","","","6","P 4/m b m","-P 4 2ab","127","","K4 (Pt2 (P2 O5 H2)4 Cl) (H2 O)3","","- Cl H14 K4 O23 P8 Pt2 -","- Cl K4 O22.95 P8 Pt2 -","- Cl2 K8 O45.9 P16 Pt4 -","2","0.125","","Butler, L.G.; Zietlow, M.H.; Che, C.M.; Clark, R.J.H.; Schaefer, W.P.; Grunthaner, P.J.; Sridhar, S.; Gray, H.B.; Swanson, B.I.","Translational Symmetries in the Chain Semiconductors K4 (Pt2 P2 O5 H2)4 X) * n(H2 O) (X = Cl, Br, I)","Journal of the American Chemical Society","1988","110","","1155","1162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124322","15.7816","0.0008","16.2894","0.0007","11.9362","0.0006","90","","107.029","0.002","90","","2933.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 Cu N2 O5 -","- C31 H40 Cu N2 O5 -","- C124 H160 Cu4 N8 O20 -","4","1","","Ju, Huiyeong; Clegg, Jack K.; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung","Formation of a Dicopper Platform Based Polyrotaxane Whose ""String"" and ""Bead"" Are Constructed from the Same Components.","Journal of the American Chemical Society","2015","137","30","9535","9538","10.1021/jacs.5b05770","","","0.71073","MoKα","","0.0933","0.0522","","","0.1233","0.1439","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124323","20.0941","0.001","22.6578","0.0012","24.6497","0.0014","89.59","0.003","89.825","0.003","88.059","0.003","11215.9","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C176 H208 Cu6 N16 O24 -","- C176 H208 Cu6 N16 O24 -","- C352 H416 Cu12 N32 O48 -","2","1","","Ju, Huiyeong; Clegg, Jack K.; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung","Formation of a Dicopper Platform Based Polyrotaxane Whose ""String"" and ""Bead"" Are Constructed from the Same Components.","Journal of the American Chemical Society","2015","137","30","9535","9538","10.1021/jacs.5b05770","","","0.71073","MoKα","","0.1953","0.1291","","","0.3531","0.3798","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124324","11.0486","0.0003","5.4958","0.0002","14.194","0.0004","90","","96.3784","0.0011","90","","856.54","0.05","120","2","120.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H19 F3 -","- C22 H19 F3 -","- C44 H38 F6 -","2","1","","Liang, Yufan; Fu, Gregory C.","Stereoconvergent Negishi Arylations of Racemic Secondary Alkyl Electrophiles: Differentiating between a CF3 and an Alkyl Group.","Journal of the American Chemical Society","2015","137","30","9523","9526","10.1021/jacs.5b04725","","","1.54178","CuKα","","0.0286","0.0282","","","0.0776","0.078","","","","","","1.033","","","","has coordinates","154226","2020-10-21","18:00:00",""
"4124325","5.66013","0.0001","13.3182","0.0002","23.7538","0.0004","90","","90","","90","","1790.63","0.05","120","2","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 F2 O -","- C23 H20 F2 O -","- C92 H80 F8 O4 -","4","1","","Liang, Yufan; Fu, Gregory C.","Stereoconvergent Negishi Arylations of Racemic Secondary Alkyl Electrophiles: Differentiating between a CF3 and an Alkyl Group.","Journal of the American Chemical Society","2015","137","30","9523","9526","10.1021/jacs.5b04725","","","1.54178","CuKα","","0.029","0.028","","","0.0726","0.0734","","","","","","1.061","","","","has coordinates","154227","2020-10-21","18:00:00",""
"4124326","19.958","0.003","19.786","0.003","16.513","0.002","90","","102.162","0.002","90","","6374.4","1.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H23 B2 F32 N4 O4 -","- C72 H23 B2 F32 N4 O4 -","- C288 H92 B8 F128 N16 O16 -","4","1","","Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio","Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.","Journal of the American Chemical Society","2015","137","30","9519","9522","10.1021/jacs.5b04178","","","0.71073","MoKα","","0.0863","0.0547","","","0.1289","0.146","","","","","","1.052","","","","has coordinates","154228","2020-10-21","18:00:00",""
"4124327","11.374","0.002","20.799","0.004","14.4","0.003","90","","99.032","0.003","90","","3364.3","1.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H32 B2 F30 N4 O4 -","- C76 H32 B2 F30 N4 O4 -","- C152 H64 B4 F60 N8 O8 -","2","0.5","","Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio","Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.","Journal of the American Chemical Society","2015","137","30","9519","9522","10.1021/jacs.5b04178","","","0.71073","MoKα","","0.089","0.0539","","","0.0994","0.1123","","","","","","1.035","","","","has coordinates","154229","2020-10-21","18:00:00",""
"4124328","19.915","0.003","19.847","0.003","16.513","0.003","90","","102.719","0.003","90","","6366.7","1.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H24 B2 F30 N4 O4 -","- C72 H24 B2 F30 N4 O4 -","- C288 H96 B8 F120 N16 O16 -","4","1","","Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio","Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.","Journal of the American Chemical Society","2015","137","30","9519","9522","10.1021/jacs.5b04178","","","0.71073","MoKα","","0.1219","0.0529","","","0.0948","0.1211","","","","","","0.994","","","","has coordinates","154230","2020-10-21","18:00:00",""
"4124329","11.4404","0.0009","20.9135","0.0016","14.3076","0.0011","90","","99.72","0.001","90","","3374.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H32 B2 F30 N4 O6 -","- C76 H32 B2 F30 N4 O6 -","- C152 H64 B4 F60 N8 O12 -","2","0.5","","Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio","Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.","Journal of the American Chemical Society","2015","137","30","9519","9522","10.1021/jacs.5b04178","","","0.71073","","","0.0738","0.0441","","","0.0976","0.114","","","","","","1.003","","","","has coordinates","154231","2020-10-21","18:00:00",""
"4124330","20.0295","0.0019","20.6089","0.0019","16.3863","0.0015","90","","105.092","0.001","90","","6530.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H26 B2 F32 N4 O4 -","- C74 H26 B2 F32 N4 O4 -","- C296 H104 B8 F128 N16 O16 -","4","1","","Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio","Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.","Journal of the American Chemical Society","2015","137","30","9519","9522","10.1021/jacs.5b04178","","","0.71073","MoKα","","0.1538","0.0656","","","0.1322","0.1709","","","","","","0.998","","","","has coordinates","154232","2020-10-21","18:00:00",""
"4124331","20.023","0.0014","20.3398","0.0014","16.3764","0.0011","90","","104.496","0.001","90","","6457.2","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H28 B2 F30 N4 O4 -","- C74 H28 B2 F30 N4 O4 -","- C296 H112 B8 F120 N16 O16 -","4","1","","Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio","Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.","Journal of the American Chemical Society","2015","137","30","9519","9522","10.1021/jacs.5b04178","","","0.71073","MoKα","","0.0914","0.0488","","","0.0968","0.1169","","","","","","0.974","","","","has coordinates","154233","2020-10-21","18:00:00",""
"4124332","11.1604","0.0011","21.035","0.002","14.8978","0.0015","90","","99.764","0.002","90","","3446.7","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H36 B2 F30 N4 O4 -","- C78 H36 B2 F30 N4 O4 -","- C156 H72 B4 F60 N8 O8 -","2","0.5","","Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio","Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.","Journal of the American Chemical Society","2015","137","30","9519","9522","10.1021/jacs.5b04178","","","0.71073","MoKα","","0.0579","0.0398","","","0.0976","0.1075","","","","","","1.024","","","","has coordinates","154234","2020-10-21","18:00:00",""
"4124333","11.564","0.002","11.653","0.002","13.974","0.003","90","","95.201","0.005","90","","1875.3","0.6","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N4 O2 -","- C21 H22 N4 O2 -","- C84 H88 N16 O8 -","4","2","","Arichi, Norihito; Yamada, Ken-Ichi; Yamaoka, Yousuke; Takasu, Kiyosei","An Arylative Ring Expansion Cascade of Fused Cyclobutenes via Short-Lived Intermediates with Planar Chirality.","Journal of the American Chemical Society","2015","137","30","9579","9582","10.1021/jacs.5b06576","","","1.54187","CuKα","","0.0404","0.0356","","","0.0945","0.1201","","","","","","1.131","","","","has coordinates","154235","2020-10-21","18:00:00",""
"4124334","13.3551","0.0011","13.3626","0.0009","18.1872","0.0012","106.141","0.008","106.275","0.008","93.457","0.007","2959","0.4","93","","93","","","","","","","","","6","P 1","P 1","1","","","","- C30 H41 N O5 S Si -","- C30 H41 N O5 S Si -","- C120 H164 N4 O20 S4 Si4 -","4","4","","Arichi, Norihito; Yamada, Ken-Ichi; Yamaoka, Yousuke; Takasu, Kiyosei","An Arylative Ring Expansion Cascade of Fused Cyclobutenes via Short-Lived Intermediates with Planar Chirality.","Journal of the American Chemical Society","2015","137","30","9579","9582","10.1021/jacs.5b06576","","","0.71075","MoKα","","0.0762","0.0678","","","0.1705","0.1794","","","","","","1.034","","","","has coordinates","154236","2020-10-21","18:00:00",""
"4124335","14.5626","0.0006","11.2082","0.0004","22.4363","0.0007","90","","104.211","0.0012","90","","3550","0.2","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H47 N O4 Si -","- C41 H47 N O4 Si -","- C164 H188 N4 O16 Si4 -","4","1","","Arichi, Norihito; Yamada, Ken-Ichi; Yamaoka, Yousuke; Takasu, Kiyosei","An Arylative Ring Expansion Cascade of Fused Cyclobutenes via Short-Lived Intermediates with Planar Chirality.","Journal of the American Chemical Society","2015","137","30","9579","9582","10.1021/jacs.5b06576","","","0.71075","MoKα","","","0.0369","","","","0.0937","","","","","","1.043","","","","has coordinates","154237","2020-10-21","18:00:00",""
"4124336","10.0449","0.0007","14.7417","0.001","22.01","0.0015","90","","90","","90","","3259.2","0.4","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H43 N O5 S Si -","- C35 H43 N O5 S Si -","- C140 H172 N4 O20 S4 Si4 -","4","1","","Arichi, Norihito; Yamada, Ken-Ichi; Yamaoka, Yousuke; Takasu, Kiyosei","An Arylative Ring Expansion Cascade of Fused Cyclobutenes via Short-Lived Intermediates with Planar Chirality.","Journal of the American Chemical Society","2015","137","30","9579","9582","10.1021/jacs.5b06576","","","1.54187","CuKα","","0.0307","0.0285","","","0.0706","0.0712","","","","","","1.054","","","","has coordinates","154238","2020-10-21","18:00:00",""
"4124337","10.6389","0.0003","19.6269","0.0005","18.0403","0.0005","90","","94.072","0.001","90","","3757.46","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","ATB_04_088","hartwig74","","- C44 H44 F N4 O P Pd -","- C44 H44 F N4 O P Pd -","- C176 H176 F4 N16 O4 P4 Pd4 -","4","1","","Brusoe, Andrew T.; Hartwig, John F.","Palladium-Catalyzed Arylation of Fluoroalkylamines.","Journal of the American Chemical Society","2015","137","26","8460","8468","10.1021/jacs.5b02512","","","0.71073","MoKα","","0.0351","0.0264","","","0.0538","0.0573","","","","","","1.044","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4124338","7.9136","0.0003","12.6651","0.0005","16.0864","0.0006","97.994","0.002","103.127","0.002","94.286","0.002","1545.42","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H51 B O5 Si -","- C30 H51 B O5 Si -","- C60 H102 B2 O10 Si2 -","2","1","","Blaisdell, Thomas P.; Morken, James P.","Hydroxyl-Directed Cross-Coupling: A Scalable Synthesis of Debromohamigeran E and Other Targets of Interest.","Journal of the American Chemical Society","2015","137","27","8712","8715","10.1021/jacs.5b05477","","","1.54178","CuKα","","0.0414","0.0379","","","0.1021","0.1051","","","","","","1.049","","","","has coordinates","154240","2020-10-21","18:00:00",""
"4124339","10.8734","0.0006","12.5634","0.0007","21.8982","0.0012","90","","96.059","0.004","90","","2974.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H52 B2 O7 -","- C26 H52 B2 O7 -","- C104 H208 B8 O28 -","4","1","","Blaisdell, Thomas P.; Morken, James P.","Hydroxyl-Directed Cross-Coupling: A Scalable Synthesis of Debromohamigeran E and Other Targets of Interest.","Journal of the American Chemical Society","2015","137","27","8712","8715","10.1021/jacs.5b05477","","","0.71073","MoKα","","0.0999","0.0524","","","0.11","0.1283","","","","","","1.009","","","","has coordinates","154241","2020-10-21","18:00:00",""
"4124340","7.4835","0.0003","23.7498","0.0011","11.2814","0.0005","90","","103.425","0.001","90","","1950.27","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 B0.72 Be0.28 O4 -","- C28 H18 B0.721 Be0.279 O4 -","- C112 H72 B2.884 Be1.116 O16 -","4","1","","Bag, Pradip; Itkis, Mikhail E.; Stekovic, Dejan; Pal, Sushanta K.; Tham, Fook S.; Haddon, Robert C.","Band Structure Engineering by Substitutional Doping in Solid-State Solutions of [5-Me-PLY(O,O)]2B(1-x)Bex Radical Crystals.","Journal of the American Chemical Society","2015","137","31","10000","10008","10.1021/jacs.5b06145","","","0.71073","MoKα","","0.0729","0.0393","","","0.0772","0.0882","","","","","","1.077","","","","has coordinates,has disorder","154242","2020-10-21","18:00:00",""
"4124341","7.5678","0.0003","23.4442","0.0009","11.6354","0.0004","90","","106.103","0.0006","90","","1983.37","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 B0.35 Be0.65 O4 -","- C28 H18 B0.35 Be0.65 O4 -","- C112 H72 B1.4 Be2.6 O16 -","4","1","","Bag, Pradip; Itkis, Mikhail E.; Stekovic, Dejan; Pal, Sushanta K.; Tham, Fook S.; Haddon, Robert C.","Band Structure Engineering by Substitutional Doping in Solid-State Solutions of [5-Me-PLY(O,O)]2B(1-x)Bex Radical Crystals.","Journal of the American Chemical Society","2015","137","31","10000","10008","10.1021/jacs.5b06145","","","0.71073","MoKα","","0.0513","0.0419","","","0.1101","0.1171","","","","","","1.07","","","","has coordinates,has disorder","154243","2020-10-21","18:00:00",""
"4124342","7.4193","0.0005","10.7808","0.0008","12.6115","0.0009","95.9478","0.0011","99.2334","0.0011","99.8081","0.0011","972.19","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 B O4 -","- C28 H18 B O4 -","- C56 H36 B2 O8 -","2","1","","Bag, Pradip; Itkis, Mikhail E.; Stekovic, Dejan; Pal, Sushanta K.; Tham, Fook S.; Haddon, Robert C.","Band Structure Engineering by Substitutional Doping in Solid-State Solutions of [5-Me-PLY(O,O)]2B(1-x)Bex Radical Crystals.","Journal of the American Chemical Society","2015","137","31","10000","10008","10.1021/jacs.5b06145","","","0.71073","MoKα","","0.0804","0.0539","","","0.1372","0.1515","","","","","","1.026","","","","has coordinates","154244","2020-10-21","18:00:00",""
"4124343","21.647","0.0005","22.0832","0.0005","14.1759","0.0003","90","","92.692","0.002","90","","6769.1","0.3","100","0.16","100","0.16","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 N20 -","- C38 H32 N20 -","- C152 H128 N80 -","4","0.5","","Wang, Hailong; Li, Bin; Wu, Hui; Hu, Tong-Liang; Yao, Zizhu; Zhou, Wei; Xiang, Shengchang; Chen, Banglin","A Flexible Microporous Hydrogen-Bonded Organic Framework for Gas Sorption and Separation.","Journal of the American Chemical Society","2015","137","31","9963","9970","10.1021/jacs.5b05644","","","1.54178","CuKα","","0.0661","0.0585","","","0.1718","0.1769","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124344","7.4814","0.0005","6.0033","0.0004","27.9363","0.0018","90","","97.0064","0.0008","90","","1245.34","0.14","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H21 Br F6 O2 -","- C29 H21 Br F6 O2 -","- C58 H42 Br2 F12 O4 -","2","1","","Tollefson, Emily J.; Erickson, Lucas W.; Jarvo, Elizabeth R.","Stereospecific Intramolecular Reductive Cross-Electrophile Coupling Reactions for Cyclopropane Synthesis.","Journal of the American Chemical Society","2015","137","31","9760","9763","10.1021/jacs.5b03870","","","0.71073","MoKα","","0.0434","0.0373","","","0.0888","0.0918","","","","","","1.041","","","","has coordinates","154246","2020-10-21","18:00:00",""
"4124345","14.6894","0.0008","5.9472","0.0003","20.3256","0.0011","90","","98.8906","0.0007","90","","1754.33","0.16","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 Br O2 -","- C22 H19 Br O2 -","- C88 H76 Br4 O8 -","4","2","","Tollefson, Emily J.; Erickson, Lucas W.; Jarvo, Elizabeth R.","Stereospecific Intramolecular Reductive Cross-Electrophile Coupling Reactions for Cyclopropane Synthesis.","Journal of the American Chemical Society","2015","137","31","9760","9763","10.1021/jacs.5b03870","","","0.71073","MoKα","","0.025","0.023","","","0.0507","0.0514","","","","","","1.051","","","","has coordinates","154247","2020-10-21","18:00:00",""
"4124346","15.9063","0.0004","17.9071","0.0005","17.7071","0.0005","90","","91.981","0.001","90","","5040.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H68 N4 P2 -","- C58 H68 N4 P2 -","- C232 H272 N16 P8 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls.","Journal of the American Chemical Society","2015","137","31","9953","9962","10.1021/jacs.5b05596","","","0.71073","MoKα","","0.0977","0.0516","","","0.1074","0.1274","","","","","","1.038","","","","has coordinates,has disorder","154248","2020-10-21","18:00:00",""
"4124347","12.2499","0.0003","12.3493","0.0003","28.5036","0.0008","90","","91.237","0.002","90","","4310.95","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H52 Cl2 N2 P2 -","- C48.9998 H51.9996 Cl1.9996 N1.9996 P1.9996 -","- C195.999 H207.998 Cl7.9984 N7.9984 P7.9984 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls.","Journal of the American Chemical Society","2015","137","31","9953","9962","10.1021/jacs.5b05596","","","0.71073","MoKα","","0.0975","0.0518","","","0.1169","0.1364","","","","","","1.035","","","","has coordinates,has disorder","154248","2020-10-21","18:00:00",""
"4124348","12.1978","0.0007","12.2551","0.0007","17.9779","0.0011","79.452","0.004","79.089","0.004","78.93","0.003","2559.6","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H68 N3 P3 -","- C58 H68 N3 P3 -","- C116 H136 N6 P6 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls.","Journal of the American Chemical Society","2015","137","31","9953","9962","10.1021/jacs.5b05596","","","0.71073","MoKα","","0.1176","0.0599","","","0.132","0.1579","","","","","","1.015","","","","has coordinates,has disorder","154248","2020-10-21","18:00:00",""
"4124349","12.3616","0.0003","15.5017","0.0004","15.7423","0.0004","115.357","0.001","103.209","0.001","98.064","0.001","2554.8","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H64 N3 P2 -","- C62 H64 N3 P2 -","- C124 H128 N6 P4 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls.","Journal of the American Chemical Society","2015","137","31","9953","9962","10.1021/jacs.5b05596","","","0.71073","MoKα","","0.0797","0.0474","","","0.1122","0.1309","","","","","","1.017","","","","has coordinates,has disorder","154248","2020-10-21","18:00:00",""
"4124350","24.095","0.007","12.365","0.003","39.032","0.01","90","","106.711","0.011","90","","11138","5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65.43 H71.43 N3 P3 -","- C65.4335 H71.4335 N3 P3 -","- C523.468 H571.468 N24 P24 -","8","2","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls.","Journal of the American Chemical Society","2015","137","31","9953","9962","10.1021/jacs.5b05596","","","0.71073","MoKα","","0.1106","0.0535","","","0.1118","0.134","","","","","","1.024","","","","has coordinates,has disorder","154248","2020-10-21","18:00:00",""
"4124351","13.3318","0.0007","13.3318","0.0007","4.3442","0.0003","90","","90","","90","","772.12","0.08","173","2","173","2","","","","","","","","3","P -4 21 m","P -4 2ab","113","","","","- C19 H18 N2 -","- C19 H18 N2 -","- C38 H36 N4 -","2","0.25","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls.","Journal of the American Chemical Society","2015","137","31","9953","9962","10.1021/jacs.5b05596","","","0.71073","MoKα","","0.0568","0.0385","","","0.0847","0.0956","","","","","","1.048","","","","has coordinates","154248","2020-10-21","18:00:00",""
"4124352","10.002","0.002","10.071","0.002","25.105","0.005","90","","97.61","0.03","90","","2506.6","0.9","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 N O2 -","- C33 H27 N O2 -","- C132 H108 N4 O8 -","4","1","","Wang, Xuedong; Liao, Qing; Li, Hui; Bai, Shuming; Wu, Yishi; Lu, Xiaomei; Hu, Huaiyuan; Shi, Qiang; Fu, Hongbing","Near-Infrared Lasing from Small-Molecule Organic Hemispheres.","Journal of the American Chemical Society","2015","137","29","9289","9295","10.1021/jacs.5b03051","","","0.71073","MoKα","","0.1462","0.1135","","","0.1978","0.2113","","","","","","1.329","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124353","7.9119","0.0007","10.6627","0.0009","12.1631","0.001","84.422","0.002","85.326","0.002","88.627","0.002","1017.72","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N10 O6 Pd -","- C16 H16 N10 O6 Pd -","- C32 H32 N20 O12 Pd2 -","2","1","","Bhat, Imtiyaz Ahmad; Samanta, Dipak; Mukherjee, Partha Sarathi","A Pd24 Pregnant Molecular Nanoball: Self-Templated Stellation by Precise Mapping of Coordination Sites.","Journal of the American Chemical Society","2015","137","29","9497","9502","10.1021/jacs.5b06628","","","0.71073","MoKα","","0.0483","0.0384","","","0.109","0.1136","","","","","","0.892","","","","has coordinates","154250","2020-10-21","18:00:00",""
"4124354","36.935","0.005","36.935","0.005","53.156","0.011","90","","90","","90","","72515","2","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C720 H1306 N216 O577 Pd24 -","- C720 H440 N216 O144 Pd24 -","- C1440 H880 N432 O288 Pd48 -","2","0.125","","Bhat, Imtiyaz Ahmad; Samanta, Dipak; Mukherjee, Partha Sarathi","A Pd24 Pregnant Molecular Nanoball: Self-Templated Stellation by Precise Mapping of Coordination Sites.","Journal of the American Chemical Society","2015","137","29","9497","9502","10.1021/jacs.5b06628","","","0.71073","MoKα","","0.1285","0.0869","","","0.2436","0.2698","","","","","","0.875","","","","has coordinates","154250","2020-10-21","18:00:00",""
"4124355","13.2521","0.0004","16.7844","0.0005","22.512","0.0008","75.947","0.003","75.899","0.003","78.856","0.003","4663","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C99.88 H109.82 Cr N8.94 O -","- C99.88 H109.82 Cr N8.94 O -","- C199.76 H219.64 Cr2 N17.88 O2 -","2","1","","Baglia, Regina A.; Prokop-Prigge, Katharine A; Neu, Heather M.; Siegler, Maxime A.; Goldberg, David P.","Mn(V)(O) versus Cr(V)(O) Porphyrinoid Complexes: Structural Characterization and Implications for Basicity Controlling H-Atom Abstraction.","Journal of the American Chemical Society","2015","137","34","10874","10877","10.1021/jacs.5b05142","","","1.54178","CuKα","","0.086","0.0491","","","0.1091","0.1174","","","","","","0.787","","","","has coordinates,has disorder","154251","2020-10-21","18:00:00",""
"4124356","13.2613","0.0004","16.7068","0.0005","22.478","0.0008","75.669","0.003","75.927","0.003","78.815","0.003","4632.6","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C99.88 H109.81 Mn N8.94 O -","- C99.876 H109.814 Mn N8.938 O -","- C199.752 H219.628 Mn2 N17.876 O2 -","2","1","","Baglia, Regina A.; Prokop-Prigge, Katharine A; Neu, Heather M.; Siegler, Maxime A.; Goldberg, David P.","Mn(V)(O) versus Cr(V)(O) Porphyrinoid Complexes: Structural Characterization and Implications for Basicity Controlling H-Atom Abstraction.","Journal of the American Chemical Society","2015","137","34","10874","10877","10.1021/jacs.5b05142","","","1.54178","CuKα","","0.0878","0.058","","","0.1339","0.149","","","","","","1.009","","","","has coordinates,has disorder","154252","2020-10-21","18:00:00",""
"4124357","22.587","0.005","10.845","0.002","10.947","0.002","90","","90","","90","","2681.5","0.9","93","","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H35 N3 O Pd -","- C31 H35 N3 O Pd -","- C124 H140 N12 O4 Pd4 -","4","1","","Nakano, Ryo; Nozaki, Kyoko","Copolymerization of Propylene and Polar Monomers Using Pd/IzQO Catalysts.","Journal of the American Chemical Society","2015","137","34","10934","10937","10.1021/jacs.5b06948","","","0.71075","MoKα","","0.0473","0.041","","","0.0858","0.0901","","","","","","1.045","","","","has coordinates","154253","2020-10-21","18:00:00",""
"4124358","27.9607","0.001","27.9607","0.001","12.0343","0.0005","90","","90","","90","","9408.4","0.6","93","","93","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C28 H29 N3 O Pd -","- C28 H29 N3 O Pd -","- C448 H464 N48 O16 Pd16 -","16","","","Nakano, Ryo; Nozaki, Kyoko","Copolymerization of Propylene and Polar Monomers Using Pd/IzQO Catalysts.","Journal of the American Chemical Society","2015","137","34","10934","10937","10.1021/jacs.5b06948","","","0.71075","MoKα","","0.0494","0.0456","","","0.0779","0.0794","","","","","","1.175","","","","has coordinates","154254","2020-10-21","18:00:00",""
"4124359","9.4814","0.0011","6.1821","0.0006","18.619","0.002","90","","98.373","0.007","90","","1079.7","0.2","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Cheng, Guolin; Li, Tuan-Jie; Yu, Jin-Quan","Practical Pd(II)-Catalyzed C-H Alkylation with Epoxides: One-Step Syntheses of 3,4-Dihydroisocoumarins.","Journal of the American Chemical Society","2015","137","34","10950","10953","10.1021/jacs.5b07507","","x-ray","0.71073","MoKα","","0.0715","0.0432","","","0.0914","0.1025","","","","","","1.023","","","","has coordinates","154255","2020-10-21","18:00:00",""
"4124360","5.29851","0.0001","10.6425","0.0002","22.9174","0.0005","97.3625","0.0011","96.2287","0.0011","90.2865","0.001","1273.84","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H38 Cl N O3 -","- C28 H38 Cl N O3 -","- C56 H76 Cl2 N2 O6 -","2","2","","Larson, Reed T.; Pemberton, Ryan P.; Franke, Jenna M.; Tantillo, Dean J.; Thomson, Regan J.","Total Synthesis of the Galbulimima Alkaloids Himandravine and GB17 Using Biomimetic Diels-Alder Reactions of Double Diene Precursors.","Journal of the American Chemical Society","2015","137","34","11197","11204","10.1021/jacs.5b07710","","","1.54178","CuKα","","0.0281","0.0262","","","0.0624","0.0633","","","","","","1.029","","","","has coordinates","154256","2020-10-21","18:00:00",""
"4124361","19.85","0.0004","17.9759","0.0003","16.6953","0.0003","90","","107.113","0.0019","90","","5693.49","0.19","100","0.1","100","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C54.78 H82.57 B Cl1.57 F4 O6 P2 Ru2 -","- C54.784 H82.568 B Cl1.568 F4 O6 P2 Ru2 -","- C219.136 H330.272 B4 Cl6.272 F16 O24 P8 Ru8 -","4","0.5","","Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanistic Analysis for Chemoselective Hydrogenolysis of Carbonyl Compounds Catalyzed by a Cationic Ruthenium Hydride Complex with a Tunable Phenol Ligand.","Journal of the American Chemical Society","2015","137","34","11105","11114","10.1021/jacs.5b06097","","","0.71073","MoKα","","0.0401","0.0324","","","0.073","0.0766","","","","","","1.09","","","","has coordinates,has disorder","154257","2020-10-21","18:00:00",""
"4124362","11.44999","0.00018","11.75213","0.00019","23.6747","0.0002","96.5819","0.001","100.933","0.001","111.462","0.0015","2851.36","0.08","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C58 H88 B F4 O9 P2 Ru2 -","- C58 H88 B F4 O9 P2 Ru2 -","- C116 H176 B2 F8 O18 P4 Ru4 -","2","1","","Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanistic Analysis for Chemoselective Hydrogenolysis of Carbonyl Compounds Catalyzed by a Cationic Ruthenium Hydride Complex with a Tunable Phenol Ligand.","Journal of the American Chemical Society","2015","137","34","11105","11114","10.1021/jacs.5b06097","","","1.54184","CuKα","","0.047","0.0433","","","0.1299","0.1342","","","","","","1.08","","","","has coordinates","154258","2020-10-21","18:00:00",""
"4124363","5.7756","0.0003","23.3531","0.0017","14.5753","0.0012","90","","95.626","0.006","90","","1956.4","0.2","100","2","100.01","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 N4 -","- C48 H40 N4 -","- C96 H80 N8 -","2","0.5","","Frasconi, Marco; Fernando, Isurika R.; Wu, Yilei; Liu, Zhichang; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Redox Control of the Binding Modes of an Organic Receptor.","Journal of the American Chemical Society","2015","137","34","11057","11068","10.1021/jacs.5b05618","","","1.54178","CuKα","","0.109","0.072","","","0.1939","0.2101","","","","","","1.075","","","","has coordinates","154259","2020-10-21","18:00:00",""
"4124364","11.3098","0.0005","18.6329","0.0007","19.8541","0.001","90","","90","","90","","4183.9","0.3","150","0.02","150","0.02","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H62 N3 O4 U -","- C45 H62 N3 O4 U -","- C180 H248 N12 O16 U4 -","4","1","","Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C.","Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals.","Journal of the American Chemical Society","2015","137","34","11115","11125","10.1021/jacs.5b06217","","","0.71073","MO-Kα","","0.097","0.062","","","0.108","0.125","","","","","","1.096","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4124365","39.196","0.0005","21.6988","0.0003","11.8286","0.0002","90","","90","","90","","10060.3","0.3","150","0.02","150","0.02","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C45 H59 I2 N3 O2 Si2 U -","- C45 H59 I2 N3 O2 Si2 U -","- C360 H472 I16 N24 O16 Si16 U8 -","8","1","","Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C.","Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals.","Journal of the American Chemical Society","2015","137","34","11115","11125","10.1021/jacs.5b06217","","","0.71073","MO-Kα","","0.079","0.065","","","0.165","0.175","","","","","","1.128","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4124366","21.4076","0.0011","20.0894","0.001","21.4319","0.001","90","","93.2875","0.0016","90","","9202","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H72 N6 O2 P U -","- C47 H72 N6 O2 P U -","- C376 H576 N48 O16 P8 U8 -","8","2","","Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C.","Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals.","Journal of the American Chemical Society","2015","137","34","11115","11125","10.1021/jacs.5b06217","","","0.71073","MoKα","","0.0446","0.0355","","","0.0703","0.0742","","","","","","1.062","","","","has coordinates","154262","2020-10-21","18:00:00",""
"4124367","12.48","0.0006","18.0646","0.0009","22.6985","0.0011","75.948","0.001","88.467","0.001","71.446","0.001","4699","0.4","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C146 H230 Au6 K6 N14 O36 P Sb12 -","- C146 H230 Au6 K6 N14 O36 P0.984 Sb12 -","- C146 H230 Au6 K6 N14 O36 P0.984 Sb12 -","1","0.5","","Pan, Fu-Xing; Li, Lei-Jiao; Wang, Ying-Jin; Guo, Jin-Chang; Zhai, Hua-Jin; Xu, Li; Sun, Zhong-Ming","An All-Metal Aromatic Sandwich Complex [Sb3Au3Sb3](3.).","Journal of the American Chemical Society","2015","137","34","10954","10957","10.1021/jacs.5b07730","","","0.71073","MoKα","","0.0955","0.0565","","","0.1601","0.1921","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124368","14.5244","0.0011","23.5153","0.0017","27.189","0.002","90","","91.34","0.002","90","","9283.7","1.2","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H105 Au3 D15 K3 N9 O18 Sb6 -","- C69 H105 Au3 D15 K3 N9 O18 Sb6 -","- C276 H420 Au12 D60 K12 N36 O72 Sb24 -","4","1","","Pan, Fu-Xing; Li, Lei-Jiao; Wang, Ying-Jin; Guo, Jin-Chang; Zhai, Hua-Jin; Xu, Li; Sun, Zhong-Ming","An All-Metal Aromatic Sandwich Complex [Sb3Au3Sb3](3.).","Journal of the American Chemical Society","2015","137","34","10954","10957","10.1021/jacs.5b07730","","","0.71073","MoKα","","0.1583","0.0607","","","0.1293","0.1666","","","","","","1.009","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124369","13.01","0.03","14.11","0.03","15.26","0.03","90","","103.81","0.03","90","","2720","10","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 N4 O2 Si W -","- C27 H42 N4 O2 Si W -","- C108 H168 N16 O8 Si4 W4 -","4","1","","Fukuda, Tetsuya; Hashimoto, Hisako; Tobita, Hiromi","Unexpected Formation of NHC-Stabilized Hydrosilylyne Complexes via Alkane Elimination from NHC-Stabilized Hydrido(alkylsilylene) Complexes.","Journal of the American Chemical Society","2015","137","34","10906","10909","10.1021/jacs.5b06366","","","0.71075","MoKα","","0.0484","0.0343","","","0.0612","0.065","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124370","9.407","0.001","11.2192","0.0012","17.9488","0.0019","103.741","0.007","94.638","0.007","104.367","0.007","1762.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H56 N2 O2 Si4 W -","- C29 H56 N2 O2 Si4 W -","- C58 H112 N4 O4 Si8 W2 -","2","1","","Fukuda, Tetsuya; Hashimoto, Hisako; Tobita, Hiromi","Unexpected Formation of NHC-Stabilized Hydrosilylyne Complexes via Alkane Elimination from NHC-Stabilized Hydrido(alkylsilylene) Complexes.","Journal of the American Chemical Society","2015","137","34","10906","10909","10.1021/jacs.5b06366","","","0.71075","MoKα","","0.0356","0.0295","","","0.0524","0.054","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124371","9.2153","0.0009","22.349","0.002","16.4645","0.0016","90","","100.491","0.007","90","","3334.2","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H49 N O2 Si4 W -","- C27 H49 N O2 Si4 W -","- C108 H196 N4 O8 Si16 W4 -","4","1","","Fukuda, Tetsuya; Hashimoto, Hisako; Tobita, Hiromi","Unexpected Formation of NHC-Stabilized Hydrosilylyne Complexes via Alkane Elimination from NHC-Stabilized Hydrido(alkylsilylene) Complexes.","Journal of the American Chemical Society","2015","137","34","10906","10909","10.1021/jacs.5b06366","","","0.71075","MoKα","","0.0313","0.025","","","0.0468","0.0484","","","","","","1.122","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124372","6.0443","0.0003","30.6647","0.0015","7.1534","0.0003","90","","112.442","0.0013","90","","1225.45","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Robb, Maxwell J.; Moore, Jeffrey S.","A Retro-Staudinger Cycloaddition: Mechanochemical Cycloelimination of a β-Lactam Mechanophore.","Journal of the American Chemical Society","2015","137","34","10946","10949","10.1021/jacs.5b07345","","","1.54178","CuKα","","0.0532","0.046","","","0.1217","0.1279","","","","","","1.055","","","","has coordinates","154267","2020-10-21","18:00:00",""
"4124373","10.1978","0.0009","14.1321","0.0013","25.82","0.002","90","","95.3841","0.0016","90","","3704.7","0.6","100","1","100","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C64 H92 F12 Fe6 N18 O7 P2 -","- C64 H92 F12 Fe6 N18 O7 P2 -","- C128 H184 F24 Fe12 N36 O14 P4 -","2","1","","Hernández Sánchez, Raúl; Zheng, Shao-Liang; Betley, Theodore A.","Ligand Field Strength Mediates Electron Delocalization in Octahedral [((H)L)2Fe6(L')m](n+) Clusters.","Journal of the American Chemical Society","2015","137","34","11126","11143","10.1021/jacs.5b06453","","","0.71073","MoKα","","0.0667","0.0503","","","0.1157","0.124","","","","","","1.04","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124374","13.4702","0.0013","13.7249","0.0013","14.289","0.002","102.518","0.002","111.315","0.002","110.937","0.001","2108.2","0.4","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C70 H104 F18 Fe6 N20 O8 P3 -","- C70 H104 F18 Fe6 N20 O8 P2.998 -","- C70 H104 F18 Fe6 N20 O8 P2.998 -","1","0.5","","Hernández Sánchez, Raúl; Zheng, Shao-Liang; Betley, Theodore A.","Ligand Field Strength Mediates Electron Delocalization in Octahedral [((H)L)2Fe6(L')m](n+) Clusters.","Journal of the American Chemical Society","2015","137","34","11126","11143","10.1021/jacs.5b06453","","","0.71073","MoKα","","0.058","0.0399","","","0.0935","0.0996","","","","","","0.99","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124375","17.812","0.002","12.6705","0.0015","20.346","0.002","90","","95.7441","0.0019","90","","4568.8","0.9","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H118 B4 F16 Fe6 N22 O10 -","- C76 H118 B4 F16 Fe6 N22 O10 -","- C152 H236 B8 F32 Fe12 N44 O20 -","2","0.5","","Hernández Sánchez, Raúl; Zheng, Shao-Liang; Betley, Theodore A.","Ligand Field Strength Mediates Electron Delocalization in Octahedral [((H)L)2Fe6(L')m](n+) Clusters.","Journal of the American Chemical Society","2015","137","34","11126","11143","10.1021/jacs.5b06453","","","0.71073","MoKα","","0.0907","0.0852","","","0.1966","0.1988","","","","","","1.333","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124376","15.345","0.003","20.716","0.005","29.732","0.007","90","","103.496","0.004","90","","9190","4","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C88 H125 Fe6 N27 -","- C88 H125 Fe6 N27 -","- C352 H500 Fe24 N108 -","4","0.5","","Hernández Sánchez, Raúl; Zheng, Shao-Liang; Betley, Theodore A.","Ligand Field Strength Mediates Electron Delocalization in Octahedral [((H)L)2Fe6(L')m](n+) Clusters.","Journal of the American Chemical Society","2015","137","34","11126","11143","10.1021/jacs.5b06453","","","0.71073","MoKα","","0.084","0.074","","","0.1785","0.1822","","","","","","1.179","","","","has coordinates,has disorder","154268","2020-10-21","18:00:00",""
"4124377","12.459","0.004","17.98","0.005","22.485","0.005","90","","113.923","0.013","90","","4604","2","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C92 H132 Fe6 N24 -","- C92 H132 Fe6 N24 -","- C184 H264 Fe12 N48 -","2","0.5","","Hernández Sánchez, Raúl; Zheng, Shao-Liang; Betley, Theodore A.","Ligand Field Strength Mediates Electron Delocalization in Octahedral [((H)L)2Fe6(L')m](n+) Clusters.","Journal of the American Chemical Society","2015","137","34","11126","11143","10.1021/jacs.5b06453","","","0.71073","MoKα","","0.1509","0.0609","","","0.113","0.1435","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124378","11.3522","0.0009","11.933","0.0009","12.6036","0.001","81.788","0.001","84.609","0.001","64.472","0.001","1523.9","0.2","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C56 H70 Fe6 N20 Na O8 -","- C56 H70 Fe6 N20 Na O8 -","- C56 H70 Fe6 N20 Na O8 -","1","0.5","","Hernández Sánchez, Raúl; Zheng, Shao-Liang; Betley, Theodore A.","Ligand Field Strength Mediates Electron Delocalization in Octahedral [((H)L)2Fe6(L')m](n+) Clusters.","Journal of the American Chemical Society","2015","137","34","11126","11143","10.1021/jacs.5b06453","","","0.71073","MoKα","","0.0576","0.0513","","","0.1363","0.142","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124379","19.209","0.0007","11.043","0.0004","22.7466","0.001","90","","96.8727","0.0015","90","","4790.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H67 N2 O2 P Zr -","- C52 H67 N2 O2 P Zr -","- C208 H268 N8 O8 P4 Zr4 -","4","1","","Despagnet-Ayoub, Emmanuelle; Takase, Michael K.; Labinger, Jay A.; Bercaw, John E.","Reversible 1,2-Alkyl Migration to Carbene and Ammonia Activation in an N-Heterocyclic Carbene-Zirconium Complex.","Journal of the American Chemical Society","2015","","","150817104804004","","10.1021/jacs.5b06695","","","0.71073","MoKα","","0.1163","0.0546","","","0.0931","0.1085","","","","","","1.016","","","","has coordinates","154269","2020-10-21","18:00:00",""
"4124380","12.0453","0.0006","9.6343","0.0004","19.4726","0.0008","90","","97.43","0.004","90","","2240.78","0.17","180.01","0.1","180.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H3 Cl3 F10 N2 O2 Pt0.5 -","- C22 H3 Cl3 F10 N2 O2 Pt0.5 -","- C88 H12 Cl12 F40 N8 O8 Pt2 -","4","1","","Ke, Xian-Sheng; Zhao, Hongmei; Zou, Xiaoran; Ning, Yingying; Cheng, Xin; Su, Hongmei; Zhang, Jun-Long","Fine-Tuning of β-Substitution to Modulate the Lowest Triplet Excited States: A Bioinspired Approach to Design Phosphorescent Metalloporphyrinoids.","Journal of the American Chemical Society","2015","","","150817162021003","","10.1021/jacs.5b06332","","","0.71073","MoKα","","0.0661","0.0475","","","0.1283","0.1448","","","","","","1.071","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124381","4.7182","0.0002","17.4672","0.0006","12.9425","0.0005","90","","91.261","0.001","90","","1066.38","0.07","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C4 H10 N12 O2 -","- C4 H10 N12 O2 -","- C16 H40 N48 O8 -","4","1","","Zhang, Jiaheng; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Layer-by-Layer Stacking of Energetic Salts towards High-Performance Insensitive Energetic Materials.","Journal of the American Chemical Society","2015","","","150814061208001","","10.1021/jacs.5b07852","","","0.71073","MoKα","","0.0261","0.0239","","","0.0672","0.0806","","","","","","1.14","","","","has coordinates","154271","2020-10-21","18:00:00",""
"4124382","11.268","0.0012","11.7548","0.0013","18.803","0.002","87.601","0.002","77.471","0.002","69.9286","0.0019","2282.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H69 Co3 N6 O2 -","- C48.957 H69 Co2.975 N6 O1.914 -","- C97.914 H138 Co5.95 N12 O3.828 -","2","1","","Lee, Yousoon; Anderton, Kevin J.; Sloane, Forrest T.; Ermert, David M.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.","Reactivity of Hydride Bridges in High-Spin [3M-3(μ-H)] Clusters (M = Fe(II), Co(II)).","Journal of the American Chemical Society","2015","","","150817071736007","","10.1021/jacs.5b05204","","","0.71073","MoKα","","0.1152","0.0465","","","0.0889","0.1035","","","","","","0.886","","","","has coordinates,has disorder","154272","2020-10-21","18:00:00",""
"4124383","20.6868","0.0016","11.4465","0.0009","22.04","0.002","90","","112.338","0.0012","90","","4827.2","0.7","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C52 H74 Co3 N6 -","- C45 H65.97 Co2.975 N6 -","- C180 H263.88 Co11.9 N24 -","4","1","","Lee, Yousoon; Anderton, Kevin J.; Sloane, Forrest T.; Ermert, David M.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.","Reactivity of Hydride Bridges in High-Spin [3M-3(μ-H)] Clusters (M = Fe(II), Co(II)).","Journal of the American Chemical Society","2015","","","150817071736007","","10.1021/jacs.5b05204","","","0.71073","MoKα","","0.0318","0.0292","","","0.0735","0.0743","","","","","","1.022","","","","has coordinates,has disorder","154273","2020-10-21","18:00:00",""
"4124384","11.4622","0.0009","12.6992","0.001","18.1781","0.0014","76.6486","0.0013","89.7234","0.0014","87.3469","0.0014","2571.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H70 Cl4 Fe3 N6 O6 -","- C50 H70 Cl4 Fe3 N6 O6 -","- C100 H140 Cl8 Fe6 N12 O12 -","2","1","","Lee, Yousoon; Anderton, Kevin J.; Sloane, Forrest T.; Ermert, David M.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.","Reactivity of Hydride Bridges in High-Spin [3M-3(μ-H)] Clusters (M = Fe(II), Co(II)).","Journal of the American Chemical Society","2015","","","150817071736007","","10.1021/jacs.5b05204","","","0.71073","MoKα","","0.0474","0.0309","","","0.0715","0.0754","","","","","","0.97","","","","has coordinates","154274","2020-10-21","18:00:00",""
"4124385","19.85","0.0003","12.2997","0.0003","42.7542","0.0008","90","","103.41","0.002","90","","10153.8","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C55.5 H77.92 Fe2.88 N6 -","- C55.5 H77.92 Fe2.88 N6 -","- C444 H623.36 Fe23.04 N48 -","8","1","","Lee, Yousoon; Anderton, Kevin J.; Sloane, Forrest T.; Ermert, David M.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.","Reactivity of Hydride Bridges in High-Spin [3M-3(μ-H)] Clusters (M = Fe(II), Co(II)).","Journal of the American Chemical Society","2015","","","150817071736007","","10.1021/jacs.5b05204","","","1.54178","CuKα","","0.0434","0.0403","","","0.1058","0.1073","","","","","","1.019","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124386","14.5269","0.0002","12.30582","0.00014","19.9237","0.0003","90","","113.843","0.0017","90","","3257.69","0.09","110.05","0.1","110.05","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C37 H28 B F9 N P Ru -","- C37 H28 B F9 N P Ru -","- C148 H112 B4 F36 N4 P4 Ru4 -","4","1","","Milner, Lucy M.; Pridmore, Natalie E.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.","Outer-Sphere Electrophilic Fluorination of Organometallic Complexes.","Journal of the American Chemical Society","2015","137","33","10753","10759","10.1021/jacs.5b06547","","","0.7107","MoKα","","0.0261","0.0247","","","0.0497","0.051","","","","","","1.045","","","","has coordinates","154276","2020-10-21","18:00:00",""
"4124387","9.34095","0.00017","17.7554","0.0003","9.85967","0.00018","90","","102.946","0.0018","90","","1593.68","0.05","110.05","0.1","110.05","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H29 B F8 N P Ru -","- C37 H29 B F8 N P Ru -","- C74 H58 B2 F16 N2 P2 Ru2 -","2","1","","Milner, Lucy M.; Pridmore, Natalie E.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.","Outer-Sphere Electrophilic Fluorination of Organometallic Complexes.","Journal of the American Chemical Society","2015","137","33","10753","10759","10.1021/jacs.5b06547","","","0.7107","MoKα","","0.0322","0.0291","","","0.0588","0.0606","","","","","","1.035","","","","has coordinates","154277","2020-10-21","18:00:00",""
"4124388","8.8392","0.0003","8.8392","0.0003","12.6948","0.0005","90","","90","","90","","991.86","0.06","253","2","253","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","MAPbI3","","","- C H6 I3 N Pb -","- C1.04 H6.24 I3 N1.04 Pb -","- C4.16 H24.96 I12 N4.16 Pb4 -","4","0.125","","Yamada, Yasuhiro; Yamada, Takumi; Phuong, Le Quang; Maruyama, Naoki; Nishimura, Hidetaka; Wakamiya, Atsushi; Murata, Yasujiro; Kanemitsu, Yoshihiko","Dynamic Optical Properties of CH3NH3PbI3 Single Crystals As Revealed by One- and Two-Photon Excited Photoluminescence Measurements.","Journal of the American Chemical Society","2015","","","150814091520002","","10.1021/jacs.5b04503","","","0.71075","MoKa","","0.0554","0.0546","","","0.1373","0.1381","","","","","","1.31","","","","has coordinates,has disorder","278046","2022-09-21","15:45:40",""
"4124389","6.7266","0.0001","22.749","0.0004","14.1878","0.0003","90","","96.619","0.001","90","","2156.59","0.07","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 P Zr -","- C23 H35 P Zr -","- C92 H140 P4 Zr4 -","4","1","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","0.71073","MoKα","","0.0551","0.0433","","","0.1007","0.109","","","","","","1.024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124390","16.2565","0.0002","17.3093","0.0002","17.772","0.0002","90","","92.038","0.001","90","","4997.68","0.1","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H35 P Zr -","- C29 H35 P Zr -","- C232 H280 P8 Zr8 -","8","2","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","0.71073","MoKα","","0.0364","0.0317","","","0.0806","0.0845","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124391","10.4994","0.0001","15.5597","0.0003","12.442","0.0002","90","","108.667","0.001","90","","1925.69","0.05","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 P Zr -","- C19 H31 P Zr -","- C76 H124 P4 Zr4 -","4","1","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","0.71073","MoKα","","0.0357","0.0313","","","0.074","0.0775","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124392","8.4526","0.0002","17.7543","0.0005","12.2784","0.0003","90","","94.709","0.001","90","","1836.4","0.08","104","2","104","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N Zr -","- C23 H23 N Zr -","- C92 H92 N4 Zr4 -","4","1","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","0.71073","MoKα","","0.0283","0.0208","","","0.0486","0.0516","","","","","","1.067","","","","has coordinates","154279","2020-10-21","18:00:00",""
"4124393","8.7521","0.0002","26.3644","0.0006","9.3681","0.0002","90","","108.177","0.0014","90","","2053.76","0.08","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H31 N Zr -","- C23 H31 N Zr -","- C92 H124 N4 Zr4 -","4","1","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","1.54178","CuKα","","0.0288","0.0246","","","0.0512","0.0523","","","","","","1.011","","","","has coordinates","154279","2020-10-21","18:00:00",""
"4124394","12.2769","0.001","17.2992","0.0013","17.0269","0.0012","90","","98.326","0.003","90","","3578.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H23 B F15 N Zr -","- C41 H23 B F15 N Zr -","- C164 H92 B4 F60 N4 Zr4 -","4","1","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","0.71073","MoKα","","0.0443","0.0316","","","0.0655","0.071","","","","","","1.074","","","","has coordinates","154279","2020-10-21","18:00:00",""
"4124395","12.3973","0.0005","21.8075","0.0007","17.4117","0.0006","90","","109.691","0.001","90","","4432.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H28 B F20 N Zr -","- C46 H28 B F20 N Zr -","- C184 H112 B4 F80 N4 Zr4 -","4","1","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","0.71073","MoKα","","0.038","0.0313","","","0.0789","0.0817","","","","","","1.055","","","","has coordinates","154279","2020-10-21","18:00:00",""
"4124396","26.1961","0.0004","15.6264","0.0002","22.4599","0.0003","90","","114.931","0.001","90","","8337.2","0.2","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H62 B2 F30 N2 O4 Zr2 -","- C84 H62 B2 F30 N2 O4 Zr2 -","- C336 H248 B8 F120 N8 O16 Zr8 -","4","0.5","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","0.71073","MoKα","","0.063","0.0532","","","0.1407","0.1471","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124397","12.1525","0.0002","14.0852","0.0003","19.9701","0.0004","75.02","0.001","83.152","0.001","81.283","0.001","3252.49","0.11","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H44 B F24 N O2 Zr -","- C68 H44 B F24 N O2 Zr -","- C136 H88 B2 F48 N2 O4 Zr2 -","2","1","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","0.71073","MoKα","","0.1173","0.0847","","","0.1682","0.1924","","","","","","1.065","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124398","14.417","0.0005","16.7451","0.0006","17.0896","0.0006","83.045","0.001","85.707","0.001","65.299","0.001","3719.2","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H52 B F20 Fe O P Zr -","- C71 H52 B F20 Fe O P Zr -","- C142 H104 B2 F40 Fe2 O2 P2 Zr2 -","2","1","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","0.71073","MoKα","","0.0761","0.0544","","","0.1144","0.1216","","","","","","1.066","","","","has coordinates,has disorder","154279","2020-10-21","18:00:00",""
"4124399","13.0949","0.0002","16.3331","0.0003","38.1047","0.0008","90","","97.386","0.001","90","","8082.2","0.3","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C83 H66 B F24 O P Zr -","- C83 H66 B F24 O P Zr -","- C332 H264 B4 F96 O4 P4 Zr4 -","4","1","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","0.71073","MoKα","","0.1993","0.0997","","","0.248","0.2846","","","","","","1.069","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124400","16.764","0.002","5.7286","0.0007","17.464","0.002","90","","92.17","0.003","90","","1675.9","0.3","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 Cl2 O6 -","- C17 H14 Cl2 O6 -","- C68 H56 Cl8 O24 -","4","2","","Wang, Chao; Zong, Lili; Tan, Choon-Hong","Enantioselective Oxidation of Alkenes with Potassium Permanganate Catalyzed by Chiral Dicationic Bisguanidinium.","Journal of the American Chemical Society","2015","","","150813122746001","","10.1021/jacs.5b05792","","","0.71073","MoKα","","0.0965","0.0576","","","0.1073","0.1284","","","","","","1.038","","","","has coordinates","154281","2020-10-21","18:00:00",""
"4124401","9.411","0.0006","7.6061","0.0005","20.4195","0.0014","90","","102.196","0.002","90","","1428.66","0.16","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Wang, Chao; Zong, Lili; Tan, Choon-Hong","Enantioselective Oxidation of Alkenes with Potassium Permanganate Catalyzed by Chiral Dicationic Bisguanidinium.","Journal of the American Chemical Society","2015","","","150813122746001","","10.1021/jacs.5b05792","","","0.71073","MoKα","","0.094","0.0561","","","0.1268","0.1453","","","","","","1.028","","","","has coordinates","154281","2020-10-21","18:00:00",""
"4124402","6.2685","0.0002","13.9005","0.0005","18.6052","0.0005","90","","90","","90","","1621.17","0.09","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl N O4 -","- C17 H18 Cl N O4 -","- C68 H72 Cl4 N4 O16 -","4","1","","Wang, Chao; Zong, Lili; Tan, Choon-Hong","Enantioselective Oxidation of Alkenes with Potassium Permanganate Catalyzed by Chiral Dicationic Bisguanidinium.","Journal of the American Chemical Society","2015","","","150813122746001","","10.1021/jacs.5b05792","","","0.71073","MoKα","","0.0472","0.0376","","","0.0802","0.0846","","","","","","1.028","","","","has coordinates","154281","2020-10-21","18:00:00",""
"4124403","5.8957","0.0009","10.6844","0.0016","12.4428","0.0019","96.538","0.004","102.138","0.004","90.841","0.004","760.7","0.2","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C30 H44 O10 -","2","2","","Wang, Chao; Zong, Lili; Tan, Choon-Hong","Enantioselective Oxidation of Alkenes with Potassium Permanganate Catalyzed by Chiral Dicationic Bisguanidinium.","Journal of the American Chemical Society","2015","","","150813122746001","","10.1021/jacs.5b05792","","","1.54178","CuKα","","0.0516","0.051","","","0.1485","0.1506","","","","","","1.062","","","","has coordinates","154281","2020-10-21","18:00:00",""
"4124404","7.4509","0.0004","13.8684","0.0007","18.1247","0.0009","90","","90","","90","","1872.86","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C88 H92 N4 O8 S4 -","4","1","","Wang, Yi-Ming; Bruno, Nicholas C.; Placeres, Ángel L; Zhu, Shaolin; Buchwald, Stephen L.","Enantioselective Synthesis of Carbo- and Heterocycles through a CuH-Catalyzed Hydroalkylation Approach.","Journal of the American Chemical Society","2015","137","33","10524","10527","10.1021/jacs.5b07061","","","0.71073","MoKα","","0.0291","0.0274","","","0.0779","0.0792","","","","","","1.093","","","","has coordinates","154282","2020-10-21","18:00:00",""
"4124405","8.1777","0.0003","17.5288","0.0006","18.6171","0.0006","90","","101.375","0.002","90","","2616.25","0.16","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C21 H44 B2 N2 O7 -","- C21 H44 B2 N2 O7 -","- C84 H176 B8 N8 O28 -","4","2","","Wu, Hao; Garcia, Jeannette M.; Haeffner, Fredrik; Radomkit, Suttipol; Zhugralin, Adil R.; Hoveyda, Amir H.","Mechanism of NHC-Catalyzed Conjugate Additions of Diboron and Borosilane Reagents to α,β-Unsaturated Carbonyl Compounds.","Journal of the American Chemical Society","2015","","","150811140748006","","10.1021/jacs.5b06745","","","1.54178","CuKα","","0.0315","0.0309","","","0.0815","0.0823","","","","","","1.013","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124406","9.7301","0.0005","9.7301","0.0005","28.7268","0.0016","90","","90","","120","","2355.3","0.2","100","2","100","2","","","","","","","","4","P 32","P 32","145","","","","- C41 H36 N2 O -","- C41 H36 N2 O -","- C123 H108 N6 O3 -","3","1","","Wu, Hao; Garcia, Jeannette M.; Haeffner, Fredrik; Radomkit, Suttipol; Zhugralin, Adil R.; Hoveyda, Amir H.","Mechanism of NHC-Catalyzed Conjugate Additions of Diboron and Borosilane Reagents to α,β-Unsaturated Carbonyl Compounds.","Journal of the American Chemical Society","2015","","","150811140748006","","10.1021/jacs.5b06745","","","1.54178","CuKα","","0.0269","0.0268","","","0.0681","0.0682","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124407","18.8781","0.0009","12.1056","0.0005","21.2885","0.0009","90","","90","","90","","4865.1","0.4","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H33 B O6 -","- C27 H33 B O6 -","- C216 H264 B8 O48 -","8","1","","Wu, Hao; Garcia, Jeannette M.; Haeffner, Fredrik; Radomkit, Suttipol; Zhugralin, Adil R.; Hoveyda, Amir H.","Mechanism of NHC-Catalyzed Conjugate Additions of Diboron and Borosilane Reagents to α,β-Unsaturated Carbonyl Compounds.","Journal of the American Chemical Society","2015","","","150811140748006","","10.1021/jacs.5b06745","","","0.71073","MoKα","","0.084","0.045","","","0.0943","0.111","","","","","","1.009","","","","has coordinates","154285","2020-10-21","18:00:00",""
"4124408","7.62518","0.00009","19.0411","0.0002","32.4846","0.0004","90","","90","","90","","4716.5","0.09","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O2 -","- C28 H38 O2 -","- C224 H304 O16 -","8","2","","Li, Houhua; Mazet, Clément","Catalyst-Directed Diastereoselective Isomerization of Allylic Alcohols for the Stereoselective Construction of C(20) in Steroid Side Chains: Scope and Topological Diversification.","Journal of the American Chemical Society","2015","","","150811163019004","","10.1021/jacs.5b06281","","","1.54184","CuKα","","0.0399","0.0369","","","0.0979","0.1014","","","","","","1.019","","","","has coordinates","154286","2020-10-21","18:00:00",""
"4124409","31.0988","0.0012","9.8634","0.0003","7.9792","0.0002","90","","90","","90","","2447.54","0.13","180","2","180","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C28 H41 O3.5 -","- C28 H41 O3.5 -","- C112 H164 O14 -","4","1","","Li, Houhua; Mazet, Clément","Catalyst-Directed Diastereoselective Isomerization of Allylic Alcohols for the Stereoselective Construction of C(20) in Steroid Side Chains: Scope and Topological Diversification.","Journal of the American Chemical Society","2015","","","150811163019004","","10.1021/jacs.5b06281","","","1.54184","CuKα","","0.0663","0.0523","","","0.1318","0.1395","","","","","","1.121","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124410","11.4236","0.0008","7.3166","0.0004","12.1844","0.0008","90","","109.39","0.008","90","","960.63","0.12","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H36 O2 -","- C23 H36 O2 -","- C46 H72 O4 -","2","1","","Li, Houhua; Mazet, Clément","Catalyst-Directed Diastereoselective Isomerization of Allylic Alcohols for the Stereoselective Construction of C(20) in Steroid Side Chains: Scope and Topological Diversification.","Journal of the American Chemical Society","2015","","","150811163019004","","10.1021/jacs.5b06281","","","1.54184","CuKα","","0.0292","0.029","","","0.077","0.0774","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124411","10.28986","0.00016","23.9607","0.0005","29.1587","0.0005","90","","90","","90","","7189.1","0.2","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 N3 O -","- C28 H35 N3 O -","- C336 H420 N36 O12 -","12","3","","Li, Houhua; Mazet, Clément","Catalyst-Directed Diastereoselective Isomerization of Allylic Alcohols for the Stereoselective Construction of C(20) in Steroid Side Chains: Scope and Topological Diversification.","Journal of the American Chemical Society","2015","","","150811163019004","","10.1021/jacs.5b06281","","","1.54184","CuKα","","0.0529","0.0433","","","0.1113","0.1169","","","","","","1.034","","","","has coordinates","154286","2020-10-21","18:00:00",""
"4124412","7.5739","0.0003","10.7023","0.0003","14.555","0.0004","84.447","0.003","87.768","0.003","89.571","0.003","1173.37","0.07","180","2","180","2","","","","","","","","3","P 1","P 1","1","","","","- C26 H42 O2 -","- C26 H42 O2 -","- C52 H84 O4 -","2","2","","Li, Houhua; Mazet, Clément","Catalyst-Directed Diastereoselective Isomerization of Allylic Alcohols for the Stereoselective Construction of C(20) in Steroid Side Chains: Scope and Topological Diversification.","Journal of the American Chemical Society","2015","","","150811163019004","","10.1021/jacs.5b06281","","","1.54184","CuKα","","0.0476","0.0442","","","0.1219","0.1266","","","","","","1.05","","","","has coordinates","154286","2020-10-21","18:00:00",""
"4124413","10.0918","0.00016","11.48593","0.00015","25.4903","0.0004","90","","90","","90","","2954.68","0.08","180.05","0.1","180.05","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H41 N O6 -","- C35 H41 N O6 -","- C140 H164 N4 O24 -","4","1","","Li, Houhua; Mazet, Clément","Catalyst-Directed Diastereoselective Isomerization of Allylic Alcohols for the Stereoselective Construction of C(20) in Steroid Side Chains: Scope and Topological Diversification.","Journal of the American Chemical Society","2015","","","150811163019004","","10.1021/jacs.5b06281","","","1.5418","CuKα","","0.0322","0.0303","","","0.0796","0.0816","","","","","","1.04","","","","has coordinates","154286","2020-10-21","18:00:00",""
"4124414","5.8667","0.0011","38.923","0.006","38.924","0.006","119.655","0.01","92.878","0.009","92.933","0.009","7685","2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C15.5 H13 O2.17 -","- C15.5 H13 O2.16667 -","- C372 H312 O52 -","24","12","","Wang, Xueqiang; Nakajima, Masaki; Martin, Ruben","Ni-Catalyzed Regioselective Hydrocarboxylation of Alkynes with CO2 by Using Simple Alcohols as Proton Sources.","Journal of the American Chemical Society","2015","137","28","8924","8927","10.1021/jacs.5b05513","","","0.7107","MoKα","","0.1739","0.0797","","","0.167","0.2075","","","","","","1.024","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124415","5.827","0.003","18.141","0.006","14.817","0.006","90","","98.777","0.009","90","","1547.9","1.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Wang, Xueqiang; Nakajima, Masaki; Martin, Ruben","Ni-Catalyzed Regioselective Hydrocarboxylation of Alkynes with CO2 by Using Simple Alcohols as Proton Sources.","Journal of the American Chemical Society","2015","137","28","8924","8927","10.1021/jacs.5b05513","","","0.7107","MoKα","","0.0596","0.0565","","","0.1429","0.1442","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124416","5.8239","0.0004","9.0597","0.0006","13.9214","0.0008","84.6047","0.0018","84.7115","0.0018","79.8913","0.0019","717.78","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C34 H32 O8 -","2","1","","Wang, Xueqiang; Nakajima, Masaki; Martin, Ruben","Ni-Catalyzed Regioselective Hydrocarboxylation of Alkynes with CO2 by Using Simple Alcohols as Proton Sources.","Journal of the American Chemical Society","2015","137","28","8924","8927","10.1021/jacs.5b05513","","","0.71073","MoKα","","0.055","0.0449","","","0.1207","0.1285","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124417","11.5211","0.0008","18.3093","0.0013","23.3063","0.0016","90","","92.1689","0.0012","90","","4912.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H74 B Fe N8 -","- C56 H74 B Fe N8 -","- C224 H296 B4 Fe4 N32 -","4","1","","McSkimming, Alex; Harman, W. Hill","A Terminal N2 Complex of High-Spin Iron(I) in a Weak, Trigonal Ligand Field.","Journal of the American Chemical Society","2015","137","28","8940","8943","10.1021/jacs.5b06337","","","0.71073","MoKα","","0.0605","0.0403","","","0.1038","0.1138","","","","","","1.021","","","","has coordinates,has disorder","154290","2020-10-21","18:00:00",""
"4124418","19.743","0.0007","13.7058","0.0005","22.0232","0.0008","90","","97.4449","0.0006","90","","5909.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H62 B2 Fe2 N14 -","- C66 H62 B2 Fe2 N14 -","- C264 H248 B8 Fe8 N56 -","4","0.5","","McSkimming, Alex; Harman, W. Hill","A Terminal N2 Complex of High-Spin Iron(I) in a Weak, Trigonal Ligand Field.","Journal of the American Chemical Society","2015","137","28","8940","8943","10.1021/jacs.5b06337","","","0.71073","MoKα","","0.0424","0.0332","","","0.0821","0.0873","","","","","","1.027","","","","has coordinates","154290","2020-10-21","18:00:00",""
"4124419","9.509","","9.494","","9.957","","117.19","","110.88","","94.18","","716.375","","","","","","","","","","","","","8","P -1","-P 1","2","","K4 Pt2 (P2 O5 H2)4 (S C N)2 (H2 O)2","","- C2 H12 K4 N2 O22 P8 Pt2 S2 -","- C2 K4 N2 O22 P8 Pt2 S2 -","- C2 K4 N2 O22 P8 Pt2 S2 -","1","0.5","","Che, C.M.; Mak, T.C.W.; Lee, W.M.; Gray, H.B.","Axial-ligand and metal-metal trans influences in binuclear platinum(III) complexes. Crystal structures and spectroscopic properties of K4 Pt2 (P2 O5 H2)4 (S C N)2 (H2 O)2 etc.","Journal of the American Chemical Society","1986","108","","4446","4451","","","","","","","","","","","","","","","","","","","","","","has coordinates","154363","2020-10-21","18:00:00",""
"4124420","16.545","","18.091","","10.653","","90","","92.8","","90","","3184.8","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","K6 Pt2 (P2 O5 H2)4 (N O2)4 (H2 O)2","","- K6 N3.512 O29.026 P8 Pt2 -","- K6 N3.512 O29.026 P8 Pt2 -","- K24 N14.048 O116.104 P32 Pt8 -","4","0.5","","Che, C.M.; Lee, W.M.; Mak, T.C.W.; Gray, H.B.","Axial-ligand and metal-metal trans influences in binuclear platinum(III) complexes. Crystal structures and spectroscopic properties of K4 Pt2 (P2 O5 H2)4 (S C N)2 (H2 O)2 etc.","Journal of the American Chemical Society","1986","108","","4446","4451","","","","","","","","","","","","","","","","","","","","","","has coordinates","154364","2020-10-21","18:00:00",""
"4124421","7.658","","9.084","","15.426","","90","","90","","90","","1073.11","","","","","","","","","","","","","6","P m c n","-P 2n 2a","62","","(C O)4 Mn B3 H7 Br","","- C4 H7 B3 Br Mn O4 -","- C4 H7 B3 Br Mn O4 -","- C16 H28 B12 Br4 Mn4 O16 -","4","0.5","","Chen, M.W.; Calabrese, J.C.; Gaines, D.F.; Hillenbrand, D.F.","Low-temperature crystal and molecular structure of tetracarbonyl (2-bromoheptahydrotriborato(1-)) manganese (C O)4 Mn B3 H7 Br and a 1H NMR study of the kinetics of its intramolecular hydrogen exchange in solution","Journal of the American Chemical Society","1980","102","","4928","4933","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124422","12.35","","9.627","","10.407","","90","","103.66","","90","","1202.32","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Fe4 (N O)4 S4","","- Fe4 N4 O4 S4 -","- Fe4 N4 O4 S4 -","- Fe16 N16 O16 S16 -","4","1","","Chu, C.T.-W.; Lo, F.Y.K.; Dahl, L.F.","The (Fe4 (N O)4 (mue-S)4)n series (n=0,-1) which possesses a cubanelike Fe4 S4 core: direct evidence for the antibonding tetrametal character of the unpaired electron upon a one-electron reduction of a completely bonding tetrahedral metal cluster","Journal of the American Chemical Society","1982","104","","3409","3422","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124423","8.95","","9.112","","8.928","","103.38","","93.75","","70.19","","666.351","","","","","","","","","","","","","6","P -1","-P 1","2","","V (H2 O)6 (H5 O2) (C F3 S O3)4","","- C4 H17 F12 O20 S4 V -","- C4 H17 F12 O20 S4 V -","- C4 H17 F12 O20 S4 V -","1","0.5","","Cotton, F.A.; Lewis, G.E.; Fair, C.K.; Williams, J.M.; Mott, G.N.; Ross, F.K.; Schultz, A.J.","Precise structural characterizations of the hexaaquovanadium(III) and diaquohydrogen ions. X-ray and neutron diffraction studies of (V (H2 O)6) (H5 O2) (C F3 S O3)4","Journal of the American Chemical Society","1984","106","","5319","5323","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124424","8.942","","8.902","","8.774","","103.4","","95.2","","69.9","","637.985","","","","","","","","","","","","","6","P -1","-P 1","2","","V (H2 O)6 (H5 O2) (C F3 S O3)4","","- C4 H17 F12 O20 S4 V -","- C4 H17 F12 O20 S4 V -","- C4 H17 F12 O20 S4 V -","1","0.5","","Cotton, F.A.; Mott, G.N.; Fair, C.K.; Lewis, G.E.; Schultz, A.J.; Ross, F.K.; Williams, J.M.","Precise structural characterizations of the hexaaquovanadium(III) and diaquohydrogen ions. X-ray and neutron diffraction studies of (V (H2 O)6) (H5 O2) (C F3 S O3)4","Journal of the American Chemical Society","1984","106","","5319","5323","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124425","12.261","","12.261","","12.261","","90","","90","","90","","1843.22","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Rb11 Na (Al12 Si12 O48)","","- Al12 Na O48 Rb11 Si12 -","- Al12 Na O48 Rb11 Si12 -","- Al12 Na O48 Rb11 Si12 -","1","0.0208333","","Firor, R.L.; Seff, K.","Zero-coordinate Rb+. The dehydrated and hydrated crystal structures of eleven-twelfths rubidium-exchanged zeolite A","Journal of the American Chemical Society","1977","99","","1112","1117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124426","12.321","","12.321","","12.321","","90","","90","","90","","1870.42","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","Rb11 Na (Al Si O4)12 (H2 O)7","","- Al12 H14 Na O55 Rb11 Si12 -","- Al12 O54.996 Rb11.0062 Si12 -","- Al12 O54.996 Rb11.0062 Si12 -","1","0.0208333","","Firor, R.L.; Seff, K.","Zero-coordinate Rb+. The dehydrated and hydrated crystal structures of eleven-twelfths rubidium-exchanged zeolite A","Journal of the American Chemical Society","1977","99","","1112","1117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124427","12.266","","12.266","","12.266","","90","","90","","90","","1845.48","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Cs7 K5 Al12 Si12 O48","","- Al12 Cs7 K5 O48 Si12 -","- Al12 Cs7 K5 O48 Si12 -","- Al12 Cs7 K5 O48 Si12 -","1","0.0208333","","Firor, R.L.; Seff, K.","Zero-coordinate K+: Crystal structure of dehydrated cesium and potassium exchanged zeolite A. Cs7 K5 - A","Journal of the American Chemical Society","1977","99","","6249","6253","","","","","","","","","","","","","","","","","","","","","","has coordinates","154858","2020-10-21","18:00:00",""
"4124428","12.296","","12.296","","12.296","","90","","90","","90","","1859.05","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Eu5.75 Na0.5 Si12 Al12 O48","","- Al12 Eu5.75 Na0.5 O48 Si12 -","- Al12 Eu5.7499 O48 Si12 -","- Al12 Eu5.7499 O48 Si12 -","1","0.0208333","","Firor, R.L.; Seff, K.","Near-zero-coordinate, three-coordinate, and four-coordinate europium(II). Bonding effects involving europium(II) valence orbitals. Crystal structure of dehydrated near-fully europium(II)- exchanged zeolite A","Journal of the American Chemical Society","1977","99","","7059","7061","","","","","","","","","","","","","","","","","","","","","","has coordinates","154859","2020-10-21","18:00:00",""
"4124429","12.38","","12.38","","12.38","","90","","90","","90","","1897.41","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Tl13 (Al12 Si12 O48) (O H) (H2 O)9","","- Al12 H19 O58 Si12 Tl13 -","- Al12 O57 Si12 Tl13.0016 -","- Al12 O57 Si12 Tl13.0016 -","1","0.0208333","","Firor, R.L.; Seff, K.","Near-zero-coordinate thallium(I). The crystal structures of hydrated and dehydrated zeolite A fully exchanged with Tl O H","Journal of the American Chemical Society","1977","99","","4039","4044","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124430","12.18","","12.18","","12.18","","90","","90","","90","","1806.93","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Tl12 (Al12 Si12 O48)","","- Al12 O48 Si12 Tl12 -","- Al12 O48 Si12 Tl12.0008 -","- Al12 O48 Si12 Tl12.0008 -","1","0.0208333","","Firor, R.L.; Seff, K.","Near-zero-coordinate thallium(I). The crystal structures of hydrated and dehydrated zeolite A fully exchanged with Tl O H","Journal of the American Chemical Society","1977","99","","4039","4044","","","","","","","","","","","","","","","","","","","","","","has coordinates","154861","2020-10-21","18:00:00",""
"4124431","12.238","","12.238","","12.238","","90","","90","","90","","1832.87","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","(Eu O)2.75 Eu1.75 Na3 Si12 Al12 O48","","- Al12 Eu4.504 Na0.9996 O50.752 Si12 -","- Al12 Eu4.504 Na0.9996 O50.752 Si12 -","- Al12 Eu4.504 Na0.9996 O50.752 Si12 -","1","0.0208333","","Firor, R.L.; Seff, K.","Europium(IV), a new oxidation state for europium. crystal structure of dehydrated europium(II)-exchanged sodium zeolite A, Eu4.5 Na3-A, partially oxidized by oxygen","Journal of the American Chemical Society","1978","100","","976","978","","","","","","","","","","","","","","","","","","","","","","has coordinates","154862","2020-10-21","18:00:00",""
"4124432","12.251","","12.251","","12.251","","90","","90","","90","","1838.72","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","(Eu Cl2)4 Eu1.48 Na Si12 Al12 O48","","- Al12 Cl8 Eu5.48 Na O48 Si12 -","- Al12 Cl8 Eu5.4796 O48 Si12 -","- Al12 Cl8 Eu5.4796 O48 Si12 -","1","0.0208333","","Firor, R.L.; Seff, K.","Five-coordinate europium(IV) and zero-coordinate europium(II). Crystal structure of dehydrated near-fully europium(II)-exchanged zeolite A, Eu5.5 Na-A partially oxidized by chlorine","Journal of the American Chemical Society","1978","100","","978","980","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124433","12.278","","12.278","","12.278","","90","","90","","90","","1850.9","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ca6 (Si12 Al12 O48)","","- Al12 Ca6 O48 Si12 -","- Al12 Ca5.9996 O48 Si12 -","- Al12 Ca5.9996 O48 Si12 -","1","0.0208333","","Firor, R.L.; Seff, K.","Near zero coordinate Ca2+ and Sr2+ in zeolite A. Crystal structures of dehydrated Ca6-A and Sr6-A","Journal of the American Chemical Society","1978","100","","3091","3096","","","","","","","","","","","","","","","","","","","","","","has coordinates","154864","2020-10-21","18:00:00",""
"4124434","12.316","","12.316","","12.316","","90","","90","","90","","1868.14","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sr Si2 Al2 O8","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr1.00013 -","- Al12 O48 Si12 Sr6.0008 -","6","0.125","","Firor, R.L.; Seff, K.","Near zero coordinate Ca2+ and Sr2+ in zeolite A. Crystal structures of dehydrated Ca6-A and Sr6-A","Journal of the American Chemical Society","1978","100","","3091","3096","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124435","16.656","","9.761","","16.776","","90","","118.09","","90","","2406.16","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ir6 (C O)16","","- C16 Ir6 O16 -","- C16 Ir6 O16 -","- C64 Ir24 O64 -","4","0.5","","Garlaschelli, L.; Martinengo, S.; Bellon, P.L.; Demartin, F.; Chiang, M.Y.; Manassero, M.; Wei, C.Y.; Bau, R.","Structures of Two Isomers of Ir6 (C O)16","Journal of the American Chemical Society","1984","106","","6664","6667","","","","","","","","","","","","","","","","","","","","","","has coordinates","154909","2020-10-21","18:00:00",""
"4124436","13.622","","12.807","","18.589","","90","","132.65","","90","","2385.23","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Ir6 (C O)16","","- C16 Ir6 O16 -","- C16 Ir6 O16 -","- C64 Ir24 O64 -","4","1","","Garlaschelli, L.; Martinengo, S.; Chiang, M.Y.; Bellon, P.L.; Demartin, F.; Manassero, M.; Bau, R.; Wei, C.Y.","Structures of two isomers of Ir6 (C O)16","Journal of the American Chemical Society","1984","106","","6664","6667","","","","","","","","","","","","","","","","","","","","","","has coordinates","154910","2020-10-21","18:00:00",""
"4124437","6.694","","7.85","","12.168","","90","","90","","90","","639.403","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","(S4 (N H)4)","","- H4 N4 S4 -","- H4 N4 S4 -","- H16 N16 S16 -","4","0.5","","Gregson, D.; Klebe, G.; Fuess, H.","Charge Density Distribution in Tetrasulfur Tetraamide (S4 (N H4))","Journal of the American Chemical Society","1988","110","","8488","8493","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124438","12.252","","12.252","","12.252","","90","","90","","90","","1839.17","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Cs9.08 Na3.52 (Al12 Si12 O48)","","- Al12 Cs9.08 Na3.52 O48 Si12 -","- Al12 Cs9.08 Na3.52 O48 Si12 -","- Al12 Cs9.08 Na3.52 O48 Si12 -","1","0.0208333","","Heo, N.-H.; Seff, K.","Reaction of dehydrated Na12-A with cesium. Synthesis and crystal structure of fully dehydrated, fully Cs+ -exchanged Zeolite A","Journal of the American Chemical Society","1987","109","","7986","7992","","","","","","","","","","","","","","","","","","","","","","has coordinates","155049","2020-10-21","18:00:00",""
"4124439","12.279","","12.279","","12.279","","90","","90","","90","","1851.35","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Cs12.48 (Al12 Si12 O48)","","- Al12 Cs12.48 O48 Si12 -","- Al12 Cs12.48 O48 Si12 -","- Al12 Cs12.48 O48 Si12 -","1","0.0208333","","Heo, N.-H.; Seff, K.","Reaction of dehydrated Na12-A with cesium. Synthesis and crystal structure of fully dehydrated, fully Cs+ -exchanged Zeolite A","Journal of the American Chemical Society","1987","109","","7986","7992","","","","","","","","","","","","","","","","","","","","","","has coordinates","155050","2020-10-21","18:00:00",""
"4124440","16.088","","14.409","","13.14","","90","","90","","90","","3046.01","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Cs Zr6 I14 Mn","","- Cs I14 Mn Zr6 -","- Cs I14 Mn Zr6 -","- Cs4 I56 Mn4 Zr24 -","4","","","Hughbanks, T.; Corbett, J.D.; Rosenthal, G.","Encapsulation of the Transition Metals Chromium through Cobalt in Zirconium Cluster Iodides","Journal of the American Chemical Society","1988","110","","1511","1516","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124441","16.021","","14.38","","13.075","","90","","90","","90","","3012.24","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Cs0.63 Zr6 I14 Fe","","- Cs0.63 Fe I14 Zr6 -","- Cs0.63 Fe I14 Zr6 -","- Cs2.52 Fe4 I56 Zr24 -","4","","","Hughbanks, T.; Rosenthal, G.; Corbett, J.D.","Encapsulation of the transition metals chromium through cobalt in zirconium cluster iodides","Journal of the American Chemical Society","1988","110","","1511","1516","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124442","12.295","","12.295","","12.295","","90","","90","","90","","1858.6","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","(Ag4)2 (N3 H5)9 (Si12 Al12 O48)","","- Ag8 Al12 H45 N27 O48 Si12 -","- Ag8.0004 Al12 N27.0006 O48 Si12 -","- Ag8.0004 Al12 N27.0006 O48 Si12 -","1","0.0208333","","Kim, Y.; Gilje, J.W.; Seff, K.","Synthesis and structures of two new hydrides of nitrogen, triazane (N3 H5) and cyclotriazane (N3 H3). Crystallographic ... analyses of vacuum-dehydrated patially decomposed fully Ag+ -exchanged Zeolite A ...","Journal of the American Chemical Society","1977","99","","7057","7059","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124443","12.244","","12.244","","12.244","","90","","90","","90","","1835.57","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","H2.25 Ag12 Cl2.248 Si12 Al12 O48 (Cl2)6","","- Ag12 Al12 Cl14.248 H2.25 O48 Si12 -","- Ag12.008 Al12 Cl14.248 H2.25 O48 Si12 -","- Ag12.008 Al12 Cl14.248 H2.25 O48 Si12 -","1","0.0208333","","Kim, Y.; Seff, K.","Oxidation of hexasilver to silver chloride by dichlorine. Crystal structure of H2.25 Ag12 Cl2.25 Si12 Al12 O48 * (Cl2)6 a chlorine sorption complex of partially dehydrated fully Ag+ -exchanged ...","Journal of the American Chemical Society","1978","100","","3801","3805","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124444","12.279","","12.279","","12.279","","90","","90","","90","","1851.35","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ag7.48 Si12 Al12 O48","","- Ag7.48 Al12 O48 Si12 -","- Ag7.48 Al12 O48 Si12 -","- Ag7.48 Al12 O48 Si12 -","1","0.0208333","","Kim, Y.; Seff, K.","The octahedral hexasilver molecule. Seven crystal structures of variously vacuum-dehydrated fully Ag+ -exchanged zeolite A","Journal of the American Chemical Society","1978","100","","6989","6997","","","","","","","","","","","","","","","","","","","","","","has coordinates","155150","2020-10-21","18:00:00",""
"4124445","13.009","","15.974","","17.087","","90","","98.93","","90","","3507.74","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cs6 W5 P2 O23 (H2 O)7.5","","- Cs6 H15 O30.5 P2 W5 -","- Cs6 O30.5 P2 W5 -","- Cs24 O122 P8 W20 -","4","1","","Knoth, W.H.; Harlow, R.L.","New tunstophosphates: Cs6 W5 P2 O23, Cs7 W10 P O36 and Cs7 Na2 W10 P O37","Journal of the American Chemical Society","1981","103","","1865","1867","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124446","10.992","","19.347","","21.9","","90","","94.41","","90","","4643.51","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(Pt Rh10 N (C O)21) Cs (N (C H3)4)2","","- C29 H24 Cs N3 O21 Pt Rh10 -","- C29 H24 Cs N3 O21 Pt Rh10 -","- C116 H96 Cs4 N12 O84 Pt4 Rh40 -","4","0.5","","Martinengo, S.; Ciani, G.; Sironi, A.","A mixed-metal nitrido carbonyl cluster compound. Synthesis and X-Ray structure of the (Pt Rh10 N (mue-C O)10 (C O)11)(3-) anion","Journal of the American Chemical Society","1982","104","","328","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","198640","2020-10-21","18:00:00",""
"4124447","12.269","","12.269","","12.269","","90","","90","","90","","1846.83","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","Cd9.5 (Si12 Al12 O48) Cl4 (O H)3","","- Al12 Cd9.5 Cl4 H3 O51 Si12 -","- Al12 Cd9.499 Cl3.9984 O51 Si12 -","- Al12 Cd9.499 Cl3.9984 O51 Si12 -","1","0.0208333","","McCusker, L.B.; Seff, K.","Zero-coordinate cadmium(II). Over ion exchange. Crystal structures of hydrated and dehydrated zeolite A exchanged with Cd Cl2 to give Cd9.5 Cl4 (O H)3 -A","Journal of the American Chemical Society","1978","100","","5052","5057","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124448","12.219","","12.219","","12.219","","90","","90","","90","","1824.34","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","Cd9.5 (Si12 Al12 O48) Cl4 (O H)3 (H2 O)4","","- Al12 Cd9.5 Cl4 H11 O55 Si12 -","- Al12 Cd9.4975 Cl3.999 O55 Si12 -","- Al12 Cd9.4975 Cl3.999 O55 Si12 -","1","0.0208333","","McCusker, L.B.; Seff, K.","Zero-coordinate cadmium(II). Over ion exchange. Crystal structures of hydrated and dehydrated zeolite A exchanged with Cd Cl2 to give Cd9.5 Cl4 (O H)3 -A","Journal of the American Chemical Society","1978","100","","5052","5057","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124449","7.038","","8.858","","10.636","","69.19","","89.54","","68.37","","570.379","","","","","","","","","","","","","4","P -1","-P 1","2","","Cr (H2 O)4 H P2 O7 (H2 O)3","","- Cr H15 O14 P2 -","- Cr H15 O14 P2 -","- Cr2 H30 O28 P4 -","2","1","","Merritt, E.A.; Dunaway-Mariano, D.; Sundaralingam, M.","Crystal structure and chelate ring pucker of bidentate (pyrophosphato)tetraaquochromium(III) trihydrate, a model for metal-ADP coordination","Journal of the American Chemical Society","1981","103","","3565","3567","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124450","8.315","","8.384","","10.031","","90","","101.63","","90","","684.934","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","K F (H F)2.5","","- F3.5 H2.5 K -","- F3.5 H2.5 K -","- F28 H20 K8 -","8","2","","Mootz, D.; Boenigk, D.","Fluorides and fluoro acids. 12. Complex-anion homology and isomerism in the crystal structures of two potassium poly(hydrogen fluorides), K F (H F)2.5 and K F (H F)3","Journal of the American Chemical Society","1986","108","","6634","6636","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124451","7.458","","7.458","","11.818","","90","","90","","120","","569.271","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","K H3 F4","","- F4 H3 K -","- F4 H3 K -","- F24 H18 K6 -","6","0.166667","","Mootz, D.; Boenigk, D.","Fluorides and fluoro acids. 12. Complex-anion homology and isomerism in the crystal structures of two potassium poly(hydrogen fluorides), K F (H F)2.5 and K F (H F)3","Journal of the American Chemical Society","1986","108","","6634","6636","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124452","11.774","","11.774","","11.774","","90","","90","","90","","1632.19","","","","","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","H (P F6) (H2 O)7.67","","- F6 H16.34 O7.67 P -","- F6 H15.3333 O7.66667 P -","- F36 H92 O46 P6 -","6","0.125","","Mootz, D.; Oellers, E.J.; Wiebcke, M.","First examples of type I clathrate hydrates of strong acids: Polyhydrates of hexafluorophosphoric, tetrafluoroboric, and perchloric acid","Journal of the American Chemical Society","1987","109","","1200","1202","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124453","6.325","","7.386","","9.581","","90","","104.92","","90","","432.5","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tl2 Pt (C N)4","","- C4 N4 Pt Tl2 -","- C4 N4 Pt Tl2 -","- C8 N8 Pt2 Tl4 -","2","0.5","","Nagle, J.K.; Olmstead, M.M.; Balch, A.L.","Tl2 Pt (C N)4: A Noncolumnar Luminescent Form of (Pt (C N)4)(2-) containing Pt-Tl bonds","Journal of the American Chemical Society","1988","110","","319","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124454","24.68","","24.68","","24.68","","90","","90","","90","","15032.6","","","","","","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","Sr45.44 Al90.884 Si101.52 O386 H2.25","","- Al90.884 H2.25 O386 Si101.52 Sr45.44 -","- Al90.8896 O385.92 Si101.51 Sr45.44 -","- Al90.8896 O385.92 Si101.51 Sr45.44 -","1","0.00520833","","Pluth, J.J.; Smith, J.V.","Crystal structure of dehydrated Sr-exchanged Zeolite A. Absence of near-zero-coordinate Sr2+. Presence of Al complex","Journal of the American Chemical Society","1982","104","","6977","6982","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124455","5.687","","15.168","","12.909","","90","","90","","90","","1113.54","","","","","","","","","","","","","1","C m c m","-C 2c 2","63","","Ir (C O)3 Cl","","- Ir -","- Ir -","- Ir8 -","8","0.5","","Reis, A.H.jr.; Hagley, V.S.; Peterson, S.W.","Stabilization of one-dimensional conducting materials by carbonyl ligands. Crystal structure and molecular structure of Ir (C O)3 Cl","Journal of the American Chemical Society","1977","99","","4184","4186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124456","19.0634","0.001","19.5919","0.001","26.7981","0.0014","93.424","0.002","90.859","0.002","104.756","0.002","9656.7","0.9","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C175 H198 Ag25 Cl2 P S18 -","- C175 H198 Ag25 Cl2 P S18 -","- C350 H396 Ag50 Cl4 P2 S36 -","2","1","","Joshi, Chakra P.; Bootharaju, Megalamane S.; Alhilaly, Mohammad J.; Bakr, Osman M.","[Ag25(SR)18](-): The ""Golden"" Silver Nanoparticle.","Journal of the American Chemical Society","2015","137","36","11578","11581","10.1021/jacs.5b07088","","","0.71073","MoKα","","0.1536","0.0622","","","0.1148","0.1506","","","","","","1.029","","","","has coordinates","160535","2020-10-21","18:00:00",""
"4124457","15.7065","0.0004","5.75911","0.00017","26.4848","0.0006","90","","104.419","0.002","90","","2320.23","0.11","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 F9 O2 -","- C24 H21 F9 O2 -","- C96 H84 F36 O8 -","4","1","","Li, Zhaodong; García-Domínguez, Andrés; Nevado, Cristina","Pd-Catalyzed Stereoselective Carboperfluoroalkylation of Alkynes.","Journal of the American Chemical Society","2015","137","36","11610","11613","10.1021/jacs.5b07432","","","1.54184","CuKα","","0.0512","0.043","","","0.113","0.1213","","","","","","1.042","","","","has coordinates","160536","2020-10-21","18:00:00",""
"4124458","14.915","0.0004","18.5815","0.0005","27.645","0.0005","96.535","0.0005","91.7439","0.0008","102.01","0.0006","7433.7","0.3","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H65 B F24 Ge N2 O3 W -","- C72 H65 B F24 Ge N2 O3 W -","- C288 H260 B4 F96 Ge4 N8 O12 W4 -","4","2","","Inomata, Koya; Watanabe, Takahito; Miyazaki, Yoshikazu; Tobita, Hiromi","Insertion of a Cationic Metallogermylene into E-H Bonds (E = H, B, Si).","Journal of the American Chemical Society","2015","137","37","11935","11937","10.1021/jacs.5b08169","","","0.71073","MoKα","","0.0998","0.0728","","","0.1612","0.1756","","","","","","1.138","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124459","16.2451","0.0005","22.0047","0.0009","25.4722","0.001","64.8116","0.001","77.7275","0.0007","76.6013","0.0007","7948","0.5","140","2","140","2","","","","","","","","9","P -1","-P 1","2","","","","- C76 H75 B F24 Ge N2 O3 Si W -","- C76 H75 B F24 Ge N2 O3 Si W -","- C304 H300 B4 F96 Ge4 N8 O12 Si4 W4 -","4","2","","Inomata, Koya; Watanabe, Takahito; Miyazaki, Yoshikazu; Tobita, Hiromi","Insertion of a Cationic Metallogermylene into E-H Bonds (E = H, B, Si).","Journal of the American Chemical Society","2015","137","37","11935","11937","10.1021/jacs.5b08169","","","0.71073","MoKα","","0.1049","0.0732","","","0.1629","0.1798","","","","","","1.117","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124460","15.3276","0.0012","11.0066","0.001","24.485","0.002","90","","102.697","0.009","90","","4029.7","0.6","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H31 Cl4 I4 N9 -","- C30 H31 Cl4 I4 N9 -","- C120 H124 Cl16 I16 N36 -","4","0.5","","Jungbauer, Stefan H.; Huber, Stefan M.","Cationic Multidentate Halogen-Bond Donors in Halide Abstraction Organocatalysis: Catalyst Optimization by Preorganization.","Journal of the American Chemical Society","2015","137","37","12110","12120","10.1021/jacs.5b07863","","","0.71073","MoKα","","0.0331","0.0268","","","0.066","0.0683","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124461","12.053","0.0016","13.0094","0.0015","13.3989","0.0016","84.363","0.014","84.563","0.015","66.768","0.014","1917.7","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 F9 I2 N6 O6 S2 -","- C29 H23 F9.003 I2 N6 O6 S2 -","- C58 H46 F18.006 I4 N12 O12 S4 -","2","1","","Jungbauer, Stefan H.; Huber, Stefan M.","Cationic Multidentate Halogen-Bond Donors in Halide Abstraction Organocatalysis: Catalyst Optimization by Preorganization.","Journal of the American Chemical Society","2015","137","37","12110","12120","10.1021/jacs.5b07863","","","0.71073","MoKα","","0.0713","0.0562","","","0.1459","0.1556","","","","","","0.924","","","","has coordinates,has disorder","160537","2020-10-21","18:00:00",""
"4124462","13.9182","0.0015","12.7231","0.001","20.513","0.002","90","","93.713","0.014","90","","3624.9","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 F9 I2 N5 O6 S2 -","- C27 H20 F9 I2 N5 O6 S2 -","- C108 H80 F36 I8 N20 O24 S8 -","4","1","","Jungbauer, Stefan H.; Huber, Stefan M.","Cationic Multidentate Halogen-Bond Donors in Halide Abstraction Organocatalysis: Catalyst Optimization by Preorganization.","Journal of the American Chemical Society","2015","137","37","12110","12120","10.1021/jacs.5b07863","","","0.71073","MoKα","","0.0642","0.0362","","","0.0814","0.088","","","","","","0.858","","","","has coordinates,has disorder","160537","2020-10-21","18:00:00",""
"4124463","15.933","","14.377","","12.952","","90","","90","","90","","2966.9","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Zr6 I14 K","","- I14 K Zr6 -","- I14 K Zr6 -","- I56 K4 Zr24 -","4","","","Smith, J.D.; Corbett, J.D.","A remarkable alkali-metal-centered Zirconium cluster in potassium hexazirconium tetradecaiodide Zr6 I14 K Synthesis and characterization","Journal of the American Chemical Society","1984","106","","4618","4619","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124464","15.892","","14.288","","12.899","","90","","90","","90","","2928.91","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","K.46 Zr6 I14","","- I14 K0.46 Zr6 -","- I14 K0.46 Zr6 -","- I56 K1.84 Zr24 -","4","","","Smith, J.D.; Corbett, J.D.","A remarkable alkali-metal-centered Zirconium cluster in potassium hexazirconium tetradecaiodide Zr6 I14 K Synthesis and characterization","Journal of the American Chemical Society","1984","106","","4618","4619","","","","","","","","","","","","","","","","","","","","","","has coordinates","156001","2020-10-21","18:00:00",""
"4124465","15.997","","14.283","","12.996","","90","","90","","90","","2969.39","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Cs0.3 Zr6 Si I14","","- Cs0.3 I14 Si Zr6 -","- Cs0.3 I14 Si Zr6 -","- Cs1.2 I56 Si4 Zr24 -","4","","","Smith, J.D.; Corbett, J.D.","Four zirconium iodide cluster phases centered by boron, aluminum, or silicon","Journal of the American Chemical Society","1986","108","","1927","1934","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124466","15.907","","14.284","","12.973","","90","","90","","90","","2947.67","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Cs0.69 Zr6 Al I14","","- Al Cs0.69 I14 Zr6 -","- Al Cs0.69 I14 Zr6 -","- Al4 Cs2.76 I56 Zr24 -","4","","","Smith, J.D.; Corbett, J.D.","Four zirconium iodide cluster phases centered by boron, aluminum, or silicon","Journal of the American Chemical Society","1986","108","","1927","1934","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124467","12.099","","12.099","","12.099","","90","","90","","90","","1771.12","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","(Co4 Na4 (Al12 Si12 O48)) (Cl2)4","","- Al12 Cl8 Co4 Na4 O48 Si12 -","- Al12 Cl8.0008 Co4 Na3.9996 O48 Si12 -","- Al12 Cl8.0008 Co4 Na3.9996 O48 Si12 -","1","0.0208333","","Subramanian, V.; Seff, K.; Ottersen, T.","A molecular chlorine complex of cobalt(II). The crystal structure of a dichlorine sorption complex of dehydrated cobalt(II)- exchanged sodium zeolite A, Co4 Na4 - A (Cl2)4","Journal of the American Chemical Society","1978","100","","2911","2913","","","","","","","","","","","","","","","","","","","","","","has coordinates","156054","2020-10-21","18:00:00",""
"4124468","8.473","","15.056","","16.048","","90","","95.42","","90","","2038.08","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","H Fe5 N (C O)14","","- C14 H Fe5 N O14 -","- C14 H Fe5 N O14 -","- C56 H4 Fe20 N4 O56 -","4","1","","Tachikawa, M.; Stein, J.; Muetterties, E.L.; Beno, M.A.; Gebert, E.; Teller, R.G.; Williams, J.M.","Metal clusters with exposed and low-coordinate nitride nitrogen atoms","Journal of the American Chemical Society","1980","102","","6648","6649","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124469","23.072","","11.557","","5.543","","90","","90","","90","","1478","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","K2 Fe (C O)4","","- C4 Fe K2 O4 -","- C4 Fe K2 O4 -","- C32 Fe8 K16 O32 -","8","0.25","","Teller, R.G.; Finke, R.G.; Bau, R.; Collman, J.P.; Chin, H.B.","Dependence of the (Fe (C O)4)(2-) geometry on counterion: crystal structures of K2 Fe (C O)4 and (Na(Crypt))2(Fe (C O)4) (Crypt=N(CH2CH2OCH2CH2OCH2CH2)3N)","Journal of the American Chemical Society","1977","99","","1104","1111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124470","8.823","","11.523","","7.85","","98.89","","109.82","","87.92","","741.682","","","","","","","","","","","","","5","P -1","-P 1","2","","(H (Fe (C O)3)3) (B H4)","","- C9 H5 B Fe3 O9 -","- C9 B Fe3 O9 -","- C18 B2 Fe6 O18 -","2","1","","Vites, J.C.; Housecroft, C.E.; Eigenbrot, C.; Buhl, M.L.; Fehlner, T.P.; Long, G.J.","Structure and properties of H Fe3 (C O)9 B H3 R and the conjugate bases H Fe3 (C O)9 B H2 R (R= H and CH3). Inorganometallic analogues of hydrocarbyltriiron clusters","Journal of the American Chemical Society","1986","108","","3304","3310","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124471","16.587","","16.587","","7.087","","90","","90","","90","","1949.84","","","","","","","","","","","","","4","I -4","I -4","82","","Cs8.087 (Xe O3 Cl2.01)4 Cl0.247","","- Cl8.287 Cs8.087 O12 Xe4 -","- Cl8.287 Cs8.087 O12 Xe4 -","- Cl16.574 Cs16.174 O24 Xe8 -","2","0.25","","Willett, R.D.; Peterson, S.W.; Coyle, B.A.","Structural evidence for xenon-chlorine bonding. Neutron and X-Ray diffraction determinations of the structure of cesium and rubidium trioxodichloroxenate(VI) chloride, Cs9 (Xe O3 Cl2)4 Cl and Rb9 (Xe O3 Cl2)4 Cl","Journal of the American Chemical Society","1977","99","","8202","8207","","","","","","","","","","","","","","","","","","","","","","has coordinates","156248","2020-10-21","18:00:00",""
"4124472","15.97","","15.97","","6.91","","90","","90","","90","","1762.33","","","","","","","","","","","","","4","I -4","I -4","82","","Rb8.213 (Xe O3 Cl1.98)4 Cl0.253","","- Cl8.173 O10.8 Rb8.213 Xe4 -","- Cl8.173 O10.8 Rb8.213 Xe4 -","- Cl16.346 O21.6 Rb16.426 Xe8 -","2","0.25","","Willett, R.D.; Peterson, S.W.; Coyle, B.A.","Structural evidence for xenon-chlorine bonding. Neutron and X-Ray diffraction determinations of the structure of cesium and rubidium trioxodichloroxenate(VI) chloride, Cs9 (Xe O3 Cl2)4 Cl and Rb9 (Xe O3 Cl2)4 Cl","Journal of the American Chemical Society","1977","99","","8202","8207","","","","","","","","","","","","","","","","","","","","","","has coordinates","156249","2020-10-21","18:00:00",""
"4124473","16.429","","8.74","","13.237","","90","","94.32","","90","","1895.29","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","H Fe4 (B H2) (C O)12","","- C12 H3 B Fe4 O12 -","- C12 H3 B Fe4 O12 -","- C48 H12 B4 Fe16 O48 -","4","1","","Wong, K.W.; Scheidt, W.R.; Fehlner, T.P.","Preparation and characterization of H Fe4 (B H2) (C O)12 A hydrogenated iron boron cluster","Journal of the American Chemical Society","1982","104","","1111","1113","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124474","18.489","","13.909","","9.69","","90","","90","","90","","2491.91","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","K Zr6 Cl15 C","","- C Cl15 K Zr6 -","- C Cl15 K Zr6 -","- C4 Cl60 K4 Zr24 -","4","0.5","","Ziebarth, R.P.; Corbett, J.D.","Cation distributions within a cluster framework. Synthesis and structure of the carbon- and boron-centered zirconium cluster compounds K Zr6 C15 C and Cs K Zr6 Cl15 B","Journal of the American Chemical Society","1987","109","","4844","4850","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124475","16.372","","11.396","","14.071","","90","","92.74","","90","","2622.3","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","K3 Zr6 Cl15 Be","","- Be Cl15 K3 Zr6 -","- Be Cl15 K2.99 Zr6 -","- Be4 Cl60 K11.96 Zr24 -","4","0.5","","Ziebarth, R.P.; Corbett, J.D.","Cluster Framework Structures and Relationships. Two Compounds with a New Connectivity, K2 Zr6 Cl15 B and K3 Zr6 Cl15 Be","Journal of the American Chemical Society","1988","110","","1132","1139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124476","8.927","0.0014","17.389","0.002","28.757","0.004","90","","90","","90","","4464","1.1","100","","100","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C63 H48 -","- C63 H48 -","- C252 H192 -","4","1","","Chen, Qishui; Trinh, M. Tuan; Paley, Daniel W.; Preefer, Molleigh B.; Zhu, Haiming; Fowler, Brandon S.; Zhu, X.-Y.; Steigerwald, Michael L.; Nuckolls, Colin","Strain-Induced Stereoselective Formation of Blue-Emitting Cyclostilbenes.","Journal of the American Chemical Society","2015","137","38","12282","12288","10.1021/jacs.5b06258","","x-ray","1.54184","CuKα","","0.1532","0.1265","","","0.2675","0.2849","","","","","","1.04","","","","has coordinates,has disorder","160526","2020-10-21","18:00:00",""
"4124477","18.3098","0.0003","26.5227","0.0004","12.8182","0.0002","90","","109.301","0.002","90","","5874.98","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C100 H100 Cl24 Pt4 -","- C100 H100 Cl24 Pt4 -","- C200 H200 Cl48 Pt8 -","2","0.5","","Chen, Qishui; Trinh, M. Tuan; Paley, Daniel W.; Preefer, Molleigh B.; Zhu, Haiming; Fowler, Brandon S.; Zhu, X.-Y.; Steigerwald, Michael L.; Nuckolls, Colin","Strain-Induced Stereoselective Formation of Blue-Emitting Cyclostilbenes.","Journal of the American Chemical Society","2015","137","38","12282","12288","10.1021/jacs.5b06258","","x-ray","0.71073","MoKα","","0.042","0.0367","","","0.0824","0.0846","","","","","","1.089","","","","has coordinates,has disorder","160526","2020-10-21","18:00:00",""
"4124478","14.73721","0.00018","33.785","0.0003","9.62683","0.0001","90","","106.588","0.0012","90","","4593.69","0.09","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C57 H42 Cl2 -","- C57 H42 Cl2 -","- C228 H168 Cl8 -","4","1","","Chen, Qishui; Trinh, M. Tuan; Paley, Daniel W.; Preefer, Molleigh B.; Zhu, Haiming; Fowler, Brandon S.; Zhu, X.-Y.; Steigerwald, Michael L.; Nuckolls, Colin","Strain-Induced Stereoselective Formation of Blue-Emitting Cyclostilbenes.","Journal of the American Chemical Society","2015","137","38","12282","12288","10.1021/jacs.5b06258","","x-ray","1.54184","CuKα","","0.0676","0.0627","","","0.1574","0.1606","","","","","","1.137","","","","has coordinates,has disorder","160526","2020-10-21","18:00:00",""
"4124479","10.4134","","10.4134","","10.4134","","90","","90","","90","","1129.22","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","H (Nb W O6) (H2 O)","","- H3 Nb O7 W -","- Nb O7 W -","- Nb8 O56 W8 -","8","0.0416667","","Barnes, P.W.; Woodward, P.M.; Lee Yong-Jae; Vogt, T.; Hriljac, J.A.","Pressure-induced cation migration and volume expansion in the defect pyrochlores A Nb W O6 (A = (N H4)(+), Rb(+), H(+), K(+))","Journal of the American Chemical Society","2003","125","","4572","4579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124480","10.3736","","10.3736","","10.3736","","90","","90","","90","","1116.32","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Rb (Nb W O6)","","- Nb O6 Rb W -","- Nb O6 Rb W -","- Nb8 O48 Rb8 W8 -","8","0.0416667","","Barnes, P.W.; Woodward, P.M.; Lee Yong-Jae; Vogt, T.; Hriljac, J.A.","Pressure-induced cation migration and volume expansion in the defect pyrochlores A Nb W O6 (A = (N H4)(+), Rb(+), H(+), K(+))","Journal of the American Chemical Society","2003","125","","4572","4579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124481","10.522","","10.522","","10.522","","90","","90","","90","","1164.92","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Rb (Nb W O6) (H2 O)","","- H2 Nb O7 Rb W -","- Nb O7 Rb W -","- Nb8 O56 Rb8 W8 -","8","0.0416667","","Barnes, P.W.; Woodward, P.M.; Vogt, T.; Lee Yong-Jae; Hriljac, J.A.","Pressure-induced cation migration and volume expansion in the defect pyrochlores A Nb W O6 (A = (N H4)(+), Rb(+), H(+), K(+))","Journal of the American Chemical Society","2003","125","","4572","4579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124482","10.36","","10.36","","10.36","","90","","90","","90","","1111.94","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","(N H4) (Nb W O6)","","- H4 N Nb O6 W -","- N Nb O6 W -","- N8 Nb8 O48 W8 -","8","0.0416667","","Barnes, P.W.; Hriljac, J.A.; Lee Yong-Jae; Woodward, P.M.; Vogt, T.","Pressure-induced cation migration and volume expansion in the defect pyrochlores A Nb W O6 (A = (N H4)(+), Rb(+), H(+), K(+))","Journal of the American Chemical Society","2003","125","","4572","4579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124483","10.49","","10.49","","10.49","","90","","90","","90","","1154.32","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","(N H4) (Nb W O6) (H2 O)","","- H6 N Nb O7 W -","- N Nb O7 W -","- N8 Nb8 O56 W8 -","8","0.0416667","","Barnes, P.W.; Woodward, P.M.; Lee Yong-Jae; Hriljac, J.A.; Vogt, T.","Pressure-induced cation migration and volume expansion in the defect pyrochlores A Nb W O6 (A = (N H4)(+), Rb(+), H(+), K(+))","Journal of the American Chemical Society","2003","125","","4572","4579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124484","9","","9","","3.687","","90","","90","","120","","258.636","","","","","","","","","","","","","2","P -6 2 m","P -6 -2","189","","","","- Lu8 Te -","- Lu8 Te -","- Lu8 Te -","1","0.0833333","","Chen Ling; Corbett, J.D.","Lu8 Te and Lu7 Te. Novel substitutional derivatives of lutetium metal","Journal of the American Chemical Society","2003","125","","7794","7795","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124485","9.411","","20.822","","15.13","","90","","93.583","","90","","2959.02","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ba3 Co2 (C N)10 (H2 O)13","","- C10 H26 Ba3 Co2 N10 O13 -","- C10 H20 Ba3 Co2 N10 O13 -","- C40 H80 Ba12 Co8 N40 O52 -","4","0.5","","Brown, L.D.; Raymond, K.N.; Goldberg, S.Z.","Preparation and Structural Characterization of Barium Decacyanodicobaltate(II) Tridecahydrate, Ba3 (Co2 (C N)10) (H2 O)13, an Air-Stable Salt of the (Co2 (C N)10)(6-) Ion","Journal of the American Chemical Society","1972","94","","7664","7674","","","","","","","","","","","","","","","","","","","","","","has coordinates","156545","2020-10-21","18:00:00",""
"4124486","7.70736","","5.92871","","10.50584","","90","","90","","90","","480.061","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba2 (V O3 N)","","- Ba2 N O3 V -","- Ba2 N1.034 O2.966 V -","- Ba8 N4.136 O11.864 V4 -","4","0.5","","Clarke, S.J.; Puyet, M.; Chalker, P.R.; Holman, J.; Michie, C.W.; Rosseinsky, M.J.","A first transition series pseudotetrahedral oxynitride anion: synthesis and characterization of Ba2 V O3 N","Journal of the American Chemical Society","2002","124","","3337","3342","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124487","3.78709","","3.78709","","12.9561","","90","","90","","90","","185.817","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- La4 Li Mn O8 -","- La4 Li Mn O8 -","- La4 Li Mn O8 -","1","0.03125","","Burley, J.C.; Battle, P.D.; Gallon, D.J.; Sloan, J.; Grey, C.P.; Rosseinsky, M.J.","Magnetism and structural chemistry of the n=1 Ruddlesden-Popper phases La4 Li Mn O8 and La3 Sr Li Mn O8","Journal of the American Chemical Society","2002","124","","620","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124488","3.80292","","3.80292","","12.6881","","90","","90","","90","","183.498","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","La3 Sr Li Mn O8","","- La3 Li Mn O8 Sr -","- La3 Li Mn O8 Sr -","- La3 Li Mn O8 Sr -","1","0.03125","","Burley, J.C.; Battle, P.D.; Gallon, D.J.; Sloan, J.; Grey, C.P.; Rosseinsky, M.J.","Magnetism and structural chemistry of the n=1 Ruddlesden-Popper phases La4 Li Mn O8 and La3 Sr Li Mn O8","Journal of the American Chemical Society","2002","124","","620","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124489","25.1106","","12.4972","","12.8596","","90","","90","","90","","4035.5","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","Si O2","","- O2 Si -","- O2 Si -","- O148 Si74 -","74","9.25","","Burton, A.; Medrud, R.C.; Elomari, S.; Chen Congyan; Chan, I.Y.; Vittoratos, E.S.; Bull, L.M.","The synthesis, characterization and structure solution of SSZ-58: a novel two-dimensional 10-ring pore zeolite with previously unseen double 5-ring subunit","Journal of the American Chemical Society","2003","125","","1633","1642","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124490","18.19","","10.406","","14.86","","90","","144.78","","90","","1622.18","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Na2.04 Cs1.068 C70","","- C70 Cs1.068 Na2.04 -","- C70 Cs1.068 Na2.04 -","- C140 Cs2.136 Na4.08 -","2","0.25","","Denning, M.S.; Watts, I.D.; Rosseinsky, M.J.; Moussa, S.M.; Durand, P.; Tanigaki, K.","Close-packed C70(3-) phases - synthesis, structure and electronic properties","Journal of the American Chemical Society","2002","124","","5570","5580","","","","","","","","","","","","","","","","","","","","","","has coordinates","156665","2020-10-21","18:00:00",""
"4124491","14.804","","14.804","","14.804","","90","","90","","90","","3244.42","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Na2.24 Cs1.09 C70","","- C70 Cs1.09 Na2.24 -","- C70 Cs1.09 Na2.24 -","- C280 Cs4.36 Na8.96 -","4","0.0208333","","Denning, M.S.; Moussa, S.M.; Watts, I.D.; Rosseinsky, M.J.; Durand, P.; Tanigaki, K.","Close-packed C70(3-) phases - synthesis, structure and electronic properties","Journal of the American Chemical Society","2002","124","","5570","5580","","","","","","","","","","","","","","","","","","","","","","has coordinates","156667","2020-10-21","18:00:00",""
"4124492","10.32","","10.32","","26.11","","90","","90","","120","","2408.22","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Na2.24 Cs1.09 C70","","- C70 Cs1.09 Na2.24 -","- C70 Cs1.09 Na2.24 -","- C210 Cs3.27 Na6.72 -","3","0.0833333","","Denning, M.S.; Rosseinsky, M.J.; Watts, I.D.; Durand, P.; Moussa, S.M.; Tanigaki, K.","Close-packed C70(3-) phases - synthesis, structure and electronic properties","Journal of the American Chemical Society","2002","124","","5570","5580","","","","","","","","","","","","","","","","","","","","","","has coordinates","156669","2020-10-21","18:00:00",""
"4124493","14.983","","14.983","","14.983","","90","","90","","90","","3363.54","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Na1.68 Cs0.886 C70","","- C70 Cs0.886 Na1.68 -","- C70 Cs0.886 Na1.68 -","- C280 Cs3.544 Na6.72 -","4","0.0208333","","Denning, M.S.; Moussa, S.M.; Watts, I.D.; Durand, P.; Tanigaki, K.; Rosseinsky, M.J.","Close-packed C70(3-) phases - synthesis, structure and electronic properties","Journal of the American Chemical Society","2002","124","","5570","5580","","","","","","","","","","","","","","","","","","","","","","has coordinates","156671","2020-10-21","18:00:00",""
"4124494","10.443","","10.443","","25.706","","90","","90","","120","","2427.82","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Na1.08 Cs0.883 C70","","- C70 Cs0.883 Na1.08 -","- C70 Cs0.883 Na1.08 -","- C210 Cs2.649 Na3.24 -","3","0.0833333","","Denning, M.S.; Watts, I.D.; Rosseinsky, M.J.; Moussa, S.M.; Tanigaki, K.; Durand, P.","Close-packed C70(3-) phases - synthesis, structure and electronic properties","Journal of the American Chemical Society","2002","124","","5570","5580","","","","","","","","","","","","","","","","","","","","","","has coordinates","156673","2020-10-21","18:00:00",""
"4124495","15.2342","","15.2342","","15.2342","","90","","90","","90","","3535.57","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","K2 Cs C70","","- C70 Cs K2 -","- C70 Cs1.022 K2.08 -","- C280 Cs4.088 K8.32 -","4","0.0208333","","Denning, M.S.; Moussa, S.M.; Watts, I.D.; Durand, P.; Rosseinsky, M.J.; Tanigaki, K.","Close-packed C70(3-) phases - synthesis, structure and electronic properties","Journal of the American Chemical Society","2002","124","","5570","5580","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124496","3.7418","","12.278","","19.77","","90","","90","","90","","908.27","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Lu7 Te -","- Lu7 Te -","- Lu28 Te4 -","4","0.25","","Chen Ling; Corbett, J.D.","Lu8 Te and Lu7 Te. Novel substitutional derivatives of lutetium metal","Journal of the American Chemical Society","2003","125","","7794","7795","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124497","15.62","","7.81","","12.932","","90","","90","","90","","1577.6","","","","","","","","","","","","","3","P 1","P 1","1","","(Sr (Ti O3)) (Ti O2)","","- O5 Sr Ti2 -","- O5 Sr Ti2 -","- O40 Sr8 Ti16 -","8","8","","Erdman, N.; Warschkow, O.; Asta, M.; Ellis, D.E.; Poeppelmeier, K.R.; Marks, L.D.","Surface structures of Sr Ti O3 (001): A (Ti O2)-rich reconstruction with a c(4 X 2) unit cell","Journal of the American Chemical Society","2003","125","","10050","10056","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124498","15.62","","7.81","","12.932","","90","","90","","90","","1577.6","","","","","","","","","","","","","2","P 1","P 1","1","","Ti O2","","- O2 Ti -","- O2 Ti -","- O16 Ti8 -","8","8","","Erdman, N.; Asta, M.; Warschkow, O.; Ellis, D.E.; Poeppelmeier, K.R.; Marks, L.D.","Surface structures of Sr Ti O3 (001): A (Ti O2)-rich reconstruction with a c(4 X 2) unit cell","Journal of the American Chemical Society","2003","125","","10050","10056","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124499","9.157","","16.866","","9.538","","90","","90.61","","90","","1472.98","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K3 Pu (P S4)2","","- K3 P2 Pu S8 -","- K3 P2 Pu S8 -","- K12 P8 Pu4 S32 -","4","1","","Hess, R.F.; Gordon, P.L.; Tait, C.D.; Dorhout, P.K.; Abney, K.D.","Synthesis and structural characterization of the first quaternary plutonium thiophosphates : K3 Pu (P S4)2 and A Pu P2 S7 (A = K, Rb,Cs)","Journal of the American Chemical Society","2002","124","","1327","1333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124500","9.641","","12.255","","9.0152","","90","","90.218","","90","","1065.14","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K Pu (P2 S7)","","- K P2 Pu S7 -","- K P2 Pu S7 -","- K4 P8 Pu4 S28 -","4","1","","Hess, R.F.; Gordon, P.L.; Tait, C.D.; Dorhout, P.K.; Abney, K.D.","Synthesis and structural characterization of the first quaternary plutonium thiophosphates : K3 Pu (P S4)2 and A Pu P2 S7 (A = K, Rb,Cs)","Journal of the American Chemical Society","2002","124","","1327","1333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124501","9.8011","","12.3977","","9.0263","","90","","90.564","","90","","1096.74","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Rb Pu (P2 S7)","","- P2 Pu Rb S7 -","- P2 Pu Rb S7 -","- P8 Pu4 Rb4 S28 -","4","1","","Hess, R.F.; Gordon, P.L.; Tait, C.D.; Abney, K.D.; Dorhout, P.K.","Synthesis and structural characterization of the first quaternary plutonium thiophosphates : K3 Pu (P S4)2 and A Pu P2 S7 (A = K, Rb,Cs)","Journal of the American Chemical Society","2002","124","","1327","1333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124502","10.1034","","12.5412","","9.0306","","90","","91.007","","90","","1144.08","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cs Pu (P2 S7)","","- Cs P2 Pu S7 -","- Cs P2 Pu S7 -","- Cs4 P8 Pu4 S28 -","4","1","","Hess, R.F.; Gordon, P.L.; Tait, C.D.; Abney, K.D.; Dorhout, P.K.","Synthesis and structural characterization of the first quaternary plutonium thiophosphates : K3 Pu (P S4)2 and A Pu P2 S7 (A = K, Rb,Cs)","Journal of the American Chemical Society","2002","124","","1327","1333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124503","18.226","","18.583","","6.579","","90","","90","","90","","2228.27","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","Na16 (Al16 Si24 O80) (H2 O)16","","- Al16 H32 Na16 O96 Si24 -","- Al16 Na16 O96 Si24 -","- Al16 Na16 O96 Si24 -","1","0.0625","","Lee, Y.; Vogt, T.; Parise, J.B.; Hriljac, J.A.; Artioli, G.","Pressure-induced volume expansion of zeolites in the natrolite family","Journal of the American Chemical Society","2002","124","","5466","5475","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124504","18.39","","18.829","","6.547","","90","","90","","90","","2267","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","Na16 (Al16 Si24 O80) (H2 O)32","","- Al16 H64 Na16 O112 Si24 -","- Al16 Na16 O112 Si24 -","- Al16 Na16 O112 Si24 -","1","0.0625","","Lee, Y.; Vogt, T.; Hriljac, J.A.; Parise, J.B.; Artioli, G.","Pressure-induced volume expansion of zeolites in the natrolite family","Journal of the American Chemical Society","2002","124","","5466","5475","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124505","17.924","","18.325","","6.487","","90","","90","","90","","2130.7","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","Na16 (Al16 Si24 O80) (H2 O)32","","- Al16 H64 Na16 O112 Si24 -","- Al16 Na16 O112 Si24 -","- Al16 Na16 O112 Si24 -","1","0.0625","","Lee, Y.; Vogt, T.; Hriljac, J.A.; Parise, J.B.; Artioli, G.","Pressure-induced volume expansion of zeolites in the natrolite family","Journal of the American Chemical Society","2002","124","","5466","5475","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124506","14.3358","","14.3358","","14.3358","","90","","90","","90","","2946.22","","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","(N D3)0.97 (Na0.98 K0.85 Rb C60)","","- C60 D2.91 K0.85 N0.97 Na0.98 Rb -","- C60 D2.904 K0.852 N0.968 Na0.985 Rb0.997 -","- C240 D11.616 K3.408 N3.872 Na3.94 Rb3.988 -","4","0.0208333","","Margadonna, S.; Prassides, K.; Aslanis, E.","Ammoniated alkali fullerides (N D3)x Na A2 C60: ammonia specific effects and superconductivity","Journal of the American Chemical Society","2002","124","","10146","10156","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124507","14.42598","","14.42598","","14.42598","","90","","90","","90","","3002.18","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","(N D3)0.86 (Na0.93 Rb1.83 C60)","","- C60 D2.58 N0.86 Na0.93 Rb1.83 -","- C60 D2.568 N0.856 Na0.928 Rb1.835 -","- C240 D10.272 N3.424 Na3.712 Rb7.34 -","4","0.0208333","","Margadonna, S.; Prassides, K.; Aslanis, E.","Ammoniated alkali fullerides (N D3)x Na A2 C60: ammonia specific effects and superconductivity","Journal of the American Chemical Society","2002","124","","10146","10156","","","","","","","","","","","","","","","","","","","","","","has coordinates","157292","2020-10-21","18:00:00",""
"4124508","14.3879","","14.3879","","14.3879","","90","","90","","90","","2978.46","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","(N D3)0.79 (Na Rb2 C60)","","- C60 D2.37 N0.79 Na Rb2 -","- C60 N0.792 Na1.016 Rb2.015 -","- C240 N3.168 Na4.064 Rb8.06 -","4","0.0208333","","Margadonna, S.; Aslanis, E.; Prassides, K.","Ammoniated alkali fullerides (N D3)x Na A2 C60: ammonia specific effects and superconductivity","Journal of the American Chemical Society","2002","124","","10146","10156","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124509","10.9292","","10.9292","","10.9292","","90","","90","","90","","1305.46","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","Eu6 C60","","- C60 Eu6 -","- C60 Eu6 -","- C120 Eu12 -","2","0.0416667","","Margiolaki, I.; Margadonna, S.; Prassides, K.; Suematsu, H.; Hansen, T.; Ishii, K.","Magnetic structure of the europium fulleride ferromagnet Eu6 C60","Journal of the American Chemical Society","2002","124","","11288","11289","","","","","","","","","","","","","","","","","","","","","","has coordinates","157297","2020-10-21","18:00:00",""
"4124510","9.7599","","12.3967","","7.6091","","90","","90","","90","","920.629","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Cs2 Cu Cl4","","- Cl4 Cs2 Cu -","- Cl4 Cs2 Cu -","- Cl16 Cs8 Cu4 -","4","0.5","","McGinnety, J.A.","Cesium Tetrachlorocuprate. Structure, Crystal Forces, and Charge Distribution","Journal of the American Chemical Society","1972","94","","8406","8413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124511","11.498","","3.545","","4.345","","90","","90","","90","","177.104","","","","","","","","","","","","","2","P m m n :1","P 2 2ab -1ab","59","","V2 O5","","- O5 V2 -","- O5 V2 -","- O10 V4 -","2","0.25","","Petkov, V.; Trikalitis, P.N.; Bozin, E.S.; Billinge, S.J.L.; Vogt, T.; Kanatzidis, M.G.","Structure of V2 O5 * n(H2 O) xerogel solved by the atomic pair distribution function technique","Journal of the American Chemical Society","2002","124","","10157","10162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124512","11.722","","3.57","","11.52","","90","","88.65","","90","","481.95","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","V2 O5 (H2 O)","","- H2 O6 V2 -","- O6 V2 -","- O24 V8 -","4","0.5","","Petkov, V.; Trikalitis, P.N.; Bozin, E.S.; Kanatzidis, M.G.; Billinge, S.J.L.; Vogt, T.","Structure of V2 O5 * n(H2 O) xerogel solved by the atomic pair distribution function technique","Journal of the American Chemical Society","2002","124","","10157","10162","","","","","","","","","","","","","","","","","","","","","","has coordinates","157568","2020-10-21","18:00:00",""
"4124513","17.154","","5.6891","","9.8627","","90","","125","","90","","788.441","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sr3 Ca (Ru2 O9)","","- Ca O9 Ru2 Sr3 -","- Ca O9 Ru2 Sr3 -","- Ca4 O36 Ru8 Sr12 -","4","1","","Rijssenbeek, J.T.; Malo, S.; Caignaert, V.; Poeppelmeier, K.R.","Site and oxidation-state specificity yielding dimensional control in perovskite ruthenates","Journal of the American Chemical Society","2002","124","","2090","2091","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124514","3.611","","3.611","","12.818","","90","","90","","120","","144.746","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Zr2 N2 S","","- N2 S Zr2 -","- N2 S Zr2 -","- N4 S2 Zr4 -","2","0.0833333","","Stoltz, C.; Sirchio, S.A.; Ramesha, K.; Gonen, Z.S.; Eichhorn, B.W.; Salamanca-Riba, L.; Gopalakrishnan, J.","Topochemical anion metathesis routes to the Zr2 N2 S phases and the Na2 S and A Cl derivatives (A = Na, K, Rb)","Journal of the American Chemical Society","2003","125","","4285","4292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124515","3.637","","3.637","","29.49","","90","","90","","120","","337.825","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Na0.95 Zr2 N2 S1.836","","- N2 Na0.95 S1.836 Zr2 -","- N2 Na0.95 S1.836 Zr2 -","- N6 Na2.85 S5.508 Zr6 -","3","0.0833333","","Stoltz, C.; Sirchio, S.A.; Ramesha, K.; Gonen, Z.S.; Eichhorn, B.W.; Salamanca-Riba, L.; Gopalakrishnan, J.","Topochemical anion metathesis routes to the Zr2 N2 S phases and the Na2 S and A Cl derivatives (A = Na, K, Rb)","Journal of the American Chemical Society","2003","125","","4285","4292","","","","","","","","","","","","","","","","","","","","","","has coordinates","157800","2020-10-21","18:00:00",""
"4124516","14.926","","10.13","","10.95","","90","","96.111","","90","","1646.24","","","","","","","","","","","","","2","P 1","P 1","1","","Eu2.73 C70","","- C70 Eu2.73 -","- C70 Eu2.731 -","- C140 Eu5.462 -","2","2","","Takenobu, T.; Chi, D.H.; Kato, K.-I.; Prassides, K.; Margadonna, S.; Fitch, A.N.; Kubozono, Y.; Iwasa, Y.","Synthesis, structure and magnetic properties of the fullerene-based ferromagnets Eu3 C70 and Eu9 C70","Journal of the American Chemical Society","2003","125","","1897","1904","","","","","","","","","","","","","","","","","","","","","","has coordinates","157842","2020-10-21","18:00:00",""
"4124517","15.0572","","15.0572","","15.0572","","90","","90","","90","","3413.76","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Eu8.74 C70","","- C70 Eu8.74 -","- C70 Eu8.74 -","- C280 Eu34.96 -","4","0.0208333","","Takenobu, T.; Chi, D.H.; Prassides, K.; Margadonna, S.; Kubozono, Y.; Fitch, A.N.; Kato, K.-I.; Iwasa, Y.","Synthesis, structure and magnetic properties of the fullerene-based ferromagnets Eu3 C70 and Eu9 C70","Journal of the American Chemical Society","2003","125","","1897","1904","","","","","","","","","","","","","","","","","","","","","","has coordinates","157845","2020-10-21","18:00:00",""
"4124518","3.7919","","3.7919","","9.4973","","90","","90","","90","","136.557","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Li0.026 Ti O2","","- Li0.026 O2 Ti -","- Li0.026 O2 Ti -","- Li0.104 O8 Ti4 -","4","0.125","","Wagemaker, M.; van Well, A.A.; Kearley, G.J.; Mutka, H.; Mulder, F.M.","Multiple Li positions inside oxygen octahedra in lithiated Ti O2 anatase","Journal of the American Chemical Society","2003","125","","840","848","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124519","3.8186","","4.0842","","9.0656","","90","","90","","90","","141.386","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Li0.51 Ti O2","","- Li0.51 O2 Ti -","- Li0.51 O2 Ti -","- Li2.04 O8 Ti4 -","4","0.25","","Wagemaker, M.; Kearley, G.J.; van Well, A.A.; Mutka, H.; Mulder, F.M.","Multiple Li positions inside oxygen octahedra in lithiated Ti O2 anatase","Journal of the American Chemical Society","2003","125","","840","848","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124520","3.8141","","4.0771","","9.042","","90","","90","","90","","140.607","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Li0.59 Ti O2","","- Li0.59 O2 Ti -","- Li0.59 O2 Ti -","- Li2.36 O8 Ti4 -","4","0.25","","Wagemaker, M.; Kearley, G.J.; van Well, A.A.; Mutka, H.; Mulder, F.M.","Multiple Li positions inside oxygen octahedra in lithiated Ti O2 anatase","Journal of the American Chemical Society","2003","125","","840","848","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124521","9.414","","20.831","","15.126","","90","","93.457","","90","","2960.86","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ba3 Co2 (C N)10 (H2 O)13","","- C10 H26 Ba3 Co2 N10 O13 -","- C10 Ba3 Co2 N10 O13 -","- C40 Ba12 Co8 N40 O52 -","4","0.5","","Simon, G.L.; Adamson, A.W.; Dahl, L.F.","Preparation and Structure of Barium Decacyanodicobaltate (II) Tridecahydrate, Ba3 (Co2 (C N)10) (H2 O)13. stereochemical analysis of the metal-metal bonded (Co2 (C N)10) dimer","Journal of the American Chemical Society","1972","94","","7654","7663","","","","","","","","","","","","","","","","","","","","","","has coordinates","157966","2020-10-21","18:00:00",""
"4124522","3.605","","3.605","","6.412","","90","","90","","120","","72.166","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Zr2 N2 S","","- N2 S Zr2 -","- N2 S Zr2 -","- N2 S Zr2 -","1","0.0833333","","Stoltz, C.; Ramesha, K.; Sirchio, S.A.; Gonen, Z.S.; Eichhorn, B.W.; Salamanca-Riba, L.; Gopalakrishnan, J.","Topochemical anion metathesis routes to the Zr2 N2 S phases and the Na2 S and A Cl derivatives (A = Na, K, Rb)","Journal of the American Chemical Society","2003","125","","4285","4292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124523","8.6056","","8.5917","","12.037","","90","","90.609","","90","","889.926","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Li3 V2 (P O4)3","","- Li3 O12 P3 V2 -","- Li3 O12 P3 V2 -","- Li12 O48 P12 V8 -","4","1","","Yin, S.-C.; Nazar, L.F.; Grondey, H.; Anne, M.; Strobel, P.","Electrochemical property: structure relationships in monoclinic Li3-y V2 (P O4)3","Journal of the American Chemical Society","2003","125","","10402","10411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124524","8.3006","","8.5176","","11.6526","","90","","89.605","","90","","823.833","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Li V2 (P O4)3","","- Li O12 P3 V2 -","- Li O12 P3 V2 -","- Li4 O48 P12 V8 -","4","1","","Yin, S.-C.; Grondey, H.; Strobel, P.; Nazar, L.F.; Anne, M.","Electrochemical property: structure relationships in monoclinic Li3-y V2 (P O4)3","Journal of the American Chemical Society","2003","125","","10402","10411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124525","8.4067","","8.5152","","11.5903","","90","","89.129","","90","","829.593","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","V2 (P O4)3","","- O12 P3 V2 -","- O12 P3 V2 -","- O48 P12 V8 -","4","1","","Yin, S.-C.; Grondey, H.; Anne, M.; Strobel, P.; Nazar, L.F.","Electrochemical property: structure relationships in monoclinic Li3-y V2 (P O4)3","Journal of the American Chemical Society","2003","125","","10402","10411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124526","8.309","","8.5854","","11.3875","","90","","89.312","","90","","812.281","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Li0.89 V2 (P O4)3","","- Li0.89 O12 P3 V2 -","- Li0.89 O12 P3 V2 -","- Li3.56 O48 P12 V8 -","4","1","","Yin, S.-C.; Strobel, P.; Grondey, H.; Anne, M.; Nazar, L.F.","Electrochemical property: structure relationships in monoclinic Li3-y V2 (P O4)3","Journal of the American Chemical Society","2003","125","","10402","10411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124527","16.8815","0.0005","16.8815","0.0005","16.8815","0.0005","90","","90","","90","","4811","0.2","110","","110","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C14 H24 N6 O2 Zn -","- C8 H10 N4 Zn -","- C96 H120 N48 Zn12 -","12","0.25","","Kwon, Hyuk Taek; Jeong, Hae-Kwon; Lee, Albert S.; An, He Seong; Lee, Jong Suk","Heteroepitaxially Grown Zeolitic Imidazolate Framework Membranes with Unprecedented Propylene/Propane Separation Performances.","Journal of the American Chemical Society","2015","137","38","12304","12311","10.1021/jacs.5b06730","","","0.71073","MoKα","","0.0244","0.0219","","","0.0515","0.0529","","","","","","1.094","","","","has coordinates,has disorder","160525","2020-10-21","18:00:00",""
"4124528","16.9077","0.0007","16.9077","0.0007","16.9077","0.0007","90","","90","","90","","4833.4","0.3","110","2","110","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C4 H4 Co N O2 -","- C2.66667 H3.33333 Co0.333333 N1.33333 -","- C96 H120 Co12 N48 -","36","0.75","","Kwon, Hyuk Taek; Jeong, Hae-Kwon; Lee, Albert S.; An, He Seong; Lee, Jong Suk","Heteroepitaxially Grown Zeolitic Imidazolate Framework Membranes with Unprecedented Propylene/Propane Separation Performances.","Journal of the American Chemical Society","2015","137","38","12304","12311","10.1021/jacs.5b06730","","","0.71073","MoKα","","0.0387","0.0259","","","0.0552","0.0599","","","","","","1.015","","","","has coordinates,has disorder","160525","2020-10-21","18:00:00",""
"4124529","10.142","0.002","10.2709","0.0018","10.7349","0.0019","65.643","0.01","77.088","0.01","80.17","0.012","989","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H11 N3 O6 Zn -","- C18 H11 N3 O6 Zn -","- C36 H22 N6 O12 Zn2 -","2","1","","Inukai, Munehiro; Fukushima, Tomohiro; Hijikata, Yuh; Ogiwara, Naoki; Horike, Satoshi; Kitagawa, Susumu","Control of Molecular Rotor Rotational Frequencies in Porous Coordination Polymers Using a Solid-Solution Approach.","Journal of the American Chemical Society","2015","137","38","12183","12186","10.1021/jacs.5b05413","","","0.71075","MoKα","","0.166","0.0988","","","0.2699","0.3141","","","","","","1.035","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124530","10.0741","0.0018","10.325","0.0019","10.5271","0.0017","66.229","0.009","75.083","0.011","76.771","0.011","958.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N2 O5 Zn -","- C19 H14 N2 O5 Zn -","- C38 H28 N4 O10 Zn2 -","2","1","","Inukai, Munehiro; Fukushima, Tomohiro; Hijikata, Yuh; Ogiwara, Naoki; Horike, Satoshi; Kitagawa, Susumu","Control of Molecular Rotor Rotational Frequencies in Porous Coordination Polymers Using a Solid-Solution Approach.","Journal of the American Chemical Society","2015","137","38","12183","12186","10.1021/jacs.5b05413","","","0.71075","MoKα","","0.1366","0.0823","","","0.2536","0.2828","","","","","","1.106","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124531","13.533","","17.925","","17.651","","90","","90","","90","","4281.76","","","","","","","","","","","","","2","F m m m","-F 2 2","69","","Si72 O144","","- O144 Si72 -","- O144 Si72 -","- O144 Si72 -","1","0.03125","","Hong Suk Bong; Wright, P.A.; Lear, E.G.; Zhou Wuzong; Nam In-Sik; Cox, P.A.; Park Joo-Hyoung; Shin Chaeho","Synthesis, structure solution, characterization and catalytic properties of TNU-10: a high-silica zeolite with the STI topology","Journal of the American Chemical Society","2004","126","","5817","5826","","","","","","","","","","","","","","","","","","","","","","has coordinates","158450","2020-10-21","18:00:00",""
"4124532","3.80002","","3.80002","","22.6396","","90","","90","","90","","326.919","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Li0.3 Y2 Ti2 O5 S2","","- Li0.3 O5 S2 Ti2 Y2 -","- Li0.3 O5 S2 Ti2 Y2 -","- Li0.6 O10 S4 Ti4 Y4 -","2","0.0625","","Hyett, G.; Hayward, M.A.; Gal, Z.A.; Denis, S.G.; Rutt, O.J.; Clarke, S.J.","Electronically driven structural distortions in lithium intercalates of the n=2 Ruddlesden-Popper-type host Y2 Ti2 O5 S2: synthesis, structure and properties of Lix Y2 Ti2 O5 S2 (0< x<2)","Journal of the American Chemical Society","2004","126","","1980","1991","","","","","","","","","","","","","","","","","","","","","","has coordinates","158498","2020-10-21","18:00:00",""
"4124533","3.83189","","3.91881","","22.3007","","90","","90","","90","","334.877","","","","","","","","","","","","","5","I m m m","-I 2 2","71","","Li1.00 Y2 Ti2 O5 S2","","- Li O5 S2 Ti2 Y2 -","- Li1.002 O5 S2 Ti2 Y2 -","- Li2.004 O10 S4 Ti4 Y4 -","2","0.125","","Hyett, G.; Clarke, S.J.; Rutt, O.J.; Gal, Z.A.; Denis, S.G.; Hayward, M.A.","Electronically driven structural distortions in lithium intercalates of the n=2 Ruddlesden-Popper-type host Y2 Ti2 O5 S2: synthesis, structure and properties of Lix Y2 Ti2 O5 S2 (0 < x <2)","Journal of the American Chemical Society","2004","126","","1980","1991","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124534","3.91831","","3.91831","","22.0652","","90","","90","","90","","338.77","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Li1.56 Y2 Ti2 O5 S2","","- Li1.56 O5 S2 Ti2 Y2 -","- Li1.56 O5 S2 Ti2 Y2 -","- Li3.12 O10 S4 Ti4 Y4 -","2","0.0625","","Hyett, G.; Denis, S.G.; Gal, Z.A.; Rutt, O.J.; Hayward, M.A.; Clarke, S.J.","Electronically driven structural distortions in lithium intercalates of the n=2 Ruddlesden-Popper-type host Y2 Ti2 O5 S2: synthesis, structure and properties of Lix Y2 Ti2 O5 S2 (0 < x <2)","Journal of the American Chemical Society","2004","126","","1980","1991","","","","","","","","","","","","","","","","","","","","","","has coordinates","158501","2020-10-21","18:00:00",""
"4124535","3.9426","","3.9426","","21.9578","","90","","90","","90","","341.314","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Li1.96 Y2 Ti2 O5 S2","","- Li1.96 O5 S2 Ti2 Y2 -","- Li1.96 O5 S2 Ti2 Y2 -","- Li3.92 O10 S4 Ti4 Y4 -","2","0.0625","","Hyett, G.; Gal, Z.A.; Rutt, O.J.; Hayward, M.A.; Denis, S.G.; Clarke, S.J.","Electronically driven structural distortions in lithium intercalates of the n=2 Ruddlesden-Popper-type host Y2 Ti2 O5 S2: synthesis, structure and properties of Lix Y2 Ti2 O5 S2 (0 < x <2)","Journal of the American Chemical Society","2004","126","","1980","1991","","","","","","","","","","","","","","","","","","","","","","has coordinates","158503","2020-10-21","18:00:00",""
"4124536","3.8359","","3.8359","","22.4566","","90","","90","","90","","330.429","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Li0.46 Y2 Ti2 O5 S2","","- Li0.46 O5 S2 Ti2 Y2 -","- Li0.46 O5 S2 Ti2 Y2 -","- Li0.92 O10 S4 Ti4 Y4 -","2","0.0625","","Hyett, G.; Rutt, O.J.; Gal, Z.A.; Hayward, M.A.; Denis, S.G.; Clarke, S.J.","Electronically driven structural distortions in lithium intercalates of the n=2 Ruddlesden-Popper-type host Y2 Ti2 O5 S2: synthesis, structure and properties of Lix Y2 Ti2 O5 S2 (0 < x <2)","Journal of the American Chemical Society","2004","126","","1980","1991","","","","","","","","","","","","","","","","","","","","","","has coordinates","158505","2020-10-21","18:00:00",""
"4124537","3.8189","","3.8542","","22.468","","90","","90","","90","","330.702","","","","","","","","","","","","","5","I m m m","-I 2 2","71","","Li1.04 Y2 Ti2 O5 S2","","- Li1.04 O5 S2 Ti2 Y2 -","- Li1.04 O5 S2 Ti2 Y2 -","- Li2.08 O10 S4 Ti4 Y4 -","2","0.125","","Hyett, G.; Rutt, O.J.; Gal, Z.A.; Denis, S.G.; Hayward, M.A.; Clarke, S.J.","Electronically driven structural distortions in lithium intercalates of the n=2 Ruddlesden-Popper-type host Y2 Ti2 O5 S2: synthesis, structure and properties of Lix Y2 Ti2 O5 S2 (0 < x <2)","Journal of the American Chemical Society","2004","126","","1980","1991","","","","","","","","","","","","","","","","","","","","","","has coordinates","158507","2020-10-21","18:00:00",""
"4124538","5.43835","","7.66195","","5.38201","","90","","90","","90","","224.26","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na (Sb O3)","","- Na O3 Sb -","- Na O3 Sb -","- Na4 O12 Sb4 -","4","0.5","","Mizoguchi, H.; Woodward, P.M.; Byeon Song-Ho; Parise, J.B.","Polymorphism in Na Sb O3: structure and bonding in metal oxides","Journal of the American Chemical Society","2004","126","","3175","3184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124539","9.868","0.004","10.525","0.004","11.993","0.005","80.076","0.007","74.657","0.007","76.182","0.007","1158.5","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H50 Mn2 N8 O13 S2 -","- C38 H44 Mn2 N8 O13 S2 -","- C38 H44 Mn2 N8 O13 S2 -","1","0.5","","Beckwith, Martha A.; Ames, William; Vila, Fernando D.; Krewald, Vera; Pantazis, Dimitrios A.; Mantel, Claire; Pécaut, Jacques; Gennari, Marcello; Duboc, Carole; Collomb, Marie-Noëlle; Yano, Junko; Rehr, John J.; Neese, Frank; DeBeer, Serena","How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2015","137","40","12815","12834","10.1021/jacs.5b00783","","","0.71073","MoKα","","0.1035","0.0727","","","0.185","0.1986","","","","","","0.949","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124540","5.4353","","7.6942","","5.4366","","90","","90","","90","","227.36","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","La0.606 Li0.183 (Ti O3)","","- La0.606 Li0.183 O3 Ti -","- La0.606 O3 Ti -","- La2.424 O12 Ti4 -","4","0.5","","Garcia-Martin, S.; Alario-Franco, M.A.; Ehrenberg, H.; Rodriguez-Carvajal, J.; Amador, U.","Crystal structure and microstructure of some La2/3-x Li3x Ti O3 oxides: an example of the complementary use of electron diffraction and microscopy and synchrotron X-ray diffraction to study complex materials","Journal of the American Chemical Society","2004","126","","3587","3596","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124541","5.4276","","7.6947","","5.4126","","90","","90","","90","","226.05","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","La0.58 Li0.27 (Ti O3)","","- La0.58 O3 Ti -","- La0.58 O3 Ti -","- La2.32 O12 Ti4 -","4","0.5","","Garcia-Martin, S.; Alario-Franco, M.A.; Rodriguez-Carvajal, J.; Ehrenberg, H.; Amador, U.","Crystal structure and microstructure of some La2/3-x Li3x Ti O3 oxides: an example of the complementary use of electron diffraction and microscopy and synchrotron X-ray diffraction to study complex materials","Journal of the American Chemical Society","2004","126","","3587","3596","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124542","5.4311","","5.4279","","7.7216","","90","","90","","90.157","","227.628","","","","","","","","","","","","","4","P 1 1 2/m","-P 2","10","","La0.62 Li0.18 (Ti O3)","","- La0.62 Li0.18 O3 Ti -","- La0.62 Li0.18 O3 Ti -","- La2.48 Li0.72 O12 Ti4 -","4","1","","Garcia-Martin, S.; Alario-Franco, M.A.; Amador, U.; Ehrenberg, H.; Rodriguez-Carvajal, J.","Crystal structure and microstructure of some La2/3-x Li3x Ti O3 oxides: an example of the complementary use of electron diffraction and microscopy and synchrotron X-ray diffraction to study complex materials","Journal of the American Chemical Society","2004","126","","3587","3596","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124543","12.5099","0.0002","23.857","0.0004","24.368","0.0017","92.443","0.007","98.669","0.007","100.918","0.007","7040.4","0.6","85","","85","","","","","","","","","7","P -1","-P 1","2","","","","- C81 H79 K N5 O8 P2 Ru -","- C81 H79 K N5 O8 P2 Ru -","- C324 H316 K4 N20 O32 P8 Ru4 -","4","2","","Geri, Jacob B.; Szymczak, Nathaniel K.","A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration.","Journal of the American Chemical Society","2015","137","40","12808","12814","10.1021/jacs.5b08406","","","1.54187","CuKα","","0.0669","0.0584","","","0.1744","0.1818","","","","","","1.181","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4124544","35.8458","0.0007","35.8458","0.0007","23.382","0.0016","90","","90","","120","","26018.9","1.9","85","","85","","","","","","","","","7","R -3","-R 3","148","","","","- C56 H42 F3 N5 O4 P2 Ru -","- C56 H42 F3 N5 O4 P2 Ru -","- C1008 H756 F54 N90 O72 P36 Ru18 -","18","","","Geri, Jacob B.; Szymczak, Nathaniel K.","A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration.","Journal of the American Chemical Society","2015","137","40","12808","12814","10.1021/jacs.5b08406","","","1.54187","CuKα","","0.0493","0.048","","","0.1712","0.1754","","","","","","0.84","","","","has coordinates","170077","2020-10-21","18:00:00",""
"4124545","11.5513","0.0002","26.1563","0.0005","19.7946","0.0014","90","","103.361","0.007","90","","5818.8","0.5","85","","85","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C239 H186 Cl14 F24 N20 O24 P8 Ru4 -","- C239 H186 Cl14 F24 N20 O24 P8 Ru4 -","- C239 H186 Cl14 F24 N20 O24 P8 Ru4 -","1","0.25","","Geri, Jacob B.; Szymczak, Nathaniel K.","A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration.","Journal of the American Chemical Society","2015","137","40","12808","12814","10.1021/jacs.5b08406","","","1.54187","CuKα","","0.0714","0.0679","","","0.1871","0.1903","","","","","","1.043","","","","has coordinates,has disorder","170077","2020-10-21","18:00:00",""
"4124546","10.8909","0.0002","20.756","0.0004","19.7148","0.0014","90","","104.748","0.007","90","","4309.7","0.4","85","","85","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H41 N5 O2 P2 Ru -","- C54 H41 N5 O2 P2 Ru -","- C216 H164 N20 O8 P8 Ru4 -","4","1","","Geri, Jacob B.; Szymczak, Nathaniel K.","A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration.","Journal of the American Chemical Society","2015","137","40","12808","12814","10.1021/jacs.5b08406","","","1.54187","CuKα","","0.0312","0.031","","","0.1213","0.1218","","","","","","1.156","","","","has coordinates,has disorder","170077","2020-10-21","18:00:00",""
"4124547","19.7147","0.0014","20.8591","0.0004","19.8865","0.0014","90","","147.951","0.01","90","","4339.6","1.3","85","","85","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H43 N5 O2 P2 Ru -","- C54 H43 N5 O2 P2 Ru -","- C216 H172 N20 O8 P8 Ru4 -","4","1","","Geri, Jacob B.; Szymczak, Nathaniel K.","A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration.","Journal of the American Chemical Society","2015","137","40","12808","12814","10.1021/jacs.5b08406","","","1.54187","CuKα","","0.0331","0.0326","","","0.0808","0.0812","","","","","","1.028","","","","has coordinates","170077","2020-10-21","18:00:00",""
"4124548","11.5276","0.0002","15.2452","0.0002","31.182","0.002","90","","99.389","0.007","90","","5406.5","0.4","85","","85","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57.45 H68.9 B2 N5 O6 P Ru -","- C57.45 H68.9 B2 N5 O6 P Ru -","- C229.8 H275.6 B8 N20 O24 P4 Ru4 -","4","1","","Geri, Jacob B.; Szymczak, Nathaniel K.","A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration.","Journal of the American Chemical Society","2015","137","40","12808","12814","10.1021/jacs.5b08406","","","1.54187","CuKα","","0.0407","0.0394","","","0.0991","0.0999","","","","","","1.067","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124549","6.9811","0.0008","16.0997","0.0015","17.343","0.0016","105.313","0.003","93.975","0.004","102.06","0.004","1822.5","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H46 N10 O36 -","- C74 H54 N10 O36 -","- C74 H54 N10 O36 -","1","0.5","","Yang, Yu-Dong; Fan, Chuan-Cai; Rambo, Brett M.; Gong, Han-Yuan; Xu, Li-Jin; Xiang, Jun-Feng; Sessler, Jonathan L.","Multicomponent Self-Assembled Metal-Organic [3]Rotaxanes.","Journal of the American Chemical Society","2015","137","40","12966","12976","10.1021/jacs.5b07308","","","0.71073","MoKα","","0.094","0.0701","","","0.1588","0.1823","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124550","7.1764","0.0014","13.154","0.003","15.913","0.003","85.06","0.03","88.03","0.03","76.7","0.03","1456.3","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) _ 2 benzene-1,3,5-tricarboxylate di-anion_ 12 H2O","","","- C56 H66 N10 O24 -","- C56 H42 N10 O24 -","- C56 H42 N10 O24 -","1","0.5","","Yang, Yu-Dong; Fan, Chuan-Cai; Rambo, Brett M.; Gong, Han-Yuan; Xu, Li-Jin; Xiang, Jun-Feng; Sessler, Jonathan L.","Multicomponent Self-Assembled Metal-Organic [3]Rotaxanes.","Journal of the American Chemical Society","2015","137","40","12966","12976","10.1021/jacs.5b07308","","","0.71073","MoKα","","0.1787","0.0975","","","0.2438","0.3296","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124551","23.968","0.005","13.347","0.003","19.742","0.004","90","","96.91","0.03","90","","6270","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) _(2 benzene-1,3,5-tricarboxylate tri-anion_2Ag+_2H2O)_(2 benzene-1,3,5-tricarboxylate di-anion_Ag+)_31 H2O","","","- C112 H148 Ag3 N20 O57 -","- C112 H82 Ag3 N20 O57 -","- C224 H164 Ag6 N40 O114 -","2","0.5","","Yang, Yu-Dong; Fan, Chuan-Cai; Rambo, Brett M.; Gong, Han-Yuan; Xu, Li-Jin; Xiang, Jun-Feng; Sessler, Jonathan L.","Multicomponent Self-Assembled Metal-Organic [3]Rotaxanes.","Journal of the American Chemical Society","2015","137","40","12966","12976","10.1021/jacs.5b07308","","","0.71073","MoKα","","0.1039","0.0948","","","0.2001","0.2079","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124552","14.082","0.003","15.521","0.003","16.805","0.003","67.27","0.03","71.23","0.03","78.83","0.03","3197.4","1.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) _benzene-1,3,5-tricarboxylate tri-anion_OH-_17 H2O_2 DMF","","","- C53 H86 N12 O26 -","- C50 H44 N11 O9 -","- C100 H88 N22 O18 -","2","1","","Yang, Yu-Dong; Fan, Chuan-Cai; Rambo, Brett M.; Gong, Han-Yuan; Xu, Li-Jin; Xiang, Jun-Feng; Sessler, Jonathan L.","Multicomponent Self-Assembled Metal-Organic [3]Rotaxanes.","Journal of the American Chemical Society","2015","137","40","12966","12976","10.1021/jacs.5b07308","","","0.71073","MoKα","","0.1222","0.0905","","","0.205","0.2188","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124553","34.816","0.005","16.277","0.005","31.024","0.005","90","0.005","98.217","0.005","90","0.005","17401","7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H210 Cd4 N20 O51 -","- C112 H80 Cd4 N20 O32 -","- C448 H320 Cd16 N80 O128 -","4","1","","Yang, Yu-Dong; Fan, Chuan-Cai; Rambo, Brett M.; Gong, Han-Yuan; Xu, Li-Jin; Xiang, Jun-Feng; Sessler, Jonathan L.","Multicomponent Self-Assembled Metal-Organic [3]Rotaxanes.","Journal of the American Chemical Society","2015","137","40","12966","12976","10.1021/jacs.5b07308","","","0.71069","MoKα","","0.2553","0.142","","","0.348","0.3921","","","","","","0.849","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124554","41.9657","0.0018","22.9066","0.0009","10.0764","0.0004","90","","102.568","0.002","90","","9454.3","0.7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","ain6815","","","- C29 H33 Cl2 Co4 F6 N4 O13.5 P -","- C29 H32 Cl2 Co4 F2.013 N4 O13.5 P0.3355 -","- C232 H256 Cl16 Co32 F16.104 N32 O108 P2.684 -","8","1","","Nguyen, Andy I.; Ziegler, Micah S.; Oña-Burgos, Pascual; Sturzbecher-Hohne, Manuel; Kim, Wooyul; Bellone, Donatela E.; Tilley, T. Don","Mechanistic Investigations of Water Oxidation by a Molecular Cobalt Oxide Analogue: Evidence for a Highly Oxidized Intermediate and Exclusive Terminal Oxo Participation.","Journal of the American Chemical Society","2015","137","40","12865","12872","10.1021/jacs.5b08396","","","0.71073","MoKα","","0.097","0.0739","","","0.1445","0.156","","","","","","1.094","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124555","19.345","0.005","16.662","0.005","24.699","0.005","90","0.005","90","0.005","90","0.005","7961","4","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C29 H34 Cl2 Co4 F6 N4 O12 P -","- C29 H34 Cl2 Co4 F6 N4 O12 P -","- C232 H272 Cl16 Co32 F48 N32 O96 P8 -","8","1","","Nguyen, Andy I.; Ziegler, Micah S.; Oña-Burgos, Pascual; Sturzbecher-Hohne, Manuel; Kim, Wooyul; Bellone, Donatela E.; Tilley, T. Don","Mechanistic Investigations of Water Oxidation by a Molecular Cobalt Oxide Analogue: Evidence for a Highly Oxidized Intermediate and Exclusive Terminal Oxo Participation.","Journal of the American Chemical Society","2015","137","40","12865","12872","10.1021/jacs.5b08396","","","0.71073","MoKα","","0.0844","0.0569","","","0.1474","0.1686","","","","","","1.028","","","","has coordinates","170079","2020-10-21","18:00:00",""
"4124556","10.1252","0.0004","12.417","0.0005","20.7108","0.0008","95.165","0.002","94.724","0.002","105.613","0.002","2482.13","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.5 H26 Co2 N4 O7.5 S0.5 -","- C21.5 H26 Co2 N4 O7.5 S0.5 -","- C86 H104 Co8 N16 O30 S2 -","4","2","","Nguyen, Andy I.; Ziegler, Micah S.; Oña-Burgos, Pascual; Sturzbecher-Hohne, Manuel; Kim, Wooyul; Bellone, Donatela E.; Tilley, T. Don","Mechanistic Investigations of Water Oxidation by a Molecular Cobalt Oxide Analogue: Evidence for a Highly Oxidized Intermediate and Exclusive Terminal Oxo Participation.","Journal of the American Chemical Society","2015","137","40","12865","12872","10.1021/jacs.5b08396","","","0.71073","MoKα","","0.0402","0.0322","","","0.0808","0.0858","","","","","","1.023","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124557","9.1603","0.0018","13.911","0.003","16","0.003","78.661","0.003","85.431","0.003","78.731","0.003","1958.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H32 Cl3 Co N4 O3 -","- C47.506 H29.418 Cl3.001 Co N4 O1.5 -","- C95.012 H58.836 Cl6.002 Co2 N8 O3 -","2","1","","Lu, Jie; Dimroth, Jonas; Weck, Marcus","Compartmentalization of Incompatible Catalytic Transformations for Tandem Catalysis.","Journal of the American Chemical Society","2015","137","40","12984","12989","10.1021/jacs.5b07257","","","0.71073","MoKα","","0.1334","0.0926","","","0.257","0.2935","","","","","","1.047","","","","has coordinates,has disorder","170081","2020-10-21","18:00:00",""
"4124558","15.5616","0.0017","27.648","0.003","18.575","0.002","90","","101.299","0.002","90","","7836.9","1.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H57 B N O3 P2 Rh -","- C40 H57 B N O3 P2 Rh -","- C320 H456 B8 N8 O24 P16 Rh8 -","8","2","","Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea","Conclusive Evidence on the Mechanism of the Rhodium-Mediated Decyanative Borylation.","Journal of the American Chemical Society","2015","137","38","12321","12329","10.1021/jacs.5b07357","","","0.71073","MoKα","","0.1424","0.0653","","","0.1013","0.126","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124559","15.142","0.003","7.5379","0.0015","14.685","0.003","90","","90","","90","","1676.1","0.6","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C34 H44 F3 O P2 Rh -","- C34 H44 F3 O P2 Rh -","- C68 H88 F6 O2 P4 Rh2 -","2","0.5","","Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea","Conclusive Evidence on the Mechanism of the Rhodium-Mediated Decyanative Borylation.","Journal of the American Chemical Society","2015","137","38","12321","12329","10.1021/jacs.5b07357","","","0.71073","MoKα","","0.0485","0.0412","","","0.1012","0.1047","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124560","30.455","0.002","14.138","0.0011","21.072","0.0016","90","","90.724","0.001","90","","9072.3","1.2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C43.5 H62 B F3 N O3 P2 Rh -","- C43.5 H62 B F3 N O3 P2 Rh -","- C348 H496 B8 F24 N8 O24 P16 Rh8 -","8","1","","Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea","Conclusive Evidence on the Mechanism of the Rhodium-Mediated Decyanative Borylation.","Journal of the American Chemical Society","2015","137","38","12321","12329","10.1021/jacs.5b07357","","","0.71073","MoKα","","0.119","0.079","","","0.1453","0.1582","","","","","","1.139","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124561","19.018","0.0017","9.5701","0.0009","19.2725","0.0018","90","","92.9","0.001","90","","3503.2","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H53 B Cl O3 P2 Rh -","- C33 H53 B Cl O3 P2 Rh -","- C132 H212 B4 Cl4 O12 P8 Rh4 -","4","1","","Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea","Conclusive Evidence on the Mechanism of the Rhodium-Mediated Decyanative Borylation.","Journal of the American Chemical Society","2015","137","38","12321","12329","10.1021/jacs.5b07357","","","0.71073","MoKα","","0.0705","0.0403","","","0.0778","0.0851","","","","","","0.928","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124562","29.2095","0.0007","29.2095","0.0007","29.2095","0.0007","90","","90","","90","","24921.4","1","150","2","150","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C12 H6 N3 O7 Tb -","- C12 H6 N3 O7 Tb -","- C576 H288 N144 O336 Tb48 -","48","1","","Zhang, Shi-Yuan; Shi, Wei; Cheng, Peng; Zaworotko, Michael J.","A Mixed-Crystal Lanthanide Zeolite-like Metal-Organic Framework as a Fluorescent Indicator for Lysophosphatidic Acid, a Cancer Biomarker.","Journal of the American Chemical Society","2015","137","38","12203","12206","10.1021/jacs.5b06929","","","0.71073","MoKα","","0.1397","0.0737","","","0.1765","0.1987","","","","","","0.945","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124563","46.098","0.008","46.098","0.008","46.098","0.008","90","","90","","90","","97959","3","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C180 H100 O32 Zr6 -","- C180 O32 Zr6 -","- C720 O128 Zr24 -","4","0.0208333","","Sawano, Takahiro; Thacker, Nathan C.; Lin, Zekai; McIsaac, Alexandra R.; Lin, Wenbin","Robust, Chiral, and Porous BINAP-Based Metal-Organic Frameworks for Highly Enantioselective Cyclization Reactions.","Journal of the American Chemical Society","2015","137","38","12241","12248","10.1021/jacs.5b09225","","","0.41328","","","0.1614","0.1359","","","0.3705","0.3786","","","","","","2.227","","","","has coordinates","159584","2020-10-21","18:00:00",""
"4124564","19.1282","0.0004","19.9934","0.0004","40.5716","0.0007","90","","90","","90","","15516.1","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C78.45 H79.8 O30.45 -","- C78.45 H54 O30.45 -","- C627.6 H432 O243.6 -","8","2","","Chen, Shigui; Yamasaki, Makoto; Polen, Shane; Gallucci, Judith; Hadad, Christopher M.; Badjić, Jovica D","Dual-Cavity Basket Promotes Encapsulation in Water in an Allosteric Fashion.","Journal of the American Chemical Society","2015","137","38","12276","12281","10.1021/jacs.5b06041","","x-ray","0.71073","MoKα","","0.207","0.1296","","","0.3167","0.3682","","","","","","1.242","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124565","5.9216","0.0003","20.07","0.001","18.4872","0.0009","90","","96.45","0.003","90","","2183.23","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","M4","toste135","","- C23 H23 F N2 O5 S -","- C23 H23 F N2 O5 S -","- C92 H92 F4 N8 O20 S4 -","4","2","","He, Ying; Yang, Zhenyu; Thornbury, Richard T.; Toste, F. Dean","Palladium-Catalyzed Enantioselective 1,1-Fluoroarylation of Aminoalkenes.","Journal of the American Chemical Society","2015","137","38","12207","12210","10.1021/jacs.5b07795","","","1.54178","CuKα","","0.0798","0.074","","","0.1915","0.1968","","","","","","1.035","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4124566","9.2388","0.0004","14.9261","0.0007","7.4031","0.0003","90","","90","","90","","1020.88","0.08","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","YS4-053","hartwig85","","- C13 H15 N -","- C13 H15 N -","- C52 H60 N4 -","4","1","","Schramm, York; Takeuchi, Makoto; Semba, Kazuhiko; Nakao, Yoshiaki; Hartwig, John F.","Anti-Markovnikov Hydroheteroarylation of Unactivated Alkenes with Indoles, Pyrroles, Benzofurans, and Furans Catalyzed by a Nickel-N-Heterocyclic Carbene System.","Journal of the American Chemical Society","2015","137","38","12215","12218","10.1021/jacs.5b08039","","","1.54178","CuKα","","0.0315","0.0309","","","0.0828","0.0833","","","","","","1.04","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4124567","14.0558","0.0004","19.5015","0.0005","20.6016","0.0006","90","","94.322","0.002","90","","5631","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","YS-(IPr*OMe)Ni(C6H6)","hartwig83","","- C75 H62 N2 Ni O2 -","- C75 H62 N2 Ni O2 -","- C300 H248 N8 Ni4 O8 -","4","1","","Schramm, York; Takeuchi, Makoto; Semba, Kazuhiko; Nakao, Yoshiaki; Hartwig, John F.","Anti-Markovnikov Hydroheteroarylation of Unactivated Alkenes with Indoles, Pyrroles, Benzofurans, and Furans Catalyzed by a Nickel-N-Heterocyclic Carbene System.","Journal of the American Chemical Society","2015","137","38","12215","12218","10.1021/jacs.5b08039","","","0.71073","MoKα","","0.1437","0.0563","","","0.112","0.1456","","","","","","1.004","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4124568","12.2509","0.0006","14.4835","0.0006","34.4912","0.0016","90","","97.764","0.002","90","","6063.9","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H88 Li Mo2 N4 O3 -","- C63 H88 Li Mo2 N4 O3 -","- C252 H352 Li4 Mo8 N16 O12 -","4","1","","Curado, Natalia; Carrasco, Mario; Álvarez, Eleuterio; Maya, Celia; Peloso, Riccardo; Rodríguez, Amor; López-Serrano, Joaquín; Carmona, Ernesto","Lithium Di- and Trimethyl Dimolybdenum(II) Complexes with Mo-Mo Quadruple Bonds and Bridging Methyl Groups.","Journal of the American Chemical Society","2015","137","38","12378","12387","10.1021/jacs.5b07899","","","0.71073","MoKα","","0.0794","0.0538","","","0.1282","0.1439","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124569","10.242","0.0013","10.8683","0.0015","22.381","0.003","79.42","0.004","80.038","0.004","70.732","0.004","2294.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H61 Li Mo2 N4 O -","- C49 H61 Li Mo1.9998 N4 O -","- C98 H122 Li2 Mo3.9996 N8 O2 -","2","1","","Curado, Natalia; Carrasco, Mario; Álvarez, Eleuterio; Maya, Celia; Peloso, Riccardo; Rodríguez, Amor; López-Serrano, Joaquín; Carmona, Ernesto","Lithium Di- and Trimethyl Dimolybdenum(II) Complexes with Mo-Mo Quadruple Bonds and Bridging Methyl Groups.","Journal of the American Chemical Society","2015","137","38","12378","12387","10.1021/jacs.5b07899","","","0.71073","MoKα","","0.0984","0.0756","","","0.2347","0.2566","","","","","","1.099","","","","has coordinates,has disorder","159589","2020-10-21","18:00:00",""
"4124570","45.402","0.003","12.1781","0.0009","27.374","0.002","90","","114.171","0.001","90","","13808.4","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69 H111 Li Mo2 N4 O4 -","- C69 H111 Li Mo2 N4 O4 -","- C552 H888 Li8 Mo16 N32 O32 -","8","1","","Curado, Natalia; Carrasco, Mario; Álvarez, Eleuterio; Maya, Celia; Peloso, Riccardo; Rodríguez, Amor; López-Serrano, Joaquín; Carmona, Ernesto","Lithium Di- and Trimethyl Dimolybdenum(II) Complexes with Mo-Mo Quadruple Bonds and Bridging Methyl Groups.","Journal of the American Chemical Society","2015","137","38","12378","12387","10.1021/jacs.5b07899","","","0.71073","MoKα","","0.1338","0.0783","","","0.1748","0.2047","","","","","","1.138","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124571","7.9776","0.0004","10.4105","0.0004","9.8963","0.0005","90","","94.742","0.002","90","","819.08","0.07","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H15 B2 N O -","- C4 H15 B2 N O -","- C16 H60 B8 N4 O4 -","4","1","","Li, Huizhen; Ma, Nana; Meng, Wenjuan; Gallucci, Judith; Qiu, Yongqing; Li, Shujun; Zhao, Qianyi; Zhang, Jie; Zhao, Ji-Cheng; Chen, Xuenian","Formation Mechanisms, Structure, Solution Behavior, and Reactivity of Aminodiborane.","Journal of the American Chemical Society","2015","137","38","12406","12414","10.1021/jacs.5b08033","","x-ray","0.71073","MoKα","","0.0903","0.0621","","","0.1617","0.1829","","","","","","1.062","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124572","11.0094","0.0002","12.8704","0.0003","19.9165","0.0004","90","","103.957","0.001","90","","2738.76","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H48 B2 N Na O8 -","- C20 H48 B2 N Na O8 -","- C80 H192 B8 N4 Na4 O32 -","4","1","","Li, Huizhen; Ma, Nana; Meng, Wenjuan; Gallucci, Judith; Qiu, Yongqing; Li, Shujun; Zhao, Qianyi; Zhang, Jie; Zhao, Ji-Cheng; Chen, Xuenian","Formation Mechanisms, Structure, Solution Behavior, and Reactivity of Aminodiborane.","Journal of the American Chemical Society","2015","137","38","12406","12414","10.1021/jacs.5b08033","","x-ray","0.71073","MoKα","","0.0699","0.0456","","","0.1182","0.1321","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124573","8.5207","0.0002","9.3411","0.0002","12.5358","0.0003","100.109","0.0011","108.543","0.0011","104.931","0.0009","877.18","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","[MgFp2(THF)]2","","- C36 H36 Fe4 Mg2 O10 -","- C36 H36 Fe4 Mg2 O10 -","- C36 H36 Fe4 Mg2 O10 -","1","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","0.71073","MoKα","","0.0273","0.0241","","0.0261","0.0236","0.0233","","","","","","1.1201","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124574","10.8413","0.0002","14.876","0.0005","16.7804","0.0006","65.548","0.003","79.915","0.002","83.476","0.002","2422.91","0.14","150","","150","","","","","","","","","6","P -1","-P 1","2","","Mg{Co(CO)3(PCy3)}2(THF)","","- C92 H142.4 Co4 Mg2 O14 P4 -","- C92 H142.4 Co4 Mg2 O14 P4 -","- C92 H142.4 Co4 Mg2 O14 P4 -","1","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.54184","CuKα","","0.0462","0.0393","","0.0288","0.0271","0.0266","","","","","","1.0708","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124575","12.6954","0.0007","14.17","0.0012","15.6381","0.001","66.744","0.007","89.34","0.005","89.105","0.005","2584.3","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Ca{Co(CO)3(PCy3)}2(THF)2]2","","- C50 H80 Ca Co2 O8 P2 -","- C50 H80 Ca Co2 O8 P2 -","- C100 H160 Ca2 Co4 O16 P4 -","2","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.1147","0.0804","","0.0802","0.0556","0.0556","","","","","","1.1634","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124576","11.5294","0.0003","15.0404","0.0004","17.5701","0.0004","75.424","0.002","79.921","0.002","76.665","0.002","2846.99","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","Sr{Co(CO)3(PCy3)}2(THF)3","","- C54 H90 Co2 O9 P2 Sr -","- C54 H90 Co2 O9 P2 Sr -","- C108 H180 Co4 O18 P4 Sr2 -","2","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.54184","CuKα","","0.041","0.0369","","0.0385","0.0364","0.0358","","","","","","1.0352","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124577","11.18582","0.00019","14.3086","0.0003","18.1682","0.0005","83.045","0.002","88.3797","0.0018","79.8875","0.0016","2841.57","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","Yb{Co(CO)3(PCy3)}2(THF)3","","- C108 H180 Co4 O18 P4 Yb2 -","- C108 H180 Co4 O18 P4 Yb2 -","- C108 H180 Co4 O18 P4 Yb2 -","1","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.54184","CuKα","","0.0389","0.0353","","0.0378","0.0371","0.0368","","","","","","1.1167","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124578","11.5469","0.0004","14.982","0.0004","17.6196","0.0006","75.35","0.003","79.766","0.003","76.591","0.003","2845.59","0.17","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Eu{Co(CO)3(PCy3)}2(THF)3]","","- C54 H90 Co2 Eu O9 P2 -","- C54 H90 Co2 Eu O9 P2 -","- C108 H180 Co4 Eu2 O18 P4 -","2","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.0494","0.0409","","0.0525","0.0475","0.0463","","","","","","1.0935","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124579","11.1599","0.0003","19.0055","0.0004","36.8181","0.0008","90","","92.677","0.002","90","","7800.6","0.3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Sm{Co(CO)3(PCy3)}2(THF)6","","- C72 H126 Co2 O13.5 P2 Sm -","- C72 H126 Co2 O13.5 P2 Sm -","- C288 H504 Co8 O54 P8 Sm4 -","4","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.0999","0.0951","","0.1078","0.1036","0.1021","","","","","","1.0748","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124580","20.6944","0.0006","11.09","0.0003","36.5676","0.0009","90","","103.123","0.003","90","","8173.1","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Sm{Co(CO)3(PCy3)}3(THF)3","","- C76.5 H127.5 Co3 O12 P3 Sm -","- C76.5 H127.5 Co3 O12 P3 Sm -","- C306 H510 Co12 O48 P12 Sm4 -","4","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.1657","0.1092","","0.0177","0.0131","0.0129","","","","","","1.071","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124581","13.8884","0.0002","21.8063","0.0003","18.5382","0.0003","90","","95.7951","0.0006","90","","5585.69","0.14","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Mg(HMPA)4][CpFe(CO)2]2","","- C38 H82 Fe2 Mg N12 O8 P4 -","- C38 H82 Fe2 Mg N12 O8 P4 -","- C152 H328 Fe8 Mg4 N48 O32 P16 -","4","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","0.71073","MoKα","","0.0953","0.0575","","0.0511","0.0402","0.0383","","","","","","1.0885","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124582","52.9398","0.0005","13.8313","0.0002","23.2571","0.0003","90","","98.2726","0.0005","90","","16852.3","0.4","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","YbFp2(HMPA)4","","- C38 H82 Fe2 N12 O8 P4 Yb -","- C38 H82 Fe2 N12 O8 P4 Yb -","- C456 H984 Fe24 N144 O96 P48 Yb12 -","12","1.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","0.71073","MoKα","","0.0737","0.0428","","0.046","0.0325","0.0307","","","","","","1.1275","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124583","12.2485","0.0003","12.8238","0.0003","18.0967","0.0006","85.0129","0.0011","82.8752","0.0013","71.251","0.0013","2667.52","0.13","150","","150","","","","","","","","","5","P -1","-P 1","2","","[Ca{CpRu(CO)2}(OH)]4","","- C44 H56 Ca4 O16 Ru4 -","- C44 H56 Ca4 O16 Ru4 -","- C88 H112 Ca8 O32 Ru8 -","2","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","0.71073","MoKα","","0.0847","0.0496","","0.0309","0.0224","0.0207","","","","","","1.1017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124584","16.0633","0.0003","16.3836","0.0003","19.0298","0.0004","90","","90","","90","","5008.16","0.17","150","","150","","","","","","","","","6","P 21 c n","P -2n 2a","33","","Ca{Fe2(CO)8}(MeCN)5","","- C18 H15 Ca Fe2 N5 O8 -","- C18 H15 Ca Fe2 N5 O8 -","- C144 H120 Ca8 Fe16 N40 O64 -","8","2","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","0.71073","MoKα","","0.064","0.0522","","0.031","0.0273","0.0262","","","","","","1.0878","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124585","8.614","0.0001","19.0207","0.0003","16.7735","0.0002","90","","98.0988","0.0007","90","","2720.83","0.06","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ca{Fe3(CO)11}(MeCN)4","","- C19 H12 Ca Fe3 N4 O11 -","- C19 H12 Ca Fe3 N4 O11 -","- C76 H48 Ca4 Fe12 N16 O44 -","4","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","0.71073","MoKα","","0.0407","0.0312","","0.0333","0.0293","0.0286","","","","","","1.1452","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124586","14.2558","0.0003","21.445","0.0003","43.111","0.0007","90","","99.2009","0.0019","90","","13010.1","0.4","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Ca(HMPA)5(MeCN)][Fe2CO8]","","- C40 H93 Ca Fe2 N16 O13 P5 -","- C40 H93 Ca Fe2 N16 O13 P5 -","- C320 H744 Ca8 Fe16 N128 O104 P40 -","8","2","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.1197","0.0934","","0.1084","0.0928","0.0899","","","","","","1.1234","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124587","13.0148","0.0002","13.3323","0.0003","24.1738","0.0005","90","","99.8845","0.001","90","","4132.31","0.14","150","","150","","","","","","","","","7","P 1 n 1","P -2yac","7","","[Ca{Fe(CO)4}(HMPA)3(THF)] x","","- C26 H62 Ca Fe N9 O8 P3 -","- C26 H62 Ca Fe N9 O8 P3 -","- C104 H248 Ca4 Fe4 N36 O32 P12 -","4","2","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","0.71073","MoKα","","0.125","0.0672","","0.0558","0.0312","0.0275","","","","","","1.1048","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124588","9.6742","0.0001","16.876","0.0001","17.6975","0.0001","90","","105.594","0.001","90","","2782.97","0.04","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ca{Co(CO)3(PPh3)}2(THF)4","","- C58 H58 Ca Co2 O10 P2 -","- C58 H58 Ca Co2 O10 P2 -","- C116 H116 Ca2 Co4 O20 P4 -","2","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.54184","CuKα","","0.0363","0.0341","","0.0404","0.0393","0.0389","","","","","","1.1432","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124589","14.1017","0.0003","14.7448","0.0004","16.2679","0.0003","102.382","0.0017","98.1349","0.0017","99.476","0.002","3203.43","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Sr{Co(CO)3(PPh3)}2(THF)5]2","","- C130 H152 Co4 O23.5 P4 Sr2 -","- C130 H152 Co4 O23.5 P4 Sr2 -","- C130 H152 Co4 O23.5 P4 Sr2 -","1","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.54184","CuKα","","0.0563","0.0522","","0.0111","0.0109","0.0108","","","","","","1.1229","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124590","13.188","0.0003","13.7599","0.0003","19.81","0.0005","71.863","0.002","71.165","0.002","79.87","0.0018","3221.92","0.14","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Ba{Co(CO)3(PPh3)}2(THF)6]2","","- C132 H156 Ba2 Co4 O24 P4 -","- C132 H156 Ba2 Co4 O24 P4 -","- C132 H156 Ba2 Co4 O24 P4 -","1","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.54184","CuKα","","0.0842","0.0771","","0.0837","0.0805","0.0795","","","","","","1.0762","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124591","11.2586","0.0003","18.8474","0.0005","37.378","0.0008","90","","91.97","0.003","90","","7926.7","0.3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ba{Co(CO)3(PCy3)}2(THF)6","","- C74 H130 Ba Co2 O14 P2 -","- C74 H130 Ba Co2 O14 P2 -","- C296 H520 Ba4 Co8 O56 P8 -","4","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.0651","0.0565","","0.0646","0.0617","0.0608","","","","","","1.0574","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124592","14.0828","0.0003","14.7164","0.0004","16.5988","0.0005","71.729","0.002","84.458","0.002","71.354","0.002","3095.15","0.15","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Eu{Co(CO)3PCy3)}2(THF)4]","","- C58 H98 Co2 Eu O10 P2 -","- C58 H98 Co2 Eu O10 P2 -","- C116 H196 Co4 Eu2 O20 P4 -","2","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.0463","0.0405","","0.0374","0.0364","0.0362","","","","","","1.112","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124593","9.9127","0.0002","18.3725","0.0003","33.7192","0.0009","90","","95.607","0.002","90","","6111.6","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","K{Co(CO)3(PCy3)}(THF)2","","- C29 H49 Co K O5 P -","- C29 H49 Co K O5 P -","- C232 H392 Co8 K8 O40 P8 -","8","2","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.1325","0.1084","","0.0904","0.0816","0.0796","","","","","","1.0629","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124594","7.493","0.0012","12.872","0.002","17.207","0.003","90","","90","","90","","1659.6","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Gao, Pan; Guo, Wei; Xue, Jingjing; Zhao, Yue; Yuan, Yu; Xia, Yuanzhi; Shi, Zhuangzhi","Iridium(III)-Catalyzed Direct Arylation of C-H Bonds with Diaryliodonium Salts.","Journal of the American Chemical Society","2015","137","38","12231","12240","10.1021/jacs.5b06758","","","0.71073","MoKα","","0.0435","0.0367","","","0.0913","0.0962","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124595","10.928","0.002","7.4634","0.0014","20.727","0.004","90","","101.834","0.003","90","","1654.6","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H59 N O -","- C38 H59 N O -","- C76 H118 N2 O2 -","2","1","","Gao, Pan; Guo, Wei; Xue, Jingjing; Zhao, Yue; Yuan, Yu; Xia, Yuanzhi; Shi, Zhuangzhi","Iridium(III)-Catalyzed Direct Arylation of C-H Bonds with Diaryliodonium Salts.","Journal of the American Chemical Society","2015","137","38","12231","12240","10.1021/jacs.5b06758","","","0.71073","MoKα","","0.0783","0.0663","","","0.1573","0.1692","","","","","","1.13","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124596","8.9891","0.0002","9.6537","0.0002","10.6551","0.0008","72.352","0.005","73.504","0.005","63.788","0.004","778.24","0.07","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C15 H9 Br3 N2 O2 -","- C15 H9 Br3 N2 O2 -","- C30 H18 Br6 N4 O4 -","2","2","","Diener, Matthew E.; Metrano, Anthony J.; Kusano, Shuhei; Miller, Scott J.","Enantioselective Synthesis of 3-Arylquinazolin-4(3H)-ones via Peptide-Catalyzed Atroposelective Bromination.","Journal of the American Chemical Society","2015","137","38","12369","12377","10.1021/jacs.5b07726","","","1.54187","CuKα","","0.0401","0.0396","","","0.1047","0.1053","","","","","","1.097","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124597","16.1717","0.0011","9.3641","0.0006","21.5606","0.0015","90","","104.716","0.002","90","","3157.9","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H49 N6 O6.5 -","- C27 H49 N6 O6.5 -","- C108 H196 N24 O26 -","4","2","","Diener, Matthew E.; Metrano, Anthony J.; Kusano, Shuhei; Miller, Scott J.","Enantioselective Synthesis of 3-Arylquinazolin-4(3H)-ones via Peptide-Catalyzed Atroposelective Bromination.","Journal of the American Chemical Society","2015","137","38","12369","12377","10.1021/jacs.5b07726","","","1.54187","CuKα","","0.0982","0.0651","","","0.1665","0.1864","","","","","","1.023","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124598","13.0174","0.0003","13.1393","0.0003","13.8827","0.0003","102.753","0.0011","112.423","0.0011","90.1731","0.0013","2130.77","0.09","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H41 B F10 N2 O2 P -","- C48 H41 B F10 N2 O2 P -","- C96 H82 B2 F20 N4 O4 P2 -","2","1","","Mo, Zhenbo; Kolychev, Eugene L.; Rit, Arnab; Campos, Jesús; Niu, Haoyu; Aldridge, Simon","Facile Reversibility by Design: Tuning Small Molecule Capture and Activation by Single Component Frustrated Lewis Pairs.","Journal of the American Chemical Society","2015","137","38","12227","12230","10.1021/jacs.5b08614","","","0.71073","MoKα","","0.0687","0.0527","","0.1443","0.1263","0.1443","","","","","","0.9166","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124599","9.9356","0.0002","11.912","0.0003","15.5031","0.0004","97.3307","0.001","98.885","0.001","96.1369","0.001","1782.93","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H28 B F10 O P -","- C42 H28 B F10 O P -","- C84 H56 B2 F20 O2 P2 -","2","1","","Mo, Zhenbo; Kolychev, Eugene L.; Rit, Arnab; Campos, Jesús; Niu, Haoyu; Aldridge, Simon","Facile Reversibility by Design: Tuning Small Molecule Capture and Activation by Single Component Frustrated Lewis Pairs.","Journal of the American Chemical Society","2015","137","38","12227","12230","10.1021/jacs.5b08614","","","0.71073","MoKα","","0.0623","0.0458","","0.1185","0.1017","0.1185","","","","","","0.9561","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124600","18.0706","0.0002","20.3168","0.0003","21.2135","0.0003","90","","90","","90","","7788.26","0.18","150","","150","","","","","","","","","6","P c n b","-P 2b 2ac","60","","","","- C45 H36 B F10 O P -","- C45 H36 B F10 O P -","- C360 H288 B8 F80 O8 P8 -","8","1","","Mo, Zhenbo; Kolychev, Eugene L.; Rit, Arnab; Campos, Jesús; Niu, Haoyu; Aldridge, Simon","Facile Reversibility by Design: Tuning Small Molecule Capture and Activation by Single Component Frustrated Lewis Pairs.","Journal of the American Chemical Society","2015","137","38","12227","12230","10.1021/jacs.5b08614","","","0.71073","MoKα","","0.089","0.0487","","0.1556","0.1138","0.1556","","","","","","0.9853","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124601","10.6337","0.0002","13.4784","0.0003","14.6502","0.0003","106.898","0.0011","104.204","0.001","94.5848","0.0012","1921.59","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H34 B F10 O P -","- C45 H34 B F10 O P -","- C90 H68 B2 F20 O2 P2 -","2","1","","Mo, Zhenbo; Kolychev, Eugene L.; Rit, Arnab; Campos, Jesús; Niu, Haoyu; Aldridge, Simon","Facile Reversibility by Design: Tuning Small Molecule Capture and Activation by Single Component Frustrated Lewis Pairs.","Journal of the American Chemical Society","2015","137","38","12227","12230","10.1021/jacs.5b08614","","","0.71073","MoKα","","0.0741","0.0464","","0.1355","0.1066","0.1354","","","","","","0.9702","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124602","9.5213","0.0002","12.7992","0.0003","14.4877","0.0004","64.8068","0.0009","77.2838","0.001","82.2971","0.0012","1556.79","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H26 B F10 O P -","- C33 H26 B F10 O P -","- C66 H52 B2 F20 O2 P2 -","2","1","","Mo, Zhenbo; Kolychev, Eugene L.; Rit, Arnab; Campos, Jesús; Niu, Haoyu; Aldridge, Simon","Facile Reversibility by Design: Tuning Small Molecule Capture and Activation by Single Component Frustrated Lewis Pairs.","Journal of the American Chemical Society","2015","137","38","12227","12230","10.1021/jacs.5b08614","","","0.71073","MoKα","","0.0747","0.0467","","0.134","0.1055","0.134","","","","","","0.9539","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124603","19.611","0.0007","18.9841","0.0003","19.3662","0.0007","90","","118.974","0.005","90","","6307.6","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 B F10 O P -","- C33 H28 B F10 O P -","- C264 H224 B8 F80 O8 P8 -","8","2","","Mo, Zhenbo; Kolychev, Eugene L.; Rit, Arnab; Campos, Jesús; Niu, Haoyu; Aldridge, Simon","Facile Reversibility by Design: Tuning Small Molecule Capture and Activation by Single Component Frustrated Lewis Pairs.","Journal of the American Chemical Society","2015","137","38","12227","12230","10.1021/jacs.5b08614","","","1.5418","CuKα","","0.0791","0.068","","","0.2011","0.2187","","","","","","0.989","","","","has coordinates","159597","2020-10-21","18:00:00",""
"4124604","26.28","0.005","3.8865","0.0008","17.871","0.004","90","","102.99","0.03","90","","1778.6","0.7","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H Br2 Cl S2 -","- C6 H Br2 Cl S2 -","- C48 H8 Br16 Cl8 S16 -","8","1","","Ren, Longbin; Liu, Feng; Shen, Xingxing; Zhang, Cheng; Yi, Yuanping; Zhu, Xiaozhang","Developing Quinoidal Fluorophores with Unusually Strong Red/Near-Infrared Emission.","Journal of the American Chemical Society","2015","137","35","11294","11302","10.1021/jacs.5b03899","","","0.71073","MoKα","","0.0432","0.0341","","","0.0854","0.0889","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124605","6.146","0.0006","10.9394","0.0012","15.1016","0.0016","92.691","0.004","96.952","0.005","106.391","0.005","963.39","0.18","295","2","295","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H28 O3 S -","- C19 H28 O3 S -","- C38 H56 O6 S2 -","2","2","","Alam, Rauful; Vollgraff, Tobias; Eriksson, Lars; Szabó, Kálmán J","Synthesis of Adjacent Quaternary Stereocenters by Catalytic Asymmetric Allylboration.","Journal of the American Chemical Society","2015","137","35","11262","11265","10.1021/jacs.5b07498","","","0.71073","MoKα","","0.0895","0.0508","","","0.106","0.1218","","","","","","1.013","","","","has coordinates","159599","2020-10-21","18:00:00",""
"4124606","10.6952","0.0005","6.1486","0.0004","11.1379","0.0006","90","","101.24","0.005","90","","718.39","0.07","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H20 O3 S -","- C14 H20 O3 S -","- C28 H40 O6 S2 -","2","1","","Alam, Rauful; Vollgraff, Tobias; Eriksson, Lars; Szabó, Kálmán J","Synthesis of Adjacent Quaternary Stereocenters by Catalytic Asymmetric Allylboration.","Journal of the American Chemical Society","2015","137","35","11262","11265","10.1021/jacs.5b07498","","","0.71073","MoKα","","0.0541","0.0433","","","0.0868","0.0929","","","","","","1.093","","","","has coordinates","159600","2020-10-21","18:00:00",""
"4124607","21.992","0.001","10.7497","0.0006","16.0302","0.0007","90","","111.838","0.003","90","","3517.7","0.3","250","2","250","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Tin Iodide tris(dimethylsulfoxide)","","","- C6 H18 I2 O3 S3 Sn -","- C6 H18 I2 O3 S3 Sn -","- C48 H144 I16 O24 S24 Sn8 -","8","1","","Hao, Feng; Stoumpos, Constantinos C.; Guo, Peijun; Zhou, Nanjia; Marks, Tobin J.; Chang, Robert P. H.; Kanatzidis, Mercouri G.","Solvent-Mediated Crystallization of CH3NH3SnI3 Films for Heterojunction Depleted Perovskite Solar Cells.","Journal of the American Chemical Society","2015","137","35","11445","11452","10.1021/jacs.5b06658","","","0.71073","MoKα","","0.0423","0.027","","","0.0547","0.0587","","","","","","0.978","","","","has coordinates","159601","2020-10-21","18:00:00",""
"4124608","12.0823","0.0004","5.4689","0.0002","24.7977","0.0009","90","","100.248","0.002","90","","1612.41","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C80 H68 N4 O20 -","4","1","","Zhang, Kui; Cai, Lingchao; Jiang, Xing; Garcia-Garibay, Miguel A; Kwon, Ohyun","Phosphine-Mediated Iterative Arene Homologation Using Allenes.","Journal of the American Chemical Society","2015","137","35","11258","11261","10.1021/jacs.5b07403","","","1.54178","CuKα","","0.0419","0.0351","","","0.1005","0.1028","","","","","","1.1","","","","has coordinates","159602","2020-10-21","18:00:00",""
"4124609","27.818","0.004","15.0843","0.0018","17.152","0.002","90","","120.03","0.004","90","","6231.1","1.4","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H50 B N3 -","- C36 H50 B N3 -","- C288 H400 B8 N24 -","8","1","","Su, Bochao; Li, Yongxin; Ganguly, Rakesh; Lim, Jenny; Kinjo, Rei","Isolation and Reactivity of 1,4,2-Diazaborole.","Journal of the American Chemical Society","2015","137","35","11274","11277","10.1021/jacs.5b07823","","","0.71073","MoKα","","0.1612","0.0703","","","0.1503","0.1926","","","","","","0.993","","","","has coordinates","159603","2020-10-21","18:00:00",""
"4124610","10.3443","0.0006","29.9302","0.0015","12.7246","0.0007","90","","111.635","0.003","90","","3662.1","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H52 B2 Cl2 F5 N3 -","- C37 H52 B2 Cl2 F5 N3 -","- C148 H208 B8 Cl8 F20 N12 -","4","1","","Su, Bochao; Li, Yongxin; Ganguly, Rakesh; Lim, Jenny; Kinjo, Rei","Isolation and Reactivity of 1,4,2-Diazaborole.","Journal of the American Chemical Society","2015","137","35","11274","11277","10.1021/jacs.5b07823","","","0.71073","MoKα","","0.1193","0.0551","","","0.1474","0.2118","","","","","","1.03","","","","has coordinates","159604","2020-10-21","18:00:00",""
"4124611","40.4055","0.0015","13.0469","0.0004","34.7282","0.0014","90","","118.605","0.0017","90","","16073","1","153","2","153","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C39 H55 B Cl2 F3 N3 O3 S -","- C39 H55 B Cl2 F3 N3 O3 S -","- C624 H880 B16 Cl32 F48 N48 O48 S16 -","16","2","","Su, Bochao; Li, Yongxin; Ganguly, Rakesh; Lim, Jenny; Kinjo, Rei","Isolation and Reactivity of 1,4,2-Diazaborole.","Journal of the American Chemical Society","2015","137","35","11274","11277","10.1021/jacs.5b07823","","","0.71073","MoKα","","0.1258","0.059","","","0.1507","0.2023","","","","","","1.06","","","","has coordinates,has disorder","159605","2020-10-21","18:00:00",""
"4124612","10.0389","0.0004","31.4758","0.0013","12.8082","0.0005","90","","111.725","0.0015","90","","3759.7","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H55.5 B Cl2.25 N4.75 -","- C39.55 H55.4 B Cl2.3 N4.7 -","- C158.2 H221.6 B4 Cl9.2 N18.8 -","4","1","","Su, Bochao; Li, Yongxin; Ganguly, Rakesh; Lim, Jenny; Kinjo, Rei","Isolation and Reactivity of 1,4,2-Diazaborole.","Journal of the American Chemical Society","2015","137","35","11274","11277","10.1021/jacs.5b07823","","","0.71073","MoKα","","0.0842","0.0605","","","0.1447","0.155","","","","","","1.103","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124613","3.9313","","11.5629","","3.4926","","90","","90","","90","","158.764","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Sr (Cu2 O3)","","- Cu2 O3 Sr -","- Cu2 O3 Sr -","- Cu4 O6 Sr2 -","2","0.125","","Azuma, M.; Yoshida, H.; Saito, T.; Yamada, T.; Takano, M.","Pressure-induced buckling of spin ladder in Sr Cu2 O3","Journal of the American Chemical Society","2004","126","","8244","8246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124614","3.8833","","10.6202","","3.2791","","90","","90","","90","","135.235","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Sr (Cu2 O3)","","- Cu2 O3 Sr -","- Cu2 O3 Sr -","- Cu4 O6 Sr2 -","2","0.25","","Azuma, M.; Yoshida, H.; Saito, T.; Yamada, T.; Takano, M.","Pressure-induced buckling of spin ladder in Sr Cu2 O3","Journal of the American Chemical Society","2004","126","","8244","8246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124615","21.03","","21.03","","8.53","","90","","90","","120","","3267.07","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","K11.52 ((Ga11.52 Si36.48) O96)","","- Ga11.52 K8.88 O96 Si36.48 -","- Ga11.52 K8.88 O96 Si36.48 -","- Ga11.52 K8.88 O96 Si36.48 -","1","0.0833333","","Strohmaier, K.G.; Vaughan, D.E.W.","Structure of the first silicate molecular sieve with 18-ring pore openings, ECR-34","Journal of the American Chemical Society","2003","125","","16035","16039","","","","","","","","","","","","","","","","","","","","","","has coordinates","160072","2020-10-21","18:00:00",""
"4124616","9.5487","0.0001","11.6601","0.0002","14.4501","0.0003","90","","90","","90","","1608.86","0.05","150","","150","","","","","","","","synthesis","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 N2 -","- C21 H16 N2 -","- C84 H64 N8 -","4","1","","Sharma, Krishna; Wolstenhulme, Jamie R.; Painter, Phillip P.; Yeo, David; Grande-Carmona, Francisca; Johnston, Craig P.; Tantillo, Dean J.; Smith, Martin D.","Cation-Controlled Enantioselective and Diastereoselective Synthesis of Indolines: An Autoinductive Phase-Transfer Initiated 5-endo-trig Process.","Journal of the American Chemical Society","2015","137","41","13414","13424","10.1021/jacs.5b08834","","","0.71073","MoKα","","0.0428","0.0342","","0.0784","0.069","0.0784","","","","","","1.0452","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124617","7.9846","0.0002","9.7916","0.0002","10.3173","0.0002","94.732","0.0011","106.024","0.0011","91.1402","0.001","771.88","0.03","150","","150","","","","","","","","synthesis","3","P -1","-P 1","2","","","","- C21 H16 N2 -","- C21 H16 N2 -","- C42 H32 N4 -","2","1","","Sharma, Krishna; Wolstenhulme, Jamie R.; Painter, Phillip P.; Yeo, David; Grande-Carmona, Francisca; Johnston, Craig P.; Tantillo, Dean J.; Smith, Martin D.","Cation-Controlled Enantioselective and Diastereoselective Synthesis of Indolines: An Autoinductive Phase-Transfer Initiated 5-endo-trig Process.","Journal of the American Chemical Society","2015","137","41","13414","13424","10.1021/jacs.5b08834","","","0.71073","MoKα","","0.0483","0.0416","","0.1083","0.1003","0.1083","","","","","","0.9157","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124618","14.8368","0.0003","9.9648","0.0002","11.2252","0.0002","90","","97.706","0.0009","90","","1644.61","0.06","150","","150","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H22 N2 -","- C21 H22 N2 -","- C84 H88 N8 -","4","1","","Sharma, Krishna; Wolstenhulme, Jamie R.; Painter, Phillip P.; Yeo, David; Grande-Carmona, Francisca; Johnston, Craig P.; Tantillo, Dean J.; Smith, Martin D.","Cation-Controlled Enantioselective and Diastereoselective Synthesis of Indolines: An Autoinductive Phase-Transfer Initiated 5-endo-trig Process.","Journal of the American Chemical Society","2015","137","41","13414","13424","10.1021/jacs.5b08834","","","0.71073","MoKα","","0.0366","0.0332","","0.0779","0.0765","0.0779","","","","","","1.0201","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124619","9.8715","0.0002","15.2884","0.0003","25.8224","0.0005","90","","94.7782","0.0006","90","","3883.56","0.13","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C192 H184 N8 O16 -","8","2","","Sharma, Krishna; Wolstenhulme, Jamie R.; Painter, Phillip P.; Yeo, David; Grande-Carmona, Francisca; Johnston, Craig P.; Tantillo, Dean J.; Smith, Martin D.","Cation-Controlled Enantioselective and Diastereoselective Synthesis of Indolines: An Autoinductive Phase-Transfer Initiated 5-endo-trig Process.","Journal of the American Chemical Society","2015","137","41","13414","13424","10.1021/jacs.5b08834","","","0.71073","MoKα","","0.0697","0.0482","","0.1136","0.0998","0.1136","","","","","","0.9373","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124620","6.78","","6.78","","6.78","","36.25","","36.25","","36.25","","97.511","","","","","","","","","","","","","4","R -3 m :R","-P 3* 2","166","","K Am O2 F2","","- Am F2 K O2 -","- Am F2 K O2 -","- Am F2 K O2 -","1","0.0833333","","Asprey, L.B.; Zachariasen, W.H.; Ellinger, F.H.","Preparation, identification and crystal structure of a pentavalent americium compound, K Am O2 F2","Journal of the American Chemical Society","1954","76","","5235","5237","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124621","9.03","","9.03","","6.49","","90","","90","","90","","529.2","","","","","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","(Pt (N H3)4) (Pt Cl4)","","- Cl4 H12 N4 Pt2 -","- Cl4 N4 Pt2 -","- Cl8 N8 Pt4 -","2","0.125","","Atoji, M.; Rundle, R.E.; Richardson, J.W.jr.","On the crystal structures of the magnus salts, Pt (N H3)4 Pt Cl4","Journal of the American Chemical Society","1957","79","","3017","3020","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124622","3.934","","3.934","","6.572","","90","","90","","90","","101.711","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","La C2","","- C2 La -","- C2 La -","- C4 La2 -","2","0.0625","","Atoji, M.; Daane, A.H.; Gschneidner, K.A.jr.; Rundle, R.E.; Spedding, F.H.","The structures of lanthanum dicarbide and sesquicarbide by X-ray and neutron diffraction","Journal of the American Chemical Society","1958","80","","1804","1808","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124623","8.817","","8.817","","8.817","","90","","90","","90","","685.429","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","La2 C3","","- C3 La2 -","- C3 La2 -","- C24 La16 -","8","0.166667","","Atoji, M.; Gschneidner, K.A.jr.; Daane, A.H.; Rundle, R.E.; Spedding, F.H.","The Structures of Lanthanum Dicarbide and Sesquicarbide by X-Gay and Neutron Diffraction","Journal of the American Chemical Society","1958","80","","1804","1808","","","","","","","","","","","","","","","","","","","","","","has coordinates","160682","2020-10-21","18:00:00",""
"4124624","3.171","","3.171","","18.34499","","90","","90","","120","","159.75","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","","","- Mo S2 -","- Mo S2 -","- Mo3 S6 -","3","0.166667","","Bell, R.E.; Herfert, R.E.","Preparation and characterization of a new crystalline form of molybdenum bisulfide","Journal of the American Chemical Society","1957","79","","3351","3354","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124625","16.73","","8.99","","30.38","","90","","106.9","","90","","4371.9","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(Fe (C O)3)5 C","","- C16 Fe5 O15 -","- C16 Fe5 O15 -","- C128 Fe40 O120 -","8","1","","Braye, E.H.; Dahl, L.F.; Huebel, W.; Wampler, D.L.","The preparation, properties and structure of the iron carbonyl carbide Fe5 (C O)15 C","Journal of the American Chemical Society","1962","84","","4633","4639","","","","","","","","","","","","","","","","","","","","","","has coordinates","160883","2020-10-21","18:00:00",""
"4124626","5.4","","5.4","","5.4","","39.92","","39.92","","39.92","","58.417","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Ca (N C N)","","- C Ca N2 -","- C Ca N2 -","- C Ca N2 -","1","0.0833333","","Bredig, M.A.","The crystal structure of calcium cyanamide","Journal of the American Chemical Society","1942","64","","1730","1731","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124627","7.7142","0.0002","8.0991","0.0002","10.0494","0.0002","88.2797","0.0013","69.1278","0.0012","62.0249","0.0012","510.91","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- F14 O10 Re4 Xe3 -","- F14 O10 Re4 Xe3 -","- F14 O10 Re4 Xe3 -","1","0.5","","Ivanova, Maria V.; Mercier, Hélène P A; Schrobilgen, Gary J.","[XeOXeOXe](2+), the Missing Oxide of Xenon(II); Synthesis, Raman Spectrum, and X-ray Crystal Structure of [XeOXeOXe][μ-F(ReO2F3)2]2.","Journal of the American Chemical Society","2015","137","41","13398","13413","10.1021/jacs.5b08765","","","0.71073","MoKα","","0.0355","0.0283","","","0.0574","0.0597","","","","","","1.049","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124628","10.0875","0.0008","18.896","0.0015","8.6137","0.0007","90","","104.163","0.001","90","","1592","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 -","- C21 H20 N2 -","- C84 H80 N8 -","4","1","","Zhang, Lei; Wang, Yi; Yao, Zhu-Jun; Wang, Shaozhong; Yu, Zhi-Xiang","Kinetic or Dynamic Control on a Bifurcating Potential Energy Surface? An Experimental and DFT Study of Gold-Catalyzed Ring Expansion and Spirocyclization of 2-Propargyl-β-tetrahydrocarbolines.","Journal of the American Chemical Society","2015","137","41","13290","13300","10.1021/jacs.5b05971","","","0.71073","MoKα","","0.0518","0.0395","","","0.0984","0.1074","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124629","4.966","","4.966","","6.781","","90","","90","","120","","144.823","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","Nb Ge2","","- Ge2 Nb -","- Ge2 Nb -","- Ge6 Nb3 -","3","0.25","","Carpenter, J.H.; Searcy, A.W.","Preparation, identification and chemical properties of the niobium germanides","Journal of the American Chemical Society","1956","78","","2079","2081","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124630","5.168","","5.168","","5.168","","90","","90","","90","","138.028","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","Nb3 Ge","","- Ge Nb3 -","- Ge Nb3 -","- Ge2 Nb6 -","2","0.0416667","","Carpenter, J.H.; Searcy, A.W.","Preparation, Identification and Chemical Properties of the Niobium Germanides","Journal of the American Chemical Society","1956","78","","2079","2081","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124631","4.26","","5.54","","3.44","","90","","90","","90","","81.185","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Na O2 -","- Na O2 -","- Na2 O4 -","2","0.25","","Carter, G.F.; Templeton, D.H.","Polymorphism of sodium superoxide","Journal of the American Chemical Society","1953","75","","5247","5249","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124632","14","","13.54","","3.95","","90","","90","","90","","748.762","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","B3 Cl3 (N H)3","","- B3 Cl3 H3 N3 -","- B3 Cl3 N3 -","- B12 Cl12 N12 -","4","0.5","","Coursen, D.L.; Hoard, J.L.","The Structure of B-Trichloroborazole","Journal of the American Chemical Society","1952","74","","1742","1750","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124633","9.829","","9.829","","9.829","","90","","90","","90","","949.572","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Al F1.5 (O H)1.5 (H2 O).375","","- Al F1.5 H2.25 O1.875 -","- Al F1.5 O1.875 -","- Al16 F24 O30 -","16","0.0833333","","Cowley, J.M.; Scott, R.T.","Basic Fluorides of Aluminum","Journal of the American Chemical Society","1948","70","","105","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124634","12.8064","0.0005","13.949","0.0005","15.8844","0.0006","91.03","0.002","96.339","0.002","116.243","0.002","2522.39","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H48.5 Cl4 Fe2 N8 O9.25 -","- C52 H48 Cl4 Fe2 N8 O9.25 -","- C104 H96 Cl8 Fe4 N16 O18.5 -","2","1","","Wickramasinghe, Lanka D.; Zhou, Rongwei; Zong, Ruifa; Vo, Pascal; Gagnon, Kevin J.; Thummel, Randolph P.","Iron Complexes of Square Planar Tetradentate Polypyridyl-Type Ligands as Catalysts for Water Oxidation.","Journal of the American Chemical Society","2015","137","41","13260","13263","10.1021/jacs.5b08856","","","1.0333","synchrotron","","0.1076","0.0586","","","0.1353","0.1563","","","","","","1.028","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124635","13.556","0.0006","14.0832","0.0005","17.1999","0.0007","85.457","0.003","86.877","0.002","64.143","0.002","2944.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H29.56 Cl3 Fe N5 O2.28 -","- C29 H26.75 Cl3 Fe N5 O2.283 -","- C116 H107 Cl12 Fe4 N20 O9.132 -","4","2","","Wickramasinghe, Lanka D.; Zhou, Rongwei; Zong, Ruifa; Vo, Pascal; Gagnon, Kevin J.; Thummel, Randolph P.","Iron Complexes of Square Planar Tetradentate Polypyridyl-Type Ligands as Catalysts for Water Oxidation.","Journal of the American Chemical Society","2015","137","41","13260","13263","10.1021/jacs.5b08856","","","0.7749","synchrotron","","0.1111","0.0654","","","0.1467","0.167","","","","","","1.033","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4124636","11.549","","5.506","","19.26","","90","","90","","90","","1224.72","","","","","","","","","","","","","5","P m c n","-P 2n 2a","62","","Mn (C O)3 B8 H13","","- C3 H13 B8 Mn O3 -","- C3 H13 B8 Mn O3 -","- C12 H52 B32 Mn4 O12 -","4","0.5","","Calabrese, J.C.; Fischer, M.B.; Gaines, D.F.; Lott, J.W.","A new type of metalloborane. Structural and spectroscopic characterization of tricarbonylmanganese tridecahydrooctaborate, (C O)3 Mn B8 H13","Journal of the American Chemical Society","1974","96","","6318","6323","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124637","20.23","","5.75","","5.95","","90","","90","","90","","692.119","","","","","","","","","","","","","4","I b c a","-I 2b 2c","73","","K Ag (C O3)","","- C Ag K O3 -","- C Ag K O3 -","- C8 Ag8 K8 O24 -","8","0.5","","Donohue, J.; Helmholz, L.","The crystal structure of potassium silver carbonate, K Ag C O3","Journal of the American Chemical Society","1944","66","","295","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124638","5.33","","2.86","","5.59","","90","","110.5","","90","","79.816","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Na Ni O2 -","- Na Ni O2 -","- Na2 Ni2 O4 -","2","0.25","","Dyer, L.D.; Borie, B.S.; Smith, G.P.","Alkali metal-nickel oxides of the type M Ni O2","Journal of the American Chemical Society","1954","76","","1499","1503","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124639","4.5168","","4.5168","","3.0205","","90","","90","","90","","61.623","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Mg H2","","- H2 Mg -","- H2 Mg -","- H4 Mg2 -","2","0.125","","Ellinger, F.H.; Holley, C.E.jr.; McInteer, B.B.; Pavone, D.; Potter, R.M.; Zachariasen, W.H.; Staritzky, E.","The Preparation and Some Properties of Magnesium Hydride","Journal of the American Chemical Society","1955","77","","2647","2648","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124640","5.794","","5.113","","9.919","","90","","90","","90","","293.848","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","((H2 N) N2) (Sb F6)","","- F6 H2 N3 Sb -","- F6 H2 N3 Sb -","- F12 H4 N6 Sb2 -","2","0.5","","Christe, K.O.; Wilson, W.W.; Dixon, D.A.; Lu, R.; Khan, S.I.; Bau, R.; Metzenthin, T.","The aminodiazonium cation, H2 N3+","Journal of the American Chemical Society","1993","115","","1836","1843","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124641","4.485","","3.767","","8.452","","90","","106.43","","90","","136.966","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","S2 N2","","- N2 S2 -","- N2 S2 -","- N4 S4 -","2","0.5","","Cohen, M.J.; Mikulski, C.M.; Garito, A.F.; Heeger, A.J.; MacDiarmid, A.G.; Saran, M.S.; Kleppinger, J.","Solid state polymerization of S2 N2 to (SN)x","Journal of the American Chemical Society","1976","98","","3844","3848","","","","","","","","","","","","","","","","","","","","","","has coordinates","163685","2020-10-21","18:00:00",""
"4124642","8.359","","11.309","","8.862","","90","","97","","90","","831.498","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Fe3 (C O)12","","- C12 Fe3 O12 -","- C12 Fe3 O12 -","- C48 Fe12 O48 -","4","1","","Cotton, F.A.; Troup, J.M.","Further refinement of the molecular structure of triiron dodecacarbonyl","Journal of the American Chemical Society","1974","96","","4155","4159","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124643","12.228","","9.634","","6.925","","112.83","","91.28","","97.38","","743.33","","","","","","","","","","","","","5","P -1","-P 1","2","","H W2 (C O)9 N O","","- C9 H N O10 W2 -","- C9 H N O10 W2 -","- C18 H2 N2 O20 W4 -","2","1","","Olsen, J.P.; Koetzle, T.F.; Tipton, D.L.; Kirtley, S.W.; Andrews, M.; Bau, R.","X-ray and neutron diffraction studies on mue-hydrido-nonacarbonyl (nitrosyl)ditungsten H W2 (C O)9 (N O). Evidence for a closed three-center metal-hydrogen-metal bond","Journal of the American Chemical Society","1974","96","","6621","6627","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124644","5.05","","5.05","","5.05","","90","","90","","90","","128.788","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Pa O2","","- O2 Pa -","- O2 Pa -","- O8 Pa4 -","4","0.0208333","","Elson, R.; Zachariasen, W.H.; Sellers, P.A.; Fried, S.","The tetravalent and pentavalent states of protactinium","Journal of the American Chemical Society","1950","72","","5791","5791","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124645","20.067","","20.067","","13.411","","90","","90","","90","","5400.4","","","","","","","","","","","","","2","I -4 m 2","I -4 -2","119","","Si O2","","- O2 Si -","- O2 Si -","- O192 Si96 -","96","6","","Fyfe, C.A.; Strobl, H.; Gies, H.; Kokotailo, G.T.; Pasztor, C.; Cox, D.E.","Detailed investigation of the lattice structure of zeolite ZSM-11 by a combination of solid-state NMR and synchroton x-ray diffraction","Journal of the American Chemical Society","1989","111","","2470","2474","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124646","5.95","","5.95","","7.47","","90","","90","","120","","229.026","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ba3 Sr Ta2 O9","","- Ba3 O9 Sr Ta2 -","- Ba3 O9 Sr Ta2 -","- Ba3 O9 Sr Ta2 -","1","0.0833333","","Galasso, F.; Katz, L.; Barrante, J.R.","Alkaline earth-tantalum-oxygen phases including the crystal structure of an ordered perovskite compound, Ba3 Sr Ta2 O9","Journal of the American Chemical Society","1961","83","","2830","2832","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124647","3.99","","3.99","","5.66","","90","","90","","120","","78.036","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Rh Te -","- Rh Te -","- Rh2 Te2 -","2","0.0833333","","Geller, S.","The Crystal Structures of Rh Te and Rh Te2","Journal of the American Chemical Society","1955","77","","2641","2644","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124648","6.441","","6.441","","6.441","","90","","90","","90","","267.214","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Rh Te2 -","- Rh Te2 -","- Rh4 Te8 -","4","0.166667","","Geller, S.","The Crystal Structures of Rh Te and Rh Te2","Journal of the American Chemical Society","1955","77","","2641","2644","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124649","5.59","","5.59","","4.82","","90","","90","","120","","130.437","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ba (Co O3)","","- Ba Co O3 -","- Ba Co O3 -","- Ba2 Co2 O6 -","2","0.0833333","","Gushee, B.E.; Katz, L.; Ward, R.","The preparation of a barium cobalt oxide and other phases with similar structures","Journal of the American Chemical Society","1957","79","","5601","5603","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124650","7.79","","7.5","","7.8","","90","","91.33","","90","","455.592","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K (Cr O3 Cl)","","- Cl Cr K O3 -","- Cl Cr K O3 -","- Cl4 Cr4 K4 O12 -","4","1","","Helmholz, L.; Foster, W.R.","The crystal structure of potassium chlorochromate, K Cr O3 Cl","Journal of the American Chemical Society","1950","72","","4971","4974","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124651","8.84","","14.05","","6.83","","90","","86.57","","90","","846.78","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(K2 (Nb F5 O)) (K H F2)","","- F7 H K3 Nb O -","- F7 H K3 Nb O -","- F28 H4 K12 Nb4 O4 -","4","0.5","","Hoard, J.L.; Martin, W.J.","Structures of complex fluorides. the stereochemistry of some fluocolumbate and oxyfluocolumbate complexes. the crystal structure of potassium oxyfluocolumbate-potassium bifluoride, (K2 Cb O F5) (K H F2)","Journal of the American Chemical Society","1941","63","","11","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124652","8.04","","8.04","","5.845","","90","","90","","90","","377.83","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","(N H4)3 Si F6 F","","- F7 H12 N3 Si -","- F7 H12 N3 Si -","- F14 H24 N6 Si2 -","2","0.125","","Hoard, J.L.; Williams, M.B.","Structures of Complex Fluorides. Ammonium Hexafluosilicate-Ammonium Fluoride, (N H4)2 Si F6 (N H4) F","Journal of the American Chemical Society","1942","64","","633","637","","","","","","","","","","","","","","","","","","","","","","has coordinates","189055","2020-10-21","18:00:00",""
"4124653","11.52","","5.38","","11.21","","90","","120.92","","90","","596.032","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Na3 (Ta F8)","","- F8 Na3 Ta -","- F8 Na3 Ta -","- F32 Na12 Ta4 -","4","0.5","","Hoard, J.L.; Whitney, J.F.; Martin, W.J.; Smith, M.E.","Structures of complex fluorides. the structure of sodium octafluorotantalate, Na3 Ta F8","Journal of the American Chemical Society","1954","76","","3820","3823","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124654","5.255","","5.255","","5.048","","90","","90","","90","","139.401","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","(N H3) (B H3)","","- B H6 N -","- B N -","- B2 N2 -","2","0.125","","Hughes, E.W.","The Crystal Structure of Ammonia-Borane, H3 N B H3","Journal of the American Chemical Society","1956","78","","502","503","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124655","6.53","","4.24","","6.56","","90","","104","","90","","176.233","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Th C2","","- C2 Th -","- C2 Th -","- C8 Th4 -","4","0.5","","Hunt, E.B.; Rundle, R.E.","The structure of thorium dicarbide by X-ray and neutron diffraction","Journal of the American Chemical Society","1951","73","","4777","4781","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124656","3.985","","3.985","","4.22","","90","","90","","120","","58.036","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Th Si2","","- Si2 Th -","- Si2 Th -","- Si2 Th -","1","0.0416667","","Jacobson, E.L.; Freeman, R.D.; Tharp, W.G.; Searcy, A.W.","Preparation, identification and chemical properties of the thorium silicides","Journal of the American Chemical Society","1956","78","","4850","4852","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124657","5.89","","7.88","","4.15","","90","","90","","90","","192.615","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","Th Si","","- Si Th -","- Si Th -","- Si4 Th4 -","4","0.5","","Jacobson, E.L.; Tharp, A.G.; Freeman, R.D.; Searcy, A.W.","Preparation, Identification and Chemical Properties of the Thorium Silicides","Journal of the American Chemical Society","1956","78","","4850","4852","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124658","7.835","","7.835","","4.154","","90","","90","","90","","255.003","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","Th3 Si2","","- Si2 Th3 -","- Si2 Th3 -","- Si4 Th6 -","2","0.125","","Jacobson, E.L.; Freeman, R.D.; Tharp, A.G.; Searcy, A.W.","Preparation, identification and chemical properties of the thorium silicides","Journal of the American Chemical Society","1956","78","","4850","4852","","","","","","","","","","","","","","","","","","","","","","has coordinates","165635","2020-10-21","18:00:00",""
"4124659","5.666","","5.666","","5.666","","54.72","","54.72","","54.72","","112.803","","","","","","","","","","","","","2","R -3 c :R","-P 3* 2n","167","","Mo F3","","- F3 Mo -","- F3 Mo -","- F6 Mo2 -","2","0.166667","","la Valle, D.E.; Steele, R.M.; Wilkinson, M.K.; Yakel, H.L.jr.","The preparation and crystal structure of molybdenum(III) fluoride","Journal of the American Chemical Society","1960","82","","2433","2434","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124660","3.8934","","3.8934","","6.717","","90","","90","","120","","88.179","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Sm2 O2 S","","- O2 S Sm2 -","- O2 S Sm2 -","- O2 S Sm2 -","1","0.0833333","","Eick, H.","The preparation, lattice parameters and some chemical properties of the rare earth mono-thio oxides","Journal of the American Chemical Society","1958","80","","43","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124661","3.747","","3.747","","6.538","","90","","90","","120","","79.496","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Tm2 O2 S","","- O2 S Tm2 -","- O2 S Tm2 -","- O2 S Tm2 -","1","0.0833333","","Eick, H.","The preparation, lattice parameters and some chemical properties of the rare earth mono-thio oxides","Journal of the American Chemical Society","1958","80","","43","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124662","3.946","","3.946","","6.79","","90","","90","","120","","91.562","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Nd2 O2 S -","- Nd2 O2 S -","- Nd2 O2 S -","1","0.0833333","","Eick, H.","The preparation, lattice parameters and some chemical properties of the rare earth mono-thio oxides","Journal of the American Chemical Society","1958","80","","43","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124663","5.032","","5.032","","5.032","","90","","90","","90","","127.415","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Sm O","","- O Sm -","- O Sm -","- O4 Sm4 -","4","0.0208333","","Ellinger, F.H.","The crystal structure of samarium metal and of samarium monoxide","Journal of the American Chemical Society","1953","75","","5650","5650","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124664","5.131","","5.131","","5.131","","90","","90","","90","","135.085","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Ir Nb3 -","- Ir Nb3 -","- Ir2 Nb6 -","2","0.0416667","","Geller, S.; Matthias, B.T.; Goldstein, R.","Some new intermetallic compounds with the beta-wolfram structure","Journal of the American Chemical Society","1955","77","","1502","1504","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124665","5.121","","5.121","","5.121","","90","","90","","90","","134.296","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Nb3 Os -","- Nb3 Os -","- Nb6 Os2 -","2","0.0416667","","Geller, S.; Goldstein, R.; Matthias, B.T.","Some new intermetallic compounds with the beta-wolfram structure","Journal of the American Chemical Society","1955","77","","1502","1504","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124666","3.947","","3.947","","4.988","","90","","90","","90","","77.707","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Pb O","","- O Pb -","- O Pb -","- O2 Pb2 -","2","0.125","","Moore, W.J.; Pauling, L.","The crystal structures of the tetragonal monoxides of lead, tin, palladium, and platinum","Journal of the American Chemical Society","1941","63","","1392","1394","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124667","3.796","","3.796","","4.816","","90","","90","","90","","69.397","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Sn O","","- O Sn -","- O Sn -","- O2 Sn2 -","2","0.125","","Moore, W.J.; Pauling, L.","The Crystal Structures of the Tetragonal Monoxides of Lead, Tin, Palladium, and Platinum","Journal of the American Chemical Society","1941","63","","1392","1394","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124668","3.02","","3.02","","5.31","","90","","90","","90","","48.429","","","","","","","","","","","","","2","P 42/m m c","-P 4c 2","131","","Pd O","","- O Pd -","- O Pd -","- O2 Pd2 -","2","0.125","","Moore, W.J.; Pauling, L.","The crystal structures of the tetragonal monoxides of lead, tin, palladium, and platinum","Journal of the American Chemical Society","1941","63","","1392","1394","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124669","3.04","","3.04","","5.34","","90","","90","","90","","49.35","","","","","","","","","","","","","2","P 42/m m c","-P 4c 2","131","","Pt O","","- O Pt -","- O Pt -","- O2 Pt2 -","2","0.125","","Moore, W.J.; Pauling, L.","The crystal structures of the tetragonal monoxides of lead, tin, palladium, and platinum","Journal of the American Chemical Society","1941","63","","1392","1394","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124670","4.775","","4.775","","4.775","","90","","90","","90","","108.873","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Re Si -","- Re Si -","- Re4 Si4 -","4","0.333333","","McNees, R.A.; Searcy, A.W.","The Crystal Structure of Rhenium Monosilicide","Journal of the American Chemical Society","1955","77","","5290","5291","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124671","9.87","","13.03","","4.44","","90","","90","","90","","571.011","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Se (S C N)2","","- C2 N2 S2 Se -","- C2 N2 S2 Se -","- C8 N8 S8 Se4 -","4","0.5","","Ohlberg, S.M.; Vaughan, P.A.","The Crystal Structure of Selenium Dithiocyanate","Journal of the American Chemical Society","1954","76","","2649","2651","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124672","7.49","","7.49","","8.01","","90","","90","","120","","389.159","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Sb Cl5","","- Cl5 Sb -","- Cl5 Sb -","- Cl10 Sb2 -","2","0.0833333","","Ohlberg, S.M.","The crystal structure of antimony pentachloride at -30 C","Journal of the American Chemical Society","1959","81","","811","813","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124673","12.32","","12.32","","12.32","","90","","90","","90","","1869.96","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Na12 (Al12 Si12 O48)","","- Al12 Na12 O48 Si12 -","- Al12 Na11.996 O48 Si12 -","- Al12 Na11.996 O48 Si12 -","1","0.0208333","","Reed, T.B.; Breck, D.W.","Crystalline zeolites. II. Crystal structure of synthetic zeolite, type A","Journal of the American Chemical Society","1956","78","","5972","5977","","","","","","","","","","","","","","","","","","","","","","has coordinates","167125","2020-10-21","18:00:00",""
"4124674","12.33","","12.33","","12.33","","90","","90","","90","","1874.52","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Tl8 Na4 (Al12 Si12 O48)","","- Al12 Na4 O48 Si12 Tl8 -","- Al12 Na3.996 O48 Si12 Tl8 -","- Al12 Na3.996 O48 Si12 Tl8 -","1","0.0208333","","Reed, T.B.; Breck, D.W.","Crystalline zeolites. II. Crystal structure of synthetic zeolite, type A","Journal of the American Chemical Society","1956","78","","5972","5977","","","","","","","","","","","","","","","","","","","","","","has coordinates","167126","2020-10-21","18:00:00",""
"4124675","12.04","","12.04","","12.04","","90","","90","","90","","1745.34","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Li8 Na4 ((Al O2)12 (Si O2)12)","","- Al12 Li8 Na4 O48 Si12 -","- Al12 Li8 Na3.996 O48 Si12 -","- Al12 Li8 Na3.996 O48 Si12 -","1","0.0208333","","Reed, T.B.; Breck, D.W.","Crystalline zeolites. II. Crystal structure of synthetic zeolite, type A","Journal of the American Chemical Society","1956","78","","5972","5977","","","","","","","","","","","","","","","","","","","","","","has coordinates","167127","2020-10-21","18:00:00",""
"4124676","5.536","","5.869","","7.731","","90","","90","","90","","251.186","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- H I O3 -","- I O3 -","- I4 O12 -","4","1","","Rogers, M.T.; Helmholz, L.","The crystal structure of iodic acid","Journal of the American Chemical Society","1941","63","","278","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124677","11.51","","10.38","","12.83","","90","","107.75","","90","","1459.88","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Na2 (S O4) (H2 O)10","","- H20 Na2 O14 S -","- Na2 O14 S -","- Na8 O56 S4 -","4","1","","Ruben, H.; Templeton, D.H.; Rosenstein, R.D.; Olovsson, I.","Crystal structure and entropy of sodium sulfate decahydrate","Journal of the American Chemical Society","1961","83","","820","824","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124678","8.37","","8.37","","5.061","","90","","90","","90","","354.558","","","","","","","","","","","","","2","P 42/m b c","-P 4c 2ab","135","","Se O2","","- O2 Se -","- O2 Se -","- O16 Se8 -","8","0.5","","McCullough, J.D.","The crystal structure of selenium dioxide","Journal of the American Chemical Society","1937","59","","789","794","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124679","3.87","","3.87","","12.74","","90","","90","","90","","190.806","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Sr2 (U O4)","","- O4 Sr2 U -","- O4 Sr2 U -","- O8 Sr4 U2 -","2","0.0625","","Randall, J.","The preparation of some ternary oxides of the platinum metals","Journal of the American Chemical Society","1959","81","","2629","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124680","4.88","","4.88","","4.88","","90","","90","","90","","116.214","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","U N","","- N U -","- N U -","- N4 U4 -","4","0.0208333","","Rundle, R.E.; Wilson, A.S.; Baenziger, N.C.; McDonald, R.A.","The structures of the carbides, nitrides and oxides of uranium","Journal of the American Chemical Society","1948","70","","99","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124681","10.699","","10.699","","10.699","","90","","90","","90","","1224.7","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","U2 N3","","- N3 U2 -","- N3 U2 -","- N48 U32 -","16","0.333333","","Rundle, R.E.; Baenziger, N.C.; McDonald, R.A.; Wilson, A.S.","The structures of the carbides, nitrides and oxides of uranium","Journal of the American Chemical Society","1948","70","","99","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","167805","2020-10-21","18:00:00",""
"4124682","4.315","","4.315","","6.99","","90","","90","","90","","130.148","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Xe F2","","- F2 Xe -","- F2 Xe -","- F4 Xe2 -","2","0.0625","","Siegel, S.; Gebert, E.","Crystallographic studies of Xe F2 and Xe F4","Journal of the American Chemical Society","1963","85","","240","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124683","3.8605","","3.8605","","3.8605","","90","","90","","90","","57.535","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Cr H2 -","- Cr H2 -","- Cr4 H8 -","4","0.0208333","","Snavely, C.A.; Vaughan, D.A.; Dale, A.","Unit cell dimension of face-centered cubic chromium hydride and space groups of two chromium hydrides","Journal of the American Chemical Society","1949","71","","313","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124684","5.26","","5.26","","5.26","","90","","90","","90","","145.532","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Yb H2","","- H2 Yb -","- H2 Yb -","- H8 Yb4 -","4","0.0208333","","Warf, J.C.; Hardcastle, K.","A higher hydride of ytterbium","Journal of the American Chemical Society","1961","83","","2206","2207","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124685","6.22","","6.22","","4.47","","90","","90","","120","","149.768","","","","","","","","","","","","","2","P -6 2 m","P -6 -2","189","","","","- Na2 O2 -","- Na2 O2 -","- Na6 O6 -","3","0.25","","Tallman, R.L.; Margrave, J.L.; Bailey, S.W.","The crystal structure of sodium peroxide","Journal of the American Chemical Society","1957","79","","2979","2980","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124686","10.445","","10.445","","10.445","","90","","90","","90","","1139.53","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","K2 (Re Br6)","","- Br6 K2 Re -","- Br6 K2 Re -","- Br24 K8 Re4 -","4","0.0208333","","Templeton, D.H.; Dauben, C.H.","The crystal structure of potassium bromorhenate(IV)","Journal of the American Chemical Society","1951","73","","4492","4493","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124687","4","","4","","6.78","","90","","90","","90","","108.48","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Am O Cl","","- Am Cl O -","- Am Cl O -","- Am2 Cl2 O2 -","2","0.125","","Templeton, D.H.; Dauben, C.H.","Crystal Structures of Americium Compounds","Journal of the American Chemical Society","1953","75","","4560","4562","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124688","11.03","","11.03","","11.03","","90","","90","","90","","1341.92","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- Am2 O3 -","- Am2 O3 -","- Am32 O48 -","16","0.333333","","Templeton, D.H.; Dauben, C.H.","Crystal Structures of Americium Compounds","Journal of the American Chemical Society","1953","75","","4560","4562","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124689","5.05","","5.922","","5.771","","90","","99.6","","90","","170.171","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","Xe F4","","- F4 Xe -","- F4 Xe -","- F8 Xe2 -","2","0.5","","Templeton, D.H.; Zalkin, A.; Williamson, S.M.; Forrester, J.D.","Crystal and molecular structure of xenon tetrafluoride","Journal of the American Chemical Society","1963","85","","242","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124690","6.163","","8.115","","5.234","","90","","90","","90","","261.767","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","Xe O3","","- O3 Xe -","- O3 Xe -","- O12 Xe4 -","4","1","","Templeton, D.H.; Zalkin, A.; Forrester, J.D.; Williamson, S.W.","Crystal and Molecular Structure of Xenon Trioxide","Journal of the American Chemical Society","1963","85","","817","817","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124691","24.45","","24.45","","24.45","","90","","90","","90","","14616.3","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Ni28.9 Si133 Al59 O384 (H2 O)24","","- Al59 H48 Ni28.9 O408 Si133 -","- Al59.0016 Ni28.88 O408 Si132.998 -","- Al59.0016 Ni28.88 O408 Si132.998 -","1","0.00520833","","Simpson, H.D.; Steinfink, H.","An X-Ray diffraction study of the zeolite complex m-dichlorbenzene nickel faujasite","Journal of the American Chemical Society","1969","91","","6225","6229","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124692","5.82","","5.82","","4.79","","90","","90","","120","","140.512","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Rb2 Ge F6","","- F6 Ge Rb2 -","- F6 Ge Rb2 -","- F6 Ge Rb2 -","1","0.0833333","","Vincent, W.B.; Hoard, J.L.","Structures of Complex Fluorides. Rubidium Hexafluorogermanate","Journal of the American Chemical Society","1942","64","","1233","1234","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124693","6.99","","6.99","","6.99","","90","","90","","90","","341.532","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Cu2 Mg -","- Cu2 Mg -","- Cu16 Mg8 -","8","0.0416667","","Friauf, J.B.","The structure of two intermetallic compounds","Journal of the American Chemical Society","1927","49","","3107","3114","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124694","7.83456","0.00019","7.83456","0.00019","5.00875","0.00015","90","","90","","90","","307.439","0.014","300","","300","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier","Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor","Journal of the American Chemical Society","2015","137","39","12494","12497","10.1021/jacs.5b08315","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.02","1.163","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124695","7.79644","0.00042","7.79644","0.00042","5.0119","0.00031","90","","90","","90","","304.65","0.03","300","","300","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Al Ca4 Mg1.5 O14 Si3.5 -","- Al Ca4 Mg1.5 O14 Si3.5 -","- Al Ca4 Mg1.5 O14 Si3.5 -","1","0.125","","Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier","Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor","Journal of the American Chemical Society","2015","137","39","12494","12497","10.1021/jacs.5b08315","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.42","1.215","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124696","7.73707","0.0009","7.73707","0.0009","5.02948","0.00065","90","","90","","90","","301.08","0.06","300","","300","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Al2 Ca4 Mg O14 Si3 -","- Al2 Ca4 Mg O14 Si3 -","- Al2 Ca4 Mg O14 Si3 -","1","0.125","","Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier","Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor","Journal of the American Chemical Society","2015","137","39","12494","12497","10.1021/jacs.5b08315","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.1","1.419","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124697","5.6","","5.6","","12.12","","90","","90","","120","","329.162","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","B4 C","","- C B4 -","- C B4 -","- C9 B36 -","9","0.25","","Clark, H.K.; Hoard, J.L.","The crystal structure of boron carbide","Journal of the American Chemical Society","1943","65","","2115","2119","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124698","7.69191","0.00057","7.69191","0.00057","5.04831","0.00045","90","","90","","90","","298.69","0.04","300","","300","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Al3 Ca4 Mg0.5 O14 Si2.5 -","- Al3 Ca4 Mg0.5 O14 Si2.5 -","- Al3 Ca4 Mg0.5 O14 Si2.5 -","1","0.125","","Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier","Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor","Journal of the American Chemical Society","2015","137","39","12494","12497","10.1021/jacs.5b08315","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.32","1.346","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124699","7.67231","0.00034","7.67231","0.00034","5.05923","0.00027","90","","90","","90","","297.81","0.02","300","","300","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Al2 Ca2 O7 Si -","- Al2 Ca2 O7 Si -","- Al4 Ca4 O14 Si2 -","2","0.25","","Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier","Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor","Journal of the American Chemical Society","2015","137","39","12494","12497","10.1021/jacs.5b08315","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.71","1.113","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124700","14.41","","14.41","","14.41","","90","","90","","90","","2992.21","","","","","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","Ca3.95 (N D4)4.1 (Al12 Si36 O96)","","- Al12 N4.104 O96 Si36 -","- Al12 N4.104 O96 Si36 -","- Al12 N4.104 O96 Si36 -","1","0.0208333","","Corbin, D.R.; Cox, D.E.; Abrams, L.; Jones, G.A.; Harrison, W.T.A.; Eddy, M.M.; Stucky, G.D.","Flexibility of the zeolite RHO framework. In situ X-ray and neutron powder structural characterization of divalent cation-exchanged zeolite RHO","Journal of the American Chemical Society","1990","112","","4821","4830","","","","","","","","","","","","","","","","","","","","","","has coordinates","168892","2020-10-21","18:00:00",""
"4124701","14.11","","14.11","","14.11","","90","","90","","90","","2809.19","","","","","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","Ca3.95 (N D4)4.1 (Al12 Si36 O96)","","- Al12 Ca3.948 O96 Si36 -","- Al12 Ca3.948 O96 Si36 -","- Al12 Ca3.948 O96 Si36 -","1","0.0208333","","Corbin, D.R.; Abrams, L.; Stucky, G.D.; Eddy, M.M.; Harrison, W.T.A.; Jones, G.A.; Cox, D.E.","Flexibility of the zeolite RHO framework. In situ X-ray and neutron powder structural characterization of divalent cation-exchanged zeolite RHO","Journal of the American Chemical Society","1990","112","","4821","4830","","","","","","","","","","","","","","","","","","","","","","has coordinates","168895","2020-10-21","18:00:00",""
"4124702","13.9645","","13.9645","","13.9645","","90","","90","","90","","2723.18","","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","Ca3.4 D5.2 (Al12 Si36 O96)","","- Al12 Ca3.4 D5.2 O96 Si36 -","- Al12 Ca3.396 O96 Si36 -","- Al12 Ca3.396 O96 Si36 -","1","0.0208333","","Corbin, D.R.; Abrams, L.; Stucky, G.D.; Jones, G.A.; Eddy, M.M.; Harrison, W.T.A.; Cox, D.E.","Flexibility of the zeolite RHO framework. In situ X-ray and neutron powder structural characterization of divalent cation-exchanged zeolite RHO","Journal of the American Chemical Society","1990","112","","4821","4830","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124703","14.36","","10.61","","7.38","","90","","90","","90","","1124.41","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Cs2 Tl Cl5 (H2 O)","","- Cl5 Cs2 H2 O Tl -","- Cl5 Cs2 O Tl -","- Cl20 Cs8 O4 Tl4 -","4","0.5","","Watanabe, T.; Atoji, M.","Crystal Structure of Cesium pentachloromonoaquothallate, Cs2 Tl Cl5 (H2 O)","Journal of the American Chemical Society","1950","72","","3819","3820","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124704","8.87","","8.87","","8.87","","90","","90","","90","","697.864","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","K3 (Nb O F6)","","- F6 K3 Nb O -","- F6 K3 Nb O -","- F24 K12 Nb4 O4 -","4","0.0208333","","Williams, M.B.; Hoard, J.L.","Structures of complex fluorides. Potassium oxyhexafluorocolumbate, K3 Cb O F6","Journal of the American Chemical Society","1942","64","","1139","1141","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124705","6.353","","6.85","","4.393","","90","","90","","90","","191.175","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Y F3","","- F3 Y -","- F3 Y -","- F12 Y4 -","4","0.5","","Zalkin, A.; Templeton, D.H.","The crystal structure of Y F3 and related compounds","Journal of the American Chemical Society","1953","75","","2453","2458","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124706","9.049","","10.924","","15.606","","90","","90","","90","","1542.67","","","","","","","","","","","","","4","P b c 21","P 2c -2b","29","","K4 Xe O6 (H2 O)9","","- H18 K4 O15 Xe -","- K4 O15 Xe -","- K16 O60 Xe4 -","4","1","","Zalkin, A.; Forrester, J.D.; Williamson, S.M.; Templeton, D.H.; Koch, C.W.","Potassium perxenate nonahydrate","Journal of the American Chemical Society","1964","86","","3569","3571","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124707","9.26","","9.26","","5.68","","90","","90","","90","","487.046","","","","","","","","","","","","","3","P -4 21 m","P -4 2ab","113","","(P Cl4) (I Cl2)","","- Cl6 I P -","- Cl6 I P -","- Cl12 I2 P2 -","2","0.25","","Zelezny, W.F.; Baenziger, N.C.","The Crystal Structure of Tetrachlorophosphonium Dichloroiodide","Journal of the American Chemical Society","1952","74","","6151","6152","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124708","5.9002","","5.9002","","5.9002","","90","","90","","90","","205.4","","","","","","","","","","","","","3","P -4 3 m","P -4 2 3","215","","Zn (C N)2","","- C2 N2 Zn -","- C2 N2 Zn -","- C4 N4 Zn2 -","2","0.0833333","","Hoskins, B.F.; Robson, R.","Design and construction of a class of scaffolding-like materials comprising infinite polymeric frameworks of 3Dlinked molecular rods. A reappraisal of the Zn (C N)2 and Cd (C N)2 structures and the synthesis and structure of the diamond-related frame","Journal of the American Chemical Society","1990","112","","1546","1554","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124709","6.301","","6.301","","6.301","","90","","90","","90","","250.166","","","","","","","","","","","","","3","P -4 3 m","P -4 2 3","215","","Cd (C N)2","","- C2 Cd N2 -","- C2 Cd N2 -","- C4 Cd2 N4 -","2","0.0833333","","Hoskins, B.F.; Robson, R.","Design and construction of a class of scaffolding-like materials comprising infinite polymeric frameworks of 3Dlinked molecular rods. A reappraisal of the Zn (C N)2 & Cd (C N)2 structures & the synthesis & structure of the diamond-related framew","Journal of the American Chemical Society","1990","112","","1546","1554","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124710","15.71","","12.671","","10.281","","113.62","","92.56","","79.54","","1843.04","","","","","","","","","","","","","5","P -1","-P 1","2","","K10 Mn2 V22 O64 (H2 O)20","","- H40 K10 Mn2 O84 V22 -","- K10 Mn2 O84 V22 -","- K10 Mn2 O84 V22 -","1","0.5","","Ichida, H.; Nagai, K.; Sasaki, Y.; Pope, M.T.","Heteropolyvanadates Containing Two and Three Manganese(IV) Ions: Unusual Structural Features of Mn2V22O64(10-) and Mn3V12O40H3(5-)","Journal of the American Chemical Society","1989","111","","586","591","","","","","","","","","","","","","","","","","","","","","","has coordinates","169319","2020-10-21","18:00:00",""
"4124711","11.8","","16.555","","11.267","","102.91","","109.48","","86.88","","2022.07","","","","","","","","","","","","","5","P -1","-P 1","2","","K5 (H3 Mn3 V12 O40) (H2 O)8","","- H19 K5 Mn3 O48 V12 -","- K5 Mn3 O48 V12 -","- K10 Mn6 O96 V24 -","2","1","","Ichida, H.; Nagai, K.; Sasaki, Y.; Pope, M.T.","Heteropolyvanadates containing two and three manganese(IV) ions: Unusual structural features of Mn2 V22 O64(10-) and Mn3 V12 O40 H3(5-)","Journal of the American Chemical Society","1989","111","","586","591","","","","","","","","","","","","","","","","","","","","","","has coordinates","169320","2020-10-21","18:00:00",""
"4124712","2.858","","5.876","","4.955","","90","","90","","90","","83.212","","","","","","","","","","","","","1","C m c m","-C 2c 2","63","","","","- U -","- U -","- U4 -","4","0.25","","Jacob, C.W.; Warren, B.E.","The crystalline structure of uranium","Journal of the American Chemical Society","1937","59","","2588","2588","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124713","2.852","","5.865","","4.945","","90","","90","","90","","82.715","","","","","","","","","","","","","1","C m c m","-C 2c 2","63","","","","- U -","- U -","- U4 -","4","0.25","","Jacob, C.W.; Warren, B.E.","The crystalline structure of uranium","Journal of the American Chemical Society","1937","59","","2588","2591","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124714","12.803","","3.413","","21.058","","90","","95.47","","90","","915.974","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Nb3 Pd Se7","","- Nb3 Pd0.715 Se7 -","- Nb3 Pd0.715 Se7 -","- Nb12 Pd2.86 Se28 -","4","0.5","","Keszler, D.A.; Ibers, J.A.","Synthesis and structure of a new ternary chalcogenide Nb3 Pd0.72 Se7; interrelationships in the packing of prisms and planes","Journal of the American Chemical Society","1985","107","","8119","8127","","","","","","","","","","","","","","","","","","","","","","has coordinates","169458","2020-10-21","18:00:00",""
"4124715","10.7638","0.0003","6.0095","0.0001","23.2033","0.0006","90","","93.308","0.002","90","","1498.41","0.06","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O -","- C19 H26 O -","- C76 H104 O4 -","4","2","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.0397","0.0381","","","0.0946","0.0959","","","","","","1.051","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124716","13.155","0.003","8.548","0.002","23.428","0.006","90","","100.599","0.008","90","","2589.5","1.1","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H42 F3 N O4 S -","- C26 H42 F3 N O4 S -","- C104 H168 F12 N4 O16 S4 -","4","2","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","0.71073","MoKα","","0.0474","0.0422","","","0.0996","0.1025","","","","","","1.066","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124717","13.2881","0.0008","5.8915","0.0004","19.8797","0.0012","90","","92.69","0.002","90","","1554.6","0.17","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.0262","0.0261","","","0.0677","0.068","","","","","","1.068","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124718","6.2827","0.0006","7.1127","0.0006","12.6469","0.0013","91.304","0.007","91.32","0.007","115.381","0.004","510.13","0.09","100","2","100","","","","","","","","","3","P 1","P 1","1","","","","- C21 H38 O6 -","- C21 H38 O6 -","- C21 H38 O6 -","1","1","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.0453","0.041","","","0.1042","0.107","","","","","","1.064","","","","has coordinates,has disorder","170074","2020-10-21","18:00:00",""
"4124719","10.8829","0.0005","6.2007","0.0003","12.5765","0.0006","90","","114.548","0.001","90","","771.97","0.06","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C38 H52 O4 -","2","1","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.0311","0.031","","","0.0842","0.0845","","","","","","1.078","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124720","13.8633","0.0006","6.4503","0.0003","26.1395","0.0012","90","","103.365","0.003","90","","2274.15","0.18","100","2","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H41 N O2 -","- C25 H41 N O2 -","- C100 H164 N4 O8 -","4","1","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.05","0.0474","","","0.1193","0.1209","","","","","","1.095","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124721","7.2496","0.0001","10.8528","0.0002","23.5068","0.0004","90","","90","","90","","1849.48","0.05","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 -","- C21 H30 O4 -","- C84 H120 O16 -","4","1","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.0306","0.0304","","","0.0814","0.0818","","","","","","1.039","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124722","11.0362","0.0011","5.9699","0.0006","14.2914","0.0015","90","","108.041","0.003","90","","895.3","0.16","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C44 H40 O8 -","4","1","","Nath, Naba K.; Runčevski, Tomče; Lai, Chia-Yun; Chiesa, Matteo; Dinnebier, Robert E.; Naumov, Panče","Surface and Bulk Effects in Photochemical Reactions and Photomechanical Effects in Dynamic Molecular Crystals.","Journal of the American Chemical Society","2015","137","43","13866","13875","10.1021/jacs.5b07806","","","0.71073","MoKα","","0.0483","0.041","","","0.1144","0.1217","","","","","","1.063","","","","has coordinates","170075","2020-10-21","18:00:00",""
"4124723","10.938","0.005","5.933","0.003","14.23","0.006","90","","108.714","0.006","90","","874.6","0.7","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C44 H40 O8 -","4","1","","Nath, Naba K.; Runčevski, Tomče; Lai, Chia-Yun; Chiesa, Matteo; Dinnebier, Robert E.; Naumov, Panče","Surface and Bulk Effects in Photochemical Reactions and Photomechanical Effects in Dynamic Molecular Crystals.","Journal of the American Chemical Society","2015","137","43","13866","13875","10.1021/jacs.5b07806","","","0.71073","MoKα","","0.0419","0.0397","","","0.107","0.1101","","","","","","1.025","","","","has coordinates","170075","2020-10-21","18:00:00",""
"4124724","11.011","0.003","5.9502","0.0016","14.085","0.004","90","","108.736","0.005","90","","873.9","0.4","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C44 H40 O8 -","4","1","","Nath, Naba K.; Runčevski, Tomče; Lai, Chia-Yun; Chiesa, Matteo; Dinnebier, Robert E.; Naumov, Panče","Surface and Bulk Effects in Photochemical Reactions and Photomechanical Effects in Dynamic Molecular Crystals.","Journal of the American Chemical Society","2015","137","43","13866","13875","10.1021/jacs.5b07806","","","0.71073","MoKα","","0.0486","0.0335","","","0.0829","0.0882","","","","","","1.035","","","","has coordinates,has disorder","170075","2020-10-21","18:00:00",""
"4124725","11.769","0.004","6.0891","0.0019","12.403","0.004","90","","108.842","0.005","90","","841.2","0.5","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C44 H40 O8 -","2","0.5","","Nath, Naba K.; Runčevski, Tomče; Lai, Chia-Yun; Chiesa, Matteo; Dinnebier, Robert E.; Naumov, Panče","Surface and Bulk Effects in Photochemical Reactions and Photomechanical Effects in Dynamic Molecular Crystals.","Journal of the American Chemical Society","2015","137","43","13866","13875","10.1021/jacs.5b07806","","","0.71073","MoKα","","0.0378","0.0357","","","0.0977","0.1003","","","","","","1.025","","","","has coordinates","170075","2020-10-21","18:00:00",""
"4124726","5.5752","0.0004","15.0262","0.001","21.0896","0.0013","90","","90","","90","","1766.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-3,10-dichloro-6-cyclohexyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole","","- C21 H19 Cl2 N O -","- C21 H19 Cl2 N O -","- C84 H76 Cl8 N4 O4 -","4","1","","Li, Hongming; Belyk, Kevin M.; Yin, Jingjun; Chen, Qinghao; Hyde, Alan; Ji, Yining; Oliver, Steven; Tudge, Matthew T.; Campeau, Louis-Charles; Campos, Kevin R.","Enantioselective Synthesis of Hemiaminals via Pd-Catalyzed C-N Coupling with Chiral Bisphosphine Mono-oxides.","Journal of the American Chemical Society","2015","137","43","13728","13731","10.1021/jacs.5b05934","","","1.54178","CuKα","","0.0206","0.0205","","","0.0533","0.0534","","","","","","1.066","","","","has coordinates","170072","2020-10-21","18:00:00",""
"4124727","11.5618","0.0005","5.8","0.0002","13.3062","0.0005","90","","105.725","0.001","90","","858.9","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-3,10-dichloro-6-(2-methoxyphenyl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indole","","- C22 H15 Cl2 N O2 -","- C22 H15 Cl2 N O2 -","- C44 H30 Cl4 N2 O4 -","2","1","","Li, Hongming; Belyk, Kevin M.; Yin, Jingjun; Chen, Qinghao; Hyde, Alan; Ji, Yining; Oliver, Steven; Tudge, Matthew T.; Campeau, Louis-Charles; Campos, Kevin R.","Enantioselective Synthesis of Hemiaminals via Pd-Catalyzed C-N Coupling with Chiral Bisphosphine Mono-oxides.","Journal of the American Chemical Society","2015","137","43","13728","13731","10.1021/jacs.5b05934","","","1.54178","CuKα","","0.023","0.0224","","","0.0561","0.0564","","","","","","1.067","","","","has coordinates","170072","2020-10-21","18:00:00",""
"4124728","11.0856","0.0008","10.9931","0.0007","21.701","0.0016","90","","93.53","0.002","90","","2639.6","0.3","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 B10 F3 N O -","- C23 H26 B10 F3 N O -","- C92 H104 B40 F12 N4 O4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","An Unprecedented Formal [5 + 2] Cycloaddition of Nitrones with o-Carboryne via Tandem [3 + 2] Cycloaddition/Oxygen Migration/Aromatization Sequence.","Journal of the American Chemical Society","2015","137","43","13938","13942","10.1021/jacs.5b09074","","","0.71073","MoKα","","0.0681","0.0555","","","0.1556","0.1691","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124729","10.8677","0.0011","11.0938","0.0012","17.548","0.0017","90","","102.555","0.006","90","","2065.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 B10 N O -","- C17 H25 B10 N O -","- C68 H100 B40 N4 O4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","An Unprecedented Formal [5 + 2] Cycloaddition of Nitrones with o-Carboryne via Tandem [3 + 2] Cycloaddition/Oxygen Migration/Aromatization Sequence.","Journal of the American Chemical Society","2015","137","43","13938","13942","10.1021/jacs.5b09074","","","0.71073","MoKα","","0.0682","0.05","","","0.1334","0.1471","","","","","","1.031","","","","has coordinates","170076","2020-10-21","18:00:00",""
"4124730","8.7181","0.0007","12.4706","0.0009","15.3735","0.0013","90","","90","","90","","1671.4","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O5 -","- C17 H26 O5 -","- C68 H104 O20 -","4","1","","Cheng, Bichu; Trauner, Dirk","A Highly Convergent and Biomimetic Total Synthesis of Portentol.","Journal of the American Chemical Society","2015","137","43","13800","13803","10.1021/jacs.5b10009","","","0.71073","MoKα","","0.0418","0.0341","","","0.0789","0.0815","","","","","","1.074","","","","has coordinates","170073","2020-10-21","18:00:00",""
"4124731","7.0783","0.0006","14.0477","0.0013","16.4886","0.0013","90","","90","","90","","1639.5","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Cheng, Bichu; Trauner, Dirk","A Highly Convergent and Biomimetic Total Synthesis of Portentol.","Journal of the American Chemical Society","2015","137","43","13800","13803","10.1021/jacs.5b10009","","","0.71073","MoKα","","0.0581","0.0423","","","0.0908","0.0976","","","","","","1.069","","","","has coordinates","170073","2020-10-21","18:00:00",""
"4124732","7.897","0.0003","12.6031","0.0005","16.0496","0.0007","90","","90","","90","","1597.36","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O5 -","- C17 H24 O5 -","- C68 H96 O20 -","4","1","","Cheng, Bichu; Trauner, Dirk","A Highly Convergent and Biomimetic Total Synthesis of Portentol.","Journal of the American Chemical Society","2015","137","43","13800","13803","10.1021/jacs.5b10009","","","0.71073","MoKα","","0.0373","0.0305","","","0.0701","0.0729","","","","","","1.069","","","","has coordinates","170073","2020-10-21","18:00:00",""
"4124733","9.949","0.002","11.495","0.002","68.451","0.014","90","","93.205","0.004","90","","7816","3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C86 H90 N10 O14 -","- C86 H90 N10 O14 -","- C344 H360 N40 O56 -","4","1","","Kosikova, Tamara; Hassan, Nurul Izzaty; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","Orthogonal Recognition Processes Drive the Assembly and Replication of a [2]Rotaxane.","Journal of the American Chemical Society","2015","137","51","16074","16083","10.1021/jacs.5b09738","","","1.54187","CuKα","","0.276","0.1233","","","0.3259","0.4261","","","","","","1.065","","","","has coordinates","173577","2020-10-21","18:00:00",""
"4124734","9.914","0.005","11.77","0.005","73.29","0.03","90","","92.402","0.011","90","","8545","7","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C89 H89 N11 O13 -","- C89 H89 N11 O13 -","- C356 H356 N44 O52 -","4","1","","Kosikova, Tamara; Hassan, Nurul Izzaty; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","Orthogonal Recognition Processes Drive the Assembly and Replication of a [2]Rotaxane.","Journal of the American Chemical Society","2015","137","51","16074","16083","10.1021/jacs.5b09738","","","1.54187","CuKα","","0.4138","0.2461","","","0.5209","0.5897","","","","","","1.218","","","","has coordinates","173577","2020-10-21","18:00:00",""
"4124735","8.7297","0.0003","17.7981","0.0005","11.6078","0.0004","90","","99.195","0.004","90","","1780.35","0.1","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H33 Cl4 F6 O2 P Ru -","- C37 H33 Cl4 F6 O2 P Ru -","- C74 H66 Cl8 F12 O4 P2 Ru2 -","2","1","","Kossler, David; Cramer, Nicolai","Chiral Cationic Cp(x)Ru(II) Complexes for Enantioselective Yne-Enone Cyclizations.","Journal of the American Chemical Society","2015","137","39","12478","12481","10.1021/jacs.5b08232","","","1.54178","CuKα","","0.0424","0.0414","","","0.1137","0.1145","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124736","12.3765","0.001","7.7653","0.0005","15.2165","0.0013","90","","98.432","0.007","90","","1446.6","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","2","","Kossler, David; Cramer, Nicolai","Chiral Cationic Cp(x)Ru(II) Complexes for Enantioselective Yne-Enone Cyclizations.","Journal of the American Chemical Society","2015","137","39","12478","12481","10.1021/jacs.5b08232","","","0.71073","MoKα","","0.0661","0.0527","","","0.1186","0.1275","","","","","","1.125","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124737","11.2652","0.0016","11.3454","0.0016","15.177","0.002","87.375","0.002","75.015","0.002","63.975","0.002","1678.7","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H42 N2 O3 -","- C40 H42 N2 O3 -","- C80 H84 N4 O6 -","2","1","","Qin, Guiping; Li, Lixin; Li, Jiawen; Huang, Hanmin","Palladium-Catalyzed Formal Insertion of Carbenoids into Aminals via C-N Bond Activation.","Journal of the American Chemical Society","2015","137","39","12490","12493","10.1021/jacs.5b08476","","","0.71073","MoKα","","0.0606","0.0462","","","0.1307","0.144","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124738","16.7904","0.0004","28.5177","0.0007","74.7861","0.0017","90","","90","","90","","35809.3","1.5","100","0.2","100","0.2","","","","","","","","6","F d d d","-F 2uv 2vw","70","('delta'4)-(P4)-5","","","- C78 H64 Ag2 F12 N8 P2 -","- C0 H0 Ag0 F12 N0 P2 -","- C0 H0 Ag0 F192 N0 P32 -","16","","","Gidron, Ori; Jirásek, Michael; Trapp, Nils; Ebert, Marc-Olivier; Zhang, Xiangyang; Diederich, François","Homochiral [2]Catenane and Bis[2]catenane from Alleno-Acetylenic Helicates - A Highly Selective Narcissistic Self-Sorting Process.","Journal of the American Chemical Society","2015","137","39","12502","12505","10.1021/jacs.5b08649","","x-ray","1.54178","CuKα","","0.1385","0.1032","","","0.3156","0.3451","","","","","","1.378","","","","has coordinates,has disorder","170010","2020-10-21","18:00:00",""
"4124739","15.0291","0.001","7.731","0.0005","12.7431","0.0009","90","","90","","90","","1480.62","0.17","90","2","90","2","","","","","","","","2","P m n 21","P 2ac -2","31","","","","- Sb7 Zn8 -","- Sb7 Zn8 -","- Sb28 Zn32 -","4","1","","Wang, Jian; Kovnir, Kirill","Elusive β-Zn8Sb7: A New Zinc Antimonide Thermoelectric.","Journal of the American Chemical Society","2015","137","39","12474","12477","10.1021/jacs.5b08214","","","0.71073","MoKα","","0.0476","0.0461","","","0.1172","0.1177","","","","","","1.34","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124740","11.275","0.002","14.152","0.003","14.267","0.003","70.822","0.002","80.649","0.002","82.759","0.002","2115.1","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","NiGaL","","","- C39 H60 Ga N4 Ni P3 -","- C39 H60 Ga N4 Ni P3 -","- C78 H120 Ga2 N8 Ni2 P6 -","2","1","","Cammarota, Ryan C.; Lu, Connie C.","Tuning Nickel with Lewis Acidic Group 13 Metalloligands for Catalytic Olefin Hydrogenation.","Journal of the American Chemical Society","2015","137","39","12486","12489","10.1021/jacs.5b08313","","","0.71073","MoKα","","0.0778","0.0566","","","0.1653","0.1747","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124741","10.879","0.002","10.879","0.002","21.208","0.004","90","","90","","120","","2173.7","0.7","123","2","123","2","","","","","","","","6","P -3","-P 3","147","NiInL","","","- C39 H60 In N4 Ni P3 -","- C39 H60 In N4 Ni P3 -","- C78 H120 In2 N8 Ni2 P6 -","2","0.333333","","Cammarota, Ryan C.; Lu, Connie C.","Tuning Nickel with Lewis Acidic Group 13 Metalloligands for Catalytic Olefin Hydrogenation.","Journal of the American Chemical Society","2015","137","39","12486","12489","10.1021/jacs.5b08313","","","0.71073","MoKα","","0.0774","0.0489","","","0.1045","0.1131","","","","","","0.977","","","","has coordinates","170012","2020-10-21","18:00:00",""
"4124742","12.2182","0.0004","14.558","0.0005","22.5759","0.0008","90","","90","","90","","4015.6","0.2","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","H2NiInL","","","- C39 H62 In N4 Ni P3 -","- C39 H62 In N4 Ni P3 -","- C156 H248 In4 N16 Ni4 P12 -","4","1","","Cammarota, Ryan C.; Lu, Connie C.","Tuning Nickel with Lewis Acidic Group 13 Metalloligands for Catalytic Olefin Hydrogenation.","Journal of the American Chemical Society","2015","137","39","12486","12489","10.1021/jacs.5b08313","","","1.54178","CuKα","","0.0192","0.0183","","","0.045","0.0454","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124743","14.8145","0.0003","14.4294","0.0003","22.8207","0.0004","90","","95.67","0.001","90","","4854.38","0.16","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","N2NiInL","","","- C46 H68 In N6 Ni P3 -","- C46 H68 In N6 Ni P3 -","- C184 H272 In4 N24 Ni4 P12 -","4","1","","Cammarota, Ryan C.; Lu, Connie C.","Tuning Nickel with Lewis Acidic Group 13 Metalloligands for Catalytic Olefin Hydrogenation.","Journal of the American Chemical Society","2015","137","39","12486","12489","10.1021/jacs.5b08313","","","1.54178","CuKα","","0.0605","0.0547","","","0.1466","0.1518","","","","","","1.027","","","","has coordinates","170012","2020-10-21","18:00:00",""
"4124744","11.2547","0.0003","15.0048","0.0004","15.2915","0.0004","90","","105.226","0.002","90","","2491.7","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 Cl2 N3 -","- C26 H33 Cl2 N3 -","- C104 H132 Cl8 N12 -","4","1","","Shi, Yanrong; Frattarelli, David; Watanabe, Naoki; Facchetti, Antonio; Cariati, Elena; Righetto, Stefania; Tordin, Elisa; Zuccaccia, Cristiano; Macchioni, Alceo; Wegener, Staci L.; Stern, Charlotte L.; Ratner, Mark A.; Marks, Tobin J.","Ultra-High-Response, Multiply Twisted Electro-optic Chromophores: Influence of π-System Elongation and Interplanar Torsion on Hyperpolarizability.","Journal of the American Chemical Society","2015","137","39","12521","12538","10.1021/jacs.5b04636","","","1.54178","CuKα","","0.0751","0.0492","","","0.1244","0.1407","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124745","13.8106","0.0002","9.723","0.0002","23.6765","0.0004","90","","99.931","0.001","90","","3131.65","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H47 N3 -","- C37 H33 N3 -","- C148 H132 N12 -","4","1","","Shi, Yanrong; Frattarelli, David; Watanabe, Naoki; Facchetti, Antonio; Cariati, Elena; Righetto, Stefania; Tordin, Elisa; Zuccaccia, Cristiano; Macchioni, Alceo; Wegener, Staci L.; Stern, Charlotte L.; Ratner, Mark A.; Marks, Tobin J.","Ultra-High-Response, Multiply Twisted Electro-optic Chromophores: Influence of π-System Elongation and Interplanar Torsion on Hyperpolarizability.","Journal of the American Chemical Society","2015","137","39","12521","12538","10.1021/jacs.5b04636","","","0.71073","MoKα","","0.3477","0.0997","","","0.2677","0.3917","","","","","","0.96","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124746","8.15","0.0016","34.91","0.007","14.88","0.003","90","","104.1","0.03","90","","4106.1","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Cl0.33 N3 -","- C19.7778 H24 Cl1.33333 N1.33333 -","- C178 H216 Cl12 N12 -","9","2.25","","Shi, Yanrong; Frattarelli, David; Watanabe, Naoki; Facchetti, Antonio; Cariati, Elena; Righetto, Stefania; Tordin, Elisa; Zuccaccia, Cristiano; Macchioni, Alceo; Wegener, Staci L.; Stern, Charlotte L.; Ratner, Mark A.; Marks, Tobin J.","Ultra-High-Response, Multiply Twisted Electro-optic Chromophores: Influence of π-System Elongation and Interplanar Torsion on Hyperpolarizability.","Journal of the American Chemical Society","2015","137","39","12521","12538","10.1021/jacs.5b04636","","","0.71073","MoKα","","0.4637","0.1356","","","0.3022","0.4347","","","","","","0.819","","","","has coordinates,has disorder","170015","2020-10-21","18:00:00",""
"4124747","8.4759","0.0019","15.629","0.004","20.955","0.005","90","","97.777","0.004","90","","2750.4","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Cl2 N3 -","- C28 H36 Cl2 N3 -","- C112 H144 Cl8 N12 -","4","1","","Shi, Yanrong; Frattarelli, David; Watanabe, Naoki; Facchetti, Antonio; Cariati, Elena; Righetto, Stefania; Tordin, Elisa; Zuccaccia, Cristiano; Macchioni, Alceo; Wegener, Staci L.; Stern, Charlotte L.; Ratner, Mark A.; Marks, Tobin J.","Ultra-High-Response, Multiply Twisted Electro-optic Chromophores: Influence of π-System Elongation and Interplanar Torsion on Hyperpolarizability.","Journal of the American Chemical Society","2015","137","39","12521","12538","10.1021/jacs.5b04636","","","0.71073","MoKα","","0.1573","0.109","","","0.2798","0.3094","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124748","12.2741","0.0005","20.2397","0.0008","26.233","0.001","88.986","0.002","88.42","0.002","78.267","0.002","6377.8","0.4","100","","99.99","","","","","","","","","8","P -1","-P 1","2","","","","- C128.07 H90.04 B2 Br2 F48 Fe2 N10 O2 -","- C128 H90 B2 Br2 F48 Fe2 N10 O2 -","- C256 H180 B4 Br4 F96 Fe4 N20 O4 -","2","1","","Gaudette, Alexandra I.; Jeon, Ie-Rang; Anderson, John S.; Grandjean, Fernande; Long, Gary J.; Harris, T. David","Electron Hopping through Double-Exchange Coupling in a Mixed-Valence Diiminobenzoquinone-Bridged Fe2 Complex.","Journal of the American Chemical Society","2015","137","39","12617","12626","10.1021/jacs.5b07251","","","1.54178","CuKα","","0.1076","0.0901","","","0.2418","0.2594","","","","","","1.023","","","","has coordinates,has disorder","170017","2020-10-21","18:00:00",""
"4124749","16.461","0.006","23.978","0.009","46.22","0.02","74.978","0.012","89.07","0.015","71.113","0.009","16625","11","99.99","","99.99","","","","","","","","","9","P -1","-P 1","2","","","","- C161 H104 B3 Br2 Cl2 F72 Fe2 N10 O2 -","- C161 H104 B3 Br2 Cl2 F72 Fe2 N10 O2 -","- C644 H416 B12 Br8 Cl8 F288 Fe8 N40 O8 -","4","2","","Gaudette, Alexandra I.; Jeon, Ie-Rang; Anderson, John S.; Grandjean, Fernande; Long, Gary J.; Harris, T. David","Electron Hopping through Double-Exchange Coupling in a Mixed-Valence Diiminobenzoquinone-Bridged Fe2 Complex.","Journal of the American Chemical Society","2015","137","39","12617","12626","10.1021/jacs.5b07251","","","1.54178","CuKα","","0.2146","0.1286","","","0.2952","0.3524","","","","","","1.042","","","","has coordinates,has disorder","170018","2020-10-21","18:00:00",""
"4124750","27.7832","0.0014","27.7832","0.0014","13.6222","0.0008","90","","90","","120","","9106.3","0.8","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C38.64 H41.3 N1.5 Ni2 O14.91 -","- C38.62 H41.24 N1.5 Ni2 O14.9133 -","- C231.72 H247.44 N9 Ni12 O89.48 -","6","1","","Zhou, Zhen; He, Cheng; Xiu, Jinghai; Yang, Lu; Duan, Chunying","Metal-Organic Polymers Containing Discrete Single-Walled Nanotube as a Heterogeneous Catalyst for the Cycloaddition of Carbon Dioxide to Epoxides.","Journal of the American Chemical Society","2015","137","48","15066","15069","10.1021/jacs.5b07925","","","0.71073","MoKα","","0.2043","0.1037","","","0.2265","0.2638","","","","","","1.004","","","","has coordinates,has disorder","173579","2020-10-21","18:00:00",""
"4124751","27.593","0.003","27.593","0.003","13.6745","0.0017","90","","90","","120","","9016.5","1.8","220","2","220","2","","","","","","","","5","P -3","-P 3","147","","","","- C33 H31 N Ni2 O13 -","- C33 H31 N Ni2 O13 -","- C198 H186 N6 Ni12 O78 -","6","1","","Zhou, Zhen; He, Cheng; Xiu, Jinghai; Yang, Lu; Duan, Chunying","Metal-Organic Polymers Containing Discrete Single-Walled Nanotube as a Heterogeneous Catalyst for the Cycloaddition of Carbon Dioxide to Epoxides.","Journal of the American Chemical Society","2015","137","48","15066","15069","10.1021/jacs.5b07925","","","0.71073","MoKα","","0.1477","0.0729","","","0.144","0.1548","","","","","","0.953","","","","has coordinates,has disorder","173579","2020-10-21","18:00:00",""
"4124752","24.274","0.004","25.634","0.004","11.0898","0.0015","90","","114.924","0.01","90","","6257.9","1.7","220","2","220","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C35 H35 N Ni3 O16 -","- C35 H35 N Ni3 O16 -","- C140 H140 N4 Ni12 O64 -","4","1","","Zhou, Zhen; He, Cheng; Xiu, Jinghai; Yang, Lu; Duan, Chunying","Metal-Organic Polymers Containing Discrete Single-Walled Nanotube as a Heterogeneous Catalyst for the Cycloaddition of Carbon Dioxide to Epoxides.","Journal of the American Chemical Society","2015","137","48","15066","15069","10.1021/jacs.5b07925","","","0.71073","MoKα","","0.1481","0.0782","","","0.1577","0.177","","","","","","1.011","","","","has coordinates","173579","2020-10-21","18:00:00",""
"4124753","8.963","0.002","11.51","0.003","14.197","0.003","90","","106.158","0.008","90","","1406.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl O7 -","- C15 H13 Cl O7 -","- C60 H52 Cl4 O28 -","4","1","","Qin, Tian; Iwata, Takayuki; Ransom, Tanya T.; Beutler, John A.; Porco, Jr, John A","Syntheses of Dimeric Tetrahydroxanthones with Varied Linkages: Investigation of ""Shapeshifting"" Properties.","Journal of the American Chemical Society","2015","137","48","15225","15233","10.1021/jacs.5b09825","","","1.54178","CuKα","","0.0319","0.0307","","","0.0852","0.0895","","","","","","1.085","","","","has coordinates","173578","2020-10-21","18:00:00",""
"4124754","17.8048","0.0005","17.8048","0.0005","17.8048","0.0005","90","","90","","90","","5644.3","0.3","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","Fe-CAT-420","","","- C52 H60 Fe4 N6 O20.33 S1.73 -","- C52 H60 Fe4 N6 O20.334 S1.734 -","- C208 H240 Fe16 N24 O81.336 S6.936 -","4","0.166667","","Nguyen, Nhung T. T.; Furukawa, Hiroyasu; Gándara, Felipe; Trickett, Christopher A.; Jeong, Hyung Mo; Cordova, Kyle E.; Yaghi, Omar M.","Three-Dimensional Metal-Catecholate Frameworks and Their Ultrahigh Proton Conductivity.","Journal of the American Chemical Society","2015","137","49","15394","15397","10.1021/jacs.5b10999","","","0.7749","synchrotron","","0.0808","0.0662","","","0.18","0.1929","","","","","","1.062","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4124755","6.4071","0.0001","14.3158","0.0002","15.2126","0.0002","90","","90","","90","","1395.34","0.03","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Yang, Ze-Peng; Wu, Qing-Feng; Shao, Wen; You, Shu-Li","Iridium-Catalyzed Intramolecular Asymmetric Allylic Dearomatization Reaction of Pyridines, Pyrazines, Quinolines, and Isoquinolines.","Journal of the American Chemical Society","2015","137","50","15899","15906","10.1021/jacs.5b10440","","","1.54178","CuKα","","0.0311","0.031","","","0.0825","0.0826","","","","","","1.068","","","","has coordinates","173581","2020-10-21","18:00:00",""
"4124756","8.5387","0.0004","30.5348","0.0014","15.3867","0.0007","90","","101.251","0.0019","90","","3934.6","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H56 Cu N6 O7 -","- C39 H56 Cu N6 O7 -","- C156 H224 Cu4 N24 O28 -","4","1","","Dhar, Debanjan; Yee, Gereon M.; Spaeth, Andrew D.; Boyce, David W.; Zhang, Hongtu; Dereli, Büsra; Cramer, Christopher J.; Tolman, William B.","Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation.","Journal of the American Chemical Society","2016","138","1","356","368","10.1021/jacs.5b10985","","","1.54178","CuKα","","0.0411","0.04","","","0.1034","0.1045","","","","","","1.042","","","","has coordinates","175787","2020-10-21","18:00:00",""
"4124757","10.0248","0.0007","14.0793","0.0009","26.1018","0.0017","90","","99.111","0.003","90","","3637.6","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41 Cu N7 O6 -","- C35 H41 Cu N7 O6 -","- C140 H164 Cu4 N28 O24 -","4","1","","Dhar, Debanjan; Yee, Gereon M.; Spaeth, Andrew D.; Boyce, David W.; Zhang, Hongtu; Dereli, Büsra; Cramer, Christopher J.; Tolman, William B.","Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation.","Journal of the American Chemical Society","2016","138","1","356","368","10.1021/jacs.5b10985","","","1.54178","CuKα","","0.0763","0.0698","","","0.1758","0.181","","","","","","1.046","","","","has coordinates,has disorder","175787","2020-10-21","18:00:00",""
"4124758","10.2606","0.0002","13.1441","0.0003","26.477","0.0006","90","","97.3942","0.0009","90","","3541.16","0.13","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 Cu N5 O9 -","- C35 H47 Cu N5 O9 -","- C140 H188 Cu4 N20 O36 -","4","1","","Dhar, Debanjan; Yee, Gereon M.; Spaeth, Andrew D.; Boyce, David W.; Zhang, Hongtu; Dereli, Büsra; Cramer, Christopher J.; Tolman, William B.","Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation.","Journal of the American Chemical Society","2016","138","1","356","368","10.1021/jacs.5b10985","","","1.54178","CuKα","","0.0444","0.0416","","","0.1062","0.1083","","","","","","1.037","","","","has coordinates","175787","2020-10-21","18:00:00",""
"4124759","12.8711","0.0002","16.7852","0.0003","17.7561","0.0003","92.71","0.001","108.615","0.001","90.375","0.001","3630.4","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H94 Cu2 N10 O15 -","- C74 H94 Cu2 N10 O15 -","- C148 H188 Cu4 N20 O30 -","2","1","","Dhar, Debanjan; Yee, Gereon M.; Spaeth, Andrew D.; Boyce, David W.; Zhang, Hongtu; Dereli, Büsra; Cramer, Christopher J.; Tolman, William B.","Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation.","Journal of the American Chemical Society","2016","138","1","356","368","10.1021/jacs.5b10985","","","1.54178","CuKα","","0.0398","0.0349","","","0.0886","0.0919","","","","","","1.023","","","","has coordinates,has disorder","175787","2020-10-21","18:00:00",""
"4124760","28.2007","0.0011","10.4931","0.0004","24.5728","0.0009","90","","97.5196","0.0012","90","","7208.9","0.5","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H108 Cu2 N6 Na2 O11 -","- C67 H108 Cu2 N6 Na2 O11 -","- C268 H432 Cu8 N24 Na8 O44 -","4","0.5","","Dhar, Debanjan; Yee, Gereon M.; Spaeth, Andrew D.; Boyce, David W.; Zhang, Hongtu; Dereli, Büsra; Cramer, Christopher J.; Tolman, William B.","Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation.","Journal of the American Chemical Society","2016","138","1","356","368","10.1021/jacs.5b10985","","","1.54178","CuKα","","0.0372","0.0325","","","0.0856","0.0889","","","","","","1.052","","","","has coordinates,has disorder","175787","2020-10-21","18:00:00",""
"4124761","10.565","0.0005","13.5339","0.0006","14.0295","0.0006","94.545","0.001","106.021","0.001","102.985","0.001","1857.31","0.15","173","2","173","2","","","","","","","","6","P 1","P 1","1","14105f","","","- C34 H54 Cu N3 Na O5 -","- C34 H54 Cu N3 Na O5 -","- C68 H108 Cu2 N6 Na2 O10 -","2","2","","Dhar, Debanjan; Yee, Gereon M.; Spaeth, Andrew D.; Boyce, David W.; Zhang, Hongtu; Dereli, Büsra; Cramer, Christopher J.; Tolman, William B.","Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation.","Journal of the American Chemical Society","2016","138","1","356","368","10.1021/jacs.5b10985","","","0.71073","MoKα","","0.0525","0.0469","","","0.1262","0.1301","","","","","","1.023","","","","has coordinates,has disorder","286259","2023-09-07","06:04:45",""
"4124762","13.1917","0.0007","16.322","0.0008","19.9519","0.0012","90","","95.67","0.002","90","","4274.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bmkxr65","","","- C42 H68 N7 Nb -","- C42 H68 N7 Nb -","- C168 H272 N28 Nb4 -","4","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.0504","0.039","","","0.0963","0.1024","","","","","","1.05","","","","has coordinates,has disorder","175788","2020-10-21","18:00:00",""
"4124763","32.2869","0.0018","13.8363","0.0008","24.0429","0.0014","90","","110.578","0.003","90","","10055.4","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bmkxr64","","","- C56 H72 N5 Nb -","- C56 H72 N5 Nb -","- C448 H576 N40 Nb8 -","8","2","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.0741","0.059","","","0.143","0.1515","","","","","","1.024","","","","has coordinates","175788","2020-10-21","18:00:00",""
"4124764","13.0963","0.0005","20.4362","0.0007","21.6295","0.0007","90","","101.979","0.002","90","","5662.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bmkxr56","","","- C58 H95 N8 Nb -","- C58 H95 N8 Nb -","- C232 H380 N32 Nb4 -","4","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.0823","0.0571","","","0.1407","0.1572","","","","","","1.046","","","","has coordinates","175788","2020-10-21","18:00:00",""
"4124765","18.8907","0.001","11.1261","0.0006","21.1544","0.0011","90","","100.794","0.002","90","","4367.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bmkxr36","","","- C45 H66 N5 Nb O -","- C45 H66 N5 Nb O -","- C180 H264 N20 Nb4 O4 -","4","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.0299","0.0257","","","0.0622","0.0644","","","","","","1.068","","","","has coordinates","175788","2020-10-21","18:00:00",""
"4124766","11.1908","0.0004","17.8757","0.0007","24.6374","0.0009","90","","90.4053","0.0008","90","","4928.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bmkxr19","","","- C49.75 H76.75 N5 Nb -","- C49.735 H76.715 N5 Nb -","- C198.94 H306.86 N20 Nb4 -","4","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.0454","0.0357","","","0.073","0.0768","","","","","","1.094","","","","has coordinates","175788","2020-10-21","18:00:00",""
"4124767","12.2648","0.0005","20.8147","0.0009","17.2712","0.0007","90","","100.263","0.002","90","","4338.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bmkxr29","","","- C46 H68 N5 Nb -","- C46 H68 N5 Nb -","- C184 H272 N20 Nb4 -","4","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.03","0.0258","","","0.0594","0.0623","","","","","","1.021","","","","has coordinates","175788","2020-10-21","18:00:00",""
"4124768","19.7899","0.0015","15.6263","0.0011","17.021","0.0014","90","","103.833","0.004","90","","5111","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bmkxr60","","","- C54 H80 N5 Nb -","- C54 H80 N5 Nb -","- C216 H320 N20 Nb4 -","4","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.0844","0.0481","","","0.1011","0.1189","","","","","","1.019","","","","has coordinates,has disorder","175788","2020-10-21","18:00:00",""
"4124769","11.0636","0.0005","13.0724","0.0006","13.4439","0.0006","92.209","0.002","102.071","0.002","96.205","0.002","1886.49","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","bmkxr30","","","- C36 H59 N4 Nb Si -","- C36 H59 N4 Nb Si -","- C72 H118 N8 Nb2 Si2 -","2","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.0229","0.0211","","","0.0525","0.0535","","","","","","1.076","","","","has coordinates","175788","2020-10-21","18:00:00",""
"4124770","25.273","0.005","15.103","0.005","19.695","0.005","90","0.005","95.233","0.005","90","0.005","7486","3","121","2","121","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","VSc2N@Ih(7)-C80/Ni(OEP)/1.67C6H6/0.33CHCl3","","","- C126.5 H54.5 Cl N4 Ni Sc2 V -","- C125.825 H53.7048 Cl1.3764 N5 Ni Sc2 V -","- C503.299 H214.819 Cl5.5056 N20 Ni4 Sc8 V4 -","4","0.5","","Wei, Tao; Wang, Song; Lu, Xing; Tan, Yuanzhi; Huang, Jing; Liu, Fupin; Li, Qunxiang; Xie, Suyuan; Yang, Shangfeng","Entrapping a Group-VB Transition Metal, Vanadium, within an Endohedral Metallofullerene: VxSc3-xN@Ih-C80 (x = 1, 2).","Journal of the American Chemical Society","2016","138","1","207","214","10.1021/jacs.5b10115","","","0.71073","MoKα","","0.1395","0.1194","","","0.2844","0.298","","","","","","1.444","","","","has coordinates,has disorder","175789","2020-10-21","18:00:00",""
"4124771","25.2821","0.0015","15.1254","0.001","19.7824","0.0016","90","","94.822","0.006","90","","7538.1","0.9","100","2","100.01","0.02","","","","","","","","6","C 1 2/m 1","-C 2y","12","ScV2N@Ih(7)-C80/Ni(OEP)/2benzene;","","","- C128.5 H56 N5 Ni Sc V2 -","- C128.552 H56 N5 Ni Sc V2 -","- C514.208 H224 N20 Ni4 Sc4 V8 -","4","0.5","","Wei, Tao; Wang, Song; Lu, Xing; Tan, Yuanzhi; Huang, Jing; Liu, Fupin; Li, Qunxiang; Xie, Suyuan; Yang, Shangfeng","Entrapping a Group-VB Transition Metal, Vanadium, within an Endohedral Metallofullerene: VxSc3-xN@Ih-C80 (x = 1, 2).","Journal of the American Chemical Society","2016","138","1","207","214","10.1021/jacs.5b10115","","","1.54184","CuKα","","0.1369","0.1234","","","0.3252","0.3402","","","","","","1.339","","","","has coordinates,has disorder","175789","2020-10-21","18:00:00",""
"4124772","9.58","","9.58","","9.58","","90","","90","","90","","879.218","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","Hg2 N (O H) (H2 O)2","","- Hg2 N -","- Hg2 N -","- Hg16 N8 -","8","0.0416667","","Arora, S.D.; Lipscomb, W.N.; Sneed, M.C.","Some aspects of reactions between ammonia and mercury(I) compounds","Journal of the American Chemical Society","1951","73","","1015","1017","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124773","18.23818","","18.23818","","10.212","","90","","90","","56.3717","","2828.36","","","","","","","","","","","","","8","P 1","P 1","1","","(Rb2 Ga9 (P O4)8 (H P O4) F7) (H2 C6 H12 (N H2)2)2 (H2 O)4.5","","- C12 H46 F7 Ga9 N4 O40.5 P9 Rb2 -","- C12 H46 F7 Ga9 N4 O40.5 P9 Rb2 -","- C24 H92 F14 Ga18 N8 O81 P18 Rb4 -","2","2","","Beitone, L.; Marrot, J.; Taulelle, F.; Loiseau, T.; Henry, M.; Huguenard, C.; Ferey, G.; Gansmuller, A.","MIL-50, an open-framework Ga P O with a periodic pattern of small water ponds and dry rubidium atoms: a combined XRD, NMR and computational study","Journal of the American Chemical Society","2003","125","","1912","1922","","","","","","","","","","","","","","","","","","","","","","has coordinates","172612","2020-10-21","18:00:00",""
"4124774","14.23659","","14.23659","","14.23659","","90","","90","","90","","2885.48","","","","","","","","","","","","","7","F m -3 m","-F 4 2 3","225","","Ni4 ((Re (C N))6 Se8)2.667 (H2 O)45.8","","- C16.002 H91.6 N16.002 Ni4 O45.8 Re16.002 Se21.336 -","- C16.0008 N16.0008 Ni4 O45.8124 Re16.0008 Se21.3344 -","- C16.0008 N16.0008 Ni4 O45.8124 Re16.0008 Se21.3344 -","1","0.00520833","","Bennett, M.V.; Shores, M.P.; Beauvais, L.G.; Long, J.R.","Expanded prussian blue analogues incorporating (Re6 Se8 (C N)6)(3-/4-) clusters: adjusting porosity via charge balance.","Journal of the American Chemical Society","2001","123","","8022","8032","","","","","","","","","","","","","","","","","","","","","","has coordinates","172614","2020-10-21","18:00:00",""
"4124775","9.26","","9.26","","9.26","","90","","90","","90","","794.023","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Ag2 (Mo O4)","","- Ag2 Mo O4 -","- Ag2 Mo O4 -","- Ag16 Mo8 O32 -","8","0.0416667","","Donohue, J.; Shand, W.","The determination of the interatomic distances in silver molybdate, Ag2 Mo O4","Journal of the American Chemical Society","1947","69","","222","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124776","8.05","","8.05","","8.05","","90","","90","","90","","521.66","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ba8 Fe8 O21 -","- Ba8 Fe8 O21 -","- Ba8 Fe8 O21 -","1","0.00520833","","Erchak, M.; Ward, R.; Fankuchen, I.","Reaction between Ferric Oxide and Barium Carbonate in the Solid Phase. Identification of Phases by X-Ray Diffraction","Journal of the American Chemical Society","1946","68","","2085","2093","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124777","24.548","","24.548","","24.548","","90","","90","","90","","14792.7","","","","","","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","Ag66.31 Si96 Al96.9 O384 H27","","- Ag66.31 Al96.9 H27 O384 Si96 -","- Ag66.3072 Al96.9 O384 Si96 -","- Ag66.3072 Al96.9 O384 Si96 -","1","0.00520833","","Gellens, L.R.; Pluth, J.J.; Smith, J.V.","Crystal structure of vacuum-dehydrated silver hydrogen zeolite A","Journal of the American Chemical Society","1983","105","","51","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124778","5.703","","5.703","","5.703","","90","","90","","90","","185.486","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ce O F","","- Ce F O -","- Ce F O -","- Ce4 F4 O4 -","4","0.0208333","","Baenziger, N.C.; Popov, A.I.; Knudson, G.E.; Holden, J.R.","Unit Cell Dimensions of Some Rare Earth Oxyfluorides","Journal of the American Chemical Society","1954","76","","4734","4735","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124779","5.937","","5.937","","5.937","","90","","90","","90","","209.267","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Sr.75 Ca.25 S","","- Ca0.25 S Sr0.75 -","- Ca0.25 S Sr0.75 -","- Ca S4 Sr3 -","4","0.0208333","","Primak, W.; Kaufman, H.; Ward, R.","X-Ray Diffraction Studies of Systems Involved in the Preparation of Alkaline Earth Sulfide and Selenide Phosphors","Journal of the American Chemical Society","1948","70","","2043","2046","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124780","5.868","","5.868","","5.868","","90","","90","","90","","202.055","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Sr0.5 Ca0.5) S","","- Ca0.5 S Sr0.5 -","- Ca0.5 S Sr0.5 -","- Ca2 S4 Sr2 -","4","0.0208333","","Primak, W.; Kaufman, H.; Ward, R.","X-ray diffraction studies of systems involved in the preparation of alkaline earth sulfide and selenide phosphors","Journal of the American Chemical Society","1948","70","","2043","2046","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124781","5.213","","5.213","","5.213","","90","","90","","90","","141.665","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Tb O2","","- O2 Tb -","- O2 Tb -","- O8 Tb4 -","4","0.0208333","","Gruen, D.M.; Koehler, W.C.; Katz, J.J.","Higher Oxides of the Lanthanide Elements. Terbium Dioxide","Journal of the American Chemical Society","1951","73","","1475","1479","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124782","5.286","","5.286","","5.286","","90","","90","","90","","147.7","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Tb O1.81","","- O1.81 Tb -","- O1.81 Tb -","- O7.24 Tb4 -","4","0.0208333","","Guth, D.; Eyring, L.","The Terbium Oxides. I. Dissociation Pressure Measurements. X-Ray and Differential Thermal Analyses","Journal of the American Chemical Society","1954","76","","5242","5244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124783","4.98","","4.98","","4.98","","90","","90","","90","","123.506","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Al2 O -","- Al2 O -","- Al8 O4 -","4","0.0208333","","Hoch, M.; Johnston, H.L.","Formation, Stability and Crystal Structure of the Solid Aluminium Suboxides. Al2 O and Al O","Journal of the American Chemical Society","1954","76","","2560","2561","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124784","5.67","","5.67","","5.67","","90","","90","","90","","182.284","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Al O -","- Al O -","- Al4 O4 -","4","0.0208333","","Hoch, M.; Johnston, H.L.","Formation, Stability and Crystal Structure of the Solid Aluminium Suboxides. Al2 O and Al O","Journal of the American Chemical Society","1954","76","","2560","2561","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124785","4.201","","4.201","","4.201","","90","","90","","90","","74.141","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ni.8 Zn.2 O","","- Ni0.8 O Zn0.2 -","- Ni0.8 O Zn0.2 -","- Ni3.2 O4 Zn0.8 -","4","0.0208333","","Kedesdy, H.; Drukalsky, A.","X-Ray Diffraction Studies of the Solid State Reaction in the Ni O - Zn O System","Journal of the American Chemical Society","1954","76","","5941","5946","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124786","4.214","","4.214","","4.214","","90","","90","","90","","74.831","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ni.7 Zn.3 O","","- Ni0.7 O Zn0.3 -","- Ni0.7 O Zn0.3 -","- Ni2.8 O4 Zn1.2 -","4","0.0208333","","Kedesdy, H.; Drukalsky, A.","X-Ray Diffraction Studies of the Solid State Reaction in the Ni O - Zn O System","Journal of the American Chemical Society","1954","76","","5941","5946","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124787","4.219","","4.219","","4.219","","90","","90","","90","","75.098","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ni.6 Zn.4 O","","- Ni0.6 O Zn0.4 -","- Ni0.6 O Zn0.4 -","- Ni2.4 O4 Zn1.6 -","4","0.0208333","","Kedesdy, H.; Drukalsky, A.","X-Ray Diffraction Studies of the Solid State Reaction in the Ni O - Zn O System","Journal of the American Chemical Society","1954","76","","5941","5946","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124788","18.2124","","18.2124","","45.752","","90","","90","","120","","13142.4","","","","","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","Rb Na ((V O) (Si4 O10)) (H2 O)2.37","","- H4.74 Na O13.37 Rb Si4 V -","- Na O13.37 Rb1.00067 Si4 V -","- Na36 O481.32 Rb36.024 Si144 V36 -","36","1","","Wang, X.-Q.; Liu, L.-M.; Jacobson, A.J.","Open-framework and microporous vanadium silicates","Journal of the American Chemical Society","2002","124","","7812","7820","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124789","5.994","","5.994","","5.994","","90","","90","","90","","215.353","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(K2 Th F6).333","","- F1.998 K0.666 Th0.333 -","- F2 K0.667 Th0.333 -","- F8 K2.668 Th1.332 -","4","0.0208333","","Zachariasen, W.H.","Double Fluorides of Potassium or Sodium with Uranium, Thorium or Lanthanum","Journal of the American Chemical Society","1948","70","","2147","2151","","","","","","","","","","","","","","","","","","","","","","has coordinates","173081","2020-10-21","18:00:00",""
"4124790","5.931","","5.931","","5.931","","90","","90","","90","","208.633","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","K La F4","","- F4 K La -","- F4 K La -","- F8 K2 La2 -","2","0.0104167","","Zachariasen, W.H.","Double Fluorides of Potassium or Sodium with Uranium, Thorium or Lanthanum","Journal of the American Chemical Society","1948","70","","2147","2151","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124791","10.799","","10.684","","10.663","","90","","95.71","","90","","1224.16","","","","","","","","","","","","","1","P 1 21 1","P 2yb","4","","","","- S8 -","- S8 -","- S48 -","6","3","","Goldsmith, L.M.; Strouse, C.E.","Molecular dynamics in the solid state. the order - disorder transition of monoclinic sulfur","Journal of the American Chemical Society","1977","99","","7580","7589","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124792","12.212","","12.212","","12.212","","90","","90","","90","","1821.21","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","(Ag12 Si12 Al12 O48) (C2 H4)3.65","","- C7.3 H14.6 Ag12 Al12 O48 Si12 -","- C7.296 Ag12.008 Al12 O48 Si12 -","- C7.296 Ag12.008 Al12 O48 Si12 -","1","0.0208333","","Kim, Y.; Seff, K.","The hexasilver molecule stabilized by coordination to Si(x) silver ions. The structure of (Ag+)6 (Ag6). The crystal structure of an ethylene sorption complex of partially decomposed fully Ag±exchanged zeolite A","Journal of the American Chemical Society","1978","100","","175","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","173125","2020-10-21","18:00:00",""
"4124793","12.242","","12.242","","12.242","","90","","90","","90","","1834.67","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Cd8 (Al12 Si12 O48) (H2 O)3","","- Al12 Cd8 H6 O51 Si12 -","- Al12 Cd8.0032 O51 Si12 -","- Al12 Cd8.0032 O51 Si12 -","1","0.0208333","","McCusker, L.B.; Seff, K.","Cadmium(I) and dicadmium(I). Crystal structures of cadmium(II) exchanged zeolite A evacuated at 500 C and of its cadmium sorption complex","Journal of the American Chemical Society","1979","101","","5235","5239","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124794","6.139","","6.139","","6.139","","90","","90","","90","","231.362","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Na (B H4)","","- B H4 Na -","- B Na -","- B4 Na4 -","4","0.0416667","","Soldate, A.M.","Crystal structure of sodium borohydride","Journal of the American Chemical Society","1947","69","","987","988","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124795","16.64","","11.66","","8.71","","90","","90","","90","","1689.94","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","K4 (Mo (C N)8) (H2 O)2","","- C8 H4 K4 Mo N8 O2 -","- C8 K4 Mo N8 O2 -","- C32 K16 Mo4 N32 O8 -","4","0.5","","Hoard, J.L.; Glick, M.D.; Hamor, T.A.","Stereochemistry of Discrete Eight-Coordination. V. The Octacyanomolybdate(IV) Ion","Journal of the American Chemical Society","1968","90","","3177","3184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124796","14.63","","14.63","","18.377","","90","","90","","120","","3406.39","","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","((Ir (C O)6) (Sb F6)3) (H F)4","","- C6 H4 F22 Ir O6 Sb3 -","- C6 H3.99 F22 Ir O6 Sb3 -","- C36 H23.94 F132 Ir6 O36 Sb18 -","6","0.333333","","von Ahsen, B.; Berkei, M.; Henkel, G.; Willner, H.; Aubke, F.","The synthesis, vibrational spectra and molecular structure of (Ir (C O)6) (Sb F6)3 * 4(H F) - the first structurally characterized salt with a tripositive, homoleptic metal carbonyl cation and the first example of a tetrahedral hydrogen-bonded (H F)4 cluster","Journal of the American Chemical Society","2002","124","","8371","8379","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124797","12.291","","12.291","","12.291","","90","","90","","90","","1856.79","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Cd6 (Si12 Al12 O48) (H2 O)3","","- Al12 Cd6 H6 O51 Si12 -","- Al12 Cd6 O51 Si12 -","- Al12 Cd6 O51 Si12 -","1","0.0208333","","McCusker, L.B.; Seff, K.","Cadmium(I) and dicadmium(I). Crystal structures of cadmium(II) exchanged zeolite A evacuated at 500 C and of its cadmium sorption complex","Journal of the American Chemical Society","1979","101","","5235","5239","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124798","6.563","","11.717","","11.409","","90","","101.63","","90","","859.325","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(S4 N4 H) (B F4)","","- B F4 H N4 S4 -","- B F4 N4 S4 -","- B4 F16 N16 S16 -","4","1","","Cordes, A.W.; Noble, M.C.; Marcellus, C.G.; Pennington, W.T.; Oakley, R.T.","Preparation and Crystal and Molecular Structure of S4 N4 H(+) B F4(-). Molecular Orbital Study of the Protonation of Tetrasulfur Tetranitride","Journal of the American Chemical Society","1983","105","","6008","6012","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124799","6.63","","11.31","","16.25","","90","","90","","90","","1218.51","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","Pb (N3)2","","- N6 Pb -","- N6 Pb -","- N72 Pb12 -","12","3","","Glen, G.L.","A neutron diffraction study of alpha-lead azide","Journal of the American Chemical Society","1963","85","","3892","3894","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124800","24.797","","8.594","","6.6891","","90","","90","","90","","1425.48","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Zr4.3 Ti2.7 Sb7","","- Sb7 Ti2.7 Zr4.3 -","- Sb7 Ti2.68 Zr4.32 -","- Sb28 Ti10.72 Zr17.28 -","4","0.25","","Kleinke, H.","Zr1-x Tix Sb: A novel antimonide on the quasibinary section Zr Sb - Ti Sb with a complex crystal structure exhibiting linear Sb chains and fragments of the Ti Sb structure","Journal of the American Chemical Society","2000","122","","853","860","","","","","","","","","","","","","","","","","","","","","","has coordinates","173392","2020-10-21","18:00:00",""
"4124801","12.6563","0.0004","12.6563","0.0004","12.6563","0.0004","90","","90","","90","","2027.31","0.11","121.65","0.1","121.65","0.1","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Gd3 O9.99 -","- C H7.02 Gd3 O9.99 -","- C8 H56.16 Gd24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0394","0.0387","","","0.0868","0.0872","","","","","","1.274","","","","has coordinates","173448","2020-10-21","18:00:00",""
"4124802","12.59","0.0003","12.59","0.0003","12.59","0.0003","90","","90","","90","","1995.62","0.08","121.1","0.2","121.1","0.2","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 O9.99 Tb3 -","- C H7.02 O9.99 Tb3 -","- C8 H56.16 O79.92 Tb24 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0358","0.032","","","0.0883","0.0924","","","","","","1.167","","","","has coordinates","173448","2020-10-21","18:00:00",""
"4124803","12.5189","0.0003","12.5189","0.0003","12.5189","0.0003","90","","90","","90","","1962","0.08","121.3","0.14","121.3","0.14","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Dy3 O9.99 -","- C H7.02 Dy3 O9.99 -","- C8 H56.16 Dy24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0382","0.0328","","","0.0862","0.0923","","","","","","1.101","","","","has coordinates","173448","2020-10-21","18:00:00",""
"4124804","12.6606","0.0004","12.6606","0.0004","12.6606","0.0004","90","","90","","90","","2029.38","0.11","130","2","130","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Gd3 O9.99 -","- C H6.99 Gd3 O9.99 -","- C8 H55.92 Gd24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0436","0.0418","","","0.0937","0.0948","","","","","","1.203","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124805","12.669","0.0007","12.669","0.0007","12.669","0.0007","90","","90","","90","","2033.42","0.19","130","2","130","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Gd3 O9.99 -","- C H6.96 Gd3 O9.99 -","- C8 H55.68 Gd24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0726","0.0695","","","0.1562","0.1576","","","","","","1.272","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124806","12.6589","0.0004","12.6589","0.0004","12.6589","0.0004","90","","90","","90","","2028.56","0.11","130","2","130","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Gd3 O9.99 -","- C H6.96 Gd3 O9.99 -","- C8 H55.68 Gd24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0441","0.0435","","","0.0965","0.0969","","","","","","1.217","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124807","12.6541","0.0005","12.6541","0.0005","12.6541","0.0005","90","","90","","90","","2026.25","0.14","130","2","130","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Gd3 O9.99 -","- C H6.96 Gd3 O9.99 -","- C8 H55.68 Gd24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0806","0.0773","","","0.1445","0.1467","","","","","","1.013","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124808","12.6596","0.0004","12.6596","0.0004","12.6596","0.0004","90","","90","","90","","2028.9","0.11","130","2","130","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Gd3 O9.99 -","- C H6.96 Gd3 O9.99 -","- C8 H55.68 Gd24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0487","0.0473","","","0.1037","0.1042","","","","","","1.208","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124809","12.6597","0.0005","12.6597","0.0005","12.6597","0.0005","90","","90","","90","","2028.94","0.14","130","2","130","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Gd3 O9.99 -","- C H6.96 Gd3 O9.99 -","- C8 H55.68 Gd24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0456","0.0442","","","0.1039","0.1044","","","","","","1.124","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124810","12.4967","0.0004","12.4967","0.0004","12.4967","0.0004","90","","90","","90","","1951.58","0.11","293","2","293","2","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Dy3 O9.99 -","- C H7.02 Dy3 O9.99 -","- C8 H56.16 Dy24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.044","0.0368","","","0.0953","0.0997","","","","","","1.086","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124811","12.494","0.0002","12.494","0.0002","12.494","0.0002","90","","90","","90","","1950.31","0.05","293","2","293","2","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Dy3 O9.99 -","- C H7.02 Dy3 O9.99 -","- C8 H56.16 Dy24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0401","0.0351","","","0.0916","0.0944","","","","","","1.109","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124812","12.4967","0.0004","12.4967","0.0004","12.4967","0.0004","90","","90","","90","","1951.58","0.11","293","2","293","2","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Dy3 O9.99 -","- C H7.02 Dy3 O9.99 -","- C8 H56.16 Dy24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0453","0.0379","","","0.0969","0.1018","","","","","","1.069","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124813","12.5137","0.0003","12.5137","0.0003","12.5137","0.0003","90","","90","","90","","1959.55","0.08","121.95","0.1","121.95","0.1","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 O9.99 Tb3 -","- C H6.96 O9.99 Tb3 -","- C8 H55.68 O79.92 Tb24 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.041","0.0371","","","0.0983","0.1014","","","","","","1.145","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124814","12.4988","0.0004","12.4988","0.0004","12.4988","0.0004","90","","90","","90","","1952.56","0.11","121.75","0.1","121.75","0.1","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 O9.99 Tb3 -","- C H6.96 O9.99 Tb3 -","- C8 H55.68 O79.92 Tb24 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0404","0.0339","","","0.0877","0.0921","","","","","","1.124","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124815","12.5234","0.0003","12.5234","0.0003","12.5234","0.0003","90","","90","","90","","1964.11","0.08","121.95","0.1","121.95","0.1","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 O9.99 Tb3 -","- C H6.96 O9.99 Tb3 -","- C8 H55.68 O79.92 Tb24 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0458","0.0392","","","0.098","0.1039","","","","","","1.109","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124816","23.2201","0.0006","16.7229","0.0004","7.527","0.0002","90","","90.177","0.002","90","","2922.78","0.13","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","mss040","","","- C17 H25 N O -","- C17 H25 N O -","- C136 H200 N8 O8 -","8","1","","Hickey, David P.; Schiedler, David A.; Matanovic, Ivana; Doan, Phuong Vy; Atanassov, Plamen; Minteer, Shelley D.; Sigman, Matthew S.","Predicting Electrocatalytic Properties: Modeling Structure-Activity Relationships of Nitroxyl Radicals.","Journal of the American Chemical Society","2015","137","51","16179","16186","10.1021/jacs.5b11252","","","0.71073","MoKα","","0.0578","0.0467","","","0.1234","0.1329","","","","","","1.065","","","","has coordinates,has disorder","173450","2020-10-21","18:00:00",""
"4124817","12.6725","0.0008","14.3011","0.0008","14.2357","0.0009","90","","112.077","0.003","90","","2390.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Cl2 N O3 S -","- C26 H23 Cl2 N O3 S -","- C104 H92 Cl8 N4 O12 S4 -","4","1","","Santhoshkumar, Rajagopal; Mannathan, Subramaniyan; Cheng, Chien-Hong","Ligand-Controlled Divergent C-H Functionalization of Aldehydes with Enynes by Cobalt Catalysts.","Journal of the American Chemical Society","2015","137","51","16116","16120","10.1021/jacs.5b10447","","","0.71073","MoKα","","0.0593","0.0402","","","0.1176","0.135","","","","","","1.061","","","","has coordinates","173451","2020-10-21","18:00:00",""
"4124818","10.7808","0.0003","10.7808","0.0003","16.1975","0.0005","90","","90","","90","","1882.56","0.09","200","2","200","2","","","","","","","","6","P 43","P 4cw","78","","","","- C20 H18 Co F6 N0 P -","- C20 H18 Co F6 P -","- C80 H72 Co4 F24 P4 -","4","1","","Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom","Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation.","Journal of the American Chemical Society","2015","137","51","16064","16073","10.1021/jacs.5b12003","","","0.71073","MoKα","","0.0194","0.0186","","","0.0454","0.0456","","","","","","1.033","","","","has coordinates","173452","2020-10-21","18:00:00",""
"4124819","32.1741","0.0019","7.6991","0.0005","20.422","0.0013","90","","110.029","0.002","90","","4752.8","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H22 Co F8 P -","- C24.5 H22 Co F8 P -","- C196 H176 Co8 F64 P8 -","8","1","","Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom","Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation.","Journal of the American Chemical Society","2015","137","51","16064","16073","10.1021/jacs.5b12003","","","0.71073","MoKα","","0.1029","0.0625","","","0.1382","0.1547","","","","","","1.018","","","","has coordinates,has disorder","173453","2020-10-21","18:00:00",""
"4124820","8.9559","0.001","14.4617","0.0017","17.157","0.002","108.817","0.002","92.449","0.002","103.213","0.002","2031.3","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22.5 H22 Co F4 P -","- C22.5 H22 Co F4 P -","- C90 H88 Co4 F16 P4 -","4","2","","Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom","Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation.","Journal of the American Chemical Society","2015","137","51","16064","16073","10.1021/jacs.5b12003","","","0.71073","MoKα","","0.1091","0.0548","","","0.1067","0.1257","","","","","","1.022","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4124821","9.5767","0.0002","10.2062","0.0002","11.8202","0.0003","85.8132","0.0011","87.6375","0.0011","69.3572","0.001","1078.12","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 Co F6 P -","- C25 H20 Co F6 P -","- C50 H40 Co2 F12 P2 -","2","1","","Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom","Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation.","Journal of the American Chemical Society","2015","137","51","16064","16073","10.1021/jacs.5b12003","","","0.71073","MoKα","","0.0279","0.0247","","","0.0651","0.0671","","","","","","1.041","","","","has coordinates","173455","2020-10-21","18:00:00",""
"4124822","9.4327","0.0002","18.024","0.0004","14.5156","0.0003","90","","90.5681","0.0013","90","","2467.75","0.09","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H20.75 Co F4 N0.25 P -","- C24.5 H20.75 Co F4 N0.25 P -","- C98 H83 Co4 F16 N P4 -","4","1","","Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom","Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation.","Journal of the American Chemical Society","2015","137","51","16064","16073","10.1021/jacs.5b12003","","","0.71073","MoKα","","0.0829","0.0684","","","0.1741","0.184","","","","","","1.067","","","","has coordinates,has disorder","173456","2020-10-21","18:00:00",""
"4124823","9.0221","0.0006","10.5657","0.0006","13.7403","0.0009","74.82","0.003","77.45","0.003","79.209","0.003","1222.02","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 Co F6 P -","- C27 H26 Co F6 P -","- C54 H52 Co2 F12 P2 -","2","1","","Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom","Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation.","Journal of the American Chemical Society","2015","137","51","16064","16073","10.1021/jacs.5b12003","","","0.71073","MoKα","","0.0351","0.032","","","0.088","0.0908","","","","","","1.044","","","","has coordinates","173457","2020-10-21","18:00:00",""
"4124824","10.259","0.002","22.885","0.005","6.9775","0.0014","90","","90","","90","","1638.2","0.6","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H21 N3 O -","- C19 H21 N3 O -","- C76 H84 N12 O4 -","4","1","","Kong, Wangqing; Wang, Qian; Zhu, Jieping","Palladium-Catalyzed Enantioselective Domino Heck/Intermolecular C-H Bond Functionalization: Development and Application to the Synthesis of (+)-Esermethole.","Journal of the American Chemical Society","2015","137","51","16028","16031","10.1021/jacs.5b11625","","","0.71073","MoKα","","0.1488","0.1174","","","0.2653","0.2818","","","","","","1.225","","","","has coordinates","173458","2020-10-21","18:00:00",""
"4124825","10.862","0.002","8.9413","0.0018","44.757","0.009","90","","96.87","0.03","90","","4315.6","1.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Br N3 O2 -","- C25 H20 Br N3 O2 -","- C200 H160 Br8 N24 O16 -","8","4","","Kong, Wangqing; Wang, Qian; Zhu, Jieping","Palladium-Catalyzed Enantioselective Domino Heck/Intermolecular C-H Bond Functionalization: Development and Application to the Synthesis of (+)-Esermethole.","Journal of the American Chemical Society","2015","137","51","16028","16031","10.1021/jacs.5b11625","","","0.71073","MoKα","","0.0993","0.0919","","","0.2181","0.2303","","","","","","1.157","","","","has coordinates","173459","2020-10-21","18:00:00",""
"4124826","44.091","0.002","25.406","0.0014","17.1248","0.0009","90","","91.176","0.004","90","","19178.7","1.7","260","2","260","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C111 H72 N6 O12 Zn3 -","- C111 H72 N6 O12 Zn3 -","- C444 H288 N24 O48 Zn12 -","4","1","","Hu, Zhichao; Lustig, William P.; Zhang, Jingming; Zheng, Chong; Wang, Hao; Teat, Simon J.; Gong, Qihan; Rudd, Nathan D.; Li, Jing","Effective Detection of Mycotoxins by a Highly Luminescent Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","51","16209","16215","10.1021/jacs.5b10308","","","0.7749","synchrotron","","0.0688","0.0598","","","0.1463","0.1507","","","","","","0.983","","","","has coordinates,has disorder","173460","2020-10-21","18:00:00",""
"4124827","13.4961","0.0007","13.5842","0.0007","15.511","0.0012","109.1","0.001","91.269","0.002","117.72","0.001","2326.5","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H58 Si2 -","- C56 H58 Si2 -","- C112 H116 Si4 -","2","1","","Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian","Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes.","Journal of the American Chemical Society","2015","137","51","16203","16208","10.1021/jacs.5b10687","","","0.71073","MoKα","","0.1847","0.104","","","0.2997","0.3654","","","","","","1.036","","","","has coordinates","173461","2020-10-21","18:00:00",""
"4124828","23.848","0.003","19.628","0.003","7.4604","0.0009","90","","90","","90","","3492.1","0.8","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","5,14-di(trimethylsilylethynyl)dibenzo[a,m]rubicene","","- C44 H34 Si2 -","- C44 H34 Si2 -","- C176 H136 Si8 -","4","1","","Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian","Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes.","Journal of the American Chemical Society","2015","137","51","16203","16208","10.1021/jacs.5b10687","","","0.71073","MoKα","","0.1532","0.0673","","","0.1331","0.1873","","","","","","0.956","","","","has coordinates","173462","2020-10-21","18:00:00",""
"4124829","45.98","0.004","3.9168","0.0003","23.698","0.002","90","","110.371","0.002","90","","4001","0.6","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","dibenzo[a,m]rubicene","","- C34 H18 -","- C34 H18 -","- C272 H144 -","8","1","","Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian","Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes.","Journal of the American Chemical Society","2015","137","51","16203","16208","10.1021/jacs.5b10687","","","0.71073","MoKα","","0.0944","0.047","","","0.1014","0.128","","","","","","0.993","","","","has coordinates","173463","2020-10-21","18:00:00",""
"4124830","12.0444","0.0006","5.7447","0.0003","25.5486","0.0014","90","","101.227","0.001","90","","1733.92","0.16","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,14-di(3,5-dimethoxyphenyl)dibenzo[a,m]rubicene","","- C50 H34 O4 -","- C50 H34 O4 -","- C100 H68 O8 -","2","0.5","","Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian","Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes.","Journal of the American Chemical Society","2015","137","51","16203","16208","10.1021/jacs.5b10687","","","0.71073","MoKα","","0.0565","0.0397","","","0.1022","0.113","","","","","","1.033","","","","has coordinates","173464","2020-10-21","18:00:00",""
"4124831","21.236","0.004","24.857","0.005","7.6161","0.0014","90","","90","","90","","4020.3","1.3","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","5,14-di(t-butyldimethylsilylethynyl)dibenzo[a,m]rubicene","","- C50 H46 Si2 -","- C50 H46 Si2 -","- C200 H184 Si8 -","4","0.5","","Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian","Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes.","Journal of the American Chemical Society","2015","137","51","16203","16208","10.1021/jacs.5b10687","","","0.71073","MoKα","","0.171","0.0572","","","0.1168","0.1704","","","","","","1.027","","","","has coordinates","173465","2020-10-21","18:00:00",""
"4124832","7.3874","0.0014","8.2772","0.0016","13.402","0.003","94.032","0.004","101.952","0.005","103.382","0.005","773.9","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","bromo-dimethyl-(C,N,N'-(2-(((2-(dimethylamino)ethyl)(methyl)amino)methyl)phenyl)platinum","","- C14 H25 Br N2 Pt -","- C14 H25 Br N2 Pt -","- C28 H50 Br2 N4 Pt2 -","2","1","","Bowes, Eric G.; Pal, Shrinwantu; Love, Jennifer A.","Exclusive Csp(3)-Csp(3) vs Csp(2)-Csp(3) Reductive Elimination from Pt(IV) Governed by Ligand Constraints.","Journal of the American Chemical Society","2015","137","51","16004","16007","10.1021/jacs.5b10993","","","0.71073","MoKα","","0.0233","0.021","","","0.0493","0.0502","","","","","","1.037","","","","has coordinates","173466","2020-10-21","18:00:00",""
"4124833","17.915","0.003","25.896","0.005","11.227","0.003","90","","90","","90","","5208.5","1.9","90","","90","","","","","","","","","6","F d d 2","F 2 -2d","43","","bromine-(dimethylsufide)-(C,N-(3-methyl-2-((methylimino)methyl)phenyl)platinum","","- C11 H16 Br N Pt S -","- C11 H16 Br N Pt S -","- C176 H256 Br16 N16 Pt16 S16 -","16","1","","Bowes, Eric G.; Pal, Shrinwantu; Love, Jennifer A.","Exclusive Csp(3)-Csp(3) vs Csp(2)-Csp(3) Reductive Elimination from Pt(IV) Governed by Ligand Constraints.","Journal of the American Chemical Society","2015","137","51","16004","16007","10.1021/jacs.5b10993","","","0.71073","MoKα","","0.0106","0.0104","","","0.0248","0.0249","","","","","","1.055","","","","has coordinates","173466","2020-10-21","18:00:00",""
"4124834","8.6717","0.0002","21.2892","0.0006","17.7844","0.0005","90","","90.304","0.001","90","","3283.2","0.15","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H48 F3 O6 S Si2 Ti -","- C27 H48 F3 O6 S Si2 Ti -","- C108 H192 F12 O24 S4 Si8 Ti4 -","4","1","","Godemann, Christian; Hollmann, Dirk; Kessler, Monty; Jiao, Haijun; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten","A Model of a Closed Cycle of Water Splitting Using ansa-Titanocene(III/IV) Triflate Complexes.","Journal of the American Chemical Society","2015","137","51","16187","16195","10.1021/jacs.5b11365","","","0.71073","MoKα","","0.0397","0.032","","","0.0776","0.0826","","","","","","1.042","","","","has coordinates","173467","2020-10-21","18:00:00",""
"4124835","10.1464","0.0004","10.2342","0.0004","14.6704","0.0006","100.85","0.001","93.18","0.001","94.686","0.001","1487.23","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H43 F3 O7 S Si2 Ti -","- C23 H43 F3 O7 S Si2 Ti -","- C46 H86 F6 O14 S2 Si4 Ti2 -","2","1","","Godemann, Christian; Hollmann, Dirk; Kessler, Monty; Jiao, Haijun; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten","A Model of a Closed Cycle of Water Splitting Using ansa-Titanocene(III/IV) Triflate Complexes.","Journal of the American Chemical Society","2015","137","51","16187","16195","10.1021/jacs.5b11365","","","0.71073","MoKα","","0.0458","0.0329","","","0.0768","0.0844","","","","","","1.018","","","","has coordinates","173468","2020-10-21","18:00:00",""
"4124836","12.3619","0.0008","14.2625","0.001","15.1193","0.001","90","","90","","90","","2665.7","0.3","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H37 F3 O4 S Si2 Ti -","- C23 H37 F3 O4 S Si2 Ti -","- C92 H148 F12 O16 S4 Si8 Ti4 -","4","1","","Godemann, Christian; Hollmann, Dirk; Kessler, Monty; Jiao, Haijun; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten","A Model of a Closed Cycle of Water Splitting Using ansa-Titanocene(III/IV) Triflate Complexes.","Journal of the American Chemical Society","2015","137","51","16187","16195","10.1021/jacs.5b11365","","","0.71073","MoKα","","0.0285","0.0259","","","0.0669","0.0686","","","","","","1.072","","","","has coordinates","173469","2020-10-21","18:00:00",""
"4124837","12.7082","0.0002","13.9806","0.0002","14.9119","0.0002","90","","90","","90","","2649.37","0.07","170","2","170","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H36 F3 O3 S Si2 Ti -","- C23 H36 F3 O3 S Si2 Ti -","- C92 H144 F12 O12 S4 Si8 Ti4 -","4","1","","Godemann, Christian; Hollmann, Dirk; Kessler, Monty; Jiao, Haijun; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten","A Model of a Closed Cycle of Water Splitting Using ansa-Titanocene(III/IV) Triflate Complexes.","Journal of the American Chemical Society","2015","137","51","16187","16195","10.1021/jacs.5b11365","","","0.71073","MoKα","","0.0505","0.0414","","","0.1084","0.1167","","","","","","1.039","","","","has coordinates","173470","2020-10-21","18:00:00",""
"4124838","6.3279","0.00013","10.2173","0.0002","31.5941","0.0006","90","","90","","90","","2042.69","0.07","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O6 -","- C21 H26 N2 O6 -","- C84 H104 N8 O24 -","4","1","","Hashimoto, Takuya; Gálvez, Alberto Osuna; Maruoka, Keiji","Boronic Acid-Catalyzed, Highly Enantioselective Aza-Michael Additions of Hydroxamic Acid to Quinone Imine Ketals.","Journal of the American Chemical Society","2015","137","51","16016","16019","10.1021/jacs.5b11518","","","1.54187","CuKα","","0.0543","0.0467","","","0.1234","0.132","","","","","","1.04","","","","has coordinates","173471","2020-10-21","18:00:00",""
"4124839","25.92","0.005","28.56","0.006","40.27","0.008","90","","90","","90","","29811","10","250","2","250","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C64 H34 O20 Zn4 -","- C64 H34 O20 Zn4 -","- C512 H272 O160 Zn32 -","8","0.25","","Spanopoulos, Ioannis; Tsangarakis, Constantinos; Klontzas, Emmanuel; Tylianakis, Emmanuel; Froudakis, George; Adil, Karim; Belmabkhout, Youssef; Eddaoudi, Mohamed; Trikalitis, Pantelis N.","Reticular Synthesis of HKUST-like tbo-MOFs with Enhanced CH4 Storage.","Journal of the American Chemical Society","2016","138","5","1568","1574","10.1021/jacs.5b11079","","","0.91841","","","0.1424","0.1413","","","0.4933","0.4954","","","","","","2.653","","","","has coordinates","177407","2020-10-21","18:00:00",""
"4124840","25.616","0.002","28.157","0.003","40.549","0.004","90","","90","","90","","29247","5","250","2","250","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C64 H34 Cu4 O20 -","- C64 H34 Cu4 O20 -","- C512 H272 Cu32 O160 -","8","0.25","","Spanopoulos, Ioannis; Tsangarakis, Constantinos; Klontzas, Emmanuel; Tylianakis, Emmanuel; Froudakis, George; Adil, Karim; Belmabkhout, Youssef; Eddaoudi, Mohamed; Trikalitis, Pantelis N.","Reticular Synthesis of HKUST-like tbo-MOFs with Enhanced CH4 Storage.","Journal of the American Chemical Society","2016","138","5","1568","1574","10.1021/jacs.5b11079","","","1.0402","","","0.1519","0.1463","","","0.4529","0.4608","","","","","","2.011","","","","has coordinates","177407","2020-10-21","18:00:00",""
"4124841","16.3143","0.0003","19.5553","0.0004","13.7512","0.0002","90","","93.026","0.001","90","","4380.94","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H55 N3 O -","- C52 H55 N3 O -","- C208 H220 N12 O4 -","4","1","","Rajamalli, Pachaiyappan; Senthilkumar, Natarajan; Gandeepan, Parthasarathy; Huang, Pei-Yun; Huang, Min-Jie; Ren-Wu, Chen-Zheng; Yang, Chi-Yu; Chiu, Ming-Jui; Chu, Li-Kang; Lin, Hao-Wu; Cheng, Chien-Hong","A New Molecular Design Based on Thermally Activated Delayed Fluorescence for Highly Efficient Organic Light Emitting Diodes.","Journal of the American Chemical Society","2016","138","2","628","634","10.1021/jacs.5b10950","","","1.54178","CuKα","","0.0703","0.0529","","","0.1454","0.1605","","","","","","1.027","","","","has coordinates,has disorder","175782","2020-10-21","18:00:00",""
"4124842","4.0335","","4.0335","","4.0335","","90","","90","","90","","65.622","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ba Ti O3","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.0208333","","Edwards, J.W.; Speiser, R.; Johnston, H.L.","Structure of Barium Titanate at Elevated Temperatures","Journal of the American Chemical Society","1951","73","","2934","2935","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124843","6.763","","7.89","","7.256","","92.3","","133.1","","91","","281.942","","","","","","","","","","","","","4","P -1","-P 1","2","","((N H3)2 Pt O H)2 (N O3)2","","- H14 N6 O8 Pt2 -","- H14 N6 O8 Pt2 -","- H14 N6 O8 Pt2 -","1","0.5","","Faggiani, R.; Lippert, B.; Rosenberg, B.; Lock, C. J. L.","Hydroxo-Bridged Platinum(II) Complexes. I. Di-mue-hydroxo-bis(diammineplatinum(II)) Nitrate, ((N H3)2 Pt (O H)2 Pt (N H3)2) (N O3)2. Crystalline Structure and Vibrational Spectra","Journal of the American Chemical Society","1977","99","","777","780","","","","","","","","","","","","","","","","","","","","","","has coordinates","189055","2020-10-21","18:00:00",""
"4124844","4.02","","4.02","","4.02","","90","","90","","90","","64.965","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ba Fe O3 -","- Ba Fe O3 -","- Ba Fe O3 -","1","0.0208333","","Erchak, M.; Fankuchen, I.; Ward, R.","Reaction between Ferric Oxide and Barium Carbonate in the Solid Phase. Identification of Phases by X-Ray Diffraction","Journal of the American Chemical Society","1946","68","","2085","2093","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124845","3.825","","3.825","","3.825","","90","","90","","90","","55.962","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Na.54 W O3","","- Na0.54 O3 W -","- Na0.54 O3 W -","- Na0.54 O3 W -","1","0.0208333","","Straumanis, M.E.","The Sodium Tungsten Bronzes. I. Chemical Properties and Structure","Journal of the American Chemical Society","1949","71","","679","683","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124846","3.818","","3.818","","3.818","","90","","90","","90","","55.655","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Na.44 W O3","","- Na0.44 O3 W -","- Na0.44 O3 W -","- Na0.44 O3 W -","1","0.0208333","","Straumanis, M.E.","The Sodium Tungsten Bronzes. I. Chemical Properties and Structure","Journal of the American Chemical Society","1949","71","","679","683","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124847","9.649","","8.393","","9.72","","90","","95.08","","90","","784.073","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","(K1.6 Rb0.4) (Hg3 Ge2 S8)","","- Ge2 Hg3 K1.6 Rb0.4 S8 -","- Ge2 Hg3 K1.6 Rb0.4 S8 -","- Ge4 Hg6 K3.2 Rb0.8 S16 -","2","0.5","","Liao, J.-H.; Marking, G.M.; Ewbank, M.D.; Hsu, K.-F.; Rosker, M.J.; Kanatzidis, M.G.; Matsushita, Y.; Borwick, R.; Cunningham, P.","Alpha- and beta-(A2 Hg3 M2 S8) (A = K, Rb; M = Ge, Sn): polar quaternary chalcogenides with strong nonlinear optical response","Journal of the American Chemical Society","2003","125","","9484","9493","","","","","","","","","","","","","","","","","","","","","","has coordinates","173968","2020-10-21","18:00:00",""
"4124848","3.846","","3.846","","3.846","","90","","90","","90","","56.889","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Na.83 W O3","","- Na0.83 O3 W -","- Na0.83 O3 W -","- Na0.83 O3 W -","1","0.0208333","","Straumanis, M.E.","The Sodium Tungsten Bronzes. I. Chemical Properties and Structure","Journal of the American Chemical Society","1949","71","","679","683","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124849","3.839","","3.839","","3.839","","90","","90","","90","","56.579","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Na.72 W O3","","- Na0.72 O3 W -","- Na0.72 O3 W -","- Na0.72 O3 W -","1","0.0208333","","Straumanis, M.E.","The Sodium Tungsten Bronzes. I. Chemical Properties and Structure","Journal of the American Chemical Society","1949","71","","679","683","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124850","3.722","","3.722","","3.722","","90","","90","","90","","51.562","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Li.93 W O3","","- Li0.93 O3 W -","- Li0.93 O3 W -","- Li0.93 O3 W -","1","0.0208333","","Straumanis, M.E.; Doctor, G.F.","The System Sodium Tungsten Bronze - Lithium Tungsten Bronze - Tungtsen(VI) Oxide","Journal of the American Chemical Society","1951","73","","3492","3496","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124851","4.072","","4.072","","4.072","","90","","90","","90","","67.519","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ba Co O2.23 -","- Ba Co O2.2299 -","- Ba Co O2.2299 -","1","0.0208333","","Strauss, S.W.; Fankuchen, I.; Ward, R.","Barium Cobalt Oxide of the Perowskite Type","Journal of the American Chemical Society","1951","73","","5084","5086","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124852","3.82","","3.82","","3.82","","90","","90","","90","","55.743","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","La (Co O3)","","- Co La O3 -","- Co La O3 -","- Co La O3 -","1","0.0208333","","Wold, A.; Ward, R.","Perowskite-type oxides of cobalt, chromium and vanadium with some rare earth elements","Journal of the American Chemical Society","1954","76","","1029","1030","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124853","3.78","","3.78","","3.78","","90","","90","","90","","54.01","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Pr Co O3","","- Co O3 Pr -","- Co O3 Pr -","- Co O3 Pr -","1","0.0208333","","Wold, A.; Ward, R.","Perowskite-Type Oxides of Cobalt, Chromium and Vanadium with Some Rare Earth Elements","Journal of the American Chemical Society","1954","76","","1029","1030","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124854","3.77","","3.77","","3.77","","90","","90","","90","","53.583","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Nd Co O3","","- Co Nd O3 -","- Co Nd O3 -","- Co Nd O3 -","1","0.0208333","","Wold, A.; Ward, R.","Perowskite-Type Oxides of Cobalt, Chromium and Vanadium with Some Rare Earth Elements","Journal of the American Chemical Society","1954","76","","1029","1030","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124855","3.75","","3.75","","3.75","","90","","90","","90","","52.734","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Sm Co O3","","- Co O3 Sm -","- Co O3 Sm -","- Co O3 Sm -","1","0.0208333","","Wold, A.; Ward, R.","Perowskite-Type Oxides of Cobalt, Chromium and Vanadium with Some Rare Earth Elements","Journal of the American Chemical Society","1954","76","","1029","1030","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124856","3.91","","3.91","","3.91","","90","","90","","90","","59.776","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","La (V O3)","","- La O3 V -","- La O3 V -","- La O3 V -","1","0.0208333","","Wold, A.; Ward, R.","Perowskite-type oxides of cobalt, chromium and vanadium with some rare earth elements","Journal of the American Chemical Society","1954","76","","1029","1030","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124857","3.9","","3.9","","3.9","","90","","90","","90","","59.319","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ce V O3","","- Ce O3 V -","- Ce O3 V -","- Ce O3 V -","1","0.0208333","","Wold, A.; Ward, R.","Perowskite-Type Oxides of Cobalt, Chromium and Vanadium with Some Rare Earth Elements","Journal of the American Chemical Society","1954","76","","1029","1030","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124858","3.89","","3.89","","3.89","","90","","90","","90","","58.864","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Pr V O3","","- O3 Pr V -","- O3 Pr V -","- O3 Pr V -","1","0.0208333","","Wold, A.; Ward, R.","Perowskite-Type Oxides of Cobalt, Chromium and Vanadium with Some Rare Earth Elements","Journal of the American Chemical Society","1954","76","","1029","1030","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124859","3.89","","3.89","","3.89","","90","","90","","90","","58.864","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Nd V O3","","- Nd O3 V -","- Nd O3 V -","- Nd O3 V -","1","0.0208333","","Wold, A.; Ward, R.","Perowskite-Type Oxides of Cobalt, Chromium and Vanadium with Some Rare Earth Elements","Journal of the American Chemical Society","1954","76","","1029","1030","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124860","3.89","","3.89","","3.89","","90","","90","","90","","58.864","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Sm V O3","","- O3 Sm V -","- O3 Sm V -","- O3 Sm V -","1","0.0208333","","Wold, A.; Ward, R.","Perowskite-Type Oxides of Cobalt, Chromium and Vanadium with Some Rare Earth Elements","Journal of the American Chemical Society","1954","76","","1029","1030","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124861","3.9","","3.9","","3.9","","90","","90","","90","","59.319","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","La (Cr O3)","","- Cr La O3 -","- Cr La O3 -","- Cr La O3 -","1","0.0208333","","Wold, A.; Ward, R.","Perowskite-type oxides of cobalt, chromium and vanadium with some rare earth elements","Journal of the American Chemical Society","1954","76","","1029","1030","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124862","3.89","","3.89","","3.89","","90","","90","","90","","58.864","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ce Cr O3 -","- Ce Cr O3 -","- Ce Cr O3 -","1","0.0208333","","Wold, A.; Ward, R.","Perowskite-Type Oxides of Cobalt, Chromium and Vanadium with Some Rare Earth Elements","Journal of the American Chemical Society","1954","76","","1029","1030","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124863","3.89","","3.89","","3.89","","90","","90","","90","","58.864","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Pr Cr O3","","- Cr O3 Pr -","- Cr O3 Pr -","- Cr O3 Pr -","1","0.0208333","","Wold, A.; Ward, R.","Perowskite-Type Oxides of Cobalt, Chromium and Vanadium with Some Rare Earth Elements","Journal of the American Chemical Society","1954","76","","1029","1030","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124864","3.89","","3.89","","3.89","","90","","90","","90","","58.864","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Nd Cr O3","","- Cr Nd O3 -","- Cr Nd O3 -","- Cr Nd O3 -","1","0.0208333","","Wold, A.; Ward, R.","Perowskite-Type Oxides of Cobalt, Chromium and Vanadium with Some Rare Earth Elements","Journal of the American Chemical Society","1954","76","","1029","1030","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124865","3.86","","3.86","","3.86","","90","","90","","90","","57.512","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Sm Cr O3","","- Cr O3 Sm -","- Cr O3 Sm -","- Cr O3 Sm -","1","0.0208333","","Wold, A.; Ward, R.","Perowskite-Type Oxides of Cobalt, Chromium and Vanadium with Some Rare EArth Elements","Journal of the American Chemical Society","1954","76","","1029","1030","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124866","3.7882","","3.7882","","3.7882","","90","","90","","90","","54.362","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Li.51 Na.42 W O3","","- Li0.51 Na0.42 O3 W -","- Li0.51 Na0.42 O3 W -","- Li0.51 Na0.42 O3 W -","1","0.0208333","","Straumanis, M.E.; Doctor, G.F.","The System Sodium Tungsten Bronze - Lithium Tungsten Bronze - Tungsten(VI) Oxide","Journal of the American Chemical Society","1951","73","","3492","3496","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124867","3.809","","3.809","","3.809","","90","","90","","90","","55.263","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Na.30 W O3","","- Na0.3 O3 W -","- Na0.3 O3 W -","- Na0.3 O3 W -","1","0.0208333","","Brown, B.W.; Banks, E.","The Sodium Tungsten Bronzes","Journal of the American Chemical Society","1954","76","","963","966","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124868","3.92","","3.92","","3.92","","90","","90","","90","","60.236","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","La Ti O3","","- La O3 Ti -","- La O3 Ti -","- La O3 Ti -","1","0.0208333","","Kestigian, M.; Ward, R.","The Preparation of Lanthanum Titanium Oxide, La Ti O3","Journal of the American Chemical Society","1954","76","","6027","6027","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124869","3.86","","3.86","","3.86","","90","","90","","90","","57.512","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Na W O3","","- Na O3 W -","- Na O3 W -","- Na O3 W -","1","0.0208333","","Straumanis, M.E.","The Sodium Tungsten Bronzes. I. Chemical Properties and Structure","Journal of the American Chemical Society","1949","71","","679","683","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124870","14.1","","10.17","","7.16","","90","","90","","90","","1026.72","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(N H4)2 In Cl5 H2 O","","- Cl5 H10 In N2 O -","- Cl5 H10 In N2 O -","- Cl20 H40 In4 N8 O4 -","4","0.5","","Klug, H. P.; Kummer, E.; Alexander, L.","The Crystal Structure of Ammonium Pentachloroindate Monohydrate","Journal of the American Chemical Society","1948","70","","3064","3068","","","","","","","","","","","","","","","","","","","","","","has coordinates","189075","2020-10-21","18:00:00",""
"4124871","19.913","0.006","10.816","0.003","17.349","0.005","90","","96.843","0.004","90","","3710","1.9","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H42 N2 O -","- C49 H42 N2 O -","- C196 H168 N8 O4 -","4","1","","Yamaguchi, Tetsuo; Kobayashi, Yoichi; Abe, Jiro","Fast Negative Photochromism of 1,1'-Binaphthyl-Bridged Phenoxyl-Imidazolyl Radical Complex.","Journal of the American Chemical Society","2016","138","3","906","913","10.1021/jacs.5b10924","","","0.71073","MoKα","","0.1458","0.0584","","","0.1058","0.137","","","","","","0.934","","","","has coordinates,has disorder","175784","2020-10-21","18:00:00",""
"4124872","11.619","0.002","18.416","0.003","19.597","0.004","77.068","0.002","81.666","0.002","89.163","0.002","4043.1","1.3","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H45 N3 O -","- C51 H45 N3 O -","- C204 H180 N12 O4 -","4","2","","Yamaguchi, Tetsuo; Kobayashi, Yoichi; Abe, Jiro","Fast Negative Photochromism of 1,1'-Binaphthyl-Bridged Phenoxyl-Imidazolyl Radical Complex.","Journal of the American Chemical Society","2016","138","3","906","913","10.1021/jacs.5b10924","","","0.71073","MoKα","","0.0622","0.0425","","","0.1018","0.1104","","","","","","0.984","","","","has coordinates","175784","2020-10-21","18:00:00",""
"4124873","10.089","0.009","18.21","0.015","22.72","0.02","90","","99.557","0.014","90","","4116","6","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H48 N2 O3 -","- C53 H48 N2 O3 -","- C212 H192 N8 O12 -","4","1","","Yamaguchi, Tetsuo; Kobayashi, Yoichi; Abe, Jiro","Fast Negative Photochromism of 1,1'-Binaphthyl-Bridged Phenoxyl-Imidazolyl Radical Complex.","Journal of the American Chemical Society","2016","138","3","906","913","10.1021/jacs.5b10924","","","0.71073","MoKα","","0.14","0.0658","","","0.1585","0.1937","","","","","","0.986","","","","has coordinates","175784","2020-10-21","18:00:00",""
"4124874","10.2781","0.0004","12.6985","0.0004","15.9497","0.0005","90","","95.976","0.002","90","","2070.39","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H27 B Br2 O5 -","- C41 H27 B Br2 O5 -","- C82 H54 B2 Br4 O10 -","2","1","","Qi, Chao; Xiong, Yuan; Eschenbrenner-Lux, Vincent; Cong, Huan; Porco, Jr, John A","Asymmetric Syntheses of the Flavonoid Diels-Alder Natural Products Sanggenons C and O.","Journal of the American Chemical Society","2016","138","3","798","801","10.1021/jacs.5b12778","","","1.54178","CuKα","","0.0335","0.0328","","","0.0841","0.0845","","","","","","1.036","","","","has coordinates","175785","2020-10-21","18:00:00",""
"4124875","11.8799","0.001","12.0496","0.0012","14.8783","0.0013","90","","90","","90","","2129.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 Br O2 -","- C26 H23 Br O2 -","- C104 H92 Br4 O8 -","4","1","","Qi, Chao; Xiong, Yuan; Eschenbrenner-Lux, Vincent; Cong, Huan; Porco, Jr, John A","Asymmetric Syntheses of the Flavonoid Diels-Alder Natural Products Sanggenons C and O.","Journal of the American Chemical Society","2016","138","3","798","801","10.1021/jacs.5b12778","","","1.54178","CuKα","","0.0272","0.0245","","","0.0552","0.0569","","","","","","1.082","","","","has coordinates","175785","2020-10-21","18:00:00",""
"4124876","35.95","0.006","35.95","","13.522","0.002","90","","90","","120","","15135","3","190","2","190","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C132 H210 Cl6 Mn19 N66 O54 -","- C132 H210 Cl6 Mn19 N66 O54 -","- C396 H630 Cl18 Mn57 N198 O162 -","3","0.166667","","Deng, Yong-Kai; Su, Hai-Feng; Xu, Jia-Heng; Wang, Wen-Guang; Kurmoo, Mohamedally; Lin, Shui-Chao; Tan, Yuan-Zhi; Jia, Jiong; Sun, Di; Zheng, Lan-Sun","Hierarchical Assembly of a {Mn(II)15Mn(III)4} Brucite Disc: Step-by-Step Formation and Ferrimagnetism.","Journal of the American Chemical Society","2016","138","4","1328","1334","10.1021/jacs.5b11736","","","0.71073","MoKα","","0.2127","0.0757","","","0.1656","0.2186","","","","","","0.984","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4124877","17.156","0.0006","26.5424","0.0009","21.8954","0.0007","90","","96.76","0.003","90","","9901","0.6","240","2","240","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Au28(SC6H11)20","","","- C120 H220 Au28 S20 -","- C120 H220 Au28 S20 -","- C240 H440 Au56 S40 -","2","0.5","","Chen, Yuxiang; Liu, Chong; Tang, Qing; Zeng, Chenjie; Higaki, Tatsuya; Das, Anindita; Jiang, De-En; Rosi, Nathaniel L.; Jin, Rongchao","Isomerism in Au28(SR)20 Nanocluster and Stable Structures.","Journal of the American Chemical Society","2016","138","5","1482","1485","10.1021/jacs.5b12094","","","1.54178","CuKα","","0.1986","0.1081","","","0.2596","0.3335","","","","","","1.007","","","","has coordinates","177406","2020-10-21","18:00:00",""
"4124878","21.2586","0.0005","8.5005","0.0002","20.4725","0.0005","90","","117.999","0.001","90","","3266.55","0.14","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 F6 O Si -","- C15 H18 F6 O Si -","- C120 H144 F48 O8 Si8 -","8","2","","Martinez-Solorio, Dionicio; Melillo, Bruno; Sanchez, Luis; Liang, Yong; Lam, Erwin; Houk, K. N.; Smith, 3rd, Amos B","Design, Synthesis, and Validation of an Effective, Reusable Silicon-Based Transfer Agent for Room-Temperature Pd-Catalyzed Cross-Coupling Reactions of Aryl and Heteroaryl Chlorides with Readily Available Aryl Lithium Reagents.","Journal of the American Chemical Society","2016","138","6","1836","1839","10.1021/jacs.5b13260","","","0.71073","MoKα","","0.038","0.0312","","","0.08","0.0843","","","","","","1.077","","","","has coordinates","177404","2020-10-21","18:00:00",""
"4124879","90.538","0.007","27.809","0.002","48.343","0.003","90","","119.129","0.003","90","","106323","13","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C399 H382.5 Cd8 F48 N63.5 O72 S16 -","- C395.1 H373.5 Cd8 F36.3 N63.5 O60.3 S12.1 -","- C3160.8 H2988 Cd64 F290.4 N508 O482.4 S96.8 -","8","1","","Mosquera, Jesús; Ronson, Tanya K.; Nitschke, Jonathan R.","Subcomponent Flexibility Enables Conversion between D4-Symmetric Cd(II)8L8 and T-Symmetric Cd(II)4L4 Assemblies.","Journal of the American Chemical Society","2016","138","6","1812","1815","10.1021/jacs.5b12955","","","1.54178","CuKα","","0.146","0.1192","","","0.3429","0.3588","","","","","","1.372","","","","has coordinates,has disorder","177405","2020-10-21","18:00:00",""
"4124880","27.046","0.0005","27.046","0.0005","37.5383","0.0009","90","","90","","120","","23780","0.8","180","2","180","2","","","","","","","","7","P 63","P 6c","173","","","","- C190 H177 F24 N27 O36 S8 Zn4 -","- C189 H177 F20.9998 N27 O32.9999 S6.99995 Zn4 -","- C756 H707.999 F83.9994 N108 O131.999 S27.9998 Zn16 -","4","0.666667","","Mosquera, Jesús; Ronson, Tanya K.; Nitschke, Jonathan R.","Subcomponent Flexibility Enables Conversion between D4-Symmetric Cd(II)8L8 and T-Symmetric Cd(II)4L4 Assemblies.","Journal of the American Chemical Society","2016","138","6","1812","1815","10.1021/jacs.5b12955","","","1.54178","CuKα","","0.085","0.0617","","","0.1598","0.1711","","","","","","1.039","","","","has coordinates,has disorder","177405","2020-10-21","18:00:00",""
"4124881","15.285","0.005","17.908","0.005","8.083","0.002","90","","90","","90","","2212.5","1.1","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H27 F3 N O P -","- C23 H27 F3 N O P -","- C92 H108 F12 N4 O4 P4 -","4","1","","Yang, Youqing; Qiu, Xiaodong; Zhao, Yue; Mu, Yucheng; Shi, Zhuangzhi","Palladium-Catalyzed C-H Arylation of Indoles at the C7 Position.","Journal of the American Chemical Society","2016","138","2","495","498","10.1021/jacs.5b11569","","","0.71073","MoKα","","0.0566","0.0507","","","0.1439","0.1565","","","","","","1.097","","","","has coordinates","175680","2020-10-21","18:00:00",""
"4124882","17.5398","0.0013","14.2278","0.001","12.7212","0.001","90","","93.043","0.002","90","","3170.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 N O P -","- C16 H24 N O P -","- C128 H192 N8 O8 P8 -","8","2","","Yang, Youqing; Qiu, Xiaodong; Zhao, Yue; Mu, Yucheng; Shi, Zhuangzhi","Palladium-Catalyzed C-H Arylation of Indoles at the C7 Position.","Journal of the American Chemical Society","2016","138","2","495","498","10.1021/jacs.5b11569","","","0.71073","MoKα","","0.1074","0.092","","","0.1987","0.2053","","","","","","1.107","","","","has coordinates,has disorder","175681","2020-10-21","18:00:00",""
"4124883","12.662","0.008","16.276","0.011","19.793","0.013","90","","101.671","0.011","90","","3995","5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N O P -","- C22 H28 N O P -","- C176 H224 N8 O8 P8 -","8","2","","Yang, Youqing; Qiu, Xiaodong; Zhao, Yue; Mu, Yucheng; Shi, Zhuangzhi","Palladium-Catalyzed C-H Arylation of Indoles at the C7 Position.","Journal of the American Chemical Society","2016","138","2","495","498","10.1021/jacs.5b11569","","","0.71073","MoKα","","0.1292","0.0879","","","0.1851","0.2103","","","","","","1.111","","","","has coordinates","175682","2020-10-21","18:00:00",""
"4124884","7.771","0.004","19.1","0.01","14.003","0.007","90","","102.865","0.009","90","","2026.2","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 F N O P -","- C22 H27 F N O P -","- C88 H108 F4 N4 O4 P4 -","4","1","","Yang, Youqing; Qiu, Xiaodong; Zhao, Yue; Mu, Yucheng; Shi, Zhuangzhi","Palladium-Catalyzed C-H Arylation of Indoles at the C7 Position.","Journal of the American Chemical Society","2016","138","2","495","498","10.1021/jacs.5b11569","","","0.71073","MoKα","","0.0743","0.0571","","","0.1531","0.168","","","","","","1.052","","","","has coordinates","175683","2020-10-21","18:00:00",""
"4124885","13.9522","0.0013","7.8417","0.0007","11.3721","0.001","90","","110.787","0.003","90","","1163.22","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N O P -","- C12 H16 N O P -","- C48 H64 N4 O4 P4 -","4","1","","Yang, Youqing; Qiu, Xiaodong; Zhao, Yue; Mu, Yucheng; Shi, Zhuangzhi","Palladium-Catalyzed C-H Arylation of Indoles at the C7 Position.","Journal of the American Chemical Society","2016","138","2","495","498","10.1021/jacs.5b11569","","","0.71073","MoKα","","0.0634","0.0601","","","0.1905","0.1943","","","","","","0.829","","","","has coordinates","175684","2020-10-21","18:00:00",""
"4124886","8.3302","0.0013","9.3214","0.0014","16.577","0.003","76.866","0.002","76.336","0.003","67.324","0.002","1140.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 N O3 P -","- C24 H30 N O3 P -","- C48 H60 N2 O6 P2 -","2","1","","Yang, Youqing; Qiu, Xiaodong; Zhao, Yue; Mu, Yucheng; Shi, Zhuangzhi","Palladium-Catalyzed C-H Arylation of Indoles at the C7 Position.","Journal of the American Chemical Society","2016","138","2","495","498","10.1021/jacs.5b11569","","","0.71073","MoKα","","0.0732","0.0581","","","0.1733","0.1853","","","","","","1.096","","","","has coordinates","175685","2020-10-21","18:00:00",""
"4124887","21.8742","0.0004","23.4736","0.0005","9.0278","0.0002","90","","90","","90","","4635.47","0.17","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C35 H65 N9 O9 Si -","- C35 H65 N9 O9 Si -","- C140 H260 N36 O36 Si4 -","4","1","","Jones, Jennifer E.; Diemer, Vincent; Adam, Catherine; Raftery, James; Ruscoe, Rebecca E.; Sengel, Jason T.; Wallace, Mark I.; Bader, Antoine; Cockroft, Scott L.; Clayden, Jonathan; Webb, Simon J.","Length-Dependent Formation of Transmembrane Pores by 310-Helical α-Aminoisobutyric Acid Foldamers.","Journal of the American Chemical Society","2016","138","2","688","695","10.1021/jacs.5b12057","","","1.54178","CuKα","","0.0424","0.0399","","","0.1082","0.1103","","","","","","1.024","","","","has coordinates,has disorder","175686","2020-10-21","18:00:00",""
"4124888","9.3622","0.0003","16.3312","0.0004","17.9089","0.0006","88.577","0.002","75.902","0.002","73.812","0.002","2547.7","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H71 N11 O9 Si -","- C39 H71 N11 O9 Si -","- C78 H142 N22 O18 Si2 -","2","1","","Jones, Jennifer E.; Diemer, Vincent; Adam, Catherine; Raftery, James; Ruscoe, Rebecca E.; Sengel, Jason T.; Wallace, Mark I.; Bader, Antoine; Cockroft, Scott L.; Clayden, Jonathan; Webb, Simon J.","Length-Dependent Formation of Transmembrane Pores by 310-Helical α-Aminoisobutyric Acid Foldamers.","Journal of the American Chemical Society","2016","138","2","688","695","10.1021/jacs.5b12057","","","1.54178","CuKα","","0.1002","0.0801","","","0.2198","0.2372","","","","","","1.043","","","","has coordinates","175686","2020-10-21","18:00:00",""
"4124889","39.3342","0.0012","18.0326","0.0005","73.883","0.002","90","","96.068","0.002","90","","52111","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C49 H89 N13 O12 Si -","- C49 H89 N13 O12 Si -","- C1568 H2848 N416 O384 Si32 -","32","8","","Jones, Jennifer E.; Diemer, Vincent; Adam, Catherine; Raftery, James; Ruscoe, Rebecca E.; Sengel, Jason T.; Wallace, Mark I.; Bader, Antoine; Cockroft, Scott L.; Clayden, Jonathan; Webb, Simon J.","Length-Dependent Formation of Transmembrane Pores by 310-Helical α-Aminoisobutyric Acid Foldamers.","Journal of the American Chemical Society","2016","138","2","688","695","10.1021/jacs.5b12057","","","1.54178","CuKα","","0.0963","0.0801","","","0.22","0.2401","","","","","","1.032","","","","has coordinates,has disorder","175686","2020-10-21","18:00:00",""
"4124890","8.495","0.005","9.151","0.005","13.099","0.007","94.05","0.006","90.403","0.006","90.57","0.006","1015.7","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H3 F20 I O2 -","- C16 H3 F20 I O2 -","- C32 H6 F40 I2 O4 -","2","1","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71073","MoKα","","0.0858","0.0728","","","0.2446","0.2954","","","","","","1.236","","","","has coordinates","175687","2020-10-21","18:00:00",""
"4124891","11.9982","0.001","15.44","0.0013","15.5724","0.0014","90","","90","","90","","2884.8","0.4","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H23 F20 N O2 S -","- C24 H23 F20 N O2 S -","- C96 H92 F80 N4 O8 S4 -","4","0.5","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71075","MoKα","","0.0307","0.0291","","","0.0738","0.0751","","","","","","1.06","","","","has coordinates","175687","2020-10-21","18:00:00",""
"4124892","11.4151","0.0011","14.6893","0.0014","16.2421","0.0016","70.277","0.001","78.78","0.001","73.648","0.001","2445","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 F20 Li O6 S -","- C16 H3 F20 Li O6 S -","- C64 H12 F80 Li4 O24 S4 -","4","2","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71073","MoKα","","0.0508","0.0425","","","0.1151","0.1228","","","","","","1.024","","","","has coordinates","175687","2020-10-21","18:00:00",""
"4124893","11.6841","0.0008","15.377","0.001","17.5469","0.0012","90","","109.009","0.002","90","","2980.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 F20 N O2 Se -","- C24 H23 F20 N O2 Se -","- C96 H92 F80 N4 O8 Se4 -","4","1","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71075","MoKα","","0.063","0.043","","","0.0963","0.1062","","","","","","1.034","","","","has coordinates","175687","2020-10-21","18:00:00",""
"4124894","11.526","0.002","16.241","0.003","18.58","0.003","88.205","0.002","80.618","0.002","70.946","0.002","3242.6","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 F20 Li O6 Se -","- C24 H19 F20 Li O6 Se -","- C96 H76 F80 Li4 O24 Se4 -","4","2","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71073","MoKα","","0.0584","0.0498","","","0.1364","0.1422","","","","","","1.02","","","","has coordinates,has disorder","175687","2020-10-21","18:00:00",""
"4124895","11.8746","0.0008","11.499","0.0008","15.7717","0.0011","90","","104.091","0.002","90","","2088.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H3 F20 O2 S -","- C16 H3 F20 O2 S -","- C64 H12 F80 O8 S4 -","4","1","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71075","MoKα","","0.087","0.0699","","","0.1755","0.1883","","","","","","1.041","","","","has coordinates,has disorder","175687","2020-10-21","18:00:00",""
"4124896","11.7263","0.001","11.8526","0.001","15.8755","0.0013","90","","105.809","0.001","90","","2123","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H3 F20 O2 Se -","- C16 H3 F20 O2 Se -","- C64 H12 F80 O8 Se4 -","4","2","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71073","MoKα","","0.0667","0.0617","","","0.1723","0.1776","","","","","","1.066","","","","has coordinates","175687","2020-10-21","18:00:00",""
"4124897","8.8629","0.0006","9.8568","0.0007","11.5901","0.0008","64.8401","0.0009","72.8123","0.0009","89.6362","0.001","867.15","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Organic","Organic","","- C21 H17 Cl N2 O2 -","- C21 H17 Cl N2 O2 -","- C42 H34 Cl2 N4 O4 -","2","1","","Qiu, Huang; Srinivas, Harathi D.; Zavalij, Peter Y.; Doyle, Michael P.","Unprecedented Intramolecular [4 + 2]-Cycloaddition between a 1,3-Diene and a Diazo Ester.","Journal of the American Chemical Society","2016","138","6","1808","1811","10.1021/jacs.5b12877","","","0.71073","MoKα","","0.039","0.0347","","","0.071","0.0728","","","","","","1","","","","has coordinates","177403","2020-10-21","18:00:00",""
"4124898","37.08","0.002","5.9219","0.0004","16.7844","0.0011","90","","98.6252","0.001","90","","3643.9","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Br-compound","","- C21 H17 Br N2 O2 -","- C21 H17 Br N2 O2 -","- C168 H136 Br8 N16 O16 -","8","1","","Qiu, Huang; Srinivas, Harathi D.; Zavalij, Peter Y.; Doyle, Michael P.","Unprecedented Intramolecular [4 + 2]-Cycloaddition between a 1,3-Diene and a Diazo Ester.","Journal of the American Chemical Society","2016","138","6","1808","1811","10.1021/jacs.5b12877","","","0.71073","MoKα","","0.0469","0.0399","","","0.0945","0.0979","","","","","","1.063","","","","has coordinates,has disorder","177403","2020-10-21","18:00:00",""
"4124899","11.0904","0.0015","8.9712","0.0012","29.184","0.004","90","","99.062","0.003","90","","2867.4","0.7","98","","98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Br Cl2 N3 O4 -","- C32 H26 Br Cl2 N3 O4 -","- C128 H104 Br4 Cl8 N12 O16 -","4","1","","Qiu, Huang; Srinivas, Harathi D.; Zavalij, Peter Y.; Doyle, Michael P.","Unprecedented Intramolecular [4 + 2]-Cycloaddition between a 1,3-Diene and a Diazo Ester.","Journal of the American Chemical Society","2016","138","6","1808","1811","10.1021/jacs.5b12877","","","0.71075","MoKα","","0.0421","0.0369","","","0.0907","0.0946","","","","","","1.095","","","","has coordinates","177403","2020-10-21","18:00:00",""
"4124900","5.171","0.0002","17.976","0.0006","24.5859","0.0009","90","","90","","90","","2285.36","0.14","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23.5 H27 F6 N O2 -","- C23.5 H27 F6 N O2 -","- C94 H108 F24 N4 O8 -","4","1","","Zuo, Zhiwei; Cong, Huan; Li, Wei; Choi, Junwon; Fu, Gregory C.; MacMillan, David W. C.","Enantioselective Decarboxylative Arylation of α-Amino Acids via the Merger of Photoredox and Nickel Catalysis.","Journal of the American Chemical Society","2016","138","6","1832","1835","10.1021/jacs.5b13211","","","1.54178","CuKα","","0.0528","0.046","","","0.1056","0.1094","","","","","","1.047","","","","has coordinates,has disorder","177402","2020-10-21","18:00:00",""
"4124901","24.958","0.003","8.872","0.0013","16.619","0.002","90","","98.044","0.016","90","","3643.7","0.8","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H38 B2 Fe N8 O6 -","- C28 H38 B2 Fe N8 O6 -","- C112 H152 B8 Fe4 N32 O24 -","4","0.5","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","0.71073","MoKα","","0.1048","0.0929","","","0.215","0.2207","","","","","","1.096","","","","has coordinates,has disorder","177401","2020-10-21","18:00:00",""
"4124902","23.5385","0.0004","24.5623","0.0005","29.7285","0.0005","86.548","0.001","83.135","0.001","66.14","0.002","15604.9","0.5","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C140 H141 B24 F32 Fe8 N68 O52.5 Pd4 -","- C140 H140 B22.5 F26 Fe8 N68 O52.5 Pd4 -","- C280 H280 B45 F52 Fe16 N136 O105 Pd8 -","2","1","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","x-ray","0.6948","synchrotron","","0.1585","0.1308","","","0.3475","0.3727","","","","","","1.037","","","","has coordinates,has disorder","177401","2020-10-21","18:00:00",""
"4124903","40.4082","0.0007","31.9967","0.0004","48.1377","0.001","90","","112.142","0.003","90","","57649","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C352 H480 B32 F32 Fe12 N104 O72 Pd6 -","- C352 H480 B32 F32 Fe12 N104 O72 Pd6 -","- C1408 H1920 B128 F128 Fe48 N416 O288 Pd24 -","4","0.5","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","0.69561","synchrotron","","0.0928","0.0808","","","0.2266","0.2411","","","","","","1.049","","","","has coordinates","177401","2020-10-21","18:00:00",""
"4124904","23.908","0.005","8.0758","0.0016","16.326","0.003","90","","122.21","0.03","90","","2667","1.3","120","2","120.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 B2 Fe N8 O8 -","- C24 H26 B2 Fe N8 O8 -","- C96 H104 B8 Fe4 N32 O32 -","4","0.5","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","0.71073","MoKα","","0.0818","0.0523","","","0.1037","0.1177","","","","","","1.163","","","","has coordinates,has disorder","177401","2020-10-21","18:00:00",""
"4124905","28.113","0.001","28.7242","0.0011","29.266","0.0011","96.234","0.003","114.116","0.004","110.958","0.003","19222.6","1.6","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C244 H244 B12 F48 Fe10 N69 O70.5 S16 -","- C240.6 H244 B12 F37.8 Fe10 N67.3 O63.7 S12.6 -","- C481.2 H488 B24 F75.6 Fe20 N134.6 O127.4 S25.2 -","2","1","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","x-ray","0.6948","synchrotron","","0.1215","0.1097","","","0.2987","0.3078","","","","","","1.139","","","","has coordinates,has disorder","177401","2020-10-21","18:00:00",""
"4124906","6.6568","0.0009","12.4735","0.0019","13.0553","0.0018","61.706","0.003","85.502","0.003","75.77","0.003","924.3","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 B2 Fe N8 O6 -","- C16 H14 B2 Fe N8 O6 -","- C32 H28 B4 Fe2 N16 O12 -","2","1","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","0.71073","MoKα","","0.0468","0.0371","","","0.0924","0.0978","","","","","","1.025","","","","has coordinates","177401","2020-10-21","18:00:00",""
"4124907","28.0944","0.0009","28.0944","0.0009","184.156","0.007","90","","90","","120","","125880","7","135","2","135","2","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C270 H288 B12 F48 Fe10 N60 O42 Sb8 -","- C270 H288 B12 F34.8 Fe10 N60 O42 Sb6 -","- C3240 H3456 B144 F417.6 Fe120 N720 O504 Sb72 -","12","0.666667","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","1.54178","CuKα","","0.1191","0.1044","","","0.2693","0.2811","","","","","","1.05","","","","has coordinates,has disorder","177401","2020-10-21","18:00:00",""
"4124908","9.51433","0.00007","30.7713","0.0003","14.62555","0.00016","90","","91.4555","0.0007","90","","4280.52","0.07","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C32 H46 B2 Cl2 Fe N8 O8 -","- C32 H46 B2 Cl2 Fe N8 O8 -","- C128 H184 B8 Cl8 Fe4 N32 O32 -","4","2","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","0.715","synchrotron","","0.0547","0.0544","","","0.1484","0.149","","","","","","1.039","","","","has coordinates","177401","2020-10-21","18:00:00",""
"4124909","14.61747","0.00011","12.39563","0.00013","20.8854","0.0002","90","","90.6913","0.0008","90","","3784.01","0.06","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26.5 H42 B2 Cl2 Fe N8 O8.5 -","- C26.5 H42 B2 Cl2 Fe N8 O8.5 -","- C106 H168 B8 Cl8 Fe4 N32 O34 -","4","2","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","0.715","synchrotron","","0.056","0.0558","","","0.1436","0.1439","","","","","","1.064","","","","has coordinates","177401","2020-10-21","18:00:00",""
"4124910","11.958","0.002","9.5891","0.0016","14.538","0.003","90","","92.944","0.005","90","","1664.8","0.5","200","","200","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","2","","Uchida, Kazuyuki; Ito, Soichi; Nakano, Masayoshi; Abe, Manabu; Kubo, Takashi","Biphenalenylidene: Isolation and Characterization of the Reactive Intermediate on the Decomposition Pathway of Phenalenyl Radical.","Journal of the American Chemical Society","2016","138","7","2399","2410","10.1021/jacs.5b13033","","","0.71075","MoKα","","0.1298","0.0535","","","0.1602","0.2083","","","","","","0.887","","","","has coordinates,has disorder","177397","2020-10-21","18:00:00",""
"4124911","8.87","0.0007","9.1094","0.0008","12.6095","0.001","104.489","0.003","90.358","0.003","111.767","0.003","910.54","0.13","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Cl4 N O4 -","- C16 H15 Cl4 N O4 -","- C32 H30 Cl8 N2 O8 -","2","1","","Cornella, Josep; Edwards, Jacob T.; Qin, Tian; Kawamura, Shuhei; Wang, Jie; Pan, Chung-Mao; Gianatassio, Ryan; Schmidt, Michael; Eastgate, Martin D.; Baran, Phil S.","Practical Ni-Catalyzed Aryl-Alkyl Cross-Coupling of Secondary Redox-Active Esters.","Journal of the American Chemical Society","2016","138","7","2174","2177","10.1021/jacs.6b00250","","x-ray","0.71073","MoKα","","0.0755","0.0544","","","0.1273","0.14","","","","","","1.035","","","","has coordinates","177398","2020-10-21","18:00:00",""
"4124912","22.866","0.003","25.495","0.003","35.966","0.004","88.15","0.005","84.817","0.005","66.58","0.005","19161","4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C134 H108 F42 N35 O32 Re S14 Zn4 -","- C124 H108 F12 N30 O12 Re S4 Zn4 -","- C496 H432 F48 N120 O48 Re4 S16 Zn16 -","4","2","","Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Sequence-Dependent Guest Release Triggered by Orthogonal Chemical Signals.","Journal of the American Chemical Society","2016","138","7","2342","2351","10.1021/jacs.5b13016","","","0.6889","synchrotron","","0.101","0.0793","","","0.2283","0.247","","","","","","1.042","","","","has coordinates,has disorder","177396","2020-10-21","18:00:00",""
"4124913","24.768","0.005","30.452","0.006","33.974","0.007","79.78","0.03","85.57","0.03","86.58","0.03","25115","9","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C200 H150 F48 N34 O32 S16 Zn4 -","- C197.5 H150 F40.25 N33 O27.75 S13.75 Zn4 -","- C790 H600 F161 N132 O111 S55 Zn16 -","4","2","","Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Sequence-Dependent Guest Release Triggered by Orthogonal Chemical Signals.","Journal of the American Chemical Society","2016","138","7","2342","2351","10.1021/jacs.5b13016","","","0.71073","MoKα","","0.1576","0.1183","","","0.3162","0.344","","","","","","1.162","","","","has coordinates,has disorder","177396","2020-10-21","18:00:00",""
"4124914","32.4651","0.0017","31.6257","0.0014","23.6124","0.0011","90","","117.268","0.002","90","","21549.5","1.8","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C136 H108 F48 N36 O32 S16 Zn4 -","- C124 H108 F12 N30 O8 S4 Zn4 -","- C496 H432 F48 N120 O32 S16 Zn16 -","4","0.5","","Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Sequence-Dependent Guest Release Triggered by Orthogonal Chemical Signals.","Journal of the American Chemical Society","2016","138","7","2342","2351","10.1021/jacs.5b13016","","","1.54178","CuKα","","0.1398","0.1185","","","0.3286","0.3474","","","","","","1.022","","","","has coordinates","177396","2020-10-21","18:00:00",""
"4124915","15.4542","0.0013","11.4011","0.0011","16.302","0.0014","90","","100.951","0.006","90","","2820","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 I O4 Si -","- C27 H37 I O4 Si -","- C108 H148 I4 O16 Si4 -","4","1","","Hari, Durga Prasad; Waser, Jerome","Copper-Catalyzed Oxy-Alkynylation of Diazo Compounds with Hypervalent Iodine Reagents.","Journal of the American Chemical Society","2016","138","7","2190","2193","10.1021/jacs.6b00278","","","0.71073","MoKα","","0.0655","0.0367","","","0.0616","0.0729","","","","","","1.144","","","","has coordinates,has disorder","177399","2020-10-21","18:00:00",""
"4124916","10.31","0.0018","7.0317","0.0013","10.73","0.002","90","","117.339","0.003","90","","691","0.2","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C30 H36 N4 O4 -","2","0.5","","Kong, Wei-Jun; Liu, Yue-Jin; Xu, Hui; Chen, Yan-Qiao; Dai, Hui-Xiong; Yu, Jin-Quan","Pd-Catalyzed α-Selective C-H Functionalization of Olefins: En Route to 4-Imino-β-Lactams.","Journal of the American Chemical Society","2016","138","7","2146","2149","10.1021/jacs.5b13353","","","0.71073","MoKα","","0.062","0.0538","","","0.1389","0.1488","","","","","","1.048","","","","has coordinates","177395","2020-10-21","18:00:00",""
"4124917","10.6579","0.0019","18.645","0.003","7.3052","0.0012","90","","93.729","0.005","90","","1448.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","1","","Kong, Wei-Jun; Liu, Yue-Jin; Xu, Hui; Chen, Yan-Qiao; Dai, Hui-Xiong; Yu, Jin-Quan","Pd-Catalyzed α-Selective C-H Functionalization of Olefins: En Route to 4-Imino-β-Lactams.","Journal of the American Chemical Society","2016","138","7","2146","2149","10.1021/jacs.5b13353","","","0.71073","MoKα","","0.1223","0.0679","","","0.1545","0.1831","","","","","","1.037","","","","has coordinates","177395","2020-10-21","18:00:00",""
"4124918","7.237","0.003","11.544","0.005","16.87","0.008","90","","94.546","0.009","90","","1405","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","1","","Kong, Wei-Jun; Liu, Yue-Jin; Xu, Hui; Chen, Yan-Qiao; Dai, Hui-Xiong; Yu, Jin-Quan","Pd-Catalyzed α-Selective C-H Functionalization of Olefins: En Route to 4-Imino-β-Lactams.","Journal of the American Chemical Society","2016","138","7","2146","2149","10.1021/jacs.5b13353","","","0.71073","MoKα","","0.1289","0.1073","","","0.2936","0.3171","","","","","","1.089","","","","has coordinates","177395","2020-10-21","18:00:00",""
"4124919","9.2394","0.0019","15.092","0.003","16.25","0.003","90","","97.337","0.004","90","","2247.4","0.8","130","2","130","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C35 H51 Cl2 F6 Fe N5 O6 S2 Si -","- C35 H51 Cl2 F6 Fe N5 O6 S2 Si -","- C70 H102 Cl4 F12 Fe2 N10 O12 S4 Si2 -","2","1","","Cussó, Olaf; Cianfanelli, Marco; Ribas, Xavi; Klein Gebbink, Robertus J. M.; Costas, Miquel","Iron Catalyzed Highly Enantioselective Epoxidation of Cyclic Aliphatic Enones with Aqueous H2O2.","Journal of the American Chemical Society","2016","138","8","2732","2738","10.1021/jacs.5b12681","","","0.71073","MoKα","","0.1194","0.0596","","","0.1178","0.1367","","","","","","1.006","","","","has coordinates","177409","2020-10-21","18:00:00",""
"4124920","40.347","0.003","14.3228","0.0011","33.253","0.002","90","","102.448","0.002","90","","18765","2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H142 Br3 Dy0.05 O9 P4 Y0.95 -","- C72 H142 Br3 Dy0.05 O9 P4 Y0.95 -","- C576 H1136 Br24 Dy0.4 O72 P32 Y7.6 -","8","1","","Chen, Yan-Cong; Liu, Jun-Liang; Ungur, Liviu; Liu, Jiang; Li, Quan-Wen; Wang, Long-Fei; Ni, Zhao-Ping; Chibotaru, Liviu F.; Chen, Xiao-Ming; Tong, Ming-Liang","Symmetry-Supported Magnetic Blocking at 20 K in Pentagonal Bipyramidal Dy(III) Single-Ion Magnets.","Journal of the American Chemical Society","2016","138","8","2829","2837","10.1021/jacs.5b13584","","","0.71073","MoKα","","0.1187","0.0596","","","0.121","0.1457","","","","","","0.978","","","","has coordinates","177408","2020-10-21","18:00:00",""
"4124921","40.4082","0.0015","14.2356","0.0007","33.0134","0.0014","90","","102.663","0.001","90","","18528.5","1.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H142 Br3 Dy O9 P4 -","- C72 H142 Br3 Dy O9 P4 -","- C576 H1136 Br24 Dy8 O72 P32 -","8","1","","Chen, Yan-Cong; Liu, Jun-Liang; Ungur, Liviu; Liu, Jiang; Li, Quan-Wen; Wang, Long-Fei; Ni, Zhao-Ping; Chibotaru, Liviu F.; Chen, Xiao-Ming; Tong, Ming-Liang","Symmetry-Supported Magnetic Blocking at 20 K in Pentagonal Bipyramidal Dy(III) Single-Ion Magnets.","Journal of the American Chemical Society","2016","138","8","2829","2837","10.1021/jacs.5b13584","","","0.71073","MoKα","","0.0755","0.0545","","","0.1265","0.1342","","","","","","1.064","","","","has coordinates","177408","2020-10-21","18:00:00",""
"4124922","11.7472","0.0005","29.5882","0.0011","19.4338","0.0008","90","","97.434","0.002","90","","6698","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H117 Cl3 Dy O10 P3 -","- C56 H117 Cl3 Dy O10 P3 -","- C224 H468 Cl12 Dy4 O40 P12 -","4","1","","Chen, Yan-Cong; Liu, Jun-Liang; Ungur, Liviu; Liu, Jiang; Li, Quan-Wen; Wang, Long-Fei; Ni, Zhao-Ping; Chibotaru, Liviu F.; Chen, Xiao-Ming; Tong, Ming-Liang","Symmetry-Supported Magnetic Blocking at 20 K in Pentagonal Bipyramidal Dy(III) Single-Ion Magnets.","Journal of the American Chemical Society","2016","138","8","2829","2837","10.1021/jacs.5b13584","","","0.71073","MoKα","","0.1088","0.0605","","","0.1132","0.1324","","","","","","1.018","","","","has coordinates","177408","2020-10-21","18:00:00",""
"4124923","11.7525","0.0008","29.615","0.002","19.4336","0.0015","90","","97.389","0.002","90","","6707.7","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H117 Cl3 Dy0.05 O10 P3 Y0.95 -","- C56 H117 Cl3 Dy0.05 O10 P3 Y0.95 -","- C224 H468 Cl12 Dy0.2 O40 P12 Y3.8 -","4","1","","Chen, Yan-Cong; Liu, Jun-Liang; Ungur, Liviu; Liu, Jiang; Li, Quan-Wen; Wang, Long-Fei; Ni, Zhao-Ping; Chibotaru, Liviu F.; Chen, Xiao-Ming; Tong, Ming-Liang","Symmetry-Supported Magnetic Blocking at 20 K in Pentagonal Bipyramidal Dy(III) Single-Ion Magnets.","Journal of the American Chemical Society","2016","138","8","2829","2837","10.1021/jacs.5b13584","","","0.71073","MoKα","","0.108","0.0569","","","0.1227","0.1476","","","","","","1.063","","","","has coordinates","177408","2020-10-21","18:00:00",""
"4124924","3.9984","0.0002","3.9984","0.0002","10.3696","0.0006","90","","90","","90","","165.781","0.015","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","2014/7","","- As2 Ca0.9 Co1.906 Eu0.1 -","- As2 Ca0.901 Co1.906 Eu0.099 -","- As4 Ca1.802 Co3.812 Eu0.198 -","2","0.0625","","Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael","A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca).","Journal of the American Chemical Society","2016","138","8","2724","2731","10.1021/jacs.5b12659","","","0.71073","MoKα","","0.026","0.0257","","","0.0578","0.058","","","","","","1.2","","","","has coordinates","177410","2020-10-21","18:00:00",""
"4124925","3.9927","0.0002","3.9927","0.0002","10.3133","0.0006","90","","90","","90","","164.411","0.015","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","2014/7","","- As2 Ca Co1.87 -","- As2 Ca Co1.874 -","- As4 Ca2 Co3.748 -","2","0.0625","","Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael","A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca).","Journal of the American Chemical Society","2016","138","8","2724","2731","10.1021/jacs.5b12659","","","0.71073","MoKα","","0.0204","0.02","","","0.0476","0.0477","","","","","","1.161","","","","has coordinates","177410","2020-10-21","18:00:00",""
"4124926","4.0018","0.0002","4.0018","0.0002","10.3726","0.0008","90","","90","","90","","166.111","0.017","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","2014/7","","- As2 Ca0.845 Co1.888 La0.155 -","- As2 Ca0.845 Co1.888 La0.155 -","- As4 Ca1.69 Co3.776 La0.31 -","2","0.0625","","Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael","A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca).","Journal of the American Chemical Society","2016","138","8","2724","2731","10.1021/jacs.5b12659","","","0.71073","MoKα","","0.0337","0.0256","","","0.0643","0.071","","","","","","1.188","","","","has coordinates","177410","2020-10-21","18:00:00",""
"4124927","3.929","0.0013","3.929","0.0013","11.512","0.004","90","","90","","90","","177.71","0.1","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","2014/7","","- As2 Co2 Eu -","- As2 Co1.996 Eu -","- As4 Co3.992 Eu2 -","2","0.0625","","Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael","A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca).","Journal of the American Chemical Society","2016","138","8","2724","2731","10.1021/jacs.5b12659","","","0.71073","MoKα","","0.0191","0.0188","","","0.0494","0.0496","","","","","","1.259","","","","has coordinates","177410","2020-10-21","18:00:00",""
"4124928","8.7222","0.0002","9.0474","0.0003","13.4007","0.0004","72.361","0.002","82.014","0.002","89.406","0.002","997.44","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13.5 H16 Cu F6 N6 S2 -","- C13.5 H16 Cu F6 N6 S2 -","- C27 H32 Cu2 F12 N12 S4 -","2","1","","Xie, Da; King, Tyler L.; Banerjee, Arnab; Kohli, Vikraant; Que, Emily L.","Exploiting Copper Redox for (19)F Magnetic Resonance-Based Detection of Cellular Hypoxia.","Journal of the American Chemical Society","2016","138","9","2937","2940","10.1021/jacs.5b13215","","","1.54184","CuKα","","0.0381","0.036","","","0.0989","0.1012","","","","","","0.926","","","","has coordinates,has disorder","181435","2020-10-21","18:00:00",""
"4124929","18.3804","0.0012","4.2514","0.0003","19.3037","0.001","90","","98.606","0.006","90","","1491.45","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 Cu F3 N6 S2 -","- C9 H13 Cu F3 N6 S2 -","- C36 H52 Cu4 F12 N24 S8 -","4","1","","Xie, Da; King, Tyler L.; Banerjee, Arnab; Kohli, Vikraant; Que, Emily L.","Exploiting Copper Redox for (19)F Magnetic Resonance-Based Detection of Cellular Hypoxia.","Journal of the American Chemical Society","2016","138","9","2937","2940","10.1021/jacs.5b13215","","","1.54184","CuKα","","0.0568","0.0463","","","0.1186","0.1262","","","","","","1.018","","","","has coordinates","181435","2020-10-21","18:00:00",""
"4124930","10.043","0.002","21.568","0.005","22.489","0.005","90.129","0.008","90.63","0.008","96.237","0.008","4842.1","1.8","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.25 H77 N5 O P Si2 -","- C48.25 H77 N5 O P Si2 -","- C193 H308 N20 O4 P4 Si8 -","4","2","","Troadec, Thibault; Lopez Reyes, Morelia; Rodriguez, Ricardo; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Donor-Stabilized Silacyclobutanone: A Precursor of 1-Silaketene via Retro-[2 + 2]-Cycloaddition Reaction at Room Temperature.","Journal of the American Chemical Society","2016","138","9","2965","2968","10.1021/jacs.6b00631","","","0.71073","MoKα","","0.284","0.0855","","","0.1308","0.1913","","","","","","0.919","","","","has coordinates,has disorder","181436","2020-10-21","18:00:00",""
"4124931","12.4232","0.0006","26.8031","0.0013","18.2009","0.0008","90","","102.66","0.002","90","","5913.2","0.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60.5 H78 N3 O P Si2 -","- C60.5 H78 N3 O P Si2 -","- C242 H312 N12 O4 P4 Si8 -","4","1","","Troadec, Thibault; Lopez Reyes, Morelia; Rodriguez, Ricardo; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Donor-Stabilized Silacyclobutanone: A Precursor of 1-Silaketene via Retro-[2 + 2]-Cycloaddition Reaction at Room Temperature.","Journal of the American Chemical Society","2016","138","9","2965","2968","10.1021/jacs.6b00631","","","0.71073","MoKα","","0.0858","0.0676","","","0.1912","0.2065","","","","","","1.096","","","","has coordinates,has disorder","181436","2020-10-21","18:00:00",""
"4124932","15.3555","0.0015","15.3555","0.0015","30.769","0.003","90","","90","","120","","6283.1","1.1","193","2","193","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C84 H132 N6 O5 P2 Si4 -","- C84 H132 N6 O5 P2 Si4 -","- C252 H396 N18 O15 P6 Si12 -","3","0.5","","Troadec, Thibault; Lopez Reyes, Morelia; Rodriguez, Ricardo; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Donor-Stabilized Silacyclobutanone: A Precursor of 1-Silaketene via Retro-[2 + 2]-Cycloaddition Reaction at Room Temperature.","Journal of the American Chemical Society","2016","138","9","2965","2968","10.1021/jacs.6b00631","","","0.71073","MoKα","","0.0809","0.066","","","0.1561","0.1649","","","","","","1.066","","","","has coordinates,has disorder","181436","2020-10-21","18:00:00",""
"4124933","19.603","0.004","13.44","0.003","22.585","0.004","90","","110.951","0.008","90","","5557","2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H78 N3 O P Si3 -","- C62 H78 N3 O P Si3 -","- C248 H312 N12 O4 P4 Si12 -","4","1","","Troadec, Thibault; Lopez Reyes, Morelia; Rodriguez, Ricardo; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Donor-Stabilized Silacyclobutanone: A Precursor of 1-Silaketene via Retro-[2 + 2]-Cycloaddition Reaction at Room Temperature.","Journal of the American Chemical Society","2016","138","9","2965","2968","10.1021/jacs.6b00631","","","0.71073","MoKα","","0.1453","0.0604","","","0.1167","0.1455","","","","","","1.004","","","","has coordinates","181436","2020-10-21","18:00:00",""
"4124934","9.26","0.006","13.682","0.009","14.851","0.009","108.401","0.003","98.141","0.005","109.143","0.008","1622.3","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H30 Cl2 N2 S -","- C44 H30 Cl2 N2 S -","- C88 H60 Cl4 N4 S2 -","2","1","","Hong, Jung-Ho; Aslam, Adil S.; Ishida, Masatoshi; Mori, Shigeki; Furuta, Hiroyuki; Cho, Dong-Gyu","2-(Naphthalen-1-yl)thiophene as a New Motif for Porphyrinoids: Meso-Fused Carbaporphyrin.","Journal of the American Chemical Society","2016","138","15","4992","4995","10.1021/jacs.6b01063","","","0.71075","MoKα","","0.1109","0.0891","","","0.2187","0.236","","","","","","1.021","","","","has coordinates","182497","2020-10-21","18:00:00",""
"4124935","9.169","0.003","13.469","0.005","15.617","0.006","107.223","0.004","100.014","0.005","102.029","0.004","1743.5","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H36 N2 O Pd S -","- C47 H36 N2 O Pd S -","- C94 H72 N4 O2 Pd2 S2 -","2","1","","Hong, Jung-Ho; Aslam, Adil S.; Ishida, Masatoshi; Mori, Shigeki; Furuta, Hiroyuki; Cho, Dong-Gyu","2-(Naphthalen-1-yl)thiophene as a New Motif for Porphyrinoids: Meso-Fused Carbaporphyrin.","Journal of the American Chemical Society","2016","138","15","4992","4995","10.1021/jacs.6b01063","","","0.71075","MoKα","","0.0423","0.0378","","","0.076","0.0785","","","","","","1.072","","","","has coordinates,has disorder","182497","2020-10-21","18:00:00",""
"4124936","42.258","0.019","20.861","0.009","43.42","0.03","90","","114.457","0.005","90","","34842","3","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C280 H364 Au44 S28 -","- C280 H364 Au44 S28 -","- C1120 H1456 Au176 S112 -","4","0.5","","Zeng, Chenjie; Chen, Yuxiang; Iida, Kenji; Nobusada, Katsuyuki; Kirschbaum, Kristin; Lambright, Kelly J.; Jin, Rongchao","Gold Quantum Boxes: On the Periodicities and the Quantum Confinement in the Au28, Au36, Au44, and Au52 Magic Series.","Journal of the American Chemical Society","2016","138","12","3950","","10.1021/jacs.5b12747","","","0.71073","MoKα","","0.1896","0.114","","","0.1809","0.1944","","","","","","2.633","","","","has coordinates,has disorder","181429","2020-10-21","18:00:00",""
"4124937","12.802","0.0015","13.5388","0.0015","20.551","0.002","89.663","0.004","89.314","0.003","89.923","0.003","3561.7","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H59 Lu O Si4 -","- C28 H59 Lu O Si4 -","- C112 H236 Lu4 O4 Si16 -","4","2","","Conley, Matthew P.; Lapadula, Giuseppe; Sanders, Kevin; Gajan, David; Lesage, Anne; Del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Copéret, Christophe; Andersen, Richard A.","The Nature of Secondary Interactions at Electrophilic Metal Sites of Molecular and Silica-Supported Organolutetium Complexes from Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2016","138","11","3831","3843","10.1021/jacs.6b00071","","x-ray","0.71073","MoKα","","0.1059","0.0801","","","0.1761","0.1925","","","","","","1.198","","","","has coordinates,has disorder","181433","2020-10-21","18:00:00",""
"4124938","16.1659","0.0003","16.1659","0.0003","8.57041","0.00016","90","","90","","120","","1939.69","0.06","100","","100","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C24 H57 Lu Si6.73 -","- C24 H57 Lu Si6.737 -","- C48 H114 Lu2 Si13.474 -","2","0.333333","","Conley, Matthew P.; Lapadula, Giuseppe; Sanders, Kevin; Gajan, David; Lesage, Anne; Del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Copéret, Christophe; Andersen, Richard A.","The Nature of Secondary Interactions at Electrophilic Metal Sites of Molecular and Silica-Supported Organolutetium Complexes from Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2016","138","11","3831","3843","10.1021/jacs.6b00071","","","0.71073","MoKα","","0.0277","0.0252","","","0.055","0.0558","","","","","","1.095","","","","has coordinates","181433","2020-10-21","18:00:00",""
"4124939","12.6449","0.001","14.338","0.0011","22.5972","0.0018","69.3403","0.0014","77.9753","0.0014","89.5638","0.0014","3739.6","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C140 H244 Lu4 O8 Si8 -","- C140 H244 Lu4 O8 Si8 -","- C140 H244 Lu4 O8 Si8 -","1","0.5","","Conley, Matthew P.; Lapadula, Giuseppe; Sanders, Kevin; Gajan, David; Lesage, Anne; Del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Copéret, Christophe; Andersen, Richard A.","The Nature of Secondary Interactions at Electrophilic Metal Sites of Molecular and Silica-Supported Organolutetium Complexes from Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2016","138","11","3831","3843","10.1021/jacs.6b00071","","x-ray","0.71073","MoKα","","0.0665","0.0427","","","0.0899","0.0989","","","","","","0.99","","","","has coordinates","181433","2020-10-21","18:00:00",""
"4124940","6.47304","0.00018","15.3437","0.0003","8.7824","0.0002","90","","106.276","0.003","90","","837.31","0.04","100","0.1","100","0.1","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C38 H40 N4 O6 -","2","1","","Izquierdo, Joseba; Landa, Aitor; Bastida, Iñaki; López, Rosa; Oiarbide, Mikel; Palomo, Claudio","Base-Catalyzed Asymmetric α-Functionalization of 2-(Cyanomethyl)azaarene N-Oxides Leading to Quaternary Stereocenters.","Journal of the American Chemical Society","2016","138","10","3282","3285","10.1021/jacs.5b13385","","x-ray","1.54184","CuKα","","0.0376","0.0368","","","0.0936","0.0944","","","","","","1.068","","","","has coordinates","181426","2020-10-21","18:00:00",""
"4124941","10.8427","0.0002","11.51906","0.00018","12.7877","0.0003","90","","107.159","0.002","90","","1526.06","0.05","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C30 H31 N5 O8 -","- C30 H31 N5 O8 -","- C60 H62 N10 O16 -","2","1","","Izquierdo, Joseba; Landa, Aitor; Bastida, Iñaki; López, Rosa; Oiarbide, Mikel; Palomo, Claudio","Base-Catalyzed Asymmetric α-Functionalization of 2-(Cyanomethyl)azaarene N-Oxides Leading to Quaternary Stereocenters.","Journal of the American Chemical Society","2016","138","10","3282","3285","10.1021/jacs.5b13385","","x-ray","1.54184","CuKα","","0.0432","0.0389","","","0.1008","0.1047","","","","","","1.038","","","","has coordinates","181426","2020-10-21","18:00:00",""
"4124942","10.2159","0.0005","9.57","0.0004","19.2612","0.001","90","","93.705","0.002","90","","1879.16","0.16","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Br N Si -","- C20 H20 Br N Si -","- C80 H80 Br4 N4 Si4 -","4","1","","Ma, Yuanhong; Wang, Baoli; Zhang, Liang; Hou, Zhaomin","Boron-Catalyzed Aromatic C-H Bond Silylation with Hydrosilanes.","Journal of the American Chemical Society","2016","138","11","3663","3666","10.1021/jacs.6b01349","","","0.71073","MoKα","","0.0379","0.0303","","","0.0753","0.0806","","","","","","1.06","","","","has coordinates","181434","2020-10-21","18:00:00",""
"4124943","16.8026","0.0017","26.903","0.003","18.9027","0.0019","90","","93.495","0.002","90","","8528.9","1.5","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H33 Co2 F18 N6 O6.88 P3 -","- C32 H33 Co2 F18 N6 O6.88 P3 -","- C256 H264 Co16 F144 N48 O55.04 P24 -","8","1","","Ullman, Andrew M.; Brodsky, Casey N.; Li, Nancy; Zheng, Shao-Liang; Nocera, Daniel G.","Probing Edge Site Reactivity of Oxidic Cobalt Water Oxidation Catalysts.","Journal of the American Chemical Society","2016","138","12","4229","","10.1021/jacs.6b00762","","","0.71073","MoKα","","0.0417","0.0393","","","0.1188","0.1207","","","","","","1.041","","","","has coordinates,has disorder","181430","2020-10-21","18:00:00",""
"4124944","13.602","0.004","34.516","0.011","24.963","0.008","90","","105.046","0.005","90","","11318","6","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C160 H146 Cl11 Co10 N30 O102 P5 -","- C160 H146 Cl11.004 Co10 N30 O102 P5 -","- C320 H292 Cl22.008 Co20 N60 O203.999 P10 -","2","0.5","","Ullman, Andrew M.; Brodsky, Casey N.; Li, Nancy; Zheng, Shao-Liang; Nocera, Daniel G.","Probing Edge Site Reactivity of Oxidic Cobalt Water Oxidation Catalysts.","Journal of the American Chemical Society","2016","138","12","4229","","10.1021/jacs.6b00762","","","0.71073","MoKα","","0.1089","0.0764","","","0.2072","0.228","","","","","","1.068","","","","has coordinates,has disorder","181430","2020-10-21","18:00:00",""
"4124945","10.458","0.002","10.973","0.002","23.741","0.005","90","","90","","90","","2724.4","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 N3 O7 S2 -","- C29 H25 N3 O7 S2 -","- C116 H100 N12 O28 S8 -","4","1","","Li, Yong; Zhu, Shugao; Li, Jian; Li, Ang","Asymmetric Total Syntheses of Aspidodasycarpine, Lonicerine, and the Proposed Structure of Lanciferine.","Journal of the American Chemical Society","2016","138","12","3982","","10.1021/jacs.6b00764","","","1.54178","CuKα","","0.041","0.0404","","","0.1108","0.1114","","","","","","1.04","","","","has coordinates","181428","2020-10-21","18:00:00",""
"4124946","9.9032","0.0009","16.5182","0.0016","17.4642","0.0016","90","","101.444","0.002","90","","2800.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 N2 O4 S -","- C32 H34 N2 O4 S -","- C128 H136 N8 O16 S4 -","4","1","","Li, Yong; Zhu, Shugao; Li, Jian; Li, Ang","Asymmetric Total Syntheses of Aspidodasycarpine, Lonicerine, and the Proposed Structure of Lanciferine.","Journal of the American Chemical Society","2016","138","12","3982","","10.1021/jacs.6b00764","","","0.71073","MoKα","","0.0735","0.053","","","0.1383","0.1521","","","","","","1.03","","","","has coordinates","181428","2020-10-21","18:00:00",""
"4124947","7.9051","0.0008","12.8088","0.0012","17.3521","0.0017","93.167","0.002","98.943","0.002","92.014","0.002","1731.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H36 N2 O8 S -","- C35 H36 N2 O8 S -","- C70 H72 N4 O16 S2 -","2","1","","Li, Yong; Zhu, Shugao; Li, Jian; Li, Ang","Asymmetric Total Syntheses of Aspidodasycarpine, Lonicerine, and the Proposed Structure of Lanciferine.","Journal of the American Chemical Society","2016","138","12","3982","","10.1021/jacs.6b00764","","","0.71073","MoKα","","0.0693","0.054","","","0.1674","0.178","","","","","","1.049","","","","has coordinates,has disorder","181428","2020-10-21","18:00:00",""
"4124948","10.4203","0.001","20.5076","0.0019","15.4032","0.0015","90","","91.771","0.005","90","","3290","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","trp011414","trp011414","","- C27 H46 B F3 N6 O3 S Zn -","- C27 H46 B F3 N6 O3 S Zn -","- C108 H184 B4 F12 N24 O12 S4 Zn4 -","4","1","","Hayes, Ellen C.; Porter, Thomas R.; Barrows, Charles J.; Kaminsky, Werner; Mayer, James M.; Stoll, Stefan","Electronic Structure of a Cu(II)-Alkoxide Complex Modeling Intermediates in Copper-Catalyzed Alcohol Oxidations.","Journal of the American Chemical Society","2016","138","12","4132","","10.1021/jacs.5b13088","","","0.71073","MoKα","","0.1007","0.069","","","0.1576","0.1813","","","","","","1.14","","","","has coordinates,has disorder","181431","2020-10-21","18:00:00",""
"4124949","10.364","0.0004","10.9643","0.0004","18.9571","0.0008","88.362","0.002","84.43","0.002","83.401","0.002","2129.46","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H63 Fe K N2 O P3 Si -","- C40 H63 Fe K N2 O P3 Si -","- C80 H126 Fe2 K2 N4 O2 P6 Si2 -","2","1","","Rittle, Jonathan; Peters, Jonas C.","An Fe-N2 Complex That Generates Hydrazine and Ammonia via Fe═NNH2: Demonstrating a Hybrid Distal-to-Alternating Pathway for N2 Reduction.","Journal of the American Chemical Society","2016","138","12","4243","","10.1021/jacs.6b01230","","","1.54178","CuKα","","0.0841","0.0607","","","0.1375","0.1502","","","","","","1.03","","","","has coordinates,has disorder","181427","2020-10-21","18:00:00",""
"4124950","12.9079","0.0007","16.5462","0.0009","19.6878","0.0012","75.755","0.003","77.192","0.003","78.758","0.003","3930.1","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C76.3 H85 B F24 Fe N2 O2 P3 Si -","- C76.3 H85 B F24 Fe N2 O2 P3 Si -","- C152.6 H170 B2 F48 Fe2 N4 O4 P6 Si2 -","2","1","","Rittle, Jonathan; Peters, Jonas C.","An Fe-N2 Complex That Generates Hydrazine and Ammonia via Fe═NNH2: Demonstrating a Hybrid Distal-to-Alternating Pathway for N2 Reduction.","Journal of the American Chemical Society","2016","138","12","4243","","10.1021/jacs.6b01230","","","0.71073","MoKα","","0.0653","0.0437","","","0.118","0.1256","","","","","","1.077","","","","has coordinates,has disorder","181427","2020-10-21","18:00:00",""
"4124951","27.371","0.003","12.5437","0.0011","31.967","0.003","90","","108.726","0.003","90","","10394.4","1.8","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C45.5 H67.35 F3 Fe N2 O5 P3 S Si -","- C45.5 H67.352 F3 Fe N2 O5 P3 S Si -","- C364 H538.816 F24 Fe8 N16 O40 P24 S8 Si8 -","8","1","","Rittle, Jonathan; Peters, Jonas C.","An Fe-N2 Complex That Generates Hydrazine and Ammonia via Fe═NNH2: Demonstrating a Hybrid Distal-to-Alternating Pathway for N2 Reduction.","Journal of the American Chemical Society","2016","138","12","4243","","10.1021/jacs.6b01230","","","0.71073","MoKα","","0.0566","0.0424","","","0.1023","0.109","","","","","","1.051","","","","has coordinates,has disorder","181427","2020-10-21","18:00:00",""
"4124952","20.9744","0.0009","14.6729","0.0007","13.7649","0.0008","90","","90","","90","","4236.2","0.4","100","2","100","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C39 H60 F3 Fe N2 O3 P3 S Si -","- C39 H60 F3 Fe N2 O3 P3 S Si -","- C156 H240 F12 Fe4 N8 O12 P12 S4 Si4 -","4","1","","Rittle, Jonathan; Peters, Jonas C.","An Fe-N2 Complex That Generates Hydrazine and Ammonia via Fe═NNH2: Demonstrating a Hybrid Distal-to-Alternating Pathway for N2 Reduction.","Journal of the American Chemical Society","2016","138","12","4243","","10.1021/jacs.6b01230","","","0.71073","MoKα","","0.0367","0.0321","","","0.0766","0.0786","","","","","","1.061","","","","has coordinates,has disorder","181427","2020-10-21","18:00:00",""
"4124953","10.3195","0.0009","10.8239","0.001","19.347","0.0017","78.665","0.005","78.078","0.005","62.522","0.004","1863.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H60 Fe N2 P3 Si -","- C38 H60 Fe N2 P3 Si -","- C76 H120 Fe2 N4 P6 Si2 -","2","1","","Rittle, Jonathan; Peters, Jonas C.","An Fe-N2 Complex That Generates Hydrazine and Ammonia via Fe═NNH2: Demonstrating a Hybrid Distal-to-Alternating Pathway for N2 Reduction.","Journal of the American Chemical Society","2016","138","12","4243","","10.1021/jacs.6b01230","","","0.71073","MoKα","","0.032","0.0269","","","0.0681","0.071","","","","","","1.029","","","","has coordinates","181427","2020-10-21","18:00:00",""
"4124954","9.8048","0.0012","9.0206","0.001","5.31486","0.00065","90","","106.544","0.0043","90","","450.61","0.09","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Ca1.44 Mg1.44 Na2.56 O24 Sc2.56 Si8 -","- Ca1.44 Mg1.44 Na2.56 O24 Sc2.56 Si8 -","- Ca1.44 Mg1.44 Na2.56 O24 Sc2.56 Si8 -","1","0.125","","Zhiguo Xia; Guokui Liu; Jianguo Wen; Zhigang Mei; Mahalingam Balasubramanian; Maxim S. Molokeev; Licong Peng; Lin Gu; Dean J. Miller; Quanlin Liu; Kenneth R. Poeppelmeier","Tuning of Photoluminescence by Cation Nanosegregation in the (CaMg)x(NaSc)1-xSi2O6 Solid Solution","Journal of the American Chemical Society","2016","138","4","1158","1161","10.1021/jacs.5b12788","powder diffraction","x-ray","0.4246","synchrotron","","","","","","","","","1.52","1.469","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124955","23.873","0.005","8.3386","0.0018","42.097","0.009","90","","100.33","0.003","90","","8244","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 N0.68 O8 Si4 -","- C40 H48 N0.68 O8 Si4 -","- C320 H384 N5.44 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0771","0.0536","","","0.1271","0.1367","","","","","","1.036","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124956","23.804","0.003","8.3344","0.0011","42.266","0.005","90","","99.346","0.002","90","","8273.9","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 O8 Si4 Xe0.79 -","- C40 H48 O8 Si4 Xe0.79 -","- C320 H384 O64 Si32 Xe6.32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0424","0.0367","","","0.0835","0.0861","","","","","","1.024","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124957","23.828","0.003","8.3065","0.0009","42.146","0.004","90","","99.653","0.001","90","","8223.7","1.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.8 H50.4 F0.8 O8 Si4 -","- C40.8 H50.4 F0.8 O8 Si4 -","- C326.4 H403.2 F6.4 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0778","0.0543","","","0.1114","0.1187","","","","","","1.039","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124958","23.834","0.003","8.3285","0.0012","42.189","0.006","90","","99.798","0.002","90","","8252","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40.84 H51.36 O8 Si4 -","- C40.84 H48 O8 Si4 -","- C326.72 H384 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0561","0.0441","","","0.1096","0.1148","","","","","","1.03","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124959","23.823","0.002","8.3369","0.0007","42.087","0.004","90","","99.935","0.001","90","","8233.5","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 Kr0.51 O8 Si4 -","- C40 H48 Kr0.51 O8 Si4 -","- C320 H384 Kr4.08 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0832","0.0489","","","0.1069","0.1154","","","","","","1.04","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124960","23.8489","0.0014","8.3186","0.0005","42.289","0.003","90","","99.377","0.001","90","","8277.6","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.83 H51.32 O8 S0.83 Si4 -","- C40.83 H51.32 O8 S0.83 Si4 -","- C326.64 H410.56 O64 S6.64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0545","0.0503","","","0.1207","0.1225","","","","","","1.127","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124961","23.909","0.003","8.4216","0.001","42.409","0.005","90","","100.522","0.002","90","","8395.6","1.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 O8 Si4 -","- C40 H48 O8 Si4 -","- C320 H384 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0887","0.0508","","","0.1389","0.1552","","","","","","1.047","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124962","23.8634","0.0018","8.3296","0.0006","42.051","0.003","90","","100.508","0.001","90","","8218.4","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H48.58 O8.29 Si4 -","- C40 H48 O8.29 Si4 -","- C320 H384 O66.32 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0572","0.0447","","","0.1148","0.1225","","","","","","0.854","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124963","23.896","0.003","8.3362","0.001","42.099","0.005","90","","100.506","0.001","90","","8245.6","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H48.42 O8.21 Si4 -","- C40 H48 O8.21 Si4 -","- C320 H384 O65.68 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0679","0.0474","","","0.1145","0.1214","","","","","","0.956","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124964","23.819","0.002","8.3375","0.0009","42.216","0.004","90","","99.032","0.001","90","","8279.8","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H51 Cl O8 Si4 -","- C41 H51 Cl O8 Si4 -","- C328 H408 Cl8 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0704","0.0521","","","0.1356","0.1445","","","","","","1.059","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124965","23.806","0.002","8.3338","0.0008","42.087","0.004","90","","99.934","0.002","90","","8224.6","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 Kr0.52 O8 Si4 -","- C40 H48 Kr0.52 O8 Si4 -","- C320 H384 Kr4.16 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.048","0.0377","","","0.0838","0.0869","","","","","","1.051","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124966","23.891","0.0019","8.3191","0.0007","41.994","0.003","90","","100.294","0.001","90","","8212","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40.36 H48 O8.72 Si4 -","- C40.36 H48 O8.72 Si4 -","- C322.88 H384 O69.76 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0814","0.0511","","","0.1135","0.1229","","","","","","1.098","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124967","23.765","0.002","8.4219","0.0007","42.791","0.004","90","","101.108","0.001","90","","8404","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40.74 H49.48 Br0.74 Cl0.74 O8 Si4 -","- C40.74 H49.48 Br0.74 Cl0.74 O8 Si4 -","- C325.92 H395.84 Br5.92 Cl5.92 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0805","0.0555","","","0.1207","0.1278","","","","","","1.043","","","","has coordinates,has disorder","182493","2020-10-21","18:00:00",""
"4124968","23.781","0.003","8.3577","0.001","42.317","0.005","90","","98.998","0.002","90","","8307.2","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H51 Br O8 Si4 -","- C41 H51 Br O8 Si4 -","- C328 H408 Br8 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0616","0.0536","","","0.139","0.1427","","","","","","1.047","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124969","23.87","0.003","8.3289","0.001","42.091","0.005","90","","100.485","0.002","90","","8228.4","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 N0.28 O8 Si4 -","- C40 H48 N0.28 O8 Si4 -","- C320 H384 N2.24 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0645","0.0451","","","0.1042","0.1112","","","","","","1.042","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124970","23.925","0.01","8.351","0.004","42.16","0.017","90","","100.429","0.005","90","","8284","6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 N0.46 O8 Si4 -","- C40 H48 N0.46 O8 Si4 -","- C320 H384 N3.68 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0617","0.0438","","","0.1054","0.1122","","","","","","1.04","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124971","23.785","0.002","8.3252","0.0007","42.237","0.004","90","","99.359","0.001","90","","8252.2","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 O8 Si4 Xe0.77 -","- C40 H48 O8 Si4 Xe0.77 -","- C320 H384 O64 Si32 Xe6.16 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.073","0.0559","","","0.1061","0.1103","","","","","","1.16","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124972","23.8264","0.0018","8.3413","0.0006","42.248","0.003","90","","99.931","0.001","90","","8270.7","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.16 H51.48 O8 Si4 -","- C41.16 H51.48 O8 Si4 -","- C329.28 H411.84 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0644","0.0526","","","0.1128","0.117","","","","","","1.09","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124973","23.7418","0.0015","8.3761","0.0005","42.667","0.003","90","","99.403","0.001","90","","8370.9","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H51 I O8 Si4 -","- C41 H51 I O8 Si4 -","- C328 H408 I8 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.069","0.0514","","","0.1279","0.1362","","","","","","1.059","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124974","23.7918","0.0015","8.3456","0.0005","42.268","0.003","90","","99.785","0.001","90","","8270.5","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.44 H52.32 O8 Si4 -","- C41.44 H52.32 O8 Si4 -","- C331.52 H418.56 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0644","0.05","","","0.1104","0.1157","","","","","","1.062","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124975","23.598","0.002","8.4762","0.0007","42.844","0.004","90","","99.75","0.001","90","","8445.9","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H53 Cl O8 Si4 -","- C42 H53 Cl O8 Si4 -","- C336 H424 Cl8 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0529","0.0421","","","0.1062","0.1117","","","","","","1","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124976","23.844","0.002","8.3749","0.0008","42.788","0.004","90","","101.337","0.001","90","","8377.7","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.85 H49.7 Cl1.7 O8 Si4 -","- C40.85 H49.7 Cl1.7 O8 Si4 -","- C326.8 H397.6 Cl13.6 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0706","0.0461","","","0.1056","0.1143","","","","","","1.052","","","","has coordinates,has disorder","182493","2020-10-21","18:00:00",""
"4124977","23.8542","0.0015","8.3297","0.0005","42.074","0.003","90","","99.53","0.001","90","","8244.7","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.22 H50.44 O8 Si4 -","- C41.22 H50.44 O8 Si4 -","- C329.76 H403.52 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0592","0.0447","","","0.1062","0.1124","","","","","","1.018","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124978","23.835","0.004","8.3212","0.0013","42.075","0.006","90","","100.274","0.002","90","","8211","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.23 H48.69 F0.23 O8 Si4 -","- C40.23 H48.69 F0.23 O8 Si4 -","- C321.84 H389.52 F1.84 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.084","0.0528","","","0.1222","0.1326","","","","","","1.125","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124979","23.828","0.005","8.3023","0.0017","42.093","0.009","90","","99.374","0.003","90","","8216","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H49.7 O8 S0.85 Si4 -","- C40 H49.7 O8 S0.85 Si4 -","- C320 H397.6 O64 S6.8 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.072","0.0509","","","0.1088","0.1162","","","","","","1.058","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124980","23.901","0.002","8.3164","0.0008","41.986","0.004","90","","100.205","0.001","90","","8213.5","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40.46 H48 O8.92 Si4 -","- C40.46 H48 O8.92 Si4 -","- C323.68 H384 O71.36 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0725","0.0475","","","0.113","0.1222","","","","","","1.103","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124981","23.922","0.003","8.283","0.0011","42.467","0.005","90","","100.387","0.001","90","","8276.8","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H51 N O10 Si4 -","- C41 H51 N O10 Si4 -","- C328 H408 N8 O80 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0503","0.0411","","","0.1038","0.1082","","","","","","1.04","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124982","23.8337","0.0017","8.349","0.0006","42.261","0.003","90","","99.898","0.001","90","","8284.2","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.16 H51.48 O8 Si4 -","- C41.16 H51.48 O8 Si4 -","- C329.28 H411.84 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.062","0.0543","","","0.1173","0.12","","","","","","1.155","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124983","23.906","0.002","8.3015","0.0008","42.15","0.004","90","","100.301","0.001","90","","8230.1","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40.67 H50.68 O8.67 Si4 -","- C40.67 H50.68 O8.67 Si4 -","- C325.36 H405.44 O69.36 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0872","0.0522","","","0.1153","0.1271","","","","","","1.078","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124984","23.851","0.003","8.3122","0.0009","42.101","0.005","90","","100.069","0.001","90","","8218.1","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.37 H49.39 F0.37 O8.14 Si4 -","- C40.37 H49.11 F0.37 O8.14 Si4 -","- C322.96 H392.88 F2.96 O65.12 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0765","0.0501","","","0.1218","0.1322","","","","","","1.121","","","","has coordinates,has disorder","182493","2020-10-21","18:00:00",""
"4124985","23.804","0.005","8.3353","0.0019","42.068","0.01","90","","100.038","0.004","90","","8219","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 Ar0.61 O8 Si4 -","- C40 H48 Ar0.61 O8 Si4 -","- C320 H384 Ar4.88 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0607","0.0479","","","0.1176","0.1241","","","","","","1.02","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124986","23.797","0.007","8.333","0.002","42.275","0.012","90","","99.38","0.004","90","","8271","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 O8 Si4 Xe0.79 -","- C40 H48 O8 Si4 Xe0.79 -","- C320 H384 O64 Si32 Xe6.32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0884","0.0564","","","0.1184","0.1263","","","","","","1.085","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124987","23.878","0.002","8.3377","0.0009","42.105","0.004","90","","100.631","0.001","90","","8238.7","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 O8 Si4 -","- C40 H48 O8 Si4 -","- C320 H384 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.066","0.0472","","","0.1308","0.1434","","","","","","1.065","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124988","23.86","0.0012","8.3389","0.0004","42.135","0.002","90","","100.525","0.001","90","","8242.4","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 I0.12 O8 Si4 -","- C40 H48 I0.12 O8 Si4 -","- C320 H384 I0.96 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0766","0.0556","","","0.1257","0.1334","","","","","","1.057","","","","has coordinates,has disorder","182493","2020-10-21","18:00:00",""
"4124989","23.811","0.002","8.3707","0.0008","42.646","0.004","90","","100.829","0.001","90","","8348.6","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.64 H52.92 O8.82 Si4 -","- C41.64 H52.92 O8.82 Si4 -","- C333.12 H423.36 O70.56 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0713","0.0522","","","0.1197","0.1273","","","","","","1.03","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124990","23.8513","0.0017","8.3338","0.0006","42.06","0.003","90","","100.528","0.001","90","","8219.6","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 Kr0.07 O8 Si4 -","- C40 H48 Kr0.07 O8 Si4 -","- C320 H384 Kr0.56 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0943","0.054","","","0.1126","0.1236","","","","","","1.025","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124991","23.842","0.002","8.3261","0.0007","42.069","0.004","90","","99.529","0.001","90","","8235.9","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.3 H50.6 O8 Si4 -","- C41.3 H50.6 O8 Si4 -","- C330.4 H404.8 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0506","0.0429","","","0.1022","0.1056","","","","","","1.029","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124992","23.782","0.003","8.3354","0.0009","42.228","0.005","90","","98.903","0.001","90","","8270.1","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H51 Cl O8 Si4 -","- C41 H51 Cl O8 Si4 -","- C328 H408 Cl8 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0803","0.0481","","","0.104","0.1133","","","","","","1.058","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124993","23.867","0.003","8.3297","0.0009","42.143","0.005","90","","100.399","0.002","90","","8240.6","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40.26 H48.78 O8.13 Si4 -","- C40.26 H48.78 O8.13 Si4 -","- C322.08 H390.24 O65.04 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0849","0.0519","","","0.1178","0.1287","","","","","","1.068","","","","has coordinates,has disorder","182493","2020-10-21","18:00:00",""
"4124994","23.839","0.002","8.3267","0.0008","42.192","0.004","90","","99.767","0.001","90","","8253.7","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40.79 H51.16 O8 Si4 -","- C40.79 H48 O8 Si4 -","- C326.32 H384 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0573","0.0442","","","0.1112","0.1174","","","","","","1.048","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124995","12.6179","0.0004","16.9418","0.0006","21.2119","0.0007","80.997","0.003","74.486","0.003","87.144","0.003","4315.3","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H85 B F24 N4 Si2 -","- C86 H85 B F24 N4 Si2 -","- C172 H170 B2 F48 N8 Si4 -","2","1","","Arz, Marius I.; Straßmann, Martin; Geiß, Daniel; Schnakenburg, Gregor; Filippou, Alexander C.","Addition of Small Electrophiles to N-Heterocyclic-Carbene-Stabilized Disilicon(0): A Revisit of the Isolobal Concept in Low-Valent Silicon Chemistry.","Journal of the American Chemical Society","2016","138","13","4589","4600","10.1021/jacs.6b01018","","","0.71073","MoKα","","0.0778","0.0456","","","0.1047","0.1142","","","","","","0.945","","","","has coordinates,has disorder","182496","2020-10-21","18:00:00",""
"4124996","21.7127","0.0005","29.2279","0.0008","26.0364","0.0005","90","","90","","90","","16523.1","0.7","123","2","123","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C84 H86 B F20 Li N4 Si2 -","- C84 H86 B F20 Li N4 Si2 -","- C672 H688 B8 F160 Li8 N32 Si16 -","8","1","","Arz, Marius I.; Straßmann, Martin; Geiß, Daniel; Schnakenburg, Gregor; Filippou, Alexander C.","Addition of Small Electrophiles to N-Heterocyclic-Carbene-Stabilized Disilicon(0): A Revisit of the Isolobal Concept in Low-Valent Silicon Chemistry.","Journal of the American Chemical Society","2016","138","13","4589","4600","10.1021/jacs.6b01018","","","0.71073","MoKα","","0.0745","0.049","","","0.1035","0.1116","","","","","","0.915","","","","has coordinates,has disorder","182496","2020-10-21","18:00:00",""
"4124997","17.9849","0.0006","22.4945","0.001","21.353","0.0007","90","","95.132","0.003","90","","8604","0.6","123","2","123","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C86 H84 B F24 N4 Na Si2 -","- C86 H84 B F24.006 N4 Na Si2 -","- C344 H336 B4 F96.024 N16 Na4 Si8 -","4","0.5","","Arz, Marius I.; Straßmann, Martin; Geiß, Daniel; Schnakenburg, Gregor; Filippou, Alexander C.","Addition of Small Electrophiles to N-Heterocyclic-Carbene-Stabilized Disilicon(0): A Revisit of the Isolobal Concept in Low-Valent Silicon Chemistry.","Journal of the American Chemical Society","2016","138","13","4589","4600","10.1021/jacs.6b01018","","","0.71073","MoKα","","0.1439","0.0452","","","0.0989","0.1331","","","","","","0.698","","","","has coordinates,has disorder","182496","2020-10-21","18:00:00",""
"4124998","12.5317","0.0004","16.8752","0.0005","21.5506","0.0007","81.388","0.003","74.544","0.002","87.162","0.002","4342.8","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H87 B F24 N4 Si2 -","- C87 H87 B F24 N4 Si2 -","- C174 H174 B2 F48 N8 Si4 -","2","1","","Arz, Marius I.; Straßmann, Martin; Geiß, Daniel; Schnakenburg, Gregor; Filippou, Alexander C.","Addition of Small Electrophiles to N-Heterocyclic-Carbene-Stabilized Disilicon(0): A Revisit of the Isolobal Concept in Low-Valent Silicon Chemistry.","Journal of the American Chemical Society","2016","138","13","4589","4600","10.1021/jacs.6b01018","","","0.71073","MoKα","","0.0797","0.0531","","","0.1397","0.1515","","","","","","1.05","","","","has coordinates,has disorder","182496","2020-10-21","18:00:00",""
"4124999","12.6984","0.0004","16.103","0.0005","21.2179","0.0007","86.027","0.003","88.262","0.002","89.457","0.003","4326.1","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H89 B F24 N4 Si2 -","- C88 H89 B F24.003 N4 Si2 -","- C176 H178 B2 F48.006 N8 Si4 -","2","1","","Arz, Marius I.; Straßmann, Martin; Geiß, Daniel; Schnakenburg, Gregor; Filippou, Alexander C.","Addition of Small Electrophiles to N-Heterocyclic-Carbene-Stabilized Disilicon(0): A Revisit of the Isolobal Concept in Low-Valent Silicon Chemistry.","Journal of the American Chemical Society","2016","138","13","4589","4600","10.1021/jacs.6b01018","","","0.71073","MoKα","","0.0878","0.0497","","","0.1177","0.1277","","","","","","0.922","","","","has coordinates,has disorder","182496","2020-10-21","18:00:00",""
"4125000","22.2131","0.0007","10.9141","0.0003","24.0009","0.0007","90","","108.11","0.002","90","","5530.4","0.3","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","pjs257","","","- C50.5 H79 Br2 Cl P4 Pt2 -","- C50.5 H79 Br2 Cl P4 Pt2 -","- C202 H316 Br8 Cl4 P16 Pt8 -","4","1","","Yan, Xuzhou; Wang, Ming; Cook, Timothy R.; Zhang, Mingming; Saha, Manik Lal; Zhou, Zhixuan; Li, Xiaopeng; Huang, Feihe; Stang, Peter J.","Light-Emitting Superstructures with Anion Effect: Coordination-Driven Self-Assembly of Pure Tetraphenylethylene Metallacycles and Metallacages.","Journal of the American Chemical Society","2016","138","13","4580","4588","10.1021/jacs.6b00846","","","0.71073","MoKα","","0.044","0.033","","","0.0599","0.0633","","","","","","1.051","","","","has coordinates,has disorder","182494","2020-10-21","18:00:00",""
"4125001","24.1826","0.0009","24.3191","0.0009","29.0112","0.001","83.595","0.002","83.303","0.002","85.177","0.002","16795.6","1.1","150","1","150","1","","","","","","","","6","P -1","-P 1","2","pjs256","","","- C50 H78 N2 O6 P4 Pt2 -","- C50 H78 N2 O6 P4 Pt2 -","- C600 H936 N24 O72 P48 Pt24 -","12","6","","Yan, Xuzhou; Wang, Ming; Cook, Timothy R.; Zhang, Mingming; Saha, Manik Lal; Zhou, Zhixuan; Li, Xiaopeng; Huang, Feihe; Stang, Peter J.","Light-Emitting Superstructures with Anion Effect: Coordination-Driven Self-Assembly of Pure Tetraphenylethylene Metallacycles and Metallacages.","Journal of the American Chemical Society","2016","138","13","4580","4588","10.1021/jacs.6b00846","","","0.71073","MoKα","","0.0708","0.0376","","","0.0632","0.0726","","","","","","1.032","","","","has coordinates,has disorder","182494","2020-10-21","18:00:00",""
"4125002","19.4712","0.0002","14.5386","0.0002","18.715","0.0002","90","","105.386","0.0005","90","","5108.04","0.1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H74 B2 N5 Sn -","- C52 H74 B2 N5 Sn -","- C208 H296 B8 N20 Sn4 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","0.71073","MoKα","","0.0577","0.0475","","0.1302","0.1173","0.1298","","","","","","0.9265","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125003","20.3402","0.0002","12.8395","0.0001","22.829","0.0003","90","","102.9","0.0011","90","","5811.51","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sn{B(NArCH)2}2NtBu","","- C57.5 H86.5 B2 N5 Sn -","- C57.5 H86.5 B2 N5 Sn -","- C230 H346 B8 N20 Sn4 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0412","0.0368","","0.0292","0.0274","0.0269","","","","","","1.0373","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125004","12.6324","0.0002","20.8368","0.0003","19.7169","0.0003","90","","95.4397","0.0014","90","","5166.49","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H74 B2 N4 Sn -","- C52 H74 B2 N4 Sn -","- C208 H296 B8 N16 Sn4 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0424","0.039","","0.0395","0.0389","0.0386","","","","","","1.1417","","","","has coordinates,has disorder","182495","2020-10-21","18:00:00",""
"4125005","12.527","0.0004","12.6173","0.0005","21.1768","0.0008","79.505","0.003","89.404","0.003","60.709","0.004","2858.2","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","Sn{B(NArCH)2}2(SiH2Ph)","","- C58 H80 B2 N4 Si Sn -","- C58 H80 B2 N4 Si Sn -","- C116 H160 B4 N8 Si2 Sn2 -","2","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0658","0.0614","","0.0767","0.0721","0.0712","","","","","","1.1063","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125006","14.136","0.0002","16.8914","0.0002","25.9133","0.0004","90","","99.1667","0.0012","90","","6108.48","0.15","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sn{B(NArCH)2}2(H)(BH2NMe3)","","- C55 H84 B3 N5 Sn -","- C55 H84 B3 N5 Sn -","- C220 H336 B12 N20 Sn4 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.043","0.0412","","0.0505","0.0492","0.0488","","","","","","1.0796","","","","has coordinates,has disorder","182495","2020-10-21","18:00:00",""
"4125007","21.22087","0.00016","12.54026","0.00011","19.63737","0.00017","90","","97.8858","0.0008","90","","5176.39","0.08","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Sn{B(NArCH)2}2(OH)(H)","","- C52 H74 B2 N4 O Sn -","- C52 H74 B2 N4 O Sn -","- C208 H296 B8 N16 O4 Sn4 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.54184","CuKα","","0.05","0.0491","","0.0464","0.0461","0.0459","","","","","","1.1057","","","","has coordinates,has disorder","182495","2020-10-21","18:00:00",""
"4125008","21.2882","0.0003","12.5521","0.0002","19.6851","0.0002","90","","98.1681","0.0013","90","","5206.73","0.12","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H75 B2 N5 Sn -","- C52 H75 B2 N5 Sn -","- C208 H300 B8 N20 Sn4 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.054","0.0515","","0.1147","0.1133","0.1147","","","","","","1.1366","","","","has coordinates,has disorder","182495","2020-10-21","18:00:00",""
"4125009","14.0818","0.0003","12.3113","0.0002","15.8745","0.0002","90","","99.2666","0.0015","90","","2716.17","0.08","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Sn{B(NArCH)2}(NH2)]2","","- C52 H75 B2 N6 Sn2 -","- C52 H75 B2 N6 Sn2 -","- C104 H150 B4 N12 Sn4 -","2","0.5","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0232","0.0223","","0.0236","0.0233","0.0231","","","","","","1.0475","","","","has coordinates,has disorder","182495","2020-10-21","18:00:00",""
"4125010","17.8585","0.0001","43.5512","0.0002","19.1937","0.0001","90","","117.11","0.0003","90","","13288","0.12","150","","150","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C55 H77 B2 K N5 Sn -","- C55 H77 B2 K N5 Sn -","- C440 H616 B16 K8 N40 Sn8 -","8","2","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","0.71073","MoKα","","0.0941","0.0576","","0.1812","0.1433","0.1812","","","","","","0.9674","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125011","24.6958","0.0002","14.9348","0.0001","33.1882","0.0004","90","","94.4855","0.0009","90","","12203.2","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C108 H144 N8 Sn10.81 -","- C104 H144 B4 N8 Sn10.8087 -","- C416 H576 B16 N32 Sn43.2348 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","0.7107","MoKα","","0.0625","0.0465","","0.0985","0.0871","0.098","","","","","","1","","","","has coordinates,has disorder","182495","2020-10-21","18:00:00",""
"4125012","11.3674","0.0001","18.7715","0.0001","24.657","0.0002","90","","90","","90","","5261.39","0.07","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Sn{BN2(Ar)2C2H2}Cl2","","- C52 H72 B2 Cl2 N4 Sn -","- C52 H72 B2 Cl2 N4 Sn -","- C208 H288 B8 Cl8 N16 Sn4 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","0.71073","MoKα","","0.038","0.0328","","0.0391","0.034","0.0329","","","","","","0.9499","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125013","15.5841","0.0002","12.2901","0.0001","18.1568","0.0002","90","","99.2133","0.001","90","","3432.71","0.07","150","","150","","","","","","","",".?","4","P 1 21/n 1","-P 2yn","14","","Si(NDipp)(SiMe3)Si(SiMe3)3(NH2)H","","- C24 H56 N2 Si6 -","- C24 H56 N2 Si6 -","- C96 H224 N8 Si24 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0313","0.0268","","0.0303","0.0283","0.0278","","","","","","1.0878","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125014","14.7357","0.0004","9.6701","0.0002","18.1354","0.0005","90","","113.934","0.003","90","","2362.01","0.12","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 B F20 K -","- C24 B F20 K -","- C96 B4 F80 K4 -","4","2","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0489","0.0467","","0.1192","0.1172","0.1192","","","","","","0.9923","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125015","11.3662","0.0001","19.9462","0.0002","20.7654","0.0003","90","","91.3439","0.001","90","","4706.48","0.09","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C47 H72 B N3 Si Sn -","- C47 H72 B N3 Si Sn -","- C188 H288 B4 N12 Si4 Sn4 -","4","2","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0489","0.0483","","0.0518","0.0515","0.0514","","","","","","1.0186","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125016","9.893","0.001","12.1163","0.0011","16.2448","0.0015","96.775","0.007","101.149","0.008","95.448","0.008","1883.2","0.3","193","","","","","","","","","","see text","3","P -1","-P 1","2","","","","- C90 H74 I4 -","- C90 H74 I4 -","- C90 H74 I4 -","1","0.5","","Dumslaff, Tim; Yang, Bo; Maghsoumi, Ali; Velpula, Gangamallaiah; Mali, Kunal S.; Castiglioni, Chiara; De Feyter, Steven; Tommasini, Matteo; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus","Adding Four Extra K-Regions to Hexa-peri-hexabenzocoronene.","Journal of the American Chemical Society","2016","138","14","4726","4729","10.1021/jacs.6b01976","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","211179","2020-10-21","18:00:00",""
"4125017","5.633","0.002","16.777","0.007","21.917","0.008","90","","90","","90","","2071.3","1.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Br O3 -","- C23 H25 Br O3 -","- C92 H100 Br4 O12 -","4","1","","Amador, Adrian G.; Sherbrook, Evan M.; Yoon, Tehshik P.","Enantioselective Photocatalytic [3 + 2] Cycloadditions of Aryl Cyclopropyl Ketones.","Journal of the American Chemical Society","2016","138","14","4722","4725","10.1021/jacs.6b01728","","x-ray","0.71073","MoKα","","0.0449","0.0365","","","0.0858","0.0885","","","","","","1.068","","","","has coordinates","182505","2020-10-21","18:00:00",""
"4125018","11.7388","0.0001","11.7388","0.0001","27.4082","0.0004","90","","90","","120","","3270.83","0.06","123","2","123","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24 H20 F N5 O4 -","- C24 H20 F N5 O4 -","- C144 H120 F6 N30 O24 -","6","1","","Piotrowski, David W.; Kamlet, Adam S.; Dechert-Schmitt, Anne-Marie R; Yan, Jiangli; Brandt, Thomas A.; Xiao, Jun; Wei, Liuqing; Barrila, Mark T.","Regio- and Enantioselective Synthesis of Azole Hemiaminal Esters by Lewis Base Catalyzed Dynamic Kinetic Resolution.","Journal of the American Chemical Society","2016","138","14","4818","4823","10.1021/jacs.6b00207","","","1.54178","CuKα","","0.039","0.0382","","","0.0952","0.0961","","","","","","1.051","","","","has coordinates,has disorder","182503","2020-10-21","18:00:00",""
"4125019","7.9189","0.0002","8.9993","0.0002","9.5359","0.0003","86.5842","0.0012","82.182","0.0011","76.2332","0.0011","653.65","0.03","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N4 O3 -","- C12 H14 N4 O3 -","- C24 H28 N8 O6 -","2","1","","Piotrowski, David W.; Kamlet, Adam S.; Dechert-Schmitt, Anne-Marie R; Yan, Jiangli; Brandt, Thomas A.; Xiao, Jun; Wei, Liuqing; Barrila, Mark T.","Regio- and Enantioselective Synthesis of Azole Hemiaminal Esters by Lewis Base Catalyzed Dynamic Kinetic Resolution.","Journal of the American Chemical Society","2016","138","14","4818","4823","10.1021/jacs.6b00207","","","1.54178","CuKα","","0.0463","0.0391","","","0.0972","0.1022","","","","","","0.965","","","","has coordinates","182503","2020-10-21","18:00:00",""
"4125020","4.5885","0.0004","10.0115","0.0009","16.2053","0.0013","90","","90.413","0.005","90","","744.42","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H13 I N6 O3 -","- C10 H13 I N6 O3 -","- C20 H26 I2 N12 O6 -","2","1","","Piotrowski, David W.; Kamlet, Adam S.; Dechert-Schmitt, Anne-Marie R; Yan, Jiangli; Brandt, Thomas A.; Xiao, Jun; Wei, Liuqing; Barrila, Mark T.","Regio- and Enantioselective Synthesis of Azole Hemiaminal Esters by Lewis Base Catalyzed Dynamic Kinetic Resolution.","Journal of the American Chemical Society","2016","138","14","4818","4823","10.1021/jacs.6b00207","","","1.54178","CuKα","","0.0511","0.0355","","","0.0787","0.0864","","","","","","1.039","","","","has coordinates","182503","2020-10-21","18:00:00",""
"4125021","8.2767","0.0003","8.2767","0.0003","5.1763","0.0004","90","","90","","120","","307.09","0.03","120","2","120","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- O14 P2 Sr3 Te Zn3 -","- O14 P2 Sr3 Te Zn3 -","- O14 P2 Sr3 Te Zn3 -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.0217","0.0208","","","0.0447","0.0453","","","","","","1.096","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125022","8.4744","0.0003","8.4744","0.0003","5.2818","0.0004","90","","90","","120","","328.5","0.03","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Ba3 O14 P2 Te Zn3 -","- Ba3 O14 P2 Te Zn3 -","- Ba3 O14 P2 Te Zn3 -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.0161","0.0161","","","0.0375","0.0375","","","","","","1.174","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125023","8.3831","0.0003","8.3831","0.0003","5.193","0.0004","90","","90","","120","","316.05","0.03","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- O14 P2 Pb3 Te Zn3 -","- O14 P2 Pb3 Te Zn3 -","- O14 P2 Pb3 Te Zn3 -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.0208","0.0206","","","0.0531","0.0533","","","","","","1.095","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125024","8.4072","0.0004","8.4072","0.0004","5.2158","0.0005","90","","90","","120","","319.27","0.04","296","2","296","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Mg3 O14 P2 Pb3 Te -","- Mg3 O14 P2 Pb3 Te -","- Mg3 O14 P2 Pb3 Te -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.0144","0.014","","","0.0328","0.033","","","","","","0.958","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125025","8.4151","0.0003","8.4151","0.0003","5.17","0.0004","90","","90","","120","","317.06","0.03","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- O14 P2 Pb3 W Zn3 -","- O14 P2 Pb3 W Zn3 -","- O14 P2 Pb3 W Zn3 -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.017","0.017","","","0.0402","0.0402","","","","","","1.197","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125026","8.608","0.002","8.608","0.002","5.186","0.003","90","","90","","120","","332.8","0.2","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- O14 Pb3 Te V2 Zn3 -","- O14 Pb3 Te V2 Zn3 -","- O14 Pb3 Te V2 Zn3 -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.0429","0.0425","","","0.0974","0.0977","","","","","","1.152","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125027","6.4872","0.0004","18.0297","0.0012","8.1708","0.0006","90","","90.0076","0.0017","90","","955.68","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H22 S -","- C25 H22 S -","- C50 H44 S2 -","2","1","","Wang, Yi-Ming; Buchwald, Stephen L.","Enantioselective CuH-Catalyzed Hydroallylation of Vinylarenes.","Journal of the American Chemical Society","2016","138","15","5024","5027","10.1021/jacs.6b02527","","","0.71073","MoKα","","0.0311","0.0303","","","0.0802","0.081","","","","","","1.049","","","","has coordinates,has disorder","182498","2020-10-21","18:00:00",""
"4125028","8.3686","0.0004","25.6303","0.0012","9.8925","0.0004","90","","90.036","0.003","90","","2121.84","0.17","90","2","90","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","TerarylB2O4-1","","- C30 H16 B2 O4 -","- C30 H16 B2 O4 -","- C120 H64 B8 O16 -","4","1","","Katayama, Takazumi; Nakatsuka, Soichiro; Hirai, Hiroki; Yasuda, Nobuhiro; Kumar, Jatish; Kawai, Tsuyoshi; Hatakeyama, Takuji","Two-Step Synthesis of Boron-Fused Double Helicenes.","Journal of the American Chemical Society","2016","138","16","5210","5213","10.1021/jacs.6b01674","","","0.78202","synchrotron","","0.0537","0.0342","","","0.0789","0.095","","","","","","1.062","","","","has coordinates","182500","2020-10-21","18:00:00",""
"4125029","6.0162","0.0003","17.8089","0.0007","16.1195","0.0005","90","","94.191","0.003","90","","1722.46","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 O Si -","- C17 H24 O Si -","- C68 H96 O4 Si4 -","4","2","","Nguyen, Khoa D.; Herkommer, Daniel; Krische, Michael J.","Ruthenium-BINAP Catalyzed Alcohol C-H tert-Prenylation via 1,3-Enyne Transfer Hydrogenation: Beyond Stoichiometric Carbanions in Enantioselective Carbonyl Propargylation.","Journal of the American Chemical Society","2016","138","16","5238","5241","10.1021/jacs.6b02279","","","1.54184","CuKα","","0.0529","0.043","","","0.103","0.1107","","","","","","1.03","","","","has coordinates","182499","2020-10-21","18:00:00",""
"4125030","6.0238","0.0003","8.4261","0.0005","32.0021","0.0009","90","","90","","90","","1624.34","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 O2 Si -","- C16 H24 O2 Si -","- C64 H96 O8 Si4 -","4","1","","Nguyen, Khoa D.; Herkommer, Daniel; Krische, Michael J.","Ruthenium-BINAP Catalyzed Alcohol C-H tert-Prenylation via 1,3-Enyne Transfer Hydrogenation: Beyond Stoichiometric Carbanions in Enantioselective Carbonyl Propargylation.","Journal of the American Chemical Society","2016","138","16","5238","5241","10.1021/jacs.6b02279","","","1.54184","CuKα","","0.0237","0.0234","","","0.0615","0.0618","","","","","","1.048","","","","has coordinates","182499","2020-10-21","18:00:00",""
"4125031","37.726","0.004","37.726","0.004","37.726","0.004","90","","90","","90","","53694","10","296","2","296","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- C240 H0 I0 O28 Zn10 -","- C240 O28 Zn10 -","- C960 O112 Zn40 -","4","0.0416667","","Zhang, Qiongqiong; Zhang, Cankun; Cao, Lingyun; Wang, Zi; An, Bing; Lin, Zekai; Huang, Ruiyun; Zhang, Zhiming; Wang, Cheng; Lin, Wenbin","Förster Energy Transport in Metal-Organic Frameworks Is Beyond Step-by-Step Hopping.","Journal of the American Chemical Society","2016","138","16","5308","5315","10.1021/jacs.6b01345","","","0.41328","","","0.1399","0.1266","","","0.386","0.3964","","","","","","1.681","","","","has coordinates","182501","2020-10-21","18:00:00",""
"4125032","35.755","0.004","35.755","0.004","35.755","0.004","90","","90","","90","","45710","9","293","2","293","2","","","","","","","","3","I 21 3","I 2b 2c 3","199","","","","- C60 O13 Zn4 -","- C60 O13 Zn4 -","- C480 O104 Zn32 -","8","0.333333","","Zhang, Qiongqiong; Zhang, Cankun; Cao, Lingyun; Wang, Zi; An, Bing; Lin, Zekai; Huang, Ruiyun; Zhang, Zhiming; Wang, Cheng; Lin, Wenbin","Förster Energy Transport in Metal-Organic Frameworks Is Beyond Step-by-Step Hopping.","Journal of the American Chemical Society","2016","138","16","5308","5315","10.1021/jacs.6b01345","","","0.41328","","","0.0625","0.0605","","","0.1506","0.1534","","","","","","1.353","","","","has coordinates","182501","2020-10-21","18:00:00",""
"4125033","16.6101","0.0003","11.2973","0.0002","9.2725","0.0001","90","","90","","90","","1739.98","0.05","280","","280","","","","","","","","","4","P n m a","-P 2ac 2n","62","","tetra(n-butyl)ammonium silver(I) bis(dicyanoargentate)","","- C12 H20 Ag3 N5 -","- C12 H20 Ag3 N5 -","- C48 H80 Ag12 N20 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","1.54184","CuKα","","0.0268","0.0258","","0.067","0.0661","0.067","","","","","","0.951","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4125034","16.2798","0.0002","13.9248","0.0002","18.0439","0.0002","90","","106.082","0.0005","90","","3930.35","0.09","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetra(n-butylammonium) cadmium dicyanoargentate","","- C26 H36 Ag5 Cd2 N11 -","- C26 H36 Ag5 Cd2 N11 -","- C104 H144 Ag20 Cd8 N44 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","0.71073","MoKα","","0.0251","0.022","","0.0504","0.0493","0.0504","","","","","","1.0249","","","","has coordinates","183564","2020-10-21","18:00:00",""
"4125035","27.9505","0.0006","15.0898","0.0004","13.4803","0.0003","90","","96.629","0.002","90","","5647.5","0.2","30","","30","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis(triphenylphosphoranylidene)ammonium copper dicyanoaurate ethanolate","","- C50 H42 Au5 Cu2 N11 O2 P2 -","- C50 H42 Au5 Cu2 N11 O2 P2 -","- C200 H168 Au20 Cu8 N44 O8 P8 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","0.6889","Synchrotron","","0.046","0.0372","","0.0898","0.0839","0.0898","","","","","","0.9915","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4125036","28.37","0.0003","15.6843","0.0002","13.9176","0.0001","90","","99.6092","0.001","90","","6105.94","0.11","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis(triphenylphosphoranylidene)ammonium manganese dicyanoargentate ethanolate","","- C50 H42 Ag5 Mn2 N11 O2 P2 -","- C50 H42 Ag5 Mn2 N11 O2 P2 -","- C200 H168 Ag20 Mn8 N44 O8 P8 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","1.54184","CuKα","","0.0351","0.0282","","0.0718","0.0673","0.0718","","","","","","1.0497","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4125037","28.5577","0.0008","15.835","0.0004","13.9531","0.0004","90","","99.31","0.003","90","","6226.6","0.3","282","","282","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis(triphenylphosphoranylidene)ammonium cadmium dicyanoargentate ethanolate","","- C50 H42 Ag5 Cd2 N11 O2 P2 -","- C50 H42 Ag5 Cd2 N11 O2 P2 -","- C200 H168 Ag20 Cd8 N44 O8 P8 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","1.5418","CuKα","","0.0452","0.04","","0.1212","0.1148","0.1212","","","","","","0.958","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4125038","21.7394","0.0003","21.7394","0.0003","21.7394","0.0003","90","","90","","90","","10274.1","0.2","150","","150","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","bis(triphenylphosphoranylidene)ammonium cadmium dicyanoaurate ethanolate","","- C48 H48.87 Ag3 Cd N7 O3.44 P2 -","- C48 H48.873 Ag3 Cd N7 O3.437 P2 -","- C384 H390.984 Ag24 Cd8 N56 O27.496 P16 -","8","0.333333","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","0.71073","MoKα","","0.049","0.0377","","0.0875","0.082","0.0875","","","","","","1.067","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4125039","16.7035","0.0003","12.5777","0.0003","20.6707","0.0004","90","","92.5382","0.001","90","","4338.48","0.15","150","","150","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","bis(triphenylphosphoranylidene)ammonium manganese dicyanoaurate","","- C42 H30 Au3 Mn N7 P2 -","- C42 H30 Au3 Mn N7 P2 -","- C168 H120 Au12 Mn4 N28 P8 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","0.71073","MoKα","","0.0435","0.0312","","0.0717","0.0668","0.0717","","","","","","0.9881","","","","has coordinates","183564","2020-10-21","18:00:00",""
"4125040","16.8455","0.0003","12.7383","0.0003","20.8965","0.0003","90","","92.3725","0.0016","90","","4480.19","0.15","292","","292","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","bis(triphenylphosphoranylidene)ammonium cadmium dicyanoaurate","","- C42 H30 Au3 Cd N7 P2 -","- C42 H30 Au3 Cd N7 P2 -","- C168 H120 Au12 Cd4 N28 P8 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","1.54184","CuKα","","0.027","0.0226","","0.0549","0.0525","0.0549","","","","","","0.9997","","","","has coordinates","183564","2020-10-21","18:00:00",""
"4125041","9.7335","0.0003","11.0381","0.0005","17.0129","0.0005","73.058","0.003","81.926","0.002","79.666","0.003","1712.6","0.11","280","0.2","280","0.2","","","","","","","","5","P -1","-P 1","2","","bis(triphenylphosphoranylidene)ammonium dicyanoaurate","","- C38 H30 Au N3 P2 -","- C38 H30 Au N3 P2 -","- C76 H60 Au2 N6 P4 -","2","1","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","1.54184","CuKα","","0.022","0.0207","","0.0534","0.0524","0.0533","","","","","","0.9995","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4125042","9.7325","0.001","10.9975","0.0014","17.099","0.002","73.5","0.011","82.138","0.009","80.19","0.01","1721.6","0.4","280","0.4","280","0.4","","","","","","","","5","P -1","-P 1","2","","bis(triphenylphosphoranylidene)ammonium dicyanoargentate","","- C38 H30 Ag N3 P2 -","- C38 H30.0005 Ag N3 P2 -","- C76 H60.001 Ag2 N6 P4 -","2","1","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","1.54184","CuKα","","0.0522","0.0333","","0.0852","0.0803","0.0852","","","","","","0.7792","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4125043","9.2263","0.0012","12.2376","0.0016","15.729","0.002","67.311","0.002","76.135","0.002","84.352","0.002","1590.7","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H102 Cl2 P2 Pd -","- C64 H102 Cl2 P2 Pd -","- C64 H102 Cl2 P2 Pd -","1","0.5","","Reid, William B.; Spillane, Jesse J.; Krause, Sarah B.; Watson, Donald A.","Direct Synthesis of Alkenyl Boronic Esters from Unfunctionalized Alkenes: A Boryl-Heck Reaction.","Journal of the American Chemical Society","2016","138","17","5539","5542","10.1021/jacs.6b02914","","","0.71073","MoKα","","0.0418","0.0349","","","0.0826","0.0865","","","","","","1.038","","","","has coordinates","183577","2020-10-21","18:00:00",""
"4125044","7.7614","0.0004","7.9275","0.0004","12.9954","0.0006","88.676","0.002","77.819","0.002","80.925","0.002","771.76","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C32 H36 N8 O4 -","2","1","","Zha, R. Helen; de Waal, Bas F. M.; Lutz, Martin; Teunissen, Abraham J. P.; Meijer, E. W.","End Groups of Functionalized Siloxane Oligomers Direct Block-Copolymeric or Liquid-Crystalline Self-Assembly Behavior.","Journal of the American Chemical Society","2016","138","17","5693","5698","10.1021/jacs.6b02172","","","0.71073","MoKα","","0.0382","0.0347","","","0.0889","0.0914","","","","","","1.051","","","","has coordinates","183578","2020-10-21","18:00:00",""
"4125045","18.6699","0.0009","18.7951","0.0009","33.5586","0.0016","90","","94.656","0.002","90","","11736.9","1","100","2","100.02","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C235 H215 N33 O57 -","- C235 H215 N33 O57 -","- C470 H430 N66 O114 -","2","1","","Nalluri, Siva Krishna Mohan; Liu, Zhichang; Wu, Yilei; Hermann, Keith R.; Samanta, Avik; Kim, Dong Jun; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Stoddart, J. Fraser","Chiral Redox-Active Isosceles Triangles.","Journal of the American Chemical Society","2016","138","18","5968","5977","10.1021/jacs.6b02086","","","1.54178","CuKα","","0.0825","0.0703","","","0.1912","0.2023","","","","","","1.055","","","","has coordinates,has disorder","183566","2020-10-21","18:00:00",""
"4125046","9.2311","0.0004","18.4418","0.0007","37.1578","0.0014","90","","90","","90","","6325.7","0.4","100","2","99.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H56 Br8 N6 O12 -","- C64 H56 Br8 N6 O12 -","- C256 H224 Br32 N24 O48 -","4","1","","Nalluri, Siva Krishna Mohan; Liu, Zhichang; Wu, Yilei; Hermann, Keith R.; Samanta, Avik; Kim, Dong Jun; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Stoddart, J. Fraser","Chiral Redox-Active Isosceles Triangles.","Journal of the American Chemical Society","2016","138","18","5968","5977","10.1021/jacs.6b02086","","","1.54178","CuKα","","0.1038","0.1034","","","0.2685","0.2688","","","","","","1.108","","","","has coordinates,has disorder","183566","2020-10-21","18:00:00",""
"4125047","10.9429","0.0018","6.4395","0.0012","13.07","0.003","90","","102.48","0.006","90","","899.2","0.3","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H30 O2 Si -","- C18 H30 O2 Si -","- C36 H60 O4 Si2 -","2","1","","Johnson, Trevor C.; Chin, Matthew R.; Han, Tianxu; Shen, John Paul; Rana, Tariq; Siegel, Dionicio","Synthesis of Eupalinilide E, a Promoter of Human Hematopoietic Stem and Progenitor Cell Expansion.","Journal of the American Chemical Society","2016","138","18","6068","6073","10.1021/jacs.6b03055","","","0.71073","MoKα","","0.0926","0.0606","","","0.1078","0.1184","","","","","","1.062","","","","has coordinates","183565","2020-10-21","18:00:00",""
"4125048","10.8442","0.001","10.9095","0.0012","19.879","0.002","76.875","0.006","76.263","0.006","78.772","0.006","2200.1","0.4","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C41 H74 Ce N3 O2 Si2 -","- C41 H74 Ce N3 O2 Si2 -","- C82 H148 Ce2 N6 O4 Si4 -","2","1","","Yin, Haolin; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","Cerium Photosensitizers: Structure-Function Relationships and Applications in Photocatalytic Aryl Coupling Reactions.","Journal of the American Chemical Society","2016","138","18","5984","5993","10.1021/jacs.6b02248","","","0.71073","MoKα","","0.0553","0.0484","","","0.1132","0.122","","","","","","1.102","","","","has coordinates","183567","2020-10-21","18:00:00",""
"4125049","12.4517","0.0008","13.3196","0.0009","15.2765","0.0017","97.319","0.004","102.877","0.004","114.368","0.003","2180.2","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C57 H140 Ce2 I2 N12 Si8 -","- C57 H140 Ce2 I2 N12 Si8 -","- C57 H140 Ce2 I2 N12 Si8 -","1","0.5","","Yin, Haolin; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","Cerium Photosensitizers: Structure-Function Relationships and Applications in Photocatalytic Aryl Coupling Reactions.","Journal of the American Chemical Society","2016","138","18","5984","5993","10.1021/jacs.6b02248","","","0.71073","MoKα","","0.028","0.0239","","","0.0561","0.06","","","","","","1.135","","","","has coordinates,has disorder","183567","2020-10-21","18:00:00",""
"4125050","13.6334","0.0004","14.3685","0.0004","16.3214","0.0005","111.454","0.001","93.753","0.001","110.532","0.001","2716.95","0.14","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H82 Ce N7 Si6 -","- C32 H82 Ce N7 Si6 -","- C64 H164 Ce2 N14 Si12 -","2","1","","Yin, Haolin; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","Cerium Photosensitizers: Structure-Function Relationships and Applications in Photocatalytic Aryl Coupling Reactions.","Journal of the American Chemical Society","2016","138","18","5984","5993","10.1021/jacs.6b02248","","","0.71073","MoKα","","0.0191","0.0174","","","0.0428","0.0434","","","","","","1.069","","","","has coordinates","183567","2020-10-21","18:00:00",""
"4125051","14.627","0.0003","21.5464","0.0005","16.9923","0.0004","90","","106.141","0.001","90","","5144.2","0.2","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H85 Ce N6 O Si4 -","- C40 H85 Ce N6 O Si4 -","- C160 H340 Ce4 N24 O4 Si16 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","Cerium Photosensitizers: Structure-Function Relationships and Applications in Photocatalytic Aryl Coupling Reactions.","Journal of the American Chemical Society","2016","138","18","5984","5993","10.1021/jacs.6b02248","","","0.71073","MoKα","","0.0206","0.0182","","","0.0436","0.0452","","","","","","1.06","","","","has coordinates","183567","2020-10-21","18:00:00",""
"4125052","14.4193","0.0004","22.9467","0.0007","17.0665","0.0005","90","","97.255","0.001","90","","5601.7","0.3","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H96 Ce N9 Si6 -","- C39 H96 Ce N9 Si6 -","- C156 H384 Ce4 N36 Si24 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","Cerium Photosensitizers: Structure-Function Relationships and Applications in Photocatalytic Aryl Coupling Reactions.","Journal of the American Chemical Society","2016","138","18","5984","5993","10.1021/jacs.6b02248","","","0.71073","MoKα","","0.0709","0.056","","","0.1244","0.133","","","","","","1.036","","","","has coordinates","183567","2020-10-21","18:00:00",""
"4125053","23.2747","0.0016","18.2692","0.0012","24.82","0.0017","90","","115.313","0.003","90","","9540.4","1.1","100","1","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C73 H112 B Ce Cl4 F24 N9 Si6 -","- C73 H112 B Ce Cl4 F24 N9 Si6 -","- C292 H448 B4 Ce4 Cl16 F96 N36 Si24 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","Cerium Photosensitizers: Structure-Function Relationships and Applications in Photocatalytic Aryl Coupling Reactions.","Journal of the American Chemical Society","2016","138","18","5984","5993","10.1021/jacs.6b02248","","","0.71073","MoKα","","0.0964","0.058","","","0.1444","0.1652","","","","","","1.021","","","","has coordinates","183567","2020-10-21","18:00:00",""
"4125054","15.9152","0.0012","15.6395","0.0011","18.7462","0.0013","90","","91.845","0.004","90","","4663.6","0.6","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H76 Ce Cl3 N4 Si6 -","- C27 H76 Ce Cl3 N4 Si6 -","- C108 H304 Ce4 Cl12 N16 Si24 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","Cerium Photosensitizers: Structure-Function Relationships and Applications in Photocatalytic Aryl Coupling Reactions.","Journal of the American Chemical Society","2016","138","18","5984","5993","10.1021/jacs.6b02248","","","0.71073","MoKα","","0.0399","0.0364","","","0.1218","0.1237","","","","","","1.192","","","","has coordinates","183567","2020-10-21","18:00:00",""
"4125055","9.5507","","9.5507","","7.0155","","90","","90","","120","","554.191","","300","","300","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.553 O25.776 Si6 -","- Nd9.552 O25.776 Si6 -","- Nd9.552 O25.776 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.0655","0.0376","","","0.0366","0.0386","","","","1.9","1.9","1.74","","","","has coordinates","182469","2020-10-21","18:00:00",""
"4125056","9.5507","","9.5507","","7.0155","","90","","90","","120","","554.191","","573","","573","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.606 O25.924 Si6 -","- Nd9.608 O25.924 Si6 -","- Nd9.608 O25.924 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.1243","0.0625","","","0.0515","0.0556","","","","2.24","2.24","1.99","","","","has coordinates","182470","2020-10-21","18:00:00",""
"4125057","9.5611","","9.5611","","7.0607","","90","","90","","120","","558.977","","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al1.5 Nd9.959 O26 Si4.5 -","- Al1.5 Nd9.96 O26 Si4.5 -","- Al1.5 Nd9.96 O26 Si4.5 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.0639","0.0361","","","0.0668","0.0702","","","","1.99","1.99","1.83","","","","has coordinates","182471","2020-10-21","18:00:00",""
"4125058","9.5507","","9.5507","","7.0155","","90","","90","","120","","554.191","","4","","4","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.605 O25.789 Si6 -","- Nd9.604 O25.79 Si6 -","- Nd9.604 O25.79 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.0572","0.0391","","","0.0772","0.08","","","","2.08","2.08","1.95","","","","has coordinates","182472","2020-10-21","18:00:00",""
"4125059","9.5507","","9.5507","","7.0155","","90","","90","","120","","554.191","","100","","100","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.58 O25.84 Si6 -","- Nd9.58 O25.84 Si6 -","- Nd9.58 O25.84 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.0667","0.0405","","","0.0434","0.0453","","","","2.19","2.19","2.02","","","","has coordinates","182473","2020-10-21","18:00:00",""
"4125060","9.553","","9.553","","7.0496","","90","","90","","120","","557.153","","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al Nd9.906 O26 Si5 -","- Al0.9996 Nd9.908 O26 Si5.0004 -","- Al0.9996 Nd9.908 O26 Si5.0004 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.0605","0.0437","","","0.0842","0.0863","","","","2.32","2.32","2.17","","","","has coordinates","182474","2020-10-21","18:00:00",""
"4125061","9.5515","","9.5515","","7.042","","90","","90","","120","","556.378","","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al0.5 Nd9.652 O26 Si5.5 -","- Al0.4998 Nd9.652 O26 Si5.5002 -","- Al0.4998 Nd9.652 O26 Si5.5002 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.0917","0.0435","","","0.0448","0.0493","","","","1.93","1.93","1.76","","","","has coordinates","182475","2020-10-21","18:00:00",""
"4125062","9.5507","","9.5507","","7.0155","","90","","90","","120","","554.191","","773","","773","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.569 O25.905 Si6 -","- Nd9.568 O25.904 Si6 -","- Nd9.568 O25.904 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.1287","0.0579","","","0.0498","0.0544","","","","2.23","2.23","1.94","","","","has coordinates","182476","2020-10-21","18:00:00",""
"4125063","6.0559","0.0008","12.211","0.0013","16.663","0.002","104.66","0.003","95.819","0.004","103.157","0.003","1144.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 B F10 N -","- C24 H24 B F10 N -","- C48 H48 B2 F20 N2 -","2","1","","Wang, Tongdao; Kehr, Gerald; Liu, Lei; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","Selective Oxidation of an Active Intramolecular Amine/Borane Frustrated Lewis Pair with Dioxygen.","Journal of the American Chemical Society","2016","138","13","4302","4305","10.1021/jacs.6b00325","","","0.71073","MoKα","","0.1191","0.0572","","","0.095","0.113","","","","","","1.021","","","","has coordinates","182477","2020-10-21","18:00:00",""
"4125064","10.9865","0.0002","11.3039","0.0002","12.1268","0.0003","111.608","0.001","90.925","0.001","116.464","0.001","1223.73","0.05","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 B F10 N O -","- C24 H26 B F10 N O -","- C48 H52 B2 F20 N2 O2 -","2","1","","Wang, Tongdao; Kehr, Gerald; Liu, Lei; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","Selective Oxidation of an Active Intramolecular Amine/Borane Frustrated Lewis Pair with Dioxygen.","Journal of the American Chemical Society","2016","138","13","4302","4305","10.1021/jacs.6b00325","","","0.71073","MoKα","","0.063","0.05","","","0.1099","0.1211","","","","","","1.017","","","","has coordinates","182477","2020-10-21","18:00:00",""
"4125065","9.3348","0.0004","18.8671","0.0007","15.8074","0.0006","90","","91.077","0.001","90","","2783.52","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 B F10 N -","- C29 H30 B F10 N -","- C116 H120 B4 F40 N4 -","4","1","","Wang, Tongdao; Kehr, Gerald; Liu, Lei; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","Selective Oxidation of an Active Intramolecular Amine/Borane Frustrated Lewis Pair with Dioxygen.","Journal of the American Chemical Society","2016","138","13","4302","4305","10.1021/jacs.6b00325","","","0.71073","MoKα","","0.0438","0.0353","","","0.0863","0.0917","","","","","","1.051","","","","has coordinates","182477","2020-10-21","18:00:00",""
"4125066","12.3941","0.0004","19.3768","0.0006","17.7912","0.0007","90","","99.37","0.001","90","","4215.7","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H25 B2 F20 N -","- C36 H25 B2 F20 N -","- C144 H100 B8 F80 N4 -","4","1","","Wang, Tongdao; Kehr, Gerald; Liu, Lei; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","Selective Oxidation of an Active Intramolecular Amine/Borane Frustrated Lewis Pair with Dioxygen.","Journal of the American Chemical Society","2016","138","13","4302","4305","10.1021/jacs.6b00325","","","0.71073","MoKα","","0.1237","0.0891","","","0.2212","0.2379","","","","","","1.103","","","","has coordinates,has disorder","182477","2020-10-21","18:00:00",""
"4125067","36.0335","0.0007","8.0228","0.0002","19.5293","0.0005","90","","121.688","0.001","90","","4804.1","0.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 B F10 N -","- C24 H26 B F10 N -","- C192 H208 B8 F80 N8 -","8","1","","Wang, Tongdao; Kehr, Gerald; Liu, Lei; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","Selective Oxidation of an Active Intramolecular Amine/Borane Frustrated Lewis Pair with Dioxygen.","Journal of the American Chemical Society","2016","138","13","4302","4305","10.1021/jacs.6b00325","","","0.71073","MoKα","","0.073","0.0535","","","0.099","0.1125","","","","","","1.098","","","","has coordinates","182477","2020-10-21","18:00:00",""
"4125068","12.633","0.0004","22.0052","0.0007","17.6449","0.0005","90","","104.135","0.001","90","","4756.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 B2 F20 N2 O2 -","- C48 H48 B2 F20 N2 O2 -","- C192 H192 B8 F80 N8 O8 -","4","1","","Wang, Tongdao; Kehr, Gerald; Liu, Lei; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","Selective Oxidation of an Active Intramolecular Amine/Borane Frustrated Lewis Pair with Dioxygen.","Journal of the American Chemical Society","2016","138","13","4302","4305","10.1021/jacs.6b00325","","","0.71073","MoKα","","0.0556","0.0378","","","0.0808","0.0895","","","","","","1.028","","","","has coordinates,has disorder","182477","2020-10-21","18:00:00",""
"4125069","9.548","0.002","10.705","0.003","12.059","0.003","87.745","0.003","67.638","0.002","83.773","0.003","1133.1","0.5","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C22 H23 F3 N O5 P -","- C22 H23 F3 N O5 P -","- C44 H46 F6 N2 O10 P2 -","2","2","","Morisaki, Kazuhiro; Sawa, Masanao; Yonesaki, Ryohei; Morimoto, Hiroyuki; Mashima, Kazushi; Ohshima, Takashi","Mechanistic Studies and Expansion of the Substrate Scope of Direct Enantioselective Alkynylation of α-Ketiminoesters Catalyzed by Adaptable (Phebox)Rhodium(III) Complexes.","Journal of the American Chemical Society","2016","138","19","6194","6203","10.1021/jacs.6b01590","","","0.71073","MoKα","","0.0396","0.0395","","","0.1029","0.103","","","","","","1.038","","","","has coordinates","183576","2020-10-21","18:00:00",""
"4125070","10.73","0.0014","14.3916","0.0019","18.13","0.002","90","","90","","90","","2799.7","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H27 N2 O4 Rh -","- C34 H27 N2 O4 Rh -","- C136 H108 N8 O16 Rh4 -","4","1","","Morisaki, Kazuhiro; Sawa, Masanao; Yonesaki, Ryohei; Morimoto, Hiroyuki; Mashima, Kazushi; Ohshima, Takashi","Mechanistic Studies and Expansion of the Substrate Scope of Direct Enantioselective Alkynylation of α-Ketiminoesters Catalyzed by Adaptable (Phebox)Rhodium(III) Complexes.","Journal of the American Chemical Society","2016","138","19","6194","6203","10.1021/jacs.6b01590","","","0.71073","MoKα","","0.0178","0.0175","","","0.0451","0.0453","","","","","","1.05","","","","has coordinates","183576","2020-10-21","18:00:00",""
"4125071","5.73","0.0008","20.761","0.003","8.5902","0.0012","90","","100.442","0.002","90","","1005","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 N2 O4 S -","- C24 H20 N2 O4 S -","- C48 H40 N4 O8 S2 -","2","1","","Morisaki, Kazuhiro; Sawa, Masanao; Yonesaki, Ryohei; Morimoto, Hiroyuki; Mashima, Kazushi; Ohshima, Takashi","Mechanistic Studies and Expansion of the Substrate Scope of Direct Enantioselective Alkynylation of α-Ketiminoesters Catalyzed by Adaptable (Phebox)Rhodium(III) Complexes.","Journal of the American Chemical Society","2016","138","19","6194","6203","10.1021/jacs.6b01590","","","0.71073","MoKα","","0.0663","0.064","","","0.1806","0.1849","","","","","","1.517","","","","has coordinates","183576","2020-10-21","18:00:00",""
"4125072","4.358","0.0009","14.881","0.003","7.59","0.0015","90","","90","","90","","492.22","0.17","153","2","153","2","","","","","","","","3","P m c 21","P 2c -2","26","","","","- Ba Hg Se2 -","- Ba Hg Se2 -","- Ba4 Hg4 Se8 -","4","1","","Li, Chao; Yin, Wenlong; Gong, Pifu; Li, Xiaoshuang; Zhou, Molin; Mar, Arthur; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng; Chen, Chuangtian","Trigonal Planar [HgSe3](4-) Unit: A New Kind of Basic Functional Group in IR Nonlinear Optical Materials with Large Susceptibility and Physicochemical Stability.","Journal of the American Chemical Society","2016","138","19","6135","6138","10.1021/jacs.6b03107","","","0.71073","MoKα","","0.0883","0.0679","","","0.133","0.1445","","","","","","0.99","","","","has coordinates","183575","2020-10-21","18:00:00",""
"4125073","21.179","0.005","18.427","0.004","14.466","0.003","90","","99.82","0.003","90","","5563","2","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 B2 O2 -","- C32 H40 B2 O2 -","- C256 H320 B16 O16 -","8","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0984","0.0737","","","0.1698","0.1887","","","","","","1.103","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125074","9.147","0.003","9.787","0.003","31.937","0.01","90","","90","","90","","2859.1","1.6","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 B2 O2 -","- C32 H40 B2 O2 -","- C128 H160 B8 O8 -","4","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.088","0.0749","","","0.184","0.1978","","","","","","1.117","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125075","8.818","0.003","36.059","0.011","8.85","0.003","90","","90.252","0.004","90","","2814","1.6","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 B2 O2 -","- C32 H40 B2 O2 -","- C128 H160 B8 O8 -","4","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0821","0.0688","","","0.1603","0.1703","","","","","","1.143","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125076","15.857","0.003","10.022","0.0016","19.656","0.004","90","","111.004","0.003","90","","2916.2","0.9","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 B2 Br O2 -","- C32 H39 B2 Br O2 -","- C128 H156 B8 Br4 O8 -","4","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0712","0.056","","","0.1283","0.1387","","","","","","1.107","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125077","11.783","0.004","15.689","0.005","15.773","0.005","90","","99.815","0.005","90","","2873.2","1.6","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 B2 Br O2 -","- C32 H39 B2 Br O2 -","- C128 H156 B8 Br4 O8 -","4","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0567","0.0413","","","0.0904","0.0985","","","","","","1.007","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125078","23.103","0.003","16.332","0.0019","15.614","0.0019","90","","99.64","0.002","90","","5808.3","1.2","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H39 B2 Br O2 -","- C32 H39 B2 Br O2 -","- C256 H312 B16 Br8 O16 -","8","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0494","0.0389","","","0.0881","0.0943","","","","","","0.967","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125079","11.801","0.002","15.554","0.003","16.698","0.003","90","","104.974","0.003","90","","2960.9","0.9","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 B2 Br O2 -","- C32 H39 B2 Br O2 -","- C128 H156 B8 Br4 O8 -","4","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0728","0.0543","","","0.1249","0.1366","","","","","","1.074","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125080","9.667","0.003","11.589","0.004","14.115","0.004","90","","96.22","0.005","90","","1572","0.9","93","2","93","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C34 H45 B2 N O2 -","- C34 H45 B2 N O2 -","- C68 H90 B4 N2 O4 -","2","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0659","0.0471","","","0.0963","0.106","","","","","","0.946","","","","has coordinates,has disorder","183569","2020-10-21","18:00:00",""
"4125081","21.448","0.004","18.667","0.004","14.378","0.003","90","","100.147","0.003","90","","5666","2","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H39 B2 F O2 -","- C32 H39 B2 F O2 -","- C256 H312 B16 F8 O16 -","8","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.077","0.0542","","","0.1275","0.1445","","","","","","1.044","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125082","8.705","0.003","35.874","0.012","9.064","0.003","90","","90.276","0.003","90","","2830.5","1.7","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H39 B2 F O2 -","- C32 H39 B2 F O2 -","- C128 H156 B8 F4 O8 -","4","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0993","0.0794","","","0.186","0.2011","","","","","","1.148","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125083","14.316","0.003","14.506","0.002","15.944","0.003","90.042","0.002","112.231","0.003","94.799","0.002","3052.3","1","93.15","","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H39 B2 F3 O2 -","- C33 H39 B2 F3 O2 -","- C132 H156 B8 F12 O8 -","4","2","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.1097","0.0611","","","0.1369","0.1676","","","","","","0.979","","","","has coordinates,has disorder","183569","2020-10-21","18:00:00",""
"4125084","8.4771","0.0016","12.1269","0.0017","16.329","0.003","70.166","0.008","81.088","0.009","69.721","0.008","1479.9","0.5","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H39 B2 F3 O2 -","- C33 H39 B2 F3 O2 -","- C66 H78 B4 F6 O4 -","2","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0802","0.0491","","","0.116","0.1436","","","","","","0.977","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125085","15.935","0.003","13.013","0.003","17.978","0.004","90","","112.28","0.008","90","","3449.6","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H37 Au N O P -","- C41 H19 Au N O P -","- C164 H76 Au4 N4 O4 P4 -","4","1","","Hong, Eugene Yau-Hin; Poon, Chun-Ting; Yam, Vivian Wing-Wah","A Phosphole Oxide-Containing Organogold(III) Complex for Solution-Processable Resistive Memory Devices with Ternary Memory Performances.","Journal of the American Chemical Society","2016","138","20","6368","6371","10.1021/jacs.6b02629","","","0.71073","MoKα","","0.0541","0.0342","","","0.084","0.0892","","","","","","1.092","","","","has coordinates,has disorder","183571","2020-10-21","18:00:00",""
"4125086","9.1983","0.001","16.7173","0.0018","13.7123","0.0015","90","","90.549","0.002","90","","2108.5","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 N O3 S -","- C10 H11 N O3 S -","- C80 H88 N8 O24 S8 -","8","4","","Huang, Yuan; Huang, Rui-Zhi; Zhao, Yu","Cobalt-Catalyzed Enantioselective Vinylation of Activated Ketones and Imines.","Journal of the American Chemical Society","2016","138","20","6571","6576","10.1021/jacs.6b02372","","","0.71073","MoKα","","0.0292","0.0285","","","0.0741","0.0746","","","","","","1.028","","","","has coordinates","183570","2020-10-21","18:00:00",""
"4125087","5.9854","0.0007","7.5004","0.0008","18.085","0.002","90","","97.565","0.004","90","","804.82","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl O3 -","- C19 H17 Cl O3 -","- C38 H34 Cl2 O6 -","2","1","","Huang, Yuan; Huang, Rui-Zhi; Zhao, Yu","Cobalt-Catalyzed Enantioselective Vinylation of Activated Ketones and Imines.","Journal of the American Chemical Society","2016","138","20","6571","6576","10.1021/jacs.6b02372","","","1.54178","CuKα","","0.0243","0.0233","","","0.058","0.0587","","","","","","1.031","","","","has coordinates","183570","2020-10-21","18:00:00",""
"4125088","5.8398","0.0002","21.5974","0.0008","23.1903","0.0008","90","","90","","90","","2924.86","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C132 H144 O36 -","12","3","","Huang, Yuan; Huang, Rui-Zhi; Zhao, Yu","Cobalt-Catalyzed Enantioselective Vinylation of Activated Ketones and Imines.","Journal of the American Chemical Society","2016","138","20","6571","6576","10.1021/jacs.6b02372","","","1.54178","CuKα","","0.0428","0.0377","","","0.0929","0.0962","","","","","","1.054","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4125089","20.096","0.014","20.096","","16.372","0.014","90","","90","","120","","5726","6","296","2","296","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C96 H54 O38 S3 Zr6 -","- C96 H54 O38 S3 Zr6 -","- C96 H54 O38 S3 Zr6 -","1","0.0416667","","Yuan, Shuai; Qin, Jun-Sheng; Zou, Lanfang; Chen, Ying-Pin; Wang, Xuan; Zhang, Qiang; Zhou, Hong-Cai","Thermodynamically Guided Synthesis of Mixed-Linker Zr-MOFs with Enhanced Tunability.","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b03263","","","1.54184","CuKα","","0.2041","0.1396","","","0.2813","0.3253","","","","","","1.007","","","","has coordinates","183013","2020-10-21","18:00:00",""
"4125090","20.069","0.003","20.069","","18.917","0.004","90","","90","","120","","6598.3","1.7","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C102 H54 N4 Ni O32 Zr6 -","- C102.72 H49.86 N4.08 Ni1.02 O30.08 Zr6 -","- C102.72 H49.86 N4.08 Ni1.02 O30.08 Zr6 -","1","0.0416667","","Yuan, Shuai; Qin, Jun-Sheng; Zou, Lanfang; Chen, Ying-Pin; Wang, Xuan; Zhang, Qiang; Zhou, Hong-Cai","Thermodynamically Guided Synthesis of Mixed-Linker Zr-MOFs with Enhanced Tunability.","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b03263","","","1.54184","CuKα","","0.1475","0.1458","","","0.2875","0.2887","","","","","","1.009","","","","has coordinates,has disorder","183013","2020-10-21","18:00:00",""
"4125091","14.8855","0.0008","11.3406","0.0006","20.3764","0.0011","90","","94.041","0.0011","90","","3431.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C45 H38 P2 -","- C45 H38 P2 -","- C180 H152 P8 -","4","1","","Transue, Wesley J.; Velian, Alexandra; Nava, Matthew; Martin-Drumel, Marie-Aline; Womack, Caroline C.; Jiang, Jun; Hou, Gao-Lei; Wang, Xue-Bin; McCarthy, Michael C.; Field, Robert W.; Cummins, Christopher C.","A Molecular Precursor to Phosphaethyne and Its Application in Synthesis of the Aromatic 1,2,3,4-Phosphatriazolate Anion.","Journal of the American Chemical Society","2016","138","21","6731","6734","10.1021/jacs.6b03910","","","0.71073","MoKα","","0.0559","0.04","","","0.0927","0.1015","","","","","","1.039","","","","has coordinates,has disorder","183572","2020-10-21","18:00:00",""
"4125092","11.0044","0.0017","12.0737","0.0019","13.946","0.002","83.904","0.003","82.249","0.003","85.085","0.003","1820.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H59 K N5 O7 P -","- C33 H59 K N5 O7 P -","- C66 H118 K2 N10 O14 P2 -","2","1","","Transue, Wesley J.; Velian, Alexandra; Nava, Matthew; Martin-Drumel, Marie-Aline; Womack, Caroline C.; Jiang, Jun; Hou, Gao-Lei; Wang, Xue-Bin; McCarthy, Michael C.; Field, Robert W.; Cummins, Christopher C.","A Molecular Precursor to Phosphaethyne and Its Application in Synthesis of the Aromatic 1,2,3,4-Phosphatriazolate Anion.","Journal of the American Chemical Society","2016","138","21","6731","6734","10.1021/jacs.6b03910","","","0.71073","MoKα","","0.03","0.0271","","","0.0684","0.0704","","","","","","1.037","","","","has coordinates","183572","2020-10-21","18:00:00",""
"4125093","6.0072","0.0005","10.1348","0.0009","10.3082","0.0009","90.002","0.002","89.996","0.002","83.296","0.002","623.29","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H19 N6 P S -","- C7 H19 N6 P S -","- C14 H38 N12 P2 S2 -","2","1","","Transue, Wesley J.; Velian, Alexandra; Nava, Matthew; Martin-Drumel, Marie-Aline; Womack, Caroline C.; Jiang, Jun; Hou, Gao-Lei; Wang, Xue-Bin; McCarthy, Michael C.; Field, Robert W.; Cummins, Christopher C.","A Molecular Precursor to Phosphaethyne and Its Application in Synthesis of the Aromatic 1,2,3,4-Phosphatriazolate Anion.","Journal of the American Chemical Society","2016","138","21","6731","6734","10.1021/jacs.6b03910","","","0.71073","MoKα","","0.0293","0.0271","","","0.0722","0.0741","","","","","","1.048","","","","has coordinates","183572","2020-10-21","18:00:00",""
"4125094","10.1108","0.0002","12.5567","0.0002","12.7249","0.0009","91.518","0.006","110.105","0.008","113.487","0.008","1366.1","0.17","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H36 Cl2 O8 -","- C29 H36 Cl2 O8 -","- C58 H72 Cl4 O16 -","2","1","","Kaplan, Will; Khatri, Hem Raj; Nagorny, Pavel","Concise Enantioselective Total Synthesis of Cardiotonic Steroids 19-Hydroxysarmentogenin and Trewianin Aglycone.","Journal of the American Chemical Society","2016","138","22","7194","7198","10.1021/jacs.6b04029","","","1.54178","CuKα","","0.0687","0.0647","","","0.1875","0.1928","","","","","","1.139","","","","has coordinates","183568","2020-10-21","18:00:00",""
"4125095","26.4265","0.0007","11.8821","0.0003","19.8835","0.0005","90","","115.18","0.001","90","","5650.2","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2',4',5',7'-Tetrabromofluorescein N-ethoxy-2-methyl pyridinium salt","Eosine N-ethoxy-2-methyl pyridinium","","- C28 H19 Br4 N O6 -","- C28 H19 Br4 N O6 -","- C224 H152 Br32 N8 O48 -","8","1","","Quint, Valentin; Morlet-Savary, Fabrice; Lohier, Jean-François; Lalevée, Jacques; Gaumont, Annie-Claude; Lakhdar, Sami","Metal-Free, Visible Light-Photocatalyzed Synthesis of Benzo[b]phosphole Oxides: Synthetic and Mechanistic Investigations.","Journal of the American Chemical Society","2016","138","23","7436","7441","10.1021/jacs.6b04069","","","0.71073","MoKα","","0.0735","0.0556","","","0.1407","0.1523","","","","","","1.031","","","","has coordinates,has disorder","183573","2020-10-21","18:00:00",""
"4125096","3.9342","0.0005","27.324","0.003","9.9305","0.0014","90","","96.314","0.0015","90","","1061","0.2","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 O5 -","- C10 H14 O5 -","- C40 H56 O20 -","4","1","","Li, Gang; Kuo, Jonathan L.; Han, Arthur; Abuyuan, Janine M.; Young, Lily C.; Norton, Jack R.; Palmer, Joshua H.","Radical Isomerization and Cycloisomerization Initiated by H• Transfer.","Journal of the American Chemical Society","2016","138","24","7698","7704","10.1021/jacs.6b03509","","","0.71073","MoKα","","0.0438","0.0409","","","0.1131","0.1158","","","","","","1.083","","","","has coordinates","184933","2020-10-21","18:00:00",""
"4125097","21.1775","0.0015","18.3158","0.0013","7.0825","0.0005","90","","93.269","0.002","90","","2742.7","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Br2 N S7 Si2 -","- C22 H19 Br2 N S6 Si2 -","- C88 H76 Br8 N4 S24 Si8 -","4","0.5","","Wang, Ying; Zhang, Hui; Pink, Maren; Olankitwanit, Arnon; Rajca, Suchada; Rajca, Andrzej","Radical Cation and Neutral Radical of Aza-thia[7]helicene with SOMO-HOMO Energy Level Inversion.","Journal of the American Chemical Society","2016","138","23","7298","7304","10.1021/jacs.6b01498","","","0.71073","MoKα","","0.0268","0.0227","","","0.0561","0.0578","","","","","","1.049","","","","has coordinates","183574","2020-10-21","18:00:00",""
"4125098","8.8452","0.0002","16.0629","0.0011","13.7551","0.0002","90","","90","","90","","1954.32","0.14","93","2","93","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H32 N6 O5 -","- C14 H32 N6 O5 -","- C56 H128 N24 O20 -","4","0.5","","Kim, Byoungmoo; Chinn, Alex J.; Fandrick, Daniel R.; Senanayake, Chris H.; Singer, Robert A.; Miller, Scott J.","Distal Stereocontrol Using Guanidinylated Peptides as Multifunctional Ligands: Desymmetrization of Diarylmethanes via Ullman Cross-Coupling.","Journal of the American Chemical Society","2016","138","25","7939","7945","10.1021/jacs.6b03444","","","0.71075","MoKα","","0.0403","0.0359","","","0.086","0.0886","","","","","","1.078","","","","has coordinates","184930","2020-10-21","18:00:00",""
"4125099","11.543","0.0008","7.5993","0.0005","14.3503","0.001","90","","99.189","0.004","90","","1242.64","0.15","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H40 Li N5 O11 -","- C18 H40 Li N5 O11 -","- C36 H80 Li2 N10 O22 -","2","1","","Kim, Byoungmoo; Chinn, Alex J.; Fandrick, Daniel R.; Senanayake, Chris H.; Singer, Robert A.; Miller, Scott J.","Distal Stereocontrol Using Guanidinylated Peptides as Multifunctional Ligands: Desymmetrization of Diarylmethanes via Ullman Cross-Coupling.","Journal of the American Chemical Society","2016","138","25","7939","7945","10.1021/jacs.6b03444","","","1.54178","CuKα","","0.0519","0.0342","","","0.0598","0.0653","","","","","","1.029","","","","has coordinates","184930","2020-10-21","18:00:00",""
"4125100","12.3264","0.0017","13.9962","0.0019","13.345","0.0018","90","","100.34","0.007","90","","2264.9","0.5","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Br2 F6 N2 O2 -","- C21 H18 Br2 F6 N2 O2 -","- C84 H72 Br8 F24 N8 O8 -","4","1","","Kim, Byoungmoo; Chinn, Alex J.; Fandrick, Daniel R.; Senanayake, Chris H.; Singer, Robert A.; Miller, Scott J.","Distal Stereocontrol Using Guanidinylated Peptides as Multifunctional Ligands: Desymmetrization of Diarylmethanes via Ullman Cross-Coupling.","Journal of the American Chemical Society","2016","138","25","7939","7945","10.1021/jacs.6b03444","","","0.71075","MoKα","","0.0609","0.044","","","0.082","0.0874","","","","","","1.067","","","","has coordinates","184930","2020-10-21","18:00:00",""
"4125101","8.1091","0.0011","9.773","0.0013","16.327","0.002","90","","90","","90","","1293.9","0.3","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H23 N3 O3 -","- C10 H23 N3 O3 -","- C40 H92 N12 O12 -","4","1","","Kim, Byoungmoo; Chinn, Alex J.; Fandrick, Daniel R.; Senanayake, Chris H.; Singer, Robert A.; Miller, Scott J.","Distal Stereocontrol Using Guanidinylated Peptides as Multifunctional Ligands: Desymmetrization of Diarylmethanes via Ullman Cross-Coupling.","Journal of the American Chemical Society","2016","138","25","7939","7945","10.1021/jacs.6b03444","","","0.71075","MoKα","","0.0503","0.0439","","","0.0859","0.0881","","","","","","1.167","","","","has coordinates","184930","2020-10-21","18:00:00",""
"4125102","10.8788","0.0003","8.3292","0.0002","15.9771","0.0011","90","","97.955","0.007","90","","1433.78","0.11","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 F6 N3 O2 P -","- C8 H18 F6 N3 O2 P -","- C32 H72 F24 N12 O8 P4 -","4","1","","Kim, Byoungmoo; Chinn, Alex J.; Fandrick, Daniel R.; Senanayake, Chris H.; Singer, Robert A.; Miller, Scott J.","Distal Stereocontrol Using Guanidinylated Peptides as Multifunctional Ligands: Desymmetrization of Diarylmethanes via Ullman Cross-Coupling.","Journal of the American Chemical Society","2016","138","25","7939","7945","10.1021/jacs.6b03444","","","0.71075","MoKα","","0.0419","0.0393","","","0.1019","0.1037","","","","","","1.061","","","","has coordinates,has disorder","184930","2020-10-21","18:00:00",""
"4125103","11.6467","0.0009","10.9394","0.0005","11.9902","0.0009","90","","117.808","0.009","90","","1351.23","0.19","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 B F4 N2 O -","- C12 H15 B F4 N2 O -","- C48 H60 B4 F16 N8 O4 -","4","1","","Lau, Genevieve P. S.; Schreier, Marcel; Vasilyev, Dmitry; Scopelliti, Rosario; Grätzel, Michael; Dyson, Paul J.","New Insights Into the Role of Imidazolium-Based Promoters for the Electroreduction of CO2 on a Silver Electrode.","Journal of the American Chemical Society","2016","138","25","7820","7823","10.1021/jacs.6b03366","","x-ray","0.71073","MoKα","","0.0862","0.0519","","","0.1067","0.1235","","","","","","1.032","","","","has coordinates","184931","2020-10-21","18:00:00",""
"4125104","6.6104","0.0004","9.5196","0.0007","10.5103","0.0007","93.681","0.006","98.829","0.004","91.89","0.005","651.6","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 B F4 N3 -","- C12 H12 B F4 N3 -","- C24 H24 B2 F8 N6 -","2","1","","Lau, Genevieve P. S.; Schreier, Marcel; Vasilyev, Dmitry; Scopelliti, Rosario; Grätzel, Michael; Dyson, Paul J.","New Insights Into the Role of Imidazolium-Based Promoters for the Electroreduction of CO2 on a Silver Electrode.","Journal of the American Chemical Society","2016","138","25","7820","7823","10.1021/jacs.6b03366","","","0.71073","MoKα","","0.0638","0.0488","","","0.113","0.1237","","","","","","1.053","","","","has coordinates,has disorder","184931","2020-10-21","18:00:00",""
"4125105","10.4842","0.0012","10.524","0.0012","12.4159","0.0016","114.73","0.013","90.775","0.01","90.061","0.01","1244.1","0.3","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 B F5 N2 -","- C11 H12 B F5 N2 -","- C44 H48 B4 F20 N8 -","4","2","","Lau, Genevieve P. S.; Schreier, Marcel; Vasilyev, Dmitry; Scopelliti, Rosario; Grätzel, Michael; Dyson, Paul J.","New Insights Into the Role of Imidazolium-Based Promoters for the Electroreduction of CO2 on a Silver Electrode.","Journal of the American Chemical Society","2016","138","25","7820","7823","10.1021/jacs.6b03366","","","0.71073","MoKα","","0.1508","0.1319","","","0.3859","0.4068","","","","","","1.556","","","","has coordinates","184931","2020-10-21","18:00:00",""
"4125106","10.153","0.002","10.7563","0.0017","12.182","0.0019","88.021","0.013","65.88","0.019","85.439","0.016","1210.4","0.4","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 B F4 N2 -","- C11 H13 B F4 N2 -","- C44 H52 B4 F16 N8 -","4","2","","Lau, Genevieve P. S.; Schreier, Marcel; Vasilyev, Dmitry; Scopelliti, Rosario; Grätzel, Michael; Dyson, Paul J.","New Insights Into the Role of Imidazolium-Based Promoters for the Electroreduction of CO2 on a Silver Electrode.","Journal of the American Chemical Society","2016","138","25","7820","7823","10.1021/jacs.6b03366","","","0.71073","MoKα","","0.2269","0.1784","","","0.4191","0.4608","","","","","","1.316","","","","has coordinates","184931","2020-10-21","18:00:00",""
"4125107","10.0336","0.0006","9.9876","0.0006","21.8458","0.0015","90","","95.333","0.003","90","","2179.7","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Cl Cu I N -","- C20 H30 Cl Cu I N -","- C80 H120 Cl4 Cu4 I4 N4 -","4","1","","Chu, Jiaxiang; Munz, Dominik; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Synthesis of Hemilabile Cyclic (Alkyl)(amino)carbenes (CAACs) and Applications in Organometallic Chemistry.","Journal of the American Chemical Society","2016","138","25","7884","7887","10.1021/jacs.6b05221","","x-ray","0.71073","MoKα","","0.0639","0.0563","","","0.1452","0.149","","","","","","1.149","","","","has coordinates","184932","2020-10-21","18:00:00",""
"4125108","13.7142","0.0005","15.7707","0.0007","15.8385","0.0007","88.698","0.002","87.417","0.002","82.569","0.002","3392.9","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","ImineCAACPdBiphenyl","","- C78 H68 Au B F20 N2 -","- C78 H68 Au B F20 N2 -","- C156 H136 Au2 B2 F40 N4 -","2","1","","Chu, Jiaxiang; Munz, Dominik; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Synthesis of Hemilabile Cyclic (Alkyl)(amino)carbenes (CAACs) and Applications in Organometallic Chemistry.","Journal of the American Chemical Society","2016","138","25","7884","7887","10.1021/jacs.6b05221","","x-ray","0.71073","MoKα","","0.0446","0.0311","","","0.0586","0.0628","","","","","","1.013","","","","has coordinates","184932","2020-10-21","18:00:00",""
"4125109","10.0911","0.0007","18.5601","0.0014","19.6959","0.0014","106.828","0.002","94.902","0.002","98.618","0.002","3458.6","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 Au Cl N2 -","- C36 H54 Au Cl N2 -","- C144 H216 Au4 Cl4 N8 -","4","2","","Chu, Jiaxiang; Munz, Dominik; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Synthesis of Hemilabile Cyclic (Alkyl)(amino)carbenes (CAACs) and Applications in Organometallic Chemistry.","Journal of the American Chemical Society","2016","138","25","7884","7887","10.1021/jacs.6b05221","","x-ray","0.71073","MoKα","","0.0718","0.0405","","","0.0746","0.0836","","","","","","1.019","","","","has coordinates","184932","2020-10-21","18:00:00",""
"4125110","8.4234","0.0003","16.0108","0.0006","8.5636","0.0003","90","","101.32","0.002","90","","1132.47","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H36 Cl Cu N2 -","- C22 H36 Cl Cu N2 -","- C44 H72 Cl2 Cu2 N4 -","2","1","","Chu, Jiaxiang; Munz, Dominik; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Synthesis of Hemilabile Cyclic (Alkyl)(amino)carbenes (CAACs) and Applications in Organometallic Chemistry.","Journal of the American Chemical Society","2016","138","25","7884","7887","10.1021/jacs.6b05221","","x-ray","0.71073","MoKα","","0.038","0.034","","","0.0796","0.0822","","","","","","1.021","","","","has coordinates","184932","2020-10-21","18:00:00",""
"4125111","6.3999","0.00018","18.9408","0.0006","11.3358","0.0004","90","","92.523","0.003","90","","1372.78","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N3 S -","- C13 H19 N3 S -","- C52 H76 N12 S4 -","4","2","","Howe, Ethan N. W.; Busschaert, Nathalie; Wu, Xin; Berry, Stuart N.; Ho, Junming; Light, Mark E.; Czech, Dawid D.; Klein, Harry A.; Kitchen, Jonathan A.; Gale, Philip A.","pH-Regulated Nonelectrogenic Anion Transport by Phenylthiosemicarbazones.","Journal of the American Chemical Society","2016","138","26","8301","8308","10.1021/jacs.6b04656","","x-ray","0.71073","MoKα","","0.0394","0.0347","","","0.0794","0.0819","","","","","","1.022","","","","has coordinates","187899","2020-10-21","18:00:00",""
"4125112","10.5978","0.0004","10.4507","0.0004","27.0588","0.001","90","","90","","90","","2996.9","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H21 N3 O S -","- C14 H21 N3 O S -","- C112 H168 N24 O8 S8 -","8","1","","Howe, Ethan N. W.; Busschaert, Nathalie; Wu, Xin; Berry, Stuart N.; Ho, Junming; Light, Mark E.; Czech, Dawid D.; Klein, Harry A.; Kitchen, Jonathan A.; Gale, Philip A.","pH-Regulated Nonelectrogenic Anion Transport by Phenylthiosemicarbazones.","Journal of the American Chemical Society","2016","138","26","8301","8308","10.1021/jacs.6b04656","","x-ray","0.71073","MoKα","","0.0509","0.04","","","0.1021","0.1088","","","","","","1.001","","","","has coordinates","187899","2020-10-21","18:00:00",""
"4125113","13.7959","0.0004","13.3873","0.0004","8.3649","0.0002","90","","92.859","0.003","90","","1542.99","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 F3 N3 S -","- C14 H18 F3 N3 S -","- C56 H72 F12 N12 S4 -","4","1","","Howe, Ethan N. W.; Busschaert, Nathalie; Wu, Xin; Berry, Stuart N.; Ho, Junming; Light, Mark E.; Czech, Dawid D.; Klein, Harry A.; Kitchen, Jonathan A.; Gale, Philip A.","pH-Regulated Nonelectrogenic Anion Transport by Phenylthiosemicarbazones.","Journal of the American Chemical Society","2016","138","26","8301","8308","10.1021/jacs.6b04656","","x-ray","0.71073","MoKα","","0.056","0.0431","","","0.1046","0.1108","","","","","","1.039","","","","has coordinates","187899","2020-10-21","18:00:00",""
"4125114","15.8157","0.0009","7.5474","0.0004","11.0448","0.0006","90","","91.419","0.005","90","","1317.98","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N3 S -","- C13 H17 N3 S -","- C52 H68 N12 S4 -","4","1","","Howe, Ethan N. W.; Busschaert, Nathalie; Wu, Xin; Berry, Stuart N.; Ho, Junming; Light, Mark E.; Czech, Dawid D.; Klein, Harry A.; Kitchen, Jonathan A.; Gale, Philip A.","pH-Regulated Nonelectrogenic Anion Transport by Phenylthiosemicarbazones.","Journal of the American Chemical Society","2016","138","26","8301","8308","10.1021/jacs.6b04656","","x-ray","0.71073","MoKα","","0.1348","0.0645","","","0.1062","0.1251","","","","","","1.018","","","","has coordinates","187899","2020-10-21","18:00:00",""
"4125115","7.9683","0.0002","10.4097","0.0003","22.0972","0.0008","90","","90","","90","","1832.91","0.1","185","","185","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N2 O3 -","- C23 H24 N2 O3 -","- C92 H96 N8 O12 -","4","1","","Allemann, Oliver; Brutsch, Manuela; Lukesh, 3rd, John C; Brody, Daniel M.; Boger, Dale L.","Synthesis of a Potent Vinblastine: Rationally Designed Added Benign Complexity.","Journal of the American Chemical Society","2016","138","27","8376","8379","10.1021/jacs.6b04330","","x-ray","0.71073","MoKα","","0.0469","0.0365","","","0.081","0.0863","","","","","","1.047","","","","has coordinates","187903","2020-10-21","18:00:00",""
"4125116","9.8718","0.0011","16.9815","0.0018","36.212","0.004","90","","97.081","0.002","90","","6024.2","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Cl7 N -","- C25 H38 Cl7 N -","- C200 H304 Cl56 N8 -","8","2","","Zhukhovitskiy, Aleksandr V.; Mavros, Michael G.; Queeney, K. T.; Wu, Tony; Voorhis, Troy Van; Johnson, Jeremiah A.","Reactions of Persistent Carbenes with Hydrogen-Terminated Silicon Surfaces.","Journal of the American Chemical Society","2016","138","27","8639","8652","10.1021/jacs.6b04962","","","0.71073","MoKα","","0.0585","0.0388","","","0.0903","0.101","","","","","","1.028","","","","has coordinates,has disorder","187904","2020-10-21","18:00:00",""
"4125117","12.6127","0.0008","15.2311","0.001","17.9955","0.0011","69.5328","0.0015","88.0275","0.0013","88.8565","0.0013","3236.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H29 F3 N2 O5 S -","- C18.9999 H29 F2.9997 N2 O4.9997 S0.9999 -","- C113.999 H174 F17.9982 N12 O29.9982 S5.9994 -","6","3","","Zhukhovitskiy, Aleksandr V.; Mavros, Michael G.; Queeney, K. T.; Wu, Tony; Voorhis, Troy Van; Johnson, Jeremiah A.","Reactions of Persistent Carbenes with Hydrogen-Terminated Silicon Surfaces.","Journal of the American Chemical Society","2016","138","27","8639","8652","10.1021/jacs.6b04962","","","0.71073","MoKα","","0.0527","0.0391","","","0.1002","0.1081","","","","","","1.025","","","","has coordinates,has disorder","187904","2020-10-21","18:00:00",""
"4125118","12.4987","0.0005","16.0655","0.0007","17.6184","0.0007","90","","94.9451","0.0009","90","","3524.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H63 N Si4 -","- C32 H63 N Si4 -","- C128 H252 N4 Si16 -","4","1","","Zhukhovitskiy, Aleksandr V.; Mavros, Michael G.; Queeney, K. T.; Wu, Tony; Voorhis, Troy Van; Johnson, Jeremiah A.","Reactions of Persistent Carbenes with Hydrogen-Terminated Silicon Surfaces.","Journal of the American Chemical Society","2016","138","27","8639","8652","10.1021/jacs.6b04962","","","0.71073","MoKα","","0.0339","0.0286","","","0.0749","0.0784","","","","","","1.035","","","","has coordinates","187904","2020-10-21","18:00:00",""
"4125119","8.7865","0.0008","21.4221","0.0018","13.4402","0.0011","90","","94.5721","0.0017","90","","2521.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 F3 N2 O5 S -","- C25 H29 F3 N2 O5 S -","- C100 H116 F12 N8 O20 S4 -","4","1","","Zhukhovitskiy, Aleksandr V.; Mavros, Michael G.; Queeney, K. T.; Wu, Tony; Voorhis, Troy Van; Johnson, Jeremiah A.","Reactions of Persistent Carbenes with Hydrogen-Terminated Silicon Surfaces.","Journal of the American Chemical Society","2016","138","27","8639","8652","10.1021/jacs.6b04962","","","0.71073","MoKα","","0.0528","0.0419","","","0.102","0.1081","","","","","","1.058","","","","has coordinates","187904","2020-10-21","18:00:00",""
"4125120","7.1525","0.0004","23.0424","0.0018","11.829","0.0009","90","","90.688","0.006","90","","1949.4","0.2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl4 N4 O Ru S -","- C14 H15 Cl4 N4 O Ru S -","- C56 H60 Cl16 N16 O4 Ru4 S4 -","4","1","","Novotný, Jan; Sojka, Martin; Komorovsky, Stanislav; Nečas, Marek; Marek, Radek","Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations.","Journal of the American Chemical Society","2016","138","27","8432","8445","10.1021/jacs.6b02749","","","0.71075","MolybdenumKα","","0.0768","0.0709","","","0.2195","0.2295","","","","","","1.035","","","","has coordinates","187905","2020-10-21","18:00:00",""
"4125121","7.8013","0.0002","10.8212","0.0004","25.017","0.0008","90","","95.03","0.002","90","","2103.79","0.12","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl4 F6 N2 O Ru S -","- C14 H15 Cl4 F6 N2 O Ru S -","- C56 H60 Cl16 F24 N8 O4 Ru4 S4 -","4","1","","Novotný, Jan; Sojka, Martin; Komorovsky, Stanislav; Nečas, Marek; Marek, Radek","Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations.","Journal of the American Chemical Society","2016","138","27","8432","8445","10.1021/jacs.6b02749","","","0.71075","MolybdenumKα","","0.0376","0.03","","","0.0745","0.0788","","","","","","1.032","","","","has coordinates,has disorder","187905","2020-10-21","18:00:00",""
"4125122","15.1499","0.0003","17.3913","0.0003","23.9791","0.0004","76.679","0.002","89.978","0.002","77.344","0.002","5990.2","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C26.5 H30 Cl5 N2 O Ru S -","- C26.5 H30 Cl5 N2 O Ru S -","- C212 H240 Cl40 N16 O8 Ru8 S8 -","8","4","","Novotný, Jan; Sojka, Martin; Komorovsky, Stanislav; Nečas, Marek; Marek, Radek","Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations.","Journal of the American Chemical Society","2016","138","27","8432","8445","10.1021/jacs.6b02749","","","0.71075","MolybdenumKα","","0.0575","0.0455","","","0.1381","0.1461","","","","","","1.014","","","","has coordinates,has disorder","187905","2020-10-21","18:00:00",""
"4125123","9.2004","0.0001","15.21","0.0003","15.6366","0.0002","71.257","0.001","73.832","0.001","72.534","0.002","1936.04","0.05","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H21 Cl4 N2 O Rh S -","- C14 H21 Cl4 N2 O Rh S -","- C56 H84 Cl16 N8 O4 Rh4 S4 -","4","2","","Novotný, Jan; Sojka, Martin; Komorovsky, Stanislav; Nečas, Marek; Marek, Radek","Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations.","Journal of the American Chemical Society","2016","138","27","8432","8445","10.1021/jacs.6b02749","","","0.71075","MolybdenumKα","","0.0226","0.0216","","","0.054","0.0547","","","","","","1.053","","","","has coordinates","187905","2020-10-21","18:00:00",""
"4125124","7.1887","0.0002","22.9114","0.0007","11.8104","0.0003","90","","90.63","0.003","90","","1945.09","0.09","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl4 N4 O Rh S -","- C14 H15 Cl4 N4 O Rh S -","- C56 H60 Cl16 N16 O4 Rh4 S4 -","4","1","","Novotný, Jan; Sojka, Martin; Komorovsky, Stanislav; Nečas, Marek; Marek, Radek","Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations.","Journal of the American Chemical Society","2016","138","27","8432","8445","10.1021/jacs.6b02749","","","0.71073","MoKα","","0.0499","0.0412","","","0.1105","0.1164","","","","","","1.079","","","","has coordinates","187905","2020-10-21","18:00:00",""
"4125125","7.7976","0.0004","10.7641","0.0006","25.0618","0.0016","90","","95.151","0.005","90","","2095","0.2","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl4 F6 N2 O Rh S -","- C14 H15 Cl4 F6 N2 O Rh S -","- C56 H60 Cl16 F24 N8 O4 Rh4 S4 -","4","1","","Novotný, Jan; Sojka, Martin; Komorovsky, Stanislav; Nečas, Marek; Marek, Radek","Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations.","Journal of the American Chemical Society","2016","138","27","8432","8445","10.1021/jacs.6b02749","","","0.71073","MoKα","","0.0822","0.0779","","","0.2138","0.2171","","","","","","1.103","","","","has coordinates,has disorder","187905","2020-10-21","18:00:00",""
"4125126","12.0966","0.0009","12.7937","0.001","16.0697","0.0012","81.918","0.002","70.076","0.002","64.935","0.002","2117.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H27 I N O P -","- C22 H27 I N O P -","- C88 H108 I4 N4 O4 P4 -","4","2","","Yang, Youqing; Li, Ruirui; Zhao, Yue; Zhao, Dongbing; Shi, Zhuangzhi","Cu-Catalyzed Direct C6-Arylation of Indoles.","Journal of the American Chemical Society","2016","138","28","8734","8737","10.1021/jacs.6b05777","","","0.71073","MoKα","","0.0762","0.0707","","","0.2276","0.2302","","","","","","1.169","","","","has coordinates","187926","2020-10-21","18:00:00",""
"4125127","13.0319","0.0016","12.8304","0.0015","23.089","0.003","90","","90","","90","","3860.6","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H28 N O P -","- C22 H28 N O P -","- C176 H224 N8 O8 P8 -","8","1","","Yang, Youqing; Li, Ruirui; Zhao, Yue; Zhao, Dongbing; Shi, Zhuangzhi","Cu-Catalyzed Direct C6-Arylation of Indoles.","Journal of the American Chemical Society","2016","138","28","8734","8737","10.1021/jacs.6b05777","","","0.71073","MoKα","","0.0414","0.0371","","","0.096","0.0989","","","","","","1.06","","","","has coordinates","187926","2020-10-21","18:00:00",""
"4125128","4.581","0.016","20.94","0.06","21.9","0.07","90","","92.86","0.05","90","","2098","12","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 O8 -","- C23 H24 O8 -","- C92 H96 O32 -","4","1","","Lahive, Ciaran W.; Deuss, Peter J.; Lancefield, Christopher S.; Sun, Zhuohua; Cordes, David B.; Young, Claire M.; Tran, Fanny; Slawin, Alexandra M. Z.; de Vries, Johannes G.; Kamer, Paul C. J.; Westwood, Nicholas J.; Barta, Katalin","Advanced Model Compounds for Understanding Acid-Catalyzed Lignin Depolymerization: Identification of Renewable Aromatics and a Lignin-Derived Solvent.","Journal of the American Chemical Society","2016","138","28","8900","8911","10.1021/jacs.6b04144","","","1.54187","CuKα","","0.1803","0.1345","","","0.3222","0.3809","","","","","","1.024","","","","has coordinates","187928","2020-10-21","18:00:00",""
"4125129","8.6085","0.001","26.787","0.003","7.8482","0.0009","90","","97.903","0.003","90","","1792.6","0.4","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O7 -","- C20 H20 O7 -","- C80 H80 O28 -","4","1","","Lahive, Ciaran W.; Deuss, Peter J.; Lancefield, Christopher S.; Sun, Zhuohua; Cordes, David B.; Young, Claire M.; Tran, Fanny; Slawin, Alexandra M. Z.; de Vries, Johannes G.; Kamer, Paul C. J.; Westwood, Nicholas J.; Barta, Katalin","Advanced Model Compounds for Understanding Acid-Catalyzed Lignin Depolymerization: Identification of Renewable Aromatics and a Lignin-Derived Solvent.","Journal of the American Chemical Society","2016","138","28","8900","8911","10.1021/jacs.6b04144","","","0.71075","MoKα","","0.0402","0.0349","","","0.0999","0.1022","","","","","","1.113","","","","has coordinates","187928","2020-10-21","18:00:00",""
"4125130","24.263","0.004","24.263","0.004","14.615","0.003","90","","90","","90","","8604","3","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O40 Zr6 -","- C64 H48 O40 Zr6 -","- C128 H96 O80 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.0852","0.0651","","","0.1488","0.1539","","","","","","1.007","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125131","24.25","0.005","24.25","0.005","15.232","0.003","90","","90","","90","","8957","3","110","2","110","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C56 H24 N8 O48 Zr6 -","- C56 H24 N8 O48 Zr6 -","- C112 H48 N16 O96 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.078","0.0506","","","0.1044","0.1138","","","","","","1.001","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125132","24.348","0.014","24.348","","14.918","0.009","90","","90","","90","","8844","7","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H56 O32 Zr6 -","- C64 H56 O32 Zr6 -","- C128 H112 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.0644","0.0417","","","0.091","0.0961","","","","","","1.001","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125133","24.35","0.03","24.354","","14.797","0.016","90","","90","","90","","8775","14","110","2","110","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C56 H24 I8 O32 Zr6 -","- C56 H24 I8 O32 Zr6 -","- C112 H48 I16 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.2289","0.08","","","0.145","0.1665","","","","","","1.002","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125134","34.882","0.006","34.882","","12.086","0.002","90","","90","","90","","14706","4","110","2","110","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C64 H24 F24 O32 Zr6 -","- C64 H24 F24 O32 Zr6 -","- C256 H96 F96 O128 Zr24 -","4","0.25","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1149","0.0865","","","0.1904","0.201","","","","","","1.004","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125135","23.024","0.002","23.024","0.002","18.6484","0.0019","90","","90","","90","","9885.6","1.6","110","2","110","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C56 H16 N16 O64 Zr6 -","- C56 H16 N16 O64 Zr6 -","- C112 H32 N32 O128 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1483","0.0889","","","0.1925","0.2107","","","","","","1.008","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125136","24.218","0.01","24.218","","15.359","0.006","90","","90","","90","","9008","5","173","2","173","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C72 H64 O32 Zr6 -","- C72 H64 O32 Zr6 -","- C144 H128 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1586","0.0582","","","0.1079","0.121","","","","","","1.004","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125137","23.0867","0.0009","23.087","","18.8049","0.0008","90","","90","","90","","10023.1","0.6","110","2","110","2","","","","","","","","7","P 42/m m c","-P 4c 2","131","","","","- C98 H70 Cu0.53 I0.27 N2.27 O32 Zr6 -","- C98 H70 Cu0.58 I0.1448 N2.1448 O32 Zr6 -","- C196 H140 Cu1.16 I0.2896 N4.2896 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","1.54184","CuKα","","0.0964","0.0815","","","0.1899","0.1966","","","","","","1.002","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125138","35.053","0.017","35.053","","12.665","0.006","90","","90","","90","","15562","11","110","2","110","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C68 H50 O32 Zr6 -","- C68 H50 O32 Zr6 -","- C272 H200 O128 Zr24 -","4","0.25","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.144","0.0616","","","0.1114","0.1247","","","","","","1.003","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125139","24.4","0.03","24.401","","14.88","0.02","90","","90","","90","","8859","16","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C72 H58 O32 Zr6 -","- C72 H58 O32 Zr6 -","- C144 H116 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.0865","0.0565","","","0.1271","0.1359","","","","","","1.006","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125140","23.679","0.008","23.679","","16.816","0.006","90","","90","","90","","9429","5","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C76 H54 O32 Zr6 -","- C76 H54 O32 Zr6 -","- C152 H108 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.0728","0.0497","","","0.1097","0.1154","","","","","","1.004","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125141","23.07","0.03","23.075","","19.16","0.02","90","","90","","90","","10200","17","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C70 H40 O32 Zr6 -","- C70 H40 O32 Zr6 -","- C140 H80 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.3601","0.1064","","","0.173","0.2192","","","","","","0.979","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125142","23.91","0.011","23.91","","16.057","0.008","90","","90","","90","","9180","6","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C86 H70 O32 Zr6 -","- C86 H70 O32 Zr6 -","- C172 H140 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1771","0.0802","","","0.1622","0.1884","","","","","","1.003","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125143","24.378","0.01","24.378","","15.017","0.006","90","","90","","90","","8924","5","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C74 H54 O32 Zr6 -","- C73.26 H54.08 O32 Zr6 -","- C146.52 H108.16 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1316","0.0772","","","0.17","0.1794","","","","","","1.002","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125144","34.29","0.03","34.293","","14.665","0.012","90","","90","","90","","17245","2","110","2","110","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- C83 H65 O32 Zr6 -","- C83 H65 O32 Zr6 -","- C332 H260 O128 Zr24 -","4","0.25","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.2183","0.095","","","0.1906","0.2166","","","","","","1.002","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125145","24.288","0.011","24.288","","14.859","0.007","90","","90","","90","","8765","6","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C82 H58 O32 Zr6 -","- C81.26 H58.08 O32 Zr6 -","- C162.52 H116.16 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1441","0.0831","","","0.1862","0.1984","","","","","","1.008","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125146","33.505","0.013","33.505","","16.824","0.007","90","","90","","90","","18886","11","110","2","110","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- C87 H62 O32 Zr6 -","- C87 H66 O32 Zr6 -","- C348 H264 O128 Zr24 -","4","0.25","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1803","0.116","","","0.2652","0.2882","","","","","","1.001","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125147","23.9","0.003","23.9","","16.817","0.002","90","","90","","90","","9606","1.7","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C96 H66 O32 Zr6 -","- C95 H66 O32 Zr6 -","- C190 H132 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1614","0.1263","","","0.2823","0.2946","","","","","","1.012","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125148","23.33","0.04","23.332","","19.07","0.03","90","","90","","90","","10380","2","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C80.8 H49.6 O28.8 Zr6 -","- C80.8 H49.6 O28.8 Zr6 -","- C161.6 H99.2 O57.6 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.2678","0.1025","","","0.1844","0.2288","","","","","","1.004","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125149","7.0696","0.0007","10.6921","0.001","16.9433","0.0016","105.252","0.008","91.082","0.008","103.892","0.008","1194.9","0.2","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H16 B2 O4 -","- C30 H16 B2 O4 -","- C60 H32 B4 O8 -","2","1","","Wang, Xiao-Ye; Narita, Akimitsu; Zhang, Wen; Feng, Xinliang; Müllen, Klaus","Synthesis of Stable Nanographenes with OBO-Doped Zigzag Edges Based on Tandem Demethylation-Electrophilic Borylation.","Journal of the American Chemical Society","2016","138","29","9021","9024","10.1021/jacs.6b04092","","","0.71073","MoKα","","0.1905","0.072","","","0.1529","0.212","","","","","","0.925","","","","has coordinates","187914","2020-10-21","18:00:00",""
"4125150","12.788","0.0012","10.8486","0.0008","9.2601","0.001","90","","90","","90","","1284.7","0.2","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H16 B10 N2 -","- C6 H16 B10 N2 -","- C24 H64 B40 N8 -","4","1","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","x-ray","0.71073","MoKα","","0.0387","0.0345","","","0.0856","0.0877","","","","","","1.097","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125151","8.6489","0.0005","13.1773","0.0008","13.8649","0.0011","90","","94.794","0.004","90","","1574.64","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C40 H80 B40 O4 -","4","1","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","x-ray","0.71073","MoKα","","0.0963","0.0694","","","0.2004","0.2206","","","","","","1.078","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125152","12.862","0.0012","12.2276","0.0009","13.0826","0.0011","90","","90","","90","","2057.5","0.3","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H11 B10 N -","- C3 H11 B10 N -","- C24 H88 B80 N8 -","8","1","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","","0.71073","MoKα","","0.0897","0.0529","","","0.1329","0.1567","","","","","","1.024","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125153","7.7608","0.0007","11.8506","0.0009","13.1031","0.0011","103.335","0.004","100.977","0.005","103.535","0.004","1101.34","0.17","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H28 B10 O2 -","- C18 H28 B10 O2 -","- C36 H56 B20 O4 -","2","1","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","","0.71073","MoKα","","0.0916","0.0463","","","0.1023","0.1156","","","","","","0.89","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125154","12.5493","0.0003","13.4359","0.0003","24.2837","0.0007","90","","90","","90","","4094.5","0.18","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H11 B10 Br O -","- C2 H11 B10 Br O -","- C32 H176 B160 Br16 O16 -","16","2","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","","0.71073","MoKα","","0.0669","0.0376","","","0.0742","0.0815","","","","","","1.017","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125155","7.6501","0.0006","13.2544","0.0009","15.2454","0.001","90","","90","","90","","1545.85","0.19","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C40 H80 B40 O4 -","4","1","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","x-ray","0.71073","MoKα","","0.0465","0.0367","","","0.0844","0.0901","","","","","","1.023","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125156","12.7259","0.0007","12.9299","0.0007","20.6344","0.001","100.156","0.002","98.573","0.002","96.338","0.002","3272","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H21 B10 N O2 -","- C10 H21 B10 N O2 -","- C80 H168 B80 N8 O16 -","8","4","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","","0.71073","MoKα","","0.0932","0.0564","","","0.1412","0.1625","","","","","","1.026","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125157","10.0301","0.0004","11.1977","0.0005","12.2876","0.0005","89.531","0.002","71.447","0.002","64.321","0.002","1165.47","0.09","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H32 Cl2 F12 I2 O6 -","- C49 H32 Cl2 F12 I2 O6 -","- C49 H32 Cl2 F12 I2 O6 -","1","0.5","","Wu, Junliang; Deng, Xiaozhou; Hirao, Hajime; Yoshikai, Naohiko","Pd-Catalyzed Conversion of Alkynyl-λ(3)-iodanes to Alkenyl-λ(3)-iodanes via Stereoselective 1,2-Iodine(III) Shift/1,1-Hydrocarboxylation.","Journal of the American Chemical Society","2016","138","29","9105","9108","10.1021/jacs.6b06247","","","0.71073","MoKα","","0.0543","0.0424","","","0.0953","0.1023","","","","","","1.004","","","","has coordinates,has disorder","187915","2020-10-21","18:00:00",""
"4125158","8.8713","0.0003","10.9507","0.0003","11.5619","0.0003","86.324","0.002","83.416","0.002","88.711","0.002","1113.37","0.06","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 F6 I O3 -","- C24 H15 F6 I O3 -","- C48 H30 F12 I2 O6 -","2","1","","Wu, Junliang; Deng, Xiaozhou; Hirao, Hajime; Yoshikai, Naohiko","Pd-Catalyzed Conversion of Alkynyl-λ(3)-iodanes to Alkenyl-λ(3)-iodanes via Stereoselective 1,2-Iodine(III) Shift/1,1-Hydrocarboxylation.","Journal of the American Chemical Society","2016","138","29","9105","9108","10.1021/jacs.6b06247","","","0.71073","MoKα","","0.0245","0.0204","","","0.0473","0.0492","","","","","","1.106","","","","has coordinates","187915","2020-10-21","18:00:00",""
"4125159","12.5093","0.0011","13.2893","0.0012","31.967","0.003","90","","93.927","0.001","90","","5301.7","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H80 Cl N2 Os P -","- C56 H80 Cl N2 Os P -","- C224 H320 Cl4 N8 Os4 P4 -","4","1","","Buil, María L; Cardo, Juan J. F.; Esteruelas, Miguel A.; Oñate, Enrique","Square-Planar Alkylidyne-Osmium and Five-Coordinate Alkylidene-Osmium Complexes: Controlling the Transformation from Hydride-Alkylidyne to Alkylidene.","Journal of the American Chemical Society","2016","138","30","9720","9728","10.1021/jacs.6b05825","","","0.71073","MoKα","","0.1324","0.0968","","","0.1829","0.1962","","","","","","1.219","","","","has coordinates,has disorder","187896","2020-10-21","18:00:00",""
"4125160","24.642","0.003","24.642","0.003","16.016","0.002","90","","90","","90","","9725","2","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C45.5 H68 Cl N2 Os P -","- C45.5 H68 Cl N2 Os P -","- C364 H544 Cl8 N16 Os8 P8 -","8","1","","Buil, María L; Cardo, Juan J. F.; Esteruelas, Miguel A.; Oñate, Enrique","Square-Planar Alkylidyne-Osmium and Five-Coordinate Alkylidene-Osmium Complexes: Controlling the Transformation from Hydride-Alkylidyne to Alkylidene.","Journal of the American Chemical Society","2016","138","30","9720","9728","10.1021/jacs.6b05825","","","0.71073","MoKα","","0.1129","0.0499","","","0.1238","0.1621","","","","","","1.096","","","","has coordinates,has disorder","187896","2020-10-21","18:00:00",""
"4125161","24.307","0.0019","24.5206","0.0018","25.3072","0.0018","118.393","0.002","111.787","0.002","93.769","0.002","11767.2","1.6","296.15","","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C196 Cu24 O120 -","- C196 Cu24 O120 -","- C196 Cu24 O120 -","1","0.5","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.1153","0.0603","","","0.1582","0.1721","","","","","","0.803","","","","has coordinates","187897","2020-10-21","18:00:00",""
"4125162","36.076","0.002","36.076","0.002","29.2307","0.0019","90","","90","","120","","32946","3","100","","100","","","","","","","","","4","R -3","-R 3","148","","","","- C192 Cu24 N24 O168 -","- C192 Cu24 N24 O168 -","- C576 Cu72 N72 O504 -","3","","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.0989","0.0797","","","0.2159","0.2353","","","","","","1.022","","","","has coordinates,has disorder","187897","2020-10-21","18:00:00",""
"4125163","27.401","0.011","27.401","0.011","35.409","0.014","90","","90","","90","","26586","18","296","2","296.15","","","","","","","","","3","I 4/m","-I 4","87","","","","- C192 Cu24 O144 -","- C192 Cu24 O144 -","- C384 Cu48 O288 -","2","0.125","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.0808","0.0529","","","0.1339","0.1406","","","","","","0.9139","","","","has coordinates","187897","2020-10-21","18:00:00",""
"4125164","35.66","0.003","35.66","0.003","30.219","0.003","90","","90","","120","","33279","5","","","100","","","","","","","","","3","R -3","-R 3","148","","","","- C36 Cu4 O20 -","- C36 Cu4 O20 -","- C648 Cu72 O360 -","18","","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.0921","0.0713","","","0.1872","0.2031","","","","","","1.0267","","","","has coordinates","187897","2020-10-21","18:00:00",""
"4125165","27.57","0.002","27.57","0.002","27.57","0.002","90","","90","","90","","20956","3","296.15","","296.15","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C192 H96 Cu24 O120 -","- C192 H96 Cu24 O120 -","- C384 H192 Cu48 O240 -","2","0.0208333","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.0828","0.0618","","","0.1657","0.1773","","","","","","0.9908","","","","has coordinates","187897","2020-10-21","18:00:00",""
"4125166","26.217","0.002","26.217","0.002","44.813","0.005","90","","90","","90","","30801","5","100","2","100","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C192 Cu28 N24 O132 -","- C192 Cu28 N24 O132 -","- C384 Cu56 N48 O264 -","2","0.0625","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.1303","0.0967","","","0.2659","0.2954","","","","","","0.9787","","","","has coordinates","187897","2020-10-21","18:00:00",""
"4125167","36.173","0.007","36.173","0.007","29.289","0.006","90","","90","","120","","33190","11","100","","100","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C198 Cu24 N24 O168 -","- C198 Cu24 N24 O168 -","- C594 Cu72 N72 O504 -","3","0.166667","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.1442","0.0857","","","0.1988","0.2186","","","","","","1.0203","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4125168","27.571","0.004","27.571","0.004","35.456","0.005","90","","90","","90","","26952","7","100","","100","","","","","","","","","3","I 4/m","-I 4","87","","","","- C200 Cu24 O145 -","- C200 Cu24 O145 -","- C400 Cu48 O290 -","2","0.125","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.0911","0.0661","","","0.1831","0.1935","","","","","","0.9157","","","","has coordinates","187897","2020-10-21","18:00:00",""
"4125169","9.5544","0.0015","11.6505","0.0019","12.0027","0.0019","72.481","0.002","69.051","0.002","73.391","0.002","1165.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H21 N2 P S -","- C30 H21 N2 P S -","- C60 H42 N4 P2 S2 -","2","1","","Tao, Ye; Xu, Lijia; Zhang, Zhen; Chen, Runfeng; Li, Huanhuan; Xu, Hui; Zheng, Chao; Huang, Wei","Achieving Optimal Self-Adaptivity for Dynamic Tuning of Organic Semiconductors through Resonance Engineering.","Journal of the American Chemical Society","2016","138","30","9655","9662","10.1021/jacs.6b05042","","","0.71073","MoKα","","0.0481","0.0378","","","0.0996","0.1118","","","","","","1.052","","","","has coordinates","187898","2020-10-21","18:00:00",""
"4125170","9.731","0.0006","9.785","0.0007","11.1276","0.0009","95.858","0.006","101.602","0.006","109.696","0.006","960.46","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N P S -","- C24 H18 N P S -","- C48 H36 N2 P2 S2 -","2","1","","Tao, Ye; Xu, Lijia; Zhang, Zhen; Chen, Runfeng; Li, Huanhuan; Xu, Hui; Zheng, Chao; Huang, Wei","Achieving Optimal Self-Adaptivity for Dynamic Tuning of Organic Semiconductors through Resonance Engineering.","Journal of the American Chemical Society","2016","138","30","9655","9662","10.1021/jacs.6b05042","","","0.71073","MoKα","","0.0461","0.0377","","","0.0924","0.1004","","","","","","1.057","","","","has coordinates","187898","2020-10-21","18:00:00",""
"4125171","21.61","0.005","7.777","0.005","16.839","0.005","90","0.005","93.812","0.005","90","0.005","2824","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-3-(5-methoxy-2,2-dimethyl-2,3-dihydro-1H-inden-1-ylidene)pyrrolidin-2-one","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C128 H152 N8 O16 -","8","1","","Paolino, Marco; Gueye, Moussa; Pieri, Elisa; Manathunga, Madushanka; Fusi, Stefania; Cappelli, Andrea; Latterini, Loredana; Pannacci, Danilo; Filatov, Michael; Léonard, Jérémie; Olivucci, Massimo","Design, Synthesis, and Dynamics of a Green Fluorescent Protein Fluorophore Mimic with an Ultrafast Switching Function.","Journal of the American Chemical Society","2016","138","31","9807","9825","10.1021/jacs.5b10812","","","0.71073","MoKα","","0.0646","0.0472","","","0.1164","0.1284","","","","","","1.019","","","","has coordinates","187907","2020-10-21","18:00:00",""
"4125172","7.491","0.001","8.603","0.001","11.623","0.001","71.9","0.01","71.38","0.01","87.8","0.01","673.17","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-3-(5-hydroxy-2,2-dimethyl-2,3-dihydro-1H-inden-1-ylidene)pyrrolidin-2-one","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","","Paolino, Marco; Gueye, Moussa; Pieri, Elisa; Manathunga, Madushanka; Fusi, Stefania; Cappelli, Andrea; Latterini, Loredana; Pannacci, Danilo; Filatov, Michael; Léonard, Jérémie; Olivucci, Massimo","Design, Synthesis, and Dynamics of a Green Fluorescent Protein Fluorophore Mimic with an Ultrafast Switching Function.","Journal of the American Chemical Society","2016","138","31","9807","9825","10.1021/jacs.5b10812","","","0.71073","MoKα","","0.0774","0.0515","","","0.106","0.1244","","","","","","1.017","","","","has coordinates","187907","2020-10-21","18:00:00",""
"4125173","6.3942","0.0005","11.6678","0.0009","24.848","0.002","90","","90","","90","","1853.8","0.3","120","2","119.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","","Chapman, Lauren M.; Beck, Jordan C.; Wu, Linglin; Reisman, Sarah E.","Enantioselective Total Synthesis of (+)-Psiguadial B.","Journal of the American Chemical Society","2016","138","31","9803","9806","10.1021/jacs.6b07229","","","1.54178","CuKα","","0.0294","0.0292","","","0.0782","0.0785","","","","","","1.043","","","","has coordinates","187908","2020-10-21","18:00:00",""
"4125174","12.002","0.002","12.2342","0.0019","15.114","0.003","102.499","0.005","99.728","0.006","92.966","0.006","2126.5","0.6","243","2","243","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H46 N2 O6 -","- C57 H46 N2 O6 -","- C114 H92 N4 O12 -","2","1","","Ip, Ho-Wang; Ng, Chun-Fai; Chow, Hak-Fun; Kuck, Dietmar","Three-Fold Scholl-Type Cycloheptatriene Ring Formation around a Tribenzotriquinacene Core: Toward Warped Graphenes.","Journal of the American Chemical Society","2016","138","42","13778","","10.1021/jacs.6b05820","","","0.71073","MoKα","","0.0972","0.0538","","","0.1165","0.1369","","","","","","1.017","","","","has coordinates","187931","2020-10-21","18:00:00",""
"4125175","5.2753","0.0002","7.7876","0.0003","25.903","0.001","90.414","0.002","95.771","0.002","98.112","0.002","1047.91","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H35 F3 N2 O2 -","- C20 H35 F3 N2 O2 -","- C40 H70 F6 N4 O4 -","2","1","","Nelyubina, Yulia V.; Shaplov, Alexander S.; Lozinskaya, Elena I.; Buzin, Mikhail I.; Vygodskii, Yakov S.","A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.","Journal of the American Chemical Society","2016","138","32","10076","10079","10.1021/jacs.6b05174","","","1.54178","CuKα","","0.0518","0.0476","","","0.1123","0.1156","","","","","","1","","","","has coordinates","187933","2020-10-21","18:00:00",""
"4125176","5.424","0.0001","9.1759","0.0002","23.7616","0.0005","88.7","0.001","83.798","0.001","83.935","0.001","1169.04","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H35 F3 N4 O2 S -","- C20 H35 F3 N4 O2 S -","- C40 H70 F6 N8 O4 S2 -","2","1","","Nelyubina, Yulia V.; Shaplov, Alexander S.; Lozinskaya, Elena I.; Buzin, Mikhail I.; Vygodskii, Yakov S.","A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.","Journal of the American Chemical Society","2016","138","32","10076","10079","10.1021/jacs.6b05174","","","1.54178","CuKα","","0.0352","0.0337","","","0.0944","0.0959","","","","","","1.03","","","","has coordinates","187933","2020-10-21","18:00:00",""
"4125177","8.0522","0.0004","13.2016","0.0007","25.7191","0.0013","75.731","0.005","85.109","0.005","88.052","0.005","2639.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H35 F6 N3 O4 S2 -","- C20 H35 F6 N3 O4 S2 -","- C80 H140 F24 N12 O16 S8 -","4","2","","Nelyubina, Yulia V.; Shaplov, Alexander S.; Lozinskaya, Elena I.; Buzin, Mikhail I.; Vygodskii, Yakov S.","A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.","Journal of the American Chemical Society","2016","138","32","10076","10079","10.1021/jacs.6b05174","","","0.71073","MoKα","","0.1192","0.049","","","0.0738","0.0845","","","","","","1.014","","","","has coordinates","187933","2020-10-21","18:00:00",""
"4125178","8.4858","0.0003","56.257","0.002","8.7349","0.0003","90","","97.052","0.002","90","","4138.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H35 Cl N2 O4 -","- C18 H35 Cl N2 O4 -","- C144 H280 Cl8 N16 O32 -","8","2","","Nelyubina, Yulia V.; Shaplov, Alexander S.; Lozinskaya, Elena I.; Buzin, Mikhail I.; Vygodskii, Yakov S.","A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.","Journal of the American Chemical Society","2016","138","32","10076","10079","10.1021/jacs.6b05174","","","1.54178","CuKα","","0.0611","0.0591","","","0.1731","0.1749","","","","","","1.105","","","","has coordinates","187933","2020-10-21","18:00:00",""
"4125179","5.3155","0.0001","7.3072","0.0002","27.5134","0.0006","87.006","0.0011","85.0705","0.001","73.2054","0.001","1018.87","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H35 N5 -","- C20 H35 N5 -","- C40 H70 N10 -","2","1","","Nelyubina, Yulia V.; Shaplov, Alexander S.; Lozinskaya, Elena I.; Buzin, Mikhail I.; Vygodskii, Yakov S.","A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.","Journal of the American Chemical Society","2016","138","32","10076","10079","10.1021/jacs.6b05174","","","0.71073","MoKα","","0.0575","0.0415","","","0.1097","0.1228","","","","","","1.045","","","","has coordinates","187933","2020-10-21","18:00:00",""
"4125180","9.6318","0.0003","8.3408","0.0003","56.7289","0.0019","90","","92.107","0.002","90","","4554.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H35 F3 N2 O3 S -","- C19 H35 F3 N2 O3 S -","- C152 H280 F24 N16 O24 S8 -","8","2","","Nelyubina, Yulia V.; Shaplov, Alexander S.; Lozinskaya, Elena I.; Buzin, Mikhail I.; Vygodskii, Yakov S.","A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.","Journal of the American Chemical Society","2016","138","32","10076","10079","10.1021/jacs.6b05174","","","0.71073","MoKα","","0.0641","0.0477","","","0.1285","0.1399","","","","","","1.01","","","","has coordinates","187933","2020-10-21","18:00:00",""
"4125181","5.315","0.0007","7.8401","0.0012","24.302","0.004","91.377","0.003","94.775","0.004","98.629","0.004","997","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H37 Br N2 O -","- C18 H37 Br N2 O -","- C36 H74 Br2 N4 O2 -","2","1","","Nelyubina, Yulia V.; Shaplov, Alexander S.; Lozinskaya, Elena I.; Buzin, Mikhail I.; Vygodskii, Yakov S.","A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.","Journal of the American Chemical Society","2016","138","32","10076","10079","10.1021/jacs.6b05174","","","0.71073","MoKα","","0.0552","0.0389","","","0.0789","0.0851","","","","","","1.004","","","","has coordinates","187933","2020-10-21","18:00:00",""
"4125182","19.826","0.004","19.826","0.004","30.613","0.006","90","","90","","90","","12033","4","130","2","130","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C72 H112 I5 K2 O91 -","- C72 H112 I5 K2 O91 -","- C288 H448 I20 K8 O364 -","4","0.5","","Zhou, Hongyao; Yamada, Teppei; Kimizuka, Nobuo","Supramolecular Thermo-Electrochemical Cells: Enhanced Thermoelectric Performance by Host-Guest Complexation and Salt-Induced Crystallization.","Journal of the American Chemical Society","2016","138","33","10502","10507","10.1021/jacs.6b04923","","","0.71075","MoKα","","0.1276","0.0981","","","0.2816","0.3318","","","","","","1.085","","","","has coordinates","187925","2020-10-21","18:00:00",""
"4125183","9.8511","0.0014","16.512","0.003","20.18","0.003","90","","90","","90","","3282.5","0.9","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H48 N2 Si3 -","- C32 H48 N2 Si3 -","- C128 H192 N8 Si12 -","4","1","","Wang, Zhendong; Zhang, Jianying; Li, Jianfeng; Cui, Chunming","NHC-Stabilized Silicon-Carbon Mixed Cumulene.","Journal of the American Chemical Society","2016","138","33","10421","10424","10.1021/jacs.6b06960","","","0.71073","MoKα","","0.0555","0.0399","","","0.1055","0.119","","","","","","0.831","","","","has coordinates","187922","2020-10-21","18:00:00",""
"4125184","9.1735","0.0018","17.478","0.004","18.2","0.004","90","","101.25","0.03","90","","2862","1.1","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H47 Cl N2 Si4 -","- C21 H47 Cl N2 Si4 -","- C84 H188 Cl4 N8 Si16 -","4","1","","Wang, Zhendong; Zhang, Jianying; Li, Jianfeng; Cui, Chunming","NHC-Stabilized Silicon-Carbon Mixed Cumulene.","Journal of the American Chemical Society","2016","138","33","10421","10424","10.1021/jacs.6b06960","","","0.71073","MoKα","","0.1078","0.0683","","","0.1614","0.1816","","","","","","1.011","","","","has coordinates","187922","2020-10-21","18:00:00",""
"4125185","7.5669","0.0001","14.1761","0.0002","15.2272","0.0002","90","","90","","90","","1633.41","0.04","130","2","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Wang, Jie; Chen, Mu-Wang; Ji, Yue; Hu, Shu-Bo; Zhou, Yong-Gui","Kinetic Resolution of Axially Chiral 5- or 8-Substituted Quinolines via Asymmetric Transfer Hydrogenation.","Journal of the American Chemical Society","2016","138","33","10413","10416","10.1021/jacs.6b06009","","","1.54178","CuKα","","0.0318","0.0313","","","0.0805","0.0811","","","","","","1.064","","","","has coordinates","187924","2020-10-21","18:00:00",""
"4125186","7.3982","0.0009","7.3861","0.001","27.199","0.003","90","","90","","90","","1486.3","0.3","293","","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 N -","- C20 H15 N -","- C80 H60 N4 -","4","1","","Wang, Jie; Chen, Mu-Wang; Ji, Yue; Hu, Shu-Bo; Zhou, Yong-Gui","Kinetic Resolution of Axially Chiral 5- or 8-Substituted Quinolines via Asymmetric Transfer Hydrogenation.","Journal of the American Chemical Society","2016","138","33","10413","10416","10.1021/jacs.6b06009","","","1.54178","CuKα","","0.0845","0.0785","","","0.2337","0.2459","","","","","","1.114","","","","has coordinates","187924","2020-10-21","18:00:00",""
"4125187","12","0.003","12","0.003","13.147","0.004","90","","90","","120","","1639.5","0.8","200","2","200","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ca6 N2 Te3 -","- Ca6 N2 Te3 -","- Ca36 N12 Te18 -","6","0.166667","","Dickman, Matthew J.; Latturner, Susan E.","Metal nitrides grown from Ca/Li flux: Ca6Te3N2 and new nitridoferrate(I) Ca6(LixFe1-x)Te2N3.","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b06024","","","0.71073","MoKα","","0.012","0.0111","","","0.0246","0.0249","","","","","","1.091","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4125188","8.718","0.003","8.718","0.003","6.719","0.002","90","","90","","90","","510.7","0.3","130","2","130","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- Ca6 Fe0.52 Li0.48 N3 Te2 -","- Ca6 Fe0.526 Li0.474 N3 Te2 -","- Ca12 Fe1.052 Li0.948 N6 Te4 -","2","0.25","","Dickman, Matthew J.; Latturner, Susan E.","Metal nitrides grown from Ca/Li flux: Ca6Te3N2 and new nitridoferrate(I) Ca6(LixFe1-x)Te2N3.","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b06024","","","0.71073","MoKα","","0.0196","0.0194","","","0.0495","0.0498","","","","","","1.4","","","","has coordinates","185831","2020-10-21","18:00:00",""
"4125189","14.5078","0.0006","17.5364","0.0008","10.1577","0.0004","90","","90","","90","","2584.27","0.19","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H36 B10 O4 P2 Ru -","- C16 H36 B10 O4 P2 Ru -","- C64 H144 B40 O16 P8 Ru4 -","4","0.5","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","(BB)-Carboryne Complex of Ruthenium: Synthesis by Double B-H Activation at a Single Metal Center.","Journal of the American Chemical Society","2016","138","33","10531","10538","10.1021/jacs.6b05172","","x-ray","0.71073","MoKα","","0.0487","0.03","","","0.0576","0.0626","","","","","","1.037","","","","has coordinates","187923","2020-10-21","18:00:00",""
"4125190","11.9543","0.0005","14.3559","0.0006","16.4299","0.0007","90","","90","","90","","2819.6","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H37 B10 Cl O4 P2 Ru -","- C16 H37 B10 Cl O4 P2 Ru -","- C64 H148 B40 Cl4 O16 P8 Ru4 -","4","1","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","(BB)-Carboryne Complex of Ruthenium: Synthesis by Double B-H Activation at a Single Metal Center.","Journal of the American Chemical Society","2016","138","33","10531","10538","10.1021/jacs.6b05172","","x-ray","0.71073","MoKα","","0.0279","0.0222","","","0.0411","0.0425","","","","","","1.026","","","","has coordinates","187923","2020-10-21","18:00:00",""
"4125191","18.6818","0.0008","8.9257","0.0003","19.5607","0.0008","90","","91.606","0.0014","90","","3260.4","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H42 B10 O6 P2 Ru -","- C21 H42 B10 O6 P2 Ru -","- C84 H168 B40 O24 P8 Ru4 -","4","1","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","(BB)-Carboryne Complex of Ruthenium: Synthesis by Double B-H Activation at a Single Metal Center.","Journal of the American Chemical Society","2016","138","33","10531","10538","10.1021/jacs.6b05172","","x-ray","0.71073","MoKα","","0.0674","0.0389","","","0.0722","0.0812","","","","","","1.018","","","","has coordinates,has disorder","187923","2020-10-21","18:00:00",""
"4125192","15.7357","0.0008","12.9295","0.0007","15.8165","0.0008","90","","103.388","0.002","90","","3130.5","0.3","100","2","100","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C18 H36 B10 D3 I2 O3 P2 Ru -","- C18 H36 B10 D3 I2 O3 P2 Ru -","- C72 H144 B40 D12 I8 O12 P8 Ru4 -","4","0.5","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","(BB)-Carboryne Complex of Ruthenium: Synthesis by Double B-H Activation at a Single Metal Center.","Journal of the American Chemical Society","2016","138","33","10531","10538","10.1021/jacs.6b05172","","x-ray","0.71073","MoKα","","0.0241","0.0188","","","0.0452","0.0472","","","","","","1.04","","","","has coordinates,has disorder","187923","2020-10-21","18:00:00",""
"4125193","10.908","0.0006","13.3367","0.0007","21.9824","0.0011","90","","99.305","0.002","90","","3155.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H46 B10 O4 P2 Ru -","- C22 H46 B10 O4 P2 Ru -","- C88 H184 B40 O16 P8 Ru4 -","4","1","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","(BB)-Carboryne Complex of Ruthenium: Synthesis by Double B-H Activation at a Single Metal Center.","Journal of the American Chemical Society","2016","138","33","10531","10538","10.1021/jacs.6b05172","","x-ray","0.71073","MoKα","","0.0536","0.0364","","","0.0726","0.0775","","","","","","1.069","","","","has coordinates","187923","2020-10-21","18:00:00",""
"4125194","9.2907","0.0005","14.0608","0.0007","20.6883","0.0012","90","","94.379","0.002","90","","2694.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H39 B11 O4 P2 Ru -","- C16 H39 B11 O4 P2 Ru -","- C64 H156 B44 O16 P8 Ru4 -","4","1","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","(BB)-Carboryne Complex of Ruthenium: Synthesis by Double B-H Activation at a Single Metal Center.","Journal of the American Chemical Society","2016","138","33","10531","10538","10.1021/jacs.6b05172","","x-ray","0.71073","MoKα","","0.0198","0.0161","","","0.0405","0.0415","","","","","","1.075","","","","has coordinates","187923","2020-10-21","18:00:00",""
"4125195","11.97","0.002","12.297","0.002","17.763","0.003","80.063","0.005","76.452","0.005","82.123","0.006","2491","0.7","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C34 H54 B Li N4 O -","- C34 H54 B Li N4 O -","- C102 H162 B3 Li3 N12 O3 -","3","3","","Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas P.; Okuda, Jun","Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M = Li, Na, K): Chemoselective Catalysts for Carbonyl and CO2 Hydroboration.","Journal of the American Chemical Society","2016","138","34","10790","10793","10.1021/jacs.6b06319","","","0.71073","MoKα","","0.1638","0.0873","","","0.1739","0.2179","","","","","","1.016","","","","has coordinates,has disorder","187921","2020-10-21","18:00:00",""
"4125196","16.436","0.007","10.063","0.004","18","0.008","90","","91.481","0.008","90","","2976","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 B K N4 -","- C30 H46 B K N4 -","- C120 H184 B4 K4 N16 -","4","1","","Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas P.; Okuda, Jun","Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M = Li, Na, K): Chemoselective Catalysts for Carbonyl and CO2 Hydroboration.","Journal of the American Chemical Society","2016","138","34","10790","10793","10.1021/jacs.6b06319","","","0.71073","MoKα","","0.1156","0.0747","","","0.163","0.1813","","","","","","1.073","","","","has coordinates","187921","2020-10-21","18:00:00",""
"4125197","11.66","0.005","11.66","0.005","13.306","0.005","90","","90","","120","","1566.7","1.1","110","2","110","2","","","","","","","","6","P -3","-P 3","147","","","","- C31 H46 B Li N4 O2 -","- C30.9999 H45.9999 B Li N4 O1.9998 -","- C61.9998 H91.9998 B2 Li2 N8 O3.9996 -","2","0.333333","","Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas P.; Okuda, Jun","Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M = Li, Na, K): Chemoselective Catalysts for Carbonyl and CO2 Hydroboration.","Journal of the American Chemical Society","2016","138","34","10790","10793","10.1021/jacs.6b06319","","","0.71073","MoKα","","0.1271","0.0755","","","0.191","0.2199","","","","","","1.074","","","","has coordinates","187921","2020-10-21","18:00:00",""
"4125198","13.3224","0.0013","17.05","0.0017","17.6861","0.0018","99.8463","0.0017","111.99","0.0017","112.862","0.0016","3188.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H46 B N4 Na O2 -","- C31 H46 B N4 Na O2 -","- C124 H184 B4 N16 Na4 O8 -","4","2","","Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas P.; Okuda, Jun","Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M = Li, Na, K): Chemoselective Catalysts for Carbonyl and CO2 Hydroboration.","Journal of the American Chemical Society","2016","138","34","10790","10793","10.1021/jacs.6b06319","","","0.71073","MoKα","","0.1111","0.0732","","","0.1892","0.2145","","","","","","1.074","","","","has coordinates,has disorder","187921","2020-10-21","18:00:00",""
"4125199","9.57","0.002","19.486","0.004","17.762","0.004","90","","102.244","0.004","90","","3236.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 B K N4 O2 -","- C31 H46 B K N4 O2 -","- C124 H184 B4 K4 N16 O8 -","4","1","","Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas P.; Okuda, Jun","Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M = Li, Na, K): Chemoselective Catalysts for Carbonyl and CO2 Hydroboration.","Journal of the American Chemical Society","2016","138","34","10790","10793","10.1021/jacs.6b06319","","","0.71073","MoKα","","0.1024","0.0585","","","0.1218","0.141","","","","","","1.037","","","","has coordinates","187921","2020-10-21","18:00:00",""
"4125200","12.8244","0.0009","12.9947","0.0009","24.5725","0.0017","90","","90","","90","","4095","0.5","90","0.2","90","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H42 Co2 O4 P2 S Si -","- C43 H42 Co2 O4 P2 S Si -","- C172 H168 Co8 O16 P8 S4 Si4 -","4","1","","Terada, Masahiro; Ota, Yusuke; Li, Feng; Toda, Yasunori; Kondoh, Azusa","Enantioconvergent Nucleophilic Substitution Reaction of Racemic Alkyne-Dicobalt Complex (Nicholas Reaction) Catalyzed by Chiral Brønsted Acid.","Journal of the American Chemical Society","2016","138","34","11038","11043","10.1021/jacs.6b05948","","","1.54178","CuKα","","0.0362","0.0356","","","0.1085","0.1096","","","","","","0.985","","","","has coordinates","187920","2020-10-21","18:00:00",""
"4125201","16.638","0.0007","5.481","0.0003","33.4803","0.0015","90","","90","","90","","3053.2","0.3","125","","125","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H15 F3 -","- C21 H15 F3 -","- C168 H120 F24 -","8","2","","Toriyama, Fumihiko; Cornella, Josep; Wimmer, Laurin; Chen, Tie-Gen; Dixon, Darryl D.; Creech, Gardner; Baran, Phil S.","Redox-Active Esters in Fe-Catalyzed C-C Coupling.","Journal of the American Chemical Society","2016","138","35","11132","11135","10.1021/jacs.6b07172","","x-ray","1.54178","CuKα","","0.0572","0.0481","","","0.1186","0.1244","","","","","","1.05","","","","has coordinates","187894","2020-10-21","18:00:00",""
"4125202","17.8244","0.0005","7.5148","0.0002","22.276","0.0006","90","","99.79","0.002","90","","2940.35","0.14","100","2","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 O -","- C21 H18 O -","- C168 H144 O8 -","8","1","","Toriyama, Fumihiko; Cornella, Josep; Wimmer, Laurin; Chen, Tie-Gen; Dixon, Darryl D.; Creech, Gardner; Baran, Phil S.","Redox-Active Esters in Fe-Catalyzed C-C Coupling.","Journal of the American Chemical Society","2016","138","35","11132","11135","10.1021/jacs.6b07172","","x-ray","1.54178","CuKα","","0.0425","0.0392","","","0.1052","0.1081","","","","","","1.055","","","","has coordinates","187894","2020-10-21","18:00:00",""
"4125203","18.758","0.003","5.7669","0.0008","13.563","0.002","90","","110.826","0.004","90","","1371.3","0.4","100","2","100","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C19 H20 O -","- C19 H20 O -","- C76 H80 O4 -","4","1","","Toriyama, Fumihiko; Cornella, Josep; Wimmer, Laurin; Chen, Tie-Gen; Dixon, Darryl D.; Creech, Gardner; Baran, Phil S.","Redox-Active Esters in Fe-Catalyzed C-C Coupling.","Journal of the American Chemical Society","2016","138","35","11132","11135","10.1021/jacs.6b07172","","x-ray","0.71073","MoKα","","0.0909","0.0819","","","0.2146","0.2226","","","","","","1.089","","","","has coordinates,has disorder","187894","2020-10-21","18:00:00",""
"4125204","13.9066","0.0004","18.4465","0.0005","20.5506","0.0014","89.068","0.006","71.963","0.005","81.667","0.006","4957.5","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C105 H141 Fe3 K N10 O6 -","- C105 H141 Fe3 K N10 O6 -","- C210 H282 Fe6 K2 N20 O12 -","2","1","","MacLeod, K. Cory; Menges, Fabian S.; McWilliams, Sean F.; Craig, Stephanie M.; Mercado, Brandon Q.; Johnson, Mark A.; Holland, Patrick L.","Alkali-Controlled C-H Cleavage or N-C Bond Formation by N2-Derived Iron Nitrides and Imides.","Journal of the American Chemical Society","2016","138","35","11185","11191","10.1021/jacs.6b04984","","","1.54187","CuKα","","0.3108","0.0684","","","0.1024","0.1609","","","","","","0.68","","","","has coordinates,has disorder","187895","2020-10-21","18:00:00",""
"4125205","13.6536","0.001","18.9103","0.0013","25.4722","0.0018","90","","101.305","0.003","90","","6449.2","0.8","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H94 Fe3 N8 O -","- C71 H94 Fe3 N8 O -","- C284 H376 Fe12 N32 O4 -","4","1","","MacLeod, K. Cory; Menges, Fabian S.; McWilliams, Sean F.; Craig, Stephanie M.; Mercado, Brandon Q.; Johnson, Mark A.; Holland, Patrick L.","Alkali-Controlled C-H Cleavage or N-C Bond Formation by N2-Derived Iron Nitrides and Imides.","Journal of the American Chemical Society","2016","138","35","11185","11191","10.1021/jacs.6b04984","","","0.71073","MoKα","","0.0833","0.0466","","","0.1016","0.1228","","","","","","1.089","","","","has coordinates","187895","2020-10-21","18:00:00",""
"4125206","11.7403","0.0002","13.7572","0.0003","21.6519","0.0015","97.973","0.007","92.876","0.007","107.661","0.008","3284.2","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H81 Fe3 N8 -","- C66 H81 Fe3 N8 -","- C132 H162 Fe6 N16 -","2","1","","MacLeod, K. Cory; Menges, Fabian S.; McWilliams, Sean F.; Craig, Stephanie M.; Mercado, Brandon Q.; Johnson, Mark A.; Holland, Patrick L.","Alkali-Controlled C-H Cleavage or N-C Bond Formation by N2-Derived Iron Nitrides and Imides.","Journal of the American Chemical Society","2016","138","35","11185","11191","10.1021/jacs.6b04984","","","1.54187","CuKα","","0.0898","0.0763","","","0.2022","0.2139","","","","","","1.088","","","","has coordinates","187895","2020-10-21","18:00:00",""
"4125207","13.5997","0.001","18.2403","0.0013","20.2851","0.0014","88.986","0.002","84.849","0.002","85.023","0.002","4992.5","0.6","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H122 Fe3 K N8 O8 -","- C86 H122 Fe3 K N8 O8 -","- C172 H244 Fe6 K2 N16 O16 -","2","1","","MacLeod, K. Cory; Menges, Fabian S.; McWilliams, Sean F.; Craig, Stephanie M.; Mercado, Brandon Q.; Johnson, Mark A.; Holland, Patrick L.","Alkali-Controlled C-H Cleavage or N-C Bond Formation by N2-Derived Iron Nitrides and Imides.","Journal of the American Chemical Society","2016","138","35","11185","11191","10.1021/jacs.6b04984","","","1.54178","CuKα","","0.1941","0.098","","","0.2278","0.2863","","","","","","1.023","","","","has coordinates,has disorder","187895","2020-10-21","18:00:00",""
"4125208","27.2669","0.0019","18.0306","0.0004","20.0074","0.0004","90","","95.201","0.007","90","","9795.9","0.8","93","2","93","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C78 H107 Fe3 K N8 O6 -","- C78 H107 Fe3 K N8 O6 -","- C312 H428 Fe12 K4 N32 O24 -","4","1","","MacLeod, K. Cory; Menges, Fabian S.; McWilliams, Sean F.; Craig, Stephanie M.; Mercado, Brandon Q.; Johnson, Mark A.; Holland, Patrick L.","Alkali-Controlled C-H Cleavage or N-C Bond Formation by N2-Derived Iron Nitrides and Imides.","Journal of the American Chemical Society","2016","138","35","11185","11191","10.1021/jacs.6b04984","","","1.54187","CuKα","","0.0744","0.0435","","","0.0709","0.0791","","","","","","0.889","","","","has coordinates","187895","2020-10-21","18:00:00",""
"4125209","12.6555","0.0007","15.1068","0.0009","16.1136","0.0009","85.1546","0.0012","88.2286","0.0013","75.2419","0.0012","2968.2","0.3","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","eishl02","","","- C56 H88 Fe2 N2 S8 -","- C56 H88 Fe2 N2 S8 -","- C112 H176 Fe4 N4 S16 -","2","1","","Lv, Hongjin; Ruberu, T Purnima A; Fleischauer, Valerie E.; Brennessel, William W.; Neidig, Michael L.; Eisenberg, Richard","Catalytic Light-Driven Generation of Hydrogen from Water by Iron Dithiolene Complexes.","Journal of the American Chemical Society","2016","138","36","11654","11663","10.1021/jacs.6b05040","","","0.71073","MoKα","","0.1","0.0551","","","0.1174","0.1373","","","","","","0.932","","","","has coordinates","187900","2020-10-21","18:00:00",""
"4125210","34.115","0.002","34.115","0.002","15.1763","0.0009","90","","90","","120","","15296.3","1.6","100","0.5","100","0.5","","","","","","","","5","R -3 :H","-R 3","148","eishl03","","","- C60 H96 Fe2 N2 S8 -","- C60 H96 Fe2 N2 S8 -","- C540 H864 Fe18 N18 S72 -","9","0.5","","Lv, Hongjin; Ruberu, T Purnima A; Fleischauer, Valerie E.; Brennessel, William W.; Neidig, Michael L.; Eisenberg, Richard","Catalytic Light-Driven Generation of Hydrogen from Water by Iron Dithiolene Complexes.","Journal of the American Chemical Society","2016","138","36","11654","11663","10.1021/jacs.6b05040","","","0.71073","MoKα","","0.1164","0.0588","","","0.146","0.1829","","","","","","1.01","","","","has coordinates,has disorder","187900","2020-10-21","18:00:00",""
"4125211","14.0308","0.0012","16.9507","0.0014","14.2666","0.0012","90","","103.778","0.0018","90","","3295.4","0.5","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","eishl01","","","- C56 H80 Cl8 Fe2 N2 S8 -","- C56 H80 Cl8 Fe2 N2 S8 -","- C112 H160 Cl16 Fe4 N4 S16 -","2","0.5","","Lv, Hongjin; Ruberu, T Purnima A; Fleischauer, Valerie E.; Brennessel, William W.; Neidig, Michael L.; Eisenberg, Richard","Catalytic Light-Driven Generation of Hydrogen from Water by Iron Dithiolene Complexes.","Journal of the American Chemical Society","2016","138","36","11654","11663","10.1021/jacs.6b05040","","","0.71073","MoKα","","0.0793","0.0532","","","0.1338","0.1511","","","","","","1.022","","","","has coordinates","187900","2020-10-21","18:00:00",""
"4125212","13.9394","0.0008","18.7636","0.0011","15.3821","0.0009","90","","115.958","0.0012","90","","3617.3","0.4","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","eishl04","","","- C56 H72 Cl16 Fe2 N2 S8 -","- C56 H72 Cl16 Fe2 N2 S8 -","- C112 H144 Cl32 Fe4 N4 S16 -","2","0.5","","Lv, Hongjin; Ruberu, T Purnima A; Fleischauer, Valerie E.; Brennessel, William W.; Neidig, Michael L.; Eisenberg, Richard","Catalytic Light-Driven Generation of Hydrogen from Water by Iron Dithiolene Complexes.","Journal of the American Chemical Society","2016","138","36","11654","11663","10.1021/jacs.6b05040","","","0.71073","MoKα","","0.0884","0.0574","","","0.1494","0.1732","","","","","","1.034","","","","has coordinates","187900","2020-10-21","18:00:00",""
"4125213","15.7207","0.001","24.401","0.0016","19.1401","0.0013","90","","108.67","0.003","90","","6955.8","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H152 Au Cl4 O76 Rb -","- C84 H152 Au Cl4 O76 Rb -","- C168 H304 Au2 Cl8 O152 Rb2 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0849","0.081","","","0.2185","0.2247","","","","","","1.047","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125214","13.6582","0.0007","13.9202","0.0007","15.6235","0.0009","93.585","0.002","89.976","0.002","118.879","0.0017","2594.4","0.2","100","2","100.01","","","","","","","","","6","P 1","P 1","1","","","","- C72 H130 Au0.75 Cl4 Na O65 -","- C72 H130 Au0.75 Cl4 Na O65 -","- C72 H130 Au0.75 Cl4 Na O65 -","1","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0989","0.0936","","","0.2476","0.2555","","","","","","1.046","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125215","23.7355","0.0011","23.7355","0.0011","22.8031","0.0011","90","","90","","90","","12846.7","1","100","2","99.96","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C288 H504 Au Cl4 O256 Rb2 -","- C288 H504 Au Cl4 O256 Rb2 -","- C288 H504 Au Cl4 O256 Rb2 -","1","0.125","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0755","0.0716","","","0.2132","0.2184","","","","","","1.047","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125216","13.951","0.0005","23.8573","0.001","16.0436","0.0006","90","","96.2619","0.0019","90","","5308","0.4","100","2","100.04","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H130 Au Cl4 O65 Rb -","- C72 H130 Au Cl4 O65 Rb -","- C144 H260 Au2 Cl8 O130 Rb2 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0366","0.0363","","","0.0962","0.0967","","","","","","1.028","","","","has coordinates","187901","2020-10-21","18:00:00",""
"4125217","15.7324","0.0009","24.3405","0.0013","19.2739","0.0012","90","","108.952","0.003","90","","6980.5","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H152 Au0.8 Cl3.2 Na0.8 O76 -","- C84 H152 Au0.8 Cl3.2 Na0.8 O76 -","- C168 H304 Au1.6 Cl6.4 Na1.6 O152 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0475","0.0469","","","0.1276","0.1284","","","","","","1.02","","","","has coordinates","187901","2020-10-21","18:00:00",""
"4125218","23.7683","0.0016","14.1475","0.0009","16.2856","0.0011","90","","90","","90","","5476.2","0.6","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C72 H122 Au Br4 Na O61 -","- C72 H122 Au Br4 Na O61 -","- C144 H244 Au2 Br8 Na2 O122 -","2","0.5","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0553","0.0548","","","0.1535","0.1542","","","","","","1.073","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125219","23.6486","0.0004","23.6486","0.0004","22.7925","0.0005","90","","90","","90","","12746.8","0.4","100","2","99.97","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C144 H264 Au Br4 Na O135 -","- C144 H264 Au0.999 Br4 Na O135 -","- C288 H528 Au1.998 Br8 Na2 O270 -","2","0.25","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0834","0.0613","","","0.1603","0.1688","","","","","","0.937","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125220","23.7386","0.0006","23.7386","0.0006","22.7883","0.0006","90","","90","","90","","12841.7","0.6","100","2","99.95","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C288 H488 Au Br4 O248 Rb2 -","- C288 H488 Au Br4 O248 Rb2.0008 -","- C288 H488 Au Br4 O248 Rb2.0008 -","1","0.125","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0897","0.0758","","","0.2044","0.2172","","","","","","1.009","","","","has coordinates","187901","2020-10-21","18:00:00",""
"4125221","15.8404","0.0004","24.5602","0.0006","19.0823","0.0006","90","","108.399","0.002","90","","7044.3","0.3","100","2","99.95","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H164 Au0.78 Br3.1 O82 Rb0.78 -","- C84 H164 Au0.775 Br3.1 O82 Rb0.775 -","- C168 H328 Au1.55 Br6.2 O164 Rb1.55 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0748","0.069","","","0.1875","0.1938","","","","","","1.064","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125222","23.761","0.012","23.761","0.012","22.836","0.017","90","","90","","90","","12893","13","100","2","100.03","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C288 H480 Au Cl4 Na O241 -","- C288 H480 Au Cl4 Na O241 -","- C288 H480 Au Cl4 Na O241 -","1","0.125","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","0.71073","MoKα","","0.1041","0.081","","","0.2361","0.2521","","","","","","1.043","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125223","16.3326","0.0007","14.2587","0.0006","23.6886","0.0009","90","","90.021","0.002","90","","5516.6","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H139 Au0.89 Br3.76 Cs1.1 O69.5 -","- C72 H139.01 Au0.885 Br3.761 Cs1.102 O69.505 -","- C144 H278.02 Au1.77 Br7.522 Cs2.204 O139.01 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0581","0.058","","","0.1582","0.1583","","","","","","1.033","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125224","16.3791","0.001","14.2585","0.0008","23.6538","0.0013","90","","90.259","0.003","90","","5524.1","0.5","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C74 H142 Au Br4 O69 Rb -","- C74 H142 Au Br4 O69 Rb -","- C148 H284 Au2 Br8 O138 Rb2 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0513","0.0512","","","0.1421","0.1424","","","","","","1.074","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125225","9.3703","0.0004","9.8045","0.0004","17.2896","0.0008","92.27","0.002","92.092","0.002","93.949","0.002","1582.17","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H45 B N2 -","- C42 H45 B N2 -","- C84 H90 B2 N4 -","2","1","","Wang, Xinyang; Zhang, Fan; Schellhammer, Karl Sebastian; Machata, Peter; Ortmann, Frank; Cuniberti, Gianaurelio; Fu, Yubin; Hunger, Jens; Tang, Ruizhi; Popov, Alexey A.; Berger, Reinhard; Müllen, Klaus; Feng, Xinliang","Synthesis of NBN-Type Zigzag-Edged Polycyclic Aromatic Hydrocarbons: 1,9-Diaza-9a-boraphenalene as a Structural Motif.","Journal of the American Chemical Society","2016","138","36","11606","11615","10.1021/jacs.6b04445","","x-ray","0.71073","MoKα","","0.0643","0.045","","","0.1152","0.1244","","","","","","0.95","","","","has coordinates","187902","2020-10-21","18:00:00",""
"4125226","23.6678","0.0015","21.434","0.0013","9.937","0.0006","90","","96.896","0.002","90","","5004.5","0.5","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H37 B N2 -","- C30 H37 B N2 -","- C240 H296 B8 N16 -","8","2","","Wang, Xinyang; Zhang, Fan; Schellhammer, Karl Sebastian; Machata, Peter; Ortmann, Frank; Cuniberti, Gianaurelio; Fu, Yubin; Hunger, Jens; Tang, Ruizhi; Popov, Alexey A.; Berger, Reinhard; Müllen, Klaus; Feng, Xinliang","Synthesis of NBN-Type Zigzag-Edged Polycyclic Aromatic Hydrocarbons: 1,9-Diaza-9a-boraphenalene as a Structural Motif.","Journal of the American Chemical Society","2016","138","36","11606","11615","10.1021/jacs.6b04445","","","0.71073","MoKα","","0.0884","0.0395","","","0.0648","0.0747","","","","","","0.836","","","","has coordinates","187902","2020-10-21","18:00:00",""
"4125227","27.373","0.002","27.373","0.002","18.5827","0.0017","90","","90","","90","","13923.7","1.9","100","2","100","2","","","","","","","","5","I 4 m m","I 4 -2","107","mer-MeMeCH2@ZIF-10-xDMF","mer-MeMeCH2@Zn16Im32-xDMF","","- C247 H395 N101 O45 Zn16 -","- C136 H136 N64 O8 Zn16 -","- C272 H272 N128 O16 Zn32 -","2","0.125","","Ramirez, Joseph R.; Yang, Haiyang; Kane, Christopher M.; Ley, Amanda N.; Holman, K. Travis","Reproducible Synthesis and High Porosity of mer-Zn(Im)2 (ZIF-10): Exploitation of an Apparent Double-Eight Ring Template.","Journal of the American Chemical Society","2016","138","37","12017","12020","10.1021/jacs.6b06375","","","0.71073","MoKα","","0.1159","0.0582","","","0.1701","0.1952","","","","","","0.992","","","","has coordinates,has disorder","187919","2020-10-21","18:00:00",""
"4125228","8.1727","0.0003","12.9877","0.0005","19.1341","0.0007","90","","90","","90","","2030.98","0.13","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N O -","- C25 H29 N O -","- C100 H116 N4 O4 -","4","1","","Zhou, Qi; Cobb, Kelsey M.; Tan, Tianyu; Watson, Mary P.","Stereospecific Cross Couplings To Set Benzylic, All-Carbon Quaternary Stereocenters in High Enantiopurity.","Journal of the American Chemical Society","2016","138","37","12057","12060","10.1021/jacs.6b08075","","","1.54178","CuKα","","0.0544","0.0492","","","0.1479","0.155","","","","","","1.171","","","","has coordinates","187918","2020-10-21","18:00:00",""
"4125229","21.7695","0.0007","5.8807","0.0002","10.4637","0.0003","90","","97.282","0.002","90","","1328.76","0.07","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C64 H72 O8 -","4","1","","Zhou, Qi; Cobb, Kelsey M.; Tan, Tianyu; Watson, Mary P.","Stereospecific Cross Couplings To Set Benzylic, All-Carbon Quaternary Stereocenters in High Enantiopurity.","Journal of the American Chemical Society","2016","138","37","12057","12060","10.1021/jacs.6b08075","","","1.54178","CuKα","","0.0359","0.0349","","","0.0937","0.0948","","","","","","1.035","","","","has coordinates","187918","2020-10-21","18:00:00",""
"4125230","19.756","0.009","11.388","0.005","8.946","0.004","90","","90","","90","","2012.7","1.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H22 Cl2 N2 O4 -","- C20 H22 Cl2 N2 O4 -","- C80 H88 Cl8 N8 O16 -","4","1","","Yao, Zi-Shuo; Yamamoto, Kaoru; Cai, Hong-Ling; Takahashi, Kazuyuki; Sato, Osamu","Above Room Temperature Organic Ferroelectrics: Diprotonated 1,4-Diazabicyclo[2.2.2]octane Shifts between Two 2-Chlorobenzoates.","Journal of the American Chemical Society","2016","138","37","12005","12008","10.1021/jacs.6b03747","","","0.71075","MoKα","","0.0485","0.043","","","0.1248","0.1336","","","","","","0.942","","","","has coordinates","187917","2020-10-21","18:00:00",""
"4125231","9.086","0.006","11.473","0.008","19.916","0.013","90","","90","","90","","2076","2","343","2","343","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Cl2 D2 N2 O4 -","- C20 H20 Cl2 D2 N2 O4 -","- C80 H80 Cl8 D8 N8 O16 -","4","0.5","","Yao, Zi-Shuo; Yamamoto, Kaoru; Cai, Hong-Ling; Takahashi, Kazuyuki; Sato, Osamu","Above Room Temperature Organic Ferroelectrics: Diprotonated 1,4-Diazabicyclo[2.2.2]octane Shifts between Two 2-Chlorobenzoates.","Journal of the American Chemical Society","2016","138","37","12005","12008","10.1021/jacs.6b03747","","","0.71075","MoKα","","0.1325","0.0589","","","0.145","0.1804","","","","","","0.822","","","","has coordinates,has disorder","187917","2020-10-21","18:00:00",""
"4125232","19.787","0.009","11.403","0.005","8.953","0.004","90","","90","","90","","2020.1","1.6","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H20 Cl2 D2 N2 O4 -","- C20 H20 Cl2 D2 N2 O4 -","- C80 H80 Cl8 D8 N8 O16 -","4","1","","Yao, Zi-Shuo; Yamamoto, Kaoru; Cai, Hong-Ling; Takahashi, Kazuyuki; Sato, Osamu","Above Room Temperature Organic Ferroelectrics: Diprotonated 1,4-Diazabicyclo[2.2.2]octane Shifts between Two 2-Chlorobenzoates.","Journal of the American Chemical Society","2016","138","37","12005","12008","10.1021/jacs.6b03747","","","0.71073","MoKα","","0.0597","0.0443","","","0.1053","0.1138","","","","","","0.893","","","","has coordinates","187917","2020-10-21","18:00:00",""
"4125233","19.745","0.005","11.357","0.003","8.896","0.0019","90","","90","","90","","1994.9","0.8","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H22 Cl2 N2 O4 -","- C20 H22 Cl2 N2 O4 -","- C80 H88 Cl8 N8 O16 -","4","1","","Yao, Zi-Shuo; Yamamoto, Kaoru; Cai, Hong-Ling; Takahashi, Kazuyuki; Sato, Osamu","Above Room Temperature Organic Ferroelectrics: Diprotonated 1,4-Diazabicyclo[2.2.2]octane Shifts between Two 2-Chlorobenzoates.","Journal of the American Chemical Society","2016","138","37","12005","12008","10.1021/jacs.6b03747","","","0.71075","MoKα","","0.0327","0.0325","","","0.105","0.1059","","","","","","1.005","","","","has coordinates","187917","2020-10-21","18:00:00",""
"4125234","9.083","0.007","11.433","0.009","19.797","0.018","90","","90","","90","","2056","3","338","2","338","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 Cl2 N2 O4 -","- C20 H22 Cl2 N2 O4 -","- C80 H88 Cl8 N8 O16 -","4","0.5","","Yao, Zi-Shuo; Yamamoto, Kaoru; Cai, Hong-Ling; Takahashi, Kazuyuki; Sato, Osamu","Above Room Temperature Organic Ferroelectrics: Diprotonated 1,4-Diazabicyclo[2.2.2]octane Shifts between Two 2-Chlorobenzoates.","Journal of the American Chemical Society","2016","138","37","12005","12008","10.1021/jacs.6b03747","","","0.71075","MoKα","","0.1198","0.0701","","","0.1754","0.2032","","","","","","1.13","","","","has coordinates,has disorder","187917","2020-10-21","18:00:00",""
"4125235","17.5558","0.001","7.0307","0.0004","17.5147","0.0009","90","","106.484","0.006","90","","2073","0.2","293.15","","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N4 -","- C12 H10 N4 -","- C96 H80 N32 -","8","2","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","","0.7107","MoKα","","0.0863","0.0577","","","0.1307","0.1441","","","","","","1.116","","","","has coordinates","187893","2020-10-21","18:00:00",""
"4125236","15.0395","0.0016","7.5585","0.0007","35.865","0.004","90","","101.24","0.01","90","","3998.8","0.7","143.05","0.1","143.05","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H21 Cl3 F12 N8 -","- C39 H21 Cl3 F12 N8 -","- C156 H84 Cl12 F48 N32 -","4","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","x-ray","0.71073","MoKα","","0.1331","0.0853","","","0.2497","0.2992","","","","","","1.093","","","","has coordinates,has disorder","187893","2020-10-21","18:00:00",""
"4125237","33.375","0.003","8.0465","0.0005","32.417","0.004","90","","115.826","0.013","90","","7836.1","1.6","293","2","293.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H20.03 N6 -","- C23 H20.036 N6 -","- C368 H320.576 N96 -","16","2","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","x-ray","0.71073","MoKα","","0.1042","0.0602","","","0.1454","0.1759","","","","","","1.019","","","","has coordinates,has disorder","187893","2020-10-21","18:00:00",""
"4125238","20.468","0.002","7.5319","0.0007","27.491","0.003","90","","101.425","0.009","90","","4154.1","0.7","143","0.1","143","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H25 Cl3 F12 N8 -","- C41 H25 Cl3 F12 N8 -","- C164 H100 Cl12 F48 N32 -","4","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","x-ray","0.71073","MoKα","","0.1193","0.0727","","","0.207","0.2446","","","","","","1.07","","","","has coordinates,has disorder","187893","2020-10-21","18:00:00",""
"4125239","13.35","0.0003","10.0002","0.0002","27.9606","0.0007","90","","98.304","0.002","90","","3693.68","0.15","293.15","","293.15","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C20 H12 F6 N4 -","- C20 H12 F6 N4 -","- C160 H96 F48 N32 -","8","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","x-ray","1.54184","CuKα","","0.0919","0.0837","","","0.2462","0.2585","","","","","","1.086","","","","has coordinates,has disorder","187893","2020-10-21","18:00:00",""
"4125240","7.6508","0.0004","8.3307","0.0004","13.624","0.0006","100.727","0.004","99.114","0.004","98.267","0.004","828.86","0.07","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 Cl N5 -","- C19 H16 Cl N5 -","- C38 H32 Cl2 N10 -","2","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","x-ray","1.54184","CuKα","","0.0603","0.0549","","","0.1463","0.1554","","","","","","1.049","","","","has coordinates","187893","2020-10-21","18:00:00",""
"4125241","7.4714","0.0005","9.4834","0.0004","15.0286","0.0009","77.253","0.004","76.24","0.005","83.065","0.004","1006.17","0.1","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 F6 N5 -","- C21 H15 F6 N5 -","- C42 H30 F12 N10 -","2","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","","0.71073","MoKα","","0.1016","0.0678","","","0.1693","0.1962","","","","","","1.049","","","","has coordinates,has disorder","187893","2020-10-21","18:00:00",""
"4125242","7.8375","0.0003","14.804","0.0005","18.762","0.0006","76.578","0.003","86.891","0.003","87.608","0.003","2113.36","0.13","143","0.1","143","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C43 H32 Cl2 F12 N10 -","- C43 H32 Cl2 F12 N10 -","- C86 H64 Cl4 F24 N20 -","2","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","","0.71073","MoKα","","0.0978","0.0625","","","0.1386","0.1609","","","","","","1.031","","","","has coordinates,has disorder","187893","2020-10-21","18:00:00",""
"4125243","7.6566","0.0006","30.6548","0.0015","7.8558","0.0006","90","","115.192","0.009","90","","1668.5","0.2","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N6 -","- C20 H16 N6 -","- C80 H64 N24 -","4","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","x-ray","1.54184","CuKα","","0.0667","0.0603","","","0.1674","0.1783","","","","","","1.026","","","","has coordinates","187893","2020-10-21","18:00:00",""
"4125244","7.0493","0.0004","9.2417","0.0008","15.1514","0.0011","94.912","0.007","103.007","0.006","111.772","0.007","877.41","0.13","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H10 F6 N4 -","- C19 H10 F6 N4 -","- C38 H20 F12 N8 -","2","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","","0.71073","MoKα","","0.1084","0.0703","","","0.1716","0.2125","","","","","","1.036","","","","has coordinates,has disorder","187893","2020-10-21","18:00:00",""
"4125245","6.3116","0.0003","19.0781","0.0012","9.8328","0.0006","90","","99.199","0.005","90","","1168.77","0.12","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N4 -","- C13 H13 N5 -","- C52 H52 N20 -","4","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","","0.71073","MoKα","","0.0685","0.047","","","0.1092","0.1236","","","","","","1.031","","","","has coordinates","187893","2020-10-21","18:00:00",""
"4125246","13.4857","0.0006","8.272","0.0004","19.9081","0.0008","90","","101.058","0.004","90","","2179.59","0.17","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C46 H58 Mg2 N4 -","- C46 H58 Mg2 N4 -","- C92 H116 Mg4 N8 -","2","0.5","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","1.54184","CuKα","","0.0792","0.0502","","","0.1243","0.1472","","","","","","1","","","","has coordinates","187891","2020-10-21","18:00:00",""
"4125247","12.8601","0.0011","15.9403","0.0014","18.1538","0.0013","84.244","0.007","89.38","0.006","88.675","0.007","3701.5","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H49 F5 Mg N2 O -","- C39 H49 F5 Mg N2 O -","- C156 H196 F20 Mg4 N8 O4 -","4","2","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","1.54184","CuKα","","0.1694","0.0715","","","0.1904","0.2208","","","","","","0.813","","","","has coordinates,has disorder","187891","2020-10-21","18:00:00",""
"4125248","14.9886","0.0004","14.8728","0.0004","36.1312","0.0009","90","","98.802","0.003","90","","7959.6","0.4","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C40 H49 F7 Mg N2 O -","- C40 H49 F7 Mg N2 O -","- C320 H392 F56 Mg8 N16 O8 -","8","1","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","0.71073","MoKα","","0.0799","0.0555","","","0.131","0.1456","","","","","","1.042","","","","has coordinates,has disorder","187891","2020-10-21","18:00:00",""
"4125249","34.4121","0.0008","14.8141","0.0003","14.8714","0.0004","90","","100.005","0.002","90","","7465.9","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H49 F4 Mg N3 O -","- C38 H49 F4 Mg N3 O -","- C304 H392 F32 Mg8 N24 O8 -","8","1","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","0.71073","MoKα","","0.0707","0.0485","","","0.1181","0.1317","","","","","","1.016","","","","has coordinates","187891","2020-10-21","18:00:00",""
"4125250","31.6147","0.0004","16.0108","0.0002","15.04066","0.00019","90","","101.334","0.0012","90","","7464.76","0.17","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H45 F4 Mg N3 -","- C40 H45 F4 Mg N3 -","- C320 H360 F32 Mg8 N24 -","8","1","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","1.54184","CuKα","","0.0468","0.0387","","","0.1026","0.1083","","","","","","1.036","","","","has coordinates","187891","2020-10-21","18:00:00",""
"4125251","18.253","0.0006","13.8247","0.0003","21.1714","0.0006","90","","110.993","0.003","90","","4987.8","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H70 Mg2 N4 -","- C52 H70 Mg2 N4 -","- C208 H280 Mg8 N16 -","4","0.5","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","1.54184","CuKα","","0.0548","0.0458","","","0.1293","0.1363","","","","","","1.031","","","","has coordinates","187891","2020-10-21","18:00:00",""
"4125252","11.9516","0.0005","18.2934","0.0007","15.7645","0.0006","90","","99.934","0.004","90","","3395","0.2","173","2","173","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C72 H112 F2 Mg2 N4 O2 -","- C71 H112 F2 Mg2 N4 O2 -","- C142 H224 F4 Mg4 N8 O4 -","2","0.25","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","0.71073","MoKα","","0.0659","0.0467","","","0.1066","0.1171","","","","","","1.033","","","","has coordinates,has disorder","209173","2020-10-21","18:00:00",""
"4125253","9.5297","0.0005","9.8101","0.0007","9.8488","0.0006","79.725","0.002","84.919","0.002","89.558","0.002","902.38","0.1","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C46 H44 N4 O2 -","2","1","","Liu, Zhen; Derosa, Joseph; Engle, Keary M.","Palladium(II)-Catalyzed Regioselective syn-Hydroarylation of Disubstituted Alkynes Using a Removable Directing Group.","Journal of the American Chemical Society","2016","138","39","13076","13081","10.1021/jacs.6b08818","","x-ray","0.71073","MoKα","","0.0627","0.0514","","","0.1317","0.141","","","","","","1.054","","","","has coordinates","187892","2020-10-21","18:00:00",""
"4125254","11.004","0.0002","8.344","0.0001","24.0042","0.0004","90","","97.4468","0.0015","90","","2185.41","0.06","150","","150","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C46 H68 F N5 O2 -","- C46 H68 F N5 O2 -","- C92 H136 F2 N10 O4 -","2","0.5","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0537","0.0468","","0.1326","0.1242","0.1326","","","","","","0.9932","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125255","10.9971","0.0002","17.064","0.0004","24.9997","0.0006","90","","92.7108","0.0009","90","","4686.06","0.18","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H56 F13 N5 O2 -","- C46 H56 F12.998 N5 O2 -","- C184 H224 F51.992 N20 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","0.71073","MoKα","","0.1342","0.0831","","0.2353","0.1829","0.2353","","","","","","1.0193","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125256","8.6153","0.0002","14.6367","0.0003","18.1464","0.0005","91.7994","0.0009","103.25","0.001","102.478","0.0008","2166.84","0.09","150","","150","","","","","","","","complexation","5","P -1","-P 1","2","","","","- C42 H56 F N9 O10 -","- C42 H56.002 F N9 O10 -","- C84 H112.004 F2 N18 O20 -","2","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","0.71073","MoKα","","0.079","0.05","","0.1431","0.1158","0.1431","","","","","","0.952","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125257","13.0796","0.0001","15.7385","0.0002","25.2838","0.0003","90","","102.008","0.001","90","","5090.86","0.1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H84 F N5 O2 -","- C54 H84 F N5 O2 -","- C216 H336 F4 N20 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0605","0.0567","","0.1536","0.1498","0.1535","","","","","","0.9897","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125258","24.017","0.0004","14.3831","0.0002","26.8362","0.0004","90","","121.301","0.002","90","","7921","0.3","150","","150","","","","","","","","complexation","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H60 F N5 O2 -","- C42 H60 F N5 O2 -","- C336 H480 F8 N40 O16 -","8","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0503","0.0394","","0.1002","0.0935","0.1002","","","","","","0.9715","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125259","23.8541","0.0002","15.0254","0.0002","25.4496","0.0003","90","","107.328","0.0004","90","","8707.59","0.17","150","","150","","","","","","","","complexation","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H68 F N5 O2 -","- C46 H68 F N5 O2 -","- C368 H544 F8 N40 O16 -","8","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","0.71073","MoKα","","0.0964","0.0573","","0.129","0.1154","0.129","","","","","","0.99","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125260","23.627","0.0008","15.1483","0.0004","26.7686","0.0011","90","","110.213","0.005","90","","8990.7","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H68 F N5 O6 -","- C46 H68 F N5 O6 -","- C368 H544 F8 N40 O48 -","8","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.1068","0.0925","","0.2561","0.245","0.2559","","","","","","1.0021","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125261","23.8256","0.0002","14.9792","0.0001","25.1935","0.0002","90","","107.918","0.0009","90","","8555.2","0.12","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 Cl4 F N5 O2 -","- C42 H56 Cl4 F N5 O2 -","- C336 H448 Cl32 F8 N40 O16 -","8","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.034","0.0318","","0.0843","0.0822","0.0843","","","","","","0.9901","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125262","12.8854","0.0001","16.5136","0.0001","26.1896","0.0002","90","","98.5587","0.0007","90","","5510.68","0.07","150","","150","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C58 H92 F N5 O2 -","- C58 H92 F N5 O2 -","- C232 H368 F4 N20 O8 -","4","2","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5419","CuKα","","0.0586","0.0558","","0.1691","0.1654","0.1689","","","","","","0.9959","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125263","13.2102","0.0003","14.734","0.0003","21.0702","0.0005","90","","96.2452","0.001","90","","4076.75","0.16","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 F5 N5 O2 -","- C42 H56 F5 N5 O2 -","- C168 H224 F20 N20 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","0.71073","MoKα","","0.1065","0.0561","","0.1181","0.1027","0.1181","","","","","","0.9679","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125264","36.1165","0.0004","36.1165","0.0004","45.7915","0.0005","90","","90","","120","","51728.1","1","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H84 F N5 O2 -","- C54 H84 F N5 O2 -","- C1944 H3024 F36 N180 O72 -","36","2","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.1558","0.0971","","0.128","0.0863","0.0863","","","","","","1.148","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125265","24.2255","0.0006","8.1758","0.0002","16.4519","0.0005","90","","99.107","0.003","90","","3217.43","0.15","150","","150","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H48 F I2 N3 O2 -","- C29 H48 F I2 N3 O2 -","- C116 H192 F4 I8 N12 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.025","0.0249","","0.0663","0.0662","0.0663","","","","","","1.0075","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125266","23.8588","0.0006","8.1744","0.0002","16.1922","0.0004","90","","96.692","0.003","90","","3136.47","0.14","150","","150","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H48 Br2 F N3 O2 -","- C29 H48 Br2 F N3 O2 -","- C116 H192 Br8 F4 N12 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0359","0.0344","","0.0893","0.0882","0.0893","","","","","","0.9995","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125267","12.3667","0.00006","17.56165","0.00009","15.47775","0.00008","90","","94.266","0.0005","90","","3352.14","0.03","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H58 F N3 O2 -","- C33 H58 F N3 O2 -","- C132 H232 F4 N12 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.129","0.1225","","0.5489","0.5334","0.5489","","","","","","2.9913","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125268","15.9606","0.0005","17.2439","0.0004","26.6482","0.0008","90","","103.648","0.003","90","","7127.1","0.4","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H62 F N3 O2 -","- C35 H62 F N3 O2 -","- C280 H496 F8 N24 O16 -","8","2","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0933","0.0606","","0.1795","0.1517","0.1791","","","","","","0.9713","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125269","13.7989","0.0002","17.0778","0.0003","15.4612","0.0003","90","","104.548","0.0006","90","","3526.69","0.11","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Br2 Cl2 F N3 O2 -","- C30 H50 Br2 Cl2 F N3 O2 -","- C120 H200 Br8 Cl8 F4 N12 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","0.71073","MoKα","","0.0716","0.0488","","0.1108","0.1036","0.1108","","","","","","0.9621","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125270","22.8897","0.0002","15.1701","0.0001","24.7223","0.0002","90","","90","","90","","8584.55","0.12","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H50 Cl2 F N7 O3 -","- C44 H50 Cl2 F N7 O3 -","- C352 H400 Cl16 F8 N56 O24 -","8","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0598","0.0518","","0.1536","0.1457","0.1528","","","","","","0.9797","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125271","12.4349","0.0002","22.5589","0.0003","15.525","0.0002","90","","90.6731","0.0012","90","","4354.74","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 F N7 O3 -","- C47 H56 F N7 O3 -","- C188 H224 F4 N28 O12 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0487","0.038","","0.1008","0.0923","0.1008","","","","","","0.9851","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125272","14.2788","0.0001","15.3802","0.0002","22.0076","0.0002","90","","95.0763","0.0009","90","","4814.15","0.08","150","","150","","","","","","","","complexation","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H70 F N3 O2 -","- C56 H70 F N3 O2 -","- C224 H280 F4 N12 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0476","0.0392","","0.1037","0.097","0.1037","","","","","","0.9721","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125273","12.6627","0.0004","14.9489","0.0005","15.037","0.0004","114.772","0.003","103.341","0.003","94.373","0.003","2466.09","0.16","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H64 F5 N5 O5 -","- C52 H64 F5 N5 O5 -","- C104 H128 F10 N10 O10 -","2","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0416","0.0381","","0.1032","0.1","0.1032","","","","","","0.9937","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125274","17.3563","0.0004","15.9395","0.0003","17.7772","0.0004","90","","108.149","0.002","90","","4673.4","0.18","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 Cl4 F N5 O4 -","- C48 H56 Cl4 F N5 O4 -","- C192 H224 Cl16 F4 N20 O16 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0826","0.078","","0.293","0.2897","0.293","","","","","","1.0047","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125275","22.2441","0.0016","8.1479","0.0004","20.0331","0.0017","90","","120.67","0.01","90","","3123","0.5","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H52 F N3 O4 -","- C32 H52 F N3 O4 -","- C128 H208 F4 N12 O16 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0247","0.0246","","0.0677","0.0676","0.0677","","","","","","1.0019","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125276","13.071","0.004","15.712","0.005","25.244","0.008","90","","101.98","0.02","90","","5071","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H84 F N5 O2 -","- C54 H84 F N5 O2 -","- C216 H336 F4 N20 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","","neutron","","0.0764","0.0764","","","0.1893","0.1893","","","","","","1.056","","","","has coordinates,has disorder","211412","2020-10-21","18:00:00",""
"4125277","23.787","0.007","14.962","0.005","25.156","0.008","90","","107.93","0.02","90","","8518","5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 Cl4 F N5 O2 -","- C42 H56 Cl4 F N5 O2 -","- C336 H448 Cl32 F8 N40 O16 -","8","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","","neutron","","0.0929","0.0929","","","0.2381","0.2381","","","","","","1.067","","","","has coordinates","211412","2020-10-21","18:00:00",""
"4125278","13.209","0.004","14.686","0.006","21.024","0.008","90","","96.11","0.03","90","","4055","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 F5 N5 O2 -","- C42 H56 F5 N5 O2 -","- C168 H224 F20 N20 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","","neutron","","0.1031","0.1031","","","0.2639","0.2639","","","","","","1.319","","","","has coordinates","211412","2020-10-21","18:00:00",""
"4125279","12.518","0.008","7.417","0.004","13.997","0.009","90","","115.009","0.01","90","","1177.7","1.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H20 Cl N O4 -","- C8 H20 Cl N O4 -","- C32 H80 Cl4 N4 O16 -","4","1","","Ye, Heng-Yun; Ge, Jia-Zhen; Tang, Yuan-Yuan; Li, Peng-Fei; Zhang, Yi; You, Yu-Meng; Xiong, Ren-Gen","Molecular Ferroelectric with Most Equivalent Polarization Directions Induced by the Plastic Phase Transition.","Journal of the American Chemical Society","2016","138","40","13175","","10.1021/jacs.6b08817","","","0.71073","MoKα","","0.0572","0.0507","","","0.1156","0.1198","","","","","","1.058","","","","has coordinates","187930","2020-10-21","18:00:00",""
"4125280","11.9958","0.0012","16.3222","0.0015","10.2282","0.001","90","","108.225","0.003","90","","1902.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O2 -","- C26 H20 N2 O2 -","- C104 H80 N8 O8 -","4","1","","Bloch, Witold M.; Abe, Yoko; Holstein, Julian J.; Wandtke, Claudia M.; Dittrich, Birger; Clever, Guido H.","Geometric Complementarity in Assembly and Guest Recognition of a Bent Heteroleptic cis-[Pd2L(A)2L(B)2] Coordination Cage.","Journal of the American Chemical Society","2016","138","41","13750","","10.1021/jacs.6b08694","","","0.71073","MoKα","","0.0567","0.044","","","0.1251","0.1366","","","","","","1.052","","","","has coordinates","187906","2020-10-21","18:00:00",""
"4125281","23.187","0.007","73.53","0.02","23.314","0.007","90","","117.719","0.009","90","","35187","18","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C164 H124 B4 F16 N12 O4 Pd2 -","- C164 H124 B4 F16 N12 O4 Pd2 -","- C656 H496 B16 F64 N48 O16 Pd8 -","4","0.5","","Bloch, Witold M.; Abe, Yoko; Holstein, Julian J.; Wandtke, Claudia M.; Dittrich, Birger; Clever, Guido H.","Geometric Complementarity in Assembly and Guest Recognition of a Bent Heteroleptic cis-[Pd2L(A)2L(B)2] Coordination Cage.","Journal of the American Chemical Society","2016","138","41","13750","","10.1021/jacs.6b08694","","","1.54178","CuKα","","0.1739","0.124","","","0.3429","0.3811","","","","","","1.429","","","","has coordinates","187906","2020-10-21","18:00:00",""
"4125282","9.5907","0.0002","17.2393","0.0004","13.3259","0.0003","90","","109.602","0.0011","90","","2075.58","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H19 Cl2 F N2 O4 -","- C19 H19 Cl2 F N2 O4 -","- C76 H76 Cl8 F4 N8 O16 -","4","2","","Vara, Brandon A.; Johnston, Jeffrey N.","Enantioselective Synthesis of β-Fluoro Amines via β-Amino α-Fluoro Nitroalkanes and a Traceless Activating Group Strategy","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b07731","","","0.71073","MoKα","","0.0358","0.0333","","","0.0864","0.0888","","","","","","1.024","","","","has coordinates","187374","2020-10-21","18:00:00",""
"4125283","43.9606","0.001","24.3886","0.0007","9.838","0.0002","90","","90","","90","","10547.7","0.4","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C162 H76 -","- C161.5 H76 -","- C646 H304 -","4","0.5","","Lee, Semin; Chénard, Etienne; Gray, Danielle L.; Moore, Jeffrey S.","Synthesis of Cycloparaphenyleneacetylene via Alkyne Metathesis: C70 Complexation and Copper-Free Triple Click Reaction.","Journal of the American Chemical Society","2016","138","42","13814","","10.1021/jacs.6b08752","","","0.71073","MoKα","","0.0964","0.0766","","","0.2054","0.217","","","","","","1.261","","","","has coordinates,has disorder","187932","2020-10-21","18:00:00",""
"4125284","8.7705","0.0003","11.8484","0.0005","16.7993","0.0006","90","","90","","90","","1745.72","0.11","150","2","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H26 O2 Si -","- C18 H26 O2 Si -","- C72 H104 O8 Si4 -","4","1","","Xue, Weichao; Qu, Zheng-Wang; Grimme, Stefan; Oestreich, Martin","Copper-Catalyzed Cross-Coupling of Silicon Pronucleophiles with Unactivated Alkyl Electrophiles Coupled with Radical Cyclization.","Journal of the American Chemical Society","2016","138","43","14222","14225","10.1021/jacs.6b09596","","x-ray","1.54184","CuKα","","0.0387","0.0345","","","0.0816","0.0912","","","","","","1.057","","","","has coordinates","187909","2020-10-21","18:00:00",""
"4125285","8.751","0.0012","8.751","0.0012","5.8981","0.0012","90","","90","","120","","391.16","0.11","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- B Bi3 O9 Te -","- B Bi3 O9 Te -","- B2 Bi6 O18 Te2 -","2","0.333333","","Xia, Mingjun; Jiang, Xingxing; Lin, Zheshuai; Li, Rukang","""All-Three-in-One"": A New Bismuth-Tellurium-Borate Bi3TeBO9 Exhibiting Strong Second Harmonic Generation Response.","Journal of the American Chemical Society","2016","138","43","14190","14193","10.1021/jacs.6b08813","","","0.71073","MoKα","","0.0275","0.025","","","0.0465","0.0469","","","","","","0.985","","","","has coordinates","187913","2020-10-21","18:00:00",""
"4125286","9.87","0.002","33.746","0.004","9.87","0.002","90","","106.454","0.003","90","","3152.8","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 Br O2 -","- C18 H17 Br O2 -","- C144 H136 Br8 O16 -","8","4","","Nguyen, Khoa D.; Herkommer, Daniel; Krische, Michael J.","Enantioselective Formation of All-Carbon Quaternary Centers via C-H Functionalization of Methanol: Iridium-Catalyzed Diene Hydrohydroxymethylation.","Journal of the American Chemical Society","2016","138","43","14210","14213","10.1021/jacs.6b09333","","","0.71073","MoKα","","0.0864","0.049","","","0.0829","0.0918","","","","","","0.96","","","","has coordinates,has disorder","187910","2020-10-21","18:00:00",""
"4125287","12.74","0.002","15.43","0.003","14.863","0.003","90","","96.496","0.004","90","","2903","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Co N7 O5 -","- C32 H26 Co N7 O5 -","- C128 H104 Co4 N28 O20 -","4","1","","Planas, Oriol; Whiteoak, Christopher J.; Martin-Diaconescu, Vlad; Gamba, Ilaria; Luis, Josep M.; Parella, Teodor; Company, Anna; Ribas, Xavi","Isolation of Key Organometallic Aryl-Co(III) Intermediates in Cobalt-Catalyzed C(sp(2))-H Functionalizations and New Insights into Alkyne Annulation Reaction Mechanisms.","Journal of the American Chemical Society","2016","138","43","14388","14397","10.1021/jacs.6b08593","","","0.71073","MoKα","","0.0765","0.0466","","","0.0998","0.1123","","","","","","1.035","","","","has coordinates","187912","2020-10-21","18:00:00",""
"4125288","11.6313","0.0009","11.6947","0.0009","12.0054","0.001","115.424","0.001","92.168","0.001","97.853","0.001","1452.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H30 Cl2 Co N7 O9 -","- C23 H30 Cl2 Co N7 O9 -","- C46 H60 Cl4 Co2 N14 O18 -","2","1","","Planas, Oriol; Whiteoak, Christopher J.; Martin-Diaconescu, Vlad; Gamba, Ilaria; Luis, Josep M.; Parella, Teodor; Company, Anna; Ribas, Xavi","Isolation of Key Organometallic Aryl-Co(III) Intermediates in Cobalt-Catalyzed C(sp(2))-H Functionalizations and New Insights into Alkyne Annulation Reaction Mechanisms.","Journal of the American Chemical Society","2016","138","43","14388","14397","10.1021/jacs.6b08593","","","0.71073","MoKα","","0.1175","0.0926","","","0.2364","0.2655","","","","","","1.109","","","","has coordinates,has disorder","187912","2020-10-21","18:00:00",""
"4125289","8.766","0.005","10.31","0.006","11.915","0.007","69.468","0.008","76.746","0.01","71.536","0.01","948","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Co N3 O4 -","- C19 H23 Co N3 O4 -","- C38 H46 Co2 N6 O8 -","2","1","","Planas, Oriol; Whiteoak, Christopher J.; Martin-Diaconescu, Vlad; Gamba, Ilaria; Luis, Josep M.; Parella, Teodor; Company, Anna; Ribas, Xavi","Isolation of Key Organometallic Aryl-Co(III) Intermediates in Cobalt-Catalyzed C(sp(2))-H Functionalizations and New Insights into Alkyne Annulation Reaction Mechanisms.","Journal of the American Chemical Society","2016","138","43","14388","14397","10.1021/jacs.6b08593","","","0.71073","MoKα","","0.1057","0.0782","","","0.1997","0.2212","","","","","","1.012","","","","has coordinates","187912","2020-10-21","18:00:00",""
"4125290","11.9362","0.0008","20.3758","0.0013","12.2543","0.0008","90","","114.515","0.001","90","","2711.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 Cl2 Co N6 O8 -","- C23 H29 Cl2 Co N6 O8 -","- C92 H116 Cl8 Co4 N24 O32 -","4","1","","Planas, Oriol; Whiteoak, Christopher J.; Martin-Diaconescu, Vlad; Gamba, Ilaria; Luis, Josep M.; Parella, Teodor; Company, Anna; Ribas, Xavi","Isolation of Key Organometallic Aryl-Co(III) Intermediates in Cobalt-Catalyzed C(sp(2))-H Functionalizations and New Insights into Alkyne Annulation Reaction Mechanisms.","Journal of the American Chemical Society","2016","138","43","14388","14397","10.1021/jacs.6b08593","","","0.71073","MoKα","","0.0515","0.0466","","","0.1129","0.116","","","","","","1.091","","","","has coordinates","187912","2020-10-21","18:00:00",""
"4125291","9.6236","0.0009","16.615","0.0016","11.8767","0.0011","90","","91.405","0.002","90","","1898.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Cl2 N3 O Rh -","- C18 H24 Cl2 N3 O Rh -","- C72 H96 Cl8 N12 O4 Rh4 -","4","1","","Planas, Oriol; Whiteoak, Christopher J.; Martin-Diaconescu, Vlad; Gamba, Ilaria; Luis, Josep M.; Parella, Teodor; Company, Anna; Ribas, Xavi","Isolation of Key Organometallic Aryl-Co(III) Intermediates in Cobalt-Catalyzed C(sp(2))-H Functionalizations and New Insights into Alkyne Annulation Reaction Mechanisms.","Journal of the American Chemical Society","2016","138","43","14388","14397","10.1021/jacs.6b08593","","","0.71073","MoKα","","0.0301","0.0267","","","0.0643","0.0661","","","","","","1.084","","","","has coordinates","187912","2020-10-21","18:00:00",""
"4125292","15.4764","0.0005","15.4764","0.0005","40.5896","0.0019","90","","90","","90","","9722","0.6","100","2","99.99","","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C48 H36 Cl2 N4 O10 -","- C48 H36 Cl2 N4 O10 -","- C384 H288 Cl16 N32 O80 -","8","1","","Samanta, Avik; Liu, Zhichang; Nalluri, Siva Krishna Mohan; Zhang, Yu; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Double-Helix Formation by Diastereoisomeric Conformations of Configurationally Enantiomeric Macrocycles.","Journal of the American Chemical Society","2016","138","43","14469","14480","10.1021/jacs.6b09258","","","1.54178","CuKα","","0.1227","0.0768","","","0.2017","0.2251","","","","","","0.954","","","","has coordinates","187911","2020-10-21","18:00:00",""
"4125293","15.4749","0.0005","15.4749","0.0005","40.5132","0.0015","90","","90","","90","","9701.8","0.6","100","2","100","","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C47 H34 Cl N4 O10 -","- C47 H34 Cl N4 O10 -","- C376 H272 Cl8 N32 O80 -","8","1","","Samanta, Avik; Liu, Zhichang; Nalluri, Siva Krishna Mohan; Zhang, Yu; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Double-Helix Formation by Diastereoisomeric Conformations of Configurationally Enantiomeric Macrocycles.","Journal of the American Chemical Society","2016","138","43","14469","14480","10.1021/jacs.6b09258","","","1.54178","CuKα","","0.1184","0.0918","","","0.2667","0.288","","","","","","1.049","","","","has coordinates","187911","2020-10-21","18:00:00",""
"4125294","32.045","0.004","8.258","0.0009","14.0706","0.0015","90","","97.5","0.003","90","","3691.6","0.7","100","2","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C45 H36 N4 O9 -","- C45 H36 N4 O9 -","- C180 H144 N16 O36 -","4","1","","Samanta, Avik; Liu, Zhichang; Nalluri, Siva Krishna Mohan; Zhang, Yu; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Double-Helix Formation by Diastereoisomeric Conformations of Configurationally Enantiomeric Macrocycles.","Journal of the American Chemical Society","2016","138","43","14469","14480","10.1021/jacs.6b09258","","","1.54178","CuKα","","0.0375","0.0372","","","0.1004","0.1008","","","","","","1.053","","","","has coordinates","187911","2020-10-21","18:00:00",""
"4125295","10.9732","0.001","16.0101","0.0014","15.5863","0.0014","90","","94.993","0.003","90","","2727.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 O4 -","- C32 H38 O4 -","- C128 H152 O16 -","4","1","","Boyce, Jonathan H.; Eschenbrenner-Lux, Vincent; Porco, Jr, John A","Syntheses of (+)-30-epi-, (-)-6-epi-, (±)-6,30-epi-13,14-Didehydroxyisogarcinol and (±)-6,30-epi-Garcimultiflorone A Utilizing Highly Diastereoselective, Lewis Acid-Controlled Cyclizations.","Journal of the American Chemical Society","2016","138","44","14789","14797","10.1021/jacs.6b09727","","","1.54178","CuKα","","0.0389","0.0386","","","0.0952","0.0955","","","","","","1.046","","","","has coordinates,has disorder","189944","2020-10-21","18:00:00",""
"4125296","23.1187","0.0004","7.8379","0.0002","15.2175","0.0003","90","","90","","90","","2757.44","0.1","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C32 H38 O4 -","- C32 H38 O4 -","- C128 H152 O16 -","4","1","","Boyce, Jonathan H.; Eschenbrenner-Lux, Vincent; Porco, Jr, John A","Syntheses of (+)-30-epi-, (-)-6-epi-, (±)-6,30-epi-13,14-Didehydroxyisogarcinol and (±)-6,30-epi-Garcimultiflorone A Utilizing Highly Diastereoselective, Lewis Acid-Controlled Cyclizations.","Journal of the American Chemical Society","2016","138","44","14789","14797","10.1021/jacs.6b09727","","","1.54178","CuKα","","0.0299","0.0294","","","0.0769","0.0772","","","","","","1.044","","","","has coordinates","189944","2020-10-21","18:00:00",""
"4125297","14.1854","0.0002","19.4283","0.0003","19.7516","0.0003","90","","102.419","0.001","90","","5316.13","0.14","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 O4 -","- C30 H36 O4 -","- C240 H288 O32 -","8","2","","Boyce, Jonathan H.; Eschenbrenner-Lux, Vincent; Porco, Jr, John A","Syntheses of (+)-30-epi-, (-)-6-epi-, (±)-6,30-epi-13,14-Didehydroxyisogarcinol and (±)-6,30-epi-Garcimultiflorone A Utilizing Highly Diastereoselective, Lewis Acid-Controlled Cyclizations.","Journal of the American Chemical Society","2016","138","44","14789","14797","10.1021/jacs.6b09727","","","1.54178","CuKα","","0.0437","0.0411","","","0.1068","0.1094","","","","","","1.044","","","","has coordinates,has disorder","189944","2020-10-21","18:00:00",""
"4125298","7.635","0.0013","9.2691","0.0016","14.887","0.003","89.64","0.003","79.774","0.003","70.461","0.003","975.5","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 B Cl N -","- C10 H11 B Cl N -","- C40 H44 B4 Cl4 N4 -","4","2","","Xu, Senmiao; Zhang, Yuanzhe; Li, Bo; Liu, Shih-Yuan","Site-Selective and Stereoselective trans-Hydroboration of 1,3-Enynes Catalyzed by 1,4-Azaborine-Based Phosphine-Pd Complex.","Journal of the American Chemical Society","2016","138","44","14566","14569","10.1021/jacs.6b09759","","","0.71073","MoKα","","0.0548","0.0488","","","0.1344","0.1426","","","","","","0.98","","","","has coordinates","189945","2020-10-21","18:00:00",""
"4125299","11.7894","0.0015","6.7732","0.0009","21.252","0.003","90","","96.611","0.002","90","","1685.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H29 B O2 -","- C17 H29 B O2 -","- C68 H116 B4 O8 -","4","1","","Xu, Senmiao; Zhang, Yuanzhe; Li, Bo; Liu, Shih-Yuan","Site-Selective and Stereoselective trans-Hydroboration of 1,3-Enynes Catalyzed by 1,4-Azaborine-Based Phosphine-Pd Complex.","Journal of the American Chemical Society","2016","138","44","14566","14569","10.1021/jacs.6b09759","","","0.71073","MoKα","","0.0584","0.042","","","0.0965","0.1055","","","","","","1.027","","","","has coordinates","189945","2020-10-21","18:00:00",""
"4125300","7.1599","0.0003","17.614","0.0008","33.0261","0.0015","90","","90.955","0.002","90","","4164.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 B N O4 -","- C22 H28 B N O4 -","- C176 H224 B8 N8 O32 -","8","2","","Xu, Senmiao; Zhang, Yuanzhe; Li, Bo; Liu, Shih-Yuan","Site-Selective and Stereoselective trans-Hydroboration of 1,3-Enynes Catalyzed by 1,4-Azaborine-Based Phosphine-Pd Complex.","Journal of the American Chemical Society","2016","138","44","14566","14569","10.1021/jacs.6b09759","","","1.54178","CuKα","","0.036","0.0344","","","0.0863","0.0878","","","","","","1.008","","","","has coordinates","189945","2020-10-21","18:00:00",""
"4125301","12.0431","0.0009","15.597","0.0012","23.7704","0.0017","85.72","0.003","89.462","0.003","87.941","0.004","4449.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H51 B N O P Pd -","- C54 H51 B N O P Pd -","- C216 H204 B4 N4 O4 P4 Pd4 -","4","2","","Xu, Senmiao; Zhang, Yuanzhe; Li, Bo; Liu, Shih-Yuan","Site-Selective and Stereoselective trans-Hydroboration of 1,3-Enynes Catalyzed by 1,4-Azaborine-Based Phosphine-Pd Complex.","Journal of the American Chemical Society","2016","138","44","14566","14569","10.1021/jacs.6b09759","","","1.54178","CuKα","","0.0697","0.0617","","","0.1714","0.1838","","","","","","1.06","","","","has coordinates,has disorder","189945","2020-10-21","18:00:00",""
"4125302","8.2753","0.0008","23.637","0.003","15.5395","0.0016","90","","91.454","0.0018","90","","3038.6","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H21 B O2 -","- C16 H21 B O2 -","- C128 H168 B8 O16 -","8","2","","Xu, Senmiao; Zhang, Yuanzhe; Li, Bo; Liu, Shih-Yuan","Site-Selective and Stereoselective trans-Hydroboration of 1,3-Enynes Catalyzed by 1,4-Azaborine-Based Phosphine-Pd Complex.","Journal of the American Chemical Society","2016","138","44","14566","14569","10.1021/jacs.6b09759","","","0.71073","MoKα","","0.0378","0.0352","","","0.089","0.0907","","","","","","1.033","","","","has coordinates","189945","2020-10-21","18:00:00",""
"4125303","9.0973","0.0006","12.1312","0.0008","12.6499","0.0008","61.9968","0.0012","86.9618","0.0013","82.3284","0.0012","1221.5","0.14","240","2","240","2","","","","","","","","4","P -1","-P 1","2","","Mo-complex","","- C47 H72 Mo2 N6 -","- C42 H60 Mo2 N6 -","- C42 H60 Mo2 N6 -","1","0.5","","Duman, Leila M.; Farrell, Wesley S.; Zavalij, Peter Y.; Sita, Lawrence R.","Steric Switching From Photochemical to Thermal Reaction Pathways for Enhanced Efficiency in Metal-Mediated Nitrogen Fixation.","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b09789","","","0.71073","MoKα","","0.0351","0.0287","","","0.0626","0.0671","","","","","","1","","","","has coordinates","187819","2020-10-21","18:00:00",""
"4125304","8.9239","0.0004","14.315","0.0007","16.5395","0.0008","90","","91.9751","0.0007","90","","2111.59","0.17","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","W-complex","","- C42 H60 N6 W2 -","- C42 H60 N6 W2 -","- C84 H120 N12 W4 -","2","0.5","","Duman, Leila M.; Farrell, Wesley S.; Zavalij, Peter Y.; Sita, Lawrence R.","Steric Switching From Photochemical to Thermal Reaction Pathways for Enhanced Efficiency in Metal-Mediated Nitrogen Fixation.","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b09789","","","0.71073","MoKα","","0.0334","0.0249","","","0.0512","0.0542","","","","","","1","","","","has coordinates","187819","2020-10-21","18:00:00",""
"4125305","9.3284","0.0008","10.5054","0.0009","10.8214","0.0009","68.9283","0.0011","83.4876","0.0012","80.3686","0.0013","973.98","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Mo2-complex","","- C42 H60 Mo2 N6 -","- C42 H60 Mo2 N6 -","- C42 H60 Mo2 N6 -","1","0.5","","Duman, Leila M.; Farrell, Wesley S.; Zavalij, Peter Y.; Sita, Lawrence R.","Steric Switching From Photochemical to Thermal Reaction Pathways for Enhanced Efficiency in Metal-Mediated Nitrogen Fixation.","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b09789","","","0.71073","MoKα","","0.0242","0.022","","","0.0491","0.0504","","","","","","1","","","","has coordinates,has disorder","187819","2020-10-21","18:00:00",""
"4125306","9.2992","0.0008","10.5263","0.0009","10.8305","0.0009","68.863","0.0011","83.4357","0.0011","80.1046","0.0012","972.54","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","W-complex","","- C42 H60 N6 W2 -","- C42 H60 N6 W2 -","- C42 H60 N6 W2 -","1","0.5","","Duman, Leila M.; Farrell, Wesley S.; Zavalij, Peter Y.; Sita, Lawrence R.","Steric Switching From Photochemical to Thermal Reaction Pathways for Enhanced Efficiency in Metal-Mediated Nitrogen Fixation.","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b09789","","","0.71073","MoKα","","0.0167","0.016","","","0.0386","0.0389","","","","","","1.032","","","","has coordinates","187819","2020-10-21","18:00:00",""
"4125307","12.8041","0.0007","8.5331","0.0005","19.6219","0.0011","90","","96.601","0.001","90","","2129.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mo-complex","","- C21 H30 Cl Mo N3 -","- C21 H30 Cl Mo N3 -","- C84 H120 Cl4 Mo4 N12 -","4","1","","Duman, Leila M.; Farrell, Wesley S.; Zavalij, Peter Y.; Sita, Lawrence R.","Steric Switching From Photochemical to Thermal Reaction Pathways for Enhanced Efficiency in Metal-Mediated Nitrogen Fixation.","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b09789","","","0.71073","MoKα","","0.036","0.028","","","0.0564","0.0598","","","","","","1","","","","has coordinates","187819","2020-10-21","18:00:00",""
"4125308","18.167","0.0009","9.5868","0.0005","17.1967","0.0009","90","","117.744","0.0007","90","","2650.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mo-complex","","- C24 H39 Mo N3 Si -","- C24 H39 Mo N3 Si -","- C96 H156 Mo4 N12 Si4 -","4","1","","Duman, Leila M.; Farrell, Wesley S.; Zavalij, Peter Y.; Sita, Lawrence R.","Steric Switching From Photochemical to Thermal Reaction Pathways for Enhanced Efficiency in Metal-Mediated Nitrogen Fixation.","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b09789","","","0.71073","MoKα","","0.0306","0.0253","","","0.0621","0.065","","","","","","1.034","","","","has coordinates","187819","2020-10-21","18:00:00",""
"4125309","10.6286","0.0006","8.0267","0.0004","13.8441","0.0007","90","","110.892","0.003","90","","1103.43","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Cpting-07281-Pure","maimone77","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","1","","Ting, Chi P.; Xu, Gong; Zeng, Xianhuang; Maimone, Thomas J.","Annulative Methods Enable a Total Synthesis of the Complex Meroterpene Berkeleyone A.","Journal of the American Chemical Society","2016","138","45","14868","14871","10.1021/jacs.6b10397","","","1.54178","CuKα","","0.0434","0.036","","","0.0913","0.0961","","","","","","1.042","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125310","19.372","0.0012","7.4505","0.0005","19.2839","0.0011","90","","99.679","0.002","90","","2743.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","XG-I-41","maimone74","","- C28 H48 O4 Si -","- C28 H48 O4 Si -","- C112 H192 O16 Si4 -","4","1","","Ting, Chi P.; Xu, Gong; Zeng, Xianhuang; Maimone, Thomas J.","Annulative Methods Enable a Total Synthesis of the Complex Meroterpene Berkeleyone A.","Journal of the American Chemical Society","2016","138","45","14868","14871","10.1021/jacs.6b10397","","","0.71073","MoKα","","0.0609","0.0459","","","0.1079","0.1161","","","","","","1.061","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125311","11.4542","0.0009","18.779","0.0015","9.4302","0.0007","90","","90","","90","","2028.4","0.3","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","Cpting-07262-Pure1","maimone76","","- C11 H16 O3 -","- C11 H16 O3 -","- C88 H128 O24 -","8","1","","Ting, Chi P.; Xu, Gong; Zeng, Xianhuang; Maimone, Thomas J.","Annulative Methods Enable a Total Synthesis of the Complex Meroterpene Berkeleyone A.","Journal of the American Chemical Society","2016","138","45","14868","14871","10.1021/jacs.6b10397","","","1.54178","CuKα","","0.0343","0.0336","","","0.0903","0.0911","","","","","","1.076","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125312","9.2723","0.0006","24.6156","0.0016","10.9526","0.0007","90","","110.088","0.003","90","","2347.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","XG-I-186-1","maimone82","","- C26 H38 O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","1","","Ting, Chi P.; Xu, Gong; Zeng, Xianhuang; Maimone, Thomas J.","Annulative Methods Enable a Total Synthesis of the Complex Meroterpene Berkeleyone A.","Journal of the American Chemical Society","2016","138","45","14868","14871","10.1021/jacs.6b10397","","","1.54178","CuKα","","0.0387","0.037","","","0.0921","0.0937","","","","","","1.048","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125313","40.575","0.004","8.4965","0.0007","23.441","0.002","90","","103.327","0.0016","90","","7863.6","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H55 Cl N2 O W -","- C42.5 H55 Cl N2 O W -","- C340 H440 Cl8 N16 O8 W8 -","8","1","","Lam, Jonathan K.; Zhu, Congqing; Bukhryakov, Konstantin V.; Müller, Peter; Hoveyda, Amir; Schrock, Richard R.","Synthesis and Evaluation of Molybdenum and Tungsten Monoaryloxide Halide Alkylidene Complexes for Z-Selective Cross-Metathesis of Cyclooctene and Z-1,2-Dichloroethylene.","Journal of the American Chemical Society","2016","138","48","15774","15783","10.1021/jacs.6b10499","","","0.71073","MoKα","","0.0281","0.0249","","","0.0519","0.0529","","","","","","1.138","","","","has coordinates,has disorder","189941","2020-10-21","18:00:00",""
"4125314","12.9558","0.0011","27.591","0.002","20.4711","0.0016","90","","94.7881","0.0016","90","","7292.1","1","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 Cl F5 Mo N O P -","- C60 H72 Cl F5 Mo N O P -","- C240 H288 Cl4 F20 Mo4 N4 O4 P4 -","4","1","","Lam, Jonathan K.; Zhu, Congqing; Bukhryakov, Konstantin V.; Müller, Peter; Hoveyda, Amir; Schrock, Richard R.","Synthesis and Evaluation of Molybdenum and Tungsten Monoaryloxide Halide Alkylidene Complexes for Z-Selective Cross-Metathesis of Cyclooctene and Z-1,2-Dichloroethylene.","Journal of the American Chemical Society","2016","138","48","15774","15783","10.1021/jacs.6b10499","","","0.71073","MoKα","","0.0437","0.0317","","","0.0754","0.0809","","","","","","1.014","","","","has coordinates,has disorder","189941","2020-10-21","18:00:00",""
"4125315","20.729","0.005","11.107","0.002","21.689","0.005","90","","110.024","0.004","90","","4691.7","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H63 Cl Mo N2 O -","- C51 H63 Cl Mo N2 O -","- C204 H252 Cl4 Mo4 N8 O4 -","4","1","","Lam, Jonathan K.; Zhu, Congqing; Bukhryakov, Konstantin V.; Müller, Peter; Hoveyda, Amir; Schrock, Richard R.","Synthesis and Evaluation of Molybdenum and Tungsten Monoaryloxide Halide Alkylidene Complexes for Z-Selective Cross-Metathesis of Cyclooctene and Z-1,2-Dichloroethylene.","Journal of the American Chemical Society","2016","138","48","15774","15783","10.1021/jacs.6b10499","","","0.71073","MoKα","","0.0317","0.0261","","","0.0651","0.0688","","","","","","1.028","","","","has coordinates,has disorder","189941","2020-10-21","18:00:00",""
"4125316","5.827","0.003","18.141","0.006","14.817","0.006","90","","98.777","0.009","90","","1547.9","1.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Wang, Xueqiang; Nakajima, Masaki; Serrano, Eloisa; Martin, Ruben","Alkyl Bromides as Mild Hydride Sources in Ni-Catalyzed Hydroamidation of Alkynes with Isocyanates.","Journal of the American Chemical Society","2016","138","48","15531","15534","10.1021/jacs.6b10351","","","0.7107","MoKα","","0.0596","0.0565","","","0.1429","0.1442","","","","","","1.027","","","","has coordinates","189942","2020-10-21","18:00:00",""
"4125317","8.1179","0.0001","11.3464","0.0002","32.427","0.0004","90","","90","","90","","2986.82","0.07","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 F3 N2 O3 -","- C15 H15 F3 N2 O3 -","- C120 H120 F24 N16 O24 -","8","2","","Hu, Lin; Wu, Yongwei; Li, Zhe; Deng, Li","Catalytic Asymmetric Synthesis of Chiral γ-Amino Ketones via Umpolung Reactions of Imines","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b09754","","","1.5418","CuKα","","0.0266","0.0266","","0.0663","0.0663","0.0663","","","","","","1.0103","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4125318","5.2842","0.0002","10.4412","0.0003","28.9439","0.0009","90","","90","","90","","1596.93","0.09","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O3 -","- C17 H23 N O3 -","- C68 H92 N4 O12 -","4","1","","Hu, Lin; Wu, Yongwei; Li, Zhe; Deng, Li","Catalytic Asymmetric Synthesis of Chiral γ-Amino Ketones via Umpolung Reactions of Imines","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b09754","","","1.5418","CuKα","","0.0471","0.0373","","0.0817","0.0767","0.0817","","","","","","0.9795","","","","has coordinates,has disorder","188782","2020-10-21","18:00:00",""
"4125319","5.344","0.0001","10.8072","0.0003","26.8774","0.0007","90","","90","","90","","1552.27","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Hu, Lin; Wu, Yongwei; Li, Zhe; Deng, Li","Catalytic Asymmetric Synthesis of Chiral γ-Amino Ketones via Umpolung Reactions of Imines","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b09754","","","1.54178","CuKα","","0.0265","0.0251","","0.0613","0.0609","0.0613","","","","","","1.0142","","","","has coordinates","188783","2020-10-21","18:00:00",""
"4125320","4.9106","0.0002","12.146","0.0004","20.1647","0.0006","90","","90","","90","","1202.71","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 9g","compound 9g","","- C16 H10 F N O -","- C16 H10 F N O -","- C64 H40 F4 N4 O4 -","4","1","","Jiao, Zhiwei; Beiger, Jason J.; Jin, Yushu; Ge, Shaozhong; Zhou, Jianrong Steve; Hartwig, John F.","Palladium-Catalyzed Enantioselective α-Arylation of α-Fluoroketones.","Journal of the American Chemical Society","2016","138","49","15980","15986","10.1021/jacs.6b09580","","","1.54178","CuKα","","0.0283","0.0272","","","0.0714","0.0724","","","","","","1.047","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125321","13.5754","0.0009","20.2128","0.0013","22.6448","0.0014","90","","98.582","0.003","90","","6144.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Ph3CO)4(DME)U","Tetrakis(triphenylmethoxy) uranium(IV) DME adduct","","- C80 H70 O6 U -","- C80 H70 O6 U -","- C320 H280 O24 U4 -","4","1","","Boreen, Michael A.; Parker, Bernard F.; Lohrey, Trevor D.; Arnold, John","A Homoleptic Uranium(III) Tris(aryl) Complex.","Journal of the American Chemical Society","2016","138","49","15865","15868","10.1021/jacs.6b11182","","","0.7749","synchrotron","","0.0235","0.0195","","","0.0461","0.0476","","","","","","1.054","","","","has coordinates,has disorder","288178","2023-12-08","09:50:54",""
"4125322","52.7","0.002","14.4721","0.0006","19.1774","0.0007","90","","93.313","0.002","90","","14601.8","1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","(Terph)3U","Tris[2,6-bis(4-tert-butylphenyl)phenyl] uranium(III)","","- C87 H108 U -","- C87 H108 U -","- C696 H864 U8 -","8","1","","Boreen, Michael A.; Parker, Bernard F.; Lohrey, Trevor D.; Arnold, John","A Homoleptic Uranium(III) Tris(aryl) Complex.","Journal of the American Chemical Society","2016","138","49","15865","15868","10.1021/jacs.6b11182","","","0.71073","MoKα","","0.0375","0.0297","","","0.0657","0.069","","","","","","1.067","","","","has coordinates,has disorder","189946","2020-10-21","18:00:00",""
"4125323","10.2415","0.0003","11.9566","0.0005","23.1774","0.0008","90","","93.17","0.003","90","","2833.81","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 S6 Si4 -","- C24 H20 S6 Si4 -","- C96 H80 S24 Si16 -","4","1","","Rosemann, Nils W.; Eußner, Jens P.; Dornsiepen, Eike; Chatterjee, Sangam; Dehnen, Stefanie","Organotetrel Chalcogenide Clusters: Between Strong Second-Harmonic and White-Light Continuum Generation","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b10738","","","0.71073","MoKα","","0.0407","0.0277","","","0.0662","0.0688","","","","","","0.925","","","","has coordinates","188982","2020-10-21","18:00:00",""
"4125324","19.2665","0.001","4.8848","0.0002","30.5146","0.0021","90","","92.5","0.1","90","","2869.1","0.4","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H41 Cu N5 O10 -","- C25 H46.58 Cu N5.86 O9.25 -","- C100 H186.32 Cu4 N23.44 O37 -","4","1","","Mantion, Alexandre; Massüger, Lars; Rabu, Pierre; Palivan, Cornelia; McCusker, Lynne B.; Taubert, Andreas","Metal‒Peptide Frameworks (MPFs): “Bioinspired” Metal Organic Frameworks","Journal of the American Chemical Society","2008","130","8","2517","2526","10.1021/ja0762588","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","189122","2020-10-21","18:00:00",""
"4125325","8.3035","0.0002","21.4423","0.0006","26.1632","0.0007","90","","90","","90","","4658.3","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","KH_LIT_1_TBS","maimone91","","- C16 H24 O5 -","- C16 H24 O5 -","- C192 H288 O60 -","12","3","","Hung, Kevin; Condakes, Matthew L.; Morikawa, Takahiro; Maimone, Thomas J.","Oxidative Entry into the Illicium Sesquiterpenes: Enantiospecific Synthesis of (+)-Pseudoanisatin.","Journal of the American Chemical Society","2016","138","51","16616","16619","10.1021/jacs.6b11739","","","1.54178","CuKα","","0.045","0.0407","","","0.0873","0.0892","","","","","","1.06","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125326","6.1706","0.0005","13.4053","0.001","18.2977","0.0013","90","","90","","90","","1513.6","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","MLC-IV-252","maimone78","","- C16 H26 O5 -","- C16 H26 O5 -","- C64 H104 O20 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Morikawa, Takahiro; Maimone, Thomas J.","Oxidative Entry into the Illicium Sesquiterpenes: Enantiospecific Synthesis of (+)-Pseudoanisatin.","Journal of the American Chemical Society","2016","138","51","16616","16619","10.1021/jacs.6b11739","","","1.54178","CuKα","","0.0256","0.0255","","","0.0671","0.0672","","","","","","1.063","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125327","48.842","0.008","48.842","0.008","48.842","0.008","90","","90","","90","","116515","3","296","2","296","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- C366 H192 O66 Zr13 -","- C366 H192 O66 Zr13 -","- C1464 H768 O264 Zr52 -","4","0.0833333","","Zhang, Xin; Zhang, Xu; Johnson, Jacob A.; Chen, Yu-Sheng; Zhang, Jian","Highly Porous Zirconium Metal-Organic Frameworks with β-UH3-like Topology Based on Elongated Tetrahedral Linkers","Journal of the American Chemical Society","2016","138","27","8380","8383","10.1021/jacs.6b04608","","","0.41328","Synchrotron","","0.1453","0.1056","","","0.3037","0.3258","","","","","","1.168","","","","has coordinates","275237","2022-05-09","00:23:28",""
"4125328","49.365","0.003","49.365","0.003","49.365","0.003","90","","90","","90","","120298","13","296","2","296","2","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C360 H96 B6 F84 O57 Zr13 -","- C360 H96 B6 F84 O57 Zr13 -","- C1440 H384 B24 F336 O228 Zr52 -","4","0.0833333","","Zhang, Xin; Zhang, Xu; Johnson, Jacob A.; Chen, Yu-Sheng; Zhang, Jian","Highly Porous Zirconium Metal-Organic Frameworks with β-UH3-like Topology Based on Elongated Tetrahedral Linkers","Journal of the American Chemical Society","2016","138","27","8380","8383","10.1021/jacs.6b04608","","","0.41328","Synchrotron","","0.1812","0.1365","","","0.3015","0.3245","","","","","","1.555","","","","has coordinates","275237","2022-05-09","00:23:29",""
"4125329","30.7484","0.0006","14.2752","0.0003","27.7281","0.0008","90","","110.609","0.003","90","","11392.1","0.5","85","1","85","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C184 H94 Cl Co2 N P2 -","- C184 H94 Cl Co2 N P2 -","- C736 H376 Cl4 Co8 N4 P8 -","4","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Ishikawa, Manabu; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Spin Crossover in Anionic Cobalt-Bridged Fullerene (Bu4N(+)){Co(Ph3P)}2(μ2-Cl(-))(μ2-η(2),η(2)-C60)2 Dimers.","Journal of the American Chemical Society","2016","138","51","16592","16595","10.1021/jacs.6b09890","","x-ray","0.71073","MoKα","","0.0668","0.0532","","","0.1323","0.1401","","","","","","1.045","","","","has coordinates,has disorder","189940","2020-10-21","18:00:00",""
"4125330","30.8484","0.0014","14.3774","0.0007","27.9871","0.0013","90","","111.063","0.001","90","","11583.5","0.9","300","1","300","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C184 H94 Cl Co2 N P2 -","- C184.012 H94.028 Cl Co2 N P2 -","- C736.048 H376.112 Cl4 Co8 N4 P8 -","4","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Ishikawa, Manabu; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Spin Crossover in Anionic Cobalt-Bridged Fullerene (Bu4N(+)){Co(Ph3P)}2(μ2-Cl(-))(μ2-η(2),η(2)-C60)2 Dimers.","Journal of the American Chemical Society","2016","138","51","16592","16595","10.1021/jacs.6b09890","","x-ray","0.71073","MoKα","","0.0992","0.0521","","","0.1211","0.1446","","","","","","1.033","","","","has coordinates,has disorder","189940","2020-10-21","18:00:00",""
"4125331","8.3954","0.0008","12.6294","0.0012","29.103","0.003","96.201","0.002","94.663","0.003","90.016","0.002","3057.4","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H41 N4 O3 -","- C34 H41 N4 O3 -","- C136 H164 N16 O12 -","4","2","","Goulet-Hanssens, Alexis; Utecht, Manuel; Mutruc, Dragos; Titov, Evgenii; Schwarz, Jutta; Grubert, Lutz; Bléger, David; Saalfrank, Peter; Hecht, Stefan","Electrocatalytic Z →E Isomerization of Azobenzenes.","Journal of the American Chemical Society","2017","139","1","335","341","10.1021/jacs.6b10822","","","0.71073","MoKα","","0.1205","0.0729","","","0.1744","0.1983","","","","","","1.029","","","","has coordinates","193467","2020-10-21","18:00:00",""
"4125332","5.9674","0.0003","26.9049","0.0015","12.112","0.0007","90","","90.059","0.004","90","","1944.61","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","xj-04-076","hartwig133","","- C21 H14 F5 N O3 S -","- C21 H14 F5 N O3 S -","- C84 H56 F20 N4 O12 S4 -","4","2","","Jiang, Xingyu; Beiger, Jason J.; Hartwig, John F.","Stereodivergent Allylic Substitutions with Aryl Acetic Acid Esters by Synergistic Iridium and Lewis Base Catalysis.","Journal of the American Chemical Society","2017","139","1","87","90","10.1021/jacs.6b11692","","","1.54178","CuKα","","0.0548","0.0526","","","0.1194","0.1207","","","","","","1.056","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4125333","12.2364","0.0013","16.4272","0.0017","24.439","0.003","90","","94.911","0.002","90","","4894.4","0.9","130","","130","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C55 H67 Co N3 -","- C55 H67 Co N3 -","- C220 H268 Co4 N12 -","4","1","","Yao, Xiao-Nan; Du, Jing-Zhen; Zhang, Yi-Quan; Leng, Xue-Bing; Yang, Mu-Wen; Jiang, Shang-Da; Wang, Zhen-Xing; Ouyang, Zhong-Wen; Deng, Liang; Wang, Bing-Wu; Gao, Song","Two-Coordinate Co(II) Imido Complexes as Outstanding Single-Molecule Magnets.","Journal of the American Chemical Society","2017","139","1","373","380","10.1021/jacs.6b11043","","","0.71073","MoKα","","0.1431","0.056","","","0.1182","0.1531","","","","","","1.003","","","","has coordinates,has disorder","193462","2020-10-21","18:00:00",""
"4125334","11.283","0.005","15.718","0.006","12.919","0.005","90","","101.482","0.007","90","","2245.3","1.6","130","","130","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C51 H63 Co N3 -","- C51 H63 Co N3 -","- C102 H126 Co2 N6 -","2","0.5","","Yao, Xiao-Nan; Du, Jing-Zhen; Zhang, Yi-Quan; Leng, Xue-Bing; Yang, Mu-Wen; Jiang, Shang-Da; Wang, Zhen-Xing; Ouyang, Zhong-Wen; Deng, Liang; Wang, Bing-Wu; Gao, Song","Two-Coordinate Co(II) Imido Complexes as Outstanding Single-Molecule Magnets.","Journal of the American Chemical Society","2017","139","1","373","380","10.1021/jacs.6b11043","","","0.71073","MoKα","","0.1306","0.0577","","","0.1016","0.1272","","","","","","0.997","","","","has coordinates,has disorder","193462","2020-10-21","18:00:00",""
"4125335","10.0663","0.0009","10.6374","0.001","19.5657","0.0017","85.977","0.002","85.038","0.002","73.507","0.002","1999.1","0.3","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H66 Co N2 Si2 -","- C41 H66 Co N2 Si2 -","- C82 H132 Co2 N4 Si4 -","2","1","","Yao, Xiao-Nan; Du, Jing-Zhen; Zhang, Yi-Quan; Leng, Xue-Bing; Yang, Mu-Wen; Jiang, Shang-Da; Wang, Zhen-Xing; Ouyang, Zhong-Wen; Deng, Liang; Wang, Bing-Wu; Gao, Song","Two-Coordinate Co(II) Imido Complexes as Outstanding Single-Molecule Magnets.","Journal of the American Chemical Society","2017","139","1","373","380","10.1021/jacs.6b11043","","","0.71073","MoKα","","0.0468","0.0368","","","0.0949","0.0995","","","","","","1.027","","","","has coordinates","193462","2020-10-21","18:00:00",""
"4125336","11.5458","0.0008","16.5702","0.0012","16.8885","0.0012","90","","92.912","0.002","90","","3226.9","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H51 N5 O7 -","- C29 H51 N5 O7 -","- C116 H204 N20 O28 -","4","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0261","0.0258","","","0.0657","0.0659","","","","","","1.015","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125337","11.7505","0.0008","15.361","0.0011","16.1615","0.0011","90","","90","","90","","2917.1","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H43 N5 O7 -","- C25 H43 N5 O7 -","- C100 H172 N20 O28 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0251","0.0244","","","0.063","0.0635","","","","","","1.043","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125338","11.9119","0.0013","15.619","0.0017","16.4598","0.0017","86.532","0.002","89.527","0.002","88.976","0.002","3056.2","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H45 N5 O7 -","- C26 H45 N5 O7 -","- C104 H180 N20 O28 -","4","4","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.081","0.0526","","","0.1115","0.1219","","","","","","1.063","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125339","12.4001","0.0019","15.333","0.002","16.44","0.002","90","","90","","90","","3125.7","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H50 N6 O6 -","- C28 H50 N6 O6 -","- C112 H200 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0659","0.0507","","","0.1139","0.1212","","","","","","1.065","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125340","9.6322","0.0007","10.7847","0.0008","30.96","0.002","90","","90","","90","","3216.1","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H50 N6 O6 -","- C27 H50 N6 O6 -","- C108 H200 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0511","0.0466","","","0.1179","0.1207","","","","","","1.204","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125341","18.9459","0.0013","10.2874","0.0007","20.3541","0.0014","90","","114.654","0.002","90","","3605.5","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H50 N6 O6 -","- C36 H50 N6 O6 -","- C144 H200 N24 O24 -","4","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0375","0.035","","","0.09","0.0918","","","","","","1.024","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125342","16.3898","0.0011","18.3004","0.0013","24.0255","0.0017","90","","90","","90","","7206.2","0.9","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H53 N5 O7.5 -","- C34 H53 N5 O7.5 -","- C272 H424 N40 O60 -","8","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0731","0.0445","","","0.1004","0.118","","","","","","1.01","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125343","11.7452","0.0008","16.8106","0.0012","15.9153","0.0011","90","","91.065","0.002","90","","3141.8","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H47 N5 O7 -","- C27 H47 N5 O7 -","- C108 H188 N20 O28 -","4","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0361","0.0342","","","0.0925","0.0944","","","","","","1.026","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125344","9.4965","0.0007","10.4398","0.0007","31.132","0.002","90","","90","","90","","3086.5","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H46 N6 O6 -","- C26 H46 N6 O6 -","- C104 H184 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0375","0.032","","","0.0751","0.0764","","","","","","1.025","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125345","16.145","0.0011","16.2685","0.0011","21.7425","0.0015","90","","90","","90","","5710.8","0.7","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H43 N5 O7 -","- C24 H43 N5 O7 -","- C192 H344 N40 O56 -","8","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.1062","0.0592","","","0.126","0.1479","","","","","","1.048","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125346","9.6442","0.0007","10.6337","0.0007","28.723","0.002","90","","90","","90","","2945.6","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H45 N5 O7 -","- C25 H45 N5 O7 -","- C100 H180 N20 O28 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0245","0.0241","","","0.0625","0.0629","","","","","","1.048","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125347","9.5116","0.0004","10.8943","0.0004","30.9331","0.0011","90","","90","","90","","3205.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 N6 O6 -","- C30 H46 N6 O6 -","- C120 H184 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.512","Synchrotron","","0.0317","0.0309","","","0.0777","0.0782","","","","","","1.054","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125348","5.909","0.0004","24.4001","0.0017","10.6197","0.0007","90","","102.609","0.003","90","","1494.22","0.18","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H47 N5 O7 -","- C26 H47 N5 O7 -","- C52 H94 N10 O14 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0303","0.0292","","","0.0738","0.0743","","","","","","1.037","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125349","9.7528","0.0007","10.8277","0.0008","29.439","0.002","90","","90","","90","","3108.8","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 N5 O7 -","- C29 H45 N5 O7 -","- C116 H180 N20 O28 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0235","0.0232","","","0.0571","0.0573","","","","","","1.052","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125350","9.9289","0.0007","14.2705","0.001","11.0675","0.0008","90","","98.876","0.007","90","","1549.38","0.19","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H45 N5 O7 -","- C26 H45 N5 O7 -","- C52 H90 N10 O14 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0656","0.0611","","","0.1615","0.1675","","","","","","1.05","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125351","5.8475","0.0002","11.4463","0.0004","26.2716","0.0008","83.314","0.002","84.006","0.002","78.952","0.002","1708","0.1","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H49 N5 O7 -","- C32 H49 N5 O7 -","- C64 H98 N10 O14 -","2","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0606","0.042","","","0.0815","0.0879","","","","","","1.017","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125352","9.5263","0.0003","10.9728","0.0004","28.9779","0.001","90","","90","","90","","3029.07","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H47 N5 O7 -","- C26 H47 N5 O7 -","- C104 H188 N20 O28 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0479","0.0383","","","0.0893","0.0943","","","","","","1.02","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125353","11.0991","0.0003","9.255","0.0003","16.0095","0.0011","90","","100.869","0.007","90","","1615.03","0.14","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H46 N6 O6 -","- C30 H46 N6 O6 -","- C60 H92 N12 O12 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0507","0.0441","","","0.1039","0.1137","","","","","","1.103","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125354","12.0174","0.0008","9.4647","0.0007","13.6217","0.001","90","","106.691","0.003","90","","1484.07","0.18","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H46 N4 O7 -","- C27 H46 N4 O7 -","- C54 H92 N8 O14 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0518","0.0387","","","0.0848","0.0918","","","","","","1.02","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125355","10.2959","0.0007","10.4853","0.0007","14.9355","0.001","94.868","0.002","100.913","0.002","90.106","0.003","1577.24","0.18","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H46 N6 O6 S -","- C28 H46 N6 O6 S -","- C56 H92 N12 O12 S2 -","2","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0751","0.0628","","","0.1551","0.1684","","","","","","1.017","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125356","11.7165","0.0008","16.9463","0.0012","16.0776","0.0011","90","","91.257","0.003","90","","3191.5","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H49 N5 O7 -","- C28 H49 N5 O7 -","- C112 H196 N20 O28 -","4","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0426","0.0376","","","0.0941","0.0966","","","","","","1.046","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125357","11.725","0.015","22.82","0.03","25.93","0.03","90","","90","","90","","6938","15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 N6 O6 -","- C32 H52 N6 O6 -","- C256 H416 N48 O48 -","8","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0773","0.0575","","","0.129","0.1385","","","","","","1.093","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125358","10.6027","0.0007","8.8911","0.0006","15.9646","0.0011","90","","97.122","0.002","90","","1493.37","0.17","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H43 N5 O7 -","- C29 H43 N5 O7 -","- C58 H86 N10 O14 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0262","0.0252","","","0.063","0.0635","","","","","","1.045","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125359","9.7541","0.0007","10.7355","0.0008","29.43","0.002","90","","90","","90","","3081.8","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 N6 O6 -","- C27 H48 N6 O6 -","- C108 H192 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0255","0.0239","","","0.0667","0.0737","","","","","","1.148","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125360","9.6852","0.0007","10.7444","0.0008","31.296","0.002","90","","90","","90","","3256.7","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H50 N6 O6 -","- C29 H50 N6 O6 -","- C116 H200 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0502","0.0419","","","0.099","0.1044","","","","","","1.047","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125361","10.6617","0.0004","8.8095","0.0004","15.8579","0.0007","90","","97.106","0.002","90","","1478","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H43 N5 O7 -","- C28 H43 N5 O7 -","- C56 H86 N10 O14 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0556","0.0434","","","0.1043","0.1108","","","","","","1.062","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125362","14.0134","0.0006","21.2939","0.0009","11.1225","0.0004","90","","90","","90","","3319","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 N4 O7 S -","- C30 H44 N4 O7 S -","- C120 H176 N16 O28 S4 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0458","0.0416","","","0.1062","0.1082","","","","","","1.138","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125363","9.6527","0.0007","18.7582","0.0013","10.5398","0.0007","90","","115.399","0.002","90","","1724","0.2","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H53 N7 O9 -","- C29 H53 N7 O9 -","- C58 H106 N14 O18 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0348","0.0291","","","0.0646","0.0667","","","","","","1.038","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125364","11.8017","0.0005","15.0992","0.0006","19.6217","0.0008","90","","90","","90","","3496.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H50 N4 O7 S -","- C33 H50 N4 O7 S -","- C132 H200 N16 O28 S4 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0368","0.0318","","","0.0824","0.0853","","","","","","1.037","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125365","9.8381","0.0002","10.3396","0.0002","25.5626","0.0018","90","","97.525","0.007","90","","2577.9","0.2","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H37 N5 O7 -","- C22 H37 N5 O7 -","- C88 H148 N20 O28 -","4","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54187","CuKα","","0.047","0.0433","","","0.1104","0.1137","","","","","","1.047","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125366","27.2814","0.0019","15.4659","0.0011","17.7648","0.0012","90","","106.757","0.002","90","","7177.2","0.9","93","2","93","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29.25 H54.5 Cl N6 O6.25 -","- C29.25 H54.5 Cl N6 O6.25 -","- C234 H436 Cl8 N48 O50 -","8","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0401","0.0392","","","0.1146","0.1154","","","","","","1.042","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125367","12.3684","0.0007","18.2504","0.0009","13.2045","0.0008","90","","108.027","0.003","90","","2834.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H88 Li4 N4 O8 -","- C58 H88 Li4 N4 O8 -","- C116 H176 Li8 N8 O16 -","2","1","","Yu, Kai; Lu, Ping; Jackson, Jeffrey J.; Nguyen, Thuy-Ai D; Alvarado, Joseph; Stivala, Craig E.; Ma, Yun; Mack, Kyle A.; Hayton, Trevor W.; Collum, David B.; Zakarian, Armen","Lithium Enolates in the Enantioselective Construction of Tetrasubstituted Carbon Centers with Chiral Lithium Amides as Noncovalent Stereodirecting Auxiliaries.","Journal of the American Chemical Society","2017","139","1","527","533","10.1021/jacs.6b11673","","","0.71073","MoKα","","0.1005","0.0624","","","0.1385","0.1569","","","","","","1.019","","","","has coordinates","193469","2020-10-21","18:00:00",""
"4125368","13.903","0.003","30.755","0.006","12.122","0.002","90","","98.163","0.003","90","","5130.7","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H39 Cl3 F12 N4 O6 -","- C53 H39 Cl3 F12 N4 O6 -","- C212 H156 Cl12 F48 N16 O24 -","4","1","","Guberman-Pfeffer, Matthew J; Greco, Jordan A.; Samankumara, Lalith P.; Zeller, Matthias; Birge, Robert R.; Gascón, José A; Brückner, Christian","Bacteriochlorins with a Twist: Discovery of a Unique Mechanism to Red-Shift the Optical Spectra of Bacteriochlorins.","Journal of the American Chemical Society","2017","139","1","548","560","10.1021/jacs.6b12419","","","0.71073","MoKα","","0.0917","0.0503","","","0.1116","0.1295","","","","","","1.009","","","","has coordinates,has disorder","193465","2020-10-21","18:00:00",""
"4125369","15.158","0.0012","15.3757","0.0012","15.9657","0.0012","61.884","0.004","69.613","0.005","80.627","0.006","3076.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H152 N6 O36 P6 Zn6 -","- C112 H152 N6 O36 P6 Zn6 -","- C112 H152 N6 O36 P6 Zn6 -","1","0.5","","Gupta, Sandeep K.; Kalita, Alok Ch; Dar, Aijaz A.; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy","Elusive Double-Eight-Ring Zeolitic Secondary Building Unit.","Journal of the American Chemical Society","2017","139","1","59","62","10.1021/jacs.6b11156","","","0.71073","MoKα","","0.083","0.0594","","","0.1416","0.1559","","","","","","1.072","","","","has coordinates,has disorder","193475","2020-10-21","18:00:00",""
"4125370","20.717","0.002","28.654","0.003","31.996","0.004","90","","99.303","0.002","90","","18744","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C152 H187 N12 O40 P8 Zn8 -","- C152 H187 N12 O40 P8 Zn8 -","- C608 H748 N48 O160 P32 Zn32 -","4","1","","Gupta, Sandeep K.; Kalita, Alok Ch; Dar, Aijaz A.; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy","Elusive Double-Eight-Ring Zeolitic Secondary Building Unit.","Journal of the American Chemical Society","2017","139","1","59","62","10.1021/jacs.6b11156","","","0.71075","MoKα","","0.0922","0.0783","","","0.1603","0.168","","","","","","1.125","","","","has coordinates,has disorder","193475","2020-10-21","18:00:00",""
"4125371","24.471","0.004","21.59","0.003","18.982","0.003","90","","90.508","0.003","90","","10028","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H124 F N5 O20 P4 Zn4 -","- C88 H124 F N5 O20 P4 Zn4 -","- C352 H496 F4 N20 O80 P16 Zn16 -","4","0.5","","Gupta, Sandeep K.; Kalita, Alok Ch; Dar, Aijaz A.; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy","Elusive Double-Eight-Ring Zeolitic Secondary Building Unit.","Journal of the American Chemical Society","2017","139","1","59","62","10.1021/jacs.6b11156","","","0.71075","MoKα","","0.0524","0.0502","","","0.1242","0.1258","","","","","","1.081","","","","has coordinates","193475","2020-10-21","18:00:00",""
"4125372","20.1992","0.0019","20.2","0.003","30.891","0.004","87.998","0.009","71.693","0.008","60.233","0.005","10275","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C172 H202 Cl8 N30 O32 P8 Zn8 -","- C172 H202 Cl8 N30 O32 P8 Zn8 -","- C344 H404 Cl16 N60 O64 P16 Zn16 -","2","1","","Gupta, Sandeep K.; Kalita, Alok Ch; Dar, Aijaz A.; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy","Elusive Double-Eight-Ring Zeolitic Secondary Building Unit.","Journal of the American Chemical Society","2017","139","1","59","62","10.1021/jacs.6b11156","","","0.71075","MoKα","","0.0899","0.0766","","","0.1402","0.1468","","","","","","1.181","","","","has coordinates,has disorder","193475","2020-10-21","18:00:00",""
"4125373","26.7213","0.0008","26.7213","0.0008","26.7213","0.0008","90","","90","","90","","19079.8","1","100","2","100","","","","","","","","","7","F m -3 m","-F 4 2 3","225","Re3-MOF","","","- C92.88 H28 Cl0.72 N5.52 O36 Re0.78 Zr6 -","- C92.88 H28 Cl0.72 N5.52 O36 Re0.78 Zr6 -","- C371.52 H112 Cl2.88 N22.08 O144 Re3.12 Zr24 -","4","0.0208333","","Choi, Kyung Min; Kim, Dohyung; Rungtaweevoranit, Bunyarat; Trickett, Christopher A.; Barmanbek, Jesika Trese Deniz; Alshammari, Ahmad S.; Yang, Peidong; Yaghi, Omar M.","Plasmon-Enhanced Photocatalytic CO2 Conversion within Metal-Organic Frameworks under Visible Light.","Journal of the American Chemical Society","2017","139","1","356","362","10.1021/jacs.6b11027","","","0.7749","synchrotron","","0.0732","0.0631","","","0.2151","0.2292","","","","","","1.185","","","","has coordinates,has disorder","193463","2020-10-21","18:00:00",""
"4125374","12.1938","0.0019","12.1954","0.0017","14.403","0.002","95.074","0.008","104.765","0.008","110.31","0.007","1905","0.5","149","2","149","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H36 B Cl2 F10 O2 P -","- C39 H36 B Cl2 F10 O2 P -","- C78 H72 B2 Cl4 F20 O4 P2 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.0756","0.0488","","","0.1124","0.126","","","","","","1.016","","","","has coordinates","193473","2020-10-21","18:00:00",""
"4125375","12.1499","0.0006","12.23","0.0006","14.2517","0.0007","67.943","0.003","72.004","0.003","68.902","0.003","1793.79","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H22 B F10 O2 P -","- C46 H22 B F10 O2 P -","- C92 H44 B2 F20 O4 P2 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.0701","0.0407","","","0.1149","0.1357","","","","","","0.893","","","","has coordinates","193473","2020-10-21","18:00:00",""
"4125376","35.141","0.003","12.6854","0.0011","19.7553","0.0015","90","","110.047","0.007","90","","8272.9","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H30 B F10 O2 P -","- C51 H30 B F10 O2 P -","- C408 H240 B8 F80 O16 P8 -","8","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.0647","0.0446","","","0.1192","0.1363","","","","","","1.066","","","","has coordinates,has disorder","193473","2020-10-21","18:00:00",""
"4125377","11.5384","0.0009","12.434","0.001","14.3574","0.0011","100.016","0.003","103.12","0.003","112.579","0.003","1772.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H22 B F10 O2 P -","- C44 H22 B F10 O2 P -","- C88 H44 B2 F20 O4 P2 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.0977","0.0569","","","0.1442","0.1712","","","","","","1.037","","","","has coordinates","193473","2020-10-21","18:00:00",""
"4125378","11.331","0.003","14.461","0.004","20.313","0.005","79.494","0.014","76.28","0.013","80.221","0.014","3151.2","1.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H40 B2 Cl4 F20 N4 O4 -","- C67.994 H39.988 B2 Cl3.988 F20 N4 O4 -","- C135.988 H79.976 B4 Cl7.976 F40 N8 O8 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1675","0.0804","","","0.198","0.2388","","","","","","1.037","","","","has coordinates,has disorder","193473","2020-10-21","18:00:00",""
"4125379","11.272","0.003","11.615","0.003","12.999","0.003","96.308","0.006","98.573","0.006","109.688","0.006","1560.9","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 B F10 O2 P -","- C36 H26 B F10 O2 P -","- C72 H52 B2 F20 O4 P2 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1565","0.0616","","","0.0965","0.1239","","","","","","1.008","","","","has coordinates","193473","2020-10-21","18:00:00",""
"4125380","11.266","0.013","14.188","0.016","15.869","0.018","93.22","0.03","109.04","0.03","106.77","0.05","2264","5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H26 B Cl4 F10 O2 P -","- C48 H26 B Cl4 F10 O2 P -","- C96 H52 B2 Cl8 F20 O4 P2 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1249","0.081","","","0.2234","0.2545","","","","","","1.121","","","","has coordinates,has disorder","193473","2020-10-21","18:00:00",""
"4125381","20.116","0.006","16.403","0.003","23.728","0.006","90","","90","","90","","7829","3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H38 B Cl2 F10 O2 P -","- C39 H38 B Cl2 F10 O2 P -","- C312 H304 B8 Cl16 F80 O16 P8 -","8","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1362","0.0606","","","0.1333","0.1641","","","","","","1.007","","","","has coordinates","193473","2020-10-21","18:00:00",""
"4125382","14.349","0.002","14.6217","0.0018","21.734","0.003","90","","103.312","0.007","90","","4437.4","1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H33 B Cl2 F10 N2 O2 -","- C48 H33 B Cl2 F10 N2 O2 -","- C192 H132 B4 Cl8 F40 N8 O8 -","4","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1071","0.0507","","","0.1129","0.1443","","","","","","1.018","","","","has coordinates,has disorder","193473","2020-10-21","18:00:00",""
"4125383","11.9389","0.0006","12.3205","0.0007","13.4662","0.0007","75.071","0.003","79.753","0.003","76.984","0.003","1849.57","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H30 B F10 O2 P -","- C45 H30 B F10 O2 P -","- C90 H60 B2 F20 O4 P2 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.0681","0.0477","","","0.1279","0.1407","","","","","","1.023","","","","has coordinates","193473","2020-10-21","18:00:00",""
"4125384","10.1843","0.001","12.478","0.0012","14.2277","0.0013","96.946","0.006","94.317","0.006","113.853","0.005","1626.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H32 B F10 N O3.5 -","- C39 H32 B F10 N O3.5 -","- C78 H64 B2 F20 N2 O7 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1292","0.0521","","","0.1034","0.1285","","","","","","0.99","","","","has coordinates,has disorder","193473","2020-10-21","18:00:00",""
"4125385","17.84","0.002","11.2767","0.0013","18.421","0.002","90","","106.581","0.005","90","","3551.8","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H35 B F10 N2 O2 -","- C40 H35 B F10 N2 O2 -","- C160 H140 B4 F40 N8 O8 -","4","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1573","0.0574","","","0.0962","0.1227","","","","","","1.004","","","","has coordinates,has disorder","193473","2020-10-21","18:00:00",""
"4125386","10.79777","0.00008","18.02876","0.00011","18.36383","0.00014","90","","95.7982","0.0007","90","","3556.6","0.04","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H116 Cl2 Cu N8 O10 -","- C68 H116 Cl2 Cu N8 O10 -","- C136 H232 Cl4 Cu2 N16 O20 -","2","0.5","","Adam, Suzanne M.; Garcia-Bosch, Isaac; Schaefer, Andrew W.; Sharma, Savita K.; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","Critical Aspects of Heme-Peroxo-Cu Complex Structure and Nature of Proton Source Dictate Metal-Operoxo Breakage versus Reductive O-O Cleavage Chemistry.","Journal of the American Chemical Society","2017","139","1","472","481","10.1021/jacs.6b11322","","","1.54178","CuKα","","0.0415","0.0402","","","0.1115","0.1126","","","","","","1.036","","","","has coordinates,has disorder","193466","2020-10-21","18:00:00",""
"4125387","7.2563","0.0007","19.6314","0.0019","8.5775","0.0008","90","","90.146","0.003","90","","1221.9","0.2","102","2","102","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C21 H16 Cl4 Cu F6 N2 O -","- C21 H16 Cl4 Cu F6 N2 O -","- C42 H32 Cl8 Cu2 F12 N4 O2 -","2","0.5","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.0434","0.0355","","","0.0777","0.0809","","","","","","1.072","","","","has coordinates,has disorder","193524","2020-10-21","18:00:00",""
"4125388","12.494","0.003","13.226","0.003","23.435","0.005","90","","104.249","0.003","90","","3753.4","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H37 Cl4 Cu F6 N2 S2 -","- C37 H37 Cl4 Cu F6 N2 S2 -","- C148 H148 Cl16 Cu4 F24 N8 S8 -","4","1","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.0377","0.034","","","0.1145","0.1159","","","","","","1.318","","","","has coordinates,has disorder","193524","2020-10-21","18:00:00",""
"4125389","17.9172","0.0011","17.5654","0.001","25.9568","0.0015","90","","90","","90","","8169.2","0.8","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[Cl2NNF6]Cu(tBuBnSSBntBu)","","- C39 H37 Cl4 Cu F6 N2 S2 -","- C39 H37 Cl4 Cu F6 N2 S2 -","- C312 H296 Cl32 Cu8 F48 N16 S16 -","8","1","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.0474","0.033","","","0.0689","0.0726","","","","","","1.032","","","","has coordinates,has disorder","193524","2020-10-21","18:00:00",""
"4125390","17.958","0.0003","8.561","0.0006","18.156","0.0007","90","","90","","90","","2791.3","0.2","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","FePrPrAmideData3","'FePrPrAmideData3'","","- C23 H47 Fe N4 O2 S2 -","- C23 H47 Fe N4 O2 S2 -","- C92 H188 Fe4 N16 O8 S8 -","4","1","","Villar-Acevedo, Gloria; Lugo-Mas, Priscilla; Blakely, Maike N.; Rees, Julian A.; Ganas, Abbie S.; Hanada, Erin M.; Kaminsky, Werner; Kovacs, Julie A.","Metal-Assisted Oxo Atom Addition to an Fe(III) Thiolate.","Journal of the American Chemical Society","2017","139","1","119","129","10.1021/jacs.6b03512","","","0.71073","MoKα","","0.0868","0.0477","","","0.1075","0.1219","","","","","","0.94","","","","has coordinates","193471","2020-10-21","18:00:00",""
"4125391","25.3369","0.0005","25.3369","0.0005","114.6628","0.0017","90","","90","","120","","63747","2","100","0.1","100","0.1","","","","","","","","8","R -3","-R 3","148","","","","- C379 H345 Ag63 B Cl6 F71.41 P8 S36 -","- C376 H339 Ag63 B0.9999 F71.406 P8 S36 -","- C2256 H2034 Ag378 B5.9994 F428.436 P48 S216 -","6","","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng","Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes.","Journal of the American Chemical Society","2017","139","1","31","34","10.1021/jacs.6b10053","","","1.54184","CuKα","","0.096","0.0688","","","0.1909","0.2078","","","","","","1.054","","","","has coordinates,has disorder","193464","2020-10-21","18:00:00",""
"4125392","25.2879","0.0004","25.2879","0.0004","114.758","0.002","90","","90","","120","","63553.5","1.8","100.01","0.1","100.01","0.1","","","","","","","","6","R -3","-R 3","148","","","","- C315 Ag63 Br F72 P8 S36 -","- C315 Ag63 Br0.9999 F72 P8 S36 -","- C1890 Ag378 Br5.9994 F432 P48 S216 -","6","","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng","Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes.","Journal of the American Chemical Society","2017","139","1","31","34","10.1021/jacs.6b10053","","","1.54184","CuKα","","0.152","0.1246","","","0.3893","0.4101","","","","","","1.09","","","","has coordinates","193464","2020-10-21","18:00:00",""
"4125393","23.5229","0.0002","22.1084","0.0002","30.7227","0.0003","90","","101.956","0.0009","90","","15630.8","0.3","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C256 H294 Ag38 Cl8 F52 P8 S26 -","- C256 H294 Ag38 Cl8 F52 P8 S26 -","- C512 H588 Ag76 Cl16 F104 P16 S52 -","2","0.5","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng","Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes.","Journal of the American Chemical Society","2017","139","1","31","34","10.1021/jacs.6b10053","","","1.54184","CuKα","","0.0693","0.0595","","","0.161","0.1691","","","","","","1.078","","","","has coordinates,has disorder","193464","2020-10-21","18:00:00",""
"4125394","21.5588","0.0018","21.5588","0.0018","21.5588","0.0018","90","","90","","90","","10020.1","1.4","298","","298","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C127.92 H73.12 N27.44 Ni10.24 O21.98 -","- C127.848 H73.056 N27.396 Ni10.283 O21.9684 -","- C127.848 H73.056 N27.396 Ni10.283 O21.9684 -","1","0.0208333","","Lv, Xiu-Liang; Wang, Kecheng; Wang, Bin; Su, Jie; Zou, Xiaodong; Xie, Yabo; Li, Jian-Rong; Zhou, Hong-Cai","A Base-Resistant Metalloporphyrin Metal-Organic Framework for C-H Bond Halogenation.","Journal of the American Chemical Society","2017","139","1","211","217","10.1021/jacs.6b09463","powder diffraction","x-ray","0.45336","Synchrotron","","","","","","","","","0.0199","5.219","","","","","","","has coordinates","193468","2020-10-21","18:00:00",""
"4125395","15.571","0.0011","27.889","0.0019","13.1594","0.0009","90","","93.496","0.001","90","","5704","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 B Cl Ir N3 Si -","- C31 H33 B Cl Ir N3 Si -","- C248 H264 B8 Cl8 Ir8 N24 Si8 -","8","2","","Wang, Guanghui; Liu, Li; Wang, Hong; Ding, You-Song; Zhou, Jing; Mao, Shuai; Li, Pengfei","N,B-Bidentate Boryl Ligand-Supported Iridium Catalyst for Efficient Functional-Group-Directed C-H Borylation.","Journal of the American Chemical Society","2017","139","1","91","94","10.1021/jacs.6b11867","","","0.71073","MoKα","","0.0258","0.02","","","0.0469","0.0493","","","","","","1.052","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4125396","11.047","0.007","11.047","0.007","42.43","0.03","90","","90","","90","","5178","6","296","2","296","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C27 H27 B Cl Ir N3 Si -","- C27 H27 B Cl Ir N3 Si -","- C216 H216 B8 Cl8 Ir8 N24 Si8 -","8","1","","Wang, Guanghui; Liu, Li; Wang, Hong; Ding, You-Song; Zhou, Jing; Mao, Shuai; Li, Pengfei","N,B-Bidentate Boryl Ligand-Supported Iridium Catalyst for Efficient Functional-Group-Directed C-H Borylation.","Journal of the American Chemical Society","2017","139","1","91","94","10.1021/jacs.6b11867","","","0.71073","MoKα","","0.0243","0.0236","","","0.0492","0.0495","","","","","","1.287","","","","has coordinates","193470","2020-10-21","18:00:00",""
"4125397","11.1773","0.0005","12.6727","0.0006","18.2164","0.0011","100.992","0.004","97.611","0.004","91.693","0.003","2506.7","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C21.38 H32.5 B N4 O6.38 -","- C21.375 H32.5 B N4 O6.375 -","- C85.5 H130 B4 N16 O25.5 -","4","4","","Bandyopadhyay, Anupam; Cambray, Samantha; Gao, Jianmin","Fast Diazaborine Formation of Semicarbazide Enables Facile Labeling of Bacterial Pathogens.","Journal of the American Chemical Society","2017","139","2","871","878","10.1021/jacs.6b11115","","","1.54178","CuKα","","0.125","0.0905","","","0.2294","0.2604","","","","","","0.976","","","","has coordinates","193506","2020-10-21","18:00:00",""
"4125398","7.5808","0.0007","8.0566","0.0007","9.5091","0.0009","65.799","0.003","69.047","0.004","67.515","0.003","475.36","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 F4 N3 S2 -","- C8 F4 N3 S2 -","- C16 F8 N6 S4 -","2","1","","Beldjoudi, Yassine; Arauzo, Ana; Palacio, Fernando; Pilkington, Melanie; Rawson, Jeremy M.","Studies on a ""Disappearing Polymorph"": Thermal and Magnetic Characterization of α-p-NCC6F4CNSSN(•).","Journal of the American Chemical Society","2016","138","51","16779","16786","10.1021/jacs.6b10707","","","0.71073","MoKα","","0.0671","0.0628","","","0.1833","0.1865","","","","","","1.207","","","","has coordinates","189857","2020-10-21","18:00:00",""
"4125399","7.7121","0.0012","8.0974","0.0013","9.705","0.0016","65.868","0.009","67.908","0.009","67.474","0.009","493.28","0.14","323","2","323","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 F4 N3 S2 -","- C8 F4 N3 S2 -","- C16 F8 N6 S4 -","2","1","","Beldjoudi, Yassine; Arauzo, Ana; Palacio, Fernando; Pilkington, Melanie; Rawson, Jeremy M.","Studies on a ""Disappearing Polymorph"": Thermal and Magnetic Characterization of α-p-NCC6F4CNSSN(•).","Journal of the American Chemical Society","2016","138","51","16779","16786","10.1021/jacs.6b10707","","","0.71073","MoKα","","0.0656","0.061","","","0.1399","0.1421","","","","","","1.294","","","","has coordinates","189857","2020-10-21","18:00:00",""
"4125400","7.755","0.008","8.128","0.012","9.746","0.015","65.67","0.11","67.56","0.09","67.47","0.08","498.4","1.3","343","2","343","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 F4 N3 S2 -","- C8 F4 N3 S2 -","- C16 F8 N6 S4 -","2","1","","Beldjoudi, Yassine; Arauzo, Ana; Palacio, Fernando; Pilkington, Melanie; Rawson, Jeremy M.","Studies on a ""Disappearing Polymorph"": Thermal and Magnetic Characterization of α-p-NCC6F4CNSSN(•).","Journal of the American Chemical Society","2016","138","51","16779","16786","10.1021/jacs.6b10707","","","0.71073","MoKα","","0.0814","0.0752","","","0.2008","0.2054","","","","","","1.185","","","","has coordinates","189857","2020-10-21","18:00:00",""
"4125401","8.0412","0.0003","11.639","0.0005","11.9019","0.0005","102.909","0.003","99.46","0.003","101.377","0.003","1038.8","0.08","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H56 Si2 -","- C50 H56 Si2 -","- C50 H56 Si2 -","1","0.5","","Frederickson, Conerd K.; Zakharov, Lev N.; Haley, Michael M.","Modulating Paratropicity Strength in Diareno-Fused Antiaromatics.","Journal of the American Chemical Society","2016","138","51","16827","16838","10.1021/jacs.6b11397","","","1.54178","CuKα","","0.0559","0.0477","","","0.1292","0.137","","","","","","1.042","","","","has coordinates","189858","2020-10-21","18:00:00",""
"4125402","8.0881","0.0005","25.6677","0.0015","10.3505","0.0006","90","","104.61","0.004","90","","2079.3","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 Si2 -","- C50 H56 Si2 -","- C100 H112 Si4 -","2","0.5","","Frederickson, Conerd K.; Zakharov, Lev N.; Haley, Michael M.","Modulating Paratropicity Strength in Diareno-Fused Antiaromatics.","Journal of the American Chemical Society","2016","138","51","16827","16838","10.1021/jacs.6b11397","","","1.54178","CuKα","","0.1168","0.0627","","","0.1389","0.1628","","","","","","1.053","","","","has coordinates","189859","2020-10-21","18:00:00",""
"4125403","11.2015","0.001","12.9974","0.0012","18.0731","0.0016","90","","104.897","0.001","90","","2542.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[MeO2NN]Cu-tol","","- C28 H33 Cu N2 O4 -","- C28 H33 Cu N2 O4 -","- C112 H132 Cu4 N8 O16 -","4","1","","Salvador, Tolani K.; Arnett, Charles H.; Kundu, Subrata; Sapiezynski, Nicholas G.; Bertke, Jeffery A.; Raghibi Boroujeni, Mahdi; Warren, Timothy H.","Copper Catalyzed sp(3) C-H Etherification with Acyl Protected Phenols.","Journal of the American Chemical Society","2016","138","51","16580","16583","10.1021/jacs.6b09057","","","0.71073","MoKα","","0.0689","0.0634","","","0.1962","0.1992","","","","","","1.05","","","","has coordinates,has disorder","189860","2020-10-21","18:00:00",""
"4125404","13.8733","0.0005","19.3641","0.0007","26.6621","0.0009","90","","90.73","0.002","90","","7162","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[MeO2NN]CuOtBu","","- C33 H52 Cu N2 O7 -","- C33 H52 Cu N2 O7 -","- C264 H416 Cu8 N16 O56 -","8","2","","Salvador, Tolani K.; Arnett, Charles H.; Kundu, Subrata; Sapiezynski, Nicholas G.; Bertke, Jeffery A.; Raghibi Boroujeni, Mahdi; Warren, Timothy H.","Copper Catalyzed sp(3) C-H Etherification with Acyl Protected Phenols.","Journal of the American Chemical Society","2016","138","51","16580","16583","10.1021/jacs.6b09057","","","0.71073","MoKα","","0.1322","0.061","","","0.1307","0.1596","","","","","","1.04","","","","has coordinates,has disorder","189861","2020-10-21","18:00:00",""
"4125405","11.4951","0.0008","6.5903","0.0005","12.7868","0.0009","90","","105.513","0.003","90","","933.39","0.12","296.15","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O5 -","- C20 H34 O5 -","- C40 H68 O10 -","2","1","","Rudolf, Jeffrey D.; Dong, Liao-Bin; Manoogian, Karina; Shen, Ben","Biosynthetic Origin of the Ether Ring in Platensimycin.","Journal of the American Chemical Society","2016","138","51","16711","16721","10.1021/jacs.6b09818","","","0.71073","MoKα","","0.0548","0.0473","","","0.1201","0.1266","","","","","","1.062","","","","has coordinates","189862","2020-10-21","18:00:00",""
"4125406","20.1406","0.0012","23.222","0.0012","23.1156","0.0014","90","","108.643","0.004","90","","10244","1","123","","123","","","","","","","","L. Bueldt","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H140 Cr N6 O -","- C112 H140 Cr N6 O -","- C448 H560 Cr4 N24 O4 -","4","1","","Büldt, Laura A; Guo, Xingwei; Vogel, Raphael; Prescimone, Alessandro; Wenger, Oliver S.","A Tris(diisocyanide)chromium(0) Complex Is a Luminescent Analog of Fe(2,2'-Bipyridine)3(2).","Journal of the American Chemical Society","2017","139","2","985","992","10.1021/jacs.6b11803","","","1.5418","CuKα","","0.2181","0.0836","","0.3329","0.211","0.3327","","","","","","1.0288","","","","has coordinates","193507","2020-10-21","18:00:00",""
"4125407","16.834","0.002","31.679","0.004","19.255","0.002","90","","106.808","0.0015","90","","9830","2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[SbPd12Sb20]-cluster","","- C55 H136 N7 O0 P3 Pd12 Sb21 -","- C48.004 H108.009 P3 Pd12 Sb21 -","- C192.016 H432.036 P12 Pd48 Sb84 -","4","1","","Wang, Yi; Moses-DeBusk, Melanie; Stevens, Lauren; Hu, Junkai; Zavalij, Peter; Bowen, Kit; Dunlap, Brett I.; Glaser, Evan R.; Eichhorn, Bryan","Sb@Ni12@Sb20(-/+) and Sb@Pd12@Sb20(n) Cluster Anions, Where n = +1, -1, -3, -4: Multi-Oxidation-State Clusters of Interpenetrating Platonic Solids.","Journal of the American Chemical Society","2017","139","2","619","622","10.1021/jacs.6b12109","","","0.71073","MoKα","","0.1078","0.0627","","","0.1383","0.156","","","","","","1.149","","","","has coordinates,has disorder","193505","2020-10-21","18:00:00",""
"4125408","19.3446","0.0017","20.8536","0.0018","19.6141","0.0018","90","","117.117","0.0014","90","","7042.7","1.1","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Pd12Sn21 cluster","","- C92 H176 P4 Pd12 Sb21 -","- C64 H144 P4 Pd12 Sb21 -","- C128 H288 P8 Pd24 Sb42 -","2","0.25","","Wang, Yi; Moses-DeBusk, Melanie; Stevens, Lauren; Hu, Junkai; Zavalij, Peter; Bowen, Kit; Dunlap, Brett I.; Glaser, Evan R.; Eichhorn, Bryan","Sb@Ni12@Sb20(-/+) and Sb@Pd12@Sb20(n) Cluster Anions, Where n = +1, -1, -3, -4: Multi-Oxidation-State Clusters of Interpenetrating Platonic Solids.","Journal of the American Chemical Society","2017","139","2","619","622","10.1021/jacs.6b12109","","","0.71073","MoKα","","0.075","0.0594","","","0.1278","0.1328","","","","","","1.067","","","","has coordinates,has disorder","193505","2020-10-21","18:00:00",""
"4125409","13.5312","0.0006","7.1004","0.0003","24.8852","0.0011","90","","100.262","0.0007","90","","2352.65","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 I N2 -","- C27 H27 I N2 -","- C108 H108 I4 N8 -","4","1","","Catalano, Luca; Perez-Estrada, Salvador; Wang, Hsin-Hua; Ayitou, Anoklase J.-L.; Khan, Saeed I.; Terraneo, Giancarlo; Metrangolo, Pierangelo; Brown, Stuart; Garcia-Garibay, Miguel A","Rotational Dynamics of Diazabicyclo[2.2.2]octane in Isomorphous Halogen-Bonded Co-crystals: Entropic and Enthalpic Effects.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b10780","","","0.71073","MoKα","","0.0351","0.0258","","","0.0623","0.0671","","","","","","1.019","","","","has coordinates,has disorder","190014","2020-10-21","18:00:00",""
"4125410","10.387","0.003","12.581","0.003","17.001","0.004","74.868","0.006","75.734","0.006","68.376","0.006","1965.6","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H44 Cl10 Rh2 -","- C34 H44 Cl10 Rh2 -","- C68 H88 Cl20 Rh4 -","2","1","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.1257","0.0529","","","0.1135","0.1694","","","","","","0.984","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125411","8.8158","0.0003","10.8021","0.0004","15.834","0.0006","90","","99.18","0.0016","90","","1488.55","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Cl4 Rh2 Si2 -","- C24 H42 Cl4 Rh2 Si2 -","- C48 H84 Cl8 Rh4 Si4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0538","0.0332","","","0.0813","0.1181","","","","","","1.186","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125412","8.7569","0.0006","17.2308","0.0012","20.2703","0.0014","107.469","0.0016","90.3607","0.0016","98.5771","0.0016","2880.6","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 Cl4 Rh2 -","- C30 H34 Cl4 Rh2 -","- C120 H136 Cl16 Rh8 -","4","2","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0352","0.0255","","","0.0683","0.0827","","","","","","1.145","","","","has coordinates,has disorder","193520","2020-10-21","18:00:00",""
"4125413","22.258","0.003","12.0838","0.0016","32.954","0.004","90","","94.378","0.003","90","","8837","2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H42 Cl4 Rh2 -","- C26 H42 Cl4 Rh2 -","- C312 H504 Cl48 Rh24 -","12","1.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0774","0.0435","","","0.0705","0.0787","","","","","","1.054","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125414","16.2813","0.0007","16.6938","0.0007","13.754","0.0006","90","","106.587","0.0017","90","","3582.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Cl13 Rh2 -","- C23 H33 Cl13 Rh2 -","- C92 H132 Cl52 Rh8 -","4","1","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0519","0.0307","","","0.0766","0.0927","","","","","","1.067","","","","has coordinates,has disorder","193520","2020-10-21","18:00:00",""
"4125415","7.69","0.0006","11.9817","0.0009","16.7847","0.0012","90","","100.257","0.002","90","","1521.8","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Cl4 Rh2 -","- C30 H46 Cl4 Rh2 -","- C60 H92 Cl8 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0566","0.0375","","","0.0775","0.0851","","","","","","1.022","","","","has coordinates,has disorder","193520","2020-10-21","18:00:00",""
"4125416","8.6256","0.0004","8.6786","0.0004","20.448","0.001","90","","90.4595","0.0015","90","","1530.65","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Cl4 Rh2 -","- C32 H38 Cl4 Rh2 -","- C64 H76 Cl8 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0336","0.0235","","","0.0679","0.0898","","","","","","1.272","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125417","37.104","0.003","8.7364","0.0007","20.2317","0.0017","90","","107.84","0.004","90","","6242.9","0.9","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 Cl4 O2 Rh2 -","- C32 H38 Cl4 O2 Rh2 -","- C256 H304 Cl32 O16 Rh16 -","8","1","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0502","0.0375","","","0.112","0.1424","","","","","","1.193","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125418","9.6416","0.0007","12.1709","0.0008","12.2625","0.0008","98.803","0.003","101.711","0.003","91.939","0.003","1389.28","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 Cl10 Rh2 -","- C20 H24 Cl10 Rh2 -","- C40 H48 Cl20 Rh4 -","2","1","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.041","0.0282","","","0.0725","0.0961","","","","","","1.152","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125419","28.244","0.003","28.244","0.003","8.1899","0.0011","90","","90","","120","","5658","1.1","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H24 Cl4 F6 Rh2 -","- C20 H24 Cl4 F6 Rh2 -","- C180 H216 Cl36 F54 Rh18 -","9","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0567","0.033","","","0.0689","0.0868","","","","","","1.105","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125420","14.185","0.0005","7.9695","0.0003","20.6751","0.0007","90","","102.411","0.0013","90","","2282.64","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl10 F10 Rh2 -","- C32 H26 Cl10 F10 Rh2 -","- C64 H52 Cl20 F20 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.099","0.0495","","","0.1234","0.1631","","","","","","1.042","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125421","8.9257","0.0003","7.2269","0.0003","16.0203","0.0006","90","","101.235","0.0014","90","","1013.59","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Cl4 Rh2 -","- C18 H26 Cl4 Rh2 -","- C36 H52 Cl8 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0264","0.0196","","","0.0569","0.0768","","","","","","1.333","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125422","9.8019","0.0004","6.9703","0.0003","13.8154","0.0007","90","","104.652","0.003","90","","913.2","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl4 Rh2 -","- C16 H22 Cl4 Rh2 -","- C32 H44 Cl8 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0472","0.0302","","","0.0578","0.0638","","","","","","1.04","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125423","8.32","0.002","8.922","0.002","9.425","0.003","102.237","0.009","106.68","0.008","94.698","0.009","647.3","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H38 Cl4 Rh2 -","- C24 H38 Cl4 Rh2 -","- C24 H38 Cl4 Rh2 -","1","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0511","0.035","","","0.0746","0.0926","","","","","","1.056","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125424","14.9273","0.0003","15.2598","0.0003","16.0016","0.0004","102.193","0.0011","115.757","0.001","95.4782","0.0011","3135.34","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H32 Cl6 Rh1.5 -","- C33 H32 Cl6 Rh1.5 -","- C132 H128 Cl24 Rh6 -","4","2","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0983","0.0489","","","0.1118","0.1584","","","","","","1.079","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125425","7.2985","0.0005","23.3122","0.0016","9.2025","0.0006","90","","109.431","0.003","90","","1476.57","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl10 Rh2 -","- C22 H28 Cl10 Rh2 -","- C44 H56 Cl20 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0931","0.0601","","","0.1543","0.1797","","","","","","1.081","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125426","8.5293","0.0007","10.5886","0.0008","15.2966","0.0012","90","","97.5113","0.0016","90","","1369.63","0.19","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Cl4 Rh2 -","- C26 H42 Cl4 Rh2 -","- C52 H84 Cl8 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0607","0.0385","","","0.0741","0.0829","","","","","","1.015","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125427","8.6286","0.0003","11.6386","0.0004","17.4135","0.0006","90","","100.959","0.002","90","","1716.86","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 Cl4 Rh2 -","- C40 H38 Cl4 Rh2 -","- C80 H76 Cl8 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.066","0.0378","","","0.0664","0.0736","","","","","","1.034","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125428","8.8891","0.0007","9.1965","0.0007","11.9521","0.001","86.86","0.003","85.063","0.003","72.177","0.003","926.31","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cl4 F12 Rh2 -","- C34 H30 Cl4 F12 Rh2 -","- C34 H30 Cl4 F12 Rh2 -","1","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0274","0.0241","","","0.074","0.0837","","","","","","1.269","","","","has coordinates,has disorder","193520","2020-10-21","18:00:00",""
"4125429","27.0507","0.0015","9.8673","0.0005","11.7807","0.0006","90","","112.954","0.004","90","","2895.5","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 Cl4 Rh2 -","- C28 H42 Cl4 Rh2 -","- C112 H168 Cl16 Rh8 -","4","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0664","0.0419","","","0.1012","0.1321","","","","","","1.127","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125430","5.846","0.0004","14.9613","0.0009","16.7311","0.0012","90","","90","","90","","1463.36","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-JML-95","","","- C19 H21 N -","- C19 H21 N -","- C76 H84 N4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","","0.71073","MoKα","","0.0455","0.0415","","","0.102","0.1051","","","","","","1.022","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125431","6.7725","0.0007","13.8233","0.0013","11.1737","0.0018","90","","90","","90","","1046.1","0.2","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H10 F2 O2 S -","- C11 H10 F2 O2 S -","- C44 H40 F8 O8 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","","0.71073","MoKα","","0.0386","0.0308","","","0.0765","0.0822","","","","","","1.0374","","","","has coordinates,has disorder","278046","2022-09-21","15:45:41",""
"4125432","26.797","0.004","8.5062","0.0012","5.7903","0.0009","90","","90","","90","","1319.8","0.3","100","2","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H21 N -","- C16 H21 N -","- C64 H84 N4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0552","0.0485","","","0.1193","0.1258","","","","","","1.044","","","","has coordinates,has disorder","193491","2020-10-21","18:00:00",""
"4125433","6.6458","0.0002","8.1522","0.0003","48.228","0.0015","90","","90","","90","","2612.89","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 F3 O4 S -","- C30 H33 F3 O4 S -","- C120 H132 F12 O16 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","1.54178","CuKα","","0.0414","0.0391","","","0.0953","0.0968","","","","","","1.047","","","","has coordinates,has disorder","193491","2020-10-21","18:00:00",""
"4125434","10.4069","0.0003","12.6398","0.0004","13.3704","0.0004","90","","90","","90","","1758.76","0.09","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br F2 O4 S -","- C18 H15 Br F2 O4 S -","- C72 H60 Br4 F8 O16 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0355","0.0315","","","0.0775","0.0797","","","","","","1.031","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125435","63.0115","0.0019","6.0061","0.0002","9.4791","0.0003","90","","98.186","0.001","90","","3550.8","0.2","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H21 F2 N O2 S -","- C20 H21 F2 N O2 S -","- C160 H168 F16 N8 O16 S8 -","8","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","1.54178","CuKα","","0.0401","0.038","","","0.0984","0.1003","","","","","","1.064","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125436","9.6649","0.0015","5.7972","0.0009","25.224","0.004","90","","99.212","0.004","90","","1395.1","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 F2 O5 S2 -","- C12 H14 F2 O5 S2 -","- C48 H56 F8 O20 S8 -","4","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","K-L~3~","0.0389","0.0334","","","0.0731","0.0762","","","","","","1.022","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125437","7.8306","0.0011","5.4318","0.0007","20.139","0.003","90","","98.442","0.006","90","","847.3","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 F2 O3 S2 -","- C18 H18 F2 O3 S2 -","- C36 H36 F4 O6 S4 -","2","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","1.54184","CuKα","","0.0272","0.0269","","","0.0673","0.0675","","","","","","1.055","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125438","6.7965","0.0003","11.0812","0.0005","13.9075","0.0005","90","","90","","90","","1047.42","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 F2 O2 S -","- C11 H10 F2 O2 S -","- C44 H40 F8 O8 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0319","0.0307","","","0.0797","0.0814","","","","","","1.028","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125439","10.9261","0.0007","5.0669","0.0003","14.3346","0.0009","90","","107.161","0.002","90","","758.25","0.08","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H15 F3 N2 O2 S -","- C15 H15 F3 N2 O2 S -","- C30 H30 F6 N4 O4 S2 -","2","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0302","0.0278","","","0.0649","0.0664","","","","","","1.049","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125440","9.5529","0.0003","5.9734","0.0002","35.8785","0.0011","90","","90.348","0.002","90","","2047.31","0.11","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H26 F2 N2 O2 S -","- C22 H26 F2 N2 O2 S -","- C88 H104 F8 N8 O8 S4 -","4","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","1.54178","CuKα","","0.0579","0.046","","","0.1033","0.1088","","","","","","1.028","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125441","12.86","0.004","12.175","0.004","18.825","0.007","90","","107.91","0.02","90","","2804.6","1.7","101","2","101","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H44 B N2 -","- C31 H44 B N2 -","- C124 H176 B4 N8 -","4","1","","Braunschweig, Holger; Krummenacher, Ivo; Légaré, Marc-André; Matler, Alexander; Radacki, Krzysztof; Ye, Qing","Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron.","Journal of the American Chemical Society","2017","139","5","1802","1805","10.1021/jacs.6b13047","","","0.71073","MoKα","","0.0971","0.0551","","","0.1277","0.1553","","","","","","1.027","","","","has coordinates","193492","2020-10-21","18:00:00",""
"4125442","9.154","0.004","9.287","0.004","18.066","0.007","101.655","0.009","90.463","0.008","114.635","0.009","1359.9","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H44 B N O -","- C31 H44 B N O -","- C62 H88 B2 N2 O2 -","2","1","","Braunschweig, Holger; Krummenacher, Ivo; Légaré, Marc-André; Matler, Alexander; Radacki, Krzysztof; Ye, Qing","Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron.","Journal of the American Chemical Society","2017","139","5","1802","1805","10.1021/jacs.6b13047","","","0.71073","MoKα","","0.0515","0.0425","","","0.1063","0.1128","","","","","","1.079","","","","has coordinates","193492","2020-10-21","18:00:00",""
"4125443","10.421","0.002","19.936","0.006","14.992","0.005","90","","92.682","0.015","90","","3111.2","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H52 B N3 -","- C35 H52 B N3 -","- C140 H208 B4 N12 -","4","1","","Braunschweig, Holger; Krummenacher, Ivo; Légaré, Marc-André; Matler, Alexander; Radacki, Krzysztof; Ye, Qing","Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron.","Journal of the American Chemical Society","2017","139","5","1802","1805","10.1021/jacs.6b13047","","","0.71073","MoKα","","0.0472","0.0402","","","0.103","0.1096","","","","","","1.026","","","","has coordinates","193492","2020-10-21","18:00:00",""
"4125444","9.803","0.007","10.599","0.006","14.676","0.01","82.401","0.015","88.02","0.02","85.37","0.02","1506.1","1.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H49 B N2 -","- C35 H49 B N2 -","- C70 H98 B2 N4 -","2","1","","Braunschweig, Holger; Krummenacher, Ivo; Légaré, Marc-André; Matler, Alexander; Radacki, Krzysztof; Ye, Qing","Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron.","Journal of the American Chemical Society","2017","139","5","1802","1805","10.1021/jacs.6b13047","","","0.71073","MoKα","","0.0842","0.0506","","","0.1101","0.1244","","","","","","1.025","","","","has coordinates","193492","2020-10-21","18:00:00",""
"4125445","17.216","0.006","9.185","0.003","17.525","0.006","90","","110.02","0.02","90","","2603.8","1.6","119","2","119","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C30 H44 B N -","- C30 H44 B N -","- C120 H176 B4 N4 -","4","1","","Braunschweig, Holger; Krummenacher, Ivo; Légaré, Marc-André; Matler, Alexander; Radacki, Krzysztof; Ye, Qing","Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron.","Journal of the American Chemical Society","2017","139","5","1802","1805","10.1021/jacs.6b13047","","","0.71073","MoKα","","0.0691","0.0478","","","0.1124","0.1223","","","","","","1.024","","","","has coordinates,has disorder","193492","2020-10-21","18:00:00",""
"4125446","41.0408","0.0002","41.0408","0.0002","41.0408","0.0002","90","","90","","90","","69127","0.6","150","2","150","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C48 H32 Cl2 Fe6 O30 -","- C48 H32.0016 Cl1.9998 Fe6 O30.0002 -","- C768 H512.026 Cl31.9968 Fe96 O480.003 -","16","0.0833333","","Shen, Jian-Qiang; Liao, Pei-Qin; Zhou, Dong-Dong; He, Chun-Ting; Wu, Jun-Xi; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Modular and Stepwise Synthesis of a Hybrid Metal-Organic Framework for Efficient Electrocatalytic Oxygen Evolution.","Journal of the American Chemical Society","2017","139","5","1778","1781","10.1021/jacs.6b12353","","","1.54178","CuKα","","0.0792","0.0676","","","0.2057","0.2198","","","","","","1.085","","","","has coordinates,has disorder","193493","2020-10-21","18:00:00",""
"4125447","41.5406","0.0002","41.5406","0.0002","41.5406","0.0002","90","","90","","90","","71683.4","0.6","150","2","150","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C84 H52 Co3 Fe6 N6 O41 -","- C84 H51.9984 Co3 Fe6 N6 O41.0001 -","- C1344 H831.974 Co48 Fe96 N96 O656.002 -","16","0.0833333","","Shen, Jian-Qiang; Liao, Pei-Qin; Zhou, Dong-Dong; He, Chun-Ting; Wu, Jun-Xi; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Modular and Stepwise Synthesis of a Hybrid Metal-Organic Framework for Efficient Electrocatalytic Oxygen Evolution.","Journal of the American Chemical Society","2017","139","5","1778","1781","10.1021/jacs.6b12353","","","1.54178","CuKα","","0.0521","0.047","","","0.1499","0.1545","","","","","","1.08","","","","has coordinates,has disorder","193493","2020-10-21","18:00:00",""
"4125448","41.5308","0.0002","41.5308","0.0002","41.5308","0.0002","90","","90","","90","","71632.6","0.6","150","2","150","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C84 H56 Co9 N6 O41 -","- C84 H56 Co9 N6 O41 -","- C1344 H896 Co144 N96 O656 -","16","0.0833333","","Shen, Jian-Qiang; Liao, Pei-Qin; Zhou, Dong-Dong; He, Chun-Ting; Wu, Jun-Xi; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Modular and Stepwise Synthesis of a Hybrid Metal-Organic Framework for Efficient Electrocatalytic Oxygen Evolution.","Journal of the American Chemical Society","2017","139","5","1778","1781","10.1021/jacs.6b12353","","","1.54178","CuKα","","0.0673","0.0627","","","0.1965","0.201","","","","","","1.083","","","","has coordinates","193493","2020-10-21","18:00:00",""
"4125449","12.5748","0.0009","5.6465","0.0004","21.2806","0.0016","90","","97.453","0.004","90","","1498.23","0.19","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H24 Br3 N O9 -","- C30 H24 Br3 N O9 -","- C60 H48 Br6 N2 O18 -","2","1","","Sanhueza, Carlos A.; Baksh, Michael M.; Thuma, Benjamin; Roy, Marc D.; Dutta, Sanjay; Préville, Cathy; Chrunyk, Boris A.; Beaumont, Kevin; Dullea, Robert; Ammirati, Mark; Liu, Shenping; Gebhard, David; Finley, James E.; Salatto, Christopher T.; King-Ahmad, Amanda; Stock, Ingrid; Atkinson, Karen; Reidich, Benjamin; Lin, Wen; Kumar, Rajesh; Tu, Meihua; Menhaji-Klotz, Elnaz; Price, David A.; Liras, Spiros; Finn, M. G.; Mascitti, Vincent","Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor.","Journal of the American Chemical Society","2017","139","9","3528","3536","10.1021/jacs.6b12964","","","1.54178","CuKα","","0.0589","0.0563","","","0.1658","0.1701","","","","","","1.031","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4125450","9.157","0.0003","9.4895","0.0003","20.4389","0.0006","93.5118","0.0009","100.858","0.0009","97.4709","0.001","1722.72","0.09","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H35 Cl6 N3 O6 S -","- C32 H35 Cl6 N3 O6 S -","- C64 H70 Cl12 N6 O12 S2 -","2","2","","Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J","Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.","Journal of the American Chemical Society","2017","139","6","2216","2223","10.1021/jacs.6b08219","","","0.71073","MoKα","","0.0403","0.0353","","","0.0909","0.1049","","","","","","1.086","","","","has coordinates,has disorder","193508","2020-10-21","18:00:00",""
"4125451","14.3182","0.0013","7.3622","0.0007","15.3001","0.0013","90","","91.8438","0.0018","90","","1612","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 N2 O3 S -","- C16 H24 N2 O3 S -","- C64 H96 N8 O12 S4 -","4","1","","Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J","Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.","Journal of the American Chemical Society","2017","139","6","2216","2223","10.1021/jacs.6b08219","","","0.7107","MoKα","","0.0415","0.0313","","","0.0936","0.104","","","","","","1.137","","","","has coordinates","193508","2020-10-21","18:00:00",""
"4125452","10.6749","0.0006","8.3751","0.0005","23.18","0.0013","90","","100.208","0.002","90","","2039.6","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 B O3 -","- C23 H29 B O3 -","- C92 H116 B4 O12 -","4","1","","Benoit, Guillaume; Charette, André B","Diastereoselective Borocyclopropanation of Allylic Ethers Using a Boromethylzinc Carbenoid.","Journal of the American Chemical Society","2017","139","4","1364","1367","10.1021/jacs.6b09090","","x-ray","1.54178","CuKα","","0.0342","0.0323","","","0.0828","0.0844","","","","","","1.052","","","","has coordinates","193498","2020-10-21","18:00:00",""
"4125453","10.4158","0.0003","12.3181","0.0004","20.3632","0.0007","90","","90","","90","","2612.66","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 Br O6 -","- C32 H27 Br O6 -","- C128 H108 Br4 O24 -","4","1","","Zhao, Guoqing; Xu, Guangqing; Qian, Chao; Tang, Wenjun","Efficient Enantioselective Syntheses of (+)-Dalesconol A and B.","Journal of the American Chemical Society","2017","139","9","3360","3363","10.1021/jacs.7b00783","","","1.54178","CuKα","","0.0628","0.0408","","","0.0871","0.0966","","","","","","1.022","","","","has coordinates","194836","2020-10-21","18:00:00",""
"4125454","12.043","0.005","14.846","0.006","15.764","0.007","71.267","0.007","78.309","0.007","78.41","0.007","2585.6","1.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H55 F6 N5 O15 Rh2 S2 -","- C45 H55 F6 N5 O15 Rh2 S2 -","- C90 H110 F12 N10 O30 Rh4 S4 -","2","1","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","0.71073","MoKα","","0.1626","0.1094","","","0.2769","0.3513","","","","","","1.211","","","","has coordinates","193499","2020-10-21","18:00:00",""
"4125455","15.5584","0.0017","25.541","0.003","25.687","0.003","90","","107.332","0.002","90","","9744","1.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H92 F12 N8 O28 Rh4 S4 -","- C81 H76 F12 N8 O25 Rh4 S4 -","- C324 H304 F48 N32 O100 Rh16 S16 -","4","1","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","0.71073","MoKα","","0.1365","0.0832","","","0.2396","0.2717","","","","","","1.023","","","","has coordinates,has disorder","193499","2020-10-21","18:00:00",""
"4125456","14.412","0.002","20.181","0.004","21.21","0.004","92.724","0.003","95.238","0.003","95.152","0.003","6108.7","1.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H92 F12 N8 O26 Rh4 S4 -","- C91 H84 F6 N8 O19 Rh4 S2 -","- C182 H168 F12 N16 O38 Rh8 S4 -","2","1","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","0.71073","MoKα","","0.1486","0.0902","","","0.2383","0.2692","","","","","","0.929","","","","has coordinates","193499","2020-10-21","18:00:00",""
"4125457","16.0557","0.0014","35.685","0.003","21.5588","0.0018","90","","109.033","0.001","90","","11676.8","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C105 H111 F12 N8 O30 Rh4 S4 -","- C102 H89 F12 N8 O26 Rh4 S4 -","- C408 H356 F48 N32 O104 Rh16 S16 -","4","1","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","0.71073","MoKα","","0.0918","0.0663","","","0.1786","0.1921","","","","","","1.042","","","","has coordinates,has disorder","193499","2020-10-21","18:00:00",""
"4125458","40.736","0.003","14.9836","0.0011","24.2513","0.0018","90","","117.182","0.001","90","","13167.5","1.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C108 H118 F12 N8 O27 Rh4 S4 -","- C104 H108 F12 N8 O26 Rh4 S4 -","- C416 H432 F48 N32 O104 Rh16 S16 -","4","0.5","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","0.71073","MoKα","","0.0816","0.0526","","","0.1469","0.1608","","","","","","0.957","","","","has coordinates","193499","2020-10-21","18:00:00",""
"4125459","23.8258","0.0009","27.4343","0.001","40.6296","0.0016","93.922","0.002","104.442","0.002","111.411","0.002","23565.8","1.6","173","2","173","","","","","","","","","7","P -1","-P 1","2","","","","- C120.33 H147.33 F12 N12 O41.33 Rh4 S4 -","- C111.333 H110 F5 N12 O25.6667 Rh4 S1.66667 -","- C668 H660 F30 N72 O154 Rh24 S10 -","6","3","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","1.54178","CuKα","","0.1647","0.131","","","0.3683","0.4091","","","","","","1.488","","","","has coordinates,has disorder","193499","2020-10-21","18:00:00",""
"4125460","20.056","0.003","20.982","0.003","20.994","0.003","67.29","0.002","69.595","0.002","64.503","0.002","7177.1","1.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C145 H143 F12 N8 O32 Ru4 S4 -","- C138 H109 F9 N8 O25 Ru4 S3 -","- C276 H218 F18 N16 O50 Ru8 S6 -","2","1","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","0.71073","MoKα","","0.1846","0.1064","","","0.288","0.3474","","","","","","1.045","","","","has coordinates,has disorder","193499","2020-10-21","18:00:00",""
"4125461","27.5131","0.0009","16.0386","0.0005","34.0114","0.0011","90","","112.28","0.001","90","","13887.8","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C116 H144 F12 N8 O38 Rh4 S4 -","- C105 H96 F9 N8 O23 Rh4 S3 -","- C420 H384 F36 N32 O92 Rh16 S12 -","4","1","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","1.54178","CuKα","","0.0818","0.0705","","","0.2045","0.2152","","","","","","1.082","","","","has coordinates,has disorder","193499","2020-10-21","18:00:00",""
"4125462","19.3696","0.0002","15.3999","0.0001","24.2089","0.0002","90","","94.022","0.001","90","","7203.49","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H67 Br N25 O12 -","- C48 H67 Br N25 O12 -","- C192 H268 Br4 N100 O48 -","4","1","","Fiala, Tomas; Ludvíková, Lucie; Heger, Dominik; Švec, Jan; Slanina, Tomáš; Vetráková, L'ubica; Babiak, Michal; Nečas, Marek; Kulhánek, Petr; Klán, Petr; Sindelar, Vladimir","Bambusuril as a One-Electron Donor for Photoinduced Electron Transfer to Methyl Viologen in Mixed Crystals.","Journal of the American Chemical Society","2017","139","7","2597","2603","10.1021/jacs.6b08589","","","0.71073","MoKα","","0.0584","0.0548","","","0.1541","0.1574","","","","","","1.042","","","","has coordinates","193514","2020-10-21","18:00:00",""
"4125463","10.1842","0.001","22.035","0.002","6.8426","0.0006","90","","99.143","0.003","90","","1516","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","","Petrone, David A.; Franzoni, Ivan; Ye, Juntao; Rodríguez, José F; Poblador-Bahamonde, Amalia I; Lautens, Mark","Palladium-Catalyzed Hydrohalogenation of 1,6-Enynes: Hydrogen Halide Salts and Alkyl Halides as Convenient HX Surrogates.","Journal of the American Chemical Society","2017","139","9","3546","3557","10.1021/jacs.7b00482","","","0.71073","MoKα","","0.0596","0.0388","","","0.0842","0.0952","","","","","","1.027","","","","has coordinates","194837","2020-10-21","18:00:00",""
"4125464","6.4581","0.001","20.914","0.003","12.284","0.002","90","","95.867","0.005","90","","1650.4","0.4","147","2","147","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 Br N O2 -","- C17 H22 Br N O2 -","- C68 H88 Br4 N4 O8 -","4","1","","Petrone, David A.; Franzoni, Ivan; Ye, Juntao; Rodríguez, José F; Poblador-Bahamonde, Amalia I; Lautens, Mark","Palladium-Catalyzed Hydrohalogenation of 1,6-Enynes: Hydrogen Halide Salts and Alkyl Halides as Convenient HX Surrogates.","Journal of the American Chemical Society","2017","139","9","3546","3557","10.1021/jacs.7b00482","","","0.71073","MoKα","","0.0351","0.0239","","","0.0514","0.0546","","","","","","1.034","","","","has coordinates,has disorder","194837","2020-10-21","18:00:00",""
"4125465","9.6103","0.0007","9.9716","0.0007","10.1536","0.0008","75.6","0.002","84.472","0.002","64.298","0.002","849.13","0.11","147","2","147","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 I N O2 -","- C17 H22 I N O2 -","- C34 H44 I2 N2 O4 -","2","1","","Petrone, David A.; Franzoni, Ivan; Ye, Juntao; Rodríguez, José F; Poblador-Bahamonde, Amalia I; Lautens, Mark","Palladium-Catalyzed Hydrohalogenation of 1,6-Enynes: Hydrogen Halide Salts and Alkyl Halides as Convenient HX Surrogates.","Journal of the American Chemical Society","2017","139","9","3546","3557","10.1021/jacs.7b00482","","","0.71073","MoKα","","0.0293","0.0259","","","0.0567","0.0592","","","","","","1.166","","","","has coordinates,has disorder","194837","2020-10-21","18:00:00",""
"4125466","13.1536","0.0009","13.9867","0.0009","19.6553","0.0011","103.578","0.0018","107.187","0.0019","95.011","0.002","3309.9","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C65.5 H60 B F24 Mo N3 O P2 -","- C65.5 H60 B F24 Mo N3 O P2 -","- C131 H120 B2 F48 Mo2 N6 O2 P4 -","2","1","","Bhattacharya, Papri; Heiden, Zachariah M.; Wiedner, Eric S.; Raugei, Simone; Piro, Nicholas A.; Kassel, W. Scott; Bullock, R. Morris; Mock, Michael T.","Ammonia Oxidation by Abstraction of Three Hydrogen Atoms from a Mo-NH3 Complex.","Journal of the American Chemical Society","2017","139","8","2916","2919","10.1021/jacs.7b00002","","","0.71073","MoKα","","0.0713","0.0436","","","0.0915","0.1026","","","","","","1.004","","","","has coordinates,has disorder","193476","2020-10-21","18:00:00",""
"4125467","18.6539","0.0004","20.3751","0.0004","20.911","0.0004","90","","90","","90","","7947.7","0.3","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C79 H82 B F24 Mo N3 O P2 -","- C79 H82 B F24 Mo N3 O P2 -","- C316 H328 B4 F96 Mo4 N12 O4 P8 -","4","1","","Bhattacharya, Papri; Heiden, Zachariah M.; Wiedner, Eric S.; Raugei, Simone; Piro, Nicholas A.; Kassel, W. Scott; Bullock, R. Morris; Mock, Michael T.","Ammonia Oxidation by Abstraction of Three Hydrogen Atoms from a Mo-NH3 Complex.","Journal of the American Chemical Society","2017","139","8","2916","2919","10.1021/jacs.7b00002","","","0.71073","MoKα","","0.0539","0.0446","","","0.1071","0.1127","","","","","","1.046","","","","has coordinates,has disorder","193476","2020-10-21","18:00:00",""
"4125468","14.0198","0.0009","12.6245","0.0008","29.5965","0.0019","90","","92.0068","0.0009","90","","5235.2","0.6","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H81 B O2 Th -","- C58 H73 B O Th -","- C232 H292 B4 O4 Th4 -","4","1","","Langeslay, Ryan R.; Chen, Guo P.; Windorff, Cory J.; Chan, Alan K.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Synthesis, Structure, and Reactivity of the Sterically Crowded Th(3+) Complex (C5Me5)3Th Including Formation of the Thorium Carbonyl, [(C5Me5)3Th(CO)][BPh4].","Journal of the American Chemical Society","2017","139","9","3387","3398","10.1021/jacs.6b10826","","","0.71073","MoKα","","0.0356","0.0254","","","0.0546","0.0576","","","","","","1.039","","","","has coordinates","194838","2020-10-21","18:00:00",""
"4125469","10.017","0.002","10.017","0.002","15.418","0.003","90","","90","","120","","1339.8","0.5","88","2","88","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C30 H45 Th -","- C30 H45 Th -","- C60 H90 Th2 -","2","0.166667","","Langeslay, Ryan R.; Chen, Guo P.; Windorff, Cory J.; Chan, Alan K.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Synthesis, Structure, and Reactivity of the Sterically Crowded Th(3+) Complex (C5Me5)3Th Including Formation of the Thorium Carbonyl, [(C5Me5)3Th(CO)][BPh4].","Journal of the American Chemical Society","2017","139","9","3387","3398","10.1021/jacs.6b10826","","","0.71073","MoKα","","0.0146","0.013","","","0.0328","0.0333","","","","","","1.117","","","","has coordinates","194838","2020-10-21","18:00:00",""
"4125470","10.0524","0.0009","10.0524","0.0009","15.4433","0.0015","90","","90","","120","","1351.5","0.2","143","2","143","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C31 H48 Th -","- C31 H48.0006 Th -","- C62 H96.0012 Th2 -","2","0.166667","","Langeslay, Ryan R.; Chen, Guo P.; Windorff, Cory J.; Chan, Alan K.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Synthesis, Structure, and Reactivity of the Sterically Crowded Th(3+) Complex (C5Me5)3Th Including Formation of the Thorium Carbonyl, [(C5Me5)3Th(CO)][BPh4].","Journal of the American Chemical Society","2017","139","9","3387","3398","10.1021/jacs.6b10826","","","0.71073","MoKα","","0.0469","0.0333","","","0.069","0.084","","","","","","1.178","","","","has coordinates","194838","2020-10-21","18:00:00",""
"4125471","13.96917","0.0001","7.51073","0.00005","14.95331","0.0001","90","","90","","90","","1568.88","0.019","85","2","85","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H18 N O -","- C20 H18 N O -","- C80 H72 N4 O4 -","4","1","","Sevov, Christo S.; Hickey, David P.; Cook, Monique E.; Robinson, Sophia G.; Barnett, Shoshanna; Minteer, Shelley D.; Sigman, Matthew S.; Sanford, Melanie S.","Physical Organic Approach to Persistent, Cyclable, Low-Potential Electrolytes for Flow Battery Applications.","Journal of the American Chemical Society","2017","139","8","2924","2927","10.1021/jacs.7b00147","","","1.54184","CuKα","","0.0361","0.0357","","","0.0917","0.0923","","","","","","1.09","","","","has coordinates","193477","2020-10-21","18:00:00",""
"4125472","12.86","0.0007","13.2615","0.0007","22.4444","0.0012","92.528","0.003","94.167","0.003","108.759","0.003","3605.6","0.3","100","","99.96","","","","","","","","","6","P -1","-P 1","2","","","","- C69.97 H60 O2 P2 S16 V -","- C70 H60 O2 P2 S16 V -","- C140 H120 O4 P4 S32 V2 -","2","1","","Graham, Michael J.; Yu, Chung-Jui; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Freedman, Danna E.","Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence.","Journal of the American Chemical Society","2017","139","8","3196","3201","10.1021/jacs.6b13030","","","0.71073","MoKα","","0.0757","0.0588","","","0.1341","0.1451","","","","","","1.061","","","","has coordinates,has disorder","193478","2020-10-21","18:00:00",""
"4125473","11.0523","0.0006","15.3821","0.0009","27.7478","0.0016","90","","91.969","0.003","90","","4714.6","0.5","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H52 O P2 S4 V -","- C54 H52 O P2 S4 V -","- C216 H208 O4 P8 S16 V4 -","4","2","","Graham, Michael J.; Yu, Chung-Jui; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Freedman, Danna E.","Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence.","Journal of the American Chemical Society","2017","139","8","3196","3201","10.1021/jacs.6b13030","","","0.71073","MoKα","","0.033","0.0299","","","0.0698","0.0714","","","","","","1.027","","","","has coordinates","193478","2020-10-21","18:00:00",""
"4125474","10.663","0.006","12.686","0.007","22.853","0.013","103.838","0.01","98.039","0.011","98.816","0.011","2916","3","100","","99.93","","","","","","","","","7","P -1","-P 1","2","","","","- C62 H58.49 N2 O P2 S8 V -","- C62 H58 N2 O P2 S8 V -","- C124 H116 N4 O2 P4 S16 V2 -","2","1","","Graham, Michael J.; Yu, Chung-Jui; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Freedman, Danna E.","Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence.","Journal of the American Chemical Society","2017","139","8","3196","3201","10.1021/jacs.6b13030","","","0.71073","MoKα","","0.0629","0.0481","","","0.1177","0.1276","","","","","","1.044","","","","has coordinates,has disorder","193478","2020-10-21","18:00:00",""
"4125475","7.5565","0.0003","16.3552","0.0004","17.6239","0.0006","90","","90","","90","","2178.1","0.13","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 O2 -","- C14 H12 O2 -","- C112 H96 O16 -","8","1","","Sagadevan, Arunachalam; Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible Light Copper Photoredox-Catalyzed Aerobic Oxidative Coupling of Phenols and Terminal Alkynes: Regioselective Synthesis of Functionalized Ketones via C≡C Triple Bond Cleavage.","Journal of the American Chemical Society","2017","139","8","2896","2899","10.1021/jacs.6b13113","","","0.71073","MoKα","","0.049","0.0381","","","0.0975","0.1042","","","","","","1.083","","","","has coordinates","193479","2020-10-21","18:00:00",""
"4125476","32.039","0.006","8.102","0.0014","10.3858","0.0018","90","","101.971","0.003","90","","2637.3","0.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H36 Br N3 O6 -","- C27 H36 Br N3 O6 -","- C108 H144 Br4 N12 O24 -","4","1","","Liang, Xiao; Zhang, Tian-Yuan; Zeng, Xue-Yi; Zheng, Yu; Wei, Kun; Yang, Yu-Rong","Ir-Catalyzed Asymmetric Total Synthesis of (-)-Communesin F.","Journal of the American Chemical Society","2017","139","9","3364","3367","10.1021/jacs.7b00854","","","0.71073","MoKα","","0.051","0.0392","","","0.0888","0.0929","","","","","","0.989","","","","has coordinates,has disorder","194839","2020-10-21","18:00:00",""
"4125477","10.557","0.002","11.967","0.002","23.185","0.005","90","","90","","90","","2929.1","1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 Br N2 O4 S -","- C32 H33 Br N2 O4 S -","- C128 H132 Br4 N8 O16 S4 -","4","1","","Liang, Xiao; Zhang, Tian-Yuan; Zeng, Xue-Yi; Zheng, Yu; Wei, Kun; Yang, Yu-Rong","Ir-Catalyzed Asymmetric Total Synthesis of (-)-Communesin F.","Journal of the American Chemical Society","2017","139","9","3364","3367","10.1021/jacs.7b00854","","","0.71073","MoKα","","0.0595","0.0457","","","0.0762","0.0783","","","","","","1.307","","","","has coordinates","194839","2020-10-21","18:00:00",""
"4125478","8.0108","0.0003","16.3497","0.0005","36.6816","0.0012","90","","90.004","0.002","90","","4804.3","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H33.5 N4 O3 S Si -","- C19.5 H33.5 N4 O3 S Si -","- C156 H268 N32 O24 S8 Si8 -","8","2","","Lo, Julian C.; Kim, Dongyoung; Pan, Chung-Mao; Edwards, Jacob T.; Yabe, Yuki; Gui, Jinghan; Qin, Tian; Gutiérrez, Sara; Giacoboni, Jessica; Smith, Myles W.; Holland, Patrick L.; Baran, Phil S.","Fe-Catalyzed C-C Bond Construction from Olefins via Radicals.","Journal of the American Chemical Society","2017","139","6","2484","2503","10.1021/jacs.6b13155","","x-ray","0.71073","MoKα","","0.0698","0.0549","","","0.1423","0.1513","","","","","","1.104","","","","has coordinates","193509","2020-10-21","18:00:00",""
"4125479","26.48","0.005","7.2231","0.0015","28.774","0.006","90","","110.34","0.03","90","","5160","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1.3(H2O)","","","- C44 H32 Fe2 N24 O6 Pd2 -","- C44 H32 Fe2 N24 O6 Pd2 -","- C176 H128 Fe8 N96 O24 Pd8 -","4","1","","Murphy, Michael J.; Zenere, Katrina A.; Ragon, Florence; Southon, Peter D.; Kepert, Cameron J.; Neville, Suzanne M.","Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material.","Journal of the American Chemical Society","2017","139","3","1330","1335","10.1021/jacs.6b12465","","","1.5418","CuKα","","0.1491","0.1205","","","0.2524","0.2652","","","","","","1.174","","","","has coordinates","193521","2020-10-21","18:00:00",""
"4125480","26.5529","0.0014","7.2804","0.0005","28.9809","0.0013","90","","110.53","0.005","90","","5246.6","0.5","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1.3(H2O)","","","- C22 H16 Fe N12 O3 Pd -","- C22 H16 Fe N12 O3 Pd -","- C176 H128 Fe8 N96 O24 Pd8 -","8","1","","Murphy, Michael J.; Zenere, Katrina A.; Ragon, Florence; Southon, Peter D.; Kepert, Cameron J.; Neville, Suzanne M.","Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material.","Journal of the American Chemical Society","2017","139","3","1330","1335","10.1021/jacs.6b12465","","","1.54184","CuKα","","0.092","0.0802","","","0.238","0.2554","","","","","","1.15","","","","has coordinates","193521","2020-10-21","18:00:00",""
"4125481","26.5335","0.0009","7.4453","0.0003","29.3511","0.0009","90","","110.036","0.005","90","","5447.4","0.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1.(Et,H2O)","","","- C24 H16 Fe N12 O2 Pd -","- C24 H16 Fe N12 O2 Pd -","- C192 H128 Fe8 N96 O16 Pd8 -","8","1","","Murphy, Michael J.; Zenere, Katrina A.; Ragon, Florence; Southon, Peter D.; Kepert, Cameron J.; Neville, Suzanne M.","Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material.","Journal of the American Chemical Society","2017","139","3","1330","1335","10.1021/jacs.6b12465","","","0.71073","MoKα","","0.0869","0.0626","","","0.1669","0.1856","","","","","","1.06","","","","has coordinates,has disorder","193521","2020-10-21","18:00:00",""
"4125482","30.4451","0.0013","30.4451","0.0013","96.083","0.004","90","","90","","120","","77128","6","100","2","100.01","","","","","","","","","4","R -3","-R 3","148","","","","- C324 H216 N40 Ru6 -","- C324 H216 N40 Ru6 -","- C1944 H1296 N240 Ru36 -","6","","","Chakraborty, Sourav; Hong, Wei; Endres, Kevin J.; Xie, Ting-Zheng; Wojtas, Lukasz; Moorefield, Charles N.; Wesdemiotis, Chrys; Newkome, George R.","Terpyridine-Based, Flexible Tripods: From a Highly Symmetric Nanosphere to Temperature-Dependent, Irreversible, 3D Isomeric Macromolecular Nanocages.","Journal of the American Chemical Society","2017","139","8","3012","3020","10.1021/jacs.6b11784","","","1.54178","CuKα","","0.1896","0.136","","","0.4004","0.4491","","","","","","1.886","","","","has coordinates,has disorder","193480","2020-10-21","18:00:00",""
"4125483","13.2314","0.0004","8.5991","0.0003","29.3542","0.0008","90","","90.098","0.003","90","","3339.86","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C152 H160 N16 O16 -","8","2","","Shi, Jiarong; Xu, Hai; Qiu, Dachuan; He, Jia; Li, Yang","Selective Aryne Formation via Grob Fragmentation from the [2+2] Cycloadducts of 3-Triflyloxyarynes.","Journal of the American Chemical Society","2017","139","2","623","626","10.1021/jacs.6b12161","","","0.71073","MoKα","","0.0929","0.0615","","","0.1492","0.1692","","","","","","1.021","","","","has coordinates","193504","2020-10-21","18:00:00",""
"4125484","25.4957","0.0012","25.4957","0.0012","6.2727","0.0003","90","","90","","120","","3531.2","0.3","173","2","173","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C55 H60 O5 -","- C46 H40 O4 -","- C138 H120 O12 -","3","0.5","","Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh","An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles.","Journal of the American Chemical Society","2017","139","8","3106","3114","10.1021/jacs.6b12658","","","1.54178","CuKα","","0.0728","0.0633","","","0.1558","0.1605","","","","","","1.003","","","","has coordinates","193481","2020-10-21","18:00:00",""
"4125485","10.4271","0.0004","14.8854","0.0005","12.0952","0.0004","90","","113.424","0.002","90","","1722.6","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C84 H96 O12 -","4","1","","Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh","An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles.","Journal of the American Chemical Society","2017","139","8","3106","3114","10.1021/jacs.6b12658","","","1.54178","CuKα","","0.124","0.1075","","","0.2954","0.3146","","","","","","1.015","","","","has coordinates","193481","2020-10-21","18:00:00",""
"4125486","36.947","0.0018","9.7771","0.0005","38.2483","0.0018","90","","111.093","0.002","90","","12890.9","1.1","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C34 H32 O4 -","- C34 H32 O4 -","- C680 H640 O80 -","20","5","","Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh","An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles.","Journal of the American Chemical Society","2017","139","8","3106","3114","10.1021/jacs.6b12658","","","1.54178","CuKα","","0.0753","0.0557","","","0.1448","0.1607","","","","","","1.064","","","","has coordinates","193481","2020-10-21","18:00:00",""
"4125487","11.53896","0.00015","7.57923","0.00011","20.9318","0.0003","90","","95.3562","0.0012","90","","1822.63","0.04","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 F2 N O2 -","- C10 H9 F2 N O2 -","- C80 H72 F16 N8 O16 -","8","2","","Wu, Jia-Qiang; Zhang, Shang-Shi; Gao, Hui; Qi, Zisong; Zhou, Chu-Jun; Ji, Wei-Wei; Liu, Yao; Chen, Yunyun; Li, Qingjiang; Li, Xingwei; Wang, Honggen","Experimental and Theoretical Studies on Rhodium-Catalyzed Coupling of Benzamides with 2,2-Difluorovinyl Tosylate: Diverse Synthesis of Fluorinated Heterocycles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00118","","x-ray","1.54184","CuKα","","0.0422","0.0408","","","0.1062","0.1074","","","","","","1.094","","","","has coordinates","192555","2020-10-21","18:00:00",""
"4125488","12.1941","0.0003","17.2572","0.0004","16.8432","0.0004","90","","107.324","0.0014","90","","3383.63","0.14","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 B N2 O4 -","- C33 H45 B N2 O4 -","- C132 H180 B4 N8 O16 -","4","1","","McFadden, Timothy R.; Fang, Cheng; Geib, Steven J.; Merling, Everett; Liu, Peng; Curran, Dennis P.","Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate.","Journal of the American Chemical Society","2017","139","5","1726","1729","10.1021/jacs.6b09873","","","1.54178","CuKα","","0.0621","0.0468","","","0.1373","0.146","","","","","","1.368","","","","has coordinates","193494","2020-10-21","18:00:00",""
"4125489","11.681","0.0004","14.3215","0.0005","19.9387","0.0007","90","","101.768","0.002","90","","3265.4","0.2","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 B N2 O4 -","- C33 H45 B N2 O4 -","- C132 H180 B4 N8 O16 -","4","1","","McFadden, Timothy R.; Fang, Cheng; Geib, Steven J.; Merling, Everett; Liu, Peng; Curran, Dennis P.","Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate.","Journal of the American Chemical Society","2017","139","5","1726","1729","10.1021/jacs.6b09873","","","1.54178","CuKα","","0.0804","0.0571","","","0.1605","0.1727","","","","","","1.491","","","","has coordinates","193494","2020-10-21","18:00:00",""
"4125490","18.9996","0.0007","16.0499","0.0006","18.9296","0.0007","90","","118.389","0.002","90","","5078.2","0.3","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 B N2 O4 -","- C27 H33 B N2 O4 -","- C216 H264 B8 N16 O32 -","8","2","","McFadden, Timothy R.; Fang, Cheng; Geib, Steven J.; Merling, Everett; Liu, Peng; Curran, Dennis P.","Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate.","Journal of the American Chemical Society","2017","139","5","1726","1729","10.1021/jacs.6b09873","","","1.54178","CuKα","","0.0511","0.0425","","","0.1254","0.1311","","","","","","1.416","","","","has coordinates","193494","2020-10-21","18:00:00",""
"4125491","13.2934","0.0006","8.5248","0.0004","15.9325","0.0007","90","","100.915","0.002","90","","1772.86","0.14","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H25 B N2 O4 -","- C15 H25 B N2 O4 -","- C60 H100 B4 N8 O16 -","4","1","","McFadden, Timothy R.; Fang, Cheng; Geib, Steven J.; Merling, Everett; Liu, Peng; Curran, Dennis P.","Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate.","Journal of the American Chemical Society","2017","139","5","1726","1729","10.1021/jacs.6b09873","","","1.54178","CuKα","","0.0379","0.035","","","0.1171","0.1204","","","","","","1.511","","","","has coordinates","193494","2020-10-21","18:00:00",""
"4125492","7.3996","0.0004","7.6266","0.0005","37.156","0.002","90","","90","","90","","2096.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H11 N2 O3 S -","- C9 H11 N2 O3 S -","- C72 H88 N16 O24 S8 -","8","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","1.54184","CuKα","","0.1017","0.0868","","","0.2163","0.2295","","","","","","1.13","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125493","7.3346","0.0002","7.5087","0.0002","36.7164","0.0014","90","","90","","90","","2022.09","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H10 N O3 S -","- C9 H10 N O3 S -","- C72 H80 N8 O24 S8 -","8","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.0558","0.0471","","","0.1353","0.1405","","","","","","1.104","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125494","5.4297","0.0005","9.1562","0.001","10.8346","0.001","93.508","0.008","97.284","0.008","100.633","0.009","523.15","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 N2 O5 S -","- C9 H9 N2 O5 S -","- C18 H18 N4 O10 S2 -","2","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.0486","0.0461","","","0.1283","0.1307","","","","","","1.059","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125495","11.1336","0.001","15.7206","0.0016","11.0314","0.0017","90","","90","","90","","1930.8","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H10 N O4 S -","- C9 H10 N O4 S -","- C72 H80 N8 O32 S8 -","8","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.1504","0.125","","","0.2999","0.3582","","","","","","1.267","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125496","7.0851","0.0005","7.8518","0.0004","24.8513","0.0017","95.667","0.005","95.177","0.006","93.368","0.005","1366.93","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N2 O8 S2 -","- C28 H26 N2 O8 S2 -","- C56 H52 N4 O16 S4 -","2","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.1022","0.0637","","","0.1474","0.1684","","","","","","1.056","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125497","17.462","0.0006","7.1855","0.0002","22.0942","0.0007","90","","90.221","0.003","90","","2772.21","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N4 O6 S2 -","- C26 H28 N4 O6 S2 -","- C104 H112 N16 O24 S8 -","4","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.1114","0.0925","","","0.2674","0.2902","","","","","","1.064","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125498","11.036","0.005","5.946","0.005","27.498","0.005","90","0.005","93.037","0.005","90","0.005","1801.9","1.8","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19 H20 N2 O3 S -","- C19 H20 N2 O3 S -","- C76 H80 N8 O12 S4 -","4","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.096","0.0769","","","0.1939","0.2017","","","","","","1.253","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125499","21.814","0.005","5.665","0.005","23.078","0.005","90","0.005","101.57","0.005","90","0.005","2794","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N2 O8 S2 -","- C28 H32 N2 O8 S2 -","- C112 H128 N8 O32 S8 -","4","0.5","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","1.54184","CuKα","","0.092","0.0655","","","0.12","0.1301","","","","","","1.069","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125500","6.8608","0.0008","7.4854","0.0009","12.4733","0.0011","94.583","0.009","100.837","0.009","97.837","0.009","619.6","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N4 O6 S2 -","- C24 H26 N4 O6 S2 -","- C24 H26 N4 O6 S2 -","1","0.5","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","1.54184","CuKα","","0.1115","0.0882","","","0.2739","0.2879","","","","","","1.171","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125501","9.6831","0.001","6.95","0.0011","16.999","0.003","90","","98.873","0.012","90","","1130.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C44 H52 N4 O12 S4 -","4","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.1439","0.0992","","","0.2531","0.3225","","","","","","1.047","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125502","6.7115","0.0002","12.5511","0.0003","17.2878","0.0005","90","","90","","90","","1456.27","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N3 O5 S -","- C13 H15 N3 O5 S -","- C52 H60 N12 O20 S4 -","4","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.038","0.0357","","","0.0966","0.0983","","","","","","1.047","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125503","20.179","0.005","7.3128","0.0018","24.983","0.006","90","","106.921","0.01","90","","3527","1.5","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 Pd -","- C26 H16 N2 Pd -","- C208 H128 N16 Pd8 -","8","2","","Oeschger, Raphael J.; Chen, Peter","Structure and Gas-Phase Thermochemistry of a Pd/Cu Complex: Studies on a Model for Transmetalation Transition States.","Journal of the American Chemical Society","2017","139","3","1069","1072","10.1021/jacs.6b12152","","x-ray","0.71073","MoKα","","0.0848","0.0447","","","0.0763","0.0875","","","","","","1.009","","","","has coordinates","193522","2020-10-21","18:00:00",""
"4125504","14.577","0.003","21.308","0.002","7.6497","0.0011","90","","93.398","0.015","90","","2371.9","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H23 B Br2 -","- C29 H23 B Br2 -","- C116 H92 B4 Br8 -","4","0.5","","Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Route to Quadruply Annulated Borepins.","Journal of the American Chemical Society","2017","139","7","2842","2851","10.1021/jacs.7b00268","","","0.71073","MoKα","","0.1029","0.0718","","","0.1758","0.1921","","","","","","1.105","","","","has coordinates","193515","2020-10-21","18:00:00",""
"4125505","8.5016","0.0007","10.3643","0.0009","14.9812","0.0014","81.866","0.007","85.884","0.007","77.541","0.006","1274.8","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H23 B Br2 -","- C33 H23 B Br2 -","- C66 H46 B2 Br4 -","2","1","","Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Route to Quadruply Annulated Borepins.","Journal of the American Chemical Society","2017","139","7","2842","2851","10.1021/jacs.7b00268","","","0.71073","MoKα","","0.0961","0.0669","","","0.1549","0.1697","","","","","","1.046","","","","has coordinates","193515","2020-10-21","18:00:00",""
"4125506","18.4101","0.0007","13.605","0.0004","8.2544","0.0003","90","","98.845","0.003","90","","2042.89","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 B Br2 -","- C26 H17 B Br2 -","- C104 H68 B4 Br8 -","4","1","","Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Route to Quadruply Annulated Borepins.","Journal of the American Chemical Society","2017","139","7","2842","2851","10.1021/jacs.7b00268","","","0.71073","MoKα","","0.0575","0.0457","","","0.1084","0.1123","","","","","","1.149","","","","has coordinates","193515","2020-10-21","18:00:00",""
"4125507","29.3271","0.0005","8.3264","0.0001","20.8885","0.0003","90","","90","","90","","5100.75","0.13","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30.5 H21.5 B Br2 Cl1.5 -","- C30.5 H21.5 B Br2 Cl1.5 -","- C244 H172 B8 Br16 Cl12 -","8","1","","Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Route to Quadruply Annulated Borepins.","Journal of the American Chemical Society","2017","139","7","2842","2851","10.1021/jacs.7b00268","","","0.71073","MoKα","","0.0574","0.0529","","","0.125","0.1283","","","","","","1.164","","","","has coordinates","193515","2020-10-21","18:00:00",""
"4125508","15.526","0.0009","9.0436","0.0005","15.7165","0.0009","90","","113.022","0.004","90","","2031","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 B -","- C29 H23 B -","- C116 H92 B4 -","4","1","","Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Route to Quadruply Annulated Borepins.","Journal of the American Chemical Society","2017","139","7","2842","2851","10.1021/jacs.7b00268","","","0.71073","MoKα","","0.0579","0.0448","","","0.1022","0.1077","","","","","","1.061","","","","has coordinates","193515","2020-10-21","18:00:00",""
"4125509","8.8813","0.001","11.36","0.0014","13.4459","0.0019","93.38","0.011","97.697","0.01","93.021","0.01","1339.5","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H34 B -","- C36 H34 B -","- C72 H68 B2 -","2","1","","Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Route to Quadruply Annulated Borepins.","Journal of the American Chemical Society","2017","139","7","2842","2851","10.1021/jacs.7b00268","","","0.71073","MoKα","","0.1338","0.0733","","","0.1658","0.1931","","","","","","0.981","","","","has coordinates","193515","2020-10-21","18:00:00",""
"4125510","9.1273","0.0002","21.7763","0.0006","17.9055","0.0006","90","","91.652","0.003","90","","3557.4","0.17","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Cl Mn N5 O11 -","- C30 H40 Cl Mn N5 O11 -","- C120 H160 Cl4 Mn4 N20 O44 -","4","1","","Kenkel, Isabell; Franke, Alicja; Dürr, Maximilian; Zahl, Achim; Dücker-Benfer, Carlos; Langer, Jens; Filipović, Milos R; Yu, Meng; Puchta, Ralph; Fiedler, Stephanie R.; Shores, Matthew P.; Goldsmith, Christian R.; Ivanović-Burmazović, Ivana","Switching between Inner- and Outer-Sphere PCET Mechanisms of Small-Molecule Activation: Superoxide Dismutation and Oxygen/Superoxide Reduction Reactivity Deriving from the Same Manganese Complex.","Journal of the American Chemical Society","2017","139","4","1472","1484","10.1021/jacs.6b08394","","x-ray","0.71073","MoKα","","0.0595","0.05","","","0.1309","0.1377","","","","","","1.063","","","","has coordinates,has disorder","193500","2020-10-21","18:00:00",""
"4125511","25.878","0.0009","26.0327","0.0009","26.5129","0.0009","61.613","0.002","75.949","0.002","61.416","0.002","13795.5","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C480 H582 Ag44.66 Au5.34 P12 S30 -","- C480 H582 Ag44.658 Au5.342 P12 S30 -","- C480 H582 Ag44.658 Au5.342 P12 S30 -","1","0.5","","Du, Wenjun; Jin, Shan; Xiong, Lin; Chen, Man; Zhang, Jun; Zou, Xuejuan; Pei, Yong; Wang, Shuxin; Zhu, Manzhou","Ag50(Dppm)6(SR)30 and Its Homologue AuxAg50-x(Dppm)6(SR)30 Alloy Nanocluster: Seeded Growth, Structure Determination, and Differences in Properties.","Journal of the American Chemical Society","2017","139","4","1618","1624","10.1021/jacs.6b11681","","","0.71073","MoKα","","0.2137","0.1497","","","0.3478","0.4079","","","","","","1.167","","","","has coordinates,has disorder","193501","2020-10-21","18:00:00",""
"4125512","26.2512","0.0012","26.6936","0.0012","26.7376","0.0012","76.576","0.002","60.718","0.002","61.726","0.002","14392.3","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C480 H582 Ag50 P12 S30 -","- C480 H582 Ag50 P12 S30 -","- C480 H582 Ag50 P12 S30 -","1","0.5","","Du, Wenjun; Jin, Shan; Xiong, Lin; Chen, Man; Zhang, Jun; Zou, Xuejuan; Pei, Yong; Wang, Shuxin; Zhu, Manzhou","Ag50(Dppm)6(SR)30 and Its Homologue AuxAg50-x(Dppm)6(SR)30 Alloy Nanocluster: Seeded Growth, Structure Determination, and Differences in Properties.","Journal of the American Chemical Society","2017","139","4","1618","1624","10.1021/jacs.6b11681","","","0.71073","MoKα","","0.093","0.0619","","","0.1606","0.1788","","","","","","1.035","","","","has coordinates","193501","2020-10-21","18:00:00",""
"4125513","7.4283","0.0008","8.3837","0.0009","10.8769","0.0012","95.785","0.009","103.104","0.009","114.473","0.011","585.8","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 B2 N4 O4 -","- C26 H22 B2 N4 O4 -","- C26 H22 B2 N4 O4 -","1","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","1.54184","CuKα","","0.0883","0.0655","","","0.1889","0.1951","","","","","","1.359","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125514","13.0892","0.0006","13.9674","0.0004","8.3002","0.0004","90","","96.4","0.004","90","","1508","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 B Cl2 N2 O2 -","- C14 H11 B Cl2 N2 O2 -","- C56 H44 B4 Cl8 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0477","0.0387","","","0.0926","0.0978","","","","","","1.043","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125515","6.8541","0.0007","9.8549","0.0019","10.772","0.002","114.154","0.018","93.533","0.011","96.875","0.011","654.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 B2 Br2 N4 O4 -","- C26 H20 B2 Br2 N4 O4 -","- C26 H20 B2 Br2 N4 O4 -","1","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0606","0.041","","","0.1226","0.1671","","","","","","1.063","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125516","9.3053","0.0009","12.7855","0.0013","13.0268","0.0013","90","","90.721","0.009","90","","1549.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 B N2 O2 -","- C18 H15 B N2 O2 -","- C72 H60 B4 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0842","0.0658","","","0.1565","0.1659","","","","","","1.105","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125517","10.5129","0.0005","12.6999","0.0006","13.1644","0.0006","90","","99.026","0.005","90","","1735.85","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 B Cl2 N2 O2 -","- C18 H13 B Cl2 N2 O2 -","- C72 H52 B4 Cl8 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0492","0.0387","","","0.0963","0.1037","","","","","","1.036","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125518","6.8485","0.0004","8.6631","0.0006","14.9105","0.001","104.365","0.006","92.714","0.005","97.449","0.005","846.82","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 B2 N4 O4 -","- C34 H26 B2 N4 O4 -","- C34 H26 B2 N4 O4 -","1","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","1.54184","CuKα","","0.072","0.0537","","","0.1744","0.1932","","","","","","1.174","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125519","26.2971","0.001","7.0717","0.0002","22.6474","0.0008","90","","114.836","0.004","90","","3822.1","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H21 B N2 O2 -","- C21 H21 B N2 O2 -","- C168 H168 B8 N16 O16 -","8","2","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","1.54184","CuKα","","0.0663","0.056","","","0.1604","0.1776","","","","","","1.096","","","","has coordinates,has disorder","193516","2020-10-21","18:00:00",""
"4125520","12.354","0.002","8.628","0.001","14.2421","0.0019","90","","116.121","0.01","90","","1363","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 B F N2 O2 -","- C14 H12 B F N2 O2 -","- C56 H48 B4 F4 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0483","0.0396","","","0.0991","0.1053","","","","","","1.044","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125521","3.8701","0.0004","12.5606","0.0014","28.597","0.002","90","","93.811","0.009","90","","1387","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 B F3 N2 O2 -","- C14 H10 B F3 N2 O2 -","- C56 H40 B4 F12 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.1318","0.0501","","","0.07","0.0987","","","","","","0.938","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125522","8.0142","0.0007","9.9714","0.0007","11.2985","0.0009","91.268","0.006","109.233","0.008","103.936","0.006","822.32","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 B Cl N2 O2 -","- C18 H14 B Cl N2 O2 -","- C36 H28 B2 Cl2 N4 O4 -","2","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0671","0.0479","","","0.1238","0.1374","","","","","","1.05","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125523","10.1397","0.0005","12.3561","0.0004","12.7615","0.0006","90","","110.316","0.005","90","","1499.39","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 B N2 O3 -","- C15 H15 B N2 O3 -","- C60 H60 B4 N8 O12 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0542","0.0408","","","0.0973","0.1061","","","","","","1.015","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125524","24.7752","0.0015","13.4269","0.0008","27.4783","0.0014","90","","90","","90","","9140.8","0.9","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C15 H15 B N2 O2 S -","- C15 H15 B N2 O2 S -","- C360 H360 B24 N48 O48 S24 -","24","3","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.173","0.0848","","","0.1521","0.1913","","","","","","1.045","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125525","7.6712","0.0004","19.9377","0.0013","10.8372","0.0006","90","","99.292","0.005","90","","1635.76","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 B N2 O2 -","- C17 H19 B N2 O2 -","- C68 H76 B4 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0889","0.0522","","","0.1071","0.1243","","","","","","1.038","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125526","6.757","0.0003","9.7827","0.0004","10.5456","0.0005","112.762","0.004","94.006","0.004","96.904","0.004","632.96","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 B2 Cl2 N4 O4 -","- C26 H20 B2 Cl2 N4 O4 -","- C26 H20 B2 Cl2 N4 O4 -","1","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","1.54184","CuKα","","0.0397","0.0381","","","0.1091","0.1115","","","","","","0.85","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125527","8.9934","0.0005","15.8317","0.0007","7.2226","0.0004","90","","90.808","0.005","90","","1028.26","0.09","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C20 H16 B2 N4 O4 -","- C20 H16 B2 N4 O4 -","- C40 H32 B4 N8 O8 -","2","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","1.54184","CuKα","","0.1288","0.108","","","0.2793","0.3144","","","","","","1.14","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125528","10.4157","0.0015","12.9098","0.0017","13.575","0.002","90","","97.56","0.014","90","","1809.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 B Br2 N2 O2 -","- C18 H13 B Br2 N2 O2 -","- C72 H52 B4 Br8 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.1201","0.0712","","","0.1472","0.1813","","","","","","1.029","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125529","6.7753","0.0003","24.5789","0.0011","9.48","0.0006","90","","117.015","0.004","90","","1406.44","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 B F2 N2 O2 -","- C14 H11 B F2 N2 O2 -","- C56 H44 B4 F8 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0639","0.0455","","","0.1106","0.1221","","","","","","1.052","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125530","5.2682","0.0002","13.5894","0.0004","18.7378","0.0005","90","","90","","90","","1341.47","0.07","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br O -","- C16 H15 Br O -","- C64 H60 Br4 O4 -","4","1","","Wang, Yong; Wen, Xin; Cui, Xin; Wojtas, Lukasz; Zhang, X. Peter","Asymmetric Radical Cyclopropanation of Alkenes with In Situ-Generated Donor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis.","Journal of the American Chemical Society","2017","139","3","1049","1052","10.1021/jacs.6b11336","","","1.54178","CuKα","","0.0229","0.0228","","","0.0597","0.0598","","","","","","1.106","","","","has coordinates","193523","2020-10-21","18:00:00",""
"4125531","19.777","0.008","16.145","0.006","25.463","0.01","90","","104.312","0.005","90","","7878","5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H86 Cl4 Cr2 O4 P4 Rh2 -","- C84 H83 Cl4 Cr2 O4 P4 Rh2 -","- C336 H332 Cl16 Cr8 O16 P16 Rh8 -","4","1","","Kamikawa, Ken; Tseng, Ya-Yi; Jian, Jia-Hong; Takahashi, Tamotsu; Ogasawara, Masamichi","Planar-Chiral Phosphine-Olefin Ligands Exploiting a (Cyclopentadienyl)manganese(I) Scaffold To Achieve High Robustness and High Enantioselectivity.","Journal of the American Chemical Society","2017","139","4","1545","1553","10.1021/jacs.6b11243","","","0.71073","MoKα","","0.1333","0.0924","","","0.2087","0.2378","","","","","","1.214","","","","has coordinates","193502","2020-10-21","18:00:00",""
"4125532","8.189","0.0005","18.7027","0.0011","23.157","0.0011","90","","90","","90","","3546.6","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 Cr O2 P2 -","- C40 H38 Cr O2 P2 -","- C160 H152 Cr4 O8 P8 -","4","1","","Kamikawa, Ken; Tseng, Ya-Yi; Jian, Jia-Hong; Takahashi, Tamotsu; Ogasawara, Masamichi","Planar-Chiral Phosphine-Olefin Ligands Exploiting a (Cyclopentadienyl)manganese(I) Scaffold To Achieve High Robustness and High Enantioselectivity.","Journal of the American Chemical Society","2017","139","4","1545","1553","10.1021/jacs.6b11243","","","0.71075","MoKα","","0.0539","0.0401","","","0.0961","0.1024","","","","","","1.026","","","","has coordinates","193502","2020-10-21","18:00:00",""
"4125533","11.193","0.002","7.1614","0.0013","23.653","0.004","90","","98.978","0.003","90","","1872.7","0.6","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C88 H100 N4 O12 -","4","1","","Xiong, Peng; Xu, He-Huan; Xu, Hai-Chao","Metal- and Reagent-Free Intramolecular Oxidative Amination of Tri- and Tetrasubstituted Alkenes.","Journal of the American Chemical Society","2017","139","8","2956","2959","10.1021/jacs.7b01016","","","0.71073","MoKα","","0.0554","0.0476","","","0.1246","0.1305","","","","","","0.941","","","","has coordinates","193482","2020-10-21","18:00:00",""
"4125534","16.929","0.003","11.5469","0.0015","33.309","0.005","90","","95.231","0.004","90","","6484","1.7","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","decasilaisotwistane","permethyltricyclo[4.3.1.0^3,7^]decasilane","","- C16 H48 Si10 -","- C16 H48 Si10 -","- C128 H384 Si80 -","8","1","","Tsurusaki, Akihiro; Koyama, Yu; Kyushin, Soichiro","Decasilahexahydrotriquinacene and Decasilaisotwistane: σ Conjugation on a Bowl Surface.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00250","","","0.71075","MoKα","","0.0332","0.0313","","","0.0708","0.0722","","","","","","1.074","","","","has coordinates","192588","2020-10-21","18:00:00",""
"4125535","18.9935","0.0005","18.9935","0.0005","50.612","0.003","90","","90","","90","","18258.4","1.3","200","2","200","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C148 H136 Cl12 -","- C148 H136 Cl12 -","- C592 H544 Cl48 -","4","","","Moneypenny, 2nd, Timothy P; Walter, Nathan P.; Cai, Zhikun; Miao, Yu-Run; Gray, Danielle L.; Hinman, Jordan J.; Lee, Semin; Zhang, Yang; Moore, Jeffrey S.","Impact of Shape Persistence on the Porosity of Molecular Cages.","Journal of the American Chemical Society","2017","139","8","3259","3264","10.1021/jacs.7b00189","","","1.2399","synchrotron","","0.106","0.0881","","","0.2624","0.2817","","","","","","1.083","","","","has coordinates,has disorder","193483","2020-10-21","18:00:00",""
"4125536","13.407","0.002","13.407","0.002","24.102","0.004","90","","90","","90","","4332.3","1.2","133","2","133","2","","","","","","","","5","P 43","P 4cw","78","Ni(14-TMC)(NO3)2","","","- C16 H35 N7 Ni O6 -","- C16 H35 N7 Ni O6 -","- C128 H280 N56 Ni8 O48 -","8","2","","Derrick, Jeffrey S.; Lee, Jiwan; Lee, Shin Jung C.; Kim, Yujeong; Nam, Eunju; Tak, Hyeonwoo; Kang, Juhye; Lee, Misun; Kim, Sun Hee; Park, Kiyoung; Cho, Jaeheung; Lim, Mi Hee","Mechanistic Insights into Tunable Metal-Mediated Hydrolysis of Amyloid-β Peptides.","Journal of the American Chemical Society","2017","139","6","2234","2244","10.1021/jacs.6b09681","","","0.71073","MoKa","","0.1107","0.0587","","","0.1376","0.1649","","","","","","0.973","","","","has coordinates","193510","2020-10-21","18:00:00",""
"4125537","17.067","0.0008","12.9148","0.0006","8.7358","0.0005","90","","90","","90","","1925.52","0.17","113","2","113","2","","","","","","","","5","P n a 21","P 2c -2n","33","Co(14-TMC)(NO3)2","","","- C14 H32 Co N6 O6 -","- C14 H32 Co N6 O6 -","- C56 H128 Co4 N24 O24 -","4","1","","Derrick, Jeffrey S.; Lee, Jiwan; Lee, Shin Jung C.; Kim, Yujeong; Nam, Eunju; Tak, Hyeonwoo; Kang, Juhye; Lee, Misun; Kim, Sun Hee; Park, Kiyoung; Cho, Jaeheung; Lim, Mi Hee","Mechanistic Insights into Tunable Metal-Mediated Hydrolysis of Amyloid-β Peptides.","Journal of the American Chemical Society","2017","139","6","2234","2244","10.1021/jacs.6b09681","","","0.71073","MoKa","","0.0925","0.0574","","","0.1431","0.1634","","","","","","1.048","","","","has coordinates","193510","2020-10-21","18:00:00",""
"4125538","7.8523","0.0001","9.3906","0.0002","11.5779","0.0008","77.261","0.005","84.541","0.006","71.939","0.005","791.35","0.06","85","2","85","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O -","- C22 H18 O -","- C44 H36 O2 -","2","1","","McAtee, Christopher C.; Riehl, Paul S.; Schindler, Corinna S.","Polycyclic Aromatic Hydrocarbons via Iron(III)-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2017","139","8","2960","2963","10.1021/jacs.7b01114","","","1.54178","CuKα","","0.0454","0.0446","","","0.1039","0.1045","","","","","","1.122","","","","has coordinates","193484","2020-10-21","18:00:00",""
"4125539","6.75939","0.00009","10.99247","0.00011","27.3555","0.0003","90","","90","","90","","2032.58","0.04","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 N2 O6 -","- C24 H16 N2 O6 -","- C96 H64 N8 O24 -","4","1","","Raut, Vivek S.; Jean, Marion; Vanthuyne, Nicolas; Roussel, Christian; Constantieux, Thierry; Bressy, Cyril; Bugaut, Xavier; Bonne, Damien; Rodriguez, Jean","Enantioselective Syntheses of Furan Atropisomers by an Oxidative Central-to-Axial Chirality Conversion Strategy.","Journal of the American Chemical Society","2017","139","6","2140","2143","10.1021/jacs.6b11079","","x-ray","1.54184","CuKα","","0.0305","0.0301","","","0.0814","0.0818","","","","","","1.037","","","","has coordinates","193511","2020-10-21","18:00:00",""
"4125540","18.09886","0.00014","18.09886","0.00014","13.84162","0.00014","90","","90","","120","","3926.63","0.06","293","","293","","","","","","","","","5","P 31","P 31","144","","","","- C19 H14 Br N O4 -","- C19 H14 Br N O4 -","- C171 H126 Br9 N9 O36 -","9","3","","Raut, Vivek S.; Jean, Marion; Vanthuyne, Nicolas; Roussel, Christian; Constantieux, Thierry; Bressy, Cyril; Bugaut, Xavier; Bonne, Damien; Rodriguez, Jean","Enantioselective Syntheses of Furan Atropisomers by an Oxidative Central-to-Axial Chirality Conversion Strategy.","Journal of the American Chemical Society","2017","139","6","2140","2143","10.1021/jacs.6b11079","","x-ray","1.54184","CuKα","","0.0382","0.0369","","","0.0995","0.1011","","","","","","1.064","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4125541","9.95597","0.00012","7.08249","0.00009","11.73782","0.00013","90","","94.2701","0.0011","90","","825.372","0.017","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H12 Br N O4 -","- C19 H12 Br N O4 -","- C38 H24 Br2 N2 O8 -","2","1","","Raut, Vivek S.; Jean, Marion; Vanthuyne, Nicolas; Roussel, Christian; Constantieux, Thierry; Bressy, Cyril; Bugaut, Xavier; Bonne, Damien; Rodriguez, Jean","Enantioselective Syntheses of Furan Atropisomers by an Oxidative Central-to-Axial Chirality Conversion Strategy.","Journal of the American Chemical Society","2017","139","6","2140","2143","10.1021/jacs.6b11079","","x-ray","1.54184","CuKα","","0.0287","0.0284","","","0.0768","0.0773","","","","","","1.062","","","","has coordinates","193511","2020-10-21","18:00:00",""
"4125542","21.544","0.019","7.164","0.006","12.564","0.011","90","","98.611","0.012","90","","1917","3","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 B2 F2 O4 -","- C18 H26 B2 F2 O4 -","- C72 H104 B8 F8 O16 -","4","0.5","","Shoji, Yoshiaki; Ikabata, Yasuhiro; Wang, Qi; Nemoto, Daisuke; Sakamoto, Atsushi; Tanaka, Naoki; Seino, Junji; Nakai, Hiromi; Fukushima, Takanori","Unveiling a New Aspect of Simple Arylboronic Esters: Long-Lived Room-Temperature Phosphorescence from Heavy-Atom-Free Molecules.","Journal of the American Chemical Society","2017","139","7","2728","2733","10.1021/jacs.6b11984","","","0.71073","MoKα","","0.0435","0.035","","","0.082","0.0861","","","","","","1.06","","","","has coordinates","193517","2020-10-21","18:00:00",""
"4125543","12.799","0.004","7.758","0.003","10.736","0.004","90","","108.119","0.004","90","","1013.2","0.6","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 B2 O4 -","- C10 H12 B2 O4 -","- C40 H48 B8 O16 -","4","1","","Shoji, Yoshiaki; Ikabata, Yasuhiro; Wang, Qi; Nemoto, Daisuke; Sakamoto, Atsushi; Tanaka, Naoki; Seino, Junji; Nakai, Hiromi; Fukushima, Takanori","Unveiling a New Aspect of Simple Arylboronic Esters: Long-Lived Room-Temperature Phosphorescence from Heavy-Atom-Free Molecules.","Journal of the American Chemical Society","2017","139","7","2728","2733","10.1021/jacs.6b11984","","","0.71073","MoKα","","0.0392","0.0339","","","0.0858","0.0894","","","","","","1.098","","","","has coordinates","193517","2020-10-21","18:00:00",""
"4125544","6.5342","0.0007","14.3432","0.0015","11.1367","0.0012","90","","95.372","0.001","90","","1039.16","0.19","456","","456","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 B2 O4 -","- C20 H32 B2 O4 -","- C40 H64 B4 O8 -","2","0.5","","Shoji, Yoshiaki; Ikabata, Yasuhiro; Wang, Qi; Nemoto, Daisuke; Sakamoto, Atsushi; Tanaka, Naoki; Seino, Junji; Nakai, Hiromi; Fukushima, Takanori","Unveiling a New Aspect of Simple Arylboronic Esters: Long-Lived Room-Temperature Phosphorescence from Heavy-Atom-Free Molecules.","Journal of the American Chemical Society","2017","139","7","2728","2733","10.1021/jacs.6b11984","","","0.71073","MoKα","","0.0371","0.0362","","","0.0893","0.09","","","","","","1.055","","","","has coordinates","193517","2020-10-21","18:00:00",""
"4125545","17.3782","0.0005","24.308","0.0007","29.6232","0.0008","90","","100.01","0.002","90","","12323.2","0.6","100","","99.99","","","","","","","","","4","P 1 21 1","P 2yb","4","","NDI Cage","","- C124 H116 N12 O12 -","- C124 H116 N12 O12 -","- C496 H464 N48 O48 -","4","2","","Šolomek, Tomáš; Powers-Riggs, Natalia E; Wu, Yi-Lin; Young, Ryan M.; Krzyaniak, Matthew D.; Horwitz, Noah E.; Wasielewski, Michael R.","Electron Hopping and Charge Separation within a Naphthalene-1,4:5,8-bis(dicarboximide) Chiral Covalent Organic Cage.","Journal of the American Chemical Society","2017","139","9","3348","3351","10.1021/jacs.7b00233","","x-ray","1.54178","CuKα","","0.1539","0.0887","","","0.2","0.2468","","","","","","0.98","","","","has coordinates","194840","2020-10-21","18:00:00",""
"4125546","17.0811","0.0005","33.4347","0.001","21.6852","0.0006","90","","90","","90","","12384.4","0.6","100","","99.99","","","","","","","","","4","C 2 2 21","C 2c 2","20","","NDI Cage Nitrobenzene","","- C120 H102 N16 O20 -","- C120 H102 N16 O20 -","- C480 H408 N64 O80 -","4","0.5","","Šolomek, Tomáš; Powers-Riggs, Natalia E; Wu, Yi-Lin; Young, Ryan M.; Krzyaniak, Matthew D.; Horwitz, Noah E.; Wasielewski, Michael R.","Electron Hopping and Charge Separation within a Naphthalene-1,4:5,8-bis(dicarboximide) Chiral Covalent Organic Cage.","Journal of the American Chemical Society","2017","139","9","3348","3351","10.1021/jacs.7b00233","","","1.54178","CuKα","","0.0593","0.0575","","","0.169","0.1727","","","","","","1.092","","","","has coordinates","194840","2020-10-21","18:00:00",""
"4125547","18.6825","0.0012","24.9889","0.0014","26.0603","0.0017","75.543","0.005","77.656","0.005","89.992","0.005","11490.5","1.3","100","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C116.95 H107.85 N12 O12 -","- C116.95 H107.85 N12 O12 -","- C467.8 H431.4 N48 O48 -","4","2","","Šolomek, Tomáš; Powers-Riggs, Natalia E; Wu, Yi-Lin; Young, Ryan M.; Krzyaniak, Matthew D.; Horwitz, Noah E.; Wasielewski, Michael R.","Electron Hopping and Charge Separation within a Naphthalene-1,4:5,8-bis(dicarboximide) Chiral Covalent Organic Cage.","Journal of the American Chemical Society","2017","139","9","3348","3351","10.1021/jacs.7b00233","","","1.54178","CuKα","","0.2119","0.1307","","","0.3125","0.3482","","","","","","1.695","","","","has coordinates","194840","2020-10-21","18:00:00",""
"4125548","12.489","0.003","27.457","0.005","14.1","0.002","90","","104.753","0.006","90","","4675.6","1.6","100","2","100.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C106 H96 Co3 N14 O12 -","- C106 H96 Co3 N14 O12 -","- C212 H192 Co6 N28 O24 -","2","1","","Wu, Yilei; Krzyaniak, Matthew D.; Stoddart, J. Fraser; Wasielewski, Michael R.","Spin Frustration in the Triradical Trianion of a Naphthalenediimide Molecular Triangle.","Journal of the American Chemical Society","2017","139","8","2948","2951","10.1021/jacs.7b00515","","","1.54178","CuKα","","0.037","0.0341","","","0.0881","0.0899","","","","","","1.024","","","","has coordinates","193485","2020-10-21","18:00:00",""
"4125549","6.7441","0.0004","23.0301","0.0013","14.3273","0.0009","90","","103.073","0.002","90","","2167.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 F4 N4 -","- C25 H19 F4 N4 -","- C100 H76 F16 N16 -","4","1","","Travieso-Puente, Raquel; Budzak, Simon; Chen, Juan; Stacko, Peter; Jastrzebski, Johann T. B. H.; Jacquemin, Denis; Otten, Edwin","Arylazoindazole Photoswitches: Facile Synthesis and Functionalization via SNAr Substitution.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b12585","","","1.54178","CuKα","","0.0639","0.0463","","","0.0996","0.1059","","","","","","1.076","","","","has coordinates","192603","2020-10-21","18:00:00",""
"4125550","13.194","0.003","38.114","0.007","14.65","0.003","90","","90","","90","","7367","3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H16 F4 N4 -","- C22 H16 F4 N4 -","- C352 H256 F64 N64 -","16","2","","Travieso-Puente, Raquel; Budzak, Simon; Chen, Juan; Stacko, Peter; Jastrzebski, Johann T. B. H.; Jacquemin, Denis; Otten, Edwin","Arylazoindazole Photoswitches: Facile Synthesis and Functionalization via SNAr Substitution.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b12585","","","0.71073","MoKα","","0.0963","0.0537","","","0.1132","0.1274","","","","","","1.093","","","","has coordinates","192604","2020-10-21","18:00:00",""
"4125551","18.8485","0.0017","41.389","0.004","26.821","0.003","90","","99.494","0.004","90","","20637","4","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C197.83 H311.84 B4 Fe4 K8 O9.96 P12 -","- C197.795 H311.68 B4 Fe4 K8 O9.995 P12 -","- C791.18 H1246.72 B16 Fe16 K32 O39.98 P48 -","4","1","","Deegan, Meaghan M.; Peters, Jonas C.","CO Reduction to CH3OSiMe3: Electrophile-Promoted Hydride Migration at a Single Fe Site.","Journal of the American Chemical Society","2017","139","7","2561","2564","10.1021/jacs.6b12444","","","0.71073","MoKα","","0.1605","0.095","","","0.1814","0.2029","","","","","","1.119","","","","has coordinates,has disorder","193518","2020-10-21","18:00:00",""
"4125552","14.965","0.002","19.074","0.003","16.191","0.002","90","","103.987","0.005","90","","4484.6","1.1","100","2","99.97","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H64.03 B Fe K O2 P3 -","- C41 H64.09 B Fe K O2 P3 -","- C164 H256.36 B4 Fe4 K4 O8 P12 -","4","1","","Deegan, Meaghan M.; Peters, Jonas C.","CO Reduction to CH3OSiMe3: Electrophile-Promoted Hydride Migration at a Single Fe Site.","Journal of the American Chemical Society","2017","139","7","2561","2564","10.1021/jacs.6b12444","","","0.71073","MoKα","","0.1263","0.092","","","0.2679","0.3062","","","","","","1.043","","","","has coordinates,has disorder","193518","2020-10-21","18:00:00",""
"4125553","11.2309","0.0019","23.142","0.004","20.143","0.003","90","","97.191","0.006","90","","5194.1","1.5","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H87 B Fe K O5 P3 -","- C53 H87 B Fe K O5 P3 -","- C212 H348 B4 Fe4 K4 O20 P12 -","4","1","","Deegan, Meaghan M.; Peters, Jonas C.","CO Reduction to CH3OSiMe3: Electrophile-Promoted Hydride Migration at a Single Fe Site.","Journal of the American Chemical Society","2017","139","7","2561","2564","10.1021/jacs.6b12444","","","0.71073","MoKα","","0.071","0.0458","","","0.1097","0.1208","","","","","","1.015","","","","has coordinates,has disorder","193518","2020-10-21","18:00:00",""
"4125554","10.9781","0.0013","15.8664","0.0018","20.543","0.002","90","","103.016","0.004","90","","3486.3","0.7","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H55 B Fe O P3 -","- C37 H55 B Fe O P3 -","- C148 H220 B4 Fe4 O4 P12 -","4","1","","Deegan, Meaghan M.; Peters, Jonas C.","CO Reduction to CH3OSiMe3: Electrophile-Promoted Hydride Migration at a Single Fe Site.","Journal of the American Chemical Society","2017","139","7","2561","2564","10.1021/jacs.6b12444","","","0.71073","MoKα","","0.0322","0.0267","","","0.0682","0.0709","","","","","","1.034","","","","has coordinates","193518","2020-10-21","18:00:00",""
"4125555","10.9056","0.0007","11.3906","0.0007","20.2061","0.0014","78.666","0.002","78.736","0.002","62.016","0.002","2157.9","0.2","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C41.31 H68.26 B Fe O1.32 P3 Si -","- C41.319 H68.295 B Fe O1.326 P3 Si -","- C82.638 H136.59 B2 Fe2 O2.652 P6 Si2 -","2","1","","Deegan, Meaghan M.; Peters, Jonas C.","CO Reduction to CH3OSiMe3: Electrophile-Promoted Hydride Migration at a Single Fe Site.","Journal of the American Chemical Society","2017","139","7","2561","2564","10.1021/jacs.6b12444","","","0.71073","MoKα","","0.1234","0.0716","","","0.1618","0.187","","","","","","1.04","","","","has coordinates,has disorder","193518","2020-10-21","18:00:00",""
"4125556","16.7064","0.0017","13.0153","0.0014","15.7175","0.0017","90","","90","","90","","3417.6","0.6","173","2","173","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C38 H35 F4 Fe N2 O2 P -","- C38 H35 F4 Fe N2 O2 P -","- C152 H140 F16 Fe4 N8 O8 P4 -","4","0.5","","Liu, Jian; Hu, Lianrui; Wang, Lei; Chen, Hui; Deng, Liang","An Iron(II) Ylide Complex as A Masked Open-Shell Iron Alkylidene Species in Its Alkylidene-Transfer Reactions with Alkenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00484","","","0.71073","MoKα","","0.0545","0.0445","","","0.1118","0.1184","","","","","","1.019","","","","has coordinates","192606","2020-10-21","18:00:00",""
"4125557","9.3415","0.0011","21.375","0.003","21.794","0.003","90","","90.733","0.002","90","","4351.4","1","130","2","130","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H47 F4 Fe N2 O P -","- C55 H47 F4 Fe N2 O P -","- C220 H188 F16 Fe4 N8 O4 P4 -","4","1","","Liu, Jian; Hu, Lianrui; Wang, Lei; Chen, Hui; Deng, Liang","An Iron(II) Ylide Complex as A Masked Open-Shell Iron Alkylidene Species in Its Alkylidene-Transfer Reactions with Alkenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00484","","","0.71073","MoKα","","0.1167","0.0742","","","0.1876","0.2232","","","","","","1.025","","","","has coordinates","192606","2020-10-21","18:00:00",""
"4125558","25.597","0.004","15.54","0.002","27.911","0.004","90","","113.193","0.003","90","","10205","3","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","La2c2@C2-C90 Ni(OEP)","La2c2@C2-C90 Ni(OEP)","","- C336 H144 La4 N12 Ni3 -","- C336 H144 La4.002 N12 Ni3 -","- C672 H288 La8.004 N24 Ni6 -","2","0.25","","Zhao, Shasha; Zhao, Pei; Cai, Wenting; Bao, Lipiao; Chen, Muqing; Xie, Yunpeng; Zhao, Xiang; Lu, Xing","Stabilization of Giant Fullerenes C2(41)-C90, D3(85)-C92, C1(132)-C94, C2(157)-C96, and C1(175)-C98 by Encapsulation of a Large La2C2 Cluster: The Importance of Cluster-Cage Matching.","Journal of the American Chemical Society","2017","139","13","4724","4728","10.1021/jacs.6b11970","","","0.71073","MoKα","","0.1601","0.1031","","","0.2806","0.3244","","","","","","1.023","","","","has coordinates,has disorder","197434","2020-10-21","18:00:00",""
"4125559","25.684","0.002","14.9762","0.0012","21.4659","0.0017","90","","97.945","0.002","90","","8177.6","1.1","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","La2c2@D3-C92 Ni(OEP)","La2c2@D3-C92 Ni(OEP)","","- C142 H54 Cl2 La2 N4 Ni -","- C142 H54 Cl2 La2.0002 N4 Ni -","- C568 H216 Cl8 La8.0008 N16 Ni4 -","4","0.5","","Zhao, Shasha; Zhao, Pei; Cai, Wenting; Bao, Lipiao; Chen, Muqing; Xie, Yunpeng; Zhao, Xiang; Lu, Xing","Stabilization of Giant Fullerenes C2(41)-C90, D3(85)-C92, C1(132)-C94, C2(157)-C96, and C1(175)-C98 by Encapsulation of a Large La2C2 Cluster: The Importance of Cluster-Cage Matching.","Journal of the American Chemical Society","2017","139","13","4724","4728","10.1021/jacs.6b11970","","","0.71073","MoKα","","0.0802","0.0572","","","0.1602","0.1824","","","","","","1.049","","","","has coordinates,has disorder","197434","2020-10-21","18:00:00",""
"4125560","14.4951","0.0015","13.7676","0.0014","18.7348","0.0019","90","","106.359","0.003","90","","3587.4","0.6","123","","123","","","","","","","","Cathrin Ertl","8","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H27 Cl3 F6 Ir N4 P S -","- C34 H24 F6 Ir N4 P S -","- C136 H96 F24 Ir4 N16 P4 S4 -","4","1","","Ertl, Cathrin D.; Momblona, Cristina; Pertegás, Antonio; Junquera-Hernández, José M; La-Placa, Maria-Grazia; Prescimone, Alessandro; Ortí, Enrique; Housecroft, Catherine E.; Constable, Edwin C.; Bolink, Henk J.","Highly Stable Red-Light-Emitting Electrochemical Cells.","Journal of the American Chemical Society","2017","139","8","3237","3248","10.1021/jacs.6b13311","","","1.5418","CuKα","","0.0244","0.0243","","0.0547","0.0546","0.0547","","","","","","0.9999","","","","has coordinates","193486","2020-10-21","18:00:00",""
"4125561","9.3852","0.0003","11.2499","0.0005","21.9773","0.001","90","","92.826","0.003","90","","2317.6","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hv-03-203-DCE/heptane","sarpong123","","- C27 H25 N5 O Pd -","- C27 H25 N5 O Pd -","- C108 H100 N20 O4 Pd4 -","4","1","","Viart, Hélène M-F; Bachmann, Andreas; Kayitare, William; Sarpong, Richmond","β-Carboline Amides as Intrinsic Directing Groups for C(sp(2))-H Functionalization.","Journal of the American Chemical Society","2017","139","3","1325","1329","10.1021/jacs.6b12569","","","1.54178","CuKα","","0.0499","0.0364","","","0.0838","0.0893","","","","","","1.041","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125562","8.3902","0.0004","21.3216","0.0011","13.1829","0.0006","90","","91.952","0.003","90","","2357","0.2","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","((1,4,9,14-tetramethylnaphtho[2',3':3,4]cyclobuta[1,2-b]naphtho[2',3':3,4] cyclobuta[1,2-i]anthracene-7,16-diyl)bis(ethyne-2,1-diyl)) bis(triisopropylsilane)","","- C60 H66 Si2 -","- C60 H66 Si2 -","- C120 H132 Si4 -","2","0.5","","Jin, Zexin; Teo, Yew Chin; Zulaybar, Nicolo G.; Smith, Matthew D.; Xia, Yan","Streamlined Synthesis of Polycyclic Conjugated Hydrocarbons Containing Cyclobutadienoids via C-H Activated Annulation and Aromatization.","Journal of the American Chemical Society","2017","139","5","1806","1809","10.1021/jacs.6b12888","","x-ray","0.7749","","","0.0677","0.0473","","","0.1143","0.124","","","","","","1.018","","","","has coordinates","193496","2020-10-21","18:00:00",""
"4125563","9.1847","0.0004","26.7032","0.0009","9.8011","0.0004","90","","92.742","0.004","90","","2401.07","0.16","176","2","176","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H46 Cl2 N8 O7 S5 -","- C34 H46 Cl2 N8 O7 S5 -","- C68 H92 Cl4 N16 O14 S10 -","2","1","","Cao, Jinlian; Yan, Xiaosheng; He, Wenbin; Li, Xiaorui; Li, Zhao; Mo, Yirong; Liu, Maili; Jiang, Yun-Bao","C-I···π Halogen Bonding Driven Supramolecular Helix of Bilateral N-Amidothioureas Bearing β-Turns.","Journal of the American Chemical Society","2017","139","19","6605","6610","10.1021/jacs.6b13171","","","0.71073","MoKα","","0.1461","0.1263","","","0.3341","0.3549","","","","","","1.296","","","","has coordinates","197417","2020-10-21","18:00:00",""
"4125564","10.1456","0.0006","14.9723","0.0008","17.5828","0.0009","65.938","0.005","87.435","0.004","88.087","0.004","2436","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C36 H28 I2 N8 O8 S6 -","- C36 H28 I2 N8 O8 S6 -","- C72 H56 I4 N16 O16 S12 -","2","2","","Cao, Jinlian; Yan, Xiaosheng; He, Wenbin; Li, Xiaorui; Li, Zhao; Mo, Yirong; Liu, Maili; Jiang, Yun-Bao","C-I···π Halogen Bonding Driven Supramolecular Helix of Bilateral N-Amidothioureas Bearing β-Turns.","Journal of the American Chemical Society","2017","139","19","6605","6610","10.1021/jacs.6b13171","","","1.54184","CuKα","","0.0883","0.0744","","","0.1959","0.2071","","","","","","1.048","","","","has coordinates,has disorder","197417","2020-10-21","18:00:00",""
"4125565","11.9413","0.00017","10.41973","0.00013","10.43","0.0002","90","","98.2799","0.0017","90","","1284.23","0.04","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N2 Se -","- C12 H22 N2 Se -","- C48 H88 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.0561","0.0508","","","0.1296","0.1349","","","","","","1.029","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125566","6.2032","0.0002","9.9913","0.0005","17.2951","0.0007","90","","92.004","0.004","90","","1071.26","0.08","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 N2 Se -","- C9 H18 N2 Se -","- C36 H72 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","0.71073","MoKα","","0.0474","0.035","","","0.0602","0.0639","","","","","","1.076","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125567","11.35852","0.00009","12.23104","0.00006","11.94506","0.00011","90","","117.123","0.0011","90","","1476.99","0.02","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H26 N2 Se -","- C13 H26 N2 Se -","- C52 H104 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.0184","0.0183","","","0.0469","0.047","","","","","","1.076","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125568","11.934","0.0003","9.8566","0.0003","11.2837","0.0003","90","","90","","90","","1327.29","0.06","100","2","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H22 N2 Se -","- C11 H22 N2 Se -","- C44 H88 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","0.71073","MoKα","","0.0457","0.0344","","","0.0583","0.0616","","","","","","1.08","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125569","10.16777","0.00007","13.46789","0.0001","10.1804","0.0001","90","","90","","90","","1394.09","0.02","100","0.3","100","0.3","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H22 N2 Se -","- C13 H22 N2 Se -","- C52 H88 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.03","0.0299","","","0.0804","0.0805","","","","","","1.088","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125570","10.58561","0.00017","10.51744","0.00017","9.66073","0.00016","90","","96.1599","0.0015","90","","1069.35","0.03","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 N2 Se -","- C9 H18 N2 Se -","- C36 H72 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","0.71073","MoKα","","0.0291","0.0238","","","0.0489","0.0507","","","","","","1.068","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125571","9.1761","0.0003","10.9659","0.0003","23.4534","0.0008","90","","90","","90","","2359.98","0.13","100","2","100.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H20 N2 Se -","- C11 H20 N2 Se -","- C88 H160 N16 Se8 -","8","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","0.71073","MoKα","","0.0555","0.0399","","","0.0589","0.062","","","","","","1.139","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125572","20.94407","0.00019","9.68682","0.0001","6.187","0.00006","90","","90","","90","","1255.23","0.02","99.9","0.4","99.9","0.4","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H22 N2 Se -","- C11 H22 N2 Se -","- C44 H88 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.04","0.0394","","","0.099","0.1001","","","","","","1.034","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125573","11.4233","0.00009","10.80265","0.00008","18.95402","0.00015","90","","90","","90","","2338.96","0.03","100","0.4","100","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H20 N2 Se -","- C10 H20 N2 Se -","- C80 H160 N16 Se8 -","8","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.0395","0.0377","","","0.1017","0.104","","","","","","1.079","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125574","13.4556","0.0014","20.0405","0.0006","6.243","0.002","90","","90","","90","","1683.5","0.6","130","2","130","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H30 N2 Se -","- C15 H30 N2 Se -","- C60 H120 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","","0.71073","MoKα","","0.039","0.0303","","","0.0677","0.0702","","","","","","1.028","","","","has coordinates,has disorder","193512","2020-10-21","18:00:00",""
"4125575","11.4123","0.0003","9.6891","0.0002","9.83","0.0002","90","","95.698","0.002","90","","1081.58","0.04","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 N2 Se -","- C9 H18 N2 Se -","- C36 H72 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","0.71073","MoKα","","0.0365","0.0294","","","0.0612","0.0635","","","","","","1.079","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125576","5.4557","0.0002","12.6064","0.0003","11.1113","0.0003","90","","94.681","0.003","90","","761.65","0.04","200","0.1","200","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H12 N2 Se -","- C5 H12 N2 Se -","- C20 H48 N8 Se4 -","4","0.5","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.0432","0.0423","","","0.1099","0.1112","","","","","","1.086","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125577","14.2487","0.0005","6.0376","0.00015","17.5143","0.0005","90","","95.262","0.003","90","","1500.37","0.08","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N2 Se -","- C16 H22 N2 Se -","- C64 H88 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.053","0.0475","","","0.1264","0.1308","","","","","","1.09","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125578","6.22247","0.0001","10.03939","0.00018","15.0636","0.0002","90","","100.345","0.0015","90","","925.72","0.03","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H16 N2 Se -","- C7 H16 N2 Se -","- C28 H64 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","0.71073","MoKα","","0.0262","0.0216","","","0.0451","0.0465","","","","","","1.062","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125579","24.2552","0.0005","9.97679","0.00019","10.9577","0.0002","90","","102.715","0.002","90","","2586.62","0.09","100","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N2 Se -","- C12 H22 N2 Se -","- C96 H176 N16 Se8 -","8","2","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.0342","0.0329","","","0.0842","0.086","","","","","","1.116","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125580","13.8039","0.0004","10.8191","0.0003","19.1497","0.0006","90","","105.025","0.001","90","","2762.15","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H50 N2 Ni Si2 -","- C24 H50 N2 Ni Si2 -","- C96 H200 N8 Ni4 Si8 -","4","1","","Palmer, W. Neil; Zarate, Cayetana; Chirik, Paul J.","Benzyltriboronates: Building Blocks for Diastereoselective Carbon-Carbon Bond Formation.","Journal of the American Chemical Society","2017","139","7","2589","2592","10.1021/jacs.6b12896","","","0.71073","MoKα","","0.0422","0.0344","","","0.0875","0.0928","","","","","","1.072","","","","has coordinates","193519","2020-10-21","18:00:00",""
"4125581","10.3974","0.0006","11.1012","0.0006","15.5433","0.0008","71.692","0.002","80.489","0.002","64.912","0.002","1541.49","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H56 N4 Ni -","- C32 H56 N4 Ni -","- C64 H112 N8 Ni2 -","2","1","","Palmer, W. Neil; Zarate, Cayetana; Chirik, Paul J.","Benzyltriboronates: Building Blocks for Diastereoselective Carbon-Carbon Bond Formation.","Journal of the American Chemical Society","2017","139","7","2589","2592","10.1021/jacs.6b12896","","","0.71073","MoKα","","0.1178","0.0905","","","0.218","0.2338","","","","","","1.031","","","","has coordinates","193519","2020-10-21","18:00:00",""
"4125582","10.7916","0.0006","12.1449","0.0007","19.7733","0.0011","90","","91.615","0.002","90","","2590.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 B2 O6 -","- C25 H40 B2 O6 -","- C100 H160 B8 O24 -","4","1","","Palmer, W. Neil; Zarate, Cayetana; Chirik, Paul J.","Benzyltriboronates: Building Blocks for Diastereoselective Carbon-Carbon Bond Formation.","Journal of the American Chemical Society","2017","139","7","2589","2592","10.1021/jacs.6b12896","","","1.54178","CuKα","","0.0593","0.0569","","","0.1497","0.153","","","","","","0.889","","","","has coordinates,has disorder","193519","2020-10-21","18:00:00",""
"4125583","38.3946","0.0017","10.3577","0.0004","17.4348","0.0007","90","","115.662","0.002","90","","6249.6","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H45 B2 F O6 -","- C32 H45 B2 F O6 -","- C256 H360 B16 F8 O48 -","8","1","","Palmer, W. Neil; Zarate, Cayetana; Chirik, Paul J.","Benzyltriboronates: Building Blocks for Diastereoselective Carbon-Carbon Bond Formation.","Journal of the American Chemical Society","2017","139","7","2589","2592","10.1021/jacs.6b12896","","","1.54178","CuKα","","0.0436","0.0397","","","0.1122","0.1249","","","","","","1.062","","","","has coordinates,has disorder","193519","2020-10-21","18:00:00",""
"4125584","8.3942","0.0013","19.545","0.003","19.698","0.003","90","","94.203","0.002","90","","3223.1","0.9","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H48 Si2 -","- C37 H48 Si2 -","- C148 H192 Si8 -","4","1","","Shintani, Ryo; Misawa, Nana; Tsuda, Tomohiro; Iino, Ryo; Fujii, Mikiya; Yamashita, Koichi; Nozaki, Kyoko","Synthesis of Quinoidal Fused Oligosiloles by Rhodium-Catalyzed Stitching Reaction and Theoretical Investigation of Their Properties.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00344","","","0.71075","MoKα","","0.0569","0.0477","","","0.124","0.1316","","","","","","1.097","","","","has coordinates","192630","2020-10-21","18:00:00",""
"4125585","11.8978","0.0007","19.8913","0.0011","41.593","0.003","90","","90","","90","","9843.5","1.1","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C53 H76 Si4 -","- C53 H76 Si4 -","- C424 H608 Si32 -","8","1","","Shintani, Ryo; Misawa, Nana; Tsuda, Tomohiro; Iino, Ryo; Fujii, Mikiya; Yamashita, Koichi; Nozaki, Kyoko","Synthesis of Quinoidal Fused Oligosiloles by Rhodium-Catalyzed Stitching Reaction and Theoretical Investigation of Their Properties.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00344","","","0.71075","MoKα","","0.082","0.0796","","","0.1832","0.1852","","","","","","1.212","","","","has coordinates,has disorder","192631","2020-10-21","18:00:00",""
"4125586","12.8836","0.0004","17.8107","0.0005","21.6813","0.0007","95.049","0.001","106.674","0.001","95.903","0.001","4704.5","0.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H111 Au B F24 P3 Pt -","- C90.0005 H111 Au B F24.001 P3 Pt -","- C180.001 H222 Au2 B2 F48.002 P6 Pt2 -","2","1","","Campos, Jesús","Dihydrogen and Acetylene Activation by a Gold(I)/Platinum(0) Transition Metal Only Frustrated Lewis Pair.","Journal of the American Chemical Society","2017","139","8","2944","2947","10.1021/jacs.7b00491","","","0.71073","MoKα","","0.094","0.0498","","","0.1069","0.1271","","","","","","1.03","","","","has coordinates,has disorder","193487","2020-10-21","18:00:00",""
"4125587","17.7729","0.0005","18.5761","0.0006","22.1488","0.0007","90","","103.537","0.001","90","","7109.3","0.4","193","2","193","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C64 H103 Au F6 N O4 P3 Pt S2 -","- C64 H103 Au F6 N O4 P3 Pt S2 -","- C256 H412 Au4 F24 N4 O16 P12 Pt4 S8 -","4","1","","Campos, Jesús","Dihydrogen and Acetylene Activation by a Gold(I)/Platinum(0) Transition Metal Only Frustrated Lewis Pair.","Journal of the American Chemical Society","2017","139","8","2944","2947","10.1021/jacs.7b00491","","","0.71073","MoKα","","0.0309","0.0288","","","0.0718","0.0731","","","","","","1.022","","","","has coordinates,has disorder","193487","2020-10-21","18:00:00",""
"4125588","26.743","0.0006","12.8498","0.0003","20.3054","0.0005","90","","107.367","0.001","90","","6659.7","0.3","193","2","193","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C60 H99 Au F6 N O4 P3 Pt S2 -","- C60 H99 Au F6 N O4 P3 Pt S2 -","- C240 H396 Au4 F24 N4 O16 P12 Pt4 S8 -","4","1","","Campos, Jesús","Dihydrogen and Acetylene Activation by a Gold(I)/Platinum(0) Transition Metal Only Frustrated Lewis Pair.","Journal of the American Chemical Society","2017","139","8","2944","2947","10.1021/jacs.7b00491","","","0.71073","MoKα","","0.0765","0.0489","","","0.1442","0.1809","","","","","","0.942","","","","has coordinates,has disorder","193487","2020-10-21","18:00:00",""
"4125589","9.5002","0.0002","12.7386","0.0003","16.6006","0.0004","90","","90.605","0.001","90","","2008.88","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 N2 O Si -","- C23 H26 N2 O Si -","- C92 H104 N8 O4 Si4 -","4","2","","Gribble, Jr, Michael W; Pirnot, Michael T.; Bandar, Jeffrey S.; Liu, Richard Y.; Buchwald, Stephen L.","Asymmetric Copper Hydride-Catalyzed Markovnikov Hydrosilylation of Vinylarenes and Vinyl Heterocycles.","Journal of the American Chemical Society","2017","139","6","2192","2195","10.1021/jacs.6b13029","","","1.54178","CuKα","","0.0308","0.0307","","","0.0834","0.0835","","","","","","1.034","","","","has coordinates,has disorder","193513","2020-10-21","18:00:00",""
"4125590","27.2965","0.0007","27.2965","0.0007","16.2071","0.0006","90","","90","","120","","10458","0.5","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","","","- C23 H29 B F4 O2 -","- C23 H29 B F4 O2 -","- C414 H522 B18 F72 O36 -","18","","","Lange, Ralph Z.; Hofer, Gregor; Weber, Thomas; Schlüter, A Dieter","A Two-Dimensional Polymer Synthesized through Topochemical [2 + 2]-Cycloaddition on the Multigram Scale.","Journal of the American Chemical Society","2017","139","5","2053","2059","10.1021/jacs.6b11857","","","0.6935","Synchrotron","","0.1938","0.1724","","","0.5211","0.5422","","","","","","2.136","","","","has coordinates,has disorder","193497","2020-10-21","18:00:00",""
"4125591","10.248","0.0006","15.0433","0.0008","16.9963","0.0008","85.397","0.005","82.509","0.005","87.759","0.006","2588.4","0.2","100","","100","","","","","","","","","2","P -1","-P 1","2","","Title","","- C38 H24 -","- C38 H24 -","- C152 H96 -","4","2","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","MoKα","","0.0749","0.0514","","","0.1265","0.1416","","","","","","1.087","","","","has coordinates","193503","2020-10-21","18:00:00",""
"4125592","9.6273","0.0014","9.6571","0.0014","14.569","0.002","106.794","0.002","91.195","0.003","104.193","0.002","1251","0.3","100","","100","","","","","","","","dichlormethane","2","P -1","-P 1","2","","Title","","- C38 H24 -","- C38 H24 -","- C76 H48 -","2","1","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","Mo-Kα","","0.0697","0.0604","","","0.1637","0.1728","","","","","","1.02","","","","has coordinates","193503","2020-10-21","18:00:00",""
"4125593","8.5356","0.0011","15.5623","0.0019","13.664","0.0017","90","","98.38","0.003","90","","1795.7","0.4","100","","100","","","","","","","","toluole","2","P 1 21/c 1","-P 2ybc","14","","Title","","- C28 H20 -","- C28 H20 -","- C112 H80 -","4","1","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","Mo-Kα","","0.07","0.0471","","","0.1181","0.132","","","","","","1.025","","","","has coordinates","193503","2020-10-21","18:00:00",""
"4125594","15.0339","0.0009","12.9751","0.0007","21.9518","0.0013","90","","93.558","0.004","90","","4273.8","0.4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 F3 Fe N O3 P3 S Si -","- C39 H57 F3 Fe N O3 P3 S Si -","- C156 H228 F12 Fe4 N4 O12 P12 S4 Si4 -","4","1","","Rittle, Jonathan; Peters, Jonas C.","N-H Bond Dissociation Enthalpies and Facile H Atom Transfers for Early Intermediates of Fe-N2 and Fe-CN Reductions.","Journal of the American Chemical Society","2017","139","8","3161","3170","10.1021/jacs.6b12861","","","0.71073","MoKα","","0.068","0.0461","","","0.0844","0.092","","","","","","1.032","","","","has coordinates","193488","2020-10-21","18:00:00",""
"4125595","12.6721","0.0016","16.407","0.002","19.169","0.002","106.503","0.005","99.988","0.005","100.24","0.005","3653","0.8","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C70.5 H71 B F24 Fe N O P3 Si -","- C70.5 H71 B F24 Fe N O P3 Si -","- C141 H142 B2 F48 Fe2 N2 O2 P6 Si2 -","2","1","","Rittle, Jonathan; Peters, Jonas C.","N-H Bond Dissociation Enthalpies and Facile H Atom Transfers for Early Intermediates of Fe-N2 and Fe-CN Reductions.","Journal of the American Chemical Society","2017","139","8","3161","3170","10.1021/jacs.6b12861","","","0.71073","MoKα","","0.0846","0.0491","","","0.1195","0.1338","","","","","","1.027","","","","has coordinates,has disorder","193488","2020-10-21","18:00:00",""
"4125596","17.19","0.0012","17.7939","0.0012","16.5123","0.0011","90","","97.288","0.004","90","","5009.9","0.6","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C46 H72.07 F3 Fe N2 O5 P3 S Si -","- C46 H72.064 F3 Fe N2 O5 P3 S Si -","- C184 H288.256 F12 Fe4 N8 O20 P12 S4 Si4 -","4","1","","Rittle, Jonathan; Peters, Jonas C.","N-H Bond Dissociation Enthalpies and Facile H Atom Transfers for Early Intermediates of Fe-N2 and Fe-CN Reductions.","Journal of the American Chemical Society","2017","139","8","3161","3170","10.1021/jacs.6b12861","","","0.71073","MoKα","","0.1104","0.0607","","","0.1201","0.1385","","","","","","1.028","","","","has coordinates,has disorder","193488","2020-10-21","18:00:00",""
"4125597","10.53","0.002","10.877","0.002","18.902","0.004","74.62","0.03","88.11","0.03","61.95","0.03","1831.5","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H57 Fe N P3 Si -","- C38 H57 Fe N P3 Si -","- C76 H114 Fe2 N2 P6 Si2 -","2","1","","Rittle, Jonathan; Peters, Jonas C.","N-H Bond Dissociation Enthalpies and Facile H Atom Transfers for Early Intermediates of Fe-N2 and Fe-CN Reductions.","Journal of the American Chemical Society","2017","139","8","3161","3170","10.1021/jacs.6b12861","","","0.71073","MoKα","","0.0938","0.0533","","","0.0997","0.1109","","","","","","1.066","","","","has coordinates","193488","2020-10-21","18:00:00",""
"4125598","12.9953","0.0009","14.3232","0.001","20.006","0.0013","88.513","0.002","73.783","0.002","87.956","0.003","3572.9","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H69.64 B F24 Fe N P3 Si -","- C70 H69.65 B F24 Fe N P3 Si -","- C140 H139.3 B2 F48 Fe2 N2 P6 Si2 -","2","1","","Rittle, Jonathan; Peters, Jonas C.","N-H Bond Dissociation Enthalpies and Facile H Atom Transfers for Early Intermediates of Fe-N2 and Fe-CN Reductions.","Journal of the American Chemical Society","2017","139","8","3161","3170","10.1021/jacs.6b12861","","","0.71073","MoKα","","0.0646","0.0485","","","0.1068","0.1148","","","","","","1.02","","","","has coordinates,has disorder","193488","2020-10-21","18:00:00",""
"4125599","13.5","0.0008","20.6046","0.0012","43.205","0.003","90","","96.475","0.001","90","","11941.3","1.3","240","","240","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C130 H165 O20 -","- C130 H165 O20 -","- C520 H660 O80 -","4","1","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Bonakala, Satyanarayana; Chong, Samantha Y.; Stephenson, Andrew; Chen, Linjiang; Huang, Feihe; Cooper, Andrew I.","Styrene Purification by Guest-Induced Restructuring of Pillar[6]arene.","Journal of the American Chemical Society","2017","139","8","2908","2911","10.1021/jacs.6b13300","","x-ray","0.71073","MoKα","","0.1234","0.0865","","","0.2383","0.284","","","","","","1.045","","","","has coordinates,has disorder","193489","2020-10-21","18:00:00",""
"4125600","17.6487","0.0016","20.6724","0.0019","18.2635","0.0014","90","","90","","90","","6663.3","1","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C76 H70 F12 N6 P2 Ru -","- C66 H46 F12 N6 P2 Ru -","- C264 H184 F48 N24 P8 Ru4 -","4","1","","Van Raden, Jeff M.; Louie, Shayan; Zakharov, Lev N.; Jasti, Ramesh","2,2'-Bipyridyl-Embedded Cycloparaphenylenes as a General Strategy To Investigate Nanohoop-Based Coordination Complexes.","Journal of the American Chemical Society","2017","139","8","2936","2939","10.1021/jacs.7b00359","","","1.54178","CuKα","","0.1629","0.1194","","","0.3092","0.3449","","","","","","1.031","","","","has coordinates","193490","2020-10-21","18:00:00",""
"4125601","6.48052","0.0001","9.6387","0.00012","27.4697","0.0003","90","","90","","90","","1715.86","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 B N O2 -","- C17 H24 B N O2 -","- C68 H96 B4 N4 O8 -","4","1","","Yang, Ji-Min; Li, Zi-Qi; Li, Mao-Lin; He, Qiao; Zhu, Shou-Fei; Zhou, Qi-Lin","Catalytic B-H Bond Insertion Reactions Using Alkynes as Carbene Precursors.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b13168","","x-ray","1.54184","CuKα","","0.0373","0.0368","","","0.1059","0.1065","","","","","","1.029","","","","has coordinates","192795","2020-10-21","18:00:00",""
"4125602","7.1989","0.0004","13.6873","0.0007","20.8737","0.0011","90","","99.784","0.001","90","","2026.84","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 B2 N O4 -","- C18 H31 B2 N O4 -","- C72 H124 B8 N4 O16 -","4","1","","Krautwald, Simon; Bezdek, Máté J; Chirik, Paul J.","Cobalt-Catalyzed 1,1-Diboration of Terminal Alkynes: Scope, Mechanism, and Synthetic Applications.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00445","","","1.54178","CuKα","","0.0487","0.0468","","","0.1221","0.1239","","","","","","1.054","","","","has coordinates","192796","2020-10-21","18:00:00",""
"4125603","21.4113","0.0011","31.6045","0.0017","15.1469","0.0007","90","","129.604","0.002","90","","7897.2","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H48 B3 N O8 -","- C31 H48 B3 N O8 -","- C248 H384 B24 N8 O64 -","8","1","","Krautwald, Simon; Bezdek, Máté J; Chirik, Paul J.","Cobalt-Catalyzed 1,1-Diboration of Terminal Alkynes: Scope, Mechanism, and Synthetic Applications.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00445","","","0.71073","MoKα","","0.0835","0.0589","","","0.1541","0.1712","","","","","","1.042","","","","has coordinates,has disorder","192796","2020-10-21","18:00:00",""
"4125604","7.71","0.0005","12.4937","0.0008","12.6031","0.0008","78.548","0.002","76.619","0.002","78.343","0.002","1141.92","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 B2 N2 O2 -","- C24 H34 B2 N2 O2 -","- C48 H68 B4 N4 O4 -","2","1","","Krautwald, Simon; Bezdek, Máté J; Chirik, Paul J.","Cobalt-Catalyzed 1,1-Diboration of Terminal Alkynes: Scope, Mechanism, and Synthetic Applications.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00445","","","0.71073","MoKα","","0.0677","0.0511","","","0.1297","0.1397","","","","","","1.029","","","","has coordinates","192796","2020-10-21","18:00:00",""
"4125605","10.6307","0.0004","19.8075","0.0007","21.18","0.0007","90","","93.431","0.001","90","","4451.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H66 B2 Co N3 O4 -","- C41 H66 B2 Co N3 O4 -","- C164 H264 B8 Co4 N12 O16 -","4","1","","Krautwald, Simon; Bezdek, Máté J; Chirik, Paul J.","Cobalt-Catalyzed 1,1-Diboration of Terminal Alkynes: Scope, Mechanism, and Synthetic Applications.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00445","","","1.54178","CuKα","","0.0401","0.0381","","","0.1041","0.1059","","","","","","1.053","","","","has coordinates","192796","2020-10-21","18:00:00",""
"4125606","27.9766","0.0016","14.3756","0.0008","15.383","0.0009","90","","106.165","0.001","90","","5942.1","0.6","100","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 F5 Ni O3 P -","- C34 H29.3 F5 Ni O3 P -","- C272 H234.4 F40 Ni8 O24 P8 -","8","1","","Xin, Bruce S.; Sato, Naomasa; Tanna, Akio; Oishi, Yasuo; Konishi, Yohei; Shimizu, Fumihiko","Nickel Catalyzed Copolymerization of Ethylene and Alkyl Acrylates.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b13051","","","0.71073","MoKα","","0.0607","0.0418","","","0.1053","0.1169","","","","","","1.014","","","","has coordinates","192797","2020-10-21","18:00:00",""
"4125607","13.2492","0.0015","14.8158","0.0017","14.8397","0.0016","116.378","0.002","112.863","0.002","95.311","0.002","2277.2","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H49 F5 Ni O5 P -","- C51 H49 F5 Ni O5 P -","- C102 H98 F10 Ni2 O10 P2 -","2","1","","Xin, Bruce S.; Sato, Naomasa; Tanna, Akio; Oishi, Yasuo; Konishi, Yohei; Shimizu, Fumihiko","Nickel Catalyzed Copolymerization of Ethylene and Alkyl Acrylates.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b13051","","","0.71073","MoKα","","0.0931","0.053","","","0.1319","0.1551","","","","","","1.02","","","","has coordinates,has disorder","192797","2020-10-21","18:00:00",""
"4125608","9.1272","0.0003","21.5044","0.0007","23.2601","0.0008","88.205","0.002","88.653","0.002","88.317","0.002","4560","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H114 F3 K N6 O35 S -","- C81 H114 F3 K N6 O35 S -","- C162 H228 F6 K2 N12 O70 S2 -","2","1","","Schneider, Susanne; Licsandru, Erol-Dan; Kocsis, Istvan; Gilles, Arnaud; Dumitru, Florina; Moulin, Emilie; Tan, Junjun; Lehn, Jean-Marie; Giuseppone, Nicolas; Barboiu, Mihail","Columnar Self-Assemblies of Triarylamines as Scaffolds for Artificial Biomimetic Channels for Ion and for Water Transport.","Journal of the American Chemical Society","2017","139","10","3721","3727","10.1021/jacs.6b12094","","","1.54178","CuKα","","0.0763","0.0639","","","0.1757","0.1865","","","","","","1.033","","","","has coordinates,has disorder","194834","2020-10-21","18:00:00",""
"4125609","17.719","0.0005","12.4759","0.0006","9.2314","0.0004","90","","90","","90","","2040.7","0.14","173","2","173","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","0.5","","Schneider, Susanne; Licsandru, Erol-Dan; Kocsis, Istvan; Gilles, Arnaud; Dumitru, Florina; Moulin, Emilie; Tan, Junjun; Lehn, Jean-Marie; Giuseppone, Nicolas; Barboiu, Mihail","Columnar Self-Assemblies of Triarylamines as Scaffolds for Artificial Biomimetic Channels for Ion and for Water Transport.","Journal of the American Chemical Society","2017","139","10","3721","3727","10.1021/jacs.6b12094","","","0.71073","MoKα","","0.1394","0.0822","","","0.1796","0.215","","","","","","1.264","","","","has coordinates","194834","2020-10-21","18:00:00",""
"4125610","24.6495","0.0014","8.8435","0.0005","32.1542","0.0013","90","","130.301","0.003","90","","5345.6","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H76 N2 O27 -","- C38 H76 N2 O27 -","- C152 H304 N8 O108 -","4","1","","Schneider, Susanne; Licsandru, Erol-Dan; Kocsis, Istvan; Gilles, Arnaud; Dumitru, Florina; Moulin, Emilie; Tan, Junjun; Lehn, Jean-Marie; Giuseppone, Nicolas; Barboiu, Mihail","Columnar Self-Assemblies of Triarylamines as Scaffolds for Artificial Biomimetic Channels for Ion and for Water Transport.","Journal of the American Chemical Society","2017","139","10","3721","3727","10.1021/jacs.6b12094","","","0.71073","MoKα","","0.1277","0.0739","","","0.2067","0.2299","","","","","","1.068","","","","has coordinates","194834","2020-10-21","18:00:00",""
"4125611","10.1353","0.0009","11.9253","0.001","13.8345","0.0012","88.869","0.001","80.361","0.001","79.359","0.001","1620.1","0.2","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H35 Br O6 -","- C40 H35 Br O6 -","- C80 H70 Br2 O12 -","2","2","","Nicolaou, K. C.; Liu, Guodu; Beabout, Kathryn; McCurry, Megan D.; Shamoo, Yousif","Asymmetric Alkylation of Anthrones, Enantioselective Total Synthesis of (−)- and (+)-Viridicatumtoxins B and Analogues Thereof: Absolute Configuration and Potent Antibacterial Agents","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b12654","","","0.71073","MoKα","","0.0258","0.0245","","","0.0658","0.0672","","","","","","1.019","","","","has coordinates,has disorder","192873","2020-10-21","18:00:00",""
"4125612","10.1374","0.0009","11.9207","0.0011","13.8316","0.0012","88.822","0.001","80.47","0.001","79.419","0.001","1620.3","0.3","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H35 Br O6 -","- C40 H35 Br O6 -","- C80 H70 Br2 O12 -","2","2","","Nicolaou, K. C.; Liu, Guodu; Beabout, Kathryn; McCurry, Megan D.; Shamoo, Yousif","Asymmetric Alkylation of Anthrones, Enantioselective Total Synthesis of (−)- and (+)-Viridicatumtoxins B and Analogues Thereof: Absolute Configuration and Potent Antibacterial Agents","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b12654","","","0.71073","MoKα","","0.0312","0.0287","","","0.0773","0.0803","","","","","","1.018","","","","has coordinates,has disorder","192874","2020-10-21","18:00:00",""
"4125613","12.4308","0.0004","12.3216","0.0004","13.8664","0.0004","90","","102.979","0.001","90","","2069.62","0.11","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C49 H54 O6 Si -","- C49 H54 O6 Si -","- C98 H108 O12 Si2 -","2","1","","Nicolaou, K. C.; Liu, Guodu; Beabout, Kathryn; McCurry, Megan D.; Shamoo, Yousif","Asymmetric Alkylation of Anthrones, Enantioselective Total Synthesis of (−)- and (+)-Viridicatumtoxins B and Analogues Thereof: Absolute Configuration and Potent Antibacterial Agents","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b12654","","","1.54178","CuKα","","0.0252","0.0248","","","0.0674","0.0681","","","","","","1.039","","","","has coordinates","192875","2020-10-21","18:00:00",""
"4125614","7.8041","0.0003","5.9064","0.0002","19.9549","0.0008","90","","94.7261","0.0017","90","","916.68","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 Br O3 -","- C22 H21 Br O3 -","- C44 H42 Br2 O6 -","2","1","","Bartlett, Samuel L.; Keiter, Kimberly M.; Johnson, Jeffrey S.","Synthesis of Complex Tertiary Glycolates by Enantioconvergent Arylation of Stereochemically Labile α-Keto Esters.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00943","","","1.54178","CuKα","","0.0233","0.0223","","","0.0537","0.0541","","","","","","1.06","","","","has coordinates","192876","2020-10-21","18:00:00",""
"4125615","14.8348","0.0006","21.7778","0.001","30.4291","0.0013","90","","90","","90","","9830.7","0.7","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H24 Cl2 F24 Rh2 -","- C46 H24 Cl2 F24 Rh2 -","- C368 H192 Cl16 F192 Rh16 -","8","2","","Bartlett, Samuel L.; Keiter, Kimberly M.; Johnson, Jeffrey S.","Synthesis of Complex Tertiary Glycolates by Enantioconvergent Arylation of Stereochemically Labile α-Keto Esters.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00943","","","1.54178","CuKα","","0.0527","0.0486","","","0.1183","0.1215","","","","","","1.031","","","","has coordinates,has disorder","192877","2020-10-21","18:00:00",""
"4125616","6.3632","0.0002","10.611","0.0004","13.3887","0.0004","68.504","0.002","83.023","0.002","76.485","0.001","817.19","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","","Reiher, Christopher A.; Shenvi, Ryan A.","Stereocontrolled Synthesis of Kalihinol C.","Journal of the American Chemical Society","2017","139","10","3647","3650","10.1021/jacs.7b01124","","","0.71073","MoKα","","0.0394","0.0361","","","0.1005","0.1034","","","","","","1.056","","","","has coordinates","194831","2020-10-21","18:00:00",""
"4125617","8.0891","0.0005","8.6468","0.0008","9.3489","0.0006","81.292","0.007","72.583","0.006","76.509","0.007","604.36","0.08","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Co N10 Se2 -","- C24 H16 Co N10 Se2 -","- C24 H16 Co N10 Se2 -","1","0.5","","Aragones, Albert C.; Aravena, Daniel; Valverde-Muñoz, Francisco J; Real, Jose Antonio; Sanz, Fausto; Díez-Pérez, Ismael; Ruiz, Eliseo","Metal-Controlled Magnetoresistance at Room Temperature in Single-Molecule Devices.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b11166","","","0.71069","MoKα","","0.0578","0.0401","","","0.0879","0.1014","","","","","","0.871","","","","has coordinates","192879","2020-10-21","18:00:00",""
"4125618","19.614","0.003","10.4389","0.0009","42.807","0.007","90","","99.657","0.015","90","","8640","2","150","0.1","150","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C39 H53 Co F6 N3 O6.5 P2 S2 -","- C39 H53 Co F6 N3 O6.5 P2 S2 -","- C312 H424 Co8 F48 N24 O52 P16 S16 -","8","1","","Roy, Souvik; Sharma, Bhaskar; Pécaut, Jacques; Simon, Philippe; Fontecave, Marc; Tran, Phong D.; Derat, Etienne; Artero, Vincent","Molecular Cobalt Complexes with Pendant Amines for Selective Electrocatalytic Reduction of Carbon Dioxide to Formic Acid.","Journal of the American Chemical Society","2017","139","10","3685","3696","10.1021/jacs.6b11474","","x-ray","0.71073","MoKα","","0.1873","0.0745","","","0.1006","0.114","","","","","","0.856","","","","has coordinates,has disorder","194832","2020-10-21","18:00:00",""
"4125619","35.56","0.003","11.5161","0.0008","21.158","0.003","90","","102.477","0.009","90","","8459.8","1.5","298.6","","298.6","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C39 H40 Co F6 N3 O6 P2 S2 -","- C39 H40 Co F6 N3 O6 P2 S2 -","- C312 H320 Co8 F48 N24 O48 P16 S16 -","8","1","","Roy, Souvik; Sharma, Bhaskar; Pécaut, Jacques; Simon, Philippe; Fontecave, Marc; Tran, Phong D.; Derat, Etienne; Artero, Vincent","Molecular Cobalt Complexes with Pendant Amines for Selective Electrocatalytic Reduction of Carbon Dioxide to Formic Acid.","Journal of the American Chemical Society","2017","139","10","3685","3696","10.1021/jacs.6b11474","","","0.71073","MoKα","","0.1002","0.0787","","","0.2202","0.2438","","","","","","1.045","","","","has coordinates,has disorder","194832","2020-10-21","18:00:00",""
"4125620","9.1042","0.0003","10.6408","0.0003","20.646","0.0006","100.465","0.002","94.427","0.002","94.263","0.002","1952.98","0.1","150","2","150.15","","","","","","","","","9","P -1","-P 1","2","","","","- C35.38 H33.77 Cl0.77 Co F6 N2 O6 P2 S2 -","- C35.386 H33.772 Cl0.772 Co F6 N2 O6 P2 S2 -","- C70.772 H67.544 Cl1.544 Co2 F12 N4 O12 P4 S4 -","2","1","","Roy, Souvik; Sharma, Bhaskar; Pécaut, Jacques; Simon, Philippe; Fontecave, Marc; Tran, Phong D.; Derat, Etienne; Artero, Vincent","Molecular Cobalt Complexes with Pendant Amines for Selective Electrocatalytic Reduction of Carbon Dioxide to Formic Acid.","Journal of the American Chemical Society","2017","139","10","3685","3696","10.1021/jacs.6b11474","","","0.71073","MoKα","","0.072","0.0459","","","0.1096","0.1162","","","","","","0.949","","","","has coordinates,has disorder","194832","2020-10-21","18:00:00",""
"4125621","11.0634","0.0005","11.8443","0.0005","18.1779","0.0008","100.479","0.004","103.371","0.004","102.291","0.004","2196.38","0.18","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C39 H51 Co F6 N4 O6 P2 S2 -","- C39 H51 Co F6 N4 O6 P2 S2 -","- C78 H102 Co2 F12 N8 O12 P4 S4 -","2","1","","Roy, Souvik; Sharma, Bhaskar; Pécaut, Jacques; Simon, Philippe; Fontecave, Marc; Tran, Phong D.; Derat, Etienne; Artero, Vincent","Molecular Cobalt Complexes with Pendant Amines for Selective Electrocatalytic Reduction of Carbon Dioxide to Formic Acid.","Journal of the American Chemical Society","2017","139","10","3685","3696","10.1021/jacs.6b11474","","x-ray","0.71073","MoKα","","0.0865","0.0522","","","0.0951","0.1072","","","","","","1.036","","","","has coordinates,has disorder","194832","2020-10-21","18:00:00",""
"4125622","13.92506","0.00015","7.62053","0.00008","22.4351","0.0002","90","","90.4854","0.0009","90","","2380.65","0.04","120","","120","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C16 H16 O -","- C16 H16 O -","- C128 H128 O8 -","8","2","","Corrie, Tom J. A.; Ball, Liam T.; Russell, Christopher A.; Lloyd-Jones, Guy C","Au-Catalyzed Biaryl Coupling To Generate 5- to 9-Membered Rings: Turnover-Limiting Reductive Elimination versus π-Complexation.","Journal of the American Chemical Society","2017","139","1","245","254","10.1021/jacs.6b10018","","x-ray","1.54178","CuKα","","0.036","0.0356","","","0.093","0.0932","","","","","","1.042","","","","has coordinates","193025","2020-10-21","18:00:00",""
"4125623","7.69025","0.00007","13.54657","0.00017","20.9417","0.0002","90","","90","","90","","2181.63","0.04","120","","120","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H14 O -","- C15 H14 O -","- C120 H112 O8 -","8","1","","Corrie, Tom J. A.; Ball, Liam T.; Russell, Christopher A.; Lloyd-Jones, Guy C","Au-Catalyzed Biaryl Coupling To Generate 5- to 9-Membered Rings: Turnover-Limiting Reductive Elimination versus π-Complexation.","Journal of the American Chemical Society","2017","139","1","245","254","10.1021/jacs.6b10018","","x-ray","1.54184","CuKα","","0.0515","0.0499","","","0.137","0.139","","","","","","1.054","","","","has coordinates","193026","2020-10-21","18:00:00",""
"4125624","26.6275","0.0007","26.6275","0.0007","14.9233","0.0005","90","","90","","120","","9163.4","0.5","150","2","150","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C20 H24 Fe N4 O2 -","- C20 H24 Fe N4 O2 -","- C360 H432 Fe18 N72 O36 -","18","1","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.0501","0.0347","","","0.0718","0.0787","","","","","","0.938","","","","has coordinates","288469","2023-12-21","09:29:37",""
"4125625","8.3711","0.0004","17.0618","0.0009","18.6672","0.0009","90","","90","","90","","2666.2","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H32 Fe N4 O2 -","- C24 H32 Fe N4 O2 -","- C96 H128 Fe4 N16 O8 -","4","0.5","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.0477","0.0369","","","0.0909","0.0972","","","","","","1.044","","","","has coordinates","288469","2023-12-21","09:29:37",""
"4125626","12.478","0.005","10.528","0.005","21.296","0.005","90","0.005","90","0.005","90","0.005","2797.6","1.9","200","2","200","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C28 H40 Fe N4 O2 -","- C28 H40 Fe N4 O2 -","- C112 H160 Fe4 N16 O8 -","4","0.5","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71069","MoKα","","0.0477","0.0371","","","0.1027","0.1189","","","","","","1.19","","","","has coordinates","193027","2020-10-21","18:00:00",""
"4125627","15.3013","0.001","10.7723","0.0006","14.3639","0.001","90","","90","","90","","2367.6","0.3","200","2","200","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C20 H24 B F4 Fe N4 O2 -","- C20 H24 B F4 Fe N4 O2 -","- C80 H96 B4 F16 Fe4 N16 O8 -","4","1","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.1328","0.0696","","","0.0814","0.0934","","","","","","1.072","","","","has coordinates,has disorder","288469","2023-12-21","09:29:37",""
"4125628","11.2452","0.0005","16.1669","0.0008","17.9585","0.0008","90","","105.802","0.002","90","","3141.5","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 B F4 Fe N4 O2 -","- C28 H40 B F4 Fe N4 O2 -","- C112 H160 B4 F16 Fe4 N16 O8 -","4","1","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.0647","0.0472","","","0.1028","0.1154","","","","","","1.018","","","","has coordinates","193027","2020-10-21","18:00:00",""
"4125629","18.1138","0.0005","12.4841","0.0003","21.1588","0.0006","90","","90","","90","","4784.7","0.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H24 B F4 Fe N5 O3 -","- C20 H24 B F4 Fe N5 O3 -","- C160 H192 B8 F32 Fe8 N40 O24 -","8","1","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.0345","0.0265","","","0.0807","0.0991","","","","","","1.148","","","","has coordinates","288469","2023-12-21","09:29:37",""
"4125630","10.9335","0.0005","12.7302","0.0006","19.1398","0.0008","90","","90","","90","","2664","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 B F4 Fe N5 O3 -","- C24 H32 B F4 Fe N5 O3 -","- C96 H128 B4 F16 Fe4 N20 O12 -","4","1","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.0254","0.022","","","0.0616","0.0751","","","","","","1.192","","","","has coordinates","193027","2020-10-21","18:00:00",""
"4125631","21.64","","21.86","","22.426","","65.37","","61.48","","84.84","","8393.86","","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C300 H197.26 Ag38 F52 P8 S26 -","- C300 H197.246 Ag38 F52 P8 S26 -","- C300 H197.246 Ag38 F52 P8 S26 -","1","0.5","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng","Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes.","Journal of the American Chemical Society","2017","139","1","31","34","10.1021/jacs.6b10053","","","0.71073","MoKα","","0.1","0.0605","","","0.1843","0.2211","","","","","","1.008","","","","has coordinates,has disorder","193028","2020-10-21","18:00:00",""
"4125632","11.4059","0.0002","31.7761","0.0005","15.3471","0.0003","90","","111.604","0.002","90","","5171.58","0.17","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H48 B Cu F20 N4 -","- C54 H48 B Cu F20 N4 -","- C216 H192 B4 Cu4 F80 N16 -","4","1","","Adam, Suzanne M.; Garcia-Bosch, Isaac; Schaefer, Andrew W.; Sharma, Savita K.; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","Critical Aspects of Heme-Peroxo-Cu Complex Structure and Nature of Proton Source Dictate Metal-Operoxo Breakage versus Reductive O-O Cleavage Chemistry.","Journal of the American Chemical Society","2017","139","1","472","481","10.1021/jacs.6b11322","","","1.54178","CuKα","","0.0436","0.0354","","","0.0846","0.0892","","","","","","1.025","","","","has coordinates,has disorder","193029","2020-10-21","18:00:00",""
"4125633","4.2433","0.0008","20.178","0.004","20.83","0.004","90","","94.852","0.002","90","","1777.1","0.6","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H20 F8 I4 N2 -","- C40 H20 F8 I4 N2 -","- C80 H40 F16 I8 N4 -","2","0.5","","Bai, Linyi; Bose, Purnandhu; Gao, Qiang; Li, Yongxin; Ganguly, Rakesh; Zhao, Yanli","Halogen-Assisted Piezochromic Supramolecular Assemblies for Versatile Haptic Memory.","Journal of the American Chemical Society","2017","139","1","436","441","10.1021/jacs.6b11057","","","0.71073","MoKα","","0.0546","0.0379","","","0.0678","0.0733","","","","","","1.026","","","","has coordinates","193030","2020-10-21","18:00:00",""
"4125634","8.111","0.004","10.142","0.005","10.582","0.005","116.789","0.005","105.997","0.005","92.452","0.006","732.7","0.6","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 F4 I2 N2 -","- C34 H20 F4 I2 N2 -","- C34 H20 F4 I2 N2 -","1","0.5","","Bai, Linyi; Bose, Purnandhu; Gao, Qiang; Li, Yongxin; Ganguly, Rakesh; Zhao, Yanli","Halogen-Assisted Piezochromic Supramolecular Assemblies for Versatile Haptic Memory.","Journal of the American Chemical Society","2017","139","1","436","441","10.1021/jacs.6b11057","","","0.71073","MoKα","","0.0464","0.0373","","","0.0861","0.0911","","","","","","1.043","","","","has coordinates,has disorder","193031","2020-10-21","18:00:00",""
"4125635","12.355","0.0005","15.307","0.0008","14.802","0.0007","90","","123.147","0.003","90","","2343.8","0.2","130","2","130","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","gloria01","'gloria01'","","- C16 H31 F6 Fe N3 O P S2 -","- C16 H31 F6 Fe N3 O P S2 -","- C64 H124 F24 Fe4 N12 O4 P4 S8 -","4","1","","Villar-Acevedo, Gloria; Lugo-Mas, Priscilla; Blakely, Maike N.; Rees, Julian A.; Ganas, Abbie S.; Hanada, Erin M.; Kaminsky, Werner; Kovacs, Julie A.","Metal-Assisted Oxo Atom Addition to an Fe(III) Thiolate.","Journal of the American Chemical Society","2017","139","1","119","129","10.1021/jacs.6b03512","","","0.71073","MoKα","","0.1447","0.0711","","","0.174","0.2019","","","","","","0.997","","","","has coordinates","193032","2020-10-21","18:00:00",""
"4125636","39.8773","0.0003","39.8773","0.0003","27.4426","0.0004","90","","90","","90","","43639.2","0.8","100","2","100","2","","","","","","","","8","P 4/n","-P 4a","85","","","","- C464 H168 F192 Fe8 N136 Ni6 O64 S32 -","- C436 H168 F108 Fe8 N122 Ni6 O8 S4 -","- C872 H336 F216 Fe16 N244 Ni12 O16 S8 -","2","","","Brenner, Wolfgang; Ronson, Tanya K.; Nitschke, Jonathan R.","Separation and Selective Formation of Fullerene Adducts within an M(II)8L6 Cage.","Journal of the American Chemical Society","2017","139","1","75","78","10.1021/jacs.6b11523","","","0.6889","synchrotron","","0.1451","0.1276","","","0.3709","0.3888","","","","","","1.152","","","","has coordinates,has disorder","193033","2020-10-21","18:00:00",""
"4125637","6.369","0.0003","14.0432","0.0006","15.4534","0.0006","68.518","0.001","89.229","0.001","77.501","0.001","1252.37","0.09","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C30 H38 O5 -","- C30 H38 O5 -","- C60 H76 O10 -","2","2","","Ding, Wei; Lu, Liang-Qiu; Zhou, Quan-Quan; Wei, Yi; Chen, Jia-Rong; Xiao, Wen-Jing","Bifunctional Photocatalysts for Enantioselective Aerobic Oxidation of β-Ketoesters.","Journal of the American Chemical Society","2017","139","1","63","66","10.1021/jacs.6b11418","","","1.54178","CuKα","","0.033","0.0327","","","0.0906","0.091","","","","","","1.005","","","","has coordinates","193034","2020-10-21","18:00:00",""
"4125638","13.965","0.003","28.537","0.006","14.7","0.003","90","","109.25","0.03","90","","5531","2","173","2","173.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C119 H145 F3 Ir2 N2 O7 P2 S -","- C119 H145 F3 Ir2 N2 O7 P2 S -","- C238 H290 F6 Ir4 N4 O14 P4 S2 -","2","1","","Li, Mao-Lin; Yang, Shuang; Su, Xun-Cheng; Wu, Hui-Ling; Yang, Liang-Liang; Zhu, Shou-Fei; Zhou, Qi-Lin","Mechanism Studies of Ir-Catalyzed Asymmetric Hydrogenation of Unsaturated Carboxylic Acids.","Journal of the American Chemical Society","2017","139","1","541","547","10.1021/jacs.6b11655","","","0.71073","MoKα","","0.0717","0.0537","","","0.1074","0.1201","","","","","","0.998","","","","has coordinates,has disorder","193035","2020-10-21","18:00:00",""
"4125639","17.6216","0.0013","18.3846","0.0013","32.285","0.002","90","","90","","90","","10459.2","1.2","113","2","113","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C109 H146 F3 Ir2 N2 O9 P2 S -","- C109 H146 F3 Ir2 N2 O9 P2 S -","- C436 H584 F12 Ir8 N8 O36 P8 S4 -","4","1","","Li, Mao-Lin; Yang, Shuang; Su, Xun-Cheng; Wu, Hui-Ling; Yang, Liang-Liang; Zhu, Shou-Fei; Zhou, Qi-Lin","Mechanism Studies of Ir-Catalyzed Asymmetric Hydrogenation of Unsaturated Carboxylic Acids.","Journal of the American Chemical Society","2017","139","1","541","547","10.1021/jacs.6b11655","","","0.71073","MoKα","","0.0209","0.0181","","","0.0373","0.0382","","","","","","1.046","","","","has coordinates,has disorder","193036","2020-10-21","18:00:00",""
"4125640","10.818","0.002","14.5","0.003","12.569","0.003","90","","102.765","0.004","90","","1922.9","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H25 B O3 S -","- C20 H25 B O3 S -","- C80 H100 B4 O12 S4 -","4","2","","Lovinger, Gabriel J.; Aparece, Mark D.; Morken, James P.","Pd-Catalyzed Conjunctive Cross-Coupling between Grignard-Derived Boron ""Ate"" Complexes and C(sp(2)) Halides or Triflates: NaOTf as a Grignard Activator and Halide Scavenger.","Journal of the American Chemical Society","2017","139","8","3153","3160","10.1021/jacs.6b12663","","","0.71073","MoKα","","0.0565","0.05","","","0.1114","0.115","","","","","","1.059","","","","has coordinates,has disorder","193037","2020-10-21","18:00:00",""
"4125641","7.5778","0.0001","25.9067","0.0005","36.526","0.003","90","","90","","90","","7170.6","0.6","85","2","85","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 B F4 N O -","- C20 H18 B F4 N O -","- C320 H288 B16 F64 N16 O16 -","16","4","","Sevov, Christo S.; Hickey, David P.; Cook, Monique E.; Robinson, Sophia G.; Barnett, Shoshanna; Minteer, Shelley D.; Sigman, Matthew S.; Sanford, Melanie S.","Physical Organic Approach to Persistent, Cyclable, Low-Potential Electrolytes for Flow Battery Applications.","Journal of the American Chemical Society","2017","139","8","2924","2927","10.1021/jacs.7b00147","","","1.54178","CuKα","","0.0928","0.0699","","","0.1756","0.1928","","","","","","0.962","","","","has coordinates","193038","2020-10-21","18:00:00",""
"4125642","29.6889","0.0013","14.9613","0.0007","14.8859","0.0007","90","","115.211","0.002","90","","5982.3","0.5","100","2","99.94","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H52 O P2 S12 V -","- C62 H52 O P2 S12 V -","- C248 H208 O4 P8 S48 V4 -","4","0.5","","Graham, Michael J.; Yu, Chung-Jui; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Freedman, Danna E.","Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence.","Journal of the American Chemical Society","2017","139","8","3196","3201","10.1021/jacs.6b13030","","","0.71073","MoKα","","0.1368","0.1349","","","0.3212","0.3219","","","","","","1.356","","","","has coordinates","193039","2020-10-21","18:00:00",""
"4125643","15.009","0.006","13.965","0.007","19.47","0.009","90","","90","","90","","4081","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H10 O2 -","- C13 H10 O2 -","- C208 H160 O32 -","16","2","","Sagadevan, Arunachalam; Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible Light Copper Photoredox-Catalyzed Aerobic Oxidative Coupling of Phenols and Terminal Alkynes: Regioselective Synthesis of Functionalized Ketones via C≡C Triple Bond Cleavage.","Journal of the American Chemical Society","2017","139","8","2896","2899","10.1021/jacs.6b13113","","","0.71073","MoKα","","0.2268","0.1463","","","0.3305","0.4035","","","","","","1.243","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4125644","11.08","0.007","27.686","0.016","9.526","0.006","90","","96.376","0.014","90","","2904","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 N O2 -","- C15 H9 O2 -","- C120 H72 O16 -","8","1","","Sagadevan, Arunachalam; Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible Light Copper Photoredox-Catalyzed Aerobic Oxidative Coupling of Phenols and Terminal Alkynes: Regioselective Synthesis of Functionalized Ketones via C≡C Triple Bond Cleavage.","Journal of the American Chemical Society","2017","139","8","2896","2899","10.1021/jacs.6b13113","","","0.71073","MoKα","","0.1161","0.056","","","0.1214","0.1371","","","","","","0.886","","","","has coordinates","193041","2020-10-21","18:00:00",""
"4125645","11.7566","0.0013","11.9481","0.0013","18.921","0.002","78.101","0.007","84.064","0.007","64.72","0.006","2351.3","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C120 H112 O16 -","4","2","","Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh","An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles.","Journal of the American Chemical Society","2017","139","8","3106","3114","10.1021/jacs.6b12658","","","1.54178","CuKα","","0.0676","0.0576","","","0.15","0.1576","","","","","","1.055","","","","has coordinates,has disorder","193042","2020-10-21","18:00:00",""
"4125646","6.7057","0.0007","10.4349","0.001","10.471","0.0011","115.281","0.007","101.865","0.008","93.508","0.008","639.11","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 Cl2 O4 -","- C30 H28 Cl2 O4 -","- C30 H28 Cl2 O4 -","1","0.5","","Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh","An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles.","Journal of the American Chemical Society","2017","139","8","3106","3114","10.1021/jacs.6b12658","","","1.54178","CuKα","","0.0556","0.0428","","","0.1104","0.1178","","","","","","1.049","","","","has coordinates","193043","2020-10-21","18:00:00",""
"4125647","25.0005","0.001","25.0005","0.001","48.793","0.002","90","","90","","120","","26411","1.8","101","2","101","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C148 H160 Cl12 -","- C148 H160 Cl12 -","- C888 H960 Cl72 -","6","0.333333","","Moneypenny, 2nd, Timothy P; Walter, Nathan P.; Cai, Zhikun; Miao, Yu-Run; Gray, Danielle L.; Hinman, Jordan J.; Lee, Semin; Zhang, Yang; Moore, Jeffrey S.","Impact of Shape Persistence on the Porosity of Molecular Cages.","Journal of the American Chemical Society","2017","139","8","3259","3264","10.1021/jacs.7b00189","","","1.54178","CuKα","","0.0744","0.0698","","","0.1925","0.1956","","","","","","1.131","","","","has coordinates,has disorder","193044","2020-10-21","18:00:00",""
"4125648","43.8917","0.0019","20.3623","0.0008","25.1357","0.001","90","","121.486","0.001","90","","19157.2","1.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C144 H132 Br12 -","- C144 H132 Br12 -","- C576 H528 Br48 -","4","0.5","","Moneypenny, 2nd, Timothy P; Walter, Nathan P.; Cai, Zhikun; Miao, Yu-Run; Gray, Danielle L.; Hinman, Jordan J.; Lee, Semin; Zhang, Yang; Moore, Jeffrey S.","Impact of Shape Persistence on the Porosity of Molecular Cages.","Journal of the American Chemical Society","2017","139","8","3259","3264","10.1021/jacs.7b00189","","","0.71073","MoKα","","0.0905","0.0651","","","0.1922","0.215","","","","","","1.094","","","","has coordinates,has disorder","193045","2020-10-21","18:00:00",""
"4125649","7.8837","0.0001","12.6022","0.0001","14.4974","0.0001","90","","95.238","0.001","90","","1434.33","0.02","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 F3 O -","- C18 H15 F3 O -","- C72 H60 F12 O4 -","4","1","","McAtee, Christopher C.; Riehl, Paul S.; Schindler, Corinna S.","Polycyclic Aromatic Hydrocarbons via Iron(III)-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2017","139","8","2960","2963","10.1021/jacs.7b01114","","","1.54184","CuKα","","0.048","0.0478","","","0.1172","0.1175","","","","","","1.136","","","","has coordinates","193046","2020-10-21","18:00:00",""
"4125650","13.92565","0.00012","6.76441","0.00005","16.55751","0.00012","90","","90","","90","","1559.7","0.02","85","2","85","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","0.5","","McAtee, Christopher C.; Riehl, Paul S.; Schindler, Corinna S.","Polycyclic Aromatic Hydrocarbons via Iron(III)-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2017","139","8","2960","2963","10.1021/jacs.7b01114","","","1.54184","CuKα","","0.0404","0.0399","","","0.0975","0.0979","","","","","","1.122","","","","has coordinates","193047","2020-10-21","18:00:00",""
"4125651","10.62617","0.0001","19.11003","0.00016","13.49063","0.00011","90","","90.5435","0.0008","90","","2739.37","0.04","85","2","85","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 O2 -","- C38 H30 O2 -","- C152 H120 O8 -","4","1","","McAtee, Christopher C.; Riehl, Paul S.; Schindler, Corinna S.","Polycyclic Aromatic Hydrocarbons via Iron(III)-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2017","139","8","2960","2963","10.1021/jacs.7b01114","","","1.54184","CuKα","","0.0615","0.0597","","","0.1647","0.1673","","","","","","1.035","","","","has coordinates","193048","2020-10-21","18:00:00",""
"4125652","22.6944","0.0007","21.4972","0.0005","9.4414","0.0003","90","","99.847","0.003","90","","4538.3","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37.86 H46.78 I2 N6.93 O6 Se2 -","- C37.856 H46.784 I2.0001 N6.928 O6 Se2 -","- C151.424 H187.136 I8.0004 N27.712 O24 Se8 -","4","1","","Lim, Jason Y. C.; Marques, Igor; Thompson, Amber L.; Christensen, Kirsten E.; Félix, Vítor; Beer, Paul D.","Chalcogen Bonding Macrocycles and [2]Rotaxanes for Anion Recognition.","Journal of the American Chemical Society","2017","139","8","3122","3133","10.1021/jacs.6b12745","","","0.6889","Synchrotron","","0.0978","0.0683","","0.199","0.1767","0.199","","","","","","0.9868","","","","has coordinates,has disorder","193049","2020-10-21","18:00:00",""
"4125653","14.6181","0.0015","13.8956","0.0014","16.9244","0.0017","90","","107.448","0.002","90","","3279.6","0.6","123","","123","","","","","","","","Cathrin Ertl","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H26 Cl2 F6 Ir N4 O P -","- C35 H26 Cl2 F6 Ir N4 O P -","- C140 H104 Cl8 F24 Ir4 N16 O4 P4 -","4","1","","Ertl, Cathrin D.; Momblona, Cristina; Pertegás, Antonio; Junquera-Hernández, José M; La-Placa, Maria-Grazia; Prescimone, Alessandro; Ortí, Enrique; Housecroft, Catherine E.; Constable, Edwin C.; Bolink, Henk J.","Highly Stable Red-Light-Emitting Electrochemical Cells.","Journal of the American Chemical Society","2017","139","8","3237","3248","10.1021/jacs.6b13311","","","1.5418","CuKα","","0.0257","0.0256","","0.0556","0.0556","0.0556","","","","","","0.9994","","","","has coordinates","193050","2020-10-21","18:00:00",""
"4125654","12.2991","0.0019","13.34","0.002","40.35","0.007","90","","90","","90","","6620.2","1.8","123","","123","","","","","","","","Cathrin Ertl","7","F d d 2","F 2 -2d","43","","","","- C34 H24 F6 Ir N6 P S2 -","- C34 H24 F6 Ir N6 P S2 -","- C272 H192 F48 Ir8 N48 P8 S16 -","8","0.5","","Ertl, Cathrin D.; Momblona, Cristina; Pertegás, Antonio; Junquera-Hernández, José M; La-Placa, Maria-Grazia; Prescimone, Alessandro; Ortí, Enrique; Housecroft, Catherine E.; Constable, Edwin C.; Bolink, Henk J.","Highly Stable Red-Light-Emitting Electrochemical Cells.","Journal of the American Chemical Society","2017","139","8","3237","3248","10.1021/jacs.6b13311","","","1.54178","CuKα","","0.0171","0.017","","0.0405","0.0405","0.0405","","","","","","0.9244","","","","has coordinates","193051","2020-10-21","18:00:00",""
"4125655","11.3612","0.0003","15.0007","0.0004","15.3112","0.0004","99.798","0.002","93.975","0.002","94.8","0.002","2553.05","0.12","100","0.2","100","0.2","","","","","","","","2","P -1","-P 1","2","","","","- C31 H38 -","- C31 H38 -","- C124 H152 -","4","2","","Yang, Sanghee; Shin, Suyong; Choi, Inho; Lee, Jaeho; Choi, Tae-Lim","Direct Formation of Large-Area 2D Nanosheets from Fluorescent Semiconducting Homopolymer with Orthorhombic Crystalline Orientation.","Journal of the American Chemical Society","2017","139","8","3082","3088","10.1021/jacs.6b12378","","x-ray","1.54184","CuKα","","0.0491","0.0431","","","0.1104","0.1154","","","","","","1.053","","","","has coordinates,has disorder","193052","2020-10-21","18:00:00",""
"4125656","12.5845","0.0008","22.7005","0.0016","14.5054","0.001","90","","114.146","0.0017","90","","3781.3","0.4","240","","240","","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C75 H102 O15 -","- C66 H84 O12 -","- C132 H168 O24 -","2","0.5","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Bonakala, Satyanarayana; Chong, Samantha Y.; Stephenson, Andrew; Chen, Linjiang; Huang, Feihe; Cooper, Andrew I.","Styrene Purification by Guest-Induced Restructuring of Pillar[6]arene.","Journal of the American Chemical Society","2017","139","8","2908","2911","10.1021/jacs.6b13300","","","0.71073","MoKα","","0.0835","0.0498","","","0.1298","0.1436","","","","","","1.04","","","","has coordinates","193053","2020-10-21","18:00:00",""
"4125657","10.7372","0.0009","11.7516","0.0008","13.541","0.0011","95.142","0.006","94.75","0.007","102.165","0.006","1654.4","0.2","170","","170","","","","","","","","","3","P -1","-P 1","2","","","","- C37 H46 O6 -","- C37 H46 O6 -","- C74 H92 O12 -","2","1","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Bonakala, Satyanarayana; Chong, Samantha Y.; Stephenson, Andrew; Chen, Linjiang; Huang, Feihe; Cooper, Andrew I.","Styrene Purification by Guest-Induced Restructuring of Pillar[6]arene.","Journal of the American Chemical Society","2017","139","8","2908","2911","10.1021/jacs.6b13300","","","0.71073","MoKα","","0.1798","0.1055","","","0.2429","0.2957","","","","","","1.028","","","","has coordinates,has disorder","193054","2020-10-21","18:00:00",""
"4125658","11.612","0.0006","12.9629","0.0006","22.2541","0.0011","90","","91.391","0.003","90","","3348.8","0.3","240","","240","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C74 H94 O12 -","- C74 H94 O12 -","- C148 H188 O24 -","2","0.5","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Bonakala, Satyanarayana; Chong, Samantha Y.; Stephenson, Andrew; Chen, Linjiang; Huang, Feihe; Cooper, Andrew I.","Styrene Purification by Guest-Induced Restructuring of Pillar[6]arene.","Journal of the American Chemical Society","2017","139","8","2908","2911","10.1021/jacs.6b13300","","x-ray","1.54178","CuKα","","0.0765","0.0586","","","0.1506","0.1663","","","","","","1.041","","","","has coordinates,has disorder","193055","2020-10-21","18:00:00",""
"4125659","11.9397","0.0009","21.1861","0.0016","23.6062","0.0017","89.286","0.002","87.831","0.002","81.84","0.002","5906.5","0.8","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C63 H86 O12 -","- C63 H86 O12 -","- C252 H344 O48 -","4","2","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Bonakala, Satyanarayana; Chong, Samantha Y.; Stephenson, Andrew; Chen, Linjiang; Huang, Feihe; Cooper, Andrew I.","Styrene Purification by Guest-Induced Restructuring of Pillar[6]arene.","Journal of the American Chemical Society","2017","139","8","2908","2911","10.1021/jacs.6b13300","","x-ray","0.71073","MoKα","","0.1203","0.0681","","","0.1672","0.197","","","","","","1.024","","","","has coordinates,has disorder","193056","2020-10-21","18:00:00",""
"4125660","13.4593","0.0003","24.9166","0.0006","30.9993","0.0008","79.836","0.002","87.531","0.002","74.592","0.002","9864.9","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C112 H102 B2 F8 N4 O5 Pd -","- C104 H84 B2 F8 N4 O4 Pd -","- C416 H336 B8 F32 N16 O16 Pd4 -","4","2","","Van Raden, Jeff M.; Louie, Shayan; Zakharov, Lev N.; Jasti, Ramesh","2,2'-Bipyridyl-Embedded Cycloparaphenylenes as a General Strategy To Investigate Nanohoop-Based Coordination Complexes.","Journal of the American Chemical Society","2017","139","8","2936","2939","10.1021/jacs.7b00359","","","1.54178","CuKα","","0.1177","0.0816","","","0.2149","0.2354","","","","","","1.071","","","","has coordinates","193057","2020-10-21","18:00:00",""
"4125661","11.229","0.016","6.209","0.009","14.14","0.02","90","","113.29","0.02","90","","906","2","130","2","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O4 -","- C22 H34 O4 -","- C44 H68 O8 -","2","1","","Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei","Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione.","Journal of the American Chemical Society","2017","139","8","2932","2935","10.1021/jacs.7b00140","","","0.71073","MoKα","","0.2564","0.0959","","","0.1869","0.2626","","","","","","0.953","","","","has coordinates","193058","2020-10-21","18:00:00",""
"4125662","7.4292","0.0018","12.851","0.003","23.312","0.006","90","","90","","90","","2225.7","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 Cl2 O4 -","- C23 H32 Cl2 O4 -","- C92 H128 Cl8 O16 -","4","1","","Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei","Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione.","Journal of the American Chemical Society","2017","139","8","2932","2935","10.1021/jacs.7b00140","","","0.71073","MoKα","","0.104","0.0581","","","0.1301","0.1482","","","","","","0.999","","","","has coordinates","193059","2020-10-21","18:00:00",""
"4125663","7.7145","0.0009","9.0116","0.0011","14.7861","0.0017","84.679","0.002","80.262","0.002","67.698","0.002","936.87","0.19","130","","130","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C44 H60 O8 -","2","1","","Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei","Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione.","Journal of the American Chemical Society","2017","139","8","2932","2935","10.1021/jacs.7b00140","","","0.71073","MoKα","","0.0624","0.0464","","","0.1159","0.1269","","","","","","1.028","","","","has coordinates","193060","2020-10-21","18:00:00",""
"4125664","6.1968","0.0011","17.198","0.003","8.2164","0.0015","90","","109.494","0.004","90","","825.4","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C40 H48 O8 -","2","1","","Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei","Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione.","Journal of the American Chemical Society","2017","139","8","2932","2935","10.1021/jacs.7b00140","","","0.71073","MoKα","","0.0515","0.0462","","","0.1108","0.1151","","","","","","1.048","","","","has coordinates","193061","2020-10-21","18:00:00",""
"4125665","20.323","0.002","7.6843","0.0008","23.998","0.003","90","","90","","90","","3747.7","0.7","130","","130","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C176 H240 O32 -","8","2","","Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei","Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione.","Journal of the American Chemical Society","2017","139","8","2932","2935","10.1021/jacs.7b00140","","","0.71073","MoKα","","0.0787","0.0528","","","0.1069","0.1187","","","","","","1.012","","","","has coordinates","193062","2020-10-21","18:00:00",""
"4125666","26.455","0.003","25.742","0.003","13.1609","0.0015","90","","90","","90","","8962.6","1.8","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","CB8 Diadamantane 2,6-diammonium","CB8 Diadamantane 2,6-diammonium iodide chloride hydrate","","- C62 H111 Cl0.5 I1.5 N34 O35.5 -","- C62 H72 Cl0.5 I1.5 N34 O21.64 -","- C248 H288 Cl2 I6 N136 O86.56 -","4","0.5","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.0656","0.0598","","","0.127","0.1295","","","","","","1.021","","","","has coordinates,has disorder","193063","2020-10-21","18:00:00",""
"4125667","24.202","0.002","31.566","0.003","42.811","0.004","90","","90","","90","","32706","5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","CB7 diadamandate bis(anime dimethyl butylhydroxide iodide)","","- C68 H124 I2 N30 O33 -","- C68 H90 I0.5 N30 O18.836 -","- C1088 H1440 I8 N480 O301.376 -","16","2","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.1175","0.0936","","","0.1789","0.1932","","","","","","0.928","","","","has coordinates","193064","2020-10-21","18:00:00",""
"4125668","35.943","0.012","13.474","0.005","33.885","0.012","90","","90","","90","","16410","10","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","CB","","- C55 H110.5 I N29 O36.25 -","- C55 H66 I0.763 N29 O14 -","- C440 H528 I6.104 N232 O112 -","8","2","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.0845","0.0696","","","0.1558","0.1633","","","","","","1.015","","","","has coordinates,has disorder","193065","2020-10-21","18:00:00",""
"4125669","38.267","0.003","38.267","0.003","38.267","0.003","90","","90","","90","","56037","8","150","2","150","2","","","","","","","","6","I 2 3","I 2 2 3","197","","Na2[CB7@adm]3I5.57H2O","","- C165 H311.5 I5 N87 Na2 O98.75 -","- C165 H198 I4.953 N87 Na2 O90.532 -","- C1320 H1584 I39.624 N696 Na16 O724.256 -","8","0.333333","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.0832","0.0666","","","0.1525","0.1618","","","","","","1.145","","","","has coordinates,has disorder","193066","2020-10-21","18:00:00",""
"4125670","14.128","0.004","15.305","0.004","22.851","0.006","78.395","0.003","82.588","0.003","77.521","0.003","4707","2","195","2","195","2","","","","","","","","5","P -1","-P 1","2","","CB8","","- C66 H138 I2 N34 O45 -","- C66 H80 I2 N34 O16 -","- C132 H160 I4 N68 O32 -","2","1","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.1448","0.1136","","","0.2294","0.24","","","","","","1.055","","","","has coordinates","193067","2020-10-21","18:00:00",""
"4125671","28.832","0.002","28.832","0.002","18.2998","0.0015","90","","90","","90","","15212.3","1.9","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","CB7","","- C59 H93 I N29 O25.5 -","- C59 H70 I0.87 N29 O17.204 -","- C472 H560 I6.96 N232 O137.632 -","8","0.5","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.064","0.0489","","","0.097","0.1035","","","","","","1.134","","","","has coordinates,has disorder","193068","2020-10-21","18:00:00",""
"4125672","22.677","0.002","22.677","0.002","17.973","0.001","90","","90","","120","","8004.3","1.1","100","0.1","100","0.1","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C154 H150 N17 O47 Tb9 -","- C144 H78 N12 O47 Tb9 -","- C144 H78 N12 O47 Tb9 -","1","0.0416667","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","","1.54178","CuKα","","0.1767","0.1733","","","0.3435","0.3443","","","","","","1.09","","","","has coordinates,has disorder","193069","2020-10-21","18:00:00",""
"4125673","19.985","0.002","17.414","0.001","20.09","0.002","90","","115.567","0.005","90","","6307.1","1","100","2","100.15","","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C160 H136 F2 N4 O38 Tb6 -","- C138 H81 O36 Tb6 -","- C138 H81 O36 Tb6 -","1","0.25","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","x-ray","1.54184","CuKα","","0.2106","0.1843","","","0.4757","0.5045","","","","","","2.015","","","","has coordinates,has disorder","193070","2020-10-21","18:00:00",""
"4125674","18.998","0.001","17.5118","0.0007","19.567","0.001","90","","115.009","0.008","90","","5899.4","0.6","100","0.1","100","0.1","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C160 H136 F2 N4 O38 Y6 -","- C152 H92 F2 O38 Y6 -","- C152 H92 F2 O38 Y6 -","1","0.25","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","x-ray","1.54184","CuKα","","0.1597","0.1342","","","0.3634","0.3841","","","","","","1.41","","","","has coordinates,has disorder","193071","2020-10-21","18:00:00",""
"4125675","23.041","0.002","23.041","0.002","17.576","0.002","90","","90","","120","","8080.8","1.4","100","0.1","100","0.1","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C154 H148 Cl3 Fe3 N17 O47 Y9 -","- C144 H72 Cl3 Fe3 N12 O47 Y9 -","- C144 H72 Cl3 Fe3 N12 O47 Y9 -","1","0.0416667","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","","1.54178","CuKα","","0.0833","0.0818","","","0.2374","0.2388","","","","","","1.026","","","","has coordinates,has disorder","193072","2020-10-21","18:00:00",""
"4125676","22.689","0.003","22.689","0.003","17.861","0.003","90","","90","","120","","7963","2","100","0.1","100","0.1","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C154 H150 N17 O47 Y9 -","- C144 H84 N12 O47 Y9 -","- C144 H84 N12 O47 Y9 -","1","0.0416667","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","","1.54178","CuKα","","0.1169","0.1101","","","0.2851","0.2889","","","","","","1.032","","","","has coordinates,has disorder","193073","2020-10-21","18:00:00",""
"4125677","39.039","0.002","39.039","0.002","24.901","0.001","90","","90","","120","","32866","3","100","0.1","100","0.1","","","","","","","","5","P 6/m","-P 6","175","","","","- C68.75 H49.58 In3 N0.58 O21.33 -","- C69.0001 H43.75 In3 N0.58335 O21.5833 -","- C828.001 H525 In36 N7.0002 O259 -","12","1","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","","1.54184","CuKα","","0.0827","0.0634","","","0.1964","0.2144","","","","","","0.85","","","","has coordinates,has disorder","193074","2020-10-21","18:00:00",""
"4125678","22.779","0.002","22.779","0.002","17.808","0.002","90","","90","","120","","8002.3","1.3","100","0.1","100","0.1","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C154 H154 N17 O50 Y9 Zn3 -","- C144 H72 N12 O50 Y9 Zn3 -","- C144 H72 N12 O50 Y9 Zn3 -","1","0.0416667","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","","1.54178","CuKα","","0.1386","0.1283","","","0.267","0.2693","","","","","","1.051","","","","has coordinates,has disorder","193075","2020-10-21","18:00:00",""
"4125679","24.0888","0.0008","24.0888","0.0008","23.9689","0.0009","90","","90","","120","","12045.1","0.7","100","2","100","0.1","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C132 H90 Cu6 O36 -","- C132 H78 Cu6 O36 -","- C264 H156 Cu12 O72 -","2","0.0833333","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","","1.54178","CuKα","","0.2214","0.1845","","","0.5151","0.5606","","","","","","2.837","","","","has coordinates,has disorder","193076","2020-10-21","18:00:00",""
"4125680","24.1524","0.001","40.1868","0.0017","23.7972","0.0015","90","","118.944","0.002","90","","20212.7","1.8","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","PgC3OH, py, DMF, Mg","C-propan-3-ol pyrogallol[4]arene, pyridine, dimethylformamide, Magnesium","","- C352 H316 N24 Ni24 O124 -","- C352 H316 N24 Ni24 O124 -","- C704 H632 N48 Ni48 O248 -","2","0.25","","Zhang, Chen; Patil, Rahul S.; Liu, Chong; Barnes, Charles L.; Atwood, Jerry L.","Controlled 2D Assembly of Nickel-Seamed Hexameric Pyrogallol[4]arene Nanocapsules.","Journal of the American Chemical Society","2017","139","8","2920","2923","10.1021/jacs.7b00037","","","1.54178","CuKα","","0.1166","0.0898","","","0.2664","0.3089","","","","","","1.05","","","","has coordinates,has disorder","193077","2020-10-21","18:00:00",""
"4125681","37.979","0.001","37.979","0.001","22.4734","0.0007","90","","90","","120","","28072.8","1.4","100","2","100","2","","","","","","","","5","P -3","-P 3","147","PgC3OH, DMF, Ni","C-propan-3-ol pyrogallol[4]arene, dimethylformamide, nickel","","- C246 H204 N2 Ni24 O138 -","- C246 H204 N2 Ni24 O138 -","- C738 H612 N6 Ni72 O414 -","3","0.5","","Zhang, Chen; Patil, Rahul S.; Liu, Chong; Barnes, Charles L.; Atwood, Jerry L.","Controlled 2D Assembly of Nickel-Seamed Hexameric Pyrogallol[4]arene Nanocapsules.","Journal of the American Chemical Society","2017","139","8","2920","2923","10.1021/jacs.7b00037","","","1.54178","CuKα","","0.2247","0.1573","","","0.4324","0.5132","","","","","","1.984","","","","has coordinates","193078","2020-10-21","18:00:00",""
"4125682","5.93","0.0003","7.2867","0.0005","20.9055","0.0013","90","","90.331","0.003","90","","903.31","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 O2 S -","- C10 H10 O2 S -","- C40 H40 O8 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0435","0.0352","","","0.0817","0.0871","","","","","","1.064","","","","has coordinates","193079","2020-10-21","18:00:00",""
"4125683","5.4305","0.0005","14.9364","0.0014","12.9201","0.0012","90","","91.931","0.002","90","","1047.38","0.17","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H27 F2 N O2 S -","- C23 H27 F2 N O2 S -","- C46 H54 F4 N2 O4 S2 -","2","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.044","0.0354","","","0.0751","0.0794","","","","","","1.038","","","","has coordinates","193080","2020-10-21","18:00:00",""
"4125684","13.4547","0.001","8.861","0.0007","11.071","0.001","90","","93.662","0.003","90","","1317.21","0.19","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N2 O3 -","- C12 H22 N2 O3 -","- C48 H88 N8 O12 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0544","0.0395","","","0.0872","0.0951","","","","","","1.05","","","","has coordinates","193081","2020-10-21","18:00:00",""
"4125685","6.7986","0.0006","11.0791","0.0009","13.905","0.0011","90","","90","","90","","1047.36","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 F2 O2 S -","- C11 H10 F2 O2 S -","- C44 H40 F8 O8 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0401","0.0376","","","0.0953","0.0978","","","","","","1.05","","","","has coordinates","193082","2020-10-21","18:00:00",""
"4125686","5.5183","0.001","12.654","0.003","12.84","0.002","81.396","0.008","81.489","0.007","77.545","0.007","859.4","0.3","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 F2 N O2 S -","- C18 H19 F2 N O2 S -","- C36 H38 F4 N2 O4 S2 -","2","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0532","0.0403","","","0.0945","0.1008","","","","","","1.051","","","","has coordinates","193083","2020-10-21","18:00:00",""
"4125687","9.5438","0.0002","5.9781","0.0001","35.8879","0.0007","90","","90.349","0.001","90","","2047.5","0.07","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H26 F2 N2 O2 S -","- C22 H26 F2 N2 O2 S -","- C88 H104 F8 N8 O8 S4 -","4","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","","1.54178","CuKα","","0.0364","0.0335","","","0.0872","0.0973","","","","","","1.1535","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4125688","63.0604","0.0012","6.0203","0.0001","9.4894","0.0002","90","","98.123","0.001","90","","3566.44","0.12","125","","125","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H21 F2 N O2 S -","- C20 H21 F2 N O2 S -","- C160 H168 F16 N8 O16 S8 -","8","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","1.54178","CuKα","","0.0372","0.0338","","","0.079","0.0809","","","","","","1.076","","","","has coordinates","193085","2020-10-21","18:00:00",""
"4125689","7.9193","0.0011","8.1426","0.0012","10.5945","0.0018","104.903","0.004","109.324","0.003","99.177","0.003","600.17","0.16","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C12 H11 F3 O2 S -","- C12 H11 F3 O2 S -","- C24 H22 F6 O4 S2 -","2","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.039","0.0335","","","0.0794","0.0829","","","","","","1.025","","","","has coordinates,has disorder","193086","2020-10-21","18:00:00",""
"4125690","20.4678","0.0007","7.5827","0.0003","32.8729","0.0011","90","","90","","90","","5101.9","0.3","230","2","230","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H33 B N2 O4 -","- C27 H33 B N2 O4 -","- C216 H264 B8 N16 O32 -","8","2","","McFadden, Timothy R.; Fang, Cheng; Geib, Steven J.; Merling, Everett; Liu, Peng; Curran, Dennis P.","Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate.","Journal of the American Chemical Society","2017","139","5","1726","1729","10.1021/jacs.6b09873","","","1.54178","CuKα","","0.1294","0.0964","","","0.2146","0.2282","","","","","","1.649","","","","has coordinates,has disorder","193087","2020-10-21","18:00:00",""
"4125691","6.2528","0.0004","12.5234","0.0008","10.2768","0.0006","90","","91.269","0.002","90","","804.54","0.09","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","Nickel Pyridine carboxylate","'Nickel Pyridine carboxylate'","","- C15 H15 N3 Ni O5 -","- C15 H15 N3 Ni O5 -","- C30 H30 N6 Ni2 O10 -","2","1","","Nandi, Shyamapada; Collins, Sean; Chakraborty, Debanjan; Banerjee, Debasis; Thallapally, Praveen K.; Woo, Tom K.; Vaidhyanathan, Ramanathan","Ultralow Parasitic Energy for Postcombustion CO2 Capture Realized in a Nickel Isonicotinate Metal-Organic Framework with Excellent Moisture Stability.","Journal of the American Chemical Society","2017","139","5","1734","1737","10.1021/jacs.6b10455","","","1.54178","CuKα","","0.038","0.0379","","","0.1032","0.1033","","","","","","1.055","","","","has coordinates","193088","2020-10-21","18:00:00",""
"4125692","7.742","0.003","7.223","0.003","5.956","0.002","90","","92.953","0.006","90","","332.6","0.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 S -","- C7 H8 S -","- C14 H16 S2 -","2","0.5","","Forbes, Christina R.; Sinha, Sudipta K.; Ganguly, Himal K.; Bai, Shi; Yap, Glenn P. A.; Patel, Sandeep; Zondlo, Neal J.","Insights into Thiol-Aromatic Interactions: A Stereoelectronic Basis for S-H/π Interactions.","Journal of the American Chemical Society","2017","139","5","1842","1855","10.1021/jacs.6b08415","","","0.71073","MoKα","","0.0809","0.0575","","","0.1597","0.1745","","","","","","1.077","","","","has coordinates,has disorder","193089","2020-10-21","18:00:00",""
"4125693","13.3911","0.0004","14.404","0.0005","17.522","0.0005","94.495","0.002","94.496","0.002","101.582","0.003","3285.37","0.18","172.95","0.1","172.95","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C68 H60 Cl F6 N O2 Os P4 -","- C68 H60 Cl F6 N O2 Os P4 -","- C136 H120 Cl2 F12 N2 O4 Os2 P8 -","2","1","","Luo, Ming; Long, Lipeng; Zhang, Hong; Yang, Yuhui; Hua, Yuhui; Liu, Gang; Lin, Zhenyang; Xia, Haiping","Reactions of Isocyanides with Metal Carbyne Complexes: Isolation and Characterization of Metallacyclopropenimine Intermediates.","Journal of the American Chemical Society","2017","139","5","1822","1825","10.1021/jacs.6b13275","","","0.71073","MoKα","","0.0287","0.0262","","","0.0687","0.0707","","","","","","1.084","","","","has coordinates","193090","2020-10-21","18:00:00",""
"4125694","21.9542","0.0004","17.4974","0.0003","22.3684","0.0004","90","","119.343","0.001","90","","7490.2","0.2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Cl2 N O4 Os P3 S -","- C72 H60 Cl2 N O4 Os P3 S -","- C288 H240 Cl8 N4 O16 Os4 P12 S4 -","4","1","","Luo, Ming; Long, Lipeng; Zhang, Hong; Yang, Yuhui; Hua, Yuhui; Liu, Gang; Lin, Zhenyang; Xia, Haiping","Reactions of Isocyanides with Metal Carbyne Complexes: Isolation and Characterization of Metallacyclopropenimine Intermediates.","Journal of the American Chemical Society","2017","139","5","1822","1825","10.1021/jacs.6b13275","","","0.71073","MoKα","","0.0768","0.0576","","","0.1479","0.1598","","","","","","1.065","","","","has coordinates","193090","2020-10-21","18:00:00",""
"4125695","23.7295","0.0005","13.9429","0.0002","20.7926","0.0004","90","","108.662","0.002","90","","6517.7","0.2","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C70.4 H62.8 B Cl1.8 F4 N O2 Os P3 -","- C70.4 H62.8 B Cl1.8 F4 N O2 Os P3 -","- C281.6 H251.2 B4 Cl7.2 F16 N4 O8 Os4 P12 -","4","1","","Luo, Ming; Long, Lipeng; Zhang, Hong; Yang, Yuhui; Hua, Yuhui; Liu, Gang; Lin, Zhenyang; Xia, Haiping","Reactions of Isocyanides with Metal Carbyne Complexes: Isolation and Characterization of Metallacyclopropenimine Intermediates.","Journal of the American Chemical Society","2017","139","5","1822","1825","10.1021/jacs.6b13275","","","1.54178","CuKα","","0.0796","0.0701","","","0.2051","0.2167","","","","","","1.084","","","","has coordinates","193090","2020-10-21","18:00:00",""
"4125696","11.6666","0.0004","12.6271","0.0004","22.2623","0.0006","93.498","0.002","98.272","0.002","108.058","0.003","3066.1","0.18","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H73 Cl4 N3 O3 Os P2 -","- C67 H67 Cl4 N3 O3 Os P2 -","- C134 H134 Cl8 N6 O6 Os2 P4 -","2","1","","Luo, Ming; Long, Lipeng; Zhang, Hong; Yang, Yuhui; Hua, Yuhui; Liu, Gang; Lin, Zhenyang; Xia, Haiping","Reactions of Isocyanides with Metal Carbyne Complexes: Isolation and Characterization of Metallacyclopropenimine Intermediates.","Journal of the American Chemical Society","2017","139","5","1822","1825","10.1021/jacs.6b13275","","","0.71073","MoKα","","0.047","0.0392","","","0.0906","0.0936","","","","","","1.053","","","","has coordinates,has disorder","193090","2020-10-21","18:00:00",""
"4125697","4.035","0.006","5.763","0.008","14.35","0.02","90","","97.21","0.02","90","","331.1","0.8","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 Br2 -","- C6 H4 Br2 -","- C12 H8 Br4 -","2","0.5","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.065","0.0629","","","0.1856","0.1884","","","","","","1.171","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125698","11.962","0.013","3.883","0.004","13.154","0.015","90","","104.983","0.015","90","","590.2","1.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H7 Cl2 F O2 -","- C13 H7 Cl2 F O2 -","- C26 H14 Cl4 F2 O4 -","2","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0596","0.0567","","","0.1451","0.1673","","","","","","1.107","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125699","15.465","0.019","3.935","0.005","19.66","0.02","90","","90.31","0.016","90","","1196","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br Cl O2 -","- C13 H8 Br Cl O2 -","- C52 H32 Br4 Cl4 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0664","0.0545","","","0.1558","0.1899","","","","","","1.236","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125700","24.903","0.011","6.092","0.003","7.799","0.003","90","","98.59","0.005","90","","1169.9","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br Cl O2 -","- C13 H8 Br Cl O2 -","- C52 H32 Br4 Cl4 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0516","0.0462","","","0.1314","0.16","","","","","","1.203","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125701","15.327","0.015","3.927","0.004","19.608","0.019","90","","90.909","0.014","90","","1180","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br Cl O2 -","- C13 H8 Br Cl O2 -","- C52 H32 Br4 Cl4 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0595","0.0493","","","0.1393","0.1747","","","","","","1.217","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125702","16.492","0.018","3.855","0.004","19.83","0.02","90","","98.666","0.014","90","","1246","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 Cl3 O2 -","- C13 H7 Cl3 O2 -","- C52 H28 Cl12 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0592","0.0523","","","0.1369","0.1648","","","","","","1.155","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125703","3.9952","0.0019","11.784","0.005","27.285","0.013","90","","90","","90","","1284.6","1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 I N O4 -","- C13 H8 I N O4 -","- C52 H32 I4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0392","0.0361","","","0.0968","0.1242","","","","","","1.185","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125704","3.9824","0.0016","12.681","0.005","27.238","0.011","90","","90","","90","","1375.5","1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 I N O4 -","- C14 H10 I N O4 -","- C56 H40 I4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0487","0.0452","","","0.1278","0.1471","","","","","","1.149","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125705","3.845","0.002","11.65","0.007","27.482","0.016","90","","90","","90","","1231","1.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 Br N O4 -","- C13 H8 Br N O4 -","- C52 H32 Br4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0403","0.0367","","","0.0995","0.1322","","","","","","1.156","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125706","3.798","0.003","11.703","0.009","27.12","0.02","90","","90","","90","","1205.4","1.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 Cl N O4 -","- C13 H8 Cl N O4 -","- C52 H32 Cl4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0519","0.0478","","","0.1163","0.1382","","","","","","1.092","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125707","3.843","0.003","12.597","0.008","27.201","0.018","90","","90","","90","","1316.8","1.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 Br N O4 -","- C14 H10 Br N O4 -","- C56 H40 Br4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0446","0.0412","","","0.1061","0.1393","","","","","","1.198","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125708","3.878","0.006","12.317","0.019","28.6","0.05","90","","90","","90","","1366","4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Br F N O4 -","- C14 H9 Br F N O4 -","- C56 H36 Br4 F4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0663","0.0554","","","0.1448","0.1779","","","","","","1.128","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125709","13.74","0.02","11.042","0.019","7.666","0.013","90","","101.125","0.016","90","","1141","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Br O2 -","- C13 H9 Br O2 -","- C52 H36 Br4 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0685","0.0537","","","0.1265","0.1455","","","","","","1.118","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125710","14.896","0.008","11.086","0.006","7.596","0.004","90","","97.57","0.02","90","","1243.4","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cl I O2 -","- C13 H8 Cl I O2 -","- C52 H32 Cl4 I4 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0438","0.0407","","","0.1139","0.1373","","","","","","1.198","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125711","15.862","0.011","3.822","0.003","19.238","0.013","90","","91.965","0.009","90","","1165.6","1.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Cl O3 -","- C14 H9 Cl O3 -","- C56 H36 Cl4 O12 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0507","0.0416","","","0.1056","0.1393","","","","","","1.17","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125712","27.0338","0.0005","27.0338","0.0005","16.1483","0.0004","90","","90","","120","","10220.5","0.4","100","2","100","","","","","","","","","5","R -3","-R 3","148","","","","- C23 H28.16 B F4 O1.75 -","- C23.0008 H28.1656 B F4 O1.749 -","- C414.014 H506.981 B18 F72 O31.482 -","18","","","Lange, Ralph Z.; Hofer, Gregor; Weber, Thomas; Schlüter, A Dieter","A Two-Dimensional Polymer Synthesized through Topochemical [2 + 2]-Cycloaddition on the Multigram Scale.","Journal of the American Chemical Society","2017","139","5","2053","2059","10.1021/jacs.6b11857","","","0.71073","MoKα","","0.1622","0.1175","","","0.3065","0.3429","","","","","","1.029","","","","has coordinates,has disorder","193093","2020-10-21","18:00:00",""
"4125713","8.8549","0.0009","10.1984","0.001","20.531","0.002","81.077","0.002","86.856","0.002","66.166","0.002","1675.4","0.3","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H52 Co N4 Si4 -","- C25 H52 Co N4 Si4 -","- C50 H104 Co2 N8 Si8 -","2","1","","Liu, Yang; Deng, Liang","Mode of Activation of Cobalt(II) Amides for Catalytic Hydrosilylation of Alkenes with Tertiary Silanes.","Journal of the American Chemical Society","2017","139","5","1798","1801","10.1021/jacs.6b12938","","","0.71073","MoKα","","0.0566","0.0368","","","0.0847","0.0926","","","","","","1.038","","","","has coordinates","193094","2020-10-21","18:00:00",""
"4125714","12.7758","0.001","13.6376","0.0011","21.6312","0.0017","90","","105.942","0.002","90","","3623.9","0.5","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H54 Co N3 Si2 -","- C33 H54 Co N3 Si2 -","- C132 H216 Co4 N12 Si8 -","4","1","","Liu, Yang; Deng, Liang","Mode of Activation of Cobalt(II) Amides for Catalytic Hydrosilylation of Alkenes with Tertiary Silanes.","Journal of the American Chemical Society","2017","139","5","1798","1801","10.1021/jacs.6b12938","","","0.71073","MoKα","","0.069","0.0396","","","0.087","0.099","","","","","","1.012","","","","has coordinates","193094","2020-10-21","18:00:00",""
"4125715","10.2475","0.0019","20.416","0.004","14.107","0.003","90","","99.064","0.004","90","","2914.5","1","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H43 Co N2 -","- C33 H43 Co N2 -","- C132 H172 Co4 N8 -","4","1","","Liu, Yang; Deng, Liang","Mode of Activation of Cobalt(II) Amides for Catalytic Hydrosilylation of Alkenes with Tertiary Silanes.","Journal of the American Chemical Society","2017","139","5","1798","1801","10.1021/jacs.6b12938","","","0.71073","MoKα","","0.0966","0.0465","","","0.0905","0.1072","","","","","","0.998","","","","has coordinates","193094","2020-10-21","18:00:00",""
"4125716","17.846","0.01","4.728","0.003","18.465","0.011","90","","111.556","0.008","90","","1449","1.5","298","","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Pd S8 -","- C8 H8 Pd S8 -","- C32 H32 Pd4 S32 -","4","1","","Kato, Reizo; Cui, HengBo; Tsumuraya, Takao; Miyazaki, Tsuyoshi; Suzumura, Yoshikazu","Emergence of the Dirac Electron System in a Single-Component Molecular Conductor under High Pressure.","Journal of the American Chemical Society","2017","139","5","1770","1773","10.1021/jacs.6b12187","","","0.71075","MoKα","","","0.0346","","","","0.0798","","","","","","1.092","","","","has coordinates","193095","2020-10-21","18:00:00",""
"4125717","11.6613","0.0019","11.813","0.002","24.565","0.006","90","","90","","90","","3384","1.1","566","2","566","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 Br N O2 -","- C31 H30 Br N O2 -","- C124 H120 Br4 N4 O8 -","4","1","","Zhang, Lei; Zhang, Jian; Ma, Ji; Cheng, Dao-Juan; Tan, Bin","Highly Atroposelective Synthesis of Arylpyrroles by Catalytic Asymmetric Paal-Knorr Reaction.","Journal of the American Chemical Society","2017","139","5","1714","1717","10.1021/jacs.6b09634","","","0.71","MoKα","","0.0947","0.0814","","","0.2243","0.2436","","","","","","1.025","","","","has coordinates","193096","2020-10-21","18:00:00",""
"4125718","3.4719","0.0003","30.764","0.004","11.0663","0.0013","90","","90.2099","0.0007","90","","1182","0.2","100","","99.93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H3 N4 O3 S4 -","- C8 H3 N4 O3 S4 -","- C32 H12 N16 O12 S16 -","4","1","","Mailman, Aaron; Wong, Joanne W. L.; Winter, Stephen M.; Claridge, Robert C. M.; Robertson, Craig M.; Assoud, Abdeljalil; Yong, Wenjun; Steven, Eden; Dube, Paul A.; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Oakley, Richard T.","Fine Tuning the Performance of Multiorbital Radical Conductors by Substituent Effects.","Journal of the American Chemical Society","2017","139","4","1625","1635","10.1021/jacs.6b11779","","","0.71073","MoKα","","0.0534","0.036","","","0.0757","0.0818","","","","","","1.043","","","","has coordinates,has disorder","193097","2020-10-21","18:00:00",""
"4125719","25.0506","0.0002","23.9588","0.0002","14.9339","0.0002","90","","117.778","0.0005","90","","7930.13","0.14","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6.75 H1.25 N3.25 O3 S4 -","- C6.75 H1.25 N3.25 O3 S4 -","- C216 H40 N104 O96 S128 -","32","4","","Mailman, Aaron; Wong, Joanne W. L.; Winter, Stephen M.; Claridge, Robert C. M.; Robertson, Craig M.; Assoud, Abdeljalil; Yong, Wenjun; Steven, Eden; Dube, Paul A.; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Oakley, Richard T.","Fine Tuning the Performance of Multiorbital Radical Conductors by Substituent Effects.","Journal of the American Chemical Society","2017","139","4","1625","1635","10.1021/jacs.6b11779","","","0.71073","MoKα","","0.0767","0.043","","","0.0731","0.0918","","","","","","1.391","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4125720","6.8628","0.0007","19.7443","0.0019","9.1054","0.0008","90","","111.017","0.003","90","","1151.71","0.19","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H13 B I2 O2 -","- C7 H13 B I2 O2 -","- C28 H52 B4 I8 O8 -","4","1","","Benoit, Guillaume; Charette, André B","Diastereoselective Borocyclopropanation of Allylic Ethers Using a Boromethylzinc Carbenoid.","Journal of the American Chemical Society","2017","139","4","1364","1367","10.1021/jacs.6b09090","","x-ray","1.34139","GaKα","","0.0406","0.0402","","","0.1627","0.1635","","","","","","1.488","","","","has coordinates","193099","2020-10-21","18:00:00",""
"4125721","6.6124","0.0003","11.5841","0.0005","30.0883","0.0011","90","","92.3994","0.0018","90","","2302.7","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H37 B O3 Si -","- C22 H37 B O3 Si -","- C88 H148 B4 O12 Si4 -","4","1","","Benoit, Guillaume; Charette, André B","Diastereoselective Borocyclopropanation of Allylic Ethers Using a Boromethylzinc Carbenoid.","Journal of the American Chemical Society","2017","139","4","1364","1367","10.1021/jacs.6b09090","","x-ray","1.54178","CuKα","","0.0769","0.0702","","","0.1892","0.1948","","","","","","1.063","","","","has coordinates,has disorder","193100","2020-10-21","18:00:00",""
"4125722","43.652","0.002","43.652","0.002","11.4512","0.0007","90","","90","","120","","18896.9","1.7","123","2","123","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C252 H258 N30 O21 Zn6 -","- C252 H258 N30 O21 Zn6 -","- C756 H774 N90 O63 Zn18 -","3","0.333333","","Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong","Chiral NH-Controlled Supramolecular Metallacycles.","Journal of the American Chemical Society","2017","139","4","1554","1564","10.1021/jacs.6b11422","","","1.54178","CuKα","","0.1348","0.0886","","","0.2048","0.2299","","","","","","1.026","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4125723","43.9623","0.0012","43.9623","0.0012","11.3572","0.0005","90","","90","","120","","19009.2","1.1","173","2","173.15","","","","","","","","","5","R 3 :H","R 3","146","","","","- C228 H255 N24 O18 Zn6 -","- C228 H255 N24 O18 Zn6 -","- C684 H765 N72 O54 Zn18 -","3","0.333333","","Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong","Chiral NH-Controlled Supramolecular Metallacycles.","Journal of the American Chemical Society","2017","139","4","1554","1564","10.1021/jacs.6b11422","","","1.54178","CuKα","","0.0757","0.0662","","","0.1846","0.1954","","","","","","1.036","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4125724","43.6574","0.0017","43.6574","0.0017","11.5213","0.0006","90","","90","","120","","19017.3","1.4","123","2","123","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C252 H258 N24 O24 Zn6 -","- C252 H258 N24 O24 Zn6 -","- C756 H774 N72 O72 Zn18 -","3","0.333333","","Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong","Chiral NH-Controlled Supramolecular Metallacycles.","Journal of the American Chemical Society","2017","139","4","1554","1564","10.1021/jacs.6b11422","","","1.54178","CuKα","","0.126","0.0959","","","0.2256","0.252","","","","","","1.035","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4125725","43.7244","0.0016","43.7244","0.0016","11.683","0.0009","90","","90","","120","","19343.4","1.8","123","2","123.15","","","","","","","","","5","R 3 :H","R 3","146","","","","- C234 H258 N24 O18 Zn6 -","- C234 H258 N24 O18 Zn6 -","- C702 H774 N72 O54 Zn18 -","3","0.333333","","Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong","Chiral NH-Controlled Supramolecular Metallacycles.","Journal of the American Chemical Society","2017","139","4","1554","1564","10.1021/jacs.6b11422","","","1.54178","CuKα","","0.179","0.0828","","","0.2383","0.2798","","","","","","1.128","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4125726","9.5946","0.0003","16.4468","0.0005","18.9308","0.0006","98.641","0.003","104.363","0.003","90.039","0.002","2858.82","0.16","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 Cl Mn N5 O6.5 -","- C28 H33 Cl Mn N5 O6.5 -","- C112 H132 Cl4 Mn4 N20 O26 -","4","2","","Kenkel, Isabell; Franke, Alicja; Dürr, Maximilian; Zahl, Achim; Dücker-Benfer, Carlos; Langer, Jens; Filipović, Milos R; Yu, Meng; Puchta, Ralph; Fiedler, Stephanie R.; Shores, Matthew P.; Goldsmith, Christian R.; Ivanović-Burmazović, Ivana","Switching between Inner- and Outer-Sphere PCET Mechanisms of Small-Molecule Activation: Superoxide Dismutation and Oxygen/Superoxide Reduction Reactivity Deriving from the Same Manganese Complex.","Journal of the American Chemical Society","2017","139","4","1472","1484","10.1021/jacs.6b08394","","x-ray","0.71073","MoKα","","0.0476","0.044","","","0.1194","0.1211","","","","","","1.02","","","","has coordinates","193105","2020-10-21","18:00:00",""
"4125727","10.322","0.002","13.409","0.003","13.848","0.003","106.575","0.003","108.044","0.003","95.5983","0.0012","1709.9","0.6","253","2","253","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H37 Mn O2 P2 -","- C39 H37 Mn O2 P2 -","- C78 H74 Mn2 O4 P4 -","2","2","","Kamikawa, Ken; Tseng, Ya-Yi; Jian, Jia-Hong; Takahashi, Tamotsu; Ogasawara, Masamichi","Planar-Chiral Phosphine-Olefin Ligands Exploiting a (Cyclopentadienyl)manganese(I) Scaffold To Achieve High Robustness and High Enantioselectivity.","Journal of the American Chemical Society","2017","139","4","1545","1553","10.1021/jacs.6b11243","","","0.71075","MoKα","","0.0346","0.0302","","","0.0748","0.083","","","","","","1.034","","","","has coordinates","193106","2020-10-21","18:00:00",""
"4125728","15.724","0.003","15.989","0.003","17.291","0.004","88.888","0.011","75.797","0.008","65.447","0.007","3816.4","1.4","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H57 Cl5 Mn2 O4 P4 Rh2 -","- C79.5 H77 Cl5 Mn2 O4 P4 Rh2 -","- C159 H154 Cl10 Mn4 O8 P8 Rh4 -","2","1","","Kamikawa, Ken; Tseng, Ya-Yi; Jian, Jia-Hong; Takahashi, Tamotsu; Ogasawara, Masamichi","Planar-Chiral Phosphine-Olefin Ligands Exploiting a (Cyclopentadienyl)manganese(I) Scaffold To Achieve High Robustness and High Enantioselectivity.","Journal of the American Chemical Society","2017","139","4","1545","1553","10.1021/jacs.6b11243","","","0.71075","MoKα","","0.1081","0.0676","","","0.1438","0.1803","","","","","","1.065","","","","has coordinates,has disorder","193107","2020-10-21","18:00:00",""
"4125729","6.7401","0.0003","11.1362","0.0004","13.6362","0.0005","90","","90","","90","","1023.52","0.07","220","2","220","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","","Smalley, Adam P.; Cuthbertson, James D.; Gaunt, Matthew J.","Palladium-Catalyzed Enantioselective C-H Activation of Aliphatic Amines Using Chiral Anionic BINOL-Phosphoric Acid Ligands.","Journal of the American Chemical Society","2017","139","4","1412","1415","10.1021/jacs.6b12234","","","1.54178","CuKα","","0.0261","0.0254","","","0.0658","0.0667","","","","","","1.059","","","","has coordinates","193108","2020-10-21","18:00:00",""
"4125730","5.01871","0.00009","5.01871","0.00009","13.5879","0.0003","90","","90","","120","","296.392","0.01","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","GaFeO3_polar_corundum","- Fe Ga O3 -","- Fe Ga O3 -","- Fe6 Ga6 O18 -","6","0.333333","","Niu, Hongjun; Pitcher, Michael J.; Corkett, Alex J.; Ling, Sanliang; Mandal, Pranab; Zanella, Marco; Dawson, Karl; Stamenov, Plamen; Batuk, Dmitry; Abakumov, Artem M.; Bull, Craig L.; Smith, Ronald I.; Murray, Claire A.; Day, Sarah J.; Slater, Ben; Cora, Furio; Claridge, John B.; Rosseinsky, Matthew J.","Room Temperature Magnetically Ordered Polar Corundum GaFeO3 Displaying Magnetoelectric Coupling.","Journal of the American Chemical Society","2017","139","4","1520","1531","10.1021/jacs.6b11128","","neutron","","","","0.0524","","","0.0509","","","","","","","","","","","","has coordinates","204144","2020-10-21","18:00:00",""
"4125731","23.42","0.003","10.569","0.0015","22.221","0.003","90","","91.868","0.003","90","","5497.4","1.3","100","","100","","","","","","","","dichloromethane","9","C 1 2 1","C 2y","5","","Title","","- C52.5 H55.5 Au Cl4 F6 N2 O4 P Sb -","- C52.5 H55.5 Au Cl4 F6 N2 O4 P Sb -","- C210 H222 Au4 Cl16 F24 N8 O16 P4 Sb4 -","4","1","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","Mo-Kα","","0.0347","0.0306","","","0.0764","0.0783","","","","","","1.057","","","","has coordinates,has disorder","193110","2020-10-21","18:00:00",""
"4125732","18.4625","0.0009","14.204","0.0007","7.6031","0.0004","90","","108.652","0.0018","90","","1889.13","0.17","100","","100","","","","","","","","dichlormethane","2","C 1 2/c 1","-C 2yc","15","","Title","","- C28 H20 -","- C28 H20 -","- C112 H80 -","4","0.5","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","1.54178","Cu-Kα","","0.0502","0.0406","","","0.1082","0.1204","","","","","","1.123","","","","has coordinates","193111","2020-10-21","18:00:00",""
"4125733","10.75","0.004","24.403","0.014","25.635","0.006","90","","90","","90","","6725","5","100","","100","","","","","","","","dichloromethane,pentane","9","P 21 21 21","P 2ac 2ab","19","","Title","","- C69.5 H63 Au Cl4 F6 N2 O4 P Sb -","- C69.5 H63 Au Cl4 F6 N2 O4 P Sb -","- C278 H252 Au4 Cl16 F24 N8 O16 P4 Sb4 -","4","1","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","MoKα","","0.1087","0.0681","","","0.1573","0.1859","","","","","","1.054","","","","has coordinates,has disorder","193112","2020-10-21","18:00:00",""
"4125734","10.983","0.0012","11.4243","0.0012","13.3626","0.0014","66.668","0.002","83.965","0.002","88.252","0.002","1530.9","0.3","100","","100","","","","","","","","dichloromethane,pentane","9","P 1","P 1","1","","Title","","- C55.5 H49 Au Cl2 F18 N2 O4 P Sb -","- C55.5 H49 Au Cl2 F17.9997 N2 O4 P Sb -","- C55.5 H49 Au Cl2 F17.9997 N2 O4 P Sb -","1","1","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","Mo-Kα","","0.0598","0.047","","","0.1046","0.1113","","","","","","1.016","","","","has coordinates,has disorder","193113","2020-10-21","18:00:00",""
"4125735","11.7711","0.0017","18.123","0.003","12.1515","0.0018","90","","113.687","0.003","90","","2373.9","0.6","100","","100","","","","","","","","dichloromethane","7","P 1 21 1","P 2yb","4","","Title","","- C51 H52 F6 N2 O4 P Sb -","- C51 H52 F6 N2 O4 P Sb -","- C102 H104 F12 N4 O8 P2 Sb2 -","2","1","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","Mo-Kα","","0.057","0.0407","","","0.0764","0.0816","","","","","","1.054","","","","has coordinates,has disorder","193114","2020-10-21","18:00:00",""
"4125736","34.402","0.008","34.402","0.008","18.748","0.004","90","","90","","120","","19216","8","273","2","273","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C138 H108 N6 O18 -","- C120 H96 N6 O18 -","- C720 H576 N36 O108 -","6","0.333333","","Chen, Wei; Chen, Chi-Lin; Zhang, Zhiyun; Chen, Yi-An; Chao, Wei-Chih; Su, Jianhua; Tian, He; Chou, Pi-Tai","Snapshotting the Excited-State Planarization of Chemically Locked N,N'-Disubstituted Dihydrodibenzo[a,c]phenazines.","Journal of the American Chemical Society","2017","139","4","1636","1644","10.1021/jacs.6b11789","","","0.71073","MoKα","","0.148","0.0713","","","0.1893","0.2245","","","","","","0.953","","","","has coordinates,has disorder","193115","2020-10-21","18:00:00",""
"4125737","32.3784","0.0006","9.7018","0.0002","20.6093","0.0003","90","","93.171","0.0006","90","","6464.1","0.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H33 Cl N2 O2 -","- C42 H32.5 N2 O2 -","- C336 H260 N16 O16 -","8","1","","Chen, Wei; Chen, Chi-Lin; Zhang, Zhiyun; Chen, Yi-An; Chao, Wei-Chih; Su, Jianhua; Tian, He; Chou, Pi-Tai","Snapshotting the Excited-State Planarization of Chemically Locked N,N'-Disubstituted Dihydrodibenzo[a,c]phenazines.","Journal of the American Chemical Society","2017","139","4","1636","1644","10.1021/jacs.6b11789","","","1.54178","CuKα","","0.063","0.0571","","","0.1533","0.1594","","","","","","1.035","","","","has coordinates","193116","2020-10-21","18:00:00",""
"4125738","9.1275","0.0002","12.7976","0.0003","18.3106","0.0004","88.7303","0.0009","77.583","0.0009","74.5428","0.0009","2011.87","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H42 Cl2 N2 O6 -","- C49 H42 Cl2 N2 O6 -","- C98 H84 Cl4 N4 O12 -","2","1","","Chen, Wei; Chen, Chi-Lin; Zhang, Zhiyun; Chen, Yi-An; Chao, Wei-Chih; Su, Jianhua; Tian, He; Chou, Pi-Tai","Snapshotting the Excited-State Planarization of Chemically Locked N,N'-Disubstituted Dihydrodibenzo[a,c]phenazines.","Journal of the American Chemical Society","2017","139","4","1636","1644","10.1021/jacs.6b11789","","","1.54178","CuKα","","0.0951","0.086","","","0.257","0.2691","","","","","","0.982","","","","has coordinates,has disorder","193117","2020-10-21","18:00:00",""
"4125739","9.4122","0.0003","10.5185","0.0003","24.5962","0.0007","97.5528","0.0009","90.645","0.001","102.097","0.001","2358.46","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H58 Cl2 N2 O6 -","- C57 H58 Cl2 N2 O6 -","- C114 H116 Cl4 N4 O12 -","2","1","","Chen, Wei; Chen, Chi-Lin; Zhang, Zhiyun; Chen, Yi-An; Chao, Wei-Chih; Su, Jianhua; Tian, He; Chou, Pi-Tai","Snapshotting the Excited-State Planarization of Chemically Locked N,N'-Disubstituted Dihydrodibenzo[a,c]phenazines.","Journal of the American Chemical Society","2017","139","4","1636","1644","10.1021/jacs.6b11789","","","1.54178","CuKα","","0.0506","0.0459","","","0.1244","0.1286","","","","","","1.019","","","","has coordinates,has disorder","193118","2020-10-21","18:00:00",""
"4125740","9.3923","0.0002","10.7073","0.0002","12.7975","0.0003","90","","90","","90","","1287","0.05","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Kandappa, Sunil Kumar; Sreenithya, A.; Jockusch, Steffen; Sunoj, Raghavan B.; Sivaguru, J.","Transposed Paternò-Büchi Reaction.","Journal of the American Chemical Society","2017","139","2","655","662","10.1021/jacs.6b05936","","","1.54178","CuKα","","0.0305","0.0284","","","0.0714","0.0729","","","","","","1.052","","","","has coordinates","193119","2020-10-21","18:00:00",""
"4125741","9.3935","0.0002","10.7059","0.0003","12.8032","0.0003","90","","90","","90","","1287.56","0.05","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Kandappa, Sunil Kumar; Sreenithya, A.; Jockusch, Steffen; Sunoj, Raghavan B.; Sivaguru, J.","Transposed Paternò-Büchi Reaction.","Journal of the American Chemical Society","2017","139","2","655","662","10.1021/jacs.6b05936","","","1.54178","CuKα","","0.0268","0.0258","","","0.0657","0.0664","","","","","","1.036","","","","has coordinates","193119","2020-10-21","18:00:00",""
"4125742","8.5255","0.0002","12.7647","0.0004","13.2058","0.0004","90","","90","","90","","1437.13","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Kandappa, Sunil Kumar; Sreenithya, A.; Jockusch, Steffen; Sunoj, Raghavan B.; Sivaguru, J.","Transposed Paternò-Büchi Reaction.","Journal of the American Chemical Society","2017","139","2","655","662","10.1021/jacs.6b05936","","","1.54178","CuKα","","0.0292","0.0273","","","0.0684","0.0697","","","","","","1.056","","","","has coordinates","193119","2020-10-21","18:00:00",""
"4125743","8.5245","0.0002","12.7658","0.0004","13.2061","0.0004","90","","90","","90","","1437.12","0.07","100","","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Kandappa, Sunil Kumar; Sreenithya, A.; Jockusch, Steffen; Sunoj, Raghavan B.; Sivaguru, J.","Transposed Paternò-Büchi Reaction.","Journal of the American Chemical Society","2017","139","2","655","662","10.1021/jacs.6b05936","","","1.54178","CuKα","","0.0287","0.0276","","","0.068","0.0689","","","","","","1.071","","","","has coordinates","193119","2020-10-21","18:00:00",""
"4125744","16.3242","0.0003","6.3756","0.0001","28.92","0.002","90","","90","","90","","3009.9","0.2","93","2","93","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","2","","Schuppe, Alexander W.; Newhouse, Timothy R.","Assembly of the Limonoid Architecture by a Divergent Approach: Total Synthesis of (±)-Andirolide N via (±)-8α-Hydroxycarapin.","Journal of the American Chemical Society","2017","139","2","631","634","10.1021/jacs.6b12268","","","1.54187","CuKα","","0.0523","0.0486","","","0.1289","0.1329","","","","","","1.085","","","","has coordinates","193120","2020-10-21","18:00:00",""
"4125745","9.9985","0.0007","8.5859","0.0006","25.1456","0.0018","90","","93.281","0.002","90","","2155.1","0.3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 O5 Si -","- C22 H30 O5 Si -","- C88 H120 O20 Si4 -","4","1","","Schuppe, Alexander W.; Newhouse, Timothy R.","Assembly of the Limonoid Architecture by a Divergent Approach: Total Synthesis of (±)-Andirolide N via (±)-8α-Hydroxycarapin.","Journal of the American Chemical Society","2017","139","2","631","634","10.1021/jacs.6b12268","","","0.71073","MoKα","","0.0675","0.039","","","0.0839","0.0896","","","","","","0.843","","","","has coordinates,has disorder","193121","2020-10-21","18:00:00",""
"4125746","22.34","0.0012","16.695","0.0009","8.3236","0.0004","90","","103.833","0.002","90","","3014.4","0.3","100","2","99.99","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H34 N2 O4 -","- C44 H34 N2 O4 -","- C176 H136 N8 O16 -","4","0.5","","Margulies, Eric A.; Logsdon, Jenna L.; Miller, Claire E.; Ma, Lin; Simonoff, Ethan; Young, Ryan M.; Schatz, George C.; Wasielewski, Michael R.","Direct Observation of a Charge-Transfer State Preceding High-Yield Singlet Fission in Terrylenediimide Thin Films.","Journal of the American Chemical Society","2017","139","2","663","671","10.1021/jacs.6b07721","","","1.54178","CuKα","","0.0472","0.0401","","","0.1106","0.1168","","","","","","1.056","","","","has coordinates","193122","2020-10-21","18:00:00",""
"4125747","36.0857","0.0014","4.8422","0.0002","32.6994","0.0012","90","","111.586","0.002","90","","5313","0.4","100","2","99.98","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","hPhTDIc8","","- C74 H62 N2 O4 -","- C74 H62 N2 O4 -","- C296 H248 N8 O16 -","4","0.5","","Margulies, Eric A.; Logsdon, Jenna L.; Miller, Claire E.; Ma, Lin; Simonoff, Ethan; Young, Ryan M.; Schatz, George C.; Wasielewski, Michael R.","Direct Observation of a Charge-Transfer State Preceding High-Yield Singlet Fission in Terrylenediimide Thin Films.","Journal of the American Chemical Society","2017","139","2","663","671","10.1021/jacs.6b07721","","","1.54178","CuKα","","0.1057","0.0689","","","0.1884","0.2165","","","","","","1.043","","","","has coordinates,has disorder","193123","2020-10-21","18:00:00",""
"4125748","13.4442","0.0016","7.1664","0.0009","24.537","0.003","90","","100.806","0.002","90","","2322.1","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Br N2 -","- C27 H27 Br N2 -","- C108 H108 Br4 N8 -","4","1","","Catalano, Luca; Perez-Estrada, Salvador; Wang, Hsin-Hua; Ayitou, Anoklase J.-L.; Khan, Saeed I.; Terraneo, Giancarlo; Metrangolo, Pierangelo; Brown, Stuart; Garcia-Garibay, Miguel A","Rotational Dynamics of Diazabicyclo[2.2.2]octane in Isomorphous Halogen-Bonded Co-crystals: Entropic and Enthalpic Effects.","Journal of the American Chemical Society","2017","139","2","843","848","10.1021/jacs.6b10780","","","0.71073","MoKα","","0.0608","0.0364","","","0.0974","0.1084","","","","","","1.001","","","","has coordinates,has disorder","193124","2020-10-21","18:00:00",""
"4125749","13.1901","0.0012","7.1685","0.0007","24.018","0.002","90","","101.202","0.0012","90","","2227.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Br N2 -","- C27 H27 Br N2 -","- C108 H108 Br4 N8 -","4","1","","Catalano, Luca; Perez-Estrada, Salvador; Wang, Hsin-Hua; Ayitou, Anoklase J.-L.; Khan, Saeed I.; Terraneo, Giancarlo; Metrangolo, Pierangelo; Brown, Stuart; Garcia-Garibay, Miguel A","Rotational Dynamics of Diazabicyclo[2.2.2]octane in Isomorphous Halogen-Bonded Co-crystals: Entropic and Enthalpic Effects.","Journal of the American Chemical Society","2017","139","2","843","848","10.1021/jacs.6b10780","","","0.71073","MoKα","","0.0338","0.0295","","","0.0791","0.0811","","","","","","1.065","","","","has coordinates","193125","2020-10-21","18:00:00",""
"4125750","13.3106","0.0019","7.0791","0.001","24.375","0.003","90","","100.278","0.002","90","","2259.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 I N2 -","- C27 H27 I N2 -","- C108 H108 I4 N8 -","4","1","","Catalano, Luca; Perez-Estrada, Salvador; Wang, Hsin-Hua; Ayitou, Anoklase J.-L.; Khan, Saeed I.; Terraneo, Giancarlo; Metrangolo, Pierangelo; Brown, Stuart; Garcia-Garibay, Miguel A","Rotational Dynamics of Diazabicyclo[2.2.2]octane in Isomorphous Halogen-Bonded Co-crystals: Entropic and Enthalpic Effects.","Journal of the American Chemical Society","2017","139","2","843","848","10.1021/jacs.6b10780","","","0.71073","MoKα","","0.0624","0.0322","","","0.0557","0.061","","","","","","0.99","","","","has coordinates","193126","2020-10-21","18:00:00",""
"4125751","10.736","0.0003","7.55","0.0003","20.7875","0.0007","90","","93.636","0.003","90","","1681.58","0.1","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N3 O4 -","- C17.992 H19 N3 O4 -","- C71.968 H76 N12 O16 -","4","2","","Shi, Jiarong; Xu, Hai; Qiu, Dachuan; He, Jia; Li, Yang","Selective Aryne Formation via Grob Fragmentation from the [2+2] Cycloadducts of 3-Triflyloxyarynes.","Journal of the American Chemical Society","2017","139","2","623","626","10.1021/jacs.6b12161","","","0.71073","MoKα","","0.0548","0.0448","","","0.0962","0.1045","","","","","","1.066","","","","has coordinates,has disorder","193127","2020-10-21","18:00:00",""
"4125752","6.7872","0.0003","11.6855","0.0005","10.8557","0.0005","90","","102.759","0.002","90","","839.73","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 B N3 O2 -","- C8 H8 B N3 O2 -","- C32 H32 B4 N12 O8 -","4","1","","Bandyopadhyay, Anupam; Cambray, Samantha; Gao, Jianmin","Fast Diazaborine Formation of Semicarbazide Enables Facile Labeling of Bacterial Pathogens.","Journal of the American Chemical Society","2017","139","2","871","878","10.1021/jacs.6b11115","","","1.54178","CuKα","","0.0337","0.0328","","","0.093","0.0943","","","","","","1.047","","","","has coordinates","193128","2020-10-21","18:00:00",""
"4125753","13.1494","0.0007","12.7371","0.0007","31.5681","0.0016","90","","101.788","0.0012","90","","5175.7","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Pd-complx","","- C26 H21 F3 N4 O5 Pd S -","- C26 H21 F3 N4 O5 Pd S -","- C208 H168 F24 N32 O40 Pd8 S8 -","8","2","","Abada, Elikplim; Zavalij, Peter Y.; Vedernikov, Andrei N.","Reductive C(sp(2))-N Elimination from Isolated Pd(IV) Amido Aryl Complexes Prepared Using H2O2 as Oxidant.","Journal of the American Chemical Society","2017","139","2","643","646","10.1021/jacs.6b12648","","","0.71073","MoKα","","0.0465","0.0308","","","0.0638","0.0697","","","","","","1.075","","","","has coordinates,has disorder","193129","2020-10-21","18:00:00",""
"4125754","30.3195","0.0017","11.3339","0.0006","17.6574","0.001","90","","118.758","0.0008","90","","5319.4","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Pd-complex","Pd-complex","","- C28 H29 N3 O6 Pd S -","- C28 H29 N3 O6 Pd S -","- C224 H232 N24 O48 Pd8 S8 -","8","1","","Abada, Elikplim; Zavalij, Peter Y.; Vedernikov, Andrei N.","Reductive C(sp(2))-N Elimination from Isolated Pd(IV) Amido Aryl Complexes Prepared Using H2O2 as Oxidant.","Journal of the American Chemical Society","2017","139","2","643","646","10.1021/jacs.6b12648","","","0.71073","MoKα","","0.0438","0.0336","","","0.0659","0.0685","","","","","","1.387","","","","has coordinates,has disorder","193130","2020-10-21","18:00:00",""
"4125755","11.4454","0.0006","12.0069","0.0006","17.7137","0.0009","90","","97.0875","0.0008","90","","2415.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pd-complex","Pd-complex","","- C26 H20 F3 N3 O3 Pd -","- C26 H20 F3 N3 O3 Pd -","- C104 H80 F12 N12 O12 Pd4 -","4","1","","Abada, Elikplim; Zavalij, Peter Y.; Vedernikov, Andrei N.","Reductive C(sp(2))-N Elimination from Isolated Pd(IV) Amido Aryl Complexes Prepared Using H2O2 as Oxidant.","Journal of the American Chemical Society","2017","139","2","643","646","10.1021/jacs.6b12648","","","0.71073","MoKα","","0.0237","0.0218","","","0.0468","0.0478","","","","","","1.001","","","","has coordinates","193131","2020-10-21","18:00:00",""
"4125756","15.534","0.002","9.1331","0.0013","18.096","0.003","90","","100.943","0.002","90","","2520.7","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Pd-complex","Pd-complex","","- C26 H19 F3 N4 O3 Pd S -","- C26 H19 F3 N4 O3 Pd S -","- C104 H76 F12 N16 O12 Pd4 S4 -","4","1","","Abada, Elikplim; Zavalij, Peter Y.; Vedernikov, Andrei N.","Reductive C(sp(2))-N Elimination from Isolated Pd(IV) Amido Aryl Complexes Prepared Using H2O2 as Oxidant.","Journal of the American Chemical Society","2017","139","2","643","646","10.1021/jacs.6b12648","","","0.71073","MoKα","","0.0246","0.021","","","0.0454","0.0472","","","","","","1","","","","has coordinates","193132","2020-10-21","18:00:00",""
"4125757","10.6068","0.0007","13.466","0.0009","16.6462","0.0011","89.972","0.005","85.8","0.005","67.854","0.005","2195.3","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H57.5 Fe2 N4.5 S5 -","- C42 H57.5 Fe2 N4.5 S5 -","- C84 H115 Fe4 N9 S10 -","2","1","","Bergner, Marie; Dechert, Sebastian; Demeshko, Serhiy; Kupper, Claudia; Mayer, James M.; Meyer, Franc","Model of the MitoNEET [2Fe-2S] Cluster Shows Proton Coupled Electron Transfer.","Journal of the American Chemical Society","2017","139","2","701","707","10.1021/jacs.6b09180","","","0.71073","MoKα","","0.1273","0.0682","","","0.1169","0.134","","","","","","1.035","","","","has coordinates,has disorder","193133","2020-10-21","18:00:00",""
"4125758","10.9808","0.0006","14.8133","0.0008","28.4694","0.0015","90","","97.311","0.001","90","","4593.2","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52.25 H52 N2 O P2 Ru -","- C52.25 H52 N2 O P2 Ru -","- C209 H208 N8 O4 P8 Ru4 -","4","1","","Waldie, Kate M.; Flajslik, Kristen R.; McLoughlin, Elizabeth; Chidsey, Christopher E. D.; Waymouth, Robert M.","Electrocatalytic Alcohol Oxidation with Ruthenium Transfer Hydrogenation Catalysts.","Journal of the American Chemical Society","2017","139","2","738","748","10.1021/jacs.6b09705","","","0.71073","MoKα","","0.0816","0.051","","","0.138","0.1561","","","","","","1.068","","","","has coordinates,has disorder","193134","2020-10-21","18:00:00",""
"4125759","17.6551","0.0008","9.0738","0.0002","21.9618","0.0015","90","","97.617","0.008","90","","3487.2","0.3","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H66 Cl Ni P2 -","- C36 H66 Cl Ni P2 -","- C144 H264 Cl4 Ni4 P8 -","4","0.5","","Mohadjer Beromi, Megan; Nova, Ainara; Balcells, David; Brasacchio, Ann M.; Brudvig, Gary W.; Guard, Louise M.; Hazari, Nilay; Vinyard, David J.","Mechanistic Study of an Improved Ni Precatalyst for Suzuki-Miyaura Reactions of Aryl Sulfamates: Understanding the Role of Ni(I) Species.","Journal of the American Chemical Society","2017","139","2","922","936","10.1021/jacs.6b11412","","","0.71075","MoKα","","0.0281","0.0259","","","0.0642","0.0653","","","","","","1.081","","","","has coordinates","193135","2020-10-21","18:00:00",""
"4125760","9.443","0.0004","14.1318","0.0006","15.9349","0.0011","111.252","0.008","101.106","0.007","96.437","0.007","1905.9","0.2","161","","161","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H44 Br Fe Ni O2 P2 -","- C42 H44 Br Fe Ni O2 P2 -","- C84 H88 Br2 Fe2 Ni2 O4 P4 -","2","1","","Mohadjer Beromi, Megan; Nova, Ainara; Balcells, David; Brasacchio, Ann M.; Brudvig, Gary W.; Guard, Louise M.; Hazari, Nilay; Vinyard, David J.","Mechanistic Study of an Improved Ni Precatalyst for Suzuki-Miyaura Reactions of Aryl Sulfamates: Understanding the Role of Ni(I) Species.","Journal of the American Chemical Society","2017","139","2","922","936","10.1021/jacs.6b11412","","x-ray","0.71075","MoKα","","0.0637","0.0509","","","0.1161","0.1226","","","","","","1.041","","","","has coordinates","193135","2020-10-21","18:00:00",""
"4125761","18.036","0.004","14.73","0.003","39.096","0.008","90","","98.71","0.03","90","","10267","4","113","2","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H100 Cl10 N12 O12 -","- C92 H100 Cl10 N12 O12 -","- C368 H400 Cl40 N48 O48 -","4","1","","Wang, Qi-Qiang; Luo, Na; Wang, Xu-Dong; Ao, Yu-Fei; Chen, Yi-Fan; Liu, Jun-Min; Su, Cheng-Yong; Wang, De-Xian; Wang, Mei-Xiang","Molecular Barrel by a Hooping Strategy: Synthesis, Structure, and Selective CO2 Adsorption Facilitated by Lone Pair-π Interactions.","Journal of the American Chemical Society","2017","139","2","635","638","10.1021/jacs.6b12386","","","0.71073","MoKα","","0.1292","0.1145","","","0.3043","0.3151","","","","","","2.013","","","","has coordinates,has disorder","193136","2020-10-21","18:00:00",""
"4125762","15.087","0.005","17.675","0.005","18.954","0.005","90.351","0.009","101.081","0.006","114.785","0.005","4482","2","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H93 Cl9 N12 O12 -","- C90 H93 Cl9 N12 O12 -","- C180 H186 Cl18 N24 O24 -","2","1","","Wang, Qi-Qiang; Luo, Na; Wang, Xu-Dong; Ao, Yu-Fei; Chen, Yi-Fan; Liu, Jun-Min; Su, Cheng-Yong; Wang, De-Xian; Wang, Mei-Xiang","Molecular Barrel by a Hooping Strategy: Synthesis, Structure, and Selective CO2 Adsorption Facilitated by Lone Pair-π Interactions.","Journal of the American Chemical Society","2017","139","2","635","638","10.1021/jacs.6b12386","","","0.71073","MoKα","","0.1331","0.1113","","","0.2245","0.2374","","","","","","1.198","","","","has coordinates,has disorder","288540","2023-12-24","01:16:02",""
"4125763","20.535","0.009","8.546","0.004","28.449","0.013","90","","90.715","0.006","90","","4992","4","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O Pd -","- C20 H17 N3 O Pd -","- C240 H204 N36 O12 Pd12 -","12","3","","Deb, Arghya; Hazra, Avijit; Peng, Qian; Paton, Robert S.; Maiti, Debabrata","Detailed Mechanistic Studies on Palladium-Catalyzed Selective C-H Olefination with Aliphatic Alkenes: A Significant Influence of Proton Shuttling.","Journal of the American Chemical Society","2017","139","2","763","775","10.1021/jacs.6b10309","","","0.7107","MoKα","","0.1455","0.0867","","","0.2199","0.2783","","","","","","1.227","","","","has coordinates","193138","2020-10-21","18:00:00",""
"4125764","6.817","0.003","8.561","0.004","27.641","0.012","90","","90.536","0.007","90","","1613.1","1.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 F N3 O Pd -","- C19 H14 F N3 O Pd -","- C76 H56 F4 N12 O4 Pd4 -","4","1","","Deb, Arghya; Hazra, Avijit; Peng, Qian; Paton, Robert S.; Maiti, Debabrata","Detailed Mechanistic Studies on Palladium-Catalyzed Selective C-H Olefination with Aliphatic Alkenes: A Significant Influence of Proton Shuttling.","Journal of the American Chemical Society","2017","139","2","763","775","10.1021/jacs.6b10309","","","0.71075","MoKα","","0.0651","0.0445","","","0.102","0.1202","","","","","","1.161","","","","has coordinates","193139","2020-10-21","18:00:00",""
"4125765","8.6326","0.0019","6.7718","0.0014","26.898","0.006","90","","96.149","0.004","90","","1563.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O Pd -","- C19 H15 N3 O Pd -","- C76 H60 N12 O4 Pd4 -","4","1","","Deb, Arghya; Hazra, Avijit; Peng, Qian; Paton, Robert S.; Maiti, Debabrata","Detailed Mechanistic Studies on Palladium-Catalyzed Selective C-H Olefination with Aliphatic Alkenes: A Significant Influence of Proton Shuttling.","Journal of the American Chemical Society","2017","139","2","763","775","10.1021/jacs.6b10309","","","0.71075","MoKα","","0.0403","0.035","","","0.1087","0.1157","","","","","","0.873","","","","has coordinates","193140","2020-10-21","18:00:00",""
"4125766","6.6497","0.0008","13.959","0.002","16.001","0.002","90","","97.167","0.012","90","","1473.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N3 O Pd -","- C18 H13 N3 O Pd -","- C72 H52 N12 O4 Pd4 -","4","1","","Deb, Arghya; Hazra, Avijit; Peng, Qian; Paton, Robert S.; Maiti, Debabrata","Detailed Mechanistic Studies on Palladium-Catalyzed Selective C-H Olefination with Aliphatic Alkenes: A Significant Influence of Proton Shuttling.","Journal of the American Chemical Society","2017","139","2","763","775","10.1021/jacs.6b10309","","x-ray","1.54184","CuKα","","0.1825","0.1212","","","0.2936","0.3805","","","","","","1.181","","","","has coordinates","193141","2020-10-21","18:00:00",""
"4125767","7.411","0.004","9.27","0.005","33.243","0.017","90","","94.575","0.007","90","","2277","2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H46 D2 N4 O2 -","- C62 H46 D2 N4 O2 -","- C124 H92 D4 N8 O4 -","2","0.5","","Deb, Arghya; Hazra, Avijit; Peng, Qian; Paton, Robert S.; Maiti, Debabrata","Detailed Mechanistic Studies on Palladium-Catalyzed Selective C-H Olefination with Aliphatic Alkenes: A Significant Influence of Proton Shuttling.","Journal of the American Chemical Society","2017","139","2","763","775","10.1021/jacs.6b10309","","","0.7107","MoKα","","0.0845","0.0706","","","0.146","0.1537","","","","","","1.185","","","","has coordinates","193142","2020-10-21","18:00:00",""
"4125768","7.4156","0.0006","18.973","0.002","20.2647","0.0013","90","","90","","90","","2851.2","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N2 O3 S -","- C14 H20 N2 O3 S -","- C112 H160 N16 O24 S8 -","8","1","","Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J","Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.","Journal of the American Chemical Society","2017","139","6","2216","2223","10.1021/jacs.6b08219","","","0.7107","MoKα","","0.048","0.0404","","","0.1009","0.1056","","","","","","1.067","","","","has coordinates","193143","2020-10-21","18:00:00",""
"4125769","8.2085","0.0005","23.7502","0.0015","7.368","0.0004","90","","112.863","0.001","90","","1323.57","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N2 O2 S -","- C12 H18 N2 O2 S -","- C48 H72 N8 O8 S4 -","4","1","","Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J","Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.","Journal of the American Chemical Society","2017","139","6","2216","2223","10.1021/jacs.6b08219","","","0.71073","MoKα","","0.0843","0.0779","","","0.1507","0.2083","","","","","","1.077","","","","has coordinates","193144","2020-10-21","18:00:00",""
"4125770","7.3139","0.0006","11.178","0.001","12.6984","0.001","76.605","0.005","86.384","0.007","85.863","0.008","1006.13","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H50 Cl2 N4 O6 S2 -","- C41 H50 Cl2 N4 O6 S2 -","- C41 H50 Cl2 N4 O6 S2 -","1","0.5","","Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J","Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.","Journal of the American Chemical Society","2017","139","6","2216","2223","10.1021/jacs.6b08219","","","0.71073","MoKα","","0.0394","0.0343","","","0.0891","0.0919","","","","","","1.033","","","","has coordinates,has disorder","193145","2020-10-21","18:00:00",""
"4125771","7.3081","0.0004","8.147","0.0004","14.0115","0.0009","98.749","0.002","96.772","0.001","112.872","0.002","745.2","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N2 O2 S -","- C14 H20 N2 O2 S -","- C28 H40 N4 O4 S2 -","2","1","","Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J","Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.","Journal of the American Chemical Society","2017","139","6","2216","2223","10.1021/jacs.6b08219","","","0.71073","MoKα","","0.0361","0.0323","","","0.0855","0.0873","","","","","","1.056","","","","has coordinates","193146","2020-10-21","18:00:00",""
"4125772","15.283","0.0006","17.2358","0.0005","21.6574","0.0007","81.538","0.002","81.795","0.003","72.385","0.003","5348.9","0.3","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C150 H110 B6 F24 N26 O6 Pd3 -","- C150 H110 B6 F24 N26 O6 Pd3 -","- C150 H110 B6 F24 N26 O6 Pd3 -","1","0.5","","Preston, Dan; Lewis, James E. M.; Crowley, James D.","Multicavity [PdnL4](2n+) Cages with Controlled Segregated Binding of Different Guests.","Journal of the American Chemical Society","2017","139","6","2379","2386","10.1021/jacs.6b11982","","","1.5418","CuKα","","0.1206","0.0974","","","0.251","0.2651","","","","","","1.415","","","","has coordinates","193147","2020-10-21","18:00:00",""
"4125773","20.0327","0.0003","20.7974","0.0005","27.9988","0.0005","90","","90","","90","","11665.1","0.4","100","0.11","100","0.11","","","","","","","","7","F m m m","-F 2 2","69","","","","- C76 H44 B F4 N12 O2 Pd2 -","- C76 H44 B F4 N12 O2 Pd2 -","- C304 H176 B4 F16 N48 O8 Pd8 -","4","0.125","","Preston, Dan; Lewis, James E. M.; Crowley, James D.","Multicavity [PdnL4](2n+) Cages with Controlled Segregated Binding of Different Guests.","Journal of the American Chemical Society","2017","139","6","2379","2386","10.1021/jacs.6b11982","","","1.54184","CuKα","","0.0647","0.0627","","","0.2053","0.2105","","","","","","0.996","","","","has coordinates","193147","2020-10-21","18:00:00",""
"4125774","15.4305","0.0011","11.1187","0.0008","12.8932","0.0009","90","","116.126","0.004","90","","1986","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Fe O6 -","- C18 H30 Fe O6 -","- C72 H120 Fe4 O24 -","4","0.5","","Lo, Julian C.; Kim, Dongyoung; Pan, Chung-Mao; Edwards, Jacob T.; Yabe, Yuki; Gui, Jinghan; Qin, Tian; Gutiérrez, Sara; Giacoboni, Jessica; Smith, Myles W.; Holland, Patrick L.; Baran, Phil S.","Fe-Catalyzed C-C Bond Construction from Olefins via Radicals.","Journal of the American Chemical Society","2017","139","6","2484","2503","10.1021/jacs.6b13155","","","0.71073","MoKα","","0.048","0.033","","","0.0866","0.095","","","","","","1.006","","","","has coordinates,has disorder","193148","2020-10-21","18:00:00",""
"4125775","5.2765","0.0005","8.7572","0.0007","9.3297","0.0008","75.803","0.007","82.097","0.007","76.752","0.007","405.3","0.06","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H26 Fe O6 -","- C14 H26 Fe O6 -","- C14 H26 Fe O6 -","1","0.5","","Lo, Julian C.; Kim, Dongyoung; Pan, Chung-Mao; Edwards, Jacob T.; Yabe, Yuki; Gui, Jinghan; Qin, Tian; Gutiérrez, Sara; Giacoboni, Jessica; Smith, Myles W.; Holland, Patrick L.; Baran, Phil S.","Fe-Catalyzed C-C Bond Construction from Olefins via Radicals.","Journal of the American Chemical Society","2017","139","6","2484","2503","10.1021/jacs.6b13155","","","0.71073","MoKα","","0.0312","0.0286","","","0.063","0.0643","","","","","","1.101","","","","has coordinates","193149","2020-10-21","18:00:00",""
"4125776","11.3761","0.0002","18.9915","0.0005","14.7639","0.0004","90","","105.013","0.0014","90","","3080.85","0.13","175","","175","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H45 Fe O6 -","- C27 H45 Fe O6 -","- C108 H180 Fe4 O24 -","4","1","","Lo, Julian C.; Kim, Dongyoung; Pan, Chung-Mao; Edwards, Jacob T.; Yabe, Yuki; Gui, Jinghan; Qin, Tian; Gutiérrez, Sara; Giacoboni, Jessica; Smith, Myles W.; Holland, Patrick L.; Baran, Phil S.","Fe-Catalyzed C-C Bond Construction from Olefins via Radicals.","Journal of the American Chemical Society","2017","139","6","2484","2503","10.1021/jacs.6b13155","","x-ray","0.71073","MoKα","","0.1076","0.0579","","","0.1332","0.1599","","","","","","1.053","","","","has coordinates","193150","2020-10-21","18:00:00",""
"4125777","21.628","0.004","5.032","0.001","29.519","0.006","90","","104.322","0.002","90","","3112.8","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Br Cl N2 O3 -","- C13 H16 Br Cl N2 O3 -","- C104 H128 Br8 Cl8 N16 O24 -","8","1","","Soltanzadeh, Bardia; Jaganathan, Arvind; Yi, Yi; Yi, Hajoon; Staples, Richard J.; Borhan, Babak","Highly Regio- and Enantioselective Vicinal Dihalogenation of Allyl Amides.","Journal of the American Chemical Society","2017","139","6","2132","2135","10.1021/jacs.6b09203","","","0.71073","MoKα","","0.1253","0.0792","","","0.2131","0.2359","","","","","","1.107","","","","has coordinates","193151","2020-10-21","18:00:00",""
"4125778","21.5878","0.0015","5.0337","0.0003","14.653","0.0009","90","","104.612","0.005","90","","1540.79","0.17","173","2","173","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H16 Cl2 N2 O3 -","- C13 H16 Cl2 N2 O3 -","- C52 H64 Cl8 N8 O12 -","4","1","","Soltanzadeh, Bardia; Jaganathan, Arvind; Yi, Yi; Yi, Hajoon; Staples, Richard J.; Borhan, Babak","Highly Regio- and Enantioselective Vicinal Dihalogenation of Allyl Amides.","Journal of the American Chemical Society","2017","139","6","2132","2135","10.1021/jacs.6b09203","","","1.54178","CuKα","","0.0673","0.039","","","0.0854","0.1043","","","","","","1.093","","","","has coordinates","193152","2020-10-21","18:00:00",""
"4125779","7.25525","0.00005","19.25052","0.00014","7.53413","0.00005","90","","95.0908","0.0006","90","","1048.12","0.013","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H18 N2 O6 -","- C24 H18 N2 O6 -","- C48 H36 N4 O12 -","2","1","","Raut, Vivek S.; Jean, Marion; Vanthuyne, Nicolas; Roussel, Christian; Constantieux, Thierry; Bressy, Cyril; Bugaut, Xavier; Bonne, Damien; Rodriguez, Jean","Enantioselective Syntheses of Furan Atropisomers by an Oxidative Central-to-Axial Chirality Conversion Strategy.","Journal of the American Chemical Society","2017","139","6","2140","2143","10.1021/jacs.6b11079","","x-ray","1.54184","CuKα","","0.0376","0.0375","","","0.0906","0.0908","","","","","","1.102","","","","has coordinates","193153","2020-10-21","18:00:00",""
"4125780","9.55555","0.00016","7.80421","0.0001","25.874","0.0004","90","","90.4089","0.0015","90","","1929.47","0.05","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 F O3 -","- C23 H31 F O3 -","- C92 H124 F4 O12 -","4","2","","Pitts, Cody Ross; Bume, Desta Doro; Harry, Stefan Andrew; Siegler, Maxime A.; Lectka, Thomas","Multiple Enone-Directed Reactivity Modes Lead to the Selective Photochemical Fluorination of Polycyclic Terpenoid Derivatives.","Journal of the American Chemical Society","2017","139","6","2208","2211","10.1021/jacs.7b00335","","","1.54178","CuKα","","0.0387","0.0384","","","0.0998","0.1002","","","","","","1.038","","","","has coordinates,has disorder","193154","2020-10-21","18:00:00",""
"4125781","6.3278","0.0015","7.8999","0.0019","15.744","0.004","90","","90","","90","","787","0.3","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C6 N2 O2 S4 -","- C6 N2 O2 S4 -","- C24 N8 O8 S16 -","4","0.5","","Mailman, Aaron; Leitch, Alicea A.; Yong, Wenjun; Steven, Eden; Winter, Stephen M.; Claridge, Robert C. M.; Assoud, Abdeljalil; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Oakley, Richard T.","The Power of Packing: Metallization of an Organic Semiconductor.","Journal of the American Chemical Society","2017","139","6","2180","2183","10.1021/jacs.6b12814","","","0.71073","MoKα","","0.0368","0.033","","","0.0758","0.0952","","","","","","1.181","","","","has coordinates","193155","2020-10-21","18:00:00",""
"4125782","13.1616","0.0008","16.236","0.001","6.2846","0.0004","90","","95.715","0.001","90","","1336.29","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H F3 N2 O5 S5 -","- C7 H F3 N2 O5 S5 -","- C28 H4 F12 N8 O20 S20 -","4","1","","Mailman, Aaron; Leitch, Alicea A.; Yong, Wenjun; Steven, Eden; Winter, Stephen M.; Claridge, Robert C. M.; Assoud, Abdeljalil; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Oakley, Richard T.","The Power of Packing: Metallization of an Organic Semiconductor.","Journal of the American Chemical Society","2017","139","6","2180","2183","10.1021/jacs.6b12814","","","0.71073","MoKα","","0.0386","0.0304","","","0.0688","0.0755","","","","","","1.045","","","","has coordinates","193156","2020-10-21","18:00:00",""
"4125783","8.7071","0.0009","18.0486","0.0019","23.181","0.003","90","","97.786","0.002","90","","3609.3","0.7","100","2","100","2","","","","","","","see paper","5","P 1 21/n 1","-P 2yn","14","","Pentamethyl-hapto-5-cyclopentadienyl-chloro-1-hydroxycyclohexyl-prop-2-ynyl-ruthenium(ii)","","- C19 H29 Cl O Ru -","- C19 H29 Cl O Ru -","- C152 H232 Cl8 O8 Ru8 -","8","2","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","Mo-Kα","","0.0961","0.0469","","","0.0877","0.1028","","","","","","1.019","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125784","14.0577","0.0008","8.4937","0.0003","15.6148","0.0007","90","","106.404","0.003","90","","1788.54","0.15","100","2","100","2","","","","","","","diethylether","6","P 1 21/c 1","-P 2ybc","14","","Pentamethyl-hapto-5-cyclopentadienyl-chloro-1-hydroxy-1,1-di(trifluoromethyl)- but-2-ynyl-ruthenium(ii)","","- C16 H19 Cl F6 O Ru -","- C16 H19 Cl F6 O Ru -","- C64 H76 Cl4 F24 O4 Ru4 -","4","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","MoKα","","0.0232","0.0213","","","0.0559","0.0577","","","","","","1.079","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125785","17.577","0.002","8.656","0.0012","32.749","0.004","90","","90","","90","","4982.6","1.1","100","2","100","2","","","","","","","dichloromethane,pentane","7","P b c a","-P 2ac 2ab","61","","1N-(1-prop-2-ynyl-cyclohexyl)-4-methyl-benzenesulfonamide","","- C26 H36 Cl N O2 Ru S -","- C26 H36 Cl N O2 Ru S -","- C208 H288 Cl8 N8 O16 Ru8 S8 -","8","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","Mo-Kα","","0.0294","0.0259","","","0.0551","0.0563","","","","","","1.197","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125786","8.3798","0.0003","15.161","0.002","13.0046","0.0009","90","","99.954","0.006","90","","1627.3","0.3","100","2","100","2","","","","","","","pentane","5","P 1 21/n 1","-P 2yn","14","","pentamethylcyclopentadienyl-chloro-2-hydroxy-3-hexyne-ruthenium(ii)","","- C16 H25 Cl O Ru -","- C16 H25 Cl O Ru -","- C64 H100 Cl4 O4 Ru4 -","4","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","MoKα","","0.0639","0.0393","","","0.0745","0.0831","","","","","","1.042","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125787","8.4796","0.0004","9.6569","0.0003","11.3596","0.0007","103.839","0.004","95.099","0.005","111.774","0.003","822.33","0.08","100","2","100","2","","","","","","","pentane","5","P -1","-P 1","2","","pentamethylcyclopentadienyl-chloro-2-hydroxy-3-hexyne-ruthenium(ii)","","- C16 H25 Cl O Ru -","- C16 H25 Cl O Ru -","- C32 H50 Cl2 O2 Ru2 -","2","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","MoKα","","0.0512","0.0401","","","0.0969","0.1047","","","","","","1.049","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125788","11.375","0.008","21.717","0.015","19.94","0.014","90","","94.351","0.014","90","","4912","6","100","2","100","2","","","","","","","pentane","4","P 1 21/n 1","-P 2yn","14","","tetrakis(pentamethylcyclopentadienyl-ruthenium-chloride) 4,4-dimethyl-2-pentyne","","- C47 H72 Cl4 Ru4 -","- C47 H72 Cl4 Ru4 -","- C188 H288 Cl16 Ru16 -","4","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","Mo-Kα","","0.0459","0.0308","","","0.0889","0.1006","","","","","","0.912","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125789","15.146","0.008","8.397","0.005","17.685","0.01","90","","95.953","0.01","90","","2237","2","100","2","100","2","","","","","","","pentane","7","P 1 21/c 1","-P 2ybc","14","","pentamethylcyclopentadienyl-chloro-trimethylphosphine-1,1,1- trifluoro-2-hydroxy-2(trifluoromethyl)-3-pentyne-ruthenium(ii)","","- C19 H28 Cl F6 O P Ru -","- C19 H28 Cl F6 O P Ru -","- C76 H112 Cl4 F24 O4 P4 Ru4 -","4","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","Mo-Kα","","0.042","0.0355","","","0.0827","0.0856","","","","","","1.144","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125790","8.7929","0.0013","12.2158","0.0018","20.666","0.003","90","","99.091","0.002","90","","2191.9","0.6","100","2","100","2","","","","","","","pentane","7","P 1 21/n 1","-P 2yn","14","","pentamethylcyclopentadienyl-chloro-pyridyl-1,1,1- trifluoro-2-hydroxy-2(trifluoromethyl)-3-pentyne-ruthenium(ii)","","- C21 H24 Cl F6 N O Ru -","- C21 H24 Cl F6 N O Ru -","- C84 H96 Cl4 F24 N4 O4 Ru4 -","4","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","Mo-Kα","","0.0309","0.0221","","","0.0507","0.0538","","","","","","1.023","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125791","11.464","0.0004","13.5176","0.0005","17.7065","0.0006","79.166","0.002","83.578","0.002","66.499","0.002","2469.38","0.16","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C47 H64 Ce F6 Li N7 O3 -","- C47 H64 Ce F6 Li N7 O3 -","- C94 H128 Ce2 F12 Li2 N14 O6 -","2","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0566","0.041","","","0.0927","0.1002","","","","","","1.053","","","","has coordinates","193158","2020-10-21","18:00:00",""
"4125792","19.7839","0.0005","19.5288","0.0004","25.0902","0.0005","90","","90","","90","","9693.7","0.4","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C49 H66 Ce F6 Li N5 O5 -","- C49 H66 Ce F6 Li N5 O5 -","- C392 H528 Ce8 F48 Li8 N40 O40 -","8","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0805","0.0515","","","0.1174","0.1314","","","","","","1.046","","","","has coordinates","193158","2020-10-21","18:00:00",""
"4125793","11.0902","0.0011","28.429","0.003","16.8064","0.0017","90","","93.708","0.005","90","","5287.7","0.9","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H68 Ce F6 N5 O7 Rb -","- C49 H68 Ce F6 N5 O7 Rb -","- C196 H272 Ce4 F24 N20 O28 Rb4 -","4","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0289","0.0252","","","0.0595","0.0612","","","","","","1.045","","","","has coordinates","193158","2020-10-21","18:00:00",""
"4125794","11.1543","0.001","28.543","0.002","16.8906","0.0014","90","","93.714","0.004","90","","5366.3","0.8","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H68 Ce Cs F6 N5 O7 -","- C49 H68 Ce Cs F6 N5 O7 -","- C196 H272 Ce4 Cs4 F24 N20 O28 -","4","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0454","0.0301","","","0.0623","0.0676","","","","","","1.011","","","","has coordinates","193158","2020-10-21","18:00:00",""
"4125795","11.767","0.0005","11.964","0.0006","25.5445","0.0012","95.034","0.002","95.122","0.002","117.863","0.001","3132.1","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H84 Ce Cs F6 N7 O9 -","- C59 H84 Ce Cs F6 N7 O9 -","- C118 H168 Ce2 Cs2 F12 N14 O18 -","2","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0501","0.0426","","","0.1086","0.1154","","","","","","1.072","","","","has coordinates","193158","2020-10-21","18:00:00",""
"4125796","12.1955","0.0006","19.2723","0.0009","19.6671","0.0009","61.128","0.002","72.629","0.003","74.641","0.003","3822.8","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H54 Ce N4 O4 Si -","- C36 H54 Ce N4 O4 Si -","- C144 H216 Ce4 N16 O16 Si4 -","4","2","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.1201","0.0695","","","0.1546","0.1872","","","","","","1.058","","","","has coordinates,has disorder","193158","2020-10-21","18:00:00",""
"4125797","18.8613","0.0006","19.5186","0.0007","25.8496","0.0008","75.561","0.002","71.443","0.002","70.556","0.002","8396.9","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C164 H244 Ce4 N16 O24 Rb4 -","- C164 H244 Ce4 N16 O24 Rb4 -","- C328 H488 Ce8 N32 O48 Rb8 -","2","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0658","0.0407","","","0.0949","0.1094","","","","","","1.05","","","","has coordinates","193158","2020-10-21","18:00:00",""
"4125798","13.4015","0.0003","16.3553","0.0004","8.0023","0.0002","90","","104.143","0.001","90","","1700.82","0.07","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 F6 N -","- C21 H13 F6 N -","- C84 H52 F24 N4 -","4","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0456","0.0337","","","0.0833","0.0901","","","","","","1.023","","","","has coordinates,has disorder","193158","2020-10-21","18:00:00",""
"4125799","16.166","0.0006","13.71","0.0005","19.9425","0.0007","90","","92.391","0.002","90","","4416.1","0.3","110.15","","110.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H84 Cl2 Ni P2 -","- C42 H84 Cl2 Ni P2 -","- C168 H336 Cl8 Ni4 P8 -","4","1","","Kharel, Sugam; Joshi, Hemant; Bierschenk, Stephen; Stollenz, Michael; Taher, Deeb; Bhuvanesh, Nattamai; Gladysz, John A.","Homeomorphic Isomerization as a Design Element in Container Molecules; Binding, Displacement, and Selective Transport of MCl2 Species (M = Pt, Pd, Ni).","Journal of the American Chemical Society","2017","139","6","2172","2175","10.1021/jacs.6b12788","","","1.54178","CuKα","","0.0694","0.0564","","","0.1318","0.138","","","","","","1.041","","","","has coordinates","193159","2020-10-21","18:00:00",""
"4125800","6.2867","0.0002","11.639","0.0004","14.1583","0.0005","89.836","0.003","81.364","0.003","83.017","0.003","1016.51","0.06","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H36 O -","- C23 H36 O -","- C46 H72 O2 -","2","1","","Akhtar, Wasim M.; Cheong, Choon Boon; Frost, James R.; Christensen, Kirsten E.; Stevenson, Neil G.; Donohoe, Timothy J.","Hydrogen Borrowing Catalysis with Secondary Alcohols: A New Route for the Generation of β-Branched Carbonyl Compounds.","Journal of the American Chemical Society","2017","139","7","2577","2580","10.1021/jacs.6b12840","","","1.5418","CuKα","","0.0546","0.0537","","0.162","0.1616","0.162","","","","","","1.06","","","","has coordinates","193161","2020-10-21","18:00:00",""
"4125801","8.878","0.0001","10.7076","0.0001","19.1836","0.0002","90","","100.818","0.0007","90","","1791.22","0.03","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 F3 O -","- C20 H27 F3 O -","- C80 H108 F12 O4 -","4","1","","Akhtar, Wasim M.; Cheong, Choon Boon; Frost, James R.; Christensen, Kirsten E.; Stevenson, Neil G.; Donohoe, Timothy J.","Hydrogen Borrowing Catalysis with Secondary Alcohols: A New Route for the Generation of β-Branched Carbonyl Compounds.","Journal of the American Chemical Society","2017","139","7","2577","2580","10.1021/jacs.6b12840","","","1.5418","CuKα","","0.0404","0.0402","","0.1101","0.1098","0.1101","","","","","","1.001","","","","has coordinates","193161","2020-10-21","18:00:00",""
"4125802","15.6288","0.0003","6.0197","0.0001","23.2786","0.0004","90","","105.14","0.0008","90","","2114.05","0.07","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 O2 -","- C26 H34 O2 -","- C104 H136 O8 -","4","1","","Akhtar, Wasim M.; Cheong, Choon Boon; Frost, James R.; Christensen, Kirsten E.; Stevenson, Neil G.; Donohoe, Timothy J.","Hydrogen Borrowing Catalysis with Secondary Alcohols: A New Route for the Generation of β-Branched Carbonyl Compounds.","Journal of the American Chemical Society","2017","139","7","2577","2580","10.1021/jacs.6b12840","","","0.71073","MoKα","","0.0622","0.0452","","0.1193","0.1067","0.1193","","","","","","1.0107","","","","has coordinates","193161","2020-10-21","18:00:00",""
"4125803","8.7086","0.0004","9.1288","0.0004","24.7749","0.0006","84.564","0.003","84.328","0.003","81.969","0.003","1934.16","0.13","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H34 O -","- C23 H34 O -","- C92 H136 O4 -","4","2","","Akhtar, Wasim M.; Cheong, Choon Boon; Frost, James R.; Christensen, Kirsten E.; Stevenson, Neil G.; Donohoe, Timothy J.","Hydrogen Borrowing Catalysis with Secondary Alcohols: A New Route for the Generation of β-Branched Carbonyl Compounds.","Journal of the American Chemical Society","2017","139","7","2577","2580","10.1021/jacs.6b12840","","","1.54184","CuKα","","0.059","0.0533","","0.1697","0.1556","0.1694","","","","","","0.9927","","","","has coordinates","193161","2020-10-21","18:00:00",""
"4125804","17.8727","0.0002","18.7412","0.0002","19.8363","0.0002","66.321","0.001","67.01","0.001","69.406","0.001","5449.88","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C56.67 H84 F12 N27.33 O15 P2 -","- C56.6667 H82 F12 N27.3333 O15.0001 P2 -","- C170 H246 F36 N82 O45.0004 P6 -","3","1.5","","Fiala, Tomas; Ludvíková, Lucie; Heger, Dominik; Švec, Jan; Slanina, Tomáš; Vetráková, L'ubica; Babiak, Michal; Nečas, Marek; Kulhánek, Petr; Klán, Petr; Sindelar, Vladimir","Bambusuril as a One-Electron Donor for Photoinduced Electron Transfer to Methyl Viologen in Mixed Crystals.","Journal of the American Chemical Society","2017","139","7","2597","2603","10.1021/jacs.6b08589","","","0.71073","MoKα","","0.0638","0.0617","","","0.1767","0.1792","","","","","","1.027","","","","has coordinates,has disorder","193162","2020-10-21","18:00:00",""
"4125805","11.9917","0.0003","15.268","0.0005","21.2185","0.0005","95.821","0.002","91","0.002","107.853","0.003","3673.9","0.19","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H83 B F4 N25 O16 -","- C52 H83 B F4 N25 O16 -","- C104 H166 B2 F8 N50 O32 -","2","1","","Fiala, Tomas; Ludvíková, Lucie; Heger, Dominik; Švec, Jan; Slanina, Tomáš; Vetráková, L'ubica; Babiak, Michal; Nečas, Marek; Kulhánek, Petr; Klán, Petr; Sindelar, Vladimir","Bambusuril as a One-Electron Donor for Photoinduced Electron Transfer to Methyl Viologen in Mixed Crystals.","Journal of the American Chemical Society","2017","139","7","2597","2603","10.1021/jacs.6b08589","","","0.71073","MoKα","","0.0688","0.0623","","","0.1791","0.1853","","","","","","1.027","","","","has coordinates,has disorder","193163","2020-10-21","18:00:00",""
"4125806","11.142","0.002","36.046","0.007","36.238","0.007","90","","90.06","0.03","90","","14554","5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C22 H36 Fe O3 P2 -","- C22 H36 Fe O3 P2 -","- C528 H864 Fe24 O72 P48 -","24","12","","Dauth, Alexander; Gellrich, Urs; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","The Ferraquinone-Ferrahydroquinone Couple: Combining Quinonic and Metal-Based Reactivity.","Journal of the American Chemical Society","2017","139","7","2799","2807","10.1021/jacs.6b13050","","","0.8","","","0.0991","0.0933","","","0.2589","0.2746","","","","","","1.132","","","","has coordinates,has disorder","193164","2020-10-21","18:00:00",""
"4125807","11.1787","0.0005","10.1691","0.0004","13.5949","0.0006","90","","112.182","0.002","90","","1431.05","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H43 Cl Fe O4 P2 -","- C26 H43 Cl Fe O4 P2 -","- C52 H86 Cl2 Fe2 O8 P4 -","2","1","","Dauth, Alexander; Gellrich, Urs; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","The Ferraquinone-Ferrahydroquinone Couple: Combining Quinonic and Metal-Based Reactivity.","Journal of the American Chemical Society","2017","139","7","2799","2807","10.1021/jacs.6b13050","","","0.71073","MoKα","","0.0451","0.0436","","","0.1117","0.1125","","","","","","1.077","","","","has coordinates,has disorder","193164","2020-10-21","18:00:00",""
"4125808","9.5234","0.0003","11.7435","0.0003","12.329","0.0004","82.598","0.002","82.607","0.002","69.849","0.001","1278.39","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H33 Br3 Fe O3 P2 -","- C22 H33 Br3 Fe O3 P2 -","- C44 H66 Br6 Fe2 O6 P4 -","2","1","","Dauth, Alexander; Gellrich, Urs; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","The Ferraquinone-Ferrahydroquinone Couple: Combining Quinonic and Metal-Based Reactivity.","Journal of the American Chemical Society","2017","139","7","2799","2807","10.1021/jacs.6b13050","","","0.71073","MoKα","","0.0545","0.0406","","","0.0832","0.0883","","","","","","1.068","","","","has coordinates,has disorder","193164","2020-10-21","18:00:00",""
"4125809","14.8666","0.0016","12.0744","0.0013","16.2967","0.0018","90","","117.105","0.005","90","","2604.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H76 Fe2 O8 P4 -","- C51 H76 Fe2 O8 P4 -","- C102 H152 Fe4 O16 P8 -","2","0.5","","Dauth, Alexander; Gellrich, Urs; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","The Ferraquinone-Ferrahydroquinone Couple: Combining Quinonic and Metal-Based Reactivity.","Journal of the American Chemical Society","2017","139","7","2799","2807","10.1021/jacs.6b13050","","","0.71073","MoKα","","0.0381","0.0306","","","0.0753","0.0802","","","","","","1.028","","","","has coordinates,has disorder","193164","2020-10-21","18:00:00",""
"4125810","8.3823","0.0003","26.3852","0.0007","8.9783","0.0003","90","","116.224","0.005","90","","1781.34","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 B F6 N2 O2 -","- C16 H11 B F6 N2 O2 -","- C64 H44 B4 F24 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","1.54184","CuKα","","0.0614","0.0506","","","0.1361","0.1526","","","","","","1.128","","","","has coordinates,has disorder","193165","2020-10-21","18:00:00",""
"4125811","7.4226","0.001","25.677","0.004","10.9888","0.0016","90","","109.143","0.016","90","","1978.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 B2 Cl4 N4 O4 -","- C40 H34 B2 Cl4 N4 O4 -","- C80 H68 B4 Cl8 N8 O8 -","2","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.1088","0.074","","","0.1756","0.1997","","","","","","1.048","","","","has coordinates,has disorder","193166","2020-10-21","18:00:00",""
"4125812","14.9982","0.0006","10.8389","0.0003","13.0251","0.0005","90","","93.653","0.003","90","","2113.11","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 B2 N4 O4 S -","- C20 H18 B2 N4 O4 S -","- C80 H72 B8 N16 O16 S4 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0573","0.0429","","","0.1007","0.11","","","","","","1.059","","","","has coordinates","193167","2020-10-21","18:00:00",""
"4125813","14.6436","0.0013","3.921","0.0003","28.941","0.003","90","","104.749","0.009","90","","1607","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 B F3 N2 O2 -","- C18 H12 B F3 N2 O2 -","- C72 H48 B4 F12 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.1124","0.0877","","","0.2067","0.2258","","","","","","1.151","","","","has coordinates","193168","2020-10-21","18:00:00",""
"4125814","6.797","0.0003","9.802","0.0005","10.6491","0.0006","113.714","0.005","93.663","0.004","96.856","0.004","640.03","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 B2 Br0.8 Cl1.2 N4 O4 -","- C26 H20 B2 Br0.8 Cl1.2 N4 O4 -","- C26 H20 B2 Br0.8 Cl1.2 N4 O4 -","1","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0405","0.0319","","","0.0857","0.0897","","","","","","1.098","","","","has coordinates,has disorder","193169","2020-10-21","18:00:00",""
"4125815","13.5305","0.0011","14.1551","0.0011","8.1397","0.0006","90","","95.118","0.007","90","","1552.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 B Br2 N2 O2 -","- C14 H11 B Br2 N2 O2 -","- C56 H44 B4 Br8 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0729","0.0396","","","0.0773","0.0914","","","","","","1.038","","","","has coordinates","193170","2020-10-21","18:00:00",""
"4125816","10.1517","0.0006","11.1294","0.0008","11.391","0.0007","80.742","0.006","86.043","0.005","80.122","0.006","1250.25","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H48 B6 N8 O12 -","- C50 H48 B6 N8 O12 -","- C50 H48 B6 N8 O12 -","1","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0553","0.0418","","","0.108","0.1184","","","","","","0.956","","","","has coordinates","193171","2020-10-21","18:00:00",""
"4125817","7.269","0.0005","23.218","0.0018","9.897","0.0008","90","","97.038","0.007","90","","1657.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 B F2 N2 O2 -","- C18 H13 B F2 N2 O2 -","- C72 H52 B4 F8 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","x-ray","1.54184","CuKα","","0.0814","0.0545","","","0.1368","0.1514","","","","","","1.047","","","","has coordinates","193172","2020-10-21","18:00:00",""
"4125818","7.4105","0.0009","20.0298","0.0015","9.3908","0.0012","90","","109.863","0.014","90","","1311","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 B2 N4 O6 -","- C28 H26 B2 N4 O6 -","- C56 H52 B4 N8 O12 -","2","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.102","0.0618","","","0.1184","0.1362","","","","","","1.084","","","","has coordinates","193173","2020-10-21","18:00:00",""
"4125819","7.4225","0.0015","23.717","0.005","11.927","0.002","90","","107.92","0.02","90","","1997.8","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 B F6 N2 O2 -","- C20 H13 B F6 N2 O2 -","- C80 H52 B4 F24 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.1101","0.0619","","","0.1601","0.2076","","","","","","1.039","","","","has coordinates","193174","2020-10-21","18:00:00",""
"4125820","12.676","0.002","11.7614","0.0019","9.4574","0.0014","90","","97.256","0.015","90","","1398.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H12 B Cl N2 O2 -","- C14 H12 B Cl N2 O2 -","- C56 H48 B4 Cl4 N8 O8 -","4","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0567","0.0424","","","0.1085","0.1169","","","","","","1.062","","","","has coordinates","193175","2020-10-21","18:00:00",""
"4125821","12.6482","0.0013","11.8379","0.0011","9.6038","0.0008","90","","97.379","0.009","90","","1426.1","0.2","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H12 B Br N2 O2 -","- C14 H12 B Br N2 O2 -","- C56 H48 B4 Br4 N8 O8 -","4","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0749","0.0438","","","0.0966","0.1114","","","","","","1.024","","","","has coordinates","193176","2020-10-21","18:00:00",""
"4125822","7.9753","0.0009","10.291","0.002","10.73","0.003","109.53","0.02","105.321","0.017","104.113","0.013","745.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 B2 N4 O4 -","- C32 H34 B2 N4 O4 -","- C32 H34 B2 N4 O4 -","1","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0604","0.0485","","","0.1233","0.1318","","","","","","1.047","","","","has coordinates","193177","2020-10-21","18:00:00",""
"4125823","11.6218","0.001","11.2692","0.0009","13.6669","0.001","90","","100.367","0.008","90","","1760.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 B N2 O2 -","- C18 H21 B N2 O2 -","- C72 H84 B4 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.1067","0.0883","","","0.2279","0.2565","","","","","","1.028","","","","has coordinates,has disorder","193178","2020-10-21","18:00:00",""
"4125824","16.2149","0.0005","19.0932","0.0006","11.5026","0.0003","90","","106.996","0.001","90","","3405.61","0.18","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C30 H55 Co N O4 P2 -","- C30 H55 Co N O4 P2 -","- C120 H220 Co4 N4 O16 P8 -","4","2","","Obligacion, Jennifer V.; Bezdek, Máté J; Chirik, Paul J.","C(sp(2))-H Borylation of Fluorinated Arenes Using an Air-Stable Cobalt Precatalyst: Electronically Enhanced Site Selectivity Enables Synthetic Opportunities.","Journal of the American Chemical Society","2017","139","7","2825","2832","10.1021/jacs.6b13346","","","1.54178","CuKα","","0.0398","0.0388","","","0.1027","0.1035","","","","","","1.209","","","","has coordinates","193180","2020-10-21","18:00:00",""
"4125825","10.6185","0.0002","13.687","0.0003","7.4015","0.0002","90","","108.19","0.001","90","","1021.94","0.04","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F3 Fe0.5 N0.5 O3 S -","- C8 H7 F3 Fe0.5 N0.5 O3 S -","- C32 H28 F12 Fe2 N2 O12 S4 -","4","1","","Mews, Nicole M.; Berkefeld, Andreas; Hörner, Gerald; Schubert, Hartmut","Controlling Near-Infrared Chromophore Electronic Properties through Metal-Ligand Orbital Alignment.","Journal of the American Chemical Society","2017","139","7","2808","2815","10.1021/jacs.6b13085","","","0.71073","MoKα","","0.028","0.0276","","","0.064","0.0642","","","","","","1.253","","","","has coordinates,has disorder","193181","2020-10-21","18:00:00",""
"4125826","9.4324","0.0004","34.7348","0.0014","17.2141","0.0007","90","","91.997","0.001","90","","5636.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H79 P Pt S2 -","- C62 H63 P Pt S2 -","- C248 H252 P4 Pt4 S8 -","4","1","","Mews, Nicole M.; Berkefeld, Andreas; Hörner, Gerald; Schubert, Hartmut","Controlling Near-Infrared Chromophore Electronic Properties through Metal-Ligand Orbital Alignment.","Journal of the American Chemical Society","2017","139","7","2808","2815","10.1021/jacs.6b13085","","","0.71073","MoKα","","0.0562","0.0416","","","0.0754","0.0803","","","","","","1.136","","","","has coordinates","193182","2020-10-21","18:00:00",""
"4125827","10.385","0.003","19.96","0.005","10.896","0.003","90","","90.114","0.006","90","","2258.6","1.1","93.15","","93","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C28 H28 B2 -","- C28 H28 B2 -","- C112 H112 B8 -","4","2","","Tsukahara, Nana; Asakawa, Hiroki; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Cleaving Dihydrogen with Tetra(o-tolyl)diborane(4).","Journal of the American Chemical Society","2017","139","7","2593","2596","10.1021/jacs.7b00924","","","0.71075","MoKα","","0.132","0.0831","","","0.1813","0.2136","","","","","","1.012","","","","has coordinates","193183","2020-10-21","18:00:00",""
"4125828","40.6","0.02","6.991","0.002","17.968","0.007","90","","115.905","0.004","90","","4587","3","93","2","93","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 B2 -","- C28 H30 B2 -","- C224 H240 B16 -","8","1","","Tsukahara, Nana; Asakawa, Hiroki; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Cleaving Dihydrogen with Tetra(o-tolyl)diborane(4).","Journal of the American Chemical Society","2017","139","7","2593","2596","10.1021/jacs.7b00924","","","0.71075","MoKα","","0.1039","0.0933","","","0.2519","0.2648","","","","","","1.079","","","","has coordinates","193183","2020-10-21","18:00:00",""
"4125829","15.4038","0.0012","12.2332","0.0008","17.2715","0.0013","90","","98.024","0.007","90","","3222.7","0.4","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 B N -","- C19 H20 B N -","- C152 H160 B8 N8 -","8","2","","Tsukahara, Nana; Asakawa, Hiroki; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Cleaving Dihydrogen with Tetra(o-tolyl)diborane(4).","Journal of the American Chemical Society","2017","139","7","2593","2596","10.1021/jacs.7b00924","","","0.71073","MoKα","","0.1455","0.0701","","","0.1541","0.2076","","","","","","1.048","","","","has coordinates","193183","2020-10-21","18:00:00",""
"4125830","24.412","0.006","24.412","","24.412","","90","","90","","90","","14548","4","110","2","110","2","","","","","","","","3","P -4 3 m","P -4 2 3","215","","","","- Cd54 O4 Se80 -","- Cd54 O4 Se80 -","- Cd54 O4 Se80 -","1","0.0416667","","Levchenko, Tetyana I.; Kübel, Christian; Khalili Najafabadi, Bahareh; Boyle, Paul D.; Cadogan, Carolyn; Goncharova, Lyudmila V.; Garreau, Alexandre; Lagugné-Labarthet, François; Huang, Yining; Corrigan, John F.","Luminescent CdSe Superstructures: A Nanocluster Superlattice and a Nanoporous Crystal.","Journal of the American Chemical Society","2017","139","3","1129","1144","10.1021/jacs.6b10490","","","0.71073","MoKα","","0.1717","0.1109","","","0.2345","0.2694","","","","","","7.278","","","","has coordinates","193184","2020-10-21","18:00:00",""
"4125831","26.6098","0.0009","7.296","0.0002","28.9626","0.0009","90","","110.651","0.003","90","","5261.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1.(Et,H2O)","","","- C24 H16 Fe N12 O2 Pd -","- C24 H16 Fe N12 O2 Pd -","- C192 H128 Fe8 N96 O16 Pd8 -","8","1","","Murphy, Michael J.; Zenere, Katrina A.; Ragon, Florence; Southon, Peter D.; Kepert, Cameron J.; Neville, Suzanne M.","Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material.","Journal of the American Chemical Society","2017","139","3","1330","1335","10.1021/jacs.6b12465","","","0.71073","MoKα","","0.1231","0.091","","","0.2158","0.2403","","","","","","1.062","","","","has coordinates,has disorder","193185","2020-10-21","18:00:00",""
"4125832","26.4752","0.0002","7.4361","0.0003","29.3821","0.0003","90","","109.99","0.001","90","","5436","0.2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1.3(H2O)","","","- C22 H16 Fe N12 O3 Pd -","- C22 H16 Fe N12 O3 Pd -","- C176 H128 Fe8 N96 O24 Pd8 -","8","1","","Murphy, Michael J.; Zenere, Katrina A.; Ragon, Florence; Southon, Peter D.; Kepert, Cameron J.; Neville, Suzanne M.","Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material.","Journal of the American Chemical Society","2017","139","3","1330","1335","10.1021/jacs.6b12465","","","1.54184","CuKα","","0.0561","0.0491","","","0.1435","0.1495","","","","","","1.085","","","","has coordinates","193186","2020-10-21","18:00:00",""
"4125833","10.532","0.002","20.908","0.004","12.844","0.003","90","","102.278","0.004","90","","2763.6","1","100","0.2","100","0.2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C56 H56 Cl4 Cu F3 N4 O3 Pd S -","- C56 H56 Cl4 Cu F3 N4 O3 Pd S -","- C112 H112 Cl8 Cu2 F6 N8 O6 Pd2 S2 -","2","1","","Oeschger, Raphael J.; Chen, Peter","Structure and Gas-Phase Thermochemistry of a Pd/Cu Complex: Studies on a Model for Transmetalation Transition States.","Journal of the American Chemical Society","2017","139","3","1069","1072","10.1021/jacs.6b12152","","x-ray","0.71073","MoKα","","0.0508","0.0383","","","0.0777","0.083","","","","","","1.037","","","","has coordinates,has disorder","193187","2020-10-21","18:00:00",""
"4125834","14.6614","0.0002","6.76028","0.0001","17.1457","0.0002","90","","92.7294","0.0012","90","","1697.47","0.04","173","2","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 B F2 N4 -","- C21 H13 B F2 N4 -","- C84 H52 B4 F8 N16 -","4","1","","Qian, Hai; Wang, Yu-Ying; Guo, Dong-Sheng; Aprahamian, Ivan","Controlling the Isomerization Rate of an Azo-BF2 Switch Using Aggregation.","Journal of the American Chemical Society","2017","139","3","1037","1040","10.1021/jacs.6b10982","","","1.54178","CuKα","","0.0779","0.0474","","","0.1177","0.1342","","","","","","1.027","","","","has coordinates","193188","2020-10-21","18:00:00",""
"4125835","30.9319","0.0018","18.2206","0.001","19.219","0.0011","90","","127.608","0.001","90","","8581","0.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H37 Cl4 Cu F6 N2 S2 -","- C46 H37 Cl4 Cu F6.003 N2 S2 -","- C368 H296 Cl32 Cu8 F48.024 N16 S16 -","8","1","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.0833","0.0544","","","0.116","0.1268","","","","","","1.047","","","","has coordinates,has disorder","193189","2020-10-21","18:00:00",""
"4125836","12.5124","0.0008","9.5784","0.0006","18.2174","0.0012","90","","94.815","0.002","90","","2175.6","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H7 Cl4 Cu F6 N3 O2 -","- C17 H7 Cl4 Cu F6 N3 O2 -","- C68 H28 Cl16 Cu4 F24 N12 O8 -","4","0.5","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.0315","0.0271","","","0.0649","0.0667","","","","","","1.051","","","","has coordinates","193190","2020-10-21","18:00:00",""
"4125837","12.4145","0.0003","17.6411","0.0004","18.8543","0.0005","90","","98.815","0.002","90","","4080.42","0.17","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H16 Cl8 Cu2 F12 N4 O2 -","- C34 H16 Cl8 Cu2 F12 N4 O2 -","- C136 H64 Cl32 Cu8 F48 N16 O8 -","4","0.5","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.04","0.0281","","","0.0658","0.0692","","","","","","1.048","","","","has coordinates","193191","2020-10-21","18:00:00",""
"4125838","8.0134","0.0005","11.9127","0.0007","13.9735","0.0008","102.98","0.001","91.754","0.001","101.233","0.001","1271.08","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H15 Cl4 Cu F6 N3 O3 -","- C21 H15 Cl4 Cu F6 N3 O3 -","- C42 H30 Cl8 Cu2 F12 N6 O6 -","2","1","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.0256","0.0235","","","0.0589","0.0599","","","","","","1.052","","","","has coordinates","193192","2020-10-21","18:00:00",""
"4125839","16.5654","0.0009","23.626","0.002","30.091","0.002","90","","103.843","0.003","90","","11434.8","1.4","100","1","100.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C180 H150 Ag23 Cl7 P10 Pt2 -","- C180 H150 Ag23 Cl7 P10 Pt2 -","- C360 H300 Ag46 Cl14 P20 Pt4 -","2","0.5","","Bootharaju, Megalamane S.; Kozlov, Sergey M.; Cao, Zhen; Harb, Moussab; Maity, Niladri; Shkurenko, Aleksander; Parida, Manas R.; Hedhili, Mohamed N.; Eddaoudi, Mohamed; Mohammed, Omar F.; Bakr, Osman M.; Cavallo, Luigi; Basset, Jean-Marie","Doping-Induced Anisotropic Self-Assembly of Silver Icosahedra in [Pt2Ag23Cl7(PPh3)10] Nanoclusters.","Journal of the American Chemical Society","2017","139","3","1053","1056","10.1021/jacs.6b11875","","","1.54178","CuKα","","0.2247","0.1646","","","0.444","0.4827","","","","","","2.015","","","","has coordinates,has disorder","193193","2020-10-21","18:00:00",""
"4125840","8.2737","0.0005","14.9975","0.0009","48.44","0.003","90","","91.96","0.004","90","","6007.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","HV-04-024","sarpong125","","- C33 H38 N4 O Si -","- C33 H38 N4 O Si -","- C264 H304 N32 O8 Si8 -","8","2","","Viart, Hélène M-F; Bachmann, Andreas; Kayitare, William; Sarpong, Richmond","β-Carboline Amides as Intrinsic Directing Groups for C(sp(2))-H Functionalization.","Journal of the American Chemical Society","2017","139","3","1325","1329","10.1021/jacs.6b12569","","","1.54178","CuKα","","0.1543","0.1289","","","0.2818","0.2911","","","","","","1.189","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4125841","18.7157","0.0012","14.5858","0.0009","19.373","0.0011","90","","98.405","0.004","90","","5231.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","HV-05-033","sarpong136","","- C33.5 H29 N3 O -","- C33.5 H29 N3 O -","- C268 H232 N24 O8 -","8","2","","Viart, Hélène M-F; Bachmann, Andreas; Kayitare, William; Sarpong, Richmond","β-Carboline Amides as Intrinsic Directing Groups for C(sp(2))-H Functionalization.","Journal of the American Chemical Society","2017","139","3","1325","1329","10.1021/jacs.6b12569","","","1.54178","CuKα","","0.0736","0.0558","","","0.1527","0.1674","","","","","","1.043","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4125842","9.2667","0.0006","10.0686","0.0005","10.9395","0.0007","90","","111.348","0.007","90","","950.65","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N5 -","- C9 H9 N5 -","- C36 H36 N20 -","4","1","","Calbo, Joaquín; Weston, Claire E.; White, Andrew J. P.; Rzepa, Henry S.; Contreras-García, Julia; Fuchter, Matthew J.","Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design.","Journal of the American Chemical Society","2017","139","3","1261","1274","10.1021/jacs.6b11626","","","0.71073","MoKα","","0.0559","0.0393","","","0.0932","0.1033","","","","","","1.034","","","","has coordinates","193196","2020-10-21","18:00:00",""
"4125843","10.1175","0.0002","11.0673","0.0003","16.8859","0.0004","90","","90","","90","","1890.77","0.08","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N4 -","- C10 H10 N4 -","- C80 H80 N32 -","8","1","","Calbo, Joaquín; Weston, Claire E.; White, Andrew J. P.; Rzepa, Henry S.; Contreras-García, Julia; Fuchter, Matthew J.","Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design.","Journal of the American Chemical Society","2017","139","3","1261","1274","10.1021/jacs.6b11626","","","1.54184","CuKα","","0.045","0.0389","","","0.098","0.103","","","","","","1.071","","","","has coordinates","193196","2020-10-21","18:00:00",""
"4125844","8.012","0.0005","11.491","0.0006","7.7899","0.0005","90","","113.418","0.008","90","","658.11","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N3 O2 -","- C5 H7 N3 O2 -","- C20 H28 N12 O8 -","4","1","","Calbo, Joaquín; Weston, Claire E.; White, Andrew J. P.; Rzepa, Henry S.; Contreras-García, Julia; Fuchter, Matthew J.","Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design.","Journal of the American Chemical Society","2017","139","3","1261","1274","10.1021/jacs.6b11626","","","0.71073","MoKα","","0.0479","0.0415","","","0.1114","0.1173","","","","","","1.106","","","","has coordinates","193196","2020-10-21","18:00:00",""
"4125845","8.8437","0.0002","8.8437","0.0002","3.9254","0.0001","90","","90","","120","","265.878","0.011","296","2","296","2","","","","","","","","5","P -6 2 m","P -6 -2","189","","","","- C F K Mg O3 -","- C F K Mg O3 -","- C3 F3 K3 Mg3 O9 -","3","0.25","","Tran, T. Thao; Young, Joshua; Rondinelli, James M.; Halasyamani, P. Shiv","Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","139","3","1285","1295","10.1021/jacs.6b11965","","","0.71073","MoKα","","0.0492","0.0492","","","0.1165","0.1165","","","","","","1.157","","","","has coordinates,has disorder","193197","2020-10-21","18:00:00",""
"4125846","13.2888","0.0017","6.8258","0.0009","18.824","0.002","90","","90","","90","","1707.5","0.4","296","2","296","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C8 Cs9 F5 Mg6 O24 -","- C8 Cs9 F5 Mg6 O24 -","- C16 Cs18 F10 Mg12 O48 -","2","0.5","","Tran, T. Thao; Young, Joshua; Rondinelli, James M.; Halasyamani, P. Shiv","Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","139","3","1285","1295","10.1021/jacs.6b11965","","","0.71073","MoKα","","0.0202","0.0195","","","0.0476","0.048","","","","","","1.075","","","","has coordinates","193197","2020-10-21","18:00:00",""
"4125847","11.7733","0.0006","10.6772","0.0006","30.5233","0.0016","90","","96.563","0.001","90","","3811.8","0.4","140","1","140","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Cl Ir N2 O S -","- C18 H30 Cl Ir N2 O S -","- C144 H240 Cl8 Ir8 N16 O8 S8 -","8","2","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","Why Does Alkylation of the N-H Functionality within M/NH Bifunctional Noyori-Type Catalysts Lead to Turnover?","Journal of the American Chemical Society","2017","139","3","1245","1260","10.1021/jacs.6b11666","","","0.71073","MoKα","","0.0302","0.0243","","","0.058","0.0605","","","","","","1.182","","","","has coordinates","193198","2020-10-21","18:00:00",""
"4125848","10.3404","0.0009","15.103","0.0013","11.7278","0.001","90","","99.003","0.001","90","","1809","0.3","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H28 Cl Ir N2 O S -","- C17 H28 Cl Ir N2 O S -","- C68 H112 Cl4 Ir4 N8 O4 S4 -","4","1","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","Why Does Alkylation of the N-H Functionality within M/NH Bifunctional Noyori-Type Catalysts Lead to Turnover?","Journal of the American Chemical Society","2017","139","3","1245","1260","10.1021/jacs.6b11666","","","0.71073","MoKα","","0.03","0.0247","","","0.0741","0.0845","","","","","","1.446","","","","has coordinates","193199","2020-10-21","18:00:00",""
"4125849","65.243","0.01","65.243","0.01","10.2551","0.0017","90","","90","","120","","37804","10","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C306 H144 Mg6 O72 S36 -","- C306 H144 Mg6 O72 S36 -","- C918 H432 Mg18 O216 S108 -","3","0.166667","","Park, Sarah S.; Hendon, Christopher H.; Fielding, Alistair J.; Walsh, Aron; O'Keeffe, Michael; Dincă, Mircea","The Organic Secondary Building Unit: Strong Intermolecular π Interactions Define Topology in MIT-25, a Mesoporous MOF with Proton-Replete Channels.","Journal of the American Chemical Society","2017","139","10","3619","3622","10.1021/jacs.6b13176","","","0.71073","MoKα","","0.1062","0.0904","","","0.2428","0.2519","","","","","","1.132","","","","has coordinates,has disorder","194829","2020-10-21","18:00:00",""
"4125850","16.436","0.002","17.359","0.002","18.633","0.002","80.501","0.006","70.268","0.005","63.067","0.005","4460.8","0.9","100","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H84 F24 N12 P4 -","- C92 H84 F24 N12 P4 -","- C184 H168 F48 N24 P8 -","2","1","","Lipke, Mark C.; Cheng, Tao; Wu, Yilei; Arslan, Hasan; Xiao, Hai; Wasielewski, Michael R.; Goddard, William A.; Stoddart, J. Fraser","Size-Matched Radical Multivalency.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b09892","","","1.54178","CuKα","","0.0673","0.0615","","","0.172","0.1807","","","","","","1.022","","","","has coordinates,has disorder","194099","2020-10-21","18:00:00",""
"4125851","25.6496","0.0009","8.7129","0.0003","20.6646","0.0012","90","","126.924","0.0013","90","","3691.9","0.3","100","2","99.99","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C36 H32 F12 N4 P2 -","- C36 H32 F12 N4 P2 -","- C144 H128 F48 N16 P8 -","4","0.5","","Lipke, Mark C.; Cheng, Tao; Wu, Yilei; Arslan, Hasan; Xiao, Hai; Wasielewski, Michael R.; Goddard, William A.; Stoddart, J. Fraser","Size-Matched Radical Multivalency.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b09892","","","1.54178","CuKα","","0.0543","0.0475","","","0.1303","0.1355","","","","","","1.08","","","","has coordinates","194100","2020-10-21","18:00:00",""
"4125852","18.9571","0.001","11.286","0.0006","13.8878","0.0008","90","","90","","90","","2971.3","0.3","100","","100","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C60 H68 F12 N4 O2 P2 -","- C60 H68 F12 N4 O2 P2 -","- C120 H136 F24 N8 O4 P4 -","2","0.5","","Lipke, Mark C.; Cheng, Tao; Wu, Yilei; Arslan, Hasan; Xiao, Hai; Wasielewski, Michael R.; Goddard, William A.; Stoddart, J. Fraser","Size-Matched Radical Multivalency.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b09892","","","1.54178","CuKα","","0.0873","0.0842","","","0.2506","0.2538","","","","","","1.099","","","","has coordinates","194101","2020-10-21","18:00:00",""
"4125853","6.7999","0.0018","6.7999","0.0018","6.7999","0.0018","90","","90","","90","","314.42","0.14","453","2","453","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C4 H9 Br3 N2 Rb -","- Br3 N6 Rb -","- Br3 N6 Rb -","1","0.0208333","","Pan, Qiang; Liu, Zhi-Bo; Tang, Yuan-Yuan; Li, Peng-Fei; Ma, Rong-Wei; Wei, Ru-Yuan; Zhang, Yi; You, Yu-Meng; Ye, Heng-Yun; Xiong, Ren-Gen","A Three-Dimensional Molecular Perovskite Ferroelectric: (3-Ammoniopyrrolidinium)RbBr3.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00492","","","0.71073","MoKα","","0.0935","0.0827","","","0.1899","0.1967","","","","","","1.279","","","","has coordinates","194102","2020-10-21","18:00:00",""
"4125854","12.3565","0.0009","15.4538","0.001","17.0147","0.0012","83.811","0.006","75.257","0.006","80.638","0.006","3092.7","0.4","294.63","0.1","294.63","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C27 H36 O8 -","- C27 H36 O8 -","- C108 H144 O32 -","4","2","","Wang, Fang-Xin; Du, Ji-Yuan; Wang, Hui-Bin; Zhang, Peng-Lin; Zhang, Guo-Biao; Yu, Ke-Yin; Zhang, Xiang-Zhi; An, Xian-Tao; Cao, Ye-Xing; Fan, Chun-An","Total Synthesis of Lycopodium Alkaloids Palhinine A and Palhinine D.","Journal of the American Chemical Society","2017","139","12","4282","4285","10.1021/jacs.6b13401","","","0.71","MoKα","","0.1275","0.0811","","","0.2339","0.2564","","","","","","1.186","","","","has coordinates,has disorder","194847","2020-10-21","18:00:00",""
"4125855","8.3782","0.0007","22.5803","0.0016","8.7664","0.0007","90","","111.944","0.009","90","","1538.3","0.2","297.72","0.16","297.72","0.16","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Wang, Fang-Xin; Du, Ji-Yuan; Wang, Hui-Bin; Zhang, Peng-Lin; Zhang, Guo-Biao; Yu, Ke-Yin; Zhang, Xiang-Zhi; An, Xian-Tao; Cao, Ye-Xing; Fan, Chun-An","Total Synthesis of Lycopodium Alkaloids Palhinine A and Palhinine D.","Journal of the American Chemical Society","2017","139","12","4282","4285","10.1021/jacs.6b13401","","x-ray","0.71073","MoKα","","0.1099","0.0598","","","0.1201","0.1523","","","","","","1.026","","","","has coordinates","194847","2020-10-21","18:00:00",""
"4125856","18.3993","0.0006","7.78611","0.00018","20.8816","0.0006","90","","90.719","0.003","90","","2991.24","0.15","273.77","0.1","273.77","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C136 H200 N8 O24 -","8","2","","Wang, Fang-Xin; Du, Ji-Yuan; Wang, Hui-Bin; Zhang, Peng-Lin; Zhang, Guo-Biao; Yu, Ke-Yin; Zhang, Xiang-Zhi; An, Xian-Tao; Cao, Ye-Xing; Fan, Chun-An","Total Synthesis of Lycopodium Alkaloids Palhinine A and Palhinine D.","Journal of the American Chemical Society","2017","139","12","4282","4285","10.1021/jacs.6b13401","","x-ray","0.71073","MoKα","","0.0855","0.0555","","","0.1147","0.1333","","","","","","1.043","","","","has coordinates","194847","2020-10-21","18:00:00",""
"4125857","13.1333","0.0006","9.4398","0.0004","11.3277","0.0005","90","","101.923","0.002","90","","1374.06","0.11","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Lau, Vivian M.; Pfalzgraff, William C.; Markland, Thomas E.; Kanan, Matthew W.","Electrostatic Control of Regioselectivity in Au(I)-Catalyzed Hydroarylation.","Journal of the American Chemical Society","2017","139","11","4035","4041","10.1021/jacs.6b11971","","x-ray","0.71073","MoKα","","0.0709","0.0439","","","0.0971","0.1098","","","","","","1.041","","","","has coordinates","194843","2020-10-21","18:00:00",""
"4125858","6.8201","0.0005","10.8988","0.0007","12.5246","0.0008","68.965","0.004","79.16","0.004","81.812","0.004","850.57","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 F12 Ni2 P2 -","- C34 H30 F12 Ni2 P2 -","- C34 H30 F12 Ni2 P2 -","1","0.5","","Giffin, Kaitie A.; Pua, Lorraine A.; Piotrkowski, Sarah; Gabidullin, Bulat M.; Korobkov, Ilia; Hughes, Russell P.; Baker, R. Tom","Generation of Hydrofluoronickelacycles from Trifluoroethylene and Ni(0): Ligand Effects on Regio-/Stereoselectivity and Reactivity.","Journal of the American Chemical Society","2017","139","11","4075","4086","10.1021/jacs.6b12607","","","0.71073","MoKα","","0.1267","0.0527","","","0.0818","0.1017","","","","","","1","","","","has coordinates","194841","2020-10-21","18:00:00",""
"4125859","8.0635","0.0008","10.4307","0.001","11.0659","0.0011","99.725","0.004","98.579","0.004","107.584","0.003","854.41","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 F8 O6 P2 S2 -","- C32 H28 F8 O6 P2 S2 -","- C32 H28 F8 O6 P2 S2 -","1","0.5","","Giffin, Kaitie A.; Pua, Lorraine A.; Piotrkowski, Sarah; Gabidullin, Bulat M.; Korobkov, Ilia; Hughes, Russell P.; Baker, R. Tom","Generation of Hydrofluoronickelacycles from Trifluoroethylene and Ni(0): Ligand Effects on Regio-/Stereoselectivity and Reactivity.","Journal of the American Chemical Society","2017","139","11","4075","4086","10.1021/jacs.6b12607","","","0.71073","MoKα","","0.0868","0.0654","","","0.1721","0.1842","","","","","","1.098","","","","has coordinates","194841","2020-10-21","18:00:00",""
"4125860","12.7756","0.0004","13.0805","0.0004","18.7153","0.0005","93.233","0.002","90.756","0.002","94.444","0.002","3112.69","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H44 F6 N8 O7.5 S2 Zn -","- C72 H44 F6 N8 O7.5 S2 Zn -","- C144 H88 F12 N16 O15 S4 Zn2 -","2","1","","He, Yun-Jui; Tu, Tsung-Han; Su, Ming-Kun; Yang, Chia-Wei; Kong, Kien Voon; Chan, Yi-Tsu","Facile Construction of Metallo-supramolecular Poly(3-hexylthiophene)-block-Poly(ethylene oxide) Diblock Copolymers via Complementary Coordination and Their Self-Assembled Nanostructures.","Journal of the American Chemical Society","2017","139","11","4218","4224","10.1021/jacs.7b01010","","","0.71073","MoKα","","0.0855","0.0686","","","0.1816","0.196","","","","","","1.063","","","","has coordinates,has disorder","194842","2020-10-21","18:00:00",""
"4125861","10.9455","0.0009","28.393","0.002","11.0501","0.0009","90","","93.95","0.004","90","","3425.9","0.5","300","2","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 B2 F12 Fe N7 -","- C32 H21 B2 F12 Fe N7 -","- C128 H84 B8 F48 Fe4 N28 -","4","1","","Fatur, Steven M.; Shepard, Samuel G.; Higgins, Robert F.; Shores, Matthew P.; Damrauer, Niels H.","A Synthetically Tunable System To Control MLCT Excited-State Lifetimes and Spin States in Iron(II) Polypyridines.","Journal of the American Chemical Society","2017","139","12","4493","4505","10.1021/jacs.7b00700","","","0.71073","MoKα","","0.1014","0.0569","","","0.1297","0.1527","","","","","","1.037","","","","has coordinates,has disorder","194844","2020-10-21","18:00:00",""
"4125862","10.1127","0.0009","28.166","0.002","11.2884","0.001","90","","92.54","0.004","90","","3212.2","0.5","120","2","120.14","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 B2 F12 Fe N7 -","- C32 H21 B2 F12 Fe N7 -","- C128 H84 B8 F48 Fe4 N28 -","4","1","","Fatur, Steven M.; Shepard, Samuel G.; Higgins, Robert F.; Shores, Matthew P.; Damrauer, Niels H.","A Synthetically Tunable System To Control MLCT Excited-State Lifetimes and Spin States in Iron(II) Polypyridines.","Journal of the American Chemical Society","2017","139","12","4493","4505","10.1021/jacs.7b00700","","","0.71073","MoKα","","0.0813","0.0636","","","0.1674","0.1807","","","","","","1.045","","","","has coordinates","194844","2020-10-21","18:00:00",""
"4125863","21.1642","0.0012","16.9913","0.001","23.7983","0.0013","90","","112.85","0.0019","90","","7886.4","0.8","100","2","99.96","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 B2 Br4 F8 Fe N6 O -","- C34 H28 B2 Br4 F8 Fe N6 O -","- C272 H224 B16 Br32 F64 Fe8 N48 O8 -","8","2","","Fatur, Steven M.; Shepard, Samuel G.; Higgins, Robert F.; Shores, Matthew P.; Damrauer, Niels H.","A Synthetically Tunable System To Control MLCT Excited-State Lifetimes and Spin States in Iron(II) Polypyridines.","Journal of the American Chemical Society","2017","139","12","4493","4505","10.1021/jacs.7b00700","","","0.71073","MoKα","","0.0659","0.057","","","0.1422","0.1454","","","","","","1.171","","","","has coordinates,has disorder","194844","2020-10-21","18:00:00",""
"4125864","17.1024","0.001","20.8582","0.0012","23.0504","0.0013","90","","102.493","0.002","90","","8028","0.8","120","2","120.06","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C37 H23 B2 Cl4 F8 Fe N7 -","- C37 H23 B2 Cl4 F8 Fe N7 -","- C296 H184 B16 Cl32 F64 Fe8 N56 -","8","2","","Fatur, Steven M.; Shepard, Samuel G.; Higgins, Robert F.; Shores, Matthew P.; Damrauer, Niels H.","A Synthetically Tunable System To Control MLCT Excited-State Lifetimes and Spin States in Iron(II) Polypyridines.","Journal of the American Chemical Society","2017","139","12","4493","4505","10.1021/jacs.7b00700","","","0.71073","MoKα","","0.0534","0.038","","","0.0782","0.0842","","","","","","1.022","","","","has coordinates","194844","2020-10-21","18:00:00",""
"4125865","12.7241","0.0007","13.8775","0.0008","9.4376","0.0006","90","","105.076","0.006","90","","1609.12","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 N2 O S4 V -","- C10 H20 N2 O S4 V -","- C40 H80 N8 O4 S16 V4 -","4","1","","Atzori, Matteo; Tesi, Lorenzo; Benci, Stefano; Lunghi, Alessandro; Righini, Roberto; Taschin, Andrea; Torre, Renato; Sorace, Lorenzo; Sessoli, Roberta","Spin Dynamics and Low Energy Vibrations: Insights from Vanadyl-Based Potential Molecular Qubits.","Journal of the American Chemical Society","2017","139","12","4338","4341","10.1021/jacs.7b01266","","","1.54184","CuKα","","0.0867","0.0742","","","0.1946","0.2191","","","","","","1.048","","","","has coordinates","194845","2020-10-21","18:00:00",""
"4125866","11.568","0.007","14.244","0.003","8.118","0.003","97.44","0.02","103","0.04","94.64","0.03","1284","1","153.2","","153.2","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H28 Co Li3 N9 O4 -","- C17 H28 Co Li3 N9 O4 -","- C34 H56 Co2 Li6 N18 O8 -","2","1","","Dorai Ramprasad; Guido P. Pez; Brian H. Toby; Thomas J. Markley; Ronald M. Pearlstein","Solid State Lithium Cyanocobaltates with a High Capacity for Reversible Dioxygen Binding: Synthesis, Reactivity, and Structures","Journal of the American Chemical Society","1995","117","","10694","10701","10.1021/ja00148a011","","","0.7107","MoKalpha","","","0.0774","","","0.085","","","","","2.308","2.308","","","","","has coordinates","194294","2020-10-21","18:00:00",""
"4125867","15.4455","0.0008","8.4217","0.0004","14.1511","0.0008","90","","97.778","0.026","90","","1823.8","0.2","","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Co Li3 N7 O2 -","- C11 Co Li3 N7 O2 -","- C44 Co4 Li12 N28 O8 -","4","1","","Dorai Ramprasad; Guido P. Pez; Brian H. Toby; Thomas J. Markley; Ronald M. Pearlstein","Solid State Lithium Cyanocobaltates with a High Capacity for Reversible Dioxygen Binding: Synthesis, Reactivity, and Structures","Journal of the American Chemical Society","1995","117","","10694","10701","10.1021/ja00148a011","powder diffraction","x-ray","1.29945","synchrotron","","","","","","","","","0.0514","","","","1.728","","","","has coordinates","194295","2020-10-21","18:00:00",""
"4125868","8.4867","0.0006","42.907","0.003","8.6105","0.0006","90","","118.846","0.001","90","","2746.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H41 I N2 O4 -","- C25 H41 I N2 O4 -","- C100 H164 I4 N8 O16 -","4","2","","Muñiz, Kilian; Barreiro, Laura; Romero, R Martín; Martínez, Claudio","Catalytic Asymmetric Diamination of Styrenes.","Journal of the American Chemical Society","2017","139","12","4354","4357","10.1021/jacs.7b01443","","","0.71073","MoKα","","0.0532","0.0517","","","0.1218","0.1244","","","","","","1.142","","","","has coordinates","194846","2020-10-21","18:00:00",""
"4125869","10.1539","0.001","11.2274","0.0011","13.3373","0.0013","76.2764","0.0013","83.2527","0.0013","69.4931","0.0013","1382.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(ONO^Cat^)ReO(μ-O)2ReO(ONO^Cat^)","Di-μ-oxo-bis(bis(3,5-di-tert-butyl-2-phenoxo)amido)- dioxodirhenium(VII)","","- C56 H80 N2 O8 Re2 -","- C56 H80 N2 O8 Re2 -","- C56 H80 N2 O8 Re2 -","1","0.5","","Hoffman, Justin M.; Oliver, Allen G.; Brown, Seth N.","The Metal or the Ligand? The Preferred Locus for Redox Changes in Oxygen Atom Transfer Reactions of Rhenium Amidodiphenoxides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00985","","","0.7749","synchrotron","","0.042","0.0346","","","0.0819","0.0855","","","","","","1.015","","","","has coordinates","194301","2020-10-21","18:00:00",""
"4125870","13.0049","0.0005","11.7607","0.0005","11.634","0.0005","90","","99.373","0.002","90","","1755.63","0.13","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Co I2 N3 O2 -","- C14 H16 Co I2 N3 O -","- C56 H64 Co4 I8 N12 O4 -","4","1","","Waldie, Kate M.; Ramakrishnan, Srinivasan; Kim, Sung-Kwan; Maclaren, Jana K.; Chidsey, Christopher E. D.; Waymouth, Robert M.","Multielectron Transfer at Cobalt: Influence of the Phenylazopyridine Ligand.","Journal of the American Chemical Society","2017","139","12","4540","4550","10.1021/jacs.7b01047","","","0.71073","MoKα","","0.0172","0.016","","","0.0583","0.0597","","","","","","0.876","","","","has coordinates","194848","2020-10-21","18:00:00",""
"4125871","9.4249","0.0003","15.6731","0.0007","10.087","0.0005","90","","116.533","0.002","90","","1333.09","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Co N3 -","- C16 H14 Co N3 -","- C64 H56 Co4 N12 -","4","1","","Waldie, Kate M.; Ramakrishnan, Srinivasan; Kim, Sung-Kwan; Maclaren, Jana K.; Chidsey, Christopher E. D.; Waymouth, Robert M.","Multielectron Transfer at Cobalt: Influence of the Phenylazopyridine Ligand.","Journal of the American Chemical Society","2017","139","12","4540","4550","10.1021/jacs.7b01047","","x-ray","0.71073","MoKα","","0.0495","0.0314","","","0.0655","0.0736","","","","","","1.024","","","","has coordinates","194848","2020-10-21","18:00:00",""
"4125872","7.1818","0.0004","10.1423","0.0006","14.485","0.0008","90","","91.667","0.002","90","","1054.64","0.1","100","","100","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C18 H17 Cl2 Co N4 O8 -","- C18 H17 Cl2 Co N4 O8 -","- C36 H34 Cl4 Co2 N8 O16 -","2","1","","Waldie, Kate M.; Ramakrishnan, Srinivasan; Kim, Sung-Kwan; Maclaren, Jana K.; Chidsey, Christopher E. D.; Waymouth, Robert M.","Multielectron Transfer at Cobalt: Influence of the Phenylazopyridine Ligand.","Journal of the American Chemical Society","2017","139","12","4540","4550","10.1021/jacs.7b01047","","x-ray","0.71073","MoKα","","0.028","0.0247","","","0.0546","0.056","","","","","","1.039","","","","has coordinates","194848","2020-10-21","18:00:00",""
"4125873","19.8615","0.0009","22.9601","0.001","13.8009","0.0006","90","","95.504","0.002","90","","6264.5","0.5","230","2","230","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 Cl4 F12 N8 P2 Ru -","- C56 H60 Cl4 F12 N8 P2 Ru -","- C224 H240 Cl16 F48 N32 P8 Ru4 -","4","0.5","","Zheng, Yu; Tan, Yuqi; Harms, Klaus; Marsch, Michael; Riedel, Radostan; Zhang, Lilu; Meggers, Eric","Octahedral Ruthenium Complex with Exclusive Metal-Centered Chirality for Highly Effective Asymmetric Catalysis.","Journal of the American Chemical Society","2017","139","12","4322","4325","10.1021/jacs.7b01098","","","0.71073","MoKα","","0.0432","0.0349","","","0.0855","0.0896","","","","","","1.069","","","","has coordinates,has disorder","194849","2020-10-21","18:00:00",""
"4125874","14.276","0.0006","15.7178","0.0007","14.3256","0.0006","90","","103.244","0.002","90","","3129","0.2","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","z1056","","","- C60 H58 F12 N6 P4 Ru -","- C60 H58 F12 N6 P4 Ru -","- C120 H116 F24 N12 P8 Ru2 -","2","1","","Zheng, Yu; Tan, Yuqi; Harms, Klaus; Marsch, Michael; Riedel, Radostan; Zhang, Lilu; Meggers, Eric","Octahedral Ruthenium Complex with Exclusive Metal-Centered Chirality for Highly Effective Asymmetric Catalysis.","Journal of the American Chemical Society","2017","139","12","4322","4325","10.1021/jacs.7b01098","","","0.71073","MoKα","","0.0339","0.0278","","","0.0547","0.0563","","","","","","1.023","","","","has coordinates,has disorder","194849","2020-10-21","18:00:00",""
"4125875","16.85","0.01","9.878","0.008","18.29","0.011","90","","105.79","0.06","90","","2929","4","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","[C5H12N]2[Cu2(OAc)6]","Bis(piperidinium) hexaacetatodicopper(II)","","- C22 H42 Cu2 N2 O12 -","- C22 H42 Cu2 N2 O12 -","- C88 H168 Cu8 N8 O48 -","4","0.5","","Vantourout, Julien C.; Miras, Haralampos N.; Isidro-Llobet, Albert; Sproules, Stephen; Watson, Allan J. B.","Spectroscopic Studies of the Chan-Lam Amination: A Mechanism-Inspired Solution to Boronic Ester Reactivity.","Journal of the American Chemical Society","2017","139","13","4769","4779","10.1021/jacs.6b12800","","","0.71073","MoKα","","0.0831","0.0483","","","0.1045","0.1226","","","","","","1.036","","","","has coordinates","197433","2020-10-21","18:00:00",""
"4125876","10.5862","0.0004","15.0155","0.0006","15.7337","0.0006","90","","109.653","0.005","90","","2355.29","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cu4(?3-OH)2(OAc)6(C5H11N)4]","dihydroxo-hexaacetato-tetrapiperidino-tetracopper(II)","","- C36 H70 Cu4 N6 O14 -","- C36 H70 Cu4 N6 O14 -","- C72 H140 Cu8 N12 O28 -","2","0.5","","Vantourout, Julien C.; Miras, Haralampos N.; Isidro-Llobet, Albert; Sproules, Stephen; Watson, Allan J. B.","Spectroscopic Studies of the Chan-Lam Amination: A Mechanism-Inspired Solution to Boronic Ester Reactivity.","Journal of the American Chemical Society","2017","139","13","4769","4779","10.1021/jacs.6b12800","","","0.71073","MoKα","","0.0472","0.0342","","","0.0724","0.079","","","","","","1.043","","","","has coordinates","197433","2020-10-21","18:00:00",""
"4125877","16.796","0.014","8.433","0.006","20.29","0.014","90","","91.318","0.018","90","","2873","4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 N O -","- C16 H24 N O -","- C128 H192 N8 O8 -","8","1","","Mazumdar, Wrickban; Jana, Navendu; Thurman, Bryant T.; Wink, Donald J.; Driver, Tom G.","Rh2(II)-Catalyzed Ring Expansion of Cyclobutanol-Substituted Aryl Azides To Access Medium-Sized N-Heterocycles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01833","","","0.71073","MoKα","","0.1026","0.0768","","","0.1771","0.1949","","","","","","1.447","","","","has coordinates","194626","2020-10-21","18:00:00",""
"4125878","17.8809","0.0002","15.7708","0.0002","28.0382","0.0004","90","","90","","90","","7906.66","0.17","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H54 Br8 P2 Pd2 -","- C24 H54 Br8 P2 Pd2 -","- C192 H432 Br64 P16 Pd16 -","8","1","","Johansson Seechurn, Carin C. C.; Sperger, Theresa; Scrase, Thomas G.; Schoenebeck, Franziska; Colacot, Thomas J.","Understanding the Unusual Reduction Mechanism of Pd(II) to Pd(I): Uncovery of Hidden Species and Implications in Catalytic Cross-Coupling Reactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01110","","","0.71073","MoKα","","0.0692","0.0451","","","0.0989","0.1094","","","","","","1.087","","","","has coordinates","194663","2020-10-21","18:00:00",""
"4125879","6.2242","0.0006","6.2242","0.0006","6.2242","0.0006","90","","90","","90","","241.13","0.04","170","6","170","6","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C H5.15 Br0.45 I2.55 N1.85 Pb -","- C Br0.4503 I2.5503 N1.875 Pb -","- C Br0.4503 I2.5503 N1.875 Pb -","1","0.0208333","","Xie, Li-Qiang; Chen, Liang; Nan, Zi-Ang; Lin, Hai-Xin; Wang, Tan; Zhan, Dong-Ping; Yan, Jia-Wei; Mao, Bing-Wei; Tian, Zhong-Qun","Understanding the Cubic Phase Stabilization and Crystallization Kinetics in Mixed Cations and Halides Perovskite Single Crystals.","Journal of the American Chemical Society","2017","139","9","3320","3323","10.1021/jacs.6b12432","","","0.71073","MoKα","","0.048","0.048","","","0.1215","0.1215","","","","","","1.261","","","","has coordinates,has disorder","194736","2020-10-21","18:00:00",""
"4125880","9.7948","0.0002","12.7635","0.0003","17.197","0.0004","90","","90","","90","","2149.9","0.08","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 F7 N O3 -","- C23 H20 F7 N O3 -","- C92 H80 F28 N4 O12 -","4","1","","He, Jian; Shao, Qian; Wu, Qingfeng; Yu, Jin-Quan","Pd(II)-Catalyzed Enantioselective C(sp(3))-H Borylation.","Journal of the American Chemical Society","2017","139","9","3344","3347","10.1021/jacs.6b13389","","x-ray","1.54178","CuKα","","0.0254","0.0251","","","0.0631","0.0634","","","","","","1.046","","","","has coordinates","194737","2020-10-21","18:00:00",""
"4125881","6.2716","0.0002","15.4423","0.0004","19.9876","0.0005","90","","90","","90","","1935.76","0.09","125","","125","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 Cl F7 N O2 -","- C20 H15 Cl F7 N O2 -","- C80 H60 Cl4 F28 N4 O8 -","4","1","","He, Jian; Shao, Qian; Wu, Qingfeng; Yu, Jin-Quan","Pd(II)-Catalyzed Enantioselective C(sp(3))-H Borylation.","Journal of the American Chemical Society","2017","139","9","3344","3347","10.1021/jacs.6b13389","","x-ray","1.54178","CuKα","","0.023","0.0226","","","0.0593","0.0596","","","","","","1.054","","","","has coordinates","194738","2020-10-21","18:00:00",""
"4125882","12.2131","0.0008","12.737","0.0008","22.2524","0.0014","100.811","0.0007","104.37","0.0006","95.5916","0.0007","3255.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H99 K N2 O6 Pu Si6 -","- C51 H99 K N2 O6 Pu Si6 -","- C102 H198 K2 N4 O12 Pu2 Si12 -","2","1","","Windorff, Cory J.; Chen, Guo P.; Cross, Justin N.; Evans, William J.; Furche, Filipp; Gaunt, Andrew J.; Janicke, Michael T.; Kozimor, Stosh A.; Scott, Brian L.","Identification of the Formal +2 Oxidation State of Plutonium: Synthesis and Characterization of {Pu(II)[C5H3(SiMe3)2]3}().","Journal of the American Chemical Society","2017","139","11","3970","3973","10.1021/jacs.7b00706","","","0.71073","MoKα","","0.0282","0.0235","","","0.0511","0.0526","","","","","","1.037","","","","has coordinates","194739","2020-10-21","18:00:00",""
"4125883","11.0201","0.0016","11.0201","0.0016","5.8525","0.0012","90","","90","","90","","710.7","0.2","298","2","298","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Ge5 Pr2 Ru3 -","- Ge5 Pr2 Ru3 -","- Ge20 Pr8 Ru12 -","4","0.25","","Bugaris, Daniel E.; Malliakas, Christos D.; Han, Fei; Calta, Nicholas P.; Sturza, Mihai; Krogstad, Matthew J.; Osborn, Raymond; Rosenkranz, Stephan; Ruff, Jacob P. C.; Trimarchi, Giancarlo; Bud'ko, Sergey L.; Balasubramanian, Mahalingam; Chung, Duck Young; Kanatzidis, Mercouri G.","Charge Density Wave in the New Polymorphs of RE2Ru3Ge5 (RE = Pr, Sm, Dy).","Journal of the American Chemical Society","2017","139","11","4130","4143","10.1021/jacs.7b00284","","","0.71073","MoKα","","0.0281","0.028","","","0.0677","0.0677","","","","","","1.565","","","","has coordinates","194740","2020-10-21","18:00:00",""
"4125884","10.9816","0.0016","10.9816","0.0016","5.7773","0.0012","90","","90","","90","","696.7","0.2","298","2","298","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Ge5 Ru3 Sm2 -","- Ge5 Ru3 Sm2 -","- Ge20 Ru12 Sm8 -","4","0.25","","Bugaris, Daniel E.; Malliakas, Christos D.; Han, Fei; Calta, Nicholas P.; Sturza, Mihai; Krogstad, Matthew J.; Osborn, Raymond; Rosenkranz, Stephan; Ruff, Jacob P. C.; Trimarchi, Giancarlo; Bud'ko, Sergey L.; Balasubramanian, Mahalingam; Chung, Duck Young; Kanatzidis, Mercouri G.","Charge Density Wave in the New Polymorphs of RE2Ru3Ge5 (RE = Pr, Sm, Dy).","Journal of the American Chemical Society","2017","139","11","4130","4143","10.1021/jacs.7b00284","","","0.71073","MoKα","","0.0293","0.0291","","","0.068","0.0681","","","","","","1.466","","","","has coordinates","194740","2020-10-21","18:00:00",""
"4125885","10.9272","0.0015","10.9272","0.0015","5.697","0.0011","90","","90","","90","","680.24","0.19","298","2","298","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Dy2 Ge5 Ru3 -","- Dy2 Ge5 Ru3 -","- Dy8 Ge20 Ru12 -","4","0.25","","Bugaris, Daniel E.; Malliakas, Christos D.; Han, Fei; Calta, Nicholas P.; Sturza, Mihai; Krogstad, Matthew J.; Osborn, Raymond; Rosenkranz, Stephan; Ruff, Jacob P. C.; Trimarchi, Giancarlo; Bud'ko, Sergey L.; Balasubramanian, Mahalingam; Chung, Duck Young; Kanatzidis, Mercouri G.","Charge Density Wave in the New Polymorphs of RE2Ru3Ge5 (RE = Pr, Sm, Dy).","Journal of the American Chemical Society","2017","139","11","4130","4143","10.1021/jacs.7b00284","","","0.71073","MoKα","","0.0293","0.0292","","","0.0685","0.0686","","","","","","1.269","","","","has coordinates","194740","2020-10-21","18:00:00",""
"4125886","15.4137","0.0004","9.8707","0.0003","11.2707","0.0003","90","","116.835","0.0012","90","","1530.11","0.08","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H40 F12 Ni2 P4 -","- C20 H40 F12 Ni2 P4 -","- C40 H80 F24 Ni4 P8 -","2","0.25","","Giffin, Kaitie A.; Pua, Lorraine A.; Piotrkowski, Sarah; Gabidullin, Bulat M.; Korobkov, Ilia; Hughes, Russell P.; Baker, R. Tom","Generation of Hydrofluoronickelacycles from Trifluoroethylene and Ni(0): Ligand Effects on Regio-/Stereoselectivity and Reactivity.","Journal of the American Chemical Society","2017","139","11","4075","4086","10.1021/jacs.6b12607","","","0.71073","MoKα","","0.0584","0.0568","","","0.1756","0.1772","","","","","","1.05","","","","has coordinates,has disorder","194741","2020-10-21","18:00:00",""
"4125887","6.886","0.003","14.27","0.006","12.665","0.006","90","","105.557","0.016","90","","1198.9","0.9","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 B2 F10 P2 -","- C20 H24 B2 F10 P2 -","- C40 H48 B4 F20 P4 -","2","0.5","","Giffin, Kaitie A.; Pua, Lorraine A.; Piotrkowski, Sarah; Gabidullin, Bulat M.; Korobkov, Ilia; Hughes, Russell P.; Baker, R. Tom","Generation of Hydrofluoronickelacycles from Trifluoroethylene and Ni(0): Ligand Effects on Regio-/Stereoselectivity and Reactivity.","Journal of the American Chemical Society","2017","139","11","4075","4086","10.1021/jacs.6b12607","","","0.71073","MoKα","","0.0662","0.0438","","","0.1002","0.1127","","","","","","1.027","","","","has coordinates,has disorder","194742","2020-10-21","18:00:00",""
"4125888","10.7635","0.0006","11.6514","0.0006","17.8407","0.0009","92.31","0.002","106.077","0.002","102.044","0.002","2091.09","0.19","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H67 F24 N8 P4 -","- C88 H67 F24 N8 P4 -","- C88 H67 F24 N8 P4 -","1","0.5","","Gong, Xirui; Young, Ryan M.; Hartlieb, Karel J.; Miller, Claire; Wu, Yilei; Xiao, Hai; Li, Peng; Hafezi, Nema; Zhou, Jiawang; Ma, Lin; Cheng, Tao; Goddard, 3rd, William A; Farha, Omar K.; Hupp, Joseph T.; Wasielewski, Michael R.; Stoddart, J. Fraser","Intramolecular Energy and Electron Transfer within a Diazaperopyrenium-Based Cyclophane.","Journal of the American Chemical Society","2017","139","11","4107","4116","10.1021/jacs.6b13223","","","1.54178","CuKα","","0.1318","0.116","","","0.3593","0.3886","","","","","","1.776","","","","has coordinates,has disorder","194743","2020-10-21","18:00:00",""
"4125889","18.5677","0.0002","31.2061","0.0008","26.9907","0.0003","90","","90","","90","","15639.1","0.5","120","","120","","","","","","","","","4","P n a a","-P 2ac 2bc","56","","","","- C144 H162 Au25 S18 -","- C144 H162 Au25 S18 -","- C576 H648 Au100 S72 -","4","0.5","","Antonello, Sabrina; Dainese, Tiziano; Pan, Fangfang; Rissanen, Kari; Maran, Flavio","Electrocrystallization of Monolayer-Protected Gold Clusters: Opening the Door to Quality, Quantity, and New Structures.","Journal of the American Chemical Society","2017","139","11","4168","4174","10.1021/jacs.7b00568","","x-ray","0.71073","MoKα","","0.0777","0.0678","","","0.1293","0.1333","","","","","","1.3","","","","has coordinates,has disorder","194744","2020-10-21","18:00:00",""
"4125890","16.988","0.0002","24.4379","0.0003","35.2401","0.0004","69.994","0.001","80.989","0.001","88.766","0.001","13569.4","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C90 H198 Au25 S18 -","- C90 H198 Au25 S18 -","- C360 H792 Au100 S72 -","4","2","","Antonello, Sabrina; Dainese, Tiziano; Pan, Fangfang; Rissanen, Kari; Maran, Flavio","Electrocrystallization of Monolayer-Protected Gold Clusters: Opening the Door to Quality, Quantity, and New Structures.","Journal of the American Chemical Society","2017","139","11","4168","4174","10.1021/jacs.7b00568","","x-ray","1.54184","CuKα","","0.0888","0.0771","","","0.2078","0.2227","","","","","","1.015","","","","has coordinates,has disorder","194745","2020-10-21","18:00:00",""
"4125891","8.265","0.0006","42.3212","0.0019","8.6657","0.0005","90","","117.963","0.008","90","","2677.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H39 I N2 O4 -","- C24 H39 I N2 O4 -","- C96 H156 I4 N8 O16 -","4","2","","Muñiz, Kilian; Barreiro, Laura; Romero, R Martín; Martínez, Claudio","Catalytic Asymmetric Diamination of Styrenes.","Journal of the American Chemical Society","2017","139","12","4354","4357","10.1021/jacs.7b01443","","","0.7107","MoKα","","0.1125","0.0685","","","0.1318","0.144","","","","","","1.025","","","","has coordinates","194746","2020-10-21","18:00:00",""
"4125892","11.4085","0.0005","12.0467","0.0004","12.3818","0.0005","90","","103.436","0.0016","90","","1655.11","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H47 I N2 O9 -","- C28 H47 I N2 O9 -","- C56 H94 I2 N4 O18 -","2","1","","Muñiz, Kilian; Barreiro, Laura; Romero, R Martín; Martínez, Claudio","Catalytic Asymmetric Diamination of Styrenes.","Journal of the American Chemical Society","2017","139","12","4354","4357","10.1021/jacs.7b01443","","","0.71073","MoKα","","0.0174","0.0167","","","0.041","0.0413","","","","","","1.099","","","","has coordinates,has disorder","194747","2020-10-21","18:00:00",""
"4125893","11.4214","0.0014","8.8776","0.001","13.2732","0.0013","90","","95.132","0.01","90","","1340.4","0.3","172.99","0.1","172.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Wang, Fang-Xin; Du, Ji-Yuan; Wang, Hui-Bin; Zhang, Peng-Lin; Zhang, Guo-Biao; Yu, Ke-Yin; Zhang, Xiang-Zhi; An, Xian-Tao; Cao, Ye-Xing; Fan, Chun-An","Total Synthesis of Lycopodium Alkaloids Palhinine A and Palhinine D.","Journal of the American Chemical Society","2017","139","12","4282","4285","10.1021/jacs.6b13401","","x-ray","0.71073","MoKα","","0.0835","0.0646","","","0.1603","0.1836","","","","","","1.07","","","","has coordinates","194748","2020-10-21","18:00:00",""
"4125894","5.7856","0.0008","13.4044","0.001","19.945","0.003","90","","90","","90","","1546.8","0.3","298","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 N3 O2 -","- C7 H9 N3 O2 -","- C56 H72 N24 O16 -","8","2","","Mitra, Shouvik; Sasmal, Himadri Sekhar; Kundu, Tanay; Kandambeth, Sharath; Illath, Kavya; Díaz Díaz, David; Banerjee, Rahul","Targeted Drug Delivery in Covalent Organic Nanosheets (CONs) via Sequential Postsynthetic Modification.","Journal of the American Chemical Society","2017","139","12","4513","4520","10.1021/jacs.7b00925","","","0.71073","MoKα","","0.1219","0.0765","","","0.1753","0.2065","","","","","","1.051","","","","has coordinates","194749","2020-10-21","18:00:00",""
"4125895","5.4473","0.0011","13.907","0.003","10.057","0.002","90","","102.69","0.02","90","","743.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 N3 O -","- C7 H9 N3 O -","- C28 H36 N12 O4 -","4","1","","Mitra, Shouvik; Sasmal, Himadri Sekhar; Kundu, Tanay; Kandambeth, Sharath; Illath, Kavya; Díaz Díaz, David; Banerjee, Rahul","Targeted Drug Delivery in Covalent Organic Nanosheets (CONs) via Sequential Postsynthetic Modification.","Journal of the American Chemical Society","2017","139","12","4513","4520","10.1021/jacs.7b00925","","x-ray","1.54184","CuKα","","0.1111","0.1022","","","0.2795","0.305","","","","","","1.191","","","","has coordinates","194750","2020-10-21","18:00:00",""
"4125896","18.8592","0.0013","16.9002","0.0012","8.2712","0.0006","90","","100.573","0.001","90","","2591.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H90 O6 -","- C56 H90 O6 -","- C112 H180 O12 -","2","0.5","","Ivanov, Maxim V.; Chebny, Vincent J.; Talipov, Marat R.; Rathore, Rajendra","Poly-p-hydroquinone Ethers: Isoenergetic Molecular Wires with Length-Invariant Oxidation Potentials and Cation Radical Excitation Energies.","Journal of the American Chemical Society","2017","139","12","4334","4337","10.1021/jacs.7b01226","","","0.71073","MoKα","","0.053","0.0445","","","0.1249","0.1311","","","","","","1.059","","","","has coordinates","194751","2020-10-21","18:00:00",""
"4125897","11.8364","0.0003","20.54","0.0006","20.7869","0.0006","90","","94.764","0.003","90","","5036.2","0.2","180","0.1","180","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H80 Li4 O4 Pd Si4 -","- C40 H80 Li4 O4 Pd Si4 -","- C160 H320 Li16 O16 Pd4 Si16 -","4","0.5","","Zhang, Yongliang; Wei, Junnian; Chi, Yue; Zhang, Xuan; Zhang, Wen-Xiong; Xi, Zhenfeng","Spiro Metallaaromatics of Pd, Pt, Rh: Synthesis and Characterization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02039","","","0.7107","MoKα","","0.0448","0.0322","","","0.0702","0.0764","","","","","","1.053","","","","has coordinates,has disorder","194907","2020-10-21","18:00:00",""
"4125898","12.0313","0.0004","22.2632","0.0007","19.4592","0.0008","90","","96.183","0.003","90","","5181.9","0.3","180","0.1","180","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H84 Li4 O4 Pd Si4 -","- C44 H84 Li4 O4 Pd Si4 -","- C176 H336 Li16 O16 Pd4 Si16 -","4","1","","Zhang, Yongliang; Wei, Junnian; Chi, Yue; Zhang, Xuan; Zhang, Wen-Xiong; Xi, Zhenfeng","Spiro Metallaaromatics of Pd, Pt, Rh: Synthesis and Characterization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02039","","","0.7107","MoKα","","0.0939","0.0507","","","0.0946","0.1103","","","","","","1.025","","","","has coordinates","194907","2020-10-21","18:00:00",""
"4125899","19.108","0.0008","10.045","0.0005","23.563","0.0009","90","","105.426","0.004","90","","4359.7","0.3","180.01","0.1","180.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4EtPd","","- C40 H72 Li4 O4 Pd -","- C40 H72 Li4 O4 Pd -","- C160 H288 Li16 O16 Pd4 -","4","1","","Zhang, Yongliang; Wei, Junnian; Chi, Yue; Zhang, Xuan; Zhang, Wen-Xiong; Xi, Zhenfeng","Spiro Metallaaromatics of Pd, Pt, Rh: Synthesis and Characterization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02039","","","0.71073","MoKα","","0.0687","0.0472","","","0.1123","0.1257","","","","","","1.023","","","","has coordinates","194907","2020-10-21","18:00:00",""
"4125900","11.8523","0.0002","20.4652","0.0004","20.7437","0.0004","90","","94.8849","0.0017","90","","5013.31","0.16","173","0.1","173","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H80 Li4 O4 Pt Si4 -","- C40 H80 Li4 O4 Pt Si4 -","- C160 H320 Li16 O16 Pt4 Si16 -","4","0.5","","Zhang, Yongliang; Wei, Junnian; Chi, Yue; Zhang, Xuan; Zhang, Wen-Xiong; Xi, Zhenfeng","Spiro Metallaaromatics of Pd, Pt, Rh: Synthesis and Characterization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02039","","x-ray","0.71073","MoKα","","0.02","0.0191","","","0.0445","0.0448","","","","","","1.064","","","","has coordinates,has disorder","194907","2020-10-21","18:00:00",""
"4125901","12.0308","0.0004","22.3313","0.0008","19.4728","0.0007","90","","96.039","0.003","90","","5202.6","0.3","180","0.1","180","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H84 Li4 O4 Pt Si4 -","- C44 H84 Li4 O4 Pt Si4 -","- C176 H336 Li16 O16 Pt4 Si16 -","4","1","","Zhang, Yongliang; Wei, Junnian; Chi, Yue; Zhang, Xuan; Zhang, Wen-Xiong; Xi, Zhenfeng","Spiro Metallaaromatics of Pd, Pt, Rh: Synthesis and Characterization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02039","","","0.7107","MoKα","","0.0374","0.0267","","","0.0583","0.0633","","","","","","1.056","","","","has coordinates","194907","2020-10-21","18:00:00",""
"4125902","12.0164","0.0008","20.6077","0.0014","20.6174","0.0015","90","","92.763","0.006","90","","5099.6","0.6","180","0.1","180","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H80 Li5 O4 Rh Si4 -","- C40 H80 Li5 O4 Rh Si4 -","- C160 H320 Li20 O16 Rh4 Si16 -","4","0.5","","Zhang, Yongliang; Wei, Junnian; Chi, Yue; Zhang, Xuan; Zhang, Wen-Xiong; Xi, Zhenfeng","Spiro Metallaaromatics of Pd, Pt, Rh: Synthesis and Characterization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02039","","","0.7107","MoKα","","0.114","0.0862","","","0.1856","0.1992","","","","","","1.132","","","","has coordinates","194907","2020-10-21","18:00:00",""
"4125903","15.473","0.003","6.5866","0.0013","19.166","0.004","90","","92.601","0.005","90","","1951.3","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H20 F3 N O5 S -","- C17 H20 F3 N O5 S -","- C68 H80 F12 N4 O20 S4 -","4","2","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","0.71073","MoKα","","0.0707","0.0541","","","0.1183","0.1279","","","","","","1.023","","","","has coordinates","197435","2020-10-21","18:00:00",""
"4125904","5.2899","0.0005","9.3662","0.0009","29.113","0.003","90","","90","","90","","1442.4","0.2","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 F3 N O3 S -","- C13 H16 F3 N O3 S -","- C52 H64 F12 N4 O12 S4 -","4","1","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","0.71073","MoKα","","0.0543","0.0423","","","0.0934","0.0991","","","","","","1.039","","","","has coordinates","197435","2020-10-21","18:00:00",""
"4125905","4.99","0.0001","10.5256","0.0002","29.4272","0.0007","90","","90","","90","","1545.6","0.06","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 F3 N O3 S -","- C14 H17 F3 N O3 S -","- C56 H68 F12 N4 O12 S4 -","4","1","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","1.54178","CuKα","","0.029","0.0282","","","0.0787","0.0793","","","","","","1.013","","","","has coordinates","197435","2020-10-21","18:00:00",""
"4125906","8.2974","0.0001","8.2974","0.0001","62.6514","0.0012","90","","90","","90","","4313.35","0.11","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C52 H48 O4 P2 -","- C52 H48 O4 P2 -","- C208 H192 O16 P8 -","4","0.5","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","1.54178","CuKα","","0.0535","0.0419","","","0.1006","0.1086","","","","","","1.034","","","","has coordinates","197435","2020-10-21","18:00:00",""
"4125907","8.1168","0.0007","9.4474","0.0009","29.166","0.003","90","","90","","90","","2236.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 O3 P -","- C26 H25 O3 P -","- C104 H100 O12 P4 -","4","1","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","0.71073","MoKα","","0.0556","0.047","","","0.1177","0.1236","","","","","","1.025","","","","has coordinates","197435","2020-10-21","18:00:00",""
"4125908","9.6429","0.0002","18.4345","0.0004","20.8434","0.0004","90","","90","","90","","3705.17","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 N3 S2 -","- C16 H27 N3 S2 -","- C128 H216 N24 S16 -","8","2","","Rombola, Michael; Sumaria, Chintan S.; Montgomery, Thomas D.; Rawal, Viresh H.","Development of Chiral, Bifunctional Thiosquaramides: Enantioselective Michael Additions of Barbituric Acids to Nitroalkenes.","Journal of the American Chemical Society","2017","139","15","5297","5300","10.1021/jacs.7b01115","","","1.54178","CuKα","","0.028","0.0255","","","0.0606","0.062","","","","","","0.962","","","","has coordinates","197436","2020-10-21","18:00:00",""
"4125909","38.284","0.005","38.284","0.005","47.377","0.009","90","","90","","120","","60136","16","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C136.67 H109.67 B3 Cl5 N3 -","- C136.667 H109.667 B3 Cl5 N3 -","- C2460 H1974 B54 Cl90 N54 -","18","0.5","","Marinelli, Davide; Fasano, Francesco; Najjari, Btissam; Demitri, Nicola; Bonifazi, Davide","Borazino-Doped Polyphenylenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01477","","","0.7","Synchrotron","","0.1551","0.1438","","","0.3349","0.3418","","","","","","1.081","","","","has coordinates,has disorder","195216","2020-10-21","18:00:00",""
"4125910","28.0407","0.0004","14.5457","0.0002","14.2999","0.0002","90","","96.8021","0.0009","90","","5791.47","0.14","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H98 B2 F8 N4 O P4 Ru2 -","- C44 H98 B2 F8 N4 O P4 Ru2 -","- C176 H392 B8 F32 N16 O4 P16 Ru8 -","4","0.5","","Lindley, Brian M.; Bruch, Quinton J.; White, Peter S.; Hasanayn, Faraj; Miller, Alexander J. M.","Ammonia Synthesis from a Pincer Ruthenium Nitride via Metal-Ligand Cooperative Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2017","139","15","5305","5308","10.1021/jacs.7b01323","","","1.54178","CuKα","","0.0618","0.0471","","","0.1091","0.1177","","","","","","1.05","","","","has coordinates,has disorder","197437","2020-10-21","18:00:00",""
"4125911","9.2072","0.0002","13.6297","0.0003","16.4432","0.0003","113.178","0.0013","100.015","0.0015","92.847","0.0015","1852.06","0.07","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C28 H53 B F4 N2 O3 P2 Ru -","- C28 H53 B F4 N2 O3 P2 Ru -","- C56 H106 B2 F8 N4 O6 P4 Ru2 -","2","1","","Lindley, Brian M.; Bruch, Quinton J.; White, Peter S.; Hasanayn, Faraj; Miller, Alexander J. M.","Ammonia Synthesis from a Pincer Ruthenium Nitride via Metal-Ligand Cooperative Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2017","139","15","5305","5308","10.1021/jacs.7b01323","","","1.54178","CuKα","","0.0402","0.0334","","","0.081","0.0842","","","","","","1.035","","","","has coordinates","197437","2020-10-21","18:00:00",""
"4125912","24.2286","0.0012","5.0539","0.0003","27.8102","0.0014","90","","101.601","0.004","90","","3335.8","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C37 H48 N2 O6 -","- C37 H48 N2 O6 -","- C148 H192 N8 O24 -","4","1","","Sato, Michio; Dander, Jacob E.; Sato, Chizuru; Hung, Yiu-Sun; Gao, Shu-Shan; Tang, Man-Cheng; Hang, Leibniz; Winter, Jaclyn M.; Garg, Neil K.; Watanabe, Kenji; Tang, Yi","Collaborative Biosynthesis of Maleimide- and Succinimide-Containing Natural Products by Fungal Polyketide Megasynthases.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02432","","","1.54178","CuKα","","0.0526","0.0419","","","0.0987","0.102","","","","","","1.041","","","","has coordinates,has disorder","195242","2020-10-21","18:00:00",""
"4125913","16.4663","0.0007","17.045","0.0006","16.9234","0.0007","90","","117.894","0.002","90","","4198","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","TCNE-05","","","- C40.5 H10.5 B Cl1.5 F12 N11 -","- C40.5 H10.5 B Cl1.5 F12 N11 -","- C162 H42 B4 Cl6 F48 N44 -","4","1","","Winterfeld, Kim A.; Lavarda, Giulia; Guilleme, Julia; Sekita, Michael; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni","Subphthalocyanines Axially Substituted with a Tetracyanobuta-1,3-diene-Aniline Moiety: Synthesis, Structure, and Physicochemical Properties.","Journal of the American Chemical Society","2017","139","15","5520","5529","10.1021/jacs.7b01460","","","0.71073","","","0.24","0.1031","","","0.284","0.37","","","","","","1.051","","","","has coordinates","197438","2020-10-21","18:00:00",""
"4125914","13.242","0.006","11.996","0.006","12.795","0.006","90","","98.032","0.009","90","","2012.6","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H31 Cl Ir N3 -","- C19 H31 Cl Ir N3 -","- C76 H124 Cl4 Ir4 N12 -","4","1","","Xu, Yan; Young, Michael C.; Dong, Guangbin","Catalytic Coupling between Unactivated Aliphatic C-H Bonds and Alkynes via a Metal-Hydride Pathway.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02020","","","0.71073","MoKα","","0.05","0.0382","","","0.0827","0.0908","","","","","","1.03","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4125915","14.6485","0.0014","15.5804","0.0015","27.395","0.003","102.605","0.002","97.567","0.002","99.053","0.002","5935.6","1","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H135 Au20.65 Cu0.35 S15 -","- C60 H135 Au20.665 Cu0.335 S15 -","- C120 H270 Au41.33 Cu0.67 S30 -","2","1","","Yang, Sha; Chai, Jinsong; Song, Yongbo; Fan, Jiqiang; Chen, Tao; Wang, Shuxin; Yu, Haizhu; Li, Xiaowu; Zhu, Manzhou","In Situ Two-Phase Ligand Exchange: A New Method for the Synthesis of Alloy Nanoclusters with Precise Atomic Structures.","Journal of the American Chemical Society","2017","139","16","5668","5671","10.1021/jacs.7b00668","","","0.71073","MoKα","","0.1169","0.0867","","","0.2134","0.2362","","","","","","1.007","","","","has coordinates,has disorder","197426","2020-10-21","18:00:00",""
"4125916","24.4258","0.0011","13.1097","0.0006","8.6242","0.0004","90","","91.627","0.002","90","","2760.5","0.2","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Cu2glu2Bpa]n","","- C22 H24 Cu2 N2 O8 -","- C22 H24 Cu2 N2 O8 -","- C88 H96 Cu8 N8 O32 -","4","0.5","","Bezuidenhout, Charl X.; Smith, Vincent J.; Esterhuysen, Catharine; Barbour, Leonard J.","Solvent- and Pressure-Induced Phase Changes in Two 3D Copper Glutarate-Based Metal-Organic Frameworks via Glutarate (+gauche ⇄ -gauche) Conformational Isomerism.","Journal of the American Chemical Society","2017","139","16","5923","5929","10.1021/jacs.7b01764","","","0.71073","MoKα","","0.028","0.0265","","","0.0669","0.0678","","","","","","1.075","","","","has coordinates,has disorder","197420","2020-10-21","18:00:00",""
"4125917","24.556","0.002","12.9794","0.0012","8.6609","0.0008","90","","91.796","0.002","90","","2759.1","0.4","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11.5 H12 Cu N O5.44 -","- C11.4994 H12 Cu N O5.44025 -","- C91.9952 H96 Cu8 N8 O43.522 -","8","1","","Bezuidenhout, Charl X.; Smith, Vincent J.; Esterhuysen, Catharine; Barbour, Leonard J.","Solvent- and Pressure-Induced Phase Changes in Two 3D Copper Glutarate-Based Metal-Organic Frameworks via Glutarate (+gauche ⇄ -gauche) Conformational Isomerism.","Journal of the American Chemical Society","2017","139","16","5923","5929","10.1021/jacs.7b01764","","","0.71073","MoKα","","0.0437","0.0371","","","0.1078","0.1114","","","","","","1.118","","","","has coordinates,has disorder","197420","2020-10-21","18:00:00",""
"4125918","23.72","0.009","11.8","0.004","9.239","0.004","90","","90.476","0.004","90","","2585.9","1.7","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Cu2glu2Bpa]n_XH2O","","- C44 H48 Cu4 N4 O16 -","- C44 H48 Cu4 N4 O16 -","- C88 H96 Cu8 N8 O32 -","2","0.25","","Bezuidenhout, Charl X.; Smith, Vincent J.; Esterhuysen, Catharine; Barbour, Leonard J.","Solvent- and Pressure-Induced Phase Changes in Two 3D Copper Glutarate-Based Metal-Organic Frameworks via Glutarate (+gauche ⇄ -gauche) Conformational Isomerism.","Journal of the American Chemical Society","2017","139","16","5923","5929","10.1021/jacs.7b01764","","","0.71073","MoKα","","0.0875","0.0482","","","0.0808","0.091","","","","","","0.949","","","","has coordinates","197420","2020-10-21","18:00:00",""
"4125919","24.556","0.002","12.9794","0.0012","8.6609","0.0008","90","","91.796","0.002","90","","2759.1","0.4","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Cu2glu2Bpa]n","","- C11 H12 Cu N O4 -","- C11 H12 Cu N O4 -","- C88 H96 Cu8 N8 O32 -","8","1","","Bezuidenhout, Charl X.; Smith, Vincent J.; Esterhuysen, Catharine; Barbour, Leonard J.","Solvent- and Pressure-Induced Phase Changes in Two 3D Copper Glutarate-Based Metal-Organic Frameworks via Glutarate (+gauche ⇄ -gauche) Conformational Isomerism.","Journal of the American Chemical Society","2017","139","16","5923","5929","10.1021/jacs.7b01764","","","0.71073","MoKα","","0.0347","0.0293","","","0.0792","0.0814","","","","","","1.076","","","","has coordinates","197420","2020-10-21","18:00:00",""
"4125920","27.255","0.009","11.819","0.004","9.148","0.003","90","","90","","90","","2946.8","1.7","100","2","100.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24.61 H26 Cu2 N2 O11.23 -","- C24.6147 H26 Cu2 N2 O11.2294 -","- C98.4588 H104 Cu8 N8 O44.9176 -","4","0.5","","Bezuidenhout, Charl X.; Smith, Vincent J.; Esterhuysen, Catharine; Barbour, Leonard J.","Solvent- and Pressure-Induced Phase Changes in Two 3D Copper Glutarate-Based Metal-Organic Frameworks via Glutarate (+gauche ⇄ -gauche) Conformational Isomerism.","Journal of the American Chemical Society","2017","139","16","5923","5929","10.1021/jacs.7b01764","","","0.71073","MoKα","","0.0609","0.0385","","","0.0895","0.0995","","","","","","1.044","","","","has coordinates,has disorder","197420","2020-10-21","18:00:00",""
"4125921","12.9025","0.0011","27.615","0.002","8.5728","0.0007","90","","90","","90","","3054.5","0.4","100","2","100.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14.5 H19 Cu N O5 -","- C14.5 H19 Cu N O5 -","- C116 H152 Cu8 N8 O40 -","8","1","","Bezuidenhout, Charl X.; Smith, Vincent J.; Esterhuysen, Catharine; Barbour, Leonard J.","Solvent- and Pressure-Induced Phase Changes in Two 3D Copper Glutarate-Based Metal-Organic Frameworks via Glutarate (+gauche ⇄ -gauche) Conformational Isomerism.","Journal of the American Chemical Society","2017","139","16","5923","5929","10.1021/jacs.7b01764","","","0.71073","MoKα","","0.0254","0.0228","","","0.057","0.0583","","","","","","1.05","","","","has coordinates","197420","2020-10-21","18:00:00",""
"4125922","14.5065","0.0006","15.758","0.0007","19.4","0.0007","91.379","0.003","98.913","0.003","90.225","0.003","4379.8","0.3","180","2","180.15","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H62 O9 Si2 -","- C42 H62 O9 Si2 -","- C168 H248 O36 Si8 -","4","2","","Liu, Dong-Dong; Sun, Tian-Wen; Wang, Kuang-Yu; Lu, Yong; Zhang, Su-Lei; Li, Yuan-He; Jiang, Yan-Long; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Lancifodilactone G Acetate.","Journal of the American Chemical Society","2017","139","16","5732","5735","10.1021/jacs.7b02561","","","0.71073","MoKα","","0.111","0.0892","","","0.2589","0.2753","","","","","","1.041","","","","has coordinates,has disorder","197422","2020-10-21","18:00:00",""
"4125923","13.8165","0.0011","16.1678","0.0012","17.3578","0.0017","80.09","0.007","81.32","0.007","77.271","0.007","3699.8","0.6","180.01","0.1","180.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C31 H38 O11 -","- C31 H38 O11 -","- C124 H152 O44 -","4","2","","Liu, Dong-Dong; Sun, Tian-Wen; Wang, Kuang-Yu; Lu, Yong; Zhang, Su-Lei; Li, Yuan-He; Jiang, Yan-Long; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Lancifodilactone G Acetate.","Journal of the American Chemical Society","2017","139","16","5732","5735","10.1021/jacs.7b02561","","","0.71073","MoKα","","0.179","0.0882","","","0.1817","0.2179","","","","","","0.834","","","","has coordinates","197422","2020-10-21","18:00:00",""
"4125924","11.253","0.003","22.067","0.006","16.144","0.004","90","","109.818","0.004","90","","3771.4","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 O6 P2 S2 -","- C42 H42 O6 P2 S2 -","- C168 H168 O24 P8 S8 -","4","1","","Furukawa, Shunsuke; Suda, Yuki; Kobayashi, Junji; Kawashima, Takayuki; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Saito, Masaichi","Triphosphasumanene Trisulfide: High Out-of-Plane Anisotropy and Janus-Type π-Surfaces.","Journal of the American Chemical Society","2017","139","16","5787","5792","10.1021/jacs.6b12119","","","0.71073","MoKα","","0.1267","0.054","","","0.102","0.1259","","","","","","0.96","","","","has coordinates","197421","2020-10-21","18:00:00",""
"4125925","9.1387","0.001","20.645","0.002","28.401","0.003","90","","91.911","0.001","90","","5355.4","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H47 Cl6 O6 P3 S3 -","- C50 H47 Cl6 O6 P3 S3 -","- C200 H188 Cl24 O24 P12 S12 -","4","1","","Furukawa, Shunsuke; Suda, Yuki; Kobayashi, Junji; Kawashima, Takayuki; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Saito, Masaichi","Triphosphasumanene Trisulfide: High Out-of-Plane Anisotropy and Janus-Type π-Surfaces.","Journal of the American Chemical Society","2017","139","16","5787","5792","10.1021/jacs.6b12119","","","0.71073","MoKα","","0.0748","0.0574","","","0.1475","0.1572","","","","","","1.04","","","","has coordinates,has disorder","197421","2020-10-21","18:00:00",""
"4125926","8.3369","0.0008","15.8467","0.0015","16.1176","0.0016","113.598","0.001","100.688","0.001","90.889","0.001","1907.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 O6 P2 S2 -","- C42 H42 O6 P2 S2 -","- C84 H84 O12 P4 S4 -","2","1","","Furukawa, Shunsuke; Suda, Yuki; Kobayashi, Junji; Kawashima, Takayuki; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Saito, Masaichi","Triphosphasumanene Trisulfide: High Out-of-Plane Anisotropy and Janus-Type π-Surfaces.","Journal of the American Chemical Society","2017","139","16","5787","5792","10.1021/jacs.6b12119","","","0.71073","MoKα","","0.0367","0.032","","","0.0826","0.0854","","","","","","1.036","","","","has coordinates,has disorder","197421","2020-10-21","18:00:00",""
"4125927","12.526","0.002","5.7575","0.0009","18.983","0.003","90","","109.135","0.003","90","","1293.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N O3 S -","- C30 H29 N O3 S -","- C60 H58 N2 O6 S2 -","2","1","","Yang, Song; Rui, Kang-Hua; Tang, Xiang-Ying; Xu, Qin; Shi, Min","Rhodium/Silver Synergistic Catalysis in Highly Enantioselective Cycloisomerization/Cross Coupling of Keto-Vinylidenecyclopropanes with Terminal Alkynes.","Journal of the American Chemical Society","2017","139","16","5957","5964","10.1021/jacs.7b02027","","","0.71073","MoKα","","0.0591","0.0486","","","0.1096","0.1155","","","","","","1.019","","","","has coordinates","197425","2020-10-21","18:00:00",""
"4125928","9.8296","0.0013","13.4413","0.0017","22.608","0.003","90","","94.433","0.003","90","","2978.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 N O3 S -","- C30 H29 N O3 S -","- C120 H116 N4 O12 S4 -","4","1","","Yang, Song; Rui, Kang-Hua; Tang, Xiang-Ying; Xu, Qin; Shi, Min","Rhodium/Silver Synergistic Catalysis in Highly Enantioselective Cycloisomerization/Cross Coupling of Keto-Vinylidenecyclopropanes with Terminal Alkynes.","Journal of the American Chemical Society","2017","139","16","5957","5964","10.1021/jacs.7b02027","","","0.71073","MoKα","","0.1107","0.0682","","","0.1582","0.1781","","","","","","1.042","","","","has coordinates","197425","2020-10-21","18:00:00",""
"4125929","9.3016","0.0012","12.2465","0.0015","16.041","0.002","76.176","0.003","83.628","0.003","83.184","0.003","1755.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H41 N O4 S -","- C42 H41 N O4 S -","- C84 H82 N2 O8 S2 -","2","1","","Yang, Song; Rui, Kang-Hua; Tang, Xiang-Ying; Xu, Qin; Shi, Min","Rhodium/Silver Synergistic Catalysis in Highly Enantioselective Cycloisomerization/Cross Coupling of Keto-Vinylidenecyclopropanes with Terminal Alkynes.","Journal of the American Chemical Society","2017","139","16","5957","5964","10.1021/jacs.7b02027","","","0.71073","MoKα","","0.0917","0.0642","","","0.1573","0.176","","","","","","1.061","","","","has coordinates","197425","2020-10-21","18:00:00",""
"4125930","10.58","0.002","10.675","0.002","15.627","0.004","108.388","0.005","92.418","0.003","90.015","0.004","1673.2","0.6","298","2","298","2","","","","","","","","7","P 1","P 1","1","","","","- C34 H40 B N4 O4 P S -","- C34 H40 B N4 O4 P S -","- C68 H80 B2 N8 O8 P2 S2 -","2","2","","Lin, Yi-Chun; Hatzakis, Emmanuel; McCarthy, Sean M.; Reichl, Kyle D.; Lai, Ting-Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","P-N Cooperative Borane Activation and Catalytic Hydroboration by a Distorted Phosphorous Triamide Platform.","Journal of the American Chemical Society","2017","139","16","6008","6016","10.1021/jacs.7b02512","","","0.71073","MoKα","","0.1176","0.0879","","","0.1906","0.2168","","","","","","1.111","","","","has coordinates","197423","2020-10-21","18:00:00",""
"4125931","10.8569","0.0003","7.6285","0.0002","19.3401","0.0005","90","","101.548","0.001","90","","1569.36","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ST-6-181","","","- C18 H16 Cl F3 O -","- C18 H16 Cl F3 O -","- C72 H64 Cl4 F12 O4 -","4","1","","Thapa, Surendra; Basnet, Prakash; Giri, Ramesh","Copper-Catalyzed Dicarbofunctionalization of Unactivated Olefins by Tandem Cyclization/Cross-Coupling.","Journal of the American Chemical Society","2017","139","16","5700","5703","10.1021/jacs.7b01922","","","0.71073","MoKα","","0.0567","0.0499","","","0.123","0.1276","","","","","","1.063","","","","has coordinates,has disorder","197424","2020-10-21","18:00:00",""
"4125932","22.11","0.004","8.8384","0.0013","12.3459","0.0019","90","","96.987","0.006","90","","2394.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl3 F2 O4 -","- C27 H17 Cl3 F2 O4 -","- C108 H68 Cl12 F8 O16 -","4","1","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","","0.71073","MoKα","","0.0638","0.0473","","","0.1145","0.1234","","","","","","1.067","","","","has coordinates","197407","2020-10-21","18:00:00",""
"4125933","39.8785","0.0003","39.8785","0.0003","39.8785","0.0003","90","","90","","90","","63418.6","0.8","100","2","100","2","","","","","","","","4","F d -3 m","-F 4vw 2vw 3","227","","","","- C168 H88 O32 Zr6 -","- C168 H60 O32 Zr6 -","- C1344 H480 O256 Zr48 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.1042","0.0744","","","0.2051","0.2237","","","","","","1.054","","","","has coordinates","197407","2020-10-21","18:00:00",""
"4125934","39.867","0.002","39.867","0.002","39.867","0.002","90","","90","","90","","63364","6","100","2","100","2","","","","","","","","6","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H64 Hf6 N12 O32 S6 -","- C144 H60 Hf6 N12 O32 S6 -","- C1152 H480 Hf48 N96 O256 S48 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.0793","0.0427","","","0.1058","0.1192","","","","","","1.02","","","","has coordinates,has disorder","197407","2020-10-21","18:00:00",""
"4125935","39.8364","0.0002","39.8364","0.0002","39.8364","0.0002","90","","90","","90","","63217.9","0.5","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H64 F12 O32 Zr6 -","- C144 H60 F12 O32 Zr6 -","- C1152 H480 F96 O256 Zr48 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.0679","0.0562","","","0.1434","0.1511","","","","","","1.077","","","","has coordinates,has disorder","197407","2020-10-21","18:00:00",""
"4125936","39.7405","0.0002","39.7405","0.0002","39.7405","0.0002","90","","90","","90","","62762.5","0.5","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H64 F12 Hf6 O32 -","- C144 H60 F12 Hf6 O32 -","- C1152 H480 F96 Hf48 O256 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.0536","0.0429","","","0.0962","0.1009","","","","","","1.056","","","","has coordinates,has disorder","197407","2020-10-21","18:00:00",""
"4125937","28.151","0.0002","28.1718","0.0003","39.9493","0.0004","90","","90","","90","","31682.4","0.5","99.9","0.4","99.9","0.4","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C156 H96 O32 Zr6 -","- C156 H92 O32 Zr6 -","- C624 H368 O128 Zr24 -","4","0.25","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","1.54184","CuKα","","0.0938","0.0886","","","0.2499","0.2547","","","","","","1.048","","","","has coordinates","197407","2020-10-21","18:00:00",""
"4125938","39.7709","0.0002","39.7709","0.0002","39.7709","0.0002","90","","90","","90","","62906.6","0.5","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H64 F12 Hf6 O32 -","- C144 H60 F12 Hf6 O32 -","- C1152 H480 F96 Hf48 O256 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.0643","0.0517","","","0.1215","0.1269","","","","","","1.112","","","","has coordinates,has disorder","197407","2020-10-21","18:00:00",""
"4125939","43.847","0.0008","7.6507","0.0001","16.1916","0.0003","90","","97.673","0.002","90","","5383","0.16","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 B N3 O4 S -","- C26 H32 B N3 O4 S -","- C208 H256 B8 N24 O32 S8 -","8","1","","Ren, Shi-Chao; Zhang, Feng-Lian; Qi, Jing; Huang, Yun-Shuai; Xu, Ai-Qing; Yan, Hong-Yi; Wang, Yi-Feng","Radical Borylation/Cyclization Cascade of 1,6-Enynes for the Synthesis of Boron-Handled Hetero- and Carbocycles.","Journal of the American Chemical Society","2017","139","17","6050","6053","10.1021/jacs.7b01889","","","1.54184","CuKα","","0.0904","0.0708","","","0.1931","0.2084","","","","","","1.071","","","","has coordinates","197408","2020-10-21","18:00:00",""
"4125940","9.4659","0.0001","8.507","0.0001","16.685","0.0002","90","","104.068","0.001","90","","1303.29","0.03","292","2","292","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H34 B N3 O2 S -","- C27 H34 B N3 O2 S -","- C54 H68 B2 N6 O4 S2 -","2","1","","Ren, Shi-Chao; Zhang, Feng-Lian; Qi, Jing; Huang, Yun-Shuai; Xu, Ai-Qing; Yan, Hong-Yi; Wang, Yi-Feng","Radical Borylation/Cyclization Cascade of 1,6-Enynes for the Synthesis of Boron-Handled Hetero- and Carbocycles.","Journal of the American Chemical Society","2017","139","17","6050","6053","10.1021/jacs.7b01889","","","1.54184","CuKα","","0.0447","0.0441","","","0.1281","0.1291","","","","","","1.075","","","","has coordinates","197408","2020-10-21","18:00:00",""
"4125941","14.0382","0.0004","18.4396","0.0006","22.5599","0.0007","90","","105.851","0.002","90","","5617.8","0.3","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 B N3 O2 S -","- C24 H30 B N3 O2 S -","- C192 H240 B8 N24 O16 S8 -","8","1","","Ren, Shi-Chao; Zhang, Feng-Lian; Qi, Jing; Huang, Yun-Shuai; Xu, Ai-Qing; Yan, Hong-Yi; Wang, Yi-Feng","Radical Borylation/Cyclization Cascade of 1,6-Enynes for the Synthesis of Boron-Handled Hetero- and Carbocycles.","Journal of the American Chemical Society","2017","139","17","6050","6053","10.1021/jacs.7b01889","","","1.54178","CuKα","","0.0774","0.0632","","","0.1669","0.1779","","","","","","1.001","","","","has coordinates,has disorder","197408","2020-10-21","18:00:00",""
"4125942","23.0722","0.0001","23.0722","0.0001","18.8821","0.0002","90","","90","","90","","10051.4","0.12","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-76","","","- C99 H48 F24 N2 O32 Zr6 -","- C99 H48 F24 N2 O32 Zr6 -","- C198 H96 F48 N4 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54184","CuKα","","0.064","0.0575","","","0.1807","0.1879","","","","","","1.091","","","","has coordinates,has disorder","195575","2020-10-21","18:00:00",""
"4125943","23.0978","0.0002","23.0978","0.0002","18.8599","0.0005","90","","90","","90","","10061.9","0.3","173","2","173","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","LIFM-74","","","- C99 H46 F24 O34 Zr6 -","- C99 H46 F24 O34 Zr6 -","- C198 H92 F48 O68 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54178","CuKα","","0.093","0.0762","","","0.2129","0.2248","","","","","","1.072","","","","has coordinates,has disorder","195576","2020-10-21","18:00:00",""
"4125944","23.05","0.0002","23.05","0.0002","18.8368","0.0003","90","","90","","90","","10008","0.2","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-75","","","- C98 H45 F24 N O34 Zr6 -","- C98 H45 F24 N O34 Zr6 -","- C196 H90 F48 N2 O68 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54178","CuKα","","0.0932","0.0742","","","0.2185","0.235","","","","","","1.069","","","","has coordinates,has disorder","195577","2020-10-21","18:00:00",""
"4125945","23.0716","0.0002","23.0716","0.0002","18.8222","0.0003","90","","90","","90","","10019","0.2","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-77","","","- C98 H47 F24 N3 O32 Zr6 -","- C98 H47 F24 N3 O32 Zr6 -","- C196 H94 F48 N6 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54184","CuKα","","0.072","0.0619","","","0.1985","0.2141","","","","","","1.082","","","","has coordinates,has disorder","195578","2020-10-21","18:00:00",""
"4125946","23.0922","0.0001","23.0922","0.0001","18.8684","0.0002","90","","90","","90","","10061.6","0.12","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-79","","","- C98 H46 F24 N2 O32 Zr6 -","- C98 H47 F24 N2 O32 Zr6 -","- C196 H94 F48 N4 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54178","CuKα","","0.0602","0.0535","","","0.172","0.1772","","","","","","1.107","","","","has coordinates,has disorder","195579","2020-10-21","18:00:00",""
"4125947","23.1592","0.0002","23.1592","0.0002","18.7447","0.0003","90","","90","","90","","10053.7","0.2","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-80","","","- C96 H43 F24 N3 O32 Zr6 -","- C96 H43 F24 N3 O32 Zr6 -","- C192 H86 F48 N6 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54178","CuKα","","0.0939","0.0733","","","0.1907","0.206","","","","","","1.069","","","","has coordinates,has disorder","195580","2020-10-21","18:00:00",""
"4125948","23.0991","0.0002","23.0991","0.0002","18.8485","0.0004","90","","90","","90","","10057","0.2","173","2","173","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","LIFM-70","","","- C102 H46 F30 O32 Zr6 -","- C102 H46 F30 O32 Zr6 -","- C204 H92 F60 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54178","CuKα","","0.0992","0.0889","","","0.2661","0.2846","","","","","","1.244","","","","has coordinates,has disorder","195581","2020-10-21","18:00:00",""
"4125949","23.126","0.0001","23.126","0.0001","18.8542","0.0002","90","","90","","90","","10083.5","0.12","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-72","","","- C100 H43 F30 N O32 Zr6 -","- C100 H43 F30 N O32 Zr6 -","- C200 H86 F60 N2 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54184","CuKα","","0.0664","0.0582","","","0.1822","0.1927","","","","","","1.04","","","","has coordinates,has disorder","195582","2020-10-21","18:00:00",""
"4125950","23.0135","0.0003","23.0135","0.0003","18.9024","0.0006","90","","90","","90","","10011.1","0.4","173","2","173","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","LIFM-83","","","- C100 H48 F24 O32 Zr6 -","- C100 H48 F24 O32 Zr6 -","- C200 H96 F48 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54184","CuKα","","0.112","0.0859","","","0.2546","0.2768","","","","","","1.073","","","","has coordinates,has disorder","195583","2020-10-21","18:00:00",""
"4125951","23.1163","0.0003","23.1163","0.0003","18.789","0.0013","90","","90","","90","","10040.2","0.7","173","2","173","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","LIFM-86","","","- C100 H40 F32 O32 Zr6 -","- C100 H40 F32 O32 Zr6 -","- C200 H80 F64 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54178","CuKα","","0.1459","0.1155","","","0.3083","0.3374","","","","","","1.065","","","","has coordinates,has disorder","195584","2020-10-21","18:00:00",""
"4125952","23.0639","0.0001","23.0639","0.0001","18.8246","0.0003","90","","90","","90","","10013.6","0.17","173","2","173","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","LIFM-82","","","- C101 H50 F24 O32 Zr6 -","- C101 H50 F24 O32 Zr6 -","- C202 H100 F48 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54178","CuKα","","0.0978","0.0755","","","0.2221","0.2412","","","","","","1.049","","","","has coordinates,has disorder","195585","2020-10-21","18:00:00",""
"4125953","23.1271","0.0003","23.1271","0.0003","18.7459","0.0005","90","","90","","90","","10026.5","0.3","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-84","","","- C97 H44 F24 N2 O33 Zr6 -","- C97 H44 F24 N2 O33 Zr6 -","- C194 H88 F48 N4 O66 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54178","CuKα","","0.0881","0.0692","","","0.1876","0.1992","","","","","","1.088","","","","has coordinates,has disorder","195586","2020-10-21","18:00:00",""
"4125954","23.1014","0.0001","23.1014","0.0001","18.8999","0.0003","90","","90","","90","","10086.4","0.17","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-78","","","- C100 H49 F24 N O32 Zr6 -","- C100 H49 F24 N O32 Zr6 -","- C200 H98 F48 N2 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54178","CuKα","","0.064","0.0566","","","0.1826","0.1916","","","","","","1.124","","","","has coordinates,has disorder","195587","2020-10-21","18:00:00",""
"4125955","34.9195","0.0003","34.9195","0.0003","12.0592","0.0001","90","","90","","90","","14704.6","0.2","173","2","173","2","","","","","","","","5","P 42/n c m","-P 4ac 2ac","138","LIFM-28np","","","- C64 H24 F24 O32 Zr6 -","- C64 H24 F24 O32 Zr6 -","- C256 H96 F96 O128 Zr24 -","4","","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54184","CuKα","","0.0922","0.0883","","","0.2443","0.2476","","","","","","1.083","","","","has coordinates,has disorder","195588","2020-10-21","18:00:00",""
"4125956","24.2603","0.0003","24.2603","0.0003","15.1465","0.0006","90","","90","","90","","8914.7","0.4","173","2","173","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","LIFM-28lp","","","- C64 H24 F24 O32 Zr6 -","- C64 H24 F24 O32 Zr6 -","- C128 H48 F48 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54184","CuKα","","0.0911","0.0836","","","0.247","0.253","","","","","","1.104","","","","has coordinates,has disorder","195589","2020-10-21","18:00:00",""
"4125957","23.0855","0.0002","23.0855","0.0002","18.8784","0.0002","90","","90","","90","","10061.1","0.16","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-85","","","- C99 H46 F24 N4 O32 Zr6 -","- C99 H46 F24 N4 O32 Zr6 -","- C198 H92 F48 N8 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54184","CuKα","","0.0735","0.0612","","","0.1843","0.1979","","","","","","1.085","","","","has coordinates,has disorder","195590","2020-10-21","18:00:00",""
"4125958","23.1172","0.0002","23.1172","0.0002","18.7584","0.0002","90","","90","","90","","10024.6","0.16","173","2","173","2","","","","","","","","8","P 42/m m c","-P 4c 2","131","LIFM-81","","","- C97 H44 Cl2 F24 N2 O32 Pd Zr6 -","- C97 H44 Cl2 F24.004 N2 O32 Pd Zr6 -","- C194 H88 Cl4 F48.008 N4 O64 Pd2 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54184","CuKα","","0.09","0.0809","","","0.2326","0.245","","","","","","1.059","","","","has coordinates,has disorder","195591","2020-10-21","18:00:00",""
"4125959","23.1129","0.0001","23.1129","0.0001","18.8598","0.0004","90","","90","","90","","10075","0.2","173","2","173","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","LIFM-71","","","- C101 H44 F30 O32 Zr6 -","- C101 H44 F30 O32 Zr6 -","- C202 H88 F60 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54178","CuKα","","0.075","0.0669","","","0.207","0.215","","","","","","1.056","","","","has coordinates,has disorder","195592","2020-10-21","18:00:00",""
"4125960","23.0984","0.0002","23.0984","0.0002","18.8777","0.0004","90","","90","","90","","10071.9","0.2","173","2","173","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","LIFM-73","","","- C98 H42 F26 O34 Zr6 -","- C98 H42 F26 O34 Zr6 -","- C196 H84 F52 O68 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54178","CuKα","","0.0871","0.0726","","","0.2161","0.2304","","","","","","1.085","","","","has coordinates,has disorder","195593","2020-10-21","18:00:00",""
"4125961","13.444","0.002","8.2879","0.0009","9.681","0.0018","90","","110.73","0.02","90","","1008.8","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Br O2 -","- C11 H11 Br O2 -","- C44 H44 Br4 O8 -","4","1","","He, Chi; Hu, Jialei; Wu, Yubing; Ding, Hanfeng","Total Syntheses of Highly Oxidized ent-Kaurenoids Pharicin A, Pharicinin B, 7-O-Acetylpseurata C, and Pseurata C: A [5+2] Cascade Approach.","Journal of the American Chemical Society","2017","139","17","6098","6101","10.1021/jacs.7b02746","","","0.71073","MoKα","","0.0805","0.0513","","","0.1227","0.1406","","","","","","1.03","","","","has coordinates,has disorder","197410","2020-10-21","18:00:00",""
"4125962","15.833","0.0003","12.9988","0.0003","8.5257","0.0002","90","","90","","90","","1754.67","0.07","85","2","85","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H12 F8 N2 Ni -","- C19 H12 F8 N2 Ni -","- C76 H48 F32 N8 Ni4 -","4","0.5","","Chong, Eugene; Kampf, Jeff W.; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S.","Oxidatively Induced C-H Activation at High Valent Nickel.","Journal of the American Chemical Society","2017","139","17","6058","6061","10.1021/jacs.7b02387","","","1.54184","CuKα","","0.0407","0.0391","","","0.1074","0.109","","","","","","1.085","","","","has coordinates,has disorder","197411","2020-10-21","18:00:00",""
"4125963","9.0564","0.0001","12.6333","0.0002","15.3327","0.0002","90","","90.629","0.001","90","","1754.14","0.04","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 F7 N2 Ni -","- C19 H13 F7 N2 Ni -","- C76 H52 F28 N8 Ni4 -","4","1","","Chong, Eugene; Kampf, Jeff W.; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S.","Oxidatively Induced C-H Activation at High Valent Nickel.","Journal of the American Chemical Society","2017","139","17","6058","6061","10.1021/jacs.7b02387","","","1.54184","CuKα","","0.0393","0.0378","","","0.1089","0.1113","","","","","","1.022","","","","has coordinates","197411","2020-10-21","18:00:00",""
"4125964","9.1223","0.0002","9.8603","0.0002","24.6912","0.0005","94.181","0.002","95.644","0.002","117.241","0.002","1947.51","0.08","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 F7 N2 Ni O -","- C20 H15 F7 N2 Ni O -","- C80 H60 F28 N8 Ni4 O4 -","4","2","","Chong, Eugene; Kampf, Jeff W.; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S.","Oxidatively Induced C-H Activation at High Valent Nickel.","Journal of the American Chemical Society","2017","139","17","6058","6061","10.1021/jacs.7b02387","","","1.54184","CuKα","","0.0361","0.0358","","","0.0944","0.0947","","","","","","1.091","","","","has coordinates,has disorder","197411","2020-10-21","18:00:00",""
"4125965","17.458","0.003","10.2043","0.0019","34.253","0.006","90","0.01","80.248","0.009","90","0.009","6013.9","1.9","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","nss017","ThCl(BIMA)3","","- C24 H51 Cl N6 Th -","- C24 H51 Cl N6 Th -","- C192 H408 Cl8 N48 Th8 -","8","2","","Settineri, Nicholas S.; Garner, Mary E.; Arnold, John","A Thorium Chalcogenolate Series Generated by Atom Insertion into Thorium-Carbon Bonds.","Journal of the American Chemical Society","2017","139","17","6261","6269","10.1021/jacs.7b02356","","","0.71073","MoKα","","0.0476","0.0403","","","0.0961","0.099","","","","","","1.153","","","","has coordinates","197412","2020-10-21","18:00:00",""
"4125966","11.8539","0.0005","16.0933","0.0007","18.569","0.0009","90","","99.3271","0.0011","90","","3495.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","nss033","Th(CH2SiMe3)(BIMA)3","","- C28 H62 N6 Si Th -","- C28 H62 N6 Si Th -","- C112 H248 N24 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Garner, Mary E.; Arnold, John","A Thorium Chalcogenolate Series Generated by Atom Insertion into Thorium-Carbon Bonds.","Journal of the American Chemical Society","2017","139","17","6261","6269","10.1021/jacs.7b02356","","","0.71073","MoKα","","0.025","0.0235","","","0.0528","0.0534","","","","","","1.161","","","","has coordinates","197412","2020-10-21","18:00:00",""
"4125967","9.491","0.0003","10.5346","0.0004","17.7484","0.0006","84.9754","0.0016","75.7195","0.0014","70.321","0.0014","1619.26","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","nss048","Th(OCH2NMe2)(BIMA)3","","- C27 H59 N7 O Th -","- C27 H59 N7 O Th -","- C54 H118 N14 O2 Th2 -","2","1","","Settineri, Nicholas S.; Garner, Mary E.; Arnold, John","A Thorium Chalcogenolate Series Generated by Atom Insertion into Thorium-Carbon Bonds.","Journal of the American Chemical Society","2017","139","17","6261","6269","10.1021/jacs.7b02356","","","0.71073","MoKα","","0.0159","0.015","","","0.0321","0.0324","","","","","","1.109","","","","has coordinates","197412","2020-10-21","18:00:00",""
"4125968","10.868","0.0008","16.4185","0.0013","20.9253","0.0017","90","","103.045","0.003","90","","3637.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","nss051","Th(SCH2SiMe3)(BIMA)3","","- C28 H62 N6 S Si Th -","- C28 H62 N6 S Si Th -","- C112 H248 N24 S4 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Garner, Mary E.; Arnold, John","A Thorium Chalcogenolate Series Generated by Atom Insertion into Thorium-Carbon Bonds.","Journal of the American Chemical Society","2017","139","17","6261","6269","10.1021/jacs.7b02356","","","0.71073","MoKα","","0.0182","0.0164","","","0.033","0.0336","","","","","","1.173","","","","has coordinates","197412","2020-10-21","18:00:00",""
"4125969","11.3345","0.001","18.1535","0.0017","18.6885","0.0017","90","","101.817","0.004","90","","3763.9","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","nss053","Th(SSCH2SiMe3)(BIMA)3","","- C28 H62 N6 S2 Si Th -","- C28 H62 N6 S2 Si Th -","- C112 H248 N24 S8 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Garner, Mary E.; Arnold, John","A Thorium Chalcogenolate Series Generated by Atom Insertion into Thorium-Carbon Bonds.","Journal of the American Chemical Society","2017","139","17","6261","6269","10.1021/jacs.7b02356","","","0.71073","MoKα","","0.0174","0.0157","","","0.0351","0.0359","","","","","","1.077","","","","has coordinates","197412","2020-10-21","18:00:00",""
"4125970","11.1273","0.0004","16.9733","0.0006","19.4029","0.0007","90","","99.5","0.002","90","","3614.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","nss047","Th(SeCH2SiMe3)(BIMA)3","","- C28 H62 N6 Se Si Th -","- C28 H62 N6 Se Si Th -","- C112 H248 N24 Se4 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Garner, Mary E.; Arnold, John","A Thorium Chalcogenolate Series Generated by Atom Insertion into Thorium-Carbon Bonds.","Journal of the American Chemical Society","2017","139","17","6261","6269","10.1021/jacs.7b02356","","","0.71073","MoKα","","0.0435","0.0306","","","0.0652","0.0698","","","","","","1.095","","","","has coordinates","197412","2020-10-21","18:00:00",""
"4125971","13.6129","0.0005","16.3848","0.0006","17.5895","0.0007","105.022","0.0018","90.6966","0.0018","104.733","0.0017","3651.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","nss045","Th(TeCH2SiMe3)(BIMA)3","","- C28 H62 N6 Si Te Th -","- C28 H62 N6 Si Te Th -","- C112 H248 N24 Si4 Te4 Th4 -","4","2","","Settineri, Nicholas S.; Garner, Mary E.; Arnold, John","A Thorium Chalcogenolate Series Generated by Atom Insertion into Thorium-Carbon Bonds.","Journal of the American Chemical Society","2017","139","17","6261","6269","10.1021/jacs.7b02356","","","0.71073","MoKα","","0.0341","0.0293","","","0.0669","0.0688","","","","","","1.151","","","","has coordinates","197412","2020-10-21","18:00:00",""
"4125972","14.657","0.003","10.662","0.0017","15.613","0.003","90","","108.866","0.008","90","","2308.8","0.8","273","","273","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 O2 P -","- C31 H23 O2 P -","- C124 H92 O8 P4 -","4","1","","Unoh, Yuto; Hirano, Koji; Miura, Masahiro","Metal-Free Electrophilic Phosphination/Cyclization of Alkynes.","Journal of the American Chemical Society","2017","139","17","6106","6109","10.1021/jacs.7b02977","","","0.71075","MoKα","","0.112","0.0677","","","0.1369","0.1599","","","","","","1.093","","","","has coordinates","197413","2020-10-21","18:00:00",""
"4125973","6.033","0.005","20.61","0.017","16.555","0.014","90","","97.135","0.009","90","","2043","3","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 O3 P -","- C27 H19 O3 P -","- C108 H76 O12 P4 -","4","1","","Unoh, Yuto; Hirano, Koji; Miura, Masahiro","Metal-Free Electrophilic Phosphination/Cyclization of Alkynes.","Journal of the American Chemical Society","2017","139","17","6106","6109","10.1021/jacs.7b02977","","","0.71075","MoKα","","0.1161","0.0842","","","0.2136","0.2296","","","","","","1.146","","","","has coordinates","197413","2020-10-21","18:00:00",""
"4125974","10.8165","0.0004","10.8165","0.0004","16.2708","0.0005","90","","90","","120","","1648.59","0.1","173","2","173","2","","","","","","","","3","P 32","P 32","145","","","","- C29 H29 N -","- C29 H29 N -","- C87 H87 N3 -","3","1","","Panda, Santanu; Ready, Joseph M.","Palladium Catalyzed Asymmetric Three-Component Coupling of Boronic Esters, Indoles, and Allylic Acetates.","Journal of the American Chemical Society","2017","139","17","6038","6041","10.1021/jacs.7b01410","","","1.54184","CuKα","","0.0439","0.0425","","","0.1161","0.1183","","","","","","1.046","","","","has coordinates","197409","2020-10-21","18:00:00",""
"4125975","8.5881","0.0011","23.514","0.003","16.0485","0.0019","90","","104.483","0.005","90","","3137.9","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H48 Mo N5 -","- C33 H48 Mo N5 -","- C132 H192 Mo4 N20 -","4","1","","Margulieux, Grant W.; Bezdek, Máté J; Turner, Zoë R; Chirik, Paul J.","Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum Complex with a Chemically and Redox Noninnocent Ligand.","Journal of the American Chemical Society","2017","139","17","6110","6113","10.1021/jacs.7b03070","","","1.54178","CuKα","","0.0378","0.036","","","0.1017","0.1028","","","","","","1.088","","","","has coordinates","197406","2020-10-21","18:00:00",""
"4125976","16.659","","16.659","","32.217","","90","","90","","120","","7743.08","","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C39 H59 Mo N5 -","- C39 H59 Mo N5 -","- C234 H354 Mo6 N30 -","6","1","","Margulieux, Grant W.; Bezdek, Máté J; Turner, Zoë R; Chirik, Paul J.","Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum Complex with a Chemically and Redox Noninnocent Ligand.","Journal of the American Chemical Society","2017","139","17","6110","6113","10.1021/jacs.7b03070","","","0.71073","MoKα","","0.0748","0.0669","","","0.1679","0.1736","","","","","","1.155","","","","has coordinates","197406","2020-10-21","18:00:00",""
"4125977","16.2897","0.0009","16.2897","0.0009","32.2513","0.0019","90","","90","","120","","7411.5","0.7","100","2","100","2","","","","","","","","7","P 65","P 65","170","","","","- C38 H59 F3 Mo N5 O4 S -","- C38 H59 F3 Mo N5 O4 S -","- C228 H354 F18 Mo6 N30 O24 S6 -","6","1","","Margulieux, Grant W.; Bezdek, Máté J; Turner, Zoë R; Chirik, Paul J.","Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum Complex with a Chemically and Redox Noninnocent Ligand.","Journal of the American Chemical Society","2017","139","17","6110","6113","10.1021/jacs.7b03070","","","0.71073","MoKα","","0.0318","0.0275","","","0.0649","0.0669","","","","","","1.089","","","","has coordinates","197406","2020-10-21","18:00:00",""
"4125978","21.7387","0.0011","16.3039","0.0008","9.2844","0.0005","90","","95.558","0.002","90","","3275.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H49 Mo N3 -","- C39 H49 Mo N3 -","- C156 H196 Mo4 N12 -","4","1","","Margulieux, Grant W.; Bezdek, Máté J; Turner, Zoë R; Chirik, Paul J.","Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum Complex with a Chemically and Redox Noninnocent Ligand.","Journal of the American Chemical Society","2017","139","17","6110","6113","10.1021/jacs.7b03070","","","0.71073","MoKα","","0.0524","0.0356","","","0.0832","0.089","","","","","","1.09","","","","has coordinates","197406","2020-10-21","18:00:00",""
"4125979","8.7438","0.0007","13.7953","0.0011","15.4416","0.0013","106.183","0.002","104.153","0.002","104.603","0.002","1628.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H47 Mo N4 -","- C35 H47 Mo N4 -","- C70 H94 Mo2 N8 -","2","1","","Margulieux, Grant W.; Bezdek, Máté J; Turner, Zoë R; Chirik, Paul J.","Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum Complex with a Chemically and Redox Noninnocent Ligand.","Journal of the American Chemical Society","2017","139","17","6110","6113","10.1021/jacs.7b03070","","","1.54178","CuKα","","0.0349","0.0344","","","0.0872","0.0876","","","","","","1.069","","","","has coordinates","197406","2020-10-21","18:00:00",""
"4125980","13.9719","0.0007","14.3789","0.0008","19.519","0.0009","111.265","0.001","91.6445","0.0011","97.0299","0.0012","3615.6","0.3","260","","260","","","","","","","","","6","P -1","-P 1","2","","","","- C74.5 H69.5 B0.5 F2 N5 O1.5 -","- C74.5 H69.5 B0.5 F2 N5 O1.5 -","- C149 H139 B F4 N10 O3 -","2","1","","Qiao, Bo; Hirsch, Brandon E.; Lee, Semin; Pink, Maren; Chen, Chun-Hsing; Laursen, Bo W.; Flood, Amar H.","Ion-Pair Oligomerization of Chromogenic Triangulenium Cations with Cyanostar-Modified Anions That Controls Emission in Hierarchical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01937","","","0.41328","Synchrotron","","0.2602","0.2104","","0.5462","0.5081","0.5459","","","","","","2.0543","","","","has coordinates,has disorder","195758","2020-10-21","18:00:00",""
"4125981","5.677","0.0003","12.775","0.0005","27.3695","0.0016","90","","94.076","0.005","90","","1979.92","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Br Cl3 O2 -","- C19 H18 Br Cl3 O2 -","- C76 H72 Br4 Cl12 O8 -","4","1","","Tan, Yu; Luo, Shilong; Li, Dongmei; Zhang, Nan; Jia, Shiqi; Liu, Yidong; Qin, Wenling; Song, Choong Eui; Yan, Hailong","Enantioselective Synthesis of anti-syn-Trihalides and anti-syn-anti-Tetrahalides via Asymmetric β-Elimination.","Journal of the American Chemical Society","2017","139","18","6431","6436","10.1021/jacs.7b02076","","","0.71073","MoKα","","0.1136","0.0608","","","0.1529","0.1905","","","","","","1.042","","","","has coordinates","197439","2020-10-21","18:00:00",""
"4125982","6.7844","0.0004","7.0774","0.0006","17.2752","0.001","90","","100.264","0.005","90","","816.21","0.1","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 Br3 O -","- C16 H13 Br3 O -","- C32 H26 Br6 O2 -","2","1","","Tan, Yu; Luo, Shilong; Li, Dongmei; Zhang, Nan; Jia, Shiqi; Liu, Yidong; Qin, Wenling; Song, Choong Eui; Yan, Hailong","Enantioselective Synthesis of anti-syn-Trihalides and anti-syn-anti-Tetrahalides via Asymmetric β-Elimination.","Journal of the American Chemical Society","2017","139","18","6431","6436","10.1021/jacs.7b02076","","","0.71073","MoKα","","0.0716","0.0584","","","0.1273","0.1421","","","","","","1.123","","","","has coordinates","197439","2020-10-21","18:00:00",""
"4125983","13.7749","0.0014","21.091","0.002","7.3456","0.0007","90","","90","","90","","2134.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H24 N2 O6 -","- C17 H24 N2 O6 -","- C68 H96 N8 O24 -","4","1","","Wang, Xiaoming; Gensch, Tobias; Lerchen, Andreas; Daniliuc, Constantin G.; Glorius, Frank","Cp*Rh(III)/Bicyclic Olefin Cocatalyzed C-H Bond Amidation by Intramolecular Amide Transfer.","Journal of the American Chemical Society","2017","139","18","6506","6512","10.1021/jacs.7b02725","","","1.54178","CuKα","","0.0789","0.0521","","","0.1197","0.1359","","","","","","1.043","","","","has coordinates,has disorder","197441","2020-10-21","18:00:00",""
"4125984","12.492","0.0006","8.763","0.0004","15.2416","0.0006","90","","103.801","0.002","90","","1620.29","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N O2 Rh -","- C18 H22 N O2 Rh -","- C72 H88 N4 O8 Rh4 -","4","1","","Wang, Xiaoming; Gensch, Tobias; Lerchen, Andreas; Daniliuc, Constantin G.; Glorius, Frank","Cp*Rh(III)/Bicyclic Olefin Cocatalyzed C-H Bond Amidation by Intramolecular Amide Transfer.","Journal of the American Chemical Society","2017","139","18","6506","6512","10.1021/jacs.7b02725","","","0.71073","MoKα","","0.0393","0.0264","","","0.0498","0.0537","","","","","","1.048","","","","has coordinates","197441","2020-10-21","18:00:00",""
"4125985","9.9285","0.0005","14.935","0.0006","10.6506","0.0005","90","","90.57","0.002","90","","1579.22","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 N2 O4 Rh2 -","- C36 H44 N2 O4 Rh2 -","- C72 H88 N4 O8 Rh4 -","2","0.5","","Wang, Xiaoming; Gensch, Tobias; Lerchen, Andreas; Daniliuc, Constantin G.; Glorius, Frank","Cp*Rh(III)/Bicyclic Olefin Cocatalyzed C-H Bond Amidation by Intramolecular Amide Transfer.","Journal of the American Chemical Society","2017","139","18","6506","6512","10.1021/jacs.7b02725","","","0.71073","MoKα","","0.0273","0.0236","","","0.0567","0.0599","","","","","","1.141","","","","has coordinates","197441","2020-10-21","18:00:00",""
"4125986","23.916","0.005","10.099","0.002","16.81","0.004","90","","131.277","0.002","90","","3051.3","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 Cl2 Fe N12 O8 -","- C24 H36 Cl2 Fe N12 O8 -","- C96 H144 Cl8 Fe4 N48 O32 -","4","0.5","","Phan, Hoa; Hrudka, Jeremy J.; Igimbayeva, Dilyara; Lawson Daku, Latévi M; Shatruk, Michael","A Simple Approach for Predicting the Spin State of Homoleptic Fe(II) Tris-diimine Complexes.","Journal of the American Chemical Society","2017","139","18","6437","6447","10.1021/jacs.7b02098","","","0.71073","MoKα","","0.0552","0.0402","","","0.1013","0.1105","","","","","","1.053","","","","has coordinates","197440","2020-10-21","18:00:00",""
"4125987","8.494","0.0002","9.6405","0.0004","17.234","0.0006","80.409","0.002","89.735","0.002","70.163","0.002","1306.88","0.08","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H42 O Zr -","- C29 H42 O Zr -","- C58 H84 O2 Zr2 -","2","1","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","0.71073","MoKα","","0.0642","0.0555","","","0.125","0.1324","","","","","","1.055","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4125988","17.461","0.0006","10.2956","0.0004","23.0488","0.0008","90","","99.715","0.002","90","","4084.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45.5 H47 B F10 O2 Zr -","- C45.5 H47 B F10 O2 Zr -","- C182 H188 B4 F40 O8 Zr4 -","4","1","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","1.54178","CuKα","","0.0481","0.0404","","","0.0874","0.0906","","","","","","1.041","","","","has coordinates,has disorder","195812","2020-10-21","18:00:00",""
"4125989","12.1921","0.0002","23.6125","0.0004","14.2409","0.0003","90","","104.02","0.001","90","","3977.63","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H43 B F10 O2 Zr -","- C42 H43 B F10 O2 Zr -","- C168 H172 B4 F40 O8 Zr4 -","4","1","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","0.71073","MoKα","","0.0768","0.058","","","0.1087","0.1233","","","","","","1.085","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4125990","18.6592","0.0003","16.8001","0.0002","26.978","0.0004","90","","90","","90","","8457","0.2","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H48 B F10 N O2 Zr -","- C47 H48 B F10 N O2 Zr -","- C376 H384 B8 F80 N8 O16 Zr8 -","8","1","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","0.71073","MoKα","","0.0461","0.0365","","","0.082","0.0871","","","","","","1.05","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4125991","15.7125","0.0003","10.5905","0.0002","27.2479","0.0005","90","","95.505","0.001","90","","4513.23","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H43 B F10 O3 Zr -","- C43 H43 B F10 O3 Zr -","- C172 H172 B4 F40 O12 Zr4 -","4","1","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","0.71073","MoKα","","0.0586","0.0445","","","0.1086","0.1156","","","","","","1.047","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4125992","9.1412","0.0005","14.1009","0.0008","18.1472","0.0009","87.086","0.002","85.124","0.002","74.731","0.002","2247.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H43 B F10 O4 Zr -","- C43 H43 B F10 O4 Zr -","- C86 H86 B2 F20 O8 Zr2 -","2","1","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","0.71073","MoKα","","0.051","0.036","","","0.0783","0.0833","","","","","","1.023","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4125993","25.3643","0.0014","25.3643","0.0014","33.4936","0.0019","90","","90","","90","","21548","2","100","2","100","2","","","","","","","","8","I 41/a","-I 4ad","88","","","","- C48 H48 B F10 N O3 S Zr -","- C48 H48 B F10 N O3 S Zr -","- C768 H768 B16 F160 N16 O48 S16 Zr16 -","16","","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","1.54178","CuKα","","0.1085","0.0754","","","0.1905","0.2122","","","","","","1.001","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4125994","9.8031","0.0001","18.0447","0.0003","15.3737","0.0002","90","","94.955","0.001","90","","2709.35","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 O3 Zr -","- C30 H42 O3 Zr -","- C120 H168 O12 Zr4 -","4","1","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","0.71073","MoKα","","0.0512","0.043","","","0.0924","0.0976","","","","","","1.081","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4125995","16.5662","0.0002","19.9277","0.0002","25.6405","0.0003","90","","90","","90","","8464.6","0.17","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H43 B F10 O3 Zr -","- C42 H43 B F10 O3 Zr -","- C336 H344 B8 F80 O24 Zr8 -","8","1","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","0.71073","MoKα","","0.053","0.0406","","","0.0899","0.0958","","","","","","1.028","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4125996","9.3793","0.0002","10.1846","0.0002","13.8572","0.0002","92.719","0.001","96.159","0.001","91.437","0.001","1313.97","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H42 O2 Zr -","- C29 H42 O2 Zr -","- C58 H84 O4 Zr2 -","2","1","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","0.71073","MoKα","","0.0361","0.0341","","","0.0843","0.0864","","","","","","1.041","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4125997","22.7497","0.0011","13.5222","0.0006","29.0199","0.0014","90","","102.42","0.002","90","","8718.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H51 B F10 O2 Zr -","- C48 H51 B F10 O2 Zr -","- C384 H408 B8 F80 O16 Zr8 -","8","2","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","0.71073","MoKα","","0.0645","0.0397","","","0.0781","0.0876","","","","","","1.032","","","","has coordinates,has disorder","195812","2020-10-21","18:00:00",""
"4125998","72.2609","0.0018","72.2609","0.0018","72.2609","0.0018","90","","90","","90","","377320","16","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","ZIF-414","","","- C29.08 H24.45 N14.3 O4.6 Zn3 -","- C29.075 H24.27 N14.3 O4.6 Zn3 -","- C5582.4 H4659.84 N2745.6 O883.2 Zn576 -","192","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","0.7749","synchrotron","","0.0932","0.0787","","","0.228","0.2491","","","","","","1.157","","","","has coordinates,has disorder","197442","2020-10-21","18:00:00",""
"4125999","72.205","0.002","72.205","0.002","72.205","0.002","90","","90","","90","","376445","18","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","ZIF-412","","","- C31.6 H22.95 N13.85 O3.7 Zn3 -","- C31.6 H22.95 N13.85 O3.7 Zn3 -","- C6067.2 H4406.4 N2659.2 O710.4 Zn576 -","192","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","0.8265","synchrotron","","0.05","0.0434","","","0.1444","0.1503","","","","","","1.081","","","","has coordinates,has disorder","197442","2020-10-21","18:00:00",""
"4126000","31.731","0.006","31.731","0.006","28.412","0.006","90","","90","","120","","24774","8","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","ZIF-615","","","- C40 H23 Cl4 N20 O8 Zn4 -","- C40 H23 Cl4 N20 O8 Zn4 -","- C480 H276 Cl48 N240 O96 Zn48 -","12","0.5","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","0.8999","synchrotron","","0.2577","0.1933","","","0.4933","0.55","","","","","","1.084","","","","has coordinates,has disorder","197442","2020-10-21","18:00:00",""
"4126001","29.157","0.003","29.157","0.003","69.955","0.009","90","","90","","90","","59471","12","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","ZIF-516","","","- C195 H77 Br13 N52 Zn13 -","- C195 H74 Br13 N52 Zn13 -","- C1560 H592 Br104 N416 Zn104 -","8","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","0.7749","synchrotron","","0.1191","0.0972","","","0.2523","0.273","","","","","","1.047","","","","has coordinates","197442","2020-10-21","18:00:00",""
"4126002","72.3673","0.0014","72.3673","0.0014","72.3673","0.0014","90","","90","","90","","378989","13","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","ZIF-413","","","- C33.5 H26.49 N13.81 O3.63 Zn3 -","- C33.5 H26.4875 N13.8125 O3.625 Zn3 -","- C6432 H5085.6 N2652 O696 Zn576 -","192","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","1.2399","synchrotron","","0.117","0.1032","","","0.3171","0.3434","","","","","","1.05","","","","has coordinates,has disorder","197442","2020-10-21","18:00:00",""
"4126003","42.586","0.003","42.586","0.003","19.8692","0.0013","90","","90","","120","","31206","4","100","2","100","2","","","","","","","","6","P 6/m m m","-P 6 2","191","ZIF-725","","","- C22 H13.5 Br2.5 N9 O2 Zn2 -","- C22 H12.25 Br2.5 N9 O2 Zn2 -","- C528 H294 Br60 N216 O48 Zn48 -","24","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","1.0332","synchrotron","","0.1996","0.1621","","","0.4143","0.4377","","","","","","1.152","","","","has coordinates,has disorder","197442","2020-10-21","18:00:00",""
"4126004","27.0807","0.0016","27.0807","0.0016","16.7619","0.0016","90","","90","","120","","10645.7","1.4","100","2","100","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","ZIF-486","","","- C7.5 H7.4 N4.2 O0.4 Zn -","- C7.5 H7.4 N4.2 O0.4 Zn -","- C180 H177.6 N100.8 O9.6 Zn24 -","24","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","0.7749","","","0.1382","0.1153","","","0.3275","0.3525","","","","","","1.02","","","","has coordinates,has disorder","197442","2020-10-21","18:00:00",""
"4126005","17.3115","0.001","6.4766","0.0004","20.9257","0.0012","90","","107.061","0.002","90","","2242.9","0.2","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","BAD2-BA","","","- C26.5 H22 B Cl F2 N2 O2 -","- C26.5 H22 B Cl F2 N2 O2 -","- C106 H88 B4 Cl4 F8 N8 O8 -","4","1","","Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Savoie, Huguette; Flanagan, Keith J.; Sy, Cindy; Sitte, Elisabeth; Telitchko, Maxime; Laquai, Frédéric; Boyle, Ross W.; Senge, Mathias O.","Generation of Triplet Excited States via Photoinduced Electron Transfer in meso-anthra-BODIPY: Fluorogenic Response toward Singlet Oxygen in Solution and in Vitro.","Journal of the American Chemical Society","2017","139","18","6282","6285","10.1021/jacs.7b00551","","x-ray","0.71073","MoKα","","0.0773","0.0426","","","0.0855","0.0976","","","","","","1.035","","","","has coordinates,has disorder","197444","2020-10-21","18:00:00",""
"4126006","7.2381","0.0006","9.7454","0.0009","16.9374","0.0015","75.307","0.003","83.691","0.002","70.111","0.004","1086.37","0.17","100","","99.99","","","","","","","","","5","P -1","-P 1","2","BAD1","","","- C28 H25 B F2 N2 -","- C28 H25 B F2 N2 -","- C56 H50 B2 F4 N4 -","2","1","","Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Savoie, Huguette; Flanagan, Keith J.; Sy, Cindy; Sitte, Elisabeth; Telitchko, Maxime; Laquai, Frédéric; Boyle, Ross W.; Senge, Mathias O.","Generation of Triplet Excited States via Photoinduced Electron Transfer in meso-anthra-BODIPY: Fluorogenic Response toward Singlet Oxygen in Solution and in Vitro.","Journal of the American Chemical Society","2017","139","18","6282","6285","10.1021/jacs.7b00551","","x-ray","0.71073","MoKα","","0.0831","0.044","","","0.1015","0.1129","","","","","","1.016","","","","has coordinates","197444","2020-10-21","18:00:00",""
"4126007","6.3949","0.0003","9.4233","0.0005","20.105","0.001","80.269","0.002","83.793","0.002","70.715","0.002","1125.33","0.1","100","","99.99","","","","","","","","","6","P -1","-P 1","2","BAD2-TE","","","- C27 H25 B F2 N2 O5 -","- C27 H25 B F2 N2 O5 -","- C54 H50 B2 F4 N4 O10 -","2","1","","Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Savoie, Huguette; Flanagan, Keith J.; Sy, Cindy; Sitte, Elisabeth; Telitchko, Maxime; Laquai, Frédéric; Boyle, Ross W.; Senge, Mathias O.","Generation of Triplet Excited States via Photoinduced Electron Transfer in meso-anthra-BODIPY: Fluorogenic Response toward Singlet Oxygen in Solution and in Vitro.","Journal of the American Chemical Society","2017","139","18","6282","6285","10.1021/jacs.7b00551","","x-ray","0.71073","MoKα","","0.0762","0.0481","","","0.1052","0.1164","","","","","","1.036","","","","has coordinates,has disorder","197444","2020-10-21","18:00:00",""
"4126008","9.334","0.001","11.4364","0.0012","15.3376","0.0016","111.002","0.002","109.988","0.002","120.76","0.002","993","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H31 Ir N2 O2 -","- C22 H31 Ir N2 O2 -","- C44 H62 Ir2 N4 O4 -","2","1","","Gao, Yang; Guan, Changjian; Zhou, Meng; Kumar, Akshai; Emge, Thomas J.; Wright, Ashley M.; Goldberg, Karen I.; Krogh-Jespersen, Karsten; Goldman, Alan S.","β-Hydride Elimination and C-H Activation by an Iridium Acetate Complex, Catalyzed by Lewis Acids. Alkane Dehydrogenation Co-Catalyzed by Lewis Acids and (Phebox)Ir.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b12995","","","0.71073","MoKα","","0.0736","0.0669","","","0.1555","0.1596","","","","","","1.004","","","","has coordinates","195892","2020-10-21","18:00:00",""
"4126009","15.3166","0.0009","8.8618","0.0004","14.4531","0.0007","90","","98.44","0.002","90","","1940.51","0.17","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C12 H20 Fe K N8 O2 -","- C12 H20 Fe K N8 O2 -","- C48 H80 Fe4 K4 N32 O8 -","4","1","","Xu, Wei-Jian; Li, Peng-Fei; Tang, Yuan-Yuan; Zhang, Wei-Xiong; Xiong, Ren-Gen; Chen, Xiao-Ming","A Molecular Perovskite with Switchable Coordination Bonds for High-Temperature Multiaxial Ferroelectrics.","Journal of the American Chemical Society","2017","139","18","6369","6375","10.1021/jacs.7b01334","","","0.71073","MoKα","","0.0305","0.0284","","","0.0663","0.0685","","","","","","1.045","","","","has coordinates","197443","2020-10-21","18:00:00",""
"4126010","9.054","0.0004","25.6599","0.0011","11.7725","0.0005","90","","111.578","0.002","90","","2543.37","0.19","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 O2 P -","- C30 H31 O2 P -","- C120 H124 O8 P4 -","4","1","","Núñez-Villanueva, Diego; Iadevaia, Giulia; Stross, Alexander E.; Jinks, Michael A.; Swain, Jonathan A.; Hunter, Christopher A.","H-Bond Self-Assembly: Folding versus Duplex Formation","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01357","","","1.54178","CuKα","","0.1185","0.0686","","","0.1342","0.1541","","","","","","1.051","","","","has coordinates","196192","2020-10-21","18:00:00",""
"4126011","12.2209","0.0003","12.6206","0.0003","14.2456","0.0004","75.918","0.001","77.453","0.001","75.38","0.001","2033.52","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H62 N2 Pb -","- C43 H62 N2 Pb -","- C86 H124 N4 Pb2 -","2","1","","Schneider, Julia; Sindlinger, Christian P.; Eichele, Klaus; Schubert, Hartmut; Wesemann, Lars","Low-Valent Lead Hydride and Its Extreme Low-Field (1)H NMR Chemical Shift.","Journal of the American Chemical Society","2017","139","19","6542","6545","10.1021/jacs.7b01856","","","0.71073","MoKα","","0.0247","0.0213","","","0.0468","0.0476","","","","","","1.105","","","","has coordinates,has disorder","197418","2020-10-21","18:00:00",""
"4126012","6.1827","0.0004","16.2477","0.0009","18.7515","0.0011","90","","90","","90","","1883.68","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 B O5 -","- C20 H27 B O5 -","- C80 H108 B4 O20 -","4","1","","Yu, Songjie; Wu, Caizhi; Ge, Shaozhong","Cobalt-Catalyzed Asymmetric Hydroboration/Cyclization of 1,6-Enynes with Pinacolborane.","Journal of the American Chemical Society","2017","139","19","6526","6529","10.1021/jacs.7b01708","","","1.54178","CuKα","","0.0276","0.0273","","","0.0686","0.0689","","","","","","1.052","","","","has coordinates","197419","2020-10-21","18:00:00",""
"4126013","6.126","0.0004","12.1135","0.0007","24.9789","0.0015","90","","90","","90","","1853.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 B F3 O3 -","- C19 H24 B F3 O3 -","- C76 H96 B4 F12 O12 -","4","1","","Yu, Songjie; Wu, Caizhi; Ge, Shaozhong","Cobalt-Catalyzed Asymmetric Hydroboration/Cyclization of 1,6-Enynes with Pinacolborane.","Journal of the American Chemical Society","2017","139","19","6526","6529","10.1021/jacs.7b01708","","","1.54178","CuKα","","0.0292","0.0285","","","0.0718","0.0724","","","","","","1.065","","","","has coordinates","197419","2020-10-21","18:00:00",""
"4126014","20.4847","0.0008","20.4847","0.0008","6.8358","0.0003","90","","90","","120","","2484.16","0.18","100","2","100","2","","","","","","","","3","P 61","P 61","169","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C114 H144 O24 -","6","1","","Yu, Songjie; Wu, Caizhi; Ge, Shaozhong","Cobalt-Catalyzed Asymmetric Hydroboration/Cyclization of 1,6-Enynes with Pinacolborane.","Journal of the American Chemical Society","2017","139","19","6526","6529","10.1021/jacs.7b01708","","","1.54178","CuKα","","0.0256","0.0254","","","0.0648","0.065","","","","","","1.087","","","","has coordinates","197419","2020-10-21","18:00:00",""
"4126015","8.2057","0.0002","18.9164","0.0004","10.956","0.0002","90","","109.946","0.0005","90","","1598.6","0.06","90","2","90","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C37 H48 Sn -","- C37 H48 Sn -","- C74 H96 Sn2 -","2","0.5","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Tin(II) Hydrides as Intermediates in Rearrangements of Tin(II) Alkyl Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02271","","","1.54178","CuKα","","0.0265","0.0264","","","0.0673","0.0675","","","","","","1.051","","","","has coordinates,has disorder","196555","2020-10-21","18:00:00",""
"4126016","33.486","0.002","9.6854","0.0008","24.5785","0.0016","90","","110.392","0.003","90","","7471.9","0.9","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C43 H60 Sn -","- C43 H60 Sn -","- C344 H480 Sn8 -","8","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Tin(II) Hydrides as Intermediates in Rearrangements of Tin(II) Alkyl Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02271","","","1.54178","CuKα","","0.0639","0.0585","","","0.1538","0.1633","","","","","","1.069","","","","has coordinates,has disorder","196555","2020-10-21","18:00:00",""
"4126017","10.5924","0.0003","10.8578","0.0003","15.0849","0.0004","99.3872","0.001","94.5522","0.001","108.185","0.0011","1610.41","0.08","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H46 Sn -","- C37 H46 Sn -","- C74 H92 Sn2 -","2","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Tin(II) Hydrides as Intermediates in Rearrangements of Tin(II) Alkyl Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02271","","","1.54178","CuKα","","0.0391","0.0391","","","0.0974","0.0974","","","","","","1.15","","","","has coordinates,has disorder","196555","2020-10-21","18:00:00",""
"4126018","33.42","0.007","9.66","0.002","24.843","0.005","90","","111.533","0.003","90","","7460","3","90","2","90","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C86 H116 Sn2 -","- C86 H116 Sn2 -","- C344 H464 Sn8 -","4","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Tin(II) Hydrides as Intermediates in Rearrangements of Tin(II) Alkyl Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02271","","","0.71073","MoKα","","0.0653","0.0579","","","0.1397","0.1455","","","","","","1.019","","","","has coordinates,has disorder","196555","2020-10-21","18:00:00",""
"4126019","8.296","0.0016","14.809","0.003","15.586","0.003","87.356","0.005","74.584","0.005","84.943","0.004","1838.2","0.6","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H54 Sn -","- C44 H54 Sn -","- C88 H108 Sn2 -","2","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Tin(II) Hydrides as Intermediates in Rearrangements of Tin(II) Alkyl Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02271","","","0.71073","MoKα","","0.0348","0.0321","","","0.0815","0.0831","","","","","","1.05","","","","has coordinates","196555","2020-10-21","18:00:00",""
"4126020","12.1647","0.0015","9.658","0.0012","31.714","0.004","90","","91.093","0.002","90","","3725.3","0.8","90","2","90","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C43 H58 Sn -","- C43 H58 Sn -","- C172 H232 Sn4 -","4","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Tin(II) Hydrides as Intermediates in Rearrangements of Tin(II) Alkyl Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02271","","","0.71073","MoKα","","0.1039","0.0832","","","0.1815","0.193","","","","","","1.106","","","","has coordinates","196555","2020-10-21","18:00:00",""
"4126021","11.401","0.0003","33.9076","0.001","16.5719","0.0004","90","","93.3189","0.0012","90","","6395.6","0.3","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C74 H92 Sn2 -","- C74 H92 Sn2 -","- C296 H368 Sn8 -","4","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Tin(II) Hydrides as Intermediates in Rearrangements of Tin(II) Alkyl Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02271","","","1.54178","CuKα","","0.0901","0.0721","","","0.1766","0.1852","","","","","","1.041","","","","has coordinates,has disorder","196555","2020-10-21","18:00:00",""
"4126022","10.5608","0.0008","6.4181","0.0005","19.8406","0.0014","90","","90.419","0.002","90","","1344.77","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","","Maier, Josef M.; Li, Ping; Vik, Erik C.; Yehl, Christopher J.; Strickland, Sharon M. S.; Shimizu, Ken D.","Measurement of Solvent OH-π Interactions Using a Molecular Balance.","Journal of the American Chemical Society","2017","139","19","6550","6553","10.1021/jacs.7b02349","","","0.71073","MoKα","","0.0567","0.0455","","","0.1158","0.1217","","","","","","1.064","","","","has coordinates","197414","2020-10-21","18:00:00",""
"4126023","10.9086","0.0002","15.7319","0.0003","17.5116","0.0004","83.6115","0.0016","79.6903","0.0015","70.5894","0.0015","2784.3","0.1","100","2","100.01","","","","","","","","","4","P 1","P 1","1","","","","- C55.5 H49.5 N7.5 O13.5 -","- C55.5 H49.5 N7.5 O13.5 -","- C111 H99 N15 O27 -","2","2","","Kim, Dong Jun; Hermann, Keith R.; Prokofjevs, Aleksandrs; Otley, Michael T.; Pezzato, Cristian; Owczarek, Magdalena; Stoddart, J. Fraser","Redox-Active Macrocycles for Organic Rechargeable Batteries.","Journal of the American Chemical Society","2017","139","19","6635","6643","10.1021/jacs.7b01209","","","1.54178","CuKα","","0.0789","0.0593","","","0.1475","0.1601","","","","","","0.971","","","","has coordinates,has disorder","197415","2020-10-21","18:00:00",""
"4126024","18.6629","0.0008","64.266","0.003","85.271","0.004","90","","90","","90","","102273","8","180","2","180","2","","","","","","","","8","F d d d","-F 2uv 2vw","70","","","","- C190.5 H184 F40.5 Fe4 N40 O31.5 P5.5 S10.5 -","- C186.8 H184 F29.4 Fe4 N40 O20.4 P5.5 S6.8 -","- C2988.8 H2944 F470.4 Fe64 N640 O326.4 P88 S108.8 -","16","","","Zhang, Dawei; Ronson, Tanya K.; Mosquera, Jesús; Martinez, Alexandre; Guy, Laure; Nitschke, Jonathan R.","Anion Binding in Water Drives Structural Adaptation in an Azaphosphatrane-Functionalized Fe(II)4L4 Tetrahedron.","Journal of the American Chemical Society","2017","139","19","6574","6577","10.1021/jacs.7b02950","","","1.54178","CuKα","","0.1193","0.1078","","","0.2698","0.278","","","","","","1.085","","","","has coordinates,has disorder","197416","2020-10-21","18:00:00",""
"4126025","10.5693","0.001","11.1146","0.0011","21.504","0.002","90","","90","","90","","2526.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1","","- C16 H40 N4 Ni2 O10 -","- C16 H40 N4 Ni2 O10 -","- C64 H160 N16 Ni8 O40 -","4","1","","Margossian, Tigran; Larmier, Kim; Kim, Sung Min; Krumeich, Frank; Fedorov, Alexey; Chen, Peter; Müller, Christoph R; Copéret, Christophe","Molecularly Tailored Nickel Precursor and Support Yield a Stable Methane Dry Reforming Catalyst with Superior Metal Utilization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01625","","x-ray","0.71073","MoKα","","0.038","0.0286","","","0.0528","0.0553","","","","","","1.06","","","","has coordinates","196616","2020-10-21","18:00:00",""
"4126026","11.07084","0.0001","12.29131","0.00012","13.30647","0.00014","90","","90","","90","","1810.68","0.03","100.02","0.11","100.02","0.11","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O7 -","- C21 H22 O7 -","- C84 H88 O28 -","4","1","","Guo, Yinliang; Quan, Tianfei; Lu, Yandong; Luo, Tuoping","Enantioselective Total Synthesis of (+)-Wortmannin.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02515","","","1.54184","CuKα","","0.026","0.0259","","","0.0678","0.0679","","","","","","1.04","","","","has coordinates","196634","2020-10-21","18:00:00",""
"4126027","11.4489","0.0005","20.7494","0.0009","30.7865","0.0014","90","","91.16","0.001","90","","7312.1","0.6","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15.21 Cl0.5 N1.4 O33.9 Zr6 -","- C15.218 Cl0.5 N1.406 O33.906 Zr6 -","- C121.744 Cl4 N11.248 O271.248 Zr48 -","8","1","","Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Feng, Xuanyu; Urban, Ania; Song, Yang; Lin, Wenbin","Single-Site Cobalt Catalysts at New Zr12(μ3-O)8(μ3-OH)8(μ2-OH)6 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Nitroarenes, Nitriles, and Isocyanides.","Journal of the American Chemical Society","2017","139","20","7004","7011","10.1021/jacs.7b02394","","","0.41328","","","0.0862","0.0527","","","0.1295","0.1428","","","","","","1.046","","","","has coordinates,has disorder","197427","2020-10-21","18:00:00",""
"4126028","33.087","0.003","33.087","0.003","21.564","0.002","90","","90","","90","","23607","4","77","","77","","","","","","","","","4","I 41/a","-I 4ad","88","","HfBTE-3D-MOF-I","","- C66 H0 Hf3 O18 -","- C66 Hf3 O18 -","- C528 Hf24 O144 -","8","","","Cao, Lingyun; Lin, Zekai; Shi, Wenjie; Wang, Zi; Zhang, Cankun; Hu, Xuefu; Wang, Cheng; Lin, Wenbin","Exciton Migration and Amplified Quenching on Two-Dimensional Metal-Organic Layers.","Journal of the American Chemical Society","2017","139","20","7020","7029","10.1021/jacs.7b02470","","","0.41328","","","0.1171","0.0622","","","0.1509","0.1786","","","","","","1.081","","","","has coordinates,has disorder","197429","2020-10-21","18:00:00",""
"4126029","44.662","0.009","21.571","0.004","19.789","0.004","90","","113.282","0.003","90","","17512","6","77","","77","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","ZrBTE-3D-MOF-D","","- C66 O18 Zr3 -","- C66 O18 Zr3 -","- C264 O72 Zr12 -","4","0.5","","Cao, Lingyun; Lin, Zekai; Shi, Wenjie; Wang, Zi; Zhang, Cankun; Hu, Xuefu; Wang, Cheng; Lin, Wenbin","Exciton Migration and Amplified Quenching on Two-Dimensional Metal-Organic Layers.","Journal of the American Chemical Society","2017","139","20","7020","7029","10.1021/jacs.7b02470","","","0.41328","","","0.1815","0.1255","","","0.3119","0.3328","","","","","","0.993","","","","has coordinates,has disorder","197429","2020-10-21","18:00:00",""
"4126030","3.9986","0.0008","6.92","0.0014","23.184","0.005","90","","90","","90","","641.5","0.2","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Bi2.17 Cd1.83 K1.83 S6 -","- Bi2.168 Cd1.828 K1.834 S6 -","- Bi4.336 Cd3.656 K3.668 S12 -","2","0.125","","Zhao, Jing; Islam, Saiful M.; Kontsevoi, Oleg Y.; Tan, Gangjian; Stoumpos, Constantinos C.; Chen, Haijie; Li, Rukang; Kanatzidis, Mercouri G.","The Two-Dimensional AxCdxBi4-xQ6 (A = K, Rb, Cs; Q = S, Se): Direct Bandgap Semiconductors and Ion-Exchange Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02243","","","0.71073","MoKα","","0.0355","0.0298","","","0.0732","0.076","","","","","","1.221","","","","has coordinates","196650","2020-10-21","18:00:00",""
"4126031","3.9968","0.0008","6.9243","0.0014","23.7","0.005","90","","90","","90","","655.9","0.2","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Bi2.46 Cd1.54 Rb1.53 S6 -","- Bi2.4748 Cd1.5268 Rb1.522 S6 -","- Bi4.9496 Cd3.0536 Rb3.044 S12 -","2","0.125","","Zhao, Jing; Islam, Saiful M.; Kontsevoi, Oleg Y.; Tan, Gangjian; Stoumpos, Constantinos C.; Chen, Haijie; Li, Rukang; Kanatzidis, Mercouri G.","The Two-Dimensional AxCdxBi4-xQ6 (A = K, Rb, Cs; Q = S, Se): Direct Bandgap Semiconductors and Ion-Exchange Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02243","","","0.71073","MoKα","","0.0597","0.0556","","","0.1155","0.1175","","","","","","1.23","","","","has coordinates","196651","2020-10-21","18:00:00",""
"4126032","4.1363","0.0008","7.1476","0.0014","25.047","0.005","90","","90","","90","","740.5","0.3","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Bi5.74 Cd2.26 Cs2.27 Se12 -","- Bi5.736 Cd2.2632 Cs2.268 Se12 -","- Bi5.736 Cd2.2632 Cs2.268 Se12 -","1","0.0625","","Zhao, Jing; Islam, Saiful M.; Kontsevoi, Oleg Y.; Tan, Gangjian; Stoumpos, Constantinos C.; Chen, Haijie; Li, Rukang; Kanatzidis, Mercouri G.","The Two-Dimensional AxCdxBi4-xQ6 (A = K, Rb, Cs; Q = S, Se): Direct Bandgap Semiconductors and Ion-Exchange Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02243","","","0.71073","MoKα","","0.0569","0.0488","","","0.1029","0.1078","","","","","","1.226","","","","has coordinates","196652","2020-10-21","18:00:00",""
"4126033","19.5368","0.0007","14.2533","0.0005","23.4566","0.0009","90","","90","","90","","6531.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ma_03_101","ma_03_101","","- C34 H43 Cl2 Cu N2 S -","- C34 H43 Cl2 Cu N2 S -","- C272 H344 Cl16 Cu8 N16 S8 -","8","1","","Mailig, Melrose; Hazra, Avijit; Armstrong, Megan K.; Lalic, Gojko","Catalytic Anti-Markovnikov Hydroallylation of Terminal and Functionalized Internal Alkynes: Synthesis of Skipped Dienes and Trisubstituted Alkenes.","Journal of the American Chemical Society","2017","139","20","6969","6977","10.1021/jacs.7b02104","","","0.71073","MoKα","","0.0474","0.0363","","","0.0854","0.0921","","","","","","1.043","","","","has coordinates","197430","2020-10-21","18:00:00",""
"4126034","12.249","0.003","17.855","0.004","22.121","0.005","90","","90","","90","","4838","1.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H67 Li N2 O3 S2 -","- C46 H67 Li N2 O3 S2 -","- C184 H268 Li4 N8 O12 S8 -","4","1","","Wang, Yuzhong; Hickox, Hunter P.; Xie, Yaoming; Wei, Pingrong; Blair, Soshawn A.; Johnson, Michael K.; Schaefer, 3rd, Henry F; Robinson, Gregory H.","A Stable Anionic Dithiolene Radical.","Journal of the American Chemical Society","2017","139","20","6859","6862","10.1021/jacs.7b03794","","","0.71073","MoKα","","0.1605","0.06","","","0.1234","0.163","","","","","","1.003","","","","has coordinates,has disorder","197431","2020-10-21","18:00:00",""
"4126035","12.332","0.002","17.934","0.003","16.802","0.003","90","","101.457","0.006","90","","3641.9","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H50 Li N2 O2 S3 -","- C35 H50 Li N2 O2 S3 -","- C140 H200 Li4 N8 O8 S12 -","4","1","","Wang, Yuzhong; Hickox, Hunter P.; Xie, Yaoming; Wei, Pingrong; Blair, Soshawn A.; Johnson, Michael K.; Schaefer, 3rd, Henry F; Robinson, Gregory H.","A Stable Anionic Dithiolene Radical.","Journal of the American Chemical Society","2017","139","20","6859","6862","10.1021/jacs.7b03794","","","0.71073","MoKα","","0.081","0.0566","","","0.1315","0.144","","","","","","1.031","","","","has coordinates","197431","2020-10-21","18:00:00",""
"4126036","14.9377","0.0006","14.9604","0.0006","37.2578","0.0015","90","","92.366","0.001","90","","8319.1","0.6","297","2","297","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C76 H112 Cl Ge Li N4 O6 S6 -","- C76 H112 Cl Ge Li N4 O6 S6 -","- C304 H448 Cl4 Ge4 Li4 N16 O24 S24 -","4","1","","Wang, Yuzhong; Hickox, Hunter P.; Xie, Yaoming; Wei, Pingrong; Blair, Soshawn A.; Johnson, Michael K.; Schaefer, 3rd, Henry F; Robinson, Gregory H.","A Stable Anionic Dithiolene Radical.","Journal of the American Chemical Society","2017","139","20","6859","6862","10.1021/jacs.7b03794","","","0.71073","MoKα","","0.0833","0.0534","","","0.1415","0.1607","","","","","","1.01","","","","has coordinates,has disorder","197431","2020-10-21","18:00:00",""
"4126037","8.499","0.003","9.1139","0.0017","10.798","0.003","91.404","0.018","104.88","0.02","116.48","0.02","714.1","0.4","293.8","0.3","293.8","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C32 H46 N2 O6 -","2","1","","Zhao, Xian-He; Zhang, Qing; Du, Ji-Yuan; Lu, Xin-Yun; Cao, Ye-Xing; Deng, Yu-Hua; Fan, Chun-An","Total Synthesis of (±)-Lycojaponicumin D and Lycodoline-Type Lycopodium Alkaloids.","Journal of the American Chemical Society","2017","139","20","7095","7103","10.1021/jacs.7b03280","","x-ray","0.71073","MoKα","","0.1005","0.059","","","0.1238","0.1542","","","","","","1.031","","","","has coordinates","197432","2020-10-21","18:00:00",""
"4126038","7.483","0.0003","13.0673","0.0007","17.5715","0.0008","90","","91.061","0.004","90","","1717.89","0.14","294.09","0.1","294.09","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl N O4 -","- C18 H24 Cl N O4 -","- C72 H96 Cl4 N4 O16 -","4","1","","Zhao, Xian-He; Zhang, Qing; Du, Ji-Yuan; Lu, Xin-Yun; Cao, Ye-Xing; Deng, Yu-Hua; Fan, Chun-An","Total Synthesis of (±)-Lycojaponicumin D and Lycodoline-Type Lycopodium Alkaloids.","Journal of the American Chemical Society","2017","139","20","7095","7103","10.1021/jacs.7b03280","","x-ray","0.71073","MoKα","","0.1072","0.0593","","","0.1189","0.1508","","","","","","1.032","","","","has coordinates","197432","2020-10-21","18:00:00",""
"4126039","10.853","0.0009","7.9767","0.0005","16.4717","0.0016","90","","107.414","0.01","90","","1360.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C64 H100 N4 O8 -","4","1","","Zhao, Xian-He; Zhang, Qing; Du, Ji-Yuan; Lu, Xin-Yun; Cao, Ye-Xing; Deng, Yu-Hua; Fan, Chun-An","Total Synthesis of (±)-Lycojaponicumin D and Lycodoline-Type Lycopodium Alkaloids.","Journal of the American Chemical Society","2017","139","20","7095","7103","10.1021/jacs.7b03280","","","0.71073","MoKα","","0.1407","0.0682","","","0.1487","0.1979","","","","","","1.052","","","","has coordinates","197432","2020-10-21","18:00:00",""
"4126040","11.1369","0.0019","12.47","0.002","17.657","0.003","77.331","0.002","75.898","0.002","66.044","0.002","2153.2","0.6","110","2","110","2","","","","","","","","9","P -1","-P 1","2","","","","- C38 H28 Cl F6 O6 P2 Pt S2 Sb -","- C38 H28 Cl F6 O6 P2 Pt S2 Sb -","- C76 H56 Cl2 F12 O12 P4 Pt2 S4 Sb2 -","2","1","","You, Di; Gabbaï, François P","Unmasking the Catalytic Activity of a Platinum Complex with a Lewis Acidic, Non-innocent Antimony Ligand.","Journal of the American Chemical Society","2017","139","20","6843","6846","10.1021/jacs.7b03287","","","0.71073","MoKα","","0.0336","0.0275","","","0.0652","0.0683","","","","","","1.037","","","","has coordinates,has disorder","197428","2020-10-21","18:00:00",""
"4126041","16.2209","0.0004","16.867","0.0005","36.8707","0.0009","79.205","0.002","81.682","0.001","88.126","0.002","9804.8","0.5","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C351.35 H440.52 Cl12 N64.17 O73.75 S12 -","- C351.34 H440.51 Cl12 N64.17 O73.75 S12 -","- C351.34 H440.51 Cl12 N64.17 O73.75 S12 -","1","1","","Teng, Peng; Ma, Ning; Cerrato, Darrell Cole; She, Fengyu; Odom, Timothy; Wang, Xiang; Ming, Li-June; van der Vaart, Arjan; Wojtas, Lukasz; Xu, Hai; Cai, Jianfeng","Right-Handed Helical Foldamers Consisting of De Novo d-AApeptides.","Journal of the American Chemical Society","2017","139","21","7363","7369","10.1021/jacs.7b03007","","","1.54178","CuKα","","0.1195","0.0748","","","0.1902","0.226","","","","","","1.01","","","","has coordinates,has disorder","197449","2020-10-21","18:00:00",""
"4126042","19.623","0.008","19.612","0.008","36.77","0.015","90","","90","","90","","14151","10","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C56 H103 N19 O23 S4 -","- C59.7333 H109.867 N20.2667 O24.5333 S4.26667 -","- C358.4 H659.2 N121.6 O147.2 S25.6 -","6","0.75","","Teng, Peng; Ma, Ning; Cerrato, Darrell Cole; She, Fengyu; Odom, Timothy; Wang, Xiang; Ming, Li-June; van der Vaart, Arjan; Wojtas, Lukasz; Xu, Hai; Cai, Jianfeng","Right-Handed Helical Foldamers Consisting of De Novo d-AApeptides.","Journal of the American Chemical Society","2017","139","21","7363","7369","10.1021/jacs.7b03007","","","0.41425","synchrotron","","0.1346","0.1081","","","0.2749","0.303","","","","","","1.051","","","","has coordinates,has disorder","197449","2020-10-21","18:00:00",""
"4126043","13.8067","0.0003","20.7486","0.0005","35.9788","0.0009","90","","90","","90","","10306.8","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C94 H121.5 Cl3 N15.5 O20.5 S3 -","- C94 H121.5 Cl3 N15.5 O20.5 S3 -","- C376 H486 Cl12 N62 O82 S12 -","4","1","","Teng, Peng; Ma, Ning; Cerrato, Darrell Cole; She, Fengyu; Odom, Timothy; Wang, Xiang; Ming, Li-June; van der Vaart, Arjan; Wojtas, Lukasz; Xu, Hai; Cai, Jianfeng","Right-Handed Helical Foldamers Consisting of De Novo d-AApeptides.","Journal of the American Chemical Society","2017","139","21","7363","7369","10.1021/jacs.7b03007","","","1.54178","CuKα","","0.0525","0.0481","","","0.1341","0.1388","","","","","","1.002","","","","has coordinates,has disorder","197449","2020-10-21","18:00:00",""
"4126044","16.29","0.003","7.9432","0.0013","18.521","0.003","90","","105.826","0.004","90","","2305.7","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N2 Si -","- C30 H26 N2 Si -","- C120 H104 N8 Si4 -","4","1","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","B(C6F5)3-Catalyzed (Convergent) Disproportionation Reaction of Indoles.","Journal of the American Chemical Society","2017","139","21","7399","7407","10.1021/jacs.7b03534","","","0.71073","MoKα","","0.1026","0.0541","","","0.1344","0.1609","","","","","","0.874","","","","has coordinates","197445","2020-10-21","18:00:00",""
"4126045","10.6463","0.0012","19.807","0.002","16.5261","0.0018","90","","96.816","0.002","90","","3460.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 F N Si -","- C21 H20 F N Si -","- C168 H160 F8 N8 Si8 -","8","2","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","B(C6F5)3-Catalyzed (Convergent) Disproportionation Reaction of Indoles.","Journal of the American Chemical Society","2017","139","21","7399","7407","10.1021/jacs.7b03534","","","0.71073","MoKα","","0.1689","0.1116","","","0.2208","0.2502","","","","","","1.169","","","","has coordinates","197445","2020-10-21","18:00:00",""
"4126046","11.945","0.002","26.364","0.005","15.094","0.003","90","","98.517","0.003","90","","4701","1.5","173","2","173.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C70 H68 N24 O4 -","- C70 H68 N24 O4 -","- C140 H136 N48 O8 -","2","0.25","","Lin, Yunxiao; Jiang, Xuanfeng; Kim, Samuel T.; Alahakoon, Sampath B.; Hou, Xisen; Zhang, Zhiyun; Thompson, Christina M.; Smaldone, Ronald A.; Ke, Chenfeng","An Elastic Hydrogen-Bonded Cross-Linked Organic Framework for Effective Iodine Capture in Water.","Journal of the American Chemical Society","2017","139","21","7172","7175","10.1021/jacs.7b03204","","","0.71073","MoKα","","0.1611","0.1103","","","0.3367","0.3706","","","","","","1.248","","","","has coordinates,has disorder","197446","2020-10-21","18:00:00",""
"4126047","9.1514","0.0003","10.2736","0.0003","18.5352","0.0006","92.4907","0.0018","90.7171","0.0016","114.438","0.0014","1584.13","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Mo N2 O P2 -","- C36 H38 Mo N2 O P2 -","- C72 H76 Mo2 N4 O2 P4 -","2","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0515","0.0353","","","0.0666","0.0699","","","","","","0.966","","","","has coordinates","197447","2020-10-21","18:00:00",""
"4126048","9.688","0.002","22.724","0.006","14.402","0.004","90","","96.751","0.008","90","","3148.6","1.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H45 Cl Mo N2 O P2 -","- C32 H45 Cl Mo N2 O P2 -","- C128 H180 Cl4 Mo4 N8 O4 P8 -","4","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.1345","0.0745","","","0.1166","0.1318","","","","","","1.122","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126049","12.0391","0.0007","14.0027","0.0008","21.2754","0.0012","90","","102.365","0.003","90","","3503.4","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H45 Cl5 Mo N2 O P2 -","- C32 H45 Cl5 Mo N2 O P2 -","- C128 H180 Cl20 Mo4 N8 O4 P8 -","4","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0836","0.0643","","","0.1723","0.1854","","","","","","1.036","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126050","9.7947","0.0014","10.5732","0.0016","14.69","0.002","96.291","0.006","109.186","0.006","96.237","0.007","1411.1","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 Mo N2 O P2 -","- C30 H42 Mo N2 O P2 -","- C60 H84 Mo2 N4 O2 P4 -","2","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0457","0.037","","","0.0881","0.0929","","","","","","1.041","","","","has coordinates","197447","2020-10-21","18:00:00",""
"4126051","11.2757","0.0006","16.421","0.0009","17.3077","0.001","90","","99.103","0.003","90","","3164.3","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H92 Mo2 N4 O2 P4 -","- C64 H92 Mo2 N4 O2 P4 -","- C128 H184 Mo4 N8 O4 P8 -","2","0.5","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0617","0.0408","","","0.097","0.1073","","","","","","1.025","","","","has coordinates","197447","2020-10-21","18:00:00",""
"4126052","41.684","0.003","13.0435","0.001","27.362","0.003","90","","116.837","0.008","90","","13275","2","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C64 H57 B F24.03 Mo N2 O P2 -","- C64 H57 B F24.0209 Mo N2 O P2 -","- C512 H456 B8 F192.167 Mo8 N16 O8 P16 -","8","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.1263","0.0559","","","0.1087","0.1321","","","","","","1.008","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126053","13.5265","0.0008","27.773","0.0016","16.8162","0.001","90","","106.004","0.003","90","","6072.5","0.6","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H61 B F23.97 Mo N2 O P2 -","- C58 H61 B F24.173 Mo N2 O P2 -","- C232 H244 B4 F96.692 Mo4 N8 O4 P8 -","4","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0746","0.0558","","","0.1366","0.1502","","","","","","1.063","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126054","13.2113","0.0005","13.651","0.0005","17.8513","0.0006","92.944","0.002","104.231","0.002","91.563","0.002","3113.9","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C62 H53 B F24 Mo N2 O P2 -","- C62 H53 B F24 Mo N2 O P2 -","- C124 H106 B2 F48 Mo2 N4 O2 P4 -","2","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0731","0.0498","","","0.1133","0.1253","","","","","","1.023","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126055","11.2286","0.001","17.0101","0.0015","18.6624","0.0017","80.605","0.006","73.299","0.005","74.608","0.006","3277.1","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C68 H49 B F24.28 Mo N2 O P2 -","- C68 H49 B F24.28 Mo N2 O P2 -","- C136 H98 B2 F48.56 Mo2 N4 O2 P4 -","2","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.2124","0.089","","","0.2054","0.252","","","","","","1.029","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126056","11.3495","0.0008","16.8735","0.0013","18.6417","0.0014","89.961","0.004","72.33","0.003","74.987","0.004","3273.7","0.4","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C68 H51 B F24 Mo N2 O P2 -","- C68 H51 B F24 Mo N2 O P2 -","- C136 H102 B2 F48 Mo2 N4 O2 P4 -","2","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0978","0.0629","","","0.1536","0.1709","","","","","","1.034","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126057","12.7123","0.0006","17.4489","0.0008","21.6927","0.0011","68.854","0.003","82.049","0.003","73.29","0.003","4295","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C93 H69.5 B F28.5 Mo N2 O P2 -","- C93 H69.5 B F28.5 Mo N2 O P2 -","- C186 H139 B2 F57 Mo2 N4 O2 P4 -","2","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0978","0.0618","","","0.1582","0.1807","","","","","","1.037","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126058","10.144","0.0007","23.5478","0.0017","27.059","0.0019","90","","96.564","0.004","90","","6421.2","0.8","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H59 B F24 Mo N2 O P2 -","- C64 H59 B F24 Mo N2 O P2 -","- C256 H236 B4 F96 Mo4 N8 O4 P8 -","4","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0932","0.06","","","0.1398","0.1555","","","","","","1.022","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126059","9.3013","0.0008","17.9188","0.0014","20.267","0.0017","107.945","0.003","96.254","0.004","98.054","0.003","3140.1","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C65 H57 B F24.5 Mo N2 O P2 -","- C65 H57 B F24.5 Mo N2 O P2 -","- C130 H114 B2 F49 Mo2 N4 O2 P4 -","2","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0874","0.0483","","","0.1139","0.1274","","","","","","1.042","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126060","12.3134","0.0017","15.661","0.002","20.705","0.003","90","","107.129","0.003","90","","3815.7","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Title","","- C43 H38 B Fe N6 P2 Rh -","- C43 H38 B Fe N6 P2 Rh -","- C172 H152 B4 Fe4 N24 P8 Rh4 -","4","1","","Ye, Fei; Chen, Junting; Ritter, Tobias","Rh-Catalyzed Anti-Markovnikov Hydrocyanation of Terminal Alkynes.","Journal of the American Chemical Society","2017","139","21","7184","7187","10.1021/jacs.7b03749","","","0.71073","Mo-Kα","","0.0473","0.0321","","","0.0694","0.0757","","","","","","1.042","","","","has coordinates","197448","2020-10-21","18:00:00",""
"4126061","14.068","0.003","14.068","0.003","12.289","0.002","90","0.03","90","0.03","90","0.03","2432.1","0.8","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C13 H3 In0.5 N3 O11 S -","- C12 H3 In0.5 N1.5 O9 S -","- C48 H12 In2 N6 O36 S4 -","4","0.5","","Lin, Jian-Bin; Romero, Zaida; Shimizu, George K. H.; Joarder, Biplab","Single Crystal Proton Conduction Study of a Metal Organic Framework of Modest Water Stability.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b03397","","","0.7107","MoKα","","0.0954","0.0803","","","0.2339","0.2561","","","","","","1.141","","","","has coordinates,has disorder","196824","2020-10-21","18:00:00",""
"4126062","6.4628","0.0003","12.406","0.0005","13.1362","0.0006","70.445","0.001","86.393","0.001","76.913","0.001","966.61","0.07","100","2","100","","","","","","","","","3","P 1","P 1","1","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","2","","Kawamata, Yu; Yan, Ming; Liu, Zhiqing; Bao, Deng-Hui; Chen, Jinshan; Starr, Jeremy T.; Baran, Phil S.","Scalable, Electrochemical Oxidation of Unactivated C-H Bonds.","Journal of the American Chemical Society","2017","139","22","7448","7451","10.1021/jacs.7b03539","","x-ray","1.54178","CuKα","K-L~3~","0.0293","0.0292","","","0.0823","0.0824","","","","","","1.052","","","","has coordinates,has disorder","200664","2020-10-21","18:00:00",""
"4126063","21.388","0.004","21.388","","12.031","0.004","90","","90","","90","","5504","2","298","","298","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C26 H20 N4 O6 Zn -","- C26 H20 N4 O6 Zn -","- C208 H160 N32 O48 Zn8 -","8","1","","Pei, Wen-Yuan; Xu, Guohai; Yang, Jin; Wu, Hui; Chen, Banglin; Zhou, Wei; Ma, Jian-Fang","Versatile Assembly of Metal-Coordinated Calix[4]resorcinarene Cavitands and Cages through Ancillary Linker Tuning.","Journal of the American Chemical Society","2017","139","22","7648","7656","10.1021/jacs.7b03169","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.04794","","4.46","","","","","","","has coordinates","199577","2020-10-21","18:00:00",""
"4126064","25.8236","0.001","25.8236","0.001","12.2441","0.0013","90","","90","","90","","8165.1","1","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C122 H126 N22 O32 Zn4 -","- C104 H80 N16 O24 Zn4 -","- C208 H160 N32 O48 Zn8 -","2","0.25","","Pei, Wen-Yuan; Xu, Guohai; Yang, Jin; Wu, Hui; Chen, Banglin; Zhou, Wei; Ma, Jian-Fang","Versatile Assembly of Metal-Coordinated Calix[4]resorcinarene Cavitands and Cages through Ancillary Linker Tuning.","Journal of the American Chemical Society","2017","139","22","7648","7656","10.1021/jacs.7b03169","","","0.71073","MoKα","","0.1845","0.0795","","","0.2131","0.2482","","","","","","0.854","","","","has coordinates","199577","2020-10-21","18:00:00",""
"4126065","19.3658","0.0016","19.5266","0.0018","27.211","0.002","85.809","0.004","83.726","0.003","64.922","0.003","9259.9","1.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C290 H282 N30 O62 Zn8 -","- C272 H232 N24 O56 Zn8 -","- C272 H232 N24 O56 Zn8 -","1","0.5","","Pei, Wen-Yuan; Xu, Guohai; Yang, Jin; Wu, Hui; Chen, Banglin; Zhou, Wei; Ma, Jian-Fang","Versatile Assembly of Metal-Coordinated Calix[4]resorcinarene Cavitands and Cages through Ancillary Linker Tuning.","Journal of the American Chemical Society","2017","139","22","7648","7656","10.1021/jacs.7b03169","","","0.71073","MoKα","","0.0986","0.0758","","","0.2307","0.2502","","","","","","1.099","","","","has coordinates","199577","2020-10-21","18:00:00",""
"4126066","26.2705","0.0007","26.2705","0.0007","12.6469","0.001","90","","90","","90","","8728.1","0.8","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C139 H123 N21 O29 Zn4 -","- C124 H88 N16 O24 Zn4 -","- C248 H176 N32 O48 Zn8 -","2","0.25","","Pei, Wen-Yuan; Xu, Guohai; Yang, Jin; Wu, Hui; Chen, Banglin; Zhou, Wei; Ma, Jian-Fang","Versatile Assembly of Metal-Coordinated Calix[4]resorcinarene Cavitands and Cages through Ancillary Linker Tuning.","Journal of the American Chemical Society","2017","139","22","7648","7656","10.1021/jacs.7b03169","","","0.71073","MoKα","","0.139","0.0771","","","0.2227","0.2532","","","","","","0.883","","","","has coordinates","199577","2020-10-21","18:00:00",""
"4126067","25.847","0.0009","25.847","0.0009","12.2338","0.0011","90","","90","","90","","8173","0.8","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C113 H99 N15 O32 Zn4 -","- C104 H76 N12 O28 Zn4 -","- C208 H152 N24 O56 Zn8 -","2","0.25","","Pei, Wen-Yuan; Xu, Guohai; Yang, Jin; Wu, Hui; Chen, Banglin; Zhou, Wei; Ma, Jian-Fang","Versatile Assembly of Metal-Coordinated Calix[4]resorcinarene Cavitands and Cages through Ancillary Linker Tuning.","Journal of the American Chemical Society","2017","139","22","7648","7656","10.1021/jacs.7b03169","","","0.71073","MoKα","","0.1617","0.0825","","","0.2375","0.2697","","","","","","0.796","","","","has coordinates","199577","2020-10-21","18:00:00",""
"4126068","11.3283","0.0003","12.3518","0.0003","17.8043","0.0006","94.985","0.003","91.707","0.002","116.401","0.003","2216.45","0.13","100","0.3","100","0.3","","","","","","","","3","P -1","-P 1","2","","","","- C133 H92 O -","- C133 H92 O -","- C133 H92 O -","1","0.5","","Liu, Junzhi; Ma, Ji; Zhang, Ke; Ravat, Prince; Machata, Peter; Avdoshenko, Stanislav M.; Hennersdorf, Felix; Komber, Hartmut; Pisula, Wojciech; Weigand, Jan J.; Popov, Alexey A.; Berger, Reinhard; Müllen, Klaus; Feng, Xinliang","π-Extended and Curved Anti-Aromatic Polycyclic Hydrocarbons.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01619","","x-ray","1.54184","CuKα","","0.046","0.0445","","","0.1167","0.1182","","","","","","1.035","","","","has coordinates","196947","2020-10-21","18:00:00",""
"4126069","15.4981","0.0017","9.1422","0.0007","15.922","0.0012","90","","98.939","0.01","90","","2228.5","0.3","100","0.2","100","0.2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C62 H56 -","- C62 H56 -","- C124 H112 -","2","0.5","","Liu, Junzhi; Ma, Ji; Zhang, Ke; Ravat, Prince; Machata, Peter; Avdoshenko, Stanislav M.; Hennersdorf, Felix; Komber, Hartmut; Pisula, Wojciech; Weigand, Jan J.; Popov, Alexey A.; Berger, Reinhard; Müllen, Klaus; Feng, Xinliang","π-Extended and Curved Anti-Aromatic Polycyclic Hydrocarbons.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01619","","x-ray","1.54184","CuKα","","0.096","0.0767","","","0.1939","0.2068","","","","","","1.063","","","","has coordinates","196948","2020-10-21","18:00:00",""
"4126070","9.4048","0.0005","9.2801","0.0005","17.2135","0.0009","90","","98.63","0.003","90","","1485.34","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","SVK3_32","","","- C23 H23 F18 Mo N O7 -","- C23 H23 F18 Mo N O7 -","- C46 H46 F36 Mo2 N2 O14 -","2","1","","von Kugelgen, Stephen; Sifri, Renee; Bellone, Donatela; Fischer, Felix R.","Regioselective Carbyne Transfer to Ring-Opening Alkyne Metathesis Initiators Gives Access to Telechelic Polymers.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02225","","","0.71073","MoKα","","0.0544","0.04","","","0.0768","0.082","","","","","","0.994","","","","has coordinates","196975","2020-10-21","18:00:00",""
"4126071","14.3977","0.0005","14.4686","0.0006","15.8068","0.0007","90","","100.49","0.002","90","","3237.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","SVK2_207","SVK2_207","","- C25 H29 F18 Mo N O5 -","- C25 H29 F18 Mo N O5 -","- C100 H116 F72 Mo4 N4 O20 -","4","1","","von Kugelgen, Stephen; Sifri, Renee; Bellone, Donatela; Fischer, Felix R.","Regioselective Carbyne Transfer to Ring-Opening Alkyne Metathesis Initiators Gives Access to Telechelic Polymers.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02225","","","0.71073","MoKα","","0.0426","0.0396","","","0.0997","0.1021","","","","","","1.051","","","","has coordinates","196976","2020-10-21","18:00:00",""
"4126072","9.7032","0.0006","11.2509","0.0008","14.4342","0.001","99.726","0.005","91.809","0.005","93.757","0.005","1548.33","0.18","100","2","100","2","","","","","","","","3","P -1","-P 1","2","compound 3","1,4.bis(9H-carbazol-9-yl)phenyl)ethynyl)benzene","","- C46 H28 N2 -","- C46 H28 N2 -","- C92 H56 N4 -","2","1","","Aguilar-Granda, Andrés; Pérez-Estrada, Salvador; Sánchez-González, Elı; Álvarez, J Raziel; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Roa, Arian E.; Hernández-Ortega, Simón; Ibarra, Ilich A.; Rodríguez-Molina, Braulio","Transient Porosity in Densely Packed Crystalline Carbazole-(p-Diethynylphenylene)-Carbazole Rotors: CO2 and Acetone Sorption Properties.","Journal of the American Chemical Society","2017","139","22","7549","7557","10.1021/jacs.7b02015","","","1.0333","synchrotron","","0.1392","0.1037","","","0.2382","0.2568","","","","","","1.035","","","","has coordinates,has disorder","200665","2020-10-21","18:00:00",""
"4126073","11.7531","0.0008","14.5081","0.0009","20.6459","0.0017","104.277","0.003","99.855","0.003","110.189","0.002","3072.4","0.4","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C80 H160 B80 O8 -","8","4","","Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M.","Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04080","","","0.71073","MoKα","","0.081","0.0598","","","0.15","0.166","","","","","","1.044","","","","has coordinates","197162","2020-10-21","18:00:00",""
"4126074","11.0205","0.0014","18.651","0.002","7.7745","0.0009","90","","103.99","0.005","90","","1550.6","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C40 H80 B40 O4 -","4","1","","Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M.","Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04080","","x-ray","0.71073","MoKα","K-L~3~","0.0832","0.0592","","","0.13","0.1403","","","","","","1.113","","","","has coordinates","197162","2020-10-21","18:00:00",""
"4126075","11.895","0.002","15.005","0.003","20.362","0.003","105.498","0.004","99.46","0.004","110.281","0.006","3149.5","1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C80 H160 B80 O8 -","8","4","","Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M.","Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04080","","x-ray","0.71073","MoKα","K-L~3~","0.0944","0.0589","","","0.147","0.1682","","","","","","1.053","","","","has coordinates","197162","2020-10-21","18:00:00",""
"4126076","7.834","","13.872","","14.386","","90","","90","","90","","1563.37","","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C40 H80 B40 O4 -","4","1","","Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M.","Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04080","","","1.54184","CuKα","","0.0618","0.0527","","","0.1384","0.1458","","","","","","1.08","","","","has coordinates","197162","2020-10-21","18:00:00",""
"4126077","8.6489","0.0005","13.1773","0.0008","13.8649","0.0011","90","","94.794","0.004","90","","1574.64","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C40 H80 B40 O4 -","4","1","","Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M.","Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04080","","x-ray","0.71073","MoKα","","0.0963","0.0694","","","0.2004","0.2206","","","","","","1.078","","","","has coordinates","197162","2020-10-21","18:00:00",""
"4126078","11.5496","0.0003","6.8211","0.0002","18.6932","0.0004","90","","94.936","0.001","90","","1467.21","0.07","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 B10 N O2 -","- C10 H15 B10 N O2 -","- C40 H60 B40 N4 O8 -","4","1","","Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M.","Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04080","","","1.54178","CuKα","","0.0586","0.0553","","","0.1297","0.1343","","","","","","1.086","","","","has coordinates","197162","2020-10-21","18:00:00",""
"4126079","7.0828","0.0001","7.5414","0.0001","27.6234","0.0005","90","","96.54","0.001","90","","1465.88","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 B10 N O2 -","- C10 H15 B10 N O2 -","- C40 H60 B40 N4 O8 -","4","1","","Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M.","Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04080","","","1.54178","CuKα","","0.0646","0.058","","","0.1585","0.1657","","","","","","1.043","","","","has coordinates","197162","2020-10-21","18:00:00",""
"4126080","6.8825","0.0001","34.5844","0.0005","12.4876","0.0002","90","","93.418","0.001","90","","2967.1","0.08","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 B10 N O2 -","- C10 H15 B10 N O2 -","- C80 H120 B80 N8 O16 -","8","2","","Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M.","Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04080","","","1.54178","CuKα","","0.071","0.0654","","","0.1551","0.1615","","","","","","1.09","","","","has coordinates","197162","2020-10-21","18:00:00",""
"4126081","32.31","0.004","14.892","0.002","17.754","0.002","90","","90","","90","","8542.5","1.8","100","","100","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C9 H18 B10 -","- C9 H18 B10 -","- C216 H432 B240 -","24","3","","Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M.","Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04080","","","0.71073","MoKα","","0.1104","0.0586","","","0.1267","0.1489","","","","","","1.036","","","","has coordinates","197162","2020-10-21","18:00:00",""
"4126082","4.8941","0.0012","11.54","0.003","11.594","0.003","70.969","0.002","85.557","0.003","80.892","0.003","611","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 N O2 -","- C17 H11 N O2 -","- C34 H22 N2 O4 -","2","1","","Watanabe, Takuma; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed Cycloisomerization of 2-Alkynylanilides: Synthesis of 3-Substituted Indoles by 1,2-Carbon Migration.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04564","","","0.71073","MoKα","","0.0479","0.0409","","","0.0996","0.1048","","","","","","1.044","","","","has coordinates,has disorder","197163","2020-10-21","18:00:00",""
"4126083","10.5326","0.0016","10.9014","0.0016","12.8169","0.0019","90","","114.097","0.002","90","","1343.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Watanabe, Takuma; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed Cycloisomerization of 2-Alkynylanilides: Synthesis of 3-Substituted Indoles by 1,2-Carbon Migration.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04564","","","0.71073","MoKα","","0.0521","0.0459","","","0.1139","0.1193","","","","","","1.117","","","","has coordinates","197164","2020-10-21","18:00:00",""
"4126084","12.0059","0.0013","12.0835","0.0013","19.337","0.002","90","","90","","90","","2805.3","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O -","- C18 H17 N O -","- C144 H136 N8 O8 -","8","1","","Watanabe, Takuma; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed Cycloisomerization of 2-Alkynylanilides: Synthesis of 3-Substituted Indoles by 1,2-Carbon Migration.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04564","","","0.71073","MoKα","","0.0453","0.0386","","","0.0999","0.106","","","","","","1.031","","","","has coordinates","197165","2020-10-21","18:00:00",""
"4126085","17.7958","0.001","16.933","0.0009","6.5073","0.0003","90","","90","","90","","1960.89","0.18","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H33 N -","- C22 H33 N -","- C88 H132 N4 -","4","1","","Tomás-Mendivil, Eder; Hansmann, Max M.; Weinstein, Cory M.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Bicyclic (Alkyl)(amino)carbenes (BICAACs): Stable Carbenes more Ambiphilic than CAACs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04640","","","0.71073","MoKα","","0.0497","0.0371","","","0.0832","0.0893","","","","","","1.064","","","","has coordinates,has disorder","197166","2020-10-21","18:00:00",""
"4126086","6.7049","0.0003","10.1042","0.0005","15.8157","0.0008","92.629","0.003","92.899","0.003","102.82","0.002","1041.64","0.09","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H37 N -","- C24 H37 N -","- C48 H74 N2 -","2","1","","Tomás-Mendivil, Eder; Hansmann, Max M.; Weinstein, Cory M.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Bicyclic (Alkyl)(amino)carbenes (BICAACs): Stable Carbenes more Ambiphilic than CAACs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04640","","x-ray","1.54178","CuKα","K-L~3~","0.0432","0.0375","","","0.0938","0.0981","","","","","","1.049","","","","has coordinates","197166","2020-10-21","18:00:00",""
"4126087","10.4452","0.0015","11.9506","0.0019","18.948","0.003","102.972","0.005","92.218","0.005","112.649","0.005","2106.4","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H66 Br2 Cu2 N2 -","- C44 H66 Br2 Cu2 N2 -","- C88 H132 Br4 Cu4 N4 -","2","1","","Tomás-Mendivil, Eder; Hansmann, Max M.; Weinstein, Cory M.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Bicyclic (Alkyl)(amino)carbenes (BICAACs): Stable Carbenes more Ambiphilic than CAACs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04640","","x-ray","0.71073","MoKα","K-L~3~","0.0631","0.0443","","","0.1193","0.1243","","","","","","1.034","","","","has coordinates","197166","2020-10-21","18:00:00",""
"4126088","14.939","0.002","10.5023","0.0014","29.448","0.004","90","","90","","90","","4620.2","1.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H37 Br Cu N -","- C24 H37 Br Cu N -","- C192 H296 Br8 Cu8 N8 -","8","1","","Tomás-Mendivil, Eder; Hansmann, Max M.; Weinstein, Cory M.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Bicyclic (Alkyl)(amino)carbenes (BICAACs): Stable Carbenes more Ambiphilic than CAACs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04640","","x-ray","0.71073","MoKα","K-L~3~","0.0725","0.0409","","","0.0754","0.0846","","","","","","1.017","","","","has coordinates,has disorder","197166","2020-10-21","18:00:00",""
"4126089","7.7624","0.0005","17.4793","0.001","29.6843","0.0016","90","","90","","90","","4027.6","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H33 N Se -","- C22 H33 N Se -","- C176 H264 N8 Se8 -","8","1","","Tomás-Mendivil, Eder; Hansmann, Max M.; Weinstein, Cory M.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Bicyclic (Alkyl)(amino)carbenes (BICAACs): Stable Carbenes more Ambiphilic than CAACs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04640","","x-ray","0.71073","MoKα","K-L~3~","0.0936","0.0503","","","0.096","0.1113","","","","","","1.021","","","","has coordinates","197166","2020-10-21","18:00:00",""
"4126090","17.6222","0.0007","7.8352","0.0003","15.0574","0.0006","90","","90","","90","","2079.03","0.14","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H35 N Se -","- C22 H35 N Se -","- C88 H140 N4 Se4 -","4","1","","Tomás-Mendivil, Eder; Hansmann, Max M.; Weinstein, Cory M.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Bicyclic (Alkyl)(amino)carbenes (BICAACs): Stable Carbenes more Ambiphilic than CAACs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04640","","x-ray","0.71073","MoKα","","0.0564","0.0347","","","0.0571","0.0626","","","","","","1.02","","","","has coordinates","197166","2020-10-21","18:00:00",""
"4126091","11.4293","0.0006","13.6674","0.0007","14.6206","0.0008","66.228","0.001","82.123","0.001","83.618","0.001","2066.43","0.19","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H126 I2 P2 Pd -","- C84 H126 I2 P2 Pd -","- C84 H126 I2 P2 Pd -","1","0.5","","Cinderella, Andrew P.; Vulovic, Bojan; Watson, Donald A.","Palladium-Catalyzed Cross-Coupling of Silyl Electrophiles with Alkylzinc Halides: A Silyl-Negishi Reaction.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04364","","","0.71073","MoKα","","0.0435","0.0349","","","0.081","0.0885","","","","","","1.052","","","","has coordinates","197167","2020-10-21","18:00:00",""
"4126092","39.828","0.014","39.828","0.014","39.828","0.014","90","","90","","90","","63178","4","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H52 F24 Hf6 O32 -","- C144 H48 F24 Hf6 O32 -","- C1152 H384 F192 Hf48 O256 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","","0.71073","MoKα","","0.1425","0.0739","","","0.1957","0.2661","","","","","","0.985","","","","has coordinates","197240","2020-10-21","18:00:00",""
"4126093","9.5707","0.0003","11.0072","0.0004","13.723","0.0005","74.409","0.003","74.79","0.003","75.265","0.003","1317.16","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 F2 N2 O6 -","- C30 H26 F2 N2 O6 -","- C60 H52 F4 N4 O12 -","2","1","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71075","MoKα","","0.075","0.0484","","","0.1137","0.1258","","","","","","1.018","","","","has coordinates","197241","2020-10-21","18:00:00",""
"4126094","17.248","0.012","4.784","0.003","12.021","0.008","90","","93.881","0.019","90","","989.6","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 F4 O4 -","- C26 H14 F4 O4 -","- C52 H28 F8 O8 -","2","0.5","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.1925","0.1301","","","0.3547","0.4055","","","","","","1.411","","","","has coordinates","197242","2020-10-21","18:00:00",""
"4126095","39.83167","0.00014","39.83167","0.00014","39.83167","0.00014","90","","90","","90","","63195.4","0.4","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H64 F12 O32 Zr6 -","- C144 H60 F12 O32 Zr6 -","- C1152 H480 F96 O256 Zr48 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.076","0.0695","","","0.1871","0.1907","","","","","","1.145","","","","has coordinates,has disorder","197243","2020-10-21","18:00:00",""
"4126096","27.696","0.005","27.696","","72.829","0.013","90","","90","","120","","48380","12","100","2","100.45","","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C51 H34 Fe3 N6 O13 -","- C51 H34 Fe3 N6 O13 -","- C918 H612 Fe54 N108 O234 -","18","","","Zhang, Feng-Ming; Dong, Long-Zhang; Qin, Jun-Sheng; Guan, Wei; Liu, Jiang; Li, Shun-Li; Lu, Meng; Lan, Ya-Qian; Su, Zhong-Min; Zhou, Hong-Cai","Effect of Imidazole Arrangements on Proton-Conductivity in Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","17","6183","6189","10.1021/jacs.7b01559","","x-ray","0.71073","MoKα","","0.121","0.0991","","","0.2242","0.2382","","","","","","1.125","","","","has coordinates,has disorder","197244","2020-10-21","18:00:00",""
"4126097","6.3437","0.0004","16.5128","0.0014","9.2201","0.0007","90","","109.431","0.004","90","","910.82","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 Br N O -","- C23 H18 Br N O -","- C46 H36 Br2 N2 O2 -","2","1","","Panda, Santanu; Ready, Joseph M.","Palladium Catalyzed Asymmetric Three-Component Coupling of Boronic Esters, Indoles, and Allylic Acetates.","Journal of the American Chemical Society","2017","139","17","6038","6041","10.1021/jacs.7b01410","","","0.71073","MoKα","","0.0212","0.0205","","","0.0535","0.0538","","","","","","1.044","","","","has coordinates","197245","2020-10-21","18:00:00",""
"4126098","19.8748","0.0019","9.4591","0.0009","20.538","0.002","90","","108.334","0.003","90","","3665.1","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 Br2 N -","- C21 H19 Br2 N -","- C168 H152 Br16 N8 -","8","4","","Panda, Santanu; Ready, Joseph M.","Palladium Catalyzed Asymmetric Three-Component Coupling of Boronic Esters, Indoles, and Allylic Acetates.","Journal of the American Chemical Society","2017","139","17","6038","6041","10.1021/jacs.7b01410","","","0.71073","MoKα","","0.0455","0.0349","","","0.0702","0.0752","","","","","","1.032","","","","has coordinates,has disorder","197246","2020-10-21","18:00:00",""
"4126099","9.5214","0.0014","10.1954","0.0018","12.8363","0.0017","100.977","0.004","110.01","0.014","90.035","0.006","1146.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 B N O2 -","- C27 H34 B N O2 -","- C54 H68 B2 N2 O4 -","2","1","","Panda, Santanu; Ready, Joseph M.","Palladium Catalyzed Asymmetric Three-Component Coupling of Boronic Esters, Indoles, and Allylic Acetates.","Journal of the American Chemical Society","2017","139","17","6038","6041","10.1021/jacs.7b01410","","","0.71073","MoKα","","0.0405","0.0374","","","0.098","0.1008","","","","","","1.027","","","","has coordinates","197247","2020-10-21","18:00:00",""
"4126100","7.85","0.002","6.0119","0.0016","7.995","0.002","90","","112.37","0.004","90","","348.92","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 B N -","- C8 H8 B N -","- C16 H16 B2 N2 -","2","0.5","","Liu, Zhiqiang; Ishibashi, Jacob S. A.; Darrigan, Clovis; Dargelos, Alain; Chrostowska, Anna; Li, Bo; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan","The Least Stable Isomer of BN Naphthalene: Toward Predictive Trends for the Optoelectronic Properties of BN Acenes.","Journal of the American Chemical Society","2017","139","17","6082","6085","10.1021/jacs.7b02661","","","0.71073","MoKα","","0.0395","0.038","","","0.1058","0.1079","","","","","","1.062","","","","has coordinates","197249","2020-10-21","18:00:00",""
"4126101","7.465","0.003","14.687","0.006","6.709","0.003","90","","103.79","0.007","90","","714.4","0.5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C8 H7 B F N -","- C8 H7 B F N -","- C32 H28 B4 F4 N4 -","4","2","","Liu, Zhiqiang; Ishibashi, Jacob S. A.; Darrigan, Clovis; Dargelos, Alain; Chrostowska, Anna; Li, Bo; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan","The Least Stable Isomer of BN Naphthalene: Toward Predictive Trends for the Optoelectronic Properties of BN Acenes.","Journal of the American Chemical Society","2017","139","17","6082","6085","10.1021/jacs.7b02661","","","0.71073","MoKα","","0.0468","0.0403","","","0.1094","0.1176","","","","","","1.066","","","","has coordinates","197250","2020-10-21","18:00:00",""
"4126102","13.09343","0.00011","10.40312","0.00009","19.9446","0.00016","90","","93.8233","0.0008","90","","2710.66","0.04","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 F8 N2 Ni O3 -","- C28 H30 F8 N2 Ni O3 -","- C112 H120 F32 N8 Ni4 O12 -","4","1","","Chong, Eugene; Kampf, Jeff W.; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S.","Oxidatively Induced C-H Activation at High Valent Nickel.","Journal of the American Chemical Society","2017","139","17","6058","6061","10.1021/jacs.7b02387","","","1.54184","CuKα","","0.0384","0.0363","","","0.0963","0.0987","","","","","","1.033","","","","has coordinates,has disorder","197251","2020-10-21","18:00:00",""
"4126103","15.88344","0.00009","12.97082","0.00011","8.60488","0.00005","90","","90","","90","","1772.79","0.02","85","2","85","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H11 F9 N2 Ni -","- C19 H11 F9 N2 Ni -","- C76 H44 F36 N8 Ni4 -","4","0.5","","Chong, Eugene; Kampf, Jeff W.; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S.","Oxidatively Induced C-H Activation at High Valent Nickel.","Journal of the American Chemical Society","2017","139","17","6058","6061","10.1021/jacs.7b02387","","","1.54184","CuKα","","0.0284","0.0283","","","0.0789","0.079","","","","","","1.079","","","","has coordinates,has disorder","197252","2020-10-21","18:00:00",""
"4126104","10.161","0.002","11.489","0.002","30.374","0.006","90","","90","","90","","3545.9","1.2","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H50 O7 Si2 -","- C31 H50 O7 Si2 -","- C124 H200 O28 Si8 -","4","1","","Chen, Dezhi; Evans, P. Andrew","A Concise, Efficient and Scalable Total Synthesis of Thapsigargin and Nortrilobolide from (R)-(-)-Carvone.","Journal of the American Chemical Society","2017","139","17","6046","6049","10.1021/jacs.7b01734","","","0.71073","MoKα","","0.054","0.041","","","0.098","0.1056","","","","","","1.03","","","","has coordinates,has disorder","197253","2020-10-21","18:00:00",""
"4126105","22.2432","0.0016","5.1818","0.0004","7.3296","0.0005","90","","100.94","0.002","90","","829.46","0.1","93","2","93","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0531","0.0367","","","0.0666","0.0716","","","","","","1.024","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126106","22.2521","0.0016","5.1837","0.0004","7.3301","0.0005","90","","101.04","0.002","90","","829.87","0.1","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0671","0.0426","","","0.0702","0.0774","","","","","","1.027","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126107","22.251","0.0016","5.1888","0.0004","7.3397","0.0005","90","","100.933","0.002","90","","832.03","0.1","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0646","0.0407","","","0.067","0.0733","","","","","","1.008","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126108","22.2551","0.0016","5.1918","0.0004","7.3461","0.0005","90","","100.931","0.002","90","","833.4","0.1","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0695","0.0432","","","0.0694","0.0762","","","","","","1.03","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126109","22.2721","0.0015","5.1991","0.0003","7.3568","0.0005","90","","100.904","0.002","90","","836.5","0.09","223","2","223","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.068","0.04","","","0.0642","0.0706","","","","","","1.023","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126110","22.2938","0.0015","5.2044","0.0004","7.3649","0.0005","90","","100.915","0.002","90","","839.06","0.1","273","2","273","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0566","0.0364","","","0.063","0.0682","","","","","","1.03","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126111","22.3078","0.0018","5.2074","0.0004","7.367","0.0006","90","","100.931","0.003","90","","840.26","0.12","323","2","323","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0631","0.039","","","0.0707","0.078","","","","","","1.027","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126112","22.351","0.002","5.2166","0.0004","7.3765","0.0006","90","","101.008","0.003","90","","844.25","0.12","363","2","363","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0762","0.0435","","","0.082","0.0916","","","","","","1.043","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126113","9.8055","0.001","13.4551","0.0013","15.5005","0.0015","67.404","0.002","88.581","0.002","83.35","0.002","1874.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H23 Cl9 D3 N O4 -","- C37 H23 Cl9 D3 N O4 -","- C74 H46 Cl18 D6 N2 O8 -","2","1","","Maier, Josef M.; Li, Ping; Vik, Erik C.; Yehl, Christopher J.; Strickland, Sharon M. S.; Shimizu, Ken D.","Measurement of Solvent OH-π Interactions Using a Molecular Balance.","Journal of the American Chemical Society","2017","139","19","6550","6553","10.1021/jacs.7b02349","","","0.71073","MoKα","","0.0649","0.0551","","","0.1463","0.1527","","","","","","1.04","","","","has coordinates","197255","2020-10-21","18:00:00",""
"4126114","6.9466","0.0005","7.5493","0.0005","13.1221","0.0009","97.113","0.002","100.141","0.002","104.254","0.002","646.39","0.08","200","","200","","","","","","","","","4","P 1","P 1","1","","","","- C32 H24 N4 O8 -","- C32 H24 N4 O8 -","- C32 H24 N4 O8 -","1","1","","Kim, Dong Jun; Hermann, Keith R.; Prokofjevs, Aleksandrs; Otley, Michael T.; Pezzato, Cristian; Owczarek, Magdalena; Stoddart, J. Fraser","Redox-Active Macrocycles for Organic Rechargeable Batteries.","Journal of the American Chemical Society","2017","139","19","6635","6643","10.1021/jacs.7b01209","","","1.54178","CuKα","","0.0244","0.0242","","","0.0674","0.0676","","","","","","1.06","","","","has coordinates","197256","2020-10-21","18:00:00",""
"4126115","27.492","0.003","5.2268","0.0007","27.504","0.005","90","","112.44","0.008","90","","3652.9","0.9","100","2","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C176 H192 N16 O32 -","8","2","","Kim, Dong Jun; Hermann, Keith R.; Prokofjevs, Aleksandrs; Otley, Michael T.; Pezzato, Cristian; Owczarek, Magdalena; Stoddart, J. Fraser","Redox-Active Macrocycles for Organic Rechargeable Batteries.","Journal of the American Chemical Society","2017","139","19","6635","6643","10.1021/jacs.7b01209","","","1.54178","CuKα","","0.1826","0.1487","","","0.3346","0.3623","","","","","","1.277","","","","has coordinates","197257","2020-10-21","18:00:00",""
"4126116","13.2953","0.0003","15.9523","0.0004","16.985","0.0004","90","","104.356","0.001","90","","3489.87","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 Pb -","- C39 H57 Pb -","- C156 H228 Pb4 -","4","1","","Schneider, Julia; Sindlinger, Christian P.; Eichele, Klaus; Schubert, Hartmut; Wesemann, Lars","Low-Valent Lead Hydride and Its Extreme Low-Field (1)H NMR Chemical Shift.","Journal of the American Chemical Society","2017","139","19","6542","6545","10.1021/jacs.7b01856","","","0.71073","MoKα","","0.0444","0.0282","","","0.0572","0.0616","","","","","","1.018","","","","has coordinates","197258","2020-10-21","18:00:00",""
"4126117","16.9857","0.0007","5.9677","0.0003","17.1136","0.0007","90","","112.883","0.001","90","","1598.21","0.12","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 Au N -","- C21 H14 Au N -","- C84 H56 Au4 N4 -","4","1","","Seki, Tomohiro; Tokodai, Noriaki; Omagari, Shun; Nakanishi, Takayuki; Hasegawa, Yasuchika; Iwasa, Takeshi; Taketsugu, Tetsuya; Ito, Hajime","Luminescent Mechanochromic 9-Anthryl Gold(I) Isocyanide Complex with an Emission Maximum at 900 nm after Mechanical Stimulation.","Journal of the American Chemical Society","2017","139","19","6514","6517","10.1021/jacs.7b00587","","","0.71075","MoKα","","0.0401","0.0376","","","0.0965","0.0981","","","","","","1.146","","","","has coordinates","197259","2020-10-21","18:00:00",""
"4126118","10.7971","0.0012","11.4825","0.0013","12.3601","0.0014","89.49","0.002","65.116","0.002","71.217","0.002","1301.7","0.3","213.5","","213.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H34 B N4 O2 P -","- C27 H34 B N4 O2 P -","- C54 H68 B2 N8 O4 P2 -","2","1","","Lin, Yi-Chun; Hatzakis, Emmanuel; McCarthy, Sean M.; Reichl, Kyle D.; Lai, Ting-Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","P-N Cooperative Borane Activation and Catalytic Hydroboration by a Distorted Phosphorous Triamide Platform.","Journal of the American Chemical Society","2017","139","16","6008","6016","10.1021/jacs.7b02512","","","0.71073","MoKα","","0.0659","0.0589","","","0.1701","0.1746","","","","","","1.267","","","","has coordinates","197260","2020-10-21","18:00:00",""
"4126119","18.021","0.0018","10.4127","0.0015","50.4404","0.0019","90","","90.378","0.003","90","","9464.8","1.7","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","CF050","","","- C26 H35 B O2 -","- C26 H35 B O2 -","- C416 H560 B16 O32 -","16","2","","Lik, Artur; Fritze, Lars; Müller, Lars; Helten, Holger","Catalytic B-C Coupling by Si/B Exchange: A Versatile Route to π-Conjugated Organoborane Molecules, Oligomers, and Polymers.","Journal of the American Chemical Society","2017","139","16","5692","5695","10.1021/jacs.7b01835","","","0.71073","MoKα","","0.152","0.0847","","","0.2258","0.2597","","","","","","1.06","","","","has coordinates,has disorder","197261","2020-10-21","18:00:00",""
"4126120","8.987","0.002","10.2","0.003","27.625","0.007","90","","93.447","0.004","90","","2527.7","1.1","100.15","","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H39 B -","- C30 H39 B -","- C120 H156 B4 -","4","1","","Lik, Artur; Fritze, Lars; Müller, Lars; Helten, Holger","Catalytic B-C Coupling by Si/B Exchange: A Versatile Route to π-Conjugated Organoborane Molecules, Oligomers, and Polymers.","Journal of the American Chemical Society","2017","139","16","5692","5695","10.1021/jacs.7b01835","","x-ray","0.71073","MoKα","","0.078","0.0533","","","0.1503","0.1608","","","","","","0.984","","","","has coordinates","197261","2020-10-21","18:00:00",""
"4126121","26.2225","0.0007","14.9508","0.0005","29.2628","0.0008","90","","99.579","0.002","90","","11312.4","0.6","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C60 H135 Ag Au20 S15 -","- C60 H135 Ag Au20 S15 -","- C240 H540 Ag4 Au80 S60 -","4","1","","Yang, Sha; Chai, Jinsong; Song, Yongbo; Fan, Jiqiang; Chen, Tao; Wang, Shuxin; Yu, Haizhu; Li, Xiaowu; Zhu, Manzhou","In Situ Two-Phase Ligand Exchange: A New Method for the Synthesis of Alloy Nanoclusters with Precise Atomic Structures.","Journal of the American Chemical Society","2017","139","16","5668","5671","10.1021/jacs.7b00668","","","1.54178","CuKα","","0.1157","0.0831","","","0.2223","0.2486","","","","","","1.041","","","","has coordinates","197262","2020-10-21","18:00:00",""
"4126122","26.1635","0.0017","15.0108","0.001","29.0512","0.0019","90","","99.1239","0.0009","90","","11265.1","1.3","296","2","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C60 H135 Ag5.2 Au15.81 S15 -","- C60 H135 Ag4.93 Au16.07 S15 -","- C240 H540 Ag19.72 Au64.28 S60 -","4","1","","Yang, Sha; Chai, Jinsong; Song, Yongbo; Fan, Jiqiang; Chen, Tao; Wang, Shuxin; Yu, Haizhu; Li, Xiaowu; Zhu, Manzhou","In Situ Two-Phase Ligand Exchange: A New Method for the Synthesis of Alloy Nanoclusters with Precise Atomic Structures.","Journal of the American Chemical Society","2017","139","16","5668","5671","10.1021/jacs.7b00668","","","0.71073","MoKα","","0.1415","0.0601","","","0.1267","0.156","","","","","","1.006","","","","has coordinates,has disorder","197263","2020-10-21","18:00:00",""
"4126123","17.4243","0.0012","9.9387","0.0007","11.9804","0.0008","90","","90.039","0.002","90","","2074.7","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N3 O6 -","- C22 H25 N3 O6 -","- C88 H100 N12 O24 -","4","1","","Ma, Xiaoshen; Dang, Hester; Rose, John A.; Rablen, Paul; Herzon, Seth B.","Hydroheteroarylation of Unactivated Alkenes Using N-Methoxyheteroarenium Salts.","Journal of the American Chemical Society","2017","139","16","5998","6007","10.1021/jacs.7b02388","","","0.71073","MoKα","","0.0405","0.0303","","","0.0818","0.0843","","","","","","1.033","","","","has coordinates","197264","2020-10-21","18:00:00",""
"4126124","29.723","0.002","5.8059","0.0004","38.396","0.003","90","","110.525","0.002","90","","6205.3","0.8","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N3 O6 -","- C22 H25 N3 O6 -","- C264 H300 N36 O72 -","12","3","","Ma, Xiaoshen; Dang, Hester; Rose, John A.; Rablen, Paul; Herzon, Seth B.","Hydroheteroarylation of Unactivated Alkenes Using N-Methoxyheteroarenium Salts.","Journal of the American Chemical Society","2017","139","16","5998","6007","10.1021/jacs.7b02388","","","1.54178","CuKα","","0.0658","0.042","","","0.0897","0.1013","","","","","","1.041","","","","has coordinates","197265","2020-10-21","18:00:00",""
"4126125","20.0813","0.0006","7.5198","0.0002","12.1237","0.0003","90","","91.565","0.001","90","","1830.09","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C80 H88 N8 O24 -","8","2","","Schäfer, Mathias; Peckelsen, Katrin; Paul, Mathias; Martens, Jonathan; Oomens, Jos; Berden, Giel; Berkessel, Albrecht; Meijer, Anthony J. H. M.","Hydrogen Tunneling above Room Temperature Evidenced by Infrared Ion Spectroscopy.","Journal of the American Chemical Society","2017","139","16","5779","5786","10.1021/jacs.6b10348","","","1.54178","CuKα","","0.0388","0.0354","","","0.0949","0.1038","","","","","","1.148","","","","has coordinates","197266","2020-10-21","18:00:00",""
"4126126","27.051","0.015","16.451","0.009","10.734","0.006","90","","90","","90","","4777","5","110","2","110.15","","","","","","","","","10","P n m a","-P 2ac 2n","62","","","","- C45 H39 Cl F6 N O6 P2 Pt S2 Sb -","- C45 H39 Cl F6 N O6 P2 Pt S2 Sb -","- C180 H156 Cl4 F24 N4 O24 P8 Pt4 S8 Sb4 -","4","0.5","","You, Di; Gabbaï, François P","Unmasking the Catalytic Activity of a Platinum Complex with a Lewis Acidic, Non-innocent Antimony Ligand.","Journal of the American Chemical Society","2017","139","20","6843","6846","10.1021/jacs.7b03287","","","0.71073","MoKα","","0.0459","0.0389","","","0.0899","0.0938","","","","","","1.103","","","","has coordinates,has disorder","197267","2020-10-21","18:00:00",""
"4126127","8.9044","0.0015","10.1505","0.0017","11.649","0.002","84.652","0.004","70.657","0.003","67.909","0.003","919.9","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C21 H20 F N O2 S -","- C21 H20 F N O2 S -","- C42 H40 F2 N2 O4 S2 -","2","2","","Wang, Dinghai; Wu, Lianqian; Wang, Fei; Wan, Xiaolong; Chen, Pinhong; Lin, Zhenyang; Liu, Guosheng","Asymmetric Copper-Catalyzed Intermolecular Aminoarylation of Styrenes: Efficient Access to Optical 2,2-Diarylethylamines.","Journal of the American Chemical Society","2017","139","20","6811","6814","10.1021/jacs.7b02455","","","0.71073","MoKα","","0.0648","0.0583","","","0.1534","0.1616","","","","","","1.046","","","","has coordinates","197268","2020-10-21","18:00:00",""
"4126128","42.669","0.007","21.909","0.003","24.6933","0.0006","90","","90","","90","","23084","5","77","","77","","","","","","","","","3","F m m 2","F 2 -2","42","","Hf-BTE-MOF-L","","- C68 Hf6 O29 -","- C68 Hf6 O29 -","- C544 Hf48 O232 -","8","0.5","","Cao, Lingyun; Lin, Zekai; Shi, Wenjie; Wang, Zi; Zhang, Cankun; Hu, Xuefu; Wang, Cheng; Lin, Wenbin","Exciton Migration and Amplified Quenching on Two-Dimensional Metal-Organic Layers.","Journal of the American Chemical Society","2017","139","20","7020","7029","10.1021/jacs.7b02470","","","0.41328","","","0.113","0.0937","","","0.2201","0.2407","","","","","","0.894","","","","has coordinates","197269","2020-10-21","18:00:00",""
"4126129","16.1139","0.0017","27.702","0.003","22.922","0.002","90","","90.854","0.002","90","","10231","1.8","100","0.5","100","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","neijk47","","","- C99.62 H162.25 Br Fe Mg O0.38 P2 Si3 -","- C99.623 H162.246 Br Fe Mg O0.377 P2 Si3 -","- C398.492 H648.984 Br4 Fe4 Mg4 O1.508 P8 Si12 -","4","1","","Kneebone, Jared L.; Brennessel, William W.; Neidig, Michael L.","Intermediates and Reactivity in Iron-Catalyzed Cross-Couplings of Alkynyl Grignards with Alkyl Halides.","Journal of the American Chemical Society","2017","139","20","6988","7003","10.1021/jacs.7b02363","","","0.71073","MoKα","","0.081","0.0463","","","0.0922","0.1061","","","","","","1.007","","","","has coordinates,has disorder","197270","2020-10-21","18:00:00",""
"4126130","13.9106","0.0009","25.8957","0.0017","26.9693","0.0018","90","","95.6239","0.0015","90","","9668.2","1.1","100","0.5","100","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","neijk48","","","- C95 H151 Br Fe Mg N2 P2 Si3 -","- C95 H151 Br Fe Mg N2 P2 Si3 -","- C380 H604 Br4 Fe4 Mg4 N8 P8 Si12 -","4","1","","Kneebone, Jared L.; Brennessel, William W.; Neidig, Michael L.","Intermediates and Reactivity in Iron-Catalyzed Cross-Couplings of Alkynyl Grignards with Alkyl Halides.","Journal of the American Chemical Society","2017","139","20","6988","7003","10.1021/jacs.7b02363","","","0.71073","MoKα","","0.0848","0.0597","","","0.1243","0.1355","","","","","","1.063","","","","has coordinates,has disorder","197270","2020-10-21","18:00:00",""
"4126131","12.944","0.003","13.667","0.003","29.998","0.007","84.342","0.005","87.967","0.005","63.56","0.005","4728.4","1.9","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","neijk63","","","- C90 H144 Br2 Fe Mg P2 Si2 -","- C90 H144 Br2 Fe Mg P2 Si2 -","- C180 H288 Br4 Fe2 Mg2 P4 Si4 -","2","1","","Kneebone, Jared L.; Brennessel, William W.; Neidig, Michael L.","Intermediates and Reactivity in Iron-Catalyzed Cross-Couplings of Alkynyl Grignards with Alkyl Halides.","Journal of the American Chemical Society","2017","139","20","6988","7003","10.1021/jacs.7b02363","","","0.71073","MoKα","","0.1211","0.0605","","","0.123","0.1447","","","","","","1.009","","","","has coordinates,has disorder","197270","2020-10-21","18:00:00",""
"4126132","14.4563","0.0017","30.137","0.004","18.788","0.002","90","","110.4","0.002","90","","7672","1.6","100","0.5","100","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","neijk64","","","- C77 H120 Br Fe O P2 Si -","- C77 H120 Br Fe O P2 Si -","- C308 H480 Br4 Fe4 O4 P8 Si4 -","4","1","","Kneebone, Jared L.; Brennessel, William W.; Neidig, Michael L.","Intermediates and Reactivity in Iron-Catalyzed Cross-Couplings of Alkynyl Grignards with Alkyl Halides.","Journal of the American Chemical Society","2017","139","20","6988","7003","10.1021/jacs.7b02363","","","0.71073","MoKα","","0.09","0.0535","","","0.1146","0.132","","","","","","1.01","","","","has coordinates,has disorder","197270","2020-10-21","18:00:00",""
"4126133","16.36","0.0009","19.2117","0.001","27.0378","0.0014","90","","90.482","0.001","90","","8497.8","0.8","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","neijk75","","","- C84 H130 Br Fe P2 Si2 -","- C84 H130 Br Fe P2 Si2 -","- C336 H520 Br4 Fe4 P8 Si8 -","4","1","","Kneebone, Jared L.; Brennessel, William W.; Neidig, Michael L.","Intermediates and Reactivity in Iron-Catalyzed Cross-Couplings of Alkynyl Grignards with Alkyl Halides.","Journal of the American Chemical Society","2017","139","20","6988","7003","10.1021/jacs.7b02363","","","0.71073","MoKα","","0.0801","0.043","","","0.0876","0.1","","","","","","1.015","","","","has coordinates,has disorder","197270","2020-10-21","18:00:00",""
"4126134","14.174","0.003","17.662","0.003","22.244","0.004","75.415","0.003","86.088","0.003","70.328","0.003","5073.8","1.7","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","neijk78","","","- C82 H116 Br2 Fe Mg2 O2 P2 -","- C82 H116 Br2 Fe Mg2 O2 P2 -","- C164 H232 Br4 Fe2 Mg4 O4 P4 -","2","1","","Kneebone, Jared L.; Brennessel, William W.; Neidig, Michael L.","Intermediates and Reactivity in Iron-Catalyzed Cross-Couplings of Alkynyl Grignards with Alkyl Halides.","Journal of the American Chemical Society","2017","139","20","6988","7003","10.1021/jacs.7b02363","","","0.71073","MoKα","","0.1366","0.0644","","","0.1485","0.1746","","","","","","0.972","","","","has coordinates,has disorder","197270","2020-10-21","18:00:00",""
"4126135","14.0458","0.0009","20.6508","0.0013","14.499","0.0009","90","","93.587","0.004","90","","4197.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","MA_03_102","MA_03_102","","- C45 H65 Cu N2 O Si -","- C45 H65 Cu N2 O Si -","- C180 H260 Cu4 N8 O4 Si4 -","4","1","","Mailig, Melrose; Hazra, Avijit; Armstrong, Megan K.; Lalic, Gojko","Catalytic Anti-Markovnikov Hydroallylation of Terminal and Functionalized Internal Alkynes: Synthesis of Skipped Dienes and Trisubstituted Alkenes.","Journal of the American Chemical Society","2017","139","20","6969","6977","10.1021/jacs.7b02104","","","0.71073","MoKα","","0.0818","0.0409","","","0.0876","0.1034","","","","","","0.996","","","","has coordinates,has disorder","197271","2020-10-21","18:00:00",""
"4126136","12.477","0.0009","8.3561","0.0003","15.4163","0.0008","90","","106.701","0.007","90","","1539.49","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H27 N O3 -","- C16 H27 N O3 -","- C64 H108 N4 O12 -","4","1","","Zhao, Xian-He; Zhang, Qing; Du, Ji-Yuan; Lu, Xin-Yun; Cao, Ye-Xing; Deng, Yu-Hua; Fan, Chun-An","Total Synthesis of (±)-Lycojaponicumin D and Lycodoline-Type Lycopodium Alkaloids.","Journal of the American Chemical Society","2017","139","20","7095","7103","10.1021/jacs.7b03280","","x-ray","0.71073","MoKα","","0.0821","0.0524","","","0.1105","0.1288","","","","","","1.055","","","","has coordinates","197272","2020-10-21","18:00:00",""
"4126137","18.5033","0.0009","10.5908","0.0005","68.072","0.002","90","","91.094","0.004","90","","13337.3","1","100","2","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C77 H74.5 N8 O8.5 -","- C77 H70.5 N8 O8.5 -","- C616 H564 N64 O68 -","8","1","","Leigh, David A.; Marcos, Vanesa; Nalbantoglu, Tugrul; Vitorica-Yrezabal, Iñigo J; Yasar, F. Tuba; Zhu, Xiaokang","Pyridyl-Acyl Hydrazone Rotaxanes and Molecular Shuttles.","Journal of the American Chemical Society","2017","139","20","7104","7109","10.1021/jacs.7b03307","","x-ray","1.54184","CuKα","","0.1161","0.0921","","","0.2452","0.2641","","","","","","1.044","","","","has coordinates,has disorder","197273","2020-10-21","18:00:00",""
"4126138","12.916","0.003","7.5579","0.0017","25.872","0.005","90","","99.551","0.009","90","","2490.6","0.9","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C112 H96 N16 O24 S8 -","8","4","","Kornahrens, Anne F.; Cognetta, 3rd, Armand B; Brody, Daniel M.; Matthews, Megan L.; Cravatt, Benjamin F.; Boger, Dale L.","Design of Benzoxathiazin-3-one 1,1-Dioxides as a New Class of Irreversible Serine Hydrolase Inhibitors: Discovery of a Uniquely Selective PNPLA4 Inhibitor.","Journal of the American Chemical Society","2017","139","20","7052","7061","10.1021/jacs.7b02985","","","0.71073","MoKα","","0.123","0.0849","","","0.2013","0.2263","","","","","","1.116","","","","has coordinates","197274","2020-10-21","18:00:00",""
"4126139","7.3868","0.0002","11.9333","0.0004","15.7316","0.0004","90","","98.146","0.001","90","","1372.73","0.07","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O4 S -","- C15 H10 N2 O4 S -","- C60 H40 N8 O16 S4 -","4","1","","Kornahrens, Anne F.; Cognetta, 3rd, Armand B; Brody, Daniel M.; Matthews, Megan L.; Cravatt, Benjamin F.; Boger, Dale L.","Design of Benzoxathiazin-3-one 1,1-Dioxides as a New Class of Irreversible Serine Hydrolase Inhibitors: Discovery of a Uniquely Selective PNPLA4 Inhibitor.","Journal of the American Chemical Society","2017","139","20","7052","7061","10.1021/jacs.7b02985","","x-ray","0.71073","MoKα","","0.0323","0.0291","","","0.0759","0.0783","","","","","","1.059","","","","has coordinates","197275","2020-10-21","18:00:00",""
"4126140","6.3237","0.0014","13.019","0.003","15.609","0.004","90","","91.713","0.014","90","","1284.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C56 H48 N8 O12 S4 -","4","1","","Kornahrens, Anne F.; Cognetta, 3rd, Armand B; Brody, Daniel M.; Matthews, Megan L.; Cravatt, Benjamin F.; Boger, Dale L.","Design of Benzoxathiazin-3-one 1,1-Dioxides as a New Class of Irreversible Serine Hydrolase Inhibitors: Discovery of a Uniquely Selective PNPLA4 Inhibitor.","Journal of the American Chemical Society","2017","139","20","7052","7061","10.1021/jacs.7b02985","","","0.71073","MoKα","","0.099","0.0503","","","0.1032","0.1209","","","","","","0.986","","","","has coordinates","197276","2020-10-21","18:00:00",""
"4126141","13.2883","0.0012","13.0485","0.0016","26.3951","0.0012","90","","92.308","0.007","90","","4573","0.7","100","2","100.15","","","","","","","","dichloromethane","8","P 1 21/n 1","-P 2yn","14","","Title","","- C62 H80 Cl14 F24 N8 P4 Rh2 Sb4 -","- C62 H80 Cl14 F24 N8 P4 Rh2 Sb4 -","- C124 H160 Cl28 F48 N16 P8 Rh4 Sb8 -","2","0.5","","Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel","α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.","Journal of the American Chemical Society","2017","139","13","4948","4953","10.1021/jacs.7b01441","","","0.71073","MoKα","","0.0672","0.0593","","","0.1638","0.1762","","","","","","1.054","","","","has coordinates,has disorder","197277","2020-10-21","18:00:00",""
"4126142","27.455","0.002","8.9353","0.0007","19.0572","0.0014","90","","125.169","0.002","90","","3821.7","0.5","100","2","100","","","","","","","","Methanol_Diethylether","2","C 1 2/c 1","-C 2yc","15","","ddd","","- C28 H22 -","- C28 H22 -","- C224 H176 -","8","1","","Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel","α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.","Journal of the American Chemical Society","2017","139","13","4948","4953","10.1021/jacs.7b01441","","","1.54178","Cu-Kα","","0.0383","0.0371","","","0.0975","0.0986","","","","","","1.034","","","","has coordinates","197278","2020-10-21","18:00:00",""
"4126143","19.5245","0.0008","12.172","0.0011","17.6079","0.001","90","","102.298","0.004","90","","4088.5","0.5","100","2","100.15","","","","","","","","acetonitrile","7","P 1 21/c 1","-P 2ybc","14","","Title","","- C37 H44 B2 Cl2 F8 N4 P2 -","- C37 H44 B2 Cl2 F8 N4 P2 -","- C148 H176 B8 Cl8 F32 N16 P8 -","4","1","","Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel","α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.","Journal of the American Chemical Society","2017","139","13","4948","4953","10.1021/jacs.7b01441","","","0.71073","MoKα","","0.042","0.0342","","","0.0892","0.0949","","","","","","1.052","","","","has coordinates","197279","2020-10-21","18:00:00",""
"4126144","17.976","0.006","14.1503","0.0012","17.202","0.005","90","","100.4","0.03","90","","4304","2","100","","100","","","","","","","","acetone,DCM","9","P 1 21/c 1","-P 2ybc","14","","Title","","- C29 H36 Cl2 F12 I2 N4 P2 Pt Sb2 -","- C29 H36 Cl2 F12 I2 N4 P2 Pt Sb2 -","- C116 H144 Cl8 F48 I8 N16 P8 Pt4 Sb8 -","4","1","","Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel","α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.","Journal of the American Chemical Society","2017","139","13","4948","4953","10.1021/jacs.7b01441","","","0.71073","MoKα","","0.042","0.0342","","","0.0832","0.0883","","","","","","1.051","","","","has coordinates","197280","2020-10-21","18:00:00",""
"4126145","14.408","0.003","15.791","0.004","24.221","0.003","90","","90","","90","","5510.7","1.9","103","2","103","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C54 H72 B2 Cl3 Cu3 N4 -","- C54 H72 B2 Cl3 Cu3 N4 -","- C216 H288 B8 Cl12 Cu12 N16 -","4","0.5","","Braunschweig, Holger; Dellermann, Theresa; Dewhurst, Rian D.; Hupp, Benjamin; Kramer, Thomas; Mattock, James D.; Mies, Jan; Phukan, Ashwini K.; Steffen, Andreas; Vargas, Alfredo","Strongly Phosphorescent Transition Metal π-Complexes of Boron-Boron Triple Bonds.","Journal of the American Chemical Society","2017","139","13","4887","4893","10.1021/jacs.7b00766","","","0.71073","MoKα","","0.0422","0.0316","","","0.0787","0.084","","","","","","1.028","","","","has coordinates","197281","2020-10-21","18:00:00",""
"4126146","21.5235","0.0009","12.3413","0.0005","25.5747","0.0011","90","","110.501","0.001","90","","6363.1","0.5","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H90 B2 Cu2 N4 Si2 -","- C64 H90 B2 Cu2 N4 Si2 -","- C256 H360 B8 Cu8 N16 Si8 -","4","1","","Braunschweig, Holger; Dellermann, Theresa; Dewhurst, Rian D.; Hupp, Benjamin; Kramer, Thomas; Mattock, James D.; Mies, Jan; Phukan, Ashwini K.; Steffen, Andreas; Vargas, Alfredo","Strongly Phosphorescent Transition Metal π-Complexes of Boron-Boron Triple Bonds.","Journal of the American Chemical Society","2017","139","13","4887","4893","10.1021/jacs.7b00766","","","0.71073","MoKα","","0.0358","0.03","","","0.0772","0.0805","","","","","","1.026","","","","has coordinates","197281","2020-10-21","18:00:00",""
"4126147","14.58","0.007","16.059","0.009","24.981","0.013","90","","93.26","0.04","90","","5840","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H78 B2 Cl2 Cu2 N4 -","- C60 H78 B2 Cl2 Cu2 N4 -","- C240 H312 B8 Cl8 Cu8 N16 -","4","1","","Braunschweig, Holger; Dellermann, Theresa; Dewhurst, Rian D.; Hupp, Benjamin; Kramer, Thomas; Mattock, James D.; Mies, Jan; Phukan, Ashwini K.; Steffen, Andreas; Vargas, Alfredo","Strongly Phosphorescent Transition Metal π-Complexes of Boron-Boron Triple Bonds.","Journal of the American Chemical Society","2017","139","13","4887","4893","10.1021/jacs.7b00766","","","0.71073","MoKα","","0.0816","0.0448","","","0.0987","0.1137","","","","","","1.025","","","","has coordinates","197281","2020-10-21","18:00:00",""
"4126148","33.1271","0.0007","33.1271","0.0007","10.8586","0.0003","90","","90","","120","","10319.8","0.4","100","2","100","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C84 H87 N9 -","- C84 H87 N9 -","- C504 H522 N54 -","6","0.333333","","Ke, Xian-Sheng; Kim, Taeyeon; Brewster, 2nd, James T; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Expanded Rosarin: A Versatile Fullerene (C60) Receptor.","Journal of the American Chemical Society","2017","139","13","4627","4630","10.1021/jacs.7b00735","","","1.54184","CuKα","","0.0417","0.0358","","","0.0849","0.0884","","","","","","1.032","","","","has coordinates","197282","2020-10-21","18:00:00",""
"4126149","19.2543","0.0004","20.7309","0.0004","29.5488","0.0006","85.803","0.001","82.661","0.001","74.247","0.001","11249.5","0.4","120","","120","","","","","","","","","7","P -1","-P 1","2","[LCo3(C6H16N2)3]_3TFPB_2H2O_1.5MeOH","","","- C217.5 H196 B3 Co3 F72 N12 O15.5 -","- C217.5 H196 B3 Co3 F72 N12 O15.5 -","- C435 H392 B6 Co6 F144 N24 O31 -","2","1","","Akine, Shigehisa; Miyashita, Masato; Nabeshima, Tatsuya","A Metallo-molecular Cage That Can Close the Apertures with Coordination Bonds.","Journal of the American Chemical Society","2017","139","13","4631","4634","10.1021/jacs.7b00840","","","0.71073","MoKα","","0.1469","0.0791","","","0.1801","0.2166","","","","","","1.093","","","","has coordinates,has disorder","197283","2020-10-21","18:00:00",""
"4126150","15.119","0.002","20.012","0.003","17.444","0.003","90","","96.09","0.004","90","","5248.1","1.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","La2c2@C2-C98 3CS2","La2c2@C2-C98 3CS2","","- C103 La2 S6 -","- C103 La1.9996 S6 -","- C412 La7.9984 S24 -","4","1","","Zhao, Shasha; Zhao, Pei; Cai, Wenting; Bao, Lipiao; Chen, Muqing; Xie, Yunpeng; Zhao, Xiang; Lu, Xing","Stabilization of Giant Fullerenes C2(41)-C90, D3(85)-C92, C1(132)-C94, C2(157)-C96, and C1(175)-C98 by Encapsulation of a Large La2C2 Cluster: The Importance of Cluster-Cage Matching.","Journal of the American Chemical Society","2017","139","13","4724","4728","10.1021/jacs.6b11970","","","0.71073","MoKα","","0.0909","0.0803","","","0.2152","0.2252","","","","","","1.04","","","","has coordinates","197284","2020-10-21","18:00:00",""
"4126151","17.2709","0.0008","19.3481","0.0006","22.494","0.001","85.767","0.005","80.923","0.007","84.766","0.009","7378","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 Cl32.12 O1.07 V0.71 -","- C84 Cl32.1257 O1.0665 V0.7112 -","- C336 Cl128.503 O4.266 V2.8448 -","4","2","","Jin, Fei; Yang, Shangfeng; Kemnitz, Erhard; Troyanov, Sergey I.","Skeletal Transformation of a Classical Fullerene C88 into a Nonclassical Fullerene Chloride C84Cl30 Bearing Quaternary Sequentially Fused Pentagons.","Journal of the American Chemical Society","2017","139","13","4651","4654","10.1021/jacs.7b01490","","","0.895","synchrotron","","0.0717","0.0618","","","0.1446","0.1494","","","","","","0.999","","","","has coordinates","197285","2020-10-21","18:00:00",""
"4126152","10.89189","0.00007","11.24945","0.00008","14.39801","0.00009","90","","90","","90","","1764.16","0.02","150","0.1","150","0.1","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Sanchez-Sanchez, Ana; Rivilla, Ivan; Agirre, Maddalen; Basterretxea, Andere; Etxeberria, Agustin; Veloso, Antonio; Sardon, Haritz; Mecerreyes, David; Cossío, Fernando P","Enantioselective Ring-Opening Polymerization of rac-Lactide Dictated by Densely Substituted Amino Acids.","Journal of the American Chemical Society","2017","139","13","4805","4814","10.1021/jacs.6b13080","","x-ray","1.54184","CuKα","","0.03","0.0298","","","0.077","0.0771","","","","","","1.059","","","","has coordinates","197286","2020-10-21","18:00:00",""
"4126153","22.12","0.0017","22.8814","0.0016","9.7523","0.0007","90","","90","","90","","4936","0.6","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","compound4","compound4","","- C57 H63 O P2 Rh S Si -","- C57 H63 O P2 Rh S Si -","- C228 H252 O4 P8 Rh4 S4 Si4 -","4","1","","Lee, Taegyo; Hartwig, John F.","Mechanistic Studies on Rhodium-Catalyzed Enantioselective Silylation of Aryl C-H Bonds.","Journal of the American Chemical Society","2017","139","13","4879","4886","10.1021/jacs.7b00737","","","0.71073","MoKα","","0.0224","0.0207","","","0.0457","0.0466","","","","","","1.048","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4126154","17.2315","0.0015","12.7392","0.0011","19.4043","0.0016","90","","90","","90","","4259.5","0.6","100","2","100.04","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C30.44 H68.49 Mn4.39 N8 O1.17 -","- C30.436 H68.481 Mn4.391 N8 O1.173 -","- C121.744 H273.924 Mn17.564 N32 O4.692 -","4","0.5","","Vaddypally, Shivaiah; Kondaveeti, Sandeep K.; Karki, Santosh; Van Vliet, Megan M.; Levis, Robert J.; Zdilla, Michael J.","Reactive Pendant Mn═O in a Synthetic Structural Model of a Proposed S4 State in the Photosynthetic Oxygen Evolving Complex.","Journal of the American Chemical Society","2017","139","13","4675","4681","10.1021/jacs.6b05906","","","0.71073","MoKα","","0.0285","0.0267","","","0.0645","0.0662","","","","","","1.083","","","","has coordinates,has disorder","197288","2020-10-21","18:00:00",""
"4126155","34.7647","0.0011","34.7647","0.0011","10.8425","0.0004","90","","90","","120","","11348.5","0.7","100","2","99.95","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C28 H64 Mn4 N8 -","- C28 H63.625 Mn4 N8 -","- C336 H763.5 Mn48 N96 -","12","0.666667","","Vaddypally, Shivaiah; Kondaveeti, Sandeep K.; Karki, Santosh; Van Vliet, Megan M.; Levis, Robert J.; Zdilla, Michael J.","Reactive Pendant Mn═O in a Synthetic Structural Model of a Proposed S4 State in the Photosynthetic Oxygen Evolving Complex.","Journal of the American Chemical Society","2017","139","13","4675","4681","10.1021/jacs.6b05906","","","0.71073","MoKα","","0.023","0.0215","","","0.0543","0.0551","","","","","","1.042","","","","has coordinates,has disorder","208816","2020-10-21","18:00:00",""
"4126156","9.801","0.0002","29.7197","0.0007","16.1655","0.0004","90","","95.389","0.001","90","","4687.92","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Cu2((1,4-bis(4-tolyl)-1,2,3-triazolide)DPFN](NTf2)","","","- C48 H34 Cu2 F8 N10 O4 S2 -","- C48 H34 Cu2 F8 N10 O4 S2 -","- C192 H136 Cu8 F32 N40 O16 S8 -","4","1","","Ziegler, Micah S.; Lakshmi, K. V.; Tilley, T. Don","Dicopper Cu(I)Cu(I) and Cu(I)Cu(II) Complexes in Copper-Catalyzed Azide-Alkyne Cycloaddition.","Journal of the American Chemical Society","2017","139","15","5378","5386","10.1021/jacs.6b13261","","","0.71073","MoKα","","0.0384","0.0332","","","0.085","0.0881","","","","","","1.027","","","","has coordinates,has disorder","197289","2020-10-21","18:00:00",""
"4126157","5.1711","0.0002","8.6014","0.0002","38.2861","0.0012","90","","90","","90","","1702.92","0.09","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 F4 N O4 S -","- C16 H17 F4 N O4 S -","- C64 H68 F16 N4 O16 S4 -","4","1","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","1.54178","CuKα","","0.0723","0.0712","","","0.1529","0.1549","","","","","","1.054","","","","has coordinates","197290","2020-10-21","18:00:00",""
"4126158","5.8162","0.0008","14.731","0.002","14.1976","0.0019","90","","95.494","0.003","90","","1210.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H35 O6 P -","- C23 H35 O6 P -","- C46 H70 O12 P2 -","2","1","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","0.71073","MoKα","","0.0776","0.06","","","0.1218","0.131","","","","","","1.001","","","","has coordinates,has disorder","197291","2020-10-21","18:00:00",""
"4126159","11.5579","0.0003","13.5603","0.0004","14.1952","0.0004","90","","90","","90","","2224.79","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 Cl N3 O5 -","- C25 H20 Cl N3 O5 -","- C100 H80 Cl4 N12 O20 -","4","1","","Rombola, Michael; Sumaria, Chintan S.; Montgomery, Thomas D.; Rawal, Viresh H.","Development of Chiral, Bifunctional Thiosquaramides: Enantioselective Michael Additions of Barbituric Acids to Nitroalkenes.","Journal of the American Chemical Society","2017","139","15","5297","5300","10.1021/jacs.7b01115","","","1.54178","CuKα","","0.0235","0.023","","","0.0602","0.0605","","","","","","1.02","","","","has coordinates","197292","2020-10-21","18:00:00",""
"4126160","12.1129","0.0009","12.7793","0.001","13.0678","0.001","69.583","0.002","68.112","0.002","75.921","0.002","1744.1","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H46 N6 O9 -","- C34 H46 N6 O9 -","- C68 H92 N12 O18 -","2","1","","Shen, Jie; Ren, Changliang; Zeng, Huaqiang","Surprisingly High Selectivity and High Affinity in Mercury Recognition by H-Bonded Cavity-Containing Aromatic Foldarands.","Journal of the American Chemical Society","2017","139","15","5387","5396","10.1021/jacs.6b13342","","","0.71073","MoKα","","0.1344","0.0642","","","0.1561","0.1967","","","","","","1.016","","","","has coordinates,has disorder","197293","2020-10-21","18:00:00",""
"4126161","8.0948","0.0003","6.72581","0.00017","9.5368","0.0003","90","","110.999","0.004","90","","484.74","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H8 F3 N O2 -","- C10 H8 F3 N O2 -","- C20 H16 F6 N2 O4 -","2","1","","Tinoco, Antonio; Steck, Viktoria; Tyagi, Vikas; Fasan, Rudi","Highly Diastereo- and Enantioselective Synthesis of Trifluoromethyl-Substituted Cyclopropanes via Myoglobin-Catalyzed Transfer of Trifluoromethylcarbene.","Journal of the American Chemical Society","2017","139","15","5293","5296","10.1021/jacs.7b00768","","x-ray","1.54184","CuKα","","0.0303","0.0294","","","0.0791","0.0796","","","","","","1.065","","","","has coordinates","197294","2020-10-21","18:00:00",""
"4126162","8.3602","0.0006","20.2111","0.0016","23.8869","0.0017","90","","90","","90","","4036.1","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40.75 H10.75 B Cl2.25 F12 N11 -","- C40.75 H10.75 B Cl2.25 F12 N11 -","- C163 H43 B4 Cl9 F48 N44 -","4","1","","Winterfeld, Kim A.; Lavarda, Giulia; Guilleme, Julia; Sekita, Michael; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni","Subphthalocyanines Axially Substituted with a Tetracyanobuta-1,3-diene-Aniline Moiety: Synthesis, Structure, and Physicochemical Properties.","Journal of the American Chemical Society","2017","139","15","5520","5529","10.1021/jacs.7b01460","","","0.71073","MoKα","","0.2302","0.1484","","","0.3648","0.4047","","","","","","1.344","","","","has coordinates","197295","2020-10-21","18:00:00",""
"4126163","12.4697","0.0019","11.1813","0.0015","16.959","0.003","90","","101.431","0.003","90","","2317.6","0.6","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H39 Fe2 N P2 Si2 -","- C12 H39 Fe2 N P2 Si2 -","- C48 H156 Fe8 N4 P8 Si8 -","4","1","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.031","0.0271","","","0.0744","0.0769","","","","","","1.066","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126164","12.2","","12.193","","21.38","","90","","96.986","","90","","3156.76","","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H43 Fe2 N P2 Si2 -","- C25 H43 Fe2 N P2 Si2 -","- C100 H172 Fe8 N4 P8 Si8 -","4","1","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.0508","0.0447","","","0.1285","0.1338","","","","","","1.086","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126165","12.824","0.002","19.427","0.003","12.822","0.002","90","","119.741","0.004","90","","2773.6","0.8","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H102 Fe4 N2 P4 Si4 -","- C36 H102 Fe4 N2 P4 Si4 -","- C72 H204 Fe8 N4 P8 Si8 -","2","0.5","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.0474","0.0326","","","0.0692","0.0751","","","","","","1.051","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126166","9.093","0.0015","17.649","0.003","18.004","0.003","90","","104.213","0.002","90","","2800.9","0.8","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H51 Fe3 P5 -","- C15 H51 Fe3 P5 -","- C60 H204 Fe12 P20 -","4","1","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.0367","0.0305","","","0.0778","0.0813","","","","","","1.097","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126167","56.57","0.02","9.416","0.003","20.221","0.009","90","","109.6","0.001","90","","10147","7","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H82 Fe4 N4 Si8 -","- C31 H82 Fe4 N4 Si8 -","- C248 H656 Fe32 N32 Si64 -","8","1","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.0661","0.0491","","","0.1556","0.1606","","","","","","1.139","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126168","11.6275","0.0011","12.8701","0.001","13.8878","0.001","68.049","0.004","80.992","0.005","84.412","0.006","1902.1","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H46 Fe2 P2 S -","- C36.5 H46 Fe2 P2 S -","- C73 H92 Fe4 P4 S2 -","2","1","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.0449","0.041","","","0.1318","0.135","","","","","","1.1","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126169","17.01","","14.8254","","27.41","","90","","104.343","","90","","6696.8","","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H94 Fe4 N2 O P2 Si6 -","- C55 H94 Fe4 N2 O P2 Si6 -","- C220 H376 Fe16 N8 O4 P8 Si24 -","4","1","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.0544","0.0455","","","0.1185","0.1221","","","","","","0.935","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126170","14.5261","0.0014","14.9231","0.0014","19.419","0.002","87.674","0.006","84.043","0.006","62.903","0.004","3727.1","0.6","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H114 Fe6.4 N6 Si12 -","- C42 H114 Fe6.4 N6 Si12 -","- C84 H228 Fe12.8 N12 Si24 -","2","1","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.0854","0.0626","","","0.1849","0.2001","","","","","","0.881","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126171","9.961","0.005","14.995","0.005","23.36","0.005","90","0.005","101.013","0.005","90","0.005","3425","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl2 Co3 Mn N3 O14 -","- C26 H32 Cl2 Co3 Mn N3 O14 -","- C104 H128 Cl8 Co12 Mn4 N12 O56 -","4","1","","Nguyen, Andy I.; Suess, Daniel L. M.; Darago, Lucy E.; Oyala, Paul H.; Levine, Daniel S.; Ziegler, Micah S.; Britt, R. David; Tilley, T. Don","Manganese-Cobalt Oxido Cubanes Relevant to Manganese-Doped Water Oxidation Catalysts.","Journal of the American Chemical Society","2017","139","15","5579","5587","10.1021/jacs.7b01792","","","0.71073","MoKα","","0.0835","0.0684","","","0.1626","0.1746","","","","","","1.035","","","","has coordinates","197297","2020-10-21","18:00:00",""
"4126172","14.9291","0.0004","19.8299","0.0005","23.3866","0.0007","90","","95.45","0.002","90","","6892.1","0.3","100","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H0 Cl Co3 Mn N3 O12 -","- C24.5 H30 Cl4 Co3 Mn N3 O12 -","- C196 H240 Cl32 Co24 Mn8 N24 O96 -","8","2","","Nguyen, Andy I.; Suess, Daniel L. M.; Darago, Lucy E.; Oyala, Paul H.; Levine, Daniel S.; Ziegler, Micah S.; Britt, R. David; Tilley, T. Don","Manganese-Cobalt Oxido Cubanes Relevant to Manganese-Doped Water Oxidation Catalysts.","Journal of the American Chemical Society","2017","139","15","5579","5587","10.1021/jacs.7b01792","","","0.71073","MoKα","","0.0867","0.0569","","","0.1303","0.1464","","","","","","1.028","","","","has coordinates","197298","2020-10-21","18:00:00",""
"4126173","17.957","0.005","11.196","0.005","21.836","0.005","90","0.005","90","0.005","90","0.005","4390","3","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C13.5 H17.5 Cl4 Co1.5 Mn0.5 N2.5 O8 -","- C13.5 H17.5 Cl4 Co1.5 Mn0.5 N2.5 O8 -","- C108 H140 Cl32 Co12 Mn4 N20 O64 -","8","1","","Nguyen, Andy I.; Suess, Daniel L. M.; Darago, Lucy E.; Oyala, Paul H.; Levine, Daniel S.; Ziegler, Micah S.; Britt, R. David; Tilley, T. Don","Manganese-Cobalt Oxido Cubanes Relevant to Manganese-Doped Water Oxidation Catalysts.","Journal of the American Chemical Society","2017","139","15","5579","5587","10.1021/jacs.7b01792","","","0.71073","MoKα","","0.0623","0.0515","","","0.1579","0.1721","","","","","","1.047","","","","has coordinates","197299","2020-10-21","18:00:00",""
"4126174","11.348","0.005","25.096","0.014","15.243","0.007","90","","99.341","0.009","90","","4283","4","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","ain8159","","","- C30 H36 Cl4 Co3 F6 Mn N4 O12 P -","- C30 H36 Cl4 Co3 F6 Mn N4 O12 P -","- C120 H144 Cl16 Co12 F24 Mn4 N16 O48 P4 -","4","0.5","","Nguyen, Andy I.; Suess, Daniel L. M.; Darago, Lucy E.; Oyala, Paul H.; Levine, Daniel S.; Ziegler, Micah S.; Britt, R. David; Tilley, T. Don","Manganese-Cobalt Oxido Cubanes Relevant to Manganese-Doped Water Oxidation Catalysts.","Journal of the American Chemical Society","2017","139","15","5579","5587","10.1021/jacs.7b01792","","","0.71073","MoKα","","0.0798","0.0515","","","0.1333","0.1729","","","","","","1.06","","","","has coordinates,has disorder","197300","2020-10-21","18:00:00",""
"4126175","9.8618","0.0004","6.3632","0.0002","11.405","0.0006","90","","112.453","0.005","90","","661.44","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 Cl3 O -","- C12 H13 Cl3 O -","- C24 H26 Cl6 O2 -","2","1","","Tan, Yu; Luo, Shilong; Li, Dongmei; Zhang, Nan; Jia, Shiqi; Liu, Yidong; Qin, Wenling; Song, Choong Eui; Yan, Hailong","Enantioselective Synthesis of anti-syn-Trihalides and anti-syn-anti-Tetrahalides via Asymmetric β-Elimination.","Journal of the American Chemical Society","2017","139","18","6431","6436","10.1021/jacs.7b02076","","","0.71073","MoKα","","0.045","0.0354","","","0.08","0.0874","","","","","","1.046","","","","has coordinates","197301","2020-10-21","18:00:00",""
"4126176","10.6982","0.0005","30.0863","0.0014","13.1081","0.0006","90","","103.64","0.001","90","","4100.1","0.3","230","2","230","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H39 Cl2 Fe N7 O8 -","- C44 H39 Cl2 Fe N7 O8 -","- C176 H156 Cl8 Fe4 N28 O32 -","4","1","","Phan, Hoa; Hrudka, Jeremy J.; Igimbayeva, Dilyara; Lawson Daku, Latévi M; Shatruk, Michael","A Simple Approach for Predicting the Spin State of Homoleptic Fe(II) Tris-diimine Complexes.","Journal of the American Chemical Society","2017","139","18","6437","6447","10.1021/jacs.7b02098","","","0.71073","MoKα","","0.0627","0.0466","","","0.1276","0.1436","","","","","","1.049","","","","has coordinates,has disorder","197302","2020-10-21","18:00:00",""
"4126177","13.464","0.003","16.332","0.004","13.454","0.003","90","","96.9226","0.0019","90","","2936.9","1.2","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Cl3 N2 Nb -","- C28 H40 Cl3 N2 Nb -","- C112 H160 Cl12 N8 Nb4 -","4","1","","Nishiyama, Haruka; Ikeda, Hideaki; Saito, Teruhiko; Kriegel, Benjamin; Tsurugi, Hayato; Arnold, John; Mashima, Kazushi","Structural and Electronic Noninnocence of α-Diimine Ligands on Niobium for Reductive C-Cl Bond Activation and Catalytic Radical Addition Reactions.","Journal of the American Chemical Society","2017","139","18","6494","6505","10.1021/jacs.7b02710","","","0.71075","MoKα","","0.0324","0.0303","","","0.0766","0.0781","","","","","","1.035","","","","has coordinates","197303","2020-10-21","18:00:00",""
"4126178","10.3441","0.001","12.4185","0.0011","21.662","0.002","90","","90.088","0.005","90","","2782.7","0.4","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 Cl3 N2 Nb -","- C26 H36 Cl3 N2 Nb -","- C104 H144 Cl12 N8 Nb4 -","4","1","","Nishiyama, Haruka; Ikeda, Hideaki; Saito, Teruhiko; Kriegel, Benjamin; Tsurugi, Hayato; Arnold, John; Mashima, Kazushi","Structural and Electronic Noninnocence of α-Diimine Ligands on Niobium for Reductive C-Cl Bond Activation and Catalytic Radical Addition Reactions.","Journal of the American Chemical Society","2017","139","18","6494","6505","10.1021/jacs.7b02710","","","0.71075","MoKα","","0.1432","0.0993","","","0.263","0.2978","","","","","","1.054","","","","has coordinates","197303","2020-10-21","18:00:00",""
"4126179","8.9239","0.0008","8.9564","0.0009","10.7523","0.001","83.181","0.003","71.363","0.003","67.662","0.003","753.21","0.13","113","","113","","","","","","","","","5","P 1","P 1","1","","","","- C28 H40 Cl4 N2 Nb -","- C28 H40 Cl4 N2 Nb -","- C28 H40 Cl4 N2 Nb -","1","1","","Nishiyama, Haruka; Ikeda, Hideaki; Saito, Teruhiko; Kriegel, Benjamin; Tsurugi, Hayato; Arnold, John; Mashima, Kazushi","Structural and Electronic Noninnocence of α-Diimine Ligands on Niobium for Reductive C-Cl Bond Activation and Catalytic Radical Addition Reactions.","Journal of the American Chemical Society","2017","139","18","6494","6505","10.1021/jacs.7b02710","","","0.71075","MoKα","","0.0757","0.0608","","","0.1589","0.1865","","","","","","1.01","","","","has coordinates","197303","2020-10-21","18:00:00",""
"4126180","10.4231","0.0009","12.6112","0.0009","21.4888","0.0015","90.1387","0.0018","90.051","0.003","90.043","0.003","2824.6","0.4","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 Cl4 N2 Nb -","- C26 H36 Cl4 N2 Nb -","- C104 H144 Cl16 N8 Nb4 -","4","2","","Nishiyama, Haruka; Ikeda, Hideaki; Saito, Teruhiko; Kriegel, Benjamin; Tsurugi, Hayato; Arnold, John; Mashima, Kazushi","Structural and Electronic Noninnocence of α-Diimine Ligands on Niobium for Reductive C-Cl Bond Activation and Catalytic Radical Addition Reactions.","Journal of the American Chemical Society","2017","139","18","6494","6505","10.1021/jacs.7b02710","","","0.71075","MoKα","","","0.0872","","","","0.2344","","","","","","1.043","","","","has coordinates","197303","2020-10-21","18:00:00",""
"4126181","15.1156","0.0012","13.154","0.0008","24.238","0.003","90","","104.615","0.004","90","","4663.3","0.7","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H72 Cl4 N3 Nb -","- C42 H72 Cl4 N3 Nb -","- C168 H288 Cl16 N12 Nb4 -","4","1","","Nishiyama, Haruka; Ikeda, Hideaki; Saito, Teruhiko; Kriegel, Benjamin; Tsurugi, Hayato; Arnold, John; Mashima, Kazushi","Structural and Electronic Noninnocence of α-Diimine Ligands on Niobium for Reductive C-Cl Bond Activation and Catalytic Radical Addition Reactions.","Journal of the American Chemical Society","2017","139","18","6494","6505","10.1021/jacs.7b02710","","","0.71075","MoKα","","","0.0608","","","","0.1613","","","","","","1.127","","","","has coordinates","197303","2020-10-21","18:00:00",""
"4126182","35.943","0.003","35.943","0.003","35.943","0.003","90","","90","","90","","46435","7","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","ZIF-360","","","- C18.8 H14.1 N9.7 O3.4 Zn2 -","- C18.8 H14.1 N9.7 O3.4 Zn2 -","- C902.4 H676.8 N465.6 O163.2 Zn96 -","48","0.5","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","1.2399","synchrotron","","0.066","0.0597","","","0.1815","0.1875","","","","","","1.095","","","","has coordinates,has disorder","197304","2020-10-21","18:00:00",""
"4126183","22.688","0.003","22.688","0.003","22.688","0.003","90","","90","","90","","11679","3","100","2","100","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","ZIF-376","","","- C7.25 H5.75 N4.25 O0.5 Zn -","- C7.25 H5.625 N4.25 O0.5 Zn -","- C174 H135 N102 O12 Zn24 -","24","0.5","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","1.54178","CuKα","","0.1366","0.1189","","","0.3241","0.3415","","","","","","1.092","","","","has coordinates,has disorder","197305","2020-10-21","18:00:00",""
"4126184","26.9457","0.0015","26.9457","0.0015","26.763","0.002","90","","90","","120","","16828.5","1.8","298","2","298","2","","","","","","","","6","R -3","-R 3","148","ZIF-303","","","- C7.5 H4 Cl0.5 N4.25 O0.5 Zn -","- C7.5 H4 Cl0.5 N4.25 O0.5 Zn -","- C270 H144 Cl18 N153 O18 Zn36 -","36","","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","0.7749","synchrotron","","0.2176","0.1247","","","0.3101","0.4031","","","","","","1.189","","","","has coordinates,has disorder","197306","2020-10-21","18:00:00",""
"4126185","25.9453","0.0006","25.9453","0.0006","19.5015","0.0006","90","","90","","120","","11368.8","0.5","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","ZIF-410","","","- C11 H7 Cl N4 O Zn -","- C11 H7 Cl N4 O Zn -","- C264 H168 Cl24 N96 O24 Zn24 -","24","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","1.54178","CuKα","","0.0765","0.0692","","","0.2403","0.2506","","","","","","1.138","","","","has coordinates,has disorder","197307","2020-10-21","18:00:00",""
"4126186","14.912","0.0005","21.0584","0.0007","7.2943","0.0003","90","","101.1","0.002","90","","2247.73","0.14","100","2","100","","","","","","","","","6","C 1 c 1","C -2yc","9","BAD1-BE","","","- C28 H25 B F2 N2 O2 -","- C28 H25 B F2 N2 O2 -","- C112 H100 B4 F8 N8 O8 -","4","1","","Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Savoie, Huguette; Flanagan, Keith J.; Sy, Cindy; Sitte, Elisabeth; Telitchko, Maxime; Laquai, Frédéric; Boyle, Ross W.; Senge, Mathias O.","Generation of Triplet Excited States via Photoinduced Electron Transfer in meso-anthra-BODIPY: Fluorogenic Response toward Singlet Oxygen in Solution and in Vitro.","Journal of the American Chemical Society","2017","139","18","6282","6285","10.1021/jacs.7b00551","","x-ray","1.54178","CuKα","","0.0613","0.058","","","0.1602","0.1639","","","","","","1.054","","","","has coordinates,has disorder","197308","2020-10-21","18:00:00",""
"4126187","14.258","0.0014","17.7595","0.0018","18.3616","0.0018","90","","106.098","0.003","90","","4467.1","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 Cl14 P2 Sb2 -","- C31 H34 Cl14 P2 Sb2 -","- C124 H136 Cl56 P8 Sb8 -","4","1","","Schevenels, Florian T.; Shen, Minxing; Snyder, Scott A.","Isolable and Readily Handled Halophosphonium Pre-reagents for Hydro- and Deuteriohalogenation.","Journal of the American Chemical Society","2017","139","18","6329","6337","10.1021/jacs.6b12653","","","0.71073","MoKα","","0.067","0.0394","","","0.0783","0.087","","","","","","1.013","","","","has coordinates","197309","2020-10-21","18:00:00",""
"4126188","9.845","0.002","17.109","0.004","12.769","0.003","90","","98.083","0.005","90","","2129.4","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N Si -","- C27 H23 N Si -","- C108 H92 N4 Si4 -","4","1","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","B(C6F5)3-Catalyzed (Convergent) Disproportionation Reaction of Indoles.","Journal of the American Chemical Society","2017","139","21","7399","7407","10.1021/jacs.7b03534","","","0.71073","MoKα","","0.0797","0.059","","","0.1582","0.1735","","","","","","1.093","","","","has coordinates","197310","2020-10-21","18:00:00",""
"4126189","6.5876","0.0005","11.5796","0.0009","23.9814","0.0019","90","","90","","90","","1829.3","0.2","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.","Versatile Construction of 6-Substituted cis-2,8-Dioxabicyclo[3.3.0]octan-3-ones: Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C.","Journal of the American Chemical Society","2017","139","21","7192","7195","10.1021/jacs.7b04265","","","0.71073","MoKα","","0.0343","0.032","","","0.0822","0.084","","","","","","1.034","","","","has coordinates","197311","2020-10-21","18:00:00",""
"4126190","5.9182","0.0012","11.437","0.002","23.063","0.005","84.78","0.03","89.98","0.03","74.96","0.03","1500.9","0.6","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H10 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","2","","Ott, Amy A.; Goshey, Charles S.; Topczewski, Joseph J.","Dynamic Kinetic Resolution of Allylic Azides via Asymmetric Dihydroxylation.","Journal of the American Chemical Society","2017","139","23","7737","7740","10.1021/jacs.7b04203","","","1.54178","CuKα","","0.0572","0.0482","","","0.1128","0.1178","","","","","","1.059","","","","has coordinates","200671","2020-10-21","18:00:00",""
"4126191","6.029","0.0002","10.7498","0.0004","11.652","0.0004","90","","92.969","0.001","90","","754.16","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C34 H38 N6 O4 -","2","1","","Ott, Amy A.; Goshey, Charles S.; Topczewski, Joseph J.","Dynamic Kinetic Resolution of Allylic Azides via Asymmetric Dihydroxylation.","Journal of the American Chemical Society","2017","139","23","7737","7740","10.1021/jacs.7b04203","","","1.54178","CuKα","","0.0288","0.0273","","","0.0704","0.0711","","","","","","1.026","","","","has coordinates","200671","2020-10-21","18:00:00",""
"4126192","41.7868","0.0004","41.7868","0.0004","41.7868","0.0004","90","","90","","90","","72965.5","1.2","296","2","296.15","","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C720 H816 Cu24 N48 O152 Zn32 -","- C720 H816 Cu24 N48 O152 Zn32 -","- C1440 H1632 Cu48 N96 O304 Zn64 -","2","0.0208333","","Xia, Qingchun; Li, Zijian; Tan, Chunxia; Liu, Yan; Gong, Wei; Cui, Yong","Multivariate Metal-Organic Frameworks as Multifunctional Heterogeneous Asymmetric Catalysts for Sequential Reactions.","Journal of the American Chemical Society","2017","139","24","8259","8266","10.1021/jacs.7b03113","","","1.54178","CuKα","","0.1709","0.1242","","","0.364","0.4225","","","","","","1.566","","","","has coordinates,has disorder","200657","2020-10-21","18:00:00",""
"4126193","25.4241","0.0007","25.4241","0.0007","30.4446","0.0008","90","","90","","90","","19678.9","0.9","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","","","","- C77 H24 Cu12 N28 O39 Zn12 -","- C77 H24 Cu12 N28 O39 Zn12 -","- C154 H48 Cu24 N56 O78 Zn24 -","2","0.125","","Tu, Binbin; Pang, Qingqing; Xu, Huoshu; Li, Xiaomin; Wang, Yulin; Ma, Zhen; Weng, Linhong; Li, Qiaowei","Reversible Redox Activity in Multicomponent Metal-Organic Frameworks Constructed from Trinuclear Copper Pyrazolate Building Blocks.","Journal of the American Chemical Society","2017","139","23","7998","8007","10.1021/jacs.7b03578","","","1.54178","CuKα","","0.0761","0.0584","","","0.1701","0.1766","","","","","","1.095","","","","has coordinates","200672","2020-10-21","18:00:00",""
"4126194","38.3063","0.0006","38.3063","0.0006","47.3759","0.0017","90","","90","","120","","60204","3","258","2","258","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C144 H72 Cu24 N46 O91 Zn24 -","- C144 H72 Cu24 N46 O91 Zn24 -","- C432 H216 Cu72 N138 O273 Zn72 -","3","0.25","","Tu, Binbin; Pang, Qingqing; Xu, Huoshu; Li, Xiaomin; Wang, Yulin; Ma, Zhen; Weng, Linhong; Li, Qiaowei","Reversible Redox Activity in Multicomponent Metal-Organic Frameworks Constructed from Trinuclear Copper Pyrazolate Building Blocks.","Journal of the American Chemical Society","2017","139","23","7998","8007","10.1021/jacs.7b03578","","","1.54178","CuKα","","0.1322","0.0779","","","0.1519","0.1603","","","","","","1.034","","","","has coordinates","200672","2020-10-21","18:00:00",""
"4126195","3.8141","0.0005","5.585","0.0008","14.3443","0.0019","95.385","0.009","96.169","0.009","94.844","0.008","301.07","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 N2 O2 S2 -","- C14 H10 N2 O2 S2 -","- C14 H10 N2 O2 S2 -","1","0.5","","Liu, Xuncheng; He, Bo; Anderson, Christopher L.; Kang, Jun; Chen, Teresa; Chen, Jinxiang; Feng, Shizhen; Zhang, Lianjie; Kolaczkowski, Matthew A.; Teat, Simon J.; Brady, Michael A.; Zhu, Chenhui; Wang, Lin-Wang; Chen, Junwu; Liu, Yi","para-Azaquinodimethane: A Compact Quinodimethane Variant as an Ambient Stable Building Block for High-Performance Low Band Gap Polymers.","Journal of the American Chemical Society","2017","139","24","8355","8363","10.1021/jacs.7b04031","","","0.7749","synchrotron","","0.0758","0.0525","","","0.1151","0.1251","","","","","","1.018","","","","has coordinates","200662","2020-10-21","18:00:00",""
"4126196","5.5076","0.0003","11.903","0.0007","14.5103","0.0008","86.927","0.003","81.604","0.003","76.84","0.003","916.14","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Br2 N2 O2 S4 -","- C38 H44 Br2 N2 O2 S4 -","- C38 H44 Br2 N2 O2 S4 -","1","0.5","","Liu, Xuncheng; He, Bo; Anderson, Christopher L.; Kang, Jun; Chen, Teresa; Chen, Jinxiang; Feng, Shizhen; Zhang, Lianjie; Kolaczkowski, Matthew A.; Teat, Simon J.; Brady, Michael A.; Zhu, Chenhui; Wang, Lin-Wang; Chen, Junwu; Liu, Yi","para-Azaquinodimethane: A Compact Quinodimethane Variant as an Ambient Stable Building Block for High-Performance Low Band Gap Polymers.","Journal of the American Chemical Society","2017","139","24","8355","8363","10.1021/jacs.7b04031","","","0.7749","synchrotron","","0.0518","0.0356","","","0.0789","0.0853","","","","","","1.042","","","","has coordinates,has disorder","200662","2020-10-21","18:00:00",""
"4126197","14.0349","0.0013","14.0349","0.0013","15.639","0.0015","90","","90","","120","","2667.8","0.4","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C18 H36 B2 Cu N6 O6 S6 -","- C18 H36 B2 Cu N6 O6 S6 -","- C54 H108 B6 Cu3 N18 O18 S18 -","3","0.166667","","Wong, Y. T. Angel; Landmann, Johannes; Finze, Maik; Bryce, David L.","Dynamic Disorder and Electronic Structures of Electron-Precise Dianionic Diboranes: Insights from Solid-State Multinuclear Magnetic Resonance Spectroscopy.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01783","","","0.71073","MoKα","","0.0916","0.0605","","","0.1189","0.133","","","","","","1.047","","","","has coordinates,has disorder","197623","2020-10-21","18:00:00",""
"4126198","24.246","0.005","13.201","0.003","20.956","0.004","90","","110.86","0.03","90","","6268","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Keinan-93 (Ofer)","","","- C47 H74 Cl N32 O21 -","- C47 H74 Cl N32 O21 -","- C188 H296 Cl4 N128 O84 -","4","1","","Reany, Ofer; Li, Amanda; Yefet, Maayan; Gilson, Michael K.; Keinan, Ehud","Attractive Interactions between Heteroallenes and the Cucurbituril Portal.","Journal of the American Chemical Society","2017","139","24","8138","8145","10.1021/jacs.6b13005","","","0.71073","MoKα","","0.2001","0.1029","","","0.2561","0.2868","","","","","","1.397","","","","has coordinates","199576","2020-10-21","18:00:00",""
"4126199","12.707","0.0003","13.39","0.0003","20.362","0.0004","90","","103.126","0.0014","90","","3374.01","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Keinan-92 (Ofer)","","","- C48 H86 Cl2 N32 O24 -","- C48 H86 Cl2 N32 O24 -","- C96 H172 Cl4 N64 O48 -","2","0.5","","Reany, Ofer; Li, Amanda; Yefet, Maayan; Gilson, Michael K.; Keinan, Ehud","Attractive Interactions between Heteroallenes and the Cucurbituril Portal.","Journal of the American Chemical Society","2017","139","24","8138","8145","10.1021/jacs.6b13005","","","0.71073","MoKα","","0.0879","0.063","","","0.1945","0.2092","","","","","","1.107","","","","has coordinates","199576","2020-10-21","18:00:00",""
"4126200","61.483","0.007","61.483","0.007","61.483","0.007","90","","90","","90","","232416","5","293","2","293","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C660 H570 Eu10 N90 O60 -","- C660 H570 Eu10 N90 O60 -","- C5280 H4560 Eu80 N720 O480 -","8","0.333333","","Li, Xiao-Zhen; Zhou, Li-Peng; Yan, Liang-Liang; Yuan, Da-Qiang; Lin, Chen-Sheng; Sun, Qing-Fu","Evolution of Luminescent Supramolecular Lanthanide M2nL3n Complexes from Helicates and Tetrahedra to Cubes.","Journal of the American Chemical Society","2017","139","24","8237","8244","10.1021/jacs.7b02764","","","1","Synchrotron","","0.1349","0.1308","","","0.3287","0.3421","","","","","","1.906","","","","has coordinates","200659","2020-10-21","18:00:00",""
"4126201","9.333","0.009","11.991","0.007","24.067","0.016","90","","90","","90","","2693","4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 Cl N O P Pd -","- C31 H35 Cl N O P Pd -","- C124 H140 Cl4 N4 O4 P4 Pd4 -","4","1","","Lim, Kelvin Meng-Hui; Hayashi, Tamio","Dynamic Kinetic Resolution in Rhodium-Catalyzed Asymmetric Arylation of Phospholene Oxides.","Journal of the American Chemical Society","2017","139","24","8122","8125","10.1021/jacs.7b04570","","","0.71073","MoKα","","0.0767","0.052","","","0.0999","0.1101","","","","","","1.027","","","","has coordinates","199575","2020-10-21","18:00:00",""
"4126202","13.9622","0.0007","13.9622","0.0007","11.1895","0.0011","90","","90","","120","","1889.1","0.2","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C16 H38 Cl3 N O7 Zn -","- C16 H38.0001 Cl3 N O7 Zn -","- C48 H114 Cl9 N3 O21 Zn3 -","3","0.333333","","Li, Wang; He, Chun-Ting; Zeng, Ying; Ji, Cheng-Min; Du, Zi-Yi; Zhang, Wei-Xiong; Chen, Xiao-Ming","Crystalline Supramolecular Gyroscope with a Water Molecule as an Ultrasmall Polar Rotator Modulated by Charge-Assisted Hydrogen Bonds.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02981","","","0.71073","MoKα","","0.0279","0.0274","","","0.0776","0.0781","","","","","","1.057","","","","has coordinates","197713","2020-10-21","18:00:00",""
"4126203","10.9602","0.0005","13.9583","0.0006","16.7483","0.0007","90","","104.56","0.005","90","","2480","0.2","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H38 Cl3 N O7 Zn -","- C16 H38 Cl3 N O7 Zn -","- C64 H152 Cl12 N4 O28 Zn4 -","4","1","","Li, Wang; He, Chun-Ting; Zeng, Ying; Ji, Cheng-Min; Du, Zi-Yi; Zhang, Wei-Xiong; Chen, Xiao-Ming","Crystalline Supramolecular Gyroscope with a Water Molecule as an Ultrasmall Polar Rotator Modulated by Charge-Assisted Hydrogen Bonds.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02981","","","0.71073","MoKα","","0.03","0.0267","","","0.0583","0.0601","","","","","","1.019","","","","has coordinates","197714","2020-10-21","18:00:00",""
"4126204","15.4052","0.0004","9.1917","0.0002","9.8522","0.0003","90","","104.873","0.002","90","","1348.33","0.06","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 F I N O -","- C13 H15 F I N O -","- C52 H60 F4 I4 N4 O4 -","4","1","","Rezazadeh, Sina; Devannah, Vijayarajan; Watson, Donald A.","Nickel-Catalyzed C-Alkylation of Nitroalkanes with Unactivated Alkyl Iodides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04312","","","1.54178","CuKα","","0.0596","0.0522","","","0.1543","0.16","","","","","","1.122","","","","has coordinates","197715","2020-10-21","18:00:00",""
"4126205","29.0905","0.001","5.2366","0.0002","18.6368","0.0007","90","","106.174","0.002","90","","2726.67","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 F N2 O3 -","- C14 H17 F N2 O3 -","- C112 H136 F8 N16 O24 -","8","2","","Rezazadeh, Sina; Devannah, Vijayarajan; Watson, Donald A.","Nickel-Catalyzed C-Alkylation of Nitroalkanes with Unactivated Alkyl Iodides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04312","","","1.54178","CuKα","","0.0754","0.0704","","","0.2013","0.2096","","","","","","1.031","","","","has coordinates","197716","2020-10-21","18:00:00",""
"4126206","19.4252","0.0006","19.4252","0.0006","12.1355","0.0004","90","","90","","120","","3965.7","0.2","93","","93","","","","","","","","","5","P 63","P 6c","173","","","","- C21 H22 Cl3 N3 O3 -","- C21 H22 Cl3 N3 O3 -","- C126 H132 Cl18 N18 O18 -","6","1","","Sun, Bo; Balaji, Pandur Venkatesan; Kumagai, Naoya; Shibasaki, Masakatsu","α-Halo Amides as Competent Latent Enolates: Direct Catalytic Asymmetric Mannich-Type Reaction.","Journal of the American Chemical Society","2017","139","24","8295","8301","10.1021/jacs.7b03291","","","1.54187","CuKα","","0.0495","0.045","","","0.1009","0.103","","","","","","1.007","","","","has coordinates","200663","2020-10-21","18:00:00",""
"4126207","19.4558","0.0004","19.4558","0.0004","11.4079","0.0002","90","","90","","120","","3739.68","0.13","93","","93","","","","","","","","","6","P 63","P 6c","173","","","","- C21 H23 Cl F N3 O3 -","- C21 H23 Cl F N3 O3 -","- C126 H138 Cl6 F6 N18 O18 -","6","1","","Sun, Bo; Balaji, Pandur Venkatesan; Kumagai, Naoya; Shibasaki, Masakatsu","α-Halo Amides as Competent Latent Enolates: Direct Catalytic Asymmetric Mannich-Type Reaction.","Journal of the American Chemical Society","2017","139","24","8295","8301","10.1021/jacs.7b03291","","","1.54187","CuKα","","0.0508","0.0486","","","0.1266","0.128","","","","","","1.063","","","","has coordinates","200663","2020-10-21","18:00:00",""
"4126208","9.6942","0.0003","10.5648","0.0003","20.0832","0.0006","90","","90","","90","","2056.87","0.11","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Cl2 N3 O3 -","- C21 H23 Cl2 N3 O3 -","- C84 H92 Cl8 N12 O12 -","4","1","","Sun, Bo; Balaji, Pandur Venkatesan; Kumagai, Naoya; Shibasaki, Masakatsu","α-Halo Amides as Competent Latent Enolates: Direct Catalytic Asymmetric Mannich-Type Reaction.","Journal of the American Chemical Society","2017","139","24","8295","8301","10.1021/jacs.7b03291","","","1.54187","CuKα","","0.076","0.0664","","","0.1133","0.116","","","","","","1.095","","","","has coordinates","200663","2020-10-21","18:00:00",""
"4126209","38.2768","0.0018","38.2768","0.0018","34.6107","0.0016","90","","90","","120","","43915","4","90","2","90","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C180 H566 Cu24 N84 O253 -","- C180 H204 Cu24 N84 O253 -","- C540 H612 Cu72 N252 O759 -","3","0.333333","","Mon, Marta; Ferrando-Soria, Jesús; Verdaguer, Michel; Train, Cyrille; Paillard, Charles; Dkhil, Brahim; Versace, Carlo; Bruno, Rosaria; Armentano, Donatella; Pardo, Emilio","Postsynthetic Approach for the Rational Design of Chiral Ferroelectric Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","24","8098","8101","10.1021/jacs.7b03633","","","0.71073","MoKα","","0.0763","0.0706","","","0.201","0.2095","","","","","","1.092","","","","has coordinates","200658","2020-10-21","18:00:00",""
"4126210","11.381","0.0009","63.671","0.005","13.728","0.0011","90","","92.567","0.003","90","","9937.9","1.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Dy Fe3 Li3 O6 -","- C54 H72 Dy Fe3 Li3 O6 -","- C432 H576 Dy8 Fe24 Li24 O48 -","8","2","","Latendresse, Trevor Philip; Bhuvanesh, Nattamai S.; Nippe, Michael","Slow Magnetic Relaxation in a Lanthanide-[1]Metallocenophane Complex.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01499","","x-ray","0.71073","MoKα","","0.0707","0.0589","","","0.0954","0.0979","","","","","","1.334","","","","has coordinates,has disorder","197740","2020-10-21","18:00:00",""
"4126211","11.375","0.01","7.357","0.006","11.576","0.009","90","","116.91","0.04","90","","863.9","1.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H13 Br Cl F3 O2 -","- C18 H13 Br Cl F3 O2 -","- C36 H26 Br2 Cl2 F6 O4 -","2","1","","Holmes, Michael; Nguyen, Khoa D.; Schwartz, Leyah A.; Luong, Tom; Krische, Michael J.","Enantioselective Formation of CF3-Bearing All-Carbon Quaternary Stereocenters via C‒H Functionalization of Methanol: Iridium Catalyzed Allene Hydrohydroxymethylation","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04374","","","0.71073","MoKα","","0.1164","0.0602","","","0.1358","0.156","","","","","","0.981","","","","has coordinates","197741","2020-10-21","18:00:00",""
"4126212","24.3868","0.0011","13.2612","0.0006","24.971","0.001","90","","90.327","0.002","90","","8075.4","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","EcoMOF-1","","","- C76 H127 Ca14 O76 -","- C76 H127 Ca14 O76 -","- C152 H254 Ca28 O152 -","2","1","","Yang, Jingjing; Trickett, Christopher A.; Alahmadi, Salman B.; Alshammari, Ahmad S.; Yaghi, Omar M.","Calcium l-Lactate Frameworks as Naturally Degradable Carriers for Pesticides.","Journal of the American Chemical Society","2017","139","24","8118","8121","10.1021/jacs.7b04542","","","0.7749","synchrotron","","0.0755","0.0621","","","0.1685","0.1772","","","","","","1.076","","","","has coordinates,has disorder","200660","2020-10-21","18:00:00",""
"4126213","8.78","0.006","9.429","0.004","14.132","0.007","104.7","0.1","92.47","0.02","109.332","0.012","1057.4","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Marek116 (Fa-Guang)","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C48 H54 N2 O8 -","2","1","","Zhang, Fa-Guang; Marek, Ilan","Brook Rearrangement as Trigger for Carbene Generation: Synthesis of Stereodefined and Fully Substituted Cyclobutenes.","Journal of the American Chemical Society","2017","139","24","8364","8370","10.1021/jacs.7b04255","","","0.71073","MoKα","","0.0969","0.0853","","","0.1692","0.1743","","","","","","1.188","","","","has coordinates","200661","2020-10-21","18:00:00",""
"4126214","13.4591","0.0011","24.504","0.004","19.268","0.003","90","","98.583","0.008","90","","6283.5","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C130 H158 Co2 N18 Na4 O20 -","- C130 H158 Co2 N18 Na4 O20 -","- C260 H316 Co4 N36 Na8 O40 -","2","0.5","","Andrez, Julie; Guidal, Valentin; Scopelliti, Rosario; Pécaut, Jacques; Gambarelli, Serge; Mazzanti, Marinella","Ligand and Metal Based Multielectron Redox Chemistry of Cobalt Supported by Tetradentate Schiff Bases.","Journal of the American Chemical Society","2017","139","25","8628","8638","10.1021/jacs.7b03604","","","0.71073","MoKα","","0.1876","0.0983","","","0.1847","0.2343","","","","","","1.07","","","","has coordinates","199579","2020-10-21","18:00:00",""
"4126215","22.0036","0.0013","14.5281","0.0006","28.4397","0.0014","90","","94.568","0.005","90","","9062.5","0.8","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H124 Co2 N8 Na4 O26 -","- C90 H124 Co2 N8 Na4 O26 -","- C360 H496 Co8 N32 Na16 O104 -","4","1","","Andrez, Julie; Guidal, Valentin; Scopelliti, Rosario; Pécaut, Jacques; Gambarelli, Serge; Mazzanti, Marinella","Ligand and Metal Based Multielectron Redox Chemistry of Cobalt Supported by Tetradentate Schiff Bases.","Journal of the American Chemical Society","2017","139","25","8628","8638","10.1021/jacs.7b03604","","x-ray","0.71073","MoKα","","0.2553","0.0972","","","0.1908","0.2549","","","","","","1.021","","","","has coordinates","199579","2020-10-21","18:00:00",""
"4126216","13.0057","0.0003","15.1594","0.0003","12.1103","0.0002","90","","99.971","0.002","90","","2351.59","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Co K N2 O5 -","- C26 H26 Co K N2 O5 -","- C104 H104 Co4 K4 N8 O20 -","4","1","","Andrez, Julie; Guidal, Valentin; Scopelliti, Rosario; Pécaut, Jacques; Gambarelli, Serge; Mazzanti, Marinella","Ligand and Metal Based Multielectron Redox Chemistry of Cobalt Supported by Tetradentate Schiff Bases.","Journal of the American Chemical Society","2017","139","25","8628","8638","10.1021/jacs.7b03604","","","0.71073","MoKα","","0.0548","0.0373","","","0.0796","0.0875","","","","","","1.031","","","","has coordinates,has disorder","199579","2020-10-21","18:00:00",""
"4126217","18.65","0.002","15.4996","0.0018","7.5174","0.0009","90","","93.098","0.011","90","","2169.9","0.4","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H22 Co K N2 O3 -","- C24 H22 Co K N2 O3 -","- C96 H88 Co4 K4 N8 O12 -","4","1","","Andrez, Julie; Guidal, Valentin; Scopelliti, Rosario; Pécaut, Jacques; Gambarelli, Serge; Mazzanti, Marinella","Ligand and Metal Based Multielectron Redox Chemistry of Cobalt Supported by Tetradentate Schiff Bases.","Journal of the American Chemical Society","2017","139","25","8628","8638","10.1021/jacs.7b03604","","","0.71073","MoKα","","0.1016","0.0802","","","0.2113","0.2272","","","","","","1.087","","","","has coordinates,has disorder","199579","2020-10-21","18:00:00",""
"4126218","12.5032","0.0007","16.797","0.001","17.5538","0.001","78.622","0.003","82.793","0.003","69.513","0.003","3379.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H74 N2 O11 -","- C74 H74 N2 O11 -","- C148 H148 N4 O22 -","2","1","","Wang, Li-Li; Chen, Zhao; Liu, Wei-Er; Ke, Hua; Wang, Sheng-Hua; Jiang, Wei","Molecular Recognition and Chirality Sensing of Epoxides in Water Using Endo-Functionalized Molecular Tubes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05021","","","1.54178","CuKα","","0.1596","0.1223","","","0.3754","0.4025","","","","","","1.449","","","","has coordinates,has disorder","197853","2020-10-21","18:00:00",""
"4126219","15.6209","0.0009","15.3949","0.0009","16.1527","0.0009","90","","91.0621","0.0014","90","","3883.8","0.4","297","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","Americium hexachloride","","","- C72 H59.19 Am Cl6 N0 P3 -","- C72 H59.16 Am Cl6 P3 -","- C144 H118.32 Am2 Cl12 P6 -","2","1","","Cross, Justin N.; Su, Jing; Batista, Enrique R.; Cary, Samantha K.; Evans, William J.; Kozimor, Stosh A.; Mocko, Veronika; Scott, Brian L.; Stein, Benjamin W.; Windorff, Cory J.; Yang, Ping","Covalency in Americium(III) Hexachloride.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b03755","","","0.71073","MoKα","","0.0643","0.0473","","","0.1193","0.1297","","","","","","0.826","","","","has coordinates","197854","2020-10-21","18:00:00",""
"4126220","16.4745","0.0013","10.3337","0.0008","18.463","0.002","90","","112.448","0.005","90","","2905","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H29 Cl F3 N2 O1.5 -","- C29 H29 Cl F3 N2 O1.5 -","- C116 H116 Cl4 F12 N8 O6 -","4","1","","Wang, Haoxuan; Yang, Jeffrey Chih-Yeh; Buchwald, Stephen L.","CuH-Catalyzed Regioselective Intramolecular Hydroamination for the Synthesis of Alkyl-Substituted Chiral Aziridines.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04816","","","1.54178","CuKα","","0.0613","0.047","","","0.1278","0.1398","","","","","","1.089","","","","has coordinates,has disorder","197855","2020-10-21","18:00:00",""
"4126221","9.9381","0.001","6.3564","0.0006","15.9611","0.0016","90","","104.214","0.005","90","","977.4","0.17","190","","190.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2,4-bis(dimethoxymethyl)cyclobutane-1,3-diyl)dibenzene","","- C22 H28 O4 -","- C22 H28 O4 -","- C44 H56 O8 -","2","0.5","","Oburn, Shalisa M.; Swenson, Dale C.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Supramolecular Construction of an Aldehyde-Cyclobutane via the Solid State: Combining Reversible Imine Formation and Metal-Organic Self-Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04420","","","0.71073","MoKα","","0.0455","0.0384","","","0.0994","0.1056","","","","","","1.086","","","","has coordinates","197856","2020-10-21","18:00:00",""
"4126222","6.7813","0.0019","7.436","0.002","22.969","0.006","90","","94.241","0.005","90","","1155.1","0.5","298","","298.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","cinnamaldehyde N-(4-pyridyl)imine","","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","1","","Oburn, Shalisa M.; Swenson, Dale C.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Supramolecular Construction of an Aldehyde-Cyclobutane via the Solid State: Combining Reversible Imine Formation and Metal-Organic Self-Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04420","","","0.71073","MoKα","","0.0615","0.041","","","0.0984","0.1087","","","","","","1.041","","","","has coordinates","197856","2020-10-21","18:00:00",""
"4126223","6.9846","0.0013","12.927","0.003","17.932","0.004","90","","100.07","0.005","90","","1594.1","0.6","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Ag F3 N2 O2 -","- C16 H12 Ag F3 N2 O2 -","- C64 H48 Ag4 F12 N8 O8 -","4","1","","Oburn, Shalisa M.; Swenson, Dale C.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Supramolecular Construction of an Aldehyde-Cyclobutane via the Solid State: Combining Reversible Imine Formation and Metal-Organic Self-Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04420","","","0.71073","MoKα","","0.1292","0.0533","","","0.0968","0.1209","","","","","","1.008","","","","has coordinates","197856","2020-10-21","18:00:00",""
"4126224","14.5045","0.0008","32.977","0.002","20.6961","0.0011","90","","90","","90","","9899.3","1","150","1","150","1","","","","","","","","7","P c a 21","P 2c -2ac","29","mke005","","","- C44 H51 Cu2 F6 N8 O8.5 S2 -","- C44 H51 Cu2 F6 N8 O8.5 S2 -","- C352 H408 Cu16 F48 N64 O68 S16 -","8","2","","Koepke, Sara J.; Light, Kenneth M.; VanNatta, Peter E.; Wiley, Keaton M.; Kieber-Emmons, Matthew T","Electrocatalytic Water Oxidation by a Homogeneous Copper Catalyst Disfavors Single-Site Mechanisms.","Journal of the American Chemical Society","2017","139","25","8586","8600","10.1021/jacs.7b03278","","","0.71073","MoKα","","0.0482","0.0377","","","0.0912","0.0959","","","","","","1.039","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4126225","10.6716","0.00019","11.1383","0.0002","34.5954","0.0006","90","","90","","90","","4112.13","0.13","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C160 H216 N8 O48 -","8","2","","Bartlett, Samuel L.; Sohtome, Yoshihiro; Hashizume, Daisuke; White, Peter S.; Sawamura, Miki; Johnson, Jeffrey S.; Sodeoka, Mikiko","Catalytic Enantioselective [3 + 2] Cycloaddition of α-Keto Ester Enolates and Nitrile Oxides.","Journal of the American Chemical Society","2017","139","25","8661","8666","10.1021/jacs.7b03782","","","1.54184","CuKα","","0.0351","0.0338","","","0.0725","0.073","","","","","","1.087","","","","has coordinates","200670","2020-10-21","18:00:00",""
"4126226","7.705","0.005","17.658","0.014","6.947","0.005","90","","90.03","0.03","90","","945.2","1.2","238","2","238","2","","","","","","","","5","C 2/m 1 1","-C 2x","12","","","","- C4 H8 Br3 Cd N -","- C4 H8 Br3 Cd N -","- C16 H32 Br12 Cd4 N4 -","4","0.5","","Li, Peng-Fei; Liao, Wei-Qiang; Tang, Yuan-Yuan; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Unprecedented Ferroelectric-Antiferroelectric-Paraelectric Phase Transitions Discovered in an Organic-Inorganic Hybrid Perovskite.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04693","","","0.71073","MoKα","","0.0336","0.0287","","","0.069","0.0705","","","","","","1.098","","","","has coordinates","197859","2020-10-21","18:00:00",""
"4126227","10.3814","0.0004","8.5313","0.0003","30.7969","0.0011","90","","99.6603","0.0005","90","","2688.91","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 B O Si -","- C26 H47 B O Si -","- C104 H188 B4 O4 Si4 -","4","1","","Sanzone, Jillian R.; Hu, Chunhua T.; Woerpel, K. A.","Uncatalyzed Carboboration of Seven-Membered-Ring trans-Alkenes: Formation of Air-Stable Trialkylboranes.","Journal of the American Chemical Society","2017","139","25","8404","8407","10.1021/jacs.7b03986","","","0.71073","MoKα","","0.0508","0.0434","","","0.123","0.1292","","","","","","1.067","","","","has coordinates,has disorder","200668","2020-10-21","18:00:00",""
"4126228","9.1353","0.0011","14.1491","0.0017","11.2404","0.0013","90","","108.677","0.002","90","","1376.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H49 B O Si -","- C28 H49 B O Si -","- C56 H98 B2 O2 Si2 -","2","1","","Sanzone, Jillian R.; Hu, Chunhua T.; Woerpel, K. A.","Uncatalyzed Carboboration of Seven-Membered-Ring trans-Alkenes: Formation of Air-Stable Trialkylboranes.","Journal of the American Chemical Society","2017","139","25","8404","8407","10.1021/jacs.7b03986","","","0.71073","MoKα","","0.0553","0.0454","","","0.0981","0.1019","","","","","","1.009","","","","has coordinates","200668","2020-10-21","18:00:00",""
"4126229","19.0517","0.0007","13.3595","0.0004","15.4892","0.0006","90","","90","","90","","3942.3","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H20 Cl N O3 Xe -","- C8 H20 Cl N O3 Xe -","- C96 H240 Cl12 N12 O36 Xe12 -","12","3","","Goettel, James T.; Haensch, Veit; Schrobilgen, Gary J.","Stable Chloro- and Bromoxenate Cage Anions; [X3(XeO3)3](3-) and [X4(XeO3)4](4-) (X = Cl or Br).","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04067","","","0.71073","MoKα","","0.0706","0.0454","","","0.0885","0.0979","","","","","","1.051","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4126230","9.3724","0.0006","11.6016","0.0007","18.1066","0.0011","90","","100.109","0.001","90","","1938.3","0.2","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Br N O3 Xe -","- C4 H12 Br N O3 Xe -","- C32 H96 Br8 N8 O24 Xe8 -","8","2","","Goettel, James T.; Haensch, Veit; Schrobilgen, Gary J.","Stable Chloro- and Bromoxenate Cage Anions; [X3(XeO3)3](3-) and [X4(XeO3)4](4-) (X = Cl or Br).","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04067","","","0.71073","MoKα","","0.0376","0.0254","","","0.0526","0.0553","","","","","","0.987","","","","has coordinates","270822","2021-11-23","08:36:15",""
"4126231","9.2809","0.001","24.198","0.003","11.1739","0.0007","90","","104.854","0.004","90","","2425.6","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H31 N O13 -","- C20 H31 N O13 -","- C80 H124 N4 O52 -","4","2","","Cecioni, Samy; Vocadlo, David J.","Carbohydrate Bis-acetal-Based Substrates as Tunable Fluorescence-Quenched Probes for Monitoring exo-Glycosidase Activity.","Journal of the American Chemical Society","2017","139","25","8392","8395","10.1021/jacs.7b01948","","","1.54178","CuKα","","0.03","0.0287","","","0.0726","0.0736","","","","","","1.034","","","","has coordinates","200667","2020-10-21","18:00:00",""
"4126232","9.1328","0.0005","22.1807","0.0012","26.2782","0.0014","90","","90","","90","","5323.2","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Br N O12 -","- C20 H30 Br N O12 -","- C160 H240 Br8 N8 O96 -","8","2","","Cecioni, Samy; Vocadlo, David J.","Carbohydrate Bis-acetal-Based Substrates as Tunable Fluorescence-Quenched Probes for Monitoring exo-Glycosidase Activity.","Journal of the American Chemical Society","2017","139","25","8392","8395","10.1021/jacs.7b01948","","","1.54178","CuKα","","0.0855","0.08","","","0.2241","0.2309","","","","","","1.147","","","","has coordinates,has disorder","200667","2020-10-21","18:00:00",""
"4126233","19.261","0.002","25.28","0.003","32.387","0.004","90","","104.025","0.002","90","","15300","3","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","(R)-BINSA-trimer potasium magnesium salt","","","- C120 H108 K3.5 Mg1.5 O21.5 S6 -","- C120 H108 K3.5 Mg1.5 O21.5 S6 -","- C480 H432 K14 Mg6 O86 S24 -","4","1","","Hatano, Manabu; Nishikawa, Keisuke; Ishihara, Kazuaki","Enantioselective Cycloaddition of Styrenes with Aldimines Catalyzed by a Chiral Magnesium Potassium Binaphthyldisulfonate Cluster as a Chiral Brønsted Acid Catalyst.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04795","","","0.71075","MoKα","","0.1513","0.1095","","","0.2703","0.2849","","","","","","1.637","","","","has coordinates","198013","2020-10-21","18:00:00",""
"4126234","19.657","0.003","7.8904","0.0013","20.662","0.003","90","","100.247","0.003","90","","3153.6","0.8","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","(4S,5R,6R)-4-(2-iodophenyl)-5-methyl-6-phenyl-1,3-oxazinan-2-one","","","- C17 H16 I N O2 -","- C17 H16 I N O2 -","- C136 H128 I8 N8 O16 -","8","2","","Hatano, Manabu; Nishikawa, Keisuke; Ishihara, Kazuaki","Enantioselective Cycloaddition of Styrenes with Aldimines Catalyzed by a Chiral Magnesium Potassium Binaphthyldisulfonate Cluster as a Chiral Brønsted Acid Catalyst.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04795","","","0.71075","MoKα","","0.0422","0.0414","","","0.1069","0.1072","","","","","","1.251","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4126235","15.238","0.006","3.9998","0.0007","18.359","0.006","90","","106.14","0.03","90","","1074.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 N O S -","- C14 H9 N O S -","- C56 H36 N4 O4 S4 -","4","1","","Nitti, Andrea; Bianchi, Gabriele; Po, Riccardo; Swager, Timothy M.; Pasini, Dario","Domino Direct Arylation and Cross-Aldol for Rapid Construction of Extended Polycyclic π-Scaffolds.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b03412","","","0.7107","MoKα","","0.1537","0.0959","","","0.1684","0.2072","","","","","","1.173","","","","has coordinates","198046","2020-10-21","18:00:00",""
"4126236","15.6525","0.0017","20.125","0.003","21.372","0.002","89.65","0.017","69.675","0.016","89.297","0.018","6312.7","1.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H150 Cl9 N8 Ni2 O -","- C134 H150 Cl9 N8 Ni2 O -","- C268 H300 Cl18 N16 Ni4 O2 -","2","1","","Fukui, Norihito; Kim, Taeyeon; Kim, Dongho; Osuka, Atsuhiro","Porphyrin Arch-Tapes: Synthesis, Contorted Structures, and Full Conjugation.","Journal of the American Chemical Society","2017","139","26","9075","9088","10.1021/jacs.7b05332","","","1.54187","CuKα","","0.072","0.06","","","0.169","0.1776","","","","","","1.073","","","","has coordinates,has disorder","199578","2020-10-21","18:00:00",""
"4126237","8.007","0.002","12.905","0.003","7.3562","0.0018","90","","113.188","0.004","90","","698.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-CF2H","","","- C7 H5 F2 N O2 -","- C7 H5 F2 N O2 -","- C28 H20 F8 N4 O8 -","4","1","","Sessler, Chanan D.; Rahm, Martin; Becker, Sabine; Goldberg, Jacob M.; Wang, Fang; Lippard, Stephen J.","CF2H, a Hydrogen Bond Donor.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04457","","","0.71073","MoKα","","0.0541","0.0407","","","0.1197","0.1279","","","","","","1.089","","","","has coordinates","198170","2020-10-21","18:00:00",""
"4126238","6.3511","0.0006","14.3305","0.0014","6.6757","0.0006","90","","103.348","0.002","90","","591.17","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-OH","","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Sessler, Chanan D.; Rahm, Martin; Becker, Sabine; Goldberg, Jacob M.; Wang, Fang; Lippard, Stephen J.","CF2H, a Hydrogen Bond Donor.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04457","","","0.71073","MoKα","","0.0445","0.0363","","","0.0981","0.1045","","","","","","1.078","","","","has coordinates","198170","2020-10-21","18:00:00",""
"4126239","7.962","0.002","7.097","0.002","6.1966","0.0018","90","","92.557","0.004","90","","349.8","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-CF2H","","","- C7 H5 Br F2 -","- C7 H5 Br F2 -","- C14 H10 Br2 F4 -","2","0.5","","Sessler, Chanan D.; Rahm, Martin; Becker, Sabine; Goldberg, Jacob M.; Wang, Fang; Lippard, Stephen J.","CF2H, a Hydrogen Bond Donor.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04457","","","0.71073","MoKα","","0.0824","0.0578","","","0.1367","0.1549","","","","","","1.125","","","","has coordinates,has disorder","198170","2020-10-21","18:00:00",""
"4126240","14.4147","0.0011","10.679","0.0008","7.5441","0.0006","90","","103.714","0.001","90","","1128.19","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-CF2H","","","- C14 H12 F2 O -","- C14 H12 F2 O -","- C56 H48 F8 O4 -","4","1","","Sessler, Chanan D.; Rahm, Martin; Becker, Sabine; Goldberg, Jacob M.; Wang, Fang; Lippard, Stephen J.","CF2H, a Hydrogen Bond Donor.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04457","","","0.71073","MoKα","","0.0433","0.0385","","","0.1015","0.1064","","","","","","1.037","","","","has coordinates","198170","2020-10-21","18:00:00",""
"4126241","25.126","0.004","18.28","0.003","15.476","0.003","90","","118.422","0.004","90","","6251.4","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H42.5 Br0.5 Cl0.5 Mo N4.5 -","- C32 H42.5 Br0.5 Cl0.5 Mo N4.5 -","- C256 H340 Br4 Cl4 Mo8 N36 -","8","1","","Wickramasinghe, Lasantha A.; Schrock, Richard R.; Müller, Peter; Ogawa, Takaya","Reduction of Dinitrogen to Ammonia Catalyzed by Molybdenum Diamido Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04800","","","0.71073","MoKα","","0.0881","0.0495","","","0.1121","0.1296","","","","","","1.021","","","","has coordinates,has disorder","198171","2020-10-21","18:00:00",""
"4126242","17.0362","0.0015","19.2201","0.0017","23.935","0.002","96.1815","0.0015","99.3959","0.0015","90.7841","0.0015","7683.2","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H46 F5 Mo N4 O1.5 -","- C39 H46 F5 Mo N4 O1.5 -","- C312 H368 F40 Mo8 N32 O12 -","8","4","","Wickramasinghe, Lasantha A.; Schrock, Richard R.; Müller, Peter; Ogawa, Takaya","Reduction of Dinitrogen to Ammonia Catalyzed by Molybdenum Diamido Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04800","","","0.71073","MoKα","","0.0964","0.0509","","","0.1109","0.1321","","","","","","1.02","","","","has coordinates,has disorder","198171","2020-10-21","18:00:00",""
"4126243","13.327","0.002","13.939","0.002","15.701","0.002","88.041","0.002","76.238","0.002","61.528","0.002","2479.6","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H50 B F15 Mo N4 O -","- C53 H50 B F15 Mo N4 O -","- C106 H100 B2 F30 Mo2 N8 O2 -","2","1","","Wickramasinghe, Lasantha A.; Schrock, Richard R.; Müller, Peter; Ogawa, Takaya","Reduction of Dinitrogen to Ammonia Catalyzed by Molybdenum Diamido Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04800","","","0.71073","MoKα","","0.0522","0.0388","","","0.0834","0.0893","","","","","","1.043","","","","has coordinates,has disorder","198171","2020-10-21","18:00:00",""
"4126244","9.243848","0.000019","9.243848","0.000019","9.243848","0.000019","90","","90","","90","","789.875","0.003","300","","300","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","sodium magnesium nitrodophosphate","","","- Mg2 N Na2 O9 P3 -","- Mg2 N Na2 O9 P3 -","- Mg8 N4 Na8 O36 P12 -","4","0.333333","","Liu, Jue; Whitfield, Pamela S.; Saccomanno, Michael R.; Bo, Shou-Hang; Hu, Enyuan; Yu, Xiqian; Bai, Jianming; Grey, Clare P.; Yang, Xiao-Qing; Khalifah, Peter G.","In Situ Neutron Diffraction Studies of the Ion Exchange Synthesis Mechanism of Li2Mg2P3O9N: Evidence for a Hidden Phase Transition.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02323","powder diffraction","","0.77878","synchrotron","","","","","","","","","","","","","","","","","has coordinates","198205","2020-10-21","18:00:00",""
"4126245","5.55621","0.0001","26.2064","0.0005","8.18405","0.00015","90","","92.4361","0.0008","90","","1190.59","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H15 F2 N O -","- C13 H15 F2 N O -","- C52 H60 F8 N4 O4 -","4","2","","Banik, Steven M.; Mennie, Katrina; Jacobsen, Eric N.","Catalytic 1,3-Difunctionalization via Oxidative C-C Bond Activation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05160","","","1.54178","CuKα","","0.0334","0.0328","","","0.0951","0.0961","","","","","","1.071","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4126246","11.5773","0.0011","19.2314","0.0019","23.096","0.002","76.137","0.002","85.509","0.002","89.792","0.002","4976.5","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[iPr2NNF6]Cu-OtBu","","- C33 H44 Cu F6 N2 O -","- C33 H44 Cu F6 N2 O -","- C198 H264 Cu6 F36 N12 O6 -","6","3","","Kundu, Subrata; Greene, Christine; Williams, Kamille D.; Salvador, Tolani K.; Bertke, Jeffery A.; Cundari, Thomas R.; Warren, Timothy H.","Three-Coordinate Copper(II) Aryls: Key Intermediates in C-O Bond Formation.","Journal of the American Chemical Society","2017","139","27","9112","9115","10.1021/jacs.7b04046","","","0.71073","MoKα","","0.0817","0.0637","","","0.1577","0.1685","","","","","","1.065","","","","has coordinates,has disorder","200666","2020-10-21","18:00:00",""
"4126247","8.1196","0.0009","11.6482","0.0013","14.8107","0.0017","77.997","0.002","86.159","0.002","75.192","0.002","1324.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[Me2NNF6]CuONC6F5","","- C27 H19 Cu F11 N3 O -","- C27 H19 Cu F11 N3 O -","- C54 H38 Cu2 F22 N6 O2 -","2","1","","Kundu, Subrata; Greene, Christine; Williams, Kamille D.; Salvador, Tolani K.; Bertke, Jeffery A.; Cundari, Thomas R.; Warren, Timothy H.","Three-Coordinate Copper(II) Aryls: Key Intermediates in C-O Bond Formation.","Journal of the American Chemical Society","2017","139","27","9112","9115","10.1021/jacs.7b04046","","","0.71073","MoKα","","0.0459","0.0363","","","0.0905","0.0942","","","","","","1.044","","","","has coordinates","200666","2020-10-21","18:00:00",""
"4126248","11.6396","0.0006","25.554","0.0015","12.6371","0.0008","90","","115.688","0.003","90","","3387.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{[Me2NNF6]Cu-C6F5}{CoCp2}","","- C37 H29 Co Cu F11 N2 -","- C37 H29 Co Cu F11 N2 -","- C148 H116 Co4 Cu4 F44 N8 -","4","1","","Kundu, Subrata; Greene, Christine; Williams, Kamille D.; Salvador, Tolani K.; Bertke, Jeffery A.; Cundari, Thomas R.; Warren, Timothy H.","Three-Coordinate Copper(II) Aryls: Key Intermediates in C-O Bond Formation.","Journal of the American Chemical Society","2017","139","27","9112","9115","10.1021/jacs.7b04046","","","0.71073","MoKα","","0.0569","0.0349","","","0.068","0.0743","","","","","","1.033","","","","has coordinates","200666","2020-10-21","18:00:00",""
"4126249","6.4316","0.0005","8.2971","0.0006","11.1074","0.0008","90","","92.841","0.002","90","","592","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","- C22 H24 N4 O10 -","2","1","","Jiang, Huiling; Lang, Kai; Lu, Hongjian; Wojtas, Lukasz; Zhang, X. Peter","Asymmetric Radical Bicyclization of Allyl Azidoformates via Cobalt(II)-Based Metalloradical Catalysis.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05778","","","1.54178","CuKα","","0.0257","0.0256","","","0.0706","0.0707","","","","","","1.025","","","","has coordinates","198260","2020-10-21","18:00:00",""
"4126250","20.6802","0.0014","23.9248","0.0017","36.653","0.003","91.789","0.002","98.467","0.002","108.197","0.002","16982","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C347.14 H359.61 Cl5.52 F16 N48 O48 -","- C347.132 H358.61 Cl5.522 F16 N48 O48 -","- C694.264 H717.22 Cl11.044 F32 N96 O96 -","2","1","","Wang, Xiang; Wicher, Barbara; Ferrand, Yann; Huc, Ivan","Orchestrating Directional Molecular Motions: Kinetically Controlled Supramolecular Pathways of a Helical Host on Rodlike Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04884","","","1.54178","CuKα","","0.1915","0.1293","","","0.3554","0.3913","","","","","","1.296","","","","has coordinates,has disorder","198261","2020-10-21","18:00:00",""
"4126251","22.2888","0.0016","22.954","0.0016","33.748","0.002","81.019","0.002","80.632","0.002","73.048","0.002","16187.2","1.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C317.87 H331.92 Cl13.53 F16 N48 O46.97 -","- C317.862 H329.998 Cl13.53 F16 N48 O46.964 -","- C635.724 H659.996 Cl27.06 F32 N96 O93.928 -","2","1","","Wang, Xiang; Wicher, Barbara; Ferrand, Yann; Huc, Ivan","Orchestrating Directional Molecular Motions: Kinetically Controlled Supramolecular Pathways of a Helical Host on Rodlike Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04884","","","1.54178","CuKα","","0.1868","0.145","","","0.3694","0.3848","","","","","","2.206","","","","has coordinates,has disorder","198262","2020-10-21","18:00:00",""
"4126252","36.365","0.007","49.686","0.01","46.097","0.009","90","","105.91","0.03","90","","80099","3","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C613 H632.66 Cl36 F32 N96 O96.33 -","- C594.004 H535.504 Cl36.012 F32 N96 O96.3355 -","- C2376.02 H2142.02 Cl144.048 F128 N384 O385.342 -","4","2","","Wang, Xiang; Wicher, Barbara; Ferrand, Yann; Huc, Ivan","Orchestrating Directional Molecular Motions: Kinetically Controlled Supramolecular Pathways of a Helical Host on Rodlike Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04884","","","0.85","synchrotron","","0.2018","0.1607","","","0.392","0.4326","","","","","","1.605","","","","has coordinates,has disorder","198263","2020-10-21","18:00:00",""
"4126253","18.0453","0.0008","18.18","0.0008","32.5984","0.0014","90","","95.864","0.003","90","","10638.4","0.8","240","2","240","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60.73 H47.05 Dy4 N9.58 O24 -","- C60.74 H47.0396 Dy4 N9.58 O24 -","- C242.96 H188.158 Dy16 N38.32 O96 -","4","1","","Luo, Tian-Yi; Liu, Chong; Eliseeva, Svetlana V.; Muldoon, Patrick Flynn; Petoud, Stephane; Rosi, Nathaniel L.","Rare Earth pcu MOF Platform Based on RE4(μ3-OH)4(COO)62+ Clusters: Rational Design, Directed Synthesis, and Deliberate Tuning of Excitation Wavelengths.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04532","","x-ray","1.54178","CuKα","","0.1303","0.1099","","","0.2814","0.2939","","","","","","1.144","","","","has coordinates,has disorder","198284","2020-10-21","18:00:00",""
"4126254","23.6058","0.0007","22.2824","0.0007","37.1223","0.001","90","","90.222","0.002","90","","19526","1","240","","240","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C81.68 H53.92 N8.56 O24 Yb4 -","- C81.68 H53.92 N8.56 O24 Yb4 -","- C326.72 H215.68 N34.24 O96 Yb16 -","4","1","","Luo, Tian-Yi; Liu, Chong; Eliseeva, Svetlana V.; Muldoon, Patrick Flynn; Petoud, Stephane; Rosi, Nathaniel L.","Rare Earth pcu MOF Platform Based on RE4(μ3-OH)4(COO)62+ Clusters: Rational Design, Directed Synthesis, and Deliberate Tuning of Excitation Wavelengths.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04532","","x-ray","1.54178","CuKα","","0.228","0.1394","","","0.3169","0.3604","","","","","","1.112","","","","has coordinates,has disorder","198285","2020-10-21","18:00:00",""
"4126255","27.86","0.003","27.86","0.003","27.86","0.003","90","","90","","90","","21624","4","240","","240.01","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C48 H12 Gd8 N6 O49 -","- C48 H12 Gd8 N6 O48.9992 -","- C192 H48 Gd32 N24 O195.997 -","4","0.0208333","","Luo, Tian-Yi; Liu, Chong; Eliseeva, Svetlana V.; Muldoon, Patrick Flynn; Petoud, Stephane; Rosi, Nathaniel L.","Rare Earth pcu MOF Platform Based on RE4(μ3-OH)4(COO)62+ Clusters: Rational Design, Directed Synthesis, and Deliberate Tuning of Excitation Wavelengths.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04532","","x-ray","1.54178","CuKα","","0.085","0.0668","","","0.2306","0.255","","","","","","1.164","","","","has coordinates","198286","2020-10-21","18:00:00",""
"4126256","11.312","0.006","10.407","0.005","22.323","0.011","90","","91.837","0.009","90","","2627","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 F12 Fe N8 P2 -","- C19 H27 F12 Fe N8 P2 -","- C76 H108 F48 Fe4 N32 P8 -","4","1","","Sabenya, Gerard; Lazaro, Laura; Gamba, Ilaria; Martin-Diaconescu, Vlad; Andris, Erik; Weyhermüller, Thomas; Neese, Frank; Roithova, Jana; Bill, Eckhard; Lloret-Fillol, Julio; Costas, Miquel","Generation, spectroscopic and chemical characterization of an octahedral iron (V) - nitrido species with a neutral ligand platform.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00429","","","0.71073","MoKα","","0.1589","0.0692","","","0.1558","0.1961","","","","","","0.949","","","","has coordinates","198287","2020-10-21","18:00:00",""
"4126257","16.654","0.005","16.654","0.005","19.604","0.011","90","","90","","90","","5437","4","298","2","298","2","","","","","","","","6","I 4/m","-I 4","87","Zn2(PdTCPP)","","","- C48 H28 N4 O10 Pd Zn2 -","- C48 H28 N4 O10 Pd Zn2 -","- C96 H56 N8 O20 Pd2 Zn4 -","2","0.125","","Ding, Yanjun; Chen, Ying-Pin; Zhang, Xinlei; Chen, Liang; Dong, Zhaohui; Jiang, Hai-Long; Xu, Hangxun; Zhou, Hong-Cai","Controlled Intercalation and Chemical Exfoliation of Layered Metal-Organic Frameworks Using a Chemically Labile Intercalating Agent.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04829","","","0.71073","MoKα","","0.0773","0.0488","","","0.1127","0.1174","","","","","","1.028","","","","has coordinates","198318","2020-10-21","18:00:00",""
"4126258","16.677","0.004","16.673","0.004","45.237","0.011","90","","90","","90","","12578","5","273","2","273","2","","","","","","","","6","A m m m","-A 2 2","65","","","","- C48 H24 N6 O8 Pd Zn2 -","- C48 H24 N6 O8 Pd Zn2 -","- C96 H48 N12 O16 Pd2 Zn4 -","2","0.125","","Ding, Yanjun; Chen, Ying-Pin; Zhang, Xinlei; Chen, Liang; Dong, Zhaohui; Jiang, Hai-Long; Xu, Hangxun; Zhou, Hong-Cai","Controlled Intercalation and Chemical Exfoliation of Layered Metal-Organic Frameworks Using a Chemically Labile Intercalating Agent.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04829","","","0.71073","MoKα","","0.1403","0.0973","","","0.1938","0.2083","","","","","","1","","","","has coordinates","198319","2020-10-21","18:00:00",""
"4126259","17.3351","0.0005","25.9113","0.0007","5.2088","0.0001","90","","90","","90","","2339.66","0.1","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C36 H23 F -","- C36 H23 F -","- C144 H92 F4 -","4","0.5","","Kistemaker, Jos C. M.; Stacko, Peter; Roke, Diederik; Wolters, Alexander Thomas; Heideman, G. Henrieke; Chang, Mu-Chieh; van der Meulen, Pieter; Visser, Johan; Otten, Edwin; Feringa, Ben L.","Third Generation Light-Driven Symmetric Molecular Motors.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04412","","","0.71073","MoKα","","0.0463","0.037","","","0.0884","0.0938","","","","","","1.03","","","","has coordinates","198491","2020-10-21","18:00:00",""
"4126260","9.5341","0.0007","14.1606","0.0011","29.111","0.002","90","","90","","90","","3930.2","0.5","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C51 H46 -","- C51 H46 -","- C204 H184 -","4","1","","Kistemaker, Jos C. M.; Stacko, Peter; Roke, Diederik; Wolters, Alexander Thomas; Heideman, G. Henrieke; Chang, Mu-Chieh; van der Meulen, Pieter; Visser, Johan; Otten, Edwin; Feringa, Ben L.","Third Generation Light-Driven Symmetric Molecular Motors.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04412","","","0.71073","MoKα","","0.0976","0.0838","","","0.2264","0.2374","","","","","","1.104","","","","has coordinates","198491","2020-10-21","18:00:00",""
"4126261","9.6932","0.0006","12.9292","0.0007","27.7082","0.0016","89.4324","0.0017","89.2885","0.0018","73.5182","0.0017","3329.5","0.3","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C47 H46 -","- C47 H46 -","- C188 H184 -","4","2","","Kistemaker, Jos C. M.; Stacko, Peter; Roke, Diederik; Wolters, Alexander Thomas; Heideman, G. Henrieke; Chang, Mu-Chieh; van der Meulen, Pieter; Visser, Johan; Otten, Edwin; Feringa, Ben L.","Third Generation Light-Driven Symmetric Molecular Motors.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04412","","","0.71073","MoKα","","0.114","0.0956","","","0.1855","0.1924","","","","","","1.209","","","","has coordinates,has disorder","198491","2020-10-21","18:00:00",""
"4126262","9.4703","0.0013","12.0235","0.0018","13.838","0.002","103.629","0.004","96.792","0.004","91.837","0.004","1517.6","0.4","200","2","200","2","","","","","","","","2","P -1","-P 1","2","","","","- C42 H28 -","- C42 H28 -","- C84 H56 -","2","1","","Kistemaker, Jos C. M.; Stacko, Peter; Roke, Diederik; Wolters, Alexander Thomas; Heideman, G. Henrieke; Chang, Mu-Chieh; van der Meulen, Pieter; Visser, Johan; Otten, Edwin; Feringa, Ben L.","Third Generation Light-Driven Symmetric Molecular Motors.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04412","","","0.71073","MoKα","","0.0961","0.0798","","","0.1753","0.1848","","","","","","1.196","","","","has coordinates","198491","2020-10-21","18:00:00",""
"4126263","11.0784","0.0005","11.921","0.0005","17.2179","0.0006","78.986","0.003","81.048","0.003","66.372","0.004","2036.98","0.16","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 Cl6 Ir2 N4 O6 -","- C34 H48 Cl6 Ir2 N4 O6 -","- C68 H96 Cl12 Ir4 N8 O12 -","2","1","","Sinha, Shashi Bhushan; Shopov, Dimitar Y.; Sharninghausen, Liam S.; Stein, Christopher J.; Mercado, Brandon Q.; Balcells, David; Pedersen, Thomas Bondo; Reiher, Markus; Brudvig, Gary W.; Crabtree, Robert H.","Redox Activity of Oxo-Bridged Iridium Dimers in an N,O-Donor Environment: Characterization of Remarkably Stable Ir(IV,V) Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04874","","","1.54184","CuKα","","0.0244","0.0215","","","0.0523","0.0542","","","","","","1.039","","","","has coordinates","198548","2020-10-21","18:00:00",""
"4126264","11.3968","0.0005","5.98855","0.00018","11.9533","0.0006","90","","112.265","0.005","90","","754.99","0.06","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 Si -","- C18 H18 Si -","- C36 H36 Si2 -","2","1","","Cheng, Biao; Lu, Peng; Zhang, Heyi; Cheng, Xinpeng; Lu, Zhan","Highly Enantioselective Cobalt-Catalyzed Hydrosilylation of Alkenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04137","","","1.54184","CuKα","","0.0631","0.0615","","","0.1604","0.1652","","","","","","1.053","","","","has coordinates","198549","2020-10-21","18:00:00",""
"4126265","11.9612","0.0004","17.6598","0.0008","25.7133","0.0009","90","","90","","90","","5431.5","0.4","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H43 Cl2 Co N3 O2 -","- C50 H43 Cl2 Co N3 O2 -","- C200 H172 Cl8 Co4 N12 O8 -","4","1","","Cheng, Biao; Lu, Peng; Zhang, Heyi; Cheng, Xinpeng; Lu, Zhan","Highly Enantioselective Cobalt-Catalyzed Hydrosilylation of Alkenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04137","","","0.71073","MoKα","","0.0527","0.0439","","","0.1081","0.115","","","","","","1.023","","","","has coordinates","198550","2020-10-21","18:00:00",""
"4126266","33.5373","0.0006","36.1722","0.0006","50.1922","0.0016","90","","107.83","0.003","90","","57965","3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C236 H170 F48 Fe4 N25 O5 S2 Sb7 -","- C235.35 H170 F27.03 Fe4 N24.675 O3.7 S1.35 Sb3.83 -","- C1882.8 H1360 F216.24 Fe32 N197.4 O29.6 S10.8 Sb30.64 -","8","2","","Ronson, Tanya K.; Meng, Wenjing; Nitschke, Jonathan R.","Design Principles for the Optimization of Guest Binding in Aromatic-Paneled Fe(II)4L6 Cages.","Journal of the American Chemical Society","2017","139","28","9698","9707","10.1021/jacs.7b05202","","","0.6889","synchrotron","","0.1357","0.116","","","0.3146","0.331","","","","","","1.034","","","","has coordinates,has disorder","199574","2020-10-21","18:00:00",""
"4126267","80.9755","0.0012","80.9755","0.0012","30.813","0.0007","90","","90","","120","","174973","5","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C243 H157.5 F48 Fe4 N31.5 O28 P S14 -","- C233.602 H157.5 F19.806 Fe4 N26.801 O9.204 P S4.602 -","- C4204.84 H2835 F356.508 Fe72 N482.418 O165.672 P18 S82.836 -","18","1","","Ronson, Tanya K.; Meng, Wenjing; Nitschke, Jonathan R.","Design Principles for the Optimization of Guest Binding in Aromatic-Paneled Fe(II)4L6 Cages.","Journal of the American Chemical Society","2017","139","28","9698","9707","10.1021/jacs.7b05202","","","0.6889","Synchrotron","","0.1851","0.1574","","","0.3924","0.4215","","","","","","1.382","","","","has coordinates,has disorder","199574","2020-10-21","18:00:00",""
"4126268","42.055","0.0017","16.872","0.0007","42.2649","0.0018","90","","98.284","0.001","90","","29676","2","180","2","180","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C270.67 H204 As4.67 F48 Fe4 N27.33 O13.33 S6.67 -","- C270.667 H204 As4.6666 F48 Fe4 N27.3334 O13.3336 S6.6668 -","- C1082.67 H816 As18.6664 F192 Fe16 N109.334 O53.3344 S26.6672 -","4","0.5","","Ronson, Tanya K.; Meng, Wenjing; Nitschke, Jonathan R.","Design Principles for the Optimization of Guest Binding in Aromatic-Paneled Fe(II)4L6 Cages.","Journal of the American Chemical Society","2017","139","28","9698","9707","10.1021/jacs.7b05202","","","1.54178","CuKα","","0.1439","0.1122","","","0.3109","0.337","","","","","","1.126","","","","has coordinates,has disorder","199574","2020-10-21","18:00:00",""
"4126269","25.513","0.003","8.0813","0.0007","16.097","0.001","90","","125.99","0.01","90","","2685.3","0.5","","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H6 K N O4 S -","- C9 K N O4 S -","- C72 K8 N8 O32 S8 -","8","1","","Lightfoot, P.; Nowinski, J. L.; Bruce, P. G.","Crystal structures of the polymer electrolytes poly(ethyne oxide)4:MSCN (M = NH4, K)","Journal of the American Chemical Society","1994","116","","7469","7470","","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","","","","","1.26","","","","has coordinates","198626","2020-10-21","18:00:00",""
"4126270","25.663","0.002","8.2318","0.0007","15.801","0.001","90","","125.26","0.01","90","","2725.6","0.5","","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 N2 O4 S -","- C9 N2 O4 S -","- C72 N16 O32 S8 -","8","1","","Lightfoot, P.; Nowinski, J. L.; Bruce, P. G.","Crystal structures of the polymer electrolytes poly(ethyne oxide)4:MSCN (M = NH4, K)","Journal of the American Chemical Society","1994","116","","7469","7470","","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","","","","","1.52","","","","has coordinates","198627","2020-10-21","18:00:00",""
"4126271","12.9593","0.0002","14.3504","0.0002","18.5552","0.0003","90","","95.896","0.001","90","","3432.48","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69.5 H102 Mg2 N6 O2 -","- C66 H98 Mg2 N6 O2 -","- C132 H196 Mg4 N12 O4 -","2","0.5","","Anker, Mathew D.; Kefalidis, Christos E.; Yang, Yan; Fang, Jian; Hill, Michael S.; Mahon, Mary F.; Maron, Laurent","Alkaline Earth-centered CO Homologation, Reduction and Amine Carbonylation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04926","","x-ray","1.54184","CuKα","","0.0724","0.0602","","","0.1592","0.1679","","","","","","1.085","","","","has coordinates","198649","2020-10-21","18:00:00",""
"4126272","13.4056","0.0001","22.4368","0.0002","22.9956","0.0002","90","","90","","90","","6916.59","0.1","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C76 H102 Mg2 N6 O2 -","- C76 H102 Mg2 N6 O2 -","- C304 H408 Mg8 N24 O8 -","4","1","","Anker, Mathew D.; Kefalidis, Christos E.; Yang, Yan; Fang, Jian; Hill, Michael S.; Mahon, Mary F.; Maron, Laurent","Alkaline Earth-centered CO Homologation, Reduction and Amine Carbonylation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04926","","x-ray","1.54184","CuKα","","0.0308","0.0293","","","0.0753","0.0763","","","","","","1.03","","","","has coordinates","198649","2020-10-21","18:00:00",""
"4126273","21.9505","0.0004","14.60243","0.00019","22.8491","0.0004","90","","113.987","0.002","90","","6691.3","0.2","150.01","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H51 Ca N3 O -","- C34 H51 Ca N3 O -","- C272 H408 Ca8 N24 O8 -","8","1","","Anker, Mathew D.; Kefalidis, Christos E.; Yang, Yan; Fang, Jian; Hill, Michael S.; Mahon, Mary F.; Maron, Laurent","Alkaline Earth-centered CO Homologation, Reduction and Amine Carbonylation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04926","","","1.54184","CuKα","","0.0454","0.0435","","","0.1145","0.1161","","","","","","1.027","","","","has coordinates","198649","2020-10-21","18:00:00",""
"4126274","13.2289","0.0002","19.8454","0.0003","14.1282","0.0002","90","","108.786","0.0017","90","","3511.53","0.1","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H102 Ca2 N6 O2 -","- C76 H102 Ca2 N6 O2 -","- C152 H204 Ca4 N12 O4 -","2","0.5","","Anker, Mathew D.; Kefalidis, Christos E.; Yang, Yan; Fang, Jian; Hill, Michael S.; Mahon, Mary F.; Maron, Laurent","Alkaline Earth-centered CO Homologation, Reduction and Amine Carbonylation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04926","","","1.54184","CuKα","","0.0501","0.0427","","","0.1114","0.1171","","","","","","1.021","","","","has coordinates","198649","2020-10-21","18:00:00",""
"4126275","12.3369","0.0003","14.1438","0.0003","24.9534","0.0006","100.966","0.002","91.498","0.002","110.918","0.002","3971.84","0.17","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C82 H129 Ca2 N5 O5 -","- C79 H117 Ca2 N5 O5 -","- C158 H234 Ca4 N10 O10 -","2","1","","Anker, Mathew D.; Kefalidis, Christos E.; Yang, Yan; Fang, Jian; Hill, Michael S.; Mahon, Mary F.; Maron, Laurent","Alkaline Earth-centered CO Homologation, Reduction and Amine Carbonylation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04926","","x-ray","1.54184","CuKα","","0.0637","0.046","","","0.1146","0.1258","","","","","","1.012","","","","has coordinates,has disorder","198649","2020-10-21","18:00:00",""
"4126276","13.88039","0.00016","11.90132","0.00012","21.61","0.0002","90","","100.007","0.0011","90","","3515.56","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 Mg N3 O -","- C40 H52 Mg N3 O -","- C160 H208 Mg4 N12 O4 -","4","1","","Anker, Mathew D.; Kefalidis, Christos E.; Yang, Yan; Fang, Jian; Hill, Michael S.; Mahon, Mary F.; Maron, Laurent","Alkaline Earth-centered CO Homologation, Reduction and Amine Carbonylation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04926","","","1.54184","CuKα","","0.0557","0.051","","","0.1369","0.1411","","","","","","1.04","","","","has coordinates","198649","2020-10-21","18:00:00",""
"4126277","15.3517","0.0007","15.5044","0.0006","19.184","0.0006","85.931","0.003","76.247","0.003","72.926","0.004","4239.8","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C84.8 H133.2 B Ca2 N5 O5 -","- C84.8 H133.2 B Ca2 N5 O5 -","- C169.6 H266.4 B2 Ca4 N10 O10 -","2","1","","Anker, Mathew D.; Kefalidis, Christos E.; Yang, Yan; Fang, Jian; Hill, Michael S.; Mahon, Mary F.; Maron, Laurent","Alkaline Earth-centered CO Homologation, Reduction and Amine Carbonylation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04926","","x-ray","1.54184","CuKα","","0.0932","0.0675","","","0.1795","0.1999","","","","","","1.041","","","","has coordinates,has disorder","198649","2020-10-21","18:00:00",""
"4126278","36.2023","0.0007","41.1857","0.0008","44.1204","0.0009","90","","104.399","0.002","90","","63718","2","230","2","230.01","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Au103 S2 S(Naph)41","","","- C410 H287 Au103 S43 -","- C410 H287 Au103 S43 -","- C1640 H1148 Au412 S172 -","4","0.5","","Higaki, Tatsuya; Liu, Chong; Zhou, Meng; Luo, Tian-Yi; Rosi, Nathaniel L.; Jin, Rongchao","Tailoring the Structure of 58-Electron Gold Nanoclusters: Au103S2(S-Nap)41 and Its Implications.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04678","","","1.54178","CuKα","","0.1573","0.0937","","","0.2498","0.3111","","","","","","1.092","","","","has coordinates","198683","2020-10-21","18:00:00",""
"4126279","5.4836","0.0005","9.4307","0.0009","19.988","0.002","90","","90.448","0.006","90","","1033.63","0.17","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H12.09 O0.95 -","- C15 H12.092 O0.954 -","- C60 H48.368 O3.816 -","4","1","","Zhao, Jiannan; Brosmer, Jonathan L.; Tang, Qingxuan; Yang, Zhongyue; Houk, K. N.; Diaconescu, Paula L.; Kwon, Ohyun","Intramolecular Crossed [2+2] Photocycloaddition through Visible Light-Induced Energy Transfer.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05277","","","1.54178","CuKα","","0.0526","0.0473","","","0.1357","0.1391","","","","","","1.078","","","","has coordinates,has disorder","198684","2020-10-21","18:00:00",""
"4126280","9.8879","0.0008","7.0703","0.0006","17.6044","0.0013","90","","92.236","0.004","90","","1229.79","0.17","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O -","- C17 H14 O -","- C68 H56 O4 -","4","1","","Zhao, Jiannan; Brosmer, Jonathan L.; Tang, Qingxuan; Yang, Zhongyue; Houk, K. N.; Diaconescu, Paula L.; Kwon, Ohyun","Intramolecular Crossed [2+2] Photocycloaddition through Visible Light-Induced Energy Transfer.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05277","","","1.54178","CuKα","","0.0626","0.0567","","","0.1437","0.1497","","","","","","1.054","","","","has coordinates","198685","2020-10-21","18:00:00",""
"4126281","9.198","0.0002","27.5739","0.0019","14.0441","0.0003","90","","90","","90","","3561.9","0.3","85","","85","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C108 H232 B12 F12 K4 N12 O32 -","- C108 H232 B12 F12 K4 N12 O32 -","- C108 H232 B12 F12 K4 N12 O32 -","1","0.25","","Geri, Jacob B.; Szymczak, Nathaniel K.","Recyclable Trifluoromethylation Reagents from Fluoroform","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05408","","","1.54187","CuKα","","0.0341","0.0336","","","0.0834","0.0838","","","","","","1.054","","","","has coordinates","198693","2020-10-21","18:00:00",""
"4126282","8.7712","0.0002","22.1274","0.0004","15.9338","0.0011","90","","90.135","0.006","90","","3092.5","0.2","225","","225","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","K(18-crown-6)Me6B3N3(CH2C6H5)","","- C25 H49 B3 K N3 O6 -","- C25 H49 B3 K N3 O6 -","- C100 H196 B12 K4 N12 O24 -","4","1","","Geri, Jacob B.; Szymczak, Nathaniel K.","Recyclable Trifluoromethylation Reagents from Fluoroform","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05408","","","1.54187","CuKα","","0.0679","0.0668","","","0.1814","0.1829","","","","","","1.044","","","","has coordinates","198693","2020-10-21","18:00:00",""
"4126283","15.9373","0.0006","6.0706","0.0002","16.2408","0.0006","90","","105.336","0.002","90","","1515.33","0.1","100","2","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","2","","Kim, Daniel K.; Riedel, Jan; Kim, Raphael S.; Dong, Vy M.","Cobalt Catalysis for Enantioselective Cyclobutanone Construction.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05327","","","1.54178","CuKα","","0.0338","0.0319","","","0.077","0.0785","","","","","","1.057","","","","has coordinates,has disorder","198724","2020-10-21","18:00:00",""
"4126284","21.4759","0.0011","21.4759","0.0011","6.8613","0.0004","90","","90","","120","","2740.6","0.3","100","","100","","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(mm-2)1.83","","","- C21.32 H27.96 N3.66 O6 Zn2 -","- C21.28 H27.84 N3.82 O6 Zn2 -","- C63.84 H83.52 N11.46 O18 Zn6 -","3","0.5","","Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R.","Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05858","","","0.7749","synchrotron","","0.0482","0.0414","","","0.1337","0.1368","","","","","","1.102","","","","has coordinates,has disorder","198805","2020-10-21","18:00:00",""
"4126285","21.2594","0.0011","21.2594","0.0011","6.7655","0.0004","90","","90","","120","","2648.1","0.2","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","Zn2(dobpdc)(m-2-CO2)1.62","","","- C20.48 H22.2 N3.24 O9.24 Zn2 -","- C20.48 H22.2 N3.24 O9.24 Zn2 -","- C61.44 H66.6 N9.72 O27.72 Zn6 -","3","0.5","","Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R.","Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05858","","","0.7749","synchrotron","","0.057","0.0513","","","0.126","0.1283","","","","","","1.14","","","","has coordinates,has disorder","198806","2020-10-21","18:00:00",""
"4126286","21.6857","0.0008","21.6857","0.0008","6.8891","0.0003","90","","90","","120","","2805.69","0.19","195","","195","","","","","","","","","5","P 32 2 1","P 32 2""","154","Zn2(dobpdc)(e-2-e-CO2)(e-2-e)","","","- C27 H38 N4 O8 Zn2 -","- C21 H22 N2 O9 Zn2 -","- C63 H66 N6 O27 Zn6 -","3","0.5","","Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R.","Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05858","","","0.7749","synchrotron","","0.068","0.0645","","","0.161","0.1628","","","","","","1.232","","","","has coordinates,has disorder","198807","2020-10-21","18:00:00",""
"4126287","21.7573","0.0008","21.7573","0.0008","6.9089","0.0003","90","","90","","120","","2832.37","0.19","100","","100","","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(e-2-e)1.26","","","- C21.56 H26.16 N2.52 O6 Zn2 -","- C21.536 H26.068 N3.256 O6 Zn2 -","- C64.608 H78.204 N9.768 O18 Zn6 -","3","0.5","","Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R.","Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05858","","","0.7293","synchrotron","","0.0496","0.0478","","","0.1343","0.1355","","","","","","1.163","","","","has coordinates,has disorder","198808","2020-10-21","18:00:00",""
"4126288","21.662","0.0006","21.662","0.0006","6.8262","0.0002","90","","90","","120","","2774","0.14","100","","100","","","","","","","","","5","P 32 2 1","P 32 2""","154","Zn2(dobpdc)(ee-2)1.65","","","- C23.89 H33.97 N3.3 O6.8 Zn2 -","- C23.864 H35.04 N3.644 O6.78 Zn2 -","- C71.592 H105.12 N10.932 O20.34 Zn6 -","3","0.5","","Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R.","Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05858","","","0.8856","synchrotron","","0.0509","0.0398","","","0.0902","0.0944","","","","","","1.053","","","","has coordinates,has disorder","198809","2020-10-21","18:00:00",""
"4126289","12.6869","0.001","13.4548","0.001","14.0726","0.001","74.813","0.002","78.417","0.002","81.985","0.002","2261.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Fe(TTP)(CCl2)]1.5C6H6","","","- C29 H22.5 Cl Fe0.5 N2 -","- C29 H22.5 Cl Fe0.5 N2 -","- C116 H90 Cl4 Fe2 N8 -","4","2","","Liu, Yulong; Xu, Wei; Zhang, Jing; Fuller, William; Schulz, Charles E.; Li, Jianfeng","The Electronic Configuration and Ligand Nature of Five Coordinate Iron Porphyrin Carbene Complexes: An Experimental Study.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01722","","","0.71073","MoKα","","0.0391","0.0322","","","0.0798","0.0838","","","","","","1.024","","","","has coordinates","198956","2020-10-21","18:00:00",""
"4126290","14.4645","0.0009","16.4098","0.0009","23.5118","0.0015","90","","107.508","0.002","90","","5322.2","0.6","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[FeTFPP][Ph2C]","","","- C66 H27 F20 Fe N4 -","- C66 H27 F20 Fe N4 -","- C264 H108 F80 Fe4 N16 -","4","1","","Liu, Yulong; Xu, Wei; Zhang, Jing; Fuller, William; Schulz, Charles E.; Li, Jianfeng","The Electronic Configuration and Ligand Nature of Five Coordinate Iron Porphyrin Carbene Complexes: An Experimental Study.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01722","","","0.71073","MoKα","","0.0584","0.0437","","","0.1027","0.1146","","","","","","1.042","","","","has coordinates","198957","2020-10-21","18:00:00",""
"4126291","10.197","0.0005","16.4382","0.0007","17.6122","0.0008","90","","100.323","0.003","90","","2904.4","0.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H40 B2 Cl3 N O Si2 -","- C22 H40 B2 Cl3 N O Si2 -","- C88 H160 B8 Cl12 N4 O4 Si8 -","4","1","","Lu, Wei; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Alkene-Carbene Isomerization induced by Borane: Access to an Asymmetrical Diborene.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02251","","","0.71073","MoKα","","0.0969","0.0536","","","0.1176","0.14","","","","","","1.014","","","","has coordinates","198958","2020-10-21","18:00:00",""
"4126292","35.635","0.003","7.2343","0.0005","19.7089","0.0015","90","","90","","90","","5080.8","0.7","153","2","153","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H40 B N O Si2 -","- C22 H40 B N O Si2 -","- C176 H320 B8 N8 O8 Si16 -","8","1","","Lu, Wei; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Alkene-Carbene Isomerization induced by Borane: Access to an Asymmetrical Diborene.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02251","","","0.71073","MoKα","","0.0733","0.051","","","0.1063","0.1159","","","","","","1.055","","","","has coordinates,has disorder","198959","2020-10-21","18:00:00",""
"4126293","14.4344","0.0002","20.9581","0.0003","23.3737","0.0003","90","","94.415","0.0008","90","","7049.97","0.17","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H107 B3 Br2 N4 O Si2 -","- C68 H107 B3 Br2 N4 O Si2 -","- C272 H428 B12 Br8 N16 O4 Si8 -","4","1","","Lu, Wei; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Alkene-Carbene Isomerization induced by Borane: Access to an Asymmetrical Diborene.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02251","","","1.54178","CuKα","","0.0633","0.0529","","","0.1495","0.1591","","","","","","1.082","","","","has coordinates","198960","2020-10-21","18:00:00",""
"4126294","20.6001","0.001","9.5028","0.0004","18.7349","0.0014","90","","121.314","0.0015","90","","3133.3","0.3","103","2","103","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H40 B3 Br4 N O Si2 -","- C22 H40 B3 Br4 N O Si2 -","- C88 H160 B12 Br16 N4 O4 Si8 -","4","1","","Lu, Wei; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Alkene-Carbene Isomerization induced by Borane: Access to an Asymmetrical Diborene.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02251","","","0.71073","MoKα","","0.1127","0.0583","","","0.0921","0.1069","","","","","","1.008","","","","has coordinates","198961","2020-10-21","18:00:00",""
"4126295","15.3374","0.0006","37.0863","0.0014","13.4231","0.0005","90","","104.892","0.0017","90","","7378.7","0.5","150","","150","","","","","","","","dichloromethane","7","P 1 21/c 1","-P 2ybc","14","","Title","","- C28.25 H34.5 Cl0.5 F12 N4 P2 Sb2 -","- C28.25 H34.5 Cl0.5 F12 N4 P2 Sb2 -","- C226 H276 Cl4 F96 N32 P16 Sb16 -","8","2","","Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel","α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.","Journal of the American Chemical Society","2017","139","13","4948","4953","10.1021/jacs.7b01441","","","1.54178","Cu-Kα","","0.084","0.0724","","","0.1879","0.1972","","","","","","1.028","","","","has coordinates,has disorder","199580","2020-10-21","18:00:00",""
"4126296","17.492","0.002","15.774","0.002","17.985","0.002","90","","111.088","0.002","90","","4630.1","0.9","100","","100","","","","","","","","dichlormethane","9","P 1 21/c 1","-P 2ybc","14","","Title","","- C32 H34 Cl D6 F12 N6 P2 Rh Sb2 -","- C32 H34 Cl D6 F12 N6 P2 Rh Sb2 -","- C128 H136 Cl4 D24 F48 N24 P8 Rh4 Sb8 -","4","1","","Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel","α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.","Journal of the American Chemical Society","2017","139","13","4948","4953","10.1021/jacs.7b01441","","","0.71073","Mo-Kα","","0.0748","0.0511","","","0.103","0.1098","","","","","","1.059","","","","has coordinates","199580","2020-10-21","18:00:00",""
"4126297","17.7583","0.0018","12.1947","0.0012","18.3067","0.0018","90","","91.115","0.002","90","","3963.7","0.7","100","","100","","","","","","","","acetonitrile","8","P 1 21/n 1","-P 2yn","14","","Title","","- C38 H45 B2 Cl F8 N5 P2 Rh -","- C38 H45 B2 Cl F8 N5 P2 Rh -","- C152 H180 B8 Cl4 F32 N20 P8 Rh4 -","4","1","","Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel","α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.","Journal of the American Chemical Society","2017","139","13","4948","4953","10.1021/jacs.7b01441","","","0.71073","Mo-Kα","","0.0517","0.0332","","","0.089","0.1114","","","","","","1.138","","","","has coordinates","199580","2020-10-21","18:00:00",""
"4126298","4.3521","0.0007","11.0812","0.0017","17.984","0.003","77.396","0.003","85.184","0.003","79.972","0.003","832.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H18 F14 O4 -","- C40 H18 F12 O4 -","- C40 H18 F12 O4 -","1","0.5","","Sharber, Seth A.; Baral, Rom Nath; Frausto, Fanny; Haas, Terry E.; Müller, Peter; Thomas Iii, Samuel W.","Substituent Effects That Control Conjugated Oligomer Conformation through Non-covalent Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00878","","","0.71073","MoKα","","0.0531","0.04","","","0.1042","0.1242","","","","","","1.109","","","","has coordinates,has disorder","198965","2020-10-21","18:00:00",""
"4126299","15.0758","0.0013","7.8387","0.0006","15.6727","0.0013","90","","107.343","0.002","90","","1767.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H20 F10 O8 -","- C42 H20 F10 O8 -","- C84 H40 F20 O16 -","2","0.5","","Sharber, Seth A.; Baral, Rom Nath; Frausto, Fanny; Haas, Terry E.; Müller, Peter; Thomas Iii, Samuel W.","Substituent Effects That Control Conjugated Oligomer Conformation through Non-covalent Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00878","","","0.71073","MoKα","","0.0625","0.0488","","","0.1305","0.1452","","","","","","1.052","","","","has coordinates","198966","2020-10-21","18:00:00",""
"4126300","7.4559","0.0015","17.895","0.004","27.244","0.005","88.26","0.03","83.74","0.03","87.72","0.03","3609.2","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 F10 N2 O4 -","- C42 H26 F10 N2 O4 -","- C168 H104 F40 N8 O16 -","4","2","","Sharber, Seth A.; Baral, Rom Nath; Frausto, Fanny; Haas, Terry E.; Müller, Peter; Thomas Iii, Samuel W.","Substituent Effects That Control Conjugated Oligomer Conformation through Non-covalent Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00878","","","0.71073","MoKα","","0.1308","0.1095","","","0.2923","0.3067","","","","","","1.081","","","","has coordinates","198968","2020-10-21","18:00:00",""
"4126301","14.7037","0.0015","5.7576","0.0006","21.544","0.002","90","","102.768","0.002","90","","1778.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H20 F10 O6 -","- C42 H20 F10 O8 -","- C84 H40 F20 O16 -","2","0.5","","Sharber, Seth A.; Baral, Rom Nath; Frausto, Fanny; Haas, Terry E.; Müller, Peter; Thomas Iii, Samuel W.","Substituent Effects That Control Conjugated Oligomer Conformation through Non-covalent Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00878","","","0.71073","MoKα","","0.0436","0.0351","","","0.0916","0.1075","","","","","","1.136","","","","has coordinates","198969","2020-10-21","18:00:00",""
"4126302","7.6773","0.0006","9.1349","0.0007","12.3066","0.001","105.718","0.002","91.546","0.002","99.403","0.002","817.33","0.11","101","2","101","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H24 F6 O6 -","- C40 H24 F6 O6 -","- C40 H24 F6 O6 -","1","0.5","","Sharber, Seth A.; Baral, Rom Nath; Frausto, Fanny; Haas, Terry E.; Müller, Peter; Thomas Iii, Samuel W.","Substituent Effects That Control Conjugated Oligomer Conformation through Non-covalent Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00878","","","0.71073","MoKα","","0.0519","0.043","","","0.1113","0.1187","","","","","","1.032","","","","has coordinates","198970","2020-10-21","18:00:00",""
"4126303","4.8046","0.0018","22.141","0.009","14.748","0.006","90","","93.177","0.008","90","","1566.5","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H18 F6 N2 O4 -","- C40 H18 F6 N2 O4 -","- C80 H36 F12 N4 O8 -","2","0.5","","Sharber, Seth A.; Baral, Rom Nath; Frausto, Fanny; Haas, Terry E.; Müller, Peter; Thomas Iii, Samuel W.","Substituent Effects That Control Conjugated Oligomer Conformation through Non-covalent Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00878","","","0.71073","MoKα","","0.2047","0.1882","","","0.4651","0.4726","","","","","","1.127","","","","has coordinates","198971","2020-10-21","18:00:00",""
"4126304","6.9872","0.0011","7.1084","0.0011","35.914","0.006","87.261","0.003","86.899","0.003","73.297","0.004","1705","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H14 F16 O4 -","- C40 H14 F16 O4 -","- C80 H28 F32 O8 -","2","1","","Sharber, Seth A.; Baral, Rom Nath; Frausto, Fanny; Haas, Terry E.; Müller, Peter; Thomas Iii, Samuel W.","Substituent Effects That Control Conjugated Oligomer Conformation through Non-covalent Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00878","","","0.71073","MoKα","","0.1416","0.1335","","","0.3509","0.3534","","","","","","2.452","","","","has coordinates","198972","2020-10-21","18:00:00",""
"4126305","14.7008","0.0016","7.6554","0.0008","58.176","0.006","90","","90","","90","","6547.2","1.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C40 H18 F12 O4 -","- C40 H18 F12 O4 -","- C320 H144 F96 O32 -","8","2","","Sharber, Seth A.; Baral, Rom Nath; Frausto, Fanny; Haas, Terry E.; Müller, Peter; Thomas Iii, Samuel W.","Substituent Effects That Control Conjugated Oligomer Conformation through Non-covalent Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00878","","","0.71073","MoKα","","0.0466","0.0448","","","0.122","0.1272","","","","","","1.144","","","","has coordinates","198973","2020-10-21","18:00:00",""
"4126306","16.1026","0.0017","5.6463","0.0007","17.9272","0.0017","90","","102.455","0.008","90","","1591.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H14 F10 N2 O8 -","- C38 H14 F10 N2 O8 -","- C76 H28 F20 N4 O16 -","2","0.5","","Sharber, Seth A.; Baral, Rom Nath; Frausto, Fanny; Haas, Terry E.; Müller, Peter; Thomas Iii, Samuel W.","Substituent Effects That Control Conjugated Oligomer Conformation through Non-covalent Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00878","","","1.54178","CuKα","","0.0772","0.0586","","","0.1462","0.1626","","","","","","1.035","","","","has coordinates","198974","2020-10-21","18:00:00",""
"4126307","13.195","0.004","28.087","0.007","10.834","0.003","90","","96.998","0.007","90","","3985.3","1.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C180 H156 Cl12 N24 O12 -","12","3","","Derosa, Joseph; Cantu, Annabelle L.; Boulous, Mark N.; O'Duill, Miriam L; Turnbull, Joshua L.; Liu, Zhen; De La Torre, Daizy M.; Engle, Keary M.","Palladium(II)-Catalyzed Directed anti-Hydrochlorination of Unactivated Alkynes with HCl.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00892","","","0.71073","MoKα","","0.0859","0.0464","","","0.0926","0.1092","","","","","","1.016","","","","has coordinates","198975","2020-10-21","18:00:00",""
"4126308","24.8124","0.0004","24.8124","0.0004","47.889","0.0016","90","","90","","90","","29483.1","1.2","180","2","180","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C260 H180 As8 F48 Fe4 N28 -","- C260 H174 As6.2 F36.4 Fe4 N28 -","- C1040 H696 As24.8 F145.6 Fe16 N112 -","4","","","Ronson, Tanya K.; Meng, Wenjing; Nitschke, Jonathan R.","Design Principles for the Optimization of Guest Binding in Aromatic-Paneled Fe(II)4L6 Cages.","Journal of the American Chemical Society","2017","139","28","9698","9707","10.1021/jacs.7b05202","","","1.54178","CuKα","","0.1463","0.1212","","","0.3341","0.3575","","","","","","1.125","","","","has coordinates,has disorder","199574","2020-10-21","18:00:00",""
"4126309","7.732","0.007","10.312","0.009","11.343","0.009","78.07","0.02","72.22","0.02","75.6","0.02","825.7","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cl4 N2 O2 U -","- C10 H12 Cl4 N2 O2 U -","- C20 H24 Cl8 N4 O4 U2 -","2","1","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.71073","MoKα","","0.0238","0.017","","","0.0392","0.0428","","","","","","1.067","","","","has coordinates","199346","2020-10-21","18:00:00",""
"4126310","7.7161","0.0006","10.2869","0.0009","11.274","0.0009","78.003","0.002","71.909","0.002","75.712","0.002","815.91","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cl4 N2 Np O2 -","- C10 H12 Cl4 N2 Np O2 -","- C20 H24 Cl8 N4 Np2 O4 -","2","1","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.56086","AgKα","","0.0614","0.031","","","0.0573","0.0649","","","","","","1.069","","","","has coordinates","199346","2020-10-21","18:00:00",""
"4126311","15.7687","0.001","6.7068","0.0004","9.0971","0.0006","90","","105.585","0.002","90","","926.71","0.1","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H10 Cl6 N2 Np O2 -","- C10 H10 Cl6 N2 Np O2 -","- C20 H20 Cl12 N4 Np2 O4 -","2","0.25","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.71073","MoKα","","0.0261","0.0248","","","0.0457","0.0462","","","","","","1.072","","","","has coordinates","199346","2020-10-21","18:00:00",""
"4126312","15.9996","0.0011","8.6659","0.0006","6.8488","0.0005","90","","102.023","0.002","90","","928.76","0.11","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C10 H10 Br2 Cl4 N2 Np O2 -","- C10 H10 Br2 Cl4 N2 Np O2 -","- C20 H20 Br4 Cl8 N4 Np2 O4 -","2","0.25","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.56086","AgKα","","0.0166","0.0165","","","0.0332","0.0333","","","","","","1.037","","","","has coordinates","199346","2020-10-21","18:00:00",""
"4126313","16.3553","0.0008","8.668","0.0004","6.9455","0.0003","90","","102.394","0.001","90","","961.7","0.08","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C10 H10 Cl4 I2 N2 Np O2 -","- C10 H10 Cl4 I2 N2 Np O2 -","- C20 H20 Cl8 I4 N4 Np2 O4 -","2","0.25","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.71073","MoKα","","0.043","0.0333","","","0.059","0.0628","","","","","","1.191","","","","has coordinates","199346","2020-10-21","18:00:00",""
"4126314","7.7417","0.0004","10.3137","0.0005","11.2637","0.0006","77.936","0.001","71.773","0.001","75.432","0.001","818.42","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cl4 N2 O2 Pu -","- C10 H12 Cl4 N2 O2 Pu -","- C20 H24 Cl8 N4 O4 Pu2 -","2","1","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.71073","MoKα","","0.0321","0.0208","","","0.0467","0.0512","","","","","","1.055","","","","has coordinates","199346","2020-10-21","18:00:00",""
"4126315","15.8025","0.0011","6.7045","0.0005","9.1106","0.0006","90","","105.384","0.002","90","","930.66","0.11","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H10 Cl6 N2 O2 Pu -","- C10 H10 Cl5.998 N2 O2 Pu -","- C20 H20 Cl11.996 N4 O4 Pu2 -","2","0.25","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.56086","AgKα","","0.0412","0.0322","","","0.0671","0.0697","","","","","","1.082","","","","has coordinates,has disorder","199346","2020-10-21","18:00:00",""
"4126316","16.1488","0.0009","8.734","0.0005","6.7757","0.0004","90","","101.912","0.002","90","","935.09","0.09","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C10 H10 Br2 Cl4 N2 O2 Pu -","- C10 H10 Br2 Cl4 N2 O2 Pu -","- C20 H20 Br4 Cl8 N4 O4 Pu2 -","2","0.25","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.56086","AgKα","","0.0176","0.0176","","","0.0423","0.0423","","","","","","1.068","","","","has coordinates","199346","2020-10-21","18:00:00",""
"4126317","16.4644","0.0011","8.7019","0.0005","6.8794","0.0005","90","","102.267","0.002","90","","963.12","0.11","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C10 H10 Cl4 I2 N2 O2 Pu -","- C10 H10 Cl4 I2 N2 O2 Pu -","- C20 H20 Cl8 I4 N4 O4 Pu2 -","2","0.25","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.56086","AgKα","","0.021","0.0202","","","0.0512","0.0517","","","","","","1.107","","","","has coordinates","199346","2020-10-21","18:00:00",""
"4126318","15.705","0.004","6.5663","0.0018","9.05","0.003","90","","105.538","0.003","90","","899.2","0.4","110","2","110","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H10 Cl6 N2 Np O2 -","- C10 H10 Cl6 N2 Np O2 -","- C20 H20 Cl12 N4 Np2 O4 -","2","0.25","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.71073","MoKα","","0.0189","0.0189","","","0.0394","0.0394","","","","","","1.06","","","","has coordinates","199346","2020-10-21","18:00:00",""
"4126319","15.715","0.002","8.6156","0.0011","6.874","0.0009","90","","102.349","0.001","90","","909.2","0.2","110","2","110","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C10 H10 Br2 Cl4 N2 Np O2 -","- C10 H10 Br2 Cl4 N2 Np O2 -","- C20 H20 Br4 Cl8 N4 Np2 O4 -","2","0.25","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.71073","MoKα","","0.0142","0.0133","","","0.0292","0.0297","","","","","","1.064","","","","has coordinates","199346","2020-10-21","18:00:00",""
"4126320","16.084","0.004","8.61","0.002","6.9394","0.0018","90","","103.004","0.003","90","","936.3","0.4","110","2","110","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C10 H10 Cl4 I2 N2 Np O2 -","- C10 H10 Cl4 I2 N2 Np O2 -","- C20 H20 Cl8 I4 N4 Np2 O4 -","2","0.25","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.71073","MoKα","","0.0233","0.0198","","","0.0409","0.0425","","","","","","1.14","","","","has coordinates","199346","2020-10-21","18:00:00",""
"4126321","12.281","0.0006","20.641","0.001","21.993","0.001","90","","90","","90","","5575.1","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Keinan-70","","","- C44 H62 Cl2 N32 O16 -","- C44 H62 Cl2 N32 O16 -","- C176 H248 Cl8 N128 O64 -","4","0.5","","Reany, Ofer; Li, Amanda; Yefet, Maayan; Gilson, Michael K.; Keinan, Ehud","Attractive Interactions between Heteroallenes and the Cucurbituril Portal.","Journal of the American Chemical Society","2017","139","24","8138","8145","10.1021/jacs.6b13005","","","0.71073","MoKα","","0.0435","0.0389","","","0.1081","0.1112","","","","","","1.059","","","","has coordinates","199522","2020-10-21","18:00:00",""
"4126322","11.2513","0.0009","15.1785","0.0012","46.44","0.004","90","","96.374","0.004","90","","7881.9","1.1","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 Br2 Fe N2 P4 -","- C44 H46 Br2 Fe N2 P4 -","- C352 H368 Br16 Fe8 N16 P32 -","8","2","","Prokopchuk, Demyan E.; Wiedner, Eric S.; Walter, Eric D.; Popescu, Codrina V.; Piro, Nicholas A.; Kassel, W. Scott; Bullock, R. Morris; Mock, Michael T.","Catalytic N2 Reduction to Silylamines and Thermodynamics of N2 Binding at Square Planar Fe.","Journal of the American Chemical Society","2017","139","27","9291","9301","10.1021/jacs.7b04552","","","0.71073","MoKα","","0.0863","0.0778","","","0.2221","0.2297","","","","","","1.057","","","","has coordinates","199523","2020-10-21","18:00:00",""
"4126323","20.499","0.008","22.937","0.007","23.325","0.01","74.83","0.02","83.7","0.04","80.25","0.05","10407","7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C174 H184 N12 Ni3 O2 -","- C174 H184 N12 Ni3 O2 -","- C348 H368 N24 Ni6 O4 -","2","1","","Fukui, Norihito; Kim, Taeyeon; Kim, Dongho; Osuka, Atsuhiro","Porphyrin Arch-Tapes: Synthesis, Contorted Structures, and Full Conjugation.","Journal of the American Chemical Society","2017","139","26","9075","9088","10.1021/jacs.7b05332","","","1.54187","CuKα","","0.158","0.0994","","","0.2642","0.2898","","","","","","1.06","","","","has coordinates","199524","2020-10-21","18:00:00",""
"4126324","5.7041","0.0007","7.4617","0.0009","35.703","0.005","90","","90","","90","","1519.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br F O3 -","- C17 H16 Br F O3 -","- C68 H64 Br4 F4 O12 -","4","1","","van der Mei, Farid W.; Qin, Changming; Morrison, Ryan J.; Hoveyda, Amir H.","Practical, Broadly Applicable, α-Selective, Z-Selective, Diastereoselective, and Enantioselective Addition of Allylboron Compounds to Mono-, Di-, Tri-, and Polyfluoroalkyl Ketones.","Journal of the American Chemical Society","2017","139","26","9053","9065","10.1021/jacs.7b05011","","","0.71073","MoKα","","0.0434","0.0389","","","0.0901","0.0918","","","","","","1.113","","","","has coordinates","199525","2020-10-21","18:00:00",""
"4126325","18.508","0.003","29.695","0.005","18.979","0.004","90","","100.017","0.015","90","","10272","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H130 Co3 N6 Na6 O18 -","- C102 H130 Co3 N6 Na6 O18 -","- C408 H520 Co12 N24 Na24 O72 -","4","0.5","","Andrez, Julie; Guidal, Valentin; Scopelliti, Rosario; Pécaut, Jacques; Gambarelli, Serge; Mazzanti, Marinella","Ligand and Metal Based Multielectron Redox Chemistry of Cobalt Supported by Tetradentate Schiff Bases.","Journal of the American Chemical Society","2017","139","25","8628","8638","10.1021/jacs.7b03604","","","0.71073","MoKα","","0.1759","0.0852","","","0.1666","0.2108","","","","","","1.083","","","","has coordinates","199526","2020-10-21","18:00:00",""
"4126326","42.558","0.006","7.4566","0.001","15.434","0.002","90","","99.516","0.003","90","","4830.4","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 N2 O -","- C31 H24 N2 O -","- C248 H192 N16 O8 -","8","1","","Zhang, Wen; Chen, Pinhong; Liu, Guosheng","Copper-Catalyzed Arylation of Benzylic C-H bonds with Alkylarenes as the Limiting Reagents.","Journal of the American Chemical Society","2017","139","23","7709","7712","10.1021/jacs.7b03781","","","0.71073","MoKα","","0.0754","0.0528","","","0.1356","0.1494","","","","","","1.034","","","","has coordinates","199527","2020-10-21","18:00:00",""
"4126327","32.059","0.002","12.5985","0.0008","21.8637","0.0012","90","","104.459","0.003","90","","8550.9","0.9","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Co(TBDAP)(OOCH3CH2CONO)](BPh4)","","","- C49 H57 B Co N5 O2 -","- C49 H57 B Co N5 O2 -","- C392 H456 B8 Co8 N40 O16 -","8","1","","Noh, Hyeonju; Jeong, Donghyun; Ohta, Takehiro; Ogura, Takashi; Valentine, Joan Selverstone; Cho, Jaeheung","Distinct Reactivity of a Mononuclear Peroxocobalt(III) Species toward Activation of Nitriles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04479","","","0.71073","MoKa","","0.1172","0.0549","","","0.1351","0.1761","","","","","","1.014","","","","has coordinates","199529","2020-10-21","18:00:00",""
"4126328","7.2193","0.0004","6.1407","0.0004","13.5485","0.0007","90","","92.901","0.005","90","","599.86","0.06","98","","98","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O2 -","- C12 H22 O2 -","- C24 H44 O4 -","2","1","","Jin, Shengfei; Nguyen, Vu T.; Dang, Hang T.; Nguyen, Dat P.; Arman, Hadi D.; Larionov, Oleg V.","Photoinduced Carboborative Ring Contraction Enables Regio- and Stereoselective Synthesis of Multiply Substituted Five-Membered Carbocycles and Heterocycles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07128","","x-ray","0.71073","MoKα","","0.0383","0.0368","","","0.0925","0.0937","","","","","","1.025","","","","has coordinates","199706","2020-10-21","18:00:00",""
"4126329","8.7558","0.0003","11.1462","0.0004","21.2016","0.0007","90","","90","","90","","2069.15","0.12","293","","292.7","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N2 O -","- C27 H23 N O -","- C108 H92 N4 O4 -","4","1","","Li, Zhanyu; Zhao, Jinbo; Sun, Baozhen; Zhou, Tingting; Liu, Mingzhu; Liu, Shuang; Zhang, Mengru; Zhang, Qian","Asymmetric Nitrone Synthesis via Ligand-Enabled Copper-Catalyzed Cope-Type Hydroamination of Cyclopropene with Oxime.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06523","","","1.54178","CuKα","","0.0468","0.043","","","0.1055","0.1094","","","","","","1.067","","","","has coordinates","199858","2020-10-21","18:00:00",""
"4126330","23.694","0.005","25.662","0.005","38.749","0.008","90","","91.82","0.03","90","","23549","8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C138 H333 Ge27 P3 Si36 -","- C138 H333 Ge27 P3 Si36 -","- C552 H1332 Ge108 P12 Si144 -","4","1","","Geitner, Felix S.; Dums, Jasmin V.; Fässler, Thomas F","Derivatization of Phosphine Ligands with Bulky Deltahedral Zintl Clusters-Synthesis of Charge Neutral Zwitterionic Tetrel Cluster Compounds [(Ge9{Si(TMS)3}2)(t)Bu2P]M(NHC(Dipp)) (M: Cu, Ag, Au).","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05834","","","0.71073","MoKα","","0.0807","0.0499","","","0.1114","0.128","","","","","","1.032","","","","has coordinates,has disorder","199904","2020-10-21","18:00:00",""
"4126331","10.612","0.003","19.721","0.005","14.299","0.003","90","","132.356","0.013","90","","2211.4","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 B10 O -","- C21 H24 B10 O -","- C84 H96 B40 O4 -","4","1","","Zhang, Xiaolei; Zheng, Hongning; Li, Jie; Xu, Fei; Zhao, Jing; Yan, Hong","Selective Catalytic B-H Arylation of o-Carboanyl Aldehydes by a Transient Directing Strategy.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07160","","","0.71073","MoKα","","0.1054","0.0701","","","0.1283","0.1334","","","","","","1.897","","","","has coordinates","199930","2020-10-21","18:00:00",""
"4126332","10.5635","0.0007","13.8678","0.0009","18.2585","0.0012","90","","94.633","0.001","90","","2666","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H28 B10 O5 -","- C25 H28 B10 O5 -","- C100 H112 B40 O20 -","4","2","","Zhang, Xiaolei; Zheng, Hongning; Li, Jie; Xu, Fei; Zhao, Jing; Yan, Hong","Selective Catalytic B-H Arylation of o-Carboanyl Aldehydes by a Transient Directing Strategy.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07160","","","0.71073","MoKα","","0.0335","0.0314","","","0.0819","0.0832","","","","","","1.039","","","","has coordinates","199930","2020-10-21","18:00:00",""
"4126333","6.8465","0.0015","20.956","0.005","13.704","0.003","90","","93.307","0.007","90","","1962.9","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 B10 N O -","- C16 H19 B10 N O -","- C64 H76 B40 N4 O4 -","4","1","","Zhang, Xiaolei; Zheng, Hongning; Li, Jie; Xu, Fei; Zhao, Jing; Yan, Hong","Selective Catalytic B-H Arylation of o-Carboanyl Aldehydes by a Transient Directing Strategy.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07160","","","0.71073","MoKα","","0.146","0.0612","","","0.1141","0.1408","","","","","","1.028","","","","has coordinates,has disorder","199930","2020-10-21","18:00:00",""
"4126334","19.016","0.0013","13.826","0.001","20.5909","0.001","90","","90","","90","","5413.7","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H34 B20 O -","- C18 H34 B20 O -","- C144 H272 B160 O8 -","8","1","","Zhang, Xiaolei; Zheng, Hongning; Li, Jie; Xu, Fei; Zhao, Jing; Yan, Hong","Selective Catalytic B-H Arylation of o-Carboanyl Aldehydes by a Transient Directing Strategy.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07160","","","0.71073","MoKα","","0.1066","0.0616","","","0.1683","0.191","","","","","","1.052","","","","has coordinates","199930","2020-10-21","18:00:00",""
"4126335","7.392","0.0007","10.1949","0.001","12.291","0.0012","77.528","0.003","85.635","0.004","89.07","0.003","901.78","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H21 B10 N O -","- C15 H21 B10 N O -","- C30 H42 B20 N2 O2 -","2","1","","Zhang, Xiaolei; Zheng, Hongning; Li, Jie; Xu, Fei; Zhao, Jing; Yan, Hong","Selective Catalytic B-H Arylation of o-Carboanyl Aldehydes by a Transient Directing Strategy.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07160","","","0.71073","MoKα","","0.0763","0.0733","","","0.1976","0.1983","","","","","","1.151","","","","has coordinates","199930","2020-10-21","18:00:00",""
"4126336","12.972","0.0006","16.8146","0.0007","16.0817","0.0007","90","","110.453","0.001","90","","3286.6","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 B10 N O P Pd -","- C33 H34 B10 N O P Pd -","- C132 H136 B40 N4 O4 P4 Pd4 -","4","1","","Zhang, Xiaolei; Zheng, Hongning; Li, Jie; Xu, Fei; Zhao, Jing; Yan, Hong","Selective Catalytic B-H Arylation of o-Carboanyl Aldehydes by a Transient Directing Strategy.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07160","","","0.71073","MoKα","","0.064","0.0378","","","0.0774","0.0838","","","","","","1.001","","","","has coordinates","199930","2020-10-21","18:00:00",""
"4126337","9.1358","0.0005","17.7649","0.0009","15.1504","0.0007","90","","98.759","0.002","90","","2430.2","0.2","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H42 Fe N2 -","- C25 H42 Fe N2 -","- C100 H168 Fe4 N8 -","4","1","","Jacobs, Brian P.; Wolczanski, Peter T.; Jiang, Quan; Cundari, Thomas R.; MacMillan, Samantha N.","Rare Examples of Fe(IV) Alkyl-Imide Migratory Insertions: Impact of Fe-C Covalency in (Me2IPr)Fe(=NAd)R2 (R = (neo)Pe, 1-nor).","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06960","","","0.71073","MoKα","","0.0697","0.0427","","","0.0984","0.1114","","","","","","1.028","","","","has coordinates,has disorder","199973","2020-10-21","18:00:00",""
"4126338","15.8086","0.0004","15.8086","0.0004","11.7043","0.0003","90","","90","","90","","2925.04","0.13","100.15","","100.15","","","","","","","","","4","P 41","P 4w","76","","","","- C31 H43 B N4 -","- C31 H43 B N4 -","- C124 H172 B4 N16 -","4","1","","Chen, Wen-Ching; Shih, Wei-Chih; Jurca, Titel; Zhao, Lili; Andrada, Diego M.; Peng, Chun-Jung; Chang, Chun-Chi; Liu, Shu-Kai; Wang, Yi-Ping; Wen, Yuh-Sheng; Yap, Glenn P. A.; Hsu, Chao-Ping; Frenking, Gernot; Ong, Tiow-Gan","Carbodicarbenes: Unexpected π-Accepting Ability during Re-activity with Small Molecules.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08031","","","0.71073","MoKα","","0.0374","0.0328","","","0.0793","0.0833","","","","","","1.0468","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4126339","23.985","0.003","23.985","0.003","89.175","0.018","90","","90","","90","","51301","14","100","2","100","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C96 H239 Br12 K2 O180.5 P2 Ta6 W18 -","- C96 H160 Br12 K1.5 O148 P2 Ta6 W18 -","- C768 H1280 Br96 K12 O1184 P16 Ta48 W144 -","8","1","","Moussawi, Mhamad Aly; Leclerc-Laronze, Nathalie; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim Nailyevich; Cordier, Stephane; Ponchel, Anne; Monflier, Eric; Bricout, Herve; Landy, David; Haouas, Mohamed; Marrot, Jerome; Cadot, Emmanuel","Polyoxometalate, Cationic Cluster and γ-Cyclodextrin. From Primary Interactions to Supramolecular Hybrid Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07317","","","0.72931","synchrotron","","0.1561","0.1025","","","0.2349","0.2802","","","","","","1.012","","","","has coordinates,has disorder","200094","2020-10-21","18:00:00",""
"4126340","21.1963","0.0004","21.1963","0.0004","35.505","0.0017","90","","90","","120","","13814.7","0.8","200","2","200","2","","","","","","","","8","P 3 2 1","P 3 2""","150","","","","- C144 H310 K1.5 Na0.5 O217 P2 Rb4 W18 -","- C144 K0.5 Na0.5 O207.5 P2 Rb3 W18 -","- C288 K Na O415 P4 Rb6 W36 -","2","0.333333","","Moussawi, Mhamad Aly; Leclerc-Laronze, Nathalie; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim Nailyevich; Cordier, Stephane; Ponchel, Anne; Monflier, Eric; Bricout, Herve; Landy, David; Haouas, Mohamed; Marrot, Jerome; Cadot, Emmanuel","Polyoxometalate, Cationic Cluster and γ-Cyclodextrin. From Primary Interactions to Supramolecular Hybrid Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07317","","","0.71073","MoKα","","0.0778","0.0492","","","0.1282","0.1456","","","","","","1.017","","","","has coordinates","200095","2020-10-21","18:00:00",""
"4126341","23.8984","0.0011","23.8984","0.0011","34.8186","0.0019","90","","90","","90","","19886.1","1.7","200","2","200","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C96 H200 Br14 O100 Ta6 -","- C96 H160 Br14 O86 Ta6 -","- C384 H640 Br56 O344 Ta24 -","4","0.25","","Moussawi, Mhamad Aly; Leclerc-Laronze, Nathalie; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim Nailyevich; Cordier, Stephane; Ponchel, Anne; Monflier, Eric; Bricout, Herve; Landy, David; Haouas, Mohamed; Marrot, Jerome; Cadot, Emmanuel","Polyoxometalate, Cationic Cluster and γ-Cyclodextrin. From Primary Interactions to Supramolecular Hybrid Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07317","","","0.71073","MoKα","","0.0997","0.0717","","","0.1883","0.2121","","","","","","1.143","","","","has coordinates,has disorder","200096","2020-10-21","18:00:00",""
"4126342","17.671","0.004","24.533","0.005","40.756","0.008","90","","90","","90","","17669","6","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C48 H116 Cl3.5 K Na8.5 O120 P2 W18 -","- C48 Cl1.5 K Na O106 P2 W18 -","- C192 Cl6 K4 Na4 O424 P8 W72 -","4","1","","Moussawi, Mhamad Aly; Leclerc-Laronze, Nathalie; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim Nailyevich; Cordier, Stephane; Ponchel, Anne; Monflier, Eric; Bricout, Herve; Landy, David; Haouas, Mohamed; Marrot, Jerome; Cadot, Emmanuel","Polyoxometalate, Cationic Cluster and γ-Cyclodextrin. From Primary Interactions to Supramolecular Hybrid Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07317","","","0.72925","synchrotron","","0.1414","0.0973","","","0.2362","0.2925","","","","","","1.032","","","","has coordinates","200097","2020-10-21","18:00:00",""
"4126343","17.2589","0.0016","31.374","0.003","41.297","0.003","90","","90","","90","","22362","3","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C96 H206 Cl1.2 Cs Na6.2 O165 P2 W18 -","- C96 Cl Cs Na3 O151 P2 W18 -","- C384 Cl4 Cs4 Na12 O604 P8 W72 -","4","1","","Moussawi, Mhamad Aly; Leclerc-Laronze, Nathalie; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim Nailyevich; Cordier, Stephane; Ponchel, Anne; Monflier, Eric; Bricout, Herve; Landy, David; Haouas, Mohamed; Marrot, Jerome; Cadot, Emmanuel","Polyoxometalate, Cationic Cluster and γ-Cyclodextrin. From Primary Interactions to Supramolecular Hybrid Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07317","","","0.71073","MoKα","","0.1451","0.1302","","","0.31","0.3181","","","","","","1.109","","","","has coordinates","200098","2020-10-21","18:00:00",""
"4126344","37.987","0.005","40.925","0.005","9.9351","0.0013","90","","90","","90","","15445","3","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C44 H53 N3 P2 Ti -","- C44 H53 N3 P2 Ti -","- C704 H848 N48 P32 Ti16 -","16","1","","Baek, Seung-Yeol; Kurogi, Takashi; Kang, Dahye; Kamitani, Masahiro; Kwon, Seongyeon; Solowey, Douglas; Chen, Chun-Hsing; Pink, Maren; Carroll, Patrick J.; Mindiola, Daniel J.; Baik, Mu-Hyun","Room Temperature Ring-Opening of Quinoline, Isoquinoline and Pyridine with Low-Valent Titanium.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07433","","","0.518","synchrotron","","0.1259","0.0808","","","0.1865","0.2122","","","","","","1.029","","","","has coordinates","200184","2020-10-21","18:00:00",""
"4126345","10.8721","0.0008","22.1655","0.0015","18.1546","0.0013","90","","97.314","0.004","90","","4339.4","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H61 N3 O P2 Ti -","- C44 H53 N3 P2 Ti -","- C176 H212 N12 P8 Ti4 -","4","1","","Baek, Seung-Yeol; Kurogi, Takashi; Kang, Dahye; Kamitani, Masahiro; Kwon, Seongyeon; Solowey, Douglas; Chen, Chun-Hsing; Pink, Maren; Carroll, Patrick J.; Mindiola, Daniel J.; Baik, Mu-Hyun","Room Temperature Ring-Opening of Quinoline, Isoquinoline and Pyridine with Low-Valent Titanium.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07433","","","0.71073","MoKα","","0.1116","0.0525","","","0.1236","0.1504","","","","","","1.008","","","","has coordinates,has disorder","200185","2020-10-21","18:00:00",""
"4126346","16.8988","0.0006","17.6408","0.0005","17.1083","0.0006","90","","118.417","0.002","90","","4485.6","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H65 N3 P2 Ti -","- C36 H49 N3 P2 Ti -","- C144 H196 N12 P8 Ti4 -","4","1","","Baek, Seung-Yeol; Kurogi, Takashi; Kang, Dahye; Kamitani, Masahiro; Kwon, Seongyeon; Solowey, Douglas; Chen, Chun-Hsing; Pink, Maren; Carroll, Patrick J.; Mindiola, Daniel J.; Baik, Mu-Hyun","Room Temperature Ring-Opening of Quinoline, Isoquinoline and Pyridine with Low-Valent Titanium.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07433","","","0.71073","MoKα","","0.0618","0.0494","","","0.1325","0.1394","","","","","","1.078","","","","has coordinates","200186","2020-10-21","18:00:00",""
"4126347","9.136","0.004","21.185","0.009","10.277","0.005","90","","103.143","0.005","90","","1937","1.5","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 Cl5 Cr N3 -","- C10 H26 Cl5 Cr N3 -","- C40 H104 Cl20 Cr4 N12 -","4","1","","Murai, Masahito; Taniguchi, Ryuji; Hosokawa, Naoki; Nishida, Yusuke; Mimachi, Hiroko; Oshiki, Toshiyuki; Takai, Kazuhiko","Structural Characterization and Unique Catalytic Performance of Silyl Group-Substituted Geminal Dichromiomethane Complexes Stabilized with a Diamine Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07487","","","0.71075","MoKα","","0.0707","0.0658","","","0.1064","0.1087","","","","","","1.159","","","","has coordinates","200187","2020-10-21","18:00:00",""
"4126348","11.811","0.002","12.446","0.003","19.352","0.004","90","","95.754","0.01","90","","2830.4","1","273","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 Cu F3 N2 -","- C29 H36 Cu F3 N2 -","- C116 H144 Cu4 F12 N8 -","4","1","","Sakaguchi, Hironobu; Uetake, Yuta; Ohashi, Masato; Niwa, Takashi; Ogoshi, Sensuke; Hosoya, Takamitsu","Copper-Catalyzed Regioselective Monodefluoroborylation of Polyfluoroalkenes En Route to Diverse Fluoroalkenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08343","","","0.71075","MoKα","","0.1252","0.0723","","","0.132","0.1535","","","","","","1.092","","","","has coordinates","200188","2020-10-21","18:00:00",""
"4126349","12.0514","0.0001","7.8496","0.0001","20.9052","0.0002","90","","104.875","0.001","90","","1911.33","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C104 H92 N4 O8 -","4","1","","Halabi, Elias A.; Thiel, Zacharias; Trapp, Nils; Pinotsi, Dorothea; Rivera-Fuentes, Pablo","A Photoactivatable Probe for Super-Resolution Imaging of Enzymatic Activity in Live Cells.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07748","","x-ray","1.54184","CuKα","","0.0522","0.0467","","","0.1357","0.1407","","","","","","1.071","","","","has coordinates","200227","2020-10-21","18:00:00",""
"4126350","8.296","0.0001","16.6872","0.0001","33.1607","0.0003","90","","90","","90","","4590.67","0.07","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H23 N3 O4 -","- C29 H23 N3 O4 -","- C232 H184 N24 O32 -","8","1","","Halabi, Elias A.; Thiel, Zacharias; Trapp, Nils; Pinotsi, Dorothea; Rivera-Fuentes, Pablo","A Photoactivatable Probe for Super-Resolution Imaging of Enzymatic Activity in Live Cells.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07748","","x-ray","1.54184","CuKα","","0.0625","0.0548","","","0.1415","0.1469","","","","","","1.075","","","","has coordinates,has disorder","200228","2020-10-21","18:00:00",""
"4126351","10.0761","0.0001","11.0325","0.0001","12.3888","0.0001","66.273","0.001","88.093","0.001","64.57","0.001","1122.3","0.02","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H23 N3 O4 -","- C29 H23 N3 O4 -","- C58 H46 N6 O8 -","2","1","","Halabi, Elias A.; Thiel, Zacharias; Trapp, Nils; Pinotsi, Dorothea; Rivera-Fuentes, Pablo","A Photoactivatable Probe for Super-Resolution Imaging of Enzymatic Activity in Live Cells.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07748","","x-ray","1.54184","CuKα","","0.0571","0.0521","","","0.1444","0.1486","","","","","","1.046","","","","has coordinates,has disorder","200229","2020-10-21","18:00:00",""
"4126352","14.2012","0.0008","10.1164","0.0005","13.3572","0.0007","90","","94.624","0.003","90","","1912.72","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SK-V-166","","","- C19 H23 N3 O6 -","- C19 H23 N3 O6 -","- C76 H92 N12 O24 -","4","1","","Shen, Kun; Wang, Qiu","Copper-Catalyzed Alkene Aminoazidation as a Rapid Entry to 1,2-Diamines and Installation of an Azide Reporter onto Azahetereocycles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06852","","","0.71073","MoKα","","0.0696","0.0431","","","0.1007","0.1143","","","","","","1.043","","","","has coordinates","200230","2020-10-21","18:00:00",""
"4126353","5.7744","0.0001","34.6741","0.0008","7.5977","0.0002","90","","105.792","0.0013","90","","1463.81","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","sk-IV-191","","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C64 H72 N16 O8 -","4","1","","Shen, Kun; Wang, Qiu","Copper-Catalyzed Alkene Aminoazidation as a Rapid Entry to 1,2-Diamines and Installation of an Azide Reporter onto Azahetereocycles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06852","","","0.71073","MoKα","","0.0696","0.0534","","","0.1232","0.1307","","","","","","1.099","","","","has coordinates,has disorder","200231","2020-10-21","18:00:00",""
"4126354","16.6582","0.0011","11.872","0.0008","10.1303","0.0006","90","","107.307","0.003","90","","1912.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","sk-V-148","","","- C19 H28 N2 O4 -","- C19 H28 N2 O4 -","- C76 H112 N8 O16 -","4","1","","Shen, Kun; Wang, Qiu","Copper-Catalyzed Alkene Aminoazidation as a Rapid Entry to 1,2-Diamines and Installation of an Azide Reporter onto Azahetereocycles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06852","","","0.71073","MoKα","","0.0535","0.0384","","","0.1","0.1102","","","","","","1.026","","","","has coordinates","200232","2020-10-21","18:00:00",""
"4126355","27.279","0.0008","27.279","0.0008","84.656","0.005","90","","90","","120","","54556","4","295.01","0.1","295.01","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C408 H384 Cl18 N72 Nd8 O120 -","- C408 H384 Cl18 N72 Nd8 O120 -","- C1224 H1152 Cl54 N216 Nd24 O360 -","3","0.166667","","Li, Xiao-Zhen; Zhou, Li-Peng; Yan, Liang-Liang; Yuan, Da-Qiang; Lin, Chen-Sheng; Sun, Qing-Fu","Evolution of Luminescent Supramolecular Lanthanide M2nL3n Complexes from Helicates and Tetrahedra to Cubes.","Journal of the American Chemical Society","2017","139","24","8237","8244","10.1021/jacs.7b02764","","x-ray","1.54184","CuKα","","0.2032","0.114","","","0.3177","0.4103","","","","","","0.97","","","","has coordinates","200234","2020-10-21","18:00:00",""
"4126356","14.414","0.0005","5.522","0.0002","28.116","0.0014","90","","113.245","0.0014","90","","2056.21","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Marek108 (Fa-Guang)","","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C92 H100 N4 O16 -","4","1","","Zhang, Fa-Guang; Marek, Ilan","Brook Rearrangement as Trigger for Carbene Generation: Synthesis of Stereodefined and Fully Substituted Cyclobutenes.","Journal of the American Chemical Society","2017","139","24","8364","8370","10.1021/jacs.7b04255","","","0.71073","MoKα","","0.141","0.1236","","","0.3569","0.3688","","","","","","1.151","","","","has coordinates","200235","2020-10-21","18:00:00",""
"4126357","19.4525","0.0006","19.4525","0.0006","11.7848","0.0002","90","","90","","120","","3861.92","0.18","93","","93","","","","","","","","","5","P 63","P 6c","173","","","","- C21 H23 Cl2 N3 O3 -","- C21 H23 Cl2 N3 O3 -","- C126 H138 Cl12 N18 O18 -","6","1","","Sun, Bo; Balaji, Pandur Venkatesan; Kumagai, Naoya; Shibasaki, Masakatsu","α-Halo Amides as Competent Latent Enolates: Direct Catalytic Asymmetric Mannich-Type Reaction.","Journal of the American Chemical Society","2017","139","24","8295","8301","10.1021/jacs.7b03291","","","1.54187","CuKα","","0.0533","0.0478","","","0.1121","0.1156","","","","","","1.021","","","","has coordinates","200236","2020-10-21","18:00:00",""
"4126358","11.3109","0.0002","16.8486","0.0003","21.942","0.0004","90","","90","","90","","4181.55","0.13","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 Cl N3 O3 -","- C21 H30 Cl N3 O3 -","- C168 H240 Cl8 N24 O24 -","8","2","","Sun, Bo; Balaji, Pandur Venkatesan; Kumagai, Naoya; Shibasaki, Masakatsu","α-Halo Amides as Competent Latent Enolates: Direct Catalytic Asymmetric Mannich-Type Reaction.","Journal of the American Chemical Society","2017","139","24","8295","8301","10.1021/jacs.7b03291","","","1.54187","CuKα","","0.0759","0.0661","","","0.1236","0.1309","","","","","","1.067","","","","has coordinates","200237","2020-10-21","18:00:00",""
"4126359","14.5285","0.0004","14.8368","0.0004","14.9997","0.0005","100.432","0.003","104.367","0.003","92.736","0.002","3065.79","0.17","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H80 B2 Fe N10 O8 -","- C62 H80 B2 Fe N10 O8 -","- C124 H160 B4 Fe2 N20 O16 -","2","1","","Cecot, Giacomo; Marmier, Mathieu; Geremia, Silvano; De Zorzi, Rita; Vologzhanina, Anna V.; Pattison, Philip; Solari, Euro; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","The Intricate Structural Chemistry of M(II)2nLn-Type Assemblies.","Journal of the American Chemical Society","2017","139","24","8371","8381","10.1021/jacs.7b04861","","x-ray","1.54184","CuKα","","0.063","0.0528","","","0.1353","0.1458","","","","","","1.023","","","","has coordinates,has disorder","200238","2020-10-21","18:00:00",""
"4126360","29.342","0.003","31.461","0.003","42.629","0.002","88.248","0.006","70.021","0.007","69.405","0.008","34440","6","140","0.1","140","2","","","","","","","","10","P -1","-P 1","2","","","","- C510 H582 B8 F30 Fe4 N42 O54 P16 Pt8 S10 -","- C509.6 H581 B8 F28.8 Fe4 N42 O52.8 P16 Pt8 S9.6 -","- C1019.2 H1162 B16 F57.6 Fe8 N84 O105.6 P32 Pt16 S19.2 -","2","1","","Cecot, Giacomo; Marmier, Mathieu; Geremia, Silvano; De Zorzi, Rita; Vologzhanina, Anna V.; Pattison, Philip; Solari, Euro; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","The Intricate Structural Chemistry of M(II)2nLn-Type Assemblies.","Journal of the American Chemical Society","2017","139","24","8371","8381","10.1021/jacs.7b04861","","","1.54178","CuKα","","0.1684","0.123","","","0.3154","0.3573","","","","","","1.139","","","","has coordinates","200239","2020-10-21","18:00:00",""
"4126361","47.92","0.01","47.92","0.01","37.29","0.01","90","","90","","90","","85630","3","100","2","100","2","","","","","","","","10","P 42 n m","P 4n -2n","102","","","","- C430 H412 B8 F48 Fe4 N40 O72 P16 Pt8 S16 -","- C430 H412 B8 F48 Fe4 N40 O72 P16 Pt8 S16 -","- C1720 H1648 B32 F192 Fe16 N160 O288 P64 Pt32 S64 -","4","0.5","","Cecot, Giacomo; Marmier, Mathieu; Geremia, Silvano; De Zorzi, Rita; Vologzhanina, Anna V.; Pattison, Philip; Solari, Euro; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","The Intricate Structural Chemistry of M(II)2nLn-Type Assemblies.","Journal of the American Chemical Society","2017","139","24","8371","8381","10.1021/jacs.7b04861","","","0.6971","","","0.1189","0.0948","","","0.2387","0.2617","","","","","","1.057","","","","has coordinates","200240","2020-10-21","18:00:00",""
"4126362","22.9158","0.0003","23.8401","0.0003","34.0163","0.0004","69.7864","0.0011","70.5451","0.0011","88.877","0.0009","16347.3","0.4","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C144 H142 B4 N21 O18 Zn4 -","- C144 H142 B4 N21 O18 Zn4 -","- C576 H568 B16 N84 O72 Zn16 -","4","2","","Cecot, Giacomo; Marmier, Mathieu; Geremia, Silvano; De Zorzi, Rita; Vologzhanina, Anna V.; Pattison, Philip; Solari, Euro; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","The Intricate Structural Chemistry of M(II)2nLn-Type Assemblies.","Journal of the American Chemical Society","2017","139","24","8371","8381","10.1021/jacs.7b04861","","x-ray","1.54184","CuKα","","0.0654","0.057","","","0.1563","0.1636","","","","","","1.038","","","","has coordinates,has disorder","200241","2020-10-21","18:00:00",""
"4126363","39.819","0.005","39.819","0.005","39.819","0.005","90","","90","","90","","63135","14","243","2","243","2","","","","","","","","5","P n -3 n","-P 4a 2bc 3","222","","","","- C600 H660 N54 O24 Zn6 -","- C600 H660 N54 O24 Zn6 -","- C1200 H1320 N108 O48 Zn12 -","2","","","Benke, Bahiru Punja; Aich, Pulakesh; Kim, Younghoon; Kim, Kyung Lock; Rohman, Md Rumum; Hong, Soonsang; Hwang, In-Chul; Lee, Eun Hui; Roh, Joon Ho; Kim, Kimoon","Iodide-Selective Synthetic Ion Channels Based on Shape-Persistent Organic Cages.","Journal of the American Chemical Society","2017","139","22","7432","7435","10.1021/jacs.7b02708","","","0.9","synchrotron","","0.1784","0.14","","","0.3715","0.4396","","","","","","1.548","","","","has coordinates,has disorder","200242","2020-10-21","18:00:00",""
"4126364","19.8599","0.0003","19.8599","0.0003","19.8599","0.0003","90","","90","","90","","7833.1","0.2","20","2","20","2","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","Tri(3,5-di-tert-butylphenyl)methane","","- C43 H64 -","- C43 H64 -","- C344 H512 -","8","0.666667","","Rösel, Sören; Quanz, Henrik; Logemann, Christian; Becker, Jonathan; Mossou, Estelle; Cañadillas-Delgado, Laura; Caldeweyher, Eike; Grimme, Stefan; Schreiner, Peter R.","London Dispersion Enables the Shortest Intermolecular Hydrocarbon H···H Contact.","Journal of the American Chemical Society","2017","139","22","7428","7431","10.1021/jacs.7b01879","","","1.1702","neutron","","0.0323","0.031","","","0.0659","0.0666","","","","","","1.144","","","","has coordinates","200243","2020-10-21","18:00:00",""
"4126365","7.6083","0.0002","24.5638","0.0006","14.4862","0.0004","90","","102.522","0.001","90","","2642.91","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Me2NNF6]Cu-C6F5","","- C27 H19 Cu F11 N2 -","- C27 H19 Cu F11 N2 -","- C108 H76 Cu4 F44 N8 -","4","1","","Kundu, Subrata; Greene, Christine; Williams, Kamille D.; Salvador, Tolani K.; Bertke, Jeffery A.; Cundari, Thomas R.; Warren, Timothy H.","Three-Coordinate Copper(II) Aryls: Key Intermediates in C-O Bond Formation.","Journal of the American Chemical Society","2017","139","27","9112","9115","10.1021/jacs.7b04046","","","0.71073","MoKα","","0.0388","0.0281","","","0.0744","0.0778","","","","","","1.067","","","","has coordinates","200244","2020-10-21","18:00:00",""
"4126366","5.96113","0.00009","18.7722","0.0003","14.4957","0.0002","90","","100.51","0.0008","90","","1594.9","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C76 H68 N12 O8 -","4","1","","Qian, Hai; Pramanik, Susnata; Aprahamian, Ivan","Photochromic Hydrazone Switches with Extremely Long Thermal Half-Lives.","Journal of the American Chemical Society","2017","139","27","9140","9143","10.1021/jacs.7b04993","","","1.54178","CuKα","","0.0436","0.0357","","","0.0894","0.0951","","","","","","1.032","","","","has coordinates","200245","2020-10-21","18:00:00",""
"4126367","9.9152","0.0012","11.9825","0.0014","14.1511","0.0017","92.263","0.003","107.127","0.003","91.127","0.003","1604.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H47 Ir P2 -","- C36 H47 Ir P2 -","- C72 H94 Ir2 P4 -","2","1","","Wilklow-Marnell, Miles; Li, Bo; Zhou, Tian; Krogh-Jespersen, Karsten; Brennessel, William W.; Emge, Thomas J.; Goldman, Alan S.; Jones, William D.","Catalytic Dehydrogenative C-C Coupling by a Pincer-Ligated Iridium Complex.","Journal of the American Chemical Society","2017","139","26","8977","8989","10.1021/jacs.7b03433","","","0.71073","MoKα","","0.074","0.0612","","","0.1449","0.1516","","","","","","1.039","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4126368","6.0729","0.0003","8.3117","0.0005","30.5846","0.0017","90","","90","","90","","1543.79","0.15","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Bartlett, Samuel L.; Sohtome, Yoshihiro; Hashizume, Daisuke; White, Peter S.; Sawamura, Miki; Johnson, Jeffrey S.; Sodeoka, Mikiko","Catalytic Enantioselective [3 + 2] Cycloaddition of α-Keto Ester Enolates and Nitrile Oxides.","Journal of the American Chemical Society","2017","139","25","8661","8666","10.1021/jacs.7b03782","","","1.54178","CuKα","","0.0323","0.032","","","0.0833","0.0835","","","","","","1.085","","","","has coordinates","200247","2020-10-21","18:00:00",""
"4126369","9.011","0.0009","10.8873","0.0011","17.883","0.002","98.641","0.008","90.004","0.008","112.949","0.007","1593.9","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H42 B F2 N6 O3 -","- C32.8 H39.8 B F2 N6 O3 -","- C65.6 H79.6 B2 F4 N12 O6 -","2","1","","Wang, Zhijia; Zhao, Jianzhang; Barbon, Antonio; Toffoletti, Antonio; Liu, Yan; An, Yonglin; Xu, Liang; Karatay, Ahmet; Yaglioglu, Halime Gul; Yildiz, Elif Akhüseyin; Hayvali, Mustafa","Radical-Enhanced Intersystem Crossing in New Bodipy Derivatives and Application for Efficient Triplet-Triplet Annihilation Upconversion.","Journal of the American Chemical Society","2017","139","23","7831","7842","10.1021/jacs.7b02063","","","0.71073","MoKα","","0.1389","0.0755","","","0.2102","0.246","","","","","","1.001","","","","has coordinates","200248","2020-10-21","18:00:00",""
"4126370","10.092","0.004","19.277","0.008","15.171","0.006","90","","90","","90","","2951","2","100","2","100","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C20 H16 F6 N4 O6 S2 Si Zn -","- C20 H16 F6 N4 O6 S2 Si Zn -","- C80 H64 F24 N16 O24 S8 Si4 Zn4 -","4","0.25","","Lin, Rui-Biao; Li, Libo; Wu, Hui; Arman, Hadi; Li, Bin; Lin, Rong-Guang; Zhou, Wei; Chen, Banglin","Optimized Separation of Acetylene from Carbon Dioxide and Ethylene in a Microporous Material.","Journal of the American Chemical Society","2017","139","23","8022","8028","10.1021/jacs.7b03850","","","0.71073","MoKα","","0.0969","0.0891","","","0.2062","0.2116","","","","","","1.167","","","","has coordinates,has disorder","200249","2020-10-21","18:00:00",""
"4126371","30.22","0.002","30.22","0.002","34.323","0.006","90","","90","","90","","31345","6","173","2","173","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C40 H20 Cu9 N20 O24 Zn6 -","- C40 H20 Cu9 N20 O24 Zn6 -","- C320 H160 Cu72 N160 O192 Zn48 -","8","0.5","","Tu, Binbin; Pang, Qingqing; Xu, Huoshu; Li, Xiaomin; Wang, Yulin; Ma, Zhen; Weng, Linhong; Li, Qiaowei","Reversible Redox Activity in Multicomponent Metal-Organic Frameworks Constructed from Trinuclear Copper Pyrazolate Building Blocks.","Journal of the American Chemical Society","2017","139","23","7998","8007","10.1021/jacs.7b03578","","","1.54178","CuKα","","0.1107","0.0881","","","0.2128","0.2247","","","","","","1.468","","","","has coordinates","200250","2020-10-21","18:00:00",""
"4126372","27.499","0.005","14.9307","0.0027","16.565","0.004","90","","110.55","0.012","90","","6368","2","297","","297","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24.19 H16 Cu D2.92 F6 N4 O6 S2 -","- C24.196 H16 Cu D2.928 F6 N4 O6 S2 -","- C193.568 H128 Cu8 D23.424 F48 N32 O48 S16 -","8","1","","Li, Libo; Lin, Rui-Biao; Krishna, Rajamani; Wang, Xiaoqing; Li, Bin; Wu, Hui; Li, Jinping; Zhou, Wei; Chen, Banglin","Flexible-Robust Metal-Organic Framework for Efficient Removal of Propyne from Propylene.","Journal of the American Chemical Society","2017","139","23","7733","7736","10.1021/jacs.7b04268","powder diffraction","neutron","2.0775","","","","","","","","","0.22463","","1.25","","","","","","","has coordinates","200251","2020-10-21","18:00:00",""
"4126373","11.2332","0.0015","13.4974","0.0018","13.5685","0.0018","99.429","0.003","103.897","0.002","101.439","0.002","1908.4","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","cmh_sp_1027","","","- C70 H68 Au2 Cl2 F12 N6 O2 -","- C70 H68 Au2 Cl2 F12 N6 O2 -","- C70 H68 Au2 Cl2 F12 N6 O2 -","1","1","","Niemeyer, Zachary L.; Pindi, Suresh; Khrakovsky, Dimitri A.; Kuzniewski, Christian N.; Hong, Cynthia M.; Joyce, Leo A.; Sigman, Matthew S.; Toste, F. Dean","Parameterization of Acyclic Diaminocarbene Ligands Applied to a Gold(I)-Catalyzed Enantioselective Tandem Rearrangement/Cyclization","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08791","","","0.71073","MoKα","","0.0477","0.0462","","","0.1116","0.1129","","","","","","1.07","","","","has coordinates","200370","2020-10-21","18:00:00",""
"4126374","7.3367","0.0007","12.348","0.0012","8.6496","0.0009","90","","105.847","0.001","90","","753.82","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 F3 N2 O -","- C7 H5 F3 N2 O -","- C28 H20 F12 N8 O4 -","4","1","","Khaled, Mohammad B.; El Mokadem, Roukaya K.; Weaver, Jimmie D.","Hydrogen Bond Directed Photocatalytic Hydrodefluorination; Overcoming Electronic Control.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06847","","","0.71073","MoKα","","0.0514","0.04","","","0.104","0.1124","","","","","","1.056","","","","has coordinates","200371","2020-10-21","18:00:00",""
"4126375","10.8602","0.0012","49.701","0.006","9.533","0.0011","90","","114.508","0.002","90","","4682","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C62 H54 O4 -","- C62 H54 O4 -","- C248 H216 O16 -","4","1","","Yang, Wenlong; Longhi, Giovanna; Abbate, Sergio; Lucotti, Andrea; Tommasini, Matteo; Villani, Claudio; Catalano, Vincent J.; Lykhin, Aleksandr O.; Varganov, Sergey A.; Chalifoux, Wesley A.","Chiral Peropyrene: Synthesis, Structure, and Properties.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06848","","","0.71073","MoKα","","0.2106","0.1696","","","0.4202","0.4468","","","","","","1.607","","","","has coordinates","200372","2020-10-21","18:00:00",""
"4126376","35.077","0.002","8.5903","0.0006","24.2885","0.0016","90","","106.593","0.001","90","","7013.9","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","8b","","","- C41.39 H45.39 Cl1.17 O2 -","- C41.393 H45.393 Cl1.179 O2 -","- C331.144 H363.144 Cl9.432 O16 -","8","1","","Yang, Wenlong; Longhi, Giovanna; Abbate, Sergio; Lucotti, Andrea; Tommasini, Matteo; Villani, Claudio; Catalano, Vincent J.; Lykhin, Aleksandr O.; Varganov, Sergey A.; Chalifoux, Wesley A.","Chiral Peropyrene: Synthesis, Structure, and Properties.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06848","","","0.71073","MoKα","","0.099","0.0677","","","0.1417","0.1525","","","","","","1.051","","","","has coordinates,has disorder","200373","2020-10-21","18:00:00",""
"4126377","13.6105","0.0018","14.975","0.002","15.35","0.002","96.317","0.002","109.352","0.002","116.97","0.002","2501.6","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C62 H54 O4 -","- C62 H54 O4 -","- C124 H108 O8 -","2","1","","Yang, Wenlong; Longhi, Giovanna; Abbate, Sergio; Lucotti, Andrea; Tommasini, Matteo; Villani, Claudio; Catalano, Vincent J.; Lykhin, Aleksandr O.; Varganov, Sergey A.; Chalifoux, Wesley A.","Chiral Peropyrene: Synthesis, Structure, and Properties.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06848","","","0.71073","MoKα","","0.0951","0.0526","","","0.131","0.1439","","","","","","1.061","","","","has coordinates","200374","2020-10-21","18:00:00",""
"4126378","14.8264","0.0017","10.4299","0.001","9.5439","0.0005","90","","93.909","0.008","90","","1472.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H92 N4 O4 -","- C60 H92 N4 O4 -","- C60 H92 N4 O4 -","1","0.25","","Qian, Bo; Chen, Shaowei; Wang, Ting; Zhang, Xinhao; Bao, Hongli","Iron-Catalyzed Carboamination of Olefins: Synthesis of Amines and Disubstituted β-Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06590","","","1.54178","CuKα","","0.0932","0.0674","","","0.1871","0.222","","","","","","1.023","","","","has coordinates","200375","2020-10-21","18:00:00",""
"4126379","8.12","0.0008","41.543","0.004","9.1244","0.0007","90","","113.735","0.01","90","","2817.6","0.5","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 Cl F N O3 -","- C23 H35 Cl F N O3 -","- C92 H140 Cl4 F4 N4 O12 -","4","1","","Qian, Bo; Chen, Shaowei; Wang, Ting; Zhang, Xinhao; Bao, Hongli","Iron-Catalyzed Carboamination of Olefins: Synthesis of Amines and Disubstituted β-Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06590","","","1.54184","CuKα","","0.1511","0.1152","","","0.2845","0.312","","","","","","1.047","","","","has coordinates","200376","2020-10-21","18:00:00",""
"4126380","11.65604","0.00017","24.1742","0.0004","24.0038","0.0004","90","","100.479","0.0015","90","","6650.88","0.19","197.7","0.6","197.7","0.6","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C76 H63 B Cl2 F4 O4 Os P3 S2 -","- C76 H62 B Cl2 F4 O4 Os P3 S2 -","- C304 H248 B4 Cl8 F16 O16 Os4 P12 S8 -","4","1","","Li, Ruihao; Lu, Zhengyu; Cai, Yuanting; Jiang, Feng; Tang, Chun; Chen, Zhixin; Zheng, Jueting; Pi, Jiuchan; Zhang, Rui; Liu, Junyang; Chen, Zhao-Bin; Yang, Yang; Shi, Jia; Hong, Wenjing; Xia, Haiping","Switching of Charge Transport Pathways via Delocalization Changes in Single-molecule Metallacycles Junctions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06400","","","1.54184","CuKα","","0.0367","0.0309","","","0.0718","0.0758","","","","","","1.045","","","","has coordinates,has disorder","200789","2020-10-21","18:00:00",""
"4126381","15.7051","0.0002","18.7402","0.0002","24.236","0.0003","90","","103.705","0.001","90","","6929.97","0.15","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H84 O13 Os P2 S2 -","- C77 H84 O13 Os P2 S2 -","- C308 H336 O52 Os4 P8 S8 -","4","1","","Li, Ruihao; Lu, Zhengyu; Cai, Yuanting; Jiang, Feng; Tang, Chun; Chen, Zhixin; Zheng, Jueting; Pi, Jiuchan; Zhang, Rui; Liu, Junyang; Chen, Zhao-Bin; Yang, Yang; Shi, Jia; Hong, Wenjing; Xia, Haiping","Switching of Charge Transport Pathways via Delocalization Changes in Single-molecule Metallacycles Junctions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06400","","x-ray","1.54184","CuKα","","0.0453","0.0435","","","0.1146","0.1165","","","","","","1.024","","","","has coordinates","200789","2020-10-21","18:00:00",""
"4126382","26.5713","0.0018","12.6213","0.0005","23.1715","0.0017","90","","109.741","0.008","90","","7314.2","0.9","180","0.14","180","0.14","","","","","","","","10","C 1 c 1","C -2yc","9","","","","- C83 H71 B Cl2 F4 N O3 Os P3 S2 -","- C83 H71 B Cl2 F4 N O3 Os P3 S2 -","- C332 H284 B4 Cl8 F16 N4 O12 Os4 P12 S8 -","4","1","","Li, Ruihao; Lu, Zhengyu; Cai, Yuanting; Jiang, Feng; Tang, Chun; Chen, Zhixin; Zheng, Jueting; Pi, Jiuchan; Zhang, Rui; Liu, Junyang; Chen, Zhao-Bin; Yang, Yang; Shi, Jia; Hong, Wenjing; Xia, Haiping","Switching of Charge Transport Pathways via Delocalization Changes in Single-molecule Metallacycles Junctions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06400","","x-ray","1.54184","CuKα","","0.0487","0.0414","","","0.0929","0.1026","","","","","","1.053","","","","has coordinates,has disorder","200789","2020-10-21","18:00:00",""
"4126383","13.3417","0.0004","32.0611","0.0009","14.8262","0.0004","90","","94.825","0.001","90","","6319.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","mg086_02","","","- C66 H80 B2 N8 P2 Th -","- C66 H80 B2 N8 P2 Th -","- C264 H320 B8 N32 P8 Th4 -","4","1","","Garner, Mary E.; Parker, Bernard F.; Hohloch, Stephan; Bergman, Robert G.; Arnold, John","Thorium Metallacycle Facilitates Catalytic Alkyne Hydrophosphination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08323","","","0.71073","MoKα","","0.0309","0.0242","","","0.0535","0.0561","","","","","","1.05","","","","has coordinates","200790","2020-10-21","18:00:00",""
"4126384","16.5408","0.0009","21.4027","0.0011","17.8812","0.001","90","","94.381","0.003","90","","6311.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","mg089","","","- C71 H77 B2 N8 P Th -","- C71 H77 B2 N8 P Th -","- C284 H308 B8 N32 P4 Th4 -","4","1","","Garner, Mary E.; Parker, Bernard F.; Hohloch, Stephan; Bergman, Robert G.; Arnold, John","Thorium Metallacycle Facilitates Catalytic Alkyne Hydrophosphination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08323","","","0.71073","MoKα","","0.0495","0.0348","","","0.0754","0.0818","","","","","","1.064","","","","has coordinates","200790","2020-10-21","18:00:00",""
"4126385","11.7452","0.0004","24.2338","0.0008","23.341","0.0008","90","","95.961","0.002","90","","6607.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","mg080","","","- C71 H82 B2 N8 Th -","- C71 H82 B2 N8 Th -","- C284 H328 B8 N32 Th4 -","4","1","","Garner, Mary E.; Parker, Bernard F.; Hohloch, Stephan; Bergman, Robert G.; Arnold, John","Thorium Metallacycle Facilitates Catalytic Alkyne Hydrophosphination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08323","","","0.71073","MoKα","","0.0643","0.0418","","","0.0838","0.091","","","","","","1.06","","","","has coordinates","200790","2020-10-21","18:00:00",""
"4126386","15.5152","0.0006","21.5636","0.0008","22.0605","0.0007","90","","90","","90","","7380.6","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","mg081","","","- C83 H91 B2 N8 P Th -","- C83 H91 B2 N8 P Th -","- C332 H364 B8 N32 P4 Th4 -","4","1","","Garner, Mary E.; Parker, Bernard F.; Hohloch, Stephan; Bergman, Robert G.; Arnold, John","Thorium Metallacycle Facilitates Catalytic Alkyne Hydrophosphination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08323","","","0.71073","MoKα","","0.0552","0.0441","","","0.0933","0.0985","","","","","","1.016","","","","has coordinates","200790","2020-10-21","18:00:00",""
"4126387","13.6367","0.0014","18.701","0.0019","21.446","0.002","90","","102.005","0.004","90","","5349.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","mg092","","","- C60 H65 B2 N8 P Th -","- C60 H65 B2 N8 P Th -","- C240 H260 B8 N32 P4 Th4 -","4","1","","Garner, Mary E.; Parker, Bernard F.; Hohloch, Stephan; Bergman, Robert G.; Arnold, John","Thorium Metallacycle Facilitates Catalytic Alkyne Hydrophosphination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08323","","","0.71073","MoKα","","0.0338","0.0284","","","0.0596","0.0632","","","","","","1.099","","","","has coordinates","200790","2020-10-21","18:00:00",""
"4126388","13.5531","0.0002","24.8195","0.0003","14.3136","0.0001","90","","99.405","0.001","90","","4750.1","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H68 N4 O2 Si2 -","- C49 H68 N4 O2 Si2 -","- C196 H272 N16 O8 Si8 -","4","1","","Wang, Yuwen; Kostenko, Arseni; Yao, Shenglai; Driess, Matthias","Divalent Silicon-Assisted Activation of Dihydrogen in a Bis(N-heterocyclic silylene)xanthene Nickel(0) Complex for Efficient Catalytic Hydrogenation of Olefins.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07167","","","1.54184","CuKα","","0.0714","0.0613","","","0.1564","0.1671","","","","","","1.056","","","","has coordinates","200845","2020-10-21","18:00:00",""
"4126389","17.1482","0.0007","12.2586","0.0005","25.667","0.0008","90","","104.576","0.004","90","","5221.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H70 N4 Ni O Si2 -","- C53 H70 N4 Ni O Si2 -","- C212 H280 N16 Ni4 O4 Si8 -","4","1","","Wang, Yuwen; Kostenko, Arseni; Yao, Shenglai; Driess, Matthias","Divalent Silicon-Assisted Activation of Dihydrogen in a Bis(N-heterocyclic silylene)xanthene Nickel(0) Complex for Efficient Catalytic Hydrogenation of Olefins.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07167","","","1.54184","CuKα","","0.1062","0.0629","","","0.1516","0.1764","","","","","","0.943","","","","has coordinates,has disorder","200845","2020-10-21","18:00:00",""
"4126390","11.223","0.0003","12.2612","0.0003","20.79","0.0007","103.26","0.003","100.102","0.002","105.877","0.002","2590.25","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H76 N4 Ni O P2 Si2 -","- C51 H76 N4 Ni O P2 Si2 -","- C102 H152 N8 Ni2 O2 P4 Si4 -","2","1","","Wang, Yuwen; Kostenko, Arseni; Yao, Shenglai; Driess, Matthias","Divalent Silicon-Assisted Activation of Dihydrogen in a Bis(N-heterocyclic silylene)xanthene Nickel(0) Complex for Efficient Catalytic Hydrogenation of Olefins.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07167","","","1.54184","CuKα","","0.0341","0.0308","","","0.0797","0.0823","","","","","","1.037","","","","has coordinates","200845","2020-10-21","18:00:00",""
"4126391","17.968","0.0003","27.3289","0.0005","18.9168","0.0004","90","","101.422","0.002","90","","9105","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H118 N8 Ni2 O3 Si4 -","- C94 H118 N8 Ni2 O3 Si4 -","- C376 H472 N32 Ni8 O12 Si16 -","4","1","","Wang, Yuwen; Kostenko, Arseni; Yao, Shenglai; Driess, Matthias","Divalent Silicon-Assisted Activation of Dihydrogen in a Bis(N-heterocyclic silylene)xanthene Nickel(0) Complex for Efficient Catalytic Hydrogenation of Olefins.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07167","","","1.54184","CuKα","","0.1155","0.0608","","","0.1325","0.1639","","","","","","1.021","","","","has coordinates","200845","2020-10-21","18:00:00",""
"4126392","22.837","0.0003","9.7903","0.0001","22.3703","0.0003","90","","104.045","0.001","90","","4852.06","0.11","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H69 N4 Ni O P Si2 -","- C48 H69 N4 Ni O P Si2 -","- C192 H276 N16 Ni4 O4 P4 Si8 -","4","1","","Wang, Yuwen; Kostenko, Arseni; Yao, Shenglai; Driess, Matthias","Divalent Silicon-Assisted Activation of Dihydrogen in a Bis(N-heterocyclic silylene)xanthene Nickel(0) Complex for Efficient Catalytic Hydrogenation of Olefins.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07167","","","1.54184","CuKα","","0.0617","0.0492","","","0.1301","0.1399","","","","","","1.044","","","","has coordinates,has disorder","200845","2020-10-21","18:00:00",""
"4126393","24.2966","0.0002","24.2966","0.0002","18.34987","0.00019","90","","90","","120","","9381.12","0.15","110","2","110","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H36 Cl2 Cu2 N10 O10 -","- C36 H36 Cl1.9988 Cu2 N10 O9.9952 -","- C324 H324 Cl17.9892 Cu18 N90 O89.9568 -","9","0.5","","Wijeratne, Gayan B.; Hematian, Shabnam; Siegler, Maxime A.; Karlin, Kenneth D.","Copper(I)/NO(g) Reductive Coupling Producing a trans-Hyponitrite Bridged Dicopper(II) Complex: Redox Reversal Giving Copper(I)/NO(g) Disproportionation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07808","","","1.54178","CuKα","","0.0401","0.0379","","","0.1127","0.1154","","","","","","1.037","","","","has coordinates,has disorder","200846","2020-10-21","18:00:00",""
"4126394","23.1961","0.0004","19.203","0.0004","13.8123","0.0003","90","","90","","90","","6152.5","0.2","296","2","296","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C32 H56 B11 Br N4 Si2 -","- C32 H56 B11 Br N4 Si2 -","- C128 H224 B44 Br4 N16 Si8 -","4","0.25","","Wang, Hao; Wu, Linlin; Lin, Zhenyang; Xie, Zuowei","Synthesis, Structure and Reactivity of a Borylene Cation [(NHSi)2B(CO)]+ Stabilized by Three Neutral Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08667","","","0.71073","MoKα","","0.065","0.0504","","","0.1456","0.1534","","","","","","1.058","","","","has coordinates","200847","2020-10-21","18:00:00",""
"4126395","11.775","0.01","13.978","0.013","16.944","0.016","86.78","0.03","76.37","0.03","69.91","0.02","2544","4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H58 B11 Br N4 O5 Si2 W -","- C37 H58 B11 Br N4 O5 Si2 W -","- C74 H116 B22 Br2 N8 O10 Si4 W2 -","2","1","","Wang, Hao; Wu, Linlin; Lin, Zhenyang; Xie, Zuowei","Synthesis, Structure and Reactivity of a Borylene Cation [(NHSi)2B(CO)]+ Stabilized by Three Neutral Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08667","","","0.71073","MoKα","","0.0447","0.0367","","","0.086","0.0909","","","","","","1.039","","","","has coordinates","200848","2020-10-21","18:00:00",""
"4126396","16.832","0.0008","19.0753","0.0009","17.8224","0.0009","90","","94.3906","0.0015","90","","5705.5","0.5","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H64 B11 Cl2 Cu N4 O Si2 -","- C36 H64 B11 Cl2 Cu N4 O Si2 -","- C144 H256 B44 Cl8 Cu4 N16 O4 Si8 -","4","1","","Wang, Hao; Wu, Linlin; Lin, Zhenyang; Xie, Zuowei","Synthesis, Structure and Reactivity of a Borylene Cation [(NHSi)2B(CO)]+ Stabilized by Three Neutral Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08667","","","0.71073","MoKα","","0.1326","0.0857","","","0.2609","0.2901","","","","","","1.111","","","","has coordinates","200849","2020-10-21","18:00:00",""
"4126397","11.7146","0.0002","13.9127","0.0003","16.7705","0.0004","86.9024","0.0011","76.445","0.0009","70.4064","0.0009","2502.39","0.09","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H56 B11 Br N4 O6 Si2 W -","- C38 H56 B11 Br N4 O6 Si2 W -","- C76 H112 B22 Br2 N8 O12 Si4 W2 -","2","1","","Wang, Hao; Wu, Linlin; Lin, Zhenyang; Xie, Zuowei","Synthesis, Structure and Reactivity of a Borylene Cation [(NHSi)2B(CO)]+ Stabilized by Three Neutral Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08667","","","0.71073","MoKα","","0.0514","0.039","","","0.0989","0.1056","","","","","","1.017","","","","has coordinates","200850","2020-10-21","18:00:00",""
"4126398","8.7475","0.0004","5.9029","0.0003","15.0832","0.0007","90","","96.8723","0.0008","90","","773.23","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Berkelium(III) iodate","","","- Bk2 I6 O18 -","- Bk2 I6 O18 -","- Bk4 I12 O36 -","2","0.5","","Silver, Mark A.; Cary, Samantha K.; Garza, Alejandro J.; Baumbach, Ryan E.; Arico, Alexandra A.; Galmin, Gregory A.; Chen, Kuan-Wen; Johnson, Jason A.; Wang, Jamie C.; Clark, Ronald J.; Chemey, Alexander; Eaton, Teresa M.; Marsh, Matthew L.; Seidler, Kevin; Galley, Shane S.; van de Burgt, Lambertus; Gray, Ashley L.; Hobart, David E.; Hanson, Kenneth; van Cleve, Shelley M.; Gendron, Frédéric; Autschbach, Jochen; Scuseria, Gustavo E.; Maron, Laurent; Speldrich, Manfred; Kögerler, Paul; Celis-Barros, Cristian; Paéz-Hernandéz, Dayán; Arratia-Perez, Ramiro; Ruf, Michael; Albrecht-Schmitt, Thomas E","Departure from a Spherically Symmetric Ground State in a System with a Half-filled Shell: The Case Example of Berkelium(IV) Iodate.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05569","","","0.71073","MoKα","","0.031","0.0307","","","0.075","0.0752","","","","","","1.216","","","","has coordinates","200890","2020-10-21","18:00:00",""
"4126399","8.5604","0.0006","8.5604","0.0006","7.5746","0.0005","90","","90","","90","","555.07","0.07","100","2","100","2","","","","","","","","3","P 4/n","-P 4a","85","Berkelium(IV) iodate","","","- Bk I4 O12 -","- Bk I4 O12 -","- Bk2 I8 O24 -","2","","","Silver, Mark A.; Cary, Samantha K.; Garza, Alejandro J.; Baumbach, Ryan E.; Arico, Alexandra A.; Galmin, Gregory A.; Chen, Kuan-Wen; Johnson, Jason A.; Wang, Jamie C.; Clark, Ronald J.; Chemey, Alexander; Eaton, Teresa M.; Marsh, Matthew L.; Seidler, Kevin; Galley, Shane S.; van de Burgt, Lambertus; Gray, Ashley L.; Hobart, David E.; Hanson, Kenneth; van Cleve, Shelley M.; Gendron, Frédéric; Autschbach, Jochen; Scuseria, Gustavo E.; Maron, Laurent; Speldrich, Manfred; Kögerler, Paul; Celis-Barros, Cristian; Paéz-Hernandéz, Dayán; Arratia-Perez, Ramiro; Ruf, Michael; Albrecht-Schmitt, Thomas E","Departure from a Spherically Symmetric Ground State in a System with a Half-filled Shell: The Case Example of Berkelium(IV) Iodate.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05569","","","0.71073","MoKα","","0.0148","0.0129","","","0.0265","0.0269","","","","","","1.149","","","","has coordinates","200890","2020-10-21","18:00:00",""
"4126400","21.4559","0.0007","21.4559","0.0007","6.7954","0.0003","90","","90","","120","","2709.19","0.17","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(dmpn)1.3","","","- C20.5 H24.2 N2.6 O6 Zn2 -","- C20.5 H25.58 N3.3 O6 Zn2 -","- C61.5 H76.74 N9.9 O18 Zn6 -","3","0.5","","Milner, Phillip J.; Siegelman, Rebecca L.; Forse, Alexander C.; Gonzalez, Miguel I.; Runčevski, Tomče; Martell, Jeffrey D.; Reimer, Jeffrey A.; Long, Jeffrey R.","A Diaminopropane-Appended Metal‒Organic Framework Enabling Efficient CO2 Capture from Coal Flue Gas via a Mixed Adsorption Mechanism","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07612","","","0.7749","synchrotron","","0.1","0.0955","","","0.2221","0.224","","","","","","1.303","","","","has coordinates,has disorder","200892","2020-10-21","18:00:00",""
"4126401","21.653","0.0011","21.653","0.0011","6.7873","0.0004","90","","90","","120","","2755.9","0.3","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","Zn2(dobpdc)(dmpn)0.65(dmpn-CO2)0.774","","","- C21.89 H25.94 N2.85 O7.55 Zn2 -","- C21.894 H26.316 N3.424 O7.548 Zn2 -","- C65.682 H78.948 N10.272 O22.644 Zn6 -","3","0.5","","Milner, Phillip J.; Siegelman, Rebecca L.; Forse, Alexander C.; Gonzalez, Miguel I.; Runčevski, Tomče; Martell, Jeffrey D.; Reimer, Jeffrey A.; Long, Jeffrey R.","A Diaminopropane-Appended Metal‒Organic Framework Enabling Efficient CO2 Capture from Coal Flue Gas via a Mixed Adsorption Mechanism","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07612","","","0.6888","synchrotron","","0.0652","0.0585","","","0.1332","0.1358","","","","","","1.205","","","","has coordinates,has disorder","200893","2020-10-21","18:00:00",""
"4126402","21.527","0.002","21.527","0.002","6.8199","0.0008","90","","90","","120","","2737","0.5","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(mpn)1.758(C7H8)0.622","","","- C25.39 H32.07 N3.52 O6 Zn2 -","- C25.386 H32.072 N3.758 O6 Zn2 -","- C76.158 H96.216 N11.274 O18 Zn6 -","3","0.5","","Milner, Phillip J.; Siegelman, Rebecca L.; Forse, Alexander C.; Gonzalez, Miguel I.; Runčevski, Tomče; Martell, Jeffrey D.; Reimer, Jeffrey A.; Long, Jeffrey R.","A Diaminopropane-Appended Metal‒Organic Framework Enabling Efficient CO2 Capture from Coal Flue Gas via a Mixed Adsorption Mechanism","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07612","","","0.7749","synchrotron","","0.0583","0.0574","","","0.1414","0.1418","","","","","","1.238","","","","has coordinates,has disorder","200894","2020-10-21","18:00:00",""
"4126403","21.3008","0.0009","21.3008","0.0009","6.877","0.0003","90","","90","","120","","2702.2","0.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(dmen)0.976(dmen-CO2)0.758","","","- C21.91 H26.82 N3.47 O7.95 Zn2 -","- C21.912 H26.816 N3.468 O7.952 Zn2 -","- C65.736 H80.448 N10.404 O23.856 Zn6 -","3","0.5","","Milner, Phillip J.; Siegelman, Rebecca L.; Forse, Alexander C.; Gonzalez, Miguel I.; Runčevski, Tomče; Martell, Jeffrey D.; Reimer, Jeffrey A.; Long, Jeffrey R.","A Diaminopropane-Appended Metal‒Organic Framework Enabling Efficient CO2 Capture from Coal Flue Gas via a Mixed Adsorption Mechanism","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07612","","","0.7749","synchrotron","","0.075","0.0728","","","0.1762","0.1775","","","","","","1.215","","","","has coordinates,has disorder","200895","2020-10-21","18:00:00",""
"4126404","21.4217","0.0008","21.4217","0.0008","6.8386","0.0003","90","","90","","120","","2717.73","0.19","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(dmen)1.61-(H2O)0.70","","","- C20.44 H26.72 N3.22 O6.7 Zn2 -","- C20.44 H25.316 N3.61 O6.7 Zn2 -","- C61.32 H75.948 N10.83 O20.1 Zn6 -","3","0.5","","Milner, Phillip J.; Siegelman, Rebecca L.; Forse, Alexander C.; Gonzalez, Miguel I.; Runčevski, Tomče; Martell, Jeffrey D.; Reimer, Jeffrey A.; Long, Jeffrey R.","A Diaminopropane-Appended Metal‒Organic Framework Enabling Efficient CO2 Capture from Coal Flue Gas via a Mixed Adsorption Mechanism","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07612","","","0.8856","synchrotron","","0.0588","0.0511","","","0.1359","0.1401","","","","","","1.106","","","","has coordinates,has disorder","200896","2020-10-21","18:00:00",""
"4126405","37.171","0.006","37.171","0.006","15.907","0.002","90","","90","","120","","19034","5","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C14 H12 Cl3 Cu2 N7 O2 -","- C14 H12 Cl3 Cu2 N7 O2 -","- C252 H216 Cl54 Cu36 N126 O36 -","18","0.5","","Park, Sarah S.; Tulchinsky, Yuri; Dincă, Mircea","Single-Ion Li(+), Na(+), and Mg(2+) Solid Electrolytes Supported by a Mesoporous Anionic Cu-Azolate Metal-Organic Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06197","","","0.71073","MoKα","","0.103","0.0636","","","0.2079","0.2437","","","","","","1.031","","","","has coordinates,has disorder","200897","2020-10-21","18:00:00",""
"4126406","38.819","0.004","38.819","0.004","7.7932","0.0012","90","","90","","120","","10170","2","373","2","373","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C4.5 H1.5 Cl0.75 Cu0.75 N2.25 O0.75 -","- C4.5 H1.5 Cl0.75 Cu0.75 N2.25 O0.75 -","- C108 H36 Cl18 Cu18 N54 O18 -","24","0.666667","","Park, Sarah S.; Tulchinsky, Yuri; Dincă, Mircea","Single-Ion Li(+), Na(+), and Mg(2+) Solid Electrolytes Supported by a Mesoporous Anionic Cu-Azolate Metal-Organic Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06197","","","1.54178","CuKα","","0.055","0.0401","","","0.1405","0.1586","","","","","","0.699","","","","has coordinates,has disorder","200898","2020-10-21","18:00:00",""
"4126407","37.82","0.003","37.82","0.003","8.0074","0.0011","90","","90","","120","","9918.9","1.8","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C4.5 H1.5 Cl0.75 Cu0.75 N2.25 O1.5 -","- C4.5 H1.5 Cl0.75 Cu0.75 N2.25 O1.5 -","- C108 H36 Cl18 Cu18 N54 O36 -","24","0.666667","","Park, Sarah S.; Tulchinsky, Yuri; Dincă, Mircea","Single-Ion Li(+), Na(+), and Mg(2+) Solid Electrolytes Supported by a Mesoporous Anionic Cu-Azolate Metal-Organic Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06197","","","1.54178","CuKα","","0.0734","0.0412","","","0.088","0.0988","","","","","","0.914","","","","has coordinates,has disorder","200899","2020-10-21","18:00:00",""
"4126408","24.6141","0.0009","19.4717","0.0007","8.0534","0.0003","90","","90","","90","","3859.8","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23.5 H24 Co0.5 N2.5 O0.5 -","- C23.5 H24 Co0.5 N2.5 O0.5 -","- C188 H192 Co4 N20 O4 -","8","1","","Tokmic, Kenan; Jackson, Bailey J.; Salazar, Andrea; Woods, Toby J.; Fout, Alison R.","Cobalt-Catalyzed and Lewis Acid-Assisted Nitrile Hydrogenation to Primary Amines: A Combined Effort","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07368","","x-ray","0.71073","MoKα","","0.0469","0.0394","","","0.0963","0.101","","","","","","1.09","","","","has coordinates,has disorder","200900","2020-10-21","18:00:00",""
"4126409","13.1921","0.001","18.4856","0.0016","20.7607","0.0014","90","","90","","90","","5062.8","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H55 Co N5 O P -","- C64 H55 Co N5 O P -","- C256 H220 Co4 N20 O4 P4 -","4","1","","Tokmic, Kenan; Jackson, Bailey J.; Salazar, Andrea; Woods, Toby J.; Fout, Alison R.","Cobalt-Catalyzed and Lewis Acid-Assisted Nitrile Hydrogenation to Primary Amines: A Combined Effort","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07368","","","0.71073","MoKα","","0.0924","0.0539","","","0.1011","0.1164","","","","","","1.013","","","","has coordinates","200901","2020-10-21","18:00:00",""
"4126410","17.9017","0.001","16.1949","0.001","18.5938","0.0012","90","","93.322","0.003","90","","5381.6","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H63 Co N5 O P -","- C67 H63 Co N5 O P -","- C268 H252 Co4 N20 O4 P4 -","4","1","","Tokmic, Kenan; Jackson, Bailey J.; Salazar, Andrea; Woods, Toby J.; Fout, Alison R.","Cobalt-Catalyzed and Lewis Acid-Assisted Nitrile Hydrogenation to Primary Amines: A Combined Effort","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07368","","x-ray","0.71073","MoKα","","0.0648","0.0378","","","0.089","0.1073","","","","","","1.068","","","","has coordinates","200902","2020-10-21","18:00:00",""
"4126411","5.3296","0.0002","10.3296","0.0003","12.0234","0.0004","74.8164","0.0008","85.3302","0.0009","75.455","0.0008","618.25","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 F N O2 -","- C13 H18 F N O2 -","- C26 H36 F2 N2 O4 -","2","1","","Parisi, Giovanna; Colella, Marco; Monticelli, Serena; Romanazzi, Giuseppe; Holzer, Wolfgang; Langer, Thierry; Degennaro, Leonardo; Pace, Vittorio; Luisi, Renzo","Exploiting a ""Beast"" in Carbenoid Chemistry: Development of a Straightforward Direct Nucleophilic Fluoromethylation Strategy.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07891","","x-ray","1.54178","CuKα","","0.0332","0.0321","","","0.0778","0.0786","","","","","","1.036","","","","has coordinates","200940","2020-10-21","18:00:00",""
"4126412","27.0265","0.0008","27.0265","0.0008","17.8985","0.0009","90","","90","","120","","11322.1","0.7","250","","250","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C12 H11 N9 O2 Zn2 -","- C12 H11 N9 O2 Zn2 -","- C144 H132 N108 O24 Zn24 -","12","0.5","","Furlong, Brandon J.; Katz, Michael J.","Bistable Dithienylethene-Based Metal-Organic Framework Illustrating Optically Induced Changes in Chemical Separations.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07856","","x-ray","0.71073","MoKα","","0.2066","0.1464","","0.3549","0.3125","0.303","","","","","","0.8295","","","","has coordinates,has disorder","204144","2020-10-21","18:00:00",""
"4126413","27.2188","0.0005","27.2188","0.0005","17.0357","0.0008","90","","90","","120","","10930.2","0.6","250","0.1","250","0.1","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C12.67 H8.6 N7.42 O2.84 S0.5 Zn1.5 -","- C12.6663 H8.598 N7.4175 O2.835 S0.49995 Zn1.5 -","- C202.661 H137.568 N118.68 O45.36 S7.9992 Zn24 -","16","0.666667","","Furlong, Brandon J.; Katz, Michael J.","Bistable Dithienylethene-Based Metal-Organic Framework Illustrating Optically Induced Changes in Chemical Separations.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07856","","x-ray","1.54184","CuKα","","0.1476","0.123","","0.41","0.3719","0.3664","","","","","","3.3025","","","","has coordinates,has disorder","204144","2020-10-21","18:00:00",""
"4126414","27.2188","0.0005","27.2188","0.0005","17.0357","0.0008","90","","90","","120","","10930.2","0.6","250","0.1","250","0.1","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C9.69 H8.32 N7.43 O2.86 S0.09 Zn1.5 -","- C9.693 H8.32575 N7.43025 O2.8605 S0.0945 Zn1.5 -","- C155.088 H133.212 N118.884 O45.768 S1.512 Zn24 -","16","0.666667","","Furlong, Brandon J.; Katz, Michael J.","Bistable Dithienylethene-Based Metal-Organic Framework Illustrating Optically Induced Changes in Chemical Separations.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07856","","x-ray","1.54184","CuKα","","0.1379","0.1143","","0.1974","0.1393","0.1581","","","","","","1.0152","","","","has coordinates,has disorder","204144","2020-10-21","18:00:00",""
"4126415","7.4448","0.0002","5.7199","0.0002","16.4982","0.0007","90","","90.354","0.003","90","","702.54","0.04","293.5","0.2","293.5","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H12 Br N3 O -","- C15 H12 Br N3 O -","- C30 H24 Br2 N6 O2 -","2","1","","Zhou, Pengfei; Lin, Lili; Chen, Long; Zhong, Xia; Liu, Xiaohua; Feng, Xiaoming","Iron-Catalyzed Asymmetric Haloazidation of α,β-Unsaturated Ketones: Construction of Organic Azides with Two Vicinal Stereocenters.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06029","","x-ray","1.54184","CuKα","","0.0483","0.047","","","0.1257","0.1292","","","","","","1.119","","","","has coordinates","200962","2020-10-21","18:00:00",""
"4126416","9.0743","0.0006","17.4986","0.001","10.3332","0.0007","90","","106.558","0.003","90","","1572.74","0.18","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br Cl O4 -","- C16 H18 Br Cl O4 -","- C64 H72 Br4 Cl4 O16 -","4","1","","Shen, Liang; Zhao, Kai; Doitomi, Kazuki; Ganguly, Rakesh; Li, Yong-Xin; Shen, Zhi-Liang; Hirao, Hajime; Loh, Teck-Peng","Lewis Acid-Catalyzed Selective [2 + 2]-Cycloaddition and Dearomatizing Cascade Reaction of Aryl Alkynes with Acrylates.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07997","","","0.71073","MoKα","","0.0844","0.0451","","","0.0814","0.0939","","","","","","1.018","","","","has coordinates","201028","2020-10-21","18:00:00",""
"4126417","7.8298","0.0003","10.7707","0.0004","13.5049","0.0005","92.876","0.003","96.754","0.002","97.138","0.002","1119.8","0.07","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 Br2 O2 -","- C24 H28 Br2 O2 -","- C48 H56 Br4 O4 -","2","1","","Shen, Liang; Zhao, Kai; Doitomi, Kazuki; Ganguly, Rakesh; Li, Yong-Xin; Shen, Zhi-Liang; Hirao, Hajime; Loh, Teck-Peng","Lewis Acid-Catalyzed Selective [2 + 2]-Cycloaddition and Dearomatizing Cascade Reaction of Aryl Alkynes with Acrylates.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07997","","","0.71073","MoKα","","0.0729","0.038","","","0.0655","0.0742","","","","","","1.007","","","","has coordinates","201029","2020-10-21","18:00:00",""
"4126418","7.7807","0.0004","10.8974","0.0005","12.8013","0.0006","89.442","0.003","82.532","0.003","83.422","0.003","1069.11","0.09","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 Br2 O2 -","- C23 H26 Br2 O2 -","- C46 H52 Br4 O4 -","2","1","","Shen, Liang; Zhao, Kai; Doitomi, Kazuki; Ganguly, Rakesh; Li, Yong-Xin; Shen, Zhi-Liang; Hirao, Hajime; Loh, Teck-Peng","Lewis Acid-Catalyzed Selective [2 + 2]-Cycloaddition and Dearomatizing Cascade Reaction of Aryl Alkynes with Acrylates.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07997","","","0.71073","MoKα","","0.1052","0.0444","","","0.0941","0.1224","","","","","","0.989","","","","has coordinates","201030","2020-10-21","18:00:00",""
"4126419","6.644","0.001","11.864","0.002","11.9743","0.0017","88.957","0.004","76.194","0.004","76.156","0.004","889.2","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H34 Br2 O4 -","- C44 H34 Br2 O4 -","- C44 H34 Br2 O4 -","1","0.5","","Shen, Liang; Zhao, Kai; Doitomi, Kazuki; Ganguly, Rakesh; Li, Yong-Xin; Shen, Zhi-Liang; Hirao, Hajime; Loh, Teck-Peng","Lewis Acid-Catalyzed Selective [2 + 2]-Cycloaddition and Dearomatizing Cascade Reaction of Aryl Alkynes with Acrylates.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07997","","","0.71073","MoKα","","0.1512","0.0692","","","0.1773","0.2218","","","","","","1.041","","","","has coordinates","201031","2020-10-21","18:00:00",""
"4126420","9.241","0.0012","17.454","0.002","10.4075","0.0013","90","","106.183","0.004","90","","1612.1","0.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br2 O4 -","- C16 H18 Br2 O4 -","- C64 H72 Br8 O16 -","4","1","","Shen, Liang; Zhao, Kai; Doitomi, Kazuki; Ganguly, Rakesh; Li, Yong-Xin; Shen, Zhi-Liang; Hirao, Hajime; Loh, Teck-Peng","Lewis Acid-Catalyzed Selective [2 + 2]-Cycloaddition and Dearomatizing Cascade Reaction of Aryl Alkynes with Acrylates.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07997","","","0.71073","MoKα","","0.1313","0.0601","","","0.0906","0.1072","","","","","","0.99","","","","has coordinates","201032","2020-10-21","18:00:00",""
"4126421","11.9006","0.0012","12.1348","0.001","14.5838","0.0011","90","","105.775","0.003","90","","2026.7","0.3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Br2 O2 -","- C22 H24 Br2 O2 -","- C88 H96 Br8 O8 -","4","1","","Shen, Liang; Zhao, Kai; Doitomi, Kazuki; Ganguly, Rakesh; Li, Yong-Xin; Shen, Zhi-Liang; Hirao, Hajime; Loh, Teck-Peng","Lewis Acid-Catalyzed Selective [2 + 2]-Cycloaddition and Dearomatizing Cascade Reaction of Aryl Alkynes with Acrylates.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07997","","","0.71073","","","0.1027","0.0468","","","0.0823","0.0984","","","","","","0.997","","","","has coordinates","201033","2020-10-21","18:00:00",""
"4126422","3.9358","0.0002","18.4765","0.0007","12.6373","0.0005","90","","97.475","0.003","90","","911.17","0.07","147","2","147","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N O5 -","- C9 H9 N O5 -","- C36 H36 N4 O20 -","4","1","","Dong, Mingxin; Babalhavaeji, Amirhossein; Collins, Catherine V.; Jarrah, Kareem; Sadovski, Oleg; Dai, Qiuyun; Woolley, G. Andrew","Near-Infrared Photoswitching of Azobenzenes under Physiological Conditions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06471","","","1.54178","CuKα","","0.0506","0.0419","","","0.108","0.1138","","","","","","1.042","","","","has coordinates","201034","2020-10-21","18:00:00",""
"4126423","10.8792","0.0004","15.5118","0.0005","8.0195","0.0003","90","","101.652","0.004","90","","1325.45","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br2 Cl6 N2 O6 -","- C20 H18 Br2 Cl6 N2 O6 -","- C40 H36 Br4 Cl12 N4 O12 -","2","0.5","","Dong, Mingxin; Babalhavaeji, Amirhossein; Collins, Catherine V.; Jarrah, Kareem; Sadovski, Oleg; Dai, Qiuyun; Woolley, G. Andrew","Near-Infrared Photoswitching of Azobenzenes under Physiological Conditions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06471","","x-ray","1.54184","CuKα","","0.0551","0.0427","","","0.1073","0.1149","","","","","","1.037","","","","has coordinates","201035","2020-10-21","18:00:00",""
"4126424","28.3815","0.0006","47.031","0.0007","46.147","0.002","90","","90","","90","","61597","3","100.01","0.1","100.01","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C400 H600 Ag141 Cl12 S40 -","- C400 H600 Ag141 Cl12 S40 -","- C1600 H2400 Ag564 Cl48 S160 -","4","0.5","","Ren, Liting; Yuan, Peng; Su, Haifeng; Malola, Sami; Lin, Shuichao; Tang, Zichao; Teo, Boon K.; Häkkinen, Hannu; Zheng, Lansun; Zheng, Nanfeng","Bulky Surface Ligands Promote Surface Reactivities of [Ag141X12(S-Adm)40](3+) (X = Cl, Br, I) Nanoclusters: Models for Multiple-Twinned Nanoparticles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07926","","x-ray","0.71073","MoKα","","0.1089","0.074","","","0.1817","0.2214","","","","","","1.015","","","","has coordinates,has disorder","201036","2020-10-21","18:00:00",""
"4126425","28.4956","0.0006","46.9834","0.0006","45.952","0.0007","90","","90","","90","","61521.5","1.8","103","4","103","4","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C400 H600 Ag141 Br12 S40 -","- C400 H600 Ag141 Br12 S40 -","- C1600 H2400 Ag564 Br48 S160 -","4","0.5","","Ren, Liting; Yuan, Peng; Su, Haifeng; Malola, Sami; Lin, Shuichao; Tang, Zichao; Teo, Boon K.; Häkkinen, Hannu; Zheng, Lansun; Zheng, Nanfeng","Bulky Surface Ligands Promote Surface Reactivities of [Ag141X12(S-Adm)40](3+) (X = Cl, Br, I) Nanoclusters: Models for Multiple-Twinned Nanoparticles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07926","","x-ray","0.71073","MoKα","","0.1399","0.085","","","0.2206","0.2588","","","","","","1.071","","","","has coordinates","201037","2020-10-21","18:00:00",""
"4126426","5.00279","0.0001","16.5993","0.0002","24.777","0.0003","90","","90","","90","","2057.55","0.05","100","0.2","100","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H14 B F5 N2 O2 -","- C26 H14 B F5 N2 O2 -","- C104 H56 B4 F20 N8 O8 -","4","1","","Li, Tian-Yi; Meyer, Toni; Ma, Zaifei; Benduhn, Johannes; Koerner, Christian; Zeika, Olaf; Vandewal, Koen; Leo, Karl","Small Molecule Near-Infrared BODIPY Donors for Organic Tandem Solar Cells.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07887","","x-ray","1.54184","CuKα","","0.0321","0.0307","","","0.079","0.0805","","","","","","1.032","","","","has coordinates","201084","2020-10-21","18:00:00",""
"4126427","10.3958","0.0003","13.9619","0.0004","17.5164","0.0006","110.447","0.003","95.912","0.002","101.347","0.002","2294.5","0.14","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 B F5 N2 O2 -","- C28 H18 B F5 N2 O2 -","- C112 H72 B4 F20 N8 O8 -","4","2","","Li, Tian-Yi; Meyer, Toni; Ma, Zaifei; Benduhn, Johannes; Koerner, Christian; Zeika, Olaf; Vandewal, Koen; Leo, Karl","Small Molecule Near-Infrared BODIPY Donors for Organic Tandem Solar Cells.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07887","","x-ray","1.54184","CuKα","","0.0503","0.0456","","","0.1224","0.1275","","","","","","1.04","","","","has coordinates","201085","2020-10-21","18:00:00",""
"4126428","9.4718","0.0005","9.4932","0.0003","13.4657","0.0003","91.53","0.002","91.845","0.003","108.004","0.004","1150.06","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 B F5 N2 O4 -","- C28 H18 B F5 N2 O4 -","- C56 H36 B2 F10 N4 O8 -","2","1","","Li, Tian-Yi; Meyer, Toni; Ma, Zaifei; Benduhn, Johannes; Koerner, Christian; Zeika, Olaf; Vandewal, Koen; Leo, Karl","Small Molecule Near-Infrared BODIPY Donors for Organic Tandem Solar Cells.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07887","","x-ray","1.54184","CuKα","","0.0688","0.0675","","","0.201","0.2043","","","","","","1.188","","","","has coordinates,has disorder","201086","2020-10-21","18:00:00",""
"4126429","7.8872","0.0012","11.9464","0.0019","11.9276","0.0019","90","","90","","90","","1123.9","0.3","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C6 N10 O8 -","- C6 N10 O8 -","- C24 N40 O32 -","4","1","","Tang, Yongxing; Kumar, Dheeraj; Shreeve, Jean'ne M.","Balancing Excellent Performance and High Thermal Stability in a Dinitropyrazole Fused 1,2,3,4-Tetrazine.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08789","","","0.71073","MoKα","","0.0368","0.0348","","","0.0903","0.0923","","","","","","1.058","","","","has coordinates","201116","2020-10-21","18:00:00",""
"4126430","7.8053","0.001","10.1106","0.0013","16.085","0.002","90","","96.012","0.001","90","","1262.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N10 O8 -","- C6 H4 N10 O8 -","- C24 H16 N40 O32 -","4","1","","Tang, Yongxing; Kumar, Dheeraj; Shreeve, Jean'ne M.","Balancing Excellent Performance and High Thermal Stability in a Dinitropyrazole Fused 1,2,3,4-Tetrazine.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08789","","","0.71073","MoKα","","0.0526","0.0419","","","0.1065","0.1171","","","","","","1.03","","","","has coordinates","201117","2020-10-21","18:00:00",""
"4126431","14.1155","0.0003","15.7239","0.0004","21.2585","0.0005","94.8964","0.0019","105.121","0.0019","109.266","0.002","4223.13","0.19","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H72 Fe N4 O -","- C96 H72 Fe N4 O -","- C192 H144 Fe2 N8 O2 -","2","1","","Zaragoza, Jan Paulo T.; Yosca, Timothy H.; Siegler, Maxime A.; Moënne-Loccoz, Pierre; Green, Michael T.; Goldberg, David P.","Direct Observation of Oxygen Rebound with an Iron-Hydroxide Complex.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07979","","","1.54178","CuKα","","0.0899","0.0568","","","0.1341","0.1447","","","","","","0.853","","","","has coordinates,has disorder","201118","2020-10-21","18:00:00",""
"4126432","14.2771","0.0003","15.7261","0.0005","21.1824","0.0006","95.674","0.003","104.611","0.002","109.64","0.002","4245.5","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H59 Cl Fe N4 -","- C91 H59 Cl Fe N4 -","- C182 H118 Cl2 Fe2 N8 -","2","1","","Zaragoza, Jan Paulo T.; Yosca, Timothy H.; Siegler, Maxime A.; Moënne-Loccoz, Pierre; Green, Michael T.; Goldberg, David P.","Direct Observation of Oxygen Rebound with an Iron-Hydroxide Complex.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07979","","","1.54178","CuKα","","0.084","0.06","","","0.1597","0.1694","","","","","","0.915","","","","has coordinates","201119","2020-10-21","18:00:00",""
"4126433","37.4644","0.0007","37.4644","0.0007","14.7323","0.0003","90","","90","","120","","17907.7","0.6","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C44.48 H57.96 N4 Ni2 -","- C44.4815 H57.9556 N4 Ni2 -","- C800.667 H1043.2 N72 Ni36 -","18","1","","Hartline, Douglas R.; Zeller, Matthias; Uyeda, Christopher","Catalytic Carbonylative Rearrangement of Norbornadiene via Dinuclear Carbon-Carbon Oxidative Addition.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08691","","","1.54178","CuKα","","0.0538","0.0445","","","0.1132","0.1196","","","","","","1.046","","","","has coordinates,has disorder","201120","2020-10-21","18:00:00",""
"4126434","12.9528","0.0002","20.2181","0.0004","14.3665","0.0003","90","","100.043","0.0014","90","","3704.66","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H52 N4 Ni2 -","- C43 H52 N4 Ni2 -","- C172 H208 N16 Ni8 -","4","1","","Hartline, Douglas R.; Zeller, Matthias; Uyeda, Christopher","Catalytic Carbonylative Rearrangement of Norbornadiene via Dinuclear Carbon-Carbon Oxidative Addition.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08691","","","1.54178","CuKα","","0.0556","0.0546","","","0.1376","0.1389","","","","","","1.054","","","","has coordinates","201120","2020-10-21","18:00:00",""
"4126435","21.8142","0.0005","10.2781","0.0002","18.452","0.0004","90","","91.5231","0.0008","90","","4135.63","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H60 N4 Ni2 O -","- C47 H60 N4 Ni2 O -","- C188 H240 N16 Ni8 O4 -","4","1","","Hartline, Douglas R.; Zeller, Matthias; Uyeda, Christopher","Catalytic Carbonylative Rearrangement of Norbornadiene via Dinuclear Carbon-Carbon Oxidative Addition.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08691","","","1.54178","CuKα","","0.0368","0.0315","","","0.0797","0.0832","","","","","","1.04","","","","has coordinates,has disorder","201120","2020-10-21","18:00:00",""
"4126436","11.7473","0.0008","8.3555","0.0004","11.0937","0.0007","90","","92.264","0.003","90","","1088.05","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C48 H64 O8 -","4","1","","Hartline, Douglas R.; Zeller, Matthias; Uyeda, Christopher","Catalytic Carbonylative Rearrangement of Norbornadiene via Dinuclear Carbon-Carbon Oxidative Addition.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08691","","","0.71073","MoKα","","0.053","0.0407","","","0.1021","0.1115","","","","","","1.053","","","","has coordinates","201120","2020-10-21","18:00:00",""
"4126437","14.3058","0.0006","14.5681","0.0005","28.6607","0.0012","89.927","0.003","79.223","0.004","64.79","0.004","5288.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C145 H86 B3 Cl2 F6 N9 -","- C145 H86 B3 Cl2 F6 N9 -","- C290 H172 B6 Cl4 F12 N18 -","2","1","","Ke, Xian-Sheng; Kim, Taeyeon; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Flattened Calixarene-Like Cyclic BODIPY Array: A New Photosynthetic Antenna Model.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08611","","","1.54184","CuKα","","0.1142","0.0901","","","0.2475","0.2645","","","","","","1.064","","","","has coordinates,has disorder","201121","2020-10-21","18:00:00",""
"4126438","18.5838","0.001","21.7474","0.001","23.3461","0.0011","90","","98.616","0.005","90","","9328.8","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C228 H168 B6 F12 N18 O0.5 -","- C228 H168 B6 F12 N18 O0.5 -","- C456 H336 B12 F24 N36 O -","2","0.5","","Ke, Xian-Sheng; Kim, Taeyeon; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Flattened Calixarene-Like Cyclic BODIPY Array: A New Photosynthetic Antenna Model.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08611","","","1.54184","CuKα","","0.1701","0.0957","","","0.2332","0.2926","","","","","","1.023","","","","has coordinates,has disorder","201122","2020-10-21","18:00:00",""
"4126439","14.8595","0.0013","18.9278","0.0017","18.9885","0.0016","113.569","0.003","105.802","0.003","100.532","0.003","4445.1","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H104 B3 Cl4 F6 N9 -","- C84 H84 B3 F6 N9 -","- C168 H168 B6 F12 N18 -","2","1","","Ke, Xian-Sheng; Kim, Taeyeon; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Flattened Calixarene-Like Cyclic BODIPY Array: A New Photosynthetic Antenna Model.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08611","","","0.71073","MoKα","","0.1789","0.0779","","","0.1821","0.2181","","","","","","0.995","","","","has coordinates,has disorder","201123","2020-10-21","18:00:00",""
"4126440","15.28","0.001","15.28","0.001","76.328","0.011","90","","90","","120","","15433","3","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C72 H108 Cl3 Mn7 N24 O27 -","- C72 H108 Cl3 Mn7 N24 O27 -","- C432 H648 Cl18 Mn42 N144 O162 -","6","0.166667","","Guo, Ling-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Core-Shell {Mn7⊆(Mn,Cd)12} Assembled from Core {Mn7} Disc.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08679","","","0.71073","MoKα","","0.0965","0.0725","","","0.1982","0.2161","","","","","","1.128","","","","has coordinates","201124","2020-10-21","18:00:00",""
"4126441","35.846","0.004","35.846","0.004","13.5509","0.0017","90","","90","","120","","15079","3","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C132 H210 Cd6 Cl6 Mn13 N66 O54 -","- C132 H210 Cd6 Cl6 Mn13 N66 O54 -","- C396 H630 Cd18 Cl18 Mn39 N198 O162 -","3","0.166667","","Guo, Ling-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Core-Shell {Mn7⊆(Mn,Cd)12} Assembled from Core {Mn7} Disc.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08679","","","0.71073","MoKα","","0.1078","0.0542","","","0.1262","0.1433","","","","","","0.894","","","","has coordinates","201124","2020-10-21","18:00:00",""
"4126442","23.8415","0.0011","5.6954","0.0003","24.4039","0.0009","90","","99.119","0.001","90","","3271.8","0.3","117","2","117","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 I O2 -","- C18 H21 I O2 -","- C144 H168 I8 O16 -","8","2","","Pitzer, Lena; Sandfort, Frederik; Strieth-Kalthoff, Felix; Glorius, Frank","Intermolecular Radical Addition to Carbonyls Enabled by Visible Light Photoredox Initiated Hole Catalysis.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08086","","","0.71073","MoKα","","0.0604","0.0409","","","0.0835","0.091","","","","","","1.104","","","","has coordinates","201176","2020-10-21","18:00:00",""
"4126443","12.5365","0.0008","5.7239","0.0004","22.1364","0.0014","90","","91.375","0.004","90","","1588","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Pitzer, Lena; Sandfort, Frederik; Strieth-Kalthoff, Felix; Glorius, Frank","Intermolecular Radical Addition to Carbonyls Enabled by Visible Light Photoredox Initiated Hole Catalysis.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08086","","","1.54178","CuKα","","0.0597","0.0408","","","0.0961","0.1051","","","","","","1.069","","","","has coordinates","201176","2020-10-21","18:00:00",""
"4126444","6.7894","0.0002","9.3371","0.0003","22.2331","0.0008","90","","90","","90","","1409.43","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Liu, Qi; Deng, Yifan; Smith, 3rd, Amos B","Total Synthesis of (-)-Nahuoic Acid Ci (Bii).","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08683","","","1.54178","CuKα","","0.0279","0.0255","","","0.0632","0.064","","","","","","1.026","","","","has coordinates","288221","2023-12-11","22:20:44",""
"4126445","14.316","0.002","17.322","0.003","8.0019","0.0013","90","","90","","90","","1984.3","0.5","100","","100","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","","Liu, Qi; Deng, Yifan; Smith, 3rd, Amos B","Total Synthesis of (-)-Nahuoic Acid Ci (Bii).","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08683","","","1.54178","CuKα","","0.0267","0.0256","","","0.0644","0.0651","","","","","","1.043","","","","has coordinates","201178","2020-10-21","18:00:00",""
"4126446","14.788","0.003","18.134","0.004","28.447","0.006","90","","90","","90","","7629","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40.4 H44.8 Au1.1 Cl1.9 Fe P2 -","- C40.4 H44.8 Au1.1 Cl1.9 Fe P2 -","- C323.2 H358.4 Au8.8 Cl15.2 Fe8 P16 -","8","2","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.7107","MoKα","","0.0959","0.0511","","","0.0781","0.1","","","","","","1.151","","","","has coordinates,has disorder","201226","2020-10-21","18:00:00",""
"4126447","8.6631","0.0002","11.5159","0.0003","33.5456","0.0009","90","","90","","90","","3346.62","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H80 Au4 Cl4 Fe2 P4 -","- C64 H80 Au4 Cl4 Fe2 P4 -","- C128 H160 Au8 Cl8 Fe4 P8 -","2","0.5","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.71073","MoKα","","0.026","0.0237","","","0.0476","0.0536","","","","","","1.084","","","","has coordinates","201227","2020-10-21","18:00:00",""
"4126448","10.1094","0.0006","6.1675","0.0004","16.2477","0.0012","90","","91.584","0.006","90","","1012.65","0.12","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C25 H32 -","- C25 H32 -","- C50 H64 -","2","1","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.7107","MoKα","","0.1045","0.0703","","","0.1616","0.1777","","","","","","1.044","","","","has coordinates","201228","2020-10-21","18:00:00",""
"4126449","6.0054","0.0007","31.426","0.004","7.3514","0.001","90","","90.918","0.007","90","","1387.2","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H15 Br -","- C17 H15 Br -","- C68 H60 Br4 -","4","2","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.7107","MoKα","","0.0864","0.0791","","","0.1903","0.1934","","","","","","1.174","","","","has coordinates","201229","2020-10-21","18:00:00",""
"4126450","23.1418","0.0014","5.7036","0.0003","15.8393","0.001","90","","101.6","0.0019","90","","2048","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 F2 -","- C28 H24 F2 -","- C112 H96 F8 -","4","0.5","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.71073","MoKα","","0.092","0.071","","","0.1474","0.1551","","","","","","1.159","","","","has coordinates","201230","2020-10-21","18:00:00",""
"4126451","15.467","0.0005","6.10912","0.00017","16.5386","0.0005","90","","115.627","0.004","90","","1409","0.09","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C36 H42 -","- C36 H42 -","- C72 H84 -","2","1","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.7107","MoKα","","0.0581","0.0422","","","0.1199","0.1351","","","","","","0.725","","","","has coordinates","201231","2020-10-21","18:00:00",""
"4126452","8.3202","0.0003","6.0778","0.0002","16.2853","0.0005","90","","98.97","0.003","90","","813.45","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 S -","- C19 H22 S -","- C38 H44 S2 -","2","1","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.7107","MoKα","","0.0581","0.0473","","","0.1222","0.1284","","","","","","1.037","","","","has coordinates","201232","2020-10-21","18:00:00",""
"4126453","10.7462","0.0008","10.3072","0.0009","20.126","0.003","90","","90.695","0.004","90","","2229.1","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48.5 H45 Au2 Cl3 Fe P2 -","- C48.5 H45 Au2 Cl3 Fe P2 -","- C97 H90 Au4 Cl6 Fe2 P4 -","2","1","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.71073","MoKα","","0.0496","0.0408","","","0.0883","0.094","","","","","","1.018","","","","has coordinates,has disorder","201233","2020-10-21","18:00:00",""
"4126454","12.4734","0.0005","12.4985","0.0005","14.5205","0.0006","86.958","0.003","82.364","0.003","80.872","0.003","2214.06","0.16","180.01","0.1","180.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H64 Cu Li3 O6 -","- C48 H64 Cu Li3 O6 -","- C96 H128 Cu2 Li6 O12 -","2","1","","Liu, Liang; Zhu, Miaomiao; Yu, Hai-Tao; Zhang, Wen-Xiong; Xi, Zhenfeng","Organocopper(III) Spiro Complexes: Synthesis, Structural Characterization, and Redox Transformation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08803","","","0.7107","MoKα","","0.0766","0.0545","","","0.1258","0.1428","","","","","","1.028","","","","has coordinates","201258","2020-10-21","18:00:00",""
"4126455","11.6599","0.0008","18.6539","0.0011","21.2056","0.0016","90","","104.467","0.007","90","","4466","0.5","180.15","","180.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H64 Br Cu Li4 O4 Si2 -","- C40 H64 Br Cu Li4 O4 Si2 -","- C160 H256 Br4 Cu4 Li16 O16 Si8 -","4","1","","Liu, Liang; Zhu, Miaomiao; Yu, Hai-Tao; Zhang, Wen-Xiong; Xi, Zhenfeng","Organocopper(III) Spiro Complexes: Synthesis, Structural Characterization, and Redox Transformation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08803","","x-ray","0.7107","MoKα","","0.0751","0.0583","","","0.1384","0.1481","","","","","","1.03","","","","has coordinates","204144","2020-10-21","18:00:00",""
"4126456","16.5275","0.0008","22.2611","0.0009","19.3339","0.0009","90","","106.035","0.005","90","","6836.6","0.6","180","0.1","180","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 Cu Li O4 -","- C40 H48 Cu Li O4 -","- C320 H384 Cu8 Li8 O32 -","8","2","","Liu, Liang; Zhu, Miaomiao; Yu, Hai-Tao; Zhang, Wen-Xiong; Xi, Zhenfeng","Organocopper(III) Spiro Complexes: Synthesis, Structural Characterization, and Redox Transformation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08803","","","0.71073","MoKα","","0.0875","0.0514","","","0.1141","0.1349","","","","","","1.016","","","","has coordinates","201258","2020-10-21","18:00:00",""
"4126457","28.2528","0.001","21.4895","0.0007","19.7464","0.0006","90","","129.47","0.002","90","","9254.8","0.6","180","0.1","180","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H136 Cu2 Li2 O9 -","- C100 H136 Cu2 Li2 O9 -","- C400 H544 Cu8 Li8 O36 -","4","0.5","","Liu, Liang; Zhu, Miaomiao; Yu, Hai-Tao; Zhang, Wen-Xiong; Xi, Zhenfeng","Organocopper(III) Spiro Complexes: Synthesis, Structural Characterization, and Redox Transformation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08803","","x-ray","0.71073","MoKα","","0.0795","0.067","","","0.1852","0.2046","","","","","","1.044","","","","has coordinates,has disorder","201258","2020-10-21","18:00:00",""
"4126458","17.38","0.0013","14.6516","0.0008","16.6288","0.001","90","","90","","90","","4234.4","0.5","100.01","0.1","100.01","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C40 H66 Cu Li O4 Si2 -","- C40 H66 Cu Li O4 Si2 -","- C160 H264 Cu4 Li4 O16 Si8 -","4","1","","Liu, Liang; Zhu, Miaomiao; Yu, Hai-Tao; Zhang, Wen-Xiong; Xi, Zhenfeng","Organocopper(III) Spiro Complexes: Synthesis, Structural Characterization, and Redox Transformation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08803","","","0.7107","MoKα","","0.1375","0.0835","","","0.1955","0.2348","","","","","","1.025","","","","has coordinates","201258","2020-10-21","18:00:00",""
"4126459","10.0119","0.0002","20.7384","0.0003","10.2015","0.0002","90","","106.42","0.002","90","","2031.76","0.07","180","0.1","180","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 I2 -","- C24 H16 I2 -","- C96 H64 I8 -","4","1","","Liu, Liang; Zhu, Miaomiao; Yu, Hai-Tao; Zhang, Wen-Xiong; Xi, Zhenfeng","Organocopper(III) Spiro Complexes: Synthesis, Structural Characterization, and Redox Transformation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08803","","x-ray","0.71073","MoKα","","0.0299","0.029","","","0.0626","0.0629","","","","","","1.265","","","","has coordinates","201258","2020-10-21","18:00:00",""
"4126460","7.4837","0.0003","13.6649","0.0006","9.4899","0.0005","90","","108.138","0.005","90","","922.25","0.08","180","0.2","180","0.2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H27 Cu I P3 -","- C9 H27 Cu I P3 -","- C18 H54 Cu2 I2 P6 -","2","0.5","","Liu, Liang; Zhu, Miaomiao; Yu, Hai-Tao; Zhang, Wen-Xiong; Xi, Zhenfeng","Organocopper(III) Spiro Complexes: Synthesis, Structural Characterization, and Redox Transformation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08803","","x-ray","0.71073","MoKα","","0.0247","0.0237","","","0.063","0.0637","","","","","","1.068","","","","has coordinates,has disorder","201258","2020-10-21","18:00:00",""
"4126461","7.0375","0.0004","9.3775","0.0004","24.0033","0.0012","90","","97.139","0.003","90","","1571.8","0.14","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 N O3 -","- C7 H11 N O3 -","- C56 H88 N8 O24 -","8","2","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.0507","0.0398","","","0.1045","0.1074","","","","","","1.705","","","","has coordinates","201259","2020-10-21","18:00:00",""
"4126462","7.733","0.003","6.629","0.003","6.587","0.003","90","","90","","90","","337.7","0.3","100","","100","","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C4 H11 N O2 S -","- C4 H11 N O2 S -","- C8 H22 N2 O4 S2 -","2","0.5","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.0477","0.0347","","","0.066","0.0696","","","","","","1.02","","","","has coordinates","201260","2020-10-21","18:00:00",""
"4126463","7.5218","0.0005","12.0554","0.0006","18.3287","0.001","90","","90","","90","","1662.02","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C64 H96 N16 O16 -","8","1","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.05","0.0415","","","0.1107","0.1173","","","","","","1.071","","","","has coordinates","201261","2020-10-21","18:00:00",""
"4126464","10.3502","0.0005","12.3986","0.0005","10.665","0.0005","90","","114.106","0.002","90","","1249.26","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.0721","0.0461","","","0.1186","0.1331","","","","","","1.037","","","","has coordinates","201262","2020-10-21","18:00:00",""
"4126465","5.4402","0.0003","7.1156","0.0004","10.9891","0.0005","98.224","0.003","101.633","0.003","108.971","0.003","383.9","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H14 N2 O -","- C7 H14 N2 O -","- C14 H28 N4 O2 -","2","1","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.0442","0.0353","","","0.0949","0.1","","","","","","1.058","","","","has coordinates","201263","2020-10-21","18:00:00",""
"4126466","9.7978","0.0003","9.7978","0.0003","30.836","0.0009","90","","90","","90","","2960.16","0.15","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C11 H23 N O4 S -","- C11 H23 N O4 S -","- C88 H184 N8 O32 S8 -","8","1","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.0304","0.0279","","","0.0702","0.0718","","","","","","1.069","","","","has coordinates","201264","2020-10-21","18:00:00",""
"4126467","8.2736","0.0004","10.1225","0.0004","17.1621","0.0007","90","","90","","90","","1437.32","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","1.54178","CuKα","","0.0316","0.0295","","","0.0705","0.0719","","","","","","1.091","","","","has coordinates","201265","2020-10-21","18:00:00",""
"4126468","22.4726","0.0011","7.5874","0.0004","10.1108","0.0005","90","","94.969","0.003","90","","1717.5","0.15","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C64 H104 N8 O24 -","8","1","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.0401","0.0319","","","0.0906","0.0957","","","","","","1.082","","","","has coordinates","201266","2020-10-21","18:00:00",""
"4126469","15.0567","0.0006","15.0567","0.0006","7.3781","0.0003","90","","90","","90","","1672.65","0.12","100","2","100","2","","","","","","","","4","I 4","I 4","79","","","","- C6 H14 Cl N -","- C6 H14 Cl N -","- C48 H112 Cl8 N8 -","8","1","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.0338","0.0277","","","0.049","0.0506","","","","","","1.075","","","","has coordinates","201267","2020-10-21","18:00:00",""
"4126470","11.9551","0.0007","10.7898","0.0007","12.9431","0.0009","90","","114.629","0.002","90","","1517.68","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13.97 H17.97 I0.03 N2 O7.94 -","- C13.968 H17.968 I0.032 N2 O7.936 -","- C55.872 H71.872 I0.128 N8 O31.744 -","4","1","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.0851","0.0566","","","0.1448","0.154","","","","","","1.054","","","","has coordinates,has disorder","201268","2020-10-21","18:00:00",""
"4126471","7.2061","0.0003","10.2681","0.0005","22.5477","0.001","90","","94.415","0.002","90","","1663.42","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H20 N2 O6 S -","- C14 H20 N2 O6 S -","- C56 H80 N8 O24 S4 -","4","2","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","1.54178","CuKα","","0.0358","0.0338","","","0.0802","0.0812","","","","","","1.02","","","","has coordinates","201269","2020-10-21","18:00:00",""
"4126472","12.712","0.0004","5.4745","0.0002","12.941","0.0004","90","","105.17","0.0012","90","","869.21","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C32 H52 N4 O12 -","4","2","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","1.54178","CuKα","","0.0288","0.0268","","","0.0676","0.0689","","","","","","1.047","","","","has coordinates","201270","2020-10-21","18:00:00",""
"4126473","10.4844","0.0003","11.3186","0.0003","12.8247","0.0003","90","","110.217","0.001","90","","1428.13","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H23 N O4 S -","- C11 H23 N O4 S -","- C44 H92 N4 O16 S4 -","4","2","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.0547","0.036","","","0.0752","0.0793","","","","","","1.029","","","","has coordinates","201271","2020-10-21","18:00:00",""
"4126474","18.7656","0.0013","41.726","0.003","14.4668","0.001","90","","90","","90","","11327.7","1.4","100","2","100","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","N,N'-((11bS,11b'S)-azanediylbis(2,6-bis(3,5-bis(pentafluoro- 1^6^-sulfanyl)phenyl)-41^5^-dinaphtho[2,1-d:1',2'- f][1,3,2]dioxaphosphepine-4-yl-4-ylidene))bis(1,1,1- trifluoromethanesulfonamide) dichloromethane hexane solute","","- C83.2 H33 Cl3.8 F44.8 N3 O7.2 P2 S10 -","- C83.2 H33 Cl3.8 F44.8 N3 O7.2 P2 S10 -","- C332.8 H132 Cl15.2 F179.2 N12 O28.8 P8 S40 -","4","1","","Liu, Luping; Kim, Hyejin; Xie, Youwei; Farès, Christophe; Kaib, Philip S. J.; Goddard, Richard; List, Benjamin","Catalytic Asymmetric [4+2]-Cycloaddition of Dienes with Aldehydes","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08357","","","1.54178","Cu-Kα","","0.0785","0.0674","","","0.1847","0.192","","","","","","1.513","","","","has coordinates,has disorder","201272","2020-10-21","18:00:00",""
"4126475","6.836","0.002","11.5511","0.0009","15.3107","0.0009","90","","90","","90","","1209","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-2-(4-bromophenyl)-4,5-dimethyl-3,6-dihydro-2H-pyran","","- C13 H15 Br O -","- C13 H15 Br O -","- C52 H60 Br4 O4 -","4","1","","Liu, Luping; Kim, Hyejin; Xie, Youwei; Farès, Christophe; Kaib, Philip S. J.; Goddard, Richard; List, Benjamin","Catalytic Asymmetric [4+2]-Cycloaddition of Dienes with Aldehydes","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08357","","","0.71073","MoKα","","0.022","0.0203","","","0.0521","0.053","","","","","","1.109","","","","has coordinates","201273","2020-10-21","18:00:00",""
"4126476","9.016","0.007","10.118","0.008","13.759","0.01","92.246","0.009","90.542","0.011","103.13","0.015","1221.2","1.6","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 Co N2 O4 -","- C22 H12 Co N2 O4 -","- C44 H24 Co2 N4 O8 -","2","1","","Fujiwara, Yu-Ichi; Kadota, Kentaro; Nagarkar, Sanjog S.; Tobori, Prof Norio; Kitagawa, Susumu; Horike, Satoshi","Synthesis of Oligodiacetylene Derivatives from Flexible Porous Coordination Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07699","","","0.71075","MoKα","","0.0677","0.0532","","","0.1292","0.1371","","","","","","1.041","","","","has coordinates","201274","2020-10-21","18:00:00",""
"4126477","9.022","0.004","12.603","0.006","13.67","0.006","93.062","0.011","90.971","0.01","101.218","0.009","1521.9","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 N4 O7 Zn -","- C33 H32 N4 O7 Zn -","- C66 H64 N8 O14 Zn2 -","2","1","","Fujiwara, Yu-Ichi; Kadota, Kentaro; Nagarkar, Sanjog S.; Tobori, Prof Norio; Kitagawa, Susumu; Horike, Satoshi","Synthesis of Oligodiacetylene Derivatives from Flexible Porous Coordination Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07699","","","0.71075","MoKα","","0.1545","0.0945","","","0.2091","0.2472","","","","","","1.057","","","","has coordinates","201275","2020-10-21","18:00:00",""
"4126478","9.215","0.004","10.116","0.004","13.616","0.006","87.602","0.017","88.566","0.016","77.818","0.009","1239.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 Cu N2 O4 -","- C22 H12 Cu N2 O4 -","- C44 H24 Cu2 N4 O8 -","2","1","","Fujiwara, Yu-Ichi; Kadota, Kentaro; Nagarkar, Sanjog S.; Tobori, Prof Norio; Kitagawa, Susumu; Horike, Satoshi","Synthesis of Oligodiacetylene Derivatives from Flexible Porous Coordination Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07699","","","0.71075","MoKα","","0.0623","0.0513","","","0.136","0.1449","","","","","","1.048","","","","has coordinates","201276","2020-10-21","18:00:00",""
"4126479","9.129","0.009","10.152","0.009","13.569","0.012","91.57","0.02","91.435","0.018","102.99","0.02","1224","2","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 N2 O4 Zn -","- C22 H12 N2 O4 Zn -","- C44 H24 N4 O8 Zn2 -","2","1","","Fujiwara, Yu-Ichi; Kadota, Kentaro; Nagarkar, Sanjog S.; Tobori, Prof Norio; Kitagawa, Susumu; Horike, Satoshi","Synthesis of Oligodiacetylene Derivatives from Flexible Porous Coordination Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07699","","","0.71075","MoKα","","0.2282","0.1236","","","0.2725","0.3269","","","","","","1.313","","","","has coordinates","201277","2020-10-21","18:00:00",""
"4126480","9.012","0.008","10.126","0.009","13.799","0.012","92.606","0.012","90.37","0.017","102.78","0.02","1226.6","1.9","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 N2 O4 Zn -","- C22 H12 N2 O4 Zn -","- C44 H24 N4 O8 Zn2 -","2","1","","Fujiwara, Yu-Ichi; Kadota, Kentaro; Nagarkar, Sanjog S.; Tobori, Prof Norio; Kitagawa, Susumu; Horike, Satoshi","Synthesis of Oligodiacetylene Derivatives from Flexible Porous Coordination Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07699","","","0.71075","MoKα","","0.0654","0.0594","","","0.1783","0.1933","","","","","","0.833","","","","has coordinates","201278","2020-10-21","18:00:00",""
"4126481","16.3878","0.0004","16.6254","0.0004","22.655","0.0006","90","","90","","90","","6172.4","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H37 Cl2 N3 Ru -","- C33 H37 Cl2 N3 Ru -","- C264 H296 Cl16 N24 Ru8 -","8","1","","Walsh, Dylan J.; Lau, Sii Hong; Hyatt, Michael G.; Guironnet, Damien","Kinetic Study of Living Ring-Opening Metathesis Polymerization with Third-Generation Grubbs Catalysts","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08010","","","0.71073","MoKα","","0.0393","0.0313","","","0.0715","0.0756","","","","","","1.032","","","","has coordinates,has disorder","201279","2020-10-21","18:00:00",""
"4126482","7.3208","0.0006","18.2693","0.0018","15.3665","0.0013","90","","99.887","0.005","90","","2024.7","0.3","223.15","","223.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N3 O7 Re -","- C18 H18 N3 O7 Re -","- C72 H72 N12 O28 Re4 -","4","1","","Knopf, Kevin M.; Murphy, Brendan L.; MacMillan, Samantha N.; Baskin, Jeremy M.; Barr, Martin P.; Boros, Eszter; Wilson, Justin J.","In Vitro Anticancer Activity and in Vivo Biodistribution of Rhenium(I) Tricarbonyl Aqua Complexes","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08640","","","0.71073","MoKα","","0.038","0.0305","","","0.0688","0.0722","","","","","","1.094","","","","has coordinates","201311","2020-10-21","18:00:00",""
"4126483","9.9967","0.0007","17.2578","0.0012","12.1669","0.0009","90","","97.033","0.003","90","","2083.3","0.3","223","2","223.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 B0.93 Cl0.07 F3.73 N3 O5 Re -","- C17 H15 B0.932 Cl0.068 F3.728 N3 O5 Re -","- C68 H60 B3.728 Cl0.272 F14.912 N12 O20 Re4 -","4","1","","Knopf, Kevin M.; Murphy, Brendan L.; MacMillan, Samantha N.; Baskin, Jeremy M.; Barr, Martin P.; Boros, Eszter; Wilson, Justin J.","In Vitro Anticancer Activity and in Vivo Biodistribution of Rhenium(I) Tricarbonyl Aqua Complexes","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08640","","","0.71073","MoKα","","0.0259","0.0202","","","0.0426","0.0444","","","","","","1.034","","","","has coordinates,has disorder","201311","2020-10-21","18:00:00",""
"4126484","9.3515","0.0008","9.5031","0.0008","13.1788","0.0011","74.264","0.004","89.405","0.004","85.789","0.004","1124.18","0.17","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H12 F3 N2 O10 Re S -","- C18 H12 F3 N2 O10 Re S -","- C36 H24 F6 N4 O20 Re2 S2 -","2","1","","Knopf, Kevin M.; Murphy, Brendan L.; MacMillan, Samantha N.; Baskin, Jeremy M.; Barr, Martin P.; Boros, Eszter; Wilson, Justin J.","In Vitro Anticancer Activity and in Vivo Biodistribution of Rhenium(I) Tricarbonyl Aqua Complexes","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08640","","","0.71073","MoKα","","0.0216","0.0198","","","0.0436","0.0443","","","","","","1.097","","","","has coordinates","201311","2020-10-21","18:00:00",""
"4126485","8.7357","0.0005","11.469","0.0007","12.1592","0.0007","64.877","0.003","88.601","0.002","75.881","0.002","1065.31","0.11","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H14 F3 N2 O7 Re S -","- C18 H14 F3 N2 O7 Re S -","- C36 H28 F6 N4 O14 Re2 S2 -","2","1","","Knopf, Kevin M.; Murphy, Brendan L.; MacMillan, Samantha N.; Baskin, Jeremy M.; Barr, Martin P.; Boros, Eszter; Wilson, Justin J.","In Vitro Anticancer Activity and in Vivo Biodistribution of Rhenium(I) Tricarbonyl Aqua Complexes","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08640","","","0.71073","MoKα","","0.0308","0.0261","","","0.0622","0.0642","","","","","","1.064","","","","has coordinates","201311","2020-10-21","18:00:00",""
"4126486","12.275","0.004","7.969","0.002","23.509","0.007","90","","93.269","0.003","90","","2295.9","1.2","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl F6 N4 O3 P Re -","- C19 H17 Cl F6 N4 O3 P Re -","- C76 H68 Cl4 F24 N16 O12 P4 Re4 -","4","1","","Sung, Siyoung; Kumar, Davinder; Gil-Sepulcre, Marcos; Nippe, Michael","Electrocatalytic CO2 Reduction by Imidazolium-Functionalized Molecular Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07709","","","0.71073","MoKα","","0.0365","0.0332","","","0.0773","0.0789","","","","","","1.088","","","","has coordinates,has disorder","201375","2020-10-21","18:00:00",""
"4126487","24.139","0.005","7.2702","0.0014","13.564","0.003","90","","96.275","0.01","90","","2366.2","0.9","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl F6 N4 O3 P Re -","- C20 H19 Cl F6 N4 O3 P Re -","- C80 H76 Cl4 F24 N16 O12 P4 Re4 -","4","1","","Sung, Siyoung; Kumar, Davinder; Gil-Sepulcre, Marcos; Nippe, Michael","Electrocatalytic CO2 Reduction by Imidazolium-Functionalized Molecular Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07709","","","0.71073","MoKα","","0.0715","0.0419","","","0.0967","0.1186","","","","","","1.058","","","","has coordinates","201376","2020-10-21","18:00:00",""
"4126488","11.4756","0.0003","12.1783","0.0003","17.3054","0.0005","82.947","0.001","81.975","0.002","64.991","0.001","2164.78","0.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H61.5 B Cl Fe N6 -","- C43.5 H61.5 B Cl Fe N6 -","- C87 H123 B2 Cl2 Fe2 N12 -","2","1","","Martinez, Jorge L.; Lin, Hsiu-Jung; Lee, Wei-Tsung; Pink, Maren; Chen, Chun-Hsing; Gao, Xinfeng; Dickie, Diane A.; Smith, Jeremy M.","Cyanide Ligand Assembly by Carbon Atom Transfer to an Iron Nitride.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08704","","","0.71073","MoKα","","0.0499","0.0431","","0.1175","0.1102","0.1175","","","","","","0.9964","","","","has coordinates,has disorder","201377","2020-10-21","18:00:00",""
"4126489","10.302","0.002","10.302","0.002","19.677","0.004","90","","90","","120","","1808.6","0.6","100","2","100","2","","","","","","","","5","P -3","-P 3","147","WTL-67","","","- C33 H50 B Fe N7 -","- C33.0001 H50.0001 B Fe N7 -","- C66.0002 H100 B2 Fe2 N14 -","2","0.333333","","Martinez, Jorge L.; Lin, Hsiu-Jung; Lee, Wei-Tsung; Pink, Maren; Chen, Chun-Hsing; Gao, Xinfeng; Dickie, Diane A.; Smith, Jeremy M.","Cyanide Ligand Assembly by Carbon Atom Transfer to an Iron Nitride.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08704","","","0.71073","MoKα","","0.1633","0.0848","","","0.1987","0.2492","","","","","","0.996","","","","has coordinates","201377","2020-10-21","18:00:00",""
"4126490","16.3404","0.0008","19.2823","0.001","18.4178","0.001","90","","103.287","0.002","90","","5647.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H90 B Fe N11 O1.5 -","- C55 H90 B Fe N11 O1.5 -","- C220 H360 B4 Fe4 N44 O6 -","4","1","","Martinez, Jorge L.; Lin, Hsiu-Jung; Lee, Wei-Tsung; Pink, Maren; Chen, Chun-Hsing; Gao, Xinfeng; Dickie, Diane A.; Smith, Jeremy M.","Cyanide Ligand Assembly by Carbon Atom Transfer to an Iron Nitride.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08704","","","0.71073","MoKα","","0.0574","0.0417","","","0.1005","0.1087","","","","","","1.031","","","","has coordinates,has disorder","201377","2020-10-21","18:00:00",""
"4126491","16.3579","0.0008","19.2761","0.001","18.4105","0.0009","90","","103.274","0.003","90","","5650","0.5","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H86 B Fe N9 O2 -","- C54 H86 B Fe N9 O2 -","- C216 H344 B4 Fe4 N36 O8 -","4","1","","Martinez, Jorge L.; Lin, Hsiu-Jung; Lee, Wei-Tsung; Pink, Maren; Chen, Chun-Hsing; Gao, Xinfeng; Dickie, Diane A.; Smith, Jeremy M.","Cyanide Ligand Assembly by Carbon Atom Transfer to an Iron Nitride.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08704","","","0.71073","MoKα","","0.0527","0.0407","","0.1139","0.1041","0.1139","","","","","","1.0023","","","","has coordinates","201377","2020-10-21","18:00:00",""
"4126492","27.7197","0.0007","13.8984","0.0003","19.1919","0.0005","90","","90.011","0.002","90","","7393.9","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H58 As4 Fe2 -","- C34 H58 As4 Fe2 -","- C272 H464 As32 Fe16 -","8","1","","Schmidt, Monika; Seitz, Andreas E.; Eckhardt, Maria; Balázs, Gábor; Peresypkina, Eugenia V.; Virovets, Alexander V.; Riedlberger, Felix; Bodensteiner, Michael; Zolnhofer, Eva M.; Meyer, Karsten; Scheer, Manfred","Transfer Reagent for Bonding Isomers of Iron Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07354","","","1.54178","CuKα","","0.038","0.0375","","","0.0941","0.0944","","","","","","1.178","","","","has coordinates","201457","2020-10-21","18:00:00",""
"4126493","31.10717","0.00018","22.29586","0.00014","19.62199","0.00012","90","","90","","90","","13609","0.14","122.8","0.7","122.8","0.7","","","","","","","","7","P n c 2","P 2 -2bc","30","","","","- C80.5 H71 As5 B Cl F4 Fe2 -","- C80.5 H71 As5 B Cl F4 Fe2 -","- C644 H568 As40 B8 Cl8 F32 Fe16 -","8","2","","Schmidt, Monika; Seitz, Andreas E.; Eckhardt, Maria; Balázs, Gábor; Peresypkina, Eugenia V.; Virovets, Alexander V.; Riedlberger, Felix; Bodensteiner, Michael; Zolnhofer, Eva M.; Meyer, Karsten; Scheer, Manfred","Transfer Reagent for Bonding Isomers of Iron Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07354","","x-ray","1.54178","CuKα","","0.0258","0.0238","","","0.0584","0.0589","","","","","","0.999","","","","has coordinates,has disorder","287897","2023-11-30","16:40:40",""
"4126494","10.4713","0.0001","18.766","0.0002","21.9729","0.0002","90","","90","","90","","4317.77","0.07","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H63 As5 Zr2 -","- C39 H63 As5 Zr2 -","- C156 H252 As20 Zr8 -","4","1","","Schmidt, Monika; Seitz, Andreas E.; Eckhardt, Maria; Balázs, Gábor; Peresypkina, Eugenia V.; Virovets, Alexander V.; Riedlberger, Felix; Bodensteiner, Michael; Zolnhofer, Eva M.; Meyer, Karsten; Scheer, Manfred","Transfer Reagent for Bonding Isomers of Iron Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07354","","x-ray","1.54178","CuKα","","0.0221","0.0204","","","0.0462","0.0466","","","","","","0.99","","","","has coordinates","201459","2020-10-21","18:00:00",""
"4126495","10.03997","0.00019","31.678","0.0005","19.6456","0.0004","90","","94.0053","0.0017","90","","6232.9","0.2","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H70 As4 Fe2 -","- C80 H70 As4 Fe2 -","- C320 H280 As16 Fe8 -","4","1","","Schmidt, Monika; Seitz, Andreas E.; Eckhardt, Maria; Balázs, Gábor; Peresypkina, Eugenia V.; Virovets, Alexander V.; Riedlberger, Felix; Bodensteiner, Michael; Zolnhofer, Eva M.; Meyer, Karsten; Scheer, Manfred","Transfer Reagent for Bonding Isomers of Iron Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07354","","x-ray","1.54184","CuKα","","0.0395","0.0351","","","0.096","0.0999","","","","","","1.057","","","","has coordinates","201460","2020-10-21","18:00:00",""
"4126496","14.598","0.0002","13.8302","0.0002","18.4082","0.0003","90","","102.137","0.002","90","","3633.42","0.1","123","0.2","123","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C136 H232 As16 Fe8 -","- C136 H232 As16 Fe8 -","- C136 H232 As16 Fe8 -","1","0.25","","Schmidt, Monika; Seitz, Andreas E.; Eckhardt, Maria; Balázs, Gábor; Peresypkina, Eugenia V.; Virovets, Alexander V.; Riedlberger, Felix; Bodensteiner, Michael; Zolnhofer, Eva M.; Meyer, Karsten; Scheer, Manfred","Transfer Reagent for Bonding Isomers of Iron Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07354","","","1.54178","CuKα","","0.0406","0.0371","","","0.1099","0.1119","","","","","","1.038","","","","has coordinates","201461","2020-10-21","18:00:00",""
"4126497","14.4698","0.0006","13.3487","0.0005","16.8563","0.0008","90","","114.728","0.005","90","","2957.3","0.2","123","0.2","123","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 As4 Zr -","- C26 H42 As4 Zr -","- C104 H168 As16 Zr4 -","4","1","","Schmidt, Monika; Seitz, Andreas E.; Eckhardt, Maria; Balázs, Gábor; Peresypkina, Eugenia V.; Virovets, Alexander V.; Riedlberger, Felix; Bodensteiner, Michael; Zolnhofer, Eva M.; Meyer, Karsten; Scheer, Manfred","Transfer Reagent for Bonding Isomers of Iron Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07354","","x-ray","0.71073","MoKα","","0.0411","0.0248","","","0.0452","0.0466","","","","","","0.877","","","","has coordinates,has disorder","201462","2020-10-21","18:00:00",""
"4126498","6.4883","0.0004","15.1483","0.001","13.0405","0.0009","90","","97.214","0.002","90","","1271.56","0.14","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C5 H2 Ag F6 Fe O6 Sb -","- C5 H2 Ag F6 Fe O6 Sb -","- C20 H8 Ag4 F24 Fe4 O24 Sb4 -","4","1","","Wang, Guocang; Ceylan, Yavuz S.; Cundari, Thomas R.; Dias, H. V. Rasika","Heterobimetallic Silver‒Iron Complexes Involving Fe(CO)5 Ligands","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08595","","","0.71073","MoKα","","0.0467","0.0463","","","0.1269","0.1271","","","","","","1.298","","","","has coordinates,has disorder","201464","2020-10-21","18:00:00",""
"4126499","23.7843","0.0011","13.406","0.0006","17.1448","0.0014","90","","132.317","0.001","90","","4042.2","0.4","103","2","102.68","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H12 Ag B F24 Fe O5 -","- C37 H12 Ag B F24 Fe O5 -","- C148 H48 Ag4 B4 F96 Fe4 O20 -","4","0.5","","Wang, Guocang; Ceylan, Yavuz S.; Cundari, Thomas R.; Dias, H. V. Rasika","Heterobimetallic Silver‒Iron Complexes Involving Fe(CO)5 Ligands","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08595","","","0.71073","MoKα","","0.0335","0.0293","","","0.0774","0.0801","","","","","","1.049","","","","has coordinates","201464","2020-10-21","18:00:00",""
"4126500","12.6321","0.0004","14.4148","0.0005","14.8557","0.0005","80.642","0.001","75.059","0.001","84.106","0.001","2573.58","0.15","100","2","99.96","","","","","","","","","8","P -1","-P 1","2","","","","- C49 H24 Ag B F24 Fe N2 O5 -","- C49 H24 Ag B F24 Fe N2 O5 -","- C98 H48 Ag2 B2 F48 Fe2 N4 O10 -","2","1","","Wang, Guocang; Ceylan, Yavuz S.; Cundari, Thomas R.; Dias, H. V. Rasika","Heterobimetallic Silver‒Iron Complexes Involving Fe(CO)5 Ligands","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08595","","","0.71073","MoKα","","0.0427","0.0362","","","0.0891","0.0936","","","","","","1.02","","","","has coordinates,has disorder","201464","2020-10-21","18:00:00",""
"4126501","14.3046","0.0005","17.179","0.0006","21.7859","0.0009","90","","108.165","0.001","90","","5086.8","0.3","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H12 Ag B F24 Fe2 O10 -","- C42 H12 Ag B F24 Fe2 O10 -","- C168 H48 Ag4 B4 F96 Fe8 O40 -","4","0.5","","Wang, Guocang; Ceylan, Yavuz S.; Cundari, Thomas R.; Dias, H. V. Rasika","Heterobimetallic Silver‒Iron Complexes Involving Fe(CO)5 Ligands","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08595","","","0.71073","MoKα","","0.0386","0.0311","","","0.0765","0.0803","","","","","","1.024","","","","has coordinates,has disorder","201464","2020-10-21","18:00:00",""
"4126502","12.3286","0.0007","18.3683","0.001","22.2169","0.0013","90","","90.517","0.002","90","","5030.9","0.5","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 Ag B F24 O3 -","- C44 H42 Ag B F24 O3 -","- C176 H168 Ag4 B4 F96 O12 -","4","1","","Wang, Guocang; Ceylan, Yavuz S.; Cundari, Thomas R.; Dias, H. V. Rasika","Heterobimetallic Silver‒Iron Complexes Involving Fe(CO)5 Ligands","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08595","","","0.71073","MoKα","","0.0638","0.0441","","","0.0976","0.1053","","","","","","1.064","","","","has coordinates,has disorder","201464","2020-10-21","18:00:00",""
"4126503","24.7661","0.0008","9.2289","0.0003","34.1516","0.0012","90","","94.993","0.001","90","","7776.2","0.4","100","2","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H78 Ag B F24 P2 -","- C86 H78 Ag B F24 P2 -","- C344 H312 Ag4 B4 F96 P8 -","4","0.5","","Wang, Guocang; Ceylan, Yavuz S.; Cundari, Thomas R.; Dias, H. V. Rasika","Heterobimetallic Silver‒Iron Complexes Involving Fe(CO)5 Ligands","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08595","","","0.71073","MoKα","","0.0525","0.0384","","","0.0864","0.0931","","","","","","1.025","","","","has coordinates,has disorder","201464","2020-10-21","18:00:00",""
"4126504","22.8068","0.0009","12.1904","0.0004","21.0805","0.0007","90","","115.75","0.005","90","","5278.9","0.4","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cl2 Co4 N8 O22 -","- C48 H46 Cl2 Co4 N8 O22 -","- C192 H184 Cl8 Co16 N32 O88 -","4","0.5","","Song, Fangyuan; Moré, René; Schilling, Mauro; Smolentsev, Grigory; Azzaroli, Nicolo; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","{Co4O4} and {CoxNi4-xO4} Cubane Water Oxidation Catalysts as Surface Cut-Outs of Cobalt Oxides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07361","","x-ray","0.71073","MoKα","","0.0702","0.0589","","","0.149","0.1585","","","","","","1.048","","","","has coordinates,has disorder","201465","2020-10-21","18:00:00",""
"4126505","8.5558","0.0004","22.537","0.0009","7.9861","0.0003","90","","90","","90","","1539.9","0.11","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Farndon, Joshua J.; Ma, Xiaofeng; Bower, John F.","Transition Metal Free C-N Bond Forming Dearomatizations and Aryl C-H Aminations by in Situ Release of a Hydroxylamine-Based Aminating Agent.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07830","","","0.71073","MoKα","","0.0486","0.0435","","","0.1044","0.1077","","","","","","1.033","","","","has coordinates","201466","2020-10-21","18:00:00",""
"4126506","6.5617","0.0001","7.0318","0.0001","24.2004","0.0005","90","","90","","90","","1116.62","0.03","100","","100.03","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","","Farndon, Joshua J.; Ma, Xiaofeng; Bower, John F.","Transition Metal Free C-N Bond Forming Dearomatizations and Aryl C-H Aminations by in Situ Release of a Hydroxylamine-Based Aminating Agent.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07830","","","0.71073","MoKα","","0.036","0.0348","","","0.0915","0.0925","","","","","","1.08","","","","has coordinates","201467","2020-10-21","18:00:00",""
"4126507","8.8736","0.0004","11.8772","0.0006","9.0661","0.0005","90","","91.943","0.003","90","","954.96","0.08","100","","99.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O -","- C11 H15 N O -","- C44 H60 N4 O4 -","4","1","","Farndon, Joshua J.; Ma, Xiaofeng; Bower, John F.","Transition Metal Free C-N Bond Forming Dearomatizations and Aryl C-H Aminations by in Situ Release of a Hydroxylamine-Based Aminating Agent.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07830","","","0.71073","MoKα","","0.0497","0.0407","","","0.1119","0.1181","","","","","","1.068","","","","has coordinates","201468","2020-10-21","18:00:00",""
"4126508","6.4616","0.0001","10.9738","0.0002","20.6916","0.0005","90","","98.331","0.001","90","","1451.72","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Farndon, Joshua J.; Ma, Xiaofeng; Bower, John F.","Transition Metal Free C-N Bond Forming Dearomatizations and Aryl C-H Aminations by in Situ Release of a Hydroxylamine-Based Aminating Agent.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07830","","","0.71073","MoKα","","0.062","0.0439","","","0.1014","0.1104","","","","","","1.026","","","","has coordinates","201469","2020-10-21","18:00:00",""
"4126509","22.6991","0.0012","13.8494","0.0007","25.4751","0.0012","90","","103.819","0.002","90","","7776.8","0.7","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PPNLGaNiH","","","- C75 H90 Ga N5 Ni P5 -","- C75 H90 Ga N5 Ni P5 -","- C300 H360 Ga4 N20 Ni4 P20 -","4","1","","Cammarota, Ryan C.; Vollmer, Matthew V.; Xie, Jing; Ye, Jingyun; Linehan, John C.; Burgess, Samantha A.; Appel, Aaron M.; Gagliardi, Laura; Lu, Connie C.","A bimetallic nickel-gallium complex catalyzes CO2 hydrogenation via the intermediacy of an anionic d(10) nickel hydride.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07911","","","0.71073","MoKα","","0.0874","0.0601","","","0.1516","0.1638","","","","","","1.127","","","","has coordinates,has disorder","201470","2020-10-21","18:00:00",""
"4126510","11.2791","0.0006","15.7374","0.001","20.7033","0.0013","100.669","0.002","105.203","0.002","92.85","0.002","3466.2","0.4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","[LGaNi(CO2H)][PPN]","","","- C76 H91 Ga N5 Ni O2 P5 -","- C76 H91 Ga N5 Ni O2 P5 -","- C152 H182 Ga2 N10 Ni2 O4 P10 -","2","1","","Cammarota, Ryan C.; Vollmer, Matthew V.; Xie, Jing; Ye, Jingyun; Linehan, John C.; Burgess, Samantha A.; Appel, Aaron M.; Gagliardi, Laura; Lu, Connie C.","A bimetallic nickel-gallium complex catalyzes CO2 hydrogenation via the intermediacy of an anionic d(10) nickel hydride.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07911","","","0.71073","MoKα","","0.0859","0.0576","","","0.134","0.154","","","","","","1.027","","","","has coordinates,has disorder","201471","2020-10-21","18:00:00",""
"4126511","9.467","0.002","6.3083","0.0012","14.775","0.003","90","","115.242","0.01","90","","798.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Bi Cu2 O10 S Se -","- Bi Cu2 O10 S Se -","- Bi4 Cu8 O40 S4 Se4 -","4","1","","Tang, Yingying; Peng, Cheng; Guo, Wenbin; Wang, Jun-Feng; Su, Gang; He, Zhangzhen","The Octa-Kagomé Lattice Compounds Showing Quantum Critical Behaviors: Spin Gap Ground State versus Antiferromagnetic Ordering.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09246","","","0.71073","MoKα","","0.0381","0.0351","","","0.0802","0.081","","","","","","1.045","","","","has coordinates","201526","2020-10-21","18:00:00",""
"4126512","9.591","0.005","6.323","0.003","15.092","0.006","90","","115.38","0.02","90","","826.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Bi Cu2 H3 O10 S Te -","- Bi Cu2 H3 O10 S Te -","- Bi4 Cu8 H12 O40 S4 Te4 -","4","1","","Tang, Yingying; Peng, Cheng; Guo, Wenbin; Wang, Jun-Feng; Su, Gang; He, Zhangzhen","The Octa-Kagomé Lattice Compounds Showing Quantum Critical Behaviors: Spin Gap Ground State versus Antiferromagnetic Ordering.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09246","","","0.71073","MoKα","","0.0301","0.0253","","","0.0527","0.0549","","","","","","1.067","","","","has coordinates","201527","2020-10-21","18:00:00",""
"4126513","10.2329","0.0004","12.5402","0.0005","17.1485","0.0007","87.71","0.002","74.122","0.002","76.856","0.002","2060.55","0.15","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 Cl2 O6 -","- C22 H22 Cl2 O6 -","- C88 H88 Cl8 O24 -","4","2","","Reichl, Kyle D.; Smith, Michael J.; Song, Min K.; Johnson, Richard P.; Porco, Jr, John A","Biomimetic Total Synthesis of (±)-Griffipavixanthone via a Cationic Cycloaddition-Cyclization Cascade.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09265","","","1.54178","CuKα","","0.0471","0.043","","","0.1187","0.1221","","","","","","1.064","","","","has coordinates,has disorder","201560","2020-10-21","18:00:00",""
"4126514","12.2832","0.0002","15.2387","0.0003","21.3416","0.00018","95.1708","0.0011","91.8275","0.0011","109.565","0.0017","3740.54","0.11","250.01","0.1","250.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72.64 H97.15 Cl Ga2 N4 P7 -","- C72.642 H97.148 Cl Ga2 N4 P7 -","- C145.284 H194.296 Cl2 Ga4 N8 P14 -","2","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0366","0.0332","","","0.0877","0.0914","","","","","","1.041","","","","has coordinates,has disorder","201605","2020-10-21","18:00:00",""
"4126515","12.266","0.00012","15.10853","0.00011","21.17044","0.00011","95.2742","0.0005","91.6816","0.0006","109.25","0.0008","3680.86","0.05","150.02","0.1","150.02","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72.64 H97.18 Cl Ga2 N4 P7 -","- C72.637 H97.178 Cl Ga2 N4 P7 -","- C145.274 H194.356 Cl2 Ga4 N8 P14 -","2","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0294","0.028","","","0.0714","0.0726","","","","","","1.017","","","","has coordinates,has disorder","201606","2020-10-21","18:00:00",""
"4126516","13.2249","0.0002","15.7757","0.0002","18.2072","0.0003","89.6385","0.0011","68.9491","0.0014","88.0122","0.0012","3542.88","0.1","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72 H100 Ga2 N4 O P6 -","- C72 H100 Ga2 N4 O P6 -","- C144 H200 Ga4 N8 O2 P12 -","2","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0591","0.0589","","","0.1375","0.1375","","","","","","1.33","","","","has coordinates,has disorder","201607","2020-10-21","18:00:00",""
"4126517","19.95431","0.00013","19.95431","0.00013","18.5098","0.0002","90","","90","","90","","7370.13","0.1","100","0.1","100","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H49 Ga N2 P4 -","- C36 H49 Ga N2 P4 -","- C288 H392 Ga8 N16 P32 -","8","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0314","0.0301","","","0.0789","0.08","","","","","","1.025","","","","has coordinates,has disorder","201608","2020-10-21","18:00:00",""
"4126518","8.5229","0.0019","8.5229","0.0019","7.178","0.002","90","","90","","120","","451.55","0.19","100","0.1","100","0.1","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- C Na O P -","- C Na O P -","- C6 Na6 O6 P6 -","6","0.5","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","0.71073","MoKα","","0.0869","0.0755","","","0.2004","0.2103","","","","","","1.185","","","","has coordinates","201609","2020-10-21","18:00:00",""
"4126519","39.9525","0.0009","14.816","0.0002","21.8877","0.0003","90","","100.248","0.0016","90","","12749.4","0.4","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H87 Ga2 N4 O0.5 P7 -","- C60 H87 Ga2 N4 O0.5 P7 -","- C480 H696 Ga16 N32 O4 P56 -","8","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0476","0.0408","","","0.1053","0.1113","","","","","","1.022","","","","has coordinates,has disorder","201610","2020-10-21","18:00:00",""
"4126520","12.2525","0.00016","15.0461","0.0002","21.1012","0.0002","95.3265","0.001","91.7036","0.001","109.04","0.0013","3653.9","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72.65 H97.12 Cl Ga2 N4 P7 -","- C72.647 H97.118 Cl Ga2 N4 P7 -","- C145.294 H194.236 Cl2 Ga4 N8 P14 -","2","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0279","0.0267","","","0.0678","0.0687","","","","","","1.022","","","","has coordinates,has disorder","201611","2020-10-21","18:00:00",""
"4126521","10.4528","0.0001","21.4367","0.0003","16.4206","0.0003","90","","106.539","0.002","90","","3527.19","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H86 Cl4 Ga2 N4 P12 -","- C60 H86 Cl4 Ga2 N4 P12 -","- C120 H172 Cl8 Ga4 N8 P24 -","2","0.5","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0407","0.0317","","","0.0826","0.0847","","","","","","1.026","","","","has coordinates","201612","2020-10-21","18:00:00",""
"4126522","13.0457","0.0003","14.2179","0.0005","23.0315","0.0006","76.66","0.003","88.072","0.002","69.876","0.003","3898","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C74 H114 Ga2 N4 Na O4 P7 -","- C74 H114 Ga2 N4 Na O4 P7 -","- C148 H228 Ga4 N8 Na2 O8 P14 -","2","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0727","0.0669","","","0.1836","0.1901","","","","","","1.092","","","","has coordinates,has disorder","201613","2020-10-21","18:00:00",""
"4126523","13.64428","0.00009","14.83342","0.0001","31.5549","0.0002","90","","90","","90","","6386.44","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C65 H90 Ga2 N4 P4.23 -","- C65 H90 Ga2 N4 P4.234 -","- C260 H360 Ga8 N16 P16.936 -","4","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.032","0.0319","","","0.0779","0.078","","","","","","1.091","","","","has coordinates,has disorder","201614","2020-10-21","18:00:00",""
"4126524","39.4235","0.0014","39.4235","0.0014","31.194","0.0006","90","","90","","120","","41987","2","100.01","0.1","100.01","0.1","","","","","","","","5","R -3","-R 3","148","","","","- C58 H82 Ga2 N4 P8 -","- C58 H82 Ga2 N4 P8 -","- C1044 H1476 Ga36 N72 P144 -","18","","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0973","0.0564","","","0.1418","0.1614","","","","","","0.996","","","","has coordinates,has disorder","201615","2020-10-21","18:00:00",""
"4126525","19.29945","0.00015","19.43507","0.00012","21.56961","0.00015","90","","97.9681","0.0007","90","","8012.35","0.1","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C65 H90 Ga2 N4 P20 -","- C65 H90 Ga2 N4 P20 -","- C260 H360 Ga8 N16 P80 -","4","0.5","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0407","0.0389","","","0.1003","0.1018","","","","","","1.031","","","","has coordinates,has disorder","201616","2020-10-21","18:00:00",""
"4126526","18.8363","0.0004","39.5996","0.0009","18.2132","0.0004","90","","93.7064","0.0018","90","","13557","0.5","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H88 Cl6 Ga2 N4 P4 -","- C61 H88 Cl6 Ga2 N4 P4 -","- C488 H704 Cl48 Ga16 N32 P32 -","8","2","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0983","0.0735","","","0.2035","0.2226","","","","","","1.092","","","","has coordinates","201617","2020-10-21","18:00:00",""
"4126527","13.45492","0.00019","15.7011","0.0002","18.1283","0.0003","89.443","0.0013","68.6438","0.0014","88.7141","0.0012","3565.86","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72 H99 Cl Ga2 N4 P6 -","- C72 H99 Cl Ga2 N4 P6 -","- C144 H198 Cl2 Ga4 N8 P12 -","2","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0404","0.04","","","0.0891","0.0893","","","","","","1.141","","","","has coordinates,has disorder","201618","2020-10-21","18:00:00",""
"4126528","12.29883","0.00016","15.2753","0.0002","21.4327","0.0002","95.1054","0.001","91.9061","0.001","109.661","0.0013","3768.15","0.08","300.01","0.1","300.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72.61 H97.32 Cl Ga2 N4 P7 -","- C72.614 H97.316 Cl Ga2 N4 P7 -","- C145.228 H194.632 Cl2 Ga4 N8 P14 -","2","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0408","0.0361","","","0.0982","0.1035","","","","","","1.042","","","","has coordinates,has disorder","201620","2020-10-21","18:00:00",""
"4126529","14.19345","0.00014","18.9626","0.0002","24.9591","0.0003","81.3033","0.0009","74.9836","0.0009","79.5858","0.0009","6342.7","0.12","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C61.5 H86 Ga2 N4 P6 -","- C61.5 H86 Ga2 N4 P6 -","- C246 H344 Ga8 N16 P24 -","4","2","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0256","0.0246","","","0.0637","0.0644","","","","","","1.033","","","","has coordinates,has disorder","201621","2020-10-21","18:00:00",""
"4126530","18.34458","0.00019","18.10118","0.00018","43.7739","0.0004","90","","92.7471","0.0008","90","","14518.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H82 Ga2 N4 P4 -","- C58 H82 Ga2 N4 P4 -","- C464 H656 Ga16 N32 P32 -","8","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0487","0.0463","","","0.1153","0.1171","","","","","","1.076","","","","has coordinates,has disorder","201622","2020-10-21","18:00:00",""
"4126531","13.4877","0.0008","20.2357","0.0009","25.9673","0.0019","90","","90","","90","","7087.3","0.7","100.01","0.1","100.01","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C59 H84 Cl2 Ga2 N4 P14 -","- C59 H84 Cl2 Ga2 N4 P14 -","- C236 H336 Cl8 Ga8 N16 P56 -","4","0.5","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.1079","0.0748","","","0.1805","0.2028","","","","","","1.043","","","","has coordinates,has disorder","201623","2020-10-21","18:00:00",""
"4126532","49.1449","0.0006","12.6868","0.0002","24.6372","0.0004","90","","94.906","0.001","90","","15304.8","0.4","100.01","0.1","100.01","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C70.5 H94 F6 Ga2 N5 O4 P6 S2 -","- C70.5 H94 F6 Ga2 N5 O4 P6 S2 -","- C564 H752 F48 Ga16 N40 O32 P48 S16 -","8","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0631","0.0601","","","0.1596","0.1613","","","","","","1.138","","","","has coordinates,has disorder","201624","2020-10-21","18:00:00",""
"4126533","12.27371","0.0002","15.1714","0.0003","21.2649","0.0003","95.2004","0.0014","91.6689","0.0012","109.493","0.0016","3709.95","0.12","200.02","0.1","200.02","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72.64 H97.2 Cl Ga2 N4 P7 -","- C72.633 H97.202 Cl Ga2 N4 P7 -","- C145.266 H194.404 Cl2 Ga4 N8 P14 -","2","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0313","0.0293","","","0.076","0.0778","","","","","","1.013","","","","has coordinates,has disorder","201625","2020-10-21","18:00:00",""
"4126534","10.7496","0.00008","10.45685","0.00007","14.96661","0.00011","90","","96.4915","0.0007","90","","1671.56","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H24 Na O7 P -","- C13 H24 Na O7 P -","- C52 H96 Na4 O28 P4 -","4","2","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0309","0.0304","","","0.0822","0.0827","","","","","","1.05","","","","has coordinates,has disorder","201626","2020-10-21","18:00:00",""
"4126535","16.4384","0.0002","17.9501","0.0004","22.3596","0.0004","70.7664","0.0016","81.2661","0.0012","75.7253","0.0014","6019.1","0.2","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C193 H282 Ga6 N12 P56 -","- C193 H282 Ga6 N12 P56 -","- C193 H282 Ga6 N12 P56 -","1","0.5","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0553","0.0468","","","0.1208","0.1279","","","","","","1.034","","","","has coordinates,has disorder","201627","2020-10-21","18:00:00",""
"4126536","13.1634","0.0002","15.5274","0.0002","18.2175","0.0003","89.8954","0.0012","69.1188","0.0014","88.7239","0.0012","3478.04","0.1","100.02","0.11","100.02","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C70 H96 Ga2 N4 O P6 -","- C70 H96 Ga2 N4 O P6 -","- C140 H192 Ga4 N8 O2 P12 -","2","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0402","0.0364","","","0.0868","0.0892","","","","","","1.043","","","","has coordinates,has disorder","201628","2020-10-21","18:00:00",""
"4126537","13.31652","0.00016","15.5916","0.0002","18.1014","0.0003","89.956","0.0012","68.6852","0.0013","89.3864","0.0011","3501.02","0.09","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H93 Cl F2 Ga2 N4 P6 -","- C70 H93 Cl F2 Ga2 N4 P6 -","- C140 H186 Cl2 F4 Ga4 N8 P12 -","2","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0475","0.0474","","","0.1088","0.1088","","","","","","1.29","","","","has coordinates,has disorder","201629","2020-10-21","18:00:00",""
"4126538","10.2156","0.0002","15.5486","0.0003","15.9803","0.0003","62.9694","0.0019","89.6719","0.0017","80.6194","0.0016","2224.02","0.08","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C88 H112 Ga2 N4 P12 -","- C88 H112 Ga2 N4 P12 -","- C88 H112 Ga2 N4 P12 -","1","0.5","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0474","0.0454","","","0.1261","0.1279","","","","","","1.118","","","","has coordinates","201630","2020-10-21","18:00:00",""
"4126539","21.95819","0.00019","17.83215","0.00013","17.44947","0.00015","90","","109.979","0.001","90","","6421.35","0.1","100","0.16","100","0.16","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H85 F3 Ga2 N4 O3 P6 S -","- C60 H85 F3 Ga2 N4 O3 P6 S -","- C240 H340 F12 Ga8 N16 O12 P24 S4 -","4","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0334","0.0325","","","0.0882","0.0893","","","","","","1.049","","","","has coordinates","201631","2020-10-21","18:00:00",""
"4126540","42.77468","0.00017","16.26254","0.00007","22.00113","0.00009","90","","91.7696","0.0004","90","","15297.2","0.11","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73.5 H100 Cl3 Ga2 N4 P7 -","- C73.5 H100 Cl3 Ga2 N4 P7 -","- C588 H800 Cl24 Ga16 N32 P56 -","8","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0352","0.0341","","","0.0926","0.0935","","","","","","1.052","","","","has coordinates,has disorder","201632","2020-10-21","18:00:00",""
"4126541","10.66659","0.00016","12.60752","0.00017","24.3781","0.0003","91.8537","0.0011","100.631","0.0012","108.423","0.0013","3042.46","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C59 H85 Cl Ga2 N4 P6 -","- C59 H85 Cl Ga2 N4 P6 -","- C118 H170 Cl2 Ga4 N8 P12 -","2","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0368","0.0326","","","0.08","0.0833","","","","","","1.028","","","","has coordinates","201633","2020-10-21","18:00:00",""
"4126542","18.63849","0.00019","21.16817","0.00016","20.1663","0.0002","90","","102.381","0.001","90","","7771.42","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66.87 H92.14 Ga2 N4 P16.93 -","- C66.869 H92.136 Ga2 N4 P16.932 -","- C267.476 H368.544 Ga8 N16 P67.728 -","4","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0435","0.0357","","","0.0897","0.0948","","","","","","1.015","","","","has coordinates,has disorder","201634","2020-10-21","18:00:00",""
"4126543","10.5072","0.0002","14.02953","0.00019","14.6568","0.0003","97.8684","0.0013","96.0384","0.0015","91.5449","0.0013","2126.48","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C80 H102 Ga2 N4 P12 -","- C80 H102 Ga2 N4 P12 -","- C80 H102 Ga2 N4 P12 -","1","0.5","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0565","0.0534","","","0.1577","0.1613","","","","","","1.087","","","","has coordinates,has disorder","201635","2020-10-21","18:00:00",""
"4126544","13.42003","0.00012","19.14839","0.00014","31.4694","0.0002","90","","93.2849","0.0007","90","","8073.47","0.11","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H98 As Cl7 Ga2 N4 P6 -","- C72.999 H97.998 As Cl6.998 Ga2 N4 P6 -","- C291.996 H391.992 As4 Cl27.992 Ga8 N16 P24 -","4","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.056","0.0546","","","0.1463","0.1474","","","","","","1.085","","","","has coordinates,has disorder","201636","2020-10-21","18:00:00",""
"4126545","7.0832","0.0002","7.1346","0.0002","16.2121","0.0005","95.809","0.001","90.058","0.001","119.765","0.001","706.3","0.04","300","2","300","","","","","","","","","5","P -1","-P 1","2","","","","- Cs3 F2 O10 Si4 Tb -","- Cs3 F2 O10 Si4 Tb -","- Cs6 F4 O20 Si8 Tb2 -","2","1","","Morrison, Gregory; Latshaw, Allison M.; Spagnuolo, Nicholas R.; Zur Loye, Hans-Conrad","Observation of Intense X-ray Scintillation in a Family of Mixed Anion Silicates, Cs3RESi4O10F2 (RE = Y, Eu-Lu), Obtained via an Enhanced Flux Crystal Growth Technique.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08559","","","0.71073","MoKα","","0.0196","0.0194","","","0.0465","0.0466","","","","","","1.135","","","","has coordinates","201637","2020-10-21","18:00:00",""
"4126546","7.057","0.0002","7.1102","0.0002","16.0629","0.0004","95.904","0.001","90.059","0.001","119.753","0.001","694.75","0.03","302","2","301.99","","","","","","","","","5","P -1","-P 1","2","","","","- Cs3 F2 O10 Si4 Yb -","- Cs3 F2 O10 Si4 Yb -","- Cs6 F4 O20 Si8 Yb2 -","2","1","","Morrison, Gregory; Latshaw, Allison M.; Spagnuolo, Nicholas R.; Zur Loye, Hans-Conrad","Observation of Intense X-ray Scintillation in a Family of Mixed Anion Silicates, Cs3RESi4O10F2 (RE = Y, Eu-Lu), Obtained via an Enhanced Flux Crystal Growth Technique.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08559","","","0.71073","MoKα","","0.023","0.0213","","","0.0449","0.0458","","","","","","1.1","","","","has coordinates","201638","2020-10-21","18:00:00",""
"4126547","7.078","0.0006","7.1138","0.0006","16.104","0.0012","95.807","0.003","90.018","0.003","119.799","0.003","698.83","0.1","302","2","302.01","","","","","","","","","5","P -1","-P 1","2","","","","- Cs3 F2 O10 Si4 Tm -","- Cs3 F2 O10 Si4 Tm -","- Cs6 F4 O20 Si8 Tm2 -","2","1","","Morrison, Gregory; Latshaw, Allison M.; Spagnuolo, Nicholas R.; Zur Loye, Hans-Conrad","Observation of Intense X-ray Scintillation in a Family of Mixed Anion Silicates, Cs3RESi4O10F2 (RE = Y, Eu-Lu), Obtained via an Enhanced Flux Crystal Growth Technique.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08559","","","0.71073","MoKα","","0.0511","0.046","","","0.1125","0.1156","","","","","","1.108","","","","has coordinates","201639","2020-10-21","18:00:00",""
"4126548","7.0761","0.0002","7.1256","0.0002","16.1502","0.0005","95.813","0.001","90.041","0.001","119.76","0.001","702.06","0.04","302","2","302.37","","","","","","","","","5","P -1","-P 1","2","","","","- Cs3 F2 Ho O10 Si4 -","- Cs3 F2 Ho O10 Si4 -","- Cs6 F4 Ho2 O20 Si8 -","2","1","","Morrison, Gregory; Latshaw, Allison M.; Spagnuolo, Nicholas R.; Zur Loye, Hans-Conrad","Observation of Intense X-ray Scintillation in a Family of Mixed Anion Silicates, Cs3RESi4O10F2 (RE = Y, Eu-Lu), Obtained via an Enhanced Flux Crystal Growth Technique.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08559","","","0.71073","MoKα","","0.031","0.0303","","","0.0748","0.0752","","","","","","1.081","","","","has coordinates","201640","2020-10-21","18:00:00",""
"4126549","7.067","0.0002","7.1177","0.0002","16.1206","0.0005","95.846","0.001","90.079","0.001","119.745","0.001","699.11","0.04","302","2","302","","","","","","","","","5","P -1","-P 1","2","","","","- Cs3 Er F2 O10 Si4 -","- Cs3 Er F2 O10 Si4 -","- Cs6 Er2 F4 O20 Si8 -","2","1","","Morrison, Gregory; Latshaw, Allison M.; Spagnuolo, Nicholas R.; Zur Loye, Hans-Conrad","Observation of Intense X-ray Scintillation in a Family of Mixed Anion Silicates, Cs3RESi4O10F2 (RE = Y, Eu-Lu), Obtained via an Enhanced Flux Crystal Growth Technique.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08559","","","0.71073","MoKα","","0.0201","0.0198","","","0.0475","0.0477","","","","","","1.116","","","","has coordinates","201641","2020-10-21","18:00:00",""
"4126550","7.0994","0.0003","7.1499","0.0003","16.2572","0.0007","95.699","0.001","90.149","0.001","119.744","0.001","711.67","0.05","300","2","300.1","","","","","","","","","5","P -1","-P 1","2","","","","- Cs3 F2 Gd O10 Si4 -","- Cs3 F2 Gd O10 Si4 -","- Cs6 F4 Gd2 O20 Si8 -","2","1","","Morrison, Gregory; Latshaw, Allison M.; Spagnuolo, Nicholas R.; Zur Loye, Hans-Conrad","Observation of Intense X-ray Scintillation in a Family of Mixed Anion Silicates, Cs3RESi4O10F2 (RE = Y, Eu-Lu), Obtained via an Enhanced Flux Crystal Growth Technique.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08559","","","0.71073","MoKα","","0.0366","0.0281","","","0.0491","0.0507","","","","","","1.137","","","","has coordinates","201642","2020-10-21","18:00:00",""
"4126551","7.0856","0.0002","7.136","0.0003","16.1856","0.0005","95.763","0.001","90.1","0.001","119.743","0.001","705.72","0.04","304","2","303.9","","","","","","","","","5","P -1","-P 1","2","","","","- Cs3 Dy F2 O10 Si4 -","- Cs3 Dy F2 O10 Si4 -","- Cs6 Dy2 F4 O20 Si8 -","2","1","","Morrison, Gregory; Latshaw, Allison M.; Spagnuolo, Nicholas R.; Zur Loye, Hans-Conrad","Observation of Intense X-ray Scintillation in a Family of Mixed Anion Silicates, Cs3RESi4O10F2 (RE = Y, Eu-Lu), Obtained via an Enhanced Flux Crystal Growth Technique.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08559","","","0.71073","MoKα","","0.0281","0.0258","","","0.0648","0.0656","","","","","","1.114","","","","has coordinates","201643","2020-10-21","18:00:00",""
"4126552","7.1027","0.0003","7.1471","0.0003","16.2743","0.0007","95.733","0.002","89.969","0.001","119.789","0.001","712.24","0.05","302","2","302","","","","","","","","","5","P -1","-P 1","2","","","","- Cs3 Eu F2 O10 Si4 -","- Cs3 Eu F2 O10 Si4 -","- Cs6 Eu2 F4 O20 Si8 -","2","1","","Morrison, Gregory; Latshaw, Allison M.; Spagnuolo, Nicholas R.; Zur Loye, Hans-Conrad","Observation of Intense X-ray Scintillation in a Family of Mixed Anion Silicates, Cs3RESi4O10F2 (RE = Y, Eu-Lu), Obtained via an Enhanced Flux Crystal Growth Technique.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08559","","","0.71073","MoKα","","0.0324","0.0309","","","0.0797","0.0805","","","","","","1.118","","","","has coordinates","201644","2020-10-21","18:00:00",""
"4126553","7.0722","0.0003","7.1249","0.0003","16.1502","0.0007","95.801","0.001","90.115","0.001","119.746","0.001","701.66","0.05","302","2","302","","","","","","","","","5","P -1","-P 1","2","","","","- Cs3 F2 O10 Si4 Y -","- Cs3 F2 O10 Si4 Y -","- Cs6 F4 O20 Si8 Y2 -","2","1","","Morrison, Gregory; Latshaw, Allison M.; Spagnuolo, Nicholas R.; Zur Loye, Hans-Conrad","Observation of Intense X-ray Scintillation in a Family of Mixed Anion Silicates, Cs3RESi4O10F2 (RE = Y, Eu-Lu), Obtained via an Enhanced Flux Crystal Growth Technique.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08559","","","0.71073","MoKα","","0.0261","0.0258","","","0.0595","0.0596","","","","","","1.141","","","","has coordinates","201645","2020-10-21","18:00:00",""
"4126554","7.0668","0.0006","7.1082","0.0006","16.0471","0.0012","95.912","0.003","90.043","0.003","119.874","0.003","693.99","0.1","302","2","302.01","","","","","","","","","5","P -1","-P 1","2","","","","- Cs3 F2 Lu O10 Si4 -","- Cs3 F2 Lu O10 Si4 -","- Cs6 F4 Lu2 O20 Si8 -","2","1","","Morrison, Gregory; Latshaw, Allison M.; Spagnuolo, Nicholas R.; Zur Loye, Hans-Conrad","Observation of Intense X-ray Scintillation in a Family of Mixed Anion Silicates, Cs3RESi4O10F2 (RE = Y, Eu-Lu), Obtained via an Enhanced Flux Crystal Growth Technique.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08559","","","0.71073","MoKα","","0.0635","0.0518","","","0.117","0.1239","","","","","","1.141","","","","has coordinates","201646","2020-10-21","18:00:00",""
"4126555","11.44","0.008","14.002","0.009","14.246","0.01","87.644","0.014","83.554","0.012","71.092","0.01","2145","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H43 Co N3 O11 -","- C43 H43 Co N3 O11 -","- C86 H86 Co2 N6 O22 -","2","1","","Planas, Oriol; Roldán-Gómez, Steven; Martin-Diaconescu, Vlad; Parella, Teodor; Luis, Josep M.; Company, Anna; Ribas, Xavi","Carboxylate-Assisted Formation of Aryl-Co(III) Masked-Carbenes in Cobalt-Catalyzed C-H Functionalization with Diazo Esters.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07880","","","0.71073","MoKα","","0.3036","0.1323","","","0.351","0.4425","","","","","","1.06","","","","has coordinates","201647","2020-10-21","18:00:00",""
"4126556","11.329","0.003","13.762","0.003","14.051","0.003","85.705","0.005","71.336","0.004","88.624","0.004","2069.7","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H35 Cl6 Co N3 O8 -","- C40 H34 Cl3 Co N3 O8 -","- C80 H68 Cl6 Co2 N6 O16 -","2","1","","Planas, Oriol; Roldán-Gómez, Steven; Martin-Diaconescu, Vlad; Parella, Teodor; Luis, Josep M.; Company, Anna; Ribas, Xavi","Carboxylate-Assisted Formation of Aryl-Co(III) Masked-Carbenes in Cobalt-Catalyzed C-H Functionalization with Diazo Esters.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07880","","","0.71073","MoKα","","0.1235","0.064","","","0.134","0.1619","","","","","","1.007","","","","has coordinates","201648","2020-10-21","18:00:00",""
"4126557","8.516","0.0002","20.1012","0.0005","14.0241","0.0004","90","","94.461","0.002","90","","2393.4","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DAC-Benzene","","","- C30 H34 N2 O2 -","- C30 H34 N2 O2 -","- C120 H136 N8 O8 -","4","1","","Perera, Tharushi A.; Reinheimer, Eric W.; Hudnall, Todd W.","Photochemically Switching Diamidocarbene Spin States Leads to Reversible Büchner Ring Expansions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09264","","x-ray","1.54184","CuKα","","0.0547","0.0488","","","0.1243","0.1335","","","","","","1.061","","","","has coordinates","201780","2020-10-21","18:00:00",""
"4126558","8.6938","0.0003","20.135","0.0005","14.4072","0.0003","90","","95.838","0.002","90","","2508.9","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DAC-chlorobenene","","","- C29.78 H32.68 Cl N2 O2 -","- C29.7804 H32.6782 Cl0.9981 N2 O2 -","- C119.122 H130.713 Cl3.9924 N8 O8 -","4","1","","Perera, Tharushi A.; Reinheimer, Eric W.; Hudnall, Todd W.","Photochemically Switching Diamidocarbene Spin States Leads to Reversible Büchner Ring Expansions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09264","","x-ray","1.54184","CuKα","","0.0676","0.0626","","","0.152","0.1565","","","","","","1.116","","","","has coordinates,has disorder","201780","2020-10-21","18:00:00",""
"4126559","10.658","0.002","17.786","0.004","17.91","0.004","85.5","0.03","86.97","0.03","74.4","0.03","3258.1","1.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","C36H42N2O2S2","","- C36 H42.5 N2 O2 S2 -","- C36 H42 N2 O2 S2 -","- C144 H168 N8 O8 S8 -","4","2","","Eckstein, Brian J.; Melkonyan, Ferdinand S.; Manley, Eric F.; Fabiano, Simone; Mouat, Aidan R.; Chen, Lin X.; Facchetti, Antonio; Marks, Tobin J.","Naphthalene Bis(4,8-diamino-1,5-dicarboxyl)amide Building Block for Semiconducting Polymers.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07750","","","0.71073","MoKα","","0.1296","0.0815","","","0.2253","0.264","","","","","","1.044","","","","has coordinates","201781","2020-10-21","18:00:00",""
"4126560","16.04","0.003","5.2797","0.0011","19.767","0.004","90","","112.38","0.03","90","","1547.9","0.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","BJE_V_31","","- C36 H42 N2 O2 S2 -","- C36 H41.33 N2 O2 S2 -","- C72 H82.66 N4 O4 S4 -","2","0.5","","Eckstein, Brian J.; Melkonyan, Ferdinand S.; Manley, Eric F.; Fabiano, Simone; Mouat, Aidan R.; Chen, Lin X.; Facchetti, Antonio; Marks, Tobin J.","Naphthalene Bis(4,8-diamino-1,5-dicarboxyl)amide Building Block for Semiconducting Polymers.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07750","","","0.71073","MoKα","","0.1159","0.078","","","0.1946","0.2322","","","","","","1.108","","","","has coordinates,has disorder","201782","2020-10-21","18:00:00",""
"4126561","13.472","0.006","14.483","0.006","15.234","0.006","104.171","0.004","105.935","0.003","110.081","0.006","2488","1.8","123","","123","","","","","","","","","2","P -1","-P 1","2","","","","- C66 H36 -","- C66 H36 -","- C132 H72 -","2","1","","Hosokawa, Tomoka; Takahashi, Yusuke; Matsushima, Tomoya; Watanabe, Soichiro; Kikkawa, Shoko; Azumaya, Isao; Tsurusaki, Akihiro; Kamikawa, Ken","Synthesis, Structures, and Properties of Hexapole Helicenes: Assembling Six [5]Helicene Substructures into Highly Twisted Aromatic Systems.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07113","","","0.71075","MoKα","","0.1069","0.0675","","","0.1716","0.1993","","","","","","1.061","","","","has coordinates","201783","2020-10-21","18:00:00",""
"4126562","30.5024","0.0001","30.5024","0.0001","35.1637","0.0002","90","","90","","120","","28333","0.2","93","","93","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C94.33 H48 Cl2 -","- C94.3323 H48 Cl1.998 -","- C1697.98 H864 Cl35.964 -","18","1","","Hosokawa, Tomoka; Takahashi, Yusuke; Matsushima, Tomoya; Watanabe, Soichiro; Kikkawa, Shoko; Azumaya, Isao; Tsurusaki, Akihiro; Kamikawa, Ken","Synthesis, Structures, and Properties of Hexapole Helicenes: Assembling Six [5]Helicene Substructures into Highly Twisted Aromatic Systems.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07113","","","1.54184","CuKα","","0.0925","0.0919","","","0.2636","0.2641","","","","","","1.028","","","","has coordinates,has disorder","201783","2020-10-21","18:00:00",""
"4126563","12.834","0.003","24.28","0.006","15.784","0.004","90","","101.85","0.003","90","","4814","2","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","mu-(4-(4'-pyridyl)-1,2,3,5-dithiadiazolyl)-(5,10,15,20-tetraphenylporphyrinato) cobalt(II)","","","- C56.84 H45.68 Co N7 O1.71 S2 -","- C56.838 H45.676 Co N7 O1.7095 S2 -","- C227.352 H182.704 Co4 N28 O6.838 S8 -","4","2","","Haynes, Delia A.; van Laeren, Laura J.; Munro, Orde Q.","Cobalt Porphyrin-Thiazyl Radical Coordination Polymers: Toward Metal-Organic Electronics.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07803","","","0.71073","MoKα","","0.1236","0.0639","","","0.1142","0.1368","","","","","","1.008","","","","has coordinates","201784","2020-10-21","18:00:00",""
"4126564","5.964","0.0012","18.27","0.004","18.965","0.004","90","","95.62","0.03","90","","2056.5","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 O18 P4 Pr -","- C10 H23 O16 P4 Pr -","- C40 H92 O64 P16 Pr4 -","4","1","","Wong, Norman E.; Ramaswamy, Padmini; Lee, Andrew; Gelfand, Benjamin S.; Bladek, Kamila; Taylor, Jared M.; Spasyuk, Denis; Shimizu, George K. H.","Tuning Intrinsic and Extrinsic Proton Conduction in Metal-Organic Frameworks by the Lanthanide Contraction.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07987","","","0.71073","MoKα","","0.0718","0.0484","","","0.084","0.0923","","","","","","1.117","","","","has coordinates","201819","2020-10-21","18:00:00",""
"4126565","10.9852","0.0012","12.8546","0.0014","16.2845","0.0018","90","","107.721","0.002","90","","2190.4","0.4","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 B2 N2 -","- C20 H32 B2 N2 -","- C80 H128 B8 N8 -","4","1","","Légaré Lavergne, Julien; Jayaraman, Arumugam; Misal-Castro, Luis C; Rochette, Etienne; Fontaine, Frédéric-Georges","Metal-Free Borylation of Heteroarenes using Ambiphilic Aminoboranes: On the Importance of Sterics in Frustrated Lewis Pair C-H Bond Activation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08143","","","0.71073","MoKα","","0.0457","0.0355","","","0.0775","0.0831","","","","","","1.039","","","","has coordinates","201820","2020-10-21","18:00:00",""
"4126566","20.3173","0.0017","10.2417","0.0009","21.1401","0.0018","90","","112.303","0.001","90","","4069.8","0.6","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 B2 N2 -","- C22 H32 B2 N2 -","- C176 H256 B16 N16 -","8","2","","Légaré Lavergne, Julien; Jayaraman, Arumugam; Misal-Castro, Luis C; Rochette, Etienne; Fontaine, Frédéric-Georges","Metal-Free Borylation of Heteroarenes using Ambiphilic Aminoboranes: On the Importance of Sterics in Frustrated Lewis Pair C-H Bond Activation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08143","","","0.71073","MoKα","","0.0673","0.0478","","","0.1158","0.1285","","","","","","1.015","","","","has coordinates","201820","2020-10-21","18:00:00",""
"4126567","7.8345","0.0009","11.025","0.0012","10.4161","0.0012","90","","99.184","0.002","90","","888.16","0.17","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 B F3 N -","- C8 H11 B F3 N -","- C32 H44 B4 F12 N4 -","4","1","","Légaré Lavergne, Julien; Jayaraman, Arumugam; Misal-Castro, Luis C; Rochette, Etienne; Fontaine, Frédéric-Georges","Metal-Free Borylation of Heteroarenes using Ambiphilic Aminoboranes: On the Importance of Sterics in Frustrated Lewis Pair C-H Bond Activation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08143","","","0.71073","MoKα","","0.0464","0.038","","","0.1024","0.1083","","","","","","1.062","","","","has coordinates","201820","2020-10-21","18:00:00",""
"4126568","7.546","0.005","12.6","0.008","11.855","0.008","90","","105.288","0.006","90","","1087.3","1.2","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 B F3 N -","- C10 H15 B F3 N -","- C40 H60 B4 F12 N4 -","4","1","","Légaré Lavergne, Julien; Jayaraman, Arumugam; Misal-Castro, Luis C; Rochette, Etienne; Fontaine, Frédéric-Georges","Metal-Free Borylation of Heteroarenes using Ambiphilic Aminoboranes: On the Importance of Sterics in Frustrated Lewis Pair C-H Bond Activation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08143","","","0.71073","MoKα","","0.0705","0.0479","","","0.1136","0.1323","","","","","","1.066","","","","has coordinates","201820","2020-10-21","18:00:00",""
"4126569","13.0093","0.0005","8.6076","0.0003","20.1758","0.0008","90","","104.532","0.001","90","","2186.98","0.14","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 B F3 N -","- C11 H15 B F3 N -","- C88 H120 B8 F24 N8 -","8","2","","Légaré Lavergne, Julien; Jayaraman, Arumugam; Misal-Castro, Luis C; Rochette, Etienne; Fontaine, Frédéric-Georges","Metal-Free Borylation of Heteroarenes using Ambiphilic Aminoboranes: On the Importance of Sterics in Frustrated Lewis Pair C-H Bond Activation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08143","","","0.71073","MoKα","","0.0592","0.0416","","","0.1049","0.1152","","","","","","1.041","","","","has coordinates","201820","2020-10-21","18:00:00",""
"4126570","5.7623","0.0002","7.1924","0.0003","27.539","0.0011","90","","90","","90","","1141.35","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Cl O -","- C14 H13 Cl O -","- C56 H52 Cl4 O4 -","4","1","","Line, Nathan J.; Witherspoon, Brittany P.; Hancock, Erin N.; Brown, M. Kevin","Synthesis of ent-[3]-Ladderanol: Development and Application of Intramolecular Chirality Transfer [2+2] Cycloadditions of Allenic Ketones and Alkenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09844","","","0.71073","MoKα","","0.0317","0.0293","","","0.0768","0.0783","","","","","","1.067","","","","has coordinates","201853","2020-10-21","18:00:00",""
"4126571","16.1025","0.0009","17.336","0.0009","24.1196","0.0014","79.233","0.002","88.547","0.002","63.057","0.002","5883","0.6","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C142 H114 N18 O12 -","- C142 H114 N18 O12 -","- C284 H228 N36 O24 -","2","1","","Li, Zhikai; Gu, Jiali; Qi, Shengli; Wu, Dezhen; Gao, Lingfeng; Chen, Ze; Guo, Jun; Li, Xiaohong; Wang, Yong; Yang, Xiaoming; Tu, Yingfeng","Shackling Effect Induced Property Differences in Metallo-Supramolecular Polymers.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07965","","","0.71073","MoKα","","0.0796","0.0569","","","0.1535","0.1862","","","","","","0.63","","","","has coordinates","201888","2020-10-21","18:00:00",""
"4126572","22.929","0.004","24.789","0.009","30.006","0.009","78.56","0.03","70.79","0.02","73.22","0.03","15319","8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C252 H247 Cl4 N52 O42 -","- C252 Cl4 N52 O42 -","- C504 Cl8 N104 O84 -","2","1","","Lamouroux, Arthur; Sebaoun, Laure; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Maurizot, Victor; Huc, Ivan","Controlling Dipole Orientation through Curvature: Aromatic Foldamer Bent β-Sheets and Helix-Sheet-Helix Architectures.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07961","","","1.54178","CuKα","","0.3159","0.2307","","","0.5007","0.5706","","","","","","1.226","","","","has coordinates","201889","2020-10-21","18:00:00",""
"4126573","14.5984","0.0005","16.9665","0.0006","24.2101","0.0017","94.169","0.007","106.752","0.007","103.726","0.007","5513.5","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H94 Cl6 N16 O16 -","- C92 H94 Cl6 N16 O16 -","- C184 H188 Cl12 N32 O32 -","2","1","","Lamouroux, Arthur; Sebaoun, Laure; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Maurizot, Victor; Huc, Ivan","Controlling Dipole Orientation through Curvature: Aromatic Foldamer Bent β-Sheets and Helix-Sheet-Helix Architectures.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07961","","","1.54178","CuKα","","0.1241","0.086","","","0.2429","0.2708","","","","","","0.992","","","","has coordinates","201890","2020-10-21","18:00:00",""
"4126574","16.038","0.003","16.052","0.003","33.23","0.007","88.15","0.03","88.18","0.03","84.5","0.03","8507","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C160 H168 N26 O30 -","- C160 H168 N26 O30 -","- C320 H336 N52 O60 -","2","1","","Lamouroux, Arthur; Sebaoun, Laure; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Maurizot, Victor; Huc, Ivan","Controlling Dipole Orientation through Curvature: Aromatic Foldamer Bent β-Sheets and Helix-Sheet-Helix Architectures.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07961","","","0.8","synchrotron","","0.0907","0.086","","","0.2416","0.2458","","","","","","1.072","","","","has coordinates","201891","2020-10-21","18:00:00",""
"4126575","26.58","0.006","31.783","0.005","39.824","0.007","90","","117.15","0.003","90","","29936","10","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C240 H248 Cl6 N48 O44 -","- C240 H248 Cl6 N48 O44 -","- C960 H992 Cl24 N192 O176 -","4","1","","Lamouroux, Arthur; Sebaoun, Laure; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Maurizot, Victor; Huc, Ivan","Controlling Dipole Orientation through Curvature: Aromatic Foldamer Bent β-Sheets and Helix-Sheet-Helix Architectures.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07961","","","1.54178","CuKα","","0.1986","0.1449","","","0.3639","0.3839","","","","","","1.94","","","","has coordinates","201892","2020-10-21","18:00:00",""
"4126576","19.71","0.005","37.726","0.008","47.105","0.01","79.047","0.01","88.988","0.013","83.752","0.008","34184","13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C142 H143 Cl3 N26 O25 -","- C141.25 Cl3 N26 O25 -","- C1130 Cl24 N208 O200 -","8","4","","Lamouroux, Arthur; Sebaoun, Laure; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Maurizot, Victor; Huc, Ivan","Controlling Dipole Orientation through Curvature: Aromatic Foldamer Bent β-Sheets and Helix-Sheet-Helix Architectures.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07961","","","1.54178","CuKα","","0.314","0.1892","","","0.4252","0.4616","","","","","","1.686","","","","has coordinates","201893","2020-10-21","18:00:00",""
"4126577","10.3068","0.0002","14.5755","0.0003","15.4152","0.0003","90","","90","","90","","2315.78","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O2 S -","- C28 H29 N O2 S -","- C112 H116 N4 O8 S4 -","4","1","","Li, Miao-Miao; Wei, Yi; Liu, Jie; Chen, Hong-Wei; Lu, Liang-Qiu; Xiao, Wen-Jing","Sequential Visible-Light Photoactivation and Palladium Catalysis Enabling Enantioselective [4+2] Cycloadditions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08310","","","1.54178","CuKα","","0.0281","0.0272","","","0.0759","0.0878","","","","","","1.191","","","","has coordinates","201921","2020-10-21","18:00:00",""
"4126578","10.0178","0.0003","12.0591","0.0003","32.58","0.0008","90","","90","","90","","3935.85","0.18","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C168 H184 N8 O24 S8 -","8","2","","Li, Miao-Miao; Wei, Yi; Liu, Jie; Chen, Hong-Wei; Lu, Liang-Qiu; Xiao, Wen-Jing","Sequential Visible-Light Photoactivation and Palladium Catalysis Enabling Enantioselective [4+2] Cycloadditions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08310","","","1.54178","CuKα","","0.0454","0.0439","","","0.117","0.1188","","","","","","1.085","","","","has coordinates,has disorder","201922","2020-10-21","18:00:00",""
"4126579","15.191","0.003","20.455","0.003","21.079","0.003","75.08","0.002","79.41","0.002","78.139","0.002","6134.4","1.7","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H210 K2 N12 O15 Sc2 Si12 -","- C84 H210 K2 N12 O15 Sc2 Si12 -","- C168 H420 K4 N24 O30 Sc4 Si24 -","2","1","","Woen, David; Chen, Guo P.; Ziller, Joseph W.; Boyle, Timothy J.; Furche, Filipp; Evans, William J.","An End-on Bridging Dinitrogen Complex of Scandium.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08456","","","0.71073","MoKα","","0.1161","0.0564","","","0.1036","0.1229","","","","","","0.996","","","","has coordinates","201923","2020-10-21","18:00:00",""
"4126580","16.144","0.003","15.029","0.003","17.02","0.003","90","","90","","90","","4129.5","1.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H18 N2 O2 -","- C28 H18 N2 O2 -","- C224 H144 N16 O16 -","8","1","","Huang, Chung-Yang; Bonasera, Aurelio; Hristov, Lachezar; Garmshausen, Yves; Schmidt, Bernd M.; Jacquemin, Denis; Hecht, Stefan","N,N′-Disubstituted Indigos as Readily Available Red-Light Photoswitches with Tunable Thermal Half-Lives","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08726","","","0.71073","MoKα","","0.0394","0.0366","","","0.0928","0.0952","","","","","","1.024","","","","has coordinates","201924","2020-10-21","18:00:00",""
"4126581","7.0367","0.0005","17.1664","0.0012","7.0476","0.0005","90","","97.445","0.003","90","","844.14","0.1","93","2","93","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","0.5","","Kim, Byoungmoo; Storch, Golo; Banerjee, Gourab; Mercado, Brandon Q.; Castillo-Lora, Janelle; Brudvig, Gary W.; Mayer, James M.; Miller, Scott J.","Stereodynamic Quinone-Hydroquinone Molecules That Enantiomerize at sp(3)-Carbon via Redox-Interconversion.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09176","","","1.54178","CuKα","","0.1046","0.0683","","","0.1319","0.1484","","","","","","1.142","","","","has coordinates,has disorder","201943","2020-10-21","18:00:00",""
"4126582","16.582","0.0018","11.9644","0.0016","16.272","0.002","90","","90","","90","","3228.3","0.7","93","2","93","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","1","","Kim, Byoungmoo; Storch, Golo; Banerjee, Gourab; Mercado, Brandon Q.; Castillo-Lora, Janelle; Brudvig, Gary W.; Mayer, James M.; Miller, Scott J.","Stereodynamic Quinone-Hydroquinone Molecules That Enantiomerize at sp(3)-Carbon via Redox-Interconversion.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09176","","","0.71073","MoKα","","0.1748","0.0937","","","0.2503","0.3389","","","","","","1.003","","","","has coordinates","201944","2020-10-21","18:00:00",""
"4126583","6.6711","0.0005","30.029","0.002","11.338","0.0008","90","","92.834","0.002","90","","2268.5","0.3","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H32 O4 -","- C25 H32 O4 -","- C100 H128 O16 -","4","2","","Kim, Byoungmoo; Storch, Golo; Banerjee, Gourab; Mercado, Brandon Q.; Castillo-Lora, Janelle; Brudvig, Gary W.; Mayer, James M.; Miller, Scott J.","Stereodynamic Quinone-Hydroquinone Molecules That Enantiomerize at sp(3)-Carbon via Redox-Interconversion.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09176","","","1.54178","CuKα","","0.0956","0.0827","","","0.2333","0.2486","","","","","","1.031","","","","has coordinates","201945","2020-10-21","18:00:00",""
"4126584","21.9649","0.0015","20.8793","0.0015","11.315","0.0008","90","","90","","90","","5189.2","0.6","93","2","93","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C25 H36 O4 -","- C25 H36 O4 -","- C200 H288 O32 -","8","1","","Kim, Byoungmoo; Storch, Golo; Banerjee, Gourab; Mercado, Brandon Q.; Castillo-Lora, Janelle; Brudvig, Gary W.; Mayer, James M.; Miller, Scott J.","Stereodynamic Quinone-Hydroquinone Molecules That Enantiomerize at sp(3)-Carbon via Redox-Interconversion.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09176","","","1.54178","CuKα","","0.0727","0.0605","","","0.1633","0.1759","","","","","","1.046","","","","has coordinates","201946","2020-10-21","18:00:00",""
"4126585","10.9748","0.0008","12.0537","0.0008","17.2557","0.0012","90","","90","","90","","2282.7","0.3","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O4 -","- C25 H34 O4 -","- C100 H136 O16 -","4","1","","Kim, Byoungmoo; Storch, Golo; Banerjee, Gourab; Mercado, Brandon Q.; Castillo-Lora, Janelle; Brudvig, Gary W.; Mayer, James M.; Miller, Scott J.","Stereodynamic Quinone-Hydroquinone Molecules That Enantiomerize at sp(3)-Carbon via Redox-Interconversion.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09176","","","1.54178","CuKα","","0.0283","0.026","","","0.0627","0.0637","","","","","","1.057","","","","has coordinates","201947","2020-10-21","18:00:00",""
"4126586","13.5005","0.0009","18.3699","0.0013","7.0032","0.0005","90","","90","","90","","1736.8","0.2","93","2","93","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","0.5","","Kim, Byoungmoo; Storch, Golo; Banerjee, Gourab; Mercado, Brandon Q.; Castillo-Lora, Janelle; Brudvig, Gary W.; Mayer, James M.; Miller, Scott J.","Stereodynamic Quinone-Hydroquinone Molecules That Enantiomerize at sp(3)-Carbon via Redox-Interconversion.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09176","","","1.54178","CuKα","","0.0482","0.0404","","","0.1069","0.1129","","","","","","1.046","","","","has coordinates,has disorder","201948","2020-10-21","18:00:00",""
"4126587","10.03354","0.00009","17.17472","0.00017","25.8767","0.0002","90","","90","","90","","4459.16","0.07","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 F12 N10 O6 P2 Ru -","- C38 H40 F12 N10 O6 P2 Ru -","- C152 H160 F48 N40 O24 P8 Ru4 -","4","1","","Li, Guocan; Swords, Wesley B.; Meyer, Gerald J.","Bromide Photo-oxidation Sensitized to Visible Light in Consecutive Ion Pairs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06735","","","1.54178","CuKα","","0.0318","0.0307","","","0.0762","0.0768","","","","","","1.1","","","","has coordinates","201949","2020-10-21","18:00:00",""
"4126588","8.3418","0.0002","11.7784","0.0003","20.0842","0.0004","90","","90","","90","","1973.33","0.08","230","2","230","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O3 Si -","- C21 H26 O3 Si -","- C84 H104 O12 Si4 -","4","1","","Burrows, Lauren C.; Jesikiewicz, Luke T.; Lu, Gang; Geib, Steven J.; Liu, Peng; Brummond, Kay M.","Computationally Guided Catalyst Design in the Type I Dynamic Kinetic Asymmetric Pauson‒Khand Reaction of Allenyl Acetates","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07121","","","1.54178","CuKα","","0.0253","0.0248","","","0.0767","0.0774","","","","","","1.034","","","","has coordinates","201950","2020-10-21","18:00:00",""
"4126589","25.622","0.006","12.955","0.003","32.433","0.007","90","","94.853","0.006","90","","10727","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H60 Cu F10 N4 Pd -","- C96 H60 Cu F10 N4 Pd -","- C384 H240 Cu4 F40 N16 Pd4 -","4","1","","Ke, Xian-Sheng; Hong, Yongseok; Tu, Peiyu; He, Qing; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Hetero Cu(III)-Pd(II) Complex of a Dibenzo[g,p]chrysene-Fused Bis-dicarbacorrole with Stable Organic Radical Character.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09167","","","0.71073","MoKα","","0.1759","0.1108","","","0.241","0.2908","","","","","","1.047","","","","has coordinates,has disorder","201997","2020-10-21","18:00:00",""
"4126590","29.296","0.007","12.4764","0.0012","27.728","0.004","90","","123.12","0.02","90","","8488","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C96 H66 F10 N4 -","- C96 H66 F10 N4 -","- C384 H264 F40 N16 -","4","0.5","","Ke, Xian-Sheng; Hong, Yongseok; Tu, Peiyu; He, Qing; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Hetero Cu(III)-Pd(II) Complex of a Dibenzo[g,p]chrysene-Fused Bis-dicarbacorrole with Stable Organic Radical Character.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09167","","","1.54184","CuKα","","0.185","0.0899","","","0.2238","0.2937","","","","","","1.001","","","","has coordinates","201998","2020-10-21","18:00:00",""
"4126591","21.6091","0.0005","12.366","0.0003","17.1126","0.0004","90","","99.589","0.002","90","","4508.91","0.19","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C96 H60 Cu2 F10 N4 -","- C96 H60 Cu2 F10 N4 -","- C192 H120 Cu4 F20 N8 -","2","0.5","","Ke, Xian-Sheng; Hong, Yongseok; Tu, Peiyu; He, Qing; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Hetero Cu(III)-Pd(II) Complex of a Dibenzo[g,p]chrysene-Fused Bis-dicarbacorrole with Stable Organic Radical Character.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09167","","","1.54184","CuKα","","0.1081","0.0824","","","0.2175","0.2454","","","","","","1.049","","","","has coordinates","201999","2020-10-21","18:00:00",""
"4126592","10.4859","0.0003","21.6432","0.0006","10.9315","0.0003","90","","92.895","0.002","90","","2477.72","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 O P S4 -","- C26 H21 O P S4 -","- C104 H84 O4 P4 S16 -","4","1","","Wu, Nathan Man-Wai; Ng, Maggie; Lam, Wai Han; Wong, Hok-Lai; Yam, Vivian Wing-Wah","Photochromic Heterocycle-Fused Thieno[3,2-b]phosphole Oxides as Visible Light Switches without Sacrificing Photoswitching Efficiency","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08333","","","0.71073","MoKα","","0.0547","0.0391","","","0.1138","0.1248","","","","","","1.069","","","","has coordinates","202000","2020-10-21","18:00:00",""
"4126593","30.6657","0.0013","8.4192","0.0003","24.8343","0.001","90","","127.035","0.001","90","","5118.3","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 O P S3 -","- C28 H23 O P S3 -","- C224 H184 O8 P8 S24 -","8","1","","Wu, Nathan Man-Wai; Ng, Maggie; Lam, Wai Han; Wong, Hok-Lai; Yam, Vivian Wing-Wah","Photochromic Heterocycle-Fused Thieno[3,2-b]phosphole Oxides as Visible Light Switches without Sacrificing Photoswitching Efficiency","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08333","","","0.71073","MoKα","","0.0641","0.0389","","","0.0953","0.1089","","","","","","1.009","","","","has coordinates","202001","2020-10-21","18:00:00",""
"4126594","9.3504","0.0013","11.1993","0.0017","25.696","0.004","90","","90","","90","","2690.8","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cp142","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","1","","Petermayer, Christian; Thumser, Stefan; Kink, Florian; Mayer, Peter; Dube, Henry","Hemiindigo - Highly Bistable Photoswitching at the Biooptical Window.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07531","","","0.71073","MoKα","","0.0516","0.0397","","","0.0969","0.1065","","","","","","1.106","","","","has coordinates","202002","2020-10-21","18:00:00",""
"4126595","10.6721","0.0003","12.1232","0.0003","25.2806","0.0007","90","","90","","90","","3270.8","0.15","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","CP198-C2","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C168 H160 N16 O8 -","8","1","","Petermayer, Christian; Thumser, Stefan; Kink, Florian; Mayer, Peter; Dube, Henry","Hemiindigo - Highly Bistable Photoswitching at the Biooptical Window.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07531","","","0.71073","MoKα","","0.0499","0.0389","","","0.0878","0.0939","","","","","","1.057","","","","has coordinates","202002","2020-10-21","18:00:00",""
"4126596","5.597","0.0001","8.462","0.0002","34.1983","0.0007","90","","90","","90","","1619.69","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cp157","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","","Petermayer, Christian; Thumser, Stefan; Kink, Florian; Mayer, Peter; Dube, Henry","Hemiindigo - Highly Bistable Photoswitching at the Biooptical Window.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07531","","","0.71073","MoKα","","0.0391","0.0366","","","0.0934","0.0953","","","","","","1.066","","","","has coordinates","202002","2020-10-21","18:00:00",""
"4126597","8.4893","0.0003","12.6179","0.0005","17.8392","0.0006","90","","101.783","0.001","90","","1870.62","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CP196-F2-C2","","","- C24 H26 N2 O -","- C24 H26 N2 O -","- C96 H104 N8 O4 -","4","1","","Petermayer, Christian; Thumser, Stefan; Kink, Florian; Mayer, Peter; Dube, Henry","Hemiindigo - Highly Bistable Photoswitching at the Biooptical Window.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07531","","","0.71073","MoKα","","0.092","0.0674","","","0.1581","0.1744","","","","","","1.023","","","","has coordinates","202002","2020-10-21","18:00:00",""
"4126598","10.9826","0.0018","13.462","0.002","17.649","0.003","101.096","0.006","105.259","0.005","104.987","0.006","2334.8","0.7","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C100 H128 Dy3 Fe6 I Li4 O10 -","- C100 H128 Dy3 Fe6 I Li4 O10 -","- C100 H128 Dy3 Fe6 I Li4 O10 -","1","0.5","","Latendresse, Trevor P.; Bhuvanesh, Nattamai S.; Nippe, Michael","Hard Single-Molecule Magnet Behavior By a Linear Trinuclear Lanthanide-[1]Metallocenophane Complex.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08690","","x-ray","0.71073","MoKα","","0.0651","0.0545","","","0.1101","0.119","","","","","","1.19","","","","has coordinates,has disorder","202060","2020-10-21","18:00:00",""
"4126599","16.1039","0.0006","17.0961","0.0006","27.6983","0.001","95.184","0.002","91.202","0.003","117.634","0.002","6711.1","0.4","120","2","120.02","","","","","","","","","8","P -1","-P 1","2","","","","- C90 H198 Ge18 K2 N4 O12 Pd3 Si6 -","- C90 H198 Ge18 K2 N4 O12 Pd3 Si6 -","- C180 H396 Ge36 K4 N8 O24 Pd6 Si12 -","2","1","","Perla, Luis G.; Muñoz-Castro, Alvaro; Sevov, Slavi C.","Eclipsed- and Staggered-[Ge18Pd3{E(i)Pr3}6](2-) (E = Si, Sn): Positional Isomerism in Deltahedral Zintl Clusters.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08562","","","1.54178","CuKα","","0.0809","0.0587","","","0.1499","0.1661","","","","","","1.033","","","","has coordinates,has disorder","202061","2020-10-21","18:00:00",""
"4126600","16.848","0.004","19.14","0.005","32.176","0.008","95.902","0.003","90.31","0.003","113.358","0.003","9463","4","120","2","120.52","","","","","","","","","8","P -1","-P 1","2","","","","- C156 H294 Ge18 K2 N4 O15 Pd3 Sn6 -","- C152 H285 Ge18 K2 N4 O14 Pd3 Sn6 -","- C304 H570 Ge36 K4 N8 O28 Pd6 Sn12 -","2","1","","Perla, Luis G.; Muñoz-Castro, Alvaro; Sevov, Slavi C.","Eclipsed- and Staggered-[Ge18Pd3{E(i)Pr3}6](2-) (E = Si, Sn): Positional Isomerism in Deltahedral Zintl Clusters.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08562","","","0.71073","MoKα","","0.0519","0.0396","","","0.0949","0.101","","","","","","1.044","","","","has coordinates","202063","2020-10-21","18:00:00",""
"4126601","14.14437","0.00018","10.66001","0.0001","14.34156","0.00018","90","","115.551","0.0016","90","","1950.93","0.05","110","2","110","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C23 H15 Br N2 O8 -","- C23 H15 Br N2 O8 -","- C92 H60 Br4 N8 O32 -","4","2","","Guan, Liangyu; Holl, Maxwell Gargiulo; Pitts, Cody Ross; Struble, Mark D.; Siegler, Maxime A.; Lectka, Thomas","Through-Space Activation Can Override Substituent Effects in Electrophilic Aromatic Substitution.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09792","","","1.54178","CuKα","","0.0335","0.032","","","0.0889","0.0903","","","","","","1.059","","","","has coordinates,has disorder","202064","2020-10-21","18:00:00",""
"4126602","14.9116","0.0005","10.7633","0.0004","21.0691","0.0007","90","","92.606","0.003","90","","3378.1","0.2","250","2","250","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 O4 -","- C23 H18 O4 -","- C184 H144 O32 -","8","2","","Guan, Liangyu; Holl, Maxwell Gargiulo; Pitts, Cody Ross; Struble, Mark D.; Siegler, Maxime A.; Lectka, Thomas","Through-Space Activation Can Override Substituent Effects in Electrophilic Aromatic Substitution.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09792","","","0.71073","MoKα","","0.0611","0.0456","","","0.1104","0.1207","","","","","","1.031","","","","has coordinates,has disorder","202065","2020-10-21","18:00:00",""
"4126603","9.0304","0.0003","10.573","0.0003","15.5426","0.0005","98.576","0.003","91.662","0.003","104.927","0.003","1414.34","0.08","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H28 Br4 O5 -","- C29 H28 Br4 O5 -","- C58 H56 Br8 O10 -","2","1","","Guan, Liangyu; Holl, Maxwell Gargiulo; Pitts, Cody Ross; Struble, Mark D.; Siegler, Maxime A.; Lectka, Thomas","Through-Space Activation Can Override Substituent Effects in Electrophilic Aromatic Substitution.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09792","","","1.54178","CuKα","","0.0361","0.0292","","","0.0673","0.071","","","","","","1.035","","","","has coordinates","202066","2020-10-21","18:00:00",""
"4126604","10.7331","0.0006","10.8919","0.0007","25.2888","0.0016","78.597","0.003","78.146","0.003","85.05","0.003","2833","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","HJ3043","SVK3_177","","- C51 H50 F18 Mo N2 O7 S2 -","- C51 H50 F18 Mo N2 O7 S2 -","- C102 H100 F36 Mo2 N4 O14 S4 -","2","1","","Jeong, Hyangsoo; von Kugelgen, Stephen; Bellone, Donatela; Fischer, Felix R.","Regioselective Termination Reagents for Ring-Opening Alkyne Metathesis Polymerization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09390","","","0.71073","MoKα","","0.0654","0.0535","","","0.1306","0.1385","","","","","","1.058","","","","has coordinates,has disorder","202124","2020-10-21","18:00:00",""
"4126605","10.0185","0.0003","10.8539","0.0003","17.1855","0.0005","77.653","0.002","80.752","0.002","84.727","0.002","1798.59","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","HJ2035","SVK3_36","","- C29 H26 F18 Mo N2 O5 -","- C29 H26 F18 Mo N2 O5 -","- C58 H52 F36 Mo2 N4 O10 -","2","1","","Jeong, Hyangsoo; von Kugelgen, Stephen; Bellone, Donatela; Fischer, Felix R.","Regioselective Termination Reagents for Ring-Opening Alkyne Metathesis Polymerization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09390","","","0.71073","MoKα","","0.0462","0.0367","","","0.0838","0.0876","","","","","","1.067","","","","has coordinates","202125","2020-10-21","18:00:00",""
"4126606","22.3586","0.0013","14.6161","0.0009","26.6473","0.0017","90","","114.583","0.003","90","","7918.9","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","PDJPK15","","","- C39 H54 Cl2 Mn N4 O4 -","- C39 H54 Cl2 Mn N4 O4 -","- C312 H432 Cl16 Mn8 N32 O32 -","8","4","","Huang, Xiongyi; Zhuang, Thompson; Kates, Patrick A.; Gao, Hongxin; Chen, Xinyi; Groves, John T.","Alkyl Isocyanates via Manganese-Catalyzed C-H Activation for the Preparation of Substituted Ureas.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07658","","","1.54178","CuKα","","0.087","0.0781","","","0.205","0.2197","","","","","","1.041","","","","has coordinates,has disorder","202126","2020-10-21","18:00:00",""
"4126607","13.87209","0.00018","14.5091","0.0002","24.6499","0.0003","90","","90","","90","","4961.32","0.11","150","0.1","150","0.1","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 N2 O3 S -","- C29 H28 N2 O3 S -","- C232 H224 N16 O24 S8 -","8","2","","Del Pozo, Sandra; Vera, Silvia; Oiarbide, Mikel; Palomo, Claudio","Catalytic Asymmetric Synthesis of Quaternary Barbituric Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09124","","x-ray","1.54184","CuKα","","0.0709","0.0573","","","0.1375","0.1457","","","","","","1.054","","","","has coordinates","202127","2020-10-21","18:00:00",""
"4126608","9.83592","0.00012","6.02967","0.00006","13.59401","0.00015","90","","96.8558","0.0011","90","","800.46","0.015","150","0.1","150","0.1","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H20 N2 O5 -","- C17 H20 N2 O5 -","- C34 H40 N4 O10 -","2","1","","Del Pozo, Sandra; Vera, Silvia; Oiarbide, Mikel; Palomo, Claudio","Catalytic Asymmetric Synthesis of Quaternary Barbituric Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09124","","x-ray","1.54184","CuKα","","0.024","0.0235","","","0.06","0.0604","","","","","","1.03","","","","has coordinates","202128","2020-10-21","18:00:00",""
"4126609","25.751","0.004","25.751","0.004","6.8192","0.0011","90","","90","","120","","3916.1","1.1","100","2","100","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C12 H10 Co2 O6 -","- C12 H2 Co2 O6 -","- C108 H18 Co18 O54 -","9","0.5","","Bachman, Jonathan E.; Kapelewski, Matthew T.; Reed, Douglas A.; Gonzalez, Miguel I.; Long, Jeffrey R.","M2(m-dobdc) (M = Mn, Fe, Co, Ni) Metal-Organic Frameworks as Highly-Selective, High-Capacity Adsorbents for Olefin/Paraffin Separations.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06397","","","0.8856","synchrotron","","0.0537","0.0456","","","0.1099","0.1151","","","","","","1.078","","","","has coordinates","208816","2020-10-21","18:00:00",""
"4126610","25.72","0.007","25.72","0.007","6.853","0.002","90","","90","","120","","3926","1.9","100","2","100","2","","","","","","","","4","R -3","-R 3","148","","","","- C11.78 H9.57 Co2 O6 -","- C11.784 H9.568 Co2 O6 -","- C106.056 H86.112 Co18 O54 -","9","","","Bachman, Jonathan E.; Kapelewski, Matthew T.; Reed, Douglas A.; Gonzalez, Miguel I.; Long, Jeffrey R.","M2(m-dobdc) (M = Mn, Fe, Co, Ni) Metal-Organic Frameworks as Highly-Selective, High-Capacity Adsorbents for Olefin/Paraffin Separations.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06397","","","0.6888","synchrotron","","0.0827","0.0613","","","0.1113","0.1204","","","","","","1.101","","","","has coordinates","202151","2020-10-21","18:00:00",""
"4126611","13.2688","0.0006","26.1296","0.0013","23.6139","0.0011","90","","97.541","0.001","90","","8116.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H102 Cl Fe N3 O2 -","- C90 H102 Cl Fe N3 O2 -","- C360 H408 Cl4 Fe4 N12 O8 -","4","1","","Maity, Arnab K.; Murillo, Jesse; Metta-Magaña, Alejandro J; Pinter, Balazs; Fortier, Skye","A Terminal Iron(IV) Nitride Supported by a Super Bulky Guanidinate Ligand and Examination of Its Electronic Structure and Reactivity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06919","","","0.71073","MoKα","","0.0852","0.0598","","","0.1671","0.1799","","","","","","1.138","","","","has coordinates,has disorder","202214","2020-10-21","18:00:00",""
"4126612","16.192","0.002","21.042","0.003","24.586","0.003","90","","101.876","0.003","90","","8197.4","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C180 H208 Fe2 N18 Na2 O4 -","- C180 H208 Fe2 N18 Na2 O4 -","- C360 H416 Fe4 N36 Na4 O8 -","2","0.5","","Maity, Arnab K.; Murillo, Jesse; Metta-Magaña, Alejandro J; Pinter, Balazs; Fortier, Skye","A Terminal Iron(IV) Nitride Supported by a Super Bulky Guanidinate Ligand and Examination of Its Electronic Structure and Reactivity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06919","","","0.71073","MoKα","","0.1068","0.0588","","","0.1179","0.1347","","","","","","1.024","","","","has coordinates,has disorder","202215","2020-10-21","18:00:00",""
"4126613","11.9645","0.0005","27.5284","0.0011","22.0629","0.0009","90","","101.085","0.001","90","","7131.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C83 H86 Cl2 Fe N4 -","- C83 H86 Cl2 Fe N4 -","- C332 H344 Cl8 Fe4 N16 -","4","1","","Maity, Arnab K.; Murillo, Jesse; Metta-Magaña, Alejandro J; Pinter, Balazs; Fortier, Skye","A Terminal Iron(IV) Nitride Supported by a Super Bulky Guanidinate Ligand and Examination of Its Electronic Structure and Reactivity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06919","","","0.71073","MoKα","","0.0625","0.0488","","","0.1447","0.1545","","","","","","1.078","","","","has coordinates,has disorder","202216","2020-10-21","18:00:00",""
"4126614","18.029","0.0015","18.8827","0.0016","22.8543","0.0019","90","","90.569","0.002","90","","7780","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H98 Fe N6 -","- C96 H98 Fe N6 -","- C384 H392 Fe4 N24 -","4","1","","Maity, Arnab K.; Murillo, Jesse; Metta-Magaña, Alejandro J; Pinter, Balazs; Fortier, Skye","A Terminal Iron(IV) Nitride Supported by a Super Bulky Guanidinate Ligand and Examination of Its Electronic Structure and Reactivity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06919","","","0.71073","MoKα","","0.1312","0.0548","","","0.106","0.1393","","","","","","1.01","","","","has coordinates","202217","2020-10-21","18:00:00",""
"4126615","26.5236","0.0009","14.0703","0.0005","23.6909","0.0008","90","","105.893","0.001","90","","8503.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C101 H117 Fe N5 O2 Si -","- C101 H117 Fe N5 O2 Si -","- C404 H468 Fe4 N20 O8 Si4 -","4","1","","Maity, Arnab K.; Murillo, Jesse; Metta-Magaña, Alejandro J; Pinter, Balazs; Fortier, Skye","A Terminal Iron(IV) Nitride Supported by a Super Bulky Guanidinate Ligand and Examination of Its Electronic Structure and Reactivity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06919","","","0.71073","MoKα","","0.088","0.058","","","0.1646","0.1857","","","","","","1.14","","","","has coordinates,has disorder","202218","2020-10-21","18:00:00",""
"4126616","19.4206","0.0018","13.6823","0.0013","28.826","0.003","90","","99.078","0.002","90","","7563.7","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C93 H95 Fe N7 -","- C93 H95 Fe N7 -","- C372 H380 Fe4 N28 -","4","1","","Maity, Arnab K.; Murillo, Jesse; Metta-Magaña, Alejandro J; Pinter, Balazs; Fortier, Skye","A Terminal Iron(IV) Nitride Supported by a Super Bulky Guanidinate Ligand and Examination of Its Electronic Structure and Reactivity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06919","","","0.71073","MoKα","","0.1875","0.0786","","","0.1673","0.2351","","","","","","0.951","","","","has coordinates,has disorder","202219","2020-10-21","18:00:00",""
"4126617","10.6719","0.001","10.7538","0.0009","16.3248","0.0016","91.269","0.003","91.242","0.004","104.316","0.003","1814.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H60 B Fe N2 P3 -","- C38 H60 B Fe N2 P3 -","- C76 H120 B2 Fe2 N4 P6 -","2","1","","Thompson, Niklas B.; Green, Michael T.; Peters, Jonas C.","Nitrogen Fixation via a Terminal Fe(IV) Nitride.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09364","","","0.71073","MoKα","","0.0712","0.0591","","","0.1509","0.1587","","","","","","1.04","","","","has coordinates,has disorder","202220","2020-10-21","18:00:00",""
"4126618","10.8053","0.0004","14.9993","0.0005","24.4155","0.0009","90","","92.474","0.001","90","","3953.4","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H54 B F3 Fe O3 P3 S -","- C37 H54 B F3 Fe O3 P3 S -","- C148 H216 B4 F12 Fe4 O12 P12 S4 -","4","1","","Thompson, Niklas B.; Green, Michael T.; Peters, Jonas C.","Nitrogen Fixation via a Terminal Fe(IV) Nitride.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09364","","","0.71073","MoKα","","0.0503","0.0354","","","0.079","0.0844","","","","","","1.042","","","","has coordinates","202220","2020-10-21","18:00:00",""
"4126619","22.246","0.004","20.4","0.004","23.835","0.005","90","","90","","90","","10817","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C55 H72 F3 N7 O3 S -","- C55 H72 F3 N7 O3 S -","- C440 H576 F24 N56 O24 S8 -","8","1","","Back, Jisu; Park, Junbeom; Kim, Youngsuk; Kang, Haneol; Kim, Yonghwi; Park, Moon Jeong; Kim, Kimoon; Lee, Eunsung","Triazenyl Radicals Stabilized by N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08753","","","0.66002","synchrotron","","0.1128","0.0907","","","0.2728","0.2886","","","","","","1.067","","","","has coordinates","202221","2020-10-21","18:00:00",""
"4126620","23.316","0.005","19.506","0.004","21.187","0.004","90","","114.64","0.03","90","","8758","4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H51 Cl N8 -","- C44 H51 Cl N8 -","- C352 H408 Cl8 N64 -","8","1","","Back, Jisu; Park, Junbeom; Kim, Youngsuk; Kang, Haneol; Kim, Yonghwi; Park, Moon Jeong; Kim, Kimoon; Lee, Eunsung","Triazenyl Radicals Stabilized by N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08753","","","0.7","synchrotron","","0.0762","0.0615","","","0.1754","0.1874","","","","","","1.066","","","","has coordinates","202222","2020-10-21","18:00:00",""
"4126621","12.52","0.003","27.19","0.005","14.38","0.003","90","","92.42","0.03","90","","4890.9","1.8","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C54 H73 N7 -","- C54 H73 N7 -","- C216 H292 N28 -","4","1","","Back, Jisu; Park, Junbeom; Kim, Youngsuk; Kang, Haneol; Kim, Yonghwi; Park, Moon Jeong; Kim, Kimoon; Lee, Eunsung","Triazenyl Radicals Stabilized by N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08753","","","0.7","synchrotron","","0.1685","0.0568","","","0.1133","0.1484","","","","","","0.874","","","","has coordinates,has disorder","202223","2020-10-21","18:00:00",""
"4126622","12.821","0.003","28.197","0.006","13.549","0.003","90","","93.77","0.03","90","","4887.6","1.9","100","2","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 N7 -","- C54 H72 N7 -","- C216 H288 N28 -","4","1","","Back, Jisu; Park, Junbeom; Kim, Youngsuk; Kang, Haneol; Kim, Yonghwi; Park, Moon Jeong; Kim, Kimoon; Lee, Eunsung","Triazenyl Radicals Stabilized by N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08753","","","0.7","synchrotron","","0.1073","0.0559","","","0.133","0.157","","","","","","0.933","","","","has coordinates,has disorder","202224","2020-10-21","18:00:00",""
"4126623","42.91","0.009","8.597","0.0017","21.633","0.004","90","","114.51","0.03","90","","7261","3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 N7 -","- C42 H48 N7 -","- C336 H384 N56 -","8","1","","Back, Jisu; Park, Junbeom; Kim, Youngsuk; Kang, Haneol; Kim, Yonghwi; Park, Moon Jeong; Kim, Kimoon; Lee, Eunsung","Triazenyl Radicals Stabilized by N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08753","","","0.7","synchrotron","","0.0878","0.0548","","","0.1396","0.1562","","","","","","1.034","","","","has coordinates","202225","2020-10-21","18:00:00",""
"4126624","12.473","0.002","32.135","0.006","25.904","0.005","90","","96.21","0.03","90","","10322","3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cl N7 -","- C54 H72 Cl N7 -","- C432 H576 Cl8 N56 -","8","2","","Back, Jisu; Park, Junbeom; Kim, Youngsuk; Kang, Haneol; Kim, Yonghwi; Park, Moon Jeong; Kim, Kimoon; Lee, Eunsung","Triazenyl Radicals Stabilized by N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08753","","","0.7","synchrotron","","0.1446","0.0836","","","0.2271","0.2663","","","","","","1.047","","","","has coordinates","202226","2020-10-21","18:00:00",""
"4126625","10.3762","0.0005","9.8211","0.0004","13.1712","0.0006","90","","96.17","0.003","90","","1334.45","0.1","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H23 Cl N4 O10 P Ru -","- C23 H23 Cl N4 O10 P Ru -","- C46 H46 Cl2 N8 O20 P2 Ru2 -","2","1","","Shaffer, David W.; Xie, Yan; Szalda, David J.; Concepcion, Javier J.","Lability and Basicity of Bipyridine-Carboxylate-Phosphonate Ligand Accelerate Single-Site Water Oxidation by Ruthenium-Based Molecular Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06096","","","0.71073","MoKα","","0.1246","0.0598","","","0.072","0.0828","","","","","","0.894","","","","has coordinates","202251","2020-10-21","18:00:00",""
"4126626","11.0051","0.0005","12.0135","0.0005","13.5167","0.0006","91.283","0.003","104.321","0.003","116.898","0.002","1525.42","0.12","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 N4 O11 P Ru -","- C29 H28 N4 O11 P Ru -","- C58 H56 N8 O22 P2 Ru2 -","2","1","","Shaffer, David W.; Xie, Yan; Szalda, David J.; Concepcion, Javier J.","Lability and Basicity of Bipyridine-Carboxylate-Phosphonate Ligand Accelerate Single-Site Water Oxidation by Ruthenium-Based Molecular Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06096","","","0.71073","MoKα","","0.1127","0.057","","","0.1063","0.1206","","","","","","1.001","","","","has coordinates","202252","2020-10-21","18:00:00",""
"4126627","12.7272","0.0004","9.0183","0.0003","13.532","0.0004","90","","104.603","0.001","90","","1503","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H28 Cl N O5 S -","- C36 H28 Cl N O5 S -","- C72 H56 Cl2 N2 O10 S2 -","2","1","","Rong, Zi-Qiang; Yang, Li-Cheng; Liu, Song; Yu, Zhaoyuan; Wang, Ya-Nong; Tan, Zher Yin; Huang, Rui-Zhi; Lan, Yu; Zhao, Yu","Nine-Membered Benzofuran-Fused Heterocycles: Enantioselective Synthesis by Pd-Catalysis and Rearrangement via Transannular Bond Formation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09161","","","1.54178","CuKα","","0.044","0.0436","","","0.1176","0.1181","","","","","","1.037","","","","has coordinates,has disorder","202273","2020-10-21","18:00:00",""
"4126628","14.7304","0.0004","18.4422","0.0005","21.3432","0.0006","90","","90","","90","","5798.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H64 N2 O9 S2 -","- C68 H64 N2 O9 S2 -","- C272 H256 N8 O36 S8 -","4","1","","Rong, Zi-Qiang; Yang, Li-Cheng; Liu, Song; Yu, Zhaoyuan; Wang, Ya-Nong; Tan, Zher Yin; Huang, Rui-Zhi; Lan, Yu; Zhao, Yu","Nine-Membered Benzofuran-Fused Heterocycles: Enantioselective Synthesis by Pd-Catalysis and Rearrangement via Transannular Bond Formation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09161","","","1.54178","CuKα","","0.0497","0.0477","","","0.1237","0.1249","","","","","","1.125","","","","has coordinates,has disorder","202274","2020-10-21","18:00:00",""
"4126629","9.7883","0.0011","10.7643","0.0011","27.458","0.003","90","","90","","90","","2893.1","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H28 Cl N O4 S -","- C36 H28 Cl N O4 S -","- C144 H112 Cl4 N4 O16 S4 -","4","1","","Rong, Zi-Qiang; Yang, Li-Cheng; Liu, Song; Yu, Zhaoyuan; Wang, Ya-Nong; Tan, Zher Yin; Huang, Rui-Zhi; Lan, Yu; Zhao, Yu","Nine-Membered Benzofuran-Fused Heterocycles: Enantioselective Synthesis by Pd-Catalysis and Rearrangement via Transannular Bond Formation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09161","","","0.71073","MoKα","","0.0776","0.0481","","","0.0822","0.0902","","","","","","1.025","","","","has coordinates","202275","2020-10-21","18:00:00",""
"4126630","8.1378","0.0004","12.5793","0.0006","12.7814","0.0006","94.224","0.003","98.277","0.003","92.505","0.004","1289.3","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 N O4 S -","- C32 H27 N O4 S -","- C64 H54 N2 O8 S2 -","2","1","","Rong, Zi-Qiang; Yang, Li-Cheng; Liu, Song; Yu, Zhaoyuan; Wang, Ya-Nong; Tan, Zher Yin; Huang, Rui-Zhi; Lan, Yu; Zhao, Yu","Nine-Membered Benzofuran-Fused Heterocycles: Enantioselective Synthesis by Pd-Catalysis and Rearrangement via Transannular Bond Formation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09161","","","1.54178","CuKα","","0.0877","0.0488","","","0.0955","0.107","","","","","","1.04","","","","has coordinates","202276","2020-10-21","18:00:00",""
"4126631","11.5856","0.0005","9.1759","0.0004","14.3288","0.0006","90","","101.879","0.001","90","","1490.65","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H28 Cl N O5 S -","- C36 H28 Cl N O5 S -","- C72 H56 Cl2 N2 O10 S2 -","2","1","","Rong, Zi-Qiang; Yang, Li-Cheng; Liu, Song; Yu, Zhaoyuan; Wang, Ya-Nong; Tan, Zher Yin; Huang, Rui-Zhi; Lan, Yu; Zhao, Yu","Nine-Membered Benzofuran-Fused Heterocycles: Enantioselective Synthesis by Pd-Catalysis and Rearrangement via Transannular Bond Formation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09161","","","1.54178","CuKα","","0.0236","0.0235","","","0.0645","0.0646","","","","","","1.102","","","","has coordinates","202277","2020-10-21","18:00:00",""
"4126632","12.6104","0.0007","26.6968","0.0013","45.345","0.002","90","","90","","90","","15265.7","1.3","293.15","","293.15","","","","","","","","","3","F d d d","-F 2uv 2vw","70","","","","- C66 H84 O12 -","- C66 H84 O12 -","- C528 H672 O96 -","8","","","Jie, Kecheng; Zhou, Yujuan; Li, Errui; Li, Zhengtao; Zhao, Run; Huang, Feihe","Reversible Iodine Capture by Non-Porous Pillar[6]arene Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09850","","","0.71073","MoKα","","0.1033","0.073","","","0.2207","0.2544","","","","","","1.038","","","","has coordinates","202278","2020-10-21","18:00:00",""
"4126633","10.4135","0.0005","13.1885","0.0006","13.7554","0.0007","106.47","0.002","103.657","0.002","110.715","0.002","1570.83","0.14","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H84 I2 O12 -","- C66 H84 I2 O12 -","- C66 H84 I2 O12 -","1","0.5","","Jie, Kecheng; Zhou, Yujuan; Li, Errui; Li, Zhengtao; Zhao, Run; Huang, Feihe","Reversible Iodine Capture by Non-Porous Pillar[6]arene Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09850","","","1.54178","CuKα","","0.0346","0.032","","","0.0763","0.0779","","","","","","1.07","","","","has coordinates","202279","2020-10-21","18:00:00",""
"4126634","19.425","0.004","18.198","0.004","8.8148","0.0018","90","","90","","90","","3116","1.1","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cl3 N O2 -","- C12 H16 Cl2.999 N O2 -","- C96 H128 Cl23.992 N8 O16 -","8","1","","Sun, Zhihua; Li, Jian; Ji, Chengmin; Sun, Junliang; Hong, Maochun; Luo, Junhua","Unusual Long-Range Ordering Incommensurate Structural Modulations in an Organic Molecular Ferroelectric.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08950","","","0.71073","MoKα","","0.0808","0.0721","","","0.1763","0.1836","","","","","","1.081","","","","has coordinates,has disorder","202280","2020-10-21","18:00:00",""
"4126635","19.3641","0.0006","18.099","0.0006","8.7904","0.0002","90","","90","","90","","3080.78","0.16","240","2","240","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cl3 N O2 -","- C12 H16 Cl3.001 N O2 -","- C96 H128 Cl24.008 N8 O16 -","8","1","","Sun, Zhihua; Li, Jian; Ji, Chengmin; Sun, Junliang; Hong, Maochun; Luo, Junhua","Unusual Long-Range Ordering Incommensurate Structural Modulations in an Organic Molecular Ferroelectric.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08950","","","0.71073","MoKα","","0.0781","0.0621","","","0.1389","0.1521","","","","","","1.061","","","","has coordinates,has disorder","202280","2020-10-21","18:00:00",""
"4126636","19.243","0.0007","17.9355","0.0007","8.7459","0.0003","90","","90","","90","","3018.5","0.19","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cl3 N O2 -","- C12 H16 Cl2.99 N O2 -","- C96 H128 Cl23.92 N8 O16 -","8","1","","Sun, Zhihua; Li, Jian; Ji, Chengmin; Sun, Junliang; Hong, Maochun; Luo, Junhua","Unusual Long-Range Ordering Incommensurate Structural Modulations in an Organic Molecular Ferroelectric.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08950","","","0.71073","MoKα","","0.074","0.0618","","","0.1297","0.1377","","","","","","1.045","","","","has coordinates,has disorder","202280","2020-10-21","18:00:00",""
"4126637","19.1923","0.0006","17.8181","0.0004","8.7142","0.0002","90","","90","","90","","2980","0.13","100","2","100","2","","","","","","","","5","P b 21 a","P -2a -2ab","29","","","","- C12 H16 Cl3 N O2 -","- C12 H16 Cl3 N O2 -","- C96 H128 Cl24 N8 O16 -","8","2","","Sun, Zhihua; Li, Jian; Ji, Chengmin; Sun, Junliang; Hong, Maochun; Luo, Junhua","Unusual Long-Range Ordering Incommensurate Structural Modulations in an Organic Molecular Ferroelectric.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08950","","","0.71073","MoKα","","0.0357","0.0325","","","0.0734","0.0756","","","","","","1.03","","","","has coordinates","202280","2020-10-21","18:00:00",""
"4126638","30.7121","0.0003","30.7121","0.0003","35.4811","0.0004","90","","90","","120","","28983.2","0.5","293","","293","","","","","","","","","2","R -3","-R 3","148","","","","- C88 H48 -","- C88 H48 -","- C1584 H864 -","18","","","Berezhnaia, Veronika; Roy, Myriam; Vanthuyne, Nicolas; Villa, Marco; Naubron, Jean-Valère; Rodriguez, Jean; Coquerel, Yoann; Gingras, Marc","A Chiral Nanographene Propeller Embedding Six Enantiomerically Stable [5]Helicene Units.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07622","","x-ray","1.54184","CuKα","","0.0526","0.0491","","","0.1454","0.1484","","","","","","1.076","","","","has coordinates","202301","2020-10-21","18:00:00",""
"4126639","12.267","0.002","8.42","0.0014","26.875","0.004","90","","101.588","0.003","90","","2719.3","0.8","90","0.1","90","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H26 Cl2 F N O9 -","- C27 H26 Cl2 F N O9 -","- C108 H104 Cl8 F4 N4 O36 -","4","2","","Duo, Tianmeng; Robinson, Kyle; Greig, Ian R.; Chen, Hong-Ming; Patrick, Brian O.; Withers, Stephen G.","Remarkable Reactivity Differences between Glucosides with Identical Leaving Groups.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09645","","","0.71073","MoKα","","0.0483","0.0362","","","0.0719","0.0754","","","","","","1.006","","","","has coordinates","202302","2020-10-21","18:00:00",""
"4126640","21.556","0.006","6.8458","0.0017","21.251","0.008","90","","118.661","0.005","90","","2751.7","1.5","90","0.1","90","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C27 H26.5 Cl2 F N O9.25 -","- C27 H26.414 Cl2 F N O9.207 -","- C108 H105.656 Cl8 F4 N4 O36.828 -","4","1","","Duo, Tianmeng; Robinson, Kyle; Greig, Ian R.; Chen, Hong-Ming; Patrick, Brian O.; Withers, Stephen G.","Remarkable Reactivity Differences between Glucosides with Identical Leaving Groups.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09645","","","0.71073","MoKα","","0.0355","0.0297","","","0.0692","0.0732","","","","","","1.029","","","","has coordinates,has disorder","202302","2020-10-21","18:00:00",""
"4126641","20.6012","0.0007","20.6012","0.0007","6.8939","0.0003","90","","90","","120","","2533.85","0.16","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","Zn2(dobpdc)(dach-CO2)2","","","- C28 H34 N4 O10 Zn2 -","- C28 H34 N4 O10 Zn2 -","- C84 H102 N12 O30 Zn6 -","3","0.5","","Martell, Jeffrey D.; Porter-Zasada, Leo B; Forse, Alexander C.; Siegelman, Rebecca L.; Gonzalez, Miguel I.; Oktawiec, Julia; Runcevski, Tomce; Xu, Jiawei; Srebro-Hooper, Monika; Milner, Phillip J.; Colwell, Kristen A.; Autschbach, Jochen; Reimer, Jeffrey A.; Long, Jeffrey R.","Enantioselective Recognition of Ammonium Carbamates in a Chiral Metal-Organic Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09983","","","0.8856","synchrotron","","0.0617","0.0566","","","0.1377","0.1401","","","","","","1.182","","","","has coordinates,has disorder","202303","2020-10-21","18:00:00",""
"4126642","12.5961","0.0012","15.6929","0.0016","16.3566","0.0017","78.446","0.003","84.586","0.003","88.562","0.003","3153.5","0.5","100","2","100","","","","","","","","","3","P 1","P 1","1","","","","- C70 H96 N2 -","- C70 H96 N2 -","- C140 H192 N4 -","2","2","","Hansmann, Max M.; Melaimi, Mohand; Bertrand, Guy","A Crystalline Monomeric Allenyl/Propargyl Radical.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09622","","x-ray","0.71073","MoKα","","0.1402","0.1063","","","0.2914","0.3244","","","","","","1.299","","","","has coordinates,has disorder","202304","2020-10-21","18:00:00",""
"4126643","13.4623","0.0005","23.1356","0.0007","14.0612","0.0005","90","","94.923","0.002","90","","4363.3","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H50 F6 N Sb -","- C43 H50 F6 N Sb -","- C172 H200 F24 N4 Sb4 -","4","1","","Hansmann, Max M.; Melaimi, Mohand; Bertrand, Guy","A Crystalline Monomeric Allenyl/Propargyl Radical.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09622","","x-ray","0.71073","MoKα","","0.1268","0.0914","","","0.1839","0.1962","","","","","","1.168","","","","has coordinates,has disorder","202305","2020-10-21","18:00:00",""
"4126644","9.2489","0.0004","11.658","0.0006","17.0457","0.0008","72.626","0.001","83.811","0.001","77.388","0.002","1709.96","0.14","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C43 H50 N -","- C43 H50 N -","- C86 H100 N2 -","2","1","","Hansmann, Max M.; Melaimi, Mohand; Bertrand, Guy","A Crystalline Monomeric Allenyl/Propargyl Radical.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09622","","x-ray","1.54178","CuKα","","0.0421","0.0399","","","0.1023","0.1046","","","","","","1.033","","","","has coordinates","202306","2020-10-21","18:00:00",""
"4126645","9.3348","0.0005","10.9124","0.0005","17.2615","0.0008","86.599","0.002","75.345","0.002","75.325","0.002","1645.62","0.14","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H50 Co N -","- C40 H50 Co N -","- C80 H100 Co2 N2 -","2","1","","Hansmann, Max M.; Melaimi, Mohand; Bertrand, Guy","A Crystalline Monomeric Allenyl/Propargyl Radical.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09622","","x-ray","1.54178","CuKα","K-L~3~","0.0302","0.0297","","","0.0817","0.0821","","","","","","1.055","","","","has coordinates,has disorder","202307","2020-10-21","18:00:00",""
"4126646","11.34","0.003","12.577","0.004","18.802","0.005","78.37","0.02","81.016","0.019","75.52","0.02","2527.3","1.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H80 N2 -","- C60 H80 N2 -","- C120 H160 N4 -","2","1","","Hansmann, Max M.; Melaimi, Mohand; Bertrand, Guy","A Crystalline Monomeric Allenyl/Propargyl Radical.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09622","","x-ray","1.54178","CuKα","K-L~3~","0.0793","0.0687","","","0.1543","0.1583","","","","","","1.183","","","","has coordinates,has disorder","202308","2020-10-21","18:00:00",""
"4126647","11.1422","0.0003","15.1771","0.0004","17.5455","0.0005","90","","96.155","0.002","90","","2949.95","0.14","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 F6 N Sb -","- C30 H40 F6 N Sb -","- C120 H160 F24 N4 Sb4 -","4","1","","Hansmann, Max M.; Melaimi, Mohand; Bertrand, Guy","A Crystalline Monomeric Allenyl/Propargyl Radical.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09622","","x-ray","0.71073","MoKα","K-L~3~","0.0308","0.0237","","","0.0522","0.0552","","","","","","1.021","","","","has coordinates","202309","2020-10-21","18:00:00",""
"4126648","3.8979","0.0001","3.8979","0.0001","29.8291","0.0013","90","","90","","90","","453.21","0.03","100","","100","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Bi8 Cl0.64 Cu3.46 O8 Se5.36 -","- Bi8 Cl0.64 Cu3.456 O8 Se5.36 -","- Bi8 Cl0.64 Cu3.456 O8 Se5.36 -","1","0.03125","","Gibson, Quinn D.; Dyer, Matthew S.; Whitehead, George F. S.; Alaria, Jonathan; Pitcher, Michael J.; Edwards, Holly J.; Claridge, John B.; Zanella, Marco; Dawson, Karl; Manning, Troy D.; Dhanak, Vin R.; Rosseinsky, Matthew J.","Bi4O4Cu1.7Se2.7Cl0.3: Intergrowth of BiOCuSe and Bi2O2Se Stabilized by the Addition of a Third Anion.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06168","","x-ray","0.71073","MoKα","","0.0324","0.0291","","","0.0759","0.0783","","","","","","1.174","","","","has coordinates,has disorder","202353","2020-10-21","18:00:00",""
"4126649","21.3567","0.0006","12.1209","0.0003","34.9719","0.0011","90","","93.131","0.003","90","","9039.4","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H63 B2 K2 N O12 -","- C42 H63 B2 K2 N O12 -","- C336 H504 B16 K16 N8 O96 -","8","1","","Wei, Haipeng; Liu, Yulan; Gopalakrishna, Tullimilli Y.; Phan, Hoa; Huang, Xiaobo; Bao, Lipiao; Guo, Jing; Zhou, Jun; Luo, Shenglian; Wu, Jishan; Zeng, Zebing","B-N-B Bond Embedded Phenalenyl and Its Anions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07375","","x-ray","1.54184","CuKα","","0.0917","0.0853","","","0.229","0.2361","","","","","","1.047","","","","has coordinates","202379","2020-10-21","18:00:00",""
"4126650","12.294","0.003","18.073","0.003","9.414","0.002","90","","111.761","0.007","90","","1942.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 B2 F N -","- C24 H20 B2 F N -","- C96 H80 B8 F4 N4 -","4","0.5","","Wei, Haipeng; Liu, Yulan; Gopalakrishna, Tullimilli Y.; Phan, Hoa; Huang, Xiaobo; Bao, Lipiao; Guo, Jing; Zhou, Jun; Luo, Shenglian; Wu, Jishan; Zeng, Zebing","B-N-B Bond Embedded Phenalenyl and Its Anions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07375","","","0.71073","MoKα","","0.0735","0.0468","","","0.1142","0.1286","","","","","","1.021","","","","has coordinates","202380","2020-10-21","18:00:00",""
"4126651","12.212","0.002","17.691","0.004","9.3962","0.0013","90","","112.471","0.002","90","","1875.8","0.6","130","","130","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 B2 N -","- C24 H21 B2 N -","- C96 H84 B8 N4 -","4","0.5","","Wei, Haipeng; Liu, Yulan; Gopalakrishna, Tullimilli Y.; Phan, Hoa; Huang, Xiaobo; Bao, Lipiao; Guo, Jing; Zhou, Jun; Luo, Shenglian; Wu, Jishan; Zeng, Zebing","B-N-B Bond Embedded Phenalenyl and Its Anions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07375","","","0.71073","MoKα","","0.0564","0.047","","","0.1425","0.154","","","","","","1.146","","","","has coordinates","202381","2020-10-21","18:00:00",""
"4126652","26.891","0.002","20.864","0.002","21.661","0.002","90","","113.626","0.002","90","","11134.3","1.7","130","2","130","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H77 B2 K2 N O13 -","- C52 H77 B2 K2 N O13 -","- C416 H616 B16 K16 N8 O104 -","8","1","","Wei, Haipeng; Liu, Yulan; Gopalakrishna, Tullimilli Y.; Phan, Hoa; Huang, Xiaobo; Bao, Lipiao; Guo, Jing; Zhou, Jun; Luo, Shenglian; Wu, Jishan; Zeng, Zebing","B-N-B Bond Embedded Phenalenyl and Its Anions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07375","","","0.71073","MoKα","","0.121","0.0681","","","0.1624","0.2016","","","","","","1.029","","","","has coordinates","202382","2020-10-21","18:00:00",""
"4126653","16.9073","0.001","28.4712","0.0018","13.7433","0.0008","90","","111.174","0.002","90","","6169","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H96 Li2 N2 O4 Si2 -","- C63 H96 Li2 N2 O4 Si2 -","- C252 H384 Li8 N8 O16 Si8 -","4","1","","Ji, Lei; Friedrich, Alexandra; Krummenacher, Ivo; Eichhorn, Antonius; Braunschweig, Holger; Moos, Michael; Hahn, Sebastian; Geyer, Florian L.; Tverskoy, Olena; Han, Jie; Lambert, Christoph; Dreuw, Andreas; Marder, Todd B.; Bunz, Uwe H. F.","Preparation, Properties, and Structures of the Radical Anions and Dianions of Azapentacenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09460","","","0.71073","MoKα","","0.0843","0.0647","","","0.1684","0.1821","","","","","","1.054","","","","has coordinates,has disorder","202383","2020-10-21","18:00:00",""
"4126654","11.36","0.007","12.649","0.008","14.052","0.009","79.07","0.03","76.04","0.02","64.377","0.017","1758.4","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H108 K N2 O10 Si2 -","- C70 H108 K N2 O10 Si2 -","- C70 H108 K N2 O10 Si2 -","1","0.5","","Ji, Lei; Friedrich, Alexandra; Krummenacher, Ivo; Eichhorn, Antonius; Braunschweig, Holger; Moos, Michael; Hahn, Sebastian; Geyer, Florian L.; Tverskoy, Olena; Han, Jie; Lambert, Christoph; Dreuw, Andreas; Marder, Todd B.; Bunz, Uwe H. F.","Preparation, Properties, and Structures of the Radical Anions and Dianions of Azapentacenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09460","","","0.71073","MoKα","","0.055","0.0374","","","0.0879","0.0966","","","","","","1.023","","","","has coordinates,has disorder","202383","2020-10-21","18:00:00",""
"4126655","15.139","0.004","17.386","0.003","15.866","0.004","90","","113.466","0.008","90","","3830.7","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H116 K2 N2 O14 Si2 -","- C74 H116 K2 N2 O14 Si2 -","- C148 H232 K4 N4 O28 Si4 -","2","0.5","","Ji, Lei; Friedrich, Alexandra; Krummenacher, Ivo; Eichhorn, Antonius; Braunschweig, Holger; Moos, Michael; Hahn, Sebastian; Geyer, Florian L.; Tverskoy, Olena; Han, Jie; Lambert, Christoph; Dreuw, Andreas; Marder, Todd B.; Bunz, Uwe H. F.","Preparation, Properties, and Structures of the Radical Anions and Dianions of Azapentacenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09460","","","0.71073","MoKα","","0.0455","0.0372","","","0.0927","0.0973","","","","","","1.059","","","","has coordinates,has disorder","202383","2020-10-21","18:00:00",""
"4126656","20.974","0.014","11.896","0.009","27.54","0.02","90","","104.7","0.03","90","","6646","8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H98 K N4 O9 Si2 -","- C64 H98 K N4 O9 Si2 -","- C256 H392 K4 N16 O36 Si8 -","4","1","","Ji, Lei; Friedrich, Alexandra; Krummenacher, Ivo; Eichhorn, Antonius; Braunschweig, Holger; Moos, Michael; Hahn, Sebastian; Geyer, Florian L.; Tverskoy, Olena; Han, Jie; Lambert, Christoph; Dreuw, Andreas; Marder, Todd B.; Bunz, Uwe H. F.","Preparation, Properties, and Structures of the Radical Anions and Dianions of Azapentacenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09460","","","0.71073","MoKα","","0.0912","0.0511","","","0.1044","0.1188","","","","","","1.012","","","","has coordinates,has disorder","202383","2020-10-21","18:00:00",""
"4126657","13.2873","0.001","16.8057","0.0011","28.318","0.002","90","","99.119","0.003","90","","6243.6","0.8","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","PhCBA+diene complex","","","- C123 H83 B2 F48 N4 P2 Rh -","- C123 H83 B2 F48 N4 P2 Rh -","- C246 H166 B4 F96 N8 P4 Rh2 -","2","1","","Marcum, Justin S.; Roberts, Courtney C.; Manan, Rajith S.; Cervarich, Tia N.; Meek, Simon J.","Chiral Pincer Carbodicarbene Ligands for Enantioselective Rhodium-Catalyzed Hydroarylation of Terminal and Internal 1,3-Dienes with Indoles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08575","","","0.71073","MoKα","","0.0555","0.045","","","0.1069","0.1125","","","","","","1.058","","","","has coordinates,has disorder","202384","2020-10-21","18:00:00",""
"4126658","9.1331","0.0009","16.6578","0.0017","22.867","0.002","90","","93.543","0.005","90","","3472.3","0.6","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C17 H29 Cl Co2 N7 Na O21.19 P2 -","- C17 H29 Cl Co2 N7 Na O21.194 P2 -","- C68 H116 Cl4 Co8 N28 Na4 O84.776 P8 -","4","1","","Thorarinsdottir, Agnes E.; Du, Kang; Collins, James H. P.; Harris, T. David","Ratiometric pH Imaging with a Co(II)2 MRI Probe via CEST Effects of Opposing pH Dependences.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08574","","","0.71073","MoKα","","0.0479","0.0448","","","0.1177","0.1198","","","","","","1.07","","","","has coordinates,has disorder","202414","2020-10-21","18:00:00",""
"4126659","9.1253","0.0009","16.6143","0.0015","23.152","0.002","90","","94.827","0.005","90","","3497.6","0.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Co2 N7 Na O20.8 P2 -","- C18 H28 Co2 N7 Na O20.8 P2 -","- C72 H112 Co8 N28 Na4 O83.2 P8 -","4","1","","Thorarinsdottir, Agnes E.; Du, Kang; Collins, James H. P.; Harris, T. David","Ratiometric pH Imaging with a Co(II)2 MRI Probe via CEST Effects of Opposing pH Dependences.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08574","","","0.71073","MoKα","","0.1302","0.129","","","0.3824","0.3852","","","","","","1.933","","","","has coordinates,has disorder","202415","2020-10-21","18:00:00",""
"4126660","32.766","0.007","19.797","0.004","55.404","0.011","90","","95.9","0.04","90","","35748","13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94.5 H105.5 Cl4.5 N4 O8 -","- C94.5 H105.5 Cl4.5 N4 O8 -","- C1512 H1688 Cl72 N64 O128 -","16","2","","Gao, Guangpeng; Liang, Ningning; Geng, Hua; Jiang, Wei; Fu, Huiting; Feng, Jiajing; Hou, Jianhui; Feng, Xinliang; Wang, Zhaohui","Spiro-Fused Perylene Diimide Arrays.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09140","","","0.71073","MoKα","","0.174","0.1616","","","0.4565","0.4774","","","","","","2.314","","","","has coordinates","202416","2020-10-21","18:00:00",""
"4126661","17.901","0.001","15.9347","0.0009","36.362","0.002","90","","93.276","0.002","90","","10355.2","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C150 H168 Mn31 N2 O84 -","- C150 H168 Mn31 N2 O84 -","- C300 H336 Mn62 N4 O168 -","2","0.5","","Abbasi, Parisa; Quinn, Kevan; Alexandropoulos, Dimitris I.; Damjanović, Marko; Wernsdorfer, Wolfgang; Escuer, Albert; Mayans, Julia; Pilkington, Melanie; Stamatatos, Theocharis C.","Transition Metal Single-Molecule Magnets: A {Mn31} Nano-sized Cluster with a Large Energy Barrier of ~60 K and Magnetic Hysteresis at ~5 K.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10130","","","0.71073","MoKα","","0.1239","0.0896","","","0.2436","0.2759","","","","","","1.133","","","","has coordinates","202449","2020-10-21","18:00:00",""
"4126662","12.007","0.003","12.007","0.003","6.4662","0.0017","90","","90","","120","","807.3","0.4","93","","93","","","","","","","","","3","P 31","P 31","144","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C30 H48 O12 -","3","1","","Hashimoto, Satoshi; Katoh, Shun-Ichiro; Kato, Takehiro; Urabe, Daisuke; Inoue, Masayuki","Total Synthesis of Resiniferatoxin Enabled by Radical-Mediated Three-Component Coupling and 7-endo Cyclization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10177","","","0.71075","MoKα","","","0.03","","","","0.0881","","","","","","1.004","","","","has coordinates","202482","2020-10-21","18:00:00",""
"4126663","15.2695","0.00018","19.6342","0.0002","12.6839","0.00014","90","","90","","90","","3802.69","0.07","100","","100","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C19 H28 O5 -","- C19 H28 O5 -","- C152 H224 O40 -","8","2","","Hashimoto, Satoshi; Katoh, Shun-Ichiro; Kato, Takehiro; Urabe, Daisuke; Inoue, Masayuki","Total Synthesis of Resiniferatoxin Enabled by Radical-Mediated Three-Component Coupling and 7-endo Cyclization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10177","","","1.54184","CuKα","","0.0396","0.0367","","","0.0941","0.098","","","","","","1.056","","","","has coordinates","202483","2020-10-21","18:00:00",""
"4126664","32.5048","0.0004","32.5048","0.0004","13.0046","0.0002","90","","90","","120","","11899.3","0.3","93","","93","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- C210 H222 O6 -","- C210 H222 O6 -","- C630 H666 O18 -","3","0.0833333","","Ube, Hitoshi; Yamada, Ryo; Ishida, Jun-Ichi; Sato, Hiroyasu; Shiro, Motoo; Shionoya, Mitsuhiko","A Circularly Arranged Sextuple Triptycene Gear Molecule.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09439","","","1.54187","CuKα","","0.1119","0.1081","","","0.3436","0.3545","","","","","","1.756","","","","has coordinates,has disorder","202484","2020-10-21","18:00:00",""
"4126665","12.0669","0.0015","17.883","0.002","26.759","0.003","90","","90","","90","","5774.4","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C94 H36 N2 O S4 -","- C94 H36 N2 O S4 -","- C376 H144 N8 O4 S16 -","4","1","","Hashikawa, Yoshifumi; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Palladium-Catalyzed Cyclization: Regioselectivity and Structure of Arene-Fused C60 Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09459","","","0.71073","MoKα","","0.1131","0.06","","","0.149","0.1911","","","","","","1.064","","","","has coordinates","202485","2020-10-21","18:00:00",""
"4126666","10.7378","0.0006","24.2061","0.0015","19.2129","0.0012","90","","104.9","0.0008","90","","4825.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82.75 H26 N2 O2 S1.5 -","- C82.75 H26 N2 O2 S1.5 -","- C331 H104 N8 O8 S6 -","4","1","","Hashikawa, Yoshifumi; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Palladium-Catalyzed Cyclization: Regioselectivity and Structure of Arene-Fused C60 Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09459","","","0.71073","MoKα","","0.0725","0.0613","","","0.1631","0.1752","","","","","","1.075","","","","has coordinates,has disorder","202486","2020-10-21","18:00:00",""
"4126667","11.7973","0.0008","16.8078","0.0011","14.2706","0.0009","90","","94.0714","0.0009","90","","2822.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C48 H21 N -","- C48 H21 N -","- C192 H84 N4 -","4","1","","Hashikawa, Yoshifumi; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Palladium-Catalyzed Cyclization: Regioselectivity and Structure of Arene-Fused C60 Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09459","","","0.71073","MoKα","","0.0557","0.0487","","","0.1256","0.136","","","","","","1.102","","","","has coordinates,has disorder","202487","2020-10-21","18:00:00",""
"4126668","10.8066","0.0012","23.95","0.003","19.315","0.002","90","","105.861","0.0018","90","","4808.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C85 H29 N2 O2 -","- C85 H29 N2 O2 -","- C340 H116 N8 O8 -","4","1","","Hashikawa, Yoshifumi; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Palladium-Catalyzed Cyclization: Regioselectivity and Structure of Arene-Fused C60 Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09459","","","0.71073","MoKα","","0.1505","0.0663","","","0.1334","0.1718","","","","","","1.026","","","","has coordinates,has disorder","202488","2020-10-21","18:00:00",""
"4126669","26.0154","0.0006","7.2638","0.0002","12.3046","0.0003","90","","94.652","0.002","90","","2317.55","0.1","160","2","160","2","","","","","","","","4","C 1 2 1","C 2y","5","","(3R,4aR,5R,6R)-3-((S)-but-3-en-2-yl)-6-((tert-butyldimethylsilyl)oxy)- 3-hydroxy-4a,5-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one","","- C22 H38 O3 Si -","- C22 H38 O3 Si -","- C88 H152 O12 Si4 -","4","1","","Liffert, Raphael; Linden, Anthony; Gademann, Karl","Total Synthesis of the Sesquiterpenoid Periconianone A Based on a Postulated Biogenesis.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10053","","","1.54184","CuKα","","0.0537","0.0398","","","0.1056","0.1105","","","","","","1.069","","","","has coordinates,has disorder","202524","2020-10-21","18:00:00",""
"4126670","25.2644","0.0006","7.33538","0.00018","12.3638","0.0003","90","","94.354","0.002","90","","2284.7","0.1","160","2","160","2","","","","","","","","4","C 1 2 1","C 2y","5","","(3R,4aR,5R,6R)-3-((R)-but-3-en-2-yl)-6-((tert-butyldimethylsilyl)oxy)- 3-hydroxy-4a,5-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one","","- C22 H38 O3 Si -","- C22 H38 O3 Si -","- C88 H152 O12 Si4 -","4","1","","Liffert, Raphael; Linden, Anthony; Gademann, Karl","Total Synthesis of the Sesquiterpenoid Periconianone A Based on a Postulated Biogenesis.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10053","","x-ray","1.54184","CuKα","","0.0475","0.044","","","0.1191","0.1229","","","","","","1.029","","","","has coordinates,has disorder","202524","2020-10-21","18:00:00",""
"4126671","13.1087","0.0004","13.885","0.0005","16.7103","0.0006","96.342","0.003","92.163","0.003","96.751","0.003","2997.97","0.18","150","2","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C62 H59 Al B F20 P Ru S -","- C62 H59 Al B F20 P Ru S -","- C124 H118 Al2 B2 F40 P2 Ru2 S2 -","2","1","","Forster, Francis; Metsanen, Toni T.; Irran, Elisabeth; Hrobarik, Peter; Oestreich, Martin","Cooperative Al-H Bond Activation in DIBAL-H: Catalytic Generation of an Alumenium-Ion-Like Lewis Acid for Hydrodefluorinative Friedel-Crafts Alkylation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09444","","x-ray","1.54184","CuKα","","0.052","0.04","","","0.0952","0.1052","","","","","","1.033","","","","has coordinates,has disorder","202560","2020-10-21","18:00:00",""
"4126672","12.6837","0.0004","16.9732","0.0004","18.0405","0.0005","95.332","0.002","99.221","0.003","104.606","0.003","3673.41","0.19","150","2","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C80 H82 Al B F21 P Ru S -","- C80 H82 Al B F21 P Ru S -","- C160 H164 Al2 B2 F42 P2 Ru2 S2 -","2","1","","Forster, Francis; Metsanen, Toni T.; Irran, Elisabeth; Hrobarik, Peter; Oestreich, Martin","Cooperative Al-H Bond Activation in DIBAL-H: Catalytic Generation of an Alumenium-Ion-Like Lewis Acid for Hydrodefluorinative Friedel-Crafts Alkylation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09444","","x-ray","1.54184","CuKα","","0.0766","0.0643","","","0.192","0.1996","","","","","","1.082","","","","has coordinates","202560","2020-10-21","18:00:00",""
"4126673","23.578","0.004","15.289","0.003","24.926","0.005","90","","97.152","0.002","90","","8916","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Gd9","","","- C44 H120 Gd9 N15 O52 -","- C44 H120 Gd9 N15 O52 -","- C176 H480 Gd36 N60 O208 -","4","1","","Qin, Lei; Zhou, Guojun; Yu, You-Zhu; Nojiri, Hiroyuki; Schröder, Christian; Winpenny, Richard E. P.; Zheng, Yan-Zhen","Topological Self-Assembly of Highly-Symmetric Lanthanide Clusters: A Magnetic Study of Exchange-Coupling ""Fingerprints"" in Giant Gadolinium(III) Cages.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09996","","","0.71073","MoKα","","0.0961","0.0685","","","0.1335","0.152","","","","","","1.162","","","","has coordinates","202561","2020-10-21","18:00:00",""
"4126674","20.23","0.002","30.537","0.003","28.675","0.003","90","","90","","90","","17714","3","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Gd15","","","- C50 H130 Cl Gd15 O70 -","- C50 H130 Cl Gd15 O70 -","- C200 H520 Cl4 Gd60 O280 -","4","0.5","","Qin, Lei; Zhou, Guojun; Yu, You-Zhu; Nojiri, Hiroyuki; Schröder, Christian; Winpenny, Richard E. P.; Zheng, Yan-Zhen","Topological Self-Assembly of Highly-Symmetric Lanthanide Clusters: A Magnetic Study of Exchange-Coupling ""Fingerprints"" in Giant Gadolinium(III) Cages.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09996","","","0.71073","MoKα","","0.0647","0.0554","","","0.1481","0.1563","","","","","","1.09","","","","has coordinates","202561","2020-10-21","18:00:00",""
"4126675","21.2461","0.0011","21.2461","0.0011","52.718","0.005","90","","90","","120","","20609","2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","Gd20","","","- C170 H102 Cl30 Gd20 N36 O101 -","- C170 H102 Cl30 Gd20 N36 O101 -","- C510 H306 Cl90 Gd60 N108 O303 -","3","0.166667","","Qin, Lei; Zhou, Guojun; Yu, You-Zhu; Nojiri, Hiroyuki; Schröder, Christian; Winpenny, Richard E. P.; Zheng, Yan-Zhen","Topological Self-Assembly of Highly-Symmetric Lanthanide Clusters: A Magnetic Study of Exchange-Coupling ""Fingerprints"" in Giant Gadolinium(III) Cages.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09996","","","0.71073","MoKα","","0.0469","0.0363","","","0.113","0.1198","","","","","","1.077","","","","has coordinates","202561","2020-10-21","18:00:00",""
"4126676","19.4129","0.0007","19.4129","0.0007","19.4129","0.0007","90","","90","","90","","7316","0.5","100","2","100","2","","","","","","","","5","P m -3","-P 2 2 3","200","Gd32","","","- C72 H168 Gd32 N24 O156 -","- C72 H168 Gd32 N24 O156 -","- C72 H168 Gd32 N24 O156 -","1","0.0416667","","Qin, Lei; Zhou, Guojun; Yu, You-Zhu; Nojiri, Hiroyuki; Schröder, Christian; Winpenny, Richard E. P.; Zheng, Yan-Zhen","Topological Self-Assembly of Highly-Symmetric Lanthanide Clusters: A Magnetic Study of Exchange-Coupling ""Fingerprints"" in Giant Gadolinium(III) Cages.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09996","","","0.71073","MoKα","","0.1398","0.1075","","","0.225","0.2546","","","","","","1.113","","","","has coordinates","202561","2020-10-21","18:00:00",""
"4126677","24.503","0.002","25.028","0.002","42.535","0.003","90.571","0.001","103.56","0.001","108.229","0.001","23987","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C312 H704 Cl76 Gd100 O616 -","- C312 H704 Cl76 Gd100 O616 -","- C312 H704 Cl76 Gd100 O616 -","1","0.5","","Qin, Lei; Zhou, Guojun; Yu, You-Zhu; Nojiri, Hiroyuki; Schröder, Christian; Winpenny, Richard E. P.; Zheng, Yan-Zhen","Topological Self-Assembly of Highly-Symmetric Lanthanide Clusters: A Magnetic Study of Exchange-Coupling ""Fingerprints"" in Giant Gadolinium(III) Cages.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09996","","","0.71073","MoKα","","0.0998","0.0663","","","0.1715","0.1958","","","","","","1.053","","","","has coordinates","202561","2020-10-21","18:00:00",""
"4126678","29.532","0.0003","29.532","0.0003","26.7755","0.0007","90","","90","","90","","23352","0.7","100","2","100","2","","","","","","","","5","P 4/n","-P 4a","85","","","","- C148 H364 Gd60 N8 O264 -","- C148 H364 Gd60 N8 O264 -","- C296 H728 Gd120 N16 O528 -","2","","","Qin, Lei; Zhou, Guojun; Yu, You-Zhu; Nojiri, Hiroyuki; Schröder, Christian; Winpenny, Richard E. P.; Zheng, Yan-Zhen","Topological Self-Assembly of Highly-Symmetric Lanthanide Clusters: A Magnetic Study of Exchange-Coupling ""Fingerprints"" in Giant Gadolinium(III) Cages.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09996","","","0.71073","MoKα","","0.1431","0.1084","","","0.1974","0.2137","","","","","","0.999","","","","has coordinates,has disorder","202561","2020-10-21","18:00:00",""
"4126679","10.9331","0.0007","12.8305","0.0008","14.1647","0.0008","106.347","0.003","90.868","0.003","97.639","0.004","1886.8","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","SIA-VI-113","hartwig140","","- C46 H41 F2 Fe N O2 P2 Pd -","- C46 H41 F2 Fe N O2 P2 Pd -","- C92 H82 F4 Fe2 N2 O4 P4 Pd2 -","2","1","","Arlow, Sophie I.; Hartwig, John F.","Synthesis, Characterization, and Reactivity of Palladium Fluoroenolate Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09949","","","0.71073","MoKα","","0.0511","0.0391","","","0.098","0.1048","","","","","","1.039","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4126680","10.918","0.0006","32.2289","0.0019","11.2271","0.0007","90","","113.106","0.001","90","","3633.6","0.4","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","SIA-92","hartwig131","","- C39 H35 Br Cl2 F2 Fe O2 P2 Pd -","- C39 H35 Br Cl2 F2 Fe O2 P2 Pd -","- C156 H140 Br4 Cl8 F8 Fe4 O8 P8 Pd4 -","4","1","","Arlow, Sophie I.; Hartwig, John F.","Synthesis, Characterization, and Reactivity of Palladium Fluoroenolate Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09949","","","0.71073","MoKα","","0.0695","0.0659","","","0.1664","0.169","","","","","","1.064","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4126681","11.2279","0.0004","18.1228","0.0006","19.9202","0.0007","99.664","0.001","103.879","0.002","100.633","0.001","3770.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","SIA-VI-210","hartwig143","","- C44.5 H39 F2 Fe N P2 Pd -","- C44.5 H39 F2 Fe N P2 Pd -","- C178 H156 F8 Fe4 N4 P8 Pd4 -","4","2","","Arlow, Sophie I.; Hartwig, John F.","Synthesis, Characterization, and Reactivity of Palladium Fluoroenolate Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09949","","","0.71073","MoKα","","0.0538","0.0374","","","0.0852","0.0944","","","","","","1.041","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4126682","43.7168","0.0017","11.0409","0.0004","17.2876","0.0007","90","","112.599","0.002","90","","7703.6","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","SIA-VI-191","hartwig139","","- C92 H88 F2 Fe2 O5 P4 Pd2 -","- C92 H88 F2 Fe2 O5 P4 Pd2 -","- C368 H352 F8 Fe8 O20 P16 Pd8 -","4","0.5","","Arlow, Sophie I.; Hartwig, John F.","Synthesis, Characterization, and Reactivity of Palladium Fluoroenolate Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09949","","","0.71073","MoKα","","0.0338","0.03","","","0.0658","0.0681","","","","","","1.089","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4126683","15.9427","0.0005","16.2365","0.0006","19.4196","0.0008","90","","114.063","0.001","90","","4590","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","SIA-110-B","hartwig136","","- C46 H42 Cl2 F2 Fe O2 P2 Pd -","- C46 H42 Cl2 F2 Fe O2 P2 Pd -","- C184 H168 Cl8 F8 Fe4 O8 P8 Pd4 -","4","1","","Arlow, Sophie I.; Hartwig, John F.","Synthesis, Characterization, and Reactivity of Palladium Fluoroenolate Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09949","","","0.71073","MoKα","","0.0687","0.0398","","","0.0841","0.0954","","","","","","1.026","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4126684","18.049","0.001","10.5004","0.0006","23.227","0.0012","90","","109.977","0.001","90","","4137.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","SA-V237","hartwig114","","- C43 H37 Br F2 O3 P2 Pd -","- C43 H37 Br F2 O3 P2 Pd -","- C172 H148 Br4 F8 O12 P8 Pd4 -","4","1","","Arlow, Sophie I.; Hartwig, John F.","Synthesis, Characterization, and Reactivity of Palladium Fluoroenolate Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09949","","","0.71073","MoKα","","0.0367","0.0298","","","0.0681","0.0724","","","","","","1.09","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4126685","17.6477","0.0019","5.882","0.0007","17.6454","0.0016","90","","91.238","0.008","90","","1831.2","0.3","133","2","133","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 -","- C26 H22 -","- C104 H88 -","4","0.5","","Zhang, Haoke; Zheng, Xiaoyan; Xie, Ni; He, Zikai; Liu, Junkai; Leung, Nelson L. C.; Niu, Yingli; Huang, Xuhui; Wong, Kam Sing; Kwok, Ryan T. K.; Sung, Herman H. Y.; Williams, Ian D.; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong","Why do simple molecules with ""isolated"" phenyl rings emit visible light?","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08592","","","1.54178","CuKα","","0.0576","0.0541","","","0.1467","0.1506","","","","","","1.015","","","","has coordinates,has disorder","202568","2020-10-21","18:00:00",""
"4126686","5.1628","0.0004","7.1504","0.0004","21.1147","0.0015","87.481","0.005","88.173","0.006","70.205","0.006","732.58","0.09","99.94","0.18","99.94","0.18","","","","","","","","2","P -1","-P 1","2","","","","- C19 H24 -","- C19 H24 -","- C38 H48 -","2","1","","Zhang, Haoke; Zheng, Xiaoyan; Xie, Ni; He, Zikai; Liu, Junkai; Leung, Nelson L. C.; Niu, Yingli; Huang, Xuhui; Wong, Kam Sing; Kwok, Ryan T. K.; Sung, Herman H. Y.; Williams, Ian D.; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong","Why do simple molecules with ""isolated"" phenyl rings emit visible light?","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08592","","x-ray","0.71073","MoKα","","0.047","0.041","","","0.1141","0.1188","","","","","","1.001","","","","has coordinates","202569","2020-10-21","18:00:00",""
"4126687","21.442","0.002","7.168","0.0006","19.93","0.003","90","","93.547","0.011","90","","3057.3","0.6","100","0.1","100","0.1","","","","","","","","2","P 1 2/c 1","-P 2yc","13","","","","- C38 H46 -","- C38 H46 -","- C152 H184 -","4","1","","Zhang, Haoke; Zheng, Xiaoyan; Xie, Ni; He, Zikai; Liu, Junkai; Leung, Nelson L. C.; Niu, Yingli; Huang, Xuhui; Wong, Kam Sing; Kwok, Ryan T. K.; Sung, Herman H. Y.; Williams, Ian D.; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong","Why do simple molecules with ""isolated"" phenyl rings emit visible light?","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08592","","x-ray","0.71073","MoKα","","0.1292","0.0596","","","0.0959","0.1164","","","","","","1.001","","","","has coordinates","202570","2020-10-21","18:00:00",""
"4126688","6.0618","0.0003","18.1122","0.001","16.8821","0.001","90","","92.091","0.003","90","","1852.29","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 4-(1-oxo-4-phenyl-1-(pyrrolidin-1-yl)butan-2-yl)tetrahydro- 2H-pyran-4-carboxylate","","- C21 H29 N O4 -","- C21 H29 N O4 -","- C84 H116 N4 O16 -","4","1","","Kaiser, Daniel; Teskey, Christopher J.; Adler, Pauline; Maulide, Nuno","Chemoselective Intermolecular Cross-Enolate-Type Coupling of Amides","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08813","","x-ray","0.71073","MoKα","","0.0604","0.0429","","","0.1048","0.1149","","","","","","1.068","","","","has coordinates,has disorder","202571","2020-10-21","18:00:00",""
"4126689","17.8604","0.0014","5.8441","0.0005","17.27","0.0014","90","","104.184","0.003","90","","1747.7","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(R*)-1-methyl-3-((S*)-1-oxo-4-phenyl-1-(pyrrolidin-1-yl) butan-2-yl)piperidin-2-one","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C80 H112 N8 O8 -","4","1","","Kaiser, Daniel; Teskey, Christopher J.; Adler, Pauline; Maulide, Nuno","Chemoselective Intermolecular Cross-Enolate-Type Coupling of Amides","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08813","","x-ray","0.71073","MoKα","","0.049","0.0407","","","0.1071","0.1128","","","","","","1.051","","","","has coordinates","202572","2020-10-21","18:00:00",""
"4126690","10.7915","0.0009","18.6255","0.0015","20.4579","0.0016","90","","90.824","0.001","90","","4111.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H58 Mo N2 O -","- C47 H58 Mo N2 O -","- C188 H232 Mo4 N8 O4 -","4","1","","Townsend, Erik M.; Schrock, Richard R.; Hoveyda, Amir H.","Correction to “Z-Selective Metathesis Homocoupling of 1,3-Dienes by Molybdenum and Tungsten Monoaryloxide Pyrrolide (MAP) Complexes”","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11214","","","0.71073","MoKα","","0.0372","0.0291","","","0.0697","0.0749","","","","","","1.042","","","","has coordinates","202903","2020-10-21","18:00:00",""
"4126691","9.241","0.0017","10.377","0.002","11.494","0.002","103.354","0.005","91.074","0.005","105.323","0.005","1030.5","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C47 H54 Au Cl3 N O2 P -","- C47 H48 Au Cl3 N O2 P -","- C47 H48 Au Cl3 N O2 P -","1","1","","Wang, Zhixun; Nicolini, Corrado; Hervieu, Cedric; Wong, Yuk-Fai; Zanoni, Giuseppe; Zhang, Liming","Remote Cooperative Group Strategy Enables Ligands for Accelera-tive Asymmetric Gold Catalysis.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09136","","","0.71073","MoKα","","0.0366","0.0353","","","0.0619","0.0625","","","","","","1.032","","","","has coordinates","202904","2020-10-21","18:00:00",""
"4126692","54.583","0.004","14.563","0.0012","25.285","0.002","90","","110.778","0.002","90","","18792","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C197 H252 N12 S8 Si4 -","- C197 H252 N12 S8 Si4 -","- C788 H1008 N48 S32 Si16 -","4","0.5","","Wang, Yuzhong; Hickox, Hunter P.; Xie, Yaoming; Wei, Pingrong; Schaefer, Henry F.; Robinson, Gregory H.","Facile Conversion of Bis-Silylene to Cyclic Silylene Isomers: Unexpected C-N and C-H Bond Cleavage.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10325","","","0.71073","MoKα","","0.1544","0.0997","","","0.2247","0.2499","","","","","","1.094","","","","has coordinates,has disorder","202905","2020-10-21","18:00:00",""
"4126693","17.7211","0.0015","27.855","0.002","18.2418","0.0016","90","","92.844","0.003","90","","8993.4","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C95 H122 N6 S4 Si2 -","- C95 H122 N6 S4 Si2 -","- C380 H488 N24 S16 Si8 -","4","1","","Wang, Yuzhong; Hickox, Hunter P.; Xie, Yaoming; Wei, Pingrong; Schaefer, Henry F.; Robinson, Gregory H.","Facile Conversion of Bis-Silylene to Cyclic Silylene Isomers: Unexpected C-N and C-H Bond Cleavage.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10325","","","0.71073","MoKα","","0.0859","0.0669","","","0.176","0.1883","","","","","","1.068","","","","has coordinates,has disorder","202906","2020-10-21","18:00:00",""
"4126694","33.97003","0.00008","33.97003","0.00008","33.97003","0.00008","90","","90","","90","","39200.2","0.16","273","2","273","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C147 H100.5 Cl N4.5 O36 Zr4 -","- C147 H100.5 Cl N4.5 O36 Zr3.9999 -","- C1176 H804 Cl8 N36 O288 Zr31.9992 -","8","0.333333","","He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian","Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09463","","","1.54178","CuKα","","0.0434","0.0399","","","0.1134","0.1167","","","","","","1.054","","","","has coordinates","202907","2020-10-21","18:00:00",""
"4126695","33.3817","0.0002","33.3817","0.0002","33.3817","0.0002","90","","90","","90","","37198.5","0.4","273","2","273","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C150 H103.5 Cl N4.5 O39 Ti4 -","- C150 H103.5 Cl N4.5 O39 Ti4 -","- C1200 H828 Cl8 N36 O312 Ti32 -","8","0.333333","","He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian","Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09463","","","1.54178","CuKα","","0.0596","0.0585","","","0.1684","0.1701","","","","","","1.068","","","","has coordinates","202908","2020-10-21","18:00:00",""
"4126696","29.3544","0.0004","20.5702","0.0004","35.6726","0.0006","90","","95.963","0.002","90","","21423.5","0.6","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C162 H130 Eu2 N8 O55 Ti4 -","- C162 H130 Eu2 N8 O55 Ti4 -","- C648 H520 Eu8 N32 O220 Ti16 -","4","0.5","","He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian","Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09463","","","1.54178","CuKα","","0.0944","0.0846","","","0.2359","0.2467","","","","","","1.02","","","","has coordinates","202909","2020-10-21","18:00:00",""
"4126697","22.2694","0.0005","30.5743","0.0007","58.7419","0.0016","90","","92.957","0.002","90","","39942.4","1.7","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C128 H66 N0 O49 Tb2 Ti4 -","- C128 H66 O49 Tb2 Ti4 -","- C1024 H528 O392 Tb16 Ti32 -","8","1","","He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian","Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09463","","","1.54178","CuKα","","0.1436","0.1158","","","0.3174","0.3397","","","","","","1.184","","","","has coordinates","202910","2020-10-21","18:00:00",""
"4126698","25.1468","0.0007","25.1468","0.0007","41.5163","0.0012","90","","90","","120","","22736","1.1","273","2","273","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C147 H102 Co3 N3 O54 Ti4 -","- C147 H102 Co3 N3 O54 Ti4 -","- C588 H408 Co12 N12 O216 Ti16 -","4","0.333333","","He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian","Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09463","","","1.54178","CuKα","","0.107","0.0848","","","0.2561","0.274","","","","","","1.036","","","","has coordinates","202911","2020-10-21","18:00:00",""
"4126699","33.4281","0.0004","33.4281","0.0004","33.4281","0.0004","90","","90","","90","","37353.8","0.8","273","2","273","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C147 H100.5 Cl Hf4 N4.5 O36 -","- C147 H100.5 Cl Hf4 N4.5 O36 -","- C1176 H804 Cl8 Hf32 N36 O288 -","8","0.333333","","He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian","Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09463","","","0.71073","MoKα","","0.0398","0.0378","","","0.1147","0.1187","","","","","","1.097","","","","has coordinates","202912","2020-10-21","18:00:00",""
"4126700","26.0097","0.0002","26.0097","0.0002","26.0097","0.0002","90","","90","","90","","17595.7","0.2","273","2","273","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C138 H75 Eu N0 O39 Ti4 -","- C138 H75 Eu O39 Ti4 -","- C552 H300 Eu4 O156 Ti16 -","4","0.333333","","He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian","Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09463","","","0.71073","MoKα","","0.1053","0.0727","","","0.1863","0.1971","","","","","","1.031","","","","has coordinates","202914","2020-10-21","18:00:00",""
"4126701","38.4922","0.0007","41.1905","0.0006","50.5849","0.0007","90","","90","","90","","80203","2","273","2","273","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C148 H98 N4 O38 Ti4 -","- C148 H98 N4 O38 Ti4 -","- C2368 H1568 N64 O608 Ti64 -","16","0.5","","He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian","Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09463","","","1.54178","CuKα","","0.0906","0.067","","","0.1819","0.1992","","","","","","0.922","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4126702","17.1871","0.0004","13.8483","0.0003","17.3512","0.0004","90","","111.488","0.002","90","","3842.75","0.16","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H54 Br Cl N6 Ni2 -","- C39.5 H54 Br Cl N6 Ni2 -","- C158 H216 Br4 Cl4 N24 Ni8 -","4","1","","Manz, Dennis-Helmut; Duan, Peng-Cheng; Dechert, Sebastian; Demeshko, Serhiy; Oswald, Rainer; John, Michael; Mata, Ricardo A.; Meyer, Franc","Pairwise H2/D2 Exchange and H2 Substitution at a Bimetallic Dinickel(II) Complex Featuring Two Terminal Hydrides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08629","","","0.71073","MoKα","","0.0467","0.0355","","","0.087","0.0912","","","","","","1.031","","","","has coordinates,has disorder","202916","2020-10-21","18:00:00",""
"4126703","15.7726","0.0003","17.7079","0.0003","27.8404","0.0005","90","","98.879","0.001","90","","7682.6","0.2","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H55 K N6 Ni2 -","- C39 H55 K N6 Ni2 -","- C312 H440 K8 N48 Ni16 -","8","2","","Manz, Dennis-Helmut; Duan, Peng-Cheng; Dechert, Sebastian; Demeshko, Serhiy; Oswald, Rainer; John, Michael; Mata, Ricardo A.; Meyer, Franc","Pairwise H2/D2 Exchange and H2 Substitution at a Bimetallic Dinickel(II) Complex Featuring Two Terminal Hydrides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08629","","","0.71073","MoKα","","0.046","0.0342","","","0.0795","0.0833","","","","","","1.004","","","","has coordinates,has disorder","202916","2020-10-21","18:00:00",""
"4126704","11.1496","0.0005","13.0401","0.0007","17.3856","0.0008","110.631","0.004","94.584","0.004","98.545","0.004","2315.3","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H71 N6 Na Ni2 O2 -","- C47 H71 N6 Na Ni2 O2 -","- C94 H142 N12 Na2 Ni4 O4 -","2","1","","Manz, Dennis-Helmut; Duan, Peng-Cheng; Dechert, Sebastian; Demeshko, Serhiy; Oswald, Rainer; John, Michael; Mata, Ricardo A.; Meyer, Franc","Pairwise H2/D2 Exchange and H2 Substitution at a Bimetallic Dinickel(II) Complex Featuring Two Terminal Hydrides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08629","","","0.71073","MoKα","","0.0491","0.0355","","","0.0854","0.0896","","","","","","0.991","","","","has coordinates","202916","2020-10-21","18:00:00",""
"4126705","26.6234","0.0004","23.4343","0.0003","23.2487","0.0003","90","","94.729","0.001","90","","14455.5","0.3","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H105.58 K N6 Ni2 O9 -","- C71 H105.576 K N6 Ni2 O9 -","- C568 H844.608 K8 N48 Ni16 O72 -","8","1","","Manz, Dennis-Helmut; Duan, Peng-Cheng; Dechert, Sebastian; Demeshko, Serhiy; Oswald, Rainer; John, Michael; Mata, Ricardo A.; Meyer, Franc","Pairwise H2/D2 Exchange and H2 Substitution at a Bimetallic Dinickel(II) Complex Featuring Two Terminal Hydrides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08629","","","0.71073","MoKα","","0.0521","0.0402","","","0.095","0.102","","","","","","1.088","","","","has coordinates,has disorder","202916","2020-10-21","18:00:00",""
"4126706","12.1168","0.0003","12.6383","0.0003","40.8254","0.001","92.634","0.002","97.043","0.002","113.936","0.002","5639.4","0.3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H83 K N6 Ni2 O3 -","- C59 H83 K N6 Ni2 O3 -","- C236 H332 K4 N24 Ni8 O12 -","4","2","","Manz, Dennis-Helmut; Duan, Peng-Cheng; Dechert, Sebastian; Demeshko, Serhiy; Oswald, Rainer; John, Michael; Mata, Ricardo A.; Meyer, Franc","Pairwise H2/D2 Exchange and H2 Substitution at a Bimetallic Dinickel(II) Complex Featuring Two Terminal Hydrides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08629","","","0.71073","MoKα","","0.059","0.0406","","","0.0954","0.1011","","","","","","1.021","","","","has coordinates,has disorder","202916","2020-10-21","18:00:00",""
"4126707","8.76752","0.00016","24.8251","0.0004","13.7094","0.0003","90","","103.145","0.002","90","","2905.73","0.1","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H40 Cl2 N2 Ru -","- C31 H40 Cl2 N2 Ru -","- C124 H160 Cl8 N8 Ru4 -","4","1","","Engel, Julien; Smit, Wietse; Foscato, Marco; Occhipinti, Giovanni; Törnroos, Karl W; Jensen, Vidar R.","Loss and Reformation of Ruthenium Alkylidene: Connecting Olefin Metathesis, Catalyst Deactivation, Regeneration, and Isomerization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07694","","","0.6999","synchrotron,Si(111)","","0.0596","0.0483","","","0.1233","0.1303","","","","","","1.027","","","","has coordinates","202951","2020-10-21","18:00:00",""
"4126708","29.1059","0.0015","22.5991","0.001","25.324","0.0013","90","","121.121","0.009","90","","14259.9","1.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H69 Li4 N3 O27 Ti2 -","- C63 H69 Li4 N3 O27 Ti2 -","- C504 H552 Li32 N24 O216 Ti16 -","8","1","","Van Craen, David; Rath, Wolfgang H.; Huth, Marina; Kemp, Laura; Räuber, Christoph; Wollschläger, Jan M; Schalley, Christoph A.; Valkonen, Arto; Rissanen, Kari; Albrecht, Markus","Chasing Weak Forces: Hierarchically Assembled Helicates as a Probe for the Evaluation of the Energetics of Weak Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10098","","","1.54184","CuKα","","0.3142","0.126","","","0.3123","0.405","","","","","","1.063","","","","has coordinates,has disorder","203005","2020-10-21","18:00:00",""
"4126709","14.2867","0.0001","27.4625","0.0003","19.3402","0.0002","90","","95.607","0.001","90","","7551.79","0.13","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H78 Li4 O27 Ti2 -","- C72 H78 Li4 O27 Ti2 -","- C288 H312 Li16 O108 Ti8 -","4","1","","Van Craen, David; Rath, Wolfgang H.; Huth, Marina; Kemp, Laura; Räuber, Christoph; Wollschläger, Jan M; Schalley, Christoph A.; Valkonen, Arto; Rissanen, Kari; Albrecht, Markus","Chasing Weak Forces: Hierarchically Assembled Helicates as a Probe for the Evaluation of the Energetics of Weak Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10098","","","1.54184","CuKα","","0.0483","0.0414","","","0.108","0.113","","","","","","1.038","","","","has coordinates,has disorder","203006","2020-10-21","18:00:00",""
"4126710","20.8829","0.0008","24.6072","0.0004","31.9981","0.0006","90","","95.362","0.002","90","","16370.9","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C639.4 H781.8 Li28 O231 Ti16 -","- C639.4 H781.8 Li28 O231 Ti16 -","- C639.4 H781.8 Li28 O231 Ti16 -","1","0.25","","Van Craen, David; Rath, Wolfgang H.; Huth, Marina; Kemp, Laura; Räuber, Christoph; Wollschläger, Jan M; Schalley, Christoph A.; Valkonen, Arto; Rissanen, Kari; Albrecht, Markus","Chasing Weak Forces: Hierarchically Assembled Helicates as a Probe for the Evaluation of the Energetics of Weak Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10098","","","0.71073","MoKα","","0.1244","0.0834","","","0.2084","0.2347","","","","","","1.068","","","","has coordinates,has disorder","203007","2020-10-21","18:00:00",""
"4126711","10.858","0.002","12.219","0.002","35.608","0.007","90","","90","","90","","4724.3","1.5","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","{(Boryl)SmCl2(THF)2LiCl(THF)2}","","","- C42 H68 B Cl3 Li N2 O4 Sm -","- C42 H68 B Cl3 Li N2 O4 Sm -","- C168 H272 B4 Cl12 Li4 N8 O16 Sm4 -","4","1","","Wang, Baoli; Luo, Gen; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin","Cooperative Trimerization of Carbon Monoxide by Lithium and Samarium Boryls.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10108","","","0.71073","MoKα","","0.0476","0.0362","","","0.0708","0.0743","","","","","","1.077","","","","has coordinates,has disorder","203008","2020-10-21","18:00:00",""
"4126712","10.858","0.004","12.779","0.005","35.995","0.011","90","","90","","90","","4994","3","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","{(Boryl)Sm[C(O)]Cl2(THF)2LiCl(THF)2}","","","- C43 H68 B Cl3 Li N2 O5 Sm -","- C43 H68 B Cl3 Li N2 O5 Sm -","- C172 H272 B4 Cl12 Li4 N8 O20 Sm4 -","4","1","","Wang, Baoli; Luo, Gen; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin","Cooperative Trimerization of Carbon Monoxide by Lithium and Samarium Boryls.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10108","","","0.71073","MoKα","","0.032","0.0308","","","0.0778","0.0783","","","","","","1.155","","","","has coordinates,has disorder","203008","2020-10-21","18:00:00",""
"4126713","13.02","0.0016","28.936","0.004","20.195","0.003","90","","92.81","0.005","90","","7599.3","1.8","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","{Cl2Sm[OC(Boryl)C(O)C(Boryl)]LiCl(THF)4}","","","- C75 H112 B2 Cl2 Li N4 O8 Sm -","- C75 H112 B2 Cl2 Li N4 O8 Sm -","- C300 H448 B8 Cl8 Li4 N16 O32 Sm4 -","4","1","","Wang, Baoli; Luo, Gen; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin","Cooperative Trimerization of Carbon Monoxide by Lithium and Samarium Boryls.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10108","","","0.71073","MoKα","","0.0474","0.0402","","","0.1061","0.1112","","","","","","1.079","","","","has coordinates,has disorder","203008","2020-10-21","18:00:00",""
"4126714","10.5952","0.0005","38.7321","0.0017","20.711","0.0011","90","","103.137","0.005","90","","8276.8","0.7","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","{[(Boryl)2(C4O4)]Li2(THF)4}","","","- C84 H128 B2 Li2 N4 O11 -","- C84 H115 B2 Li2 N4 O11 -","- C336 H460 B8 Li8 N16 O44 -","4","1","","Wang, Baoli; Luo, Gen; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin","Cooperative Trimerization of Carbon Monoxide by Lithium and Samarium Boryls.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10108","","","0.71073","MoKα","","0.1252","0.0883","","","0.2407","0.272","","","","","","1.04","","","","has coordinates,has disorder","203008","2020-10-21","18:00:00",""
"4126715","10.4074","0.0004","13.5526","0.0006","14.7595","0.0006","90","","102.749","0.002","90","","2030.46","0.15","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H37 O2 -","- C29 H37 O2 -","- C116 H148 O8 -","4","1","","Fokin, Andrey A.; Zhuk, Tatyana S.; Blomeyer, Sebastian; Pérez, Cristóbal; Chernish, Lesya V.; Pashenko, Alexander E.; Antony, Jens; Vishnevskiy, Yury V.; Berger, Raphael J. F.; Grimme, Stefan; Logemann, Christian; Schnell, Melanie; Mitzel, Norbert W.; Schreiner, Peter R.","Intramolecular London Dispersion Interaction Effects on Gas-Phase and Solid-State Structures of Diamondoid Dimers.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07884","","","0.71073","MoKα","","0.0803","0.0528","","","0.1106","0.1214","","","","","","1.043","","","","has coordinates","203009","2020-10-21","18:00:00",""
"4126716","10.3572","0.0011","13.5376","0.0018","12.8603","0.0012","90","","90","","90","","1803.2","0.3","193","2","193","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C26 H34 O2 -","- C26 H34 O2 -","- C104 H136 O8 -","4","0.5","","Fokin, Andrey A.; Zhuk, Tatyana S.; Blomeyer, Sebastian; Pérez, Cristóbal; Chernish, Lesya V.; Pashenko, Alexander E.; Antony, Jens; Vishnevskiy, Yury V.; Berger, Raphael J. F.; Grimme, Stefan; Logemann, Christian; Schnell, Melanie; Mitzel, Norbert W.; Schreiner, Peter R.","Intramolecular London Dispersion Interaction Effects on Gas-Phase and Solid-State Structures of Diamondoid Dimers.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07884","","","0.71073","MoKα","","0.0485","0.0428","","","0.1175","0.1218","","","","","","1.049","","","","has coordinates","203010","2020-10-21","18:00:00",""
"4126717","9.763","0.0003","10.5338","0.0003","13.3513","0.0004","90","","90","","90","","1373.07","0.07","20","2","20","2","","","","","","","","5","P n m a","-P 2ac 2n","62","FeCl3(PMe3)2","","","- C6 H18 Cl3 Fe P2 -","- C6 H18 Cl3 Fe P2 -","- C24 H72 Cl12 Fe4 P8 -","4","0.5","","Feng, Xiaowen; Hwang, Seung Jun; Liu, Jun-Liang; Chen, Yan-Cong; Tong, Ming-Liang; Nocera, Daniel G.","Slow Magnetic Relaxation in Intermediate Spin S = 3/2 Mononuclear Fe(III) Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09699","","","0.41328","synchrotron","","0.0152","0.0144","","","0.0401","0.0405","","","","","","1.138","","","","has coordinates,has disorder","203085","2020-10-21","18:00:00",""
"4126718","16.7477","0.0017","8.6634","0.001","14.603","0.0016","90","","108.678","0.002","90","","2007.2","0.4","20","2","20","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FeCl3(PMe2Ph)2","","","- C16 H22 Cl3 Fe P2 -","- C16 H22 Cl3 Fe P2 -","- C64 H88 Cl12 Fe4 P8 -","4","1","","Feng, Xiaowen; Hwang, Seung Jun; Liu, Jun-Liang; Chen, Yan-Cong; Tong, Ming-Liang; Nocera, Daniel G.","Slow Magnetic Relaxation in Intermediate Spin S = 3/2 Mononuclear Fe(III) Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09699","","","0.41328","synchrotron","","0.0502","0.0444","","","0.1171","0.1227","","","","","","1.038","","","","has coordinates","203085","2020-10-21","18:00:00",""
"4126719","8.1689","0.0004","8.7421","0.0004","13.5756","0.0008","90","","99.355","0.005","90","","956.59","0.09","298","0.3","298","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 N O5 S -","- C21 H19 N O5 S -","- C42 H38 N2 O10 S2 -","2","1","","Gui, Yong-Yuan; Hu, Naifu; Chen, Xiao-Wang; Liao, Li−Li; Ju, Tao; Ye, Jian-Heng; Zhang, Zhen; Li, Jing; Yu, Da-Gang","Highly Regio- and Enantioselective Copper-Catalyzed Reductive Hydroxymethylation of Styrenes and 1,3-Dienes with CO2","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10149","","x-ray","1.54184","CuKα","","0.0509","0.049","","","0.1345","0.1389","","","","","","1.066","","","","has coordinates","203086","2020-10-21","18:00:00",""
"4126720","3.6803","0.0001","3.6803","0.0001","26.1276","0.0016","90","","90","","120","","306.48","0.02","100","2","100","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- In K S6 Sn2 -","- In0.9996 K1.0002 S6 Sn2.0001 -","- In0.9996 K1.0002 S6 Sn2.0001 -","1","0.0277778","","Xiao, Chengliang; Hassanzadeh Fard, Zohreh; Sarma, Debajit; Song, Tze-Bin; Xu, Chao; Kanatzidis, Mercouri G.","Highly Efficient Separation of Trivalent Minor Actinides by a Layered Metal Sulfide (KInSn2S6) from Acidic Radioactive Waste.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10464","","","0.71073","MoKα","","0.0308","0.0308","","","0.109","0.109","","","","","","1.091","","","","has coordinates,has disorder","203087","2020-10-21","18:00:00",""
"4126721","19.097","0.003","32.141","0.004","35.122","0.005","90","","90","","90","","21558","5","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C40 H30 O16 Zr3 -","- C40 H30 O16 Zr3 -","- C320 H240 O128 Zr24 -","8","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.099","0.0858","","","0.2413","0.2534","","","","","","0.996","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126722","18.018","0.003","33.1022","0.0012","35.0246","0.0011","90","","90","","90","","20890","4","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C40 H28 O18 Zr3 -","- C40 H28 O18 Zr3 -","- C320 H224 O144 Zr24 -","8","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.1035","0.0642","","","0.2018","0.2306","","","","","","0.955","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126723","18.7781","0.001","35.2745","0.0008","16.0212","0.0003","90","","90","","90","","10612.3","0.6","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C40 H30 O18 Zr3 -","- C40 H30 O18 Zr3 -","- C160 H120 O72 Zr12 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.059","0.0485","","","0.1479","0.157","","","","","","1.078","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126724","35.1569","0.0004","20.1235","0.0006","15.6584","0.0002","90","","90","","90","","11078","0.4","100","2","100","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C80 H64 N4 O32 Zr6 -","- C80 H64 N4 O32 Zr6 -","- C160 H128 N8 O64 Zr12 -","2","0.125","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.0608","0.054","","","0.1686","0.1767","","","","","","1.17","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126725","35.2146","0.0009","19.7752","0.0016","15.7268","0.0006","90","","90","","90","","10951.8","1","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C42 H34 O18 Zr3 -","- C42 H34 O18 Zr3 -","- C168 H136 O72 Zr12 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.0616","0.0498","","","0.1549","0.1642","","","","","","1.077","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126726","40.962","0.017","40.962","","15.438","0.006","90","","90","","120","","22433","13","296","2","296","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C40 H30 O18 Zr3 -","- C40 H30 O18 Zr3 -","- C240 H180 O108 Zr18 -","6","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.0642","0.0475","","","0.1249","0.1289","","","","","","0.927","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126727","41.0545","0.0009","41.0545","0.0009","14.6865","0.0003","90","","90","","120","","21437.3","0.8","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C40 H32 N2 O16 Zr3 -","- C40 H32 N2 O16 Zr3 -","- C240 H192 N12 O96 Zr18 -","6","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.0772","0.0523","","","0.1541","0.1789","","","","","","1.031","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126728","40.2157","0.0014","40.2157","0.0014","15.4827","0.0006","90","","90","","120","","21685.5","1.4","100","2","100","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C50 H46 O18 Zr3 -","- C40 H28 O18 Zr3 -","- C240 H168 O108 Zr18 -","6","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.093","0.0762","","","0.1885","0.1934","","","","","","0.906","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126729","16.6619","0.0014","32.7171","0.0009","35.7812","0.0008","90","","90","","90","","19505.4","1.8","100","2","100","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C40 H30 N O16 Zr3 -","- C40 H30 N O16 Zr3 -","- C320 H240 N8 O128 Zr24 -","8","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.0548","0.0438","","","0.1159","0.1206","","","","","","0.902","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126730","40.313","0.015","40.313","","16.344","0.007","90","","90","","120","","23003","13","297","2","297","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C42 H28 O16 Zr3 -","- C42 H28 O16 Zr3 -","- C252 H168 O96 Zr18 -","6","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.1036","0.0738","","","0.1727","0.1822","","","","","","0.73","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126731","40.4113","0.0011","40.4113","0.0011","15.6898","0.0006","90","","90","","120","","22189.8","1.2","297","2","297","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C44.67 H44 O16.67 Zr3 -","- C41.3332 H25.3332 O16.671 Zr3 -","- C247.999 H151.999 O100.026 Zr18 -","6","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.0594","0.0416","","","0.0863","0.0878","","","","","","0.782","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126732","8.9278","0.0002","8.9278","0.0002","16.4399","0.0005","90","","90","","120","","1134.8","0.05","296","2","296","2","","","","","","","","3","P 32","P 32","145","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C60 H54 O6 -","3","1","","Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi","Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10365","","","1.54178","CuKα","","0.0283","0.0281","","","0.072","0.0722","","","","","","1.025","","","","has coordinates","203181","2020-10-21","18:00:00",""
"4126733","22.18","0.004","7.7699","0.0014","7.2658","0.0012","90","","102.199","0.008","90","","1223.9","0.4","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","","Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi","Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10365","","","1.54178","CuKα","","0.03","0.0297","","","0.0827","0.083","","","","","","1.037","","","","has coordinates","203182","2020-10-21","18:00:00",""
"4126734","19.558","0.004","7.9565","0.0016","17.993","0.003","90","","95.842","0.005","90","","2785.4","0.9","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H30 Fe N O P -","- C29 H30 Fe N O P -","- C116 H120 Fe4 N4 O4 P4 -","4","1","","Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi","Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10365","","","0.71073","MoKα","","0.0504","0.0405","","","0.0961","0.1005","","","","","","1.011","","","","has coordinates","203183","2020-10-21","18:00:00",""
"4126735","13.925","0.01","10.932","0.009","12.059","0.009","90","","106.14","0.02","90","","1763","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br O2 -","- C20 H19 Br O2 -","- C80 H76 Br4 O8 -","4","1","","Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi","Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10365","","","0.71073","MoKα","","0.1794","0.1175","","","0.2801","0.3242","","","","","","1.119","","","","has coordinates","203184","2020-10-21","18:00:00",""
"4126736","13.2672","0.0013","5.7843","0.0006","21.786","0.003","90","","91.337","0.004","90","","1671.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br O2 -","- C20 H19 Br O2 -","- C80 H76 Br4 O8 -","4","1","","Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi","Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10365","","","0.71073","MoKα","","0.0467","0.0346","","","0.0788","0.0842","","","","","","1.063","","","","has coordinates","203185","2020-10-21","18:00:00",""
"4126737","6.9131","0.0002","11.8205","0.0004","16.9278","0.0006","90","","90","","90","","1383.28","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi","Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10365","","","1.54178","CuKα","","0.0297","0.029","","","0.0761","0.0767","","","","","","1.028","","","","has coordinates","203186","2020-10-21","18:00:00",""
"4126738","9.1529","0.0003","11.1691","0.0004","12.8208","0.0005","90","","90","","90","","1310.67","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C64 H72 O12 -","4","1","","Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi","Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10365","","","1.54178","CuKα","","0.0297","0.0293","","","0.0792","0.0796","","","","","","1.096","","","","has coordinates","203187","2020-10-21","18:00:00",""
"4126739","7.1098","0.0007","11.329","0.0012","7.2326","0.0007","90","","95.131","0.005","90","","580.23","0.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C30 H26 N2 O4 -","2","1","","Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi","Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10365","","","1.54178","CuKα","","0.0315","0.0315","","","0.084","0.0841","","","","","","1.083","","","","has coordinates","203188","2020-10-21","18:00:00",""
"4126740","35.0105","0.0005","14.9044","0.0002","31.0306","0.0005","90","","102.03","0.002","90","","15836.5","0.4","100","2","100","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C87 H72 I12 N24 Zn6 -","- C87 H72 I12 N24 Zn6 -","- C348 H288 I48 N96 Zn24 -","4","1","","Kersten, Roland D.; Lee, Shoukou; Fujita, Daishi; Pluskal, Tomáš; Kram, Susan; Smith, Jennifer E.; Iwai, Takahiro; Noel, Joseph P.; Fujita, Makoto; Weng, Jing-Ke","A Red Algal Bourbonane Sesquiterpene Synthase Defined by Microgram-scale NMR-coupled Crystalline Sponge XRD Analysis.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09452","","x-ray","1.54184","CuKα","","0.0628","0.0602","","","0.1717","0.1749","","","","","","1.081","","","","has coordinates,has disorder","203189","2020-10-21","18:00:00",""
"4126741","3.4659","","3.4659","","8.3694","","90","","90","","120","","87.068","","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- Fe2 O4.846 Yb -","- Fe2 O4.846 Yb -","- Fe2 O4.846 Yb -","1","0.5","","Nicoud, Sarah; Huvé, Marielle; Hernandez, Olivier; Pautrat, Alain; Duttine, Mathieu; Wattiaux, Alain; Colin, Claire; Kabbour, Houria; Mentré, Olivier","Comprehensive Study of Oxygen Storage in YbFe2O4+x (x ≤ 0.5): Unprecedented Coexistence of FeOn Polyhedra in One Single Phase.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06409","powder diffraction","neutron","1.28","","","0.039","0.0387","","0.0559","0.0558","","","","10.53","","","","","","","has coordinates","203354","2020-10-21","18:00:00",""
"4126742","18.606","0.007","18.804","0.008","19.121","0.007","90","","90.89","0.03","90","","6689","5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C65.69 H32.07 B F36 Ir N5 O0.84 -","- C65.69 H32.07 B F36 Ir N5 O0.845 -","- C262.76 H128.28 B4 F144 Ir4 N20 O3.38 -","4","2","","Skubi, Kazimer L.; Kidd, Jesse B.; Jung, Hoimin; Guzei, Ilia A.; Baik, Mu-Hyun; Yoon, Tehshik P.","Enantioselective Excited-State Photoreactions Controlled by a Chiral Hydrogen-Bonding Iridium Sensitizer.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10586","","","0.71073","MoKα","","0.0474","0.0429","","","0.1089","0.1121","","","","","","1.01","","","","has coordinates,has disorder","203355","2020-10-21","18:00:00",""
"4126743","25.629","0.009","18.192","0.007","14.314","0.004","90","","90","","90","","6674","4","100","2","100.01","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C65 H31 B Cl2 F34 Ir N5 O1.34 -","- C65 H31 B Cl2 F34 Ir N5 O1.333 -","- C260 H124 B4 Cl8 F136 Ir4 N20 O5.332 -","4","1","","Skubi, Kazimer L.; Kidd, Jesse B.; Jung, Hoimin; Guzei, Ilia A.; Baik, Mu-Hyun; Yoon, Tehshik P.","Enantioselective Excited-State Photoreactions Controlled by a Chiral Hydrogen-Bonding Iridium Sensitizer.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10586","","x-ray","0.71073","MoKα","","0.0427","0.0321","","","0.074","0.0763","","","","","","1.033","","","","has coordinates,has disorder","203356","2020-10-21","18:00:00",""
"4126744","19.385","0.008","17.706","0.006","17.68","0.006","90","","95.525","0.01","90","","6040","4","100","2","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32.41 H16.41 Cl1.22 F10 Ir N5 -","- C32 H16 F10 Ir N5 -","- C256 H128 F80 Ir8 N40 -","8","1","","Skubi, Kazimer L.; Kidd, Jesse B.; Jung, Hoimin; Guzei, Ilia A.; Baik, Mu-Hyun; Yoon, Tehshik P.","Enantioselective Excited-State Photoreactions Controlled by a Chiral Hydrogen-Bonding Iridium Sensitizer.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10586","","","0.71073","MoKα","","0.0437","0.028","","","0.0597","0.0628","","","","","","1.02","","","","has coordinates,has disorder","203357","2020-10-21","18:00:00",""
"4126745","29.5994","0.0012","34.117","0.0011","25.9158","0.0009","90","","124.556","0.002","90","","21553.6","1.4","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C114.29 H111.62 N4.5 Ni O0.5 -","- C457.164 H446.493 N18 Ni4 O2 -","- C914.329 H892.986 N36 Ni8 O4 -","2","0.25","","Agnew, Douglas W.; DiMucci, Ida M.; Arroyave, Alejandra; Gembicky, Milan; Moore, Curtis E.; MacMillan, Samantha N.; Rheingold, Arnold L.; Lancaster, Kyle M.; Figueroa, Joshua S.","Crystalline Coordination Networks of Zero-Valent Metal Centers: Formation of a 3-Dimensional Ni(0) Framework with m-Terphenyl Diisocyanides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09569","","x-ray","1.54178","CuKα","K-L~3~","0.1928","0.0982","","","0.2507","0.3121","","","","","","0.987","","","","has coordinates,has disorder","203358","2020-10-21","18:00:00",""
"4126746","16.5352","0.0006","21.4824","0.0009","24.9074","0.0011","90","","94.939","0.002","90","","8814.7","0.6","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H108 F3 N4 Ni O3 S -","- C108 H108 F3 N4 Ni O3 S -","- C432 H432 F12 N16 Ni4 O12 S4 -","4","1","","Agnew, Douglas W.; DiMucci, Ida M.; Arroyave, Alejandra; Gembicky, Milan; Moore, Curtis E.; MacMillan, Samantha N.; Rheingold, Arnold L.; Lancaster, Kyle M.; Figueroa, Joshua S.","Crystalline Coordination Networks of Zero-Valent Metal Centers: Formation of a 3-Dimensional Ni(0) Framework with m-Terphenyl Diisocyanides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09569","","","0.71073","MoKα","","0.1421","0.0676","","","0.155","0.1926","","","","","","1.022","","","","has coordinates","203358","2020-10-21","18:00:00",""
"4126747","9.8364","0.0006","14.9329","0.0013","16.8019","0.0009","66.631","0.007","89.585","0.004","89.082","0.006","2265.2","0.3","120.2","0.8","120.2","0.8","","","","","","","","6","P -1","-P 1","2","","Dabconium manganese hypophosphite","","- C2 H8.67 Mn0.67 N0.67 O4 P2 -","- C2 H8.66667 Mn0.666667 N0.666667 O4 P2 -","- C24 H104 Mn8 N8 O48 P24 -","12","6","","Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K.","[Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09417","","x-ray","0.71073","MoKα","","0.1255","0.1149","","","0.2718","0.2775","","","","","","1.157","","","","has coordinates","203359","2020-10-21","18:00:00",""
"4126748","7.4021","0.0005","10.2234","0.0005","13.4765","0.0008","90","","103.573","0.006","90","","991.35","0.1","115","3","115","3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Formamidinium manganese hypophosphite","","- C H12 Mn N2 O6 P3 -","- C H11 Mn N2 O6 P3 -","- C4 H44 Mn4 N8 O24 P12 -","4","1","","Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K.","[Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09417","","x-ray","0.71073","MoKα","","0.0469","0.0368","","","0.0851","0.092","","","","","","1.055","","","","has coordinates","203360","2020-10-21","18:00:00",""
"4126749","13.4506","0.0007","10.2196","0.0004","7.5274","0.0004","90","","103.604","0.005","90","","1005.69","0.09","298.3","0.8","298.3","0.8","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Formamidinium manganese hypophosphite","","- C1.5 H4 Mn0.5 N0.5 O3 P1.5 -","- C0.5 H6 Mn0.5 N O3 P1.5 -","- C4 H48 Mn4 N8 O24 P12 -","8","1","","Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K.","[Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09417","","x-ray","0.71073","MoKα","","0.0373","0.0332","","","0.0834","0.0857","","","","","","1.104","","","","has coordinates","203361","2020-10-21","18:00:00",""
"4126750","9.8034","0.0003","8.5924","0.0002","13.312","0.0004","90","","98.554","0.002","90","","1108.86","0.05","298.8","0.4","298.8","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Triazolium managnese hypophosphite","","- C2 H8 Mn N3 O6 P3 -","- C2 H10 Mn N3 O6 P3 -","- C8 H40 Mn4 N12 O24 P12 -","4","1","","Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K.","[Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09417","","x-ray","0.71073","MoKα","","0.037","0.0305","","","0.069","0.0731","","","","","","1.072","","","","has coordinates","203362","2020-10-21","18:00:00",""
"4126751","9.0994","0.0007","9.2419","0.0006","15.8369","0.0012","105.294","0.006","90.971","0.006","118.618","0.008","1111.44","0.18","302","1","302","1","","","","","","","","6","P -1","-P 1","2","","Guanidinium manganese hypophosphite","","- C2 H24 Mn2 N6 O12 P6 -","- C2 H24 Mn2 N6 O12 P6 -","- C4 H48 Mn4 N12 O24 P12 -","2","1","","Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K.","[Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09417","","x-ray","0.71073","MoKα","","0.0544","0.0468","","","0.1161","0.125","","","","","","1.078","","","","has coordinates","203363","2020-10-21","18:00:00",""
"4126752","9.886","0.0005","9.886","0.0005","41.171","0.002","90","","90","","120","","3484.7","0.3","300","0.4","300","0.4","","","","","","","","6","R -3","-R 3","148","","[C6N2H14]Mn[H2PO2]3","","- C2 H8.67 Mn0.67 N0.67 O4 P2 -","- C2 H8.66667 Mn0.666667 N0.666667 O4 P2 -","- C36 H156 Mn12 N12 O72 P36 -","18","","","Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K.","[Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09417","","x-ray","0.71073","MoKα","","0.0734","0.0584","","","0.1248","0.1329","","","","","","1.1","","","","has coordinates","203364","2020-10-21","18:00:00",""
"4126753","8.7596","0.0003","13.2087","0.0004","9.6956","0.0003","90","","89.764","0.003","90","","1121.8","0.06","298.3","1","298.3","1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","Guanidinium manganese hypophosphite","","- C0.5 H6 Mn0.5 N1.5 O3 P1.5 -","- C0.5 H6 Mn0.5 N1.5 O3 P1.5 -","- C4 H48 Mn4 N12 O24 P12 -","8","1","","Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K.","[Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09417","","x-ray","0.71073","MoKα","","0.0352","0.0303","","","0.0757","0.079","","","","","","1.061","","","","has coordinates","203365","2020-10-21","18:00:00",""
"4126754","9.652","0.0002","12.7066","0.0002","18.4643","0.0003","90","","91.5497","0.0017","90","","2263.71","0.07","300","0.14","300","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Imidazolium manganese hypophosphite","","- C6 H22 Mn2 N4 O12 P6 -","- C6 H22 Mn2 N4 O12 P6 -","- C24 H88 Mn8 N16 O48 P24 -","4","1","","Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K.","[Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09417","","x-ray","0.71073","MoKα","","0.0518","0.0365","","","0.0801","0.0879","","","","","","1.059","","","","has coordinates","203366","2020-10-21","18:00:00",""
"4126755","14.24","0.003","6.3956","0.0012","26.696","0.006","90","","101.203","0.007","90","","2385","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 F2 S4 -","- C28 H20 F2 S4 -","- C112 H80 F8 S16 -","4","1","","Wang, Ming; Ford, Michael J.; Zhou, Cheng; Seifrid, Martin; Nguyen, Thuc-Quyen; Bazan, Guillermo C.","Linear Conjugated Polymer Backbones Improve Alignment in Nanogroove-Assisted Organic Field-Effect Transistors.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10332","","","0.71073","MoKα","","0.1938","0.079","","","0.1594","0.2061","","","","","","0.984","","","","has coordinates","203423","2020-10-21","18:00:00",""
"4126756","6.5974","0.0009","26.408","0.004","6.9247","0.001","90","","103.895","0.008","90","","1171.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 F2 S4 -","- C28 H20 F2 S4 -","- C56 H40 F4 S8 -","2","0.5","","Wang, Ming; Ford, Michael J.; Zhou, Cheng; Seifrid, Martin; Nguyen, Thuc-Quyen; Bazan, Guillermo C.","Linear Conjugated Polymer Backbones Improve Alignment in Nanogroove-Assisted Organic Field-Effect Transistors.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10332","","","0.71073","MoKα","","0.0747","0.0606","","","0.1842","0.1973","","","","","","1.062","","","","has coordinates","203424","2020-10-21","18:00:00",""
"4126757","6.3997","0.0003","13.7476","0.0006","26.6892","0.0011","90","","90","","90","","2348.13","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 F2 S4 -","- C28 H20 F2 S4 -","- C112 H80 F8 S16 -","4","1","","Wang, Ming; Ford, Michael J.; Zhou, Cheng; Seifrid, Martin; Nguyen, Thuc-Quyen; Bazan, Guillermo C.","Linear Conjugated Polymer Backbones Improve Alignment in Nanogroove-Assisted Organic Field-Effect Transistors.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10332","","","0.71073","MoKα","","0.0345","0.0316","","","0.0789","0.0805","","","","","","1.045","","","","has coordinates","203425","2020-10-21","18:00:00",""
"4126758","10.0969","0.0009","12.167","0.001","15.4244","0.0013","90","","105.488","0.003","90","","1826.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound16","Compound16","","- C19 H28 N2 Ni O -","- C19 H28 N2 Ni O -","- C76 H112 N8 Ni4 O4 -","4","1","","Saper, Noam I.; Hartwig, John F.","Mechanistic Investigations of the Hydrogenolysis of Diaryl Ethers Catalyzed by Nickel Complexes of N-Heterocyclic Carbene Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10537","","","0.71073","MoKα","","0.0363","0.0297","","","0.0699","0.0736","","","","","","1.097","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4126759","21.429","0.004","16.96","0.003","9.3624","0.0014","90","","90","","90","","3402.6","1","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Compound15","Compound15","","- C39 H48 N2 Ni O -","- C39 H48 N2 Ni O -","- C156 H192 N8 Ni4 O4 -","4","0.5","","Saper, Noam I.; Hartwig, John F.","Mechanistic Investigations of the Hydrogenolysis of Diaryl Ethers Catalyzed by Nickel Complexes of N-Heterocyclic Carbene Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10537","","","0.71073","MoKα","","0.1875","0.0801","","","0.1825","0.2491","","","","","","1.03","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4126760","22.8854","0.0018","10.4415","0.0009","25.777","0.002","90","","108.919","0.004","90","","5826.9","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound24","Compound24","","- C66 H86 N4 Ni2 O2 -","- C66 H86 N4 Ni2 O2 -","- C264 H344 N16 Ni8 O8 -","4","0.5","","Saper, Noam I.; Hartwig, John F.","Mechanistic Investigations of the Hydrogenolysis of Diaryl Ethers Catalyzed by Nickel Complexes of N-Heterocyclic Carbene Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10537","","","0.71073","MoKα","","0.0432","0.0355","","","0.0844","0.0888","","","","","","1.073","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4126761","9.7801","0.0016","13.485","0.002","16.354","0.003","95.574","0.004","96.943","0.004","93.555","0.004","2125","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Compound22","Compound22","","- C51 H58 N2 Ni O2 -","- C51 H58 N2 Ni O2 -","- C102 H116 N4 Ni2 O4 -","2","1","","Saper, Noam I.; Hartwig, John F.","Mechanistic Investigations of the Hydrogenolysis of Diaryl Ethers Catalyzed by Nickel Complexes of N-Heterocyclic Carbene Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10537","","","0.71073","MoKα","","0.088","0.0522","","","0.1012","0.1158","","","","","","1.043","","","","has coordinates","203448","2020-10-21","18:00:00",""
"4126762","12.06","0.003","16.3","0.005","34.014","0.009","90","","94.684","0.006","90","","6664","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound18","Compound18","","- C39 H46 N2 Ni O -","- C39 H46 N2 Ni O -","- C312 H368 N16 Ni8 O8 -","8","2","","Saper, Noam I.; Hartwig, John F.","Mechanistic Investigations of the Hydrogenolysis of Diaryl Ethers Catalyzed by Nickel Complexes of N-Heterocyclic Carbene Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10537","","","0.71073","MoKα","","0.0381","0.034","","","0.0884","0.0919","","","","","","1.047","","","","has coordinates","203449","2020-10-21","18:00:00",""
"4126763","10.9844","0.001","16.4651","0.0016","25.451","0.003","90","","90","","90","","4603","0.8","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H49 Co O0.5 P2 -","- C54 H49 Co O0.5 P2 -","- C216 H196 Co4 O2 P8 -","4","1","","Jing, Stanley M.; Balasanthiran, Vagulejan; Pagar, Vinayak; Gallucci, Judith C.; RajanBabu, T. V.","Catalytic Enantioselective Hetero-dimerization of Acrylates and 1,3-Dienes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10055","","x-ray","0.71073","MoKα","","0.0639","0.0488","","","0.1361","0.147","","","","","","1.032","","","","has coordinates,has disorder","203511","2020-10-21","18:00:00",""
"4126764","19.1093","0.0005","21.7148","0.0006","23.9709","0.0006","90","","90","","90","","9946.8","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C93 H102 Br2 Co2 O3 P6 -","- C93 H102 Br2 Co2 O3 P6 -","- C372 H408 Br8 Co8 O12 P24 -","4","1","","Jing, Stanley M.; Balasanthiran, Vagulejan; Pagar, Vinayak; Gallucci, Judith C.; RajanBabu, T. V.","Catalytic Enantioselective Hetero-dimerization of Acrylates and 1,3-Dienes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10055","","x-ray","0.71073","MoKα","","0.0615","0.0391","","","0.0828","0.0897","","","","","","1.005","","","","has coordinates","203512","2020-10-21","18:00:00",""
"4126765","9.5599","0.0009","15.7417","0.0015","17.1","0.0015","90","","93.948","0.004","90","","2567.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 Br2 Co P2 -","- C27 H26 Br2 Co P2 -","- C108 H104 Br8 Co4 P8 -","4","1","","Jing, Stanley M.; Balasanthiran, Vagulejan; Pagar, Vinayak; Gallucci, Judith C.; RajanBabu, T. V.","Catalytic Enantioselective Hetero-dimerization of Acrylates and 1,3-Dienes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10055","","x-ray","0.71073","MoKα","","0.0317","0.0238","","","0.0564","0.0597","","","","","","1.06","","","","has coordinates","203513","2020-10-21","18:00:00",""
"4126766","7.1443","0.0003","12.9075","0.0005","14.265","0.0006","90","","90","","90","","1315.45","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","MLC-VI-120","maimone98","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","1","","Condakes, Matthew L.; Hung, Kevin; Harwood, Stephen; Maimone, Thomas J.","Total Syntheses of (-)-Majucin and (-)-Jiadifenoxolane A, Complex Majucin-Type Illicium Sesquiterpenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11493","","","1.54178","CuKα","","0.03","0.0295","","","0.0762","0.0767","","","","","","1.064","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4126767","6.9941","0.0003","12.1369","0.0006","16.1722","0.0008","90","","90","","90","","1372.8","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","KH_LIT2_majucin","","","- C15 H20 O8 -","- C15 H20 O8 -","- C60 H80 O32 -","4","1","","Condakes, Matthew L.; Hung, Kevin; Harwood, Stephen; Maimone, Thomas J.","Total Syntheses of (-)-Majucin and (-)-Jiadifenoxolane A, Complex Majucin-Type Illicium Sesquiterpenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11493","","","0.71073","MoKα","","0.031","0.03","","","0.0755","0.0761","","","","","","1.053","","","","has coordinates","203593","2020-10-21","18:00:00",""
"4126768","8.8553","0.0009","8.9979","0.0009","17.3614","0.0018","90","","90","","90","","1383.3","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","mc002","","","- C15 H20 O6 -","- C15 H20 O6 -","- C60 H80 O24 -","4","1","","Condakes, Matthew L.; Hung, Kevin; Harwood, Stephen; Maimone, Thomas J.","Total Syntheses of (-)-Majucin and (-)-Jiadifenoxolane A, Complex Majucin-Type Illicium Sesquiterpenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11493","","","0.71073","MoKα","","0.0319","0.0306","","","0.0812","0.0822","","","","","","1.046","","","","has coordinates","203594","2020-10-21","18:00:00",""
"4126769","9.1952","0.0003","7.0323","0.0002","11.6867","0.0004","90","","110.96","0.002","90","","705.7","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","MC001","","","- C15 H20 O6 -","- C15 H20 O6 -","- C30 H40 O12 -","2","1","","Condakes, Matthew L.; Hung, Kevin; Harwood, Stephen; Maimone, Thomas J.","Total Syntheses of (-)-Majucin and (-)-Jiadifenoxolane A, Complex Majucin-Type Illicium Sesquiterpenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11493","","","0.71073","MoKα","","0.0355","0.0335","","","0.0889","0.0899","","","","","","1.06","","","","has coordinates","203595","2020-10-21","18:00:00",""
"4126770","11.188","0.007","12.335","0.007","20.076","0.012","90","","104.319","0.011","90","","2684","3","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H16 Co O4 S4 -","- C30 H16 Co O4 S4 -","- C120 H64 Co4 O16 S16 -","4","1","","Sen, Susan; Hosono, Nobuhiko; Zheng, Jia-Jia; Kusaka, Shinpei; Matsuda, Ryotaro; Sakaki, Shigeyoshi; Kitagawa, Susumu","Cooperative Bond Scission in a Soft Porous Crystal Enables Discriminatory Gate-Opening for Ethylene over Ethane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10110","","","0.7008","synchrotron","","0.3085","0.1563","","","0.3277","0.3815","","","","","","1.146","","","","has coordinates","203641","2020-10-21","18:00:00",""
"4126771","11.8423","0.0006","12.3007","0.0005","25.9703","0.0012","90","","91.921","0.004","90","","3780.9","0.3","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 Co O5 S4 -","- C30 H16 Co O5 S4 -","- C120 H64 Co4 O20 S16 -","4","1","","Sen, Susan; Hosono, Nobuhiko; Zheng, Jia-Jia; Kusaka, Shinpei; Matsuda, Ryotaro; Sakaki, Shigeyoshi; Kitagawa, Susumu","Cooperative Bond Scission in a Soft Porous Crystal Enables Discriminatory Gate-Opening for Ethylene over Ethane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10110","","","0.71075","MoKα","","0.1664","0.0929","","","0.2194","0.2472","","","","","","1.088","","","","has coordinates","203642","2020-10-21","18:00:00",""
"4126772","11.33","0.0007","12.5583","0.0006","22.9058","0.0017","90","","91.57","0.007","90","","3257.9","0.4","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 Co O9 S4 -","- C30 H16 Co O9 S4 -","- C120 H64 Co4 O36 S16 -","4","1","","Sen, Susan; Hosono, Nobuhiko; Zheng, Jia-Jia; Kusaka, Shinpei; Matsuda, Ryotaro; Sakaki, Shigeyoshi; Kitagawa, Susumu","Cooperative Bond Scission in a Soft Porous Crystal Enables Discriminatory Gate-Opening for Ethylene over Ethane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10110","","","0.71075","MoKα","","0.1616","0.1292","","","0.3357","0.3581","","","","","","1.394","","","","has coordinates","203643","2020-10-21","18:00:00",""
"4126773","11.2611","0.0011","12.2636","0.0011","21.838","0.003","90","","99.105","0.011","90","","2977.9","0.6","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H32 Co2 O8 S8 -","- C60 H32 Co2 O8 S8 -","- C120 H64 Co4 O16 S16 -","2","1","","Sen, Susan; Hosono, Nobuhiko; Zheng, Jia-Jia; Kusaka, Shinpei; Matsuda, Ryotaro; Sakaki, Shigeyoshi; Kitagawa, Susumu","Cooperative Bond Scission in a Soft Porous Crystal Enables Discriminatory Gate-Opening for Ethylene over Ethane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10110","","","0.71075","MoKα","","0.1822","0.1264","","","0.2998","0.3339","","","","","","1.122","","","","has coordinates","203644","2020-10-21","18:00:00",""
"4126774","11.3664","","12.4934","","22.908","","90","","91.886","","90","","3251.29","","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 Co O4 S4 -","- C30 H16 Co O4 S4 -","- C120 H64 Co4 O16 S16 -","4","1","","Sen, Susan; Hosono, Nobuhiko; Zheng, Jia-Jia; Kusaka, Shinpei; Matsuda, Ryotaro; Sakaki, Shigeyoshi; Kitagawa, Susumu","Cooperative Bond Scission in a Soft Porous Crystal Enables Discriminatory Gate-Opening for Ethylene over Ethane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10110","","","0.71075","MoKα","","0.2946","0.1768","","","0.3994","0.4342","","","","","","1.636","","","","has coordinates","203645","2020-10-21","18:00:00",""
"4126775","18.234","0.0013","12.0654","0.0002","18.1135","0.0013","90","","90.69","0.006","90","","3984.7","0.4","85","2","85","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C49 H48 B N5 P Ru -","- C49 H48 B N5 P Ru -","- C196 H192 B4 N20 P4 Ru4 -","4","1","","Tseng, Kuei-Nin T; Kampf, Jeff W.; Szymczak, Nathaniel K.","Correction to ""Modular Attachment of Appended Boron Lewis Acids to a Ruthenium Pincer Catalyst: Metal-Ligand Cooperativity Enables Selective Alkyne Hydrogenation"".","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09662","","","1.54178","CuKα","","0.0376","0.0375","","","0.0979","0.098","","","","","","1.05","","","","has coordinates","203727","2020-10-21","18:00:00",""
"4126776","11.3931","0.0002","11.4712","0.0002","11.9193","0.0002","90","","90","","90","","1557.76","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O3 -","- C19 H23 N O3 -","- C76 H92 N4 O12 -","4","1","","Shi, Heyao; Michaelides, Iacovos N.; Darses, Benjamin; Jakubec, Pavol; Nguyen, Quynh Nhu N.; Paton, Robert S.; Dixon, Darren J.","Total Synthesis of (-)-Himalensine A.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10956","","","1.54184","CuKα","","0.0382","0.0377","","0.1011","0.1002","0.1011","","","","","","0.9677","","","","has coordinates","203728","2020-10-21","18:00:00",""
"4126777","31.6613","0.0003","8.174","0.0001","22.2379","0.0002","90","","107.475","0.0005","90","","5489.54","0.1","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C256 H304 N16 O48 -","16","2","","Shi, Heyao; Michaelides, Iacovos N.; Darses, Benjamin; Jakubec, Pavol; Nguyen, Quynh Nhu N.; Paton, Robert S.; Dixon, Darren J.","Total Synthesis of (-)-Himalensine A.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10956","","","0.71073","MoKα","","0.0543","0.0391","","0.0997","0.0904","0.0996","","","","","","1.0146","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4126778","30.6579","0.0004","8.2851","0.0001","21.8388","0.0003","90","","104.907","0.0005","90","","5360.44","0.12","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C256 H304 N16 O32 -","16","2","","Shi, Heyao; Michaelides, Iacovos N.; Darses, Benjamin; Jakubec, Pavol; Nguyen, Quynh Nhu N.; Paton, Robert S.; Dixon, Darren J.","Total Synthesis of (-)-Himalensine A.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10956","","","0.71073","MoKα","","0.054","0.0408","","0.1038","0.0952","0.1038","","","","","","1.0093","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4126779","9.965","","10.523","","19.478","","90","","104.19","","90","","1980.18","","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H28 N2 O6 -","- C17 H28 N2 O6 -","- C68 H112 N8 O24 -","4","1","","Kanazawa, Junichiro; Maeda, Katsuya; Uchiyama, Masanobu","Radical Multicomponent Carboamination of [1.1.1]Propellane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11865","","","0.72932","","","0.0698","0.0675","","","0.1758","0.1812","","","","","","1.05","","","","has coordinates","203793","2020-10-21","18:00:00",""
"4126780","10.3286","0.0004","13.2067","0.0005","13.9824","0.0006","95.3184","0.0006","90.4903","0.0006","92.7271","0.0005","1896.77","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","potassium thorium pentanitrate hydrate","","","- H15 K N5 O22.5 Th -","- H14 K N5 O22.5 Th -","- H56 K4 N20 O90 Th4 -","4","2","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.0278","0.0212","","","0.0424","0.0453","","","","","","1.028","","","","has coordinates","203794","2020-10-21","18:00:00",""
"4126781","10.0771","0.0006","12.7431","0.0007","10.5002","0.0006","90","","99.9128","0.0007","90","","1328.24","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","potassium thorium pentanitrate hydrate","","","- H4 K N5 O17 Th -","- H4 K N5 O17 Th -","- H16 K4 N20 O68 Th4 -","4","1","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.011","0.0105","","","0.0246","0.0248","","","","","","1.152","","","","has coordinates","203794","2020-10-21","18:00:00",""
"4126782","8.3768","0.0003","6.6983","0.0002","12.5535","0.0004","90","","92.041","0.0004","90","","703.93","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","potassium thorium hexanitrate","","","- K2 N6 O18 Th -","- K2 N6 O18 Th -","- K4 N12 O36 Th2 -","2","0.5","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.0118","0.0099","","","0.0222","0.0231","","","","","","1.086","","","","has coordinates","203794","2020-10-21","18:00:00",""
"4126783","15.6745","0.0004","15.6745","0.0004","19.1893","0.0004","90","","90","","120","","4082.98","0.17","101","2","101","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","potassium thorium hexanitrate hydrate","","","- H9 K3 N10 O33 Th -","- H9 K3 N10 O33 Th -","- H54 K18 N60 O198 Th6 -","6","0.333333","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.0093","0.0092","","","0.0247","0.0248","","","","","","1.039","","","","has coordinates","203794","2020-10-21","18:00:00",""
"4126784","9.8396","0.0008","9.8396","0.0008","14.3443","0.0012","90","","90","","120","","1202.72","0.17","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","tetramethylammonium thorium hexanitrate","","","- C8 H24 N8 O18 Th -","- C8 H23.9994 N8 O18 Th -","- C16 H47.9988 N16 O36 Th2 -","2","0.166667","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.0263","0.0157","","","0.0323","0.036","","","","","","1.107","","","","has coordinates","203795","2020-10-21","18:00:00",""
"4126785","18.4488","0.0016","11.6708","0.0016","15.7009","0.0016","90","","107.771","0.0018","90","","3219.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tetraethylammonium thorium hexanitrate","","","- C16 H40 N8 O18 Th -","- C16 N8 O18 Th -","- C64 N32 O72 Th4 -","4","0.5","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.0487","0.0246","","","0.0681","0.0758","","","","","","1.015","","","","has coordinates","203795","2020-10-21","18:00:00",""
"4126786","10.466","0.0005","19.18","0.0009","11.7254","0.0006","90","","93.3857","0.0007","90","","2349.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tetrabutylammonium thorium hexanitrate","","","- C32 H72 N8 O18 Th -","- C32 H72 N8 O18 Th -","- C64 H144 N16 O36 Th2 -","2","0.5","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.0249","0.0155","","","0.0327","0.0355","","","","","","1.003","","","","has coordinates","203795","2020-10-21","18:00:00",""
"4126787","8.3236","0.0004","6.8887","0.0004","12.8538","0.0007","90","","92.213","0.0006","90","","736.47","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","rubidium thorium hexanitrate","","","- N6 O18 Rb2 Th -","- N6 O18 Rb2 Th -","- N12 O36 Rb4 Th2 -","2","0.5","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.0102","0.0097","","","0.0229","0.023","","","","","","1.058","","","","has coordinates","203796","2020-10-21","18:00:00",""
"4126788","8.131","0.0016","7.197","0.0014","13.396","0.003","90","","90.8","0.03","90","","783.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cesium thorium hexanitrate","","","- Cs2 N6 O18 Th -","- Cs2 N6 O18 Th -","- Cs4 N12 O36 Th2 -","2","0.5","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.0463","0.0319","","","0.0809","0.0859","","","","","","1.03","","","","has coordinates","203796","2020-10-21","18:00:00",""
"4126789","14.6636","0.0005","16.3759","0.0006","14.9374","0.0006","90","","107.749","0.0005","90","","3416.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ammonium thorium pentanitrate hydrate","","","- H14 N6 O20 Th -","- H14 N6 O20 Th -","- H112 N48 O160 Th8 -","8","2","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.0326","0.0239","","","0.0401","0.042","","","","","","1.14","","","","has coordinates","203796","2020-10-21","18:00:00",""
"4126790","8.2653","0.0005","6.8573","0.0004","12.9515","0.0008","90","","91.3982","0.0008","90","","733.84","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ammonium thorium hexanitrate","","","- H8 N8 O18 Th -","- H8 N8 O18 Th -","- H16 N16 O36 Th2 -","2","0.5","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.0149","0.0118","","","0.0267","0.0279","","","","","","1.066","","","","has coordinates","203796","2020-10-21","18:00:00",""
"4126791","11.3448","0.0009","18.975","0.0014","12.4207","0.0009","90","","117.621","0.005","90","","2369.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H58 Fe2 N2 P2 S2 -","- C56 H58 Fe2 N2 P2 S2 -","- C112 H116 Fe4 N4 P4 S4 -","2","0.5","","Zhang, Fanjun; Song, Heng; Zhuang, Xuewen; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed 1,2-Selective Hydroboration of N-Heteroarenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11416","","","0.71","MoKα","","0.1198","0.0582","","","0.1122","0.1384","","","","","","1.042","","","","has coordinates","203947","2020-10-21","18:00:00",""
"4126792","14.8368","0.0003","12.6939","0.0002","17.8201","0.0003","90","","94.864","0.0018","90","","3344.1","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19 H22 B N O2 -","- C19 H22 B N O2 -","- C152 H176 B8 N8 O16 -","8","2","","Zhang, Fanjun; Song, Heng; Zhuang, Xuewen; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed 1,2-Selective Hydroboration of N-Heteroarenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11416","","x-ray","1.54184","CuKα","","0.05","0.0446","","","0.1145","0.1192","","","","","","1.045","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4126793","20.803","0.004","9.7913","0.0011","15.7087","0.0017","90","","106.209","0.016","90","","3072.5","0.8","192.99","0.1","192.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H36 Fe N P S -","- C37 H36 Fe N P S -","- C148 H144 Fe4 N4 P4 S4 -","4","1","","Zhang, Fanjun; Song, Heng; Zhuang, Xuewen; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed 1,2-Selective Hydroboration of N-Heteroarenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11416","","x-ray","1.54184","CuKα","","0.1142","0.0571","","","0.1176","0.148","","","","","","1.047","","","","has coordinates","203947","2020-10-21","18:00:00",""
"4126794","19.063","0.006","9.464","0.003","16.113","0.005","90","","103.953","0.003","90","","2821.2","1.5","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H34 Fe N P S -","- C33 H34 Fe N P S -","- C132 H136 Fe4 N4 P4 S4 -","4","1","","Zhang, Fanjun; Song, Heng; Zhuang, Xuewen; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed 1,2-Selective Hydroboration of N-Heteroarenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11416","","","0.71","MoKα","","0.0248","0.0238","","","0.0585","0.0592","","","","","","1.047","","","","has coordinates","203947","2020-10-21","18:00:00",""
"4126795","18.5491","0.0004","9.8654","0.0003","15.8227","0.0003","90","","91.771","0.002","90","","2894.08","0.12","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 Fe N P S -","- C34 H36 Fe N P S -","- C136 H144 Fe4 N4 P4 S4 -","4","1","","Zhang, Fanjun; Song, Heng; Zhuang, Xuewen; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed 1,2-Selective Hydroboration of N-Heteroarenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11416","","x-ray","0.71","MoKα","","0.1075","0.083","","","0.1802","0.1963","","","","","","1.152","","","","has coordinates","203947","2020-10-21","18:00:00",""
"4126796","27.252","0.0006","9.6333","0.0002","16.9545","0.0004","90","","116.892","0.001","90","","3969.68","0.16","100","","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 N3 O4 -","- C23 H23 N3 O4 -","- C184 H184 N24 O32 -","8","1","","Okumura, Mikiko; Shved, Alexander S.; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Carboamination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11663","","x-ray","0.71073","MoKα","","0.0445","0.0378","","","0.095","0.1005","","","","","","1.046","","","","has coordinates","204000","2020-10-21","18:00:00",""
"4126797","9.7641","0.0003","12.0253","0.0004","13.432","0.0004","108.779","0.001","108.35","0.001","98.908","0.001","1358.44","0.08","100","2","99.99","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 N4 O4 -","- C32 H32 N4 O4 -","- C64 H64 N8 O8 -","2","1","","Okumura, Mikiko; Shved, Alexander S.; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Carboamination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11663","","x-ray","0.71073","MoKα","","0.0392","0.0326","","","0.0738","0.0777","","","","","","1.037","","","","has coordinates,has disorder","204001","2020-10-21","18:00:00",""
"4126798","12.859","0.0004","10.0892","0.0003","15.2092","0.0004","90","","102.156","0.0009","90","","1928.95","0.1","100","","100.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N3 O4 -","- C22 H21 N3 O4 -","- C88 H84 N12 O16 -","4","1","","Okumura, Mikiko; Shved, Alexander S.; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Carboamination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11663","","x-ray","1.54178","CuKα","","0.0391","0.0375","","","0.0911","0.0925","","","","","","1.073","","","","has coordinates","204002","2020-10-21","18:00:00",""
"4126799","11.9039","0.0003","6.01","0.0001","14.3731","0.0003","90","","112.428","0.0008","90","","950.5","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N3 O3 -","- C21 H25 N3 O3 -","- C42 H50 N6 O6 -","2","1","","Okumura, Mikiko; Shved, Alexander S.; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Carboamination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11663","","x-ray","1.54178","CuKα","","0.0335","0.0308","","","0.0697","0.0715","","","","","","1.095","","","","has coordinates","204003","2020-10-21","18:00:00",""
"4126800","14.6098","0.0004","9.8496","0.0003","12.5608","0.0004","90","","100.906","0.001","90","","1774.86","0.09","100","","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O3 -","- C20 H23 N3 O3 -","- C80 H92 N12 O12 -","4","1","","Okumura, Mikiko; Shved, Alexander S.; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Carboamination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11663","","x-ray","0.71073","MoKα","","0.047","0.0411","","","0.1018","0.1061","","","","","","1.024","","","","has coordinates","204005","2020-10-21","18:00:00",""
"4126801","10.6521","0.0004","12.9904","0.0005","15.8802","0.0007","109.171","0.001","91.791","0.001","101.31","0.001","2024.37","0.14","99.99","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H44 Cl2 N6 O6 -","- C45 H44 Cl2 N6 O6 -","- C90 H88 Cl4 N12 O12 -","2","1","","Okumura, Mikiko; Shved, Alexander S.; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Carboamination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11663","","x-ray","0.71073","MoKα","","0.0479","0.0398","","","0.0885","0.0932","","","","","","1.039","","","","has coordinates,has disorder","204006","2020-10-21","18:00:00",""
"4126802","23.3397","0.0005","10.484","0.0002","17.3377","0.0004","90","","110.173","0.001","90","","3982.17","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H26 Cl N3 O3 -","- C21.5 H26 Cl N3 O3 -","- C172 H208 Cl8 N24 O24 -","8","2","","Okumura, Mikiko; Shved, Alexander S.; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Carboamination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11663","","x-ray","0.71073","MoKα","","0.0671","0.0453","","","0.1063","0.1186","","","","","","1.013","","","","has coordinates,has disorder","254431","2020-10-21","18:00:00",""
"4126803","22.004","0.0009","9.7666","0.0004","17.3783","0.0007","90","","116.729","0.001","90","","3335.6","0.2","100","2","100.01","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C144 H152 N24 O32 -","8","1","","Okumura, Mikiko; Shved, Alexander S.; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Carboamination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11663","","x-ray","0.71073","MoKα","","0.049","0.0376","","","0.0844","0.0898","","","","","","1.044","","","","has coordinates","204008","2020-10-21","18:00:00",""
"4126804","14.9159","0.0006","17.9452","0.0008","16.0708","0.0007","90","","98.353","0.001","90","","4256","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H74 B N Si4 -","- C42 H74 B N Si4 -","- C168 H296 B4 N4 Si16 -","4","1","","Kosai, Tomoyuki; Iwamoto, Takeaki","A Stable Push-Pull Disilene: Substantial Donor-Acceptor Interactions through the Si=Si Double Bond.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09989","","","0.71073","MoKα","","0.0563","0.0465","","","0.1163","0.126","","","","","","1.023","","","","has coordinates,has disorder","204023","2020-10-21","18:00:00",""
"4126805","9.4276","0.0002","20.6936","0.0004","21.2036","0.0004","89.986","0.001","86.404","0.001","79.816","0.001","4063.19","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H70 Si6 -","- C34 H70 Si6 -","- C136 H280 Si24 -","4","2","","Kosai, Tomoyuki; Iwamoto, Takeaki","A Stable Push-Pull Disilene: Substantial Donor-Acceptor Interactions through the Si=Si Double Bond.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09989","","","0.71073","MoKα","","0.0543","0.0448","","","0.1175","0.124","","","","","","1.011","","","","has coordinates","204023","2020-10-21","18:00:00",""
"4126806","9.4328","0.0003","15.3231","0.0006","28.7059","0.001","90","","95.797","0.001","90","","4127.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H68 K N O Si4 -","- C38 H68 K N O Si4 -","- C152 H272 K4 N4 O4 Si16 -","4","1","","Kosai, Tomoyuki; Iwamoto, Takeaki","A Stable Push-Pull Disilene: Substantial Donor-Acceptor Interactions through the Si=Si Double Bond.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09989","","","0.71073","MoKα","","0.0572","0.0438","","","0.1086","0.121","","","","","","1.026","","","","has coordinates,has disorder","204023","2020-10-21","18:00:00",""
"4126807","15.3152","0.0007","21.6095","0.0011","23.3982","0.0011","90","","90","","90","","7743.7","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H60 Cl3 N Si4 -","- C34 H60 Cl3 N Si4 -","- C272 H480 Cl24 N8 Si32 -","8","1","","Kosai, Tomoyuki; Iwamoto, Takeaki","A Stable Push-Pull Disilene: Substantial Donor-Acceptor Interactions through the Si=Si Double Bond.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09989","","","0.71073","MoKα","","0.0912","0.0561","","","0.0964","0.1055","","","","","","1.074","","","","has coordinates","204023","2020-10-21","18:00:00",""
"4126808","20.978","0.0005","22.2093","0.0005","30.0446","0.0007","90","","105.289","0.001","90","","13502.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H38 B2 N2 O2 -","- C50 H38 B2 N2 O2 -","- C600 H456 B24 N24 O24 -","12","3","","Liu, Kanglei; Lalancette, Roger A.; Jäkle, Frieder","B-N Lewis Pair Functionalization of Anthracene: Structural Dynamics, Optoelectronic Properties, and O2 Sensitization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11062","","","1.54178","CuKα","","0.1607","0.0897","","","0.2339","0.2909","","","","","","0.992","","","","has coordinates","204038","2020-10-21","18:00:00",""
"4126809","19.246","0.004","9.4695","0.0018","11.785","0.002","90","","117.944","0.004","90","","1897.4","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","0.5","","Liu, Kanglei; Lalancette, Roger A.; Jäkle, Frieder","B-N Lewis Pair Functionalization of Anthracene: Structural Dynamics, Optoelectronic Properties, and O2 Sensitization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11062","","","1.54178","CuKα","","0.0405","0.0371","","","0.0994","0.1022","","","","","","1.093","","","","has coordinates","204039","2020-10-21","18:00:00",""
"4126810","12.6874","0.0006","8.1861","0.0004","27.1825","0.0013","90","","99.867","0.003","90","","2781.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 B2 N2 -","- C34 H38 B2 N2 -","- C136 H152 B8 N8 -","4","1","","Liu, Kanglei; Lalancette, Roger A.; Jäkle, Frieder","B-N Lewis Pair Functionalization of Anthracene: Structural Dynamics, Optoelectronic Properties, and O2 Sensitization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11062","","","1.54178","CuKα","","0.0745","0.0637","","","0.1591","0.1655","","","","","","1.076","","","","has coordinates","204040","2020-10-21","18:00:00",""
"4126811","13.0208","0.0014","13.0208","0.0014","15.297","0.003","90","","90","","120","","2246","0.6","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 K7 Lu2 O30 Sr -","- B15 K7 Lu2 O30 Sr -","- B45 K21 Lu6 O90 Sr3 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0211","0.0205","","","0.0587","0.059","","","","","","1.095","","","","has coordinates","204041","2020-10-21","18:00:00",""
"4126812","13.1142","0.0018","13.1142","0.0018","15.319","0.004","90","","90","","120","","2281.6","0.7","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 K7 O30 Sr Y2 -","- B15 K7 O30 Sr Y2 -","- B45 K21 O90 Sr3 Y6 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0323","0.0265","","","0.0575","0.0598","","","","","","0.961","","","","has coordinates","204042","2020-10-21","18:00:00",""
"4126813","13.331","0.002","13.331","0.002","14.91","0.005","90","","90","","120","","2294.7","0.9","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Bi2 K7 O30 Pb -","- B15 Bi2 K7 O30 Pb -","- B45 Bi6 K21 O90 Pb3 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0435","0.0426","","","0.1182","0.1194","","","","","","1.134","","","","has coordinates","204043","2020-10-21","18:00:00",""
"4126814","13.142","0.002","13.142","0.002","15.099","0.005","90","","90","","120","","2258.4","0.9","296","2","296.15","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- B15 K7.5 O30 Y2.5 -","- B15 K7.5 O30 Y2.5 -","- B45 K22.5 O90 Y7.5 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0546","0.0391","","","0.0849","0.0914","","","","","","1.0162","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4126815","13.2182","0.0018","13.2182","0.0018","14.949","0.004","90","","90","","120","","2262","0.7","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Ca K7 O30 Y2 -","- B15 Ca K7 O30 Y2 -","- B45 Ca3 K21 O90 Y6 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.027","0.0235","","","0.0475","0.0486","","","","","","0.941","","","","has coordinates","204045","2020-10-21","18:00:00",""
"4126816","12.9705","0.0015","12.9705","0.0015","15.651","0.004","90","","90","","120","","2280.3","0.7","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Ba K7 Lu2 O30 -","- B15 Ba K7 Lu2 O30 -","- B45 Ba3 K21 Lu6 O90 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0365","0.0351","","","0.0938","0.0947","","","","","","1.112","","","","has coordinates","204046","2020-10-21","18:00:00",""
"4126817","13.2512","0.0019","13.2512","0.0019","15.288","0.004","90","","90","","120","","2324.8","0.8","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Bi2 K7 O30 Sr -","- B15 Bi2 K7 O30 Sr -","- B45 Bi6 K21 O90 Sr3 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0217","0.0195","","","0.0437","0.0448","","","","","","1.068","","","","has coordinates","204047","2020-10-21","18:00:00",""
"4126818","13.1433","0.001","13.1433","0.001","14.905","0.002","90","","90","","120","","2229.8","0.4","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Ca K7 Lu2 O30 -","- B15 Ca K7 Lu2 O30 -","- B45 Ca3 K21 Lu6 O90 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0221","0.0213","","","0.0569","0.0575","","","","","","1.096","","","","has coordinates","204048","2020-10-21","18:00:00",""
"4126819","13.265","0.006","13.265","0.008","15.282","0.014","90","","90","","120","","2329","3","296","2","296.15","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- B15 Gd2.5 K7.5 O30 -","- B15 Gd2.5 K7.5 O30 -","- B45 Gd7.5 K22.5 O90 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0223","0.0211","","","0.0437","0.0445","","","","","","1.0298","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4126820","13.31","0.004","13.31","0.004","15.005","0.008","90","","90","","120","","2302.1","1.6","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Ca Gd2 K7 O30 -","- B15 Ca Gd2 K7 O30 -","- B45 Ca3 Gd6 K21 O90 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0242","0.0238","","","0.0624","0.0627","","","","","","1.056","","","","has coordinates","204050","2020-10-21","18:00:00",""
"4126821","12.9884","0.0015","12.9884","0.0015","15.718","0.004","90","","90","","120","","2296.4","0.7","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Ba K7 O30 Y2 -","- B15 Ba K7 O30 Y2 -","- B45 Ba3 K21 O90 Y6 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0549","0.0508","","","0.1367","0.14","","","","","","1.099","","","","has coordinates","204051","2020-10-21","18:00:00",""
"4126822","13.148","0.002","13.148","0.002","15.417","0.005","90","","90","","120","","2308.1","0.9","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Gd2 K7 O30 Sr -","- B15 Gd2 K7 O30 Sr -","- B45 Gd6 K21 O90 Sr3 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0206","0.0192","","","0.0391","0.0396","","","","","","1.055","","","","has coordinates","204052","2020-10-21","18:00:00",""
"4126823","16.4521","0.0005","18.7842","0.0007","28.0892","0.0011","96.665","0.001","96.453","0.001","111.654","0.001","7899.5","0.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H70 Mg2 N4 -","- C60 H70 Mg2 N4 -","- C360 H420 Mg12 N24 -","6","3","","Boutland, Aaron; Carroll, Ashlea; Alvarez Lamsfus, Carlos; Stasch, Andreas; Maron, Laurent; Jones, Cameron","Reversible Insertion of a C=C Bond into Magnesium(I) Dimers: Generation of Highly Active 1,2-Dimagnesioethane Compounds.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11368","","","0.71073","MoKα","","0.1396","0.0692","","","0.1234","0.1579","","","","","","1.068","","","","has coordinates","204084","2020-10-21","18:00:00",""
"4126824","29.3979","0.0007","15.6933","0.0007","26.8044","0.0008","90","","90.613","0.002","90","","12365.5","0.7","123","2","123","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C146 H166 Mg4 N8 O4 -","- C146 H166 Mg4 N8 O4 -","- C584 H664 Mg16 N32 O16 -","4","0.5","","Boutland, Aaron; Carroll, Ashlea; Alvarez Lamsfus, Carlos; Stasch, Andreas; Maron, Laurent; Jones, Cameron","Reversible Insertion of a C=C Bond into Magnesium(I) Dimers: Generation of Highly Active 1,2-Dimagnesioethane Compounds.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11368","","","1.54184","CuKα","","0.1065","0.0744","","","0.1941","0.2265","","","","","","1.037","","","","has coordinates,has disorder","204085","2020-10-21","18:00:00",""
"4126825","14.1072","0.0012","7.3112","0.0006","15.0154","0.0013","90","","109.164","0.0012","90","","1462.9","0.2","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 O4 -","- C16 H24 O4 -","- C64 H96 O16 -","4","1","","Ye, Qinda; Qu, Pei; Snyder, Scott A.","Total Syntheses of Scaparvins B, C, and D Enabled by a Key C‒H Functionalization","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06185","","","0.71073","MoKα","","0.0445","0.0393","","","0.1087","0.113","","","","","","1.049","","","","has coordinates","204162","2020-10-21","18:00:00",""
"4126826","23.0277","0.001","7.3247","0.0004","30.5183","0.0017","90","","97.474","0.003","90","","5103.8","0.5","150","2","150","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C41 H69 B2 Fe N9 O6 -","- C41 H69 B2 Fe N9 O6 -","- C164 H276 B8 Fe4 N36 O24 -","4","1","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","1.54178","CuKα","","0.1282","0.0877","","","0.2017","0.2187","","","","","","1.024","","","","has coordinates,has disorder","204184","2020-10-21","18:00:00",""
"4126827","11.6941","0.0005","14.2839","0.0007","15.016","0.0007","111.275","0.003","107.007","0.002","98.892","0.003","2137.29","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H67 B2 Cl2 Fe N7 -","- C41 H67 B2 Cl2 Fe N7 -","- C82 H134 B4 Cl4 Fe2 N14 -","2","1","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","1.54178","CuKα","","0.0484","0.0431","","","0.1074","0.1106","","","","","","1.063","","","","has coordinates","204185","2020-10-21","18:00:00",""
"4126828","15.8817","0.0007","16.285","0.0007","20.1341","0.0009","68.602","0.002","76.235","0.003","84.515","0.002","4708.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.89 H72.77 B2 Cl3.77 Fe N9 -","- C41.885 H72.77 B2 Cl3.77 Fe N9 -","- C167.54 H291.08 B8 Cl15.08 Fe4 N36 -","4","2","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","1.54178","CuKα","","0.0949","0.0884","","","0.2276","0.2384","","","","","","1.021","","","","has coordinates,has disorder","204186","2020-10-21","18:00:00",""
"4126829","10.8379","0.0009","16.9517","0.0011","19.8869","0.0015","105.865","0.003","105.194","0.002","105.175","0.002","3165.3","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H85 B2 Fe N7 O2.78 -","- C59 H85 B2 Fe N7 O2.783 -","- C118 H170 B4 Fe2 N14 O5.566 -","2","1","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","0.71073","MoKα","","0.0867","0.0674","","","0.15","0.165","","","","","","1.07","","","","has coordinates,has disorder","204187","2020-10-21","18:00:00",""
"4126830","16.1611","0.0005","16.1611","0.0005","16.575","0.0006","90","","90","","90","","4329.1","0.2","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C42 H69 B2 Cl2 Fe N7 -","- C42 H69 B2 Cl2 Fe N7 -","- C168 H276 B8 Cl8 Fe4 N28 -","4","0.5","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","0.71073","MoKα","","0.0817","0.0516","","","0.1151","0.1365","","","","","","1.083","","","","has coordinates,has disorder","204188","2020-10-21","18:00:00",""
"4126831","19.9291","0.0008","20.5205","0.0008","10.2091","0.0004","90","","96.6474","0.0019","90","","4147","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H63 B2 Cl2 N5 Zn -","- C41 H63 B2 Cl2 N5 Zn -","- C164 H252 B8 Cl8 N20 Zn4 -","4","1","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","1.54178","CuKα","","0.0927","0.0753","","","0.2091","0.2287","","","","","","1.085","","","","has coordinates","204189","2020-10-21","18:00:00",""
"4126832","15.5028","0.0003","39.8514","0.0007","9.9718","0.0002","90","","104.45","0.0008","90","","5965.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 Br2 Fe N5 -","- C27 H41 Br2 Fe N5 -","- C216 H328 Br16 Fe8 N40 -","8","2","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","1.54178","CuKα","","0.041","0.0367","","","0.0911","0.0937","","","","","","1.042","","","","has coordinates","204190","2020-10-21","18:00:00",""
"4126833","13.3953","0.0004","14.2668","0.0004","16.565","0.0005","99.4365","0.0013","110.118","0.0012","100.464","0.0014","2833.89","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H93 B2 Cl2 Fe N7 O3 -","- C53 H93 B2 Cl2 Fe N7 O3 -","- C106 H186 B4 Cl4 Fe2 N14 O6 -","2","1","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","1.54178","CuKα","","0.0552","0.0496","","","0.1347","0.1391","","","","","","1.084","","","","has coordinates,has disorder","204191","2020-10-21","18:00:00",""
"4126834","11.6502","0.0004","14.2465","0.0005","15.0298","0.0005","111.319","0.003","107.231","0.003","98.485","0.003","2126.27","0.15","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H67 B2 Cl2 N7 Zn -","- C41 H67 B2 Cl2 N7 Zn -","- C82 H134 B4 Cl4 N14 Zn2 -","2","1","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","1.54178","CuKα","","0.062","0.0573","","","0.1733","0.1869","","","","","","1.058","","","","has coordinates","204192","2020-10-21","18:00:00",""
"4126835","15.9919","0.0014","16.2738","0.0014","20.0906","0.0017","68.588","0.003","77.949","0.003","84.373","0.003","4759","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C41.97 H72.95 B2 Br2 Cl1.95 Fe N9 -","- C41.9735 H72.947 B2 Br2 Cl1.947 Fe N9 -","- C167.894 H291.788 B8 Br8 Cl7.788 Fe4 N36 -","4","2","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","0.71073","MoKα","","0.1327","0.0724","","","0.122","0.1437","","","","","","1.166","","","","has coordinates,has disorder","204193","2020-10-21","18:00:00",""
"4126836","19.8752","0.0006","20.452","0.0006","10.2304","0.0005","90","","96.716","0.003","90","","4130","0.3","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H63 B2 Cl2 Fe N5 -","- C41 H63 B2 Cl2 Fe N5 -","- C164 H252 B8 Cl8 Fe4 N20 -","4","1","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","1.54178","CuKα","","0.1035","0.0692","","","0.1684","0.1962","","","","","","1.028","","","","has coordinates","204194","2020-10-21","18:00:00",""
"4126837","17.465","0.0007","13.1425","0.0006","21.1101","0.0008","90","","107.985","0.0015","90","","4608.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H69 B2 Br2 Cl2 Fe N7 -","- C42 H69 B2 Br2 Cl2 Fe N7 -","- C168 H276 B8 Br8 Cl8 Fe4 N28 -","4","1","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","0.71073","MoKα","","0.0587","0.0352","","","0.0821","0.0924","","","","","","1.028","","","","has coordinates,has disorder","204195","2020-10-21","18:00:00",""
"4126838","18.8648","0.0006","8.4501","0.0002","14.5343","0.0005","90","","108.757","0.001","90","","2193.86","0.12","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 B2 N4 -","- C30 H22 B2 N4 -","- C120 H88 B8 N16 -","4","0.5","","Lu, Zhenpin; Quanz, Henrik; Burghaus, Olaf; Hofmann, Jonas David; Logemann, Christian; Beeck, Sebastian; Schreiner, Peter R.; Wegner, Hermann A.","A Stable Organic Neutral Diradical via Reversible Coordination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11823","","","0.71073","MoKα","","0.0652","0.0516","","","0.1219","0.1296","","","","","","1.067","","","","has coordinates","204243","2020-10-21","18:00:00",""
"4126839","8.1289","0.0017","11.214","0.002","20.239","0.005","84.892","0.011","83.6167","0.001","70.879","0.008","1729.6","0.6","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 As P -","- C21 H20 As P -","- C84 H80 As4 P4 -","4","2","","Taylor, Laurence J.; Bühl, Michael; Chalmers, Brian A.; Ray, Matthew J.; Wawrzyniak, Piotr; Walton, John C.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kilian, Petr","Dealkanative Main Group Couplings Across the peri-Gap.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08682","","","0.71075","MoKα","","0.0335","0.0278","","","0.0645","0.0659","","","","","","0.919","","","","has coordinates","204244","2020-10-21","18:00:00",""
"4126840","14.908","0.006","8.201","0.003","15.681","0.004","90","","113.69","0.03","90","","1755.6","1.1","173","","173","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C10 H8 P2 -","- C10 H8 P2 -","- C80 H64 P16 -","8","1","","Taylor, Laurence J.; Bühl, Michael; Chalmers, Brian A.; Ray, Matthew J.; Wawrzyniak, Piotr; Walton, John C.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kilian, Petr","Dealkanative Main Group Couplings Across the peri-Gap.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08682","","","0.71075","MoKα","","0.1004","0.0445","","","0.0746","0.0899","","","","","","1.034","","","","has coordinates","204245","2020-10-21","18:00:00",""
"4126841","9.913","0.006","10.208","0.005","12.305","0.007","95.38","0.04","106.68","0.03","117","0.04","1025.5","1.1","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 Fe P2 -","- C25 H24 Fe P2 -","- C50 H48 Fe2 P4 -","2","1","","Taylor, Laurence J.; Bühl, Michael; Chalmers, Brian A.; Ray, Matthew J.; Wawrzyniak, Piotr; Walton, John C.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kilian, Petr","Dealkanative Main Group Couplings Across the peri-Gap.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08682","","","0.71075","MoKα","","","0.0273","","","","0.0726","","","","","","1.028","","","","has coordinates","204246","2020-10-21","18:00:00",""
"4126842","15.974","0.003","7.6238","0.0013","18.084","0.004","90","","106.337","0.005","90","","2113.4","0.7","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 As Cl P -","- C24 H27 As Cl P -","- C96 H108 As4 Cl4 P4 -","4","1","","Taylor, Laurence J.; Bühl, Michael; Chalmers, Brian A.; Ray, Matthew J.; Wawrzyniak, Piotr; Walton, John C.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kilian, Petr","Dealkanative Main Group Couplings Across the peri-Gap.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08682","","","0.71075","MoKα","","","0.0199","","","","0.0553","","","","","","1.091","","","","has coordinates","204247","2020-10-21","18:00:00",""
"4126843","9.249","0.0015","13.144","0.003","14.882","0.002","89.036","0.011","72.407","0.008","87.425","0.011","1722.8","0.5","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 P2 -","- C21 H20 P2 -","- C84 H80 P8 -","4","2","","Taylor, Laurence J.; Bühl, Michael; Chalmers, Brian A.; Ray, Matthew J.; Wawrzyniak, Piotr; Walton, John C.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kilian, Petr","Dealkanative Main Group Couplings Across the peri-Gap.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08682","","","0.71075","MoKα","","0.1754","0.0805","","","0.1619","0.2022","","","","","","1.003","","","","has coordinates","204248","2020-10-21","18:00:00",""
"4126844","14.745","0.002","7.8199","0.0012","25.564","0.004","90","","95.712","0.003","90","","2933","0.8","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 As2 Cl3 P -","- C30 H32 As2 Cl3 P -","- C120 H128 As8 Cl12 P4 -","4","1","","Taylor, Laurence J.; Bühl, Michael; Chalmers, Brian A.; Ray, Matthew J.; Wawrzyniak, Piotr; Walton, John C.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kilian, Petr","Dealkanative Main Group Couplings Across the peri-Gap.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08682","","","0.71075","MoKα","","","0.0215","","","","0.0577","","","","","","1.046","","","","has coordinates","204249","2020-10-21","18:00:00",""
"4126845","8.234","0.002","41.49","0.011","5.9199","0.0016","90","","90","","90","","2022.4","0.9","125","","125","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H28 P2 -","- C24 H28 P2 -","- C96 H112 P8 -","4","1","","Taylor, Laurence J.; Bühl, Michael; Chalmers, Brian A.; Ray, Matthew J.; Wawrzyniak, Piotr; Walton, John C.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kilian, Petr","Dealkanative Main Group Couplings Across the peri-Gap.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08682","","","1.54187","CuKα","","","0.0547","","","","0.1354","","","","","","1.103","","","","has coordinates","204250","2020-10-21","18:00:00",""
"4126846","8.7407","0.0001","33.9886","0.0004","8.6771","0.0001","90","","107.725","0.001","90","","2455.46","0.05","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0421","0.0307","","","0.0802","0.0839","","","","","","1.056","","","","has coordinates,has disorder","204251","2020-10-21","18:00:00",""
"4126847","8.6987","0.0001","34.1408","0.0004","8.6081","0.0001","90","","107.578","0.001","90","","2437.07","0.05","135","2","135","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0364","0.0301","","","0.0771","0.0793","","","","","","1.07","","","","has coordinates,has disorder","204252","2020-10-21","18:00:00",""
"4126848","8.7368","0.0001","33.9968","0.0004","8.6704","0.0001","90","","107.726","0.0004","90","","2453.04","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0403","0.03","","","0.0788","0.082","","","","","","1.05","","","","has coordinates,has disorder","204253","2020-10-21","18:00:00",""
"4126849","8.8533","0.0001","33.7162","0.0004","8.8347","0.0001","90","","107.963","0.001","90","","2508.61","0.05","333","2","333","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0665","0.0335","","","0.0948","0.1034","","","","","","1.058","","","","has coordinates,has disorder","204254","2020-10-21","18:00:00",""
"4126850","8.6817","0.0001","34.1802","0.0004","8.5822","0.0001","90","","107.6","0.001","90","","2427.49","0.05","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0331","0.0285","","","0.0708","0.0722","","","","","","1.085","","","","has coordinates,has disorder","204255","2020-10-21","18:00:00",""
"4126851","8.7979","0.0001","33.8187","0.0004","8.7622","0.0001","90","","107.854","0.0005","90","","2481.5","0.05","255","2","255","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0518","0.0317","","","0.0862","0.0921","","","","","","1.058","","","","has coordinates,has disorder","204256","2020-10-21","18:00:00",""
"4126852","8.7734","0.0001","33.8944","0.0004","8.7281","0.0001","90","","107.797","0.001","90","","2471.26","0.05","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0467","0.0306","","","0.0801","0.0851","","","","","","1.052","","","","has coordinates,has disorder","204257","2020-10-21","18:00:00",""
"4126853","8.7595","0.0001","33.9181","0.0004","8.7069","0.0001","90","","107.797","0.0004","90","","2463.08","0.05","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0438","0.0315","","","0.085","0.0894","","","","","","1.037","","","","has coordinates,has disorder","204258","2020-10-21","18:00:00",""
"4126854","8.6926","0.0001","34.1564","0.0004","8.5956","0.0001","90","","107.603","0.0004","90","","2432.61","0.05","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0352","0.0294","","","0.076","0.078","","","","","","1.073","","","","has coordinates,has disorder","204259","2020-10-21","18:00:00",""
"4126855","8.7259","0.0001","34.0441","0.0004","8.6527","0.0001","90","","107.669","0.001","90","","2449.16","0.05","165","2","165","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0391","0.0306","","","0.0784","0.0812","","","","","","1.071","","","","has coordinates,has disorder","204260","2020-10-21","18:00:00",""
"4126856","8.8839","0.0001","33.6507","0.0004","8.8737","0.0001","90","","108.061","0.0005","90","","2522.08","0.05","375","2","375","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0668","0.0342","","","0.094","0.1029","","","","","","1.006","","","","has coordinates,has disorder","204261","2020-10-21","18:00:00",""
"4126857","8.7156","0.0001","34.0813","0.0004","8.636","0.0001","90","","107.632","0.001","90","","2444.72","0.05","155","2","155","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0383","0.029","","","0.0747","0.0777","","","","","","1.081","","","","has coordinates,has disorder","204262","2020-10-21","18:00:00",""
"4126858","8.8294","0.0001","33.7719","0.0004","8.8052","0.0001","90","","107.901","0.001","90","","2498.48","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0592","0.0324","","","0.0897","0.0968","","","","","","1.078","","","","has coordinates,has disorder","204263","2020-10-21","18:00:00",""
"4126859","10.9474","0.0006","10.1261","0.0006","11.0142","0.0005","90","","90.925","0.002","90","","1220.81","0.11","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O8 Si -","- C24 H30 N2 O8 Si -","- C48 H60 N4 O16 Si2 -","2","1","","Nakhla, Mina C.; Wood, John L.","Total Synthesis of (±)-Aspergilline A.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12570","","","0.71073","MoKα","","0.0622","0.0467","","","0.1013","0.1079","","","","","","1.034","","","","has coordinates","204292","2020-10-21","18:00:00",""
"4126860","10.497","0.0013","14.738","0.002","25.566","0.004","90","","97.466","0.004","90","","3921.7","0.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O8 -","- C21 H22 N2 O8 -","- C168 H176 N16 O64 -","8","2","","Nakhla, Mina C.; Wood, John L.","Total Synthesis of (±)-Aspergilline A.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12570","","","0.71073","MoKα","","0.0823","0.0607","","","0.1587","0.1753","","","","","","1.021","","","","has coordinates,has disorder","204293","2020-10-21","18:00:00",""
"4126861","12.462","0.0006","8.1989","0.0004","18.0499","0.0009","90","","93.8768","0.0017","90","","1840.02","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O7 -","- C21 H22 N2 O7 -","- C84 H88 N8 O28 -","4","1","","Nakhla, Mina C.; Wood, John L.","Total Synthesis of (±)-Aspergilline A.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12570","","","0.71073","MoKα","","0.0445","0.0374","","","0.0958","0.1008","","","","","","1.022","","","","has coordinates,has disorder","204294","2020-10-21","18:00:00",""
"4126862","10.2475","0.0003","15.4739","0.0005","15.5849","0.0005","90.329","0.001","96.874","0.001","91.826","0.001","2452.15","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 N2 O6 Si -","- C25 H32 N2 O6 Si -","- C100 H128 N8 O24 Si4 -","4","2","","Nakhla, Mina C.; Wood, John L.","Total Synthesis of (±)-Aspergilline A.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12570","","","0.71073","MoKα","","0.0645","0.0465","","","0.1128","0.1219","","","","","","1.041","","","","has coordinates","204295","2020-10-21","18:00:00",""
"4126863","10.2039","0.0002","13.4425","0.0003","20.8754","0.0004","75.4849","0.001","77.9502","0.001","72.9084","0.0011","2621.18","0.09","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C41.5 H44 Cu2 F9 N8 O11 S3 -","- C41.5 H44 Cu2 F9 N8 O11 S3 -","- C83 H88 Cu4 F18 N16 O22 S6 -","2","1","","Ali, Ghazanfar; VanNatta, Peter E.; Ramirez, David A.; Light, Kenneth M.; Kieber-Emmons, Matthew T","Thermodynamics of a μ-oxo Dicopper(II) Complex for Hydrogen Atom Abstraction.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10833","","","0.71073","MoKα","","0.0914","0.0513","","","0.1304","0.1509","","","","","","1.044","","","","has coordinates,has disorder","204296","2020-10-21","18:00:00",""
"4126864","20.8909","0.0009","12.5657","0.0005","20.1842","0.0009","90","","95.274","0.001","90","","5276.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H74 N4 O3 Pd -","- C54 H74 N4 O3 Pd -","- C216 H296 N16 O12 Pd4 -","4","1","","Palluccio, Taryn D.; Cai, Xiaochen; Majumdar, Subhojit; Serafim, Leonardo F.; Tomson, Neil C.; Wieghardt, Karl; Cazin, Catherine S. J.; Nolan, Steven P.; Rybak-Akimova, Elena V; Fernández-González, Miguel Angel; Temprado, Manuel; Captain, Burjor; Hoff, Carl D.","Ligand-directed Reactivity in Dioxygen and Water Binding to cis-[Pd(NHC)2(η2-O2)].","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09905","","","0.71073","MoKα","","0.0604","0.0482","","","0.1324","0.1433","","","","","","1.075","","","","has coordinates","204333","2020-10-21","18:00:00",""
"4126865","10.8855","0.0005","41.9831","0.0018","10.0006","0.0004","90","","91.326","0.002","90","","4569.1","0.3","290","5","290","5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H60 Fe N6 O4 -","- C46 H60 Fe N6 O4 -","- C184 H240 Fe4 N24 O16 -","4","2","","Rosario-Amorin, Daniel; Dechambenoit, Pierre; Bentaleb, Ahmed; Rouzieres, Mathieu; Mathonière, Corine; Clérac, Rodolphe","Multistability at room temperature in a bent-shaped spin-crossover complex decorated with long alkyl chains.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11042","","","0.71073","MoKα","","0.0483","0.0376","","","0.083","0.0871","","","","","","1.029","","","","has coordinates","204359","2020-10-21","18:00:00",""
"4126866","11.3454","0.0007","37.59","0.003","10.3499","0.0007","90","","97.905","0.003","90","","4372","0.5","220","5","220","5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H60 Fe N6 O4 -","- C46 H60 Fe N6 O4 -","- C184 H240 Fe4 N24 O16 -","4","1","","Rosario-Amorin, Daniel; Dechambenoit, Pierre; Bentaleb, Ahmed; Rouzieres, Mathieu; Mathonière, Corine; Clérac, Rodolphe","Multistability at room temperature in a bent-shaped spin-crossover complex decorated with long alkyl chains.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11042","","","0.71073","MoKα","","0.0708","0.0511","","","0.1163","0.1278","","","","","","1.069","","","","has coordinates,has disorder","204360","2020-10-21","18:00:00",""
"4126867","10.912","0.0005","42.1096","0.0019","10.0118","0.0004","90","","90","","90","","4600.4","0.3","315","5","315","5","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C46 H60 Fe N6 O4 -","- C46 H60 Fe N6 O4 -","- C184 H240 Fe4 N24 O16 -","4","1","","Rosario-Amorin, Daniel; Dechambenoit, Pierre; Bentaleb, Ahmed; Rouzieres, Mathieu; Mathonière, Corine; Clérac, Rodolphe","Multistability at room temperature in a bent-shaped spin-crossover complex decorated with long alkyl chains.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11042","","","0.71073","MoKα","","0.0524","0.047","","","0.1281","0.1322","","","","","","1.107","","","","has coordinates","204361","2020-10-21","18:00:00",""
"4126868","13.0612","0.0005","13.1299","0.0005","11.4816","0.0005","90","","90","","90","","1969.01","0.14","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H35 N O4 S -","- C18 H36.5 N O4 S -","- C72 H146 N4 O16 S4 -","4","1","","Matsuki, Masaya; Yamada, Teppei; Yasuda, Nobuhiro; Dekura, Shun; Kitagawa, Hiroshi; Kimizuka, Nobuo","Non-Polar to Polar Phase Transition of a Chiral Ionic Plastic Crystal and the Switch of Rotation Symmetry.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10249","","","0.78203","Synchrotron","","0.1135","0.0705","","","0.1733","0.2248","","","","","","1.146","","","","has coordinates,has disorder","204362","2020-10-21","18:00:00",""
"4126869","13.3219","0.0008","13.3283","0.0008","11.5783","0.0008","90","","90","","90","","2055.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H35 N O4 S -","- C18 H35 N O4 S -","- C72 H140 N4 O16 S4 -","4","1","","Matsuki, Masaya; Yamada, Teppei; Yasuda, Nobuhiro; Dekura, Shun; Kitagawa, Hiroshi; Kimizuka, Nobuo","Non-Polar to Polar Phase Transition of a Chiral Ionic Plastic Crystal and the Switch of Rotation Symmetry.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10249","","","0.78203","Synchrotron","","0.1432","0.0955","","","0.2392","0.2898","","","","","","2.017","","","","has coordinates,has disorder","204363","2020-10-21","18:00:00",""
"4126870","9.5107","0.0012","9.5076","0.0012","11.6475","0.0015","90","","90.025","0.003","90","","1053.2","0.2","354","2","354","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H35 N O4 S -","- C18 H35 N O4 S -","- C36 H70 N2 O8 S2 -","2","1","","Matsuki, Masaya; Yamada, Teppei; Yasuda, Nobuhiro; Dekura, Shun; Kitagawa, Hiroshi; Kimizuka, Nobuo","Non-Polar to Polar Phase Transition of a Chiral Ionic Plastic Crystal and the Switch of Rotation Symmetry.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10249","","","0.78203","MoKα","","0.1149","0.0972","","","0.253","0.285","","","","","","1.161","","","","has coordinates,has disorder","204364","2020-10-21","18:00:00",""
"4126871","33.0134","0.0004","33.0134","0.0004","33.0134","0.0004","90","","90","","90","","35980.8","0.8","100","2","100","2","","","","","","","","7","F 2 3","F 2 2 3","196","","","","- C216 H224 B Co20 F4 N72 O16 -","- C216 H223.999 B Co20 F4 N72 O16 -","- C864 H895.997 B4 Co80 F16 N288 O64 -","4","0.0833333","","Luo, Dong; Wang, Xue-Zhi; Yang, Chen; Zhou, Xiao-Ping; Li, Dan","Self-Assembly of Chiral Metal-Organic Tetartoid.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11285","","","1.54184","CuKα","","0.0823","0.0792","","","0.2237","0.2276","","","","","","1.136","","","","has coordinates","204365","2020-10-21","18:00:00",""
"4126872","32.9797","0.0003","32.9797","0.0003","32.9797","0.0003","90","","90","","90","","35870.7","0.6","100","2","100","2","","","","","","","","7","F 2 3","F 2 2 3","196","","","","- C216 H224 B Co20 F4 N72 O16 -","- C216 H223.999 B Co20 F4 N72 O16 -","- C864 H895.997 B4 Co80 F16 N288 O64 -","4","0.0833333","","Luo, Dong; Wang, Xue-Zhi; Yang, Chen; Zhou, Xiao-Ping; Li, Dan","Self-Assembly of Chiral Metal-Organic Tetartoid.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11285","","","1.54184","CuKα","","0.0535","0.0514","","","0.1385","0.1417","","","","","","1.045","","","","has coordinates","204365","2020-10-21","18:00:00",""
"4126873","32.855","0.0003","32.855","0.0003","32.855","0.0003","90","","90","","90","","35465.4","0.6","100","2","100","2","","","","","","","","7","F 2 3","F 2 2 3","196","","","","- C240 H272 B Co20 F4 N72 O16 -","- C240 H271.999 B Co20 F4 N72 O16 -","- C960 H1088 B4 Co80 F16 N288 O64 -","4","0.0833333","","Luo, Dong; Wang, Xue-Zhi; Yang, Chen; Zhou, Xiao-Ping; Li, Dan","Self-Assembly of Chiral Metal-Organic Tetartoid.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11285","","","1.54184","CuKα","","0.0506","0.0469","","","0.1381","0.1406","","","","","","1.083","","","","has coordinates","204365","2020-10-21","18:00:00",""
"4126874","33.0237","0.0003","33.0237","0.0003","33.0237","0.0003","90","","90","","90","","36014.5","0.6","100","2","100","2","","","","","","","","7","F 2 3","F 2 2 3","196","","","","- C240 H272 B Co20 F4 N72 O16 -","- C240 H271.999 B Co20 F4 N72 O16 -","- C960 H1088 B4 Co80 F16 N288 O64 -","4","0.0833333","","Luo, Dong; Wang, Xue-Zhi; Yang, Chen; Zhou, Xiao-Ping; Li, Dan","Self-Assembly of Chiral Metal-Organic Tetartoid.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11285","","","1.54184","CuKα","","0.0745","0.0687","","","0.1938","0.2026","","","","","","1.057","","","","has coordinates","204365","2020-10-21","18:00:00",""
"4126875","33.0388","0.0004","33.0388","0.0004","33.0388","0.0004","90","","90","","90","","36063.9","0.8","100","2","100","2","","","","","","","","6","F 2 3","F 2 2 3","196","","","","- C216 H224 Cl Co20 N72 O20 -","- C216 H223.999 Cl Co20 N72 O20 -","- C864 H895.997 Cl4 Co80 N288 O80 -","4","0.0833333","","Luo, Dong; Wang, Xue-Zhi; Yang, Chen; Zhou, Xiao-Ping; Li, Dan","Self-Assembly of Chiral Metal-Organic Tetartoid.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11285","","","1.54184","CuKα","","0.0994","0.0746","","","0.207","0.2241","","","","","","1.055","","","","has coordinates","204365","2020-10-21","18:00:00",""
"4126876","32.9647","0.0004","32.9647","0.0004","32.9647","0.0004","90","","90","","90","","35821.8","0.8","100","2","100","2","","","","","","","","6","F 2 3","F 2 2 3","196","","","","- C216 H224 Cl Co20 N72 O20 -","- C216 H223.999 Cl Co20 N72 O20 -","- C864 H895.997 Cl4 Co80 N288 O80 -","4","0.0833333","","Luo, Dong; Wang, Xue-Zhi; Yang, Chen; Zhou, Xiao-Ping; Li, Dan","Self-Assembly of Chiral Metal-Organic Tetartoid.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11285","","","1.54184","CuKα","","0.0985","0.0902","","","0.2671","0.2856","","","","","","1.254","","","","has coordinates","204365","2020-10-21","18:00:00",""
"4126877","33.0274","0.0004","33.0274","0.0004","33.0274","0.0004","90","","90","","90","","36026.6","0.8","100","2","100","2","","","","","","","","7","F 2 3","F 2 2 3","196","","","","- C216 H224 Co20 F42 N72 O16 P7 -","- C216 H223.999 Co20 F42 N72 O16 P7 -","- C864 H895.997 Co80 F168 N288 O64 P28 -","4","0.0833333","","Luo, Dong; Wang, Xue-Zhi; Yang, Chen; Zhou, Xiao-Ping; Li, Dan","Self-Assembly of Chiral Metal-Organic Tetartoid.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11285","","","1.54184","CuKα","","0.0783","0.0689","","","0.1987","0.2121","","","","","","1.045","","","","has coordinates","204365","2020-10-21","18:00:00",""
"4126878","32.9732","0.0002","32.9732","0.0002","32.9732","0.0002","90","","90","","90","","35849.5","0.4","100","2","100","2","","","","","","","","7","F 2 3","F 2 2 3","196","","","","- C216 H224 Co20 F42 N72 O16 P7 -","- C216 H223.999 Co20 F42 N72 O16 P7 -","- C864 H895.997 Co80 F168 N288 O64 P28 -","4","0.0833333","","Luo, Dong; Wang, Xue-Zhi; Yang, Chen; Zhou, Xiao-Ping; Li, Dan","Self-Assembly of Chiral Metal-Organic Tetartoid.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11285","","","1.54178","CuKα","","0.1684","0.1568","","","0.4104","0.4236","","","","","","1.793","","","","has coordinates","204365","2020-10-21","18:00:00",""
"4126879","32.9727","0.0003","32.9727","0.0003","32.9727","0.0003","90","","90","","90","","35847.9","0.6","100","2","100","2","","","","","","","","7","F 2 3","F 2 2 3","196","","","","- C217 H224 Co20 F3 N72 O19 S -","- C217 H223.999 Co20 F3 N72 O19 S -","- C868 H895.997 Co80 F12 N288 O76 S4 -","4","0.0833333","","Luo, Dong; Wang, Xue-Zhi; Yang, Chen; Zhou, Xiao-Ping; Li, Dan","Self-Assembly of Chiral Metal-Organic Tetartoid.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11285","","","1.54184","CuKα","","0.0707","0.0611","","","0.1672","0.1748","","","","","","1.06","","","","has coordinates,has disorder","204365","2020-10-21","18:00:00",""
"4126880","32.9477","0.0003","32.9477","0.0003","32.9477","0.0003","90","","90","","90","","35766.4","0.6","100","2","100","2","","","","","","","","7","F 2 3","F 2 2 3","196","","","","- C217 H224 Co20 F3 N72 O19 S -","- C217 H223.999 Co20 F3 N72 O19 S -","- C868 H895.997 Co80 F12 N288 O76 S4 -","4","0.0833333","","Luo, Dong; Wang, Xue-Zhi; Yang, Chen; Zhou, Xiao-Ping; Li, Dan","Self-Assembly of Chiral Metal-Organic Tetartoid.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11285","","","1.54184","CuKα","","0.0791","0.0741","","","0.2089","0.2162","","","","","","1.08","","","","has coordinates,has disorder","204365","2020-10-21","18:00:00",""
"4126881","15.5006","0.0005","15.8244","0.0006","28.8173","0.0005","102.076","0.003","94.72","0.002","105.169","0.003","6600.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H84 Co8 N42 O18 -","- C96 H84 Co8 N42 O18 -","- C192 H168 Co16 N84 O36 -","2","1","","Luo, Dong; Wang, Xue-Zhi; Yang, Chen; Zhou, Xiao-Ping; Li, Dan","Self-Assembly of Chiral Metal-Organic Tetartoid.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11285","","","1.54178","CuKα","","0.1198","0.0636","","","0.1654","0.1917","","","","","","0.898","","","","has coordinates","204365","2020-10-21","18:00:00",""
"4126882","17.319","0.0002","17.319","0.0002","17.319","0.0002","90","","90","","90","","5194.8","0.1","293","","293","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C9.6 H18.4 N6 O7.6 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.71073","MoKα","","0.0521","0.0513","","0.091","0.0906","0.091","","","","","","0.7556","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126883","17.359","0.003","17.359","0.003","17.359","0.003","90","","90","","90","","5230.9","1.6","293","","293","","","","110000","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C7.46 H9.84 N6 O5.54 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.71073","MoKα","","0.0467","0.0373","","0.1113","0.0939","0.1045","","","","","","0.8156","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126884","17.3408","0.0019","17.3408","0.0019","17.3408","0.0019","90","","90","","90","","5214.4","1","293","","293","","","","310000","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C7.58 H10.32 N6 O5.58 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.71073","MoKα","","0.0444","0.0363","","0.0935","0.0868","0.0935","","","","","","0.8652","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126885","17.24","0.0003","17.24","0.0003","17.24","0.0003","90","","90","","90","","5124.03","0.15","293","","293","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C10.64 H10.56 N6 O5.64 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.71073","MoKα","","0.0596","0.0525","","0.1438","0.1333","0.1438","","","","","","0.8272","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126886","17.215","0.0004","17.215","0.0004","17.215","0.0004","90","","90","","90","","5101.8","0.2","293","","293","","","","1410000","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C7.92 H11.68 N6 O5.92 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.71073","MoKα","","0.067","0.0589","","0.1597","0.1492","0.1597","","","","","","0.8517","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126887","17.1533","0.0009","17.1533","0.0009","17.1533","0.0009","90","","90","","90","","5047.1","0.5","293","","293","","","","2160000","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C8.53 H14.12 N6 O6.53 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.4895","Synchrotron","","0.0809","0.0676","","0.1996","0.1794","0.1996","","","","","","0.9228","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126888","17.0971","0.0005","17.0971","0.0005","17.0971","0.0005","90","","90","","90","","4997.7","0.3","293","","293","","","","2940000","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C8.75 H15 N6 O6.75 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.4895","Synchrotron","","0.0941","0.0665","","0.2027","0.1626","0.2027","","","","","","0.9744","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126889","17.0228","0.0017","17.0228","0.0017","17.0228","0.0017","90","","90","","90","","4932.8","0.9","293","","293","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C8.83 H15.32 N6 O6.83 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.4895","Synchrotron","","0.0817","0.0665","","0.1955","0.1716","0.1955","","","","","","0.9352","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126890","16.9632","0.0016","16.9632","0.0016","16.9632","0.0016","90","","90","","90","","4881.2","0.8","293","","293","","","","4770000","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C8.73 H14.92 N6 O6.73 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.71073","MoKα","","0.0895","0.0744","","0.2089","0.1905","0.2089","","","","","","0.9346","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126891","16.938","0.0011","16.938","0.0011","16.938","0.0011","90","","90","","90","","4859.4","0.5","293","","293","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C8 H6 N4 O2 Zn -","- C8 H6 N4 O2 Zn -","- C96 H72 N48 O24 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.71073","MoKα","","0.2032","0.1823","","0.4632","0.3996","0.4629","","","","","","0.9903","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126892","17.2663","0.0007","17.2663","0.0007","17.2663","0.0007","90","","90","","90","","5147.5","0.4","293","","293","","","","340000","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C16 H63 N O16 Zn -","- C8 H6 N4 O2 Zn -","- C96 H72 N48 O24 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.71073","MoKα","","0.0513","0.0473","","0.1047","0.0986","0.1047","","","","","","1.0302","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126893","17.2458","0.0009","17.2458","0.0009","17.2458","0.0009","90","","90","","90","","5129.2","0.5","293","","293","","","","880000","","","","","5","I -4 3 m","I -4 2 3","217","","zif-90","","- C10 H14 N4 O4 Zn -","- C24 H18 N12 O6 Zn3 -","- C96 H72 N48 O24 Zn12 -","4","0.0833333","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.71073","MoKα","","0.1197","0.1127","","0.2701","0.2543","0.2701","","","","","","0.962","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126894","17.251","0.0017","17.251","0.0017","17.251","0.0017","90","","90","","90","","5133.8","0.9","293","","293","","","","1480000","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C13 H26 N4 O7 Zn -","- C8 H6 N4 O2 Zn -","- C96 H72 N48 O24 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.4895","synchrotron","","0.1265","0.1235","","0.2891","0.2834","0.2891","","","","","","0.8938","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126895","17.185","0.002","17.185","0.002","17.185","0.002","90","","90","","90","","5075.1","1","293","","293","","","","2110000","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C13.6 H26.4 N4 O7.6 Zn -","- C8 H6 N4 O2 Zn -","- C96 H72 N48 O24 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.71073","MoKα","","0.2977","0.2869","","0.6211","0.6229","0.6211","","","","","","1.023","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126896","16.783","0.016","12.4","0.012","20.473","0.019","90","","102.182","0.019","90","","4165","7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","7-1105-7X","toste94","","- C37 H50 Au Cl2 F6 N2 O3 Sb -","- C37 H50 Au Cl2 F6 N2 O3 Sb -","- C148 H200 Au4 Cl8 F24 N8 O12 Sb4 -","4","1","","Zhukhovitskiy, Aleksandr V.; Kobylianskii, Ilia J.; Wu, Chung-Yeh; Toste, F. Dean","Migratory Insertion of Carbenes into Au(III)‒C Bonds","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11435","","","0.71073","MoKα","","0.0613","0.0478","","","0.1123","0.1225","","","","","","1.046","","","","has coordinates,has disorder","204412","2020-10-21","18:00:00",""
"4126897","11.5119","0.0007","12.4187","0.0011","17.4473","0.001","77.671","0.004","72.125","0.003","74.609","0.002","2264.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","cw002","","- C41 H44 Au F6 N3 O5 S2 -","- C41 H44 Au F6 N3 O5 S2 -","- C82 H88 Au2 F12 N6 O10 S4 -","2","1","","Zhukhovitskiy, Aleksandr V.; Kobylianskii, Ilia J.; Wu, Chung-Yeh; Toste, F. Dean","Migratory Insertion of Carbenes into Au(III)‒C Bonds","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11435","","","0.71073","MoKα","","0.0692","0.0627","","","0.1768","0.1822","","","","","","1.063","","","","has coordinates","204413","2020-10-21","18:00:00",""
"4126898","10.6265","0.0011","21.339","0.002","17.8939","0.0019","90","","107.27","","90","","3874.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","cmh_az_0115","","","- C33 H42 Au F6 N3 O6 S2 -","- C33 H42 Au F6 N3 O6 S2 -","- C132 H168 Au4 F24 N12 O24 S8 -","4","1","","Zhukhovitskiy, Aleksandr V.; Kobylianskii, Ilia J.; Wu, Chung-Yeh; Toste, F. Dean","Migratory Insertion of Carbenes into Au(III)‒C Bonds","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11435","","","0.71073","MoKα","","0.0787","0.0615","","","0.1487","0.1554","","","","","","1.071","","","","has coordinates","204414","2020-10-21","18:00:00",""
"4126899","4.861","0.0002","9.8176","0.0004","14.4748","0.0005","90","","90.212","0.004","90","","690.78","0.05","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 Br N O -","- C14 H16 Br N O -","- C28 H32 Br2 N2 O2 -","2","1","","Bai, Xiao-Yan; Zhang, Wen-Wen; Li, Qian; Li, Bi-Jie","Highly Enantioselective Synthesis of Propargyl Amides through Rh-Catalyzed Asymmetric Hydroalkynylation of Enamides: Scope, Mechanism, and Origin of Selectivity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12054","","","1.54178","CuKα","","0.0438","0.0411","","","0.0936","0.0956","","","","","","0.989","","","","has coordinates","204415","2020-10-21","18:00:00",""
"4126900","15.469","0.002","15.469","0.002","34.551","0.005","90","","90","","90","","8267.7","1.9","100","2","100","","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C44 H22 N4 O8 -","- C44 H22 N4 O8 -","- C352 H176 N32 O64 -","8","","","Wu, Yilei; Han, Ji-Min; Hong, Michael; Krzyaniak, Matthew D.; Blackburn, Anthea K.; Fernando, Isurika R.; Cao, Dennis D.; Wasielewski, Michael R.; Stoddart, J. Fraser","X-Shaped Oligomeric Pyromellitimide Polyradicals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12124","","","1.54178","CuKα","","0.112","0.0694","","","0.1715","0.1911","","","","","","0.929","","","","has coordinates","204462","2020-10-21","18:00:00",""
"4126901","12.8554","0.0008","8.6634","0.0003","13.3612","0.0008","90","","118.093","0.008","90","","1312.74","0.16","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Molloy, John J.; Seath, Ciaran P.; West, Matthew J.; McLaughlin, Calum; Fazakerley, Neal J.; Kennedy, Alan R.; Nelson, David James; Watson, Allan J. B.","Interrogating Pd(II) anion metathesis using a bifunctional chemical probe: A transmetalation switch.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11180","","","1.5418","CuKα","","0.0481","0.0425","","","0.1134","0.1202","","","","","","1.034","","","","has coordinates","204485","2020-10-21","18:00:00",""
"4126902","13.381","0.004","14.344","0.006","13.503","0.004","90","","103.2","0.02","90","","2523.2","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 B N O5 -","- C29 H32 B N O5 -","- C116 H128 B4 N4 O20 -","4","1","","Molloy, John J.; Seath, Ciaran P.; West, Matthew J.; McLaughlin, Calum; Fazakerley, Neal J.; Kennedy, Alan R.; Nelson, David James; Watson, Allan J. B.","Interrogating Pd(II) anion metathesis using a bifunctional chemical probe: A transmetalation switch.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11180","","","0.71073","MoKα","","0.1181","0.0635","","","0.1042","0.1304","","","","","","0.995","","","","has coordinates","204485","2020-10-21","18:00:00",""
"4126903","9.246","0.002","9.675","0.002","10.403","0.002","81.302","0.008","70.91","0.007","87.124","0.008","869.3","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H25 B O4 -","- C18 H25 B O4 -","- C36 H50 B2 O8 -","2","1","","Logan, Kaitlyn M.; Sardini, Stephen R.; White, Sean D.; Brown, M. Kevin","Nickel-Catalyzed Stereoselective Arylboration of Unactivated Alkenes","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12160","","","0.71073","MoKα","","0.1626","0.1239","","","0.3309","0.3487","","","","","","2.187","","","","has coordinates,has disorder","204486","2020-10-21","18:00:00",""
"4126904","9.102","0.003","10.739","0.004","11.209","0.004","115.321","0.01","97.689","0.009","97.641","0.009","959.1","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N6 O8 Zn3 -","- C20 H12 N6 O8 Zn3 -","- C20 H12 N6 O8 Zn3 -","1","0.5","","Lama, Prem; Barbour, Leonard J.","Distinctive Three-Step Hysteretic Sorption of Ethane with In-situ Crystallographic Visualization of the Pore Forms in a Soft Porous Crystal.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10352","","","0.71073","MoKα","","0.2122","0.1207","","","0.2959","0.3415","","","","","","1.131","","","","has coordinates,has disorder","204514","2020-10-21","18:00:00",""
"4126905","8.8288","0.0004","19.6384","0.0009","8.0916","0.0004","90","","115.063","0.002","90","","1270.85","0.11","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N6 O8 Zn3 -","- C20 H12 N6 O8 Zn3 -","- C40 H24 N12 O16 Zn6 -","2","0.5","","Lama, Prem; Barbour, Leonard J.","Distinctive Three-Step Hysteretic Sorption of Ethane with In-situ Crystallographic Visualization of the Pore Forms in a Soft Porous Crystal.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10352","","","0.71073","MoKα","","0.0363","0.0294","","","0.0668","0.0708","","","","","","1.186","","","","has coordinates,has disorder","204515","2020-10-21","18:00:00",""
"4126906","8.8288","0.0004","19.6384","0.0009","8.0916","0.0004","90","","115.063","0.002","90","","1270.85","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N6 O8 Zn3 -","- C20 H12 N6 O8 Zn3 -","- C40 H24 N12 O16 Zn6 -","2","0.5","","Lama, Prem; Barbour, Leonard J.","Distinctive Three-Step Hysteretic Sorption of Ethane with In-situ Crystallographic Visualization of the Pore Forms in a Soft Porous Crystal.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10352","","","0.71073","MoKα","","0.0393","0.0314","","","0.0783","0.083","","","","","","1.264","","","","has coordinates,has disorder","204516","2020-10-21","18:00:00",""
"4126907","9.102","0.003","10.739","0.004","11.209","0.004","115.321","0.01","97.689","0.009","97.641","0.009","959.1","0.6","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N6 O8 Zn3 -","- C20 H12 N6 O8 Zn3 -","- C20 H12 N6 O8 Zn3 -","1","0.5","","Lama, Prem; Barbour, Leonard J.","Distinctive Three-Step Hysteretic Sorption of Ethane with In-situ Crystallographic Visualization of the Pore Forms in a Soft Porous Crystal.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10352","","","0.71073","MoKα","","0.1432","0.089","","","0.1717","0.1945","","","","","","0.973","","","","has coordinates,has disorder","204517","2020-10-21","18:00:00",""
"4126908","10.2603","0.0003","19.3424","0.0005","33.2993","0.0011","90","","90","","90","","6608.5","0.3","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C73 H56 Fe I O P3 Ru -","- C73 H55 Fe I O P3 Ru -","- C292 H220 Fe4 I4 O4 P12 Ru4 -","4","1","","Gallardo-Donaire, Joan; Hermsen, Marko; Wysocki, Jedrzej; Ernst, Martin; Rominger, Frank; Trapp, Oliver; Hashmi, A Stephen K; Schaefer, Ansgar; Comba, Peter; Schaub, Thomas","Direct Asymmetric Ruthenium-Catalyzed Reductive Amination of Alkyl-Aryl Ketones with Ammonia and Hydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10496","","","0.71073","MoKα","","0.0738","0.0525","","","0.098","0.1051","","","","","","0.988","","","","has coordinates","204520","2020-10-21","18:00:00",""
"4126909","18.4438","0.0012","18.4438","0.0012","62.155","0.008","90","","90","","120","","18311","3","173","","173","","","","","","","","","6","R -3 c","-R 3 2""c","167","","","","- C18 Cl17 Cs3 N6 O78 Ti12 -","- C18 Cl17 Cs3 N6 O78 Ti12 -","- C108 Cl102 Cs18 N36 O468 Ti72 -","6","","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.0996","0.0966","","","0.2864","0.2883","","","","","","1.175","","","","has coordinates,has disorder","204521","2020-10-21","18:00:00",""
"4126910","13.909","0.003","17.333","0.004","20.456","0.004","90","","105.254","0.003","90","","4757.9","1.8","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cl8 Cs8 O66 S6 Ti12 -","- Cl8 Cs8 O66 S6 Ti12 -","- Cl16 Cs16 O132 S12 Ti24 -","2","0.5","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.1774","0.1522","","","0.3659","0.3821","","","","","","1.099","","","","has coordinates","204522","2020-10-21","18:00:00",""
"4126911","11.6472","0.0009","14.8259","0.0012","16.4433","0.0013","68.408","0.001","74.836","0.001","85.085","0.001","2548.1","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C18 Cl22 K2.5 N6 O76 Ti12 -","- C18 Cl16 K2.5 N6 O66 Ti12 -","- C18 Cl16 K2.5 N6 O66 Ti12 -","1","0.5","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.1383","0.1166","","","0.2855","0.2967","","","","","","1.128","","","","has coordinates,has disorder","204523","2020-10-21","18:00:00",""
"4126912","14.37","0.02","13.06","0.02","24.57","0.03","90","","93.97","0.03","90","","4600","11","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C4 Cl10 Cs5 N2 O70 S6 Ti12 -","- C4 Cl10 Cs5 N2 O70 S6 Ti12 -","- C8 Cl20 Cs10 N4 O140 S12 Ti24 -","2","0.5","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.1639","0.1199","","","0.3041","0.3328","","","","","","1.072","","","","has coordinates","204524","2020-10-21","18:00:00",""
"4126913","18.3578","0.0007","18.3578","0.0007","62.096","0.004","90","","90","","120","","18123.2","1.5","173","","173","","","","","","","","","6","R -3","-R 3","148","","","","- C18 Cl18 N6 O79 Rb3 Ti12 -","- C18 Cl17.975 N6 O69 Rb3 Ti12 -","- C108 Cl107.85 N36 O414 Rb18 Ti72 -","6","","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.1535","0.1242","","","0.3546","0.3685","","","","","","1.074","","","","has coordinates","204525","2020-10-21","18:00:00",""
"4126914","13.353","0.004","13.748","0.004","14.803","0.005","88.866","0.004","80.517","0.004","80.172","0.004","2640.9","1.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C18 Cl17 Cs3 N6 O61 Ti12 -","- C18 Cl17 Cs3 N6 O61 Ti12 -","- C18 Cl17 Cs3 N6 O61 Ti12 -","1","0.5","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.0982","0.0856","","","0.225","0.2348","","","","","","1.055","","","","has coordinates","204526","2020-10-21","18:00:00",""
"4126915","13.5076","0.0006","16.1427","0.0008","21.3336","0.001","69.897","0.003","72.364","0.003","67.624","0.003","3959.3","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- Br2 Cs4 O83 S8 Ti12 -","- Br2 Cs4 O78 S8 Ti12 -","- Br4 Cs8 O156 S16 Ti24 -","2","1","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.1759","0.1497","","","0.4247","0.4491","","","","","","1.792","","","","has coordinates,has disorder","204527","2020-10-21","18:00:00",""
"4126916","13.9221","0.001","23.0542","0.0015","17.7342","0.0012","90","","96.626","0.001","90","","5654","0.7","173","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 Cl18.66 Cs3 N6 O69 Ti12 -","- C24 Cl18.6667 Cs3 N6 O69 Ti12 -","- C48 Cl37.3334 Cs6 N12 O138 Ti24 -","2","1","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.1125","0.0866","","","0.2441","0.2713","","","","","","1.027","","","","has coordinates","204528","2020-10-21","18:00:00",""
"4126917","12.407","0.003","20.231","0.004","17.837","0.004","90","","92.139","0.002","90","","4474.1","1.7","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 Cl15 Cs3 N6 O64 Ti12 -","- C12 Cl15 Cs3 N6 O64 Ti12 -","- C24 Cl30 Cs6 N12 O128 Ti24 -","2","0.5","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.0392","0.0317","","","0.0865","0.0903","","","","","","1.055","","","","has coordinates","204529","2020-10-21","18:00:00",""
"4126918","16.673","0.005","22.411","0.006","22.543","0.007","75.807","0.003","79.387","0.003","80.338","0.003","7960","4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 Ca Cl15 N6 O58 Ti12 -","- C30 Ca Cl15 N6 O58 Ti12 -","- C90 Ca3 Cl45 N18 O174 Ti36 -","3","1.5","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.3053","0.2235","","","0.556","0.5814","","","","","","1.762","","","","has coordinates","204530","2020-10-21","18:00:00",""
"4126919","13.5494","0.0018","16.045","0.002","21.41","0.003","69.764","0.001","72.483","0.001","67.5","0.001","3957.7","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- Cl5 Cs5 O73 S7 Ti12 -","- Cl2 Cs5 O69 S7 Ti12 -","- Cl4 Cs10 O138 S14 Ti24 -","2","1","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.0959","0.0865","","","0.2479","0.2565","","","","","","1.042","","","","has coordinates","204531","2020-10-21","18:00:00",""
"4126920","27.9638","0.0008","31.2596","0.0011","13.6054","0.0004","90","","90","","90","","11893","0.6","173","","173","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 Cl20 Cs3 N6 O66 Ti12 -","- C30 Cl17.5 Cs3 N6 O57.5 Ti12 -","- C120 Cl70 Cs12 N24 O230 Ti48 -","4","1","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.0791","0.0602","","","0.1592","0.1751","","","","","","1.049","","","","has coordinates","204532","2020-10-21","18:00:00",""
"4126921","10.1238","0.001","11.4618","0.0012","21.607","0.002","78.972","0.003","78.823","0.003","87.279","0.003","2414.1","0.4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H59 F6 Fe N3 O8.5 P -","- C49 H59 F6 Fe N3 O8.5 P -","- C98 H118 F12 Fe2 N6 O17 P2 -","2","1","","Cheng, Shao-Chi; Chen, Kai-Jen; Suzaki, Yuji; Tsuchido, Yoshitaka; Kuo, Ting-Shen; Osakada, Kohtaro; Horie, Masaki","Reversible Laser-Induced Bending of Pseudorotaxane Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10998","","","0.71073","MoKα","","0.1446","0.0739","","","0.1068","0.1271","","","","","","1.065","","","","has coordinates","204544","2020-10-21","18:00:00",""
"4126922","12.0619","0.0006","12.0551","0.0007","38.42","0.002","90","","96.062","0.003","90","","5555.3","0.5","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 Br4 F6 Fe N3 O8 P -","- C48 H52 Br4 F6 Fe N3 O8 P -","- C192 H208 Br16 F24 Fe4 N12 O32 P4 -","4","1","","Cheng, Shao-Chi; Chen, Kai-Jen; Suzaki, Yuji; Tsuchido, Yoshitaka; Kuo, Ting-Shen; Osakada, Kohtaro; Horie, Masaki","Reversible Laser-Induced Bending of Pseudorotaxane Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10998","","","0.71073","MoKα","","0.1839","0.066","","","0.1404","0.1676","","","","","","0.928","","","","has coordinates,has disorder","204545","2020-10-21","18:00:00",""
"4126923","10.1921","0.0015","11.4742","0.0014","21.692","0.003","86.353","0.011","85.801","0.011","86.926","0.009","2521.8","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H56 F6 Fe N3 O8 P -","- C48 H56 F6 Fe N3 O8 P -","- C96 H112 F12 Fe2 N6 O16 P2 -","2","1","","Cheng, Shao-Chi; Chen, Kai-Jen; Suzaki, Yuji; Tsuchido, Yoshitaka; Kuo, Ting-Shen; Osakada, Kohtaro; Horie, Masaki","Reversible Laser-Induced Bending of Pseudorotaxane Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10998","","","0.71073","MoKα","","0.2764","0.111","","","0.2316","0.2832","","","","","","0.892","","","","has coordinates,has disorder","204546","2020-10-21","18:00:00",""
"4126924","12.088","0.002","20.287","0.004","20.271","0.004","90","","102.2","0.03","90","","4858.8","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H65 N2 O2 S2 Y -","- C51 H65 N2 O2 S2 Y -","- C204 H260 N8 O8 S8 Y4 -","4","1","","Tian, Haiwen; Hong, Jianquan; Wang, Kai; Del Rosal, Iker; Maron, Laurent; Zhou, Xigeng; Zhang, Lixin","An Unprecedented Reaction Mode of phosphorus in phosphinidene rare-earth complex: a joint experimental-theoretical study.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11032","","","0.71073","MoKα","","0.0697","0.0419","","","0.1013","0.114","","","","","","1.041","","","","has coordinates","204598","2020-10-21","18:00:00",""
"4126925","15.0505","0.0016","15.6538","0.0016","26.496","0.003","78.745","0.002","74.276","0.002","75.352","0.002","5759.5","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H130 N6 P S4 Y3 -","- C104 H130 N6 P S4 Y3 -","- C208 H260 N12 P2 S8 Y6 -","2","1","","Tian, Haiwen; Hong, Jianquan; Wang, Kai; Del Rosal, Iker; Maron, Laurent; Zhou, Xigeng; Zhang, Lixin","An Unprecedented Reaction Mode of phosphorus in phosphinidene rare-earth complex: a joint experimental-theoretical study.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11032","","","0.71073","MoKα","","0.1411","0.0749","","","0.2005","0.2685","","","","","","0.924","","","","has coordinates","204599","2020-10-21","18:00:00",""
"4126926","10.8763","0.0014","22.359","0.003","31.31","0.004","90","","107.442","0.004","90","","7264","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H99 N6 P Y2 -","- C76 H99 N6 P Y2 -","- C304 H396 N24 P4 Y8 -","4","1","","Tian, Haiwen; Hong, Jianquan; Wang, Kai; Del Rosal, Iker; Maron, Laurent; Zhou, Xigeng; Zhang, Lixin","An Unprecedented Reaction Mode of phosphorus in phosphinidene rare-earth complex: a joint experimental-theoretical study.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11032","","","0.71073","MoKα","","0.2059","0.112","","","0.2348","0.2752","","","","","","1.332","","","","has coordinates","204600","2020-10-21","18:00:00",""
"4126927","13.5557","0.0015","15.3382","0.0017","30.529","0.003","85.788","0.002","79.912","0.002","70.459","0.002","5888.7","1.1","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H140 N6 P2 S2 Y3 -","- C119 H140 N6 P2 S2 Y3 -","- C238 H280 N12 P4 S4 Y6 -","2","1","","Tian, Haiwen; Hong, Jianquan; Wang, Kai; Del Rosal, Iker; Maron, Laurent; Zhou, Xigeng; Zhang, Lixin","An Unprecedented Reaction Mode of phosphorus in phosphinidene rare-earth complex: a joint experimental-theoretical study.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11032","","","0.71073","MoKα","","0.1726","0.0912","","","0.2304","0.2952","","","","","","1.086","","","","has coordinates","204601","2020-10-21","18:00:00",""
"4126928","11.8274","0.0015","13.263","0.0018","15.854","0.002","66.952","0.002","81.691","0.002","67.608","0.002","2115.9","0.5","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H49 N2 S2 Y -","- C43 H49 N2 S2 Y -","- C86 H98 N4 S4 Y2 -","2","1","","Tian, Haiwen; Hong, Jianquan; Wang, Kai; Del Rosal, Iker; Maron, Laurent; Zhou, Xigeng; Zhang, Lixin","An Unprecedented Reaction Mode of phosphorus in phosphinidene rare-earth complex: a joint experimental-theoretical study.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11032","","","0.71073","MoKα","","0.1052","0.0673","","","0.1943","0.251","","","","","","1.126","","","","has coordinates","204602","2020-10-21","18:00:00",""
"4126929","15.401","0.006","21.019","0.008","22.18","0.008","104.401","0.006","110.072","0.006","90.263","0.007","6500","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C111 H138 N7 P Y3 -","- C111 H138 N7 P Y3 -","- C222 H276 N14 P2 Y6 -","2","1","","Tian, Haiwen; Hong, Jianquan; Wang, Kai; Del Rosal, Iker; Maron, Laurent; Zhou, Xigeng; Zhang, Lixin","An Unprecedented Reaction Mode of phosphorus in phosphinidene rare-earth complex: a joint experimental-theoretical study.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11032","","","0.71073","MoKα","","0.2006","0.1146","","","0.2724","0.3023","","","","","","1.045","","","","has coordinates","204603","2020-10-21","18:00:00",""
"4126930","16.82","0.02","19.34","0.03","21.81","0.03","93.95","0.03","109.96","0.03","107.14","0.03","6258","15","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H130 N6 O12 P Y3 -","- C108 H130 N6 O12 P Y3 -","- C216 H260 N12 O24 P2 Y6 -","2","1","","Tian, Haiwen; Hong, Jianquan; Wang, Kai; Del Rosal, Iker; Maron, Laurent; Zhou, Xigeng; Zhang, Lixin","An Unprecedented Reaction Mode of phosphorus in phosphinidene rare-earth complex: a joint experimental-theoretical study.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11032","","","0.71073","MoKα","","0.1042","0.0715","","","0.1993","0.2303","","","","","","0.954","","","","has coordinates","204604","2020-10-21","18:00:00",""
"4126931","15.272","0.004","15.635","0.004","26.536","0.006","79.553","0.003","73.921","0.003","76.979","0.003","5884","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H130 Lu3 N6 P S4 -","- C104 H130 Lu3 N6 P S4 -","- C208 H260 Lu6 N12 P2 S8 -","2","1","","Tian, Haiwen; Hong, Jianquan; Wang, Kai; Del Rosal, Iker; Maron, Laurent; Zhou, Xigeng; Zhang, Lixin","An Unprecedented Reaction Mode of phosphorus in phosphinidene rare-earth complex: a joint experimental-theoretical study.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11032","","","0.71073","MoKα","","0.0965","0.0511","","","0.1233","0.1348","","","","","","1.05","","","","has coordinates","204605","2020-10-21","18:00:00",""
"4126932","16.134","0.007","16.74","0.007","23.731","0.01","77.644","0.005","74.669","0.005","69.197","0.005","5727","4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C109 H131 N6 P Y3 -","- C109 H131 N6 P Y3 -","- C218 H262 N12 P2 Y6 -","2","1","","Tian, Haiwen; Hong, Jianquan; Wang, Kai; Del Rosal, Iker; Maron, Laurent; Zhou, Xigeng; Zhang, Lixin","An Unprecedented Reaction Mode of phosphorus in phosphinidene rare-earth complex: a joint experimental-theoretical study.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11032","","","0.71073","MoKα","","0.1781","0.0949","","","0.2323","0.2488","","","","","","1.136","","","","has coordinates","204606","2020-10-21","18:00:00",""
"4126933","19.719","0.002","14.849","0.002","35.106","0.003","90","","90.104","0.005","90","","10279.3","1.9","113","","113","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C61 H64 O10 -","- C61 H54 O10 -","- C488 H432 O80 -","8","1","","Guo, Minjie; Wang, Xuemei; Zhan, Caihong; Demay-Drouhard, Paul; Li, Wenjiao; Du, Ke; Olson, Mark A.; Zuilhof, Han; Sue, Andrew C.-H.","Rim-Differentiated C5-Symmetric Tiara-Pillar[5]arenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10767","","","0.71073","MoKα","","0.0938","0.066","","","0.1634","0.1857","","","","","","1.017","","","","has coordinates,has disorder","204624","2020-10-21","18:00:00",""
"4126934","11.8432","","12.2389","","21.2355","","81.873","","76.172","","64.056","","2685.23","","133","","133","","","","","","","","","3","P -1","-P 1","2","","","","- C61 H65 O10 -","- C61 H74 O10 -","- C122 H148 O20 -","2","1","","Guo, Minjie; Wang, Xuemei; Zhan, Caihong; Demay-Drouhard, Paul; Li, Wenjiao; Du, Ke; Olson, Mark A.; Zuilhof, Han; Sue, Andrew C.-H.","Rim-Differentiated C5-Symmetric Tiara-Pillar[5]arenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10767","","","0.71073","MoKα","","0.106","0.0591","","","0.1492","0.1734","","","","","","1.018","","","","has coordinates","204624","2020-10-21","18:00:00",""
"4126935","12.3445","0.001","20.641","0.0015","23.2546","0.0018","90","","90","","90","","5925.3","0.8","133","","133","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C66 H84 O10 -","- C66 H84 O10 -","- C264 H336 O40 -","4","1","","Guo, Minjie; Wang, Xuemei; Zhan, Caihong; Demay-Drouhard, Paul; Li, Wenjiao; Du, Ke; Olson, Mark A.; Zuilhof, Han; Sue, Andrew C.-H.","Rim-Differentiated C5-Symmetric Tiara-Pillar[5]arenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10767","","","0.71073","MoKα","","0.0662","0.0466","","","0.1113","0.12","","","","","","1.021","","","","has coordinates,has disorder","204624","2020-10-21","18:00:00",""
"4126936","12.2345","0.0013","14.0997","0.0017","16.955","0.002","86.437","0.006","79.558","0.006","78.681","0.006","2819.3","0.6","133","","133","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H63 Br5 O10 -","- C56 H63 Br4.981 O10 -","- C112 H126 Br9.962 O20 -","2","1","","Guo, Minjie; Wang, Xuemei; Zhan, Caihong; Demay-Drouhard, Paul; Li, Wenjiao; Du, Ke; Olson, Mark A.; Zuilhof, Han; Sue, Andrew C.-H.","Rim-Differentiated C5-Symmetric Tiara-Pillar[5]arenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10767","","","0.71073","MoKα","","0.0845","0.0575","","","0.1623","0.1745","","","","","","1.074","","","","has coordinates","204624","2020-10-21","18:00:00",""
"4126937","11.9944","0.001","12.931","0.0013","21.517","0.002","87.544","0.008","76.492","0.006","71.424","0.006","3074.1","0.5","133","","133","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H61 Br5 N2 O10 -","- C59.09 H61 Br4.852 N2 O10 -","- C118.18 H122 Br9.704 N4 O20 -","2","1","","Guo, Minjie; Wang, Xuemei; Zhan, Caihong; Demay-Drouhard, Paul; Li, Wenjiao; Du, Ke; Olson, Mark A.; Zuilhof, Han; Sue, Andrew C.-H.","Rim-Differentiated C5-Symmetric Tiara-Pillar[5]arenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10767","","","0.71073","MoKα","","0.0928","0.0698","","","0.219","0.2293","","","","","","1.124","","","","has coordinates","204624","2020-10-21","18:00:00",""
"4126938","12.0426","0.0017","13.8291","0.0017","19.662","0.002","78.72","0.008","83.606","0.009","78.588","0.007","3138.7","0.7","133","","133","","","","","","","","","3","P -1","-P 1","2","","","","- C70.676 H59 O10 -","- C70.67 H59 O10 -","- C141.34 H118 O20 -","2","1","","Guo, Minjie; Wang, Xuemei; Zhan, Caihong; Demay-Drouhard, Paul; Li, Wenjiao; Du, Ke; Olson, Mark A.; Zuilhof, Han; Sue, Andrew C.-H.","Rim-Differentiated C5-Symmetric Tiara-Pillar[5]arenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10767","","","0.71075","MoKα","","0.1285","0.0923","","","0.2958","0.3221","","","","","","1.1495","","","","has coordinates","204624","2020-10-21","18:00:00",""
"4126939","12.626","0.0003","14.7182","0.0002","17.313","0.0004","77.325","0.0016","80.6606","0.0018","80.012","0.0016","3065.39","0.11","100.01","0.13","100.01","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C55 H65 N15 O10 -","- C55 H65 N15 O10 -","- C110 H130 N30 O20 -","2","1","","Guo, Minjie; Wang, Xuemei; Zhan, Caihong; Demay-Drouhard, Paul; Li, Wenjiao; Du, Ke; Olson, Mark A.; Zuilhof, Han; Sue, Andrew C.-H.","Rim-Differentiated C5-Symmetric Tiara-Pillar[5]arenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10767","","x-ray","1.54178","CuKα","","0.0947","0.0839","","","0.2473","0.2574","","","","","","1.095","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4126940","18.9755","0.0018","12.7943","0.0012","21.464","0.002","90","","98.717","0.002","90","","5150.8","0.8","133","","133","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C61 H50 O10 -","- C61 H50 O10 -","- C244 H200 O40 -","4","1","","Guo, Minjie; Wang, Xuemei; Zhan, Caihong; Demay-Drouhard, Paul; Li, Wenjiao; Du, Ke; Olson, Mark A.; Zuilhof, Han; Sue, Andrew C.-H.","Rim-Differentiated C5-Symmetric Tiara-Pillar[5]arenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10767","","","0.71073","MoKα","","0.0848","0.0684","","","0.1906","0.2039","","","","","","1.036","","","","has coordinates,has disorder","204624","2020-10-21","18:00:00",""
"4126941","8.209","0.005","10.724","0.005","15.454","0.008","77.642","0.014","89.114","0.017","86.724","0.016","1326.8","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H37 N2 O2 P -","- C29 H37 N2 O2 P -","- C58 H74 N4 O4 P2 -","2","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Andrews, Ryan; Falconer, Rosalyn L.; Russell, Christopher A.; Stephan, Douglas W.","A Transient Vinylphosphinidene via a Phosphirene-Phosphinidene Rearrangement.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11791","","","0.71073","MoKα","","0.133","0.0704","","","0.1622","0.1967","","","","","","1.004","","","","has coordinates","204625","2020-10-21","18:00:00",""
"4126942","8.547","0.002","32.301","0.008","10.629","0.003","90","","91.684","0.003","90","","2933.2","1.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32.5 H41 N2 O2 P -","- C32.5 H41 N2 O2 P -","- C130 H164 N8 O8 P4 -","4","2","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Andrews, Ryan; Falconer, Rosalyn L.; Russell, Christopher A.; Stephan, Douglas W.","A Transient Vinylphosphinidene via a Phosphirene-Phosphinidene Rearrangement.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11791","","","0.71073","MoKα","","0.1285","0.0719","","","0.1572","0.1812","","","","","","1.014","","","","has coordinates","204625","2020-10-21","18:00:00",""
"4126943","9.814","0.003","12.14","0.005","17.306","0.006","77.489","0.011","75.254","0.009","85.778","0.01","1946.2","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H45 Cl4 N2 O4 P -","- C42 H45 Cl4 N2 O4 P -","- C84 H90 Cl8 N4 O8 P2 -","2","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Andrews, Ryan; Falconer, Rosalyn L.; Russell, Christopher A.; Stephan, Douglas W.","A Transient Vinylphosphinidene via a Phosphirene-Phosphinidene Rearrangement.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11791","","","0.71073","MoKα","","0.1909","0.0928","","","0.2224","0.2781","","","","","","1.022","","","","has coordinates","204625","2020-10-21","18:00:00",""
"4126944","16.879","0.0018","9.6041","0.001","26.349","0.003","90","","91.212","0.003","90","","4270.4","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H37 Cl8 N2 O6 P -","- C41 H37 Cl8 N2 O6 P -","- C164 H148 Cl32 N8 O24 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Andrews, Ryan; Falconer, Rosalyn L.; Russell, Christopher A.; Stephan, Douglas W.","A Transient Vinylphosphinidene via a Phosphirene-Phosphinidene Rearrangement.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11791","","","0.71073","MoKα","","0.1059","0.0513","","","0.1","0.1203","","","","","","1.009","","","","has coordinates","204625","2020-10-21","18:00:00",""
"4126945","9.7089","0.0018","10.2731","0.0016","15.289","0.003","76.522","0.005","81.575","0.006","78.255","0.005","1444","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H37 Au Cl N2 O2 P -","- C29 H37 Au Cl N2 O2 P -","- C58 H74 Au2 Cl2 N4 O4 P2 -","2","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Andrews, Ryan; Falconer, Rosalyn L.; Russell, Christopher A.; Stephan, Douglas W.","A Transient Vinylphosphinidene via a Phosphirene-Phosphinidene Rearrangement.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11791","","","0.71073","MoKα","","0.0244","0.0211","","","0.0549","0.0562","","","","","","1.086","","","","has coordinates","204625","2020-10-21","18:00:00",""
"4126946","10.688","0.002","14.52","0.004","15.294","0.005","90","","93.664","0.019","90","","2368.6","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Cl3 Ge N P -","- C20 H31 Cl3 Ge N P -","- C80 H124 Cl12 Ge4 N4 P4 -","4","1","","Kundu, Subrata; Sinhababu, Soumen; Luebben, Anna V.; Mondal, Totan; Koley, Debasis; Dittrich, Birger; Roesky, Herbert W.","Reagent for Introducing Base-Stabilized Phosphorus Atoms into Organic and Inorganic Compounds.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11977","","","0.6199","synchrotron","","0.049","0.0486","","","0.1196","0.1203","","","","","","1.045","","","","has coordinates","204634","2020-10-21","18:00:00",""
"4126947","9.4012","0.0003","11.6829","0.0004","26.3727","0.0008","77.436","0.001","80.496","0.001","88.659","0.001","2788.19","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H94 Li2 N2 O4 P2 -","- C56 H94 Li2 N2 O4 P2 -","- C112 H188 Li4 N4 O8 P4 -","2","1","","Kundu, Subrata; Sinhababu, Soumen; Luebben, Anna V.; Mondal, Totan; Koley, Debasis; Dittrich, Birger; Roesky, Herbert W.","Reagent for Introducing Base-Stabilized Phosphorus Atoms into Organic and Inorganic Compounds.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11977","","","0.71073","MoKα","","0.0554","0.0413","","","0.1054","0.1147","","","","","","1.023","","","","has coordinates,has disorder","204635","2020-10-21","18:00:00",""
"4126948","7.8925","0.0005","10.6053","0.0008","18.5694","0.0012","92.744","0.002","90.917","0.002","111.231","0.002","1446.22","0.17","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Br N O6 -","- C13 H14 Br N O6 -","- C52 H56 Br4 N4 O24 -","4","2","","Wu, Yunxiang; Chen, Zhaoqiang; Yang, Yaxi; Zhu, Weiliang; Zhou, Bing","Rh(III)-Catalyzed Redox-Neutral Unsymmetrical C-H Alkylation and Amidation Reactions of N-Phenoxyacetamides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10349","","","0.71073","MoKα","","0.0777","0.0467","","","0.1163","0.1309","","","","","","0.988","","","","has coordinates","204636","2020-10-21","18:00:00",""
"4126949","14.279","0.006","14.958","0.006","28.802","0.012","93.368","0.007","102.082","0.007","103.927","0.007","5800","4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C128 H118 Cu20 O17 -","- C128 H118 Cu20 O17 -","- C256 H236 Cu40 O34 -","2","1","","Cook, Andrew W.; Jones, Zachary R.; Wu, Guang; Scott, Susannah L.; Hayton, Trevor W.","An Organometallic Cu20 Nanocluster: Synthesis, Characterization, Immobilization on Silica, and ""Click"" Chemistry.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10960","","","0.71073","MoKα","","0.2237","0.1191","","","0.249","0.3018","","","","","","1.056","","","","has coordinates","204637","2020-10-21","18:00:00",""
"4126950","6.81","0.03","6.81","0.03","6.81","0.03","90","","90","","90","","316","2","400","","400","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C4 H12 Cl4 Fe N -","- C3.9996 Cl3.9996 Fe N -","- C3.9996 Cl3.9996 Fe N -","1","0.0208333","","Harada, Jun; Yoneyama, Naho; Yokokura, Seiya; Takahashi, Yukihiro; Miura, Atsushi; Kitamura, Noboru; Inabe, Tamotsu","Ferroelectricity and Piezoelectricity in Free-Standing Polycrystalline Films of Plastic Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10539","","","0.71073","MoKα","","0.1905","0.174","","","0.464","0.5132","","","","","","2.166","","","","has coordinates","204638","2020-10-21","18:00:00",""
"4126951","7.218","0.008","9.019","0.009","9.362","0.01","90","","90","","90","","609.5","1.1","330","","330","","","","","","","","","5","A m m 2","A 2 -2","38","","","","- C4 H12 Cl4 Fe N -","- C4 H13 Cl4 Fe N -","- C8 H26 Cl8 Fe2 N2 -","2","0.25","","Harada, Jun; Yoneyama, Naho; Yokokura, Seiya; Takahashi, Yukihiro; Miura, Atsushi; Kitamura, Noboru; Inabe, Tamotsu","Ferroelectricity and Piezoelectricity in Free-Standing Polycrystalline Films of Plastic Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10539","","","0.71073","MoKα","","0.0367","0.0355","","","0.0997","0.1008","","","","","","1.127","","","","has coordinates","204639","2020-10-21","18:00:00",""
"4126952","6.4415","0.0015","13.071","0.003","14.001","0.003","90","","90","","90","","1178.8","0.5","250","","250","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H12 Cl4 Fe N -","- C4 H12 Cl4 Fe N -","- C16 H48 Cl16 Fe4 N4 -","4","0.5","","Harada, Jun; Yoneyama, Naho; Yokokura, Seiya; Takahashi, Yukihiro; Miura, Atsushi; Kitamura, Noboru; Inabe, Tamotsu","Ferroelectricity and Piezoelectricity in Free-Standing Polycrystalline Films of Plastic Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10539","","","0.71073","MoKα","","0.0625","0.0445","","","0.1137","0.1271","","","","","","1.038","","","","has coordinates","204640","2020-10-21","18:00:00",""
"4126953","14.268","0.005","6.442","0.002","6.451","0.002","90","","90","","90","","592.9","0.3","300","","300","","","","","","","","","5","P m a 2","P 2 -2a","28","","","","- C4 H12 Cl4 Fe N -","- C4 H12 Cl4 Fe N -","- C8 H24 Cl8 Fe2 N2 -","2","0.5","","Harada, Jun; Yoneyama, Naho; Yokokura, Seiya; Takahashi, Yukihiro; Miura, Atsushi; Kitamura, Noboru; Inabe, Tamotsu","Ferroelectricity and Piezoelectricity in Free-Standing Polycrystalline Films of Plastic Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10539","","","0.71073","MoKα","","0.0249","0.0246","","","0.0714","0.072","","","","","","1.089","","","","has coordinates,has disorder","204641","2020-10-21","18:00:00",""
"4126954","8.964","0.009","9.618","0.009","14.158","0.013","90","","90","","90","","1221","2","360","","360","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H12 Cl4 Fe N -","- C4 H12 Cl4 Fe N -","- C16 H48 Cl16 Fe4 N4 -","4","0.25","","Harada, Jun; Yoneyama, Naho; Yokokura, Seiya; Takahashi, Yukihiro; Miura, Atsushi; Kitamura, Noboru; Inabe, Tamotsu","Ferroelectricity and Piezoelectricity in Free-Standing Polycrystalline Films of Plastic Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10539","","","0.71073","MoKα","","0.0795","0.0636","","","0.1943","0.2068","","","","","","1.114","","","","has coordinates,has disorder","204642","2020-10-21","18:00:00",""
"4126955","9.2189","0.0002","10.5914","0.0003","22.0654","0.0006","90","","90","","90","","2154.49","0.1","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","JLH-1-029","JLH-1-029","","- C23 H20 Cl2 N2 Ni O2 -","- C23 H20 Cl2 N2 Ni O2 -","- C92 H80 Cl8 N8 Ni4 O8 -","4","1","","Hofstra, Julie L.; Cherney, Alan H.; Ordner, Ciara M.; Reisman, Sarah E.","Synthesis of Enantioenriched Allylic Silanes via Nickel-Catalyzed Reductive Cross-Coupling.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11707","","","0.71073","MoKα","","0.0985","0.0474","","","0.0701","0.0785","","","","","","1.042","","","","has coordinates","204643","2020-10-21","18:00:00",""
"4126956","14.8277","0.0018","15.771","0.002","16.569","0.002","90","","116.546","0.004","90","","3466.1","0.7","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","JLH-5-218","JLH-5-218","","- C71.73 H64.73 Cl8.54 N6.73 Ni3 O6 -","- C71.731 H64.731 Cl8.538 N6.731 Ni3 O6 -","- C143.462 H129.462 Cl17.076 N13.462 Ni6 O12 -","2","1","","Hofstra, Julie L.; Cherney, Alan H.; Ordner, Ciara M.; Reisman, Sarah E.","Synthesis of Enantioenriched Allylic Silanes via Nickel-Catalyzed Reductive Cross-Coupling.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11707","","","0.71073","MoKα","","0.0541","0.0388","","","0.0842","0.0891","","","","","","1.022","","","","has coordinates,has disorder","204644","2020-10-21","18:00:00",""
"4126957","6.408","0.0003","12.5679","0.0005","30.4781","0.0013","90","","90","","90","","2454.56","0.18","270","","270","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","JLH-4-295","JLH-4-295","","- C24 H33 B O2 Si -","- C24 H33 B O2 Si -","- C96 H132 B4 O8 Si4 -","4","1","","Hofstra, Julie L.; Cherney, Alan H.; Ordner, Ciara M.; Reisman, Sarah E.","Synthesis of Enantioenriched Allylic Silanes via Nickel-Catalyzed Reductive Cross-Coupling.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11707","","","0.71073","MoKα","","0.1483","0.0626","","","0.1005","0.1207","","","","","","1.037","","","","has coordinates,has disorder","204645","2020-10-21","18:00:00",""
"4126958","9.4021","0.0017","12.198","0.003","16.984","0.004","73.599","0.008","80.485","0.011","88.031","0.008","1842.7","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H54 Cl Mn N2 O3 -","- C42 H54 Cl Mn N2 O3 -","- C84 H108 Cl2 Mn2 N4 O6 -","2","1","","Hooe, Shelby; Rheingold, Arnold L.; Machan, Charles W.","Electrocatalytic Reduction of Dioxygen to Hydrogen Peroxide by a Molecular Manganese Complex with a Bipyridine-Containing Schiff Base Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09027","","x-ray","0.71073","MoKα","K-L~3~","0.0673","0.0427","","","0.0856","0.0955","","","","","","1.025","","","","has coordinates,has disorder","204657","2020-10-21","18:00:00",""
"4126959","7.0949","0.0004","16.1951","0.0009","16.9526","0.0009","104.009","0.003","92.325","0.003","93.65","0.003","1882.97","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2RAD72","fischer05","","- C49 H32 Br2 S -","- C49 H32 Br2 S -","- C98 H64 Br4 S2 -","2","1","","Durr, Rebecca A.; Haberer, Danny; Lee, Yea-Lee; Blackwell, Raymond; Kalayjian, Alin Miksi; Marangoni, Tomas; Ihm, Jisoon; Louie, Steven G.; Fischer, Felix R.","Orbitally Matched Edge-Doping in Graphene Nanoribbons.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11886","","","0.71073","MoKα","","0.0706","0.052","","","0.1274","0.136","","","","","","1.027","","","","has coordinates","204699","2020-10-21","18:00:00",""
"4126960","7.8289","0.0005","24.8954","0.0018","31.81","0.002","90","","90","","90","","6199.9","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","RAD_OChevron","SVK3_171","","- C42 H24 Br2 O -","- C42 H24 Br2 O -","- C336 H192 Br16 O8 -","8","1","","Durr, Rebecca A.; Haberer, Danny; Lee, Yea-Lee; Blackwell, Raymond; Kalayjian, Alin Miksi; Marangoni, Tomas; Ihm, Jisoon; Louie, Steven G.; Fischer, Felix R.","Orbitally Matched Edge-Doping in Graphene Nanoribbons.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11886","","","0.71073","MoKα","","0.1384","0.0655","","","0.1404","0.1738","","","","","","1.007","","","","has coordinates","204700","2020-10-21","18:00:00",""
"4126961","9.1436","0.0006","13.3703","0.0008","14.1905","0.0008","93.985","0.002","92.921","0.003","94.285","0.003","1723.04","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2RAD_185","fischer08","","- C43 H26 Br2 Cl3 N -","- C43 H26 Br2 Cl3 N -","- C86 H52 Br4 Cl6 N2 -","2","1","","Durr, Rebecca A.; Haberer, Danny; Lee, Yea-Lee; Blackwell, Raymond; Kalayjian, Alin Miksi; Marangoni, Tomas; Ihm, Jisoon; Louie, Steven G.; Fischer, Felix R.","Orbitally Matched Edge-Doping in Graphene Nanoribbons.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11886","","","0.71073","MoKα","","0.0329","0.0272","","","0.0658","0.0683","","","","","","1.038","","","","has coordinates,has disorder","204701","2020-10-21","18:00:00",""
"4126962","25.4435","0.0006","18.6729","0.0004","26.5311","0.0006","90","","103.131","0.002","90","","12275.4","0.5","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C112 H231.1 Ag44 N23 O59 S20 -","- C112 H231.096 Ag44 N23 O59 S20 -","- C224 H462.192 Ag88 N46 O118 S40 -","2","1","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","","0.71073","MoKα","","0.0596","0.0517","","","0.1281","0.1319","","","","","","1.022","","","","has coordinates,has disorder","204702","2020-10-21","18:00:00",""
"4126963","20.56346","0.00016","16.62466","0.00015","20.64665","0.00018","90","","94.2166","0.0008","90","","7039.17","0.1","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C89 H171 Ag24 N16 O35 S10 -","- C89 H171 Ag24 N16 O35 S10 -","- C178 H342 Ag48 N32 O70 S20 -","2","1","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","x-ray","1.54184","CuKα","","0.0477","0.0427","","","0.1141","0.1169","","","","","","1.073","","","","has coordinates,has disorder","204703","2020-10-21","18:00:00",""
"4126964","12.7881","0.0006","19.0112","0.0009","29.1847","0.0014","90","","101.212","0.0015","90","","6959.9","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73 H150.72 Ag23 N11 O28 S10 -","- C73 H150.72 Ag23 N11 O28 S10 -","- C146 H301.44 Ag46 N22 O56 S20 -","2","1","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","","0.71073","MoKα","","0.0767","0.0463","","","0.1037","0.116","","","","","","1.027","","","","has coordinates,has disorder","204704","2020-10-21","18:00:00",""
"4126965","20.554","0.0003","16.6389","0.0002","20.6842","0.0002","90","","94.4709","0.001","90","","7052.39","0.15","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C89 H170 Ag24 N16 O35 S10 -","- C89 H170 Ag24 N16 O35 S10 -","- C178 H340 Ag48 N32 O70 S20 -","2","1","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","x-ray","1.54184","CuKα","","0.0514","0.0439","","","0.1282","0.132","","","","","","1.143","","","","has coordinates,has disorder","204705","2020-10-21","18:00:00",""
"4126966","15.2883","0.0004","16.3501","0.0004","16.6836","0.0004","77.024","0.002","87.2409","0.0019","89.331","0.002","4059.11","0.18","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C139 H181 Ag20 Fe8 N5 O21 S10 -","- C139 H181 Ag20 Fe8 N5 O21 S10 -","- C139 H181 Ag20 Fe8 N5 O21 S10 -","1","0.5","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","x-ray","1.54184","CuKα","","0.0602","0.0559","","","0.1444","0.1473","","","","","","1.014","","","","has coordinates,has disorder","204706","2020-10-21","18:00:00",""
"4126967","15.9602","0.0003","18.3264","0.0005","19.1435","0.0005","77.201","0.002","65.553","0.002","87.6086","0.0017","4962.8","0.2","200","10","200","10","","","","","","","","6","P -1","-P 1","2","","","","- C161 H166 Ag20 N12 O35 S10 -","- C161 H166 Ag20 N12 O35 S10 -","- C161 H166 Ag20 N12 O35 S10 -","1","0.5","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","","1.54184","CuKα","","0.0804","0.0697","","","0.1909","0.1989","","","","","","1.012","","","","has coordinates","204707","2020-10-21","18:00:00",""
"4126968","24.3829","0.0002","16.30723","0.00014","31.0829","0.0003","90","","108.553","0.0011","90","","11716.8","0.19","200","0.1","200","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C57 H124 Ag20 N12 O31 S10 -","- C57 H124 Ag20 N12 O31 S10 -","- C228 H496 Ag80 N48 O124 S40 -","4","0.5","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","","1.54184","CuKα","","0.1067","0.1013","","","0.3488","0.3631","","","","","","1.025","","","","has coordinates,has disorder","204708","2020-10-21","18:00:00",""
"4126969","25.3829","0.0004","18.6898","0.0003","26.4246","0.0004","90","","103.061","0.0015","90","","12211.5","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C112 H234 Ag44 N23 O58.5 S20 -","- C112 H234 Ag44 N23 O58.5 S20 -","- C224 H468 Ag88 N46 O117 S40 -","2","1","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","","0.71073","MoKα","","0.058","0.0474","","","0.1217","0.1267","","","","","","1.063","","","","has coordinates,has disorder","204709","2020-10-21","18:00:00",""
"4126970","12.7544","0.0006","18.96","0.001","29.1922","0.0015","90","","101.074","0.0016","90","","6927.9","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73 H147.7 Ag23 N11 O28 S10 -","- C73 H147.717 Ag23 N11 O28 S10 -","- C146 H295.433 Ag46 N22 O56 S20 -","2","1","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","","0.71073","MoKα","","0.1094","0.0564","","","0.1317","0.1446","","","","","","1.046","","","","has coordinates,has disorder","204710","2020-10-21","18:00:00",""
"4126971","13.3254","0.0002","17.0097","0.0003","17.0989","0.0003","68.069","0.002","76.262","0.002","76.778","0.002","3449.91","0.11","220","0.1","220","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C109 H154 Ag20 N4 O21 S10 -","- C109 H154 Ag20 N4 O21 S10 -","- C109 H154 Ag20 N4 O21 S10 -","1","0.5","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","x-ray","1.54184","CuKα","","0.0821","0.0798","","","0.2014","0.2024","","","","","","1.136","","","","has coordinates,has disorder","204711","2020-10-21","18:00:00",""
"4126972","13.229","0.004","15.391","0.004","15.919","0.005","90","","108.822","0.004","90","","3067.9","1.6","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 B2 Cl N16 O2 Ru2 -","- C23 H26 B2 Cl N16 O2 Ru2 -","- C92 H104 B8 Cl4 N64 O8 Ru8 -","4","1","","Arikawa, Yasuhiro; Otsubo, Yuji; Fujino, Hiroki; Horiuchi, Shinnosuke; Sakuda, Eri; Umakoshi, Keisuke","Nitrite Reduction Cycle on a Dinuclear Ruthenium Complex Producing Ammonia.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12020","","","0.71075","MoKα","","0.1355","0.0812","","","0.0993","0.1186","","","","","","1.113","","","","has coordinates","204712","2020-10-21","18:00:00",""
"4126973","12.4007","0.0017","13.4241","0.0019","14.8306","0.0019","68.257","0.005","81.592","0.007","85.433","0.007","2267.7","0.5","93","","93","","","","","","","","","8","P -1","-P 1","2","","","","- C28 H31 B4 Cl F8 N17 O2 Ru2 -","- C28 H31 B4 Cl F8 N17 O2 Ru2 -","- C56 H62 B8 Cl2 F16 N34 O4 Ru4 -","2","1","","Arikawa, Yasuhiro; Otsubo, Yuji; Fujino, Hiroki; Horiuchi, Shinnosuke; Sakuda, Eri; Umakoshi, Keisuke","Nitrite Reduction Cycle on a Dinuclear Ruthenium Complex Producing Ammonia.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12020","","","0.71075","MoKα","","0.0444","0.0327","","","0.0809","0.0857","","","","","","1.048","","","","has coordinates","204712","2020-10-21","18:00:00",""
"4126974","10.964","0.003","12.75","0.004","14.685","0.004","80.982","0.011","76.4919","0.001","83.156","0.011","1964.1","1","93","","93","","","","","","","","","8","P -1","-P 1","2","","","","- C27 H41 B3 Cl F4 N15 O3 Ru2 -","- C27 H41 B3 Cl F4 N15 O3 Ru2 -","- C54 H82 B6 Cl2 F8 N30 O6 Ru4 -","2","1","","Arikawa, Yasuhiro; Otsubo, Yuji; Fujino, Hiroki; Horiuchi, Shinnosuke; Sakuda, Eri; Umakoshi, Keisuke","Nitrite Reduction Cycle on a Dinuclear Ruthenium Complex Producing Ammonia.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12020","","","0.71075","MoKα","","0.1061","0.0636","","","0.101","0.1246","","","","","","1.089","","","","has coordinates","204712","2020-10-21","18:00:00",""
"4126975","8.5123","0.0015","26.917","0.005","14.967","0.003","90","","91.317","0.002","90","","3428.4","1.1","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 B3 Cl F4 N17 Ru2 -","- C25 H29 B3 Cl F4 N17 Ru2 -","- C100 H116 B12 Cl4 F16 N68 Ru8 -","4","1","","Arikawa, Yasuhiro; Otsubo, Yuji; Fujino, Hiroki; Horiuchi, Shinnosuke; Sakuda, Eri; Umakoshi, Keisuke","Nitrite Reduction Cycle on a Dinuclear Ruthenium Complex Producing Ammonia.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12020","","","0.71075","MoKα","","0.0589","0.0455","","","0.0786","0.0841","","","","","","1.098","","","","has coordinates","204712","2020-10-21","18:00:00",""
"4126976","11.246","0.0005","10.5505","0.0005","13.9596","0.0007","90","","100.824","0.0009","90","","1626.85","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","sxx-2-29","","","- C15 H22 Br N O3 -","- C15 H22 Br N O3 -","- C60 H88 Br4 N4 O12 -","4","2","","Li, Kangnan; Shao, Xinxin; Tseng, Luke; Malcolmson, Steven J.","2-Azadienes as Reagents for Preparing Chiral Amines: Synthesis of 1,2-Amino Tertiary Alcohols by Cu-Catalyzed Enantioselective Reductive Couplings with Ketones.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12213","","","0.71073","MoKα","","0.0352","0.0274","","","0.0571","0.0592","","","","","","1.012","","","","has coordinates","204758","2020-10-21","18:00:00",""
"4126977","7.3084","0.0004","10.355","0.0005","11.3185","0.0006","72.568","0.003","71.515","0.003","81.227","0.003","773.5","0.07","173","2","173","2","","","","","","","synthetic","6","P -1","-P 1","2","potassium bis(quinolin-8-olate)copper(I)","","","- C18 H12 Cu K N2 O2 -","- C18 H12 Cu K N2 O2 -","- C36 H24 Cu2 K2 N4 O4 -","2","1","","Giri, Ramesh; Brusoe, Andrew; Troshin, Konstantin; Wang, Justin Y.; Font, Marc; Hartwig, John F.","Mechanism of the Ullmann Biaryl Ether Synthesis Catalyzed by Complexes of Anionic Ligands. Evidence for the Reaction of Iodoarenes With Ligated Anionic CuI Intermediates.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11853","","","0.71073","MoKα","","0.0315","0.0255","","","0.0635","0.0661","","","","","","1.068","","","","has coordinates","204759","2020-10-21","18:00:00",""
"4126978","28.2361","0.0008","17.0454","0.0005","25.886","0.0011","90","","122.295","0.001","90","","10531.5","0.6","173","2","173","2","","","","","","","synthetic","5","C 1 2/c 1","-C 2yc","15","potassium bis(2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)copper(I)","","","- C93 H164 Cu4 K4 O16 -","- C88 H152 Cu4 K4 O16 -","- C352 H608 Cu16 K16 O64 -","4","0.5","","Giri, Ramesh; Brusoe, Andrew; Troshin, Konstantin; Wang, Justin Y.; Font, Marc; Hartwig, John F.","Mechanism of the Ullmann Biaryl Ether Synthesis Catalyzed by Complexes of Anionic Ligands. Evidence for the Reaction of Iodoarenes With Ligated Anionic CuI Intermediates.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11853","","","1.54178","CuKα","","0.0566","0.0449","","","0.1189","0.1251","","","","","","1.036","","","","has coordinates,has disorder","204760","2020-10-21","18:00:00",""
"4126979","7.9947","0.0004","13.5976","0.0005","14.9636","0.0007","65.731","0.003","82.036","0.004","82.58","0.004","1463.91","0.12","133","2","133","2","","","","","","","","5","P -1","-P 1","2","{(μ-bipy)[FeL5i(MeOH)]2.2 MeOH}","","","- C62 H64 Fe2 N10 O16 -","- C62 H64 Fe2 N10 O16 -","- C62 H64 Fe2 N10 O16 -","1","0.5","","Lochenie, Charles; Schötz, Konstantin; Panzer, Fabian; Kurz, Hannah; Maier, Bernadette; Puchtler, Florian; Agarwal, Seema; Köhler, Anna; Weber, Birgit","Spin crossover iron(II) coordination polymer with fluorescent properties: correlation between emission properties and spin state.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10571","","","0.71069","MoKα","","0.0667","0.0558","","","0.1532","0.1614","","","","","","0.968","","","","has coordinates","204761","2020-10-21","18:00:00",""
"4126980","14.77","0.0001","14.9334","0.0001","14.9133","0.0001","90","","104.382","0.0004","90","","3186.29","0.04","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H29 N5 S2 Zn -","- C39 H29 N5 S2 Zn -","- C156 H116 N20 S8 Zn4 -","4","1","","Leary, Edmund; Roche, Cécile; Jiang, Hua-Wei; Grace, Iain; González, M Teresa; Rubio-Bollinger, Gabino; Romero-Muñiz, Carlos; Xiong, Yaoyao; Al-Galiby, Qusiy; Noori, Mohammed; Lebedeva, Maria A.; Porfyrakis, Kyriakos; Agrait, Nicolás; Hodgson, Andrew; Higgins, Simon J.; Lambert, Colin J.; Anderson, Harry L.; Nichols, Richard J.","Detecting Mechanochemical Atropisomerization within an STM Break Junction.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b10542","","","0.71073","MoKα","","0.0432","0.0382","","0.0985","0.0942","0.0985","","","","","","0.9237","","","","has coordinates","204762","2020-10-21","18:00:00",""
"4126981","9.4418","0.0003","9.9431","0.0002","10.0828","0.0002","86.5863","0.0008","63.7872","0.0008","75.1739","0.0009","819.4","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 B N O2 -","- C18 H24 B N O2 -","- C36 H48 B2 N2 O4 -","2","1","","Rao, Bin; Chong, Che Chang; Kinjo, Rei","Metal-Free Regio- and Chemoselective Hydroboration of Pyridines Catalyzed by 1,3,2-Diazaphosphenium Triflate","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09754","","","0.71073","MoKα","","0.0618","0.0467","","","0.1139","0.1264","","","","","","1.051","","","","has coordinates","204763","2020-10-21","18:00:00",""
"4126982","14.3752","0.0009","8.7993","0.0006","15.8616","0.0012","90","","111.282","0.002","90","","1869.5","0.2","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C15 H22 F3 N2 O3 P S -","- C15 H22 F3 N2 O3 P S -","- C60 H88 F12 N8 O12 P4 S4 -","4","2","","Rao, Bin; Chong, Che Chang; Kinjo, Rei","Metal-Free Regio- and Chemoselective Hydroboration of Pyridines Catalyzed by 1,3,2-Diazaphosphenium Triflate","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09754","","","0.71073","MoKα","","0.1572","0.071","","","0.1052","0.132","","","","","","1.035","","","","has coordinates","204764","2020-10-21","18:00:00",""
"4126983","24.0142","0.0012","6.6165","0.0003","12.7599","0.0007","90","","90","","90","","2027.42","0.18","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C17 H22 B F3 N2 O5 S -","- C17 H22 B F3 N2 O5 S -","- C68 H88 B4 F12 N8 O20 S4 -","4","1","","Rao, Bin; Chong, Che Chang; Kinjo, Rei","Metal-Free Regio- and Chemoselective Hydroboration of Pyridines Catalyzed by 1,3,2-Diazaphosphenium Triflate","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09754","","","0.71073","MoKα","","0.113","0.0656","","","0.1008","0.1189","","","","","","1.075","","","","has coordinates","204765","2020-10-21","18:00:00",""
"4126984","9.6684","0.0004","10.1429","0.0004","14.6746","0.0007","103.701","0.0019","104.597","0.002","94.841","0.002","1337.02","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H16 B Cl2 N O2 -","- C11 H16 B Cl2 N O2 -","- C44 H64 B4 Cl8 N4 O8 -","4","2","","Rao, Bin; Chong, Che Chang; Kinjo, Rei","Metal-Free Regio- and Chemoselective Hydroboration of Pyridines Catalyzed by 1,3,2-Diazaphosphenium Triflate","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09754","","","0.71073","MoKα","","0.1249","0.095","","","0.1882","0.2017","","","","","","1.276","","","","has coordinates","204766","2020-10-21","18:00:00",""
"4126985","16.091","0.002","52.777","0.008","19.124","0.003","90","","113.774","0.003","90","","14863","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C148 H126 Co N6 O18 P14 -","- C148 H126 Co N6 O18 P14 -","- C592 H504 Co4 N24 O72 P56 -","4","1","","Stauber, Julia M.; Zhang, Shiyu; Gvozdik, Nataliya; Jiang, Yanfeng; Avena, Laura; Stevenson, Keith J.; Cummins, Christopher C.","Cobalt and Vanadium Trimetaphosphate Polyanions: Synthesis, Characterization, and Electrochemical Evaluation for Non-aqueous Redox-Flow Battery Applications.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b08751","","","0.71073","MoKα","","0.068","0.052","","","0.1113","0.1172","","","","","","1.142","","","","has coordinates,has disorder","204767","2020-10-21","18:00:00",""
"4126986","14.912","0.009","10.648","0.006","17.003","0.012","90","","115.15","0.03","90","","2444","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H82 B2 Li2 N2 O2 -","- C52 H82 B2 Li2 N2 O2 -","- C104 H164 B4 Li4 N4 O4 -","2","0.5","","Böhnke, Julian; Braunschweig, Holger; Jiménez-Halla, J Oscar C; Krummenacher, Ivo; Stennett, Tom E.","Half-Sandwich Complexes of an Extremely Electron-Donating, Redox-Active η6-Diborabenzene Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12394","","","0.71073","MoKα","","0.0845","0.0559","","","0.1133","0.126","","","","","","1.066","","","","has coordinates","204936","2020-10-21","18:00:00",""
"4126987","16.427","0.006","22.131","0.007","27.116","0.008","90","","90","","90","","9858","6","101","2","101","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53 H72 B2 N2 O3 W -","- C53 H72 B2 N2 O3 W -","- C424 H576 B16 N16 O24 W8 -","8","1","","Böhnke, Julian; Braunschweig, Holger; Jiménez-Halla, J Oscar C; Krummenacher, Ivo; Stennett, Tom E.","Half-Sandwich Complexes of an Extremely Electron-Donating, Redox-Active η6-Diborabenzene Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12394","","","0.71073","MoKα","","0.0365","0.0226","","","0.0439","0.0485","","","","","","1.034","","","","has coordinates,has disorder","204937","2020-10-21","18:00:00",""
"4126988","10.4746","0.0005","14.3447","0.0009","20.4846","0.0013","74.006","0.003","88.671","0.002","77.596","0.002","2887.6","0.3","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C122 H176 B4 Li2 N4 O10 W2 -","- C122 H176 B4 Li2 N4 O10 W2 -","- C122 H176 B4 Li2 N4 O10 W2 -","1","0.5","","Böhnke, Julian; Braunschweig, Holger; Jiménez-Halla, J Oscar C; Krummenacher, Ivo; Stennett, Tom E.","Half-Sandwich Complexes of an Extremely Electron-Donating, Redox-Active η6-Diborabenzene Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12394","","","0.71073","MoKα","","0.053","0.0388","","","0.077","0.0797","","","","","","1.074","","","","has coordinates,has disorder","204938","2020-10-21","18:00:00",""
"4126989","16.431","0.009","22.145","0.012","27.09","0.015","90","","90","","90","","9857","9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53 H72 B2 Mo N2 O3 -","- C53 H72 B2 Mo N2 O3 -","- C424 H576 B16 Mo8 N16 O24 -","8","1","","Böhnke, Julian; Braunschweig, Holger; Jiménez-Halla, J Oscar C; Krummenacher, Ivo; Stennett, Tom E.","Half-Sandwich Complexes of an Extremely Electron-Donating, Redox-Active η6-Diborabenzene Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12394","","","0.71073","MoKα","","0.064","0.0361","","","0.0698","0.0796","","","","","","1.019","","","","has coordinates,has disorder","204939","2020-10-21","18:00:00",""
"4126990","16.205","0.006","22.446","0.005","27.356","0.012","90","","90","","90","","9950","6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H74 B2 Cr N2 O3 -","- C54 H74 B2 Cr N2 O3 -","- C432 H592 B16 Cr8 N16 O24 -","8","1","","Böhnke, Julian; Braunschweig, Holger; Jiménez-Halla, J Oscar C; Krummenacher, Ivo; Stennett, Tom E.","Half-Sandwich Complexes of an Extremely Electron-Donating, Redox-Active η6-Diborabenzene Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12394","","","0.71073","MoKα","","0.0464","0.0365","","","0.0926","0.0989","","","","","","1.055","","","","has coordinates","204940","2020-10-21","18:00:00",""
"4126991","20.988","0.003","11.0644","0.0013","15.974","0.002","90","","104.59","0.003","90","","3589.9","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 F N O5 -","- C17 H22 F N O5 -","- C136 H176 F8 N8 O40 -","8","1","","Meng, Guangrong; Shi, Shicheng; Lalancette, Roger A.; Szostak, Roman; Szostak, Michal","Reversible Twisting of Primary Amides via Ground State N-C(O) Destabilization: Highly Twisted Rotationally-Inverted Acyclic Amides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11309","","","1.54178","CuKα","","0.0368","0.0337","","","0.0874","0.0896","","","","","","1.047","","","","has coordinates","204941","2020-10-21","18:00:00",""
"4126992","8.68","0.002","11.203","0.002","10.273","0.002","90","0.03","110.19","0.03","90","0.03","937.6","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 N O6 -","- C18 H25 N O6 -","- C36 H50 N2 O12 -","2","1","","Meng, Guangrong; Shi, Shicheng; Lalancette, Roger A.; Szostak, Roman; Szostak, Michal","Reversible Twisting of Primary Amides via Ground State N-C(O) Destabilization: Highly Twisted Rotationally-Inverted Acyclic Amides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11309","","","1.54178","CuKα","","0.0229","0.0227","","","0.0575","0.0576","","","","","","1.05","","","","has coordinates","204942","2020-10-21","18:00:00",""
"4126993","10.1592","0.0007","11.0638","0.0008","10.3109","0.0007","90","","113.208","0.004","90","","1065.16","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H28 N2 O5 -","- C19 H28 N2 O5 -","- C38 H56 N4 O10 -","2","1","","Meng, Guangrong; Shi, Shicheng; Lalancette, Roger A.; Szostak, Roman; Szostak, Michal","Reversible Twisting of Primary Amides via Ground State N-C(O) Destabilization: Highly Twisted Rotationally-Inverted Acyclic Amides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11309","","","1.54178","CuKα","","0.0394","0.0376","","","0.1004","0.1031","","","","","","1.071","","","","has coordinates","204943","2020-10-21","18:00:00",""
"4126994","16.7598","0.0003","16.5657","0.0003","12.5706","0.0002","90","","90","","90","","3490.07","0.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H23 N O5 -","- C17 H23 N O5 -","- C136 H184 N8 O40 -","8","1","","Meng, Guangrong; Shi, Shicheng; Lalancette, Roger A.; Szostak, Roman; Szostak, Michal","Reversible Twisting of Primary Amides via Ground State N-C(O) Destabilization: Highly Twisted Rotationally-Inverted Acyclic Amides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11309","","","1.54178","CuKα","","0.04","0.0373","","","0.0936","0.0956","","","","","","1.083","","","","has coordinates","204944","2020-10-21","18:00:00",""
"4126995","11.7945","0.0003","12.5579","0.0003","12.9994","0.0003","91.316","0.001","101.162","0.001","102.764","0.001","1837.94","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C72 H88 N8 O20 -","4","2","","Meng, Guangrong; Shi, Shicheng; Lalancette, Roger A.; Szostak, Roman; Szostak, Michal","Reversible Twisting of Primary Amides via Ground State N-C(O) Destabilization: Highly Twisted Rotationally-Inverted Acyclic Amides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11309","","","1.54178","CuKα","","0.0347","0.0327","","","0.0873","0.089","","","","","","1.023","","","","has coordinates","204945","2020-10-21","18:00:00",""
"4126996","15.6602","0.0003","17.6075","0.0002","28.2455","0.0005","94.333","0.001","103.992","0.002","101.553","0.001","7340.9","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","trans-Dichlorobis{[5,8,11,14,17-penta(tert-butyl)hexa-peri- hexabenzocoronen-2-yl]diphenylphosphine}palladium(II)","","- C154 H140 Cl20 P2 Pd -","- C154 H140 Cl20 P2 Pd -","- C308 H280 Cl40 P4 Pd2 -","2","1","","Smith, Jordan Neale; Hook, James M.; Lucas, Nigel T.","Superphenylphosphines: Nanographene-based Ligands That Control Coordination Geometry and Drive Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12251","","","1.54184","CuKα","","0.0916","0.0869","","","0.2357","0.2401","","","","","","1.053","","","","has coordinates,has disorder","204998","2020-10-21","18:00:00",""
"4126997","17.3586","0.0003","23.9116","0.0004","31.8705","0.0007","76.185","0.002","76.758","0.002","82.901","0.002","12471.1","0.4","100","2","100","0.1","","","","","","","","5","P -1","-P 1","2","","trans-Dichlorobis{bis[5,8,11,14,17-penta(tert-butyl)hexa-peri- hexabenzocoronen-2-yl]phenylphosphine}palladium(II)","","- C269 H255 Cl11 P2 Pd -","- C269 H255 Cl11 P2 Pd -","- C538 H510 Cl22 P4 Pd2 -","2","1","","Smith, Jordan Neale; Hook, James M.; Lucas, Nigel T.","Superphenylphosphines: Nanographene-based Ligands That Control Coordination Geometry and Drive Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12251","","","1.54184","CuKα","","0.148","0.0911","","","0.2465","0.2887","","","","","","1.026","","","","has coordinates,has disorder","204998","2020-10-21","18:00:00",""
"4126998","25.0905","0.0015","25.279","0.002","37.6216","0.0016","70.558","0.006","89.426","0.004","64.192","0.007","20000","3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","trans-Dichlorobis{tris[5,8,11,14,17-penta(tert-butyl)hexa-peri- hexabenzocoronen-2-yl]phosphine}palladium(II)","","- C372 H342 Cl2 P2 Pd -","- C372 H342 Cl2 P2 Pd -","- C744 H684 Cl4 P4 Pd2 -","2","1","","Smith, Jordan Neale; Hook, James M.; Lucas, Nigel T.","Superphenylphosphines: Nanographene-based Ligands That Control Coordination Geometry and Drive Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12251","","","1.54184","CuKα","","0.204","0.1012","","","0.2621","0.3294","","","","","","0.958","","","","has coordinates,has disorder","204998","2020-10-21","18:00:00",""
"4126999","12.5663","0.0003","17.6053","0.0004","34.2367","0.0005","88.88","0.002","84.568","0.002","80.258","0.002","7431.5","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","anti-Di-μ-chlorodichloro{[5,8,11,14,17-penta(tert-butyl)hexa-peri- hexabenzocoronen-2-yl]diphenylphosphine}dipalladium(II)","","- C151 H137 Cl13 P2 Pd2 -","- C151 H137 Cl13 P2 Pd2 -","- C302 H274 Cl26 P4 Pd4 -","2","1","","Smith, Jordan Neale; Hook, James M.; Lucas, Nigel T.","Superphenylphosphines: Nanographene-based Ligands That Control Coordination Geometry and Drive Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12251","","","1.54184","CuKα","","0.0708","0.0577","","","0.1536","0.1664","","","","","","1.043","","","","has coordinates","204998","2020-10-21","18:00:00",""
"4127000","18.5359","0.0005","21.4911","0.0007","30.9657","0.0011","90","","105.024","0.003","90","","11913.7","0.7","100","0.1","100","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","syn-Di-μ-chlorodichloro{bis[5,8,11,14,17-penta(tert-butyl)hexa-peri- hexabenzocoronen-2-yl]phenylphosphine}dipalladium(II)","","- C262 H240 Cl10 P2 Pd2 -","- C262 H240 Cl10 P2 Pd2 -","- C524 H480 Cl20 P4 Pd4 -","2","0.5","","Smith, Jordan Neale; Hook, James M.; Lucas, Nigel T.","Superphenylphosphines: Nanographene-based Ligands That Control Coordination Geometry and Drive Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12251","","","1.54184","CuKα","","0.1712","0.1185","","","0.314","0.3496","","","","","","1.045","","","","has coordinates,has disorder","204998","2020-10-21","18:00:00",""
"4127001","21.8639","0.0006","32.7717","0.0007","39.9807","0.0008","80.231","0.002","78.402","0.002","81.022","0.002","27433.5","1.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","[5,8,11,14,17-Penta(tert-butyl)hexa-peri-hexabenzocoronen-2-yl]diphenyl phosphine oxide","","- C620 H568 O8 P8 -","- C620 H568 O8 P8 -","- C1240 H1136 O16 P16 -","2","1","","Smith, Jordan Neale; Hook, James M.; Lucas, Nigel T.","Superphenylphosphines: Nanographene-based Ligands That Control Coordination Geometry and Drive Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12251","","","1.54184","CuKα","","0.189","0.122","","","0.3134","0.3792","","","","","","1.021","","","","has coordinates,has disorder","204999","2020-10-21","18:00:00",""
"4127002","13.7498","0.001","20.5393","0.0013","24.0662","0.0015","112.906","0.006","94.953","0.006","96.491","0.006","6157.1","0.8","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","Bis[5,8,11,14,17-penta(tert-butyl)hexa-peri- hexabenzocoronen-2-yl]phenylphosphine oxide","","- C131 H120 Cl3 O P -","- C131 H120 Cl3 O P -","- C262 H240 Cl6 O2 P2 -","2","1","","Smith, Jordan Neale; Hook, James M.; Lucas, Nigel T.","Superphenylphosphines: Nanographene-based Ligands That Control Coordination Geometry and Drive Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12251","","","1.54184","CuKα","","0.1807","0.1065","","","0.2927","0.3619","","","","","","0.97","","","","has coordinates,has disorder","204999","2020-10-21","18:00:00",""
"4127003","19.2816","0.0007","21.2439","0.0007","22.5232","0.0009","80.902","0.003","72.974","0.003","80.548","0.003","8642.3","0.6","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","Tris[5,8,11,14,17-penta(tert-butyl)hexa-peri- hexabenzocoronen-2-yl]phosphine oxide","","- C186 H171 O P -","- C186 H171 O P -","- C372 H342 O2 P2 -","2","1","","Smith, Jordan Neale; Hook, James M.; Lucas, Nigel T.","Superphenylphosphines: Nanographene-based Ligands That Control Coordination Geometry and Drive Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12251","","","1.54184","CuKα","","0.1926","0.1151","","","0.3285","0.4129","","","","","","1.121","","","","has coordinates,has disorder","204999","2020-10-21","18:00:00",""
"4127004","17.8443","0.0002","17.9356","0.0002","20.623","0.0003","90","","102.056","0.001","90","","6454.78","0.14","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[5,8,11,14,17-Penta(tert-butyl)hexa-peri- hexabenzocoronen-2-yl]diphenylphosphine borane","","- C76 H72 B Cl6 P -","- C76 H72 B Cl6 P -","- C304 H288 B4 Cl24 P4 -","4","1","","Smith, Jordan Neale; Hook, James M.; Lucas, Nigel T.","Superphenylphosphines: Nanographene-based Ligands That Control Coordination Geometry and Drive Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12251","","","1.54184","CuKα","","0.0768","0.0719","","","0.2065","0.2124","","","","","","1.026","","","","has coordinates,has disorder","204999","2020-10-21","18:00:00",""
"4127005","9.58533","0.00017","13.1682","0.0002","19.2463","0.0003","90","","90","","90","","2429.3","0.07","175","","175","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 B N O4 P -","- C24 H31 B N O4 P -","- C96 H124 B4 N4 O16 P4 -","4","1","","Arribat, Mathieu; Rémond, Emmanuelle; Clément, Sébastien; Lee, Arie Van Der; Cavelier, Florine","Phospholyl(borane) amino acids and peptides: Stereoselective synthesis and fluorescent properties with large Stokes shift.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10954","","","1.54184","CuKα","","0.0581","0.0552","","0.0651","0.0609","0.0609","","","","","","1.0402","","","","has coordinates","205000","2020-10-21","18:00:00",""
"4127006","8.1493","0.0003","11.61","0.0004","16.2904","0.0006","85.361","0.0012","89.388","0.0012","85.8876","0.0014","1532.27","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","2","","Gan, Pei; Pitzen, Jennifer; Qu, Pei; Snyder, Scott A.","Total Synthesis of the Caged Indole Alkaloid Arboridinine Enabled by aza-Prins and Metal-Mediated Cyclizations.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b07724","","","1.54178","CuKα","","0.0483","0.0398","","","0.1002","0.1095","","","","","","1.045","","","","has coordinates","205001","2020-10-21","18:00:00",""
"4127007","10.7605","0.0005","11.0783","0.0004","12.4037","0.0005","90","","93.395","0.001","90","","1476.03","0.11","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Cl N2 O -","- C18 H19 Cl N2 O -","- C72 H76 Cl4 N8 O4 -","4","1","","Gan, Pei; Pitzen, Jennifer; Qu, Pei; Snyder, Scott A.","Total Synthesis of the Caged Indole Alkaloid Arboridinine Enabled by aza-Prins and Metal-Mediated Cyclizations.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b07724","","","0.71073","MoKα","","0.054","0.0365","","","0.0817","0.0886","","","","","","1.041","","","","has coordinates","205002","2020-10-21","18:00:00",""
"4127008","9.405","0.007","11.044","0.009","15.445","0.011","85.234","0.017","74.48","0.02","84.902","0.016","1537","2","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H22 F36 N6 O12 Y2 -","- C49 H22 F36 N6 O12 Y2 -","- C49 H22 F36 N6 O12 Y2 -","1","0.5","","Dolinar, Brian S.; Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; James, Tia'Asia; Dunbar, Kim R.","Lanthanide Triangles Supported by Radical Bridging Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12495","","x-ray","0.71073","MoKα","K-L~3~","0.0382","0.0296","","","0.0704","0.0741","","","","","","1.064","","","","has coordinates,has disorder","205003","2020-10-21","18:00:00",""
"4127009","9.416","0.0004","11.0617","0.0005","15.4355","0.0007","85.173","0.002","74.554","0.002","84.954","0.002","1540.55","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H22 Dy2 F36 N6 O12 -","- C49 H22 Dy2 F36 N6 O12 -","- C49 H22 Dy2 F36 N6 O12 -","1","0.5","","Dolinar, Brian S.; Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; James, Tia'Asia; Dunbar, Kim R.","Lanthanide Triangles Supported by Radical Bridging Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12495","","x-ray","1.54178","CuKα","K-L~3~","0.0204","0.0195","","","0.0494","0.0499","","","","","","1.046","","","","has coordinates,has disorder","205003","2020-10-21","18:00:00",""
"4127010","14.8723","0.0004","16.5748","0.0004","19.8054","0.0005","73.0285","0.0014","78.4095","0.0013","79.4086","0.0014","4533.3","0.2","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C69.98 H39.95 F36 N18 O12.99 Y3 -","- C69.969 H39.865 F36.03 N18 O12.996 Y3 -","- C139.938 H79.73 F72.06 N36 O25.992 Y6 -","2","1","","Dolinar, Brian S.; Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; James, Tia'Asia; Dunbar, Kim R.","Lanthanide Triangles Supported by Radical Bridging Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12495","","x-ray","0.71073","MoKα","K-L~3~","0.0704","0.0441","","","0.0953","0.1071","","","","","","1.015","","","","has coordinates,has disorder","205003","2020-10-21","18:00:00",""
"4127011","14.8664","0.0008","16.6091","0.0009","19.8643","0.001","73.227","0.003","78.36","0.003","79.675","0.004","4561.1","0.4","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C70.38 H40.58 Dy3 F36.19 N18 O13.12 -","- C70.093 H40.083 Dy3 F36.078 N18 O13.033 -","- C140.186 H80.166 Dy6 F72.156 N36 O26.066 -","2","1","","Dolinar, Brian S.; Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; James, Tia'Asia; Dunbar, Kim R.","Lanthanide Triangles Supported by Radical Bridging Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12495","","x-ray","0.71073","MoKα","K-L~3~","0.1298","0.059","","","0.0989","0.1245","","","","","","1.017","","","","has coordinates,has disorder","205003","2020-10-21","18:00:00",""
"4127012","26.245","0.002","34.335","0.003","21.8451","0.0018","90","","113.867","0.004","90","","18002","3","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C140 H87 Dy0.65 F72 N36 O26 Y5.35 -","- C140 H80 Dy0.6234 F72 N36 O26 Y5.3766 -","- C560 H320 Dy2.4936 F288 N144 O104 Y21.5064 -","4","1","","Dolinar, Brian S.; Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; James, Tia'Asia; Dunbar, Kim R.","Lanthanide Triangles Supported by Radical Bridging Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12495","","x-ray","0.71073","MoKα","K-L~3~","0.085","0.0457","","","0.083","0.0955","","","","","","1.019","","","","has coordinates,has disorder","205003","2020-10-21","18:00:00",""
"4127013","11.64","0.008","16.184","0.011","20.197","0.014","90","","104.568","0.017","90","","3682","4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H14 Co Dy F24 O8 -","- C30 H14 Co Dy F24 O8 -","- C120 H56 Co4 Dy4 F96 O32 -","4","1","","Dolinar, Brian S.; Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; James, Tia'Asia; Dunbar, Kim R.","Lanthanide Triangles Supported by Radical Bridging Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12495","","x-ray","0.71073","MoKα","","0.0718","0.0429","","","0.0689","0.0772","","","","","","1.026","","","","has coordinates","205004","2020-10-21","18:00:00",""
"4127014","24.9795","0.0007","15.4624","0.0006","19.4486","0.0006","90","","95.16","0.002","90","","7481.4","0.4","90","0.3","90","0.3","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C118 H46 Cl6 Gd2 N4 Ni -","- C118 H46 Cl6 Gd1.992 N4 Ni -","- C472 H184 Cl24 Gd7.968 N16 Ni4 -","4","0.5","","Hu, Ziqi; Dong, Bo-Wei; Liu, Zheng; Liu, Jun-Jie; Su, Jie; Yu, Changcheng; Xiong, Jin; Shi, Di-Er; Wang, Yuanyuan; Wang, Bing-Wu; Ardavan, Arzhang; Shi, Zujin; Jiang, Shang-Da; Gao, Song","Endohedral Metallofullerene as Molecular High Spin Qubit: Diverse Rabi Cycles in Gd2@C79N.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12170","","","0.71073","MoKα","","0.1247","0.1061","","","0.2533","0.2643","","","","","","1.084","","","","has coordinates","205039","2020-10-21","18:00:00",""
"4127015","23.5545","0.0007","6.98845","0.00019","11.5542","0.0003","90","","90","","90","","1901.93","0.09","150","0.1","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H22 B20 S2 -","- C4 H22 B20 S2 -","- C16 H88 B80 S8 -","4","1","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0484","0.0471","","","0.1206","0.122","","","","","","1.043","","","","has coordinates","205088","2020-10-21","18:00:00",""
"4127016","6.7331","0.0001","26.9421","0.0004","7.5727","0.0001","90","","90","","90","","1373.72","0.03","200","0.1","200","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C4 H13 Ag2 B10 N S2 -","- C4 H13 Ag2 B10 N S2 -","- C16 H52 Ag8 B40 N4 S8 -","4","0.5","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0354","0.0326","","","0.088","0.0901","","","","","","1.045","","","","has coordinates,has disorder","205089","2020-10-21","18:00:00",""
"4127017","27.1757","0.0003","27.1757","0.0003","26.6358","0.0005","90","","90","","90","","19671","0.5","150","0.1","150","0.1","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C76 H108 Ag14 B60 N8 S12 -","- C76 H108 Ag14 B60 N8 S12 -","- C304 H432 Ag56 B240 N32 S48 -","4","","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0792","0.0644","","","0.1984","0.2099","","","","","","0.996","","","","has coordinates,has disorder","205090","2020-10-21","18:00:00",""
"4127018","18.37789","0.00016","25.1011","0.0002","28.6642","0.0003","90","","90","","90","","13222.9","0.2","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C63 H122 Ag14 B60 Cl6 N8 S12 -","- C63 H122 Ag14 B60 Cl6 N8 S12 -","- C252 H488 Ag56 B240 Cl24 N32 S48 -","4","0.5","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0474","0.0453","","","0.1149","0.1163","","","","","","1.112","","","","has coordinates","205091","2020-10-21","18:00:00",""
"4127019","15.7244","0.0002","15.7244","0.0002","21.469","0.0004","90","","90","","90","","5308.36","0.14","150","0.1","150","0.1","","","","","","","","6","I 4/m","-I 4","87","","","","- C52 H100 Ag14 B60 N8 S12 -","- C52 H100 Ag14 B60 N8 S12 -","- C104 H200 Ag28 B120 N16 S24 -","2","0.125","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0532","0.0466","","","0.1262","0.131","","","","","","1.113","","","","has coordinates,has disorder","205092","2020-10-21","18:00:00",""
"4127020","15.3002","0.00012","15.3002","0.00012","42.667","0.0004","90","","90","","120","","8650.02","0.13","150","0.1","150","0.1","","","","","","","","7","P 32","P 32","145","","","","- C44 H104.5 Ag14 B60 N14.5 O3 S12 -","- C44 H104.5 Ag14 B60 N14.5 O3 S12 -","- C132 H313.5 Ag42 B180 N43.5 O9 S36 -","3","1","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0372","0.0357","","","0.0973","0.0983","","","","","","1.029","","","","has coordinates,has disorder","205093","2020-10-21","18:00:00",""
"4127021","14.7109","0.0009","14.8752","0.0006","15.142","0.0009","84.784","0.004","60.966","0.006","84.106","0.004","2878.6","0.3","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H96 Ag14 B60 N12 S12 -","- C36 H96 Ag14 B60 N12 S12 -","- C36 H96 Ag14 B60 N12 S12 -","1","0.5","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0918","0.0826","","","0.2236","0.2364","","","","","","1.045","","","","has coordinates,has disorder","205094","2020-10-21","18:00:00",""
"4127022","22.3664","0.0004","19.6548","0.0003","19.5374","0.0003","90","","111.905","0.002","90","","7968.7","0.3","150","0.1","150","0.1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H88 Ag14 B60 N12 S12 -","- C40 H88 Ag14 B60 N12 S12 -","- C80 H176 Ag28 B120 N24 S24 -","2","0.25","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0732","0.0693","","","0.1901","0.193","","","","","","1.047","","","","has coordinates,has disorder","205095","2020-10-21","18:00:00",""
"4127023","22.9804","0.0003","22.9804","0.0003","20.1589","0.0004","90","","90","","90","","10645.9","0.3","270","0.1","270","0.1","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C52 H92 Ag14 B60 N8 S12 -","- C52 H92 Ag14 B60 N8 S12 -","- C104 H184 Ag28 B120 N16 S24 -","2","0.125","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0755","0.0686","","","0.2279","0.2359","","","","","","1.099","","","","has coordinates,has disorder","205096","2020-10-21","18:00:00",""
"4127024","7.4813","0.0014","8.743","0.0016","9.9454","0.0018","104.663","0.002","94.77","0.002","91.695","0.002","626.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","MRP2046","MRP2046","","- C13 H14 Br N3 -","- C13 H14 Br N3 -","- C26 H28 Br2 N6 -","2","1","","Porter, Matthew R.; Shaker, Rami M.; Calcanas, Cristian; Topczewski, Joseph J.","Stereoselective Dynamic Cyclization of Allylic Azides: Synthesis of Tetralins, Chromanes, and Tetrahydroquinolines.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11299","","","0.71073","MoKα","","0.0331","0.0258","","","0.0583","0.0607","","","","","","1.025","","","","has coordinates","205097","2020-10-21","18:00:00",""
"4127025","16.721","0.003","16.721","0.003","19.704","0.005","90","","90","","90","","5509","2","298","","298","","","","101","","","","synthetic","7","I 4/m","-I 4","87","zirconium nickel cyclam carboxylate","6,13-dicarboxy-1,4,8,11-tetrazacyclotetradecan copper zirconium oxide","none","- C24 H44 Cl4 Cu2 N8 O36 Zr3 -","- C24 H44 Cl4 Cu2 N8 O36 Zr3 -","- C96 H176 Cl16 Cu8 N32 O144 Zr12 -","4","0.25","","Zhu, Jie; Usov, Pavel M.; Xu, Wenqian; Celis-Salazar, Paula J; Lin, Shaoyang; Kessinger, Matthew C.; Landaverde-Alvarado, Carlos; Cai, Meng; May, Ann M.; Slebodnick, Carla; Zhu, Dunru; Senanayake, Sanjaya D.; Morris, Amanda J.","A New Class of Metal-Cyclam based Zirconium Metal-Organic Frameworks for CO2 Adsorption and Chemical Fixation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10643","powder diffraction","x-ray","0.45336","Synchrotronmono-beam","","","","","","","","0.1635","","5.58","","","","","","","has coordinates","205263","2020-10-21","18:00:00",""
"4127026","6.5665","0.0003","8.8382","0.0005","11.8641","0.0005","71.886","0.004","86.219","0.004","73.762","0.005","628.15","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H38 Cl2 N6 Ni O6 -","- C18 H38 Cl2 N6 Ni O6 -","- C18 H38 Cl2 N6 Ni O6 -","1","0.5","","Zhu, Jie; Usov, Pavel M.; Xu, Wenqian; Celis-Salazar, Paula J; Lin, Shaoyang; Kessinger, Matthew C.; Landaverde-Alvarado, Carlos; Cai, Meng; May, Ann M.; Slebodnick, Carla; Zhu, Dunru; Senanayake, Sanjaya D.; Morris, Amanda J.","A New Class of Metal-Cyclam based Zirconium Metal-Organic Frameworks for CO2 Adsorption and Chemical Fixation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10643","","x-ray","1.54184","CuKα","","0.0426","0.0356","","","0.0879","0.0935","","","","","","1.037","","","","has coordinates","205264","2020-10-21","18:00:00",""
"4127027","8.5135","0.0005","9.7381","0.0004","13.3092","0.0007","90.048","0.004","104.471","0.005","95.762","0.004","1062.61","0.1","101.55","0.1","101.55","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Cl2 Cu N4 O12 -","- C12 H24 Cl2 Cu N4 O12 -","- C24 H48 Cl4 Cu2 N8 O24 -","2","1","","Zhu, Jie; Usov, Pavel M.; Xu, Wenqian; Celis-Salazar, Paula J; Lin, Shaoyang; Kessinger, Matthew C.; Landaverde-Alvarado, Carlos; Cai, Meng; May, Ann M.; Slebodnick, Carla; Zhu, Dunru; Senanayake, Sanjaya D.; Morris, Amanda J.","A New Class of Metal-Cyclam based Zirconium Metal-Organic Frameworks for CO2 Adsorption and Chemical Fixation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10643","","x-ray","0.71073","MoKα","","0.0784","0.0541","","","0.1103","0.1221","","","","","","1.062","","","","has coordinates","205265","2020-10-21","18:00:00",""
"4127028","6.7984","0.0004","9.7309","0.0005","12.9543","0.0007","90","","93.913","0.005","90","","854.99","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Cl2 Cu N4 O4 -","- C12 H24 Cl2 Cu N4 O4 -","- C24 H48 Cl4 Cu2 N8 O8 -","2","0.5","","Zhu, Jie; Usov, Pavel M.; Xu, Wenqian; Celis-Salazar, Paula J; Lin, Shaoyang; Kessinger, Matthew C.; Landaverde-Alvarado, Carlos; Cai, Meng; May, Ann M.; Slebodnick, Carla; Zhu, Dunru; Senanayake, Sanjaya D.; Morris, Amanda J.","A New Class of Metal-Cyclam based Zirconium Metal-Organic Frameworks for CO2 Adsorption and Chemical Fixation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10643","","x-ray","0.71073","MoKα","","0.0551","0.0405","","","0.0758","0.0803","","","","","","1.085","","","","has coordinates","205266","2020-10-21","18:00:00",""
"4127029","16.51","0.003","16.51","0.003","19.811","0.005","90","","90","","90","","5400.1","1.9","298","","298","","","","101","","","","synthetic","7","I 4/m","-I 4","87","zirconium nickel cyclam carboxylate","6,13-dicarboxy-1,4,8,11-tetrazacyclotetradecan nickel zirconium oxide","none","- C24 H44 Cl4 N8 Ni2 O32 Zr3 -","- C24 H44 Cl4 N8 Ni2 O32 Zr3 -","- C96 H176 Cl16 N32 Ni8 O128 Zr12 -","4","0.25","","Zhu, Jie; Usov, Pavel M.; Xu, Wenqian; Celis-Salazar, Paula J; Lin, Shaoyang; Kessinger, Matthew C.; Landaverde-Alvarado, Carlos; Cai, Meng; May, Ann M.; Slebodnick, Carla; Zhu, Dunru; Senanayake, Sanjaya D.; Morris, Amanda J.","A New Class of Metal-Cyclam based Zirconium Metal-Organic Frameworks for CO2 Adsorption and Chemical Fixation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10643","powder diffraction","x-ray","0.45336","Synchrotronmono-beam","","","","","","","","0.17027","","4.16","","","","","","","has coordinates","205267","2020-10-21","18:00:00",""
"4127030","8.5347","0.0005","15.2793","0.0011","8.762","0.0007","90","","103.592","0.008","90","","1110.6","0.14","250","0.14","250","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl2 N4 Ni O14 -","- C12 H28 Cl2 N4 Ni O14 -","- C24 H56 Cl4 N8 Ni2 O28 -","2","0.5","","Zhu, Jie; Usov, Pavel M.; Xu, Wenqian; Celis-Salazar, Paula J; Lin, Shaoyang; Kessinger, Matthew C.; Landaverde-Alvarado, Carlos; Cai, Meng; May, Ann M.; Slebodnick, Carla; Zhu, Dunru; Senanayake, Sanjaya D.; Morris, Amanda J.","A New Class of Metal-Cyclam based Zirconium Metal-Organic Frameworks for CO2 Adsorption and Chemical Fixation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10643","","x-ray","1.54184","CuKα","","0.072","0.0637","","","0.1593","0.165","","","","","","1.093","","","","has coordinates,has disorder","205268","2020-10-21","18:00:00",""
"4127031","14.3809","0.0007","9.9419","0.0004","18.1561","0.0007","90","","99.657","0.002","90","","2559.06","0.19","150","2","150","2","","","","","","","synthesized by the authors","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 O2 S2 -","- C34 H22 O2 S2 -","- C136 H88 O8 S8 -","4","0.5","","Stetsovych, Oleksandr; Mutombo, Pingo; Švec, Martin; Šámal, Michal; Nejedly, Jindrich; Cisarova, Ivana; Vazquez, Hector; Moro-Lagares, Maria; Berger, Jan; Vacek, Jaroslav; Stará, Irena G; Stary, Ivo; Jelinek, Pavel","Large converse piezoelectric effect measured on a single molecule on a metallic surface.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08729","","","0.71073","MoKα","","0.0387","0.0333","","","0.088","0.093","","","","","","1.075","","","","has coordinates","205269","2020-10-21","18:00:00",""
"4127032","9.3913","0.0005","9.8798","0.0005","12.6597","0.0006","90","","90","","90","","1174.62","0.1","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Zwick, Christian R.; Renata, Hans","Remote C-H Hydroxylation by an α-Ketoglutarate-Dependent Dioxygenase Enables Efficient Chemoenzymatic Synthesis of Manzacidin C and Proline Analogs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12918","","x-ray","1.54178","CuKα","K-L~3~","0.0269","0.0268","","","0.0674","0.0674","","","","","","1.099","","","","has coordinates","205270","2020-10-21","18:00:00",""
"4127033","11.3991","0.0007","5.7528","0.0004","13.4124","0.0009","90","","94.166","0.004","90","","877.22","0.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Zwick, Christian R.; Renata, Hans","Remote C-H Hydroxylation by an α-Ketoglutarate-Dependent Dioxygenase Enables Efficient Chemoenzymatic Synthesis of Manzacidin C and Proline Analogs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12918","","x-ray","1.54178","CuKα","K-L~3~","0.0453","0.04","","","0.1033","0.1078","","","","","","1.053","","","","has coordinates","205271","2020-10-21","18:00:00",""
"4127034","18.0473","0.0009","5.647","0.0003","12.1602","0.0006","90","","91.82","0.002","90","","1238.66","0.11","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H19 N O4 -","- C11 H19 N O4 -","- C44 H76 N4 O16 -","4","1","","Zwick, Christian R.; Renata, Hans","Remote C-H Hydroxylation by an α-Ketoglutarate-Dependent Dioxygenase Enables Efficient Chemoenzymatic Synthesis of Manzacidin C and Proline Analogs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12918","","x-ray","1.54178","CuKα","K-L~3~","0.0279","0.0269","","","0.068","0.0687","","","","","","1.091","","","","has coordinates","205272","2020-10-21","18:00:00",""
"4127035","7.3251","0.0005","15.5411","0.0009","21.9323","0.0013","90","","97.299","0.004","90","","2476.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 Fe N3 O -","- C29 H33 Fe N3 O -","- C116 H132 Fe4 N12 O4 -","4","1","","Liang, Qiuming; Salmon, Andrew; Kim, Patrick Jinhyung; Yan, Linfan; Song, Datong","Unusual Rearrangement of an N-Donor-Functionalized N-Heterocyclic Carbene Ligand on Group 8 Metals.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13097","","","0.71073","MoKα","","0.0897","0.046","","","0.0851","0.1018","","","","","","1.019","","","","has coordinates","205273","2020-10-21","18:00:00",""
"4127036","7.3957","0.0007","13.6493","0.0013","14.1277","0.0012","62.554","0.004","78.316","0.004","89.506","0.004","1233.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 N3 O Ru -","- C29 H33 N3 O Ru -","- C58 H66 N6 O2 Ru2 -","2","1","","Liang, Qiuming; Salmon, Andrew; Kim, Patrick Jinhyung; Yan, Linfan; Song, Datong","Unusual Rearrangement of an N-Donor-Functionalized N-Heterocyclic Carbene Ligand on Group 8 Metals.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13097","","","0.71073","MoKα","","0.0968","0.0532","","","0.0858","0.1019","","","","","","1.012","","","","has coordinates","205273","2020-10-21","18:00:00",""
"4127037","10.2644","0.0008","11.3701","0.0007","14.0186","0.001","75.816","0.003","73.171","0.004","89.508","0.004","1514.83","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H42 N4 Ru -","- C33 H42 N4 Ru -","- C66 H84 N8 Ru2 -","2","1","","Liang, Qiuming; Salmon, Andrew; Kim, Patrick Jinhyung; Yan, Linfan; Song, Datong","Unusual Rearrangement of an N-Donor-Functionalized N-Heterocyclic Carbene Ligand on Group 8 Metals.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13097","","","0.71073","MoKα","","0.1912","0.0793","","","0.152","0.2174","","","","","","0.956","","","","has coordinates","205273","2020-10-21","18:00:00",""
"4127038","11.1306","0.0007","14.172","0.001","18.7468","0.0013","76.008","0.003","77.143","0.003","86.82","0.003","2797.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H79 B Fe N4 O2 -","- C65 H79 B Fe N4 O2 -","- C130 H158 B2 Fe2 N8 O4 -","2","1","","Liang, Qiuming; Salmon, Andrew; Kim, Patrick Jinhyung; Yan, Linfan; Song, Datong","Unusual Rearrangement of an N-Donor-Functionalized N-Heterocyclic Carbene Ligand on Group 8 Metals.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13097","","","0.71073","MoKα","","0.1381","0.0898","","","0.2086","0.2648","","","","","","1.098","","","","has coordinates,has disorder","205273","2020-10-21","18:00:00",""
"4127039","14.2636","0.0008","13.1137","0.0008","16.3193","0.0007","90","","107.924","0.003","90","","2904.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 Fe N4 -","- C33 H42 Fe N4 -","- C132 H168 Fe4 N16 -","4","1","","Liang, Qiuming; Salmon, Andrew; Kim, Patrick Jinhyung; Yan, Linfan; Song, Datong","Unusual Rearrangement of an N-Donor-Functionalized N-Heterocyclic Carbene Ligand on Group 8 Metals.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13097","","","0.71073","MoKα","","0.0767","0.0438","","","0.0897","0.1021","","","","","","1.003","","","","has coordinates","205273","2020-10-21","18:00:00",""
"4127040","29.871","0.004","11.5282","0.0013","17.593","0.002","90","","96.648","0.004","90","","6017.6","1.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 Fe N4 -","- C33 H42 Fe N4 -","- C264 H336 Fe8 N32 -","8","2","","Liang, Qiuming; Salmon, Andrew; Kim, Patrick Jinhyung; Yan, Linfan; Song, Datong","Unusual Rearrangement of an N-Donor-Functionalized N-Heterocyclic Carbene Ligand on Group 8 Metals.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13097","","","0.71073","MoKα","","0.2291","0.0882","","","0.1444","0.1835","","","","","","1.012","","","","has coordinates,has disorder","205273","2020-10-21","18:00:00",""
"4127041","30.442","0.0011","11.6192","0.0004","17.6396","0.0006","90","","99.271","0.002","90","","6157.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 N4 Ru -","- C33 H42 N4 Ru -","- C264 H336 N32 Ru8 -","8","2","","Liang, Qiuming; Salmon, Andrew; Kim, Patrick Jinhyung; Yan, Linfan; Song, Datong","Unusual Rearrangement of an N-Donor-Functionalized N-Heterocyclic Carbene Ligand on Group 8 Metals.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13097","","","0.71073","MoKα","","0.1515","0.0635","","","0.1013","0.1276","","","","","","0.995","","","","has coordinates,has disorder","205273","2020-10-21","18:00:00",""
"4127042","8.9492","0.0006","26.3473","0.0019","20.6647","0.0013","90","","90.222","0.003","90","","4872.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H63 B N4 Ru -","- C57 H63 B N4 Ru -","- C228 H252 B4 N16 Ru4 -","4","1","","Liang, Qiuming; Salmon, Andrew; Kim, Patrick Jinhyung; Yan, Linfan; Song, Datong","Unusual Rearrangement of an N-Donor-Functionalized N-Heterocyclic Carbene Ligand on Group 8 Metals.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13097","","","0.71073","MoKα","","0.1522","0.0608","","","0.0943","0.1195","","","","","","0.982","","","","has coordinates","205273","2020-10-21","18:00:00",""
"4127043","16.787","0.013","10.888","0.009","14.974","0.01","90","","101.69","0.03","90","","2680","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 B Fe N3 O -","- C29 H36 B Fe N3 O -","- C116 H144 B4 Fe4 N12 O4 -","4","1","","Liang, Qiuming; Salmon, Andrew; Kim, Patrick Jinhyung; Yan, Linfan; Song, Datong","Unusual Rearrangement of an N-Donor-Functionalized N-Heterocyclic Carbene Ligand on Group 8 Metals.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13097","","","0.71073","MoKα","","0.2276","0.0758","","","0.1142","0.161","","","","","","0.998","","","","has coordinates,has disorder","205273","2020-10-21","18:00:00",""
"4127044","24.736","0.004","26.149","0.004","26.677","0.004","90","","107.65","0.005","90","","16443","4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- In16 S33 Zn4 -","- In16 S33 Zn4 -","- In64 S132 Zn16 -","4","1","","Xu, Xiaofan; Wang, Wei; Liu, Dongliang; Hu, Dandan; Wu, Tao; Bu, Xianhui; Feng, Pingyun","Pushing up the Size Limit of Metal Chalcogenide Supertetrahedral Nanocluster","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12092","","","0.71073","MoKα","","0.0866","0.0579","","","0.1639","0.1814","","","","","","1.078","","","","has coordinates","205330","2020-10-21","18:00:00",""
"4127045","32.738","0.004","32.736","0.004","27.371","0.003","90","","119.826","0.003","90","","25448","5","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- In26 O S41 Zn2 en lv so t -","- In26 O S41 Zn2 -","- In208 O8 S328 Zn16 -","8","1","","Xu, Xiaofan; Wang, Wei; Liu, Dongliang; Hu, Dandan; Wu, Tao; Bu, Xianhui; Feng, Pingyun","Pushing up the Size Limit of Metal Chalcogenide Supertetrahedral Nanocluster","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12092","","","0.71073","MoKα","","0.1716","0.1039","","","0.3667","0.4151","","","","","","1.07","","","","has coordinates,has disorder","205330","2020-10-21","18:00:00",""
"4127046","12.508","0.004","13.417","0.004","16.765","0.004","93.629","0.004","91.851","0.004","116.42","0.007","2508.8","1.3","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H68 Si6 -","- C54 H68 Si6 -","- C108 H136 Si12 -","2","1","","Li, Yang; Li, Jianfeng; Zhang, Jianying; Song, Haibin; Cui, Chunming","Isolation of R6Si6 Dianion, a Bridged Tricyclic Isomer of Dianionic Hexasilabenzene.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12163","","","0.71073","MoKα","","0.1498","0.0745","","","0.1682","0.2078","","","","","","1.02","","","","has coordinates","205331","2020-10-21","18:00:00",""
"4127047","23.036","0.005","19.079","0.003","23.557","0.003","90","","108.19","0.006","90","","9836","3","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H148 K2 O16 Si6 -","- C94 H146 K2 O16 Si6 -","- C376 H584 K8 O64 Si24 -","4","1","","Li, Yang; Li, Jianfeng; Zhang, Jianying; Song, Haibin; Cui, Chunming","Isolation of R6Si6 Dianion, a Bridged Tricyclic Isomer of Dianionic Hexasilabenzene.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12163","","","0.71075","MoKα","","0.1567","0.0819","","","0.1914","0.243","","","","","","1.052","","","","has coordinates,has disorder","205332","2020-10-21","18:00:00",""
"4127048","14.367","0.003","15.608","0.003","16.258","0.003","108.449","0.003","100.857","0.002","109.399","0.004","3081.5","1.1","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C68 H82 Si6 -","- C68 H82 Si6 -","- C136 H164 Si12 -","2","1","","Li, Yang; Li, Jianfeng; Zhang, Jianying; Song, Haibin; Cui, Chunming","Isolation of R6Si6 Dianion, a Bridged Tricyclic Isomer of Dianionic Hexasilabenzene.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12163","","","0.71073","MoKα","","0.0878","0.0573","","","0.1604","0.1829","","","","","","1.16","","","","has coordinates","205333","2020-10-21","18:00:00",""
"4127049","9.7979","0.001","29.913","0.003","30.341","0.003","90","","90.886","0.001","90","","8891.4","1.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 Cl4 Si3 -","- C27 H34 Cl4 Si3 -","- C324 H408 Cl48 Si36 -","12","3","","Li, Yang; Li, Jianfeng; Zhang, Jianying; Song, Haibin; Cui, Chunming","Isolation of R6Si6 Dianion, a Bridged Tricyclic Isomer of Dianionic Hexasilabenzene.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12163","","","0.71073","MoKα","","0.0518","0.0426","","","0.1014","0.1065","","","","","","1.042","","","","has coordinates","205334","2020-10-21","18:00:00",""
"4127050","11.935","0.002","5.9402","0.001","12.713","0.002","90","","105.332","0.007","90","","869.2","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O S -","- C20 H20 N2 O S -","- C40 H40 N4 O2 S2 -","2","1","","Jiang, Xingyu; Boehm, Philip; Hartwig, John F.","Stereodivergent Allylation of Azaaryl Acetamides and Acetates by Synergistic Iridium and Copper Catalysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12824","","x-ray","0.71073","MoKα","","0.0375","0.0326","","","0.0797","0.0815","","","","","","1.069","","","","has coordinates","205382","2020-10-21","18:00:00",""
"4127051","6.3339","0.0005","8.7346","0.0007","31.364","0.003","90","","90","","90","","1735.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O S -","- C20 H20 N2 O S -","- C80 H80 N8 O4 S4 -","4","1","","Jiang, Xingyu; Boehm, Philip; Hartwig, John F.","Stereodivergent Allylation of Azaaryl Acetamides and Acetates by Synergistic Iridium and Copper Catalysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12824","","x-ray","0.71073","MoKα","","0.0261","0.0256","","","0.0707","0.0711","","","","","","1.128","","","","has coordinates","205383","2020-10-21","18:00:00",""
"4127052","13.897","0.0006","14.2343","0.0006","16.98","0.0007","69.173","0.002","77.196","0.002","74.108","0.002","2990.4","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H59 La N8 O13 -","- C48 H59 La N8 O13 -","- C96 H118 La2 N16 O26 -","2","1","","McSkimming, Alex; Cheisson, Thibault; Carroll, Patrick J.; Schelter, Eric J.","A Functional Synthetic Model for the Lanthanide-Dependent Quinoid Alcohol Dehydrogenase Active Site.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12318","","","0.71073","MoKα","","0.0637","0.0395","","","0.0798","0.0866","","","","","","1.008","","","","has coordinates","205384","2020-10-21","18:00:00",""
"4127053","13.0537","0.0008","17.5258","0.0011","23.1072","0.0014","90","","101.754","0.003","90","","5175.5","0.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H118 La2 N12 O14 -","- C96 H118 La2 N12 O14 -","- C192 H236 La4 N24 O28 -","2","0.5","","McSkimming, Alex; Cheisson, Thibault; Carroll, Patrick J.; Schelter, Eric J.","A Functional Synthetic Model for the Lanthanide-Dependent Quinoid Alcohol Dehydrogenase Active Site.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12318","","","0.71073","MoKα","","0.0596","0.0369","","","0.0751","0.0836","","","","","","1.021","","","","has coordinates,has disorder","205384","2020-10-21","18:00:00",""
"4127054","14.8178","0.0004","13.2109","0.0004","25.5413","0.0008","90","","106.456","0.002","90","","4795.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 F6 N O6 S -","- C22 H19 F6 N O6 S -","- C176 H152 F48 N8 O48 S8 -","8","1","","Chen, Chaohuang; Luo, Yixin; Fu, Liang; Chen, Pinhong; Lan, Yu; Liu, Guosheng","Palladium-Catalyzed Intermolecular Ditrifluoromethoxylation of Unactivated Alkenes: CF3O-Palladation Initiated by Pd(IV).","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11470","","","0.71073","MoKα","","0.0814","0.0731","","","0.205","0.2135","","","","","","1.053","","","","has coordinates,has disorder","205418","2020-10-21","18:00:00",""
"4127055","10.993","0.002","9.035","0.003","13.737","0.004","90","","109.866","0.007","90","","1283.2","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 Cl N -","- C13 H18 Cl N -","- C52 H72 Cl4 N4 -","4","2","","Meza, Arismel Tena; Wurm, Thomas; Smith, Lewis; Kim, Seung Wook; Zbieg, Jason R.; Stivala, Craig E.; Krische, Michael J.","Amphiphilic π-Allyliridium C,O-Benzoates Enable Regio- and Enantioselective Amination of Branched Allylic Acetates Bearing Linear Alkyl Groups","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13482","","","0.71073","MoKα","","0.0533","0.0451","","","0.1108","0.116","","","","","","1.038","","","","has coordinates","205419","2020-10-21","18:00:00",""
"4127056","11.1563","0.0005","7.4956","0.0003","25.0848","0.0011","90","","97.112","0.002","90","","2081.53","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 Br I O4 -","- C19 H24 Br I O4 -","- C76 H96 Br4 I4 O16 -","4","2","","Manoni, Francesco; Rumo, Corentin; Li, Liubo; Harran, Patrick G.","Unconventional fragment usage enables a concise total synthesis of (-)-callyspongiolide.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13591","","","0.71073","MoKα","","0.0386","0.026","","","0.0524","0.0549","","","","","","1.019","","","","has coordinates","205420","2020-10-21","18:00:00",""
"4127057","7.3033","0.0006","7.3319","0.0005","33.937","0.003","90","","90","","90","","1817.2","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl N2 O2 -","- C19 H21 Cl N2 O2 -","- C76 H84 Cl4 N8 O8 -","4","1","","Wei, Liang; Zhu, Qiao; Xu, Shi-Ming; Chang, Xin; Wang, Chun-Jiang","Stereodivergent Synthesis of α,α-Disubstituted α-Amino Acids via Synergistic Cu/Ir Catalysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12174","","","0.71073","MoKα","","0.0506","0.0395","","","0.0892","0.0948","","","","","","1.053","","","","has coordinates","205452","2020-10-21","18:00:00",""
"4127058","11.5444","0.0005","16.0589","0.0007","26.8374","0.0014","95.114","0.003","92.97","0.003","90.036","0.003","4948.9","0.4","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","compound8","compound8","","- C54 H59 Cl2 O2 P2 Rh Si -","- C54 H59 Cl2 O2 P2 Rh Si -","- C216 H236 Cl8 O8 P8 Rh4 Si4 -","4","2","","Karmel, Caleb; Li, Bi-Jie; Hartwig, John F.","Rhodium-Catalyzed Regioselective Silylation of Alkyl C-H Bonds for the Synthesis of 1,4-Diols.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11964","","","1.54178","CuKα","","0.1193","0.1059","","","0.2772","0.2935","","","","","","1.087","","","","has coordinates","205453","2020-10-21","18:00:00",""
"4127059","17.6304","0.0006","18.1797","0.0006","18.7127","0.0006","90","","96.862","0.001","90","","5954.7","0.3","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","compound9","compound9","","- C78 H64 O2 P4 Rh -","- C78 H64 O2 P4 Rh -","- C312 H256 O8 P16 Rh4 -","4","0.5","","Karmel, Caleb; Li, Bi-Jie; Hartwig, John F.","Rhodium-Catalyzed Regioselective Silylation of Alkyl C-H Bonds for the Synthesis of 1,4-Diols.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11964","","","0.71073","MoKα","","0.0676","0.0452","","","0.099","0.1098","","","","","","1.0342","","","","has coordinates","205454","2020-10-21","18:00:00",""
"4127060","6.5555","0.0003","7.2872","0.0003","17.9836","0.0007","88.767","0.002","87.077","0.002","88.171","0.002","857.37","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","none","Compound5t","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C36 H50 N2 O10 -","2","2","","Karmel, Caleb; Li, Bi-Jie; Hartwig, John F.","Rhodium-Catalyzed Regioselective Silylation of Alkyl C-H Bonds for the Synthesis of 1,4-Diols.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11964","","","1.54178","CuKα","","0.0464","0.0403","","","0.1077","0.112","","","","","","1.011","","","","has coordinates","205455","2020-10-21","18:00:00",""
"4127061","18.4691","0.0015","13.1762","0.001","25.638","0.002","90","","95.478","0.004","90","","6210.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound11","Compound11","","- C66 H73 O2 P2 Rh Si -","- C66 H73 O2 P2 Rh Si -","- C264 H292 O8 P8 Rh4 Si4 -","4","1","","Karmel, Caleb; Li, Bi-Jie; Hartwig, John F.","Rhodium-Catalyzed Regioselective Silylation of Alkyl C-H Bonds for the Synthesis of 1,4-Diols.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11964","","","0.71073","MoKα","","0.0531","0.0418","","","0.1018","0.1088","","","","","","1.045","","","","has coordinates","205456","2020-10-21","18:00:00",""
"4127062","17.207","0.005","24.701","0.005","55.119","0.005","90","0.005","90","0.005","90","0.005","23427","9","180","2","180","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C24 H35.5 Br2 Cu N7 O1.5 -","- C24 H35.5 Br2 Cu N7 O1.5 -","- C768 H1136 Br64 Cu32 N224 O48 -","32","","","Ribelli, Thomas G.; Fantin, Marco; Daran, Jean-Claude; Augustine, Kyle F.; Poli, Rinaldo; Matyjaszewski, Krzysztof","Synthesis and Characterization of the Most Active Copper ATRP Catalyst Based on Tris[(4-dimethylaminopyridyl)methyl]amine.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12180","","x-ray","0.71073","MoKα","","0.0632","0.0413","","","0.089","0.0947","","","","","","1.067","","","","has coordinates","205457","2020-10-21","18:00:00",""
"4127063","18.6622","0.0002","17.9481","0.0002","19.1933","0.0003","90","","102.159","0.0013","90","","6284.59","0.14","150","","150","","","","","","","","SYN","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H52 B F24 O P2 Rh -","- C62 H52 B F24 O P2 Rh -","- C248 H208 B4 F96 O4 P8 Rh4 -","4","1","","Adams, Gemma M.; Colebatch, Annie L.; Skornia, Joseph T.; McKay, Alasdair I.; Johnson, Heather C.; Lloyd Jones, Guy C.; Macgregor, Stuart A.; Beattie, Nicholas A.; Weller, Andrew S.","Dehydropolymerization of H3B·NMeH2 To Form Polyaminoboranes Using [Rh(Xantphos-alkyl)] Catalysts.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11975","","","1.54184","CuKα","","0.0676","0.0621","","0.1601","0.1507","0.1601","","","","","","0.9583","","","","has coordinates,has disorder","205502","2020-10-21","18:00:00",""
"4127064","22.8626","0.0002","25.0729","0.0002","24.0283","0.0002","90","","106.58","0.0009","90","","13201.1","0.2","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Rh(iPrXant)(nbd)][BArF4]","","- C66 H60 B F24 O P2 Rh -","- C66 H60 B F24 O P2 Rh -","- C528 H480 B8 F192 O8 P16 Rh8 -","8","2","","Adams, Gemma M.; Colebatch, Annie L.; Skornia, Joseph T.; McKay, Alasdair I.; Johnson, Heather C.; Lloyd Jones, Guy C.; Macgregor, Stuart A.; Beattie, Nicholas A.; Weller, Andrew S.","Dehydropolymerization of H3B·NMeH2 To Form Polyaminoboranes Using [Rh(Xantphos-alkyl)] Catalysts.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11975","","","1.5418","CuKα","","0.0572","0.0456","","0.1222","0.1117","0.1221","","","","","","0.9798","","","","has coordinates,has disorder","205502","2020-10-21","18:00:00",""
"4127065","19.3278","0.0001","13.1158","0.0001","26.1296","0.0002","90","","90","","90","","6623.84","0.08","150","","150","","","","","","","","","8","P c a 21","P 2c -2ac","29","","[Rh(iPrXant)(H)2(H3BNMe3)][BArF4]","","- C62 H66 B2 F24 N O P2 Rh -","- C62 H66 B2 F24 N O P2 Rh -","- C248 H264 B8 F96 N4 O4 P8 Rh4 -","4","1","","Adams, Gemma M.; Colebatch, Annie L.; Skornia, Joseph T.; McKay, Alasdair I.; Johnson, Heather C.; Lloyd Jones, Guy C.; Macgregor, Stuart A.; Beattie, Nicholas A.; Weller, Andrew S.","Dehydropolymerization of H3B·NMeH2 To Form Polyaminoboranes Using [Rh(Xantphos-alkyl)] Catalysts.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11975","","","1.5418","CuKα","","0.0409","0.04","","0.1049","0.1039","0.1048","","","","","","0.9794","","","","has coordinates,has disorder","205502","2020-10-21","18:00:00",""
"4127066","10.0314","0.0003","10.5096","0.0003","12.0652","0.0004","107.493","0.0015","98.9909","0.0014","100.227","0.0013","1163.72","0.06","150","","150","","","","","","","","SYN","6","P -1","-P 1","2","","","","- C46 H64 Cl2 O2 P4 Rh2 -","- C46 H64 Cl2 O2 P4 Rh2 -","- C46 H64 Cl2 O2 P4 Rh2 -","1","0.5","","Adams, Gemma M.; Colebatch, Annie L.; Skornia, Joseph T.; McKay, Alasdair I.; Johnson, Heather C.; Lloyd Jones, Guy C.; Macgregor, Stuart A.; Beattie, Nicholas A.; Weller, Andrew S.","Dehydropolymerization of H3B·NMeH2 To Form Polyaminoboranes Using [Rh(Xantphos-alkyl)] Catalysts.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11975","","","0.71073","MoKα","","0.043","0.0336","","0.085","0.0748","0.085","","","","","","0.9243","","","","has coordinates","205502","2020-10-21","18:00:00",""
"4127067","11.9582","0.0005","14.5158","0.0004","13.0659","0.0005","90","","113.521","0.004","90","","2079.58","0.15","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H55 F2 O P2 Rh -","- C45 H55 F2 O P2 Rh -","- C90 H110 F4 O2 P4 Rh2 -","2","0.5","","Adams, Gemma M.; Colebatch, Annie L.; Skornia, Joseph T.; McKay, Alasdair I.; Johnson, Heather C.; Lloyd Jones, Guy C.; Macgregor, Stuart A.; Beattie, Nicholas A.; Weller, Andrew S.","Dehydropolymerization of H3B·NMeH2 To Form Polyaminoboranes Using [Rh(Xantphos-alkyl)] Catalysts.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11975","","x-ray","1.54184","CuKα","","0.0302","0.028","","","0.0716","0.073","","","","","","1.058","","","","has coordinates,has disorder","205502","2020-10-21","18:00:00",""
"4127068","14.1034","0.0004","14.4749","0.0009","23.9437","0.001","82.527","0.004","85.664","0.003","83.694","0.003","4807.8","0.4","150","0.4","150","0.4","","","","","","","","7","P -1","-P 1","2","","","","- C89 H92 B2 Cl10 O2 P4 Rh2 -","- C89 H92 B2 Cl10 O2 P4 Rh2 -","- C178 H184 B4 Cl20 O4 P8 Rh4 -","2","1","","Adams, Gemma M.; Colebatch, Annie L.; Skornia, Joseph T.; McKay, Alasdair I.; Johnson, Heather C.; Lloyd Jones, Guy C.; Macgregor, Stuart A.; Beattie, Nicholas A.; Weller, Andrew S.","Dehydropolymerization of H3B·NMeH2 To Form Polyaminoboranes Using [Rh(Xantphos-alkyl)] Catalysts.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11975","","x-ray","1.54184","CuKα","","0.1125","0.0787","","","0.1904","0.2255","","","","","","1.023","","","","has coordinates,has disorder","205502","2020-10-21","18:00:00",""
"4127069","15.6607","0.0004","14.8784","0.0005","36.9796","0.0012","90","","90","","90","","8616.5","0.5","100","2","100","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C31 H61 B3 Cl2 Ge N O P2 Si2 -","- C31 H61 B3 Cl2 Ge N O P2 Si2 -","- C248 H488 B24 Cl16 Ge8 N8 O8 P16 Si16 -","8","2","","Lu, Wei; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","A Boron Analogue of Vinylidene Dication Supported by Phosphines.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13068","","","0.71073","MoKα","","0.0672","0.0436","","","0.0834","0.0941","","","","","","1.017","","","","has coordinates,has disorder","205503","2020-10-21","18:00:00",""
"4127070","9.8778","0.0004","31.5436","0.0012","12.5366","0.0004","90","","111.393","0.0014","90","","3637","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H58 B3 N O P2 Si2 -","- C28 H58 B3 N O P2 Si2 -","- C112 H232 B12 N4 O4 P8 Si8 -","4","1","","Lu, Wei; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","A Boron Analogue of Vinylidene Dication Supported by Phosphines.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13068","","","0.71073","MoKα","","0.0952","0.0798","","","0.211","0.2335","","","","","","1.038","","","","has coordinates","205504","2020-10-21","18:00:00",""
"4127071","14.3206","0.0003","15.7507","0.0003","38.5776","0.0006","90","","90","","90","","8701.5","0.3","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C63 H124 B6 Br4 N2 O2 P4 Si4 Zn2 -","- C63 H124 B6 Br4 N2 O2 P4 Si4 Zn2 -","- C252 H496 B24 Br16 N8 O8 P16 Si16 Zn8 -","4","0.5","","Lu, Wei; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","A Boron Analogue of Vinylidene Dication Supported by Phosphines.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13068","","","0.71073","MoKα","","0.1089","0.0571","","","0.1418","0.1672","","","","","","1.041","","","","has coordinates,has disorder","205505","2020-10-21","18:00:00",""
"4127072","11.408","0.002","12.659","0.003","15.269","0.003","90","","90","","90","","2205.1","0.8","173.15","","173.15","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C19 H22 Co N4 Na O4 -","- C19 H22 Co N4 Na O4 -","- C76 H88 Co4 N16 Na4 O16 -","4","0.5","","Du, Hao-Yi; Chen, Si-Cong; Su, Xiao-Jun; Jiao, Lei; Zhang, Ming-Tian","Redox-Active Ligand Assisted Multielectron Catalysis: A Case of CoIII Complex as Water Oxidation Catalyst.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00032","","","0.71073","MoKα","","0.0452","0.0438","","","0.1177","0.1187","","","","","","1.18","","","","has coordinates,has disorder","205577","2020-10-21","18:00:00",""
"4127073","14.3649","0.0014","10.2878","0.0007","19.8168","0.0016","90","","102.493","0.009","90","","2859.2","0.4","178.2","0.9","178.2","0.9","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23.5 H36 Co N4 Na O5.5 -","- C23.5 H36 Co N4 Na O5.5 -","- C94 H144 Co4 N16 Na4 O22 -","4","1","","Du, Hao-Yi; Chen, Si-Cong; Su, Xiao-Jun; Jiao, Lei; Zhang, Ming-Tian","Redox-Active Ligand Assisted Multielectron Catalysis: A Case of CoIII Complex as Water Oxidation Catalyst.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00032","","x-ray","1.54184","CuKα","","0.1041","0.0746","","","0.1752","0.1985","","","","","","1.049","","","","has coordinates","205578","2020-10-21","18:00:00",""
"4127074","11.0709","0.0013","17.884","0.002","23.464","0.003","90","","90","","90","","4645.7","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H58 Cl2 N4 Ru -","- C54 H58 Cl2 N4 Ru -","- C216 H232 Cl8 N16 Ru4 -","4","1","","Higman, Carolyn S.; do Nascimento, Daniel Luis; Ireland, Benjamin J.; Audörsch, Stephan; Bailey, Gwendolyn A.; McDonald, Robert; Fogg, Deryn Elizabeth","Chelate-Assisted Ring-Closing Metathesis: A Strategy for Accelerated Macrocyclization at Ambient Temperatures.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13257","","","0.71073","MoKα","","0.0772","0.0587","","","0.1477","0.1597","","","","","","1.084","","","","has coordinates,has disorder","205579","2020-10-21","18:00:00",""
"4127075","22.803","0.002","8.0763","0.0008","13.3188","0.0014","90","","117.96","0.003","90","","2166.5","0.4","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C22 H20 Br Cl F3 N O3 -","- C22 H20 Br Cl F3 N O3 -","- C88 H80 Br4 Cl4 F12 N4 O12 -","4","1","","Xu, Shan; Zhang, Zhan-Ming; Xu, Bing; Liu, Bing; Liu, Yuanyuan; Zhang, Junliang","Enantioselective Regiodivergent Synthesis of Chiral Pyrrolidines with Two Quaternary Stereocenters via Ligand-Controlled Cop-per(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloadditions.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12137","","","0.71073","MoKα","","0.0524","0.0357","","","0.0787","0.0871","","","","","","1.055","","","","has coordinates","205580","2020-10-21","18:00:00",""
"4127076","11.6781","0.0004","13.5026","0.0004","15.291","0.0005","90","","90","","90","","2411.16","0.13","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br Cl F3 N O3 -","- C24 H24 Br Cl F3 N O3 -","- C96 H96 Br4 Cl4 F12 N4 O12 -","4","1","","Xu, Shan; Zhang, Zhan-Ming; Xu, Bing; Liu, Bing; Liu, Yuanyuan; Zhang, Junliang","Enantioselective Regiodivergent Synthesis of Chiral Pyrrolidines with Two Quaternary Stereocenters via Ligand-Controlled Cop-per(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloadditions.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12137","","","0.71073","MoKα","","0.0477","0.0329","","","0.0728","0.0793","","","","","","1.018","","","","has coordinates","205581","2020-10-21","18:00:00",""
"4127077","10.5499","0.0006","19.6382","0.0011","11.6438","0.0006","90","","96.629","0.002","90","","2396.2","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H22 Br F3 N2 O5 -","- C23 H22 Br F3 N2 O5 -","- C92 H88 Br4 F12 N8 O20 -","4","2","","Xu, Shan; Zhang, Zhan-Ming; Xu, Bing; Liu, Bing; Liu, Yuanyuan; Zhang, Junliang","Enantioselective Regiodivergent Synthesis of Chiral Pyrrolidines with Two Quaternary Stereocenters via Ligand-Controlled Cop-per(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloadditions.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12137","","","0.71073","MoKα","","0.071","0.0453","","","0.0999","0.1123","","","","","","1.016","","","","has coordinates","205582","2020-10-21","18:00:00",""
"4127078","37.277","0.003","38.673","0.003","27.0826","0.0019","90","","126.895","0.001","90","","31224","4","123","2","123","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C450 H480 Ag52 Mo15 O60 P20 S26 -","- C450 H480 Ag52 Mo15 O60 P20 S26 -","- C900 H960 Ag104 Mo30 O120 P40 S52 -","2","0.25","","Liu, Jia-Wei; Feng, Lei; Su, Hai-Feng; Wang, Zhi; Zhao, Quan-Qin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Anisotropic Assembly of Ag52 and Ag76 Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12777","","","0.71073","MoKα","","0.1845","0.1286","","","0.3274","0.369","","","","","","1.045","","","","has coordinates,has disorder","205583","2020-10-21","18:00:00",""
"4127079","25.27","0.0012","25.27","0.0012","54.323","0.003","90","","90","","90","","34689","3","100","2","100","2","","","","","","","","8","I -4","I -4","82","","","","- C412 H404 Ag76 Mo28 N4 O152 P16 S28 -","- C412 H404 Ag76 Mo28 N4 O152 P16 S28 -","- C824 H808 Ag152 Mo56 N8 O304 P32 S56 -","2","0.25","","Liu, Jia-Wei; Feng, Lei; Su, Hai-Feng; Wang, Zhi; Zhao, Quan-Qin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Anisotropic Assembly of Ag52 and Ag76 Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12777","","","0.71073","MoKα","","0.0337","0.0271","","","0.0632","0.0668","","","","","","1.027","","","","has coordinates,has disorder","205583","2020-10-21","18:00:00",""
"4127080","21.64","0.002","21.64","0.002","6.7928","0.0008","90","","90","","120","","2754.8","0.5","298","2","298","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(CO2)1.26","","","- C15.23 H6 O8.46 Zn2 -","- C15.262 H6 O8.524 Zn2 -","- C45.786 H18 O25.572 Zn6 -","3","0.5","","Forse, Alexander C.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Witherspoon, Velencia J.; Jawahery, Sudi; Mercado, Rocio; Milner, Phillip J.; Martell, Jeffrey D.; Smit, Berend; Blümich, Bernhard; Long, Jeffrey R.; Reimer, Jeffrey A.","Unexpected Diffusion Anisotropy of Carbon Dioxide in the Metal-Organic Framework Zn2(dobpdc).","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09453","","","0.7749","synchrotron","","0.0356","0.0307","","","0.07","0.0719","","","","","","1.108","","","","has coordinates,has disorder","205584","2020-10-21","18:00:00",""
"4127081","21.657","0.002","21.657","0.002","6.7666","0.0007","90","","90","","120","","2748.5","0.5","298","2","298","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Zn2(dobpdc)","","","- C14 H6 O6 Zn2 -","- C14 H6 O6 Zn2 -","- C42 H18 O18 Zn6 -","3","0.5","","Forse, Alexander C.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Witherspoon, Velencia J.; Jawahery, Sudi; Mercado, Rocio; Milner, Phillip J.; Martell, Jeffrey D.; Smit, Berend; Blümich, Bernhard; Long, Jeffrey R.; Reimer, Jeffrey A.","Unexpected Diffusion Anisotropy of Carbon Dioxide in the Metal-Organic Framework Zn2(dobpdc).","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09453","","","0.7749","synchrotron","","0.0413","0.0328","","","0.0754","0.0788","","","","","","1.098","","","","has coordinates","205585","2020-10-21","18:00:00",""
"4127082","10.2184","0.0004","12.6179","0.0004","13.4273","0.0005","97.46","0.003","104.726","0.003","98.808","0.003","1628.63","0.11","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H98 Br2 N2 O6 -","- C72 H98 Br2 N2 O6 -","- C72 H98 Br2 N2 O6 -","1","0.5","","Leventis, Anastasia; Royakkers, Jeroen; Rapidis, Alexandros G.; Goodeal, Niall; Corpinot, Merina K.; Frost, Jarvist M.; Bučar, Dejan-Krešimir; Blunt, Matthew Oliver; Cacialli, Franco; Bronstein, Hugo","Highly Luminescent Encapsulated Narrow Bandgap Polymers Based on Diketopyrrolopyrrole.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13447","","","1.54184","CuKα","","0.0561","0.0495","","","0.1336","0.136","","","","","","1.099","","","","has coordinates","205586","2020-10-21","18:00:00",""
"4127083","13.9883","0.0004","14.4112","0.0005","16.5507","0.0006","76.438","0.003","66.324","0.003","62.151","0.003","2697.17","0.18","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C49 H49 Br2 Cl9 N2 O6 -","- C49 H49 Br2 Cl9 N2 O6 -","- C98 H98 Br4 Cl18 N4 O12 -","2","1","","Leventis, Anastasia; Royakkers, Jeroen; Rapidis, Alexandros G.; Goodeal, Niall; Corpinot, Merina K.; Frost, Jarvist M.; Bučar, Dejan-Krešimir; Blunt, Matthew Oliver; Cacialli, Franco; Bronstein, Hugo","Highly Luminescent Encapsulated Narrow Bandgap Polymers Based on Diketopyrrolopyrrole.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13447","","","1.5418","CuKα","","0.0523","0.0432","","","0.1065","0.1133","","","","","","1.048","","","","has coordinates,has disorder","205587","2020-10-21","18:00:00",""
"4127084","14.86732","0.00011","5.21106","0.00005","9.70206","0.0001","90","","90","","90","","751.662","0.012","723","","723","","","","","","","","","5","C c m 21","C 2c -2c","36","","","RbNaMgP2O7","- Mg Na O7 P2 Rb -","- Mg Na O7 P2 Rb -","- Mg4 Na4 O28 P8 Rb4 -","4","0.5","","Zhao, Sangen; Yang, Xiaoyan; Yang, Yi; Kuang, Xiaojun; Lu, Fengqi; Shan, Pai; Sun, Zhihua; Lin, Zheshuai; Hong, Maochun; Luo, Junhua","Non-Centrosymmetric RbNaMgP2O7 with Unprecedented Thermo-Induced Enhancement of Second Harmonic Generation.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12518","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","205588","2020-10-21","18:00:00",""
"4127085","14.7162","0.0009","5.1614","0.0002","9.5143","0.0005","90","","90","","90","","722.67","0.06","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Mg Na O7 P2 Rb -","- Mg Na O7 P2 Rb -","- Mg4 Na4 O28 P8 Rb4 -","4","1","","Zhao, Sangen; Yang, Xiaoyan; Yang, Yi; Kuang, Xiaojun; Lu, Fengqi; Shan, Pai; Sun, Zhihua; Lin, Zheshuai; Hong, Maochun; Luo, Junhua","Non-Centrosymmetric RbNaMgP2O7 with Unprecedented Thermo-Induced Enhancement of Second Harmonic Generation.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12518","","","0.71073","MoKα","","0.0331","0.0288","","","0.0646","0.0671","","","","","","1.072","","","","has coordinates","205589","2020-10-21","18:00:00",""
"4127086","13.169","0.006","13.674","0.006","14.98","0.006","90","","100.599","0.006","90","","2651","2","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 N2 O3 Pd -","- C29 H34 N2 O3 Pd -","- C116 H136 N8 O12 Pd4 -","4","1","","Yasuda, Hina; Nakano, Ryo; Ito, Shingo; Nozaki, Kyoko","Palladium/IzQO-Catalyzed Coordination-Insertion Copolymerization of Ethylene and 1,1-Disubstituted Ethylenes Bearing a Polar Functional Group.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12593","","","0.71075","MoKα","","0.0623","0.0529","","","0.0915","0.0956","","","","","","1.136","","","","has coordinates","205650","2020-10-21","18:00:00",""
"4127087","6.6513","0.0004","9.3115","0.0005","24.8763","0.0013","90","","90","","90","","1540.68","0.15","100","2","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C76 H96 O8 -","- C76 H96 O8 -","- C76 H96 O8 -","1","0.25","","Robinson, Emily E.; Thomson, Regan J.","A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13234","","","1.54184","CuKα","","0.0271","0.0265","","","0.0676","0.0684","","","","","","1.055","","","","has coordinates","205651","2020-10-21","18:00:00",""
"4127088","7.3044","0.0003","8.2583","0.0003","17.9776","0.0007","90","","90","","90","","1084.44","0.07","100","2","99.99","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C56 H56 O8 -","- C56 H56 O8 -","- C56 H56 O8 -","1","0.25","","Robinson, Emily E.; Thomson, Regan J.","A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13234","","","1.54184","CuKα","","0.0231","0.023","","","0.0586","0.0586","","","","","","1.061","","","","has coordinates","205652","2020-10-21","18:00:00",""
"4127089","7.4122","0.0002","7.4122","0.0002","19.6939","0.0006","90","","90","","90","","1082","0.05","100","2","100.02","","","","","","","","","3","P 41","P 4w","76","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Robinson, Emily E.; Thomson, Regan J.","A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13234","","","1.54178","CuKα","","0.032","0.0309","","","0.0786","0.0792","","","","","","1.056","","","","has coordinates","205653","2020-10-21","18:00:00",""
"4127090","5.2697","0.0003","13.1048","0.0007","10.231","0.0006","90","","94.186","0.002","90","","704.65","0.07","100","2","99.98","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H48 O4 -","- C32 H48 O4 -","- C32 H48 O4 -","1","0.5","","Robinson, Emily E.; Thomson, Regan J.","A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13234","","","1.54184","CuKα","","0.0324","0.0315","","","0.0856","0.0867","","","","","","1.077","","","","has coordinates","205654","2020-10-21","18:00:00",""
"4127091","8.435","0.0005","9.5257","0.0006","17.6838","0.0012","90","","100.651","0.005","90","","1396.4","0.16","100","2","100.02","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O2 -","- C16 H24 O2 -","- C64 H96 O8 -","4","2","","Robinson, Emily E.; Thomson, Regan J.","A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13234","","","1.54184","CuKα","","0.0458","0.0368","","","0.0925","0.0995","","","","","","1.049","","","","has coordinates","205655","2020-10-21","18:00:00",""
"4127092","6.9791","0.0004","10.6982","0.0006","17.2052","0.0009","90","","90","","90","","1284.61","0.12","100","2","99.97","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C64 H72 O8 -","- C64 H72 O8 -","- C64 H72 O8 -","1","0.25","","Robinson, Emily E.; Thomson, Regan J.","A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13234","","","1.54184","CuKα","","0.0387","0.0302","","","0.0629","0.0653","","","","","","0.98","","","","has coordinates","205656","2020-10-21","18:00:00",""
"4127093","5.7746","0.0004","10.8182","0.0007","20.824","0.0013","90","","90","","90","","1300.89","0.15","100","2","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C64 H72 O8 -","4","1","","Robinson, Emily E.; Thomson, Regan J.","A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13234","","","1.54178","CuKα","","0.0254","0.0253","","","0.0647","0.0648","","","","","","1.058","","","","has coordinates","205657","2020-10-21","18:00:00",""
"4127094","20.1183","0.0006","14.0176","0.0004","19.1001","0.0006","90","","90","","90","","5386.4","0.3","100","0.1","100","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C55.5 H47.25 F12 N5.75 O2 P2 -","- C55.5 H47.25 F12 N5.75 O2 P2 -","- C222 H189 F48 N23 O8 P8 -","4","1","","Wei, Peifa; Zhang, Jing-Xuan; Zhao, Zheng; Chen, Yuncong; He, Xuewen; Chen, Ming; Gong, Junyi; Sung, Herman H.-Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Multiple yet Controllable Photoswitching in a Single AIEgen System.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13364","","x-ray","1.54184","CuKα","","0.1334","0.088","","","0.2059","0.2296","","","","","","1.011","","","","has coordinates,has disorder","205783","2020-10-21","18:00:00",""
"4127095","7.522","0.0003","28.664","0.0007","9.5331","0.0003","90","","90","","90","","2055.44","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H19 I N2 O -","- C26 H19 I N2 O -","- C104 H76 I4 N8 O4 -","4","1","","Wei, Peifa; Zhang, Jing-Xuan; Zhao, Zheng; Chen, Yuncong; He, Xuewen; Chen, Ming; Gong, Junyi; Sung, Herman H.-Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Multiple yet Controllable Photoswitching in a Single AIEgen System.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13364","","x-ray","1.54184","CuKα","","0.038","0.0314","","","0.0673","0.07","","","","","","1.002","","","","has coordinates","205784","2020-10-21","18:00:00",""
"4127096","8.9865","0.0004","9.1599","0.0005","10.2998","0.0005","92.973","0.004","93.628","0.004","109.163","0.005","796.87","0.07","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Br N O -","- C20 H14 Br N O -","- C40 H28 Br2 N2 O2 -","2","1","","Wei, Peifa; Zhang, Jing-Xuan; Zhao, Zheng; Chen, Yuncong; He, Xuewen; Chen, Ming; Gong, Junyi; Sung, Herman H.-Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Multiple yet Controllable Photoswitching in a Single AIEgen System.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13364","","x-ray","1.54184","CuKα","","0.0211","0.0205","","","0.051","0.0514","","","","","","1.004","","","","has coordinates","205785","2020-10-21","18:00:00",""
"4127097","6.66937","0.00016","34.1143","0.0008","6.96815","0.00015","90","","96.866","0.002","90","","1574.03","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Br N O -","- C20 H14 Br N O -","- C80 H56 Br4 N4 O4 -","4","1","","Wei, Peifa; Zhang, Jing-Xuan; Zhao, Zheng; Chen, Yuncong; He, Xuewen; Chen, Ming; Gong, Junyi; Sung, Herman H.-Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Multiple yet Controllable Photoswitching in a Single AIEgen System.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13364","","x-ray","1.54184","CuKα","","0.0318","0.0262","","","0.0606","0.063","","","","","","1.003","","","","has coordinates","205786","2020-10-21","18:00:00",""
"4127098","6.67174","0.00013","39.4337","0.001","7.0432","0.0002","90","","99.304","0.003","90","","1828.63","0.08","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C100 H72 N8 O4 -","4","2","","Wei, Peifa; Zhang, Jing-Xuan; Zhao, Zheng; Chen, Yuncong; He, Xuewen; Chen, Ming; Gong, Junyi; Sung, Herman H.-Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Multiple yet Controllable Photoswitching in a Single AIEgen System.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13364","","x-ray","1.54184","CuKα","","0.0461","0.0398","","","0.0992","0.1032","","","","","","1.003","","","","has coordinates","205787","2020-10-21","18:00:00",""
"4127099","7.8457","0.0007","9.6282","0.0008","16.7749","0.0013","96.028","0.007","102.045","0.007","104.758","0.007","1181.51","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 I N2 O2 -","- C27 H25 I N2 O2 -","- C54 H50 I2 N4 O4 -","2","1","","Wei, Peifa; Zhang, Jing-Xuan; Zhao, Zheng; Chen, Yuncong; He, Xuewen; Chen, Ming; Gong, Junyi; Sung, Herman H.-Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Multiple yet Controllable Photoswitching in a Single AIEgen System.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13364","","x-ray","1.54184","CuKα","","0.0498","0.0397","","","0.0884","0.0931","","","","","","1.003","","","","has coordinates","205788","2020-10-21","18:00:00",""
"4127100","13.991","0.002","19.61","0.003","14.167","0.002","90","","99.514","0.003","90","","3833.4","1","100","2","100","2","","","","","","","dichloromethane,hexane,toluene","8","P 1 21/n 1","-P 2yn","14","","pentamethylcyclopentadienyl-C,C,N-(1-(N-phenylbenzene-2-yl-(-carboximidamide)- 1,1-di(4-methoxyphenyl)-methyl)-rhodium(iii) hexaflurorantimonate(vi) dichloromethane solvate","","- C39 H42 Cl2 F6 N2 O2 Rh Sb -","- C39 H42 Cl2 F6 N2 O2 Rh Sb -","- C156 H168 Cl8 F24 N8 O8 Rh4 Sb4 -","4","1","","Tindall, Daniel J.; Werlé, Christophe; Goddard, Richard; Philipps, Petra; Farès, Christophe; Fürstner, Alois","Structure and Reactivity of Half-Sandwich Rh(+3) and Ir(+3) Carbene Complexes. Catalytic Metathesis of Azobenzene Derivatives.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12673","","","0.71073","Mo-Kα","","0.0724","0.0387","","","0.0907","0.1039","","","","","","1.018","","","","has coordinates,has disorder","205915","2020-10-21","18:00:00",""
"4127101","11.506","0.006","9.469","0.005","22.8","0.012","90","","96.645","0.009","90","","2467","2","100","2","100","2","","","","","","","dichloromethane, toluene","5","P 1 21/c 1","-P 2ybc","14","","Pentamethylcyclopentadienyl-chloro-C,N-(N-phenylbenzene-2-yl-carboximidamide)- rhodium(iii) dichloromethane solvate","","- C24 H28 Cl3 N2 Rh -","- C24 H28 Cl3 N2 Rh -","- C96 H112 Cl12 N8 Rh4 -","4","1","","Tindall, Daniel J.; Werlé, Christophe; Goddard, Richard; Philipps, Petra; Farès, Christophe; Fürstner, Alois","Structure and Reactivity of Half-Sandwich Rh(+3) and Ir(+3) Carbene Complexes. Catalytic Metathesis of Azobenzene Derivatives.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12673","","","0.71073","Mo-Kα","","0.0399","0.0278","","","0.0602","0.0646","","","","","","1.027","","","","has coordinates","205915","2020-10-21","18:00:00",""
"4127102","37.6824","0.0014","7.8512","0.0014","11.2312","0.0016","90","","105.473","0.009","90","","3202.3","0.8","200","2","200","2","","","","","","","hexane, ethylacetate","3","C 1 2/c 1","-C 2yc","15","","methyl (2SR,3SR)-2-(4-methoxyphenyl)-3-(4-methoxyphenyl)oxirane- 2-carboxylate","","- C18 H18 O5 -","- C18 H18 O5 -","- C144 H144 O40 -","8","1","","Tindall, Daniel J.; Werlé, Christophe; Goddard, Richard; Philipps, Petra; Farès, Christophe; Fürstner, Alois","Structure and Reactivity of Half-Sandwich Rh(+3) and Ir(+3) Carbene Complexes. Catalytic Metathesis of Azobenzene Derivatives.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12673","","","0.71073","MoKα","","0.1116","0.0878","","","0.2735","0.2854","","","","","","1.141","","","","has coordinates","205915","2020-10-21","18:00:00",""
"4127103","12.019","0.004","17.353","0.006","12.382","0.004","90","","108.324","0.007","90","","2451.5","1.4","100","2","100","2","","","","","","","dichloromethane/pentane/hexane/toluol/PhF","5","P 1 21/n 1","-P 2yn","14","","pentamethylcyclopentadienyl-1,1-bis(4-dimethylamino-phenyl)-methylidenyl- dichloro-dirhodium","","- C27 H35 Cl2 N2 Rh -","- C27 H35 Cl2 N2 Rh -","- C108 H140 Cl8 N8 Rh4 -","4","1","","Tindall, Daniel J.; Werlé, Christophe; Goddard, Richard; Philipps, Petra; Farès, Christophe; Fürstner, Alois","Structure and Reactivity of Half-Sandwich Rh(+3) and Ir(+3) Carbene Complexes. Catalytic Metathesis of Azobenzene Derivatives.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12673","","","0.71073","Mo-Kα","","0.0775","0.0447","","","0.1026","0.1178","","","","","","1.015","","","","has coordinates","205915","2020-10-21","18:00:00",""
"4127104","7.2928","0.0004","15.6093","0.001","22.328","0.002","90","","98.064","0.006","90","","2516.6","0.3","100","2","100","2","","","","","","","pentane,toluene","6","P 1 21/n 1","-P 2yn","14","","pentamethylcyclopentadienyl-dichloro-4-methoxyphenyl-methoxycarbonyl- methylidenyl-iridium(iii) fluorobenzene solute","","- C26 H30 Cl2 F Ir O3 -","- C26 H30 Cl2 F Ir O3 -","- C104 H120 Cl8 F4 Ir4 O12 -","4","1","","Tindall, Daniel J.; Werlé, Christophe; Goddard, Richard; Philipps, Petra; Farès, Christophe; Fürstner, Alois","Structure and Reactivity of Half-Sandwich Rh(+3) and Ir(+3) Carbene Complexes. Catalytic Metathesis of Azobenzene Derivatives.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12673","","","0.71073","MoKα","","0.027","0.0234","","","0.0622","0.0656","","","","","","1.084","","","","has coordinates,has disorder","205915","2020-10-21","18:00:00",""
"4127105","7.4952","0.0006","8.8229","0.0006","21.5293","0.0016","80.003","0.001","84.28","0.001","79.06","0.001","1373.34","0.18","200","2","200","2","","","","","","","dichloromethane,pentan","6","P -1","-P 1","2","","pentamethylcyclopentadienyl-diiodo-1-(4-methoxycarbonylphenyl)- 1-(ethoxycarbonyl)methylidenyl-iridium(iii) dichloromethane solvate","","- C23 H29 Cl2 I2 Ir O4 -","- C23 H29 Cl2 I2 Ir O4 -","- C46 H58 Cl4 I4 Ir2 O8 -","2","1","","Tindall, Daniel J.; Werlé, Christophe; Goddard, Richard; Philipps, Petra; Farès, Christophe; Fürstner, Alois","Structure and Reactivity of Half-Sandwich Rh(+3) and Ir(+3) Carbene Complexes. Catalytic Metathesis of Azobenzene Derivatives.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12673","","","0.71073","Mo-Kα","","0.0274","0.0231","","","0.0495","0.0512","","","","","","1.036","","","","has coordinates","205915","2020-10-21","18:00:00",""
"4127106","8.6637","0.0003","17.1329","0.0015","11.7442","0.0012","90","","98.388","0.004","90","","1724.6","0.2","100","2","100","2","","","","","","","dichloromethane, pentane","5","P 1 21/n 1","-P 2yn","14","","1,5-cyclooctadienyl-chloro-4-methoxyphenyl-methoxycarbonyl- methylidenyl-iridium(i)","","- C18 H22 Cl Ir O3 -","- C18 H22 Cl Ir O3 -","- C72 H88 Cl4 Ir4 O12 -","4","1","","Tindall, Daniel J.; Werlé, Christophe; Goddard, Richard; Philipps, Petra; Farès, Christophe; Fürstner, Alois","Structure and Reactivity of Half-Sandwich Rh(+3) and Ir(+3) Carbene Complexes. Catalytic Metathesis of Azobenzene Derivatives.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12673","","","0.71073","MoKα","","0.0453","0.0311","","","0.0681","0.0747","","","","","","1.052","","","","has coordinates","205915","2020-10-21","18:00:00",""
"4127107","8.1965","0.0012","8.3165","0.0012","9.3034","0.0013","86.02","0.003","76.842","0.002","80.632","0.002","608.95","0.15","100","2","100","2","","","","","","","pentane","4","P -1","-P 1","2","","methyl ((phenyl)imino)(phenyl)acetate","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C30 H26 N2 O4 -","2","1","","Tindall, Daniel J.; Werlé, Christophe; Goddard, Richard; Philipps, Petra; Farès, Christophe; Fürstner, Alois","Structure and Reactivity of Half-Sandwich Rh(+3) and Ir(+3) Carbene Complexes. Catalytic Metathesis of Azobenzene Derivatives.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12673","","","0.71073","Mo-Kα","","0.0646","0.0477","","","0.1298","0.1428","","","","","","1.044","","","","has coordinates","205915","2020-10-21","18:00:00",""
"4127108","10.248","0.002","9.5803","0.0019","18.801","0.004","90","","92.79","0.03","90","","1843.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-1,2-diphenyl-3-methoxyphenyl-3-methoxycarbonyl-diaziridine","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Tindall, Daniel J.; Werlé, Christophe; Goddard, Richard; Philipps, Petra; Farès, Christophe; Fürstner, Alois","Structure and Reactivity of Half-Sandwich Rh(+3) and Ir(+3) Carbene Complexes. Catalytic Metathesis of Azobenzene Derivatives.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12673","","","0.71073","MoKα","","0.0936","0.0734","","","0.1724","0.1829","","","","","","1.146","","","","has coordinates","205915","2020-10-21","18:00:00",""
"4127109","14.0392","0.0009","14.0392","0.0009","14.1531","0.001","90","","90","","120","","2415.8","0.3","293","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","Copper Iodide Selenium","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Lin, Wenwen; Stoumpos, Constantinos C.; Kontsevoi, Oleg Y.; Liu, Zhifu; He, Yihui; Das, Sanjib; Xu, Yadong; McCall, Kyle M.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cu2I2Se6: A Metal-Inorganic-Framework Wide-bandgap Semiconductor for Photon Detection at Room Temperature.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12549","","x-ray","0.71073","MoKα","","0.0263","0.0244","","","0.0493","0.0496","","","","1.8","1.8","1.78","","","","has coordinates","205916","2020-10-21","18:00:00",""
"4127110","5.8341","0.0014","7.2548","0.0017","9.786","0.002","73.026","0.004","88.581","0.005","81.081","0.005","391.27","0.15","131","2","131","2","","","","","","","","4","P -1","-P 1","2","","","","- Am Cr2 Cs O8 -","- Am Cr2 Cs O8 -","- Am2 Cr4 Cs2 O16 -","2","1","","Galley, Shane S.; Arico, Alexandra A.; Lee, Tsung-Han; Deng, Xiaoyu; Yao, Yong-Xin; Sperling, Joseph M.; Proust, Vanessa; Storbeck, Julia S.; Dobrosavljevic, Vladimir; Neu, Jennifer N.; Siegrist, Theo; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E; Kaltsoyannis, Nikolas; Lanatà, Nicola","Uncovering the Origin of Divergence in the CsM(CrO4)2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09474","","","0.71073","MoKα","","0.0278","0.0218","","","0.0456","0.0471","","","","","","1.074","","","","has coordinates","205917","2020-10-21","18:00:00",""
"4127111","9.1759","0.0011","5.5211","0.0006","7.7323","0.0009","90","","98.691","0.002","90","","387.23","0.08","137","2","137","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Am Cr2 Cs O8 -","- Am Cr2 Cs O8 -","- Am2 Cr4 Cs2 O16 -","2","0.5","","Galley, Shane S.; Arico, Alexandra A.; Lee, Tsung-Han; Deng, Xiaoyu; Yao, Yong-Xin; Sperling, Joseph M.; Proust, Vanessa; Storbeck, Julia S.; Dobrosavljevic, Vladimir; Neu, Jennifer N.; Siegrist, Theo; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E; Kaltsoyannis, Nikolas; Lanatà, Nicola","Uncovering the Origin of Divergence in the CsM(CrO4)2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09474","","","0.71073","MoKα","","0.0198","0.0185","","","0.045","0.0459","","","","","","1.045","","","","has coordinates","205917","2020-10-21","18:00:00",""
"4127112","9.3329","0.001","7.5558","0.0008","11.215","0.0012","90","","91.6","0.002","90","","790.55","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cr4 Cs2 La2 O16 -","- Cr4 Cs2 La2 O16 -","- Cr8 Cs4 La4 O32 -","2","0.5","","Galley, Shane S.; Arico, Alexandra A.; Lee, Tsung-Han; Deng, Xiaoyu; Yao, Yong-Xin; Sperling, Joseph M.; Proust, Vanessa; Storbeck, Julia S.; Dobrosavljevic, Vladimir; Neu, Jennifer N.; Siegrist, Theo; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E; Kaltsoyannis, Nikolas; Lanatà, Nicola","Uncovering the Origin of Divergence in the CsM(CrO4)2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09474","","","0.71073","MoKα","","0.0302","0.0269","","","0.0794","0.0962","","","","","","1.201","","","","has coordinates","205917","2020-10-21","18:00:00",""
"4127113","9.324","0.004","7.5","0.003","11.134","0.005","90","","91.235","0.009","90","","778.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cr4 Cs2 O16 Pr2 -","- Cr4 Cs2 O16 Pr2 -","- Cr8 Cs4 O32 Pr4 -","2","0.5","","Galley, Shane S.; Arico, Alexandra A.; Lee, Tsung-Han; Deng, Xiaoyu; Yao, Yong-Xin; Sperling, Joseph M.; Proust, Vanessa; Storbeck, Julia S.; Dobrosavljevic, Vladimir; Neu, Jennifer N.; Siegrist, Theo; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E; Kaltsoyannis, Nikolas; Lanatà, Nicola","Uncovering the Origin of Divergence in the CsM(CrO4)2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09474","","","0.71073","MoKα","","0.0284","0.0261","","","0.0682","0.0708","","","","","","1.054","","","","has coordinates","205917","2020-10-21","18:00:00",""
"4127114","9.244","0.002","5.5676","0.0014","7.795","0.002","90","","98.785","0.006","90","","396.48","0.17","204","2","204","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cr2 Cs Nd O8 -","- Cr2 Cs Nd O8 -","- Cr4 Cs2 Nd2 O16 -","2","0.5","","Galley, Shane S.; Arico, Alexandra A.; Lee, Tsung-Han; Deng, Xiaoyu; Yao, Yong-Xin; Sperling, Joseph M.; Proust, Vanessa; Storbeck, Julia S.; Dobrosavljevic, Vladimir; Neu, Jennifer N.; Siegrist, Theo; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E; Kaltsoyannis, Nikolas; Lanatà, Nicola","Uncovering the Origin of Divergence in the CsM(CrO4)2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09474","","","0.71073","MoKα","","0.0214","0.0203","","","0.0552","0.0567","","","","","","0.742","","","","has coordinates","205917","2020-10-21","18:00:00",""
"4127115","9.1977","0.0012","5.5221","0.0007","7.7074","0.001","90","","98.818","0.003","90","","386.84","0.09","298","2","298","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cr2 Cs O8 Sm -","- Cr2 Cs O8 Sm -","- Cr4 Cs2 O16 Sm2 -","2","0.5","","Galley, Shane S.; Arico, Alexandra A.; Lee, Tsung-Han; Deng, Xiaoyu; Yao, Yong-Xin; Sperling, Joseph M.; Proust, Vanessa; Storbeck, Julia S.; Dobrosavljevic, Vladimir; Neu, Jennifer N.; Siegrist, Theo; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E; Kaltsoyannis, Nikolas; Lanatà, Nicola","Uncovering the Origin of Divergence in the CsM(CrO4)2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09474","","","0.71073","MoKα","","0.0163","0.0139","","","0.0342","0.0352","","","","","","1.084","","","","has coordinates","205917","2020-10-21","18:00:00",""
"4127116","9.1553","0.0006","5.4948","0.0004","7.6669","0.0005","90","","98.8121","0.0013","90","","381.14","0.04","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cr2 Cs Eu O8 -","- Cr2 Cs Eu O8 -","- Cr4 Cs2 Eu2 O16 -","2","0.5","","Galley, Shane S.; Arico, Alexandra A.; Lee, Tsung-Han; Deng, Xiaoyu; Yao, Yong-Xin; Sperling, Joseph M.; Proust, Vanessa; Storbeck, Julia S.; Dobrosavljevic, Vladimir; Neu, Jennifer N.; Siegrist, Theo; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E; Kaltsoyannis, Nikolas; Lanatà, Nicola","Uncovering the Origin of Divergence in the CsM(CrO4)2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09474","","","0.71073","MoKα","","0.0122","0.0117","","","0.0272","0.0273","","","","","","1.177","","","","has coordinates","205917","2020-10-21","18:00:00",""
"4127117","5.638","0.003","18.813","0.01","22.988","0.011","82.77","0.02","89.891","0.013","81.415","0.013","2391","2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H36 O2 -","- C28 H36 O2 -","- C112 H144 O8 -","4","2","","Guo, Wusheng; Kuniyil, Rositha; Gómez, José Enrique; Maseras, Feliu; Kleij, Arjan W.","A Domino Process toward Functionally Dense Quaternary Carbons through Pd-Catalyzed Decarboxylative C(sp3)-C(sp3) Bond Formation.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12608","","","0.71073","MoKα","","0.1246","0.1044","","","0.2703","0.2957","","","","","","1.05","","","","has coordinates","205977","2020-10-21","18:00:00",""
"4127118","11.844","0.003","20.328","0.005","36.842","0.009","90","","91.61","0.005","90","","8867","4","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H72 Cl Co N6 -","- C45 H72 Cl Co N6 -","- C360 H576 Cl8 Co8 N48 -","8","2","","Gao, Yafei; Li, Guangyu; Deng, Liang","Bis(dinitrogen)cobalt(-I) Complexes with NHC Ligation: Synthesis, Characterization and Their Dinitrogen Functionalization Reactions Affording Side-On Bound Diazene Complexes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11660","","","0.71073","MoKα","","0.1371","0.0836","","","0.1821","0.2088","","","","","","1.075","","","","has coordinates","205978","2020-10-21","18:00:00",""
"4127119","14.866","0.006","18.861","0.007","15.583","0.006","90","","90.484","0.008","90","","4369","3","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H72 Co N8 -","- C45 H72 Co N8 -","- C180 H288 Co4 N32 -","4","1","","Gao, Yafei; Li, Guangyu; Deng, Liang","Bis(dinitrogen)cobalt(-I) Complexes with NHC Ligation: Synthesis, Characterization and Their Dinitrogen Functionalization Reactions Affording Side-On Bound Diazene Complexes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11660","","","0.71073","MoKα","","0.1724","0.0866","","","0.2172","0.2663","","","","","","0.978","","","","has coordinates","205978","2020-10-21","18:00:00",""
"4127120","15.537","0.003","16.388","0.004","16.703","0.004","82.057","0.004","65.216","0.004","72.191","0.004","3675.9","1.5","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C67 H104 Co2 K2 N16 -","- C67 H104 Co2 K2 N16 -","- C134 H208 Co4 K4 N32 -","2","1","","Gao, Yafei; Li, Guangyu; Deng, Liang","Bis(dinitrogen)cobalt(-I) Complexes with NHC Ligation: Synthesis, Characterization and Their Dinitrogen Functionalization Reactions Affording Side-On Bound Diazene Complexes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11660","","","0.71073","MoKα","","0.0854","0.0504","","","0.1174","0.1307","","","","","","0.931","","","","has coordinates","205978","2020-10-21","18:00:00",""
"4127121","15.843","0.002","16.417","0.002","16.627","0.002","81.766","0.003","64.525","0.003","71.84","0.003","3709.4","0.8","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C67 H104 Co2 N16 Rb2 -","- C67 H104 Co2 N16 Rb2 -","- C134 H208 Co4 N32 Rb4 -","2","1","","Gao, Yafei; Li, Guangyu; Deng, Liang","Bis(dinitrogen)cobalt(-I) Complexes with NHC Ligation: Synthesis, Characterization and Their Dinitrogen Functionalization Reactions Affording Side-On Bound Diazene Complexes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11660","","","0.71073","MoKα","","0.1527","0.0526","","","0.0963","0.1161","","","","","","0.717","","","","has coordinates","205978","2020-10-21","18:00:00",""
"4127122","16.342","0.003","16.35","0.003","16.365","0.003","72.988","0.003","88.92","0.003","63.187","0.003","3698.8","1.2","130","","130","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H106 Co2 Cs2 N16 O -","- C64 H106 Co2 Cs2 N16 O -","- C128 H212 Co4 Cs4 N32 O2 -","2","1","","Gao, Yafei; Li, Guangyu; Deng, Liang","Bis(dinitrogen)cobalt(-I) Complexes with NHC Ligation: Synthesis, Characterization and Their Dinitrogen Functionalization Reactions Affording Side-On Bound Diazene Complexes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11660","","","0.71073","MoKα","","0.1213","0.0561","","","0.1113","0.1274","","","","","","0.888","","","","has coordinates","205978","2020-10-21","18:00:00",""
"4127123","12.5874","0.0018","18.994","0.003","18.792","0.003","90","","96.575","0.003","90","","4463.3","1.2","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H72 B Co F4 N6 -","- C45 H72 B Co F4 N6 -","- C180 H288 B4 Co4 F16 N24 -","4","1","","Gao, Yafei; Li, Guangyu; Deng, Liang","Bis(dinitrogen)cobalt(-I) Complexes with NHC Ligation: Synthesis, Characterization and Their Dinitrogen Functionalization Reactions Affording Side-On Bound Diazene Complexes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11660","","","0.71073","MoKα","","0.0894","0.0494","","","0.111","0.13","","","","","","1.013","","","","has coordinates","205978","2020-10-21","18:00:00",""
"4127124","12.7838","0.0012","18.2289","0.0018","20.971","0.002","102.495","0.002","90.43","0.002","98.117","0.002","4719.8","0.8","130","","130","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H72 Co K N8 O6 -","- C42 H72 Co K N8 O6 -","- C168 H288 Co4 K4 N32 O24 -","4","2","","Gao, Yafei; Li, Guangyu; Deng, Liang","Bis(dinitrogen)cobalt(-I) Complexes with NHC Ligation: Synthesis, Characterization and Their Dinitrogen Functionalization Reactions Affording Side-On Bound Diazene Complexes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11660","","","0.71073","MoKα","","0.1061","0.0617","","","0.1552","0.1853","","","","","","1.007","","","","has coordinates,has disorder","205978","2020-10-21","18:00:00",""
"4127125","13.9237","0.001","16.5878","0.0012","18.4899","0.0014","90","","110.828","0.002","90","","3991.4","0.5","130","","130","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H66 Co N6 Si2 -","- C36 H66 Co N6 Si2 -","- C144 H264 Co4 N24 Si8 -","4","0.5","","Gao, Yafei; Li, Guangyu; Deng, Liang","Bis(dinitrogen)cobalt(-I) Complexes with NHC Ligation: Synthesis, Characterization and Their Dinitrogen Functionalization Reactions Affording Side-On Bound Diazene Complexes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11660","","","0.71073","MoKα","","0.0777","0.055","","","0.1281","0.1427","","","","","","1.038","","","","has coordinates","205978","2020-10-21","18:00:00",""
"4127126","22.367","0.003","12.0335","0.0019","18.857","0.005","90","","118.407","0.002","90","","4464.3","1.5","130","","130","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H78 Co N6 Si2 -","- C42 H78 Co N6 Si2 -","- C168 H312 Co4 N24 Si8 -","4","0.5","","Gao, Yafei; Li, Guangyu; Deng, Liang","Bis(dinitrogen)cobalt(-I) Complexes with NHC Ligation: Synthesis, Characterization and Their Dinitrogen Functionalization Reactions Affording Side-On Bound Diazene Complexes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11660","","","0.71073","MoKα","","0.0931","0.043","","","0.0883","0.1057","","","","","","1.002","","","","has coordinates","205978","2020-10-21","18:00:00",""
"4127127","8.6341","0.0012","22.668","0.003","11.4074","0.0016","90","","108.945","0.002","90","","2111.7","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 Ir N2 O3 -","- C23 H31 Ir N2 O3 -","- C92 H124 Ir4 N8 O12 -","4","1","","Gao, Yang; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Selective Dehydrogenative Coupling of Ethylene to Butadiene via an Iridacyclopentane Complex.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11689","","","0.71073","MoKα","","0.05","0.0456","","","0.1029","0.1049","","","","","","1.187","","","","has coordinates,has disorder","205979","2020-10-21","18:00:00",""
"4127128","33.9622","0.0003","33.9622","0.0003","83.175","0.002","90","","90","","120","","83084","2","100.15","","100.15","","","","","","","","","7","R 3 2","R 3 2""","155","","","","- C240 H264 Cl6 Mn6 N12 O55.5 Zr12 -","- C240 H264 Cl6 Mn6 N12 O55.5 Zr12 -","- C1440 H1584 Cl36 Mn36 N72 O333 Zr72 -","6","","","Jiao, Jingjing; Tan, Chunxia; Li, Zijian; Liu, Yan; Han, Xing; Cui, Yong","Design and Assembly of Chiral Coordination Cages for Asymmetric Sequential Reactions.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11679","","","1.54178","CuKα","","0.1716","0.1242","","","0.3039","0.3724","","","","","","1.232","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4127129","34.2265","0.0014","34.2265","0.0014","83.822","0.004","90","","90","","120","","85038","6","100.15","","100.15","","","","","","","","","7","R 3 2","R 3 2""","155","","","","- C480 H528 Cl12 Cr12 N24 O105 Zr24 -","- C480 H528 Cl12 Cr12 N24 O105 Zr24 -","- C1440 H1584 Cl36 Cr36 N72 O315 Zr72 -","3","","","Jiao, Jingjing; Tan, Chunxia; Li, Zijian; Liu, Yan; Han, Xing; Cui, Yong","Design and Assembly of Chiral Coordination Cages for Asymmetric Sequential Reactions.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11679","","","1.54178","CuKα","","0.1963","0.0965","","","0.249","0.3501","","","","","","1.056","","","","has coordinates,has disorder","205981","2020-10-21","18:00:00",""
"4127130","14.8536","0.0007","19.2068","0.0009","27.2452","0.0013","90","","94.2703","0.0015","90","","7751.2","0.6","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","CH-I-305A","","","- C24 H28 F N O -","- C24 H28 F N O -","- C384 H448 F16 N16 O16 -","16","4","","Heinz, Christoph; Lutz, J. Patrick; Simmons, Eric M.; Miller, Michael M.; Ewing, William R.; Doyle, Abigail G.","A Ni-Catalyzed Carbon-Carbon Bond-Forming Reductive Amination.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12212","","","0.71073","MoKα","","0.0634","0.0421","","","0.0931","0.1032","","","","","","1.025","","","","has coordinates","206045","2020-10-21","18:00:00",""
"4127131","12.587","0.005","12.708","0.005","18.55","0.008","90","","101.244","0.014","90","","2910","2","100","","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C48 H70 F6 N2 Sb -","- C48 H70 F6 N2 Sb -","- C96 H140 F12 N4 Sb2 -","2","1","","Hansmann, Max M.; Melaimi, Mohand; Bertrand, Guy","Organic Mixed Valence Compounds Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11184","","x-ray","0.71073","MoKα","","0.0306","0.0279","","","0.0678","0.069","","","","","","1.039","","","","has coordinates","206046","2020-10-21","18:00:00",""
"4127132","9.311","0.002","13.035","0.003","14.124","0.003","98.484","0.007","93.383","0.007","96.918","0.007","1678","0.6","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C68 H98 F6 N2 O Sb -","- C68 H98 F6 N2 O Sb -","- C68 H98 F6 N2 O Sb -","1","1","","Hansmann, Max M.; Melaimi, Mohand; Bertrand, Guy","Organic Mixed Valence Compounds Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11184","","x-ray","0.71073","MoKα","","0.0292","0.0283","","","0.0681","0.0687","","","","","","1.049","","","","has coordinates,has disorder","206047","2020-10-21","18:00:00",""
"4127133","12.9197","0.0007","17.4852","0.0009","20.7494","0.0011","105.21","0.003","98.201","0.003","90.612","0.003","4471.2","0.4","100","","100","2","","","","","","","","7","P -1","-P 1","2","[{Co(NPtBu3)}4][B(C6F5)4]","","","- C81.68 H114.45 B Co4 F23.23 N4 P4 -","- C81.672 H114.448 B Co4 F23.224 N4 P4 -","- C163.344 H228.896 B2 Co8 F46.448 N8 P8 -","2","1","","Chakarawet, Khetpakorn; Bunting, Philip C.; Long, Jeffrey R.","Large Anisotropy Barrier in a Tetranuclear Single-Molecule Magnet Featuring Low-Coordinate Cobalt Centers.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13394","","","0.7749","synchrotron","","0.0745","0.0556","","","0.1509","0.1642","","","","","","1.035","","","","has coordinates,has disorder","206048","2020-10-21","18:00:00",""
"4127134","25.681","0.002","14.156","0.001","10.7814","0.0008","90","","92.639","0.007","90","","3915.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C214 H160 N16 Ni4 -","- C214 H160 N16 Ni4 -","- C214 H160 N16 Ni4 -","1","0.25","","Martin, Ruben; Tortajada Navarro, Andreu; Ninokata, Ryo","Ni-Catalyzed Site-Selective Dicarboxylation of 1,3-Dienes with CO2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13220","","","0.7107","MoKα","","0.153","0.0686","","","0.1235","0.1507","","","","","","1.019","","","","has coordinates,has disorder","206049","2020-10-21","18:00:00",""
"4127135","11.7813","0.0014","13.5251","0.0017","19.854","0.003","89.326","0.003","89.533","0.003","79.092","0.003","3106.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H49 Ni O2 P -","- C35 H49 Ni O2 P -","- C140 H196 Ni4 O8 P4 -","4","2","","Martin, Ruben; Tortajada Navarro, Andreu; Ninokata, Ryo","Ni-Catalyzed Site-Selective Dicarboxylation of 1,3-Dienes with CO2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13220","","","0.71073","MoKα","","0.0956","0.0623","","","0.1515","0.1741","","","","","","1.012","","","","has coordinates","206050","2020-10-21","18:00:00",""
"4127136","7.351","0.0004","6.8049","0.0004","18.1326","0.0011","90","","92.015","0.003","90","","906.48","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C40 H40 N4 O10 -","2","1","","Huo, Xiaohong; Zhang, Jiacheng; Fu, Jingke; He, Rui; Zhang, Wanbin","Ir/Cu Dual Catalysis: Enantio- and Diastereodivergent Access to α,α-Disubstituted α-Amino Acids Bearing Vicinal Stereocenters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00187","","","1.54178","CuKα","","0.1214","0.1194","","","0.3381","0.339","","","","","","1.093","","","","has coordinates","206142","2020-10-21","18:00:00",""
"4127137","13.191","0.001","13.834","0.001","44.31","0.004","83.48","0.01","86.27","0.01","68.57","0.01","7475.7","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C108 H10 F48 Y2 -","- C108 H10 F48 Y2 -","- C432 H40 F192 Y8 -","4","2","","Jin, Fei; Tamm, Nadezhda B.; Troyanov, Sergey I.; Yang, Shangfeng","Steering the Geometry of Butterfly-Shaped Dimetal Carbide Cluster within a Carbon Cage via Trifluoromethylation of Y2C2@C82(6).","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12925","","","0.895","synchrotron","","0.364","0.1439","","","0.3012","0.3424","","","","","","1.156","","","","has coordinates","206198","2020-10-21","18:00:00",""
"4127138","12.738","0.001","16.51","0.001","20.667","0.002","74.73","0.01","82.24","0.01","75.14","0.01","4042.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C107 H8 F48 Y2 -","- C107 F48 Y2 -","- C214 F96 Y4 -","2","1","","Jin, Fei; Tamm, Nadezhda B.; Troyanov, Sergey I.; Yang, Shangfeng","Steering the Geometry of Butterfly-Shaped Dimetal Carbide Cluster within a Carbon Cage via Trifluoromethylation of Y2C2@C82(6).","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12925","","","0.895","synchrotron","","0.2298","0.1059","","","0.2345","0.27","","","","","","1.065","","","","has coordinates","206199","2020-10-21","18:00:00",""
"4127139","7.2745","0.0015","10.702","0.002","23.579","0.005","90","","90","","90","","1835.7","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl F3 N2 O -","- C21 H16 Cl F3 N2 O -","- C84 H64 Cl4 F12 N8 O4 -","4","1","","Uraguchi, Daisuke; Sasaki, Hitoshi; Kimura, Yuto; Ito, Takaki; Ooi, Takashi","Molecular Design, Synthesis, and Asymmetric Catalysis of a Hexacoordinated Chiral Phosphate Ion.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13433","","","0.71075","MoKα","","0.0425","0.0343","","","0.0772","0.0797","","","","","","0.968","","","","has coordinates","206200","2020-10-21","18:00:00",""
"4127140","15.148","0.005","8.809","0.003","16.41","0.006","90","","90","","90","","2189.7","1.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H24 Cl2 N2 O5 -","- C20 H24 Cl2 N2 O5 -","- C80 H96 Cl8 N8 O20 -","4","1","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0527","0.0491","","","0.1429","0.1545","","","","","","1.096","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127141","7.97","0.005","20.888","0.013","11.68","0.006","90","","132.84","0.03","90","","1425.8","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cl2 N4 O4 -","- C30 H30 Cl2 N4 O4 -","- C60 H60 Cl4 N8 O8 -","2","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.1109","0.072","","","0.2367","0.2787","","","","","","0.93","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127142","8.082","0.009","21.71","0.02","11.352","0.009","90","","134.41","0.05","90","","1423","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl2 N2 O4 S2 -","- C28 H28 Cl2 N2 O4 S2 -","- C56 H56 Cl4 N4 O8 S4 -","2","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.1144","0.0995","","","0.2777","0.2876","","","","","","1.091","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127143","8.448","0.006","20.265","0.015","8.531","0.006","90","","92.855","0.009","90","","1458.7","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cl2 N2 O4 -","- C32 H32 Cl2 N2 O4 -","- C64 H64 Cl4 N4 O8 -","2","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0836","0.0642","","","0.1662","0.1861","","","","","","1.161","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127144","7.613","0.005","24.219","0.017","13.079","0.009","90","","92.27","0.011","90","","2410","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Cl N2 O2 -","- C28 H27 Cl N2 O2 -","- C112 H108 Cl4 N8 O8 -","4","1","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.1097","0.0992","","","0.2655","0.284","","","","","","1.125","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127145","7.827","0.004","24.98","0.012","12.481","0.006","90","","91.576","0.005","90","","2439","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cl N2 O2 -","- C30 H27 Cl N2 O2 -","- C120 H108 Cl4 N8 O8 -","4","1","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.119","0.0787","","","0.1942","0.2284","","","","","","1.213","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127146","7.542","0.007","8.824","0.008","14.579","0.014","97.863","0.013","95.939","0.015","92.493","0.01","954.3","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 Cl2 N6 O4 -","- C42 H42 Cl2 N6 O4 -","- C42 H42 Cl2 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0858","0.0614","","","0.1515","0.1709","","","","","","1.072","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127147","7.522","0.007","8.82","0.008","14.383","0.014","97.218","0.015","94.706","0.012","92.604","0.016","942","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Cl2 N6 O4 -","- C42 H40 Cl2 N6 O4 -","- C42 H40 Cl2 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0688","0.0577","","","0.1548","0.1651","","","","","","1.067","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127148","7.542","0.007","8.625","0.008","14.89","0.013","97.722","0.013","97.118","0.016","94.181","0.014","948.5","1.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 Cl2 N4 O4 S2 -","- C39.9982 H38 Cl2 N4 O4 S2.0018 -","- C39.9982 H38 Cl2 N4 O4 S2.0018 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0664","0.0569","","","0.154","0.1635","","","","","","1.068","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127149","7.574","0.007","8.936","0.009","14.572","0.015","97.653","0.014","98.49","0.02","91.167","0.007","965.9","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 Cl2 N4 O4 -","- C44 H44 Cl2 N4 O4 -","- C44 H44 Cl2 N4 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.084","0.0685","","","0.1935","0.2078","","","","","","1.138","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127150","7.569","0.004","8.821","0.005","14.499","0.008","97.665","0.01","96.437","0.009","91.771","0.004","952.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 Br2 N6 O4 -","- C42 H42 Br2 N6 O4 -","- C42 H42 Br2 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0492","0.0447","","","0.121","0.1307","","","","","","0.872","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127151","7.555","0.006","8.801","0.007","14.445","0.012","96.914","0.009","94.745","0.013","91.997","0.013","949.2","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.02 H45.06 Cl0.98 N6 O4 -","- C43.0196 H45.0588 Cl0.9804 N6 O4 -","- C43.0196 H45.0588 Cl0.9804 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0981","0.0747","","","0.2021","0.2165","","","","","","1.224","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127152","7.572","0.007","8.832","0.008","14.537","0.013","97.232","0.016","95.305","0.015","92.094","0.01","959.2","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42.89 H42 Cl1.11 N6 O4 -","- C42.8874 H42 Cl1.1126 N6 O4 -","- C42.8874 H42 Cl1.1126 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0731","0.0559","","","0.1574","0.173","","","","","","0.994","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127153","7.576","0.006","8.823","0.007","14.487","0.012","96.925","0.015","94.732","0.009","92","0.013","957","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.36 H46.07 Cl0.64 N6 O4 -","- C43.3552 H46.0656 Cl0.6448 N6 O4 -","- C43.3552 H46.0656 Cl0.6448 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0819","0.0605","","","0.1718","0.1908","","","","","","1.013","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127154","7.553","0.005","8.823","0.006","14.522","0.01","97.551","0.014","95.65","0.009","92.369","0.008","953.2","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42.48 H43.45 Cl1.52 N6 O4 -","- C42.4836 H43.4508 Cl1.5164 N6 O4 -","- C42.4836 H43.4508 Cl1.5164 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.058","0.0513","","","0.1712","0.1832","","","","","","0.813","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127155","7.578","0.005","8.815","0.006","14.496","0.01","96.635","0.008","94.539","0.013","91.885","0.012","958","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.63 H46.88 Cl0.37 N6 O4 -","- C43.6268 H46.8804 Cl0.3732 N6 O4 -","- C43.6268 H46.8804 Cl0.3732 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0732","0.0601","","","0.175","0.1873","","","","","","1.032","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127156","7.547","0.005","8.833","0.006","14.336","0.01","96.481","0.013","93.678","0.014","91.954","0.01","946.8","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.39 H40 Cl0.61 N6 O4 -","- C43.3862 H40 Cl0.6138 N6 O4 -","- C43.3862 H40 Cl0.6138 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0792","0.0661","","","0.1927","0.2051","","","","","","1.071","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127157","7.634","0.006","8.818","0.007","14.583","0.011","96.905","0.012","95.339","0.012","91.548","0.009","969.6","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42.9 H44.71 Br1.1 N6 O4 -","- C42.9024 H44.7072 Br1.0976 N6 O4 -","- C42.9024 H44.7072 Br1.0976 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0795","0.0668","","","0.214","0.225","","","","","","1.035","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127158","7.591","0.005","8.81","0.006","14.596","0.01","97.483","0.013","96.098","0.011","91.895","0.009","961.3","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 Br1.03 Cl0.97 N6 O4 -","- C42 H42 Br1.0288 Cl0.9712 N6 O4 -","- C42 H42 Br1.0288 Cl0.9712 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0562","0.0473","","","0.1227","0.1297","","","","","","1.015","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127159","7.645","0.006","8.85","0.007","14.623","0.011","97.02","0.02","95.61","0.02","91.83","0.02","976.3","1.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C42.72 H42 Br0.79 Cl0.49 N6 O4 -","- C42.718 H42 Br0.7902 Cl0.4918 N6 O4 -","- C42.718 H42 Br0.7902 Cl0.4918 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0609","0.0424","","","0.1028","0.1104","","","","","","1.067","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127160","7.566","0.006","8.792","0.007","14.496","0.012","97.104","0.017","95.388","0.011","91.808","0.01","951.7","1.3","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C42.63 H42 Br0.68 Cl0.69 N6 O4 -","- C42.631 H42 Br0.681 Cl0.6884 N6 O4 -","- C42.631 H42 Br0.681 Cl0.6884 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0645","0.0552","","","0.1414","0.1472","","","","","","1.07","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127161","7.625","0.005","8.825","0.006","14.596","0.01","97.199","0.011","95.753","0.008","91.696","0.009","968.6","1.1","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C42.28 H42 Br1.17 Cl0.55 N6 O4 -","- C42.2758 H42 Br1.1714 Cl0.5532 N6 O4 -","- C42.2758 H42 Br1.1714 Cl0.5532 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0989","0.0602","","","0.1243","0.1408","","","","","","0.987","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127162","19.067","0.011","19.067","0.011","6.882","0.006","90","","90","","90","","2502","3","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C6 H5 Br0.36 Cl0.64 O2 -","- C6 H5 Br0.3598 Cl0.6402 O2 -","- C96 H80 Br5.7568 Cl10.2432 O32 -","16","","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0529","0.0445","","","0.1019","0.106","","","","","","1.134","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127163","19.231","0.002","19.231","0.002","6.9229","0.0011","90","","90","","90","","2560.3","0.6","150","2","150","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C6.19 H5 Br0.81 O2 -","- C6.1919 H5 Br0.8081 O2 -","- C99.0704 H80 Br12.9296 O32 -","16","","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0496","0.0428","","","0.1042","0.1076","","","","","","1.106","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127164","9.113","0.008","11.693","0.01","18.208","0.016","90","","92.232","0.013","90","","1939","3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20.47 H15 Cl0.53 O6 -","- C20.4715 H15 Cl0.5285 O6 -","- C81.886 H60 Cl2.114 O24 -","4","1","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0989","0.0782","","","0.2037","0.2189","","","","","","1.151","","","","has coordinates,has disorder","206201","2020-10-21","18:00:00",""
"4127165","19.153","0.002","19.153","0.002","6.9155","0.0012","90","","90","","90","","2536.9","0.6","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C6.24 H5 Br0.32 Cl0.44 O2 -","- C6.2388 H5 Br0.3182 Cl0.443 O2 -","- C99.8208 H80 Br5.0912 Cl7.088 O32 -","16","","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0677","0.0515","","","0.1265","0.1363","","","","","","1.076","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127166","8.0371","0.0008","43.43","0.002","8.4333","0.0009","90","","90.928","0.006","90","","2943.3","0.5","100","2","100","2","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C28 H35 B F3 N3 O10 -","- C28 H32.58 B F3 N3 O10 -","- C112 H130.32 B4 F12 N12 O40 -","4","1","","Sun, Xiaolong; James, Tony D.; Anslyn, Eric Van","Arresting ""Loose Bolt"" Internal Conversion from -B(OH)2 Groups is the Mechanism for Emission Turn-On in ortho-Aminomethylphenylboronic Acid-Based Saccharide Sensors.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12877","","","0.71073","MoKα","","0.0628","0.0608","","","0.1626","0.1651","","","","","","0.996","","","","has coordinates,has disorder","206202","2020-10-21","18:00:00",""
"4127167","12.2856","0.0008","6.1896","0.0004","15.4428","0.0011","90","","103.702","0.004","90","","1140.9","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H11 I O2 -","- C12 H11 I O2 -","- C48 H44 I4 O8 -","4","2","","Knowe, Matthew T.; Danneman, Michael W.; Sun, Sarah; Pink, Maren; Johnston, Jeffrey N.","Biomimetic Desymmetrization of a Carboxylic Acid","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12185","","","0.71073","MoKα","","0.0201","0.0186","","","0.0427","0.0434","","","","","","1.056","","","","has coordinates","206203","2020-10-21","18:00:00",""
"4127168","8.539","0.004","10.087","0.005","10.417","0.004","105.258","0.007","99.266","0.013","100.55","0.02","830","0.7","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C17 H21 N O2 S2 -","- C17 H21 N O2 S2 -","- C34 H42 N2 O4 S4 -","2","2","","Li, Feng; Korenaga, Toshinobu; Nakanishi, Taishi; Kikuchi, Jun; Terada, Masahiro","Chiral Phosphoric Acid Catalyzed Enantioselective Ring Expansion Reaction of 1,3-Dithiane Derivatives: Case Study of the Nature of Ion-Pairing Interaction.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13274","","","0.71075","MoKα","","0.0451","0.0415","","","0.0861","0.0891","","","","","","1.02","","","","has coordinates","206272","2020-10-21","18:00:00",""
"4127169","11.6502","0.0014","9.0241","0.0011","21.473","0.003","90","","103.373","0.007","90","","2196.3","0.5","150","","150","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H22 F3 N O S2 -","- C25 H22 F3 N O S2 -","- C100 H88 F12 N4 O4 S8 -","4","1","","Li, Feng; Korenaga, Toshinobu; Nakanishi, Taishi; Kikuchi, Jun; Terada, Masahiro","Chiral Phosphoric Acid Catalyzed Enantioselective Ring Expansion Reaction of 1,3-Dithiane Derivatives: Case Study of the Nature of Ion-Pairing Interaction.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13274","","","0.71075","MoKα","","0.0566","0.0489","","","0.1058","0.1098","","","","","","1.087","","","","has coordinates","206273","2020-10-21","18:00:00",""
"4127170","7.2579","0.0003","12.5778","0.0005","12.8986","0.0005","77.066","0.002","78.635","0.002","84.963","0.002","1123.94","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","GK2","","","- C19 H22 Cl4 N2 Sn2 -","- C19 H22 Cl4 N2 Sn2 -","- C38 H44 Cl8 N4 Sn4 -","2","1","","Kiel, Gavin R.; Samkian, Adrian E.; Nicolay, Amélie; Witzke, Ryan J.; Tilley, T. Don","Titanocene-Mediated Dinitrile Coupling: A Divergent Route to Nitrogen-Containing Polycyclic Aromatic Hydrocarbons.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13823","","","0.71073","MoKα","","0.0363","0.0299","","","0.0692","0.0722","","","","","","1.098","","","","has coordinates","206274","2020-10-21","18:00:00",""
"4127171","25.1208","0.0009","15.5044","0.0006","19.5147","0.0006","90","","95.492","0.002","90","","7565.8","0.5","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","U2@C80/NiOEP/CHCl3","","","- C117 H46 Cl5 N4 Ni U2 -","- C117 H46 Cl5 N4 Ni U1.9984 -","- C468 H184 Cl20 N16 Ni4 U7.9936 -","4","0.5","","Zhang, Xingxing; Wang, Yaofeng; Morales-Martínez, Roser; Zhong, Jun; de Graaf, Coen; Rodríguez-Fortea, Antonio; Poblet, Josep M.; Echegoyen, Luis; Feng, Lai; Chen, Ning","U2@Ih(7)-C80: Crystallographic characterization of a long-sought dimetallic actinide endohedral fullerene.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b10865","","","1.54178","CuKα","","0.1358","0.1169","","","0.3419","0.3706","","","","","","1.576","","","","has coordinates,has disorder","206369","2020-10-21","18:00:00",""
"4127172","10.2002","0.0006","16.0175","0.0008","12.8323","0.0006","90","","105.396","0.006","90","","2021.33","0.19","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C96 H92 N4 O8 S4 -","4","1","","Xu, Hai; He, Jia; Shi, Jiarong; Tan, Liang; Qiu, Dachuan; Luo, Xiaohua; Li, Yang","Domino Aryne Annulation via Nucleophilic-Ene Process.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b01005","","","0.71073","MoKα","","0.0554","0.0433","","","0.1042","0.115","","","","","","1.124","","","","has coordinates","206370","2020-10-21","18:00:00",""
"4127173","9.5226","0.0003","15.1939","0.0006","14.7465","0.0006","90","","99.662","0.004","90","","2103.34","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O2 S -","- C24 H29 N O2 S -","- C96 H116 N4 O8 S4 -","4","1","","Xu, Hai; He, Jia; Shi, Jiarong; Tan, Liang; Qiu, Dachuan; Luo, Xiaohua; Li, Yang","Domino Aryne Annulation via Nucleophilic-Ene Process.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b01005","","","0.71073","MoKα","","0.0744","0.0518","","","0.121","0.1366","","","","","","1.057","","","","has coordinates","206371","2020-10-21","18:00:00",""
"4127174","16.2813","0.0005","10.4055","0.0003","13.5951","0.0004","90","","91.0311","0.001","90","","2302.84","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BJS2","","","- C25 H31 Cl N2 Ni -","- C25 H31 Cl N2 Ni -","- C100 H124 Cl4 N8 Ni4 -","4","1","","Shields, Benjamin J.; Kudisch, Bryan; Scholes, Gregory D.; Doyle, Abigail G.","Long-Lived Charge Transfer States of Nickel(II) Aryl Halide Complexes Facilitate Bimolecular Photoinduced Electron Transfer.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13281","","","1.54178","CuKα","","0.0305","0.029","","","0.075","0.0759","","","","","","1.044","","","","has coordinates,has disorder","206372","2020-10-21","18:00:00",""
"4127175","16.2813","0.0005","10.4055","0.0003","13.5951","0.0004","90","","91.0311","0.001","90","","2302.84","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24.18 H29.8 Cl N2 Ni -","- C24.179 H29.809 Cl N2 Ni -","- C96.716 H119.236 Cl4 N8 Ni4 -","4","1","","Shields, Benjamin J.; Kudisch, Bryan; Scholes, Gregory D.; Doyle, Abigail G.","Long-Lived Charge Transfer States of Nickel(II) Aryl Halide Complexes Facilitate Bimolecular Photoinduced Electron Transfer.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13281","","","1.54178","CuKα","","0.0739","0.072","","","0.1851","0.1861","","","","","","2.561","","","","has coordinates,has disorder","206373","2020-10-21","18:00:00",""
"4127176","11.6097","0.0004","13.4515","0.0005","17.138","0.0005","67.6273","0.0015","86.9563","0.0015","74.1423","0.0016","2376.85","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H74 Ge Hf N4 O Si2 -","- C45 H74 Ge Hf N4 O Si2 -","- C90 H148 Ge2 Hf2 N8 O2 Si4 -","2","1","","Dong, Zhaowen; Bedbur, Katja; Schmidtmann, Marc; Müller, Thomas","Hafnocene-based Bicyclo[2.1.1]hexene Germylenes - Formation, Reactivity and Structural Flexibility.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13536","","","0.71073","MoKα","","0.0624","0.0437","","","0.0978","0.1057","","","","","","1.054","","","","has coordinates,has disorder","206374","2020-10-21","18:00:00",""
"4127177","8.1141","0.0003","22.8961","0.0007","16.1407","0.0005","90","","95.5255","0.0014","90","","2984.71","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Ge Hf Si2 -","- C28 H46 Ge Hf Si2 -","- C112 H184 Ge4 Hf4 Si8 -","4","1","","Dong, Zhaowen; Bedbur, Katja; Schmidtmann, Marc; Müller, Thomas","Hafnocene-based Bicyclo[2.1.1]hexene Germylenes - Formation, Reactivity and Structural Flexibility.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13536","","","0.71073","MoKα","","0.0378","0.0317","","","0.07","0.0724","","","","","","1.164","","","","has coordinates,has disorder","206375","2020-10-21","18:00:00",""
"4127178","12.2514","0.0004","17.1579","0.0005","13.0272","0.0004","90","","114.884","0.001","90","","2484.19","0.13","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H66 B36 Co2 N2 O2 -","- C26 H66 B36 Co2 N2 O2 -","- C52 H132 B72 Co4 N4 O4 -","2","0.5","","Buades, Ana B.; Sanchez Arderiu, Víctor; Olid-Britos, David; Viñas, Clara; Sillanpää, Reijo; Haukka, Matti; Fontrodona, Xavier; Paradinas, Markos; Ocal, Carmen; Teixidor, Francesc","Electron Accumulative Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12815","","","0.71073","MoKα","","0.1279","0.0736","","","0.1579","0.188","","","","","","1.061","","","","has coordinates","206399","2020-10-21","18:00:00",""
"4127179","19.5311","0.0013","10.3279","0.0007","20.064","0.0014","90","","110.083","0.001","90","","3801.1","0.4","183","2","183","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C34 H57 O5 P3 Pd -","- C34 H57 O5 P3 Pd -","- C136 H228 O20 P12 Pd4 -","4","1","","Chen, Tieqiao; Zhao, Chang-Qiu; Han, Li-Biao","Hydrophosphorylation of Alkynes Catalyzed by Palladium: Generality and Mechanism.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00550","","","0.71073","MoKα","","0.0272","0.0242","","","0.0852","0.0932","","","","","","0.761","","","","has coordinates","206499","2020-10-21","18:00:00",""
"4127180","10.128","0.0012","11.9524","0.0014","20.2705","0.0018","90","","105.659","0.005","90","","2362.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H62 O4 Si2 Sr -","- C52 H62 O4 Si2 Sr -","- C104 H124 O8 Si4 Sr2 -","2","0.5","","Mukherjee, Debabrata; Höllerhage, Thomas; Leich, Valeri; Spaniol, Thomas P.; Englert, Ulli; Maron, Laurent; Okuda, Jun","The Nature of the Heavy Alkaline Earth Metal-Hydrogen Bond: Synthesis, Structure, and Reactivity of a Cationic Strontium Hydride Cluster.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13796","","","0.71073","MoKα","","0.0582","0.0421","","","0.1016","0.1092","","","","","","1.05","","","","has coordinates","206556","2020-10-21","18:00:00",""
"4127181","9.8153","0.001","16.7007","0.0017","19.175","0.002","86.701","0.003","86.382","0.003","77.342","0.003","3057.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H95 N12 Si Sr3 -","- C54 H95 N12 Si Sr3 -","- C108 H190 N24 Si2 Sr6 -","2","1","","Mukherjee, Debabrata; Höllerhage, Thomas; Leich, Valeri; Spaniol, Thomas P.; Englert, Ulli; Maron, Laurent; Okuda, Jun","The Nature of the Heavy Alkaline Earth Metal-Hydrogen Bond: Synthesis, Structure, and Reactivity of a Cationic Strontium Hydride Cluster.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13796","","","0.71073","MoKα","","0.0862","0.0527","","","0.1163","0.1295","","","","","","1.037","","","","has coordinates,has disorder","206556","2020-10-21","18:00:00",""
"4127182","9.8237","0.0003","16.7214","0.0005","19.1764","0.0006","86.7277","0.0008","86.3258","0.0009","77.2861","0.0009","3063.49","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","cocrystal hydride - hydroxide","","","- C54 H95 N12 O0.4 Si Sr3 -","- C54 H95 N12 O0.389 Si Sr3 -","- C108 H190 N24 O0.778 Si2 Sr6 -","2","1","","Mukherjee, Debabrata; Höllerhage, Thomas; Leich, Valeri; Spaniol, Thomas P.; Englert, Ulli; Maron, Laurent; Okuda, Jun","The Nature of the Heavy Alkaline Earth Metal-Hydrogen Bond: Synthesis, Structure, and Reactivity of a Cationic Strontium Hydride Cluster.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13796","","","0.71073","MoKα","","0.0598","0.0423","","","0.1028","0.1099","","","","","","1.057","","","","has coordinates,has disorder","206556","2020-10-21","18:00:00",""
"4127183","13.8856","0.0008","17.4892","0.001","18.1198","0.001","90","","90","","90","","4400.4","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C49 H66 N4 O5 Sr -","- C49 H66 N4 O5 Sr -","- C196 H264 N16 O20 Sr4 -","4","0.5","","Mukherjee, Debabrata; Höllerhage, Thomas; Leich, Valeri; Spaniol, Thomas P.; Englert, Ulli; Maron, Laurent; Okuda, Jun","The Nature of the Heavy Alkaline Earth Metal-Hydrogen Bond: Synthesis, Structure, and Reactivity of a Cationic Strontium Hydride Cluster.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13796","","","0.71073","MoKα","","0.0755","0.0508","","","0.1287","0.141","","","","","","1.061","","","","has coordinates,has disorder","206556","2020-10-21","18:00:00",""
"4127184","9.856","0.003","15.431","0.004","21.091","0.005","90","","92.177","0.008","90","","3205.4","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H42 Ca N4 O2 -","- C37 H42 Ca N4 O2 -","- C148 H168 Ca4 N16 O8 -","4","1","","Mukherjee, Debabrata; Höllerhage, Thomas; Leich, Valeri; Spaniol, Thomas P.; Englert, Ulli; Maron, Laurent; Okuda, Jun","The Nature of the Heavy Alkaline Earth Metal-Hydrogen Bond: Synthesis, Structure, and Reactivity of a Cationic Strontium Hydride Cluster.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13796","","","0.71073","MoKα","","0.1688","0.0742","","","0.1473","0.1852","","","","","","1.018","","","","has coordinates","206556","2020-10-21","18:00:00",""
"4127185","12.4113","0.0003","23.1325","0.0005","22.4665","0.0004","90","","103.812","0.001","90","","6263.7","0.2","173","2","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C241 H322 Cl2 O40 -","- C241 H322 Cl2 O40 -","- C241 H322 Cl2 O40 -","1","0.25","","Jie, Kecheng; Zhou, Yujuan; Li, Errui; Zhao, Run; Liu, Ming; Huang, Feihe","Linear Positional Isomer Sorting in Nonporous Adaptive Crystals of a Pillar[5]arene.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13156","","","1.54178","CuKα","","0.1172","0.0764","","","0.2172","0.2538","","","","","","1.045","","","","has coordinates,has disorder","206557","2020-10-21","18:00:00",""
"4127186","43.4083","0.0019","15.7004","0.0007","16.1394","0.0006","90","","90","","90","","10999.4","0.8","170.1","","170","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C60 H82 O10 -","- C60 H82 O10 -","- C480 H656 O80 -","8","1","","Jie, Kecheng; Zhou, Yujuan; Li, Errui; Zhao, Run; Liu, Ming; Huang, Feihe","Linear Positional Isomer Sorting in Nonporous Adaptive Crystals of a Pillar[5]arene.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13156","","","1.54184","CuKα","","0.1147","0.0663","","","0.1638","0.2013","","","","","","1.006","","","","has coordinates","206558","2020-10-21","18:00:00",""
"4127187","12.2396","0.0006","12.5554","0.0006","25.4446","0.0012","90","","90","","90","","3910.1","0.3","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 Cl2 N O2 P Pd S -","- C42 H48 Cl2 N O2 P Pd S -","- C168 H192 Cl8 N4 O8 P4 Pd4 S4 -","4","1","","Wang, Lei; Chen, Mingjie; Zhang, Peichao; Li, Wenbo; Zhang, Junliang","Palladium/PC-Phos-Catalyzed Enantioselective Arylation of General Sulfenate Anions: Scope and Synthetic Applications.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00178","","","0.71073","MoKα","","0.0369","0.0301","","","0.0631","0.0671","","","","","","1.074","","","","has coordinates","206559","2020-10-21","18:00:00",""
"4127188","25.8977","0.0009","25.8977","0.0009","6.7599","0.0003","90","","90","","120","","3926.4","0.3","100","2","100","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","Co2(m-dobdc)(EB)0.63(H2O)0.61","","","- C14.15 H10.91 Co2 O6.61 -","- C13.0208 H8.276 Co2 O6.5954 -","- C117.187 H74.484 Co18 O59.3586 -","9","0.5","","Gonzalez, Miguel I.; Kapelewski, Matthew T.; Bloch, Eric D.; Milner, Phillip J.; Reed, Douglas A.; Hudson, Matthew R.; Mason, Jarad A.; Barin, Gokhan; Brown, Craig M.; Long, Jeffrey R.","Separation of Xylene Isomers through Multiple Metal Site Interactions in Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13825","","","0.8856","synchrotron","","0.044","0.0399","","","0.108","0.1099","","","","","","1.083","","","","has coordinates,has disorder","208816","2020-10-21","18:00:00",""
"4127189","9.725","0.009","11.882","0.007","16.226","0.011","109.43","0.02","93.08","0.03","109.33","0.04","1640","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","ECG1","","","- C36 H34 N4 O4 -","- C36 H34 N4 O4 -","- C72 H68 N8 O8 -","2","1","","Gentry, Emily C.; Rono, Lydia J.; Hale, Martina E.; Matsuura, Rei; Knowles, Robert R.","Enantioselective Synthesis of Pyrroloindolines via Noncovalent Stabilization of Indole Radical Cations and Applications to the Synthesis of Alkaloid Natural Products.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13616","","","1.54178","CuKα","","0.0627","0.0512","","","0.1175","0.1243","","","","","","1.077","","","","has coordinates","206602","2020-10-21","18:00:00",""
"4127190","8.6732","","18.4268","","20.4522","","90","","99.306","","90","","3225.64","","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 I4 N2 Pb -","- C6 H16 I4 N2 Pb -","- C48 H128 I32 N16 Pb8 -","8","2","","Mao, Lingling; Ke, Weijun; Pedesseau, Laurent; Wu, Yilei; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Hybrid Dion-Jacobson 2D Lead Iodide Perovskites.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00542","","x-ray","0.71073","MoKα","","0.1471","0.0869","","","0.1622","0.1686","","","","3.12","3.12","2.43","","","","has coordinates","206790","2020-10-21","18:00:00",""
"4127191","8.8581","0.0011","8.8607","0.0004","33.4749","0.0005","90","","90","","90","","2627.4","0.3","250","","250","","","","","","","","","5","I 1 c 1","I -2yc","9","","","","- C7 H22 I7 N3 Pb2 -","- C7 H22 I7 N3 Pb2 -","- C28 H88 I28 N12 Pb8 -","4","1","","Mao, Lingling; Ke, Weijun; Pedesseau, Laurent; Wu, Yilei; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Hybrid Dion-Jacobson 2D Lead Iodide Perovskites.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00542","","x-ray","0.71073","MoKα","","0.0365","0.0323","","","0.0922","0.0941","","","","2.41","2.41","2.29","","","","has coordinates","206790","2020-10-21","18:00:00",""
"4127192","8.862","","8.862","","23.032","","90","","90","","90","","1808.82","","250","","250","","","","","","","","","5","P 1 a 1","P -2ya","7","","","","- C16 H56 I20 N8 Pb6 -","- C16 H56 I20 N8 Pb6 -","- C16 H56 I20 N8 Pb6 -","1","0.5","","Mao, Lingling; Ke, Weijun; Pedesseau, Laurent; Wu, Yilei; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Hybrid Dion-Jacobson 2D Lead Iodide Perovskites.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00542","","","0.71073","MoKα","","0.0612","0.0395","","","0.1063","0.1296","","","","","","1.057","","","","has coordinates","206790","2020-10-21","18:00:00",""
"4127193","8.8627","0.0018","8.8689","0.0018","58.842","0.012","90","","90","","90","","4625.1","1.6","250","","250","","","","","","","","","5","I 1 c 1","I -2yc","9","","","","- C9 H34 I13 N5 Pb4 -","- C9 H34 I13 N5 Pb4 -","- C36 H136 I52 N20 Pb16 -","4","1","","Mao, Lingling; Ke, Weijun; Pedesseau, Laurent; Wu, Yilei; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Hybrid Dion-Jacobson 2D Lead Iodide Perovskites.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00542","","x-ray","0.71073","MoKα","","0.1136","0.0901","","","0.2062","0.2138","","","","2.58","2.58","2.12","","","","has coordinates","206790","2020-10-21","18:00:00",""
"4127194","15.4634","0.0003","8.0701","0.00017","12.4586","0.0003","90","","107.686","0.002","90","","1481.24","0.06","113","2","113","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Al78 Fe23.78 Pt0.22 -","- Al78 Fe23.784 Pt0.216 -","- Al78 Fe23.784 Pt0.216 -","1","0.125","","Yamada, Tsunetomo; Kojima, Takayuki; Abe, Eiji; Kameoka, Satoshi; Murakami, Yumi; Gille, Peter; Tsai, An Pang","Probing Single Pt Atoms in Complex Intermetallic Al<sub>13</sub>Fe<sub>4</sub>.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13658","","x-ray","0.71073","MoKα","","0.0286","0.0283","","","0.082","0.086","","","","","","1.163","","","","has coordinates","206809","2020-10-21","18:00:00",""
"4127195","5.0137","0.0004","13.9038","0.0011","11.1839","0.0007","90","","90","","90","","779.62","0.1","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- F Fe Li0.885 Na0.726 O4 P -","- F Fe Li0.885 Na0.726 O4 P -","- F8 Fe8 Li7.08 Na5.808 O32 P8 -","8","1","","Tereshchenko, Ivan V.; Aksyonov, Dmitry A.; Drozhzhin, Oleg A.; Presniakov, Igor A.; Sobolev, Alexey V.; Zhugayevych, Andriy; Striukov, Daniil; Stevenson, Keith J.; Antipov, Evgeny; Abakumov, Artem M.","The role of semi-labile oxygen atoms for intercalation chemistry of the metal-ion battery polyanion cathodes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12644","powder diffraction","x-ray","0.7121","","","0.0447","0.0447","","0.0795","0.0795","","","","24.52","","","","","","","has coordinates","206810","2020-10-21","18:00:00",""
"4127196","5.1288","0.0004","14.0853","0.0013","11.404","0.0008","90","","90","","90","","823.83","0.12","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- F Fe Na O4 P -","- F Fe Na O4 P -","- F8 Fe8 Na8 O32 P8 -","8","1","","Tereshchenko, Ivan V.; Aksyonov, Dmitry A.; Drozhzhin, Oleg A.; Presniakov, Igor A.; Sobolev, Alexey V.; Zhugayevych, Andriy; Striukov, Daniil; Stevenson, Keith J.; Antipov, Evgeny; Abakumov, Artem M.","The role of semi-labile oxygen atoms for intercalation chemistry of the metal-ion battery polyanion cathodes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12644","powder diffraction","x-ray","0.7121","","","0.032","0.032","","0.063","0.063","","","","47.14","","","","","","","has coordinates","206811","2020-10-21","18:00:00",""
"4127197","5.4494","0.0005","15.3174","0.0015","22.166","0.002","69.901","0.009","88.565","0.008","87.799","0.008","1736.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H36 N6 O4 -","- C44 H36 N6 O4 -","- C88 H72 N12 O8 -","2","1","","Anguera, Gonzalo; Cha, Won-Young; Moore, Matthew D.; Lee, Juhoon; Guo, Shenyi; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Hexadecaphyrin-(1.0.0.0.1.1.0.1.1.0.0.0.1.1.0.1): A Dual Site Ligand That Supports Thermal Conformational Changes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13024","","","1.54184","CuKα","","0.0633","0.0578","","","0.1622","0.1717","","","","","","1.022","","","","has coordinates","206844","2020-10-21","18:00:00",""
"4127198","14.615","0.002","16.759","0.002","25.592","0.004","82.134","0.004","83.419","0.004","78.914","0.005","6068.3","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C124 H112 N16 O8 Zn -","- C124 H112 N16 O8 Zn -","- C248 H224 N32 O16 Zn2 -","2","1","","Anguera, Gonzalo; Cha, Won-Young; Moore, Matthew D.; Lee, Juhoon; Guo, Shenyi; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Hexadecaphyrin-(1.0.0.0.1.1.0.1.1.0.0.0.1.1.0.1): A Dual Site Ligand That Supports Thermal Conformational Changes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13024","","","0.71073","MoKα","","0.221","0.1029","","","0.185","0.226","","","","","","1.034","","","","has coordinates,has disorder","206845","2020-10-21","18:00:00",""
"4127199","27.1244","0.0004","23.7924","0.0003","33.4789","0.0006","90","","104.043","0.001","90","","20960","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C124 H108 N16 O8 Zn2 -","- C124 H108 N16 O8 Zn2 -","- C992 H864 N128 O64 Zn16 -","8","2","","Anguera, Gonzalo; Cha, Won-Young; Moore, Matthew D.; Lee, Juhoon; Guo, Shenyi; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Hexadecaphyrin-(1.0.0.0.1.1.0.1.1.0.0.0.1.1.0.1): A Dual Site Ligand That Supports Thermal Conformational Changes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13024","","","1.54184","CuKα","","0.1057","0.094","","","0.2423","0.2576","","","","","","1.25","","","","has coordinates","206846","2020-10-21","18:00:00",""
"4127200","12.022","0.0005","26.4576","0.0008","18.26","0.0006","90","","97.465","0.003","90","","5758.8","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H84 N6 Ni2 -","- C66 H84 N6 Ni2 -","- C264 H336 N24 Ni8 -","4","1","","Powers, Ian G.; Andjaba, John M.; Luo, Xuyi; Mei, Jianguo; Uyeda, Christopher","Catalytic Azoarene Synthesis from Aryl Azides Enabled by a Dinuclear Ni Complex.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00503","","","1.54178","CuKα","","0.0608","0.0543","","","0.1562","0.1663","","","","","","1.078","","","","has coordinates,has disorder","206848","2020-10-21","18:00:00",""
"4127201","16.3481","0.0003","22.1973","0.0004","35.036","0.0007","90","","90","","90","","12714","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33.54 H32.42 F6 N4 Ni -","- C33.542 H32.416 F6 N4 Ni -","- C536.672 H518.656 F96 N64 Ni16 -","16","2","","Powers, Ian G.; Andjaba, John M.; Luo, Xuyi; Mei, Jianguo; Uyeda, Christopher","Catalytic Azoarene Synthesis from Aryl Azides Enabled by a Dinuclear Ni Complex.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00503","","","1.54178","CuKα","","0.061","0.0444","","","0.1098","0.1183","","","","","","1.009","","","","has coordinates,has disorder","206849","2020-10-21","18:00:00",""
"4127202","8.6475","0.0007","22.8313","0.0017","22.7875","0.0016","90","","98.535","0.003","90","","4449.2","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C99 H122 N10 Ni4 -","- C99 H122 N10 Ni4 -","- C198 H244 N20 Ni8 -","2","0.5","","Powers, Ian G.; Andjaba, John M.; Luo, Xuyi; Mei, Jianguo; Uyeda, Christopher","Catalytic Azoarene Synthesis from Aryl Azides Enabled by a Dinuclear Ni Complex.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00503","","","1.54178","CuKα","","0.0757","0.0685","","","0.173","0.1773","","","","","","1.032","","","","has coordinates,has disorder","206850","2020-10-21","18:00:00",""
"4127203","9.239","0.002","15.723","0.004","13.879","0.004","90","","92.646","0.003","90","","2014","0.9","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H56 Fe N2 Si4 -","- C40 H56 Fe N2 Si4 -","- C80 H112 Fe2 N4 Si8 -","2","0.5","","Sunada, Yusuke; Ogushi, Hajime; Yamamoto, Taiji; Uto, Shoko; Sawano, Mina; Tahara, Atsushi; Tanaka, Hiromasa; Shiota, Yoshihito; Yoshizawa, Kazunari; Nagashima, Hideo","Disilaruthena- and ferra-cyclic complexes containing isocyanide lig-ands as effective catalysts for hydrogenation of unfunctionalized ste-rically hindered alkenes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00812","","","0.71075","MoKα","","0.0394","0.0368","","","0.1008","0.1034","","","","","","1.054","","","","has coordinates","206862","2020-10-21","18:00:00",""
"4127204","9.24","0.002","15.828","0.003","13.861","0.003","90","","92.037","0.003","90","","2025.9","0.7","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H56 N2 Ru Si4 -","- C40 H56 N2 Ru Si4 -","- C80 H112 N4 Ru2 Si8 -","2","0.5","","Sunada, Yusuke; Ogushi, Hajime; Yamamoto, Taiji; Uto, Shoko; Sawano, Mina; Tahara, Atsushi; Tanaka, Hiromasa; Shiota, Yoshihito; Yoshizawa, Kazunari; Nagashima, Hideo","Disilaruthena- and ferra-cyclic complexes containing isocyanide lig-ands as effective catalysts for hydrogenation of unfunctionalized ste-rically hindered alkenes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00812","","","0.71075","MoKα","","0.0919","0.0564","","","0.1043","0.1196","","","","","","1.058","","","","has coordinates","206862","2020-10-21","18:00:00",""
"4127205","9.4278","0.0018","11.656","0.002","20.892","0.004","90","","90.4","0.003","90","","2295.8","0.7","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H68 N2 Ru Si4 -","- C46 H68 N2 Ru Si4 -","- C92 H136 N4 Ru2 Si8 -","2","0.5","","Sunada, Yusuke; Ogushi, Hajime; Yamamoto, Taiji; Uto, Shoko; Sawano, Mina; Tahara, Atsushi; Tanaka, Hiromasa; Shiota, Yoshihito; Yoshizawa, Kazunari; Nagashima, Hideo","Disilaruthena- and ferra-cyclic complexes containing isocyanide lig-ands as effective catalysts for hydrogenation of unfunctionalized ste-rically hindered alkenes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00812","","","0.71075","MoKα","","0.074","0.0498","","","0.105","0.1175","","","","","","1.05","","","","has coordinates","206862","2020-10-21","18:00:00",""
"4127206","9.5868","0.0016","9.751","0.002","11.415","0.003","81.858","0.015","67.712","0.013","62.781","0.011","877.4","0.3","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H52 N2 Ru Si4 -","- C30 H52 N2 Ru Si4 -","- C30 H52 N2 Ru Si4 -","1","0.5","","Sunada, Yusuke; Ogushi, Hajime; Yamamoto, Taiji; Uto, Shoko; Sawano, Mina; Tahara, Atsushi; Tanaka, Hiromasa; Shiota, Yoshihito; Yoshizawa, Kazunari; Nagashima, Hideo","Disilaruthena- and ferra-cyclic complexes containing isocyanide lig-ands as effective catalysts for hydrogenation of unfunctionalized ste-rically hindered alkenes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00812","","","0.71075","MoKα","","0.027","0.0261","","","0.0604","0.0609","","","","","","1.074","","","","has coordinates","206862","2020-10-21","18:00:00",""
"4127207","9.516","0.004","24.464","0.007","9.479","0.003","90","","108.589","0.009","90","","2091.6","1.3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H64 N2 Ru Si4 -","- C42 H64 N2 Ru Si4 -","- C84 H128 N4 Ru2 Si8 -","2","0.5","","Sunada, Yusuke; Ogushi, Hajime; Yamamoto, Taiji; Uto, Shoko; Sawano, Mina; Tahara, Atsushi; Tanaka, Hiromasa; Shiota, Yoshihito; Yoshizawa, Kazunari; Nagashima, Hideo","Disilaruthena- and ferra-cyclic complexes containing isocyanide lig-ands as effective catalysts for hydrogenation of unfunctionalized ste-rically hindered alkenes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00812","","","0.71075","MoKα","","0.1004","0.0847","","","0.1771","0.1851","","","","","","1.135","","","","has coordinates","206862","2020-10-21","18:00:00",""
"4127208","9.498","0.0004","10.251","0.0004","31.4125","0.0012","97.819","0.003","90.664","0.003","90.093","0.003","3029.8","0.2","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H11 Cl F3 N O3 S -","- C16 H12.5714 Cl1.14286 F3.42857 N1.14286 O3.42857 S1.14286 -","- C112 H88 Cl8 F24 N8 O24 S8 -","7","3.5","","Toriumi, Naoyuki; Asano, Norihito; Miyamoto, Kazunori; Muranaka, Atsuya; Uchiyama, Masanobu","N-Alkynylpyridinium Salts: Highly Electrophilic Alkyne-Pyridine Conjugates as Precursors of Cationic Nitrogen-Embedded Polycyclic Aromatic Hydrocarbons.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00356","","","1.54187","CuKα","","","0.1514","","","","0.3057","","","","","","1.499","","","","has coordinates","206863","2020-10-21","18:00:00",""
"4127209","7.5795","0.0014","5.7344","0.0012","18.702","0.004","90","","92.404","0.003","90","","812.1","0.3","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 O4 S -","- C18 H18 O4 S -","- C36 H36 O8 S2 -","2","1","","Uraguchi, Daisuke; Yamada, Kohei; Sato, Makoto; Ooi, Takashi","Catalyst-Directed Guidance of Sulfur-Substituted Enediolates to Stereoselective Carbon-Carbon Bond Formation with Aldehydes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12949","","","0.71075","MoKα","","0.0204","0.0201","","","0.0547","0.0549","","","","","","1.094","","","","has coordinates","206929","2020-10-21","18:00:00",""
"4127210","11.7197","0.001","14.6076","0.0015","23.389","0.003","90","","90","","90","","4004.1","0.7","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H50 Cl F4 N4 O P -","- C42 H50 Cl F4 N4 O P -","- C168 H200 Cl4 F16 N16 O4 P4 -","4","1","","Uraguchi, Daisuke; Yamada, Kohei; Sato, Makoto; Ooi, Takashi","Catalyst-Directed Guidance of Sulfur-Substituted Enediolates to Stereoselective Carbon-Carbon Bond Formation with Aldehydes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12949","","","0.71075","MoKα","","0.0289","0.0263","","","0.0665","0.0686","","","","","","1.08","","","","has coordinates","206930","2020-10-21","18:00:00",""
"4127211","11.3358","0.0004","15.675","0.0006","16.0379","0.0006","90","","106.301","0.001","90","","2735.19","0.18","170","2","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H47 Ir O P2 -","- C26 H47 Ir O P2 -","- C104 H188 Ir4 O4 P8 -","4","1","","Wang, Yulei; Huang, Zhidao; Leng, Xuebing; Zhu, Huping; Liu, Guixia; Huang, Zheng","Transfer Hydrogenation of Alkenes Using Ethanol Catalyzed by A NCP Pincer Iridium Complex: Scope and Mechanism.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b01038","","","1.34139","GaKα","","0.0284","0.0283","","","0.1123","0.1127","","","","","","1.028","","","","has coordinates","206948","2020-10-21","18:00:00",""
"4127212","10.849","0.002","25.462","0.005","11.036","0.002","90","","103.729","0.004","90","","2961.5","1","273","2","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 Cl Ir N O3 P -","- C29 H42 Cl Ir N O3 P -","- C116 H168 Cl4 Ir4 N4 O12 P4 -","4","1","","Wang, Yulei; Huang, Zhidao; Leng, Xuebing; Zhu, Huping; Liu, Guixia; Huang, Zheng","Transfer Hydrogenation of Alkenes Using Ethanol Catalyzed by A NCP Pincer Iridium Complex: Scope and Mechanism.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b01038","","","0.71073","MoKα","","0.0762","0.0371","","","0.1009","0.1307","","","","","","0.793","","","","has coordinates","206949","2020-10-21","18:00:00",""
"4127213","19.269","0.0007","24.3606","0.0004","41.316","0.0018","90","","102.261","0.004","90","","18951.5","1.2","100.01","0.1","100.01","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C210 H186 O12 -","- C210 H186 O12 -","- C840 H744 O48 -","4","0.5","","Zhu, Yanpeng; Xia, Zeming; Cai, Zeying; Yuan, Ziyong; Jiang, Nianqiang; Li, Tao; Wang, Yonggen; Guo, Xiaoyu; Li, Zhihao; Ma, Shuang; Zhong, Dingyong; Li, Yang; Wang, Jiaobing","Synthesis and Characterization of Hexapole [7]Helicene, A Circularly Twisted Chiral Nanographene.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b01447","","x-ray","1.54184","CuKα","","0.0606","0.0516","","","0.1481","0.1539","","","","","","1.079","","","","has coordinates,has disorder","207010","2020-10-21","18:00:00",""
"4127214","10.8771","0.0003","15.7831","0.0004","32.4325","0.0008","90","","90","","90","","5567.8","0.2","103","2","103.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H23 F6 Ir N5 P -","- C30 H23 F6 Ir N5 P -","- C240 H184 F48 Ir8 N40 P8 -","8","1","","Sun, Meng-Jia; Liu, Yingying; Yan, Yaming; Li, Rui; Shi, Qiang; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","In Situ Visualization of Assembly and Photonic Signal Processing in a Triplet Light-Harvesting Nanosystem.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12519","","","0.71073","MoKα","","0.0658","0.041","","","0.0825","0.0918","","","","","","1.096","","","","has coordinates,has disorder","207011","2020-10-21","18:00:00",""
"4127215","10.887","0.002","15.832","0.003","32.699","0.007","90","","90","","90","","5636.1","1.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H23 F6 Ir N5 P -","- C30 H23 F6 Ir N5 P -","- C240 H184 F48 Ir8 N40 P8 -","8","1","","Sun, Meng-Jia; Liu, Yingying; Yan, Yaming; Li, Rui; Shi, Qiang; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","In Situ Visualization of Assembly and Photonic Signal Processing in a Triplet Light-Harvesting Nanosystem.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12519","","","0.71073","MoKα","","0.0925","0.0678","","","0.107","0.116","","","","","","1.221","","","","has coordinates,has disorder","207012","2020-10-21","18:00:00",""
"4127216","8.8337","0.0007","10.0588","0.0008","16.3246","0.0015","91.209","0.002","95.437","0.002","95.278","0.002","1437.2","0.2","296","2","296","2","","","","","","","","2","P -1","-P 1","2","compound 1","hexa-pery-hexabenzo[7]helicene peryleno[1',2',3':10,10a,1]phenanthro[9,8a,8-ab]perylene","","- C48 H24 -","- C48 H24 -","- C96 H48 -","2","1","","Nakakuki, Yusuke; Hirose, Takashi; Sotome, Hikaru; Miyasaka, Hiroshi; Matsuda, Kenji","Hexa-peri-hexabenzo[7]helicene: Homogeneously π-Extended Helicene as a Primary Substructure of Helically Twisted Chiral Graphenes","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13412","","","0.71075","MoKα","","0.1547","0.0839","","","0.1684","0.199","","","","","","1.039","","","","has coordinates","207013","2020-10-21","18:00:00",""
"4127217","19.5521","0.0008","18.7147","0.0009","32.1206","0.0016","90","","105.355","0.005","90","","11333.8","1","150.05","0.1","150.05","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H116 B6 F24 N24 O7 Zn3 -","- C96 H116 B6 F24 N24 O7 Zn3 -","- C384 H464 B24 F96 N96 O28 Zn12 -","4","1","","Zhang, Liang; August, David; Zhong, Jiankang; Whitehead, George F. S.; Vitorica-Yrezabal, Inigo J; Leigh, David A.","A Molecular Trefoil Knot From a Trimeric Circular Helicate.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00738","","x-ray","1.54184","CuKα","","0.1018","0.0722","","","0.1969","0.2297","","","","","","1.101","","","","has coordinates,has disorder","207029","2020-10-21","18:00:00",""
"4127218","7.9511","0.0016","6.7919","0.0014","8.8449","0.0018","90","","111.6","0.03","90","","444.11","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H12 Cl N O3 -","- C6 H12 Cl N O3 -","- C12 H24 Cl2 N2 O6 -","2","1","","Matinkhoo, Kaveh; Pryyma, Alla; Todorovic, Mihajlo; Patrick, Brian O.; Perrin, David M.","Synthesis of the Death-Cap Mushroom Toxin α-Amanitin","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12698","","","0.71073","MoKα","","0.0157","0.0157","","","0.0516","0.0517","","","","","","0.507","","","","has coordinates","207040","2020-10-21","18:00:00",""
"4127219","7.619","0.002","10.047","0.002","21.691","0.005","76.89","0.02","81.02","0.02","89.64","0.02","1596.6","0.7","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Br N O -","- C18 H20 Br N O -","- C72 H80 Br4 N4 O4 -","4","2","","Rao, V. Bhaskar; George, Clifford F.; Wolff, Steven; Agosta, William C.","Synthetic and structural studies in the [4.4.4.5]fenestrane series","Journal of the American Chemical Society","1985","107","20","5732","5739","10.1021/ja00306a022","","","","","","","","","","","","","","","","","","","","","has coordinates","207511","2020-10-21","18:00:00",""
"4127220","28.951","0.003","6.0992","0.0006","11.9821","0.0012","90","","92.266","0.002","90","","2114.1","0.4","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 Ag Bi I8 N4 S4 -","- C24 H36 Ag Bi I8 N4 S4 -","- C48 H72 Ag2 Bi2 I16 N8 S8 -","2","0.25","","Jana, Manoj K.; Janke, Svenja M.; Dirkes, David J.; Dovletgeldi, Seyitliyev; Liu, Chi; Qin, Xixi; Gundogdu, Kenan; You, Wei; Blum, Volker; Mitzi, David B.","Direct-Bandgap 2D Silver-Bismuth Iodide Double Perovskite: The Structure-Directing Influence of an Oligothiophene Spacer Cation.","Journal of the American Chemical Society","2019","141","19","7955","7964","10.1021/jacs.9b02909","","","0.71073","MoKα","","0.0665","0.049","","","0.1339","0.1484","","","","","","1.085","","","","has coordinates,has disorder","223198","2020-10-21","18:00:00",""
"4127221","29.3654","0.0014","6.1473","0.0003","12.0494","0.0006","90","","92.7321","0.0012","90","","2172.66","0.18","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 Ag Bi I8 N4 S4 -","- C24 H36 Ag Bi I8 N4 S4 -","- C48 H72 Ag2 Bi2 I16 N8 S8 -","2","0.25","","Jana, Manoj K.; Janke, Svenja M.; Dirkes, David J.; Dovletgeldi, Seyitliyev; Liu, Chi; Qin, Xixi; Gundogdu, Kenan; You, Wei; Blum, Volker; Mitzi, David B.","Direct-Bandgap 2D Silver-Bismuth Iodide Double Perovskite: The Structure-Directing Influence of an Oligothiophene Spacer Cation.","Journal of the American Chemical Society","2019","141","19","7955","7964","10.1021/jacs.9b02909","","","0.71073","MoKα","","0.0662","0.0555","","","0.1634","0.1778","","","","","","1.097","","","","has coordinates,has disorder","223198","2020-10-21","18:00:00",""
"4127222","9.1723","0.0006","13.1708","0.0009","20.2598","0.0014","90","","90","","90","","2447.5","0.3","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 O8 -","- C25 H40 O8 -","- C100 H160 O32 -","4","1","","Turlik, Aneta; Chen, Yifeng; Scruse, Anthony C.; Newhouse, Timothy R.","Convergent Total Synthesis of Principinol D, a Rearranged Kaurane Diterpenoid.","Journal of the American Chemical Society","2019","141","20","8088","8092","10.1021/jacs.9b03751","","","1.54178","CuKα","","0.028","0.0253","","","0.0654","0.0665","","","","","","1.054","","","","has coordinates","223188","2020-10-21","18:00:00",""
"4127223","16.497","0.002","8.9713","0.001","20.61","0.002","90","","105.159","0.004","90","","2944.1","0.6","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C34 H52 N P -","- C34 H52 N P -","- C136 H208 N4 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Kim, Youngsuk; Stephan, Douglas W.","Reversible Intramolecular Cycloaddition of Phosphaalkene to an Arene Ring.","Journal of the American Chemical Society","2019","141","20","8083","8087","10.1021/jacs.9b03721","","","0.71073","MoKα","","0.0976","0.0515","","","0.1107","0.1269","","","","","","1.075","","","","has coordinates","223189","2020-10-21","18:00:00",""
"4127224","11.104","0.019","15.85","0.02","14.68","0.02","90","","95.94","0.05","90","","2570","6","150","2","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 N P -","- C28 H46 N P -","- C112 H184 N4 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Kim, Youngsuk; Stephan, Douglas W.","Reversible Intramolecular Cycloaddition of Phosphaalkene to an Arene Ring.","Journal of the American Chemical Society","2019","141","20","8083","8087","10.1021/jacs.9b03721","","","0.71073","MoKα","","0.0827","0.0614","","","0.1551","0.1703","","","","","","1.079","","","","has coordinates","223189","2020-10-21","18:00:00",""
"4127225","10.144","0.0005","16.2799","0.0007","20.1295","0.0007","90","","104.252","0.002","90","","3221.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36.5 H59 N P S -","- C36.5 H59 N P S -","- C146 H236 N4 P4 S4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Kim, Youngsuk; Stephan, Douglas W.","Reversible Intramolecular Cycloaddition of Phosphaalkene to an Arene Ring.","Journal of the American Chemical Society","2019","141","20","8083","8087","10.1021/jacs.9b03721","","","0.71073","MoKα","","0.1178","0.0615","","","0.1441","0.1705","","","","","","1.032","","","","has coordinates,has disorder","223189","2020-10-21","18:00:00",""
"4127226","11.096","0.007","11.353","0.009","16.047","0.011","76.64","0.02","69.873","0.014","79.271","0.019","1834","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H57 F4 N O3 P S -","- C39 H57 F4 N O3 P S -","- C78 H114 F8 N2 O6 P2 S2 -","2","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Kim, Youngsuk; Stephan, Douglas W.","Reversible Intramolecular Cycloaddition of Phosphaalkene to an Arene Ring.","Journal of the American Chemical Society","2019","141","20","8083","8087","10.1021/jacs.9b03721","","","0.71073","MoKα","","0.0786","0.0496","","","0.116","0.1285","","","","","","1.054","","","","has coordinates,has disorder","223189","2020-10-21","18:00:00",""
"4127227","18.4913","0.0002","20.3554","0.0003","24.9867","0.0003","90","","90","","90","","9404.9","0.2","170","2","170.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H73 Co N3 O -","- C52 H73 Co N3 O -","- C416 H584 Co8 N24 O8 -","8","1","","Wang, Dongyang; Leng, Xuebing; Ye, Shengfa; Deng, Liang","Substrate Redox Non-innocence Inducing Stepwise Oxidative Addition Reaction: Nitrosoarene C-N Bond Cleavage on Low-Coordinate Cobalt(0) Species.","Journal of the American Chemical Society","2019","141","19","7731","7735","10.1021/jacs.9b03726","","","1.34139","GaKα","","0.0792","0.0683","","","0.1888","0.1984","","","","","","1.054","","","","has coordinates","223199","2020-10-21","18:00:00",""
"4127228","28.843","0.0007","11.3664","0.0002","20.0835","0.0005","90","","101.489","0.002","90","","6452.3","0.3","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H94 Co N4 O2 -","- C63 H94 Co N4 O2 -","- C252 H376 Co4 N16 O8 -","4","1","","Wang, Dongyang; Leng, Xuebing; Ye, Shengfa; Deng, Liang","Substrate Redox Non-innocence Inducing Stepwise Oxidative Addition Reaction: Nitrosoarene C-N Bond Cleavage on Low-Coordinate Cobalt(0) Species.","Journal of the American Chemical Society","2019","141","19","7731","7735","10.1021/jacs.9b03726","","","1.34139","GaKα","","0.0862","0.0566","","","0.1444","0.1586","","","","","","1.074","","","","has coordinates","223199","2020-10-21","18:00:00",""
"4127229","15.999","0.003","17.341","0.004","25.848","0.005","90","","106.54","0.03","90","","6874","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C81 H70 B F4 Fe2 N5.5 O0.5 S4 -","- C81 H70 B F4 Fe2 N5.5 O0.5 S4 -","- C324 H280 B4 F16 Fe8 N22 O2 S16 -","4","1","","Wang, Lianke; Gennari, Marcello; Cantú Reinhard, Fabián G; Gutiérrez, Javier; Morozan, Adina; Philouze, Christian; Demeshko, Serhiy; Artero, Vincent; Meyer, Franc; de Visser, Sam P.; Duboc, Carole","A Non-Heme Diiron Complex for (Electro)catalytic Reduction of Dioxygen: Tuning the Selectivity through Electron Delivery.","Journal of the American Chemical Society","2019","141","20","8244","8253","10.1021/jacs.9b02011","","x-ray","0.71073","MoKα","","0.062","0.044","","","0.099","0.1121","","","","","","1.144","","","","has coordinates,has disorder","223190","2020-10-21","18:00:00",""
"4127230","13.8502","0.0002","16.6927","0.0003","23.0193","0.0003","90.251","0.001","90.387","0.001","112.097","0.002","4930.84","0.15","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C94 H150 B2 K2 N8 O14 -","- C94 H150 B2 K2 N8 O14 -","- C188 H300 B4 K4 N16 O28 -","2","2","","Loh, Ying Kai; Porteous, Kieran; Fuentes, M Ángeles; Do, Dinh Cao Huan; Hicks, Jamie; Aldridge, Simon","An Acid-Free Anionic Oxoborane Isoelectronic with Carbonyl: Facile Access and Transfer of a Terminal B═O Double Bond.","Journal of the American Chemical Society","2019","141","20","8073","8077","10.1021/jacs.9b03600","","","1.54184","CuKα","","0.0644","0.0551","","","0.1437","0.1516","","","","","","1.041","","","","has coordinates,has disorder","223191","2020-10-21","18:00:00",""
"4127231","13.0099","0.0003","15.9376","0.0004","16.4118","0.0004","80.367","0.002","86.833","0.002","86.675","0.002","3345.71","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H96 B K N4 O6 S -","- C68 H96 B K N4 O6 S -","- C136 H192 B2 K2 N8 O12 S2 -","2","1","","Loh, Ying Kai; Porteous, Kieran; Fuentes, M Ángeles; Do, Dinh Cao Huan; Hicks, Jamie; Aldridge, Simon","An Acid-Free Anionic Oxoborane Isoelectronic with Carbonyl: Facile Access and Transfer of a Terminal B═O Double Bond.","Journal of the American Chemical Society","2019","141","20","8073","8077","10.1021/jacs.9b03600","","","1.54184","CuKα","","0.0429","0.0386","","","0.101","0.1051","","","","","","1.029","","","","has coordinates,has disorder","223191","2020-10-21","18:00:00",""
"4127232","15.5333","0.0003","16.3399","0.0003","27.911","0.0007","85.492","0.002","89.509","0.002","61.864","0.002","6224.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C125 H165 B4 K4 N8 S4 -","- C125 H165 B4 K4 N8 S4 -","- C250 H330 B8 K8 N16 S8 -","2","1","","Loh, Ying Kai; Porteous, Kieran; Fuentes, M Ángeles; Do, Dinh Cao Huan; Hicks, Jamie; Aldridge, Simon","An Acid-Free Anionic Oxoborane Isoelectronic with Carbonyl: Facile Access and Transfer of a Terminal B═O Double Bond.","Journal of the American Chemical Society","2019","141","20","8073","8077","10.1021/jacs.9b03600","","","1.54184","CuKα","","0.09","0.068","","","0.1853","0.2101","","","","","","1.016","","","","has coordinates,has disorder","223191","2020-10-21","18:00:00",""
"4127233","11.8476","0.0002","13.6268","0.0002","19.9995","0.0003","90","","94.496","0.001","90","","3218.88","0.09","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 B F3 N3 O3 S -","- C32 H41 B F3 N3 O3 S -","- C128 H164 B4 F12 N12 O12 S4 -","4","1","","Loh, Ying Kai; Porteous, Kieran; Fuentes, M Ángeles; Do, Dinh Cao Huan; Hicks, Jamie; Aldridge, Simon","An Acid-Free Anionic Oxoborane Isoelectronic with Carbonyl: Facile Access and Transfer of a Terminal B═O Double Bond.","Journal of the American Chemical Society","2019","141","20","8073","8077","10.1021/jacs.9b03600","","","1.54184","CuKα","","0.052","0.0395","","","0.0978","0.1065","","","","","","1.029","","","","has coordinates,has disorder","223191","2020-10-21","18:00:00",""
"4127234","12.2444","0.0001","15.9465","0.0002","30.3954","0.0003","90","","92.74","0.001","90","","5928.08","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H86 B K N6 O7 -","- C59 H86 B K N6 O7 -","- C236 H344 B4 K4 N24 O28 -","4","1","","Loh, Ying Kai; Porteous, Kieran; Fuentes, M Ángeles; Do, Dinh Cao Huan; Hicks, Jamie; Aldridge, Simon","An Acid-Free Anionic Oxoborane Isoelectronic with Carbonyl: Facile Access and Transfer of a Terminal B═O Double Bond.","Journal of the American Chemical Society","2019","141","20","8073","8077","10.1021/jacs.9b03600","","","1.54184","CuKα","","0.0507","0.0422","","","0.1084","0.1156","","","","","","1.03","","","","has coordinates","223191","2020-10-21","18:00:00",""
"4127235","6.008","0.0015","6.008","0.0015","46.843","0.015","90","","90","","90","","1690.8","0.8","390","2","390","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C8 H32 Br10 N4 Pb3 -","- C8 H32.96 Br10 N4 Pb3 -","- C16 H65.92 Br20 N8 Pb6 -","2","0.0625","","Wang, Sasa; Liu, Xitao; Li, Lina; Ji, Chengmin; Sun, Zhihua; Wu, Zhenyue; Hong, Maochun; Luo, Junhua","An Unprecedented Biaxial Trilayered Hybrid Perovskite Ferroelectric with Directionally Tunable Photovoltaic Effects.","Journal of the American Chemical Society","2019","141","19","7693","7697","10.1021/jacs.9b02558","","","0.71073","MoKα","","0.0623","0.0475","","","0.1375","0.1518","","","","","","1.078","","","","has coordinates","223200","2020-10-21","18:00:00",""
"4127236","8.4247","0.0003","46.305","0.003","8.4256","0.0003","90","","90","","90","","3286.9","0.3","280","2","280","2","","","","","","","","5","C 2 e b","C -2ac 2","41","","","","- C8 H32 Br10 N4 Pb3 -","- C8 H32 Br10 N4 Pb3 -","- C32 H128 Br40 N16 Pb12 -","4","0.5","","Wang, Sasa; Liu, Xitao; Li, Lina; Ji, Chengmin; Sun, Zhihua; Wu, Zhenyue; Hong, Maochun; Luo, Junhua","An Unprecedented Biaxial Trilayered Hybrid Perovskite Ferroelectric with Directionally Tunable Photovoltaic Effects.","Journal of the American Chemical Society","2019","141","19","7693","7697","10.1021/jacs.9b02558","","","0.71073","MoKα","","0.1602","0.1094","","","0.1926","0.2189","","","","","","1.113","","","","has coordinates","223200","2020-10-21","18:00:00",""
"4127237","19.8397","0.0006","16.8728","0.0005","19.6562","0.0007","90","","90","","90","","6579.9","0.4","193","","","","","","","","","","see text","2","P b c n","-P 2n 2ab","60","","","","- C78 H48 -","- C78 H48 -","- C312 H192 -","4","0.5","","Xu, Kun; Urgel, José I; Eimre, Kristjan; Di Giovannantonio, Marco; Keerthi, Ashok; Komber, Hartmut; Wang, Shiyong; Narita, Akimitsu; Berger, Reinhard; Ruffieux, Pascal; Pignedoli, Carlo A.; Liu, Junzhi; Müllen, Klaus; Fasel, Roman; Feng, Xinliang","On-Surface Synthesis of a Nonplanar Porous Nanographene.","Journal of the American Chemical Society","2019","141","19","7726","7730","10.1021/jacs.9b03554","","x-ray","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","223201","2020-10-21","18:00:00",""
"4127238","19.107","0.0014","12.1469","0.0008","17.3938","0.0011","90","","90","","90","","4036.9","0.5","130","2","130","2","","","","","","","","7","P n a 21","P 2c -2n","33","","2a","","- C39 H41 F6 Mo N3 O7 S2 -","- C39 H41 F6 Mo N3 O7 S2 -","- C156 H164 F24 Mo4 N12 O28 S8 -","4","1","","Herz, Katharina; Podewitz, Maren; Stöhr, Laura; Wang, Dongren; Frey, Wolfgang; Liedl, Klaus R.; Sen, Suman; Buchmeiser, Michael R.","Mechanism of Olefin Metathesis with Neutral and Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes.","Journal of the American Chemical Society","2019","141","20","8264","8276","10.1021/jacs.9b02092","","","0.71073","MoKα","","0.0576","0.0353","","","0.0587","0.063","","","","","","1.02","","","","has coordinates","223203","2020-10-21","18:00:00",""
"4127239","22.397","0.0012","18.0764","0.001","11.9381","0.0007","90","","90","","90","","4833.2","0.5","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","5","","- C44 H51 Cl2 F6 Mo N3 O6 S2 -","- C44 H51 Cl2 F6 Mo N3 O6 S2 -","- C176 H204 Cl8 F24 Mo4 N12 O24 S8 -","4","1","","Herz, Katharina; Podewitz, Maren; Stöhr, Laura; Wang, Dongren; Frey, Wolfgang; Liedl, Klaus R.; Sen, Suman; Buchmeiser, Michael R.","Mechanism of Olefin Metathesis with Neutral and Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes.","Journal of the American Chemical Society","2019","141","20","8264","8276","10.1021/jacs.9b02092","","","0.71073","MoKα","","0.0519","0.0437","","","0.1142","0.1202","","","","","","1.042","","","","has coordinates","223203","2020-10-21","18:00:00",""
"4127240","12.6134","0.0007","13.4666","0.0007","16.8383","0.001","85.916","0.003","73.747","0.002","75.819","0.002","2662.2","0.3","130","2","130","2","","","","","","","","8","P -1","-P 1","2","","6a","","- C46 H47 Cl2 F8 Mo N3 O5 S -","- C46 H47 Cl2 F8 Mo N3 O5 S -","- C92 H94 Cl4 F16 Mo2 N6 O10 S2 -","2","1","","Herz, Katharina; Podewitz, Maren; Stöhr, Laura; Wang, Dongren; Frey, Wolfgang; Liedl, Klaus R.; Sen, Suman; Buchmeiser, Michael R.","Mechanism of Olefin Metathesis with Neutral and Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes.","Journal of the American Chemical Society","2019","141","20","8264","8276","10.1021/jacs.9b02092","","","0.71073","MoKα","","0.0503","0.0357","","","0.0889","0.0944","","","","","","1.034","","","","has coordinates","223203","2020-10-21","18:00:00",""
"4127241","15.1332","0.0018","15.1","0.0018","6.5509","0.0008","90","","90","","90","","1497","0.3","173","2","173","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","0.5","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","0.71073","MoKα","","0.0639","0.0388","","","0.084","0.0969","","","","","","1.032","","","","has coordinates,has disorder","223192","2020-10-21","18:00:00",""
"4127242","19.898","0.004","20.674","0.004","7.2318","0.0013","90","","91.89","0.002","90","","2973.3","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C128 H120 N24 O32 -","8","1","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","0.71073","MoKα","","0.1196","0.0634","","","0.1567","0.1993","","","","","","0.968","","","","has coordinates","223192","2020-10-21","18:00:00",""
"4127243","7.3582","0.0008","9.6426","0.001","23.096","0.002","90","","94.383","0.001","90","","1633.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C72 H84 N12 O8 -","4","1","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","0.71073","MoKα","","0.0884","0.06","","","0.1567","0.1842","","","","","","1.059","","","","has coordinates","223192","2020-10-21","18:00:00",""
"4127244","16.43","0.002","6.9255","0.0011","15.304","0.002","90","","92.064","0.002","90","","1740.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","- C72 H80 N16 O16 -","4","1","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","0.71073","MoKα","","0.0993","0.0524","","","0.1183","0.1466","","","","","","1.025","","","","has coordinates","223192","2020-10-21","18:00:00",""
"4127245","15.4094","0.0002","6.7356","0.0001","15.5716","0.0002","90","","109.499","0.001","90","","1523.51","0.04","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C64 H60 N12 O16 -","4","1","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","223192","2020-10-21","18:00:00",""
"4127246","17.0954","0.0016","12.4698","0.0012","7.1665","0.0007","90","","98.801","0.001","90","","1509.7","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 H72 N8 O12 -","4","1","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","0.71073","MoKα","","0.0455","0.0392","","","0.0919","0.0977","","","","","","1.054","","","","has coordinates","223192","2020-10-21","18:00:00",""
"4127247","21.686","0.005","17.836","0.004","7.2977","0.0018","90","","90","","90","","2822.7","1.1","","","","","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C128 H128 N16 O16 -","8","1","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","223192","2020-10-21","18:00:00",""
"4127248","10.703","0.003","16.17","0.005","22.076","0.006","90","","92.57","0.008","90","","3816.8","1.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Cl6 N3 O18 Tb2 -","- C27 H21 Cl6 N3 O18 Tb2 -","- C108 H84 Cl24 N12 O72 Tb8 -","4","0.5","","Wang, Yaxing; Liu, Xin; Li, Xiaoyan; Zhai, Fuwan; Yan, Siqi; Liu, Ning; Chai, Zhifang; Xu, Yadong; Ouyang, Xiaoping; Wang, Shuao","Direct Radiation Detection by a Semiconductive Metal-Organic Framework.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b01270","","","0.71073","MoKα","","0.0672","0.0495","","","0.1145","0.1214","","","","","","1.052","","","","has coordinates","215095","2020-10-21","18:00:00",""
"4127249","31.1172","0.0002","59.4899","0.0003","49.3791","0.0006","90","","92.154","0.001","90","","91344","1.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C317.33 H285.48 B34.92 Cs0.36 F2.7 Fe4 N37.58 O8.8 S0.9 -","- C314.15 H285.475 B38.1 Cs0.3645 F2.7 Fe4 N37.575 O8.8 S0.9 -","- C2513.2 H2283.8 B304.8 Cs2.916 F21.6 Fe32 N300.6 O70.4 S7.2 -","8","2","","Zhang, Dawei; Ronson, Tanya K.; Greenfield, Jake L.; Brotin, Thierry; Berthault, Patrick; Léonce, Estelle; Zhu, Jun-Long; Xu, Lin; Nitschke, Jonathan R.","Enantiopure [Cs<sup>+</sup>/Xe⊂Cryptophane]⊂Fe<sup>II</sup><sub>4</sub>L<sub>4</sub> Hierarchical Superstructures.","Journal of the American Chemical Society","2019","141","20","8339","8345","10.1021/jacs.9b02866","","","0.6889","Synchrotron","","0.1864","0.1183","","","0.3178","0.3703","","","","","","1.096","","","","has coordinates,has disorder","223193","2020-10-21","18:00:00",""
"4127250","19.568","0.003","13.466","0.0019","36.178","0.005","90","","90","","90","","9533","2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C40.67 H22.33 B12 F20 N4 -","- C40.675 H22.325 B12 F20 N4 -","- C325.4 H178.6 B96 F160 N32 -","8","2","","Liu, Yizhen; Su, Bo; Dong, Weishi; Li, Zhen Hua; Wang, Huadong","Structural Characterization of a Boron(III) η<sup>2</sup>-σ-Silane-Complex.","Journal of the American Chemical Society","2019","141","20","8358","8363","10.1021/jacs.9b03213","","","0.71073","MoKα","","0.1082","0.0623","","","0.1549","0.184","","","","","","0.932","","","","has coordinates","223195","2020-10-21","18:00:00",""
"4127251","11.1361","0.0003","19.7611","0.0005","23.9982","0.0006","90","","93.821","0.001","90","","5269.3","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H45 B12 Br F20 N2 Si -","- C45 H45 B12 Br F20 N2 Si -","- C180 H180 B48 Br4 F80 N8 Si4 -","4","1","","Liu, Yizhen; Su, Bo; Dong, Weishi; Li, Zhen Hua; Wang, Huadong","Structural Characterization of a Boron(III) η<sup>2</sup>-σ-Silane-Complex.","Journal of the American Chemical Society","2019","141","20","8358","8363","10.1021/jacs.9b03213","","","1.34138","GaKα","","0.1215","0.0954","","","0.2789","0.305","","","","","","1.041","","","","has coordinates","223195","2020-10-21","18:00:00",""
"4127252","12.895","0.004","13.313","0.005","9.993","0.003","90","","90","","90","","1715.5","1","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H25 B11 N2 -","- C9 H25 B11 N2 -","- C36 H100 B44 N8 -","4","0.5","","Liu, Yizhen; Su, Bo; Dong, Weishi; Li, Zhen Hua; Wang, Huadong","Structural Characterization of a Boron(III) η<sup>2</sup>-σ-Silane-Complex.","Journal of the American Chemical Society","2019","141","20","8358","8363","10.1021/jacs.9b03213","","","0.71073","MoKα","","0.1059","0.0927","","","0.2138","0.2206","","","","","","1.14","","","","has coordinates","223195","2020-10-21","18:00:00",""
"4127253","15.9671","0.0016","22.041","0.002","18.9148","0.0018","90","","106.561","0.002","90","","6380.6","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H33.5 Br0.5 Co0.5 N -","- C42 H33.5 Br0.5 Co0.5 N -","- C336 H268 Br4 Co4 N8 -","8","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.1577","0.0887","","","0.1894","0.2186","","","","","","1.112","","","","has coordinates,has disorder","223202","2020-10-21","18:00:00",""
"4127254","12.594","0.009","14.092","0.01","20.413","0.016","75.348","0.011","84.047","0.01","64.97","0.012","3176","4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H67 Co N2 -","- C84 H67 Co N2 -","- C168 H134 Co2 N4 -","2","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.1082","0.0849","","","0.2532","0.2734","","","","","","1.042","","","","has coordinates,has disorder","223202","2020-10-21","18:00:00",""
"4127255","11.9404","0.001","16.2194","0.0013","16.2288","0.0014","87.845","0.002","87.553","0.002","72.424","0.002","2992.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H70 Co N3 -","- C79 H70 Co N3 -","- C158 H140 Co2 N6 -","2","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.1455","0.0725","","","0.138","0.1628","","","","","","1.022","","","","has coordinates,has disorder","223202","2020-10-21","18:00:00",""
"4127256","12.0205","0.0016","16.024","0.002","16.411","0.002","87.612","0.003","72.643","0.003","88.139","0.003","3013.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H68 Co N3 -","- C74 H68 Co N3 -","- C148 H136 Co2 N6 -","2","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.2465","0.0895","","","0.1843","0.2349","","","","","","0.956","","","","has coordinates","223202","2020-10-21","18:00:00",""
"4127257","16.068","0.001","16.5966","0.001","24.9849","0.0015","74.791","0.002","73.522","0.002","85.35","0.002","6165.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C166 H144 Co2 N6 -","- C166 H144 Co2 N6 -","- C332 H288 Co4 N12 -","2","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.2475","0.1113","","","0.1773","0.2265","","","","","","1.01","","","","has coordinates,has disorder","223202","2020-10-21","18:00:00",""
"4127258","12.7287","0.0007","16.217","0.0009","33.8667","0.0019","90","","95.843","0.002","90","","6954.5","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H79 Co N6 -","- C80 H79 Co N6 -","- C320 H316 Co4 N24 -","4","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.0733","0.0489","","","0.1044","0.1166","","","","","","1.062","","","","has coordinates","223202","2020-10-21","18:00:00",""
"4127259","13.4875","0.0007","16.1414","0.0008","33.4198","0.0017","90","","98.765","0.002","90","","7190.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C88 H97 Co N6 -","- C88 H97 Co N6 -","- C352 H388 Co4 N24 -","4","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.129","0.0734","","","0.1422","0.1676","","","","","","1.066","","","","has coordinates,has disorder","223202","2020-10-21","18:00:00",""
"4127260","47.858","0.01","18.405","0.004","18.553","0.004","90","","103.82","0.03","90","","15869","6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C86 H79 Co N6 -","- C86 H79 Co N6 -","- C688 H632 Co8 N48 -","8","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.0638","0.044","","","0.0968","0.1053","","","","","","1.048","","","","has coordinates","223202","2020-10-21","18:00:00",""
"4127261","33.412","0.005","33.412","0.005","14.63","0.003","90","","90","","90","","16332","5","100","2","100","2","","","","","","","","8","P 42/n :2","-P 4bc","86","","","","- C152 H224 F72 N52 O28 P12 Pd8 S4 -","- C152 H224 F72 N52 O28 P12 Pd8 S4 -","- C304 H448 F144 N104 O56 P24 Pd16 S8 -","2","0.25","","Saha, Rupak; Devaraj, Anthonisamy; Bhattacharyya, Soumalya; Das, Soumik; Zangrando, Ennio; Mukherjee, Partha Sarathi","Unusual Behaviour of Donor-Acceptor Stenhouse Adducts (DASA) in Confined Space of a Water Soluble PdII8 Molecular Vessel.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b03924","","","0.7","synchrotron","","0.1122","0.0751","","","0.2217","0.2452","","","","","","0.941","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4127262","13.3439","0.0011","13.9184","0.0011","25.1806","0.0019","93.843","0.005","90.086","0.005","109.902","0.005","4386","0.6","100","2","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H126 B Br Fe O6 P3 -","- C96 H126 B Br Fe O6 P3 -","- C192 H252 B2 Br2 Fe2 O12 P6 -","2","1","","Nesbit, Mark A.; Oyala, Paul H.; Peters, Jonas C.","Characterization of the Earliest Intermediate of Fe-N<sub>2</sub> Protonation: CW and Pulse EPR Detection of an Fe-NNH Species and Its Evolution to Fe-NNH<sub>2</sub><sup/>.","Journal of the American Chemical Society","2019","141","20","8116","8127","10.1021/jacs.8b12082","","","1.54178","CuKα","","0.1526","0.1122","","","0.2578","0.2874","","","","","","1.05","","","","has coordinates","223194","2020-10-21","18:00:00",""
"4127263","11.8779","0.0008","14.7827","0.0009","27.0968","0.0017","86.055","0.003","81.569","0.003","89.245","0.003","4695.3","0.5","100","2","99.98","","","","","","","","","7","P -1","-P 1","2","","","","- C101 H138 B Fe N2 O6 P3 -","- C101 H138 B Fe N2 O6 P3 -","- C202 H276 B2 Fe2 N4 O12 P6 -","2","1","","Nesbit, Mark A.; Oyala, Paul H.; Peters, Jonas C.","Characterization of the Earliest Intermediate of Fe-N<sub>2</sub> Protonation: CW and Pulse EPR Detection of an Fe-NNH Species and Its Evolution to Fe-NNH<sub>2</sub><sup/>.","Journal of the American Chemical Society","2019","141","20","8116","8127","10.1021/jacs.8b12082","","","0.71073","MoKα","","0.1263","0.0695","","","0.1409","0.1623","","","","","","1.038","","","","has coordinates","223194","2020-10-21","18:00:00",""
"4127264","7.9408","0.0003","8.7181","0.0003","10.1314","0.0003","94.734","0.003","99.553","0.003","102.843","0.003","669.13","0.04","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Br N2 P4 Re -","- C20 H48 Br N2 P4 Re -","- C20 H48 Br N2 P4 Re -","1","0.5","","Shanahan, James P.; Szymczak, Nathaniel K.","Hydrogen Bonding to a Dinitrogen Complex at Room Temperature: Impacts on N<sub>2</sub> Activation.","Journal of the American Chemical Society","2019","141","21","8550","8556","10.1021/jacs.9b02288","","x-ray","1.54184","CuKα","","0.0389","0.0389","","","0.1087","0.1087","","","","","","1.124","","","","has coordinates,has disorder","223211","2020-10-21","18:00:00",""
"4127265","7.6915","0.0003","13.4945","0.0006","16.2687","0.0007","90","","90","","90","","1688.58","0.12","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 O8 S -","- C14 H18 N2 O8 S -","- C56 H72 N8 O32 S4 -","4","1","","Zeng, Jing; Wang, Ruobin; Zhang, Shuxin; Fang, Jing; Liu, Shanshan; Sun, Guangfei; Xu, Bingbing; Xiao, Ying; Fu, Dengxian; Zhang, Wenqi; Hu, Yixin; Wan, Qian","Hydrogen-Bonding-Assisted Exogenous Nucleophilic Reagent Effect for β-Selective Glycosylation of Rare 3-Amino Sugars.","Journal of the American Chemical Society","2019","141","21","8509","8515","10.1021/jacs.9b01862","","","1.54178","CuKα","","0.0469","0.045","","","0.1146","0.1211","","","","","","1.125","","","","has coordinates","223208","2020-10-21","18:00:00",""
"4127266","6.3115","0.0001","6.3115","0.0001","6.3115","0.0001","90","","90","","90","","251.419","0.007","293","","293","","","","","","","","","6","P m -3 m","-P 4 2 3","221","20% ethylenediamonium formamidinium methylamonium lead tin iodide","","","- C H0 I3 N2.503 Pb0.388 Sn0.412 -","- C I3 N2.52 Pb0.3885 Sn0.4124 -","- C I3 N2.52 Pb0.3885 Sn0.4124 -","1","0.0208333","","Ke, Weijun; Spanopoulos, Ioannis; Tu, Qing; Hadar, Ido; Li, Xiaotong; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Ethylenediammonium-Based ""Hollow"" Pb/Sn Perovskites with Ideal Band Gap Yield Solar Cells with Higher Efficiency and Stability.","Journal of the American Chemical Society","2019","141","21","8627","8637","10.1021/jacs.9b03662","","x-ray","0.71073","MoKα","","0.0434","0.0432","","","0.1181","0.1182","","","","4.47","4.47","4.43","","","","has coordinates","223210","2020-10-21","18:00:00",""
"4127267","6.3063","0.0004","6.3063","0.0004","6.3063","0.0004","90","","90","","90","","250.8","0.03","293","","293","","","","","","","","","6","P m -3 m","-P 4 2 3","221","5% ethylenediamonium formamidinium methylamonium lead tin iodide","","","- C H0 I3 N0.96 Pb0.524 Sn0.433 -","- C I3 N0.96 Pb0.5236 Sn0.433 -","- C I3 N0.96 Pb0.5236 Sn0.433 -","1","0.0208333","","Ke, Weijun; Spanopoulos, Ioannis; Tu, Qing; Hadar, Ido; Li, Xiaotong; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Ethylenediammonium-Based ""Hollow"" Pb/Sn Perovskites with Ideal Band Gap Yield Solar Cells with Higher Efficiency and Stability.","Journal of the American Chemical Society","2019","141","21","8627","8637","10.1021/jacs.9b03662","","x-ray","0.71073","MoKα","","0.0231","0.0231","","","0.069","0.069","","","","2.51","2.51","2.51","","","","has coordinates","223210","2020-10-21","18:00:00",""
"4127268","6.1765","0.0001","9.2268","0.0001","24.6586","0.0002","90","","90","","90","","1405.28","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 N O3 S -","- C13 H21 N O3 S -","- C52 H84 N4 O12 S4 -","4","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-Type Alkaloids: Total Syntheses of (-)-Daphlongamine H and (-)-Isodaphlongamine H.","Journal of the American Chemical Society","2019","141","21","8431","8435","10.1021/jacs.9b03576","","","1.54184","CuKα","","0.0249","0.0249","","","0.066","0.066","","","","","","1.047","","","","has coordinates","223207","2020-10-21","18:00:00",""
"4127269","27.458","0.003","36.623","0.004","21.558","0.003","90","","116.955","0.002","90","","19324","4","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C288 H378 Co18 N8 O103 -","- C288 H66 Co18 N8 O103 -","- C576 H132 Co36 N16 O206 -","2","0.25","","Hu, Xiangquan; Chai, Jie; Zhang, Chen; Lang, Jinxin; Kelley, Steven P.; Feng, Sisi; Liu, Bin; Atwood, David A.; Atwood, Jerry L.","Biomimetic Self-Assembly of Co<sup>II</sup>-Seamed Hexameric Metal-Organic Nanocapsules.","Journal of the American Chemical Society","2019","141","23","9151","9154","10.1021/jacs.9b02857","","","0.71073","MoKα","","0.153","0.1176","","","0.3582","0.3891","","","","","","1.627","","","","has coordinates,has disorder","223204","2020-10-21","18:00:00",""
"4127270","10.769","0.002","42.392","0.009","21.858","0.005","90","","92.984","0.003","90","","9965","4","93","","93","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H100 N36 Ni8 O48.5 -","- C48 H100 N36 Ni8 O48.5 -","- C192 H400 N144 Ni32 O194 -","4","1","","Miyake, Ryosuke; Ando, Akira; Ueno, Manami; Muraoka, Takahiro","Formation of Giant and Small Cyclic Complexes from a Flexible Tripeptide Ligand Controlled by Metal Coordination and Hydrogen Bonds.","Journal of the American Chemical Society","2019","141","22","8675","8679","10.1021/jacs.9b01541","","","0.71073","MoKα","","0.1135","0.0712","","","0.1501","0.1681","","","","","","0.996","","","","has coordinates","223196","2020-10-21","18:00:00",""
"4127271","19.2821","0.0004","19.3677","0.0004","34.7903","0.0005","88.3916","0.0013","86.2435","0.0013","85.6543","0.0015","12923.8","0.4","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C216 H180 Ag32 Cd12 Se36 -","- C216 H180 Ag32 Cd12 Se36 -","- C432 H360 Ag64 Cd24 Se72 -","2","1","","Bootharaju, Megalamane S.; Chang, Hogeun; Deng, Guocheng; Malola, Sami; Baek, Woonhyuk; Häkkinen, Hannu; Zheng, Nanfeng; Hyeon, Taeghwan","Cd<sub>12</sub>Ag<sub>32</sub>(SePh)<sub>36</sub>: Non-Noble Metal Doped Silver Nanoclusters.","Journal of the American Chemical Society","2019","141","21","8422","8425","10.1021/jacs.9b03257","","x-ray","1.54184","CuKα","","0.0741","0.063","","","0.1565","0.1666","","","","","","1.075","","","","has coordinates","223205","2020-10-21","18:00:00",""
"4127272","9.786","0.002","18.799","0.005","18.955","0.005","90","","90.261","0.005","90","","3487.1","1.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H51 Ag N2 -","- C39 H51 Ag N2 -","- C156 H204 Ag4 N8 -","4","2","","Hamze, Rasha; Shi, Shuyang; Kapper, Savannah C.; Muthiah Ravinson, Daniel Sylvinson; Estergreen, Laura; Jung, Moon-Chul; Tadle, Abegail C.; Haiges, Ralf; Djurovich, Peter I.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy; Bradforth, Stephen E.; Thompson, Mark E.","""Quick-Silver"" from a Systematic Study of Highly Luminescent, Two-Coordinate, d<sup>10</sup> Coinage Metal Complexes.","Journal of the American Chemical Society","2019","141","21","8616","8626","10.1021/jacs.9b03657","","","0.71073","MoKα","","0.0631","0.0415","","","0.0799","0.0869","","","","","","1.011","","","","has coordinates","223206","2020-10-21","18:00:00",""
"4127273","9.17","0.002","15.012","0.003","9.662","0.002","90","","93.909","0.004","90","","1327","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H43 Ag Cl N -","- C27 H43 Ag Cl N -","- C54 H86 Ag2 Cl2 N2 -","2","1","","Hamze, Rasha; Shi, Shuyang; Kapper, Savannah C.; Muthiah Ravinson, Daniel Sylvinson; Estergreen, Laura; Jung, Moon-Chul; Tadle, Abegail C.; Haiges, Ralf; Djurovich, Peter I.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy; Bradforth, Stephen E.; Thompson, Mark E.","""Quick-Silver"" from a Systematic Study of Highly Luminescent, Two-Coordinate, d<sup>10</sup> Coinage Metal Complexes.","Journal of the American Chemical Society","2019","141","21","8616","8626","10.1021/jacs.9b03657","","","0.71073","MoKα","","0.0379","0.0342","","","0.0814","0.0838","","","","","","1.043","","","","has coordinates","223206","2020-10-21","18:00:00",""
"4127274","9.808","0.0005","18.5499","0.0009","18.9205","0.001","90","","91.464","0.001","90","","3441.2","0.3","102","2","102","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H51 Au N2 -","- C39 H51 Au N2 -","- C156 H204 Au4 N8 -","4","1","","Hamze, Rasha; Shi, Shuyang; Kapper, Savannah C.; Muthiah Ravinson, Daniel Sylvinson; Estergreen, Laura; Jung, Moon-Chul; Tadle, Abegail C.; Haiges, Ralf; Djurovich, Peter I.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy; Bradforth, Stephen E.; Thompson, Mark E.","""Quick-Silver"" from a Systematic Study of Highly Luminescent, Two-Coordinate, d<sup>10</sup> Coinage Metal Complexes.","Journal of the American Chemical Society","2019","141","21","8616","8626","10.1021/jacs.9b03657","","","0.71073","MoKα","","0.0267","0.0206","","","0.0413","0.0428","","","","","","1.056","","","","has coordinates","223206","2020-10-21","18:00:00",""
"4127275","13.575","0.009","23.606","0.015","12.982","0.011","90","","113.56","0.03","90","","3813","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H50 Au N3 O -","- C42 H50 Au N3 O -","- C168 H200 Au4 N12 O4 -","4","0.5","","Hamze, Rasha; Shi, Shuyang; Kapper, Savannah C.; Muthiah Ravinson, Daniel Sylvinson; Estergreen, Laura; Jung, Moon-Chul; Tadle, Abegail C.; Haiges, Ralf; Djurovich, Peter I.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy; Bradforth, Stephen E.; Thompson, Mark E.","""Quick-Silver"" from a Systematic Study of Highly Luminescent, Two-Coordinate, d<sup>10</sup> Coinage Metal Complexes.","Journal of the American Chemical Society","2019","141","21","8616","8626","10.1021/jacs.9b03657","","","0.71073","MoKα","","0.0127","0.0121","","","0.0308","0.031","","","","","","1.074","","","","has coordinates,has disorder","223206","2020-10-21","18:00:00",""
"4127276","13.63","0.03","23.89","0.04","12.85","0.03","90","","113.92","0.03","90","","3825","14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","C42H51AgN3O","","","- C42 H50 Ag N3 O -","- C42 H50 Ag N3 O -","- C168 H200 Ag4 N12 O4 -","4","0.5","","Hamze, Rasha; Shi, Shuyang; Kapper, Savannah C.; Muthiah Ravinson, Daniel Sylvinson; Estergreen, Laura; Jung, Moon-Chul; Tadle, Abegail C.; Haiges, Ralf; Djurovich, Peter I.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy; Bradforth, Stephen E.; Thompson, Mark E.","""Quick-Silver"" from a Systematic Study of Highly Luminescent, Two-Coordinate, d<sup>10</sup> Coinage Metal Complexes.","Journal of the American Chemical Society","2019","141","21","8616","8626","10.1021/jacs.9b03657","","","0.71073","MoKα","","0.0738","0.0646","","","0.1721","0.181","","","","","","1.119","","","","has coordinates,has disorder","223206","2020-10-21","18:00:00",""
"4127277","5.7759","0.0002","10.3846","0.0004","11.5759","0.0004","76.493","0.002","89.622","0.003","78.571","0.002","661.16","0.04","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 F2 N O -","- C15 H17 F2 N O -","- C30 H34 F4 N2 O2 -","2","1","","Flodén, Nils J; Trowbridge, Aaron; Willcox, Darren; Walton, Scarlett M.; Kim, Yongjoon; Gaunt, Matthew J.","Streamlined Synthesis of C(sp<sup>3</sup>)-Rich N-Heterospirocycles Enabled by Visible-Light-Mediated Photocatalysis.","Journal of the American Chemical Society","2019","141","21","8426","8430","10.1021/jacs.9b03372","","","1.54178","CuKα","","0.0703","0.0463","","","0.0976","0.1076","","","","","","1.046","","","","has coordinates","223209","2020-10-21","18:00:00",""
"4127278","16.556","0.003","5.9897","0.0011","17.839","0.002","90","","92.033","0.011","90","","1767.9","0.5","180","2","180","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C76 H104 N8 O8 -","4","1","","Flodén, Nils J; Trowbridge, Aaron; Willcox, Darren; Walton, Scarlett M.; Kim, Yongjoon; Gaunt, Matthew J.","Streamlined Synthesis of C(sp<sup>3</sup>)-Rich N-Heterospirocycles Enabled by Visible-Light-Mediated Photocatalysis.","Journal of the American Chemical Society","2019","141","21","8426","8430","10.1021/jacs.9b03372","","","1.54178","CuKα","","0.1315","0.075","","","0.1728","0.2021","","","","","","1.045","","","","has coordinates","223209","2020-10-21","18:00:00",""
"4127279","11.443","0.0004","14.658","0.0004","16.1254","0.0005","90","","90","","90","","2704.74","0.15","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 N2 O3 S -","- C29 H34 N2 O3 S -","- C116 H136 N8 O12 S4 -","4","1","","Devannah, Vijayarajan; Sharma, Rajgopal; Watson, Donald A.","Nickel-Catalyzed Asymmetric C-Alkylation of Nitroalkanes: Synthesis of Enantioenriched β-Nitroamides.","Journal of the American Chemical Society","2019","141","21","8436","8440","10.1021/jacs.9b04175","","","1.54178","CuKα","","0.0744","0.0647","","","0.1775","0.1898","","","","","","1.181","","","","has coordinates","223212","2020-10-21","18:00:00",""
"4127280","9.7516","0.0003","13.2713","0.0004","15.4202","0.0005","90","","90","","90","","1995.63","0.11","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C84 H96 N8 O20 -","4","1","","Devannah, Vijayarajan; Sharma, Rajgopal; Watson, Donald A.","Nickel-Catalyzed Asymmetric C-Alkylation of Nitroalkanes: Synthesis of Enantioenriched β-Nitroamides.","Journal of the American Chemical Society","2019","141","21","8436","8440","10.1021/jacs.9b04175","","","1.54178","CuKα","","0.0431","0.0415","","","0.1138","0.1145","","","","","","1.02","","","","has coordinates","223212","2020-10-21","18:00:00",""
"4127281","9.4957","0.0003","12.3869","0.0004","12.5187","0.0004","90","","90","","90","","1472.48","0.08","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","","Devannah, Vijayarajan; Sharma, Rajgopal; Watson, Donald A.","Nickel-Catalyzed Asymmetric C-Alkylation of Nitroalkanes: Synthesis of Enantioenriched β-Nitroamides.","Journal of the American Chemical Society","2019","141","21","8436","8440","10.1021/jacs.9b04175","","","1.54178","CuKα","","0.0297","0.0293","","","0.079","0.0796","","","","","","1.071","","","","has coordinates","223212","2020-10-21","18:00:00",""
"4127282","4.01245","0.00007","4.01245","0.00007","4.01245","0.00007","90","","90","","90","","64.599","0.002","300","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- F3 Sc -","- F3 Sc -","- F3 Sc -","1","0.0208333","","Hu, Lei; Chen, Jun; Fan, Longlong; Ren, Yang; Rong, Yangchun; Pan, Zhao; Deng, Jinxia; Yu, Ranbo; Xing, Xianran","Zero thermal expansion and ferromagnetism in cubic Sc1-x Mx F3 (M = Ga, Fe) over a wide temperature range","Journal of the American Chemical Society","2014","136","39","13566","13569","10.1021/ja5077487","","","","","","","","","","","","","","","","","","","","","has coordinates","256727","2020-10-21","18:00:00",""
"4127283","13.9028","0.0003","14.2795","0.0003","16.7217","0.0004","112.768","0.001","103.651","0.001","91.157","0.001","2951.4","0.12","273.15","","273.15","","","","","","","","","6","P 1","P 1","1","","T3145","","- C81 H86 N2 O26 S4 Zn4 -","- C81 H86 N2 O26 S4 Zn4 -","- C81 H86 N2 O26 S4 Zn4 -","1","1","","Tan, Chunxia; Yang, Kuiwei; Dong, Jinqiao; Liu, Yuhao; Liu, Yan; Jiang, Jianwen; Cui, Yong","Boosting Enantioselectivity of Chiral Organocatalysts with Ultrathin Two-Dimensional Metal-Organic Framework Nanosheets.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07633","","","1.54178","CuKα","","0.0262","0.0243","","","0.0603","0.0608","","","","","","1.006","","","","has coordinates","219554","2020-10-21","18:00:00",""
"4127284","14.1506","0.0013","14.1506","0.0013","14.793","0.003","90","","90","","90","","2962.1","0.7","260.84","","260.84","","","","","","","","","5","P 4","P 4","75","","","","- C84 H68 O25 S4 Zn4 -","- C84 H68 O25 S4 Zn4 -","- C84 H68 O25 S4 Zn4 -","1","0.25","","Tan, Chunxia; Yang, Kuiwei; Dong, Jinqiao; Liu, Yuhao; Liu, Yan; Jiang, Jianwen; Cui, Yong","Boosting Enantioselectivity of Chiral Organocatalysts with Ultrathin Two-Dimensional Metal-Organic Framework Nanosheets.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07633","","","0.71073","MoKα","","0.0993","0.0453","","","0.1062","0.1278","","","","","","0.925","","","","has coordinates","219555","2020-10-21","18:00:00",""
"4127285","10.557","0.0008","11.4035","0.0009","14.3239","0.0012","90","","108.725","0.009","90","","1633.1","0.2","195","","195","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 Cu F N O8 -","- C15 H6 Cu F N O8 -","- C60 H24 Cu4 F4 N4 O32 -","4","1","","Yu, Mei-Hui; Space, Brian; Franz, Douglas; Zhou, Wei; He, Chaohui; Li, Libo; Krishna, Rajamani; Chang, Ze; Li, Wei; Hu, Tong-Liang; Bu, Xian-He","Enhanced Gas Uptake in a Microporous Metal-Organic Framework <i>via</i> a Sorbate Induced-Fit Mechanism.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07807","","","1.54184","CuKα","","0.0939","0.078","","","0.2068","0.2265","","","","","","1.061","","","","has coordinates","219556","2020-10-21","18:00:00",""
"4127286","10.551","0.002","11.001","0.002","14.83","0.003","90","","108.79","0.03","90","","1629.6","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cu F N2 O5 -","- C16 H13 Cu F N2 O5 -","- C64 H52 Cu4 F4 N8 O20 -","4","1","","Yu, Mei-Hui; Space, Brian; Franz, Douglas; Zhou, Wei; He, Chaohui; Li, Libo; Krishna, Rajamani; Chang, Ze; Li, Wei; Hu, Tong-Liang; Bu, Xian-He","Enhanced Gas Uptake in a Microporous Metal-Organic Framework <i>via</i> a Sorbate Induced-Fit Mechanism.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07807","","","0.71073","MoKα","","0.1177","0.0741","","","0.1244","0.1361","","","","","","1.131","","","","has coordinates","219557","2020-10-21","18:00:00",""
"4127287","10.488","0.002","10.412","0.002","15.057","0.003","90","","107.13","0.03","90","","1571.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H24 Cu4 F4 N5 O16 -","- C52 H24 Cu4 F4 N5 O16 -","- C52 H24 Cu4 F4 N5 O16 -","1","0.25","","Yu, Mei-Hui; Space, Brian; Franz, Douglas; Zhou, Wei; He, Chaohui; Li, Libo; Krishna, Rajamani; Chang, Ze; Li, Wei; Hu, Tong-Liang; Bu, Xian-He","Enhanced Gas Uptake in a Microporous Metal-Organic Framework <i>via</i> a Sorbate Induced-Fit Mechanism.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07807","","","0.71073","MoKα","","0.0813","0.0756","","","0.2463","0.2517","","","","","","1.109","","","","has coordinates","219558","2020-10-21","18:00:00",""
"4127288","10.4862","0.0002","10.5374","0.0003","15.0449","0.0004","90","","106.838","0.003","90","","1591.15","0.07","298","0.1","298","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 Cu F N O4 -","- C13 H6 Cu F N O4 -","- C52 H24 Cu4 F4 N4 O16 -","4","1","","Yu, Mei-Hui; Space, Brian; Franz, Douglas; Zhou, Wei; He, Chaohui; Li, Libo; Krishna, Rajamani; Chang, Ze; Li, Wei; Hu, Tong-Liang; Bu, Xian-He","Enhanced Gas Uptake in a Microporous Metal-Organic Framework <i>via</i> a Sorbate Induced-Fit Mechanism.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07807","","x-ray","1.54184","CuKα","","0.0544","0.0407","","","0.1014","0.107","","","","","","1.044","","","","has coordinates","219559","2020-10-21","18:00:00",""
"4127289","10.5629","0.0002","11.3332","0.0002","14.6254","0.0003","90","","108.254","0.002","90","","1662.72","0.06","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 Cu F N7 O4 -","- C13 H6 Cu F N7 O4 -","- C52 H24 Cu4 F4 N28 O16 -","4","1","","Yu, Mei-Hui; Space, Brian; Franz, Douglas; Zhou, Wei; He, Chaohui; Li, Libo; Krishna, Rajamani; Chang, Ze; Li, Wei; Hu, Tong-Liang; Bu, Xian-He","Enhanced Gas Uptake in a Microporous Metal-Organic Framework <i>via</i> a Sorbate Induced-Fit Mechanism.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07807","","x-ray","1.54184","CuKα","","0.0652","0.0571","","","0.1605","0.1666","","","","","","1.041","","","","has coordinates","219560","2020-10-21","18:00:00",""
"4127290","10.489","0.0003","10.4486","0.0004","15.1078","0.0007","90","","106.787","0.004","90","","1585.19","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H24 Cu4 F4 N4 O16 -","- C53 H24 Cu4 F4 N4 O16 -","- C53 H24 Cu4 F4 N4 O16 -","1","0.25","","Yu, Mei-Hui; Space, Brian; Franz, Douglas; Zhou, Wei; He, Chaohui; Li, Libo; Krishna, Rajamani; Chang, Ze; Li, Wei; Hu, Tong-Liang; Bu, Xian-He","Enhanced Gas Uptake in a Microporous Metal-Organic Framework <i>via</i> a Sorbate Induced-Fit Mechanism.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07807","","","1.54178","CuKα","","0.119","0.1056","","","0.3028","0.3176","","","","","","1.235","","","","has coordinates","219561","2020-10-21","18:00:00",""
"4127291","10.5743","0.0007","10.6558","0.0007","15.2273","0.0012","90","","108.493","0.008","90","","1627.2","0.2","298","20","298","20","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 Cu2 F2 N2 O8 -","- C29 H22 Cu2 F2 N2 O8 -","- C58 H44 Cu4 F4 N4 O16 -","2","0.5","","Yu, Mei-Hui; Space, Brian; Franz, Douglas; Zhou, Wei; He, Chaohui; Li, Libo; Krishna, Rajamani; Chang, Ze; Li, Wei; Hu, Tong-Liang; Bu, Xian-He","Enhanced Gas Uptake in a Microporous Metal-Organic Framework <i>via</i> a Sorbate Induced-Fit Mechanism.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07807","","x-ray","1.54184","CuKα","","0.1546","0.1033","","","0.3179","0.3438","","","","","","1.095","","","","has coordinates","219562","2020-10-21","18:00:00",""
"4127292","31.1081","0.0006","34.5316","0.0005","35.206","0.0006","90","","90","","90","","37818.7","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C252 H312 Ag42 F18 O24 S28 -","- C252 H312 Ag42 F18 O24 S28 -","- C1008 H1248 Ag168 F72 O96 S112 -","4","1","","Wang, Zhi; Liu, Jia-Wei; Su, Hai-Feng; Zhao, Quan-Qin; Kurmoo, Mohamedally; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Chalcogens-Induced Ag<sub>6</sub>Z<sub>4</sub>@Ag<sub>36</sub> (Z = S or Se) Core-Shell Nanoclusters: Enlarged Tetrahedral Core and Homochiral Crystallization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09460","","x-ray","1.54184","CuKα","","0.1602","0.105","","","0.2779","0.3333","","","","","","0.98","","","","has coordinates","219563","2020-10-21","18:00:00",""
"4127293","30.9371","0.0003","34.2544","0.0004","35.0758","0.0003","90","","90","","90","","37170.9","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C252 H312 Ag42 F18 O24 S28 -","- C252 H312 Ag42 F18 O24 S28 -","- C1008 H1248 Ag168 F72 O96 S112 -","4","1","","Wang, Zhi; Liu, Jia-Wei; Su, Hai-Feng; Zhao, Quan-Qin; Kurmoo, Mohamedally; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Chalcogens-Induced Ag<sub>6</sub>Z<sub>4</sub>@Ag<sub>36</sub> (Z = S or Se) Core-Shell Nanoclusters: Enlarged Tetrahedral Core and Homochiral Crystallization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09460","","x-ray","1.54184","CuKα","","0.1325","0.1129","","","0.306","0.3446","","","","","","1.287","","","","has coordinates","219563","2020-10-21","18:00:00",""
"4127294","31.1298","0.0006","35.2224","0.0004","33.9869","0.0004","90","","90","","90","","37265.5","0.9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C252 H312 Ag42 F18 O24 S24 Se4 -","- C252 H312 Ag42 F18 O24 S24 Se4 -","- C1008 H1248 Ag168 F72 O96 S96 Se16 -","4","1","","Wang, Zhi; Liu, Jia-Wei; Su, Hai-Feng; Zhao, Quan-Qin; Kurmoo, Mohamedally; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Chalcogens-Induced Ag<sub>6</sub>Z<sub>4</sub>@Ag<sub>36</sub> (Z = S or Se) Core-Shell Nanoclusters: Enlarged Tetrahedral Core and Homochiral Crystallization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09460","","x-ray","1.54184","CuKα","","0.1151","0.0947","","","0.25","0.2711","","","","","","1.035","","","","has coordinates","219563","2020-10-21","18:00:00",""
"4127295","30.9548","0.0006","33.9141","0.0005","35.3758","0.0006","90","","90","","90","","37137.7","1.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C252 H312 Ag42 F18 O24 S24 Se4 -","- C252 H312 Ag42 F18 O24 S24 Se4 -","- C1008 H1248 Ag168 F72 O96 S96 Se16 -","4","1","","Wang, Zhi; Liu, Jia-Wei; Su, Hai-Feng; Zhao, Quan-Qin; Kurmoo, Mohamedally; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Chalcogens-Induced Ag<sub>6</sub>Z<sub>4</sub>@Ag<sub>36</sub> (Z = S or Se) Core-Shell Nanoclusters: Enlarged Tetrahedral Core and Homochiral Crystallization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09460","","x-ray","1.54184","CuKα","","0.1204","0.0861","","","0.2426","0.2693","","","","","","1.054","","","","has coordinates","219563","2020-10-21","18:00:00",""
"4127296","10","0.002","11.94","0.002","19.829","0.011","90","","90","","90","","2367.6","1.5","100","2","100","2","","","","","","","","4","I m m m","-I 2 2","71","","","","- C18 H10 O40 Zr6 -","- C18 H10 O40 Zr6 -","- C36 H20 O80 Zr12 -","2","0.125","","Wang, Sujing; Xhaferaj, Nertil; Wahiduzzaman, Mohammad; Oyekan, Kolade; Li, Xiao; Wei, Kevin; Zheng, Bin; Tissot, Antoine; Marrot, Jérôme; Shepard, William; Martineau-Corcos, Charlotte; Filinchuk, Yaroslav; Tan, Kui; Maurin, Guillaume; Serre, Christian","Engineering Structural Dynamics of Zirconium Metal-Organic Frameworks Based on Natural C4 Linkers.","Journal of the American Chemical Society","2019","141","43","17207","17216","10.1021/jacs.9b07816","","","0.8266","synchrotron","","0.1329","0.1086","","","0.3028","0.3548","","","","","","1.17","","","","has coordinates","223197","2020-10-21","18:00:00",""
"4127297","20.2043","0.0014","9.6506","0.0007","15.8482","0.0011","90","","91.3622","0.0011","90","","3089.3","0.4","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 O2 Si2 -","- C37 H32 O2 Si2 -","- C148 H128 O8 Si8 -","4","1","","Rauch, Michael; Strater, Zack; Parkin, Gerard","Selective Conversion of Carbon Dioxide to Formaldehyde via a Bis(silyl)acetal: Incorporation of Isotopically Labeled C<sub>1</sub> Moieties Derived from Carbon Dioxide into Organic Molecules.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08342","","","0.71073","MoKα","","0.089","0.0526","","","0.1242","0.1451","","","","","","1.009","","","","has coordinates","219565","2020-10-21","18:00:00",""
"4127298","11.8773","0.0005","13.7328","0.0006","15.6523","0.0007","92.034","0.002","111.67","0.002","111.675","0.002","2160.73","0.17","100","2","100","2","","","","","","","","3","P -1","-P 1","2","(η5-C5Me5)4Rh5H7.0.5pentane","","","- C42.5 H73 Rh5 -","- C42.5005 H73.001 Rh5 -","- C85.001 H146.002 Rh10 -","2","1","","Kim, Sangmin; Loose, Florian; Bezdek, Máté J; Wang, Xiaoping; Chirik, Paul J.","Hydrogenation of <i>N</i>-Heteroarenes Using Rhodium Precatalysts: Reductive Elimination Leads to Formation of Multimetallic Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09540","","","0.71073","MoKα","","0.0338","0.0272","","","0.0542","0.0574","","","","","","1.129","","","","has coordinates,has disorder","219566","2020-10-21","18:00:00",""
"4127299","11.475","0.0004","13.8939","0.0005","16.9005","0.0006","90","","93.671","0.001","90","","2688.96","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 N Rh2 -","- C33 H39 N Rh2 -","- C132 H156 N4 Rh8 -","4","1","","Kim, Sangmin; Loose, Florian; Bezdek, Máté J; Wang, Xiaoping; Chirik, Paul J.","Hydrogenation of <i>N</i>-Heteroarenes Using Rhodium Precatalysts: Reductive Elimination Leads to Formation of Multimetallic Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09540","","","0.71073","MoKα","","0.0364","0.0276","","","0.0527","0.0557","","","","","","1.092","","","","has coordinates","219567","2020-10-21","18:00:00",""
"4127300","10.3614","0.0008","8.2138","0.0006","16.4833","0.0012","90","","101.626","0.001","90","","1374.05","0.18","88","2","88","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H19 N O3 S -","- C14 H19 N O3 S -","- C56 H76 N4 O12 S4 -","4","2","","Discolo, Christopher A.; Touney, Eric E.; Pronin, Sergey V.","Catalytic Asymmetric Radical-Polar Crossover Hydroalkoxylation.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10645","","","0.71073","MoKα","","0.0637","0.0517","","","0.1109","0.1191","","","","","","1.059","","","","has coordinates","219569","2020-10-21","18:00:00",""
"4127301","13.6652","0.0003","13.9046","0.0004","18.5599","0.0004","106.776","0.002","95.603","0.002","105.556","0.002","3193.67","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H72 Cl2 N6 O2 Th -","- C64 H72 Cl2 N6 O2 Th -","- C128 H144 Cl4 N12 O4 Th2 -","2","1","","Brewster, 2nd, James T; Mangel, Daniel N.; Gaunt, Andrew J.; Saunders, Douglas P.; Zafar, Hadiqa; Lynch, Vincent M.; Boreen, Michael A.; Garner, Mary E.; Goodwin, Conrad A. P.; Settineri, Nicholas S.; Arnold, John; Sessler, Jonathan L.","In-Plane Thorium(IV), Uranium(IV), and Neptunium(IV) Expanded Porphyrin Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09123","","","1.54184","CuKα","","0.0517","0.0467","","","0.1217","0.1272","","","","","","1.028","","","","has coordinates,has disorder","219570","2020-10-21","18:00:00",""
"4127302","14.26444","0.00013","28.6778","0.0002","27.8019","0.0002","90","","103.623","0.0009","90","","11053","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 Cl2 N6 U -","- C56 H56 Cl2 N6 U -","- C448 H448 Cl16 N48 U8 -","8","2","","Brewster, 2nd, James T; Mangel, Daniel N.; Gaunt, Andrew J.; Saunders, Douglas P.; Zafar, Hadiqa; Lynch, Vincent M.; Boreen, Michael A.; Garner, Mary E.; Goodwin, Conrad A. P.; Settineri, Nicholas S.; Arnold, John; Sessler, Jonathan L.","In-Plane Thorium(IV), Uranium(IV), and Neptunium(IV) Expanded Porphyrin Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09123","","","1.54184","CuKα","","0.056","0.0548","","","0.1304","0.131","","","","","","1.193","","","","has coordinates,has disorder","219571","2020-10-21","18:00:00",""
"4127303","13.5452","0.0007","13.9827","0.0006","14.4207","0.0011","92.95","0.005","113.741","0.006","93.357","0.004","2487.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H66 N6 O -","- C60 H66 N6 O -","- C120 H132 N12 O2 -","2","1","","Brewster, 2nd, James T; Mangel, Daniel N.; Gaunt, Andrew J.; Saunders, Douglas P.; Zafar, Hadiqa; Lynch, Vincent M.; Boreen, Michael A.; Garner, Mary E.; Goodwin, Conrad A. P.; Settineri, Nicholas S.; Arnold, John; Sessler, Jonathan L.","In-Plane Thorium(IV), Uranium(IV), and Neptunium(IV) Expanded Porphyrin Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09123","","","1.54184","CuKα","","0.0603","0.0536","","","0.1406","0.1479","","","","","","1.047","","","","has coordinates","219572","2020-10-21","18:00:00",""
"4127304","11.3443","0.0008","16.9737","0.0007","17.8448","0.0012","87.59","0.004","81.979","0.005","75.384","0.005","3292.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H89 N6 Np O2 Si2 -","- C72 H89 N6 Np O2 Si2 -","- C144 H178 N12 Np2 O4 Si4 -","2","1","","Brewster, 2nd, James T; Mangel, Daniel N.; Gaunt, Andrew J.; Saunders, Douglas P.; Zafar, Hadiqa; Lynch, Vincent M.; Boreen, Michael A.; Garner, Mary E.; Goodwin, Conrad A. P.; Settineri, Nicholas S.; Arnold, John; Sessler, Jonathan L.","In-Plane Thorium(IV), Uranium(IV), and Neptunium(IV) Expanded Porphyrin Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09123","","","0.71073","MoKα","","0.1517","0.0782","","","0.1416","0.1651","","","","","","0.95","","","","has coordinates,has disorder","219573","2020-10-21","18:00:00",""
"4127305","22.5656","0.0004","28.2946","0.0007","16.5351","0.0002","90","","92.474","0.001","90","","10547.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C112 H112 Cl2 N12 O Th2 -","- C112 H112 Cl2 N12 O Th2 -","- C448 H448 Cl8 N48 O4 Th8 -","4","0.5","","Brewster, 2nd, James T; Mangel, Daniel N.; Gaunt, Andrew J.; Saunders, Douglas P.; Zafar, Hadiqa; Lynch, Vincent M.; Boreen, Michael A.; Garner, Mary E.; Goodwin, Conrad A. P.; Settineri, Nicholas S.; Arnold, John; Sessler, Jonathan L.","In-Plane Thorium(IV), Uranium(IV), and Neptunium(IV) Expanded Porphyrin Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09123","","x-ray","1.54184","CuKα","","0.0618","0.0527","","","0.1476","0.1523","","","","","","1.076","","","","has coordinates","219574","2020-10-21","18:00:00",""
"4127306","11.4762","0.0005","17.0934","0.0006","17.9388","0.0006","95.711","0.003","105.514","0.004","107.181","0.003","3178","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H74 N6 O2 Si2 Th -","- C62 H74 N6 O2 Si2 Th -","- C124 H148 N12 O4 Si4 Th2 -","2","1","","Brewster, 2nd, James T; Mangel, Daniel N.; Gaunt, Andrew J.; Saunders, Douglas P.; Zafar, Hadiqa; Lynch, Vincent M.; Boreen, Michael A.; Garner, Mary E.; Goodwin, Conrad A. P.; Settineri, Nicholas S.; Arnold, John; Sessler, Jonathan L.","In-Plane Thorium(IV), Uranium(IV), and Neptunium(IV) Expanded Porphyrin Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09123","","","1.54184","CuKα","","0.0541","0.0514","","","0.1372","0.1396","","","","","","1.058","","","","has coordinates,has disorder","219575","2020-10-21","18:00:00",""
"4127307","13.264","0.002","13.7607","0.0016","15.981","0.002","84.014","0.005","79.109","0.005","77.062","0.004","2785.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H58 Cl2 N6 O2 U -","- C57 H58 Cl2 N6 O2 U -","- C114 H116 Cl4 N12 O4 U2 -","2","1","","Brewster, 2nd, James T; Mangel, Daniel N.; Gaunt, Andrew J.; Saunders, Douglas P.; Zafar, Hadiqa; Lynch, Vincent M.; Boreen, Michael A.; Garner, Mary E.; Goodwin, Conrad A. P.; Settineri, Nicholas S.; Arnold, John; Sessler, Jonathan L.","In-Plane Thorium(IV), Uranium(IV), and Neptunium(IV) Expanded Porphyrin Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09123","","","0.71073","MoKα","","0.05","0.039","","","0.0836","0.0871","","","","","","1.002","","","","has coordinates","219576","2020-10-21","18:00:00",""
"4127308","13.0847","0.0006","32.8113","0.0016","13.7965","0.0007","90","","106.296","0.0018","90","","5685.2","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H42.5 B I1.5 N5 O2 -","- C23.5 H42.5 B I1.5 N5 O2 -","- C188 H340 B8 I12 N40 O16 -","8","1","","Leong, Bi-Xiang; Lee, Jiawen; Li, Yan; Yang, Ming-Chung; Siu, Chi-Kit; Su, Ming-Der; So, Cheuk-Wai","A Versatile NHC-Parent Silyliumylidene Cation for Catalytic Chemo- and Regioselective Hydroboration.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b06714","","","0.71073","MoKα","","0.0868","0.0451","","","0.0799","0.0967","","","","","","1.022","","","","has coordinates,has disorder","219577","2020-10-21","18:00:00",""
"4127309","10.3622","0.0011","12.0606","0.001","15.3918","0.0014","93.849","0.005","91.457","0.008","110.577","0.01","1794.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H49 Cl2 N3 Ru -","- C39 H49 Cl2 N3 Ru -","- C78 H98 Cl4 N6 Ru2 -","2","1","","Wolf, William J.; Lin, Tzu-Pin; Grubbs, Robert H.","Examining the Effects of Monomer and Catalyst Structure on the Mechanism of Ruthenium-Catalyzed Ring-Opening Metathesis Polymerization","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08835","","","1.54178","CuKα","","0.0469","0.0386","","","0.0893","0.0925","","","","","","1.034","","","","has coordinates","219578","2020-10-21","18:00:00",""
"4127310","8.731","0.003","18.33","0.006","18.881","0.006","62.204","0.007","85.045","0.008","77.442","0.007","2608.7","1.5","100","2","100.16","","","","","","","","","4","P 1","P 1","1","","","","- C64 H52 N6 O13 -","- C64 H52 N6 O13 -","- C128 H104 N12 O26 -","2","2","","Beldjoudi, Yassine; Narayanan, Ashwin; Roy, Indranil; Pearson, Tyler J.; Cetin, M. Mustafa; Nguyen, Minh T.; Krzyaniak, Matthew D.; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stupp, Samuel I.; Stoddart, J. Fraser","Supramolecular Tessellations by a Rigid Naphthalene Diimide Triangle.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08758","","","0.71073","MoKα","","0.2764","0.0997","","","0.1748","0.2365","","","","","","0.973","","","","has coordinates","219579","2020-10-21","18:00:00",""
"4127311","34.5345","0.0011","34.5345","0.0011","8.5499","0.0004","90","","90","","120","","8830.8","0.6","100","2","99.95","","","","","","","","","4","P 62","P 62","171","","","","- C66 H55 N7 O13 -","- C66 H55 N7 O13 -","- C396 H330 N42 O78 -","6","1","","Beldjoudi, Yassine; Narayanan, Ashwin; Roy, Indranil; Pearson, Tyler J.; Cetin, M. Mustafa; Nguyen, Minh T.; Krzyaniak, Matthew D.; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stupp, Samuel I.; Stoddart, J. Fraser","Supramolecular Tessellations by a Rigid Naphthalene Diimide Triangle.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08758","","","1.54178","CuKα","","0.0846","0.0706","","","0.1908","0.2038","","","","","","1.025","","","","has coordinates,has disorder","219580","2020-10-21","18:00:00",""
"4127312","18.1136","0.001","15.648","0.0009","27.3059","0.0015","90","","91.229","0.004","90","","7737.8","0.7","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H52 Cl2 N6 O12 S12 -","- C78.9999 H55.9998 Cl1.9998 N6 O12 S12 -","- C316 H223.999 Cl7.9992 N24 O48 S48 -","4","1","","Beldjoudi, Yassine; Narayanan, Ashwin; Roy, Indranil; Pearson, Tyler J.; Cetin, M. Mustafa; Nguyen, Minh T.; Krzyaniak, Matthew D.; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stupp, Samuel I.; Stoddart, J. Fraser","Supramolecular Tessellations by a Rigid Naphthalene Diimide Triangle.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08758","","","1.54178","CuKα","","0.2057","0.1947","","","0.372","0.378","","","","","","1.044","","","","has coordinates,has disorder","219581","2020-10-21","18:00:00",""
"4127313","15.9512","0.0011","15.0324","0.0011","25.0891","0.0017","90","","90.488","0.002","90","","6015.8","0.7","100","2","100.02","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C70 H59 N10 O12.5 -","- C70 H58.9999 N10 O12.5 -","- C280 H235.999 N40 O50 -","4","2","","Beldjoudi, Yassine; Narayanan, Ashwin; Roy, Indranil; Pearson, Tyler J.; Cetin, M. Mustafa; Nguyen, Minh T.; Krzyaniak, Matthew D.; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stupp, Samuel I.; Stoddart, J. Fraser","Supramolecular Tessellations by a Rigid Naphthalene Diimide Triangle.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08758","","","0.71073","MoKα","","0.0732","0.0574","","","0.1387","0.148","","","","","","1.029","","","","has coordinates,has disorder","219582","2020-10-21","18:00:00",""
"4127314","26.2442","0.001","26.2442","0.001","26.2442","0.001","90","","90","","90","","18075.9","1.2","100","2","99.99","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C62 H44.71 Cl5.11 N6 O12 -","- C62 H44.72 Cl5.10833 N6 O12 -","- C744 H536.64 Cl61.3 N72 O144 -","12","1","","Beldjoudi, Yassine; Narayanan, Ashwin; Roy, Indranil; Pearson, Tyler J.; Cetin, M. Mustafa; Nguyen, Minh T.; Krzyaniak, Matthew D.; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stupp, Samuel I.; Stoddart, J. Fraser","Supramolecular Tessellations by a Rigid Naphthalene Diimide Triangle.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08758","","","1.54178","CuKα","","0.0697","0.0618","","","0.1651","0.171","","","","","","1.028","","","","has coordinates,has disorder","219583","2020-10-21","18:00:00",""
"4127315","15.8923","0.001","15.9624","0.001","16.7921","0.0011","69.423","0.004","69.34","0.004","70.959","0.004","3630.8","0.4","103","2","103.26","","","","","","","","","5","P -1","-P 1","2","","","","- C75 H53 N6 O12 S10 -","- C75 H53 N6 O12 S10 -","- C150 H106 N12 O24 S20 -","2","1","","Beldjoudi, Yassine; Narayanan, Ashwin; Roy, Indranil; Pearson, Tyler J.; Cetin, M. Mustafa; Nguyen, Minh T.; Krzyaniak, Matthew D.; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stupp, Samuel I.; Stoddart, J. Fraser","Supramolecular Tessellations by a Rigid Naphthalene Diimide Triangle.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08758","","","1.54178","CuKα","","0.2059","0.1995","","","0.4607","0.4653","","","","","","1.017","","","","has coordinates,has disorder","219584","2020-10-21","18:00:00",""
"4127316","11.9427","0.0006","12.7996","0.0006","12.8505","0.0006","101.242","0.004","92.464","0.004","110","0.004","1797.6","0.16","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","Pery-RPIC","","- C49 H40 N2 O -","- C49 H40 N2 O -","- C98 H80 N4 O2 -","2","1","","Tokunaga, Ayako; Uriarte, Lucas Martinez; Mutoh, Katsuya; Fron, Eduard; Hofkens, Johan; Sliwa, Michel; Abe, Jiro","Photochromic Reaction by Red Light via Triplet Fusion Upconversion.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08219","","x-ray","0.71073","MoKα","","0.0803","0.0538","","","0.1372","0.1515","","","","","","0.971","","","","has coordinates","219585","2020-10-21","18:00:00",""
"4127317","7.7077","0.0011","19.398","0.003","12.6503","0.0019","90","","106.879","0.0018","90","","1809.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Br N2 Ni -","- C20 H24 Br N2 Ni -","- C80 H96 Br4 N8 Ni4 -","4","1","","Lin, Qiao; Diao, Tianning","Mechanism of Ni-Catalyzed Reductive 1,2-Dicarbofunctionalization of Alkenes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10026","","","0.71073","MoKα","","0.062","0.0465","","","0.0969","0.1032","","","","","","1.065","","","","has coordinates","220326","2020-10-21","18:00:00",""
"4127318","13.7356","0.0003","21.0255","0.0006","14.9229","0.0004","90","","98.498","0.003","90","","4262.39","0.19","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H18 B Cu F23 N5 O -","- C44 H18 B Cu F22.997 N5 O -","- C176 H72 B4 Cu4 F91.988 N20 O4 -","4","1","","Wijeratne, Gayan B.; Bhadra, Mayukh; Siegler, Maxime A.; Karlin, Kenneth D.","Copper(I) Complex Mediated Nitric Oxide Reductive Coupling: Ligand Hydrogen Bonding Derived Proton Transfer Promotes N<sub>2</sub>O<sub>(g)</sub> Release.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07286","","","0.71073","MoKα","","0.053","0.0455","","","0.0978","0.1008","","","","","","1.182","","","","has coordinates,has disorder","220546","2020-10-21","18:00:00",""
"4127319","12.9025","0.0003","14.0738","0.0003","14.2648","0.0004","112.444","0.002","100.148","0.002","97.126","0.002","2303.95","0.11","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H27 B Cu F20 N6 O3 -","- C47 H27 B Cu F20 N6 O3 -","- C94 H54 B2 Cu2 F40 N12 O6 -","2","1","","Wijeratne, Gayan B.; Bhadra, Mayukh; Siegler, Maxime A.; Karlin, Kenneth D.","Copper(I) Complex Mediated Nitric Oxide Reductive Coupling: Ligand Hydrogen Bonding Derived Proton Transfer Promotes N<sub>2</sub>O<sub>(g)</sub> Release.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07286","","","0.71073","MoKα","","0.0422","0.0342","","","0.0777","0.0818","","","","","","1.017","","","","has coordinates","220547","2020-10-21","18:00:00",""
"4127320","11.7695","0.0003","11.9142","0.0003","15.9223","0.0003","77.7948","0.0018","87.2621","0.0017","86.989","0.0019","2177.67","0.09","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H26 B Cu F20 N5 O -","- C47 H26 B Cu F20 N5 O -","- C94 H52 B2 Cu2 F40 N10 O2 -","2","1","","Wijeratne, Gayan B.; Bhadra, Mayukh; Siegler, Maxime A.; Karlin, Kenneth D.","Copper(I) Complex Mediated Nitric Oxide Reductive Coupling: Ligand Hydrogen Bonding Derived Proton Transfer Promotes N<sub>2</sub>O<sub>(g)</sub> Release.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07286","","","1.54178","CuKα","","0.0404","0.034","","","0.0862","0.091","","","","","","1.024","","","","has coordinates","220548","2020-10-21","18:00:00",""
"4127321","26.2333","0.001","10.4524","0.0004","17.5317","0.0007","90","","101.095","0.002","90","","4717.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 Br N6 O2 -","- C24 Br N6 O2 -","- C192 Br8 N48 O16 -","8","1","","Li, Yang; Liang, Yujie; Dong, Junchao; Deng, Yi; Zhao, Chunyang; Su, Zhongmin; Guan, Wei; Bi, Xihe; Liu, Qun; Fu, Junkai","Directed Copper-Catalyzed Intermolecular Aminative Difunctionalization of Unactivated Alkenes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07607","","","1.54178","CuKα","","0.0927","0.0799","","","0.2444","0.2574","","","","","","1.065","","","","has coordinates","220549","2020-10-21","18:00:00",""
"4127322","16.375","0.002","16.9785","0.0019","8.8933","0.001","90","","103.776","0.007","90","","2401.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 Br N3 O2 -","- C26 Br N3 O2 -","- C104 Br4 N12 O8 -","4","1","","Li, Yang; Liang, Yujie; Dong, Junchao; Deng, Yi; Zhao, Chunyang; Su, Zhongmin; Guan, Wei; Bi, Xihe; Liu, Qun; Fu, Junkai","Directed Copper-Catalyzed Intermolecular Aminative Difunctionalization of Unactivated Alkenes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07607","","","1.54178","CuKα","","0.0894","0.0656","","","0.1786","0.1985","","","","","","1.0571","","","","has coordinates","220550","2020-10-21","18:00:00",""
"4127323","14.2048","0.001","16.4078","0.001","25.0897","0.0016","96.289","0.004","94.009","0.004","98.065","0.004","5733.3","0.7","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C112 H107 F24 N15 P4 -","- C112 H107 F24 N15 P4 -","- C224 H214 F48 N30 P8 -","2","1","","Dumartin, Melissa; Lipke, Mark C.; Stoddart, J. Fraser","A Redox-Switchable Molecular Zipper.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09756","","","1.54178","CuKα","","0.0839","0.0718","","","0.1845","0.1943","","","","","","1.035","","","","has coordinates,has disorder","220551","2020-10-21","18:00:00",""
"4127324","7.4334","0.0005","8.6838","0.0006","30.722","0.002","90","","90","","90","","1983.1","0.2","100","2","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Au B Cl2 F4 N2 O -","- C14 H19 Au B Cl2 F4 N3 O -","- C56 H76 Au4 B4 Cl8 F16 N12 O4 -","4","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Pápai, Imre; Fiksdahl, Anne; Erdélyi, Máté","Mechanism of Au(III)-Mediated Alkoxycyclization of a 1,6-Enyne.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09108","","","0.71073","MoKα","","0.0402","0.0342","","","0.0706","0.0733","","","","","","1.104","","","","has coordinates","220552","2020-10-21","18:00:00",""
"4127325","7.6982","0.0007","9.3376","0.0008","15.6254","0.0014","90","","102.663","0.002","90","","1095.88","0.17","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C12 H15 Au B Br2 F4 N2 O3 -","- C12 H15 Au B Br2 F4 N2 O3 -","- C24 H30 Au2 B2 Br4 F8 N4 O6 -","2","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Pápai, Imre; Fiksdahl, Anne; Erdélyi, Máté","Mechanism of Au(III)-Mediated Alkoxycyclization of a 1,6-Enyne.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09108","","x-ray","0.71073","MoKα","","0.0564","0.0448","","","0.1135","0.1198","","","","","","1.05","","","","has coordinates","220553","2020-10-21","18:00:00",""
"4127326","8.7138","0.0008","9.4502","0.0009","10.8207","0.001","90","","111.987","0.002","90","","826.25","0.13","100","2","100.04","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H16 Au Br2 N3 O4 -","- C12 H16 Au Br2 N3 O4 -","- C24 H32 Au2 Br4 N6 O8 -","2","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Pápai, Imre; Fiksdahl, Anne; Erdélyi, Máté","Mechanism of Au(III)-Mediated Alkoxycyclization of a 1,6-Enyne.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09108","","x-ray","0.71073","MoKα","","0.0304","0.0246","","","0.045","0.0465","","","","","","0.886","","","","has coordinates","220554","2020-10-21","18:00:00",""
"4127327","8.6725","0.0016","9.1766","0.0016","10.855","0.0018","90","","112.84","0.004","90","","796.1","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H16 Au Cl2 N3 O4 -","- C12 H16 Au Cl2 N3 O4 -","- C24 H32 Au2 Cl4 N6 O8 -","2","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Pápai, Imre; Fiksdahl, Anne; Erdélyi, Máté","Mechanism of Au(III)-Mediated Alkoxycyclization of a 1,6-Enyne.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09108","","","0.71073","MoKα","","0.0293","0.0274","","","0.0654","0.0661","","","","","","1.051","","","","has coordinates","220555","2020-10-21","18:00:00",""
"4127328","7.585","0.003","8.843","0.003","28.858","0.011","90","","90","","90","","1935.6","1.2","101","2","101.11","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Au Br2 F3 N2 O3 -","- C14 H16 Au Br2 F3 N2 O3 -","- C56 H64 Au4 Br8 F12 N8 O12 -","4","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Pápai, Imre; Fiksdahl, Anne; Erdélyi, Máté","Mechanism of Au(III)-Mediated Alkoxycyclization of a 1,6-Enyne.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09108","","","0.71073","MoKα","","0.03","0.025","","","0.0502","0.0513","","","","","","1.041","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4127329","7.4001","0.0008","7.4001","0.0008","13.0435","0.0007","90","","90","","120","","618.59","0.1","473","2","473","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C6 Co Dy N6 -","- C6 Co Dy N6 -","- C12 Co2 Dy2 N12 -","2","0.0833333","","Xin, Yue; Wang, Junhao; Zychowicz, Mikolaj; Zakrzewski, Jakub J.; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Dehydration-Hydration Switching of Single-Molecule Magnet Behavior and Visible Photoluminescence in a Cyanido-Bridged Dy<sup>III</sup>Co<sup>III</sup> Framework.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09103","","x-ray","0.71075","MoKα","","0.0628","0.0605","","","0.0712","0.0716","","","","","","1.699","","","","has coordinates","220596","2020-10-21","18:00:00",""
"4127330","7.3044","0.0008","12.6494","0.0013","13.368","0.0013","90","","90","","90","","1235.2","0.2","300","2","300","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 Co Dy N6 O4 -","- C6 Co Dy N6 O4 -","- C24 Co4 Dy4 N24 O16 -","4","0.25","","Xin, Yue; Wang, Junhao; Zychowicz, Mikolaj; Zakrzewski, Jakub J.; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Dehydration-Hydration Switching of Single-Molecule Magnet Behavior and Visible Photoluminescence in a Cyanido-Bridged Dy<sup>III</sup>Co<sup>III</sup> Framework.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09103","","x-ray","0.71075","MoKα","","0.1688","0.1636","","","0.3041","0.3061","","","","","","1.455","","","","has coordinates","220597","2020-10-21","18:00:00",""
"4127331","7.3151","0.0005","12.6818","0.001","13.5464","0.0009","90","","90","","90","","1256.68","0.16","300","2","300","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H8 Co Dy N6 O4 -","- C6 H8 Co Dy N6 O4 -","- C24 H32 Co4 Dy4 N24 O16 -","4","0.25","","Xin, Yue; Wang, Junhao; Zychowicz, Mikolaj; Zakrzewski, Jakub J.; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Dehydration-Hydration Switching of Single-Molecule Magnet Behavior and Visible Photoluminescence in a Cyanido-Bridged Dy<sup>III</sup>Co<sup>III</sup> Framework.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09103","","x-ray","0.71075","MoKα","","0.0441","0.0398","","","0.0647","0.0655","","","","","","1.292","","","","has coordinates","220598","2020-10-21","18:00:00",""
"4127332","9.875","0.002","12.094","0.002","12.985","0.003","88.66","0.03","89.03","0.03","78.79","0.03","1520.7","0.6","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H36 N8 O2 -","- C33 H36 N8 O2 -","- C66 H72 N16 O4 -","2","1","","Zhang, Qian; Wang, Ting; Zhang, Xinhao; Tong, Shuo; Wu, Yun-Dong; Wang, Mei-Xiang","Radical Reactivity, Catalysis and Reaction Mechanism of Arylcopper(II) Compounds: The Missing Link in Organocopper Chemistry.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10226","","","0.71073","MoKα","","0.0836","0.0759","","","0.1684","0.1739","","","","","","1.144","","","","has coordinates,has disorder","220599","2020-10-21","18:00:00",""
"4127333","8.9866","0.0008","10.5513","0.0012","16.649","0.002","82.623","0.006","75.554","0.006","75.609","0.006","1477.1","0.3","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H35 N9 O -","- C32 H35 N9 O -","- C64 H70 N18 O2 -","2","1","","Zhang, Qian; Wang, Ting; Zhang, Xinhao; Tong, Shuo; Wu, Yun-Dong; Wang, Mei-Xiang","Radical Reactivity, Catalysis and Reaction Mechanism of Arylcopper(II) Compounds: The Missing Link in Organocopper Chemistry.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10226","","","0.71073","MoKα","","0.0699","0.064","","","0.1513","0.1556","","","","","","1.103","","","","has coordinates","220600","2020-10-21","18:00:00",""
"4127334","9.05225","0.00014","19.7715","0.0003","18.5487","0.0003","90","","98.6918","0.0015","90","","3281.66","0.09","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 N8 O2 -","- C36 H42 N8 O2 -","- C144 H168 N32 O8 -","4","1","","Zhang, Qian; Wang, Ting; Zhang, Xinhao; Tong, Shuo; Wu, Yun-Dong; Wang, Mei-Xiang","Radical Reactivity, Catalysis and Reaction Mechanism of Arylcopper(II) Compounds: The Missing Link in Organocopper Chemistry.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10226","","x-ray","1.54184","CuKα","","0.0634","0.0485","","","0.1303","0.1354","","","","","","1.208","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4127335","9.994","0.003","12","0.003","13.119","0.004","87.306","0.007","88.844","0.008","80.607","0.009","1550.4","0.8","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H36 N8 O -","- C33 H36 N8 O -","- C66 H72 N16 O2 -","2","1","","Zhang, Qian; Wang, Ting; Zhang, Xinhao; Tong, Shuo; Wu, Yun-Dong; Wang, Mei-Xiang","Radical Reactivity, Catalysis and Reaction Mechanism of Arylcopper(II) Compounds: The Missing Link in Organocopper Chemistry.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10226","","","0.71073","MoKα","","0.1263","0.1099","","","0.2991","0.3097","","","","","","2.013","","","","has coordinates,has disorder","220602","2020-10-21","18:00:00",""
"4127336","22.8735","0.0003","13.41873","0.00018","24.0089","0.0003","90","","90","","90","","7369.13","0.17","173","0.1","173","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H43 Cl3 N8 O2 -","- C37 H43 Cl3 N8 O2 -","- C296 H344 Cl24 N64 O16 -","8","1","","Zhang, Qian; Wang, Ting; Zhang, Xinhao; Tong, Shuo; Wu, Yun-Dong; Wang, Mei-Xiang","Radical Reactivity, Catalysis and Reaction Mechanism of Arylcopper(II) Compounds: The Missing Link in Organocopper Chemistry.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10226","","x-ray","1.54184","CuKα","","0.0769","0.0674","","","0.1872","0.1975","","","","","","1.043","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4127337","9.67","0.002","17.076","0.004","17.71","0.004","90","","98.25","0.003","90","","2894.1","1.1","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 N9 -","- C32 H33 N9 -","- C128 H132 N36 -","4","1","","Zhang, Qian; Wang, Ting; Zhang, Xinhao; Tong, Shuo; Wu, Yun-Dong; Wang, Mei-Xiang","Radical Reactivity, Catalysis and Reaction Mechanism of Arylcopper(II) Compounds: The Missing Link in Organocopper Chemistry.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10226","","","0.71073","MoKα","","0.11","0.0931","","","0.1916","0.202","","","","","","1.152","","","","has coordinates,has disorder","220604","2020-10-21","18:00:00",""
"4127338","13.2016","0.0002","13.2016","0.0002","20.4473","0.0006","90","","90","","120","","3086.17","0.11","293","2","293","2","","","","","","","","3","P 65","P 65","170","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C120 H144 O30 -","6","1","","Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao","Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.","Journal of the American Chemical Society","2019","141","20","8372","8380","10.1021/jacs.9b03978","","x-ray","1.54184","CuKα","","0.0419","0.0374","","","0.101","0.105","","","","","","1.053","","","","has coordinates","220623","2020-10-21","18:00:00",""
"4127339","13.1614","0.0014","13.9623","0.0018","32.099","0.005","90","","96.405","0.012","90","","5861.8","1.3","179.97","0.13","179.97","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H48 O4 Si2 -","- C25 H48 O4 Si2 -","- C200 H384 O32 Si16 -","8","2","","Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao","Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.","Journal of the American Chemical Society","2019","141","20","8372","8380","10.1021/jacs.9b03978","","x-ray","0.71073","MoKα","","0.1571","0.1193","","","0.2466","0.2644","","","","","","1.027","","","","has coordinates","220624","2020-10-21","18:00:00",""
"4127340","6.0694","0.0001","12.5162","0.0003","19.1277","0.0004","73.301","0.002","83.663","0.002","87.804","0.002","1383.24","0.05","179.98","0.1","179.98","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","2","","Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao","Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.","Journal of the American Chemical Society","2019","141","20","8372","8380","10.1021/jacs.9b03978","","","0.71073","MoKα","","0.0608","0.0444","","","0.1148","0.1229","","","","","","1.061","","","","has coordinates","220625","2020-10-21","18:00:00",""
"4127341","7.4362","0.0002","42.8598","0.0011","10.2836","0.0003","90","","91.457","0.002","90","","3276.47","0.15","180.1","0.3","180.1","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H54 O5 Si2 -","- C30 H54 O5 Si2 -","- C120 H216 O20 Si8 -","4","1","","Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao","Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.","Journal of the American Chemical Society","2019","141","20","8372","8380","10.1021/jacs.9b03978","","x-ray","0.71073","MoKα","","0.0717","0.0603","","","0.1327","0.1374","","","","","","1.035","","","","has coordinates","220626","2020-10-21","18:00:00",""
"4127342","21.1666","0.001","7.7501","0.0003","12.954","0.0005","90","","108.914","0.004","90","","2010.28","0.15","180","0.1","180","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C80 H112 O32 -","8","1","","Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao","Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.","Journal of the American Chemical Society","2019","141","20","8372","8380","10.1021/jacs.9b03978","","x-ray","0.71073","MoKα","","0.0354","0.0337","","","0.0941","0.0958","","","","","","1.032","","","","has coordinates","220627","2020-10-21","18:00:00",""
"4127343","14.9673","0.0004","10.4532","0.0003","20.7264","0.0007","90","","93.571","0.003","90","","3236.48","0.17","180","0.2","180","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C144 H176 O40 -","8","2","","Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao","Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.","Journal of the American Chemical Society","2019","141","20","8372","8380","10.1021/jacs.9b03978","","x-ray","0.71073","MoKα","","0.0786","0.0578","","","0.1475","0.1607","","","","","","1.029","","","","has coordinates,has disorder","220628","2020-10-21","18:00:00",""
"4127344","6.5809","0.0003","19.9485","0.0012","10.8622","0.0005","90","","103.053","0.005","90","","1389.13","0.13","180.1","0.4","180.1","0.4","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao","Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.","Journal of the American Chemical Society","2019","141","20","8372","8380","10.1021/jacs.9b03978","","x-ray","0.71073","MoKα","","0.0681","0.0508","","","0.1276","0.135","","","","","","1.042","","","","has coordinates","220629","2020-10-21","18:00:00",""
"4127345","28.23","0.0003","28.23","0.0003","28.23","0.0003","90","","90","","90","","22497.4","0.4","250","","250","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C10.62 H7 Hf0.75 O5 V0.1 -","- C10.625 H7 Hf0.75 O5 V0.1 -","- C255 H168 Hf18 O120 V2.4 -","24","0.5","","Wang, Xingjie; Zhang, Xuan; Li, Peng; Otake, Ken-Ichi; Cui, Yuexing; Lyu, Jiafei; Krzyaniak, Matthew D.; Zhang, Yuanyuan; Li, Zhanyong; Liu, Jian; Buru, Cassandra T.; Islamoglu, Timur; Wasielewski, Michael R.; Li, Zhong; Farha, Omar K.","Vanadium Catalyst on Isostructural Transition Metal, Lanthanide, and Actinide Based Metal-Organic Frameworks for Alcohol Oxidation.","Journal of the American Chemical Society","2019","141","20","8306","8314","10.1021/jacs.9b02603","","x-ray","1.54178","CuKα","","0.215","0.1894","","","0.6168","0.6381","","","","","","3.04","","","","has coordinates,has disorder","220630","2020-10-21","18:00:00",""
"4127346","28.0224","0.0008","28.0224","0.0008","28.0224","0.0008","90","","90","","90","","22004.7","1.1","100","","100","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C40 H28 Hf3 O16 -","- C40 H28 Hf3 O16 -","- C240 H168 Hf18 O96 -","6","0.125","","Wang, Xingjie; Zhang, Xuan; Li, Peng; Otake, Ken-Ichi; Cui, Yuexing; Lyu, Jiafei; Krzyaniak, Matthew D.; Zhang, Yuanyuan; Li, Zhanyong; Liu, Jian; Buru, Cassandra T.; Islamoglu, Timur; Wasielewski, Michael R.; Li, Zhong; Farha, Omar K.","Vanadium Catalyst on Isostructural Transition Metal, Lanthanide, and Actinide Based Metal-Organic Frameworks for Alcohol Oxidation.","Journal of the American Chemical Society","2019","141","20","8306","8314","10.1021/jacs.9b02603","","x-ray","0.71073","MoKα","","0.0967","0.0605","","","0.1393","0.1739","","","","","","1.066","","","","has coordinates,has disorder","220631","2020-10-21","18:00:00",""
"4127347","28.2644","0.0004","28.2644","0.0004","28.2644","0.0004","90","","90","","90","","22579.8","0.6","200","","200","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C10.62 H7 O5.2 V0.1 Zr0.75 -","- C10.625 H7 O5.2 V0.1 Zr0.75 -","- C255 H168 O124.8 V2.4 Zr18 -","24","0.5","","Wang, Xingjie; Zhang, Xuan; Li, Peng; Otake, Ken-Ichi; Cui, Yuexing; Lyu, Jiafei; Krzyaniak, Matthew D.; Zhang, Yuanyuan; Li, Zhanyong; Liu, Jian; Buru, Cassandra T.; Islamoglu, Timur; Wasielewski, Michael R.; Li, Zhong; Farha, Omar K.","Vanadium Catalyst on Isostructural Transition Metal, Lanthanide, and Actinide Based Metal-Organic Frameworks for Alcohol Oxidation.","Journal of the American Chemical Society","2019","141","20","8306","8314","10.1021/jacs.9b02603","","","1.54178","CuKα","","0.1608","0.1458","","","0.5059","0.559","","","","","","2.692","","","","has coordinates,has disorder","220632","2020-10-21","18:00:00",""
"4127348","17.0704","0.0003","17.0704","0.0003","32.8329","0.0006","90","","90","","90","","9567.5","0.3","100","2","100","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C144 H188 N76 Ni14 O12 -","- C144 H188 N76 Ni14 O12 -","- C288 H376 N152 Ni28 O24 -","2","0.25","","Zhang, Xiang; Dong, Xia; Lu, Weigang; Luo, Dong; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan","Fine-Tuning Apertures of Metal-Organic Cages: Encapsulation of Carbon Dioxide in Solution and Solid State.","Journal of the American Chemical Society","2019","141","29","11621","11627","10.1021/jacs.9b04520","","","1.54178","CuKα","","0.055","0.0458","","","0.1206","0.1274","","","","","","1.05","","","","has coordinates","220633","2020-10-21","18:00:00",""
"4127349","25.8521","0.0006","25.8521","0.0006","16.8589","0.0006","90","","90","","90","","11267.3","0.5","293","2","293","2","","","","","","","","5","P 4 2 2","P 4 2","89","","","","- C144 H192 N76 Ni14 O12 -","- C144 H192 N76 Ni14 O12 -","- C288 H384 N152 Ni28 O24 -","2","0.25","","Zhang, Xiang; Dong, Xia; Lu, Weigang; Luo, Dong; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan","Fine-Tuning Apertures of Metal-Organic Cages: Encapsulation of Carbon Dioxide in Solution and Solid State.","Journal of the American Chemical Society","2019","141","29","11621","11627","10.1021/jacs.9b04520","","","1.54178","CuKα","","0.0863","0.0516","","","0.1147","0.1336","","","","","","0.937","","","","has coordinates","220633","2020-10-21","18:00:00",""
"4127350","17.00574","0.00007","17.00574","0.00007","33.0599","0.0002","90","","90","","90","","9560.76","0.08","100","2","100","2","","","","","","","","6","P 4 n c","P 4 -2n","104","","","","- C144 H192 Cu6 N76 Ni8 O12 -","- C144 H192 Cu6 N76 Ni8 O12 -","- C288 H384 Cu12 N152 Ni16 O24 -","2","0.25","","Zhang, Xiang; Dong, Xia; Lu, Weigang; Luo, Dong; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan","Fine-Tuning Apertures of Metal-Organic Cages: Encapsulation of Carbon Dioxide in Solution and Solid State.","Journal of the American Chemical Society","2019","141","29","11621","11627","10.1021/jacs.9b04520","","","1.54184","CuKα","","0.0662","0.0638","","","0.1831","0.1867","","","","","","1.06","","","","has coordinates","220633","2020-10-21","18:00:00",""
"4127351","13.2775","0.0005","12.4308","0.0004","15.8978","0.0007","90","","98.606","0.004","90","","2594.39","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 N11 Ni O6 -","- C18 H27 N11 Ni O6 -","- C72 H108 N44 Ni4 O24 -","4","1","","Zhang, Xiang; Dong, Xia; Lu, Weigang; Luo, Dong; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan","Fine-Tuning Apertures of Metal-Organic Cages: Encapsulation of Carbon Dioxide in Solution and Solid State.","Journal of the American Chemical Society","2019","141","29","11621","11627","10.1021/jacs.9b04520","","","1.54178","CuKα","","0.0696","0.0575","","","0.1737","0.1856","","","","","","1.028","","","","has coordinates","220633","2020-10-21","18:00:00",""
"4127352","12.84","0.003","45.11","0.009","20.49","0.004","90","","96.9","0.03","90","","11782","4","133","2","133.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24.25 H38.75 K0.75 Mn0.75 N3.75 O3.25 P1.5 -","- C24.25 H38.75 K0.75 Mn0.75 N3.75 O3.25 P1.5 -","- C388 H620 K12 Mn12 N60 O52 P24 -","16","4","","Freitag, Frederik; Irrgang, Torsten; Kempe, Rhett","Mechanistic Studies of Hydride Transfer to Imines from a Highly Active and Chemoselective Manganate Catalyst.","Journal of the American Chemical Society","2019","141","29","11677","11685","10.1021/jacs.9b05024","","","0.71073","MoKα","","0.1474","0.0983","","","0.2702","0.328","","","","","","1.06","","","","has coordinates,has disorder","220634","2020-10-21","18:00:00",""
"4127353","24.5951","0.0005","25.8919","0.0004","33.0285","0.0004","82.294","0.001","80.788","0.001","67.08","0.001","19063","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C295 H187.5 Ag12 Cl2 F60 N72.5 O48 S20 -","- C278.4 H187.5 Ag12 Cl2 F10.2 N64.2 O14.8 S3.4 -","- C556.8 H375 Ag24 Cl4 F20.4 N128.4 O29.6 S6.8 -","2","1","","Carpenter, John P.; McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Anion Pairs Template a Trigonal Prism with Disilver Vertices.","Journal of the American Chemical Society","2019","141","29","11409","11413","10.1021/jacs.9b05432","","","0.6889","Synchrotron","","0.1255","0.0919","","","0.2812","0.3151","","","","","","1.01","","","","has coordinates,has disorder","220635","2020-10-21","18:00:00",""
"4127354","23.3103","0.0003","27.5339","0.0003","34.0879","0.0004","87.797","0.001","79.35","0.001","70.874","0.001","20308.9","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C275.5 H186.75 Ag12 F69 N62.25 O3 P11 S -","- C275.5 H186.75 Ag12 F53.8998 N62.25 O3 P8.4833 S -","- C551 H373.5 Ag24 F107.8 N124.5 O6 P16.9666 S2 -","2","1","","Carpenter, John P.; McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Anion Pairs Template a Trigonal Prism with Disilver Vertices.","Journal of the American Chemical Society","2019","141","29","11409","11413","10.1021/jacs.9b05432","","","0.6889","Synchrotron","","0.1185","0.0845","","","0.27","0.2943","","","","","","1.03","","","","has coordinates,has disorder","220636","2020-10-21","18:00:00",""
"4127355","43.3421","0.0004","32.8367","0.0002","27.6735","0.0002","90","","93.269","0.001","90","","39321.2","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C325 H242 Ag12 F60 N83 O49.5 S22 -","- C320.6 H225.702 Ag12 F46.8 N80.8 O40.708 S17.6 -","- C1282.4 H902.808 Ag48 F187.2 N323.2 O162.832 S70.4 -","4","0.5","","Carpenter, John P.; McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Anion Pairs Template a Trigonal Prism with Disilver Vertices.","Journal of the American Chemical Society","2019","141","29","11409","11413","10.1021/jacs.9b05432","","","0.6889","Synchrotron","","0.1192","0.0888","","","0.2773","0.3047","","","","","","1.117","","","","has coordinates,has disorder","220637","2020-10-21","18:00:00",""
"4127356","42.8029","0.0007","32.731","0.0004","27.8538","0.0005","90","","93.412","0.001","90","","38953.5","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C314 H216 Ag12 F60 N82 O48 S22 -","- C308.2 H216 Ag12 F42.6 N79.1 O36.4 S16.2 -","- C1232.8 H864 Ag48 F170.4 N316.4 O145.6 S64.8 -","4","0.5","","Carpenter, John P.; McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Anion Pairs Template a Trigonal Prism with Disilver Vertices.","Journal of the American Chemical Society","2019","141","29","11409","11413","10.1021/jacs.9b05432","","","0.6889","Synchrotron","","0.1175","0.0872","","","0.2573","0.2907","","","","","","1.044","","","","has coordinates,has disorder","220638","2020-10-21","18:00:00",""
"4127357","43.6194","0.0003","32.4028","0.0003","27.3509","0.0002","90","","92.564","0.001","90","","38618.8","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C337 H260 Ag12 F60 N88 O48 S22 -","- C337.004 H230.5 Ag12 F60.012 N88.002 O48.008 S22.004 -","- C1348.02 H922 Ag48 F240.048 N352.008 O192.032 S88.016 -","4","0.5","","Carpenter, John P.; McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Anion Pairs Template a Trigonal Prism with Disilver Vertices.","Journal of the American Chemical Society","2019","141","29","11409","11413","10.1021/jacs.9b05432","","","0.6889","Synchrotron","","0.1007","0.0666","","","0.198","0.2239","","","","","","1.014","","","","has coordinates,has disorder","220639","2020-10-21","18:00:00",""
"4127358","10.45","0.0005","4.7965","0.0002","17.7602","0.0008","90","","90","","90","","890.2","0.07","295","","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cesium lead triiodoplumbate","","- Cs I3 Pb -","- Cs I3 Pb -","- Cs4 I12 Pb4 -","4","0.5","","Straus, Daniel B.; Guo, Shu; Cava, Robert J.","Kinetically Stable Single Crystals of Perovskite-Phase CsPbI<sub>3</sub>.","Journal of the American Chemical Society","2019","141","29","11435","11439","10.1021/jacs.9b06055","","","0.71073","MoKα","","0.029","0.0202","","","0.0313","0.033","","","","","","1.107","","","","has coordinates","220640","2020-10-21","18:00:00",""
"4127359","8.8637","0.0008","12.4838","0.0012","8.5783","0.0008","90","","90","","90","","949.21","0.15","295","2","295.03","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cs I3 Pb -","- Cs I3 Pb -","- Cs4 I12 Pb4 -","4","0.5","","Straus, Daniel B.; Guo, Shu; Cava, Robert J.","Kinetically Stable Single Crystals of Perovskite-Phase CsPbI<sub>3</sub>.","Journal of the American Chemical Society","2019","141","29","11435","11439","10.1021/jacs.9b06055","","","0.71073","MoKα","","0.0645","0.0349","","","0.0599","0.0679","","","","","","1.047","","","","has coordinates","220641","2020-10-21","18:00:00",""
"4127360","23.8076","0.0011","23.8076","0.0011","19.7236","0.001","90","","90","","90","","11179.4","0.9","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C80 H60 O38 Th6 -","- C80 H60 O38 Th6 -","- C160 H120 O76 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0408","0.0318","","","0.0836","0.0893","","","","","","1.043","","","","has coordinates","220642","2020-10-21","18:00:00",""
"4127361","23.8372","0.0009","23.8372","0.0009","19.7212","0.0008","90","","90","","90","","11205.8","0.8","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C80 H60 O38 Th6 -","- C80 H60 O38 Th6 -","- C160 H120 O76 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0578","0.0463","","","0.1295","0.1424","","","","","","1.072","","","","has coordinates","220643","2020-10-21","18:00:00",""
"4127362","23.8841","0.0016","23.8841","0.0016","19.6378","0.0014","90","","90","","90","","11202.4","1.3","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C102 H76 O38 Th6 -","- C102 H76 O38 Th6 -","- C204 H152 O76 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0341","0.029","","","0.0764","0.0803","","","","","","1.058","","","","has coordinates","220644","2020-10-21","18:00:00",""
"4127363","25.5223","0.0017","25.5223","0.0017","14.6275","0.0011","90","","90","","90","","9528.2","1.1","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O34 Th6 -","- C64 H48 O34 Th6 -","- C128 H96 O68 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.1223","0.0895","","","0.2378","0.2657","","","","","","1.049","","","","has coordinates","220645","2020-10-21","18:00:00",""
"4127364","25.114","0.003","25.114","0.003","15.2262","0.0016","90","","90","","90","","9603.4","1.9","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O34 U6 -","- C64 H48 O34 U6 -","- C128 H96 O68 U12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.1441","0.103","","","0.2896","0.3499","","","","","","1.304","","","","has coordinates","220646","2020-10-21","18:00:00",""
"4127365","24.0205","0.0008","24.0205","0.0008","19.7574","0.0006","90","","90","","90","","11399.7","0.6","301","2","301","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C80 H60 O37 Th6 -","- C80 H60 O37 Th6 -","- C160 H120 O74 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0527","0.0316","","","0.0802","0.086","","","","","","1.082","","","","has coordinates,has disorder","220647","2020-10-21","18:00:00",""
"4127366","27.8788","0.001","27.8788","0.001","27.8788","0.001","90","","90","","90","","21668.2","1.3","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C102 H90 N6 O38 Th6 -","- C102 H90 N6 O38 Th6 -","- C408 H360 N24 O152 Th24 -","4","0.0208333","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0272","0.0226","","","0.0586","0.0615","","","","","","1.166","","","","has coordinates","220648","2020-10-21","18:00:00",""
"4127367","25.142","0.0015","25.142","0.0015","15.1163","0.0009","90","","90","","90","","9555.3","1","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O34 U6 -","- C64 H48 O34 U6 -","- C128 H96 O68 U12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0787","0.0559","","","0.1479","0.171","","","","","","1.035","","","","has coordinates","220649","2020-10-21","18:00:00",""
"4127368","23.8341","0.0016","23.8341","0.0016","19.7558","0.0014","90","","90","","90","","11222.6","1.3","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C70 H40 O38 Th6 -","- C70 H40 O38 Th6 -","- C140 H80 O76 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0391","0.029","","","0.0788","0.0836","","","","","","1.05","","","","has coordinates","220650","2020-10-21","18:00:00",""
"4127369","23.9422","0.001","23.9422","0.001","19.4231","0.001","90","","90","","90","","11133.9","0.9","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O38 Th6 -","- C64 H48 O38 Th6 -","- C128 H96 O76 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.072","0.0581","","","0.1469","0.1645","","","","","","1.047","","","","has coordinates","220651","2020-10-21","18:00:00",""
"4127370","23.6374","0.001","23.6374","0.001","19.3363","0.0009","90","","90","","90","","10803.7","0.8","100","2","100","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C84 H60 F6 O34 U6 -","- C84 H60 F6 O34 U6 -","- C168 H120 F12 O68 U12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0671","0.048","","","0.1233","0.1359","","","","","","1.035","","","","has coordinates","220652","2020-10-21","18:00:00",""
"4127371","23.7918","0.0008","23.7918","0.0008","19.6923","0.0007","90","","90","","90","","11146.8","0.7","100","2","100","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C80 H60 N2 O40 Th6 -","- C80 H60 N2 O40 Th6 -","- C160 H120 N4 O80 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0544","0.0438","","","0.1131","0.1211","","","","","","1.042","","","","has coordinates","220653","2020-10-21","18:00:00",""
"4127372","12.7477","0.0003","13.0092","0.0003","19.8574","0.0004","92.3462","0.0017","90.9972","0.0016","96.6033","0.0017","3267.7","0.13","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H68 B F24 P2 Rh -","- C62 H68 B F24 P2 Rh -","- C124 H136 B2 F48 P4 Rh2 -","2","1","","McKay, Alasdair I.; Bukvic, Alexander J.; Tegner, Bengt E.; Burnage, Arron L.; Martı Nez-Martı Nez, Antonio J; Rees, Nicholas H.; Macgregor, Stuart A.; Weller, Andrew S.","Room Temperature Acceptorless Alkane Dehydrogenation from Molecular σ-Alkane Complexes.","Journal of the American Chemical Society","2019","141","29","11700","11712","10.1021/jacs.9b05577","","x-ray","1.54184","CuKα","","0.0553","0.0511","","","0.1475","0.1509","","","","","","1.096","","","","has coordinates,has disorder","220654","2020-10-21","18:00:00",""
"4127373","19.1238","0.0003","34.6204","0.0005","19.5735","0.0003","90","","90.624","0.002","90","","12958.3","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H70 B F24 P2 Rh -","- C62 H70 B F24 P2 Rh -","- C496 H560 B8 F192 P16 Rh8 -","8","2","","McKay, Alasdair I.; Bukvic, Alexander J.; Tegner, Bengt E.; Burnage, Arron L.; Martı Nez-Martı Nez, Antonio J; Rees, Nicholas H.; Macgregor, Stuart A.; Weller, Andrew S.","Room Temperature Acceptorless Alkane Dehydrogenation from Molecular σ-Alkane Complexes.","Journal of the American Chemical Society","2019","141","29","11700","11712","10.1021/jacs.9b05577","","x-ray","1.54184","CuKα","","0.1054","0.0949","","","0.2456","0.2543","","","","","","1.059","","","","has coordinates,has disorder","220654","2020-10-21","18:00:00",""
"4127374","12.7582","0.0016","12.9595","0.0015","19.8097","0.0008","92.028","0.006","90.685","0.007","96.23","0.001","3253.5","0.6","150.01","0.11","150.01","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C62 H68 B F24 P2 Rh -","- C62 H68 B F24 P2 Rh -","- C124 H136 B2 F48 P4 Rh2 -","2","1","","McKay, Alasdair I.; Bukvic, Alexander J.; Tegner, Bengt E.; Burnage, Arron L.; Martı Nez-Martı Nez, Antonio J; Rees, Nicholas H.; Macgregor, Stuart A.; Weller, Andrew S.","Room Temperature Acceptorless Alkane Dehydrogenation from Molecular σ-Alkane Complexes.","Journal of the American Chemical Society","2019","141","29","11700","11712","10.1021/jacs.9b05577","","x-ray","1.54184","CuKα","","0.1346","0.1095","","","0.2956","0.3237","","","","","","1.139","","","","has coordinates,has disorder","220654","2020-10-21","18:00:00",""
"4127375","19.2893","0.0002","17.2828","0.0001","20.2622","0.0001","90","","91.149","0.001","90","","6753.51","0.09","249.99","0.1","249.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H68 B F24 P2 Rh -","- C64 H68 B F24 P2 Rh -","- C256 H272 B4 F96 P8 Rh4 -","4","0.5","","McKay, Alasdair I.; Bukvic, Alexander J.; Tegner, Bengt E.; Burnage, Arron L.; Martı Nez-Martı Nez, Antonio J; Rees, Nicholas H.; Macgregor, Stuart A.; Weller, Andrew S.","Room Temperature Acceptorless Alkane Dehydrogenation from Molecular σ-Alkane Complexes.","Journal of the American Chemical Society","2019","141","29","11700","11712","10.1021/jacs.9b05577","","x-ray","1.54178","CuKα","","0.0597","0.0548","","","0.1653","0.1709","","","","","","1.076","","","","has coordinates,has disorder","220654","2020-10-21","18:00:00",""
"4127376","19.1736","0.0008","17.6512","0.0008","19.7601","0.0012","90","","91.086","0.005","90","","6686.3","0.6","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H72 B F24 P2 Rh -","- C64 H72 B F24 P2 Rh -","- C256 H288 B4 F96 P8 Rh4 -","4","0.5","","McKay, Alasdair I.; Bukvic, Alexander J.; Tegner, Bengt E.; Burnage, Arron L.; Martı Nez-Martı Nez, Antonio J; Rees, Nicholas H.; Macgregor, Stuart A.; Weller, Andrew S.","Room Temperature Acceptorless Alkane Dehydrogenation from Molecular σ-Alkane Complexes.","Journal of the American Chemical Society","2019","141","29","11700","11712","10.1021/jacs.9b05577","","x-ray","1.54184","CuKα","","0.1082","0.1031","","","0.212","0.2141","","","","","","1.082","","","","has coordinates,has disorder","220654","2020-10-21","18:00:00",""
"4127377","8.0473","0.0007","5.7982","0.0007","15.2584","0.0016","90","","104.905","0.008","90","","688","0.13","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H15 F3 -","- C17 H15 F3 -","- C34 H30 F6 -","2","1","","Trost, Barry M.; Gholami, Hadi; Zell, Daniel","Palladium-Catalyzed Asymmetric Allylic Fluoroalkylation/Trifluoromethylation.","Journal of the American Chemical Society","2019","141","29","11446","11451","10.1021/jacs.9b06231","","","1.54178","CuKα","","0.0381","0.0348","","","0.0831","0.0846","","","","","","1.061","","","","has coordinates,has disorder","220655","2020-10-21","18:00:00",""
"4127378","6.699","0.001","9.902","0.0013","12.655","0.008","90","","105.339","0.01","90","","809.5","0.5","296.1","","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H13 N5 Ni O S4 -","- C11 H13 N5 Ni O S4 -","- C22 H26 N10 Ni2 O2 S8 -","2","1","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.55981","Synchrotron(SPring-8BL02B1)","","","0.0633","","","","0.1311","","","","","","1.086","","","","has coordinates","220656","2020-10-21","18:00:00",""
"4127379","9.291","0.001","11.504","0.0015","10.88","0.001","90","","104.696","0.007","90","","1124.9","0.2","296","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 N6 Pt S4 -","- C18 H16 N6 Pt S4 -","- C36 H32 N12 Pt2 S8 -","2","0.5","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.55981","Synchrotron(SPring-8BL02B1)","","","0.0625","","","","0.1904","","","","","","1.149","","","","has coordinates","220657","2020-10-21","18:00:00",""
"4127380","7.7723","0.0007","20.4416","0.0018","14.1183","0.0012","90","","96.37","0.001","90","","2229.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H76 N6 Ni S4 -","- C40 H76 N6 Ni S4 -","- C80 H152 N12 Ni2 S8 -","2","0.5","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.71075","MoKα","","0.0335","0.0319","","","0.0817","0.0831","","","","","","1.03","","","","has coordinates","220658","2020-10-21","18:00:00",""
"4127381","6.576","0.002","24.36","0.008","9.895","0.003","90","","90.107","0.004","90","","1585.1","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C11 H13 N5 Ni O S4 -","- C11 H13 N5 Ni O S4 -","- C44 H52 N20 Ni4 O4 S16 -","4","1","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.71075","MoKα","","0.0747","0.0466","","","0.0778","0.0847","","","","","","1","","","","has coordinates","220659","2020-10-21","18:00:00",""
"4127382","9.8084","0.0013","10.0948","0.0013","15.219","0.002","72.721","0.001","79.401","0.001","89.378","0.001","1412.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H41 N5 Ni S4 -","- C24 H41 N5 Ni S4 -","- C48 H82 N10 Ni2 S8 -","2","1","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.71069","MoKα","","0.042","0.0402","","","0.0969","0.0975","","","","","","1.391","","","","has coordinates","220660","2020-10-21","18:00:00",""
"4127383","9.116","0.0007","11.69","0.0009","10.82","0.0005","90","","104.803","0.004","90","","1114.78","0.13","296.1","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 N6 Pd S4 -","- C18 H16 N6 Pd S4 -","- C36 H32 N12 Pd2 S8 -","2","0.5","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.55981","Synchrotron(SPring-8BL02B1)","","","0.0472","","","","0.1398","","","","","","1.131","","","","has coordinates","220661","2020-10-21","18:00:00",""
"4127384","9.2903","0.0012","18.511","0.002","16.684","0.002","90","","95.773","0.002","90","","2854.6","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 N5 Ni S4 -","- C24 H40 N5 Ni S4 -","- C96 H160 N20 Ni4 S16 -","4","1","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.71073","MoKα","","","0.0411","","","","0.1","","","","","","1.012","","","","has coordinates","220662","2020-10-21","18:00:00",""
"4127385","9.9538","0.0013","10.2166","0.0013","15.106","0.002","72.181","0.001","80.224","0.001","89.566","0.001","1439.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H41 N5 Pt S4 -","- C24 H41 N5 Pt S4 -","- C48 H82 N10 Pt2 S8 -","2","1","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.71069","MoKα","","0.038","0.037","","","0.0973","0.0976","","","","","","1.371","","","","has coordinates","220663","2020-10-21","18:00:00",""
"4127386","10.012","0.0018","18.468","0.003","21.823","0.004","90","","92.408","0.004","90","","4031.5","1.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H90 Cu2 F8 O P6 -","- C86 H90 Cu2 F8 O P6 -","- C172 H180 Cu4 F16 O2 P12 -","2","0.5","","Andrella, Nicholas O.; Xu, Nancy; Gabidullin, Bulat M.; Ehm, Christian; Baker, R. Tom","Selective Copper Complex-Catalyzed Hydrodefluorination of Fluoroalkenes and Allyl Fluorides: A Tale of Two Mechanisms.","Journal of the American Chemical Society","2019","141","29","11506","11521","10.1021/jacs.9b03101","","","0.71073","MoKα","","0.0638","0.0389","","","0.0974","0.1141","","","","","","1.06","","","","has coordinates,has disorder","220664","2020-10-21","18:00:00",""
"4127387","9.098","0.006","10.652","0.003","13.365","0.006","90","","103.019","0.019","90","","1261.9","1.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H41 N O4 S -","- C28 H41 N O4 S -","- C56 H82 N2 O8 S2 -","2","1","","Guo, Lian-Dong; Hou, Jieping; Tu, Wentong; Zhang, Yan; Zhang, Yue; Chen, Louxi; Xu, Jing","Total Synthesis of Dapholdhamine B and Dapholdhamine B Lactone.","Journal of the American Chemical Society","2019","141","29","11713","11720","10.1021/jacs.9b05641","","x-ray","0.71073","MoKα","","0.0503","0.0474","","","0.1189","0.1216","","","","","","1.044","","","","has coordinates","220665","2020-10-21","18:00:00",""
"4127388","8.2356","0.001","14.7564","0.0017","14.756","","90","","90","","90","","1793.3","0.3","100","2","99.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 N O2 -","- C21 H33 N O2 -","- C84 H132 N4 O8 -","4","1","","Guo, Lian-Dong; Hou, Jieping; Tu, Wentong; Zhang, Yan; Zhang, Yue; Chen, Louxi; Xu, Jing","Total Synthesis of Dapholdhamine B and Dapholdhamine B Lactone.","Journal of the American Chemical Society","2019","141","29","11713","11720","10.1021/jacs.9b05641","","","1.54178","CuKα","","0.0434","0.042","","","0.1167","0.118","","","","","","1.062","","","","has coordinates","220666","2020-10-21","18:00:00",""
"4127389","38.5549","0.0016","38.5549","0.0016","14.8445","0.0007","90","","90","","120","","19109.8","1.4","100","","100","","","","","","","","","5","P 62","P 62","171","","","","- C36 H41 N O7 S -","- C36 H41 N O7 S -","- C864 H984 N24 O168 S24 -","24","4","","Guo, Lian-Dong; Hou, Jieping; Tu, Wentong; Zhang, Yan; Zhang, Yue; Chen, Louxi; Xu, Jing","Total Synthesis of Dapholdhamine B and Dapholdhamine B Lactone.","Journal of the American Chemical Society","2019","141","29","11713","11720","10.1021/jacs.9b05641","","x-ray","0.71073","MoKα","","0.0787","0.0542","","","0.0952","0.102","","","","","","1.121","","","","has coordinates,has disorder","220667","2020-10-21","18:00:00",""
"4127390","8.32811","0.00006","10.96364","0.00007","16.54433","0.00009","90","","90","","90","","1510.6","0.017","140.01","0.1","140.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Wu, Hua; Wang, Qian; Zhu, Jieping","Catalytic Enantioselective Pinacol and Meinwald Rearrangements for the Construction of Quaternary Stereocenters.","Journal of the American Chemical Society","2019","141","29","11372","11377","10.1021/jacs.9b04551","","x-ray","1.54184","CuKα","","0.0252","0.025","","","0.0663","0.0666","","","","","","1.06","","","","has coordinates","220668","2020-10-21","18:00:00",""
"4127391","19.4978","0.0009","15.492","0.0008","15.3385","0.0007","116.236","0.002","108.509","0.002","93.369","0.002","3831.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H81.9 Cd2 N8 O14 -","- C84 H81.894 Cd2 N8 O14 -","- C168 H163.788 Cd4 N16 O28 -","2","1","","Claassens, Isabella E.; Barbour, Leonard J.; Haynes, Delia A.","A Multistimulus Responsive Porous Coordination Polymer: Temperature-Mediated Control of Solid-State [2+2] Cycloaddition.","Journal of the American Chemical Society","2019","141","29","11425","11429","10.1021/jacs.9b05961","","","0.71073","MoKα","","0.0554","0.0393","","","0.0774","0.0865","","","","","","1.039","","","","has coordinates,has disorder","220669","2020-10-21","18:00:00",""
"4127392","19.811","0.002","15.4443","0.0016","15.0786","0.0014","115.954","0.003","108.416","0.003","94.546","0.003","3805.7","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H66 Cd2 N6 O12 -","- C76 H66 Cd2 N6 O12 -","- C152 H132 Cd4 N12 O24 -","2","1","","Claassens, Isabella E.; Barbour, Leonard J.; Haynes, Delia A.","A Multistimulus Responsive Porous Coordination Polymer: Temperature-Mediated Control of Solid-State [2+2] Cycloaddition.","Journal of the American Chemical Society","2019","141","29","11425","11429","10.1021/jacs.9b05961","","","0.71073","MoKα","","0.0577","0.0419","","","0.0887","0.0972","","","","","","1.025","","","","has coordinates,has disorder","220669","2020-10-21","18:00:00",""
"4127393","20.0731","0.0012","15.4449","0.0009","15.1647","0.0008","114.71","0.002","107.275","0.002","95.625","0.002","3942.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H66 Cd2 N6 O12 -","- C76 H66 Cd2 N6 O12 -","- C152 H132 Cd4 N12 O24 -","2","1","","Claassens, Isabella E.; Barbour, Leonard J.; Haynes, Delia A.","A Multistimulus Responsive Porous Coordination Polymer: Temperature-Mediated Control of Solid-State [2+2] Cycloaddition.","Journal of the American Chemical Society","2019","141","29","11425","11429","10.1021/jacs.9b05961","","","0.71073","MoKα","","0.0951","0.0565","","","0.1071","0.1253","","","","","","1.017","","","","has coordinates,has disorder","220669","2020-10-21","18:00:00",""
"4127394","5.1729","0.0002","10.545","0.0004","35.9696","0.0011","90","","90","","90","","1962.08","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Bendelsmith, Andrew J.; Kim, Seohyun Chris; Wasa, Masayuki; Roche, Stéphane P; Jacobsen, Eric N.","Enantioselective Synthesis of α-Allyl Amino Esters via Hydrogen-Bond-Donor Catalysis.","Journal of the American Chemical Society","2019","141","29","11414","11419","10.1021/jacs.9b05556","","","1.54178","CuKα","","0.0384","0.0369","","","0.0857","0.0862","","","","","","1.098","","","","has coordinates,has disorder","220670","2020-10-21","18:00:00",""
"4127395","9.4527","0.0003","25.1917","0.0008","27.5943","0.0009","90","","90","","90","","6571","0.4","172","2","172","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Co I N2 O3 P -","- C30 H33 Co I N2 O3 P -","- C240 H264 Co8 I8 N16 O24 P8 -","8","2","","Ghorai, Samir; Chirke, Sahadev Shrihari; Xu, Wen-Bin; Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed Regio- and Enantioselective Allylic Amination.","Journal of the American Chemical Society","2019","141","29","11430","11434","10.1021/jacs.9b06035","","","1.54178","CuKα","","0.0663","0.0555","","","0.1446","0.1531","","","","","","1.021","","","","has coordinates","220671","2020-10-21","18:00:00",""
"4127396","12.3076","0.0004","11.2515","0.0004","14.7336","0.0005","90","","99.185","0.001","90","","2014.13","0.12","223","2","223","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H44 B2 Co F8 N5 O2 P -","- C36 H44 B2 Co F8 N5 O2 P -","- C72 H88 B4 Co2 F16 N10 O4 P2 -","2","1","","Ghorai, Samir; Chirke, Sahadev Shrihari; Xu, Wen-Bin; Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed Regio- and Enantioselective Allylic Amination.","Journal of the American Chemical Society","2019","141","29","11430","11434","10.1021/jacs.9b06035","","","1.54178","CuKα","","0.0555","0.0539","","","0.1573","0.1589","","","","","","1.027","","","","has coordinates","220672","2020-10-21","18:00:00",""
"4127397","9.7764","0.0018","10.02","0.002","10.928","0.002","112.897","0.014","98.386","0.015","93.96","0.02","966.3","0.3","223","2","223","2","","","","","","","","8","P 1","P 1","1","","","","- C35 H41 B2 Co F8 N4 O3 P -","- C35 H41 B2 Co F8 N4 O3 P -","- C35 H41 B2 Co F8 N4 O3 P -","1","1","","Ghorai, Samir; Chirke, Sahadev Shrihari; Xu, Wen-Bin; Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed Regio- and Enantioselective Allylic Amination.","Journal of the American Chemical Society","2019","141","29","11430","11434","10.1021/jacs.9b06035","","","1.54178","CuKα","","0.042","0.04","","","0.1054","0.11","","","","","","1.009","","","","has coordinates","220673","2020-10-21","18:00:00",""
"4127398","8.3713","0.0011","9.4586","0.0012","17.695","0.003","90","","90","","90","","1401.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 N2 O -","- C14 H20 N2 O -","- C56 H80 N8 O4 -","4","1","","Ghorai, Samir; Chirke, Sahadev Shrihari; Xu, Wen-Bin; Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed Regio- and Enantioselective Allylic Amination.","Journal of the American Chemical Society","2019","141","29","11430","11434","10.1021/jacs.9b06035","","","1.54178","CuKα","","0.0606","0.0517","","","0.1463","0.1586","","","","","","1.007","","","","has coordinates","220674","2020-10-21","18:00:00",""
"4127399","17.635","0.0015","22.345","0.002","22.944","0.002","90","","90","","90","","9041.2","1.4","150","2","150","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C21 H15 N2 O5 Zn -","- C21 H15 N2 O5 Zn -","- C336 H240 N32 O80 Zn16 -","16","1","","Rouhani, Farzaneh; Rafizadeh-Masuleh, Fatemeh; Morsali, Ali","Highly Electroconductive Metal-Organic Framework: Tunable by Metal Ion Sorption Quantity.","Journal of the American Chemical Society","2019","141","28","11173","11182","10.1021/jacs.9b04173","","","0.71073","MoKα","","0.0719","0.0448","","","0.108","0.1323","","","","","","1.103","","","","has coordinates","220675","2020-10-21","18:00:00",""
"4127400","15.9057","0.0006","15.2617","0.0005","19.1797","0.0007","90","","93.394","0.002","90","","4647.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","SVK5_38_2","SVK5_56","","- C49 H69 Mo N O4 -","- C49 H69 Mo N O4 -","- C196 H276 Mo4 N4 O16 -","4","1","","von Kugelgen, Stephen; Piskun, Ilya; Griffin, James H.; Eckdahl, Christopher T.; Jarenwattananon, Nanette N.; Fischer, Felix R.","Templated Synthesis of End-Functionalized Graphene Nanoribbons through Living Ring-Opening Alkyne Metathesis Polymerization.","Journal of the American Chemical Society","2019","141","28","11050","11058","10.1021/jacs.9b01805","","","0.71073","MoKα","","0.045","0.0382","","","0.0908","0.0966","","","","","","1.078","","","","has coordinates,has disorder","220677","2020-10-21","18:00:00",""
"4127401","5.5153","0.0002","15.9898","0.0007","20.1319","0.0005","87.836","0.003","86.477","0.003","89.047","0.004","1770.6","0.11","100","2","100","2","","","","","","","","2","P -1","-P 1","2","SVK4_120","SVK4_173","","- C28 H16 -","- C28 H16 -","- C112 H64 -","4","2","","von Kugelgen, Stephen; Piskun, Ilya; Griffin, James H.; Eckdahl, Christopher T.; Jarenwattananon, Nanette N.; Fischer, Felix R.","Templated Synthesis of End-Functionalized Graphene Nanoribbons through Living Ring-Opening Alkyne Metathesis Polymerization.","Journal of the American Chemical Society","2019","141","28","11050","11058","10.1021/jacs.9b01805","","x-ray","1.54184","CuKα","","0.0645","0.0496","","","0.1378","0.1496","","","","","","1.076","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4127402","13.492","0.005","6.731","0.002","16.668","0.006","90","","113.874","0.003","90","","1384.2","0.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","Gandelman332b (Andreii)","","","- C23 H27 F3 O10 S -","- C23 H27 F3 O10 S -","- C46 H54 F6 O20 S2 -","2","1","","Varenikov, Andrii; Gandelman, Mark","Organotitanium Nucleophiles in Asymmetric Cross-Coupling Reaction: Stereoconvergent Synthesis of Chiral α-CF<sub>3</sub> Thioethers.","Journal of the American Chemical Society","2019","141","28","10994","10999","10.1021/jacs.9b05671","","","0.71073","MoKα","","0.0753","0.041","","","0.0756","0.0848","","","","","","0.848","","","","has coordinates","220679","2020-10-21","18:00:00",""
"4127403","10.2316","0.0009","6.1453","0.0005","16.0261","0.0014","90","","92.615","0.002","90","","1006.61","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Gandelman335b (Andreii)","","","- C24 H21 F3 S -","- C24 H21 F3 S -","- C48 H42 F6 S2 -","2","1","","Varenikov, Andrii; Gandelman, Mark","Organotitanium Nucleophiles in Asymmetric Cross-Coupling Reaction: Stereoconvergent Synthesis of Chiral α-CF<sub>3</sub> Thioethers.","Journal of the American Chemical Society","2019","141","28","10994","10999","10.1021/jacs.9b05671","","","0.71073","MoKα","","0.0375","0.0341","","","0.0793","0.0806","","","","","","1.003","","","","has coordinates","220680","2020-10-21","18:00:00",""
"4127404","15.419","0.001","15.516","0.001","20.404","0.002","90","","110.38","0.01","90","","4575.9","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C88 H18 Gd3 N3 -","- C88 H18 Gd3 N3 -","- C352 H72 Gd12 N12 -","4","0.5","","Semivrazhskaya, Olesya; Romero-Rivera, Adrian; Aroua, Safwan; Troyanov, Sergey I.; Garcia-Borràs, Marc; Stevenson, Steven; Osuna, Sílvia; Yamakoshi, Yoko","Structures of Gd<sub>3</sub>N@C<sub>80</sub> Prato Bis-Adducts: Crystal Structure, Thermal Isomerization, and Computational Study.","Journal of the American Chemical Society","2019","141","28","10988","10993","10.1021/jacs.9b05603","","","0.895","synchrotron","","0.1958","0.1632","","","0.3732","0.3901","","","","","","1.062","","","","has coordinates","220681","2020-10-21","18:00:00",""
"4127405","14.6746","0.001","12.851","0.0006","39.91","0.002","90","","93.387","0.006","90","","7513.2","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77 H110 Al Cl2 K N4 O7 -","- C77 H110 Al Cl2 K N4 O7 -","- C308 H440 Al4 Cl8 K4 N16 O28 -","4","1","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.1585","0.0803","","","0.171","0.227","","","","","","0.995","","","","has coordinates,has disorder","220682","2020-10-21","18:00:00",""
"4127406","16.515","0.0001","19.7342","0.0001","25.2426","0.0001","90","","97.22","","90","","8161.59","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H119 Al K N4 O7 -","- C86 H119 Al K N4 O7 -","- C344 H476 Al4 K4 N16 O28 -","4","1","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.0448","0.0418","","","0.1124","0.1155","","","","","","1.036","","","","has coordinates","220683","2020-10-21","18:00:00",""
"4127407","12.0844","0.0003","15.1299","0.0005","18.6922","0.0005","68.703","0.003","89.157","0.002","89.394","0.002","3183.82","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C146 H180 Al2 K2 N4 O2 -","- C146 H180 Al2 K2 N4 O2 -","- C146 H180 Al2 K2 N4 O2 -","1","0.5","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.0534","0.0479","","","0.1312","0.1371","","","","","","1.025","","","","has coordinates,has disorder","220684","2020-10-21","18:00:00",""
"4127408","12.7012","0.0005","15.1963","0.0007","46.196","0.002","90","","90.502","0.004","90","","8916","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H127 Al K N4 O7 -","- C96 H127 Al K N4 O7 -","- C384 H508 Al4 K4 N16 O28 -","4","1","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.1262","0.0852","","","0.1986","0.2295","","","","","","1.036","","","","has coordinates,has disorder","220685","2020-10-21","18:00:00",""
"4127409","18.8947","0.0002","13.245","0.0001","29.8151","0.0003","90","","94.621","0.001","90","","7437.28","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H110 Al K N4 O7 -","- C77 H110 Al K N4 O7 -","- C308 H440 Al4 K4 N16 O28 -","4","1","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.0534","0.0409","","","0.1032","0.1139","","","","","","1.022","","","","has coordinates,has disorder","220686","2020-10-21","18:00:00",""
"4127410","6.626","0.0004","19.1358","0.001","24.4346","0.001","90","","90","","90","","3098.2","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H18 Cl2 Sn2 -","- C10 H18 Cl2 Sn2 -","- C80 H144 Cl16 Sn16 -","8","1","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.0933","0.0504","","","0.1187","0.1665","","","","","","1.005","","","","has coordinates","220687","2020-10-21","18:00:00",""
"4127411","20.5108","0.0002","12.9151","0.0001","29.5577","0.0003","90","","93.09","0.001","90","","7818.42","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C83 H116 Al K N4 O7 -","- C83 H116 Al K N4 O7 -","- C332 H464 Al4 K4 N16 O28 -","4","1","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.062","0.0448","","","0.1125","0.1231","","","","","","1.028","","","","has coordinates,has disorder","220688","2020-10-21","18:00:00",""
"4127412","10.3691","0.0005","17.1035","0.0008","11.0229","0.0005","90","","97.966","0.002","90","","1936.02","0.16","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39.87 H53.87 Cl2.62 N O4 -","- C39.874 H53.874 Cl2.622 N O4 -","- C79.748 H107.748 Cl5.244 N2 O8 -","2","1","","Wen, Saishuai; Boyce, Jonathan H.; Kandappa, Sunil K.; Sivaguru, Jayaraman; Porco, Jr, John A","Regiodivergent Photocyclization of Dearomatized Acylphloroglucinols: Asymmetric Syntheses of (-)-Nemorosone and (-)-6-<i>epi</i>-Garcimultiflorone A.","Journal of the American Chemical Society","2019","141","28","11315","11321","10.1021/jacs.9b05600","","","1.54178","CuKα","","0.0437","0.042","","","0.1177","0.1193","","","","","","1.04","","","","has coordinates,has disorder","220689","2020-10-21","18:00:00",""
"4127413","33.1205","0.001","11.3921","0.0003","25.2617","0.0013","90","","129.951","0.002","90","","7306.8","0.5","100","1","100","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C41 H57 N O4 -","- C41 H57 N O4 -","- C328 H456 N8 O32 -","8","2","","Wen, Saishuai; Boyce, Jonathan H.; Kandappa, Sunil K.; Sivaguru, Jayaraman; Porco, Jr, John A","Regiodivergent Photocyclization of Dearomatized Acylphloroglucinols: Asymmetric Syntheses of (-)-Nemorosone and (-)-6-<i>epi</i>-Garcimultiflorone A.","Journal of the American Chemical Society","2019","141","28","11315","11321","10.1021/jacs.9b05600","","","1.54178","CuKα","","0.0492","0.0411","","","0.1042","0.1095","","","","","","1.058","","","","has coordinates,has disorder","220690","2020-10-21","18:00:00",""
"4127414","10.04169","0.00013","31.9979","0.0003","17.15695","0.00014","90","","98.8434","0.001","90","","5447.22","0.1","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60.82 H58.82 B Cl1.13 Co N7.82 O -","- C60.818 H58.818 B Cl1.13 Co N7.818 O -","- C243.272 H235.272 B4 Cl4.52 Co4 N31.272 O4 -","4","1","","Kumar, Praveen; Lindeman, Sergey V.; Fiedler, Adam T.","Cobalt Superoxo and Alkylperoxo Complexes Derived from Reaction of Ring-Cleaving Dioxygenase Models with O<sub>2</sub>.","Journal of the American Chemical Society","2019","141","28","10984","10987","10.1021/jacs.9b05320","","x-ray","1.54184","CuKα","","0.0576","0.0537","","","0.1304","0.1324","","","","","","1.163","","","","has coordinates,has disorder","220691","2020-10-21","18:00:00",""
"4127415","14.9078","0.00014","9.95186","0.00011","37.7389","0.0004","90","","92.4141","0.0009","90","","5593.99","0.1","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61.18 H55.18 B Cl2.2 Co N7.54 O -","- C61.1769 H55.1818 B Cl2.2022 Co N7.538 O -","- C244.708 H220.727 B4 Cl8.8088 Co4 N30.152 O4 -","4","1","","Kumar, Praveen; Lindeman, Sergey V.; Fiedler, Adam T.","Cobalt Superoxo and Alkylperoxo Complexes Derived from Reaction of Ring-Cleaving Dioxygenase Models with O<sub>2</sub>.","Journal of the American Chemical Society","2019","141","28","10984","10987","10.1021/jacs.9b05320","","x-ray","1.54184","CuKα","","0.0616","0.0583","","","0.1577","0.1609","","","","","","1.055","","","","has coordinates,has disorder","220691","2020-10-21","18:00:00",""
"4127416","7.63615","0.00004","18.95826","0.00009","26.67111","0.00012","90","","96.6314","0.0004","90","","3835.29","0.03","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 B Co N10 O -","- C35 H53 B Co N10 O -","- C140 H212 B4 Co4 N40 O4 -","4","1","","Kumar, Praveen; Lindeman, Sergey V.; Fiedler, Adam T.","Cobalt Superoxo and Alkylperoxo Complexes Derived from Reaction of Ring-Cleaving Dioxygenase Models with O<sub>2</sub>.","Journal of the American Chemical Society","2019","141","28","10984","10987","10.1021/jacs.9b05320","","x-ray","1.54184","CuKα","","0.0335","0.0334","","","0.0863","0.0865","","","","","","1.036","","","","has coordinates","220691","2020-10-21","18:00:00",""
"4127417","9.6841","0.0003","9.7745","0.0003","20.6176","0.0006","87.688","0.002","87.32","0.002","66.582","0.003","1788.39","0.1","100.05","0.1","100.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C33 H49 B Co N9 O3 -","- C33 H49 B Co N9 O3 -","- C66 H98 B2 Co2 N18 O6 -","2","1","","Kumar, Praveen; Lindeman, Sergey V.; Fiedler, Adam T.","Cobalt Superoxo and Alkylperoxo Complexes Derived from Reaction of Ring-Cleaving Dioxygenase Models with O<sub>2</sub>.","Journal of the American Chemical Society","2019","141","28","10984","10987","10.1021/jacs.9b05320","","x-ray","1.54184","CuKα","","0.0359","0.0344","","","0.0889","0.0904","","","","","","1.015","","","","has coordinates","220691","2020-10-21","18:00:00",""
"4127418","7.7385","0.0002","10.0689","0.0003","22.2625","0.0006","84.589","0.002","87.358","0.002","68.153","0.003","1602.78","0.08","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H45 B Co N7 O2 -","- C31 H45 B Co N7 O2 -","- C62 H90 B2 Co2 N14 O4 -","2","1","","Kumar, Praveen; Lindeman, Sergey V.; Fiedler, Adam T.","Cobalt Superoxo and Alkylperoxo Complexes Derived from Reaction of Ring-Cleaving Dioxygenase Models with O<sub>2</sub>.","Journal of the American Chemical Society","2019","141","28","10984","10987","10.1021/jacs.9b05320","","x-ray","1.54184","CuKα","","0.0285","0.0273","","","0.0694","0.0704","","","","","","1.055","","","","has coordinates","220691","2020-10-21","18:00:00",""
"4127419","22.966","0.0004","22.9639","0.0003","19.8929","0.0003","90","","98.229","0.001","90","","10383.3","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- As32 Ga22 Sr15 -","- As32 Ga22 Sr14.9987 -","- As192 Ga132 Sr89.992 -","6","0.75","","Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk","Supertetrahedral Layers Based on GaAs or InAs.","Journal of the American Chemical Society","2019","141","28","11245","11252","10.1021/jacs.9b04712","","","0.71073","MoKα","","0.0793","0.0365","","","0.0642","0.0765","","","","","","1.011","","","","has coordinates","220692","2020-10-21","18:00:00",""
"4127420","22.8204","0.0007","22.8257","0.0007","19.7972","0.0006","90","","98.237","0.001","90","","10205.8","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- As32 Eu15 Ga22 -","- As32 Eu15 Ga22 -","- As192 Eu90 Ga132 -","6","0.75","","Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk","Supertetrahedral Layers Based on GaAs or InAs.","Journal of the American Chemical Society","2019","141","28","11245","11252","10.1021/jacs.9b04712","","","0.71073","MoKα","","0.0926","0.0724","","","0.1573","0.1674","","","","","","1.085","","","","has coordinates","220693","2020-10-21","18:00:00",""
"4127421","23.703","0.002","23.702","0.002","22.337","0.002","90","","113.473","0.002","90","","11510.7","1.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- As32 Eu15 In22 -","- As32 Eu15 In22 -","- As192 Eu90 In132 -","6","0.75","","Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk","Supertetrahedral Layers Based on GaAs or InAs.","Journal of the American Chemical Society","2019","141","28","11245","11252","10.1021/jacs.9b04712","","","0.71073","MoKα","","0.0749","0.0553","","","0.1499","0.164","","","","","","1.059","","","","has coordinates","220694","2020-10-21","18:00:00",""
"4127422","22.8363","0.0013","22.8335","0.0013","26.8169","0.0015","90","","108.613","0.002","90","","13251.8","1.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- As8 Ga6 Sr3 -","- As8 Ga6 Sr3 -","- As256 Ga192 Sr96 -","32","4","","Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk","Supertetrahedral Layers Based on GaAs or InAs.","Journal of the American Chemical Society","2019","141","28","11245","11252","10.1021/jacs.9b04712","","","0.71073","MoKα","","0.1884","0.1159","","","0.3198","0.3773","","","","","","1.067","","","","has coordinates","220695","2020-10-21","18:00:00",""
"4127423","22.74","0.003","22.747","0.003","25.505","0.003","90","","96.393","0.002","90","","13111","3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- As8 Eu3 Ga6 -","- As8 Eu3 Ga6 -","- As256 Eu96 Ga192 -","32","4","","Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk","Supertetrahedral Layers Based on GaAs or InAs.","Journal of the American Chemical Society","2019","141","28","11245","11252","10.1021/jacs.9b04712","","","0.71073","MoKα","","0.1663","0.1306","","","0.289","0.312","","","","","","1.177","","","","has coordinates","220696","2020-10-21","18:00:00",""
"4127424","23.838","0.005","23.818","0.004","20.763","0.004","90","","98.244","0.006","90","","11667","4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- As32 In22 Sr15 -","- As32 In22 Sr15.0027 -","- As192 In132 Sr90.016 -","6","0.75","","Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk","Supertetrahedral Layers Based on GaAs or InAs.","Journal of the American Chemical Society","2019","141","28","11245","11252","10.1021/jacs.9b04712","","","0.71073","MoKα","","0.0535","0.0403","","","0.0853","0.0912","","","","","","1.044","","","","has coordinates","220697","2020-10-21","18:00:00",""
"4127425","9.648","0.003","13.538","0.004","17.653","0.005","73.166","0.004","82.859","0.004","79.983","0.004","2166.6","1.1","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H63 F5 Mn N11 O4 -","- C35 H63 F5 Mn N11 O4 -","- C70 H126 F10 Mn2 N22 O8 -","2","1","","Barman, Suman K.; Jones, Jason R.; Sun, Chen; Hill, Ethan A.; Ziller, Joseph W.; Borovik, A. S.","Regulating the Basicity of Metal-Oxido Complexes with a Single Hydrogen Bond and Its Effect on C-H Bond Cleavage.","Journal of the American Chemical Society","2019","141","28","11142","11150","10.1021/jacs.9b03688","","","0.71073","MoKα","","0.1759","0.0931","","","0.2241","0.2745","","","","","","1.039","","","","has coordinates","220698","2020-10-21","18:00:00",""
"4127426","14.9408","0.001","14.9961","0.001","20.1209","0.0013","99.7945","0.0009","105.665","0.0008","94.1267","0.0009","4244.3","0.5","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H103 K4 Mn2 N17 O15 -","- C57 H101 K4 Mn2 N17 O15 -","- C114 H202 K8 Mn4 N34 O30 -","2","1","","Barman, Suman K.; Jones, Jason R.; Sun, Chen; Hill, Ethan A.; Ziller, Joseph W.; Borovik, A. S.","Regulating the Basicity of Metal-Oxido Complexes with a Single Hydrogen Bond and Its Effect on C-H Bond Cleavage.","Journal of the American Chemical Society","2019","141","28","11142","11150","10.1021/jacs.9b03688","","","0.71073","MoKα","","0.1239","0.0873","","","0.2389","0.2666","","","","","","1.035","","","","has coordinates","220699","2020-10-21","18:00:00",""
"4127427","19.2243","0.0006","8.7543","0.0003","9.7102","0.0003","90","","90","","90","","1634.18","0.09","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C18 H12 Br Cl2 N O -","- C18 H12 Br Cl2 N O -","- C72 H48 Br4 Cl8 N4 O4 -","4","1","","Cai, Lingchao; Zhang, Kui; Chen, Shuming; Lepage, Romain J.; Houk, K. N.; Krenske, Elizabeth H.; Kwon, Ohyun","Catalytic Asymmetric Staudinger-aza-Wittig Reaction for the Synthesis of Heterocyclic Amines.","Journal of the American Chemical Society","2019","141","24","9537","9542","10.1021/jacs.9b04803","","","1.54178","CuKα","","0.0175","0.0173","","","0.04","0.0401","","","","","","1.067","","","","has coordinates","220700","2020-10-21","18:00:00",""
"4127428","10.4878","0.0002","26.6111","0.0006","27.2827","0.0006","69.0039","0.0007","87.263","0.0008","89.4717","0.0008","7100.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H52 B Cu F4 N6 O0.5 -","- C33 H52 B Cu F4 N6 O0.5 -","- C264 H416 B8 Cu8 F32 N48 O4 -","8","4","","Filonenko, Georgy A.; Sun, Dapeng; Weber, Manuela; Müller, Christian; Pidko, Evgeny A.","Multicolor Organometallic Mechanophores for Polymer Imaging Driven by Exciplex Level Interactions.","Journal of the American Chemical Society","2019","141","24","9687","9692","10.1021/jacs.9b04121","","","0.71073","MoKα","","0.1098","0.0726","","","0.1747","0.1957","","","","","","1.058","","","","has coordinates","220701","2020-10-21","18:00:00",""
"4127429","13.5651","0.0001","10.4389","0.0001","37.6598","0.0003","90","","95.8111","0.0004","90","","5305.4","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H78 B Cu N6 O -","- C59 H78 B Cu N6 O -","- C236 H312 B4 Cu4 N24 O4 -","4","1","","Filonenko, Georgy A.; Sun, Dapeng; Weber, Manuela; Müller, Christian; Pidko, Evgeny A.","Multicolor Organometallic Mechanophores for Polymer Imaging Driven by Exciplex Level Interactions.","Journal of the American Chemical Society","2019","141","24","9687","9692","10.1021/jacs.9b04121","","","1.54178","CuKα","","0.1112","0.0929","","","0.1934","0.2028","","","","","","1.101","","","","has coordinates","220702","2020-10-21","18:00:00",""
"4127430","11.2381","0.0002","13.6876","0.0002","16.2529","0.0003","78.7901","0.0007","81.5124","0.0007","87.161","0.0007","2424.95","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H68 B Cu N6 -","- C55 H68 B Cu N6 -","- C110 H136 B2 Cu2 N12 -","2","1","","Filonenko, Georgy A.; Sun, Dapeng; Weber, Manuela; Müller, Christian; Pidko, Evgeny A.","Multicolor Organometallic Mechanophores for Polymer Imaging Driven by Exciplex Level Interactions.","Journal of the American Chemical Society","2019","141","24","9687","9692","10.1021/jacs.9b04121","","","0.71073","MoKα","","0.0386","0.0323","","","0.0759","0.0792","","","","","","1.05","","","","has coordinates","220703","2020-10-21","18:00:00",""
"4127431","10.7234","0.0001","45.5153","0.0004","14.3298","0.0001","90","","108.898","0.0004","90","","6617.06","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H48 B Cu F4 N6 -","- C31 H48 B Cu F4 N6 -","- C248 H384 B8 Cu8 F32 N48 -","8","2","","Filonenko, Georgy A.; Sun, Dapeng; Weber, Manuela; Müller, Christian; Pidko, Evgeny A.","Multicolor Organometallic Mechanophores for Polymer Imaging Driven by Exciplex Level Interactions.","Journal of the American Chemical Society","2019","141","24","9687","9692","10.1021/jacs.9b04121","","","1.54178","CuKα","","0.0699","0.0483","","","0.1069","0.1165","","","","","","1.026","","","","has coordinates","220704","2020-10-21","18:00:00",""
"4127432","8.2708","0.0012","8.2708","0.0012","24.919","0.004","90","","90","","120","","1476.2","0.4","296","2","296.15","","","","","","","","","5","P 63/m","-P 6c","176","","","","- B20 Eu9 Mg O41 S2 -","- B20 Eu9 Mg O41 S2 -","- B40 Eu18 Mg2 O82 S4 -","2","0.166667","","Chi, Yang; Xu, Jing; Xue, Huai-Guo; Zhang, Yueping; Chen, Xiaolong; Whangbo, Myung-Hwan; Guo, Sheng-Ping; Deng, Shuiquan","Triple-Kagomé-Layer Slabs of Mixed-Valence Rare-Earth Ions Exhibiting Quantum Spin Liquid Behaviors: Synthesis and Characterization of Eu<sub>9</sub>MgS<sub>2</sub>B<sub>20</sub>O<sub>41</sub>.","Journal of the American Chemical Society","2019","141","24","9533","9536","10.1021/jacs.9b04627","","","0.71073","MoKα","","0.0248","0.0244","","","0.05","0.0502","","","","","","1.014","","","","has coordinates","220705","2020-10-21","18:00:00",""
"4127433","15.009","0.002","19.593","0.003","22.379","0.003","96.761","0.004","101.558","0.004","98.432","0.004","6304","1.5","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C82.24 H134.13 Ag15 Cl F17 N10.64 O19.64 S8 -","- C82.2454 H132.128 Ag15 Cl F17.0001 N10.6373 O19.6373 S8 -","- C164.491 H264.256 Ag30 Cl2 F34.0002 N21.2746 O39.2746 S16 -","2","1","","Alhilaly, Mohammad J.; Huang, Ren-Wu; Naphade, Rounak; Alamer, Badriah; Hedhili, Mohamed Nejib; Emwas, Abdul-Hamid; Maity, Partha; Yin, Jun; Shkurenko, Aleksander; Mohammed, Omar F.; Eddaoudi, Mohamed; Bakr, Osman M.","Assembly of Atomically Precise Silver Nanoclusters into Nanocluster-Based Frameworks.","Journal of the American Chemical Society","2019","141","24","9585","9592","10.1021/jacs.9b02486","","","0.71073","MoKα","","0.0737","0.0688","","","0.1704","0.1729","","","","","","1.091","","","","has coordinates,has disorder","220706","2020-10-21","18:00:00",""
"4127434","14.871","0.001","15.265","0.001","31.209","0.003","76.925","0.002","88.638","0.002","61.957","0.002","6062.6","0.8","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C71 H109 Ag14 Cl F15 N7 O13 S8 -","- C71 H109 Ag14 Cl F15.003 N7 O13 S8 -","- C142 H218 Ag28 Cl2 F30.006 N14 O26 S16 -","2","1","","Alhilaly, Mohammad J.; Huang, Ren-Wu; Naphade, Rounak; Alamer, Badriah; Hedhili, Mohamed Nejib; Emwas, Abdul-Hamid; Maity, Partha; Yin, Jun; Shkurenko, Aleksander; Mohammed, Omar F.; Eddaoudi, Mohamed; Bakr, Osman M.","Assembly of Atomically Precise Silver Nanoclusters into Nanocluster-Based Frameworks.","Journal of the American Chemical Society","2019","141","24","9585","9592","10.1021/jacs.9b02486","","","0.71073","MoKα","","0.0704","0.0615","","","0.1454","0.1499","","","","","","1.034","","","","has coordinates,has disorder","220707","2020-10-21","18:00:00",""
"4127435","19.697","0.001","22.605","0.001","49.495","0.002","90","","99.406","0.001","90","","21741.4","1.7","120","0.1","120","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C62.5 H112.5 Ag16 Cl F21 N5.5 O20.5 S8 -","- C62.5 H112.5 Ag16 Cl F21 N5.5 O20.5 S8 -","- C500 H900 Ag128 Cl8 F168 N44 O164 S64 -","8","1","","Alhilaly, Mohammad J.; Huang, Ren-Wu; Naphade, Rounak; Alamer, Badriah; Hedhili, Mohamed Nejib; Emwas, Abdul-Hamid; Maity, Partha; Yin, Jun; Shkurenko, Aleksander; Mohammed, Omar F.; Eddaoudi, Mohamed; Bakr, Osman M.","Assembly of Atomically Precise Silver Nanoclusters into Nanocluster-Based Frameworks.","Journal of the American Chemical Society","2019","141","24","9585","9592","10.1021/jacs.9b02486","","","0.71073","MoKα","","0.0722","0.0689","","","0.1678","0.1701","","","","","","1.167","","","","has coordinates,has disorder","220708","2020-10-21","18:00:00",""
"4127436","5.9675","0.0003","11.0636","0.0005","16.9266","0.0008","80.064","0.002","89.981","0.002","75.078","0.002","1062.5","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20.15 H27.88 Cl1.42 N O5 S -","- C20.152 H27.88 Cl1.424 N O5 S -","- C40.304 H55.76 Cl2.848 N2 O10 S2 -","2","1","","Ma, Rulin; Young, Jonathon; Promontorio, Rossella; Dannheim, Friederike M.; Pattillo, Christopher C.; White, M. Christina","Synthesis of anti-1,3 Amino Alcohol Motifs via Pd(II)/SOX Catalysis with the Capacity for Stereodivergence.","Journal of the American Chemical Society","2019","141","24","9468","9473","10.1021/jacs.9b02690","","","0.71073","MoKα","","0.0715","0.0644","","","0.1853","0.1951","","","","","","1.057","","","","has coordinates,has disorder","220709","2020-10-21","18:00:00",""
"4127437","5.9677","0.0003","11.8753","0.0006","15.0703","0.0007","106.578","0.002","100.198","0.002","104.47","0.002","954.99","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C32 H42 N2 O8 S2 -","2","1","","Ma, Rulin; Young, Jonathon; Promontorio, Rossella; Dannheim, Friederike M.; Pattillo, Christopher C.; White, M. Christina","Synthesis of anti-1,3 Amino Alcohol Motifs via Pd(II)/SOX Catalysis with the Capacity for Stereodivergence.","Journal of the American Chemical Society","2019","141","24","9468","9473","10.1021/jacs.9b02690","","","0.71073","MoKα","","0.0469","0.0388","","","0.0963","0.1008","","","","","","1.068","","","","has coordinates","220710","2020-10-21","18:00:00",""
"4127438","9.4161","0.0002","14.164","0.0002","15.0633","0.0003","90","","90","","90","","2008.99","0.07","170","2","169.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","1","","Wang, Qiang; Cai, Zhong-Jian; Liu, Chen-Xu; Gu, Qing; You, Shu-Li","Rhodium-Catalyzed Atroposelective C-H Arylation: Efficient Synthesis of Axially Chiral Heterobiaryls.","Journal of the American Chemical Society","2019","141","24","9504","9510","10.1021/jacs.9b03862","","","1.34139","GaKα","","0.0347","0.0335","","","0.085","0.0861","","","","","","1.075","","","","has coordinates","220711","2020-10-21","18:00:00",""
"4127439","9.8196","0.0016","16.119","0.003","18.203","0.003","105.095","0.006","92.986","0.006","98.258","0.005","2740.8","0.8","150.02","","150.02","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H80 N6 O -","- C63 H80 N6 O -","- C126 H160 N12 O2 -","2","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0714","0.0514","","","0.1356","0.1486","","","","","","1.035","","","","has coordinates,has disorder","220712","2020-10-21","18:00:00",""
"4127440","20.8294","0.0012","9.35","0.0005","19.8493","0.0017","90","","117.348","0.002","90","","3433.7","0.4","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N -","- C20 H28 N -","- C160 H224 N8 -","8","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.046","0.0417","","","0.109","0.1124","","","","","","1.054","","","","has coordinates","220713","2020-10-21","18:00:00",""
"4127441","8.8369","0.0006","34.229","0.002","16.6943","0.0011","90","","101.045","0.002","90","","4956.1","0.6","99.98","","99.98","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C29 H35 N3 -","- C29 H35 N3 -","- C232 H280 N24 -","8","2","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","1.54178","CuKα","","0.032","0.0311","","","0.1029","0.1094","","","","","","1.071","","","","has coordinates","220714","2020-10-21","18:00:00",""
"4127442","27.636","0.008","9.669","0.003","15.648","0.006","90","","91.294","0.013","90","","4180","2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C47 H65 N3 O -","- C47 H65 N3 O -","- C188 H260 N12 O4 -","4","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0715","0.0682","","","0.1856","0.1886","","","","","","1.047","","","","has coordinates,has disorder","220715","2020-10-21","18:00:00",""
"4127443","22.9103","0.0012","16.2048","0.0008","8.2525","0.0005","90","","92.611","0.002","90","","3060.6","0.3","99.97","","99.97","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 N3 -","- C36 H41 N3 -","- C144 H164 N12 -","4","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.044","0.0407","","","0.1093","0.112","","","","","","1.031","","","","has coordinates,has disorder","220716","2020-10-21","18:00:00",""
"4127444","18.13","0.009","18.914","0.007","13.58","0.005","90","","106.596","0.016","90","","4463","3","99.97","","99.97","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H55 F6 N3 O0.5 Sb -","- C50 H55 F6 N3 O0.5 Sb -","- C200 H220 F24 N12 O2 Sb4 -","4","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0436","0.0304","","","0.0652","0.0705","","","","","","1.024","","","","has coordinates,has disorder","220717","2020-10-21","18:00:00",""
"4127445","9.1359","0.0015","15.748","0.003","16.691","0.003","103.818","0.005","96.832","0.005","96.26","0.005","2291.7","0.7","100.02","","100.02","","","","","","","","","4","P -1","-P 1","2","","","","- C55 H63 N3 O3 -","- C55 H63 N3 O3 -","- C110 H126 N6 O6 -","2","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0493","0.0465","","","0.1296","0.1325","","","","","","1.045","","","","has coordinates","220718","2020-10-21","18:00:00",""
"4127446","9.8395","0.0006","18.5942","0.001","15.5356","0.0007","90","","108.171","0.002","90","","2700.6","0.3","99.97","","99.97","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 F6 N3 Sb -","- C27 H31 F6 N3 Sb -","- C108 H124 F24 N12 Sb4 -","4","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0301","0.0281","","","0.0639","0.0651","","","","","","1.072","","","","has coordinates,has disorder","220719","2020-10-21","18:00:00",""
"4127447","19.391","0.01","10.649","0.004","21.807","0.008","90","","107.848","0.015","90","","4286","3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H59 N3 O -","- C52 H59 N3 O -","- C208 H236 N12 O4 -","4","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0801","0.0555","","","0.1417","0.1572","","","","","","1.029","","","","has coordinates,has disorder","220720","2020-10-21","18:00:00",""
"4127448","11.7476","0.0008","16.1366","0.0013","20.0336","0.0017","86.506","0.003","74.026","0.003","81.296","0.003","3608.3","0.5","100.01","","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C69 H90 F12 N6 O3.5 Sb2 -","- C69 H90 F12 N6 O3.5 Sb2 -","- C138 H180 F24 N12 O7 Sb4 -","2","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0645","0.0579","","","0.1529","0.1582","","","","","","1.07","","","","has coordinates,has disorder","220721","2020-10-21","18:00:00",""
"4127449","14.307","0.001","16.3038","0.0009","17.6125","0.0012","90","","97.746","0.002","90","","4070.8","0.5","99.99","","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H40 F9 N3 Sb -","- C45 H40 F9 N3 Sb -","- C180 H160 F36 N12 Sb4 -","4","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0248","0.023","","","0.0604","0.062","","","","","","1.056","","","","has coordinates,has disorder","220722","2020-10-21","18:00:00",""
"4127450","18.9227","0.0005","15.8869","0.0005","23.304","0.0006","90","","90","","90","","7005.7","0.3","99.99","","99.99","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C41 H51 N3 -","- C41 H51 N3 -","- C328 H408 N24 -","8","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","1.54178","CuKα","","0.0379","0.035","","","0.088","0.0903","","","","","","1.026","","","","has coordinates,has disorder","220723","2020-10-21","18:00:00",""
"4127451","12.2157","0.0013","23.396","0.003","28.355","0.003","90","","90.759","0.004","90","","8103.1","1.6","200","","200","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C49 H60 N2 -","- C49 H60 N2 -","- C392 H480 N16 -","8","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0665","0.0512","","","0.1335","0.144","","","","","","1.03","","","","has coordinates","220724","2020-10-21","18:00:00",""
"4127452","17.1588","0.0007","13.8404","0.0006","22.8193","0.0012","90","","108.372","0.001","90","","5143","0.4","100.03","","100.03","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H67 F12 N3 O4 Sb2 -","- C45 H67 F12 N3 O4 Sb2 -","- C180 H268 F48 N12 O16 Sb8 -","4","0.5","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0236","0.0226","","","0.0601","0.0609","","","","","","1.071","","","","has coordinates,has disorder","220725","2020-10-21","18:00:00",""
"4127453","15.9721","0.0018","18.65","0.002","17.0396","0.0017","90","","100.96","0.003","90","","4983.2","0.9","100.04","","99.95","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H70 N6 O -","- C58 H70 N6 O -","- C232 H280 N24 O4 -","4","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0595","0.0469","","","0.1354","0.1472","","","","","","1.026","","","","has coordinates,has disorder","220726","2020-10-21","18:00:00",""
"4127454","10.0127","0.0002","13.6575","0.0002","30.8925","0.0005","90","","90","","90","","4224.5","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 I N3 O2 Rh -","- C42 H33 I N3 O2 Rh -","- C168 H132 I4 N12 O8 Rh4 -","4","1","","Tian, Miaomiao; Bai, Dachang; Zheng, Guangfan; Chang, Junbiao; Li, Xingwei","Rh(III)-Catalyzed Asymmetric Synthesis of Axially Chiral Biindolyls by Merging C-H Activation and Nucleophilic Cyclization.","Journal of the American Chemical Society","2019","141","24","9527","9532","10.1021/jacs.9b04711","","","0.71073","MoKα","","0.0827","0.0484","","","0.1536","0.1837","","","","","","0.646","","","","has coordinates","220727","2020-10-21","18:00:00",""
"4127455","9.417","0.0003","10.9955","0.0004","15.6189","0.0006","90","","102.744","0.001","90","","1577.41","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H30 N4 O2 S -","- C40 H30 N4 O2 S -","- C80 H60 N8 O4 S2 -","2","1","","Tian, Miaomiao; Bai, Dachang; Zheng, Guangfan; Chang, Junbiao; Li, Xingwei","Rh(III)-Catalyzed Asymmetric Synthesis of Axially Chiral Biindolyls by Merging C-H Activation and Nucleophilic Cyclization.","Journal of the American Chemical Society","2019","141","24","9527","9532","10.1021/jacs.9b04711","","","0.71073","MoKα","","0.045","0.0358","","","0.0857","0.0925","","","","","","1.021","","","","has coordinates","220728","2020-10-21","18:00:00",""
"4127456","9.8876","0.0005","13.0506","0.0007","18.7229","0.001","69.6938","0.0016","89.6815","0.0015","80.3472","0.0015","2230.1","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Heptabenzo[a,d,g,j,m,p,s][7]circulene","","- C58.5 H30.5 Cl7.5 -","- C58.5 H29 Cl7.5 -","- C117 H58 Cl15 -","2","1","","Pun, Sai Ho; Wang, Yujing; Chu, Ming; Chan, Chi Kit; Li, Yuke; Liu, Zhifeng; Miao, Qian","Synthesis, Structures, and Properties of Heptabenzo[7]circulene and Octabenzo[8]circulene.","Journal of the American Chemical Society","2019","141","24","9680","9686","10.1021/jacs.9b03910","","","0.71073","MoKα","","0.1234","0.0939","","","0.2571","0.2873","","","","","","1.032","","","","has coordinates,has disorder","220729","2020-10-21","18:00:00",""
"4127457","20.4908","0.0014","20.5122","0.0014","29.522","0.002","90","","96.355","0.004","90","","12332.2","1.5","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,11,18,27-Tetra(tert-butyl)octabenzo[a, d, g, j, m, p, s, v][8]circulene","","- C82 H64 S4 -","- C82 H64 S4 -","- C656 H512 S32 -","8","1","","Pun, Sai Ho; Wang, Yujing; Chu, Ming; Chan, Chi Kit; Li, Yuke; Liu, Zhifeng; Miao, Qian","Synthesis, Structures, and Properties of Heptabenzo[7]circulene and Octabenzo[8]circulene.","Journal of the American Chemical Society","2019","141","24","9680","9686","10.1021/jacs.9b03910","","","0.71073","MoKα","","0.1776","0.1505","","","0.3529","0.3719","","","","","","1.144","","","","has coordinates","220730","2020-10-21","18:00:00",""
"4127458","10.496","0.0005","13.6381","0.0008","15.8459","0.0006","90","","90","","90","","2268.27","0.19","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O4 S -","- C26 H33 N O4 S -","- C104 H132 N4 O16 S4 -","4","1","","Nie, Wei; Gong, Jing; Chen, Zhihao; Liu, Jiazhen; Tian, Di; Song, Hao; Liu, Xiao-Yu; Qin, Yong","Enantioselective Total Synthesis of (-)-Arcutinine.","Journal of the American Chemical Society","2019","141","24","9712","9718","10.1021/jacs.9b04847","","x-ray","0.71073","MoKα","","0.074","0.0467","","","0.0835","0.0927","","","","","","0.99","","","","has coordinates","220731","2020-10-21","18:00:00",""
"4127459","8.0004","0.0004","19.6229","0.0008","16.3447","0.0007","90","","90.793","0.004","90","","2565.7","0.2","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 N O6 S -","- C28 H35 N O6 S -","- C112 H140 N4 O24 S4 -","4","1","","Nie, Wei; Gong, Jing; Chen, Zhihao; Liu, Jiazhen; Tian, Di; Song, Hao; Liu, Xiao-Yu; Qin, Yong","Enantioselective Total Synthesis of (-)-Arcutinine.","Journal of the American Chemical Society","2019","141","24","9712","9718","10.1021/jacs.9b04847","","x-ray","0.71073","MoKα","","0.1113","0.0739","","","0.1542","0.1735","","","","","","1.045","","","","has coordinates","220732","2020-10-21","18:00:00",""
"4127460","13.3161","0.0012","13.3539","0.0005","15.3167","0.001","90","","110.123","0.009","90","","2557.4","0.3","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 N O6 S -","- C28 H35 N O6 S -","- C112 H140 N4 O24 S4 -","4","1","","Nie, Wei; Gong, Jing; Chen, Zhihao; Liu, Jiazhen; Tian, Di; Song, Hao; Liu, Xiao-Yu; Qin, Yong","Enantioselective Total Synthesis of (-)-Arcutinine.","Journal of the American Chemical Society","2019","141","24","9712","9718","10.1021/jacs.9b04847","","x-ray","0.71073","MoKα","","0.0903","0.0571","","","0.1382","0.1617","","","","","","1.032","","","","has coordinates","220733","2020-10-21","18:00:00",""
"4127461","13.3401","0.0007","13.3739","0.0006","15.3218","0.0008","90","","110.106","0.006","90","","2567","0.2","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 N O6 S -","- C28 H35 N O6 S -","- C112 H140 N4 O24 S4 -","4","1","","Nie, Wei; Gong, Jing; Chen, Zhihao; Liu, Jiazhen; Tian, Di; Song, Hao; Liu, Xiao-Yu; Qin, Yong","Enantioselective Total Synthesis of (-)-Arcutinine.","Journal of the American Chemical Society","2019","141","24","9712","9718","10.1021/jacs.9b04847","","x-ray","0.71073","MoKα","","0.0865","0.0542","","","0.1186","0.1371","","","","","","1.031","","","","has coordinates","220734","2020-10-21","18:00:00",""
"4127462","7.1517","0.0004","9.9719","0.0007","21.5377","0.0013","90","","98.474","0.006","90","","1519.21","0.17","292.27","0.1","292.27","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N2 -","- C17 H24 N2 -","- C68 H96 N8 -","4","1","","Zhang, Bo-Sheng; Li, Yuke; Zhang, Zhe; An, Yang; Wen, Yu-Hua; Gou, Xue-Ya; Quan, Si-Qi; Wang, Xin-Gang; Liang, Yong-Min","Synthesis of C4-Aminated Indoles via a Catellani and Retro-Diels-Alder Strategy.","Journal of the American Chemical Society","2019","141","24","9731","9738","10.1021/jacs.9b05009","","","0.71073","MoKα","","0.1142","0.0657","","","0.1517","0.1812","","","","","","1.076","","","","has coordinates","220735","2020-10-21","18:00:00",""
"4127463","9.9395","0.0007","11.314","0.0006","13.5788","0.0008","85.587","0.005","88.88","0.005","73.47","0.006","1459.56","0.16","292","0.1","292","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C64 H88 N8 O4 -","4","2","","Zhang, Bo-Sheng; Li, Yuke; Zhang, Zhe; An, Yang; Wen, Yu-Hua; Gou, Xue-Ya; Quan, Si-Qi; Wang, Xin-Gang; Liang, Yong-Min","Synthesis of C4-Aminated Indoles via a Catellani and Retro-Diels-Alder Strategy.","Journal of the American Chemical Society","2019","141","24","9731","9738","10.1021/jacs.9b05009","","","0.71073","MoKα","","0.1013","0.0595","","","0.1279","0.1574","","","","","","1.056","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4127464","10.2386","0.0001","23.8719","0.0002","11.734","0.0001","90","","90","","90","","2867.96","0.04","100.01","0.1","100.01","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C30 H36 Co F6 N2 O2 -","- C30 H36 Co F6 N2 O2 -","- C120 H144 Co4 F24 N8 O8 -","4","0.5","","Ye, Ke-Yin; McCallum, Terry; Lin, Song","Bimetallic Radical Redox-Relay Catalysis for the Isomerization of Epoxides to Allylic Alcohols.","Journal of the American Chemical Society","2019","141","24","9548","9554","10.1021/jacs.9b04993","","x-ray","0.71073","MoKα","","0.0198","0.0194","","","0.0511","0.0512","","","","","","1.047","","","","has coordinates","220737","2020-10-21","18:00:00",""
"4127465","11.9919","0.0011","13.763","0.0009","25.905","0.002","89.286","0.004","87.757","0.004","79.589","0.004","4201.8","0.6","100","2","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C83.75 H76 F6 Fe4 N15 O5.5 P -","- C83.75 H76 F6 Fe4 N15 O5.5 P -","- C167.5 H152 F12 Fe8 N30 O11 P2 -","2","1","","Reed, Christopher J.; Agapie, Theodor","A Terminal Fe<sup>III</sup>-Oxo in a Tetranuclear Cluster: Effects of Distal Metal Centers on Structure and Reactivity.","Journal of the American Chemical Society","2019","141","24","9479","9484","10.1021/jacs.9b03157","","","1.54178","CuKα","","0.082","0.0685","","","0.1738","0.1844","","","","","","1.029","","","","has coordinates,has disorder","220738","2020-10-21","18:00:00",""
"4127466","19.122","0.009","18.204","0.005","24.698","0.006","90","","90","","90","","8597","5","100","2","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C91 H99 F3 Fe4 N15 O11 S -","- C91 H99 F3 Fe4 N15 O11 S -","- C364 H396 F12 Fe16 N60 O44 S4 -","4","1","","Reed, Christopher J.; Agapie, Theodor","A Terminal Fe<sup>III</sup>-Oxo in a Tetranuclear Cluster: Effects of Distal Metal Centers on Structure and Reactivity.","Journal of the American Chemical Society","2019","141","24","9479","9484","10.1021/jacs.9b03157","","","1.54178","CuKα","","0.0942","0.073","","","0.1346","0.144","","","","","","1.061","","","","has coordinates","220738","2020-10-21","18:00:00",""
"4127467","14.1115","0.0011","15.0509","0.0011","21.1556","0.0016","70.794","0.003","86.911","0.003","70.57","0.003","3993.7","0.5","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H88 Fe4 N15 O5 -","- C90 H88 Fe4 N15 O5 -","- C180 H176 Fe8 N30 O10 -","2","1","","Reed, Christopher J.; Agapie, Theodor","A Terminal Fe<sup>III</sup>-Oxo in a Tetranuclear Cluster: Effects of Distal Metal Centers on Structure and Reactivity.","Journal of the American Chemical Society","2019","141","24","9479","9484","10.1021/jacs.9b03157","","","0.71073","MoKα","","0.0606","0.0412","","","0.098","0.1079","","","","","","1.019","","","","has coordinates","220738","2020-10-21","18:00:00",""
"4127468","12.3162","0.0013","15.5743","0.0015","21.6599","0.0015","102.37","0.006","94.445","0.004","102.897","0.009","3921.5","0.7","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H87 Fe4 N15 O5 -","- C90 H87 Fe4 N15 O5 -","- C180 H174 Fe8 N30 O10 -","2","1","","Reed, Christopher J.; Agapie, Theodor","A Terminal Fe<sup>III</sup>-Oxo in a Tetranuclear Cluster: Effects of Distal Metal Centers on Structure and Reactivity.","Journal of the American Chemical Society","2019","141","24","9479","9484","10.1021/jacs.9b03157","","","1.54178","CuKα","","0.0509","0.04","","","0.0954","0.1018","","","","","","1.012","","","","has coordinates,has disorder","220738","2020-10-21","18:00:00",""
"4127469","12.15","0.002","14.975","0.005","23.386","0.006","95.271","0.014","90.124","0.012","104.174","0.019","4106.7","1.9","100","2","99.98","","","","","","","","","7","P -1","-P 1","2","","","","- C80 H76 F6 Fe4 N15 O11 S2 -","- C80 H76 F6 Fe4 N15 O11 S2 -","- C160 H152 F12 Fe8 N30 O22 S4 -","2","1","","Reed, Christopher J.; Agapie, Theodor","A Terminal Fe<sup>III</sup>-Oxo in a Tetranuclear Cluster: Effects of Distal Metal Centers on Structure and Reactivity.","Journal of the American Chemical Society","2019","141","24","9479","9484","10.1021/jacs.9b03157","","","1.54178","CuKα","","0.0422","0.0375","","","0.0941","0.0963","","","","","","1.057","","","","has coordinates,has disorder","220738","2020-10-21","18:00:00",""
"4127470","9.33848","0.00014","7.41455","0.00012","9.7064","0.00015","90","","91.6489","0.0014","90","","671.799","0.018","150","0.1","150","0.1","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","(S)-11a-hydroxy-7-methoxy-1,2,3,10,11,11a-hexahydro-5H- dibenzo[a,d][7]annulen-5-one","","- C16 H18 O3 -","- C16 H18 O3 -","- C32 H36 O6 -","2","1","","Mato, Raquel; Manzano, Rubén; Reyes, Efraim; Carrillo, Luisa; Uria, Uxue; Vicario, Jose L.","Catalytic Enantioselective Transannular Morita-Baylis-Hillman Reaction.","Journal of the American Chemical Society","2019","141","24","9495","9499","10.1021/jacs.9b03679","","","1.54184","CuKα","","0.0246","0.0244","","","0.0643","0.0644","","","","","","1.022","","","","has coordinates","220739","2020-10-21","18:00:00",""
"4127471","5.36038","0.0001","7.31242","0.0001","12.53807","0.00018","90","","90.2082","0.0015","90","","491.456","0.013","150","0.1","150","0.1","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","(R,Z)-7-methylcyclodec-2-ene-1,6-dione","","- C11 H16 O2 -","- C11 H16 O2 -","- C22 H32 O4 -","2","1","","Mato, Raquel; Manzano, Rubén; Reyes, Efraim; Carrillo, Luisa; Uria, Uxue; Vicario, Jose L.","Catalytic Enantioselective Transannular Morita-Baylis-Hillman Reaction.","Journal of the American Chemical Society","2019","141","24","9495","9499","10.1021/jacs.9b03679","","","1.54184","CuKα","","0.0312","0.0307","","","0.0796","0.0801","","","","","","1.056","","","","has coordinates","220740","2020-10-21","18:00:00",""
"4127472","7.12324","0.00007","8.00568","0.00007","17.09534","0.00015","90","","90","","90","","974.885","0.015","150","0.1","150","0.1","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","(8S,8aS)-8a-hydroxy-8-methyl-2,5,6,7,8,8a-hexahydroazulen-4(1H)-one","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","1","","Mato, Raquel; Manzano, Rubén; Reyes, Efraim; Carrillo, Luisa; Uria, Uxue; Vicario, Jose L.","Catalytic Enantioselective Transannular Morita-Baylis-Hillman Reaction.","Journal of the American Chemical Society","2019","141","24","9495","9499","10.1021/jacs.9b03679","","","1.54184","CuKα","","0.0285","0.0279","","","0.0732","0.0737","","","","","","1.026","","","","has coordinates","220741","2020-10-21","18:00:00",""
"4127473","14.26268","0.00013","17.70163","0.00018","21.97679","0.00018","90","","91.5652","0.0008","90","","5546.47","0.09","140.01","0.1","140.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73 H162 K2 O26 Si6 U2 -","- C73 H162 K2 O26 Si6 U2 -","- C146 H324 K4 O52 Si12 U4 -","2","0.5","","Falcone, Marta; Scopelliti, Rosario; Mazzanti, Marinella","CO<sub>2</sub> and CO/H<sub>2</sub> Conversion to Methoxide by a Uranium(IV) Hydride.","Journal of the American Chemical Society","2019","141","24","9570","9577","10.1021/jacs.9b02235","","x-ray","1.54184","CuKα","","0.0556","0.0532","","","0.143","0.146","","","","","","1.038","","","","has coordinates,has disorder","220742","2020-10-21","18:00:00",""
"4127474","13.5015","0.0003","18.6524","0.0005","45.9564","0.0012","90","","90","","90","","11573.4","0.5","140","0.1","140","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C75 H163 K2 O31 Si6 U2 -","- C75 H163 K2 O31 Si6 U2 -","- C300 H652 K8 O124 Si24 U8 -","4","1","","Falcone, Marta; Scopelliti, Rosario; Mazzanti, Marinella","CO<sub>2</sub> and CO/H<sub>2</sub> Conversion to Methoxide by a Uranium(IV) Hydride.","Journal of the American Chemical Society","2019","141","24","9570","9577","10.1021/jacs.9b02235","","x-ray","1.54184","CuKα","","0.0873","0.0582","","","0.1267","0.1432","","","","","","0.964","","","","has coordinates,has disorder","220743","2020-10-21","18:00:00",""
"4127475","23.8521","0.0007","13.9941","0.0004","33.379","0.0008","90","","94.406","0.002","90","","11108.6","0.5","139.99","0.1","139.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H170 K2 N2 O25 Si6 U2 -","- C76 H170 K2 N2 O25 Si6 U2 -","- C304 H680 K8 N8 O100 Si24 U8 -","4","1","","Falcone, Marta; Scopelliti, Rosario; Mazzanti, Marinella","CO<sub>2</sub> and CO/H<sub>2</sub> Conversion to Methoxide by a Uranium(IV) Hydride.","Journal of the American Chemical Society","2019","141","24","9570","9577","10.1021/jacs.9b02235","","x-ray","1.54184","CuKα","","0.1268","0.0976","","","0.2384","0.2647","","","","","","1.08","","","","has coordinates,has disorder","220744","2020-10-21","18:00:00",""
"4127476","14.203","0.0003","17.5377","0.0004","25.3851","0.0004","78.8955","0.0018","88.5451","0.0015","68.93","0.002","5783.3","0.2","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C79 H172 K2 O25 Si6 U2 -","- C79 H172 K2 O25 Si6 U2 -","- C158 H344 K4 O50 Si12 U4 -","2","1","","Falcone, Marta; Scopelliti, Rosario; Mazzanti, Marinella","CO<sub>2</sub> and CO/H<sub>2</sub> Conversion to Methoxide by a Uranium(IV) Hydride.","Journal of the American Chemical Society","2019","141","24","9570","9577","10.1021/jacs.9b02235","","x-ray","1.54184","CuKα","","0.0465","0.0435","","","0.129","0.1311","","","","","","1.048","","","","has coordinates,has disorder","220745","2020-10-21","18:00:00",""
"4127477","13.9751","0.0002","18.1064","0.0003","22.0854","0.0005","90","","93.337","0.002","90","","5578.99","0.18","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73 H166 K2 O26 Si6 U2 -","- C73 H166 K2 O26 Si6 U2 -","- C146 H332 K4 O52 Si12 U4 -","2","1","","Falcone, Marta; Scopelliti, Rosario; Mazzanti, Marinella","CO<sub>2</sub> and CO/H<sub>2</sub> Conversion to Methoxide by a Uranium(IV) Hydride.","Journal of the American Chemical Society","2019","141","24","9570","9577","10.1021/jacs.9b02235","","x-ray","1.54184","CuKα","","0.0477","0.0454","","","0.1192","0.1221","","","","","","1.042","","","","has coordinates,has disorder","220746","2020-10-21","18:00:00",""
"4127478","16.496","0.003","16.181","0.003","34.167","0.005","90","","92.685","0.002","90","","9110","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H27 N4 O13 Ti3.5 -","- C50 H27 N4 O13 Ti3.5 -","- C200 H108 N16 O52 Ti14 -","4","1","","Lan, Guangxu; Ni, Kaiyuan; Veroneau, Samuel S.; Feng, Xuanyu; Nash, Geoffrey T.; Luo, Taokun; Xu, Ziwan; Lin, Wenbin","Titanium-Based Nanoscale Metal-Organic Framework for Type I Photodynamic Therapy.","Journal of the American Chemical Society","2019","141","10","4204","4208","10.1021/jacs.8b13804","","x-ray","0.41328","synchrotron","","0.1532","0.1439","","","0.3692","0.3767","","","","","","1.062","","","","has coordinates","220747","2020-10-21","18:00:00",""
"4127479","7.5724","0.0004","11.7573","0.0006","29.8975","0.0014","90","","91.0303","0.0016","90","","2661.4","0.2","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H12.5 B10 F3.5 N O -","- C4 H12.5 B10 F3.5 N O -","- C32 H100 B80 F28 N8 O8 -","8","1","","Lyu, Hairong; Zhang, Jie; Yang, Jingting; Quan, Yangjian; Xie, Zuowei","Catalytic Regioselective Cage B(8)-H Arylation of o-Carboranes via ""Cage-Walking"" Strategy.","Journal of the American Chemical Society","2019","141","10","4219","4224","10.1021/jacs.9b00302","","","0.71073","MoKα","","0.071","0.0566","","","0.1541","0.1655","","","","","","1.04","","","","has coordinates","220748","2020-10-21","18:00:00",""
"4127480","7.259","0.002","13.814","0.004","15.014","0.005","81.928","0.008","80.42","0.009","83.744","0.009","1464.2","0.8","172","2","172","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H29 B10 F3 N4 O4 Pd S -","- C21 H29 B10 F3 N4 O4 Pd S -","- C42 H58 B20 F6 N8 O8 Pd2 S2 -","2","1","","Lyu, Hairong; Zhang, Jie; Yang, Jingting; Quan, Yangjian; Xie, Zuowei","Catalytic Regioselective Cage B(8)-H Arylation of o-Carboranes via ""Cage-Walking"" Strategy.","Journal of the American Chemical Society","2019","141","10","4219","4224","10.1021/jacs.9b00302","","","0.71073","MoKα","","0.0873","0.0702","","","0.1625","0.1781","","","","","","1.108","","","","has coordinates","220749","2020-10-21","18:00:00",""
"4127481","18.0714","0.0015","18.635","0.0015","21.9499","0.0019","111.875","0.002","92.237","0.003","118.324","0.002","5823.9","0.9","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 B10 Cl3 N O -","- C22 H24 B10 Cl3 N O -","- C176 H192 B80 Cl24 N8 O8 -","8","4","","Lyu, Hairong; Zhang, Jie; Yang, Jingting; Quan, Yangjian; Xie, Zuowei","Catalytic Regioselective Cage B(8)-H Arylation of o-Carboranes via ""Cage-Walking"" Strategy.","Journal of the American Chemical Society","2019","141","10","4219","4224","10.1021/jacs.9b00302","","","0.71073","MoKα","","0.1712","0.0861","","","0.2824","0.3306","","","","","","1.073","","","","has coordinates,has disorder","220750","2020-10-21","18:00:00",""
"4127482","10.2815","0.0006","12.6911","0.0007","13.9103","0.0008","92.039","0.003","109.668","0.003","104.582","0.003","1639.64","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H18 B10 Cl N O -","- C10 H18 B10 Cl N O -","- C40 H72 B40 Cl4 N4 O4 -","4","2","","Lyu, Hairong; Zhang, Jie; Yang, Jingting; Quan, Yangjian; Xie, Zuowei","Catalytic Regioselective Cage B(8)-H Arylation of o-Carboranes via ""Cage-Walking"" Strategy.","Journal of the American Chemical Society","2019","141","10","4219","4224","10.1021/jacs.9b00302","","","0.71073","MoKα","","0.0658","0.0508","","","0.1338","0.1458","","","","","","1.048","","","","has coordinates","220751","2020-10-21","18:00:00",""
"4127483","13.1958","0.0007","13.599","0.0007","17.6921","0.001","106.695","0.0015","90.9955","0.0017","92.0205","0.0016","3037.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H23 B10 N O -","- C12 H23 B10 N O -","- C72 H138 B60 N6 O6 -","6","3","","Lyu, Hairong; Zhang, Jie; Yang, Jingting; Quan, Yangjian; Xie, Zuowei","Catalytic Regioselective Cage B(8)-H Arylation of o-Carboranes via ""Cage-Walking"" Strategy.","Journal of the American Chemical Society","2019","141","10","4219","4224","10.1021/jacs.9b00302","","","0.71073","MoKα","","0.1202","0.0832","","","0.2171","0.2401","","","","","","1.058","","","","has coordinates","220752","2020-10-21","18:00:00",""
"4127484","17.735","0.01","12.563","0.006","13.175","0.008","90","","131.204","0.009","90","","2209","2","113","","113","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C18 H28 Cl N2 P2 V -","- C18 H28 Cl N2 P2 V -","- C72 H112 Cl4 N8 P8 V4 -","4","1","","Kawakita, Kento; Beaumier, Evan P.; Kakiuchi, Yuya; Tsurugi, Hayato; Tonks, Ian A.; Mashima, Kazushi","Bis(imido)vanadium(V)-Catalyzed [2+2+1] Coupling of Alkynes and Azobenzenes Giving Multisubstituted Pyrroles.","Journal of the American Chemical Society","2019","141","10","4194","4198","10.1021/jacs.8b13390","","","0.71075","MoKα","","0.0507","0.0346","","","0.0548","0.0592","","","","","","1.054","","","","has coordinates","220753","2020-10-21","18:00:00",""
"4127485","5.1733","0.0007","21.213","0.003","17.838","0.002","90","","97.186","0.003","90","","1942.2","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br N O2 -","- C22 H24 Br N O2 -","- C88 H96 Br4 N4 O8 -","4","2","","Cao, Min; Yesilcimen, Ahmet; Wasa, Masayuki","Enantioselective Conia-Ene-Type Cyclizations of Alkynyl Ketones through Cooperative Action of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>, N-Alkylamine and a Zn-Based Catalyst.","Journal of the American Chemical Society","2019","141","10","4199","4203","10.1021/jacs.8b13757","","","1.54178","CuKα","","0.0221","0.022","","","0.0569","0.057","","","","","","1.08","","","","has coordinates","220754","2020-10-21","18:00:00",""
"4127486","12.42","0.0006","12.666","0.0006","14.5678","0.0008","77.775","0.002","89.028","0.002","86.844","0.002","2236.3","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H52.73 Au B Cl2 F4 N4 O7.37 -","- C38 H52 Au B Cl2 F4 N4 O7.372 -","- C76 H104 Au2 B2 Cl4 F8 N8 O14.744 -","2","1","","Kim, Suhong; Toste, F. Dean","Mechanism of Photoredox-Initiated C-C and C-N Bond Formation by Arylation of IPrAu(I)-CF<sub>3</sub> and IPrAu(I)-Succinimide.","Journal of the American Chemical Society","2019","141","10","4308","4315","10.1021/jacs.8b11273","","","0.71073","MoKα","","0.0308","0.026","","","0.0552","0.0566","","","","","","1.053","","","","has coordinates,has disorder","220755","2020-10-21","18:00:00",""
"4127487","10.0952","0.0002","13.0588","0.0003","31.2002","0.0008","90","","90","","90","","4113.16","0.16","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Au B Cl2 F7 N3 O5 -","- C35 H48 Au B Cl2 F7 N3 O5 -","- C140 H192 Au4 B4 Cl8 F28 N12 O20 -","4","1","","Kim, Suhong; Toste, F. Dean","Mechanism of Photoredox-Initiated C-C and C-N Bond Formation by Arylation of IPrAu(I)-CF<sub>3</sub> and IPrAu(I)-Succinimide.","Journal of the American Chemical Society","2019","141","10","4308","4315","10.1021/jacs.8b11273","","","0.71073","MoKα","","0.0245","0.0228","","","0.0484","0.0488","","","","","","1.03","","","","has coordinates","220756","2020-10-21","18:00:00",""
"4127488","7.622","0.0005","6.488","0.0003","9.5948","0.0007","90","","112.474","0.008","90","","438.44","0.05","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H9 Cl3 F Mn N -","- C4 H9 Cl3 F Mn N -","- C8 H18 Cl6 F2 Mn2 N2 -","2","1","","Ai, Yong; Chen, Xiao-Gang; Shi, Ping-Ping; Tang, Yuan-Yuan; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","Fluorine Substitution Induced High T<sub>c</sub> of Enantiomeric Perovskite Ferroelectrics: ( R) - and ( S) -3-(Fluoropyrrolidinium)MnCl<sub>3</sub>.","Journal of the American Chemical Society","2019","141","10","4474","4479","10.1021/jacs.9b00886","","","0.71073","MoKα","","0.0457","0.044","","","0.1317","0.1344","","","","","","1.158","","","","has coordinates","220757","2020-10-21","18:00:00",""
"4127489","7.6244","0.0005","6.493","0.0003","9.591","0.0007","90","","112.397","0.008","90","","438.99","0.05","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H9 Cl3 F Mn N -","- C4 H9 Cl3 F Mn N -","- C8 H18 Cl6 F2 Mn2 N2 -","2","1","","Ai, Yong; Chen, Xiao-Gang; Shi, Ping-Ping; Tang, Yuan-Yuan; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","Fluorine Substitution Induced High T<sub>c</sub> of Enantiomeric Perovskite Ferroelectrics: ( R) - and ( S) -3-(Fluoropyrrolidinium)MnCl<sub>3</sub>.","Journal of the American Chemical Society","2019","141","10","4474","4479","10.1021/jacs.9b00886","","","0.71073","MoKα","","0.0463","0.0388","","","0.1103","0.1166","","","","","","0.99","","","","has coordinates","220758","2020-10-21","18:00:00",""
"4127490","7.6808","0.0006","17.7492","0.0014","6.4998","0.0005","90","","90","","90","","886.11","0.12","363","2","363","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C4 H9 Cl3 F Mn N -","- C4 H9 Cl3 F Mn N -","- C16 H36 Cl12 F4 Mn4 N4 -","4","0.5","","Ai, Yong; Chen, Xiao-Gang; Shi, Ping-Ping; Tang, Yuan-Yuan; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","Fluorine Substitution Induced High T<sub>c</sub> of Enantiomeric Perovskite Ferroelectrics: ( R) - and ( S) -3-(Fluoropyrrolidinium)MnCl<sub>3</sub>.","Journal of the American Chemical Society","2019","141","10","4474","4479","10.1021/jacs.9b00886","","","0.71073","MoKα","","0.0548","0.0511","","","0.1523","0.1572","","","","","","1.054","","","","has coordinates","220759","2020-10-21","18:00:00",""
"4127491","7.6727","0.0005","17.7337","0.0011","6.5009","0.0003","90","","90","","90","","884.55","0.09","363","2","363","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C4 H9 Cl3 F Mn N -","- C4 H9 Cl3 F Mn N -","- C16 H36 Cl12 F4 Mn4 N4 -","4","0.5","","Ai, Yong; Chen, Xiao-Gang; Shi, Ping-Ping; Tang, Yuan-Yuan; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","Fluorine Substitution Induced High T<sub>c</sub> of Enantiomeric Perovskite Ferroelectrics: ( R) - and ( S) -3-(Fluoropyrrolidinium)MnCl<sub>3</sub>.","Journal of the American Chemical Society","2019","141","10","4474","4479","10.1021/jacs.9b00886","","","0.71073","MoKα","","0.0563","0.0453","","","0.133","0.1418","","","","","","1.102","","","","has coordinates","220760","2020-10-21","18:00:00",""
"4127492","9.138","0.0002","18.3287","0.0004","16.6855","0.0004","90","","99.23","0.003","90","","2758.43","0.11","180","0.2","180","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 Cl Cr P -","- C31 H34 Cl Cr P -","- C124 H136 Cl4 Cr4 P4 -","4","1","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0288","0.0261","","","0.0706","0.0725","","","","","","1.023","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127493","10.8191","0.0003","16.785","0.0003","16.1306","0.0004","90","","99.642","0.003","90","","2887.91","0.12","179.99","0.14","179.99","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H46 Cl Cr P -","- C31 H46 Cl Cr P -","- C124 H184 Cl4 Cr4 P4 -","4","1","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0765","0.0656","","","0.1782","0.1855","","","","","","1.044","","","","has coordinates,has disorder","220762","2020-10-21","18:00:00",""
"4127494","8.4943","0.0002","17.3964","0.0005","17.6923","0.0005","74.282","0.002","84.815","0.002","86.464","0.002","2504.45","0.12","180","0.1","180","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H38 Cl Cr P -","- C25 H38 Cl Cr P -","- C100 H152 Cl4 Cr4 P4 -","4","2","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.045","0.0348","","","0.0899","0.0946","","","","","","1.048","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127495","17.3686","0.001","23.3588","0.0014","26.4874","0.0015","90","","90","","90","","10746.2","1.1","179.99","0.1","179.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C93 H102 Cr3 N8 P3 -","- C93 H102 Cr3 N8 P3 -","- C372 H408 Cr12 N32 P12 -","4","1","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0726","0.0469","","","0.0976","0.1058","","","","","","1.041","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127496","15.2595","0.0004","16.1681","0.0004","26.5072","0.0006","90","","90","","90","","6539.8","0.3","180","0.1","180","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H92 Cr2 N6 P2 -","- C62 H92 Cr2 N6 P2 -","- C248 H368 Cr8 N24 P8 -","4","1","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0668","0.0581","","","0.1543","0.1632","","","","","","1.09","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127497","20.6373","0.0003","17.5541","0.0002","28.8861","0.0003","90","","92.318","0.001","90","","10456","0.2","180","0.1","180","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C49 H82 Cr K N6 O6 P -","- C49 H82 Cr K N6 O6 P -","- C392 H656 Cr8 K8 N48 O48 P8 -","8","1","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0359","0.0321","","","0.0846","0.0868","","","","","","1.036","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127498","13.175","0.0002","14.4943","0.0002","15.6898","0.0002","115.098","0.001","97.038","0.001","94.806","0.001","2661.94","0.07","179.99","0.1","179.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C49 H82 Cr N6 O6 P Rb -","- C49 H82 Cr N6 O6 P Rb -","- C98 H164 Cr2 N12 O12 P2 Rb2 -","2","1","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0329","0.027","","","0.0693","0.0711","","","","","","1.048","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127499","25.3634","0.0004","18.6014","0.0003","24.164","0.0004","90","","93.673","0.002","90","","11377","0.3","179.99","0.1","179.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H82 Cr Cs N6 O6 P -","- C49 H82 Cr Cs N6 O6 P -","- C392 H656 Cr8 Cs8 N48 O48 P8 -","8","2","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0334","0.0303","","","0.0758","0.0783","","","","","","1.028","","","","has coordinates,has disorder","220762","2020-10-21","18:00:00",""
"4127500","10.8222","0.0004","11.3035","0.0004","16.5127","0.0003","90.867","0.002","101.725","0.003","103.42","0.003","1919.7","0.11","180","0.1","180","0.1","","","","","","","","6","P 1","P 1","1","","","","- C37 H64 Cr N2 P Si2 -","- C37 H64 Cr N2 P Si2 -","- C74 H128 Cr2 N4 P2 Si4 -","2","2","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0692","0.0659","","","0.1819","0.1846","","","","","","1.052","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127501","7.7553","0.0009","8.2119","0.001","8.3575","0.001","77.75","0.005","69.61","0.004","66.847","0.005","456.97","0.1","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C20 H24 O8 -","2","1","","Fan, Jie; Liao, Ge; Kindinger, Florian; Ludwig-Radtke, Lena; Yin, Wen-Bing; Li, Shu-Ming","Peniphenone and Penilactone Formation in Penicillium crustosum via 1,4-Michael Additions of ortho-Quinone Methide from Hydroxyclavatol to γ-Butyrolactones from Crustosic Acid.","Journal of the American Chemical Society","2019","141","10","4225","4229","10.1021/jacs.9b00110","","","1.54178","CuKα","","0.0542","0.0535","","","0.1801","0.1834","","","","","","1.589","","","","has coordinates","220763","2020-10-21","18:00:00",""
"4127502","13.714","0.0005","21.0582","0.0007","27.161","0.001","90","","90","","90","","7843.9","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C90 H120 O12 -","- C90 H120 O12 -","- C360 H480 O48 -","4","1","","Jia, Fei; Hupatz, Henrik; Yang, Liu-Pan; Schröder, Hendrik V; Li, Dong-Hao; Xin, Shan; Lentz, Dieter; Witte, Felix; Xie, Xiaojiang; Paulus, Beate; Schalley, Christoph A.; Jiang, Wei","Naphthocage: A Flexible yet Extremely Strong Binder for Singly Charged Organic Cations.","Journal of the American Chemical Society","2019","141","10","4468","4473","10.1021/jacs.9b00445","","","1.54178","CuKα","","0.2011","0.1852","","","0.3843","0.3918","","","","","","1.246","","","","has coordinates","220764","2020-10-21","18:00:00",""
"4127503","15.076","0.0004","15.076","0.0004","6.6648","0.0002","90","","90","","120","","1311.87","0.06","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- C12 H33 Cd2 Cl7 F3 N3 -","- C12 H33 Cd2 Cl7 F3 N3 -","- C24 H66 Cd4 Cl14 F6 N6 -","2","0.333333","","Wang, Zhong-Xia; Zhang, Yi; Tang, Yuan-Yuan; Li, Peng-Fei; Xiong, Ren-Gen","Fluoridation Achieved Antiperovskite Molecular Ferroelectric in [(CH<sub>3</sub>)<sub>2</sub>(F-CH<sub>2</sub>CH<sub>2</sub>)NH]<sub>3</sub>(CdCl<sub>3</sub>)(CdCl<sub>4</sub>).","Journal of the American Chemical Society","2019","141","10","4372","4378","10.1021/jacs.8b13109","","","0.71073","MoKα","","0.0324","0.0266","","","0.0454","0.047","","","","","","1.016","","","","has coordinates","220765","2020-10-21","18:00:00",""
"4127504","15.2801","0.0003","15.2801","0.0003","6.7272","0.0002","90","","90","","120","","1360.25","0.06","373","2","373","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C12 H33 Cd2 Cl7 F3 N3 -","- C12 H33 Cd2 Cl7 F3 N3 -","- C24 H66 Cd4 Cl14 F6 N6 -","2","0.166667","","Wang, Zhong-Xia; Zhang, Yi; Tang, Yuan-Yuan; Li, Peng-Fei; Xiong, Ren-Gen","Fluoridation Achieved Antiperovskite Molecular Ferroelectric in [(CH<sub>3</sub>)<sub>2</sub>(F-CH<sub>2</sub>CH<sub>2</sub>)NH]<sub>3</sub>(CdCl<sub>3</sub>)(CdCl<sub>4</sub>).","Journal of the American Chemical Society","2019","141","10","4372","4378","10.1021/jacs.8b13109","","","0.71073","MoKα","","0.1427","0.139","","","0.4192","0.4201","","","","","","1.146","","","","has coordinates","220766","2020-10-21","18:00:00",""
"4127505","15.2403","0.0005","15.2403","0.0005","6.7047","0.0003","90","","90","","120","","1348.64","0.09","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C12 H33 Cd2 Cl7 F3 N3 -","- C12 H33 Cd2 Cl7 F3 N3 -","- C24 H66 Cd4 Cl14 F6 N6 -","2","0.333333","","Wang, Zhong-Xia; Zhang, Yi; Tang, Yuan-Yuan; Li, Peng-Fei; Xiong, Ren-Gen","Fluoridation Achieved Antiperovskite Molecular Ferroelectric in [(CH<sub>3</sub>)<sub>2</sub>(F-CH<sub>2</sub>CH<sub>2</sub>)NH]<sub>3</sub>(CdCl<sub>3</sub>)(CdCl<sub>4</sub>).","Journal of the American Chemical Society","2019","141","10","4372","4378","10.1021/jacs.8b13109","","","0.71073","MoKα","","0.0373","0.0295","","","0.0754","0.0794","","","","","","1.068","","","","has coordinates","220767","2020-10-21","18:00:00",""
"4127506","6.7388","0.0003","15.1099","0.0007","10.4269","0.0007","90","","118.749","0.004","90","","930.82","0.09","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cd Cl3 N -","- C4 H12 Cd Cl3 N -","- C16 H48 Cd4 Cl12 N4 -","4","1","","Wang, Zhong-Xia; Zhang, Yi; Tang, Yuan-Yuan; Li, Peng-Fei; Xiong, Ren-Gen","Fluoridation Achieved Antiperovskite Molecular Ferroelectric in [(CH<sub>3</sub>)<sub>2</sub>(F-CH<sub>2</sub>CH<sub>2</sub>)NH]<sub>3</sub>(CdCl<sub>3</sub>)(CdCl<sub>4</sub>).","Journal of the American Chemical Society","2019","141","10","4372","4378","10.1021/jacs.8b13109","","","0.71073","MoKα","","0.0852","0.0683","","","0.1604","0.1678","","","","","","1.018","","","","has coordinates","220768","2020-10-21","18:00:00",""
"4127507","14.838","0.005","16.122","0.005","20.858","0.006","102.267","0.004","91.596","0.004","108.174","0.006","4609","2","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C150 H170 Cu6 F24 N6 P16 -","- C150 H170 Cu6 F24 N6 P16 -","- C150 H170 Cu6 F24 N6 P16 -","1","0.5","","Nakajima, Takayuki; Kamiryo, Yoshia; Kishimoto, Masayo; Imai, Kaho; Nakamae, Kanako; Ura, Yasuyuki; Tanase, Tomoaki","Synergistic Cu<sub>2</sub> Catalysts for Formic Acid Dehydrogenation.","Journal of the American Chemical Society","2019","141","22","8732","8736","10.1021/jacs.9b03532","","","0.71075","MoKα","","0.1079","0.0699","","","0.1788","0.2283","","","","","","1.093","","","","has coordinates","220769","2020-10-21","18:00:00",""
"4127508","20.1652","0.0001","22.4654","0.0002","24.3771","0.0001","70.24","0.003","69.104","0.003","86.578","0.004","9686.2","0.3","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C162 H182 Cu6 F24 N8 P16 -","- C162 H182 Cu6 F24 N8 P16 -","- C324 H364 Cu12 F48 N16 P32 -","2","1","","Nakajima, Takayuki; Kamiryo, Yoshia; Kishimoto, Masayo; Imai, Kaho; Nakamae, Kanako; Ura, Yasuyuki; Tanase, Tomoaki","Synergistic Cu<sub>2</sub> Catalysts for Formic Acid Dehydrogenation.","Journal of the American Chemical Society","2019","141","22","8732","8736","10.1021/jacs.9b03532","","","0.71075","MoKα","","0.0561","0.0475","","","0.1278","0.1387","","","","","","1.08","","","","has coordinates","220769","2020-10-21","18:00:00",""
"4127509","15.87","0.003","16.613","0.003","21.508","0.004","90","","102.508","0.002","90","","5536","1.8","153","","153","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C49 H52 Cu2 F12 N4 P6 -","- C49 H52 Cu2 F12 N4 P6 -","- C196 H208 Cu8 F48 N16 P24 -","4","1","","Nakajima, Takayuki; Kamiryo, Yoshia; Kishimoto, Masayo; Imai, Kaho; Nakamae, Kanako; Ura, Yasuyuki; Tanase, Tomoaki","Synergistic Cu<sub>2</sub> Catalysts for Formic Acid Dehydrogenation.","Journal of the American Chemical Society","2019","141","22","8732","8736","10.1021/jacs.9b03532","","","0.71075","MoKα","","0.0282","0.0257","","","0.0619","0.0631","","","","","","1.008","","","","has coordinates","220769","2020-10-21","18:00:00",""
"4127510","14.6328","0.0004","14.6409","0.0003","18.168","0.0003","94.984","0.002","112.238","0.002","90.794","0.002","3584.52","0.15","183.05","0.1","183.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H94.6 Co4 N8 O37.3 -","- C52 H52 Co4 N8 O37.3 -","- C104 H104 Co8 N16 O74.6 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0716","0.0529","","","0.133","0.1447","","","","","","1.046","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127511","23.9436","0.0004","23.9436","0.0004","23.9436","0.0004","90","","90","","90","","13726.8","0.4","183.05","0.1","183.05","0.1","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C44 H40 Cl4 Co4 N8 O10 -","- C44 H40 Cl4 Co4 N8 O10 -","- C528 H480 Cl48 Co48 N96 O120 -","12","0.25","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0297","0.0281","","","0.0687","0.0697","","","","","","1.058","","","","has coordinates","220770","2020-10-21","18:00:00",""
"4127512","12.6957","0.0004","14.2283","0.0005","15.5843","0.0004","90.19","0.002","105.029","0.003","92.381","0.003","2716.19","0.15","180","2","180","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H53 Co4 N9 O21 -","- C50 H51 Co4 N9 O21 -","- C100 H102 Co8 N18 O42 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0491","0.0361","","","0.0843","0.0911","","","","","","1.027","","","","has coordinates","220770","2020-10-21","18:00:00",""
"4127513","12.7299","0.0004","14.2087","0.0005","15.7489","0.0008","89.78","0.003","73.273","0.004","86.642","0.003","2723.1","0.2","183.05","0.1","183.05","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C50 H51 B Co4 F4 N8 O17 -","- C50 H49 B Co4 F4 N8 O16 -","- C100 H98 B2 Co8 F8 N16 O32 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","","0.71073","MoKα","","0.0601","0.0441","","","0.1022","0.1111","","","","","","1.029","","","","has coordinates","220770","2020-10-21","18:00:00",""
"4127514","12.9163","0.0004","14.142","0.0003","16.2926","0.0004","89.681","0.002","72.126","0.002","86.839","0.002","2827.89","0.13","160","0.1","160","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C50.5 H51 Co4 F6 N8 O16.5 P -","- C50.5 H50.913 Co4 F6 N8 O16.4565 P -","- C101 H101.826 Co8 F12 N16 O32.913 P2 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0459","0.0367","","","0.0921","0.0971","","","","","","1.043","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127515","15.4022","0.0005","24.0916","0.0006","16.0068","0.0005","90","","96.849","0.003","90","","5897.2","0.3","183","2","183","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 B2 Co4 F8 N8 O20 -","- C48 H56 B2 Co4 F8 N8 O20 -","- C192 H224 B8 Co16 F32 N32 O80 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0671","0.0415","","","0.0899","0.1032","","","","","","1.034","","","","has coordinates","220770","2020-10-21","18:00:00",""
"4127516","12.7097","0.0002","14.2447","0.0003","15.7479","0.0003","90.0964","0.0015","105.617","0.0015","92.2521","0.0014","2743.49","0.09","160","0.1","160","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H51.85 Cl Co4 N8 O20.42 -","- C50 H47 Cl Co4 N8 O20.4248 -","- C100 H94 Cl2 Co8 N16 O40.8496 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0495","0.0401","","","0.1086","0.1135","","","","","","1.033","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127517","22.6584","0.0005","12.1359","0.0003","21.1615","0.0005","90","","115.784","0.003","90","","5239.7","0.3","159.99","0.1","159.99","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 B2 Co4 F8 N8 O14 -","- C48 H46 B2 Co4 F8 N8 O14 -","- C192 H184 B8 Co16 F32 N32 O56 -","4","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0529","0.0484","","","0.1375","0.1422","","","","","","1.026","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127518","22.3692","0.0006","12.07776","0.00019","21.0774","0.0005","90","","115.686","0.003","90","","5131.8","0.2","160","0.1","160","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cl2 Co4 N8 O20 -","- C48 H46 Cl2 Co4 N8 O20 -","- C192 H184 Cl8 Co16 N32 O80 -","4","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","1.54184","CuKα","","0.0679","0.0564","","","0.1574","0.1669","","","","","","1.048","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127519","22.5898","0.0006","11.955","0.0002","21.4009","0.0006","90","","116.258","0.003","90","","5183.2","0.3","160","0.1","160","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Co4 N10 O20 -","- C48 H46 Co4 N10 O20 -","- C192 H184 Co16 N40 O80 -","4","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","1.54184","CuKα","","0.0571","0.0507","","","0.151","0.1572","","","","","","1.057","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127520","11.7024","0.0002","12.9555","0.0003","19.8107","0.0004","91.1275","0.0017","100.374","0.0015","106.123","0.0017","2830.48","0.1","159.99","0.1","159.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H56 Co4 N12 O30 -","- C44 H44 Co4 N12 O30 -","- C88 H88 Co8 N24 O60 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0609","0.0517","","","0.1501","0.1575","","","","","","1.056","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127521","12.6067","0.001","14.0325","0.0006","18.7571","0.0012","90","","106.059","0.007","90","","3188.7","0.4","184","3","184","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 Co4 N8 O20 -","- C60 H71.414 Co4 N8 O20 -","- C120 H142.828 Co8 N16 O40 -","2","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0788","0.0489","","","0.1129","0.1272","","","","","","1.02","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127522","9.2864","0.0002","21.6644","0.0005","18.8463","0.0005","90","","95.987","0.002","90","","3770.9","0.16","182.9","0.7","182.9","0.7","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H37 Co2 N5 O7 -","- C40 H37 Co2 N5 O7 -","- C160 H148 Co8 N20 O28 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0442","0.0353","","","0.0784","0.0828","","","","","","1.031","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127523","11.9321","0.0001","13.3864","0.0001","23.8027","0.0002","91.281","0.001","92.085","0.001","107.581","0.001","3619.75","0.05","159.99","0.1","159.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H60.21 Co5 N15 O29.5 -","- C66 H60.212 Co5 N15 O29.5 -","- C132 H120.424 Co10 N30 O59 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","1.54184","CuKα","","0.0515","0.0419","","","0.1068","0.1144","","","","","","1.053","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127524","14.7712","0.0002","17.5108","0.0003","17.9137","0.0002","63.079","0.002","70.43","0.001","65.817","0.002","3704.6","0.12","160","0.1","160","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H90 Co4 N8 O37 -","- C52 H52 Co4 N8 O37 -","- C104 H104 Co8 N16 O74 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0793","0.0594","","","0.1707","0.1876","","","","","","1.014","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127525","22.7806","0.0017","12.0764","0.0005","21.2581","0.0013","90","","116.313","0.008","90","","5242.3","0.7","183.05","0.1","183.05","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 B2 Co2.3 F8 N8 Ni1.7 O14 -","- C48 H46 B2 Co2.3 F8 N8 Ni1.7 O14 -","- C192 H184 B8 Co9.2 F32 N32 Ni6.8 O56 -","4","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0647","0.0519","","","0.1478","0.1615","","","","","","1.046","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127526","22.4421","0.0009","12.016","0.0003","21.2212","0.0008","90","","116.299","0.005","90","","5130.3","0.4","183.05","0.1","183.05","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H48 Cl2 Co2.3 N8 Ni1.7 O21 -","- C48 H46 Cl2 Co2.3 N8 Ni1.7 O21 -","- C192 H184 Cl8 Co9.2 N32 Ni6.8 O84 -","4","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0609","0.041","","","0.1009","0.1171","","","","","","1.067","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127527","22.7499","0.0014","12.1315","0.0006","21.164","0.0012","90","","115.903","0.008","90","","5254.2","0.6","183.05","0.1","183.05","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cl2 Co1.94 N8 Ni2.06 O22 -","- C48 H46 Cl2 Co1.92 N8 Ni2.08 O22 -","- C192 H184 Cl8 Co7.68 N32 Ni8.32 O88 -","4","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0723","0.053","","","0.1344","0.1511","","","","","","1.04","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127528","12.2745","0.0003","13.3722","0.0004","19.5727","0.0004","88.324","0.002","73.699","0.002","64.454","0.003","2766.35","0.15","183","0.1","183","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C48 H46 Co1.66 F12 N8 Ni2.34 O14 P2 -","- C48 H46 Co1.64 F12 N8 Ni2.36 O14 P2 -","- C96 H92 Co3.28 F24 N16 Ni4.72 O28 P4 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0734","0.0601","","","0.1749","0.1896","","","","","","1.053","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127529","11.9719","0.0003","24.6331","0.0006","21.5467","0.0005","90","","101.719","0.003","90","","6221.8","0.3","160","0.1","160","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 B Co1.54 F4 N8 Ni2.46 O25 -","- C50 H51 B Co1.52 F4 N8 Ni2.48 O25 -","- C200 H204 B4 Co6.08 F16 N32 Ni9.92 O100 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0518","0.0408","","","0.1168","0.1229","","","","","","1.054","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127530","12.2353","0.0007","17.64","0.001","27.9435","0.0014","90","","99.12","0.005","90","","5954.8","0.6","183","0.14","183","0.14","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H61 Cl Co2.34 N8 Ni1.66 O22 -","- C50 H57 Cl Co2.34 N8 Ni1.66 O22 -","- C200 H228 Cl4 Co9.36 N32 Ni6.64 O88 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0747","0.0567","","","0.1407","0.1498","","","","","","1.1","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127531","12.0091","0.0003","23.9541","0.0007","21.5009","0.0005","90","","100.068","0.002","90","","6089.9","0.3","160","0.1","160","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Cl Co2.32 N8 Ni1.68 O28 -","- C50 H67 Cl Co2.32 N8 Ni1.68 O28 -","- C200 H268 Cl4 Co9.28 N32 Ni6.72 O112 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0576","0.0366","","","0.0693","0.0746","","","","","","1.013","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127532","12.0492","0.0002","24.3545","0.0004","21.4569","0.0004","90","","100.118","0.0017","90","","6198.65","0.19","160.01","0.1","160.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Cl Co1.9 N8 Ni2.1 O29 -","- C50 H67 Cl Co1.9 N8 Ni2.1 O29 -","- C200 H268 Cl4 Co7.6 N32 Ni8.4 O116 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0422","0.037","","","0.1052","0.1076","","","","","","1.091","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127533","11.9277","0.0003","23.7667","0.0006","21.4551","0.0005","90","","99.791","0.002","90","","5993.5","0.3","160","0.1","160","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Co1.54 N9 Ni2.46 O28 -","- C50 H67 Co1.54 N9 Ni2.46 O28 -","- C200 H268 Co6.16 N36 Ni9.84 O112 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0538","0.0425","","","0.1031","0.1074","","","","","","1.041","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127534","12.105","0.0003","24.6661","0.0008","21.5614","0.0006","90","","100.632","0.002","90","","6327.3","0.3","183","0.14","183","0.14","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Co2.36 F6 N8 Ni1.64 O25 P -","- C50 H61 Co2.36 F6 N8 Ni1.64 O25 P -","- C200 H244 Co9.44 F24 N32 Ni6.56 O100 P4 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0724","0.0504","","","0.1371","0.1538","","","","","","1.033","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127535","22.5327","0.0003","11.87693","0.00011","21.4511","0.0002","90","","116.456","0.0014","90","","5139.55","0.11","160","0.1","160","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H47.6 N10 Ni4 O21.42 -","- C48 H46 N10 Ni4 O21.418 -","- C192 H184 N40 Ni16 O85.672 -","4","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","1.54184","CuKα","","0.0508","0.0463","","","0.1256","0.1293","","","","","","1.036","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127536","11.60874","0.00012","12.86774","0.00012","19.73943","0.00015","91.543","0.0007","99.0305","0.0008","106.203","0.0008","2788.63","0.05","160","0.1","160","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H56 N12 Ni4 O30 -","- C44 H44 N12 Ni4 O30 -","- C88 H88 N24 Ni8 O60 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","1.54184","CuKα","","0.0442","0.0403","","","0.1129","0.1162","","","","","","1.053","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127537","11.7709","0.0003","13.3769","0.0003","17.3977","0.0004","91.475","0.002","100.3","0.002","91.778","0.002","2692.6","0.11","183.1","0.3","183.1","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C46 H53 N11 Ni4 O26 -","- C46 H51 N11 Ni4 O26 -","- C92 H102 N22 Ni8 O52 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","1.54184","CuKα","","0.0519","0.0351","","","0.0777","0.084","","","","","","1.013","","","","has coordinates","220770","2020-10-21","18:00:00",""
"4127538","11.9815","0.0003","24.6554","0.0007","21.5499","0.0006","90","","101.629","0.003","90","","6235.4","0.3","160","0.1","160","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 B F4 N8 Ni4 O25 -","- C50 H50.508 B F4 N8 Ni4 O24.999 -","- C200 H202.032 B4 F16 N32 Ni16 O99.996 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0513","0.0393","","","0.1003","0.1061","","","","","","1.037","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127539","11.951","0.0003","24.1715","0.0005","21.506","0.0006","90","","100.333","0.002","90","","6111.8","0.3","183","0.1","183","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H68 Cl N8 Ni4 O25.5 -","- C50 H47 Cl N8 Ni4 O25.5 -","- C200 H188 Cl4 N32 Ni16 O102 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0515","0.0413","","","0.1141","0.1203","","","","","","1.03","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127540","11.9897","0.0003","23.9258","0.0005","21.4676","0.0005","90","","100.261","0.002","90","","6059.8","0.2","160","0.1","160","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Cl N8 Ni4 O28 -","- C50 H67 Cl N8 Ni4 O28 -","- C200 H268 Cl4 N32 Ni16 O112 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0699","0.0627","","","0.1572","0.1602","","","","","","1.186","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127541","12.0432","0.0002","24.3255","0.0004","21.4471","0.0004","90","","100.226","0.0018","90","","6183.27","0.19","183","1","183","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Cl N8 Ni4 O29 -","- C50 H67 Cl N8 Ni4 O29 -","- C200 H268 Cl4 N32 Ni16 O116 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0499","0.0424","","","0.1145","0.1201","","","","","","1.054","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127542","11.9474","0.0003","23.7932","0.0007","21.4982","0.0006","90","","99.884","0.003","90","","6020.5","0.3","183","0.1","183","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 N9 Ni4 O28 -","- C50 H67 N9 Ni4 O28 -","- C200 H268 N36 Ni16 O112 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0567","0.0382","","","0.0911","0.0979","","","","","","1.027","","","","has coordinates","220770","2020-10-21","18:00:00",""
"4127543","12.0535","0.0003","24.6786","0.0006","21.4781","0.0005","90","","100.613","0.002","90","","6279.7","0.3","160","0.1","160","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 F6 N8 Ni4 O25 P -","- C50 H57 F6 N8 Ni4 O25 P -","- C200 H228 F24 N32 Ni16 O100 P4 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0679","0.0596","","","0.1497","0.1532","","","","","","1.124","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127544","5.7757","0.0006","10.0831","0.0012","12.4448","0.0014","70.856","0.005","84.636","0.005","73.657","0.005","657","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 B2 O4 S2 -","- C30 H30 B2 O4 S2 -","- C30 H30 B2 O4 S2 -","1","0.5","","Farrell, Jeffrey M.; Mützel, Carina; Bialas, David; Rudolf, Maximilian; Menekse, Kaan; Krause, Ana-Maria; Stolte, Matthias; Würthner, Frank","Tunable Low-LUMO Boron-Doped Polycyclic Aromatic Hydrocarbons by General One-Pot C-H Borylations.","Journal of the American Chemical Society","2019","141","22","9096","9104","10.1021/jacs.9b04675","","","1.54178","CuKα","","0.0342","0.0333","","","0.0897","0.0906","","","","","","1.057","","","","has coordinates","220771","2020-10-21","18:00:00",""
"4127545","9.4061","0.0005","11.8145","0.0007","15.8718","0.0009","90","","95.27","0.002","90","","1756.35","0.17","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 B2 -","- C48 H40 B2 -","- C96 H80 B4 -","2","0.5","","Farrell, Jeffrey M.; Mützel, Carina; Bialas, David; Rudolf, Maximilian; Menekse, Kaan; Krause, Ana-Maria; Stolte, Matthias; Würthner, Frank","Tunable Low-LUMO Boron-Doped Polycyclic Aromatic Hydrocarbons by General One-Pot C-H Borylations.","Journal of the American Chemical Society","2019","141","22","9096","9104","10.1021/jacs.9b04675","","","1.54178","CuKα","","0.0465","0.0419","","","0.1082","0.113","","","","","","1.034","","","","has coordinates","220772","2020-10-21","18:00:00",""
"4127546","5.6393","0.0004","12.8559","0.0008","14.1348","0.0009","80.086","0.003","89.946","0.003","85.751","0.003","1006.6","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H52 B2 O10 -","- C48 H52 B2 O10 -","- C48 H52 B2 O10 -","1","0.5","","Farrell, Jeffrey M.; Mützel, Carina; Bialas, David; Rudolf, Maximilian; Menekse, Kaan; Krause, Ana-Maria; Stolte, Matthias; Würthner, Frank","Tunable Low-LUMO Boron-Doped Polycyclic Aromatic Hydrocarbons by General One-Pot C-H Borylations.","Journal of the American Chemical Society","2019","141","22","9096","9104","10.1021/jacs.9b04675","","","1.54178","CuKα","","0.0653","0.057","","","0.1559","0.1655","","","","","","1.055","","","","has coordinates,has disorder","220773","2020-10-21","18:00:00",""
"4127547","14.7128","0.0005","14.9182","0.0005","16.4821","0.0006","74.5203","0.0018","87.2248","0.0019","86.8565","0.0018","3479","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68.99 H46.97 B4 F20 O8.5 S4.5 -","- C68.99 H46.97 B4 F20 O8.495 S4.495 -","- C137.98 H93.94 B8 F40 O16.99 S8.99 -","2","1","","Farrell, Jeffrey M.; Mützel, Carina; Bialas, David; Rudolf, Maximilian; Menekse, Kaan; Krause, Ana-Maria; Stolte, Matthias; Würthner, Frank","Tunable Low-LUMO Boron-Doped Polycyclic Aromatic Hydrocarbons by General One-Pot C-H Borylations.","Journal of the American Chemical Society","2019","141","22","9096","9104","10.1021/jacs.9b04675","","","1.54178","CuKα","","0.0871","0.0758","","","0.205","0.2149","","","","","","1.05","","","","has coordinates,has disorder","220774","2020-10-21","18:00:00",""
"4127548","13.5878","0.0004","7.1239","0.0002","22.9259","0.0007","90","","98.4482","0.0013","90","","2195.1","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 F10 -","- C30 H12 F10 -","- C120 H48 F40 -","4","1","","Farrell, Jeffrey M.; Mützel, Carina; Bialas, David; Rudolf, Maximilian; Menekse, Kaan; Krause, Ana-Maria; Stolte, Matthias; Würthner, Frank","Tunable Low-LUMO Boron-Doped Polycyclic Aromatic Hydrocarbons by General One-Pot C-H Borylations.","Journal of the American Chemical Society","2019","141","22","9096","9104","10.1021/jacs.9b04675","","","1.54178","CuKα","","0.0647","0.06","","","0.1643","0.1684","","","","","","1.083","","","","has coordinates","220775","2020-10-21","18:00:00",""
"4127549","11.4364","0.0013","15.6713","0.0018","16.661","0.002","90.509","0.006","91.262","0.007","98.341","0.006","2953.5","0.6","104","","104.57","","","","","","","","","8","P -1","-P 1","2","","","","- C51 H101 B Co I Na O6 P3 -","- C51 H101 B Co I Na O6 P3 -","- C102 H202 B2 Co2 I2 Na2 O12 P6 -","2","1","","Handford, Rex C.; Smith, Patrick W.; Tilley, T. Don","Activations of all Bonds to Silicon (Si-H, Si-C) in a Silane with Extrusion of [CoSiCo] Silicide Cores.","Journal of the American Chemical Society","2019","141","22","8769","8772","10.1021/jacs.9b04265","","","0.71073","MoKα","","0.0784","0.0633","","","0.1419","0.1489","","","","","","1.083","","","","has coordinates,has disorder","220776","2020-10-21","18:00:00",""
"4127550","11.5244","0.0004","12.7658","0.0004","21.215","0.0007","95.296","0.001","96.883","0.001","107.287","0.001","2931.59","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","[[BP2iPr](PhSiH2)CoH2]Si[H2Co[BP3iPr]]","","- C53 H101 B2 Co2 P5 Si2 -","- C53 H101 B2 Co2 P5 Si2 -","- C106 H202 B4 Co4 P10 Si4 -","2","1","","Handford, Rex C.; Smith, Patrick W.; Tilley, T. Don","Activations of all Bonds to Silicon (Si-H, Si-C) in a Silane with Extrusion of [CoSiCo] Silicide Cores.","Journal of the American Chemical Society","2019","141","22","8769","8772","10.1021/jacs.9b04265","","x-ray","0.7288","synchrotron","","0.0749","0.0504","","","0.105","0.1152","","","","","","1.034","","","","has coordinates,has disorder","220776","2020-10-21","18:00:00",""
"4127551","21.403","0.001","10.1831","0.0005","21.2625","0.001","90","","90","","90","","4634.1","0.4","100","2","100.15","","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C44 H79 B Co N2 O P3 Si -","- C44 H79 B Co N2 O P3 Si -","- C176 H316 B4 Co4 N8 O4 P12 Si4 -","4","1","","Handford, Rex C.; Smith, Patrick W.; Tilley, T. Don","Activations of all Bonds to Silicon (Si-H, Si-C) in a Silane with Extrusion of [CoSiCo] Silicide Cores.","Journal of the American Chemical Society","2019","141","22","8769","8772","10.1021/jacs.9b04265","","","0.7288","synchrotron","","0.0327","0.0289","","","0.0709","0.0797","","","","","","1.119","","","","has coordinates","220776","2020-10-21","18:00:00",""
"4127552","12.1123","0.0006","21.5468","0.0011","22.5752","0.0011","90","","90","","90","","5891.7","0.5","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","{[BP2]Co(dmap)}Si{H2Co[BP3[)","","- C54 H99 B2 Co2 N2 P5 Si -","- C54 H99 B2 Co2 N2 P5 Si -","- C216 H396 B8 Co8 N8 P20 Si4 -","4","1","","Handford, Rex C.; Smith, Patrick W.; Tilley, T. Don","Activations of all Bonds to Silicon (Si-H, Si-C) in a Silane with Extrusion of [CoSiCo] Silicide Cores.","Journal of the American Chemical Society","2019","141","22","8769","8772","10.1021/jacs.9b04265","","x-ray","0.7288","synchrotron","","0.0518","0.0413","","","0.0936","0.0988","","","","","","1.023","","","","has coordinates,has disorder","220776","2020-10-21","18:00:00",""
"4127553","13.6934","0.0006","16.3703","0.0007","18.7873","0.0008","90","","97.246","0.002","90","","4177.8","0.3","98.15","","98.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H71 B Co N2 P3 -","- C41 H71 B Co N2 P3 -","- C164 H284 B4 Co4 N8 P12 -","4","1","","Handford, Rex C.; Smith, Patrick W.; Tilley, T. Don","Activations of all Bonds to Silicon (Si-H, Si-C) in a Silane with Extrusion of [CoSiCo] Silicide Cores.","Journal of the American Chemical Society","2019","141","22","8769","8772","10.1021/jacs.9b04265","","","0.7288","synchrotron","","0.0466","0.0362","","","0.0847","0.093","","","","","","1.088","","","","has coordinates,has disorder","220776","2020-10-21","18:00:00",""
"4127554","13.211","0.0006","19.7623","0.001","13.6214","0.0007","90","","91.36","0.002","90","","3555.3","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[BP2]Co(SiHPhCH2PiPr2)H2","","- C33 H61 B Co P3 Si -","- C33 H61 B Co P3 Si -","- C132 H244 B4 Co4 P12 Si4 -","4","1","","Handford, Rex C.; Smith, Patrick W.; Tilley, T. Don","Activations of all Bonds to Silicon (Si-H, Si-C) in a Silane with Extrusion of [CoSiCo] Silicide Cores.","Journal of the American Chemical Society","2019","141","22","8769","8772","10.1021/jacs.9b04265","","x-ray","0.7288","synchrotron","","0.054","0.0373","","","0.0775","0.0842","","","","","","1.043","","","","has coordinates","220776","2020-10-21","18:00:00",""
"4127555","10.18015","0.00005","18.14258","0.00009","13.248","0.00006","90","","96.6667","0.0004","90","","2430.28","0.02","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 B F8 N6 Ni -","- C22 H21 B F8 N6 Ni -","- C88 H84 B4 F32 N24 Ni4 -","4","1","","Bour, James R.; Ferguson, Devin M.; McClain, Edward J.; Kampf, Jeff W.; Sanford, Melanie S.","Connecting Organometallic Ni(III) and Ni(IV): Reactions of Carbon-Centered Radicals with High-Valent Organonickel Complexes.","Journal of the American Chemical Society","2019","141","22","8914","8920","10.1021/jacs.9b02411","","","1.54184","CuKα","","0.0336","0.0332","","","0.0862","0.0865","","","","","","1.069","","","","has coordinates","220777","2020-10-21","18:00:00",""
"4127556","18.20014","0.0001","10.42886","0.00005","18.97636","0.00009","90","","110.941","0.0006","90","","3363.93","0.03","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 B F8 N6 Ni -","- C13 H10 B F8 N6 Ni -","- C104 H80 B8 F64 N48 Ni8 -","8","2","","Bour, James R.; Ferguson, Devin M.; McClain, Edward J.; Kampf, Jeff W.; Sanford, Melanie S.","Connecting Organometallic Ni(III) and Ni(IV): Reactions of Carbon-Centered Radicals with High-Valent Organonickel Complexes.","Journal of the American Chemical Society","2019","141","22","8914","8920","10.1021/jacs.9b02411","","","1.54178","CuKα","","0.0301","0.0294","","","0.0807","0.0815","","","","","","1.015","","","","has coordinates","220778","2020-10-21","18:00:00",""
"4127557","16.0863","0.0011","13.4144","0.0003","7.6365","0.0001","90","","90","","90","","1647.87","0.12","85","2","85","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H10 B F9 N6 Ni -","- C12 H10 B F9 N6 Ni -","- C48 H40 B4 F36 N24 Ni4 -","4","0.5","","Bour, James R.; Ferguson, Devin M.; McClain, Edward J.; Kampf, Jeff W.; Sanford, Melanie S.","Connecting Organometallic Ni(III) and Ni(IV): Reactions of Carbon-Centered Radicals with High-Valent Organonickel Complexes.","Journal of the American Chemical Society","2019","141","22","8914","8920","10.1021/jacs.9b02411","","","1.54178","CuKα","","0.037","0.0364","","","0.1024","0.1031","","","","","","1.095","","","","has coordinates","220779","2020-10-21","18:00:00",""
"4127558","7.3536","0.0003","17.7538","0.0005","17.6299","0.0007","90","","95.986","0.003","90","","2289.11","0.15","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 B F9 N6 Ni O2 -","- C20 H14 B F9 N6 Ni O2 -","- C80 H56 B4 F36 N24 Ni4 O8 -","4","1","","Bour, James R.; Ferguson, Devin M.; McClain, Edward J.; Kampf, Jeff W.; Sanford, Melanie S.","Connecting Organometallic Ni(III) and Ni(IV): Reactions of Carbon-Centered Radicals with High-Valent Organonickel Complexes.","Journal of the American Chemical Society","2019","141","22","8914","8920","10.1021/jacs.9b02411","","","1.54184","CuKα","","0.0774","0.0672","","","0.1642","0.1694","","","","","","1.154","","","","has coordinates,has disorder","220780","2020-10-21","18:00:00",""
"4127559","9.5099","0.0003","9.9578","0.0003","12.0931","0.0003","98.118","0.002","92.716","0.002","106.997","0.003","1079.43","0.06","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 B F9 N6 Ni -","- C19 H14 B F9 N6 Ni -","- C38 H28 B2 F18 N12 Ni2 -","2","1","","Bour, James R.; Ferguson, Devin M.; McClain, Edward J.; Kampf, Jeff W.; Sanford, Melanie S.","Connecting Organometallic Ni(III) and Ni(IV): Reactions of Carbon-Centered Radicals with High-Valent Organonickel Complexes.","Journal of the American Chemical Society","2019","141","22","8914","8920","10.1021/jacs.9b02411","","","1.54184","CuKα","","0.0457","0.0439","","","0.1189","0.1214","","","","","","1.031","","","","has coordinates","220781","2020-10-21","18:00:00",""
"4127560","7.685","0.002","15.605","0.005","16.223","0.005","74.967","0.005","89.639","0.006","79.799","0.006","1847.6","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cl Ir N2 O -","- C20 H24 Cl Ir N2 O -","- C80 H96 Cl4 Ir4 N8 O4 -","4","2","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0868","0.0506","","","0.0821","0.0915","","","","","","0.88","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127561","8.2734","0.0017","14.594","0.003","15.557","0.003","90","","93.433","0.004","90","","1875","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cl Ir N2 -","- C20 H24 Cl Ir N2 -","- C80 H96 Cl4 Ir4 N8 -","4","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0493","0.0358","","","0.0682","0.0714","","","","","","0.922","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127562","13.213","0.002","22.91","0.004","7.9438","0.0012","90","","125.501","0.002","90","","1957.7","0.5","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H27 Cl N3 Rh -","- C21 H27 Cl N3 Rh -","- C84 H108 Cl4 N12 Rh4 -","4","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0255","0.0239","","","0.0485","0.049","","","","","","0.99","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127563","7.6118","0.0017","15.544","0.003","16.253","0.004","75.165","0.004","89.518","0.004","79.832","0.004","1828.4","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cl N2 O Rh -","- C20 H24 Cl N2 O Rh -","- C80 H96 Cl4 N8 O4 Rh4 -","4","2","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0537","0.0387","","","0.0732","0.0784","","","","","","0.939","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127564","7.4249","0.001","20.189","0.003","27.124","0.004","90","","92.946","0.004","90","","4060.5","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H25 Cl2 N2 Rh -","- C20.5 H25 Cl2 N2 Rh -","- C164 H200 Cl16 N16 Rh8 -","8","2","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.1003","0.0557","","","0.0839","0.0948","","","","","","0.855","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4127565","7.8393","0.0015","11.816","0.002","12.944","0.002","95.293","0.003","102.089","0.003","104.111","0.003","1124","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H28 Cl F3 N2 Rh -","- C23 H28 Cl F3 N2 Rh -","- C46 H56 Cl2 F6 N4 Rh2 -","2","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0404","0.0348","","","0.0817","0.0841","","","","","","1.025","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127566","15.56","0.005","14.528","0.005","16.734","0.006","90","","90","","90","","3783","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Cl Ir N2 O -","- C20 H24 Cl Ir N2 O -","- C160 H192 Cl8 Ir8 N16 O8 -","8","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0585","0.0382","","","0.0757","0.0814","","","","","","0.982","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127567","15.47","0.002","14.542","0.002","16.668","0.003","90","","90","","90","","3749.7","1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Cl N2 O Rh -","- C20 H24 Cl N2 O Rh -","- C160 H192 Cl8 N16 O8 Rh8 -","8","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0564","0.0374","","","0.0734","0.0778","","","","","","0.919","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127568","14.863","0.007","15.107","0.007","19.157","0.008","90","","102.896","0.01","90","","4193","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20.5 H22 Cl2 F3 N2 Rh -","- C20.5 H22 Cl2 F3 N2 Rh -","- C164 H176 Cl16 F24 N16 Rh8 -","8","2","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.1642","0.0738","","","0.1159","0.1411","","","","","","0.852","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4127569","7.7784","0.0017","15.378","0.003","18.919","0.004","90","","90","","90","","2263","0.8","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl3 N3 O2 Rh -","- C20 H23 Cl3 N3 O2 Rh -","- C80 H92 Cl12 N12 O8 Rh4 -","4","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0525","0.0454","","","0.0965","0.0992","","","","","","0.996","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127570","7.6256","0.0004","7.4766","0.0003","9.9777","0.0005","90","","108.663","0.002","90","","538.95","0.05","100","2","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H12 O2 -","- C14 H12 O2 -","- C28 H24 O4 -","2","1","","Zheng, Hao; Ye, Hebo; Yu, Xiaoxia; You, Lei","Interplay between n→π* Interactions and Dynamic Covalent Bonds: Quantification and Modulation by Solvent Effects.","Journal of the American Chemical Society","2019","141","22","8825","8833","10.1021/jacs.9b01006","","","0.71073","MoKα","","0.0294","0.0269","","","0.0861","0.097","","","","","","1.294","","","","has coordinates","220783","2020-10-21","18:00:00",""
"4127571","10.53","0.004","7.555","0.003","15.466","0.006","90","","105.601","0.005","90","","1185.1","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O S -","- C14 H12 O S -","- C56 H48 O4 S4 -","4","1","","Zheng, Hao; Ye, Hebo; Yu, Xiaoxia; You, Lei","Interplay between n→π* Interactions and Dynamic Covalent Bonds: Quantification and Modulation by Solvent Effects.","Journal of the American Chemical Society","2019","141","22","8825","8833","10.1021/jacs.9b01006","","","0.71073","MoKα","","0.0424","0.0359","","","0.0984","0.1029","","","","","","1.049","","","","has coordinates","220783","2020-10-21","18:00:00",""
"4127572","29.482","0.006","30.095","0.006","33.669","0.007","97.35","0.03","93.16","0.03","112.74","0.03","27146","12","80","2","80","2","","","","","","","","7","P -1","-P 1","2","","","","- C188 H88 B2 F8 N16 O16 Pd2 -","- C188 H88 B2 F8 N16 O16 Pd2 -","- C1128 H528 B12 F48 N96 O96 Pd12 -","6","3","","Chen, Bin; Holstein, Julian J.; Horiuchi, Shinnosuke; Hiller, Wolf G.; Clever, Guido H.","Pd(II) Coordination Sphere Engineering: Pyridine Cages, Quinoline Bowls, and Heteroleptic Pills Binding One or Two Fullerenes.","Journal of the American Chemical Society","2019","141","22","8907","8913","10.1021/jacs.9b02207","","","0.6888","synchrotron","","0.115","0.0887","","","0.282","0.3067","","","","","","1.165","","","","has coordinates,has disorder","220784","2020-10-21","18:00:00",""
"4127573","16.884","0.003","19.386","0.004","32.974","0.007","90","","103.27","0.03","90","","10505","4","80","2","80","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C160 H104 B4 F16 N16 O16 Pd2 -","- C160 H104 B4 F16 N16 O16 Pd2 -","- C320 H208 B8 F32 N32 O32 Pd4 -","2","0.5","","Chen, Bin; Holstein, Julian J.; Horiuchi, Shinnosuke; Hiller, Wolf G.; Clever, Guido H.","Pd(II) Coordination Sphere Engineering: Pyridine Cages, Quinoline Bowls, and Heteroleptic Pills Binding One or Two Fullerenes.","Journal of the American Chemical Society","2019","141","22","8907","8913","10.1021/jacs.9b02207","","","0.6888","synchrotron","","0.0947","0.0791","","","0.2484","0.2696","","","","","","1.074","","","","has coordinates","220785","2020-10-21","18:00:00",""
"4127574","18.628","0.004","37.428","0.008","25.814","0.005","90","","92.11","0.03","90","","17986","6","80","2","80","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C214 H126 B2 Cl2 F8 N14 O16 Pd2 -","- C214 H126 B2 Cl2 F8 N14 O16 Pd2 -","- C856 H504 B8 Cl8 F32 N56 O64 Pd8 -","4","1","","Chen, Bin; Holstein, Julian J.; Horiuchi, Shinnosuke; Hiller, Wolf G.; Clever, Guido H.","Pd(II) Coordination Sphere Engineering: Pyridine Cages, Quinoline Bowls, and Heteroleptic Pills Binding One or Two Fullerenes.","Journal of the American Chemical Society","2019","141","22","8907","8913","10.1021/jacs.9b02207","","","0.6888","synchrotron","","0.1517","0.123","","","0.3579","0.3816","","","","","","1.474","","","","has coordinates,has disorder","220786","2020-10-21","18:00:00",""
"4127575","18.9931","0.0018","20.6975","0.0019","24.287","0.002","69.678","0.006","72.978","0.006","69.473","0.006","8224.3","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C192 H96 B4 F16 N18 O12 Pd2 -","- C192 H96 B4 F16 N18 O12 Pd2 -","- C384 H192 B8 F32 N36 O24 Pd4 -","2","1","","Chen, Bin; Holstein, Julian J.; Horiuchi, Shinnosuke; Hiller, Wolf G.; Clever, Guido H.","Pd(II) Coordination Sphere Engineering: Pyridine Cages, Quinoline Bowls, and Heteroleptic Pills Binding One or Two Fullerenes.","Journal of the American Chemical Society","2019","141","22","8907","8913","10.1021/jacs.9b02207","","","1.54178","CuKα","","0.1412","0.0994","","","0.2438","0.2675","","","","","","1.063","","","","has coordinates,has disorder","220787","2020-10-21","18:00:00",""
"4127576","7.3461","0.0002","8.2067","0.0003","23.9093","0.0008","90","","93.499","0.002","90","","1438.74","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H26 N4 O4 -","- C40 H26 N4 O4 -","- C80 H52 N8 O8 -","2","1","","Chen, Bin; Holstein, Julian J.; Horiuchi, Shinnosuke; Hiller, Wolf G.; Clever, Guido H.","Pd(II) Coordination Sphere Engineering: Pyridine Cages, Quinoline Bowls, and Heteroleptic Pills Binding One or Two Fullerenes.","Journal of the American Chemical Society","2019","141","22","8907","8913","10.1021/jacs.9b02207","","","1.54178","CuKα","","0.0321","0.029","","","0.0703","0.0717","","","","","","1.053","","","","has coordinates","220788","2020-10-21","18:00:00",""
"4127577","15.689","0.003","17.074","0.003","17.522","0.004","112.9","0.03","113.54","0.03","90.59","0.03","3887","2","80","2","80","2","","","","","","","","7","P -1","-P 1","2","","","","- C128 H88 B4 F16 N16 O16 Pd2 -","- C128 H88 B4 F16 N16 O16 Pd2 -","- C128 H88 B4 F16 N16 O16 Pd2 -","1","0.5","","Chen, Bin; Holstein, Julian J.; Horiuchi, Shinnosuke; Hiller, Wolf G.; Clever, Guido H.","Pd(II) Coordination Sphere Engineering: Pyridine Cages, Quinoline Bowls, and Heteroleptic Pills Binding One or Two Fullerenes.","Journal of the American Chemical Society","2019","141","22","8907","8913","10.1021/jacs.9b02207","","","0.6888","synchrotron","","0.0949","0.0801","","","0.2478","0.2626","","","","","","1.049","","","","has coordinates,has disorder","220789","2020-10-21","18:00:00",""
"4127578","15.3169","0.0012","8.695","0.0007","11.702","0.0009","90","","102.131","0.0016","90","","1523.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","KZ1","","","- C16 H27 N O3 -","- C16 H27 N O3 -","- C64 H108 N4 O12 -","4","1","","Zhao, Kuo; Yamashita, Kenji; Carpenter, Joseph E.; Sherwood, Trevor C.; Ewing, William R.; Cheng, Peter T. W.; Knowles, Robert R.","Catalytic Ring Expansions of Cyclic Alcohols Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","141","22","8752","8757","10.1021/jacs.9b03973","","","0.71073","MoKα","","0.0507","0.0421","","","0.1099","0.115","","","","","","1.063","","","","has coordinates","220790","2020-10-21","18:00:00",""
"4127579","6.6727","0.0001","17.8456","0.0004","12.3622","0.0003","90","","98.4333","0.0007","90","","1456.15","0.05","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","KZ3","","","- C14 H25 N O3 -","- C14 H25 N O3 -","- C56 H100 N4 O12 -","4","1","","Zhao, Kuo; Yamashita, Kenji; Carpenter, Joseph E.; Sherwood, Trevor C.; Ewing, William R.; Cheng, Peter T. W.; Knowles, Robert R.","Catalytic Ring Expansions of Cyclic Alcohols Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","141","22","8752","8757","10.1021/jacs.9b03973","","","1.54178","CuKα","","0.0225","0.0222","","","0.0548","0.0549","","","","","","1.074","","","","has coordinates","220791","2020-10-21","18:00:00",""
"4127580","12.564","0.0005","9.2554","0.0004","12.341","0.0005","90","","91.5498","0.0012","90","","1434.55","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","KZ-I-417","","","- C14 H25 N O3 -","- C14 H25 N O3 -","- C56 H100 N4 O12 -","4","1","","Zhao, Kuo; Yamashita, Kenji; Carpenter, Joseph E.; Sherwood, Trevor C.; Ewing, William R.; Cheng, Peter T. W.; Knowles, Robert R.","Catalytic Ring Expansions of Cyclic Alcohols Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","141","22","8752","8757","10.1021/jacs.9b03973","","","1.54178","CuKα","","0.035","0.0337","","","0.0796","0.0806","","","","","","1.034","","","","has coordinates","220792","2020-10-21","18:00:00",""
"4127581","6.7263","0.0005","9.6206","0.0007","10.0133","0.0007","114.987","0.002","102.242","0.002","94.169","0.002","564.26","0.07","100","2","100","2","","","","","","","","3","P 1","P 1","1","KY1-Mo","","","- C28 H40 O2 -","- C28 H40 O2 -","- C28 H40 O2 -","1","1","","Zhao, Kuo; Yamashita, Kenji; Carpenter, Joseph E.; Sherwood, Trevor C.; Ewing, William R.; Cheng, Peter T. W.; Knowles, Robert R.","Catalytic Ring Expansions of Cyclic Alcohols Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","141","22","8752","8757","10.1021/jacs.9b03973","","","0.71073","MoKα","","0.0347","0.032","","","0.0876","0.0899","","","","","","1.028","","","","has coordinates","220793","2020-10-21","18:00:00",""
"4127582","23.0932","0.0015","8.0164","0.0004","20.0514","0.0018","90","","105.212","0.008","90","","3581.9","0.5","200","","200","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C21 H12 N12 O6 -","- C21 H12 N12 O6 -","- C84 H48 N48 O24 -","4","0.5","","Han, Bin; Wang, Hailong; Wang, Chiming; Wu, Hui; Zhou, Wei; Chen, Banglin; Jiang, Jianzhuang","Postsynthetic Metalation of a Robust Hydrogen-Bonded Organic Framework for Heterogeneous Catalysis.","Journal of the American Chemical Society","2019","141","22","8737","8740","10.1021/jacs.9b03766","","","1.54178","CuKα","","0.0862","0.074","","","0.2145","0.2254","","","","","","1.061","","","","has coordinates","220794","2020-10-21","18:00:00",""
"4127583","8.5938","0.0003","12.6025","0.0005","18.7895","0.0007","90.27","0.002","98.808","0.002","103.186","0.002","1956.29","0.13","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 Cl F12 N5 P2 -","- C30 H42 Cl F12 N5 P2 -","- C60 H84 Cl2 F24 N10 P4 -","2","1","","Plajer, Alex J.; Zhu, Jinbo; Proehm, Patrick; Bond, Andrew D.; Keyser, Ulrich F.; Wright, Dominic S.","Tailoring the Binding Properties of Phosphazane Anion Receptors and Transporters.","Journal of the American Chemical Society","2019","141","22","8807","8815","10.1021/jacs.9b00504","","","1.54178","CuKα","","0.0752","0.0524","","","0.1161","0.1289","","","","","","1.038","","","","has coordinates,has disorder","220795","2020-10-21","18:00:00",""
"4127584","12.5792","0.0004","12.9314","0.0004","15.3966","0.0005","102.596","0.0014","96.241","0.002","113.505","0.0013","2187.18","0.13","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H47 Cl F12 N5 O0.5 P2 Se2 -","- C30 H42 Cl F12 N5 P2 Se2 -","- C60 H84 Cl2 F24 N10 P4 Se4 -","2","1","","Plajer, Alex J.; Zhu, Jinbo; Proehm, Patrick; Bond, Andrew D.; Keyser, Ulrich F.; Wright, Dominic S.","Tailoring the Binding Properties of Phosphazane Anion Receptors and Transporters.","Journal of the American Chemical Society","2019","141","22","8807","8815","10.1021/jacs.9b00504","","","1.54178","CuKα","","0.0598","0.0431","","","0.0996","0.1078","","","","","","1.019","","","","has coordinates","220796","2020-10-21","18:00:00",""
"4127585","12.4964","0.0004","13.1178","0.0004","15.3713","0.0005","87.935","0.002","82.314","0.002","67.01","0.002","2298.41","0.13","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Cl F24 N5 P2 -","- C38 H30 Cl F24 N5 P2 -","- C76 H60 Cl2 F48 N10 P4 -","2","1","","Plajer, Alex J.; Zhu, Jinbo; Proehm, Patrick; Bond, Andrew D.; Keyser, Ulrich F.; Wright, Dominic S.","Tailoring the Binding Properties of Phosphazane Anion Receptors and Transporters.","Journal of the American Chemical Society","2019","141","22","8807","8815","10.1021/jacs.9b00504","","","1.54178","CuKα","","0.0792","0.0632","","","0.1583","0.1733","","","","","","1.037","","","","has coordinates,has disorder","220797","2020-10-21","18:00:00",""
"4127586","13.9922","0.0004","14.11","0.0004","21.4076","0.0006","90","","93.5574","0.0014","90","","4218.4","0.2","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Au2 Cl3 F12 N5 P2 -","- C30 H42 Au2 Cl3 F12 N5 P2 -","- C120 H168 Au8 Cl12 F48 N20 P8 -","4","1","","Plajer, Alex J.; Zhu, Jinbo; Proehm, Patrick; Bond, Andrew D.; Keyser, Ulrich F.; Wright, Dominic S.","Tailoring the Binding Properties of Phosphazane Anion Receptors and Transporters.","Journal of the American Chemical Society","2019","141","22","8807","8815","10.1021/jacs.9b00504","","","1.54178","CuKα","","0.0459","0.0296","","","0.0527","0.057","","","","","","1.013","","","","has coordinates,has disorder","220798","2020-10-21","18:00:00",""
"4127587","6.602","0.0002","21.2549","0.0006","11.3873","0.0003","90","","103.046","0.001","90","","1556.68","0.08","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15 Br2 N O -","- C17 H15 Br2 N O -","- C68 H60 Br8 N4 O4 -","4","2","","Allen, Jamie R.; Bahamonde, Ana; Furukawa, Yukino; Sigman, Matthew S.","Enantioselective N-Alkylation of Indoles via an Intermolecular Aza-Wacker-Type Reaction.","Journal of the American Chemical Society","2019","141","22","8670","8674","10.1021/jacs.9b01476","","","0.71073","MoKα","","0.0422","0.0298","","","0.0615","0.0643","","","","","","1.039","","","","has coordinates,has disorder","220799","2020-10-21","18:00:00",""
"4127588","13.106","0.0006","19.2811","0.0011","25.7572","0.0014","90","","97.696","0.002","90","","6450.2","0.6","151","2","151","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H56 F20 N4 O3 Ru -","- C70 H56 F20 N4 O3 Ru -","- C280 H224 F80 N16 O12 Ru4 -","4","1","","Wang, Hai-Xu; Wan, Qingyun; Wu, Kai; Low, Kam-Hung; Yang, Chen; Zhou, Cong-Ying; Huang, Jie-Sheng; Che, Chi-Ming","Ruthenium(II) Porphyrin Quinoid Carbene Complexes: Synthesis, Crystal Structure, and Reactivity toward Carbene Transfer and Hydrogen Atom Transfer Reactions.","Journal of the American Chemical Society","2019","141","22","9027","9046","10.1021/jacs.9b03357","","","0.71073","MoKα","","0.0632","0.0395","","","0.0746","0.0829","","","","","","1.023","","","","has coordinates,has disorder","220800","2020-10-21","18:00:00",""
"4127589","10.8495","0.0006","6.8023","0.0003","16.472","0.0009","90","","107.56","0.002","90","","1159.01","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 Br2 N O2 -","- C12 H7 Br2 N O2 -","- C48 H28 Br8 N4 O8 -","4","1","","Wang, Hai-Xu; Wan, Qingyun; Wu, Kai; Low, Kam-Hung; Yang, Chen; Zhou, Cong-Ying; Huang, Jie-Sheng; Che, Chi-Ming","Ruthenium(II) Porphyrin Quinoid Carbene Complexes: Synthesis, Crystal Structure, and Reactivity toward Carbene Transfer and Hydrogen Atom Transfer Reactions.","Journal of the American Chemical Society","2019","141","22","9027","9046","10.1021/jacs.9b03357","","","0.71073","MoKα","","0.0389","0.0305","","","0.0764","0.0811","","","","","","1.083","","","","has coordinates","220801","2020-10-21","18:00:00",""
"4127590","17.3283","0.0008","18.8683","0.001","20.1718","0.001","90","","108.391","0.003","90","","6258.4","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H78 N4 O3 Ru -","- C72 H78 N4 O3 Ru -","- C288 H312 N16 O12 Ru4 -","4","1","","Wang, Hai-Xu; Wan, Qingyun; Wu, Kai; Low, Kam-Hung; Yang, Chen; Zhou, Cong-Ying; Huang, Jie-Sheng; Che, Chi-Ming","Ruthenium(II) Porphyrin Quinoid Carbene Complexes: Synthesis, Crystal Structure, and Reactivity toward Carbene Transfer and Hydrogen Atom Transfer Reactions.","Journal of the American Chemical Society","2019","141","22","9027","9046","10.1021/jacs.9b03357","","","1.54178","CuKα","","0.0862","0.0689","","","0.1803","0.202","","","","","","1.049","","","","has coordinates","220802","2020-10-21","18:00:00",""
"4127591","15.9947","0.0017","19.257","0.002","19.861","0.002","90","","95.902","0.004","90","","6085","1.1","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65 H64 Br2 Cl2 N4 O3 Ru -","- C63 H58 Br2 N4 O2 Ru -","- C252 H232 Br8 N16 O8 Ru4 -","4","1","","Wang, Hai-Xu; Wan, Qingyun; Wu, Kai; Low, Kam-Hung; Yang, Chen; Zhou, Cong-Ying; Huang, Jie-Sheng; Che, Chi-Ming","Ruthenium(II) Porphyrin Quinoid Carbene Complexes: Synthesis, Crystal Structure, and Reactivity toward Carbene Transfer and Hydrogen Atom Transfer Reactions.","Journal of the American Chemical Society","2019","141","22","9027","9046","10.1021/jacs.9b03357","","","1.34138","GaKα","","0.133","0.1055","","","0.2264","0.2385","","","","","","1.113","","","","has coordinates,has disorder","220803","2020-10-21","18:00:00",""
"4127592","8.2926","0.0018","8.5989","0.0018","24.551","0.006","90","","90","","90","","1750.7","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Ge, Yao; Han, Zhaobin; Wang, Zheng; Ding, Kuiling","Ir-Catalyzed Double Asymmetric Hydrogenation of 3,6-Dialkylidene-2,5-diketopiperazines for Enantioselective Synthesis of Cyclic Dipeptides.","Journal of the American Chemical Society","2019","141","22","8981","8988","10.1021/jacs.9b02920","","","0.71073","MoKα","","0.0561","0.0443","","","0.1064","0.1136","","","","","","1.036","","","","has coordinates","220804","2020-10-21","18:00:00",""
"4127593","15.231","0.0007","14.0585","0.0006","7.9797","0.0004","90","","100.429","0.002","90","","1680.43","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Ge, Yao; Han, Zhaobin; Wang, Zheng; Ding, Kuiling","Ir-Catalyzed Double Asymmetric Hydrogenation of 3,6-Dialkylidene-2,5-diketopiperazines for Enantioselective Synthesis of Cyclic Dipeptides.","Journal of the American Chemical Society","2019","141","22","8981","8988","10.1021/jacs.9b02920","","","0.71073","MoKα","","0.0491","0.0397","","","0.093","0.1","","","","","","1.034","","","","has coordinates","220805","2020-10-21","18:00:00",""
"4127594","11.9533","0.0004","11.9161","0.0004","12.8876","0.0004","90","","117.574","0.001","90","","1627.16","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Ge, Yao; Han, Zhaobin; Wang, Zheng; Ding, Kuiling","Ir-Catalyzed Double Asymmetric Hydrogenation of 3,6-Dialkylidene-2,5-diketopiperazines for Enantioselective Synthesis of Cyclic Dipeptides.","Journal of the American Chemical Society","2019","141","22","8981","8988","10.1021/jacs.9b02920","","","0.71073","MoKα","","0.0561","0.0418","","","0.1042","0.1154","","","","","","1.032","","","","has coordinates","220806","2020-10-21","18:00:00",""
"4127595","22.2486","0.001","7.9023","0.0004","12.0937","0.0006","90","","90","","90","","2126.26","0.18","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","1","","Ge, Yao; Han, Zhaobin; Wang, Zheng; Ding, Kuiling","Ir-Catalyzed Double Asymmetric Hydrogenation of 3,6-Dialkylidene-2,5-diketopiperazines for Enantioselective Synthesis of Cyclic Dipeptides.","Journal of the American Chemical Society","2019","141","22","8981","8988","10.1021/jacs.9b02920","","","0.71073","MoKα","","0.0634","0.0484","","","0.1174","0.1268","","","","","","0.992","","","","has coordinates","220807","2020-10-21","18:00:00",""
"4127596","10.2926","0.0002","10.4476","0.0003","12.0917","0.0003","97.2017","0.0014","108.023","0.0013","106.001","0.0013","1156.56","0.05","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","dimethyl [2,2'-bifuran]-3,4'-dicarboxylate","","- C12 H10 O6 -","- C12 H10 O6 -","- C48 H40 O24 -","4","2","","Varni, Anthony J.; Fortney, Andria; Baker, Matthew A.; Worch, Joshua C.; Qiu, Yunyan; Yaron, David; Bernhard, Stefan; Noonan, Kevin J. T.; Kowalewski, Tomasz","Photostable Helical Polyfurans.","Journal of the American Chemical Society","2019","141","22","8858","8867","10.1021/jacs.9b01567","","","0.71073","MoKα","","0.0953","0.0631","","","0.1506","0.1862","","","","","","0.799","","","","has coordinates","220808","2020-10-21","18:00:00",""
"4127597","24.92","0.02","8.848","0.008","19.069","0.016","90","","137.02","0.03","90","","2866","5","293","2","293.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H26.5 B0.5 F12 N0.5 O5.5 -","- C26 H26.5 B0.5 F12 N0.5 O5.5 -","- C104 H106 B2 F48 N2 O22 -","4","1","","Wang, Xiang; Shyshov, Oleksandr; Hanževački, Marko; Jäger, Christof M; von Delius, Max","Ammonium Complexes of Orthoester Cryptands Are Inherently Dynamic and Adaptive.","Journal of the American Chemical Society","2019","141","22","8868","8876","10.1021/jacs.9b01350","","","0.71073","MoKα","","0.0617","0.0495","","","0.1168","0.1254","","","","","","1.045","","","","has coordinates,has disorder","220809","2020-10-21","18:00:00",""
"4127598","11.1875","0.0008","7.2452","0.0005","17.2577","0.0012","90","","90","","90","","1398.83","0.17","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H15 Cl2 Ga N2 -","- C13 H15 Cl2 Ga N2 -","- C52 H60 Cl8 Ga4 N8 -","4","0.5","","Wan, Wang; Silva, Mayura S.; McMillen, Colin D.; Creager, Stephen E.; Smith, Rhett C.","Highly Luminescent Heavier Main Group Analogues of Boron-Dipyrromethene.","Journal of the American Chemical Society","2019","141","22","8703","8707","10.1021/jacs.9b03235","","","0.71073","MoKα","","0.0297","0.0231","","","0.0514","0.0535","","","","","","1.088","","","","has coordinates,has disorder","220810","2020-10-21","18:00:00",""
"4127599","8.6289","0.0003","13.4611","0.0006","17.3748","0.0008","109.968","0.002","97.648","0.002","96.762","0.002","1850.89","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Cl2 Ga N2 -","- C17 H23 Cl2 Ga N2 -","- C68 H92 Cl8 Ga4 N8 -","4","2","","Wan, Wang; Silva, Mayura S.; McMillen, Colin D.; Creager, Stephen E.; Smith, Rhett C.","Highly Luminescent Heavier Main Group Analogues of Boron-Dipyrromethene.","Journal of the American Chemical Society","2019","141","22","8703","8707","10.1021/jacs.9b03235","","","0.71073","MoKα","","0.1145","0.0547","","","0.1306","0.1777","","","","","","1.031","","","","has coordinates,has disorder","220810","2020-10-21","18:00:00",""
"4127600","13.1436","0.0003","38.6728","0.0006","13.8852","0.0001","90","","101.61","0.002","90","","6913.4","0.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C75 H105 Mg2 N6 -","- C75 H105 Mg2 N6 -","- C300 H420 Mg8 N24 -","4","1","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","1.54184","CuKα","","0.1132","0.1038","","","0.2697","0.2771","","","","","","1.064","","","","has coordinates","220812","2020-10-21","18:00:00",""
"4127601","12.1084","0.0002","23.7535","0.0003","20.6189","0.0003","90","","105.161","0.002","90","","5723.94","0.16","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C61 H86 Mg2 N6 -","- C61 H86 Mg2 N6 -","- C244 H344 Mg8 N24 -","4","2","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","1.54184","CuKα","","0.049","0.0451","","","0.1169","0.1199","","","","","","1.04","","","","has coordinates","220813","2020-10-21","18:00:00",""
"4127602","11.3076","0.0002","12.1875","0.0003","14.7195","0.0003","80.021","0.002","79.085","0.002","78.468","0.002","1932.18","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H56 Mg N5 -","- C40 H56 Mg N5 -","- C80 H112 Mg2 N10 -","2","1","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","1.54184","CuKα","","0.081","0.0751","","","0.2251","0.2324","","","","","","1.054","","","","has coordinates","220814","2020-10-21","18:00:00",""
"4127603","14.87","0.003","22.51","0.005","23.06","0.005","110.59","0.03","93.04","0.03","107.64","0.03","6775","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C142 H194 Mg4 N12 O6 -","- C142 H194 Mg4 N12 O6 -","- C284 H388 Mg8 N24 O12 -","2","1","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","0.7109","Synchrotron","","0.0715","0.0542","","","0.1363","0.1471","","","","","","1.034","","","","has coordinates,has disorder","220815","2020-10-21","18:00:00",""
"4127604","12.5299","0.0002","27.8387","0.0004","13.9241","0.0002","90","","107.969","0.002","90","","4620.05","0.13","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H62 Mg2 N6 -","- C49 H62 Mg2 N6 -","- C196 H248 Mg8 N24 -","4","1","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","1.54184","CuKα","","0.0641","0.0539","","","0.1362","0.1427","","","","","","1.022","","","","has coordinates","220816","2020-10-21","18:00:00",""
"4127605","19.6232","0.0001","16.9557","0.0001","20.7704","0.0001","90","","106.957","0.001","90","","6610.38","0.07","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H100.2 Mg2 N6 O0.2 -","- C72 H100.2 Mg2 N6 O0.2 -","- C288 H400.8 Mg8 N24 O0.8 -","4","1","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","1.54184","CuKα","","0.0473","0.0447","","","0.1179","0.1197","","","","","","1.03","","","","has coordinates","220817","2020-10-21","18:00:00",""
"4127606","14.2869","0.0002","15.1785","0.0002","20.5089","0.0002","70.69","0.001","74.999","0.001","66.558","0.001","3808.97","0.09","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C164 H216 Mg4 N12 O6 -","- C164 H216 Mg4 N12 O6 -","- C164 H216 Mg4 N12 O6 -","1","0.5","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","1.54184","CuKα","","0.041","0.0393","","","0.1039","0.1051","","","","","","1.03","","","","has coordinates","220818","2020-10-21","18:00:00",""
"4127607","12.7134","0.0009","12.8099","0.001","33.101","0.003","86.539","0.002","79.62","0.002","72.556","0.002","5058.5","0.7","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H70 Mg2 N6 -","- C53 H70 Mg2 N6 -","- C212 H280 Mg8 N24 -","4","2","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","0.71073","MoKα","","0.198","0.0741","","","0.1133","0.146","","","","","","1.001","","","","has coordinates","220819","2020-10-21","18:00:00",""
"4127608","9.6512","0.0004","13.5252","0.0004","17.6863","0.0006","90","","100.782","0.004","90","","2267.91","0.14","179.98","0.1","179.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H76 Cl2 N4 Sc2 -","- C42 H76 Cl2 N4 Sc2 -","- C84 H152 Cl4 N8 Sc4 -","2","0.5","","Lv, Ze-Jie; Huang, Zhe; Zhang, Wen-Xiong; Xi, Zhenfeng","Scandium-Promoted Direct Conversion of Dinitrogen into Hydrazine Derivatives via N-C Bond Formation.","Journal of the American Chemical Society","2019","141","22","8773","8777","10.1021/jacs.9b04293","","x-ray","0.71073","MoKα","","0.0392","0.0335","","","0.0844","0.0885","","","","","","1.105","","","","has coordinates,has disorder","220820","2020-10-21","18:00:00",""
"4127609","10.0734","0.0002","10.7038","0.0003","11.7518","0.0003","106.529","0.002","109.932","0.002","94.521","0.002","1120.05","0.05","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C42 H76 N6 Sc2 -","- C42 H76 N6 Sc2 -","- C42 H76 N6 Sc2 -","1","0.5","","Lv, Ze-Jie; Huang, Zhe; Zhang, Wen-Xiong; Xi, Zhenfeng","Scandium-Promoted Direct Conversion of Dinitrogen into Hydrazine Derivatives via N-C Bond Formation.","Journal of the American Chemical Society","2019","141","22","8773","8777","10.1021/jacs.9b04293","","x-ray","0.71073","MoKα","","0.0277","0.0265","","","0.0729","0.0738","","","","","","1.075","","","","has coordinates","220820","2020-10-21","18:00:00",""
"4127610","14.6301","0.0003","16.8287","0.0005","18.4005","0.0005","113.865","0.003","95.582","0.002","102.815","0.002","3949.9","0.2","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H112 K N8 O6 Sc2 -","- C60 H112 K N8 O6 Sc2 -","- C120 H224 K2 N16 O12 Sc4 -","2","1","","Lv, Ze-Jie; Huang, Zhe; Zhang, Wen-Xiong; Xi, Zhenfeng","Scandium-Promoted Direct Conversion of Dinitrogen into Hydrazine Derivatives via N-C Bond Formation.","Journal of the American Chemical Society","2019","141","22","8773","8777","10.1021/jacs.9b04293","","x-ray","0.71073","MoKα","","0.0423","0.0356","","","0.0973","0.1018","","","","","","1.026","","","","has coordinates,has disorder","220820","2020-10-21","18:00:00",""
"4127611","11.5267","0.0002","13.7143","0.0003","14.9888","0.0003","77.391","0.002","89.362","0.002","89.452","0.002","2312.09","0.08","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C44 H82 N6 Sc2 -","- C44 H82 N6 Sc2 -","- C88 H164 N12 Sc4 -","2","1","","Lv, Ze-Jie; Huang, Zhe; Zhang, Wen-Xiong; Xi, Zhenfeng","Scandium-Promoted Direct Conversion of Dinitrogen into Hydrazine Derivatives via N-C Bond Formation.","Journal of the American Chemical Society","2019","141","22","8773","8777","10.1021/jacs.9b04293","","x-ray","0.71073","MoKα","","0.0381","0.0317","","","0.0872","0.0909","","","","","","1.048","","","","has coordinates","220820","2020-10-21","18:00:00",""
"4127612","9.6058","0.0002","13.9131","0.0002","17.8895","0.0003","90","","101.269","0.002","90","","2344.77","0.07","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H76 I2 N4 Sc2 -","- C42 H76 I2 N4 Sc2 -","- C84 H152 I4 N8 Sc4 -","2","0.5","","Lv, Ze-Jie; Huang, Zhe; Zhang, Wen-Xiong; Xi, Zhenfeng","Scandium-Promoted Direct Conversion of Dinitrogen into Hydrazine Derivatives via N-C Bond Formation.","Journal of the American Chemical Society","2019","141","22","8773","8777","10.1021/jacs.9b04293","","x-ray","0.71073","MoKα","","0.0272","0.025","","","0.0666","0.0686","","","","","","1.075","","","","has coordinates,has disorder","220820","2020-10-21","18:00:00",""
"4127613","9.6328","0.0003","13.6495","0.0004","17.778","0.0005","90","","100.739","0.003","90","","2296.56","0.12","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H76 Br2 N4 Sc2 -","- C42 H76 Br2 N4 Sc2 -","- C84 H152 Br4 N8 Sc4 -","2","0.5","","Lv, Ze-Jie; Huang, Zhe; Zhang, Wen-Xiong; Xi, Zhenfeng","Scandium-Promoted Direct Conversion of Dinitrogen into Hydrazine Derivatives via N-C Bond Formation.","Journal of the American Chemical Society","2019","141","22","8773","8777","10.1021/jacs.9b04293","","x-ray","0.71073","MoKα","","0.0345","0.0304","","","0.0863","0.0888","","","","","","1.053","","","","has coordinates,has disorder","220820","2020-10-21","18:00:00",""
"4127614","10.3715","0.0002","32.6101","0.0007","14.2088","0.0003","90","","98.785","0.002","90","","4749.26","0.17","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H82 N6 O Sc2 -","- C45 H82 N6 O Sc2 -","- C180 H328 N24 O4 Sc8 -","4","1","","Lv, Ze-Jie; Huang, Zhe; Zhang, Wen-Xiong; Xi, Zhenfeng","Scandium-Promoted Direct Conversion of Dinitrogen into Hydrazine Derivatives via N-C Bond Formation.","Journal of the American Chemical Society","2019","141","22","8773","8777","10.1021/jacs.9b04293","","x-ray","0.71073","MoKα","","0.0749","0.0613","","","0.1412","0.1486","","","","","","1.056","","","","has coordinates,has disorder","220820","2020-10-21","18:00:00",""
"4127615","15.9736","0.0003","5.3198","0.0001","20.0252","0.0004","90","","96.278","0.002","90","","1691.46","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O2 S Se -","- C20 H16 O2 S Se -","- C80 H64 O8 S4 Se4 -","4","1","","Gao, Qingqing; Xiong, Ling-Hong; Han, Ting; Qiu, Zijie; He, Xuewen; Sung, Herman H. Y.; Kwok, Ryan T. K.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Three-Component Regio- and Stereoselective Polymerizations toward Functional Chalcogen-Rich Polymers with AIE-Activities.","Journal of the American Chemical Society","2019","141","37","14712","14719","10.1021/jacs.9b06493","","x-ray","1.54184","CuKα","","0.0303","0.0259","","","0.0593","0.0613","","","","","","1.029","","","","has coordinates,has disorder","220821","2020-10-21","18:00:00",""
"4127616","11.1215","0.0002","14.9694","0.0002","28.8591","0.0004","90","","90","","90","","4804.53","0.13","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 O2 S -","- C14 H10 O2 S -","- C224 H160 O32 S16 -","16","2","","Gao, Qingqing; Xiong, Ling-Hong; Han, Ting; Qiu, Zijie; He, Xuewen; Sung, Herman H. Y.; Kwok, Ryan T. K.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Three-Component Regio- and Stereoselective Polymerizations toward Functional Chalcogen-Rich Polymers with AIE-Activities.","Journal of the American Chemical Society","2019","141","37","14712","14719","10.1021/jacs.9b06493","","x-ray","1.54184","CuKα","","0.033","0.0293","","","0.0795","0.082","","","","","","1.011","","","","has coordinates","220822","2020-10-21","18:00:00",""
"4127617","6.067","0.0003","13.3231","0.0007","51.133","0.003","90","","90","","90","","4133.1","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","YJT_boariol_422","","","- C15 H26 O3 -","- C15 H26 O3 -","- C180 H312 O36 -","12","3","","Hu, Xirui; Musacchio, Andrew J.; Shen, Xingyu; Tao, Yujia; Maimone, Thomas J.","Allylative Approaches to the Synthesis of Complex Guaianolide Sesquiterpenes from Apiaceae and Asteraceae.","Journal of the American Chemical Society","2019","141","37","14904","14915","10.1021/jacs.9b08001","","","1.54178","CuKα","","0.1198","0.1102","","","0.2872","0.2935","","","","","","1.069","","","","has coordinates","220823","2020-10-21","18:00:00",""
"4127618","10.2586","0.0007","18.0776","0.0011","12.3309","0.0009","90","","101.266","0.003","90","","2242.7","0.3","100","","100.1","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Cl4 F Ir N O3 -","- C21 H23 Cl4 F Ir N O3 -","- C84 H92 Cl16 F4 Ir4 N4 O12 -","4","1","","Sorlin, Alexandre M.; Mixdorf, Jason C.; Rotella, Madeline E.; Martin, Robert T.; Gutierrez, Osvaldo; Nguyen, Hien M.","The Role of Trichloroacetimidate To Enable Iridium-Catalyzed Regio- and Enantioselective Allylic Fluorination: A Combined Experimental and Computational Study.","Journal of the American Chemical Society","2019","141","37","14843","14852","10.1021/jacs.9b07575","","","0.71073","MoKα","","0.0353","0.0235","","","0.0387","0.0409","","","","","","1.056","","","","has coordinates","220824","2020-10-21","18:00:00",""
"4127619","15.7232","0.0004","16.4364","0.0004","15.5875","0.0004","90","","99.011","0.001","90","","3978.6","0.17","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H104 N12 O16 Pd4 -","- C67 H104 N12 O16 Pd4 -","- C134 H208 N24 O32 Pd8 -","2","0.25","","Le, Ky Khac Anh; Nguyen, Hanh; Daugulis, Olafs","1-Aminopyridinium Ylides as Monodentate Directing Groups for sp<sup>3</sup> C-H Bond Functionalization.","Journal of the American Chemical Society","2019","141","37","14728","14735","10.1021/jacs.9b06643","","","1.54178","CuKα","","0.027","0.0261","","","0.0755","0.0767","","","","","","1.075","","","","has coordinates,has disorder","220825","2020-10-21","18:00:00",""
"4127620","15.2506","0.0017","12.5209","0.001","16.3061","0.0014","90","","105.075","0.01","90","","3006.5","0.5","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H69 F6 N7 O10 -","- C58 H69 F6 N7 O10 -","- C116 H138 F12 N14 O20 -","2","1","","Morimoto, Jumpei; Fukuda, Yasuhiro; Kuroda, Daisuke; Watanabe, Takumu; Yoshida, Fumihiko; Asada, Mizue; Nakamura, Toshikazu; Senoo, Akinobu; Nagatoishi, Satoru; Tsumoto, Kouhei; Sando, Shinsuke","A Peptoid with Extended Shape in Water.","Journal of the American Chemical Society","2019","141","37","14612","14623","10.1021/jacs.9b04371","","","0.71073","MoKα","","0.2153","0.0961","","","0.1938","0.2476","","","","","","0.996","","","","has coordinates","220826","2020-10-21","18:00:00",""
"4127621","20.3578","0.0007","15.3176","0.0005","19.7253","0.0006","90","","98.675","0.001","90","","6080.6","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H73 B4 F3 N4 O7 S -","- C61 H73 B4 F3 N4 O7 S -","- C244 H292 B16 F12 N16 O28 S4 -","4","0.5","","Brückner, Tobias; Stennett, Tom E.; Heß, Merlin; Braunschweig, Holger","Single and Double Hydroboration of B-B Triple Bonds and Convergent Routes to a Cationic Tetraborane.","Journal of the American Chemical Society","2019","141","37","14898","14903","10.1021/jacs.9b07991","","","0.71073","MoKα","","0.1095","0.1022","","","0.2562","0.2609","","","","","","1.101","","","","has coordinates,has disorder","220827","2020-10-21","18:00:00",""
"4127622","19.5024","0.0006","11.4232","0.0003","23.203","0.0007","90","","110.981","0.001","90","","4826.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H69 B3 N4 O2 -","- C54 H69 B3 N4 O2 -","- C216 H276 B12 N16 O8 -","4","1","","Brückner, Tobias; Stennett, Tom E.; Heß, Merlin; Braunschweig, Holger","Single and Double Hydroboration of B-B Triple Bonds and Convergent Routes to a Cationic Tetraborane.","Journal of the American Chemical Society","2019","141","37","14898","14903","10.1021/jacs.9b07991","","","0.71073","MoKα","","0.0536","0.0403","","","0.0962","0.1063","","","","","","1.042","","","","has coordinates","220828","2020-10-21","18:00:00",""
"4127623","10.3336","0.0004","12.7293","0.0005","13.7552","0.0006","100.879","0.002","108.559","0.002","113.05","0.001","1472.97","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H80 B4 N4 O4 -","- C66 H80 B4 N4 O4 -","- C66 H80 B4 N4 O4 -","1","0.5","","Brückner, Tobias; Stennett, Tom E.; Heß, Merlin; Braunschweig, Holger","Single and Double Hydroboration of B-B Triple Bonds and Convergent Routes to a Cationic Tetraborane.","Journal of the American Chemical Society","2019","141","37","14898","14903","10.1021/jacs.9b07991","","","0.71073","MoKα","","0.0523","0.0419","","","0.0935","0.1003","","","","","","1.042","","","","has coordinates","220829","2020-10-21","18:00:00",""
"4127624","14.771","0.0001","15.4918","0.0002","15.641","0.0002","61.452","0.001","68.229","0.001","67.388","0.001","2823.93","0.06","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C76 H80 Ag12 F18 N8 O12 S6 -","- C76 H80 Ag12 F18 N8 O12 S6 -","- C76 H80 Ag12 F18 N8 O12 S6 -","1","0.5","","Cao, Man; Pang, Rui; Wang, Qian-You; Han, Zhen; Wang, Zhao-Yang; Dong, Xi-Yan; Li, Shun-Fang; Zang, Shuang-Quan; Mak, Thomas C. W.","Porphyrinic Silver Cluster Assembled Material for Simultaneous Capture and Photocatalysis of Mustard-Gas Simulant.","Journal of the American Chemical Society","2019","141","37","14505","14509","10.1021/jacs.9b05952","","x-ray","1.54184","CuKα","","0.0395","0.0384","","","0.1016","0.1026","","","","","","1.057","","","","has coordinates,has disorder","220830","2020-10-21","18:00:00",""
"4127625","26.742","0.003","26.742","0.003","16.8667","0.0019","90","","90","","120","","10446","2","153","2","153","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C33 H15 Cl Fe3 N3 O19 -","- C33 H15 Cl Fe3 N3 O19 -","- C198 H90 Cl6 Fe18 N18 O114 -","6","0.5","","Song, Xiaohui; Zhang, Mingxing; Chen, Cong; Duan, Jingui; Zhang, Wenwei; Pan, Yi; Bai, Junfeng","Pure-Supramolecular-Linker Approach to Highly Connected Metal-Organic Frameworks for CO<sub>2</sub> Capture.","Journal of the American Chemical Society","2019","141","37","14539","14543","10.1021/jacs.9b07422","","","0.71073","MoKα","","0.2083","0.1338","","","0.3681","0.4121","","","","","","1.105","","","","has coordinates,has disorder","220831","2020-10-21","18:00:00",""
"4127626","27.121","0.008","27.121","0.008","17.508","0.006","90","","90","","120","","11153","6","153","2","153","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C35 H15 N3 O20 Sc3 -","- C35 H16 N3 O20 Sc3 -","- C210 H96 N18 O120 Sc18 -","6","0.5","","Song, Xiaohui; Zhang, Mingxing; Chen, Cong; Duan, Jingui; Zhang, Wenwei; Pan, Yi; Bai, Junfeng","Pure-Supramolecular-Linker Approach to Highly Connected Metal-Organic Frameworks for CO<sub>2</sub> Capture.","Journal of the American Chemical Society","2019","141","37","14539","14543","10.1021/jacs.9b07422","","","0.71073","MoKα","","0.1909","0.1623","","","0.4097","0.4305","","","","","","1.373","","","","has coordinates","220832","2020-10-21","18:00:00",""
"4127627","13.4604","0.0014","11.9775","0.0012","10.635","0.0011","90","","90","","90","","1714.6","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","","Chen, Ming; Dong, Guangbin","Copper-Catalyzed Desaturation of Lactones, Lactams, and Ketones under pH-Neutral Conditions.","Journal of the American Chemical Society","2019","141","37","14889","14897","10.1021/jacs.9b07932","","","0.71073","MoKα","","0.058","0.0388","","","0.0706","0.0772","","","","","","1.021","","","","has coordinates","220833","2020-10-21","18:00:00",""
"4127628","5.7511","0.0012","7.4747","0.0015","32.771","0.007","90","","90","","90","","1408.8","0.5","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Cl N O2 -","- C14 H18 Cl N O2 -","- C56 H72 Cl4 N4 O8 -","4","1","","Zhang, Qinglong; Yu, Huimin; Shen, Lulu; Tang, Tianhua; Dong, Dongfang; Chai, Weiwei; Zi, Weiwei","Stereodivergent Coupling of 1,3-Dienes with Aldimine Esters Enabled by Synergistic Pd and Cu Catalysis.","Journal of the American Chemical Society","2019","141","37","14554","14559","10.1021/jacs.9b07600","","","0.71073","MoKα","","0.0525","0.0453","","","0.0975","0.1022","","","","","","1.039","","","","has coordinates","220834","2020-10-21","18:00:00",""
"4127629","10.04","0.003","15.297","0.004","16.237","0.005","105.151","0.005","98.504","0.006","96.468","0.005","2350.5","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 N2 O -","- C33 H22 N2 O -","- C132 H88 N8 O4 -","4","2","","Chen, Wei; Guo, Chenxing; He, Qing; Chi, Xiaodong; Lynch, Vincent M.; Zhang, Zhiyun; Su, Jianhua; Tian, He; Sessler, Jonathan L.","Molecular Cursor Caliper: A Fluorescent Sensor for Dicarboxylate Dianions.","Journal of the American Chemical Society","2019","141","37","14798","14806","10.1021/jacs.9b07170","","","0.71073","MoKα","","0.1695","0.0679","","","0.1661","0.2225","","","","","","0.951","","","","has coordinates","220835","2020-10-21","18:00:00",""
"4127630","9.587","0.002","15.465","0.003","17.164","0.004","90","","102.394","0.004","90","","2485.5","0.9","140","2","140","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 N2 O2 -","- C34 H22 N2 O2 -","- C136 H88 N8 O8 -","4","1","","Chen, Wei; Guo, Chenxing; He, Qing; Chi, Xiaodong; Lynch, Vincent M.; Zhang, Zhiyun; Su, Jianhua; Tian, He; Sessler, Jonathan L.","Molecular Cursor Caliper: A Fluorescent Sensor for Dicarboxylate Dianions.","Journal of the American Chemical Society","2019","141","37","14798","14806","10.1021/jacs.9b07170","","","0.71073","MoKα","","0.158","0.0605","","","0.1102","0.1341","","","","","","0.867","","","","has coordinates","220836","2020-10-21","18:00:00",""
"4127631","10.2435","0.0006","20.2635","0.0012","21.1965","0.0011","107.827","0.005","90.675","0.005","97.043","0.005","4151.2","0.4","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C96 H110 N10 O8 -","- C96 H110 N10 O8 -","- C192 H220 N20 O16 -","2","1","","Chen, Wei; Guo, Chenxing; He, Qing; Chi, Xiaodong; Lynch, Vincent M.; Zhang, Zhiyun; Su, Jianhua; Tian, He; Sessler, Jonathan L.","Molecular Cursor Caliper: A Fluorescent Sensor for Dicarboxylate Dianions.","Journal of the American Chemical Society","2019","141","37","14798","14806","10.1021/jacs.9b07170","","","1.54184","CuKα","","0.1822","0.098","","","0.2445","0.3215","","","","","","1.026","","","","has coordinates,has disorder","220837","2020-10-21","18:00:00",""
"4127632","17.561","0.002","18.084","0.002","29.865","0.003","90","","90","","90","","9484.3","1.8","170","2","170.01","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C90 H124 Cl N2 Pd -","- C90 H124 Cl N2 Pd -","- C360 H496 Cl4 N8 Pd4 -","4","1","","Shen, Di; Xu, Youjun; Shi, Shi-Liang","A Bulky Chiral N-Heterocyclic Carbene Palladium Catalyst Enables Highly Enantioselective Suzuki-Miyaura Cross-Coupling Reactions for the Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2019","141","37","14938","14945","10.1021/jacs.9b08578","","","1.34139","GaKα","","0.1665","0.12","","","0.3163","0.3483","","","","","","1.102","","","","has coordinates","220838","2020-10-21","18:00:00",""
"4127633","12.4332","0.0004","19.3921","0.0006","19.9589","0.0006","90","","90","","90","","4812.2","0.3","170","2","169.96","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H59 Cl N2 Pd -","- C58 H59 Cl N2 Pd -","- C232 H236 Cl4 N8 Pd4 -","4","1","","Shen, Di; Xu, Youjun; Shi, Shi-Liang","A Bulky Chiral N-Heterocyclic Carbene Palladium Catalyst Enables Highly Enantioselective Suzuki-Miyaura Cross-Coupling Reactions for the Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2019","141","37","14938","14945","10.1021/jacs.9b08578","","","1.34139","GaKα","","0.0942","0.0599","","","0.1162","0.133","","","","","","1.034","","","","has coordinates","220839","2020-10-21","18:00:00",""
"4127634","7.5968","0.0002","8.4886","0.0002","27.1575","0.0005","90","","90","","90","","1751.28","0.07","170","2","169.98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C92 H80 O8 -","4","1","","Shen, Di; Xu, Youjun; Shi, Shi-Liang","A Bulky Chiral N-Heterocyclic Carbene Palladium Catalyst Enables Highly Enantioselective Suzuki-Miyaura Cross-Coupling Reactions for the Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2019","141","37","14938","14945","10.1021/jacs.9b08578","","","1.34139","GaKα","","0.0269","0.0264","","","0.0703","0.0707","","","","","","1.065","","","","has coordinates","220840","2020-10-21","18:00:00",""
"4127635","10.48643","0.00015","7.50634","0.00011","12.56284","0.00019","90","","91.0457","0.0013","90","","988.72","0.03","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl N -","- C23 H24 Cl N -","- C46 H48 Cl2 N2 -","2","1","","Tran, Gaël; Shao, Wen; Mazet, Clément","Ni-Catalyzed Enantioselective Intermolecular Hydroamination of Branched 1,3-Dienes Using Primary Aliphatic Amines.","Journal of the American Chemical Society","2019","141","37","14814","14822","10.1021/jacs.9b07253","","x-ray","1.54184","CuKα","","0.0298","0.0278","","","0.0705","0.0718","","","","","","1.033","","","","has coordinates","220841","2020-10-21","18:00:00",""
"4127636","12.405","","19.6581","","23.3427","","80.297","","82.671","","71.668","","5309.2","","296","","296","","","","","","","","","5","P 1","P 1","1","","","","- C57 H102 I21 N9 Pb6 -","- C57 H70.5 I21 N9 Pb6 -","- C114 H141 I42 N18 Pb12 -","2","2","","Huang, Po-Jung; Taniguchi, Kouji; Miyasaka, Hitoshi","Bulk Photovoltaic Effect in a Pair of Chiral-Polar Layered Perovskite-Type Lead Iodides Altered by Chirality of Organic Cations.","Journal of the American Chemical Society","2019","141","37","14520","14523","10.1021/jacs.9b06815","","","0.71073","MoKα","","0.1073","0.0859","","","0.1996","0.2164","","","","","","1.054","","","","has coordinates","220842","2020-10-21","18:00:00",""
"4127637","12.3924","0.0002","19.654","0.0004","23.3396","0.0006","80.405","0.002","82.793","0.002","71.672","0.0018","5304.5","0.2","103","","103","","","","","","","","","5","P 1","P 1","1","","","","- C57 H102 I21 N9 Pb6 -","- C57 H80 I21 N9 Pb6 -","- C114 H160 I42 N18 Pb12 -","2","2","","Huang, Po-Jung; Taniguchi, Kouji; Miyasaka, Hitoshi","Bulk Photovoltaic Effect in a Pair of Chiral-Polar Layered Perovskite-Type Lead Iodides Altered by Chirality of Organic Cations.","Journal of the American Chemical Society","2019","141","37","14520","14523","10.1021/jacs.9b06815","","","0.71073","MoKα","","0.097","0.0911","","","0.2369","0.2424","","","","","","1.078","","","","has coordinates","220843","2020-10-21","18:00:00",""
"4127638","10.7278","0.0006","6.6803","0.0004","14.4312","0.0009","90","","107.039","0.003","90","","988.81","0.1","170","2","170.02","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 Cl N2 O2 -","- C22 H21 Cl N2 O2 -","- C44 H42 Cl2 N4 O4 -","2","1","","Wang, Tian-Ci; Fan, Lian-Feng; Shen, Yang; Wang, Pu-Sheng; Gong, Liu-Zhu","Asymmetric Allylic C-H Alkylation of Allyl Ethers with 2-Acylimidazoles.","Journal of the American Chemical Society","2019","141","27","10616","10620","10.1021/jacs.9b05247","","","1.34139","GaKα","","0.0518","0.0478","","","0.1407","0.1465","","","","","","1.112","","","","has coordinates,has disorder","220844","2020-10-21","18:00:00",""
"4127639","20.2004","0.0007","13.0402","0.0004","27.5306","0.0008","90","","105.534","0.003","90","","6987.1","0.4","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H78 Cl4 N2 Ru2 -","- C76 H78 Cl4 N2 Ru2 -","- C304 H312 Cl16 N8 Ru8 -","4","1","","Nascimento, Daniel L.; Gawin, Anna; Gawin, Rafał; Guńka, Piotr A; Zachara, Janusz; Skowerski, Krzysztof; Fogg, Deryn E.","Integrating Activity with Accessibility in Olefin Metathesis: An Unprecedentedly Reactive Ruthenium-Indenylidene Catalyst.","Journal of the American Chemical Society","2019","141","27","10626","10631","10.1021/jacs.9b05362","","x-ray","0.71073","MoKα","","0.1068","0.0502","","","0.0875","0.1055","","","","","","0.962","","","","has coordinates,has disorder","220845","2020-10-21","18:00:00",""
"4127640","19.201","0.0017","8.8414","0.0005","37.707","0.003","90","","119.351","0.009","90","","5579.6","0.9","293","","293","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H106 I25 N11 Pb7 -","- C31 H106 I25 N11 Pb7 -","- C62 H212 I50 N22 Pb14 -","2","0.5","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.4073","0.0361","","","0.0817","0.2329","","","","0.99","0.99","0.32","","","","has coordinates","220846","2020-10-21","18:00:00",""
"4127641","45.276","0.002","8.8555","0.0003","19.1635","0.001","90","","113.372","0.004","90","","7053","0.6","293","","293","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H100 I32 N14 O Pb9 -","- C33.64 H132 I32 N9.98 O3.03 Pb9 -","- C67.28 H264 I64 N19.96 O6.06 Pb18 -","2","0.5","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.176","0.0894","","","0.1591","0.1736","","","","3.38","3.38","2.47","","","","has coordinates","220847","2020-10-21","18:00:00",""
"4127642","62.405","0.005","8.9358","0.0007","8.8712","0.0006","90","","92.947","0.006","90","","4940.4","0.6","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H38 I13 N5 Pb4 -","- C9 H38 I13 N5 Pb4 -","- C36 H152 I52 N20 Pb16 -","4","1","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.2447","0.1161","","","0.2277","0.246","","","","4.44","4.44","2.62","","","","has coordinates","220848","2020-10-21","18:00:00",""
"4127643","19.201","0.0017","8.8414","0.0005","37.707","0.003","90","","119.351","0.009","90","","5579.6","0.9","293","","293","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C32 H108 I25 N11 O Pb7 -","- C31 H106 I25 N11 O0.38 Pb7 -","- C62 H212 I50 N22 O0.76 Pb14 -","2","0.5","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.3456","0.0353","","","0.0783","0.2167","","","","0.96","0.96","0.3","","","","has coordinates","220849","2020-10-21","18:00:00",""
"4127644","24.1035","0.0005","8.798","0.0002","38.1538","0.0008","90","","94.4517","0.0012","90","","8066.6","0.3","293","","293","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H80 I18 N8 Pb5 -","- C24 H79 I18 N8 Pb5 -","- C96 H316 I72 N32 Pb20 -","4","1","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.054","0.0415","","","0.1092","0.1145","","","","3.1","3.1","2.92","","","","has coordinates","220850","2020-10-21","18:00:00",""
"4127645","24.1035","0.0005","8.798","0.0002","38.1538","0.0008","90","","94.4517","0.0012","90","","8066.6","0.3","293","","293","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H82 I18 N8 O Pb5 -","- C24 H79 I18 N8 O0.5 Pb5 -","- C96 H316 I72 N32 O2 Pb20 -","4","1","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","220851","2020-10-21","18:00:00",""
"4127646","45.276","0.002","8.8555","0.0003","19.1635","0.001","90","","113.372","0.004","90","","7053","0.6","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H100 I32 N14 Pb9 -","- C38 H132 I32 N14 Pb9 -","- C76 H264 I64 N28 Pb18 -","2","0.5","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.194","0.1077","","","0.1973","0.2113","","","","4.18","4.18","3","","","","has coordinates","220852","2020-10-21","18:00:00",""
"4127647","8.85","0.004","8.9262","0.0008","25.07","0.001","90","","96.474","0.011","90","","1967.8","0.9","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H32 I10 N4 Pb3 -","- C8 H32 I10 N4 Pb3 -","- C16 H64 I20 N8 Pb6 -","2","0.5","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.1256","0.0863","","","0.1802","0.182","","","","4.04","4.04","3.23","","","","has coordinates","220853","2020-10-21","18:00:00",""
"4127648","8.7915","0.0001","15.3917","0.0003","22.3423","0.0004","90","","90","","90","","3023.27","0.09","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H30 I7 N3 Pb2 -","- C9 H30 I7 N3 Pb2 -","- C36 H120 I28 N12 Pb8 -","4","1","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.0401","0.0268","","","0.0546","0.0585","","","","1.19","1.19","1.13","","","","has coordinates","220854","2020-10-21","18:00:00",""
"4127649","10.6867","0.0004","6.8041","0.0003","28.1524","0.0011","90","","90.724","0.001","90","","2046.89","0.14","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H29 B Br N O3 -","- C20 H29 B Br N O3 -","- C80 H116 B4 Br4 N4 O12 -","4","2","","Shi, Yongjia; Gao, Qian; Xu, Senmiao","Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Enantioselective C(sp<sup>3</sup>)-H Borylation of Cyclopropanes.","Journal of the American Chemical Society","2019","141","27","10599","10604","10.1021/jacs.9b04549","","","1.54178","CuKα","","0.0413","0.0412","","","0.104","0.1041","","","","","","1.091","","","","has coordinates","220855","2020-10-21","18:00:00",""
"4127650","8.9019","0.0017","17.903","0.003","18.664","0.003","90","","90","","90","","2974.5","0.9","150","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 B N3 O Si -","- C34 H34 B N3 O Si -","- C136 H136 B4 N12 O4 Si4 -","4","1","","Shi, Yongjia; Gao, Qian; Xu, Senmiao","Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Enantioselective C(sp<sup>3</sup>)-H Borylation of Cyclopropanes.","Journal of the American Chemical Society","2019","141","27","10599","10604","10.1021/jacs.9b04549","","","0.71073","MoKα","","0.0945","0.0568","","","0.1136","0.1276","","","","","","1.033","","","","has coordinates","220856","2020-10-21","18:00:00",""
"4127651","10.9883","0.0008","12.4073","0.0009","12.6777","0.001","108.158","0.002","99.978","0.003","105.441","0.003","1519.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1","","- C34 H33 F6 Mo N O2 -","- C34 H33 F6 Mo N O2 -","- C68 H66 F12 Mo2 N2 O4 -","2","1","","Ferreira, Marco A. B.; De Jesus Silva, Jordan; Grosslight, Samantha; Fedorov, Alexey; Sigman, Matthew S.; Copéret, Christophe","Noncovalent Interactions Drive the Efficiency of Molybdenum Imido Alkylidene Catalysts for Olefin Metathesis.","Journal of the American Chemical Society","2019","141","27","10788","10800","10.1021/jacs.9b04367","","x-ray","0.71073","MoKα","","0.0804","0.0698","","","0.2034","0.2108","","","","","","1.104","","","","has coordinates","220857","2020-10-21","18:00:00",""
"4127652","22.059","0.005","8.4388","0.0018","29.485","0.007","90","","106.994","0.015","90","","5249","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","kea020hydride","kea020hydride","","- C23 H33 B F4 Ir N2 O5 -","- C23 H33 B F4 Ir N2 O5 -","- C184 H264 B8 F32 Ir8 N16 O40 -","8","1","","Wright, Ashley M.; Pahls, Dale R.; Gary, J. Brannon; Warner, Theresa; Williams, Jacob Z.; M Knapp, Spring Melody; Allen, Kate E.; Landis, Clark R.; Cundari, Thomas R.; Goldberg, Karen I.","Experimental and Computational Investigation of the Aerobic Oxidation of a Late Transition Metal-Hydride.","Journal of the American Chemical Society","2019","141","27","10830","10843","10.1021/jacs.9b04706","","","0.71073","MoKα","","0.1082","0.0522","","","0.0807","0.0948","","","","","","1.025","","","","has coordinates","220858","2020-10-21","18:00:00",""
"4127653","9.4238","0.0004","9.9348","0.0004","11.8329","0.0005","94.067","0.003","97.043","0.003","98.806","0.003","1081.97","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H15 Cl3 S4 Sn W3 -","- C15 H15 Cl3 S4 Sn W3 -","- C30 H30 Cl6 S8 Sn2 W6 -","2","1","","Dornsiepen, Eike; Pieck, Fabian; Tonner, Ralf; Dehnen, Stefanie","[{(PhSn)<sub>3</sub>SnS<sub>6</sub>}{(MCp)<sub>3</sub>S<sub>4</sub>}] (M = W, Mo): Minimal Molecular Models of the Covalent Attachment of Metal Chalcogenide Clusters on Doped Transition Metal Dichalcogenide Layers.","Journal of the American Chemical Society","2019","141","41","16494","16500","10.1021/jacs.9b09209","","","1.54178","CuKα","","0.0644","0.0425","","","0.0979","0.102","","","","","","0.833","","","","has coordinates","220859","2020-10-21","18:00:00",""
"4127654","12.7792","0.0001","12.7792","0.0001","32.6497","0.0004","90","","90","","120","","4617.61","0.08","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C33 H30 Cl0 S10 Sn4 W3 -","- C33 H30 S10 Sn4 W3 -","- C132 H120 S40 Sn16 W12 -","4","0.333333","","Dornsiepen, Eike; Pieck, Fabian; Tonner, Ralf; Dehnen, Stefanie","[{(PhSn)<sub>3</sub>SnS<sub>6</sub>}{(MCp)<sub>3</sub>S<sub>4</sub>}] (M = W, Mo): Minimal Molecular Models of the Covalent Attachment of Metal Chalcogenide Clusters on Doped Transition Metal Dichalcogenide Layers.","Journal of the American Chemical Society","2019","141","41","16494","16500","10.1021/jacs.9b09209","","","1.54178","CuKα","","0.0604","0.0592","","","0.1578","0.1591","","","","","","1.066","","","","has coordinates","220860","2020-10-21","18:00:00",""
"4127655","12.9068","0.0001","12.9068","0.0001","32.3654","0.0004","90","","90","","120","","4669.27","0.08","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C33 H30 Cl Mo3 S9 Sn4 -","- C33 H30 Mo3 S10 Sn4 -","- C132 H120 Mo12 S40 Sn16 -","4","0.333333","","Dornsiepen, Eike; Pieck, Fabian; Tonner, Ralf; Dehnen, Stefanie","[{(PhSn)<sub>3</sub>SnS<sub>6</sub>}{(MCp)<sub>3</sub>S<sub>4</sub>}] (M = W, Mo): Minimal Molecular Models of the Covalent Attachment of Metal Chalcogenide Clusters on Doped Transition Metal Dichalcogenide Layers.","Journal of the American Chemical Society","2019","141","41","16494","16500","10.1021/jacs.9b09209","","","1.54178","CuKα","","0.0479","0.04","","","0.1059","0.1103","","","","","","1.005","","","","has coordinates","220861","2020-10-21","18:00:00",""
"4127656","7.8009","0.0007","41.745","0.003","14.4534","0.0012","90","","91.338","0.006","90","","4705.4","0.7","170","2","170.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H36 F6 O6 Ru S2 -","- C43 H36 F6 O6 Ru S2 -","- C172 H144 F24 O24 Ru4 S8 -","4","1","","Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe","π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.","Journal of the American Chemical Society","2019","141","41","16501","16511","10.1021/jacs.9b09582","","","1.34139","GaKα","","0.1684","0.1218","","","0.261","0.2863","","","","","","0.91","","","","has coordinates","220862","2020-10-21","18:00:00",""
"4127657","16.4023","0.0004","22.4936","0.0006","24.455","0.0006","90","","90","","90","","9022.6","0.4","170","2","170.01","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C71 H72 F18 O18 Ru3 S6 -","- C71 H72 F18 O18 Ru3 S6 -","- C284 H288 F72 O72 Ru12 S24 -","4","0.5","","Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe","π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.","Journal of the American Chemical Society","2019","141","41","16501","16511","10.1021/jacs.9b09582","","","1.34139","GaKα","","0.0729","0.0662","","","0.1924","0.1994","","","","","","1.032","","","","has coordinates,has disorder","220862","2020-10-21","18:00:00",""
"4127658","15.4626","0.0003","22.4905","0.0004","24.0086","0.0004","90","","90","","90","","8349.3","0.3","170","2","170.01","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C69 H72 B2 F20 O12 Ru3 S4 -","- C69 H72 B2 F20 O12 Ru3 S4 -","- C276 H288 B8 F80 O48 Ru12 S16 -","4","0.5","","Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe","π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.","Journal of the American Chemical Society","2019","141","41","16501","16511","10.1021/jacs.9b09582","","","1.34139","GaKα","","0.0823","0.0733","","","0.2135","0.2223","","","","","","1.047","","","","has coordinates,has disorder","220862","2020-10-21","18:00:00",""
"4127659","16.3814","0.0004","22.5055","0.0005","23.9817","0.0006","90","","90","","90","","8841.4","0.4","170","2","169.99","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C66 H69 F6 O22 Re4 Ru3 S2 -","- C66 H69 F6 O22 Re4 Ru3 S2 -","- C264 H276 F24 O88 Re16 Ru12 S8 -","4","0.5","","Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe","π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.","Journal of the American Chemical Society","2019","141","41","16501","16511","10.1021/jacs.9b09582","","","1.34139","GaKα","","0.125","0.1162","","","0.2779","0.2843","","","","","","1.209","","","","has coordinates,has disorder","220862","2020-10-21","18:00:00",""
"4127660","18.278","0.0014","20.6817","0.0018","22.704","0.002","89.892","0.005","76","0.005","86.719","0.005","8313.3","1.2","160","2","160.62","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H72 N6 O18 Ru3 -","- C65 H72 N6 O18 Ru3 -","- C260 H288 N24 O72 Ru12 -","4","2","","Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe","π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.","Journal of the American Chemical Society","2019","141","41","16501","16511","10.1021/jacs.9b09582","","","1.34139","GaKα","","0.2437","0.1376","","","0.3663","0.4491","","","","","","1.112","","","","has coordinates","220862","2020-10-21","18:00:00",""
"4127661","16.2763","0.0006","22.5468","0.0007","24.1052","0.0008","90","","90","","90","","8846.1","0.5","170","2","169.99","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C70.5 H72 Cl0.5 F16.5 O18.5 Ru3 S5.5 -","- C70.5 H72 Cl0.5 F16.5 O18.5 Ru3 S5.5 -","- C282 H288 Cl2 F66 O74 Ru12 S22 -","4","0.5","","Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe","π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.","Journal of the American Chemical Society","2019","141","41","16501","16511","10.1021/jacs.9b09582","","","1.34139","GaKα","","0.0709","0.0648","","","0.1961","0.2037","","","","","","1.027","","","","has coordinates,has disorder","220862","2020-10-21","18:00:00",""
"4127662","31.6033","0.0008","15.2402","0.0002","32.1689","0.0007","90","","115.041","0.003","90","","14037.5","0.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H74 Cl3 F18 N6 O Sb3 -","- C69 H74 Cl3 F18 N6 O Sb3 -","- C552 H592 Cl24 F144 N48 O8 Sb24 -","8","2","","Oki, Kosuke; Takase, Masayoshi; Mori, Shigeki; Uno, Hidemitsu","Synthesis and Isolation of Antiaromatic Expanded Azacoronene via Intramolecular Vilsmeier-Type Reaction.","Journal of the American Chemical Society","2019","141","41","16255","16259","10.1021/jacs.9b09260","","","0.71073","MoKα","","0.1054","0.0647","","","0.1329","0.1505","","","","","","1.024","","","","has coordinates,has disorder","220863","2020-10-21","18:00:00",""
"4127663","13.0245","0.0003","15.0943","0.0003","29.3272","0.0006","90","","90","","90","","5765.6","0.2","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C68 H73 F6 N6 O Sb -","- C68 H73 F6 N6 O Sb -","- C272 H292 F24 N24 O4 Sb4 -","4","1","","Oki, Kosuke; Takase, Masayoshi; Mori, Shigeki; Uno, Hidemitsu","Synthesis and Isolation of Antiaromatic Expanded Azacoronene via Intramolecular Vilsmeier-Type Reaction.","Journal of the American Chemical Society","2019","141","41","16255","16259","10.1021/jacs.9b09260","","","0.71073","MoKα","","0.0597","0.0476","","","0.0934","0.0981","","","","","","1.037","","","","has coordinates,has disorder","220864","2020-10-21","18:00:00",""
"4127664","8.6148","0.0002","14.8424","0.0004","10.8526","0.0003","90","","95.383","0.001","90","","1381.54","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","2","","Deng, Lin; Fu, Yue; Lee, Siu Yin; Wang, Chengpeng; Liu, Peng; Dong, Guangbin","Kinetic Resolution via Rh-Catalyzed C-C Activation of Cyclobutanones at Room Temperature.","Journal of the American Chemical Society","2019","141","41","16260","16265","10.1021/jacs.9b09344","","","1.54178","CuKα","","0.0339","0.0319","","","0.0786","0.0798","","","","","","1.047","","","","has coordinates","220865","2020-10-21","18:00:00",""
"4127665","10.5327","0.0001","12.8053","0.0001","22.0965","0.0002","90","","90","","90","","2980.25","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H48 O7 Si2 -","- C25 H48 O7 Si2 -","- C100 H192 O28 Si8 -","4","1","","Ji, Yang; Xin, Zhengyuan; He, Haibing; Gao, Shuanhu","Total Synthesis of Viridin and Viridiol.","Journal of the American Chemical Society","2019","141","41","16208","16212","10.1021/jacs.9b08577","","x-ray","1.54184","CuKα","","0.0293","0.0291","","","0.0736","0.0738","","","","","","1.04","","","","has coordinates","220866","2020-10-21","18:00:00",""
"4127666","8.963","0.005","12.759","0.007","17.763","0.01","91.17","0.007","95.778","0.006","99.491","0.01","1992","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O5 S -","- C20 H20 N2 O5 S -","- C80 H80 N8 O20 S4 -","4","2","","Zou, Hanxun; Hai, Yu; Ye, Hebo; You, Lei","Dynamic Covalent Switches and Communicating Networks for Tunable Multicolor Luminescent Systems and Vapor-Responsive Materials.","Journal of the American Chemical Society","2019","141","41","16344","16353","10.1021/jacs.9b07175","","","0.71073","MoKα","","0.1555","0.0897","","","0.2049","0.2396","","","","","","1.114","","","","has coordinates","220867","2020-10-21","18:00:00",""
"4127667","7.934","0.009","8.791","0.011","15.84","0.02","83.41","0.06","85.5","0.07","64.24","0.04","988","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N2 O6 S -","- C22 H18 N2 O6 S -","- C44 H36 N4 O12 S2 -","2","1","","Zou, Hanxun; Hai, Yu; Ye, Hebo; You, Lei","Dynamic Covalent Switches and Communicating Networks for Tunable Multicolor Luminescent Systems and Vapor-Responsive Materials.","Journal of the American Chemical Society","2019","141","41","16344","16353","10.1021/jacs.9b07175","","","0.71073","MoKα","","0.2163","0.1051","","","0.2036","0.2649","","","","","","1.031","","","","has coordinates","220867","2020-10-21","18:00:00",""
"4127668","7.4153","0.0005","9.9309","0.0006","12.3718","0.0007","92.686","0.005","96.211","0.005","90.945","0.005","904.51","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N2 O5 S2 -","- C19 H18 N2 O5 S2 -","- C38 H36 N4 O10 S4 -","2","1","","Zou, Hanxun; Hai, Yu; Ye, Hebo; You, Lei","Dynamic Covalent Switches and Communicating Networks for Tunable Multicolor Luminescent Systems and Vapor-Responsive Materials.","Journal of the American Chemical Society","2019","141","41","16344","16353","10.1021/jacs.9b07175","","","1.54178","CuKα","","0.0463","0.0393","","","0.0929","0.0972","","","","","","1","","","","has coordinates,has disorder","220867","2020-10-21","18:00:00",""
"4127669","6.082","0.004","8.299","0.007","20.852","0.015","90","","97.49","0.02","90","","1043.5","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H20 N4 O5 -","- C25 H20 N4 O5 -","- C50 H40 N8 O10 -","2","1","","Thanzeel, F. Yushra; Sripada, Archita; Wolf, Christian","Quantitative Chiroptical Sensing of Free Amino Acids, Biothiols, Amines, and Amino Alcohols with an Aryl Fluoride Probe.","Journal of the American Chemical Society","2019","141","41","16382","16387","10.1021/jacs.9b07588","","x-ray","0.71073","MoKα","","0.04","0.0346","","","0.0824","0.0842","","","","","","1.046","","","","has coordinates","220868","2020-10-21","18:00:00",""
"4127670","6.2521","0.0015","7.8349","0.0019","24.818","0.006","90","","93.763","0.003","90","","1213.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F N3 O5 -","- C13 H8 F N3 O5 -","- C52 H32 F4 N12 O20 -","4","1","","Thanzeel, F. Yushra; Sripada, Archita; Wolf, Christian","Quantitative Chiroptical Sensing of Free Amino Acids, Biothiols, Amines, and Amino Alcohols with an Aryl Fluoride Probe.","Journal of the American Chemical Society","2019","141","41","16382","16387","10.1021/jacs.9b07588","","","0.71073","MoKα","","0.0332","0.032","","","0.0876","0.0888","","","","","","1.032","","","","has coordinates","220869","2020-10-21","18:00:00",""
"4127671","7.7036","0.0001","6.1633","0.0001","15.5653","0.0002","90","","90.67","0.001","90","","738.984","0.018","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S,3aR,9bS)-9-Methoxy-1-phenyl-3a,4,5,9b-tetrahydronaphtho[2,1-b]furan-2(1H)-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0531","0.0527","","","0.1368","0.1375","","","","","","1.109","","","","has coordinates","220870","2020-10-21","18:00:00",""
"4127672","36.2576","0.0004","14.34286","0.00013","34.8216","0.0004","90","","108.398","0.0011","90","","17183","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C143 H130 I12 N24 O10 Zn6 -","- C143 H130 I12 N24 O10 Zn6 -","- C572 H520 I48 N96 O40 Zn24 -","4","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","","1.54184","CuKα","","0.075","0.0733","","","0.2075","0.2096","","","","","","1.083","","","","has coordinates,has disorder","220871","2020-10-21","18:00:00",""
"4127673","5.0322","0.0001","13.0715","0.0002","16.2633","0.0002","90","","90","","90","","1069.77","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3R,3aS,9bR)-3-methyl-3a,4,5,9b-tetrahydronaphtho[1,2-b]furan-2(3H)-one","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0319","0.0309","","","0.0852","0.0861","","","","","","1.096","","","","has coordinates","220872","2020-10-21","18:00:00",""
"4127674","5.662","0.008","11.423","0.015","11.586","0.016","90","","101.932","0.019","90","","733.2","1.7","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Cl O2 -","- C18 H15 Cl O2 -","- C36 H30 Cl2 O4 -","2","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","","0.71075","MoKα","","","0.0505","","","","0.1213","","","","","","1.01","","","","has coordinates","220873","2020-10-21","18:00:00",""
"4127675","36.27","0.0003","14.5028","0.0001","34.6393","0.0003","90","","109.143","0.001","90","","17213.3","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C104 H84 I12 N24 O4 Zn6 -","- C104 H84 I12 N24 O4 Zn6 -","- C416 H336 I48 N96 O16 Zn24 -","4","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","","1.54184","CuKα","","0.0836","0.0798","","","0.2224","0.2317","","","","","","1.042","","","","has coordinates,has disorder","220874","2020-10-21","18:00:00",""
"4127676","7.7957","0.0001","13.9632","0.0002","9.8653","0.0002","90","","106.276","0.002","90","","1030.83","0.03","99.98","0.1","99.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,3aR,9bS)-1-methyl-3a,4,5,9b-tetrahydronaphtho[2,1-b]furan-2(1H)-one","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","2","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0442","0.0431","","","0.114","0.1159","","","","","","1.025","","","","has coordinates","220875","2020-10-21","18:00:00",""
"4127677","6.74007","0.00004","24.03214","0.00017","8.74986","0.00006","90","","91.2367","0.0006","90","","1416.96","0.016","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,3aS,9bR)-8-chloro-3-phenyl-3a,4,5,9b-tetrahydronaphtho[1,2-b]furan-2(3H)-one","","- C18 H15 Cl O2 -","- C18 H15 Cl O2 -","- C72 H60 Cl4 O8 -","4","2","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0272","0.0264","","","0.0694","0.0702","","","","","","1.036","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4127678","8.342","0.003","8.299","0.003","10.721","0.004","90","","101.619","0.004","90","","727","0.5","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C36 H30 Br2 O4 -","2","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","","0.71075","MoKα","","0.0393","0.0386","","","0.0958","0.0963","","","","","","1","","","","has coordinates","220877","2020-10-21","18:00:00",""
"4127679","4.9886","0.0001","7.7361","0.0001","26.4469","0.0004","90","","90","","90","","1020.65","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aS,9bR)-8-chloro-3a,4,5,9b-tetrahydronaphtho[1,2-b]furan-2(3H)-one","","- C12 H11 Cl O2 -","- C12 H11 Cl O2 -","- C48 H44 Cl4 O8 -","4","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0335","0.0322","","","0.102","0.1057","","","","","","0.94","","","","has coordinates","220878","2020-10-21","18:00:00",""
"4127680","5.0178","0.0015","12.447","0.004","16.893","0.005","90","","90","","90","","1055.1","0.6","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Br O2 -","- C12 H11 Br O2 -","- C48 H44 Br4 O8 -","4","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","","0.71075","MoKα","","","0.0462","","","","0.1044","","","","","","1","","","","has coordinates","220879","2020-10-21","18:00:00",""
"4127681","9.834","0.0002","5.8505","0.0001","12.9552","0.0002","90","","102.401","0.002","90","","727.97","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,3aS,9bR)-8-methoxy-1-phenyl-3a,4,5,9b-tetrahydronaphtho[2,1-b]furan-2(1H)-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0409","0.0396","","","0.106","0.1082","","","","","","1.063","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4127682","9.4855","0.0013","13.9062","0.0019","24.919","0.003","90","","90","","90","","3287","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H37 N O4 -","- C43 H37 N O4 -","- C172 H148 N4 O16 -","4","1","","Wu, Mingyue; Han, Zhaobin; Li, Kaizhi; Wu, Ji'en; Ding, Kuiling; Lu, Yixin","Cyclohexyl-Fused, Spirobiindane-Derived, Phosphine-Catalyzed Synthesis of Tricyclic γ-Lactams and Kinetic Resolution of γ-Substituted Allenoates.","Journal of the American Chemical Society","2019","141","41","16362","16373","10.1021/jacs.9b07418","","","1.54178","CuKα","","0.0253","0.0252","","","0.0625","0.0626","","","","","","1.037","","","","has coordinates","220881","2020-10-21","18:00:00",""
"4127683","14.3292","0.0005","11.8411","0.0005","16.1689","0.0006","90","","91.429","0.003","90","","2742.58","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 N2 O2 P2 Ru -","- C25 H44 N2 O2 P2 Ru -","- C100 H176 N8 O8 P8 Ru4 -","4","1","","Bruffaerts, Jeffrey; von Wolff, Niklas; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Formamides as Isocyanate Surrogates: A Mechanistically Driven Approach to the Development of Atom-Efficient, Selective Catalytic Syntheses of Ureas, Carbamates, and Heterocycles.","Journal of the American Chemical Society","2019","141","41","16486","16493","10.1021/jacs.9b08942","","","0.71073","MoKα","","0.0331","0.0244","","","0.0528","0.055","","","","","","1.035","","","","has coordinates","220882","2020-10-21","18:00:00",""
"4127684","12.8308","0.0004","15.2238","0.0005","16.2881","0.0006","90","","99.554","0.003","90","","3137.48","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H51 N3 O3 P2 Ru -","- C28 H51 N3 O3 P2 Ru -","- C112 H204 N12 O12 P8 Ru4 -","4","1","","Bruffaerts, Jeffrey; von Wolff, Niklas; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Formamides as Isocyanate Surrogates: A Mechanistically Driven Approach to the Development of Atom-Efficient, Selective Catalytic Syntheses of Ureas, Carbamates, and Heterocycles.","Journal of the American Chemical Society","2019","141","41","16486","16493","10.1021/jacs.9b08942","","","0.71073","MoKα","","0.0337","0.0269","","","0.0657","0.0684","","","","","","1.028","","","","has coordinates","220882","2020-10-21","18:00:00",""
"4127685","19.5466","0.0009","10.6601","0.0003","16.5688","0.0007","90","","112.086","0.005","90","","3199.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 N2 O2 P2 Ru -","- C32 H50 N2 O2 P2 Ru -","- C128 H200 N8 O8 P8 Ru4 -","4","1","","Bruffaerts, Jeffrey; von Wolff, Niklas; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Formamides as Isocyanate Surrogates: A Mechanistically Driven Approach to the Development of Atom-Efficient, Selective Catalytic Syntheses of Ureas, Carbamates, and Heterocycles.","Journal of the American Chemical Society","2019","141","41","16486","16493","10.1021/jacs.9b08942","","","0.71073","MoKα","","0.0272","0.0218","","","0.0508","0.0524","","","","","","1.032","","","","has coordinates","220882","2020-10-21","18:00:00",""
"4127686","15.4802","0.0005","20.4445","0.0005","14.8005","0.0004","90","","102.362","0.001","90","","4575.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H49 Cl4 F6 Sb -","- C50 H49 Cl4 F6 Sb -","- C200 H196 Cl16 F24 Sb4 -","4","1","","Li, Zhengtao; Gopalakrishna, Tullimilli Y.; Han, Yi; Gu, Yanwei; Yuan, Liu; Zeng, Wangdong; Casanova, David; Wu, Jishan","[6]Cyclo-<i>para</i>-phenylmethine: An Analog of Benzene Showing Global Aromaticity and Open-Shell Diradical Character.","Journal of the American Chemical Society","2019","141","41","16266","16270","10.1021/jacs.9b09780","","","0.71073","MoKα","","0.0835","0.075","","","0.2247","0.2346","","","","","","1.056","","","","has coordinates","220883","2020-10-21","18:00:00",""
"4127687","19.435","0.002","26.395","0.003","10.1346","0.0011","90","","90.369","0.005","90","","5198.8","1","100","2","100","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- C48 H45 -","- C48 H45 -","- C192 H180 -","4","0.5","","Li, Zhengtao; Gopalakrishna, Tullimilli Y.; Han, Yi; Gu, Yanwei; Yuan, Liu; Zeng, Wangdong; Casanova, David; Wu, Jishan","[6]Cyclo-<i>para</i>-phenylmethine: An Analog of Benzene Showing Global Aromaticity and Open-Shell Diradical Character.","Journal of the American Chemical Society","2019","141","41","16266","16270","10.1021/jacs.9b09780","","","1.54178","CuKα","","0.1036","0.0941","","","0.269","0.2811","","","","","","1.056","","","","has coordinates","220884","2020-10-21","18:00:00",""
"4127688","13.3231","0.0007","9.9116","0.0006","14.2356","0.0007","90","","104.338","0.003","90","","1821.3","0.17","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N4 O2 -","- C19 H20 N4 O2 -","- C76 H80 N16 O8 -","4","1","","Wu, Zhi-Chen; Boger, Dale L.","Synthesis, Characterization, and Cycloaddition Reactivity of a Monocyclic Aromatic 1,2,3,5-Tetrazine.","Journal of the American Chemical Society","2019","141","41","16388","16397","10.1021/jacs.9b07744","","x-ray","0.71073","MoKα","","0.0793","0.0474","","","0.0984","0.1116","","","","","","1.013","","","","has coordinates","220885","2020-10-21","18:00:00",""
"4127689","13.2215","0.0004","31.0295","0.0007","14.57","0.0004","90","","115.207","0.001","90","","5408.2","0.3","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H33 Cl3 N16 O16 -","- C53 H33 Cl3 N16 O16 -","- C212 H132 Cl12 N64 O64 -","4","1","","Wu, Zhi-Chen; Boger, Dale L.","Synthesis, Characterization, and Cycloaddition Reactivity of a Monocyclic Aromatic 1,2,3,5-Tetrazine.","Journal of the American Chemical Society","2019","141","41","16388","16397","10.1021/jacs.9b07744","","x-ray","0.71073","MoKα","","0.07","0.0496","","","0.1173","0.1285","","","","","","1.02","","","","has coordinates,has disorder","220886","2020-10-21","18:00:00",""
"4127690","3.8362","0.0005","13.7755","0.0018","20.821","0.002","90","","90","","90","","1100.3","0.2","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C56 H40 N16 -","4","1","","Wu, Zhi-Chen; Boger, Dale L.","Synthesis, Characterization, and Cycloaddition Reactivity of a Monocyclic Aromatic 1,2,3,5-Tetrazine.","Journal of the American Chemical Society","2019","141","41","16388","16397","10.1021/jacs.9b07744","","x-ray","0.71073","MoKα","","0.0825","0.0475","","","0.0842","0.0949","","","","","","1.002","","","","has coordinates","220887","2020-10-21","18:00:00",""
"4127691","10.8681","0.0011","14.2652","0.0014","18.7149","0.0019","90","","105.731","0.001","90","","2792.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H74 Cl4 N6 O8 Rh2 -","- C54 H74 Cl4 N6 O8 Rh2 -","- C108 H148 Cl8 N12 O16 Rh4 -","2","0.5","","Das, Anuvab; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","Characterization of a Reactive Rh<sub>2</sub> Nitrenoid by Crystalline Matrix Isolation.","Journal of the American Chemical Society","2019","141","41","16232","16236","10.1021/jacs.9b09064","","x-ray","0.24796","synchrotron","","0.0327","0.0257","","","0.0619","0.0659","","","","","","1.025","","","","has coordinates","220888","2020-10-21","18:00:00",""
"4127692","11.0301","0.0019","14.251","0.002","18.763","0.003","90","","107.025","0.002","90","","2820.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H76 Cl4 N6 O8 Rh2 -","- C54 H74 Cl4 N6 O8 Rh2 -","- C108 H148 Cl8 N12 O16 Rh4 -","2","0.5","","Das, Anuvab; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","Characterization of a Reactive Rh<sub>2</sub> Nitrenoid by Crystalline Matrix Isolation.","Journal of the American Chemical Society","2019","141","41","16232","16236","10.1021/jacs.9b09064","","x-ray","0.24796","synchrotron","","0.0398","0.0308","","","0.0746","0.0792","","","","","","1.05","","","","has coordinates,has disorder","220888","2020-10-21","18:00:00",""
"4127693","19.6255","0.001","21.4629","0.001","22.5422","0.0011","90","","109.875","0.002","90","","8929.7","0.8","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C172 H230 Cl12 N4 O36 Rh8 -","- C172 H230 Cl12 N4 O36 Rh8 -","- C344 H460 Cl24 N8 O72 Rh16 -","2","0.5","","Das, Anuvab; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","Characterization of a Reactive Rh<sub>2</sub> Nitrenoid by Crystalline Matrix Isolation.","Journal of the American Chemical Society","2019","141","41","16232","16236","10.1021/jacs.9b09064","","x-ray","0.71073","MoKα","","0.0729","0.0541","","","0.096","0.1024","","","","","","1.154","","","","has coordinates","220888","2020-10-21","18:00:00",""
"4127694","11.721","0.0009","14.0235","0.001","40.538","0.003","90","","90","","90","","6663.2","0.9","110","2","110","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C71 H72 Cl2 N2 O8 Rh2 -","- C71 H72 Cl2 N2 O8 Rh2 -","- C284 H288 Cl8 N8 O32 Rh8 -","4","0.5","","Das, Anuvab; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","Characterization of a Reactive Rh<sub>2</sub> Nitrenoid by Crystalline Matrix Isolation.","Journal of the American Chemical Society","2019","141","41","16232","16236","10.1021/jacs.9b09064","","x-ray","0.71073","MoKα","","0.0384","0.0366","","","0.082","0.0828","","","","","","1.245","","","","has coordinates","220888","2020-10-21","18:00:00",""
"4127695","11.0301","0.0019","14.251","0.002","18.763","0.003","90","","107.025","0.002","90","","2820.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H74 Cl4 N6 O8 Rh2 -","- C54 H74 Cl4 N6 O8 Rh2 -","- C108 H148 Cl8 N12 O16 Rh4 -","2","0.5","","Das, Anuvab; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","Characterization of a Reactive Rh<sub>2</sub> Nitrenoid by Crystalline Matrix Isolation.","Journal of the American Chemical Society","2019","141","41","16232","16236","10.1021/jacs.9b09064","","x-ray","0.33062","synchrotron","","0.0676","0.0481","","","0.123","0.135","","","","","","1.023","","","","has coordinates,has disorder","220888","2020-10-21","18:00:00",""
"4127696","23.1927","0.0009","6.0161","0.0002","27.2923","0.0009","90","","100.314","0.003","90","","3746.6","0.2","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C22 H27 F3 O -","- C22 H27 F3 O -","- C176 H216 F24 O8 -","8","1","","Huang, David; Olivieri, Diego; Sun, Yang; Zhang, Pengpeng; Newhouse, Timothy R.","Nickel-Catalyzed Difunctionalization of Unactivated Alkenes Initiated by Unstabilized Enolates.","Journal of the American Chemical Society","2019","141","41","16249","16254","10.1021/jacs.9b09245","","","1.54184","CuKα","","0.0594","0.044","","","0.1045","0.1136","","","","","","1.046","","","","has coordinates,has disorder","220889","2020-10-21","18:00:00",""
"4127697","8.2266","0.0002","9.0595","0.0002","24.4559","0.0006","90","","90","","90","","1822.67","0.07","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 F3 O -","- C21 H25 F3 O -","- C84 H100 F12 O4 -","4","1","","Huang, David; Olivieri, Diego; Sun, Yang; Zhang, Pengpeng; Newhouse, Timothy R.","Nickel-Catalyzed Difunctionalization of Unactivated Alkenes Initiated by Unstabilized Enolates.","Journal of the American Chemical Society","2019","141","41","16249","16254","10.1021/jacs.9b09245","","","1.54184","CuKα","","0.0458","0.0422","","","0.1086","0.1117","","","","","","1.051","","","","has coordinates","220890","2020-10-21","18:00:00",""
"4127698","14.0153","0.0003","11.1661","0.0003","19.0586","0.0005","90","","90","","90","","2982.6","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H46 B2 N2 O4 -","- C30 H46 B2 N2 O4 -","- C120 H184 B8 N8 O16 -","4","0.5","","Oeschger, Raphael J.; Larsen, Matthew A.; Bismuto, Alessandro; Hartwig, John F.","Origin of the Difference in Reactivity between Ir Catalysts for the Borylation of C-H Bonds.","Journal of the American Chemical Society","2019","141","41","16479","16485","10.1021/jacs.9b08920","","","1.54184","CuKα","","0.0645","0.056","","","0.1595","0.1665","","","","","","1.056","","","","has coordinates","220891","2020-10-21","18:00:00",""
"4127699","7.9812","0.0016","12.549","0.003","12.711","0.003","63.35","0.03","73.51","0.03","83.41","0.03","1090.9","0.5","90","2","90.15","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 N2 O5 -","- C10 H12 N2 O5 -","- C40 H48 N8 O20 -","4","2","","Lengyel, Jeff; Wang, Xiaoping; Choi, Eun Sang; Besara, Tiglet; Schönemann, Rico; Ramakrishna, Sanath Kumar; Holleman, Jade; Blockmon, Avery L.; Hughey, Kendall D.; Liu, Tianhan; Hudis, Jacob; Beery, Drake; Balicas, Luis; McGill, Stephen A.; Hanson, Kenneth; Musfeldt, Janice L.; Siegrist, Theo; Dalal, Naresh S.; Shatruk, Michael","Antiferroelectric Phase Transition in a Proton-Transfer Salt of Squaric Acid and 2,3-Dimethylpyrazine.","Journal of the American Chemical Society","2019","141","41","16279","16287","10.1021/jacs.9b04473","","","0.6","neutrons","","0.0844","0.0842","","","0.2003","0.2005","","","","","","1.339","","","","has coordinates","220892","2020-10-21","18:00:00",""
"4127700","6.721","0.004","7.967","0.004","10.75","0.006","76.398","0.005","89.55","0.006","80.515","0.006","551.5","0.5","230","","230","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 N2 O5 -","- C10 H12 N2 O5 -","- C20 H24 N4 O10 -","2","1","","Lengyel, Jeff; Wang, Xiaoping; Choi, Eun Sang; Besara, Tiglet; Schönemann, Rico; Ramakrishna, Sanath Kumar; Holleman, Jade; Blockmon, Avery L.; Hughey, Kendall D.; Liu, Tianhan; Hudis, Jacob; Beery, Drake; Balicas, Luis; McGill, Stephen A.; Hanson, Kenneth; Musfeldt, Janice L.; Siegrist, Theo; Dalal, Naresh S.; Shatruk, Michael","Antiferroelectric Phase Transition in a Proton-Transfer Salt of Squaric Acid and 2,3-Dimethylpyrazine.","Journal of the American Chemical Society","2019","141","41","16279","16287","10.1021/jacs.9b04473","","","0.6","neutrons","","0.0788","0.078","","","0.1789","0.1793","","","","","","1.169","","","","has coordinates,has disorder","220894","2020-10-21","18:00:00",""
"4127701","8.9726","0.0019","17.601","0.003","12.768","0.003","90","","93.916","0.019","90","","2011.7","0.7","193","2","193","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","6,14-bis(2,6-dimethylphenyl)dibenzo[hi,st]ovalene","","- C54 H32 -","- C54 H32 -","- C108 H64 -","2","0.5","","Chen, Qiang; Thoms, Stefan; Stöttinger, Sven; Schollmeyer, Dieter; Müllen, Klaus; Narita, Akimitsu; Basché, Thomas","Dibenzo[<i>hi</i>,<i>st</i>]ovalene as Highly Luminescent Nanographene: Efficient Synthesis via Photochemical Cyclodehydroiodination, Optoelectronic Properties, and Single-Molecule Spectroscopy.","Journal of the American Chemical Society","2019","141","41","16439","16449","10.1021/jacs.9b08320","","","0.71073","MoKα","","0.4114","0.254","","","0.5643","0.6393","","","","","","1.597","","","","has coordinates","220895","2020-10-21","18:00:00",""
"4127702","24.2958","0.0005","17.0876","0.0002","24.361","0.0003","90","","90","","90","","10113.6","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5,14-diformylbenzo[a]dinaphtho[2,1,8-cde:1',2',3',4'-ghi]perylene","","- C40 H21 N O2 -","- C40 H21 N O2 -","- C640 H336 N16 O32 -","16","2","","Chen, Qiang; Thoms, Stefan; Stöttinger, Sven; Schollmeyer, Dieter; Müllen, Klaus; Narita, Akimitsu; Basché, Thomas","Dibenzo[<i>hi</i>,<i>st</i>]ovalene as Highly Luminescent Nanographene: Efficient Synthesis via Photochemical Cyclodehydroiodination, Optoelectronic Properties, and Single-Molecule Spectroscopy.","Journal of the American Chemical Society","2019","141","41","16439","16449","10.1021/jacs.9b08320","","","0.71073","MoKα","","0.1134","0.0878","","","0.1855","0.1999","","","","","","1.153","","","","has coordinates","220896","2020-10-21","18:00:00",""
"4127703","12.3464","0.0006","23.8926","0.0011","10.3661","0.0005","90","","109.61","0.003","90","","2880.5","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N4 O6 S2 -","- C23 H30 N4 O6 S2 -","- C92 H120 N16 O24 S8 -","4","1","","Huang, Hanchu; Wang, Wenqi; Zhou, Zefeng; Sun, Bohan; An, Meirui; Haeffner, Fredrik; Niu, Jia","Radical Ring-Closing/Ring-Opening Cascade Polymerization.","Journal of the American Chemical Society","2019","141","32","12493","12497","10.1021/jacs.9b05568","","","1.54178","CuKα","","0.0672","0.0565","","","0.1592","0.1709","","","","","","1.032","","","","has coordinates,has disorder","220897","2020-10-21","18:00:00",""
"4127704","11.7701","0.0009","17.5799","0.0014","25.634","0.002","90","","90","","90","","5304.1","0.7","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C42.15 H14.67 N O0.34 S2.31 -","- C42.154 H14.673 N O0.3365 S2.308 -","- C337.232 H117.384 N8 O2.692 S18.464 -","8","1","","Hashikawa, Yoshifumi; Murata, Yasujiro","H<sub>2</sub>O/Olefinic-π Interaction inside a Carbon Nanocage.","Journal of the American Chemical Society","2019","141","32","12928","12938","10.1021/jacs.9b06759","","","0.71073","MoKα","","0.0762","0.0631","","","0.1777","0.1936","","","","","","1.084","","","","has coordinates,has disorder","220898","2020-10-21","18:00:00",""
"4127705","11.0844","0.0004","7.7458","0.0004","20.304","0.001","90","","91.1723","0.0014","90","","1742.89","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 B10 N O2 -","- C12 H21 B10 N O2 -","- C48 H84 B40 N4 O8 -","4","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Catalytic Cascade Dehydrogenative Cross-Coupling of BH/CH and BH/NH: One-Pot Process to Carborano-Isoquinolinone.","Journal of the American Chemical Society","2019","141","32","12855","12862","10.1021/jacs.9b06204","","","0.71073","MoKα","","0.0721","0.0532","","","0.1384","0.1497","","","","","","1.105","","","","has coordinates","220899","2020-10-21","18:00:00",""
"4127706","7.1661","0.0003","15.9648","0.0007","15.0918","0.0007","90","","98.9674","0.0013","90","","1705.48","0.13","302","2","302","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 B10 N O2 -","- C11 H21 B10 N O2 -","- C44 H84 B40 N4 O8 -","4","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Catalytic Cascade Dehydrogenative Cross-Coupling of BH/CH and BH/NH: One-Pot Process to Carborano-Isoquinolinone.","Journal of the American Chemical Society","2019","141","32","12855","12862","10.1021/jacs.9b06204","","","0.71073","MoKα","","0.0589","0.0512","","","0.1484","0.1551","","","","","","1.046","","","","has coordinates","220900","2020-10-21","18:00:00",""
"4127707","33.7489","0.0019","13.4301","0.0007","24.9712","0.0015","90","","116.232","0.0016","90","","10152.6","1","302","2","302","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 B10 F N O -","- C10 H16 B10 F N O -","- C240 H384 B240 F24 N24 O24 -","24","3","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Catalytic Cascade Dehydrogenative Cross-Coupling of BH/CH and BH/NH: One-Pot Process to Carborano-Isoquinolinone.","Journal of the American Chemical Society","2019","141","32","12855","12862","10.1021/jacs.9b06204","","","0.71073","MoKα","","0.1134","0.0631","","","0.1549","0.1855","","","","","","1.023","","","","has coordinates","220901","2020-10-21","18:00:00",""
"4127708","8.4669","0.0006","13.4901","0.001","13.6718","0.001","66.8603","0.0019","75.881","0.0019","87.086","0.0019","1390.8","0.18","289","2","289","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H64 B20 Ir2 N2 O2 -","- C40 H64 B20 Ir2 N2 O2 -","- C40 H64 B20 Ir2 N2 O2 -","1","0.5","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Catalytic Cascade Dehydrogenative Cross-Coupling of BH/CH and BH/NH: One-Pot Process to Carborano-Isoquinolinone.","Journal of the American Chemical Society","2019","141","32","12855","12862","10.1021/jacs.9b06204","","","0.71073","MoKα","","0.0528","0.0507","","","0.1245","0.1262","","","","","","1.106","","","","has coordinates","220902","2020-10-21","18:00:00",""
"4127709","10.4959","0.0004","13.6769","0.0006","14.7303","0.0006","113.848","0.002","92.532","0.002","111.529","0.002","1752.41","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10.5 H17.5 B10 Cl1.5 N O -","- C10.5 H17.5 B10 Cl1.5 N O -","- C42 H70 B40 Cl6 N4 O4 -","4","2","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Catalytic Cascade Dehydrogenative Cross-Coupling of BH/CH and BH/NH: One-Pot Process to Carborano-Isoquinolinone.","Journal of the American Chemical Society","2019","141","32","12855","12862","10.1021/jacs.9b06204","","","0.71073","MoKα","","0.1473","0.1008","","","0.3072","0.3526","","","","","","1.269","","","","has coordinates","220903","2020-10-21","18:00:00",""
"4127710","9.9503","0.0008","10.9577","0.0009","12.3212","0.001","70.675","0.002","89.261","0.003","85.871","0.003","1264.34","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","2","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0495","0.0405","","","0.1021","0.1075","","","","","","1.022","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127711","15.0526","0.001","6.9062","0.0005","17.3582","0.0012","90","","103.634","0.002","90","","1753.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O3 -","- C24 H18 N2 O3 -","- C96 H72 N8 O12 -","4","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0495","0.0403","","","0.1021","0.1076","","","","","","1.028","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127712","6.9174","0.0002","10.5842","0.0003","13.1785","0.0004","76.726","0.001","82.52","0.002","83.007","0.001","926.87","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 F2 N2 O3 -","- C24 H16 F2 N2 O3 -","- C48 H32 F4 N4 O6 -","2","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0559","0.045","","","0.0965","0.1026","","","","","","1.084","","","","has coordinates,has disorder","220904","2020-10-21","18:00:00",""
"4127713","6.9299","0.0003","10.8187","0.0004","13.1005","0.0005","76.659","0.001","85.526","0.001","82.454","0.001","946.24","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 F4 N2 O3 -","- C24 H14 F4 N2 O3 -","- C48 H28 F8 N4 O6 -","2","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0588","0.039","","","0.0842","0.0926","","","","","","1.022","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127714","7.7824","0.0004","8.798","0.0005","15.0204","0.0008","90.548","0.002","97.632","0.002","98.051","0.002","1008.87","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 F8 N2 O3 -","- C24 H10 F8 N2 O3 -","- C48 H20 F16 N4 O6 -","2","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0461","0.0382","","","0.1024","0.1071","","","","","","1.042","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127715","23.2194","0.001","7.852","0.0003","7.3545","0.0003","90","","90","","90","","1340.86","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0369","0.0346","","","0.0898","0.0913","","","","","","1.051","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127716","11.5459","0.0007","14.1178","0.001","11.8327","0.0008","90","","98.294","0.004","90","","1908.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N O3 -","- C26 H19 N O3 -","- C104 H76 N4 O12 -","4","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0529","0.0382","","","0.0882","0.0947","","","","","","1.025","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127717","8.3012","0.0003","13.3693","0.0006","17.8245","0.0007","90","","90","","90","","1978.18","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H15 F4 N O3 -","- C26 H15 F4 N O3 -","- C104 H60 F16 N4 O12 -","4","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0434","0.0354","","","0.0787","0.0821","","","","","","1.047","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127718","17.232","0.002","8.4715","0.0011","14.2645","0.0017","90","","93.467","0.004","90","","2078.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H11 F8 N O3 -","- C26 H11 F8 N O3 -","- C104 H44 F32 N4 O12 -","4","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0571","0.0424","","","0.096","0.1029","","","","","","1.041","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127719","6.9786","0.0006","13.7874","0.0011","14.798","0.0012","104.496","0.004","94.554","0.005","97.803","0.005","1356.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34.31 H25.65 Cl0.74 N2.97 O3 -","- C34.31 H25.648 Cl0.732 N2.972 O3 -","- C68.62 H51.296 Cl1.464 N5.944 O6 -","2","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0676","0.0479","","","0.1092","0.1166","","","","","","1.053","","","","has coordinates,has disorder","220904","2020-10-21","18:00:00",""
"4127720","35.4911","0.0014","35.4911","0.0014","9.9547","0.0004","90","","90","","120","","10859.2","0.7","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C34 H23 N O3.12 -","- C34 H23 N O3.11633 -","- C612 H414 N18 O56.094 -","18","3","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0556","0.0416","","","0.0899","0.0964","","","","","","1.033","","","","has coordinates,has disorder","220904","2020-10-21","18:00:00",""
"4127721","9.1223","0.0013","8.7787","0.0012","19.83","0.004","90","","90.103","0.013","90","","1588","0.4","293","","293","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C6 H10 I4 N2 Pb -","- C6 H10 I4 N2 Pb -","- C24 H40 I16 N8 Pb4 -","4","2","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.1616","0.1219","","","0.132","0.1346","","","","7.17","7.17","6.19","","","","has coordinates","220905","2020-10-21","18:00:00",""
"4127722","16.24","0.0007","9.0384","0.0005","8.8082","0.0016","90","","97.619","0.007","90","","1281.5","0.3","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H16 I7 N3 Pb2 -","- C7 H16 I7 N3 Pb2 -","- C14 H32 I14 N6 Pb4 -","2","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.1281","0.0944","","","0.164","0.1676","","","","3.78","3.78","3.17","","","","has coordinates","220905","2020-10-21","18:00:00",""
"4127723","45.091","0.005","9.0494","0.0015","8.8654","0.001","90","","95.92","0.009","90","","3598.2","0.8","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H22 I10 N4 Pb3 -","- C8 H22 I10 N4 Pb3 -","- C32 H88 I40 N16 Pb12 -","4","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.1867","0.1285","","","0.1663","0.1674","","","","7.96","7.96","5.92","","","","has coordinates","220905","2020-10-21","18:00:00",""
"4127724","28.8181","0.001","9.0332","0.0014","8.882","0.003","90","","94.138","0.009","90","","2306.1","0.9","298","","298","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C9 H28 I13 N5 Pb4 -","- C9 H28 I13 N5 Pb4 -","- C18 H56 I26 N10 Pb8 -","2","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71013","MoKα","","0.2114","0.1234","","","0.1619","0.1632","","","","7.07","7.07","4.8","","","","has coordinates","220905","2020-10-21","18:00:00",""
"4127725","12.3348","0.0012","10.5038","0.0007","12.3423","0.0012","90","","90.002","0.008","90","","1599.1","0.2","293","","293","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C6 H10 I4 N2 Pb -","- C6 H10 I4 N2 Pb -","- C24 H40 I16 N8 Pb4 -","4","2","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.0705","0.0616","","","0.0691","0.0694","","","","4.06","4.06","3.85","","","","has coordinates","220906","2020-10-21","18:00:00",""
"4127726","34.678","0.004","8.7791","0.001","8.7644","0.0009","90","","104.536","0.008","90","","2582.8","0.5","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H16 I7 N3 Pb2 -","- C7 H16 I7 N3 Pb2 -","- C28 H64 I28 N12 Pb8 -","4","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.0591","0.0393","","","0.0709","0.0734","","","","1.96","1.96","1.75","","","","has coordinates","220906","2020-10-21","18:00:00",""
"4127727","23.175","0.003","8.8255","0.0007","8.8238","0.0009","90","","90.0045","","90","","1804.7","0.3","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C8 H22 I10 N4 Pb3 -","- C8 H22 I10 N4 Pb3 -","- C16 H44 I20 N8 Pb6 -","2","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.0764","0.0522","","","0.0757","0.0765","","","","4.17","4.17","3.46","","","","has coordinates","220906","2020-10-21","18:00:00",""
"4127728","59.166","0.009","8.8404","0.001","8.8405","0.0013","90","","90","0.012","90","","4624","1.1","293","","293","","","","","","","","","5","I 1 c 1","I -2yc","9","","","","- C9 H28 I13 N5 Pb4 -","- C9 H28 I13 N5 Pb4 -","- C36 H112 I52 N20 Pb16 -","4","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.0872","0.0478","","","0.1053","0.1424","","","","2.62","2.62","2.73","","","","has coordinates","220906","2020-10-21","18:00:00",""
"4127729","17.2882","0.0014","17.2882","0.0014","95.075","0.008","90","","90","","120","","24609","3","100","2","99.98","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C243 H241 N23 O30 S7 -","- C243 H241 N23 O30 S7 -","- C729 H723 N69 O90 S21 -","3","0.25","","Shi, Yan; Yin, Guangqiang; Yan, Zhiping; Sang, Peng; Wang, Minghui; Brzozowski, Robert; Eswara, Prahathees; Wojtas, Lukasz; Zheng, Youxuan; Li, Xiaopeng; Cai, Jianfeng","Helical Sulfono-γ-AApeptides with Aggregation-Induced Emission and Circularly Polarized Luminescence.","Journal of the American Chemical Society","2019","141","32","12697","12706","10.1021/jacs.9b05329","","","1.54178","CuKα","","0.0875","0.0697","","","0.1992","0.2171","","","","","","1.048","","","","has coordinates,has disorder","220907","2020-10-21","18:00:00",""
"4127730","8.5171","0.0012","15.355","0.002","15.872","0.002","101.064","0.002","99.352","0.002","97.402","0.002","1982.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H78 N8 O7 Rh2 -","- C93 H78 N8 O7 Rh2 -","- C93 H78 N8 O7 Rh2 -","1","0.5","","Wei, Fangfang; Lai, Shiu-Lun; Zhao, Shunan; Ng, Maggie; Chan, Mei-Yee; Yam, Vivian Wing-Wah; Wong, Keith Man-Chung","Ligand Mediated Luminescence Enhancement in Cyclometalated Rhodium(III) Complexes and Their Applications in Efficient Organic Light-Emitting Devices.","Journal of the American Chemical Society","2019","141","32","12863","12871","10.1021/jacs.9b06308","","","0.71073","MoKα","","0.0573","0.0465","","","0.1307","0.14","","","","","","1.062","","","","has coordinates","220908","2020-10-21","18:00:00",""
"4127731","11.3021","0.0012","11.433","0.0012","19.651","0.002","85.111","0.003","77.907","0.003","62.019","0.003","2192.4","0.4","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H39 Cl2 N4 O2 Rh -","- C56 H39 Cl2 N4 O2 Rh -","- C112 H78 Cl4 N8 O4 Rh2 -","2","1","","Wei, Fangfang; Lai, Shiu-Lun; Zhao, Shunan; Ng, Maggie; Chan, Mei-Yee; Yam, Vivian Wing-Wah; Wong, Keith Man-Chung","Ligand Mediated Luminescence Enhancement in Cyclometalated Rhodium(III) Complexes and Their Applications in Efficient Organic Light-Emitting Devices.","Journal of the American Chemical Society","2019","141","32","12863","12871","10.1021/jacs.9b06308","","","0.71073","MoKα","","0.033","0.0288","","","0.0815","0.0876","","","","","","1.051","","","","has coordinates","220909","2020-10-21","18:00:00",""
"4127732","12.446","0.0006","13.6369","0.0006","13.8155","0.0007","66.3865","0.0012","67.2318","0.0013","63.2273","0.0012","1856.02","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H27 F6 N4 O2 Rh -","- C45 H27 F6 N4 O2 Rh -","- C90 H54 F12 N8 O4 Rh2 -","2","1","","Wei, Fangfang; Lai, Shiu-Lun; Zhao, Shunan; Ng, Maggie; Chan, Mei-Yee; Yam, Vivian Wing-Wah; Wong, Keith Man-Chung","Ligand Mediated Luminescence Enhancement in Cyclometalated Rhodium(III) Complexes and Their Applications in Efficient Organic Light-Emitting Devices.","Journal of the American Chemical Society","2019","141","32","12863","12871","10.1021/jacs.9b06308","","","0.71073","MoKα","","0.0348","0.0324","","","0.0921","0.0949","","","","","","1.047","","","","has coordinates","220910","2020-10-21","18:00:00",""
"4127733","20.0754","0.0016","20.0754","0.0016","22.1042","0.0018","90","","90","","90","","8908.5","1.2","220","2","220","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C128 H110 Cl6 N32 Ni4 O36 -","- C128 H104 Cl6 N32 Ni4 O36 -","- C256 H208 Cl12 N64 Ni8 O72 -","2","0.25","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.1136","0.0833","","","0.2118","0.2277","","","","","","1.085","","","","has coordinates,has disorder","220911","2020-10-21","18:00:00",""
"4127734","33.2486","0.0009","21.1446","0.0006","24.1227","0.0007","90","","110.247","0.0014","90","","15911","0.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C116 H130 Cl6 N26 Ni4 O47 -","- C116 H109 Cl6 N26 Ni4 O47 -","- C464 H436 Cl24 N104 Ni16 O188 -","4","0.5","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.1936","0.0915","","","0.2192","0.2461","","","","","","1.084","","","","has coordinates,has disorder","220912","2020-10-21","18:00:00",""
"4127735","19.851","0.0008","19.851","0.0008","22.6268","0.001","90","","90","","90","","8916.4","0.6","200","2","200","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C124 H102 B4 F16 N30 O12 Zn4 -","- C124 H98 B4 F16 N30 O12 Zn4 -","- C248 H196 B8 F32 N60 O24 Zn8 -","2","0.25","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.1055","0.0736","","","0.1741","0.1877","","","","","","1.082","","","","has coordinates,has disorder","220913","2020-10-21","18:00:00",""
"4127736","19.097","0.0019","21.105","0.002","23.148","0.002","90","","90","","90","","9329.6","1.5","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C145 H122 F24 N34 O40 S8 Zn4 -","- C145 H120 F24 N34 O40 S8 Zn4 -","- C290 H240 F48 N68 O80 S16 Zn8 -","2","0.5","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.0718","0.0561","","","0.1529","0.162","","","","","","1.077","","","","has coordinates,has disorder","220914","2020-10-21","18:00:00",""
"4127737","19.73","0.0016","19.73","0.0016","22.2762","0.0017","90","","90","","90","","8671.5","1.2","180","2","180","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C120 H96 B4 Co4 F16 N28 O12 -","- C120 H92 B4 Co4 F16 N28 O12 -","- C240 H184 B8 Co8 F32 N56 O24 -","2","0.25","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.1487","0.0733","","","0.1712","0.1883","","","","","","1.028","","","","has coordinates,has disorder","220915","2020-10-21","18:00:00",""
"4127738","19.841","0.0013","19.841","0.0013","22.7968","0.0015","90","","90","","90","","8974.3","1","180","2","180","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C124 H104 Cl6 Fe4 N30 O36 -","- C124 H98 Cl6 Fe4 N30 O36 -","- C248 H196 Cl12 Fe8 N60 O72 -","2","0.25","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.0916","0.0708","","","0.1821","0.1931","","","","","","1.079","","","","has coordinates,has disorder","220916","2020-10-21","18:00:00",""
"4127739","23.5865","0.0016","24.6752","0.0009","8.9356","0.0003","90","","90","","90","","5200.5","0.4","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C45 H58 Cl2 N4 O Si3 -","- C45 H58 Cl2 N4 O Si3 -","- C180 H232 Cl8 N16 O4 Si12 -","4","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.1171","0.0637","","","0.1219","0.1476","","","","","","0.947","","","","has coordinates","220917","2020-10-21","18:00:00",""
"4127740","26.7305","0.0013","9.9161","0.0004","22.47","0.0013","90","","113.466","0.006","90","","5463.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H58 Cl4 N4 O Si4 -","- C45 H58 Cl4 N4 O Si4 -","- C180 H232 Cl16 N16 O4 Si16 -","4","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.1657","0.0898","","","0.2223","0.2913","","","","","","0.971","","","","has coordinates,has disorder","220917","2020-10-21","18:00:00",""
"4127741","19.1971","0.0003","27.1494","0.0003","18.067","0.0003","90","","110.909","0.002","90","","8796.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H58 N4 O Si3 -","- C45 H58 N4 O Si3 -","- C360 H464 N32 O8 Si24 -","8","2","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.0571","0.0422","","","0.1047","0.1171","","","","","","1.023","","","","has coordinates,has disorder","220917","2020-10-21","18:00:00",""
"4127742","13.9968","0.001","15.1411","0.0013","15.8329","0.0009","61.805","0.007","65.984","0.006","68.07","0.007","2632","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H78 N4 O5 Si3 -","- C53 H78 N4 O5 Si3 -","- C106 H156 N8 O10 Si6 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.1004","0.0559","","","0.1284","0.1597","","","","","","1","","","","has coordinates","220917","2020-10-21","18:00:00",""
"4127743","12.4375","0.0005","15.7696","0.0007","26.0633","0.0012","76.348","0.004","77.032","0.004","77.131","0.004","4762.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H126 N8 O5 Si6 -","- C94 H126 N8 O5 Si6 -","- C188 H252 N16 O10 Si12 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.1101","0.0603","","","0.1324","0.1655","","","","","","0.987","","","","has coordinates","220917","2020-10-21","18:00:00",""
"4127744","9.6926","0.0004","13.9099","0.0006","17.6215","0.0008","70.283","0.004","88.832","0.004","80.984","0.004","2207.51","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H64 N6 O Si3 -","- C45 H64 N6 O Si3 -","- C90 H128 N12 O2 Si6 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.069","0.0549","","","0.1438","0.1588","","","","","","1.054","","","","has coordinates","220917","2020-10-21","18:00:00",""
"4127745","9.0272","0.0007","18.6044","0.0014","18.9208","0.0012","112.095","0.007","91.889","0.006","94.254","0.006","2929.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H75 B N4 O Si3 -","- C63 H75 B N4 O Si3 -","- C126 H150 B2 N8 O2 Si6 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.1267","0.0693","","","0.145","0.1867","","","","","","1.005","","","","has coordinates","220917","2020-10-21","18:00:00",""
"4127746","12.7519","0.0005","13.089","0.0005","18.6644","0.0007","87.583","0.003","83.914","0.003","71.068","0.004","2930","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H77 B N4 O Si3 -","- C65 H77 B N4 O Si3 -","- C130 H154 B2 N8 O2 Si6 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.097","0.0786","","","0.2082","0.233","","","","","","1.035","","","","has coordinates","220917","2020-10-21","18:00:00",""
"4127747","16.335","0.002","16.335","0.002","6.4559","0.0013","90","","90","","90","","1722.6","0.5","100","","100","","","","","","","","","2","P -4 21 m","P -4 2ab","113","","","","- I2 Pb0.5 -","- I2 Pb0.5 -","- I16 Pb4 -","8","1","","Gautier, Romain; Paris, Michael; Massuyeau, Florian","Exciton Self-Trapping in Hybrid Lead Halides: Role of Halogen.","Journal of the American Chemical Society","2019","141","32","12619","12623","10.1021/jacs.9b04262","","","0.71073","MoKα","","0.1846","0.118","","","0.2876","0.3564","","","","","","1.309","","","","has coordinates,has disorder","220918","2020-10-21","18:00:00",""
"4127748","15.541","0.002","15.541","0.002","5.7821","0.0012","90","","90","","90","","1396.5","0.4","273","2","273.15","","","","","","","","","2","P -4 21 m","P -4 2ab","113","","","","- Cl2 Pb0.5 -","- Cl2 Pb0.5 -","- Cl16 Pb4 -","8","1","","Gautier, Romain; Paris, Michael; Massuyeau, Florian","Exciton Self-Trapping in Hybrid Lead Halides: Role of Halogen.","Journal of the American Chemical Society","2019","141","32","12619","12623","10.1021/jacs.9b04262","","","0.71073","MoKα","","0.1308","0.1064","","","0.2611","0.2916","","","","","","1.199","","","","has coordinates,has disorder","220919","2020-10-21","18:00:00",""
"4127749","19.099","0.004","25.697","0.005","19.253","0.004","90","","91.374","0.003","90","","9446","3","160","2","160","2","","","","","","","","6","P 1 21 1","P 2yb","4","U19","","","- C24 H16 K22.69 O151.5 P8 U18.61 -","- C24 H16 K22.692 O151.5 P8 U18.608 -","- C48 H32 K45.384 O303 P16 U37.216 -","2","1","","Xu, Mengyu; Traustason, Hrafn; Bo, Fabrice Dal; Hickam, Sarah; Chong, Saehwa; Zhang, Lei; Oliver, Allen G.; Burns, Peter C.","Supramolecular Assembly of Geometrically Unstable Hybrid Organic-Inorganic Uranyl Peroxide Cage Clusters and Their Transformations.","Journal of the American Chemical Society","2019","141","32","12780","12788","10.1021/jacs.9b05599","","","0.71073","MoKα","","0.0875","0.0605","","","0.1438","0.159","","","","","","1.02","","","","has coordinates,has disorder","220920","2020-10-21","18:00:00",""
"4127750","19.6881","0.0013","19.6881","0.0013","19.0607","0.0018","90","","90","","90","","7388.3","1","160","2","160","2","","","","","","","","6","I 4/m","-I 4","87","U24","","","- C0 H0 K26.92 O159 P0 U24 -","- K27.024 O158.98 U24 -","- K54.048 O317.96 U48 -","2","0.125","","Xu, Mengyu; Traustason, Hrafn; Bo, Fabrice Dal; Hickam, Sarah; Chong, Saehwa; Zhang, Lei; Oliver, Allen G.; Burns, Peter C.","Supramolecular Assembly of Geometrically Unstable Hybrid Organic-Inorganic Uranyl Peroxide Cage Clusters and Their Transformations.","Journal of the American Chemical Society","2019","141","32","12780","12788","10.1021/jacs.9b05599","","","0.71073","MoKα","","0.0256","0.021","","","0.0462","0.0474","","","","","","1.05","","","","has coordinates","220921","2020-10-21","18:00:00",""
"4127751","51.236","0.005","8.7266","0.0009","9.1242","0.0009","90","","90","","90","","4079.6","0.7","200","2","200","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C48 H160 I40 N16 Pb12 -","4","0.5","","Han, Shiguo; Liu, Xitao; Liu, Yi; Xu, Zhiyun; Li, Yaobin; Hong, Maochun; Luo, Junhua; Sun, Zhihua","High-Temperature Antiferroelectric of Lead Iodide Hybrid Perovskites.","Journal of the American Chemical Society","2019","141","32","12470","12474","10.1021/jacs.9b05124","","x-ray","0.71073","MoKα","","0.0779","0.0546","","","0.1161","0.1297","","","","","","1.05","","","","has coordinates","220922","2020-10-21","18:00:00",""
"4127752","9.0291","0.0009","8.9825","0.0009","52.666","0.006","90","","90","","90","","4271.4","0.8","340","2","340.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C48 H160 I40 N16 Pb12 -","4","0.5","","Han, Shiguo; Liu, Xitao; Liu, Yi; Xu, Zhiyun; Li, Yaobin; Hong, Maochun; Luo, Junhua; Sun, Zhihua","High-Temperature Antiferroelectric of Lead Iodide Hybrid Perovskites.","Journal of the American Chemical Society","2019","141","32","12470","12474","10.1021/jacs.9b05124","","","0.71073","MoKα","","0.2133","0.1064","","","0.2053","0.2453","","","","","","1.084","","","","has coordinates","220923","2020-10-21","18:00:00",""
"4127753","6.3937","0.0006","6.3937","0.0006","52.791","0.008","90","","90","","90","","2158.1","0.4","373","2","373","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C24 H80 I20 N8 Pb6 -","2","0.0625","","Han, Shiguo; Liu, Xitao; Liu, Yi; Xu, Zhiyun; Li, Yaobin; Hong, Maochun; Luo, Junhua; Sun, Zhihua","High-Temperature Antiferroelectric of Lead Iodide Hybrid Perovskites.","Journal of the American Chemical Society","2019","141","32","12470","12474","10.1021/jacs.9b05124","","","0.71073","MoKα","","0.0795","0.051","","","0.09","0.1024","","","","","","1.041","","","","has coordinates,has disorder","220924","2020-10-21","18:00:00",""
"4127754","7.8872","0.0003","15.4283","0.0006","24.3545","0.001","94.076","0.003","92.133","0.003","97.566","0.003","2927.1","0.2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C91 H54 S2 -","- C91 H54 S2 -","- C182 H108 S4 -","2","1","","Hu, Yunbin; Paternò, Giuseppe M; Wang, Xiao-Ye; Wang, Xin-Chang; Guizzardi, Michele; Chen, Qiang; Schollmeyer, Dieter; Cao, Xiao-Yu; Cerullo, Giulio; Scotognella, Francesco; Müllen, Klaus; Narita, Akimitsu","π-Extended Pyrene-Fused Double [7]Carbohelicene as a Chiral Polycyclic Aromatic Hydrocarbon.","Journal of the American Chemical Society","2019","141","32","12797","12803","10.1021/jacs.9b05610","","","0.71073","MoKα","","0.1394","0.0887","","","0.2228","0.2533","","","","","","1.062","","","","has coordinates,has disorder","220925","2020-10-21","18:00:00",""
"4127755","6.2022","0.0002","12.0562","0.0005","11.3655","0.0004","90","","92.957","0.002","90","","848.72","0.05","296","2","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H27 B O4 -","- C16 H27 B O4 -","- C32 H54 B2 O8 -","2","1","","Tan, Yun-Xuan; Zhang, Fang; Xie, Pei-Pei; Zhang, Shuo-Qing; Wang, Yi-Fan; Li, Qing-Hua; Tian, Ping; Hong, Xin; Lin, Guo-Qiang","Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study.","Journal of the American Chemical Society","2019","141","32","12770","12779","10.1021/jacs.9b05583","","","1.34139","GaKα","","0.0893","0.0811","","","0.2034","0.2113","","","","","","1.03","","","","has coordinates","220926","2020-10-21","18:00:00",""
"4127756","27.671","0.002","6.9365","0.0006","10.7712","0.0008","90","","100.202","0.004","90","","2034.7","0.3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H31 B O4 -","- C19 H31 B O4 -","- C76 H124 B4 O16 -","4","1","","Tan, Yun-Xuan; Zhang, Fang; Xie, Pei-Pei; Zhang, Shuo-Qing; Wang, Yi-Fan; Li, Qing-Hua; Tian, Ping; Hong, Xin; Lin, Guo-Qiang","Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study.","Journal of the American Chemical Society","2019","141","32","12770","12779","10.1021/jacs.9b05583","","","1.54178","CuKα","","0.0729","0.0572","","","0.1513","0.1704","","","","","","1.025","","","","has coordinates,has disorder","220927","2020-10-21","18:00:00",""
"4127757","6.5292","0.0002","11.5538","0.0003","11.7344","0.0003","90","","101.71","0.001","90","","866.79","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 B O4 -","- C17 H27 B O4 -","- C34 H54 B2 O8 -","2","1","","Tan, Yun-Xuan; Zhang, Fang; Xie, Pei-Pei; Zhang, Shuo-Qing; Wang, Yi-Fan; Li, Qing-Hua; Tian, Ping; Hong, Xin; Lin, Guo-Qiang","Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study.","Journal of the American Chemical Society","2019","141","32","12770","12779","10.1021/jacs.9b05583","","","1.54178","CuKα","","0.0321","0.0316","","","0.087","0.0876","","","","","","1.059","","","","has coordinates","220928","2020-10-21","18:00:00",""
"4127758","6.9327","0.0004","7.3133","0.0004","8.9299","0.0005","90","","95.124","0.002","90","","450.94","0.04","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C20 H28 O6 -","2","1","","Tan, Yun-Xuan; Zhang, Fang; Xie, Pei-Pei; Zhang, Shuo-Qing; Wang, Yi-Fan; Li, Qing-Hua; Tian, Ping; Hong, Xin; Lin, Guo-Qiang","Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study.","Journal of the American Chemical Society","2019","141","32","12770","12779","10.1021/jacs.9b05583","","","1.54178","CuKα","","0.0306","0.0305","","","0.0872","0.0874","","","","","","1.031","","","","has coordinates","220929","2020-10-21","18:00:00",""
"4127759","6.7144","0.0002","11.6764","0.0003","10.844","0.0003","90","","101.962","0.001","90","","831.71","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 B O4 -","- C16 H25 B O4 -","- C32 H50 B2 O8 -","2","1","","Tan, Yun-Xuan; Zhang, Fang; Xie, Pei-Pei; Zhang, Shuo-Qing; Wang, Yi-Fan; Li, Qing-Hua; Tian, Ping; Hong, Xin; Lin, Guo-Qiang","Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study.","Journal of the American Chemical Society","2019","141","32","12770","12779","10.1021/jacs.9b05583","","","1.54178","CuKα","","0.0501","0.0479","","","0.1277","0.1312","","","","","","1.074","","","","has coordinates,has disorder","220930","2020-10-21","18:00:00",""
"4127760","11.18","0.02","13.88","0.02","16.93","0.03","74.23","0.04","85.68","0.03","87.32","0.04","2520","7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","TS460 TT MAPB","","","- C64 H54 N2 O4 S2 -","- C64 H54 N2 O4 S2 -","- C128 H108 N4 O8 S4 -","2","1","","Sick, Torben; Rotter, Julian M.; Reuter, Stephan; Kandambeth, Sharath; Bach, Nicolai N.; Döblinger, Markus; Merz, Julia; Clark, Timothy; Marder, Todd B.; Bein, Thomas; Medina, Dana D.","Switching on and off Interlayer Correlations and Porosity in 2D Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","32","12570","12581","10.1021/jacs.9b02800","","","0.71073","MoKα","","0.1018","0.0777","","","0.1586","0.1678","","","","","","1.152","","","","has coordinates,has disorder","220931","2020-10-21","18:00:00",""
"4127761","10.0629","0.0019","12.379","0.003","25.104","0.005","86.773","0.007","81.159","0.007","78.54","0.007","3027.3","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","TS462-BDTOEt-MAPB","","","- C71 H63 Cl3 N4 O4 S2 -","- C71 H63 Cl3 N4 O4 S2 -","- C142 H126 Cl6 N8 O8 S4 -","2","1","","Sick, Torben; Rotter, Julian M.; Reuter, Stephan; Kandambeth, Sharath; Bach, Nicolai N.; Döblinger, Markus; Merz, Julia; Clark, Timothy; Marder, Todd B.; Bein, Thomas; Medina, Dana D.","Switching on and off Interlayer Correlations and Porosity in 2D Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","32","12570","12581","10.1021/jacs.9b02800","","","0.71073","MoKα","","0.1511","0.0843","","","0.2105","0.2439","","","","","","1.035","","","","has coordinates,has disorder","220932","2020-10-21","18:00:00",""
"4127762","9.4004","0.0004","11.0528","0.0005","24.834","0.001","85.538","0.002","84.11","0.001","65.666","0.001","2336.83","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","BDT MAPB cryst","","","- C63 H47 N3 O S2 -","- C63 H47 N3 O S2 -","- C126 H94 N6 O2 S4 -","2","1","","Sick, Torben; Rotter, Julian M.; Reuter, Stephan; Kandambeth, Sharath; Bach, Nicolai N.; Döblinger, Markus; Merz, Julia; Clark, Timothy; Marder, Todd B.; Bein, Thomas; Medina, Dana D.","Switching on and off Interlayer Correlations and Porosity in 2D Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","32","12570","12581","10.1021/jacs.9b02800","","","0.71073","MoKα","","0.0853","0.0517","","","0.114","0.1275","","","","","","1.013","","","","has coordinates,has disorder","220933","2020-10-21","18:00:00",""
"4127763","9.962","0.0004","13.7057","0.0005","18.6233","0.0007","89.038","0.001","78.249","0.001","74.177","0.002","2393.11","0.16","103","2","103","2","","","","","","","","3","P -1","-P 1","2","TA-MAPB","","","- C66.5 H52 N2 -","- C66.5 H52 N2 -","- C133 H104 N4 -","2","1","","Sick, Torben; Rotter, Julian M.; Reuter, Stephan; Kandambeth, Sharath; Bach, Nicolai N.; Döblinger, Markus; Merz, Julia; Clark, Timothy; Marder, Todd B.; Bein, Thomas; Medina, Dana D.","Switching on and off Interlayer Correlations and Porosity in 2D Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","32","12570","12581","10.1021/jacs.9b02800","","","0.71073","MoKα","","0.0915","0.0664","","","0.1654","0.1816","","","","","","1.033","","","","has coordinates,has disorder","220934","2020-10-21","18:00:00",""
"4127764","10.0992","0.0005","12.3535","0.0006","25.0363","0.0009","85.671","0.002","80.923","0.002","78.079","0.002","3014.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","TS461 BDTOMe MAPB","","","- C62 H44 N2 O2 S2 -","- C62 H44 N2 O2 S2 -","- C124 H88 N4 O4 S4 -","2","1","","Sick, Torben; Rotter, Julian M.; Reuter, Stephan; Kandambeth, Sharath; Bach, Nicolai N.; Döblinger, Markus; Merz, Julia; Clark, Timothy; Marder, Todd B.; Bein, Thomas; Medina, Dana D.","Switching on and off Interlayer Correlations and Porosity in 2D Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","32","12570","12581","10.1021/jacs.9b02800","","","0.71073","MoKα","","0.1178","0.0739","","","0.2091","0.2268","","","","","","0.971","","","","has coordinates","220935","2020-10-21","18:00:00",""
"4127765","9.2615","0.0009","55.194","0.006","9.7156","0.001","90","","115.71","0.003","90","","4474.7","0.8","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","TS-linPY-MAPB","","","- C66 H44 N2 -","- C66 H44 N2 -","- C264 H176 N8 -","4","1","","Sick, Torben; Rotter, Julian M.; Reuter, Stephan; Kandambeth, Sharath; Bach, Nicolai N.; Döblinger, Markus; Merz, Julia; Clark, Timothy; Marder, Todd B.; Bein, Thomas; Medina, Dana D.","Switching on and off Interlayer Correlations and Porosity in 2D Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","32","12570","12581","10.1021/jacs.9b02800","","","0.71073","MoKα","","0.2071","0.1074","","","0.184","0.2181","","","","","","1.075","","","","has coordinates","220936","2020-10-21","18:00:00",""
"4127766","10.4389","0.0009","13.2789","0.0012","13.6962","0.0012","67.226","0.004","74.054","0.004","88.462","0.004","1676.4","0.3","100","2","99.96","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H33 Cl3 N2 O7 -","- C36 H33 Cl3 N2 O7 -","- C72 H66 Cl6 N4 O14 -","2","1","","Zhang, Wenhan; Chu, Jennifer; Cyr, Andrew M.; Yueh, Han; Brown, Lauren E.; Wang, Tony T.; Pelletier, Jerry; Porco, Jr, John A","Intercepted Retro-Nazarov Reaction: Syntheses of Amidino-Rocaglate Derivatives and Their Biological Evaluation as eIF4A Inhibitors.","Journal of the American Chemical Society","2019","141","32","12891","12900","10.1021/jacs.9b06446","","","1.54178","CuKα","","0.0832","0.0767","","","0.1798","0.1831","","","","","","1.095","","","","has coordinates,has disorder","220937","2020-10-21","18:00:00",""
"4127767","16.04116","0.00011","13.40403","0.00008","7.62996","0.00005","90","","90","","90","","1640.56","0.018","85","2","85","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H10 B F9 N6 Ni -","- C12 H10 B F9 N6 Ni -","- C48 H40 B4 F36 N24 Ni4 -","4","0.5","","Meucci, Elizabeth A.; Nguyen, Shay N.; Camasso, Nicole M.; Chong, Eugene; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S.","Nickel(IV)-Catalyzed C-H Trifluoromethylation of (Hetero)arenes.","Journal of the American Chemical Society","2019","141","32","12872","12879","10.1021/jacs.9b06383","","","1.54184","CuKα","","0.0297","0.0296","","","0.0791","0.0792","","","","","","1.116","","","","has coordinates","220938","2020-10-21","18:00:00",""
"4127768","27.6539","0.0018","31.523","0.002","9.6026","0.0006","90","","90","","90","","8370.9","0.9","133","2","133","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C84 H142 K O10 Th -","- C84 H142 K O10 Th -","- C336 H568 K4 O40 Th4 -","4","1","","Huh, Daniel N.; Roy, Saswata; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Isolation of a Square-Planar Th(III) Complex: Synthesis and Structure of [Th(OC<sub>6</sub>H<sub>2</sub><sup>t</sup>Bu<sub>2</sub>-2,6-Me-4)<sub>4</sub>]<sup>1</sup>.","Journal of the American Chemical Society","2019","141","32","12458","12463","10.1021/jacs.9b04399","","","0.71073","MoKα","","0.0454","0.0346","","","0.0698","0.0734","","","","","","1.058","","","","has coordinates,has disorder","220939","2020-10-21","18:00:00",""
"4127769","20.987","0.003","19.879","0.003","39.091","0.006","90","","95.3671","0.0019","90","","16237","4","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78.5 H128.5 Li O8.5 Th -","- C78.5 H128.75 Li O8.5 Th -","- C628 H1030 Li8 O68 Th8 -","8","1","","Huh, Daniel N.; Roy, Saswata; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Isolation of a Square-Planar Th(III) Complex: Synthesis and Structure of [Th(OC<sub>6</sub>H<sub>2</sub><sup>t</sup>Bu<sub>2</sub>-2,6-Me-4)<sub>4</sub>]<sup>1</sup>.","Journal of the American Chemical Society","2019","141","32","12458","12463","10.1021/jacs.9b04399","","","0.71073","MoKα","","0.0499","0.0385","","","0.0918","0.0967","","","","","","1.035","","","","has coordinates,has disorder","220940","2020-10-21","18:00:00",""
"4127770","6.2457","0.0002","23.7522","0.0007","15.0056","0.0004","90","","93.4","0.003","90","","2222.15","0.11","298","0.1","298","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 N4 O12 -","- C8 H12 N4 O12 -","- C48 H72 N24 O72 -","6","1.5","","Barton, Lisa M.; Edwards, Jacob T.; Johnson, Eric C.; Bukowski, Eric J.; Sausa, Rosario C.; Byrd, Edward F. C.; Orlicki, Joshua A.; Sabatini, Jesse J.; Baran, Phil S.","Impact of Stereo- and Regiochemistry on Energetic Materials.","Journal of the American Chemical Society","2019","141","32","12531","12535","10.1021/jacs.9b06961","","x-ray","0.71073","MoKα","","0.0554","0.0421","","","0.0937","0.1005","","","","","","1.041","","","","has coordinates","220941","2020-10-21","18:00:00",""
"4127771","26.9938","0.0019","17.3049","0.0009","6.0736","0.0005","90","","90","","90","","2837.1","0.3","296","3","296","3","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H12 N4 O12 -","- C8 H12 N4 O12 -","- C64 H96 N32 O96 -","8","0.5","","Barton, Lisa M.; Edwards, Jacob T.; Johnson, Eric C.; Bukowski, Eric J.; Sausa, Rosario C.; Byrd, Edward F. C.; Orlicki, Joshua A.; Sabatini, Jesse J.; Baran, Phil S.","Impact of Stereo- and Regiochemistry on Energetic Materials.","Journal of the American Chemical Society","2019","141","32","12531","12535","10.1021/jacs.9b06961","","x-ray","0.71073","MoKα","","0.0326","0.0303","","","0.0716","0.0731","","","","","","1.084","","","","has coordinates","220942","2020-10-21","18:00:00",""
"4127772","7.6027","0.0004","9.8312","0.0004","9.8783","0.0004","90","","93.581","0.005","90","","736.9","0.06","298","0.1","298","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 N4 O12 -","- C8 H12 N4 O12 -","- C16 H24 N8 O24 -","2","1","","Barton, Lisa M.; Edwards, Jacob T.; Johnson, Eric C.; Bukowski, Eric J.; Sausa, Rosario C.; Byrd, Edward F. C.; Orlicki, Joshua A.; Sabatini, Jesse J.; Baran, Phil S.","Impact of Stereo- and Regiochemistry on Energetic Materials.","Journal of the American Chemical Society","2019","141","32","12531","12535","10.1021/jacs.9b06961","","x-ray","0.71073","MoKα","","0.0472","0.0399","","","0.0725","0.0757","","","","","","1.053","","","","has coordinates","220943","2020-10-21","18:00:00",""
"4127773","12.8079","0.0004","9.3371","0.0003","12.0047","0.0004","90","","95.751","0.003","90","","1428.4","0.08","298","0.1","298","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 N4 O12 -","- C8 H12 N4 O12 -","- C32 H48 N16 O48 -","4","0.5","","Barton, Lisa M.; Edwards, Jacob T.; Johnson, Eric C.; Bukowski, Eric J.; Sausa, Rosario C.; Byrd, Edward F. C.; Orlicki, Joshua A.; Sabatini, Jesse J.; Baran, Phil S.","Impact of Stereo- and Regiochemistry on Energetic Materials.","Journal of the American Chemical Society","2019","141","32","12531","12535","10.1021/jacs.9b06961","","x-ray","0.71073","MoKα","","0.0364","0.0337","","","0.088","0.0901","","","","","","1.096","","","","has coordinates","220944","2020-10-21","18:00:00",""
"4127774","7.9408","0.0003","16.135","0.0007","11.2323","0.0004","90","","90","","90","","1439.14","0.1","298","0.1","298","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H12 N4 O12 -","- C8 H12 N4 O12 -","- C32 H48 N16 O48 -","4","0.5","","Barton, Lisa M.; Edwards, Jacob T.; Johnson, Eric C.; Bukowski, Eric J.; Sausa, Rosario C.; Byrd, Edward F. C.; Orlicki, Joshua A.; Sabatini, Jesse J.; Baran, Phil S.","Impact of Stereo- and Regiochemistry on Energetic Materials.","Journal of the American Chemical Society","2019","141","32","12531","12535","10.1021/jacs.9b06961","","x-ray","0.71073","MoKα","","0.0475","0.0412","","","0.1016","0.1067","","","","","","1.122","","","","has coordinates","220945","2020-10-21","18:00:00",""
"4127775","4.18488","0.00007","4.18488","0.00007","14.5659","0.0004","90","","90","","90","","255.096","0.009","300","","300","","","","","","","","","4","I 41 m d","I 4bw -2","109","LaNiSiH1.50","LaNiSiH1.50","","- H1.5 La Ni Si -","- H1.472 La Ni Si -","- H5.888 La4 Ni4 Si4 -","4","0.25","","Mizoguchi, Hiroshi; Park, Sang-Won; Kishida, Kazuhisa; Kitano, Masaaki; Kim, Junghwan; Sasase, Masato; Honda, Takashi; Ikeda, Kazutaka; Otomo, Toshiya; Hosono, Hideo","Zeolitic Intermetallics: LnNiSi (Ln = La-Nd).","Journal of the American Chemical Society","2019","141","8","3376","3379","10.1021/jacs.8b12784","powder diffraction","","","TOFNeutronDiffraction","","","","","","","","","0.069525","0.236","","","","","","","has coordinates","220946","2020-10-21","18:00:00",""
"4127776","5.6789","0.0001","14.8057","0.0003","19.0477","0.0004","90","","90","","90","","1601.53","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O -","- C21 H20 O -","- C84 H80 O4 -","4","1","","Chen, Yue-Gang; Shuai, Bin; Xu, Xue-Tao; Li, Yi-Qian; Yang, Qi-Liang; Qiu, Hui; Zhang, Kun; Fang, Ping; Mei, Tian-Sheng","Nickel-catalyzed Enantioselective Hydroarylation and Hydroalkenylation of Styrenes.","Journal of the American Chemical Society","2019","141","8","3395","3399","10.1021/jacs.8b13524","","","1.54178","CuKα","","0.0635","0.0587","","","0.1677","0.1762","","","","","","1.03","","","","has coordinates","220947","2020-10-21","18:00:00",""
"4127777","6.4416","0.0003","10.2487","0.0004","49.282","0.003","90","","90","","90","","3253.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Cl N O -","- C17 H22 Cl N O -","- C136 H176 Cl8 N8 O8 -","8","2","","Chen, Yue-Gang; Shuai, Bin; Xu, Xue-Tao; Li, Yi-Qian; Yang, Qi-Liang; Qiu, Hui; Zhang, Kun; Fang, Ping; Mei, Tian-Sheng","Nickel-catalyzed Enantioselective Hydroarylation and Hydroalkenylation of Styrenes.","Journal of the American Chemical Society","2019","141","8","3395","3399","10.1021/jacs.8b13524","","","0.71073","MoKα","","0.1178","0.0811","","","0.1946","0.2244","","","","","","0.993","","","","has coordinates","220948","2020-10-21","18:00:00",""
"4127778","9.1614","0.0006","9.5112","0.0006","10.1222","0.0006","63.418","0.002","76.896","0.002","74.291","0.002","753.58","0.08","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C36 H44 O8 -","2","1","","Xie, Shengling; Chen, Gui; Yan, Hao; Hou, Jieping; He, Yongping; Zhao, Tongyun; Xu, Jing","13-Step Total Synthesis of Atropurpuran.","Journal of the American Chemical Society","2019","141","8","3435","3439","10.1021/jacs.9b00391","","","0.71073","MoKα","","0.0871","0.0798","","","0.2478","0.259","","","","","","1.111","","","","has coordinates","220949","2020-10-21","18:00:00",""
"4127779","21.454","0.003","16.346","0.002","22.919","0.003","90","","90","","90","","8037.4","1.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","DACstartCuCz(CN)2","","","- C44 H46 Cu N5 O2 -","- C44 H46 Cu N5 O2 -","- C352 H368 Cu8 N40 O16 -","8","1","","Shi, Shuyang; Jung, Moon Chul; Coburn, Caleb; Tadle, Abegail; Sylvinson M R, Daniel; Djurovich, Peter I.; Forrest, Stephen R.; Thompson, Mark E.","Highly Efficient Photo- and Electroluminescence from Two-Coordinate Cu(I) Complexes Featuring Nonconventional N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2019","141","8","3576","3588","10.1021/jacs.8b12397","","","0.71073","MoKα","","0.0639","0.0397","","","0.0883","0.0975","","","","","","1.04","","","","has coordinates","220950","2020-10-21","18:00:00",""
"4127780","21.45","0.004","16.176","0.003","23.183","0.005","90","","90","","90","","8044","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","MAACCuCzCN2","","","- C44 H49 Cu N5 O -","- C44 H48 Cu N5 O -","- C352 H384 Cu8 N40 O8 -","8","1","","Shi, Shuyang; Jung, Moon Chul; Coburn, Caleb; Tadle, Abegail; Sylvinson M R, Daniel; Djurovich, Peter I.; Forrest, Stephen R.; Thompson, Mark E.","Highly Efficient Photo- and Electroluminescence from Two-Coordinate Cu(I) Complexes Featuring Nonconventional N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2019","141","8","3576","3588","10.1021/jacs.8b12397","","","0.71073","MoKα","","0.0501","0.0342","","","0.0815","0.0898","","","","","","1.013","","","","has coordinates","220951","2020-10-21","18:00:00",""
"4127781","13.515","0.007","23.275","0.012","13.016","0.007","90","","113.2","0.008","90","","3763","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MAACCuCz","","","- C42 H50 Cu N3 O -","- C42 H50 Cu N3 O -","- C168 H200 Cu4 N12 O4 -","4","1","","Shi, Shuyang; Jung, Moon Chul; Coburn, Caleb; Tadle, Abegail; Sylvinson M R, Daniel; Djurovich, Peter I.; Forrest, Stephen R.; Thompson, Mark E.","Highly Efficient Photo- and Electroluminescence from Two-Coordinate Cu(I) Complexes Featuring Nonconventional N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2019","141","8","3576","3588","10.1021/jacs.8b12397","","","0.71073","MoKα","","0.1061","0.0795","","","0.1607","0.1687","","","","","","1.267","","","","has coordinates,has disorder","220952","2020-10-21","18:00:00",""
"4127782","16.236","0.005","23.108","0.006","21.854","0.006","90","","98.613","0.006","90","","8107","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","MAACCuCzCN","","","- C43 H47 Cu N4 O -","- C43 H47 Cu N4 O -","- C344 H376 Cu8 N32 O8 -","8","1","","Shi, Shuyang; Jung, Moon Chul; Coburn, Caleb; Tadle, Abegail; Sylvinson M R, Daniel; Djurovich, Peter I.; Forrest, Stephen R.; Thompson, Mark E.","Highly Efficient Photo- and Electroluminescence from Two-Coordinate Cu(I) Complexes Featuring Nonconventional N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2019","141","8","3576","3588","10.1021/jacs.8b12397","","","0.71073","MoKα","","0.0477","0.0419","","","0.0996","0.1018","","","","","","1.119","","","","has coordinates,has disorder","220953","2020-10-21","18:00:00",""
"4127783","12.114","0.0001","12.9777","0.0001","14.7578","0.0001","90","","90","","90","","2320.1","0.03","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 N2 O4.5 -","- C27 H28 N2 O4.5 -","- C108 H112 N8 O18 -","4","1","","Zhu, Xu; McAtee, Christopher C.; Schindler, Corinna S.","Total Syntheses of Herqulines B and C.","Journal of the American Chemical Society","2019","141","8","3409","3413","10.1021/jacs.8b13849","","","1.54184","CuKα","","0.0351","0.0337","","","0.0899","0.0927","","","","","","1.077","","","","has coordinates","220954","2020-10-21","18:00:00",""
"4127784","10.8485","0.0003","8.5152","0.0003","15.5978","0.0006","90","","106.083","0.003","90","","1384.49","0.08","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H34 Cl N2 O2.5 -","- C27 H34 Cl N2 O2.5 -","- C54 H68 Cl2 N4 O5 -","2","1","","Zhu, Xu; McAtee, Christopher C.; Schindler, Corinna S.","Total Syntheses of Herqulines B and C.","Journal of the American Chemical Society","2019","141","8","3409","3413","10.1021/jacs.8b13849","","","1.54184","CuKα","","0.0655","0.064","","","0.1693","0.1718","","","","","","1.037","","","","has coordinates,has disorder","220955","2020-10-21","18:00:00",""
"4127785","7.21026","0.00009","12.31353","0.00012","15.41477","0.00014","90","","96.9925","0.001","90","","1358.4","0.02","85","2","85","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H36 N2 O2 -","- C33 H36 N2 O2 -","- C66 H72 N4 O4 -","2","1","","Zhu, Xu; McAtee, Christopher C.; Schindler, Corinna S.","Total Syntheses of Herqulines B and C.","Journal of the American Chemical Society","2019","141","8","3409","3413","10.1021/jacs.8b13849","","","1.54184","CuKα","","0.0326","0.0322","","","0.082","0.0825","","","","","","1.087","","","","has coordinates","220956","2020-10-21","18:00:00",""
"4127786","10.8605","0.0002","8.5051","0.0001","15.6375","0.0004","90","","106.459","0.002","90","","1385.24","0.05","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H35 Cl N2 O2 -","- C27 H35 Cl N2 O2 -","- C54 H70 Cl2 N4 O4 -","2","1","","Zhu, Xu; McAtee, Christopher C.; Schindler, Corinna S.","Total Syntheses of Herqulines B and C.","Journal of the American Chemical Society","2019","141","8","3409","3413","10.1021/jacs.8b13849","","","1.54184","CuKα","","0.0929","0.0892","","","0.2434","0.2514","","","","","","1.064","","","","has coordinates","220957","2020-10-21","18:00:00",""
"4127787","4.9345","0.0001","8.6504","0.0002","23.3738","0.0006","90","","90","","90","","997.72","0.04","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 F3 N O -","- C10 H10 F3 N O -","- C40 H40 F12 N4 O4 -","4","1","","Gimenez, Diana; Zhou, Guangfeng; Hurley, Matthew F. D.; Aguilar, Juan A.; Voelz, Vincent A.; Cobb, Steven L.","Fluorinated Aromatic Monomers as Building Blocks To Control α-Peptoid Conformation and Structure.","Journal of the American Chemical Society","2019","141","8","3430","3434","10.1021/jacs.8b13498","","x-ray","1.54178","CuKα","","0.0223","0.022","","","0.0572","0.0576","","","","","","1.086","","","","has coordinates","220958","2020-10-21","18:00:00",""
"4127788","7.8351","0.0006","13.23","0.001","8.4949","0.0007","90","","92.544","0.004","90","","879.7","0.12","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Br N O2 S -","- C19 H20 Br N O2 S -","- C38 H40 Br2 N2 O4 S2 -","2","1","","Ma, Xiaofeng; Hazelden, Ian R.; Langer, Thomas; Munday, Rachel H.; Bower, John F.","Enantioselective Aza-Heck Cyclizations of N-(Tosyloxy)carbamates: Synthesis of Pyrrolidines and Piperidines.","Journal of the American Chemical Society","2019","141","8","3356","3360","10.1021/jacs.8b12689","","","0.71073","MoKα","","0.0199","0.019","","","0.0458","0.0461","","","","","","1.046","","","","has coordinates","220959","2020-10-21","18:00:00",""
"4127789","7.566","0.0004","21.7993","0.0011","8.4539","0.0004","90","","117.515","0.002","90","","1236.62","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 Cd N3 O5 -","- C8 H13 Cd N3 O5 -","- C32 H52 Cd4 N12 O20 -","4","1","","do Nascimento Neto, José Antônio; Valdo, Ana Karoline Silva Mendanha; da Silva, Cameron Capeletti; Guimarães, Freddy Fernandes; Queiroz Júnior, Luiz Henrique Keng; Maia, Lauro June Queiroz; de Santana, Ricardo Costa; Martins, Felipe Terra","A Blue-Light-Emitting Cadmium Coordination Polymer with 75.4% Photoluminescence Quantum Yield.","Journal of the American Chemical Society","2019","141","8","3400","3403","10.1021/jacs.8b13561","","","0.71073","MoKα","","0.0301","0.0264","","","0.0711","0.074","","","","","","1.115","","","","has coordinates,has disorder","220960","2020-10-21","18:00:00",""
"4127790","16.8628","0.0012","20.1743","0.0015","27.8022","0.0019","90","","90","","90","","9458.2","1.2","100","2","100","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C56 H32 As8 Ba8 O78 Pd13 -","- C56 H32 As8 Ba8 O78 Pd13 -","- C112 H64 As16 Ba16 O156 Pd26 -","2","0.25","","Bhattacharya, Saurav; Ayass, Wassim W.; Taffa, Dereje H.; Schneemann, Andreas; Semrau, A. Lisa; Wannapaiboon, Suttipong; Altmann, Philipp J.; Pöthig, Alexander; Nisar, Talha; Balster, Torsten; Burtch, Nicholas C.; Wagner, Veit; Fischer, Roland A.; Wark, Michael; Kortz, Ulrich","Discovery of Polyoxo-Noble-Metalate-Based Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","8","3385","3389","10.1021/jacs.8b13397","","","0.71073","MoKα","","0.0756","0.0601","","","0.1685","0.1761","","","","","","1.087","","","","has coordinates,has disorder","220961","2020-10-21","18:00:00",""
"4127791","15.387","0.006","3.6524","0.0016","12.755","0.006","90","","90","","90","","716.8","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H5 K Li N3 O5 -","- C3 K Li N3 O5 -","- C12 K4 Li4 N12 O20 -","4","1","","Lin, Donghong; Luo, Min; Lin, Chensheng; Xu, Feng; Ye, Ning","KLi(HC<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)·2H<sub>2</sub>O: Solvent-drop Grinding Method toward the Hydro-isocyanurate Nonlinear Optical Crystal.","Journal of the American Chemical Society","2019","141","8","3390","3394","10.1021/jacs.8b13280","","","0.71073","MoKα","","0.0287","0.0282","","","0.0803","0.0806","","","","","","1.001","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4127792","7.2556","0.0003","12.7487","0.0007","18.2452","0.0007","90","","91.333","0.004","90","","1687.21","0.13","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H27 Co N3 S2 Si -","- C11 H27 Co N3 S2 Si -","- C44 H108 Co4 N12 S8 Si4 -","4","1","","Gordon, Jesse B.; Vilbert, Avery C.; Siegler, Maxime A.; Lancaster, Kyle M.; Moënne-Loccoz, Pierre; Goldberg, David P.","A Nonheme Thiolate-Ligated Cobalt Superoxo Complex: Synthesis and Spectroscopic Characterization, Computational Studies, and Hydrogen Atom Abstraction Reactivity.","Journal of the American Chemical Society","2019","141","8","3641","3653","10.1021/jacs.8b13134","","","0.71073","MoKα","","0.0471","0.036","","","0.0788","0.0814","","","","","","0.927","","","","has coordinates,has disorder","220963","2020-10-21","18:00:00",""
"4127793","18.6494","0.0009","14.254","0.0007","20.795","0.0011","90","","98.803","0.003","90","","5462.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H77 Cl2 Ge2 P -","- C60 H77 Cl2 Ge2 P -","- C240 H308 Cl8 Ge8 P4 -","4","1","","Krebs, Kilian M.; Hanselmann, Dominik; Schubert, Hartmut; Wurst, Kai; Scheele, Marcus; Wesemann, Lars","Phosphine-Stabilized Digermavinylidene.","Journal of the American Chemical Society","2019","141","8","3424","3429","10.1021/jacs.8b13645","","","0.71073","MoKα","","0.0587","0.0518","","","0.1139","0.1162","","","","","","1.266","","","","has coordinates,has disorder","220964","2020-10-21","18:00:00",""
"4127794","9.5389","0.0002","16.2601","0.0004","16.9069","0.0004","83.432","0.001","81.179","0.001","88.272","0.001","2574.08","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H69 Ge2 P -","- C60 H69 Ge2 P -","- C120 H138 Ge4 P2 -","2","1","","Krebs, Kilian M.; Hanselmann, Dominik; Schubert, Hartmut; Wurst, Kai; Scheele, Marcus; Wesemann, Lars","Phosphine-Stabilized Digermavinylidene.","Journal of the American Chemical Society","2019","141","8","3424","3429","10.1021/jacs.8b13645","","","0.71073","MoKα","","0.0435","0.0315","","","0.0747","0.0796","","","","","","1.018","","","","has coordinates","220965","2020-10-21","18:00:00",""
"4127795","19.535","0.0006","19.535","0.0006","19.535","0.0006","90","","90","","90","","7454.9","0.4","100","2","100","2","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","","","- C6.67 H10 Ge0.67 N0.67 -","- C6.66667 H10 Ge0.666667 N0.666667 -","- C320 H480 Ge32 N32 -","48","2","","Krebs, Kilian M.; Hanselmann, Dominik; Schubert, Hartmut; Wurst, Kai; Scheele, Marcus; Wesemann, Lars","Phosphine-Stabilized Digermavinylidene.","Journal of the American Chemical Society","2019","141","8","3424","3429","10.1021/jacs.8b13645","","","0.71073","MoKα","","0.0503","0.0268","","","0.056","0.062","","","","","","1.086","","","","has coordinates","220966","2020-10-21","18:00:00",""
"4127796","10.8251","0.0004","28.5433","0.001","18.1586","0.0006","90","","91.12","0.002","90","","5609.6","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C65 H78 Ge2 P2 -","- C65 H78 Ge2 P2 -","- C260 H312 Ge8 P8 -","4","2","","Krebs, Kilian M.; Hanselmann, Dominik; Schubert, Hartmut; Wurst, Kai; Scheele, Marcus; Wesemann, Lars","Phosphine-Stabilized Digermavinylidene.","Journal of the American Chemical Society","2019","141","8","3424","3429","10.1021/jacs.8b13645","","","0.71073","MoKα","","0.0895","0.0581","","","0.1002","0.1117","","","","","","1.067","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4127797","28.5768","0.0002","28.5768","0.0002","9.68441","0.00009","90","","90","","120","","6849.06","0.09","100","","100","","","","","","","","","3","P 63","P 6c","173","","","","- C15 H30 O2 -","- C15 H30 O2 -","- C270 H540 O36 -","18","3","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0491","0.0437","","","0.1147","0.123","","","","","","1.068","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4127798","9.9823","0.0004","16.935","0.0005","11.0277","0.0004","90","","109.749","0.004","90","","1754.58","0.12","179.99","0.1","179.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C80 H120 O8 -","4","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","","0.71073","MoKα","","0.0835","0.0674","","","0.1577","0.1652","","","","","","1.024","","","","has coordinates","220969","2020-10-21","18:00:00",""
"4127799","5.29465","0.00006","19.8691","0.0002","39.0839","0.0004","90","","90","","90","","4111.62","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 O -","- C15 H28 O -","- C180 H336 O12 -","12","3","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.1002","0.0796","","","0.2066","0.2303","","","","","","1.092","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4127800","5.19326","0.00005","10.12354","0.00009","25.958","0.0002","90","","90","","90","","1364.72","0.02","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 O -","- C15 H28 O -","- C60 H112 O4 -","4","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0311","0.0301","","","0.0771","0.0777","","","","","","1.061","","","","has coordinates","220972","2020-10-21","18:00:00",""
"4127801","15.14","0.0003","8.47783","0.00014","22.8203","0.0004","90","","90","","90","","2929.08","0.09","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H30 O2 -","- C15 H30 O2 -","- C120 H240 O16 -","8","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0611","0.0488","","","0.1227","0.1347","","","","","","1.029","","","","has coordinates","220973","2020-10-21","18:00:00",""
"4127802","7.80152","0.00017","15.1999","0.0004","16.6629","0.0005","90","","90","","90","","1975.93","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 N O4 -","- C22 H31 N O4 -","- C88 H124 N4 O16 -","4","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0761","0.0536","","","0.0897","0.1006","","","","","","1.031","","","","has coordinates","220974","2020-10-21","18:00:00",""
"4127803","8.82878","0.00014","8.60788","0.00012","13.17393","0.00018","90","","103.457","0.0015","90","","973.69","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H34 O4 -","- C21 H34 O4 -","- C42 H68 O8 -","2","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.04","0.0383","","","0.1013","0.1033","","","","","","1.053","","","","has coordinates","220975","2020-10-21","18:00:00",""
"4127804","8.8017","0.0006","25.5888","0.0014","8.8696","0.0007","90","","112.309","0.009","90","","1848.1","0.2","179.99","0.1","179.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O3 -","- C20 H34 O3 -","- C80 H136 O12 -","4","2","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","","0.71073","MoKα","","0.0864","0.073","","","0.1741","0.1854","","","","","","1.053","","","","has coordinates","220976","2020-10-21","18:00:00",""
"4127805","15.6672","0.0001","15.6672","0.0001","6.9521","0.0001","90","","90","","120","","1477.85","0.03","100","2","100","2","","","","","","","","3","P 32","P 32","145","","","","- C20 H32 O -","- C20 H32 O -","- C60 H96 O3 -","3","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0585","0.0501","","","0.1217","0.1303","","","","","","1.075","","","","has coordinates","220977","2020-10-21","18:00:00",""
"4127806","16.7996","0.0008","7.775","0.0003","19.4691","0.001","90","","103.809","0.005","90","","2469.5","0.2","179.98","0.13","179.98","0.13","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H35 N O4 -","- C27 H35 N O4 -","- C108 H140 N4 O16 -","4","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","","0.71073","MoKα","","0.0425","0.0349","","","0.0826","0.0853","","","","","","1.041","","","","has coordinates","220978","2020-10-21","18:00:00",""
"4127807","10.0448","0.00016","10.66539","0.00017","12.99878","0.0002","90","","90","","90","","1392.58","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O -","- C15 H26 O -","- C60 H104 O4 -","4","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0297","0.0284","","","0.0745","0.0752","","","","","","1.052","","","","has coordinates","220979","2020-10-21","18:00:00",""
"4127808","5.2757","0.0002","12.2737","0.0005","14.991","0.0007","75.6814","0.0014","84.387","0.0013","80.6867","0.0012","926.45","0.07","298","2","298","2","","","","","","","","2","P -1","-P 1","2","","5,9,14,18-tetrabutyl-bisnaphtho[2',3':3,4]cyclobut[1,2-b:1',2'-i]anthracene","","- C50 H50 -","- C50 H50 -","- C50 H50 -","1","0.5","","Wang, Jinlian; Chu, Ming; Fan, Jian-Xun; Lau, Tsz-Ki; Ren, Ai-Min; Lu, Xinhui; Miao, Qian","Crystal Engineering of Biphenylene-Containing Acenes for High-Mobility Organic Semiconductors.","Journal of the American Chemical Society","2019","141","8","3589","3596","10.1021/jacs.8b12671","","","0.71073","MoKα","","0.1057","0.0807","","","0.2243","0.26","","","","","","1.032","","","","has coordinates","220980","2020-10-21","18:00:00",""
"4127809","7.457","0.0004","17.701","0.0011","18.1186","0.001","73.7794","0.0017","78.4187","0.0018","79.3591","0.0019","2228.5","0.2","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","5,9,14,18-tetrahexyl-bisnaphtho[2',3':3,4]cyclobut[1,2-b:1',2'-i]anthracene","","- C58 H66 -","- C58 H66 -","- C116 H132 -","2","1","","Wang, Jinlian; Chu, Ming; Fan, Jian-Xun; Lau, Tsz-Ki; Ren, Ai-Min; Lu, Xinhui; Miao, Qian","Crystal Engineering of Biphenylene-Containing Acenes for High-Mobility Organic Semiconductors.","Journal of the American Chemical Society","2019","141","8","3589","3596","10.1021/jacs.8b12671","","","0.71073","MoKα","","0.0978","0.0717","","","0.1775","0.1945","","","","","","1.061","","","","has coordinates,has disorder","220981","2020-10-21","18:00:00",""
"4127810","18.5667","0.0008","5.4401","0.0002","26.2707","0.001","90","","100.313","0.0013","90","","2610.59","0.18","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","5,9,14,18-tetraoctyl-bisnaphtho[2',3':3,4]cyclobut[1,2-b:1',2'-i]anthracene","","- C66 H82 -","- C66 H82 -","- C132 H164 -","2","0.5","","Wang, Jinlian; Chu, Ming; Fan, Jian-Xun; Lau, Tsz-Ki; Ren, Ai-Min; Lu, Xinhui; Miao, Qian","Crystal Engineering of Biphenylene-Containing Acenes for High-Mobility Organic Semiconductors.","Journal of the American Chemical Society","2019","141","8","3589","3596","10.1021/jacs.8b12671","","","0.71073","MoKα","","0.1222","0.0712","","","0.1742","0.2024","","","","","","1.019","","","","has coordinates","220982","2020-10-21","18:00:00",""
"4127811","11.9595","0.0007","12.1909","0.0007","13.5416","0.0008","83.5564","0.0015","78.4471","0.0015","64.2983","0.0014","1742.23","0.18","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","5,9,14,18-tetrahexyl-7,16-bis(triisopropylethynyl)bisnaphtho[2',3':3,4]cyclobut[1,2-b:1',2'-i]anthracene","","- C80 H106 Si2 -","- C80 H106 Si2 -","- C80 H106 Si2 -","1","0.5","","Wang, Jinlian; Chu, Ming; Fan, Jian-Xun; Lau, Tsz-Ki; Ren, Ai-Min; Lu, Xinhui; Miao, Qian","Crystal Engineering of Biphenylene-Containing Acenes for High-Mobility Organic Semiconductors.","Journal of the American Chemical Society","2019","141","8","3589","3596","10.1021/jacs.8b12671","","","0.71073","MoKα","","0.1517","0.094","","","0.2228","0.2566","","","","","","1.07","","","","has coordinates","220983","2020-10-21","18:00:00",""
"4127812","8.4074","0.0002","22.0519","0.0005","13.4051","0.0003","90","","93.3748","0.0013","90","","2480.98","0.1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,9,14,18-tetramethyl-7,16-bis(triisopropylethynyl)bisnaphtho[2',3':3,4]cyclobut[1,2-b:1',2'-i]anthracene","","- C60 H66 Si2 -","- C60 H66 Si2 -","- C120 H132 Si4 -","2","0.5","","Wang, Jinlian; Chu, Ming; Fan, Jian-Xun; Lau, Tsz-Ki; Ren, Ai-Min; Lu, Xinhui; Miao, Qian","Crystal Engineering of Biphenylene-Containing Acenes for High-Mobility Organic Semiconductors.","Journal of the American Chemical Society","2019","141","8","3589","3596","10.1021/jacs.8b12671","","","0.71073","MoKα","","0.089","0.0626","","","0.1711","0.1942","","","","","","1.036","","","","has coordinates","220984","2020-10-21","18:00:00",""
"4127813","8.437","0.003","13.211","0.005","15.74","0.006","86.979","0.005","86.428","0.005","84.577","0.005","1741.2","1.1","290","","290","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H10 F6 N2 O2 Pd -","- C17 H10 F6 N2 O2 Pd -","- C68 H40 F24 N8 O8 Pd4 -","4","2","","Khalil, Abdullah; Karothu, Durga Prasad; Naumov, Panče","Direct Quantification of Rapid and Efficient Single-Stroke Actuation by a Martensitic Transition in a Thermosalient Crystal.","Journal of the American Chemical Society","2019","141","8","3371","3375","10.1021/jacs.8b12752","","x-ray","0.71073","MoKα","","0.0391","0.0318","","","0.0738","0.0801","","","","","","1.075","","","","has coordinates","220985","2020-10-21","18:00:00",""
"4127814","10.1368","0.0004","16.7143","0.0007","39.9206","0.0018","90","","90","","90","","6763.7","0.5","230","2","230","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H46 B Cl N2 O4 -","- C33 H46 B Cl N2 O4 -","- C264 H368 B8 Cl8 N16 O32 -","8","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0772","0.0534","","","0.1462","0.1596","","","","","","1.29","","","","has coordinates","220986","2020-10-21","18:00:00",""
"4127815","14.5624","0.0006","18.4649","0.0007","38.235","0.0015","90","","90","","90","","10281.1","0.7","230","2","230","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H31 B N2 O4 -","- C26 H31 B N2 O4 -","- C416 H496 B16 N32 O64 -","16","2","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0697","0.0496","","","0.1441","0.1561","","","","","","1.443","","","","has coordinates","220987","2020-10-21","18:00:00",""
"4127816","8.3105","0.0004","9.8008","0.0005","9.9682","0.0005","74.16","0.004","81.438","0.004","70.283","0.003","733.83","0.07","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 B N2 O4 -","- C14 H17 B N2 O4 -","- C28 H34 B2 N4 O8 -","2","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0669","0.0564","","","0.1624","0.1716","","","","","","1.678","","","","has coordinates","220988","2020-10-21","18:00:00",""
"4127817","18.2555","0.0014","10.0709","0.0006","9.1697","0.0006","90","","90","","90","","1685.8","0.2","230","2","230","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H23 B N2 O4 -","- C14 H23 B N2 O4 -","- C56 H92 B4 N8 O16 -","4","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0712","0.0525","","","0.1305","0.1473","","","","","","1.052","","","","has coordinates","220989","2020-10-21","18:00:00",""
"4127818","10.2645","0.0004","15.635","0.0006","19.4355","0.0008","90","","101.166","0.002","90","","3060.1","0.2","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H43 B N2 O4 -","- C32 H43 B N2 O4 -","- C128 H172 B4 N8 O16 -","4","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0617","0.0495","","","0.141","0.1483","","","","","","1.414","","","","has coordinates","220990","2020-10-21","18:00:00",""
"4127819","10.2682","0.0004","25.7454","0.0011","10.526","0.0005","90","","96.999","0.003","90","","2761.9","0.2","230","2","230","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 B Cl N2 O4 -","- C27 H34 B Cl N2 O4 -","- C108 H136 B4 Cl4 N8 O16 -","4","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0673","0.0512","","","0.1473","0.1551","","","","","","1.394","","","","has coordinates","220991","2020-10-21","18:00:00",""
"4127820","17.9193","0.0014","6.1437","0.0004","14.5047","0.0011","90","","90","","90","","1596.8","0.2","230","2","230","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H23 B N2 O4 -","- C14 H23 B N2 O4 -","- C56 H92 B4 N8 O16 -","4","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0546","0.0418","","","0.0742","0.0776","","","","","","1.462","","","","has coordinates","220992","2020-10-21","18:00:00",""
"4127821","9.5672","0.0011","3.2014","0.0005","6.104","0.0007","90","","90","","90","","186.96","0.04","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- B Na2 P2 -","- B0.94 Na2 P2 -","- B1.88 Na4 P4 -","2","0.25","","Woo, Katherine E.; Wang, Jian; Mark, Justin; Kovnir, Kirill","Directing Boron-Phosphorus Bonds in Crystalline Solid: Oxidative Polymerization of P═B═P Monomers into 1D Chains.","Journal of the American Chemical Society","2019","141","33","13017","13021","10.1021/jacs.9b06803","","","0.71073","MoKα","","0.082","0.0505","","","0.1157","0.1275","","","","","","1.124","","","","has coordinates","220993","2020-10-21","18:00:00",""
"4127822","9.0087","0.0007","12.5422","0.001","9.4589","0.0007","90","","110.777","0.002","90","","999.25","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N4 -","- C11 H12 N4 -","- C44 H48 N16 -","4","1","","Xia, Ying; Ochi, Shusuke; Dong, Guangbin","Two-Carbon Ring Expansion of 1-Indanones via Insertion of Ethylene into Carbon-Carbon Bonds.","Journal of the American Chemical Society","2019","141","33","13038","13042","10.1021/jacs.9b07445","","","0.71073","MoKα","","0.0576","0.039","","","0.0929","0.1028","","","","","","1.034","","","","has coordinates","220994","2020-10-21","18:00:00",""
"4127823","7.2034","0.0004","14.0718","0.0009","17.7298","0.001","90","","90","","90","","1797.18","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O2 -","- C23 H28 O2 -","- C92 H112 O8 -","4","1","","Xia, Ying; Ochi, Shusuke; Dong, Guangbin","Two-Carbon Ring Expansion of 1-Indanones via Insertion of Ethylene into Carbon-Carbon Bonds.","Journal of the American Chemical Society","2019","141","33","13038","13042","10.1021/jacs.9b07445","","","0.71073","MoKα","","0.0821","0.0508","","","0.0908","0.1001","","","","","","1.018","","","","has coordinates","220995","2020-10-21","18:00:00",""
"4127824","22.6075","0.0003","14.13495","0.00015","24.5014","0.0003","90","","105.367","0.0012","90","","7549.65","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C116 H266 K8 N32 O P8 -","- C116 H266 K8 N32 O0.5 P8 -","- C232 H532 K16 N64 O P16 -","2","0.5","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Bacsa, John; Batista, Enrique R.; Yang, Ping; Telser, Joshua; La Pierre, Henry S.","Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex.","Journal of the American Chemical Society","2019","141","33","13222","13233","10.1021/jacs.9b06622","","x-ray","0.71073","MoKα","","0.055","0.0392","","","0.0996","0.1054","","","","","","1.048","","","","has coordinates,has disorder","220996","2020-10-21","18:00:00",""
"4127825","22.4833","0.0011","15.9381","0.0008","25.5112","0.0016","90","","114.512","0.002","90","","8317.8","0.8","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H138 K N16 O P4 Tb -","- C60 H138 K N16 O P4 Tb -","- C240 H552 K4 N64 O4 P16 Tb4 -","4","0.5","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Bacsa, John; Batista, Enrique R.; Yang, Ping; Telser, Joshua; La Pierre, Henry S.","Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex.","Journal of the American Chemical Society","2019","141","33","13222","13233","10.1021/jacs.9b06622","","","0.71073","MoKα","","0.0381","0.0327","","","0.0863","0.0889","","","","","","1.042","","","","has coordinates,has disorder","220997","2020-10-21","18:00:00",""
"4127826","24.279","0.005","14.385","0.003","23.002","0.005","90","","108.768","0.007","90","","7606","3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C64 H129 K N16 O P4 Tb -","- C64 H129 K N16 O P4 Tb -","- C256 H516 K4 N64 O4 P16 Tb4 -","4","1","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Bacsa, John; Batista, Enrique R.; Yang, Ping; Telser, Joshua; La Pierre, Henry S.","Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex.","Journal of the American Chemical Society","2019","141","33","13222","13233","10.1021/jacs.9b06622","","","0.71073","MoKα","","0.0977","0.0576","","","0.1097","0.1283","","","","","","1.026","","","","has coordinates","220998","2020-10-21","18:00:00",""
"4127827","13.2756","0.0008","13.2756","0.0008","21.077","0.003","90","","90","","90","","3714.6","0.6","107","2","107.43","","","","","","","","","5","I -4","I -4","82","","","","- C66 H152 N16 P4 Tb -","- C66 H152 N16 P4 Tb -","- C132 H304 N32 P8 Tb2 -","2","0.25","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Bacsa, John; Batista, Enrique R.; Yang, Ping; Telser, Joshua; La Pierre, Henry S.","Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex.","Journal of the American Chemical Society","2019","141","33","13222","13233","10.1021/jacs.9b06622","","","0.71073","MoKα","","0.0375","0.0362","","","0.0721","0.073","","","","","","1.052","","","","has coordinates,has disorder","220999","2020-10-21","18:00:00",""
"4127828","22.587","0.003","15.454","0.002","25.702","0.004","90","","114.727","0.005","90","","8149","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H148 K N16 O2 P4 Tb -","- C64 H148 K N16 O2 P4 Tb -","- C256 H592 K4 N64 O8 P16 Tb4 -","4","1","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Bacsa, John; Batista, Enrique R.; Yang, Ping; Telser, Joshua; La Pierre, Henry S.","Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex.","Journal of the American Chemical Society","2019","141","33","13222","13233","10.1021/jacs.9b06622","","","0.71073","MoKα","","0.1015","0.0846","","","0.1845","0.1944","","","","","","1.219","","","","has coordinates,has disorder","221000","2020-10-21","18:00:00",""
"4127829","7.0268","0.0003","7.1474","0.0003","24.4123","0.0009","87.164","0.003","86.258","0.003","68.098","0.004","1134.73","0.09","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H28 F N3 O4 S2 -","- C21 H28 F N3 O4 S2 -","- C42 H56 F2 N6 O8 S4 -","2","1","","Zhang, Ze-Xin; Davies, Thomas Q.; Willis, Michael C.","Modular Sulfondiimine Synthesis Using a Stable Sulfinylamine Reagent.","Journal of the American Chemical Society","2019","141","33","13022","13027","10.1021/jacs.9b06831","","","0.71073","MoKα","","0.072","0.0559","","0.138","0.1305","0.1356","","","","","","1.0463","","","","has coordinates","221001","2020-10-21","18:00:00",""
"4127830","10.3058","0.0005","12.4812","0.0006","36.471","0.0019","90","","97.19","0.004","90","","4654.3","0.4","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H33 N3 O4 S2 -","- C19 H33 N3 O4 S2 -","- C152 H264 N24 O32 S16 -","8","2","","Zhang, Ze-Xin; Davies, Thomas Q.; Willis, Michael C.","Modular Sulfondiimine Synthesis Using a Stable Sulfinylamine Reagent.","Journal of the American Chemical Society","2019","141","33","13022","13027","10.1021/jacs.9b06831","","","0.71073","MoKα","","0.1293","0.0875","","0.186","0.1699","0.1784","","","","","","1.0869","","","","has coordinates,has disorder","221002","2020-10-21","18:00:00",""
"4127831","11.0832","0.0004","11.576","0.0004","12.3004","0.0004","104.834","0.003","106.298","0.003","104.704","0.003","1371.07","0.1","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H32 F N3 O4 S2 -","- C27 H32 F N3 O4 S2 -","- C54 H64 F2 N6 O8 S4 -","2","1","","Zhang, Ze-Xin; Davies, Thomas Q.; Willis, Michael C.","Modular Sulfondiimine Synthesis Using a Stable Sulfinylamine Reagent.","Journal of the American Chemical Society","2019","141","33","13022","13027","10.1021/jacs.9b06831","","","0.71073","MoKα","","0.0657","0.0487","","0.1297","0.1186","0.1297","","","","","","0.9668","","","","has coordinates","221003","2020-10-21","18:00:00",""
"4127832","13.8502","0.0006","13.9872","0.0006","14.9552","0.0006","68.9353","0.0013","84.644","0.0014","62.9903","0.0013","2400.19","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","AFM-I-062A","","","- C24.5 H14 Cl F8 Ir0.5 N2 O2 P0.5 -","- C24.5 H14 Cl F8 Ir0.5 N2 O2 P0.5 -","- C98 H56 Cl4 F32 Ir2 N8 O8 P2 -","4","2","","Morton, Carla M.; Zhu, Qilei; Ripberger, Hunter; Troian-Gautier, Ludovic; Toa, Zi S. D.; Knowles, Robert R.; Alexanian, Erik J.","C-H Alkylation via Multisite-Proton-Coupled Electron Transfer of an Aliphatic C-H Bond.","Journal of the American Chemical Society","2019","141","33","13253","13260","10.1021/jacs.9b06834","","","0.71073","MoKα","","0.0324","0.0263","","","0.0578","0.0601","","","","","","1.092","","","","has coordinates,has disorder","221004","2020-10-21","18:00:00",""
"4127833","37.888","0.002","37.888","0.002","54.616","0.004","90","","90","","120","","67898","7","250","2","250","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- C110 H62 O12 -","- C110 H62 O12 -","- C660 H372 O72 -","6","0.5","","Li, Penghao; Chen, Zhijie; Ryder, Matthew R.; Stern, Charlotte L.; Guo, Qing-Hui; Wang, Xingjie; Farha, Omar K.; Stoddart, J. Fraser","Assembly of a Porous Supramolecular Polyknot from Rigid Trigonal Prismatic Building Blocks.","Journal of the American Chemical Society","2019","141","33","12998","13002","10.1021/jacs.9b06445","","","1.54178","CuKα","","0.0734","0.0376","","","0.1009","0.1319","","","","","","0.641","","","","has coordinates,has disorder","221005","2020-10-21","18:00:00",""
"4127834","32.668","0.002","17.4136","0.0013","37.113","0.003","90","","99.1282","0.0014","90","","20845","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C102 H238 Ag33 O34 P17 Pt2 S34 -","- C102 H238 Ag33 O34 P17 Pt2 S34 -","- C408 H952 Ag132 O136 P68 Pt8 S136 -","4","0.5","","Chiu, Tzu-Hao; Liao, Jian-Hong; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Homoleptic Platinum/Silver Superatoms Protected by Dithiolates: Linear Assemblies of Two and Three Centered Icosahedra Isolobal to Ne<sub>2</sub> and I<sub>3</sub><sup/>.","Journal of the American Chemical Society","2019","141","33","12957","12961","10.1021/jacs.9b05000","","","0.71073","MoKα","","0.0578","0.046","","","0.0993","0.1055","","","","","","1.143","","","","has coordinates","221006","2020-10-21","18:00:00",""
"4127835","19.7461","0.0004","42.9207","0.0009","32.3401","0.0006","90","","96.5225","0.0005","90","","27231.4","0.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C132 H308 Ag44 O44 P22 Pt3 S44 -","- C132 H308 Ag44 O44 P22 Pt3 S44 -","- C528 H1232 Ag176 O176 P88 Pt12 S176 -","4","1","","Chiu, Tzu-Hao; Liao, Jian-Hong; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Homoleptic Platinum/Silver Superatoms Protected by Dithiolates: Linear Assemblies of Two and Three Centered Icosahedra Isolobal to Ne<sub>2</sub> and I<sub>3</sub><sup/>.","Journal of the American Chemical Society","2019","141","33","12957","12961","10.1021/jacs.9b05000","","","0.71073","MoKα","","0.0447","0.0282","","","0.054","0.0599","","","","","","1.035","","","","has coordinates,has disorder","221007","2020-10-21","18:00:00",""
"4127836","30.0959","0.0009","17.3885","0.0006","29.7671","0.0009","90","","109.472","0.001","90","","14686.8","0.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H175 Ag20 O24 P12 Pt S24 -","- C75 H175 Ag20 O24 P12 Pt S24 -","- C300 H700 Ag80 O96 P48 Pt4 S96 -","4","1","","Chiu, Tzu-Hao; Liao, Jian-Hong; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Homoleptic Platinum/Silver Superatoms Protected by Dithiolates: Linear Assemblies of Two and Three Centered Icosahedra Isolobal to Ne<sub>2</sub> and I<sub>3</sub><sup/>.","Journal of the American Chemical Society","2019","141","33","12957","12961","10.1021/jacs.9b05000","","","0.71073","MoKα","","0.0735","0.0409","","","0.0796","0.0937","","","","","","1.023","","","","has coordinates,has disorder","221008","2020-10-21","18:00:00",""
"4127837","10.9617","0.0003","13.0994","0.0004","12.8416","0.0004","90","","91.757","0.001","90","","1843.08","0.09","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H70 Tb -","- C40 H70 Tb -","- C80 H140 Tb2 -","2","0.5","","Gould, Colin A.; McClain, K. Randall; Yu, Jason M.; Groshens, Thomas J.; Furche, Filipp; Harvey, Benjamin G.; Long, Jeffrey R.","Synthesis and Magnetism of Neutral, Linear Metallocene Complexes of Terbium(II) and Dysprosium(II).","Journal of the American Chemical Society","2019","141","33","12967","12973","10.1021/jacs.9b05816","","","0.71073","MoKα","","0.0349","0.0299","","","0.074","0.0796","","","","","","1.077","","","","has coordinates","221009","2020-10-21","18:00:00",""
"4127838","15.2155","0.0006","23.1873","0.0009","16.8829","0.0007","90","","90.943","0.001","90","","5955.6","0.4","100","2","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H70 B F20 Tb -","- C64 H70 B F20 Tb -","- C256 H280 B4 F80 Tb4 -","4","1","","Gould, Colin A.; McClain, K. Randall; Yu, Jason M.; Groshens, Thomas J.; Furche, Filipp; Harvey, Benjamin G.; Long, Jeffrey R.","Synthesis and Magnetism of Neutral, Linear Metallocene Complexes of Terbium(II) and Dysprosium(II).","Journal of the American Chemical Society","2019","141","33","12967","12973","10.1021/jacs.9b05816","","","0.71073","MoKα","","0.0716","0.0563","","","0.1506","0.1632","","","","","","1.018","","","","has coordinates,has disorder","221010","2020-10-21","18:00:00",""
"4127839","11.02","0.0005","13.0196","0.0006","12.8467","0.0008","90","","91.917","0.005","90","","1842.16","0.17","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H70 Dy -","- C40 H70 Dy -","- C80 H140 Dy2 -","2","0.5","","Gould, Colin A.; McClain, K. Randall; Yu, Jason M.; Groshens, Thomas J.; Furche, Filipp; Harvey, Benjamin G.; Long, Jeffrey R.","Synthesis and Magnetism of Neutral, Linear Metallocene Complexes of Terbium(II) and Dysprosium(II).","Journal of the American Chemical Society","2019","141","33","12967","12973","10.1021/jacs.9b05816","","","0.71073","MoKα","","0.061","0.0522","","","0.1164","0.1216","","","","","","1.077","","","","has coordinates","221011","2020-10-21","18:00:00",""
"4127840","14.4891","0.0001","18.8696","0.0002","8.5264","0.0001","90","","90","","90","","2331.15","0.04","85","2","85","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C25 H18 B D6 F N8 Ni -","- C25 H18 B D6 F N8 Ni -","- C100 H72 B4 D24 F4 N32 Ni4 -","4","0.5","","Meucci, Elizabeth A.; Ariafard, Alireza; Canty, Allan J.; Kampf, Jeff W.; Sanford, Melanie S.","Aryl-Fluoride Bond-Forming Reductive Elimination from Nickel(IV) Centers.","Journal of the American Chemical Society","2019","141","33","13261","13267","10.1021/jacs.9b06896","","","1.54184","CuKα","","0.0304","0.0303","","","0.0761","0.0762","","","","","","1.104","","","","has coordinates","221012","2020-10-21","18:00:00",""
"4127841","9.2604","0.0005","9.8874","0.0007","22.7259","0.0012","83.059","0.005","84.064","0.004","89.979","0.005","2054.3","0.2","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 Ni O -","- C26 H24 N2 Ni O -","- C104 H96 N8 Ni4 O4 -","4","2","","Meucci, Elizabeth A.; Ariafard, Alireza; Canty, Allan J.; Kampf, Jeff W.; Sanford, Melanie S.","Aryl-Fluoride Bond-Forming Reductive Elimination from Nickel(IV) Centers.","Journal of the American Chemical Society","2019","141","33","13261","13267","10.1021/jacs.9b06896","","","1.54178","CuKα","","0.0612","0.0467","","","0.1211","0.1257","","","","","","1.041","","","","has coordinates","221012","2020-10-21","18:00:00",""
"4127842","13.45292","0.0001","17.12816","0.00013","23.425","0.0002","90","","90","","90","","5397.68","0.07","180","0.1","180","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H44 Cr F18 N6 O3 P3 -","- C52 H44 Cr F18 N6 O3 P3 -","- C208 H176 Cr4 F72 N24 O12 P12 -","4","1","","Jiménez, Juan-Ramón; Doistau, Benjamin; Cruz, Carlos M.; Besnard, Céline; Cuerva, Juan M.; Campaña, Araceli G; Piguet, Claude","Chiral Molecular Ruby [Cr(dqp)<sub>2</sub>]<sup>3+</sup> with Long-Lived Circularly Polarized Luminescence.","Journal of the American Chemical Society","2019","141","33","13244","13252","10.1021/jacs.9b06524","","x-ray","1.54184","CuKα","","0.0363","0.0356","","","0.0915","0.0924","","","","","","1.028","","","","has coordinates,has disorder","221013","2020-10-21","18:00:00",""
"4127843","11.1216","0.0004","13.142","0.0004","17.3331","0.0007","86.51","0.003","80.088","0.003","84.768","0.003","2482.56","0.16","180","2","180.15","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H33 Cr F9 N7 O9 S3 -","- C51 H33 Cr F9 N7 O9 S3 -","- C102 H66 Cr2 F18 N14 O18 S6 -","2","1","","Jiménez, Juan-Ramón; Doistau, Benjamin; Cruz, Carlos M.; Besnard, Céline; Cuerva, Juan M.; Campaña, Araceli G; Piguet, Claude","Chiral Molecular Ruby [Cr(dqp)<sub>2</sub>]<sup>3+</sup> with Long-Lived Circularly Polarized Luminescence.","Journal of the American Chemical Society","2019","141","33","13244","13252","10.1021/jacs.9b06524","","","1.54184","CuKα","","0.0371","0.035","","","0.094","0.0962","","","","","","1.0434","","","","has coordinates","221014","2020-10-21","18:00:00",""
"4127844","18.123","0.0008","18.123","0.0008","11.2238","0.0007","90","","90","","120","","3192.5","0.3","298","","298","","","","","","","","","5","P 32","P 32","145","","","MUV-11","- C28.21 H25.82 N7.4 O13.4 Ti2 -","- C28.209 H25.821 N7.403 O13.403 Ti2 -","- C84.627 H77.4629 N22.209 O40.209 Ti6 -","3","1","","Padial, Natalia M.; Castells-Gil, Javier; Almora-Barrios, Neyvis; Romero-Angel, María; da Silva, Iván; Barawi, Mariam; García-Sánchez, Alba; de la Peña O'Shea, Víctor A; Martí-Gastaldo, Carlos","Hydroxamate Titanium-Organic Frameworks and the Effect of Siderophore-Type Linkers over Their Photocatalytic Activity.","Journal of the American Chemical Society","2019","141","33","13124","13133","10.1021/jacs.9b04915","powder diffraction","","0.41307","synchrotron","","0.426454","","","","","","","","1.27354","","","","","","","has coordinates","221015","2020-10-21","18:00:00",""
"4127845","8.4379","0.0004","11.3975","0.0005","28.3831","0.0013","90","","90","","90","","2729.6","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 N O4 S -","- C32 H41 N O4 S -","- C128 H164 N4 O16 S4 -","4","1","","Guo, Lian-Dong; Hu, Jingping; Zhang, Yan; Tu, Wentong; Zhang, Yue; Pu, Fan; Xu, Jing","Enantioselective Total Synthesis of (-)-Caldaphnidine O via a Radical Cyclization Cascade.","Journal of the American Chemical Society","2019","141","33","13043","13048","10.1021/jacs.9b07558","","x-ray","0.71073","MoKα","","0.0378","0.0329","","","0.0749","0.0768","","","","","","1.044","","","","has coordinates","221016","2020-10-21","18:00:00",""
"4127846","9.5539","0.0004","12.1097","0.0005","12.261","0.0005","96.913","0.001","94.194","0.001","99.17","0.001","1384.04","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H41 N O4 S -","- C32 H41 N O4 S -","- C64 H82 N2 O8 S2 -","2","1","","Guo, Lian-Dong; Hu, Jingping; Zhang, Yan; Tu, Wentong; Zhang, Yue; Pu, Fan; Xu, Jing","Enantioselective Total Synthesis of (-)-Caldaphnidine O via a Radical Cyclization Cascade.","Journal of the American Chemical Society","2019","141","33","13043","13048","10.1021/jacs.9b07558","","x-ray","0.71073","MoKα","","0.0477","0.0375","","","0.0918","0.0982","","","","","","1.028","","","","has coordinates","221017","2020-10-21","18:00:00",""
"4127847","21.4691","0.0005","21.4691","0.0005","6.848","0.0002","90","","90","","120","","2733.52","0.12","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(2-ampd)1.76(C7H8)0.79","","","- C30.09 H36.96 N3.52 O6 Zn2 -","- C30.069 H39.297 N3.76 O6 Zn2 -","- C90.207 H117.891 N11.28 O18 Zn6 -","3","0.5","","Siegelman, Rebecca L.; Milner, Phillip J.; Forse, Alexander C.; Lee, Jung-Hoon; Colwell, Kristen A.; Neaton, Jeffrey B.; Reimer, Jeffrey A.; Weston, Simon C.; Long, Jeffrey R.","Water Enables Efficient CO<sub>2</sub> Capture from Natural Gas Flue Emissions in an Oxidation-Resistant Diamine-Appended Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","33","13171","13186","10.1021/jacs.9b05567","","","0.7288","synchrotron","","0.0474","0.0371","","","0.0915","0.0973","","","","","","1.061","","","","has coordinates,has disorder","221018","2020-10-21","18:00:00",""
"4127848","5.0969","0.0003","18.5652","0.0011","8.4393","0.0005","90","","102.214","0.004","90","","780.49","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-ampd-CO2","","","- C7 H14 N2 O2 -","- C7 H14 N2 O2 -","- C28 H56 N8 O8 -","4","1","","Siegelman, Rebecca L.; Milner, Phillip J.; Forse, Alexander C.; Lee, Jung-Hoon; Colwell, Kristen A.; Neaton, Jeffrey B.; Reimer, Jeffrey A.; Weston, Simon C.; Long, Jeffrey R.","Water Enables Efficient CO<sub>2</sub> Capture from Natural Gas Flue Emissions in an Oxidation-Resistant Diamine-Appended Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","33","13171","13186","10.1021/jacs.9b05567","","","0.7288","synchrotron","","0.0643","0.0522","","","0.1291","0.1362","","","","","","1.127","","","","has coordinates","221019","2020-10-21","18:00:00",""
"4127849","6.30661","0.00005","8.76884","0.00007","31.4352","0.0002","90","","90","","90","","1738.42","0.02","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 F N2 O S -","- C20 H19 F N2 O S -","- C80 H76 F4 N8 O4 S4 -","4","1","","He, Zhi-Tao; Jiang, Xingyu; Hartwig, John F.","Stereodivergent Construction of Tertiary Fluorides in Vicinal Stereogenic Pairs by Allylic Substitution with Iridium and Copper Catalysts.","Journal of the American Chemical Society","2019","141","33","13066","13073","10.1021/jacs.9b04440","","x-ray","1.54184","CuKα","","0.0279","0.0275","","","0.0672","0.0675","","","","","","1.051","","","","has coordinates,has disorder","221020","2020-10-21","18:00:00",""
"4127850","13.63616","0.00009","8.38855","0.00005","15.53968","0.0001","90","","107.817","0.0007","90","","1692.3","0.02","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H16 F N O2 S -","- C19 H16 F N O2 S -","- C76 H64 F4 N4 O8 S4 -","4","2","","He, Zhi-Tao; Jiang, Xingyu; Hartwig, John F.","Stereodivergent Construction of Tertiary Fluorides in Vicinal Stereogenic Pairs by Allylic Substitution with Iridium and Copper Catalysts.","Journal of the American Chemical Society","2019","141","33","13066","13073","10.1021/jacs.9b04440","","","1.54184","CuKα","","0.0254","0.0252","","","0.0665","0.0666","","","","","","1.046","","","","has coordinates","221021","2020-10-21","18:00:00",""
"4127851","16.025","0.0006","26.0513","0.0008","32.5801","0.0011","90","","102.513","0.004","90","","13278.2","0.8","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H134 F2 Fe K2 O16 S2 -","- C88 H134 F2 Fe K2 O16 S2 -","- C352 H536 F8 Fe4 K8 O64 S8 -","4","1","","Speelman, Amy L.; Čorić, Ilija; Van Stappen, Casey; DeBeer, Serena; Mercado, Brandon Q.; Holland, Patrick L.","Nitrogenase-Relevant Reactivity of a Synthetic Iron-Sulfur-Carbon Site.","Journal of the American Chemical Society","2019","141","33","13148","13157","10.1021/jacs.9b05353","","","0.71073","MoKα","","0.0963","0.0602","","","0.1513","0.1696","","","","","","1.036","","","","has coordinates,has disorder","221022","2020-10-21","18:00:00",""
"4127852","6.072","0.0006","6.072","0.0006","3.469","0.0003","90","","90","","120","","110.764","0.018","100","","100","","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- B4.27 K O3 -","- B4.27 K O3 -","- B4.27 K O3 -","1","0.0833333","","Kambe, Tetsuya; Hosono, Reina; Imaoka, Shotaro; Kuzume, Akiyoshi; Yamamoto, Kimihisa","Solution Phase Mass Synthesis of 2D Atomic Layer with Hexagonal Boron Network.","Journal of the American Chemical Society","2019","141","33","12984","12988","10.1021/jacs.9b06110","","","1.54184","CuKα","","0.0992","0.0992","","","0.2218","0.2218","","","","","","1.323","","","","has coordinates,has disorder","221023","2020-10-21","18:00:00",""
"4127853","20.0504","0.001","23.9374","0.001","38.7986","0.0018","90","","92.015","0.003","90","","18610","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C80","N,N',N'',N''',N''''-pentakis(2,6-diisopropylphenyl)pentanaphtho [3,4,4a,5,6-bcde:3,4,4a,5,6-ghij:3,4,4a,5,6-lmno:3,4,4a,5,6- qrst:3,4,4a,5,6-vwxy]circumcorannulene-4,5:8,9:1,20:12,13:16,17- pentakis(dicarboximide)","","- C140 H95 N5 O10 -","- C140 H95 N5 O10 -","- C560 H380 N20 O40 -","4","1","","Shoyama, Kazutaka; Würthner, Frank","Synthesis of a Carbon Nanocone by Cascade Annulation.","Journal of the American Chemical Society","2019","141","33","13008","13012","10.1021/jacs.9b06617","","","1.54178","CuKα","","0.1228","0.0857","","","0.2454","0.2709","","","","","","0.971","","","","has coordinates,has disorder","221024","2020-10-21","18:00:00",""
"4127854","20.0998","0.0009","23.9062","0.001","38.7241","0.0016","90","","91.72","0.002","90","","18598.9","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C80","N,N',N'',N''',N'''-pentakis(2,6-diisopropylphenyl)pentanaphtho [3,4,4a,5,6-bcde:3,4,4a,5,6-ghij:3,4,4a,5,6-lmno:3,4,4a,5,6- qrst:3,4,4a,5,6-vwxy]circumcorannulene-4,5:8,9:1,20:12,13:16,17- pentakis(dicarboximide)","","- C140 H95 N5 O10 -","- C140 H95 N5 O10 -","- C560 H380 N20 O40 -","4","1","","Shoyama, Kazutaka; Würthner, Frank","Synthesis of a Carbon Nanocone by Cascade Annulation.","Journal of the American Chemical Society","2019","141","33","13008","13012","10.1021/jacs.9b06617","","","1.54184","CuKα","","0.1199","0.1007","","","0.3224","0.3459","","","","","","1.31","","","","has coordinates,has disorder","221025","2020-10-21","18:00:00",""
"4127855","11.2241","0.0007","9.8503","0.0006","22.2709","0.0015","90","","103.062","0.002","90","","2398.6","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H84 Al2 Fe2 N6 P4 -","- C38 H84 Al2 Fe2 N6 P4 -","- C76 H168 Al4 Fe4 N12 P8 -","2","0.5","","Gorgas, Nikolaus; Brünig, Julian; Stöger, Berthold; Vanicek, Stefan; Tilset, Mats; Veiros, Luis F.; Kirchner, Karl","Efficient <i>Z</i>-Selective Semihydrogenation of Internal Alkynes Catalyzed by Cationic Iron(II) Hydride Complexes.","Journal of the American Chemical Society","2019","141","43","17452","17458","10.1021/jacs.9b09907","","","0.71073","MoKα","","0.0406","0.0289","","","0.065","0.0696","","","","","","1.034","","","","has coordinates","221026","2020-10-21","18:00:00",""
"4127856","8.8912","0.0004","10.7973","0.0005","17.3448","0.0008","85.1139","0.0009","81.5333","0.0009","85.7835","0.001","1637.84","0.13","200","2","200","2","","","","","","","","8","P -1","-P 1","2","1a in manuscript","","","- C32 H23 Au F6 N3 O4 P S2 -","- C32 H23 Au F6 N3 O4 P S2 -","- C64 H46 Au2 F12 N6 O8 P2 S4 -","2","1","","Yang, Yangyang; Eberle, Lukas; Mulks, Florian F.; Wunsch, Jonas F.; Zimmer, Marc; Rominger, Frank; Rudolph, Matthias; Hashmi, A Stephen K","Trans Influence of Ligands on the Oxidation of Gold(I) Complexes.","Journal of the American Chemical Society","2019","141","43","17414","17420","10.1021/jacs.9b09363","","","0.71073","MoKα","","0.0385","0.0288","","","0.0584","0.0619","","","","","","1.024","","","","has coordinates,has disorder","221027","2020-10-21","18:00:00",""
"4127857","11.1523","0.0005","13.0973","0.0005","14.0183","0.0006","102.786","0.0007","96.5595","0.0007","108.893","0.0007","1850.49","0.14","200","2","200","2","","","","","","","","9","P -1","-P 1","2","1e in manuscript","","","- C32.5 H42 Au Cl F6 N3 O4 P S2 -","- C32.5 H42 Au Cl F6 N3 O4 P S2 -","- C65 H84 Au2 Cl2 F12 N6 O8 P2 S4 -","2","1","","Yang, Yangyang; Eberle, Lukas; Mulks, Florian F.; Wunsch, Jonas F.; Zimmer, Marc; Rominger, Frank; Rudolph, Matthias; Hashmi, A Stephen K","Trans Influence of Ligands on the Oxidation of Gold(I) Complexes.","Journal of the American Chemical Society","2019","141","43","17414","17420","10.1021/jacs.9b09363","","","0.71073","MoKα","","0.0276","0.0233","","","0.0516","0.0531","","","","","","1.031","","","","has coordinates,has disorder","221027","2020-10-21","18:00:00",""
"4127858","9.1615","0.0007","14.317","0.0012","14.4405","0.0012","83.4496","0.0013","89.4637","0.0012","71.5878","0.0012","1784.7","0.3","200","2","200","2","","","","","","","","8","P -1","-P 1","2","1d in manuscript","","","- C32 H8 Au F21 N3 O4 P S2 -","- C32 H8 Au F21 N3 O4 P S2 -","- C64 H16 Au2 F42 N6 O8 P2 S4 -","2","1","","Yang, Yangyang; Eberle, Lukas; Mulks, Florian F.; Wunsch, Jonas F.; Zimmer, Marc; Rominger, Frank; Rudolph, Matthias; Hashmi, A Stephen K","Trans Influence of Ligands on the Oxidation of Gold(I) Complexes.","Journal of the American Chemical Society","2019","141","43","17414","17420","10.1021/jacs.9b09363","","","0.71073","MoKα","","0.0611","0.0383","","","0.07","0.0773","","","","","","1.024","","","","has coordinates,has disorder","221027","2020-10-21","18:00:00",""
"4127859","11.2674","0.0005","12.9976","0.0005","22.3812","0.0011","90","","91.927","0.002","90","","3275.9","0.3","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C73 H91 Cl O12 -","- C73 H91 Cl O12 -","- C146 H182 Cl2 O24 -","2","0.5","","Wang, Mengbin; Zhou, Jiong; Li, Errui; Zhou, Yujuan; Li, Qing; Huang, Feihe","Separation of Monochlorotoluene Isomers by Nonporous Adaptive Crystals of Perethylated Pillar[5]arene and Pillar[6]arene.","Journal of the American Chemical Society","2019","141","43","17102","17106","10.1021/jacs.9b09988","","","0.71073","MoKα","","0.0876","0.0622","","","0.1624","0.1852","","","","","","1.049","","","","has coordinates,has disorder","221028","2020-10-21","18:00:00",""
"4127860","11.6711","0.0004","21.551","0.0006","23.8501","0.0008","90","","95.321","0.001","90","","5973","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C131 H164 Cl3 O20 -","- C131 H164 Cl3 O20 -","- C262 H328 Cl6 O40 -","2","0.5","","Wang, Mengbin; Zhou, Jiong; Li, Errui; Zhou, Yujuan; Li, Qing; Huang, Feihe","Separation of Monochlorotoluene Isomers by Nonporous Adaptive Crystals of Perethylated Pillar[5]arene and Pillar[6]arene.","Journal of the American Chemical Society","2019","141","43","17102","17106","10.1021/jacs.9b09988","","","0.71073","MoKα","","0.0944","0.0672","","","0.1723","0.1885","","","","","","1.075","","","","has coordinates","221029","2020-10-21","18:00:00",""
"4127861","11.607","0.003","12.917","0.003","22.363","0.005","90","","91.31","0.008","90","","3352","1.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C73 H92 Cl O12 -","- C73 H92 Cl O12 -","- C146 H184 Cl2 O24 -","2","0.5","","Wang, Mengbin; Zhou, Jiong; Li, Errui; Zhou, Yujuan; Li, Qing; Huang, Feihe","Separation of Monochlorotoluene Isomers by Nonporous Adaptive Crystals of Perethylated Pillar[5]arene and Pillar[6]arene.","Journal of the American Chemical Society","2019","141","43","17102","17106","10.1021/jacs.9b09988","","","0.71073","MoKα","","0.1492","0.0723","","","0.1851","0.2287","","","","","","1.017","","","","has coordinates","221030","2020-10-21","18:00:00",""
"4127862","11.8197","0.0018","31.293","0.005","13.219","0.002","90","","113.124","0.002","90","","4496.5","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 Cl N2 O P Ru -","- C48 H66 Cl N2 O P Ru -","- C192 H264 Cl4 N8 O4 P4 Ru4 -","4","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.063","0.0528","","","0.1068","0.1105","","","","","","1.144","","","","has coordinates,has disorder","221031","2020-10-21","18:00:00",""
"4127863","12.1661","0.0018","31.114","0.005","13.1588","0.0019","90","","112.777","0.002","90","","4592.6","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 Cl N2 O3 P Ru -","- C48 H66 Cl N2 O3 P Ru -","- C192 H264 Cl4 N8 O12 P4 Ru4 -","4","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.0614","0.0512","","","0.1074","0.1115","","","","","","1.108","","","","has coordinates,has disorder","221031","2020-10-21","18:00:00",""
"4127864","12.713","0.0011","15.2477","0.0013","25.438","0.002","90","","90.415","0.001","90","","4930.9","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H78 Cl N2 O P Ru -","- C54 H78 Cl N2 O P Ru -","- C216 H312 Cl4 N8 O4 P4 Ru4 -","4","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.0492","0.0376","","","0.0827","0.0883","","","","","","1.013","","","","has coordinates","221031","2020-10-21","18:00:00",""
"4127865","6.0959","0.0007","16.8166","0.0018","21.65","0.002","90","","90","","90","","2219.4","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 B2 N4 -","- C28 H22 B2 N4 -","- C112 H88 B8 N16 -","4","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.0453","0.0375","","","0.083","0.0874","","","","","","1.065","","","","has coordinates","221031","2020-10-21","18:00:00",""
"4127866","8.6383","0.0007","13.5782","0.0012","26.556","0.002","90","","90","","90","","3114.8","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 B N2 O -","- C19 H17 B N2 O -","- C152 H136 B8 N16 O8 -","8","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.0448","0.0365","","","0.0929","0.0987","","","","","","1.034","","","","has coordinates","221031","2020-10-21","18:00:00",""
"4127867","7.4717","0.0008","12.2883","0.0013","19.718","0.002","90","","90","","90","","1810.4","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 B N2 -","- C24 H19 B N2 -","- C96 H76 B4 N8 -","4","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.0429","0.037","","","0.0781","0.0812","","","","","","1.051","","","","has coordinates","221031","2020-10-21","18:00:00",""
"4127868","9.1502","0.0007","14.1459","0.0011","19.8419","0.0015","93.566","0.001","99.448","0.001","107.108","0.001","2404.7","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C53 H70 B Cl N4 O P Ru -","- C53 H70 B Cl N4 O P Ru -","- C106 H140 B2 Cl2 N8 O2 P2 Ru2 -","2","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.0329","0.0281","","","0.0645","0.0669","","","","","","1.027","","","","has coordinates,has disorder","221031","2020-10-21","18:00:00",""
"4127869","21.4308","0.0005","16.6188","0.0004","15.7436","0.0004","90","","109.082","0.002","90","","5299","0.2","140","0.1","140","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H74 Cl N6 -","- C56 H74 Cl N6 -","- C224 H296 Cl4 N24 -","4","0.5","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","1.54184","CuKα","","0.0737","0.0582","","","0.1729","0.1841","","","","","","1.065","","","","has coordinates,has disorder","221032","2020-10-21","18:00:00",""
"4127870","12.2031","0.0004","16.0891","0.0005","19.0062","0.0005","105.338","0.002","96.22","0.003","107.663","0.003","3356.1","0.2","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C56 H74 I N6 -","- C56 H74 I N6 -","- C112 H148 I2 N12 -","2","1","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","0.71073","MoKα","","0.0854","0.0525","","","0.119","0.1321","","","","","","1.025","","","","has coordinates","221033","2020-10-21","18:00:00",""
"4127871","11.9866","0.0004","12.3158","0.0005","12.5454","0.0005","70.545","0.003","88.449","0.003","61.047","0.004","1507.67","0.13","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H74 F6 N7 O4 S2 -","- C58 H74 F6 N7 O4 S2 -","- C58 H74 F6 N7 O4 S2 -","1","0.5","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","1.54184","CuKα","","0.0414","0.038","","","0.1","0.1028","","","","","","1.031","","","","has coordinates,has disorder","221034","2020-10-21","18:00:00",""
"4127872","12.0287","0.0006","12.3634","0.0006","12.9443","0.0007","69.42","0.005","63.201","0.005","84.213","0.004","1604.77","0.17","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C56 H74 Br6 N6 -","- C56 H74 Br6 N6 -","- C56 H74 Br6 N6 -","1","0.5","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","1.54184","CuKα","","0.0326","0.0279","","","0.0744","0.0776","","","","","","1.066","","","","has coordinates","221035","2020-10-21","18:00:00",""
"4127873","7.56119","0.00015","11.3903","0.0002","20.3054","0.0005","90","","91.984","0.002","90","","1747.74","0.06","140","0.1","140","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 N6 -","- C40 H42 N6 -","- C80 H84 N12 -","2","0.5","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","1.54184","CuKα","","0.042","0.0355","","","0.0933","0.0987","","","","","","1.019","","","","has coordinates","221036","2020-10-21","18:00:00",""
"4127874","21.6261","0.0004","16.5623","0.0003","15.8057","0.0003","90","","109.832","0.002","90","","5325.49","0.18","140","0.1","140","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H74 Br N6 -","- C56 H74 Br N6 -","- C224 H296 Br4 N24 -","4","0.5","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","1.54184","CuKα","","0.0401","0.0358","","","0.0935","0.0972","","","","","","1.043","","","","has coordinates","221037","2020-10-21","18:00:00",""
"4127875","10.6944","0.0006","11.7002","0.0006","12.5558","0.0006","90.074","0.004","113.25","0.005","113.203","0.005","1303.65","0.15","140","0.1","140","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C56 H74 N6 -","- C56 H74 N6 -","- C56 H74 N6 -","1","0.5","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","0.71073","MoKα","","0.0823","0.0578","","","0.1384","0.1558","","","","","","1.026","","","","has coordinates","221038","2020-10-21","18:00:00",""
"4127876","12.2645","0.0007","16.6638","0.0008","17.0136","0.0006","75.75","0.004","79.343","0.004","89.726","0.004","3309","0.3","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C59.1 H79.2 Cl7.2 N6 O -","- C59.099 H79.198 Cl7.198 N6 O -","- C118.198 H158.396 Cl14.396 N12 O2 -","2","1","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","1.54184","CuKα","","0.1021","0.0797","","","0.233","0.2596","","","","","","1.027","","","","has coordinates,has disorder","221039","2020-10-21","18:00:00",""
"4127877","13.8448","0.0012","16.4625","0.0014","17.3541","0.0012","93.264","0.002","112.887","0.002","110.651","0.002","3322.3","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H54 N O4 Rh -","- C34 H54 N O4 Rh -","- C136 H216 N4 O16 Rh4 -","4","2","","Kong, Wei-Jun; Finger, Lars H.; Messinis, Antonis M.; Kuniyil, Rositha; Oliveira, João C A; Ackermann, Lutz","Flow Rhodaelectro-Catalyzed Alkyne Annulations by Versatile C-H Activation: Mechanistic Support for Rhodium(III/IV).","Journal of the American Chemical Society","2019","141","43","17198","17206","10.1021/jacs.9b07763","","","0.71073","MoKα","","0.044","0.0367","","","0.0921","0.0973","","","","","","1.038","","","","has coordinates,has disorder","221040","2020-10-21","18:00:00",""
"4127878","10.8366","0.0009","7.2939","0.0005","18.1455","0.0014","90","","103.068","0.003","90","","1397.1","0.19","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Kong, Wei-Jun; Finger, Lars H.; Messinis, Antonis M.; Kuniyil, Rositha; Oliveira, João C A; Ackermann, Lutz","Flow Rhodaelectro-Catalyzed Alkyne Annulations by Versatile C-H Activation: Mechanistic Support for Rhodium(III/IV).","Journal of the American Chemical Society","2019","141","43","17198","17206","10.1021/jacs.9b07763","","","0.71073","MoKα","","0.038","0.0361","","","0.1025","0.1044","","","","","","1.044","","","","has coordinates","221041","2020-10-21","18:00:00",""
"4127879","12.3525","0.0004","10.3586","0.0004","14.6863","0.0005","90","","90.724","0.001","90","","1879.03","0.11","100","","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N O3 Rh -","- C20 H26 N O3 Rh -","- C80 H104 N4 O12 Rh4 -","4","1","","Kong, Wei-Jun; Finger, Lars H.; Messinis, Antonis M.; Kuniyil, Rositha; Oliveira, João C A; Ackermann, Lutz","Flow Rhodaelectro-Catalyzed Alkyne Annulations by Versatile C-H Activation: Mechanistic Support for Rhodium(III/IV).","Journal of the American Chemical Society","2019","141","43","17198","17206","10.1021/jacs.9b07763","","","0.71073","MoKα","","0.0173","0.017","","","0.0437","0.0438","","","","","","1.113","","","","has coordinates,has disorder","221042","2020-10-21","18:00:00",""
"4127880","9.106","0.0007","9.2582","0.0008","10.3645","0.0009","98.353","0.003","93.614","0.004","116.367","0.002","766.51","0.11","99.98","","99.98","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Kong, Wei-Jun; Finger, Lars H.; Messinis, Antonis M.; Kuniyil, Rositha; Oliveira, João C A; Ackermann, Lutz","Flow Rhodaelectro-Catalyzed Alkyne Annulations by Versatile C-H Activation: Mechanistic Support for Rhodium(III/IV).","Journal of the American Chemical Society","2019","141","43","17198","17206","10.1021/jacs.9b07763","","","0.71073","MoKα","","0.0422","0.0394","","","0.1069","0.1084","","","","","","1.039","","","","has coordinates","221043","2020-10-21","18:00:00",""
"4127881","10.1827","0.0005","14.0724","0.0009","14.7798","0.001","62.265","0.002","71.938","0.002","84.034","0.002","1780.12","0.19","99.99","","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Cl N O Rh -","- C18 H23 Cl N O Rh -","- C72 H92 Cl4 N4 O4 Rh4 -","4","2","","Kong, Wei-Jun; Finger, Lars H.; Messinis, Antonis M.; Kuniyil, Rositha; Oliveira, João C A; Ackermann, Lutz","Flow Rhodaelectro-Catalyzed Alkyne Annulations by Versatile C-H Activation: Mechanistic Support for Rhodium(III/IV).","Journal of the American Chemical Society","2019","141","43","17198","17206","10.1021/jacs.9b07763","","","0.71073","MoKα","","0.0159","0.0156","","","0.0427","0.0429","","","","","","1.048","","","","has coordinates","221044","2020-10-21","18:00:00",""
"4127882","4.4704","0.0006","4.4704","0.0006","9.634","0.0017","90","","90","","90","","192.53","0.05","293","","293","","","","","","","","","4","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Ba F Mn0.5 Te -","- Ba F Mn0.5 Te -","- Ba2 F2 Mn Te2 -","2","0.125","","Chen, Haijie; McClain, Rebecca; He, Jiangang; Zhang, Chi; Olding, Jack N.; Dos Reis, Roberto; Bao, Jin-Ke; Hadar, Ido; Spanopoulos, Ioannis; Malliakas, Christos D.; He, Yihui; Chung, Duck Young; Kwok, Wai-Kwong; Weiss, Emily A.; Dravid, Vinayak P.; Wolverton, Christopher; Kanatzidis, Mercouri G.","Antiferromagnetic Semiconductor BaFMn<sub>0.5</sub>Te with Unique Mn Ordering and Red Photoluminescence.","Journal of the American Chemical Society","2019","141","43","17421","17430","10.1021/jacs.9b09382","","x-ray","0.71073","MoKα","","0.0484","0.0468","","","0.1366","0.1368","","","","5.87","5.87","5.61","","","","has coordinates","221045","2020-10-21","18:00:00",""
"4127883","6.3205","0.0012","6.3233","0.001","9.6379","0.0017","90","","90","","90","","385.19","0.12","293","","293","","","","","","","","","4","C m m a","-C 2a 2","67","","","","- Ba F Mn0.5 Te -","- Ba F Mn0.5 Te -","- Ba4 F4 Mn2 Te4 -","4","0.25","","Chen, Haijie; McClain, Rebecca; He, Jiangang; Zhang, Chi; Olding, Jack N.; Dos Reis, Roberto; Bao, Jin-Ke; Hadar, Ido; Spanopoulos, Ioannis; Malliakas, Christos D.; He, Yihui; Chung, Duck Young; Kwok, Wai-Kwong; Weiss, Emily A.; Dravid, Vinayak P.; Wolverton, Christopher; Kanatzidis, Mercouri G.","Antiferromagnetic Semiconductor BaFMn<sub>0.5</sub>Te with Unique Mn Ordering and Red Photoluminescence.","Journal of the American Chemical Society","2019","141","43","17421","17430","10.1021/jacs.9b09382","","x-ray","0.71073","MoKα","","0.077","0.0614","","","0.1689","0.1728","","","","5.36","5.36","4.67","","","","has coordinates","221046","2020-10-21","18:00:00",""
"4127884","9.0147","0.0003","17.1183","0.0005","8.4172","0.0003","90","","99.812","0.001","90","","1279.91","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NB11-3","","","- C14 H10 Br2 N2 -","- C14 H10 Br2 N2 -","- C56 H40 Br8 N8 -","4","1","","Maier, Martin S.; Hüll, Katharina; Reynders, Martin; Matsuura, Bryan S.; Leippe, Philipp; Ko, Tongil; Schäffer, Lukas; Trauner, Dirk","Oxidative Approach Enables Efficient Access to Cyclic Azobenzenes.","Journal of the American Chemical Society","2019","141","43","17295","17304","10.1021/jacs.9b08794","","","0.71073","MoKα","","0.0328","0.0235","","","0.046","0.0488","","","","","","1.034","","","","has coordinates","221047","2020-10-21","18:00:00",""
"4127885","10.3683","0.0001","9.1163","0.0001","19.1021","0.0002","90","","90.706","0.001","90","","1805.4","0.03","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N3 Ni O -","- C22 H17 N3 Ni O -","- C88 H68 N12 Ni4 O4 -","4","1","","Roy, Pronay; Bour, James R.; Kampf, Jeff W.; Sanford, Melanie S.","Catalytically Relevant Intermediates in the Ni-Catalyzed C(sp<sup>2</sup>)-H and C(sp<sup>3</sup>)-H Functionalization of Aminoquinoline Substrates.","Journal of the American Chemical Society","2019","141","43","17382","17387","10.1021/jacs.9b09109","","","1.54178","CuKα","","0.0313","0.0309","","","0.0874","0.0879","","","","","","1.008","","","","has coordinates","221048","2020-10-21","18:00:00",""
"4127886","8.4096","0.0003","11.3752","0.0004","11.9729","0.0004","95.466","0.003","107.282","0.003","92.626","0.003","1085.34","0.07","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 F3 N3 Ni O3 -","- C24 H17 F3 N3 Ni O3 -","- C48 H34 F6 N6 Ni2 O6 -","2","1","","Roy, Pronay; Bour, James R.; Kampf, Jeff W.; Sanford, Melanie S.","Catalytically Relevant Intermediates in the Ni-Catalyzed C(sp<sup>2</sup>)-H and C(sp<sup>3</sup>)-H Functionalization of Aminoquinoline Substrates.","Journal of the American Chemical Society","2019","141","43","17382","17387","10.1021/jacs.9b09109","","","1.54184","CuKα","","0.0404","0.0385","","","0.1058","0.1081","","","","","","1.044","","","","has coordinates","221048","2020-10-21","18:00:00",""
"4127887","9.9239","0.0003","10.4834","0.0003","17.205","0.0004","95.269","0.002","90.932","0.002","93.893","0.002","1777.81","0.09","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N3 Ni O -","- C20 H21 N3 Ni O -","- C80 H84 N12 Ni4 O4 -","4","2","","Roy, Pronay; Bour, James R.; Kampf, Jeff W.; Sanford, Melanie S.","Catalytically Relevant Intermediates in the Ni-Catalyzed C(sp<sup>2</sup>)-H and C(sp<sup>3</sup>)-H Functionalization of Aminoquinoline Substrates.","Journal of the American Chemical Society","2019","141","43","17382","17387","10.1021/jacs.9b09109","","","1.54184","CuKα","","0.0385","0.0373","","","0.1018","0.1041","","","","","","1.014","","","","has coordinates","221048","2020-10-21","18:00:00",""
"4127888","9.5689","0.0002","17.9404","0.0003","13.1615","0.0003","90","","101.756","0.002","90","","2212.04","0.08","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 F3 N3 Ni O4 S -","- C21 H21 F3 N3 Ni O4 S -","- C84 H84 F12 N12 Ni4 O16 S4 -","4","1","","Roy, Pronay; Bour, James R.; Kampf, Jeff W.; Sanford, Melanie S.","Catalytically Relevant Intermediates in the Ni-Catalyzed C(sp<sup>2</sup>)-H and C(sp<sup>3</sup>)-H Functionalization of Aminoquinoline Substrates.","Journal of the American Chemical Society","2019","141","43","17382","17387","10.1021/jacs.9b09109","","","1.54184","CuKα","","0.0435","0.0407","","","0.1111","0.1159","","","","","","1.096","","","","has coordinates","221048","2020-10-21","18:00:00",""
"4127889","32.0583","0.0008","32.0583","0.0008","11.503","0.0003","90","","90","","120","","10238.2","0.4","130","2","130","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C33.1 H51.9 N3.7 O15.7 S2 Zn4 -","- C28 H26 N2 O12 S2 Zn4 -","- C252 H234 N18 O108 S18 Zn36 -","9","0.25","","Lysova, Anna A.; Samsonenko, Denis G.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Tuning the Molecular and Cationic Affinity in a Series of Multifunctional Metal-Organic Frameworks Based on Dodecanuclear Zn(II) Carboxylate Wheels.","Journal of the American Chemical Society","2019","141","43","17260","17269","10.1021/jacs.9b08322","","x-ray","0.71073","MoKα","","0.0345","0.0267","","","0.0711","0.074","","","","","","1.061","","","","has coordinates,has disorder","221049","2020-10-21","18:00:00",""
"4127890","31.7477","0.0014","31.7477","0.0014","11.6653","0.0007","90","","90","","120","","10182.4","0.9","130","2","130","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C29.5 H43.5 N4.5 O15.5 S2 Zn4 -","- C22 H24 N2 O12 S2 Zn4 -","- C198 H216 N18 O108 S18 Zn36 -","9","0.25","","Lysova, Anna A.; Samsonenko, Denis G.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Tuning the Molecular and Cationic Affinity in a Series of Multifunctional Metal-Organic Frameworks Based on Dodecanuclear Zn(II) Carboxylate Wheels.","Journal of the American Chemical Society","2019","141","43","17260","17269","10.1021/jacs.9b08322","","x-ray","0.71073","MoKα","","0.089","0.061","","","0.1805","0.1955","","","","","","1.079","","","","has coordinates,has disorder","221050","2020-10-21","18:00:00",""
"4127891","31.8116","0.0009","31.8116","0.0009","11.6096","0.0004","90","","90","","120","","10174.6","0.5","130","2","130","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C31.4 H48.6 N3.8 O15.8 S2 Zn4 -","- C26 H26 N2 O12 S2 Zn4 -","- C234 H234 N18 O108 S18 Zn36 -","9","0.25","","Lysova, Anna A.; Samsonenko, Denis G.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Tuning the Molecular and Cationic Affinity in a Series of Multifunctional Metal-Organic Frameworks Based on Dodecanuclear Zn(II) Carboxylate Wheels.","Journal of the American Chemical Society","2019","141","43","17260","17269","10.1021/jacs.9b08322","","x-ray","0.71073","MoKα","","0.0381","0.0318","","","0.0866","0.0892","","","","","","1.055","","","","has coordinates,has disorder","221051","2020-10-21","18:00:00",""
"4127892","31.7683","0.0006","31.7683","0.0006","11.8414","0.0004","90","","90","","120","","10349.6","0.4","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C29.7 H43.3 N3.9 O14.9 S2 Zn4 -","- C24 H30 N2 O12 S2 Zn4 -","- C216 H270 N18 O108 S18 Zn36 -","9","0.25","","Lysova, Anna A.; Samsonenko, Denis G.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Tuning the Molecular and Cationic Affinity in a Series of Multifunctional Metal-Organic Frameworks Based on Dodecanuclear Zn(II) Carboxylate Wheels.","Journal of the American Chemical Society","2019","141","43","17260","17269","10.1021/jacs.9b08322","","","0.80246","synchrotron","","0.0897","0.0774","","","0.207","0.2213","","","","","","1.022","","","","has coordinates","221052","2020-10-21","18:00:00",""
"4127893","31.514","0.004","31.514","0.004","11.918","0.002","90","","90","","120","","10250","3","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C28 H30 N2 O12 S2 Zn4 -","- C28.0012 H30.0012 N2 O12 S2 Zn4 -","- C252.011 H270.011 N18 O108 S18 Zn36 -","9","0.25","","Lysova, Anna A.; Samsonenko, Denis G.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Tuning the Molecular and Cationic Affinity in a Series of Multifunctional Metal-Organic Frameworks Based on Dodecanuclear Zn(II) Carboxylate Wheels.","Journal of the American Chemical Society","2019","141","43","17260","17269","10.1021/jacs.9b08322","","","0.79272","synchrotron","","0.0754","0.073","","","0.2183","0.2204","","","","","","1.051","","","","has coordinates,has disorder","221053","2020-10-21","18:00:00",""
"4127894","32.0133","0.0005","32.0133","0.0005","11.7265","0.0003","90","","90","","120","","10407.8","0.4","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C27 H43 N3 O19 S2 Zn4 -","- C24 H21 N2 O14 S2 Zn4 -","- C216 H189 N18 O126 S18 Zn36 -","9","0.25","","Lysova, Anna A.; Samsonenko, Denis G.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Tuning the Molecular and Cationic Affinity in a Series of Multifunctional Metal-Organic Frameworks Based on Dodecanuclear Zn(II) Carboxylate Wheels.","Journal of the American Chemical Society","2019","141","43","17260","17269","10.1021/jacs.9b08322","","","0.80246","synchrotron","","0.0819","0.0604","","","0.1876","0.205","","","","","","1.12","","","","has coordinates,has disorder","221054","2020-10-21","18:00:00",""
"4127895","10.5503","0.0009","12.1072","0.001","13.3222","0.0011","65.534","0.004","75.342","0.004","83.721","0.004","1498.5","0.2","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H41 B F Fe N6 O0.5 -","- C29 H41 B F Fe N6 O0.5 -","- C58 H82 B2 F2 Fe2 N12 O -","2","1","","Valdez-Moreira, Juan A; Thorarinsdottir, Agnes E.; DeGayner, Jordan A.; Lutz, Sean A.; Chen, Chun-Hsing; Losovyj, Yaroslav; Pink, Maren; Harris, T. David; Smith, Jeremy M.","Strong π-Backbonding Enables Record Magnetic Exchange Coupling Through Cyanide.","Journal of the American Chemical Society","2019","141","43","17092","17097","10.1021/jacs.9b09445","","","0.71073","MoKα","","0.0469","0.0449","","0.1227","0.1212","0.1226","","","","","","1.0625","","","","has coordinates","221055","2020-10-21","18:00:00",""
"4127896","9.86","0.0005","17.8237","0.001","16.2023","0.0008","90","","91.967","0.003","90","","2845.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H41 B Fe N6 O -","- C28 H41 B Fe N6 O -","- C112 H164 B4 Fe4 N24 O4 -","4","1","","Valdez-Moreira, Juan A; Thorarinsdottir, Agnes E.; DeGayner, Jordan A.; Lutz, Sean A.; Chen, Chun-Hsing; Losovyj, Yaroslav; Pink, Maren; Harris, T. David; Smith, Jeremy M.","Strong π-Backbonding Enables Record Magnetic Exchange Coupling Through Cyanide.","Journal of the American Chemical Society","2019","141","43","17092","17097","10.1021/jacs.9b09445","","","0.71073","MoKα","","0.0398","0.0332","","","0.0936","0.0967","","","","","","1.151","","","","has coordinates","221055","2020-10-21","18:00:00",""
"4127897","21.4652","0.0009","17.9517","0.0008","9.739","0.0004","90","","90","","90","","3752.8","0.3","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H54 B Fe N7 O2 -","- C36 H54 B Fe N7 O2 -","- C144 H216 B4 Fe4 N28 O8 -","4","0.5","","Valdez-Moreira, Juan A; Thorarinsdottir, Agnes E.; DeGayner, Jordan A.; Lutz, Sean A.; Chen, Chun-Hsing; Losovyj, Yaroslav; Pink, Maren; Harris, T. David; Smith, Jeremy M.","Strong π-Backbonding Enables Record Magnetic Exchange Coupling Through Cyanide.","Journal of the American Chemical Society","2019","141","43","17092","17097","10.1021/jacs.9b09445","","","0.71073","MoKα","","0.0771","0.0724","","0.2152","0.2083","0.2152","","","","","","1.014","","","","has coordinates,has disorder","221055","2020-10-21","18:00:00",""
"4127898","20.9751","0.0008","16.3031","0.0007","20.4833","0.0006","90","","106.287","0.0012","90","","6723.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68.78 H103.55 B Fe Mo N10 O0.23 -","- C68.775 H103.55 B Fe Mo N10 O0.225 -","- C275.1 H414.2 B4 Fe4 Mo4 N40 O0.9 -","4","1","","Valdez-Moreira, Juan A; Thorarinsdottir, Agnes E.; DeGayner, Jordan A.; Lutz, Sean A.; Chen, Chun-Hsing; Losovyj, Yaroslav; Pink, Maren; Harris, T. David; Smith, Jeremy M.","Strong π-Backbonding Enables Record Magnetic Exchange Coupling Through Cyanide.","Journal of the American Chemical Society","2019","141","43","17092","17097","10.1021/jacs.9b09445","","","0.71073","MoKα","","0.0606","0.0411","","","0.0787","0.088","","","","","","1.048","","","","has coordinates,has disorder","221055","2020-10-21","18:00:00",""
"4127899","12.2219","0.0012","12.1044","0.0012","14.6671","0.0011","90","","98.924","0.003","90","","2143.6","0.3","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Br F3 I N O4 S -","- C18 H18 Br F3 I N O4 S -","- C72 H72 Br4 F12 I4 N4 O16 S4 -","4","1","","Isley, Nicholas A.; Endo, Yusuke; Wu, Zhi-Chen; Covington, Brett C.; Bushin, Leah B.; Seyedsayamdost, Mohammad R.; Boger, Dale L.","Total Synthesis and Stereochemical Assignment of Streptide.","Journal of the American Chemical Society","2019","141","43","17361","17369","10.1021/jacs.9b09067","","x-ray","0.71073","MoKα","","0.0412","0.0329","","","0.0754","0.0794","","","","","","1.043","","","","has coordinates","221056","2020-10-21","18:00:00",""
"4127900","14.5382","0.0005","8.2269","0.0002","14.7591","0.0004","90","","100.535","0.002","90","","1735.5","0.09","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H34 Br N5 O6 S -","- C38 H34 Br N5 O6 S -","- C76 H68 Br2 N10 O12 S2 -","2","1","","Isley, Nicholas A.; Endo, Yusuke; Wu, Zhi-Chen; Covington, Brett C.; Bushin, Leah B.; Seyedsayamdost, Mohammad R.; Boger, Dale L.","Total Synthesis and Stereochemical Assignment of Streptide.","Journal of the American Chemical Society","2019","141","43","17361","17369","10.1021/jacs.9b09067","","x-ray","1.54178","CuKα","","0.0364","0.0349","","","0.089","0.09","","","","","","1.071","","","","has coordinates","221058","2020-10-21","18:00:00",""
"4127901","7.6634","0.0002","16.5163","0.0003","27.5414","0.0005","90","","90","","90","","3485.94","0.13","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H34 Br N5 O6 S -","- C38 H34 Br N5 O6 S -","- C152 H136 Br4 N20 O24 S4 -","4","1","","Isley, Nicholas A.; Endo, Yusuke; Wu, Zhi-Chen; Covington, Brett C.; Bushin, Leah B.; Seyedsayamdost, Mohammad R.; Boger, Dale L.","Total Synthesis and Stereochemical Assignment of Streptide.","Journal of the American Chemical Society","2019","141","43","17361","17369","10.1021/jacs.9b09067","","x-ray","1.54178","CuKα","","0.0378","0.0363","","","0.0902","0.0911","","","","","","1.035","","","","has coordinates","221059","2020-10-21","18:00:00",""
"4127902","7.9247","0.0004","10.0883","0.0005","13.7799","0.0007","90","","99.202","0.001","90","","1087.48","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H26 O3 -","- C28 H26 O3 -","- C56 H52 O6 -","2","1","","Lu, Shenci; Ong, Jun-Yang; Yang, Hui; Poh, Si Bei; Liew, Xi; Seow, Chwee San Deborah; Wong, Ming Wah; Zhao, Yu","Diastereo- and Atroposelective Synthesis of Bridged Biaryls Bearing an Eight-Membered Lactone through an Organocatalytic Cascade.","Journal of the American Chemical Society","2019","141","43","17062","17067","10.1021/jacs.9b08510","","","1.54178","CuKα","","0.0245","0.0244","","","0.0668","0.0669","","","","","","1.02","","","","has coordinates","221060","2020-10-21","18:00:00",""
"4127903","11.9855","0.0013","7.8837","0.0009","16.321","0.0018","90","","90.079","0.002","90","","1542.2","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","2","","Lu, Shenci; Ong, Jun-Yang; Yang, Hui; Poh, Si Bei; Liew, Xi; Seow, Chwee San Deborah; Wong, Ming Wah; Zhao, Yu","Diastereo- and Atroposelective Synthesis of Bridged Biaryls Bearing an Eight-Membered Lactone through an Organocatalytic Cascade.","Journal of the American Chemical Society","2019","141","43","17062","17067","10.1021/jacs.9b08510","","","1.54178","CuKα","","0.033","0.0327","","","0.0828","0.087","","","","","","1.072","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4127904","8.1622","0.0004","7.4452","0.0003","18.6526","0.0008","90","","93.348","0.001","90","","1131.57","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H25 N O4 S -","- C27 H25 N O4 S -","- C54 H50 N2 O8 S2 -","2","1","","Lu, Shenci; Ong, Jun-Yang; Yang, Hui; Poh, Si Bei; Liew, Xi; Seow, Chwee San Deborah; Wong, Ming Wah; Zhao, Yu","Diastereo- and Atroposelective Synthesis of Bridged Biaryls Bearing an Eight-Membered Lactone through an Organocatalytic Cascade.","Journal of the American Chemical Society","2019","141","43","17062","17067","10.1021/jacs.9b08510","","","1.54178","CuKα","","0.0259","0.0254","","","0.0637","0.0641","","","","","","1.061","","","","has coordinates","221062","2020-10-21","18:00:00",""
"4127905","14.5301","0.0005","17.9356","0.0006","17.9411","0.0007","90","","106.686","0.001","90","","4478.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","17237CE","","","- C46 H61 Cl Cu N4 O4 -","- C46 H61 Cl Cu N4 O4 -","- C184 H244 Cl4 Cu4 N16 O16 -","4","1","","Mandal, Mukunda; Elwell, Courtney E.; Bouchey, Caitlin J.; Zerk, Timothy J.; Tolman, William B.; Cramer, Christopher J.","Mechanisms for Hydrogen-Atom Abstraction by Mononuclear Copper(III) Cores: Hydrogen-Atom Transfer or Concerted Proton-Coupled Electron Transfer?","Journal of the American Chemical Society","2019","141","43","17236","17244","10.1021/jacs.9b08109","","","0.71073","MoKα","","0.1695","0.0714","","","0.1733","0.2494","","","","","","1.059","","","","has coordinates,has disorder","221063","2020-10-21","18:00:00",""
"4127906","10.0143","0.0003","10.1957","0.0003","11.7671","0.0003","107.939","0.001","92.935","0.001","116.211","0.001","1000.53","0.05","303","2","303.06","","","","","","","","","6","P 1","P 1","1","","","","- C22 H17 Br F3 N O -","- C22 H17 Br F3 N O -","- C44 H34 Br2 F6 N2 O2 -","2","2","","Wu, Lianqian; Wang, Fei; Chen, Pinhong; Liu, Guosheng","Enantioselective Construction of Quaternary All-Carbon Centers via Copper-Catalyzed Arylation of Tertiary Carbon-Centered Radicals.","Journal of the American Chemical Society","2019","141","5","1887","1892","10.1021/jacs.8b13052","","","1.34139","GaKα","","0.0613","0.0505","","","0.1315","0.1421","","","","","","1.036","","","","has coordinates","221064","2020-10-21","18:00:00",""
"4127907","10.2427","0.0001","17.1382","0.0002","17.4927","0.0002","90","","90","","90","","3070.69","0.06","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 F4 N O -","- C17 H15 F4 N O -","- C136 H120 F32 N8 O8 -","8","2","","Wu, Lianqian; Wang, Fei; Chen, Pinhong; Liu, Guosheng","Enantioselective Construction of Quaternary All-Carbon Centers via Copper-Catalyzed Arylation of Tertiary Carbon-Centered Radicals.","Journal of the American Chemical Society","2019","141","5","1887","1892","10.1021/jacs.8b13052","","","1.34139","GaKα","","0.0495","0.0403","","","0.0873","0.0931","","","","","","1.076","","","","has coordinates","221065","2020-10-21","18:00:00",""
"4127908","8.5142","0.0012","8.8368","0.0013","14.135","0.002","78.7715","0.001","84.154","0.011","77.5726","0.001","1016.7","0.3","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Cl4 Fe O2 -","- C18 H22 Cl4 Fe O2 -","- C36 H44 Cl8 Fe2 O4 -","2","1","","Horibe, Takahiro; Ohmura, Shuhei; Ishihara, Kazuaki","Structure and Reactivity of Aromatic Radical Cations Generated by FeCl<sub>3</sub>.","Journal of the American Chemical Society","2019","141","5","1877","1881","10.1021/jacs.8b12827","","","0.71075","MoKα","","0.0239","0.0213","","","0.0573","0.0583","","","","","","1.042","","","","has coordinates","221066","2020-10-21","18:00:00",""
"4127909","12.3265","0.001","5.7733","0.0006","26.867","0.002","90","","90.455","0.007","90","","1911.9","0.3","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Cl O2 -","- C24 H21 Cl O2 -","- C96 H84 Cl4 O8 -","4","1","","Horibe, Takahiro; Ohmura, Shuhei; Ishihara, Kazuaki","Structure and Reactivity of Aromatic Radical Cations Generated by FeCl<sub>3</sub>.","Journal of the American Chemical Society","2019","141","5","1877","1881","10.1021/jacs.8b12827","","x-ray","0.71073","MoKα","","0.1965","0.0716","","","0.1283","0.1666","","","","","","0.981","","","","has coordinates","221067","2020-10-21","18:00:00",""
"4127910","7.044","0.004","9.866","0.006","16.064","0.009","97.263","0.009","94.629","0.009","108.783","0.006","1039.7","1","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 O5 Si2 -","- C18 H22 O5 Si2 -","- C36 H44 O10 Si4 -","2","1","","Goncharova, Irina K.; Silaeva, Kseniia P.; Arzumanyan, Ashot V.; Anisimov, Anton A.; Milenin, Sergey A.; Novikov, Roman A.; Solyev, Pavel N.; Tkachev, Yaroslav V.; Volodin, Alexander D.; Korlyukov, Alexander A.; Muzafarov, Aziz M.","Aerobic Co-/ N-Hydroxysuccinimide-Catalyzed Oxidation of p-Tolylsiloxanes to p-Carboxyphenylsiloxanes: Synthesis of Functionalized Siloxanes as Promising Building Blocks for Siloxane-Based Materials.","Journal of the American Chemical Society","2019","141","5","2143","2151","10.1021/jacs.8b12600","","","0.71073","MoKα","","0.1189","0.0784","","","0.2122","0.2288","","","","","","0.987","","","","has coordinates","221068","2020-10-21","18:00:00",""
"4127911","8.451","0.003","8.701","0.003","13.195","0.005","98.271","0.007","90.712","0.007","90.314","0.008","960.1","0.6","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 O5 Si2 -","- C18 H22 O5 Si2 -","- C36 H44 O10 Si4 -","2","1","","Goncharova, Irina K.; Silaeva, Kseniia P.; Arzumanyan, Ashot V.; Anisimov, Anton A.; Milenin, Sergey A.; Novikov, Roman A.; Solyev, Pavel N.; Tkachev, Yaroslav V.; Volodin, Alexander D.; Korlyukov, Alexander A.; Muzafarov, Aziz M.","Aerobic Co-/ N-Hydroxysuccinimide-Catalyzed Oxidation of p-Tolylsiloxanes to p-Carboxyphenylsiloxanes: Synthesis of Functionalized Siloxanes as Promising Building Blocks for Siloxane-Based Materials.","Journal of the American Chemical Society","2019","141","5","2143","2151","10.1021/jacs.8b12600","","x-ray","0.71073","MoKα","","0.1225","0.0951","","","0.2036","0.2128","","","","","","0.93","","","","has coordinates","221069","2020-10-21","18:00:00",""
"4127912","27.4926","0.0009","9.318","0.0003","15.4357","0.0005","90","","103.206","0.001","90","","3849.7","0.2","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 O5 Si2 -","- C18 H22 O5 Si2 -","- C144 H176 O40 Si16 -","8","1","","Goncharova, Irina K.; Silaeva, Kseniia P.; Arzumanyan, Ashot V.; Anisimov, Anton A.; Milenin, Sergey A.; Novikov, Roman A.; Solyev, Pavel N.; Tkachev, Yaroslav V.; Volodin, Alexander D.; Korlyukov, Alexander A.; Muzafarov, Aziz M.","Aerobic Co-/ N-Hydroxysuccinimide-Catalyzed Oxidation of p-Tolylsiloxanes to p-Carboxyphenylsiloxanes: Synthesis of Functionalized Siloxanes as Promising Building Blocks for Siloxane-Based Materials.","Journal of the American Chemical Society","2019","141","5","2143","2151","10.1021/jacs.8b12600","","","0.71073","MoKα","","0.0466","0.0377","","","0.1016","0.1119","","","","","","1.055","","","","has coordinates","221070","2020-10-21","18:00:00",""
"4127913","7.2406","0.0016","12.798","0.003","17.089","0.004","81.306","0.006","81.036","0.006","85.912","0.005","1544.4","0.6","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 O3 Si2 -","- C12 H20 O3 Si2 -","- C48 H80 O12 Si8 -","4","2","","Goncharova, Irina K.; Silaeva, Kseniia P.; Arzumanyan, Ashot V.; Anisimov, Anton A.; Milenin, Sergey A.; Novikov, Roman A.; Solyev, Pavel N.; Tkachev, Yaroslav V.; Volodin, Alexander D.; Korlyukov, Alexander A.; Muzafarov, Aziz M.","Aerobic Co-/ N-Hydroxysuccinimide-Catalyzed Oxidation of p-Tolylsiloxanes to p-Carboxyphenylsiloxanes: Synthesis of Functionalized Siloxanes as Promising Building Blocks for Siloxane-Based Materials.","Journal of the American Chemical Society","2019","141","5","2143","2151","10.1021/jacs.8b12600","","x-ray","0.71073","MoKα","","0.1224","0.0717","","","0.1707","0.2003","","","","","","1.002","","","","has coordinates","221071","2020-10-21","18:00:00",""
"4127914","10.3251","0.0007","11.224","0.0008","11.3432","0.0008","96.522","0.001","111.319","0.001","115.39","0.001","1048.07","0.13","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 O5 Si2 -","- C20 H26 O5 Si2 -","- C40 H52 O10 Si4 -","2","1","","Goncharova, Irina K.; Silaeva, Kseniia P.; Arzumanyan, Ashot V.; Anisimov, Anton A.; Milenin, Sergey A.; Novikov, Roman A.; Solyev, Pavel N.; Tkachev, Yaroslav V.; Volodin, Alexander D.; Korlyukov, Alexander A.; Muzafarov, Aziz M.","Aerobic Co-/ N-Hydroxysuccinimide-Catalyzed Oxidation of p-Tolylsiloxanes to p-Carboxyphenylsiloxanes: Synthesis of Functionalized Siloxanes as Promising Building Blocks for Siloxane-Based Materials.","Journal of the American Chemical Society","2019","141","5","2143","2151","10.1021/jacs.8b12600","","","0.71073","MoKα","","0.0432","0.0347","","","0.0921","0.0987","","","","","","1.02","","","","has coordinates","221072","2020-10-21","18:00:00",""
"4127915","34.86","0.04","11.175","0.011","23.4","0.02","90","","110.5","0.04","90","","8538","15","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H74 Fe N2 O P4 -","- C44 H48 Fe N2 P4 -","- C352 H384 Fe8 N16 P32 -","8","1","","Prokopchuk, Demyan E.; Chambers, Geoffrey M.; Walter, Eric D.; Mock, Michael T.; Bullock, R. Morris","H<sub>2</sub> Binding, Splitting, and Net Hydrogen Atom Transfer at a Paramagnetic Iron Complex.","Journal of the American Chemical Society","2019","141","5","1871","1876","10.1021/jacs.8b12823","","","0.71073","MoKα","","0.0362","0.0286","","","0.0707","0.074","","","","","","1.022","","","","has coordinates","221073","2020-10-21","18:00:00",""
"4127916","9.57","0.002","11.955","0.002","17.699","0.003","104.34","0.02","93.68","0.02","108.63","0.03","1836.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H61 Ge N2 Si -","- C38 H61 Ge N2 Si -","- C76 H122 Ge2 N4 Si2 -","2","1","","Siddiqui, Mujahuddin M.; Sarkar, Samir Kumar; Sinhababu, Soumen; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar; Ghosh, Munmun; Fu, Mingxing; Zhao, Lili; Casanova, David; Frenking, Gernot; Schwederski, Brigitte; Kaim, Wolfgang; Roesky, Herbert W.","Isolation of Transient Acyclic Germanium(I) Radicals Stabilized by Cyclic Alkyl(amino) Carbenes.","Journal of the American Chemical Society","2019","141","5","1908","1912","10.1021/jacs.8b13434","","","0.56086","AgKα","","0.0538","0.0436","","","0.1124","0.1192","","","","","","1.076","","","","has coordinates","221074","2020-10-21","18:00:00",""
"4127917","13.375","0.002","13.416","0.002","14.015","0.003","112.83","0.02","100.59","0.02","108.21","0.03","2063.8","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H57 Ge N2 Si -","- C47 H57 Ge N2 Si -","- C94 H114 Ge2 N4 Si2 -","2","1","","Siddiqui, Mujahuddin M.; Sarkar, Samir Kumar; Sinhababu, Soumen; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar; Ghosh, Munmun; Fu, Mingxing; Zhao, Lili; Casanova, David; Frenking, Gernot; Schwederski, Brigitte; Kaim, Wolfgang; Roesky, Herbert W.","Isolation of Transient Acyclic Germanium(I) Radicals Stabilized by Cyclic Alkyl(amino) Carbenes.","Journal of the American Chemical Society","2019","141","5","1908","1912","10.1021/jacs.8b13434","","","0.56086","AgKα","","0.0693","0.0459","","","0.1073","0.1251","","","","","","1.118","","","","has coordinates","221075","2020-10-21","18:00:00",""
"4127918","13.5988","0.0008","47.708","0.003","50.646","0.003","90","","90","","90","","32858","3","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C96 H415 K23 O300 P20 Pd31 -","- C96 H112 K17.8333 O221.508 P20 Pd31 -","- C384 H448 K71.3332 O886.031 P80 Pd124 -","4","1","","Yang, Peng; Zhao, Wenli; Shkurenko, Aleksander; Belmabkhout, Youssef; Eddaoudi, Mohamed; Dong, Xiaochen; Alshareef, Husam N.; Khashab, Niveen M.","Polyoxometalate-Cyclodextrin Metal-Organic Frameworks: From Tunable Structure to Customized Storage Functionality.","Journal of the American Chemical Society","2019","141","5","1847","1851","10.1021/jacs.8b11998","","","1.54178","CuKα","","0.082","0.0772","","","0.216","0.2218","","","","","","1.031","","","","has coordinates,has disorder","221076","2020-10-21","18:00:00",""
"4127919","16.7418","0.0008","15.6598","0.0008","18.4127","0.0009","90","","90.376","0.002","90","","4827.2","0.4","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H102 K2.5 Na2.5 O92 P W12 -","- C38 H45 K2.5 Na2.5 O83 P W12 -","- C76 H90 K5 Na5 O166 P2 W24 -","2","1","","Yang, Peng; Zhao, Wenli; Shkurenko, Aleksander; Belmabkhout, Youssef; Eddaoudi, Mohamed; Dong, Xiaochen; Alshareef, Husam N.; Khashab, Niveen M.","Polyoxometalate-Cyclodextrin Metal-Organic Frameworks: From Tunable Structure to Customized Storage Functionality.","Journal of the American Chemical Society","2019","141","5","1847","1851","10.1021/jacs.8b11998","","","1.54178","CuKα","","0.0666","0.0633","","","0.2012","0.2052","","","","","","1.068","","","","has coordinates,has disorder","221077","2020-10-21","18:00:00",""
"4127920","11.4648","0.0011","7.4731","0.0007","11.5835","0.0011","90","","94.863","0.004","90","","988.87","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H14 Br F3 N2 O6 -","- C19 H14 Br F3 N2 O6 -","- C38 H28 Br2 F6 N4 O12 -","2","1","","Schwartz, Leyah A.; Holmes, Michael; Brito, Gilmar A.; Gonçalves, Théo P; Richardson, Jeffery; Ruble, J. Craig; Huang, Kuo-Wei; Krische, Michael J.","Cyclometalated Iridium-PhanePhos Complexes Are Active Catalysts in Enantioselective Allene-Fluoral Reductive Coupling and Related Alcohol-Mediated Carbonyl Additions That Form Acyclic Quaternary Carbon Stereocenters.","Journal of the American Chemical Society","2019","141","5","2087","2096","10.1021/jacs.8b11868","","","0.71073","MoKα","","0.0324","0.0261","","","0.0524","0.0537","","","","","","0.998","","","","has coordinates","221078","2020-10-21","18:00:00",""
"4127921","11.5455","0.0012","18.2487","0.0017","22.786","0.002","107.665","0.006","96.056","0.007","96.264","0.007","4498.2","0.8","170","2","170.01","","","","","","","","","4","P -1","-P 1","2","","","","- C67 H34 Cl10 O6 -","- C67 H34 Cl10 O6 -","- C134 H68 Cl20 O12 -","2","1","","Wang, Yanpei; Qiu, Shuhai; Xie, Sheng; Zhou, Long; Hong, Youhua; Chang, Jingjing; Wu, Jishan; Zeng, Zebing","Synthesis and Characterization of Oxygen-Embedded Quinoidal Pentacene and Nonacene.","Journal of the American Chemical Society","2019","141","5","2169","2176","10.1021/jacs.8b13884","","","1.34139","GaKα","","0.2021","0.128","","","0.3","0.3547","","","","","","0.834","","","","has coordinates","221079","2020-10-21","18:00:00",""
"4127922","11.333","0.002","7.4415","0.0015","25.055","0.006","90","","92.183","0.007","90","","2111.5","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H28 Cl8 O4 -","- C48 H28 Cl8 O4 -","- C96 H56 Cl16 O8 -","2","0.5","","Wang, Yanpei; Qiu, Shuhai; Xie, Sheng; Zhou, Long; Hong, Youhua; Chang, Jingjing; Wu, Jishan; Zeng, Zebing","Synthesis and Characterization of Oxygen-Embedded Quinoidal Pentacene and Nonacene.","Journal of the American Chemical Society","2019","141","5","2169","2176","10.1021/jacs.8b13884","","","0.71073","MoKα","","0.1133","0.0794","","","0.2006","0.226","","","","","","1.09","","","","has coordinates","221080","2020-10-21","18:00:00",""
"4127923","24.297","0.0013","7.8094","0.0004","23.9522","0.0012","90","","98.529","0.002","90","","4494.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H32 Cl8 O5 -","- C50 H32 Cl8 O5 -","- C200 H128 Cl32 O20 -","4","1","","Wang, Yanpei; Qiu, Shuhai; Xie, Sheng; Zhou, Long; Hong, Youhua; Chang, Jingjing; Wu, Jishan; Zeng, Zebing","Synthesis and Characterization of Oxygen-Embedded Quinoidal Pentacene and Nonacene.","Journal of the American Chemical Society","2019","141","5","2169","2176","10.1021/jacs.8b13884","","","1.54178","CuKα","","0.0532","0.0464","","","0.1138","0.1181","","","","","","1.064","","","","has coordinates,has disorder","221081","2020-10-21","18:00:00",""
"4127924","10.195","0.004","13.289","0.007","16.613","0.008","73.338","0.015","86.579","0.014","84.425","0.014","2144.9","1.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H24 Cl6 O4 -","- C41 H24 Cl6 O4 -","- C82 H48 Cl12 O8 -","2","1","","Wang, Yanpei; Qiu, Shuhai; Xie, Sheng; Zhou, Long; Hong, Youhua; Chang, Jingjing; Wu, Jishan; Zeng, Zebing","Synthesis and Characterization of Oxygen-Embedded Quinoidal Pentacene and Nonacene.","Journal of the American Chemical Society","2019","141","5","2169","2176","10.1021/jacs.8b13884","","","0.71073","MoKα","","0.1317","0.0835","","","0.2171","0.2528","","","","","","1.026","","","","has coordinates","221082","2020-10-21","18:00:00",""
"4127925","9.175","0.0003","10.716","0.0003","11.0839","0.0004","90","","101.47","0.001","90","","1068","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","lm1XV374 - 18MCD012","","","- C24 H26 F3 N O2 S -","- C24 H26 F3 N O2 S -","- C48 H52 F6 N2 O4 S2 -","2","1","","Vidal, Xandro; Mascareñas, José L; Gulías, Moisés","Palladium-Catalyzed, Enantioselective Formal Cycloaddition between Benzyltriflamides and Allenes: Straightforward Access to Enantioenriched Isoquinolines.","Journal of the American Chemical Society","2019","141","5","1862","1866","10.1021/jacs.8b12636","","","0.71073","MoKα","","0.0327","0.0305","","","0.0776","0.079","","","","","","1.048","","","","has coordinates","221083","2020-10-21","18:00:00",""
"4127926","9.9817","0.001","8.5549","0.0009","10.6135","0.001","90","","100.483","0.004","90","","891.19","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","18MCD016","","","- C18 H22 F3 N O2 S -","- C18 H22 F3 N O2 S -","- C36 H44 F6 N2 O4 S2 -","2","1","","Vidal, Xandro; Mascareñas, José L; Gulías, Moisés","Palladium-Catalyzed, Enantioselective Formal Cycloaddition between Benzyltriflamides and Allenes: Straightforward Access to Enantioenriched Isoquinolines.","Journal of the American Chemical Society","2019","141","5","1862","1866","10.1021/jacs.8b12636","","","0.71073","MoKα","","0.0516","0.0395","","","0.085","0.0906","","","","","","1.056","","","","has coordinates","221084","2020-10-21","18:00:00",""
"4127927","7.55733","0.00014","20.5126","0.0007","26.9565","0.0009","71.418","0.003","83.519","0.002","82.56","0.002","3916.2","0.2","213","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C86 H81 N11 O17 -","- C86 H81 N11 O17 -","- C172 H162 N22 O34 -","2","1","","Hisaki, Ichiro; Suzuki, Yuto; Gomez, Eduardo; Ji, Qin; Tohnai, Norimitsu; Nakamura, Takayoshi; Douhal, Abderrazzak","Acid Responsive Hydrogen-Bonded Organic Frameworks.","Journal of the American Chemical Society","2019","141","5","2111","2121","10.1021/jacs.8b12124","","","1.54187","CuKα","","0.0578","0.0465","","","0.1248","0.1323","","","","","","1.047","","","","has coordinates","221085","2020-10-21","18:00:00",""
"4127928","23.5339","0.00013","25.9485","0.00012","27.4962","0.00015","108.671","0.0004","100.83","0.0005","108.27","0.0005","14309.1","0.16","223","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H73 Cl N10 O16 -","- C88 H73 Cl N10 O16 -","- C528 H438 Cl6 N60 O96 -","6","3","","Hisaki, Ichiro; Suzuki, Yuto; Gomez, Eduardo; Ji, Qin; Tohnai, Norimitsu; Nakamura, Takayoshi; Douhal, Abderrazzak","Acid Responsive Hydrogen-Bonded Organic Frameworks.","Journal of the American Chemical Society","2019","141","5","2111","2121","10.1021/jacs.8b12124","","","1.54184","CuKα","","0.086","0.0788","","","0.2515","0.2597","","","","","","1.082","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4127929","7.27754","0.00017","20.8039","0.0004","21.7135","0.0004","76.5118","0.0017","89.6714","0.0017","86.3993","0.0018","3190.33","0.12","213","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H36 N6 O12 -","- C66 H36 N6 O12 -","- C132 H72 N12 O24 -","2","1","","Hisaki, Ichiro; Suzuki, Yuto; Gomez, Eduardo; Ji, Qin; Tohnai, Norimitsu; Nakamura, Takayoshi; Douhal, Abderrazzak","Acid Responsive Hydrogen-Bonded Organic Frameworks.","Journal of the American Chemical Society","2019","141","5","2111","2121","10.1021/jacs.8b12124","","","1.54187","CuKα","","0.0935","0.0808","","","0.249","0.2648","","","","","","1.05","","","","has coordinates","221087","2020-10-21","18:00:00",""
"4127930","7.3893","0.0004","19.398","0.0011","21.3787","0.001","80.108","0.004","88.822","0.004","82.022","0.005","2989.6","0.3","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H36 N6 O12 -","- C66 H36 N6 O12 -","- C132 H72 N12 O24 -","2","1","","Hisaki, Ichiro; Suzuki, Yuto; Gomez, Eduardo; Ji, Qin; Tohnai, Norimitsu; Nakamura, Takayoshi; Douhal, Abderrazzak","Acid Responsive Hydrogen-Bonded Organic Frameworks.","Journal of the American Chemical Society","2019","141","5","2111","2121","10.1021/jacs.8b12124","","","1.54184","CuKα","","0.1888","0.1163","","","0.3031","0.3618","","","","","","1.018","","","","has coordinates","221088","2020-10-21","18:00:00",""
"4127931","10.7896","0.0012","14.973","0.002","15.5499","0.0018","94.628","0.005","97.727","0.006","92.077","0.005","2478.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H58 N4 O11 P6 -","- C48 H58 N4 O11 P6 -","- C96 H116 N8 O22 P12 -","2","1","","Shepard, Scott M.; Cummins, Christopher C.","Functionalization of Intact Trimetaphosphate: A Triphosphorylating Reagent for C, N, and O Nucleophiles.","Journal of the American Chemical Society","2019","141","5","1852","1856","10.1021/jacs.8b12204","","","0.71073","MoKα","","0.055","0.0394","","","0.093","0.1019","","","","","","1.042","","","","has coordinates,has disorder","221089","2020-10-21","18:00:00",""
"4127932","8.851","0.0006","33.631","0.002","14.7539","0.0007","90","","93.551","0.002","90","","4383.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(PPN)(H2NEt2)(P3O8NEt2)","","","- C44 H52 N3 O8 P5 -","- C44 H52 N3 O8 P5 -","- C176 H208 N12 O32 P20 -","4","1","","Shepard, Scott M.; Cummins, Christopher C.","Functionalization of Intact Trimetaphosphate: A Triphosphorylating Reagent for C, N, and O Nucleophiles.","Journal of the American Chemical Society","2019","141","5","1852","1856","10.1021/jacs.8b12204","","","0.71073","MoKα","","0.0394","0.0346","","","0.0853","0.0886","","","","","","1.061","","","","has coordinates","221090","2020-10-21","18:00:00",""
"4127933","32.577","0.002","9.197","0.0006","14.4155","0.0009","90","","90","","90","","4319","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H49 N2 O9 P5 -","- C43 H49 N2 O9 P5 -","- C172 H196 N8 O36 P20 -","4","1","","Shepard, Scott M.; Cummins, Christopher C.","Functionalization of Intact Trimetaphosphate: A Triphosphorylating Reagent for C, N, and O Nucleophiles.","Journal of the American Chemical Society","2019","141","5","1852","1856","10.1021/jacs.8b12204","","","0.71073","MoKα","","0.0373","0.0334","","","0.0775","0.0794","","","","","","1.037","","","","has coordinates,has disorder","221091","2020-10-21","18:00:00",""
"4127934","13.4493","0.0005","19.5239","0.0009","25.1485","0.0009","90","","90","","90","","6603.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","iso-P4O12(PPN)2*H2O","","","- C72 H62 N2 O12.59 P8 -","- C72 H62 N2 O12.59 P8 -","- C288 H248 N8 O50.36 P32 -","4","1","","Shepard, Scott M.; Cummins, Christopher C.","Functionalization of Intact Trimetaphosphate: A Triphosphorylating Reagent for C, N, and O Nucleophiles.","Journal of the American Chemical Society","2019","141","5","1852","1856","10.1021/jacs.8b12204","","","1.54178","CuKα","","0.0758","0.0562","","","0.138","0.1571","","","","","","1.091","","","","has coordinates","221092","2020-10-21","18:00:00",""
"4127935","15.475","0.003","17.268","0.003","19.388","0.004","63.67","0.03","70.32","0.03","86.65","0.03","4347","2","80","2","80","2","","","","","","","","8","P -1","-P 1","2","","","","- C150 H111 B4 F40 N15 O Pd2 S8 -","- C150 H111 B4 F40 N15 O Pd2 S8 -","- C150 H111 B4 F40 N15 O Pd2 S8 -","1","0.5","","Li, Ru-Jin; Holstein, Julian J.; Hiller, Wolf G.; Andréasson, Joakim; Clever, Guido H.","Mechanistic Interplay between Light Switching and Guest Binding in Photochromic [Pd<sub>2</sub>Dithienylethene<sub>4</sub>] Coordination Cages.","Journal of the American Chemical Society","2019","141","5","2097","2103","10.1021/jacs.8b11872","","","0.5636","synchrotron","","0.1622","0.1172","","","0.3222","0.358","","","","","","1.272","","","","has coordinates,has disorder","221093","2020-10-21","18:00:00",""
"4127936","16.2723","0.0007","18.2308","0.0007","19.8269","0.0008","106.559","0.002","90.944","0.002","108.396","0.002","5313","0.4","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C160 H122 B2 F32 N12 O8 Pd2 S10 -","- C160 H122 B2 F32 N12 O8 Pd2 S10 -","- C160 H122 B2 F32 N12 O8 Pd2 S10 -","1","1","","Li, Ru-Jin; Holstein, Julian J.; Hiller, Wolf G.; Andréasson, Joakim; Clever, Guido H.","Mechanistic Interplay between Light Switching and Guest Binding in Photochromic [Pd<sub>2</sub>Dithienylethene<sub>4</sub>] Coordination Cages.","Journal of the American Chemical Society","2019","141","5","2097","2103","10.1021/jacs.8b11872","","","1.54178","CuKα","","0.0728","0.0563","","","0.1612","0.1749","","","","","","1.042","","","","has coordinates,has disorder","221094","2020-10-21","18:00:00",""
"4127937","13.28","0.003","20.622","0.004","5.7279","0.0011","90","","95.38","0.03","90","","1561.7","0.6","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Xu, Jiancong; Chen, Jingjing; Gao, Feng; Xie, Shuguang; Xu, Xiaohua; Jin, Zhong; Yu, Jin-Quan","Sequential Functionalization of meta-C-H and ipso-C-O Bonds of Phenols.","Journal of the American Chemical Society","2019","141","5","1903","1907","10.1021/jacs.8b13403","","","0.71073","MoKα","","0.0652","0.0484","","","0.1175","0.1283","","","","","","1.038","","","","has coordinates","221095","2020-10-21","18:00:00",""
"4127938","16.296","0.003","12.49","0.003","7.3775","0.0015","90","","96.78","0.03","90","","1491.1","0.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 F O3 -","- C18 H17 F O3 -","- C72 H68 F4 O12 -","4","1","","Xu, Jiancong; Chen, Jingjing; Gao, Feng; Xie, Shuguang; Xu, Xiaohua; Jin, Zhong; Yu, Jin-Quan","Sequential Functionalization of meta-C-H and ipso-C-O Bonds of Phenols.","Journal of the American Chemical Society","2019","141","5","1903","1907","10.1021/jacs.8b13403","","","0.71073","MoKα","","0.0835","0.0589","","","0.1365","0.1491","","","","","","1.095","","","","has coordinates","221096","2020-10-21","18:00:00",""
"4127939","7.6438","0.0006","7.7858","0.0006","19.8762","0.0016","95.895","0.003","91.044","0.003","117.92","0.003","1036.72","0.14","123","","123","","","","","","","","Kevin Weiland","4","P -1","-P 1","2","","","","- C48 H52 O4 S4 -","- C48 H52 O4 S4 -","- C48 H52 O4 S4 -","1","0.5","","Weiland, Kevin J.; Brandl, Thomas; Atz, Kenneth; Prescimone, Alessandro; Häussinger, Daniel; Šolomek, Tomáš; Mayor, Marcel","Mechanical Stabilization of Helical Chirality in a Macrocyclic Oligothiophene.","Journal of the American Chemical Society","2019","141","5","2104","2110","10.1021/jacs.8b11797","","","1.54178","CuKα","","0.0775","0.0751","","0.0587","0.0587","0.0586","","","","","","1.0297","","","","has coordinates","221097","2020-10-21","18:00:00",""
"4127940","44.908","0.002","17.6979","0.0008","27.658","0.0012","90","","113.317","0.002","90","","20186.7","1.6","100","2","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H80 F24 N6 O12 P4 -","- C84 H80 F24 N6 O12 P4 -","- C672 H640 F192 N48 O96 P32 -","8","1","","Jiao, Tianyu; Cai, Kang; Nelson, Jordan N.; Jiao, Yang; Qiu, Yunyan; Wu, Guangcheng; Zhou, Jiawang; Cheng, Chuyang; Shen, Dengke; Feng, Yuanning; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser; Li, Hao","Stabilizing the Naphthalenediimide Radical within a Tetracationic Cyclophane.","Journal of the American Chemical Society","2019","141","42","16915","16922","10.1021/jacs.9b08926","","","1.54178","CuKα","","0.0962","0.081","","","0.2379","0.2575","","","","","","1.047","","","","has coordinates,has disorder","221098","2020-10-21","18:00:00",""
"4127941","10.9442","0.0007","16.0723","0.0012","19.1059","0.0013","94.246","0.004","90.646","0.004","92.596","0.004","3347.7","0.4","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C65.6 H63.6 F19.2 N7.6 O4.8 P3.2 -","- C65.6 H63.6 F19.2 N7.6 O4.8 P3.2 -","- C131.2 H127.2 F38.4 N15.2 O9.6 P6.4 -","2","1","","Jiao, Tianyu; Cai, Kang; Nelson, Jordan N.; Jiao, Yang; Qiu, Yunyan; Wu, Guangcheng; Zhou, Jiawang; Cheng, Chuyang; Shen, Dengke; Feng, Yuanning; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser; Li, Hao","Stabilizing the Naphthalenediimide Radical within a Tetracationic Cyclophane.","Journal of the American Chemical Society","2019","141","42","16915","16922","10.1021/jacs.9b08926","","","1.54178","CuKα","","0.0912","0.0829","","","0.2339","0.2433","","","","","","1.033","","","","has coordinates,has disorder","221099","2020-10-21","18:00:00",""
"4127942","11.3842","0.0006","18.1455","0.001","20.4946","0.0011","112.76","0.005","91.764","0.004","102.586","0.005","3778.9","0.4","181.8","","181.8","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H70 F24 N9 O6 P4 -","- C71 H70 F24 N9 O6 P4 -","- C142 H140 F48 N18 O12 P8 -","2","1","","Jiao, Tianyu; Cai, Kang; Nelson, Jordan N.; Jiao, Yang; Qiu, Yunyan; Wu, Guangcheng; Zhou, Jiawang; Cheng, Chuyang; Shen, Dengke; Feng, Yuanning; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser; Li, Hao","Stabilizing the Naphthalenediimide Radical within a Tetracationic Cyclophane.","Journal of the American Chemical Society","2019","141","42","16915","16922","10.1021/jacs.9b08926","","","0.71073","MoKα","","0.1701","0.1216","","","0.3338","0.3884","","","","","","1.284","","","","has coordinates,has disorder","221100","2020-10-21","18:00:00",""
"4127943","17.547","0.0013","27.825","0.003","18.3914","0.0014","90","","101.895","0.006","90","","8786.7","1.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H83 F18 N7 O12 P3 -","- C86 H83 F18 N7 O12 P3 -","- C344 H332 F72 N28 O48 P12 -","4","1","","Jiao, Tianyu; Cai, Kang; Nelson, Jordan N.; Jiao, Yang; Qiu, Yunyan; Wu, Guangcheng; Zhou, Jiawang; Cheng, Chuyang; Shen, Dengke; Feng, Yuanning; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser; Li, Hao","Stabilizing the Naphthalenediimide Radical within a Tetracationic Cyclophane.","Journal of the American Chemical Society","2019","141","42","16915","16922","10.1021/jacs.9b08926","","","1.54178","CuKα","","0.1952","0.1616","","","0.3917","0.4184","","","","","","1.475","","","","has coordinates,has disorder","221101","2020-10-21","18:00:00",""
"4127944","10.6208","0.0008","14.5195","0.0011","16.0462","0.0012","104.065","0.002","99.592","0.002","102.634","0.002","2278.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H74 Al F3 N2 O4 S -","- C46 H74 Al F3 N2 O4 S -","- C92 H148 Al2 F6 N4 O8 S2 -","2","1","","Mellerup, Soren K.; Cui, Yunshu; Fantuzzi, Felipe; Schmid, Paul; Goettel, James T.; Bélanger-Chabot, Guillaume; Arrowsmith, Merle; Krummenacher, Ivo; Ye, Qing; Engel, Volker; Engels, Bernd; Braunschweig, Holger","Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient Conditions.","Journal of the American Chemical Society","2019","141","42","16954","16960","10.1021/jacs.9b09128","","","0.71073","MoKα","","0.0689","0.0492","","","0.1242","0.1372","","","","","","1.008","","","","has coordinates,has disorder","221102","2020-10-21","18:00:00",""
"4127945","9.602","0.002","12.341","0.003","16.807","0.005","89.029","0.013","86.294","0.01","69.262","0.01","1858.6","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H63 Al N2 -","- C40 H63 Al N2 -","- C80 H126 Al2 N4 -","2","1","","Mellerup, Soren K.; Cui, Yunshu; Fantuzzi, Felipe; Schmid, Paul; Goettel, James T.; Bélanger-Chabot, Guillaume; Arrowsmith, Merle; Krummenacher, Ivo; Ye, Qing; Engel, Volker; Engels, Bernd; Braunschweig, Holger","Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient Conditions.","Journal of the American Chemical Society","2019","141","42","16954","16960","10.1021/jacs.9b09128","","","0.71073","MoKα","","0.0645","0.0502","","","0.1061","0.1136","","","","","","1.068","","","","has coordinates","221103","2020-10-21","18:00:00",""
"4127946","12.642","0.006","19.274","0.008","17.059","0.007","90","","111.537","0.014","90","","3866","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H63 Al Cl2 N2 -","- C40 H63 Al Cl2 N2 -","- C160 H252 Al4 Cl8 N8 -","4","1","","Mellerup, Soren K.; Cui, Yunshu; Fantuzzi, Felipe; Schmid, Paul; Goettel, James T.; Bélanger-Chabot, Guillaume; Arrowsmith, Merle; Krummenacher, Ivo; Ye, Qing; Engel, Volker; Engels, Bernd; Braunschweig, Holger","Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient Conditions.","Journal of the American Chemical Society","2019","141","42","16954","16960","10.1021/jacs.9b09128","","","0.71073","MoKα","","0.0502","0.0389","","","0.0966","0.1041","","","","","","1.022","","","","has coordinates","221104","2020-10-21","18:00:00",""
"4127947","13.647","0.004","27.147","0.007","13.569","0.004","90","","100.226","0.007","90","","4947","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H84 Al N2 Na Si -","- C49 H84 Al N2 Na Si -","- C196 H336 Al4 N8 Na4 Si4 -","4","0.5","","Mellerup, Soren K.; Cui, Yunshu; Fantuzzi, Felipe; Schmid, Paul; Goettel, James T.; Bélanger-Chabot, Guillaume; Arrowsmith, Merle; Krummenacher, Ivo; Ye, Qing; Engel, Volker; Engels, Bernd; Braunschweig, Holger","Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient Conditions.","Journal of the American Chemical Society","2019","141","42","16954","16960","10.1021/jacs.9b09128","","","0.71073","MoKα","","0.0724","0.0536","","","0.1037","0.1117","","","","","","1.113","","","","has coordinates,has disorder","221105","2020-10-21","18:00:00",""
"4127948","7.8711","0.0013","34.698","0.006","20.06","0.003","90","","99.45","0.003","90","","5404.3","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl3 F2 -","- C14 H9 Cl3 F2 -","- C224 H144 Cl48 F32 -","16","4","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.0745","0.0454","","","0.0915","0.103","","","","","","1.014","","","","has coordinates","221106","2020-10-21","18:00:00",""
"4127949","9.3017","0.0011","13.2943","0.0015","10.9353","0.0013","90","","97.406","0.002","90","","1341","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl3 F2 -","- C14 H9 Cl3 F2 -","- C56 H36 Cl12 F8 -","4","1","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.0478","0.0362","","","0.0843","0.0894","","","","","","1.018","","","","has coordinates","221106","2020-10-21","18:00:00",""
"4127950","9.923","0.0006","7.808","0.0005","18.1832","0.0011","90","","94.507","0.001","90","","1404.46","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 Cl4 F -","- C14 H9 Cl4 F -","- C56 H36 Cl16 F4 -","4","2","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.0272","0.0253","","","0.0573","0.0583","","","","","","1.023","","","","has coordinates","221106","2020-10-21","18:00:00",""
"4127951","9.9215","0.0007","7.8098","0.0005","18.1864","0.0012","90","","94.507","0.001","90","","1404.81","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 Cl4 F -","- C14 H9 Cl4 F -","- C56 H36 Cl16 F4 -","4","2","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.0271","0.0254","","","0.0576","0.0584","","","","","","1.034","","","","has coordinates","221106","2020-10-21","18:00:00",""
"4127952","9.6421","0.0005","9.6762","0.0005","16.3543","0.0009","94.296","0.001","103.025","0.001","107.253","0.001","1403.12","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H9 Cl4 F -","- C14 H9 Cl4 F -","- C56 H36 Cl16 F4 -","4","2","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.0454","0.0373","","","0.0894","0.0935","","","","","","1.04","","","","has coordinates,has disorder","221106","2020-10-21","18:00:00",""
"4127953","7.862","0.003","34.467","0.013","21.043","0.008","90","","99.217","0.003","90","","5629","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl4 F -","- C14 H9 Cl4 F -","- C224 H144 Cl64 F16 -","16","4","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.1145","0.0889","","","0.2415","0.2569","","","","","","1.27","","","","has coordinates,has disorder","221106","2020-10-21","18:00:00",""
"4127954","9.881","0.006","7.799","0.005","36.55","0.02","90","","90","","90","","2817","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H9 Cl4 F -","- C14 H9 Cl4 F -","- C112 H72 Cl32 F8 -","8","1","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.1444","0.1242","","","0.4113","0.422","","","","","","1.783","","","","has coordinates,has disorder","221106","2020-10-21","18:00:00",""
"4127955","3.9548","0.00012","3.9548","0.00012","24.0993","0.0012","90","","90","","120","","326.43","0.02","180","0.1","180","0.1","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Bi2.72 Cs1.03 Mn1.28 S6 -","- Bi2.7204 Cs1.03 Mn1.2796 S6 -","- Bi2.7204 Cs1.03 Mn1.2796 S6 -","1","0.0416667","","Wang, Ruiqi; Chen, Haijie; Xiao, Yi; Hadar, Ido; Bu, Kejun; Zhang, Xian; Pan, Jie; Gu, Yuhao; Guo, Zhongnan; Huang, Fuqiang; Kanatzidis, Mercouri G.","K<sub> <i>x</i> </sub>[Bi<sub>4-<i>x</i></sub>Mn<sub> <i>x</i> </sub>S<sub>6</sub>], Design of a Highly Selective Ion Exchange Material and Direct Gap 2D Semiconductor.","Journal of the American Chemical Society","2019","141","42","16903","16914","10.1021/jacs.9b08674","","","0.71073","MoKα","","0.0344","0.0337","","","0.0828","0.0833","","","","","","1.274","","","","has coordinates","221107","2020-10-21","18:00:00",""
"4127956","3.95293","0.00014","3.95293","0.00014","23.5976","0.0015","90","","90","","120","","319.33","0.03","179.99","0.1","179.99","0.1","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Bi2.72 Mn1.28 Rb0.88 S6 -","- Bi2.7204 Mn1.28 Rb0.88 S6 -","- Bi2.7204 Mn1.28 Rb0.88 S6 -","1","0.0416667","","Wang, Ruiqi; Chen, Haijie; Xiao, Yi; Hadar, Ido; Bu, Kejun; Zhang, Xian; Pan, Jie; Gu, Yuhao; Guo, Zhongnan; Huang, Fuqiang; Kanatzidis, Mercouri G.","K<sub> <i>x</i> </sub>[Bi<sub>4-<i>x</i></sub>Mn<sub> <i>x</i> </sub>S<sub>6</sub>], Design of a Highly Selective Ion Exchange Material and Direct Gap 2D Semiconductor.","Journal of the American Chemical Society","2019","141","42","16903","16914","10.1021/jacs.9b08674","","","0.71073","MoKα","","0.0386","0.0386","","","0.0848","0.0848","","","","","","1.319","","","","has coordinates","221108","2020-10-21","18:00:00",""
"4127957","3.9521","0.00014","3.9521","0.00014","23.0937","0.0016","90","","90","","120","","312.38","0.03","180","0.02","180","0.02","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Bi2.72 K1.28 Mn1.28 S6 -","- Bi2.7196 K1.282 Mn1.2804 S6 -","- Bi2.7196 K1.282 Mn1.2804 S6 -","1","0.0416667","","Wang, Ruiqi; Chen, Haijie; Xiao, Yi; Hadar, Ido; Bu, Kejun; Zhang, Xian; Pan, Jie; Gu, Yuhao; Guo, Zhongnan; Huang, Fuqiang; Kanatzidis, Mercouri G.","K<sub> <i>x</i> </sub>[Bi<sub>4-<i>x</i></sub>Mn<sub> <i>x</i> </sub>S<sub>6</sub>], Design of a Highly Selective Ion Exchange Material and Direct Gap 2D Semiconductor.","Journal of the American Chemical Society","2019","141","42","16903","16914","10.1021/jacs.9b08674","","","0.71073","MoKα","","0.0266","0.0238","","","0.0512","0.0519","","","","","","1.269","","","","has coordinates","221109","2020-10-21","18:00:00",""
"4127958","3.94702","0.00017","3.94702","0.00017","23.4271","0.0017","90","","90","","120","","316.07","0.03","180","0.1","180","0.1","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Bi2.72 Mn1.28 S6 Zn0.64 -","- Bi2.7204 Mn1.28 S6 Zn0.64 -","- Bi2.7204 Mn1.28 S6 Zn0.64 -","1","0.0416667","","Wang, Ruiqi; Chen, Haijie; Xiao, Yi; Hadar, Ido; Bu, Kejun; Zhang, Xian; Pan, Jie; Gu, Yuhao; Guo, Zhongnan; Huang, Fuqiang; Kanatzidis, Mercouri G.","K<sub> <i>x</i> </sub>[Bi<sub>4-<i>x</i></sub>Mn<sub> <i>x</i> </sub>S<sub>6</sub>], Design of a Highly Selective Ion Exchange Material and Direct Gap 2D Semiconductor.","Journal of the American Chemical Society","2019","141","42","16903","16914","10.1021/jacs.9b08674","","","0.71073","MoKα","","0.0345","0.0326","","","0.0761","0.0772","","","","","","1.392","","","","has coordinates","221110","2020-10-21","18:00:00",""
"4127959","9.9133","0.0007","9.9284","0.001","13.9131","0.001","74.704","0.005","71.972","0.003","60.445","0.004","1122.44","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N2 O4 -","- C28 H26 N2 O4 -","- C56 H52 N4 O8 -","2","1","","Jiang, Xing; Duan, Hai-Bao; Jellen, Marcus J.; Chen, Yu; Chung, Tim S.; Liang, Yong; Garcia-Garibay, Miguel A","Thermally Activated Transient Dipoles and Rotational Dynamics of Hydrogen-Bonded and Charge-Transferred Diazabicyclo [2.2.2]Octane Molecular Rotors.","Journal of the American Chemical Society","2019","141","42","16802","16809","10.1021/jacs.9b07518","","","1.54178","CuKα","","0.044","0.0386","","","0.1005","0.1054","","","","","","1.077","","","","has coordinates","221112","2020-10-21","18:00:00",""
"4127960","8.7804","0.0004","9.4799","0.0004","21.6599","0.001","91.253","0.002","100.354","0.002","100.068","0.002","1743.6","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H44 N2 O4 -","- C46 H44 N2 O4 -","- C92 H88 N4 O8 -","2","1","","Jiang, Xing; Duan, Hai-Bao; Jellen, Marcus J.; Chen, Yu; Chung, Tim S.; Liang, Yong; Garcia-Garibay, Miguel A","Thermally Activated Transient Dipoles and Rotational Dynamics of Hydrogen-Bonded and Charge-Transferred Diazabicyclo [2.2.2]Octane Molecular Rotors.","Journal of the American Chemical Society","2019","141","42","16802","16809","10.1021/jacs.9b07518","","","1.54178","CuKα","","0.0423","0.0382","","","0.1006","0.1038","","","","","","1.041","","","","has coordinates","221113","2020-10-21","18:00:00",""
"4127961","5.5889","0.0005","7.8356","0.0007","22.0624","0.0017","90","","91.268","0.004","90","","965.93","0.14","287","2","287","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 O P -","- C23 H23 O P -","- C46 H46 O2 P2 -","2","1","","Liu, Xu-Teng; Zhang, Ya-Qian; Han, Xue-Yu; Sun, Shi-Ping; Zhang, Qing-Wei","Ni-Catalyzed Asymmetric Allylation of Secondary Phosphine Oxides.","Journal of the American Chemical Society","2019","141","42","16584","16589","10.1021/jacs.9b08734","","","1.54178","CuKα","","0.0844","0.0682","","","0.198","0.2292","","","","","","1.074","","","","has coordinates","221114","2020-10-21","18:00:00",""
"4127962","10.1504","0.0013","13.5086","0.0017","20.683","0.003","105.697","0.003","91.413","0.003","96.977","0.004","2705.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H45 Cl Co N2 -","- C56 H45 Cl Co N2 -","- C112 H90 Cl2 Co2 N4 -","2","1","","Baek, Yunjung; Hennessy, Elisabeth T.; Betley, Theodore A.","Direct Manipulation of Metal Imido Geometry: Key Principles to Enhance C-H Amination Efficacy.","Journal of the American Chemical Society","2019","141","42","16944","16953","10.1021/jacs.9b09015","","","0.71073","MoKα","","0.1555","0.0948","","","0.2318","0.2621","","","","","","1.059","","","","has coordinates,has disorder","221115","2020-10-21","18:00:00",""
"4127963","16.87","0.003","16.39","0.003","18.057","0.003","90","","92.266","0.004","90","","4988.8","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H57 Co N2 -","- C68 H57 Co N2 -","- C272 H228 Co4 N8 -","4","1","","Baek, Yunjung; Hennessy, Elisabeth T.; Betley, Theodore A.","Direct Manipulation of Metal Imido Geometry: Key Principles to Enhance C-H Amination Efficacy.","Journal of the American Chemical Society","2019","141","42","16944","16953","10.1021/jacs.9b09015","","","0.71073","MoKα","","0.1212","0.0585","","","0.1086","0.1278","","","","","","1.005","","","","has coordinates","221115","2020-10-21","18:00:00",""
"4127964","43.307","0.009","11.775","0.003","23.012","0.005","90","","121.668","0.004","90","","9987","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H60 Co N3 -","- C66 H60 Co N3 -","- C528 H480 Co8 N24 -","8","1","","Baek, Yunjung; Hennessy, Elisabeth T.; Betley, Theodore A.","Direct Manipulation of Metal Imido Geometry: Key Principles to Enhance C-H Amination Efficacy.","Journal of the American Chemical Society","2019","141","42","16944","16953","10.1021/jacs.9b09015","","","0.71073","MoKα","","0.138","0.0715","","","0.1028","0.1207","","","","","","1.012","","","","has coordinates","221115","2020-10-21","18:00:00",""
"4127965","43.246","0.004","9.1582","0.0009","30.563","0.003","90","","117.576","0.003","90","","10729.5","1.8","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C61 H50 Co N3 -","- C61 H50 Co N3 -","- C488 H400 Co8 N24 -","8","1","","Baek, Yunjung; Hennessy, Elisabeth T.; Betley, Theodore A.","Direct Manipulation of Metal Imido Geometry: Key Principles to Enhance C-H Amination Efficacy.","Journal of the American Chemical Society","2019","141","42","16944","16953","10.1021/jacs.9b09015","","","0.71073","MoKα","","0.2244","0.1937","","","0.4041","0.4212","","","","","","1.144","","","","has coordinates,has disorder","221115","2020-10-21","18:00:00",""
"4127966","14.3745","0.0004","6.0487","0.0002","24.5776","0.0006","90","","90","","90","","2136.95","0.11","98","2","98","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C112 H96 N16 -","8","1","","Neff, Robynne K.; Su, Yong-Liang; Liu, Siqi; Rosado, Melina; Zhang, Xinhao; Doyle, Michael P.","Generation of Halomethyl Radicals by Halogen Atom Abstraction and Their Addition Reactions with Alkenes.","Journal of the American Chemical Society","2019","141","42","16643","16650","10.1021/jacs.9b05921","","x-ray","0.71073","MoKα","","0.0409","0.0392","","","0.0978","0.0991","","","","","","1.054","","","","has coordinates","221116","2020-10-21","18:00:00",""
"4127967","10.3031","0.0006","19.9676","0.0012","15.9668","0.0011","90","","97.155","0.002","90","","3259.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H50 Al N2 P -","- C34 H50 Al N2 P -","- C136 H200 Al4 N8 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.0852","0.0456","","","0.0954","0.1088","","","","","","1.025","","","","has coordinates","221117","2020-10-21","18:00:00",""
"4127968","10.8796","0.0008","19.0921","0.0013","17.8224","0.0013","90","","101.081","0.002","90","","3633","0.5","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Al N2 P -","- C40 H56 Al N2 P -","- C160 H224 Al4 N8 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.0731","0.0434","","","0.107","0.1218","","","","","","1.02","","","","has coordinates","221117","2020-10-21","18:00:00",""
"4127969","10.8256","0.0016","11.8327","0.0019","18.443","0.003","81.938","0.008","89.277","0.008","84.754","0.008","2329.3","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H78 Al N2 O P -","- C49 H78 Al N2 O P -","- C98 H156 Al2 N4 O2 P2 -","2","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.1344","0.067","","","0.1617","0.1929","","","","","","1.024","","","","has coordinates","221117","2020-10-21","18:00:00",""
"4127970","17.055","0.005","14.341","0.004","17.956","0.004","90","","101.073","0.009","90","","4310","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H67 Al N3 P -","- C47 H67 Al N3 P -","- C188 H268 Al4 N12 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.1426","0.0826","","","0.1955","0.229","","","","","","1.021","","","","has coordinates,has disorder","221117","2020-10-21","18:00:00",""
"4127971","14.2095","0.0013","18.7653","0.0018","20.5344","0.0016","90","","109.719","0.004","90","","5154.3","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H84 Al N4 P -","- C55 H84 Al N4 P -","- C220 H336 Al4 N16 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.1347","0.0605","","","0.1349","0.17","","","","","","0.967","","","","has coordinates,has disorder","221117","2020-10-21","18:00:00",""
"4127972","19.903","0.004","18.583","0.003","10.166","0.002","90","","90","","90","","3760","1.2","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H56.25 Al N2 P Se -","- C40 H56 Al N2 P Se -","- C160 H224 Al4 N8 P4 Se4 -","4","0.5","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.0907","0.0523","","","0.125","0.146","","","","","","1.042","","","","has coordinates","221117","2020-10-21","18:00:00",""
"4127973","20.879","0.004","20.184","0.004","10.7723","0.0015","90","","90","","90","","4539.7","1.4","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C53 H66 Al N2 O P -","- C53 H66 Al N2 O P -","- C212 H264 Al4 N8 O4 P4 -","4","0.5","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.0687","0.0437","","","0.1032","0.1207","","","","","","0.878","","","","has coordinates,has disorder","221117","2020-10-21","18:00:00",""
"4127974","33.78","0.03","12.772","0.011","22.14","0.03","90","","90","","90","","9552","18","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C55 H68 Al N2 O P -","- C55 H68 Al N2 O P -","- C440 H544 Al8 N16 O8 P8 -","8","2","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.1543","0.0847","","","0.1939","0.2354","","","","","","1.017","","","","has coordinates,has disorder","221117","2020-10-21","18:00:00",""
"4127975","27.6729","0.0016","11.0531","0.0005","33.7785","0.0016","90","","103.962","0.003","90","","10026.6","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56.5 H72 Al N4 P -","- C56.5 H72 Al N4 P -","- C452 H576 Al8 N32 P8 -","8","2","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.1447","0.0756","","","0.1508","0.1855","","","","","","1.117","","","","has coordinates","221117","2020-10-21","18:00:00",""
"4127976","31.6822","0.0004","23.4638","0.0002","27.1118","0.0004","90","","90","","90","","20154.5","0.4","100.01","0.1","100.01","0.1","","","","","","","","3","C m c m","-C 2c 2","63","","","","- H80 O110 Zr25 -","- H80 O110 Zr25 -","- H320 O440 Zr100 -","4","0.25","","Sommers, James A.; Hutchison, Danielle C.; Martin, Nicolas P.; Kozma, Karoly; Keszler, Douglas A.; Nyman, May","Peroxide-Promoted Disassembly Reassembly of Zr-Polyoxocations.","Journal of the American Chemical Society","2019","141","42","16894","16902","10.1021/jacs.9b08627","","x-ray","0.71073","MoKα","","0.0525","0.0484","","","0.1614","0.1645","","","","","","1.049","","","","has coordinates,has disorder","221118","2020-10-21","18:00:00",""
"4127977","10.4563","0.0003","21.6794","0.0006","17.1366","0.0004","90","","90.832","0.001","90","","3884.22","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl6 H36 O49 Zr4 -","- Cl6 H36 O49 Zr4 -","- Cl24 H144 O196 Zr16 -","4","1","","Sommers, James A.; Hutchison, Danielle C.; Martin, Nicolas P.; Kozma, Karoly; Keszler, Douglas A.; Nyman, May","Peroxide-Promoted Disassembly Reassembly of Zr-Polyoxocations.","Journal of the American Chemical Society","2019","141","42","16894","16902","10.1021/jacs.9b08627","","","1.54178","CuKα","","0.0396","0.0333","","","0.0788","0.0818","","","","","","1.047","","","","has coordinates","221119","2020-10-21","18:00:00",""
"4127978","16.7157","0.0005","16.7157","0.0005","27.2185","0.001","90","","90","","90","","7605.2","0.4","171","","171","","","","","","","","","4","I 4/m","-I 4","87","","","","- Cl24.02 H96 O168.11 Zr12 -","- Cl24.0264 O168.106 Zr12 -","- Cl48.0528 O336.211 Zr24 -","2","0.125","","Sommers, James A.; Hutchison, Danielle C.; Martin, Nicolas P.; Kozma, Karoly; Keszler, Douglas A.; Nyman, May","Peroxide-Promoted Disassembly Reassembly of Zr-Polyoxocations.","Journal of the American Chemical Society","2019","141","42","16894","16902","10.1021/jacs.9b08627","","","1.54178","CuKα","","0.0963","0.0729","","","0.2106","0.2322","","","","","","1.041","","","","has coordinates,has disorder","221120","2020-10-21","18:00:00",""
"4127979","10.4082","0.0001","13.6167","0.0001","18.5933","0.0002","90","","90","","90","","2635.14","0.04","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H24 F N O2 S -","- C32 H24 F N O2 S -","- C128 H96 F4 N4 O8 S4 -","4","1","","Hong, Feng-Lin; Wang, Ze-Shu; Wei, Dong-Dong; Zhai, Tong-Yi; Deng, Guo-Cheng; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Generation of Donor/Donor Copper Carbenes through Copper-Catalyzed Diyne Cyclization: Enantioselective and Divergent Synthesis of Chiral Polycyclic Pyrroles.","Journal of the American Chemical Society","2019","141","42","16961","16970","10.1021/jacs.9b09303","","x-ray","1.54184","CuKα","","0.0328","0.0311","","","0.0862","0.0877","","","","","","1.051","","","","has coordinates","221121","2020-10-21","18:00:00",""
"4127980","5.477","0.0002","17.2742","0.0005","22.007","0.0006","90","","90","","90","","2082.1","0.11","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Br N O3 S -","- C24 H18 Br N O3 S -","- C96 H72 Br4 N4 O12 S4 -","4","1","","Hong, Feng-Lin; Wang, Ze-Shu; Wei, Dong-Dong; Zhai, Tong-Yi; Deng, Guo-Cheng; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Generation of Donor/Donor Copper Carbenes through Copper-Catalyzed Diyne Cyclization: Enantioselective and Divergent Synthesis of Chiral Polycyclic Pyrroles.","Journal of the American Chemical Society","2019","141","42","16961","16970","10.1021/jacs.9b09303","","x-ray","1.54184","CuKα","","0.0448","0.042","","","0.1114","0.1163","","","","","","1.051","","","","has coordinates","221122","2020-10-21","18:00:00",""
"4127981","30.9242","0.0009","13.3451","0.0004","16.9298","0.0005","90","","108.846","0.001","90","","6612.1","0.3","90","","90","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[LCo2K(C5H11N)2(MeO)2(MeOH)2](CF3SO3)(MeOH)2.5(Et2O)","","","- C61.5 H80 Co2 F3 K N6 O16.5 S -","- C61.5 H80 Co2 F3 K N6 O16.5 S -","- C246 H320 Co8 F12 K4 N24 O66 S4 -","4","0.5","","Sakata, Yoko; Tamiya, Munehiro; Okada, Masahiro; Akine, Shigehisa","Switching of <i>Recognition First</i> and <i>Reaction First</i> Mechanisms in Host-Guest Binding Associated with Chemical Reactions.","Journal of the American Chemical Society","2019","141","39","15597","15604","10.1021/jacs.9b06926","","","1.54178","CuKα","","0.0843","0.0718","","","0.1934","0.2059","","","","","","1.039","","","","has coordinates,has disorder","221123","2020-10-21","18:00:00",""
"4127982","10.137","0.0007","11.5336","0.0008","16.1693","0.0011","72.752","0.004","71.808","0.004","70.2","0.004","1650.9","0.2","93","","93","","","","","","","","","7","P -1","-P 1","2","[LCo2(pip)4](CF3SO3)2_2MeOH","","","- C64 H76 Co2 F6 N8 O14 S2 -","- C64 H76 Co2 F6 N8 O14 S2 -","- C64 H76 Co2 F6 N8 O14 S2 -","1","0.5","","Sakata, Yoko; Tamiya, Munehiro; Okada, Masahiro; Akine, Shigehisa","Switching of <i>Recognition First</i> and <i>Reaction First</i> Mechanisms in Host-Guest Binding Associated with Chemical Reactions.","Journal of the American Chemical Society","2019","141","39","15597","15604","10.1021/jacs.9b06926","","","1.54178","CuKα","","0.0594","0.0508","","","0.1302","0.1357","","","","","","1.035","","","","has coordinates","221124","2020-10-21","18:00:00",""
"4127983","20.5672","0.0012","15.4382","0.0009","19.5237","0.001","90","","106.945","0.004","90","","5930","0.6","90","","90","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[LCo2Na(C5H11N)2(MeO)2(MeOH)2](CF3SO3)(MeOH)2","","","- C57 H68 Co2 F3 N6 Na O15 S -","- C57 H68 Co2 F3 N6 Na O15 S -","- C228 H272 Co8 F12 N24 Na4 O60 S4 -","4","0.5","","Sakata, Yoko; Tamiya, Munehiro; Okada, Masahiro; Akine, Shigehisa","Switching of <i>Recognition First</i> and <i>Reaction First</i> Mechanisms in Host-Guest Binding Associated with Chemical Reactions.","Journal of the American Chemical Society","2019","141","39","15597","15604","10.1021/jacs.9b06926","","","1.54178","CuKα","","0.0805","0.0588","","","0.1518","0.1661","","","","","","1.042","","","","has coordinates,has disorder","221125","2020-10-21","18:00:00",""
"4127984","12.1658","0.0005","14.5252","0.0005","14.8017","0.0008","90","","109.073","0.002","90","","2472.03","0.19","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H41 Cl N2 O3 S -","- C22 H41 Cl N2 O3 S -","- C88 H164 Cl4 N8 O12 S4 -","4","1","","Mihai, Madalina T.; Williams, Benjamin D.; Phipps, Robert J.","<i>Para</i>-Selective C-H Borylation of Common Arene Building Blocks Enabled by Ion-Pairing with a Bulky Countercation.","Journal of the American Chemical Society","2019","141","39","15477","15482","10.1021/jacs.9b07267","","","1.54178","CuKα","","0.0374","0.035","","","0.0902","0.0916","","","","","","1.036","","","","has coordinates","221126","2020-10-21","18:00:00",""
"4127985","8.6478","0.0003","23.7341","0.0008","12.8671","0.0004","90","","95.869","0.002","90","","2627.1","0.15","180","2","180","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C23 H42 Br N O4 S -","- C23 H42 Br N O4 S -","- C92 H168 Br4 N4 O16 S4 -","4","2","","Mihai, Madalina T.; Williams, Benjamin D.; Phipps, Robert J.","<i>Para</i>-Selective C-H Borylation of Common Arene Building Blocks Enabled by Ion-Pairing with a Bulky Countercation.","Journal of the American Chemical Society","2019","141","39","15477","15482","10.1021/jacs.9b07267","","","1.54178","CuKα","","0.0713","0.0562","","","0.1272","0.1367","","","","","","1.02","","","","has coordinates","221127","2020-10-21","18:00:00",""
"4127986","10.0834","0.0006","15.2873","0.0008","17.347","0.0009","89.052","0.004","75.296","0.004","87.331","0.003","2583.6","0.2","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H43 Cl N2 O3 S -","- C23 H43 Cl N2 O3 S -","- C92 H172 Cl4 N8 O12 S4 -","4","2","","Mihai, Madalina T.; Williams, Benjamin D.; Phipps, Robert J.","<i>Para</i>-Selective C-H Borylation of Common Arene Building Blocks Enabled by Ion-Pairing with a Bulky Countercation.","Journal of the American Chemical Society","2019","141","39","15477","15482","10.1021/jacs.9b07267","","","1.54178","CuKα","","0.1898","0.117","","","0.2068","0.2452","","","","","","1.078","","","","has coordinates","221128","2020-10-21","18:00:00",""
"4127987","8.0632","0.0004","13.0863","0.0007","13.1906","0.0007","90","","101.107","0.002","90","","1365.77","0.12","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O7 -","- C15 H16 O7 -","- C60 H64 O28 -","4","1","","Novak, Alexander J. E.; Grigglestone, Claire E.; Trauner, Dirk","A Biomimetic Synthesis Elucidates the Origin of Preuisolactone A.","Journal of the American Chemical Society","2019","141","39","15515","15518","10.1021/jacs.9b08892","","","0.71073","MoKα","","0.0727","0.051","","","0.132","0.1474","","","","","","1.061","","","","has coordinates","221129","2020-10-21","18:00:00",""
"4127988","12.0929","0.0005","12.1407","0.0006","32.496","0.0015","84.6775","0.0016","82.833","0.0015","89.9763","0.0015","4713","0.4","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H40 I4 N2 S8 Sn -","- C40 H40 I4 N2 S8 Sn -","- C160 H160 I16 N8 S32 Sn4 -","4","4","","Gao, Yao; Wei, Zitang; Yoo, Pilsun; Shi, Enzheng; Zeller, Matthias; Zhu, Chenhui; Liao, Peilin; Dou, Letian","Highly Stable Lead-Free Perovskite Field-Effect Transistors Incorporating Linear π-Conjugated Organic Ligands.","Journal of the American Chemical Society","2019","141","39","15577","15585","10.1021/jacs.9b06276","","","1.54178","CuKα","","0.149","0.1375","","","0.3738","0.4125","","","","","","1.096","","","","has coordinates,has disorder","221130","2020-10-21","18:00:00",""
"4127989","8.6484","0.0005","8.6467","0.0005","32.461","0.002","85.1499","0.0017","85.1329","0.0018","89.5023","0.0016","2410","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 I8 N4 Sn2 -","- C32 H48 I8 N4 Sn2 -","- C64 H96 I16 N8 Sn4 -","2","1","","Gao, Yao; Wei, Zitang; Yoo, Pilsun; Shi, Enzheng; Zeller, Matthias; Zhu, Chenhui; Liao, Peilin; Dou, Letian","Highly Stable Lead-Free Perovskite Field-Effect Transistors Incorporating Linear π-Conjugated Organic Ligands.","Journal of the American Chemical Society","2019","141","39","15577","15585","10.1021/jacs.9b06276","","","0.71073","MoKα","","0.0365","0.0312","","","0.0814","0.0842","","","","","","1.221","","","","has coordinates,has disorder","221131","2020-10-21","18:00:00",""
"4127990","11.665","0.008","12.561","0.005","13.985","0.006","72.96","0.04","81.2","0.05","88.33","0.04","1935.9","1.8","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H52 Mo O2 P2 -","- C45 H52 Mo O2 P2 -","- C90 H104 Mo2 O4 P4 -","2","1","","Buss, Joshua A.; Bailey, Gwendolyn A.; Oppenheim, Julius; VanderVelde, David G.; Goddard, 3rd, William A; Agapie, Theodor","CO Coupling Chemistry of a Terminal Mo Carbide: Sequential Addition of Proton, Hydride, and CO Releases Ethenone.","Journal of the American Chemical Society","2019","141","39","15664","15674","10.1021/jacs.9b07743","","","0.71073","MoKα","","0.0291","0.0224","","","0.0529","0.0554","","","","","","1.06","","","","has coordinates,has disorder","221132","2020-10-21","18:00:00",""
"4127991","13.1011","0.0008","13.0037","0.0008","19.0467","0.0012","90","","95.462","0.004","90","","3230.1","0.3","100","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H94 Cl2 Mo2 O2 P4 -","- C69 H94 Cl2 Mo2 O2 P4 -","- C138 H188 Cl4 Mo4 O4 P8 -","2","0.5","","Buss, Joshua A.; Bailey, Gwendolyn A.; Oppenheim, Julius; VanderVelde, David G.; Goddard, 3rd, William A; Agapie, Theodor","CO Coupling Chemistry of a Terminal Mo Carbide: Sequential Addition of Proton, Hydride, and CO Releases Ethenone.","Journal of the American Chemical Society","2019","141","39","15664","15674","10.1021/jacs.9b07743","","","0.71073","MoKα","","0.0492","0.0339","","","0.073","0.0774","","","","","","1.084","","","","has coordinates,has disorder","221132","2020-10-21","18:00:00",""
"4127992","12.469","0.006","12.592","0.005","23.363","0.011","91.78","0.03","104.66","0.02","102.92","0.03","3444","3","100","2","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C35.75 H45 Cl Mo O2 P2 -","- C35.75 H49 Cl Mo O2 P2 -","- C143 H196 Cl4 Mo4 O8 P8 -","4","2","","Buss, Joshua A.; Bailey, Gwendolyn A.; Oppenheim, Julius; VanderVelde, David G.; Goddard, 3rd, William A; Agapie, Theodor","CO Coupling Chemistry of a Terminal Mo Carbide: Sequential Addition of Proton, Hydride, and CO Releases Ethenone.","Journal of the American Chemical Society","2019","141","39","15664","15674","10.1021/jacs.9b07743","","","0.71073","MoKα","","0.0598","0.0399","","","0.0947","0.104","","","","","","1.024","","","","has coordinates,has disorder","221132","2020-10-21","18:00:00",""
"4127993","23.82","0.02","21.933","0.009","13.402","0.005","90","","116.5","0.02","90","","6266","6","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H42 Mo O P2 -","- C35.5 H46 Mo O P2 -","- C284 H368 Mo8 O8 P16 -","8","1","","Buss, Joshua A.; Bailey, Gwendolyn A.; Oppenheim, Julius; VanderVelde, David G.; Goddard, 3rd, William A; Agapie, Theodor","CO Coupling Chemistry of a Terminal Mo Carbide: Sequential Addition of Proton, Hydride, and CO Releases Ethenone.","Journal of the American Chemical Society","2019","141","39","15664","15674","10.1021/jacs.9b07743","","","1.54178","CuKα","","0.0379","0.0355","","","0.0996","0.1021","","","","","","1.075","","","","has coordinates,has disorder","221132","2020-10-21","18:00:00",""
"4127994","11.6736","0.0005","12.0522","0.0005","14.3227","0.0006","94.987","0.002","105.434","0.002","110.315","0.002","1785.4","0.14","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H55 Mo O P2 Si -","- C37 H55 Mo O P2 Si -","- C74 H110 Mo2 O2 P4 Si2 -","2","1","","Buss, Joshua A.; Bailey, Gwendolyn A.; Oppenheim, Julius; VanderVelde, David G.; Goddard, 3rd, William A; Agapie, Theodor","CO Coupling Chemistry of a Terminal Mo Carbide: Sequential Addition of Proton, Hydride, and CO Releases Ethenone.","Journal of the American Chemical Society","2019","141","39","15664","15674","10.1021/jacs.9b07743","","","0.71073","MoKα","","0.0412","0.0292","","","0.0692","0.0736","","","","","","1.044","","","","has coordinates","221132","2020-10-21","18:00:00",""
"4127995","6.8171","0.0005","13.2954","0.0009","18.339","0.0015","90","","90","","90","","1662.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N4 O2 S -","- C17 H20 N4 O2 S -","- C68 H80 N16 O8 S4 -","4","1","","Wang, Zhaofeng; Jiang, Liyin; Sarró, Pau; Suero, Marcos G.","Catalytic Cleavage of C(<i>sp</i><sup>2</sup>)-C(<i>sp</i><sup>2</sup>) Bonds with Rh-Carbynoids.","Journal of the American Chemical Society","2019","141","39","15509","15514","10.1021/jacs.9b08632","","","0.71073","MoKα","","0.055","0.0428","","","0.0945","0.1007","","","","","","1.014","","","","has coordinates","221133","2020-10-21","18:00:00",""
"4127996","9.0628","0.0013","9.3343","0.0014","18.632","0.003","92.924","0.004","100.635","0.004","93.078","0.005","1543.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 F3 I O9 S -","- C26 H36 F3 I O9 S -","- C52 H72 F6 I2 O18 S2 -","2","1","","Wang, Zhaofeng; Jiang, Liyin; Sarró, Pau; Suero, Marcos G.","Catalytic Cleavage of C(<i>sp</i><sup>2</sup>)-C(<i>sp</i><sup>2</sup>) Bonds with Rh-Carbynoids.","Journal of the American Chemical Society","2019","141","39","15509","15514","10.1021/jacs.9b08632","","","0.71073","MoKα","","0.0542","0.0397","","","0.1051","0.1142","","","","","","1.03","","","","has coordinates","221134","2020-10-21","18:00:00",""
"4127997","11.0815","0.0006","18.8668","0.001","8.1309","0.0005","90","","92.8933","0.0015","90","","1697.78","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 O5 -","- C19 H26 O5 -","- C76 H104 O20 -","4","1","","Wang, Zhaofeng; Jiang, Liyin; Sarró, Pau; Suero, Marcos G.","Catalytic Cleavage of C(<i>sp</i><sup>2</sup>)-C(<i>sp</i><sup>2</sup>) Bonds with Rh-Carbynoids.","Journal of the American Chemical Society","2019","141","39","15509","15514","10.1021/jacs.9b08632","","","0.71073","MoKα","","0.0591","0.0447","","","0.1131","0.122","","","","","","1.037","","","","has coordinates","221135","2020-10-21","18:00:00",""
"4127998","16.975","0.006","12.176","0.004","21.669","0.007","90","","104.674","0.006","90","","4333","3","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C104 H102 O10 S6 -","- C104 H102 O10 S6 -","- C208 H204 O20 S12 -","2","0.5","","Suginome, Shun; Sato, Hiroshi; Hori, Akihiro; Mishima, Akio; Harada, Yuki; Kusaka, Shinpei; Matsuda, Ryotaro; Pirillo, Jenny; Hijikata, Yuh; Aida, Takuzo","One-Step Synthesis of an Adaptive Nanographene MOF: Adsorbed Gas-Dependent Geometrical Diversity.","Journal of the American Chemical Society","2019","141","39","15649","15655","10.1021/jacs.9b07732","","","0.71075","MoKα","","0.0925","0.077","","","0.1841","0.1972","","","","","","1.082","","","","has coordinates","221136","2020-10-21","18:00:00",""
"4127999","19.039","0.004","19.244","0.005","19.579","0.006","74.73","0.02","71.112","0.019","61.065","0.016","5890","3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C117.3 H119.66 N5.06 O10.5 Zn -","- C117.295 H119.649 N5.059 O10.5 Zn -","- C234.59 H239.298 N10.118 O21 Zn2 -","2","1","","Suginome, Shun; Sato, Hiroshi; Hori, Akihiro; Mishima, Akio; Harada, Yuki; Kusaka, Shinpei; Matsuda, Ryotaro; Pirillo, Jenny; Hijikata, Yuh; Aida, Takuzo","One-Step Synthesis of an Adaptive Nanographene MOF: Adsorbed Gas-Dependent Geometrical Diversity.","Journal of the American Chemical Society","2019","141","39","15649","15655","10.1021/jacs.9b07732","","x-ray","0.71075","MoKα","","0.2057","0.1489","","","0.3903","0.4361","","","","","","1.231","","","","has coordinates,has disorder","221137","2020-10-21","18:00:00",""
"4128000","14.057","0.008","16.947","0.009","20.427","0.011","73.98","0.04","74.49","0.04","80.6","0.05","4486","4","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C97 H73 N O7 Zn -","- C97 H73 N O7 Zn -","- C194 H146 N2 O14 Zn2 -","2","1","","Suginome, Shun; Sato, Hiroshi; Hori, Akihiro; Mishima, Akio; Harada, Yuki; Kusaka, Shinpei; Matsuda, Ryotaro; Pirillo, Jenny; Hijikata, Yuh; Aida, Takuzo","One-Step Synthesis of an Adaptive Nanographene MOF: Adsorbed Gas-Dependent Geometrical Diversity.","Journal of the American Chemical Society","2019","141","39","15649","15655","10.1021/jacs.9b07732","","x-ray","0.71075","MoKα","","0.2365","0.1741","","","0.4121","0.4674","","","","","","1.228","","","","has coordinates","221139","2020-10-21","18:00:00",""
"4128001","19.145","0.002","19.421","0.003","20.42","0.003","79.032","0.017","63.984","0.013","71.306","0.015","6452.2","1.8","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C92 H64 O4.76 Zn -","- C92 H64 O4.756 Zn -","- C184 H128 O9.512 Zn2 -","2","1","","Suginome, Shun; Sato, Hiroshi; Hori, Akihiro; Mishima, Akio; Harada, Yuki; Kusaka, Shinpei; Matsuda, Ryotaro; Pirillo, Jenny; Hijikata, Yuh; Aida, Takuzo","One-Step Synthesis of an Adaptive Nanographene MOF: Adsorbed Gas-Dependent Geometrical Diversity.","Journal of the American Chemical Society","2019","141","39","15649","15655","10.1021/jacs.9b07732","","x-ray","0.71075","MoKα","","0.1956","0.1167","","","0.3285","0.3778","","","","","","0.978","","","","has coordinates,has disorder","221140","2020-10-21","18:00:00",""
"4128002","11.8219","0.0004","32.0035","0.0008","10.6169","0.0003","90","","115.515","0.004","90","","3625.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H61 Cl N6 Ru -","- C34 H61 Cl N6 Ru -","- C136 H244 Cl4 N24 Ru4 -","4","1","","Tan, Jin-Fay; Bormann, Carl T.; Perrin, Florian G.; Chadwick, F. Mark; Severin, Kay; Cramer, Nicolai","Divergent Synthesis of Densely Substituted Arenes and Pyridines via Cyclotrimerization Reactions of Alkynyl Triazenes.","Journal of the American Chemical Society","2019","141","26","10372","10383","10.1021/jacs.9b04111","","x-ray","1.54184","CuKα","","0.0329","0.0286","","","0.0707","0.0739","","","","","","1.049","","","","has coordinates","221141","2020-10-21","18:00:00",""
"4128003","9.0428","0.0005","11.1213","0.0006","18.9745","0.0014","85.417","0.005","84.226","0.005","66.447","0.005","1738.7","0.2","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H58 Cl2 N3 O0.5 Ru2 -","- C34 H58 Cl2 N3 O0.5 Ru2 -","- C68 H116 Cl4 N6 O Ru4 -","2","1","","Tan, Jin-Fay; Bormann, Carl T.; Perrin, Florian G.; Chadwick, F. Mark; Severin, Kay; Cramer, Nicolai","Divergent Synthesis of Densely Substituted Arenes and Pyridines via Cyclotrimerization Reactions of Alkynyl Triazenes.","Journal of the American Chemical Society","2019","141","26","10372","10383","10.1021/jacs.9b04111","","x-ray","1.54184","CuKα","","0.084","0.0799","","","0.2208","0.2239","","","","","","1.066","","","","has coordinates,has disorder","221142","2020-10-21","18:00:00",""
"4128004","17.78429","0.00017","12.32688","0.00014","10.75495","0.0001","90","","90","","90","","2357.75","0.04","100","0.1","100","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H38 Cl N3 Ru -","- C22 H38 Cl N3 Ru -","- C88 H152 Cl4 N12 Ru4 -","4","0.5","","Tan, Jin-Fay; Bormann, Carl T.; Perrin, Florian G.; Chadwick, F. Mark; Severin, Kay; Cramer, Nicolai","Divergent Synthesis of Densely Substituted Arenes and Pyridines via Cyclotrimerization Reactions of Alkynyl Triazenes.","Journal of the American Chemical Society","2019","141","26","10372","10383","10.1021/jacs.9b04111","","x-ray","1.54184","CuKα","","0.032","0.0315","","","0.0765","0.0768","","","","","","1.068","","","","has coordinates,has disorder","221143","2020-10-21","18:00:00",""
"4128005","14.9596","0.0005","5.7704","0.0002","18.2738","0.0005","90","","93.348","0.002","90","","1574.75","0.09","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","","Soni, Vineet Kumar; Hwang, Ho Seong; Moon, Yu Kyung; Park, Sung-Woo; You, Youngmin; Cho, Eun Jin","Generation of N-Centered Radicals via a Photocatalytic Energy Transfer: Remote Double Functionalization of Arenes Facilitated by Singlet Oxygen.","Journal of the American Chemical Society","2019","141","26","10538","10545","10.1021/jacs.9b05572","","","0.71073","MoKα","","0.0812","0.0451","","","0.1228","0.1506","","","","","","0.838","","","","has coordinates","221144","2020-10-21","18:00:00",""
"4128006","11.5046","0.0004","6.2472","0.0002","24.1703","0.0008","90","","103.232","0.002","90","","1691.04","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C84 H64 N8 O8 -","4","1","","Soni, Vineet Kumar; Hwang, Ho Seong; Moon, Yu Kyung; Park, Sung-Woo; You, Youngmin; Cho, Eun Jin","Generation of N-Centered Radicals via a Photocatalytic Energy Transfer: Remote Double Functionalization of Arenes Facilitated by Singlet Oxygen.","Journal of the American Chemical Society","2019","141","26","10538","10545","10.1021/jacs.9b05572","","","0.71073","MoKα","","0.0933","0.0568","","","0.1414","0.1552","","","","","","1.365","","","","has coordinates","221145","2020-10-21","18:00:00",""
"4128007","11.3128","0.0007","28.029","0.002","12.5915","0.0009","90","","92.095","0.003","90","","3989.9","0.5","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Py4DMBCuOTf2","Py4DMBCuOTf2","","- C36 H34 Cu F6 N4 O10 S2 -","- C36 H34 Cu F6 N4 O10 S2 -","- C144 H136 Cu4 F24 N16 O40 S8 -","4","1","","Tao, Wenjie; Bower, Jamey K.; Moore, Curtis E.; Zhang, Shiyu","Dicopper μ-Oxo, μ-Nitrosyl Complex from the Activation of NO or Nitrite at a Dicopper Center.","Journal of the American Chemical Society","2019","141","26","10159","10164","10.1021/jacs.9b03635","","x-ray","0.71073","MoKα","","0.0391","0.0341","","","0.0797","0.0825","","","","","","1.085","","","","has coordinates","221146","2020-10-21","18:00:00",""
"4128008","12.7591","0.0008","18.1984","0.0011","24.8985","0.0014","91.008","0.002","93.058","0.002","93.513","0.002","5761","0.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C103.49 H58.97 B2 Cl0.51 Cu2 F48 N4 O2.74 -","- C103.478 H58.956 B2 Cl0.522 Cu2 F48 N4 O2.739 -","- C206.956 H117.912 B4 Cl1.044 Cu4 F96 N8 O5.478 -","2","1","","Tao, Wenjie; Bower, Jamey K.; Moore, Curtis E.; Zhang, Shiyu","Dicopper μ-Oxo, μ-Nitrosyl Complex from the Activation of NO or Nitrite at a Dicopper Center.","Journal of the American Chemical Society","2019","141","26","10159","10164","10.1021/jacs.9b03635","","x-ray","0.71073","MoKα","","0.0759","0.0484","","","0.1138","0.1327","","","","","","1.02","","","","has coordinates,has disorder","221147","2020-10-21","18:00:00",""
"4128009","12.8267","0.0006","16.729","0.0009","18.0934","0.0009","102.584","0.002","97.674","0.002","91.056","0.002","3750.7","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H37 B Cu2 F30 N4 O2 -","- C68 H37 B Cu2 F30 N4 O2 -","- C136 H74 B2 Cu4 F60 N8 O4 -","2","1","","Tao, Wenjie; Bower, Jamey K.; Moore, Curtis E.; Zhang, Shiyu","Dicopper μ-Oxo, μ-Nitrosyl Complex from the Activation of NO or Nitrite at a Dicopper Center.","Journal of the American Chemical Society","2019","141","26","10159","10164","10.1021/jacs.9b03635","","x-ray","0.71073","MoKα","","0.0474","0.0371","","","0.097","0.1051","","","","","","1.021","","","","has coordinates,has disorder","221148","2020-10-21","18:00:00",""
"4128010","12.6825","0.0015","17.1535","0.0019","17.278","0.002","61.744","0.003","77.29","0.004","85.224","0.004","3228.8","0.7","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C108 H78 B2 Cu2 F48 N5 O8 -","- C108 H40 B2 Cu2 F48 N5 O7.598 -","- C108 H40 B2 Cu2 F48 N5 O7.598 -","1","0.5","","Tao, Wenjie; Bower, Jamey K.; Moore, Curtis E.; Zhang, Shiyu","Dicopper μ-Oxo, μ-Nitrosyl Complex from the Activation of NO or Nitrite at a Dicopper Center.","Journal of the American Chemical Society","2019","141","26","10159","10164","10.1021/jacs.9b03635","","x-ray","0.71073","MoKα","","0.1531","0.1087","","","0.2789","0.3026","","","","","","1.026","","","","has coordinates,has disorder","221149","2020-10-21","18:00:00",""
"4128011","35.132","0.004","10.4087","0.001","14.2824","0.0015","90","","109.398","0.004","90","","4926.3","0.9","100","","100","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C36 H34 Cu2 F6 N5 O12 S2 -","- C35.999 H33.999 Cu2 F6 N5 O12 S2 -","- C143.996 H135.996 Cu8 F24 N20 O48 S8 -","4","0.5","","Tao, Wenjie; Bower, Jamey K.; Moore, Curtis E.; Zhang, Shiyu","Dicopper μ-Oxo, μ-Nitrosyl Complex from the Activation of NO or Nitrite at a Dicopper Center.","Journal of the American Chemical Society","2019","141","26","10159","10164","10.1021/jacs.9b03635","","x-ray","0.71073","MoKα","","0.0803","0.0592","","","0.1473","0.1606","","","","","","1.029","","","","has coordinates,has disorder","221150","2020-10-21","18:00:00",""
"4128012","19.6283","0.0005","10.3255","0.0004","20.5481","0.0006","90","","98.061","0.002","90","","4123.4","0.2","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H102 F6 Fe2 N10 O10 S2 -","- C81 H102 F6 Fe2 N10 O10 S2 -","- C162 H204 F12 Fe4 N20 O20 S4 -","2","0.5","","Yadav, Vishal; Gordon, Jesse B.; Siegler, Maxime A.; Goldberg, David P.","Dioxygen-Derived Nonheme Mononuclear Fe<sup>III</sup>(OH) Complex and Its Reactivity with Carbon Radicals.","Journal of the American Chemical Society","2019","141","26","10148","10153","10.1021/jacs.9b03329","","","0.71073","MoKα","","0.0526","0.0444","","","0.1031","0.1075","","","","","","1.091","","","","has coordinates,has disorder","221151","2020-10-21","18:00:00",""
"4128013","10.0166","0.0003","10.6374","0.0004","18.2471","0.0006","80.928","0.003","79.036","0.003","79.746","0.003","1862.77","0.11","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H46 F3 Fe N5 O4 S -","- C37 H46 F3 Fe N5 O4 S -","- C74 H92 F6 Fe2 N10 O8 S2 -","2","1","","Yadav, Vishal; Gordon, Jesse B.; Siegler, Maxime A.; Goldberg, David P.","Dioxygen-Derived Nonheme Mononuclear Fe<sup>III</sup>(OH) Complex and Its Reactivity with Carbon Radicals.","Journal of the American Chemical Society","2019","141","26","10148","10153","10.1021/jacs.9b03329","","","0.71073","MoKα","","0.0653","0.0394","","","0.0695","0.0732","","","","","","0.812","","","","has coordinates,has disorder","221152","2020-10-21","18:00:00",""
"4128014","6.7928","0.0005","12.0154","0.0008","25.9101","0.0019","90","","90","","90","","2114.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H12 Cl N O -","- C11 H12 Cl N O -","- C88 H96 Cl8 N8 O8 -","8","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.71073","MoKα","","0.1135","0.0663","","","0.1164","0.131","","","","","","1.161","","","","has coordinates","221153","2020-10-21","18:00:00",""
"4128015","12.818","0.003","14.861","0.003","35.425","0.007","90","","90.91","0.03","90","","6747","2","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64.82 H48.65 B Cl1.65 F24 Ir N3 O3 -","- C64.822 H48.644 B Cl1.644 F24 Ir N3 O3 -","- C259.288 H194.576 B4 Cl6.576 F96 Ir4 N12 O12 -","4","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.67","synchrotron","","0.1008","0.0523","","","0.1372","0.1563","","","","","","0.998","","","","has coordinates,has disorder","221154","2020-10-21","18:00:00",""
"4128016","12.123","0.002","8.799","0.0018","10.357","0.002","90","","111.01","0.03","90","","1031.3","0.4","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 Cl N O -","- C9 H16 Cl N O -","- C36 H64 Cl4 N4 O4 -","4","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.73","synchrotron","","0.0894","0.0721","","","0.2189","0.2369","","","","","","1.184","","","","has coordinates","221155","2020-10-21","18:00:00",""
"4128017","9.81","0.007","8.792","0.007","14.514","0.012","90","","99.86","0.02","90","","1233.3","1.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.71073","MoKα","","0.1481","0.0663","","","0.1254","0.1582","","","","","","1.057","","","","has coordinates","221156","2020-10-21","18:00:00",""
"4128018","24.474","0.005","5.415","0.0011","23.818","0.005","90","","93.99","0.03","90","","3148.9","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cl N O -","- C18 H18 Cl N O -","- C144 H144 Cl8 N8 O8 -","8","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.68","synchrotron","","0.0555","0.0472","","","0.1421","0.147","","","","","","1.154","","","","has coordinates","221157","2020-10-21","18:00:00",""
"4128019","15.338","0.003","16.668","0.003","17.312","0.003","63.37","0.03","73.01","0.03","78.05","0.03","3768.7","1.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H46 B F24 Ir N2 O3 -","- C63 H46 B F24 Ir N2 O3 -","- C126 H92 B2 F48 Ir2 N4 O6 -","2","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.7","synchrotron","","0.0404","0.0365","","","0.1062","0.1077","","","","","","1.214","","","","has coordinates,has disorder","221158","2020-10-21","18:00:00",""
"4128020","13.0708","0.0014","13.5823","0.0014","20.067","0.002","76.785","0.003","80.821","0.003","88.791","0.003","3423.3","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H46 B F24 Ir N2 O3 -","- C63 H46 B F24 Ir N2 O3 -","- C126 H92 B2 F48 Ir2 N4 O6 -","2","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.71073","MoKα","","0.108","0.0621","","","0.1262","0.1595","","","","","","1.118","","","","has coordinates,has disorder","221159","2020-10-21","18:00:00",""
"4128021","16.012","0.003","15.318","0.003","5.595","0.0011","90","","90","","90","","1372.3","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H16 Cl N O -","- C17 H16 Cl N O -","- C68 H64 Cl4 N4 O4 -","4","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.73","synchrotron","","0.0449","0.0428","","","0.1125","0.1142","","","","","","1.094","","","","has coordinates","221160","2020-10-21","18:00:00",""
"4128022","13.756","0.003","15.303","0.003","16.367","0.003","75.85","0.03","80.74","0.03","77.93","0.03","3245","1.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H47 B F24 Ir N3 O3 -","- C64 H47 B F24 Ir N3 O3 -","- C128 H94 B2 F48 Ir2 N6 O6 -","2","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.75","synchrotron","","0.0452","0.0419","","","0.1156","0.1173","","","","","","1.113","","","","has coordinates,has disorder","221161","2020-10-21","18:00:00",""
"4128023","18.3325","0.0005","9.5102","0.0003","20.9624","0.0005","90","","95.6799","0.0014","90","","3636.76","0.17","100","","99.92","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 B F4 N2 O Pd -","- C20 H15 B F4 N2 O Pd -","- C160 H120 B8 F32 N16 O8 Pd8 -","8","1","","Jaworski, Jonathan N.; Kozack, Caitlin V.; Tereniak, Stephen J.; Knapp, Spring Melody M.; Landis, Clark R.; Miller, Jeffrey T.; Stahl, Shannon S.","Operando Spectroscopic and Kinetic Characterization of Aerobic Allylic C-H Acetoxylation Catalyzed by Pd(OAc)<sub>2</sub>/4,5-Diazafluoren-9-one.","Journal of the American Chemical Society","2019","141","26","10462","10474","10.1021/jacs.9b04699","","","0.71073","MoKα","","0.0501","0.0442","","","0.103","0.1058","","","","","","1.2","","","","has coordinates,has disorder","221162","2020-10-21","18:00:00",""
"4128024","9.804","0.003","13.105","0.003","16.366","0.005","90","","90","","90","","2102.7","1","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O4 Pd2 -","- C22 H24 O4 Pd2 -","- C88 H96 O16 Pd8 -","4","1","","Jaworski, Jonathan N.; Kozack, Caitlin V.; Tereniak, Stephen J.; Knapp, Spring Melody M.; Landis, Clark R.; Miller, Jeffrey T.; Stahl, Shannon S.","Operando Spectroscopic and Kinetic Characterization of Aerobic Allylic C-H Acetoxylation Catalyzed by Pd(OAc)<sub>2</sub>/4,5-Diazafluoren-9-one.","Journal of the American Chemical Society","2019","141","26","10462","10474","10.1021/jacs.9b04699","","x-ray","0.71073","MoKα","","0.0307","0.027","","","0.0636","0.0646","","","","","","1.036","","","","has coordinates,has disorder","221162","2020-10-21","18:00:00",""
"4128025","8.21746","0.00018","24.3054","0.0005","7.85743","0.00016","90","","107.053","0.002","90","","1500.36","0.06","123","","123","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 -","- C46 H34 -","- C92 H68 -","2","0.5","","Konishi, Akihito; Horii, Koki; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto","Open-Shell and Antiaromatic Character Induced by the Highly Symmetric Geometry of the Planar Heptalene Structure: Synthesis and Characterization of a Nonalternant Isomer of Bisanthene.","Journal of the American Chemical Society","2019","141","26","10165","10170","10.1021/jacs.9b04080","","","1.54187","CuKα","","0.0466","0.043","","","0.1055","0.1082","","","","","","1.039","","","","has coordinates","221163","2020-10-21","18:00:00",""
"4128026","28.2664","0.0009","8.0077","0.0002","18.2814","0.0005","90","","90.756","0.003","90","","4137.6","0.2","123","","123","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C52 H46 B2 F8 -","- C52 H46 B2 F8 -","- C208 H184 B8 F32 -","4","0.5","","Konishi, Akihito; Horii, Koki; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto","Open-Shell and Antiaromatic Character Induced by the Highly Symmetric Geometry of the Planar Heptalene Structure: Synthesis and Characterization of a Nonalternant Isomer of Bisanthene.","Journal of the American Chemical Society","2019","141","26","10165","10170","10.1021/jacs.9b04080","","","0.71075","MoKα","","0.0883","0.0667","","","0.1654","0.1788","","","","","","1.044","","","","has coordinates","221164","2020-10-21","18:00:00",""
"4128027","8.3096","0.0002","13.4671","0.0005","13.8293","0.0004","93.309","0.003","91.851","0.002","91.515","0.002","1543.58","0.08","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H36 O2 -","- C46 H36 O2 -","- C92 H72 O4 -","2","1","","Konishi, Akihito; Horii, Koki; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto","Open-Shell and Antiaromatic Character Induced by the Highly Symmetric Geometry of the Planar Heptalene Structure: Synthesis and Characterization of a Nonalternant Isomer of Bisanthene.","Journal of the American Chemical Society","2019","141","26","10165","10170","10.1021/jacs.9b04080","","","1.54187","CuKα","","0.0503","0.0458","","","0.1239","0.1284","","","","","","1.058","","","","has coordinates","221165","2020-10-21","18:00:00",""
"4128028","9.4519","0.0002","16.7889","0.0003","16.9365","0.0003","90","","101.674","0.0007","90","","2632","0.09","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 B N3 O8 -","- C29 H30 B N3 O8 -","- C116 H120 B4 N12 O32 -","4","1","","Dennis, David G.; Okumura, Mikiko; Sarlah, David","Synthesis of (±)-Idarubicinone via Global Functionalization of Tetracene.","Journal of the American Chemical Society","2019","141","26","10193","10198","10.1021/jacs.9b05370","","x-ray","1.54178","CuKα","","0.0489","0.0359","","","0.0773","0.0831","","","","","","1.033","","","","has coordinates,has disorder","221166","2020-10-21","18:00:00",""
"4128029","15.5798","0.0003","13.7634","0.0002","17.7218","0.0003","90","","100.257","0.001","90","","3739.37","0.11","100","","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 B N3 O4 -","- C19 H24 B N3 O4 -","- C152 H192 B8 N24 O32 -","8","2","","Dennis, David G.; Okumura, Mikiko; Sarlah, David","Synthesis of (±)-Idarubicinone via Global Functionalization of Tetracene.","Journal of the American Chemical Society","2019","141","26","10193","10198","10.1021/jacs.9b05370","","x-ray","0.71073","MoKα","","0.0441","0.0361","","","0.0937","0.1032","","","","","","1.066","","","","has coordinates,has disorder","221167","2020-10-21","18:00:00",""
"4128030","4.5946","0.0004","4.5946","0.0004","8.0512","0.001","90","","90","","90","","169.96","0.03","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Hg Li O4 P -","- Hg Li O4 P -","- Hg2 Li2 O8 P2 -","2","0.25","","Wu, Bao-Lin; Hu, Chun-Li; Mao, Fei-Fei; Tang, Ru-Ling; Mao, Jiang-Gao","Highly Polarizable Hg<sup>2+</sup> Induced a Strong Second Harmonic Generation Signal and Large Birefringence in LiHgPO<sub>4</sub>.","Journal of the American Chemical Society","2019","141","26","10188","10192","10.1021/jacs.9b05125","","","0.71073","MoKα","","0.0337","0.029","","","0.0522","0.0576","","","","","","1.014","","","","has coordinates","221168","2020-10-21","18:00:00",""
"4128031","14.819","0.003","35.924","0.003","45.003","0.002","90","","90","","90","","23958","5","100","10","100","10","","","","","","","","4","F m m m","-F 2 2","69","","","","- C56 H30 O16 Zr3 -","- C56 H30 O16 Zr3 -","- C448 H240 O128 Zr24 -","8","0.25","","Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai","Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10283","10293","10.1021/jacs.9b02947","","","1.54184","CuKα","","0.1513","0.0766","","","0.2052","0.2531","","","","","","0.754","","","","has coordinates","221169","2020-10-21","18:00:00",""
"4128032","50.5058","0.0008","50.5058","0.0008","14.8247","0.0006","90","","90","","120","","32749.1","1.5","293","2","293","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C56 H30 O16 Zr3 -","- C56 H30 O16 Zr3 -","- C336 H180 O96 Zr18 -","6","0.25","","Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai","Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10283","10293","10.1021/jacs.9b02947","","x-ray","1.54184","CuKα","","0.0692","0.0541","","","0.1522","0.1635","","","","","","0.956","","","","has coordinates","221169","2020-10-21","18:00:00",""
"4128033","23.0014","0.0004","23.0014","0.0004","18.5185","0.0005","90","","90","","120","","8484.9","0.3","100","2","100","2","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- C168 H90 O24 Zr9 -","- C168 H90 O24 Zr9 -","- C168 H90 O24 Zr9 -","1","0.0833333","","Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai","Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10283","10293","10.1021/jacs.9b02947","","","1.54178","CuKα","","0.1621","0.1346","","","0.3079","0.3414","","","","","","0.994","","","","has coordinates","221169","2020-10-21","18:00:00",""
"4128034","22.3176","0.0005","22.3176","0.0005","38.8607","0.0008","90","","90","","90","","19355.6","0.7","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C62 H24 O16 Zr3 -","- C62 H24 O16 Zr3 -","- C248 H96 O64 Zr12 -","4","0.25","","Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai","Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10283","10293","10.1021/jacs.9b02947","","x-ray","1.54184","CuKα","","0.1153","0.0512","","","0.1417","0.1649","","","","","","0.794","","","","has coordinates","221169","2020-10-21","18:00:00",""
"4128035","19.721","0.005","31.9499","0.0015","34.865","0.0015","90","","90","","90","","21968","6","99.97","0.14","99.97","0.14","","","","","","","","4","F m m m","-F 2 2","69","","","","- C40 H22 O16 Zr3 -","- C40 H22 O16 Zr3 -","- C320 H176 O128 Zr24 -","8","0.25","","Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai","Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10283","10293","10.1021/jacs.9b02947","","x-ray","0.71","MoKα","","0.141","0.1076","","","0.2795","0.3029","","","","","","0.938","","","","has coordinates","221169","2020-10-21","18:00:00",""
"4128036","21.1397","0.0009","32.4825","0.0008","33.8974","0.0009","90","","90","","90","","23276.3","1.3","100","0.1","100","0.1","","","","","","","","4","F m m m","-F 2 2","69","","","","- C184 H136 O64 Zr12 -","- C184 H136 O64 Zr12 -","- C368 H272 O128 Zr24 -","2","0.0625","","Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai","Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10283","10293","10.1021/jacs.9b02947","","x-ray","1.54184","CuKα","","0.0726","0.0654","","","0.1664","0.1716","","","","","","0.965","","","","has coordinates,has disorder","221169","2020-10-21","18:00:00",""
"4128037","35.725","0.002","35.725","0.002","15.2666","0.0008","90","","90","","90","","19484.4","1.8","30","2","30","2","","","","","","","","10","P 4/m m m","-P 4 2","123","","","","- C101 H174 Au2 Cl3 Cu6 N20 Ni4 O77.5 Pd2 S -","- C81 H60 Au2 Cu6 N20 Ni4 O50 Pd2 S -","- C324 H240 Au8 Cu24 N80 Ni16 O200 Pd8 S4 -","4","0.25","","Adam, Rosa; Mon, Marta; Greco, Rossella; Kalinke, Lucas H. G.; Vidal-Moya, Alejandro; Fernandez, Antonio; Winpenny, Richard E. P.; Doménech-Carbó, Antonio; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio; Ferrando-Soria, Jesús","Self-Assembly of Catalytically Active Supramolecular Coordination Compounds within Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10350","10360","10.1021/jacs.9b03914","","","0.6889","Synchrotron","","0.4234","0.3098","","","0.6579","0.6865","","","","","","1.911","","","","has coordinates","221170","2020-10-21","18:00:00",""
"4128038","35.258","0.01","35.258","0.01","15.119","0.004","90","","90","","90","","18795","9","90","2","90","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C80.75 H139.75 Cu6 N15.25 Ni4 O70.75 Pd2 -","- C88.5 Cu6 N16 Ni4 O53 Pd2 -","- C354 Cu24 N64 Ni16 O212 Pd8 -","4","0.25","","Adam, Rosa; Mon, Marta; Greco, Rossella; Kalinke, Lucas H. G.; Vidal-Moya, Alejandro; Fernandez, Antonio; Winpenny, Richard E. P.; Doménech-Carbó, Antonio; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio; Ferrando-Soria, Jesús","Self-Assembly of Catalytically Active Supramolecular Coordination Compounds within Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10350","10360","10.1021/jacs.9b03914","","","0.71073","MoKα","","0.2052","0.1275","","","0.3501","0.3816","","","","","","1.158","","","","has coordinates","221171","2020-10-21","18:00:00",""
"4128039","35.7158","0.0002","35.7158","0.0002","15.1495","0.0001","90","","90","","90","","19325","0.2","30","2","30","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C84 H163 Cu6 N16 Ni4 O81 Pd2 -","- C84 H62 Cu6 N16 Ni4 O58 Pd2 -","- C336 H248 Cu24 N64 Ni16 O232 Pd8 -","4","0.25","","Adam, Rosa; Mon, Marta; Greco, Rossella; Kalinke, Lucas H. G.; Vidal-Moya, Alejandro; Fernandez, Antonio; Winpenny, Richard E. P.; Doménech-Carbó, Antonio; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio; Ferrando-Soria, Jesús","Self-Assembly of Catalytically Active Supramolecular Coordination Compounds within Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10350","10360","10.1021/jacs.9b03914","","","0.6889","Synchrotron","","0.2909","0.1256","","","0.4038","0.4428","","","","","","1.036","","","","has coordinates","221172","2020-10-21","18:00:00",""
"4128040","18.4103","0.0012","23.0536","0.0015","15.5199","0.001","90","","103.463","0.002","90","","6406","0.7","100","2","100.03","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H79 B4 Cu3 F16 N15 O3.25 -","- C46 H79 B4 Cu3 F16 N15 O3.25 -","- C184 H316 B16 Cu12 F64 N60 O13 -","4","1","","Yang, Luming; He, Xin; Dincă, Mircea","Triphenylene-Bridged Trinuclear Complexes of Cu: Models for Spin Interactions in Two-Dimensional Electrically Conductive Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10475","10480","10.1021/jacs.9b04822","","","0.71073","MoKα","","0.1023","0.0839","","","0.2508","0.2646","","","","","","1.034","","","","has coordinates,has disorder","221173","2020-10-21","18:00:00",""
"4128041","16.8057","0.0012","17.2937","0.0011","24.2896","0.0015","83.698","0.002","80.855","0.002","68.665","0.002","6481.6","0.7","100","2","99.99","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H71 B3 Cl Cu3 F12 N9 O6 -","- C46 H71 B3 Cl Cu3 F12 N9 O6 -","- C184 H284 B12 Cl4 Cu12 F48 N36 O24 -","4","2","","Yang, Luming; He, Xin; Dincă, Mircea","Triphenylene-Bridged Trinuclear Complexes of Cu: Models for Spin Interactions in Two-Dimensional Electrically Conductive Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10475","10480","10.1021/jacs.9b04822","","","0.71073","MoKα","","0.0743","0.0592","","","0.1646","0.1783","","","","","","1.027","","","","has coordinates,has disorder","221174","2020-10-21","18:00:00",""
"4128042","20.7185","0.0005","9.3045","0.0001","12.4912","0.0003","90","","133.858","0.004","90","","1736.31","0.13","93.15","","93.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 F N O2 -","- C10 H10 F N O2 -","- C80 H80 F8 N8 O16 -","8","1","","Yu, Jin-Sheng; Espinosa, Miguel; Noda, Hidetoshi; Shibasaki, Masakatsu","Traceless Electrophilic Amination for the Synthesis of Unprotected Cyclic β-Amino Acids.","Journal of the American Chemical Society","2019","141","26","10530","10537","10.1021/jacs.9b05476","","x-ray","1.54184","CuKα","","0.0371","0.036","","","0.0934","0.0943","","","","","","1.049","","","","has coordinates","221175","2020-10-21","18:00:00",""
"4128043","9.2478","0.0002","11.722","0.0002","28.7901","0.0005","93.79","0.001","95.306","0.001","91.105","0.001","3099.74","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H79 Cl N6 Ni O2 -","- C76 H79 Cl N6 Ni O2 -","- C152 H158 Cl2 N12 Ni2 O4 -","2","1","","Carvalho, Mary-Ambre; Dekkiche, Hervé; Nagasaki, Mayumi; Kikkawa, Yoshihiro; Ruppert, Romain","Coordination-Driven Construction of Porphyrin Nanoribbons at a Highly Oriented Pyrolytic Graphite (HOPG)/Liquid Interface.","Journal of the American Chemical Society","2019","141","26","10137","10141","10.1021/jacs.9b02145","","","1.54178","CuKα","","0.0872","0.0686","","","0.18","0.1927","","","","","","1.043","","","","has coordinates","221176","2020-10-21","18:00:00",""
"4128044","9.7265","0.0006","10.2667","0.0006","9.8174","0.0006","90","","102.588","0.002","90","","956.79","0.1","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H20 I N3 O5 S -","- C17 H20 I N3 O5 S -","- C34 H40 I2 N6 O10 S2 -","2","1","","Trost, Barry M.; Xu, Shiyan; Sharif, Ehesan U.","New Catalytic Asymmetric Formation of Oxygen Heterocycles Bearing Nucleoside Bases at the Anomeric Carbon.","Journal of the American Chemical Society","2019","141","26","10199","10204","10.1021/jacs.9b06050","","","0.71073","MoKα","","0.023","0.0219","","","0.0527","0.0534","","","","","","1.035","","","","has coordinates","221177","2020-10-21","18:00:00",""
"4128045","21.246","0.0004","21.246","0.0004","58.2102","0.0012","90","","90","","120","","22755.4","0.8","93","2","93.15","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C170.68 H116.03 Ce0.5 Co4 N36 O17.67 Zn3 -","- C170.676 H116.028 Ce0.5 Co4 N36 O17.676 Zn3 -","- C682.704 H464.112 Ce2 Co16 N144 O70.704 Zn12 -","4","0.333333","","Ube, Hitoshi; Endo, Kenichi; Sato, Hiroyasu; Shionoya, Mitsuhiko","Synthesis of Hetero-multinuclear Metal Complexes by Site-Selective Redox Switching and Transmetalation on a Homo-multinuclear Complex.","Journal of the American Chemical Society","2019","141","26","10384","10389","10.1021/jacs.9b04123","","","1.54184","CuKα","","0.1272","0.0994","","","0.2993","0.323","","","","","","1.147","","","","has coordinates,has disorder","221178","2020-10-21","18:00:00",""
"4128046","7.8714","0.001","19.446","0.002","9.6231","0.0012","90","","113.622","0.001","90","","1349.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N6 -","- C16 H14 N6 -","- C64 H56 N24 -","4","1","","Vailonis, Kristina M.; Gnanasekaran, Karthikeyan; Powers, Xian B.; Gianneschi, Nathan C.; Jenkins, David M.","Elucidating the Growth of Metal-Organic Nanotubes Combining Isoreticular Synthesis with Liquid-Cell Transmission Electron Microscopy.","Journal of the American Chemical Society","2019","141","26","10177","10182","10.1021/jacs.9b04586","","","0.71073","MoKα","","0.0483","0.0379","","","0.0944","0.1027","","","","","","1.052","","","","has coordinates","221179","2020-10-21","18:00:00",""
"4128047","22.374","0.003","6.9783","0.0008","13.2425","0.0015","90","","90","","90","","2067.6","0.4","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H6 Br Cu N3 -","- C8 H6 Br Cu N3 -","- C64 H48 Br8 Cu8 N24 -","8","0.5","","Vailonis, Kristina M.; Gnanasekaran, Karthikeyan; Powers, Xian B.; Gianneschi, Nathan C.; Jenkins, David M.","Elucidating the Growth of Metal-Organic Nanotubes Combining Isoreticular Synthesis with Liquid-Cell Transmission Electron Microscopy.","Journal of the American Chemical Society","2019","141","26","10177","10182","10.1021/jacs.9b04586","","","0.7288","synchrotron","","0.0839","0.0713","","","0.2193","0.236","","","","","","1.135","","","","has coordinates","221180","2020-10-21","18:00:00",""
"4128048","14.8961","0.0004","12.6957","0.0005","18.6653","0.0008","90","","90","","90","","3529.9","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H16 N2 -","- C27 H16 N2 -","- C216 H128 N16 -","8","1","","Yen-Pon, Expédite; Champagne, Pier Alexandre; Plougastel, Lucie; Gabillet, Sandra; Thuéry, Pierre; Johnson, Mizuki; Muller, Gilles; Pieters, Grégory; Taran, Frédéric; Houk, K. N.; Audisio, Davide","Sydnone-Based Approach to Heterohelicenes through 1,3-Dipolar-Cycloadditions.","Journal of the American Chemical Society","2019","141","4","1435","1440","10.1021/jacs.8b11465","","","0.71073","MoKα","","0.0568","0.0431","","","0.0978","0.1029","","","","","","1.118","","","","has coordinates,has disorder","221181","2020-10-21","18:00:00",""
"4128049","16.6965","0.0011","5.8107","0.0004","18.3992","0.0013","90","","104.082","0.004","90","","1731.4","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H16 N2 -","- C27 H16 N2 -","- C108 H64 N8 -","4","1","","Yen-Pon, Expédite; Champagne, Pier Alexandre; Plougastel, Lucie; Gabillet, Sandra; Thuéry, Pierre; Johnson, Mizuki; Muller, Gilles; Pieters, Grégory; Taran, Frédéric; Houk, K. N.; Audisio, Davide","Sydnone-Based Approach to Heterohelicenes through 1,3-Dipolar-Cycloadditions.","Journal of the American Chemical Society","2019","141","4","1435","1440","10.1021/jacs.8b11465","","","0.71073","MoKα","","0.0793","0.0464","","","0.1025","0.1146","","","","","","1.02","","","","has coordinates","221181","2020-10-21","18:00:00",""
"4128050","4.9489","0.0002","12.6503","0.0004","23.4534","0.0008","90","","90","","90","","1468.3","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H14 N2 -","- C21 H14 N2 -","- C84 H56 N8 -","4","1","","Yen-Pon, Expédite; Champagne, Pier Alexandre; Plougastel, Lucie; Gabillet, Sandra; Thuéry, Pierre; Johnson, Mizuki; Muller, Gilles; Pieters, Grégory; Taran, Frédéric; Houk, K. N.; Audisio, Davide","Sydnone-Based Approach to Heterohelicenes through 1,3-Dipolar-Cycloadditions.","Journal of the American Chemical Society","2019","141","4","1435","1440","10.1021/jacs.8b11465","","","0.71073","MoKα","","0.0433","0.0362","","","0.0934","0.0969","","","","","","1.064","","","","has coordinates,has disorder","221181","2020-10-21","18:00:00",""
"4128051","13.2803","0.0005","19.4633","0.0008","19.2148","0.0008","90","","97.5485","0.0014","90","","4923.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H59 F6 K N4 Ni O8 -","- C41 H59 F6 K N4 Ni O8 -","- C164 H236 F24 K4 N16 Ni4 O32 -","4","1","","Kundu, Subrata; Phu, Phan N.; Ghosh, Pokhraj; Kozimor, Stosh A.; Bertke, Jeffery A.; Stieber, S Chantal E; Warren, Timothy H.","Nitrosyl Linkage Isomers: NO Coupling to N<sub>2</sub>O at a Mononuclear Site.","Journal of the American Chemical Society","2019","141","4","1415","1419","10.1021/jacs.8b09769","","","0.71073","MoKα","","0.0482","0.0345","","","0.0783","0.0841","","","","","","1.023","","","","has coordinates,has disorder","221182","2020-10-21","18:00:00",""
"4128052","12.6072","0.0011","24.653","0.003","21.555","0.002","90","","94.932","0.005","90","","6674.6","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H71 F6 K N5 Ni O7 -","- C47 H71 F6 K N5 Ni O7 -","- C188 H284 F24 K4 N20 Ni4 O28 -","4","1","","Kundu, Subrata; Phu, Phan N.; Ghosh, Pokhraj; Kozimor, Stosh A.; Bertke, Jeffery A.; Stieber, S Chantal E; Warren, Timothy H.","Nitrosyl Linkage Isomers: NO Coupling to N<sub>2</sub>O at a Mononuclear Site.","Journal of the American Chemical Society","2019","141","4","1415","1419","10.1021/jacs.8b09769","","","0.71073","MoKα","","0.0488","0.0361","","","0.0826","0.09","","","","","","1.036","","","","has coordinates,has disorder","221183","2020-10-21","18:00:00",""
"4128053","18.0758","0.0008","13.725","0.0006","20.4222","0.0009","90","","90.014","0.003","90","","5066.6","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C45 H67 F6 K N3 Ni O8 -","- C45 H67 F6 K N3 Ni O8 -","- C180 H268 F24 K4 N12 Ni4 O32 -","4","2","","Kundu, Subrata; Phu, Phan N.; Ghosh, Pokhraj; Kozimor, Stosh A.; Bertke, Jeffery A.; Stieber, S Chantal E; Warren, Timothy H.","Nitrosyl Linkage Isomers: NO Coupling to N<sub>2</sub>O at a Mononuclear Site.","Journal of the American Chemical Society","2019","141","4","1415","1419","10.1021/jacs.8b09769","","","0.71073","MoKα","","0.0709","0.0481","","","0.1006","0.1088","","","","","","1.017","","","","has coordinates,has disorder","221184","2020-10-21","18:00:00",""
"4128054","10.5729","0.0008","38.111","0.003","13.4355","0.0009","90","","104.692","0.002","90","","5236.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[iPr2NNF6]NiO2N2-K[2.2.2-Kryptofix]","","- C47 H71 F6 K N6 Ni O8 -","- C47 H71 F6 K N6 Ni O8 -","- C188 H284 F24 K4 N24 Ni4 O32 -","4","1","","Kundu, Subrata; Phu, Phan N.; Ghosh, Pokhraj; Kozimor, Stosh A.; Bertke, Jeffery A.; Stieber, S Chantal E; Warren, Timothy H.","Nitrosyl Linkage Isomers: NO Coupling to N<sub>2</sub>O at a Mononuclear Site.","Journal of the American Chemical Society","2019","141","4","1415","1419","10.1021/jacs.8b09769","","","0.71073","MoKα","","0.0962","0.0502","","","0.0886","0.0968","","","","","","1.039","","","","has coordinates","221185","2020-10-21","18:00:00",""
"4128055","11.6731","0.001","13.2679","0.0011","20.9329","0.0018","82.644","0.001","76.384","0.001","65.613","0.001","2868","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","{[iPr2NNF6]NiOH}2","","- C58 H72 F12 N4 Ni2 O2 -","- C58 H71.548 F12 N4 Ni2 O2 -","- C116 H143.096 F24 N8 Ni4 O4 -","2","1","","Kundu, Subrata; Phu, Phan N.; Ghosh, Pokhraj; Kozimor, Stosh A.; Bertke, Jeffery A.; Stieber, S Chantal E; Warren, Timothy H.","Nitrosyl Linkage Isomers: NO Coupling to N<sub>2</sub>O at a Mononuclear Site.","Journal of the American Chemical Society","2019","141","4","1415","1419","10.1021/jacs.8b09769","","","0.71073","MoKα","","0.0676","0.0442","","","0.0991","0.1089","","","","","","1.028","","","","has coordinates,has disorder","221186","2020-10-21","18:00:00",""
"4128056","13.5093","0.0009","16.6592","0.0011","13.9913","0.0009","90","","109.349","0.001","90","","2970.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[iPr2NNF6]NiNO","","- C29 H35 F6 N3 Ni O -","- C29 H35 F6 N3 Ni O -","- C116 H140 F24 N12 Ni4 O4 -","4","1","","Kundu, Subrata; Phu, Phan N.; Ghosh, Pokhraj; Kozimor, Stosh A.; Bertke, Jeffery A.; Stieber, S Chantal E; Warren, Timothy H.","Nitrosyl Linkage Isomers: NO Coupling to N<sub>2</sub>O at a Mononuclear Site.","Journal of the American Chemical Society","2019","141","4","1415","1419","10.1021/jacs.8b09769","","","0.71073","MoKα","","0.036","0.0283","","","0.0696","0.0734","","","","","","1.043","","","","has coordinates","221187","2020-10-21","18:00:00",""
"4128057","5.6684","0.0002","15.2524","0.0003","10.6654","0.0003","90","","92.016","0.003","90","","921.52","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 O2 S -","- C22 H22 O2 S -","- C44 H44 O4 S2 -","2","1","","Yan, Qiaozhi; Xiao, Guiying; Wang, Ying; Zi, Guofu; Zhang, Zhanbin; Hou, Guohua","Highly Efficient Enantioselective Synthesis of Chiral Sulfones by Rh-Catalyzed Asymmetric Hydrogenation.","Journal of the American Chemical Society","2019","141","4","1749","1756","10.1021/jacs.8b12657","","x-ray","1.54184","CuKα","","0.0372","0.0346","","","0.0849","0.0868","","","","","","1.037","","","","has coordinates","221188","2020-10-21","18:00:00",""
"4128058","21.2499","0.0007","21.2499","0.0007","15.2397","0.0006","90","","90","","120","","5959.7","0.4","250","","250","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.07 Co0.5 F6 Mn0.43 O4 -","- C17 H8 Ca0.065 Co0.5 F6 Mn0.435 O4 -","- C204 H96 Ca0.78 Co6 F72 Mn5.22 O48 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0795","0.0605","","","0.1502","0.1618","","","","","","1.003","","","","has coordinates,has disorder","221189","2020-10-21","18:00:00",""
"4128059","21.25","0.002","21.25","0.002","15.3379","0.0018","90","","90","","120","","5998.1","1.1","250","","250","","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.21 Co0.27 F6 Mn0.29 O4.33 Zn0.23 -","- C17 H8 Ca0.205 Co0.27 F6 Mn0.295 O4.25 Zn0.23 -","- C204 H96 Ca2.46 Co3.24 F72 Mn3.54 O51 Zn2.76 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.1067","0.0635","","","0.1555","0.1818","","","","","","0.975","","","","has coordinates,has disorder","221190","2020-10-21","18:00:00",""
"4128060","21.2761","0.0012","21.2761","0.0012","15.1699","0.001","90","","90","","120","","5947","0.6","273","2","273.15","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Co0.1 F6 Mn0.5 O4.15 Zn0.4 -","- C17 H8 Co0.0995 F6 Mn0.5 O4.15 Zn0.4005 -","- C204 H96 Co1.194 F72 Mn6 O49.8 Zn4.806 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0322","0.0307","","","0.0918","0.0928","","","","","","1.168","","","","has coordinates,has disorder","221191","2020-10-21","18:00:00",""
"4128061","21.2639","0.0012","21.2639","0.0012","15.1083","0.0012","90","","90","","120","","5916.1","0.7","250","","250","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H0.08 Co0.48 F6 Mn0.35 O4 Zn0.17 -","- C17 H8 Co0.49 F6 Mn0.415 O4.25 Zn0.18 -","- C204 H96 Co5.88 F72 Mn4.98 O51 Zn2.16 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0791","0.0615","","","0.1574","0.1661","","","","","","1.053","","","","has coordinates,has disorder","221192","2020-10-21","18:00:00",""
"4128062","21.2824","0.0018","21.2824","0.0018","15.321","0.0014","90","","90","","120","","6009.8","0.9","296","2","296.15","","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.21 Co0.12 F6 Mn0.29 O4 Zn0.38 -","- C17 H8 Ca0.215 Co0.115 F6 Mn0.285 O4 Zn0.385 -","- C204 H96 Ca2.58 Co1.38 F72 Mn3.42 O48 Zn4.62 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.1396","0.1315","","","0.306","0.3335","","","","","","1.655","","","","has coordinates,has disorder","221193","2020-10-21","18:00:00",""
"4128063","21.2423","0.0006","21.2423","0.0006","15.1282","0.0006","90","","90","","120","","5911.8","0.3","296","2","296.15","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Co0.36 F6 Mn0.49 O4.17 Zn0.14 -","- C17 H8 Co0.3625 F6 Mn0.4945 O4.16665 Zn0.1375 -","- C204 H96 Co4.35 F72 Mn5.934 O49.9998 Zn1.65 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0438","0.0394","","","0.1138","0.1173","","","","","","0.942","","","","has coordinates,has disorder","221194","2020-10-21","18:00:00",""
"4128064","21.2819","0.0009","21.2819","0.0009","15.1237","0.0008","90","","90","","120","","5932.1","0.5","250","","250","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H0.08 Co0.44 F6 Mn0.43 O4 Zn0.13 -","- C17 H8 Co0.371 F6 Mn0.5 O4.25 Zn0.129 -","- C204 H96 Co4.452 F72 Mn6 O51 Zn1.548 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0647","0.0535","","","0.1399","0.1488","","","","","","1.056","","","","has coordinates,has disorder","221195","2020-10-21","18:00:00",""
"4128065","21.2232","0.0006","21.2232","0.0006","15.1771","0.0006","90","","90","","120","","5920.3","0.3","250","","250","","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.04 Co0.06 F6 Mn0.46 O4.5 Zn0.44 -","- C17 H8 Ca0.04 Co0.06 F6 Mn0.46 O4.5 Zn0.44 -","- C204 H96 Ca0.48 Co0.72 F72 Mn5.52 O54 Zn5.28 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0706","0.0589","","","0.1717","0.195","","","","","","1.064","","","","has coordinates,has disorder","221196","2020-10-21","18:00:00",""
"4128066","21.2716","0.0012","21.2716","0.0012","15.1756","0.0011","90","","90","","120","","5946.7","0.6","250","","250","","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.07 Co0.27 F6 Mn0.43 O4.38 Zn0.23 -","- C17 H8 Ca0.065 Co0.27 F6 Mn0.435 O4.375 Zn0.23 -","- C204 H96 Ca0.78 Co3.24 F72 Mn5.22 O52.5 Zn2.76 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.085","0.0774","","","0.2006","0.2064","","","","","","1.618","","","","has coordinates,has disorder","221197","2020-10-21","18:00:00",""
"4128067","21.2398","0.0007","21.2398","0.0007","15.1793","0.0009","90","","90","","120","","5930.4","0.4","250","","250","","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.08 Co0.14 F6 Mn0.5 O4.25 Zn0.36 -","- C17 H8 Ca0.2 Co0.155 F6 Mn0.4 O4.25 Zn0.345 -","- C204 H96 Ca2.4 Co1.86 F72 Mn4.8 O51 Zn4.14 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0807","0.0676","","","0.1733","0.1841","","","","","","1.185","","","","has coordinates,has disorder","221198","2020-10-21","18:00:00",""
"4128068","12.3345","0.0006","8.4335","0.0004","9.7578","0.0005","90","","90","","90","","1015.04","0.09","93","2","93","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H14 Cl N O4 -","- C8 H14 Cl N O4 -","- C32 H56 Cl4 N4 O16 -","4","0.5","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.0491","0.0418","","","0.1161","0.1228","","","","","","1.065","","","","has coordinates","221199","2020-10-21","18:00:00",""
"4128069","5.1525","0.0013","5.1525","0.0013","5.1525","0.0013","90","","90","","90","","136.79","0.06","473","2","473","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C10.51 Cl O4 -","- C10.506 Cl O3.9996 -","- C10.506 Cl O3.9996 -","1","0.0208333","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.538","0.4611","","","0.7753","0.8084","","","","","","1.017","","","","has coordinates","221200","2020-10-21","18:00:00",""
"4128070","12.6094","0.0006","9.4862","0.0005","8.0894","0.0003","90","","90","","90","","967.62","0.08","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H12 Cl N O5 -","- C7 H12 Cl N O4.9999 -","- C28 H48 Cl4 N4 O19.9996 -","4","1","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.1099","0.1074","","","0.2924","0.2953","","","","","","1.083","","","","has coordinates","221201","2020-10-21","18:00:00",""
"4128071","6.2261","0.0015","6.2261","0.0015","6.2261","0.0015","90","","90","","90","","241.35","0.1","298","2","298","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C7 H14 Cl N O4 -","- C9.342 Cl O3.9996 -","- C9.342 Cl O3.9996 -","1","0.0208333","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.2098","0.1693","","","0.3274","0.3513","","","","","","1.067","","","","has coordinates","221202","2020-10-21","18:00:00",""
"4128072","7.9042","0.0006","10.9593","0.0008","11.5892","0.001","90","","96.337","0.008","90","","997.77","0.14","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 Cl N O4 -","- C8 H16 Cl N O4 -","- C32 H64 Cl4 N4 O16 -","4","1","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.1173","0.088","","","0.215","0.231","","","","","","1.052","","","","has coordinates","221203","2020-10-21","18:00:00",""
"4128073","6.1928","0.0007","6.1928","0.0007","6.1928","0.0007","90","","90","","90","","237.5","0.05","93","2","93","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C7 H14 Cl N O5 -","- C10.674 Cl O3.9996 -","- C10.674 Cl O3.9996 -","1","0.0208333","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.1335","0.0999","","","0.2386","0.2536","","","","","","1.02","","","","has coordinates","221204","2020-10-21","18:00:00",""
"4128074","11.4473","0.0007","8.1623","0.0006","11.6646","0.0007","90","","90","","90","","1089.9","0.12","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H16 Cl N O4 -","- C8 H16 Cl N O4 -","- C32 H64 Cl4 N4 O16 -","4","0.5","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.1297","0.1208","","","0.3244","0.3355","","","","","","1.011","","","","has coordinates,has disorder","221205","2020-10-21","18:00:00",""
"4128075","12.6355","0.0012","8.692","0.0007","9.6224","0.0007","90","","90","","90","","1056.81","0.15","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H14 Cl N O4 -","- C8 H14 Cl N O4 -","- C32 H56 Cl4 N4 O16 -","4","0.5","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.1442","0.127","","","0.3422","0.3541","","","","","","1.022","","","","has coordinates,has disorder","221206","2020-10-21","18:00:00",""
"4128076","6.3172","0.0004","6.3172","0.0004","6.3172","0.0004","90","","90","","90","","252.1","0.03","298","2","298","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C7 H14 Cl N O5 -","- C10.674 Cl O3.9996 -","- C10.674 Cl O3.9996 -","1","0.0208333","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.0971","0.0754","","","0.166","0.1792","","","","","","1.035","","","","has coordinates","221207","2020-10-21","18:00:00",""
"4128077","27.533","0.002","11.1178","0.0011","24.5325","0.0019","90","","113.72","0.002","90","","6875.2","1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H60 N12 O35 P6 Yb2 -","- C48 H60 N12 O35 P6 Yb2 -","- C192 H240 N48 O140 P24 Yb8 -","4","0.5","","Nonat, Aline; Bahamyirou, Sylvana; Lecointre, Alexandre; Przybilla, Frédéric; Mély, Yves; Platas-Iglesias, Carlos; Camerel, Franck; Jeannin, Olivier; Charbonnière, Loïc J","Molecular Upconversion in Water in Heteropolynuclear Supramolecular Tb/Yb Assemblies.","Journal of the American Chemical Society","2019","141","4","1568","1576","10.1021/jacs.8b10932","","x-ray","0.71073","MoKα","","0.0404","0.0323","","","0.0841","0.0885","","","","","","1.151","","","","has coordinates","221208","2020-10-21","18:00:00",""
"4128078","10.5812","0.0019","13.097","0.002","15.615","0.002","90","","90","","90","","2164","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 O S -","- C14 H10 O S -","- C112 H80 O8 S8 -","8","1","","Smith, Ronald A.; Fu, Guanyao; McAteer, Owen; Xu, Mizhi; Gutekunst, Will R.","Radical Approach to Thioester-Containing Polymers.","Journal of the American Chemical Society","2019","141","4","1446","1451","10.1021/jacs.8b12154","","","0.71073","MoKα","","0.0603","0.0439","","","0.117","0.1296","","","","","","1.05","","","","has coordinates","221209","2020-10-21","18:00:00",""
"4128079","5.9401","0.0001","10.656","0.0001","23.6934","0.0002","90","","90","","90","","1499.74","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O5 -","- C15 H21 N O5 -","- C60 H84 N4 O20 -","4","1","","Kang, Zhenghui; Wang, Yongheng; Zhang, Dan; Wu, Ruibo; Xu, Xinfang; Hu, Wenhao","Asymmetric Counter-Anion-Directed Aminomethylation: Synthesis of Chiral β-Amino Acids via Trapping of an Enol Intermediate.","Journal of the American Chemical Society","2019","141","4","1473","1478","10.1021/jacs.8b12832","","","1.54184","CuKα","","0.0321","0.0318","","","0.0858","0.086","","","","","","1.089","","","","has coordinates","221210","2020-10-21","18:00:00",""
"4128080","8.8042","0.0003","10.5315","0.0004","10.8818","0.0004","107.99","0.004","100.432","0.003","104.927","0.004","889.2","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 Ag O11 -","- C15 H17 Ag O11 -","- C30 H34 Ag2 O22 -","2","1","","Kang, Zhenghui; Wang, Yongheng; Zhang, Dan; Wu, Ruibo; Xu, Xinfang; Hu, Wenhao","Asymmetric Counter-Anion-Directed Aminomethylation: Synthesis of Chiral β-Amino Acids via Trapping of an Enol Intermediate.","Journal of the American Chemical Society","2019","141","4","1473","1478","10.1021/jacs.8b12832","","x-ray","1.54184","CuKα","","0.0735","0.0691","","","0.1793","0.1836","","","","","","1.015","","","","has coordinates","221211","2020-10-21","18:00:00",""
"4128081","9.6616","0.0001","11.6145","0.0001","11.4666","0.0001","90","","96.814","0.001","90","","1277.63","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H31 N O3 -","- C31 H31 N O3 -","- C62 H62 N2 O6 -","2","1","","Kang, Zhenghui; Wang, Yongheng; Zhang, Dan; Wu, Ruibo; Xu, Xinfang; Hu, Wenhao","Asymmetric Counter-Anion-Directed Aminomethylation: Synthesis of Chiral β-Amino Acids via Trapping of an Enol Intermediate.","Journal of the American Chemical Society","2019","141","4","1473","1478","10.1021/jacs.8b12832","","","1.54184","CuKα","","0.0274","0.0273","","","0.0712","0.0714","","","","","","1.033","","","","has coordinates","221212","2020-10-21","18:00:00",""
"4128082","12.1143","0.0009","25.5397","0.0019","12.3372","0.0009","90","","114.18","0.0012","90","","3482.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H55 Ni O P2 -","- C38 H55 Ni O P2 -","- C152 H220 Ni4 O4 P8 -","4","1","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0727","0.0544","","","0.1315","0.141","","","","","","1.045","","","","has coordinates","221213","2020-10-21","18:00:00",""
"4128083","12.0624","0.0011","21.708","0.002","16.2095","0.0015","90","","91.1201","0.0017","90","","4243.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H62 Br N Ni O P2 -","- C47 H62 Br N Ni O P2 -","- C188 H248 Br4 N4 Ni4 O4 P8 -","4","1","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0664","0.0452","","","0.1019","0.1116","","","","","","1.027","","","","has coordinates","221214","2020-10-21","18:00:00",""
"4128084","14.4842","0.0006","23.5098","0.001","13.0495","0.0006","90","","115.597","0.0007","90","","4007.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H59 Br Ni O1.35 P2 -","- C43 H59 Br Ni O1.346 P2 -","- C172 H236 Br4 Ni4 O5.384 P8 -","4","1","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0558","0.0385","","","0.0844","0.0911","","","","","","1.037","","","","has coordinates,has disorder","221215","2020-10-21","18:00:00",""
"4128085","11.1268","0.0006","24.4126","0.0014","16.2109","0.0009","90","","109.568","0.0009","90","","4149.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H64 F3 Ni O2 P2 -","- C43 H64 F3 Ni O2 P2 -","- C172 H256 F12 Ni4 O8 P8 -","4","1","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0493","0.0409","","","0.0996","0.1041","","","","","","1.025","","","","has coordinates,has disorder","221216","2020-10-21","18:00:00",""
"4128086","11.6198","0.0002","11.6198","0.0002","47.0073","0.001","90","","90","","120","","5496.59","0.18","100","2","100","2","","","","","","","","6","P 65","P 65","170","","","","- C38 H55 I Ni O P2 -","- C38 H55 I Ni O P2 -","- C228 H330 I6 Ni6 O6 P12 -","6","1","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0492","0.0433","","","0.0974","0.1019","","","","","","1.046","","","","has coordinates,has disorder","221217","2020-10-21","18:00:00",""
"4128087","11.1629","0.0009","16.8436","0.0013","17.3026","0.0013","90","","105.449","0.0013","90","","3135.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 Br Ni O P2 -","- C31 H48 Br Ni O P2 -","- C124 H192 Br4 Ni4 O4 P8 -","4","1","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0546","0.0394","","","0.0889","0.0947","","","","","","1.046","","","","has coordinates","221218","2020-10-21","18:00:00",""
"4128088","17.191","0.003","37.515","0.007","23.841","0.004","90","","109.287","0.002","90","","14513","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H108 N2 Ni2 O2 P4 -","- C67 H108 N2 Ni2 O2 P4 -","- C536 H864 N16 Ni16 O16 P32 -","8","2","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0701","0.0479","","","0.1122","0.1222","","","","","","1.019","","","","has coordinates,has disorder","221219","2020-10-21","18:00:00",""
"4128089","12.1524","0.0004","25.077","0.0009","12.2188","0.0004","90","","113.495","0.0005","90","","3414.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H53 Ni O P2 -","- C37 H53 Ni O P2 -","- C148 H212 Ni4 O4 P8 -","4","1","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0434","0.0347","","","0.085","0.0895","","","","","","1.027","","","","has coordinates","221220","2020-10-21","18:00:00",""
"4128090","11.1833","0.0011","12.89","0.0009","10.9328","0.0013","90","","117.046","0.013","90","","1403.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Br N2 O2 S -","- C14 H13 Br N2 O2 S -","- C56 H52 Br4 N8 O8 S4 -","4","1","","Liu, Binbin; Ning, Yongquan; Virelli, Matteo; Zanoni, Giuseppe; Anderson, Edward A.; Bi, Xihe","Direct Transformation of Terminal Alkynes into Amidines by a Silver-Catalyzed Four-Component Reaction.","Journal of the American Chemical Society","2019","141","4","1593","1598","10.1021/jacs.8b11039","","","0.71073","MoKα","","0.0974","0.0555","","","0.1142","0.1351","","","","","","1.036","","","","has coordinates","221221","2020-10-21","18:00:00",""
"4128091","21.025","0.004","24.479","0.005","25.666","0.005","66.64","0.03","70.61","0.03","71.93","0.03","11193","5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C177.45 H243.1 B66 N32.5 O11.35 Zn3 -","- C171.45 H232.9 B61.8 N32.5 O11.35 Zn3 -","- C342.9 H465.8 B123.6 N65 O22.7 Zn6 -","2","1","","Rizzuto, Felix J.; Pröhm, Patrick; Plajer, Alex J.; Greenfield, Jake L.; Nitschke, Jonathan R.","Hydrogen-Bond-Assisted Symmetry Breaking in a Network of Chiral Metal-Organic Assemblies.","Journal of the American Chemical Society","2019","141","4","1707","1715","10.1021/jacs.8b12323","","","0.6889","Synchrotron","","0.0993","0.0861","","","0.2801","0.2922","","","","","","1.082","","","","has coordinates,has disorder","221222","2020-10-21","18:00:00",""
"4128092","17.046","0.003","16.504","0.003","21.373","0.004","90","","91.51","0.03","90","","6010.7","1.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C110 H106 F12 N18 O22 S4 Zn2 -","- C110 H106 F12 N18 O22 S4 Zn2 -","- C220 H212 F24 N36 O44 S8 Zn4 -","2","0.5","","Rizzuto, Felix J.; Pröhm, Patrick; Plajer, Alex J.; Greenfield, Jake L.; Nitschke, Jonathan R.","Hydrogen-Bond-Assisted Symmetry Breaking in a Network of Chiral Metal-Organic Assemblies.","Journal of the American Chemical Society","2019","141","4","1707","1715","10.1021/jacs.8b12323","","","0.6889","Synchrotron","","0.0902","0.086","","","0.2493","0.256","","","","","","1.021","","","","has coordinates,has disorder","221223","2020-10-21","18:00:00",""
"4128093","22.3184","0.001","24.7127","0.001","25.3074","0.0011","107.577","0.002","104.677","0.002","111.113","0.002","11337.5","0.9","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C168.5 H156.5 B5.5 F16.5 N31 O25.75 S5.5 Zn3 -","- C165.75 H156.5 B6 F9.75 N31 O19 S3.25 Zn3 -","- C331.5 H313 B12 F19.5 N62 O38 S6.5 Zn6 -","2","1","","Rizzuto, Felix J.; Pröhm, Patrick; Plajer, Alex J.; Greenfield, Jake L.; Nitschke, Jonathan R.","Hydrogen-Bond-Assisted Symmetry Breaking in a Network of Chiral Metal-Organic Assemblies.","Journal of the American Chemical Society","2019","141","4","1707","1715","10.1021/jacs.8b12323","","","1.54178","CuKα","","0.1249","0.1055","","","0.2942","0.3115","","","","","","1.033","","","","has coordinates,has disorder","221224","2020-10-21","18:00:00",""
"4128094","24.9958","0.0011","35.3721","0.0014","22.2126","0.0007","90","","104.784","0.003","90","","18989.2","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C168 H161.5 B6 F24 N33.5 O10.5 Zn3 -","- C166 H158.5 B6 F24 N32.5 O10.5 Zn3 -","- C664 H634 B24 F96 N130 O42 Zn12 -","4","1","","Rizzuto, Felix J.; Pröhm, Patrick; Plajer, Alex J.; Greenfield, Jake L.; Nitschke, Jonathan R.","Hydrogen-Bond-Assisted Symmetry Breaking in a Network of Chiral Metal-Organic Assemblies.","Journal of the American Chemical Society","2019","141","4","1707","1715","10.1021/jacs.8b12323","","","0.6889","Synchrotron","","0.1353","0.113","","","0.32","0.3385","","","","","","1.045","","","","has coordinates,has disorder","221225","2020-10-21","18:00:00",""
"4128095","12.1326","0.0011","13.0622","0.001","15.0649","0.0011","90","","98.628","0.007","90","","2360.4","0.3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H39 N O3 -","- C28 H39 N O3 -","- C112 H156 N4 O12 -","4","1","","Kim, Daria E.; Zweig, Joshua E.; Newhouse, Timothy R.","Total Synthesis of Paspaline A and Emindole PB Enabled by Computational Augmentation of a Transform-Guided Retrosynthetic Strategy.","Journal of the American Chemical Society","2019","141","4","1479","1483","10.1021/jacs.8b13127","","","0.71073","MoKα","","0.0945","0.0641","","","0.1757","0.1859","","","","","","1.079","","","","has coordinates","221226","2020-10-21","18:00:00",""
"4128096","7.0924","0.0004","10.832","0.0005","11.3981","0.0006","68.891","0.004","74.979","0.004","85.849","0.004","788.77","0.08","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H28 O3 -","- C18 H28 O3 -","- C36 H56 O6 -","2","1","","Kim, Daria E.; Zweig, Joshua E.; Newhouse, Timothy R.","Total Synthesis of Paspaline A and Emindole PB Enabled by Computational Augmentation of a Transform-Guided Retrosynthetic Strategy.","Journal of the American Chemical Society","2019","141","4","1479","1483","10.1021/jacs.8b13127","","","0.71073","MoKα","","0.0528","0.048","","","0.1228","0.1285","","","","","","1.054","","","","has coordinates","221227","2020-10-21","18:00:00",""
"4128097","11.4162","0.0003","13.3892","0.0004","18.7283","0.0005","75.681","0.002","81.697","0.002","89.964","0.002","2742.85","0.13","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C28.5 H39 Cl N O2 -","- C28.5 H39 Cl N O2 -","- C114 H156 Cl4 N4 O8 -","4","4","","Kim, Daria E.; Zweig, Joshua E.; Newhouse, Timothy R.","Total Synthesis of Paspaline A and Emindole PB Enabled by Computational Augmentation of a Transform-Guided Retrosynthetic Strategy.","Journal of the American Chemical Society","2019","141","4","1479","1483","10.1021/jacs.8b13127","","","1.54184","CuKα","","0.0582","0.0568","","","0.1574","0.1592","","","","","","1.021","","","","has coordinates,has disorder","221228","2020-10-21","18:00:00",""
"4128098","6.6127","0.0005","8.2896","0.0005","24.1826","0.0016","90","","90","","90","","1325.61","0.16","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Br O4 -","- C14 H11 Br O4 -","- C56 H44 Br4 O16 -","4","1","","Trost, Barry M.; Gnanamani, Elumalai; Kalnmals, Christopher A.; Hung, Chao-I Joey; Tracy, Jacob S.","Direct Enantio- and Diastereoselective Vinylogous Addition of Butenolides to Chromones Catalyzed by Zn-ProPhenol.","Journal of the American Chemical Society","2019","141","4","1489","1493","10.1021/jacs.8b13367","","x-ray","0.71073","MoKα","","0.0325","0.0302","","","0.0617","0.0627","","","","","","1.168","","","","has coordinates","221229","2020-10-21","18:00:00",""
"4128099","29.8348","0.0004","29.8348","0.0004","29.8348","0.0004","90","","90","","90","","26556.4","0.6","153","","153","","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C209 H241 N2 O27 Zn8 -","- C209 H239.5 N2 O27 Zn8 -","- C627 H718.5 N6 O81 Zn24 -","3","0.125","","Zhou, Tian-You; Auer, Bernhard; Lee, Seok J.; Telfer, Shane G.","Catalysts Confined in Programmed Framework Pores Enable New Transformations and Tune Reaction Efficiency and Selectivity.","Journal of the American Chemical Society","2019","141","4","1577","1582","10.1021/jacs.8b11221","","","1.54178","CuKα","","0.1806","0.166","","","0.4414","0.4553","","","","","","1.776","","","","has coordinates,has disorder","221230","2020-10-21","18:00:00",""
"4128100","30.049","0.002","30.049","0.002","53.137","0.004","90","","90","","90","","47980","6","100","2","100","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C68 H77 Co2 N4 O6 -","- C68 H77 Co2 N4 O6 -","- C1088 H1232 Co32 N64 O96 -","16","1","","Li, Bao; Zhao, Yu-Meng; Kirchon, Angelo; Pang, Jian-Dong; Yang, Xin-Yu; Zhuang, Gui-Lin; Zhou, Hong-Cai","Unconventional Method for Fabricating Valence Tautomeric Materials: Integrating Redox Center within a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","17","6822","6826","10.1021/jacs.9b02375","","","1.54178","CuKα","","0.1487","0.0992","","","0.2509","0.2712","","","","","","0.963","","","","has coordinates","221232","2020-10-21","18:00:00",""
"4128101","30.63","0.002","30.63","0.002","53.381","0.004","90","","90","","90","","50082","6","200","2","200","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C68 H77 Co2 N4 O6 -","- C68 H77 Co2 N4 O6 -","- C1088 H1232 Co32 N64 O96 -","16","1","","Li, Bao; Zhao, Yu-Meng; Kirchon, Angelo; Pang, Jian-Dong; Yang, Xin-Yu; Zhuang, Gui-Lin; Zhou, Hong-Cai","Unconventional Method for Fabricating Valence Tautomeric Materials: Integrating Redox Center within a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","17","6822","6826","10.1021/jacs.9b02375","","","1.54178","CuKα","","0.2315","0.1107","","","0.2516","0.3051","","","","","","0.915","","","","has coordinates","221232","2020-10-21","18:00:00",""
"4128102","31.034","0.002","31.034","0.002","53.217","0.004","90","","90","","90","","51254","6","100","2","100","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C68 H77 Co2 N4 O6 -","- C68 H77 Co2 N4 O6 -","- C1088 H1232 Co32 N64 O96 -","16","1","","Li, Bao; Zhao, Yu-Meng; Kirchon, Angelo; Pang, Jian-Dong; Yang, Xin-Yu; Zhuang, Gui-Lin; Zhou, Hong-Cai","Unconventional Method for Fabricating Valence Tautomeric Materials: Integrating Redox Center within a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","17","6822","6826","10.1021/jacs.9b02375","","","1.54178","CuKα","","0.2233","0.1127","","","0.2529","0.3129","","","","","","0.841","","","","has coordinates","221232","2020-10-21","18:00:00",""
"4128103","20.049","0.0006","5.46156","0.00014","25.6163","0.0008","90","","107.386","0.003","90","","2676.81","0.14","100.2","0.4","100.2","0.4","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","1","","Phipps, Erik J. T.; Rovis, Tomislav","Rh(III)-Catalyzed C-H Activation-Initiated Directed Cyclopropanation of Allylic Alcohols.","Journal of the American Chemical Society","2019","141","17","6807","6811","10.1021/jacs.9b02156","","x-ray","1.54184","CuKα","","0.0513","0.0458","","","0.1151","0.1212","","","","","","1.036","","","","has coordinates","221233","2020-10-21","18:00:00",""
"4128104","7.7496","0.0008","19.7233","0.0015","7.5396","0.0008","90","","114.514","0.014","90","","1048.5","0.2","120","","120","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C9 H16 N6 -","- C9 H16 N6 -","- C36 H64 N24 -","4","0.5","","Dale, Harvey J. A.; Hodges, George R.; Lloyd-Jones, Guy C","Taming Ambident Triazole Anions: Regioselective Ion Pairing Catalyzes Direct N-Alkylation with Atypical Regioselectivity.","Journal of the American Chemical Society","2019","141","17","7181","7193","10.1021/jacs.9b02786","","x-ray","0.71073","MoKα","","0.0698","0.057","","","0.1399","0.1493","","","","","","1.114","","","","has coordinates","221234","2020-10-21","18:00:00",""
"4128105","13.4569","0.0004","12.842","0.0005","9.2876","0.0004","90","","90","","90","","1605.02","0.1","120","","120","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H27 N5 -","- C15 H27 N5 -","- C60 H108 N20 -","4","1","","Dale, Harvey J. A.; Hodges, George R.; Lloyd-Jones, Guy C","Taming Ambident Triazole Anions: Regioselective Ion Pairing Catalyzes Direct N-Alkylation with Atypical Regioselectivity.","Journal of the American Chemical Society","2019","141","17","7181","7193","10.1021/jacs.9b02786","","x-ray","0.71073","MoKα","","0.0414","0.039","","","0.0941","0.0955","","","","","","1.07","","","","has coordinates","221235","2020-10-21","18:00:00",""
"4128106","9.6261","0.0005","10.341","0.0005","10.588","0.0006","86.497","0.004","82.129","0.004","67.729","0.005","966.1","0.09","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H30 N8 -","- C17 H30 N8 -","- C34 H60 N16 -","2","1","","Dale, Harvey J. A.; Hodges, George R.; Lloyd-Jones, Guy C","Taming Ambident Triazole Anions: Regioselective Ion Pairing Catalyzes Direct N-Alkylation with Atypical Regioselectivity.","Journal of the American Chemical Society","2019","141","17","7181","7193","10.1021/jacs.9b02786","","x-ray","0.71073","MoKα","","0.0668","0.051","","","0.1129","0.1219","","","","","","1.075","","","","has coordinates,has disorder","221236","2020-10-21","18:00:00",""
"4128107","9.0259","0.0004","13.1063","0.0005","17.2862","0.0006","78.761","0.003","76.926","0.003","89.888","0.004","1951.79","0.14","296","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 N6 O4 Ru -","- C44 H28 N6 O4 Ru -","- C88 H56 N12 O8 Ru2 -","2","1","","Elcheikh Mahmoud, Mahmoud; Audi, Hassib; Assoud, Abdeljalil; Ghaddar, Tarek H.; Hmadeh, Mohamad","Metal-Organic Framework Photocatalyst Incorporating Bis(4'-(4-carboxyphenyl)-terpyridine)ruthenium(II) for Visible-Light-Driven Carbon Dioxide Reduction.","Journal of the American Chemical Society","2019","141","17","7115","7121","10.1021/jacs.9b01920","","","0.71073","MoKα","","0.1382","0.0662","","","0.0872","0.1014","","","","","","1.099","","","","has coordinates","221237","2020-10-21","18:00:00",""
"4128108","52.5621","0.0008","23.1563","0.0004","23.8286","0.0004","90","","95.335","0.001","90","","28877.2","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C288 H192 N36 O72 Ru6 Zr6 -","- C288 H192 N36 O72 Ru6 Zr6 -","- C1152 H768 N144 O288 Ru24 Zr24 -","4","0.5","","Elcheikh Mahmoud, Mahmoud; Audi, Hassib; Assoud, Abdeljalil; Ghaddar, Tarek H.; Hmadeh, Mohamad","Metal-Organic Framework Photocatalyst Incorporating Bis(4'-(4-carboxyphenyl)-terpyridine)ruthenium(II) for Visible-Light-Driven Carbon Dioxide Reduction.","Journal of the American Chemical Society","2019","141","17","7115","7121","10.1021/jacs.9b01920","","","0.71073","MoKα","","0.2229","0.0725","","","0.1558","0.1791","","","","","","1.022","","","","has coordinates","221238","2020-10-21","18:00:00",""
"4128109","4.6221","0.0009","7.3099","0.0015","29.54","0.006","90","","90","","90","","998.1","0.3","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 I N O -","- C10 H10 I N O -","- C40 H40 I4 N4 O4 -","4","1","","Wang, Hao; Park, Yoonsu; Bai, Ziqian; Chang, Sukbok; He, Gang; Chen, Gong","Iridium-Catalyzed Enantioselective C(sp<sup>3</sup>)-H Amidation Controlled by Attractive Noncovalent Interactions.","Journal of the American Chemical Society","2019","141","17","7194","7201","10.1021/jacs.9b02811","","","0.71073","MoKα","","0.0255","0.0241","","","0.0532","0.0541","","","","","","1.034","","","","has coordinates","221239","2020-10-21","18:00:00",""
"4128110","14.374","0.003","20.416","0.004","20.775","0.004","90","","90","","90","","6097","2","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H35 Cl Ir N3 O3 -","- C33 H35 Cl Ir N3 O3 -","- C264 H280 Cl8 Ir8 N24 O24 -","8","2","","Wang, Hao; Park, Yoonsu; Bai, Ziqian; Chang, Sukbok; He, Gang; Chen, Gong","Iridium-Catalyzed Enantioselective C(sp<sup>3</sup>)-H Amidation Controlled by Attractive Noncovalent Interactions.","Journal of the American Chemical Society","2019","141","17","7194","7201","10.1021/jacs.9b02811","","","0.71073","MoKα","","0.0564","0.0507","","","0.0968","0.0996","","","","","","1.109","","","","has coordinates","221240","2020-10-21","18:00:00",""
"4128111","12.6425","0.0003","20.1905","0.0004","38.4232","0.0007","90","","93.211","0.001","90","","9792.4","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C100 H92 Cl8 F6 N6 O3 Ru3 S6 -","- C100 H92 Cl8 F6 N6 O3 Ru3 S6 -","- C400 H368 Cl32 F24 N24 O12 Ru12 S24 -","4","1","","Liu, Zhenxing; Xu, Chaofan; Del Pozo, Juan; Torker, Sebastian; Hoveyda, Amir H.","Ru-Based Catechothiolate Complexes Bearing an Unsaturated NHC Ligand: Effective Cross-Metathesis Catalysts for Synthesis of ( Z)-α,β-Unsaturated Esters, Carboxylic Acids, and Primary, Secondary, and Weinreb Amides.","Journal of the American Chemical Society","2019","141","17","7137","7146","10.1021/jacs.9b02318","","","1.54178","CuKα","","0.0742","0.0662","","","0.1724","0.1776","","","","","","1.131","","","","has coordinates,has disorder","221241","2020-10-21","18:00:00",""
"4128112","15.3861","0.0007","17.6259","0.0008","24.9415","0.0012","90","","107.801","0.002","90","","6440.1","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C67 H60 Cl4 F4 N4 O3 Ru2 S4 -","- C67 H60 Cl4 F4 N4 O3 Ru2 S4 -","- C268 H240 Cl16 F16 N16 O12 Ru8 S16 -","4","1","","Liu, Zhenxing; Xu, Chaofan; Del Pozo, Juan; Torker, Sebastian; Hoveyda, Amir H.","Ru-Based Catechothiolate Complexes Bearing an Unsaturated NHC Ligand: Effective Cross-Metathesis Catalysts for Synthesis of ( Z)-α,β-Unsaturated Esters, Carboxylic Acids, and Primary, Secondary, and Weinreb Amides.","Journal of the American Chemical Society","2019","141","17","7137","7146","10.1021/jacs.9b02318","","","1.54178","CuKα","","0.0361","0.035","","","0.0905","0.0914","","","","","","1.025","","","","has coordinates,has disorder","221242","2020-10-21","18:00:00",""
"4128113","10.7639","0.0007","21.7165","0.0014","31.819","0.002","90","","90","","90","","7437.8","0.8","100","2","100.11","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H46 Ca Co N6 O17 -","- C29 H46 Ca Co N6 O17 -","- C232 H368 Ca8 Co8 N48 O136 -","8","1","","Du, Kang; Thorarinsdottir, Agnes E.; Harris, T. David","Selective Binding and Quantitation of Calcium with a Cobalt-Based Magnetic Resonance Probe.","Journal of the American Chemical Society","2019","141","17","7163","7172","10.1021/jacs.9b02661","","","0.71073","MoKα","","0.1447","0.135","","","0.284","0.288","","","","","","1.204","","","","has coordinates,has disorder","221243","2020-10-21","18:00:00",""
"4128114","35.066","0.007","35.066","0.007","35.066","0.007","90","","90","","90","","43118","15","100","2","99.98","","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C55 H76.36 Co2 N8 O18.1 -","- C55 H76.36 Co2 N8 O18.106 -","- C1320 H1832.64 Co48 N192 O434.544 -","24","0.5","","Du, Kang; Thorarinsdottir, Agnes E.; Harris, T. David","Selective Binding and Quantitation of Calcium with a Cobalt-Based Magnetic Resonance Probe.","Journal of the American Chemical Society","2019","141","17","7163","7172","10.1021/jacs.9b02661","","","0.71073","MoKα","","0.1196","0.0805","","","0.2235","0.2755","","","","","","1.064","","","","has coordinates,has disorder","221244","2020-10-21","18:00:00",""
"4128115","34.793","0.003","34.793","0.003","34.793","0.003","90","","90","","90","","42119","6","100","2","100","","","","","","","","","6","I a -3","-I 2b 2c 3","206","","","","- C52 H72 Co2 N9 Na2 O21 -","- C52 H72 Co2 N9 Na2 O21 -","- C1248 H1728 Co48 N216 Na48 O504 -","24","0.5","","Du, Kang; Thorarinsdottir, Agnes E.; Harris, T. David","Selective Binding and Quantitation of Calcium with a Cobalt-Based Magnetic Resonance Probe.","Journal of the American Chemical Society","2019","141","17","7163","7172","10.1021/jacs.9b02661","","","0.71073","MoKα","","0.1662","0.1523","","","0.4727","0.4885","","","","","","2.32","","","","has coordinates","221245","2020-10-21","18:00:00",""
"4128116","11.7944","0.0002","17.3479","0.0003","25.4626","0.0003","107.716","0.001","94.056","0.001","107.82","0.001","4646.92","0.13","99.9","0.3","99.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C66 H66 N4 O2 S2 -","- C66 H66 N4 O2 S2 -","- C198 H198 N12 O6 S6 -","3","1.5","","Chandrabose, Sreelakshmi; Chen, Kai; Barker, Alex J.; Sutton, Joshua J.; Prasad, Shyamal K. K.; Zhu, Jingshuai; Zhou, Jiadong; Gordon, Keith C.; Xie, Zengqi; Zhan, Xiaowei; Hodgkiss, Justin M.","High Exciton Diffusion Coefficients in Fused Ring Electron Acceptor Films.","Journal of the American Chemical Society","2019","141","17","6922","6929","10.1021/jacs.8b12982","","x-ray","1.54184","CuKα","","0.0532","0.047","","","0.1289","0.1333","","","","","","1.046","","","","has coordinates","221246","2020-10-21","18:00:00",""
"4128117","21.166","0.0004","21.8072","0.0004","35.8636","0.0007","90.804","0.002","102.438","0.002","104.311","0.002","15623.8","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C177.5 H139.5 F4.5 I9 N49.25 O4.5 P4 S1.5 Zn6 -","- C177.5 H136.5 F4.5 I9 N49.25 O4.5 P4 S1.5 Zn6 -","- C355 H273 F9 I18 N98.5 O9 P8 S3 Zn12 -","2","1","","McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Phosphine Cages Controls Host-Guest Behavior.","Journal of the American Chemical Society","2019","141","17","6837","6842","10.1021/jacs.9b02604","","","0.6889","Synchrotron","","0.15","0.1265","","","0.351","0.3638","","","","","","1.031","","","","has coordinates,has disorder","221247","2020-10-21","18:00:00",""
"4128118","42.046","0.0001","42.046","0.0001","107.4786","0.0004","90","","90","","120","","164552","0.8","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C196 H180 Fe4 N63 O37.17 P4.67 S4 -","- C196 H138 Fe4 N63 O29.1667 P4.66667 S2 -","- C3528 H2484 Fe72 N1134 O525 P84 S36 -","18","0.5","","McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Phosphine Cages Controls Host-Guest Behavior.","Journal of the American Chemical Society","2019","141","17","6837","6842","10.1021/jacs.9b02604","","","0.6889","Synchrotron","","0.1191","0.1045","","","0.3225","0.3396","","","","","","1.306","","","","has coordinates,has disorder","221248","2020-10-21","18:00:00",""
"4128119","21.1855","0.0002","24.1723","0.0002","33.8253","0.0003","89.961","0.001","84.215","0.001","65.895","0.001","15715.3","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C228.5 H186.75 F13.5 I8.5 N53 Ni5.1 O9 P4 S4.5 -","- C228.5 H186.75 F13.5 I8.5 N53 Ni5.1 O9 P4 S4.5 -","- C457 H373.5 F27 I17 N106 Ni10.2 O18 P8 S9 -","2","1","","McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Phosphine Cages Controls Host-Guest Behavior.","Journal of the American Chemical Society","2019","141","17","6837","6842","10.1021/jacs.9b02604","","","0.6889","Synchrotron","","0.1093","0.0901","","","0.2854","0.3003","","","","","","1.004","","","","has coordinates,has disorder","221249","2020-10-21","18:00:00",""
"4128120","4.9802","0.0006","22.13","0.003","28.504","0.003","90","","90","","90","","3141.5","0.7","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 Br N O5 -","- C31 H48 Br N O5 -","- C124 H192 Br4 N4 O20 -","4","1","","Liu, Cui-Ping; Xie, Cheng-Ying; Zhao, Jin-Xin; Ji, Kai-Long; Lei, Xin-Xiang; Sun, Han; Lou, Li-Guang; Yue, Jian-Min","Dysoxylactam A: A Macrocyclolipopeptide Reverses P-Glycoprotein-Mediated Multidrug Resistance in Cancer Cells.","Journal of the American Chemical Society","2019","141","17","6812","6816","10.1021/jacs.9b02259","","","0.71073","MoKα","","0.0987","0.0465","","","0.0553","0.0648","","","","","","0.996","","","","has coordinates","221250","2020-10-21","18:00:00",""
"4128121","23.055","0.003","23.056","0.002","23.99","0.003","90","","90","","90","","12752","3","100","2","100","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C160 H200 Cl26 Li6 N4 O40 P4 Pd4 S8 -","- C160 H200 Cl26 Li6 N4 O40 P4 Pd4 S8 -","- C320 H400 Cl52 Li12 N8 O80 P8 Pd8 S16 -","2","0.5","","Liu, Qian; Jordan, Richard F.","Sterically Controlled Self-Assembly of a Robust Multinuclear Palladium Catalyst for Ethylene Polymerization.","Journal of the American Chemical Society","2019","141","17","6827","6831","10.1021/jacs.9b02465","","","0.71073","MoKα","","0.0788","0.0563","","","0.1297","0.1371","","","","","","1.045","","","","has coordinates,has disorder","221251","2020-10-21","18:00:00",""
"4128122","10.779","0.003","14.999","0.004","25.118","0.006","90","","90","","90","","4060.9","1.8","360","2","360","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9-anthracenyl-1,2,3,5-dithiadiazolyl","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C180 H108 N24 S24 -","12","3","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.1719","0.0852","","","0.1532","0.1999","","","","","","1.063","","","","has coordinates","221252","2020-10-21","18:00:00",""
"4128123","10.212","0.005","7.996","0.004","15.782","0.006","90","","100.49","0.03","90","","1267.1","1","280","2","280","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C60 H36 N8 S8 -","4","1","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","1.54178","CuKα","","0.1465","0.0916","","","0.2508","0.3097","","","","","","1.079","","","","has coordinates","221253","2020-10-21","18:00:00",""
"4128124","14.762","0.008","10.712","0.006","8.346","0.005","90","","97.792","0.016","90","","1307.6","1.3","253","2","253","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C60 H36 N8 S8 -","4","1","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.2058","0.1262","","","0.2697","0.3198","","","","","","1.066","","","","has coordinates","221254","2020-10-21","18:00:00",""
"4128125","14.7027","0.0011","10.7141","0.0007","8.2871","0.0005","90","","98.771","0.004","90","","1290.17","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-Anthracenyl 1,2,3,5-dithiadiazolyl ?","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C60 H36 N8 S8 -","4","1","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","1.54178","CuKα","","0.1104","0.0864","","","0.2206","0.2334","","","","","","1.064","","","","has coordinates","221255","2020-10-21","18:00:00",""
"4128126","10.7397","0.0013","14.859","0.002","24.974","0.003","90","","90","","90","","3985.4","0.9","310","2","310","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9-Anthracenyl-1,2,3,5-dithiadiazolyl","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C180 H108 N24 S24 -","12","3","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.1522","0.09","","","0.207","0.253","","","","","","1.057","","","","has coordinates","221256","2020-10-21","18:00:00",""
"4128127","10.7459","0.0011","14.8885","0.0018","25.019","0.003","90","","90","","90","","4002.8","0.8","330","2","330","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9-Anthracenyl 1,2,3,5-dithiadiazolyl","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C180 H108 N24 S24 -","12","3","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.1534","0.0869","","","0.2114","0.2636","","","","","","1.073","","","","has coordinates","221257","2020-10-21","18:00:00",""
"4128128","13.412","0.002","14.723","0.003","13.429","0.002","90","","104.666","0.005","90","","2565.4","0.8","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-Anthracenyl 1,2,3,5-dithiadiazolyl","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C120 H72 N16 S16 -","8","2","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.1131","0.0642","","","0.1504","0.1809","","","","","","1.109","","","","has coordinates","221258","2020-10-21","18:00:00",""
"4128129","14.672","0.007","10.673","0.005","8.294","0.004","90","","98.49","0.014","90","","1284.6","1.1","195","2","195","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C60 H36 N8 S8 -","4","1","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.1701","0.1147","","","0.2884","0.3473","","","","","","1.037","","","","has coordinates","221259","2020-10-21","18:00:00",""
"4128130","13.4489","0.0013","14.7539","0.0015","13.4604","0.0013","90","","104.725","0.003","90","","2583.1","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C120 H72 N16 S16 -","8","2","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.0695","0.0554","","","0.1407","0.1509","","","","","","1.073","","","","has coordinates","221260","2020-10-21","18:00:00",""
"4128131","14.788","0.014","10.794","0.01","8.355","0.008","90","","97.334","0.009","90","","1323","2","273","2","273.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C60 H36 N8 S8 -","4","1","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.1603","0.1107","","","0.2666","0.3015","","","","","","1.099","","","","has coordinates","221261","2020-10-21","18:00:00",""
"4128132","10.2054","0.0003","7.9074","0.0002","15.6084","0.0004","90","","100.069","0.001","90","","1240.17","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-Anthracenyl 1,2,3,5-dithiadiazolyl","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C60 H36 N8 S8 -","4","1","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","1.54178","CuKα","","0.0965","0.0841","","","0.2117","0.2314","","","","","","1.111","","","","has coordinates","221262","2020-10-21","18:00:00",""
"4128133","14.79","0.008","10.719","0.005","8.355","0.004","90","","97.001","0.015","90","","1314.7","1.1","295","2","295.03","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C60 H36 N8 S8 -","4","1","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.218","0.1285","","","0.3181","0.4059","","","","","","1.034","","","","has coordinates","221263","2020-10-21","18:00:00",""
"4128134","22.2409","0.0011","16.5648","0.0011","22.3829","0.0013","90","","90","","90","","8246.2","0.8","100.01","0.1","100.01","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C64 H132 Al2 Li2 O8 P4 Si4 -","- C64 H132 Al2 Li2 O8 P4 Si4 -","- C256 H528 Al8 Li8 O32 P16 Si16 -","4","0.5","","Du, Shanshan; Yang, Jimin; Hu, Jingyuan; Chai, Zhengqi; Luo, Gen; Luo, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","Direct Functionalization of White Phosphorus to Cyclotetraphosphanes: Selective Formation of Four P-C Bonds.","Journal of the American Chemical Society","2019","141","17","6843","6847","10.1021/jacs.9b02628","","x-ray","0.71073","MoKα","","0.1097","0.078","","","0.2033","0.2225","","","","","","1.055","","","","has coordinates","221264","2020-10-21","18:00:00",""
"4128135","16.4422","0.0002","20.0536","0.0003","27.5154","0.0004","90","","90","","90","","9072.5","0.2","180","0.3","180","0.3","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76 H152 Al2 Li2 O10 P4 Si4 -","- C76 H152 Al2 Li2 O10 P4 Si4 -","- C304 H608 Al8 Li8 O40 P16 Si16 -","4","0.5","","Du, Shanshan; Yang, Jimin; Hu, Jingyuan; Chai, Zhengqi; Luo, Gen; Luo, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","Direct Functionalization of White Phosphorus to Cyclotetraphosphanes: Selective Formation of Four P-C Bonds.","Journal of the American Chemical Society","2019","141","17","6843","6847","10.1021/jacs.9b02628","","x-ray","0.71073","MoKα","","0.0826","0.0738","","","0.1997","0.2094","","","","","","1.04","","","","has coordinates","221264","2020-10-21","18:00:00",""
"4128136","14.9811","0.0002","16.4506","0.0003","17.9869","0.0003","90","","90","","90","","4432.84","0.12","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H74 Al2 P4 Si4 -","- C34 H74 Al2 P4 Si4 -","- C136 H296 Al8 P16 Si16 -","4","1","","Du, Shanshan; Yang, Jimin; Hu, Jingyuan; Chai, Zhengqi; Luo, Gen; Luo, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","Direct Functionalization of White Phosphorus to Cyclotetraphosphanes: Selective Formation of Four P-C Bonds.","Journal of the American Chemical Society","2019","141","17","6843","6847","10.1021/jacs.9b02628","","x-ray","0.71073","MoKα","","0.0831","0.0779","","","0.2042","0.2104","","","","","","1.061","","","","has coordinates,has disorder","221264","2020-10-21","18:00:00",""
"4128137","15.9907","0.0014","12.3762","0.0011","10.9542","0.0009","90","","95.493","0.007","90","","2157.9","0.3","179.9","0.4","179.9","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 K O P Si2 -","- C16 H32 K O P Si2 -","- C64 H128 K4 O4 P4 Si8 -","4","1","","Du, Shanshan; Yang, Jimin; Hu, Jingyuan; Chai, Zhengqi; Luo, Gen; Luo, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","Direct Functionalization of White Phosphorus to Cyclotetraphosphanes: Selective Formation of Four P-C Bonds.","Journal of the American Chemical Society","2019","141","17","6843","6847","10.1021/jacs.9b02628","","x-ray","0.71073","MoKα","","0.0996","0.0655","","","0.1299","0.1429","","","","","","1.041","","","","has coordinates","221264","2020-10-21","18:00:00",""
"4128138","14.5868","0.0003","15.2506","0.0003","19.9075","0.0005","90","","104.964","0.002","90","","4278.39","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 I P Si2 -","- C14 H30 I P Si2 -","- C112 H240 I8 P8 Si16 -","8","2","","Du, Shanshan; Yang, Jimin; Hu, Jingyuan; Chai, Zhengqi; Luo, Gen; Luo, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","Direct Functionalization of White Phosphorus to Cyclotetraphosphanes: Selective Formation of Four P-C Bonds.","Journal of the American Chemical Society","2019","141","17","6843","6847","10.1021/jacs.9b02628","","x-ray","0.71073","MoKα","","0.0627","0.049","","","0.1248","0.1338","","","","","","1.043","","","","has coordinates","221264","2020-10-21","18:00:00",""
"4128139","8.4206","0.0002","8.4206","0.0002","13.1696","0.0003","90","","90","","120","","808.7","0.03","120","2","120","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C10 H14 Fe N4 -","- C10 H14 Fe N4 -","- C30 H42 Fe3 N12 -","3","0.5","","López-Cabrelles, Javier; Romero, Jorge; Abellán, Gonzalo; Giménez-Marqués, Mónica; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Mínguez Espallargas, Guillermo","Solvent-Free Synthesis of ZIFs: A Route toward the Elusive Fe(II) Analogue of ZIF-8.","Journal of the American Chemical Society","2019","141","17","7173","7180","10.1021/jacs.9b02686","","x-ray","0.71073","MoKα","","0.0299","0.0266","","","0.0493","0.0513","","","","","","1.109","","","","has coordinates","221265","2020-10-21","18:00:00",""
"4128140","17.1656","0.0002","17.1656","0.0002","17.1656","0.0002","90","","90","","90","","5057.98","0.1","120","2","120.15","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C8 H10 Fe N4 -","- C8 H10 Fe N4 -","- C96 H120 Fe12 N48 -","12","0.25","","López-Cabrelles, Javier; Romero, Jorge; Abellán, Gonzalo; Giménez-Marqués, Mónica; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Mínguez Espallargas, Guillermo","Solvent-Free Synthesis of ZIFs: A Route toward the Elusive Fe(II) Analogue of ZIF-8.","Journal of the American Chemical Society","2019","141","17","7173","7180","10.1021/jacs.9b02686","","","0.71073","MoKα","","0.0737","0.0482","","","0.1381","0.1456","","","","","","1.507","","","","has coordinates,has disorder","221266","2020-10-21","18:00:00",""
"4128141","9.2434","0.0014","9.3503","0.0013","15.9876","0.0018","90","","90","","90","","1381.8","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Fe N4 -","- C16 H14 Fe N4 -","- C64 H56 Fe4 N16 -","4","1","","López-Cabrelles, Javier; Romero, Jorge; Abellán, Gonzalo; Giménez-Marqués, Mónica; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Mínguez Espallargas, Guillermo","Solvent-Free Synthesis of ZIFs: A Route toward the Elusive Fe(II) Analogue of ZIF-8.","Journal of the American Chemical Society","2019","141","17","7173","7180","10.1021/jacs.9b02686","","x-ray","0.71073","MoKα","","0.0574","0.0554","","","0.1323","0.1368","","","","","","1.065","","","","has coordinates","221267","2020-10-21","18:00:00",""
"4128142","8.0015","0.0004","10.2072","0.0006","14.8838","0.0008","90","","90.669","0.003","90","","1215.52","0.11","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Lee, Chung Whan; Taylor, Buck L. H.; Petrova, Galina P.; Patel, Ashay; Morokuma, Keiji; Houk, K. N.; Stoltz, Brian M.","An Unexpected Ireland-Claisen Rearrangement Cascade During the Synthesis of the Tricyclic Core of Curcusone C: Mechanistic Elucidation by Trial-and-Error and Automatic Artificial Force-Induced Reaction (AFIR) Computations.","Journal of the American Chemical Society","2019","141","17","6995","7004","10.1021/jacs.9b01146","","","0.71073","MoKα","","0.0511","0.0379","","","0.1076","0.1117","","","","","","1.756","","","","has coordinates","221268","2020-10-21","18:00:00",""
"4128143","19.3346","0.001","21.5305","0.0011","9.9784","0.0005","90.199","0.003","93.729","0.003","90.81","0.003","4144.6","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N2 O4 S -","- C22 H26 N2 O4 S -","- C176 H208 N16 O32 S8 -","8","4","","Lee, Chung Whan; Taylor, Buck L. H.; Petrova, Galina P.; Patel, Ashay; Morokuma, Keiji; Houk, K. N.; Stoltz, Brian M.","An Unexpected Ireland-Claisen Rearrangement Cascade During the Synthesis of the Tricyclic Core of Curcusone C: Mechanistic Elucidation by Trial-and-Error and Automatic Artificial Force-Induced Reaction (AFIR) Computations.","Journal of the American Chemical Society","2019","141","17","6995","7004","10.1021/jacs.9b01146","","","0.71073","MoKα","","0.1406","0.0907","","","0.2272","0.2638","","","","","","1.037","","","","has coordinates","221269","2020-10-21","18:00:00",""
"4128144","13.567","0.005","21.132","0.008","10.077","0.004","90","","107.266","0.006","90","","2758.9","1.8","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 N2 O3 Si -","- C29 H38 N2 O3 Si -","- C116 H152 N8 O12 Si4 -","4","1","","Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun","Enantioselective Total Synthesis of (+)-Arboridinine.","Journal of the American Chemical Society","2019","141","17","7147","7154","10.1021/jacs.9b02362","","","0.71073","MoKα","","0.065","0.0454","","","0.1214","0.1362","","","","","","1.041","","","","has coordinates","221270","2020-10-21","18:00:00",""
"4128145","13.1415","0.0011","10.9429","0.0007","12.8855","0.0009","90","","113.53","0.009","90","","1698.9","0.2","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun","Enantioselective Total Synthesis of (+)-Arboridinine.","Journal of the American Chemical Society","2019","141","17","7147","7154","10.1021/jacs.9b02362","","","0.71073","MoKα","","0.115","0.0615","","","0.1252","0.1642","","","","","","1.074","","","","has coordinates","221271","2020-10-21","18:00:00",""
"4128146","33.295","0.003","11.0183","0.0007","12.8497","0.0008","90","","99.527","0.007","90","","4649","0.6","294.1","0.7","294.1","0.7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Cl N2 O -","- C18 H19 Cl N2 O -","- C216 H228 Cl12 N24 O12 -","12","3","","Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun","Enantioselective Total Synthesis of (+)-Arboridinine.","Journal of the American Chemical Society","2019","141","17","7147","7154","10.1021/jacs.9b02362","","","0.71073","MoKα","","0.1704","0.0792","","","0.1619","0.2178","","","","","","1.025","","","","has coordinates,has disorder","221272","2020-10-21","18:00:00",""
"4128147","13.263","0.003","11.842","0.002","15.897","0.003","90","","110.521","0.003","90","","2338.4","0.8","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O -","- C14 H15 N O -","- C112 H120 N8 O8 -","8","2","","Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun","Enantioselective Total Synthesis of (+)-Arboridinine.","Journal of the American Chemical Society","2019","141","17","7147","7154","10.1021/jacs.9b02362","","","0.71073","MoKα","","0.1041","0.0667","","","0.1846","0.2129","","","","","","1.052","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4128148","8.1557","0.0004","11.787","0.0007","16.3493","0.0009","85.937","0.005","89.698","0.004","85.953","0.004","1563.82","0.15","291.59","0.1","291.59","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","2","","Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun","Enantioselective Total Synthesis of (+)-Arboridinine.","Journal of the American Chemical Society","2019","141","17","7147","7154","10.1021/jacs.9b02362","","x-ray","1.54184","CuKα","","0.0834","0.068","","","0.1983","0.2099","","","","","","1.108","","","","has coordinates","221274","2020-10-21","18:00:00",""
"4128149","23.649","0.003","7.8636","0.0004","20.272","0.002","90","","126.277","0.018","90","","3039.2","0.9","290.7","0.16","290.7","0.16","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C136 H168 N8 O16 -","8","1","","Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun","Enantioselective Total Synthesis of (+)-Arboridinine.","Journal of the American Chemical Society","2019","141","17","7147","7154","10.1021/jacs.9b02362","","","0.7107","MoKα","","0.0971","0.0619","","","0.1506","0.1738","","","","","","1.044","","","","has coordinates","221275","2020-10-21","18:00:00",""
"4128150","10.91514","0.00018","12.1031","0.0002","32.0994","0.0006","90","","95.1628","0.0016","90","","4223.35","0.13","173","0.1","173","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 N2 O3 -","- C25 H26 N2 O3 -","- C200 H208 N16 O24 -","8","4","","Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun","Enantioselective Total Synthesis of (+)-Arboridinine.","Journal of the American Chemical Society","2019","141","17","7147","7154","10.1021/jacs.9b02362","","x-ray","1.54184","CuKα","","0.0393","0.0378","","","0.0993","0.1013","","","","","","1.036","","","","has coordinates","221276","2020-10-21","18:00:00",""
"4128151","6.1734","0.0002","12.3999","0.0004","20.4254","0.0006","97.203","0.001","97.059","0.001","99.727","0.001","1512.23","0.08","100","","100","","","","","","","","","5","P 1","P 1","1","","4-(1-((4-methoxybenzyl)-l4-azanyl)propan-2-yl)-4l4-morpholine, 4-methylbenzenesulfonate salt","","- C29 H40 N2 O8 S2 -","- C29 H40 N2 O8 S2 -","- C58 H80 N4 O16 S4 -","2","2","","Vanable, Evan P.; Kennemur, Jennifer L.; Joyce, Leo A.; Ruck, Rebecca T.; Schultz, Danielle M.; Hull, Kami L.","Rhodium-Catalyzed Asymmetric Hydroamination of Allyl Amines.","Journal of the American Chemical Society","2019","141","2","739","742","10.1021/jacs.8b09811","","","0.71073","MoKα","","0.0498","0.0413","","","0.0955","0.1007","","","","","","1.052","","","","has coordinates,has disorder","221277","2020-10-21","18:00:00",""
"4128152","10.5503","0.0004","9.1488","0.0004","12.4459","0.0005","90","","98.766","0.003","90","","1187.28","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H33 N O6 S -","- C22 H33 N O6 S -","- C44 H66 N2 O12 S2 -","2","1","","Tan, Dan; Jamieson, Cooper S.; Ohashi, Masao; Tang, Man-Cheng; Houk, K. N.; Tang, Yi","Genome-Mined Diels-Alderase Catalyzes Formation of the cis-Octahydrodecalins of Varicidin A and B.","Journal of the American Chemical Society","2019","141","2","769","773","10.1021/jacs.8b12010","","","1.54178","CuKα","","0.0418","0.0346","","","0.078","0.081","","","","","","1.046","","","","has coordinates","221278","2020-10-21","18:00:00",""
"4128153","9.7653","0.0009","9.7181","0.0009","13.3075","0.0012","90","","98.833","0.001","90","","1247.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 N O2 -","- C13 H21 N O2 -","- C52 H84 N4 O8 -","4","1","","Feng, Zhengao; Allred, Tyler K.; Hurlow, Evan E.; Harran, Patrick G.","Anomalous Chromophore Disruption Enables an Eight-Step Synthesis and Stereochemical Reassignment of (+)-Marineosin A.","Journal of the American Chemical Society","2019","141","6","2274","2278","10.1021/jacs.9b00396","","","0.71073","MoKα","","0.0454","0.0433","","","0.1111","0.1133","","","","","","1.072","","","","has coordinates","221279","2020-10-21","18:00:00",""
"4128154","7.7866","0.0003","15.2172","0.0007","10.1883","0.0005","90","","112.279","0.003","90","","1117.09","0.09","0","2","0","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 N O -","- C13 H19 N O -","- C52 H76 N4 O4 -","4","1","","Feng, Zhengao; Allred, Tyler K.; Hurlow, Evan E.; Harran, Patrick G.","Anomalous Chromophore Disruption Enables an Eight-Step Synthesis and Stereochemical Reassignment of (+)-Marineosin A.","Journal of the American Chemical Society","2019","141","6","2274","2278","10.1021/jacs.9b00396","","","1.54178","CuKα","","0.0492","0.04","","","0.0984","0.1006","","","","","","0.958","","","","has coordinates","221280","2020-10-21","18:00:00",""
"4128155","33.1593","0.0015","8.7821","0.0004","23.3882","0.001","90","","129.718","0.002","90","","5238.9","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26.5 H37.5 Cl N3 O2 -","- C26.5 H37.5 Cl N3 O2 -","- C212 H300 Cl8 N24 O16 -","8","2","","Feng, Zhengao; Allred, Tyler K.; Hurlow, Evan E.; Harran, Patrick G.","Anomalous Chromophore Disruption Enables an Eight-Step Synthesis and Stereochemical Reassignment of (+)-Marineosin A.","Journal of the American Chemical Society","2019","141","6","2274","2278","10.1021/jacs.9b00396","","","1.54178","CuKα","","0.0541","0.046","","","0.1164","0.1199","","","","","","1.046","","","","has coordinates,has disorder","221282","2020-10-21","18:00:00",""
"4128156","9.422","0.0003","9.3471","0.0003","12.8767","0.0005","90","","99.966","0.002","90","","1116.92","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 N O -","- C13 H19 N O -","- C52 H76 N4 O4 -","4","1","","Feng, Zhengao; Allred, Tyler K.; Hurlow, Evan E.; Harran, Patrick G.","Anomalous Chromophore Disruption Enables an Eight-Step Synthesis and Stereochemical Reassignment of (+)-Marineosin A.","Journal of the American Chemical Society","2019","141","6","2274","2278","10.1021/jacs.9b00396","","","1.54178","CuKα","","0.042","0.0389","","","0.0921","0.0934","","","","","","1.098","","","","has coordinates","221284","2020-10-21","18:00:00",""
"4128157","10.609","0.0009","7.879","0.0006","17.4437","0.0014","90","","97.679","0.002","90","","1445","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cu N4 O8 -","- C26 H38 Cu N4 O8 -","- C52 H76 Cu2 N8 O16 -","2","0.5","","Feng, Zhengao; Allred, Tyler K.; Hurlow, Evan E.; Harran, Patrick G.","Anomalous Chromophore Disruption Enables an Eight-Step Synthesis and Stereochemical Reassignment of (+)-Marineosin A.","Journal of the American Chemical Society","2019","141","6","2274","2278","10.1021/jacs.9b00396","","","0.71073","MoKα","","0.0663","0.0371","","","0.0994","0.1119","","","","","","1.013","","","","has coordinates","221286","2020-10-21","18:00:00",""
"4128158","9.9276","0.0001","10.7525","0.0001","12.9548","0.0001","99.713","0.001","104.856","0.001","110.259","0.001","1202.35","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PIDAsidepdt","","","- C27 H32 Cl2 N2 O -","- C27 H32 Cl2 N2 O -","- C54 H64 Cl4 N4 O2 -","2","1","","Johnson, Rebecca E.; Ree, Hwisoo; Hartmann, Marco; Lang, Laura; Sawano, Shota; Sarpong, Richmond","Total Synthesis of Pentacyclic (-)-Ambiguine P Using Sequential Indole Functionalizations.","Journal of the American Chemical Society","2019","141","6","2233","2237","10.1021/jacs.8b13388","","","1.54184","CuKα","","0.0397","0.0395","","","0.1062","0.1063","","","","","","1.054","","","","has coordinates","221288","2020-10-21","18:00:00",""
"4128159","9.217","0.0003","12.9842","0.0004","17.6732","0.0006","90","","90","","90","","2115.05","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","MLH-B1-115","sarpong135","","- C26 H28 N2 O -","- C26 H28 N2 O -","- C104 H112 N8 O4 -","4","1","","Johnson, Rebecca E.; Ree, Hwisoo; Hartmann, Marco; Lang, Laura; Sawano, Shota; Sarpong, Richmond","Total Synthesis of Pentacyclic (-)-Ambiguine P Using Sequential Indole Functionalizations.","Journal of the American Chemical Society","2019","141","6","2233","2237","10.1021/jacs.8b13388","","","1.54178","CuKα","","0.046","0.0402","","","0.1002","0.1044","","","","","","1.027","","","","has coordinates","221290","2020-10-21","18:00:00",""
"4128160","8.0296","0.001","10.96","0.0014","13.2363","0.0016","75.163","0.002","73.585","0.002","80.678","0.002","1075.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N2 O6 S -","- C21 H24 N2 O6 S -","- C42 H48 N4 O12 S2 -","2","1","","Wang, Ye; Zhang, Wen-Yun; You, Shu-Li","Ketones and Aldehydes as O-Nucleophiles in Iridium-Catalyzed Intramolecular Asymmetric Allylic Substitution Reaction.","Journal of the American Chemical Society","2019","141","6","2228","2232","10.1021/jacs.8b13182","","","0.71073","MoKα","","0.0616","0.0379","","","0.0923","0.1059","","","","","","1.025","","","","has coordinates","221292","2020-10-21","18:00:00",""
"4128161","8.2832","0.0001","10.1297","0.0002","10.7689","0.0002","79.365","0.001","82.958","0.001","76.332","0.001","859.95","0.03","170","2","170.01","","","","","","","","","6","P 1","P 1","1","","","","- C19 H18 F N O3 S -","- C19 H18 F N O3 S -","- C38 H36 F2 N2 O6 S2 -","2","2","","Wang, Ye; Zhang, Wen-Yun; You, Shu-Li","Ketones and Aldehydes as O-Nucleophiles in Iridium-Catalyzed Intramolecular Asymmetric Allylic Substitution Reaction.","Journal of the American Chemical Society","2019","141","6","2228","2232","10.1021/jacs.8b13182","","","1.34139","GaKα","","0.0393","0.0384","","","0.1276","0.1289","","","","","","1.135","","","","has coordinates","221294","2020-10-21","18:00:00",""
"4128162","11.9205","0.0007","6.7662","0.0004","23.36","0.0014","90","","92.608","0.002","90","","1882.18","0.19","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O5 S -","- C19 H18 N2 O5 S -","- C76 H72 N8 O20 S4 -","4","2","","Wang, Ye; Zhang, Wen-Yun; You, Shu-Li","Ketones and Aldehydes as O-Nucleophiles in Iridium-Catalyzed Intramolecular Asymmetric Allylic Substitution Reaction.","Journal of the American Chemical Society","2019","141","6","2228","2232","10.1021/jacs.8b13182","","","1.34139","GaKα","","0.0568","0.048","","","0.1211","0.1299","","","","","","1.022","","","","has coordinates","221296","2020-10-21","18:00:00",""
"4128163","9.5048","0.0003","19.9335","0.0006","12.2973","0.0004","90","","103.258","0.001","90","","2267.8","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 F3 N O5 -","- C25 H22 F3 N O5 -","- C100 H88 F12 N4 O20 -","4","1","","Zhu, Min; Zheng, Chao; Zhang, Xiao; You, Shu-Li","Synthesis of Cyclobutane-Fused Angular Tetracyclic Spiroindolines via Visible-Light-Promoted Intramolecular Dearomatization of Indole Derivatives.","Journal of the American Chemical Society","2019","141","6","2636","2644","10.1021/jacs.8b12965","","","0.71073","MoKα","","0.0734","0.0547","","","0.1332","0.1489","","","","","","1.06","","","","has coordinates","221298","2020-10-21","18:00:00",""
"4128164","8.9322","0.0004","9.3914","0.0005","10.8992","0.0006","65.743","0.002","71.707","0.002","63.078","0.002","733.98","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C34 H38 N2 O6 -","2","1","","Zhu, Min; Zheng, Chao; Zhang, Xiao; You, Shu-Li","Synthesis of Cyclobutane-Fused Angular Tetracyclic Spiroindolines via Visible-Light-Promoted Intramolecular Dearomatization of Indole Derivatives.","Journal of the American Chemical Society","2019","141","6","2636","2644","10.1021/jacs.8b12965","","","0.71073","MoKα","","0.063","0.0475","","","0.1123","0.1253","","","","","","1.047","","","","has coordinates","221300","2020-10-21","18:00:00",""
"4128165","23.0084","0.0005","23.0084","0.0005","18.8119","0.0007","90","","90","","90","","9958.8","0.5","150","0.1","150","0.1","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-28-BPYDC","","","- C76 H30 F24 N2 O32 Zr6 -","- C76 H30 F24 N2 O32 Zr6 -","- C152 H60 F48 N4 O64 Zr12 -","2","0.125","","Cao, Chen-Chen; Chen, Cheng-Xia; Wei, Zhang-Wen; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Wang, Dawei; Su, Cheng-Yong","Catalysis through Dynamic Spacer Installation of Multivariate Functionalities in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","6","2589","2593","10.1021/jacs.8b12372","","x-ray","1.54178","CuKα","","0.088","0.0806","","","0.2242","0.2318","","","","","","1.058","","","","has coordinates,has disorder","221302","2020-10-21","18:00:00",""
"4128166","22.957","0.0016","22.957","0.0016","18.806","0.002","90","","90","","90","","9911.2","1.4","173","2","173","2","","","","","","","","8","P 42/m m c","-P 4c 2","131","LIFM-28-BPYDC-Cu","","","- C78 H33 Cu F24 I N3 O32 Zr6 -","- C78 H33 Cu F24 I N3 O32 Zr6 -","- C156 H66 Cu2 F48 I2 N6 O64 Zr12 -","2","0.125","","Cao, Chen-Chen; Chen, Cheng-Xia; Wei, Zhang-Wen; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Wang, Dawei; Su, Cheng-Yong","Catalysis through Dynamic Spacer Installation of Multivariate Functionalities in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","6","2589","2593","10.1021/jacs.8b12372","","","1.54184","CuKα","","0.1693","0.1438","","","0.3202","0.3361","","","","","","0.943","","","","has coordinates,has disorder","221304","2020-10-21","18:00:00",""
"4128167","23.047","0.0012","23.047","0.0012","18.6989","0.0015","90","","90","","90","","9932.2","1.1","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-80","","","- C96 H43 F24 N3 O32 Zr6 -","- C95.9996 H42.9992 F24 N2.9996 O32 Zr6 -","- C191.999 H85.9984 F48 N5.9992 O64 Zr12 -","2","0.125","","Cao, Chen-Chen; Chen, Cheng-Xia; Wei, Zhang-Wen; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Wang, Dawei; Su, Cheng-Yong","Catalysis through Dynamic Spacer Installation of Multivariate Functionalities in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","6","2589","2593","10.1021/jacs.8b12372","","","1.54184","CuKα","","0.1774","0.1173","","","0.2937","0.3377","","","","","","0.96","","","","has coordinates,has disorder","221305","2020-10-21","18:00:00",""
"4128168","23.0903","0.0007","23.0903","0.0007","18.738","0.0016","90","","90","","90","","9990.4","1","173","2","173","2","","","","","","","","8","P 42/m m c","-P 4c 2","131","LIFM-80(Cu)","","","- C98 H46 Cu F24 I N4 O32 Zr6 -","- C98 H46 Cu F24 I N4 O32 Zr6 -","- C196 H92 Cu2 F48 I2 N8 O64 Zr12 -","2","0.125","","Cao, Chen-Chen; Chen, Cheng-Xia; Wei, Zhang-Wen; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Wang, Dawei; Su, Cheng-Yong","Catalysis through Dynamic Spacer Installation of Multivariate Functionalities in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","6","2589","2593","10.1021/jacs.8b12372","","","1.54178","CuKα","","0.1621","0.1169","","","0.3153","0.3503","","","","","","0.973","","","","has coordinates,has disorder","221306","2020-10-21","18:00:00",""
"4128169","7.7102","0.0002","12.109","0.0004","15.8056","0.0005","90","","90","","90","","1475.66","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","McLaughlin, Michael F.; Massolo, Elisabetta; Liu, Shubin; Johnson, Jeffrey S.","Enantioselective Phenolic α-Oxidation Using H<sub>2</sub>O<sub>2</sub> via an Unusual Double Dearomatization Mechanism.","Journal of the American Chemical Society","2019","141","6","2645","2651","10.1021/jacs.8b13006","","","1.54178","CuKα","","0.0284","0.0283","","","0.0933","0.0935","","","","","","0.932","","","","has coordinates","221307","2020-10-21","18:00:00",""
"4128170","12.448","0.006","16.428","0.008","19.623","0.01","72.87","0.011","78.954","0.012","70.115","0.009","3587","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80.5 H54 B F21.5 Mn N9 O8 -","- C80.7 H54 B F21.5 Mn N9 O8 -","- C161.4 H108 B2 F43 Mn2 N18 O16 -","2","1","","Hunt, Camden; Peterson, Madeline; Anderson, Cassidy; Chang, Tieyan; Wu, Guang; Scheiner, Steve; Ménard, Gabriel","Switchable Aromaticity in an Isostructural Mn Phthalocyanine Series Isolated in Five Separate Redox States.","Journal of the American Chemical Society","2019","141","6","2604","2613","10.1021/jacs.8b12899","","","0.71073","MoKα","","0.2466","0.0723","","","0.1019","0.1437","","","","","","0.93","","","","has coordinates","221308","2020-10-21","18:00:00",""
"4128171","45.776","0.004","45.776","0.004","14.458","0.0012","90","","90","","90","","30296","5","100","2","100","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C138 H90 B2 F40 Mn N9 O8 -","- C138 H90 B2 F40 Mn N9 O8 -","- C1104 H720 B16 F320 Mn8 N72 O64 -","8","0.5","","Hunt, Camden; Peterson, Madeline; Anderson, Cassidy; Chang, Tieyan; Wu, Guang; Scheiner, Steve; Ménard, Gabriel","Switchable Aromaticity in an Isostructural Mn Phthalocyanine Series Isolated in Five Separate Redox States.","Journal of the American Chemical Society","2019","141","6","2604","2613","10.1021/jacs.8b12899","","","0.41328","synchrotron","","0.0734","0.0677","","","0.1884","0.1981","","","","","","0.955","","","","has coordinates","221309","2020-10-21","18:00:00",""
"4128172","14.626","0.003","17.578","0.004","19.915","0.004","87.379","0.007","70.556","0.005","89.075","0.006","4823","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H132 K2 Mn N13 O20 -","- C96 H132 K2 Mn N13 O20 -","- C192 H264 K4 Mn2 N26 O40 -","2","1","","Hunt, Camden; Peterson, Madeline; Anderson, Cassidy; Chang, Tieyan; Wu, Guang; Scheiner, Steve; Ménard, Gabriel","Switchable Aromaticity in an Isostructural Mn Phthalocyanine Series Isolated in Five Separate Redox States.","Journal of the American Chemical Society","2019","141","6","2604","2613","10.1021/jacs.8b12899","","","0.71073","MoKα","","0.1757","0.0758","","","0.1636","0.2103","","","","","","0.998","","","","has coordinates","221310","2020-10-21","18:00:00",""
"4128173","37.0495","0.0015","37.0495","0.0015","14.6013","0.0006","90","","90","","90","","20042.7","1.4","100","2","100","2","","","","","","","","6","I 41","I 4bw","80","","","","- C50 H48.5 Cl4 Mn N9 O8 -","- C50 H46.5 Cl4 Mn N9 O8 -","- C800 H744 Cl64 Mn16 N144 O128 -","16","2","","Hunt, Camden; Peterson, Madeline; Anderson, Cassidy; Chang, Tieyan; Wu, Guang; Scheiner, Steve; Ménard, Gabriel","Switchable Aromaticity in an Isostructural Mn Phthalocyanine Series Isolated in Five Separate Redox States.","Journal of the American Chemical Society","2019","141","6","2604","2613","10.1021/jacs.8b12899","","","0.71073","MoKα","","0.1112","0.0826","","","0.2053","0.2268","","","","","","1.02","","","","has coordinates","221311","2020-10-21","18:00:00",""
"4128174","14.123","0.004","15.53","0.005","16.283","0.005","78.073","0.007","80.064","0.006","89.083","0.007","3441.1","1.8","102","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H92 K Mn N11 O15 -","- C70 H92 K Mn N11 O15 -","- C140 H184 K2 Mn2 N22 O30 -","2","1","","Hunt, Camden; Peterson, Madeline; Anderson, Cassidy; Chang, Tieyan; Wu, Guang; Scheiner, Steve; Ménard, Gabriel","Switchable Aromaticity in an Isostructural Mn Phthalocyanine Series Isolated in Five Separate Redox States.","Journal of the American Chemical Society","2019","141","6","2604","2613","10.1021/jacs.8b12899","","","0.71073","MoKα","","0.2102","0.0818","","","0.1993","0.2593","","","","","","0.94","","","","has coordinates","221312","2020-10-21","18:00:00",""
"4128175","39.403","0.006","39.403","0.006","16.379","0.003","90","","90","","120","","22023","6","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C88 H44 O36 S2 Zr6 -","- C88 H44 O36 S2 Zr6 -","- C264 H132 O108 S6 Zr18 -","3","0.125","","Kato, Satoshi; Otake, Ken-Ichi; Chen, Haoyuan; Akpinar, Isil; Buru, Cassandra T.; Islamoglu, Timur; Snurr, Randall Q.; Farha, Omar K.","Zirconium-Based Metal-Organic Frameworks for the Removal of Protein-Bound Uremic Toxin from Human Serum Albumin.","Journal of the American Chemical Society","2019","141","6","2568","2576","10.1021/jacs.8b12525","","","0.71073","MoKα","","0.1503","0.1162","","","0.32","0.3451","","","","","","1.078","","","","has coordinates,has disorder","221313","2020-10-21","18:00:00",""
"4128176","38.964","0.002","38.964","0.002","16.861","0.011","90","","90","","120","","22169","15","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C88 H44 O36 S2 Zr6 -","- C88 H44 O36 S2 Zr6 -","- C264 H132 O108 S6 Zr18 -","3","0.125","","Kato, Satoshi; Otake, Ken-Ichi; Chen, Haoyuan; Akpinar, Isil; Buru, Cassandra T.; Islamoglu, Timur; Snurr, Randall Q.; Farha, Omar K.","Zirconium-Based Metal-Organic Frameworks for the Removal of Protein-Bound Uremic Toxin from Human Serum Albumin.","Journal of the American Chemical Society","2019","141","6","2568","2576","10.1021/jacs.8b12525","","","0.71073","MoKα","","0.1337","0.098","","","0.2698","0.2989","","","","","","1.025","","","","has coordinates","221314","2020-10-21","18:00:00",""
"4128177","19.1024","0.0002","7.84458","0.00012","32.2257","0.0005","90","","90","","90","","4829.03","0.12","109.95","0.1","109.95","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H18 Mn N O3 -","- C28 H18 Mn N O3 -","- C224 H144 Mn8 N8 O24 -","8","1","","Hammarback, L. Anders; Robinson, Alan; Lynam, Jason M.; Fairlamb, Ian J. S.","Mechanistic Insight into Catalytic Redox-Neutral C-H Bond Activation Involving Manganese(I) Carbonyls: Catalyst Activation, Turnover, and Deactivation Pathways Reveal an Intricate Network of Steps.","Journal of the American Chemical Society","2019","141","6","2316","2328","10.1021/jacs.8b09095","","x-ray","1.54184","CuKα","","0.0637","0.0457","","","0.1022","0.1095","","","","","","1.038","","","","has coordinates","221315","2020-10-21","18:00:00",""
"4128178","12.3048","0.0011","12.3048","0.0011","21.882","0.0019","90","","90","","90","","3313.1","0.5","93","","93","","","","","","","","","8","P 41","P 4w","76","","","","- C32 H34 Cl2 F4 Ir N3 O2 S -","- C32 H34 Cl2 F4 Ir N3 O2 S -","- C128 H136 Cl8 F16 Ir4 N12 O8 S4 -","4","1","","Dub, Pavel A.; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst.","Journal of the American Chemical Society","2019","141","6","2661","2677","10.1021/jacs.8b12961","","","0.71075","MoKα","","0.0248","0.0223","","","0.0461","0.0474","","","","","","0.987","","","","has coordinates","221316","2020-10-21","18:00:00",""
"4128179","14.9367","0.0007","14.9367","0.0007","27.3869","0.0017","90","","90","","120","","5291.5","0.5","123","","123","","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C32 H32 Cl F5 N2 O2 Ru S -","- C32 H32 Cl F5 N2 O2 Ru S -","- C192 H192 Cl6 F30 N12 O12 Ru6 S6 -","6","1","","Dub, Pavel A.; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst.","Journal of the American Chemical Society","2019","141","6","2661","2677","10.1021/jacs.8b12961","","","0.71075","MoKα","","0.0387","0.0369","","","0.076","0.0767","","","","","","1.074","","","","has coordinates","221316","2020-10-21","18:00:00",""
"4128180","15.605","0.002","16.467","0.002","25.342","0.004","90","","90","","90","","6512.1","1.5","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 Cl F5 N2 O2 Ru S -","- C30 H28 Cl F5 N2 O2 Ru S -","- C240 H224 Cl8 F40 N16 O16 Ru8 S8 -","8","2","","Dub, Pavel A.; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst.","Journal of the American Chemical Society","2019","141","6","2661","2677","10.1021/jacs.8b12961","","","0.71075","MoKα","","0.0296","0.0282","","","0.0594","0.0602","","","","","","1.095","","","","has coordinates","221316","2020-10-21","18:00:00",""
"4128181","17.11","0.003","20.318","0.003","7.9383","0.0013","90","","90","","90","","2759.7","0.8","93","","93","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C30 H29 F4 N3 O2 Ru S -","- C30 H29 F4 N3 O2 Ru S -","- C120 H116 F16 N12 O8 Ru4 S4 -","4","1","","Dub, Pavel A.; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst.","Journal of the American Chemical Society","2019","141","6","2661","2677","10.1021/jacs.8b12961","","","0.71075","MoKα","","0.0639","0.0558","","","0.1014","0.106","","","","","","1.072","","","","has coordinates","221316","2020-10-21","18:00:00",""
"4128182","15.499","0.003","16.632","0.004","25.507","0.005","90","","90","","90","","6575","2","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Cl F4 N3 O2 Ru S -","- C30 H30 Cl F4 N3 O2 Ru S -","- C240 H240 Cl8 F32 N24 O16 Ru8 S8 -","8","2","","Dub, Pavel A.; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst.","Journal of the American Chemical Society","2019","141","6","2661","2677","10.1021/jacs.8b12961","","","0.71075","MoKα","","0.1383","0.0996","","","0.2","0.2259","","","","","","1.05","","","","has coordinates","221316","2020-10-21","18:00:00",""
"4128183","35.627","0.002","9.1472","0.0007","9.3099","0.0008","90","","90","","90","","3034","0.4","293","2","293.15","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36 H32 Br2 N2 -","- C36 H32 Br2 N2 -","- C144 H128 Br8 N8 -","4","0.5","","Su, Lebin; Ren, Tianbing; Dong, Jianyu; Liu, Lixin; Xie, Shimin; Yuan, Lin; Zhou, Yongbo; Yin, Shuang-Feng","Cu(I)-Catalyzed 6- endo-dig Cyclization of Terminal Alkynes, 2-Bromoaryl Ketones, and Amides toward 1-Naphthylamines: Applications and Photophysical Properties.","Journal of the American Chemical Society","2019","141","6","2535","2544","10.1021/jacs.8b12495","","","0.71073","MoKα","","0.168","0.1479","","","0.2911","0.2998","","","","","","1.124","","","","has coordinates,has disorder","221317","2020-10-21","18:00:00",""
"4128184","9.4219","0.0002","11.7273","0.0002","20.2438","0.0003","85.146","0.001","82.356","0.001","70.742","0.002","2090.89","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H36 Br2 Cl4 O2 P2 Pd -","- C43 H36 Br2 Cl4 O2 P2 Pd -","- C86 H72 Br4 Cl8 O4 P4 Pd2 -","2","1","","Palani, Vignesh; Hugelshofer, Cedric L.; Kevlishvili, Ilia; Liu, Peng; Sarpong, Richmond","A Short Synthesis of Delavatine A Unveils New Insights into Site-Selective Cross-Coupling of 3,5-Dibromo-2-pyrone.","Journal of the American Chemical Society","2019","141","6","2652","2660","10.1021/jacs.8b13012","","","0.71073","MoKα","","0.0581","0.0448","","","0.1032","0.1085","","","","","","1.02","","","","has coordinates","221318","2020-10-21","18:00:00",""
"4128185","18.1079","0.0001","11.4361","0.0001","19.9348","0.0001","90","","95.68","","90","","4107.9","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H40 Br2 O4 P2 Pd -","- C41 H32 Br2 O2 P2 Pd -","- C164 H128 Br8 O8 P8 Pd4 -","4","1","","Palani, Vignesh; Hugelshofer, Cedric L.; Kevlishvili, Ilia; Liu, Peng; Sarpong, Richmond","A Short Synthesis of Delavatine A Unveils New Insights into Site-Selective Cross-Coupling of 3,5-Dibromo-2-pyrone.","Journal of the American Chemical Society","2019","141","6","2652","2660","10.1021/jacs.8b13012","","","1.54184","CuKα","","0.0694","0.0676","","","0.2063","0.208","","","","","","1.07","","","","has coordinates","221319","2020-10-21","18:00:00",""
"4128186","14.41","0.003","26.353","0.005","25.89","0.005","90","","100.82","0.03","90","","9657","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H134 Gd N7 O9 -","- C104 H134 Gd N7 O9 -","- C416 H536 Gd4 N28 O36 -","4","1","","Galley, Shane S.; Pattenaude, Scott A.; Gaggioli, Carlo Alberto; Qiao, Yusen; Sperling, Joseph M.; Zeller, Matthias; Pakhira, Srimanta; Mendoza-Cortes, Jose L; Schelter, Eric J.; Albrecht-Schmitt, Thomas E; Gagliardi, Laura; Bart, Suzanne C.","Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides.","Journal of the American Chemical Society","2019","141","6","2356","2366","10.1021/jacs.8b10251","","","0.71073","MoKα","","0.0811","0.0375","","","0.0814","0.0925","","","","","","1.02","","","","has coordinates,has disorder","221320","2020-10-21","18:00:00",""
"4128187","13.8196","0.0015","14.4869","0.0016","24.637","0.003","74.072","0.003","78.911","0.003","74.159","0.003","4526","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H130 Ce N3 O9 -","- C98 H130 Ce N3 O9 -","- C196 H260 Ce2 N6 O18 -","2","1","","Galley, Shane S.; Pattenaude, Scott A.; Gaggioli, Carlo Alberto; Qiao, Yusen; Sperling, Joseph M.; Zeller, Matthias; Pakhira, Srimanta; Mendoza-Cortes, Jose L; Schelter, Eric J.; Albrecht-Schmitt, Thomas E; Gagliardi, Laura; Bart, Suzanne C.","Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides.","Journal of the American Chemical Society","2019","141","6","2356","2366","10.1021/jacs.8b10251","","","0.71073","MoKα","","0.0804","0.0564","","","0.0889","0.095","","","","","","1.097","","","","has coordinates,has disorder","221321","2020-10-21","18:00:00",""
"4128188","14.4599","0.0002","26.1103","0.0004","25.9352","0.0005","90","","100.694","0.0014","90","","9621.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H134 N7 Nd O9 -","- C104 H134 N7 Nd O9 -","- C416 H536 N28 Nd4 O36 -","4","1","","Galley, Shane S.; Pattenaude, Scott A.; Gaggioli, Carlo Alberto; Qiao, Yusen; Sperling, Joseph M.; Zeller, Matthias; Pakhira, Srimanta; Mendoza-Cortes, Jose L; Schelter, Eric J.; Albrecht-Schmitt, Thomas E; Gagliardi, Laura; Bart, Suzanne C.","Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides.","Journal of the American Chemical Society","2019","141","6","2356","2366","10.1021/jacs.8b10251","","","1.54178","CuKα","","0.071","0.0614","","","0.1693","0.1815","","","","","","1.167","","","","has coordinates","221322","2020-10-21","18:00:00",""
"4128189","14.4338","0.0007","26.3116","0.0012","25.959","0.0012","90","","100.947","0.002","90","","9679.2","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H134 N7 O9 Sm -","- C104 H134 N7 O9 Sm -","- C416 H536 N28 O36 Sm4 -","4","1","","Galley, Shane S.; Pattenaude, Scott A.; Gaggioli, Carlo Alberto; Qiao, Yusen; Sperling, Joseph M.; Zeller, Matthias; Pakhira, Srimanta; Mendoza-Cortes, Jose L; Schelter, Eric J.; Albrecht-Schmitt, Thomas E; Gagliardi, Laura; Bart, Suzanne C.","Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides.","Journal of the American Chemical Society","2019","141","6","2356","2366","10.1021/jacs.8b10251","","","0.71073","MoKα","","0.0533","0.0355","","","0.0812","0.0902","","","","","","1.027","","","","has coordinates","221323","2020-10-21","18:00:00",""
"4128190","14.45","0.002","26.24","0.004","25.935","0.004","90","","100.667","0.003","90","","9664","2","131","2","131","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Americium (III) Dioxophenoxazine","","","- C104 H134 Am N7 O9 -","- C104 H134 Am N7 O9 -","- C416 H536 Am4 N28 O36 -","4","1","","Galley, Shane S.; Pattenaude, Scott A.; Gaggioli, Carlo Alberto; Qiao, Yusen; Sperling, Joseph M.; Zeller, Matthias; Pakhira, Srimanta; Mendoza-Cortes, Jose L; Schelter, Eric J.; Albrecht-Schmitt, Thomas E; Gagliardi, Laura; Bart, Suzanne C.","Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides.","Journal of the American Chemical Society","2019","141","6","2356","2366","10.1021/jacs.8b10251","","","0.71073","MoKα","","0.0708","0.0535","","","0.1088","0.1137","","","","","","1.262","","","","has coordinates","221324","2020-10-21","18:00:00",""
"4128191","14.3744","0.0007","26.2457","0.0012","25.7763","0.0012","90","","100.691","0.001","90","","9555.7","0.8","131","2","131","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H134 Cf N7 O9 -","- C104 H134 Cf N7 O9 -","- C416 H536 Cf4 N28 O36 -","4","1","","Galley, Shane S.; Pattenaude, Scott A.; Gaggioli, Carlo Alberto; Qiao, Yusen; Sperling, Joseph M.; Zeller, Matthias; Pakhira, Srimanta; Mendoza-Cortes, Jose L; Schelter, Eric J.; Albrecht-Schmitt, Thomas E; Gagliardi, Laura; Bart, Suzanne C.","Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides.","Journal of the American Chemical Society","2019","141","6","2356","2366","10.1021/jacs.8b10251","","","0.71073","MoKα","","0.054","0.0354","","","0.0721","0.0787","","","","","","1.062","","","","has coordinates","221325","2020-10-21","18:00:00",""
"4128192","14.433","0.002","26.291","0.004","25.768","0.004","90","","100.908","0.004","90","","9601","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H134 Bk N7 O9 -","- C104 H134 Bk N7 O9 -","- C416 H536 Bk4 N28 O36 -","4","1","","Galley, Shane S.; Pattenaude, Scott A.; Gaggioli, Carlo Alberto; Qiao, Yusen; Sperling, Joseph M.; Zeller, Matthias; Pakhira, Srimanta; Mendoza-Cortes, Jose L; Schelter, Eric J.; Albrecht-Schmitt, Thomas E; Gagliardi, Laura; Bart, Suzanne C.","Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides.","Journal of the American Chemical Society","2019","141","6","2356","2366","10.1021/jacs.8b10251","","","0.71073","MoKα","","0.0968","0.0542","","","0.1052","0.1191","","","","","","1.016","","","","has coordinates","221326","2020-10-21","18:00:00",""
"4128193","19.467","0.0003","19.467","0.0003","92.8172","0.0014","90","","90","","120","","30461.9","0.8","100","0.1","100","0.1","","","","","","","","6","P 61","P 61","169","","","","- C191 H132 Au10 F12 O6 P8 -","- C185 H132 Au10 F3 P8 -","- C1110 H792 Au60 F18 P48 -","6","1","","Wang, Jia-Qi; Guan, Zong-Jie; Liu, Wen-Di; Yang, Yang; Wang, Quan-Ming","Chiroptical Activity Enhancement via Structural Control: The Chiral Synthesis and Reversible Interconversion of Two Intrinsically Chiral Gold Nanoclusters.","Journal of the American Chemical Society","2019","141","6","2384","2390","10.1021/jacs.8b11096","","x-ray","1.54184","CuKα","","0.1204","0.112","","","0.2514","0.2564","","","","","","1.023","","","","has coordinates","221329","2020-10-21","18:00:00",""
"4128194","17.4001","0.0003","35.5243","0.0005","30.561","0.0006","90","","98.414","0.002","90","","18687.2","0.6","99.99","0.16","99.99","0.16","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C182 H128 Au9 F9 O6 P8 -","- C176 H128 Au9 P8 -","- C704 H512 Au36 P32 -","4","2","","Wang, Jia-Qi; Guan, Zong-Jie; Liu, Wen-Di; Yang, Yang; Wang, Quan-Ming","Chiroptical Activity Enhancement via Structural Control: The Chiral Synthesis and Reversible Interconversion of Two Intrinsically Chiral Gold Nanoclusters.","Journal of the American Chemical Society","2019","141","6","2384","2390","10.1021/jacs.8b11096","","x-ray","1.54184","CuKα","","0.1502","0.1441","","","0.3511","0.3562","","","","","","1.038","","","","has coordinates","221332","2020-10-21","18:00:00",""
"4128195","17.3706","0.0002","35.3798","0.0004","30.3366","0.0004","90","","98.232","0.001","90","","18451.8","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C182 H128 Au9 F9 O6 P8 -","- C176 H128 Au9 P8 -","- C704 H512 Au36 P32 -","4","2","","Wang, Jia-Qi; Guan, Zong-Jie; Liu, Wen-Di; Yang, Yang; Wang, Quan-Ming","Chiroptical Activity Enhancement via Structural Control: The Chiral Synthesis and Reversible Interconversion of Two Intrinsically Chiral Gold Nanoclusters.","Journal of the American Chemical Society","2019","141","6","2384","2390","10.1021/jacs.8b11096","","x-ray","1.54184","CuKα","","0.1018","0.0976","","","0.2581","0.2636","","","","","","1.038","","","","has coordinates","221333","2020-10-21","18:00:00",""
"4128196","19.362","0.0003","19.362","0.0003","92.9191","0.0011","90","","90","","120","","30167.3","0.8","100","0.1","100","0.1","","","","","","","","7","P 65","P 65","170","","","","- C193 H136 Au10 Cl4 F12 O6 P8 -","- C189 H136 Au10 Cl4 F6 O2 P8 -","- C1134 H816 Au60 Cl24 F36 O12 P48 -","6","1","","Wang, Jia-Qi; Guan, Zong-Jie; Liu, Wen-Di; Yang, Yang; Wang, Quan-Ming","Chiroptical Activity Enhancement via Structural Control: The Chiral Synthesis and Reversible Interconversion of Two Intrinsically Chiral Gold Nanoclusters.","Journal of the American Chemical Society","2019","141","6","2384","2390","10.1021/jacs.8b11096","","x-ray","1.54184","CuKα","","0.1171","0.1137","","","0.2581","0.2599","","","","","","1.097","","","","has coordinates","221334","2020-10-21","18:00:00",""
"4128197","11.4109","0.0009","11.6276","0.001","16.4067","0.0013","95.899","0.004","105.824","0.004","106.2","0.003","1973.2","0.3","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H118 Ge2 Si8 -","- C76 H118 Ge2 Si8 -","- C76 H118 Ge2 Si8 -","1","0.5","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71075","MoKα","","0.0696","0.0465","","","0.0832","0.0935","","","","","","1.126","","","","has coordinates","275214","2022-05-08","21:02:07",""
"4128198","9.1996","0.0005","22.4437","0.0009","17.8293","0.001","90","","101.764","0.005","90","","3603.9","0.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H118 Ge2 Si8 -","- C60 H118 Ge2 Si8 -","- C120 H236 Ge4 Si16 -","2","0.5","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71073","MoKα","","0.0741","0.0479","","","0.1169","0.1289","","","","","","1.067","","","","has coordinates,has disorder","221336","2020-10-21","18:00:00",""
"4128199","11.8587","0.0004","16.0807","0.0005","20.2574","0.0008","93.649","0.002","90.967","0.002","95.407","0.002","3837","0.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H118 Ge2 Si8 -","- C68 H118 Ge2 Si8 -","- C136 H236 Ge4 Si16 -","2","1","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71069","MoKα","","0.0482","0.0345","","","0.0848","0.0928","","","","","","1.072","","","","has coordinates,has disorder","221336","2020-10-21","18:00:00",""
"4128200","24.367","0.0006","11.3524","0.0003","29.8468","0.0008","90","","111.303","0.0011","90","","7692.2","0.4","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C76 H118 Ge2 Si8 -","- C76 H118 Ge2 Si8 -","- C304 H472 Ge8 Si32 -","4","0.5","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71075","MoKα","","0.0972","0.0575","","","0.0847","0.0978","","","","","","1.152","","","","has coordinates","221336","2020-10-21","18:00:00",""
"4128201","15.6836","0.0006","21.5547","0.0008","22.032","0.0008","86.122","0.003","82.522","0.003","89.579","0.003","7367.8","0.5","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C61.5 H121.5 Ge2 Si8 -","- C61.5 H121.5 Ge2 Si8 -","- C246 H486 Ge8 Si32 -","4","2","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.78254","Synchrotron","","0.1448","0.0924","","","0.2097","0.2503","","","","","","1.039","","","","has coordinates,has disorder","221336","2020-10-21","18:00:00",""
"4128202","31.226","0.003","11.4284","0.0008","45.092","0.004","90","","100.488","0.005","90","","15823","2","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C71 H125 Ge2 Si8 -","- C71 H125 Ge2 Si8 -","- C568 H1000 Ge16 Si64 -","8","1","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.78255","Synchrotron","","0.1021","0.075","","","0.1754","0.2051","","","","","","1.056","","","","has coordinates,has disorder","221336","2020-10-21","18:00:00",""
"4128203","12.7441","0.0002","15.5507","0.0002","20.9457","0.0003","69.667","0.001","75.386","0.001","68.767","0.001","3589.95","0.09","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H118 Ge2 O2 Si8 -","- C60 H118 Ge2 O2 Si8 -","- C120 H236 Ge4 O4 Si16 -","2","1","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71073","MoKα","","0.0326","0.0263","","","0.0609","0.0634","","","","","","1.018","","","","has coordinates","275200","2022-05-07","03:22:26",""
"4128204","12.4071","0.0003","18.3949","0.0004","19.3957","0.0008","69.422","0.002","72.001","0.002","74.049","0.001","3872.1","0.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H127 Ge2 Si8 -","- C65 H127 Ge2 Si8 -","- C130 H254 Ge4 Si16 -","2","1","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71069","MoKα","","0.0505","0.0396","","","0.0915","0.0997","","","","","","1.069","","","","has coordinates,has disorder","221336","2020-10-21","18:00:00",""
"4128205","17.1325","0.0002","23.6837","0.0003","18.3085","0.0003","90","","98.113","0.001","90","","7354.52","0.18","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H118 Ge2 O2 Si8 -","- C61 H118 Ge2 O2 Si8 -","- C244 H472 Ge8 O8 Si32 -","4","1","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71069","MoKα","","0.0723","0.052","","","0.1306","0.1454","","","","","","1.026","","","","has coordinates,has disorder","275215","2022-05-08","21:05:18",""
"4128206","18.2543","0.0012","24.2181","0.001","20.2933","0.0011","90","","106.345","0.002","90","","8608.8","0.8","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69 H141 Ge2 Si8 -","- C69 H141 Ge2 Si8 -","- C276 H564 Ge8 Si32 -","4","1","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71069","MoKα","","0.1653","0.0953","","","0.2856","0.3436","","","","","","1.07","","","","has coordinates,has disorder","221336","2020-10-21","18:00:00",""
"4128207","39.1358","0.0008","8.3463","0.0001","8.1804","0.0001","90","","90","","90","","2672.04","0.07","200","2","200","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C9 H30 Br7 N3 Pb2 -","- C9 H30 Br7 N3 Pb2 -","- C36 H120 Br28 N12 Pb8 -","4","0.5","","Li, Lina; Liu, Xitao; Li, Yaobin; Xu, Zhiyun; Wu, Zhenyue; Han, Shiguo; Tao, Kewen; Hong, Maochun; Luo, Junhua; Sun, Zhihua","Two-Dimensional Hybrid Perovskite-Type Ferroelectric for Highly Polarization-Sensitive Shortwave Photodetection.","Journal of the American Chemical Society","2019","141","6","2623","2629","10.1021/jacs.8b12948","","","0.71073","MoKα","","0.0295","0.027","","","0.0631","0.0644","","","","","","1.067","","","","has coordinates","221337","2020-10-21","18:00:00",""
"4128208","39.4594","0.0013","8.4214","0.0002","8.3557","0.0002","90","","90","","90","","2776.63","0.13","355","2","355","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C9 H30 Br7 N3 Pb2 -","- C9 H30 Br7 N3 Pb2 -","- C36 H120 Br28 N12 Pb8 -","4","0.25","","Li, Lina; Liu, Xitao; Li, Yaobin; Xu, Zhiyun; Wu, Zhenyue; Han, Shiguo; Tao, Kewen; Hong, Maochun; Luo, Junhua; Sun, Zhihua","Two-Dimensional Hybrid Perovskite-Type Ferroelectric for Highly Polarization-Sensitive Shortwave Photodetection.","Journal of the American Chemical Society","2019","141","6","2623","2629","10.1021/jacs.8b12948","","","1.54184","CuKα","","0.0615","0.0543","","","0.1512","0.1646","","","","","","1.052","","","","has coordinates","221338","2020-10-21","18:00:00",""
"4128209","16.3025","0.0005","8.4734","0.0002","20.1181","0.0007","90","","101.383","0.003","90","","2724.4","0.14","200","0.1","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 Ir N O2 S -","- C27 H42 Ir N O2 S -","- C108 H168 Ir4 N4 O8 S4 -","4","1","","Lei, Honghui; Rovis, Tomislav","Ir-Catalyzed Intermolecular Branch-Selective Allylic C-H Amidation of Unactivated Terminal Olefins.","Journal of the American Chemical Society","2019","141","6","2268","2273","10.1021/jacs.9b00237","","x-ray","0.71073","MoKα","","0.0491","0.0341","","","0.0552","0.0616","","","","","","1.025","","","","has coordinates","221339","2020-10-21","18:00:00",""
"4128210","11.233","0.0015","13.617","0.002","13.798","0.002","84.553","0.006","70.61","0.005","81.993","0.006","1968.7","0.5","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H38 Cl O P Pt -","- C44 H39 Cl2 O P Pt -","- C88 H78 Cl4 O2 P2 Pt2 -","2","1","","Higashi, Takuya; Ando, Hideaki; Kusumoto, Shuhei; Nozaki, Kyoko","Metal-Ligand Cooperative C-H Bond Formation by Cyclopentadienone Platinum Complexes.","Journal of the American Chemical Society","2019","141","6","2247","2250","10.1021/jacs.8b13829","","","0.71075","MoKα","","0.0329","0.031","","","0.0717","0.073","","","","","","1.051","","","","has coordinates","221340","2020-10-21","18:00:00",""
"4128211","9.95","0.003","19.942","0.006","17.567","0.006","90","","104.988","0.004","90","","3367.1","1.8","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","PtMe2_Ptethered","","","- C44 H37 O P Pt -","- C44 H37 O P Pt -","- C176 H148 O4 P4 Pt4 -","4","1","","Higashi, Takuya; Ando, Hideaki; Kusumoto, Shuhei; Nozaki, Kyoko","Metal-Ligand Cooperative C-H Bond Formation by Cyclopentadienone Platinum Complexes.","Journal of the American Chemical Society","2019","141","6","2247","2250","10.1021/jacs.8b13829","","","0.71075","MoKα","","0.0946","0.0864","","","0.1565","0.1598","","","","","","1.301","","","","has coordinates,has disorder","221341","2020-10-21","18:00:00",""
"4128212","12.32","0.003","17.797","0.004","17.235","0.004","90","","91.204","0.003","90","","3778.1","1.5","123","","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H34 F3 O3 P Pt -","- C45 H34 F3 O3 P Pt -","- C180 H136 F12 O12 P4 Pt4 -","4","1","","Higashi, Takuya; Ando, Hideaki; Kusumoto, Shuhei; Nozaki, Kyoko","Metal-Ligand Cooperative C-H Bond Formation by Cyclopentadienone Platinum Complexes.","Journal of the American Chemical Society","2019","141","6","2247","2250","10.1021/jacs.8b13829","","","0.71075","MoKα","","0.0877","0.0626","","","0.1118","0.1258","","","","","","1.087","","","","has coordinates","221342","2020-10-21","18:00:00",""
"4128213","17.5592","0.001","20.0983","0.0012","20.2944","0.0011","90","","99.695","0.001","90","","7059.8","0.7","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H69 B F24 Ir P -","- C74 H69 B F24 Ir P -","- C296 H276 B4 F96 Ir4 P4 -","4","1","","Moreno, Juan J.; Espada, María F; Campos, Jesús; López-Serrano, Joaquín; Macgregor, Stuart A.; Carmona, Ernesto","Base-Promoted, Remote C-H Activation at a Cationic (η<sup>5</sup>-C<sub>5</sub>Me<sub>5</sub>)Ir(III) Center Involving Reversible C-C Bond Formation of Bound C<sub>5</sub>Me<sub>5</sub>.","Journal of the American Chemical Society","2019","141","6","2205","2210","10.1021/jacs.8b11752","","","0.71073","MoKα","","0.0288","0.0239","","","0.0597","0.0623","","","","","","1.043","","","","has coordinates","221343","2020-10-21","18:00:00",""
"4128214","12.8963","0.0005","19.5146","0.0008","13.2343","0.0005","90","","96.898","0.001","90","","3306.5","0.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H54 B Cl F24 Ir P -","- C66 H54 B Cl F24 Ir P -","- C132 H108 B2 Cl2 F48 Ir2 P2 -","2","1","","Moreno, Juan J.; Espada, María F; Campos, Jesús; López-Serrano, Joaquín; Macgregor, Stuart A.; Carmona, Ernesto","Base-Promoted, Remote C-H Activation at a Cationic (η<sup>5</sup>-C<sub>5</sub>Me<sub>5</sub>)Ir(III) Center Involving Reversible C-C Bond Formation of Bound C<sub>5</sub>Me<sub>5</sub>.","Journal of the American Chemical Society","2019","141","6","2205","2210","10.1021/jacs.8b11752","","","0.71073","MoKα","","0.0227","0.0217","","","0.0565","0.0572","","","","","","1.046","","","","has coordinates,has disorder","221344","2020-10-21","18:00:00",""
"4128215","12.4064","0.0002","26.1504","0.0004","22.9127","0.0004","90","","99.377","0.001","90","","7334.3","0.2","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H71 B Cl2 F24 Ir P -","- C75 H71 B Cl2 F24 Ir P -","- C300 H284 B4 Cl8 F96 Ir4 P4 -","4","1","","Moreno, Juan J.; Espada, María F; Campos, Jesús; López-Serrano, Joaquín; Macgregor, Stuart A.; Carmona, Ernesto","Base-Promoted, Remote C-H Activation at a Cationic (η<sup>5</sup>-C<sub>5</sub>Me<sub>5</sub>)Ir(III) Center Involving Reversible C-C Bond Formation of Bound C<sub>5</sub>Me<sub>5</sub>.","Journal of the American Chemical Society","2019","141","6","2205","2210","10.1021/jacs.8b11752","","","0.71073","MoKα","","0.0653","0.0423","","","0.1021","0.1131","","","","","","1.029","","","","has coordinates","221345","2020-10-21","18:00:00",""
"4128216","10.558","0.004","7.3823","0.001","22.505","0.004","90","","100.12","0.02","90","","1726.8","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H49 N5 O8 Si2 -","- C27 H49 N5 O8 Si2 -","- C54 H98 N10 O16 Si4 -","2","1","","Ushimaru, Richiro; Liu, Hung-Wen","Biosynthetic Origin of the Atypical Stereochemistry in the Thioheptose Core of Albomycin Nucleoside Antibiotics.","Journal of the American Chemical Society","2019","141","6","2211","2214","10.1021/jacs.8b12565","","","1.54184","CuKα","","0.1626","0.1036","","","0.2184","0.2609","","","","","","1.01","","","","has coordinates","221346","2020-10-21","18:00:00",""
"4128217","14.7106","0.0004","14.7106","0.0004","14.6565","0.0007","90","","90","","120","","2746.77","0.17","100","2","100","2","","","","","","","","3","P 32","P 32","145","mestranol rotor","(8R,8'R,9S,9'S,13S,13'S,14S,14'S,17S,17'S)-17,17'-(1,4-phenylenebis(ethyne-2,1-diyl))bis(3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol","","- C48 H54 O4 -","- C48 H54 O4 -","- C144 H162 O12 -","3","1","","Pérez-Estrada, Salvador; Rodríguez-Molina, Braulio; Maverick, Emily F.; Khan, Saeed I.; Garcia-Garibay, Miguel A","Throwing in a Monkey Wrench to Test and Determine Geared Motion in the Dynamics of a Crystalline One-Dimensional (1D) Columnar Rotor Array.","Journal of the American Chemical Society","2019","141","6","2413","2420","10.1021/jacs.8b11385","","","0.7749","synchrotron","","0.0507","0.0419","","","0.0932","0.098","","","","","","1.048","","","","has coordinates,has disorder","221347","2020-10-21","18:00:00",""
"4128218","14.758","0.004","14.758","0.004","14.683","0.004","90","","90","","120","","2769.5","1.3","100","2","100","2","","","","","","","","4","P 32","P 32","145","Solid solution 1(1-x)2x, x=0.2 where 1 is the mestranol rotor and 2 is the difluoromestranol rotor","Solid solution of (8R,8'R,9S,9'S,13S,13'S,14S,14'S,17S,17'S)-17,17'-(1,4-phenylenebis(ethyne-2,1-diyl))bis(3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol (80%) and solute, same compound containing 2,3-difluorophenylene, (20%)","","- C48 H53.6 F0.4 O4 -","- C48 H53.6 F0.4 O4 -","- C144 H160.8 F1.2 O12 -","3","1","","Pérez-Estrada, Salvador; Rodríguez-Molina, Braulio; Maverick, Emily F.; Khan, Saeed I.; Garcia-Garibay, Miguel A","Throwing in a Monkey Wrench to Test and Determine Geared Motion in the Dynamics of a Crystalline One-Dimensional (1D) Columnar Rotor Array.","Journal of the American Chemical Society","2019","141","6","2413","2420","10.1021/jacs.8b11385","","","0.71073","MoKα","","0.0712","0.0509","","","0.1082","0.119","","","","","","1.047","","","","has coordinates,has disorder","221348","2020-10-21","18:00:00",""
"4128219","23.454","0.007","11.71","0.003","23.712","0.007","90","","110.676","0.012","90","","6093","3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H94 N2 Si4 Ti4 -","- C54 H94 N2 Si4 Ti4 -","- C216 H376 N8 Si16 Ti16 -","4","0.5","","Shima, Takanori; Luo, Gen; Hu, Shaowei; Luo, Yi; Hou, Zhaomin","Experimental and Computational Studies of Dinitrogen Activation and Hydrogenation at a Tetranuclear Titanium Imide/Hydride Framework.","Journal of the American Chemical Society","2019","141","6","2713","2720","10.1021/jacs.8b13341","","","0.71073","MoKα","","0.1105","0.0695","","","0.1808","0.2101","","","","","","1.028","","","","has coordinates","221349","2020-10-21","18:00:00",""
"4128220","24.388","0.005","12.082","0.002","21.574","0.004","90","","108.838","0.003","90","","6016.4","1.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H94 N4 Si4 Ti4 -","- C54 H94 N4 Si4 Ti4 -","- C216 H376 N16 Si16 Ti16 -","4","0.5","","Shima, Takanori; Luo, Gen; Hu, Shaowei; Luo, Yi; Hou, Zhaomin","Experimental and Computational Studies of Dinitrogen Activation and Hydrogenation at a Tetranuclear Titanium Imide/Hydride Framework.","Journal of the American Chemical Society","2019","141","6","2713","2720","10.1021/jacs.8b13341","","","0.71073","MoKα","","0.109","0.0503","","","0.0939","0.1059","","","","","","0.827","","","","has coordinates","221349","2020-10-21","18:00:00",""
"4128221","17.2175","0.0007","17.2175","0.0007","41.838","0.002","90","","90","","90","","12402.6","0.9","100","2","100.02","","","","","","","","","5","P 43","P 4cw","78","","","","- C40 H66 N2 O2 Zr -","- C40 H66 N2 O2 Zr -","- C480 H792 N24 O24 Zr12 -","12","3","","Gao, Yanshan; Christianson, Matthew D.; Wang, Yang; Chen, Jiazhen; Marshall, Steve; Klosin, Jerzy; Lohr, Tracy L.; Marks, Tobin J.","Unexpected Precatalyst σ-Ligand Effects in Phenoxyimine Zr-Catalyzed Ethylene/1-Octene Copolymerizations.","Journal of the American Chemical Society","2019","141","19","7822","7830","10.1021/jacs.9b01445","","","0.71073","MoKα","","0.0897","0.0706","","","0.1616","0.1717","","","","","","1.086","","","","has coordinates","221350","2020-10-21","18:00:00",""
"4128222","9.5295","0.0019","12.293","0.003","13.196","0.003","103.64","0.03","98.59","0.03","105.65","0.03","1408.6","0.7","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H48 N4 O Zr -","- C25 H48 N4 O Zr -","- C50 H96 N8 O2 Zr2 -","2","1","","Gao, Yanshan; Christianson, Matthew D.; Wang, Yang; Chen, Jiazhen; Marshall, Steve; Klosin, Jerzy; Lohr, Tracy L.; Marks, Tobin J.","Unexpected Precatalyst σ-Ligand Effects in Phenoxyimine Zr-Catalyzed Ethylene/1-Octene Copolymerizations.","Journal of the American Chemical Society","2019","141","19","7822","7830","10.1021/jacs.9b01445","","","0.71073","MoKα","","0.0397","0.0358","","","0.0969","0.0999","","","","","","1.067","","","","has coordinates,has disorder","221351","2020-10-21","18:00:00",""
"4128223","20.2677","0.0012","12.6644","0.0008","19.577","0.0012","90","","100.055","0.003","90","","4947.8","0.5","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H42 Al N O -","- C23.5 H42 Al N O -","- C188 H336 Al8 N8 O8 -","8","1","","Gao, Yanshan; Christianson, Matthew D.; Wang, Yang; Chen, Jiazhen; Marshall, Steve; Klosin, Jerzy; Lohr, Tracy L.; Marks, Tobin J.","Unexpected Precatalyst σ-Ligand Effects in Phenoxyimine Zr-Catalyzed Ethylene/1-Octene Copolymerizations.","Journal of the American Chemical Society","2019","141","19","7822","7830","10.1021/jacs.9b01445","","","1.54178","CuKα","","0.0453","0.0443","","","0.1121","0.1128","","","","","","1.126","","","","has coordinates,has disorder","221352","2020-10-21","18:00:00",""
"4128224","22.969","0.002","18.6514","0.0016","13.3922","0.0012","90","","124.639","0.002","90","","4720.3","0.7","100","2","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H72 N4 O2 Zr -","- C42 H72 N4 O2 Zr -","- C168 H288 N16 O8 Zr4 -","4","0.5","","Gao, Yanshan; Christianson, Matthew D.; Wang, Yang; Chen, Jiazhen; Marshall, Steve; Klosin, Jerzy; Lohr, Tracy L.; Marks, Tobin J.","Unexpected Precatalyst σ-Ligand Effects in Phenoxyimine Zr-Catalyzed Ethylene/1-Octene Copolymerizations.","Journal of the American Chemical Society","2019","141","19","7822","7830","10.1021/jacs.9b01445","","","1.54178","CuKα","","0.0244","0.0241","","","0.0614","0.0616","","","","","","1.052","","","","has coordinates","221353","2020-10-21","18:00:00",""
"4128225","34.428","0.004","7.6685","0.0008","20.142","0.002","90","","102.221","0.003","90","","5197.2","1","100","2","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H76 Cl2 N2 O2 Zr -","- C52 H74.91 Cl2 N2 O2 Zr -","- C208 H299.64 Cl8 N8 O8 Zr4 -","4","0.5","","Gao, Yanshan; Christianson, Matthew D.; Wang, Yang; Chen, Jiazhen; Marshall, Steve; Klosin, Jerzy; Lohr, Tracy L.; Marks, Tobin J.","Unexpected Precatalyst σ-Ligand Effects in Phenoxyimine Zr-Catalyzed Ethylene/1-Octene Copolymerizations.","Journal of the American Chemical Society","2019","141","19","7822","7830","10.1021/jacs.9b01445","","","1.54178","CuKα","","0.0342","0.0326","","","0.0811","0.0827","","","","","","1.071","","","","has coordinates,has disorder","221354","2020-10-21","18:00:00",""
"4128226","7.1091","0.0003","11.7371","0.0004","9.2881","0.0003","90","","110.232","0.001","90","","727.18","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","1","","Zhou, Zhiyao; Gao, Alison X.; Snyder, Scott A.","Total Synthesis of (+)-Arborisidine.","Journal of the American Chemical Society","2019","141","19","7715","7720","10.1021/jacs.9b03248","","","0.71073","MoKα","","0.0386","0.0349","","","0.086","0.0882","","","","","","1.097","","","","has coordinates","221355","2020-10-21","18:00:00",""
"4128227","9.1101","0.0014","18.432","0.003","18.462","0.003","90","","98.345","0.005","90","","3067.3","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C152 H160 N16 O16 -","8","2","","Zhou, Zhiyao; Gao, Alison X.; Snyder, Scott A.","Total Synthesis of (+)-Arborisidine.","Journal of the American Chemical Society","2019","141","19","7715","7720","10.1021/jacs.9b03248","","","0.71073","MoKα","","0.0566","0.0392","","","0.0918","0.1005","","","","","","1.028","","","","has coordinates","221356","2020-10-21","18:00:00",""
"4128228","15.1133","0.0006","21.356","0.0008","12.8671","0.0009","90","","115.83","0.001","90","","3738.1","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 F3 N2 O3 -","- C21 H21 F3 N2 O3 -","- C168 H168 F24 N16 O24 -","8","1","","Zhou, Zhiyao; Gao, Alison X.; Snyder, Scott A.","Total Synthesis of (+)-Arborisidine.","Journal of the American Chemical Society","2019","141","19","7715","7720","10.1021/jacs.9b03248","","","0.71073","MoKα","","0.0474","0.0382","","","0.0947","0.1012","","","","","","1.023","","","","has coordinates","221357","2020-10-21","18:00:00",""
"4128229","6.9349","0.0003","7.4039","0.0003","13.677","0.0005","90","","91.735","0.002","90","","701.93","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C36 H40 N4 O2 -","2","1","","Zhou, Zhiyao; Gao, Alison X.; Snyder, Scott A.","Total Synthesis of (+)-Arborisidine.","Journal of the American Chemical Society","2019","141","19","7715","7720","10.1021/jacs.9b03248","","","0.71073","MoKα","","0.0348","0.031","","","0.0749","0.0774","","","","","","1.061","","","","has coordinates","221358","2020-10-21","18:00:00",""
"4128230","12.9009","0.001","12.9009","0.001","18.2641","0.001","90","","90","","120","","2632.5","0.3","150","2","150.15","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C24 H12 Fe3 N3 O16 -","- C24 H12 Fe3 N3 O16 -","- C48 H24 Fe6 N6 O32 -","2","0.0833333","","Wei, Yong-Sheng; Zhang, Mei; Kitta, Mitsunori; Liu, Zheng; Horike, Satoshi; Xu, Qiang","A Single-Crystal Open-Capsule Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","19","7906","7916","10.1021/jacs.9b02417","","","0.71073","MoKα","","0.0833","0.0626","","","0.2096","0.2274","","","","","","1.159","","","","has coordinates","221359","2020-10-21","18:00:00",""
"4128231","16.8853","0.0004","16.8853","0.0004","14.8612","0.0005","90","","90","","120","","3669.46","0.17","150","2","150.15","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C44 H20 Fe3 N7 O13 -","- C44.0001 H20.0013 Fe3 N6.9999 O13 -","- C88.0002 H40.0026 Fe6 N13.9998 O26 -","2","0.0833333","","Wei, Yong-Sheng; Zhang, Mei; Kitta, Mitsunori; Liu, Zheng; Horike, Satoshi; Xu, Qiang","A Single-Crystal Open-Capsule Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","19","7906","7916","10.1021/jacs.9b02417","","","0.71073","MoKα","","0.0465","0.0416","","","0.1281","0.1318","","","","","","1.066","","","","has coordinates,has disorder","221360","2020-10-21","18:00:00",""
"4128232","26.274","0.003","26.274","0.003","26.274","0.003","90","","90","","90","","18138","4","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C144 H96 Cu24 O120 -","- C144 H96 Cu24 O120 -","- C288 H192 Cu48 O240 -","2","0.0104167","","Song, Dahae; Bae, Jinhee; Ji, Hoon; Kim, Min-Bum; Bae, Youn-Sang; Park, Kyo Sung; Moon, Dohyun; Jeong, Nak Cheon","Coordinative Reduction of Metal Nodes Enhances the Hydrolytic Stability of a Paddlewheel Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","19","7853","7864","10.1021/jacs.9b02114","","","0.61","synchrotron","","0.0399","0.0342","","","0.0977","0.1","","","","","","1.111","","","","has coordinates","221361","2020-10-21","18:00:00",""
"4128233","26.303","0.003","26.303","0.003","26.303","0.003","90","","90","","90","","18198","4","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C209.6 H146.4 Cu28 N32.8 O96 -","- C209.6 H146.41 Cu28 N32.8 O96 -","- C419.2 H292.819 Cu56 N65.6 O192 -","2","0.0104167","","Song, Dahae; Bae, Jinhee; Ji, Hoon; Kim, Min-Bum; Bae, Youn-Sang; Park, Kyo Sung; Moon, Dohyun; Jeong, Nak Cheon","Coordinative Reduction of Metal Nodes Enhances the Hydrolytic Stability of a Paddlewheel Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","19","7853","7864","10.1021/jacs.9b02114","","","0.61","synchrotron","","0.0721","0.0696","","","0.2386","0.2407","","","","","","1.188","","","","has coordinates","221362","2020-10-21","18:00:00",""
"4128234","25.075","0.0002","25.075","0.0002","57.2801","0.0007","90","","90","","120","","31190.1","0.5","123","2","123","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C87 H75 Mo9 N3 O31 P4 -","- C87 H75 Mo9 N3 O31 P4 -","- C1044 H900 Mo108 N36 O372 P48 -","12","0.333333","","Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands.","Journal of the American Chemical Society","2019","141","19","7687","7692","10.1021/jacs.9b02541","","","0.71069","MoKα","","0.0801","0.056","","","0.1641","0.1865","","","","","","1.075","","","","has coordinates","221363","2020-10-21","18:00:00",""
"4128235","18.4306","0.0002","21.7192","0.0002","26.7317","0.0003","90","","90","","90","","10700.6","0.19","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C63 H15 Mo9 N6 O31 P -","- C63 H15 Mo9 N6 O31 P -","- C252 H60 Mo36 N24 O124 P4 -","4","1","","Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands.","Journal of the American Chemical Society","2019","141","19","7687","7692","10.1021/jacs.9b02541","","","0.71069","MoKα","","0.0603","0.0538","","","0.1612","0.1689","","","","","","1.068","","","","has coordinates","221363","2020-10-21","18:00:00",""
"4128236","34.5995","0.0003","21.4956","0.0002","27.1188","0.0002","90","","90","","90","","20169.3","0.3","123","2","123","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C94 H24 Mo18 N10 O62 P2 -","- C94 H24 Mo18 N10 O62 P2 -","- C376 H96 Mo72 N40 O248 P8 -","4","0.5","","Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands.","Journal of the American Chemical Society","2019","141","19","7687","7692","10.1021/jacs.9b02541","","","0.71069","MoKα","","0.1059","0.0816","","","0.2441","0.2702","","","","","","1.03","","","","has coordinates","221363","2020-10-21","18:00:00",""
"4128237","38.3334","0.0002","33.8624","0.0003","42.0755","0.0003","90","","101.282","0.001","90","","53561.2","0.7","123","2","123","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C320 H261 Cl0 Mo36 N21 O125 P13 -","- C320 H261 Mo36 N21 O125 P13 -","- C1280 H1044 Mo144 N84 O500 P52 -","4","1","","Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands.","Journal of the American Chemical Society","2019","141","19","7687","7692","10.1021/jacs.9b02541","","","0.71069","MoKα","","0.0782","0.0622","","","0.175","0.1951","","","","","","1.011","","","","has coordinates","221363","2020-10-21","18:00:00",""
"4128238","30.0613","0.0002","27.2811","0.0002","67.4589","0.0007","90","","98.1644","0.0003","90","","54762.7","0.8","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C280 H218 Mo36 N20 O126 P11 -","- C280 H218 Mo36 N20 O126 P11 -","- C1120 H872 Mo144 N80 O504 P44 -","4","1","","Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands.","Journal of the American Chemical Society","2019","141","19","7687","7692","10.1021/jacs.9b02541","","","0.71069","MoKα","","0.1398","0.1012","","","0.27","0.3085","","","","","","1.036","","","","has coordinates,has disorder","221363","2020-10-21","18:00:00",""
"4128239","21.3407","0.0014","15.3842","0.0014","21.633","0.002","90","","113.749","0.006","90","","6500.9","1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H43 F24 N15 Ni2 P4 -","- C60 H40 F24 N15 Ni2 P4 -","- C240 H160 F96 N60 Ni8 P16 -","4","0.5","","Ma, Xiaozhou; Suturina, Elizaveta A.; Rouzières, Mathieu; Platunov, Mikhail; Wilhelm, Fabrice; Rogalev, Andrei; Clérac, Rodolphe; Dechambenoit, Pierre","Using Redox-Active π Bridging Ligand as a Control Switch of Intramolecular Magnetic Interactions.","Journal of the American Chemical Society","2019","141","19","7721","7725","10.1021/jacs.9b03044","","","0.71073","MoKα","","0.1134","0.0693","","","0.1759","0.2008","","","","","","1.104","","","","has coordinates","221364","2020-10-21","18:00:00",""
"4128240","33.43","0.003","12.9935","0.0016","16.4397","0.0019","90","","114.415","0.005","90","","6502.4","1.3","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H54 F18 N12 Ni2 O2 P3 -","- C62 H54 F18 N12 Ni2 O2 P3 -","- C248 H216 F72 N48 Ni8 O8 P12 -","4","0.5","","Ma, Xiaozhou; Suturina, Elizaveta A.; Rouzières, Mathieu; Platunov, Mikhail; Wilhelm, Fabrice; Rogalev, Andrei; Clérac, Rodolphe; Dechambenoit, Pierre","Using Redox-Active π Bridging Ligand as a Control Switch of Intramolecular Magnetic Interactions.","Journal of the American Chemical Society","2019","141","19","7721","7725","10.1021/jacs.9b03044","","","0.71073","MoKα","","0.0929","0.0596","","","0.154","0.1759","","","","","","1.098","","","","has coordinates,has disorder","221365","2020-10-21","18:00:00",""
"4128241","8.9028","0.0006","20.1557","0.0012","15.2276","0.0011","90","","98.903","0.003","90","","2699.6","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H44 F12 N12 Ni2 O P2 -","- C54 H34 F12 N12 Ni2 P2 -","- C108 H68 F24 N24 Ni4 P4 -","2","0.5","","Ma, Xiaozhou; Suturina, Elizaveta A.; Rouzières, Mathieu; Platunov, Mikhail; Wilhelm, Fabrice; Rogalev, Andrei; Clérac, Rodolphe; Dechambenoit, Pierre","Using Redox-Active π Bridging Ligand as a Control Switch of Intramolecular Magnetic Interactions.","Journal of the American Chemical Society","2019","141","19","7721","7725","10.1021/jacs.9b03044","","","0.71073","MoKα","","0.0967","0.0653","","","0.1507","0.1629","","","","","","1.09","","","","has coordinates","221366","2020-10-21","18:00:00",""
"4128242","22.2715","0.0004","7.77098","0.0001","21.1732","0.0003","90","","108.487","","90","","3475.37","0.09","93","","93","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C39 H16 B Cl F20 -","- C39 H16 B Cl F20 -","- C156 H64 B4 Cl4 F80 -","4","1","","Nakajima, Misuzu; Miyamoto, Kazunori; Hirano, Keiichi; Uchiyama, Masanobu","Diaryl-λ<sup>3</sup>-chloranes: Versatile Synthesis and Unique Reactivity as Aryl Cation Equivalent.","Journal of the American Chemical Society","2019","141","16","6499","6503","10.1021/jacs.9b02436","","","1.54187","CuKα","","","0.034","","","","0.0717","","","","","","1.161","","","","has coordinates","221367","2020-10-21","18:00:00",""
"4128243","13.5363","0.0009","15.7638","0.0013","17.5101","0.0013","75.265","0.007","78.398","0.006","86.169","0.006","3539.2","0.5","100","","100","","","","","","","","","2","P -1","-P 1","2","","","","- C73 H12 -","- C73 H12 -","- C292 H48 -","4","2","","Tian, Han-Rui; Chen, Miao-Miao; Wang, Kai; Chen, Zuo-Chang; Fu, Chao-Yong; Zhang, Qianyan; Li, Shu-Hui; Deng, Shun-Liu; Yao, Yang-Rong; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","An Unconventional Hydrofullerene C<sub>66</sub>H<sub>4</sub> with Symmetric Heptagons Retrieved in Low-Pressure Combustion.","Journal of the American Chemical Society","2019","141","16","6651","6657","10.1021/jacs.9b01638","","x-ray","1.54184","CuKα","","0.1469","0.1094","","","0.3281","0.3511","","","","","","1.108","","","","has coordinates,has disorder","221368","2020-10-21","18:00:00",""
"4128244","10.5145","0.0002","12.1928","0.0003","29.5112","0.0007","90","","90","","90","","3783.37","0.15","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F3 N2 -","- C22 H19 F3 N2 -","- C176 H152 F24 N16 -","8","2","","Kwon, Yongseok; Li, Junqi; Reid, Jolene P.; Crawford, Jennifer M.; Jacob, Roxane; Sigman, Matthew S.; Toste, F. Dean; Miller, Scott J.","Disparate Catalytic Scaffolds for Atroposelective Cyclodehydration.","Journal of the American Chemical Society","2019","141","16","6698","6705","10.1021/jacs.9b01911","","","1.54184","CuKα","","0.037","0.0323","","","0.0769","0.0798","","","","","","1.052","","","","has coordinates","221369","2020-10-21","18:00:00",""
"4128245","11.3484","0.0006","13.5641","0.0006","16.0193","0.0016","93.97","0.005","107.494","0.007","110.87","0.005","2154.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Azo-TxSB 1","","- C50 H42 F24 N14 P4 -","- C50 H42 F24 N14 P4 -","- C50 H42 F24 N14 P4 -","1","0.5","","Chi, Xiaodong; Cen, Wanglai; Queenan, Jack A.; Long, Lingliang; Lynch, Vincent M.; Khashab, Niveen M.; Sessler, Jonathan L.","Azobenzene-Bridged Expanded ""Texas-sized"" Box: A Dual-Responsive Receptor for Aryl Dianion Encapsulation.","Journal of the American Chemical Society","2019","141","16","6468","6472","10.1021/jacs.9b01241","","","1.54184","CuKα","","0.0985","0.0766","","","0.2073","0.2265","","","","","","1.048","","","","has coordinates","221370","2020-10-21","18:00:00",""
"4128246","13.4584","0.0005","13.8392","0.0005","22.8632","0.0009","90","","97.809","0.002","90","","4218.9","0.3","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H51 F3 Fe N8 O4 S -","- C44 H51 F3 Fe N8 O4 S -","- C176 H204 F12 Fe4 N32 O16 S4 -","4","1","","Drummond, Michael J.; Ford, Courtney L.; Gray, Danielle L.; Popescu, Codrina V.; Fout, Alison R.","Radical Rebound Hydroxylation Versus H-Atom Transfer in Non-Heme Iron(III)-Hydroxo Complexes: Reactivity and Structural Differentiation.","Journal of the American Chemical Society","2019","141","16","6639","6650","10.1021/jacs.9b01516","","","0.71073","MoKα","","0.045","0.0355","","","0.0904","0.1009","","","","","","1.105","","","","has coordinates","221371","2020-10-21","18:00:00",""
"4128247","18.2527","0.0004","21.281","0.0004","24.4192","0.0005","90","","90","","90","","9485.3","0.3","100","2","99.98","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C45 H50 F6 Fe N8 O6 S2 -","- C45 H50 F6 Fe N8 O6 S2 -","- C360 H400 F48 Fe8 N64 O48 S16 -","8","1","","Drummond, Michael J.; Ford, Courtney L.; Gray, Danielle L.; Popescu, Codrina V.; Fout, Alison R.","Radical Rebound Hydroxylation Versus H-Atom Transfer in Non-Heme Iron(III)-Hydroxo Complexes: Reactivity and Structural Differentiation.","Journal of the American Chemical Society","2019","141","16","6639","6650","10.1021/jacs.9b01516","","x-ray","0.71073","MoKα","","0.0716","0.0568","","","0.1381","0.1497","","","","","","1.031","","","","has coordinates,has disorder","221372","2020-10-21","18:00:00",""
"4128248","12.6444","0.0005","15.572","0.0007","20.5734","0.0009","90","","97.7","0.001","90","","4014.3","0.3","100","2","100.01","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46.96 Cl0.04 F3 Fe N7 O3.96 S -","- C42 H46.961 Cl0.039 F3 Fe N7 O3.961 S -","- C168 H187.844 Cl0.156 F12 Fe4 N28 O15.844 S4 -","4","1","","Drummond, Michael J.; Ford, Courtney L.; Gray, Danielle L.; Popescu, Codrina V.; Fout, Alison R.","Radical Rebound Hydroxylation Versus H-Atom Transfer in Non-Heme Iron(III)-Hydroxo Complexes: Reactivity and Structural Differentiation.","Journal of the American Chemical Society","2019","141","16","6639","6650","10.1021/jacs.9b01516","","","0.71073","MoKα","","0.0443","0.0395","","","0.1004","0.1032","","","","","","1.053","","","","has coordinates,has disorder","221373","2020-10-21","18:00:00",""
"4128249","13.5964","0.0007","9.6432","0.0005","17.6757","0.0009","90","","90","","90","","2317.5","0.2","100","2","100","","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C43 H48 F6 Fe N7 O7 S2 -","- C43 H48 F6 Fe N7 O7 S2 -","- C86 H96 F12 Fe2 N14 O14 S4 -","2","0.5","","Drummond, Michael J.; Ford, Courtney L.; Gray, Danielle L.; Popescu, Codrina V.; Fout, Alison R.","Radical Rebound Hydroxylation Versus H-Atom Transfer in Non-Heme Iron(III)-Hydroxo Complexes: Reactivity and Structural Differentiation.","Journal of the American Chemical Society","2019","141","16","6639","6650","10.1021/jacs.9b01516","","x-ray","0.71073","MoKα","","0.0687","0.0682","","","0.165","0.1652","","","","","","1.117","","","","has coordinates,has disorder","287929","2023-12-01","12:09:56",""
"4128250","24.1058","0.0007","14.1272","0.0004","13.1675","0.0004","90","","107.411","0.001","90","","4278.7","0.2","100","2","99.99","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C42 H49 Cl2 Fe N7 O -","- C42 H49 Cl2 Fe N7 O -","- C168 H196 Cl8 Fe4 N28 O4 -","4","0.5","","Drummond, Michael J.; Ford, Courtney L.; Gray, Danielle L.; Popescu, Codrina V.; Fout, Alison R.","Radical Rebound Hydroxylation Versus H-Atom Transfer in Non-Heme Iron(III)-Hydroxo Complexes: Reactivity and Structural Differentiation.","Journal of the American Chemical Society","2019","141","16","6639","6650","10.1021/jacs.9b01516","","","0.71073","MoKα","","0.0372","0.0344","","","0.0874","0.0893","","","","","","1.072","","","","has coordinates","221375","2020-10-21","18:00:00",""
"4128251","21.1703","0.0005","21.1703","0.0005","22.7806","0.0006","90","","90","","120","","8842","0.4","100","","100","","","","","","","","","6","P 61","P 61","169","","","","- C54 H58 F N O19 S -","- C54 H58 F N O19 S -","- C324 H348 F6 N6 O114 S6 -","6","1","","Lo, Hong-Jay; Krasnova, Larissa; Dey, Supriya; Cheng, Ting; Liu, Haitian; Tsai, Tsung-I; Wu, Kevin Binchia; Wu, Chung-Yi; Wong, Chi-Huey","Synthesis of Sialidase-Resistant Oligosaccharide and Antibody Glycoform Containing α2,6-Linked 3F<sup>ax</sup>-Neu5Ac.","Journal of the American Chemical Society","2019","141","16","6484","6488","10.1021/jacs.9b01991","","x-ray","1.54178","CuKα","","0.0386","0.0343","","","0.0933","0.097","","","","","","1.035","","","","has coordinates,has disorder","221376","2020-10-21","18:00:00",""
"4128252","14.276","0.0013","43.86","0.004","26.515","0.002","90","","101.185","0.003","90","","16287","2","103","2","103","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C144 H184 F12 N4 O16 P8 Pt4 S4 -","- C144 H184 F12 N4 O16 P8 Pt4 S4 -","- C576 H736 F48 N16 O64 P32 Pt16 S16 -","4","1","","Shi, Bingbing; Liu, Yuezhou; Zhu, Huangtianzhi; Vanderlinden, Ryan T.; Shangguan, Liqing; Ni, Ruidong; Acharyya, Koushik; Tang, Jian-Hong; Zhou, Zhixuan; Li, Xiaopeng; Huang, Feihe; Stang, Peter J.","Spontaneous Formation of a Cross-Linked Supramolecular Polymer Both in the Solid State and in Solution, Driven by Platinum(II) Metallacycle-Based Host-Guest Interactions.","Journal of the American Chemical Society","2019","141","16","6494","6498","10.1021/jacs.9b02281","","","0.71073","MoKα","","0.1174","0.1001","","","0.2169","0.2254","","","","","","1.228","","","","has coordinates,has disorder","221377","2020-10-21","18:00:00",""
"4128253","8.8554","0.0003","8.816","0.0003","50.7233","0.0017","90","","92.385","0.002","90","","3956.5","0.2","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 F12 N7 O2 P2 Ru -","- C36 H37 F12 N7 O2 P2 Ru -","- C144 H148 F48 N28 O8 P8 Ru4 -","4","1","","Gonell, Sergio; Massey, Marsha D.; Moseley, Ian P.; Schauer, Cynthia K.; Muckerman, James T.; Miller, Alexander J. M.","The Trans Effect in Electrocatalytic CO<sub>2</sub> Reduction: Mechanistic Studies of Asymmetric Ruthenium Pyridyl-Carbene Catalysts.","Journal of the American Chemical Society","2019","141","16","6658","6671","10.1021/jacs.9b01735","","","1.54178","CuKα","","0.0462","0.0365","","","0.079","0.0832","","","","","","1.048","","","","has coordinates","221378","2020-10-21","18:00:00",""
"4128254","13.637","0.0006","17.224","0.0007","16.2229","0.0007","90","","109.735","0.001","90","","3586.7","0.3","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 F12 N6 O2 P2 Ru -","- C32 H28 F12 N6 O2 P2 Ru -","- C128 H112 F48 N24 O8 P8 Ru4 -","4","1","","Gonell, Sergio; Massey, Marsha D.; Moseley, Ian P.; Schauer, Cynthia K.; Muckerman, James T.; Miller, Alexander J. M.","The Trans Effect in Electrocatalytic CO<sub>2</sub> Reduction: Mechanistic Studies of Asymmetric Ruthenium Pyridyl-Carbene Catalysts.","Journal of the American Chemical Society","2019","141","16","6658","6671","10.1021/jacs.9b01735","","","1.54178","CuKα","","0.0528","0.0408","","","0.1025","0.1169","","","","","","1.13","","","","has coordinates,has disorder","221378","2020-10-21","18:00:00",""
"4128255","14.0654","0.0011","18.8075","0.0013","15.5986","0.0011","90","","114.047","0.004","90","","3768.3","0.5","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36.08 H19 F6 N6 O10 Ru S2 -","- C36.0833 H19 F6 N6 O10 Ru S2 -","- C144.333 H76 F24 N24 O40 Ru4 S8 -","4","1","","Gonell, Sergio; Massey, Marsha D.; Moseley, Ian P.; Schauer, Cynthia K.; Muckerman, James T.; Miller, Alexander J. M.","The Trans Effect in Electrocatalytic CO<sub>2</sub> Reduction: Mechanistic Studies of Asymmetric Ruthenium Pyridyl-Carbene Catalysts.","Journal of the American Chemical Society","2019","141","16","6658","6671","10.1021/jacs.9b01735","","","1.54178","CuKα","","0.0556","0.0465","","","0.1168","0.1231","","","","","","1.063","","","","has coordinates,has disorder","221378","2020-10-21","18:00:00",""
"4128256","13.8835","0.0002","13.7039","0.0003","11.1974","0.0002","90","","96.2374","0.0017","90","","2117.78","0.07","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 O3 -","- C26 H30 O3 -","- C104 H120 O12 -","4","1","","Zhu, Yuxiang; Colomer, Ignacio; Thompson, Amber L.; Donohoe, Timothy J.","HFIP Solvent Enables Alcohols To Act as Alkylating Agents in Stereoselective Heterocyclization.","Journal of the American Chemical Society","2019","141","16","6489","6493","10.1021/jacs.9b02198","","","1.54184","CuKα","","0.05","0.0418","","0.1167","0.1079","0.1167","","","","","","0.9961","","","","has coordinates","221379","2020-10-21","18:00:00",""
"4128257","26.112","0.0003","7.1996","0.0001","29.268","0.0003","90","","94.2377","0.001","90","","5487.22","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 I O3 -","- C33 H29 I O3 -","- C264 H232 I8 O24 -","8","2","","Zhu, Yuxiang; Colomer, Ignacio; Thompson, Amber L.; Donohoe, Timothy J.","HFIP Solvent Enables Alcohols To Act as Alkylating Agents in Stereoselective Heterocyclization.","Journal of the American Chemical Society","2019","141","16","6489","6493","10.1021/jacs.9b02198","","","0.6889","Synchrotron","","0.1101","0.0818","","0.0916","0.0857","0.0847","","","","","","1.0369","","","","has coordinates","221379","2020-10-21","18:00:00",""
"4128258","7.1504","0.0006","13.4353","0.0011","27.972","0.002","80.848","0.004","87.913","0.004","83.603","0.004","2636","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C22 H23 Br F6 Mn N4 O3 P -","- C22 H23 Br F6 Mn N4 O3 P -","- C88 H92 Br4 F24 Mn4 N16 O12 P4 -","4","2","","Sung, Siyoung; Li, Xiaohui; Wolf, Lucienna M.; Meeder, Jeremy R.; Bhuvanesh, Nattamai S.; Grice, Kyle A.; Panetier, Julien A.; Nippe, Michael","Synergistic Effects of Imidazolium-Functionalization on fac-Mn(CO)<sub>3</sub> Bipyridine Catalyst Platforms for Electrocatalytic Carbon Dioxide Reduction.","Journal of the American Chemical Society","2019","141","16","6569","6582","10.1021/jacs.8b13657","","","1.54178","CuKα","","0.1243","0.1186","","","0.3174","0.335","","","","","","1.474","","","","has coordinates","221380","2020-10-21","18:00:00",""
"4128259","7.7267","0.0001","29.1116","0.0005","10.7432","0.0002","90","","107.91","0.0008","90","","2299.44","0.07","110","","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Br F6 Mn N4 O3 P -","- C19 H17 Br F6 Mn N4 O3 P -","- C76 H68 Br4 F24 Mn4 N16 O12 P4 -","4","1","","Sung, Siyoung; Li, Xiaohui; Wolf, Lucienna M.; Meeder, Jeremy R.; Bhuvanesh, Nattamai S.; Grice, Kyle A.; Panetier, Julien A.; Nippe, Michael","Synergistic Effects of Imidazolium-Functionalization on fac-Mn(CO)<sub>3</sub> Bipyridine Catalyst Platforms for Electrocatalytic Carbon Dioxide Reduction.","Journal of the American Chemical Society","2019","141","16","6569","6582","10.1021/jacs.8b13657","","","1.54178","CuKα","","0.0274","0.0271","","","0.0709","0.0711","","","","","","1.058","","","","has coordinates,has disorder","221381","2020-10-21","18:00:00",""
"4128260","7.937","0.002","12.188","0.004","26.58","0.008","90","","90","","90","","2571.2","1.3","110","2","110","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Br F6 Mn N4 O3 P -","- C22 H23 Br F6 Mn N4 O3 P -","- C88 H92 Br4 F24 Mn4 N16 O12 P4 -","4","1","","Sung, Siyoung; Li, Xiaohui; Wolf, Lucienna M.; Meeder, Jeremy R.; Bhuvanesh, Nattamai S.; Grice, Kyle A.; Panetier, Julien A.; Nippe, Michael","Synergistic Effects of Imidazolium-Functionalization on fac-Mn(CO)<sub>3</sub> Bipyridine Catalyst Platforms for Electrocatalytic Carbon Dioxide Reduction.","Journal of the American Chemical Society","2019","141","16","6569","6582","10.1021/jacs.8b13657","","","0.71073","MoKα","","0.0506","0.0377","","","0.0758","0.0804","","","","","","1.021","","","","has coordinates,has disorder","221382","2020-10-21","18:00:00",""
"4128261","20.7339","0.0008","22.5701","0.0009","22.5707","0.0008","61.056","0.002","68.264","0.002","88.742","0.003","8423.6","0.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C168 H204 N6 O18 -","- C168 H204 N6 O18 -","- C336 H408 N12 O36 -","2","1","","Nakamura, Takashi; Tsukuda, Shinnosuke; Nabeshima, Tatsuya","Double-Circularly Connected Saloph-Belt Macrocycles Generated from a Bis-Armed Bifunctional Monomer.","Journal of the American Chemical Society","2019","141","16","6462","6467","10.1021/jacs.9b00171","","","0.71073","MoKα","","0.2214","0.1384","","","0.3468","0.3769","","","","","","1.961","","","","has coordinates","221383","2020-10-21","18:00:00",""
"4128262","17.213","0.004","18.121","0.004","20.788","0.005","80.167","0.002","71.677","0.002","85.782","0.002","6064","2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C294.62 H305.46 N8 Na0.38 O34.62 Zn4 -","- C294.616 H295.848 N8 Na0.384 O34.616 Zn4 -","- C294.616 H295.848 N8 Na0.384 O34.616 Zn4 -","1","0.5","","Nakamura, Takashi; Tsukuda, Shinnosuke; Nabeshima, Tatsuya","Double-Circularly Connected Saloph-Belt Macrocycles Generated from a Bis-Armed Bifunctional Monomer.","Journal of the American Chemical Society","2019","141","16","6462","6467","10.1021/jacs.9b00171","","","0.71073","MoKα","","0.176","0.0941","","","0.2463","0.2883","","","","","","1.668","","","","has coordinates,has disorder","221384","2020-10-21","18:00:00",""
"4128263","12.2686","0.0014","12.0157","0.0013","17.27","0.002","90","","95.498","0.003","90","","2534.2","0.5","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C37 H24 -","- C37 H24 -","- C148 H96 -","4","1","","Zhou, Zhibiao; Xie, Sheng; Chen, Xian; Tu, Yujie; Xiang, Jiannan; Wang, Jianguo; He, Zikai; Zeng, Zebing; Tang, Ben Zhong","Spiro-Functionalized Diphenylethenes: Suppression of a Reversible Photocyclization Contributes to the Aggregation-Induced Emission Effect.","Journal of the American Chemical Society","2019","141","25","9803","9807","10.1021/jacs.9b04426","","","0.71073","MoKα","","0.0783","0.0459","","","0.1057","0.1188","","","","","","1.033","","","","has coordinates","221385","2020-10-21","18:00:00",""
"4128264","9.9961","0.001","11.5411","0.0011","22.484","0.002","90","","101.4","0.004","90","","2542.7","0.4","302","2","302.09","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C37 H24 -","- C37 H24 -","- C148 H96 -","4","1","","Zhou, Zhibiao; Xie, Sheng; Chen, Xian; Tu, Yujie; Xiang, Jiannan; Wang, Jianguo; He, Zikai; Zeng, Zebing; Tang, Ben Zhong","Spiro-Functionalized Diphenylethenes: Suppression of a Reversible Photocyclization Contributes to the Aggregation-Induced Emission Effect.","Journal of the American Chemical Society","2019","141","25","9803","9807","10.1021/jacs.9b04426","","","0.71073","MoKα","","0.1173","0.0655","","","0.1411","0.1605","","","","","","1.037","","","","has coordinates","221386","2020-10-21","18:00:00",""
"4128265","12.3418","0.0009","9.6112","0.0007","19.6749","0.0015","90","","106.691","0.001","90","","2235.5","0.3","133","2","133","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 -","- C33 H22 -","- C132 H88 -","4","1","","Zhou, Zhibiao; Xie, Sheng; Chen, Xian; Tu, Yujie; Xiang, Jiannan; Wang, Jianguo; He, Zikai; Zeng, Zebing; Tang, Ben Zhong","Spiro-Functionalized Diphenylethenes: Suppression of a Reversible Photocyclization Contributes to the Aggregation-Induced Emission Effect.","Journal of the American Chemical Society","2019","141","25","9803","9807","10.1021/jacs.9b04426","","","0.71073","MoKα","","0.041","0.0331","","","0.0793","0.0855","","","","","","1.004","","","","has coordinates","221387","2020-10-21","18:00:00",""
"4128266","9.9196","0.0001","21.8678","0.0001","21.5084","0.0001","90","","100.817","0.001","90","","4582.7","0.06","101","2","101","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Cl4 N4 O2 Ru -","- C50 H52 Cl4 N4 O2 Ru -","- C200 H208 Cl16 N16 O8 Ru4 -","4","1","","Song, Jung-Ah; Park, Bohyun; Kim, Soohyung; Kang, Cheol; Lee, Dongwhan; Baik, Mu-Hyun; Grubbs, Robert H.; Choi, Tae-Lim","Living Polymerization Caught in the Act: Direct Observation of an Arrested Intermediate in Metathesis Polymerization.","Journal of the American Chemical Society","2019","141","25","10039","10047","10.1021/jacs.9b04019","","x-ray","1.54184","CuKα","","0.0225","0.0223","","","0.0532","0.0533","","","","","","1.061","","","","has coordinates,has disorder","221388","2020-10-21","18:00:00",""
"4128267","13.7156","0.0002","15.0052","0.0002","17.1877","0.0002","85.65","0.001","78.025","0.001","63.955","0.001","3108.47","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H60 Br2 Cl2 N4 O4 Ru -","- C64 H60 Br2 Cl2 N4 O4 Ru -","- C128 H120 Br4 Cl4 N8 O8 Ru2 -","2","1","","Song, Jung-Ah; Park, Bohyun; Kim, Soohyung; Kang, Cheol; Lee, Dongwhan; Baik, Mu-Hyun; Grubbs, Robert H.; Choi, Tae-Lim","Living Polymerization Caught in the Act: Direct Observation of an Arrested Intermediate in Metathesis Polymerization.","Journal of the American Chemical Society","2019","141","25","10039","10047","10.1021/jacs.9b04019","","x-ray","1.54184","CuKα","","0.0439","0.0422","","","0.1155","0.1169","","","","","","1.065","","","","has coordinates","221389","2020-10-21","18:00:00",""
"4128268","20.364","0.0009","8.4235","0.0002","18.8888","0.0009","90","","123.796","0.007","90","","2692.6","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H44 Br4 N2 Pb -","- C20 H44 Br4 N2 Pb -","- C80 H176 Br16 N8 Pb4 -","4","0.5","","Morad, Viktoriia; Shynkarenko, Yevhen; Yakunin, Sergii; Brumberg, Alexandra; Schaller, Richard D.; Kovalenko, Maksym V.","Disphenoidal Zero-Dimensional Lead, Tin, and Germanium Halides: Highly Emissive Singlet and Triplet Self-Trapped Excitons and X-ray Scintillation.","Journal of the American Chemical Society","2019","141","25","9764","9768","10.1021/jacs.9b02365","","x-ray","0.71073","MoKα","","0.0229","0.0213","","","0.0501","0.0508","","","","","","1.079","","","","has coordinates","221390","2020-10-21","18:00:00",""
"4128269","20.0807","0.0007","8.4248","0.0001","18.3778","0.0005","90","","121.862","0.004","90","","2640.61","0.17","122","3","122","3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-butyl-1-methylpiperidinium tetrabromogermanate(II)","","- C20 H44 Br4 Ge N2 -","- C20 H44 Br4 Ge N2 -","- C80 H176 Br16 Ge4 N8 -","4","0.5","","Morad, Viktoriia; Shynkarenko, Yevhen; Yakunin, Sergii; Brumberg, Alexandra; Schaller, Richard D.; Kovalenko, Maksym V.","Disphenoidal Zero-Dimensional Lead, Tin, and Germanium Halides: Highly Emissive Singlet and Triplet Self-Trapped Excitons and X-ray Scintillation.","Journal of the American Chemical Society","2019","141","25","9764","9768","10.1021/jacs.9b02365","","x-ray","0.71073","MoKα","","0.0471","0.0342","","","0.06","0.0638","","","","","","1.117","","","","has coordinates","221391","2020-10-21","18:00:00",""
"4128270","20.122","0.003","8.4218","0.0006","18.801","0.002","90","","123.374","0.017","90","","2660.7","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H44 Br4 N2 Sn -","- C20 H44 Br4 N2 Sn -","- C80 H176 Br16 N8 Sn4 -","4","0.5","","Morad, Viktoriia; Shynkarenko, Yevhen; Yakunin, Sergii; Brumberg, Alexandra; Schaller, Richard D.; Kovalenko, Maksym V.","Disphenoidal Zero-Dimensional Lead, Tin, and Germanium Halides: Highly Emissive Singlet and Triplet Self-Trapped Excitons and X-ray Scintillation.","Journal of the American Chemical Society","2019","141","25","9764","9768","10.1021/jacs.9b02365","","x-ray","0.71073","MoKα","","0.0396","0.0339","","","0.0739","0.0758","","","","","","1.132","","","","has coordinates","221392","2020-10-21","18:00:00",""
"4128271","9.7647","0.0018","10.1799","0.0019","18.091","0.003","90","","90","","90","","1798.3","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O S -","- C19 H28 O S -","- C76 H112 O4 S4 -","4","1","","Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai","Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence.","Journal of the American Chemical Society","2019","141","25","9885","9894","10.1021/jacs.9b02765","","x-ray","0.71073","MoKα","","0.109","0.0916","","","0.2462","0.2727","","","","","","1.084","","","","has coordinates","221393","2020-10-21","18:00:00",""
"4128272","25.4036","0.0013","8.6525","0.0004","9.0953","0.0004","90","","90","","90","","1999.19","0.16","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C96 H112 O16 -","8","1","","Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai","Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence.","Journal of the American Chemical Society","2019","141","25","9885","9894","10.1021/jacs.9b02765","","x-ray","0.71073","MoKα","","0.0541","0.0437","","","0.1035","0.1098","","","","","","1.032","","","","has coordinates","221394","2020-10-21","18:00:00",""
"4128273","7.3457","0.0003","13.3767","0.0005","7.3693","0.0003","90","","108.584","0.002","90","","686.36","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7-Hydroxyindan-1-one","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","SI2340","Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai","Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence.","Journal of the American Chemical Society","2019","141","25","9885","9894","10.1021/jacs.9b02765","","","0.71073","MoKα","","0.0373","0.033","","","0.086","0.0893","","","","","","1.036","","","","has coordinates","221395","2020-10-21","18:00:00",""
"4128274","7.705","0.004","8.751","0.005","13.141","0.007","88.382","0.019","84.595","0.018","64.17","0.016","793.9","0.8","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 O S -","- C9 H8 O S -","- C36 H32 O4 S4 -","4","2","","Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai","Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence.","Journal of the American Chemical Society","2019","141","25","9885","9894","10.1021/jacs.9b02765","","x-ray","0.71073","MoKα","","0.0789","0.0599","","","0.1413","0.1545","","","","","","1.04","","","","has coordinates","221396","2020-10-21","18:00:00",""
"4128275","8.5386","0.0007","10.4949","0.0009","18.8536","0.0016","90","","90","","90","","1689.5","0.2","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H10 O2 -","- C10 H10 O2 -","- C80 H80 O16 -","8","1","","Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai","Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence.","Journal of the American Chemical Society","2019","141","25","9885","9894","10.1021/jacs.9b02765","","x-ray","0.71073","MoKα","","0.0482","0.0367","","","0.1044","0.1157","","","","","","1.022","","","","has coordinates","221397","2020-10-21","18:00:00",""
"4128276","8.7849","0.0011","5.4108","0.0008","14.8752","0.0019","90","","98.627","0.007","90","","699.07","0.16","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 F5 N O -","- C14 H16 F5 N O -","- C28 H32 F10 N2 O2 -","2","1","","Zhang, Juner; Huang, Xiongyi; Zhang, Ruijie K.; Arnold, Frances H.","Enantiodivergent α-Amino C-H Fluoroalkylation Catalyzed by Engineered Cytochrome P450s.","Journal of the American Chemical Society","2019","141","25","9798","9802","10.1021/jacs.9b04344","","","1.54178","CuKα","","0.0279","0.0276","","","0.0694","0.0696","","","","","","1.046","","","","has coordinates","221398","2020-10-21","18:00:00",""
"4128277","8.3312","0.0011","17.574","0.002","8.379","0.0011","90","","116.975","0.005","90","","1093.3","0.2","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 F3 N -","- C12 H14 F3 N -","- C48 H56 F12 N4 -","4","2","","Zhang, Juner; Huang, Xiongyi; Zhang, Ruijie K.; Arnold, Frances H.","Enantiodivergent α-Amino C-H Fluoroalkylation Catalyzed by Engineered Cytochrome P450s.","Journal of the American Chemical Society","2019","141","25","9798","9802","10.1021/jacs.9b04344","","","1.54178","CuKα","","0.0279","0.0279","","","0.0705","0.0705","","","","","","1.045","","","","has coordinates","221399","2020-10-21","18:00:00",""
"4128278","12.94476","0.00013","20.0897","0.0002","26.0868","0.0003","91.2399","0.001","94.7326","0.0009","91.1183","0.0009","6757.78","0.12","100","0.13","100","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C48 H108 K O16 Si4 Tb -","- C48 H108 K O16 Si4 Tb -","- C192 H432 K4 O64 Si16 Tb4 -","4","2","","Palumbo, Chad T.; Zivkovic, Ivica; Scopelliti, Rosario; Mazzanti, Marinella","Molecular Complex of Tb in the +4 Oxidation State.","Journal of the American Chemical Society","2019","141","25","9827","9831","10.1021/jacs.9b05337","","x-ray","1.54184","CuKα","","0.059","0.0538","","","0.1408","0.1463","","","","","","1.067","","","","has coordinates","221400","2020-10-21","18:00:00",""
"4128279","24.0696","0.0005","13.4628","0.0002","40.7459","0.0008","90","","96.4478","0.0017","90","","13120","0.4","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H108 O16 Si4 Tb -","- C48 H108 O16 Si4 Tb -","- C384 H864 O128 Si32 Tb8 -","8","1","","Palumbo, Chad T.; Zivkovic, Ivica; Scopelliti, Rosario; Mazzanti, Marinella","Molecular Complex of Tb in the +4 Oxidation State.","Journal of the American Chemical Society","2019","141","25","9827","9831","10.1021/jacs.9b05337","","x-ray","1.54184","CuKα","","0.0595","0.0518","","","0.1218","0.1266","","","","","","1.058","","","","has coordinates,has disorder","221401","2020-10-21","18:00:00",""
"4128280","17.9751","0.0003","15.1881","0.0003","9.872","0.0002","90","","97.535","0.001","90","","2671.86","0.09","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 N2 -","- C32 H42 N2 -","- C128 H168 N8 -","4","1","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","1.54178","CuKα","","0.0473","0.043","","","0.1088","0.1112","","","","","","1.089","","","","has coordinates","221402","2020-10-21","18:00:00",""
"4128281","10.4959","0.0003","14.0915","0.0004","18.7602","0.0006","90","","102.806","0.001","90","","2705.67","0.14","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H42 N P -","- C32 H42 N P -","- C128 H168 N4 P4 -","4","1","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","1.54178","CuKα","","0.0405","0.0389","","","0.1007","0.1024","","","","","","1.054","","","","has coordinates","221403","2020-10-21","18:00:00",""
"4128282","9.595","0.005","18.456","0.009","13.848","0.006","90","","101.346","0.008","90","","2404","2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H43 N O2 -","- C28 H43 N O2 -","- C112 H172 N4 O8 -","4","1","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","1.54178","CuKα","","0.0903","0.0553","","","0.1172","0.1323","","","","","","1.049","","","","has coordinates","221404","2020-10-21","18:00:00",""
"4128283","9.3291","0.0003","18.9635","0.0005","23.1474","0.0006","90","","90","","90","","4095.1","0.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C51 H65 N3 -","- C51 H65 N3 -","- C204 H260 N12 -","4","1","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","1.54178","CuKα","","0.0649","0.0481","","","0.1146","0.1233","","","","","","1.014","","","","has coordinates","221405","2020-10-21","18:00:00",""
"4128284","9.6679","0.0004","18.7513","0.0007","13.8244","0.0005","90","","102.399","0.002","90","","2447.71","0.16","100.15","","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H43 N S -","- C27 H43 N S -","- C108 H172 N4 S4 -","4","2","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","1.54178","CuKα","","0.0371","0.035","","","0.0859","0.0871","","","","","","1.041","","","","has coordinates,has disorder","221406","2020-10-21","18:00:00",""
"4128285","18.3658","0.0004","18.8888","0.0004","19.5947","0.0005","90","","90","","90","","6797.6","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H54 N P -","- C39 H54 N P -","- C312 H432 N8 P8 -","8","2","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","1.54178","CuKα","","0.0546","0.0459","","","0.1133","0.1188","","","","","","0.998","","","","has coordinates","221407","2020-10-21","18:00:00",""
"4128286","9.4457","0.0008","9.7034","0.001","18.412","0.002","79.515","0.005","87.442","0.005","85.632","0.005","1653.7","0.3","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C73 H120 N4 -","- C73 H120 N4 -","- C73 H120 N4 -","1","1","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","0.71073","MoKα","","0.0638","0.0461","","","0.1038","0.114","","","","","","1.022","","","","has coordinates,has disorder","221408","2020-10-21","18:00:00",""
"4128287","10.6372","0.0007","16.6939","0.0012","16.7043","0.0013","90","","91.822","0.003","90","","2964.8","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H48 N2 O -","- C34 H48 N2 O -","- C136 H192 N8 O4 -","4","2","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","0.71073","MoKα","","0.0925","0.0605","","","0.1236","0.1369","","","","","","1.041","","","","has coordinates,has disorder","221409","2020-10-21","18:00:00",""
"4128288","12.887","0.014","6.012","0.006","18.99","0.02","90","","94.389","0.016","90","","1467","3","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N -","- C19 H21 N -","- C76 H84 N4 -","4","1","","Asako, Sobi; Ishihara, Seina; Hirata, Keiya; Takai, Kazuhiko","Deoxygenative Insertion of Carbonyl Carbon into a C(sp<sup>3</sup>)-H Bond: Synthesis of Indolines and Indoles.","Journal of the American Chemical Society","2019","141","25","9832","9836","10.1021/jacs.9b05428","","","0.71075","MoKα","","0.1429","0.1274","","","0.1963","0.2026","","","","","","1.396","","","","has coordinates","221410","2020-10-21","18:00:00",""
"4128289","11.944","0.0001","13.0469","0.0002","21.0494","0.0002","72.339","0.001","80.743","0.001","74.699","0.001","3003.11","0.06","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C64 H96 Br0.69 Cl0.31 Fe Mg O8 -","- C64 H96 Br0.691 Cl0.309 Fe Mg O8 -","- C128 H192 Br1.382 Cl0.618 Fe2 Mg2 O16 -","2","1","","Neate, Peter G. N.; Greenhalgh, Mark D.; Brennessel, William W.; Thomas, Stephen P.; Neidig, Michael L.","Mechanism of the Bis(imino)pyridine-Iron-Catalyzed Hydromagnesiation of Styrene Derivatives.","Journal of the American Chemical Society","2019","141","25","10099","10108","10.1021/jacs.9b04869","","x-ray","1.54184","CuKα","","0.0635","0.0564","","","0.1597","0.1662","","","","","","1.079","","","","has coordinates,has disorder","221411","2020-10-21","18:00:00",""
"4128290","11.4045","0.0018","22.533","0.004","26.176","0.004","90","","99.122","0.003","90","","6641.6","1.9","100","0.5","100","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","neipn01","","","- C67 H112 Br0.67 Cl0.33 Fe Mg N3 O7.5 -","- C67 H112 Br0.6709 Cl0.3291 Fe Mg N3 O7.5 -","- C268 H448 Br2.6836 Cl1.3164 Fe4 Mg4 N12 O30 -","4","1","","Neate, Peter G. N.; Greenhalgh, Mark D.; Brennessel, William W.; Thomas, Stephen P.; Neidig, Michael L.","Mechanism of the Bis(imino)pyridine-Iron-Catalyzed Hydromagnesiation of Styrene Derivatives.","Journal of the American Chemical Society","2019","141","25","10099","10108","10.1021/jacs.9b04869","","","0.71073","MoKα","","0.0884","0.0502","","","0.1084","0.1224","","","","","","1.021","","","","has coordinates,has disorder","221412","2020-10-21","18:00:00",""
"4128291","22.6754","0.0005","12.315","0.0007","24.0776","0.0007","90","","90","","90","","6723.6","0.5","99.99","0.1","99.99","0.1","","","","","","","","8","P c a 21","P 2c -2ac","29","neipn21","","","- C61 H92 Br0.6 Cl0.4 Fe Mg N5 O5 -","- C61 H92 Br0.598 Cl0.402 Fe Mg N5 O5 -","- C244 H368 Br2.392 Cl1.608 Fe4 Mg4 N20 O20 -","4","1","","Neate, Peter G. N.; Greenhalgh, Mark D.; Brennessel, William W.; Thomas, Stephen P.; Neidig, Michael L.","Mechanism of the Bis(imino)pyridine-Iron-Catalyzed Hydromagnesiation of Styrene Derivatives.","Journal of the American Chemical Society","2019","141","25","10099","10108","10.1021/jacs.9b04869","","x-ray","1.54184","CuKα","","0.1008","0.0753","","","0.2054","0.2282","","","","","","1.052","","","","has coordinates,has disorder","221413","2020-10-21","18:00:00",""
"4128292","13.151","0.002","13.717","0.003","13.813","0.003","69.601","0.008","62.568","0.007","82.672","0.01","2071.3","0.7","221","2","221.64","","","","","","","","","3","P -1","-P 1","2","SI-4","","","- C41 H38 O9 -","- C41 H38 O9 -","- C82 H76 O18 -","2","1","","Timmerman, Jacob C.; Sims, Noah J.; Wood, John L.","Total Synthesis of Caesalpinnone A and Caesalpinflavan B: Evolution of a Concise Strategy.","Journal of the American Chemical Society","2019","141","25","10082","10090","10.1021/jacs.9b04472","","","0.71073","MoKα","","0.1848","0.1648","","","0.4607","0.4883","","","","","","2.0909","","","","has coordinates","221414","2020-10-21","18:00:00",""
"4128293","11.2663","0.0005","12.5159","0.0004","12.5665","0.0006","96.867","0.0012","105.428","0.0011","104.245","0.0015","1622.81","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H38 O7 -","- C41 H38 O7 -","- C82 H76 O14 -","2","1","","Timmerman, Jacob C.; Sims, Noah J.; Wood, John L.","Total Synthesis of Caesalpinnone A and Caesalpinflavan B: Evolution of a Concise Strategy.","Journal of the American Chemical Society","2019","141","25","10082","10090","10.1021/jacs.9b04472","","","0.71073","MoKα","","0.0478","0.0372","","","0.0862","0.0919","","","","","","1.023","","","","has coordinates","221415","2020-10-21","18:00:00",""
"4128294","7.0423","0.0004","10.4389","0.0006","12.1272","0.0007","76.1046","0.0019","88.391","0.002","77.957","0.002","846.15","0.08","109","2","109","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 N4 O -","- C21 H18 N4 O -","- C42 H36 N8 O2 -","2","1","","Xing, Pengyao; Li, Yongxin; Xue, Shixin; Fiona Phua, Soo Zeng; Ding, Chendi; Chen, Hongzhong; Zhao, Yanli","Occurrence of Chiral Nanostructures Induced by Multiple Hydrogen Bonds.","Journal of the American Chemical Society","2019","141","25","9946","9954","10.1021/jacs.9b03502","","","0.71073","MoKα","","0.111","0.0588","","","0.1164","0.1429","","","","","","1.026","","","","has coordinates","221416","2020-10-21","18:00:00",""
"4128295","11.7863","0.0014","24.768","0.003","28.259","0.003","112.963","0.003","96.27","0.003","103.206","0.003","7211.6","1.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 N6 -","- C21 H18 N6 -","- C336 H288 N96 -","16","8","","Xing, Pengyao; Li, Yongxin; Xue, Shixin; Fiona Phua, Soo Zeng; Ding, Chendi; Chen, Hongzhong; Zhao, Yanli","Occurrence of Chiral Nanostructures Induced by Multiple Hydrogen Bonds.","Journal of the American Chemical Society","2019","141","25","9946","9954","10.1021/jacs.9b03502","","","0.71073","MoKα","","0.3552","0.1506","","","0.3029","0.3853","","","","","","1.329","","","","has coordinates","221417","2020-10-21","18:00:00",""
"4128296","4.8537","0.0009","7.4768","0.0015","50.879","0.011","90","","90","","90","","1846.4","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O5 -","- C23 H23 N O5 -","- C92 H92 N4 O20 -","4","1","","Xing, Pengyao; Li, Yongxin; Xue, Shixin; Fiona Phua, Soo Zeng; Ding, Chendi; Chen, Hongzhong; Zhao, Yanli","Occurrence of Chiral Nanostructures Induced by Multiple Hydrogen Bonds.","Journal of the American Chemical Society","2019","141","25","9946","9954","10.1021/jacs.9b03502","","","0.71073","MoKα","","0.1775","0.0947","","","0.2033","0.2466","","","","","","1.061","","","","has coordinates","221418","2020-10-21","18:00:00",""
"4128297","4.766","0.002","9.398","0.005","12.71","0.006","104.348","0.008","97.123","0.008","91.867","0.008","546.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Kavita110216b","","","- C20 H16 F6 N2 O7 -","- C20 H16 F6 N2 O7 -","- C20 H16 F6 N2 O7 -","1","0.5","","Belligund, Kavita; Mathew, Thomas; Hunt, Jonathan R.; Nirmalchandar, Archith; Haiges, Ralf; Dawlaty, Jahan; Prakash, G. K. Surya","Photochemistry of 2-Nitroarenes: 2-Nitrophenyl-α-trifluoromethyl Carbinols as Synthons for Fluoroorganics.","Journal of the American Chemical Society","2019","141","40","15921","15931","10.1021/jacs.9b07241","","","0.71073","MoKα","","0.1144","0.0764","","","0.2042","0.2222","","","","","","1.136","","","","has coordinates,has disorder","221419","2020-10-21","18:00:00",""
"4128298","7.9032","0.0008","8.8144","0.001","14.88","0.0016","93.28","0.002","95.688","0.002","90.365","0.002","1029.7","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H12 F6 N2 O3 -","- C24 H12 F6 N2 O3 -","- C48 H24 F12 N4 O6 -","2","1","","Belligund, Kavita; Mathew, Thomas; Hunt, Jonathan R.; Nirmalchandar, Archith; Haiges, Ralf; Dawlaty, Jahan; Prakash, G. K. Surya","Photochemistry of 2-Nitroarenes: 2-Nitrophenyl-α-trifluoromethyl Carbinols as Synthons for Fluoroorganics.","Journal of the American Chemical Society","2019","141","40","15921","15931","10.1021/jacs.9b07241","","","0.71073","MoKα","","0.0631","0.0458","","","0.1186","0.1291","","","","","","1.04","","","","has coordinates","221420","2020-10-21","18:00:00",""
"4128299","16.3899","0.0014","8.4422","0.0008","21.6823","0.0019","90","","90","","90","","3000.1","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H8 F6 N2 O3 -","- C16 H8 F6 N2 O3 -","- C128 H64 F48 N16 O24 -","8","1","","Belligund, Kavita; Mathew, Thomas; Hunt, Jonathan R.; Nirmalchandar, Archith; Haiges, Ralf; Dawlaty, Jahan; Prakash, G. K. Surya","Photochemistry of 2-Nitroarenes: 2-Nitrophenyl-α-trifluoromethyl Carbinols as Synthons for Fluoroorganics.","Journal of the American Chemical Society","2019","141","40","15921","15931","10.1021/jacs.9b07241","","","0.71073","MoKα","","0.0469","0.0351","","","0.089","0.0961","","","","","","1.037","","","","has coordinates","221421","2020-10-21","18:00:00",""
"4128300","9.414","0.003","9.426","0.003","11.441","0.004","112.364","0.004","98.218","0.004","101.891","0.004","890.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Kavita062518","","","- C12 H17 Br F3 N O5 S2 -","- C12 H17 Br F3 N O5 S2 -","- C24 H34 Br2 F6 N2 O10 S4 -","2","1","","Belligund, Kavita; Mathew, Thomas; Hunt, Jonathan R.; Nirmalchandar, Archith; Haiges, Ralf; Dawlaty, Jahan; Prakash, G. K. Surya","Photochemistry of 2-Nitroarenes: 2-Nitrophenyl-α-trifluoromethyl Carbinols as Synthons for Fluoroorganics.","Journal of the American Chemical Society","2019","141","40","15921","15931","10.1021/jacs.9b07241","","","0.71073","MoKα","","0.0278","0.0227","","","0.0519","0.0542","","","","","","1.063","","","","has coordinates,has disorder","221423","2020-10-21","18:00:00",""
"4128301","6.4041","0.0011","16.548","0.003","8.082","0.0014","90","","105.719","0.002","90","","824.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 F3 N O3 -","- C8 H4 F3 N O3 -","- C32 H16 F12 N4 O12 -","4","1","","Belligund, Kavita; Mathew, Thomas; Hunt, Jonathan R.; Nirmalchandar, Archith; Haiges, Ralf; Dawlaty, Jahan; Prakash, G. K. Surya","Photochemistry of 2-Nitroarenes: 2-Nitrophenyl-α-trifluoromethyl Carbinols as Synthons for Fluoroorganics.","Journal of the American Chemical Society","2019","141","40","15921","15931","10.1021/jacs.9b07241","","","0.71073","MoKα","","0.0472","0.0375","","","0.0967","0.1035","","","","","","1.03","","","","has coordinates","221424","2020-10-21","18:00:00",""
"4128302","13.2836","0.0019","9.513","0.0013","17.387","0.003","90","","90.057","0.004","90","","2197.1","0.6","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H30.75 N2 O8.38 -","- C22 H30.75 N2 O8.375 -","- C88 H123 N8 O33.5 -","4","2","","Thesmar, Pierre; Baudoin, Olivier","Efficient and Divergent Total Synthesis of (-)-Epicoccin G and (-)-Rostratin A Enabled by Double C(sp<sup>3</sup>)-H Activation.","Journal of the American Chemical Society","2019","141","40","15779","15783","10.1021/jacs.9b09359","","x-ray","1.54178","CuKα","","0.0272","0.0272","","","0.0724","0.0724","","","","","","1.044","","","","has coordinates","221425","2020-10-21","18:00:00",""
"4128303","9.883","0.0004","9.883","0.0004","36.809","0.002","90","","90","","120","","3113.6","0.2","123","","123","","","","","","","","Pierre Thesmar","4","P 32 2 1","P 32 2""","154","","","","- C22 H27 N2 O8.5 -","- C22 H27 N2 O8.5 -","- C132 H162 N12 O51 -","6","1","","Thesmar, Pierre; Baudoin, Olivier","Efficient and Divergent Total Synthesis of (-)-Epicoccin G and (-)-Rostratin A Enabled by Double C(sp<sup>3</sup>)-H Activation.","Journal of the American Chemical Society","2019","141","40","15779","15783","10.1021/jacs.9b09359","","","1.54178","CuKα","","0.0335","0.0327","","0.0854","0.0845","0.0842","","","","","","0.9809","","","","has coordinates","221426","2020-10-21","18:00:00",""
"4128304","9.48","0.0006","9.5062","0.0006","13.0768","0.0008","79.7133","0.0018","87.5882","0.0017","60.4663","0.0016","1007.41","0.11","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C44 H52 N4 O12 -","2","2","","Thesmar, Pierre; Baudoin, Olivier","Efficient and Divergent Total Synthesis of (-)-Epicoccin G and (-)-Rostratin A Enabled by Double C(sp<sup>3</sup>)-H Activation.","Journal of the American Chemical Society","2019","141","40","15779","15783","10.1021/jacs.9b09359","","","1.54178","CuKα","","0.0288","0.0288","","0.0318","0.0318","0.0317","","","","","","1.1119","","","","has coordinates","221427","2020-10-21","18:00:00",""
"4128305","7.8236","0.0002","14.7618","0.0004","24.4735","0.0007","90","","90","","90","","2826.45","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 Cl4 N Ru -","- C30 H31 Cl4 N Ru -","- C120 H124 Cl16 N4 Ru4 -","4","1","","Li, Zhong-Yuan; Lakmal, Hetti Handi Chaminda; Qian, Xiaolin; Zhu, Zhenyu; Donnadieu, Bruno; McClain, Sarah J.; Xu, Xue; Cui, Xin","Ruthenium-Catalyzed Enantioselective C-H Functionalization: A Practical Access to Optically Active Indoline Derivatives.","Journal of the American Chemical Society","2019","141","40","15730","15736","10.1021/jacs.9b07251","","","1.54178","CuKα","","0.0374","0.0309","","","0.0607","0.0625","","","","","","1.019","","","","has coordinates","221428","2020-10-21","18:00:00",""
"4128306","5.5476","0.0003","8.4528","0.0005","21.0022","0.0013","90","","97.001","0.004","90","","977.51","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C46 H42 N2 O6 S2 -","2","1","","Li, Zhong-Yuan; Lakmal, Hetti Handi Chaminda; Qian, Xiaolin; Zhu, Zhenyu; Donnadieu, Bruno; McClain, Sarah J.; Xu, Xue; Cui, Xin","Ruthenium-Catalyzed Enantioselective C-H Functionalization: A Practical Access to Optically Active Indoline Derivatives.","Journal of the American Chemical Society","2019","141","40","15730","15736","10.1021/jacs.9b07251","","","1.54178","CuKα","","0.0689","0.0428","","","0.0802","0.0902","","","","","","1.025","","","","has coordinates","221429","2020-10-21","18:00:00",""
"4128307","14.6401","0.0003","17.2051","0.0004","17.93","0.0004","115.267","0.0013","96.9948","0.0016","103.786","0.0018","3836","0.17","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C79.5 H54 B Cl F24 O P2 Pd -","- C79.5 H54 B Cl F24 O P2 Pd -","- C159 H108 B2 Cl2 F48 O2 P4 Pd2 -","2","1","","Wierschen, Andreas L.; Romano, Neyen; Lee, Stephen J.; Gagné, Michel R","Silylpalladium Cations Enable the Oxidative Addition of C(sp<sup>3</sup>)-O Bonds.","Journal of the American Chemical Society","2019","141","40","16024","16032","10.1021/jacs.9b08178","","","1.5418","CuKα","","0.0751","0.0658","","0.1781","0.1709","0.1781","","","","","","1.0248","","","","has coordinates,has disorder","221430","2020-10-21","18:00:00",""
"4128308","7.0841","0.0001","7.0841","0.0001","41.0624","0.001","90","","90","","90","","2060.69","0.06","120","2","120","2","","","","","","","","4","P 43","P 4cw","78","","","","- C24 H25 N O7 -","- C24 H25 N O7 -","- C96 H100 N4 O28 -","4","1","","Trost, Barry M.; Hung, Chao-I Joey; Jiao, Zhiwei","Enantioselective Divergent Syntheses of (+)-Bulleyanaline and Related Isoquinoline Alkaloids from the Genus <i>Corydalis</i>.","Journal of the American Chemical Society","2019","141","40","16085","16092","10.1021/jacs.9b08441","","","1.54178","CuKα","","0.0248","0.0247","","","0.0664","0.0666","","","","","","1.055","","","","has coordinates","221431","2020-10-21","18:00:00",""
"4128309","6.1967","0.0002","22.128","0.0008","14.697","0.0006","90","","94.665","0.002","90","","2008.59","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 B N O2 -","- C23 H26 B N O2 -","- C92 H104 B4 N4 O8 -","4","1","","Vidal, Fernando; Gomezcoello, John; Lalancette, Roger A.; Jäkle, Frieder","Lewis Pairs as Highly Tunable Dynamic Cross-Links in Transient Polymer Networks.","Journal of the American Chemical Society","2019","141","40","15963","15971","10.1021/jacs.9b07452","","","1.54178","CuKα","","0.045","0.0408","","","0.1022","0.1057","","","","","","1.033","","","","has coordinates","221432","2020-10-21","18:00:00",""
"4128310","11.9238","0.0005","13.673","0.0007","12.7983","0.0006","90","","112.838","0.003","90","","1922.99","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H25 B N2 O2 -","- C21 H25 B N2 O2 -","- C84 H100 B4 N8 O8 -","4","2","","Vidal, Fernando; Gomezcoello, John; Lalancette, Roger A.; Jäkle, Frieder","Lewis Pairs as Highly Tunable Dynamic Cross-Links in Transient Polymer Networks.","Journal of the American Chemical Society","2019","141","40","15963","15971","10.1021/jacs.9b07452","","","1.54178","CuKα","","0.0592","0.0443","","","0.0805","0.0845","","","","","","1.377","","","","has coordinates","221433","2020-10-21","18:00:00",""
"4128311","14.226","0.003","14.478","0.003","15.346","0.003","117.356","0.003","99.68","0.004","104.803","0.004","2559.6","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 Cl2 Co N4 O12 -","- C32 H23 Cl2 Co N4 O12 -","- C64 H46 Cl4 Co2 N8 O24 -","2","1","","Roy, Souvik; Huang, Zhehao; Bhunia, Asamanjoy; Castner, Ashleigh; Gupta, Arvind K.; Zou, Xiaodong; Ott, Sascha","Electrocatalytic Hydrogen Evolution from a Cobaloxime-Based Metal-Organic Framework Thin Film.","Journal of the American Chemical Society","2019","141","40","15942","15950","10.1021/jacs.9b07084","","","0.71073","MoKα","","0.1592","0.0816","","","0.2218","0.2502","","","","","","0.922","","","","has coordinates","221434","2020-10-21","18:00:00",""
"4128312","9.1839","0.0004","10.4178","0.0005","19.8431","0.0008","90","","99.184","0.001","90","","1874.17","0.14","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C84 H128 O16 -","4","2","","Min, Long; Lin, Xiaohong; Li, Chuang-Chuang","Asymmetric Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","40","15773","15778","10.1021/jacs.9b08983","","x-ray","1.54178","CuKα","","0.0721","0.0602","","","0.1442","0.1538","","","","","","1.055","","","","has coordinates","221435","2020-10-21","18:00:00",""
"4128313","9.1575","0.0004","9.248","0.0004","19.2789","0.0008","90","","90","","90","","1632.7","0.12","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Min, Long; Lin, Xiaohong; Li, Chuang-Chuang","Asymmetric Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","40","15773","15778","10.1021/jacs.9b08983","","x-ray","1.54178","CuKα","","0.0302","0.0298","","","0.0737","0.0741","","","","","","1.139","","","","has coordinates","221436","2020-10-21","18:00:00",""
"4128314","10.5315","0.0002","12.5444","0.0003","12.5572","0.0003","90","","89.99","","90","","1658.95","0.06","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","j095","","","- C12 H32 I8 N4 Pb2 -","- C12 H32 I8 N4 Pb2 -","- C24 H64 I16 N8 Pb4 -","2","1","","Park, In-Hyeok; Zhang, Qiannan; Kwon, Ki Chang; Zhu, Ziyu; Yu, Wei; Leng, Kai; Giovanni, David; Choi, Hwa Seob; Abdelwahab, Ibrahim; Xu, Qing-Hua; Sum, Tze Chien; Loh, Kian Ping","Ferroelectricity and Rashba Effect in a Two-Dimensional Dion-Jacobson Hybrid Organic-Inorganic Perovskite.","Journal of the American Chemical Society","2019","141","40","15972","15976","10.1021/jacs.9b07776","","","0.71073","MoKα","","0.0983","0.0956","","","0.2236","0.2254","","","","","","1.005","","","","has coordinates","221437","2020-10-21","18:00:00",""
"4128315","10.6173","0.0014","12.54","0.0018","12.53","0.002","90","","89.983","0.006","90","","1668.3","0.4","373","2","373","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DJ_373K","","","- C6 H16 I4 N2 Pb -","- C6 H16 I4 N2 Pb -","- C24 H64 I16 N8 Pb4 -","4","1","","Park, In-Hyeok; Zhang, Qiannan; Kwon, Ki Chang; Zhu, Ziyu; Yu, Wei; Leng, Kai; Giovanni, David; Choi, Hwa Seob; Abdelwahab, Ibrahim; Xu, Qing-Hua; Sum, Tze Chien; Loh, Kian Ping","Ferroelectricity and Rashba Effect in a Two-Dimensional Dion-Jacobson Hybrid Organic-Inorganic Perovskite.","Journal of the American Chemical Society","2019","141","40","15972","15976","10.1021/jacs.9b07776","","","0.71073","MoKα","","0.1327","0.1234","","","0.3313","0.3423","","","","","","1.024","","","","has coordinates","221438","2020-10-21","18:00:00",""
"4128316","8.5379","0.0003","11.6565","0.0003","14.3665","0.0005","76.954","0.002","78.816","0.003","83.43","0.002","1362.69","0.08","93","","93.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 N2 O5 Zn -","- C30.191 H27.307 N1.937 O5 Zn -","- C60.382 H54.614 N3.874 O10 Zn2 -","2","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.072","0.0621","","","0.1621","0.1688","","","","","","1.044","","","","has coordinates,has disorder","221439","2020-10-21","18:00:00",""
"4128317","9.8343","0.0003","20.384","0.0006","19.3857","0.0006","90","","96.479","0.003","90","","3861.3","0.2","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 N4 O7 Zn -","- C42 H46 N4 O7 Zn -","- C168 H184 N16 O28 Zn4 -","4","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.0554","0.0421","","","0.1454","0.1538","","","","","","1.144","","","","has coordinates","221440","2020-10-21","18:00:00",""
"4128318","9.803","0.0006","9.8836","0.0006","11.8009","0.0008","88.301","0.005","86.59","0.005","80.201","0.005","1124.48","0.12","93","","93.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27.41 H19.41 N O4 Zn -","- C27 H19 N O4 Zn -","- C54 H38 N2 O8 Zn2 -","2","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.1089","0.0784","","","0.204","0.2269","","","","","","1.045","","","","has coordinates,has disorder","221441","2020-10-21","18:00:00",""
"4128319","15.0725","0.0004","15.7354","0.0005","20.5142","0.0006","78.984","0.002","88.169","0.002","80.392","0.002","4708.7","0.2","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 N O4 Zn -","- C27 H19 N O4 Zn -","- C216 H152 N8 O32 Zn8 -","8","4","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.1317","0.1067","","","0.25","0.2606","","","","","","1.102","","","","has coordinates","221442","2020-10-21","18:00:00",""
"4128320","9.0865","0.0006","11.1662","0.0006","13.4069","0.0009","77.455","0.005","83.372","0.005","83.133","0.005","1312.66","0.15","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N2 O5 Zn -","- C30 H26 N2 O5 Zn -","- C60 H52 N4 O10 Zn2 -","2","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.0952","0.068","","","0.1768","0.2093","","","","","","0.934","","","","has coordinates","221443","2020-10-21","18:00:00",""
"4128321","8.4884","0.0002","11.785","0.0003","14.7536","0.0003","76.227","0.002","76.572","0.002","83.831","0.002","1392.14","0.06","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 N2 O5 Zn -","- C31 H28 N2 O5 Zn -","- C62 H56 N4 O10 Zn2 -","2","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.0505","0.0408","","","0.1085","0.1128","","","","","","1.068","","","","has coordinates,has disorder","221444","2020-10-21","18:00:00",""
"4128322","8.8203","0.0004","11.0081","0.0006","14.1769","0.0006","78.272","0.004","79.655","0.004","80.661","0.004","1314.51","0.11","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 N2 O5 Zn -","- C29.985 H25.639 N2 O5 Zn -","- C59.97 H51.278 N4 O10 Zn2 -","2","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.0721","0.057","","","0.1272","0.1334","","","","","","1.043","","","","has coordinates,has disorder","221445","2020-10-21","18:00:00",""
"4128323","9.038","0.0004","12.0885","0.0005","14.9988","0.0007","67.39","0.004","72.49","0.004","89.005","0.004","1433.64","0.13","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N2 O5 Zn -","- C32 H30 N2 O5 Zn -","- C64 H60 N4 O10 Zn2 -","2","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.0983","0.0796","","","0.217","0.2317","","","","","","1.155","","","","has coordinates","221446","2020-10-21","18:00:00",""
"4128324","8.5536","0.0007","12.1855","0.0011","15.0843","0.0013","67.442","0.008","74.816","0.007","87.306","0.007","1398.7","0.2","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N2 O5 Zn -","- C31.266 H29.88 N2 O5 Zn -","- C62.532 H59.76 N4 O10 Zn2 -","2","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.1066","0.0856","","","0.2426","0.2587","","","","","","1.031","","","","has coordinates,has disorder","221447","2020-10-21","18:00:00",""
"4128325","9.5199","0.0002","35.864","0.0007","27.0516","0.0005","90","","90.65","0.002","90","","9235.4","0.3","170","0.1","170","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H48 Br4 K2 Mn O12 -","- C40 H48 Br4 K2 Mn O12 -","- C320 H384 Br32 K16 Mn8 O96 -","8","2","","Zhao, Jian; Zhang, Tongjin; Dong, Xi-Yan; Sun, Meng-En; Zhang, Chong; Li, Xinlei; Zhao, Yong Sheng; Zang, Shuang-Quan","Circularly Polarized Luminescence from Achiral Single Crystals of Hybrid Manganese Halides.","Journal of the American Chemical Society","2019","141","40","15755","15760","10.1021/jacs.9b08780","","x-ray","1.54184","CuKα","","0.0715","0.0626","","","0.1756","0.18","","","","","","1.077","","","","has coordinates","221448","2020-10-21","18:00:00",""
"4128326","9.418","0.0001","35.5659","0.0003","26.6416","0.0002","90","","91.008","0.001","90","","8922.48","0.14","170","0.1","170","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H48 Cl4 K2 Mn O12 -","- C40 H48 Cl4 K2 Mn O12 -","- C320 H384 Cl32 K16 Mn8 O96 -","8","2","","Zhao, Jian; Zhang, Tongjin; Dong, Xi-Yan; Sun, Meng-En; Zhang, Chong; Li, Xinlei; Zhao, Yong Sheng; Zang, Shuang-Quan","Circularly Polarized Luminescence from Achiral Single Crystals of Hybrid Manganese Halides.","Journal of the American Chemical Society","2019","141","40","15755","15760","10.1021/jacs.9b08780","","x-ray","1.54184","CuKα","","0.0338","0.0299","","","0.0735","0.0747","","","","","","1.005","","","","has coordinates","221449","2020-10-21","18:00:00",""
"4128327","17.464","0.003","20.626","0.004","35.907","0.007","90","","95.69","0.003","90","","12870","4","93","2","93","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C229 H96 Au24 Cl2 F108 P2 Pt -","- C229 H96 Au24 Cl2 F108 P2 Pt -","- C458 H192 Au48 Cl4 F216 P4 Pt2 -","2","0.5","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","0.71075","MoKα","","0.0699","0.0627","","","0.1612","0.1668","","","","","","1.122","","","","has coordinates,has disorder","221450","2020-10-21","18:00:00",""
"4128328","16.883","0.003","16.927","0.003","17.005","0.003","103.829","0.001","112.014","0.001","107.241","0.001","3952.2","1.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H198 Au24 Pt S18 Si18 -","- C72 H198 Au24 Pt S18 Si18 -","- C72 H198 Au24 Pt S18 Si18 -","1","0.5","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","0.71075","MoKα","","0.044","0.0355","","","0.0604","0.0638","","","","","","0.971","","","","has coordinates,has disorder","221451","2020-10-21","18:00:00",""
"4128329","19.5656","0.0003","26.9697","0.0003","29.4945","0.0004","92.24","0.001","108.448","0.001","96.785","0.001","14612","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C112.5 H199 Au23 Pd S17 -","- C112.5 H199 Au23 Pd S17 -","- C450 H796 Au92 Pd4 S68 -","4","2","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","1.54187","CuKα","","0.0805","0.0673","","","0.1751","0.186","","","","","","1.046","","","","has coordinates,has disorder","221452","2020-10-21","18:00:00",""
"4128330","19.3124","0.0009","19.3602","0.0007","21.1823","0.0011","64.389","0.004","80.212","0.004","62.406","0.004","6324.9","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C198 H270 Au24 Pt S18 -","- C198 H270 Au24 Pt S18 -","- C198 H270 Au24 Pt S18 -","1","0.5","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","1.54184","CuKα","","0.1054","0.0903","","","0.2697","0.2813","","","","","","1.119","","","","has coordinates,has disorder","221453","2020-10-21","18:00:00",""
"4128331","13.5826","0.0015","16.0653","0.0016","19.6261","0.0019","112.202","0.007","97.322","0.009","94.939","0.007","3890.5","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H162 Au24 Pd S18 -","- C144 H162 Au24 Pd S18 -","- C144 H162 Au24 Pd S18 -","1","0.5","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","0.71075","MoKα","","0.0395","0.0363","","","0.0671","0.0686","","","","","","1.149","","","","has coordinates","221454","2020-10-21","18:00:00",""
"4128332","17.477","0.004","20.733","0.004","35.724","0.007","90","","95.792","0.003","90","","12879","5","93","2","93","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C229 H96 Au24 Cl2 F108 P2 Pd -","- C229 H96 Au24 Cl2 F108 P2 Pd -","- C458 H192 Au48 Cl4 F216 P4 Pd2 -","2","0.5","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","0.71075","MoKα","","0.0725","0.0633","","","0.1563","0.1632","","","","","","1.124","","","","has coordinates,has disorder","221455","2020-10-21","18:00:00",""
"4128333","16.8731","0.0004","16.9117","0.0004","17.0006","0.0004","103.768","0.002","112.008","0.002","107.269","0.002","3946.7","0.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H198 Au24 Pd S18 Si18 -","- C72 H198 Au24 Pd S18 Si18 -","- C72 H198 Au24 Pd S18 Si18 -","1","0.5","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","0.71075","MoKα","","0.0403","0.0354","","","0.1046","0.1067","","","","","","1.048","","","","has coordinates,has disorder","221456","2020-10-21","18:00:00",""
"4128334","16.139","0.006","16.956","0.006","17.758","0.007","111.431","0.003","116.42","0.002","94.089","0.002","3888","3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C115 H206 Au24 Pt S18 -","- C115 H206 Au24 Pt S18 -","- C115 H206 Au24 Pt S18 -","1","0.5","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","0.71075","MoKα","","0.0646","0.0518","","","0.1107","0.1187","","","","","","1.004","","","","has coordinates,has disorder","221457","2020-10-21","18:00:00",""
"4128335","9.1921","0.0005","13.8664","0.0007","15.1426","0.0007","83.111","0.002","82.152","0.002","77.693","0.002","1859.83","0.16","173","2","173.01","","","","","","","","","8","P -1","-P 1","2","","","","- C66 H70 Ag2 F6 Ir2 N16 O6 S2 -","- C54 H52 Ag2 F6 Ir2 N10 O6 S2 -","- C54 H52 Ag2 F6 Ir2 N10 O6 S2 -","1","0.5","","Zhang, Hai-Ning; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Reversible Structural Transformation between a Molecular Solomon Link and an Unusual Unsymmetrical Trefoil Knot.","Journal of the American Chemical Society","2019","141","40","16057","16063","10.1021/jacs.9b08254","","","1.34138","GaKα","","0.0469","0.0408","","","0.1104","0.1143","","","","","","1.051","","","","has coordinates","221458","2020-10-21","18:00:00",""
"4128336","49.616","0.002","15.5826","0.0007","37.8111","0.0016","90","","106.495","0.002","90","","28030","2","173","2","173","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C130 H141 F12 Ir4 N16 O16.5 S4 -","- C125 H125.5 F12 Ir4 N13.5 O12.5 S4 -","- C1000 H1004 F96 Ir32 N108 O100 S32 -","8","2","","Zhang, Hai-Ning; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Reversible Structural Transformation between a Molecular Solomon Link and an Unusual Unsymmetrical Trefoil Knot.","Journal of the American Chemical Society","2019","141","40","16057","16063","10.1021/jacs.9b08254","","","1.34138","GaKα","","0.046","0.0449","","","0.119","0.1199","","","","","","1.015","","","","has coordinates,has disorder","221459","2020-10-21","18:00:00",""
"4128337","9.0059","0.0005","23.0531","0.0013","11.8913","0.0007","90","","91.56","0.002","90","","2467.9","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 F6 Ir2 N8 O6 S2 -","- C44 H50 F6 Ir2 N8 O6 S2 -","- C88 H100 F12 Ir4 N16 O12 S4 -","2","0.5","","Zhang, Hai-Ning; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Reversible Structural Transformation between a Molecular Solomon Link and an Unusual Unsymmetrical Trefoil Knot.","Journal of the American Chemical Society","2019","141","40","16057","16063","10.1021/jacs.9b08254","","","1.34138","GaKα","","0.0726","0.0705","","","0.1845","0.1878","","","","","","1.109","","","","has coordinates","221460","2020-10-21","18:00:00",""
"4128338","28.2902","0.0019","21.3553","0.0016","36.871","0.003","90","","101.089","0.003","90","","21860","3","173","2","172.99","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C210 H228 Ag2 F18 Ir6 N24 O26 S6 -","- C191.5 H182 Ag2 F10.5 Ir6 N22 O10.5 S3.5 -","- C766 H728 Ag8 F42 Ir24 N88 O42 S14 -","4","1","","Zhang, Hai-Ning; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Reversible Structural Transformation between a Molecular Solomon Link and an Unusual Unsymmetrical Trefoil Knot.","Journal of the American Chemical Society","2019","141","40","16057","16063","10.1021/jacs.9b08254","","","1.34139","GaKα","","0.0778","0.0589","","","0.1645","0.1794","","","","","","1.061","","","","has coordinates,has disorder","221461","2020-10-21","18:00:00",""
"4128339","7.9241","0.0007","9.4871","0.0009","16.0357","0.0014","90","","90","","90","","1205.51","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Cl2 N O3 -","- C11 H11 Cl2 N O3 -","- C44 H44 Cl8 N4 O12 -","4","1","","Fager, Diana C.; Lee, KyungA; Hoveyda, Amir H.","Catalytic Enantioselective Addition of an Allyl Group to Ketones Containing a Tri-, a Di-, or a Monohalomethyl Moiety. Stereochemical Control Based on Distinctive Electronic and Steric Attributes of C-Cl, C-Br, and C-F Bonds.","Journal of the American Chemical Society","2019","141","40","16125","16138","10.1021/jacs.9b08443","","","1.54178","CuKα","","0.0219","0.0218","","","0.0561","0.0562","","","","","","1.068","","","","has coordinates","221462","2020-10-21","18:00:00",""
"4128340","5.7046","0.0003","7.4441","0.0004","35.724","0.002","90","","90","","90","","1517.04","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br F O3 -","- C17 H16 Br F O3 -","- C68 H64 Br4 F4 O12 -","4","1","","Fager, Diana C.; Lee, KyungA; Hoveyda, Amir H.","Catalytic Enantioselective Addition of an Allyl Group to Ketones Containing a Tri-, a Di-, or a Monohalomethyl Moiety. Stereochemical Control Based on Distinctive Electronic and Steric Attributes of C-Cl, C-Br, and C-F Bonds.","Journal of the American Chemical Society","2019","141","40","16125","16138","10.1021/jacs.9b08443","","","1.54178","CuKα","","0.0445","0.0444","","","0.1143","0.1144","","","","","","1.3","","","","has coordinates","221463","2020-10-21","18:00:00",""
"4128341","5.3574","0.0002","9.2902","0.0004","28.0903","0.001","90","","90","","90","","1398.09","0.09","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 F4 N3 O -","- C14 H13 F4 N3 O -","- C56 H52 F16 N12 O4 -","4","1","","Fager, Diana C.; Lee, KyungA; Hoveyda, Amir H.","Catalytic Enantioselective Addition of an Allyl Group to Ketones Containing a Tri-, a Di-, or a Monohalomethyl Moiety. Stereochemical Control Based on Distinctive Electronic and Steric Attributes of C-Cl, C-Br, and C-F Bonds.","Journal of the American Chemical Society","2019","141","40","16125","16138","10.1021/jacs.9b08443","","","1.54178","CuKα","","0.0285","0.0278","","","0.075","0.0755","","","","","","1.053","","","","has coordinates","221464","2020-10-21","18:00:00",""
"4128342","8.0561","0.0006","6.0406","0.0004","14.5291","0.001","90","","98.325","0.002","90","","699.59","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 Cl3 O2 -","- C15 H13 Cl3 O2 -","- C30 H26 Cl6 O4 -","2","1","","Fager, Diana C.; Lee, KyungA; Hoveyda, Amir H.","Catalytic Enantioselective Addition of an Allyl Group to Ketones Containing a Tri-, a Di-, or a Monohalomethyl Moiety. Stereochemical Control Based on Distinctive Electronic and Steric Attributes of C-Cl, C-Br, and C-F Bonds.","Journal of the American Chemical Society","2019","141","40","16125","16138","10.1021/jacs.9b08443","","","1.54178","CuKα","","0.0674","0.0673","","","0.1728","0.1729","","","","","","1.109","","","","has coordinates","221465","2020-10-21","18:00:00",""
"4128343","13.0565","0.0004","15.3284","0.0005","30.5271","0.001","92.426","0.002","90.698","0.001","106.598","0.001","5847.9","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H123 F12 N4 O6 P6 Pt2 -","- C92 H123 F12 N4 O6 P6 Pt2 -","- C184 H246 F24 N8 O12 P12 Pt4 -","2","1","","Huo, Gui-Fei; Shi, Xueliang; Tu, Qian; Hu, Yi-Xiong; Wu, Gui-Yuan; Yin, Guang-Qiang; Li, Xiaopeng; Xu, Lin; Ding, Hong-Ming; Yang, Hai-Bo","Radical-Induced Hierarchical Self-Assembly Involving Supramolecular Coordination Complexes in Both Solution and Solid States.","Journal of the American Chemical Society","2019","141","40","16014","16023","10.1021/jacs.9b08149","","","1.54178","CuKα","","0.0824","0.0644","","","0.1759","0.1921","","","","","","1.056","","","","has coordinates","221466","2020-10-21","18:00:00",""
"4128344","26.1116","0.0003","12.5972","0.0002","14.3418","0.0002","90","","90","","90","","4717.49","0.11","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H34 Cl3 P2 Pt -","- C19 H34 Cl3 P2 Pt -","- C152 H272 Cl24 P16 Pt8 -","8","1","","Huo, Gui-Fei; Shi, Xueliang; Tu, Qian; Hu, Yi-Xiong; Wu, Gui-Yuan; Yin, Guang-Qiang; Li, Xiaopeng; Xu, Lin; Ding, Hong-Ming; Yang, Hai-Bo","Radical-Induced Hierarchical Self-Assembly Involving Supramolecular Coordination Complexes in Both Solution and Solid States.","Journal of the American Chemical Society","2019","141","40","16014","16023","10.1021/jacs.9b08149","","x-ray","1.54184","CuKα","","0.0612","0.0507","","","0.1271","0.134","","","","","","1.043","","","","has coordinates","221467","2020-10-21","18:00:00",""
"4128345","10.6217","0.0008","19.9663","0.0016","24.0398","0.0018","96.588","0.003","100.265","0.003","96.237","0.003","4939.9","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H48 F6 N2 O P3 Pt -","- C39 H48 F6 N2 O P3 Pt -","- C156 H192 F24 N8 O4 P12 Pt4 -","4","2","","Huo, Gui-Fei; Shi, Xueliang; Tu, Qian; Hu, Yi-Xiong; Wu, Gui-Yuan; Yin, Guang-Qiang; Li, Xiaopeng; Xu, Lin; Ding, Hong-Ming; Yang, Hai-Bo","Radical-Induced Hierarchical Self-Assembly Involving Supramolecular Coordination Complexes in Both Solution and Solid States.","Journal of the American Chemical Society","2019","141","40","16014","16023","10.1021/jacs.9b08149","","","1.54178","CuKα","","0.0696","0.0616","","","0.1752","0.1863","","","","","","1.076","","","","has coordinates","221468","2020-10-21","18:00:00",""
"4128346","16.2584","0.0002","17.3297","0.0003","25.0056","0.0004","107.614","0.001","91.395","0.001","117.174","0.001","5863.12","0.17","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H162 Au24 Hg S18 -","- C72 H162 Au24.0004 Hg0.9996 S18 -","- C144 H324 Au48.0008 Hg1.9992 S36 -","2","1","","Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio","Metal Doping of Au<sub>25</sub>(SR)<sub>18</sub><sup>-</sup> Clusters: Insights and Hindsights.","Journal of the American Chemical Society","2019","141","40","16033","16045","10.1021/jacs.9b08228","","x-ray","1.54184","CuKα","","0.0437","0.0396","","","0.104","0.1075","","","","","","1.04","","","","has coordinates,has disorder","221469","2020-10-21","18:00:00",""
"4128347","16.2535","0.0002","17.3097","0.0002","25.0233","0.0003","107.579","0.001","91.4","0.001","117.251","0.001","5855.46","0.14","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H162 Au24 Cd S18 -","- C72 H162 Au24.0004 Cd0.9996 S18 -","- C144 H324 Au48.0008 Cd1.9992 S36 -","2","1","","Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio","Metal Doping of Au<sub>25</sub>(SR)<sub>18</sub><sup>-</sup> Clusters: Insights and Hindsights.","Journal of the American Chemical Society","2019","141","40","16033","16045","10.1021/jacs.9b08228","","x-ray","1.54184","CuKα","","0.052","0.0481","","","0.1275","0.1322","","","","","","1.039","","","","has coordinates,has disorder","221470","2020-10-21","18:00:00",""
"4128348","31.3135","0.0005","27.0073","0.0003","18.5226","0.0002","90","","90","","90","","15664.4","0.3","120","0.1","120","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144 H162 Au24 Cd S18 -","- C144 H162 Au24.0004 Cd0.9996 S18 -","- C576 H648 Au96.0016 Cd3.9984 S72 -","4","0.5","","Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio","Metal Doping of Au<sub>25</sub>(SR)<sub>18</sub><sup>-</sup> Clusters: Insights and Hindsights.","Journal of the American Chemical Society","2019","141","40","16033","16045","10.1021/jacs.9b08228","","x-ray","1.54184","CuKα","","0.0652","0.0559","","","0.1453","0.152","","","","","","1.059","","","","has coordinates,has disorder","221471","2020-10-21","18:00:00",""
"4128349","31.2563","0.0011","26.9439","0.0005","18.457","0.0005","90","","90","","90","","15543.9","0.7","120.01","0.1","120.01","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144 H162 Au24 Hg S18 -","- C144 H162 Au24.0004 Hg0.9996 S18 -","- C576 H648 Au96.0016 Hg3.9984 S72 -","4","0.5","","Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio","Metal Doping of Au<sub>25</sub>(SR)<sub>18</sub><sup>-</sup> Clusters: Insights and Hindsights.","Journal of the American Chemical Society","2019","141","40","16033","16045","10.1021/jacs.9b08228","","x-ray","0.71073","MoKα","","0.1395","0.0824","","","0.1301","0.1504","","","","","","1.136","","","","has coordinates,has disorder","221472","2020-10-21","18:00:00",""
"4128350","31.2914","0.0004","27.0095","0.0003","18.5163","0.0002","90","","90","","90","","15649.3","0.3","120.01","0.1","120.01","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144 H162 Au24 Hg S18 -","- C144 H162 Au24.0004 Hg0.9996 S18 -","- C576 H648 Au96.0016 Hg3.9984 S72 -","4","0.5","","Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio","Metal Doping of Au<sub>25</sub>(SR)<sub>18</sub><sup>-</sup> Clusters: Insights and Hindsights.","Journal of the American Chemical Society","2019","141","40","16033","16045","10.1021/jacs.9b08228","","x-ray","0.71073","MoKα","","0.0497","0.0407","","","0.0797","0.0826","","","","","","1.235","","","","has coordinates,has disorder","221473","2020-10-21","18:00:00",""
"4128351","16.2635","0.0002","17.3283","0.0002","25.0097","0.0003","107.58","0.001","91.337","0.001","117.222","0.001","5865.4","0.14","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H162 Au24 Cd S18 -","- C72 H162 Au24.0002 Cd0.9998 S18 -","- C144 H324 Au48.0004 Cd1.9996 S36 -","2","1","","Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio","Metal Doping of Au<sub>25</sub>(SR)<sub>18</sub><sup>-</sup> Clusters: Insights and Hindsights.","Journal of the American Chemical Society","2019","141","40","16033","16045","10.1021/jacs.9b08228","","x-ray","1.54184","CuKα","","0.0432","0.0399","","","0.1043","0.1075","","","","","","1.026","","","","has coordinates,has disorder","221474","2020-10-21","18:00:00",""
"4128352","13.615","0.002","5.6025","0.0007","20.277","0.003","90","","104.195","0.005","90","","1499.5","0.4","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Br O2 -","- C15 H19 Br O2 -","- C60 H76 Br4 O8 -","4","1","","Gao, Qianwen; Shang, Yong; Song, Fuzhen; Ye, Jinxiang; Liu, Ze-Shui; Li, Lisha; Cheng, Hong-Gang; Zhou, Qianghui","Modular Dual-Tasked C-H Methylation via the Catellani Strategy.","Journal of the American Chemical Society","2019","141","40","15986","15993","10.1021/jacs.9b07857","","","0.71073","MoKα","","0.0525","0.0386","","","0.1053","0.1223","","","","","","1.113","","","","has coordinates","221475","2020-10-21","18:00:00",""
"4128353","16.7047","0.0006","14.256","0.0006","17.8359","0.0006","90","","122.014","0.003","90","","3601.5","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 F N3 -","- C23 H18 F N3 -","- C184 H144 F8 N24 -","8","2","","Le Fouler, Vincent; Chen, Yu; Gandon, Vincent; Bizet, Vincent; Salomé, Christophe; Fessard, Thomas; Liu, Fang; Houk, K. N.; Blanchard, Nicolas","Activating Pyrimidines by Pre-distortion for the General Synthesis of 7-Aza-indazoles from 2-Hydrazonylpyrimidines via Intramolecular Diels-Alder Reactions.","Journal of the American Chemical Society","2019","141","40","15901","15909","10.1021/jacs.9b07037","","","0.71073","MoKα","","0.0603","0.0491","","","0.1114","0.1173","","","","","","1.076","","","","has coordinates,has disorder","221476","2020-10-21","18:00:00",""
"4128354","8.0215","0.0003","10.3318","0.0004","12.9525","0.0005","73.191","0.001","89.769","0.001","75.301","0.001","991.17","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 F N4 O2 -","- C22 H25 F N4 O2 -","- C44 H50 F2 N8 O4 -","2","1","","Le Fouler, Vincent; Chen, Yu; Gandon, Vincent; Bizet, Vincent; Salomé, Christophe; Fessard, Thomas; Liu, Fang; Houk, K. N.; Blanchard, Nicolas","Activating Pyrimidines by Pre-distortion for the General Synthesis of 7-Aza-indazoles from 2-Hydrazonylpyrimidines via Intramolecular Diels-Alder Reactions.","Journal of the American Chemical Society","2019","141","40","15901","15909","10.1021/jacs.9b07037","","","0.71073","MoKα","","0.1409","0.0962","","","0.1272","0.145","","","","","","1.245","","","","has coordinates","221477","2020-10-21","18:00:00",""
"4128355","10.1762","0.0001","13.3486","0.0002","14.3784","0.0002","65.334","0.001","71.413","0.001","77.355","0.001","1673.96","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 F N3 -","- C13 H10 F N3 -","- C78 H60 F6 N18 -","6","3","","Le Fouler, Vincent; Chen, Yu; Gandon, Vincent; Bizet, Vincent; Salomé, Christophe; Fessard, Thomas; Liu, Fang; Houk, K. N.; Blanchard, Nicolas","Activating Pyrimidines by Pre-distortion for the General Synthesis of 7-Aza-indazoles from 2-Hydrazonylpyrimidines via Intramolecular Diels-Alder Reactions.","Journal of the American Chemical Society","2019","141","40","15901","15909","10.1021/jacs.9b07037","","","1.54178","CuKα","","0.0452","0.0374","","","0.098","0.1049","","","","","","1.019","","","","has coordinates","221478","2020-10-21","18:00:00",""
"4128356","12.2141","0.0006","11.1208","0.0006","9.4452","0.0003","90","","105.823","0.003","90","","1234.33","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F N4 -","- C14 H11 F N4 -","- C56 H44 F4 N16 -","4","1","","Le Fouler, Vincent; Chen, Yu; Gandon, Vincent; Bizet, Vincent; Salomé, Christophe; Fessard, Thomas; Liu, Fang; Houk, K. N.; Blanchard, Nicolas","Activating Pyrimidines by Pre-distortion for the General Synthesis of 7-Aza-indazoles from 2-Hydrazonylpyrimidines via Intramolecular Diels-Alder Reactions.","Journal of the American Chemical Society","2019","141","40","15901","15909","10.1021/jacs.9b07037","","","0.71073","MoKα","","0.1213","0.1006","","","0.2062","0.2221","","","","","","1.448","","","","has coordinates","221479","2020-10-21","18:00:00",""
"4128357","9.757","0.0002","11.3567","0.0002","13.6657","0.0002","82.028","0.001","80.377","0.001","72.198","0.001","1415.27","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 F N3 -","- C17 H14 F N3 -","- C68 H56 F4 N12 -","4","2","","Le Fouler, Vincent; Chen, Yu; Gandon, Vincent; Bizet, Vincent; Salomé, Christophe; Fessard, Thomas; Liu, Fang; Houk, K. N.; Blanchard, Nicolas","Activating Pyrimidines by Pre-distortion for the General Synthesis of 7-Aza-indazoles from 2-Hydrazonylpyrimidines via Intramolecular Diels-Alder Reactions.","Journal of the American Chemical Society","2019","141","40","15901","15909","10.1021/jacs.9b07037","","","1.54178","CuKα","","0.0448","0.038","","","0.0925","0.0973","","","","","","1.041","","","","has coordinates,has disorder","221480","2020-10-21","18:00:00",""
"4128358","13.429","0.003","6.695","0.002","7.259","0.002","90","0.03","90","0.03","90","0.03","652.6","0.3","88","2","88","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C3 H N3 O3 Rb2 -","- C3 H N3 O3 Rb2 -","- C12 H4 N12 O12 Rb8 -","4","0.25","","Lu, Jing; Lian, Yu-Kun; Xiong, Lin; Wu, Qian-Ru; Zhao, Min; Shi, Ke-Xin; Chen, Ling; Wu, Li-Ming","How To Maximize Birefringence and Nonlinearity of π-Conjugated Cyanurates.","Journal of the American Chemical Society","2019","141","40","16151","16159","10.1021/jacs.9b08851","","","0.71073","MoKα","","0.0683","0.062","","","0.1721","0.1781","","","","","","1.21","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4128359","3.4142","0.0018","16.974","0.011","11.176","0.008","90","","90.92","0.02","90","","647.6","0.7","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 Li2 N3 O5 -","- C3 H5 Li2 N3 O5 -","- C12 H20 Li8 N12 O20 -","4","1","","Lu, Jing; Lian, Yu-Kun; Xiong, Lin; Wu, Qian-Ru; Zhao, Min; Shi, Ke-Xin; Chen, Ling; Wu, Li-Ming","How To Maximize Birefringence and Nonlinearity of π-Conjugated Cyanurates.","Journal of the American Chemical Society","2019","141","40","16151","16159","10.1021/jacs.9b08851","","","0.71073","MoKα","","0.0587","0.0403","","","0.0807","0.0865","","","","","","1.028","","","","has coordinates","221482","2020-10-21","18:00:00",""
"4128360","15.689","0.003","3.7585","0.0008","12.759","0.002","90","","90","","90","","752.4","0.2","273","2","273","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C3 H4 Cs0 Li N3 O5 Rb -","- C3 H4 Li N3 O5 Rb -","- C12 H16 Li4 N12 O20 Rb4 -","4","1","","Lu, Jing; Lian, Yu-Kun; Xiong, Lin; Wu, Qian-Ru; Zhao, Min; Shi, Ke-Xin; Chen, Ling; Wu, Li-Ming","How To Maximize Birefringence and Nonlinearity of π-Conjugated Cyanurates.","Journal of the American Chemical Society","2019","141","40","16151","16159","10.1021/jacs.9b08851","","","0.71073","MoKα","","0.0619","0.0459","","","0.1029","0.1095","","","","","","1.082","","","","has coordinates","221483","2020-10-21","18:00:00",""
"4128361","31.791","0.005","31.791","0.005","45.798","0.009","90","","90","","120","","40085","12","173","2","173","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C194 H148 N10 O20 -","- C194 H148 N10 O20 -","- C1164 H888 N60 O120 -","6","1","","Meng, Dong; Liu, Guogang; Xiao, Chengyi; Shi, Yanjun; Zhang, Lei; Jiang, Lang; Baldridge, Kim K.; Li, Yan; Siegel, Jay S.; Wang, Zhaohui","Corannurylene Pentapetalae.","Journal of the American Chemical Society","2019","141","13","5402","5408","10.1021/jacs.9b00053","","","0.71073","MoKα","","0.3206","0.2756","","","0.5701","0.6104","","","","","","1.519","","","","has coordinates","221484","2020-10-21","18:00:00",""
"4128362","21.504","0.004","22.883","0.005","44.815","0.009","96.64","0.004","100.37","0.006","109.8","0.009","20035","7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C191 H142 N10 O20 -","- C191 H142 N10 O20 -","- C764 H568 N40 O80 -","4","2","","Meng, Dong; Liu, Guogang; Xiao, Chengyi; Shi, Yanjun; Zhang, Lei; Jiang, Lang; Baldridge, Kim K.; Li, Yan; Siegel, Jay S.; Wang, Zhaohui","Corannurylene Pentapetalae.","Journal of the American Chemical Society","2019","141","13","5402","5408","10.1021/jacs.9b00053","","","0.88557","synchrotron","","0.3473","0.2807","","","0.571","0.6103","","","","","","1.973","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4128363","27.2333","0.0015","27.3279","0.0015","32.2689","0.0018","101.089","0.001","91.74","0.001","107.559","0.001","22369","2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C273.27 H366.41 N89.81 O140.75 Pd12 -","- C273.268 H366.408 N89.809 O140.745 Pd11.999 -","- C546.536 H732.816 N179.618 O281.49 Pd23.998 -","2","1","","Takezawa, Hiroki; Kanda, Tomoya; Nanjo, Hikaru; Fujita, Makoto","Site-Selective Functionalization of Linear Diterpenoids through U-Shaped Folding in a Confined Artificial Cavity.","Journal of the American Chemical Society","2019","141","13","5112","5115","10.1021/jacs.9b00131","","","0.71073","MoKα","","0.1884","0.0936","","","0.2613","0.3328","","","","","","1.019","","","","has coordinates,has disorder","221486","2020-10-21","18:00:00",""
"4128364","27.413","0.004","27.587","0.004","32.476","0.005","100.778","0.002","91.868","0.002","107.512","0.002","22905","6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C249.04 H325.16 N83.49 O104.67 Pd12 -","- C249.043 H325.158 N83.49 O104.666 Pd12 -","- C498.086 H650.316 N166.98 O209.332 Pd24 -","2","1","","Takezawa, Hiroki; Kanda, Tomoya; Nanjo, Hikaru; Fujita, Makoto","Site-Selective Functionalization of Linear Diterpenoids through U-Shaped Folding in a Confined Artificial Cavity.","Journal of the American Chemical Society","2019","141","13","5112","5115","10.1021/jacs.9b00131","","","0.71073","MoKα","","0.121","0.0865","","","0.272","0.2977","","","","","","1.042","","","","has coordinates,has disorder","221487","2020-10-21","18:00:00",""
"4128365","27.2824","0.0007","27.3856","0.0007","32.624","0.0008","100.843","0.001","92.109","0.001","107.136","0.001","22766.2","1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C127 H166.74 N41.46 O53.42 Pd6 -","- C126.997 H166.734 N41.4555 O53.418 Pd6 -","- C507.988 H666.938 N165.822 O213.672 Pd24 -","4","2","","Takezawa, Hiroki; Kanda, Tomoya; Nanjo, Hikaru; Fujita, Makoto","Site-Selective Functionalization of Linear Diterpenoids through U-Shaped Folding in a Confined Artificial Cavity.","Journal of the American Chemical Society","2019","141","13","5112","5115","10.1021/jacs.9b00131","","","0.71073","MoKα","","0.1447","0.0968","","","0.2928","0.3225","","","","","","1.106","","","","has coordinates,has disorder","221488","2020-10-21","18:00:00",""
"4128366","18.5092","0.0002","18.5092","0.0002","12.7134","0.0001","90","","90","","120","","3771.96","0.06","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C21 H26 B Br2 N O2 -","- C21 H26 B Br2 N O2 -","- C126 H156 B6 Br12 N6 O12 -","6","1","","Zou, Xiaoliang; Zhao, Haonan; Li, Yinwu; Gao, Qian; Ke, Zhuofeng; Senmiao Xu, ?","Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Asymmetric C(sp<sup>2</sup>)-H Borylation of Diarylmethylamines.","Journal of the American Chemical Society","2019","141","13","5334","5342","10.1021/jacs.8b13756","","x-ray","1.54184","CuKα","","0.0509","0.0488","","","0.1487","0.1518","","","","","","1.1","","","","has coordinates","221489","2020-10-21","18:00:00",""
"4128367","12.233","0.0001","18.2364","0.0001","19.0123","0.0001","90","","90","","90","","4241.38","0.05","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C38 H45 B Cl Ir N2 O Si -","- C38 H45 B Cl Ir N2 O Si -","- C152 H180 B4 Cl4 Ir4 N8 O4 Si4 -","4","1","","Zou, Xiaoliang; Zhao, Haonan; Li, Yinwu; Gao, Qian; Ke, Zhuofeng; Senmiao Xu, ?","Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Asymmetric C(sp<sup>2</sup>)-H Borylation of Diarylmethylamines.","Journal of the American Chemical Society","2019","141","13","5334","5342","10.1021/jacs.8b13756","","x-ray","1.54184","CuKα","","0.0449","0.0444","","","0.1111","0.1115","","","","","","1.004","","","","has coordinates","221490","2020-10-21","18:00:00",""
"4128368","7.4113","0.0002","9.563","0.0002","18.357","0.0005","90","","90","","90","","1301.04","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","","Zou, Xiaoliang; Zhao, Haonan; Li, Yinwu; Gao, Qian; Ke, Zhuofeng; Senmiao Xu, ?","Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Asymmetric C(sp<sup>2</sup>)-H Borylation of Diarylmethylamines.","Journal of the American Chemical Society","2019","141","13","5334","5342","10.1021/jacs.8b13756","","x-ray","1.54184","CuKα","","0.0383","0.0337","","","0.0867","0.0894","","","","","","1.001","","","","has coordinates","221491","2020-10-21","18:00:00",""
"4128369","7.76362","0.00014","21.0599","0.0004","9.84571","0.00014","90","","96.0573","0.0015","90","","1600.8","0.05","99.98","0.1","99.98","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C76 H76 Br4 O8 -","4","1","","Holt, Connor; Alachouzos, Georgios; Frontier, Alison J.","Leveraging the Halo-Nazarov Cyclization for the Chemodivergent Assembly of Functionalized Haloindenes and Indanones.","Journal of the American Chemical Society","2019","141","13","5461","5469","10.1021/jacs.9b00198","","x-ray","1.54184","CuKα","","0.0432","0.0419","","","0.1128","0.1158","","","","","","1.088","","","","has coordinates","221492","2020-10-21","18:00:00",""
"4128370","17.9455","0.0006","4.9568","0.0001","19.3568","0.0007","90","","112.704","0.004","90","","1588.41","0.1","100.01","0.12","100.01","0.12","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C76 H76 Br4 O8 -","4","1","","Holt, Connor; Alachouzos, Georgios; Frontier, Alison J.","Leveraging the Halo-Nazarov Cyclization for the Chemodivergent Assembly of Functionalized Haloindenes and Indanones.","Journal of the American Chemical Society","2019","141","13","5461","5469","10.1021/jacs.9b00198","","x-ray","1.54184","CuKα","","0.0556","0.0541","","","0.1409","0.1428","","","","","","1.082","","","","has coordinates","221493","2020-10-21","18:00:00",""
"4128371","9.2478","0.0001","9.9984","0.0001","17.5641","0.0001","90","","90","","90","","1624.03","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C84 H88 O8 -","4","1","","Holt, Connor; Alachouzos, Georgios; Frontier, Alison J.","Leveraging the Halo-Nazarov Cyclization for the Chemodivergent Assembly of Functionalized Haloindenes and Indanones.","Journal of the American Chemical Society","2019","141","13","5461","5469","10.1021/jacs.9b00198","","x-ray","1.54184","CuKα","","0.0294","0.0291","","","0.0744","0.075","","","","","","1.05","","","","has coordinates","221494","2020-10-21","18:00:00",""
"4128372","13.8662","0.0003","17.1025","0.0003","19.5603","0.0004","90","","90","","90","","4638.66","0.16","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","LCuOArH","LCuOArH","","- C45 H62 Cu N4 O3 -","- C45 H62 Cu N4 O3 -","- C180 H248 Cu4 N16 O12 -","4","1","","Bailey, Wilson D.; Dhar, Debanjan; Cramblitt, Anna C.; Tolman, William B.","Mechanistic Dichotomy in Proton-Coupled Electron-Transfer Reactions of Phenols with a Copper Superoxide Complex.","Journal of the American Chemical Society","2019","141","13","5470","5480","10.1021/jacs.9b00466","","","1.54178","CuKα","","0.0259","0.0258","","","0.0685","0.0687","","","","","","1.204","","","","has coordinates","221495","2020-10-21","18:00:00",""
"4128373","14.1362","0.0004","18.2096","0.0006","19.4267","0.0006","90","","103.126","0.001","90","","4870.1","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LCuOArOMe","LCuOArOMe","","- C50 H74 Cu N4 O5 -","- C50 H74 Cu N4 O5 -","- C200 H296 Cu4 N16 O20 -","4","1","","Bailey, Wilson D.; Dhar, Debanjan; Cramblitt, Anna C.; Tolman, William B.","Mechanistic Dichotomy in Proton-Coupled Electron-Transfer Reactions of Phenols with a Copper Superoxide Complex.","Journal of the American Chemical Society","2019","141","13","5470","5480","10.1021/jacs.9b00466","","","1.54178","CuKα","","0.0659","0.0621","","","0.1798","0.1846","","","","","","1.017","","","","has coordinates,has disorder","221495","2020-10-21","18:00:00",""
"4128374","12.804","0.0019","19.802","0.003","24.105","0.004","90","","92.625","0.004","90","","6105.3","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LCuOArNMe2","LCuOArNMe2","","- C39 H47 Cu N4 O3 -","- C39 H47 Cu N4 O3 -","- C156 H188 Cu4 N16 O12 -","4","1","","Bailey, Wilson D.; Dhar, Debanjan; Cramblitt, Anna C.; Tolman, William B.","Mechanistic Dichotomy in Proton-Coupled Electron-Transfer Reactions of Phenols with a Copper Superoxide Complex.","Journal of the American Chemical Society","2019","141","13","5470","5480","10.1021/jacs.9b00466","","","0.71073","MoKα","","0.1694","0.1568","","","0.468","0.4809","","","","","","2.206","","","","has coordinates","221495","2020-10-21","18:00:00",""
"4128375","18.1486","0.0005","20.9685","0.0006","18.7151","0.0005","90","","109.125","0.001","90","","6728.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H110 B6 N2 O2 P2 Si4 -","- C55 H110 B6 N2 O2 P2 Si4 -","- C220 H440 B24 N8 O8 P8 Si16 -","4","1","","Lu, Wei; Li, Yongxin; Kinjo, Rei","Crystalline Tetraatomic Boron(0) Species.","Journal of the American Chemical Society","2019","141","13","5164","5168","10.1021/jacs.9b02173","","","1.54178","CuKα","","0.0512","0.0466","","","0.1176","0.1218","","","","","","1.04","","","","has coordinates,has disorder","221496","2020-10-21","18:00:00",""
"4128376","15.1739","0.0003","15.9697","0.0002","24.5541","0.0004","77.863","0.001","86.54","0.002","69.678","0.002","5454.42","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H170 N6 O3 Re3 U -","- C116 H170 N6 O3 Re3 U -","- C232 H340 N12 O6 Re6 U2 -","2","1","","Boreen, Michael A.; Lohrey, Trevor D.; Rao, Guodong; Britt, R. David; Maron, Laurent; Arnold, John","A Uranium Tri-Rhenium Triple Inverse Sandwich Compound.","Journal of the American Chemical Society","2019","141","13","5144","5148","10.1021/jacs.9b01331","","","0.71073","MoKα","","0.0401","0.029","","","0.0623","0.0654","","","","","","1.034","","","","has coordinates,has disorder","221497","2020-10-21","18:00:00",""
"4128377","13.1634","0.0004","16.7458","0.0005","25.515","0.0008","98.327","0.002","90.663","0.002","109.671","0.001","5229.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1THF","","","- C112 H160 N6 O Re3 U -","- C112 H160 N6 O Re3 U -","- C224 H320 N12 O2 Re6 U2 -","2","1","","Boreen, Michael A.; Lohrey, Trevor D.; Rao, Guodong; Britt, R. David; Maron, Laurent; Arnold, John","A Uranium Tri-Rhenium Triple Inverse Sandwich Compound.","Journal of the American Chemical Society","2019","141","13","5144","5148","10.1021/jacs.9b01331","","","0.71073","MoKα","","0.0513","0.0345","","","0.0833","0.093","","","","","","1.05","","","","has coordinates,has disorder","221498","2020-10-21","18:00:00",""
"4128378","16.8272","0.0008","19.4767","0.0009","30.7821","0.0015","90","","98.321","0.002","90","","9982.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C109 H148 N8 Re3 U -","- C109 H148 N8 Re3 U -","- C436 H592 N32 Re12 U4 -","4","1","","Boreen, Michael A.; Lohrey, Trevor D.; Rao, Guodong; Britt, R. David; Maron, Laurent; Arnold, John","A Uranium Tri-Rhenium Triple Inverse Sandwich Compound.","Journal of the American Chemical Society","2019","141","13","5144","5148","10.1021/jacs.9b01331","","","0.7288","synchrotron","","0.032","0.0289","","","0.0726","0.0743","","","","","","1.026","","","","has coordinates,has disorder","221499","2020-10-21","18:00:00",""
"4128379","45.7488","0.0013","31.7238","0.0013","31.6653","0.0008","90","","122.171","0.004","90","","38901","3","150","0.1","150","0.1","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C258 H90 -","- C258 H90 -","- C1032 H360 -","4","1","","Zhu, Yanpeng; Guo, Xiaoyu; Li, Yang; Wang, Jiaobing","Fusing of Seven HBCs toward a Green Nanographene Propeller.","Journal of the American Chemical Society","2019","141","13","5511","5517","10.1021/jacs.9b01266","","x-ray","1.54178","CuKα","","0.1222","0.0931","","","0.208","0.2254","","","","","","0.899","","","","has coordinates","221500","2020-10-21","18:00:00",""
"4128380","12.5003","0.0011","8.0481","0.0007","16.3678","0.0017","90","","102.908","0.006","90","","1605","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 O4 S2 -","- C17 H16 O4 S2 -","- C68 H64 O16 S8 -","4","0.5","","Dolgopolova, Ekaterina A.; Galitskiy, Vladimir A.; Martin, Corey R.; Gregory, Haley N.; Yarbrough, Brandon J.; Rice, Allison M.; Berseneva, Anna A.; Ejegbavwo, Otega A.; Stephenson, Kenneth S.; Kittikhunnatham, Preecha; Karakalos, Stavros G.; Smith, Mark D.; Greytak, Andrew B.; Garashchuk, Sophya; Shustova, Natalia B.","Connecting Wires: Photoinduced Electronic Structure Modulation in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","13","5350","5358","10.1021/jacs.8b13853","","x-ray","0.71073","MoKα","","0.0715","0.0506","","","0.1218","0.1335","","","","","","1.076","","","","has coordinates","221501","2020-10-21","18:00:00",""
"4128381","11.4319","0.0004","15.7328","0.0006","18.3308","0.0007","90","","90","","90","","3296.9","0.2","301","2","301","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- C51 H28 Br2 N2 O9 Zn2 -","- C50 H28 Br2 N2 O8 Zn2 -","- C50 H28 Br2 N2 O8 Zn2 -","1","0.125","","Dolgopolova, Ekaterina A.; Galitskiy, Vladimir A.; Martin, Corey R.; Gregory, Haley N.; Yarbrough, Brandon J.; Rice, Allison M.; Berseneva, Anna A.; Ejegbavwo, Otega A.; Stephenson, Kenneth S.; Kittikhunnatham, Preecha; Karakalos, Stavros G.; Smith, Mark D.; Greytak, Andrew B.; Garashchuk, Sophya; Shustova, Natalia B.","Connecting Wires: Photoinduced Electronic Structure Modulation in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","13","5350","5358","10.1021/jacs.8b13853","","x-ray","0.71073","MoKα","","0.0548","0.0495","","","0.1469","0.1543","","","","","","1.124","","","","has coordinates,has disorder","221502","2020-10-21","18:00:00",""
"4128382","26.4692","0.0019","17.4806","0.0013","29.688","0.002","90","","103.562","0.002","90","","13353.5","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H42 N2 O8 S2 Zn2 -","- C57 H42 N2 O8 S2 Zn2 -","- C456 H336 N16 O64 S16 Zn16 -","8","2","","Dolgopolova, Ekaterina A.; Galitskiy, Vladimir A.; Martin, Corey R.; Gregory, Haley N.; Yarbrough, Brandon J.; Rice, Allison M.; Berseneva, Anna A.; Ejegbavwo, Otega A.; Stephenson, Kenneth S.; Kittikhunnatham, Preecha; Karakalos, Stavros G.; Smith, Mark D.; Greytak, Andrew B.; Garashchuk, Sophya; Shustova, Natalia B.","Connecting Wires: Photoinduced Electronic Structure Modulation in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","13","5350","5358","10.1021/jacs.8b13853","","x-ray","0.71073","MoKα","","0.1305","0.0866","","","0.2067","0.2308","","","","","","1.027","","","","has coordinates,has disorder","221503","2020-10-21","18:00:00",""
"4128383","5.4657","0.0002","13.2961","0.0005","25.2012","0.0011","90","","90","","90","","1831.43","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Br N3 O -","- C21 H20 Br N3 O -","- C84 H80 Br4 N12 O4 -","4","1","","Liu, En-Chih; Topczewski, Joseph J.","Enantioselective Copper Catalyzed Alkyne-Azide Cycloaddition by Dynamic Kinetic Resolution.","Journal of the American Chemical Society","2019","141","13","5135","5138","10.1021/jacs.9b01091","","","0.71073","MoKα","","0.0342","0.0286","","","0.0589","0.0607","","","","","","1.023","","","","has coordinates","221504","2020-10-21","18:00:00",""
"4128384","18.6122","0.0004","22.6992","0.0004","27.114","0.0005","90","","90","","90","","11455.2","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O7 S Si -","- C25 H38 O7 S Si -","- C400 H608 O112 S16 Si16 -","16","4","","Dimakos, Victoria; Su, Hsin Y.; Garrett, Graham E.; Taylor, Mark S.","Site-Selective and Stereoselective C-H Alkylations of Carbohydrates via Combined Diarylborinic Acid and Photoredox Catalysis.","Journal of the American Chemical Society","2019","141","13","5149","5153","10.1021/jacs.9b01531","","","1.54178","CuKα","","0.0779","0.0674","","","0.1855","0.199","","","","","","1.007","","","","has coordinates,has disorder","221505","2020-10-21","18:00:00",""
"4128385","41.3091","0.0013","8.9764","0.0003","8.8719","0.0003","90","","95.0826","0.0018","90","","3276.83","0.19","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","Pentylammonium Methylammonium Lead iodide","","","- C11 H34 I7 N3 Pb2 -","- C11 H34 I7 N3 Pb2 -","- C44 H136 I28 N12 Pb8 -","4","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.0588","0.0421","","","0.1111","0.1194","","","","1.54","1.54","1.42","","","","has coordinates","221506","2020-10-21","18:00:00",""
"4128386","39.454","0.0007","8.9418","0.0006","8.893","0.003","90","","93.698","0.004","90","","3130.8","1.1","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","Pentylammonium Methylammonium Lead iodide","","","- C14 H52 I16 N6 Pb5 -","- C14 H52 I16 N6 Pb5 -","- C28 H104 I32 N12 Pb10 -","2","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.1338","0.1045","","","0.2664","0.2765","","","","2.91","2.91","2.5","","","","has coordinates","221507","2020-10-21","18:00:00",""
"4128387","66.269","0.005","8.948","0.0005","8.8839","0.0006","90","","93.179","0.004","90","","5259.8","0.6","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","Pentylammonium Methylammonium Lead iodide","","","- C13 H46 I13 N5 Pb4 -","- C13 H46 I13 N5 Pb4 -","- C52 H184 I52 N20 Pb16 -","4","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.1339","0.0699","","","0.1812","0.2057","","","","1.79","1.79","1.48","","","","has coordinates","221508","2020-10-21","18:00:00",""
"4128388","68.752","0.008","8.9445","0.0009","8.8984","0.0009","90","","93.77","0.005","90","","5460.2","1","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","Hexylammonium Methylammonium Lead iodide","","","- C15 H50 I13 N5 Pb4 -","- C15 H50 I13 N5 Pb4 -","- C60 H200 I52 N20 Pb16 -","4","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.111","0.0829","","","0.218","0.2263","","","","2.67","2.67","2.32","","","","has coordinates","221509","2020-10-21","18:00:00",""
"4128389","26.9783","0.0002","8.954","0.0002","8.8757","0.0006","90","","95.5426","0.0009","90","","2134.02","0.15","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","Pentylammonium Methylammonium Lead iodide","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C24 H80 I20 N8 Pb6 -","2","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.0571","0.0432","","","0.1222","0.127","","","","2.13","2.13","1.93","","","","has coordinates","221510","2020-10-21","18:00:00",""
"4128390","28.1426","0.0002","8.9413","0.0001","8.9025","0.0005","90","","94.5632","0.001","90","","2233.05","0.13","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","Hexylammonium Methylammonium Lead iodide","","","- C14 H44 I10 N4 Pb3 -","- C14 H44 I10 N4 Pb3 -","- C28 H88 I20 N8 Pb6 -","2","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.0815","0.0519","","","0.1369","0.1496","","","","1.66","1.66","1.47","","","","has coordinates","221511","2020-10-21","18:00:00",""
"4128391","45.3552","0.0008","8.9209","0.0002","8.8062","0.0002","90","","98.2088","0.0008","90","","3526.56","0.13","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","Hexylammonium Methylammonium Lead iodide","","","- C13 H38 I7 N3 Pb2 -","- C13 H38 I7 N3 Pb2 -","- C52 H152 I28 N12 Pb8 -","4","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.0579","0.0443","","","0.1172","0.1242","","","","1.73","1.73","1.63","","","","has coordinates","221512","2020-10-21","18:00:00",""
"4128392","16.181","0.002","16.229","0.002","18.735","0.003","64.77","0.002","76.472","0.002","76.628","0.002","4278.3","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C99.18 H63.18 Cl3.54 F12 N4 -","- C99.181 H63.181 Cl3.543 F12 N4 -","- C198.362 H126.362 Cl7.086 F24 N8 -","2","1","","Suzuki, Wataru; Kotani, Hiroaki; Ishizuka, Tomoya; Kojima, Takahiko","Dioxygen/Hydrogen Peroxide Interconversion Using Redox Couples of Saddle-Distorted Porphyrins and Isophlorins.","Journal of the American Chemical Society","2019","141","14","5987","5994","10.1021/jacs.9b01038","","","0.71073","MoKα","","0.1456","0.0894","","","0.2179","0.2563","","","","","","1.017","","","","has coordinates,has disorder","221513","2020-10-21","18:00:00",""
"4128393","15.1005","0.0014","16.7532","0.0015","18.7562","0.0017","90.18","0.001","109.151","0.001","97.462","0.001","4439.1","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H64 F12 N4 O -","- C98 H64 F12 N4 O -","- C196 H128 F24 N8 O2 -","2","1","","Suzuki, Wataru; Kotani, Hiroaki; Ishizuka, Tomoya; Kojima, Takahiko","Dioxygen/Hydrogen Peroxide Interconversion Using Redox Couples of Saddle-Distorted Porphyrins and Isophlorins.","Journal of the American Chemical Society","2019","141","14","5987","5994","10.1021/jacs.9b01038","","","0.71073","MoKα","","0.0891","0.0634","","","0.168","0.1878","","","","","","1.036","","","","has coordinates,has disorder","221514","2020-10-21","18:00:00",""
"4128394","9.5175","0.0001","10.2604","0.0001","22.887","0.0003","90","","90","","90","","2234.99","0.04","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl N O4 -","- C23 H24 Cl N O4 -","- C92 H96 Cl4 N4 O16 -","4","1","","Lin, Hua-Chen; Xie, Pei-Pei; Dai, Zhen-Yao; Zhang, Shuo-Qing; Wang, Pu-Sheng; Chen, Yu-Gen; Wang, Tian-Ci; Hong, Xin; Gong, Liu-Zhu","Nucleophile-Dependent Z/ E- and Regioselectivity in the Palladium-Catalyzed Asymmetric Allylic C-H Alkylation of 1,4-Dienes.","Journal of the American Chemical Society","2019","141","14","5824","5834","10.1021/jacs.8b13582","","","1.54184","CuKα","","0.0339","0.0327","","","0.0896","0.0911","","","","","","1.035","","","","has coordinates","221515","2020-10-21","18:00:00",""
"4128395","5.4588","0.00013","10.6465","0.0003","21.7635","0.0006","90","","90","","90","","1264.83","0.06","140","0.1","140","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","1.54184","CuKα","","0.0368","0.0331","","","0.0829","0.086","","","","","","1.074","","","","has coordinates","221516","2020-10-21","18:00:00",""
"4128396","7.0976","0.0012","12.673","0.003","8.57","0.0015","90","","112.29","0.02","90","","713.3","0.3","140","0.1","140","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C11 H15 Co I2 O -","- C11 H15 Co I2 O -","- C22 H30 Co2 I4 O2 -","2","0.5","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","1.54184","CuKα","","0.0824","0.0758","","","0.1814","0.1863","","","","","","1.057","","","","has coordinates,has disorder","221517","2020-10-21","18:00:00",""
"4128397","9.1246","0.0002","6.02431","0.00018","23.2712","0.0005","90","","100.952","0.002","90","","1255.91","0.05","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","2","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","1.54184","CuKα","","0.0381","0.0351","","","0.0925","0.0955","","","","","","1.045","","","","has coordinates","221518","2020-10-21","18:00:00",""
"4128398","7.8959","0.00014","18.3744","0.0003","10.6262","0.0002","90","","104.823","0.002","90","","1490.37","0.05","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H29 Co I2 O3 -","- C33 H29 Co I2 O3 -","- C66 H58 Co2 I4 O6 -","2","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","0.71073","MoKα","","0.0459","0.0337","","","0.0616","0.0676","","","","","","1.049","","","","has coordinates","221519","2020-10-21","18:00:00",""
"4128399","7.74793","0.00011","12.5796","0.0002","18.6446","0.0003","90","","99.7262","0.0016","90","","1791.09","0.05","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H37 Co I2 O3 -","- C40 H37 Co I2 O3 -","- C80 H74 Co2 I4 O6 -","2","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","0.71073","MoKα","","0.0407","0.0331","","","0.0659","0.0698","","","","","","1.03","","","","has coordinates,has disorder","221520","2020-10-21","18:00:00",""
"4128400","14.8651","0.0005","7.3449","0.0003","15.0607","0.0006","90","","98.255","0.004","90","","1627.33","0.11","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H23 Co I2 O3 -","- C30 H23 Co I2 O3 -","- C60 H46 Co2 I4 O6 -","2","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","0.71073","MoKα","","0.0415","0.0314","","","0.0557","0.0602","","","","","","0.984","","","","has coordinates","221522","2020-10-21","18:00:00",""
"4128401","10.8622","0.0002","5.17605","0.00011","19.432","0.0004","90","","101.425","0.0019","90","","1070.88","0.04","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","2","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","1.54184","CuKα","","0.0412","0.0372","","","0.0933","0.097","","","","","","1.013","","","","has coordinates","221523","2020-10-21","18:00:00",""
"4128402","9.9249","0.0002","12.0314","0.0003","25.6817","0.0006","90","","90","","90","","3066.66","0.12","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Co I2 O3 -","- C34 H31 Co I2 O3 -","- C136 H124 Co4 I8 O12 -","4","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","0.71073","MoKα","","0.0438","0.0345","","","0.069","0.0733","","","","","","1.06","","","","has coordinates","221524","2020-10-21","18:00:00",""
"4128403","11.7035","0.0005","7.6414","0.0003","10.7527","0.0004","90","","93.565","0.004","90","","959.77","0.07","140","0.1","140","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","0.71073","MoKα","","0.0544","0.0429","","","0.1009","0.1072","","","","","","1.082","","","","has coordinates,has disorder","221525","2020-10-21","18:00:00",""
"4128404","7.5991","0.0015","9.5866","0.0019","20.193","0.004","90","","90","","90","","1471.1","0.5","100","2","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Mn N9 -","- C10 H20 Mn N9 -","- C40 H80 Mn4 N36 -","4","1","","Vaddypally, Shivaiah; Tomlinson, Warren; O'Sullivan, Owen T; Ding, Ran; Van Vliet, Megan M.; Wayland, Bradford B.; Hooper, Joseph P.; Zdilla, Michael J.","Activation of C-H, N-H, and O-H Bonds via Proton-Coupled Electron Transfer to a Mn(III) Complex of Redox-Noninnocent Octaazacyclotetradecadiene, a Catenated-Nitrogen Macrocyclic Ligand.","Journal of the American Chemical Society","2019","141","14","5699","5709","10.1021/jacs.8b10250","","","0.71073","MoKα","","0.0455","0.0418","","","0.1078","0.1099","","","","","","1.088","","","","has coordinates","221526","2020-10-21","18:00:00",""
"4128405","8.3841","0.0011","15.402","0.002","17.081","0.002","73.318","0.003","81.288","0.003","89.959","0.003","2086.4","0.5","100","2","100.04","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H30 Mn N9 Si2 -","- C12 H30 Mn N9 Si2 -","- C48 H120 Mn4 N36 Si8 -","4","2","","Vaddypally, Shivaiah; Tomlinson, Warren; O'Sullivan, Owen T; Ding, Ran; Van Vliet, Megan M.; Wayland, Bradford B.; Hooper, Joseph P.; Zdilla, Michael J.","Activation of C-H, N-H, and O-H Bonds via Proton-Coupled Electron Transfer to a Mn(III) Complex of Redox-Noninnocent Octaazacyclotetradecadiene, a Catenated-Nitrogen Macrocyclic Ligand.","Journal of the American Chemical Society","2019","141","14","5699","5709","10.1021/jacs.8b10250","","","0.71073","MoKα","","0.0767","0.046","","","0.1026","0.1154","","","","","","1.014","","","","has coordinates","255316","2020-10-21","18:00:00",""
"4128406","17.504","0.002","18.005","0.002","17.337","0.002","90","","113.955","0.002","90","","4993.3","1","100","2","99.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H78 Mn2 N26 O2 -","- C38 H78 Mn2 N26 O2 -","- C152 H312 Mn8 N104 O8 -","4","1","","Vaddypally, Shivaiah; Tomlinson, Warren; O'Sullivan, Owen T; Ding, Ran; Van Vliet, Megan M.; Wayland, Bradford B.; Hooper, Joseph P.; Zdilla, Michael J.","Activation of C-H, N-H, and O-H Bonds via Proton-Coupled Electron Transfer to a Mn(III) Complex of Redox-Noninnocent Octaazacyclotetradecadiene, a Catenated-Nitrogen Macrocyclic Ligand.","Journal of the American Chemical Society","2019","141","14","5699","5709","10.1021/jacs.8b10250","","","0.71073","MoKα","","0.0675","0.0454","","","0.1085","0.1173","","","","","","1.05","","","","has coordinates,has disorder","221526","2020-10-21","18:00:00",""
"4128407","8.5118","0.0004","21.5727","0.001","14.8041","0.0007","90","","98.907","0.005","90","","2685.6","0.2","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N6 O5 -","- C30 H30 N6 O5 -","- C120 H120 N24 O20 -","4","1","","Kang, Suk-Il; Lee, Milim; Lee, Dongwhan","Weak Links To Differentiate Weak Bonds: Size-Selective Response of π-Conjugated Macrocycle Gels to Ammonium Ions.","Journal of the American Chemical Society","2019","141","14","5980","5986","10.1021/jacs.9b01002","","x-ray","0.71073","MoKα","","0.0699","0.0487","","","0.1253","0.1391","","","","","","1.0581","","","","has coordinates","221527","2020-10-21","18:00:00",""
"4128408","4.22755","0.00016","26.151","0.0008","18.5287","0.0007","90","","95.85","0.003","90","","2037.77","0.13","100.1","0.8","100.1","0.8","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2^1E,2^8E)-1^5,3^5-dibromo-2^2,2^7-dihydro-4,7,10-trioxa-2(2,7)-benzo[1,2-d:3,4-d']bis([1,2,3]triazole)a-1,3(1,2)-dibenzenacyclodecaphane","","- C22 H16 Br2 N6 O3 -","- C22 H16 Br2 N6 O3 -","- C88 H64 Br8 N24 O12 -","4","1","","Kang, Suk-Il; Lee, Milim; Lee, Dongwhan","Weak Links To Differentiate Weak Bonds: Size-Selective Response of π-Conjugated Macrocycle Gels to Ammonium Ions.","Journal of the American Chemical Society","2019","141","14","5980","5986","10.1021/jacs.9b01002","","x-ray","1.54184","CuKα","","0.0322","0.0297","","","0.0775","0.0797","","","","","","1.049","","","","has coordinates","221528","2020-10-21","18:00:00",""
"4128409","12.297","0.003","7.774","0.0016","20.789","0.004","90","","90.85","0.03","90","","1987.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 F9 N6 O7 -","- C12 H17 F9 N6 O7 -","- C48 H68 F36 N24 O28 -","4","1","","Huang, Rui-Kang; Wang, Sha-Sha; Liu, De-Xuan; Li, Xin; Song, Jian-Ming; Xia, Yuan-Hua; Zhou, Dong-Dong; Huang, Jin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Supercooling Behavior and Dipole-Glass-like Relaxation in a Three-Dimensional Water Framework.","Journal of the American Chemical Society","2019","141","14","5645","5649","10.1021/jacs.9b01866","","","0.6525","Synchrotron","","0.0645","0.0602","","","0.1762","0.1849","","","","","","1.071","","","","has coordinates","221529","2020-10-21","18:00:00",""
"4128410","12.338","0.003","7.906","0.0016","21.055","0.004","90","","90","","90","","2053.8","0.8","293","2","293","2","","","","","","","","5","P c n b","-P 2b 2ac","60","","","","- C12 H17 F9 N6 O7 -","- C12 H17 F9 N6 O7 -","- C48 H68 F36 N24 O28 -","4","0.5","","Huang, Rui-Kang; Wang, Sha-Sha; Liu, De-Xuan; Li, Xin; Song, Jian-Ming; Xia, Yuan-Hua; Zhou, Dong-Dong; Huang, Jin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Supercooling Behavior and Dipole-Glass-like Relaxation in a Three-Dimensional Water Framework.","Journal of the American Chemical Society","2019","141","14","5645","5649","10.1021/jacs.9b01866","","","0.6525","Synchrotron","","0.0525","0.0433","","","0.1178","0.126","","","","","","1.04","","","","has coordinates,has disorder","221530","2020-10-21","18:00:00",""
"4128411","12.283","0.003","7.782","0.0016","20.867","0.004","90","","90","","90","","1994.6","0.7","100","2","100","2","","","","","","","","5","P c n b","-P 2b 2ac","60","","","","- C12 H17 F9 N6 O7 -","- C12 H17 F9 N6 O7 -","- C48 H68 F36 N24 O28 -","4","0.5","","Huang, Rui-Kang; Wang, Sha-Sha; Liu, De-Xuan; Li, Xin; Song, Jian-Ming; Xia, Yuan-Hua; Zhou, Dong-Dong; Huang, Jin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Supercooling Behavior and Dipole-Glass-like Relaxation in a Three-Dimensional Water Framework.","Journal of the American Chemical Society","2019","141","14","5645","5649","10.1021/jacs.9b01866","","","0.6525","synchrotron","","0.0478","0.046","","","0.1362","0.1386","","","","","","1.122","","","","has coordinates,has disorder","221531","2020-10-21","18:00:00",""
"4128412","6.606","0.0001","12.0607","0.0002","31.8122","0.0008","90","","90","","90","","2534.57","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35.5 Br N3 O3.75 -","- C23 H35.5 Br N3 O3.75 -","- C92 H142 Br4 N12 O15 -","4","1","","Combes, Sébastien; Tran, Khoa Truong; Ayhan, Mehmet Menaf; Karoui, Hakim; Rockenbauer, Antal; Tonetto, Alain; Monnier, Valérie; Charles, Laurence; Rosas, Roselyne; Viel, Stéphane; Siri, Didier; Tordo, Paul; Clair, Sylvain; Wang, Ruibing; Bardelang, David; Ouari, Olivier","Triangular Regulation of Cucurbit[8]uril 1:1 Complexes.","Journal of the American Chemical Society","2019","141","14","5897","5907","10.1021/jacs.9b00150","","","0.71073","MoKα","","0.0842","0.0525","","","0.1176","0.1481","","","","","","1.154","","","","has coordinates","221532","2020-10-21","18:00:00",""
"4128413","5.1697","0.0006","7.5135","0.0009","9.1628","0.0011","76.716","0.009","74.826","0.009","84.882","0.009","334.15","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H18 B2 -","- C16 H18 B2 -","- C16 H18 B2 -","1","0.5","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.0534","0.0473","","","0.136","0.1397","","","","","","1.114","","","","has coordinates","221533","2020-10-21","18:00:00",""
"4128414","10.3844","0.0007","8.6036","0.0004","12.5024","0.0008","90","","98.997","0.005","90","","1103.26","0.12","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 B2 -","- C28 H26 B2 -","- C56 H52 B4 -","2","0.5","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.0562","0.0477","","","0.1226","0.1282","","","","","","1.059","","","","has coordinates","221533","2020-10-21","18:00:00",""
"4128415","9.1549","0.0007","9.8159","0.0007","11.6092","0.0009","69.862","0.006","79.949","0.006","81.811","0.006","960.6","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 B2 Li2 O4 -","- C42 H54 B2 Li2 O4 -","- C42 H54 B2 Li2 O4 -","1","0.5","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.0873","0.0604","","","0.141","0.1523","","","","","","0.978","","","","has coordinates,has disorder","221533","2020-10-21","18:00:00",""
"4128416","16.846","0.002","10.2105","0.0008","15.0325","0.0017","90","","106.425","0.009","90","","2480.2","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 B2 Na2 O3 -","- C24 H34 B2 Na2 O3 -","- C96 H136 B8 Na8 O12 -","4","0.5","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.0689","0.0476","","","0.1156","0.1238","","","","","","1.043","","","","has coordinates,has disorder","221533","2020-10-21","18:00:00",""
"4128417","14.6657","0.0007","10.0154","0.0004","21.2355","0.001","90","","102.926","0.004","90","","3040.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 B2 K2 O4 -","- C28 H42 B2 K2 O4 -","- C112 H168 B8 K8 O16 -","4","1","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.073","0.0597","","","0.1597","0.1696","","","","","","1.021","","","","has coordinates,has disorder","221533","2020-10-21","18:00:00",""
"4128418","6.358","0.0009","12.581","0.002","19.691","0.003","90","","90.278","0.012","90","","1575.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 B2 K2 O2 -","- C34 H38 B2 K2 O2 -","- C68 H76 B4 K4 O4 -","2","0.5","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.138","0.0735","","","0.1518","0.175","","","","","","0.971","","","","has coordinates","221533","2020-10-21","18:00:00",""
"4128419","16.013","0.0008","17.3067","0.0006","34.7821","0.0019","90","","101.572","0.004","90","","9443.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H134 B4 Na4 O12 -","- C94 H134 B4 Na4 O12 -","- C376 H536 B16 Na16 O48 -","4","1","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.1432","0.0682","","","0.1531","0.1844","","","","","","0.97","","","","has coordinates,has disorder","221533","2020-10-21","18:00:00",""
"4128420","22.959","0.002","9.4933","0.0008","18.771","0.002","90","","90","","90","","4091.3","0.7","173","2","173","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C36 H60 B2 K2 O12 -","- C36 H60 B2 K2 O12 -","- C144 H240 B8 K8 O48 -","4","0.5","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.1055","0.0422","","","0.0586","0.0699","","","","","","0.872","","","","has coordinates","221533","2020-10-21","18:00:00",""
"4128421","11.1111","0.0003","24.7167","0.0005","16.6417","0.0004","90","","107.866","0.002","90","","4349.91","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 B4 K4 O3 -","- C40 H56 B4 K4 O3 -","- C160 H224 B16 K16 O12 -","4","1","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.0517","0.0441","","","0.1148","0.1196","","","","","","1.059","","","","has coordinates,has disorder","221533","2020-10-21","18:00:00",""
"4128422","11.9532","0.0007","12.655","0.0007","15.273","0.0009","112.47","0.004","90.868","0.005","100.044","0.005","2093.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H112 B4 K4 O14 -","- C84 H112 B4 K4 O14 -","- C84 H112 B4 K4 O14 -","1","0.5","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.0506","0.0367","","","0.0902","0.095","","","","","","1.048","","","","has coordinates","221533","2020-10-21","18:00:00",""
"4128423","13.8997","0.0006","13.1337","0.0005","25.5265","0.0012","90","","104.454","0.004","90","","4512.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H70 B2 Li N O9 -","- C45 H70 B2 Li N O9 -","- C180 H280 B8 Li4 N4 O36 -","4","1","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.0955","0.0637","","","0.158","0.1734","","","","","","1.042","","","","has coordinates,has disorder","221533","2020-10-21","18:00:00",""
"4128424","14.3173","0.0013","12.8231","0.0008","20.9241","0.0018","90","","102.873","0.007","90","","3744.9","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H58 B2 Li2 O9 -","- C36 H58 B2 Li2 O9 -","- C144 H232 B8 Li8 O36 -","4","2","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.1072","0.0678","","","0.1387","0.1541","","","","","","0.95","","","","has coordinates,has disorder","221533","2020-10-21","18:00:00",""
"4128425","8.2267","0.0005","41.4797","0.0019","53.185","0.003","90","","92.465","0.003","90","","18132.1","1.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C198 H198 O6 -","- C198 H198 O6 -","- C792 H792 O24 -","4","1","","Lu, Xuefeng; Gopalakrishna, Tullimilli Y.; Han, Yi; Ni, Yong; Zou, Ya; Wu, Jishan","Bowl-Shaped Carbon Nanobelts Showing Size-Dependent Properties and Selective Encapsulation of C<sub>70</sub>.","Journal of the American Chemical Society","2019","141","14","5934","5941","10.1021/jacs.9b00683","","","1.54178","CuKα","","0.2727","0.2283","","","0.5072","0.5377","","","","","","1.674","","","","has coordinates,has disorder","221534","2020-10-21","18:00:00",""
"4128426","8.3462","0.0005","11.106","0.0007","12.021","0.0006","112.915","0.005","99.596","0.004","105.642","0.005","940.81","0.11","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 Br O4 -","- C21 H27 Br O4 -","- C42 H54 Br2 O8 -","2","1","","Huang, David; Szewczyk, Suzanne M.; Zhang, Pengpeng; Newhouse, Timothy R.","Allyl-Nickel Catalysis Enables Carbonyl Dehydrogenation and Oxidative Cycloalkenylation of Ketones.","Journal of the American Chemical Society","2019","141","14","5669","5674","10.1021/jacs.9b02552","","","0.71073","MoKα","","0.0518","0.0409","","","0.1027","0.1092","","","","","","1.1","","","","has coordinates","221535","2020-10-21","18:00:00",""
"4128427","9.3155","0.0007","8.4154","0.0006","9.8563","0.0007","90","","112.865","0.002","90","","711.96","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H17 N -","- C19 H17 N -","- C38 H34 N2 -","2","1","","Zhang, Wu-Bin; Yang, Xin-Tuo; Ma, Jun-Bao; Su, Zhi-Ming; Shi, Shi-Liang","Regio- and Enantioselective C-H Cyclization of Pyridines with Alkenes Enabled by a Nickel/N-Heterocyclic Carbene Catalysis.","Journal of the American Chemical Society","2019","141","14","5628","5634","10.1021/jacs.9b00931","","","1.54178","CuKα","","0.031","0.0301","","","0.077","0.0779","","","","","","1.026","","","","has coordinates","221536","2020-10-21","18:00:00",""
"4128428","15.775","0.0012","8.5272","0.0006","14.2714","0.0011","90","","100.924","0.001","90","","1885","0.2","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 S3 -","- C23 H20 S3 -","- C92 H80 S12 -","4","1","","Ishiwari, Fumitaka; Nascimbeni, Giulia; Sauter, Eric; Tago, Hiromu; Shoji, Yoshiaki; Fujii, Shintaro; Kiguchi, Manabu; Tada, Tomofumi; Zharnikov, Michael; Zojer, Egbert; Fukushima, Takanori","Triptycene Tripods for the Formation of Highly Uniform and Densely Packed Self-Assembled Monolayers with Controlled Molecular Orientation.","Journal of the American Chemical Society","2019","141","14","5995","6005","10.1021/jacs.9b00950","","","0.71073","MoKα","","0.0336","0.0311","","","0.0798","0.0813","","","","","","1.068","","","","has coordinates","221537","2020-10-21","18:00:00",""
"4128429","10.7286","0.0004","11.7519","0.0004","15.0753","0.0005","95.481","0.002","102.26","0.002","115.318","0.002","1641.19","0.11","100","2","99.97","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H39 Cr O3 -","- C42 H39 Cr O3 -","- C84 H78 Cr2 O6 -","2","1","","Hirscher, Nathanael A.; Perez Sierra, Danny; Agapie, Theodor","Robust Chromium Precursors for Catalysis: Isolation and Structure of a Single-Component Ethylene Tetramerization Precatalyst.","Journal of the American Chemical Society","2019","141","14","6022","6029","10.1021/jacs.9b01387","","","1.54178","CuKα","","0.0685","0.0493","","","0.0983","0.1061","","","","","","1.041","","","","has coordinates","221538","2020-10-21","18:00:00",""
"4128430","11.5802","0.001","15.8845","0.0012","20.0281","0.0017","90","","103.123","0.003","90","","3587.9","0.5","100","2","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H45 Cr O3 -","- C45 H45 Cr O3 -","- C180 H180 Cr4 O12 -","4","1","","Hirscher, Nathanael A.; Perez Sierra, Danny; Agapie, Theodor","Robust Chromium Precursors for Catalysis: Isolation and Structure of a Single-Component Ethylene Tetramerization Precatalyst.","Journal of the American Chemical Society","2019","141","14","6022","6029","10.1021/jacs.9b01387","","","0.71073","MoKα","","0.0594","0.0409","","","0.1106","0.1225","","","","","","1.059","","","","has coordinates","221538","2020-10-21","18:00:00",""
"4128431","12.015","0.0016","12.4851","0.0016","15.1703","0.0019","75.513","0.005","87.541","0.005","80.203","0.005","2171.2","0.5","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 Cr O3 -","- C21 H21 Cr O3 -","- C84 H84 Cr4 O12 -","4","2","","Hirscher, Nathanael A.; Perez Sierra, Danny; Agapie, Theodor","Robust Chromium Precursors for Catalysis: Isolation and Structure of a Single-Component Ethylene Tetramerization Precatalyst.","Journal of the American Chemical Society","2019","141","14","6022","6029","10.1021/jacs.9b01387","","","0.71073","MoKα","","0.0897","0.061","","","0.1147","0.1247","","","","","","1.039","","","","has coordinates","221538","2020-10-21","18:00:00",""
"4128432","20.0935","0.001","11.1921","0.0006","10.9889","0.0005","90","","116.859","0.002","90","","2204.68","0.19","100","2","100.05","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H29 Cr O4.58 -","- C25 H29 Cr O4.583 -","- C100 H116 Cr4 O18.332 -","4","1","","Hirscher, Nathanael A.; Perez Sierra, Danny; Agapie, Theodor","Robust Chromium Precursors for Catalysis: Isolation and Structure of a Single-Component Ethylene Tetramerization Precatalyst.","Journal of the American Chemical Society","2019","141","14","6022","6029","10.1021/jacs.9b01387","","","0.71073","MoKα","","0.0366","0.031","","","0.073","0.075","","","","","","1.028","","","","has coordinates,has disorder","221538","2020-10-21","18:00:00",""
"4128433","8.3974","0.0004","22.6187","0.001","12.1007","0.0005","90","","92.754","0.002","90","","2295.73","0.18","100","2","100.09","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Cr O3 -","- C27 H33 Cr O3 -","- C108 H132 Cr4 O12 -","4","1","","Hirscher, Nathanael A.; Perez Sierra, Danny; Agapie, Theodor","Robust Chromium Precursors for Catalysis: Isolation and Structure of a Single-Component Ethylene Tetramerization Precatalyst.","Journal of the American Chemical Society","2019","141","14","6022","6029","10.1021/jacs.9b01387","","","0.71073","MoKα","","0.0631","0.0444","","","0.0987","0.1056","","","","","","1.065","","","","has coordinates","221538","2020-10-21","18:00:00",""
"4128434","12.9268","0.0007","16.7595","0.001","18.995","0.0009","104.445","0.002","96.51","0.002","107.746","0.002","3714.6","0.4","100","2","100.01","","","","","","","","","9","P -1","-P 1","2","","","","- C77.5 H62 B Cl Cr F24 N O2 P2 -","- C77.5 H62 B Cl Cr F24 N O2 P2 -","- C155 H124 B2 Cl2 Cr2 F48 N2 O4 P4 -","2","1","","Hirscher, Nathanael A.; Perez Sierra, Danny; Agapie, Theodor","Robust Chromium Precursors for Catalysis: Isolation and Structure of a Single-Component Ethylene Tetramerization Precatalyst.","Journal of the American Chemical Society","2019","141","14","6022","6029","10.1021/jacs.9b01387","","","0.71073","MoKα","","0.0808","0.0621","","","0.1413","0.15","","","","","","1.1","","","","has coordinates,has disorder","221538","2020-10-21","18:00:00",""
"4128435","32.1523","0.0012","8.6704","0.0002","32.0714","0.0015","90","","115.022","0.005","90","","8101.5","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H52 B Eu N2 O9 -","- C33 H36 B Eu O7 -","- C264 H288 B8 Eu8 O56 -","8","1","","Ebrahim, Fatmah Mish; Nguyen, Tu N.; Shyshkanov, Serhii; Gładysiak, Andrzej; Favre, Patrick; Zacharia, Anna; Itskos, Grigorios; Dyson, Paul J.; Stylianou, Kyriakos C.","Selective, Fast-Response, and Regenerable Metal-Organic Framework for Sampling Excess Fluoride Levels in Drinking Water.","Journal of the American Chemical Society","2019","141","7","3052","3058","10.1021/jacs.8b11907","","x-ray","0.7142","","","0.134","0.1294","","","0.2641","0.2665","","","","","","1.072","","","","has coordinates","221539","2020-10-21","18:00:00",""
"4128436","9.855","0.003","13.243","0.003","13.89","0.005","90","","101.25","0.02","90","","1777.9","0.9","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H51 N O8 -","- C41 H51 N O8 -","- C82 H102 N2 O16 -","2","1","","Liu, Xin; Liu, Junyang; Wu, Jianlei; Huang, Guocheng; Liang, Rong; Chung, Lung Wa; Li, Chuang-Chuang","Asymmetric Total Synthesis of Cerorubenic Acid-III.","Journal of the American Chemical Society","2019","141","7","2872","2877","10.1021/jacs.8b12647","","x-ray","0.71073","MoKα","","0.0601","0.0567","","","0.1443","0.1471","","","","","","1.086","","","","has coordinates","221540","2020-10-21","18:00:00",""
"4128437","9.8763","0.0017","15.381","0.003","15.448","0.003","90","","90","","90","","2346.7","0.8","115","","115","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 O2 -","- C27 H42 O2 -","- C108 H168 O8 -","4","1","","Liu, Xin; Liu, Junyang; Wu, Jianlei; Huang, Guocheng; Liang, Rong; Chung, Lung Wa; Li, Chuang-Chuang","Asymmetric Total Synthesis of Cerorubenic Acid-III.","Journal of the American Chemical Society","2019","141","7","2872","2877","10.1021/jacs.8b12647","","","0.71073","MoKα","","0.0431","0.039","","","0.0878","0.0897","","","","","","1.087","","","","has coordinates","221541","2020-10-21","18:00:00",""
"4128438","19.503","0.002","19.503","0.002","11.1225","0.0017","90","","90","","120","","3663.8","0.8","100","2","100","","","","","","","","","4","P -6 m 2","P -6 2","187","","","","- C62 H32 Cr3 O16 -","- C62 H32 Cr3 O16 -","- C62 H32 Cr3 O16 -","1","0.0833333","","Chen, Zhijie; Li, Penghao; Zhang, Xuan; Li, Peng; Wasson, Megan C.; Islamoglu, Timur; Stoddart, J. Fraser; Farha, Omar K.","Reticular Access to Highly Porous acs-MOFs with Rigid Trigonal Prismatic Linkers for Water Sorption.","Journal of the American Chemical Society","2019","141","7","2900","2905","10.1021/jacs.8b13710","","","1.54178","CuKα","","0.0628","0.0466","","","0.1152","0.1246","","","","","","0.939","","","","has coordinates","221542","2020-10-21","18:00:00",""
"4128439","13.9834","0.0001","10.838","0.0001","11.6223","0.0001","90","","97.462","0.001","90","","1746.47","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 N2 O3 -","- C17 H31 N2 O3 -","- C68 H124 N8 O12 -","4","1","","Siu, Juno C.; Parry, Joseph B.; Lin, Song","Aminoxyl-Catalyzed Electrochemical Diazidation of Alkenes Mediated by a Metastable Charge-Transfer Complex.","Journal of the American Chemical Society","2019","141","7","2825","2831","10.1021/jacs.8b13192","","x-ray","1.54184","CuKα","","0.0371","0.0346","","","0.091","0.0929","","","","","","1.032","","","","has coordinates","221543","2020-10-21","18:00:00",""
"4128440","6.5749","0.0007","9.8918","0.0009","11.4738","0.0012","66.667","0.002","86.471","0.003","89.021","0.002","683.88","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Au Cl2 N4 -","- C11 H11 Au Cl2 N4 -","- C22 H22 Au2 Cl4 N8 -","2","1","","Li, Weipeng; Yuan, Dandan; Wang, Guoqiang; Zhao, Yue; Xie, Jin; Li, Shuhua; Zhu, Chengjian","Cooperative Au/Ag Dual-Catalyzed Cross-Dehydrogenative Biaryl Coupling: Reaction Development and Mechanistic Insight.","Journal of the American Chemical Society","2019","141","7","3187","3197","10.1021/jacs.8b12929","","","0.71073","MoKα","","0.0862","0.0846","","","0.2274","0.2288","","","","","","1.077","","","","has coordinates,has disorder","221544","2020-10-21","18:00:00",""
"4128441","3.313","0.002","9.985","0.006","13.4","0.008","90","","90","","90","","443.3","0.5","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- B2 Li2 Na2 O5 -","- B2 Li2 Na2 O5 -","- B8 Li8 Na8 O20 -","4","0.25","","Zhang, Min; An, Donghai; Hu, Cong; Chen, Xinglong; Yang, Zhihua; Pan, Shilie","Rational Design via Synergistic Combination Leads to an Outstanding Deep-Ultraviolet Birefringent Li<sub>2</sub>Na<sub>2</sub>B<sub>2</sub>O<sub>5</sub> Material with an Unvalued B<sub>2</sub>O<sub>5</sub> Functional Gene.","Journal of the American Chemical Society","2019","141","7","3258","3264","10.1021/jacs.8b13402","","","0.71073","MoKα","","0.0358","0.0304","","","0.0824","0.0853","","","","","","1.174","","","","has coordinates","221545","2020-10-21","18:00:00",""
"4128442","10.1047","0.0006","14.132","0.0007","14.8352","0.0008","111.146","0.005","93.115","0.005","104.921","0.005","1883.5","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","Ph2-s-PCPL+","","- C47 H25.7 Cl4 F3 O5 S -","- C47 H25.674 Cl4 F3 O5 S -","- C94 H51.348 Cl8 F6 O10 S2 -","2","1","","Wehrmann, Caleb M.; Charlton, Ryan T.; Chen, Mark S.","A Concise Synthetic Strategy for Accessing Ambient Stable Bisphenalenyls toward Achieving Electroactive Open-Shell π-Conjugated Materials.","Journal of the American Chemical Society","2019","141","7","3240","3248","10.1021/jacs.8b13300","","x-ray","0.71073","MoKα","","0.1645","0.0969","","","0.2612","0.3193","","","","","","1.029","","","","has coordinates,has disorder","221546","2020-10-21","18:00:00",""
"4128443","9.0833","0.0006","9.8014","0.0006","11.365","0.0007","106.928","0.005","111.639","0.006","92.186","0.005","887.63","0.11","150","","150","","","","","","","","","3","P -1","-P 1","2","","Ph2-IDPL","","- C46 H26 Cl6 -","- C46 H26 Cl6 -","- C46 H26 Cl6 -","1","0.5","","Wehrmann, Caleb M.; Charlton, Ryan T.; Chen, Mark S.","A Concise Synthetic Strategy for Accessing Ambient Stable Bisphenalenyls toward Achieving Electroactive Open-Shell π-Conjugated Materials.","Journal of the American Chemical Society","2019","141","7","3240","3248","10.1021/jacs.8b13300","","x-ray","0.71073","MoKα","","0.0943","0.0822","","","0.2435","0.2561","","","","","","1.068","","","","has coordinates","221547","2020-10-21","18:00:00",""
"4128444","16.926","0.004","9.04","0.002","15.522","0.004","90","","101.987","0.008","90","","2323.2","1","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 Cu F9 N -","- C8 H5 Cu F9 N -","- C64 H40 Cu8 F72 N8 -","8","1","","Paeth, Matthew; Tyndall, Sam B.; Chen, Liang-Yu; Hong, Jia-Cheng; Carson, William P.; Liu, Xingwu; Sun, Xiaodong; Liu, Jinjia; Yang, Kundi; Hale, Elizabeth M.; Tierney, David L.; Liu, Bin; Cao, Zhi; Cheng, Mu-Jeng; Goddard, 3rd, William A; Liu, Wei","Csp<sup>3</sup>-Csp<sup>3</sup> Bond-Forming Reductive Elimination from Well-Defined Copper(III) Complexes.","Journal of the American Chemical Society","2019","141","7","3153","3159","10.1021/jacs.8b12632","","","0.71073","MoKα","","0.0523","0.0353","","","0.0899","0.0982","","","","","","1.008","","","","has coordinates","221548","2020-10-21","18:00:00",""
"4128445","9.3496","0.0006","12.2827","0.0008","14.2427","0.0009","97.25","0.002","106.305","0.002","94.849","0.002","1544.86","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H41 Cl Cu F9 N2 -","- C25 H41 Cl Cu F9 N2 -","- C50 H82 Cl2 Cu2 F18 N4 -","2","1","","Paeth, Matthew; Tyndall, Sam B.; Chen, Liang-Yu; Hong, Jia-Cheng; Carson, William P.; Liu, Xingwu; Sun, Xiaodong; Liu, Jinjia; Yang, Kundi; Hale, Elizabeth M.; Tierney, David L.; Liu, Bin; Cao, Zhi; Cheng, Mu-Jeng; Goddard, 3rd, William A; Liu, Wei","Csp<sup>3</sup>-Csp<sup>3</sup> Bond-Forming Reductive Elimination from Well-Defined Copper(III) Complexes.","Journal of the American Chemical Society","2019","141","7","3153","3159","10.1021/jacs.8b12632","","","0.71073","MoKα","","0.079","0.0466","","","0.1205","0.1347","","","","","","1.016","","","","has coordinates","221549","2020-10-21","18:00:00",""
"4128446","28.67","0.002","12.0733","0.0008","16.8245","0.0012","90","","104.183","0.004","90","","5646.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H42 Cu F9 N2 -","- C23 H42 Cu F9 N2 -","- C184 H336 Cu8 F72 N16 -","8","1","","Paeth, Matthew; Tyndall, Sam B.; Chen, Liang-Yu; Hong, Jia-Cheng; Carson, William P.; Liu, Xingwu; Sun, Xiaodong; Liu, Jinjia; Yang, Kundi; Hale, Elizabeth M.; Tierney, David L.; Liu, Bin; Cao, Zhi; Cheng, Mu-Jeng; Goddard, 3rd, William A; Liu, Wei","Csp<sup>3</sup>-Csp<sup>3</sup> Bond-Forming Reductive Elimination from Well-Defined Copper(III) Complexes.","Journal of the American Chemical Society","2019","141","7","3153","3159","10.1021/jacs.8b12632","","","0.71073","MoKα","","0.0671","0.0456","","","0.1027","0.1122","","","","","","1.066","","","","has coordinates","221550","2020-10-21","18:00:00",""
"4128447","9.992","0.0004","11.5379","0.0004","13.0599","0.0005","96.997","0.001","92.663","0.001","92.2","0.001","1491.33","0.1","248","2","248","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H43 Cu F9 N -","- C26 H43 Cu F9 N -","- C52 H86 Cu2 F18 N2 -","2","1","","Paeth, Matthew; Tyndall, Sam B.; Chen, Liang-Yu; Hong, Jia-Cheng; Carson, William P.; Liu, Xingwu; Sun, Xiaodong; Liu, Jinjia; Yang, Kundi; Hale, Elizabeth M.; Tierney, David L.; Liu, Bin; Cao, Zhi; Cheng, Mu-Jeng; Goddard, 3rd, William A; Liu, Wei","Csp<sup>3</sup>-Csp<sup>3</sup> Bond-Forming Reductive Elimination from Well-Defined Copper(III) Complexes.","Journal of the American Chemical Society","2019","141","7","3153","3159","10.1021/jacs.8b12632","","","0.71073","MoKα","","0.0891","0.0518","","","0.1173","0.1326","","","","","","1.027","","","","has coordinates","221551","2020-10-21","18:00:00",""
"4128448","8.3692","0.0004","15.4456","0.0007","18.9453","0.001","68.171","0.003","88.703","0.004","77.059","0.003","2210.7","0.2","100","2","100","","","","","","","","","6","P -1","-P 1","2","","ITIC-6F","","- C94 H76 F6 N4 O2 S4 -","- C94 H76 F6 N4 O2 S4 -","- C94 H76 F6 N4 O2 S4 -","1","0.5","","Aldrich, Thomas J.; Matta, Micaela; Zhu, Weigang; Swick, Steven M.; Stern, Charlotte L.; Schatz, George C.; Facchetti, Antonio; Melkonyan, Ferdinand S.; Marks, Tobin J.","Fluorination Effects on Indacenodithienothiophene Acceptor Packing and Electronic Structure, End-Group Redistribution, and Solar Cell Photovoltaic Response.","Journal of the American Chemical Society","2019","141","7","3274","3287","10.1021/jacs.8b13653","","","1.54178","CuKα","","0.1367","0.1234","","","0.3163","0.3243","","","","","","1.062","","","","has coordinates,has disorder","221552","2020-10-21","18:00:00",""
"4128449","15.4222","0.0008","17.6025","0.0011","21.1852","0.0012","73.995","0.004","68.809","0.004","81.206","0.004","5145.3","0.5","100","2","99.98","","","","","","","","","6","P -1","-P 1","2","","ITIC-4F","","- C188 H160 F8 N8 O4 S8 -","- C188 H160 F8 N8 O4 S8 -","- C188 H160 F8 N8 O4 S8 -","1","0.5","","Aldrich, Thomas J.; Matta, Micaela; Zhu, Weigang; Swick, Steven M.; Stern, Charlotte L.; Schatz, George C.; Facchetti, Antonio; Melkonyan, Ferdinand S.; Marks, Tobin J.","Fluorination Effects on Indacenodithienothiophene Acceptor Packing and Electronic Structure, End-Group Redistribution, and Solar Cell Photovoltaic Response.","Journal of the American Chemical Society","2019","141","7","3274","3287","10.1021/jacs.8b13653","","","1.54178","CuKα","","0.1853","0.1504","","","0.4104","0.4355","","","","","","1.61","","","","has coordinates,has disorder","221553","2020-10-21","18:00:00",""
"4128450","15.467","0.0005","17.5307","0.0007","20.7381","0.0008","82.827","0.003","68.565","0.002","80.934","0.002","5154.9","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","ITIC-0F:ITIC-4F cocrystal","","- C189 H162 Br2 F4 N8 O4 S8 -","- C189 H162 Br2 F4 N8 O4 S8 -","- C189 H162 Br2 F4 N8 O4 S8 -","1","0.5","","Aldrich, Thomas J.; Matta, Micaela; Zhu, Weigang; Swick, Steven M.; Stern, Charlotte L.; Schatz, George C.; Facchetti, Antonio; Melkonyan, Ferdinand S.; Marks, Tobin J.","Fluorination Effects on Indacenodithienothiophene Acceptor Packing and Electronic Structure, End-Group Redistribution, and Solar Cell Photovoltaic Response.","Journal of the American Chemical Society","2019","141","7","3274","3287","10.1021/jacs.8b13653","","","1.54178","CuKα","","0.1754","0.1532","","","0.4224","0.4418","","","","","","1.773","","","","has coordinates,has disorder","221554","2020-10-21","18:00:00",""
"4128451","8.42","0.006","23.019","0.017","23.126","0.017","101.78","0.01","95.319","0.01","91.105","0.014","4366","6","100","2","100.02","","","","","","","","","6","P -1","-P 1","2","","ITIC-0F","","- C96 H86 Br4 N4 O2 S4 -","- C96 H86 Br4 N4 O2 S4 -","- C192 H172 Br8 N8 O4 S8 -","2","1","","Aldrich, Thomas J.; Matta, Micaela; Zhu, Weigang; Swick, Steven M.; Stern, Charlotte L.; Schatz, George C.; Facchetti, Antonio; Melkonyan, Ferdinand S.; Marks, Tobin J.","Fluorination Effects on Indacenodithienothiophene Acceptor Packing and Electronic Structure, End-Group Redistribution, and Solar Cell Photovoltaic Response.","Journal of the American Chemical Society","2019","141","7","3274","3287","10.1021/jacs.8b13653","","","0.71073","MoKα","","0.1266","0.096","","","0.2792","0.3063","","","","","","1.041","","","","has coordinates,has disorder","221555","2020-10-21","18:00:00",""
"4128452","15.5206","0.0009","17.8326","0.0016","20.96","0.0019","72.141","0.008","68.454","0.006","80.226","0.007","5125.1","0.8","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","ITIC-2F","","- C94 H80 F2 N4 O2 S4 -","- C94 H80 F2 N4 O2 S4 -","- C188 H160 F4 N8 O4 S8 -","2","1","","Aldrich, Thomas J.; Matta, Micaela; Zhu, Weigang; Swick, Steven M.; Stern, Charlotte L.; Schatz, George C.; Facchetti, Antonio; Melkonyan, Ferdinand S.; Marks, Tobin J.","Fluorination Effects on Indacenodithienothiophene Acceptor Packing and Electronic Structure, End-Group Redistribution, and Solar Cell Photovoltaic Response.","Journal of the American Chemical Society","2019","141","7","3274","3287","10.1021/jacs.8b13653","","","1.54178","CuKα","","0.2814","0.2316","","","0.5059","0.5329","","","","","","1.614","","","","has coordinates,has disorder","221556","2020-10-21","18:00:00",""
"4128453","7.339","0.0007","7.6739","0.0007","11.4931","0.001","105.065","0.002","95.119","0.002","114.634","0.002","553.57","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 B Cl O2 -","- C10 H18 B Cl O2 -","- C20 H36 B2 Cl2 O4 -","2","1","","Landry, Matthew L.; McKenna, Grace M.; Burns, Noah Z.","Enantioselective Synthesis of Azamerone.","Journal of the American Chemical Society","2019","141","7","2867","2871","10.1021/jacs.8b12566","","","0.71073","MoKα","","0.0485","0.0434","","","0.1122","0.1157","","","","","","1.085","","","","has coordinates","221557","2020-10-21","18:00:00",""
"4128454","7.2805","0.0002","11.3131","0.0003","13.8979","0.0004","78.564","0.001","78.616","0.001","85.234","0.001","1098.75","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 Cl3 O4 -","- C21 H29 Cl3 O4 -","- C42 H58 Cl6 O8 -","2","1","","Landry, Matthew L.; McKenna, Grace M.; Burns, Noah Z.","Enantioselective Synthesis of Azamerone.","Journal of the American Chemical Society","2019","141","7","2867","2871","10.1021/jacs.8b12566","","","1.54184","CuKα","","0.0294","0.0277","","","0.0746","0.0756","","","","","","1.083","","","","has coordinates","221558","2020-10-21","18:00:00",""
"4128455","10.912","0.0005","9.4971","0.0005","11.5555","0.0006","90","","99.171","0.002","90","","1182.22","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 Cl3 O4 -","- C23 H31 Cl3 O4 -","- C46 H62 Cl6 O8 -","2","1","","Landry, Matthew L.; McKenna, Grace M.; Burns, Noah Z.","Enantioselective Synthesis of Azamerone.","Journal of the American Chemical Society","2019","141","7","2867","2871","10.1021/jacs.8b12566","","","1.54184","CuKα","","0.0291","0.0289","","","0.0763","0.0764","","","","","","1.037","","","","has coordinates","221559","2020-10-21","18:00:00",""
"4128456","10.1102","0.0013","11.1721","0.0013","11.1221","0.0014","90","","115.225","0.003","90","","1136.5","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Cl O4 -","- C12 H13 Cl O4 -","- C48 H52 Cl4 O16 -","4","1","","Landry, Matthew L.; McKenna, Grace M.; Burns, Noah Z.","Enantioselective Synthesis of Azamerone.","Journal of the American Chemical Society","2019","141","7","2867","2871","10.1021/jacs.8b12566","","","0.71073","MoKα","","0.0613","0.0407","","","0.0949","0.1046","","","","","","1.056","","","","has coordinates","221560","2020-10-21","18:00:00",""
"4128457","7.2288","0.0001","10.311","0.0002","15.9253","0.0003","75.328","0.001","87.251","0.001","72.819","0.001","1096.6","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 Cl3 O4 -","- C21 H29 Cl3 O4 -","- C42 H58 Cl6 O8 -","2","1","","Landry, Matthew L.; McKenna, Grace M.; Burns, Noah Z.","Enantioselective Synthesis of Azamerone.","Journal of the American Chemical Society","2019","141","7","2867","2871","10.1021/jacs.8b12566","","","0.71073","MoKα","","0.0366","0.032","","","0.0835","0.0867","","","","","","1.067","","","","has coordinates","221561","2020-10-21","18:00:00",""
"4128458","10.7112","0.0013","11.688","0.0014","12.6327","0.0015","89.4701","0.0018","89.1293","0.0019","79.0974","0.0019","1552.8","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H35 Cl2 O8 -","- C33 H35 Cl2 O8 -","- C66 H70 Cl4 O16 -","2","1","","Landry, Matthew L.; McKenna, Grace M.; Burns, Noah Z.","Enantioselective Synthesis of Azamerone.","Journal of the American Chemical Society","2019","141","7","2867","2871","10.1021/jacs.8b12566","","","0.71073","MoKα","","0.0515","0.0372","","","0.0892","0.0961","","","","","","1.028","","","","has coordinates","221562","2020-10-21","18:00:00",""
"4128459","6.4263","0.0003","12.1889","0.0006","24.4609","0.0013","90","","90","","90","","1916.01","0.17","100","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N O2 S -","- C25 H19 N O2 S -","- C100 H76 N4 O8 S4 -","4","1","","Bertuzzi, Giulio; Thøgersen, Mathias Kirk; Giardinetti, Maxime; Vidal-Albalat, Andreu; Simon, Adam; Houk, K. N.; Jørgensen, Karl Anker","Catalytic Enantioselective Hetero-[6+4] and -[6+2] Cycloadditions for the Construction of Condensed Polycyclic Pyrroles, Imidazoles, and Pyrazoles.","Journal of the American Chemical Society","2019","141","7","3288","3297","10.1021/jacs.8b13659","","","0.56086","AgKα","","0.0606","0.046","","","0.0895","0.0973","","","","","","1.0516","","","","has coordinates","221563","2020-10-21","18:00:00",""
"4128460","7.5553","0.0002","13.0406","0.0003","14.8215","0.0003","90","","90","","90","","1460.3","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","KH_4_100","maimone68","","- C15 H24 O5 -","- C15 H24 O5 -","- C60 H96 O20 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54178","CuKα","","0.03","0.0293","","","0.0765","0.0774","","","","","","1.042","","","","has coordinates","221564","2020-10-21","18:00:00",""
"4128461","6.7812","0.0003","11.9069","0.0005","16.4542","0.0007","90","","90","","90","","1328.56","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","KH_4_145_2","maimone69","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54178","CuKα","","0.0308","0.0292","","","0.0767","0.0779","","","","","","1.067","","","","has coordinates","221565","2020-10-21","18:00:00",""
"4128462","6.83561","0.00004","15.11333","0.00009","30.94568","0.00018","90","","90","","90","","3196.96","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H47 Cl3 O5 -","- C33 H47 Cl3 O5 -","- C132 H188 Cl12 O20 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54184","CuKα","","0.0488","0.0483","","","0.1394","0.1398","","","","","","1.056","","","","has coordinates","221566","2020-10-21","18:00:00",""
"4128463","6.2584","0.001","7.9523","0.0013","8.4873","0.0013","62.655","0.007","69.084","0.008","82.665","0.008","350.14","0.1","100","2","100","2","","","","","","","","3","P 1","P 1","1","ZY_072_lit","","","- C15 H22 O5 -","- C15 H22 O5 -","- C15 H22 O5 -","1","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","0.71073","MoKα","","0.0364","0.0348","","","0.0878","0.0887","","","","","","1.028","","","","has coordinates","221567","2020-10-21","18:00:00",""
"4128464","7.42853","0.00007","12.26292","0.00011","16.19471","0.00013","90","","90","","90","","1475.26","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O4 S -","- C15 H23 N O4 S -","- C60 H92 N4 O16 S4 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","x-ray","1.54184","CuKα","","0.0264","0.0263","","","0.07","0.07","","","","","","1.02","","","","has coordinates","221568","2020-10-21","18:00:00",""
"4128465","7.37217","0.00006","9.20606","0.00007","10.02549","0.00008","90","","93.8045","0.0007","90","","678.917","0.009","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O5 -","- C15 H24 O5 -","- C30 H48 O10 -","2","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","x-ray","1.54184","CuKα","","0.0261","0.0261","","","0.0685","0.0685","","","","","","1.076","","","","has coordinates","221569","2020-10-21","18:00:00",""
"4128466","6.2397","0.0004","11.9278","0.0007","9.1162","0.0005","90","","103.411","0.003","90","","659.98","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","KH_3_087_1","maimone58","","- C14 H20 O4 -","- C14 H20 O4 -","- C28 H40 O8 -","2","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54178","CuKα","","0.0268","0.0264","","","0.072","0.0724","","","","","","1.065","","","","has coordinates","221570","2020-10-21","18:00:00",""
"4128467","8.0619","0.0008","9.8882","0.001","9.804","0.001","90","","113.579","0.004","90","","716.3","0.13","","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O4 -","- C16 H24 O4 -","- C32 H48 O8 -","2","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","0.71073","MoKα","","0.024","0.0237","","","0.063","0.0633","","","","","","1.1151","","","","has coordinates","221571","2020-10-21","18:00:00",""
"4128468","7.7264","0.0003","11.6672","0.0005","15.5282","0.0006","90","","90","","90","","1399.8","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","KH_2_Cl","maimone46","","- C15 H21 Cl O4 -","- C15 H21 Cl O4 -","- C60 H84 Cl4 O16 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","0.71073","MoKα","","0.0273","0.0256","","","0.0628","0.0639","","","","","","1.064","","","","has coordinates","221572","2020-10-21","18:00:00",""
"4128469","7.0086","0.0006","13.265","0.0014","14.9026","0.0014","90","","90","","90","","1385.5","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","KH_4_256","maimone71","","- C15 H24 O5 -","- C15 H24 O5 -","- C60 H96 O20 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54178","CuKα","","0.0392","0.0358","","","0.0871","0.0903","","","","","","1.064","","","","has coordinates","221573","2020-10-21","18:00:00",""
"4128470","12.8174","0.0005","13.7159","0.0005","16.1653","0.0006","90","","103.093","0.002","90","","2768.02","0.18","100","2","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C120 H176 O32 -","8","4","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54178","CuKα","","0.0566","0.0468","","","0.1092","0.1152","","","","","","1.045","","","","has coordinates","221574","2020-10-21","18:00:00",""
"4128471","11.9151","0.0001","11.956","0.0001","12.2289","0.0001","90","","90","","90","","1742.09","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O8 -","- C18 H20 O8 -","- C72 H80 O32 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54184","CuKα","","0.0291","0.029","","","0.0766","0.0767","","","","","","1.048","","","","has coordinates","221575","2020-10-21","18:00:00",""
"4128472","8.7529","0.0002","6.3723","0.0001","11.9743","0.0002","90","","90.872","0.002","90","","667.8","0.02","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","x-ray","1.54184","CuKα","","0.0335","0.032","","","0.0816","0.0826","","","","","","1.091","","","","has coordinates","221576","2020-10-21","18:00:00",""
"4128473","8.3883","0.0001","11.5548","0.0001","13.553","0.0001","90","","96.319","0.001","90","","1305.65","0.02","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","2","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","x-ray","1.54184","CuKα","","0.0286","0.0285","","","0.0745","0.0745","","","","","","1.055","","","","has coordinates","221577","2020-10-21","18:00:00",""
"4128474","8.0851","0.0009","6.8766","0.0007","10.0457","0.0011","90","","109.579","0.008","90","","526.23","0.1","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H11 Cl2 O P -","- C9 H11 Cl2 O P -","- C18 H22 Cl4 O2 P2 -","2","0.5","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.0361","0.0281","","","0.0675","0.0705","","","","","","1.067","","","","has coordinates,has disorder","221578","2020-10-21","18:00:00",""
"4128475","7.9568","0.0003","7.0412","0.0003","8.3981","0.0003","90","","98.998","0.002","90","","464.72","0.03","100","2","100.01","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C9 H13 O3 P -","- C9 H13 O3 P -","- C18 H26 O6 P2 -","2","0.5","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.0308","0.0282","","","0.0787","0.0804","","","","","","1.045","","","","has coordinates,has disorder","221578","2020-10-21","18:00:00",""
"4128476","8.7802","0.0003","11.2721","0.0004","12.4055","0.0005","114.987","0.002","104.507","0.002","94.529","0.002","1053.23","0.07","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H30 O12 P6 -","- C36 H30 O12 P6 -","- C36 H30 O12 P6 -","1","0.5","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.0601","0.0403","","","0.0967","0.1038","","","","","","1.056","","","","has coordinates","221578","2020-10-21","18:00:00",""
"4128477","12.8407","0.0002","12.7885","0.0002","37.8214","0.0007","90","","90","","90","","6210.78","0.18","100","2","99.98","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C30 H39 O6 P3 -","- C30 H39 O6 P3 -","- C240 H312 O48 P24 -","8","2","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.0642","0.0503","","","0.116","0.1226","","","","","","1.117","","","","has coordinates,has disorder","221578","2020-10-21","18:00:00",""
"4128478","8.4177","0.0006","17.2187","0.0017","9.4319","0.0007","90","","108.594","0.006","90","","1295.72","0.19","100","2","100.02","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 O6 P3 -","- C27 H33 O6 P3 -","- C54 H66 O12 P6 -","2","1","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.0727","0.0464","","","0.0816","0.0902","","","","","","1.007","","","","has coordinates","221578","2020-10-21","18:00:00",""
"4128479","11.054","0.0002","24.398","0.0004","13.4029","0.0002","90","","97.424","0.001","90","","3584.4","0.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H51 O6 P3 -","- C36 H51 O6 P3 -","- C144 H204 O24 P12 -","4","1","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.0515","0.0368","","","0.0881","0.0959","","","","","","1.016","","","","has coordinates","221578","2020-10-21","18:00:00",""
"4128480","11.9962","0.0003","8.0932","0.0002","14.1305","0.0004","90","","112.876","0.002","90","","1263.99","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N2 O2 P -","- C13 H15 N2 O2 P -","- C52 H60 N8 O8 P4 -","4","1","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.053","0.0358","","","0.0877","0.0967","","","","","","1.025","","","","has coordinates","221578","2020-10-21","18:00:00",""
"4128481","7.9289","0.0006","14.1994","0.0013","13.0373","0.001","90","","92.861","0.006","90","","1466","0.2","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N2 O2 P -","- C16 H21 N2 O2 P -","- C64 H84 N8 O8 P4 -","4","1","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","x-ray","0.71073","MoKα","","0.0775","0.0439","","","0.0924","0.1044","","","","","","1.013","","","","has coordinates","221578","2020-10-21","18:00:00",""
"4128482","9.6015","0.0003","22.5281","0.0007","14.3198","0.0004","90","","94.418","0.002","90","","3088.22","0.16","100","2","100.05","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H15 B F15 N2 O2 P -","- C31 H15 B F15 N2 O2 P -","- C124 H60 B4 F60 N8 O8 P4 -","4","1","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.098","0.0722","","","0.155","0.1644","","","","","","1.153","","","","has coordinates","221578","2020-10-21","18:00:00",""
"4128483","10.3889","0.0004","12.1012","0.0003","18.1909","0.0006","101.198","0.002","101.994","0.003","99.504","0.003","2143.51","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H69 Cl N6 Ni Si2 -","- C37 H69 Cl N6 Ni Si2 -","- C74 H138 Cl2 N12 Ni2 Si4 -","2","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0364","0.0324","","","0.0851","0.0884","","","","","","1.028","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128484","30.1187","0.0003","9.9367","0.0001","30.372","0.0003","90","","100.471","0.001","90","","8938.38","0.16","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H69 Cl N5 Ni P Si2 -","- C37 H69 Cl N5 Ni P Si2 -","- C296 H552 Cl8 N40 Ni8 P8 Si16 -","8","2","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0547","0.0386","","","0.0951","0.1057","","","","","","1.021","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128485","30.2685","0.0005","9.9287","0.0002","30.4291","0.0007","90","","101.039","0.002","90","","8975.6","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H69 As Cl N5 Ni Si2 -","- C37 H69 As Cl N5 Ni Si2 -","- C296 H552 As8 Cl8 N40 Ni8 Si16 -","8","2","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.089","0.0517","","","0.1087","0.1298","","","","","","0.998","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128486","18.5126","0.0004","11.665","0.0002","20.9368","0.0004","90","","113.769","0.002","90","","4137.79","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H68 N6 Ni Si2 -","- C37 H68 N6 Ni Si2 -","- C148 H272 N24 Ni4 Si8 -","4","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0456","0.0397","","","0.1049","0.1104","","","","","","1.02","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128487","18.5935","0.0003","18.54","0.0003","24.548","0.0005","90","","90","","90","","8462.3","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H68 N5 Ni P Si2 -","- C37 H68 N5 Ni P Si2 -","- C296 H544 N40 Ni8 P8 Si16 -","8","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0559","0.0381","","","0.0945","0.1053","","","","","","1.015","","","","has coordinates,has disorder","221579","2020-10-21","18:00:00",""
"4128488","12.0277","0.0002","24.3467","0.0004","20.1754","0.0003","90","","93.369","0.001","90","","5897.85","0.16","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C57 H88 B N5 Ni O0.5 P Si2 -","- C57 H88 B N5 Ni O0.5 P Si2 -","- C228 H352 B4 N20 Ni4 O2 P4 Si8 -","4","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0856","0.0611","","","0.1652","0.1891","","","","","","1.048","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128489","13.2496","0.0012","15.6628","0.0013","19.872","0.002","81.759","0.008","74.827","0.009","66.298","0.009","3641.1","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H116 N8 Ni2 P2 Si4 -","- C63 H116 N8 Ni2 P2 Si4 -","- C126 H232 N16 Ni4 P4 Si8 -","2","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0796","0.0625","","","0.1585","0.1677","","","","","","1.084","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128490","16.0818","0.0005","13.6449","0.0005","27.3122","0.0008","90","","90","","90","","5993.2","0.3","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C52 H96 As2 N6 Ni Si4 -","- C52 H96 As2 N6 Ni Si4 -","- C208 H384 As8 N24 Ni4 Si16 -","4","0.5","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.1","0.0715","","","0.1853","0.2146","","","","","","1.051","","","","has coordinates,has disorder","221579","2020-10-21","18:00:00",""
"4128491","12.4971","0.0004","13.6791","0.0004","18.6705","0.0006","75.272","0.003","76.225","0.003","80.498","0.003","2979.43","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H98 As N7 Ni2 O Si2 -","- C52 H98 As N7 Ni2 O Si2 -","- C104 H196 As2 N14 Ni4 O2 Si4 -","2","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0403","0.031","","","0.0757","0.0817","","","","","","1.017","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128492","15.7427","0.0004","18.018","0.0006","20.4069","0.0006","91.496","0.003","102.225","0.002","103.698","0.003","5478.5","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H90 As Li N7 Ni Si2 -","- C46 H90 As Li N7 Ni Si2 -","- C184 H360 As4 Li4 N28 Ni4 Si8 -","4","2","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0648","0.0434","","","0.1056","0.1194","","","","","","1.013","","","","has coordinates,has disorder","221579","2020-10-21","18:00:00",""
"4128493","10.3572","0.0002","21.8676","0.0003","15.3918","0.0002","90","","93.764","0.001","90","","3478.52","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 B Li N -","- C21 H20 B Li N -","- C168 H160 B8 Li8 N8 -","8","2","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0588","0.0511","","","0.1368","0.1452","","","","","","1.044","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128494","8.612","0.0001","8.612","0.0001","14.7393","0.0002","90","","90","","90","","1093.16","0.02","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C6 H18 As Li N2 -","- C6 H18 As Li N2 -","- C24 H72 As4 Li4 N8 -","4","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0382","0.0374","","","0.0961","0.0991","","","","","","1.079","","","","has coordinates,has disorder","221579","2020-10-21","18:00:00",""
"4128495","14.551","0.0002","16.6693","0.0002","26.9463","0.0003","90","","101.511","0.001","90","","6404.5","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H110 N8 Ni Si4 -","- C58 H110 N8 Ni Si4 -","- C232 H440 N32 Ni4 Si16 -","4","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.055","0.0469","","","0.1211","0.1281","","","","","","1.036","","","","has coordinates,has disorder","221579","2020-10-21","18:00:00",""
"4128496","12.463","0.007","15.073","0.008","32.221","0.017","90","","90","","90","","6053","6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H53 N O8 P2 Ru -","- C23 H53 N O8 P2 Ru -","- C184 H424 N8 O64 P16 Ru8 -","8","1","","Kar, Sayan; Sen, Raktim; Kothandaraman, Jotheeswari; Goeppert, Alain; Chowdhury, Ryan; Munoz, Socrates B.; Haiges, Ralf; Prakash, G. K. Surya","Mechanistic Insights into Ruthenium-Pincer-Catalyzed Amine-Assisted Homogeneous Hydrogenation of CO<sub>2</sub> to Methanol.","Journal of the American Chemical Society","2019","141","7","3160","3170","10.1021/jacs.8b12763","","","0.71073","MoKα","","0.1084","0.0621","","","0.1214","0.1368","","","","","","1.019","","","","has coordinates","221580","2020-10-21","18:00:00",""
"4128497","8.6522","0.0017","12.368","0.002","16.043","0.003","76.1","0.003","83.249","0.003","79.846","0.003","1635.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Sayan052518","","","- C31 H31 N O5 P2 Ru -","- C31 H31 N O5 P2 Ru -","- C62 H62 N2 O10 P4 Ru2 -","2","1","","Kar, Sayan; Sen, Raktim; Kothandaraman, Jotheeswari; Goeppert, Alain; Chowdhury, Ryan; Munoz, Socrates B.; Haiges, Ralf; Prakash, G. K. Surya","Mechanistic Insights into Ruthenium-Pincer-Catalyzed Amine-Assisted Homogeneous Hydrogenation of CO<sub>2</sub> to Methanol.","Journal of the American Chemical Society","2019","141","7","3160","3170","10.1021/jacs.8b12763","","","0.71073","MoKα","","0.055","0.0488","","","0.1483","0.1542","","","","","","1.091","","","","has coordinates,has disorder","221581","2020-10-21","18:00:00",""
"4128498","22.4623","0.0012","11.2375","0.0006","11.9368","0.0007","90","","90","","90","","3013.1","0.3","100","1","100","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C144 H152 N8 O24 -","8","1","","Wu, Ju; Dou, Yingchao; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical Dearomative 2,3-Difunctionalization of Indoles.","Journal of the American Chemical Society","2019","141","7","2832","2837","10.1021/jacs.8b13371","","x-ray","0.71073","MoKα","","0.0624","0.0421","","","0.1053","0.1127","","","","","","1.04","","","","has coordinates","221582","2020-10-21","18:00:00",""
"4128499","10.1411","0.001","11.0449","0.0012","22.463","0.002","97.093","0.004","96.892","0.004","116.882","0.003","2182.6","0.4","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 N2 O5 S -","- C23 H28 N2 O5 S -","- C92 H112 N8 O20 S4 -","4","2","","Wu, Ju; Dou, Yingchao; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical Dearomative 2,3-Difunctionalization of Indoles.","Journal of the American Chemical Society","2019","141","7","2832","2837","10.1021/jacs.8b13371","","x-ray","0.71073","MoKα","","0.0573","0.038","","","0.09","0.0959","","","","","","1.036","","","","has coordinates","221583","2020-10-21","18:00:00",""
"4128500","15.1003","0.001","8.7723","0.0006","8.7236","0.0005","90","","90","","90","","1155.57","0.13","100","1","100","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Wu, Ju; Dou, Yingchao; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical Dearomative 2,3-Difunctionalization of Indoles.","Journal of the American Chemical Society","2019","141","7","2832","2837","10.1021/jacs.8b13371","","","0.71073","MoKα","","0.0742","0.0515","","","0.1279","0.1369","","","","","","1.051","","","","has coordinates","221585","2020-10-21","18:00:00",""
"4128501","15.6062","0.0016","9.7091","0.001","17.6166","0.0016","90","","105.033","0.003","90","","2578","0.4","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cl2 N7 O -","- C28 H25 Cl2 N7 O -","- C112 H100 Cl8 N28 O4 -","4","1","","Wu, Ju; Dou, Yingchao; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical Dearomative 2,3-Difunctionalization of Indoles.","Journal of the American Chemical Society","2019","141","7","2832","2837","10.1021/jacs.8b13371","","","0.71073","MoKα","","0.1474","0.0627","","","0.099","0.1185","","","","","","1.039","","","","has coordinates","221586","2020-10-21","18:00:00",""
"4128502","8.4325","0.0007","13.319","0.0011","16.3809","0.0013","90","","99.593","0.003","90","","1814.1","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Br N O3 S -","- C20 H20 Br N O3 S -","- C80 H80 Br4 N4 O12 S4 -","4","1","","Wu, Ju; Dou, Yingchao; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical Dearomative 2,3-Difunctionalization of Indoles.","Journal of the American Chemical Society","2019","141","7","2832","2837","10.1021/jacs.8b13371","","x-ray","0.71073","MoKα","","0.0584","0.0412","","","0.0866","0.0929","","","","","","1.028","","","","has coordinates","221587","2020-10-21","18:00:00",""
"4128503","7.8984","0.0007","10.0654","0.0008","11.7138","0.001","78.839","0.002","74.149","0.002","83.65","0.003","877.25","0.13","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 N3 O2 S -","- C19 H23 N3 O2 S -","- C38 H46 N6 O4 S2 -","2","1","","Wu, Ju; Dou, Yingchao; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical Dearomative 2,3-Difunctionalization of Indoles.","Journal of the American Chemical Society","2019","141","7","2832","2837","10.1021/jacs.8b13371","","","0.71073","MoKα","","0.0367","0.0306","","","0.0848","0.088","","","","","","1.018","","","","has coordinates","221588","2020-10-21","18:00:00",""
"4128504","8.4671","0.0002","11.6731","0.0003","16.0818","0.0004","90","","100.441","0.002","90","","1563.16","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 F N -","- C19 H22 F N -","- C76 H88 F4 N4 -","4","2","","Pupo, Gabriele; Vicini, Anna Chiara; Ascough, David M. H.; Ibba, Francesco; Christensen, Kirsten E.; Thompson, Amber L.; Brown, John M.; Paton, Robert S.; Gouverneur, Véronique","Hydrogen Bonding Phase-Transfer Catalysis with Potassium Fluoride: Enantioselective Synthesis of β-Fluoroamines.","Journal of the American Chemical Society","2019","141","7","2878","2883","10.1021/jacs.8b12568","","","1.54184","CuKα","","0.0386","0.0344","","0.0853","0.0803","0.0853","","","","","","0.9985","","","","has coordinates","221589","2020-10-21","18:00:00",""
"4128505","13.4967","0.0007","18.0291","0.0007","15.8187","0.0006","90","","107.072","0.005","90","","3679.6","0.3","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 Cl F N O2 -","- C19 H27 Cl F N O2 -","- C152 H216 Cl8 F8 N8 O16 -","8","4","","Pupo, Gabriele; Vicini, Anna Chiara; Ascough, David M. H.; Ibba, Francesco; Christensen, Kirsten E.; Thompson, Amber L.; Brown, John M.; Paton, Robert S.; Gouverneur, Véronique","Hydrogen Bonding Phase-Transfer Catalysis with Potassium Fluoride: Enantioselective Synthesis of β-Fluoroamines.","Journal of the American Chemical Society","2019","141","7","2878","2883","10.1021/jacs.8b12568","","","1.54184","CuKα","","0.0891","0.0713","","0.2031","0.1709","0.2031","","","","","","1.0105","","","","has coordinates,has disorder","221589","2020-10-21","18:00:00",""
"4128506","8.8499","0.0006","17.9444","0.0008","12.0116","0.0007","90","","99.75","0.007","90","","1879.96","0.19","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 Cl F N O2 -","- C19 H27 Cl F N O2 -","- C76 H108 Cl4 F4 N4 O8 -","4","2","","Pupo, Gabriele; Vicini, Anna Chiara; Ascough, David M. H.; Ibba, Francesco; Christensen, Kirsten E.; Thompson, Amber L.; Brown, John M.; Paton, Robert S.; Gouverneur, Véronique","Hydrogen Bonding Phase-Transfer Catalysis with Potassium Fluoride: Enantioselective Synthesis of β-Fluoroamines.","Journal of the American Chemical Society","2019","141","7","2878","2883","10.1021/jacs.8b12568","","","0.71073","MoKα","","0.1485","0.0667","","0.2098","0.1461","0.158","","","","","","1.0004","","","","has coordinates,has disorder","221589","2020-10-21","18:00:00",""
"4128507","13.4572","0.001","17.9878","0.0008","15.8501","0.0009","90","","107.078","0.007","90","","3667.6","0.4","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 Cl F N O2 -","- C19 H27 Cl F N O2 -","- C152 H216 Cl8 F8 N8 O16 -","8","4","","Pupo, Gabriele; Vicini, Anna Chiara; Ascough, David M. H.; Ibba, Francesco; Christensen, Kirsten E.; Thompson, Amber L.; Brown, John M.; Paton, Robert S.; Gouverneur, Véronique","Hydrogen Bonding Phase-Transfer Catalysis with Potassium Fluoride: Enantioselective Synthesis of β-Fluoroamines.","Journal of the American Chemical Society","2019","141","7","2878","2883","10.1021/jacs.8b12568","","","0.71073","MoKα","","0.1438","0.0896","","0.2302","0.1814","0.2302","","","","","","1.0244","","","","has coordinates,has disorder","221589","2020-10-21","18:00:00",""
"4128508","12.538","0.003","18.879","0.004","19.6252","0.0019","91.044","0.001","105.987","0.003","106.771","0.002","4251.6","1.4","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H25 Cl4 N9 O9 -","- C44 H25 Cl4 N9 O9 -","- C176 H100 Cl16 N36 O36 -","4","2","","Ma, Jian-Xin; Li, Jian; Chen, Yi-Fan; Ning, Rui; Ao, Yu-Fei; Liu, Jun-Min; Sun, Junliang; Wang, De-Xian; Wang, Qi-Qiang","Cage Based Crystalline Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","9","3843","3848","10.1021/jacs.9b00665","","","0.710747","MoKα","","0.1198","0.1015","","","0.2168","0.2294","","","","","","1.144","","","","has coordinates","221590","2020-10-21","18:00:00",""
"4128509","13.9724","0.0007","29.8124","0.0009","16.4699","0.0009","90","","108.05","0.006","90","","6522.9","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C78 H62 N12 O7 -","- C78 H62 N12 O7 -","- C312 H248 N48 O28 -","4","1","","Ma, Jian-Xin; Li, Jian; Chen, Yi-Fan; Ning, Rui; Ao, Yu-Fei; Liu, Jun-Min; Sun, Junliang; Wang, De-Xian; Wang, Qi-Qiang","Cage Based Crystalline Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","9","3843","3848","10.1021/jacs.9b00665","","","0.71073","MoKα","","0.1556","0.0823","","","0.1988","0.2385","","","","","","1.007","","","","has coordinates,has disorder","221591","2020-10-21","18:00:00",""
"4128510","18.4511","0.0008","7.8907","0.0002","13.3139","0.0004","90","","108.175","0.004","90","","1841.69","0.12","294.8","0.3","294.8","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C88 H104 O8 -","- C88 H104 O8 -","- C88 H104 O8 -","1","0.25","","Thiyagarajan, Subramanian; Gunanathan, Chidambaram","Catalytic Cross-Coupling of Secondary Alcohols.","Journal of the American Chemical Society","2019","141","9","3822","3827","10.1021/jacs.9b00025","","x-ray","1.54184","CuKα","","0.1686","0.1433","","","0.3234","0.3537","","","","","","1.439","","","","has coordinates","221592","2020-10-21","18:00:00",""
"4128511","29.62","0.004","29.62","0.004","29.14","0.004","90","","90","","90","","25566","6","100","2","100","2","","","","","","","","4","P 4/m","-P 4","83","","","","- C304 N12 O108 Rh24 -","- C304 N12 O108 Rh24 -","- C608 N24 O216 Rh48 -","2","0.25","","Carné-Sánchez, Arnau; Albalad, Jorge; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Larpent, Patrick; Furukawa, Shuhei; Maspoch, Daniel","Postsynthetic Covalent and Coordination Functionalization of Rhodium(II)-Based Metal-Organic Polyhedra.","Journal of the American Chemical Society","2019","141","9","4094","4102","10.1021/jacs.8b13593","","","0.70192","synchrotron","","0.153","0.1207","","","0.3559","0.3779","","","","","","1.406","","","","has coordinates","221593","2020-10-21","18:00:00",""
"4128512","31.08","0.005","31.08","0.005","31.25","0.005","90","","90","","90","","30186","8","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C272 H252 N20 O152 Rh24 -","- C272 H252 N20 O152 Rh24 -","- C544 H504 N40 O304 Rh48 -","2","0.125","","Carné-Sánchez, Arnau; Albalad, Jorge; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Larpent, Patrick; Furukawa, Shuhei; Maspoch, Daniel","Postsynthetic Covalent and Coordination Functionalization of Rhodium(II)-Based Metal-Organic Polyhedra.","Journal of the American Chemical Society","2019","141","9","4094","4102","10.1021/jacs.8b13593","","","0.70192","synchrotron","","0.0934","0.0901","","","0.2606","0.2704","","","","","","1.247","","","","has coordinates","221594","2020-10-21","18:00:00",""
"4128513","27.48","0.004","27.48","0.004","27.48","0.004","90","","90","","90","","20752","5","100","2","100","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C192 H96 O121 Rh24 -","- C192 H96 O121 Rh24 -","- C384 H192 O242 Rh48 -","2","0.0208333","","Carné-Sánchez, Arnau; Albalad, Jorge; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Larpent, Patrick; Furukawa, Shuhei; Maspoch, Daniel","Postsynthetic Covalent and Coordination Functionalization of Rhodium(II)-Based Metal-Organic Polyhedra.","Journal of the American Chemical Society","2019","141","9","4094","4102","10.1021/jacs.8b13593","","","0.82656","synchrotron","","0.101","0.0989","","","0.3209","0.3305","","","","","","1.7","","","","has coordinates","221595","2020-10-21","18:00:00",""
"4128514","31.272","0.004","31.272","0.004","31.272","0.004","90","","90","","90","","30582","7","293","2","293","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C60 H60 Cu17 N60 O12 -","- C60 H60 Cu17 N60 O12 -","- C480 H480 Cu136 N480 O96 -","8","0.0833333","","Li, Jia; Jiang, Lianyan; Chen, Sheng; Kirchon, Angelo; Li, Bao; Li, Yanshuo; Zhou, Hong-Cai","Metal-Organic Framework Containing Planar Metal-Binding Sites: Efficiently and Cost-Effectively Enhancing the Kinetic Separation of C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub>.","Journal of the American Chemical Society","2019","141","9","3807","3811","10.1021/jacs.8b13463","","","0.71073","MoKα","","0.0735","0.0622","","","0.183","0.1953","","","","","","1.183","","","","has coordinates","221596","2020-10-21","18:00:00",""
"4128515","5.41264","0.00014","5.942","0.00014","26.9046","0.0006","90","","90","","90","","865.3","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O -","- C11 H11 N O -","- C44 H44 N4 O4 -","4","1","","Xing, Qi; Chan, Chun-Ming; Yeung, Yiu-Wai; Yu, Wing-Yiu","Ruthenium(II)-Catalyzed Enantioselective γ-Lactams Formation by Intramolecular C-H Amidation of 1,4,2-Dioxazol-5-ones.","Journal of the American Chemical Society","2019","141","9","3849","3853","10.1021/jacs.9b00535","","x-ray","1.54184","CuKα","","0.036","0.0358","","","0.0928","0.093","","","","","","1.068","","","","has coordinates","221597","2020-10-21","18:00:00",""
"4128516","8.3615","0.0002","19.6695","0.0005","21.2939","0.0005","90","","90","","90","","3502.13","0.15","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C160 H240 O24 -","8","2","","Dong, Liao-Bin; Zhang, Xiao; Rudolf, Jeffrey D.; Deng, Ming-Rong; Kalkreuter, Edward; Cepeda, Alexis J.; Renata, Hans; Shen, Ben","Cryptic and Stereospecific Hydroxylation, Oxidation, and Reduction in Platensimycin and Platencin Biosynthesis.","Journal of the American Chemical Society","2019","141","9","4043","4050","10.1021/jacs.8b13452","","","0.71073","MoKα","","0.0449","0.0391","","","0.1001","0.1054","","","","","","1.051","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4128517","11.2006","0.0001","11.2006","0.0001","25.1011","0.0004","90","","90","","120","","2727.13","0.06","296","2","296.15","","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C120 H180 O24 -","6","1","","Dong, Liao-Bin; Zhang, Xiao; Rudolf, Jeffrey D.; Deng, Ming-Rong; Kalkreuter, Edward; Cepeda, Alexis J.; Renata, Hans; Shen, Ben","Cryptic and Stereospecific Hydroxylation, Oxidation, and Reduction in Platensimycin and Platencin Biosynthesis.","Journal of the American Chemical Society","2019","141","9","4043","4050","10.1021/jacs.8b13452","","","0.71073","MoKα","","0.05","0.0413","","","0.1221","0.133","","","","","","1.0239","","","","has coordinates","221599","2020-10-21","18:00:00",""
"4128518","7.2283","0.0002","11.3241","0.0003","10.6872","0.0003","90","","92.941","0.001","90","","873.64","0.04","296","2","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","1","","Dong, Liao-Bin; Zhang, Xiao; Rudolf, Jeffrey D.; Deng, Ming-Rong; Kalkreuter, Edward; Cepeda, Alexis J.; Renata, Hans; Shen, Ben","Cryptic and Stereospecific Hydroxylation, Oxidation, and Reduction in Platensimycin and Platencin Biosynthesis.","Journal of the American Chemical Society","2019","141","9","4043","4050","10.1021/jacs.8b13452","","","0.71073","MoKα","","0.0436","0.039","","","0.1074","0.1123","","","","","","1.1397","","","","has coordinates","221600","2020-10-21","18:00:00",""
"4128519","45.589","0.005","28.5973","0.0009","54.689","0.004","90","","121.371","0.013","90","","60876","12","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C262 H220 B9 Cl F36 N31 Ni5 -","- C262 H220 B9 Cl F36 N31 Ni5 -","- C2096 H1760 B72 Cl8 F288 N248 Ni40 -","8","1","","Zhang, Liang; Stephens, Alexander J.; Lemonnier, Jean-François; Pirvu, Lucian; Vitorica-Yrezabal, Iñigo J; Robinson, Christopher J.; Leigh, David A.","Coordination Chemistry of a Molecular Pentafoil Knot.","Journal of the American Chemical Society","2019","141","9","3952","3958","10.1021/jacs.8b12548","","x-ray","0.6889","","","0.2019","0.1512","","","0.4219","0.4739","","","","","","1.682","","","","has coordinates,has disorder","221601","2020-10-21","18:00:00",""
"4128520","46.5552","0.0019","25.4416","0.001","54.939","0.003","90","","108.29","0.005","90","","61784","5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C260 H220 B9 Cl F36 N30 Zn5 -","- C260 H120 B7 Cl F28 N30 Zn5 -","- C2080 H960 B56 Cl8 F224 N240 Zn40 -","8","2","","Zhang, Liang; Stephens, Alexander J.; Lemonnier, Jean-François; Pirvu, Lucian; Vitorica-Yrezabal, Iñigo J; Robinson, Christopher J.; Leigh, David A.","Coordination Chemistry of a Molecular Pentafoil Knot.","Journal of the American Chemical Society","2019","141","9","3952","3958","10.1021/jacs.8b12548","","x-ray","0.6889","","","0.2457","0.2063","","","0.523","0.5535","","","","","","2.237","","","","has coordinates,has disorder","221602","2020-10-21","18:00:00",""
"4128521","22.1116","0.0017","28.081","0.002","28.5729","0.0017","61.443","0.007","87.521","0.006","67.458","0.007","14176","2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C275 H237 B9 Cl Co5 F36 N34 -","- C275 H237 B9 Cl Co5 F36 N34 -","- C550 H474 B18 Cl2 Co10 F72 N68 -","2","1","","Zhang, Liang; Stephens, Alexander J.; Lemonnier, Jean-François; Pirvu, Lucian; Vitorica-Yrezabal, Iñigo J; Robinson, Christopher J.; Leigh, David A.","Coordination Chemistry of a Molecular Pentafoil Knot.","Journal of the American Chemical Society","2019","141","9","3952","3958","10.1021/jacs.8b12548","","x-ray","0.6889","","","0.182","0.1195","","","0.3161","0.3584","","","","","","1.133","","","","has coordinates,has disorder","221603","2020-10-21","18:00:00",""
"4128522","13.857","0.003","10.761","0.003","27.29","0.006","90","","98.089","0.008","90","","4028.9","1.7","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H52 Au Cl F3 N P -","- C43 H52 Au Cl F3 N P -","- C172 H208 Au4 Cl4 F12 N4 P4 -","4","2","","Cheng, Xinpeng; Wang, Zhixun; Quintanilla, Carlos D.; Zhang, Liming","Chiral Bifunctional Phosphine Ligand Enabling Gold-Catalyzed Asymmetric Isomerization of Alkyne to Allene and Asymmetric Synthesis of 2,5-Dihydrofuran.","Journal of the American Chemical Society","2019","141","9","3787","3791","10.1021/jacs.8b12833","","","0.71073","MoKα","","0.0718","0.0542","","","0.0861","0.0913","","","","","","1.054","","","","has coordinates","221604","2020-10-21","18:00:00",""
"4128523","12.81","0.009","10.578","0.006","14.298","0.01","90","","99.99","0.02","90","","1908","2","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H55 Au Cl F3 N P -","- C43 H55 Au Cl F3 N P -","- C86 H110 Au2 Cl2 F6 N2 P2 -","2","1","","Cheng, Xinpeng; Wang, Zhixun; Quintanilla, Carlos D.; Zhang, Liming","Chiral Bifunctional Phosphine Ligand Enabling Gold-Catalyzed Asymmetric Isomerization of Alkyne to Allene and Asymmetric Synthesis of 2,5-Dihydrofuran.","Journal of the American Chemical Society","2019","141","9","3787","3791","10.1021/jacs.8b12833","","","0.71073","MoKα","","0.1175","0.0667","","","0.1249","0.1506","","","","","","1.038","","","","has coordinates","221605","2020-10-21","18:00:00",""
"4128524","8.0135","0.0002","8.0135","0.0002","13.1776","0.0003","90","","90","","120","","732.84","0.03","301","2","301","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Cs2 F16 Mn U3 -","- Cs2 F16 Mn U3 -","- Cs4 F32 Mn2 U6 -","2","0.0833333","","Klepov, Vladislav V.; Pace, Kristen A.; Calder, Stuart; Felder, Justin B.; Loye, Hans-Conrad Zur","3d-Metal Induced Magnetic Ordering on U(IV) Atoms as a Route toward U(IV) Magnetic Materials.","Journal of the American Chemical Society","2019","141","9","3838","3842","10.1021/jacs.9b00345","","","0.71073","MoKα","","0.012","0.012","","","0.0277","0.0277","","","","","","1.022","","","","has coordinates","221606","2020-10-21","18:00:00",""
"4128525","7.9849","0.0002","7.9849","0.0002","12.9721","0.0003","90","","90","","120","","716.28","0.03","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Cs2 F16 U3 Zn -","- Cs2 F16 U3 Zn -","- Cs4 F32 U6 Zn2 -","2","0.0833333","","Klepov, Vladislav V.; Pace, Kristen A.; Calder, Stuart; Felder, Justin B.; Loye, Hans-Conrad Zur","3d-Metal Induced Magnetic Ordering on U(IV) Atoms as a Route toward U(IV) Magnetic Materials.","Journal of the American Chemical Society","2019","141","9","3838","3842","10.1021/jacs.9b00345","","","0.71073","MoKα","","0.0112","0.0112","","","0.0251","0.0251","","","","","","1.005","","","","has coordinates","221607","2020-10-21","18:00:00",""
"4128526","7.9778","0.0005","7.9778","0.0005","12.9039","0.001","90","","90","","120","","711.24","0.08","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Cs2 F16 Ni U3 -","- Cs2 F16 Ni U3 -","- Cs4 F32 Ni2 U6 -","2","0.0833333","","Klepov, Vladislav V.; Pace, Kristen A.; Calder, Stuart; Felder, Justin B.; Loye, Hans-Conrad Zur","3d-Metal Induced Magnetic Ordering on U(IV) Atoms as a Route toward U(IV) Magnetic Materials.","Journal of the American Chemical Society","2019","141","9","3838","3842","10.1021/jacs.9b00345","","","0.71073","MoKα","","0.0145","0.0145","","","0.0322","0.0322","","","","","","1.04","","","","has coordinates","221608","2020-10-21","18:00:00",""
"4128527","7.9891","0.0001","7.9891","0.0001","13.006","0.0002","90","","90","","120","","718.903","0.017","301","2","301","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Co Cs2 F16 U3 -","- Co Cs2 F16 U3 -","- Co2 Cs4 F32 U6 -","2","0.0833333","","Klepov, Vladislav V.; Pace, Kristen A.; Calder, Stuart; Felder, Justin B.; Loye, Hans-Conrad Zur","3d-Metal Induced Magnetic Ordering on U(IV) Atoms as a Route toward U(IV) Magnetic Materials.","Journal of the American Chemical Society","2019","141","9","3838","3842","10.1021/jacs.9b00345","","","0.71073","MoKα","","0.0116","0.0116","","","0.0261","0.0261","","","","","","1.073","","","","has coordinates","221609","2020-10-21","18:00:00",""
"4128528","7.9753","0.0002","7.9753","0.0002","12.8826","0.0003","90","","90","","120","","709.62","0.03","301","2","301","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Cs2 F16 Mg U3 -","- Cs2 F16 Mg U3 -","- Cs4 F32 Mg2 U6 -","2","0.0833333","","Klepov, Vladislav V.; Pace, Kristen A.; Calder, Stuart; Felder, Justin B.; Loye, Hans-Conrad Zur","3d-Metal Induced Magnetic Ordering on U(IV) Atoms as a Route toward U(IV) Magnetic Materials.","Journal of the American Chemical Society","2019","141","9","3838","3842","10.1021/jacs.9b00345","","","0.71073","MoKα","","0.0091","0.0091","","","0.0209","0.0209","","","","","","1","","","","has coordinates","221610","2020-10-21","18:00:00",""
"4128529","10.0758","0.0004","15.6498","0.0006","16.5383","0.0006","75.2367","0.0014","87.6486","0.0014","87.6424","0.0015","2518.34","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 F3 Ir N -","- C30 H27 F3 Ir N -","- C120 H108 F12 Ir4 N4 -","4","2","","Kim, Jinwoo; Shin, Kwangmin; Jin, Seongho; Kim, Dongwook; Chang, Sukbok","Oxidatively Induced Reductive Elimination: Exploring the Scope and Catalyst Systems with Ir, Rh, and Ru Complexes.","Journal of the American Chemical Society","2019","141","9","4137","4146","10.1021/jacs.9b00364","","","0.71073","MoKα","","0.0253","0.0198","","","0.0486","0.0516","","","","","","1.141","","","","has coordinates,has disorder","221611","2020-10-21","18:00:00",""
"4128530","7.7219","0.0009","15.438","0.0018","16.476","0.002","90","","90","","90","","1964.1","0.4","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H26 N Rh -","- C24 H26 N Rh -","- C96 H104 N4 Rh4 -","4","0.5","","Kim, Jinwoo; Shin, Kwangmin; Jin, Seongho; Kim, Dongwook; Chang, Sukbok","Oxidatively Induced Reductive Elimination: Exploring the Scope and Catalyst Systems with Ir, Rh, and Ru Complexes.","Journal of the American Chemical Society","2019","141","9","4137","4146","10.1021/jacs.9b00364","","","0.71073","MoKα","","0.122","0.0551","","","0.1169","0.1378","","","","","","1.038","","","","has coordinates,has disorder","221612","2020-10-21","18:00:00",""
"4128531","11.4269","0.001","13.8051","0.0013","15.1312","0.0014","90","","90.052","0.003","90","","2386.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 F3 N Ru -","- C30 H26 F3 N Ru -","- C120 H104 F12 N4 Ru4 -","4","1","","Kim, Jinwoo; Shin, Kwangmin; Jin, Seongho; Kim, Dongwook; Chang, Sukbok","Oxidatively Induced Reductive Elimination: Exploring the Scope and Catalyst Systems with Ir, Rh, and Ru Complexes.","Journal of the American Chemical Society","2019","141","9","4137","4146","10.1021/jacs.9b00364","","","0.71073","MoKα","","0.0557","0.0328","","","0.0637","0.0716","","","","","","1.039","","","","has coordinates","221613","2020-10-21","18:00:00",""
"4128532","10.0608","0.0004","15.6796","0.0006","16.4999","0.0006","75.5893","0.0013","87.1754","0.0014","87.4635","0.0014","2516.51","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 F3 N Rh -","- C30 H27 F3 N Rh -","- C120 H108 F12 N4 Rh4 -","4","2","","Kim, Jinwoo; Shin, Kwangmin; Jin, Seongho; Kim, Dongwook; Chang, Sukbok","Oxidatively Induced Reductive Elimination: Exploring the Scope and Catalyst Systems with Ir, Rh, and Ru Complexes.","Journal of the American Chemical Society","2019","141","9","4137","4146","10.1021/jacs.9b00364","","","0.71073","MoKα","","0.0487","0.0303","","","0.0664","0.0731","","","","","","1.026","","","","has coordinates,has disorder","221614","2020-10-21","18:00:00",""
"4128533","27.7435","0.0013","4.9525","0.0002","8.2103","0.0004","90","","91.246","0.004","90","","1127.83","0.09","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- H4 Li2 N Na O8 S2 -","- H4 Li2 N Na O8 S2 -","- H24 Li12 N6 Na6 O48 S12 -","6","1.5","","Li, Yanqiang; Liang, Fei; Zhao, Sangen; Li, Lina; Wu, Zhenyue; Ding, Qingran; Liu, Shuai; Lin, Zheshuai; Hong, Maochun; Luo, Junhua","Two Non-π-Conjugated Deep-UV Nonlinear Optical Sulfates.","Journal of the American Chemical Society","2019","141","9","3833","3837","10.1021/jacs.9b00138","","","0.71073","MoKα","","0.023","0.0224","","","0.0566","0.0571","","","","","","1.063","","","","has coordinates","221615","2020-10-21","18:00:00",""
"4128534","12.1271","0.0006","12.1271","0.0006","4.8365","0.0002","90","","90","","120","","615.99","0.05","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- H8 Li9 N2 Na3 O28 S7 -","- H8 Li9 N2 Na3 O28 S7 -","- H8 Li9 N2 Na3 O28 S7 -","1","0.166667","","Li, Yanqiang; Liang, Fei; Zhao, Sangen; Li, Lina; Wu, Zhenyue; Ding, Qingran; Liu, Shuai; Lin, Zheshuai; Hong, Maochun; Luo, Junhua","Two Non-π-Conjugated Deep-UV Nonlinear Optical Sulfates.","Journal of the American Chemical Society","2019","141","9","3833","3837","10.1021/jacs.9b00138","","","0.71073","MoKα","","0.0373","0.0347","","","0.0858","0.0874","","","","","","1.109","","","","has coordinates","221616","2020-10-21","18:00:00",""
"4128535","17.825","0.0003","8.2502","0.0001","20.6233","0.0004","90","","108.527","0.008","90","","2875.68","0.16","30","","30","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H44 N10 O11 -","- C17 H44 N10 O11 -","- C68 H176 N40 O44 -","4","1","","Shi, Ming W.; Thomas, Sajesh P.; Hathwar, Venkatesha R.; Edwards, Alison J.; Piltz, Ross O.; Jayatilaka, Dylan; Koutsantonis, George A.; Overgaard, Jacob; Nishibori, Eiji; Iversen, Bo B.; Spackman, Mark A.","Measurement of Electric Fields Experienced by Urea Guest Molecules in the 18-Crown-6/Urea (1:5) Host-Guest Complex: An Experimental Reference Point for Electric-Field-Assisted Catalysis.","Journal of the American Chemical Society","2019","141","9","3965","3976","10.1021/jacs.8b12927","","neutron","0.85","neutron","","0.0949","0.0572","","0.0533","0.0379","0.0371","","","","","","0.9312","","","","has coordinates","221617","2020-10-21","18:00:00",""
"4128536","17.825","0.0003","8.2502","0.0001","20.6233","0.0004","90","","108.527","0.008","90","","2875.68","0.16","30","2","30","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","18-crown-6 pentakis(urea)","1,4,7,10,13,16-Hexaoxacyclo-octadecane pentakis(urea) clathrate","","- C17 H44 N10 O11 -","- C17 H44 N10 O11 -","- C68 H176 N40 O44 -","4","1","","Shi, Ming W.; Thomas, Sajesh P.; Hathwar, Venkatesha R.; Edwards, Alison J.; Piltz, Ross O.; Jayatilaka, Dylan; Koutsantonis, George A.; Overgaard, Jacob; Nishibori, Eiji; Iversen, Bo B.; Spackman, Mark A.","Measurement of Electric Fields Experienced by Urea Guest Molecules in the 18-Crown-6/Urea (1:5) Host-Guest Complex: An Experimental Reference Point for Electric-Field-Assisted Catalysis.","Journal of the American Chemical Society","2019","141","9","3965","3976","10.1021/jacs.8b12927","","synchrotron","0.24783","Synchrotron,monochromatic","","0.028","0.014","","","","0.036","0.019","","","","","0.997","","","","has coordinates","221617","2020-10-21","18:00:00",""
"4128537","39.75","0.002","8.2718","0.0004","8.2733","0.0005","90","","90","","90","","2720.3","0.3","360","2","360","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H24 Br7 Cs N2 Pb2 -","- C8 H24 Br7 Cs N2 Pb2 -","- C32 H96 Br28 Cs4 N8 Pb8 -","4","0.25","","Wu, Zhenyue; Liu, Xitao; Ji, Chengmin; Li, Lina; Wang, Sasa; Peng, Yu; Tao, Kewen; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Discovery of an Above-Room-Temperature Antiferroelectric in Two-Dimensional Hybrid Perovskite.","Journal of the American Chemical Society","2019","141","9","3812","3816","10.1021/jacs.8b13827","","","0.71073","MoKα","","0.0855","0.0453","","","0.0995","0.1196","","","","","","1.025","","","","has coordinates","221618","2020-10-21","18:00:00",""
"4128538","39.342","0.008","8.2081","0.0016","8.3092","0.0017","90","","90","","90","","2683.2","0.9","293","2","293","2","","","","","","","","6","P m n b","-P 2bc 2a","62","","","","- C8 H24 Br7 Cs N2 Pb2 -","- C8 H24 Br7 Cs N2 Pb2 -","- C32 H96 Br28 Cs4 N8 Pb8 -","4","0.5","","Wu, Zhenyue; Liu, Xitao; Ji, Chengmin; Li, Lina; Wang, Sasa; Peng, Yu; Tao, Kewen; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Discovery of an Above-Room-Temperature Antiferroelectric in Two-Dimensional Hybrid Perovskite.","Journal of the American Chemical Society","2019","141","9","3812","3816","10.1021/jacs.8b13827","","","0.71073","MoKα","","0.0669","0.0368","","","0.0762","0.0906","","","","","","1.004","","","","has coordinates","221619","2020-10-21","18:00:00",""
"4128539","17.1853","0.00023","17.1853","","20.4819","0.0004","90","","90","","90","","6049.01","0.14","298","","298","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H16 Fe2 N S4 -","- C10 H16 Fe2 N S4 -","- C160 H256 Fe32 N16 S64 -","16","1","","Horwitz, Noah E.; Xie, Jiaze; Filatov, Alexander S.; Papoular, Robert J.; Shepard, William E.; Zee, David Z.; Grahn, Mia P.; Gilder, Chloe; Anderson, John S.","Redox-Active 1D Coordination Polymers of Iron-Sulfur Clusters.","Journal of the American Chemical Society","2019","141","9","3940","3951","10.1021/jacs.8b12339","powder diffraction","x-ray","0.412748","synchrotron","","","","","","","","0.04894","","2.02","","","","","","","has coordinates","221620","2020-10-21","18:00:00",""
"4128540","11.92662","0.00028","11.92662","","19.8484","0.0005","90","","90","","90","","2823.32","0.1","298","","298","","","","","","","","","5","P 42 c m","P 4c -2c","101","","","","- C22 H40 Fe2 N S4 -","- C22 H40 Fe2 N S4 -","- C88 H160 Fe8 N4 S16 -","4","0.5","","Horwitz, Noah E.; Xie, Jiaze; Filatov, Alexander S.; Papoular, Robert J.; Shepard, William E.; Zee, David Z.; Grahn, Mia P.; Gilder, Chloe; Anderson, John S.","Redox-Active 1D Coordination Polymers of Iron-Sulfur Clusters.","Journal of the American Chemical Society","2019","141","9","3940","3951","10.1021/jacs.8b12339","powder diffraction","x-ray","0.412748","synchrotron","","","","","","","","0.26224","","2.79","","","","","","","has coordinates","221621","2020-10-21","18:00:00",""
"4128541","9.093","0.002","19.7","0.005","21.859","0.005","90","","90","","90","","3915.6","1.6","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H28 Cl6 O6 -","- C45 H28 Cl6 O6 -","- C180 H112 Cl24 O24 -","4","1","","Takaishi, Kazuto; Hinoide, Sakiko; Matsumoto, Tomoki; Ema, Tadashi","Axially Chiral <i>peri</i>-Xanthenoxanthenes as a Circularly Polarized Luminophore.","Journal of the American Chemical Society","2019","141","30","11852","11857","10.1021/jacs.9b06240","","","0.71075","MoKα","","0.07","0.0597","","","0.148","0.1568","","","","","","1.04","","","","has coordinates","221622","2020-10-21","18:00:00",""
"4128542","8.2394","0.0004","28.4962","0.0012","12.2667","0.0005","90","","90.028","0.006","90","","2880.1","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H22 O6 -","- C42 H22 O6 -","- C168 H88 O24 -","4","2","","Takaishi, Kazuto; Hinoide, Sakiko; Matsumoto, Tomoki; Ema, Tadashi","Axially Chiral <i>peri</i>-Xanthenoxanthenes as a Circularly Polarized Luminophore.","Journal of the American Chemical Society","2019","141","30","11852","11857","10.1021/jacs.9b06240","","","1.54187","CuKα","","0.041","0.0348","","","0.0785","0.0817","","","","","","1.011","","","","has coordinates","221623","2020-10-21","18:00:00",""
"4128543","8.331","0.0014","11.358","0.0019","12.437","0.002","95.499","0.005","103.944","0.005","90.227","0.005","1136.5","0.3","206","2","206","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cl2 O4 S -","- C24 H20 Cl2 O4 S -","- C48 H40 Cl4 O8 S2 -","2","1","","Meng, Lingkui; Wu, Peng; Fang, Jing; Xiao, Ying; Xiao, Xiong; Tu, Guangsheng; Ma, Xiang; Teng, Shuang; Zeng, Jing; Wan, Qian","Glycosylation Enabled by Successive Rhodium(II) and Brønsted Acid Catalysis.","Journal of the American Chemical Society","2019","141","30","11775","11780","10.1021/jacs.9b04619","","","1.54178","cukα","","0.1173","0.0436","","","0.1251","0.1637","","","","","","1.264","","","","has coordinates","221624","2020-10-21","18:00:00",""
"4128544","43.026","0.0004","43.026","0.0004","43.026","0.0004","90","","90","","90","","79651.3","1.3","120","2","120","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C143.99 H119.99 Cl6 N12 O40 Zr12 -","- C144 H120 Cl6 N12 O40 Zr12 -","- C1152 H960 Cl48 N96 O320 Zr96 -","8","0.0416667","","Liu, Jinjin; Duan, Wenjie; Song, Jie; Guo, Xiuxiu; Wang, Zhifang; Shi, Xinlei; Liang, Jiajie; Wang, Juan; Cheng, Peng; Chen, Yao; Zaworotko, Michael J.; Zhang, Zhenjie","Self-Healing Hyper-Cross-Linked Metal-Organic Polyhedra (HCMOPs) Membranes with Antimicrobial Activity and Highly Selective Separation Properties.","Journal of the American Chemical Society","2019","141","30","12064","12070","10.1021/jacs.9b05155","","","0.71073","MoKα","","0.1128","0.085","","","0.2644","0.281","","","","","","1.084","","","","has coordinates,has disorder","221625","2020-10-21","18:00:00",""
"4128545","10.8558","0.0004","13.0976","0.0005","19.9752","0.0007","72.7024","0.0018","89.0943","0.0018","68.2116","0.0017","2503.64","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H66 B2 Fe2 N8 -","- C52 H66 B2 Fe2 N8 -","- C104 H132 B4 Fe4 N16 -","2","1","","Hickey, Anne K.; Greer, Samuel M.; Valdez-Moreira, Juan A; Lutz, Sean A.; Pink, Maren; DeGayner, Jordan A.; Harris, T. David; Hill, Stephen; Telser, Joshua; Smith, Jeremy M.","A Dimeric Hydride-Bridged Complex with Geometrically Distinct Iron Centers Giving Rise to an <i>S</i> = 3 Ground State.","Journal of the American Chemical Society","2019","141","30","11970","11975","10.1021/jacs.9b04389","","","0.71073","MoKα","","0.0713","0.0412","","","0.0857","0.0942","","","","","","1.035","","","","has coordinates","221626","2020-10-21","18:00:00",""
"4128546","6.7306","0.0003","9.662","0.0005","16.8578","0.0008","95.475","0.002","98.967","0.002","106.855","0.002","1024.84","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H28 B F3 O2 -","- C21 H28 B F3.003 O2 -","- C42 H56 B2 F6.006 O4 -","2","2","","Sun, Yu; Zhou, Yuebiao; Shi, Ying; Del Pozo, Juan; Torker, Sebastian; Hoveyda, Amir H.","Copper-Hydride-Catalyzed Enantioselective Processes with Allenyl Boronates. Mechanistic Nuances, Scope, and Utility in Target-Oriented Synthesis.","Journal of the American Chemical Society","2019","141","30","12087","12099","10.1021/jacs.9b05465","","","1.54178","CuKα","","0.0475","0.0468","","","0.13","0.1308","","","","","","1.037","","","","has coordinates,has disorder","221627","2020-10-21","18:00:00",""
"4128547","10.458","0.002","25.05","0.005","15.77","0.003","90","0.03","107.96","0.03","90","0.03","3930","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H57 B Cu N2 O2.5 -","- C38 H57 B Cu N2 O2.5 -","- C152 H228 B4 Cu4 N8 O10 -","4","1","","Sun, Yu; Zhou, Yuebiao; Shi, Ying; Del Pozo, Juan; Torker, Sebastian; Hoveyda, Amir H.","Copper-Hydride-Catalyzed Enantioselective Processes with Allenyl Boronates. Mechanistic Nuances, Scope, and Utility in Target-Oriented Synthesis.","Journal of the American Chemical Society","2019","141","30","12087","12099","10.1021/jacs.9b05465","","","1.54178","CuKα","","0.0517","0.0482","","","0.1424","0.1455","","","","","","1.081","","","","has coordinates,has disorder","221628","2020-10-21","18:00:00",""
"4128548","7.2268","0.0011","33.721","0.005","9.7279","0.0015","90","","96.327","0.003","90","","2356.2","0.6","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N3 Ni O2 S -","- C28 H25 N3 Ni O2 S -","- C112 H100 N12 Ni4 O8 S4 -","4","1","","Ravn, Anne K.; Vilstrup, Maria B. T.; Noerby, Peter; Nielsen, Dennis U.; Daasbjerg, Kim; Skrydstrup, Troels","Carbon Isotope Labeling Strategy for β-Amino Acid Derivatives via Carbonylation of Azanickellacycles.","Journal of the American Chemical Society","2019","141","30","11821","11826","10.1021/jacs.9b05934","","","0.56086","AgKα","","0.0489","0.0389","","","0.0892","0.0942","","","","","","1.091","","","","has coordinates","221629","2020-10-21","18:00:00",""
"4128549","10.6334","0.0008","10.7865","0.0008","11.1203","0.0008","84.176","0.003","83.985","0.003","71.067","0.003","1196.73","0.15","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H25 N3 Ni O3 S -","- C29 H25 N3 Ni O3 S -","- C58 H50 N6 Ni2 O6 S2 -","2","1","","Ravn, Anne K.; Vilstrup, Maria B. T.; Noerby, Peter; Nielsen, Dennis U.; Daasbjerg, Kim; Skrydstrup, Troels","Carbon Isotope Labeling Strategy for β-Amino Acid Derivatives via Carbonylation of Azanickellacycles.","Journal of the American Chemical Society","2019","141","30","11821","11826","10.1021/jacs.9b05934","","","0.56086","AgKα","","0.0411","0.0337","","","0.0814","0.0859","","","","","","1.086","","","","has coordinates","221629","2020-10-21","18:00:00",""
"4128550","9.6272","0.0004","9.1437","0.0004","11.9261","0.0006","90","","90","","90","","1049.83","0.08","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Ba2 P6 Si3 -","- Ba2 P6 Si3 -","- Ba8 P24 Si12 -","4","1","","Mark, Justin; Wang, Jian; Wu, Kui; Lo, Jeane Gladys; Lee, Shannon; Kovnir, Kirill","Ba<sub>2</sub>Si<sub>3</sub>P<sub>6</sub>: 1D Nonlinear Optical Material with Thermal Barrier Chains.","Journal of the American Chemical Society","2019","141","30","11976","11983","10.1021/jacs.9b04653","","","0.71073","MoKα","","0.0185","0.0151","","","0.0315","0.0319","","","","","","1.109","","","","has coordinates","221630","2020-10-21","18:00:00",""
"4128551","34.623","0.014","34.623","0.014","15.731","0.004","90","","90","","120","","16331","10","110","","110","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C176 H212 Au25 N55 S18 -","- C176.002 H144 Au25 N55 S18 -","- C528.005 H432 Au75 N165 S54 -","3","0.166667","","Gunawardene, Praveen N.; Corrigan, John F.; Workentin, Mark S.","Golden Opportunity: A Clickable Azide-Functionalized [Au<sub>25</sub>(SR)<sub>18</sub>]<sup>-</sup> Nanocluster Platform for Interfacial Surface Modifications.","Journal of the American Chemical Society","2019","141","30","11781","11785","10.1021/jacs.9b05182","","","0.71073","MoKα","","0.0859","0.0515","","","0.1266","0.1592","","","","","","1.145","","","","has coordinates,has disorder","221631","2020-10-21","18:00:00",""
"4128552","42.9147","0.0015","15.7637","0.0005","16.3301","0.0005","90","","90","","90","","11047.2","0.6","170","2","170","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C59 H76 Cl2 O10 -","- C59 H76 Cl2 O10 -","- C472 H608 Cl16 O80 -","8","1","","Zhou, Yujuan; Jie, Kecheng; Zhao, Run; Huang, Feihe","<i>Cis</i>-<i>Trans</i> Selectivity of Haloalkene Isomers in Nonporous Adaptive Pillararene Crystals.","Journal of the American Chemical Society","2019","141","30","11847","11851","10.1021/jacs.9b06188","","","1.34139","GaKα","","0.1229","0.0715","","","0.1553","0.185","","","","","","1.024","","","","has coordinates,has disorder","221632","2020-10-21","18:00:00",""
"4128553","11.365","0.0003","13.1318","0.0003","21.8808","0.0005","90","","91.274","0.001","90","","3264.75","0.14","111","2","111.51","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H45 Cl O6 -","- C35 H45 Cl O6 -","- C140 H180 Cl4 O24 -","4","1","","Zhou, Yujuan; Jie, Kecheng; Zhao, Run; Huang, Feihe","<i>Cis</i>-<i>Trans</i> Selectivity of Haloalkene Isomers in Nonporous Adaptive Pillararene Crystals.","Journal of the American Chemical Society","2019","141","30","11847","11851","10.1021/jacs.9b06188","","","1.34139","GaKα","","0.0731","0.0627","","","0.1642","0.1733","","","","","","1.032","","","","has coordinates","221633","2020-10-21","18:00:00",""
"4128554","43.026","0.002","15.8064","0.0008","16.2928","0.0008","90","","90","","90","","11080.5","0.9","170","2","170","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C59 H76 Cl2 O10 -","- C59 H76 Cl2 O10 -","- C472 H608 Cl16 O80 -","8","1","","Zhou, Yujuan; Jie, Kecheng; Zhao, Run; Huang, Feihe","<i>Cis</i>-<i>Trans</i> Selectivity of Haloalkene Isomers in Nonporous Adaptive Pillararene Crystals.","Journal of the American Chemical Society","2019","141","30","11847","11851","10.1021/jacs.9b06188","","","1.34139","GaKα","","0.1004","0.068","","","0.1667","0.1902","","","","","","1.036","","","","has coordinates","221634","2020-10-21","18:00:00",""
"4128555","26.441","0.004","12.5644","0.0018","25.776","0.004","90","","120.301","0.008","90","","7393","2","110","2","110.01","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C78 H102 Cl3 O12 -","- C78 H84 Cl3 O12 -","- C312 H336 Cl12 O48 -","4","0.5","","Zhou, Yujuan; Jie, Kecheng; Zhao, Run; Huang, Feihe","<i>Cis</i>-<i>Trans</i> Selectivity of Haloalkene Isomers in Nonporous Adaptive Pillararene Crystals.","Journal of the American Chemical Society","2019","141","30","11847","11851","10.1021/jacs.9b06188","","","1.34139","GaKα","","0.1361","0.1292","","","0.2839","0.2869","","","","","","0.982","","","","has coordinates,has disorder","221635","2020-10-21","18:00:00",""
"4128556","22.174","0.001","10.4504","0.0004","28.6661","0.0014","90","","111.129","0.005","90","","6196.1","0.5","100","0.2","100","0.2","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C256 H336 N16 O48 -","16","4","","Lei, Honghui; Conway, Jr, John H; Cook, Caleb C.; Rovis, Tomislav","Ligand Controlled Ir-Catalyzed Regiodivergent Oxyamination of Unactivated Alkenes.","Journal of the American Chemical Society","2019","141","30","11864","11869","10.1021/jacs.9b06366","","x-ray","0.71073","MoKα","","0.0963","0.0673","","","0.1246","0.1432","","","","","","1.028","","","","has coordinates,has disorder","221636","2020-10-21","18:00:00",""
"4128557","4.5734","0.00017","9.8222","0.0004","15.0672","0.0006","90","","94.519","0.004","90","","674.73","0.05","100.3","0.6","100.3","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C24 H44 N4 O8 -","4","1","","Lei, Honghui; Conway, Jr, John H; Cook, Caleb C.; Rovis, Tomislav","Ligand Controlled Ir-Catalyzed Regiodivergent Oxyamination of Unactivated Alkenes.","Journal of the American Chemical Society","2019","141","30","11864","11869","10.1021/jacs.9b06366","","x-ray","1.54184","CuKα","","0.0502","0.0478","","","0.1329","0.1358","","","","","","1.077","","","","has coordinates,has disorder","221637","2020-10-21","18:00:00",""
"4128558","5.9616","0.0005","7.0596","0.0005","9.5102","0.0006","70.172","0.006","89.251","0.006","79.122","0.007","369.19","0.05","99.98","0.11","99.98","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Br N O -","- C6 H10 Br N O -","- C12 H20 Br2 N2 O2 -","2","1","","Lei, Honghui; Conway, Jr, John H; Cook, Caleb C.; Rovis, Tomislav","Ligand Controlled Ir-Catalyzed Regiodivergent Oxyamination of Unactivated Alkenes.","Journal of the American Chemical Society","2019","141","30","11864","11869","10.1021/jacs.9b06366","","x-ray","0.71073","MoKα","","0.039","0.0323","","","0.0605","0.0647","","","","","","0.993","","","","has coordinates,has disorder","221638","2020-10-21","18:00:00",""
"4128559","8.3359","0.0004","11.5375","0.0005","11.8279","0.0005","90","","90","","90","","1137.55","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 N4 O4 -","- C9 H16 N4 O4 -","- C36 H64 N16 O16 -","4","1","","Zhang, Weicheng; Pal, Ayan; Ricardo, Alonso; Szostak, Jack W.","Template-Directed Nonenzymatic Primer Extension Using 2-Methylimidazole-Activated Morpholino Derivatives of Guanosine and Cytidine.","Journal of the American Chemical Society","2019","141","30","12159","12166","10.1021/jacs.9b06453","","","1.54178","CuKα","","0.0234","0.0233","","","0.0612","0.0613","","","","","","1.073","","","","has coordinates","221639","2020-10-21","18:00:00",""
"4128560","8.38505","0.00012","36.0429","0.0005","8.62496","0.00013","90","","98.4463","0.0012","90","","2578.38","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H68 N24 O18 -","- C40.001 H68.004 N24 O18.001 -","- C80.002 H136.008 N48 O36.002 -","2","1","","Zhang, Weicheng; Pal, Ayan; Ricardo, Alonso; Szostak, Jack W.","Template-Directed Nonenzymatic Primer Extension Using 2-Methylimidazole-Activated Morpholino Derivatives of Guanosine and Cytidine.","Journal of the American Chemical Society","2019","141","30","12159","12166","10.1021/jacs.9b06453","","","1.54178","CuKα","","0.0459","0.0431","","","0.1165","0.1193","","","","","","1.025","","","","has coordinates,has disorder","221640","2020-10-21","18:00:00",""
"4128561","29.9757","0.0004","29.9757","0.0004","25.6092","0.0005","90","","90","","90","","23011","0.6","100.01","0.1","100.01","0.1","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C336 H348 Ag40 P8 S24 -","- C336 H348 Ag40 P8 S24 -","- C672 H696 Ag80 P16 S48 -","2","0.25","","Yuan, Xiting; Sun, Cunfa; Li, Xihua; Malola, Sami; Teo, Boon K.; Häkkinen, Hannu; Zheng, Lan-Sun; Zheng, Nanfeng","Combinatorial Identification of Hydrides in a Ligated Ag<sub>40</sub> Nanocluster with Noncompact Metal Core.","Journal of the American Chemical Society","2019","141","30","11905","11911","10.1021/jacs.9b03009","","x-ray","0.71073","MoKα","","0.1729","0.1055","","","0.2655","0.3327","","","","","","1.056","","","","has coordinates","221641","2020-10-21","18:00:00",""
"4128562","9.3985","0.00009","35.4184","0.0004","11.55526","0.00011","90","","90.1733","0.0009","90","","3846.5","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H38 Au Cl F12 N P -","- C40 H38 Au Cl F12 N P -","- C160 H152 Au4 Cl4 F48 N4 P4 -","4","2","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.7107","MoKα","","0.0508","0.0496","","","0.142","0.1424","","","","","","1.464","","","","has coordinates","221642","2020-10-21","18:00:00",""
"4128563","13.4203","0.0006","18.534","0.0007","24.6963","0.001","90","","103.767","0.0013","90","","5966.3","0.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C114.5 H94 Au2 B Cl F48 N2 P2 -","- C114.5 H94 Au2 B Cl F48 N2 P2 -","- C229 H188 Au4 B2 Cl2 F96 N4 P4 -","2","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.71073","MoKα","","0.0482","0.0357","","","0.0734","0.0784","","","","","","1.008","","","","has coordinates,has disorder","221643","2020-10-21","18:00:00",""
"4128564","24.0901","0.0002","12.5656","0.0001","17.3127","0.0001","90","","93.747","0.001","90","","5229.47","0.07","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C54.4 H69.4 Au Cl3.4 N O1.3 P -","- C54.4 H69.4 Au Cl3.4 N O1.3 P -","- C217.6 H277.6 Au4 Cl13.6 N4 O5.2 P4 -","4","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.7107","MoKα","","0.0378","0.0334","","","0.0844","0.0859","","","","","","1.078","","","","has coordinates,has disorder","221644","2020-10-21","18:00:00",""
"4128565","11.051","0.0002","5.95087","0.00013","13.0137","0.0004","90","","96.926","0.002","90","","849.58","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C42 H48 O6 -","2","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.7107","MoKα","","0.0517","0.0395","","","0.0936","0.0992","","","","","","0.979","","","","has coordinates","221645","2020-10-21","18:00:00",""
"4128566","10.6353","0.0006","13.0254","0.0007","15.5365","0.0009","107.834","0.0015","104.675","0.0016","98.9253","0.0016","1917.66","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22.25 H27 O3 -","- C22.25 H27 O3 -","- C89 H108 O12 -","4","2","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.71073","MoKα","","0.0667","0.0531","","","0.1447","0.1556","","","","","","1.029","","","","has coordinates,has disorder","221646","2020-10-21","18:00:00",""
"4128567","17.5452","0.0005","11.4903","0.0004","24.4692","0.0008","90","","90","","90","","4933","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H38 O6 -","- C27 H38 O6 -","- C216 H304 O48 -","8","2","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.71073","MoKα","","0.05","0.0395","","","0.0961","0.1018","","","","","","1.045","","","","has coordinates,has disorder","221647","2020-10-21","18:00:00",""
"4128568","13.3067","0.0008","7.852","0.0005","17.2035","0.0011","90","","107.407","0.002","90","","1715.18","0.19","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.71073","MoKα","","0.0711","0.0492","","","0.1223","0.1355","","","","","","1.038","","","","has coordinates","221648","2020-10-21","18:00:00",""
"4128569","10.9819","0.0005","8.2059","0.0004","12.0674","0.0005","90","","102.146","0.001","90","","1063.13","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H30 O2 -","- C27 H30 O2 -","- C54 H60 O4 -","2","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","1.54178","CuKα","","0.0286","0.0285","","","0.0741","0.0743","","","","","","1.048","","","","has coordinates","221649","2020-10-21","18:00:00",""
"4128570","14.6354","0.0007","14.6996","0.0005","14.9478","0.0004","108.499","0.003","118.729","0.004","96.102","0.003","2541.4","0.2","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C107.95 H109.9 Au2 Cl2.4 F24 N2 O0.25 P2 -","- C107.95 H109.9 Au2 Cl2.4 F24 N2 O0.25 P2 -","- C107.95 H109.9 Au2 Cl2.4 F24 N2 O0.25 P2 -","1","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.7107","MoKα","","0.1138","0.0807","","","0.1753","0.1851","","","","","","0.984","","","","has coordinates,has disorder","221650","2020-10-21","18:00:00",""
"4128571","14.4908","0.0005","14.6376","0.0005","15.2041","0.0008","66.7066","0.0015","61.5893","0.001","83.9903","0.0011","2591.4","0.19","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C54.9 H53.5 Au Cl1.3 F15 N P -","- C54.9 H53.5 Au Cl1.3 F15 N P -","- C109.8 H107 Au2 Cl2.6 F30 N2 P2 -","2","2","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.71073","MoKα","","0.032","0.0263","","","0.0553","0.0573","","","","","","1.003","","","","has coordinates,has disorder","221651","2020-10-21","18:00:00",""
"4128572","9.2294","0.0004","9.5235","0.0004","9.8268","0.0005","76.3219","0.0014","66.9921","0.0014","89.3666","0.0015","769.28","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H42 Fe O6 -","- C36 H42 Fe O6 -","- C36 H42 Fe O6 -","1","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.71073","MoKα","","0.0278","0.027","","","0.0636","0.0641","","","","","","1.032","","","","has coordinates","221652","2020-10-21","18:00:00",""
"4128573","19.752","0.0007","10.2926","0.0003","46.4258","0.0015","90","","94.082","0.003","90","","9414.4","0.5","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C52 H50 Au Cl F12 N P -","- C52 H50 Au Cl F12 N P -","- C416 H400 Au8 Cl8 F96 N8 P8 -","8","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.7107","MoKα","","0.1145","0.0742","","","0.2083","0.2189","","","","","","1.304","","","","has coordinates,has disorder","221653","2020-10-21","18:00:00",""
"4128574","52.893","0.011","8.1609","0.0016","38.856","0.008","90","","132.39","0.03","90","","12388","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H80 As8 F48 N20 O2 Pd4 -","- C92 H76 As7.998 F48 N20 O2 Pd4 -","- C368 H304 As31.992 F192 N80 O8 Pd16 -","4","0.5","","Lavendomme, Roy; Ronson, Tanya K.; Nitschke, Jonathan R.","Metal and Organic Templates Together Control the Size of Covalent Macrocycles and Cages.","Journal of the American Chemical Society","2019","141","30","12147","12158","10.1021/jacs.9b06182","","","0.6889","Synchrotron","","0.1015","0.0772","","","0.1976","0.2137","","","","","","0.956","","","","has coordinates,has disorder","221654","2020-10-21","18:00:00",""
"4128575","21.9773","0.0008","22.3335","0.0005","34.7471","0.0009","107.703","0.002","91.695","0.003","116.031","0.002","14331.9","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C243 H178.25 B F70 N35.25 O19 Pd6 Sb11 -","- C243 H166.5 B F64.9 N35.25 O19 Pd6 Sb10.15 -","- C486 H333 B2 F129.8 N70.5 O38 Pd12 Sb20.3 -","2","1","","Lavendomme, Roy; Ronson, Tanya K.; Nitschke, Jonathan R.","Metal and Organic Templates Together Control the Size of Covalent Macrocycles and Cages.","Journal of the American Chemical Society","2019","141","30","12147","12158","10.1021/jacs.9b06182","","","0.6889","Synchrotron","","0.1273","0.0899","","","0.2895","0.3145","","","","","","1.054","","","","has coordinates,has disorder","221655","2020-10-21","18:00:00",""
"4128576","21.948","0.004","30.273","0.006","31.103","0.006","90","","90","","90","","20666","7","100","2","100","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C138 H102 As6 Cl6 F36 N22 Pd6 -","- C138 H102 As6 Cl6 F36 N22 Pd6 -","- C552 H408 As24 Cl24 F144 N88 Pd24 -","4","0.25","","Lavendomme, Roy; Ronson, Tanya K.; Nitschke, Jonathan R.","Metal and Organic Templates Together Control the Size of Covalent Macrocycles and Cages.","Journal of the American Chemical Society","2019","141","30","12147","12158","10.1021/jacs.9b06182","","","0.6889","Synchrotron","","0.1534","0.1278","","","0.3265","0.3485","","","","","","1.074","","","","has coordinates,has disorder","221656","2020-10-21","18:00:00",""
"4128577","11.2263","0.0016","11.4866","0.0016","12.2107","0.0018","68.513","0.003","67.287","0.003","70.345","0.003","1316.2","0.3","100","2","99.95","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 Cl8 Fe3 O6 -","- C48 H48 Cl8 Fe3 O6 -","- C48 H48 Cl8 Fe3 O6 -","1","0.5","","Hanson, Carly S.; Psaltakis, Mary C.; Cortes, Janiel J.; Devery, 3rd, James J","Catalyst Behavior in Metal-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2019","141","30","11870","11880","10.1021/jacs.9b02613","","","0.71073","MoKα","","0.1176","0.077","","","0.2169","0.2445","","","","","","1.045","","","","has coordinates","221657","2020-10-21","18:00:00",""
"4128578","10.4909","0.0004","11.3351","0.0004","13.476","0.0005","93.2595","0.0009","92.3269","0.0008","94.7368","0.0008","1592.79","0.1","100","2","100.02","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Cl6 Fe2 O4 -","- C28 H24 Cl6 Fe2 O4 -","- C56 H48 Cl12 Fe4 O8 -","2","1","","Hanson, Carly S.; Psaltakis, Mary C.; Cortes, Janiel J.; Devery, 3rd, James J","Catalyst Behavior in Metal-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2019","141","30","11870","11880","10.1021/jacs.9b02613","","","0.71073","MoKα","","0.0512","0.0321","","","0.0694","0.0759","","","","","","1.013","","","","has coordinates","221658","2020-10-21","18:00:00",""
"4128579","9.176","0.0003","18.7713","0.0007","10.2557","0.0004","90","","91.1083","0.0008","90","","1766.17","0.11","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 Cl8 Fe3 O6 -","- C18 H36 Cl8 Fe3 O6 -","- C36 H72 Cl16 Fe6 O12 -","2","0.5","","Hanson, Carly S.; Psaltakis, Mary C.; Cortes, Janiel J.; Devery, 3rd, James J","Catalyst Behavior in Metal-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2019","141","30","11870","11880","10.1021/jacs.9b02613","","","0.71073","MoKα","","0.0415","0.0295","","","0.0713","0.0766","","","","","","1.03","","","","has coordinates,has disorder","221659","2020-10-21","18:00:00",""
"4128580","39.887","0.003","39.887","0.003","39.887","0.003","90","","90","","90","","63459","8","200","2","200","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C252 H242 Co24 N12 O109 -","- C252 H216 Co24 N12 O109 -","- C1008 H864 Co96 N48 O436 -","4","0.0208333","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","0.71073","MoKα","","0.0863","0.0578","","","0.1634","0.1821","","","","","","0.993","","","","has coordinates,has disorder","221660","2020-10-21","18:00:00",""
"4128581","29.526","0.0009","29.7496","0.001","42.4158","0.0014","90","","90.473","0.002","90","","37256","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C324 H360 Mo24 N12 O102 -","- C324 H360 Mo24 N12 O102 -","- C648 H720 Mo48 N24 O204 -","2","0.5","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","1.54178","CuKα","","0.098","0.0806","","","0.2218","0.2394","","","","","","1.038","","","","has coordinates","221661","2020-10-21","18:00:00",""
"4128582","40.3","0.004","40.3","0.004","40.3","0.004","90","","90","","90","","65451","11","9.2","0.2","9.2","0.2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","Fe Metal Organic Framework","- C71.24 H45.4 D10.4 Fe4 N3.3 O23.22 -","- C59.232 H45.0072 D10.7856 Fe4 N3.30667 O23.224 -","- C1421.57 H1080.17 D258.854 Fe96 N79.36 O557.376 -","24","0.125","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","0.2775","neutron","","","","","","","","","","1.032","","","","","","","has coordinates","221662","2020-10-21","18:00:00",""
"4128583","40.237","0.006","40.237","0.006","40.237","0.006","90","","90","","90","","65144","17","6.54","0.08","6.54","0.08","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","Fe-Me-dabco MOF w/ CD4","- C39.13 H22.5 D19.49 Fe2 N1.65 O11.61 -","- C39.1313 H22.5036 D19.4861 Fe2 N1.65333 O11.612 -","- C1878.3 H1080.17 D935.334 Fe96 N79.36 O557.376 -","48","0.25","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","0.2775","neutron","","","","","","","","","","1.055","","","","","","","has coordinates","221663","2020-10-21","18:00:00",""
"4128584","39.85","0.002","39.85","0.002","39.85","0.002","90","","90","","90","","63283","6","13.085","0.004","13.085","0.004","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","Co-Me-dabco MOF w/ CD4","- C32.76 H17.52 Co2 D22.9 N1.38 O11.4 -","- C32.7553 H17.5244 Co2 D22.9027 N1.37933 O11.404 -","- C1572.26 H841.171 Co96 D1099.33 N66.208 O547.392 -","48","0.25","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","0.2775","neutron","","","","","","","","","","1.185","","","","","","","has coordinates","221664","2020-10-21","18:00:00",""
"4128585","39.86","0.003","39.86","0.003","39.86","0.003","90","","90","","90","","63330","8","13.1","0.02","13.1","0.02","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","Co-Me-dabco MOF w/ CD4","- C30.07 H17.52 Co2 D12.18 N1.38 O11.4 -","- C30.0722 H17.5244 Co2 D12.1827 N1.37933 O11.404 -","- C1443.47 H841.171 Co96 D584.768 N66.208 O547.392 -","48","0.25","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","0.2775","neutron","","","","","","","","","","1.061","","","","","","","has coordinates","221665","2020-10-21","18:00:00",""
"4128586","40.233","0.006","40.233","0.006","40.233","0.006","90","","90","","90","","65125","17","6.46","0.05","6.46","0.05","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","Fe-Me-dabco MOF w/ CD4","- C36.89 H22.5 D10.52 Fe2 N1.65 O11.61 -","- C36.89 H22.5036 D10.5155 Fe2 N1.65333 O11.612 -","- C1770.72 H1080.17 D504.742 Fe96 N79.36 O557.376 -","48","0.25","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","0.2775","neutron","","","","","","","","","","1.053","","","","","","","has coordinates","221666","2020-10-21","18:00:00",""
"4128587","39.857","0.002","39.857","0.002","39.857","0.002","90","","90","","90","","63316","6","13.14","0.04","13.14","0.04","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","Co-Me-dabco","- C28.19 H19.74 Co2 D9.07 N1.38 O10.65 -","- C28.944 H17.5244 Co2 D7.6692 N1.38 O11.404 -","- C1389.31 H841.171 Co96 D368.122 N66.24 O547.392 -","48","0.25","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","0.2775","neutron","","","","","","","","","","1.036","","","","","","","has coordinates","221667","2020-10-21","18:00:00",""
"4128588","10.8286","0.0008","11.9086","0.0009","12.5098","0.0009","81.132","0.002","76.324","0.002","66.007","0.002","1428.95","0.18","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C35 H45 N3 -","- C35 H45 N3 -","- C70 H90 N6 -","2","1","","Kieser, Jerod M.; Kinney, Zacharias J.; Gaffen, Joshua R.; Evariste, Sloane; Harrison, Alexandra M.; Rheingold, Arnold L.; Protasiewicz, John D.","Three Ways Isolable Carbenes Can Modulate Emission of NH-Containing Fluorophores.","Journal of the American Chemical Society","2019","141","30","12055","12063","10.1021/jacs.9b04864","","x-ray","0.71073","MoKα","","0.0591","0.0406","","","0.0898","0.1007","","","","","","1.03","","","","has coordinates","221668","2020-10-21","18:00:00",""
"4128589","23.3219","0.0003","9.3633","0.0002","17.7798","0.0004","90","","122.646","0.001","90","","3269.2","0.12","100","","100","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C39 H45 N3 -","- C39 H45 N3 -","- C156 H180 N12 -","4","1","","Kieser, Jerod M.; Kinney, Zacharias J.; Gaffen, Joshua R.; Evariste, Sloane; Harrison, Alexandra M.; Rheingold, Arnold L.; Protasiewicz, John D.","Three Ways Isolable Carbenes Can Modulate Emission of NH-Containing Fluorophores.","Journal of the American Chemical Society","2019","141","30","12055","12063","10.1021/jacs.9b04864","","x-ray","1.54178","CuKα","","0.0304","0.0298","","","0.0749","0.0755","","","","","","1.055","","","","has coordinates","221669","2020-10-21","18:00:00",""
"4128590","9.3881","0.0004","9.6798","0.0005","15.74","0.0012","104.169","0.005","90.296","0.005","98.022","0.005","1372.13","0.14","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C34 H44 N2 -","- C34 H44 N2 -","- C68 H88 N4 -","2","1","","Kieser, Jerod M.; Kinney, Zacharias J.; Gaffen, Joshua R.; Evariste, Sloane; Harrison, Alexandra M.; Rheingold, Arnold L.; Protasiewicz, John D.","Three Ways Isolable Carbenes Can Modulate Emission of NH-Containing Fluorophores.","Journal of the American Chemical Society","2019","141","30","12055","12063","10.1021/jacs.9b04864","","x-ray","1.54178","CuKα","","0.0552","0.048","","","0.1261","0.1324","","","","","","1.045","","","","has coordinates","221670","2020-10-21","18:00:00",""
"4128591","16.6802","0.0007","22.0707","0.0009","29.4908","0.0011","106.262","0.002","94.104","0.002","100.781","0.002","10149.7","0.7","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H46 N4 -","- C40 H46 N4 -","- C480 H552 N48 -","12","6","","Kieser, Jerod M.; Kinney, Zacharias J.; Gaffen, Joshua R.; Evariste, Sloane; Harrison, Alexandra M.; Rheingold, Arnold L.; Protasiewicz, John D.","Three Ways Isolable Carbenes Can Modulate Emission of NH-Containing Fluorophores.","Journal of the American Chemical Society","2019","141","30","12055","12063","10.1021/jacs.9b04864","","x-ray","1.54178","CuKα","","0.1651","0.0984","","","0.2505","0.3106","","","","","","1.051","","","","has coordinates,has disorder","221671","2020-10-21","18:00:00",""
"4128592","11.17","0.0007","12.9671","0.0009","15.7532","0.001","95.063","0.005","97.091","0.005","91.364","0.005","2254.1","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","5,14-Bis(4-(tert-butyl)phenyl)dibenzo[a,m]rubicene-9,18-dicarbaldehyde","","- C57 H44 Cl2 O2 -","- C57 H44 Cl2 O2 -","- C114 H88 Cl4 O4 -","2","1","","Liu, Junzhi; Mishra, Shantanu; Pignedoli, Carlo A.; Passerone, Daniele; Urgel, José I; Fabrizio, Alberto; Lohr, Thorsten G.; Ma, Ji; Komber, Hartmut; Baumgarten, Martin; Corminboeuf, Clémence; Berger, Reinhard; Ruffieux, Pascal; Müllen, Klaus; Fasel, Roman; Feng, Xinliang","Open-Shell Nonbenzenoid Nanographenes Containing Two Pairs of Pentagonal and Heptagonal Rings.","Journal of the American Chemical Society","2019","141","30","12011","12020","10.1021/jacs.9b04718","","","1.54178","CuKα","","0.1232","0.0669","","","0.1714","0.2023","","","","","","0.943","","","","has coordinates,has disorder","221672","2020-10-21","18:00:00",""
"4128593","12.0369","0.0006","15.4579","0.0007","22.539","0.0011","85.802","0.002","74.887","0.002","82.736","0.002","4012.6","0.3","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C132 H180 F12 N4 O16 P8 Pt4 S4 -","- C132.001 H180 F12.0018 N4 O16.0018 P8 Pt4 S4.0006 -","- C132.001 H180 F12.0018 N4 O16.0018 P8 Pt4 S4.0006 -","1","0.5","","Shi, Bingbing; Zhou, Zhixuan; Vanderlinden, Ryan T.; Tang, Jian-Hong; Yu, Guocan; Acharyya, Koushik; Sepehrpour, Hajar; Stang, Peter J.","Spontaneous Supramolecular Polymerization Driven by Discrete Platinum Metallacycle-Based Host-Guest Complexation.","Journal of the American Chemical Society","2019","141","30","11837","11841","10.1021/jacs.9b06181","","","0.71073","MoKα","","0.0507","0.0363","","","0.0873","0.0975","","","","","","1.023","","","","has coordinates,has disorder","221673","2020-10-21","18:00:00",""
"4128594","8.1884","0.0006","8.7282","0.0006","11.6015","0.0008","90","","97.533","0.003","90","","822","0.1","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Cl N O5 -","- C16 H18 Cl N O5 -","- C32 H36 Cl2 N2 O10 -","2","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.0368","0.0324","","","0.0821","0.0854","","","","","","1.033","","","","has coordinates","221674","2020-10-21","18:00:00",""
"4128595","10.802","0.0006","13.4468","0.0008","12.4893","0.0008","90","","111.444","0.003","90","","1688.52","0.18","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","2","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0563","0.0548","","","0.1364","0.1375","","","","","","1.047","","","","has coordinates","221675","2020-10-21","18:00:00",""
"4128596","10.449","0.0004","19.9438","0.001","23.4389","0.0012","90","","90","","90","","4884.5","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O7 -","- C16 H18 N2 O7 -","- C192 H216 N24 O84 -","12","3","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0279","0.0256","","","0.0652","0.0663","","","","","","1.029","","","","has coordinates","221676","2020-10-21","18:00:00",""
"4128597","7.9095","0.0003","12.5033","0.0005","16.0063","0.0006","90","","90","","90","","1582.94","0.11","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N O5 -","- C16 H18 Cl N O5 -","- C64 H72 Cl4 N4 O20 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.0434","0.0329","","","0.0729","0.0768","","","","","","1.015","","","","has coordinates","221677","2020-10-21","18:00:00",""
"4128598","8.4176","0.0004","16.5025","0.0009","25.2215","0.0014","90","","90","","90","","3503.6","0.3","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C160 H152 N8 O40 -","8","2","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0509","0.0454","","","0.106","0.109","","","","","","1.038","","","","has coordinates,has disorder","221678","2020-10-21","18:00:00",""
"4128599","7.7728","0.0004","10.0844","0.0004","19.1537","0.0009","90","","90","","90","","1501.34","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0259","0.0242","","","0.0633","0.0642","","","","","","1.028","","","","has coordinates","221679","2020-10-21","18:00:00",""
"4128600","7.9491","0.0005","12.798","0.0008","15.8009","0.0011","90","","90","","90","","1607.47","0.18","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O5 -","- C16 H18 Br N O5 -","- C64 H72 Br4 N4 O20 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.027","0.02","","","0.0487","0.0503","","","","","","1.026","","","","has coordinates","221681","2020-10-21","18:00:00",""
"4128601","7.8665","0.0005","20.7338","0.0014","10.0786","0.0006","90","","90.438","0.005","90","","1643.8","0.18","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O7 -","- C16 H18 N2 O7 -","- C64 H72 N8 O28 -","4","2","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0754","0.0479","","","0.1012","0.1111","","","","","","1.033","","","","has coordinates","221682","2020-10-21","18:00:00",""
"4128602","10.2919","0.0006","5.9783","0.0003","11.3506","0.0006","90","","98.101","0.004","90","","691.41","0.06","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O5 -","- C14 H17 N O5 -","- C28 H34 N2 O10 -","2","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0277","0.0261","","","0.0657","0.0666","","","","","","1.042","","","","has coordinates","221683","2020-10-21","18:00:00",""
"4128603","12.9997","0.0008","7.5607","0.0005","17.0068","0.0011","90","","111.408","0.002","90","","1556.22","0.17","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","2","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0287","0.0281","","","0.0742","0.0747","","","","","","1.029","","","","has coordinates","221684","2020-10-21","18:00:00",""
"4128604","8.0024","0.0004","8.9423","0.0004","11.7925","0.0006","90","","99.172","0.002","90","","833.08","0.07","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N O5 -","- C16 H18 Br N O5 -","- C32 H36 Br2 N2 O10 -","2","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.0319","0.0238","","","0.052","0.0538","","","","","","1.024","","","","has coordinates","221685","2020-10-21","18:00:00",""
"4128605","8.0194","0.0004","12.4357","0.0007","16.2639","0.0009","90","","90","","90","","1621.95","0.15","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0247","0.0243","","","0.0642","0.0646","","","","","","1.038","","","","has coordinates,has disorder","221686","2020-10-21","18:00:00",""
"4128606","10.1253","0.0004","16.2847","0.0007","34.7577","0.0014","90","","90","","90","","5731.1","0.4","130","2","130","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C59 H73 Cu F3 N2 O10 S -","- C59 H73 Cu F3 N2 O10 S -","- C236 H292 Cu4 F12 N8 O40 S4 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.0887","0.0537","","","0.1069","0.1157","","","","","","1.039","","","","has coordinates,has disorder","221687","2020-10-21","18:00:00",""
"4128607","21.5588","0.001","9.6915","0.0004","18.4478","0.0007","90","","111.05","0.002","90","","3597.2","0.3","135","2","135","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H20 Cl N O5 -","- C17 H20 Cl N O5 -","- C136 H160 Cl8 N8 O40 -","8","2","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.0706","0.0409","","","0.07","0.076","","","","","","1.026","","","","has coordinates,has disorder","221688","2020-10-21","18:00:00",""
"4128608","9.4138","0.0003","9.5283","0.0003","18.5945","0.0005","90","","90","","90","","1667.88","0.09","135","2","135","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0278","0.0263","","","0.0668","0.0679","","","","","","1.035","","","","has coordinates","221689","2020-10-21","18:00:00",""
"4128609","8.3697","0.0004","8.4872","0.0005","10.8138","0.0006","90","","93.883","0.002","90","","766.4","0.07","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0258","0.0253","","","0.0675","0.0681","","","","","","1.004","","","","has coordinates","221690","2020-10-21","18:00:00",""
"4128610","20.525","0.003","20.525","0.003","18.668","0.003","90","","90","","120","","6810.7","1.8","273","2","273","2","","","","","","","","7","P 6/m","-P 6","175","","","","- C102 H90 Br6 F6 N1.5 Np18 O78 -","- C51 Br2.4 F3 Np9 O39 -","- C102 Br4.8 F6 Np18 O78 -","2","0.166667","","Gilson, Sara E.; Li, Peng; Szymanowski, Jennifer E. S.; White, Jacob; Ray, Debmalya; Gagliardi, Laura; Farha, Omar K.; Burns, Peter C.","In Situ Formation of Unprecedented Neptunium-Oxide Wheel Clusters Stabilized in a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","30","11842","11846","10.1021/jacs.9b06187","","","0.71073","MoKα","","0.0926","0.0657","","","0.1739","0.198","","","","","","1.033","","","","has coordinates,has disorder","221691","2020-10-21","18:00:00",""
"4128611","20.835","0.013","20.835","0.013","18.453","0.012","90","","90","","120","","6937","8","273","2","273","2","","","","","","","","5","P 6/m","-P 6","175","","","","- C102 H90 F6 Np18 O78 -","- C102 H54 F6 Np18 O78 -","- C102 H54 F6 Np18 O78 -","1","0.0833333","","Gilson, Sara E.; Li, Peng; Szymanowski, Jennifer E. S.; White, Jacob; Ray, Debmalya; Gagliardi, Laura; Farha, Omar K.; Burns, Peter C.","In Situ Formation of Unprecedented Neptunium-Oxide Wheel Clusters Stabilized in a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","30","11842","11846","10.1021/jacs.9b06187","","","0.71073","MoKα","","0.0814","0.0686","","","0.1932","0.21","","","","","","0.944","","","","has coordinates","221692","2020-10-21","18:00:00",""
"4128612","20.719","0.006","20.719","0.006","18.477","0.005","90","","90","","120","","6869","3","273","2","273","2","","","","","","","","6","P 6/m","-P 6","175","","","","- C1.34 H1.18 F0.08 N0.04 Np0.24 O1.05 -","- C1.34211 H0.671053 F0.0789474 N0.0394737 Np0.236842 O1.10526 -","- C102 H51 F6 N3 Np18 O84 -","76","6.33333","","Gilson, Sara E.; Li, Peng; Szymanowski, Jennifer E. S.; White, Jacob; Ray, Debmalya; Gagliardi, Laura; Farha, Omar K.; Burns, Peter C.","In Situ Formation of Unprecedented Neptunium-Oxide Wheel Clusters Stabilized in a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","30","11842","11846","10.1021/jacs.9b06187","","","0.71073","MoKα","","0.0771","0.0738","","","0.2025","0.2057","","","","","","1.118","","","","has coordinates,has disorder","221693","2020-10-21","18:00:00",""
"4128613","10.7997","0.0004","18.2694","0.0006","16.827","0.0006","90","","90","","90","","3320","0.2","285","2","285.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C10 H28 Cl14 N4 Pb5 -","- C10 H28 Cl14 N4 Pb5 -","- C40 H112 Cl56 N16 Pb20 -","4","0.5","","Peng, Yu; Li, Lina; Ji, Chengmin; Wu, Zhenyue; Wang, Sasa; Liu, Xitao; Yao, Yunpeng; Luo, Junhua","Tailored Synthesis of an Unprecedented Pb-Mn Heterometallic Halide Hybrid with Enhanced Emission.","Journal of the American Chemical Society","2019","141","31","12197","12201","10.1021/jacs.9b04829","","","0.71073","MoKα","","0.0623","0.0451","","","0.0961","0.1039","","","","","","1.092","","","","has coordinates","221694","2020-10-21","18:00:00",""
"4128614","10.3435","0.0003","16.9247","0.0006","18.366","0.0007","90","","90","","90","","3215.16","0.19","200","2","200.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H28 Cl14 Mn N4 Pb4 -","- C10 H28 Cl14 Mn N4 Pb4 -","- C40 H112 Cl56 Mn4 N16 Pb16 -","4","1","","Peng, Yu; Li, Lina; Ji, Chengmin; Wu, Zhenyue; Wang, Sasa; Liu, Xitao; Yao, Yunpeng; Luo, Junhua","Tailored Synthesis of an Unprecedented Pb-Mn Heterometallic Halide Hybrid with Enhanced Emission.","Journal of the American Chemical Society","2019","141","31","12197","12201","10.1021/jacs.9b04829","","","0.71073","MoKα","","0.0576","0.0475","","","0.1145","0.1255","","","","","","1.014","","","","has coordinates","221695","2020-10-21","18:00:00",""
"4128615","12.1239","0.0008","13.1282","0.0009","14.4151","0.001","87.304","0.0009","75.4289","0.0009","76.0963","0.0009","2155.3","0.3","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H22 O3 -","- C16 H22 O3 -","- C96 H132 O18 -","6","3","","Thomas, William P.; Schatz, Devon J.; George, David T.; Pronin, Sergey V.","A Radical-Polar Crossover Annulation To Access Terpenoid Motifs.","Journal of the American Chemical Society","2019","141","31","12246","12250","10.1021/jacs.9b07346","","","0.71073","MoKα","","0.0882","0.0622","","","0.1582","0.1758","","","","","","1.023","","","","has coordinates,has disorder","221696","2020-10-21","18:00:00",""
"4128616","11.3869","0.0006","11.0755","0.0006","16.4649","0.0009","90","","106.017","0.0007","90","","1995.87","0.19","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 O6 -","- C21 H32 O6 -","- C84 H128 O24 -","4","1","","Thomas, William P.; Schatz, Devon J.; George, David T.; Pronin, Sergey V.","A Radical-Polar Crossover Annulation To Access Terpenoid Motifs.","Journal of the American Chemical Society","2019","141","31","12246","12250","10.1021/jacs.9b07346","","","0.71073","MoKα","","0.0433","0.0362","","","0.0946","0.1004","","","","","","1.032","","","","has coordinates","221697","2020-10-21","18:00:00",""
"4128617","6.1836","0.0004","31.5163","0.0019","15.3756","0.0009","90","","97.1381","0.0008","90","","2973.2","0.3","88","2","88","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H46 Cl2 O4 -","- C27 H46 Cl2 O4 -","- C108 H184 Cl8 O16 -","4","1","","Thomas, William P.; Schatz, Devon J.; George, David T.; Pronin, Sergey V.","A Radical-Polar Crossover Annulation To Access Terpenoid Motifs.","Journal of the American Chemical Society","2019","141","31","12246","12250","10.1021/jacs.9b07346","","","0.71073","MoKα","","0.0828","0.0621","","","0.1346","0.1438","","","","","","1.062","","","","has coordinates","221698","2020-10-21","18:00:00",""
"4128618","30.2467","0.0004","30.2467","0.0004","40.3458","0.0009","90","","90","","90","","36910.9","1.1","100.01","0.1","100.01","0.1","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","neiti17","","","- C108 H104 Br0.55 Cl1.45 Fe2 Mg N8 O4 P4 -","- C108 H104 Br0.554 Cl1.446 Fe2 Mg N8 O4 P4 -","- C864 H832 Br4.432 Cl11.568 Fe16 Mg8 N64 O32 P32 -","8","1","","Boddie, Theresa E.; Carpenter, Stephanie H.; Baker, Tessa M.; DeMuth, Joshua C.; Cera, Gianpiero; Brennessel, William W.; Ackermann, Lutz; Neidig, Michael L.","Identification and Reactivity of Cyclometalated Iron(II) Intermediates in Triazole-Directed Iron-Catalyzed C-H Activation.","Journal of the American Chemical Society","2019","141","31","12338","12345","10.1021/jacs.9b05269","","x-ray","1.54184","CuKα","","0.0925","0.0587","","","0.15","0.1745","","","","","","1.033","","","","has coordinates,has disorder","221699","2020-10-21","18:00:00",""
"4128619","18.1339","0.0018","10.2597","0.001","25.508","0.003","90","","103.062","0.002","90","","4622.9","0.8","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","neitw13","","","- C60 H52 Fe P2 -","- C60 H52 Fe P2 -","- C240 H208 Fe4 P8 -","4","1","","Boddie, Theresa E.; Carpenter, Stephanie H.; Baker, Tessa M.; DeMuth, Joshua C.; Cera, Gianpiero; Brennessel, William W.; Ackermann, Lutz; Neidig, Michael L.","Identification and Reactivity of Cyclometalated Iron(II) Intermediates in Triazole-Directed Iron-Catalyzed C-H Activation.","Journal of the American Chemical Society","2019","141","31","12338","12345","10.1021/jacs.9b05269","","","0.71073","MoKα","","0.1126","0.0527","","","0.1063","0.1296","","","","","","1.011","","","","has coordinates","221700","2020-10-21","18:00:00",""
"4128620","20.9654","0.0003","22.0142","0.0003","24.361","0.0002","105.257","0.001","98.223","0.001","116.486","0.001","9256.8","0.2","99.9","0.5","99.9","0.5","","","","","","","","9","P -1","-P 1","2","","","","- C146 H182 Br2.81 Cl1.19 Fe2 Mg3 N8 O13 P4 -","- C146 H182 Br2.806 Cl1.194 Fe2 Mg3 N8 O13 P4 -","- C292 H364 Br5.612 Cl2.388 Fe4 Mg6 N16 O26 P8 -","2","1","","Boddie, Theresa E.; Carpenter, Stephanie H.; Baker, Tessa M.; DeMuth, Joshua C.; Cera, Gianpiero; Brennessel, William W.; Ackermann, Lutz; Neidig, Michael L.","Identification and Reactivity of Cyclometalated Iron(II) Intermediates in Triazole-Directed Iron-Catalyzed C-H Activation.","Journal of the American Chemical Society","2019","141","31","12338","12345","10.1021/jacs.9b05269","","x-ray","1.54184","CuKα","","0.0744","0.0601","","","0.1702","0.1797","","","","","","1.106","","","","has coordinates,has disorder","221701","2020-10-21","18:00:00",""
"4128621","10.7125","0.0001","7.9053","0.0001","15.482","0.0001","90","","98.775","0.001","90","","1295.75","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","2","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0334","0.032","","","0.0847","0.0858","","","","","","1.076","","","","has coordinates","221702","2020-10-21","18:00:00",""
"4128622","6.9593","0.0001","7.4662","0.0001","24.7555","0.0002","90","","90","","90","","1286.28","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl N -","- C14 H16 Cl N -","- C56 H64 Cl4 N4 -","4","1","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0254","0.0249","","","0.0658","0.0661","","","","","","1.079","","","","has coordinates","221703","2020-10-21","18:00:00",""
"4128623","17.9521","0.0002","17.9521","0.0002","12.3975","0.0003","90","","90","","90","","3995.44","0.12","100","0.1","100","0.1","","","","","","","","5","P 41","P 4w","76","","2-bromo-3-(naphthalen-2-yl)pent-4-en-1-yl (4-bromophenyl)carbamate","","- C22 H19 Br2 N O2 -","- C22 H19 Br2 N O2 -","- C176 H152 Br16 N8 O16 -","8","2","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0646","0.0569","","","0.1482","0.1535","","","","","","1.072","","","","has coordinates","221704","2020-10-21","18:00:00",""
"4128624","5.55961","0.00005","8.2257","0.00005","13.5491","0.00008","90","","91.2759","0.0007","90","","619.47","0.008","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H14 N4 -","- C15 H14 N4 -","- C30 H28 N8 -","2","1","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0298","0.0293","","","0.0711","0.0717","","","","","","1.052","","","","has coordinates","221705","2020-10-21","18:00:00",""
"4128625","7.8468","0.0014","8.0192","0.0014","13.739","0.002","90","","95.361","0.004","90","","860.7","0.2","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 Cl N2 O4 -","- C18 H17 Cl N2 O4 -","- C36 H34 Cl2 N4 O8 -","2","1","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","0.71073","MoKα","","0.064","0.0388","","","0.0739","0.0816","","","","","","0.959","","","","has coordinates,has disorder","221706","2020-10-21","18:00:00",""
"4128626","6.2187","0.0002","7.2638","0.0002","27.5254","0.0007","90","","90","","90","","1243.36","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C52 H56 Cl4 N4 O4 -","4","1","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0729","0.0667","","","0.201","0.2104","","","","","","1.09","","","","has coordinates,has disorder","221707","2020-10-21","18:00:00",""
"4128627","5.8128","0.0004","8.5698","0.0006","13.4075","0.0011","83.978","0.006","88.299","0.007","88.26","0.006","663.66","0.09","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C15 H14 Cl2 O -","- C15 H14 Cl2 O -","- C30 H28 Cl4 O2 -","2","2","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0802","0.0712","","","0.1782","0.1845","","","","","","1.042","","","","has coordinates","221708","2020-10-21","18:00:00",""
"4128628","31.3149","0.0011","5.1903","0.0002","22.4457","0.0008","90","","129.034","0.002","90","","2833.8","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 B Cl2 N2 O -","- C13 H15 B Cl2 N2 O -","- C104 H120 B8 Cl16 N16 O8 -","8","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Facile Synthesis of α-N-Heterocyclic Carbene-Boryl Ketones from N-Heterocyclic Carbene-Boranes and Alkenyl Triflates.","Journal of the American Chemical Society","2019","141","31","12355","12361","10.1021/jacs.9b05547","","","1.54178","CuKα","","0.036","0.0326","","","0.1046","0.1083","","","","","","1.303","","","","has coordinates","221709","2020-10-21","18:00:00",""
"4128629","15.5286","0.0015","15.6454","0.0013","18.0654","0.0016","90","","90","","90","","4389","0.7","400","2","400","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.4 H6.2 Co N4 -","- C6.4 H5.15 Co N4 -","- C102.4 H82.4 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0923","0.0516","","","0.1227","0.1626","","","","","","1.094","","","","has coordinates,has disorder","221710","2020-10-21","18:00:00",""
"4128630","15.5088","0.0009","15.5888","0.0007","18.0871","0.0009","90","","90","","90","","4372.8","0.4","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.4 H6.2 Co N4 -","- C6.4 H5.15 Co N4 -","- C102.4 H82.4 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0708","0.0446","","","0.1232","0.1499","","","","","","1.133","","","","has coordinates,has disorder","221711","2020-10-21","18:00:00",""
"4128631","15.487","0.003","15.52","0.002","18.108","0.003","90","","90","","90","","4352.4","1.2","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C96 H96 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0482","0.0307","","","0.08","0.0922","","","","","","1.061","","","","has coordinates,has disorder","221712","2020-10-21","18:00:00",""
"4128632","15.2978","0.0007","15.4168","0.0008","18.1951","0.0008","90","","90","","90","","4291.2","0.4","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C96 H96 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0363","0.0261","","","0.0714","0.078","","","","","","1.079","","","","has coordinates,has disorder","221713","2020-10-21","18:00:00",""
"4128633","15.2069","0.0007","15.3558","0.0007","18.1389","0.0007","90","","90","","90","","4235.7","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.4 H6.2 Co N4 -","- C6.4 H5.4 Co N4 -","- C102.4 H86.4 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0563","0.0391","","","0.0969","0.1112","","","","","","1.109","","","","has coordinates,has disorder","221714","2020-10-21","18:00:00",""
"4128634","15.342","0.004","15.808","0.003","18.03","0.003","90","","90","","90","","4372.7","1.6","400","2","400","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7.2 H6.6 Co N4 -","- C7.2 H5.95 Co N4 -","- C115.2 H95.2 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0747","0.0432","","","0.1136","0.138","","","","","","1.046","","","","has coordinates,has disorder","221715","2020-10-21","18:00:00",""
"4128635","15.5146","0.0011","15.7585","0.001","18.0597","0.0011","90","","90","","90","","4415.4","0.5","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7.2 H6.6 Co N4 -","- C7.2 H5.95 Co N4 -","- C115.2 H95.2 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.075","0.0466","","","0.1388","0.174","","","","","","1.098","","","","has coordinates,has disorder","221716","2020-10-21","18:00:00",""
"4128636","23.4856","0.0011","23.4856","0.0011","12.4606","0.0006","90","","90","","90","","6872.9","0.6","300","2","300","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C192 H192 Co32 N128 -","32","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0698","0.0425","","","0.1102","0.1347","","","","","","1.046","","","","has coordinates","221717","2020-10-21","18:00:00",""
"4128637","15.4766","0.0013","15.6759","0.0012","18.0353","0.0015","90","","90","","90","","4375.5","0.6","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7.2 H6.6 Co N4 -","- C7.2 H6.2 Co N4 -","- C115.2 H99.2 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0641","0.0436","","","0.119","0.1419","","","","","","1.093","","","","has coordinates,has disorder","221718","2020-10-21","18:00:00",""
"4128638","15.3978","0.0004","15.3546","0.0005","18.1591","0.0005","90","","90","","90","","4293.3","0.2","100","0.4","100","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.48 H5.98 N4 Zn -","- C6.48 H5.98 N4 Zn -","- C103.68 H95.68 N64 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0523","0.0457","","","0.1197","0.125","","","","","","1.112","","","","has coordinates,has disorder","221719","2020-10-21","18:00:00",""
"4128639","23.549","0.005","23.549","0.005","12.446","0.002","90","","90","","90","","6902","2","400","2","400","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C192 H192 Co32 N128 -","32","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0903","0.0411","","","0.1071","0.1359","","","","","","0.961","","","","has coordinates","221720","2020-10-21","18:00:00",""
"4128640","23.4363","0.0006","23.4363","0.0006","12.4615","0.0003","90","","90","","90","","6844.6","0.3","200","2","200","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C192 H192 Co32 N128 -","32","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0579","0.0396","","","0.102","0.1192","","","","","","1.028","","","","has coordinates","221721","2020-10-21","18:00:00",""
"4128641","15.4409","0.0006","15.0978","0.0008","18.2903","0.0009","90","","90","","90","","4263.9","0.4","100","0.4","100","0.4","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.62 H9.12 N4.5 O0.5 Zn -","- C7.62 H9.12 N4.5 O0.5 Zn -","- C121.92 H145.92 N72 O8 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0603","0.0393","","","0.0919","0.1091","","","","","","1.119","","","","has coordinates,has disorder","221722","2020-10-21","18:00:00",""
"4128642","15.1566","0.0012","15.6776","0.0007","18.2216","0.0015","90","","90","","90","","4329.8","0.5","100.1","0.5","100.1","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.9 H9.7 Co N4.5 O0.5 -","- C7.9 H9.7 Co N4.5 O0.5 -","- C126.4 H155.2 Co16 N72 O8 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.1087","0.0687","","","0.1647","0.1919","","","","","","1.112","","","","has coordinates,has disorder","221723","2020-10-21","18:00:00",""
"4128643","15.403","0.0006","15.504","0.0006","18.1233","0.0007","90","","90","","90","","4328","0.3","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.4 H6.2 Co N4 -","- C6.4 H5.4 Co N4 -","- C102.4 H86.4 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0492","0.0323","","","0.0823","0.0945","","","","","","1.098","","","","has coordinates,has disorder","221724","2020-10-21","18:00:00",""
"4128644","15.0835","0.0007","15.2881","0.0007","18.2031","0.0008","90","","90","","90","","4197.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C96 H96 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0357","0.0276","","","0.0654","0.0706","","","","","","1.043","","","","has coordinates,has disorder","221725","2020-10-21","18:00:00",""
"4128645","15.4686","0.0007","15.1468","0.0012","18.2938","0.001","90","","90","","90","","4286.2","0.5","99.9","0.3","99.9","0.3","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.78 H9.28 N4.5 O0.5 Zn -","- C7.78 H9.28 N4.5 O0.5 Zn -","- C124.48 H148.48 N72 O8 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0697","0.0434","","","0.1026","0.119","","","","","","1.049","","","","has coordinates,has disorder","221726","2020-10-21","18:00:00",""
"4128646","15.4872","0.0007","15.0774","0.0011","18.3105","0.0008","90","","90","","90","","4275.6","0.4","100","0.2","100","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.7 H9.2 N4.5 O0.5 Zn -","- C7.7 H9.2 N4.5 O0.5 Zn -","- C123.2 H147.2 N72 O8 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0591","0.0374","","","0.0888","0.1015","","","","","","1.053","","","","has coordinates,has disorder","221727","2020-10-21","18:00:00",""
"4128647","15.4061","0.0008","15.281","0.0011","18.2918","0.0014","90","","90","","90","","4306.3","0.5","100","0.5","100","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.58 H9.54 N4.5 O0.62 Zn -","- C7.58 H9.54 N4.5 O0.625 Zn -","- C121.28 H152.64 N72 O10 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0655","0.0419","","","0.0997","0.1149","","","","","","1.042","","","","has coordinates,has disorder","221728","2020-10-21","18:00:00",""
"4128648","15.4399","0.0004","15.4843","0.0006","18.1529","0.0006","90","","90","","90","","4339.9","0.2","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.68 H6.18 N4 Zn -","- C6.68 H6.18 N4 Zn -","- C106.88 H98.88 N64 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0628","0.0516","","","0.1286","0.1346","","","","","","1.109","","","","has coordinates,has disorder","221729","2020-10-21","18:00:00",""
"4128649","15.282","0.002","15.664","0.002","18.179","0.002","90","","90","","90","","4351.6","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.73 H8.79 Co N4.35 O0.35 -","- C7.73 H8.79 Co N4.35 O0.35 -","- C123.68 H140.64 Co16 N69.6 O5.6 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0552","0.0494","","","0.1463","0.1541","","","","","","1.102","","","","has coordinates,has disorder","221730","2020-10-21","18:00:00",""
"4128650","15.386","0.0007","15.6096","0.0007","18.0571","0.0007","90","","90","","90","","4336.8","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7.2 H6.6 Co N4 -","- C7.2 H6.2 Co N4 -","- C115.2 H99.2 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0602","0.0432","","","0.1155","0.1321","","","","","","1.159","","","","has coordinates,has disorder","221731","2020-10-21","18:00:00",""
"4128651","15.4724","0.0007","15.5973","0.0011","18.1477","0.0008","90","","90","","90","","4379.5","0.4","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.96 H6.46 N4 Zn -","- C6.96 H6.46 N4 Zn -","- C111.36 H103.36 N64 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0671","0.0519","","","0.1301","0.1379","","","","","","1.07","","","","has coordinates,has disorder","221732","2020-10-21","18:00:00",""
"4128652","15.591","0.005","15.606","0.004","18.103","0.005","90","","90","","90","","4405","2","400","2","400","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C96 H96 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.071","0.0372","","","0.0993","0.1238","","","","","","1.042","","","","has coordinates,has disorder","221733","2020-10-21","18:00:00",""
"4128653","23.3963","0.0006","23.3963","0.0006","12.4649","0.0003","90","","90","","90","","6823.1","0.3","100","2","100","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C192 H192 Co32 N128 -","32","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0225","0.0204","","","0.0533","0.0577","","","","","","1.123","","","","has coordinates","221734","2020-10-21","18:00:00",""
"4128654","11.3638","0.0012","12.3409","0.0013","15.7074","0.0017","70.623","0.001","88.773","0.001","86.769","0.001","2074.7","0.4","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H47 Cl2 N5 O3 S2 -","- C42 H47 Cl2 N5 O3 S2 -","- C84 H94 Cl4 N10 O6 S4 -","2","1","","Satoh, Yoshiyuki; Catti, Lorenzo; Akita, Munetaka; Yoshizawa, Michito","A Redox-Active Heterocyclic Capsule: Radical Generation, Oxygenation, and Guest Uptake/Release.","Journal of the American Chemical Society","2019","141","31","12268","12273","10.1021/jacs.9b03419","","","0.71073","MoKα","","0.0409","0.0367","","","0.102","0.1053","","","","","","0.999","","","","has coordinates","221735","2020-10-21","18:00:00",""
"4128655","21.6317","0.001","12.2815","0.0005","21.6273","0.001","90","","119.975","0.002","90","","4977.2","0.4","100","2","100","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C88.5 H45.2 O36 Zr6 -","- C88.544 H45.184 O35.9964 Zr5.9994 -","- C88.544 H45.184 O35.9964 Zr5.9994 -","1","0.25","","Chen, Zhijie; Li, Penghao; Wang, Xingjie; Otake, Ken-Ichi; Zhang, Xuan; Robison, Lee; Atilgan, Ahmet; Islamoglu, Timur; Hall, Morgan G.; Peterson, Gregory W.; Stoddart, J. Fraser; Farha, Omar K.","Ligand-Directed Reticular Synthesis of Catalytically Active Missing Zirconium-Based Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","31","12229","12235","10.1021/jacs.9b06179","","","1.54178","CuKα","","0.1602","0.1328","","","0.3947","0.4298","","","","","","1.748","","","","has coordinates,has disorder","221736","2020-10-21","18:00:00",""
"4128656","31.678","0.008","19.591","0.004","31.774","0.01","90","","119.631","0.015","90","","17140","8","275","2","275","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C220 H112 O36 Zr6 -","- C220 H112 O35.9964 Zr5.9994 -","- C220 H112 O35.9964 Zr5.9994 -","1","0.25","","Chen, Zhijie; Li, Penghao; Wang, Xingjie; Otake, Ken-Ichi; Zhang, Xuan; Robison, Lee; Atilgan, Ahmet; Islamoglu, Timur; Hall, Morgan G.; Peterson, Gregory W.; Stoddart, J. Fraser; Farha, Omar K.","Ligand-Directed Reticular Synthesis of Catalytically Active Missing Zirconium-Based Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","31","12229","12235","10.1021/jacs.9b06179","","","1.54178","CuKα","","0.186","0.1327","","","0.3651","0.4351","","","","","","1.541","","","","has coordinates,has disorder","221737","2020-10-21","18:00:00",""
"4128657","28.13","0.003","16.7348","0.0018","28.174","0.003","90","","120.036","0.004","90","","11482","2","275","2","275","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C198 H114 O36 Zr6 -","- C198 H114 O35.997 Zr5.9994 -","- C198 H114 O35.997 Zr5.9994 -","1","0.25","","Chen, Zhijie; Li, Penghao; Wang, Xingjie; Otake, Ken-Ichi; Zhang, Xuan; Robison, Lee; Atilgan, Ahmet; Islamoglu, Timur; Hall, Morgan G.; Peterson, Gregory W.; Stoddart, J. Fraser; Farha, Omar K.","Ligand-Directed Reticular Synthesis of Catalytically Active Missing Zirconium-Based Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","31","12229","12235","10.1021/jacs.9b06179","","","0.71073","MoKα","","0.1876","0.1259","","","0.341","0.3909","","","","","","1.255","","","","has coordinates,has disorder","221738","2020-10-21","18:00:00",""
"4128658","31.4603","0.0019","15.0357","0.0009","20.4599","0.001","90","","104.239","0.004","90","","9380.8","0.9","100","2","100.01","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C87 H74 F24 N10 O P4 -","- C87 H74 F24 N10 O P4 -","- C348 H296 F96 N40 O4 P16 -","4","1","","Roy, Indranil; Bobbala, Sharan; Young, Ryan M.; Beldjoudi, Yassine; Nguyen, Minh T.; Cetin, M. Mustafa; Cooper, James A.; Allen, Sean; Anamimoghadam, Ommid; Scott, Evan A.; Wasielewski, Michael R.; Stoddart, J. Fraser","A Supramolecular Approach for Modulated Photoprotection, Lysosomal Delivery, and Photodynamic Activity of a Photosensitizer.","Journal of the American Chemical Society","2019","141","31","12296","12304","10.1021/jacs.9b03990","","","1.54178","CuKα","","0.1122","0.0925","","","0.2636","0.2865","","","","","","1.038","","","","has coordinates,has disorder","221739","2020-10-21","18:00:00",""
"4128659","27.4401","0.0011","7.2038","0.0003","15.7216","0.0006","90","","90","","90","","3107.7","0.2","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H20 B N O2 -","- C17 H20 B N O2 -","- C136 H160 B8 N8 O16 -","8","2","","Rochette, Étienne; Desrosiers, Vincent; Soltani, Yashar; Fontaine, Frédéric-Georges","Isodesmic C-H Borylation: Perspectives and Proof of Concept of Transfer Borylation Catalysis.","Journal of the American Chemical Society","2019","141","31","12305","12311","10.1021/jacs.9b04305","","x-ray","1.34139","GaKα","","0.0969","0.0964","","","0.245","0.2458","","","","","","1.087","","","","has coordinates","221740","2020-10-21","18:00:00",""
"4128660","17.253","0.012","15.242","0.011","18.394","0.013","90","","103.363","0.012","90","","4706","6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Cl3 N S Si -","- C16 H36 Cl3 N S Si -","- C128 H288 Cl24 N8 S8 Si8 -","8","2","","Geeson, Michael B.; Ríos, Pablo; Transue, Wesley J.; Cummins, Christopher C.","Orthophosphate and Sulfate Utilization for C-E (E = P, S) Bond Formation via Trichlorosilyl Phosphide and Sulfide Anions.","Journal of the American Chemical Society","2019","141","15","6375","6384","10.1021/jacs.9b01475","","","0.71073","MoKα","","0.0778","0.0582","","","0.1436","0.158","","","","","","1.032","","","","has coordinates,has disorder","221741","2020-10-21","18:00:00",""
"4128661","13.1805","0.0017","18.929","0.002","19.042","0.002","90","","90","","90","","4750.9","0.9","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C16 H36 N O9 P3 Si0.5 -","- C16 H36 N O9 P3 Si0.5 -","- C128 H288 N8 O72 P24 Si4 -","8","1","","Geeson, Michael B.; Ríos, Pablo; Transue, Wesley J.; Cummins, Christopher C.","Orthophosphate and Sulfate Utilization for C-E (E = P, S) Bond Formation via Trichlorosilyl Phosphide and Sulfide Anions.","Journal of the American Chemical Society","2019","141","15","6375","6384","10.1021/jacs.9b01475","","","0.71073","MoKα","","0.0801","0.043","","","0.089","0.1027","","","","","","1.021","","","","has coordinates","221742","2020-10-21","18:00:00",""
"4128662","7.755","0.002","26.43","0.006","22.349","0.005","90","","90","","90","","4580.8","1.9","150","2","150","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C51 H35 B3 F20 -","- C51 H35 B3 F20 -","- C204 H140 B12 F80 -","4","0.5","","Bamford, Karlee L.; Qu, Zheng-Wang; Stephan, Douglas W.","Activation of H<sub>2</sub> and Et<sub>3</sub>SiH by the Borinium Cation [Mes<sub>2</sub>B]<sup>+</sup>: Avenues to Cations [MesB(μ-H)<sub>2</sub>(μ-Mes)BMes]<sup>+</sup> and [H<sub>2</sub>B(μ-H)(μ-Mes)B(μ-Mes)(μ-H)BH<sub>2</sub>]<sup/>.","Journal of the American Chemical Society","2019","141","15","6180","6184","10.1021/jacs.9b02510","","","0.71073","MoKα","","0.0878","0.0415","","","0.0671","0.0791","","","","","","1.017","","","","has coordinates","221743","2020-10-21","18:00:00",""
"4128663","16.7541","0.0018","20.7321","0.0017","26.318","0.003","90","","90","","90","","9141.5","1.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H32 B4 F22 -","- C48 H32 B4 F22 -","- C384 H256 B32 F176 -","8","1","","Bamford, Karlee L.; Qu, Zheng-Wang; Stephan, Douglas W.","Activation of H<sub>2</sub> and Et<sub>3</sub>SiH by the Borinium Cation [Mes<sub>2</sub>B]<sup>+</sup>: Avenues to Cations [MesB(μ-H)<sub>2</sub>(μ-Mes)BMes]<sup>+</sup> and [H<sub>2</sub>B(μ-H)(μ-Mes)B(μ-Mes)(μ-H)BH<sub>2</sub>]<sup/>.","Journal of the American Chemical Society","2019","141","15","6180","6184","10.1021/jacs.9b02510","","","0.71073","MoKα","","0.0938","0.0535","","","0.1479","0.1862","","","","","","1.065","","","","has coordinates,has disorder","221744","2020-10-21","18:00:00",""
"4128664","11.5182","0.0003","12.6576","0.0004","12.8574","0.0004","79.166","0.002","83.628","0.002","83.716","0.002","1822.18","0.09","128","20","128","20","","","","","","","","6","P 1","P 1","1","","","","- C66 H56 Br4 Fe2 N4 O6 -","- C66 H56 Br4 Fe2 N4 O6 -","- C66 H56 Br4 Fe2 N4 O6 -","1","1","","Lu, Ran; Cao, Liya; Guan, Honghao; Liu, Lei","Iron-Catalyzed Aerobic Dehydrogenative Kinetic Resolution of Cyclic Secondary Amines.","Journal of the American Chemical Society","2019","141","15","6318","6324","10.1021/jacs.9b00615","","x-ray","1.54184","CuKα","","0.0662","0.0607","","","0.1715","0.1808","","","","","","1.086","","","","has coordinates","221745","2020-10-21","18:00:00",""
"4128665","11.3961","0.0008","12.6727","0.0009","12.8895","0.001","80.061","0.006","84.9","0.006","84.005","0.006","1818.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 1","P 1","1","","","","- C70 H71 Br4 Fe2 N11 O6 -","- C70 H71 Br4 Fe2 N11 O6 -","- C70 H71 Br4 Fe2 N11 O6 -","1","1","","Lu, Ran; Cao, Liya; Guan, Honghao; Liu, Lei","Iron-Catalyzed Aerobic Dehydrogenative Kinetic Resolution of Cyclic Secondary Amines.","Journal of the American Chemical Society","2019","141","15","6318","6324","10.1021/jacs.9b00615","","x-ray","1.54184","CuKα","","0.0483","0.0469","","","0.1266","0.1283","","","","","","1.072","","","","has coordinates","221746","2020-10-21","18:00:00",""
"4128666","13.2294","0.0001","7.4619","0.0001","14.9668","0.0001","90","","110.554","0.001","90","","1383.42","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H15 N -","- C18 H15 N -","- C72 H60 N4 -","4","2","","Lu, Fu-Dong; Liu, Dan; Zhu, Lei; Lu, Liang-Qiu; Yang, Qian; Zhou, Quan-Quan; Wei, Yi; Lan, Yu; Xiao, Wen-Jing","Asymmetric Propargylic Radical Cyanation Enabled by Dual Organophotoredox and Copper Catalysis.","Journal of the American Chemical Society","2019","141","15","6167","6172","10.1021/jacs.9b02338","","x-ray","1.54184","CuKα","","0.0344","0.0341","","","0.0918","0.0921","","","","","","1.042","","","","has coordinates","221747","2020-10-21","18:00:00",""
"4128667","11.7362","0.0019","15.51","0.002","12.1799","0.0019","90","","98.288","0.002","90","","2193.9","0.6","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 N O2 Pt S -","- C28 H19 N O2 Pt S -","- C112 H76 N4 O8 Pt4 S4 -","4","1","","Sun, Meng-Jia; Liu, Yingying; Zeng, Wei; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","Photoluminescent Anisotropy Amplification in Polymorphic Organic Nanocrystals by Light-Harvesting Energy Transfer.","Journal of the American Chemical Society","2019","141","15","6157","6161","10.1021/jacs.9b02055","","","0.71073","MoKα","","0.0348","0.0337","","","0.0838","0.0846","","","","","","1.142","","","","has coordinates","221748","2020-10-21","18:00:00",""
"4128668","9.3194","0.0002","10.2399","0.0002","12.4624","0.0003","76.398","0.002","84.63","0.002","69.717","0.002","1084.16","0.04","169.99","0.1","169.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 F2 N O2 Pt -","- C27 H19 F2 N O2 Pt -","- C54 H38 F4 N2 O4 Pt2 -","2","1","","Sun, Meng-Jia; Liu, Yingying; Zeng, Wei; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","Photoluminescent Anisotropy Amplification in Polymorphic Organic Nanocrystals by Light-Harvesting Energy Transfer.","Journal of the American Chemical Society","2019","141","15","6157","6161","10.1021/jacs.9b02055","","x-ray","1.54178","CuKα","","0.0334","0.0291","","","0.0766","0.0791","","","","","","1.048","","","","has coordinates","221749","2020-10-21","18:00:00",""
"4128669","14.468","0.003","7.3753","0.0015","20.436","0.004","90","","101.48","0.03","90","","2137","0.8","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 F2 N O2 Pt -","- C27 H19 F2 N O2 Pt -","- C108 H76 F8 N4 O8 Pt4 -","4","1","","Sun, Meng-Jia; Liu, Yingying; Zeng, Wei; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","Photoluminescent Anisotropy Amplification in Polymorphic Organic Nanocrystals by Light-Harvesting Energy Transfer.","Journal of the American Chemical Society","2019","141","15","6157","6161","10.1021/jacs.9b02055","","","0.71073","MoKα","","0.0729","0.0627","","","0.1133","0.1186","","","","","","1.132","","","","has coordinates","221750","2020-10-21","18:00:00",""
"4128670","14.4681","0.0002","7.3806","0.0001","20.4113","0.0003","90","","101.399","0.001","90","","2136.59","0.05","169.99","0.11","169.99","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 F2 N O2 Pt -","- C27 H19 F2 N O2 Pt -","- C108 H76 F8 N4 O8 Pt4 -","4","1","","Sun, Meng-Jia; Liu, Yingying; Zeng, Wei; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","Photoluminescent Anisotropy Amplification in Polymorphic Organic Nanocrystals by Light-Harvesting Energy Transfer.","Journal of the American Chemical Society","2019","141","15","6157","6161","10.1021/jacs.9b02055","","x-ray","1.54178","CuKα","","0.0309","0.0249","","","0.0629","0.0648","","","","","","1.103","","","","has coordinates","221751","2020-10-21","18:00:00",""
"4128671","9.3111","0.0002","10.2403","0.0002","12.4557","0.0003","76.428","0.002","84.596","0.002","69.771","0.002","1083.15","0.04","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 F2 N O2 Pt -","- C27 H19 F2 N O2 Pt -","- C54 H38 F4 N2 O4 Pt2 -","2","1","","Sun, Meng-Jia; Liu, Yingying; Zeng, Wei; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","Photoluminescent Anisotropy Amplification in Polymorphic Organic Nanocrystals by Light-Harvesting Energy Transfer.","Journal of the American Chemical Society","2019","141","15","6157","6161","10.1021/jacs.9b02055","","","0.71073","MoKα","","0.0237","0.0218","","","0.0492","0.0502","","","","","","1.058","","","","has coordinates","221752","2020-10-21","18:00:00",""
"4128672","8.322","0.002","17.969","0.004","18.785","0.004","90","","93.483","0.004","90","","2803.9","1.1","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C120 H160 N16 O24 -","8","2","","Zhu, Jie S.; Li, Clarabella J.; Tsui, Ka Yi; Kraemer, Niklas; Son, Jung-Ho; Haddadin, Makhluf J.; Tantillo, Dean J.; Kurth, Mark J.","Accessing Multiple Classes of 2 H-Indazoles: Mechanistic Implications for the Cadogan and Davis-Beirut Reactions.","Journal of the American Chemical Society","2019","141","15","6247","6253","10.1021/jacs.8b13481","","","0.71073","MoKα","","0.077","0.0593","","","0.1819","0.2312","","","","","","1.061","","","","has coordinates","221753","2020-10-21","18:00:00",""
"4128673","10.5923","0.0009","11.7189","0.001","18.6587","0.0017","97.374","0.002","90.086","0.002","99.864","0.002","2262.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C104 H128 N16 O8 -","8","4","","Zhu, Jie S.; Li, Clarabella J.; Tsui, Ka Yi; Kraemer, Niklas; Son, Jung-Ho; Haddadin, Makhluf J.; Tantillo, Dean J.; Kurth, Mark J.","Accessing Multiple Classes of 2 H-Indazoles: Mechanistic Implications for the Cadogan and Davis-Beirut Reactions.","Journal of the American Chemical Society","2019","141","15","6247","6253","10.1021/jacs.8b13481","","","0.71073","MoKα","","0.0616","0.045","","","0.0768","0.0797","","","","","","1.743","","","","has coordinates","221754","2020-10-21","18:00:00",""
"4128674","6.1799","0.0009","8.3702","0.0013","9.1069","0.0014","90","","106.537","0.002","90","","451.59","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C20 H24 N4 O2 -","2","1","","Zhu, Jie S.; Li, Clarabella J.; Tsui, Ka Yi; Kraemer, Niklas; Son, Jung-Ho; Haddadin, Makhluf J.; Tantillo, Dean J.; Kurth, Mark J.","Accessing Multiple Classes of 2 H-Indazoles: Mechanistic Implications for the Cadogan and Davis-Beirut Reactions.","Journal of the American Chemical Society","2019","141","15","6247","6253","10.1021/jacs.8b13481","","","0.71073","MoKα","","0.0382","0.0381","","","0.0983","0.0984","","","","","","1.262","","","","has coordinates","221755","2020-10-21","18:00:00",""
"4128675","8.8193","0.0011","10.9345","0.0012","11.7593","0.0012","95.837","0.004","91.786","0.004","109.762","0.003","1059.1","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 Br2 -","- C30 H20 Br2 -","- C60 H40 Br4 -","2","1","","Zou, Ya; Zeng, Wangdong; Gopalakrishna, Tullimilli Y.; Han, Yi; Jiang, Qing; Wu, Jishan","Dicyclopenta[4,3,2,1- ghi:4',3',2',1'- pqr]perylene: A Bowl-Shaped Fragment of Fullerene C<sub>70</sub> with Global Antiaromaticity.","Journal of the American Chemical Society","2019","141","18","7266","7270","10.1021/jacs.9b03169","","","0.71073","MoKα","","0.0278","0.0225","","","0.0537","0.0556","","","","","","1.072","","","","has coordinates","221756","2020-10-21","18:00:00",""
"4128676","21.6386","0.0015","15.0626","0.001","22.67","0.0016","90","","117.681","0.003","90","","6543.2","0.8","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C45.33 H46.67 -","- C45.3333 H46.6667 -","- C272 H280 -","6","1.5","","Zou, Ya; Zeng, Wangdong; Gopalakrishna, Tullimilli Y.; Han, Yi; Jiang, Qing; Wu, Jishan","Dicyclopenta[4,3,2,1- ghi:4',3',2',1'- pqr]perylene: A Bowl-Shaped Fragment of Fullerene C<sub>70</sub> with Global Antiaromaticity.","Journal of the American Chemical Society","2019","141","18","7266","7270","10.1021/jacs.9b03169","","","1.54178","CuKα","","0.0545","0.0493","","","0.1493","0.1581","","","","","","0.876","","","","has coordinates,has disorder","221757","2020-10-21","18:00:00",""
"4128677","12.265","0.002","24.523","0.005","22.176","0.006","90","","121.94","0.02","90","","5660","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H51 Cl8 Ir O P4 -","- C55 H51 Cl8 Ir O P4 -","- C220 H204 Cl32 Ir4 O4 P16 -","4","1","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.1044","0.0693","","","0.1415","0.1575","","","","","","1.017","","","","has coordinates","221758","2020-10-21","18:00:00",""
"4128678","23.3229","0.0007","16.5703","0.0005","25.209","0.0007","90","","90","","90","","9742.5","0.5","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C52 H48 B Br Cl3 Ir O P4 -","- C52 H48 B Br Cl3 Ir O P4 -","- C416 H384 B8 Br8 Cl24 Ir8 O8 P32 -","8","1","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.075","0.0522","","","0.1311","0.1492","","","","","","1.159","","","","has coordinates","221759","2020-10-21","18:00:00",""
"4128679","10.6032","0.0017","11.7641","0.0018","12.732","0.003","97.86","0.007","109.324","0.007","107.162","0.005","1382.7","0.5","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H30 Cl2 Ir N O P2 -","- C29 H30 Cl2 Ir N O P2 -","- C58 H60 Cl4 Ir2 N2 O2 P4 -","2","1","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.014","0.0132","","","0.0332","0.0335","","","","","","1.038","","","","has coordinates","221760","2020-10-21","18:00:00",""
"4128680","41.384","0.003","12.1155","0.0007","32.3933","0.0019","90","","109.788","0.002","90","","15282.6","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C156.4 H138.8 Cl11.8 Ir3 O3 P12 -","- C156.4 H138.8 Cl11.8 Ir3 O3 P12 -","- C625.6 H555.2 Cl47.2 Ir12 O12 P48 -","4","0.5","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.0738","0.0685","","","0.1909","0.1939","","","","","","1.185","","","","has coordinates,has disorder","221761","2020-10-21","18:00:00",""
"4128681","14.0605","0.0006","14.4113","0.0006","19.6677","0.0009","88.181","0.002","79.515","0.002","63.887","0.001","3513.5","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H33 Cl4 Ir N2 O P2 -","- C33 H33 Cl4 Ir N2 O P2 -","- C132 H132 Cl16 Ir4 N8 O4 P8 -","4","2","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.0324","0.0248","","","0.0497","0.0519","","","","","","1.033","","","","has coordinates","221762","2020-10-21","18:00:00",""
"4128682","15.2943","0.001","16.0822","0.001","17.6097","0.0012","108.002","0.002","92.021","0.002","109.271","0.0019","3842.8","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","lmcdp233","","","- C32 H27 Cl Ir N O P2 -","- C32 H27 Cl Ir N O P2 -","- C128 H108 Cl4 Ir4 N4 O4 P8 -","4","4","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.0732","0.0563","","","0.131","0.1421","","","","","","1.046","","","","has coordinates,has disorder","221763","2020-10-21","18:00:00",""
"4128683","9.6658","0.0004","14.2713","0.0007","14.767","0.0007","107.989","0.002","96.128","0.002","104.806","0.002","1834.52","0.15","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C41.75 H38 Cl Ir O P2 -","- C41.75 H38 Cl Ir O P2 -","- C83.5 H76 Cl2 Ir2 O2 P4 -","2","1","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.0312","0.0273","","","0.0662","0.068","","","","","","1.061","","","","has coordinates,has disorder","221764","2020-10-21","18:00:00",""
"4128684","45.122","0.006","45.122","0.006","49.238","0.01","90","","90","","120","","86818","2","173","2","173","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C182.67 H102 O60 P3 Zr9 -","- C183 H102 O60 P3 Zr9 -","- C1098 H612 O360 P18 Zr54 -","6","1","","Gong, Wei; Chen, Xu; Jiang, Hong; Chu, Dandan; Cui, Yong; Liu, Yan","Highly Stable Zr(IV)-Based Metal-Organic Frameworks with Chiral Phosphoric Acids for Catalytic Asymmetric Tandem Reactions.","Journal of the American Chemical Society","2019","141","18","7498","7508","10.1021/jacs.9b02294","","","0.71073","MoKα","","0.1213","0.0872","","","0.2634","0.2897","","","","","","0.964","","","","has coordinates","221765","2020-10-21","18:00:00",""
"4128685","38.1622","0.0009","38.1622","0.0009","45.5859","0.0015","90","","90","","120","","57495","3","173","2","173","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C135 H78 O60 P3 Zr9 -","- C135 H78 O60 P3 Zr9 -","- C810 H468 O360 P18 Zr54 -","6","0.5","","Gong, Wei; Chen, Xu; Jiang, Hong; Chu, Dandan; Cui, Yong; Liu, Yan","Highly Stable Zr(IV)-Based Metal-Organic Frameworks with Chiral Phosphoric Acids for Catalytic Asymmetric Tandem Reactions.","Journal of the American Chemical Society","2019","141","18","7498","7508","10.1021/jacs.9b02294","","","1.54178","CuKα","","0.1096","0.0755","","","0.1676","0.1797","","","","","","1.026","","","","has coordinates","221766","2020-10-21","18:00:00",""
"4128686","6.2029","0.0001","8.504","0.0001","16.5123","0.0002","90","","97.283","0.001","90","","863.99","0.02","290","2","290","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H18 F N O2 S -","- C20 H18 F N O2 S -","- C40 H36 F2 N2 O4 S2 -","2","1","","Xu, Meng-Yu; Jiang, Wei-Tao; Li, Ying; Xu, Qing-Hao; Zhou, Qiao-Lan; Yang, Shuo; Xiao, Bin","Alkyl Carbagermatranes Enable Practical Palladium-Catalyzed sp<sup>2</sup>-sp<sup>3</sup> Cross-Coupling.","Journal of the American Chemical Society","2019","141","18","7582","7588","10.1021/jacs.9b02776","","","1.54184","CuKα","","0.0561","0.055","","","0.1561","0.158","","","","","","1.062","","","","has coordinates,has disorder","221767","2020-10-21","18:00:00",""
"4128687","7.3844","0.0001","11.767","0.0003","24.0742","0.0005","90","","90","","90","","2091.86","0.07","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 F Ge N -","- C23 H30 F Ge N -","- C92 H120 F4 Ge4 N4 -","4","1","","Xu, Meng-Yu; Jiang, Wei-Tao; Li, Ying; Xu, Qing-Hao; Zhou, Qiao-Lan; Yang, Shuo; Xiao, Bin","Alkyl Carbagermatranes Enable Practical Palladium-Catalyzed sp<sup>2</sup>-sp<sup>3</sup> Cross-Coupling.","Journal of the American Chemical Society","2019","141","18","7582","7588","10.1021/jacs.9b02776","","","1.54184","CuKα","","0.0444","0.0398","","","0.0976","0.1015","","","","","","1.053","","","","has coordinates","221768","2020-10-21","18:00:00",""
"4128688","8.5255","0.0006","10.9187","0.0009","26.122","0.003","90","","90","","90","","2431.6","0.4","295.6","0.2","295.6","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N O3 S -","- C28 H29 N O3 S -","- C112 H116 N4 O12 S4 -","4","1","","Tian, Zhi-Xiong; Qiao, Jin-Bao; Xu, Guang-Li; Pang, Xiaobo; Qi, Liangliang; Ma, Wei-Yuan; Zhao, Zhen-Zhen; Duan, Jicheng; Du, Yun-Fei; Su, Peifeng; Liu, Xue-Yuan; Shu, Xing-Zhong","Highly Enantioselective Cross-Electrophile Aryl-Alkenylation of Unactivated Alkenes.","Journal of the American Chemical Society","2019","141","18","7637","7643","10.1021/jacs.9b03863","","","1.54184","CuKα","","0.1101","0.073","","","0.1894","0.2606","","","","","","1.121","","","","has coordinates","221769","2020-10-21","18:00:00",""
"4128689","14.638","0.003","21.545","0.005","21.633","0.005","115.86","0.03","91.04","0.02","101.68","0.02","5968","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C149 H121.5 Cl7.5 N2 O8 -","- C148.994 H121.495 Cl7.499 N2 O8 -","- C297.988 H242.99 Cl14.998 N4 O16 -","2","1","","Senthilkumar, Kabali; Kondratowicz, Mateusz; Lis, Tadeusz; Chmielewski, Piotr J.; Cybińska, Joanna; Zafra, José L; Casado, Juan; Vives, Thomas; Crassous, Jeanne; Favereau, Ludovic; Stępień, Marcin","Lemniscular [16]Cycloparaphenylene: A Radially Conjugated Figure-Eight Aromatic Molecule.","Journal of the American Chemical Society","2019","141","18","7421","7427","10.1021/jacs.9b01797","","","0.71073","MoKα","","0.1021","0.0708","","","0.1797","0.2063","","","","","","1.022","","","","has coordinates,has disorder","221770","2020-10-21","18:00:00",""
"4128690","11.357","0.003","19.873","0.006","24.561","0.005","90","","92.26","0.03","90","","5539","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.35 H66.5 B4 Cl2.9 N2 O8.9 -","- C50.35 H66.5 B4 Cl2.9 N2 O8.9 -","- C201.4 H266 B16 Cl11.6 N8 O35.6 -","4","1","","Senthilkumar, Kabali; Kondratowicz, Mateusz; Lis, Tadeusz; Chmielewski, Piotr J.; Cybińska, Joanna; Zafra, José L; Casado, Juan; Vives, Thomas; Crassous, Jeanne; Favereau, Ludovic; Stępień, Marcin","Lemniscular [16]Cycloparaphenylene: A Radially Conjugated Figure-Eight Aromatic Molecule.","Journal of the American Chemical Society","2019","141","18","7421","7427","10.1021/jacs.9b01797","","","0.71073","MoKα","","0.1115","0.0922","","","0.2528","0.274","","","","","","1.107","","","","has coordinates,has disorder","221771","2020-10-21","18:00:00",""
"4128691","12.044","0.002","12.843","0.002","15.312","0.003","111.06","0.02","97.93","0.02","92.75","0.02","2176.9","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 Br4 N2 -","- C24 H12 Br4 N2 -","- C96 H48 Br16 N8 -","4","2","","Senthilkumar, Kabali; Kondratowicz, Mateusz; Lis, Tadeusz; Chmielewski, Piotr J.; Cybińska, Joanna; Zafra, José L; Casado, Juan; Vives, Thomas; Crassous, Jeanne; Favereau, Ludovic; Stępień, Marcin","Lemniscular [16]Cycloparaphenylene: A Radially Conjugated Figure-Eight Aromatic Molecule.","Journal of the American Chemical Society","2019","141","18","7421","7427","10.1021/jacs.9b01797","","","0.71073","MoKα","","0.0698","0.0534","","","0.1305","0.1489","","","","","","1.075","","","","has coordinates","221772","2020-10-21","18:00:00",""
"4128692","11.8361","0.0002","17.0449","0.0003","13.5799","0.0002","90","","94.612","0.001","90","","2730.81","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 B2 N2 -","- C34 H38 B2 N2 -","- C136 H152 B8 N8 -","4","1","","Liu, Kanglei; Lalancette, Roger A.; Jäkle, Frieder","Tuning the Structure and Electronic Properties of B-N Fused Dipyridylanthracene and Implications on the Self-Sensitized Reactivity with Singlet Oxygen.","Journal of the American Chemical Society","2019","141","18","7453","7462","10.1021/jacs.9b01958","","","1.54178","CuKα","","0.0434","0.0373","","","0.0909","0.0951","","","","","","1.028","","","","has coordinates","221773","2020-10-21","18:00:00",""
"4128693","11.2307","0.0005","18.6067","0.0009","15.1051","0.0007","90","","99.152","0.003","90","","3116.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H40 B2 Cl2 N2 -","- C35 H40 B2 Cl2 N2 -","- C140 H160 B8 Cl8 N8 -","4","2","","Liu, Kanglei; Lalancette, Roger A.; Jäkle, Frieder","Tuning the Structure and Electronic Properties of B-N Fused Dipyridylanthracene and Implications on the Self-Sensitized Reactivity with Singlet Oxygen.","Journal of the American Chemical Society","2019","141","18","7453","7462","10.1021/jacs.9b01958","","","1.54178","CuKα","","0.0782","0.0686","","","0.1945","0.2023","","","","","","1.04","","","","has coordinates","221774","2020-10-21","18:00:00",""
"4128694","19.979","0.004","8.1877","0.0016","14.542","0.003","90","","90","","90","","2378.8","0.8","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C21 H34 Cl N O2 P2 Ru -","- C21 H34 Cl N O2 P2 Ru -","- C84 H136 Cl4 N4 O8 P8 Ru4 -","4","1","","Tang, Shan; von Wolff, Niklas; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Pyridine-Based PCP-Ruthenium Complexes: Unusual Structures and Metal-Ligand Cooperation.","Journal of the American Chemical Society","2019","141","18","7554","7561","10.1021/jacs.9b02669","","","0.71073","MoKα","","0.0147","0.0142","","","0.0354","0.0356","","","","","","1.033","","","","has coordinates,has disorder","221775","2020-10-21","18:00:00",""
"4128695","14.9454","0.0005","13.329","0.0005","15.2365","0.0005","90","","114.46","0.001","90","","2762.81","0.17","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 Cl N O2 P2 Ru -","- C25 H42 Cl N O2 P2 Ru -","- C100 H168 Cl4 N4 O8 P8 Ru4 -","4","1","","Tang, Shan; von Wolff, Niklas; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Pyridine-Based PCP-Ruthenium Complexes: Unusual Structures and Metal-Ligand Cooperation.","Journal of the American Chemical Society","2019","141","18","7554","7561","10.1021/jacs.9b02669","","","0.71073","MoKα","","0.044","0.0323","","","0.0806","0.0876","","","","","","1.055","","","","has coordinates","221775","2020-10-21","18:00:00",""
"4128696","8.0794","0.0002","11.8473","0.0003","16.5367","0.0004","78.74","0.002","81.335","0.002","71.41","0.002","1464.74","0.07","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C23 H37 Cl F3 N O5 P2 Ru S -","- C23 H37 Cl F3 N O5 P2 Ru S -","- C46 H74 Cl2 F6 N2 O10 P4 Ru2 S2 -","2","1","","Tang, Shan; von Wolff, Niklas; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Pyridine-Based PCP-Ruthenium Complexes: Unusual Structures and Metal-Ligand Cooperation.","Journal of the American Chemical Society","2019","141","18","7554","7561","10.1021/jacs.9b02669","","","0.71073","MoKα","","0.027","0.0239","","","0.0563","0.0574","","","","","","1.032","","","","has coordinates,has disorder","221775","2020-10-21","18:00:00",""
"4128697","8.2741","0.0002","10.9141","0.0002","16.1941","0.0005","102.467","0.002","96.796","0.002","108.34","0.002","1327.73","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 Cl N O3 P2 Ru -","- C24 H40 Cl N O3 P2 Ru -","- C48 H80 Cl2 N2 O6 P4 Ru2 -","2","1","","Tang, Shan; von Wolff, Niklas; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Pyridine-Based PCP-Ruthenium Complexes: Unusual Structures and Metal-Ligand Cooperation.","Journal of the American Chemical Society","2019","141","18","7554","7561","10.1021/jacs.9b02669","","","0.71073","MoKα","","0.0505","0.0382","","","0.0908","0.0969","","","","","","1.084","","","","has coordinates,has disorder","221775","2020-10-21","18:00:00",""
"4128698","8.4532","0.0003","12.2712","0.0003","16.5682","0.0004","102.398","0.002","103.639","0.002","92.35","0.002","1623.6","0.08","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H46 F3 N O5 P2 Ru S -","- C27 H46 F3 N O5 P2 Ru S -","- C54 H92 F6 N2 O10 P4 Ru2 S2 -","2","1","","Tang, Shan; von Wolff, Niklas; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Pyridine-Based PCP-Ruthenium Complexes: Unusual Structures and Metal-Ligand Cooperation.","Journal of the American Chemical Society","2019","141","18","7554","7561","10.1021/jacs.9b02669","","","0.71073","MoKα","","0.043","0.0371","","","0.0761","0.0775","","","","","","1.209","","","","has coordinates,has disorder","221775","2020-10-21","18:00:00",""
"4128699","12.2611","0.0005","15.6139","0.0005","15.0481","0.0006","90","","109.982","0.004","90","","2707.43","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H43 N O2 P2 Ru -","- C25 H43 N O2 P2 Ru -","- C100 H172 N4 O8 P8 Ru4 -","4","1","","Tang, Shan; von Wolff, Niklas; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Pyridine-Based PCP-Ruthenium Complexes: Unusual Structures and Metal-Ligand Cooperation.","Journal of the American Chemical Society","2019","141","18","7554","7561","10.1021/jacs.9b02669","","","0.71073","MoKα","","0.0337","0.0272","","","0.0656","0.0687","","","","","","1.048","","","","has coordinates","221775","2020-10-21","18:00:00",""
"4128700","11.3756","0.0017","39.096","0.006","11.5017","0.0018","90","","96.094","0.004","90","","5086.4","1.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C105 H126 Cl2 Co2 O4.5 P6 -","- C105 H126 Cl2 Co2 O4.5 P6 -","- C210 H252 Cl4 Co4 O9 P12 -","2","1","","Duvvuri, Krishnaja; Dewese, Kendra R.; Parsutkar, Mahesh M.; Jing, Stanley M.; Mehta, Milauni M.; Gallucci, Judith C.; RajanBabu, T. V.","Cationic Co(I)-Intermediates for Hydrofunctionalization Reactions: Regio- and Enantioselective Cobalt-Catalyzed 1,2-Hydroboration of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","18","7365","7375","10.1021/jacs.8b13812","","x-ray","0.71073","MoKα","","0.0765","0.0727","","","0.1856","0.1878","","","","","","1.108","","","","has coordinates","221777","2020-10-21","18:00:00",""
"4128701","21.4598","0.0009","21.5413","0.0009","23.7245","0.001","66.439","0.001","66.401","0.001","71.722","0.001","9056.8","0.7","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H78 Cl2 Co2 P6 -","- C81 H78 Cl2 Co2 P6 -","- C324 H312 Cl8 Co8 P24 -","4","2","","Duvvuri, Krishnaja; Dewese, Kendra R.; Parsutkar, Mahesh M.; Jing, Stanley M.; Mehta, Milauni M.; Gallucci, Judith C.; RajanBabu, T. V.","Cationic Co(I)-Intermediates for Hydrofunctionalization Reactions: Regio- and Enantioselective Cobalt-Catalyzed 1,2-Hydroboration of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","18","7365","7375","10.1021/jacs.8b13812","","x-ray","0.71073","MoKα","","0.0644","0.0422","","","0.1056","0.1171","","","","","","1.025","","","","has coordinates","221778","2020-10-21","18:00:00",""
"4128702","8.3679","0.0002","9.3117","0.0004","10.5715","0.0004","68.047","0.004","81.979","0.003","65.376","0.003","694.39","0.05","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H38 Fe2 O10 -","- C24 H38 Fe2 O10 -","- C24 H38 Fe2 O10 -","1","0.5","","Kim, Dongyoung; Rahaman, S. M. Wahidur; Mercado, Brandon Q.; Poli, Rinaldo; Holland, Patrick L.","Roles of Iron Complexes in Catalytic Radical Alkene Cross-Coupling: A Computational and Mechanistic Study.","Journal of the American Chemical Society","2019","141","18","7473","7485","10.1021/jacs.9b02117","","","0.71073","MoKα","","0.0244","0.0229","","","0.0618","0.0623","","","","","","1.105","","","","has coordinates","221779","2020-10-21","18:00:00",""
"4128703","6.2087","0.0008","6.2087","0.0008","6.2087","0.0008","90","","90","","90","","239.33","0.05","330","","330","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C6 H12 N O4 Re -","- C6.9996 O3.9996 Re -","- C6.9996 O3.9996 Re -","1","0.0208333","","Harada, Jun; Kawamura, Yuto; Takahashi, Yukihiro; Uemura, Yohei; Hasegawa, Tatsuo; Taniguchi, Hiroki; Maruyama, Koji","Plastic/Ferroelectric Crystals with Easily Switchable Polarization: Low-Voltage Operation, Unprecedentedly High Pyroelectric Performance, and Large Piezoelectric Effect in Polycrystalline Forms.","Journal of the American Chemical Society","2019","141","23","9349","9357","10.1021/jacs.9b03369","","","0.71073","MoKα","","0.0246","0.0237","","","0.0655","0.066","","","","","","1.223","","","","has coordinates","221780","2020-10-21","18:00:00",""
"4128704","6.1776","0.0007","6.1776","0.0007","6.1776","0.0007","89.846","0.001","89.846","0.001","89.846","0.001","235.75","0.05","300","","300","","","","","","","","","5","R 3 m :R","P 3* -2","160","","","","- C6 H12 N O4 Re -","- C6 H12.0001 N O4 Re -","- C6 H12.0001 N O4 Re -","1","0.166667","","Harada, Jun; Kawamura, Yuto; Takahashi, Yukihiro; Uemura, Yohei; Hasegawa, Tatsuo; Taniguchi, Hiroki; Maruyama, Koji","Plastic/Ferroelectric Crystals with Easily Switchable Polarization: Low-Voltage Operation, Unprecedentedly High Pyroelectric Performance, and Large Piezoelectric Effect in Polycrystalline Forms.","Journal of the American Chemical Society","2019","141","23","9349","9357","10.1021/jacs.9b03369","","","0.71073","MoKα","","0.0168","0.0168","","","0.0415","0.0415","","","","","","1.171","","","","has coordinates,has disorder","221780","2020-10-21","18:00:00",""
"4128705","6.218","0.01","6.218","0.01","6.218","0.01","90","","90","","90","","240.4","0.7","270","","270","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C6 H12 I N O4 -","- C6.9996 I O3.9996 -","- C6.9996 I O3.9996 -","1","0.0208333","","Harada, Jun; Kawamura, Yuto; Takahashi, Yukihiro; Uemura, Yohei; Hasegawa, Tatsuo; Taniguchi, Hiroki; Maruyama, Koji","Plastic/Ferroelectric Crystals with Easily Switchable Polarization: Low-Voltage Operation, Unprecedentedly High Pyroelectric Performance, and Large Piezoelectric Effect in Polycrystalline Forms.","Journal of the American Chemical Society","2019","141","23","9349","9357","10.1021/jacs.9b03369","","","0.71073","MoKα","","0.0497","0.048","","","0.1151","0.1153","","","","","","1.311","","","","has coordinates","221780","2020-10-21","18:00:00",""
"4128706","8.3171","0.0009","8.7877","0.0011","17.784","0.002","90.246","0.006","98.944","0.006","103.627","0.006","1246.7","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H64 Si2 -","- C64 H64 Si2 -","- C64 H64 Si2 -","1","0.5","","Jousselin-Oba, Tanguy; Mamada, Masashi; Marrot, Jérôme; Maignan, Antoine; Adachi, Chihaya; Yassar, Abderrahim; Frigoli, Michel","Excellent Semiconductors Based on Tetracenotetracene and Pentacenopentacene: From Stable Closed-Shell to Singlet Open-Shell.","Journal of the American Chemical Society","2019","141","23","9373","9381","10.1021/jacs.9b03488","","","0.71073","MoKα","","0.0842","0.0667","","","0.1639","0.1792","","","","","","1.042","","","","has coordinates","221781","2020-10-21","18:00:00",""
"4128707","9.892","0.002","19.639","0.004","10.615","0.002","90","","106.64","0.03","90","","1975.8","0.7","128.15","","128.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H50 N6 O7 -","- C41 H50 N6 O7 -","- C82 H100 N12 O14 -","2","1","","Li, Bo; Li, Xinghua; Han, Boyang; Chen, Zhijie; Zhang, Xuekai; He, Gang; Chen, Gong","Construction of Natural-Product-Like Cyclophane-Braced Peptide Macrocycles via sp<sup>3</sup> C-H Arylation.","Journal of the American Chemical Society","2019","141","23","9401","9407","10.1021/jacs.9b04221","","","0.71073","MoKα","","0.0619","0.043","","","0.0807","0.09","","","","","","0.952","","","","has coordinates","221782","2020-10-21","18:00:00",""
"4128708","21.355","0.0001","12.8409","0.0001","11.1411","0.0001","90","","90","","90","","3055.08","0.04","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C30.5 H36 Cl N5 O6 -","- C30.5 H36 Cl N5 O6 -","- C122 H144 Cl4 N20 O24 -","4","1","","Li, Bo; Li, Xinghua; Han, Boyang; Chen, Zhijie; Zhang, Xuekai; He, Gang; Chen, Gong","Construction of Natural-Product-Like Cyclophane-Braced Peptide Macrocycles via sp<sup>3</sup> C-H Arylation.","Journal of the American Chemical Society","2019","141","23","9401","9407","10.1021/jacs.9b04221","","x-ray","1.54184","CuKα","","0.0413","0.0404","","","0.1199","0.1209","","","","","","1.069","","","","has coordinates,has disorder","221783","2020-10-21","18:00:00",""
"4128709","11.2412","0.0001","10.5448","0.0001","17.0505","0.0001","90","","107.124","0.001","90","","1931.51","0.03","294","2","294.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H50 N6 O6 -","- C39 H50 N6 O6 -","- C78 H100 N12 O12 -","2","1","","Li, Bo; Li, Xinghua; Han, Boyang; Chen, Zhijie; Zhang, Xuekai; He, Gang; Chen, Gong","Construction of Natural-Product-Like Cyclophane-Braced Peptide Macrocycles via sp<sup>3</sup> C-H Arylation.","Journal of the American Chemical Society","2019","141","23","9401","9407","10.1021/jacs.9b04221","","x-ray","1.54184","CuKα","","0.0331","0.0322","","","0.0929","0.0939","","","","","","1.039","","","","has coordinates","221784","2020-10-21","18:00:00",""
"4128710","7.247","0.002","10.734","0.003","10.837","0.003","82.378","0.003","86.98","0.003","87.899","0.003","834","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 N2 O4 S -","- C16 H22 N2 O4 S -","- C32 H44 N4 O8 S2 -","2","1","","Li, Hongze; Shen, Shou-Jie; Zhu, Cheng-Liang; Xu, Hao","Direct Intermolecular Anti-Markovnikov Hydroazidation of Unactivated Olefins.","Journal of the American Chemical Society","2019","141","23","9415","9421","10.1021/jacs.9b04381","","","0.71073","MoKα","","0.0882","0.083","","","0.2466","0.2523","","","","","","1.084","","","","has coordinates","221785","2020-10-21","18:00:00",""
"4128711","9.2727","0.0017","12.891","0.002","5.4962","0.0012","90","","90.015","0.007","90","","657","0.2","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C8 H2 Co3 O10 -","- C8 H2 Co3 O10 -","- C16 H4 Co6 O20 -","2","0.25","","Li, Liangying; Guo, Lidong; Zhang, Zhiguo; Yang, Qiwei; Yang, Yiwen; Bao, Zongbi; Ren, Qilong; Li, Jing","A Robust Squarate-Based Metal-Organic Framework Demonstrates Record-High Affinity and Selectivity for Xenon over Krypton.","Journal of the American Chemical Society","2019","141","23","9358","9364","10.1021/jacs.9b03422","","","0.71073","MoKα","","0.0202","0.0194","","","0.0523","0.0527","","","","","","1.009","","","","has coordinates","221786","2020-10-21","18:00:00",""
"4128712","10.113","0.01","17.305","0.016","15.793","0.015","90","","93.473","0.013","90","","2759","5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Cl8 Ga2 P2 Se2 -","- C38 H34 Cl8 Ga2 P2 Se2 -","- C76 H68 Cl16 Ga4 P4 Se4 -","2","0.5","","Wang, Wei; Zhu, Haofu; Liu, Shuya; Zhao, Zhiguo; Zhang, Liang; Hao, Jingcheng; Wang, Yao","Chalcogen-Chalcogen Bonding Catalysis Enables Assembly of Discrete Molecules.","Journal of the American Chemical Society","2019","141","23","9175","9179","10.1021/jacs.9b03806","","","0.71073","MoKα","","0.1435","0.0626","","","0.1193","0.1543","","","","","","1.014","","","","has coordinates","221787","2020-10-21","18:00:00",""
"4128713","6.476","0.004","11.412","0.007","16.422","0.009","90","","99.474","0.006","90","","1197.1","1.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F3 N2 O3 S2 -","- C8 H7 F3 N2 O3 S2 -","- C32 H28 F12 N8 O12 S8 -","4","1","","Wang, Wei; Zhu, Haofu; Liu, Shuya; Zhao, Zhiguo; Zhang, Liang; Hao, Jingcheng; Wang, Yao","Chalcogen-Chalcogen Bonding Catalysis Enables Assembly of Discrete Molecules.","Journal of the American Chemical Society","2019","141","23","9175","9179","10.1021/jacs.9b03806","","","0.71073","MoKα","","0.0763","0.0432","","","0.098","0.1162","","","","","","1.041","","","","has coordinates","221788","2020-10-21","18:00:00",""
"4128714","12.628","0.004","11.193","0.003","18.905","0.005","90","","105.154","0.003","90","","2579.2","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N O6 -","- C30 H31 N O6 -","- C120 H124 N4 O24 -","4","1","","Wang, Wei; Zhu, Haofu; Liu, Shuya; Zhao, Zhiguo; Zhang, Liang; Hao, Jingcheng; Wang, Yao","Chalcogen-Chalcogen Bonding Catalysis Enables Assembly of Discrete Molecules.","Journal of the American Chemical Society","2019","141","23","9175","9179","10.1021/jacs.9b03806","","","0.71073","MoKα","","0.092","0.0479","","","0.107","0.1284","","","","","","1.014","","","","has coordinates","221789","2020-10-21","18:00:00",""
"4128715","9.579","0.0004","17.1831","0.0003","11.6372","0.0005","90","","114.236","0.006","90","","1746.62","0.14","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Wang, Wei; Zhu, Haofu; Liu, Shuya; Zhao, Zhiguo; Zhang, Liang; Hao, Jingcheng; Wang, Yao","Chalcogen-Chalcogen Bonding Catalysis Enables Assembly of Discrete Molecules.","Journal of the American Chemical Society","2019","141","23","9175","9179","10.1021/jacs.9b03806","","x-ray","1.54184","CuKα","","0.0524","0.0436","","","0.1135","0.1289","","","","","","1.091","","","","has coordinates","221790","2020-10-21","18:00:00",""
"4128716","13.843","0.012","14.77","0.013","16.408","0.015","98.002","0.009","111.568","0.008","91.861","0.009","3077","5","298","2","298","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H42 Cl4 Ga P2 Se2 -","- C56 H42 Cl4 Ga P2 Se2 -","- C112 H84 Cl8 Ga2 P4 Se4 -","2","1","","Wang, Wei; Zhu, Haofu; Liu, Shuya; Zhao, Zhiguo; Zhang, Liang; Hao, Jingcheng; Wang, Yao","Chalcogen-Chalcogen Bonding Catalysis Enables Assembly of Discrete Molecules.","Journal of the American Chemical Society","2019","141","23","9175","9179","10.1021/jacs.9b03806","","x-ray","0.71073","MoKα","","0.1852","0.0584","","","0.1294","0.1739","","","","","","0.935","","","","has coordinates","221791","2020-10-21","18:00:00",""
"4128717","13.521","0.009","8.727","0.006","16.583","0.011","90","","112.641","0.007","90","","1806","2","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Wang, Wei; Zhu, Haofu; Liu, Shuya; Zhao, Zhiguo; Zhang, Liang; Hao, Jingcheng; Wang, Yao","Chalcogen-Chalcogen Bonding Catalysis Enables Assembly of Discrete Molecules.","Journal of the American Chemical Society","2019","141","23","9175","9179","10.1021/jacs.9b03806","","","0.71073","MoKα","","0.0621","0.0454","","","0.1238","0.1356","","","","","","1.058","","","","has coordinates","221792","2020-10-21","18:00:00",""
"4128718","12.2462","0.0004","18.9725","0.0006","20.7122","0.0006","91.488","0.001","100.961","0.001","102.263","0.001","4605.6","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H93 Cl4 F12 N8 O14.5 Rh4 S4 -","- C76 H93 Cl4 F12 N8 O14.5 Rh4 S4 -","- C152 H186 Cl8 F24 N16 O29 Rh8 S8 -","2","1","","Gao, Wen-Xi; Feng, Hui-Jun; Lin, Yue-Jian; Jin, Guo-Xin","Covalent Post-assembly Modification Triggers Structural Transformations of Borromean Rings.","Journal of the American Chemical Society","2019","141","23","9160","9164","10.1021/jacs.9b02985","","","1.34138","GaKα","","0.0587","0.0534","","","0.1405","0.1464","","","","","","1.055","","","","has coordinates,has disorder","221793","2020-10-21","18:00:00",""
"4128719","22.226","0.003","22.561","0.003","23.443","0.003","61.751","0.005","83.713","0.005","67.618","0.004","9539","2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C104 H106.67 F12 N25.33 O28 Pd2 Rh4 S4 -","- C88.6667 H88 F6 N17.3333 O18 Pd2 Rh4 S2 -","- C266 H264 F18 N52 O54 Pd6 Rh12 S6 -","3","1.5","","Gao, Wen-Xi; Feng, Hui-Jun; Lin, Yue-Jian; Jin, Guo-Xin","Covalent Post-assembly Modification Triggers Structural Transformations of Borromean Rings.","Journal of the American Chemical Society","2019","141","23","9160","9164","10.1021/jacs.9b02985","","","1.34138","GaKα","","0.0816","0.0614","","","0.1698","0.1877","","","","","","1.051","","","","has coordinates,has disorder","221794","2020-10-21","18:00:00",""
"4128720","22.109","0.004","32.573","0.006","23.984","0.005","90","","101.33","0.004","90","","16936","6","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C102 H120.67 F12 N12 O27.67 Rh4 S4 -","- C87.3333 H84 F8 N12 O16.6667 Rh4 S2.66667 -","- C524 H504 F48 N72 O100 Rh24 S16 -","6","1.5","","Gao, Wen-Xi; Feng, Hui-Jun; Lin, Yue-Jian; Jin, Guo-Xin","Covalent Post-assembly Modification Triggers Structural Transformations of Borromean Rings.","Journal of the American Chemical Society","2019","141","23","9160","9164","10.1021/jacs.9b02985","","","0.71073","MoKα","","0.1844","0.1165","","","0.3034","0.3517","","","","","","1.021","","","","has coordinates,has disorder","221795","2020-10-21","18:00:00",""
"4128721","24.819","0.007","15.641","0.005","29.158","0.008","90","","103.341","0.005","90","","11014","6","203","2","203","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C89 H102 Cl4 F12 N12 O24 Rh4 S4 -","- C84 H86 Cl4 F12 N12 O21 Rh4 S4 -","- C336 H344 Cl16 F48 N48 O84 Rh16 S16 -","4","1","","Gao, Wen-Xi; Feng, Hui-Jun; Lin, Yue-Jian; Jin, Guo-Xin","Covalent Post-assembly Modification Triggers Structural Transformations of Borromean Rings.","Journal of the American Chemical Society","2019","141","23","9160","9164","10.1021/jacs.9b02985","","","0.71073","MoKα","","0.1022","0.0601","","","0.1584","0.1878","","","","","","1.015","","","","has coordinates,has disorder","221796","2020-10-21","18:00:00",""
"4128722","42.412","0.009","24.783","0.005","37.548","0.008","90","","93.396","0.004","90","","39397","14","203","2","203","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C104 H140 F12 N12 O38 Pd2 Rh4 S6 -","- C91.6667 H92 F7 N12 O19.6667 Pd2 Rh4 S3 -","- C1100 H1104 F84 N144 O236 Pd24 Rh48 S36 -","12","1.5","","Gao, Wen-Xi; Feng, Hui-Jun; Lin, Yue-Jian; Jin, Guo-Xin","Covalent Post-assembly Modification Triggers Structural Transformations of Borromean Rings.","Journal of the American Chemical Society","2019","141","23","9160","9164","10.1021/jacs.9b02985","","","0.71073","MoKα","","0.1613","0.0923","","","0.2458","0.3084","","","","","","1.034","","","","has coordinates,has disorder","221797","2020-10-21","18:00:00",""
"4128723","14.5778","0.0007","19.8862","0.0009","18.8713","0.0009","90","","111.907","0.002","90","","5075.7","0.4","173","2","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C70 H86 Cl4 F12 N12 O14 Rh4 S4 -","- C70 H86 Cl4 F12 N12 O14 Rh4 S4 -","- C140 H172 Cl8 F24 N24 O28 Rh8 S8 -","2","0.5","","Gao, Wen-Xi; Feng, Hui-Jun; Lin, Yue-Jian; Jin, Guo-Xin","Covalent Post-assembly Modification Triggers Structural Transformations of Borromean Rings.","Journal of the American Chemical Society","2019","141","23","9160","9164","10.1021/jacs.9b02985","","","1.34138","GaKα","","0.0661","0.0534","","","0.1272","0.1428","","","","","","1.128","","","","has coordinates","221798","2020-10-21","18:00:00",""
"4128724","14.6899","0.0013","11.8518","0.0011","7.5864","0.0006","90","","98.535","0.003","90","","1306.2","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","Kim, Inwon; Kang, Gyumin; Lee, Kangjae; Park, Bohyun; Kang, Dahye; Jung, Hoimin; He, Yu-Tao; Baik, Mu-Hyun; Hong, Sungwoo","Site-Selective Functionalization of Pyridinium Derivatives via Visible-Light-Driven Photocatalysis with Quinolinone.","Journal of the American Chemical Society","2019","141","23","9239","9248","10.1021/jacs.9b02013","","","0.71073","MoKα","","0.0482","0.041","","","0.1137","0.1206","","","","","","1.065","","","","has coordinates","221799","2020-10-21","18:00:00",""
"4128725","15.0243","0.0018","9.1417","0.0011","11.0063","0.0013","90","","92.782","0.006","90","","1509.9","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N O P -","- C18 H16 N O P -","- C72 H64 N4 O4 P4 -","4","1","","Kim, Inwon; Kang, Gyumin; Lee, Kangjae; Park, Bohyun; Kang, Dahye; Jung, Hoimin; He, Yu-Tao; Baik, Mu-Hyun; Hong, Sungwoo","Site-Selective Functionalization of Pyridinium Derivatives via Visible-Light-Driven Photocatalysis with Quinolinone.","Journal of the American Chemical Society","2019","141","23","9239","9248","10.1021/jacs.9b02013","","","0.71073","MoKα","","0.0469","0.0384","","","0.1063","0.1129","","","","","","1.067","","","","has coordinates","221800","2020-10-21","18:00:00",""
"4128726","8.7457","0.0006","9.3045","0.0006","12.4461","0.0008","104.345","0.002","103.023","0.002","90.34","0.002","953.93","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 N O3 P -","- C23 H20 N O3 P -","- C46 H40 N2 O6 P2 -","2","1","","Kim, Inwon; Kang, Gyumin; Lee, Kangjae; Park, Bohyun; Kang, Dahye; Jung, Hoimin; He, Yu-Tao; Baik, Mu-Hyun; Hong, Sungwoo","Site-Selective Functionalization of Pyridinium Derivatives via Visible-Light-Driven Photocatalysis with Quinolinone.","Journal of the American Chemical Society","2019","141","23","9239","9248","10.1021/jacs.9b02013","","","0.71073","MoKα","","0.0653","0.0474","","","0.1299","0.1448","","","","","","1.041","","","","has coordinates","221801","2020-10-21","18:00:00",""
"4128727","8.8392","0.0006","17.5163","0.0012","11.7943","0.0008","90","","109.285","0.002","90","","1723.6","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N O P -","- C22 H18 N O P -","- C88 H72 N4 O4 P4 -","4","1","","Kim, Inwon; Kang, Gyumin; Lee, Kangjae; Park, Bohyun; Kang, Dahye; Jung, Hoimin; He, Yu-Tao; Baik, Mu-Hyun; Hong, Sungwoo","Site-Selective Functionalization of Pyridinium Derivatives via Visible-Light-Driven Photocatalysis with Quinolinone.","Journal of the American Chemical Society","2019","141","23","9239","9248","10.1021/jacs.9b02013","","","0.71073","MoKα","","0.0375","0.0338","","","0.0918","0.0949","","","","","","1.031","","","","has coordinates","221802","2020-10-21","18:00:00",""
"4128728","26.283","0.0001","26.283","0.0001","26.283","0.0001","90","","90","","90","","18156.2","0.12","110","2","110","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Cu3(BTC)2_55","catena-[bis(m-benzene-1,3,5-tricarboxylato)-triaqua-tri-copper","","- C18 H6 Cu3 O13.5 -","- C18 H6 Cu3 O13.581 -","- C288 H96 Cu48 O217.296 -","16","0.0833333","","Scatena, Rebecca; Guntern, Yannick T.; Macchi, Piero","Electron Density and Dielectric Properties of Highly Porous MOFs: Binding and Mobility of Guest Molecules in Cu<sub>3</sub>(BTC)<sub>2</sub> and Zn<sub>3</sub>(BTC)<sub>2</sub>.","Journal of the American Chemical Society","2019","141","23","9382","9390","10.1021/jacs.9b03643","","","0.71073","MoKα","","0.094","0.0731","","","0.2538","0.2769","","","","","","1.28","","","","has coordinates","221803","2020-10-21","18:00:00",""
"4128729","26.3038","0.0001","26.3038","0.0001","26.3038","0.0001","90","","90","","90","","18199.3","0.12","110","2","110","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Cu3(BTC)2_100","catena-[bis(m-benzene-1,3,5-tricarboxylato)-triaqua-tri-copper","","- C18 H6 Cu3 O15 -","- C18 H6 Cu3 O15 -","- C288 H96 Cu48 O240 -","16","0.0833333","","Scatena, Rebecca; Guntern, Yannick T.; Macchi, Piero","Electron Density and Dielectric Properties of Highly Porous MOFs: Binding and Mobility of Guest Molecules in Cu<sub>3</sub>(BTC)<sub>2</sub> and Zn<sub>3</sub>(BTC)<sub>2</sub>.","Journal of the American Chemical Society","2019","141","23","9382","9390","10.1021/jacs.9b03643","","","0.71073","MoKα","","0.1056","0.0831","","","0.2762","0.3002","","","","","","1.211","","","","has coordinates","221804","2020-10-21","18:00:00",""
"4128730","26.279","0.0001","26.279","0.0001","26.279","0.0001","90","","90","","90","","18147.9","0.12","110","2","110","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Cu3(BTC)2_28","catena-[bis(m-benzene-1,3,5-tricarboxylato)-triaqua-tri-copper","","- C18 H6 Cu3 O13 -","- C18 H6 Cu3 O12.852 -","- C288 H96 Cu48 O205.632 -","16","0.0833333","","Scatena, Rebecca; Guntern, Yannick T.; Macchi, Piero","Electron Density and Dielectric Properties of Highly Porous MOFs: Binding and Mobility of Guest Molecules in Cu<sub>3</sub>(BTC)<sub>2</sub> and Zn<sub>3</sub>(BTC)<sub>2</sub>.","Journal of the American Chemical Society","2019","141","23","9382","9390","10.1021/jacs.9b03643","","","0.71073","MoKα","","0.0538","0.0339","","","0.0927","0.1078","","","","","","1.12","","","","has coordinates","221805","2020-10-21","18:00:00",""
"4128731","26.269","0.0001","26.269","0.0001","26.269","0.0001","90","","90","","90","","18127.2","0.12","110","2","110","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Cu3(BTC)2_14","catena-[bis(m-benzene-1,3,5-tricarboxylato)-triaqua-tri-copper","","- C18 H6 Cu3 O12.5 -","- C18 H6 Cu3 O12.432 -","- C288 H96 Cu48 O198.912 -","16","0.0833333","","Scatena, Rebecca; Guntern, Yannick T.; Macchi, Piero","Electron Density and Dielectric Properties of Highly Porous MOFs: Binding and Mobility of Guest Molecules in Cu<sub>3</sub>(BTC)<sub>2</sub> and Zn<sub>3</sub>(BTC)<sub>2</sub>.","Journal of the American Chemical Society","2019","141","23","9382","9390","10.1021/jacs.9b03643","","","0.71073","MoKα","","0.0217","0.0203","","","0.0602","0.0613","","","","","","1.081","","","","has coordinates","221806","2020-10-21","18:00:00",""
"4128732","8.6884","0.0008","9.4552","0.0008","14.6981","0.0012","92.465","0.003","104.135","0.003","112.842","0.003","1066.17","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H60 Br2 Cl4 F4 N2 O2 -","- C32 H60 Br2 Cl4 F4 N2 O2 -","- C32 H60 Br2 Cl4 F4 N2 O2 -","1","0.5","","Kepler, Slade; Zeller, Matthias; Rosokha, Sergiy V.","Anion-π Complexes of Halides with p-Benzoquinones: Structures, Thermodynamics, and Criteria of Charge Transfer to Electron Transfer Transition.","Journal of the American Chemical Society","2019","141","23","9338","9348","10.1021/jacs.9b03277","","","0.71073","MoKα","","0.1064","0.0584","","","0.1376","0.1531","","","","","","1.003","","","","has coordinates","221807","2020-10-21","18:00:00",""
"4128733","9.4008","0.0014","10.9112","0.0016","11.8382","0.0018","105.366","0.005","97.509","0.006","110.255","0.005","1064.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 F4 I N O2 -","- C18 H28 F4 I N O2 -","- C36 H56 F8 I2 N2 O4 -","2","1","","Kepler, Slade; Zeller, Matthias; Rosokha, Sergiy V.","Anion-π Complexes of Halides with p-Benzoquinones: Structures, Thermodynamics, and Criteria of Charge Transfer to Electron Transfer Transition.","Journal of the American Chemical Society","2019","141","23","9338","9348","10.1021/jacs.9b03277","","","0.71073","MoKα","","0.0562","0.0356","","","0.0675","0.0749","","","","","","1.06","","","","has coordinates","221808","2020-10-21","18:00:00",""
"4128734","9.41","0.0004","9.4831","0.0004","12.9042","0.0005","97.931","0.002","90.411","0.002","97.764","0.002","1129.66","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H29 Br F4 N O4 -","- C19 H29 Br F4 N O4 -","- C38 H58 Br2 F8 N2 O8 -","2","1","","Kepler, Slade; Zeller, Matthias; Rosokha, Sergiy V.","Anion-π Complexes of Halides with p-Benzoquinones: Structures, Thermodynamics, and Criteria of Charge Transfer to Electron Transfer Transition.","Journal of the American Chemical Society","2019","141","23","9338","9348","10.1021/jacs.9b03277","","","1.54178","CuKα","","0.0615","0.0528","","","0.1426","0.1513","","","","","","1.109","","","","has coordinates","221809","2020-10-21","18:00:00",""
"4128735","10.2282","0.0006","12.5758","0.0007","19.9561","0.0009","90","","97.358","0.002","90","","2545.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 Cl6 N8 O6 -","- C48 H56 Cl6 N8 O6 -","- C96 H112 Cl12 N16 O12 -","2","0.5","","Kepler, Slade; Zeller, Matthias; Rosokha, Sergiy V.","Anion-π Complexes of Halides with p-Benzoquinones: Structures, Thermodynamics, and Criteria of Charge Transfer to Electron Transfer Transition.","Journal of the American Chemical Society","2019","141","23","9338","9348","10.1021/jacs.9b03277","","","0.71073","MoKα","","0.0776","0.0439","","","0.0892","0.1026","","","","","","1.019","","","","has coordinates,has disorder","221810","2020-10-21","18:00:00",""
"4128736","15.2745","0.0013","10.2019","0.0009","20.6506","0.0018","90","","96.098","0.006","90","","3199.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cl5 N5 O4 -","- C28 H28 Cl5 N5 O4 -","- C112 H112 Cl20 N20 O16 -","4","1","","Kepler, Slade; Zeller, Matthias; Rosokha, Sergiy V.","Anion-π Complexes of Halides with p-Benzoquinones: Structures, Thermodynamics, and Criteria of Charge Transfer to Electron Transfer Transition.","Journal of the American Chemical Society","2019","141","23","9338","9348","10.1021/jacs.9b03277","","","0.71073","MoKα","","0.1531","0.0613","","","0.0978","0.1201","","","","","","0.996","","","","has coordinates,has disorder","221811","2020-10-21","18:00:00",""
"4128737","20.778","0.004","7.2406","0.0017","17.576","0.006","90","","98.794","0.012","90","","2613.1","1.2","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H64 N18 O24 P2 -","- C38 H64 N18 O24 P2 -","- C76 H128 N36 O48 P4 -","2","0.5","","Zhou, Li; Retailleau, Pascal; Morel, Mathieu; Rudiuk, Sergii; Baigl, Damien","Photoswitchable Fluorescent Crystals Obtained by the Photoreversible Coassembly of a Nucleobase and an Azobenzene Intercalator.","Journal of the American Chemical Society","2019","141","23","9321","9329","10.1021/jacs.9b02836","","","1.54187","CuKα","","0.1971","0.0891","","","0.2031","0.265","","","","","","0.978","","","","has coordinates","221812","2020-10-21","18:00:00",""
"4128738","11.3484","0.0007","20.8006","0.0012","17.0866","0.001","90","","102.202","0.002","90","","3942.2","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H49 Cl5 N4 O3 Th -","- C35 H49 Cl5 N4 O3 Th -","- C140 H196 Cl20 N16 O12 Th4 -","4","1","","Cheisson, Thibault; Kersey, Kyle D.; Mahieu, Nolwenn; McSkimming, Alex; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Multiple Bonding in Lanthanides and Actinides: Direct Comparison of Covalency in Thorium(IV)- and Cerium(IV)-Imido Complexes.","Journal of the American Chemical Society","2019","141","23","9185","9190","10.1021/jacs.9b04061","","","0.71073","MoKα","","0.0205","0.0186","","","0.0479","0.0491","","","","","","1.251","","","","has coordinates","221813","2020-10-21","18:00:00",""
"4128739","9.712","0.0008","17.5161","0.0015","22.8464","0.0017","90","","93.634","0.003","90","","3878.7","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H56 N4 O3 Si Th -","- C37 H56 N4 O3 Si Th -","- C148 H224 N16 O12 Si4 Th4 -","4","1","","Cheisson, Thibault; Kersey, Kyle D.; Mahieu, Nolwenn; McSkimming, Alex; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Multiple Bonding in Lanthanides and Actinides: Direct Comparison of Covalency in Thorium(IV)- and Cerium(IV)-Imido Complexes.","Journal of the American Chemical Society","2019","141","23","9185","9190","10.1021/jacs.9b04061","","","0.71073","MoKα","","0.058","0.0508","","","0.1022","0.1059","","","","","","1.243","","","","has coordinates,has disorder","221813","2020-10-21","18:00:00",""
"4128740","12.0934","0.0015","17.895","0.002","20.998","0.003","90","","97.346","0.006","90","","4506.9","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H57 F6 N5 O4 Th -","- C45 H57 F6 N5 O4 Th -","- C180 H228 F24 N20 O16 Th4 -","4","1","","Cheisson, Thibault; Kersey, Kyle D.; Mahieu, Nolwenn; McSkimming, Alex; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Multiple Bonding in Lanthanides and Actinides: Direct Comparison of Covalency in Thorium(IV)- and Cerium(IV)-Imido Complexes.","Journal of the American Chemical Society","2019","141","23","9185","9190","10.1021/jacs.9b04061","","","0.71073","MoKα","","0.0274","0.0228","","","0.0547","0.057","","","","","","1.067","","","","has coordinates","221813","2020-10-21","18:00:00",""
"4128741","13.9171","0.0006","18.1649","0.0007","22.1946","0.0009","90","","96.724","0.002","90","","5572.3","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H64 F6 Li N5 O5 Th -","- C49 H64 F6 Li N5 O5 Th -","- C196 H256 F24 Li4 N20 O20 Th4 -","4","1","","Cheisson, Thibault; Kersey, Kyle D.; Mahieu, Nolwenn; McSkimming, Alex; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Multiple Bonding in Lanthanides and Actinides: Direct Comparison of Covalency in Thorium(IV)- and Cerium(IV)-Imido Complexes.","Journal of the American Chemical Society","2019","141","23","9185","9190","10.1021/jacs.9b04061","","","0.71073","MoKα","","0.048","0.0444","","","0.1112","0.1129","","","","","","1.348","","","","has coordinates,has disorder","221813","2020-10-21","18:00:00",""
"4128742","11.8126","0.0006","12.0421","0.0006","25.5193","0.0012","94.897","0.002","95.005","0.002","118.644","0.002","3139.9","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H84 F6 K N7 O9 Th -","- C59 H84 F6 K N7 O9 Th -","- C118 H168 F12 K2 N14 O18 Th2 -","2","1","","Cheisson, Thibault; Kersey, Kyle D.; Mahieu, Nolwenn; McSkimming, Alex; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Multiple Bonding in Lanthanides and Actinides: Direct Comparison of Covalency in Thorium(IV)- and Cerium(IV)-Imido Complexes.","Journal of the American Chemical Society","2019","141","23","9185","9190","10.1021/jacs.9b04061","","","0.71073","MoKα","","0.0682","0.0564","","","0.1059","0.11","","","","","","1.161","","","","has coordinates","221813","2020-10-21","18:00:00",""
"4128743","19.401","0.0016","19.4715","0.0016","18.6191","0.0015","90","","97.543","0.004","90","","6972.8","1","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H67 B F24 N4 O4 Th -","- C69 H67 B F24 N4 O4 Th -","- C276 H268 B4 F96 N16 O16 Th4 -","4","1","","Cheisson, Thibault; Kersey, Kyle D.; Mahieu, Nolwenn; McSkimming, Alex; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Multiple Bonding in Lanthanides and Actinides: Direct Comparison of Covalency in Thorium(IV)- and Cerium(IV)-Imido Complexes.","Journal of the American Chemical Society","2019","141","23","9185","9190","10.1021/jacs.9b04061","","","0.71073","MoKα","","0.0575","0.045","","","0.0892","0.0966","","","","","","1.077","","","","has coordinates,has disorder","221813","2020-10-21","18:00:00",""
"4128744","5.5115","0.0001","9.7152","0.0002","8.7681","0.0002","90","","96.864","0.002","90","","466.126","0.017","99.98","0.1","99.98","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Cl O2 -","- C11 H9 Cl O2 -","- C22 H18 Cl2 O4 -","2","1","","Chandgude, Ajay L.; Ren, Xinkun; Fasan, Rudi","Stereodivergent Intramolecular Cyclopropanation Enabled by Engineered Carbene Transferases.","Journal of the American Chemical Society","2019","141","23","9145","9150","10.1021/jacs.9b02700","","x-ray","1.54184","CuKα","","0.0312","0.031","","","0.0804","0.0806","","","","","","1.106","","","","has coordinates","221814","2020-10-21","18:00:00",""
"4128745","5.6119","0.0001","9.6719","0.0002","8.9813","0.0002","90","","97.545","0.002","90","","483.264","0.017","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Br O2 -","- C11 H9 Br O2 -","- C22 H18 Br2 O4 -","2","1","","Chandgude, Ajay L.; Ren, Xinkun; Fasan, Rudi","Stereodivergent Intramolecular Cyclopropanation Enabled by Engineered Carbene Transferases.","Journal of the American Chemical Society","2019","141","23","9145","9150","10.1021/jacs.9b02700","","x-ray","1.54184","CuKα","","0.0412","0.0405","","","0.1097","0.1105","","","","","","1.126","","","","has coordinates","221815","2020-10-21","18:00:00",""
"4128746","5.5659","0.0001","9.7305","0.0002","7.6693","0.0001","90","","92.853","0.001","90","","414.847","0.013","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C22 H20 O4 -","2","1","","Chandgude, Ajay L.; Ren, Xinkun; Fasan, Rudi","Stereodivergent Intramolecular Cyclopropanation Enabled by Engineered Carbene Transferases.","Journal of the American Chemical Society","2019","141","23","9145","9150","10.1021/jacs.9b02700","","x-ray","1.54184","CuKα","","0.0284","0.028","","","0.069","0.0691","","","","","","1.081","","","","has coordinates","221816","2020-10-21","18:00:00",""
"4128747","13.49627","","9.884103","","9.164619","","90","","90","","90","","1222.55","","563","","563","","","","810000","","","","","4","P b c a","-P 2ac 2ab","61","ZIF-4-hPT-II","catena-(tetrakis(μ2-Imidazolato-N,N')-di-zinc(ii) clathrate)","","- C6 H6 N4 Zn -","- C6 H6 N4 Zn -","- C48 H48 N32 Zn8 -","8","1","","Widmer, Remo N.; Lampronti, Giulio I.; Chibani, Siwar; Wilson, Craig W.; Anzellini, Simone; Farsang, Stefan; Kleppe, Annette K.; Casati, Nicola P. M.; MacLeod, Simon G.; Redfern, Simon A. T.; Coudert, François-Xavier; Bennett, Thomas D.","Rich Polymorphism of a Metal-Organic Framework in Pressure-Temperature Space.","Journal of the American Chemical Society","2019","141","23","9330","9337","10.1021/jacs.9b03234","powder diffraction","","0.4246","synchrotron","","0.046","","","","","","","","0.0832","","","","","","","has coordinates","221817","2020-10-21","18:00:00",""
"4128748","14.56659","","14.44478","","15.45102","","90","","90","","90","","3251.07","","313","","313","","","","200000","","","","","4","P b c a","-P 2ac 2ab","61","ZIF-4-cp-II","catena-(tetrakis(μ2-Imidazolato-N,N')-di-zinc(ii) clathrate)","","- C6 H6 N4 Zn -","- C6 H6 N4 Zn -","- C96 H96 N64 Zn16 -","16","2","","Widmer, Remo N.; Lampronti, Giulio I.; Chibani, Siwar; Wilson, Craig W.; Anzellini, Simone; Farsang, Stefan; Kleppe, Annette K.; Casati, Nicola P. M.; MacLeod, Simon G.; Redfern, Simon A. T.; Coudert, François-Xavier; Bennett, Thomas D.","Rich Polymorphism of a Metal-Organic Framework in Pressure-Temperature Space.","Journal of the American Chemical Society","2019","141","23","9330","9337","10.1021/jacs.9b03234","powder diffraction","","0.4246","synchrotron","","0.0627","","","","","","","","23.634","","","","","","","has coordinates","221818","2020-10-21","18:00:00",""
"4128749","18.6187","0.0015","15.7648","0.001","17.9841","0.0011","90","","103.318","0.007","90","","5136.7","0.6","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44 N8 O13 -","- C60 H44 N8 O13 -","- C240 H176 N32 O52 -","4","1","","Wang, Zhifang; Sikdar, Nivedita; Wang, Shi-Qiang; Li, Xia; Yu, Meihui; Bu, Xian-He; Chang, Ze; Zou, Xiaolong; Chen, Yao; Cheng, Peng; Yu, Kuang; Zaworotko, Michael J.; Zhang, Zhenjie","Soft Porous Crystal Based upon Organic Cages That Exhibit Guest-Induced Breathing and Selective Gas Separation.","Journal of the American Chemical Society","2019","141","23","9408","9414","10.1021/jacs.9b04319","","x-ray","0.71073","MoKα","","0.1983","0.0908","","","0.172","0.2233","","","","","","1.039","","","","has coordinates","221819","2020-10-21","18:00:00",""
"4128750","20.7759","0.0007","15.7504","0.0006","18.2205","0.0006","90","","97.372","0.003","90","","5913","0.4","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H46 Cl4 N8 O12 -","- C62 H46 Cl4 N8 O12 -","- C248 H184 Cl16 N32 O48 -","4","1","","Wang, Zhifang; Sikdar, Nivedita; Wang, Shi-Qiang; Li, Xia; Yu, Meihui; Bu, Xian-He; Chang, Ze; Zou, Xiaolong; Chen, Yao; Cheng, Peng; Yu, Kuang; Zaworotko, Michael J.; Zhang, Zhenjie","Soft Porous Crystal Based upon Organic Cages That Exhibit Guest-Induced Breathing and Selective Gas Separation.","Journal of the American Chemical Society","2019","141","23","9408","9414","10.1021/jacs.9b04319","","","0.71073","MoKα","","0.0976","0.0691","","","0.1728","0.1879","","","","","","1.058","","","","has coordinates","221820","2020-10-21","18:00:00",""
"4128751","5.7307","0.0007","8.2795","0.0011","24.749","0.003","90","","91.3419","0.0017","90","","1174","0.3","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 Cl I O2 -","- C9 H16 Cl I O2 -","- C36 H64 Cl4 I4 O8 -","4","2","","Michalak, Sharon E.; Nam, Sangkil; Kwon, David M.; Horne, David A.; Vanderwal, Christopher D.","A Chlorine-Atom-Controlled Terminal-Epoxide-Initiated Bicyclization Cascade Enables a Synthesis of the Potent Cytotoxins Haterumaimides J and K.","Journal of the American Chemical Society","2019","141","23","9202","9206","10.1021/jacs.9b04702","","","0.71073","MoKα","","0.03","0.0282","","","0.0732","0.0741","","","","","","1.214","","","","has coordinates","221821","2020-10-21","18:00:00",""
"4128752","9.1874","0.0002","13.9904","0.0002","20.1638","0.0003","90","","90","","90","","2591.76","0.08","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11.5 H15.5 Cl1.5 O4.5 -","- C11.5 H15.5 Cl1.5 O4.5 -","- C92 H124 Cl12 O36 -","8","2","","Schuppe, Alexander W.; Zhao, Yizhou; Liu, Yannan; Newhouse, Timothy R.","Total Synthesis of (+)-Granatumine A and Related Bislactone Limonoid Alkaloids via a Pyran to Pyridine Interconversion.","Journal of the American Chemical Society","2019","141","23","9191","9196","10.1021/jacs.9b04508","","","1.54184","CuKα","","0.0353","0.0329","","","0.0827","0.0842","","","","","","1.053","","","","has coordinates","221822","2020-10-21","18:00:00",""
"4128753","9.3675","0.0004","9.8446","0.0004","12.9472","0.0006","89.972","0.003","69.566","0.004","79.485","0.004","1097.47","0.09","93","2","93","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H27 N O6 -","- C26 H27 N O6 -","- C52 H54 N2 O12 -","2","2","","Schuppe, Alexander W.; Zhao, Yizhou; Liu, Yannan; Newhouse, Timothy R.","Total Synthesis of (+)-Granatumine A and Related Bislactone Limonoid Alkaloids via a Pyran to Pyridine Interconversion.","Journal of the American Chemical Society","2019","141","23","9191","9196","10.1021/jacs.9b04508","","","1.54184","CuKα","","0.0284","0.028","","","0.0701","0.0704","","","","","","1.091","","","","has coordinates","221823","2020-10-21","18:00:00",""
"4128754","6.0064","0.0001","12.4392","0.0002","16.1835","0.0003","90","","90","","90","","1209.15","0.04","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Schuppe, Alexander W.; Zhao, Yizhou; Liu, Yannan; Newhouse, Timothy R.","Total Synthesis of (+)-Granatumine A and Related Bislactone Limonoid Alkaloids via a Pyran to Pyridine Interconversion.","Journal of the American Chemical Society","2019","141","23","9191","9196","10.1021/jacs.9b04508","","","1.54184","CuKα","","0.0241","0.0241","","","0.0634","0.0634","","","","","","1.047","","","","has coordinates","221824","2020-10-21","18:00:00",""
"4128755","23.025","0.002","14.4111","0.0013","35.128","0.003","90","","107.619","0.003","90","","11109.2","1.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C106 H86 F24 N4 O P4 -","- C106 H86 F24 N4 O P4 -","- C424 H344 F96 N16 O4 P16 -","4","1","","Li, Yawen; Dong, Yunhong; Cheng, Lin; Qin, Chunyan; Nian, Hao; Zhang, Haiyang; Yu, Yang; Cao, Liping","Aggregation-Induced Emission and Light-Harvesting Function of Tetraphenylethene-Based Tetracationic Dicyclophane.","Journal of the American Chemical Society","2019","141","21","8412","8415","10.1021/jacs.9b02617","","","0.71073","MoKα","","0.175","0.0853","","","0.2166","0.2536","","","","","","0.918","","","","has coordinates,has disorder","221825","2020-10-21","18:00:00",""
"4128756","6.2765","0.0001","11.7617","0.0002","28.306","0.0004","90","","90","","90","","2089.61","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 N O3 Si -","- C20 H35 N O3 Si -","- C80 H140 N4 O12 Si4 -","4","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-Type Alkaloids: Total Syntheses of (-)-Daphlongamine H and (-)-Isodaphlongamine H.","Journal of the American Chemical Society","2019","141","21","8431","8435","10.1021/jacs.9b03576","","","1.54184","CuKα","","0.0373","0.0354","","","0.0933","0.0948","","","","","","1.095","","","","has coordinates","221826","2020-10-21","18:00:00",""
"4128757","8.19798","0.00005","7.89375","0.00004","20.23662","0.0001","90","","99.2147","0.0005","90","","1292.67","0.012","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H43 N O3 Si -","- C27 H43 N O3 Si -","- C54 H86 N2 O6 Si2 -","2","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-Type Alkaloids: Total Syntheses of (-)-Daphlongamine H and (-)-Isodaphlongamine H.","Journal of the American Chemical Society","2019","141","21","8431","8435","10.1021/jacs.9b03576","","","1.54184","CuKα","","0.0559","0.0556","","","0.1517","0.152","","","","","","1.043","","","","has coordinates","221827","2020-10-21","18:00:00",""
"4128758","5.89374","0.00002","26.1462","0.00008","26.91187","0.00008","90","","90","","90","","4147.09","0.02","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H50 N2 O13 S -","- C43 H50 N2 O13 S -","- C172 H200 N8 O52 S4 -","4","1","","Zeng, Jing; Wang, Ruobin; Zhang, Shuxin; Fang, Jing; Liu, Shanshan; Sun, Guangfei; Xu, Bingbing; Xiao, Ying; Fu, Dengxian; Zhang, Wenqi; Hu, Yixin; Wan, Qian","Hydrogen-Bonding-Assisted Exogenous Nucleophilic Reagent Effect for β-Selective Glycosylation of Rare 3-Amino Sugars.","Journal of the American Chemical Society","2019","141","21","8509","8515","10.1021/jacs.9b01862","","x-ray","1.54184","CuKα","","0.0254","0.0251","","","0.0641","0.0643","","","","","","1.044","","","","has coordinates","221828","2020-10-21","18:00:00",""
"4128759","7.62899","0.00005","8.62984","0.00004","47.2575","0.0002","90","","90","","90","","3111.29","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 N4 O13 S2 -","- C27 H36 N4 O13 S2 -","- C108 H144 N16 O52 S8 -","4","1","","Zeng, Jing; Wang, Ruobin; Zhang, Shuxin; Fang, Jing; Liu, Shanshan; Sun, Guangfei; Xu, Bingbing; Xiao, Ying; Fu, Dengxian; Zhang, Wenqi; Hu, Yixin; Wan, Qian","Hydrogen-Bonding-Assisted Exogenous Nucleophilic Reagent Effect for β-Selective Glycosylation of Rare 3-Amino Sugars.","Journal of the American Chemical Society","2019","141","21","8509","8515","10.1021/jacs.9b01862","","x-ray","1.54184","CuKα","","0.0218","0.0217","","","0.0563","0.0564","","","","","","1.054","","","","has coordinates","221829","2020-10-21","18:00:00",""
"4128760","7.6865","0.0003","29.0486","0.0011","8.7393","0.0004","90","","111.856","0.001","90","","1811.07","0.13","298","2","297.7","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H33 N4 O13 S2 -","- C27 H33 N4 O13 S2 -","- C54 H66 N8 O26 S4 -","2","1","","Zeng, Jing; Wang, Ruobin; Zhang, Shuxin; Fang, Jing; Liu, Shanshan; Sun, Guangfei; Xu, Bingbing; Xiao, Ying; Fu, Dengxian; Zhang, Wenqi; Hu, Yixin; Wan, Qian","Hydrogen-Bonding-Assisted Exogenous Nucleophilic Reagent Effect for β-Selective Glycosylation of Rare 3-Amino Sugars.","Journal of the American Chemical Society","2019","141","21","8509","8515","10.1021/jacs.9b01862","","","0.71073","MoKα","","0.1236","0.1164","","","0.3172","0.3235","","","","","","2.6665","","","","has coordinates","221830","2020-10-21","18:00:00",""
"4128761","13.877","0.0002","13.877","0.0002","12.2284","0.0002","90","","90","","90","","2354.84","0.06","100","2","100","2","","","","","","","","4","P -4","P -4","81","","","","- C27 H36 Fe N2 -","- C27 H36 Fe N2 -","- C108 H144 Fe4 N8 -","4","1","","Kennedy, C. Rose; Zhong, Hongyu; Macaulay, Rachel L.; Chirik, Paul J.","Regio- and Diastereoselective Iron-Catalyzed [4+4]-Cycloaddition of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","21","8557","8573","10.1021/jacs.9b02443","","","1.54178","CuKα","","0.0724","0.0594","","","0.1196","0.1255","","","","","","1.201","","","","has coordinates","221831","2020-10-21","18:00:00",""
"4128762","10.7415","0.0003","30.1238","0.0008","8.1904","0.0002","90","","96.802","0.002","90","","2631.55","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Fe N2 -","- C30 H40 Fe N2 -","- C120 H160 Fe4 N8 -","4","1","","Kennedy, C. Rose; Zhong, Hongyu; Macaulay, Rachel L.; Chirik, Paul J.","Regio- and Diastereoselective Iron-Catalyzed [4+4]-Cycloaddition of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","21","8557","8573","10.1021/jacs.9b02443","","","1.54178","CuKα","","0.1761","0.1418","","","0.2395","0.2583","","","","","","1.145","","","","has coordinates","221831","2020-10-21","18:00:00",""
"4128763","9.6392","0.0006","9.8763","0.0006","18.4278","0.0012","88.863","0.002","80.655","0.002","77.495","0.002","1689.76","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 Fe N4 -","- C38 H48 Fe N4 -","- C76 H96 Fe2 N8 -","2","1","","Kennedy, C. Rose; Zhong, Hongyu; Macaulay, Rachel L.; Chirik, Paul J.","Regio- and Diastereoselective Iron-Catalyzed [4+4]-Cycloaddition of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","21","8557","8573","10.1021/jacs.9b02443","","","0.71073","MoKα","","0.15","0.0947","","","0.1484","0.1695","","","","","","1.128","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4128764","17.2244","0.0009","23.3339","0.0012","14.9504","0.0007","90","","97.969","0.002","90","","5950.7","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H42 Fe N4 -","- C34.5 H42 Fe N4 -","- C276 H336 Fe8 N32 -","8","1","","Kennedy, C. Rose; Zhong, Hongyu; Macaulay, Rachel L.; Chirik, Paul J.","Regio- and Diastereoselective Iron-Catalyzed [4+4]-Cycloaddition of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","21","8557","8573","10.1021/jacs.9b02443","","","0.71073","MoKα","","0.1517","0.0983","","","0.1734","0.196","","","","","","1.063","","","","has coordinates","221831","2020-10-21","18:00:00",""
"4128765","13.2598","0.0004","20.1582","0.0007","14.9573","0.0005","90","","115.941","0.002","90","","3595.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 Fe N4 -","- C42 H52 Fe N4 -","- C168 H208 Fe4 N16 -","4","1","","Kennedy, C. Rose; Zhong, Hongyu; Macaulay, Rachel L.; Chirik, Paul J.","Regio- and Diastereoselective Iron-Catalyzed [4+4]-Cycloaddition of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","21","8557","8573","10.1021/jacs.9b02443","","","1.54178","CuKα","","0.1548","0.1114","","","0.226","0.2487","","","","","","1.086","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4128766","16.216","0.0008","11.9385","0.0006","16.7276","0.0009","90","","117.879","0.002","90","","2862.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H42 Fe N2 O Si2 -","- C27 H42 Fe N2 O Si2 -","- C108 H168 Fe4 N8 O4 Si8 -","4","1","","Kennedy, C. Rose; Zhong, Hongyu; Macaulay, Rachel L.; Chirik, Paul J.","Regio- and Diastereoselective Iron-Catalyzed [4+4]-Cycloaddition of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","21","8557","8573","10.1021/jacs.9b02443","","","0.71073","MoKα","","0.0682","0.0502","","","0.1021","0.1119","","","","","","1.086","","","","has coordinates","221831","2020-10-21","18:00:00",""
"4128767","6.2983","0.0001","6.2983","0.0001","6.2983","0.0001","90","","90","","90","","249.845","0.007","293","","293","","","","","","","","","5","P m -3 m","-P 4 2 3","221","formamidinium methylamonium lead tin iodide","","","- C I3 N2.857 Pb0.48 Sn0.521 -","- C I3 N2.8566 Pb0.4799 Sn0.5209 -","- C I3 N2.8566 Pb0.4799 Sn0.5209 -","1","0.0208333","","Ke, Weijun; Spanopoulos, Ioannis; Tu, Qing; Hadar, Ido; Li, Xiaotong; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Ethylenediammonium-Based ""Hollow"" Pb/Sn Perovskites with Ideal Band Gap Yield Solar Cells with Higher Efficiency and Stability.","Journal of the American Chemical Society","2019","141","21","8627","8637","10.1021/jacs.9b03662","","x-ray","0.71073","MoKα","","0.0193","0.0193","","","0.0696","0.0696","","","","2.72","2.72","2.72","","","","has coordinates","221832","2020-10-21","18:00:00",""
"4128768","10.0988","0.0002","11.366","0.0001","14.0353","0.0002","90","","108.385","0.002","90","","1528.78","0.04","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H48 Br F6 N2 P5 Re -","- C20 H48 Br F6 N2 P5 Re -","- C40 H96 Br2 F12 N4 P10 Re2 -","2","0.5","","Shanahan, James P.; Szymczak, Nathaniel K.","Hydrogen Bonding to a Dinitrogen Complex at Room Temperature: Impacts on N<sub>2</sub> Activation.","Journal of the American Chemical Society","2019","141","21","8550","8556","10.1021/jacs.9b02288","","x-ray","1.54184","CuKα","","0.0406","0.0403","","","0.1127","0.1129","","","","","","1.22","","","","has coordinates,has disorder","221833","2020-10-21","18:00:00",""
"4128769","35.0246","0.0012","12.2516","0.0004","16.0092","0.0006","90","","107.546","0.001","90","","6550.1","0.4","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H50 N2 O3 P2 Ru -","- C27 H50 N2 O3 P2 Ru -","- C216 H400 N16 O24 P16 Ru8 -","8","1","","Mathis, Cheryl L.; Geary, Jackson; Ardon, Yotam; Reese, Maxwell S.; Philliber, Mallory A.; VanderLinden, Ryan T.; Saouma, Caroline T.","Thermodynamic Analysis of Metal-Ligand Cooperativity of PNP Ru Complexes: Implications for CO<sub>2</sub> Hydrogenation to Methanol and Catalyst Inhibition.","Journal of the American Chemical Society","2019","141","36","14317","14328","10.1021/jacs.9b06760","","","0.71073","MoKα","","0.0411","0.0284","","","0.0696","0.074","","","","","","1.029","","","","has coordinates","221834","2020-10-21","18:00:00",""
"4128770","16.3158","0.0005","12.7484","0.0004","18.5646","0.0006","90","","91.285","0.001","90","","3860.5","0.2","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H118 K2 N2 O10 P4 Ru2 -","- C66 H118 K2 N2 O10 P4 Ru2 -","- C132 H236 K4 N4 O20 P8 Ru4 -","2","1","","Mathis, Cheryl L.; Geary, Jackson; Ardon, Yotam; Reese, Maxwell S.; Philliber, Mallory A.; VanderLinden, Ryan T.; Saouma, Caroline T.","Thermodynamic Analysis of Metal-Ligand Cooperativity of PNP Ru Complexes: Implications for CO<sub>2</sub> Hydrogenation to Methanol and Catalyst Inhibition.","Journal of the American Chemical Society","2019","141","36","14317","14328","10.1021/jacs.9b06760","","","0.71073","MoKα","","0.0577","0.0483","","","0.1217","0.1275","","","","","","1.044","","","","has coordinates,has disorder","221834","2020-10-21","18:00:00",""
"4128771","20.262","0.002","20.262","0.002","20.262","0.002","90","","90","","90","","8318.5","1.4","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C16 H16 Cu N10 O4 -","- C16 H16 Cu N10 O4 -","- C192 H192 Cu12 N120 O48 -","12","0.5","","Corella-Ochoa, M Nieves; Tapia, Jesús B; Rubin, Heather N.; Lillo, Vanesa; González-Cobos, Jesús; Núñez-Rico, José Luis; Balestra, Salvador R. G.; Almora-Barrios, Neyvis; Lledós, Marina; Güell-Bara, Arnau; Cabezas-Giménez, Juanjo; Escudero-Adán, Eduardo C; Vidal-Ferran, Anton; Calero, Sofía; Reynolds, Melissa; Martí-Gastaldo, Carlos; Galán-Mascarós, José Ramón","Homochiral Metal-Organic Frameworks for Enantioselective Separations in Liquid Chromatography.","Journal of the American Chemical Society","2019","141","36","14306","14316","10.1021/jacs.9b06500","","","0.71073","MoKα","","0.0444","0.0333","","","0.0812","0.0854","","","","","","1.076","","","","has coordinates","221835","2020-10-21","18:00:00",""
"4128772","20.12","0.004","20.12","0.004","20.12","0.004","90","","90","","90","","8145","3","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C8 H15 Cu0.5 N5 O5.5 -","- C8 H14.9997 Cu0.5 N5 O5.49985 -","- C192 H359.993 Cu12 N120 O131.996 -","24","1","","Corella-Ochoa, M Nieves; Tapia, Jesús B; Rubin, Heather N.; Lillo, Vanesa; González-Cobos, Jesús; Núñez-Rico, José Luis; Balestra, Salvador R. G.; Almora-Barrios, Neyvis; Lledós, Marina; Güell-Bara, Arnau; Cabezas-Giménez, Juanjo; Escudero-Adán, Eduardo C; Vidal-Ferran, Anton; Calero, Sofía; Reynolds, Melissa; Martí-Gastaldo, Carlos; Galán-Mascarós, José Ramón","Homochiral Metal-Organic Frameworks for Enantioselective Separations in Liquid Chromatography.","Journal of the American Chemical Society","2019","141","36","14306","14316","10.1021/jacs.9b06500","","","0.71073","MoKα","","0.0323","0.0307","","","0.0829","0.0838","","","","","","1.105","","","","has coordinates,has disorder","221836","2020-10-21","18:00:00",""
"4128773","20.172","0.002","20.172","0.002","20.172","0.002","90","","90","","90","","8208.2","1.4","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C16 H25.33 Cu N10 O8.67 -","- C16 H25.3332 Cu N10 O8.6666 -","- C192 H303.998 Cu12 N120 O103.999 -","12","0.5","","Corella-Ochoa, M Nieves; Tapia, Jesús B; Rubin, Heather N.; Lillo, Vanesa; González-Cobos, Jesús; Núñez-Rico, José Luis; Balestra, Salvador R. G.; Almora-Barrios, Neyvis; Lledós, Marina; Güell-Bara, Arnau; Cabezas-Giménez, Juanjo; Escudero-Adán, Eduardo C; Vidal-Ferran, Anton; Calero, Sofía; Reynolds, Melissa; Martí-Gastaldo, Carlos; Galán-Mascarós, José Ramón","Homochiral Metal-Organic Frameworks for Enantioselective Separations in Liquid Chromatography.","Journal of the American Chemical Society","2019","141","36","14306","14316","10.1021/jacs.9b06500","","","0.71073","MoKα","","0.0642","0.0456","","","0.1189","0.1263","","","","","","1.054","","","","has coordinates,has disorder","221837","2020-10-21","18:00:00",""
"4128774","20.1133","0.0007","20.1133","0.0007","20.1133","0.0007","90","","90","","90","","8136.7","0.5","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C16 H28.67 Cu N10 O9.67 -","- C16 H28.666 Cu N10 O9.6666 -","- C192 H343.992 Cu12 N120 O115.999 -","12","0.5","","Corella-Ochoa, M Nieves; Tapia, Jesús B; Rubin, Heather N.; Lillo, Vanesa; González-Cobos, Jesús; Núñez-Rico, José Luis; Balestra, Salvador R. G.; Almora-Barrios, Neyvis; Lledós, Marina; Güell-Bara, Arnau; Cabezas-Giménez, Juanjo; Escudero-Adán, Eduardo C; Vidal-Ferran, Anton; Calero, Sofía; Reynolds, Melissa; Martí-Gastaldo, Carlos; Galán-Mascarós, José Ramón","Homochiral Metal-Organic Frameworks for Enantioselective Separations in Liquid Chromatography.","Journal of the American Chemical Society","2019","141","36","14306","14316","10.1021/jacs.9b06500","","","0.71073","MoKα","","0.0374","0.0332","","","0.0995","0.1018","","","","","","1.14","","","","has coordinates,has disorder","221838","2020-10-21","18:00:00",""
"4128775","28.6282","0.0014","28.6282","0.0014","25.6439","0.0012","90","","90","","120","","18201.3","1.5","100","2","100.02","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C120 H60 Hf6 N12 O32 -","- C120 H60 Hf6 N12 O32 -","- C240 H120 Hf12 N24 O64 -","2","0.0833333","","Zhao, Yanming; Qi, Shibo; Niu, Zheng; Peng, Yunlei; Shan, Chuan; Verma, Gaurav; Wojtas, Lukasz; Zhang, Zhenjie; Zhang, Bao; Feng, Yaqing; Chen, Yu-Sheng; Ma, Shengqian","Robust Corrole-Based Metal-Organic Frameworks with Rare 9-Connected Zr/Hf-Oxo Clusters.","Journal of the American Chemical Society","2019","141","36","14443","14450","10.1021/jacs.9b07700","","","0.41328","synchrotron","","0.1384","0.0879","","","0.2468","0.3126","","","","","","1.04","","","","has coordinates,has disorder","221839","2020-10-21","18:00:00",""
"4128776","28.6282","0.0014","28.6282","0.0014","25.6439","0.0012","90","","90","","120","","18201.3","1.5","100","2","100.02","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C120 H60 N12 O32 Zr6 -","- C118.5 H60 N12 O32 Zr6 -","- C237 H120 N24 O64 Zr12 -","2","0.0833333","","Zhao, Yanming; Qi, Shibo; Niu, Zheng; Peng, Yunlei; Shan, Chuan; Verma, Gaurav; Wojtas, Lukasz; Zhang, Zhenjie; Zhang, Bao; Feng, Yaqing; Chen, Yu-Sheng; Ma, Shengqian","Robust Corrole-Based Metal-Organic Frameworks with Rare 9-Connected Zr/Hf-Oxo Clusters.","Journal of the American Chemical Society","2019","141","36","14443","14450","10.1021/jacs.9b07700","","","1.54178","CuKα","","0.1144","0.0871","","","0.2788","0.3285","","","","","","1.192","","","","has coordinates,has disorder","221840","2020-10-21","18:00:00",""
"4128777","7.2319","0.0006","16.6606","0.0015","19.395","0.0017","90","","90","","90","","2336.9","0.4","125","2","125","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 F3 N2 O3 P S -","- C23 H24 F3 N2 O3 P S -","- C92 H96 F12 N8 O12 P4 S4 -","4","1","","Lundrigan, Travis; Welsh, Erin N.; Hynes, Toren; Tien, Chieh-Hung; Adams, Matt R.; Roy, Kayelani R.; Robertson, Katherine N.; Speed, Alexander W. H.","Enantioselective Imine Reduction Catalyzed by Phosphenium Ions.","Journal of the American Chemical Society","2019","141","36","14083","14088","10.1021/jacs.9b07293","","","0.71073","MoKα","","0.0427","0.0339","","","0.0754","0.0796","","","","","","1.015","","","","has coordinates","221841","2020-10-21","18:00:00",""
"4128778","8.7349","0.0007","15.7636","0.0012","19.3258","0.0015","90","","90","","90","","2661","0.4","125","2","125","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 F3 N2 O3 P S -","- C27 H24 F3 N2 O3 P S -","- C108 H96 F12 N8 O12 P4 S4 -","4","1","","Lundrigan, Travis; Welsh, Erin N.; Hynes, Toren; Tien, Chieh-Hung; Adams, Matt R.; Roy, Kayelani R.; Robertson, Katherine N.; Speed, Alexander W. H.","Enantioselective Imine Reduction Catalyzed by Phosphenium Ions.","Journal of the American Chemical Society","2019","141","36","14083","14088","10.1021/jacs.9b07293","","","0.71073","MoKα","","0.0262","0.0243","","","0.0613","0.0625","","","","","","1.04","","","","has coordinates,has disorder","221842","2020-10-21","18:00:00",""
"4128779","6.4655","0.001","11.5138","0.0018","23.247","0.004","90","","90","","90","","1730.6","0.5","125","2","125","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 F2 N O2 S -","- C20 H17 F2 N O2 S -","- C80 H68 F8 N4 O8 S4 -","4","1","","Lundrigan, Travis; Welsh, Erin N.; Hynes, Toren; Tien, Chieh-Hung; Adams, Matt R.; Roy, Kayelani R.; Robertson, Katherine N.; Speed, Alexander W. H.","Enantioselective Imine Reduction Catalyzed by Phosphenium Ions.","Journal of the American Chemical Society","2019","141","36","14083","14088","10.1021/jacs.9b07293","","","0.71073","MoKα","","0.0484","0.0357","","","0.0711","0.0752","","","","","","1.018","","","","has coordinates","221843","2020-10-21","18:00:00",""
"4128780","7.8209","0.0012","14.103","0.002","22.253","0.003","90","","90","","90","","2454.5","0.6","125","2","125","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 F3 N2 O3 P S3 -","- C23 H20 F3 N2 O3 P S3 -","- C92 H80 F12 N8 O12 P4 S12 -","4","1","","Lundrigan, Travis; Welsh, Erin N.; Hynes, Toren; Tien, Chieh-Hung; Adams, Matt R.; Roy, Kayelani R.; Robertson, Katherine N.; Speed, Alexander W. H.","Enantioselective Imine Reduction Catalyzed by Phosphenium Ions.","Journal of the American Chemical Society","2019","141","36","14083","14088","10.1021/jacs.9b07293","","","0.71073","MoKα","","0.0348","0.03","","","0.0707","0.0731","","","","","","1.024","","","","has coordinates","221844","2020-10-21","18:00:00",""
"4128781","18.3288","0.0013","23.6315","0.0017","20.2841","0.0015","90","","104.271","0.001","90","","8514.7","1.1","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C189 H268 Pb4 -","- C189 H268 Pb4 -","- C378 H536 Pb8 -","2","0.5","","Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P.","Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.","Journal of the American Chemical Society","2019","141","36","14370","14383","10.1021/jacs.9b07072","","","0.71073","MoKα","","0.0489","0.0283","","","0.0576","0.0644","","","","","","1.005","","","","has coordinates,has disorder","221845","2020-10-21","18:00:00",""
"4128782","14.946","0.002","19.052","0.003","28.498","0.004","90","","98.929","0.002","90","","8016","2","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H122 Br2 Pb2 -","- C84 H122 Br2 Pb2 -","- C336 H488 Br8 Pb8 -","4","1","","Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P.","Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.","Journal of the American Chemical Society","2019","141","36","14370","14383","10.1021/jacs.9b07072","","","0.71073","MoKα","","0.0287","0.0216","","","0.0441","0.0456","","","","","","1.055","","","","has coordinates,has disorder","221846","2020-10-21","18:00:00",""
"4128783","9.1688","0.0008","12.7083","0.0011","13.0164","0.0012","64.295","0.001","81.679","0.001","69.572","0.001","1280.6","0.2","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H74 Pb2 -","- C60 H74 Pb2 -","- C60 H74 Pb2 -","1","0.5","","Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P.","Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.","Journal of the American Chemical Society","2019","141","36","14370","14383","10.1021/jacs.9b07072","","","0.71073","MoKα","","0.0268","0.0232","","","0.0597","0.0611","","","","","","1.081","","","","has coordinates","221847","2020-10-21","18:00:00",""
"4128784","11.4812","0.0012","25.639","0.003","12.8116","0.0014","90","","114.588","0.0013","90","","3429.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H100 O Pb2 Si2 -","- C70 H100 O Pb2 Si2 -","- C140 H200 O2 Pb4 Si4 -","2","0.5","","Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P.","Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.","Journal of the American Chemical Society","2019","141","36","14370","14383","10.1021/jacs.9b07072","","","0.71073","MoKα","","0.0174","0.0162","","","0.0408","0.0413","","","","","","1.034","","","","has coordinates,has disorder","221848","2020-10-21","18:00:00",""
"4128785","11.3682","0.0009","12.7595","0.001","12.9493","0.001","94.563","0.0012","103.15","0.001","114.102","0.001","1637.9","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H90 Br2 Pb2 Si2 -","- C66 H90 Br2 Pb2 Si2 -","- C66 H90 Br2 Pb2 Si2 -","1","0.5","","Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P.","Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.","Journal of the American Chemical Society","2019","141","36","14370","14383","10.1021/jacs.9b07072","","","0.71073","MoKα","","0.0416","0.0402","","","0.1091","0.11","","","","","","1.051","","","","has coordinates","221849","2020-10-21","18:00:00",""
"4128786","20.3372","0.0017","18.4518","0.0014","38.674","0.003","90","","90.3948","0.0015","90","","14512","2","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C84 H122 Pb2 -","- C84 H122 Pb2 -","- C672 H976 Pb16 -","8","1","","Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P.","Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.","Journal of the American Chemical Society","2019","141","36","14370","14383","10.1021/jacs.9b07072","","","0.71073","MoKα","","0.0734","0.042","","","0.0783","0.0863","","","","","","0.975","","","","has coordinates","221850","2020-10-21","18:00:00",""
"4128787","14.6489","0.0014","26.975","0.003","22.733","0.002","90","","105.484","0.0013","90","","8657","1.5","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H122 Br2 Pb2 -","- C84 H122 Br2 Pb2 -","- C336 H488 Br8 Pb8 -","4","0.5","","Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P.","Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.","Journal of the American Chemical Society","2019","141","36","14370","14383","10.1021/jacs.9b07072","","","0.71073","MoKα","","0.0658","0.0372","","","0.0788","0.0882","","","","","","0.986","","","","has coordinates","221851","2020-10-21","18:00:00",""
"4128788","13.826","0.0005","20.1133","0.0008","20.2739","0.0009","90","","90","","90","","5637.9","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H96 Cr Li2 O13 Si4 -","- C44 H96 Cr Li2 O13 Si4 -","- C176 H384 Cr4 Li8 O52 Si16 -","4","1","","Wind, Marie-Louise; Hoof, Santina; Braun-Cula, Beatrice; Herwig, Christian; Limberg, Christian","Switching from a Chromium(IV) Peroxide to a Chromium(III) Superoxide upon Coordination of a Donor in the trans Position.","Journal of the American Chemical Society","2019","141","36","14068","14072","10.1021/jacs.9b06826","","","0.71073","MoKα","","0.0526","0.0454","","","0.1162","0.1216","","","","","","1.012","","","","has coordinates,has disorder","221852","2020-10-21","18:00:00",""
"4128789","11.1725","0.0004","17.4237","0.0007","18.9652","0.0008","90","","90.838","0.001","90","","3691.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H48 Cl3 Cr Li5 O9 Si4 -","- C20 H48 Cl3 Cr Li5 O9 Si4 -","- C80 H192 Cl12 Cr4 Li20 O36 Si16 -","4","1","","Wind, Marie-Louise; Hoof, Santina; Braun-Cula, Beatrice; Herwig, Christian; Limberg, Christian","Switching from a Chromium(IV) Peroxide to a Chromium(III) Superoxide upon Coordination of a Donor in the trans Position.","Journal of the American Chemical Society","2019","141","36","14068","14072","10.1021/jacs.9b06826","","","0.71073","MoKα","","0.0449","0.0312","","","0.0692","0.0747","","","","","","1.01","","","","has coordinates","221853","2020-10-21","18:00:00",""
"4128790","17.014","0.003","16.181","0.003","18.608","0.004","90","","90","","90","","5122.8","1.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H88 Cr Li2 O10 Si4 -","- C40 H88 Cr Li2 O10 Si4 -","- C160 H352 Cr4 Li8 O40 Si16 -","4","0.5","","Wind, Marie-Louise; Hoof, Santina; Braun-Cula, Beatrice; Herwig, Christian; Limberg, Christian","Switching from a Chromium(IV) Peroxide to a Chromium(III) Superoxide upon Coordination of a Donor in the trans Position.","Journal of the American Chemical Society","2019","141","36","14068","14072","10.1021/jacs.9b06826","","","0.71073","MoKα","","0.0458","0.0393","","","0.0965","0.1017","","","","","","1.031","","","","has coordinates","221854","2020-10-21","18:00:00",""
"4128791","13.949","0.003","9.712","0.002","19.552","0.005","90","","110.621","0.004","90","","2479.1","1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H33 N3 O4.25 S Si -","- C21 H33 N3 O4.25 S Si -","- C84 H132 N12 O17 S4 Si4 -","4","2","","Pompeo, Matthew M.; Cheah, Jaime H.; Movassaghi, Mohammad","Total Synthesis and Anti-Cancer Activity of All Known Communesin Alkaloids and Related Derivatives.","Journal of the American Chemical Society","2019","141","36","14411","14420","10.1021/jacs.9b07397","","","0.71073","MoKα","","0.0844","0.0503","","","0.1051","0.1208","","","","","","1.05","","","","has coordinates,has disorder","221855","2020-10-21","18:00:00",""
"4128792","7.9317","0.0005","15.4939","0.0011","13.8939","0.0011","90","","92.123","0.004","90","","1706.3","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H48 N4 O5 S Si -","- C34 H48 N4 O5 S Si -","- C68 H96 N8 O10 S2 Si2 -","2","1","","Pompeo, Matthew M.; Cheah, Jaime H.; Movassaghi, Mohammad","Total Synthesis and Anti-Cancer Activity of All Known Communesin Alkaloids and Related Derivatives.","Journal of the American Chemical Society","2019","141","36","14411","14420","10.1021/jacs.9b07397","","","1.54178","CuKα","","0.0794","0.0665","","","0.1736","0.1861","","","","","","1.067","","","","has coordinates,has disorder","221856","2020-10-21","18:00:00",""
"4128793","7.8618","0.0001","17.7249","0.0003","27.6554","0.0005","90","","90","","90","","3853.77","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H48 N4 O4 S Si -","- C37 H48 N4 O4 S Si -","- C148 H192 N16 O16 S4 Si4 -","4","1","","Pompeo, Matthew M.; Cheah, Jaime H.; Movassaghi, Mohammad","Total Synthesis and Anti-Cancer Activity of All Known Communesin Alkaloids and Related Derivatives.","Journal of the American Chemical Society","2019","141","36","14411","14420","10.1021/jacs.9b07397","","","1.54178","CuKα","","0.0332","0.0312","","","0.0827","0.0843","","","","","","1.061","","","","has coordinates,has disorder","221857","2020-10-21","18:00:00",""
"4128794","8.1852","0.0002","30.4869","0.0007","31.5036","0.0008","90","","90","","90","","7861.5","0.3","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H45 N3 O8 -","- C39 H45 N3 O8 -","- C312 H360 N24 O64 -","8","2","","Boon, Byron A.; Boger, Dale L.","Triarylaminium Radical Cation Promoted Coupling of Catharanthine with Vindoline: Diastereospecific Synthesis of Anhydrovinblastine and Reaction Scope.","Journal of the American Chemical Society","2019","141","36","14349","14355","10.1021/jacs.9b06968","","x-ray","1.54178","CuKα","","0.0813","0.0506","","","0.1043","0.1161","","","","","","0.963","","","","has coordinates","221858","2020-10-21","18:00:00",""
"4128795","10.6544","0.0001","15.3909","0.0002","10.7835","0.0001","90","","96.457","0.001","90","","1757.07","0.03","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H47 N3 O9 -","- C39 H47 N3 O9 -","- C78 H94 N6 O18 -","2","1","","Boon, Byron A.; Boger, Dale L.","Triarylaminium Radical Cation Promoted Coupling of Catharanthine with Vindoline: Diastereospecific Synthesis of Anhydrovinblastine and Reaction Scope.","Journal of the American Chemical Society","2019","141","36","14349","14355","10.1021/jacs.9b06968","","x-ray","1.54178","CuKα","","0.0243","0.0243","","","0.0642","0.0643","","","","","","1.029","","","","has coordinates,has disorder","221859","2020-10-21","18:00:00",""
"4128796","6.678","0.0003","9.4722","0.0004","13.577","0.0006","72.958","0.002","83.61","0.002","77.293","0.002","799.99","0.06","100","","99.99","","","","","","","","","3","P -1","-P 1","2","","(3aS*,5aR*,9aR*)-3-acetyl-2-hydroxy-3a,6,6,9a-tetramethyl-1,3a,4,5,5a,6,8,9,9a,9b-decahydro-7H-cyclopenta[a]naphthalen-7-one","","- C19 H28 O3 -","- C19 H28 O3 -","- C38 H56 O6 -","2","1","","Boyko, Yaroslav D.; Huck, Christopher J.; Sarlah, David","Total Synthesis of Isomalabaricane Triterpenoids.","Journal of the American Chemical Society","2019","141","36","14131","14135","10.1021/jacs.9b08487","","x-ray","0.71073","MoKα","","0.0507","0.0427","","","0.1018","0.1074","","","","","","1.035","","","","has coordinates","221860","2020-10-21","18:00:00",""
"4128797","7.2188","0.0003","10.7692","0.0004","39.2149","0.0014","90","","93.005","0.001","90","","3044.4","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","rel-(R)-1-((4aR,6S,8aS)-2,5,5,8a-tetramethyl-6-((triisopropylsilyl)oxy)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)prop-2-yn-1-yl pivalate","","- C31 H54 O3 Si -","- C31 H54 O3 Si -","- C124 H216 O12 Si4 -","4","1","","Boyko, Yaroslav D.; Huck, Christopher J.; Sarlah, David","Total Synthesis of Isomalabaricane Triterpenoids.","Journal of the American Chemical Society","2019","141","36","14131","14135","10.1021/jacs.9b08487","","x-ray","0.71073","MoKα","","0.0688","0.0607","","","0.1733","0.1823","","","","","","1.108","","","","has coordinates,has disorder","221861","2020-10-21","18:00:00",""
"4128798","5.93927","","5.93927","","5.93927","","90","","90","","90","","209.507","","300","","300","","","","","","","","synthetic","3","F m -3 m","-F 4 2 3","225","","","","- Li2.33 P Si0.17 -","- Li2.33318 P Si0.16658 -","- Li9.33272 P4 Si0.66632 -","4","0.0208333","","Strangmüller, Stefan; Eickhoff, Henrik; Müller, David; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; Kirchhain, Holger; Sedlmeier, Christian; Baran, Volodymyr; Senyshyn, Anatoliy; Deringer, Volker L.; van Wüllen, Leo; Gasteiger, Hubert A.; Fässler, Thomas F","Fast Ionic Conductivity in the Most Lithium-Rich Phosphidosilicate Li<sub>14</sub>SiP<sub>6</sub>.","Journal of the American Chemical Society","2019","141","36","14200","14209","10.1021/jacs.9b05301","powder diffraction","neutron","1.54817","ConstantWavelengthNeutronDiffraction","","","","","","","","","9.1189","2.5959","","","","","","","has coordinates","221862","2020-10-21","18:00:00",""
"4128799","5.9253","0.0007","5.9253","0.0007","5.9253","0.0007","90","","90","","90","","208.03","0.04","123","2","123","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Li2.33 P Si0.17 -","- Li2.3334 P Si0.1666 -","- Li9.3336 P4 Si0.6664 -","4","0.0208333","","Strangmüller, Stefan; Eickhoff, Henrik; Müller, David; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; Kirchhain, Holger; Sedlmeier, Christian; Baran, Volodymyr; Senyshyn, Anatoliy; Deringer, Volker L.; van Wüllen, Leo; Gasteiger, Hubert A.; Fässler, Thomas F","Fast Ionic Conductivity in the Most Lithium-Rich Phosphidosilicate Li<sub>14</sub>SiP<sub>6</sub>.","Journal of the American Chemical Society","2019","141","36","14200","14209","10.1021/jacs.9b05301","","","0.71073","MoKα","","0.0523","0.041","","","0.0861","0.0907","","","","","","1.182","","","","has coordinates","221863","2020-10-21","18:00:00",""
"4128800","5.91566","0.00006","5.91566","0.00006","5.91566","0.00006","90","","90","","90","","207.019","0.004","4","","4","","","","","","","","synthetic","3","F m -3 m","-F 4 2 3","225","","","","- Li2.33 P Si0.17 -","- Li2.337 P Si0.1668 -","- Li9.348 P4 Si0.6672 -","4","0.0208333","","Strangmüller, Stefan; Eickhoff, Henrik; Müller, David; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; Kirchhain, Holger; Sedlmeier, Christian; Baran, Volodymyr; Senyshyn, Anatoliy; Deringer, Volker L.; van Wüllen, Leo; Gasteiger, Hubert A.; Fässler, Thomas F","Fast Ionic Conductivity in the Most Lithium-Rich Phosphidosilicate Li<sub>14</sub>SiP<sub>6</sub>.","Journal of the American Chemical Society","2019","141","36","14200","14209","10.1021/jacs.9b05301","powder diffraction","neutron","1.5482","ConstantWavelengthNeutronDiffraction","","","","","","","","","11.528","3.6614","","","","","","","has coordinates","221865","2020-10-21","18:00:00",""
"4128801","16.5756","0.0009","15.8984","0.0007","17.2953","0.001","90","","118.081","0.007","90","","4021.2","0.4","300.15","","300.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cl2 Fe N8 O12 -","- C38 H32 Cl2 Fe N8 O12 -","- C152 H128 Cl8 Fe4 N32 O48 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu","Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex.","Journal of the American Chemical Society","2019","141","36","14384","14393","10.1021/jacs.9b07204","","x-ray","0.71073","MoKα","","0.0733","0.0445","","","0.1173","0.1289","","","","","","1.055","","","","has coordinates,has disorder","221866","2020-10-21","18:00:00",""
"4128802","16.8192","0.0011","15.8059","0.0008","17.0759","0.0011","90","","117.852","0.008","90","","4013.6","0.5","25","","25","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C144 H104 As8 Cl8 F48 Fe4 N32 O8 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu","Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex.","Journal of the American Chemical Society","2019","141","36","14384","14393","10.1021/jacs.9b07204","","x-ray","0.71073","MoKα","","0.1062","0.0655","","","0.1285","0.1489","","","","","","1.037","","","","has coordinates,has disorder","221867","2020-10-21","18:00:00",""
"4128803","16.3409","0.0008","15.5665","0.0005","16.8955","0.0008","90","","117.187","0.006","90","","3822.9","0.4","150.15","","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cl2 Fe N8 O12 -","- C38 H32 Cl2 Fe N8 O12 -","- C152 H128 Cl8 Fe4 N32 O48 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu","Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex.","Journal of the American Chemical Society","2019","141","36","14384","14393","10.1021/jacs.9b07204","","x-ray","0.71073","MoKα","","0.0688","0.0524","","","0.1352","0.1436","","","","","","1.066","","","","has coordinates","221868","2020-10-21","18:00:00",""
"4128804","16.4896","0.0006","16.0053","0.0004","16.6301","0.0006","90","","116.615","0.005","90","","3924","0.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C144 H104 As8 Cl8 F48 Fe4 N32 O8 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu","Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex.","Journal of the American Chemical Society","2019","141","36","14384","14393","10.1021/jacs.9b07204","","x-ray","0.71073","MoKα","","0.0597","0.0465","","","0.1011","0.1086","","","","","","1.062","","","","has coordinates","221869","2020-10-21","18:00:00",""
"4128805","16.5677","0.0003","16.0511","0.0002","16.6587","0.0003","90","","116.445","0.002","90","","3966.5","0.13","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C144 H104 As8 Cl8 F48 Fe4 N32 O8 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu","Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex.","Journal of the American Chemical Society","2019","141","36","14384","14393","10.1021/jacs.9b07204","","x-ray","0.71073","MoKα","","0.0353","0.0297","","","0.07","0.0728","","","","","","1.024","","","","has coordinates","221870","2020-10-21","18:00:00",""
"4128806","16.876","0.0008","16.172","0.0005","17.2329","0.0008","90","","117.797","0.006","90","","4160.5","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C144 H104 As8 Cl8 F48 Fe4 N32 O8 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu","Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex.","Journal of the American Chemical Society","2019","141","36","14384","14393","10.1021/jacs.9b07204","","x-ray","0.71073","MoKα","","0.1279","0.0702","","","0.184","0.2157","","","","","","1.046","","","","has coordinates","221871","2020-10-21","18:00:00",""
"4128807","7.6636","0.0002","9.5929","0.0002","10.8499","0.0002","86.249","0.002","76.166","0.002","79.11","0.002","760.39","0.03","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","2","","Spielmann, Kim; Xiang, Ming; Schwartz, Leyah A.; Krische, Michael J.","Direct Conversion of Primary Alcohols to 1,2-Amino Alcohols: Enantioselective Iridium-Catalyzed Carbonyl Reductive Coupling of Phthalimido-Allene via Hydrogen Auto-Transfer.","Journal of the American Chemical Society","2019","141","36","14136","14141","10.1021/jacs.9b08715","","","1.54184","CuKα","","0.0367","0.0357","","","0.0952","0.0961","","","","","","1.048","","","","has coordinates","221872","2020-10-21","18:00:00",""
"4128808","8.3815","0.0002","22.425","0.0002","8.6781","0.0002","90","","117.675","0.002","90","","1444.49","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","2","","Spielmann, Kim; Xiang, Ming; Schwartz, Leyah A.; Krische, Michael J.","Direct Conversion of Primary Alcohols to 1,2-Amino Alcohols: Enantioselective Iridium-Catalyzed Carbonyl Reductive Coupling of Phthalimido-Allene via Hydrogen Auto-Transfer.","Journal of the American Chemical Society","2019","141","36","14136","14141","10.1021/jacs.9b08715","","","1.54184","CuKα","","0.0378","0.0372","","","0.1006","0.1026","","","","","","1.02","","","","has coordinates","221873","2020-10-21","18:00:00",""
"4128809","14.339","0.002","17.764","0.002","18.92","0.003","90","","90","","90","","4819.3","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H55 Ir N2 O7 P2 -","- C58 H55 Ir N2 O7 P2 -","- C232 H220 Ir4 N8 O28 P8 -","4","1","","Spielmann, Kim; Xiang, Ming; Schwartz, Leyah A.; Krische, Michael J.","Direct Conversion of Primary Alcohols to 1,2-Amino Alcohols: Enantioselective Iridium-Catalyzed Carbonyl Reductive Coupling of Phthalimido-Allene via Hydrogen Auto-Transfer.","Journal of the American Chemical Society","2019","141","36","14136","14141","10.1021/jacs.9b08715","","","0.71073","MoKα","","0.0489","0.0377","","","0.0773","0.0806","","","","","","1.024","","","","has coordinates","221874","2020-10-21","18:00:00",""
"4128810","16.136","0.002","17.35","0.002","18.583","0.002","106.541","0.002","105.313","0.002","90.983","0.002","4786.1","1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C176 H230 Au24 N Pt S18 -","- C176 H230 Au24 N Pt S18 -","- C176 H230 Au24 N Pt S18 -","1","0.5","","Suyama, Megumi; Takano, Shinjiro; Nakamura, Toshikazu; Tsukuda, Tatsuya","Stoichiometric Formation of Open-Shell [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>-</sup> via Spontaneous Electron Proportionation between [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>2-</sup> and [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>0</sup>.","Journal of the American Chemical Society","2019","141","36","14048","14051","10.1021/jacs.9b06254","","","0.71075","MoKα","","0.045","0.0383","","","0.0693","0.0724","","","","","","1.082","","","","has coordinates,has disorder","221875","2020-10-21","18:00:00",""
"4128811","16.134","0.002","17.69","0.002","17.7811","0.0018","65.139","0.006","64.59","0.007","81.463","0.009","4156","0.9","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C158 H178 Au24 Pt S18 -","- C158 H178 Au24 Pt S18 -","- C158 H178 Au24 Pt S18 -","1","0.5","","Suyama, Megumi; Takano, Shinjiro; Nakamura, Toshikazu; Tsukuda, Tatsuya","Stoichiometric Formation of Open-Shell [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>-</sup> via Spontaneous Electron Proportionation between [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>2-</sup> and [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>0</sup>.","Journal of the American Chemical Society","2019","141","36","14048","14051","10.1021/jacs.9b06254","","","0.71075","MoKα","","0.0538","0.0473","","","0.0861","0.0892","","","","","","1.11","","","","has coordinates,has disorder","221876","2020-10-21","18:00:00",""
"4128812","22.837","0.005","34.096","0.007","29.287","0.007","90","","90.867","0.007","90","","22802","9","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C208 H298 Au24 N2 Pt S18 -","- C208 H298 Au24 N2 Pt S18 -","- C832 H1192 Au96 N8 Pt4 S72 -","4","0.5","","Suyama, Megumi; Takano, Shinjiro; Nakamura, Toshikazu; Tsukuda, Tatsuya","Stoichiometric Formation of Open-Shell [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>-</sup> via Spontaneous Electron Proportionation between [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>2-</sup> and [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>0</sup>.","Journal of the American Chemical Society","2019","141","36","14048","14051","10.1021/jacs.9b06254","","","1.54187","CuKα","","0.0701","0.0634","","","0.162","0.1676","","","","","","1.139","","","","has coordinates","221877","2020-10-21","18:00:00",""
"4128813","52.6707","0.0006","18.785","0.0002","17.85193","0.00018","90","","90","","90","","17663","0.3","150","0.1","150","0.1","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C100 H120 B6 F24 N26 O6 Zn3 -","- C100 H120 B6 F24 N26 O6 Zn3 -","- C600 H720 B36 F144 N156 O36 Zn18 -","6","1.5","","Zhong, Jiankang; Zhang, Liang; August, David P.; Whitehead, George F. S.; Leigh, David A.","Self-Sorting Assembly of Molecular Trefoil Knots of Single Handedness.","Journal of the American Chemical Society","2019","141","36","14249","14256","10.1021/jacs.9b06127","","x-ray","1.54184","CuKα","","0.0767","0.0708","","","0.2005","0.207","","","","","","1.05","","","","has coordinates,has disorder","221878","2020-10-21","18:00:00",""
"4128814","51.9276","0.0007","18.8837","0.0002","18.2355","0.0002","90","","90","","90","","17881.5","0.4","100","0.2","100","0.2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C251 H287 B18 F72 N54 O18 Zn9 -","- C251 H287 B18 F72 N54 O18 Zn9 -","- C502 H574 B36 F144 N108 O36 Zn18 -","2","0.5","","Zhong, Jiankang; Zhang, Liang; August, David P.; Whitehead, George F. S.; Leigh, David A.","Self-Sorting Assembly of Molecular Trefoil Knots of Single Handedness.","Journal of the American Chemical Society","2019","141","36","14249","14256","10.1021/jacs.9b06127","","","0.6889","synchrotron","","0.1384","0.1001","","","0.2847","0.3229","","","","","","1.094","","","","has coordinates,has disorder","221879","2020-10-21","18:00:00",""
"4128815","17.4608","0.001","20.0262","0.0006","17.657","0.0012","90","","113.308","0.007","90","","5670.3","0.6","149.99","0.1","149.99","0.1","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C98 H114 B3 Co3 F12 N22 O12 -","- C98 H114 B3 Co3 F12 N22 O12 -","- C196 H228 B6 Co6 F24 N44 O24 -","2","0.5","","Zhong, Jiankang; Zhang, Liang; August, David P.; Whitehead, George F. S.; Leigh, David A.","Self-Sorting Assembly of Molecular Trefoil Knots of Single Handedness.","Journal of the American Chemical Society","2019","141","36","14249","14256","10.1021/jacs.9b06127","","x-ray","1.54184","CuKα","","0.1383","0.12","","","0.3169","0.3485","","","","","","1.453","","","","has coordinates,has disorder","221880","2020-10-21","18:00:00",""
"4128816","13.0079","0.0006","14.5518","0.0005","18.7581","0.0007","67.779","0.004","76.113","0.004","79.561","0.003","3174.7","0.2","150","2","150.01","0.1","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C48 H24 O6 -","- C48 H24 O6 -","- C96 H48 O12 -","2","1","","Martínez-Abadía, Marta; Stoppiello, Craig T.; Strutynski, Karol; Lerma-Berlanga, Belén; Martí-Gastaldo, Carlos; Saeki, Akinori; Melle-Franco, Manuel; Khlobystov, Andrei N.; Mateo-Alonso, Aurelio","A Wavy Two-Dimensional Covalent Organic Framework from Core-Twisted Polycyclic Aromatic Hydrocarbons.","Journal of the American Chemical Society","2019","141","36","14403","14410","10.1021/jacs.9b07383","","x-ray","1.54184","CuKα","","0.0989","0.0784","","","0.2489","0.2681","","","","","","1.033","","","","has coordinates","221881","2020-10-21","18:00:00",""
"4128817","16.188","0.005","6.624","0.002","13.52","0.006","90","","90","","90","","1449.7","0.9","110","","110","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 H4 Al O7.61 -","- C8 H5 Al O6.998 -","- C32 H20 Al4 O27.992 -","4","0.25","","Chen, Shoushun; Mukherjee, Soumya; Lucier, Bryan E. G.; Guo, Ying; Wong, Y. T. Angel; Terskikh, Victor V.; Zaworotko, Michael J.; Huang, Yining","Cleaving Carboxyls: Understanding Thermally Triggered Hierarchical Pores in the Metal-Organic Framework MIL-121.","Journal of the American Chemical Society","2019","141","36","14257","14271","10.1021/jacs.9b06194","","","0.71073","MoKα","","0.0765","0.0665","","","0.1912","0.1975","","","","","","1.452","","","","has coordinates,has disorder","221882","2020-10-21","18:00:00",""
"4128818","3.8605","0.0002","3.8605","0.0002","15.8008","0.0003","90","","90","","90","","235.487","0.018","293","","293","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Fe4 N0.42 Se4.48 -","- Fe4 N0.416 Se4.48 -","- Fe4 N0.416 Se4.48 -","1","0.03125","","Sun, Ruijin; Jin, Shifeng; Gu, Lin; Zhang, Qinghua; Huang, Qingzhen; Ying, Tianping; Peng, YiRan; Deng, Jun; Yin, Zhiping; Chen, Xiaolong","Intercalating Anions between Terminated Anion Layers: Unusual Ionic S-Se Bonds and Hole-Doping Induced Superconductivity in S<sub>0.24</sub>(NH<sub>3</sub>)<sub>0.26</sub>Fe<sub>2</sub>Se<sub>2</sub>.","Journal of the American Chemical Society","2019","141","35","13849","13857","10.1021/jacs.9b05899","","x-ray","0.71069","MoKα","","0.047","0.048","","","0.103","0.103","","","","1.33","1.33","1.33","","","","has coordinates","221883","2020-10-21","18:00:00",""
"4128819","3.8528","0.0002","3.8528","0.0002","15.233","0.0003","90","","90","","90","","226.12","0.017","293","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Fe4 N0.48 S0.24 Se4 -","- Fe4 N0.48 S0.24 Se4 -","- Fe4 N0.48 S0.24 Se4 -","1","0.03125","","Sun, Ruijin; Jin, Shifeng; Gu, Lin; Zhang, Qinghua; Huang, Qingzhen; Ying, Tianping; Peng, YiRan; Deng, Jun; Yin, Zhiping; Chen, Xiaolong","Intercalating Anions between Terminated Anion Layers: Unusual Ionic S-Se Bonds and Hole-Doping Induced Superconductivity in S<sub>0.24</sub>(NH<sub>3</sub>)<sub>0.26</sub>Fe<sub>2</sub>Se<sub>2</sub>.","Journal of the American Chemical Society","2019","141","35","13849","13857","10.1021/jacs.9b05899","","x-ray","0.71069","MoKα","","0.0269","0.0267","","","0.068","0.068","","","","1.169","1.169","1.169","","","","has coordinates","221884","2020-10-21","18:00:00",""
"4128820","17.1722","0.0002","6.3329","0.0001","21.8632","0.0003","90","","102.144","0.001","90","","2324.41","0.06","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 N O4 -","- C24 H33 N O4 -","- C96 H132 N4 O16 -","4","1","","Shu, Wei; García-Domínguez, Andrés; Quirós, M Teresa; Mondal, Rahul; Cárdenas, Diego J; Nevado, Cristina","Ni-Catalyzed Reductive Dicarbofunctionalization of Nonactivated Alkenes: Scope and Mechanistic Insights.","Journal of the American Chemical Society","2019","141","35","13812","13821","10.1021/jacs.9b02973","","x-ray","1.54184","CuKα","","0.0432","0.0385","","","0.1026","0.1073","","","","","","1.06","","","","has coordinates","221885","2020-10-21","18:00:00",""
"4128821","16.03406","0.00016","5.88869","0.00005","18.24264","0.00014","90","","91.1868","0.0008","90","","1722.09","0.03","160","2","160","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C35 H49 N O8 -","- C35 H49 N O8 -","- C70 H98 N2 O16 -","2","1","","Shu, Wei; García-Domínguez, Andrés; Quirós, M Teresa; Mondal, Rahul; Cárdenas, Diego J; Nevado, Cristina","Ni-Catalyzed Reductive Dicarbofunctionalization of Nonactivated Alkenes: Scope and Mechanistic Insights.","Journal of the American Chemical Society","2019","141","35","13812","13821","10.1021/jacs.9b02973","","x-ray","1.54184","CuKα","","0.0284","0.0278","","","0.0755","0.0766","","","","","","1.034","","","","has coordinates,has disorder","221886","2020-10-21","18:00:00",""
"4128822","12.0361","0.0004","15.2317","0.0006","16.9141","0.0007","94.8002","0.0015","102.961","0.0014","92.4223","0.0012","3005.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C77.88 H69.7 B2 Cl N4 -","- C77.885 H69.705 B2 Cl N4 -","- C155.77 H139.41 B4 Cl2 N8 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1636","0.0772","","","0.1641","0.2106","","","","","","1.028","","","","has coordinates,has disorder","221887","2020-10-21","18:00:00",""
"4128823","19.5364","0.0005","16.2465","0.0004","18.3739","0.0004","90","","110.386","0.0013","90","","5466.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H55 B2 Cl F4 N4 -","- C66 H55 B2 Cl F4 N4 -","- C264 H220 B8 Cl4 F16 N16 -","4","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1076","0.0785","","","0.2048","0.2315","","","","","","1.035","","","","has coordinates,has disorder","221888","2020-10-21","18:00:00",""
"4128824","7.9791","0.0002","13.3099","0.0003","24.0035","0.0005","88.605","0.001","82.443","0.001","87.184","0.001","2523.59","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H50 B2 Cl F3 N4 -","- C60 H50 B2 Cl F3 N4 -","- C120 H100 B4 Cl2 F6 N8 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1052","0.0748","","","0.2193","0.2504","","","","","","1.028","","","","has coordinates,has disorder","221889","2020-10-21","18:00:00",""
"4128825","14.2653","0.0005","15.3826","0.0005","15.3931","0.0005","96.7682","0.0012","99.396","0.0013","107.461","0.0012","3128.59","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H77 B2 Cl2 N5 -","- C74 H77 B2 Cl2 N5 -","- C148 H154 B4 Cl4 N10 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1109","0.0637","","","0.1326","0.1602","","","","","","1.032","","","","has coordinates,has disorder","221890","2020-10-21","18:00:00",""
"4128826","11.6604","0.0007","15.3379","0.0009","19.2293","0.0011","72.822","0.002","81.704","0.002","86.546","0.002","3250.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C83.5 H75 B2 Cl N4 -","- C83.5 H75 B2 Cl N4 -","- C167 H150 B4 Cl2 N8 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1299","0.0741","","","0.1822","0.2207","","","","","","1.033","","","","has coordinates,has disorder","221891","2020-10-21","18:00:00",""
"4128827","19.6907","0.0006","14.3623","0.0003","19.9646","0.0006","90","","98.5582","0.0012","90","","5583.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H59 B2 Cl F6 N4 O -","- C66 H59 B2 Cl F6 N4 O -","- C264 H236 B8 Cl4 F24 N16 O4 -","4","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1436","0.0759","","","0.1394","0.1689","","","","","","1.066","","","","has coordinates,has disorder","221892","2020-10-21","18:00:00",""
"4128828","19.0799","0.0008","16.0622","0.0007","18.6758","0.0007","90","","110.76","0.0018","90","","5351.9","0.4","119","2","119","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H50 B2 Cl3 F5 N4 -","- C61 H50 B2 Cl3 F5 N4 -","- C244 H200 B8 Cl12 F20 N16 -","4","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1451","0.0764","","","0.1885","0.2268","","","","","","1.027","","","","has coordinates,has disorder","221893","2020-10-21","18:00:00",""
"4128829","7.9297","0.0003","13.2859","0.0005","23.9485","0.0007","88.5324","0.0011","82.9959","0.0011","87.8142","0.0012","2501.84","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H51 B2 Cl2 F N4 -","- C60 H51 B2 Cl2 F N4 -","- C120 H102 B4 Cl4 F2 N8 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1474","0.0711","","","0.149","0.189","","","","","","1.018","","","","has coordinates","221894","2020-10-21","18:00:00",""
"4128830","11.7205","0.0006","28.0408","0.0011","15.0652","0.0006","90","","93.355","0.002","90","","4942.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H53 B2 Cl N4 -","- C60 H53 B2 Cl N4 -","- C240 H212 B8 Cl4 N16 -","4","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1508","0.0654","","","0.1448","0.1879","","","","","","1.01","","","","has coordinates,has disorder","221895","2020-10-21","18:00:00",""
"4128831","12.0725","0.0006","15.2456","0.0009","15.3727","0.0009","102.786","0.002","91.599","0.002","93.628","0.002","2751.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70.85 H62.7 B2 Cl N4 -","- C70.851 H62.702 B2 Cl N4 -","- C141.702 H125.404 B4 Cl2 N8 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1069","0.0573","","","0.1141","0.142","","","","","","1.011","","","","has coordinates,has disorder","221896","2020-10-21","18:00:00",""
"4128832","19.3413","0.0004","16.1624","0.0003","18.4816","0.0005","90","","111.136","0.001","90","","5388.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H50 B2 Cl4 F4 N4 -","- C61 H50 B2 Cl4 F4 N4 -","- C244 H200 B8 Cl16 F16 N16 -","4","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1257","0.059","","","0.1274","0.1566","","","","","","1.026","","","","has coordinates,has disorder","221897","2020-10-21","18:00:00",""
"4128833","11.9887","0.0003","13.3305","0.0004","16.2603","0.0005","90.7115","0.001","100.257","0.001","101.531","0.001","2502.4","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H64 B N5 -","- C61 H64 B N5 -","- C122 H128 B2 N10 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.0747","0.0527","","","0.1282","0.1481","","","","","","1.044","","","","has coordinates","221898","2020-10-21","18:00:00",""
"4128834","13.1184","0.0004","13.2082","0.0004","25.291","0.0008","87.7958","0.0017","87.8829","0.0016","89.479","0.0018","4375.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H47 B2 Cl N4 -","- C54 H47 B2 Cl N4 -","- C216 H188 B8 Cl4 N16 -","4","2","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","1.54178","CuKα","","0.1005","0.0914","","","0.2424","0.2547","","","","","","1.034","","","","has coordinates,has disorder","221899","2020-10-21","18:00:00",""
"4128835","12.2016","0.0011","15.2052","0.0014","17.0465","0.0016","96.263","0.002","97.224","0.002","92.9468","0.0019","3112","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C82.5 H71 B2 Cl N4 -","- C82.5 H71 B2 Cl N4 -","- C165 H142 B4 Cl2 N8 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.2109","0.0932","","","0.2249","0.2743","","","","","","0.981","","","","has coordinates,has disorder","221900","2020-10-21","18:00:00",""
"4128836","16.2643","0.0005","18.3466","0.0005","17.5397","0.0006","90","","99.7639","0.0012","90","","5157.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H55 B2 Cl3 N4 -","- C61 H55 B2 Cl3 N4 -","- C244 H220 B8 Cl12 N16 -","4","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1091","0.0618","","","0.1455","0.179","","","","","","1.036","","","","has coordinates,has disorder","221901","2020-10-21","18:00:00",""
"4128837","6.1503","0.0012","12.927","0.003","21.54","0.004","90","","90.01","0.03","90","","1712.5","0.6","113","","113","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H28 N2 O2 -","- C42 H28 N2 O2 -","- C84 H56 N4 O4 -","2","0.5","","Li, Yusen; Chen, Qing; Xu, Tiantian; Xie, Zhen; Liu, Jingjuan; Yu, Xiang; Ma, Shengqian; Qin, Tianshi; Chen, Long","De Novo Design and Facile Synthesis of 2D Covalent Organic Frameworks: A Two-in-One Strategy.","Journal of the American Chemical Society","2019","141","35","13822","13828","10.1021/jacs.9b03463","","","0.71073","MoKα","","0.1589","0.083","","","0.179","0.2174","","","","","","0.951","","","","has coordinates","221902","2020-10-21","18:00:00",""
"4128838","12.73","0.0009","8.7313","0.0006","20.2583","0.0014","90","","94.11","0.004","90","","2245.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","KO001","","","- C28 H35 N O4 -","- C28 H35 N O4 -","- C112 H140 N4 O16 -","4","1","","Owens, Kyle R.; McCowen, Shelby V.; Blackford, Katherine A.; Ueno, Sohei; Hirooka, Yasuo; Weber, Manuel; Sarpong, Richmond","Total Synthesis of the Diterpenoid Alkaloid Arcutinidine Using a Strategy Inspired by Chemical Network Analysis.","Journal of the American Chemical Society","2019","141","35","13713","13717","10.1021/jacs.9b05815","","","0.71073","MoKα","","0.0523","0.0462","","","0.1205","0.1255","","","","","","1.046","","","","has coordinates","221903","2020-10-21","18:00:00",""
"4128839","19.4305","0.0017","11.3245","0.0011","9.1511","0.0009","90","","95.302","0.005","90","","2005","0.3","298","","298","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","TGF beta","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C88 H76 N20 O4 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","powder diffraction","","1.5418","","","","","","","","","","","8.603","","","","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128840","8.2116","0.0011","11.5104","0.0014","11.8746","0.0018","102.001","0.01","105.368","0.011","102.349","0.009","1014.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C44 H38 N10 O2 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.2542","0.1506","","","0.3149","0.3669","","","","","","1.027","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128841","7.7119","0.0014","8.9111","0.0017","14.617","0.002","81.906","0.013","78.799","0.014","75.258","0.015","948.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C44 H38 N10 O2 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0701","0.0598","","","0.1348","0.1421","","","","","","1.139","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128842","18.9981","0.0011","9.8532","0.0006","21.8829","0.0013","90","","113.219","0.003","90","","3764.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C176 H152 N40 O8 -","8","2","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0541","0.0416","","","0.0947","0.1011","","","","","","1.032","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128843","8.2599","0.0003","19.6072","0.0014","12.6913","0.0006","90","","116.545","0.002","90","","1838.73","0.17","298","2","298","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","TGF beta","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C88 H76 N20 O4 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","powder diffraction","","","","","","","","","","","","","2.783","","","","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128844","10.727","0.0003","14.4711","0.0005","12.705","0.0004","90","","107.112","0.0017","90","","1884.91","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C88 H76 N20 O4 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0632","0.0521","","","0.1391","0.1489","","","","","","1.088","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128845","8.134","0.002","12.62","0.004","18.059","0.003","86.707","0.019","100.094","0.015","83.303","0.019","1806.9","0.8","298","","298","2","","","","","","","see text","4","P -1","-P 1","2","TGF beta","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C88 H76 N20 O4 -","4","2","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","powder diffraction","","1.5418","","","","","","","","","","","4.23","","","","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128846","8.5537","0.0002","11.3718","0.0004","11.5674","0.0005","65.784","0.003","105.495","0.003","77.315","0.002","916.89","0.07","298","","298","","","","","","","","see text","4","P -1","-P 1","2","TGF Beta","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C44 H38 N10 O2 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","powder diffraction","x-ray","1.54081","CuKα~1~","","","","","","","","","","3.164","","","","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128847","11.3011","0.0003","20.8473","0.0005","8.10637","0.00017","90","","98.879","0.002","90","","1886.95","0.08","298","","298","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","TGF beta","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C88 H76 N20 O4 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","powder diffraction","","1.5418","","","","","","","","","","","3.86","","","","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128848","27.938","0.004","8.0817","0.0007","22.004","0.003","90","","133.55","0.03","90","","3601","2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C176 H152 N40 O8 -","8","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","x-ray","1.54184","CuKα","","0.1078","0.0681","","","0.1535","0.1761","","","","","","1.068","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128849","27.654","0.013","8.108","0.008","21.934","0.011","90","","133.41","0.08","90","","3573","6","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C176 H152 N40 O8 -","8","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","x-ray","0.4859","Synchrotron","","0.2209","0.1157","","","0.2699","0.35","","","","","","1.105","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128850","8.0458","0.0004","22.6024","0.001","11.2097","0.0005","90","","106.274","0.002","90","","1956.85","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N5 O2 -","- C23 H23 N5 O2 -","- C92 H92 N20 O8 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0501","0.0468","","","0.121","0.1247","","","","","","1.075","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128851","8.082","0.0004","9.258","0.0004","15.525","0.0007","73.338","0.002","89.974","0.002","84.594","0.002","1107.48","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF Beta","","","- C24 H25 N5 O2 -","- C24 H25 N5 O2 -","- C48 H50 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0474","0.0431","","","0.1094","0.113","","","","","","1.004","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128852","9.0505","0.0007","11.3624","0.0009","19.1323","0.0016","90","","94.954","0.003","90","","1960.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N5 O2 -","- C22 H21 N5 O2 -","- C88 H84 N20 O8 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","0.71073","MoKα","","0.0916","0.063","","","0.1317","0.1437","","","","","","1.035","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128853","7.772","0.0011","11.8319","0.0018","12.8267","0.0017","89.03","0.009","74.293","0.008","82.225","0.01","1124.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF Beta","","","- C25 H27 N5 O2 -","- C25 H27 N5 O2 -","- C50 H54 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0927","0.0576","","","0.1152","0.128","","","","","","1.041","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128854","8.1145","0.0008","12.0611","0.0013","12.5401","0.0013","88.454","0.005","79.842","0.004","76.813","0.005","1176.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF Beta","","","- C26 H29 N5 O2 -","- C26 H29 N5 O2 -","- C52 H58 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0454","0.0416","","","0.1053","0.1083","","","","","","1.012","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128855","8.1676","0.0002","11.9112","0.0003","12.7014","0.0003","89.4745","0.0011","81.236","0.0014","75.9211","0.0011","1184.05","0.05","100","2","100","2","","","","","","","","4","P 1","P 1","1","TGF beta","","","- C26 H29 N5 O2 -","- C26 H29 N5 O2 -","- C52 H58 N10 O4 -","2","2","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0544","0.0486","","","0.1258","0.1324","","","","","","0.997","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128856","8.0879","0.0006","12.3578","0.0009","12.8909","0.0009","85.722","0.003","77.875","0.003","74.707","0.003","1214.83","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF Beta","","","- C27 H31 N5 O2 -","- C27 H31 N5 O2 -","- C54 H62 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0405","0.0369","","","0.0908","0.0934","","","","","","1.006","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128857","10.6011","0.0008","11.6654","0.0009","12.5667","0.0009","69.035","0.003","86.603","0.002","81.573","0.002","1435.49","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF Beta","","","- C30 H35 N5 O5 -","- C30 H35 N5 O5 -","- C60 H70 N10 O10 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0364","0.0349","","","0.0871","0.0882","","","","","","1.006","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128858","7.7332","0.0003","11.4956","0.0004","12.1986","0.0004","85.299","0.002","84.505","0.002","85.518","0.002","1073.11","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF beta","","","- C24 H25 N5 O3 -","- C24 H25 N5 O3 -","- C48 H50 N10 O6 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0451","0.0378","","","0.0925","0.0968","","","","","","1.019","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128859","8.6946","0.0004","10.964","0.0004","12.9344","0.0005","77.737","0.0016","88.5612","0.0017","79.1558","0.0019","1183.21","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF beta","","","- C26 H28 N6 O2 -","- C26 H28 N6 O2 -","- C52 H56 N12 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0695","0.0654","","","0.1692","0.1772","","","","","","1.08","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128860","8.3929","0.0007","11.7452","0.0009","12.0347","0.001","92.483","0.003","106.415","0.004","97.071","0.004","1125.52","0.16","101","2","101","2","","","","","","","","4","P -1","-P 1","2","TGF Beta","","","- C26 H27 N5 O2 -","- C26 H27 N5 O2 -","- C52 H54 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0533","0.0453","","","0.1267","0.1306","","","","","","1.625","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128861","8.4961","0.0008","10.3766","0.001","12.7043","0.0012","103.239","0.005","91.904","0.005","94.505","0.005","1085.37","0.18","101","2","101","2","","","","","","","","5","P -1","-P 1","2","TGF beta","","","- C23 H21 Cl2 N5 O -","- C23 H21 Cl2 N5 O -","- C46 H42 Cl4 N10 O2 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0667","0.0538","","","0.1286","0.1378","","","","","","1.028","","","","has coordinates,has disorder","221904","2020-10-21","18:00:00",""
"4128862","9.8533","0.0007","11.2079","0.0006","11.5743","0.0006","101.869","0.002","105.813","0.002","105.56","0.002","1129.91","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N5 O2 -","- C26 H27 N5 O2 -","- C52 H54 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0534","0.0474","","","0.117","0.1215","","","","","","1.038","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128863","8.184","0.0008","12.0219","0.0012","12.6533","0.0012","89.543","0.006","81.238","0.006","75.349","0.006","1189.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N5 O2 -","- C26 H28 N5 O2 -","- C52 H56 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.1551","0.1397","","","0.3933","0.4038","","","","","","1.083","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128864","8.11","0.0004","11.6569","0.0006","12.7599","0.0006","90.026","0.004","99.248","0.004","101.238","0.004","1167.15","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N5 O2 -","- C24 H25 N5 O2 -","- C48 H50 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.1131","0.0807","","","0.187","0.2116","","","","","","1.051","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128865","9.5331","0.0011","10.9792","0.0013","11.6291","0.0017","66.668","0.012","65.944","0.008","78.915","0.009","1019.9","0.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N5 O3 -","- C24 H23 N5 O3 -","- C48 H46 N10 O6 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.1389","0.087","","","0.2063","0.2361","","","","","","0.958","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128866","8.048","0.0008","11.4825","0.0013","12.8727","0.0013","89.28","0.007","80.416","0.007","79.313","0.007","1152.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 N5 O2 -","- C25 H24 N5 O2 -","- C50 H48 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.1615","0.1247","","","0.3621","0.3839","","","","","","1.35","","","","has coordinates,has disorder","221904","2020-10-21","18:00:00",""
"4128867","8.5823","0.0011","11.0257","0.0018","12.7778","0.0016","101.925","0.012","92.429","0.011","97.579","0.012","1169.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF beta","","","- C27 H28 N5 O2 -","- C27 H27 N5 O2 -","- C54 H54 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.2279","0.1326","","","0.3086","0.3683","","","","","","1.044","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128868","12.1495","0.0014","8.4511","0.0009","20.111","0.002","90","","93.551","0.007","90","","2061","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TGF beta","","","- C26 H27 N5 O2 -","- C24 H22 N5 O1.5 -","- C96 H88 N20 O6 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0581","0.0412","","","0.0769","0.0884","","","","","","0.616","","","","has coordinates,has disorder","221904","2020-10-21","18:00:00",""
"4128869","9.966","0.0006","33.73","0.002","7.3404","0.0005","90","","106.892","0.002","90","","2361","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TGF beta","","","- C27 H28 N6 O2 -","- C27 H28 N6 O2 -","- C108 H112 N24 O8 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0441","0.0423","","","0.1065","0.1076","","","","","","1.125","","","","has coordinates,has disorder","221904","2020-10-21","18:00:00",""
"4128870","7.2979","0.0002","12.0524","0.0004","23.9963","0.0008","90","","90","","90","","2110.65","0.11","170","2","169.94","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O3 -","- C25 H35 N O3 -","- C100 H140 N4 O12 -","4","1","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.34139","GaKα","","0.0605","0.0532","","","0.1465","0.1535","","","","","","1.069","","","","has coordinates","221905","2020-10-21","18:00:00",""
"4128871","11.5553","0.0005","21.4201","0.0009","26.2735","0.0012","90","","90","","90","","6503.1","0.5","170","2","169.96","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O3 -","- C25 H35 N O3 -","- C300 H420 N12 O36 -","12","3","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.34139","GaKα","","0.1252","0.1","","","0.2648","0.2954","","","","","","1.13","","","","has coordinates,has disorder","221906","2020-10-21","18:00:00",""
"4128872","7.1018","0.0002","13.3284","0.0003","17.4801","0.0004","90","","90","","90","","1654.59","0.07","170","2","169.98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O4 -","- C19 H28 O4 -","- C76 H112 O16 -","4","1","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.34139","GaKα","","0.0284","0.0276","","","0.0702","0.0708","","","","","","1.084","","","","has coordinates","221907","2020-10-21","18:00:00",""
"4128873","7.3364","0.0001","11.6884","0.0002","23.7649","0.0004","90","","90","","90","","2037.86","0.06","170","2","170.04","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N O3 -","- C24 H33 N O3 -","- C96 H132 N4 O12 -","4","1","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.34139","GaKα","","0.0509","0.0382","","","0.078","0.0846","","","","","","1.091","","","","has coordinates","221908","2020-10-21","18:00:00",""
"4128874","7.644","0.0001","13.4193","0.0003","14.4712","0.0003","90","","90","","90","","1484.41","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","1","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.54178","CuKα","","0.0375","0.0356","","","0.092","0.094","","","","","","1.044","","","","has coordinates","221909","2020-10-21","18:00:00",""
"4128875","12.1921","0.0003","15.8104","0.0004","17.6415","0.0004","90","","90","","90","","3400.61","0.14","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C20 H28 N O2.5 -","- C20 H28 N O2.5 -","- C160 H224 N8 O20 -","8","1","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.54178","CuKα","","0.0449","0.0398","","","0.0979","0.1024","","","","","","1.064","","","","has coordinates","221910","2020-10-21","18:00:00",""
"4128876","12.9425","0.0012","8.5046","0.0008","19.818","0.002","90","","96.031","0.01","90","","2169.3","0.4","292.9","0.1","292.9","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23.25 H20.5 F2 N2 O5 -","- C23.25 H20.5 F2 N2 O5 -","- C93 H82 F8 N8 O20 -","4","1","","Wang, Xin-Gang; Li, Yuke; Liu, Hong-Chao; Zhang, Bo-Sheng; Gou, Xue-Ya; Wang, Qiang; Ma, Jun-Wei; Liang, Yong-Min","Three-Component Ruthenium-Catalyzed Direct <i>Meta-</i>Selective C-H Activation of Arenes: A New Approach to the Alkylarylation of Alkenes.","Journal of the American Chemical Society","2019","141","35","13914","13922","10.1021/jacs.9b06608","","x-ray","0.71073","MoKα","","0.2073","0.0861","","","0.187","0.2538","","","","","","1.047","","","","has coordinates,has disorder","221911","2020-10-21","18:00:00",""
"4128877","21.47","0.011","12.655","0.007","7.559","0.004","90","","90","","90","","2053.8","1.9","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H38 N3 Sc -","- C19 H38 N3 Sc -","- C76 H152 N12 Sc4 -","4","1","","Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Trimethylscandium.","Journal of the American Chemical Society","2019","141","35","13931","13940","10.1021/jacs.9b06879","","","0.71073","MoKα","","0.0967","0.0832","","","0.2017","0.2159","","","","","","1.055","","","","has coordinates","221912","2020-10-21","18:00:00",""
"4128878","9.9815","0.0005","40.493","0.002","15.7504","0.0008","90","","91.391","0.001","90","","6364.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H55 Al4 Sc3 -","- C19 H55 Al4 Sc3 -","- C152 H440 Al32 Sc24 -","8","2","","Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Trimethylscandium.","Journal of the American Chemical Society","2019","141","35","13931","13940","10.1021/jacs.9b06879","","","0.71073","MoKα","","0.061","0.0402","","","0.0906","0.1019","","","","","","1.026","","","","has coordinates,has disorder","221913","2020-10-21","18:00:00",""
"4128879","11.21","0.02","14.35","0.03","14.56","0.03","84.12","0.02","89.11","0.02","88.79","0.05","2329","8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H42 Al Sc -","- C24 H42 Al Sc -","- C96 H168 Al4 Sc4 -","4","2","","Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Trimethylscandium.","Journal of the American Chemical Society","2019","141","35","13931","13940","10.1021/jacs.9b06879","","","0.71073","MoKα","","0.0867","0.0516","","","0.1113","0.1265","","","","","","1.014","","","","has coordinates","221914","2020-10-21","18:00:00",""
"4128880","14.335","0.002","16.914","0.003","54.801","0.008","90","","90","","90","","13287","4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H39 Al2 Sc -","- C18 H39 Al2 Sc -","- C432 H936 Al48 Sc24 -","24","6","","Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Trimethylscandium.","Journal of the American Chemical Society","2019","141","35","13931","13940","10.1021/jacs.9b06879","","","0.71073","MoKα","","0.1479","0.1006","","","0.2019","0.2232","","","","","","1.098","","","","has coordinates","221915","2020-10-21","18:00:00",""
"4128881","7.3336","0.0004","19.8137","0.001","17.4587","0.0008","90","","95.903","0.001","90","","2523.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H45 Al4 Sc -","- C15 H45 Al4 Sc -","- C60 H180 Al16 Sc4 -","4","1","","Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Trimethylscandium.","Journal of the American Chemical Society","2019","141","35","13931","13940","10.1021/jacs.9b06879","","","0.71073","MoKα","","0.0494","0.0389","","","0.1091","0.1181","","","","","","1.03","","","","has coordinates","221916","2020-10-21","18:00:00",""
"4128882","7.43535","0.00011","12.70493","0.00017","15.2334","0.0002","90","","90","","90","","1439.03","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C72 H80 O8 -","4","1","","Ma, Dengke; Miao, Chun-Bao; Sun, Jianwei","Catalytic Enantioselective House-Meinwald Rearrangement: Efficient Construction of All-Carbon Quaternary Stereocenters.","Journal of the American Chemical Society","2019","141","35","13783","13787","10.1021/jacs.9b07514","","x-ray","1.54184","CuKα","","0.0247","0.0243","","","0.0614","0.0617","","","","","","1.049","","","","has coordinates","221917","2020-10-21","18:00:00",""
"4128883","9.81945","0.0001","10.42071","0.00011","15.41623","0.00015","90","","90","","90","","1577.48","0.03","100.2","0.4","100.2","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 F3 O2 -","- C19 H17 F3 O2 -","- C76 H68 F12 O8 -","4","1","","Ma, Dengke; Miao, Chun-Bao; Sun, Jianwei","Catalytic Enantioselective House-Meinwald Rearrangement: Efficient Construction of All-Carbon Quaternary Stereocenters.","Journal of the American Chemical Society","2019","141","35","13783","13787","10.1021/jacs.9b07514","","x-ray","1.54184","CuKα","","0.022","0.0219","","","0.0572","0.0573","","","","","","1.019","","","","has coordinates","221918","2020-10-21","18:00:00",""
"4128884","43.4917","0.0016","43.4917","0.0016","43.4917","0.0016","90","","90","","90","","82266","5","298","2","298","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C312 H160 N20 O60 Zn21 -","- C312 H160 N20 O60 Zn21 -","- C936 H480 N60 O180 Zn63 -","3","0.0625","","Qiu, Yu-Chen; Yuan, Shuai; Li, Xiao-Xin; Du, Dong-Ying; Wang, Cong; Qin, Jun-Sheng; Drake, Hannah F.; Lan, Ya-Qian; Jiang, Lei; Zhou, Hong-Cai","Face-Sharing Archimedean Solids Stacking for the Construction of Mixed-Ligand Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","35","13841","13848","10.1021/jacs.9b05580","","x-ray","0.71073","MoKα","","0.1647","0.0819","","","0.1807","0.2106","","","","","","1.084","","","","has coordinates","221919","2020-10-21","18:00:00",""
"4128885","27.4034","0.0007","27.4034","0.0007","27.4034","0.0007","90","","90","","90","","20578.5","0.9","110","","110","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C128 H80 N4 O32 Zr6 -","- C128 H80 N4 O32 Zr6 -","- C384 H240 N12 O96 Zr18 -","3","0.0625","","Qiu, Yu-Chen; Yuan, Shuai; Li, Xiao-Xin; Du, Dong-Ying; Wang, Cong; Qin, Jun-Sheng; Drake, Hannah F.; Lan, Ya-Qian; Jiang, Lei; Zhou, Hong-Cai","Face-Sharing Archimedean Solids Stacking for the Construction of Mixed-Ligand Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","35","13841","13848","10.1021/jacs.9b05580","","x-ray","1.54178","CuKα","","0.196","0.1119","","","0.3075","0.3482","","","","","","1.01","","","","has coordinates,has disorder","221920","2020-10-21","18:00:00",""
"4128886","9.9111","0.0002","19.1719","0.0004","24.772","0.0005","90","","90","","90","","4707.04","0.17","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C27 H32 F N S -","- C27 H32 F N S -","- C216 H256 F8 N8 S8 -","8","1","","Roth, Aaron; Denmark, Scott E.","Enantioselective, Lewis Base-Catalyzed, Intermolecular Sulfenoamination of Alkenes.","Journal of the American Chemical Society","2019","141","35","13767","13771","10.1021/jacs.9b07019","","","1.54178","CuKα","","0.0232","0.0232","","","0.062","0.0621","","","","","","1.075","","","","has coordinates,has disorder","221921","2020-10-21","18:00:00",""
"4128887","17.9066","0.00004","17.9066","0.00004","13.218","0.00006","90","","90","","120","","3670.48","0.02","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C30 H102 Ba Cu6 N6 O56 S3 -","- C30 H18 Ba Cu6 N6 O42 S3 -","- C60 H36 Ba2 Cu12 N12 O84 S6 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Tiburcio, Estefania; Viciano-Chumillas, Marta; Kalinke, Lucas H. G.; Ferrando-Soria, Jesús; Armentano, Donatella; Pardo, Emilio","Multivariate Metal-Organic Frameworks for the Simultaneous Capture of Organic and Inorganic Contaminants from Water.","Journal of the American Chemical Society","2019","141","34","13601","13609","10.1021/jacs.9b06250","","","0.6889","Synchrotron","","0.0821","0.0601","","","0.177","0.1897","","","","","","0.944","","","","has coordinates,has disorder","221922","2020-10-21","18:00:00",""
"4128888","17.969","0.004","17.969","0.004","12.949","0.004","90","","90","","120","","3620.9","1.6","296","2","296","2","","","","","","","","9","P 63","P 6c","173","","","","- C42 H70 Ca Cl3 Cu6 Hg N7 O30 S4 -","- C41.9988 H21 Ca Cl1.9998 Cu6 Hg0.9999 N6.9999 O30 S3.9999 -","- C83.9976 H42 Ca2 Cl3.9996 Cu12 Hg1.9998 N13.9998 O60 S7.9998 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Tiburcio, Estefania; Viciano-Chumillas, Marta; Kalinke, Lucas H. G.; Ferrando-Soria, Jesús; Armentano, Donatella; Pardo, Emilio","Multivariate Metal-Organic Frameworks for the Simultaneous Capture of Organic and Inorganic Contaminants from Water.","Journal of the American Chemical Society","2019","141","34","13601","13609","10.1021/jacs.9b06250","","","0.71073","MoKα","","0.112","0.0826","","","0.2409","0.2735","","","","","","1.032","","","","has coordinates","221923","2020-10-21","18:00:00",""
"4128889","17.7932","0.0012","17.7932","0.0012","12.7581","0.0008","90","","90","","120","","3498","0.4","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C30 H100 Ca Cu6 N6 O55 S3 -","- C30 H33 Ca Cu6 N6 O37.5 S3 -","- C60 H66 Ca2 Cu12 N12 O75 S6 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Tiburcio, Estefania; Viciano-Chumillas, Marta; Kalinke, Lucas H. G.; Ferrando-Soria, Jesús; Armentano, Donatella; Pardo, Emilio","Multivariate Metal-Organic Frameworks for the Simultaneous Capture of Organic and Inorganic Contaminants from Water.","Journal of the American Chemical Society","2019","141","34","13601","13609","10.1021/jacs.9b06250","","","0.71073","MoKα","","0.0704","0.0601","","","0.1831","0.1923","","","","","","1.058","","","","has coordinates","221924","2020-10-21","18:00:00",""
"4128890","10.1878","0.0016","7.9625","0.0015","19.59","0.003","90","","99.557","0.007","90","","1567.1","0.5","149","2","149","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N4 O3 -","- C15 H20 N4 O3 -","- C60 H80 N16 O12 -","4","2","","Glachet, Thomas; Marzag, Hamid; Saraiva Rosa, Nathalie; Colell, Johannes F. P.; Zhang, Guannan; Warren, Warren S.; Franck, Xavier; Theis, Thomas; Reboul, Vincent","Iodonitrene in Action: Direct Transformation of Amino Acids into Terminal Diazirines and <sup>15</sup>N<sub>2</sub>-Diazirines and Their Application as Hyperpolarized Markers.","Journal of the American Chemical Society","2019","141","34","13689","13696","10.1021/jacs.9b07035","","","0.71073","MoKα","","0.1439","0.0778","","","0.1634","0.1944","","","","","","1.024","","","","has coordinates","221925","2020-10-21","18:00:00",""
"4128891","22.6783","0.001","19.0664","0.0008","27.5418","0.0011","90","","106.247","0.002","90","","11433.3","0.8","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C125.82 H130.19 B Cl2.45 Fe4 N3 O1.27 P3 S4 -","- C125.816 H130.176 B Cl2.456 Fe4 N3 O1.272 P3 S4 -","- C503.264 H520.704 B4 Cl9.824 Fe16 N12 O5.088 P12 S16 -","4","1","","Ye, Mengshan; Thompson, Niklas B.; Brown, Alexandra C.; Suess, Daniel L. M.","A Synthetic Model of Enzymatic [Fe<sub>4</sub>S<sub>4</sub>]-Alkyl Intermediates.","Journal of the American Chemical Society","2019","141","34","13330","13335","10.1021/jacs.9b06975","","","0.71073","MoKα","","0.094","0.0527","","","0.1277","0.153","","","","","","1.012","","","","has coordinates,has disorder","221926","2020-10-21","18:00:00",""
"4128892","16.597","0.004","30.822","0.008","22.933","0.006","90","","95.023","0.008","90","","11686","5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C130 H141 B Fe4 N3 O2 P3 S4 -","- C130 H141 B Fe4 N3 O2 P3 S4 -","- C520 H564 B4 Fe16 N12 O8 P12 S16 -","4","1","","Ye, Mengshan; Thompson, Niklas B.; Brown, Alexandra C.; Suess, Daniel L. M.","A Synthetic Model of Enzymatic [Fe<sub>4</sub>S<sub>4</sub>]-Alkyl Intermediates.","Journal of the American Chemical Society","2019","141","34","13330","13335","10.1021/jacs.9b06975","","","0.71073","MoKα","","0.0915","0.0493","","","0.1079","0.1268","","","","","","1.04","","","","has coordinates,has disorder","221927","2020-10-21","18:00:00",""
"4128893","44.713","0.003","44.713","0.003","47.217","0.005","90","","90","","120","","81752","12","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C80 H183 Mo2 N5 O60 Te W16 -","- C23.175 Mo1.9998 N2.475 O60 Te W16.0002 -","- C556.2 Mo47.9952 N59.4 O1440 Te24 W384.005 -","24","1.33333","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.143","0.0772","","","0.2088","0.2747","","","","","","1.075","","","","has coordinates","221928","2020-10-21","18:00:00",""
"4128894","20.577","0.002","21.446","0.002","25.391","0.003","90","","90","","90","","11205","2","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C22 H119 Mo3 N11 Na O96 Se2 W21 -","- C8.7 Mo3 N4.5 Na0.4 O85.7 Se2 W21 -","- C34.8 Mo12 N18 Na1.6 O342.8 Se8 W84 -","4","0.5","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.0966","0.0754","","","0.1888","0.2179","","","","","","1.258","","","","has coordinates,has disorder","221929","2020-10-21","18:00:00",""
"4128895","35.244","0.002","21.9528","0.0013","15.0516","0.0008","90","","90","","90","","11645.5","1.1","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C20 H113 Mo3 N10 Na2 O96 P2 W21 -","- C3.9 Mo3 N2.9 Na1.4 O96.5 P2.14 W20.79 -","- C15.6 Mo12 N11.6 Na5.6 O386 P8.56 W83.16 -","4","0.5","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.1443","0.1167","","","0.2465","0.2791","","","","","","1.193","","","","has coordinates,has disorder","221930","2020-10-21","18:00:00",""
"4128896","35.22","0.003","22.1684","0.0019","15.0386","0.0011","90","","90","","90","","11741.7","1.7","150","2","150","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C22 H120 Mo3 N11 Na O96 P Te W21 -","- C14.4 H Mo3 N9.2 Na O95.2 P Te W21 -","- C57.6 H4 Mo12 N36.8 Na4 O380.8 P4 Te4 W84 -","4","0.5","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.12","0.1084","","","0.2465","0.2562","","","","","","1.203","","","","has coordinates,has disorder","221931","2020-10-21","18:00:00",""
"4128897","21.1678","0.0009","21.1678","0.0009","15.6954","0.0014","90","","90","","120","","6090.5","0.7","150","2","150","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C14 H79 Mo2 N7 O70 Te W16 -","- C7.2 Mo1.9998 N3.6 O62.4 Te W16.0002 -","- C21.6 Mo5.9994 N10.8 O187.2 Te3 W48.0006 -","3","0.0833333","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.0525","0.0399","","","0.1108","0.1234","","","","","","1.237","","","","has coordinates","221932","2020-10-21","18:00:00",""
"4128898","21.169","0.0009","21.169","0.0013","15.8379","0.0012","90","","90","","120","0.015","6146.5","1.1","150","2","150","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C14 H79 Mo2 N7 O70 Se W16 -","- C9.6 Mo1.9998 N4.8 O66.6 Se W16.0002 -","- C28.8 Mo5.9994 N14.4 O199.8 Se3 W48.0006 -","3","0.0833333","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.0563","0.039","","","0.0895","0.101","","","","","","1.121","","","","has coordinates,has disorder","221933","2020-10-21","18:00:00",""
"4128899","22.557","0.0018","22.557","0.0018","22.557","0.0018","90","","90","","90","","11477.4","1.6","150","2","150","2","","","","","","","","9","P a -3","-P 2ac 2ab 3","205","","","","- C20 H112 Mo2 N10 Na O96 P Se W22 -","- C4.8 Mo1.98 N2.4 O83 P Se W22.02 -","- C19.2 Mo7.92 N9.6 O332 P4 Se4 W88.08 -","4","0.166667","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.1004","0.0794","","","0.2043","0.2389","","","","","","1.214","","","","has coordinates,has disorder","221934","2020-10-21","18:00:00",""
"4128900","21.5987","0.001","21.5987","0.001","13.9195","0.0015","90","","90","","120","","5623.5","0.7","150","2","150","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C14 H90 Mo2 N7 O75 P W16 -","- C8.4 H Mo1.9998 N4.2 O62.76 P W16.0002 -","- C25.2 H3 Mo5.9994 N12.6 O188.28 P3 W48.0006 -","3","0.0833333","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.072","0.0487","","","0.1238","0.1368","","","","","","1.118","","","","has coordinates","221936","2020-10-21","18:00:00",""
"4128901","21.7592","0.0018","26.906","0.002","25.728","0.002","90","","90","","90","","15063","2","150","2","150","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C32 H161 Mo4 N16 O117 P3 W26 -","- C12 Mo4 N7.2 O109.8 P3 W26 -","- C48 Mo16 N28.8 O439.2 P12 W104 -","4","0.25","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.0766","0.0514","","","0.1393","0.1804","","","","","","1.184","","","","has coordinates,has disorder","221937","2020-10-21","18:00:00",""
"4128902","17.7735","0.0013","20.1721","0.0014","22.3319","0.0016","99.133","0.004","102.654","0.004","96.166","0.004","7628.6","1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H291 Mo4 N30 Na O251 Se7 W62 -","- C27.4 Mo3.999 N14.1 Na O251 Se7 W62.001 -","- C27.4 Mo3.999 N14.1 Na O251 Se7 W62.001 -","1","0.5","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.0903","0.0569","","","0.1465","0.1755","","","","","","1.095","","","","has coordinates,has disorder","221938","2020-10-21","18:00:00",""
"4128903","9.9636","0.001","12.7003","0.0013","13.9821","0.0015","80.831","0.004","69.746","0.004","70.594","0.003","1563.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H40 B F4 Fe O4 P -","- C33 H40 B F4 Fe O4 P -","- C66 H80 B2 F8 Fe2 O8 P2 -","2","1","","Geeson, Michael B.; Transue, Wesley J.; Cummins, Christopher C.","Organoiron- and Fluoride-Catalyzed Phosphinidene Transfer to Styrenic Olefins in a Stereoselective Synthesis of Unprotected Phosphiranes.","Journal of the American Chemical Society","2019","141","34","13336","13340","10.1021/jacs.9b07069","","","0.71073","MoKα","","0.176","0.1411","","","0.3506","0.3753","","","","","","1.026","","","","has coordinates,has disorder","221939","2020-10-21","18:00:00",""
"4128904","13.826","0.0009","16.6549","0.0009","17.2897","0.0011","90","","90","","90","","3981.3","0.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H22 B F4 Fe O2 P -","- C19 H22 B F4 Fe O2 P -","- C152 H176 B8 F32 Fe8 O16 P8 -","8","1","","Geeson, Michael B.; Transue, Wesley J.; Cummins, Christopher C.","Organoiron- and Fluoride-Catalyzed Phosphinidene Transfer to Styrenic Olefins in a Stereoselective Synthesis of Unprotected Phosphiranes.","Journal of the American Chemical Society","2019","141","34","13336","13340","10.1021/jacs.9b07069","","","0.71073","MoKα","","0.0511","0.0378","","","0.0966","0.1033","","","","","","1.066","","","","has coordinates","221940","2020-10-21","18:00:00",""
"4128905","8.605","0.004","19.697","0.007","30.793","0.012","90","","90","","90","","5219","4","100","","99.97","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C216 H252 N12 O72 -","12","3","","Zheng, Jian; Swords, Wesley B.; Jung, Hoimin; Skubi, Kazimer L.; Kidd, Jesse B.; Meyer, Gerald J.; Baik, Mu-Hyun; Yoon, Tehshik P.","Enantioselective Intermolecular Excited-State Photoreactions Using a Chiral Ir Triplet Sensitizer: Separating Association from Energy Transfer in Asymmetric Photocatalysis.","Journal of the American Chemical Society","2019","141","34","13625","13634","10.1021/jacs.9b06244","","x-ray","0.71073","MoKα","","0.0588","0.0467","","","0.1095","0.1161","","","","","","1.024","","","","has coordinates,has disorder","221941","2020-10-21","18:00:00",""
"4128906","9.094","0.003","7.248","0.002","11.749","0.003","90","","96.62","0.02","90","","769.3","0.4","100","","100.02","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H15 I N2 O4 -","- C16 H15 I N2 O4 -","- C32 H30 I2 N4 O8 -","2","1","","Zheng, Jian; Swords, Wesley B.; Jung, Hoimin; Skubi, Kazimer L.; Kidd, Jesse B.; Meyer, Gerald J.; Baik, Mu-Hyun; Yoon, Tehshik P.","Enantioselective Intermolecular Excited-State Photoreactions Using a Chiral Ir Triplet Sensitizer: Separating Association from Energy Transfer in Asymmetric Photocatalysis.","Journal of the American Chemical Society","2019","141","34","13625","13634","10.1021/jacs.9b06244","","x-ray","0.71073","MoKα","K-L~3~","0.0207","0.0196","","","0.0472","0.0474","","","","","","1.074","","","","has coordinates","221942","2020-10-21","18:00:00",""
"4128907","30.977","0.009","20.52","0.006","22.213","0.006","90","","90","","90","","14120","7","100","2","100.21","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C32 H16 N8 O16 Zr3 -","- C32 H16 N8 O16 Zr3 -","- C128 H64 N32 O64 Zr12 -","4","0.5","","Wang, Xiao-Ning; Zhang, Peng; Kirchon, Angelo; Li, Jia-Luo; Chen, Wen-Miao; Zhao, Yu-Meng; Li, Bao; Zhou, Hong-Cai","Crystallographic Visualization of Postsynthetic Nickel Clusters into Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","34","13654","13663","10.1021/jacs.9b06711","","","1.54184","CuKα","","0.295","0.2062","","","0.5","0.5454","","","","","","1.947","","","","has coordinates","221943","2020-10-21","18:00:00",""
"4128908","31.4535","0.0018","19.638","0.0012","21.9912","0.0013","90","","90","","90","","13583.6","1.4","100","2","100.04","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C64 Cl22 N16 Ni14 O47 Zr6 -","- C64 Cl22 N16 Ni14 O47 Zr6 -","- C128 Cl44 N32 Ni28 O94 Zr12 -","2","0.25","","Wang, Xiao-Ning; Zhang, Peng; Kirchon, Angelo; Li, Jia-Luo; Chen, Wen-Miao; Zhao, Yu-Meng; Li, Bao; Zhou, Hong-Cai","Crystallographic Visualization of Postsynthetic Nickel Clusters into Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","34","13654","13663","10.1021/jacs.9b06711","","","1.54184","CuKα","","0.1758","0.1463","","","0.4141","0.4454","","","","","","1.925","","","","has coordinates","221944","2020-10-21","18:00:00",""
"4128909","31.698","0.007","18.59","0.004","22.055","0.004","90","","90","","90","","12996","5","101","2","100.76","","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C32 H16 Br5 N8 Ni3 O26 Zr3 -","- C32 H16 Br5 N8 Ni3 O26 Zr3 -","- C128 H64 Br20 N32 Ni12 O104 Zr12 -","4","0.5","","Wang, Xiao-Ning; Zhang, Peng; Kirchon, Angelo; Li, Jia-Luo; Chen, Wen-Miao; Zhao, Yu-Meng; Li, Bao; Zhou, Hong-Cai","Crystallographic Visualization of Postsynthetic Nickel Clusters into Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","34","13654","13663","10.1021/jacs.9b06711","","","1.54184","CuKα","","0.2384","0.1587","","","0.3818","0.4241","","","","","","1.328","","","","has coordinates","221945","2020-10-21","18:00:00",""
"4128910","31.368","0.003","19.703","0.0016","22.4548","0.0019","90","","90","","90","","13878","2","100","2","99.99","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C32 H16 N8 O16 Zr3 -","- C32 H16 N8 O16 Zr3 -","- C128 H64 N32 O64 Zr12 -","4","0.5","","Wang, Xiao-Ning; Zhang, Peng; Kirchon, Angelo; Li, Jia-Luo; Chen, Wen-Miao; Zhao, Yu-Meng; Li, Bao; Zhou, Hong-Cai","Crystallographic Visualization of Postsynthetic Nickel Clusters into Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","34","13654","13663","10.1021/jacs.9b06711","","","1.54184","CuKα","","0.1313","0.1077","","","0.2728","0.2952","","","","","","1.065","","","","has coordinates","221946","2020-10-21","18:00:00",""
"4128911","13.5456","0.0005","35.6442","0.0011","15.5089","0.0005","90","","107.09","0.002","90","","7157.4","0.4","170","2","169.99","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C87 H88 O11 -","- C87 H88 O11 -","- C348 H352 O44 -","4","1","","Li, Qi; Zhu, Huangtianzhi; Huang, Feihe","Alkyl Chain Length-Selective Vapor-Induced Fluorochromism of Pillar[5]arene-Based Nonporous Adaptive Crystals.","Journal of the American Chemical Society","2019","141","34","13290","13294","10.1021/jacs.9b05054","","","1.34139","GaKα","","0.1215","0.0972","","","0.2371","0.2564","","","","","","0.91","","","","has coordinates","221947","2020-10-21","18:00:00",""
"4128912","13.7735","0.0002","34.9942","0.0006","15.597","0.0002","90","","107.447","0.001","90","","7171.79","0.19","170","2","169.96","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C85 H80 O10 -","- C85 H80 O10 -","- C340 H320 O40 -","4","1","","Li, Qi; Zhu, Huangtianzhi; Huang, Feihe","Alkyl Chain Length-Selective Vapor-Induced Fluorochromism of Pillar[5]arene-Based Nonporous Adaptive Crystals.","Journal of the American Chemical Society","2019","141","34","13290","13294","10.1021/jacs.9b05054","","","1.34139","GaKα","","0.0909","0.0746","","","0.2012","0.217","","","","","","1.052","","","","has coordinates","221948","2020-10-21","18:00:00",""
"4128913","13.9839","0.0003","35.7918","0.0007","15.4191","0.0003","90","","108.881","0.001","90","","7302.1","0.3","170","2","169.98","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C87 H86 O10 -","- C87 H86 O10 -","- C348 H344 O40 -","4","1","","Li, Qi; Zhu, Huangtianzhi; Huang, Feihe","Alkyl Chain Length-Selective Vapor-Induced Fluorochromism of Pillar[5]arene-Based Nonporous Adaptive Crystals.","Journal of the American Chemical Society","2019","141","34","13290","13294","10.1021/jacs.9b05054","","","1.34139","GaKα","","0.1533","0.0984","","","0.2711","0.3177","","","","","","1.051","","","","has coordinates","221949","2020-10-21","18:00:00",""
"4128914","12.7437","0.0004","31.7874","0.0007","32.5089","0.001","90","","90","","90","","13169","0.6","170.15","","170.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C81 H62 O10 -","- C81 H62 O10 -","- C648 H496 O80 -","8","1","","Li, Qi; Zhu, Huangtianzhi; Huang, Feihe","Alkyl Chain Length-Selective Vapor-Induced Fluorochromism of Pillar[5]arene-Based Nonporous Adaptive Crystals.","Journal of the American Chemical Society","2019","141","34","13290","13294","10.1021/jacs.9b05054","","","0.71073","MoKα","","0.1251","0.0957","","","0.2515","0.2745","","","","","","1.143","","","","has coordinates,has disorder","221950","2020-10-21","18:00:00",""
"4128915","9.5103","0.0006","34.984","0.002","21.4829","0.0014","90","","101.519","0.0017","90","","7003.6","0.8","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H76 O5 S Si3 -","- C40 H76 O5 S Si3 -","- C240 H456 O30 S6 Si18 -","6","3","","Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas","Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides.","Journal of the American Chemical Society","2019","141","34","13352","13357","10.1021/jacs.9b07729","","","0.71073","MoKα","","0.1204","0.0926","","","0.2484","0.2724","","","","","","1.036","","","","has coordinates,has disorder","221951","2020-10-21","18:00:00",""
"4128916","7.048","0.0003","10.4797","0.0005","18.4167","0.001","90","","97.094","0.002","90","","1349.86","0.11","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O4 S -","- C14 H16 O4 S -","- C56 H64 O16 S4 -","4","1","","Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas","Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides.","Journal of the American Chemical Society","2019","141","34","13352","13357","10.1021/jacs.9b07729","","","0.71073","MoKα","","0.0346","0.0322","","","0.0835","0.0852","","","","","","1.072","","","","has coordinates","221952","2020-10-21","18:00:00",""
"4128917","5.843","0.0004","10.9977","0.0008","17.5865","0.0012","90","","90","","90","","1130.1","0.14","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O S -","- C12 H18 O S -","- C48 H72 O4 S4 -","4","1","","Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas","Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides.","Journal of the American Chemical Society","2019","141","34","13352","13357","10.1021/jacs.9b07729","","","0.71073","MoKα","","0.0251","0.0225","","","0.0569","0.058","","","","","","1.066","","","","has coordinates","221953","2020-10-21","18:00:00",""
"4128918","7.6475","0.0004","8.1332","0.0004","13.0597","0.0006","105.357","0.001","102.201","0.002","97.465","0.001","750.56","0.06","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N O4 S -","- C16 H15 N O4 S -","- C32 H30 N2 O8 S2 -","2","1","","Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas","Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides.","Journal of the American Chemical Society","2019","141","34","13352","13357","10.1021/jacs.9b07729","","","0.71073","MoKα","","0.0368","0.0323","","","0.0821","0.0846","","","","","","1.041","","","","has coordinates,has disorder","221954","2020-10-21","18:00:00",""
"4128919","8.6617","0.0004","9.6496","0.0004","22.5991","0.0009","90","","90","","90","","1888.88","0.14","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","1","","Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas","Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides.","Journal of the American Chemical Society","2019","141","34","13352","13357","10.1021/jacs.9b07729","","","0.71073","MoKα","","0.0334","0.0308","","","0.079","0.0809","","","","","","1.034","","","","has coordinates","221955","2020-10-21","18:00:00",""
"4128920","6.1911","0.0005","7.129","0.0004","12.2554","0.0008","90","","104.026","0.007","90","","524.78","0.06","150","2","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 O3 -","- C5 H6 O3 -","- C20 H24 O12 -","4","1","","McGuire, Thomas M.; Pérale, Cécile; Castaing, Rémi; Kociok-Köhn, Gabriele; Buchard, Antoine","Divergent Catalytic Strategies for the <i>Cis</i>/<i>Trans</i> Stereoselective Ring-Opening Polymerization of a Dual Cyclic Carbonate/Olefin Monomer.","Journal of the American Chemical Society","2019","141","34","13301","13305","10.1021/jacs.9b06259","","x-ray","1.54184","CuKα","","0.0373","0.0341","","","0.0937","0.0967","","","","","","1.067","","","","has coordinates","221956","2020-10-21","18:00:00",""
"4128921","8.169","0.002","23.029","0.006","12.208","0.003","90","","91.379","0.004","90","","2296","1","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 Fe O6 -","- C26 H32 Fe O6 -","- C104 H128 Fe4 O24 -","4","2","","Burns, Alexander S.; Rychnovsky, Scott D.","Total Synthesis and Structure Revision of (-)-Illisimonin A, a Neuroprotective Sesquiterpenoid from the Fruits of <i>Illicium simonsii</i>.","Journal of the American Chemical Society","2019","141","34","13295","13300","10.1021/jacs.9b05065","","","0.71073","MoKα","","0.0623","0.0528","","","0.1258","0.1305","","","","","","1.043","","","","has coordinates","221957","2020-10-21","18:00:00",""
"4128922","52.0499","0.0012","21.5528","0.0005","26.1891","0.0006","90","","90","","90","","29379.5","1.2","100","2","100","","","","","","","","","7","I m m a","-I 2b 2","74","","","","- Co4 K3.5 Li1.5 Na O126.5 P5 W30 -","- Co4 K3.5 Li1.5 Na O126.5 P5 W30 -","- Co32 K28 Li12 Na8 O1012 P40 W240 -","8","0.5","","Turo, Michael J.; Chen, Linfeng; Moore, Curtis E.; Schimpf, Alina M.","Co<sup>2+</sup>-Linked [NaP<sub>5</sub>W<sub>30</sub>O<sub>110</sub>]<sup>14-</sup>: A Redox-Active Metal Oxide Framework with High Electron Density.","Journal of the American Chemical Society","2019","141","11","4553","4557","10.1021/jacs.9b00866","","x-ray","0.71073","MoKα","","0.0994","0.0721","","","0.1794","0.2021","","","","","","1.116","","","","has coordinates,has disorder","221958","2020-10-21","18:00:00",""
"4128923","52.037","0.0013","21.5548","0.0005","26.1839","0.0007","90","","90","","90","","29369.1","1.3","100","","100","","","","","","","","","7","I m m a","-I 2b 2","74","","","","- Co4 K3.5 Li1.5 Na O126.5 P5 W30 -","- Co4 K3.5 Li1.5 Na O126.5 P5 W30 -","- Co32 K28 Li12 Na8 O1012 P40 W240 -","8","0.5","","Turo, Michael J.; Chen, Linfeng; Moore, Curtis E.; Schimpf, Alina M.","Co<sup>2+</sup>-Linked [NaP<sub>5</sub>W<sub>30</sub>O<sub>110</sub>]<sup>14-</sup>: A Redox-Active Metal Oxide Framework with High Electron Density.","Journal of the American Chemical Society","2019","141","11","4553","4557","10.1021/jacs.9b00866","","x-ray","0.71073","MoKα","","0.082","0.066","","","0.1533","0.1653","","","","","","1.222","","","","has coordinates,has disorder","221959","2020-10-21","18:00:00",""
"4128924","8.5334","0.0017","16.264","0.003","14.678","0.003","90","","100.31","0.03","90","","2004.2","0.7","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","cyclo[1]N2,N6-bis(6-(1H-imidazol-1-yl)pyridin-2-yl)-N2,N6-dimethylpyridine-2,6-diamine[1](1,4-dimethylenebenzene)_ 2 PF6-_ 0.25 H2O","","","- C35 H35 F12 N11 O0.25 P2 -","- C35 H35 F12 N11 O0.25 P2 -","- C70 H70 F24 N22 O0.5 P4 -","2","0.5","","Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Excimer Disaggregation Enhanced Emission: A Fluorescence ""Turn-On"" Approach to Oxoanion Recognition.","Journal of the American Chemical Society","2019","141","11","4597","4612","10.1021/jacs.8b09021","","","0.71073","MoKα","","0.094","0.0783","","","0.139","0.1478","","","","","","1.04","","","","has coordinates","221960","2020-10-21","18:00:00",""
"4128925","8.8999","0.0018","11.193","0.002","20.76","0.004","99.53","0.03","90.06","0.03","105.42","0.03","1963.9","0.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H37 F12 N9 O2 P2 -","- C35 H37 F11.96 N9 O2 P2 -","- C70 H74 F23.92 N18 O4 P4 -","2","1","","Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Excimer Disaggregation Enhanced Emission: A Fluorescence ""Turn-On"" Approach to Oxoanion Recognition.","Journal of the American Chemical Society","2019","141","11","4597","4612","10.1021/jacs.8b09021","","","0.71073","MoKα","","0.1021","0.0625","","","0.1578","0.1856","","","","","","1.015","","","","has coordinates,has disorder","221961","2020-10-21","18:00:00",""
"4128926","11.481","0.002","22.243","0.004","29.998","0.006","90","","90","","90","","7661","2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cyclo[1]N2,N6-bis(6-(1H-imidazol-1-yl)pyridin-2-yl)-N2,N6-dimethylpyridine-2,6-diamine[1](1,4-dimethylenebenzene)_ 2 HCO3-_dioxane_2 H2O","","","- C37 H43 N9 O10 -","- C37 H39 N9 O10 -","- C296 H312 N72 O80 -","8","1","","Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Excimer Disaggregation Enhanced Emission: A Fluorescence ""Turn-On"" Approach to Oxoanion Recognition.","Journal of the American Chemical Society","2019","141","11","4597","4612","10.1021/jacs.8b09021","","","0.71073","MoKα","","0.1396","0.0962","","","0.187","0.2088","","","","","","1.017","","","","has coordinates","221962","2020-10-21","18:00:00",""
"4128927","12.547","0.003","18.324","0.004","18.364","0.004","114.49","0.03","103.77","0.03","91.72","0.03","3692.1","1.9","223","2","223","2","","","","","","","","5","P -1","-P 1","2","cyclo[1]N2,N6-bis(6-(1H-imidazol-1-yl)pyridin-2-yl)-N2,N6-dimethylpyridine-2,6-diamine[1](1,4-dimethylenebenzene)_ 2 H2PO4-_ 7.5 H2O","","","- C31 H48 N9 O15.5 P2 -","- C31 H33 N9 O8 P2 -","- C124 H132 N36 O32 P8 -","4","2","","Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Excimer Disaggregation Enhanced Emission: A Fluorescence ""Turn-On"" Approach to Oxoanion Recognition.","Journal of the American Chemical Society","2019","141","11","4597","4612","10.1021/jacs.8b09021","","","0.71073","MoKα","","0.1797","0.0921","","","0.2029","0.2397","","","","","","1.001","","","","has coordinates","221963","2020-10-21","18:00:00",""
"4128928","8.2235","0.0007","13.8316","0.0017","16.8675","0.0017","99.887","0.009","90.596","0.007","102.897","0.009","1840","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H35.5 N10.5 O8 S2 -","- C34 H31 N10.5 O8 S2 -","- C68 H62 N21 O16 S4 -","2","1","","Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Excimer Disaggregation Enhanced Emission: A Fluorescence ""Turn-On"" Approach to Oxoanion Recognition.","Journal of the American Chemical Society","2019","141","11","4597","4612","10.1021/jacs.8b09021","","","1.54184","CuKα","","0.0907","0.0627","","","0.1707","0.1976","","","","","","0.951","","","","has coordinates,has disorder","221964","2020-10-21","18:00:00",""
"4128929","18.1882","0.0013","20.6048","0.0012","9.6072","0.0005","90","","104.356","0.006","90","","3488","0.4","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 N9 O11 P2 -","- C31 H39 N9 O11 P2 -","- C124 H156 N36 O44 P8 -","4","1","","Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Excimer Disaggregation Enhanced Emission: A Fluorescence ""Turn-On"" Approach to Oxoanion Recognition.","Journal of the American Chemical Society","2019","141","11","4597","4612","10.1021/jacs.8b09021","","","1.54184","CuKα","","0.0726","0.0506","","","0.109","0.1221","","","","","","1.001","","","","has coordinates","221965","2020-10-21","18:00:00",""
"4128930","15.082","0.002","17.405","0.002","17.968","0.002","66.38","0.002","80.662","0.003","80.269","0.003","4235.9","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","3 in manuscript","","","- C68 H87 Au2 F6 N5 O5 S3 -","- C68 H87 Au2 F6 N5 O5 S3 -","- C136 H174 Au4 F12 N10 O10 S6 -","2","1","","Mulks, Florian F.; Antoni, Patrick W.; Gross, Jürgen H; Graf, Jürgen; Rominger, Frank; Hashmi, A Stephen K","1,1-Digoldallylium Complexes: Diaurated Allylic Carbocations Indicate New Prospects of the Coordination Chemistry of Carbon.","Journal of the American Chemical Society","2019","141","11","4687","4695","10.1021/jacs.8b13395","","","0.71073","MoKα","","0.0958","0.0484","","","0.1004","0.1224","","","","","","1.03","","","","has coordinates,has disorder","221966","2020-10-21","18:00:00",""
"4128931","8.07","0.0006","8.4605","0.0006","12.8684","0.001","90","","93.611","0.002","90","","876.86","0.11","100","2","100.01","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Co -","- C20 H31 Co -","- C40 H62 Co2 -","2","0.5","","Chalkley, Matthew J.; Oyala, Paul H.; Peters, Jonas C.","Cp* Noninnocence Leads to a Remarkably Weak C-H Bond via Metallocene Protonation.","Journal of the American Chemical Society","2019","141","11","4721","4729","10.1021/jacs.9b00193","","","0.71073","MoKα","","0.08","0.0382","","","0.0732","0.0832","","","","","","1.016","","","","has coordinates,has disorder","221967","2020-10-21","18:00:00",""
"4128932","12.8973","0.0005","9.6767","0.0004","15.1146","0.0006","90","","92.956","0.002","90","","1883.84","0.13","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 Co -","- C21 H33 Co -","- C84 H132 Co4 -","4","1","","Chalkley, Matthew J.; Oyala, Paul H.; Peters, Jonas C.","Cp* Noninnocence Leads to a Remarkably Weak C-H Bond via Metallocene Protonation.","Journal of the American Chemical Society","2019","141","11","4721","4729","10.1021/jacs.9b00193","","","0.71073","MoKα","","0.0716","0.0471","","","0.0945","0.1037","","","","","","1.045","","","","has coordinates","221967","2020-10-21","18:00:00",""
"4128933","25.919","0.0011","9.9765","0.0004","26.3509","0.0011","90","","112.699","0.002","90","","6286.1","0.5","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H42 N2 O2 Si -","- C33 H42 N2 O2 Si -","- C264 H336 N16 O16 Si8 -","8","4","","Han, Ye-Qiang; Ding, Yi; Zhou, Tao; Yan, Sheng-Yi; Song, Hong; Shi, Bing-Feng","Pd(II)-Catalyzed Enantioselective Alkynylation of Unbiased Methylene C(sp<sup>3</sup>)-H Bonds Using 3,3'-Fluorinated-BINOL as a Chiral Ligand.","Journal of the American Chemical Society","2019","141","11","4558","4563","10.1021/jacs.9b01124","","","1.54178","CuKα","","0.1056","0.1016","","","0.293","0.3039","","","","","","1.381","","","","has coordinates,has disorder","221968","2020-10-21","18:00:00",""
"4128934","16.1706","0.0009","19.1783","0.0007","22.1386","0.001","89.034","0.003","72.865","0.004","80.624","0.004","6469.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C123 H170 N21 O27 Zn4 -","- C114 H144 N18 O24 Zn4 -","- C228 H288 N36 O48 Zn8 -","2","1","","Zhang, Huacheng; Lee, Juhoon; Brewster, 2nd, James T; Chi, Xiaodong; Lynch, Vincent M.; Sessler, Jonathan L.","Cation-based Structural Tuning of Pyridine Dipyrrolate Cages and Morphological Control over Their Self-assembly.","Journal of the American Chemical Society","2019","141","11","4749","4755","10.1021/jacs.9b01042","","","1.54184","CuKα","","0.0994","0.0604","","","0.1446","0.1723","","","","","","0.993","","","","has coordinates,has disorder","221969","2020-10-21","18:00:00",""
"4128935","21.5925","0.0008","12.2482","0.0004","41.9139","0.0015","90","","96.438","0.003","90","","11015","0.7","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C103 H127 N14 O19 Zn4 -","- C103 H127 N14 O19 Zn4 -","- C412 H508 N56 O76 Zn16 -","4","1","","Zhang, Huacheng; Lee, Juhoon; Brewster, 2nd, James T; Chi, Xiaodong; Lynch, Vincent M.; Sessler, Jonathan L.","Cation-based Structural Tuning of Pyridine Dipyrrolate Cages and Morphological Control over Their Self-assembly.","Journal of the American Chemical Society","2019","141","11","4749","4755","10.1021/jacs.9b01042","","","1.54184","CuKα","","0.136","0.1053","","","0.2494","0.2686","","","","","","1.145","","","","has coordinates,has disorder","221970","2020-10-21","18:00:00",""
"4128936","16.7237","0.0006","21.2669","0.0007","39.8228","0.0013","90","","92.307","0.004","90","","14151.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C246 H328 Co2 N38 O52 Zn8 -","- C246 H328 Co2 N38 O52 Zn8 -","- C492 H656 Co4 N76 O104 Zn16 -","2","0.5","","Zhang, Huacheng; Lee, Juhoon; Brewster, 2nd, James T; Chi, Xiaodong; Lynch, Vincent M.; Sessler, Jonathan L.","Cation-based Structural Tuning of Pyridine Dipyrrolate Cages and Morphological Control over Their Self-assembly.","Journal of the American Chemical Society","2019","141","11","4749","4755","10.1021/jacs.9b01042","","","1.54184","CuKα","","0.0987","0.0679","","","0.1533","0.1685","","","","","","1.032","","","","has coordinates,has disorder","221971","2020-10-21","18:00:00",""
"4128937","15.7704","0.0015","19.0494","0.0019","22.544","0.002","67.594","0.01","84.711","0.008","76.268","0.009","6082.3","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C240 H334 N34 O44 Zn8 -","- C234 H316 N32 O42 Zn8 -","- C234 H316 N32 O42 Zn8 -","1","0.5","","Zhang, Huacheng; Lee, Juhoon; Brewster, 2nd, James T; Chi, Xiaodong; Lynch, Vincent M.; Sessler, Jonathan L.","Cation-based Structural Tuning of Pyridine Dipyrrolate Cages and Morphological Control over Their Self-assembly.","Journal of the American Chemical Society","2019","141","11","4749","4755","10.1021/jacs.9b01042","","","1.54184","CuKα","","0.1587","0.0907","","","0.2045","0.2484","","","","","","1.009","","","","has coordinates,has disorder","221972","2020-10-21","18:00:00",""
"4128938","21.2912","0.0005","19.4228","0.0004","11.7888","0.0003","90","","97.29","0.002","90","","4835.7","0.2","108","6","108","6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Br4 N4 O4 Pb -","- C16 H22 Br4 N4 O4 Pb -","- C128 H176 Br32 N32 O32 Pb8 -","8","2","","Tremblay, Marie-Hélène; Thouin, Félix; Leisen, Johannes; Bacsa, John; Srimath Kandada, Ajay Ram; Hoffman, Justin M.; Kanatzidis, Mercouri G.; Mohite, Aditya D.; Silva, Carlos; Barlow, Stephen; Marder, Seth R.","(4NPEA)<sub>2</sub>PbI<sub>4</sub> (4NPEA = 4-Nitrophenylethylammonium): Structural, NMR, and Optical Properties of a 3 ×3 Corrugated 2D Hybrid Perovskite.","Journal of the American Chemical Society","2019","141","11","4521","4525","10.1021/jacs.8b13207","","x-ray","0.71073","MoKα","","0.0652","0.042","","","0.0989","0.1068","","","","","","1.03","","","","has coordinates","221973","2020-10-21","18:00:00",""
"4128939","21.0976","0.0004","19.8255","0.0003","12.6149","0.0002","90","","98.2252","0.0017","90","","5222.16","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 I4 N4 O4 Pb -","- C16 H22 I4 N4 O4 Pb -","- C128 H176 I32 N32 O32 Pb8 -","8","2","","Tremblay, Marie-Hélène; Thouin, Félix; Leisen, Johannes; Bacsa, John; Srimath Kandada, Ajay Ram; Hoffman, Justin M.; Kanatzidis, Mercouri G.; Mohite, Aditya D.; Silva, Carlos; Barlow, Stephen; Marder, Seth R.","(4NPEA)<sub>2</sub>PbI<sub>4</sub> (4NPEA = 4-Nitrophenylethylammonium): Structural, NMR, and Optical Properties of a 3 ×3 Corrugated 2D Hybrid Perovskite.","Journal of the American Chemical Society","2019","141","11","4521","4525","10.1021/jacs.8b13207","","x-ray","0.71073","MoKα","","0.0704","0.0521","","","0.1129","0.1208","","","","","","1.025","","","","has coordinates,has disorder","221974","2020-10-21","18:00:00",""
"4128940","10.848","0.0004","4.7553","0.0002","11.5172","0.0005","90","","111.111","0.004","90","","554.25","0.04","99.99","0.16","99.99","0.16","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H14 Cl N O2 -","- C11 H14 Cl N O2 -","- C22 H28 Cl2 N2 O4 -","2","1","","Gao, Tao-Tao; Zhang, Wen-Wen; Sun, Xin; Lu, Hou-Xiang; Li, Bi-Jie","Stereodivergent Synthesis through Catalytic Asymmetric Reversed Hydroboration.","Journal of the American Chemical Society","2019","141","11","4670","4677","10.1021/jacs.8b13520","","x-ray","1.54184","CuKα","","0.0362","0.0336","","","0.082","0.0841","","","","","","1.061","","","","has coordinates","221975","2020-10-21","18:00:00",""
"4128941","17.3148","0.0008","17.3148","0.0008","37.394","0.002","90","","90","","120","","9708.8","0.8","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H19 Br2 N O2 -","- C24 H19 Br2 N O2 -","- C432 H342 Br36 N18 O36 -","18","0.5","","Niyas, M. A.; Ramakrishnan, Remya; Vijay, Vishnu; Sebastian, Ebin; Hariharan, Mahesh","Anomalous Halogen-Halogen Interaction Assists Radial Chromophoric Assembly.","Journal of the American Chemical Society","2019","141","11","4536","4540","10.1021/jacs.8b13754","","","0.71073","MoKα","","0.1329","0.0685","","","0.1767","0.2334","","","","","","1.024","","","","has coordinates","221976","2020-10-21","18:00:00",""
"4128942","7.8747","0.0007","11.6377","0.001","11.6249","0.001","90","","107.095","0.003","90","","1018.28","0.15","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Br2 -","- C12 H8 Br2 -","- C48 H32 Br8 -","4","1","","Niyas, M. A.; Ramakrishnan, Remya; Vijay, Vishnu; Sebastian, Ebin; Hariharan, Mahesh","Anomalous Halogen-Halogen Interaction Assists Radial Chromophoric Assembly.","Journal of the American Chemical Society","2019","141","11","4536","4540","10.1021/jacs.8b13754","","","0.71073","MoKα","","0.0525","0.0332","","","0.0727","0.0811","","","","","","1.039","","","","has coordinates","221976","2020-10-21","18:00:00",""
"4128943","8.5392","0.0011","8.8043","0.0011","15.5739","0.0019","74.124","0.003","89.573","0.004","65.84","0.004","1020.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Br N O2 -","- C24 H22 Br N O2 -","- C48 H44 Br2 N2 O4 -","2","1","","Niyas, M. A.; Ramakrishnan, Remya; Vijay, Vishnu; Sebastian, Ebin; Hariharan, Mahesh","Anomalous Halogen-Halogen Interaction Assists Radial Chromophoric Assembly.","Journal of the American Chemical Society","2019","141","11","4536","4540","10.1021/jacs.8b13754","","","0.71073","MoKα","","0.0748","0.047","","","0.107","0.1183","","","","","","1.065","","","","has coordinates,has disorder","221976","2020-10-21","18:00:00",""
"4128944","9.102","0.002","6.967","0.002","10.962","0.003","90","","91.026","0.008","90","","695","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 Br2 N O2 -","- C15 H11 Br2 N O2 -","- C30 H22 Br4 N2 O4 -","2","1","","Niyas, M. A.; Ramakrishnan, Remya; Vijay, Vishnu; Sebastian, Ebin; Hariharan, Mahesh","Anomalous Halogen-Halogen Interaction Assists Radial Chromophoric Assembly.","Journal of the American Chemical Society","2019","141","11","4536","4540","10.1021/jacs.8b13754","","","0.71073","MoKα","","0.1451","0.0574","","","0.1381","0.1891","","","","","","0.953","","","","has coordinates","221976","2020-10-21","18:00:00",""
"4128945","11.7853","0.0001","14.6123","0.0002","22.8572","0.0003","98.446","0.001","92.842","0.001","91.763","0.001","3885.88","0.08","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C87 H62 Cl7 Ir N2 O5 P2 -","- C87 H62 Cl7 Ir N2 O5 P2 -","- C174 H124 Cl14 Ir2 N4 O10 P4 -","2","1","","Isomura, Mayuko; Petrone, David A.; Carreira, Erick M.","Coordination-Induced Stereocontrol over Carbocations: Asymmetric Reductive Deoxygenation of Racemic Tertiary Alcohols.","Journal of the American Chemical Society","2019","141","11","4738","4748","10.1021/jacs.9b00862","","x-ray","1.54184","CuKα","","0.0601","0.0532","","","0.1531","0.1586","","","","","","1.045","","","","has coordinates,has disorder","221977","2020-10-21","18:00:00",""
"4128946","9.9297","0.0002","13.7671","0.0003","14.1998","0.0004","64.113","0.002","87.206","0.002","89.732","0.002","1744","0.08","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","","","- C18 H15 Cl N2 O6 -","- C18 H15 Cl N2 O6 -","- C72 H60 Cl4 N8 O24 -","4","4","","Isomura, Mayuko; Petrone, David A.; Carreira, Erick M.","Coordination-Induced Stereocontrol over Carbocations: Asymmetric Reductive Deoxygenation of Racemic Tertiary Alcohols.","Journal of the American Chemical Society","2019","141","11","4738","4748","10.1021/jacs.9b00862","","x-ray","1.54184","CuKα","","0.039","0.0369","","","0.099","0.1008","","","","","","1.046","","","","has coordinates","221978","2020-10-21","18:00:00",""
"4128947","8.03546","0.00005","17.81899","0.00011","11.97478","0.00007","90","","96.1556","0.0006","90","","1704.71","0.018","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 N O4 -","- C17 H27 N O4 -","- C68 H108 N4 O16 -","4","1","","Isomura, Mayuko; Petrone, David A.; Carreira, Erick M.","Coordination-Induced Stereocontrol over Carbocations: Asymmetric Reductive Deoxygenation of Racemic Tertiary Alcohols.","Journal of the American Chemical Society","2019","141","11","4738","4748","10.1021/jacs.9b00862","","x-ray","1.54184","CuKα","","0.0403","0.0385","","","0.1022","0.1035","","","","","","1.028","","","","has coordinates","221979","2020-10-21","18:00:00",""
"4128948","12.4658","0.0007","16.2947","0.0009","21.744","0.0012","90","","97.257","0.003","90","","4381.4","0.4","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H50 F24 N16 O4 P4 Ru2 -","- C66 H50 F24 N16 O4 P4 Ru2 -","- C132 H100 F48 N32 O8 P8 Ru4 -","2","1","","Fairbanks, Simon D.; Robertson, Craig C.; Keene, F. Richard; Thomas, Jim A.; Williamson, Mike P.","Structural Investigation into the Threading Intercalation of a Chiral Dinuclear Ruthenium(II) Polypyridyl Complex through a B-DNA Oligonucleotide.","Journal of the American Chemical Society","2019","141","11","4644","4652","10.1021/jacs.8b12280","","","0.71073","MoKα","","0.1063","0.071","","","0.1717","0.19","","","","","","1.044","","","","has coordinates,has disorder","275683","2022-05-30","09:11:54",""
"4128949","12.5327","0.0014","16.3645","0.0019","21.809","0.003","90","","97.129","0.005","90","","4438.3","0.9","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H44 F24 N14 P4 Ru2 -","- C64 H44 F24 N14 P4 Ru2 -","- C128 H88 F48 N28 P8 Ru4 -","2","1","","Fairbanks, Simon D.; Robertson, Craig C.; Keene, F. Richard; Thomas, Jim A.; Williamson, Mike P.","Structural Investigation into the Threading Intercalation of a Chiral Dinuclear Ruthenium(II) Polypyridyl Complex through a B-DNA Oligonucleotide.","Journal of the American Chemical Society","2019","141","11","4644","4652","10.1021/jacs.8b12280","","","0.71073","MoKα","","0.1158","0.0758","","","0.1894","0.2114","","","","","","0.984","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4128950","8.3032","0.0016","11.378","0.002","18.25","0.004","95.542","0.007","92.729","0.007","95.095","0.007","1706.6","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H44 Cl4 N14 Ru2 -","- C64 H44 Cl4 N14 Ru2 -","- C64 H44 Cl4 N14 Ru2 -","1","0.5","","Fairbanks, Simon D.; Robertson, Craig C.; Keene, F. Richard; Thomas, Jim A.; Williamson, Mike P.","Structural Investigation into the Threading Intercalation of a Chiral Dinuclear Ruthenium(II) Polypyridyl Complex through a B-DNA Oligonucleotide.","Journal of the American Chemical Society","2019","141","11","4644","4652","10.1021/jacs.8b12280","","","0.71073","MoKα","","0.0707","0.0492","","","0.1183","0.1296","","","","","","1.022","","","","has coordinates,has disorder","221982","2020-10-21","18:00:00",""
"4128951","8.4354","0.0005","9.8508","0.0005","14.8019","0.0008","90","","99.955","0.002","90","","1211.45","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 I O3 -","- C12 H15 I O3 -","- C48 H60 I4 O12 -","4","1","","Yang, Ming; Yin, Fangjie; Fujino, Haruka; Snyder, Scott A.","The Total Synthesis of Chalcitrin.","Journal of the American Chemical Society","2019","141","11","4515","4520","10.1021/jacs.8b12612","","x-ray","0.71073","MoKα","","0.032","0.0227","","","0.0459","0.0482","","","","","","1.054","","","","has coordinates","221983","2020-10-21","18:00:00",""
"4128952","10.8432","0.0007","9.263","0.0006","11.9112","0.0008","90","","108.277","0.002","90","","1136.01","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br I O3 -","- C11 H8 Br I O3 -","- C44 H32 Br4 I4 O12 -","4","1","","Yang, Ming; Yin, Fangjie; Fujino, Haruka; Snyder, Scott A.","The Total Synthesis of Chalcitrin.","Journal of the American Chemical Society","2019","141","11","4515","4520","10.1021/jacs.8b12612","","x-ray","0.71073","MoKα","","0.0506","0.0357","","","0.0627","0.0666","","","","","","1.037","","","","has coordinates","221984","2020-10-21","18:00:00",""
"4128953","12.0937","0.0004","11.9771","0.0004","8.4124","0.0003","90","","91.644","0.001","90","","1218.01","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br I O4 -","- C12 H8 Br I O4 -","- C48 H32 Br4 I4 O16 -","4","1","","Yang, Ming; Yin, Fangjie; Fujino, Haruka; Snyder, Scott A.","The Total Synthesis of Chalcitrin.","Journal of the American Chemical Society","2019","141","11","4515","4520","10.1021/jacs.8b12612","","","0.71073","MoKα","","0.0262","0.0208","","","0.0466","0.048","","","","","","1.091","","","","has coordinates","221985","2020-10-21","18:00:00",""
"4128954","12.8763","0.0001","15.3531","0.0002","24.2529","0.0004","90","","90","","90","","4794.58","0.11","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43.5 H44.75 F18 Fe N8.25 O0.75 P2 -","- C43.5 H44.75 F18 Fe N8.25 O0.75 P2 -","- C174 H179 F72 Fe4 N33 O3 P8 -","4","1","","Hong, Yubiao; Jarrige, Lucie; Harms, Klaus; Meggers, Eric","Chiral-at-Iron Catalyst: Expanding the Chemical Space for Asymmetric Earth-Abundant Metal Catalysis.","Journal of the American Chemical Society","2019","141","11","4569","4572","10.1021/jacs.9b01352","","","1.54186","CuKα","","0.0455","0.0381","","","0.0888","0.0913","","","","","","0.96","","","","has coordinates,has disorder","221986","2020-10-21","18:00:00",""
"4128955","19.1455","0.0009","17.5082","0.0008","24.5014","0.001","90","","102.237","0.0018","90","","8026.4","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C108 H110 O4 -","- C108 H110 O4 -","- C432 H440 O16 -","4","0.5","","Ikai, Tomoyuki; Yoshida, Takumu; Shinohara, Ken-Ichi; Taniguchi, Tsuyoshi; Wada, Yuya; Swager, Timothy M.","Triptycene-Based Ladder Polymers with One-Handed Helical Geometry.","Journal of the American Chemical Society","2019","141","11","4696","4703","10.1021/jacs.8b13865","","","0.71073","MoKα","","0.0951","0.0726","","","0.1981","0.2162","","","","","","1.076","","","","has coordinates,has disorder","221987","2020-10-21","18:00:00",""
"4128956","10.9283","0.0003","13.7142","0.0004","17.0369","0.0004","86.6245","0.0008","85.0011","0.0008","67.4709","0.0007","2348.64","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C26.5 H26 Cl N5 O2 -","- C26.5 H26 Cl N5 O2 -","- C106 H104 Cl4 N20 O8 -","4","2","","Gallagher, Nolan; Zhang, Hui; Junghoefer, Tobias; Giangrisostomi, Erika; Ovsyannikov, Ruslan; Pink, Maren; Rajca, Suchada; Casu, Maria Benedetta; Rajca, Andrzej","Thermally and Magnetically Robust Triplet Ground State Diradical.","Journal of the American Chemical Society","2019","141","11","4764","4774","10.1021/jacs.9b00558","","","0.41328","","","0.0789","0.0555","","","0.1493","0.1705","","","","","","1.06","","","","has coordinates","221988","2020-10-21","18:00:00",""
"4128957","14.5632","0.0007","12.3263","0.0006","23.3463","0.0011","90","","90","","90","","4190.9","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C17 H29 Cl2 N3 Ni S2 -","- C17 H29 Cl2 N3 Ni S2 -","- C136 H232 Cl16 N24 Ni8 S16 -","8","1","","Yang, Xuemei; Elrod, Lindy C.; Le, Trung; Vega, Valeria S.; Naumann, Haley; Rezenom, Yohannes; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y.","Controlling O<sub>2</sub> Reactivity in Synthetic Analogues of [NiFeS]- and [NiFeSe]-Hydrogenase Active Sites.","Journal of the American Chemical Society","2019","141","38","15338","15347","10.1021/jacs.9b07448","","","1.54178","CuKα","","0.0631","0.0595","","","0.1521","0.1548","","","","","","1.082","","","","has coordinates","221989","2020-10-21","18:00:00",""
"4128958","12.698","0.003","15.104","0.003","10.542","0.002","90","","100.076","0.01","90","","1990.7","0.7","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 F3 N3 Ni S2 -","- C17 H24 F3 N3 Ni S2 -","- C68 H96 F12 N12 Ni4 S8 -","4","1","","Yang, Xuemei; Elrod, Lindy C.; Le, Trung; Vega, Valeria S.; Naumann, Haley; Rezenom, Yohannes; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y.","Controlling O<sub>2</sub> Reactivity in Synthetic Analogues of [NiFeS]- and [NiFeSe]-Hydrogenase Active Sites.","Journal of the American Chemical Society","2019","141","38","15338","15347","10.1021/jacs.9b07448","","x-ray","1.54178","CuKα","","0.0549","0.0515","","","0.1459","0.1521","","","","","","1.091","","","","has coordinates,has disorder","221990","2020-10-21","18:00:00",""
"4128959","19.8354","0.0007","9.975","0.0004","13.3013","0.0005","90","","100.622","0.002","90","","2586.67","0.17","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B F4 Fe N3 Ni O3 S2 -","- C22 H32 B F4 Fe N3 Ni O3 S2 -","- C88 H128 B4 F16 Fe4 N12 Ni4 O12 S8 -","4","1","","Yang, Xuemei; Elrod, Lindy C.; Le, Trung; Vega, Valeria S.; Naumann, Haley; Rezenom, Yohannes; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y.","Controlling O<sub>2</sub> Reactivity in Synthetic Analogues of [NiFeS]- and [NiFeSe]-Hydrogenase Active Sites.","Journal of the American Chemical Society","2019","141","38","15338","15347","10.1021/jacs.9b07448","","x-ray","1.54178","CuKα","","0.0664","0.0607","","","0.1529","0.158","","","","","","1.038","","","","has coordinates,has disorder","221991","2020-10-21","18:00:00",""
"4128960","8.0122","0.0004","31.7923","0.0014","11.9134","0.0006","90","","107.146","0.003","90","","2899.8","0.2","100","","100","","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 B Cl2 F7 Fe N2 Ni O S2 -","- C22 H28 B Cl2 F7 Fe N2 Ni O S2 -","- C88 H112 B4 Cl8 F28 Fe4 N8 Ni4 O4 S8 -","4","1","","Yang, Xuemei; Elrod, Lindy C.; Le, Trung; Vega, Valeria S.; Naumann, Haley; Rezenom, Yohannes; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y.","Controlling O<sub>2</sub> Reactivity in Synthetic Analogues of [NiFeS]- and [NiFeSe]-Hydrogenase Active Sites.","Journal of the American Chemical Society","2019","141","38","15338","15347","10.1021/jacs.9b07448","","x-ray","1.54178","CuKα","","0.111","0.0835","","","0.1652","0.1789","","","","","","1.087","","","","has coordinates,has disorder","221992","2020-10-21","18:00:00",""
"4128961","11.3768","0.0004","22.6888","0.0006","24.5582","0.0007","90","","90","","90","","6339.1","0.3","100","","100","","","","","","","","","10","P c c n","-P 2ab 2ac","56","","","","- C21.5 H29 B Cl4 F4 Fe N2 Ni O S2 -","- C21.5 H29 B Cl4 F4 Fe N2 Ni O S2 -","- C172 H232 B8 Cl32 F32 Fe8 N16 Ni8 O8 S16 -","8","1","","Yang, Xuemei; Elrod, Lindy C.; Le, Trung; Vega, Valeria S.; Naumann, Haley; Rezenom, Yohannes; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y.","Controlling O<sub>2</sub> Reactivity in Synthetic Analogues of [NiFeS]- and [NiFeSe]-Hydrogenase Active Sites.","Journal of the American Chemical Society","2019","141","38","15338","15347","10.1021/jacs.9b07448","","x-ray","1.54178","CuKα","","0.1039","0.0953","","","0.2362","0.2442","","","","","","1.127","","","","has coordinates,has disorder","221993","2020-10-21","18:00:00",""
"4128962","11.3708","0.0006","4.6026","0.0002","20.5978","0.001","90","","94.029","0.002","90","","1075.33","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 Br2 O2 -","- C24 H24 Br2 O2 -","- C48 H48 Br4 O4 -","2","1","","Parsutkar, Mahesh M.; Pagar, Vinayak Vishnu; RajanBabu, T. V.","Catalytic Enantioselective Synthesis of Cyclobutenes from Alkynes and Alkenyl Derivatives.","Journal of the American Chemical Society","2019","141","38","15367","15377","10.1021/jacs.9b07885","","x-ray","0.71073","MoKα","","0.03","0.0243","","","0.0517","0.0531","","","","","","1.052","","","","has coordinates,has disorder","221994","2020-10-21","18:00:00",""
"4128963","11.0641","0.0006","22.4546","0.001","11.081","0.0006","90","","99.705","0.002","90","","2713.6","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H34 Br2 Co N O P -","- C27 H34 Br2 Co N O P -","- C108 H136 Br8 Co4 N4 O4 P4 -","4","2","","Parsutkar, Mahesh M.; Pagar, Vinayak Vishnu; RajanBabu, T. V.","Catalytic Enantioselective Synthesis of Cyclobutenes from Alkynes and Alkenyl Derivatives.","Journal of the American Chemical Society","2019","141","38","15367","15377","10.1021/jacs.9b07885","","x-ray","0.71073","MoKα","","0.0204","0.0189","","","0.0506","0.051","","","","","","1.118","","","","has coordinates","221995","2020-10-21","18:00:00",""
"4128964","11.7237","0.001","13.3153","0.0013","13.7472","0.0013","90","","90","","90","","2146","0.3","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 F6 N4 O2 P Ru -","- C19 H15 F6 N4 O2 P Ru -","- C76 H60 F24 N16 O8 P4 Ru4 -","4","1","","Jung, Hoimin; Schrader, Malte; Kim, Dongwook; Baik, Mu-Hyun; Park, Yoonsu; Chang, Sukbok","Harnessing Secondary Coordination Sphere Interactions That Enable the Selective Amidation of Benzylic C-H Bonds.","Journal of the American Chemical Society","2019","141","38","15356","15366","10.1021/jacs.9b07795","","","0.71073","MoKα","","0.06","0.0381","","","0.0781","0.0851","","","","","","1.051","","","","has coordinates,has disorder","221996","2020-10-21","18:00:00",""
"4128965","12.1081","0.0003","14.8255","0.0003","21.7369","0.0005","104.402","0.001","94.961","0.001","111.996","0.001","3433.43","0.14","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C69 H90 Ag2 F6 O14 -","- C69 H90 Ag2 F6 O14 -","- C138 H180 Ag4 F12 O28 -","2","1","","Hua, Bin; Shao, Li; Zhang, Zhihua; Liu, Jiyong; Huang, Feihe","Cooperative Silver Ion-Pair Recognition by Peralkylated Pillar[5]arenes.","Journal of the American Chemical Society","2019","141","38","15008","15012","10.1021/jacs.9b08257","","","0.71073","MoKα","","0.0786","0.0687","","","0.179","0.1888","","","","","","1.045","","","","has coordinates,has disorder","221997","2020-10-21","18:00:00",""
"4128966","16.5674","0.0006","20.0237","0.0009","17.998","0.0006","90","","92.654","0.003","90","","5964.3","0.4","164.7","","164.7","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H70 Ag2 F6 O14 -","- C59 H70 Ag2 F6 O14 -","- C236 H280 Ag8 F24 O56 -","4","1","","Hua, Bin; Shao, Li; Zhang, Zhihua; Liu, Jiyong; Huang, Feihe","Cooperative Silver Ion-Pair Recognition by Peralkylated Pillar[5]arenes.","Journal of the American Chemical Society","2019","141","38","15008","15012","10.1021/jacs.9b08257","","","0.71073","MoKα","","0.0671","0.0537","","","0.1344","0.1464","","","","","","1.039","","","","has coordinates,has disorder","221998","2020-10-21","18:00:00",""
"4128967","19.573","0.003","8.226","0.0011","19.595","0.003","90","","117.913","0.002","90","","2787.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 F12 Fe N6 Sb2 -","- C18 H30 F12 Fe N6 Sb2 -","- C72 H120 F48 Fe4 N24 Sb8 -","4","1","","Dantignana, Valeria; Serrano-Plana, Joan; Draksharapu, Apparao; Magallón, Carla; Banerjee, Saikat; Fan, Ruixi; Gamba, Ilaria; Guo, Yisong; Que, Jr, Lawrence; Costas, Miquel; Company, Anna","Spectroscopic and Reactivity Comparisons between Nonheme Oxoiron(IV) and Oxoiron(V) Species Bearing the Same Ancillary Ligand.","Journal of the American Chemical Society","2019","141","38","15078","15091","10.1021/jacs.9b05758","","","0.71073","MoKα","","0.028","0.0268","","","0.0711","0.072","","","","","","1.043","","","","has coordinates","221999","2020-10-21","18:00:00",""
"4128968","13.6143","0.0007","18.8932","0.0009","18.3407","0.0009","90","","109.406","0.001","90","","4449.5","0.4","123","0.1","123","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cl17 Co N5 -","- C28 H30 Cl17 Co N5 -","- C112 H120 Cl68 Co4 N20 -","4","1","","Ghosh, Chandrani; Kim, Suyeon; Mena, Matthew R.; Kim, Jun-Hyeong; Pal, Raja; Rock, Christopher L.; Groy, Thomas L.; Baik, Mu-Hyun; Trovitch, Ryan J.","Efficient Cobalt Catalyst for Ambient-Temperature Nitrile Dihydroboration, the Elucidation of a Chelate-Assisted Borylation Mechanism, and a New Synthetic Route to Amides.","Journal of the American Chemical Society","2019","141","38","15327","15337","10.1021/jacs.9b07529","","","0.71073","MoKα","","0.0915","0.0744","","","0.1977","0.2135","","","","","","1.07","","","","has coordinates,has disorder","222000","2020-10-21","18:00:00",""
"4128969","8.6432","0.001","11.3302","0.0013","11.4891","0.0014","105.192","0.002","92.884","0.002","107.735","0.002","1023.8","0.2","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 Co N5 -","- C23 H26 Co N5 -","- C46 H52 Co2 N10 -","2","1","","Ghosh, Chandrani; Kim, Suyeon; Mena, Matthew R.; Kim, Jun-Hyeong; Pal, Raja; Rock, Christopher L.; Groy, Thomas L.; Baik, Mu-Hyun; Trovitch, Ryan J.","Efficient Cobalt Catalyst for Ambient-Temperature Nitrile Dihydroboration, the Elucidation of a Chelate-Assisted Borylation Mechanism, and a New Synthetic Route to Amides.","Journal of the American Chemical Society","2019","141","38","15327","15337","10.1021/jacs.9b07529","","","0.71073","MoKα","","0.052","0.0412","","","0.0925","0.0974","","","","","","1.036","","","","has coordinates","222001","2020-10-21","18:00:00",""
"4128970","8.2188","0.0002","11.2255","0.0003","16.4158","0.0004","84.354","0.001","76.854","0.001","69.023","0.001","1376.85","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H40 Co F4 N P2 -","- C27 H40 Co F4 N P2 -","- C54 H80 Co2 F8 N2 P4 -","2","1","","Pabst, Tyler P.; Obligacion, Jennifer V.; Rochette, Étienne; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed Borylation of Fluorinated Arenes: Thermodynamic Control of C(sp<sup>2</sup>)-H Oxidative Addition Results in <i>ortho</i>-to-Fluorine Selectivity.","Journal of the American Chemical Society","2019","141","38","15378","15389","10.1021/jacs.9b07984","","","0.71073","MoKα","","0.046","0.0345","","","0.0787","0.0834","","","","","","1.045","","","","has coordinates,has disorder","222002","2020-10-21","18:00:00",""
"4128971","18.7044","0.001","13.913","0.0008","23.4016","0.0013","90","","98.928","0.002","90","","6016.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 Co F4 N P2 -","- C27 H40 Co F4 N P2 -","- C216 H320 Co8 F32 N8 P16 -","8","2","","Pabst, Tyler P.; Obligacion, Jennifer V.; Rochette, Étienne; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed Borylation of Fluorinated Arenes: Thermodynamic Control of C(sp<sup>2</sup>)-H Oxidative Addition Results in <i>ortho</i>-to-Fluorine Selectivity.","Journal of the American Chemical Society","2019","141","38","15378","15389","10.1021/jacs.9b07984","","","1.54178","CuKα","","0.1411","0.1151","","","0.2737","0.2957","","","","","","1.091","","","","has coordinates,has disorder","222002","2020-10-21","18:00:00",""
"4128972","11.5009","0.0016","13.9207","0.0019","15.136","0.002","75.533","0.007","75.25","0.007","69.812","0.007","2164.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","audra_5213","audra_5213","","- C96 H108 B2 Mn2 N10 O4 S2 -","- C96 H108 B2 Mn2 N10 O4 S2 -","- C96 H108 B2 Mn2 N10 O4 S2 -","1","0.5","","Yan Poon, Penny Chaau; Dedushko, Maksym A.; Sun, Xianru; Yang, Guang; Toledo, Santiago; Hayes, Ellen C.; Johansen, Audra; Piquette, Marc C.; Rees, Julian A.; Stoll, Stefan; Rybak-Akimova, Elena; Kovacs, Julie A.","How Metal Ion Lewis Acidity and Steric Properties Influence the Barrier to Dioxygen Binding, Peroxo O-O Bond Cleavage, and Reactivity.","Journal of the American Chemical Society","2019","141","38","15046","15057","10.1021/jacs.9b04729","","","0.71073","MoKα","","0.1178","0.0514","","","0.0996","0.1242","","","","","","1.009","","","","has coordinates,has disorder","222003","2020-10-21","18:00:00",""
"4128973","10.1676","0.0007","22.3787","0.0018","12.3719","0.001","90","","96.825","0.004","90","","2795.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","audra112113","audra112113","","- C46 H64 F12 Mn2 N10 O5 P2 S2 -","- C46 H64 F12 Mn2 N10 O5 P2 S2 -","- C92 H128 F24 Mn4 N20 O10 P4 S4 -","2","0.5","","Yan Poon, Penny Chaau; Dedushko, Maksym A.; Sun, Xianru; Yang, Guang; Toledo, Santiago; Hayes, Ellen C.; Johansen, Audra; Piquette, Marc C.; Rees, Julian A.; Stoll, Stefan; Rybak-Akimova, Elena; Kovacs, Julie A.","How Metal Ion Lewis Acidity and Steric Properties Influence the Barrier to Dioxygen Binding, Peroxo O-O Bond Cleavage, and Reactivity.","Journal of the American Chemical Society","2019","141","38","15046","15057","10.1021/jacs.9b04729","","","0.71073","MoKα","","0.0655","0.0371","","","0.0746","0.0839","","","","","","1.004","","","","has coordinates,has disorder","222004","2020-10-21","18:00:00",""
"4128974","14.031","0.0003","14.031","0.0003","14.0046","0.0009","90","","90","","120","","2387.69","0.17","296","2","296","2","200000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0638","0.0496","","","0.0895","0.0907","","","","","","0.784","","","","has coordinates","222005","2020-10-21","18:00:00",""
"4128975","13.766","0.0003","13.766","0.0003","13.2315","0.0009","90","","90","","120","","2171.48","0.16","296","2","296","2","3600000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0416","0.0416","","","0.1192","0.1192","","","","","","1.083","","","","has coordinates","222005","2020-10-21","18:00:00",""
"4128976","13.4668","0.0003","13.4668","0.0003","12.6496","0.0009","90","","90","","120","","1986.72","0.15","296","2","296","2","8700000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0426","0.0426","","","0.1118","0.1118","","","","","","1.053","","","","has coordinates","222005","2020-10-21","18:00:00",""
"4128977","13.3353","0.0004","13.3353","0.0004","12.4394","0.001","90","","90","","120","","1915.74","0.17","296","2","296","2","11500000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0385","0.0384","","","0.1018","0.1018","","","","","","1.049","","","","has coordinates","222005","2020-10-21","18:00:00",""
"4128978","13.2862","0.0004","13.2862","0.0004","12.3717","0.0009","90","","90","","120","","1891.31","0.16","296","2","296","2","12500000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0363","0.0362","","","0.0936","0.0936","","","","","","1.046","","","","has coordinates","222005","2020-10-21","18:00:00",""
"4128979","12.9856","0.0003","12.9856","0.0003","12.4479","0.001","90","","90","","120","","1817.82","0.16","296","2","296","2","14400000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu1.99933 I2 Se6 -","- Cu17.994 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.033","0.032","","","0.089","0.0895","","","","","","1.131","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128980","12.8911","0.0003","12.8911","0.0003","12.33","0.0009","90","","90","","120","","1774.49","0.14","296","2","296","2","16700000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0373","0.0373","","","0.0954","0.0954","","","","","","1.018","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128981","12.8125","0.0004","12.8125","0.0004","12.2065","0.001","90","","90","","120","","1735.36","0.16","296","2","296","2","19200000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu1.99933 I2 Se6 -","- Cu17.994 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0464","0.0464","","","0.1134","0.1134","","","","","","1.119","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128982","13.0793","0.0004","13.0793","0.0004","11.1844","0.0011","90","","90","","120","","1656.96","0.18","296","2","296","2","22000000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2.00067 I2 Se6 -","- Cu18.006 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0585","0.0585","","","0.1437","0.1437","","","","","","1.298","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128983","13.0111","0.0004","13.0111","0.0004","11.0956","0.0011","90","","90","","120","","1626.71","0.18","296","2","296","2","24200000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2.00067 I2 Se6 -","- Cu18.006 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.061","0.061","","","0.1498","0.1498","","","","","","1.229","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128984","12.939","0.0006","12.939","0.0006","10.9066","0.0017","90","","90","","120","","1581.3","0.3","296","2","296","2","27800000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2.00067 I2 Se6 -","- Cu18.006 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0603","0.0603","","","0.1454","0.1454","","","","","","1.174","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128985","12.8949","0.0006","12.8949","0.0006","10.7489","0.0015","90","","90","","120","","1547.9","0.2","296","2","296","2","31600000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0546","0.0546","","","0.1453","0.1453","","","","","","1.248","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128986","12.7831","0.0007","12.7831","0.0007","10.596","0.002","90","","90","","120","","1499.5","0.3","296","2","296","2","35800000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2.00067 I2 Se6 -","- Cu18.006 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0651","0.0651","","","0.1739","0.1739","","","","","","1.275","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128987","8.9454","0.0009","11.7746","0.0013","20.35","0.003","90","","90","","90","","2143.4","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br2 N2 Ni O2 -","- C21 H22 Br2 N2 Ni O2 -","- C84 H88 Br8 N8 Ni4 O8 -","4","1","","Yin, Haolin; Fu, Gregory C.","Mechanistic Investigation of Enantioconvergent Kumada Reactions of Racemic α-Bromoketones Catalyzed by a Nickel/Bis(oxazoline) Complex.","Journal of the American Chemical Society","2019","141","38","15433","15440","10.1021/jacs.9b08185","","","0.71073","MoKα","","0.0214","0.0184","","","0.0419","0.0425","","","","","","1.043","","","","has coordinates","222006","2020-10-21","18:00:00",""
"4128988","9.457","0.002","13.597","0.003","15.622","0.004","90","","90","","90","","2008.8","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","((R,R)-Ph-BOX)NiBr","","","- C21 H22 Br N2 Ni O2 -","- C21 H22 Br N2 Ni O2 -","- C84 H88 Br4 N8 Ni4 O8 -","4","1","","Yin, Haolin; Fu, Gregory C.","Mechanistic Investigation of Enantioconvergent Kumada Reactions of Racemic α-Bromoketones Catalyzed by a Nickel/Bis(oxazoline) Complex.","Journal of the American Chemical Society","2019","141","38","15433","15440","10.1021/jacs.9b08185","","","0.71073","MoKα","","0.0612","0.0335","","","0.0511","0.0566","","","","","","0.988","","","","has coordinates,has disorder","222006","2020-10-21","18:00:00",""
"4128989","9.754","0.0005","17.1117","0.0016","26.83","0.003","90","","90","","90","","4478.1","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C55 H51 Br N2 Ni O3 -","- C55 H51 Br N2 Ni O3 -","- C220 H204 Br4 N8 Ni4 O12 -","4","1","","Yin, Haolin; Fu, Gregory C.","Mechanistic Investigation of Enantioconvergent Kumada Reactions of Racemic α-Bromoketones Catalyzed by a Nickel/Bis(oxazoline) Complex.","Journal of the American Chemical Society","2019","141","38","15433","15440","10.1021/jacs.9b08185","","","1.54184","CuKα","","0.0501","0.0452","","","0.1112","0.1144","","","","","","1.029","","","","has coordinates","222006","2020-10-21","18:00:00",""
"4128990","13.2918","0.0015","16.122","0.003","17.053","0.003","90","","93.901","0.005","90","","3645.8","1","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","SiP3FeCCH","","- C38 H55 Fe P3 Si -","- C38 H55 Fe P3 Si -","- C152 H220 Fe4 P12 Si4 -","4","1","","Citek, Cooper; Oyala, Paul H.; Peters, Jonas C.","Mononuclear Fe(I) and Fe(II) Acetylene Adducts and Their Reductive Protonation to Terminal Fe(IV) and Fe(V) Carbynes.","Journal of the American Chemical Society","2019","141","38","15211","15221","10.1021/jacs.9b06987","","","0.71073","MoKα","","0.0524","0.034","","","0.0783","0.0853","","","","","","1.045","","","","has coordinates","222007","2020-10-21","18:00:00",""
"4128991","12.847","0.004","38.23","0.011","14.423","0.004","90","","92.285","0.012","90","","7078","4","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H68 B F24 Fe P3 Si -","- C70 H68 B F24 Fe P3 Si -","- C280 H272 B4 F96 Fe4 P12 Si4 -","4","1","","Citek, Cooper; Oyala, Paul H.; Peters, Jonas C.","Mononuclear Fe(I) and Fe(II) Acetylene Adducts and Their Reductive Protonation to Terminal Fe(IV) and Fe(V) Carbynes.","Journal of the American Chemical Society","2019","141","38","15211","15221","10.1021/jacs.9b06987","","","0.71073","MoKα","","0.0868","0.0742","","","0.16","0.1649","","","","","","1.246","","","","has coordinates,has disorder","222007","2020-10-21","18:00:00",""
"4128992","13.2971","0.0008","16.145","0.0009","17.0059","0.001","90","","92.999","0.003","90","","3645.9","0.4","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","SiP3FeCCH3","","- C37.83 H56.75 Cl0.08 Fe P3 Si -","- C37.832 H56.748 Cl0.084 Fe P3 Si -","- C151.328 H226.992 Cl0.336 Fe4 P12 Si4 -","4","1","","Citek, Cooper; Oyala, Paul H.; Peters, Jonas C.","Mononuclear Fe(I) and Fe(II) Acetylene Adducts and Their Reductive Protonation to Terminal Fe(IV) and Fe(V) Carbynes.","Journal of the American Chemical Society","2019","141","38","15211","15221","10.1021/jacs.9b06987","","","0.71073","MoKα","","0.0382","0.0288","","","0.0757","0.0819","","","","","","1.037","","","","has coordinates,has disorder","222007","2020-10-21","18:00:00",""
"4128993","13.173","0.005","15.284","0.006","20.312","0.007","90","","90","","90","","4090","3","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","SiP3FeCCH3OTf","","- C39 H57 F3 Fe O3 P3 S Si -","- C39 H57 F3 Fe O3 P3 S Si -","- C156 H228 F12 Fe4 O12 P12 S4 Si4 -","4","1","","Citek, Cooper; Oyala, Paul H.; Peters, Jonas C.","Mononuclear Fe(I) and Fe(II) Acetylene Adducts and Their Reductive Protonation to Terminal Fe(IV) and Fe(V) Carbynes.","Journal of the American Chemical Society","2019","141","38","15211","15221","10.1021/jacs.9b06987","","","0.71073","MoKα","","0.0733","0.0457","","","0.0881","0.0987","","","","","","1.025","","","","has coordinates,has disorder","222007","2020-10-21","18:00:00",""
"4128994","11.6451","0.0003","21.3404","0.0005","14.8565","0.0004","90","","95.918","0.002","90","","3672.33","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H38 N14 O6 -","- C39 H38 N14 O6 -","- C156 H152 N56 O24 -","4","1","","de Bettencourt-Dias, Ana; Beeler, Rose M.; Zimmerman, Joshua R.","Anion-π and H-Bonding Interactions Supporting Encapsulation of [Ln(NO<sub>3</sub>)<sub>6/5</sub>]<sup>3-/2-</sup> (Ln = Nd, Er) with a Triazine-Based Ligand.","Journal of the American Chemical Society","2019","141","38","15102","15110","10.1021/jacs.9b05566","","","0.71073","MoKα","","0.1266","0.0669","","","0.144","0.1735","","","","","","0.992","","","","has coordinates","222008","2020-10-21","18:00:00",""
"4128995","41.1586","0.0006","11.1026","0.0002","14.8734","0.0002","90","","98.864","0.001","90","","6715.49","0.18","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C39 H36 N12 -","- C39 H36 N12 -","- C312 H288 N96 -","8","1","","de Bettencourt-Dias, Ana; Beeler, Rose M.; Zimmerman, Joshua R.","Anion-π and H-Bonding Interactions Supporting Encapsulation of [Ln(NO<sub>3</sub>)<sub>6/5</sub>]<sup>3-/2-</sup> (Ln = Nd, Er) with a Triazine-Based Ligand.","Journal of the American Chemical Society","2019","141","38","15102","15110","10.1021/jacs.9b05566","","","0.71073","MoKα","","0.0609","0.055","","","0.138","0.1451","","","","","","1.052","","","","has coordinates","222009","2020-10-21","18:00:00",""
"4128996","12.163","0.0003","12.2694","0.0003","17.6357","0.0005","94.394","0.001","92.077","0.001","95.134","0.001","2611.1","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H42 N20 Nd O18 -","- C43 H42 N20 Nd O18 -","- C86 H84 N40 Nd2 O36 -","2","1","","de Bettencourt-Dias, Ana; Beeler, Rose M.; Zimmerman, Joshua R.","Anion-π and H-Bonding Interactions Supporting Encapsulation of [Ln(NO<sub>3</sub>)<sub>6/5</sub>]<sup>3-/2-</sup> (Ln = Nd, Er) with a Triazine-Based Ligand.","Journal of the American Chemical Society","2019","141","38","15102","15110","10.1021/jacs.9b05566","","","0.71073","MoKα","","0.0583","0.0419","","","0.1052","0.1223","","","","","","1.111","","","","has coordinates","222010","2020-10-21","18:00:00",""
"4128997","14.3372","0.0004","17.1271","0.0004","25.2207","0.0007","89.822","0.002","74.953","0.002","83.091","0.002","5934.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H88 Er3 N43 O47 -","- C86 H84 Er3 N43 O47 -","- C172 H168 Er6 N86 O94 -","2","1","","de Bettencourt-Dias, Ana; Beeler, Rose M.; Zimmerman, Joshua R.","Anion-π and H-Bonding Interactions Supporting Encapsulation of [Ln(NO<sub>3</sub>)<sub>6/5</sub>]<sup>3-/2-</sup> (Ln = Nd, Er) with a Triazine-Based Ligand.","Journal of the American Chemical Society","2019","141","38","15102","15110","10.1021/jacs.9b05566","","","0.71073","MoKα","","0.0802","0.0693","","","0.1553","0.1607","","","","","","1.198","","","","has coordinates,has disorder","222011","2020-10-21","18:00:00",""
"4128998","10.77","0.006","10.98","0.006","28.973","0.017","90","","90","","90","","3426","3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H53 Li2 N6 O P -","- C30 H53 Li2 N6 O P -","- C120 H212 Li8 N24 O4 P4 -","4","1","","Gladfelder, Joshua J.; Ghosh, Santanu; Podunavac, Maša; Cook, Andrew W.; Ma, Yun; Woltornist, Ryan A.; Keresztes, Ivan; Hayton, Trevor W.; Collum, David B.; Zakarian, Armen","Enantioselective Alkylation of 2-Alkylpyridines Controlled by Organolithium Aggregation.","Journal of the American Chemical Society","2019","141","38","15024","15028","10.1021/jacs.9b08659","","","0.71073","MoKα","","0.2208","0.0886","","","0.1411","0.1725","","","","","","1.095","","","","has coordinates","222012","2020-10-21","18:00:00",""
"4128999","14.958","0.006","15.579","0.007","30.593","0.01","90","","90","","90","","7129","5","105","2","105","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H57 Li2 N6 O2 P -","- C32 H57 Li2 N6 O2 P -","- C256 H456 Li16 N48 O16 P8 -","8","2","","Gladfelder, Joshua J.; Ghosh, Santanu; Podunavac, Maša; Cook, Andrew W.; Ma, Yun; Woltornist, Ryan A.; Keresztes, Ivan; Hayton, Trevor W.; Collum, David B.; Zakarian, Armen","Enantioselective Alkylation of 2-Alkylpyridines Controlled by Organolithium Aggregation.","Journal of the American Chemical Society","2019","141","38","15024","15028","10.1021/jacs.9b08659","","","0.71073","MoKα","","0.1483","0.0863","","","0.1422","0.1561","","","","","","1.452","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4129000","12.4631","0.0002","22.4492","0.0004","30.1","0.0006","90","","91.654","0.001","90","","8418.1","0.3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C106 H111 Cl3 O8 -","- C106 H111 Cl3 O8 -","- C424 H444 Cl12 O32 -","4","1","","Nishigaki, Shuhei; Shibata, Yu; Nakajima, Atsuya; Okajima, Hajime; Masumoto, Yui; Osawa, Taisei; Muranaka, Atsuya; Sugiyama, Haruki; Horikawa, Ayano; Uekusa, Hidehiro; Koshino, Hiroyuki; Uchiyama, Masanobu; Sakamoto, Akira; Tanaka, Ken","Synthesis of Belt- and Möbius-Shaped Cycloparaphenylenes by Rhodium-Catalyzed Alkyne Cyclotrimerization.","Journal of the American Chemical Society","2019","141","38","14955","14960","10.1021/jacs.9b06197","","x-ray","1.54186","CuKα","","0.07","0.0586","","","0.1587","0.1703","","","","","","1.066","","","","has coordinates,has disorder","222014","2020-10-21","18:00:00",""
"4129001","6.2514","0.0019","7.289","0.002","29.77","0.009","90","","90","","90","","1356.5","0.7","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N3 -","- C16 H19 N3 -","- C64 H76 N12 -","4","1","","Halabi, Jad Mahmoud; Ahmed, Ejaz; Catalano, Luca; Karothu, Durga Prasad; Rezgui, Rachid; Naumov, Panče","Spatial Photocontrol of the Optical Output from an Organic Crystal Waveguide.","Journal of the American Chemical Society","2019","141","38","14966","14970","10.1021/jacs.9b07645","","x-ray","0.71073","MoKα","","0.059","0.0497","","","0.1013","0.1041","","","","","","1.062","","","","has coordinates","222015","2020-10-21","18:00:00",""
"4129002","9.2363","0.0016","8.7977","0.0009","45.59","0.01","90","","106.45","0.02","90","","3552.9","1.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H33 N3 S2 -","- C47 H33 N3 S2 -","- C188 H132 N12 S8 -","4","1","","Niu, Guangle; Zheng, Xiuli; Zhao, Zheng; Zhang, Haoke; Wang, Jianguo; He, Xuewen; Chen, Yuncong; Shi, Xiujuan; Ma, Chao; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Wong, Kam Sing; Wang, Pengfei; Tang, Ben Zhong","Functionalized Acrylonitriles with Aggregation-Induced Emission: Structure Tuning by Simple Reaction-Condition Variation, Efficient Red Emission, and Two-Photon Bioimaging.","Journal of the American Chemical Society","2019","141","38","15111","15120","10.1021/jacs.9b06196","","x-ray","1.54184","CuKα","","0.0821","0.0625","","","0.1336","0.143","","","","","","1.003","","","","has coordinates","222016","2020-10-21","18:00:00",""
"4129003","17.4002","0.0004","20.7307","0.0005","23.4789","0.0006","90","","90","","90","","8469.3","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C47 H64 Co N3 -","- C47 H64 Co N3 -","- C376 H512 Co8 N24 -","8","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.0878","0.0633","","","0.1493","0.1613","","","","","","1.082","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129004","10.9033","0.0009","12.0359","0.0011","25.14","0.002","90","","90","","90","","3299.1","0.5","100","","100","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C37 H49 N O -","- C37 H49 N O -","- C148 H196 N4 O4 -","4","0.5","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.0572","0.0443","","","0.1142","0.1223","","","","","","1.04","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129005","23.0483","0.0013","14.029","0.0009","27.3737","0.0018","90","","90","","90","","8851.1","1","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C47 H64 Co I2 N -","- C47 H64 Co I2 N -","- C376 H512 Co8 I16 N8 -","8","2","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.0567","0.0405","","","0.0818","0.0897","","","","","","1.034","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129006","17.8319","0.0019","13.874","0.002","19.914","0.003","90","","105.928","0.006","90","","4737.6","1.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H74 Co N -","- C52.9196 H73.8928 Co N -","- C211.678 H295.571 Co4 N4 -","4","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.1559","0.1454","","","0.3041","0.3088","","","","","","1.365","","","","has coordinates,has disorder","222017","2020-10-21","18:00:00",""
"4129007","13.5984","0.0011","17.629","0.0012","23.0085","0.0018","90","","90.367","0.005","90","","5515.6","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H79 Co N P -","- C65 H79 Co N P -","- C260 H316 Co4 N4 P4 -","4","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.1271","0.058","","","0.1076","0.1287","","","","","","1","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129008","17.3101","0.0007","20.4836","0.0008","23.4544","0.0011","90","","90","","90","","8316.3","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H65 Co N O -","- C47 H65 Co N O -","- C376 H520 Co8 N8 O8 -","8","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.1028","0.0593","","","0.1408","0.16","","","","","","1.022","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129009","17.4228","0.0007","20.6348","0.0009","23.3437","0.0011","90","","90","","90","","8392.4","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H64 Co N3 O -","- C47 H64 Co N3 O -","- C376 H512 Co8 N24 O8 -","8","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.0978","0.0743","","","0.1637","0.1758","","","","","","1.062","","","","has coordinates,has disorder","222017","2020-10-21","18:00:00",""
"4129010","18.4221","0.0006","17.1331","0.0004","36.3469","0.001","90","","90","","90","","11472.1","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H89 Co N2 O2 Si2 -","- C60 H89 Co N2 O2 Si2 -","- C480 H712 Co8 N16 O16 Si16 -","8","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","1.54178","CuKα","","0.0879","0.0472","","","0.0906","0.1047","","","","","","1.022","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129011","13.5872","0.0003","13.3149","0.0002","22.6201","0.0004","90","","103.353","0.007","90","","3981.62","0.17","200","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(dppp)Pt{CNC6H3(CH=C=CH2)COOMe}Me]Cl-CHCl3","","- C41 H39 Cl4 N O2 P2 Pt -","- C41 H39 Cl4 N O2 P2 Pt -","- C164 H156 Cl16 N4 O8 P8 Pt4 -","4","1","","Kanbayashi, Naoya; Okamura, Taka-Aki; Onitsuka, Kiyotaka","Living Cyclocopolymerization through Alternating Insertion of Isocyanide and Allene via Controlling the Reactivity of the Propagation Species: Detailed Mechanistic Investigation.","Journal of the American Chemical Society","2019","141","38","15307","15317","10.1021/jacs.9b07431","","","0.71075","MoKα","","0.0321","0.0256","","","0.0597","0.0617","","","","","","1.07","","","","has coordinates","222018","2020-10-21","18:00:00",""
"4129012","23.3425","0.0006","17.6797","0.0004","24.6828","0.0008","90","","90","","90","","10186.3","0.5","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C112 H138 B2 N10 Si4 -","- C112 H138 B2 N10 Si4 -","- C448 H552 B8 N40 Si16 -","4","0.5","","Sun, Xiaofei; Simler, Thomas; Yadav, Ravi; Köppe, Ralf; Roesky, Peter W.","A Stable Aromatic Tetrasilacyclobutadiene Dication.","Journal of the American Chemical Society","2019","141","38","14987","14990","10.1021/jacs.9b08018","","","0.71073","MoKα","","0.1466","0.0851","","","0.2033","0.2381","","","","","","1.051","","","","has coordinates,has disorder","222019","2020-10-21","18:00:00",""
"4129013","23.0452","0.0002","17.8779","0.0002","25.1244","0.0003","90","","90","","90","","10351.2","0.19","130","","130","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C113.34 H138.02 B2 N10 Si4 -","- C113.34 H138.02 B2 N10 Si4 -","- C453.36 H552.08 B8 N40 Si16 -","4","0.5","","Sun, Xiaofei; Simler, Thomas; Yadav, Ravi; Köppe, Ralf; Roesky, Peter W.","A Stable Aromatic Tetrasilacyclobutadiene Dication.","Journal of the American Chemical Society","2019","141","38","14987","14990","10.1021/jacs.9b08018","","","1.34143","GaKα","","0.0693","0.061","","","0.1648","0.1707","","","","","","1.048","","","","has coordinates,has disorder","222020","2020-10-21","18:00:00",""
"4129014","23.2625","0.0004","17.5096","0.0008","24.5181","0.0006","90","","90","","90","","9986.6","0.5","150.15","","150.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C112 H140 B2 N8 O Si4 -","- C112 H140 B2 N8 O Si4 -","- C448 H560 B8 N32 O4 Si16 -","4","0.5","","Sun, Xiaofei; Simler, Thomas; Yadav, Ravi; Köppe, Ralf; Roesky, Peter W.","A Stable Aromatic Tetrasilacyclobutadiene Dication.","Journal of the American Chemical Society","2019","141","38","14987","14990","10.1021/jacs.9b08018","","","1.34143","GaKα","","0.057","0.0443","","","0.1232","0.1321","","","","","","1.051","","","","has coordinates,has disorder","222021","2020-10-21","18:00:00",""
"4129015","13.1535","0.0007","18.2025","0.0009","17.8085","0.0009","90","","107.602","0.002","90","","4064.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H41 Cu O3 P2 -","- C49 H41 Cu O3 P2 -","- C196 H164 Cu4 O12 P8 -","4","1","","van Vliet, Kaj M.; Polak, Lara H.; Siegler, Maxime A.; van der Vlugt, Jarl Ivar; Guerra, Célia Fonseca; de Bruin, Bas","Efficient Copper-Catalyzed Multicomponent Synthesis of <i>N-</i>Acyl Amidines via Acyl Nitrenes.","Journal of the American Chemical Society","2019","141","38","15240","15249","10.1021/jacs.9b07140","","","0.71073","MoKα","","0.054","0.0389","","","0.0949","0.1087","","","","","","1.065","","","","has coordinates,has disorder","222022","2020-10-21","18:00:00",""
"4129016","17.019","0.003","19.261","0.003","28.579","0.004","93.223","0.005","100.749","0.005","90.782","0.003","9187","3","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C189 H162 Au13 Cl3 F12 N18 P2 -","- C189 H162 Au13 Cl3 F12 N18 P2 -","- C378 H324 Au26 Cl6 F24 N36 P4 -","2","1","","Narouz, Mina R.; Takano, Shinjiro; Lummis, Paul A.; Levchenko, Tetyana I.; Nazemi, Ali; Kaappa, Sami; Malola, Sami; Yousefalizadeh, Goonay; Calhoun, Larry A.; Stamplecoskie, Kevin G.; Häkkinen, Hannu; Tsukuda, Tatsuya; Crudden, Cathleen M.","Robust, Highly Luminescent Au<sub>13</sub> Superatoms Protected by N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2019","141","38","14997","15002","10.1021/jacs.9b07854","","","0.71075","MoKα","","0.0962","0.0805","","","0.2","0.2134","","","","","","1.088","","","","has coordinates","222023","2020-10-21","18:00:00",""
"4129017","12.858","0.002","10.2977","0.0015","29","0.004","90","","90","","90","","3839.8","1","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H23 Br N O7.5 -","- C17 H23 Br N O7.5 -","- C136 H184 Br8 N8 O60 -","8","2","","Hu, Xiaoran; Zeng, Tian; Husic, Corey C.; Robb, Maxwell J.","Mechanically Triggered Small Molecule Release from a Masked Furfuryl Carbonate.","Journal of the American Chemical Society","2019","141","38","15018","15023","10.1021/jacs.9b08663","","","1.54178","CuKα","","0.087","0.0667","","","0.1871","0.2044","","","","","","1.076","","","","has coordinates,has disorder","222024","2020-10-21","18:00:00",""
"4129018","10.8676","0.0007","12.3856","0.0008","12.9182","0.0008","115.312","0.001","95.615","0.001","97.369","0.001","1536.12","0.17","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H43 N3 Si3 V -","- C27 H43 N3 Si3 V -","- C54 H86 N6 Si6 V2 -","2","1","","Zhang, Guoqi; Wu, Jing; Zheng, Shengping; Neary, Michelle C.; Mao, Jincheng; Flores, Marco; Trovitch, Ryan J.; Dub, Pavel A.","Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C═X (X = O, N) Functionalities.","Journal of the American Chemical Society","2019","141","38","15230","15239","10.1021/jacs.9b07062","","","0.71073","MoKα","","0.0973","0.0499","","","0.108","0.1293","","","","","","1.012","","","","has coordinates","222025","2020-10-21","18:00:00",""
"4129019","10.8649","0.0009","12.4225","0.001","13.0617","0.0011","115.202","0.004","96.239","0.004","96.088","0.004","1562.8","0.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H43.44 N3 Si3 V -","- C27 H43.45 N3 Si3 V -","- C54 H86.9 N6 Si6 V2 -","2","1","","Zhang, Guoqi; Wu, Jing; Zheng, Shengping; Neary, Michelle C.; Mao, Jincheng; Flores, Marco; Trovitch, Ryan J.; Dub, Pavel A.","Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C═X (X = O, N) Functionalities.","Journal of the American Chemical Society","2019","141","38","15230","15239","10.1021/jacs.9b07062","","","0.71073","MoKα","","0.115","0.059","","","0.1173","0.1524","","","","","","1.062","","","","has coordinates,has disorder","222026","2020-10-21","18:00:00",""
"4129020","15.9192","0.0011","9.2597","0.0005","19.7266","0.0012","90","","91.164","0.003","90","","2907.2","0.3","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 N3 Si2 V -","- C29 H37 N3 Si2 V -","- C116 H148 N12 Si8 V4 -","4","1","","Zhang, Guoqi; Wu, Jing; Zheng, Shengping; Neary, Michelle C.; Mao, Jincheng; Flores, Marco; Trovitch, Ryan J.; Dub, Pavel A.","Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C═X (X = O, N) Functionalities.","Journal of the American Chemical Society","2019","141","38","15230","15239","10.1021/jacs.9b07062","","","0.71073","MoKα","","0.0842","0.044","","","0.0976","0.1146","","","","","","1.042","","","","has coordinates","222027","2020-10-21","18:00:00",""
"4129021","17.5887","0.0018","5.0205","0.0005","10.2381","0.0011","90","","90","","90","","904.07","0.16","240","2","240","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H12 Cl N -","- C8 H12 Cl N -","- C32 H48 Cl4 N4 -","4","1","","Zhang, Guoqi; Wu, Jing; Zheng, Shengping; Neary, Michelle C.; Mao, Jincheng; Flores, Marco; Trovitch, Ryan J.; Dub, Pavel A.","Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C═X (X = O, N) Functionalities.","Journal of the American Chemical Society","2019","141","38","15230","15239","10.1021/jacs.9b07062","","","0.71073","MoKα","","0.0765","0.0377","","","0.0735","0.0862","","","","","","1.019","","","","has coordinates","222028","2020-10-21","18:00:00",""
"4129022","28.714","0.002","21.1265","0.0007","10.946","0.0003","90","","90","","90","","6640.1","0.5","293","","293.15","","","","","","","","","4","P n n a","-P 2a 2bc","52","","MUF-15","","- C32 H61 Co3 O24 -","- C20 H13 Co3 O12 -","- C160 H104 Co24 O96 -","8","1","","Qazvini, Omid T.; Babarao, Ravichandar; Shi, Zhao-Lin; Zhang, Yue-Biao; Telfer, Shane G.","A Robust Ethane-Trapping Metal-Organic Framework with a High Capacity for Ethylene Purification.","Journal of the American Chemical Society","2019","141","12","5014","5020","10.1021/jacs.9b00913","","","1.54178","CuKα","","0.1056","0.0878","","","0.2481","0.268","","","","","","1.16","","","","has coordinates,has disorder","222029","2020-10-21","18:00:00",""
"4129023","6.3267","0.0002","8.6439","0.0003","29.68","0.002","90","","90","","90","","1623.12","0.13","95","","95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O5 -","- C19 H26 O5 -","- C76 H104 O20 -","4","1","","Khatri, Hem Raj; Bhattarai, Bijay; Kaplan, Will; Li, Zhongzheng; Curtis Long, Marcus John; Aye, Yimon; Nagorny, Pavel","Modular Total Synthesis and Cell-Based Anticancer Activity Evaluation of Ouabagenin and Other Cardiotonic Steroids with Varying Degrees of Oxygenation.","Journal of the American Chemical Society","2019","141","12","4849","4860","10.1021/jacs.8b12870","","x-ray","1.54178","CuKα","","0.0435","0.0415","","","0.1017","0.1111","","","","","","1.145","","","","has coordinates","222030","2020-10-21","18:00:00",""
"4129024","7.36657","0.00008","9.85708","0.00014","14.2852","0.00019","90","","94.3143","0.0011","90","","1034.35","0.02","85","2","85","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H34 O7 -","- C23 H34 O7 -","- C46 H68 O14 -","2","1","","Khatri, Hem Raj; Bhattarai, Bijay; Kaplan, Will; Li, Zhongzheng; Curtis Long, Marcus John; Aye, Yimon; Nagorny, Pavel","Modular Total Synthesis and Cell-Based Anticancer Activity Evaluation of Ouabagenin and Other Cardiotonic Steroids with Varying Degrees of Oxygenation.","Journal of the American Chemical Society","2019","141","12","4849","4860","10.1021/jacs.8b12870","","","1.54184","CuKα","","0.0393","0.0384","","","0.1025","0.105","","","","","","1.078","","","","has coordinates","222031","2020-10-21","18:00:00",""
"4129025","10.883","0.004","14.071","0.006","13.651","0.006","90","","105.587","0.011","90","","2013.6","1.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H31 N O -","- C24 H31 N O -","- C96 H124 N4 O4 -","4","2","","Xu, Jiasu; Rawal, Viresh H.","Total Synthesis of (-)-Ambiguine P.","Journal of the American Chemical Society","2019","141","12","4820","4823","10.1021/jacs.9b01739","","","0.71073","MoKα","","0.1015","0.0543","","","0.1276","0.1494","","","","","","1.028","","","","has coordinates","222032","2020-10-21","18:00:00",""
"4129026","16.1688","0.0006","18.0527","0.0008","18.8483","0.0008","63.1338","0.0018","76.4813","0.0019","68.8934","0.0019","4561.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C95.44 H136.52 Cl0.37 N6 O5.82 P -","- C95.445 H136.52 Cl0.37 N6 O5.815 P -","- C190.89 H273.04 Cl0.74 N12 O11.63 P2 -","2","1","","Zhao, Wei; Qiao, Bo; Tropp, Joshua; Pink, Maren; Azoulay, Jason D.; Flood, Amar H.","Linear Supramolecular Polymers Driven by Anion-Anion Dimerization of Difunctional Phosphonate Monomers Inside Cyanostar Macrocycles.","Journal of the American Chemical Society","2019","141","12","4980","4989","10.1021/jacs.9b00248","","","0.71073","MoKα","","0.1754","0.1139","","","0.3151","0.3375","","","","","","1.966","","","","has coordinates,has disorder","222033","2020-10-21","18:00:00",""
"4129027","12.7696","0.0006","13.2248","0.0006","15.5398","0.0007","98.656","0.001","107.333","0.001","113.731","0.001","2180.75","0.18","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H45 Au Cl3 N4 Ni P -","- C47 H45 Au Cl3 N4 Ni P -","- C94 H90 Au2 Cl6 N8 Ni2 P2 -","2","1","","Omori, Hiroto; Hiroto, Satoru; Takeda, Youhei; Fliegl, Heike; Minakata, Satoshi; Shinokubo, Hiroshi","Ni(II) 10-Phosphacorrole: A Porphyrin Analogue Containing Phosphorus at the Meso Position.","Journal of the American Chemical Society","2019","141","12","4800","4805","10.1021/jacs.8b13169","","","0.71073","MoKα","","0.0206","0.0202","","","0.0556","0.0559","","","","","","1.048","","","","has coordinates,has disorder","222034","2020-10-21","18:00:00",""
"4129028","16.4476","0.0003","24.3351","0.0004","40.0869","0.0005","90","","90","","90","","16044.9","0.4","107","2","107","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48.5 H45 N4 Ni O P -","- C48.5 H45 N4 Ni O P -","- C776 H720 N64 Ni16 O16 P16 -","16","2","","Omori, Hiroto; Hiroto, Satoru; Takeda, Youhei; Fliegl, Heike; Minakata, Satoshi; Shinokubo, Hiroshi","Ni(II) 10-Phosphacorrole: A Porphyrin Analogue Containing Phosphorus at the Meso Position.","Journal of the American Chemical Society","2019","141","12","4800","4805","10.1021/jacs.8b13169","","","0.71073","MoKα","","0.0654","0.0457","","","0.1215","0.138","","","","","","1.093","","","","has coordinates,has disorder","254431","2020-10-21","18:00:00",""
"4129029","16.0007","0.001","16.1997","0.001","17.7476","0.0012","100.329","0.002","115.508","0.002","101.094","0.002","3891.7","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C91 H83 Cl3 N8 Ni2 P2 -","- C91 H83 Cl3 N8 Ni2 P2 -","- C182 H166 Cl6 N16 Ni4 P4 -","2","1","","Omori, Hiroto; Hiroto, Satoru; Takeda, Youhei; Fliegl, Heike; Minakata, Satoshi; Shinokubo, Hiroshi","Ni(II) 10-Phosphacorrole: A Porphyrin Analogue Containing Phosphorus at the Meso Position.","Journal of the American Chemical Society","2019","141","12","4800","4805","10.1021/jacs.8b13169","","","0.71073","MoKα","","0.0488","0.0428","","","0.112","0.1216","","","","","","1.075","","","","has coordinates,has disorder","222036","2020-10-21","18:00:00",""
"4129030","7.8235","0.0001","8.2819","0.0001","16.211","0.0002","90","","96.355","0.001","90","","1043.91","0.02","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C46 H60 O8 -","2","1","","Wang, Yu; Ju, Wei; Tian, Hailong; Sun, Suyun; Li, Xinghui; Tian, Weisheng; Gui, Jinghan","Facile Access to Bridged Ring Systems via Point-to-Planar Chirality Transfer: Unified Synthesis of Ten Cyclocitrinols.","Journal of the American Chemical Society","2019","141","12","5021","5033","10.1021/jacs.9b00925","","","1.54178","CuKα","","0.0421","0.0411","","","0.1141","0.1153","","","","","","1.067","","","","has coordinates","222037","2020-10-21","18:00:00",""
"4129031","6.7003","0.0001","14.5512","0.0003","20.4826","0.0004","90","","90","","90","","1997","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C92 H120 O16 -","4","1","","Wang, Yu; Ju, Wei; Tian, Hailong; Sun, Suyun; Li, Xinghui; Tian, Weisheng; Gui, Jinghan","Facile Access to Bridged Ring Systems via Point-to-Planar Chirality Transfer: Unified Synthesis of Ten Cyclocitrinols.","Journal of the American Chemical Society","2019","141","12","5021","5033","10.1021/jacs.9b00925","","","1.54178","CuKα","","0.0382","0.0374","","","0.1049","0.1059","","","","","","1.051","","","","has coordinates","222038","2020-10-21","18:00:00",""
"4129032","5.0118","0.0008","9.3269","0.0017","32.56","0.005","90","","90","","90","","1522","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O -","- C19 H22 O -","- C76 H88 O4 -","4","1","","Wang, Yu; Ju, Wei; Tian, Hailong; Sun, Suyun; Li, Xinghui; Tian, Weisheng; Gui, Jinghan","Facile Access to Bridged Ring Systems via Point-to-Planar Chirality Transfer: Unified Synthesis of Ten Cyclocitrinols.","Journal of the American Chemical Society","2019","141","12","5021","5033","10.1021/jacs.9b00925","","","0.71073","MoKα","","0.1","0.0529","","","0.1131","0.1395","","","","","","1.064","","","","has coordinates","222039","2020-10-21","18:00:00",""
"4129033","11.4777","0.0005","11.7014","0.0005","15.3255","0.0006","97.482","0.001","90.147","0.001","118.95","0.001","1780.65","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 I O -","- C22 H17 I O -","- C88 H68 I4 O4 -","4","2","","Hu, Zhifei; Tang, Yu; Yu, Biao","Glycosylation with 3,5-Dimethyl-4-(2'-phenylethynylphenyl)phenyl (EPP) Glycosides via a Dearomative Activation Mechanism.","Journal of the American Chemical Society","2019","141","12","4806","4810","10.1021/jacs.9b00210","","","0.71073","MoKα","","0.0266","0.0216","","","0.0518","0.055","","","","","","1.033","","","","has coordinates","222040","2020-10-21","18:00:00",""
"4129034","22.1638","0.0012","15.0475","0.0009","7.499","0.0004","90","","90","","90","","2501","0.2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H13 I O -","- C14 H13 I O -","- C112 H104 I8 O8 -","8","1","","Hu, Zhifei; Tang, Yu; Yu, Biao","Glycosylation with 3,5-Dimethyl-4-(2'-phenylethynylphenyl)phenyl (EPP) Glycosides via a Dearomative Activation Mechanism.","Journal of the American Chemical Society","2019","141","12","4806","4810","10.1021/jacs.9b00210","","","0.71073","MoKα","","0.0621","0.056","","","0.1303","0.1341","","","","","","1.138","","","","has coordinates,has disorder","222041","2020-10-21","18:00:00",""
"4129035","10.7002","0.0004","23.8506","0.0008","22.5203","0.0008","90","","98.085","0.001","90","","5690.2","0.4","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H36 O10 -","- C36 H36 O10 -","- C216 H216 O60 -","6","3","","Hu, Zhifei; Tang, Yu; Yu, Biao","Glycosylation with 3,5-Dimethyl-4-(2'-phenylethynylphenyl)phenyl (EPP) Glycosides via a Dearomative Activation Mechanism.","Journal of the American Chemical Society","2019","141","12","4806","4810","10.1021/jacs.9b00210","","","1.34139","GaKα","","0.1336","0.102","","","0.2625","0.299","","","","","","1.067","","","","has coordinates","222042","2020-10-21","18:00:00",""
"4129036","6.8132","0.001","6.8132","0.001","16.166","0.003","90","","90","","90","","750.4","0.2","298","","298","","","","","","","","","6","P 42/m m c","-P 4c 2","131","CuNipdt2_act","","","- C8 H4 Cu N4 Ni S4 -","- C8 H4 Cu N4 Ni S4 -","- C16 H8 Cu2 N8 Ni2 S8 -","2","0.125","","Aubrey, Michael L.; Kapelewski, Matthew T.; Melville, Jonathan F.; Oktawiec, Julia; Presti, Davide; Gagliardi, Laura; Long, Jeffrey R.","Chemiresistive Detection of Gaseous Hydrocarbons and Interrogation of Charge Transport in Cu[Ni(2,3-pyrazinedithiolate)<sub>2</sub>] by Gas Adsorption.","Journal of the American Chemical Society","2019","141","12","5005","5013","10.1021/jacs.9b00654","powder diffraction","x-ray","0.45212","synchrotron","","","","","","","","","0.042","3.55","","","","","","","has coordinates","222043","2020-10-21","18:00:00",""
"4129037","6.8233","0.0008","6.8233","0.0008","16.1432","0.0016","90","","90","","90","","751.59","0.15","298","","298","","","","","","","","","6","P 42/m m c","-P 4c 2","131","CuNipdt2_C2H2","","","- C10 H6 Cu N4 Ni S4 -","- C10 H6 Cu N4 Ni S4 -","- C20 H12 Cu2 N8 Ni2 S8 -","2","0.125","","Aubrey, Michael L.; Kapelewski, Matthew T.; Melville, Jonathan F.; Oktawiec, Julia; Presti, Davide; Gagliardi, Laura; Long, Jeffrey R.","Chemiresistive Detection of Gaseous Hydrocarbons and Interrogation of Charge Transport in Cu[Ni(2,3-pyrazinedithiolate)<sub>2</sub>] by Gas Adsorption.","Journal of the American Chemical Society","2019","141","12","5005","5013","10.1021/jacs.9b00654","powder diffraction","x-ray","0.45212","synchrotron","","","","","","","","","0.029","2.75","","","","","","","has coordinates","222044","2020-10-21","18:00:00",""
"4129038","6.8342","0.0009","6.8342","0.0009","16.0964","0.0018","90","","90","","90","","751.8","0.16","298","","298","","","","","","","","","6","P 42/m m c","-P 4c 2","131","CuNipdt2_C2H4","","","- C2.4 H1.81 Cu0.25 N Ni0.25 S -","- C2.403 H1.8062 Cu0.25 N Ni0.25 S -","- C19.224 H14.4496 Cu2 N8 Ni2 S8 -","8","0.5","","Aubrey, Michael L.; Kapelewski, Matthew T.; Melville, Jonathan F.; Oktawiec, Julia; Presti, Davide; Gagliardi, Laura; Long, Jeffrey R.","Chemiresistive Detection of Gaseous Hydrocarbons and Interrogation of Charge Transport in Cu[Ni(2,3-pyrazinedithiolate)<sub>2</sub>] by Gas Adsorption.","Journal of the American Chemical Society","2019","141","12","5005","5013","10.1021/jacs.9b00654","powder diffraction","x-ray","0.45212","synchrotron","","","","","","","","","0.047","3.57","","","","","","","has coordinates","222045","2020-10-21","18:00:00",""
"4129039","9.491","0.002","6.116","0.0008","9.9296","0.0018","90","","101.54","0.02","90","","564.73","0.18","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H15 N O3 S -","- C10 H15 N O3 S -","- C20 H30 N2 O6 S2 -","2","1","","Yuan, Jingsong; Xiong, Wei; Zhou, Xuhao; Zhang, Yi; Shi, Dong; Li, Zichen; Lu, Hua","4-Hydroxyproline-Derived Sustainable Polythioesters: Controlled Ring-Opening Polymerization, Complete Recyclability, and Facile Functionalization.","Journal of the American Chemical Society","2019","141","12","4928","4935","10.1021/jacs.9b00031","","","0.71073","MoKα","","0.0586","0.0423","","","0.1054","0.1185","","","","","","0.809","","","","has coordinates","222046","2020-10-21","18:00:00",""
"4129040","8.7471","0.0001","8.7471","0.0001","32.7688","0.0014","90","","90","","90","","2507.2","0.11","180","0.1","180","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C104 H104 N8 O24 S8 -","8","1","","Yuan, Jingsong; Xiong, Wei; Zhou, Xuhao; Zhang, Yi; Shi, Dong; Li, Zichen; Lu, Hua","4-Hydroxyproline-Derived Sustainable Polythioesters: Controlled Ring-Opening Polymerization, Complete Recyclability, and Facile Functionalization.","Journal of the American Chemical Society","2019","141","12","4928","4935","10.1021/jacs.9b00031","","","0.71073","MoKα","","0.0355","0.0312","","","0.0791","0.081","","","","","","1.052","","","","has coordinates","222047","2020-10-21","18:00:00",""
"4129041","6.8458","0.0003","11.2304","0.0004","16.4338","0.0006","90","","99.126","0.002","90","","1247.46","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 Br N2 Ni -","- C24 H40 Br N2 Ni -","- C48 H80 Br2 N4 Ni2 -","2","1","","Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J.","Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals.","Journal of the American Chemical Society","2019","141","12","5034","5044","10.1021/jacs.9b00939","","","1.54178","CuKα","","0.0377","0.0353","","","0.08","0.0818","","","","","","1.115","","","","has coordinates","222048","2020-10-21","18:00:00",""
"4129042","6.849","0.003","11.091","0.005","32.493","0.013","90","","93.69","0.015","90","","2463.1","1.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 Cl N2 Ni -","- C24 H40 Cl N2 Ni -","- C96 H160 Cl4 N8 Ni4 -","4","2","","Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J.","Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals.","Journal of the American Chemical Society","2019","141","12","5034","5044","10.1021/jacs.9b00939","","","0.71073","MoKα","","0.0698","0.0652","","","0.1475","0.1492","","","","","","1.359","","","","has coordinates","222048","2020-10-21","18:00:00",""
"4129043","7.7891","0.0004","22.175","0.0011","28.51","0.0014","90","","90","","90","","4924.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 I N2 Ni -","- C24 H40 I N2 Ni -","- C192 H320 I8 N16 Ni8 -","8","2","","Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J.","Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals.","Journal of the American Chemical Society","2019","141","12","5034","5044","10.1021/jacs.9b00939","","","1.54178","CuKα","","0.0442","0.0412","","","0.0944","0.0962","","","","","","1.207","","","","has coordinates","222048","2020-10-21","18:00:00",""
"4129044","13.0031","0.0005","13.3258","0.0005","14.169","0.0006","90","","90","","90","","2455.16","0.17","300","2","300","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H40 N2 Ni -","- C24 H40 N2 Ni -","- C96 H160 N8 Ni4 -","4","1","","Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J.","Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals.","Journal of the American Chemical Society","2019","141","12","5034","5044","10.1021/jacs.9b00939","","","0.71073","MoKα","","0.0505","0.0432","","","0.1081","0.1161","","","","","","1.148","","","","has coordinates","222048","2020-10-21","18:00:00",""
"4129045","13.3155","0.0004","12.3857","0.0003","13.9317","0.0004","90","","104.318","0.001","90","","2226.27","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H72 Br2 N4 Ni2 -","- C44 H72 Br2 N4 Ni2 -","- C88 H144 Br4 N8 Ni4 -","2","1","","Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J.","Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals.","Journal of the American Chemical Society","2019","141","12","5034","5044","10.1021/jacs.9b00939","","","1.54178","CuKα","","0.0207","0.0206","","","0.0513","0.0514","","","","","","1.05","","","","has coordinates","222048","2020-10-21","18:00:00",""
"4129046","10.145","0.002","19.61","0.004","11.073","0.002","90","","90.77","0.03","90","","2202.7","0.7","153","2","153.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 B F2 I N O2 -","- C27 H19 B F2 I N O2 -","- C108 H76 B4 F8 I4 N4 O8 -","4","1","","Wang, Xiao-Fang; Xiao, Hongyan; Chen, Peng-Zhong; Yang, Qing-Zheng; Chen, Bin; Tung, Chen-Ho; Chen, Yu-Zhe; Wu, Li-Zhu","Pure Organic Room Temperature Phosphorescence from Excited Dimers in Self-Assembled Nanoparticles under Visible and Near-Infrared Irradiation in Water.","Journal of the American Chemical Society","2019","141","12","5045","5050","10.1021/jacs.9b00859","","","0.71073","MoKα","","0.0918","0.0777","","","0.2364","0.2726","","","","","","1.222","","","","has coordinates","222049","2020-10-21","18:00:00",""
"4129047","10.217","0.002","19.415","0.004","10.927","0.002","90","","90.86","0.03","90","","2167.3","0.7","153","2","153.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 B Br F2 N O2 -","- C27 H19 B Br F2 N O2 -","- C108 H76 B4 Br4 F8 N4 O8 -","4","1","","Wang, Xiao-Fang; Xiao, Hongyan; Chen, Peng-Zhong; Yang, Qing-Zheng; Chen, Bin; Tung, Chen-Ho; Chen, Yu-Zhe; Wu, Li-Zhu","Pure Organic Room Temperature Phosphorescence from Excited Dimers in Self-Assembled Nanoparticles under Visible and Near-Infrared Irradiation in Water.","Journal of the American Chemical Society","2019","141","12","5045","5050","10.1021/jacs.9b00859","","","0.71073","MoKα","","0.082","0.0694","","","0.1963","0.2277","","","","","","1.199","","","","has coordinates","222050","2020-10-21","18:00:00",""
"4129048","9.9099","0.0017","9.9099","0.0017","9.9099","0.0017","90","","90","","90","","973.2","0.3","298","","298","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","yttrium manganese oxide","diyttrium dimanganese(IV) heptoxide","","- Mn2 O7 Y2 -","- Mn2 O6.998 Y2 -","- Mn16 O55.984 Y16 -","8","0.0416667","","Todd, Paul K.; Neilson, James R.","Selective Formation of Yttrium Manganese Oxides through Kinetically Competent Assisted Metathesis Reactions.","Journal of the American Chemical Society","2019","141","3","1191","1195","10.1021/jacs.8b10123","","","1.54","neutron","","","","","","","","","","","","","","","","","has coordinates","222051","2020-10-21","18:00:00",""
"4129049","5.6452","0.0004","7.3942","0.0004","5.2218","0.0003","90","","90","","90","","217.97","0.02","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","Yttrium manganese oxide","Yttrium trimanganese(III) trioxide","","- Mn O3.11 Y -","- Mn O3.11 Y -","- Mn4 O12.44 Y4 -","4","0.5","","Todd, Paul K.; Neilson, James R.","Selective Formation of Yttrium Manganese Oxides through Kinetically Competent Assisted Metathesis Reactions.","Journal of the American Chemical Society","2019","141","3","1191","1195","10.1021/jacs.8b10123","","","1.54","neutron","","","","","","","","","","10.282","","","","","","","has coordinates","222052","2020-10-21","18:00:00",""
"4129050","8.4738","0.00019","14.00094","0.00036","11.47243","0.00031","90","","125.365","0.00084","90","","1109.95","0.05","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Lukin, Stipe; Tireli, Martina; Stolar, Tomislav; Barišić, Dajana; Blanco, Maria Valeria; di Michiel, Marco; Užarević, Krunoslav; Halasz, Ivan","Isotope Labeling Reveals Fast Atomic and Molecular Exchange in Mechanochemical Milling Reactions.","Journal of the American Chemical Society","2019","141","3","1212","1216","10.1021/jacs.8b12149","powder diffraction","","1.5418","CuKα","","","","","","","","0.025","","2.71","","","","","","","has coordinates","222053","2020-10-21","18:00:00",""
"4129051","17.4837","0.0014","17.4837","0.0014","29.713","0.003","90","","90","","120","","7865.8","1.2","172","2","172","2","","","","","","","","3","P 32","P 32","145","","","","- C28 H44 O3 -","- C28 H44 O3 -","- C336 H528 O36 -","12","4","","Heinze, Robert C.; Heretsch, Philipp","Translation of a Polar Biogenesis Proposal into a Radical Synthetic Approach: Synthesis of Pleurocin A/Matsutakone and Pleurocin B.","Journal of the American Chemical Society","2019","141","3","1222","1226","10.1021/jacs.8b13356","","","0.71073","MoKα","","0.0524","0.0408","","","0.0862","0.0911","","","","","","1.001","","","","has coordinates","222054","2020-10-21","18:00:00",""
"4129052","6.3001","0.0002","15.0343","0.0004","31.3137","0.0009","90","","90","","90","","2965.96","0.15","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 O5 -","- C32 H46 O5 -","- C128 H184 O20 -","4","1","","Heinze, Robert C.; Heretsch, Philipp","Translation of a Polar Biogenesis Proposal into a Radical Synthetic Approach: Synthesis of Pleurocin A/Matsutakone and Pleurocin B.","Journal of the American Chemical Society","2019","141","3","1222","1226","10.1021/jacs.8b13356","","","1.54178","CuKα","","0.035","0.0327","","","0.0802","0.0818","","","","","","1.067","","","","has coordinates","222055","2020-10-21","18:00:00",""
"4129053","16.8035","0.0001","44.6481","0.0002","33.5757","0.0002","90","","94.1993","0.0005","90","","25122.4","0.2","123","2","123","2","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C92.5 H60 -","- C92.5 H60 -","- C1480 H960 -","16","4","","Oniki, Jumpei; Moriuchi, Toshiyuki; Kamochi, Kosuke; Tobisu, Mamoru; Amaya, Toru","Linear [3]Spirobifluorenylene: An S-Shaped Molecular Geometry of <i>p</i>-Oligophenyls.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09179","","x-ray","1.54184","CuKα","","0.0513","0.0499","","","0.138","0.1392","","","","","","1.055","","","","has coordinates,has disorder","222077","2020-10-21","18:00:00",""
"4129054","15.0733","0.0003","23.607","0.0005","11.7842","0.0002","90","","108.122","0.002","90","","3985.24","0.14","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H30 Cl6 -","- C52 H30 Cl6 -","- C208 H120 Cl24 -","4","1","","Oniki, Jumpei; Moriuchi, Toshiyuki; Kamochi, Kosuke; Tobisu, Mamoru; Amaya, Toru","Linear [3]Spirobifluorenylene: An S-Shaped Molecular Geometry of <i>p</i>-Oligophenyls.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09179","","","1.54184","CuKα","","0.0715","0.0654","","","0.1875","0.1934","","","","","","1.031","","","","has coordinates,has disorder","222078","2020-10-21","18:00:00",""
"4129055","9.9588","0.0001","18.0963","0.0003","23.5648","0.0004","88.1162","0.0014","78.2974","0.0012","80.0559","0.0011","4096.03","0.11","123","2","123","2","","","","","","","","2","P -1","-P 1","2","","","","- C117 H88 -","- C117 H88 -","- C234 H176 -","2","1","","Oniki, Jumpei; Moriuchi, Toshiyuki; Kamochi, Kosuke; Tobisu, Mamoru; Amaya, Toru","Linear [3]Spirobifluorenylene: An S-Shaped Molecular Geometry of <i>p</i>-Oligophenyls.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09179","","x-ray","1.54184","CuKα","","0.112","0.107","","","0.2314","0.235","","","","","","1.174","","","","has coordinates,has disorder","222079","2020-10-21","18:00:00",""
"4129056","5.5416","0.0003","18.2648","0.0008","7.2069","0.0004","90","","110.896","0.006","90","","681.48","0.07","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-fluoro-3-((1r,4r)-4-phenylcyclohexyl)benzene","","- C18 H19 F -","- C18 H19 F -","- C36 H38 F2 -","2","0.5","","Li, Jie; Ren, Qianyi; Cheng, Xinyi; Karaghiosoff, Konstantin; Knochel, Paul","Chromium(II)-Catalyzed Diastereoselective and Chemoselective Csp<sup>2</sup>-Csp<sup>3</sup> Cross-Couplings Using Organomagnesium Reagents.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08586","","","0.71073","MoKα","","0.0541","0.045","","","0.1115","0.1182","","","","","","1.051","","","","has coordinates,has disorder","222080","2020-10-21","18:00:00",""
"4129057","13.3866","0.0012","22.472","0.002","18.1039","0.0017","90","","99.497","0.002","90","","5371.4","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 Cl6 F6 K O8 P -","- C50 H44 F6 K O8 P -","- C200 H176 F24 K4 O32 P4 -","4","0.5","","David, Arthur H. G.; Casares, Raquel; Cuerva, Juan M.; Campaña, Araceli G; Blanco, Victor","A [2]Rotaxane-Based Circularly Polarized Luminescence Switch.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07143","","","0.71073","MoKα","","0.1546","0.1142","","","0.3619","0.4004","","","","","","1.343","","","","has coordinates,has disorder","222081","2020-10-21","18:00:00",""
"4129058","9.916","0.003","12.574","0.004","13.151","0.004","93.674","0.003","103.439","0.004","107.172","0.004","1508.1","0.8","150","","150","","","","","","","","","2","P -1","-P 1","2","","","","- C44 H28 -","- C44 H28 -","- C88 H56 -","2","1","","Ishigaki, Yusuke; Hayashi, Yuki; Suzuki, Takanori","Photo- and Thermal Interconversion of Multiconfigurational Strained Hydrocarbons Exhibiting Completely Switchable Oxidation to Stable Dicationic Dyes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09646","","","0.71075","MoKα","","","0.0554","","","","0.1317","","","","","","1.052","","","","has coordinates","222082","2020-10-21","18:00:00",""
"4129059","18.0595","0.0006","6.7674","0.0002","14.6897","0.0006","90","","104.488","0.004","90","","1738.22","0.11","293","","293","","","","","","","","","2","C 1 2 1","C 2y","5","","yi190108-hys-293K","","- C52 H32 -","- C52 H32 -","- C104 H64 -","2","0.5","","Ishigaki, Yusuke; Hayashi, Yuki; Suzuki, Takanori","Photo- and Thermal Interconversion of Multiconfigurational Strained Hydrocarbons Exhibiting Completely Switchable Oxidation to Stable Dicationic Dyes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09646","","x-ray","1.54184","CuKα","","0.1201","0.1191","","","0.2996","0.301","","","","","","1.511","","","","has coordinates","222083","2020-10-21","18:00:00",""
"4129060","10.138","0.01","11.36","0.011","26.59","0.03","90","","96.684","0.016","90","","3041","5","150","","150","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C44 H28 -","- C44 H28 -","- C176 H112 -","4","1","","Ishigaki, Yusuke; Hayashi, Yuki; Suzuki, Takanori","Photo- and Thermal Interconversion of Multiconfigurational Strained Hydrocarbons Exhibiting Completely Switchable Oxidation to Stable Dicationic Dyes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09646","","","0.71075","MoKα","","","0.0983","","","","0.2596","","","","","","0.866","","","","has coordinates","222084","2020-10-21","18:00:00",""
"4129061","9.5813","0.0005","9.7045","0.0004","14.8304","0.0007","71.271","0.004","76.563","0.004","84.617","0.004","1269.91","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 Cl12 N2 Sb2 -","- C48 H28 Cl12 N2 Sb2 -","- C48 H28 Cl12 N2 Sb2 -","1","0.5","","Ishigaki, Yusuke; Hayashi, Yuki; Suzuki, Takanori","Photo- and Thermal Interconversion of Multiconfigurational Strained Hydrocarbons Exhibiting Completely Switchable Oxidation to Stable Dicationic Dyes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09646","","","0.71073","MoKα","","","0.042","","","","0.1295","","","","","","1.128","","","","has coordinates","222085","2020-10-21","18:00:00",""
"4129062","8.73705","0.00006","16.80505","0.00011","25.89795","0.00019","90","","96.3243","0.0007","90","","3779.37","0.05","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","yi180806-hys","","- C53 H34 Cl2 -","- C53 H31 Cl2 -","- C212 H124 Cl8 -","4","1","","Ishigaki, Yusuke; Hayashi, Yuki; Suzuki, Takanori","Photo- and Thermal Interconversion of Multiconfigurational Strained Hydrocarbons Exhibiting Completely Switchable Oxidation to Stable Dicationic Dyes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09646","","x-ray","1.54184","CuKα","","0.0618","0.0595","","","0.1584","0.1604","","","","","","1.055","","","","has coordinates,has disorder","222086","2020-10-21","18:00:00",""
"4129063","10.326","0.002","14.178","0.003","11.546","0.002","90","","99.37","0.018","90","","1667.8","0.6","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H28 B2 F8 -","- C44 H28 B2 F8 -","- C88 H56 B4 F16 -","2","0.5","","Ishigaki, Yusuke; Hayashi, Yuki; Suzuki, Takanori","Photo- and Thermal Interconversion of Multiconfigurational Strained Hydrocarbons Exhibiting Completely Switchable Oxidation to Stable Dicationic Dyes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09646","","","0.71073","MoKα","","","0.0764","","","","0.2095","","","","","","1.062","","","","has coordinates","222087","2020-10-21","18:00:00",""
"4129064","7.01246","0.000016","7.01246","","11.67347","0.00006","90","","90","","120","","497.132","0.003","260","2","260","2","","","","","","","","4","P 63/m","-P 6c","176","Me-AZADO_radical","","","- C20 H32.01 N2 O2 -","- C20.004 H32.0064 N2.0004 O2.0004 -","- C20.004 H32.0064 N2.0004 O2.0004 -","1","0.0833333","","Dragulescu-Andrasi, Alina; Filatov, Alexander S.; Oakley, Richard T.; Li, Xiang; Lekin, Kristina; Huq, Ashfia; Pak, Chongin; Greer, Samuel M.; McKay, Johannes; Jo, Minyoung; Lengyel, Jeff; Hung, Ivan; Maradzike, Elvis; DePrince, A. Eugene; Stoian, Sebastian A.; Hill, Stephen; Hu, Yan-Yan; Shatruk, Michael","Radical Dimerization in Plastic Organic Crystal Leads to Structural and Magnetic Bistability with Wide Thermal Hysteresis.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09533","powder diffraction","x-ray","0.414561","synchrotron","","","","","","","","0.27526","","1.77","","","","","","","has coordinates","223255","2020-10-21","18:00:00",""
"4129065","12.98637","0.00007","11.75812","0.00008","11.72942","0.00008","90","","90","","90","","1791.03","0.02","260","2","260","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Me-AZADO_dimer","","","- C10 H16 N O -","- C10 H16 N O -","- C80 H128 N8 O8 -","8","1","","Dragulescu-Andrasi, Alina; Filatov, Alexander S.; Oakley, Richard T.; Li, Xiang; Lekin, Kristina; Huq, Ashfia; Pak, Chongin; Greer, Samuel M.; McKay, Johannes; Jo, Minyoung; Lengyel, Jeff; Hung, Ivan; Maradzike, Elvis; DePrince, A. Eugene; Stoian, Sebastian A.; Hill, Stephen; Hu, Yan-Yan; Shatruk, Michael","Radical Dimerization in Plastic Organic Crystal Leads to Structural and Magnetic Bistability with Wide Thermal Hysteresis.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09533","powder diffraction","x-ray","0.4146","synchrotron","","","","","","","","0.20328","","1.78","","","","","","","has coordinates","223256","2020-10-21","18:00:00",""
"4129066","13.166","0.003","21.376","0.004","17.171","0.003","90","","108.84","0.03","90","","4573.6","1.8","120","2","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 Al N4 O P -","- C56 H60 Al N4 O P -","- C224 H240 Al4 N16 O4 P4 -","4","1","","Ebner, Fabian; Wadepohl, Hubert; Greb, Lutz","Calix[4]pyrrole aluminate: a planar tetracoordinate aluminum(III) anion and its unusual Lewis acidity.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10628","","","0.71073","MoKα","","0.1763","0.0679","","","0.1392","0.174","","","","","","1.009","","","","has coordinates","223257","2020-10-21","18:00:00",""
"4129067","11.577","0.0003","15.551","0.0004","22.4542","0.0006","90","","100.411","0.003","90","","3975.97","0.18","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H64 Al Li N4 O4 -","- C44 H64 Al Li N4 O4 -","- C176 H256 Al4 Li4 N16 O16 -","4","1","","Ebner, Fabian; Wadepohl, Hubert; Greb, Lutz","Calix[4]pyrrole aluminate: a planar tetracoordinate aluminum(III) anion and its unusual Lewis acidity.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10628","","x-ray","0.71073","MoKα","K-L~2,3~","0.138","0.095","","","0.2694","0.3094","","","","","","1.025","","","","has coordinates,has disorder","223258","2020-10-21","18:00:00",""
"4129068","25.455","0.004","16.621","0.003","23.761","0.004","90","","107.829","0.011","90","","9570","3","120","2","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53.5 H55 Al Cl3 N4 P -","- C53.5 H55 Al Cl3 N4 P -","- C428 H440 Al8 Cl24 N32 P8 -","8","2","","Ebner, Fabian; Wadepohl, Hubert; Greb, Lutz","Calix[4]pyrrole aluminate: a planar tetracoordinate aluminum(III) anion and its unusual Lewis acidity.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10628","","x-ray","0.71073","MoKα","","0.0753","0.0601","","","0.1619","0.1724","","","","","","1.032","","","","has coordinates","223259","2020-10-21","18:00:00",""
"4129069","10.557","0.002","13.324","0.003","32.734","0.007","90","","90","","90","","4604.4","1.7","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H72 Al Li N4 O5 -","- C48 H72 Al Li N4 O5 -","- C192 H288 Al4 Li4 N16 O20 -","4","1","","Ebner, Fabian; Wadepohl, Hubert; Greb, Lutz","Calix[4]pyrrole aluminate: a planar tetracoordinate aluminum(III) anion and its unusual Lewis acidity.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10628","","x-ray","0.71073","MoKα","","0.1404","0.0666","","","0.1434","0.1769","","","","","","1.008","","","","has coordinates,has disorder","223260","2020-10-21","18:00:00",""
"4129070","15.5499","0.0002","18.1193","0.0003","22.071","0.0003","90","","96.3437","0.0012","90","","6180.5","0.16","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H79 Al F7 Li2 N4 O8 -","- C65 H78.944 Al F7 Li2 N4 O8 -","- C260 H315.776 Al4 F28 Li8 N16 O32 -","4","1","","Ebner, Fabian; Wadepohl, Hubert; Greb, Lutz","Calix[4]pyrrole aluminate: a planar tetracoordinate aluminum(III) anion and its unusual Lewis acidity.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10628","","x-ray","1.54184","CuKα","K-L~2,3~","0.0695","0.0544","","","0.144","0.1552","","","","","","1.022","","","","has coordinates,has disorder","223261","2020-10-21","18:00:00",""
"4129071","10.944","0.002","13.9","0.003","25.428","0.005","90","","93.94","0.03","90","","3859","1.3","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 Al Li N4 O3 -","- C40 H60 Al Li N4 O3 -","- C160 H240 Al4 Li4 N16 O12 -","4","1","","Ebner, Fabian; Wadepohl, Hubert; Greb, Lutz","Calix[4]pyrrole aluminate: a planar tetracoordinate aluminum(III) anion and its unusual Lewis acidity.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10628","","x-ray","0.71073","MoKα","","0.1252","0.0653","","","0.1735","0.2066","","","","","","1.035","","","","has coordinates,has disorder","223262","2020-10-21","18:00:00",""
"4129072","12.157","0.002","23.544","0.005","39.927","0.008","90","","98.21","0.03","90","","11311","4","120","2","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H89 Al Li2 N4 O11 -","- C50 H88.6445 Al Li2 N4 O11 -","- C400 H709.156 Al8 Li16 N32 O88 -","8","2","","Ebner, Fabian; Wadepohl, Hubert; Greb, Lutz","Calix[4]pyrrole aluminate: a planar tetracoordinate aluminum(III) anion and its unusual Lewis acidity.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10628","","x-ray","0.71073","MoKα","","0.2215","0.0875","","","0.2015","0.257","","","","","","1.016","","","","has coordinates,has disorder","223263","2020-10-21","18:00:00",""
"4129073","29.44","0.004","29.44","0.004","41.56","0.004","90","","90","","90","","36021","8","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C63 H36 N6 O33 Rh6 -","- C63 H36 N6 O33 Rh6 -","- C504 H288 N48 O264 Rh48 -","8","0.5","","Grancha, Thais; Carne-Sanchez, Arnau; Hernández-López, Laura; Albalad, Jorge; Imaz, Inhar; Juanhuix, Judith; Maspoch, Daniel","Phase Transfer of Rhodium(II)-Based Metal-Organic Polyhedra Bearing Coordinatively-Bound Cargo Enables Molecular Separation.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10403","","","0.72656","synchrotron","","0.0998","0.0945","","","0.3583","0.3806","","","","","","1.973","","","","has coordinates","223369","2020-10-21","18:00:00",""
"4129074","11.3601","0.0007","5.8169","0.0003","13.5193","0.0009","90","","107.48","0.003","90","","852.11","0.09","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Title","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Tanwar, Lalita; Börgel, Jonas; Ritter, Tobias","Synthesis of Benzylic Alcohols by C-H Oxidation.","Journal of the American Chemical Society","2019","141","45","17983","17988","10.1021/jacs.9b09496","","","","","","","","","","","","","","","","","","","","","has coordinates","246566","2020-10-21","18:00:00",""
"4129075","11.8237","0.0003","11.8237","0.0003","19.047","0.0005","90","","90","","120","","2306.03","0.1","","","","","","","","","","","","4","P 32 2 1","P 32 2""","154","","Title","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C108 H90 N6 O30 -","6","1","","Tanwar, Lalita; Börgel, Jonas; Ritter, Tobias","Synthesis of Benzylic Alcohols by C-H Oxidation.","Journal of the American Chemical Society","2019","141","45","17983","17988","10.1021/jacs.9b09496","","","","","","","","","","","","","","","","","","","","","has coordinates","246566","2020-10-21","18:00:00",""
"4129076","5.5273","0.0018","5.5273","0.0018","35.91","0.04","90","","90","","90","","1097.1","1.3","473","2","473","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C14 H20 Cl4 F2 N2 Pb -","- C14 H20 Cl4 F2 N2 Pb -","- C28 H40 Cl8 F4 N4 Pb2 -","2","0.0625","","Shi, Ping-Ping; Lu, Si-Qi; Song, Xian-Jiang; Chen, Xiao-Gang; Liao, Wei-Qiang; Li, Peng-Fei; Tang, Yuan-Yuan; Xiong, Ren-Gen","Two-dimensional Organic-Inorganic Perovskite Ferroelectric Semiconductor with the Fluorinated Aromatic Spacers.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10048","","","0.71073","MoKα","","0.2127","0.1634","","","0.3559","0.3881","","","","","","1.157","","","","has coordinates","223372","2020-10-21","18:00:00",""
"4129077","7.7195","0.0004","34.73","0.003","7.813","0.0006","90","","90","","90","","2094.7","0.3","300","2","300","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H18 Cl4 F2 N2 Pb -","- C14 H18 Cl4 F2 N2 Pb -","- C56 H72 Cl16 F8 N8 Pb4 -","4","0.5","","Shi, Ping-Ping; Lu, Si-Qi; Song, Xian-Jiang; Chen, Xiao-Gang; Liao, Wei-Qiang; Li, Peng-Fei; Tang, Yuan-Yuan; Xiong, Ren-Gen","Two-dimensional Organic-Inorganic Perovskite Ferroelectric Semiconductor with the Fluorinated Aromatic Spacers.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10048","","","0.71073","MoKα","","0.1291","0.1031","","","0.2622","0.2844","","","","","","1.123","","","","has coordinates","223373","2020-10-21","18:00:00",""
"4129078","33.6194","0.0008","7.8738","0.0002","7.6832","0.0002","90","","90","","90","","2033.84","0.09","300","2","300","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C14 H18 Cl4 F2 N2 Pb -","- C14 H18 Cl4 F2 N2 Pb -","- C56 H72 Cl16 F8 N8 Pb4 -","4","0.5","","Shi, Ping-Ping; Lu, Si-Qi; Song, Xian-Jiang; Chen, Xiao-Gang; Liao, Wei-Qiang; Li, Peng-Fei; Tang, Yuan-Yuan; Xiong, Ren-Gen","Two-dimensional Organic-Inorganic Perovskite Ferroelectric Semiconductor with the Fluorinated Aromatic Spacers.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10048","","","0.71073","MoKα","","0.0182","0.0168","","","0.037","0.0373","","","","","","1.071","","","","has coordinates","223374","2020-10-21","18:00:00",""
"4129079","5.5213","0.0002","5.5213","0.0002","34.208","0.005","90","","90","","90","","1042.82","0.16","493","2","493","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C14 H20 Cl4 N2 Pb -","- C14 H20 Cl4 N2 Pb -","- C28 H40 Cl8 N4 Pb2 -","2","0.0625","","Shi, Ping-Ping; Lu, Si-Qi; Song, Xian-Jiang; Chen, Xiao-Gang; Liao, Wei-Qiang; Li, Peng-Fei; Tang, Yuan-Yuan; Xiong, Ren-Gen","Two-dimensional Organic-Inorganic Perovskite Ferroelectric Semiconductor with the Fluorinated Aromatic Spacers.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10048","","","0.71073","MoKα","","0.0542","0.0417","","","0.0913","0.0972","","","","","","1.124","","","","has coordinates","223375","2020-10-21","18:00:00",""
"4129080","5.5315","0.0002","5.5315","0.0002","35.712","0.007","90","","90","","90","","1092.7","0.2","493","2","493","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C14 H18 Cl4 F2 N2 Pb -","- C14 H18 Cl4 F2 N2 Pb -","- C28 H36 Cl8 F4 N4 Pb2 -","2","0.0625","","Shi, Ping-Ping; Lu, Si-Qi; Song, Xian-Jiang; Chen, Xiao-Gang; Liao, Wei-Qiang; Li, Peng-Fei; Tang, Yuan-Yuan; Xiong, Ren-Gen","Two-dimensional Organic-Inorganic Perovskite Ferroelectric Semiconductor with the Fluorinated Aromatic Spacers.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10048","","","0.71073","MoKα","","0.0688","0.0593","","","0.1438","0.1486","","","","","","1.237","","","","has coordinates","223376","2020-10-21","18:00:00",""
"4129081","17.3916","0.0013","7.5212","0.0005","7.7601","0.0005","90","","93.879","0.006","90","","1012.74","0.12","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl4 F2 N2 Pb -","- C14 H18 Cl4 F2 N2 Pb -","- C28 H36 Cl8 F4 N4 Pb2 -","2","0.5","","Shi, Ping-Ping; Lu, Si-Qi; Song, Xian-Jiang; Chen, Xiao-Gang; Liao, Wei-Qiang; Li, Peng-Fei; Tang, Yuan-Yuan; Xiong, Ren-Gen","Two-dimensional Organic-Inorganic Perovskite Ferroelectric Semiconductor with the Fluorinated Aromatic Spacers.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10048","","","0.71073","MoKα","","0.0427","0.0298","","","0.0775","0.0848","","","","","","1.13","","","","has coordinates","223377","2020-10-21","18:00:00",""
"4129082","5.5408","0.0001","5.5408","0.0001","34.042","0.003","90","","90","","90","","1045.11","0.1","463","2","463","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C14 H18 Cl4 F2 N2 Pb -","- C14 H18 Cl4 F2 N2 Pb -","- C28 H36 Cl8 F4 N4 Pb2 -","2","0.0625","","Shi, Ping-Ping; Lu, Si-Qi; Song, Xian-Jiang; Chen, Xiao-Gang; Liao, Wei-Qiang; Li, Peng-Fei; Tang, Yuan-Yuan; Xiong, Ren-Gen","Two-dimensional Organic-Inorganic Perovskite Ferroelectric Semiconductor with the Fluorinated Aromatic Spacers.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10048","","","0.71073","MoKα","","0.0719","0.0646","","","0.1908","0.1976","","","","","","1.124","","","","has coordinates","223378","2020-10-21","18:00:00",""
"4129083","5.3944","0.00006","18.0328","0.0002","29.9372","0.0004","90","","90","","90","","2912.18","0.06","298.43","0.11","298.43","0.11","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O5 -","- C17 H14 O5 -","- C136 H112 O40 -","8","2","","Pyser, Joshua B.; Baker Dockrey, Summer A.; Benítez, Attabey Rodríguez; Joyce, Leo A.; Wiscons, Ren A.; Smith, Janet L.; Narayan, Alison R. H.","Stereodivergent, Chemoenzymatic Synthesis of Azaphilone Natural Products.","Journal of the American Chemical Society","2019","141","46","18551","18559","10.1021/jacs.9b09385","","x-ray","1.54184","CuKα","","0.0332","0.03","","","0.0784","0.0846","","","","","","1.052","","","","has coordinates","246557","2020-10-21","18:00:00",""
"4129084","14.9071","0.0005","15.8745","0.0005","18.8299","0.0006","94.574","0.003","103.809","0.003","110.373","0.003","3991.1","0.3","150","0.14","150","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C68 H67 N5 Ni O2 -","- C68 H67 N5 Ni O2 -","- C136 H134 N10 Ni2 O4 -","2","1","","Xu, Youzhi; Gsänger, Sebastian; Minameyer, Martin B.; Imaz, Inhar; Maspoch, Daniel; Shyshov, Oleksandr; Schwer, Fabian; Ribas, Xavi; Drewello, Thomas; Meyer, Bernd; von Delius, Max","Highly Strained, Radially π-Conjugated Porphyrinylene Nanohoops.","Journal of the American Chemical Society","2019","141","46","18500","18507","10.1021/jacs.9b08584","","x-ray","1.54184","CuKα","","0.0999","0.0764","","","0.2374","0.2569","","","","","","1.08","","","","has coordinates,has disorder","246555","2020-10-21","18:00:00",""
"4129085","15.45","0.005","17.79","0.005","18.18","0.005","115.78","0.08","93.59","0.08","114.36","0.08","3917","6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C132 H124 N8 Ni2 -","- C132 H124 N8 Ni2 -","- C132 H124 N8 Ni2 -","1","0.5","","Xu, Youzhi; Gsänger, Sebastian; Minameyer, Martin B.; Imaz, Inhar; Maspoch, Daniel; Shyshov, Oleksandr; Schwer, Fabian; Ribas, Xavi; Drewello, Thomas; Meyer, Bernd; von Delius, Max","Highly Strained, Radially π-Conjugated Porphyrinylene Nanohoops.","Journal of the American Chemical Society","2019","141","46","18500","18507","10.1021/jacs.9b08584","","","0.70173","synchrotron","","0.2121","0.1289","","","0.3729","0.4427","","","","","","1.243","","","","has coordinates","246555","2020-10-21","18:00:00",""
"4129086","15.83","0.005","34.13","0.005","30.67","0.005","90","","90.14","0.08","90","","16570","6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C192 H124 N8 Ni2 -","- C192 H124 N8 Ni2 -","- C768 H496 N32 Ni8 -","4","1","","Xu, Youzhi; Gsänger, Sebastian; Minameyer, Martin B.; Imaz, Inhar; Maspoch, Daniel; Shyshov, Oleksandr; Schwer, Fabian; Ribas, Xavi; Drewello, Thomas; Meyer, Bernd; von Delius, Max","Highly Strained, Radially π-Conjugated Porphyrinylene Nanohoops.","Journal of the American Chemical Society","2019","141","46","18500","18507","10.1021/jacs.9b08584","","","0.72656","synchrotron","","0.1915","0.1632","","","0.4829","0.5189","","","","","","2.346","","","","has coordinates","246555","2020-10-21","18:00:00",""
"4129087","10.8939","0.0003","10.9617","0.0002","16.6476","0.0004","85.1872","0.0018","75.261","0.002","78.5459","0.0019","1883.11","0.08","101","1","101","1","","","","","","","","3","P -1","-P 1","2","","","","- C41 H62 Si2 -","- C41 H62 Si2 -","- C82 H124 Si4 -","2","1","","Yang, Sanghee; Kang, Sung-Yun; Choi, Tae-Lim","Morphologically Tunable Square and Rectangular Nanosheets of a Simple Conjugated Homopolymer by Changing Solvents","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10904","","x-ray","1.54184","CuKα","","0.0363","0.0347","","","0.0858","0.0867","","","","","","1.052","","","","has coordinates","227676","2020-10-21","18:00:00",""
"4129088","6.3111","0.0004","9.3707","0.0005","30.764","0.003","90","","90","","90","","1819.4","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(Methylamino)-2-(4-nitrophenyl)-3-phenyl-1-(pyrrolidin-1-yl)propan-1-one","","- C20 H23 N3 O3 -","- C20 H23 N3 O3 -","- C80 H92 N12 O12 -","4","1","","Gonçalves, Carlos R; Lemmerer, Miran; Teskey, Christopher J.; Adler, Pauline; Kaiser, Daniel; Maryasin, Boris; González, Leticia; Maulide, Nuno","Unified Approach to the Chemoselective α-Functionalization of Amides with Heteroatom Nucleophiles.","Journal of the American Chemical Society","2019","141","46","18437","18443","10.1021/jacs.9b06956","","","0.71073","MoKα","","0.057","0.0457","","","0.1019","0.1096","","","","","","1.06","","","","has coordinates","246554","2020-10-21","18:00:00",""
"4129089","10.7706","0.0006","12.8085","0.0007","15.9271","0.0009","96.76","0.002","104.61","0.002","94.684","0.002","2097.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H56 Cl2 N2 O10 Ru -","- C42 H56 Cl2 N2 O10 Ru -","- C84 H112 Cl4 N4 O20 Ru2 -","2","1","","Zhu, Jun; Chen, Peng-Hao; Lu, Gang; Liu, Peng; Dong, Guangbin","Ruthenium-Catalyzed Reductive Cleavage of Unstrained Aryl-Aryl Bonds: Reaction Development and Mechanistic Study.","Journal of the American Chemical Society","2019","141","46","18630","18640","10.1021/jacs.9b11605","","","0.71073","MoKα","","0.0479","0.0319","","","0.0605","0.0647","","","","","","1.04","","","","has coordinates","246556","2020-10-21","18:00:00",""
"4129090","9.2034","0.0002","21.8162","0.0004","9.4423","0.0002","90","","116.195","0.003","90","","1701.15","0.07","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N3 O2 -","- C18 H23 N3 O2 -","- C72 H92 N12 O8 -","4","2","","Hsieh, Sheng-Ying; Tang, Y. U.; Crotti, Simone; Stone, Elizabeth; Miller, Scott J.","Catalytic Enantioselective Pyridine N-Oxidation.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10414","","","1.54184","CuKα","","0.0406","0.0403","","","0.1034","0.1037","","","","","","1.058","","","","has coordinates","227679","2020-10-21","18:00:00",""
"4129091","8.4638","0.0004","11.0323","0.0005","11.3821","0.0006","93.398","0.004","91.354","0.004","90.017","0.004","1060.64","0.09","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H21 F3 N4 O3 -","- C23 H21 F3 N4 O3 -","- C46 H42 F6 N8 O6 -","2","2","","Hsieh, Sheng-Ying; Tang, Y. U.; Crotti, Simone; Stone, Elizabeth; Miller, Scott J.","Catalytic Enantioselective Pyridine N-Oxidation.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10414","","","1.54184","CuKα","","0.0363","0.0334","","","0.0815","0.0834","","","","","","1.038","","","","has coordinates,has disorder","227680","2020-10-21","18:00:00",""
"4129092","13.6637","0.0002","13.6637","0.0002","22.893","0.0004","90","","90","","120","","3701.43","0.1","93","2","93","2","","","","","","","","6","P 61","P 61","169","","","","- C27 H25 Cl F3 N3 O3 -","- C27 H25 Cl F3 N3 O3 -","- C162 H150 Cl6 F18 N18 O18 -","6","1","","Hsieh, Sheng-Ying; Tang, Y. U.; Crotti, Simone; Stone, Elizabeth; Miller, Scott J.","Catalytic Enantioselective Pyridine N-Oxidation.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10414","","","1.54184","CuKα","","0.0494","0.0463","","","0.1143","0.1177","","","","","","1.056","","","","has coordinates,has disorder","227681","2020-10-21","18:00:00",""
"4129093","21.711","0.001","11.6334","0.0006","20.2589","0.001","90","","104.999","0.002","90","","4942.5","0.4","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H34 Ag2 F6 O12 P2 S2 -","- C52 H34 Ag2 F6 O12 P2 S2 -","- C208 H136 Ag8 F24 O48 P8 S8 -","4","1","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.0852","0.0709","","","0.1913","0.2074","","","","","","1.086","","","","has coordinates,has disorder","227714","2020-10-21","18:00:00",""
"4129094","8.6233","0.0003","9.8147","0.0003","13.9858","0.0005","73.587","0.002","75.133","0.002","86.914","0.002","1097.22","0.07","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H15 Ag Cl N2 O7 P -","- C22 H15 Ag Cl N2 O7 P -","- C44 H30 Ag2 Cl2 N4 O14 P2 -","2","1","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.0742","0.0725","","","0.224","0.2264","","","","","","1.114","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4129095","13.9038","0.0007","13.9038","0.0007","17.3483","0.0009","90","","90","","90","","3353.7","0.3","150","","150","","","","","","","","","6","P 42/m","-P 4c","84","","","","- C79 H44 Cu2 I2 O12 P4 -","- C79 H44 Cu2 I2 O12 P4 -","- C158 H88 Cu4 I4 O24 P8 -","2","0.25","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.0486","0.0458","","","0.134","0.1377","","","","","","1.102","","","","has coordinates,has disorder","227716","2020-10-21","18:00:00",""
"4129096","10.8679","0.0004","13.9505","0.0005","17.0453","0.0006","105.882","0.002","105.468","0.002","105.195","0.002","2233.61","0.15","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H27 Cl2 Cu2 O9 P3 -","- C54 H27 Cl2 Cu2 O9 P3 -","- C108 H54 Cl4 Cu4 O18 P6 -","2","1","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.0622","0.0465","","","0.0847","0.0914","","","","","","1.09","","","","has coordinates,has disorder","227717","2020-10-21","18:00:00",""
"4129097","12.0917","0.0002","14.0561","0.0003","34.6177","0.0007","90","","98.119","0.001","90","","5824.7","0.2","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H36 B Cu F4 O12 P4 -","- C72 H36 B Cu F4 O12 P4 -","- C288 H144 B4 Cu4 F16 O48 P16 -","4","1","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.0772","0.0735","","","0.1984","0.202","","","","","","1.029","","","","has coordinates,has disorder","227718","2020-10-21","18:00:00",""
"4129098","13.6619","0.0005","37.946","0.0014","13.6696","0.0006","90","","90","","90","","7086.5","0.5","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C75 H48 Cu F6 O15 P5 -","- C75 H48 Cu F6 O15 P5 -","- C300 H192 Cu4 F24 O60 P20 -","4","1","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.0835","0.0708","","","0.1874","0.197","","","","","","1.048","","","","has coordinates,has disorder","227719","2020-10-21","18:00:00",""
"4129099","10.1347","0.0009","17.403","0.0014","20.81","0.002","86.369","0.004","80.154","0.005","89.061","0.004","3609","0.6","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C229 H76 Ag2 F6 O18 P4 S2 -","- C229 H76 Ag2 F6 O18 P4 S2 -","- C229 H76 Ag2 F6 O18 P4 S2 -","1","0.5","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.1208","0.1053","","","0.2958","0.3192","","","","","","1.152","","","","has coordinates,has disorder","227720","2020-10-21","18:00:00",""
"4129100","12.1132","0.0003","13.9653","0.0003","18.1189","0.0004","90","","107.042","0.001","90","","2930.49","0.12","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H36 Cl2 Cu2 O12 P4 -","- C72 H36 Cl2 Cu2 O12 P4 -","- C144 H72 Cl4 Cu4 O24 P8 -","2","0.5","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.0293","0.0285","","","0.0776","0.0782","","","","","","1.056","","","","has coordinates","227722","2020-10-21","18:00:00",""
"4129101","12.2303","0.0003","14.1157","0.0003","34.823","0.0008","90","","98.635","0.001","90","","5943.7","0.2","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H36 Ag B F4 O12 P4 -","- C72 H36 Ag B F4 O12 P4 -","- C288 H144 Ag4 B4 F16 O48 P16 -","4","1","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.0366","0.0357","","","0.0918","0.0924","","","","","","1.103","","","","has coordinates,has disorder","227723","2020-10-21","18:00:00",""
"4129102","11.8082","0.0007","16.1007","0.0009","12.8381","0.0007","90","","108.495","0.002","90","","2314.7","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Ag Cl O7 P -","- C25 H17 Ag Cl O7 P -","- C100 H68 Ag4 Cl4 O28 P4 -","4","1","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.0623","0.0601","","","0.1632","0.1663","","","","","","1.079","","","","has coordinates,has disorder","227724","2020-10-21","18:00:00",""
"4129103","6.9434","0.0006","12.0474","0.001","12.4915","0.001","81.86","0.004","77.662","0.004","77.572","0.004","991.84","0.14","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H22 Ag2 F6 O14 P2 S2 -","- C38 H22 Ag2 F6 O14 P2 S2 -","- C38 H22 Ag2 F6 O14 P2 S2 -","1","0.5","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.0638","0.0593","","","0.1735","0.1793","","","","","","1.115","","","","has coordinates","227725","2020-10-21","18:00:00",""
"4129104","15.9672","0.0004","17.4963","0.0005","19.2176","0.0007","113.521","0.003","91.756","0.002","98.502","0.002","4844.7","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C104 H94 Cl12 N10 O4 -","- C104 H94 Cl12 N10 O4 -","- C208 H188 Cl24 N20 O8 -","2","1","","Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin","Singly and Doubly Neo-Confused Smaragdyrins.","Journal of the American Chemical Society","2019","141","47","18836","18844","10.1021/jacs.9b10270","","x-ray","1.54184","CuKα","","0.082","0.0645","","","0.1724","0.1874","","","","","","1.016","","","","has coordinates,has disorder","246559","2020-10-21","18:00:00",""
"4129105","8.6711","0.0002","15.7062","0.0004","16.1757","0.0004","92.5156","0.0018","95.7126","0.0019","98.8312","0.0019","2162.12","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H49 Cl2 N5 O -","- C52 H49 Cl2 N5 O -","- C104 H98 Cl4 N10 O2 -","2","1","","Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin","Singly and Doubly Neo-Confused Smaragdyrins.","Journal of the American Chemical Society","2019","141","47","18836","18844","10.1021/jacs.9b10270","","x-ray","1.54184","CuKα","","0.0748","0.0687","","","0.1841","0.1886","","","","","","1.04","","","","has coordinates","246559","2020-10-21","18:00:00",""
"4129106","9.2009","0.0004","23.2963","0.0016","21.177","0.0013","90","","97.172","0.005","90","","4503.7","0.5","99.96","0.11","99.96","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H47 B Cl3 F2 N5 -","- C51 H47 B Cl3 F2 N5 -","- C204 H188 B4 Cl12 F8 N20 -","4","1","","Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin","Singly and Doubly Neo-Confused Smaragdyrins.","Journal of the American Chemical Society","2019","141","47","18836","18844","10.1021/jacs.9b10270","","x-ray","1.54184","CuKα","","0.1278","0.0877","","","0.2326","0.2703","","","","","","1.033","","","","has coordinates,has disorder","246559","2020-10-21","18:00:00",""
"4129107","12.2842","0.0003","14.9772","0.0003","16.2006","0.0003","84.5774","0.0017","77.5388","0.0017","67.318","0.002","2685.11","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H47 Cl10 Cu N5 O2 -","- C53 H47 Cl10 Cu N5 O2 -","- C106 H94 Cl20 Cu2 N10 O4 -","2","1","","Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin","Singly and Doubly Neo-Confused Smaragdyrins.","Journal of the American Chemical Society","2019","141","47","18836","18844","10.1021/jacs.9b10270","","x-ray","1.54184","CuKα","","0.0524","0.0486","","","0.1322","0.1354","","","","","","1.058","","","","has coordinates","246559","2020-10-21","18:00:00",""
"4129108","20.739","0.0012","12.7534","0.0008","32.675","0.004","90","","96.259","0.008","90","","8590.8","1.3","100","0.1","100","0.1","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","","","- C50 H47 N5 -","- C50 H47 N5 -","- C400 H376 N40 -","8","1","","Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin","Singly and Doubly Neo-Confused Smaragdyrins.","Journal of the American Chemical Society","2019","141","47","18836","18844","10.1021/jacs.9b10270","","x-ray","1.54184","CuKα","","0.0907","0.0631","","","0.1613","0.1772","","","","","","1.009","","","","has coordinates","246559","2020-10-21","18:00:00",""
"4129109","11.90631","0.00013","16.82151","0.00016","21.0724","0.0002","90","","90","","90","","4220.42","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H46 B F2 N5 -","- C50 H46 B F2 N5 -","- C200 H184 B4 F8 N20 -","4","1","","Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin","Singly and Doubly Neo-Confused Smaragdyrins.","Journal of the American Chemical Society","2019","141","47","18836","18844","10.1021/jacs.9b10270","","x-ray","1.54184","CuKα","","0.0408","0.039","","","0.1039","0.1054","","","","","","1.062","","","","has coordinates","246559","2020-10-21","18:00:00",""
"4129110","19.0466","0.0006","19.0466","0.0006","36.389","0.0012","90","","90","","90","","13200.9","0.7","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C31.59 H19.8 Al2 N1.2 O9.05 -","- C31.5928 H19.7964 Al2 N1.1976 O9.0524 -","- C252.742 H158.371 Al16 N9.5808 O72.4192 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","1.54178","CuKα","","0.1465","0.125","","","0.323","0.3391","","","","","","1.423","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129111","18.7104","0.0005","18.7104","0.0005","37.1528","0.0011","90","","90","","90","","13006.4","0.6","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C29 H19.5 Al2 O11.08 P0.5 -","- C29 H19.518 Al2 O11.071 P0.506 -","- C232 H156.144 Al16 O88.568 P4.048 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0523","0.0354","","","0.0802","0.0844","","","","","","0.905","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129112","18.1729","0.0008","18.1729","0.0008","37.6737","0.0017","90","","90","","90","","12441.9","1","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C27 H17 Al2 O12.08 S0.86 -","- C27 H17 Al2 O12.0806 S0.8602 -","- C216 H136 Al16 O96.6448 S6.8816 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","1.0332","synchrotron","","0.035","0.0254","","","0.0542","0.057","","","","","","0.946","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129113","18.5778","0.0006","18.5778","0.0006","37.2977","0.0013","90","","90","","90","","12872.7","0.7","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C30.05 H17 Al2 N0.56 O10.56 -","- C29.7427 H22.0663 Al2 N0.5809 O10.5809 -","- C237.942 H176.53 Al16 N4.6472 O84.6472 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0814","0.0682","","","0.2051","0.2206","","","","","","1.041","","","","has coordinates","246562","2020-10-21","18:00:00",""
"4129114","18.4641","0.0006","18.4641","0.0006","37.4193","0.0012","90","","90","","90","","12757.1","0.7","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C29.8 H17.44 Al2 O10.15 S0.36 -","- C29.797 H19.4376 Al2 O10.1739 S0.3594 -","- C238.376 H155.501 Al16 O81.3912 S2.8752 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0526","0.0491","","","0.1422","0.1466","","","","","","1.06","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129115","19.2915","0.0005","19.2915","0.0005","36.081","0.0011","90","","90","","90","","13428","0.6","100","","100","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C33.75 H23.81 Al2 B0.51 N1.02 O10.21 -","- C33.7464 H23.8134 Al2 B0.5075 N1.015 O10.2147 -","- C269.971 H190.507 Al16 B4.06 N8.12 O81.7172 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","0.7288","synchrotron","","0.0572","0.0544","","","0.1434","0.1479","","","","","","1.07","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129116","19.5339","0.0005","19.5339","0.0005","35.7057","0.001","90","","90","","90","","13624.3","0.6","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C28.98 H18.86 Al2 N2.59 O8.37 -","- C28.9746 H18.8624 Al2 N2.5872 O8.36855 -","- C231.797 H150.899 Al16 N20.6976 O66.9484 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0473","0.0459","","","0.1271","0.1288","","","","","","1.097","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129117","18.1702","0.0006","18.1702","0.0006","37.843","0.0014","90","","90","","90","","12494.1","0.7","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C27.45 H18.55 Al2 O11.03 P0.55 -","- C27.4502 H18.5496 Al2 O11.033 P0.5497 -","- C219.602 H148.397 Al16 O88.264 P4.3976 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0367","0.033","","","0.0871","0.089","","","","","","0.991","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129118","19.4481","0.0006","19.4481","0.0006","35.7074","0.0013","90","","90","","90","","13505.6","0.8","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C29.81 H19.81 Al2 N1.87 O8 -","- C29.808 H19.808 Al2 N1.872 O8 -","- C238.464 H158.464 Al16 N14.976 O64 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","1.54178","CuKα","","0.0716","0.0494","","","0.1214","0.131","","","","","","0.991","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129119","18.8135","0.0011","18.8135","0.0011","36.797","0.002","90","","90","","90","","13024.2","1.3","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C29.02 H19.04 Al2 N2.07 O9.21 -","- C29.018 H19.036 Al2 N2.072 O9.214 -","- C232.144 H152.288 Al16 N16.576 O73.712 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0422","0.0358","","","0.087","0.09","","","","","","0.992","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129120","18.6051","0.0008","18.6051","0.0008","37.384","0.0018","90","","90","","90","","12940.5","1","100","","100","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C30.06 H24.02 Al2 N0.69 O11.09 P0.41 -","- C29.941 H24.071 Al2 N0.647 O11.161 P0.514 -","- C239.528 H192.568 Al16 N5.176 O89.288 P4.112 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0369","0.0282","","","0.061","0.0631","","","","","","0.91","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129121","18.6986","0.0011","18.6986","0.0011","37.201","0.003","90","","90","","90","","13006.9","1.5","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C30.61 H21.53 Al2 O10.25 S0.52 -","- C30.6096 H21.5292 Al2 O10.25 S0.5219 -","- C244.877 H172.234 Al16 O82 S4.1752 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0646","0.0541","","","0.1465","0.156","","","","","","1.036","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129122","19.4353","0.0006","19.4353","0.0006","35.7957","0.0011","90","","90","","90","","13521.1","0.7","100","","100","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C31 H21 Al2 Br N2 O8 -","- C31 H21 Al2 Br N2 O8 -","- C248 H168 Al16 Br8 N16 O64 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0777","0.0654","","","0.185","0.197","","","","","","1.009","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129123","18.6944","0.0006","18.6944","0.0006","37.0688","0.0012","90","","90","","90","","12954.8","0.7","100","2","100","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C34.5 H21.61 Al2 N2.17 O9.87 -","- C34.5016 H21.612 Al2 N2.1672 O9.8676 -","- C276.013 H172.896 Al16 N17.3376 O78.9408 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.1204","0.0997","","","0.2603","0.2815","","","","","","1.136","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129124","19.3331","0.0006","19.3331","0.0006","36.2317","0.0012","90","","90","","90","","13542.3","0.7","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C30.29 H19.53 Al2 N0.76 O9.35 -","- C30.2926 H19.5284 Al2 N0.7642 O9.34925 -","- C242.341 H156.227 Al16 N6.1136 O74.794 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0682","0.0556","","","0.1596","0.1704","","","","","","1.053","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129125","18.9","0.001","18.9","0.001","36.682","0.002","90","","90","","90","","13103.2","1.2","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C28.72 H18.69 Al2 N2.15 O8.57 -","- C28.718 H18.68 Al2 N2.154 O8.564 -","- C229.744 H149.44 Al16 N17.232 O68.512 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","0.7288","synchrotron","","0.0344","0.0274","","","0.0711","0.0741","","","","","","0.984","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129126","19.4248","0.0007","19.4248","0.0007","35.7345","0.0013","90","","90","","90","","13483.4","0.8","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C37 H27 Al2 N1.8 O10.85 -","- C37 H27 Al2 N1.8 O10.85 -","- C296 H216 Al16 N14.4 O86.8 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0827","0.0795","","","0.219","0.2223","","","","","","1.105","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129127","18.9155","0.0009","18.9155","0.0009","36.6951","0.0019","90","","90","","90","","13129.4","1.1","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C28.66 H18.66 Al2 N1.97 O8.69 -","- C28.657 H18.657 Al2 N1.971 O8.686 -","- C229.256 H149.256 Al16 N15.768 O69.488 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","0.7288","synchrotron","","0.0321","0.0245","","","0.0519","0.0538","","","","","","0.95","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129128","19.375","0.0009","19.375","0.0009","35.8159","0.0016","90","","90","","90","","13445","1.1","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C36.71 H26.71 Al2 N1.74 O10.8 -","- C36.712 H26.712 Al2 N1.7422 O10.7958 -","- C293.696 H213.696 Al16 N13.9376 O86.3664 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0893","0.0873","","","0.2379","0.2398","","","","","","1.099","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129129","19.1935","0.0011","19.1935","0.0011","36.602","0.002","90","","90","","90","","13483.8","1.3","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C28.3 H19.22 Al2 O10.76 P0.35 -","- C28.299 H19.22 Al2 O10.7605 P0.349 -","- C226.392 H153.76 Al16 O86.084 P2.792 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0731","0.0668","","","0.2","0.2053","","","","","","1.076","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129130","18.9892","0.0008","18.9892","0.0008","36.9796","0.0015","90","","90","","90","","13334.5","1","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C28.73 H21.63 Al2 O10.09 P0.73 -","- C28.7264 H21.632 Al2 O10.0858 P0.7264 -","- C229.811 H173.056 Al16 O80.6862 P5.8112 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","0.7288","synchrotron","","0.0513","0.0476","","","0.1358","0.1396","","","","","","1.065","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129131","19.079","0.003","19.079","0.003","36.683","0.005","90","","90","","90","","13353","3","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C34.45 H22.72 Al2 N1.83 O10.47 -","- C34.4508 H22.716 Al2 N1.834 O10.4699 -","- C275.606 H181.728 Al16 N14.672 O83.7596 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0587","0.0532","","","0.145","0.1504","","","","","","1.077","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129132","14.228","0.003","13.62","0.003","18.353","0.004","90","","100.239","0.004","90","","3499.9","1.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 B F6 Mo N10 O5 S -","- C27 H33 B F6 Mo N10 O5 S -","- C108 H132 B4 F24 Mo4 N40 O20 S4 -","4","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0573","0.0348","","","0.0731","0.0816","","","","","","1.016","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129133","15.5566","0.0011","25.0893","0.0016","19.727","0.002","90","","102.353","0.002","90","","7521.3","1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 B Cl2 F3 Mo N10 O -","- C30 H34 B Cl2 F3 Mo N10 O -","- C240 H272 B8 Cl16 F24 Mo8 N80 O8 -","8","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.1101","0.0595","","","0.1391","0.1607","","","","","","1.028","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129134","13.8205","0.0008","25.6573","0.0019","20.2557","0.0014","90","","92.501","0.003","90","","7175.8","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62.99 H67.99 B2 Cl1.99 F12 Mo2 N20 O4 -","- C62.9939 H67.9878 B2 Cl1.9878 F12 Mo2 N20 O4 -","- C251.976 H271.951 B8 Cl7.9512 F48 Mo8 N80 O16 -","4","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0643","0.0421","","","0.09","0.1029","","","","","","1.044","","","","has coordinates,has disorder","246563","2020-10-21","18:00:00",""
"4129135","11.3506","0.0008","12.5625","0.0009","14.3264","0.0011","84.529","0.002","72.615","0.002","88.843","0.002","1940.6","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H36 B Cl4 F3 Mo N10 O3 -","- C32 H36 B Cl4 F3 Mo N10 O3 -","- C64 H72 B2 Cl8 F6 Mo2 N20 O6 -","2","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0546","0.0363","","","0.0779","0.0852","","","","","","1.023","","","","has coordinates,has disorder","246563","2020-10-21","18:00:00",""
"4129136","13.745","0.0006","15.2669","0.0008","13.937","0.0006","90","","105.432","0.001","90","","2819.1","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","5-JHW-217","","","- C24 H30 B F3 Mo N10 O -","- C24 H30 B F3 Mo N10 O -","- C96 H120 B4 F12 Mo4 N40 O4 -","4","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.059","0.0304","","","0.0616","0.0713","","","","","","1.019","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129137","13.817","0.0013","15.5253","0.0015","14.0856","0.0013","90","","104.603","0.002","90","","2923.9","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","5-JHW-227","","","- C26 H32 B F3 Mo N10 O -","- C26 H32 B F3 Mo N10 O -","- C104 H128 B4 F12 Mo4 N40 O4 -","4","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0803","0.0461","","","0.0765","0.0854","","","","","","1.05","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129138","12.4233","0.0009","15.1163","0.0011","19.2382","0.0014","109.409","0.001","90.253","0.001","109.324","0.001","3188.9","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","5-JHW-245","","","- C27 H34 B F3 Mo N10 O3 -","- C27 H34 B F3 Mo N10 O3 -","- C108 H136 B4 F12 Mo4 N40 O12 -","4","2","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0852","0.0416","","","0.0788","0.0916","","","","","","1.017","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129139","12.423","0.001","18.4355","0.0015","19.7901","0.0016","98.941","0.001","94.15","0.001","97.286","0.001","4421.5","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H28 B F3 Mo N10 O -","- C23 H28 B F3 Mo N10 O -","- C138 H168 B6 F18 Mo6 N60 O6 -","6","3","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0451","0.0297","","","0.0681","0.0745","","","","","","1.02","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4129140","10.8231","0.0012","20.891","0.002","7.2837","0.0008","90","","90.103","0.003","90","","1646.9","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H19 F3 N2 O2 -","- C19 H19 F3 N2 O2 -","- C76 H76 F12 N8 O8 -","4","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0321","0.029","","","0.0687","0.0701","","","","","","1.038","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129141","10.6487","0.0012","7.4485","0.0008","10.8541","0.0012","90","","102.152","0.008","90","","841.62","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","8-benzyl-2,9-dimethyl-4-(trifluoromethyl)-3a,4,7,7a-tetrahydro-1H-4,7-(epiminomethano)isoindole-1,3(2H)-dione","","- C19 H19 F3 N2 O2 -","- C19 H19 F3 N2 O2 -","- C38 H38 F6 N4 O4 -","2","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","1.54178","CuKα","","0.0437","0.0382","","","0.092","0.0953","","","","","","1.029","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129142","11.0432","0.0011","11.4785","0.0011","16.9996","0.0016","101.568","0.003","97.159","0.003","110.427","0.003","1933.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 F6 N2 O3 -","- C20 H18 F6 N2 O3 -","- C80 H72 F24 N8 O12 -","4","2","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0503","0.0407","","","0.1092","0.1179","","","","","","1.053","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129143","19.0565","0.0011","7.1857","0.0004","26.1183","0.0014","90","","110.89","0.003","90","","3341.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 F3 N2 O4 -","- C19 H17 F3 N2 O4 -","- C152 H136 F24 N16 O32 -","8","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","1.54178","CuKα","","0.0387","0.0341","","","0.0868","0.09","","","","","","1.027","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129144","19.218","0.0009","8.0933","0.0004","20.8998","0.0016","90","","96.456","0.002","90","","3230.1","0.3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H14 F3 N3 O2 -","- C18 H14 F3 N3 O2 -","- C144 H112 F24 N24 O16 -","8","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.068","0.0549","","","0.1373","0.1479","","","","","","1.032","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129145","6.6579","0.0003","20.4939","0.0009","12.6239","0.0006","90","","104.427","0.003","90","","1668.17","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-benzyl-2-methyl-1-(trifluoromethyl)-2-azabicyclo[2.2.2]oct-7-ene-6-carbonitrile hydrochloride salt","","- C17 H18 Cl F3 N2 -","- C17 H18 Cl F3 N2 -","- C68 H72 Cl4 F12 N8 -","4","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","1.54178","CuKα","","0.0458","0.0382","","","0.0996","0.1037","","","","","","1.039","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129146","22.224","0.004","12.486","0.003","13.371","0.003","90","","92.751","0.006","90","","3706","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","10JHW085","Methyl 3-benzyl-2-methyl-1-(trifluoromethyl)-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate HCl salt","","- C18 H21 Cl F3 N O2 -","- C18 H21 Cl F3 N O2 -","- C144 H168 Cl8 F24 N8 O16 -","8","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.1016","0.0479","","","0.0764","0.0895","","","","","","1","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129147","10.3107","0.0002","36.0951","0.0009","15.803","0.0005","90","","101.428","0.002","90","","5764.7","0.3","150","2","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H45 B F20 N2 O2 Si W -","- C58 H45 B F20 N2 O2 Si W -","- C232 H180 B4 F80 N8 O8 Si4 W4 -","4","1","","Fuchs, Julien; Irran, Elisabeth; Hrobárik, Peter; Klare, Hendrik F. T.; Oestreich, Martin","Si-H Bond Activation with Bullock's Cationic Tungsten(II) Catalyst: CO as Cooperating Ligand.","Journal of the American Chemical Society","2019","141","47","18845","18850","10.1021/jacs.9b10304","","x-ray","1.54184","CuKα","","0.0961","0.0525","","","0.114","0.1371","","","","","","1.024","","","","has coordinates,has disorder","246561","2020-10-21","18:00:00",""
"4129148","19.1639","0.0012","33.6907","0.0018","23.3216","0.0014","90","","107.481","0.004","90","","14362.1","1.5","100","2","100.04","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C111 H84 F36 N6 P6 S30 -","- C111 H84 F36 N6 P6 S30 -","- C444 H336 F144 N24 P24 S120 -","4","1","","Cetin, Muhammet Mustafa; Beldjoudi, Yassine; Roy, Indranil; Anamimoghadam, Ommid; Bae, Youn Jue; Young, Ryan M.; Krzyaniak, Matthew D.; Stern, Charlotte L.; Philp, Douglas; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Combining Intra- and Intermolecular Charge Transfer with Polycationic Cyclophanes to Design 2D Tessellations.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07877","","","1.54178","CuKα","","0.1438","0.1031","","","0.2702","0.3071","","","","","","1.219","","","","has coordinates,has disorder","227895","2020-10-21","18:00:00",""
"4129149","14.644","0.014","15.121","0.015","18.731","0.017","106.37","0.02","95.64","0.02","98.51","0.03","3893","6","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C158 H147 F36 N25 P6 -","- C158 H147 F36 N25 P6 -","- C158 H147 F36 N25 P6 -","1","0.5","","Cetin, Muhammet Mustafa; Beldjoudi, Yassine; Roy, Indranil; Anamimoghadam, Ommid; Bae, Youn Jue; Young, Ryan M.; Krzyaniak, Matthew D.; Stern, Charlotte L.; Philp, Douglas; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Combining Intra- and Intermolecular Charge Transfer with Polycationic Cyclophanes to Design 2D Tessellations.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07877","","","1.54178","CuKα","","0.0789","0.0437","","","0.1156","0.1265","","","","","","1.02","","","","has coordinates,has disorder","227896","2020-10-21","18:00:00",""
"4129150","9.8431","0.0011","11.9705","0.0015","13.632","0.0016","76.406","0.007","88.334","0.006","73.114","0.006","1492.6","0.3","100","2","99.98","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H38 F24 N4 P4 S4 -","- C50 H38 F24 N4 P4 S4 -","- C50 H38 F24 N4 P4 S4 -","1","0.5","","Cetin, Muhammet Mustafa; Beldjoudi, Yassine; Roy, Indranil; Anamimoghadam, Ommid; Bae, Youn Jue; Young, Ryan M.; Krzyaniak, Matthew D.; Stern, Charlotte L.; Philp, Douglas; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Combining Intra- and Intermolecular Charge Transfer with Polycationic Cyclophanes to Design 2D Tessellations.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07877","","","1.54178","CuKα","","0.107","0.0818","","","0.2149","0.2339","","","","","","1.073","","","","has coordinates,has disorder","227897","2020-10-21","18:00:00",""
"4129151","33.639","0.003","13.6292","0.0013","40.821","0.004","90","","94.175","0.006","90","","18666","3","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H57 F36 N7 P6 -","- C68 H57 F36 N7 P6 -","- C544 H456 F288 N56 P48 -","8","1","","Cetin, Muhammet Mustafa; Beldjoudi, Yassine; Roy, Indranil; Anamimoghadam, Ommid; Bae, Youn Jue; Young, Ryan M.; Krzyaniak, Matthew D.; Stern, Charlotte L.; Philp, Douglas; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Combining Intra- and Intermolecular Charge Transfer with Polycationic Cyclophanes to Design 2D Tessellations.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07877","","","1.54178","CuKα","","0.194","0.1795","","","0.4517","0.4667","","","","","","1.771","","","","has coordinates,has disorder","227898","2020-10-21","18:00:00",""
"4129152","8.0844","0.0009","13.7453","0.0017","14.6707","0.0018","101.113","0.004","105.542","0.003","93.265","0.003","1531","0.3","100","2","100.14","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H54 F24 N10 P4 -","- C56 H54 F24 N10 P4 -","- C56 H54 F24 N10 P4 -","1","0.5","","Cetin, Muhammet Mustafa; Beldjoudi, Yassine; Roy, Indranil; Anamimoghadam, Ommid; Bae, Youn Jue; Young, Ryan M.; Krzyaniak, Matthew D.; Stern, Charlotte L.; Philp, Douglas; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Combining Intra- and Intermolecular Charge Transfer with Polycationic Cyclophanes to Design 2D Tessellations.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07877","","","0.71073","MoKα","","0.0577","0.0495","","","0.1429","0.1503","","","","","","1.029","","","","has coordinates,has disorder","227899","2020-10-21","18:00:00",""
"4129153","70.029","0.005","70.029","0.005","9.1062","0.0007","90","","90","","120","","38674","5","100","2","100.01","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H63 F36 N9 P6 -","- C72 H63 F36 N9 P6 -","- C1296 H1134 F648 N162 P108 -","18","1","","Cetin, Muhammet Mustafa; Beldjoudi, Yassine; Roy, Indranil; Anamimoghadam, Ommid; Bae, Youn Jue; Young, Ryan M.; Krzyaniak, Matthew D.; Stern, Charlotte L.; Philp, Douglas; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Combining Intra- and Intermolecular Charge Transfer with Polycationic Cyclophanes to Design 2D Tessellations.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07877","","","1.54178","CuKα","","0.2232","0.1402","","","0.3522","0.413","","","","","","1.18","","","","has coordinates,has disorder","227900","2020-10-21","18:00:00",""
"4129154","11.1018","0.0006","17.7461","0.0009","18.3231","0.0011","95.924","0.003","107.021","0.002","101.439","0.002","3332.8","0.3","100","2","100.02","","","","","","","","","5","P -1","-P 1","2","","","","- C116 H114 F54 N22 P9 -","- C116 H114 F54 N22 P9 -","- C116 H114 F54 N22 P9 -","1","0.5","","Cetin, Muhammet Mustafa; Beldjoudi, Yassine; Roy, Indranil; Anamimoghadam, Ommid; Bae, Youn Jue; Young, Ryan M.; Krzyaniak, Matthew D.; Stern, Charlotte L.; Philp, Douglas; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Combining Intra- and Intermolecular Charge Transfer with Polycationic Cyclophanes to Design 2D Tessellations.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07877","","","1.54178","CuKα","","0.0952","0.0923","","","0.2588","0.2616","","","","","","1.023","","","","has coordinates,has disorder","227901","2020-10-21","18:00:00",""
"4129155","10.6121","0.0005","28.3323","0.0017","29.5331","0.0017","90","","91.988","0.003","90","","8874.2","0.8","100","2","99.95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76.07 H64.07 F24.27 N8 P4 S16.03 -","- C76.07 H64.07 F24.2761 N8 P4 S16.033 -","- C304.28 H256.28 F97.1044 N32 P16 S64.132 -","4","1","","Cetin, Muhammet Mustafa; Beldjoudi, Yassine; Roy, Indranil; Anamimoghadam, Ommid; Bae, Youn Jue; Young, Ryan M.; Krzyaniak, Matthew D.; Stern, Charlotte L.; Philp, Douglas; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Combining Intra- and Intermolecular Charge Transfer with Polycationic Cyclophanes to Design 2D Tessellations.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07877","","","1.54178","CuKα","","0.1028","0.0983","","","0.204","0.206","","","","","","1.239","","","","has coordinates,has disorder","227902","2020-10-21","18:00:00",""
"4129156","13.2121","0.0008","13.7722","0.0008","13.901","0.0008","87.677","0.003","84.304","0.003","69.418","0.003","2356.2","0.2","100","2","99.96","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 F24 N4 P4 -","- C44 H36 F24 N4 P4 -","- C88 H72 F48 N8 P8 -","2","1","","Cetin, Muhammet Mustafa; Beldjoudi, Yassine; Roy, Indranil; Anamimoghadam, Ommid; Bae, Youn Jue; Young, Ryan M.; Krzyaniak, Matthew D.; Stern, Charlotte L.; Philp, Douglas; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Combining Intra- and Intermolecular Charge Transfer with Polycationic Cyclophanes to Design 2D Tessellations.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07877","","","0.71073","MoKα","","0.0702","0.0556","","","0.1452","0.1565","","","","","","1.027","","","","has coordinates,has disorder","227903","2020-10-21","18:00:00",""
"4129157","3.7553","0.0001","17.3319","0.0004","44.326","0.0014","90","","92.17","0.003","90","","2882.95","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,6-Di(pyrazol-1-yl)pyrimid-2-one (HL1)","","- C10 H8 N6 O -","- C10 H8 N6 O -","- C120 H96 N72 O12 -","12","3","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","0.6889","synchrotron","","0.118","0.0782","","","0.1723","0.1889","","","","","","0.915","","","","has coordinates","246564","2020-10-21","18:00:00",""
"4129158","10.457","0.0003","15.2881","0.0004","15.3002","0.0004","86.767","0.002","77.965","0.003","76.781","0.002","2328.76","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","[4,6-Di(pyrazol-1-yl)pyrimid-2-one]diaqua-bis[acetonitrile] iron(II) diperchlorate (compound 3)","","- C14 H18 Cl2 Fe N8 O11 -","- C14 H18 Cl2 Fe N8 O11 -","- C56 H72 Cl8 Fe4 N32 O44 -","4","2","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","1.54184","CuKα","","0.0677","0.0575","","","0.1615","0.1691","","","","","","1.087","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129159","10.0049","0.0009","10.1934","0.0011","11.1633","0.0011","109.358","0.009","94.272","0.007","91.322","0.008","1069.75","0.19","125","2","125","2","","","","","","","","7","P -1","-P 1","2","","[4,6-Di(pyrazol-1-yl)pyrimid-2-one]triaqua[acetonitrile] iron(II) di[tetrafluoroborate] (compound 4)","","- C12 H17 B2 F8 Fe N7 O4 -","- C12 H17 B2 F8 Fe N7 O4 -","- C24 H34 B4 F16 Fe2 N14 O8 -","2","1","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","1.54184","CuKα","","0.0585","0.0532","","","0.1349","0.1399","","","","","","1.019","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129160","28.138","0.012","20.942","0.011","29.14","0.017","90","","93.17","0.04","90","","17145","15","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Dodecakis-[4,6-di(pyrazol-1-yl)-2-hydroxypyrimidinate]octa-iron(II) hexa-aqua-iron(III) hepta-tetrafluoroborate hexa-acetonitrile solvate","","- C132 H114 B7 F28 Fe9 N78 O18 -","- C132 H114 B7 F28 Fe9 N78 O18 -","- C528 H456 B28 F112 Fe36 N312 O72 -","4","0.5","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","0.6889","synchrotron","","0.0963","0.0805","","","0.259","0.2741","","","","","","1.089","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129161","17.279","0.0004","24.2218","0.0005","25.7224","0.0004","90","","99.479","0.002","90","","10618.6","0.4","125","2","125","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dodecakis-[4,6-di(4-methylpyrazol-1-yl)-2-hydroxypyrimidinate]octa-iron(II) hexa-aqua-iron(III) hepta-tetrafluoroborate acetonitrile diethyl ether solvate","","- C159 H176.5 B7 F28 Fe9 N74.5 O20.5 -","- C159 H164.5 B7 F28 Fe9 N74.5 O20.5 -","- C318 H329 B14 F56 Fe18 N149 O41 -","2","0.5","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","1.54184","CuKα","","0.0759","0.0665","","","0.1862","0.1957","","","","","","1.024","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129162","28.3179","0.0003","21.082","0.0002","29.2509","0.0003","90","","92.81","0.001","90","","17441.7","0.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Dodecakis-[4,6-di(pyrazol-1-yl)-2-hydroxypyrimidinate]octa-iron(II) hexa-aqua-iron(III) hepta-tetrafluoroborate hexa-acetonitrile solvate","","- C132 H114 B7 F28 Fe9 N78 O18 -","- C132 H102 B7 F28 Fe9 N78 O18 -","- C528 H408 B28 F112 Fe36 N312 O72 -","4","0.5","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","0.6889","synchrotron","","0.0873","0.0759","","","0.243","0.2554","","","","","","1.102","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129163","17.4969","0.0005","24.4003","0.0011","25.9749","0.0005","90","","98.569","0.002","90","","10965.7","0.6","250","2","250","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dodecakis-[4,6-di(4-methylpyrazol-1-yl)-2-hydroxypyrimidinate]octa-iron(II) hexa-aqua-iron(III) hepta-tetrafluoroborate acetonitrile diethyl ether solvate","","- C152.8 H162.4 B7 F28 Fe9 N73.8 O19.3 -","- C152.8 H150.4 B7 F28 Fe9 N73.8 O19.3 -","- C305.6 H300.8 B14 F56 Fe18 N147.6 O38.6 -","2","0.5","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","1.54184","CuKα","","0.0854","0.071","","","0.2067","0.2233","","","","","","1.025","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129164","28.4475","0.0003","21.1969","0.0002","29.3353","0.0004","90","","92.571","0.001","90","","17671.3","0.3","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Dodecakis-[4,6-di(pyrazol-1-yl)-2-hydroxypyrimidinate]octa-iron(II) hexa-aqua-iron(III) hepta-tetrafluoroborate hexa-acetonitrile solvate","","- C132 H114 B7 F28 Fe9 N78 O18 -","- C132 H102 B7 F28 Fe9 N78 O18 -","- C528 H408 B28 F112 Fe36 N312 O72 -","4","0.5","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","0.6889","synchrotron","","0.0947","0.0799","","","0.2479","0.2638","","","","","","1.07","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129165","28.1814","0.0003","20.9721","0.0002","29.1619","0.0004","90","","93.064","0.001","90","","17210.7","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Dodecakis-[4,6-di(pyrazol-1-yl)-2-hydroxypyrimidinate]octa-iron(II) hexa-aqua-iron(III) hepta-tetrafluoroborate hexa-acetonitrile solvate","","- C132 H114 B7 F28 Fe9 N78 O18 -","- C132 H102 B7 F28 Fe9 N78 O18 -","- C528 H408 B28 F112 Fe36 N312 O72 -","4","0.5","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","0.6889","synchrotron","","0.0896","0.0785","","","0.2483","0.2595","","","","","","1.1","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129166","17.4408","0.0002","24.2929","0.0002","25.9866","0.0003","90","","99.074","0.001","90","","10872.4","0.2","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dodecakis-[4,6-di(4-methylpyrazol-1-yl)-2-hydroxypyrimidinate]octa-iron(II) hexa-aqua-iron(III) hepta-tetrafluoroborate acetonitrile diethyl ether solvate","","- C155 H166.5 B7 F28 Fe9 N74.5 O19.5 -","- C155 H154.5 B7 F28 Fe9 N74.5 O19.5 -","- C310 H309 B14 F56 Fe18 N149 O39 -","2","0.5","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","1.54184","CuKα","","0.0673","0.0566","","","0.1676","0.178","","","","","","1.022","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129167","6.3701","0.0004","8.0327","0.0006","12.0083","0.0011","77.757","0.007","88.305","0.006","75.102","0.006","580.09","0.08","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","4,6-Di(4-methylpyrazol-1-yl)pyrimid-2-one (HL2)","","- C12 H12 N6 O -","- C12 H12 N6 O -","- C24 H24 N12 O2 -","2","1","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","1.54184","CuKα","","0.0575","0.0512","","","0.1359","0.1416","","","","","","1.037","","","","has coordinates","246564","2020-10-21","18:00:00",""
"4129168","11.1084","0.0002","9.5675","0.0001","21.0007","0.0004","90","","102.628","0.002","90","","2177.96","0.06","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Catena-[2-methyl-4,6-(pyrazol-1-yl)pyrimidine]-aqua-acetone-iron(II) ditetrafluoroborate monohydrate (compound 5.H2O)","","- C14 H20 B2 F8 Fe N6 O3 -","- C14 H20 B2 F8 Fe N6 O3 -","- C56 H80 B8 F32 Fe4 N24 O12 -","4","1","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","1.54184","CuKα","","0.042","0.0372","","","0.0937","0.0969","","","","","","1.048","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129169","10.40748","0.00019","18.4667","0.0004","11.24341","0.00019","90","","101.052","0.0017","90","","2120.82","0.07","295.9","0.3","295.9","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 Br O2 -","- C25 H23 Br O2 -","- C100 H92 Br4 O8 -","4","2","","Chen, Xiao-Wang; Zhu, Lei; Gui, Yong-Yuan; Jing, Ke; Jiang, Yuan-Xu; Bo, Zhi-Yu; Lan, Yu; Li, Jing; Yu, Da-Gang","Highly Selective and Catalytic Generation of Acyclic Quaternary Carbon Stereocenters via Functionalization of 1,3-Dienes with CO<sub>2</sub>.","Journal of the American Chemical Society","2019","141","47","18825","18835","10.1021/jacs.9b09721","","x-ray","1.54184","CuKα","","0.0553","0.0501","","","0.1394","0.1481","","","","","","1.031","","","","has coordinates","246558","2020-10-21","18:00:00",""
"4129170","14.6595","0.0006","9.9009","0.0003","16.7124","0.001","90","","110.621","0.006","90","","2270.3","0.2","294.2","0.6","294.2","0.6","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H25 Br O2 -","- C26 H25 Br O2 -","- C104 H100 Br4 O8 -","4","1","","Chen, Xiao-Wang; Zhu, Lei; Gui, Yong-Yuan; Jing, Ke; Jiang, Yuan-Xu; Bo, Zhi-Yu; Lan, Yu; Li, Jing; Yu, Da-Gang","Highly Selective and Catalytic Generation of Acyclic Quaternary Carbon Stereocenters via Functionalization of 1,3-Dienes with CO<sub>2</sub>.","Journal of the American Chemical Society","2019","141","47","18825","18835","10.1021/jacs.9b09721","","x-ray","1.54184","CuKα","","0.066","0.0639","","","0.1649","0.1694","","","","","","1.047","","","","has coordinates","246558","2020-10-21","18:00:00",""
"4129171","10.4104","0.0004","10.4104","0.0004","10.4104","0.0004","90","","90","","90","","1128.24","0.08","280","2","280","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- I1.01 Li5.74 S4.99 Sb0.92 Si0.08 -","- I1.007 Li5.76 S4.993 Sb0.924 Si0.076 -","- I4.028 Li23.04 S19.972 Sb3.696 Si0.304 -","4","0.0416667","","Zhou, Laidong; Assoud, Abdeljalil; Zhang, Qiang; Wu, Xiaohan; Nazar, Linda F.","A New Family of Argyrodite Thioantimonate Lithium Superionic Conductors.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08357","","","0.71073","MoKα","","0.0099","0.0099","","","0.0226","0.0226","","","","","","1.153","","","","has coordinates","231055","2020-10-21","18:00:00",""
"4129172","10.33","0.002","10.33","0.002","10.33","0.002","90","","90","","90","","1102.3","0.4","280","2","280","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- I0.93 Li6.16 S5.07 Sb0.38 Si0.62 -","- I0.927 Li6.12 S5.073 Sb0.378 Si0.622 -","- I3.708 Li24.48 S20.292 Sb1.512 Si2.488 -","4","0.0416667","","Zhou, Laidong; Assoud, Abdeljalil; Zhang, Qiang; Wu, Xiaohan; Nazar, Linda F.","A New Family of Argyrodite Thioantimonate Lithium Superionic Conductors.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08357","","","0.71073","MoKα","","0.0195","0.0195","","","0.0469","0.0469","","","","","","1.128","","","","has coordinates","231056","2020-10-21","18:00:00",""
"4129173","10.3782","0.0003","10.3782","0.0003","10.3782","0.0003","90","","90","","90","","1117.81","0.06","280","2","280","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- I0.99 Li6.07 S5.01 Sb0.66 Si0.34 -","- I0.988 Li6.048 S5.012 Sb0.658 Si0.342 -","- I3.952 Li24.192 S20.048 Sb2.632 Si1.368 -","4","0.0416667","","Zhou, Laidong; Assoud, Abdeljalil; Zhang, Qiang; Wu, Xiaohan; Nazar, Linda F.","A New Family of Argyrodite Thioantimonate Lithium Superionic Conductors.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08357","","","0.71073","MoKα","","0.0077","0.0077","","","0.0209","0.0209","","","","","","1.364","","","","has coordinates","231057","2020-10-21","18:00:00",""
"4129174","10.354","0.004","10.354","0.004","10.354","0.004","90","","90","","90","","1110","0.7","280","2","280","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- I0.96 Li6.28 S5.04 Sb0.55 Si0.45 -","- I0.963 Li6.24 S5.037 Sb0.549 Si0.451 -","- I3.852 Li24.96 S20.148 Sb2.196 Si1.804 -","4","0.0416667","","Zhou, Laidong; Assoud, Abdeljalil; Zhang, Qiang; Wu, Xiaohan; Nazar, Linda F.","A New Family of Argyrodite Thioantimonate Lithium Superionic Conductors.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08357","","","0.71073","MoKα","","0.0129","0.0129","","","0.0246","0.0246","","","","","","1.049","","","","has coordinates","231058","2020-10-21","18:00:00",""
"4129175","10.4419","0.0006","10.4419","0.0006","10.4419","0.0006","90","","90","","90","","1138.51","0.11","280","2","280","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- I1.03 Li6.47 S4.97 Sb0.8 Sn0.2 -","- I1.033 Li6.48 S4.967 Sb0.8002 Sn0.1999 -","- I4.132 Li25.92 S19.868 Sb3.2008 Sn0.7996 -","4","0.0416667","","Zhou, Laidong; Assoud, Abdeljalil; Zhang, Qiang; Wu, Xiaohan; Nazar, Linda F.","A New Family of Argyrodite Thioantimonate Lithium Superionic Conductors.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08357","","","0.71073","MoKα","","0.0096","0.0096","","","0.0236","0.0236","","","","","","1.063","","","","has coordinates","231059","2020-10-21","18:00:00",""
"4129176","10.4128","0.0016","10.4128","0.0016","10.4128","0.0016","90","","90","","90","","1129","0.3","280","2","280","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- Ge0.22 I0.99 Li5.96 S5.01 Sb0.78 -","- Ge0.22 I0.988 Li6 S5.012 Sb0.78 -","- Ge0.88 I3.952 Li24 S20.048 Sb3.12 -","4","0.0416667","","Zhou, Laidong; Assoud, Abdeljalil; Zhang, Qiang; Wu, Xiaohan; Nazar, Linda F.","A New Family of Argyrodite Thioantimonate Lithium Superionic Conductors.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08357","","","0.71073","MoKα","","0.009","0.009","","","0.0239","0.0239","","","","","","1.167","","","","has coordinates","231060","2020-10-21","18:00:00",""
"4129177","10.406","0.0019","10.406","0.0019","10.406","0.0019","90","","90","","90","","1126.8","0.4","280","2","280","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- Ge0.43 I Li6.22 S5 Sb0.57 -","- Ge0.426 I0.996 Li6.24 S5.004 Sb0.574 -","- Ge1.704 I3.984 Li24.96 S20.016 Sb2.296 -","4","0.0416667","","Zhou, Laidong; Assoud, Abdeljalil; Zhang, Qiang; Wu, Xiaohan; Nazar, Linda F.","A New Family of Argyrodite Thioantimonate Lithium Superionic Conductors.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08357","","","0.71073","MoKα","","0.0079","0.0079","","","0.0187","0.0187","","","","","","1","","","","has coordinates","231061","2020-10-21","18:00:00",""
"4129178","8.2876","0.0005","9.3557","0.0006","15.1595","0.001","87.08","0.005","81.883","0.005","73.572","0.005","1116.06","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C48 H54 N2 O12 S2 -","- C48 H54 N2 O12 S2 -","- C48 H54 N2 O12 S2 -","1","1","","Jin-Zheng Wang; Jin Zhou; Chang Xu; Hongbin Sun; Laszlo Kurti; Qing-Long Xu","Symmetry in Cascade Chirality-Transfer Processes: A Catalytic Atroposelective Direct Arylation Approach to BINOL Derivatives","Journal of the American Chemical Society","2016","138","","5202","5205","10.1021/jacs.6b01458","","","1.54184","CuKα","","0.0359","0.033","","","0.0851","0.0872","","","","","","1.032","","","","has coordinates","231086","2020-10-21","18:00:00",""
"4129179","23.4416","0.0004","23.4416","0.0004","63.1632","0.0019","90","","90","","90","","34708.7","1.3","170","2","170","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C144 H128 Fe4 Mo2 N32 -","- C144 H128 Fe4 Mo2 N32 -","- C1152 H1024 Fe32 Mo16 N256 -","8","0.5","","Arczyński, Mirosław; Stanek, Jan; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","Site-Selective Photoswitching of Two Distinct Magnetic Chromophores in a Propeller-Like Molecule To Achieve Four Different Magnetic States.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09576","","","0.6889","synchrotron","","0.2232","0.1159","","","0.353","0.4033","","","","","","1.06","","","","has coordinates","231141","2020-10-21","18:00:00",""
"4129180","23.1795","0.00006","23.1795","0.00006","62.6916","0.0003","90","","90","","90","","33683.5","0.2","30","2","30","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C144 H128 Fe4 Mo2 N32 -","- C144 H128 Fe4 Mo2 N32 -","- C1152 H1024 Fe32 Mo16 N256 -","8","0.5","","Arczyński, Mirosław; Stanek, Jan; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","Site-Selective Photoswitching of Two Distinct Magnetic Chromophores in a Propeller-Like Molecule To Achieve Four Different Magnetic States.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09576","","","0.6889","synchrotron","","0.2472","0.1344","","","0.3965","0.442","","","","","","1.15","","","","has coordinates","231142","2020-10-21","18:00:00",""
"4129181","23.7611","0.0014","23.7611","0.0014","63.745","0.004","90","","90","","90","","35990","4","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C144 H124 Fe4 N32 W2 -","- C144 H124 Fe4 N32 W2 -","- C1152 H992 Fe32 N256 W16 -","8","0.5","","Arczyński, Mirosław; Stanek, Jan; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","Site-Selective Photoswitching of Two Distinct Magnetic Chromophores in a Propeller-Like Molecule To Achieve Four Different Magnetic States.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09576","","","0.71073","MoKα","","0.1457","0.1064","","","0.2724","0.3301","","","","","","1.046","","","","has coordinates","231143","2020-10-21","18:00:00",""
"4129182","23.6836","0.001","23.6836","0.001","63.305","0.003","90","","90","","90","","35509","3","120","2","120","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C144 H128 Mn4 Mo2 N32 -","- C144 H128 Mn4 Mo2 N32 -","- C1152 H1024 Mn32 Mo16 N256 -","8","0.5","","Arczyński, Mirosław; Stanek, Jan; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","Site-Selective Photoswitching of Two Distinct Magnetic Chromophores in a Propeller-Like Molecule To Achieve Four Different Magnetic States.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09576","","","0.71073","MoKα","","0.1484","0.1236","","","0.3645","0.3976","","","","","","1.796","","","","has coordinates","231144","2020-10-21","18:00:00",""
"4129183","23.1624","0.0003","23.1624","0.0003","62.6742","0.0012","90","","90","","90","","33624.5","0.9","30","","30","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C144 H128 Fe4 Mo2 N32 -","- C144 H128 Fe4 Mo2 N32 -","- C1152 H1024 Fe32 Mo16 N256 -","8","0.5","","Arczyński, Mirosław; Stanek, Jan; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","Site-Selective Photoswitching of Two Distinct Magnetic Chromophores in a Propeller-Like Molecule To Achieve Four Different Magnetic States.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09576","","","0.6889","synchrotron","","0.1629","0.0938","","","0.2746","0.3118","","","","","","1.107","","","","has coordinates","231145","2020-10-21","18:00:00",""
"4129184","23.7526","0.0005","23.7526","0.0005","63.7037","0.0016","90","","90","","90","","35940.7","1.4","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C144 H128 Fe4 Mo2 N32 -","- C144 H128 Fe4 Mo2 N32 -","- C1152 H1024 Fe32 Mo16 N256 -","8","0.5","","Arczyński, Mirosław; Stanek, Jan; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","Site-Selective Photoswitching of Two Distinct Magnetic Chromophores in a Propeller-Like Molecule To Achieve Four Different Magnetic States.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09576","","","0.71073","MoKα","","0.1268","0.0687","","","0.1871","0.2465","","","","","","1.03","","","","has coordinates","231146","2020-10-21","18:00:00",""
"4129185","23.5748","0.0009","23.5748","0.0009","62.588","0.003","90","","90","","90","","34785","3","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C144 H128 Fe4 N32 W2 -","- C144 H128 Fe4 N32 W2 -","- C1152 H1024 Fe32 N256 W16 -","8","0.5","","Arczyński, Mirosław; Stanek, Jan; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","Site-Selective Photoswitching of Two Distinct Magnetic Chromophores in a Propeller-Like Molecule To Achieve Four Different Magnetic States.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09576","","","0.71073","MoKα","","0.1919","0.1777","","","0.4108","0.4227","","","","","","1.141","","","","has coordinates","231147","2020-10-21","18:00:00",""
"4129186","23.2521","0.0003","23.2521","0.0003","62.8697","0.0015","90","","90","","90","","33991.1","1","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C144 H128 Fe4 Mo2 N32 -","- C144 H128 Fe4 Mo2 N32 -","- C1152 H1024 Fe32 Mo16 N256 -","8","0.5","","Arczyński, Mirosław; Stanek, Jan; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","Site-Selective Photoswitching of Two Distinct Magnetic Chromophores in a Propeller-Like Molecule To Achieve Four Different Magnetic States.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09576","","","0.6889","synchrotron","","0.1604","0.0973","","","0.2708","0.3121","","","","","","1.063","","","","has coordinates","231148","2020-10-21","18:00:00",""
"4129187","23.42","0.0009","23.42","0.0009","62.283","0.003","90","","90","","90","","34162","2","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C144 H128 Fe4 N32 W2 -","- C144 H128 Fe4 N32 W2 -","- C1152 H1024 Fe32 N256 W16 -","8","0.5","","Arczyński, Mirosław; Stanek, Jan; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","Site-Selective Photoswitching of Two Distinct Magnetic Chromophores in a Propeller-Like Molecule To Achieve Four Different Magnetic States.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09576","","","0.71073","MoKα","","0.1693","0.1496","","","0.3561","0.374","","","","","","1.057","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4129188","23.674","0.0014","23.674","0.0014","63.057","0.004","90","","90","","90","","35341","4","120","2","120","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C144 H128 Mn4 N32 W2 -","- C144 H128 Mn4 N32 W2 -","- C1152 H1024 Mn32 N256 W16 -","8","0.5","","Arczyński, Mirosław; Stanek, Jan; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","Site-Selective Photoswitching of Two Distinct Magnetic Chromophores in a Propeller-Like Molecule To Achieve Four Different Magnetic States.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09576","","","0.71073","MoKα","","0.1584","0.1455","","","0.3391","0.3492","","","","","","1.087","","","","has coordinates,has disorder","231150","2020-10-21","18:00:00",""
"4129189","4.807","0.0002","7.0174","0.0002","14.3984","0.0006","90","","96.901","0.003","90","","482.18","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10 Br N O -","- C10 H10 Br N O -","- C20 H20 Br2 N2 O2 -","2","1","","Zhou, Zijun; Chen, Shuming; Hong, Yubiao; Winterling, Erik; Tan, Yuqi; Hemming, Marcel; Harms, Klaus; Houk, K. N.; Meggers, Eric","Non-C2-Symmetric Chiral-at-Ruthenium Catalyst for Highly Efficient Enantioselective Intramolecular C(sp3)‒H Amidation","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09301","","","1.54186","CuKα","","0.0235","0.0235","","","0.0625","0.0625","","","","","","1.098","","","","has coordinates","231151","2020-10-21","18:00:00",""
"4129190","13.4873","0.0001","13.4873","0.0001","42.0533","0.0003","90","","90","","90","","7649.8","0.1","100","2","100","2","","","","","","","","9","P 43 21 2","P 4nw 2abw","96","","","","- C38 H36 Cl2 F6 N5 O2 P Ru S -","- C38 H36 Cl2 F6 N5 O2 P Ru S -","- C304 H288 Cl16 F48 N40 O16 P8 Ru8 S8 -","8","1","","Zhou, Zijun; Chen, Shuming; Hong, Yubiao; Winterling, Erik; Tan, Yuqi; Hemming, Marcel; Harms, Klaus; Houk, K. N.; Meggers, Eric","Non-C2-Symmetric Chiral-at-Ruthenium Catalyst for Highly Efficient Enantioselective Intramolecular C(sp3)‒H Amidation","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09301","","","1.54186","CuKα","","0.0308","0.028","","","0.0706","0.0717","","","","","","1.054","","","","has coordinates","231152","2020-10-21","18:00:00",""
"4129191","8.3443","0.0003","9.168","0.0002","21.3184","0.0009","90","","98.157","0.003","90","","1614.37","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H29 B2 F8 N7 Ru -","- C32 H29 B2 F8 N7 Ru -","- C64 H58 B4 F16 N14 Ru2 -","2","1","","Zhou, Zijun; Chen, Shuming; Hong, Yubiao; Winterling, Erik; Tan, Yuqi; Hemming, Marcel; Harms, Klaus; Houk, K. N.; Meggers, Eric","Non-C2-Symmetric Chiral-at-Ruthenium Catalyst for Highly Efficient Enantioselective Intramolecular C(sp3)‒H Amidation","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09301","","","1.54186","CuKα","","0.059","0.0543","","","0.1341","0.1365","","","","","","0.995","","","","has coordinates,has disorder","231153","2020-10-21","18:00:00",""
"4129192","8.0846","0.0003","8.5347","0.0002","10.5749","0.0003","80.899","0.001","69.378","0.001","69.116","0.001","637.6","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 O2 S2 -","- C14 H10 O2 S2 -","- C28 H20 O4 S4 -","2","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.0434","0.039","","","0.1084","0.1135","","","","","","1.053","","","","has coordinates,has disorder","231154","2020-10-21","18:00:00",""
"4129193","11.6194","0.0003","14.9131","0.0004","19.1328","0.0006","90","","96.377","0.001","90","","3294.84","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Cl3 Ir O2 -","- C38 H34 Cl3 Ir O2 -","- C152 H136 Cl12 Ir4 O8 -","4","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.0339","0.0297","","","0.0778","0.0805","","","","","","1.06","","","","has coordinates","231155","2020-10-21","18:00:00",""
"4129194","27.87","0.0006","10.0336","0.0002","21.8371","0.0004","90","","95.852","0.001","90","","6074.6","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H37 Ir O4 -","- C33 H37 Ir O4 -","- C264 H296 Ir8 O32 -","8","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.0415","0.0299","","","0.0708","0.0785","","","","","","1.018","","","","has coordinates","231156","2020-10-21","18:00:00",""
"4129195","8.4215","0.0005","12.5098","0.0006","14.2452","0.0007","84.708","0.002","75.309","0.002","80.479","0.002","1429.7","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 F6 Ir O2 -","- C30 H27 F6 Ir O2 -","- C60 H54 F12 Ir2 O4 -","2","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.0281","0.0254","","","0.062","0.0639","","","","","","1.065","","","","has coordinates,has disorder","231157","2020-10-21","18:00:00",""
"4129196","12.011","0.0006","15.6494","0.0007","13.2711","0.0006","90","","107.777","0.002","90","","2375.39","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 Ir O2 -","- C27 H35 Ir O2 -","- C108 H140 Ir4 O8 -","4","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.0376","0.0305","","","0.0666","0.0708","","","","","","1.021","","","","has coordinates","231158","2020-10-21","18:00:00",""
"4129197","8.3749","0.0002","10.8449","0.0002","19.0538","0.0004","90","","96.956","0.001","90","","1717.82","0.06","170","2","169.99","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","1.34139","GaKα","","0.0628","0.0541","","","0.1329","0.1408","","","","","","1.043","","","","has coordinates","231159","2020-10-21","18:00:00",""
"4129198","11.4397","0.0004","8.1352","0.0003","37.4815","0.0015","90","","90","","90","","3488.2","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C176 H176 O24 -","8","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.0555","0.0401","","","0.1002","0.1125","","","","","","1.037","","","","has coordinates","231160","2020-10-21","18:00:00",""
"4129199","14.9152","0.0004","11.8603","0.0003","15.7184","0.0004","90","","104.103","0.001","90","","2696.76","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 Ir O2 -","- C33 H31 Ir O2 -","- C132 H124 Ir4 O8 -","4","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.0289","0.0214","","","0.0507","0.0557","","","","","","1.04","","","","has coordinates,has disorder","231161","2020-10-21","18:00:00",""
"4129200","13.8601","0.0004","8.3606","0.0003","16.7517","0.0006","90","","92.237","0.001","90","","1939.69","0.11","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 O2 -","- C26 H22 O2 -","- C104 H88 O8 -","4","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.0474","0.039","","","0.0945","0.1012","","","","","","1.047","","","","has coordinates","231163","2020-10-21","18:00:00",""
"4129201","12.6525","0.0006","20.2747","0.001","10.7989","0.0006","90","","109.136","0.002","90","","2617.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 Ir O4 -","- C30 H33 Ir O4 -","- C120 H132 Ir4 O16 -","4","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.0391","0.0301","","","0.0677","0.0725","","","","","","1.023","","","","has coordinates","231164","2020-10-21","18:00:00",""
"4129202","7.5725","0.0003","26.0736","0.0011","7.1934","0.0003","90","","95.429","0.001","90","","1413.91","0.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C72 H56 O12 -","4","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.05","0.0379","","","0.0979","0.1076","","","","","","1.038","","","","has coordinates","231165","2020-10-21","18:00:00",""
"4129203","10.1182","0.0003","10.2911","0.0004","10.6843","0.0004","75.883","0.001","71.142","0.001","61.139","0.001","916.85","0.06","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 O3 -","- C24 H18 O3 -","- C48 H36 O6 -","2","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.0564","0.0453","","","0.1181","0.1288","","","","","","1.075","","","","has coordinates","231166","2020-10-21","18:00:00",""
"4129204","8.053","0.004","7.997","0.003","18.536","0.008","90","","102.503","0.011","90","","1165.4","0.9","298","2","298","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C6 H20 Ag Bi Br7 Cs N2 -","- C6 H20 Ag Bi Br7 Cs N2 -","- C12 H40 Ag2 Bi2 Br14 Cs2 N4 -","2","0.5","","Mao, Lingling; Teicher, Samuel M. L.; Stoumpos, Constantinos C.; Kennard, Rhys M.; DeCrescent, Ryan A.; Wu, Guang; Schuller, Jon A.; Chabinyc, Michael L.; Cheetham, Anthony K.; Seshadri, Ram","Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09945","","","0.71073","MoKα","","0.2065","0.1304","","","0.2742","0.3171","","","","","","1.048","","","","has coordinates,has disorder","231167","2020-10-21","18:00:00",""
"4129205","8.1018","0.0003","8.2433","0.0003","9.6813","0.0004","101.196","0.001","92.055","0.002","90.396","0.001","633.79","0.04","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H28 Ag Bi Br8 N4 -","- C8 H28 Ag Bi Br8 N4 -","- C8 H28 Ag Bi Br8 N4 -","1","0.5","","Mao, Lingling; Teicher, Samuel M. L.; Stoumpos, Constantinos C.; Kennard, Rhys M.; DeCrescent, Ryan A.; Wu, Guang; Schuller, Jon A.; Chabinyc, Michael L.; Cheetham, Anthony K.; Seshadri, Ram","Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09945","","","0.71073","MoKα","","0.0445","0.0421","","","0.114","0.1162","","","","","","1.085","","","","has coordinates","231168","2020-10-21","18:00:00",""
"4129206","8.2024","0.0007","8.1797","0.0006","21.1217","0.0018","90","","101.195","0.003","90","","1390.2","0.2","293","","293","","","","","","","","Precipitation from HBr solution","6","P 1 2/m 1","-P 2y","10","OCA4AgBiBr8","","","- C32 H80 Ag Bi Br8 N4 -","- C32 H80 Ag Bi Br8 N4 -","- C32 H80 Ag Bi Br8 N4 -","1","0.25","","Mao, Lingling; Teicher, Samuel M. L.; Stoumpos, Constantinos C.; Kennard, Rhys M.; DeCrescent, Ryan A.; Wu, Guang; Schuller, Jon A.; Chabinyc, Michael L.; Cheetham, Anthony K.; Seshadri, Ram","Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09945","","x-ray","0.71073","MoKα","","0.1223","0.0919","","","0.2714","0.2752","","","","5.54","5.54","4.65","","","","has coordinates","231169","2020-10-21","18:00:00",""
"4129207","7.454","0.003","7.866","0.003","24.629","0.008","90.141","0.01","89.992","0.01","90.049","0.011","1444.1","0.9","298","2","298.41","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H40 Ag Cl8 In N4 -","- C12 H40 Ag Cl8 In N4 -","- C24 H80 Ag2 Cl16 In2 N8 -","2","1","","Mao, Lingling; Teicher, Samuel M. L.; Stoumpos, Constantinos C.; Kennard, Rhys M.; DeCrescent, Ryan A.; Wu, Guang; Schuller, Jon A.; Chabinyc, Michael L.; Cheetham, Anthony K.; Seshadri, Ram","Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09945","","","0.71073","MoKα","","0.1962","0.0771","","","0.1999","0.2696","","","","","","0.953","","","","has coordinates","231170","2020-10-21","18:00:00",""
"4129208","24.5633","0.0013","7.7838","0.0004","8.2501","0.0004","90","","90.091","0.002","90","","1577.38","0.14","293","","293","","","","","","","","Precipitation from HBr solution","6","C 1 2/m 1","-C 2y","12","PA4AgInBr8","","","- C12 H40 Ag Br8 In N4 -","- C12 H40 Ag Br8 In N4 -","- C24 H80 Ag2 Br16 In2 N8 -","2","0.25","","Mao, Lingling; Teicher, Samuel M. L.; Stoumpos, Constantinos C.; Kennard, Rhys M.; DeCrescent, Ryan A.; Wu, Guang; Schuller, Jon A.; Chabinyc, Michael L.; Cheetham, Anthony K.; Seshadri, Ram","Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09945","","x-ray","0.71073","MoKα","","0.0661","0.0496","","","0.1457","0.1472","","","","4.3","4.3","3.75","","","","has coordinates","231171","2020-10-21","18:00:00",""
"4129209","24.503","0.007","7.964","0.002","8.384","0.002","90","","90.045","0.009","90","","1636.1","0.7","293","","293","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H40 Ag Bi Br8 N4 -","- C12 H40 Ag Bi Br8 N4 -","- C24 H80 Ag2 Bi2 Br16 N8 -","2","0.25","","Mao, Lingling; Teicher, Samuel M. L.; Stoumpos, Constantinos C.; Kennard, Rhys M.; DeCrescent, Ryan A.; Wu, Guang; Schuller, Jon A.; Chabinyc, Michael L.; Cheetham, Anthony K.; Seshadri, Ram","Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09945","","","0.71073","MoKα","","0.1389","0.0961","","","0.2679","0.2822","","","","","","1.125","","","","has coordinates,has disorder","231172","2020-10-21","18:00:00",""
"4129210","8.008","0.01","7.877","0.009","18.31","0.02","90","","102.6","0.03","90","","1127","2","293","2","293","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C6 H20 Ag Bi0.52 Br7 Cs In0.48 N2 -","- C6 H20 Ag Bi0.52 Br7 Cs In0.48 N2 -","- C12 H40 Ag2 Bi1.04 Br14 Cs2 In0.96 N4 -","2","0.5","","Mao, Lingling; Teicher, Samuel M. L.; Stoumpos, Constantinos C.; Kennard, Rhys M.; DeCrescent, Ryan A.; Wu, Guang; Schuller, Jon A.; Chabinyc, Michael L.; Cheetham, Anthony K.; Seshadri, Ram","Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09945","","","0.71073","MoKα","","0.1908","0.1313","","","0.2581","0.2802","","","","","","1.16","","","","has coordinates,has disorder","231173","2020-10-21","18:00:00",""
"4129211","8.9596","0.0002","8.9596","0.0002","38.488","0.0011","90","","90","","90","","3089.6","0.13","180","2","180","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C15 H16 Br N3 O -","- C15 H16 Br N3 O -","- C120 H128 Br8 N24 O8 -","8","1","","Reid, Jolene P.; Proctor, Rupert S. J.; Sigman, Matthew S.; Phipps, Robert J.","Predictive Multivariate Linear Regression Analysis Guides Successful Catalytic Enantioselective Minisci Reactions of Diazines.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11658","","","1.54178","CuKα","","0.0381","0.0304","","","0.0603","0.0629","","","","","","1.028","","","","has coordinates","231174","2020-10-21","18:00:00",""
"4129212","9.6518","0.0004","11.5771","0.0004","23.0833","0.0011","78.419","0.002","87.129","0.002","62.511","0.0018","2238.84","0.17","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C92 H124 N20 O4 -","- C92 H109 N20 O4 -","- C92 H109 N20 O4 -","1","1","","Richards, Gary J.; Cador, Aël; Yamada, Shinji; Middleton, Anna; Webre, Whitney A.; Labuta, Jan; Karr, Paul A.; Ariga, Katsuhiko; D'Souza, Francis; Kahlal, Samia; Halet, Jean-François; Hill, Jonathan P.","Amphiprotism-Coupled Near-Infrared Emission in Extended Pyrazinacenes Containing Seven Linearly Fused Pyrazine Units.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10952","","","1.54187","CuKα","","0.2249","0.1049","","","0.2258","0.2922","","","","","","0.916","","","","has coordinates","231175","2020-10-21","18:00:00",""
"4129213","17.589","","27.1959","","19.5849","","90","","90","","90","","9368.41","","123","","123","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C90 H137 N17 O3 -","- C89 H23 N17 O3 -","- C356 H92 N68 O12 -","4","1","","Richards, Gary J.; Cador, Aël; Yamada, Shinji; Middleton, Anna; Webre, Whitney A.; Labuta, Jan; Karr, Paul A.; Ariga, Katsuhiko; D'Souza, Francis; Kahlal, Samia; Halet, Jean-François; Hill, Jonathan P.","Amphiprotism-Coupled Near-Infrared Emission in Extended Pyrazinacenes Containing Seven Linearly Fused Pyrazine Units.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10952","","","1.54187","CuKα","","0.3446","0.1066","","","0.239","0.3173","","","","","","1.067","","","","has coordinates","231176","2020-10-21","18:00:00",""
"4129214","9.8937","0.0016","9.8937","0.0016","10.0991","0.0017","90","","90","","90","","988.6","0.3","200","2","200.01","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- In8 Ir2 S -","- In8 Ir2 S -","- In32 Ir8 S4 -","4","0.25","","Khoury, Jason F.; Rettie, Alexander J. E.; Khan, Mojammel A.; Ghimire, Nirmal J.; Robredo, Iñigo; Pfluger, Jonathan E.; Pal, Koushik; Wolverton, Christopher; Bergara, Aitor; Jiang, Jidong Samuel; Schoop, Leslie M.; Vergniory, Maia G.; Mitchell, J. F.; Chung, Duck Young; Kanatzidis, Mercouri G.","A new three-dimensional subsulfide Ir<sub>2</sub>In<sub>8</sub>S with Dirac semimetal behavior.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10147","","","0.71073","MoKα","","0.0561","0.0551","","","0.1325","0.1329","","","","","","1.456","","","","has coordinates","231177","2020-10-21","18:00:00",""
"4129215","13.2588","0.0008","10.3996","0.0006","17.3331","0.001","90","","108.54","0.001","90","","2266","0.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 F12 N2 O4 Zn -","- C16 H18 F12 N2 O4 Zn -","- C64 H72 F48 N8 O16 Zn4 -","4","1","","Ni, Jun; Yan, He; Wang, Anchuang; Yang, Yu; Stern, Charlotte L.; Metz, Andrew W.; Jin, Shu; Wang, Lian; Marks, Tobin J.; Ireland, John R.; Kannewurf, Carl R.","MOCVD-derived highly transparent, conductive zinc- and tin-doped indium oxide thin films: precursor synthesis, metastable phase film growth and characterization, and application as anodes in polymer light-emitting diodes.","Journal of the American Chemical Society","2005","127","15","5613","5624","10.1021/ja044643g","","","0.71073","MoKα","","0.0335","0.0277","","","0.0723","0.0764","","","","","","1.037","","","","has coordinates","239997","2020-10-21","18:00:00",""
"4129216","10.7229","0.0011","17.7077","0.0019","24.76","0.003","90","","90.914","0.002","90","","4700.8","0.9","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 F12 N2 O4 Zn -","- C16 H18 F12 N2 O4 Zn -","- C128 H144 F96 N16 O32 Zn8 -","8","2","","Ni, Jun; Yan, He; Wang, Anchuang; Yang, Yu; Stern, Charlotte L.; Metz, Andrew W.; Jin, Shu; Wang, Lian; Marks, Tobin J.; Ireland, John R.; Kannewurf, Carl R.","MOCVD-derived highly transparent, conductive zinc- and tin-doped indium oxide thin films: precursor synthesis, metastable phase film growth and characterization, and application as anodes in polymer light-emitting diodes.","Journal of the American Chemical Society","2005","127","15","5613","5624","10.1021/ja044643g","","","0.71073","MoKα","","0.0736","0.0562","","","0.1513","0.163","","","","","","1.024","","","","has coordinates,has disorder","239998","2020-10-21","18:00:00",""
"4129217","18.216","0.006","10.448","0.002","13.242","0.004","90","","105.617","0.015","90","","2427.2","1.2","280","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 F12 N2 O4 Zn -","- C16 H18 F12 N2 O4 Zn -","- C64 H72 F48 N8 O16 Zn4 -","4","0.5","","Ni, Jun; Yan, He; Wang, Anchuang; Yang, Yu; Stern, Charlotte L.; Metz, Andrew W.; Jin, Shu; Wang, Lian; Marks, Tobin J.; Ireland, John R.; Kannewurf, Carl R.","MOCVD-derived highly transparent, conductive zinc- and tin-doped indium oxide thin films: precursor synthesis, metastable phase film growth and characterization, and application as anodes in polymer light-emitting diodes.","Journal of the American Chemical Society","2005","127","15","5613","5624","10.1021/ja044643g","","","0.71073","MoKα","","0.0963","0.0447","","","0.1222","0.1454","","","","","","0.953","","","","has coordinates,has disorder","239999","2020-10-21","18:00:00",""
"4129218","11.939","0.003","12.033","0.003","12.538","0.003","72.016","0.004","61.72","0.004","67.79","0.004","1449.9","0.6","169","2","169","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H46 Li3 O6 -","- C24 H46 Li3 O6 -","- C48 H92 Li6 O12 -","2","1","","Rodriguez-Delgado, Antonio; Chen, Eugene Y.-X.","Single-site anionic polymerization. Monomeric ester enolaluminate propagator synthesis, molecular structure, and polymerization mechanism.","Journal of the American Chemical Society","2005","127","3","961","974","10.1021/ja044671z","","","0.71073","MoKα","","0.0864","0.0695","","","0.1877","0.2018","","","","","","1.025","","","","has coordinates","240000","2020-10-21","18:00:00",""
"4129219","18.284","0.014","12.623","0.01","20.466","0.016","90","","90","","90","","4724","6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H8 Al F15 O2 -","- C23 H8 Al F15 O2 -","- C184 H64 Al8 F120 O16 -","8","1","","Rodriguez-Delgado, Antonio; Chen, Eugene Y.-X.","Single-site anionic polymerization. Monomeric ester enolaluminate propagator synthesis, molecular structure, and polymerization mechanism.","Journal of the American Chemical Society","2005","127","3","961","974","10.1021/ja044671z","","","0.71073","MoKα","","0.0636","0.0344","","","0.0812","0.0908","","","","","","0.632","","","","has coordinates","240001","2020-10-21","18:00:00",""
"4129220","9.119","0.007","24.277","0.017","17.121","0.012","90","","93.528","0.016","90","","3783","5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H62 Al Li O4 -","- C38 H62 Al Li O4 -","- C152 H248 Al4 Li4 O16 -","4","1","","Rodriguez-Delgado, Antonio; Chen, Eugene Y.-X.","Single-site anionic polymerization. Monomeric ester enolaluminate propagator synthesis, molecular structure, and polymerization mechanism.","Journal of the American Chemical Society","2005","127","3","961","974","10.1021/ja044671z","","","0.71073","MoKα","","0.0979","0.0631","","","0.1522","0.1695","","","","","","1.022","","","","has coordinates","240002","2020-10-21","18:00:00",""
"4129221","19.1932","0.001","10.1436","0.0005","19.6711","0.001","90","","93.812","0.001","90","","3821.3","0.3","150","1","150","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H40 B2 Fe N12 -","- C40 H40 B2 Fe N12 -","- C160 H160 B8 Fe4 N48 -","4","1","","Reger, Daniel L.; Gardinier, James R.; Gemmill, William R.; Smith, Mark D.; Shahin, Ahmed M.; Long, Gary J.; Rebbouh, Leila; Grandjean, Fernande","Formation of third generation poly(pyrazolyl)borate ligands from alkyne coupling reactions of Fe[(p-IC6H4)B(3-Rpz)3]2 (R = H, Me; pz = pyrazolyl): pathways toward controlling an iron(II) electronic spin-state crossover.","Journal of the American Chemical Society","2005","127","7","2303","2316","10.1021/ja044900h","","","0.71073","MoKα","","0.0471","0.0396","","","0.1036","0.1093","","","","","","1.025","","","","has coordinates","240003","2020-10-21","18:00:00",""
"4129222","15.297","0.0009","11.9528","0.0007","14.1961","0.0008","90","","97.659","0.001","90","","2572.5","0.3","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 B2 Fe N12 Si2 -","- C46 H56 B2 Fe N12 Si2 -","- C92 H112 B4 Fe2 N24 Si4 -","2","0.5","","Reger, Daniel L.; Gardinier, James R.; Gemmill, William R.; Smith, Mark D.; Shahin, Ahmed M.; Long, Gary J.; Rebbouh, Leila; Grandjean, Fernande","Formation of third generation poly(pyrazolyl)borate ligands from alkyne coupling reactions of Fe[(p-IC6H4)B(3-Rpz)3]2 (R = H, Me; pz = pyrazolyl): pathways toward controlling an iron(II) electronic spin-state crossover.","Journal of the American Chemical Society","2005","127","7","2303","2316","10.1021/ja044900h","","","0.71073","MoKα","","0.0849","0.0638","","","0.1672","0.1803","","","","","","1.016","","","","has coordinates,has disorder","240004","2020-10-21","18:00:00",""
"4129223","19.2722","0.001","10.1801","0.0005","20.1124","0.001","90","","92.995","0.001","90","","3940.5","0.3","294","1","294","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H40 B2 Fe N12 -","- C40 H40 B2 Fe N12 -","- C160 H160 B8 Fe4 N48 -","4","1","","Reger, Daniel L.; Gardinier, James R.; Gemmill, William R.; Smith, Mark D.; Shahin, Ahmed M.; Long, Gary J.; Rebbouh, Leila; Grandjean, Fernande","Formation of third generation poly(pyrazolyl)borate ligands from alkyne coupling reactions of Fe[(p-IC6H4)B(3-Rpz)3]2 (R = H, Me; pz = pyrazolyl): pathways toward controlling an iron(II) electronic spin-state crossover.","Journal of the American Chemical Society","2005","127","7","2303","2316","10.1021/ja044900h","","","0.71073","MoKα","","0.0619","0.0446","","","0.1156","0.127","","","","","","1.028","","","","has coordinates","240005","2020-10-21","18:00:00",""
"4129224","18.7923","0.001","10.1073","0.0005","19.8578","0.001","90","","94.987","0.001","90","","3757.5","0.3","90","1","90","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H40 B2 Fe N12 -","- C40 H40 B2 Fe N12 -","- C160 H160 B8 Fe4 N48 -","4","1","","Reger, Daniel L.; Gardinier, James R.; Gemmill, William R.; Smith, Mark D.; Shahin, Ahmed M.; Long, Gary J.; Rebbouh, Leila; Grandjean, Fernande","Formation of third generation poly(pyrazolyl)borate ligands from alkyne coupling reactions of Fe[(p-IC6H4)B(3-Rpz)3]2 (R = H, Me; pz = pyrazolyl): pathways toward controlling an iron(II) electronic spin-state crossover.","Journal of the American Chemical Society","2005","127","7","2303","2316","10.1021/ja044900h","","","0.71073","MoKα","","0.0448","0.0382","","","0.0963","0.1008","","","","","","1.03","","","","has coordinates","240006","2020-10-21","18:00:00",""
"4129225","25.957","0.0012","10.0679","0.0005","21.0622","0.001","90","","120.673","0.001","90","","4734.2","0.4","294","1","294","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H48 B2 Fe N12 -","- C52 H48 B2 Fe N12 -","- C208 H192 B8 Fe4 N48 -","4","0.5","","Reger, Daniel L.; Gardinier, James R.; Gemmill, William R.; Smith, Mark D.; Shahin, Ahmed M.; Long, Gary J.; Rebbouh, Leila; Grandjean, Fernande","Formation of third generation poly(pyrazolyl)borate ligands from alkyne coupling reactions of Fe[(p-IC6H4)B(3-Rpz)3]2 (R = H, Me; pz = pyrazolyl): pathways toward controlling an iron(II) electronic spin-state crossover.","Journal of the American Chemical Society","2005","127","7","2303","2316","10.1021/ja044900h","","","0.71073","MoKα","","0.0617","0.0443","","","0.1009","0.1064","","","","","","0.972","","","","has coordinates","240007","2020-10-21","18:00:00",""
"4129226","11.0861","0.0005","12.1285","0.0005","16.1999","0.0007","68.696","0.001","81.587","0.001","88.82","0.001","2006.27","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H48 B2 Cu2 F40 N6 O6 -","- C82 H48 B2 Cu2 F40 N6 O6 -","- C82 H48 B2 Cu2 F40 N6 O6 -","1","0.5","","Shearer, Jason; Zhang, Christiana Xin; Zakharov, Lev N.; Rheingold, Arnold L.; Karlin, Kenneth D.","Substrate oxidation by copper-dioxygen adducts: mechanistic considerations.","Journal of the American Chemical Society","2005","127","15","5469","5483","10.1021/ja045191a","","","0.71073","MoKα","","0.0407","0.0356","","","0.0985","0.1026","","","","","","0.987","","","","has coordinates","240008","2020-10-21","18:00:00",""
"4129227","11.2987","0.0004","14.7901","0.0005","15.8237","0.0006","108.725","0.002","104.597","0.002","105.35","0.002","2244.56","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H68 B2 Cu2 F40 N10 O3 -","- C89 H60 B2 Cu2 F40 N10 O3 -","- C89 H60 B2 Cu2 F40 N10 O3 -","1","0.5","","Shearer, Jason; Zhang, Christiana Xin; Zakharov, Lev N.; Rheingold, Arnold L.; Karlin, Kenneth D.","Substrate oxidation by copper-dioxygen adducts: mechanistic considerations.","Journal of the American Chemical Society","2005","127","15","5469","5483","10.1021/ja045191a","","","0.71073","MoKα","","0.0925","0.0589","","","0.1712","0.201","","","","","","1.141","","","","has coordinates","240009","2020-10-21","18:00:00",""
"4129228","13.1013","0.0014","14.4428","0.0016","16.9894","0.0019","77.984","0.002","67.962","0.001","89.536","0.002","2905.8","0.6","98","2","98","2","","","","","","","","7","P -1","-P 1","2","[PhBP3]CoOSiPh3","","","- C72 H65 B Co O P3 Si -","- C72 H65 B Co O P3 Si -","- C144 H130 B2 Co2 O2 P6 Si2 -","2","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0456","0.0336","","","0.0673","0.0698","","","","","","1.486","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129229","38.2238","0.0008","38.2238","0.0008","12.4091","0.0005","90","","90","","90","","18130.4","0.9","98","2","98","2","","","","","","","","6","I 41/a :2","-I 4ad","88","[PhBP3]CoO(4-tBu-Ph)","","","- C55 H54 B Co O P3 -","- C55 H54 B Co O P3 -","- C880 H864 B16 Co16 O16 P48 -","16","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.097","0.056","","","0.0808","0.0837","","","","","","3.011","","","","has coordinates,has disorder","240010","2020-10-21","18:00:00",""
"4129230","16.8066","0.0016","14.0767","0.0013","19.2736","0.0018","90","","113.801","0.002","90","","4172","0.7","96","","96","2","","","","","","","","6","P 1 21 1","P 2yb","4","[PhBP3]CoSPh","","","- C102 H92 B2 Co2 P6 S2 -","- C51 H46 B Co P3 S -","- C204 H184 B4 Co4 P12 S4 -","4","2","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0857","0.0463","","","0.0661","0.0722","","","","","","1.036","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129231","12.0158","0.0009","12.5469","0.0009","15.5078","0.0012","77.78","0.001","77.546","0.001","77.919","0.001","2198.2","0.3","100","","100","2","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoS(2,6-Me2-Ph)","","","- C53 H50 B Co P3 S -","- C53 H50 B Co P3 S -","- C106 H100 B2 Co2 P6 S2 -","2","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0566","0.0405","","","0.0743","0.0762","","","","","","2.117","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129232","15.3738","0.0011","17.3171","0.0013","20.7953","0.0015","65.655","0.001","87.329","0.002","88.642","0.002","5038.5","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoS(2,4,6-iPr-Ph)","","","- C60 H64 B Co P3 S -","- C60 H64 B Co P3 S -","- C240 H256 B4 Co4 P12 S4 -","4","2","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0977","0.0482","","","0.0836","0.0931","","","","","","1.098","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129233","13.8333","0.001","13.9539","0.001","17.5922","0.0013","99.145","0.001","106.587","0.001","107.029","0.001","3000.8","0.4","96","","96","","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoS(2,4,6-tBu-Ph)","","","- C69 H76 B Co P3 S -","- C69 H76 B Co P3 S -","- C138 H152 B2 Co2 P6 S2 -","2","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.1759","0.0663","","","0.1133","0.1318","","","","","","1.576","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129234","11.0416","0.0008","12.8426","0.0009","22.3975","0.0015","87.228","0.001","81.435","0.001","73.024","0.001","3003.7","0.4","96","","96","","","","","","","","","7","P -1","-P 1","2","[PhBP3]CoSSiPh3","","","- C75 H68 B Co P3 S Si -","- C75 H68 B Co P3 S Si -","- C150 H136 B2 Co2 P6 S2 Si2 -","2","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.1081","0.0529","","","0.0777","0.0863","","","","","","1.216","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129235","12.1092","0.0011","12.3919","0.0011","21.3227","0.0019","80.696","0.002","75.993","0.002","72.962","0.001","2954","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","[PhBP3]CoO(4-NMe2-Ph)3","","","- C69 H71 B Co N3 O P3 Si -","- C69 H71 B Co N3 O P3 Si -","- C138 H142 B2 Co2 N6 O2 P6 Si2 -","2","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0877","0.0485","","","0.0712","0.0751","","","","","","1.734","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129236","12.942","0.001","20.8485","0.0015","21.5457","0.0016","77.529","0.001","82.143","0.001","88.626","0.001","5622.9","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoOCPh3","","","- C70 H62 B Co O P3 -","- C70 H62 B Co O P3 -","- C280 H248 B4 Co4 O4 P12 -","4","2","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0797","0.0457","","","0.0867","0.093","","","","","","1.406","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129237","10.3161","0.0004","14.4678","0.0006","29.963","0.0013","90","","90","","90","","4472","0.3","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[PhBPiPr3]CoSSiPh3","","","- C45 H68 B Co P3 S Si -","- C45 H68 B Co P3 S Si -","- C180 H272 B4 Co4 P12 S4 Si4 -","4","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0587","0.0431","","","0.0606","0.0622","","","","","","1.37","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129238","13.592","0.002","14.814","0.002","19.251","0.003","72.567","0.003","87.945","0.003","82.565","0.002","3667.1","0.9","100","","100","","","","","","","","","8","P -1","-P 1","2","{[PhBP3]CoOSiPh3}{BPh4}","","","- C88.5 H79 B2 Cl1.5 Co O P3 Si -","- C88.5 H79 B2 Cl3 Co O P3 Si -","- C177 H158 B4 Cl6 Co2 O2 P6 Si2 -","2","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.1658","0.0643","","","0.1156","0.1381","","","","","","1.11","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129239","23.0774","0.0018","13.6982","0.001","7.9439","0.0006","90","","90","","90","","2511.2","0.3","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","(Tp*)CoS(2,6-Me2-Ph)","","","- C23 H31 B Co N6 S -","- C23 H31 B Co N6 S -","- C92 H124 B4 Co4 N24 S4 -","4","0.5","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.07","0.0468","","","0.0722","0.0737","","","","","","2.108","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129240","13.4295","0.0015","14.5619","0.0017","17.357","0.002","78.183","0.002","68.286","0.002","88.981","0.002","3080.4","0.6","295","","295","","","","","","","","","7","P -1","-P 1","2","BP3CoOSiPh3 295K","","","- C72 H65 B Co O P3 Si -","- C72 H65 B Co O P3 Si -","- C144 H130 B2 Co2 O2 P6 Si2 -","2","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.1288","0.0534","","","0.0738","0.0854","","","","","","1.063","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129241","11.087","0.002","15.273","0.003","19.948","0.004","90","","97.973","0.003","90","","3345.2","1.1","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(cyclo-P3)Mo(OCy)3(HN[i-Pr]Ar)","","","- C29 H50 Mo N O3 P3 -","- C29 H50 Mo N O3 P3 -","- C116 H200 Mo4 N4 O12 P12 -","4","1","","Stephens, Frances H.; Johnson, Marc J. A.; Cummins, Christopher C.; Kryatova, Olga P.; Kryatov, Sergey V.; Rybak-Akimova, Elena V; McDonough, J. Eric; Hoff, Carl D.","Mechanism of white phosphorus activation by three-coordinate molybdenum(III) complexes: a thermochemical, kinetic, and quantum chemical investigation.","Journal of the American Chemical Society","2005","127","43","15191","15200","10.1021/ja054253+","","","0.71073","MoKα","","0.058","0.0539","","","0.092","0.0932","","","","","","1.374","","","","has coordinates","240011","2020-10-21","18:00:00",""
"4129242","23.064","0.002","10.408","0.001","24.166","0.002","90","","104.88","0.002","90","","5606.5","0.9","293","2","293","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 Cl F3 N2 O3 P2 Pd Ru S -","- C58 H60 Cl F3 N2 O3 P2 Pd Ru S -","- C232 H240 Cl4 F12 N8 O12 P8 Pd4 Ru4 S4 -","4","1","","Zhu, Lei; Shabbir, Shagufta H.; Gray, Mark; Lynch, Vincent M.; Sorey, Steven; Anslyn, Eric V.","A structural investigation of the N-B interaction in an o-(N,N-dialkylaminomethyl)arylboronate system.","Journal of the American Chemical Society","2006","128","4","1222","1232","10.1021/ja055817c","","","0.71073","MoKα","","0.0935","0.0439","","","0.0949","0.1187","","","","","","1.014","","","","has coordinates","240012","2020-10-21","18:00:00",""
"4129243","16.2016","0.0017","8.6614","0.0009","17.9532","0.0019","90","","98.067","0.002","90","","2494.4","0.5","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl F3 N2 O3 Ru S -","- C22 H30 Cl F3 N2 O3 Ru S -","- C88 H120 Cl4 F12 N8 O12 Ru4 S4 -","4","1","","Zhu, Lei; Shabbir, Shagufta H.; Gray, Mark; Lynch, Vincent M.; Sorey, Steven; Anslyn, Eric V.","A structural investigation of the N-B interaction in an o-(N,N-dialkylaminomethyl)arylboronate system.","Journal of the American Chemical Society","2006","128","4","1222","1232","10.1021/ja055817c","","","0.71073","MoKα","","0.0301","0.0251","","","0.0633","0.0661","","","","","","1.045","","","","has coordinates","240013","2020-10-21","18:00:00",""
"4129244","11.2246","0.0004","13.3972","0.0004","20.0794","0.0006","72.726","0.001","74.475","0.001","86.383","0.002","2777.67","0.15","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N4 O6 -","- C30 H32 N4 O6 -","- C120 H128 N16 O24 -","4","2","","Nitsch, Dominik; Huber, Stefan M.; Pöthig, Alexander; Narayanan, Arjun; Olah, George A.; Prakash, G. K. Surya; Bach, Thorsten","Chiral propargylic cations as intermediates in SN1-type reactions: substitution pattern, nuclear magnetic resonance studies, and origin of the diastereoselectivity.","Journal of the American Chemical Society","2014","136","7","2851","2857","10.1021/ja411772n","","x-ray","0.71073","MoKα","","0.0404","0.0329","","","0.0799","0.0844","","","","","","1.012","","","","has coordinates","240014","2020-10-21","18:00:00",""
"4129245","10.3367","0.0003","11.7642","0.0003","12.4129","0.0009","91.596","0.007","111.824","0.008","96.479","0.007","1388.32","0.14","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Br N2 O5 -","- C27 H31 Br N2 O5 -","- C54 H62 Br2 N4 O10 -","2","1","","Mbofana, Curren T.; Miller, Scott J.","Diastereo- and enantioselective addition of anilide-functionalized allenoates to N-acylimines catalyzed by a pyridylalanine-based peptide.","Journal of the American Chemical Society","2014","136","8","3285","3292","10.1021/ja412996f","","","1.54178","CuKα","","0.0675","0.0602","","","0.1685","0.1782","","","","","","1.109","","","","has coordinates,has disorder","240016","2020-10-21","18:00:00",""
"4129246","20.2148","0.0012","15.337","0.0008","22.5133","0.0011","90","","107.266","0.002","90","","6665.4","0.6","100","2","100","2","","","","","","","see text","8","C 1 2/c 1","-C 2yc","15","","","","- C56 H76 Cu2 F6 N7 O6 P S2 -","- C56 H76 Cu2 F6 N7 O6 P S2 -","- C224 H304 Cu8 F24 N28 O24 P4 S8 -","4","0.5","","Dielmann, Fabian; Andrada, Diego M.; Frenking, Gernot; Bertrand, Guy","Isolation of bridging and terminal coinage metal-nitrene complexes.","Journal of the American Chemical Society","2014","136","10","3800","3802","10.1021/ja5007355","","x-ray","0.71073","MoKα","","0.0783","0.0666","","","0.2009","0.2104","","","","","","1.032","","","","has coordinates","240017","2020-10-21","18:00:00",""
"4129247","12.4071","0.0005","12.6841","0.0005","23.857","0.0009","98.235","0.002","98.559","0.002","106.927","0.002","3482","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","DF489","","- C64 H92 Ag2 F6 N7 O8 P S2 -","- C64 H92 Ag2 F6 N7 O8 P S2 -","- C128 H184 Ag4 F12 N14 O16 P2 S4 -","2","1","","Dielmann, Fabian; Andrada, Diego M.; Frenking, Gernot; Bertrand, Guy","Isolation of bridging and terminal coinage metal-nitrene complexes.","Journal of the American Chemical Society","2014","136","10","3800","3802","10.1021/ja5007355","","","0.71073","MoKα","","0.0563","0.0485","","","0.1315","0.1355","","","","","","1.057","","","","has coordinates","240017","2020-10-21","18:00:00",""
"4129248","20.6834","0.0012","25.1597","0.0016","24.6629","0.0012","90","","112.552","0.002","90","","11852.9","1.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C113 H160 Cu F3 N14 O4 P2 S -","- C113 H160 Cu F3 N14 O4 P2 S -","- C452 H640 Cu4 F12 N56 O16 P8 S4 -","4","1","","Dielmann, Fabian; Andrada, Diego M.; Frenking, Gernot; Bertrand, Guy","Isolation of bridging and terminal coinage metal-nitrene complexes.","Journal of the American Chemical Society","2014","136","10","3800","3802","10.1021/ja5007355","","","0.71073","MoKα","","0.1197","0.0763","","","0.2114","0.2316","","","","","","1.067","","","","has coordinates,has disorder","240017","2020-10-21","18:00:00",""
"4129249","20.956","0.002","25.095","0.003","24.505","0.003","90","","113.346","0.002","90","","11832","2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C117 H168 Ag F3 N14 O5 P2 S -","- C117 H168 Ag F3 N14 O5 P2 S -","- C468 H672 Ag4 F12 N56 O20 P8 S4 -","4","1","","Dielmann, Fabian; Andrada, Diego M.; Frenking, Gernot; Bertrand, Guy","Isolation of bridging and terminal coinage metal-nitrene complexes.","Journal of the American Chemical Society","2014","136","10","3800","3802","10.1021/ja5007355","","","0.71073","MoKα","","0.1024","0.0642","","","0.161","0.1759","","","","","","1.046","","","","has coordinates,has disorder","240017","2020-10-21","18:00:00",""
"4129250","26.442","0.006","13.697","0.003","9.715","0.002","90","","107.328","0.004","90","","3358.9","1.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","ubql14","","","- C17 H22 N2 O3.5 -","- C17 H22 N2 O3.5 -","- C136 H176 N16 O28 -","8","1","","Yu, Zhipeng; Lin, Qing","Design of spiro[2.3]hex-1-ene, a genetically encodable double-strained alkene for superfast photoclick chemistry.","Journal of the American Chemical Society","2014","136","11","4153","4156","10.1021/ja5012542","","","0.71073","MoKα","","0.112","0.0758","","","0.1954","0.2199","","","","","","1.032","","","","has coordinates,has disorder","240018","2020-10-21","18:00:00",""
"4129251","18.5189","0.0017","6.1174","0.0006","21.937","0.003","90","","95.7725","0.0014","90","","2472.6","0.5","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","ubql12","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C96 H104 N8 O40 -","8","1","","Yu, Zhipeng; Lin, Qing","Design of spiro[2.3]hex-1-ene, a genetically encodable double-strained alkene for superfast photoclick chemistry.","Journal of the American Chemical Society","2014","136","11","4153","4156","10.1021/ja5012542","","","0.71073","MoKα","","0.079","0.0445","","","0.102","0.1172","","","","","","1.021","","","","has coordinates,has disorder","240019","2020-10-21","18:00:00",""
"4129252","19.837","0.003","19.837","0.003","21.423","0.003","90","","90","","90","","8430","2","100","0.5","100","0.5","","","","","","","","4","P 42/n :2","-P 4bc","86","neima07","","","- C80 H110 Fe P2 -","- C80 H110 Fe P2 -","- C320 H440 Fe4 P8 -","4","0.5","","Daifuku, Stephanie L.; Al-Afyouni, Malik H; Snyder, Benjamin E. R.; Kneebone, Jared L.; Neidig, Michael L.","A combined Mössbauer, magnetic circular dichroism, and density functional theory approach for iron cross-coupling catalysis: electronic structure, in situ formation, and reactivity of iron-mesityl-bisphosphines.","Journal of the American Chemical Society","2014","136","25","9132","9143","10.1021/ja503596m","","","0.71073","MoKα","","0.0828","0.0613","","","0.1666","0.1845","","","","","","1.044","","","","has coordinates,has disorder","240020","2020-10-21","18:00:00",""
"4129253","17.196","0.002","23.437","0.003","19.421","0.002","90","","114.225","0.002","90","","7137.9","1.4","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","neijk24","","","- C75 H109 Cl Fe O P2 -","- C75 H109 Cl Fe O P2 -","- C300 H436 Cl4 Fe4 O4 P8 -","4","1","","Daifuku, Stephanie L.; Al-Afyouni, Malik H; Snyder, Benjamin E. R.; Kneebone, Jared L.; Neidig, Michael L.","A combined Mössbauer, magnetic circular dichroism, and density functional theory approach for iron cross-coupling catalysis: electronic structure, in situ formation, and reactivity of iron-mesityl-bisphosphines.","Journal of the American Chemical Society","2014","136","25","9132","9143","10.1021/ja503596m","","","0.71073","MoKα","","0.0993","0.0542","","","0.1266","0.1494","","","","","","1.011","","","","has coordinates,has disorder","240021","2020-10-21","18:00:00",""
"4129254","17.219","0.004","23.733","0.005","19.346","0.004","90","","113.739","0.004","90","","7237","3","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","neima06","","","- C75 H109 Br Fe O P2 -","- C75 H109 Br Fe O P2 -","- C300 H436 Br4 Fe4 O4 P8 -","4","1","","Daifuku, Stephanie L.; Al-Afyouni, Malik H; Snyder, Benjamin E. R.; Kneebone, Jared L.; Neidig, Michael L.","A combined Mössbauer, magnetic circular dichroism, and density functional theory approach for iron cross-coupling catalysis: electronic structure, in situ formation, and reactivity of iron-mesityl-bisphosphines.","Journal of the American Chemical Society","2014","136","25","9132","9143","10.1021/ja503596m","","","0.71073","MoKα","","0.1236","0.0601","","","0.1174","0.1408","","","","","","1.008","","","","has coordinates","240022","2020-10-21","18:00:00",""
"4129255","17.205","0.004","23.705","0.006","19.398","0.005","90","","113.906","0.005","90","","7233","3","100","0.5","100","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","neima05","","","- C75 H109 Br0.8 Cl0.2 Fe O P2 -","- C75 H109 Br0.796 Cl0.204 Fe O P2 -","- C300 H436 Br3.184 Cl0.816 Fe4 O4 P8 -","4","1","","Daifuku, Stephanie L.; Al-Afyouni, Malik H; Snyder, Benjamin E. R.; Kneebone, Jared L.; Neidig, Michael L.","A combined Mössbauer, magnetic circular dichroism, and density functional theory approach for iron cross-coupling catalysis: electronic structure, in situ formation, and reactivity of iron-mesityl-bisphosphines.","Journal of the American Chemical Society","2014","136","25","9132","9143","10.1021/ja503596m","","","0.71073","MoKα","","0.0951","0.0536","","","0.1186","0.1359","","","","","","1.019","","","","has coordinates,has disorder","240023","2020-10-21","18:00:00",""
"4129256","12.9284","0.0007","12.6055","0.0006","19.2797","0.0009","90","","100.02","0.002","90","","3094.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 Mo O3 P2 -","- C33 H40 Mo O3 P2 -","- C132 H160 Mo4 O12 P8 -","4","1","","Buss, Joshua A.; Edouard, Guy A.; Cheng, Christine; Shi, Jade; Agapie, Theodor","Molybdenum catalyzed ammonia borane dehydrogenation: oxidation state specific mechanisms.","Journal of the American Chemical Society","2014","136","32","11272","11275","10.1021/ja5059923","","","0.71073","MoKα","","0.04","0.0313","","","0.0531","0.0544","","","","","","1.631","","","","has coordinates","240024","2020-10-21","18:00:00",""
"4129257","12.7866","0.0006","16.4447","0.0007","17.5292","0.0007","90","","91.785","0.002","90","","3684.1","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 F6 Mo O8 P2 S2 -","- C34 H40 F6 Mo O8 P2 S2 -","- C136 H160 F24 Mo4 O32 P8 S8 -","4","1","","Buss, Joshua A.; Edouard, Guy A.; Cheng, Christine; Shi, Jade; Agapie, Theodor","Molybdenum catalyzed ammonia borane dehydrogenation: oxidation state specific mechanisms.","Journal of the American Chemical Society","2014","136","32","11272","11275","10.1021/ja5059923","","","0.71073","MoKα","","0.0619","0.0464","","","0.1251","0.1329","","","","","","1.13","","","","has coordinates","240024","2020-10-21","18:00:00",""
"4129258","32.0444","0.001","32.0444","0.001","21.1665","0.0009","90","","90","","120","","18822.8","1.2","100","","100","","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C36.67 H46 F6 Mo N2.33 O6 P2 S2 -","- C36.6667 H46.9999 F6 Mo N2.33333 O6 P2 S2 -","- C660 H845.998 F108 Mo18 N42 O108 P36 S36 -","18","1","","Buss, Joshua A.; Edouard, Guy A.; Cheng, Christine; Shi, Jade; Agapie, Theodor","Molybdenum catalyzed ammonia borane dehydrogenation: oxidation state specific mechanisms.","Journal of the American Chemical Society","2014","136","32","11272","11275","10.1021/ja5059923","","","0.71073","MoKα","","0.0487","0.0371","","","0.0855","0.0909","","","","","","1.056","","","","has coordinates","240024","2020-10-21","18:00:00",""
"4129259","8.9892","0.0003","23.8655","0.0007","12.7797","0.0004","90","","94.7145","0.0016","90","","2732.38","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Mo N2 P2 -","- C30 H40 Mo N2 P2 -","- C120 H160 Mo4 N8 P8 -","4","1","","Buss, Joshua A.; Edouard, Guy A.; Cheng, Christine; Shi, Jade; Agapie, Theodor","Molybdenum catalyzed ammonia borane dehydrogenation: oxidation state specific mechanisms.","Journal of the American Chemical Society","2014","136","32","11272","11275","10.1021/ja5059923","","","0.71073","MoKα","","0.0899","0.0492","","","0.0978","0.1151","","","","","","1.101","","","","has coordinates","240024","2020-10-21","18:00:00",""
"4129260","12.7883","0.0006","16.1757","0.0007","23.2443","0.001","90","","101.25","0.002","90","","4715.9","0.4","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H64 B Mo N P2 -","- C56 H64 B Mo N P2 -","- C224 H256 B4 Mo4 N4 P8 -","4","1","","Buss, Joshua A.; Edouard, Guy A.; Cheng, Christine; Shi, Jade; Agapie, Theodor","Molybdenum catalyzed ammonia borane dehydrogenation: oxidation state specific mechanisms.","Journal of the American Chemical Society","2014","136","32","11272","11275","10.1021/ja5059923","","","0.71073","MoKα","","0.1259","0.0731","","","0.1418","0.1777","","","","","","1.12","","","","has coordinates,has disorder","240024","2020-10-21","18:00:00",""
"4129261","11.1314","0.0005","17.1403","0.0008","26.9594","0.0012","90","","94.544","0.002","90","","5127.6","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H71 B Mo O P2 -","- C58 H71 B Mo O P2 -","- C232 H284 B4 Mo4 O4 P8 -","4","1","","Buss, Joshua A.; Edouard, Guy A.; Cheng, Christine; Shi, Jade; Agapie, Theodor","Molybdenum catalyzed ammonia borane dehydrogenation: oxidation state specific mechanisms.","Journal of the American Chemical Society","2014","136","32","11272","11275","10.1021/ja5059923","","","0.71073","MoKα","","0.0726","0.0448","","","0.1007","0.1118","","","","","","1.092","","","","has coordinates","240024","2020-10-21","18:00:00",""
"4129262","6.2426","0.0004","7.7345","0.0005","25.5322","0.0016","90","","90","","90","","1232.78","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 S -","- C13 H15 N O2 S -","- C52 H60 N4 O8 S4 -","4","1","","Hartung, John; Dornan, Peter K.; Grubbs, Robert H.","Enantioselective olefin metathesis with cyclometalated ruthenium complexes.","Journal of the American Chemical Society","2014","136","37","13029","13037","10.1021/ja506611k","","","0.71073","MoKα","","0.0314","0.0284","","","0.0729","0.0737","","","","","","1.528","","","","has coordinates","240025","2020-10-21","18:00:00",""
"4129263","10.303","0.0001","17.4632","0.0002","20.3423","0.0002","94.204","0.001","101.929","0.001","92.428","0.001","3565.17","0.07","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","Bis(acetonitrile)(μ^2^-buta-1,3-diyne-1,4-diyl)tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]diiron(2+) diiodide acetonitrile solvate (1:3)","","- C54 H111 Fe2 I2 N5 P8 -","- C54 H111 Fe2 I2 N5 P8 -","- C108 H222 Fe4 I4 N10 P16 -","2","1","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.036","0.0271","","","0.0716","0.0736","","","","","","1.065","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129264","14.0211","0.0004","26.5865","0.0007","17.9536","0.0006","90","","111.308","0.003","90","","6235.1","0.3","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(μ^2^-Buta-1,3-diyne-1,4-diyl){tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]}bis(nitrogen-κ<i>N</i>^1^)diiron(2+) bis{tetrakis[3,5-bis(trifluoromethyl)phenyl]borate(1-)}","","- C108 H120 B2 F48 Fe2 N4 P8 -","- C108 H120 B2 F48 Fe2 N4 P8 -","- C216 H240 B4 F96 Fe4 N8 P16 -","2","0.5","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.1134","0.0582","","","0.1487","0.1627","","","","","","0.896","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129265","29.5938","0.0006","10.0002","0.0001","21.104","0.0004","90","","116.945","0.002","90","","5567.59","0.19","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(μ^2^-Buta-1,3-diyne-1,4-diyl){tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]}diethynyldiiron","","- C48 H98 Fe2 P8 -","- C48 H98 Fe2 P8 -","- C192 H392 Fe8 P32 -","4","0.5","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.0544","0.0466","","","0.1417","0.1459","","","","","","1.055","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129266","19.0064","0.0003","18.7974","0.0004","19.7398","0.0003","90","","90.9394","0.0016","90","","7051.5","0.2","183","1","183","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H120 Fe2 P8 Sn2 -","- C60 H120 Fe2 P8 Sn2 -","- C240 H480 Fe8 P32 Sn8 -","4","1","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.0799","0.0647","","","0.1661","0.1769","","","","","","1.088","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129267","10.0294","0.0007","19.4329","0.0007","18.4637","0.001","90","","96.994","0.005","90","","3571.8","0.3","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(μ^2^-Buta-1,3-diyne-1,4-diyl){tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]}bis(selenocyanato-κ<i>N</i>)diiron benzene solvate (1:2)","","- C64 H114 Fe2 N2 P8 Se2 -","- C64 H114 Fe2 N2 P8 Se2 -","- C128 H228 Fe4 N4 P16 Se4 -","2","0.5","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.0999","0.0628","","","0.1413","0.1682","","","","","","1.059","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129268","18.9951","0.0016","15.3883","0.0008","20.0151","0.0013","90","","90","","90","","5850.5","0.7","183","2","183","2","","","","","","","","6","C m c e","-C 2ac 2","64","","(μ^2^-Buta-1,3-diyne-1,4-diyl){tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]}bis(thiocyanato-κ<i>N</i>)diiron","","- C46 H104 Fe2 N2 P8 S2 -","- C46 H104 Fe2 N2 P8 S2 -","- C184 H416 Fe8 N8 P32 S8 -","4","0.25","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.099","0.0667","","","0.1588","0.1779","","","","","","1.043","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129269","21.0545","0.0007","10.0187","0.0003","26.9455","0.0009","90","","107.922","0.004","90","","5408","0.3","183","2","183","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","(μ^2^-Buta-1,3-diyne-1,4-diyl)[bis(cyano-κ<i>C</i>)]tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]diiron","","- C46 H96 Fe2 N2 P8 -","- C46 H96 Fe2 N2 P8 -","- C184 H384 Fe8 N8 P32 -","4","0.5","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.0641","0.0556","","","0.1516","0.1596","","","","","","1.037","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129270","14.19","0.0011","19.2827","0.0012","20.1632","0.0015","90","","104.209","0.008","90","","5348.3","0.7","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(μ^2^-Buta-1,3-diyne-1,4-diyl){tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]}disulfanyldiiron","","- C44 H98 Fe2 P8 S2 -","- C44 H98 Fe2 P8 S2 -","- C176 H392 Fe8 P32 S8 -","4","0.5","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.1019","0.0537","","","0.1202","0.1467","","","","","","1.019","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129271","20.9315","0.0003","10.0246","0.0001","27.2939","0.0004","90","","108.157","0.002","90","","5441.9","0.14","183","2","183","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(μ^2^-Buta-1,3-diyne-1,4-diyl){tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]}dinitrodiiron","","- C44 H96 Fe2 N2 O4 P8 -","- C44 H96 Fe2 N2 O4 P8 -","- C176 H384 Fe8 N8 O16 P32 -","4","0.5","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.0375","0.033","","","0.083","0.086","","","","","","1.033","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129272","8.5759","0.0012","10.6357","0.0014","12.1368","0.0017","105.6","0.004","103.735","0.004","101.856","0.004","991.9","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Cl6 Cu2 N2 P2 -","- C38 H36 Cl6 Cu2 N2 P2 -","- C38 H36 Cl6 Cu2 N2 P2 -","1","0.5","","Hofbeck, Thomas; Monkowius, Uwe; Yersin, Hartmut","Highly efficient luminescence of Cu(I) compounds: thermally activated delayed fluorescence combined with short-lived phosphorescence.","Journal of the American Chemical Society","2015","137","1","399","404","10.1021/ja5109672","","","0.71073","MoKα","","0.0421","0.0325","","","0.0812","0.0865","","","","","","1.047","","","","has coordinates","240027","2020-10-21","18:00:00",""
"4129273","17.7467","0.0005","10.0959","0.0002","43.4589","0.0005","90","","90","","90","","7786.5","0.3","123","","123","","","","","","","","see text","6","C 2 2 21","C 2c 2","20","","","","- C36 H32 Cu2 I2 N2 P2 -","- C36 H32 Cu2 I2 N2 P2 -","- C288 H256 Cu16 I16 N16 P16 -","8","1","","Hofbeck, Thomas; Monkowius, Uwe; Yersin, Hartmut","Highly efficient luminescence of Cu(I) compounds: thermally activated delayed fluorescence combined with short-lived phosphorescence.","Journal of the American Chemical Society","2015","137","1","399","404","10.1021/ja5109672","","x-ray","1.54184","CuKα","","0.0597","0.056","","","0.1396","0.1407","","","","","","1.054","","","","has coordinates","240028","2020-10-21","18:00:00",""
"4129274","9.9441","0.0002","9.9441","0.0002","64.373","0.0015","90","","90","","120","","5512.7","0.2","293","","293","","","","","","","","see text","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C37 H34 Br2 Cl2 Cu2 N2 P2 -","- C37 H34 Br2 Cl2 Cu2 N2 P2 -","- C222 H204 Br12 Cl12 Cu12 N12 P12 -","6","0.5","","Hofbeck, Thomas; Monkowius, Uwe; Yersin, Hartmut","Highly efficient luminescence of Cu(I) compounds: thermally activated delayed fluorescence combined with short-lived phosphorescence.","Journal of the American Chemical Society","2015","137","1","399","404","10.1021/ja5109672","","x-ray","1.54184","CuKα","","0.0486","0.0468","","","0.1054","0.1064","","","","","","1.059","","","","has coordinates","240029","2020-10-21","18:00:00",""
"4129275","15.7607","0.0008","16.9627","0.0009","18.2945","0.001","90","","90","","90","","4890.9","0.4","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H39 Cu2 F6 N6 O10.5 S2 -","- C48 H38 Cu2 F6 N6 O10.5 S2 -","- C192 H152 Cu8 F24 N24 O42 S8 -","4","1","","Nakajima, Kazunari; Shibata, Masashi; Nishibayashi, Yoshiaki","Copper-catalyzed enantioselective propargylic etherification of propargylic esters with alcohols.","Journal of the American Chemical Society","2015","137","7","2472","2475","10.1021/jacs.5b00004","","","0.71075","MoKα","","","0.1089","","","","0.1899","","","","","","1","","","","has coordinates","240030","2020-10-21","18:00:00",""
"4129276","4.608","0.012","10.41","0.03","27.47","0.07","90","","90","","90","","1318","6","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br O -","- C16 H13 Br O -","- C64 H52 Br4 O4 -","4","1","","Nakajima, Kazunari; Shibata, Masashi; Nishibayashi, Yoshiaki","Copper-catalyzed enantioselective propargylic etherification of propargylic esters with alcohols.","Journal of the American Chemical Society","2015","137","7","2472","2475","10.1021/jacs.5b00004","","","0.71075","MoKα","","","0.0289","","","","0.0669","","","","","","1","","","","has coordinates","240031","2020-10-21","18:00:00",""
"4129277","25.005","0.003","5.7568","0.0007","10.8764","0.0013","90","","90.027","0.002","90","","1565.6","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H19 F2 O4 P -","- C14 H19 F2 O4 P -","- C56 H76 F8 O16 P4 -","4","1","","Panigrahi, Kaushik; Applegate, Gregory A.; Malik, Guillaume; Berkowitz, David B.","Combining a Clostridial enzyme exhibiting unusual active site plasticity with a remarkably facile sigmatropic rearrangement: rapid, stereocontrolled entry into densely functionalized fluorinated phosphonates for chemical biology.","Journal of the American Chemical Society","2015","137","10","3600","3609","10.1021/jacs.5b00022","","","0.71073","MoKα","","0.0406","0.0373","","","0.0917","0.094","","","","","","0.988","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4129278","5.4421","0.0007","9.7834","0.0013","26.672","0.003","90","","90","","90","","1420.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 F2 O5 P -","- C12 H17 F2 O5 P -","- C48 H68 F8 O20 P4 -","4","1","","Panigrahi, Kaushik; Applegate, Gregory A.; Malik, Guillaume; Berkowitz, David B.","Combining a Clostridial enzyme exhibiting unusual active site plasticity with a remarkably facile sigmatropic rearrangement: rapid, stereocontrolled entry into densely functionalized fluorinated phosphonates for chemical biology.","Journal of the American Chemical Society","2015","137","10","3600","3609","10.1021/jacs.5b00022","","","0.71073","MoKα","","0.0261","0.0254","","","0.0682","0.0688","","","","","","0.991","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4129279","25.402","0.004","25.402","0.004","25.402","0.004","90","","90","","90","","16391","4","296","2","296","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C132 H96 N6 O16 Zr3 -","- C132 H87 N6 O16 Zr3 -","- C264 H174 N12 O32 Zr6 -","2","0.0416667","","Lin, Qipu; Bu, Xianhui; Kong, Aiguo; Mao, Chengyu; Zhao, Xiang; Bu, Fei; Feng, Pingyun","New heterometallic zirconium metalloporphyrin frameworks and their heteroatom-activated high-surface-area carbon derivatives.","Journal of the American Chemical Society","2015","137","6","2235","2238","10.1021/jacs.5b00076","","","0.71073","MoKα","","0.1385","0.0817","","","0.2083","0.2503","","","","","","1.042","","","","has coordinates,has disorder","240034","2020-10-21","18:00:00",""
"4129280","25.4084","0.0008","25.4084","0.0008","25.4084","0.0008","90","","90","","90","","16403.3","0.9","296","2","296","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C264 H168 N12 O38 Zn3 Zr6 -","- C264 H168 N12 O38 Zn3 Zr6 -","- C264 H168 N12 O38 Zn3 Zr6 -","1","0.0208333","","Lin, Qipu; Bu, Xianhui; Kong, Aiguo; Mao, Chengyu; Zhao, Xiang; Bu, Fei; Feng, Pingyun","New heterometallic zirconium metalloporphyrin frameworks and their heteroatom-activated high-surface-area carbon derivatives.","Journal of the American Chemical Society","2015","137","6","2235","2238","10.1021/jacs.5b00076","","","0.71073","MoKα","","0.1451","0.1012","","","0.2521","0.298","","","","","","1.086","","","","has coordinates","240034","2020-10-21","18:00:00",""
"4129281","25.3669","0.001","25.3669","0.001","25.3669","0.001","90","","90","","90","","16323.1","1.1","296","2","296","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C264 H168 Co3 N12 O38 Zr6 -","- C264 H168 Co3 N12 O38 Zr6 -","- C264 H168 Co3 N12 O38 Zr6 -","1","0.0208333","","Lin, Qipu; Bu, Xianhui; Kong, Aiguo; Mao, Chengyu; Zhao, Xiang; Bu, Fei; Feng, Pingyun","New heterometallic zirconium metalloporphyrin frameworks and their heteroatom-activated high-surface-area carbon derivatives.","Journal of the American Chemical Society","2015","137","6","2235","2238","10.1021/jacs.5b00076","","","0.71073","MoKα","","0.116","0.0768","","","0.2205","0.2581","","","","","","1.019","","","","has coordinates","240034","2020-10-21","18:00:00",""
"4129282","25.4287","0.0002","25.4287","0.0002","25.4287","0.0002","90","","90","","90","","16442.7","0.2","296","2","296","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C264 H168 Cl3 Fe3 N12 O32 Zr6 -","- C264 H168 Cl3 Fe3 N12 O32 Zr6 -","- C264 H168 Cl3 Fe3 N12 O32 Zr6 -","1","0.0208333","","Lin, Qipu; Bu, Xianhui; Kong, Aiguo; Mao, Chengyu; Zhao, Xiang; Bu, Fei; Feng, Pingyun","New heterometallic zirconium metalloporphyrin frameworks and their heteroatom-activated high-surface-area carbon derivatives.","Journal of the American Chemical Society","2015","137","6","2235","2238","10.1021/jacs.5b00076","","","0.71073","MoKα","","0.1024","0.087","","","0.2466","0.2713","","","","","","1.061","","","","has coordinates","240034","2020-10-21","18:00:00",""
"4129283","23.1573","0.0013","8.7306","0.0006","10.1458","0.0007","90","","92.893","0.004","90","","2048.6","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","KC-CN-anti-26","","","- C44 H54 N2 O10 -","- C44 H54 N2 O10 -","- C88 H108 N4 O20 -","2","0.5","","Nicolaou, K. C.; Nilewski, Christian; Hale, Christopher R. H.; Ahles, Christopher F.; Chiu, Chiao An; Ebner, Christian; ElMarrouni, Abdelatif; Yang, Lifeng; Stiles, Katherine; Nagrath, Deepak","Synthesis and biological evaluation of dimeric furanoid macroheterocycles: discovery of new anticancer agents.","Journal of the American Chemical Society","2015","137","14","4766","4770","10.1021/jacs.5b00141","","","1.54178","CuKα","","0.0517","0.0387","","","0.1031","0.1145","","","","","","1.028","","","","has coordinates","240035","2020-10-21","18:00:00",""
"4129284","15.2219","0.0008","7.3672","0.0003","20.4067","0.0009","90","","90","","90","","2288.46","0.18","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5b","","","- C11 H9 N3 O5 -","- C11 H9 N3 O5 -","- C88 H72 N24 O40 -","8","1","","Do, Jean-Louis; Mottillo, Cristina; Tan, Davin; Štrukil, Vjekoslav; Friščić, Tomislav","Mechanochemical ruthenium-catalyzed olefin metathesis.","Journal of the American Chemical Society","2015","137","7","2476","2479","10.1021/jacs.5b00151","","","0.71073","MoKα","","0.0445","0.0384","","","0.0986","0.1042","","","","","","1.05","","","","has coordinates","240036","2020-10-21","18:00:00",""
"4129285","8.7977","0.0005","7.8194","0.0005","15.8743","0.001","90","","97.043","0.001","90","","1083.8","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6b","","","- C10 H10 N2 O4 S -","- C10 H10 N2 O4 S -","- C40 H40 N8 O16 S4 -","4","1","","Do, Jean-Louis; Mottillo, Cristina; Tan, Davin; Štrukil, Vjekoslav; Friščić, Tomislav","Mechanochemical ruthenium-catalyzed olefin metathesis.","Journal of the American Chemical Society","2015","137","7","2476","2479","10.1021/jacs.5b00151","","","0.71073","MoKα","","0.0413","0.0332","","","0.0877","0.0934","","","","","","1.053","","","","has coordinates","240036","2020-10-21","18:00:00",""
"4129286","9.3929","0.0006","6.9352","0.0005","21.3856","0.0014","90","","90.526","0.001","90","","1393.03","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O5 -","- C13 H13 N3 O5 -","- C52 H52 N12 O20 -","4","1","","Do, Jean-Louis; Mottillo, Cristina; Tan, Davin; Štrukil, Vjekoslav; Friščić, Tomislav","Mechanochemical ruthenium-catalyzed olefin metathesis.","Journal of the American Chemical Society","2015","137","7","2476","2479","10.1021/jacs.5b00151","","","0.71073","MoKα","","0.0523","0.0372","","","0.0925","0.1032","","","","","","1.023","","","","has coordinates","240036","2020-10-21","18:00:00",""
"4129287","12.5462","0.001","13.8742","0.0012","17.3057","0.0012","90","","92.979","0.006","90","","3008.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 N O8 P Pd S -","- C29 H38 N O8 P Pd S -","- C116 H152 N4 O32 P4 Pd4 S4 -","4","1","","Jian, Zhongbao; Baier, Moritz C.; Mecking, Stefan","Suppression of chain transfer in catalytic acrylate polymerization via rapid and selective secondary insertion.","Journal of the American Chemical Society","2015","137","8","2836","2839","10.1021/jacs.5b00179","","","0.71073","MoKα","","0.0642","0.0459","","","0.1117","0.1191","","","","","","0.991","","","","has coordinates","240037","2020-10-21","18:00:00",""
"4129288","15.6234","0.0014","13.435","0.0008","16.2967","0.0012","90","","93.679","0.007","90","","3413.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 N O9 P Pd S -","- C33 H42 N O9 P Pd S -","- C132 H168 N4 O36 P4 Pd4 S4 -","4","1","","Jian, Zhongbao; Baier, Moritz C.; Mecking, Stefan","Suppression of chain transfer in catalytic acrylate polymerization via rapid and selective secondary insertion.","Journal of the American Chemical Society","2015","137","8","2836","2839","10.1021/jacs.5b00179","","","0.71073","MoKα","","0.0689","0.0436","","","0.0899","0.0969","","","","","","0.925","","","","has coordinates","240037","2020-10-21","18:00:00",""
"4129289","25.3175","0.0018","12.1322","0.0008","19.9435","0.0014","90","","121.435","0.001","90","","5226.7","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 F12 N3 O S -","- C24 H19 F12 N3 O S -","- C192 H152 F96 N24 O8 S8 -","8","1","","Mittal, Nisha; Lippert, Katharina M.; De, Chandra Kanta; Klauber, Eric G.; Emge, Thomas J.; Schreiner, Peter R.; Seidel, Daniel","A Dual-Catalysis Anion-Binding Approach to the Kinetic Resolution of Amines: Insights into the Mechanism via a Combined Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","17","5748","5758","10.1021/jacs.5b00190","","","0.71073","MoKα","","0.0548","0.0474","","","0.1217","0.1276","","","","","","1.004","","","","has coordinates","240038","2020-10-21","18:00:00",""
"4129290","8.567","0.002","14.302","0.005","14.504","0.003","86.129","0.014","83.022","0.011","77.121","0.014","1718.1","0.8","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C61 H61 F24 N9 O2 S4 -","- C61 H61 F24 N9 O2 S4 -","- C61 H61 F24 N9 O2 S4 -","1","1","","Mittal, Nisha; Lippert, Katharina M.; De, Chandra Kanta; Klauber, Eric G.; Emge, Thomas J.; Schreiner, Peter R.; Seidel, Daniel","A Dual-Catalysis Anion-Binding Approach to the Kinetic Resolution of Amines: Insights into the Mechanism via a Combined Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","17","5748","5758","10.1021/jacs.5b00190","","","0.71073","MoKα","","0.0709","0.0598","","","0.1385","0.1442","","","","","","1.071","","","","has coordinates","240039","2020-10-21","18:00:00",""
"4129291","25.2209","0.0005","15.1985","0.0003","19.9181","0.0004","90","","94.772","0.002","90","","7608.5","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12",";Sc3N@C2v(39718)-C82/Ni(OEP)/2benzene;","","","- C130.75 H56 N5 Ni Sc3 -","- C130.74 H56 N5 Ni Sc3 -","- C522.96 H224 N20 Ni4 Sc12 -","4","0.5","","Wei, Tao; Wang, Song; Liu, Fupin; Tan, Yuanzhi; Zhu, Xianjun; Xie, Suyuan; Yang, Shangfeng","Capturing the long-sought small-bandgap endohedral fullerene Sc3N@C82 with low kinetic stability.","Journal of the American Chemical Society","2015","137","8","3119","3123","10.1021/jacs.5b00199","","","1.54178","CuKα","","0.0769","0.0721","","","0.1983","0.2034","","","","","","0.937","","","","has coordinates,has disorder","240040","2020-10-21","18:00:00",""
"4129292","8.385","0.0009","5.7634","0.0006","11.4508","0.0011","90","","104.014","0.003","90","","536.9","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 Br O2 S -","- C10 H11 Br O2 S -","- C20 H22 Br2 O4 S2 -","2","1","","Lim, Kelvin Meng-Hui; Hayashi, Tamio","Rhodium-catalyzed asymmetric arylation of allyl sulfones under the conditions of isomerization into alkenyl sulfones.","Journal of the American Chemical Society","2015","137","9","3201","3204","10.1021/jacs.5b00216","","","0.71073","MoKα","","0.0381","0.0368","","","0.1083","0.1089","","","","","","1.463","","","","has coordinates","240041","2020-10-21","18:00:00",""
"4129293","13.862","0.003","14.0765","0.0015","15.5813","0.0016","111.051","0.001","103.129","0.002","103.273","0.002","2596.3","0.7","120","2","120","2","","","","","","","","3","P -1","-P 1","2","1","","","- C112 H148 S8 -","- C112 H148 S8 -","- C112 H148 S8 -","1","0.5","","Shimizu, Hideyuki; Cojal González, José D; Hasegawa, Masashi; Nishinaga, Tohru; Haque, Tahmina; Takase, Masayoshi; Otani, Hiroyuki; Rabe, Jürgen P; Iyoda, Masahiko","Synthesis, structures, and photophysical properties of π-expanded oligothiophene 8-mers and their Saturn-like C₆₀ complexes.","Journal of the American Chemical Society","2015","137","11","3877","3885","10.1021/jacs.5b00291","","","0.71073","MoKα","","0.1144","0.0747","","","0.1987","0.2343","","","","","","1.012","","","","has coordinates","240042","2020-10-21","18:00:00",""
"4129294","13.974","0.002","14.476","0.003","15.636","0.003","111.929","0.002","102.116","0.002","106.974","0.002","2618.7","0.8","173","2","173","2","","","","","","","","3","P -1","-P 1","2","1","","","- C112 H144 S8 -","- C112 H144 S8 -","- C112 H144 S8 -","1","0.5","","Shimizu, Hideyuki; Cojal González, José D; Hasegawa, Masashi; Nishinaga, Tohru; Haque, Tahmina; Takase, Masayoshi; Otani, Hiroyuki; Rabe, Jürgen P; Iyoda, Masahiko","Synthesis, structures, and photophysical properties of π-expanded oligothiophene 8-mers and their Saturn-like C₆₀ complexes.","Journal of the American Chemical Society","2015","137","11","3877","3885","10.1021/jacs.5b00291","","","0.71073","MoKα","","0.0967","0.0686","","","0.1555","0.179","","","","","","1.037","","","","has coordinates","240043","2020-10-21","18:00:00",""
"4129295","18.307","0.002","27.919","0.004","25.686","0.003","90","","96.475","0.002","90","","13045","3","108","2","108","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1_C60","","","- C172 H148 S8 -","- C172 H148 S8 -","- C688 H592 S32 -","4","1","","Shimizu, Hideyuki; Cojal González, José D; Hasegawa, Masashi; Nishinaga, Tohru; Haque, Tahmina; Takase, Masayoshi; Otani, Hiroyuki; Rabe, Jürgen P; Iyoda, Masahiko","Synthesis, structures, and photophysical properties of π-expanded oligothiophene 8-mers and their Saturn-like C₆₀ complexes.","Journal of the American Chemical Society","2015","137","11","3877","3885","10.1021/jacs.5b00291","","","0.71073","MoKα","","0.1323","0.0635","","","0.1575","0.2181","","","","","","1.051","","","","has coordinates,has disorder","240044","2020-10-21","18:00:00",""
"4129296","17.654","0.005","17.88","0.005","35.319","0.01","80.634","0.003","77.456","0.003","61.448","0.003","9536","5","108","2","108","2","","","","","","","","3","P -1","-P 1","2","2_c60","","","- C172 H144 S8 -","- C172 H144 S8 -","- C516 H432 S24 -","3","1.5","","Shimizu, Hideyuki; Cojal González, José D; Hasegawa, Masashi; Nishinaga, Tohru; Haque, Tahmina; Takase, Masayoshi; Otani, Hiroyuki; Rabe, Jürgen P; Iyoda, Masahiko","Synthesis, structures, and photophysical properties of π-expanded oligothiophene 8-mers and their Saturn-like C₆₀ complexes.","Journal of the American Chemical Society","2015","137","11","3877","3885","10.1021/jacs.5b00291","","","0.71073","MoKα","","0.2128","0.1137","","","0.2811","0.353","","","","","","1.02","","","","has coordinates","240045","2020-10-21","18:00:00",""
"4129297","17.262","0.0004","14.7551","0.0004","10.0083","0.0002","90","","92.0691","0.0007","90","","2547.48","0.1","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H76 N4 O12 Si4 -","- C36 H76 N4 O12 Si4 -","- C72 H152 N8 O24 Si8 -","2","0.5","","Kinoshita, Shota; Watase, Seiji; Matsukawa, Kimihiro; Kaneko, Yoshiro","Selective Synthesis of cis-trans-cis Cyclic Tetrasiloxanes and the Formation of Their Two-Dimensional Layered Aggregates.","Journal of the American Chemical Society","2015","137","15","5061","5065","10.1021/jacs.5b00319","","","0.71075","MoKα","","","0.0834","","","","0.2491","","","","","","1.346","","","","has coordinates","240046","2020-10-21","18:00:00",""
"4129298","29.9525","0.0003","29.9525","0.0003","29.9525","0.0003","90","","90","","90","","26872","0.5","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C59 H42 O13 Zn4 -","- C59 H42 O13 Zn4 -","- C354 H252 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.0315","0.0292","","","0.0771","0.0797","","","","","","1.068","","","","has coordinates","240048","2020-10-21","18:00:00",""
"4129299","29.9508","0.0005","29.9508","0.0005","29.9508","0.0005","90","","90","","90","","26867.4","0.8","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C67 H58 O13 Zn4 -","- C67 H58 O13 Zn4 -","- C402 H348 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.05","0.0441","","","0.108","0.1114","","","","","","1.096","","","","has coordinates","240048","2020-10-21","18:00:00",""
"4129300","29.9363","0.0005","29.9363","0.0005","29.9363","0.0005","90","","90","","90","","26828.4","0.8","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C83 H90 O13 Zn4 -","- C83 H90 O13 Zn4 -","- C498 H540 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.0404","0.0389","","","0.1145","0.1157","","","","","","1.096","","","","has coordinates,has disorder","240048","2020-10-21","18:00:00",""
"4129301","29.8614","0.0005","29.8614","0.0005","29.8614","0.0005","90","","90","","90","","26627.5","0.8","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C99 H122 O13 Zn4 -","- C75 H74 O13 Zn4 -","- C450 H444 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.0921","0.0786","","","0.248","0.2602","","","","","","1.069","","","","has coordinates","240048","2020-10-21","18:00:00",""
"4129302","29.8116","0.0015","29.8116","0.0015","29.8116","0.0015","90","","90","","90","","26495","2","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C115 H154 O13 Zn4 -","- C75 H74 O13 Zn4 -","- C450 H444 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.0964","0.0803","","","0.2579","0.2756","","","","","","1.104","","","","has coordinates","240048","2020-10-21","18:00:00",""
"4129303","29.8062","0.0003","29.8062","0.0003","29.8062","0.0003","90","","90","","90","","26480.1","0.5","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C131 H186 O13 Zn4 -","- C75 H74 O13 Zn4 -","- C450 H444 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.1171","0.1115","","","0.3743","0.3777","","","","","","1.096","","","","has coordinates","240048","2020-10-21","18:00:00",""
"4129304","11.1927","0.0002","15.03","0.0003","22.5983","0.0016","100.2","0.007","101.975","0.007","96.601","0.007","3614.4","0.3","143","2","143","2","","","","","","","","3","P -1","-P 1","2","","","","- C81 H120 O3 -","- C81 H120 O3 -","- C162 H240 O6 -","2","1","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.1093","0.0856","","","0.2505","0.302","","","","","","1.168","","","","has coordinates,has disorder","240049","2020-10-21","18:00:00",""
"4129305","14.1037","0.0005","17.4186","0.0006","17.501","0.0006","75.039","0.002","66.871","0.002","80.176","0.002","3808.2","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Tetrahexoxyl-C70H26","","","- C94 H78 O6 -","- C94 H74 O6 -","- C188 H148 O12 -","2","1","","Cheung, Kwan Yin; Xu, Xiaomin; Miao, Qian","Aromatic saddles containing two heptagons.","Journal of the American Chemical Society","2015","137","11","3910","3914","10.1021/jacs.5b00403","","","0.71073","MoKα","","0.1595","0.1161","","","0.3338","0.3762","","","","","","1.439","","","","has coordinates,has disorder","240050","2020-10-21","18:00:00",""
"4129306","14.5474","0.0005","16.138","0.0005","17.4588","0.0005","99.277","0.001","101.011","0.001","108.048","0.001","3717.1","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Tetrahexoxyl-C70H30","","","- C94 H78 O4 -","- C94 H78 O4 -","- C188 H156 O8 -","2","1","","Cheung, Kwan Yin; Xu, Xiaomin; Miao, Qian","Aromatic saddles containing two heptagons.","Journal of the American Chemical Society","2015","137","11","3910","3914","10.1021/jacs.5b00403","","","1.54178","CuKα","","0.0753","0.0659","","","0.1899","0.1976","","","","","","1.047","","","","has coordinates,has disorder","240051","2020-10-21","18:00:00",""
"4129307","12.0338","0.0008","15.7225","0.0011","16.3451","0.0012","62.311","0.001","88.656","0.001","77.794","0.001","2666.5","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","tetrahexyloxy bitropone-embedded HBC","","","- C68 H66 O6 -","- C68 H66 O6 -","- C68 H66 O6 -","1","0.5","","Cheung, Kwan Yin; Xu, Xiaomin; Miao, Qian","Aromatic saddles containing two heptagons.","Journal of the American Chemical Society","2015","137","11","3910","3914","10.1021/jacs.5b00403","","","0.71073","MoKα","","0.1275","0.0772","","","0.1908","0.2298","","","","","","1.041","","","","has coordinates,has disorder","240052","2020-10-21","18:00:00",""
"4129308","12.6749","0.001","6.1713","0.0005","13.4149","0.0011","90","","90.8147","0.0012","90","","1049.22","0.15","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 Br4 O3 -","- C8 Br4 O3 -","- C32 Br16 O12 -","4","1","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0244","0.0214","","","0.0533","0.0547","","","","","","1.04","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129309","12.5164","0.0009","6.0894","0.0004","13.3977","0.001","90","","90.122","0.0011","90","","1021.14","0.13","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 Br4 O3 -","- C8 Br4 O3 -","- C32 Br16 O12 -","4","1","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0186","0.0173","","","0.0422","0.0426","","","","","","1.136","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129310","9.1304","0.0008","13.7261","0.0012","9.4089","0.0008","90","","118.597","0.0011","90","","1035.32","0.16","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C20 H18 Br4 O3 -","- C20 H18 Br4 O3 -","- C40 H36 Br8 O6 -","2","0.5","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.032","0.0264","","","0.0624","0.0651","","","","","","1.038","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129311","9.0493","0.0007","13.3796","0.001","9.3465","0.0007","90","","118.359","0.0009","90","","995.83","0.13","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C20 H18 Br4 O3 -","- C20 H18 Br4 O3 -","- C40 H36 Br8 O6 -","2","0.5","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0163","0.015","","","0.0391","0.0396","","","","","","1.076","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129312","7.954","0.0007","9.5826","0.0008","16.2147","0.0014","90","","89.148","0.001","90","","1235.75","0.18","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H12 Br4 O3 -","- C32 H12 Br4 O3 -","- C64 H24 Br8 O6 -","2","0.5","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0535","0.0404","","","0.1082","0.1173","","","","","","1.039","","","","has coordinates,has disorder","240053","2020-10-21","18:00:00",""
"4129313","7.8361","0.0005","9.6699","0.0007","15.7801","0.0011","90","","90.242","0.001","90","","1195.72","0.14","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H12 Br4 O3 -","- C32 H12 Br4 O3 -","- C64 H24 Br8 O6 -","2","0.5","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.02","0.0184","","","0.0477","0.0484","","","","","","1.047","","","","has coordinates,has disorder","240053","2020-10-21","18:00:00",""
"4129314","7.7233","0.0003","9.1834","0.0003","9.1909","0.0003","66.702","0.001","84.439","0.001","73.064","0.001","572.63","0.03","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","1","0.5","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0539","0.0494","","","0.1518","0.1558","","","","","","1.09","","","","has coordinates,has disorder","240053","2020-10-21","18:00:00",""
"4129315","10.0091","0.0008","10.0755","0.0008","12.5454","0.001","85.0856","0.0013","73.6923","0.0012","69.0129","0.0012","1133.55","0.16","265","","265","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","- C56 H24 Br8 O6 -","2","1","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0389","0.0318","","","0.0879","0.0912","","","","","","1.065","","","","has coordinates,has disorder","240053","2020-10-21","18:00:00",""
"4129316","9.9896","0.0009","10.0635","0.0009","12.5388","0.0011","85.316","0.001","73.85","0.001","69.027","0.001","1130.34","0.17","240","","240","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","- C56 H24 Br8 O6 -","2","1","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0332","0.0278","","","0.0738","0.0765","","","","","","1.033","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129317","9.9647","0.0008","10.0419","0.0009","12.5208","0.0011","85.4641","0.0013","73.8886","0.0012","68.957","0.0012","1123.11","0.17","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","- C56 H24 Br8 O6 -","2","1","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0253","0.022","","","0.0564","0.0579","","","","","","1.055","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129318","9.9226","0.0008","9.9944","0.0008","12.4828","0.001","85.74","0.0011","73.833","0.0011","68.815","0.0011","1108.14","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","- C56 H24 Br8 O6 -","2","1","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0198","0.0187","","","0.048","0.0484","","","","","","1.07","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129319","25.9989","0.0015","25.9989","0.0015","42.656","0.003","90","","90","","120","","24970","3","100","2","99.65","","","","","","","","","6","P 63/m c m","-P 6c 2","193","","","","- C261 H195 F6 N12 O168 Y27 -","- C261 H195 F6 N12 O167.1 Y27 -","- C522 H390 F12 N24 O334.2 Y54 -","2","0.0833333","","Alezi, Dalal; Peedikakkal, Abdul Malik P.; Weseliński, Łukasz J; Guillerm, Vincent; Belmabkhout, Youssef; Cairns, Amy J.; Chen, Zhijie; Wojtas, Łukasz; Eddaoudi, Mohamed","Quest for highly connected metal-organic framework platforms: rare-earth polynuclear clusters versatility meets net topology needs.","Journal of the American Chemical Society","2015","137","16","5421","5430","10.1021/jacs.5b00450","","","1.54178","CuKα","","0.0816","0.073","","","0.2067","0.217","","","","","","1.124","","","","has coordinates,has disorder","240054","2020-10-21","18:00:00",""
"4129320","29.3518","0.0016","29.3518","0.0016","21.1634","0.0016","90","","90","","120","","15790.1","1.7","100","2","100.15","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C316 H220 F4 N24 O203.27 Y30.68 -","- C316.006 H220.001 F3.9984 N24 O207.77 Y30.6766 -","- C316.006 H220.001 F3.9984 N24 O207.77 Y30.6766 -","1","0.0416667","","Alezi, Dalal; Peedikakkal, Abdul Malik P.; Weseliński, Łukasz J; Guillerm, Vincent; Belmabkhout, Youssef; Cairns, Amy J.; Chen, Zhijie; Wojtas, Łukasz; Eddaoudi, Mohamed","Quest for highly connected metal-organic framework platforms: rare-earth polynuclear clusters versatility meets net topology needs.","Journal of the American Chemical Society","2015","137","16","5421","5430","10.1021/jacs.5b00450","","","1.54178","CuKα","","0.1308","0.0997","","","0.2859","0.3214","","","","","","1.107","","","","has coordinates,has disorder","240055","2020-10-21","18:00:00",""
"4129321","26.445","0.002","26.445","0.002","21.08","0.002","90","","90","","120","","12767","1.8","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C228 H108 F6 O186.5 Tb27 -","- C228 H108 F6 O186.5 Tb27 -","- C228 H108 F6 O186.5 Tb27 -","1","0.0416667","","Alezi, Dalal; Peedikakkal, Abdul Malik P.; Weseliński, Łukasz J; Guillerm, Vincent; Belmabkhout, Youssef; Cairns, Amy J.; Chen, Zhijie; Wojtas, Łukasz; Eddaoudi, Mohamed","Quest for highly connected metal-organic framework platforms: rare-earth polynuclear clusters versatility meets net topology needs.","Journal of the American Chemical Society","2015","137","16","5421","5430","10.1021/jacs.5b00450","","","1.54178","CuKα","","0.0673","0.0587","","","0.1795","0.1948","","","","","","1.096","","","","has coordinates,has disorder","240056","2020-10-21","18:00:00",""
"4129322","26.3169","0.0012","26.3169","0.0012","26.3903","0.0016","90","","90","","120","","15828.7","1.4","100","2","99.65","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C240 H132 F6 O168.5 Tb27 -","- C246 H132 F6 O170.48 Tb27 -","- C246 H132 F6 O170.48 Tb27 -","1","0.0416667","","Alezi, Dalal; Peedikakkal, Abdul Malik P.; Weseliński, Łukasz J; Guillerm, Vincent; Belmabkhout, Youssef; Cairns, Amy J.; Chen, Zhijie; Wojtas, Łukasz; Eddaoudi, Mohamed","Quest for highly connected metal-organic framework platforms: rare-earth polynuclear clusters versatility meets net topology needs.","Journal of the American Chemical Society","2015","137","16","5421","5430","10.1021/jacs.5b00450","","","1.54178","CuKα","","0.1049","0.0859","","","0.2293","0.2472","","","","","","1.086","","","","has coordinates,has disorder","240057","2020-10-21","18:00:00",""
"4129323","26.1763","0.0009","26.1763","0.0009","26.3956","0.0011","90","","90","","120","","15663.1","1","100","2","100.15","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C270 H209 F6 N11 O187.5 Y27 -","- C269.998 H208.994 F6 N10.9992 O187.499 Y27 -","- C269.998 H208.994 F6 N10.9992 O187.499 Y27 -","1","0.0416667","","Alezi, Dalal; Peedikakkal, Abdul Malik P.; Weseliński, Łukasz J; Guillerm, Vincent; Belmabkhout, Youssef; Cairns, Amy J.; Chen, Zhijie; Wojtas, Łukasz; Eddaoudi, Mohamed","Quest for highly connected metal-organic framework platforms: rare-earth polynuclear clusters versatility meets net topology needs.","Journal of the American Chemical Society","2015","137","16","5421","5430","10.1021/jacs.5b00450","","","1.54178","CuKα","","0.0711","0.0681","","","0.2147","0.2183","","","","","","1.144","","","","has coordinates,has disorder","240058","2020-10-21","18:00:00",""
"4129324","8.964","0.001","9.347","0.001","19.713","0.002","90","","90","","90","","1651.7","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O5 S -","- C15 H23 N O5 S -","- C60 H92 N4 O20 S4 -","4","1","","Matthies, Stefan; Stallforth, Pierre; Seeberger, Peter H.","Total synthesis of legionaminic acid as basis for serological studies.","Journal of the American Chemical Society","2015","137","8","2848","2851","10.1021/jacs.5b00455","","","0.71069","MoKα","","0.1071","0.0566","","","0.1317","0.1501","","","","","","0.805","","","","has coordinates","240059","2020-10-21","18:00:00",""
"4129325","18.0006","0.0013","22.0279","0.0015","11.4933","0.0008","90","","90","","90","","4557.3","0.6","102","2","102","2","","","","","","","","8","P b a m","-P 2 2ab","55","","","","- C24 H41 F12 Fe N7 O13 S4 Sc -","- C24 H41 F12 Fe N7 O13 S4 Sc -","- C96 H164 F48 Fe4 N28 O52 S16 Sc4 -","4","0.5","","Prakash, Jai; Rohde, Gregory T.; Meier, Katlyn K.; Jasniewski, Andrew J.; Van Heuvelen, Katherine M.; Münck, Eckard; Que, Jr, Lawrence","Spectroscopic identification of an Fe(III) center, not Fe(IV), in the crystalline Sc-O-Fe adduct derived from [Fe(IV)(O)(TMC)]²⁺.","Journal of the American Chemical Society","2015","137","10","3478","3481","10.1021/jacs.5b00535","","","0.71073","MoKα","","0.108","0.0791","","","0.1984","0.2196","","","","","","1.043","","","","has coordinates,has disorder","240060","2020-10-21","18:00:00",""
"4129326","11.3535","0.0004","15.0535","0.0005","16.8302","0.0006","90","","90","","90","","2876.45","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H16 F12 N4 O4 Pd -","- C27 H16 F12 N4 O4 Pd -","- C108 H64 F48 N16 O16 Pd4 -","4","1","","Zhao, Yanchuan; Swager, Timothy M.","Simultaneous chirality sensing of multiple amines by (19)F NMR.","Journal of the American Chemical Society","2015","137","9","3221","3224","10.1021/jacs.5b00556","","","0.71073","MoKα","","0.0168","0.0165","","","0.0427","0.0429","","","","","","1.067","","","","has coordinates,has disorder","240061","2020-10-21","18:00:00",""
"4129327","10.082","0.0002","14.0144","0.0003","20.7098","0.0005","90","","90","","90","","2926.15","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 F6 N4 O2 Pd -","- C31 H26 F6 N4 O2 Pd -","- C124 H104 F24 N16 O8 Pd4 -","4","1","","Zhao, Yanchuan; Swager, Timothy M.","Simultaneous chirality sensing of multiple amines by (19)F NMR.","Journal of the American Chemical Society","2015","137","9","3221","3224","10.1021/jacs.5b00556","","","0.71073","MoKα","","0.0187","0.018","","","0.0426","0.0429","","","","","","1.049","","","","has coordinates","240062","2020-10-21","18:00:00",""
"4129328","10.9062","0.0008","9.951","0.0006","12.8568","0.0019","90","","92.754","0.01","90","","1393.7","0.2","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","TITNB","1,3,5-triiodo-2,4,6-trinitrobenzene","","- C6 I3 N3 O6 -","- C6 I3 N3 O6 -","- C24 I12 N12 O24 -","4","0.5","","Landenberger, Kira B.; Bolton, Onas; Matzger, Adam J.","Energetic-Energetic Cocrystals of Diacetone Diperoxide (DADP): Dramatic and Divergent Sensitivity Modifications via Cocrystallization.","Journal of the American Chemical Society","2015","137","15","5074","5079","10.1021/jacs.5b00661","","","1.54187","CuKα","","0.0489","0.0422","","","0.1062","0.1343","","","","","","1.194","","","","has coordinates","240063","2020-10-21","18:00:00",""
"4129329","25.909","0.002","10.0061","0.0007","8.2501","0.0008","90","","97.684","0.007","90","","2119.6","0.3","95","2","95","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","DADP - TITNB","diacetone diperoxide - 1,3,5-triiodo-2,4,6-trinitrobenzene","","- C12 H12 I3 N3 O10 -","- C12 H12 I3 N3 O10 -","- C48 H48 I12 N12 O40 -","4","0.5","","Landenberger, Kira B.; Bolton, Onas; Matzger, Adam J.","Energetic-Energetic Cocrystals of Diacetone Diperoxide (DADP): Dramatic and Divergent Sensitivity Modifications via Cocrystallization.","Journal of the American Chemical Society","2015","137","15","5074","5079","10.1021/jacs.5b00661","","","1.54187","CuKα","","0.0765","0.0646","","","0.1526","0.1949","","","","","","1.228","","","","has coordinates,has disorder","240064","2020-10-21","18:00:00",""
"4129330","8.7248","0.0007","19.3165","0.0015","10.0086","0.0008","90","","93.949","0.002","90","","1682.8","0.2","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Cheng, Jiashun; Qi, Xiaoxu; Li, Ming; Chen, Pinhong; Liu, Guosheng","Palladium-catalyzed intermolecular aminocarbonylation of alkenes: efficient access of β-amino acid derivatives.","Journal of the American Chemical Society","2015","137","7","2480","2483","10.1021/jacs.5b00719","","","0.71073","MoKα","","0.075","0.0519","","","0.1356","0.1499","","","","","","1.035","","","","has coordinates","240065","2020-10-21","18:00:00",""
"4129331","13.55","0.013","9.029","0.009","12.105","0.012","90","","98.554","0.017","90","","1464","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Cheng, Jiashun; Qi, Xiaoxu; Li, Ming; Chen, Pinhong; Liu, Guosheng","Palladium-catalyzed intermolecular aminocarbonylation of alkenes: efficient access of β-amino acid derivatives.","Journal of the American Chemical Society","2015","137","7","2480","2483","10.1021/jacs.5b00719","","","0.71073","MoKα","","0.0814","0.0706","","","0.1781","0.1933","","","","","","1.052","","","","has coordinates","240066","2020-10-21","18:00:00",""
"4129332","13.2436","0.0014","9.5398","0.0011","16.2198","0.0018","90","","93.458","0.005","90","","2045.5","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 Br O3 S -","- C23 H19 Br O3 S -","- C92 H76 Br4 O12 S4 -","4","2","","Luan, Yi; Barbato, Keith S.; Moquist, Philip N.; Kodama, Tomohiro; Schaus, Scott E.","Enantioselective synthesis of 1,2-dihydronaphthalene-1-carbaldehydes by addition of boronates to isochromene acetals catalyzed by tartaric acid.","Journal of the American Chemical Society","2015","137","9","3233","3236","10.1021/jacs.5b00757","","","0.71073","MoKα","","0.0493","0.0333","","","0.0768","0.0828","","","","","","1.025","","","","has coordinates","240067","2020-10-21","18:00:00",""
"4129333","7.3951","0.0008","9.2405","0.001","12.4955","0.0013","94.9772","0.0019","92.9909","0.0018","99.6841","0.0019","836.59","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 B F N O2 -","- C20 H17 B F N O2 -","- C40 H34 B2 F2 N2 O4 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.0601","0.0485","","","0.125","0.134","","","","","","1.034","","","","has coordinates","240068","2020-10-21","18:00:00",""
"4129334","8.411","0.0012","10.3006","0.0016","10.305","0.0016","70.889","0.003","85.787","0.003","72.497","0.003","804.2","0.2","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 B F N O2 -","- C20 H17 B F N O2 -","- C40 H34 B2 F2 N2 O4 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.0863","0.0471","","","0.0951","0.1084","","","","","","1.007","","","","has coordinates","240069","2020-10-21","18:00:00",""
"4129335","7.4065","0.0015","8.0566","0.0017","13.665","0.003","75.314","0.004","82.752","0.003","63.733","0.004","707.2","0.3","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H10 B Cl F N O3 -","- C16 H10 B Cl F N O3 -","- C32 H20 B2 Cl2 F2 N2 O6 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.1035","0.0598","","","0.1443","0.1626","","","","","","1.031","","","","has coordinates","240070","2020-10-21","18:00:00",""
"4129336","7.7516","0.0006","9.2538","0.0008","10.376","0.0009","76.366","0.005","86.963","0.004","76.196","0.004","702.42","0.1","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H14 B F N2 O3 -","- C15 H14 B F N2 O3 -","- C30 H28 B2 F2 N4 O6 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.0565","0.0429","","","0.0903","0.0953","","","","","","1.076","","","","has coordinates","240071","2020-10-21","18:00:00",""
"4129337","8.0588","0.001","10.1037","0.0013","10.6276","0.0012","74.904","0.005","88.49","0.005","74.088","0.005","802.52","0.17","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 B F N O2 -","- C21 H15 B F N O2 -","- C42 H30 B2 F2 N2 O4 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.0721","0.0464","","","0.1145","0.1288","","","","","","1.046","","","","has coordinates","240072","2020-10-21","18:00:00",""
"4129338","6.9935","0.0018","10.276","0.003","12.131","0.003","96.774","0.007","105.302","0.006","100.671","0.007","813.4","0.4","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 B F N O2 -","- C20 H17 B F N O2 -","- C40 H34 B2 F2 N2 O4 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.1061","0.0492","","","0.1017","0.1202","","","","","","0.999","","","","has coordinates","240073","2020-10-21","18:00:00",""
"4129339","8.991","0.003","11.016","0.003","11.145","0.003","81.671","0.011","81.588","0.012","68.426","0.01","1010.5","0.5","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H18 B Br F N O2 -","- C25 H18 B Br F N O2 -","- C50 H36 B2 Br2 F2 N2 O4 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.0639","0.0425","","","0.0974","0.1065","","","","","","1.067","","","","has coordinates","240074","2020-10-21","18:00:00",""
"4129340","11.4687","0.0017","9.8441","0.0014","14.44","0.002","90","","90.605","0.003","90","","1630.2","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 B F N O2 -","- C20 H17 B F N O2 -","- C80 H68 B4 F4 N4 O8 -","4","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.0642","0.0516","","","0.1303","0.14","","","","","","1.021","","","","has coordinates","240075","2020-10-21","18:00:00",""
"4129341","8.0565","0.0007","9.3185","0.0008","11.2177","0.0009","71.286","0.002","88.038","0.002","76.741","0.002","775.67","0.11","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 B F N O2 -","- C19 H15 B F N O2 -","- C38 H30 B2 F2 N2 O4 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.0456","0.0384","","","0.1027","0.109","","","","","","1.03","","","","has coordinates","240076","2020-10-21","18:00:00",""
"4129342","24.7411","0.0013","24.7411","0.0013","109.349","0.006","90","","90","","120","","57967","5","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C134 H179 Co4 N52 O15.5 S12 -","- C133.98 H168 Co4 N52 O15.49 S12 -","- C1607.76 H2016 Co48 N624 O185.88 S144 -","12","0.333333","","Jing, Xu; He, Cheng; Yang, Yang; Duan, Chunying","A metal-organic tetrahedron as a redox vehicle to encapsulate organic dyes for photocatalytic proton reduction.","Journal of the American Chemical Society","2015","137","11","3967","3974","10.1021/jacs.5b00832","","","0.71073","MoKα","","0.1154","0.0735","","","0.2174","0.2339","","","","","","1.016","","","","has coordinates,has disorder","240077","2020-10-21","18:00:00",""
"4129343","9.712","0.0008","24.68","0.002","21.697","0.0018","90","","92.404","0.005","90","","5196","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H67 Co N16 O4 S3 -","- C42 H67 Co N16 O4 S3 -","- C168 H268 Co4 N64 O16 S12 -","4","1","","Jing, Xu; He, Cheng; Yang, Yang; Duan, Chunying","A metal-organic tetrahedron as a redox vehicle to encapsulate organic dyes for photocatalytic proton reduction.","Journal of the American Chemical Society","2015","137","11","3967","3974","10.1021/jacs.5b00832","","","0.71073","MoKα","","0.1459","0.0787","","","0.1767","0.2005","","","","","","0.996","","","","has coordinates,has disorder","240078","2020-10-21","18:00:00",""
"4129344","20.8844","0.0008","20.8844","0.0008","20.8844","0.0008","90","","90","","90","","9108.9","0.6","200","2","200","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C60 H50 Co4 N40 O8 S12 -","- C60.12 H76.32 Co4 N40.08 O7.92 S12 -","- C120.24 H152.64 Co8 N80.16 O15.84 S24 -","2","0.0416667","","Jing, Xu; He, Cheng; Yang, Yang; Duan, Chunying","A metal-organic tetrahedron as a redox vehicle to encapsulate organic dyes for photocatalytic proton reduction.","Journal of the American Chemical Society","2015","137","11","3967","3974","10.1021/jacs.5b00832","","","0.71073","MoKα","","0.1496","0.067","","","0.1546","0.1615","","","","","","1.077","","","","has coordinates,has disorder","240079","2020-10-21","18:00:00",""
"4129345","14.2611","0.0006","17.3092","0.0005","18.8689","0.0007","90","","90","","90","","4657.8","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H84 Li2 N2 O4 Si4 -","- C39 H84 Li2 N2 O4 Si4 -","- C156 H336 Li8 N8 O16 Si16 -","4","1","","Bauer, Jonathan O.; Strohmann, Carsten","Stereocontrol in nucleophilic substitution reactions at silicon: the role of permutation in generating silicon-centered chirality.","Journal of the American Chemical Society","2015","137","13","4304","4307","10.1021/jacs.5b00861","","","0.71073","MoKα","","0.0404","0.0364","","","0.0999","0.1033","","","","","","1","","","","has coordinates","240080","2020-10-21","18:00:00",""
"4129346","9.3843","0.0002","9.3843","0.0002","51.04","0.002","90","","90","","90","","4494.8","0.2","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C32 H76 Li2 N2 O6 Si4 -","- C32 H76 Li2 N2 O6 Si4 -","- C128 H304 Li8 N8 O24 Si16 -","4","0.5","","Bauer, Jonathan O.; Strohmann, Carsten","Stereocontrol in nucleophilic substitution reactions at silicon: the role of permutation in generating silicon-centered chirality.","Journal of the American Chemical Society","2015","137","13","4304","4307","10.1021/jacs.5b00861","","","0.71073","MoKα","","0.0493","0.0443","","","0.1041","0.1067","","","","","","1","","","","has coordinates","240081","2020-10-21","18:00:00",""
"4129347","10.7398","0.0008","12.4581","0.0009","14.3472","0.0013","90","","90","","90","","1919.6","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","20120034","","","- C17 H27 B Br N O2 -","- C17 H27 B Br N O2 -","- C68 H108 B4 Br4 N4 O8 -","4","1","","Chen, Diao; Zhang, Xu; Qi, Wei-Yi; Xu, Bin; Xu, Ming-Hua","Rhodium(I)-catalyzed asymmetric carbene insertion into B-H bonds: highly enantioselective access to functionalized organoboranes.","Journal of the American Chemical Society","2015","137","16","5268","5271","10.1021/jacs.5b00892","","","0.71073","MoKα","","0.1904","0.0658","","","0.1508","0.2006","","","","","","0.985","","","","has coordinates","240082","2020-10-21","18:00:00",""
"4129348","6.0489","0.0002","15.1101","0.0006","9.9467","0.0004","90","","95.299","0.002","90","","905.24","0.06","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","20120034","","","- C19 H23 B Br N O -","- C19 H23 B Br N O -","- C38 H46 B2 Br2 N2 O2 -","2","1","","Chen, Diao; Zhang, Xu; Qi, Wei-Yi; Xu, Bin; Xu, Ming-Hua","Rhodium(I)-catalyzed asymmetric carbene insertion into B-H bonds: highly enantioselective access to functionalized organoboranes.","Journal of the American Chemical Society","2015","137","16","5268","5271","10.1021/jacs.5b00892","","","0.71073","MoKα","","0.0541","0.0342","","","0.0835","0.0904","","","","","","1.037","","","","has coordinates","240083","2020-10-21","18:00:00",""
"4129349","9.5503","0.0005","9.8672","0.0006","19.9286","0.0014","90","","90","","90","","1878","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 B Br N O -","- C19 H25 B Br N O -","- C76 H100 B4 Br4 N4 O4 -","4","1","","Chen, Diao; Zhang, Xu; Qi, Wei-Yi; Xu, Bin; Xu, Ming-Hua","Rhodium(I)-catalyzed asymmetric carbene insertion into B-H bonds: highly enantioselective access to functionalized organoboranes.","Journal of the American Chemical Society","2015","137","16","5268","5271","10.1021/jacs.5b00892","","","0.71073","MoKα","","0.1456","0.0587","","","0.1384","0.1751","","","","","","0.957","","","","has coordinates","240084","2020-10-21","18:00:00",""
"4129350","15.8389","0.0012","10.474","0.0008","31.533","0.003","90","","101.18","0.002","90","","5131.9","0.7","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H45 B Fe O2 P4 -","- C18 H45 B Fe O2 P4 -","- C144 H360 B8 Fe8 O16 P32 -","8","1","","Dombray, Thomas; Werncke, C. Gunnar; Jiang, Shi; Grellier, Mary; Vendier, Laure; Bontemps, Sébastien; Sortais, Jean-Baptiste; Sabo-Etienne, Sylviane; Darcel, Christophe","Iron-catalyzed C-H borylation of arenes.","Journal of the American Chemical Society","2015","137","12","4062","4065","10.1021/jacs.5b00895","","x-ray","0.71073","MoKα","","0.0689","0.0679","","","0.1609","0.1612","","","","","","1.256","","","","has coordinates,has disorder","240085","2020-10-21","18:00:00",""
"4129351","9.929","0.005","10.121","0.005","12.554","0.005","93.953","0.005","94.846","0.005","90.647","0.005","1253.9","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H44 N Si2 Ti -","- C24 H44 N Si2 Ti -","- C48 H88 N2 Si4 Ti2 -","2","1","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","0.71073","MoKα","","0.0272","0.0259","","","0.0712","0.0722","","","","","","1.066","","","","has coordinates","240086","2020-10-21","18:00:00",""
"4129352","8.8819","0.0004","16.3974","0.0008","18.2158","0.0009","84.747","0.001","84.959","0.001","82.055","0.001","2608.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H42 Cl N Si2 Ti -","- C24 H42 Cl N Si2 Ti -","- C96 H168 Cl4 N4 Si8 Ti4 -","4","2","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","0.71073","MoKα","","0.0566","0.0493","","","0.1289","0.1413","","","","","","0.852","","","","has coordinates,has disorder","240086","2020-10-21","18:00:00",""
"4129353","27.6821","0.0006","27.6929","0.0007","34.0662","0.0008","90","","90","","90","","26115.1","1.1","100","2","100","2","","","","","","","","8","C c c 2","C 2 -2c","37","","","","- C62 H62 B Cl F25 N Si2 Ti -","- C62 H62 B Cl F25 N Si2 Ti -","- C992 H992 B16 Cl16 F400 N16 Si32 Ti16 -","16","2","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","1.54184","CuKα","","0.0994","0.0991","","","0.3063","0.3078","","","","","","1.598","","","","has coordinates,has disorder","240086","2020-10-21","18:00:00",""
"4129354","13.9923","0.0009","14.352","0.0009","14.8495","0.0008","96.383","0.002","92.742","0.002","95.117","0.002","2946.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H57 B F24 N Si2 Ti -","- C56 H57 B F24 N Si2 Ti -","- C112 H114 B2 F48 N2 Si4 Ti2 -","2","1","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","0.71073","MoKα","","0.096","0.0795","","","0.1982","0.2237","","","","","","1.043","","","","has coordinates,has disorder","240086","2020-10-21","18:00:00",""
"4129355","8.594","0.005","14.684","0.005","20.92","0.005","90","","93.886","0.005","90","","2633.9","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 Cl N Si2 Zr -","- C24 H44 Cl N Si2 Zr -","- C96 H176 Cl4 N4 Si8 Zr4 -","4","1","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","0.71073","MoKα","","0.0439","0.0375","","","0.0933","0.0994","","","","","","1.069","","","","has coordinates,has disorder","240086","2020-10-21","18:00:00",""
"4129356","19.6307","0.0004","19.6307","0.0004","34.1665","0.0008","90","","90","","90","","13166.6","0.5","100","2","100","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C62 H61 B Cl F25 N Si2 Zr -","- C62 H61 B Cl F25 N Si2 Zr -","- C496 H488 B8 Cl8 F200 N8 Si16 Zr8 -","8","1","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","1.54178","CuKα","","0.0568","0.0555","","","0.1459","0.1472","","","","","","1.054","","","","has coordinates,has disorder","240086","2020-10-21","18:00:00",""
"4129357","8.4893","0.0003","9.0793","0.0003","19.2126","0.0006","82.979","0.001","89.616","0.001","64.858","0.001","1328.81","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H42 Cl Si2 Zr -","- C24 H42 Cl Si2 Zr -","- C48 H84 Cl2 Si4 Zr2 -","2","1","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","0.71073","MoKα","","0.0371","0.0278","","","0.0604","0.0635","","","","","","1.032","","","","has coordinates","240086","2020-10-21","18:00:00",""
"4129358","9.6952","0.0009","12.8096","0.0011","14.611","0.0013","94.717","0.002","90.136","0.002","94.751","0.002","1802.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H23 B F3 N O4 -","- C17 H23 B F3 N O4 -","- C68 H92 B4 F12 N4 O16 -","4","2","","Shi, Hang; Babinski, David J.; Ritter, Tobias","Modular C-H functionalization cascade of aryl iodides.","Journal of the American Chemical Society","2015","137","11","3775","3778","10.1021/jacs.5b01082","","","0.71073","MoKα","","0.0576","0.0441","","","0.1139","0.1231","","","","","","1.02","","","","has coordinates","240087","2020-10-21","18:00:00",""
"4129359","22.9578","0.0005","10.1978","0.0002","24.618","0.0006","90","","90","","90","","5763.5","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H36 Cl2 N2 O Ru -","- C31 H36 Cl2 N2 O Ru -","- C248 H288 Cl16 N16 O8 Ru8 -","8","2","","Engle, Keary M.; Lu, Gang; Luo, Shao-Xiong; Henling, Lawrence M.; Takase, Michael K.; Liu, Peng; Houk, K. N.; Grubbs, Robert H.","Origins of initiation rate differences in ruthenium olefin metathesis catalysts containing chelating benzylidenes.","Journal of the American Chemical Society","2015","137","17","5782","5792","10.1021/jacs.5b01144","","","0.71073","MoKα","","0.0587","0.0461","","","0.0991","0.1043","","","","","","1.072","","","","has coordinates","240088","2020-10-21","18:00:00",""
"4129360","11.6691","0.0006","14.3203","0.0007","21.4702","0.0011","90","","102.345","0.002","90","","3504.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 Cl4 N2 O Ru -","- C34 H44 Cl4 N2 O Ru -","- C136 H176 Cl16 N8 O4 Ru4 -","4","1","","Engle, Keary M.; Lu, Gang; Luo, Shao-Xiong; Henling, Lawrence M.; Takase, Michael K.; Liu, Peng; Houk, K. N.; Grubbs, Robert H.","Origins of initiation rate differences in ruthenium olefin metathesis catalysts containing chelating benzylidenes.","Journal of the American Chemical Society","2015","137","17","5782","5792","10.1021/jacs.5b01144","","","0.71073","MoKα","","0.0336","0.0276","","","0.0605","0.0655","","","","","","1.17","","","","has coordinates,has disorder","240089","2020-10-21","18:00:00",""
"4129361","19.095","0.0013","23.0197","0.0014","15.498","0.0011","90","","90","","90","","6812.3","0.8","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H46 Cl2 N2 O Ru -","- C38 H46 Cl2 N2 O Ru -","- C304 H368 Cl16 N16 O8 Ru8 -","8","2","","Engle, Keary M.; Lu, Gang; Luo, Shao-Xiong; Henling, Lawrence M.; Takase, Michael K.; Liu, Peng; Houk, K. N.; Grubbs, Robert H.","Origins of initiation rate differences in ruthenium olefin metathesis catalysts containing chelating benzylidenes.","Journal of the American Chemical Society","2015","137","17","5782","5792","10.1021/jacs.5b01144","","","0.71073","MoKα","","0.136","0.0561","","","0.0724","0.089","","","","","","1.005","","","","has coordinates","240090","2020-10-21","18:00:00",""
"4129362","19.3436","0.0008","23.1535","0.0009","15.3598","0.0006","90","","90","","90","","6879.2","0.5","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H46 Cl2 N2 O Ru -","- C38 H46 Cl2 N2 O Ru -","- C304 H368 Cl16 N16 O8 Ru8 -","8","2","","Engle, Keary M.; Lu, Gang; Luo, Shao-Xiong; Henling, Lawrence M.; Takase, Michael K.; Liu, Peng; Houk, K. N.; Grubbs, Robert H.","Origins of initiation rate differences in ruthenium olefin metathesis catalysts containing chelating benzylidenes.","Journal of the American Chemical Society","2015","137","17","5782","5792","10.1021/jacs.5b01144","","","0.71073","MoKα","","0.0862","0.0445","","","0.0897","0.1027","","","","","","1.534","","","","has coordinates","275248","2022-05-09","01:52:23",""
"4129363","16.3602","0.0008","13.9923","0.0006","15.093","0.0007","90","","101.13","0.002","90","","3390.1","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H42 Cl2 N2 O Ru -","- C37 H42 Cl2 N2 O Ru -","- C148 H168 Cl8 N8 O4 Ru4 -","4","1","","Engle, Keary M.; Lu, Gang; Luo, Shao-Xiong; Henling, Lawrence M.; Takase, Michael K.; Liu, Peng; Houk, K. N.; Grubbs, Robert H.","Origins of initiation rate differences in ruthenium olefin metathesis catalysts containing chelating benzylidenes.","Journal of the American Chemical Society","2015","137","17","5782","5792","10.1021/jacs.5b01144","","","0.71073","MoKα","","0.0518","0.0296","","","0.0707","0.0788","","","","","","1.354","","","","has coordinates","240092","2020-10-21","18:00:00",""
"4129364","29.89","0.004","29.89","0.004","5.8875","0.0007","90","","90","","120","","4555.3","1","133","2","133","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C20 H33 Cl O2 -","- C20 H33 Cl O2 -","- C180 H297 Cl9 O18 -","9","1","","Daub, Mary Elisabeth; Prudhomme, Jacques; Le Roch, Karine; Vanderwal, Christopher D.","Synthesis and potent antimalarial activity of kalihinol B.","Journal of the American Chemical Society","2015","137","15","4912","4915","10.1021/jacs.5b01152","","","0.71073","MoKα","","0.0458","0.0391","","","0.0879","0.0909","","","","","","1.038","","","","has coordinates","240093","2020-10-21","18:00:00",""
"4129365","10.2957","0.0007","18.7762","0.001","11.7473","0.0008","90","","113.372","0.005","90","","2084.6","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H61 B2 Li O4 -","- C46 H61 B2 Li O4 -","- C92 H122 B4 Li2 O8 -","2","1","","Hübner, Alexander; Kaese, Thomas; Diefenbach, Martin; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Holthausen, Max C.; Wagner, Matthias","A preorganized ditopic borane as highly efficient one- or two-electron trap.","Journal of the American Chemical Society","2015","137","10","3705","3714","10.1021/jacs.5b01192","","","0.71073","MoKα","","0.0759","0.061","","","0.1416","0.1499","","","","","","1.077","","","","has coordinates,has disorder","265216","2021-05-14","09:35:53",""
"4129366","10.6874","0.0007","11.5577","0.0008","17.3663","0.0012","101.338","0.005","99.271","0.005","106.041","0.005","1967.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H58 B2 Li2 O3 -","- C42 H58 B2 Li2 O3 -","- C84 H116 B4 Li4 O6 -","2","1","","Hübner, Alexander; Kaese, Thomas; Diefenbach, Martin; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Holthausen, Max C.; Wagner, Matthias","A preorganized ditopic borane as highly efficient one- or two-electron trap.","Journal of the American Chemical Society","2015","137","10","3705","3714","10.1021/jacs.5b01192","","","0.71073","MoKα","","0.0845","0.0701","","","0.174","0.184","","","","","","1.032","","","","has coordinates,has disorder","265216","2021-05-14","09:35:53",""
"4129367","10.8223","0.0006","24.5017","0.0011","17.7344","0.0009","90","","104.485","0.004","90","","4553.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 B2 Li O5 -","- C50 H68 B2 Li O5 -","- C200 H272 B8 Li4 O20 -","4","1","","Hübner, Alexander; Kaese, Thomas; Diefenbach, Martin; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Holthausen, Max C.; Wagner, Matthias","A preorganized ditopic borane as highly efficient one- or two-electron trap.","Journal of the American Chemical Society","2015","137","10","3705","3714","10.1021/jacs.5b01192","","","0.71073","MoKα","","0.0988","0.0779","","","0.1992","0.2138","","","","","","1.048","","","","has coordinates,has disorder","265216","2021-05-14","09:35:53",""
"4129368","9.0153","0.0009","10.5421","0.001","21.135","0.002","90","","90","","90","","2008.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H16 O S2 -","- C26 H16 O S2 -","- C104 H64 O4 S8 -","4","1","","Yang, Liu; Zheng, Huayu; Luo, Lei; Nan, Jiang; Liu, Jingjing; Wang, Yaoyu; Luan, Xinjun","Palladium-Catalyzed Dynamic Kinetic Asymmetric Transformation of Racemic Biaryls: Axial-to-Central Chirality Transfer.","Journal of the American Chemical Society","2015","137","15","4876","4879","10.1021/jacs.5b01285","","","0.71073","MoKα","","0.0586","0.0448","","","0.1215","0.1349","","","","","","0.816","","","","has coordinates","240095","2020-10-21","18:00:00",""
"4129369","8.4926","0.0004","15.1772","0.0008","21.5393","0.0011","90","","90","","90","","2776.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 N2 O4 S2 -","- C23 H26 N2 O4 S2 -","- C92 H104 N8 O16 S8 -","4","1","","Feng, Jian-Jun; Lin, Tao-Yan; Wu, Hai-Hong; Zhang, Junliang","Transfer of chirality in the rhodium-catalyzed intramolecular formal hetero-[5 + 2] cycloaddition of vinyl aziridines and alkynes: stereoselective synthesis of fused azepine derivatives.","Journal of the American Chemical Society","2015","137","11","3787","3790","10.1021/jacs.5b01305","","","0.71073","MoKα","","0.1086","0.0584","","","0.1533","0.1694","","","","","","0.955","","","","has coordinates","240096","2020-10-21","18:00:00",""
"4129370","13.4404","0.0018","6.0532","0.0008","31.206","0.004","90","","98.199","0.003","90","","2512.9","0.6","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H16 Br Cl O -","- C12 H16 Br Cl O -","- C96 H128 Br8 Cl8 O8 -","8","4","","Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z.","Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols.","Journal of the American Chemical Society","2015","137","11","3795","3798","10.1021/jacs.5b01384","","","0.71073","MoKα","","0.049","0.0409","","","0.1024","0.1061","","","","","","1.03","","","","has coordinates,has disorder","240097","2020-10-21","18:00:00",""
"4129371","8.6359","0.0008","10.3823","0.0009","11.5035","0.001","63.959","0.003","86.221","0.003","74.14","0.003","889.68","0.14","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H17 Br2 Cl O2 -","- C18 H17 Br2 Cl O2 -","- C36 H34 Br4 Cl2 O4 -","2","2","","Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z.","Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols.","Journal of the American Chemical Society","2015","137","11","3795","3798","10.1021/jacs.5b01384","","","0.71073","MoKα","","0.0556","0.0415","","","0.0838","0.0889","","","","","","1.037","","","","has coordinates","240098","2020-10-21","18:00:00",""
"4129372","16.4144","0.0011","23.4402","0.0015","5.9992","0.0004","90","","90","","90","","2308.2","0.3","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H16.5 Br Cl O1.25 -","- C10 H16.5 Br Cl O1.25 -","- C80 H132 Br8 Cl8 O10 -","8","2","","Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z.","Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols.","Journal of the American Chemical Society","2015","137","11","3795","3798","10.1021/jacs.5b01384","","","0.71073","MoKα","","0.0218","0.0185","","","0.0404","0.0412","","","","","","1.024","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4129373","7.9216","0.0003","7.4237","0.0003","8.8915","0.0004","90","","100.751","0.0011","90","","513.71","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H14 Br Cl O2 -","- C8 H14 Br Cl O2 -","- C16 H28 Br2 Cl2 O4 -","2","1","","Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z.","Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols.","Journal of the American Chemical Society","2015","137","11","3795","3798","10.1021/jacs.5b01384","","","1.54184","CuKα","","0.0158","0.0158","","","0.0403","0.0404","","","","","","1.124","","","","has coordinates","240100","2020-10-21","18:00:00",""
"4129374","6.1762","0.0007","6.3096","0.0008","23.492","0.003","90","","90","","90","","915.47","0.19","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H12 Br Cl O2 -","- C7 H12 Br Cl O2 -","- C28 H48 Br4 Cl4 O8 -","4","1","","Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z.","Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols.","Journal of the American Chemical Society","2015","137","11","3795","3798","10.1021/jacs.5b01384","","","0.71073","MoKα","","0.0169","0.0159","","","0.0384","0.0386","","","","","","1.06","","","","has coordinates","240101","2020-10-21","18:00:00",""
"4129375","11.2942","0.0005","23.5381","0.0011","15.3249","0.0007","90","","95.878","0.001","90","","4052.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H60 Br Co2 N4 P3 -","- C39 H60 Br Co2 N4 P3 -","- C156 H240 Br4 Co8 N16 P12 -","4","1","","Siedschlag, Randall B.; Bernales, Varinia; Vogiatzis, Konstantinos D.; Planas, Nora; Clouston, Laura J.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Catalytic silylation of dinitrogen with a dicobalt complex.","Journal of the American Chemical Society","2015","137","14","4638","4641","10.1021/jacs.5b01445","","","0.71073","MoKα","","0.0471","0.0312","","","0.0651","0.0704","","","","","","1.011","","","","has coordinates","240102","2020-10-21","18:00:00",""
"4129376","24.6","0.002","14.0091","0.0013","12.6805","0.0012","90","","97.223","0.001","90","","4335.3","0.7","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H60 Co2 N4 P3 -","- C39 H60 Co2 N4 P3 -","- C156 H240 Co8 N16 P12 -","4","1","","Siedschlag, Randall B.; Bernales, Varinia; Vogiatzis, Konstantinos D.; Planas, Nora; Clouston, Laura J.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Catalytic silylation of dinitrogen with a dicobalt complex.","Journal of the American Chemical Society","2015","137","14","4638","4641","10.1021/jacs.5b01445","","","0.71073","MoKα","","0.0562","0.0432","","","0.095","0.1013","","","","","","1.032","","","","has coordinates","240102","2020-10-21","18:00:00",""
"4129377","21.5306","0.0017","19.8037","0.0015","31.964","0.003","90","","90","","90","","13629","2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C57 H96 Co2 K N8 O6 P3 -","- C57 H96 Co2 K N8 O6 P3 -","- C456 H768 Co16 K8 N64 O48 P24 -","8","1","","Siedschlag, Randall B.; Bernales, Varinia; Vogiatzis, Konstantinos D.; Planas, Nora; Clouston, Laura J.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Catalytic silylation of dinitrogen with a dicobalt complex.","Journal of the American Chemical Society","2015","137","14","4638","4641","10.1021/jacs.5b01445","","","0.71073","MoKα","","0.12","0.0582","","","0.1203","0.141","","","","","","0.928","","","","has coordinates","240102","2020-10-21","18:00:00",""
"4129378","12.0635","0.0006","12.9418","0.0006","13.4585","0.0007","64.285","0.002","74.864","0.002","76.873","0.002","1811.7","0.16","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 B Cl2 Ir N6 O4 -","- C32 H40 B Cl2 Ir N6 O4 -","- C64 H80 B2 Cl4 Ir2 N12 O8 -","2","1","","Vivancos, Ángela; Vattier, Florencia; López-Serrano, Joaquín; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","A Diels-Alder reaction triggered by a [4 + 3] metallacycloaddition.","Journal of the American Chemical Society","2015","137","12","4074","4077","10.1021/jacs.5b01532","","","0.71073","MoKα","","0.0332","0.0316","","","0.0917","0.093","","","","","","1.094","","","","has coordinates","240103","2020-10-21","18:00:00",""
"4129379","34.237","0.01","10.824","0.002","16.931","0.005","90","","111.218","0.008","90","","5849","3","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H38 B Ir N6 O4 -","- C31 H38 B Ir N6 O4 -","- C248 H304 B8 Ir8 N48 O32 -","8","1","","Vivancos, Ángela; Vattier, Florencia; López-Serrano, Joaquín; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","A Diels-Alder reaction triggered by a [4 + 3] metallacycloaddition.","Journal of the American Chemical Society","2015","137","12","4074","4077","10.1021/jacs.5b01532","","","0.71073","MoKα","","0.1164","0.0713","","","0.1565","0.2115","","","","","","1.093","","","","has coordinates","240104","2020-10-21","18:00:00",""
"4129380","11.3242","0.0015","20.201","0.002","15.107","0.002","90","","101.614","0.005","90","","3385.1","0.7","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 B Ir N6 O8 -","- C32 H40 B Ir N6 O8 -","- C128 H160 B4 Ir4 N24 O32 -","4","1","","Vivancos, Ángela; Vattier, Florencia; López-Serrano, Joaquín; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","A Diels-Alder reaction triggered by a [4 + 3] metallacycloaddition.","Journal of the American Chemical Society","2015","137","12","4074","4077","10.1021/jacs.5b01532","","","0.71073","MoKα","","0.1153","0.0656","","","0.1524","0.1703","","","","","","0.934","","","","has coordinates","240105","2020-10-21","18:00:00",""
"4129381","7.2122","0.0003","13.7043","0.0005","27.1641","0.0011","90","","90","","90","","2684.85","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Br N O -","- C16 H12 Br N O -","- C128 H96 Br8 N8 O8 -","8","2","","Shen, Chong; Liu, Ren-Rong; Fan, Ren-Jie; Li, Ying-Long; Xu, Teng-Fei; Gao, Jian-Rong; Jia, Yi-Xia","Enantioselective Arylative Dearomatization of Indoles via Pd-Catalyzed Intramolecular Reductive Heck Reactions.","Journal of the American Chemical Society","2015","137","15","4936","4939","10.1021/jacs.5b01705","","","0.71073","MoKα","","0.0882","0.0457","","","0.1138","0.1413","","","","","","0.839","","","","has coordinates","240106","2020-10-21","18:00:00",""
"4129382","14.7015","0.0017","8.9613","0.001","15.8849","0.0018","90","","114.88","0.002","90","","1898.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H17 Br O -","- C25 H17 Br O -","- C100 H68 Br4 O4 -","4","2","","Zheng, Jun; Wang, Shao-Bo; Zheng, Chao; You, Shu-Li","Asymmetric Dearomatization of Naphthols via a Rh-Catalyzed C(sp²)-H Functionalization/Annulation Reaction.","Journal of the American Chemical Society","2015","137","15","4880","4883","10.1021/jacs.5b01707","","","0.71073","MoKα","","0.0515","0.0391","","","0.0945","0.0995","","","","","","1.007","","","","has coordinates","240107","2020-10-21","18:00:00",""
"4129383","22.5062","0.0003","22.5062","0.0003","11.0208","0.0005","90","","90","","90","","5582.4","0.3","173","","173","","","","","","","","","9","P 4 21 2","P 4ab 2ab","90","","","","- C79 H73 Ag4 Au4 B5 F20 N14 O P4 -","- C79 H52 Ag4 Au4 B5 F20 N14 O P4 -","- C158 H104 Ag8 Au8 B10 F40 N28 O2 P8 -","2","0.25","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.1183","0.0844","","","0.1896","0.2089","","","","","","1.081","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129384","19.5362","0.0003","21.4752","0.0003","27.3013","0.0004","76.93","0.001","84.909","0.001","80.575","0.001","10990.8","0.3","173","","173","","","","","","","","","9","P -1","-P 1","2","","","","- C80 H68 Ag4 Au4 B5 F20 N12 O P4 -","- C80 H57 Ag4 Au4 B4.5 F18 N12 O P4 -","- C320 H228 Ag16 Au16 B18 F72 N48 O4 P16 -","4","2","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.1549","0.0849","","","0.2038","0.2555","","","","","","1.062","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4129385","22.0485","0.0003","32.5162","0.0004","28.0735","0.0004","90","","97.359","0.001","90","","19961","0.5","172.95","0.1","172.95","0.1","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C164 H149 Ag8 Au8 B10 Cl0 F40 N25 O4 P8 -","- C164 H118 Ag8 Au8 B8 F32 N25 O4 P8 -","- C656 H472 Ag32 Au32 B32 F128 N100 O16 P32 -","4","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","1.54178","CuKα","","0.1072","0.0811","","","0.1943","0.2173","","","","","","1.094","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129386","16.7483","0.0009","30.1857","0.0016","20.9139","0.0009","90","","96.654","0.005","90","","10502","0.9","173","","173","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C83 H87 Ag4 Au4 B5 F20 N12 O6 P4 -","- C83 H64 Ag4 Au4 B5 F19 N12 O6 P4 -","- C332 H256 Ag16 Au16 B20 F76 N48 O24 P16 -","4","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.16","0.085","","","0.1925","0.2457","","","","","","1.062","","","","has coordinates,has disorder","240108","2020-10-21","18:00:00",""
"4129387","16.1973","0.0005","16.6308","0.0004","20.6296","0.0007","101.403","0.002","93.404","0.002","115.575","0.002","4847.4","0.3","100","","100","","","","","","","","","10","P -1","-P 1","2","","","","- C84 H80 Ag4 Au4 B5 F20 N13 Na0 O4 P4 -","- C84 H56 Ag4 Au4 B5 F20 N13 O4 P4 -","- C168 H112 Ag8 Au8 B10 F40 N26 O8 P8 -","2","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.0765","0.0435","","","0.0921","0.1111","","","","","","1.034","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129388","19.9871","0.0013","20.5857","0.001","28.8504","0.0016","94.618","0.004","106.315","0.005","108.447","0.005","10618.3","1.2","100","0.1","100","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C157 H144 Ag8 Au8 B10 F40 N24 O6 P8 -","- C157 H112 Ag8 Au8 B10 F40 N24 O6 P8 -","- C314 H224 Ag16 Au16 B20 F80 N48 O12 P16 -","2","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.7107","MoKα","","0.1069","0.077","","","0.1809","0.2037","","","","","","1.09","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129389","16.296","0.0003","16.881","0.0004","20.509","0.0004","100.93","0.002","93.259","0.002","116.217","0.002","4905.9","0.2","173","","173","","","","","","","","","10","P -1","-P 1","2","","","","- C83 H80 Ag4 Au4 B5 F20 N15 O3 P4 S -","- C83 H63 Ag4 Au4 B5 F20 N15 O3 P4 S -","- C166 H126 Ag8 Au8 B10 F40 N30 O6 P8 S2 -","2","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.0659","0.0438","","","0.1058","0.1251","","","","","","1.091","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129390","17.0945","0.0003","22.3918","0.0005","26.6588","0.0006","81.141","0.002","83.412","0.002","82.674","0.002","9953.1","0.4","100.01","0.1","100.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C154 H143 Ag8 Au8 B10 F40 N23 O2 P8 -","- C154 H131 Ag8 Au8 B10 F40 N23 O2 P8 -","- C308 H262 Ag16 Au16 B20 F80 N46 O4 P16 -","2","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.1828","0.0958","","","0.2027","0.2575","","","","","","1.035","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129391","17.2026","0.0009","23.0716","0.0014","26.8972","0.0012","88.519","0.004","80.909","0.004","69.262","0.005","9853","1","100.01","0.1","100.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C79.5 H92.25 Ag4 Au4 B5 F20 N13.5 O1.5 P4 -","- C79.5 H57 Ag4 Au4 B5 F20 N13.5 O1.5 P4 -","- C318 H228 Ag16 Au16 B20 F80 N54 O6 P16 -","4","2","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","1.54178","CuKα","","0.0929","0.0762","","","0.2097","0.22","","","","","","1.064","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129392","22.0571","0.0006","32.627","0.0012","33.4585","0.0012","90","","123.909","0.002","90","","19983.5","1.3","172.95","0.1","172.95","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C75 H70 Ag4 Au4 B5 F20 N11 O2 P4 -","- C75 H59 Ag4 Au4 B5 F20 N11 O2 P4 -","- C600 H472 Ag32 Au32 B40 F160 N88 O16 P32 -","8","2","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.1744","0.1074","","","0.2081","0.2372","","","","","","1.107","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129393","13.9897","0.0009","14.7664","0.0008","15.7371","0.0008","102.086","0.004","105.557","0.005","114.653","0.006","2647.8","0.3","173","","173","","","","","","","","","10","P -1","-P 1","2","","","","- C49 H41 Ag Au3 B2 Cl2 F8 N6 O P3 -","- C49 H41 Ag Au3 B2 Cl2 F8 N6 O P3 -","- C98 H82 Ag2 Au6 B4 Cl4 F16 N12 O2 P6 -","2","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.0948","0.063","","","0.1052","0.1169","","","","","","1.05","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129394","22.8506","0.0011","26.8509","0.0012","27.2014","0.0013","90","","108.22","0.005","90","","15852.9","1.4","100.01","0.1","100.01","0.1","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C54 H51 Ag3 Au3 B4 Cl0 F16 N6 O P3 -","- C54 H51 Ag3 Au3 B4 F16 N6 O P3 -","- C432 H408 Ag24 Au24 B32 F128 N48 O8 P24 -","8","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","1.54178","CuKα","","0.1312","0.1187","","","0.3176","0.3407","","","","","","1.331","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129395","9.708","0.0002","13.1997","0.0004","18.5066","0.0005","89.376","0.002","78.395","0.002","77.582","0.002","2267.36","0.11","150","2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H61 Cl N8 O Si -","- C46 H61 Cl N8 O Si -","- C92 H122 Cl2 N16 O2 Si2 -","2","1","","Ahmad, Syed Usman; Szilvási, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi","An NHC-Stabilized Silicon Analogue of Acylium Ion: Synthesis, Structure, Reactivity, and Theoretical Studies.","Journal of the American Chemical Society","2015","137","17","5828","5836","10.1021/jacs.5b01853","","x-ray","1.54184","CuKα","","0.0869","0.0754","","","0.179","0.1888","","","","","","1.063","","","","has coordinates,has disorder","240109","2020-10-21","18:00:00",""
"4129396","12.498","0.0006","13.8363","0.0007","18.2313","0.0008","90","","96.877","0.004","90","","3130","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H82 N6 O4 Si2 -","- C66 H82 N6 O4 Si2 -","- C132 H164 N12 O8 Si4 -","2","0.5","","Ahmad, Syed Usman; Szilvási, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi","An NHC-Stabilized Silicon Analogue of Acylium Ion: Synthesis, Structure, Reactivity, and Theoretical Studies.","Journal of the American Chemical Society","2015","137","17","5828","5836","10.1021/jacs.5b01853","","","1.54184","CuKα","","0.096","0.0695","","","0.1731","0.1925","","","","","","1.078","","","","has coordinates,has disorder","240110","2020-10-21","18:00:00",""
"4129397","10.7865","0.0002","17.7748","0.0004","41.4406","0.0009","90","","97.225","0.002","90","","7882.2","0.3","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H120 N4 O8 Si4 -","- C74 H120 N4 O8 Si4 -","- C296 H480 N16 O32 Si16 -","4","1","","Ahmad, Syed Usman; Szilvási, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi","An NHC-Stabilized Silicon Analogue of Acylium Ion: Synthesis, Structure, Reactivity, and Theoretical Studies.","Journal of the American Chemical Society","2015","137","17","5828","5836","10.1021/jacs.5b01853","","x-ray","1.54184","CuKα","","0.1079","0.0789","","","0.1803","0.1973","","","","","","1.037","","","","has coordinates,has disorder","240111","2020-10-21","18:00:00",""
"4129398","13.3991","0.0015","13.9186","0.0015","8.42","0.0009","90","","90","","90","","1570.3","0.3","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H22 Br P -","- C15 H22 Br P -","- C60 H88 Br4 P4 -","4","1","","Reichl, Kyle D.; Dunn, Nicole L.; Fastuca, Nicholas J.; Radosevich, Alexander T.","Biphilic Organophosphorus Catalysis: Regioselective Reductive Transposition of Allylic Bromides via P(III)/P(V) Redox Cycling.","Journal of the American Chemical Society","2015","137","16","5292","5295","10.1021/jacs.5b01899","","","0.71073","MoKα","","0.0411","0.0335","","","0.0843","0.0872","","","","","","0.998","","","","has coordinates","240112","2020-10-21","18:00:00",""
"4129399","6.4155","0.0008","15.9951","0.0019","19.986","0.002","90","","90","","90","","2050.9","0.4","100","0.5","100","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","weixyz03","","","- C24 H30 O4 -","- C24 H30 O4 -","- C96 H120 O16 -","4","1","","Zhao, Yang; Weix, Daniel J.","Enantioselective cross-coupling of meso-epoxides with aryl halides.","Journal of the American Chemical Society","2015","137","9","3237","3240","10.1021/jacs.5b01909","","","0.71073","MoKα","","0.0704","0.0482","","","0.0983","0.1079","","","","","","1.034","","","","has coordinates","240113","2020-10-21","18:00:00",""
"4129400","6.511","0.001","25.826","0.004","6.5577","0.001","90","","110.315","0.003","90","","1034.1","0.3","100","0.5","100","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","weixyz02","","","- C24 H30 O4 -","- C24 H30 O4 -","- C48 H60 O8 -","2","1","","Zhao, Yang; Weix, Daniel J.","Enantioselective cross-coupling of meso-epoxides with aryl halides.","Journal of the American Chemical Society","2015","137","9","3237","3240","10.1021/jacs.5b01909","","","0.71073","MoKα","","0.0431","0.0385","","","0.0938","0.0962","","","","","","1.074","","","","has coordinates","240115","2020-10-21","18:00:00",""
"4129401","9.0914","0.0015","9.1163","0.0015","10.4464","0.0017","79.339","0.003","82.318","0.003","65.198","0.003","770.8","0.2","100","0.5","100","0.5","","","","","","","","5","P 1","P 1","1","weixyz01","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C34 H38 N2 O6 S2 -","2","2","","Zhao, Yang; Weix, Daniel J.","Enantioselective cross-coupling of meso-epoxides with aryl halides.","Journal of the American Chemical Society","2015","137","9","3237","3240","10.1021/jacs.5b01909","","","0.71073","MoKα","","0.1006","0.0634","","","0.1366","0.1574","","","","","","1.038","","","","has coordinates,has disorder","240116","2020-10-21","18:00:00",""
"4129402","7.62594","0.00009","13.76475","0.00018","15.17422","0.00018","90","","90","","90","","1592.83","0.03","293.8","0.2","293.8","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O -","- C19 H26 N2 O -","- C76 H104 N8 O4 -","4","1","","Du, Ji-Yuan; Zeng, Chao; Han, Xiao-Jie; Qu, Hu; Zhao, Xian-He; An, Xian-Tao; Fan, Chun-An","Asymmetric total synthesis of Apocynaceae hydrocarbazole alkaloids (+)-deethylibophyllidine and (+)-limaspermidine.","Journal of the American Chemical Society","2015","137","12","4267","4273","10.1021/jacs.5b01926","","","1.5418","CuKα","","0.0346","0.0334","","","0.0903","0.0918","","","","","","1.03","","","","has coordinates","240117","2020-10-21","18:00:00",""
"4129403","8.13784","0.00015","10.2608","0.0002","15.6066","0.0003","90","","90","","90","","1303.16","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","Du, Ji-Yuan; Zeng, Chao; Han, Xiao-Jie; Qu, Hu; Zhao, Xian-He; An, Xian-Tao; Fan, Chun-An","Asymmetric total synthesis of Apocynaceae hydrocarbazole alkaloids (+)-deethylibophyllidine and (+)-limaspermidine.","Journal of the American Chemical Society","2015","137","12","4267","4273","10.1021/jacs.5b01926","","","1.54184","CuKα","","0.0355","0.0351","","","0.0945","0.095","","","","","","1.003","","","","has coordinates","240118","2020-10-21","18:00:00",""
"4129404","5.0858","0.0005","8.4697","0.0009","29.59","0.003","90","","90","","90","","1274.6","0.2","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2,2-trifluoro-N-((2R,3R)-3-phenylpent-4-en-2-yl)acetamide","","- C13 H14 F3 N O -","- C13 H14 F2.997 N O -","- C52 H56 F11.988 N4 O4 -","4","1","","Breitler, Simon; Carreira, Erick M.","Formaldehyde N,N-dialkylhydrazones as neutral formyl anion equivalents in iridium-catalyzed asymmetric allylic substitution.","Journal of the American Chemical Society","2015","137","16","5296","5299","10.1021/jacs.5b01951","","x-ray","0.71073","MoKα","","0.0413","0.0364","","","0.088","0.0911","","","","","","1.067","","","","has coordinates,has disorder","240119","2020-10-21","18:00:00",""
"4129405","5.5932","0.0001","11.272","0.0002","22.6456","0.0004","90","","90","","90","","1427.73","0.04","223.2","0.2","223.2","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R)-2-(-(naphtalen-2-yl)allyl)-1,3-dithiolane","","- C16 H16 S2 -","- C16 H16 S2 -","- C64 H64 S8 -","4","1","","Breitler, Simon; Carreira, Erick M.","Formaldehyde N,N-dialkylhydrazones as neutral formyl anion equivalents in iridium-catalyzed asymmetric allylic substitution.","Journal of the American Chemical Society","2015","137","16","5296","5299","10.1021/jacs.5b01951","","x-ray","1.54178","CuKα","","0.0337","0.0313","","","0.0781","0.0804","","","","","","1.045","","","","has coordinates,has disorder","240120","2020-10-21","18:00:00",""
"4129406","8.2312","0.0005","12.0232","0.0007","18.8874","0.0012","90","","90","","90","","1869.2","0.2","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2,2-trifluoro-N-((S)-2-(methoxymethyl)pyrrolidin-1-yl)-N-((2R,3R)-3-phenylpent-4-en-2-yl)acetamide","","- C19 H25 F3 N2 O2 -","- C19 H25 F3 N2 O2 -","- C76 H100 F12 N8 O8 -","4","1","","Breitler, Simon; Carreira, Erick M.","Formaldehyde N,N-dialkylhydrazones as neutral formyl anion equivalents in iridium-catalyzed asymmetric allylic substitution.","Journal of the American Chemical Society","2015","137","16","5296","5299","10.1021/jacs.5b01951","","x-ray","0.71073","MoKα","","0.0287","0.0261","","","0.0646","0.0661","","","","","","1.034","","","","has coordinates","240121","2020-10-21","18:00:00",""
"4129407","19.1583","0.0019","13.2632","0.0012","20.363","0.002","90","","104.173","0.003","90","","5016.7","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 N3 O -","- C27 H36 N3 O -","- C216 H288 N24 O8 -","8","2","","Park, Junbeom; Song, Hayoung; Kim, Youngsuk; Eun, Bit; Kim, Yonghwi; Bae, Dae Young; Park, Sungho; Rhee, Young Min; Kim, Won Jong; Kim, Kimoon; Lee, Eunsung","N-heterocyclic carbene nitric oxide radicals.","Journal of the American Chemical Society","2015","137","14","4642","4645","10.1021/jacs.5b01976","","","0.71073","MoKα","","0.1619","0.137","","","0.3462","0.3564","","","","","","1.167","","","","has coordinates","240122","2020-10-21","18:00:00",""
"4129408","5.7562","0.0012","10.199","0.002","19.546","0.004","90","","90","","90","","1147.5","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 F N O2 S -","- C12 H10 F N O2 S -","- C48 H40 F4 N4 O8 S4 -","4","1","","Zhao, Yanchuan; Jiang, Fanzhou; Hu, Jinbo","Spontaneous resolution of Julia-Kocienski intermediates facilitates phase separation to produce Z- and E-monofluoroalkenes.","Journal of the American Chemical Society","2015","137","15","5199","5203","10.1021/jacs.5b02112","","","1.54178","CuKα","","0.0387","0.0387","","","0.0903","0.0903","","","","","","1.119","","","","has coordinates","240123","2020-10-21","18:00:00",""
"4129409","6.0153","0.0012","9.3357","0.0019","36.705","0.007","90","","93.69","0.03","90","","2057","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F N O3 S -","- C24 H20 F N O3 S -","- C96 H80 F4 N4 O12 S4 -","4","1","","Zhao, Yanchuan; Jiang, Fanzhou; Hu, Jinbo","Spontaneous resolution of Julia-Kocienski intermediates facilitates phase separation to produce Z- and E-monofluoroalkenes.","Journal of the American Chemical Society","2015","137","15","5199","5203","10.1021/jacs.5b02112","","","1.54178","CuKα","","0.0404","0.0369","","","0.1098","0.113","","","","","","1.109","","","","has coordinates","240124","2020-10-21","18:00:00",""
"4129410","6.7245","0.0002","8.541","0.0003","29.6456","0.0011","90","","90","","90","","1702.66","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N -","- C22 H24 N -","- C88 H96 N4 -","4","1","","Rong, Zi-Qiang; Zhang, Yao; Chua, Raymond Hong Bing; Pan, Hui-Jie; Zhao, Yu","Dynamic Kinetic Asymmetric Amination of Alcohols: From A Mixture of Four Isomers to Diastereo- and Enantiopure α-Branched Amines.","Journal of the American Chemical Society","2015","137","15","4944","4947","10.1021/jacs.5b02212","","","1.54178","CuKα","","0.0539","0.0523","","","0.1337","0.1419","","","","","","1.139","","","","has coordinates","240125","2020-10-21","18:00:00",""
"4129411","16.678","0.003","14.028","0.002","14.858","0.003","90","","99.007","0.01","90","","3433.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","DCY1","","","- C36 H43 N3 Ni O7 S2 -","- C36 H43 N3 Ni O7 S2 -","- C144 H172 N12 Ni4 O28 S8 -","4","1","","Huang, Chung-Yang Dennis; Doyle, Abigail G.","Electron-deficient olefin ligands enable generation of quaternary carbons by Ni-catalyzed cross-coupling.","Journal of the American Chemical Society","2015","137","17","5638","5641","10.1021/jacs.5b02503","","","1.54178","CuKα","","0.0736","0.0657","","","0.1664","0.1762","","","","","","1.074","","","","has coordinates,has disorder","240126","2020-10-21","18:00:00",""
"4129412","8.6282","0.0002","15.1464","0.0004","16.6519","0.0005","90","","93.451","0.002","90","","2172.23","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","CYH3-57A","","","- C24 H22 N2 O6 S2 -","- C24 H22 N2 O6 S2 -","- C96 H88 N8 O24 S8 -","4","2","","Huang, Chung-Yang Dennis; Doyle, Abigail G.","Electron-deficient olefin ligands enable generation of quaternary carbons by Ni-catalyzed cross-coupling.","Journal of the American Chemical Society","2015","137","17","5638","5641","10.1021/jacs.5b02503","","","0.71073","MoKα","","0.0415","0.0324","","","0.08","0.0839","","","","","","1.034","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4129413","16.4389","0.0006","16.4389","0.0006","16.3399","0.0008","90","","90","","120","","3824.1","0.3","100","2","100","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C19 H45 Cl2 Eu N8 O -","- C19 H39 Cl2 Eu N8 O -","- C114 H234 Cl12 Eu6 N48 O6 -","6","1","","Kuda-Wedagedara, Akhila N W; Wang, Chengcheng; Martin, Philip D.; Allen, Matthew J.","Aqueous Eu(II)-Containing Complex with Bright Yellow Luminescence.","Journal of the American Chemical Society","2015","137","15","4960","4963","10.1021/jacs.5b02506","","","0.71073","MoKα","","0.065","0.0543","","","0.1515","0.1601","","","","","","1.244","","","","has coordinates","240128","2020-10-21","18:00:00",""
"4129414","12.4202","0.001","18.5765","0.0015","8.408","0.0007","90","","90","","90","","1939.9","0.3","293","","293","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22 H19 N O3 S2 -","- C22 H19 N O3 S2 -","- C88 H76 N4 O12 S8 -","4","1","","Fukata, Yukihiro; Asano, Keisuke; Matsubara, Seijiro","Facile net cycloaddition approach to optically active 1,5-benzothiazepines.","Journal of the American Chemical Society","2015","137","16","5320","5323","10.1021/jacs.5b02537","","","0.71075","MoKα","","","0.0218","","","","0.0609","","","","","","1.077","","","","has coordinates","240129","2020-10-21","18:00:00",""
"4129415","14.8494","0.0006","9.7009","0.0004","14.1516","0.0006","90","","99.519","0.002","90","","2010.5","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","13118b","","","- C22 H22 N2 O5 S -","- C22 H22 N2 O5 S -","- C88 H88 N8 O20 S4 -","4","2","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","AlCl₃-Catalyzed Ring Expansion Cascades of Bicyclic Cyclobutenamides Involving Highly Strained Cis,Trans-Cycloheptadienone Intermediates.","Journal of the American Chemical Society","2015","137","16","5596","5601","10.1021/jacs.5b02561","","","1.54178","CuKα","","0.0387","0.0371","","","0.0939","0.0951","","","","","","1.038","","","","has coordinates,has disorder","240130","2020-10-21","18:00:00",""
"4129416","17.2847","0.0013","10.7604","0.0008","11.6974","0.0009","90","","99.408","0.005","90","","2146.3","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","13310b","","","- C23 H28 N2 O5 S -","- C23 H28 N2 O5 S -","- C92 H112 N8 O20 S4 -","4","1","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","AlCl₃-Catalyzed Ring Expansion Cascades of Bicyclic Cyclobutenamides Involving Highly Strained Cis,Trans-Cycloheptadienone Intermediates.","Journal of the American Chemical Society","2015","137","16","5596","5601","10.1021/jacs.5b02561","","","1.54178","CuKα","","0.0449","0.0401","","","0.1085","0.1128","","","","","","1.017","","","","has coordinates","240131","2020-10-21","18:00:00",""
"4129417","14.1052","0.0004","9.7605","0.0003","28.102","0.0009","90","","90","","90","","3868.9","0.2","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","13273b","","","- C21 H20 N2 O5 S -","- C21 H20 N2 O5 S -","- C168 H160 N16 O40 S8 -","8","2","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","AlCl₃-Catalyzed Ring Expansion Cascades of Bicyclic Cyclobutenamides Involving Highly Strained Cis,Trans-Cycloheptadienone Intermediates.","Journal of the American Chemical Society","2015","137","16","5596","5601","10.1021/jacs.5b02561","","","1.54178","CuKα","","0.0559","0.0484","","","0.1239","0.1299","","","","","","1.028","","","","has coordinates","240132","2020-10-21","18:00:00",""
"4129418","11.8924","0.0002","7.364","0.0001","35.0669","0.0006","90","","98.35","0.002","90","","3038.45","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O S -","- C18 H17 N O S -","- C144 H136 N8 O8 S8 -","8","2","","Shi, Jiarong; Qiu, Dachuan; Wang, Juan; Xu, Hai; Li, Yang","Domino aryne precursor: efficient construction of 2,4-disubstituted benzothiazoles.","Journal of the American Chemical Society","2015","137","17","5670","5673","10.1021/jacs.5b02566","","","0.71073","MoKα","","0.0487","0.0381","","","0.0874","0.093","","","","","","1.046","","","","has coordinates","240133","2020-10-21","18:00:00",""
"4129419","19.484","0.004","20.669","0.004","25.822","0.005","73.27","0.03","85.71","0.03","72.57","0.03","9501","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C221 H174 F12 N4 O25 Ru4 S4 -","- C221 H169 F12 N4 O25 Ru4 S4 -","- C442 H338 F24 N8 O50 Ru8 S8 -","2","1","","Lee, HyeWoo; Elumalai, Palani; Singh, Nem; Kim, Hyunuk; Lee, Sang Uck; Chi, Ki-Whan","Selective synthesis of ruthenium(II) Metalla[2]catenane via solvent and guest-dependent self-assembly.","Journal of the American Chemical Society","2015","137","14","4674","4677","10.1021/jacs.5b02573","","","0.7","synchrotron","","0.1162","0.0937","","","0.2764","0.296","","","","","","1.164","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4129420","29.291","0.006","38.789","0.008","28.633","0.006","90","","117.92","0.03","90","","28745","13","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C286 H254 F24 N9 O51 Ru8 S8 -","- C286 H244 F24 N9 O51 Ru8 S8 -","- C1144 H976 F96 N36 O204 Ru32 S32 -","4","1","","Lee, HyeWoo; Elumalai, Palani; Singh, Nem; Kim, Hyunuk; Lee, Sang Uck; Chi, Ki-Whan","Selective synthesis of ruthenium(II) Metalla[2]catenane via solvent and guest-dependent self-assembly.","Journal of the American Chemical Society","2015","137","14","4674","4677","10.1021/jacs.5b02573","","","0.7","synchrotron","","0.1289","0.1065","","","0.3235","0.3426","","","","","","1.355","","","","has coordinates","240135","2020-10-21","18:00:00",""
"4129421","15.486","0.012","28.395","0.018","16.019","0.011","90","","115.902","0.014","90","","6336","8","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C58 H61 B Cl F24 Mo N P3 -","- C58 H61 B Cl F24 Mo N P3 -","- C232 H244 B4 Cl4 F96 Mo4 N4 P12 -","4","1","","Arashiba, Kazuya; Kinoshita, Eriko; Kuriyama, Shogo; Eizawa, Aya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic reduction of dinitrogen to ammonia by use of molybdenum-nitride complexes bearing a tridentate triphosphine as catalysts.","Journal of the American Chemical Society","2015","137","17","5666","5669","10.1021/jacs.5b02579","","","0.71075","MoKα","","","0.1085","","","","0.2343","","","","","","1.006","","","","has coordinates","240136","2020-10-21","18:00:00",""
"4129422","8.5644","0.0006","20.4505","0.0011","17.1479","0.0009","90","","93.8777","0.0016","90","","2996.5","0.3","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H49 Cl Mo N P3 -","- C26 H49 Cl Mo N P3 -","- C104 H196 Cl4 Mo4 N4 P12 -","4","1","","Arashiba, Kazuya; Kinoshita, Eriko; Kuriyama, Shogo; Eizawa, Aya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic reduction of dinitrogen to ammonia by use of molybdenum-nitride complexes bearing a tridentate triphosphine as catalysts.","Journal of the American Chemical Society","2015","137","17","5666","5669","10.1021/jacs.5b02579","","","0.71075","MoKα","","","0.0689","","","","0.1361","","","","","","1.013","","","","has coordinates","240137","2020-10-21","18:00:00",""
"4129423","10.6682","0.0004","18.2369","0.0007","24.0876","0.001","90","","90","","90","","4686.4","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 N O2 -","- C28 H39 N O2 -","- C224 H312 N8 O16 -","8","2","","Sharpe, Robert J.; Johnson, Jeffrey S.","A global and local desymmetrization approach to the synthesis of steroidal alkaloids: stereocontrolled total synthesis of paspaline.","Journal of the American Chemical Society","2015","137","15","4968","4971","10.1021/jacs.5b02631","","","1.54178","CuKα","","0.0402","0.0384","","","0.1028","0.1044","","","","","","1.039","","","","has coordinates","240138","2020-10-21","18:00:00",""
"4129424","3.6839","0.0003","14.8496","0.0014","13.0315","0.0012","90","","91.346","0.001","90","","712.68","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 Ni S2 -","- C18 H12 N2 Ni S2 -","- C36 H24 N4 Ni2 S4 -","2","0.5","","Liu, Guangfeng; Liu, Jie; Sun, Hao; Zheng, Xiaoxin; Liu, Yang; Li, Xiaomin; Qi, He; Bai, Xuedong; Jackson, Kenneth A.; Tao, Xutang","In situ imaging of on-surface, solvent-free molecular single-crystal growth.","Journal of the American Chemical Society","2015","137","15","4972","4975","10.1021/jacs.5b02637","","","0.71073","MoKα","","0.0236","0.022","","","0.0562","0.057","","","","","","0.993","","","","has coordinates","240139","2020-10-21","18:00:00",""
"4129425","33.591","0.002","13.3628","0.0008","14.0068","0.0008","90","","106.444","0.002","90","","6030.1","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","ALM-VIII-19","","","- C31 H23 F10 N O5 Si -","- C31 H23 F10 N O5 Si -","- C248 H184 F80 N8 O40 Si8 -","8","1","","Liberman-Martin, Allegra L; Bergman, Robert G.; Tilley, T. Don","Lewis Acidity of Bis(perfluorocatecholato)silane: Aldehyde Hydrosilylation Catalyzed by a Neutral Silicon Compound.","Journal of the American Chemical Society","2015","137","16","5328","5331","10.1021/jacs.5b02807","","","1.54178","cukα","","0.0491","0.0466","","","0.1317","0.1342","","","","","","1.032","","","","has coordinates","240140","2020-10-21","18:00:00",""
"4129426","10.302","0.002","11.005","0.002","19.949","0.004","94.143","0.009","92.813","0.011","95.037","0.009","2243.6","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","ALM-VI-33","","","- C18 H18 F9 N3 O4 S Si -","- C18 H18 F9 N3 O4 S Si -","- C72 H72 F36 N12 O16 S4 Si4 -","4","2","","Liberman-Martin, Allegra L; Bergman, Robert G.; Tilley, T. Don","Lewis Acidity of Bis(perfluorocatecholato)silane: Aldehyde Hydrosilylation Catalyzed by a Neutral Silicon Compound.","Journal of the American Chemical Society","2015","137","16","5328","5331","10.1021/jacs.5b02807","","","0.71073","mokα","","0.071","0.0555","","","0.1483","0.162","","","","","","1.09","","","","has coordinates","240141","2020-10-21","18:00:00",""
"4129427","9.97","0.007","12.46","0.009","36.86","0.03","82.668","0.01","87.451","0.009","73.233","0.009","4348","6","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C106 H94 N14 O4 -","- C106 H94 N14 O4 -","- C212 H188 N28 O8 -","2","1","","Mutoh, Katsuya; Nakagawa, Yuki; Sakamoto, Akira; Kobayashi, Yoichi; Abe, Jiro","Stepwise Two-Photon-Gated Photochemical Reaction in Photochromic [2.2]Paracyclophane-Bridged Bis(imidazole dimer).","Journal of the American Chemical Society","2015","137","17","5674","5677","10.1021/jacs.5b02862","","","0.71073","MoKα","","0.0622","0.0433","","","0.0945","0.1044","","","","","","0.999","","","","has coordinates","240142","2020-10-21","18:00:00",""
"4129428","9.305","0.005","14.062","0.007","14.402","0.008","69.949","0.006","85.065","0.007","86.902","0.007","1763.1","1.6","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C94 H70 N8 -","- C94 H70 N8 -","- C94 H70 N8 -","1","0.5","","Mutoh, Katsuya; Nakagawa, Yuki; Sakamoto, Akira; Kobayashi, Yoichi; Abe, Jiro","Stepwise Two-Photon-Gated Photochemical Reaction in Photochromic [2.2]Paracyclophane-Bridged Bis(imidazole dimer).","Journal of the American Chemical Society","2015","137","17","5674","5677","10.1021/jacs.5b02862","","","0.71073","MoKα","","0.0524","0.0412","","","0.0918","0.0987","","","","","","0.987","","","","has coordinates","240143","2020-10-21","18:00:00",""
"4129429","13.822","0.012","21.057","0.019","23.74","0.02","90","","95.313","0.012","90","","6880","10","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C85 H66 Cl2 N12 -","- C85 H66 Cl2 N12 -","- C340 H264 Cl8 N48 -","4","1","","Mutoh, Katsuya; Nakagawa, Yuki; Sakamoto, Akira; Kobayashi, Yoichi; Abe, Jiro","Stepwise Two-Photon-Gated Photochemical Reaction in Photochromic [2.2]Paracyclophane-Bridged Bis(imidazole dimer).","Journal of the American Chemical Society","2015","137","17","5674","5677","10.1021/jacs.5b02862","","","0.71073","MoKα","","0.1518","0.1068","","","0.3064","0.3369","","","","","","1.026","","","","has coordinates,has disorder","240144","2020-10-21","18:00:00",""
"4129430","13.2818","0.0008","5.4168","0.0003","17.4542","0.0009","90","","106.944","0.002","90","","1201.23","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H21 B2 Br2 O4 -","- C27 H21 B2 Br2 O4 -","- C54 H42 B4 Br4 O8 -","2","1","","Lu, Zhenpin; Hausmann, Heike; Becker, Sabine; Wegner, Hermann A.","Aromaticity as stabilizing element in the bidentate activation for the catalytic reduction of carbon dioxide.","Journal of the American Chemical Society","2015","137","16","5332","5335","10.1021/jacs.5b02905","","","0.71073","MoKα","","0.0519","0.044","","","0.1045","0.1089","","","","","","1.107","","","","has coordinates,has disorder","240145","2020-10-21","18:00:00",""
"4129431","10.7904","0.0002","10.7904","0.0002","26.1124","0.0005","90","","90","","120","","2633.01","0.09","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C21 H28 O2 -","- C21 H28 O2 -","- C126 H168 O12 -","6","1","","Rajendar, Goreti; Corey, E. J.","A systematic study of functionalized oxiranes as initiating groups for cationic polycyclization reactions.","Journal of the American Chemical Society","2015","137","17","5837","5844","10.1021/jacs.5b03229","","","1.54178","CuKα","","0.0268","0.0261","","","0.0679","0.0684","","","","","","1.044","","","","has coordinates","240146","2020-10-21","18:00:00",""
"4129432","17.6439","0.0005","5.9607","0.0002","18.9","0.0005","90","","110.686","0.0018","90","","1859.56","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H28 O2 -","- C24 H28 O2 -","- C96 H112 O8 -","4","2","","Rajendar, Goreti; Corey, E. J.","A systematic study of functionalized oxiranes as initiating groups for cationic polycyclization reactions.","Journal of the American Chemical Society","2015","137","17","5837","5844","10.1021/jacs.5b03229","","","1.54178","CuKα","","0.0529","0.0449","","","0.1088","0.1126","","","","","","1.052","","","","has coordinates,has disorder","240147","2020-10-21","18:00:00",""
"4129433","10.468","0.002","28.029","0.006","14.653","0.003","90","","93.53","0.03","90","","4291.1","1.5","90","2","90","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","Compound 2^.^ toluene","","","- C84 H24 -","- C84 H24 -","- C336 H96 -","4","1","","Cerón, Maira R; Izquierdo, Marta; Aghabali, Amineh; Valdez, Juan A.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.; Wudl, Fred; Echegoyen, Luis","Tethered bisadducts of C60 and C70 with addends on a common hexagonal face and a 12-membered hole in the fullerene cage.","Journal of the American Chemical Society","2015","137","23","7502","7508","10.1021/jacs.5b03768","","","1.54178","CuKα","","0.0872","0.0583","","","0.1455","0.1673","","","","","","1.013","","","","has coordinates","240148","2020-10-21","18:00:00",""
"4129434","10.1396","0.0006","12.5178","0.0008","18.4844","0.0011","78.592","0.003","88.599","0.003","83.382","0.003","2284.5","0.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Compound3^.^2.5 carbon disulfide","","","- C79.5 H16 O2 S5 -","- C79.5 H16 O2 S5 -","- C159 H32 O4 S10 -","2","1","","Cerón, Maira R; Izquierdo, Marta; Aghabali, Amineh; Valdez, Juan A.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.; Wudl, Fred; Echegoyen, Luis","Tethered bisadducts of C60 and C70 with addends on a common hexagonal face and a 12-membered hole in the fullerene cage.","Journal of the American Chemical Society","2015","137","23","7502","7508","10.1021/jacs.5b03768","","","1.54178","CuKα","","0.074","0.0672","","","0.2039","0.212","","","","","","1.037","","","","has coordinates","240149","2020-10-21","18:00:00",""
"4129435","10.506","0.0005","15.339","0.0007","15.3994","0.0007","89.815","0.003","72.809","0.003","87.714","0.003","2368.79","0.19","100","2","100","2","","","","","","","","2","P -1","-P 1","2","DPP-C70","","","- C94 H24 -","- C94 H24 -","- C188 H48 -","2","1","","Cerón, Maira R; Izquierdo, Marta; Aghabali, Amineh; Valdez, Juan A.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.; Wudl, Fred; Echegoyen, Luis","Tethered bisadducts of C60 and C70 with addends on a common hexagonal face and a 12-membered hole in the fullerene cage.","Journal of the American Chemical Society","2015","137","23","7502","7508","10.1021/jacs.5b03768","","","0.7749","synchrotron","","0.105","0.0666","","","0.1738","0.1955","","","","","","1.027","","","","has coordinates","240150","2020-10-21","18:00:00",""
"4129436","10.63","0.007","14.322","0.009","14.665","0.011","91.75","0.02","93.43","0.02","100.84","0.02","2187","3","254","2","254","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 B F20 P Si -","- C42 H42 B F20 P Si -","- C84 H84 B2 F40 P2 Si2 -","2","1","","Holthausen, Michael H.; Bayne, Julia M.; Mallov, Ian; Dobrovetsky, Roman; Stephan, Douglas W.","1,2-Diphosphonium dication: a strong P-based Lewis acid in frustrated lewis pair (FLP)-activations of B-H, Si-H, C-H, and H-H bonds.","Journal of the American Chemical Society","2015","137","23","7298","7301","10.1021/jacs.5b04109","","","0.71073","MoKα","","0.0596","0.0446","","","0.1373","0.152","","","","","","1.052","","","","has coordinates","240151","2020-10-21","18:00:00",""
"4129437","11.1735","0.0005","24.0997","0.001","27.9588","0.0009","90","","90","","90","","7528.7","0.5","149","2","149","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C37 H29 Cl2 F6 N O4 P2 S2 -","- C37 H29 Cl2 F6 N O4 P2 S2 -","- C296 H232 Cl16 F48 N8 O32 P16 S16 -","8","1","","Holthausen, Michael H.; Bayne, Julia M.; Mallov, Ian; Dobrovetsky, Roman; Stephan, Douglas W.","1,2-Diphosphonium dication: a strong P-based Lewis acid in frustrated lewis pair (FLP)-activations of B-H, Si-H, C-H, and H-H bonds.","Journal of the American Chemical Society","2015","137","23","7298","7301","10.1021/jacs.5b04109","","","0.71073","MoKα","","0.0941","0.0497","","","0.1111","0.1273","","","","","","1.032","","","","has coordinates","240152","2020-10-21","18:00:00",""
"4129438","15.2365","0.0019","8.3072","0.0007","16.1953","0.0016","90","","96.248","0.008","90","","2037.7","0.4","149","2","149","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H34 B F4 P -","- C19 H34 B F4 P -","- C76 H136 B4 F16 P4 -","4","1","","Holthausen, Michael H.; Bayne, Julia M.; Mallov, Ian; Dobrovetsky, Roman; Stephan, Douglas W.","1,2-Diphosphonium dication: a strong P-based Lewis acid in frustrated lewis pair (FLP)-activations of B-H, Si-H, C-H, and H-H bonds.","Journal of the American Chemical Society","2015","137","23","7298","7301","10.1021/jacs.5b04109","","","0.71073","MoKα","","0.0338","0.03","","","0.0714","0.0736","","","","","","1.03","","","","has coordinates","240153","2020-10-21","18:00:00",""
"4129439","17.108","0.0011","14.0937","0.0008","16.0726","0.0011","90","","102.341","0.005","90","","3785.8","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Radical 4e","","- C41 H62 B F4 N2 O -","- C41 H62 B F4 N2 O -","- C164 H248 B4 F16 N8 O4 -","4","1","","Mahoney, Janell K.; Martin, David; Thomas, Fabrice; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Air-persistent monomeric (amino)(carboxy) radicals derived from cyclic (alkyl)(amino) carbenes.","Journal of the American Chemical Society","2015","137","23","7519","7525","10.1021/jacs.5b04414","","x-ray","1.54178","CuKα","","0.1284","0.0744","","","0.1843","0.2194","","","","","","1.043","","","","has coordinates,has disorder","240154","2020-10-21","18:00:00",""
"4129440","8.8071","0.0004","24.8008","0.0012","11.5922","0.0005","90","","90.095","0.003","90","","2532","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4b","","- C27 H35 F7 N O -","- C27 H35 F7 N O -","- C108 H140 F28 N4 O4 -","4","1","","Mahoney, Janell K.; Martin, David; Thomas, Fabrice; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Air-persistent monomeric (amino)(carboxy) radicals derived from cyclic (alkyl)(amino) carbenes.","Journal of the American Chemical Society","2015","137","23","7519","7525","10.1021/jacs.5b04414","","x-ray","0.71073","MoKα","","0.0779","0.0669","","","0.1821","0.1923","","","","","","1.031","","","","has coordinates","240155","2020-10-21","18:00:00",""
"4129441","21.875","0.004","8.1455","0.0013","18.299","0.003","90","","90","","90","","3260.6","1","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","4d","","- C37 H43 F5 N O -","- C37 H43 F5 N O -","- C148 H172 F20 N4 O4 -","4","1","","Mahoney, Janell K.; Martin, David; Thomas, Fabrice; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Air-persistent monomeric (amino)(carboxy) radicals derived from cyclic (alkyl)(amino) carbenes.","Journal of the American Chemical Society","2015","137","23","7519","7525","10.1021/jacs.5b04414","","","0.71073","MoKα","","0.0702","0.0434","","","0.0802","0.0911","","","","","","1.011","","","","has coordinates","240156","2020-10-21","18:00:00",""
"4129442","12.3686","0.0005","10.8693","0.0005","31.829","0.0012","90","","100.487","0.003","90","","4207.6","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Iminium tetrafluoroborate 9","","- C42 H65 B Cl2 F4 N2 O -","- C42 H65 B Cl2 F4 N2 O -","- C168 H260 B4 Cl8 F16 N8 O4 -","4","1","","Mahoney, Janell K.; Martin, David; Thomas, Fabrice; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Air-persistent monomeric (amino)(carboxy) radicals derived from cyclic (alkyl)(amino) carbenes.","Journal of the American Chemical Society","2015","137","23","7519","7525","10.1021/jacs.5b04414","","x-ray","1.54184","CuKα","","0.0948","0.0704","","","0.1942","0.2148","","","","","","1.052","","","","has coordinates,has disorder","240157","2020-10-21","18:00:00",""
"4129443","16.235","0.003","15.647","0.003","16.426","0.003","90","","98.735","0.003","90","","4124.3","1.3","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H66 B F4 N7 -","- C37 H66 B F4 N7 -","- C148 H264 B4 F16 N28 -","4","1","","Nacsa, Eric D.; Lambert, Tristan H.","Higher-Order Cyclopropenimine Superbases: Direct Neutral Brønsted Base Catalyzed Michael Reactions with α-Aryl Esters.","Journal of the American Chemical Society","2015","137","32","10246","10253","10.1021/jacs.5b05033","","","0.71073","","","0.0847","0.0564","","","","0.1813","","","","","","1.1312","","","","has coordinates","240158","2020-10-21","18:00:00",""
"4129444","12.4197","0.0009","11.8959","0.0008","30.718","0.002","90","","91.8374","0.001","90","","4536.1","0.5","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H68 B2 F8 N14 -","- C34 H68 B2 F8 N14 -","- C136 H272 B8 F32 N56 -","4","1","","Nacsa, Eric D.; Lambert, Tristan H.","Higher-Order Cyclopropenimine Superbases: Direct Neutral Brønsted Base Catalyzed Michael Reactions with α-Aryl Esters.","Journal of the American Chemical Society","2015","137","32","10246","10253","10.1021/jacs.5b05033","","","0.71073","MoKα","","0.0647","0.0544","","","0.1492","0.1579","","","","","","1.023","","","","has coordinates,has disorder","240159","2020-10-21","18:00:00",""
"4129445","10.006","0.006","19.052","0.012","22.705","0.013","88.313","0.011","87.571","0.008","77.915","0.007","4228","4","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H70 B F4 N9 P2 -","- C35 H70 B F4 N9 P2 -","- C140 H280 B4 F16 N36 P8 -","4","2","","Nacsa, Eric D.; Lambert, Tristan H.","Higher-Order Cyclopropenimine Superbases: Direct Neutral Brønsted Base Catalyzed Michael Reactions with α-Aryl Esters.","Journal of the American Chemical Society","2015","137","32","10246","10253","10.1021/jacs.5b05033","","","0.71073","MoKα","","0.2102","0.1285","","","0.3451","0.3835","","","","","","1.013","","","","has coordinates","240160","2020-10-21","18:00:00",""
"4129446","11.61","0.002","13.349","0.003","14.323","0.003","94.896","0.003","91.124","0.003","114.606","0.003","2007.1","0.7","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H66 B F4 N7 -","- C35 H66 B F4 N7 -","- C70 H132 B2 F8 N14 -","2","1","","Nacsa, Eric D.; Lambert, Tristan H.","Higher-Order Cyclopropenimine Superbases: Direct Neutral Brønsted Base Catalyzed Michael Reactions with α-Aryl Esters.","Journal of the American Chemical Society","2015","137","32","10246","10253","10.1021/jacs.5b05033","","","0.71073","MoKα","","0.0818","0.0611","","","0.1678","0.1858","","","","","","1.048","","","","has coordinates","240161","2020-10-21","18:00:00",""
"4129447","12.4622","0.0019","14.832","0.002","19.373","0.003","90","","108.269","0.002","90","","3400.4","0.9","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H58 B F4 N6 P -","- C29 H58 B F4 N6 P -","- C116 H232 B4 F16 N24 P4 -","4","1","","Nacsa, Eric D.; Lambert, Tristan H.","Higher-Order Cyclopropenimine Superbases: Direct Neutral Brønsted Base Catalyzed Michael Reactions with α-Aryl Esters.","Journal of the American Chemical Society","2015","137","32","10246","10253","10.1021/jacs.5b05033","","","0.71073","MoKα","","0.0815","0.0687","","","0.1577","0.1668","","","","","","1.112","","","","has coordinates","240162","2020-10-21","18:00:00",""
"4129448","23.0752","0.0008","6.2109","0.0002","23.7697","0.0007","90","","107.145","0.002","90","","3255.24","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H61 F O Si -","- C32.9999 H60.9998 F O Si -","- C132 H243.999 F4 O4 Si4 -","4","2","","Sandford, Christopher; Rasappan, Ramesh; Aggarwal, Varinder K.","Synthesis of Enantioenriched Alkylfluorides by the Fluorination of Boronate Complexes.","Journal of the American Chemical Society","2015","137","32","10100","10103","10.1021/jacs.5b05848","","","0.71073","MoKα","","0.1266","0.0683","","","0.1315","0.1597","","","","","","1.01","","","","has coordinates,has disorder","240163","2020-10-21","18:00:00",""
"4129449","8.4839","0.0003","12.674","0.0005","15.0089","0.0006","99.1484","0.0017","90.5395","0.0017","106.952","0.0018","1521.41","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H41 Al I2 N2 -","- C29 H41 Al I2 N2 -","- C58 H82 Al2 I4 N4 -","2","1","","Altman, Alison B.; Pemmaraju, C. D.; Camp, Clément; Arnold, John; Minasian, Stefan G.; Prendergast, David; Shuh, David K.; Tyliszczak, Tolek","Theory and X-ray Absorption Spectroscopy for Aluminum Coordination Complexes ‒ Al K-Edge Studies of Charge and Bonding in (BDI)Al, (BDI)AlR2, and (BDI)AlX2 Complexes.","Journal of the American Chemical Society","2015","137","32","10304","10316","10.1021/jacs.5b05854","","","0.71073","mokα","","0.0151","0.0144","","","0.0343","0.0348","","","","","","0.924","","","","has coordinates","240164","2020-10-21","18:00:00",""
"4129450","5.053","0.002","10.02","0.005","17.645","0.009","90","","90.903","0.007","90","","893.3","0.7","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 O4 S4 -","- C18 H14 O4 S4 -","- C36 H28 O8 S8 -","2","0.5","","Liu, Feng; Espejo, Guzmán L; Qiu, Shuhai; Oliva, María Moreno; Pina, João; Seixas de Melo, J Sérgio; Casado, Juan; Zhu, Xiaozhang","Multifaceted Regioregular Oligo(thieno[3,4-b]thiophene)s Enabled by Tunable Quinoidization and Reduced Energy Band Gap.","Journal of the American Chemical Society","2015","137","32","10357","10366","10.1021/jacs.5b05940","","","0.71073","MoKα","","0.1029","0.0959","","","0.268","0.2792","","","","","","1.232","","","","has coordinates,has disorder","240165","2020-10-21","18:00:00",""
"4129451","10.0579","0.0015","25.425","0.004","22.169","0.004","90","","90","","90","","5669.1","1.6","100","2","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C35 H38 O3 -","- C35 H38 O3 -","- C280 H304 O24 -","8","2","","Koo, Bon Jun; Huynh, Michael; Halbach, Robert L.; Stubbe, JoAnne; Nocera, Daniel G.","Modulation of Phenol Oxidation in Cofacial Dyads.","Journal of the American Chemical Society","2015","137","37","11860","11863","10.1021/jacs.5b05955","","","0.71073","MoKα","","0.1323","0.0607","","","0.1235","0.15","","","","","","0.971","","","","has coordinates","240166","2020-10-21","18:00:00",""
"4129452","20.447","0.003","14.393","0.0019","10.9118","0.0014","90","","90","","90","","3211.3","0.8","100","0.5","100","0.5","","","","","","","","5","P n a 21","P 2c -2n","33","holma05","","","- C36 H53 Co N2 O -","- C36 H53 Co N2 O -","- C144 H212 Co4 N8 O4 -","4","1","","Al-Afyouni, Malik H; Suturina, Elizaveta; Pathak, Shubhrodeep; Atanasov, Mihail; Bill, Eckhard; DeRosha, Daniel E.; Brennessel, William W.; Neese, Frank; Holland, Patrick L.","Spin Isomers and Ligand Isomerization in a Three-Coordinate Cobalt(I) Carbonyl Complex.","Journal of the American Chemical Society","2015","137","33","10689","10699","10.1021/jacs.5b06078","","","0.71073","MoKα","","0.0524","0.0383","","","0.0897","0.096","","","","","","1.014","","","","has coordinates","240167","2020-10-21","18:00:00",""
"4129453","24.114","0.006","24.114","0.006","31.267","0.008","90","","90","","90","","18181","8","120","2","120","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C38 H39 Cl4 F12 N8 P2 Rh2 -","- C38 H39 Cl4 F12 N8 P2 Rh2 -","- C608 H624 Cl64 F192 N128 P32 Rh32 -","16","1","","Kotani, Hiroaki; Sugiyama, Takumi; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Redox-Noninnocent Behavior of Tris(2-pyridylmethyl)amine Bound to a Lewis Acidic Rh(III) Ion Induced by C-H Deprotonation.","Journal of the American Chemical Society","2015","137","35","11222","11225","10.1021/jacs.5b06237","","","0.71073","MoKα","","0.0459","0.04","","","0.1073","0.112","","","","","","1.046","","","","has coordinates,has disorder","240168","2020-10-21","18:00:00",""
"4129454","10.6249","0.0018","24.156","0.004","28.702","0.005","90","","91.072","0.002","90","","7365","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl2 N4 Rh -","- C18 H17 Cl2 N4 Rh -","- C216 H204 Cl24 N48 Rh12 -","12","3","","Kotani, Hiroaki; Sugiyama, Takumi; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Redox-Noninnocent Behavior of Tris(2-pyridylmethyl)amine Bound to a Lewis Acidic Rh(III) Ion Induced by C-H Deprotonation.","Journal of the American Chemical Society","2015","137","35","11222","11225","10.1021/jacs.5b06237","","","0.71073","MoKα","","0.0767","0.0572","","","0.1427","0.1498","","","","","","1.06","","","","has coordinates,has disorder","240169","2020-10-21","18:00:00",""
"4129455","27.044","0.004","37.9","0.006","12.5753","0.0018","90","","90","","90","","12889","3","120","2","120","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl2 F6 N4 O6 P Rh -","- C24 H24 Cl2 F6 N4 O6 P Rh -","- C384 H384 Cl32 F96 N64 O96 P16 Rh16 -","16","2","","Kotani, Hiroaki; Sugiyama, Takumi; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Redox-Noninnocent Behavior of Tris(2-pyridylmethyl)amine Bound to a Lewis Acidic Rh(III) Ion Induced by C-H Deprotonation.","Journal of the American Chemical Society","2015","137","35","11222","11225","10.1021/jacs.5b06237","","","0.71073","MoKα","","0.0454","0.0397","","","0.1026","0.1059","","","","","","1.037","","","","has coordinates,has disorder","240170","2020-10-21","18:00:00",""
"4129456","10.563","0.012","13.746","0.015","10.995","0.012","90","","113.422","0.013","90","","1465","3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H36 N2 O7 -","- C30 H36 N2 O7 -","- C60 H72 N4 O14 -","2","1","","Wang, Xuan; Wang, Shulin; Xue, Weichao; Gong, Hegui","Nickel-Catalyzed Reductive Coupling of Aryl Bromides with Tertiary Alkyl Halides.","Journal of the American Chemical Society","2015","137","36","11562","11565","10.1021/jacs.5b06255","","","0.71073","MoKα","","0.0444","0.0364","","","0.0812","0.0861","","","","","","1.032","","","","has coordinates","240171","2020-10-21","18:00:00",""
"4129457","6.7684","0.0001","12.2666","0.0002","16.8092","0.0004","90.621","0.002","90.875","0.002","101.44","0.002","1367.57","0.05","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H48 O4 -","- C32 H48 O4 -","- C64 H96 O8 -","2","1","","Camelio, Andrew M.; Johnson, Trevor C.; Siegel, Dionicio","Total Synthesis of Celastrol, Development of a Platform to Access Celastroid Natural Products.","Journal of the American Chemical Society","2015","137","37","11864","11867","10.1021/jacs.5b06261","","","1.54184","CuKα","","0.0437","0.0409","","","0.11","0.1116","","","","","","1.055","","","","has coordinates","240172","2020-10-21","18:00:00",""
"4129458","15.2493","0.0006","7.6076","0.0003","20.7445","0.0008","90","","98.244","0.001","90","","2381.71","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 O3 -","- C29 H42 O3 -","- C116 H168 O12 -","4","1","","Camelio, Andrew M.; Johnson, Trevor C.; Siegel, Dionicio","Total Synthesis of Celastrol, Development of a Platform to Access Celastroid Natural Products.","Journal of the American Chemical Society","2015","137","37","11864","11867","10.1021/jacs.5b06261","","","0.71073","MoKα","","0.0482","0.0409","","","0.1029","0.107","","","","","","1.04","","","","has coordinates","240173","2020-10-21","18:00:00",""
"4129459","6.2235","0.0006","16.6092","0.0017","16.7213","0.0017","90","","90","","90","","1728.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Cl N2 O3 -","- C19 H15 Cl N2 O3 -","- C76 H60 Cl4 N8 O12 -","4","1","","Li, Jun; Huang, Rong; Xing, Yi-Kang; Qiu, Guofu; Tao, Hai-Yan; Wang, Chun-Jiang","Catalytic Asymmetric Cascade Vinylogous Mukaiyama 1,6-Michael/Michael Addition of 2-Silyloxyfurans with Azoalkenes: Direct Approach to Fused Butyrolactones.","Journal of the American Chemical Society","2015","137","32","10124","10127","10.1021/jacs.5b06509","","","0.71073","MoKα","","0.0424","0.0318","","","0.0632","0.0685","","","","","","1.017","","","","has coordinates","240174","2020-10-21","18:00:00",""
"4129460","17.5404","0.0007","17.5404","0.0007","29.3347","0.0008","90","","90","","90","","9025.3","0.6","123","0.1","123","0.1","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C69.6 H80 Br4 F11.2 I2.8 N4 O14 -","- C69.6 H80 Br4 F11.2 I2.8 N4 O14 -","- C278.4 H320 Br16 F44.8 I11.2 N16 O56 -","4","0.25","","Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari","Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures.","Journal of the American Chemical Society","2015","137","32","10406","10413","10.1021/jacs.5b06590","","x-ray","1.54184","CuKα","","0.1422","0.1213","","","0.3027","0.3226","","","","","","1.039","","","","has coordinates,has disorder","240175","2020-10-21","18:00:00",""
"4129461","12.402","0.0002","22.5922","0.0003","33.1865","0.0006","77.6713","0.0014","89.4968","0.0015","82.941","0.0014","9013.7","0.3","123.01","0.1","123.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C77 H121 Br4 Cl3 F8 I2 N4 O10 -","- C77 H121 Br4 Cl3 F8 I2 N4 O10 -","- C308 H484 Br16 Cl12 F32 I8 N16 O40 -","4","2","","Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari","Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures.","Journal of the American Chemical Society","2015","137","32","10406","10413","10.1021/jacs.5b06590","","x-ray","1.54184","CuKα","","0.0624","0.0527","","","0.1364","0.1452","","","","","","1.025","","","","has coordinates,has disorder","240176","2020-10-21","18:00:00",""
"4129462","15.6129","0.0007","17.9004","0.0005","18.7393","0.0006","85.882","0.003","82.9","0.003","80.848","0.003","5123.6","0.3","123","0.02","123","0.02","","","","","","","","7","P -1","-P 1","2","","","","- C176 H202 Br8 F40 I10 N8 O23 -","- C176 H202 Br8 F40 I10 N8 O23 -","- C176 H202 Br8 F40 I10 N8 O23 -","1","0.5","","Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari","Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures.","Journal of the American Chemical Society","2015","137","32","10406","10413","10.1021/jacs.5b06590","","","1.54184","CuKα","","0.1166","0.097","","","0.2765","0.2961","","","","","","1.015","","","","has coordinates,has disorder","240177","2020-10-21","18:00:00",""
"4129463","18.2858","0.0013","18.2858","0.0013","29.8612","0.0009","90","","90","","90","","9984.7","1","123","0.1","123","0.1","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C76 H98 Br4 F8 I4 N4 O14 -","- C76 H98 Br4 F8 I4 N4 O14 -","- C304 H392 Br16 F32 I16 N16 O56 -","4","0.25","","Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari","Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures.","Journal of the American Chemical Society","2015","137","32","10406","10413","10.1021/jacs.5b06590","","x-ray","1.54184","CuKα","","0.3203","0.2404","","","0.5631","0.6355","","","","","","1.602","","","","has coordinates,has disorder","240178","2020-10-21","18:00:00",""
"4129464","24.2579","0.0012","25.5595","0.0012","30.1104","0.0011","90","","90","","90","","18669","1.4","123","0.1","123","0.1","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C73.3 H112 Br4 F7.88 I2.4 N4 O14 -","- C73.2996 H111.999 Br4 F7.88 I2.4 N4 O13.9998 -","- C586.397 H895.994 Br32 F63.04 I19.2 N32 O111.998 -","8","0.5","","Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari","Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures.","Journal of the American Chemical Society","2015","137","32","10406","10413","10.1021/jacs.5b06590","","x-ray","1.54184","CuKα","","0.1662","0.1279","","","0.3136","0.3422","","","","","","1.102","","","","has coordinates,has disorder","240179","2020-10-21","18:00:00",""
"4129465","12.2852","0.0004","20.8278","0.0008","22.1139","0.001","63.822","0.004","88.73","0.003","74.389","0.003","4860","0.4","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C80 H126 Br4 F12 I3 N4 O11.5 -","- C80 H126 Br4 F12 I3 N4 O11.5 -","- C160 H252 Br8 F24 I6 N8 O23 -","2","1","","Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari","Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures.","Journal of the American Chemical Society","2015","137","32","10406","10413","10.1021/jacs.5b06590","","x-ray","1.54184","CuKα","","0.1187","0.0697","","","0.1641","0.2061","","","","","","1.03","","","","has coordinates,has disorder","240180","2020-10-21","18:00:00",""
"4129466","14.922","0.003","21.309","0.004","22.714","0.004","77.487","0.003","80.874","0.003","71.734","0.003","6663","2","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","neibs06","","","- C74.75 H101.66 Fe O0.25 P2 -","- C74.75 H101.66 Fe O0.25 P2 -","- C299 H406.64 Fe4 O P8 -","4","2","","Daifuku, Stephanie L.; Kneebone, Jared L.; Snyder, Benjamin E. R.; Neidig, Michael L.","Iron(II) Active Species in Iron-Bisphosphine Catalyzed Kumada and Suzuki-Miyaura Cross-Couplings of Phenyl Nucleophiles and Secondary Alkyl Halides.","Journal of the American Chemical Society","2015","137","35","11432","11444","10.1021/jacs.5b06648","","","0.71073","MoKα","","0.2742","0.088","","","0.1455","0.2103","","","","","","0.931","","","","has coordinates,has disorder","240181","2020-10-21","18:00:00",""
"4129467","31.239","0.007","14.82","0.004","15.184","0.004","90","","90","","90","","7030","3","100","0.5","100","0.5","","","","","","","","6","P n a 21","P 2c -2n","33","neijk42","","","- C72 H103 Br Fe O P2 -","- C72 H103 Br Fe O P2 -","- C288 H412 Br4 Fe4 O4 P8 -","4","1","","Daifuku, Stephanie L.; Kneebone, Jared L.; Snyder, Benjamin E. R.; Neidig, Michael L.","Iron(II) Active Species in Iron-Bisphosphine Catalyzed Kumada and Suzuki-Miyaura Cross-Couplings of Phenyl Nucleophiles and Secondary Alkyl Halides.","Journal of the American Chemical Society","2015","137","35","11432","11444","10.1021/jacs.5b06648","","","0.71073","MoKα","","0.1208","0.0624","","","0.1059","0.1258","","","","","","1.007","","","","has coordinates,has disorder","240182","2020-10-21","18:00:00",""
"4129468","18.1308","0.0009","19.2458","0.001","18.6533","0.001","90","","115.227","0.0006","90","","5888.1","0.5","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 B Br N O5 S -","- C25 H31 B Br N O5 S -","- C200 H248 B8 Br8 N8 O40 S8 -","8","2","","Chong, Eugene; Blum, Suzanne A.","Aminoboration: Addition of B-N σ Bonds across C-C π Bonds.","Journal of the American Chemical Society","2015","137","32","10144","10147","10.1021/jacs.5b06678","","","0.71073","MoKα","","0.048","0.0344","","","0.0832","0.0882","","","","","","1.041","","","","has coordinates,has disorder","240183","2020-10-21","18:00:00",""
"4129469","4.9606","0.0002","13.7482","0.0005","26.0232","0.001","90","","93.286","0.0016","90","","1771.85","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N3 O S -","- C21 H17 N3 O S -","- C84 H68 N12 O4 S4 -","4","1","","Arjona-Esteban, Alhama; Krumrain, Julian; Liess, Andreas; Stolte, Matthias; Huang, Lizhen; Schmidt, David; Stepanenko, Vladimir; Gsänger, Marcel; Hertel, Dirk; Meerholz, Klaus; Würthner, Frank","Influence of Solid-State Packing of Dipolar Merocyanine Dyes on Transistor and Solar Cell Performances.","Journal of the American Chemical Society","2015","137","42","13524","13534","10.1021/jacs.5b06722","","","1.54178","CuKα","","0.0401","0.033","","","0.0784","0.0849","","","","","","1.041","","","","has coordinates","240184","2020-10-21","18:00:00",""
"4129470","18.0569","0.0008","4.7287","0.0002","24.2655","0.0011","90","","97.157","0.002","90","","2055.78","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N3 O S -","- C25 H19 N3 O S -","- C100 H76 N12 O4 S4 -","4","1","","Arjona-Esteban, Alhama; Krumrain, Julian; Liess, Andreas; Stolte, Matthias; Huang, Lizhen; Schmidt, David; Stepanenko, Vladimir; Gsänger, Marcel; Hertel, Dirk; Meerholz, Klaus; Würthner, Frank","Influence of Solid-State Packing of Dipolar Merocyanine Dyes on Transistor and Solar Cell Performances.","Journal of the American Chemical Society","2015","137","42","13524","13534","10.1021/jacs.5b06722","","","1.54178","CuKα","","0.0372","0.033","","","0.0866","0.09","","","","","","1.032","","","","has coordinates","240185","2020-10-21","18:00:00",""
"4129471","16.4756","0.0018","18.589","0.002","13.4659","0.0015","90","","99.895","0.001","90","","4062.8","0.8","168","2","168","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 N3 O2 -","- C25 H19 N3 O2 -","- C200 H152 N24 O16 -","8","1","","Arjona-Esteban, Alhama; Krumrain, Julian; Liess, Andreas; Stolte, Matthias; Huang, Lizhen; Schmidt, David; Stepanenko, Vladimir; Gsänger, Marcel; Hertel, Dirk; Meerholz, Klaus; Würthner, Frank","Influence of Solid-State Packing of Dipolar Merocyanine Dyes on Transistor and Solar Cell Performances.","Journal of the American Chemical Society","2015","137","42","13524","13534","10.1021/jacs.5b06722","","","0.71073","MoKα","","0.041","0.0371","","","0.094","0.0975","","","","","","1.057","","","","has coordinates","240186","2020-10-21","18:00:00",""
"4129472","18.1452","0.0008","4.7127","0.0002","24.4115","0.0011","90","","96.521","0.001","90","","2073.99","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N3 O Se -","- C25 H19 N3 O Se -","- C100 H76 N12 O4 Se4 -","4","1","","Arjona-Esteban, Alhama; Krumrain, Julian; Liess, Andreas; Stolte, Matthias; Huang, Lizhen; Schmidt, David; Stepanenko, Vladimir; Gsänger, Marcel; Hertel, Dirk; Meerholz, Klaus; Würthner, Frank","Influence of Solid-State Packing of Dipolar Merocyanine Dyes on Transistor and Solar Cell Performances.","Journal of the American Chemical Society","2015","137","42","13524","13534","10.1021/jacs.5b06722","","","1.54178","CuKα","","0.0241","0.0237","","","0.0649","0.0653","","","","","","1.066","","","","has coordinates","240187","2020-10-21","18:00:00",""
"4129473","8.0089","0.0014","10.4457","0.0017","14.951","0.003","106.069","0.002","103.4","0.002","100.605","0.002","1127.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N3 O -","- C27 H27 N3 O -","- C54 H54 N6 O2 -","2","1","","Arjona-Esteban, Alhama; Krumrain, Julian; Liess, Andreas; Stolte, Matthias; Huang, Lizhen; Schmidt, David; Stepanenko, Vladimir; Gsänger, Marcel; Hertel, Dirk; Meerholz, Klaus; Würthner, Frank","Influence of Solid-State Packing of Dipolar Merocyanine Dyes on Transistor and Solar Cell Performances.","Journal of the American Chemical Society","2015","137","42","13524","13534","10.1021/jacs.5b06722","","","0.71073","MoKα","","0.0907","0.0781","","","0.1912","0.201","","","","","","1.118","","","","has coordinates,has disorder","240188","2020-10-21","18:00:00",""
"4129474","10.419","0.0007","21.2112","0.0014","11.856","0.0009","90","","95.93","0.002","90","","2606.1","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 Ni O2 P2 -","- C24 H48 Ni O2 P2 -","- C96 H192 Ni4 O8 P8 -","4","1","","Desnoyer, Addison N.; Bowes, Eric G.; Patrick, Brian O.; Love, Jennifer A.","Synthesis of 2-Nickela(II)oxetanes from Nickel(0) and Epoxides: Structure, Reactivity, and a New Mechanism of Formation.","Journal of the American Chemical Society","2015","137","40","12748","12751","10.1021/jacs.5b06735","","x-ray","0.71073","MoKα","","0.0482","0.0332","","","0.0768","0.0831","","","","","","1.022","","","","has coordinates,has disorder","240189","2020-10-21","18:00:00",""
"4129475","11.1398","0.0008","16.7554","0.0012","15.4593","0.0011","90","","110.118","0.002","90","","2709.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H52 Ni O2 P2 -","- C24 H52 Ni O2 P2 -","- C96 H208 Ni4 O8 P8 -","4","1","","Desnoyer, Addison N.; Bowes, Eric G.; Patrick, Brian O.; Love, Jennifer A.","Synthesis of 2-Nickela(II)oxetanes from Nickel(0) and Epoxides: Structure, Reactivity, and a New Mechanism of Formation.","Journal of the American Chemical Society","2015","137","40","12748","12751","10.1021/jacs.5b06735","","x-ray","0.71073","MoKα","","0.047","0.0313","","","0.0687","0.0746","","","","","","1.019","","","","has coordinates","240189","2020-10-21","18:00:00",""
"4129476","16.124","0.003","8.7411","0.0016","19.627","0.004","90","","103.322","0.004","90","","2691.8","0.9","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H50 Ni O2 P2 -","- C25 H50 Ni O2 P2 -","- C100 H200 Ni4 O8 P8 -","4","1","","Desnoyer, Addison N.; Bowes, Eric G.; Patrick, Brian O.; Love, Jennifer A.","Synthesis of 2-Nickela(II)oxetanes from Nickel(0) and Epoxides: Structure, Reactivity, and a New Mechanism of Formation.","Journal of the American Chemical Society","2015","137","40","12748","12751","10.1021/jacs.5b06735","","x-ray","0.71073","MoKα","","0.0522","0.0332","","","0.0703","0.0768","","","","","","1.015","","","","has coordinates","240189","2020-10-21","18:00:00",""
"4129477","16.0749","0.0015","20.0552","0.0017","16.182","0.0013","90","","102.859","0.003","90","","5086","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 Ni O P2 -","- C24 H48 Ni O P2 -","- C192 H384 Ni8 O8 P16 -","8","2","","Desnoyer, Addison N.; Bowes, Eric G.; Patrick, Brian O.; Love, Jennifer A.","Synthesis of 2-Nickela(II)oxetanes from Nickel(0) and Epoxides: Structure, Reactivity, and a New Mechanism of Formation.","Journal of the American Chemical Society","2015","137","40","12748","12751","10.1021/jacs.5b06735","","x-ray","0.71073","MoKα","","0.0683","0.045","","","0.0908","0.1017","","","","","","1.061","","","","has coordinates,has disorder","240189","2020-10-21","18:00:00",""
"4129478","15.5113","0.0017","21.773","0.002","17.3548","0.0019","90","","90","","90","","5861.2","1.1","90","2","90","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H46 D3 Ni O3 P2 -","- C28 H46 D3 Ni O3 P2 -","- C224 H368 D24 Ni8 O24 P16 -","8","1","","Desnoyer, Addison N.; Bowes, Eric G.; Patrick, Brian O.; Love, Jennifer A.","Synthesis of 2-Nickela(II)oxetanes from Nickel(0) and Epoxides: Structure, Reactivity, and a New Mechanism of Formation.","Journal of the American Chemical Society","2015","137","40","12748","12751","10.1021/jacs.5b06735","","x-ray","0.71073","MoKα","","0.1292","0.0827","","","0.1937","0.2166","","","","","","1.115","","","","has coordinates","240189","2020-10-21","18:00:00",""
"4129479","10.0831","0.0003","15.9696","0.0006","12.6575","0.0004","90","","107.508","0.002","90","","1943.73","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","JES7-001-01","","","- C22 H26 F N O S -","- C22 H26 F N O S -","- C88 H104 F4 N4 O4 S4 -","4","1","","Spangler, Jillian E.; Kobayashi, Yoshihisa; Verma, Pritha; Wang, Dong-Hui; Yu, Jin-Quan","α-Arylation of Saturated Azacycles and N-Methylamines via Palladium(II)-Catalyzed C(sp(3))-H Coupling.","Journal of the American Chemical Society","2015","137","37","11876","11879","10.1021/jacs.5b06740","","","1.54178","CuKα","","0.0322","0.0301","","","0.0771","0.0786","","","","","","1.03","","","","has coordinates","240190","2020-10-21","18:00:00",""
"4129480","10.2208","0.0003","23.966","0.0009","11.4286","0.0004","90","","91.7114","0.0016","90","","2798.21","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56.33 H58.66 Co2 N8 O12 -","- C56.314 H58.628 Co2 N8 O12 -","- C112.628 H117.256 Co4 N16 O24 -","2","1","","Zhang, Shi-Yuan; Wojtas, Lukasz; Zaworotko, Michael J.","Structural Insight into Guest Binding Sites in a Porous Homochiral Metal-Organic Material.","Journal of the American Chemical Society","2015","137","37","12045","12049","10.1021/jacs.5b06760","","","1.54178","CuKα","","0.0782","0.0741","","","0.1843","0.1867","","","","","","1.152","","","","has coordinates","240191","2020-10-21","18:00:00",""
"4129481","10.2416","0.0006","24.956","0.0015","11.4453","0.0007","90","","91.106","0.003","90","","2924.8","0.3","100","2","100.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60.4 H50 Co2 N10.4 O16.8 -","- C60.436 H50.03 Co2 N10.406 O16.812 -","- C120.872 H100.06 Co4 N20.812 O33.624 -","2","1","","Zhang, Shi-Yuan; Wojtas, Lukasz; Zaworotko, Michael J.","Structural Insight into Guest Binding Sites in a Porous Homochiral Metal-Organic Material.","Journal of the American Chemical Society","2015","137","37","12045","12049","10.1021/jacs.5b06760","","","1.54178","CuKα","","0.0862","0.084","","","0.2","0.2012","","","","","","1.014","","","","has coordinates,has disorder","240192","2020-10-21","18:00:00",""
"4129482","11.4463","0.0003","24.6528","0.0007","20.3256","0.0006","90","","92.6948","0.0013","90","","5729.2","0.3","100","2","99.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C113.82 H103.53 Co4 N16 O27.87 -","- C113.825 H103.533 Co4 N16 O27.869 -","- C227.65 H207.066 Co8 N32 O55.738 -","2","1","","Zhang, Shi-Yuan; Wojtas, Lukasz; Zaworotko, Michael J.","Structural Insight into Guest Binding Sites in a Porous Homochiral Metal-Organic Material.","Journal of the American Chemical Society","2015","137","37","12045","12049","10.1021/jacs.5b06760","","","1.54178","CuKα","","0.0709","0.0579","","","0.1452","0.1529","","","","","","1.014","","","","has coordinates,has disorder","240193","2020-10-21","18:00:00",""
"4129483","10.2292","0.0003","24.7002","0.0007","11.4243","0.0003","90","","90.087","0.0016","90","","2886.5","0.14","100","2","100.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55.18 H45.65 Co2 N9.53 O15.06 -","- C55.162 H45.635 Co2 N9.527 O15.054 -","- C110.324 H91.27 Co4 N19.054 O30.108 -","2","1","","Zhang, Shi-Yuan; Wojtas, Lukasz; Zaworotko, Michael J.","Structural Insight into Guest Binding Sites in a Porous Homochiral Metal-Organic Material.","Journal of the American Chemical Society","2015","137","37","12045","12049","10.1021/jacs.5b06760","","","1.54178","CuKα","","0.0844","0.0751","","","0.1967","0.2036","","","","","","1.088","","","","has coordinates,has disorder","240194","2020-10-21","18:00:00",""
"4129484","11.4393","0.0002","24.6749","0.0005","20.3245","0.0004","90","","92.3471","0.0006","90","","5732.05","0.19","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C115.49 H106.92 Cl1.18 Co4 N16 O26.88 -","- C115.494 H106.918 Cl1.178 Co4 N16 O26.88 -","- C230.988 H213.836 Cl2.356 Co8 N32 O53.76 -","2","1","","Zhang, Shi-Yuan; Wojtas, Lukasz; Zaworotko, Michael J.","Structural Insight into Guest Binding Sites in a Porous Homochiral Metal-Organic Material.","Journal of the American Chemical Society","2015","137","37","12045","12049","10.1021/jacs.5b06760","","","1.54178","CuKα","","0.0526","0.0421","","","0.1026","0.1077","","","","","","1.02","","","","has coordinates,has disorder","240195","2020-10-21","18:00:00",""
"4129485","7.786","0.003","8.962","0.003","18.708","0.006","96.988","0.005","90.855","0.007","95.807","0.008","1288.6","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 N O3 Si -","- C30 H33 N O3 Si -","- C60 H66 N2 O6 Si2 -","2","1","","Bag, Sukdev; Patra, Tuhin; Modak, Atanu; Deb, Arghya; Maity, Soham; Dutta, Uttam; Dey, Aniruddha; Kancherla, Rajesh; Maji, Arun; Hazra, Avijit; Bera, Milan; Maiti, Debabrata","Remote para-C-H Functionalization of Arenes by a D-Shaped Biphenyl Template-Based Assembly.","Journal of the American Chemical Society","2015","137","37","11888","11891","10.1021/jacs.5b06793","","","0.71075","MoKα","","0.0591","0.0488","","","0.1357","0.1421","","","","","","1","","","","has coordinates","240196","2020-10-21","18:00:00",""
"4129486","8.141","0.009","13.181","0.016","15.7","0.019","108.57","0.012","97.796","0.017","95.061","0.017","1567","3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H43 N O3 Si -","- C35 H43 N O3.027 Si -","- C70 H86 N2 O6.054 Si2 -","2","1","","Bag, Sukdev; Patra, Tuhin; Modak, Atanu; Deb, Arghya; Maity, Soham; Dutta, Uttam; Dey, Aniruddha; Kancherla, Rajesh; Maji, Arun; Hazra, Avijit; Bera, Milan; Maiti, Debabrata","Remote para-C-H Functionalization of Arenes by a D-Shaped Biphenyl Template-Based Assembly.","Journal of the American Chemical Society","2015","137","37","11888","11891","10.1021/jacs.5b06793","","","0.7107","MoKα","","0.1783","0.1368","","","0.2756","0.3001","","","","","","1.229","","","","has coordinates,has disorder","240197","2020-10-21","18:00:00",""
"4129487","7.82","0.005","12.203","0.006","16.271","0.012","94.02","0.06","103.1","0.07","103.67","0.07","1456.9","1.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H39 N O3 Si -","- C33 N O3 Si -","- C66 N2 O6 Si2 -","2","1","","Bag, Sukdev; Patra, Tuhin; Modak, Atanu; Deb, Arghya; Maity, Soham; Dutta, Uttam; Dey, Aniruddha; Kancherla, Rajesh; Maji, Arun; Hazra, Avijit; Bera, Milan; Maiti, Debabrata","Remote para-C-H Functionalization of Arenes by a D-Shaped Biphenyl Template-Based Assembly.","Journal of the American Chemical Society","2015","137","37","11888","11891","10.1021/jacs.5b06793","","","1.54187","CuKα","","0.1589","0.1457","","","0.4045","0.4279","","","","","","1.63","","","","has coordinates","240198","2020-10-21","18:00:00",""
"4129488","47.214","0.007","12.7204","0.0019","23.732","0.004","90","","102.646","0.002","90","","13907","4","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","holtd02","","","- C70 H111 Fe2 N4 Na O3 S -","- C69.996 H110.992 Fe2 N4 Na O2.999 S -","- C559.968 H887.936 Fe16 N32 Na8 O23.992 S8 -","8","1","","Arnet, Nicholas A.; Dugan, Thomas R.; Menges, Fabian S.; Mercado, Brandon Q.; Brennessel, William W.; Bill, Eckhard; Johnson, Mark A.; Holland, Patrick L.","Synthesis, Characterization, and Nitrogenase-Relevant Reactions of an Iron Sulfide Complex with a Bridging Hydride.","Journal of the American Chemical Society","2015","137","41","13220","13223","10.1021/jacs.5b06841","","","0.71073","MoKα","","0.0994","0.0588","","","0.1477","0.1695","","","","","","1.046","","","","has coordinates,has disorder","240199","2020-10-21","18:00:00",""
"4129489","13.876","0.002","15.61","0.003","20.119","0.003","87.134","0.003","87.195","0.003","76.886","0.003","4235.7","1.2","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","holna06","","","- C84 H139 Fe2 N6 Na O8 S -","- C84 H139 Fe2 N6 Na O8 S -","- C168 H278 Fe4 N12 Na2 O16 S2 -","2","1","","Arnet, Nicholas A.; Dugan, Thomas R.; Menges, Fabian S.; Mercado, Brandon Q.; Brennessel, William W.; Bill, Eckhard; Johnson, Mark A.; Holland, Patrick L.","Synthesis, Characterization, and Nitrogenase-Relevant Reactions of an Iron Sulfide Complex with a Bridging Hydride.","Journal of the American Chemical Society","2015","137","41","13220","13223","10.1021/jacs.5b06841","","","0.71073","MoKα","","0.1345","0.069","","","0.1471","0.173","","","","","","1.032","","","","has coordinates","240199","2020-10-21","18:00:00",""
"4129490","13.2765","0.0007","17.6732","0.001","19.26","0.0014","94.225","0.007","94.85","0.007","95.622","0.007","4466","0.5","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C93 H141 Fe2 N6 Na O8 S -","- C93 H141 Fe2 N6 Na O8 S -","- C186 H282 Fe4 N12 Na2 O16 S2 -","2","1","","Arnet, Nicholas A.; Dugan, Thomas R.; Menges, Fabian S.; Mercado, Brandon Q.; Brennessel, William W.; Bill, Eckhard; Johnson, Mark A.; Holland, Patrick L.","Synthesis, Characterization, and Nitrogenase-Relevant Reactions of an Iron Sulfide Complex with a Bridging Hydride.","Journal of the American Chemical Society","2015","137","41","13220","13223","10.1021/jacs.5b06841","","","1.54187","CuKα","","0.2229","0.0811","","","0.1174","0.1575","","","","","","0.89","","","","has coordinates","240199","2020-10-21","18:00:00",""
"4129491","12.7769","0.0003","13.07","0.0003","13.5779","0.001","104.326","0.007","110.612","0.008","94.734","0.007","2020","0.2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H119 Fe2 N6 Na O8 S -","- C77 H119 Fe2 N6 Na O8 S -","- C77 H119 Fe2 N6 Na O8 S -","1","0.5","","Arnet, Nicholas A.; Dugan, Thomas R.; Menges, Fabian S.; Mercado, Brandon Q.; Brennessel, William W.; Bill, Eckhard; Johnson, Mark A.; Holland, Patrick L.","Synthesis, Characterization, and Nitrogenase-Relevant Reactions of an Iron Sulfide Complex with a Bridging Hydride.","Journal of the American Chemical Society","2015","137","41","13220","13223","10.1021/jacs.5b06841","","","0.71075","MoKα","","0.0999","0.0905","","","0.2281","0.2329","","","","","","1.151","","","","has coordinates,has disorder","240199","2020-10-21","18:00:00",""
"4129492","9.2945","0.0002","10.7341","0.0003","20.5843","0.0005","81.128","0.002","85.617","0.002","85.953","0.002","2019.55","0.09","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H56 N P3 Ti -","- C45 H56 N P3 Ti -","- C90 H112 N2 P6 Ti2 -","2","1","","Kamitani, Masahiro; Pinter, Balazs; Searles, Keith; Crestani, Marco G.; Hickey, Anne; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Phosphinoalkylidene and -alkylidyne Complexes of Titanium: Intermolecular C-H Bond Activation and Dehydrogenation Reactions.","Journal of the American Chemical Society","2015","137","37","11872","11875","10.1021/jacs.5b06973","","","0.71073","MoKα","","0.0923","0.052","","","0.1151","0.1332","","","","","","1.027","","","","has coordinates","240200","2020-10-21","18:00:00",""
"4129493","12.0451","0.0003","12.2244","0.0003","33.1063","0.0008","90.733","0.002","92.266","0.002","100.574","0.002","4787.2","0.2","100","1","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C46 H65 F3 N O3 P3 S Ti -","- C46 H65 F3 N O3 P3 S Ti -","- C184 H260 F12 N4 O12 P12 S4 Ti4 -","4","2","","Kamitani, Masahiro; Pinter, Balazs; Searles, Keith; Crestani, Marco G.; Hickey, Anne; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Phosphinoalkylidene and -alkylidyne Complexes of Titanium: Intermolecular C-H Bond Activation and Dehydrogenation Reactions.","Journal of the American Chemical Society","2015","137","37","11872","11875","10.1021/jacs.5b06973","","","0.71073","MoKα","","0.0747","0.0591","","","0.1244","0.1299","","","","","","1.186","","","","has coordinates","240201","2020-10-21","18:00:00",""
"4129494","18.241","0.002","18.241","0.002","6.5002","0.0016","90","","90","","120","","1873.1","0.5","150","","150","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C33 H39 N9 O9 S3 -","- C33 H39 N9 O9 S3 -","- C66 H78 N18 O18 S6 -","2","0.333333","","Foster, Jamie S.; Żurek, Justyna M; Almeida, Nuno M. S.; Hendriksen, Wouter E.; le Sage, Vincent A. A.; Lakshminarayanan, Vasudevan; Thompson, Amber L.; Banerjee, Rahul; Eelkema, Rienk; Mulvana, Helen; Paterson, Martin J.; van Esch, Jan H.; Lloyd, Gareth O.","Gelation Landscape Engineering Using a Multi-Reaction Supramolecular Hydrogelator System.","Journal of the American Chemical Society","2015","137","45","14236","14239","10.1021/jacs.5b06988","","","1.5418","CuKα","","0.0791","0.0601","","0.1737","0.1528","0.1737","","","","","","0.9566","","","","has coordinates","240202","2020-10-21","18:00:00",""
"4129495","13.8028","0.0005","15.1095","0.0005","15.4786","0.0005","70.541","0.003","66.375","0.003","88.032","0.003","2770.19","0.19","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N6 O7 -","- C31 H28 N6 O7 -","- C124 H112 N24 O28 -","4","2","","Foster, Jamie S.; Żurek, Justyna M; Almeida, Nuno M. S.; Hendriksen, Wouter E.; le Sage, Vincent A. A.; Lakshminarayanan, Vasudevan; Thompson, Amber L.; Banerjee, Rahul; Eelkema, Rienk; Mulvana, Helen; Paterson, Martin J.; van Esch, Jan H.; Lloyd, Gareth O.","Gelation Landscape Engineering Using a Multi-Reaction Supramolecular Hydrogelator System.","Journal of the American Chemical Society","2015","137","45","14236","14239","10.1021/jacs.5b06988","","","1.5418","CuKα","","0.0426","0.0401","","0.1088","0.1068","0.1088","","","","","","0.9988","","","","has coordinates","240202","2020-10-21","18:00:00",""
"4129496","9.1843","0.0003","10.2725","0.0003","18.8705","0.0006","90","","90","","90","","1780.35","0.1","147","2","147","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N O2 P -","- C22 H18 N O2 P -","- C88 H72 N4 O8 P4 -","4","1","","Lee, Ansoo; Kim, Hyunwoo","Rhodium-Catalyzed Asymmetric 1,4-Addition of α,β-Unsaturated Imino Esters Using Chiral Bicyclic Bridgehead Phosphoramidite Ligands.","Journal of the American Chemical Society","2015","137","35","11250","11253","10.1021/jacs.5b07034","","","1.54178","CuKα","","0.0267","0.0261","","","0.07","0.0703","","","","","","1.09","","","","has coordinates","240203","2020-10-21","18:00:00",""
"4129497","16.054","0.009","10.101","0.006","25.826","0.014","90","","98.59","0.04","90","","4141","4","120","2","120","2","","","","","","","","5","P 1 2 1","P 2y","3","","","","- C21 H26 N2 O5 S -","- C21 H26 N2 O5 S -","- C168 H208 N16 O40 S8 -","8","4","","Lee, Ansoo; Kim, Hyunwoo","Rhodium-Catalyzed Asymmetric 1,4-Addition of α,β-Unsaturated Imino Esters Using Chiral Bicyclic Bridgehead Phosphoramidite Ligands.","Journal of the American Chemical Society","2015","137","35","11250","11253","10.1021/jacs.5b07034","","","0.71073","MoKα","","0.2727","0.1269","","","0.2874","0.3825","","","","","","0.98","","","","has coordinates","240204","2020-10-21","18:00:00",""
"4129498","9.0398","0.0005","9.0398","0.0005","39.273","0.0019","90","","90","","120","","2779.3","0.3","147","2","147","2","","","","","","","","5","P 65","P 65","170","","","","- C23 H20 N O2 P -","- C23 H20 N O2 P -","- C138 H120 N6 O12 P6 -","6","1","","Lee, Ansoo; Kim, Hyunwoo","Rhodium-Catalyzed Asymmetric 1,4-Addition of α,β-Unsaturated Imino Esters Using Chiral Bicyclic Bridgehead Phosphoramidite Ligands.","Journal of the American Chemical Society","2015","137","35","11250","11253","10.1021/jacs.5b07034","","","0.71073","MoKα","","0.0319","0.0302","","","0.0709","0.0716","","","","","","1.07","","","","has coordinates","240205","2020-10-21","18:00:00",""
"4129499","35.934","0.0008","35.934","0.0008","35.934","0.0008","90","","90","","90","","46399.9","1.8","250","","250","","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C75 H48 Al3 Cl O16 -","- C75 H48 Al3 Cl1.0002 O16 -","- C600 H384 Al24 Cl8.0016 O128 -","8","0.166667","","Alezi, Dalal; Belmabkhout, Youssef; Suyetin, Mikhail; Bhatt, Prashant M.; Weseliński, Łukasz J; Solovyeva, Vera; Adil, Karim; Spanopoulos, Ioannis; Trikalitis, Pantelis N.; Emwas, Abdul-Hamid; Eddaoudi, Mohamed","MOF Crystal Chemistry Paving the Way to Gas Storage Needs: Aluminum-Based soc-MOF for CH4, O2, and CO2 Storage.","Journal of the American Chemical Society","2015","137","41","13308","13318","10.1021/jacs.5b07053","","","1.0402","","","0.2083","0.1494","","","0.4034","0.4365","","","","","","1.515","","","","has coordinates","240206","2020-10-21","18:00:00",""
"4129500","35.7316","0.0002","35.7316","0.0002","35.7316","0.0002","90","","90","","90","","45620.2","0.4","250","2","250","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C75 H45 Al3 Cl O16 -","- C75 H45 Al3 Cl1.02 O16 -","- C600 H360 Al24 Cl8.16 O128 -","8","0.166667","","Alezi, Dalal; Belmabkhout, Youssef; Suyetin, Mikhail; Bhatt, Prashant M.; Weseliński, Łukasz J; Solovyeva, Vera; Adil, Karim; Spanopoulos, Ioannis; Trikalitis, Pantelis N.; Emwas, Abdul-Hamid; Eddaoudi, Mohamed","MOF Crystal Chemistry Paving the Way to Gas Storage Needs: Aluminum-Based soc-MOF for CH4, O2, and CO2 Storage.","Journal of the American Chemical Society","2015","137","41","13308","13318","10.1021/jacs.5b07053","","","1.0402","","","0.2242","0.1498","","","0.3979","0.4287","","","","","","1.251","","","","has coordinates","240208","2020-10-21","18:00:00",""
"4129501","33.2645","0.0019","20.7713","0.0009","32.7632","0.0019","90","","117.948","0.008","90","","19997","2","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C156 H94 Ag24 Cl36 P2 Pt S18 -","- C156 H94 Ag24 Cl36 P2 Pt S18 -","- C624 H376 Ag96 Cl144 P8 Pt4 S72 -","4","1","","Yan, Juanzhu; Su, Haifeng; Yang, Huayan; Malola, Sami; Lin, Shuichao; Häkkinen, Hannu; Zheng, Nanfeng","Total Structure and Electronic Structure Analysis of Doped Thiolated Silver [MAg24(SR)18](2-) (M = Pd, Pt) Clusters.","Journal of the American Chemical Society","2015","137","37","11880","11883","10.1021/jacs.5b07186","","","1.54184","CuKα","","0.1191","0.074","","","0.1856","0.219","","","","","","1.004","","","","has coordinates,has disorder","240209","2020-10-21","18:00:00",""
"4129502","33.2277","0.0011","20.7963","0.0005","32.7397","0.0011","90","","117.989","0.004","90","","19977.5","1.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C157 Ag24 Cl35.76 P2 Pd S18 -","- C157 Ag24 Cl35.756 P2 Pd S18 -","- C628 Ag96 Cl143.024 P8 Pd4 S72 -","4","1","","Yan, Juanzhu; Su, Haifeng; Yang, Huayan; Malola, Sami; Lin, Shuichao; Häkkinen, Hannu; Zheng, Nanfeng","Total Structure and Electronic Structure Analysis of Doped Thiolated Silver [MAg24(SR)18](2-) (M = Pd, Pt) Clusters.","Journal of the American Chemical Society","2015","137","37","11880","11883","10.1021/jacs.5b07186","","","1.54184","CuKα","","0.0965","0.0672","","","0.179","0.2038","","","","","","1.053","","","","has coordinates,has disorder","240210","2020-10-21","18:00:00",""
"4129503","8.8603","0.0007","11.6145","0.0009","18.4379","0.0014","90","","90","","90","","1897.4","0.3","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-benzyl-2-ethyl-1-((4-nitrophenyl)sulfonyl)piperidine","","- C20 H24 N2 O4 S -","- C20 H24 N2 O4 S -","- C80 H96 N8 O16 S4 -","4","1","","Wanner, Benedikt; Kreituss, Imants; Gutierrez, Osvaldo; Kozlowski, Marisa C.; Bode, Jeffrey W.","Catalytic Kinetic Resolution of Disubstituted Piperidines by Enantioselective Acylation: Synthetic Utility and Mechanistic Insights.","Journal of the American Chemical Society","2015","137","35","11491","11497","10.1021/jacs.5b07201","","x-ray","0.71073","MoKα","","0.0241","0.0232","","","0.0601","0.0607","","","","","","1.058","","","","has coordinates","240211","2020-10-21","18:00:00",""
"4129504","41.49","0.006","41.49","0.006","41.49","0.006","90","","90","","90","","71422","18","300","2","298","2","","","","","","","","4","I m -3","-I 2 2 3","204","Zr6O7.24(OH)0.89L4.31_(H2O)55","","","- C119.68001 O290.64267 S14.96 Zr20.84 -","- C119.68 O290.643 S14.96 Zr20.84 -","- C718.08 O1743.86 S89.76 Zr125.04 -","6","0.125","","Taylor, Jared M.; Komatsu, Tokutaro; Dekura, Shun; Otsubo, Kazuya; Takata, Masaki; Kitagawa, Hiroshi","The Role of a Three Dimensionally Ordered Defect Sublattice on the Acidity of a Sulfonated Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","35","11498","11506","10.1021/jacs.5b07267","powder diffraction","","0.9998","synchrotron","","0.01788","","","","","","0.01787","0.03898","2.3864","","","","","","","has coordinates","240212","2020-10-21","18:00:00",""
"4129505","5.9305","0.0004","20.1095","0.0013","15.573","0.002","90","","90.69","0.01","90","","1857.1","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O4 -","- C19 H29 N O4 -","- C76 H116 N4 O16 -","4","2","","Thompson, Samuel J.; Thach, Danny Q.; Dong, Guangbin","Cyclic Ether Synthesis via Palladium-Catalyzed Directed Dehydrogenative Annulation at Unactivated Terminal Positions.","Journal of the American Chemical Society","2015","137","36","11586","11589","10.1021/jacs.5b07384","","","1.54184","CuKα","","0.1108","0.1017","","","0.2649","0.2814","","","","","","1.286","","","","has coordinates","240213","2020-10-21","18:00:00",""
"4129506","9.5712","0.001","16.0938","0.0019","15.5175","0.0015","90","","103.693","0.01","90","","2322.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 N O4 -","- C28 H29 N O4 -","- C112 H116 N4 O16 -","4","1","","Thompson, Samuel J.; Thach, Danny Q.; Dong, Guangbin","Cyclic Ether Synthesis via Palladium-Catalyzed Directed Dehydrogenative Annulation at Unactivated Terminal Positions.","Journal of the American Chemical Society","2015","137","36","11586","11589","10.1021/jacs.5b07384","","","1.54184","CuKα","","0.0564","0.0542","","","0.1562","0.1579","","","","","","1.184","","","","has coordinates,has disorder","240214","2020-10-21","18:00:00",""
"4129507","11.5","0.003","14.485","0.004","14.038","0.004","90","","98.392","0.003","90","","2313.4","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 N O4 -","- C28 H31 N O4 -","- C112 H124 N4 O16 -","4","1","","Thompson, Samuel J.; Thach, Danny Q.; Dong, Guangbin","Cyclic Ether Synthesis via Palladium-Catalyzed Directed Dehydrogenative Annulation at Unactivated Terminal Positions.","Journal of the American Chemical Society","2015","137","36","11586","11589","10.1021/jacs.5b07384","","","0.71073","MoKα","","0.0731","0.053","","","0.1335","0.144","","","","","","1.039","","","","has coordinates","240215","2020-10-21","18:00:00",""
"4129508","17.9136","0.0012","20.5955","0.0014","26.4341","0.0019","76.679","0.002","72.463","0.002","83.139","0.002","9035.9","1.1","100","2","100.05","","","","","","","","","8","P -1","-P 1","2","","","","- C89.65 H66.3 Cl1.3 F9 Fe4 N13 O15 S3 -","- C89.6516 H66.3032 Cl1.3032 F9 Fe4 N13 O15 S3 -","- C358.606 H265.213 Cl5.2128 F36 Fe16 N52 O60 S12 -","4","2","","de Ruiter, Graham; Thompson, Niklas B.; Lionetti, Davide; Agapie, Theodor","Nitric oxide activation by distal redox modulation in tetranuclear iron nitrosyl complexes.","Journal of the American Chemical Society","2015","137","44","14094","14106","10.1021/jacs.5b07397","","","0.71073","MoKα","","0.1305","0.0941","","","0.2421","0.265","","","","","","1.061","","","","has coordinates,has disorder","240216","2020-10-21","18:00:00",""
"4129509","40.1338","0.001","17.6952","0.0004","25.3732","0.0006","90","","113.558","0.0013","90","","16517.6","0.7","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H80 B F4 Fe4 N12 O6 -","- C92.004 H80.01 B F4 Fe4 N12 O6.001 -","- C736.032 H640.08 B8 F32 Fe32 N96 O48.008 -","8","1","","de Ruiter, Graham; Thompson, Niklas B.; Lionetti, Davide; Agapie, Theodor","Nitric oxide activation by distal redox modulation in tetranuclear iron nitrosyl complexes.","Journal of the American Chemical Society","2015","137","44","14094","14106","10.1021/jacs.5b07397","","","1.54178","CuKα","","0.1068","0.075","","","0.1833","0.204","","","","","","1.03","","","","has coordinates,has disorder","240217","2020-10-21","18:00:00",""
"4129510","15.456","0.0007","15.4962","0.0007","19.2923","0.001","99.6189","0.0019","94.3724","0.0019","93.4051","0.0018","4530.2","0.4","100","2","100.03","","","","","","","","","8","P -1","-P 1","2","","","","- C90.1 H67.3 Cl1.78 F9 Fe4 N12 O13.55 S3 -","- C90.0986 H67.301 Cl1.782 F9 Fe4 N12 O13.5519 S3 -","- C180.197 H134.602 Cl3.564 F18 Fe8 N24 O27.1038 S6 -","2","1","","de Ruiter, Graham; Thompson, Niklas B.; Lionetti, Davide; Agapie, Theodor","Nitric oxide activation by distal redox modulation in tetranuclear iron nitrosyl complexes.","Journal of the American Chemical Society","2015","137","44","14094","14106","10.1021/jacs.5b07397","","","0.71073","MoKα","","0.112","0.074","","","0.1981","0.2232","","","","","","1.036","","","","has coordinates,has disorder","240218","2020-10-21","18:00:00",""
"4129511","24.4372","0.0011","30.6281","0.0015","24.9731","0.0012","90","","95.4328","0.0015","90","","18607.5","1.5","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C96.69 H79.66 F6 Fe4 N14.87 O11.13 S2 -","- C96.27 H79.945 F6 Fe4 N14.865 O11.135 S2 -","- C770.16 H639.56 F48 Fe32 N118.92 O89.08 S16 -","8","1","","de Ruiter, Graham; Thompson, Niklas B.; Lionetti, Davide; Agapie, Theodor","Nitric oxide activation by distal redox modulation in tetranuclear iron nitrosyl complexes.","Journal of the American Chemical Society","2015","137","44","14094","14106","10.1021/jacs.5b07397","","","0.71073","MoKα","","0.0851","0.0597","","","0.1584","0.174","","","","","","1.091","","","","has coordinates,has disorder","240219","2020-10-21","18:00:00",""
"4129512","23.0449","0.001","16.4976","0.0006","24.0586","0.001","90","","96.5282","0.0013","90","","9087.4","0.6","100","2","100.05","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C91 H74 Cl2 F6 Fe4 N13 O13 S2 -","- C91 H74 Cl2 F6 Fe4 N13 O13 S2 -","- C364 H296 Cl8 F24 Fe16 N52 O52 S8 -","4","1","","de Ruiter, Graham; Thompson, Niklas B.; Lionetti, Davide; Agapie, Theodor","Nitric oxide activation by distal redox modulation in tetranuclear iron nitrosyl complexes.","Journal of the American Chemical Society","2015","137","44","14094","14106","10.1021/jacs.5b07397","","","0.71073","MoKα","","0.0872","0.0713","","","0.2041","0.2197","","","","","","1.048","","","","has coordinates,has disorder","240220","2020-10-21","18:00:00",""
"4129513","12.1605","0.0007","29.0785","0.0017","22.807","0.0013","90","","98.2302","0.0017","90","","7981.7","0.8","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C91 H75 F3 Fe4 N13 O9.5 S -","- C91 H75 F3 Fe4 N13 O9.5 S -","- C364 H300 F12 Fe16 N52 O38 S4 -","4","1","","de Ruiter, Graham; Thompson, Niklas B.; Lionetti, Davide; Agapie, Theodor","Nitric oxide activation by distal redox modulation in tetranuclear iron nitrosyl complexes.","Journal of the American Chemical Society","2015","137","44","14094","14106","10.1021/jacs.5b07397","","","0.71073","MoKα","","0.0908","0.0506","","","0.0995","0.1136","","","","","","1.028","","","","has coordinates,has disorder","240221","2020-10-21","18:00:00",""
"4129514","9.0007","0.0004","13.9627","0.0007","27.112","0.0011","90","","90","","90","","3407.3","0.3","170","","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C176 H160 N16 O8 -","8","1","","Zhang, Jitan; Chen, Hui; Lin, Cong; Liu, Zhanxiang; Wang, Chen; Zhang, Yuhong","Cobalt-Catalyzed Cyclization of Aliphatic Amides and Terminal Alkynes with Silver-Cocatalyst.","Journal of the American Chemical Society","2015","137","40","12990","12996","10.1021/jacs.5b07424","","","0.71073","MoKα","","0.0449","0.0358","","","0.0816","0.0871","","","","","","1.046","","","","has coordinates","240222","2020-10-21","18:00:00",""
"4129515","7.4527","0.0005","10.5578","0.0007","12.2041","0.0008","105.426","0.003","107.762","0.005","90.024","0.004","878.06","0.11","200","","200","","","","","","","","local","5","P -1","-P 1","2","","","","- C15 H8 Cl2 Fe2 O7 -","- C15 H8 Cl2 Fe2 O7 -","- C30 H16 Cl4 Fe4 O14 -","2","1","","Mackay, Emily G.; Newton, Christopher G.; Toombs-Ruane, Henry; Lindeboom, Erik Jan; Fallon, Thomas; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","[5]Radialene.","Journal of the American Chemical Society","2015","137","46","14653","14659","10.1021/jacs.5b07445","","","0.71073","MoKα","","0.0558","0.0488","","0.1317","0.1247","0.1317","","","","","","0.9884","","","","has coordinates","240223","2020-10-21","18:00:00",""
"4129516","7.0359","0.0001","18.8613","0.0003","17.5169","0.0003","90","","91.7918","0.0008","90","","2323.46","0.06","200","","200","","","","","","","","local","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl2 Fe2 O7 Si -","- C19 H20 Cl2 Fe2 O7 Si -","- C76 H80 Cl8 Fe8 O28 Si4 -","4","1","","Mackay, Emily G.; Newton, Christopher G.; Toombs-Ruane, Henry; Lindeboom, Erik Jan; Fallon, Thomas; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","[5]Radialene.","Journal of the American Chemical Society","2015","137","46","14653","14659","10.1021/jacs.5b07445","","","0.71073","MoKα","","0.0303","0.0255","","0.062","0.0597","0.062","","","","","","1.0205","","","","has coordinates","240224","2020-10-21","18:00:00",""
"4129517","9.8528","0.0002","16.628","0.0002","12.4642","0.0002","90","","108.765","0.0008","90","","1933.5","0.06","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Fe2 O7 -","- C19 H14 Fe2 O7 -","- C76 H56 Fe8 O28 -","4","1","","Mackay, Emily G.; Newton, Christopher G.; Toombs-Ruane, Henry; Lindeboom, Erik Jan; Fallon, Thomas; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","[5]Radialene.","Journal of the American Chemical Society","2015","137","46","14653","14659","10.1021/jacs.5b07445","","","0.71073","MoKα","","0.0347","0.0264","","0.0649","0.0611","0.0649","","","","","","0.987","","","","has coordinates","240225","2020-10-21","18:00:00",""
"4129518","11.7552","0.0002","12.7186","0.0003","12.7193","0.0003","72.8865","0.001","88.6388","0.0013","84.898","0.0013","1810.25","0.07","200","","200","","","","","","","","local","5","P -1","-P 1","2","","","","- C15 H8 Cl2 Fe2 O7 -","- C15 H8 Cl2 Fe2 O7 -","- C60 H32 Cl8 Fe8 O28 -","4","2","","Mackay, Emily G.; Newton, Christopher G.; Toombs-Ruane, Henry; Lindeboom, Erik Jan; Fallon, Thomas; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","[5]Radialene.","Journal of the American Chemical Society","2015","137","46","14653","14659","10.1021/jacs.5b07445","","","0.71073","MoKα","","0.0631","0.0364","","0.0809","0.0701","0.0809","","","","","","0.9797","","","","has coordinates","240226","2020-10-21","18:00:00",""
"4129519","19.1564","0.0004","7.3931","0.0001","11.2579","0.0002","90","","90","","90","","1594.4","0.05","200","","200","","","","","","","","local","4","P b c n","-P 2n 2ab","60","","","","- C15 H8 Fe2 O7 -","- C15 H8 Fe2 O7 -","- C60 H32 Fe8 O28 -","4","0.5","","Mackay, Emily G.; Newton, Christopher G.; Toombs-Ruane, Henry; Lindeboom, Erik Jan; Fallon, Thomas; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","[5]Radialene.","Journal of the American Chemical Society","2015","137","46","14653","14659","10.1021/jacs.5b07445","","","0.71073","MoKα","","0.0337","0.0268","","0.0718","0.0679","0.0718","","","","","","1.0123","","","","has coordinates","240227","2020-10-21","18:00:00",""
"4129520","8.7038","0.0008","6.1582","0.0005","22.188","0.002","90","","95.781","0.002","90","","1183.22","0.18","173","","173.01","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Monoclinic","","- C34 H24 O4 -","- C34 H24 O4 -","- C68 H48 O8 -","2","0.5","","Mohamed, Rana K.; Mondal, Sayantan; Jorner, Kjell; Delgado, Thais Faria; Lobodin, Vladislav V.; Ottosson, Henrik; Alabugin, Igor V.","The Missing C1-C5 Cycloaromatization Reaction: Triplet State Antiaromaticity Relief and Self-Terminating Photorelease of Formaldehyde for Synthesis of Fulvenes from Enynes.","Journal of the American Chemical Society","2015","137","49","15441","15450","10.1021/jacs.5b07448","","","0.71073","MoKα","","0.0651","0.0454","","","0.1089","0.12","","","","","","1.039","","","","has coordinates","240228","2020-10-21","18:00:00",""
"4129521","15.0474","0.0005","9.60545","0.00018","16.7082","0.0005","90","","112.614","0.004","90","","2229.28","0.13","110","0.1","110","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H32 F4 N2 Ni P2 -","- C17 H32 F4 N2 Ni P2 -","- C68 H128 F16 N8 Ni4 P8 -","4","1","","Smith, Dan A.; Beweries, Torsten; Blasius, Clemens; Jasim, Naseralla; Nazir, Ruqia; Nazir, Sadia; Robertson, Craig C.; Whitwood, Adrian C.; Hunter, Christopher A.; Brammer, Lee; Perutz, Robin N.","The Contrasting Character of Early and Late Transition Metal Fluorides as Hydrogen Bond Acceptors.","Journal of the American Chemical Society","2015","137","36","11820","11831","10.1021/jacs.5b07509","","","0.7107","MoKα","","0.0532","0.039","","","0.0889","0.096","","","","","","1.064","","","","has coordinates","240229","2020-10-21","18:00:00",""
"4129522","33.3092","0.0011","38.3322","0.0013","38.9657","0.0013","90","","90","","90","","49752","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C240.5 H259 Cl2 Cu25 P12 -","- C240.5 H181 Cl2 Cu25 P12 -","- C1924 H1448 Cl16 Cu200 P96 -","8","1","","Nguyen, Thuy-Ai D; Jones, Zachary R.; Goldsmith, Bryan R.; Buratto, William R.; Wu, Guang; Scott, Susannah L.; Hayton, Trevor W.","A Cu25 Nanocluster with Partial Cu(0) Character.","Journal of the American Chemical Society","2015","137","41","13319","13324","10.1021/jacs.5b07574","","","0.71073","MoKα","","0.2142","0.1268","","","0.2956","0.3429","","","","","","1.104","","","","has coordinates","240230","2020-10-21","18:00:00",""
"4129523","28.6582","0.0014","17.426","0.001","38.0893","0.0019","90","","90.095","0.003","90","","19021.7","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H87.5 Cl4.5 Cu9 P5 -","- C92 H79 Cl4.5 Cu9 P5 -","- C736 H632 Cl36 Cu72 P40 -","8","2","","Nguyen, Thuy-Ai D; Jones, Zachary R.; Goldsmith, Bryan R.; Buratto, William R.; Wu, Guang; Scott, Susannah L.; Hayton, Trevor W.","A Cu25 Nanocluster with Partial Cu(0) Character.","Journal of the American Chemical Society","2015","137","41","13319","13324","10.1021/jacs.5b07574","","","0.71073","MoKα","","0.3191","0.2856","","","0.5838","0.5988","","","","","","1.082","","","","has coordinates","240230","2020-10-21","18:00:00",""
"4129524","27.4515","0.0019","11.2982","0.001","37.173","0.003","90","","90.008","0.005","90","","11529.3","1.6","296","2","296","2","","","","","","","","8","P 1 2 1","P 2y","3","","","","- C300 H300 Co6 F6 N12 O48 Ru6 S6 -","- C164 Co2 F5 N8 O34 Ru8 S4 -","- C328 Co4 F10 N16 O68 Ru16 S8 -","2","1","","Ryu, Ji Yeon; Park, Yu Jin; Park, Hyoung-Ryun; Saha, Manik Lal; Stang, Peter J.; Lee, Junseong","Ruthenium-Cobalt Bimetallic Supramolecular Cages via a Less Symmetric Tetrapyridyl Metalloligand and the Effect of Spacer Units.","Journal of the American Chemical Society","2015","137","40","13018","13023","10.1021/jacs.5b07625","","","0.71073","MoKα","","0.2832","0.234","","","0.5068","0.5298","","","","","","1.936","","","","has coordinates","240231","2020-10-21","18:00:00",""
"4129525","18.6286","0.0006","22.3857","0.0007","27.5313","0.0009","70.437","0.002","76.34","0.002","68.855","0.002","10002.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C166 Co2 F18 N8 O38 Ru8 S7 -","- C166 Co2 F18 N8 O38 Ru8 S7 -","- C332 Co4 F36 N16 O76 Ru16 S14 -","2","1","","Ryu, Ji Yeon; Park, Yu Jin; Park, Hyoung-Ryun; Saha, Manik Lal; Stang, Peter J.; Lee, Junseong","Ruthenium-Cobalt Bimetallic Supramolecular Cages via a Less Symmetric Tetrapyridyl Metalloligand and the Effect of Spacer Units.","Journal of the American Chemical Society","2015","137","40","13018","13023","10.1021/jacs.5b07625","","","0.71073","MoKα","","0.2845","0.1692","","","0.3861","0.4275","","","","","","2.22","","","","has coordinates","240232","2020-10-21","18:00:00",""
"4129526","14.472","0.005","25.49","0.009","26.207","0.008","90","","93.01","0.02","90","","9654","6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 Co F12 N4 O23 Ru4 S4 -","- C79 Co F12 N4 O23 Ru4 S4 -","- C316 Co4 F48 N16 O92 Ru16 S16 -","4","1","","Ryu, Ji Yeon; Park, Yu Jin; Park, Hyoung-Ryun; Saha, Manik Lal; Stang, Peter J.; Lee, Junseong","Ruthenium-Cobalt Bimetallic Supramolecular Cages via a Less Symmetric Tetrapyridyl Metalloligand and the Effect of Spacer Units.","Journal of the American Chemical Society","2015","137","40","13018","13023","10.1021/jacs.5b07625","","","0.71073","MoKα","","0.1817","0.1299","","","0.3245","0.3583","","","","","","2.441","","","","has coordinates","240233","2020-10-21","18:00:00",""
"4129527","17.65","0.002","12.8527","0.0013","19.949","0.002","90","","90","","90","","4525.4","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H21 Co N4 O -","- C30 H21 Co N4 O -","- C240 H168 Co8 N32 O8 -","8","1","","Ryu, Ji Yeon; Park, Yu Jin; Park, Hyoung-Ryun; Saha, Manik Lal; Stang, Peter J.; Lee, Junseong","Ruthenium-Cobalt Bimetallic Supramolecular Cages via a Less Symmetric Tetrapyridyl Metalloligand and the Effect of Spacer Units.","Journal of the American Chemical Society","2015","137","40","13018","13023","10.1021/jacs.5b07625","","","0.71073","MoKα","","0.1125","0.049","","","0.0776","0.0938","","","","","","1.069","","","","has coordinates","240234","2020-10-21","18:00:00",""
"4129528","62.3023","0.0012","62.3023","0.0012","62.3023","0.0012","90","","90","","90","","241831","8","173","2","173","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C314 H583 Cu18 N104 O151 Zn23 -","- C90 H36 Cu18 N54 O71 Zn20 -","- C1440 H576 Cu288 N864 O1136 Zn320 -","16","0.0833333","","Tu, Binbin; Pang, Qingqing; Ning, Erlong; Yan, Wenqing; Qi, Yi; Wu, Doufeng; Li, Qiaowei","Heterogeneity within a Mesoporous Metal-Organic Framework with Three Distinct Metal-Containing Building Units.","Journal of the American Chemical Society","2015","137","42","13456","13459","10.1021/jacs.5b07687","","","1.54178","CuKα","","0.084","0.0721","","","0.2133","0.2191","","","","","","1.361","","","","has coordinates","240235","2020-10-21","18:00:00",""
"4129529","11.2684","0.0018","14.392","0.002","17.841","0.003","87.899","0.004","88.397","0.005","69.307","0.004","2704.5","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H83 K N3 O6.5 Se2 Si6 Th -","- C32 H78 K N3 O6.5 Se2 Si6 Th -","- C64 H156 K2 N6 O13 Se4 Si12 Th2 -","2","1","","Smiles, Danil E.; Wu, Guang; Hrobárik, Peter; Hayton, Trevor W.","Use of (77)Se and (125)Te NMR Spectroscopy to Probe Covalency of the Actinide-Chalcogen Bonding in [Th(En){N(SiMe3)2}3](-) (E = Se, Te; n = 1, 2) and Their Oxo-Uranium(VI) Congeners.","Journal of the American Chemical Society","2016","138","3","814","825","10.1021/jacs.5b07767","","","0.71073","MoKα","","0.0654","0.0433","","","0.0927","0.1003","","","","","","1.01","","","","has coordinates","240236","2020-10-21","18:00:00",""
"4129530","12.8643","0.0013","18.9142","0.0019","21.813","0.002","91.704","0.003","106.371","0.003","92.124","0.003","5084.3","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H78 K N3 O6 Se Si6 Th -","- C30 H78 K N3 O6 Se Si6 Th -","- C120 H312 K4 N12 O24 Se4 Si24 Th4 -","4","2","","Smiles, Danil E.; Wu, Guang; Hrobárik, Peter; Hayton, Trevor W.","Use of (77)Se and (125)Te NMR Spectroscopy to Probe Covalency of the Actinide-Chalcogen Bonding in [Th(En){N(SiMe3)2}3](-) (E = Se, Te; n = 1, 2) and Their Oxo-Uranium(VI) Congeners.","Journal of the American Chemical Society","2016","138","3","814","825","10.1021/jacs.5b07767","","","0.71073","MoKα","","0.0884","0.0484","","","0.0948","0.1093","","","","","","1.001","","","","has coordinates","240236","2020-10-21","18:00:00",""
"4129531","11.1836","0.0015","14.689","0.002","17.923","0.002","88.665","0.003","89.012","0.003","69.407","0.003","2755.3","0.6","104","2","104","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H83 K N3 O6.5 Si6 Te2 Th -","- C32 H78 K N3 O6.5 Si6 Te2 Th -","- C64 H156 K2 N6 O13 Si12 Te4 Th2 -","2","1","","Smiles, Danil E.; Wu, Guang; Hrobárik, Peter; Hayton, Trevor W.","Use of (77)Se and (125)Te NMR Spectroscopy to Probe Covalency of the Actinide-Chalcogen Bonding in [Th(En){N(SiMe3)2}3](-) (E = Se, Te; n = 1, 2) and Their Oxo-Uranium(VI) Congeners.","Journal of the American Chemical Society","2016","138","3","814","825","10.1021/jacs.5b07767","","","0.71073","MoKα","","0.0387","0.0303","","","0.0681","0.0715","","","","","","1.018","","","","has coordinates","240236","2020-10-21","18:00:00",""
"4129532","11.5257","0.0008","22.5872","0.0016","43.507","0.003","102.717","0.003","93.748","0.003","101.784","0.003","10743.2","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H83 K N3 O6.5 Si6 Te Th -","- C32 H78 K N3 O6.5 Si6 Te Th -","- C256 H624 K8 N24 O52 Si48 Te8 Th8 -","8","4","","Smiles, Danil E.; Wu, Guang; Hrobárik, Peter; Hayton, Trevor W.","Use of (77)Se and (125)Te NMR Spectroscopy to Probe Covalency of the Actinide-Chalcogen Bonding in [Th(En){N(SiMe3)2}3](-) (E = Se, Te; n = 1, 2) and Their Oxo-Uranium(VI) Congeners.","Journal of the American Chemical Society","2016","138","3","814","825","10.1021/jacs.5b07767","","","0.71073","MoKα","","0.1378","0.1231","","","0.2642","0.2716","","","","","","1.072","","","","has coordinates","240236","2020-10-21","18:00:00",""
"4129533","18.1364","0.001","8.9717","0.0005","17.6822","0.001","90","","109.442","0.0007","90","","2713.1","0.3","133","2","133","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[(DHMPE)2Ni-NCMe][BF4]2","","","- C14 H35 B2 F8 N Ni O8 P4 -","- C14 H35 B2 F8 N Ni O8 P4 -","- C56 H140 B8 F32 N4 Ni4 O32 P16 -","4","1","","Tsay, Charlene; Livesay, Brooke N.; Ruelas, Samantha; Yang, Jenny Y.","Solvation effects on transition metal hydricity.","Journal of the American Chemical Society","2015","137","44","14114","14121","10.1021/jacs.5b07777","","","0.71073","MoKα","","0.0332","0.0265","","","0.0638","0.0667","","","","","","1.053","","","","has coordinates,has disorder","240237","2020-10-21","18:00:00",""
"4129534","9.0075","0.001","10.3117","0.0012","10.8542","0.0012","76.877","0.005","71.402","0.005","65.744","0.005","865.77","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","BPE.4,6-diBr res","'4,4'-(1,2-ethenediyl)bispyridine 4,6-dibromo-1,3-benzenediol'","","- C18 H14 Br2 N2 O2 -","- C18 H14 Br2 N2 O2 -","- C36 H28 Br4 N4 O4 -","2","1","","Rupasinghe, Thilini P.; Hutchins, Kristin M.; Bandaranayake, Bimali S.; Ghorai, Suman; Karunatilake, Chandana; Bučar, Dejan-Krešimir; Swenson, Dale C.; Arnold, Mark A.; MacGillivray, Leonard R.; Tivanski, Alexei V.","Mechanical Properties of a Series of Macro- and Nanodimensional Organic Cocrystals Correlate with Atomic Polarizability.","Journal of the American Chemical Society","2015","137","40","12768","12771","10.1021/jacs.5b07873","","","0.71073","MoKα","","0.0427","0.0316","","","0.0766","0.081","","","","","","1.042","","","","has coordinates","240238","2020-10-21","18:00:00",""
"4129535","9.2179","0.001","10.6179","0.0012","11.037","0.0012","75.671","0.005","70.31","0.005","64.891","0.005","914.02","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","BPE.4,6-diIodo res","'4,4'-(1,2-ethenediyl)bispyridine 4,6-diiodo-1,3-benzenediol'","","- C18 H14 I2 N2 O2 -","- C18 H14 I2 N2 O2 -","- C36 H28 I4 N4 O4 -","2","1","","Rupasinghe, Thilini P.; Hutchins, Kristin M.; Bandaranayake, Bimali S.; Ghorai, Suman; Karunatilake, Chandana; Bučar, Dejan-Krešimir; Swenson, Dale C.; Arnold, Mark A.; MacGillivray, Leonard R.; Tivanski, Alexei V.","Mechanical Properties of a Series of Macro- and Nanodimensional Organic Cocrystals Correlate with Atomic Polarizability.","Journal of the American Chemical Society","2015","137","40","12768","12771","10.1021/jacs.5b07873","","","0.71073","MoKα","","0.0254","0.0221","","","0.0557","0.057","","","","","","1.082","","","","has coordinates","240238","2020-10-21","18:00:00",""
"4129536","14.2287","0.0005","15.1581","0.0006","21.3262","0.0009","80.378","0.0014","84.2804","0.0013","83.7729","0.0014","4492.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H100 Fe3 N24 O47 S12 -","- C36 H100 Fe3 N24 O47 S12 -","- C72 H200 Fe6 N48 O94 S24 -","2","1","","Gómez, Verónica; Sáenz de Pipaón, Cristina; Maldonado-Illescas, Pilar; Waerenborgh, João Carlos; Martin, Eddy; Benet-Buchholz, Jordi; Galán-Mascarós, José Ramón","Easy Excited-State Trapping and Record High TTIESST in a Spin-Crossover Polyanionic Fe(II) Trimer.","Journal of the American Chemical Society","2015","137","37","11924","11927","10.1021/jacs.5b07879","","","0.71073","MoKα","","0.1141","0.074","","","0.2217","0.2557","","","","","","1.047","","","","has coordinates,has disorder","240239","2020-10-21","18:00:00",""
"4129537","20.089","0.006","11.878","0.004","14.2","0.004","90","","90","","90","","3388.4","1.8","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C48 H30 N6 -","- C48 H30 N6 -","- C192 H120 N24 -","4","0.5","","Kawasumi, Katsuaki; Wu, Tony; Zhu, Tianyu; Chae, Hyun Sik; Van Voorhis, Troy; Baldo, Marc A.; Swager, Timothy M.","Thermally Activated Delayed Fluorescence Materials Based on Homoconjugation Effect of Donor-Acceptor Triptycenes.","Journal of the American Chemical Society","2015","137","37","11908","11911","10.1021/jacs.5b07932","","","0.71073","MoKα","","0.0941","0.0606","","","0.1569","0.18","","","","","","1.07","","","","has coordinates","240240","2020-10-21","18:00:00",""
"4129538","8.5118","0.001","13.1893","0.0016","15.677","0.0018","85.352","0.002","75.468","0.002","83.375","0.002","1689.8","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H28 N6 -","- C44 H28 N6 -","- C88 H56 N12 -","2","1","","Kawasumi, Katsuaki; Wu, Tony; Zhu, Tianyu; Chae, Hyun Sik; Van Voorhis, Troy; Baldo, Marc A.; Swager, Timothy M.","Thermally Activated Delayed Fluorescence Materials Based on Homoconjugation Effect of Donor-Acceptor Triptycenes.","Journal of the American Chemical Society","2015","137","37","11908","11911","10.1021/jacs.5b07932","","","0.71073","MoKα","","0.0871","0.0571","","","0.1486","0.169","","","","","","1.033","","","","has coordinates","240241","2020-10-21","18:00:00",""
"4129539","7.0623","0.0005","10.8007","0.0009","24.0268","0.0018","89.162","0.004","83.187","0.004","89.936","0.004","1819.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H13 B F4 O -","- C27 H13 B F4 O -","- C108 H52 B4 F16 O4 -","4","2","","Anamimoghadam, Ommid; Symes, Mark D.; Long, De-Liang; Sproules, Stephen; Cronin, Leroy; Bucher, Götz","Electronically Stabilized Nonplanar Phenalenyl Radical and Its Planar Isomer.","Journal of the American Chemical Society","2015","137","47","14944","14951","10.1021/jacs.5b07959","","","0.71073","MoKα","","0.0969","0.0466","","","0.1015","0.1248","","","","","","1.022","","","","has coordinates","240242","2020-10-21","18:00:00",""
"4129540","8.0816","0.0007","10.1745","0.0008","11.9752","0.0009","67.764","0.007","71.133","0.008","71.903","0.008","842.32","0.13","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H13 B F4 O -","- C23 H13 B F4 O -","- C46 H26 B2 F8 O2 -","2","1","","Anamimoghadam, Ommid; Symes, Mark D.; Long, De-Liang; Sproules, Stephen; Cronin, Leroy; Bucher, Götz","Electronically Stabilized Nonplanar Phenalenyl Radical and Its Planar Isomer.","Journal of the American Chemical Society","2015","137","47","14944","14951","10.1021/jacs.5b07959","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","240243","2020-10-21","18:00:00",""
"4129541","7.1692","0.0008","8.6347","0.0011","13.9776","0.0015","86.021","0.006","77.85","0.006","86.143","0.006","842.62","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H13 B F4 O -","- C23 H13 B F4 O -","- C46 H26 B2 F8 O2 -","2","1","","Anamimoghadam, Ommid; Symes, Mark D.; Long, De-Liang; Sproules, Stephen; Cronin, Leroy; Bucher, Götz","Electronically Stabilized Nonplanar Phenalenyl Radical and Its Planar Isomer.","Journal of the American Chemical Society","2015","137","47","14944","14951","10.1021/jacs.5b07959","","","0.71073","MoKα","","0.085","0.0668","","","0.1666","0.1816","","","","","","1.048","","","","has coordinates,has disorder","240244","2020-10-21","18:00:00",""
"4129542","13.161","0.004","22.787","0.006","13.182","0.004","90","","104.658","0.003","90","","3824.6","1.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Au Cl6 P2 Sb -","- C38 H32 Au Cl6 P2 Sb -","- C152 H128 Au4 Cl24 P8 Sb4 -","4","1","","Yang, Haifeng; Gabbaï, François P","Activation of a Hydroamination Gold Catalyst by Oxidation of a Redox-Noninnocent Chlorostibine Z-Ligand.","Journal of the American Chemical Society","2015","137","41","13425","13432","10.1021/jacs.5b07998","","","0.71073","MoKα","","0.0377","0.0309","","","0.08","0.0835","","","","","","1.027","","","","has coordinates","240245","2020-10-21","18:00:00",""
"4129543","17.827","0.004","13.292","0.003","17.854","0.004","90","","114.807","0.003","90","","3840.2","1.5","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 Au Cl3 F6 O0 P2 Sb2 -","- C37 H30 Au Cl3 F6 P2 Sb2 -","- C148 H120 Au4 Cl12 F24 P8 Sb8 -","4","1","","Yang, Haifeng; Gabbaï, François P","Activation of a Hydroamination Gold Catalyst by Oxidation of a Redox-Noninnocent Chlorostibine Z-Ligand.","Journal of the American Chemical Society","2015","137","41","13425","13432","10.1021/jacs.5b07998","","","0.71073","MoKα","","0.1494","0.0628","","","0.1293","0.1609","","","","","","0.97","","","","has coordinates","240245","2020-10-21","18:00:00",""
"4129544","14.386","0.008","12.541","0.007","19.062","0.01","90","","94.604","0.007","90","","3428","3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Au Cl4 P2 Sb -","- C36 H28 Au Cl4 P2 Sb -","- C144 H112 Au4 Cl16 P8 Sb4 -","4","1","","Yang, Haifeng; Gabbaï, François P","Activation of a Hydroamination Gold Catalyst by Oxidation of a Redox-Noninnocent Chlorostibine Z-Ligand.","Journal of the American Chemical Society","2015","137","41","13425","13432","10.1021/jacs.5b07998","","","0.71073","MoKα","","0.0889","0.0546","","","0.1235","0.1388","","","","","","1.034","","","","has coordinates","240245","2020-10-21","18:00:00",""
"4129545","10.4745","0.0015","16.186","0.002","10.6057","0.0015","90","","117.492","0.001","90","","1595","0.4","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H28 Au Cl F3 P2 Sb -","- C36 H28 Au Cl F3 P2 Sb -","- C72 H56 Au2 Cl2 F6 P4 Sb2 -","2","1","","Yang, Haifeng; Gabbaï, François P","Activation of a Hydroamination Gold Catalyst by Oxidation of a Redox-Noninnocent Chlorostibine Z-Ligand.","Journal of the American Chemical Society","2015","137","41","13425","13432","10.1021/jacs.5b07998","","","0.71073","MoKα","","0.0491","0.0486","","","0.1178","0.1181","","","","","","1.045","","","","has coordinates","240245","2020-10-21","18:00:00",""
"4129546","16.8662","0.0017","14.36","0.0015","16.922","0.003","90","","117.189","0.001","90","","3645.6","0.8","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Au F9 P2 Sb2 -","- C36 H28 Au F9 P2 Sb2 -","- C144 H112 Au4 F36 P8 Sb8 -","4","0.5","","Yang, Haifeng; Gabbaï, François P","Activation of a Hydroamination Gold Catalyst by Oxidation of a Redox-Noninnocent Chlorostibine Z-Ligand.","Journal of the American Chemical Society","2015","137","41","13425","13432","10.1021/jacs.5b07998","","","0.71073","MoKα","","0.0255","0.0226","","","0.0606","0.062","","","","","","1.097","","","","has coordinates,has disorder","240245","2020-10-21","18:00:00",""
"4129547","16.098","0.004","19.349","0.004","14.889","0.003","90","","113.994","0.002","90","","4236.9","1.6","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Au Cl F9 O P2 Sb2 -","- C39.418 H39.254 Au Cl1.164 F9 O1.709 P2 Sb2 -","- C157.672 H157.016 Au4 Cl4.656 F36 O6.836 P8 Sb8 -","4","1","","Yang, Haifeng; Gabbaï, François P","Activation of a Hydroamination Gold Catalyst by Oxidation of a Redox-Noninnocent Chlorostibine Z-Ligand.","Journal of the American Chemical Society","2015","137","41","13425","13432","10.1021/jacs.5b07998","","","0.71073","MoKα","","0.0522","0.0326","","","0.0703","0.084","","","","","","1.072","","","","has coordinates,has disorder","240245","2020-10-21","18:00:00",""
"4129548","5.7323","0.0012","7.92","0.002","12.149","0.002","90","","98.524","0.006","90","","545.5","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 Br O2 -","- C11 H15 Br O2 -","- C22 H30 Br2 O4 -","2","1","","Liang, Tao; Zhang, Wandi; Chen, Te-Yu; Nguyen, Khoa D.; Krische, Michael J.","Ruthenium Catalyzed Diastereo- and Enantioselective Coupling of Propargyl Ethers with Alcohols: Siloxy-Crotylation via Hydride Shift Enabled Conversion of Alkynes to π-Allyls.","Journal of the American Chemical Society","2015","137","40","13066","13071","10.1021/jacs.5b08019","","","0.71073","MoKα","","0.0366","0.0271","","","0.0487","0.0506","","","","","","1.006","","","","has coordinates","240246","2020-10-21","18:00:00",""
"4129549","13.2727","0.0006","12.2599","0.0006","14.2024","0.0006","90","","90","","90","","2311.04","0.18","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H38 Cl N O10 -","- C18 H38 Cl N O10 -","- C72 H152 Cl4 N4 O40 -","4","1","","Tang, Yun-Zhi; Yu, Yin-Mei; Xiong, Jian-Bo; Tan, Yu-Hui; Wen, He-Rui","Unusual High-Temperature Reversible Phase-Transition Behavior, Structures, and Dielectric-Ferroelectric Properties of Two New Crown Ether Clathrates.","Journal of the American Chemical Society","2015","137","41","13345","13351","10.1021/jacs.5b08061","","","0.71073","MoKα","","0.0675","0.0464","","","0.1023","0.1162","","","","","","1.027","","","","has coordinates","240247","2020-10-21","18:00:00",""
"4129550","13.381","0.003","12.051","0.002","14.234","0.003","90","","90","","90","","2295.3","0.8","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H38 B F4 N O6 -","- C18 H38 B F4 N O6 -","- C72 H152 B4 F16 N4 O24 -","4","1","","Tang, Yun-Zhi; Yu, Yin-Mei; Xiong, Jian-Bo; Tan, Yu-Hui; Wen, He-Rui","Unusual High-Temperature Reversible Phase-Transition Behavior, Structures, and Dielectric-Ferroelectric Properties of Two New Crown Ether Clathrates.","Journal of the American Chemical Society","2015","137","41","13345","13351","10.1021/jacs.5b08061","","","0.71073","MoKα","","0.0909","0.0706","","","0.1778","0.1923","","","","","","1.058","","","","has coordinates","240248","2020-10-21","18:00:00",""
"4129551","12.7025","0.0006","8.6876","0.0004","13.802","0.0006","90","","114.514","0.001","90","","1385.82","0.11","147","2","147","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C24 H54 Cl D P2 Pt -","- C24 H54 Cl D P2 Pt -","- C48 H108 Cl2 D2 P4 Pt2 -","2","0.5","","Prack, Ernest; O'Keefe, Christopher A; Moore, Jeremy K.; Lai, Angel; Lough, Alan J.; Macdonald, Peter M.; Conradi, Mark S.; Schurko, Robert W.; Fekl, Ulrich","A Molecular Rotor Possessing an H-M-H ""Spoke"" on a P-M-P ""Axle"": A Platinum(II) trans-Dihydride Spins Rapidly Even at 75 K.","Journal of the American Chemical Society","2015","137","42","13464","13467","10.1021/jacs.5b08213","","","0.71073","MoKα","","0.0175","0.0135","","","0.0304","0.0317","","","","","","1.072","","","","has coordinates","240249","2020-10-21","18:00:00",""
"4129552","8.4834","0.0012","13.6675","0.0019","11.9574","0.0016","90","","94.717","0.003","90","","1381.7","0.3","147","2","147","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H56 P2 Pt -","- C24 H56 P2 Pt -","- C48 H112 P4 Pt2 -","2","0.5","","Prack, Ernest; O'Keefe, Christopher A; Moore, Jeremy K.; Lai, Angel; Lough, Alan J.; Macdonald, Peter M.; Conradi, Mark S.; Schurko, Robert W.; Fekl, Ulrich","A Molecular Rotor Possessing an H-M-H ""Spoke"" on a P-M-P ""Axle"": A Platinum(II) trans-Dihydride Spins Rapidly Even at 75 K.","Journal of the American Chemical Society","2015","137","42","13464","13467","10.1021/jacs.5b08213","","","0.71073","MoKα","","0.0197","0.0136","","","0.0278","0.0302","","","","","","1.071","","","","has coordinates","240250","2020-10-21","18:00:00",""
"4129553","7.7672","","9.2673","","9.2845","","119.915","","95.254","","107.197","","529.812","","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H9 Br2 I -","- C9 H9 Br3.51 -","- C18 H18 Br7.02 -","2","1","","Ichikawa, Jun-ichi; Hoshino, Norihisa; Takeda, Takashi; Akutagawa, Tomoyuki","Collective In-Plane Molecular Rotator Based on Dibromoiodomesitylene π-Stacks.","Journal of the American Chemical Society","2015","137","40","13155","13160","10.1021/jacs.5b08215","","","1.54187","CuKα","","","0.0442","","","","0.056","","","","","","1.255","","","","has coordinates","240251","2020-10-21","18:00:00",""
"4129554","8.4062","","6.9907","","18.0839","","90","","103.591","","90","","1032.95","","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 I2 -","- C9 H10 I2 -","- C36 H40 I8 -","4","1","","Ichikawa, Jun-ichi; Hoshino, Norihisa; Takeda, Takashi; Akutagawa, Tomoyuki","Collective In-Plane Molecular Rotator Based on Dibromoiodomesitylene π-Stacks.","Journal of the American Chemical Society","2015","137","40","13155","13160","10.1021/jacs.5b08215","","","1.54187","CuKα","","0.0701","0.0593","","","0.1415","0.179","","","","","","1.129","","","","has coordinates","240251","2020-10-21","18:00:00",""
"4129555","5.5224","0.00009","7.5058","0.002","15.155","0.024","90","","90","","90","","628.2","1","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.18404","","1.22","","","","","","","has coordinates","240252","2020-10-21","18:00:00",""
"4129556","5.90617","0.00008","7.7074","0.0008","15.4587","0.0029","90","","90","","90","","703.7","0.15","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.15869","","1.27","","","","","","","has coordinates","240253","2020-10-21","18:00:00",""
"4129557","5.98941","0.00015","10.8833","0.0004","14.8019","0.0011","90","","90","","90","","964.86","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","PhBBO","","","- C12 H5 N2 O S4 -","- C12 H5 N2 O S4 -","- C48 H20 N8 O4 S16 -","4","1","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.12209","","0.76","","","","","","","has coordinates","240254","2020-10-21","18:00:00",""
"4129558","6.40525","0.00033","11.3663","0.0006","15.5172","0.0016","90","","90","","90","","1129.71","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","PhBBO","","","- C12 H5 N2 O S4 -","- C12 H5 N2 O S4 -","- C48 H20 N8 O4 S16 -","4","1","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.08838","","0.97","","","","","","","has coordinates","240255","2020-10-21","18:00:00",""
"4129559","5.71784","0.00018","10.6889","0.0006","14.4886","0.0014","90","","90","","90","","885.51","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","PhBBO","","","- C12 H5 N2 O S4 -","- C12 H5 N2 O S4 -","- C48 H20 N8 O4 S16 -","4","1","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.12976","","0.78","","","","","","","has coordinates","240256","2020-10-21","18:00:00",""
"4129560","5.82889","0.00018","10.7665","0.0005","14.6183","0.0014","90","","90","","90","","917.4","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","PhBBO","","","- C12 H5 N2 O S4 -","- C12 H5 N2 O S4 -","- C48 H20 N8 O4 S16 -","4","1","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.12764","","0.85","","","","","","","has coordinates","240257","2020-10-21","18:00:00",""
"4129561","6.20057","0.00007","7.8636","0.0005","15.7606","0.002","90","","90","","90","","768.47","0.11","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.13293","","0.93","","","","","","","has coordinates","240258","2020-10-21","18:00:00",""
"4129562","5.74052","0.00005","7.6003","0.0007","15.2757","0.0025","90","","90","","90","","666.47","0.13","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.13894","","0.78","","","","","","","has coordinates","240259","2020-10-21","18:00:00",""
"4129563","5.79339","0.00007","7.6413","0.0006","15.345","0.004","90","","90","","90","","679.31","0.19","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.1976","","0.89","","","","","","","has coordinates","240260","2020-10-21","18:00:00",""
"4129564","5.6811","0.0015","7.5876","0.0021","15.249","0.009","90","","90","","90","","657.3","0.5","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.2139","","1.02","","","","","","","has coordinates","240261","2020-10-21","18:00:00",""
"4129565","6.02602","0.00007","7.7738","0.0004","15.5993","0.0019","90","","90","","90","","730.75","0.1","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.112","","0.74","","","","","","","has coordinates","240262","2020-10-21","18:00:00",""
"4129566","23.723","","9.233","","15.182","","90","","90","","90","","3325.38","","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C168 H136 N8 O24 -","8","1","","Mallia, Ajith R.; Salini, P. S.; Hariharan, Mahesh","Nonparallel Stacks of Donor and Acceptor Chromophores Evade Geminate Charge Recombination.","Journal of the American Chemical Society","2015","137","50","15604","15607","10.1021/jacs.5b08257","","","0.71073","MoKα","","0.1154","0.0753","","","0.2037","0.2558","","","","","","1.053","","","","has coordinates","240263","2020-10-21","18:00:00",""
"4129567","4.8152","0.0005","13.5941","0.0015","14.9103","0.0015","106.19","0.006","95.651","0.006","94.036","0.006","927.84","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C50 H38 N2 O6 -","2","1","","Mallia, Ajith R.; Salini, P. S.; Hariharan, Mahesh","Nonparallel Stacks of Donor and Acceptor Chromophores Evade Geminate Charge Recombination.","Journal of the American Chemical Society","2015","137","50","15604","15607","10.1021/jacs.5b08257","","","0.71073","MoKα","","0.0984","0.0825","","","0.2635","0.2843","","","","","","1.089","","","","has coordinates","240264","2020-10-21","18:00:00",""
"4129568","4.8045","0.0002","25.7786","0.001","9.8034","0.0004","90","","95.38","0.002","90","","1208.83","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Mallia, Ajith R.; Salini, P. S.; Hariharan, Mahesh","Nonparallel Stacks of Donor and Acceptor Chromophores Evade Geminate Charge Recombination.","Journal of the American Chemical Society","2015","137","50","15604","15607","10.1021/jacs.5b08257","","","0.71073","MoKα","","0.0526","0.0404","","","0.1191","0.134","","","","","","1.051","","","","has coordinates","240265","2020-10-21","18:00:00",""
"4129569","7.361","0.005","17.49","0.011","6.466","0.004","90","","90","","90","","832.5","0.9","273","2","273","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C4 H8 Cl3 Mn N -","- C4 H8 Cl3 Mn N -","- C16 H32 Cl12 Mn4 N4 -","4","0.5","","Ye, Heng-Yun; Zhou, QiongHua; Niu, XiangHong; Liao, Wei-Qiang; Fu, Da-Wei; Zhang, Yi; You, Yu-Meng; Wang, Jinlan; Chen, Zhong-Ning; Xiong, Ren-Gen","High-Temperature Ferroelectricity and Photoluminescence in a Hybrid Organic-Inorganic Compound: (3-Pyrrolinium)MnCl3.","Journal of the American Chemical Society","2015","137","40","13148","13154","10.1021/jacs.5b08290","","","0.71073","MoKα","","0.0223","0.0204","","","0.0515","0.0521","","","","","","1.07","","","","has coordinates","240266","2020-10-21","18:00:00",""
"4129570","7.47","0.005","17.642","0.003","6.515","0.002","90","","90","","90","","858.6","0.6","413","2","413","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H8 Cl3 Mn N -","- C4 H7 Cl3 Mn N -","- C16 H28 Cl12 Mn4 N4 -","4","0.25","","Ye, Heng-Yun; Zhou, QiongHua; Niu, XiangHong; Liao, Wei-Qiang; Fu, Da-Wei; Zhang, Yi; You, Yu-Meng; Wang, Jinlan; Chen, Zhong-Ning; Xiong, Ren-Gen","High-Temperature Ferroelectricity and Photoluminescence in a Hybrid Organic-Inorganic Compound: (3-Pyrrolinium)MnCl3.","Journal of the American Chemical Society","2015","137","40","13148","13154","10.1021/jacs.5b08290","","","0.71073","MoKα","","0.0364","0.0301","","","0.0801","0.0828","","","","","","1.111","","","","has coordinates","240267","2020-10-21","18:00:00",""
"4129571","7.437","0.0006","9.6628","0.0008","11.6887","0.001","90","","96.907","0.001","90","","833.88","0.12","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H17 Br Cl2 Fe O2 -","- C16 H17 Br Cl2 Fe O2 -","- C32 H34 Br2 Cl4 Fe2 O4 -","2","1","","Bucher, Cyril; Deans, Richard M.; Burns, Noah Z.","Highly Selective Synthesis of Halomon, Plocamenone, and Isoplocamenone.","Journal of the American Chemical Society","2015","137","40","12784","12787","10.1021/jacs.5b08398","","","0.71073","MoKα","","0.0196","0.0187","","","0.0478","0.048","","","","","","1.032","","","","has coordinates","240268","2020-10-21","18:00:00",""
"4129572","15.2839","0.0006","9.8799","0.0004","15.4258","0.0006","90","","101.082","0.002","90","","2285.91","0.16","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H25 Br2 Cl3 Fe O2 -","- C21 H25 Br2 Cl3 Fe O2 -","- C84 H100 Br8 Cl12 Fe4 O8 -","4","2","","Bucher, Cyril; Deans, Richard M.; Burns, Noah Z.","Highly Selective Synthesis of Halomon, Plocamenone, and Isoplocamenone.","Journal of the American Chemical Society","2015","137","40","12784","12787","10.1021/jacs.5b08398","","","0.71073","MoKα","","0.0727","0.0533","","","0.1103","0.1175","","","","","","1.051","","","","has coordinates,has disorder","240269","2020-10-21","18:00:00",""
"4129573","9.6424","0.001","7.2529","0.0007","10.6701","0.001","90","","106.601","0.003","90","","715.11","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 Br2 Cl2 O2 -","- C9 H16 Br2 Cl2 O2 -","- C18 H32 Br4 Cl4 O4 -","2","1","","Bucher, Cyril; Deans, Richard M.; Burns, Noah Z.","Highly Selective Synthesis of Halomon, Plocamenone, and Isoplocamenone.","Journal of the American Chemical Society","2015","137","40","12784","12787","10.1021/jacs.5b08398","","","0.71073","MoKα","","0.0398","0.0356","","","0.0948","0.0968","","","","","","1.08","","","","has coordinates","240270","2020-10-21","18:00:00",""
"4129574","42.7645","0.0013","42.7645","0.0013","16.7556","0.0005","90","","90","","120","","26537.3","1.4","250","2","249.99","","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C96 H56 Cl2 Fe4 Hf6 N8 O32 -","- C96 H56 Cl2 Fe4 Hf6 N8 O32 -","- C288 H168 Cl6 Fe12 Hf18 N24 O96 -","3","0.125","","Beyzavi, M. Hassan; Vermeulen, Nicolaas A.; Howarth, Ashlee J.; Tussupbayev, Samat; League, Aaron B.; Schweitzer, Neil M.; Gallagher, James R.; Platero-Prats, Ana E; Hafezi, Nema; Sarjeant, Amy A.; Miller, Jeffrey T.; Chapman, Karena W.; Stoddart, J. Fraser; Cramer, Christopher J.; Hupp, Joseph T.; Farha, Omar K.","A Hafnium-Based Metal-Organic Framework as a Nature-Inspired Tandem Reaction Catalyst.","Journal of the American Chemical Society","2015","137","42","13624","13631","10.1021/jacs.5b08440","","","1.54178","CuKα","","0.0555","0.0433","","","0.1228","0.128","","","","","","0.962","","","","has coordinates,has disorder","240271","2020-10-21","18:00:00",""
"4129575","9.7265","0.0002","10.4299","0.0002","13.3343","0.0009","86.764","0.006","83.136","0.006","89.251","0.006","1340.85","0.1","358","2","358","2","","","","","","","","5","P -1","-P 1","2","Ni(Itol)(MMA)2","","","- C27 H32 N2 Ni O4 -","- C27 H32 N2 Ni O4 -","- C54 H64 N4 Ni2 O8 -","2","1","","Todd, David P.; Thompson, Benjamin B.; Nett, Alex J.; Montgomery, John","Deoxygenative C-C Bond-Forming Processes via a Net Four-Electron Reductive Coupling.","Journal of the American Chemical Society","2015","137","40","12788","12791","10.1021/jacs.5b08448","","","1.54178","CuKα","","0.0583","0.0534","","","0.1584","0.166","","","","","","1.165","","","","has coordinates","240272","2020-10-21","18:00:00",""
"4129576","25.185","0.003","13.6537","0.0015","27.621","0.003","90","","117.102","0.002","90","","8455.1","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C81 H138 N10 O9.67 -","- C81 H138 N10 O9.6666 -","- C324 H552 N40 O38.6664 -","4","0.5","","Nava, Matthew; Lopez, Nazario; Müller, Peter; Wu, Gang; Nocera, Daniel G.; Cummins, Christopher C.","Anion-Receptor Mediated Oxidation of Carbon Monoxide to Carbonate by Peroxide Dianion.","Journal of the American Chemical Society","2015","137","46","14562","14565","10.1021/jacs.5b08495","","","0.71073","MoKα","","0.0864","0.0553","","","0.1495","0.1726","","","","","","1.016","","","","has coordinates,has disorder","240273","2020-10-21","18:00:00",""
"4129577","25.0676","0.0009","13.6347","0.0005","27.5542","0.0014","90","","116.715","0.0008","90","","8412.4","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C81 H138 N10 O9 -","- C81 H138 N10 O9 -","- C324 H552 N40 O36 -","4","0.5","","Nava, Matthew; Lopez, Nazario; Müller, Peter; Wu, Gang; Nocera, Daniel G.; Cummins, Christopher C.","Anion-Receptor Mediated Oxidation of Carbon Monoxide to Carbonate by Peroxide Dianion.","Journal of the American Chemical Society","2015","137","46","14562","14565","10.1021/jacs.5b08495","","","0.71073","MoKα","","0.0748","0.0584","","","0.1635","0.1819","","","","","","1.027","","","","has coordinates,has disorder","240274","2020-10-21","18:00:00",""
"4129578","10.5541","0.0006","10.8702","0.0006","21.4812","0.001","88.2639","0.0019","84.3786","0.0018","73.4287","0.0019","2350.7","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H53 B F4 N O2 P2 Rh -","- C56 H53 B F4 N O2 P2 Rh -","- C112 H106 B2 F8 N2 O4 P4 Rh2 -","2","1","","Ensign, Seth C.; Vanable, Evan P.; Kortman, Gregory D.; Weir, Lee J.; Hull, Kami L.","Anti-Markovnikov Hydroamination of Homoallylic Amines.","Journal of the American Chemical Society","2015","137","43","13748","13751","10.1021/jacs.5b08500","","x-ray","0.71073","MoKα","","0.0261","0.0233","","","0.0599","0.061","","","","","","1.075","","","","has coordinates,has disorder","240275","2020-10-21","18:00:00",""
"4129579","8.0242","0.0006","15.8775","0.0011","17.8568","0.0013","90","","90","","90","","2275","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N3 O7 -","- C22 H23 N3 O7 -","- C88 H92 N12 O28 -","4","1","","Pous, Jonathan; Courant, Thibaut; Bernadat, Guillaume; Iorga, Bogdan I.; Blanchard, Florent; Masson, Géraldine","Regio-, Diastereo-, and Enantioselective Nitroso-Diels-Alder Reaction of 1,3-Diene-1-carbamates Catalyzed by Chiral Phosphoric Acids.","Journal of the American Chemical Society","2015","137","37","11950","11953","10.1021/jacs.5b08515","","","1.54187","CuKα","","0.1163","0.0597","","","0.1342","0.1824","","","","","","1.046","","","","has coordinates","240276","2020-10-21","18:00:00",""
"4129580","6.1072","0.0001","13.8815","0.0003","21.5452","0.0015","90","","90","","90","","1826.54","0.14","85","2","85","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C84 H112 O20 -","4","1","","Cichowicz, Nathan R.; Kaplan, Will; Khomutnyk, Yaroslav; Bhattarai, Bijay; Sun, Zhankui; Nagorny, Pavel","Concise Enantioselective Synthesis of Oxygenated Steroids via Sequential Copper(II)-Catalyzed Michael Addition/Intramolecular Aldol Cyclization Reactions.","Journal of the American Chemical Society","2015","137","45","14341","14348","10.1021/jacs.5b08528","","","1.54178","CuKα","","0.0279","0.0278","","","0.0702","0.0702","","","","","","1.079","","","","has coordinates","240277","2020-10-21","18:00:00",""
"4129581","9.4116","0.0002","10.1451","0.0002","10.385","0.0007","87.94","0.006","66.878","0.005","82.795","0.006","904.63","0.08","85","2","85","2","","","","","","","","3","P 1","P 1","1","","","","- C20 H28 O6 -","- C20 H28 O6 -","- C40 H56 O12 -","2","2","","Cichowicz, Nathan R.; Kaplan, Will; Khomutnyk, Yaroslav; Bhattarai, Bijay; Sun, Zhankui; Nagorny, Pavel","Concise Enantioselective Synthesis of Oxygenated Steroids via Sequential Copper(II)-Catalyzed Michael Addition/Intramolecular Aldol Cyclization Reactions.","Journal of the American Chemical Society","2015","137","45","14341","14348","10.1021/jacs.5b08528","","","1.54178","CuKα","","0.0331","0.0329","","","0.0862","0.0864","","","","","","0.962","","","","has coordinates,has disorder","240278","2020-10-21","18:00:00",""
"4129582","13.2747","0.0002","10.5692","0.0002","26.994","0.0019","90","","90","","90","","3787.3","0.3","85","2","85","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H30 O6 -","- C21 H30 O6 -","- C168 H240 O48 -","8","2","","Cichowicz, Nathan R.; Kaplan, Will; Khomutnyk, Yaroslav; Bhattarai, Bijay; Sun, Zhankui; Nagorny, Pavel","Concise Enantioselective Synthesis of Oxygenated Steroids via Sequential Copper(II)-Catalyzed Michael Addition/Intramolecular Aldol Cyclization Reactions.","Journal of the American Chemical Society","2015","137","45","14341","14348","10.1021/jacs.5b08528","","","1.54178","CuKα","","0.0357","0.0344","","","0.0838","0.0846","","","","","","1.065","","","","has coordinates","240279","2020-10-21","18:00:00",""
"4129583","8.1977","0.0019","12.821","0.003","17.153","0.004","90","","90","","90","","1802.8","0.7","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br O5 -","- C20 H21 Br O5 -","- C80 H84 Br4 O20 -","4","1","","Hong, Benke; Li, Chao; Wang, Zhen; Chen, Jie; Li, Houhua; Lei, Xiaoguang","Enantioselective Total Synthesis of (-)-Incarviatone A.","Journal of the American Chemical Society","2015","137","37","11946","11949","10.1021/jacs.5b08551","","","0.71073","MoKα","","0.0565","0.0382","","","0.0617","0.0678","","","","","","1","","","","has coordinates","240280","2020-10-21","18:00:00",""
"4129584","7.4116","0.0002","8.4114","0.0003","14.1853","0.0004","90","","98.761","0.003","90","","874.02","0.05","180","0.1","180","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C40 H48 O12 -","2","1","","Hong, Benke; Li, Chao; Wang, Zhen; Chen, Jie; Li, Houhua; Lei, Xiaoguang","Enantioselective Total Synthesis of (-)-Incarviatone A.","Journal of the American Chemical Society","2015","137","37","11946","11949","10.1021/jacs.5b08551","","","1.54184","CuKα","","0.0366","0.036","","","0.1003","0.1008","","","","","","1.078","","","","has coordinates","240281","2020-10-21","18:00:00",""
"4129585","8.6632","0.001","7.4512","0.0008","16.987","0.002","90","","91.269","0.01","90","","1096.3","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 I O2 -","- C11 H11 I O2 -","- C44 H44 I4 O8 -","4","2","","Hong, Benke; Li, Chao; Wang, Zhen; Chen, Jie; Li, Houhua; Lei, Xiaoguang","Enantioselective Total Synthesis of (-)-Incarviatone A.","Journal of the American Chemical Society","2015","137","37","11946","11949","10.1021/jacs.5b08551","","","0.71073","MoKα","","0.0825","0.0718","","","0.1587","0.1702","","","","","","1.048","","","","has coordinates","240282","2020-10-21","18:00:00",""
"4129586","8.4818","0.001","6.7611","0.0008","14.9995","0.0017","90","","105.173","0.002","90","","830.18","0.17","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 O3 -","- C11 H8 O3 -","- C44 H32 O12 -","4","1","","Peng, Chia-Yu; Shen, Jiun-Yi; Chen, Yi-Ting; Wu, Pei-Jhen; Hung, Wen-Yi; Hu, Wei-Ping; Chou, Pi-Tai","Optically Triggered Stepwise Double-Proton Transfer in an Intramolecular Proton Relay: A Case Study of 1,8-Dihydroxy-2-naphthaldehyde.","Journal of the American Chemical Society","2015","137","45","14349","14357","10.1021/jacs.5b08562","","","0.71073","MoKα","","0.0667","0.0504","","","0.1429","0.1575","","","","","","1.057","","","","has coordinates","240283","2020-10-21","18:00:00",""
"4129587","10.2036","0.0004","25.8627","0.001","10.8916","0.0004","90","","101.098","0.0005","90","","2820.46","0.19","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H49 N2 Y -","- C29 H49 N2 Y -","- C116 H196 N8 Y4 -","4","1","","MacDonald, Matthew R.; Langeslay, Ryan R.; Ziller, Joseph W.; Evans, William J.","Synthesis, Structure, and Reactivity of the Ethyl Yttrium Metallocene, (C5Me5)2Y(CH2CH3), Including Activation of Methane.","Journal of the American Chemical Society","2015","137","46","14716","14725","10.1021/jacs.5b08597","","","0.71073","MoKα","","0.0348","0.026","","","0.0598","0.063","","","","","","1.041","","","","has coordinates","240284","2020-10-21","18:00:00",""
"4129588","8.5822","0.0008","14.0989","0.0013","17.4406","0.0017","90","","101.906","0.0013","90","","2064.9","0.3","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H35 Y -","- C22 H35 Y -","- C88 H140 Y4 -","4","1","","MacDonald, Matthew R.; Langeslay, Ryan R.; Ziller, Joseph W.; Evans, William J.","Synthesis, Structure, and Reactivity of the Ethyl Yttrium Metallocene, (C5Me5)2Y(CH2CH3), Including Activation of Methane.","Journal of the American Chemical Society","2015","137","46","14716","14725","10.1021/jacs.5b08597","","","0.71073","MoKα","","0.0685","0.0375","","","0.0753","0.0851","","","","","","1.017","","","","has coordinates","240284","2020-10-21","18:00:00",""
"4129589","9.5104","0.001","10.7672","0.0012","12.0235","0.0013","73.4204","0.0013","80.374","0.0013","69.1578","0.0012","1099.8","0.2","88","2","88","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H35 O2 Y -","- C23 H35 O2 Y -","- C46 H70 O4 Y2 -","2","1","","MacDonald, Matthew R.; Langeslay, Ryan R.; Ziller, Joseph W.; Evans, William J.","Synthesis, Structure, and Reactivity of the Ethyl Yttrium Metallocene, (C5Me5)2Y(CH2CH3), Including Activation of Methane.","Journal of the American Chemical Society","2015","137","46","14716","14725","10.1021/jacs.5b08597","","","0.71073","MoKα","","0.0572","0.0507","","","0.1272","0.1316","","","","","","1.023","","","","has coordinates,has disorder","240284","2020-10-21","18:00:00",""
"4129590","37.641","0.003","37.641","0.003","9.2606","0.0009","90","","90","","90","","13121","2","100","0.1","100","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","holak11","","","- C36 H49 Co N2 -","- C36 H49 Co N2 -","- C576 H784 Co16 N32 -","16","1","","Chen, Chi; Hecht, Maxwell B.; Kavara, Aydin; Brennessel, William W.; Mercado, Brandon Q.; Weix, Daniel J.; Holland, Patrick L.","Rapid, Regioconvergent, Solvent-Free Alkene Hydrosilylation with a Cobalt Catalyst.","Journal of the American Chemical Society","2015","137","41","13244","13247","10.1021/jacs.5b08611","","","0.71073","MoKα","","0.1038","0.0582","","","0.1205","0.1368","","","","","","0.996","","","","has coordinates,has disorder","240285","2020-10-21","18:00:00",""
"4129591","13.2587","0.0002","12.2469","0.0002","15.3894","0.0011","90","","109.993","0.008","90","","2348.3","0.2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H66 Cl2 Co2 N4 -","- C50 H66 Cl2 Co2 N4 -","- C100 H132 Cl4 Co4 N8 -","2","0.5","","Chen, Chi; Hecht, Maxwell B.; Kavara, Aydin; Brennessel, William W.; Mercado, Brandon Q.; Weix, Daniel J.; Holland, Patrick L.","Rapid, Regioconvergent, Solvent-Free Alkene Hydrosilylation with a Cobalt Catalyst.","Journal of the American Chemical Society","2015","137","41","13244","13247","10.1021/jacs.5b08611","","","0.71075","MoKα","","0.0245","0.0239","","","0.0631","0.0635","","","","","","1.059","","","","has coordinates","240285","2020-10-21","18:00:00",""
"4129592","13.021","0.004","11.662","0.004","14.06","0.005","90","","92.952","0.005","90","","2132.2","1.2","100","0.5","100","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","holcc07","","","- C50 H66 Co2 N4 -","- C50 H66 Co2 N4 -","- C100 H132 Co4 N8 -","2","0.5","","Chen, Chi; Hecht, Maxwell B.; Kavara, Aydin; Brennessel, William W.; Mercado, Brandon Q.; Weix, Daniel J.; Holland, Patrick L.","Rapid, Regioconvergent, Solvent-Free Alkene Hydrosilylation with a Cobalt Catalyst.","Journal of the American Chemical Society","2015","137","41","13244","13247","10.1021/jacs.5b08611","","","0.71073","MoKα","","0.1018","0.0655","","","0.1391","0.1558","","","","","","1.106","","","","has coordinates","240285","2020-10-21","18:00:00",""
"4129593","8.562","0.0016","14.607","0.003","24.304","0.005","90","","92.187","0.004","90","","3037.4","1","100","0.5","100","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","holcc06","","","- C29 H43 Cl2 Co Li N2 O2 -","- C22.248 H27.808 Cl2 Co Li N2 O0.312 -","- C88.992 H111.232 Cl8 Co4 Li4 N8 O1.248 -","4","1","","Chen, Chi; Hecht, Maxwell B.; Kavara, Aydin; Brennessel, William W.; Mercado, Brandon Q.; Weix, Daniel J.; Holland, Patrick L.","Rapid, Regioconvergent, Solvent-Free Alkene Hydrosilylation with a Cobalt Catalyst.","Journal of the American Chemical Society","2015","137","41","13244","13247","10.1021/jacs.5b08611","","","0.71073","MoKα","","0.094","0.0509","","","0.1104","0.1263","","","","","","1.035","","","","has coordinates,has disorder","240285","2020-10-21","18:00:00",""
"4129594","16.0692","0.0004","16.4154","0.0009","8.581","0.0007","90","","90","","90","","2263.5","0.2","93","2","93","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C27 H31 Co N2 -","- C27 H31 Co N2 -","- C108 H124 Co4 N8 -","4","0.5","","Chen, Chi; Hecht, Maxwell B.; Kavara, Aydin; Brennessel, William W.; Mercado, Brandon Q.; Weix, Daniel J.; Holland, Patrick L.","Rapid, Regioconvergent, Solvent-Free Alkene Hydrosilylation with a Cobalt Catalyst.","Journal of the American Chemical Society","2015","137","41","13244","13247","10.1021/jacs.5b08611","","","0.71075","MoKα","","0.0324","0.029","","","0.0635","0.065","","","","","","1.089","","","","has coordinates","240285","2020-10-21","18:00:00",""
"4129595","10.6497","0.0004","20.1624","0.0007","22.5333","0.0008","90","","91.188","0.003","90","","4837.4","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C53 H32 F12 I2 N Ni O P -","- C53 H32 F12 I2 N Ni O P -","- C212 H128 F48 I8 N4 Ni4 O4 P4 -","4","1","","Ölscher, Franz; Göttker-Schnetmann, Inigo; Monteil, Vincent; Mecking, Stefan","Role of Radical Species in Salicylaldiminato Ni(II) Mediated Polymer Chain Growth: A Case Study for the Migratory Insertion Polymerization of Ethylene in the Presence of Methyl Methacrylate.","Journal of the American Chemical Society","2015","137","46","14819","14828","10.1021/jacs.5b08612","","","0.71073","MoKα","","0.0427","0.0322","","","0.075","0.0786","","","","","","1.01","","","","has coordinates","240286","2020-10-21","18:00:00",""
"4129596","12.4223","0.0006","12.8711","0.0007","14.3954","0.0007","109.099","0.004","93.475","0.004","96.173","0.004","2151.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H62 N2 Ni2 O4 -","- C46 H62 N2 Ni2 O4 -","- C92 H124 N4 Ni4 O8 -","2","1","","Ölscher, Franz; Göttker-Schnetmann, Inigo; Monteil, Vincent; Mecking, Stefan","Role of Radical Species in Salicylaldiminato Ni(II) Mediated Polymer Chain Growth: A Case Study for the Migratory Insertion Polymerization of Ethylene in the Presence of Methyl Methacrylate.","Journal of the American Chemical Society","2015","137","46","14819","14828","10.1021/jacs.5b08612","","","0.71073","MoKα","","0.0359","0.0264","","","0.0659","0.0679","","","","","","1.011","","","","has coordinates","240287","2020-10-21","18:00:00",""
"4129597","12.797","0.0006","17.3364","0.0008","17.6536","0.001","90","","90","","90","","3916.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H50 N Ni O P -","- C47 H50 N Ni O P -","- C188 H200 N4 Ni4 O4 P4 -","4","1","","Ölscher, Franz; Göttker-Schnetmann, Inigo; Monteil, Vincent; Mecking, Stefan","Role of Radical Species in Salicylaldiminato Ni(II) Mediated Polymer Chain Growth: A Case Study for the Migratory Insertion Polymerization of Ethylene in the Presence of Methyl Methacrylate.","Journal of the American Chemical Society","2015","137","46","14819","14828","10.1021/jacs.5b08612","","","0.71073","MoKα","","0.0546","0.0408","","","0.074","0.0774","","","","","","0.989","","","","has coordinates","240288","2020-10-21","18:00:00",""
"4129598","10.872","0.0008","12.2931","0.0008","16.0585","0.0011","90.736","0.005","102.802","0.006","97.912","0.005","2070.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 N2 Ni O2 -","- C46 H60 N2 Ni O2 -","- C92 H120 N4 Ni2 O4 -","2","1","","Ölscher, Franz; Göttker-Schnetmann, Inigo; Monteil, Vincent; Mecking, Stefan","Role of Radical Species in Salicylaldiminato Ni(II) Mediated Polymer Chain Growth: A Case Study for the Migratory Insertion Polymerization of Ethylene in the Presence of Methyl Methacrylate.","Journal of the American Chemical Society","2015","137","46","14819","14828","10.1021/jacs.5b08612","","","0.71073","MoKα","","0.0891","0.05","","","0.0995","0.1102","","","","","","0.942","","","","has coordinates","240289","2020-10-21","18:00:00",""
"4129599","11.7972","0.0004","28.2682","0.0008","13.0939","0.0004","90","","99.384","0.003","90","","4308.2","0.2","100","2","100.15","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C43 H40 I2 N Ni O P -","- C43 H40 I2 N Ni O P -","- C172 H160 I8 N4 Ni4 O4 P4 -","4","1","","Ölscher, Franz; Göttker-Schnetmann, Inigo; Monteil, Vincent; Mecking, Stefan","Role of Radical Species in Salicylaldiminato Ni(II) Mediated Polymer Chain Growth: A Case Study for the Migratory Insertion Polymerization of Ethylene in the Presence of Methyl Methacrylate.","Journal of the American Chemical Society","2015","137","46","14819","14828","10.1021/jacs.5b08612","","","0.71073","MoKα","","0.0281","0.0237","","","0.0529","0.0543","","","","","","1.036","","","","has coordinates","240290","2020-10-21","18:00:00",""
"4129600","11.3507","0.0006","12.0474","0.0007","21.6176","0.0012","103.295","0.004","94.649","0.004","113.469","0.004","2589.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H60 N Ni O P2 -","- C59 H60 N Ni O P2 -","- C118 H120 N2 Ni2 O2 P4 -","2","1","","Ölscher, Franz; Göttker-Schnetmann, Inigo; Monteil, Vincent; Mecking, Stefan","Role of Radical Species in Salicylaldiminato Ni(II) Mediated Polymer Chain Growth: A Case Study for the Migratory Insertion Polymerization of Ethylene in the Presence of Methyl Methacrylate.","Journal of the American Chemical Society","2015","137","46","14819","14828","10.1021/jacs.5b08612","","","0.71073","MoKα","","0.077","0.0426","","","0.073","0.0789","","","","","","0.901","","","","has coordinates","240292","2020-10-21","18:00:00",""
"4129601","14.0907","0.0006","14.3187","0.0006","17.7215","0.0007","70.75","0.003","84.112","0.002","70.85","0.002","3188.7","0.2","100","2","100.05","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H54 F24 N14 P4 -","- C56 H54 F24 N14 P4 -","- C112 H108 F48 N28 P8 -","2","1","","Henkelis, James J.; Blackburn, Anthea K.; Dale, Edward J.; Vermeulen, Nicolaas A.; Nassar, Majed S.; Stoddart, J. Fraser","Allosteric Modulation of Substrate Binding within a Tetracationic Molecular Receptor.","Journal of the American Chemical Society","2015","137","41","13252","13255","10.1021/jacs.5b08656","","","1.54178","CuKα","","0.1086","0.0925","","","0.2484","0.2608","","","","","","1.057","","","","has coordinates,has disorder","240293","2020-10-21","18:00:00",""
"4129602","8.8489","0.0007","14.241","0.0011","18.2764","0.0014","89.642","0.004","87.887","0.004","78.405","0.004","2254.6","0.3","100","2","100.06","","","","","","","","","9","P -1","-P 1","2","","","","- C52 H60 Cl4 F24 N8 O4 P4 Pd2 S4 -","- C52 H60 Cl4 F24 N8 O4 P4 Pd2 S4 -","- C52 H60 Cl4 F24 N8 O4 P4 Pd2 S4 -","1","0.5","","Henkelis, James J.; Blackburn, Anthea K.; Dale, Edward J.; Vermeulen, Nicolaas A.; Nassar, Majed S.; Stoddart, J. Fraser","Allosteric Modulation of Substrate Binding within a Tetracationic Molecular Receptor.","Journal of the American Chemical Society","2015","137","41","13252","13255","10.1021/jacs.5b08656","","","0.71073","MoKα","","0.0703","0.0608","","","0.1721","0.1781","","","","","","1.106","","","","has coordinates,has disorder","240294","2020-10-21","18:00:00",""
"4129603","26.65","0.002","26.65","0.002","9.8528","0.0009","90","","90","","90","","6997.7","1","100","2","99.99","","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C54 H58 F24 Fe N8 P4 -","- C54 H58 F24 Fe N8 P4 -","- C216 H232 F96 Fe4 N32 P16 -","4","0.25","","Henkelis, James J.; Blackburn, Anthea K.; Dale, Edward J.; Vermeulen, Nicolaas A.; Nassar, Majed S.; Stoddart, J. Fraser","Allosteric Modulation of Substrate Binding within a Tetracationic Molecular Receptor.","Journal of the American Chemical Society","2015","137","41","13252","13255","10.1021/jacs.5b08656","","","1.54178","CuKα","","0.117","0.101","","","0.2405","0.248","","","","","","1.053","","","","has coordinates,has disorder","240295","2020-10-21","18:00:00",""
"4129604","8.8931","0.0017","22.261","0.004","7.8277","0.0014","90","","90","","90","","1549.6","0.5","123","2","123","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","(3R,3aS,6R,7S,7aS)-Phenyl-3,7-dibromo-2-oxohexahydro -3,6-methanofuro[3,2-b]pyridine-4(2H)-carboxylate","","","- C15 H13 Br2 N O4 -","- C15 H13 Br2 N O4 -","- C60 H52 Br8 N4 O16 -","4","1","","Hatano, Manabu; Goto, Yuta; Izumiseki, Atsuto; Akakura, Matsujiro; Ishihara, Kazuaki","Boron Tribromide-Assisted Chiral Phosphoric Acid Catalyst for a Highly Enantioselective Diels-Alder Reaction of 1,2-Dihydropyridines.","Journal of the American Chemical Society","2015","137","42","13472","13475","10.1021/jacs.5b08693","","","0.71075","MoKα","","0.0364","0.0285","","","0.0506","0.052","","","","","","0.91","","","","has coordinates","240296","2020-10-21","18:00:00",""
"4129605","6.365","0.002","12.061","0.004","12.52","0.004","90","","90","","90","","961.1","0.5","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(3S,3aS,5R,6R,6aR)-6-Bromo-3-(trifluoromethyl)hexahydro -2H-3,5-methanocyclopenta[b]furan-2-one","","","- C9 H8 Br F3 O2 -","- C9 H8 Br F3 O2 -","- C36 H32 Br4 F12 O8 -","4","1","","Hatano, Manabu; Goto, Yuta; Izumiseki, Atsuto; Akakura, Matsujiro; Ishihara, Kazuaki","Boron Tribromide-Assisted Chiral Phosphoric Acid Catalyst for a Highly Enantioselective Diels-Alder Reaction of 1,2-Dihydropyridines.","Journal of the American Chemical Society","2015","137","42","13472","13475","10.1021/jacs.5b08693","","","0.71075","MoKα","","0.0192","0.0173","","","0.036","0.0362","","","","","","0.862","","","","has coordinates","240297","2020-10-21","18:00:00",""
"4129606","9.3002","0.001","5.7332","0.0006","37.635","0.004","90","","96.688","0.007","90","","1993","0.4","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 F3 O4 -","- C22 H21 F3 O4 -","- C88 H84 F12 O16 -","4","2","","Wu, Xiang; Lin, Hua-Chen; Li, Ming-Li; Li, Lu-Lu; Han, Zhi-Yong; Gong, Liu-Zhu","Enantioselective 1,2-Difunctionalization of Dienes Enabled by Chiral Palladium Complex-Catalyzed Cascade Arylation/Allylic Alkylation Reaction.","Journal of the American Chemical Society","2015","137","42","13476","13479","10.1021/jacs.5b08734","","","1.54178","CuKα","","0.0761","0.0705","","","0.1933","0.1982","","","","","","1.063","","","","has coordinates","240298","2020-10-21","18:00:00",""
"4129607","16.7165","0.0016","9.0824","0.0008","29.495","0.003","90","","101.756","0.007","90","","4384.2","0.7","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C47 H46.5 N5.5 O6 -","- C47 H46.5 N5.5 O6 -","- C188 H186 N22 O24 -","4","1","","Tresca, Blakely W.; Hansen, Ryan J.; Chau, Calvin V.; Hay, Benjamin P.; Zakharov, Lev N.; Haley, Michael M.; Johnson, Darren W.","Substituent Effects in CH Hydrogen Bond Interactions: Linear Free Energy Relationships and Influence of Anions.","Journal of the American Chemical Society","2015","137","47","14959","14967","10.1021/jacs.5b08767","","","1.54178","CuKα","","0.127","0.1023","","","0.284","0.3018","","","","","","1.083","","","","has coordinates","240299","2020-10-21","18:00:00",""
"4129608","9.6545","0.0014","16.056","0.002","18.637","0.003","90","","93.342","0.002","90","","2884.1","0.7","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 F12 N8 O18 Pd2 Rh2 S4 -","- C36 H56 F12 N8 O18 Pd2 Rh2 S4 -","- C72 H112 F24 N16 O36 Pd4 Rh4 S8 -","2","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.0736","0.045","","","0.0866","0.0983","","","","","","0.95","","","","has coordinates,has disorder","240300","2020-10-21","18:00:00",""
"4129609","15.226","0.002","16.217","0.002","16.576","0.003","70.478","0.002","70.163","0.002","82.134","0.002","3627.5","0.9","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C77 H114 F24 Ir4 N20 O38 Pd4 S8 -","- C75 H104 F18 Ir4 N20 O32 Pd4 S6 -","- C75 H104 F18 Ir4 N20 O32 Pd4 S6 -","1","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1075","0.0576","","","0.1591","0.186","","","","","","0.946","","","","has coordinates","240300","2020-10-21","18:00:00",""
"4129610","15.1375","0.0017","16.3127","0.0018","16.5691","0.0018","70.251","0.002","70.323","0.002","81.884","0.002","3624.2","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C85 H146 F24 N20 O44 Pd4 Rh4 S8 -","- C79 H104 F18 N20 O32 Pd4 Rh4 S6 -","- C79 H104 F18 N20 O32 Pd4 Rh4 S6 -","1","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.0937","0.0641","","","0.1958","0.2173","","","","","","1.048","","","","has coordinates","240300","2020-10-21","18:00:00",""
"4129611","16.111","0.002","16.673","0.002","16.744","0.002","61.135","0.002","63.658","0.002","73.515","0.002","3516","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C88 H136 F24 Ir4 N20 O42 Pd4 S12 -","- C84 H104 F24 Ir4 N20 O34 Pd4 S12 -","- C84 H104 F24 Ir4 N20 O34 Pd4 S12 -","1","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1164","0.0626","","","0.1673","0.2014","","","","","","0.964","","","","has coordinates,has disorder","240300","2020-10-21","18:00:00",""
"4129612","25.934","0.003","19.55","0.002","37.42","0.004","90","","107.799","0.002","90","","18064","3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C146 H184 F24 Ir8 N16 O40 S8 -","- C138.5 H156 F19.5 Ir8 N16 O28.5 S6.5 -","- C554 H624 F78 Ir32 N64 O114 S26 -","4","1","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1325","0.0907","","","0.2405","0.2673","","","","","","1.051","","","","has coordinates,has disorder","240301","2020-10-21","18:00:00",""
"4129613","17.305","0.003","22.004","0.004","26.541","0.004","81.648","0.003","83.117","0.003","67.148","0.002","9192","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C150 H202 F24 N16 O45 Rh8 S8 -","- C141 H156 F21 N16 O32 Rh8 S7 -","- C282 H312 F42 N32 O64 Rh16 S14 -","2","1","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1136","0.0865","","","0.2575","0.2796","","","","","","1.076","","","","has coordinates","240301","2020-10-21","18:00:00",""
"4129614","41.671","0.004","17.4453","0.0018","27.235","0.003","90","","90","","90","","19799","4","173","2","173","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C158 H198 Cl12 F24 N16 O35 Rh8 S8 -","- C145 H166 Cl10 F24 N16 O32 Rh8 S8 -","- C580 H664 Cl40 F96 N64 O128 Rh32 S32 -","4","1","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1016","0.0659","","","0.1529","0.1684","","","","","","0.995","","","","has coordinates,has disorder","240301","2020-10-21","18:00:00",""
"4129615","13.862","0.002","17.169","0.003","20.376","0.005","98.627","0.003","99.679","0.004","113.369","0.002","4260.6","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C140 H156 F24 N16 O32 Rh8 S8 -","- C134 H156 F6 N16 O14 Rh8 S2 -","- C134 H156 F6 N16 O14 Rh8 S2 -","1","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1856","0.1083","","","0.2912","0.3388","","","","","","0.936","","","","has coordinates,has disorder","240301","2020-10-21","18:00:00",""
"4129616","43.67","0.004","17.2609","0.0017","25.04","0.003","90","","95.648","0.002","90","","18783","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C156 H192 F24 N16 O38 Rh8 S8 -","- C147 H164 F18 N16 O28 Rh8 S6 -","- C588 H656 F72 N64 O112 Rh32 S24 -","4","1","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1068","0.073","","","0.203","0.2211","","","","","","1.054","","","","has coordinates,has disorder","240302","2020-10-21","18:00:00",""
"4129617","28.391","0.004","12.7043","0.0017","37.273","0.005","90","","90","","90","","13444","3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C53 H74 Cl4 F6 Ir4 N4 O11 S2 -","- C49 H64 Cl4 F6 Ir4 N4 O10 S2 -","- C392 H512 Cl32 F48 Ir32 N32 O80 S16 -","8","1","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.0841","0.069","","","0.1351","0.1399","","","","","","1.181","","","","has coordinates","240302","2020-10-21","18:00:00",""
"4129618","25.419","0.003","15.7157","0.0017","35.284","0.004","90","","110.716","0.002","90","","13184","3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C108 H150 Cl4 F12 Ir8 N12 O26 S4 -","- C104 H130 Cl4 F6 Ir8 N12 O18 S2 -","- C416 H520 Cl16 F24 Ir32 N48 O72 S8 -","4","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1394","0.0891","","","0.2492","0.2789","","","","","","1.039","","","","has coordinates,has disorder","240302","2020-10-21","18:00:00",""
"4129619","37.603","0.005","21.407","0.003","38.008","0.005","90","","106.131","0.002","90","","29391","7","193","2","193","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C195 H260 Cl32 F18 Ir12 N24 O40 S6 -","- C177 H212 Cl8 F6 Ir12 N24 O18 S2 -","- C708 H848 Cl32 F24 Ir48 N96 O72 S8 -","4","1","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.2182","0.1135","","","0.2877","0.3382","","","","","","0.904","","","","has coordinates","240302","2020-10-21","18:00:00",""
"4129620","11.4474","0.0015","12.5516","0.0017","12.707","0.0017","81.269","0.002","75.921","0.002","78.018","0.002","1722.5","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H68 Cl2 F12 Ir4 N4 O18 S4 -","- C51 H62 Cl2 F12 Ir4 N4 O18 S4 -","- C51 H62 Cl2 F12 Ir4 N4 O18 S4 -","1","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.0698","0.0512","","","0.1512","0.1936","","","","","","1.064","","","","has coordinates,has disorder","240303","2020-10-21","18:00:00",""
"4129621","14.2766","0.0015","12.9614","0.0014","23.346","0.003","90","","105.117","0.002","90","","4170.6","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H90 F12 Ir4 N14 O20 S4 -","- C60 H74 F6 Ir4 N8 O14 S2 -","- C120 H148 F12 Ir8 N16 O28 S4 -","2","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.0611","0.0498","","","0.139","0.1464","","","","","","1.104","","","","has coordinates,has disorder","240303","2020-10-21","18:00:00",""
"4129622","12.6919","0.0009","13.366","0.0009","22.7913","0.0016","90","","100.487","0.001","90","","3801.7","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H86 F12 N4 O22 Rh4 S4 -","- C56 H86 F12 N4 O22 Rh4 S4 -","- C112 H172 F24 N8 O44 Rh8 S8 -","2","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.0498","0.0417","","","0.1161","0.1266","","","","","","1.119","","","","has coordinates","240303","2020-10-21","18:00:00",""
"4129623","15.2242","0.0018","16.905","0.002","18.103","0.002","64.831","0.002","69.578","0.002","89.812","0.002","3893.4","0.8","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C122 H160 Cl4 F24 N16 O36 Rh8 S8 -","- C117 H144 Cl4 F21 N16 O29 Rh8 S7 -","- C117 H144 Cl4 F21 N16 O29 Rh8 S7 -","1","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1545","0.0959","","","0.266","0.3178","","","","","","1.037","","","","has coordinates,has disorder","240303","2020-10-21","18:00:00",""
"4129624","30.1088","0.0011","30.1088","0.0011","30.1088","0.0011","90","","90","","90","","27294.8","1.7","250","2","250","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C312 H210 O32 Zr6 -","- C309 H210 O32 Zr6 -","- C309 H210 O32 Zr6 -","1","0.0208333","","Deria, Pravas; Gómez-Gualdrón, Diego A; Bury, Wojciech; Schaef, Herbert T.; Wang, Timothy C.; Thallapally, Praveen K.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Farha, Omar K.","Ultraporous, Water Stable, and Breathing Zirconium-Based Metal-Organic Frameworks with ftw Topology.","Journal of the American Chemical Society","2015","137","40","13183","13190","10.1021/jacs.5b08860","","","1.54178","CuKα","","0.0756","0.07","","","0.22","0.2291","","","","","","1.155","","","","has coordinates,has disorder","240304","2020-10-21","18:00:00",""
"4129625","9.3233","0.0002","13.2062","0.0003","25.781","0.0006","90","","94.118","0.001","90","","3166.1","0.12","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 B F4 Ir O3 P -","- C35 H35 B1.001 F4.004 Ir O3 P -","- C140 H140 B4.004 F16.016 Ir4 O12 P4 -","4","1","","Madrahimov, Sherzod T.; Li, Qian; Sharma, Ankit; Hartwig, John F.","Origins of Regioselectivity in Iridium Catalyzed Allylic Substitution.","Journal of the American Chemical Society","2015","137","47","14968","14981","10.1021/jacs.5b08911","","","0.71073","MoKα","","0.027","0.0225","","","0.0538","0.0562","","","","","","1.025","","","","has coordinates,has disorder","240305","2020-10-21","18:00:00",""
"4129626","8.2096","0.0004","10.3606","0.0006","12.5374","0.0007","78.356","0.005","86.755","0.004","78.294","0.005","1022.58","0.1","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 F O3 -","- C25 H27 F O3 -","- C50 H54 F2 O6 -","2","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.0526","0.0406","","","0.104","0.111","","","","","","1.042","","","","has coordinates","240306","2020-10-21","18:00:00",""
"4129627","12.365","0.0004","7.1455","0.0002","24.4499","0.0011","90","","100.506","0.004","90","","2124.03","0.13","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 O5.5 -","- C23 H35 O5.5 -","- C92 H140 O22 -","4","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.0768","0.0495","","","0.1198","0.1351","","","","","","1.038","","","","has coordinates","240307","2020-10-21","18:00:00",""
"4129628","7.3277","0.0007","12.5761","0.0016","16.8309","0.0013","68.764","0.009","78.415","0.008","85.076","0.009","1416.1","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H35 N O6 Si -","- C29 H35 N O6 Si -","- C58 H70 N2 O12 Si2 -","2","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.0891","0.061","","","0.156","0.1806","","","","","","1.047","","","","has coordinates","240308","2020-10-21","18:00:00",""
"4129629","12.6632","0.0003","14.6384","0.0004","11.1116","0.0003","90","","115.882","0.003","90","","1853.14","0.1","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 O3 -","- C23 H26 O3 -","- C92 H104 O12 -","4","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","1.54184","CuKα","","0.0618","0.0572","","","0.1537","0.1596","","","","","","1.06","","","","has coordinates","240309","2020-10-21","18:00:00",""
"4129630","18.9567","0.0008","7.1117","0.0003","25.0982","0.0011","90","","108.936","0.005","90","","3200.5","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H41 N O8 -","- C35 H41 N O8 -","- C140 H164 N4 O32 -","4","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.0983","0.0559","","","0.1209","0.1453","","","","","","1.022","","","","has coordinates","240310","2020-10-21","18:00:00",""
"4129631","9.54847","0.00018","20.5798","0.0003","9.2024","0.00015","90","","97.8741","0.0018","90","","1791.27","0.05","126","9","126","9","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 O2 -","- C20 H34 O2 -","- C80 H136 O8 -","4","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","1.54184","CuKα","","0.0644","0.0591","","","0.1485","0.1558","","","","","","1.039","","","","has coordinates","240311","2020-10-21","18:00:00",""
"4129632","7.3411","0.0004","11.6358","0.0006","15.8361","0.0008","89.249","0.004","79.724","0.004","79.991","0.004","1310.53","0.12","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H31 N O8 -","- C27 H29 N O7 -","- C54 H58 N2 O14 -","2","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.0977","0.067","","","0.1858","0.2088","","","","","","1.05","","","","has coordinates","240312","2020-10-21","18:00:00",""
"4129633","7.3015","0.0006","11.9676","0.0008","18.1605","0.0011","104.911","0.006","91.06","0.006","90.15","0.006","1533.15","0.19","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 F N O7 -","- C34 H38 F N O7 -","- C68 H76 F2 N2 O14 -","2","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.0823","0.0603","","","0.1632","0.1783","","","","","","1.075","","","","has coordinates","240313","2020-10-21","18:00:00",""
"4129634","11.7541","0.0007","36.2871","0.0018","7.3993","0.0005","90","","106.438","0.007","90","","3027","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 N O7 -","- C34 H39 N O7 -","- C136 H156 N4 O28 -","4","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.107","0.0761","","","0.1884","0.2105","","","","","","1.059","","","","has coordinates","240314","2020-10-21","18:00:00",""
"4129635","7.3753","0.0004","13.5428","0.0007","19.1838","0.001","90","","90","","90","","1916.12","0.17","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 O6 -","- C21 H34 O6 -","- C84 H136 O24 -","4","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.063","0.0428","","","0.0873","0.0946","","","","","","0.964","","","","has coordinates","240315","2020-10-21","18:00:00",""
"4129636","18.1271","0.0003","10.22139","0.00013","21.7064","0.0002","90","","101.053","0.0012","90","","3947.24","0.09","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 O5 -","- C21 H34 O5 -","- C168 H272 O40 -","8","2","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","1.54184","CuKα","","0.063","0.0557","","","0.1513","0.1597","","","","","","1.046","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4129637","7.4515","0.0004","11.8729","0.0006","11.9755","0.0005","74.697","0.004","85.538","0.004","79.449","0.005","1004.15","0.09","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C25 H28 O3 -","- C25 H28 O3 -","- C50 H56 O6 -","2","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","1.54184","CuKα","","0.0649","0.0592","","","0.1594","0.1689","","","","","","1.033","","","","has coordinates","240317","2020-10-21","18:00:00",""
"4129638","19.6962","0.0002","9.17775","0.00013","22.1774","0.0003","90","","91.7035","0.0012","90","","4007.17","0.09","293","2","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H36 O5 -","- C21 H36 O5 -","- C168 H288 O40 -","8","2","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","1.54184","CuKα","","0.0838","0.0684","","","0.1866","0.2045","","","","","","1.067","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4129639","7.3873","0.0004","16.6013","0.0008","19.964","0.001","90","","99.818","0.005","90","","2412.5","0.2","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 O4 Si -","- C24 H38 O4 Si -","- C96 H152 O16 Si4 -","4","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","","0.71073","MoKα","","0.0644","0.0456","","","0.1121","0.1213","","","","","","1.031","","","","has coordinates","240319","2020-10-21","18:00:00",""
"4129640","23.0976","0.0011","16.3769","0.0007","17.8356","0.0007","90","","100.03","0.001","90","","6643.5","0.5","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H92 Fe6 N15 -","- C72 H92 Fe6 N15 -","- C288 H368 Fe24 N60 -","4","0.5","","Hernández Sánchez, Raúl; Betley, Theodore A.","Meta-Atom Behavior in Clusters Revealing Large Spin Ground States.","Journal of the American Chemical Society","2015","137","43","13949","13956","10.1021/jacs.5b08962","","","0.40651","Synchrotron","","0.051","0.0387","","","0.1086","0.1258","","","","","","1.182","","","","has coordinates,has disorder","240320","2020-10-21","18:00:00",""
"4129641","22.499","0.002","17.6805","0.0017","17.0814","0.0016","90","","101.082","0.001","90","","6668.2","1.1","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H98 Fe6 N15 O2 -","- C68 H98 Fe6 N15 O2 -","- C272 H392 Fe24 N60 O8 -","4","0.5","","Hernández Sánchez, Raúl; Betley, Theodore A.","Meta-Atom Behavior in Clusters Revealing Large Spin Ground States.","Journal of the American Chemical Society","2015","137","43","13949","13956","10.1021/jacs.5b08962","","","0.71073","MoKα","","0.0247","0.0211","","","0.0534","0.0555","","","","","","1.022","","","","has coordinates,has disorder","240320","2020-10-21","18:00:00",""
"4129642","7.33","0.002","7.583","0.002","11.831","0.003","85.465","0.005","86.04","0.005","86.498","0.005","653","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H16 Cl2 N6 O Pt -","- C7 H16 Cl2 N6 O Pt -","- C14 H32 Cl4 N12 O2 Pt2 -","2","1","","Wirth, Regina; White, Jonathan D.; Moghaddam, Alan D.; Ginzburg, Aurora L.; Zakharov, Lev N.; Haley, Michael M.; DeRose, Victoria J.","Azide vs Alkyne Functionalization in Pt(II) Complexes for Post-treatment Click Modification: Solid-State Structure, Fluorescent Labeling, and Cellular Fate.","Journal of the American Chemical Society","2015","137","48","15169","15175","10.1021/jacs.5b09108","","","0.71073","MoKα","","0.0627","0.0403","","","0.0644","0.0704","","","","","","1.011","","","","has coordinates","240321","2020-10-21","18:00:00",""
"4129643","11.2823","0.0002","22.5577","0.0004","28.63","0.002","90","","90","","90","","7286.4","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 Br2 N O3 -","- C22.6667 H28 Br2 N O3 -","- C272 H336 Br24 N12 O36 -","12","3","","Zhang, Jian; Lin, Shao-Xia; Cheng, Dao-Juan; Liu, Xin-Yuan; Tan, Bin","Phosphoric acid-catalyzed asymmetric classic Passerini reaction.","Journal of the American Chemical Society","2015","137","44","14039","14042","10.1021/jacs.5b09117","","","1.54187","CuKα","","0.0893","0.0724","","","0.2024","0.2209","","","","","","1.123","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4129644","8.0323","0.0002","10.4276","0.0003","12.6489","0.0003","90.916","0.002","102.405","0.002","91.048","0.003","1034.32","0.05","180.01","0.1","180.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H27 N O2 Sn2 -","- C17 H27 N O2 Sn2 -","- C34 H54 N2 O4 Sn4 -","2","1","","Liu, Zhenxing; Tan, Haocheng; Fu, Tianren; Xia, Ying; Qiu, Di; Zhang, Yan; Wang, Jianbo","Pd(0)-Catalyzed Carbene Insertion into Si-Si and Sn-Sn Bonds.","Journal of the American Chemical Society","2015","137","40","12800","12803","10.1021/jacs.5b09135","","","0.71073","MoKα","","0.0373","0.0347","","","0.0938","0.0966","","","","","","1.053","","","","has coordinates","240323","2020-10-21","18:00:00",""
"4129645","10.213","0.004","11.096","0.005","15.471","0.007","102.123","0.011","92.776","0.01","115.93","0.009","1521.8","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H37 N O4 S -","- C33 H37 N O4 S -","- C66 H74 N2 O8 S2 -","2","1","","Lu, Zhaohong; Li, Hailong; Bian, Ming; Li, Ang","Total Synthesis of Epoxyeujindole A.","Journal of the American Chemical Society","2015","137","43","13764","13767","10.1021/jacs.5b09198","","","0.71073","MoKα","","0.1612","0.0832","","","0.1829","0.2104","","","","","","0.898","","","","has coordinates","240324","2020-10-21","18:00:00",""
"4129646","11.982","0.002","16.625","0.003","15.76","0.003","90","","92.09","0.03","90","","3137.3","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H43 N O5 S -","- C35 H43 N O5 S -","- C140 H172 N4 O20 S4 -","4","1","","Lu, Zhaohong; Li, Hailong; Bian, Ming; Li, Ang","Total Synthesis of Epoxyeujindole A.","Journal of the American Chemical Society","2015","137","43","13764","13767","10.1021/jacs.5b09198","","","1.54178","CuKα","","0.0457","0.0444","","","0.1221","0.1234","","","","","","1.031","","","","has coordinates","240325","2020-10-21","18:00:00",""
"4129647","9.0368","0.0002","11.3775","0.0003","22.1398","0.0005","90","","90","","90","","2276.33","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 N O -","- C28 H35 N O -","- C112 H140 N4 O4 -","4","1","","Lu, Zhaohong; Li, Hailong; Bian, Ming; Li, Ang","Total Synthesis of Epoxyeujindole A.","Journal of the American Chemical Society","2015","137","43","13764","13767","10.1021/jacs.5b09198","","","1.54178","CuKα","","0.0429","0.0422","","","0.1154","0.1164","","","","","","1.045","","","","has coordinates","240326","2020-10-21","18:00:00",""
"4129648","15.5047","0.0007","9.1321","0.0003","16.5055","0.0006","90","","110.485","0.0017","90","","2189.24","0.15","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 N2 O3 Si -","- C23 H28 N2 O3 Si -","- C92 H112 N8 O12 Si4 -","4","1","","Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok","Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.","Journal of the American Chemical Society","2015","137","48","15176","15184","10.1021/jacs.5b09209","","","0.71073","MoKα","","0.0747","0.0494","","","0.1208","0.1364","","","","","","1.029","","","","has coordinates","240327","2020-10-21","18:00:00",""
"4129649","8.798","0.003","8.917","0.005","15.981","0.007","92.26","0.03","100.248","0.01","97.674","0.013","1220.1","1","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","'GNL-15'","","- C22 H34 N2 O3 S Si2 -","- C22 H34 N2 O3 S Si2 -","- C44 H68 N4 O6 S2 Si4 -","2","1","","Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok","Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.","Journal of the American Chemical Society","2015","137","48","15176","15184","10.1021/jacs.5b09209","","","0.71073","MoKα","","0.0719","0.0485","","","0.113","0.1302","","","","","","1.043","","","","has coordinates","240328","2020-10-21","18:00:00",""
"4129650","14.9108","0.0005","14.9108","0.0005","9.1435","0.0004","90","","90","","90","","2032.89","0.13","120","2","120","2","","","","","","","","6","P 43","P 4cw","78","","","","- C20 H28 N2 O2 S Si -","- C20 H28 N2 O2 S Si -","- C80 H112 N8 O8 S4 Si4 -","4","1","","Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok","Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.","Journal of the American Chemical Society","2015","137","48","15176","15184","10.1021/jacs.5b09209","","","0.71073","MoKα","","0.0443","0.037","","","0.0768","0.08","","","","","","1.394","","","","has coordinates,has disorder","240329","2020-10-21","18:00:00",""
"4129651","9.9346","0.0013","11.8387","0.0016","11.9667","0.0016","65.486","0.002","88.359","0.003","75.099","0.003","1232.6","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 N2 O3 S Si2 -","- C24 H30 N2 O3 S Si2 -","- C48 H60 N4 O6 S2 Si4 -","2","1","","Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok","Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.","Journal of the American Chemical Society","2015","137","48","15176","15184","10.1021/jacs.5b09209","","","0.71073","MoKα","","0.136","0.0698","","","0.1302","0.2015","","","","","","1.102","","","","has coordinates","240330","2020-10-21","18:00:00",""
"4129652","6.985","0.004","25.542","0.013","13.145","0.007","90","","103.904","0.011","90","","2276","2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N2 O2 S Si -","- C24 H27 N2 O2 S Si -","- C96 H108 N8 O8 S4 Si4 -","4","1","","Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok","Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.","Journal of the American Chemical Society","2015","137","48","15176","15184","10.1021/jacs.5b09209","","","0.71073","MoKα","","0.1425","0.0596","","","0.1061","0.1384","","","","","","0.894","","","","has coordinates","240331","2020-10-21","18:00:00",""
"4129653","10.1102","0.0006","11.8677","0.0007","12.8084","0.0008","114.094","0.002","94.621","0.003","97.477","0.003","1375.74","0.15","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 N2 O5 S -","- C12 H16 N2 O5 S -","- C48 H64 N8 O20 S4 -","4","2","","Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok","Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.","Journal of the American Chemical Society","2015","137","48","15176","15184","10.1021/jacs.5b09209","","","0.71073","MoKα","","0.0717","0.0434","","","0.0997","0.1108","","","","","","1.063","","","","has coordinates","240332","2020-10-21","18:00:00",""
"4129654","55.519","0.002","5.7867","0.0002","14.4737","0.0005","90","","102.893","0.0018","90","","4532.8","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 N2 O4 S Si -","- C22 H30 N2 O4 S Si -","- C176 H240 N16 O32 S8 Si8 -","8","1","","Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok","Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.","Journal of the American Chemical Society","2015","137","48","15176","15184","10.1021/jacs.5b09209","","","0.71073","MoKα","","0.123","0.0658","","","0.1463","0.1697","","","","","","1.033","","","","has coordinates","240333","2020-10-21","18:00:00",""
"4129655","11.1136","0.0005","13.0349","0.0006","15.1054","0.0007","105.894","0.002","102.502","0.002","104.711","0.002","1936.99","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H47 Cl3 N3 Ti Zn -","- C39 H47 Cl3 N3 Ti Zn -","- C78 H94 Cl6 N6 Ti2 Zn2 -","2","1","","Streuff, Jan; Feurer, Markus; Frey, Georg; Steffani, Alberto; Kacprzak, Sylwia; Weweler, Jens; Leijendekker, Leonardus H.; Kratzert, Daniel; Plattner, Dietmar A.","Mechanism of the Ti(III)-Catalyzed Acyloin-Type Umpolung: A Catalyst-Controlled Radical Reaction.","Journal of the American Chemical Society","2015","137","45","14396","14405","10.1021/jacs.5b09223","","x-ray","0.71073","MoKα","","0.0383","0.0303","","","0.0702","0.0736","","","","","","1.047","","","","has coordinates,has disorder","240334","2020-10-21","18:00:00",""
"4129656","12.511","0.0008","10.9853","0.0007","13.289","0.0009","90","","93.071","0.002","90","","1823.8","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H31 Cl3 N2 Zn -","- C12 H31 Cl3 N2 Zn -","- C48 H124 Cl12 N8 Zn4 -","4","1","","Streuff, Jan; Feurer, Markus; Frey, Georg; Steffani, Alberto; Kacprzak, Sylwia; Weweler, Jens; Leijendekker, Leonardus H.; Kratzert, Daniel; Plattner, Dietmar A.","Mechanism of the Ti(III)-Catalyzed Acyloin-Type Umpolung: A Catalyst-Controlled Radical Reaction.","Journal of the American Chemical Society","2015","137","45","14396","14405","10.1021/jacs.5b09223","","x-ray","0.71073","MoKα","","0.0176","0.0161","","","0.0408","0.0414","","","","","","1.007","","","","has coordinates","240335","2020-10-21","18:00:00",""
"4129657","23.8731","0.0007","7.6684","0.0017","8.113","0.008","90","","90","","90","","1485.2","1.5","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H34 Cl2 N2 Ti2 -","- C36 H34 Cl2 N2 Ti2 -","- C72 H68 Cl4 N4 Ti4 -","2","0.5","","Streuff, Jan; Feurer, Markus; Frey, Georg; Steffani, Alberto; Kacprzak, Sylwia; Weweler, Jens; Leijendekker, Leonardus H.; Kratzert, Daniel; Plattner, Dietmar A.","Mechanism of the Ti(III)-Catalyzed Acyloin-Type Umpolung: A Catalyst-Controlled Radical Reaction.","Journal of the American Chemical Society","2015","137","45","14396","14405","10.1021/jacs.5b09223","","","0.71073","MoKα","","0.0544","0.0417","","","0.0891","0.0939","","","","","","1.019","","","","has coordinates","240336","2020-10-21","18:00:00",""
"4129658","13.56","0.004","14.303","0.004","18.204","0.005","106.007","0.005","108.619","0.005","101.864","0.005","3044.5","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C148 H182 F8 O2 P2 Pd2 -","- C148 H182 F8 O2 P2 Pd2 -","- C148 H182 F8 O2 P2 Pd2 -","1","0.5","","Sather, Aaron C.; Lee, Hong Geun; De La Rosa, Valentina Y.; Yang, Yang; Müller, Peter; Buchwald, Stephen L.","A Fluorinated Ligand Enables Room-Temperature and Regioselective Pd-Catalyzed Fluorination of Aryl Triflates and Bromides.","Journal of the American Chemical Society","2015","137","41","13433","13438","10.1021/jacs.5b09308","","","0.71073","MoKα","","0.0934","0.0514","","","0.1061","0.1238","","","","","","1.014","","","","has coordinates,has disorder","240337","2020-10-21","18:00:00",""
"4129659","11.3764","0.0011","12.97","0.0013","22.324","0.002","103.595","0.002","95.966","0.002","104.173","0.002","3058.3","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H95 Br Cl3 O2 P Pd -","- C67 H95 Br Cl3 O2 P Pd -","- C134 H190 Br2 Cl6 O4 P2 Pd2 -","2","1","","Sather, Aaron C.; Lee, Hong Geun; De La Rosa, Valentina Y.; Yang, Yang; Müller, Peter; Buchwald, Stephen L.","A Fluorinated Ligand Enables Room-Temperature and Regioselective Pd-Catalyzed Fluorination of Aryl Triflates and Bromides.","Journal of the American Chemical Society","2015","137","41","13433","13438","10.1021/jacs.5b09308","","","0.71073","MoKα","","0.0488","0.0434","","","0.112","0.1153","","","","","","1.081","","","","has coordinates,has disorder","240337","2020-10-21","18:00:00",""
"4129660","11.5876","0.0003","13.0465","0.0004","23.2961","0.0007","104.095","0.0016","93.6755","0.0017","105.532","0.0017","3259.41","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H86.5 Br1.5 F4 O P Pd -","- C67 H86.5 Br1.5 F4 O P Pd -","- C134 H173 Br3 F8 O2 P2 Pd2 -","2","1","","Sather, Aaron C.; Lee, Hong Geun; De La Rosa, Valentina Y.; Yang, Yang; Müller, Peter; Buchwald, Stephen L.","A Fluorinated Ligand Enables Room-Temperature and Regioselective Pd-Catalyzed Fluorination of Aryl Triflates and Bromides.","Journal of the American Chemical Society","2015","137","41","13433","13438","10.1021/jacs.5b09308","","","0.71073","MoKα","","0.0535","0.0404","","","0.1032","0.1113","","","","","","1.036","","","","has coordinates,has disorder","240337","2020-10-21","18:00:00",""
"4129661","14.2179","0.0011","24.1395","0.0018","16.4947","0.0013","90","","101.013","0.0015","90","","5556.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H89 F O2 P Pd -","- C66 H89 F O2 P Pd -","- C264 H356 F4 O8 P4 Pd4 -","4","1","","Sather, Aaron C.; Lee, Hong Geun; De La Rosa, Valentina Y.; Yang, Yang; Müller, Peter; Buchwald, Stephen L.","A Fluorinated Ligand Enables Room-Temperature and Regioselective Pd-Catalyzed Fluorination of Aryl Triflates and Bromides.","Journal of the American Chemical Society","2015","137","41","13433","13438","10.1021/jacs.5b09308","","","0.71073","MoKα","","0.0575","0.0375","","","0.0781","0.0864","","","","","","1.035","","","","has coordinates,has disorder","240337","2020-10-21","18:00:00",""
"4129662","11.9578","0.0012","12.9323","0.0013","23.306","0.002","89.38","0.003","87.966","0.003","66.94","0.003","3314","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H96 Br F4 O2 P Pd -","- C77 H96 Br F4 O2 P Pd -","- C154 H192 Br2 F8 O4 P2 Pd2 -","2","1","","Sather, Aaron C.; Lee, Hong Geun; De La Rosa, Valentina Y.; Yang, Yang; Müller, Peter; Buchwald, Stephen L.","A Fluorinated Ligand Enables Room-Temperature and Regioselective Pd-Catalyzed Fluorination of Aryl Triflates and Bromides.","Journal of the American Chemical Society","2015","137","41","13433","13438","10.1021/jacs.5b09308","","","0.71073","MoKα","","0.0825","0.0482","","","0.115","0.1349","","","","","","1.016","","","","has coordinates,has disorder","240337","2020-10-21","18:00:00",""
"4129663","11.5492","0.0008","12.6883","0.0009","19.6753","0.0014","84.628","0.002","73.788","0.001","83.385","0.001","2744.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H86 Br O3 P Pd -","- C64 H86 Br O3 P Pd -","- C128 H172 Br2 O6 P2 Pd2 -","2","1","","Sather, Aaron C.; Lee, Hong Geun; De La Rosa, Valentina Y.; Yang, Yang; Müller, Peter; Buchwald, Stephen L.","A Fluorinated Ligand Enables Room-Temperature and Regioselective Pd-Catalyzed Fluorination of Aryl Triflates and Bromides.","Journal of the American Chemical Society","2015","137","41","13433","13438","10.1021/jacs.5b09308","","","0.71073","MoKα","","0.0594","0.044","","","0.0992","0.1061","","","","","","1.061","","","","has coordinates,has disorder","240337","2020-10-21","18:00:00",""
"4129664","11.364","0.003","7.4049","0.0019","12.903","0.004","90","","111.522","0.004","90","","1010.1","0.5","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O2 S -","- C22 H24 N2 O2 S -","- C44 H48 N4 O4 S2 -","2","1","","Uraguchi, Daisuke; Kinoshita, Natsuko; Kizu, Tomohito; Ooi, Takashi","Synergistic Catalysis of Ionic Brønsted Acid and Photosensitizer for a Redox Neutral Asymmetric α-Coupling of N-Arylaminomethanes with Aldimines.","Journal of the American Chemical Society","2015","137","43","13768","13771","10.1021/jacs.5b09329","","","0.71075","MoKα","","0.0412","0.0323","","","0.0775","0.0966","","","","","","1.044","","","","has coordinates","240338","2020-10-21","18:00:00",""
"4129665","14.034","0.002","9.8516","0.0014","21.688","0.003","90","","90.641","0.003","90","","2998.3","0.7","115","2","115","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H58 Cl F6 N4 O4 P -","- C70 H58 Cl F6 N4 O4 P -","- C140 H116 Cl2 F12 N8 O8 P2 -","2","1","","Uraguchi, Daisuke; Kinoshita, Natsuko; Kizu, Tomohito; Ooi, Takashi","Synergistic Catalysis of Ionic Brønsted Acid and Photosensitizer for a Redox Neutral Asymmetric α-Coupling of N-Arylaminomethanes with Aldimines.","Journal of the American Chemical Society","2015","137","43","13768","13771","10.1021/jacs.5b09329","","","0.71075","MoKα","","0.0446","0.0405","","","0.0987","0.1051","","","","","","1.051","","","","has coordinates","240339","2020-10-21","18:00:00",""
"4129666","17.17","0.002","13.8418","0.0018","37.158","0.005","90","","102.787","0.002","90","","8612.1","1.9","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H93 Mn2 N11 O13 Os P2 -","- C91 H93 Mn2 N11 O13 Os P2 -","- C364 H372 Mn8 N44 O52 Os4 P8 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.028","0.0257","","","0.0643","0.0652","","","","","","1.116","","","","has coordinates","240340","2020-10-21","18:00:00",""
"4129667","23.839","0.003","20.368","0.002","19.348","0.002","90","","90","","90","","9394.5","1.8","110","2","110","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C114 H90 N9 O0.4 P6 Ru -","- C114 H90 N9 O0.4 P6 Ru -","- C456 H360 N36 O1.6 P24 Ru4 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.0695","0.0412","","","0.0827","0.0933","","","","","","1.011","","","","has coordinates","240341","2020-10-21","18:00:00",""
"4129668","17.19","0.007","13.844","0.006","37.287","0.015","90","","102.757","0.006","90","","8654","6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H93 Mn2 N11 O13 P2 Ru -","- C91 H93 Mn2 N11 O13 P2 Ru -","- C364 H372 Mn8 N44 O52 P8 Ru4 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.1266","0.0715","","","0.1506","0.1729","","","","","","1.042","","","","has coordinates","240342","2020-10-21","18:00:00",""
"4129669","17.047","0.004","13.851","0.003","37.202","0.008","90","","102.585","0.003","90","","8573","3","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H94 Co Mn2 N11 O13 P2 -","- C91 H94 Co Mn2 N11 O13 P2 -","- C364 H376 Co4 Mn8 N44 O52 P8 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.059","0.0416","","","0.0933","0.1017","","","","","","1.029","","","","has coordinates","240343","2020-10-21","18:00:00",""
"4129670","17.346","0.004","13.979","0.003","37.662","0.009","90","","103.254","0.003","90","","8889","4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H94 Mn2 N11 O13 Os P2 -","- C91 H94 Mn2 N11 O13 Os P2 -","- C364 H376 Mn8 N44 O52 Os4 P8 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.0611","0.0365","","","0.0687","0.0758","","","","","","1.02","","","","has coordinates","240344","2020-10-21","18:00:00",""
"4129671","23.807","0.006","20.467","0.005","19.353","0.005","90","","90","","90","","9430","4","110","2","110","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C114 H90 N9 O Os P6 -","- C114 H90 N9 O Os P6 -","- C456 H360 N36 O4 Os4 P24 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.0463","0.0296","","","0.06","0.0693","","","","","","1.037","","","","has coordinates","240345","2020-10-21","18:00:00",""
"4129672","17.062","0.001","13.837","0.001","37.104","0.002","90","","102.588","0.001","90","","8549.2","0.9","110","2","110","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C91 H94 Co0.92 Mn2 N11 O13 Os0.08 P2 -","- C91 H94 Co0.92 Mn2 N11 O13 Os0.08 P2 -","- C364 H376 Co3.68 Mn8 N44 O52 Os0.32 P8 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.0455","0.0347","","","0.0786","0.0837","","","","","","1.021","","","","has coordinates","240346","2020-10-21","18:00:00",""
"4129673","17.237","0.012","13.99","0.009","37.687","0.026","90","","102.97","0.011","90","","8856","10","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H64 Fe Mn2 N11 O13 P2 -","- C91 H64 Fe Mn2 N11 O13 P2 -","- C364 H256 Fe4 Mn8 N44 O52 P8 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.127","0.0631","","","0.1273","0.1549","","","","","","1.002","","","","has coordinates","240347","2020-10-21","18:00:00",""
"4129674","17.033","0.002","13.8193","0.0018","37.129","0.005","90","","102.65","0.002","90","","8527.4","1.9","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H94 Fe Mn2 N11 O13 P2 -","- C91 H94 Fe Mn2 N11 O13 P2 -","- C364 H376 Fe4 Mn8 N44 O52 P8 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.0413","0.0356","","","0.0904","0.0942","","","","","","1.043","","","","has coordinates","240348","2020-10-21","18:00:00",""
"4129675","16.315","0.005","16.49","0.005","16.955","0.005","84.754","0.005","63.032","0.005","87.154","0.005","4048","2","110","1","110","1","","","","","","","","6","P -1","-P 1","2","","","","- C78 H66 Co Mn3 N12 O18 -","- C78 H66 Co Mn3 N12 O18 -","- C156 H132 Co2 Mn6 N24 O36 -","2","1","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.0655","0.0541","","","0.1231","0.1294","","","","","","1.069","","","","has coordinates","240349","2020-10-21","18:00:00",""
"4129676","8.4586","0.0017","9.804","0.002","20.952","0.004","90","","97.53","0.03","90","","1722.5","0.6","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 -","- C22 H22 N2 -","- C88 H88 N8 -","4","1","","Deibl, Nicklas; Ament, Kevin; Kempe, Rhett","A Sustainable Multicomponent Pyrimidine Synthesis.","Journal of the American Chemical Society","2015","137","40","12804","12807","10.1021/jacs.5b09510","","","0.71073","MoKα","","0.0575","0.0335","","","0.0772","0.0811","","","","","","0.846","","","","has coordinates","240350","2020-10-21","18:00:00",""
"4129677","9.034","0.0004","11.0213","0.0006","11.9901","0.0007","106.481","0.002","91.063","0.002","101.589","0.002","1117.79","0.1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H64 Li2 N6 O4 -","- C46 H64 Li2 N6 O4 -","- C46 H64 Li2 N6 O4 -","1","0.5","","Jin, Kyoung Joo; Collum, David B.","Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.","Journal of the American Chemical Society","2015","137","45","14446","14455","10.1021/jacs.5b09524","","","0.71073","MoKα","","0.0522","0.0401","","","0.1036","0.1112","","","","","","1.065","","","","has coordinates","240351","2020-10-21","18:00:00",""
"4129678","12.3105","0.0006","16.9749","0.0009","25.2304","0.0013","90","","103.885","0.003","90","","5118.3","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C102 H96 Li6 N6 O12 -","- C102 H96 Li6 N6 O12 -","- C204 H192 Li12 N12 O24 -","2","0.5","","Jin, Kyoung Joo; Collum, David B.","Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.","Journal of the American Chemical Society","2015","137","45","14446","14455","10.1021/jacs.5b09524","","","0.71073","MoKα","","0.0675","0.0505","","","0.1391","0.1486","","","","","","1.068","","","","has coordinates,has disorder","240352","2020-10-21","18:00:00",""
"4129679","14.4697","0.0007","19.4187","0.0008","16.725","0.0008","90","","101.333","0.002","90","","4607.8","0.4","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H120 Li6 N6 O12 -","- C78 H120 Li6 N6 O12 -","- C156 H240 Li12 N12 O24 -","2","1","","Jin, Kyoung Joo; Collum, David B.","Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.","Journal of the American Chemical Society","2015","137","45","14446","14455","10.1021/jacs.5b09524","","","0.71073","MoKα","","0.0788","0.0679","","","0.1796","0.1879","","","","","","1.081","","","","has coordinates","240353","2020-10-21","18:00:00",""
"4129680","24.9263","0.0016","12.4099","0.0007","22.988","0.0014","90","","95.483","0.003","90","","7078.4","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H64 Li4 N4 O8 -","- C68 H64 Li4 N4 O8 -","- C272 H256 Li16 N16 O32 -","4","0.5","","Jin, Kyoung Joo; Collum, David B.","Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.","Journal of the American Chemical Society","2015","137","45","14446","14455","10.1021/jacs.5b09524","","","0.71073","MoKα","","0.0725","0.0475","","","0.1293","0.1404","","","","","","1.018","","","","has coordinates","240354","2020-10-21","18:00:00",""
"4129681","9.2312","0.0005","10.1683","0.0007","10.2843","0.0007","88.233","0.003","85.265","0.003","79.988","0.003","947.26","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Li2 N2 O6 -","- C42 H48 Li2 N2 O6 -","- C42 H48 Li2 N2 O6 -","1","0.5","","Jin, Kyoung Joo; Collum, David B.","Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.","Journal of the American Chemical Society","2015","137","45","14446","14455","10.1021/jacs.5b09524","","","0.71073","MoKα","","0.0434","0.0373","","","0.0999","0.105","","","","","","1.047","","","","has coordinates,has disorder","240355","2020-10-21","18:00:00",""
"4129682","10.532","0.003","8.758","0.003","26.851","0.009","90","","97.382","0.012","90","","2456.2","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Li N3 O2 -","- C25 H36 Li N3 O2 -","- C100 H144 Li4 N12 O8 -","4","1","","Jin, Kyoung Joo; Collum, David B.","Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.","Journal of the American Chemical Society","2015","137","45","14446","14455","10.1021/jacs.5b09524","","","0.71073","MoKα","","0.0601","0.0419","","","0.1022","0.1127","","","","","","1.026","","","","has coordinates,has disorder","240356","2020-10-21","18:00:00",""
"4129683","4.0401","0.0006","23.361","0.004","20.748","0.003","90","","95.071","0.008","90","","1950.5","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 B Br2 Te -","- C22 H15 B Br2 Te -","- C88 H60 B4 Br8 Te4 -","4","1","","Tsao, Fu An; Cao, Levy; Grimme, Stefan; Stephan, Douglas W.","Double FLP-Alkyne Exchange Reactions: A Facile Route to Te/B Heterocycles.","Journal of the American Chemical Society","2015","137","41","13264","13267","10.1021/jacs.5b09526","","","0.71073","MoKα","","0.1055","0.0514","","","0.075","0.0882","","","","","","1.023","","","","has coordinates","240357","2020-10-21","18:00:00",""
"4129684","9.695","0.002","10.677","0.002","16.034","0.003","107.424","0.01","91.189","0.01","96.81","0.01","1569.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H38 B Te -","- C37 H38 B Te -","- C74 H76 B2 Te2 -","2","1","","Tsao, Fu An; Cao, Levy; Grimme, Stefan; Stephan, Douglas W.","Double FLP-Alkyne Exchange Reactions: A Facile Route to Te/B Heterocycles.","Journal of the American Chemical Society","2015","137","41","13264","13267","10.1021/jacs.5b09526","","","0.71073","MoKα","","0.0263","0.0221","","","0.0498","0.0519","","","","","","1.049","","","","has coordinates","240358","2020-10-21","18:00:00",""
"4129685","8.582","0.003","15.89","0.006","28.65","0.01","90","","90","","90","","3907","2","147","2","147","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H42 Al N3 O4 -","- C40 H42 Al N3 O4 -","- C160 H168 Al4 N12 O16 -","4","1","","Seo, Min-Seob; Kim, Hyunwoo","(1)H NMR chiral analysis of charged molecules via ion pairing with aluminum complexes.","Journal of the American Chemical Society","2015","137","44","14190","14195","10.1021/jacs.5b09555","","","0.71073","MoKα","","0.0454","0.0412","","","0.1058","0.1086","","","","","","1.026","","","","has coordinates","240359","2020-10-21","18:00:00",""
"4129686","13.3617","0.001","13.3617","0.001","16.3676","0.0012","90","","90","","90","","2922.2","0.4","147","2","147","2","","","","","","","","5","P 41","P 4w","76","","","","- C34 H33 N3 O4 Ti -","- C34 H33 N3 O4 Ti -","- C136 H132 N12 O16 Ti4 -","4","1","","Seo, Min-Seob; Kim, Hyunwoo","(1)H NMR chiral analysis of charged molecules via ion pairing with aluminum complexes.","Journal of the American Chemical Society","2015","137","44","14190","14195","10.1021/jacs.5b09555","","","0.71073","MoKα","","0.0356","0.0313","","","0.0732","0.0751","","","","","","1.03","","","","has coordinates","240360","2020-10-21","18:00:00",""
"4129687","9.4941","0.0013","21.473","0.003","17.33","0.002","90","","102.524","0.003","90","","3448.9","0.8","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H53 Fe N3 -","- C38 H53 Fe N3 -","- C152 H212 Fe4 N12 -","4","1","","Wang, Lei; Hu, Lianrui; Zhang, Hezhong; Chen, Hui; Deng, Liang","Three-coordinate iron(IV) bisimido complexes with aminocarbene ligation: synthesis, structure, and reactivity.","Journal of the American Chemical Society","2015","137","44","14196","14207","10.1021/jacs.5b09579","","","0.71073","MoKα","","0.1203","0.0567","","","0.1179","0.1416","","","","","","1.007","","","","has coordinates","240361","2020-10-21","18:00:00",""
"4129688","15.9259","0.0009","25.8507","0.0014","18.8349","0.001","90","","113.493","0.001","90","","7111.5","0.7","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H61 Fe N3 -","- C40 H61 Fe N3 -","- C320 H488 Fe8 N24 -","8","2","","Wang, Lei; Hu, Lianrui; Zhang, Hezhong; Chen, Hui; Deng, Liang","Three-coordinate iron(IV) bisimido complexes with aminocarbene ligation: synthesis, structure, and reactivity.","Journal of the American Chemical Society","2015","137","44","14196","14207","10.1021/jacs.5b09579","","","0.71073","MoKα","","0.1059","0.0585","","","0.1356","0.1585","","","","","","1.014","","","","has coordinates,has disorder","240361","2020-10-21","18:00:00",""
"4129689","10.8742","0.0008","30.161","0.002","11.4324","0.0008","90","","108.326","0.001","90","","3559.4","0.4","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H57 Fe N3 -","- C40 H57 Fe N3 -","- C160 H228 Fe4 N12 -","4","1","","Wang, Lei; Hu, Lianrui; Zhang, Hezhong; Chen, Hui; Deng, Liang","Three-coordinate iron(IV) bisimido complexes with aminocarbene ligation: synthesis, structure, and reactivity.","Journal of the American Chemical Society","2015","137","44","14196","14207","10.1021/jacs.5b09579","","","0.71073","MoKα","","0.075","0.0468","","","0.1031","0.1141","","","","","","1.019","","","","has coordinates,has disorder","240361","2020-10-21","18:00:00",""
"4129690","11.046","0.004","13.437","0.005","15.899","0.006","67.416","0.006","73.222","0.006","66.689","0.005","1974.8","1.3","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H58 Fe N4 -","- C45 H58 Fe N4 -","- C90 H116 Fe2 N8 -","2","1","","Wang, Lei; Hu, Lianrui; Zhang, Hezhong; Chen, Hui; Deng, Liang","Three-coordinate iron(IV) bisimido complexes with aminocarbene ligation: synthesis, structure, and reactivity.","Journal of the American Chemical Society","2015","137","44","14196","14207","10.1021/jacs.5b09579","","","0.71073","MoKα","","0.1438","0.0869","","","0.2309","0.2674","","","","","","1.051","","","","has coordinates","240361","2020-10-21","18:00:00",""
"4129691","11.3109","0.0011","23.88","0.002","17.4294","0.0017","90","","98.003","0.002","90","","4661.9","0.8","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H66 Fe N4 Si -","- C51 H66 Fe N4 Si -","- C204 H264 Fe4 N16 Si4 -","4","1","","Wang, Lei; Hu, Lianrui; Zhang, Hezhong; Chen, Hui; Deng, Liang","Three-coordinate iron(IV) bisimido complexes with aminocarbene ligation: synthesis, structure, and reactivity.","Journal of the American Chemical Society","2015","137","44","14196","14207","10.1021/jacs.5b09579","","","0.71073","MoKα","","0.0754","0.0435","","","0.0947","0.1084","","","","","","0.998","","","","has coordinates","240361","2020-10-21","18:00:00",""
"4129692","20.253","0.002","14.3344","0.0013","19.813","0.0019","90","","93.32","0.002","90","","5742.3","0.9","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H68 Fe N6 -","- C58 H68 Fe N6 -","- C232 H272 Fe4 N24 -","4","1","","Wang, Lei; Hu, Lianrui; Zhang, Hezhong; Chen, Hui; Deng, Liang","Three-coordinate iron(IV) bisimido complexes with aminocarbene ligation: synthesis, structure, and reactivity.","Journal of the American Chemical Society","2015","137","44","14196","14207","10.1021/jacs.5b09579","","","0.71073","MoKα","","0.1101","0.0597","","","0.1724","0.1902","","","","","","0.939","","","","has coordinates","240361","2020-10-21","18:00:00",""
"4129693","8.4808","0.0006","24.6772","0.0017","10.9388","0.0007","90","","97.166","0.004","90","","2271.4","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 N2 O2 -","- C26 H32 N2 O2 -","- C104 H128 N8 O8 -","4","2","","Goodman, C. Guy; Johnson, Jeffrey S.","Asymmetric Synthesis of β-Amino Amides by Catalytic Enantioconvergent 2-Aza-Cope Rearrangement.","Journal of the American Chemical Society","2015","137","46","14574","14577","10.1021/jacs.5b09593","","","1.54178","CuKα","","0.06","0.053","","","0.1429","0.148","","","","","","1.045","","","","has coordinates","240362","2020-10-21","18:00:00",""
"4129694","16.1261","0.0015","17.853","0.0016","18.2352","0.0016","64.955","0.001","64.749","0.002","80.851","0.002","4300.3","0.7","258","2","258","2","","","","","","","","5","P -1","-P 1","2","","","","- C158 H178 Au24 Cd S18 -","- C158 H178 Au24.0004 Cd0.9996 S18 -","- C158 H178 Au24.0004 Cd0.9996 S18 -","1","0.5","","Yao, Chuanhao; Lin, Yue-jian; Yuan, Jinyun; Liao, Lingwen; Zhu, Min; Weng, Lin-hong; Yang, Jinlong; Wu, Zhikun","Mono-cadmium vs Mono-mercury Doping of Au25 Nanoclusters.","Journal of the American Chemical Society","2015","137","49","15350","15353","10.1021/jacs.5b09627","","","0.71073","MoKα","","0.107","0.0643","","","0.1712","0.2521","","","","","","1.032","","","","has coordinates,has disorder","240363","2020-10-21","18:00:00",""
"4129695","15.9937","0.0013","17.7756","0.0014","18.0174","0.0014","64.973","0.001","65.309","0.001","81.159","0.001","4215.4","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C158 H178 Au24 Cd S18 -","- C158 H178 Au24.0004 Cd0.9996 S18 -","- C158 H178 Au24.0004 Cd0.9996 S18 -","1","0.5","","Yao, Chuanhao; Lin, Yue-jian; Yuan, Jinyun; Liao, Lingwen; Zhu, Min; Weng, Lin-hong; Yang, Jinlong; Wu, Zhikun","Mono-cadmium vs Mono-mercury Doping of Au25 Nanoclusters.","Journal of the American Chemical Society","2015","137","49","15350","15353","10.1021/jacs.5b09627","","","0.71073","MoKα","","0.0837","0.0565","","","0.1614","0.2309","","","","","","1.076","","","","has coordinates,has disorder","240364","2020-10-21","18:00:00",""
"4129696","27.989","0.003","27.989","0.003","8.8181","0.0018","90","","90","","120","","5982.5","1.5","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H22 Fe N12 O4 -","- C22 H22 Fe N12 O4 -","- C198 H198 Fe9 N108 O36 -","9","0.5","","Ma, Yunsheng; Matsuda, Ryotaro; Sato, Hiroshi; Hijikata, Yuh; Li, Liangchun; Kusaka, Shinpei; Foo, Mawlin; Xue, Fengfeng; Akiyama, George; Yuan, Rongxin; Kitagawa, Susumu","A Convenient Strategy for Designing a Soft Nanospace: An Atomic Exchange in a Ligand with Isostructural Frameworks.","Journal of the American Chemical Society","2015","137","50","15825","15832","10.1021/jacs.5b09666","","","0.71073","MoKα","","0.0741","0.0589","","","0.1608","0.1721","","","","","","1.042","","","","has coordinates","240365","2020-10-21","18:00:00",""
"4129697","27.897","0.004","27.897","0.004","8.6691","0.0017","90","","90","","120","","5842.8","1.6","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C22 H14 Fe N12 -","- C22 H14 Fe N12 -","- C198 H126 Fe9 N108 -","9","0.5","","Ma, Yunsheng; Matsuda, Ryotaro; Sato, Hiroshi; Hijikata, Yuh; Li, Liangchun; Kusaka, Shinpei; Foo, Mawlin; Xue, Fengfeng; Akiyama, George; Yuan, Rongxin; Kitagawa, Susumu","A Convenient Strategy for Designing a Soft Nanospace: An Atomic Exchange in a Ligand with Isostructural Frameworks.","Journal of the American Chemical Society","2015","137","50","15825","15832","10.1021/jacs.5b09666","","","0.71073","MoKα","","0.0397","0.0376","","","0.1052","0.1073","","","","","","1.092","","","","has coordinates","240366","2020-10-21","18:00:00",""
"4129698","28.873","0.004","28.873","0.004","9.3425","0.0019","90","","90","","120","","6744.9","1.9","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H22 Fe N12 -","- C30 H22 Fe N12 -","- C270 H198 Fe9 N108 -","9","0.5","","Ma, Yunsheng; Matsuda, Ryotaro; Sato, Hiroshi; Hijikata, Yuh; Li, Liangchun; Kusaka, Shinpei; Foo, Mawlin; Xue, Fengfeng; Akiyama, George; Yuan, Rongxin; Kitagawa, Susumu","A Convenient Strategy for Designing a Soft Nanospace: An Atomic Exchange in a Ligand with Isostructural Frameworks.","Journal of the American Chemical Society","2015","137","50","15825","15832","10.1021/jacs.5b09666","","","0.71073","MoKα","","0.1008","0.0867","","","0.2315","0.2463","","","","","","1.111","","","","has coordinates","240367","2020-10-21","18:00:00",""
"4129699","28.622","0.004","28.622","0.004","9.2243","0.0018","90","","90","","120","","6544.3","1.8","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H14 Fe N12 O10 -","- C27 H14 Fe N12 O10 -","- C243 H126 Fe9 N108 O90 -","9","0.5","","Ma, Yunsheng; Matsuda, Ryotaro; Sato, Hiroshi; Hijikata, Yuh; Li, Liangchun; Kusaka, Shinpei; Foo, Mawlin; Xue, Fengfeng; Akiyama, George; Yuan, Rongxin; Kitagawa, Susumu","A Convenient Strategy for Designing a Soft Nanospace: An Atomic Exchange in a Ligand with Isostructural Frameworks.","Journal of the American Chemical Society","2015","137","50","15825","15832","10.1021/jacs.5b09666","","","0.71073","MoKα","","0.0901","0.0811","","","0.2191","0.2297","","","","","","1.057","","","","has coordinates","240368","2020-10-21","18:00:00",""
"4129700","6.3463","0.0004","14.4931","0.0009","16.2263","0.0009","90","","90","","90","","1492.46","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DCM1","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","","Miller, David C.; Choi, Gilbert J.; Orbe, Hudson S.; Knowles, Robert R.","Catalytic Olefin Hydroamidation Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2015","137","42","13492","13495","10.1021/jacs.5b09671","","","1.54178","CuKα","","0.0282","0.027","","","0.0712","0.0719","","","","","","1.086","","","","has coordinates","240370","2020-10-21","18:00:00",""
"4129701","8.6338","0.0006","40.258","0.004","9.8293","0.0006","90","","90","","90","","3416.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H53 N O3 Si2 -","- C32 H53 N O3 Si2 -","- C128 H212 N4 O12 Si8 -","4","1","","Liu, Zengjin; Lin, Xinglong; Yang, Na; Su, Zhishan; Hu, Changwei; Xiao, Peihong; He, Yanyang; Song, Zhenlei","Unique Steric Effect of Geminal Bis(silane) To Control the High Exo-selectivity in Intermolecular Diels-Alder Reaction.","Journal of the American Chemical Society","2016","138","6","1877","1883","10.1021/jacs.5b09689","","","0.7107","MoKα","","0.1475","0.0744","","","0.1691","0.2154","","","","","","0.917","","","","has coordinates","240371","2020-10-21","18:00:00",""
"4129702","16.5236","0.0009","14.1625","0.0006","17.3391","0.0011","90","","113.66","0.007","90","","3716.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H52 N2 O7 Si2 -","- C35 H52 N2 O7 Si2 -","- C140 H208 N8 O28 Si8 -","4","1","","Liu, Zengjin; Lin, Xinglong; Yang, Na; Su, Zhishan; Hu, Changwei; Xiao, Peihong; He, Yanyang; Song, Zhenlei","Unique Steric Effect of Geminal Bis(silane) To Control the High Exo-selectivity in Intermolecular Diels-Alder Reaction.","Journal of the American Chemical Society","2016","138","6","1877","1883","10.1021/jacs.5b09689","","","0.71073","MoKα","","0.1158","0.0677","","","0.1512","0.185","","","","","","1.038","","","","has coordinates,has disorder","240372","2020-10-21","18:00:00",""
"4129703","8.0634","0.0007","12.7239","0.0012","22.679","0.002","90","","90","","90","","2326.8","0.4","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 B N3 O S -","- C26 H26 B N3 O S -","- C104 H104 B4 N12 O4 S4 -","4","1","","Nishikawa, Daiki; Hirano, Koji; Miura, Masahiro","Asymmetric Synthesis of α-Aminoboronic Acid Derivatives by Copper-Catalyzed Enantioselective Hydroamination.","Journal of the American Chemical Society","2015","137","50","15620","15623","10.1021/jacs.5b09773","","","0.71075","MoKα","","","0.0561","","","","0.1103","","","","","","1.085","","","","has coordinates","240373","2020-10-21","18:00:00",""
"4129704","19.21","0.002","7.084","0.0006","30.223","0.003","90","","98.459","0.006","90","","4068.1","0.7","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N O3 S -","- C22 H29 N O3 S -","- C176 H232 N8 O24 S8 -","8","2","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","0.71073","MoKα","","0.144","0.089","","","0.1995","0.2179","","","","","","1.359","","","","has coordinates","240374","2020-10-21","18:00:00",""
"4129705","15.8192","0.0002","12.8096","0.0002","8.826","0.0001","90","","90","","90","","1788.48","0.04","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H25 N O3 S -","- C19 H25 N O3 S -","- C76 H100 N4 O12 S4 -","4","1","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","1.54184","CuKα","","0.024","0.0237","","","0.0632","0.0634","","","","","","1.07","","","","has coordinates","240375","2020-10-21","18:00:00",""
"4129706","12.8249","0.0005","13.1568","0.0006","14.1193","0.0007","85.712","0.002","75.187","0.003","61.523","0.002","2021.45","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 N O3 S -","- C22 H29 N O3 S -","- C88 H116 N4 O12 S4 -","4","2","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","1.54184","CuKα","","0.0438","0.0403","","","0.1084","0.1103","","","","","","1.036","","","","has coordinates","240376","2020-10-21","18:00:00",""
"4129707","6.61","0.005","15.133","0.014","19.221","0.017","70.813","0.013","89.806","0.011","89.28","0.011","1816","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H25 N O3 S -","- C19 H25 N O3 S -","- C76 H100 N4 O12 S4 -","4","2","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","0.71073","MoKα","","0.1315","0.0654","","","0.1543","0.2064","","","","","","1.039","","","","has coordinates","240377","2020-10-21","18:00:00",""
"4129708","10.935","0.002","11.745","0.002","13.03","0.002","90","","90","","90","","1673.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O3 S -","- C18 H23 N O3 S -","- C72 H92 N4 O12 S4 -","4","1","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","0.71073","MoKα","","0.0404","0.0344","","","0.0818","0.0847","","","","","","1.02","","","","has coordinates","240378","2020-10-21","18:00:00",""
"4129709","10.9297","0.0002","11.738","0.0002","13.0327","0.0003","90","","90","","90","","1672","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O3 S -","- C18 H23 N O3 S -","- C72 H92 N4 O12 S4 -","4","1","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","1.54184","CuKα","","0.0304","0.0303","","","0.0821","0.0824","","","","","","1.05","","","","has coordinates","240379","2020-10-21","18:00:00",""
"4129710","20.438","0.008","8.21","0.003","11.471","0.005","90","","98.574","0.006","90","","1903.3","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N O3 S -","- C20 H27 N O3 S -","- C80 H108 N4 O12 S4 -","4","1","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","0.71073","MoKα","","0.0886","0.0667","","","0.1763","0.1935","","","","","","1.1","","","","has coordinates","240380","2020-10-21","18:00:00",""
"4129711","9.0649","0.001","9.4336","0.001","17.0247","0.0018","102.421","0.002","90.281","0.002","97.364","0.002","1409.3","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H31 F6 Ir N Sb -","- C29 H31 F6 Ir N Sb -","- C58 H62 F12 Ir2 N2 Sb2 -","2","1","","Kim, Jiyu; Park, Sung-Woo; Baik, Mu-Hyun; Chang, Sukbok","Complete Switch of Selectivity in the C-H Alkenylation and Hydroarylation Catalyzed by Iridium: The Role of Directing Groups.","Journal of the American Chemical Society","2015","137","42","13448","13451","10.1021/jacs.5b09824","","","0.71073","MoKα","","0.0716","0.0416","","","0.0932","0.1711","","","","","","1.32","","","","has coordinates","240381","2020-10-21","18:00:00",""
"4129712","6.7673","0.001","13.803","0.002","12.1929","0.0018","90","","97.214","0.002","90","","1129.9","0.3","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O4 -","- C14 H12 O4 -","- C56 H48 O16 -","4","1","","Kim, Jiyu; Park, Sung-Woo; Baik, Mu-Hyun; Chang, Sukbok","Complete Switch of Selectivity in the C-H Alkenylation and Hydroarylation Catalyzed by Iridium: The Role of Directing Groups.","Journal of the American Chemical Society","2015","137","42","13448","13451","10.1021/jacs.5b09824","","","0.71073","MoKα","","0.0418","0.038","","","0.114","0.1187","","","","","","1.063","","","","has coordinates","240382","2020-10-21","18:00:00",""
"4129713","23.079","0.0013","12.1433","0.0007","17.7765","0.001","90","","107.418","0.001","90","","4753.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H78 P2 Th -","- C50 H78 P2 Th -","- C200 H312 P8 Th4 -","4","1","","Behrle, Andrew C.; Castro, Ludovic; Maron, Laurent; Walensky, Justin R.","Formation of a Bridging Phosphinidene Thorium Complex.","Journal of the American Chemical Society","2015","137","47","14846","14849","10.1021/jacs.5b09826","","","0.71073","MoKα","","0.0287","0.0198","","","0.044","0.048","","","","","","1.031","","","","has coordinates,has disorder","240383","2020-10-21","18:00:00",""
"4129714","11.0279","0.0016","18.2","0.003","25.124","0.004","90","","94.3","0.002","90","","5028.4","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H81 P Th2 -","- C55 H81 P Th2 -","- C220 H324 P4 Th8 -","4","1","","Behrle, Andrew C.; Castro, Ludovic; Maron, Laurent; Walensky, Justin R.","Formation of a Bridging Phosphinidene Thorium Complex.","Journal of the American Chemical Society","2015","137","47","14846","14849","10.1021/jacs.5b09826","","","0.71073","MoKα","","0.028","0.0207","","","0.0431","0.0503","","","","","","1.059","","","","has coordinates","240383","2020-10-21","18:00:00",""
"4129715","9.489","0.002","10.143","0.002","18.579","0.004","82.039","0.002","77.46","0.002","67.375","0.002","1608.2","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H48 O2 Th -","- C36 H48 O2 Th -","- C72 H96 O4 Th2 -","2","1","","Behrle, Andrew C.; Castro, Ludovic; Maron, Laurent; Walensky, Justin R.","Formation of a Bridging Phosphinidene Thorium Complex.","Journal of the American Chemical Society","2015","137","47","14846","14849","10.1021/jacs.5b09826","","","0.71073","MoKα","","0.0242","0.0204","","","0.0422","0.0441","","","","","","1.031","","","","has coordinates","240383","2020-10-21","18:00:00",""
"4129716","13.0171","0.0007","13.0171","0.0007","29.7312","0.0016","90","","90","","120","","4362.9","0.4","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C86 H137 Co2 K2 N12 O19.44 -","- C85.632 H136.26 Co2 K2 N11.98 O19.316 -","- C171.264 H272.52 Co4 K4 N23.96 O38.632 -","2","0.333333","","Stauber, Julia M.; Bloch, Eric D.; Vogiatzis, Konstantinos D.; Zheng, Shao-Liang; Hadt, Ryan G.; Hayes, Dugan; Chen, Lin X.; Gagliardi, Laura; Nocera, Daniel G.; Cummins, Christopher C.","Pushing Single-Oxygen-Atom-Bridged Bimetallic Systems to the Right: A Cryptand-Encapsulated Co-O-Co Unit.","Journal of the American Chemical Society","2015","137","49","15354","15357","10.1021/jacs.5b09827","","","0.71073","MoKα","","0.1359","0.0994","","","0.2298","0.2539","","","","","","1.066","","","","has coordinates,has disorder","240384","2020-10-21","18:00:00",""
"4129717","13.9661","0.0009","19.9492","0.0013","24.6841","0.0016","90","","93.299","0.001","90","","6865.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H93 Co2 K2 N12 O10.5 -","- C62 H93 Co2 K2 N12 O10.5 -","- C248 H372 Co8 K8 N48 O42 -","4","1","","Stauber, Julia M.; Bloch, Eric D.; Vogiatzis, Konstantinos D.; Zheng, Shao-Liang; Hadt, Ryan G.; Hayes, Dugan; Chen, Lin X.; Gagliardi, Laura; Nocera, Daniel G.; Cummins, Christopher C.","Pushing Single-Oxygen-Atom-Bridged Bimetallic Systems to the Right: A Cryptand-Encapsulated Co-O-Co Unit.","Journal of the American Chemical Society","2015","137","49","15354","15357","10.1021/jacs.5b09827","","","0.71073","MoKα","","0.0577","0.0406","","","0.0914","0.099","","","","","","1.018","","","","has coordinates,has disorder","240385","2020-10-21","18:00:00",""
"4129718","7.2292","0.0006","8.3533","0.0007","11.9019","0.001","91.933","0.001","102.853","0.001","91.483","0.001","699.91","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 F12 N4 O6 -","- C26 H24 F12 N4 O6 -","- C26 H24 F12 N4 O6 -","1","0.5","","Furuyama, Taniyuki; Sato, Takehito; Kobayashi, Nagao","A Bottom-up Synthesis of Antiaromatic Expanded Phthalocyanines: Pentabenzotriazasmaragdyrins, i.e. Norcorroles of Superphthalocyanines.","Journal of the American Chemical Society","2015","137","43","13788","13791","10.1021/jacs.5b09853","","","0.71073","MoKα","","0.0309","0.0289","","","0.0789","0.0818","","","","","","1.091","","","","has coordinates","240386","2020-10-21","18:00:00",""
"4129719","11.109","0.002","19.269","0.004","22.218","0.004","67.443","0.002","75.68","0.002","79.371","0.003","4234.3","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H69 F24 N11 O10 -","- C91 H69 F24 N11 O10 -","- C182 H138 F48 N22 O20 -","2","1","","Furuyama, Taniyuki; Sato, Takehito; Kobayashi, Nagao","A Bottom-up Synthesis of Antiaromatic Expanded Phthalocyanines: Pentabenzotriazasmaragdyrins, i.e. Norcorroles of Superphthalocyanines.","Journal of the American Chemical Society","2015","137","43","13788","13791","10.1021/jacs.5b09853","","","0.71073","MoKα","","0.1312","0.0706","","","0.1625","0.1861","","","","","","1.035","","","","has coordinates,has disorder","240387","2020-10-21","18:00:00",""
"4129720","12.875","0.004","10.538","0.003","21.741","0.007","90","","93.329","0.006","90","","2944.8","1.6","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H34 Cl2 Fe N5 O10 -","- C19 H34 Cl2 Fe N5 O10 -","- C76 H136 Cl8 Fe4 N20 O40 -","4","1","","Serrano-Plana, Joan; Oloo, Williamson N.; Acosta-Rueda, Laura; Meier, Katlyn K.; Verdejo, Begoña; García-España, Enrique; Basallote, Manuel G.; Münck, Eckard; Que, Jr, Lawrence; Company, Anna; Costas, Miquel","Trapping a Highly Reactive Nonheme Iron Intermediate That Oxygenates Strong C-H Bonds with Stereoretention.","Journal of the American Chemical Society","2015","137","50","15833","15842","10.1021/jacs.5b09904","","","0.71073","MoKα","","0.21","0.1179","","","0.3203","0.3844","","","","","","1.026","","","","has coordinates,has disorder","240388","2020-10-21","18:00:00",""
"4129721","9.349","0.005","9.148","0.005","16.448","0.006","90","","123.32","0.02","90","","1175.5","1","120","2","120","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C16 H24 F6 Fe N4 O6 S2 -","- C16 H24 F6 Fe N4 O6 S2 -","- C32 H48 F12 Fe2 N8 O12 S4 -","2","1","","Serrano-Plana, Joan; Oloo, Williamson N.; Acosta-Rueda, Laura; Meier, Katlyn K.; Verdejo, Begoña; García-España, Enrique; Basallote, Manuel G.; Münck, Eckard; Que, Jr, Lawrence; Company, Anna; Costas, Miquel","Trapping a Highly Reactive Nonheme Iron Intermediate That Oxygenates Strong C-H Bonds with Stereoretention.","Journal of the American Chemical Society","2015","137","50","15833","15842","10.1021/jacs.5b09904","","","0.71069","MoKα","","0.0535","0.0412","","","0.0966","0.1182","","","","","","1.105","","","","has coordinates","240389","2020-10-21","18:00:00",""
"4129722","11.91397","0.00013","25.1896","0.0003","26.0022","0.0003","90","","90","","90","","7803.47","0.15","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H56 Br2 Cl2 N4 O2 Zn2 -","- C35 H56 Br2 Cl2 N4 O2 Zn2 -","- C280 H448 Br16 Cl16 N32 O16 Zn16 -","8","1","","Garden, Jennifer A.; Saini, Prabhjot K.; Williams, Charlotte K.","Greater than the Sum of Its Parts: A Heterodinuclear Polymerization Catalyst.","Journal of the American Chemical Society","2015","137","48","15078","15081","10.1021/jacs.5b09913","","","0.71073","MoKα","","0.0515","0.0315","","","0.0685","0.0733","","","","","","1.04","","","","has coordinates","240390","2020-10-21","18:00:00",""
"4129723","14.8197","0.0007","47.047","0.002","20.255","0.0009","90","","104.428","0.002","90","","13676.8","1.1","180","2","180","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C258 H169 B4 F40 N39 O24 S8 Zn4 -","- C256.88 H169 B4 F40.12 N38.44 O21.76 S6.88 Zn4 -","- C513.76 H338 B8 F80.24 N76.88 O43.52 S13.76 Zn8 -","2","0.5","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","1.54178","CuKα","","0.1266","0.102","","","0.267","0.2844","","","","","","1.051","","","","has coordinates,has disorder","240391","2020-10-21","18:00:00",""
"4129724","27.1632","0.0017","44.317","0.003","29.6106","0.0015","90","","91.101","0.002","90","","35638","4","180","2","180","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C258 H162 Co4 F48 N39 O28 P7 S2 -","- C257.3 H162 Co4 F25.65 N38.65 O26.6 P3.625 S1.3 -","- C1029.2 H648 Co16 F102.6 N154.6 O106.4 P14.5 S5.2 -","4","2","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","1.54178","CuKα","","0.1176","0.0935","","","0.2479","0.2714","","","","","","0.994","","","","has coordinates","240392","2020-10-21","18:00:00",""
"4129725","21.7632","0.0011","29.6794","0.0014","45.408","0.002","90","","98.851","0.001","90","","28981","2","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C276 H177 F48 Fe4 N33 O32 S16 -","- C271.164 H177 F32.25 Fe4 N30.25 O21 S10.75 -","- C1084.66 H708 F129 Fe16 N121 O84 S43 -","4","1","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","1.54178","CuKα","","0.1713","0.1398","","","0.3816","0.401","","","","","","1.574","","","","has coordinates,has disorder","240393","2020-10-21","18:00:00",""
"4129726","10.0543","0.0015","14.692","0.002","22.93","0.003","102.034","0.007","99.129","0.006","102.863","0.006","3154","0.8","184","2","184","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H76 F24 N20 O20 S8 Zn2 -","- C102 H72 F6 N17 O8 S2 Zn2 -","- C102 H72 F6 N17 O8 S2 Zn2 -","1","0.5","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","1.54178","CuKα","","0.1004","0.0896","","","0.2682","0.2842","","","","","","1.213","","","","has coordinates,has disorder","240394","2020-10-21","18:00:00",""
"4129727","66.845","0.004","66.845","0.004","36.369","0.003","90","","90","","120","","140734","17","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C270 H174 B F46 N33 O28 S14 Zn4 -","- C259.5 H174 B F14.5 N27.75 O7 S3.5 Zn4 -","- C4671 H3132 B18 F261 N499.5 O126 S63 Zn72 -","18","1","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","0.6889","synchrotron","","0.1758","0.1335","","","0.3482","0.3801","","","","","","1.221","","","","has coordinates,has disorder","240395","2020-10-21","18:00:00",""
"4129728","26.1104","0.0014","24.4159","0.0013","47.001","0.002","90","","100.271","0.001","90","","29483","3","180","2","180","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C307 H213 B Co4 F46 N35 O28 S14 -","- C307 H213 B Co4 F46 N35 O28 S14 -","- C1228 H852 B4 Co16 F184 N140 O112 S56 -","4","1","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","1.54178","CuKα","","0.1331","0.1112","","","0.2949","0.3136","","","","","","1.044","","","","has coordinates,has disorder","240396","2020-10-21","18:00:00",""
"4129729","10.267","0.0003","28.1379","0.0007","18.4589","0.0005","90","","101.357","0.001","90","","5228.2","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H88 As4 F24 N16 Zn2 -","- C108 H88 As4 F24 N16 Zn2 -","- C216 H176 As8 F48 N32 Zn4 -","2","0.5","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","1.54178","CuKα","","0.088","0.0577","","","0.1423","0.1592","","","","","","1.044","","","","has coordinates,has disorder","240397","2020-10-21","18:00:00",""
"4129730","10.2268","0.0009","28.417","0.003","18.6761","0.0017","90","","101.443","0.004","90","","5319.7","0.9","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H88 Co2 F24 N16 Sb4 -","- C108 H88 Co2 F24 N16 Sb4 -","- C216 H176 Co4 F48 N32 Sb8 -","2","0.5","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","1.54178","CuKα","","0.0735","0.0503","","","0.1214","0.1339","","","","","","1.03","","","","has coordinates,has disorder","240398","2020-10-21","18:00:00",""
"4129731","13.8775","0.0007","22.7066","0.0012","16.4233","0.0008","89.98","0.002","111.607","0.002","90.049","0.003","4811.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H50 Fe N2 O2 Si2 -","- C57 H50 Fe N2 O2 Si2 -","- C228 H200 Fe4 N8 O8 Si8 -","4","2","","Manna, Cesar M.; Kaur, Aman; Yablon, Lauren M.; Haeffner, Fredrik; Li, Bo; Byers, Jeffery A.","Stereoselective Catalysis Achieved through in Situ Desymmetrization of an Achiral Iron Catalyst Precursor.","Journal of the American Chemical Society","2015","137","45","14232","14235","10.1021/jacs.5b09966","","","1.54178","CuKα","","0.072","0.0647","","","0.1671","0.1722","","","","","","1.022","","","","has coordinates,has disorder","240399","2020-10-21","18:00:00",""
"4129732","7.9237","0.0015","19.437","0.004","25.491","0.005","90","","96.523","0.003","90","","3900.5","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl N3 O -","- C20 H26 Cl N3 O -","- C160 H208 Cl8 N24 O8 -","8","2","","Soto-Cerrato, Vanessa; Manuel-Manresa, Pilar; Hernando, Elsa; Calabuig-Fariñas, Silvia; Martínez-Romero, Alicia; Fernández-Dueñas, Víctor; Sahlholm, Kristoffer; Knöpfel, Thomas; García-Valverde, María; Rodilla, Ananda M.; Jantus-Lewintre, Eloisa; Farràs, Rosa; Ciruela, Francisco; Pérez-Tomás, Ricardo; Quesada, Roberto","Facilitated Anion Transport Induces Hyperpolarization of the Cell Membrane That Triggers Differentiation and Cell Death in Cancer Stem Cells.","Journal of the American Chemical Society","2015","137","50","15892","15898","10.1021/jacs.5b09970","","","0.71073","MoKα","","0.0878","0.0464","","","0.1012","0.108","","","","","","0.843","","","","has coordinates","240400","2020-10-21","18:00:00",""
"4129733","9.2574","0.0018","15.213","0.003","13.783","0.003","90","","98.929","0.003","90","","1917.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Cl N3 O -","- C22 H22 Cl N3 O -","- C88 H88 Cl4 N12 O4 -","4","1","","Soto-Cerrato, Vanessa; Manuel-Manresa, Pilar; Hernando, Elsa; Calabuig-Fariñas, Silvia; Martínez-Romero, Alicia; Fernández-Dueñas, Víctor; Sahlholm, Kristoffer; Knöpfel, Thomas; García-Valverde, María; Rodilla, Ananda M.; Jantus-Lewintre, Eloisa; Farràs, Rosa; Ciruela, Francisco; Pérez-Tomás, Ricardo; Quesada, Roberto","Facilitated Anion Transport Induces Hyperpolarization of the Cell Membrane That Triggers Differentiation and Cell Death in Cancer Stem Cells.","Journal of the American Chemical Society","2015","137","50","15892","15898","10.1021/jacs.5b09970","","","0.71073","MoKα","","0.0378","0.0331","","","0.0939","0.0956","","","","","","1.078","","","","has coordinates","240401","2020-10-21","18:00:00",""
"4129734","5.3549","0.0004","14.4147","0.0013","17.117","0.0016","90","","90","","90","","1321.2","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","compound4f","","- C14 H15 Br O2 -","- C14 H15 Br O2 -","- C56 H60 Br4 O8 -","4","1","","Chen, Ming; Hartwig, John F.","Iridium-Catalyzed Enantioselective Allylic Substitution of Enol Silanes from Vinylogous Esters and Amides.","Journal of the American Chemical Society","2015","137","43","13972","13979","10.1021/jacs.5b09980","","","0.71073","MoKα","","0.0326","0.029","","","0.0712","0.073","","","","","","1.042","","","","has coordinates","240402","2020-10-21","18:00:00",""
"4129735","10.8153","0.0002","15.1273","0.0003","16.7307","0.0003","85.503","0.001","89.664","0.001","74.894","0.001","2634.23","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H38 Ni O2 P2 Si -","- C24 H38 Ni O2 P2 Si -","- C96 H152 Ni4 O8 P8 Si4 -","4","2","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","Reactions of Phenylhydrosilanes with Pincer-Nickel Complexes: Evidence for New Si-O and Si-C Bond Formation Pathways.","Journal of the American Chemical Society","2015","137","48","15287","15298","10.1021/jacs.5b10066","","","1.54178","CuKα","","0.0273","0.0267","","","0.0748","0.0754","","","","","","0.997","","","","has coordinates","240403","2020-10-21","18:00:00",""
"4129736","11.832","0.0001","20.1684","0.0002","25.0196","0.0003","90","","90","","90","","5970.49","0.11","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H42 Ni O2 P2 Si -","- C30 H42 Ni O2 P2 Si -","- C240 H336 Ni8 O16 P16 Si8 -","8","1","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","Reactions of Phenylhydrosilanes with Pincer-Nickel Complexes: Evidence for New Si-O and Si-C Bond Formation Pathways.","Journal of the American Chemical Society","2015","137","48","15287","15298","10.1021/jacs.5b10066","","","1.54178","CuKα","","0.0305","0.0279","","","0.0768","0.079","","","","","","1.016","","","","has coordinates","240403","2020-10-21","18:00:00",""
"4129737","17.5124","0.0006","12.2425","0.0004","18.1131","0.0006","90","","114.634","0.002","90","","3529.9","0.2","100","","100","","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 Ni O4 P2 Si2 -","- C30 H52 Ni O4 P2 Si2 -","- C120 H208 Ni4 O16 P8 Si8 -","4","1","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","Reactions of Phenylhydrosilanes with Pincer-Nickel Complexes: Evidence for New Si-O and Si-C Bond Formation Pathways.","Journal of the American Chemical Society","2015","137","48","15287","15298","10.1021/jacs.5b10066","","","1.54178","CuKα","","0.0745","0.0646","","","0.1668","0.1743","","","","","","1.066","","","","has coordinates,has disorder","240403","2020-10-21","18:00:00",""
"4129738","14.986","0.0004","22.3994","0.0007","23.3004","0.0007","108.043","0.002","96.706","0.002","101.488","0.002","7152.9","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H103.5 Co N3 O0.25 P3 V -","- C78 H103.5 Co N3 O0.25 P3 V -","- C312 H414 Co4 N12 O P12 V4 -","4","2","","Pinter, Balazs; Smith, Kyle T.; Kamitani, Masahiro; Zolnhofer, Eva M.; Tran, Ba L.; Fortier, Skye; Pink, Maren; Wu, Gang; Manor, Brian C.; Meyer, Karsten; Baik, Mu-Hyun; Mindiola, Daniel J.","Cyclo-P₃ Complexes of Vanadium: Redox Properties and Origin of the ³¹P NMR Chemical Shift.","Journal of the American Chemical Society","2015","137","48","15247","15261","10.1021/jacs.5b10074","","","0.71073","MoKα","","0.0726","0.0439","","","0.1047","0.1202","","","","","","1.013","","","","has coordinates,has disorder","240404","2020-10-21","18:00:00",""
"4129739","16.056","0.002","26.236","0.004","19.263","0.003","90","","90.609","0.009","90","","8114","2","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H120 N6 O P3 V2 -","- C90 H120 N6 O P3 V2 -","- C360 H480 N24 O4 P12 V8 -","4","1","","Pinter, Balazs; Smith, Kyle T.; Kamitani, Masahiro; Zolnhofer, Eva M.; Tran, Ba L.; Fortier, Skye; Pink, Maren; Wu, Gang; Manor, Brian C.; Meyer, Karsten; Baik, Mu-Hyun; Mindiola, Daniel J.","Cyclo-P₃ Complexes of Vanadium: Redox Properties and Origin of the ³¹P NMR Chemical Shift.","Journal of the American Chemical Society","2015","137","48","15247","15261","10.1021/jacs.5b10074","","","0.71073","MoKα","","0.0788","0.0532","","","0.1369","0.1566","","","","","","1.022","","","","has coordinates","240405","2020-10-21","18:00:00",""
"4129740","13.1916","0.001","17.3669","0.0013","19.9287","0.0016","90","","90.145","0.003","90","","4565.6","0.6","100","2","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H70 Cl0.15 N2 O P2.55 V -","- C46 H70 Cl0.15 N2 O P2.55 V -","- C184 H280 Cl0.6 N8 O4 P10.2 V4 -","4","1","","Pinter, Balazs; Smith, Kyle T.; Kamitani, Masahiro; Zolnhofer, Eva M.; Tran, Ba L.; Fortier, Skye; Pink, Maren; Wu, Gang; Manor, Brian C.; Meyer, Karsten; Baik, Mu-Hyun; Mindiola, Daniel J.","Cyclo-P₃ Complexes of Vanadium: Redox Properties and Origin of the ³¹P NMR Chemical Shift.","Journal of the American Chemical Society","2015","137","48","15247","15261","10.1021/jacs.5b10074","","","0.71073","MoKα","","0.0966","0.0667","","","0.1305","0.1479","","","","","","1.098","","","","has coordinates","240406","2020-10-21","18:00:00",""
"4129741","12.0353","0.0004","17.0919","0.0006","17.2609","0.0006","72.408","0.002","71.873","0.002","80.801","0.002","3208.1","0.2","90","","90","","","","","","","","","4","P -1","-P 1","2","HexOMEind-DSD","","","- C144 H216 O4 Si4 -","- C144 H216 O4 Si4 -","- C144 H216 O4 Si4 -","1","0.5","","Li, Liangchun; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Coplanar Oligo(p-phenylenedisilenylene)s as Si═Si Analogues of Oligo(p-phenylenevinylene)s: Evidence for Extended π-Conjugation through the Carbon and Silicon π-Frameworks.","Journal of the American Chemical Society","2015","137","47","15026","15035","10.1021/jacs.5b10113","","","0.71073","MoKα","","0.0729","0.0543","","","0.1411","0.1562","","","","","","1.023","","","","has coordinates,has disorder","240407","2020-10-21","18:00:00",""
"4129742","25.656","0.005","11.2439","0.0018","21.551","0.004","90","","116.916","0.0019","90","","5543.4","1.7","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(HexO)MEindBr","","","- C30 H49 Br O -","- C30 H49 Br O -","- C240 H392 Br8 O8 -","8","1","","Li, Liangchun; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Coplanar Oligo(p-phenylenedisilenylene)s as Si═Si Analogues of Oligo(p-phenylenevinylene)s: Evidence for Extended π-Conjugation through the Carbon and Silicon π-Frameworks.","Journal of the American Chemical Society","2015","137","47","15026","15035","10.1021/jacs.5b10113","","","0.71073","MoKα","","0.0441","0.0367","","","0.0876","0.0921","","","","","","1.034","","","","has coordinates","240408","2020-10-21","18:00:00",""
"4129743","10.7674","0.0019","11.3808","0.0018","14.553","0.003","79.962","0.006","87.97","0.008","66.481","0.005","1609","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","HexOMEind-DSM","","","- C72 H108 O2 Si2 -","- C72 H108 O2 Si2 -","- C72 H108 O2 Si2 -","1","0.5","","Li, Liangchun; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Coplanar Oligo(p-phenylenedisilenylene)s as Si═Si Analogues of Oligo(p-phenylenevinylene)s: Evidence for Extended π-Conjugation through the Carbon and Silicon π-Frameworks.","Journal of the American Chemical Society","2015","137","47","15026","15035","10.1021/jacs.5b10113","","","0.71073","MoKα","","0.0663","0.0493","","","0.1414","0.1535","","","","","","1.036","","","","has coordinates,has disorder","240409","2020-10-21","18:00:00",""
"4129744","9.024","0.0007","13.945","0.0012","21.3226","0.0018","90","","90","","90","","2683.2","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H42 Co N3 -","- C29 H42 Co N3 -","- C116 H168 Co4 N12 -","4","1","","Friedfeld, Max R.; Shevlin, Michael; Margulieux, Grant W.; Campeau, Louis-Charles; Chirik, Paul J.","Cobalt-Catalyzed Enantioselective Hydrogenation of Minimally Functionalized Alkenes: Isotopic Labeling Provides Insight into the Origin of Stereoselectivity and Alkene Insertion Preferences.","Journal of the American Chemical Society","2016","138","10","3314","3324","10.1021/jacs.5b10148","","","0.71073","MoKα","","0.0263","0.0244","","","0.0663","0.0671","","","","","","1.071","","","","has coordinates","240410","2020-10-21","18:00:00",""
"4129745","7.6454","0.0004","5.5106","0.0003","14.2743","0.0007","90","","91.93","0.002","90","","601.05","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H16 O -","- C16 H16 O -","- C32 H32 O2 -","2","1","","Friedfeld, Max R.; Shevlin, Michael; Margulieux, Grant W.; Campeau, Louis-Charles; Chirik, Paul J.","Cobalt-Catalyzed Enantioselective Hydrogenation of Minimally Functionalized Alkenes: Isotopic Labeling Provides Insight into the Origin of Stereoselectivity and Alkene Insertion Preferences.","Journal of the American Chemical Society","2016","138","10","3314","3324","10.1021/jacs.5b10148","","","1.54178","CuKα","","0.0297","0.0294","","","0.0804","0.0806","","","","","","1.108","","","","has coordinates","240410","2020-10-21","18:00:00",""
"4129746","6.0914","0.0002","7.6445","0.0002","28.3648","0.0009","90","","90","","90","","1320.83","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N -","- C17 H19 N -","- C68 H76 N4 -","4","1","","Friedfeld, Max R.; Shevlin, Michael; Margulieux, Grant W.; Campeau, Louis-Charles; Chirik, Paul J.","Cobalt-Catalyzed Enantioselective Hydrogenation of Minimally Functionalized Alkenes: Isotopic Labeling Provides Insight into the Origin of Stereoselectivity and Alkene Insertion Preferences.","Journal of the American Chemical Society","2016","138","10","3314","3324","10.1021/jacs.5b10148","","","1.54178","CuKα","","0.0274","0.0269","","","0.0671","0.0675","","","","","","1.057","","","","has coordinates","240410","2020-10-21","18:00:00",""
"4129747","11.6801","0.0004","16.8701","0.0006","18.0924","0.0006","90","","90","","90","","3565","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Cl -","- C15 H13 Cl -","- C180 H156 Cl12 -","12","3","","Friedfeld, Max R.; Shevlin, Michael; Margulieux, Grant W.; Campeau, Louis-Charles; Chirik, Paul J.","Cobalt-Catalyzed Enantioselective Hydrogenation of Minimally Functionalized Alkenes: Isotopic Labeling Provides Insight into the Origin of Stereoselectivity and Alkene Insertion Preferences.","Journal of the American Chemical Society","2016","138","10","3314","3324","10.1021/jacs.5b10148","","","1.54178","CuKα","","0.0269","0.0264","","","0.0688","0.0699","","","","","","1.042","","","","has coordinates","240410","2020-10-21","18:00:00",""
"4129748","5.4967","0.0001","8.2618","0.0002","28.2779","0.0007","90","","90","","90","","1284.17","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O -","- C17 H18 O -","- C68 H72 O4 -","4","1","","Friedfeld, Max R.; Shevlin, Michael; Margulieux, Grant W.; Campeau, Louis-Charles; Chirik, Paul J.","Cobalt-Catalyzed Enantioselective Hydrogenation of Minimally Functionalized Alkenes: Isotopic Labeling Provides Insight into the Origin of Stereoselectivity and Alkene Insertion Preferences.","Journal of the American Chemical Society","2016","138","10","3314","3324","10.1021/jacs.5b10148","","","1.54178","CuKα","","0.0254","0.0245","","","0.0634","0.0639","","","","","","1.066","","","","has coordinates","240410","2020-10-21","18:00:00",""
"4129749","20.2964","0.0009","5.6535","0.0002","20.5834","0.0009","90","","107.083","0.005","90","","2257.65","0.17","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 F6 N O4 S -","- C21 H22 F6 N O4 S -","- C84 H88 F24 N4 O16 S4 -","4","1","","Zhou, Taigang; Luo, Fei-Xian; Yang, Ming-Yu; Shi, Zhang-Jie","Silver-Catalyzed Long-Distance Aryl Migration from Carbon Center to Nitrogen Center.","Journal of the American Chemical Society","2015","137","46","14586","14589","10.1021/jacs.5b10267","","","0.7107","MoKα","","0.0747","0.0533","","","0.1219","0.1323","","","","","","1.087","","","","has coordinates","240411","2020-10-21","18:00:00",""
"4129750","9.7066","0.0006","10.7975","0.0007","17.3275","0.0009","73.895","0.005","83.456","0.005","64.558","0.006","1575.54","0.19","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H29 Au F9 O2 P -","- C32 H29 Au F9 O2 P -","- C64 H58 Au2 F18 O4 P2 -","2","1","","García-Domínguez, Patricia; Nevado, Cristina","Au-Pd Bimetallic Catalysis: The Importance of Anionic Ligands in Catalyst Speciation.","Journal of the American Chemical Society","2016","138","10","3266","3269","10.1021/jacs.5b10277","","","0.71073","MoKα","","0.052","0.0424","","","0.1013","0.1067","","","","","","1.14","","","","has coordinates,has disorder","240412","2020-10-21","18:00:00",""
"4129751","10.4928","0.0018","7.5529","0.0013","13.883","0.002","90","","98.217","0.004","90","","1088.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H35 N O3 -","- C26 H35 N O3 -","- C52 H70 N2 O6 -","2","1","","Howell, Jennifer M.; Feng, Kaibo; Clark, Joseph R.; Trzepkowski, Louis J.; White, M. Christina","Remote Oxidation of Aliphatic C-H Bonds in Nitrogen-Containing Molecules.","Journal of the American Chemical Society","2015","137","46","14590","14593","10.1021/jacs.5b10299","","","1.54178","CuKα","","0.0342","0.0339","","","0.0847","0.085","","","","","","1.137","","","","has coordinates","240413","2020-10-21","18:00:00",""
"4129752","16.2898","0.0008","24.1007","0.0013","32.3023","0.0017","93.428","0.003","102.052","0.003","107.203","0.002","11746.7","1.1","100","2","100.07","","","","","","","","","7","P -1","-P 1","2","","","","- C202 H205 F72 N23 O20 P12 Se4 -","- C202 H205 F72 N23 O20 P12 Se4 -","- C404 H410 F144 N46 O40 P24 Se8 -","2","1","","Ryan, Seán T J; Young, Ryan M.; Henkelis, James J.; Hafezi, Nema; Vermeulen, Nicolaas A.; Hennig, Andreas; Dale, Edward J.; Wu, Yilei; Krzyaniak, Matthew D.; Fox, Athan; Nau, Werner M.; Wasielewski, Michael R.; Stoddart, J. Fraser; Scherman, Oren A.","Energy and Electron Transfer Dynamics within a Series of Perylene Diimide/Cyclophane Systems.","Journal of the American Chemical Society","2015","137","48","15299","15307","10.1021/jacs.5b10329","","","0.71073","MoKα","","0.1202","0.0868","","","0.2637","0.2878","","","","","","1.113","","","","has coordinates,has disorder","240414","2020-10-21","18:00:00",""
"4129753","18.7124","0.0007","20.003","0.0008","20.6195","0.0008","71.672","0.002","87.991","0.002","64.714","0.002","6580","0.5","100","2","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C119 H127.5 F36 N18.5 O10 P6 -","- C119 H127.5 F36 N18.5 O10 P6 -","- C238 H255 F72 N37 O20 P12 -","2","1","","Ryan, Seán T J; Young, Ryan M.; Henkelis, James J.; Hafezi, Nema; Vermeulen, Nicolaas A.; Hennig, Andreas; Dale, Edward J.; Wu, Yilei; Krzyaniak, Matthew D.; Fox, Athan; Nau, Werner M.; Wasielewski, Michael R.; Stoddart, J. Fraser; Scherman, Oren A.","Energy and Electron Transfer Dynamics within a Series of Perylene Diimide/Cyclophane Systems.","Journal of the American Chemical Society","2015","137","48","15299","15307","10.1021/jacs.5b10329","","","1.54178","CuKα","","0.0942","0.0877","","","0.241","0.2475","","","","","","1.031","","","","has coordinates,has disorder","240415","2020-10-21","18:00:00",""
"4129754","7.7663","0.0003","10.6382","0.0004","17.0714","0.0007","89.292","0.002","83.763","0.002","73.444","0.002","1343.7","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H42 F24 N6 P4 S2 -","- C48 H42 F24 N6 P4 S2 -","- C48 H42 F24 N6 P4 S2 -","1","0.5","","Ryan, Seán T J; Young, Ryan M.; Henkelis, James J.; Hafezi, Nema; Vermeulen, Nicolaas A.; Hennig, Andreas; Dale, Edward J.; Wu, Yilei; Krzyaniak, Matthew D.; Fox, Athan; Nau, Werner M.; Wasielewski, Michael R.; Stoddart, J. Fraser; Scherman, Oren A.","Energy and Electron Transfer Dynamics within a Series of Perylene Diimide/Cyclophane Systems.","Journal of the American Chemical Society","2015","137","48","15299","15307","10.1021/jacs.5b10329","","","1.54178","CuKα","","0.0676","0.0554","","","0.127","0.1363","","","","","","1.049","","","","has coordinates","240416","2020-10-21","18:00:00",""
"4129755","10.1807","0.0002","11.1872","0.0003","14.0332","0.0004","101.093","0.002","92.183","0.002","102.516","0.002","1525.84","0.07","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H45 F24 N7 P4 Se2 -","- C50 H45 F24 N7 P4 Se2 -","- C50 H45 F24 N7 P4 Se2 -","1","0.5","","Ryan, Seán T J; Young, Ryan M.; Henkelis, James J.; Hafezi, Nema; Vermeulen, Nicolaas A.; Hennig, Andreas; Dale, Edward J.; Wu, Yilei; Krzyaniak, Matthew D.; Fox, Athan; Nau, Werner M.; Wasielewski, Michael R.; Stoddart, J. Fraser; Scherman, Oren A.","Energy and Electron Transfer Dynamics within a Series of Perylene Diimide/Cyclophane Systems.","Journal of the American Chemical Society","2015","137","48","15299","15307","10.1021/jacs.5b10329","","","0.71073","MoKα","","0.0717","0.0587","","","0.1624","0.175","","","","","","1.07","","","","has coordinates,has disorder","240416","2020-10-21","18:00:00",""
"4129756","24.313","0.0012","9.277","0.0005","19.2048","0.0011","90","","90","","90","","4331.7","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C51 H58 N Ni O4 P -","- C51 H58 N Ni O4 P -","- C204 H232 N4 Ni4 O16 P4 -","4","1","","Cai, Zhongzheng; Xiao, Dawei; Do, Loi H.","Fine-Tuning Nickel Phenoxyimine Olefin Polymerization Catalysts: Performance Boosting by Alkali Cations.","Journal of the American Chemical Society","2015","137","49","15501","15510","10.1021/jacs.5b10351","","","0.71073","MoKα","","0.0215","0.0211","","","0.0576","0.0577","","","","","","1.028","","","","has coordinates","240417","2020-10-21","18:00:00",""
"4129757","12.161","0.004","18.24","0.006","18.943","0.006","85.263","0.004","80.079","0.004","86.325","0.004","4120","2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C84.5 H74 B F24 N Na Ni O5 P -","- C84.5 H74 B F24 N Na Ni O5 P -","- C169 H148 B2 F48 N2 Na2 Ni2 O10 P2 -","2","1","","Cai, Zhongzheng; Xiao, Dawei; Do, Loi H.","Fine-Tuning Nickel Phenoxyimine Olefin Polymerization Catalysts: Performance Boosting by Alkali Cations.","Journal of the American Chemical Society","2015","137","49","15501","15510","10.1021/jacs.5b10351","","","0.71073","MoKα","","0.0905","0.0726","","","0.1796","0.1924","","","","","","1.031","","","","has coordinates,has disorder","240417","2020-10-21","18:00:00",""
"4129758","11.539","0.003","19.626","0.004","21.139","0.005","62.823","0.002","78.79","0.003","88.281","0.003","4168","1.7","426","2","426","2","","","","","","","","9","P -1","-P 1","2","","","","- C84 H72 B F24 K N Ni O6 P -","- C84 H72 B F24 K N Ni O6 P -","- C168 H144 B2 F48 K2 N2 Ni2 O12 P2 -","2","1","","Cai, Zhongzheng; Xiao, Dawei; Do, Loi H.","Fine-Tuning Nickel Phenoxyimine Olefin Polymerization Catalysts: Performance Boosting by Alkali Cations.","Journal of the American Chemical Society","2015","137","49","15501","15510","10.1021/jacs.5b10351","","","0.71073","MoKα","","0.0637","0.0517","","","0.1288","0.1383","","","","","","1.037","","","","has coordinates,has disorder","240417","2020-10-21","18:00:00",""
"4129759","12.0736","0.001","59.562","0.005","17.2666","0.0014","90","","101.397","0.004","90","","12172","1.8","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C128 H118 B F24 N2 Na Ni2 O8 P2 -","- C128 H118 B F24 N2 Na Ni2 O8 P2 -","- C512 H472 B4 F96 N8 Na4 Ni8 O32 P8 -","4","1","","Cai, Zhongzheng; Xiao, Dawei; Do, Loi H.","Fine-Tuning Nickel Phenoxyimine Olefin Polymerization Catalysts: Performance Boosting by Alkali Cations.","Journal of the American Chemical Society","2015","137","49","15501","15510","10.1021/jacs.5b10351","","","0.71073","MoKα","","0.1364","0.0897","","","0.2223","0.2562","","","","","","1.053","","","","has coordinates,has disorder","240417","2020-10-21","18:00:00",""
"4129760","10.28","0.003","7.7913","0.0019","6.3715","0.0016","90","","119.12","0.03","90","","445.8","0.2","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","Manganese silicon carbide","","","- C4 Mn16 Si -","- C4 Mn16 Si -","- C8 Mn32 Si2 -","2","0.25","","Fredrickson, Rie T.; Guo, Yiming; Fredrickson, Daniel C.","Epitaxial Stabilization between Intermetallic and Carbide Domains in the Structures of Mn16SiC4 and Mn17Si2C4.","Journal of the American Chemical Society","2016","138","1","248","256","10.1021/jacs.5b10355","","x-ray","0.71069","MoKα","","0.0466","0.0265","","","0.0459","0.0536","","","","1.11","1.11","1.12","","","","has coordinates","240418","2020-10-21","18:00:00",""
"4129761","6.4114","0.0009","7.6648","0.0005","10.4946","0.0016","90","","106.247","0.013","90","","495.13","0.11","293","","293","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Manganese silicon carbide","","","- C4 Mn17 Si2 -","- C4 Mn17 Si2 -","- C8 Mn34 Si4 -","2","0.5","","Fredrickson, Rie T.; Guo, Yiming; Fredrickson, Daniel C.","Epitaxial Stabilization between Intermetallic and Carbide Domains in the Structures of Mn16SiC4 and Mn17Si2C4.","Journal of the American Chemical Society","2016","138","1","248","256","10.1021/jacs.5b10355","","x-ray","0.71073","MoKα","","0.0505","0.0329","","","0.0338","0.0383","","","","1.19","1.19","1.16","","","","has coordinates","240419","2020-10-21","18:00:00",""
"4129762","13.5632","0.0005","13.5632","0.0005","8.7449","0.0005","90","","90","","120","","1393.19","0.11","100","2","99.99","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C40 H62 Cl6 Fe2 N8 O20 -","- C21.9996 H15.9984 Cl6 Fe2 N1.9998 O13.9998 -","- C21.9996 H15.9984 Cl6 Fe2 N1.9998 O13.9998 -","1","0.0833333","","Jeon, Ie-Rang; Negru, Bogdan; Van Duyne, Richard P.; Harris, T. David","A 2D Semiquinone Radical-Containing Microporous Magnet with Solvent-Induced Switching from Tc = 26 to 80 K.","Journal of the American Chemical Society","2015","137","50","15699","15702","10.1021/jacs.5b10382","","","1.54178","CuKα","","0.1072","0.0954","","","0.2481","0.2651","","","","","","1.173","","","","has coordinates","240420","2020-10-21","18:00:00",""
"4129763","13.6682","0.0006","13.6682","0.0006","8.887","0.0005","90","","90","","120","","1437.83","0.12","100","2","99.99","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C40 H62 Cl6 N8 O20 Zn2 -","- C21.9996 H15.9984 Cl6 N1.9998 O13.9998 Zn2 -","- C21.9996 H15.9984 Cl6 N1.9998 O13.9998 Zn2 -","1","0.0833333","","Jeon, Ie-Rang; Negru, Bogdan; Van Duyne, Richard P.; Harris, T. David","A 2D Semiquinone Radical-Containing Microporous Magnet with Solvent-Induced Switching from Tc = 26 to 80 K.","Journal of the American Chemical Society","2015","137","50","15699","15702","10.1021/jacs.5b10382","","","1.54178","CuKα","","0.0983","0.0939","","","0.2327","0.2469","","","","","","1.142","","","","has coordinates","240420","2020-10-21","18:00:00",""
"4129764","22.1401","0.0005","22.1401","0.0005","22.1401","0.0005","90","","90","","90","","10852.7","0.4","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C50 H78 Fe2 N2 O12 -","- C49.9968 H77.9928 Fe2 N1.9998 O12 -","- C399.974 H623.942 Fe16 N15.9984 O96 -","8","0.166667","","Darago, Lucy E.; Aubrey, Michael L.; Yu, Chung Jui; Gonzalez, Miguel I.; Long, Jeffrey R.","Electronic Conductivity, Ferrimagnetic Ordering, and Reductive Insertion Mediated by Organic Mixed-Valence in a Ferric Semiquinoid Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","50","15703","15711","10.1021/jacs.5b10385","","","0.8856","synchrotron","","0.0834","0.0733","","","0.1966","0.2064","","","","","","1.168","","","","has coordinates,has disorder","240421","2020-10-21","18:00:00",""
"4129765","18.4506","0.0004","10.6276","0.0003","19.3662","0.0005","90","","104.431","0.003","90","","3677.62","0.17","120.01","0.1","120.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H30 I N3 -","- C15 H30 I N3 -","- C120 H240 I8 N24 -","8","1","","Wallace, Andrew J.; Jayasinghe, Chaminda D.; Polson, Matthew I. J.; Curnow, Owen J.; Crittenden, Deborah L.","Cyclopropenium Cations Break the Rules of Attraction to Form Closely Bound Dimers.","Journal of the American Chemical Society","2015","137","49","15528","15532","10.1021/jacs.5b10388","","x-ray","1.54184","CuKα","","0.0263","0.0234","","","0.0613","0.0634","","","","","","1.026","","","","has coordinates","240422","2020-10-21","18:00:00",""
"4129766","8.8521","0.0003","9.8476","0.0003","9.8497","0.0005","60.102","0.004","69.491","0.004","80.061","0.003","697.17","0.06","120.02","0.1","120.02","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H24 Cl N3 -","- C12 H24 Cl N3 -","- C24 H48 Cl2 N6 -","2","1","","Wallace, Andrew J.; Jayasinghe, Chaminda D.; Polson, Matthew I. J.; Curnow, Owen J.; Crittenden, Deborah L.","Cyclopropenium Cations Break the Rules of Attraction to Form Closely Bound Dimers.","Journal of the American Chemical Society","2015","137","49","15528","15532","10.1021/jacs.5b10388","","x-ray","1.54184","CuKα","","0.0337","0.0297","","","0.0784","0.081","","","","","","1.05","","","","has coordinates","240423","2020-10-21","18:00:00",""
"4129767","14.2394","0.0004","26.1832","0.0007","15.1396","0.0004","90","","92.935","0.002","90","","5637.1","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H58 Cl2 I2 O -","- C63 H58 Cl2 I2 O -","- C252 H232 Cl8 I8 O4 -","4","1","","Liu, Junzhi; Narita, Akimitsu; Osella, Silvio; Zhang, Wen; Schollmeyer, Dieter; Beljonne, David; Feng, Xinliang; Müllen, Klaus","Unexpected Scholl Reaction of 6,7,13,14-Tetraarylbenzo[k]tetraphene: Selective Formation of Five-Membered Rings in Polycyclic Aromatic Hydrocarbons.","Journal of the American Chemical Society","2016","138","8","2602","2608","10.1021/jacs.5b10399","","","0.71073","MoKα","","0.0841","0.0496","","","0.1271","0.1484","","","","","","1.032","","","","has coordinates,has disorder","240424","2020-10-21","18:00:00",""
"4129768","21.3286","0.0015","10.7441","0.001","25.2843","0.0015","90","","109.77","0.005","90","","5452.6","0.7","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C62 H58 O -","- C62 H58 O -","- C248 H232 O4 -","4","1","","Liu, Junzhi; Narita, Akimitsu; Osella, Silvio; Zhang, Wen; Schollmeyer, Dieter; Beljonne, David; Feng, Xinliang; Müllen, Klaus","Unexpected Scholl Reaction of 6,7,13,14-Tetraarylbenzo[k]tetraphene: Selective Formation of Five-Membered Rings in Polycyclic Aromatic Hydrocarbons.","Journal of the American Chemical Society","2016","138","8","2602","2608","10.1021/jacs.5b10399","","","0.71073","MoKα","","0.2417","0.0908","","","0.2146","0.3095","","","","","","0.928","","","","has coordinates,has disorder","240425","2020-10-21","18:00:00",""
"4129769","18.9493","0.0009","21.4331","0.001","14.0256","0.0007","90","","106.246","0.004","90","","5468.9","0.5","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63 H62 Cl2 I2 -","- C63 H62 Cl2 I2 -","- C252 H248 Cl8 I8 -","4","0.5","","Liu, Junzhi; Narita, Akimitsu; Osella, Silvio; Zhang, Wen; Schollmeyer, Dieter; Beljonne, David; Feng, Xinliang; Müllen, Klaus","Unexpected Scholl Reaction of 6,7,13,14-Tetraarylbenzo[k]tetraphene: Selective Formation of Five-Membered Rings in Polycyclic Aromatic Hydrocarbons.","Journal of the American Chemical Society","2016","138","8","2602","2608","10.1021/jacs.5b10399","","","0.71073","MoKα","","0.07","0.0662","","","0.1687","0.1724","","","","","","1.148","","","","has coordinates,has disorder","240426","2020-10-21","18:00:00",""
"4129770","10.474","0.002","15.073","0.003","18.188","0.004","90.659","0.006","106.259","0.006","105.609","0.006","2643.2","0.9","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C62 H58 -","- C62 H58 -","- C124 H116 -","2","1","","Liu, Junzhi; Narita, Akimitsu; Osella, Silvio; Zhang, Wen; Schollmeyer, Dieter; Beljonne, David; Feng, Xinliang; Müllen, Klaus","Unexpected Scholl Reaction of 6,7,13,14-Tetraarylbenzo[k]tetraphene: Selective Formation of Five-Membered Rings in Polycyclic Aromatic Hydrocarbons.","Journal of the American Chemical Society","2016","138","8","2602","2608","10.1021/jacs.5b10399","","","0.71073","MoKα","","0.3213","0.0948","","","0.2003","0.2929","","","","","","0.885","","","","has coordinates,has disorder","240427","2020-10-21","18:00:00",""
"4129771","4.8225","0.0004","8.003","0.0005","15.9946","0.001","90","","97.432","0.002","90","","612.12","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N4 O5 S -","- C10 H14 N4 O5 S -","- C20 H28 N8 O10 S2 -","2","1","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Chemical Mutagenesis of an Emissive RNA Alphabet.","Journal of the American Chemical Society","2015","137","46","14602","14605","10.1021/jacs.5b10420","","x-ray","0.71073","MoKα","","0.0274","0.0249","","","0.0562","0.0575","","","","","","1.061","","","","has coordinates","240428","2020-10-21","18:00:00",""
"4129772","6.383","0.0002","8.0212","0.0002","22.0071","0.0005","90","","90","","90","","1126.75","0.05","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N3 O6 S -","- C10 H11 N3 O6 S -","- C40 H44 N12 O24 S4 -","4","1","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Chemical Mutagenesis of an Emissive RNA Alphabet.","Journal of the American Chemical Society","2015","137","46","14602","14605","10.1021/jacs.5b10420","","x-ray","0.71073","MoKα","","0.0246","0.0235","","","0.0587","0.0597","","","","","","1.084","","","","has coordinates","240429","2020-10-21","18:00:00",""
"4129773","4.8777","0.0004","7.7049","0.0008","17.0972","0.0015","81.369","0.007","82.83","0.006","72.019","0.007","602.14","0.1","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C10 H13 N4 O5.5 S -","- C10 H13 N4 O5.5 S -","- C20 H26 N8 O11 S2 -","2","2","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Chemical Mutagenesis of an Emissive RNA Alphabet.","Journal of the American Chemical Society","2015","137","46","14602","14605","10.1021/jacs.5b10420","","x-ray","1.54178","CuKα","","0.0514","0.0458","","","0.1167","0.1202","","","","","","1.034","","","","has coordinates,has disorder","240430","2020-10-21","18:00:00",""
"4129774","6.9429","0.0003","11.0987","0.0004","16.3128","0.0006","90","","90","","90","","1257.02","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N4 O6 S -","- C10 H14 N4 O6 S -","- C40 H56 N16 O24 S4 -","4","1","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Chemical Mutagenesis of an Emissive RNA Alphabet.","Journal of the American Chemical Society","2015","137","46","14602","14605","10.1021/jacs.5b10420","","x-ray","0.71073","MoKα","","0.0464","0.0378","","","0.0829","0.0888","","","","","","1.019","","","","has coordinates","240431","2020-10-21","18:00:00",""
"4129775","13.4908","0.0018","18.694","0.003","19.366","0.003","98.2422","0.0018","92.1817","0.0019","108.396","0.0018","4568.5","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H71 N5 O7 S3 Zn -","- C43 H71 N5 O7 S3 Zn -","- C172 H284 N20 O28 S12 Zn4 -","4","2","","Wallen, Christian M.; Bacsa, John; Scarborough, Christopher C.","Hydrogen Peroxide Complex of Zinc.","Journal of the American Chemical Society","2015","137","46","14606","14609","10.1021/jacs.5b10450","","","0.71073","MoKα","","0.0588","0.0431","","","0.1087","0.1204","","","","","","1.045","","","","has coordinates","240432","2020-10-21","18:00:00",""
"4129776","9.117","0.002","13.492","0.003","20.272","0.004","97.526","0.003","96.225","0.003","109.087","0.003","2305.5","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H73 N7 O6 S3 Zn -","- C43 H73 N7 O6 S3 Zn -","- C86 H146 N14 O12 S6 Zn2 -","2","1","","Wallen, Christian M.; Bacsa, John; Scarborough, Christopher C.","Hydrogen Peroxide Complex of Zinc.","Journal of the American Chemical Society","2015","137","46","14606","14609","10.1021/jacs.5b10450","","","0.71073","MoKα","","0.0954","0.0713","","","0.1624","0.1793","","","","","","1.042","","","","has coordinates,has disorder","240432","2020-10-21","18:00:00",""
"4129777","13.579","0.002","18.615","0.003","20.015","0.004","90.555","0.002","100.31","0.002","110.958","0.002","4633.3","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H72 N6 O7 S3 Zn -","- C43 H72 N6 O7 S3 Zn -","- C172 H288 N24 O28 S12 Zn4 -","4","2","","Wallen, Christian M.; Bacsa, John; Scarborough, Christopher C.","Hydrogen Peroxide Complex of Zinc.","Journal of the American Chemical Society","2015","137","46","14606","14609","10.1021/jacs.5b10450","","","0.71073","MoKα","","0.0795","0.0541","","","0.1162","0.1356","","","","","","1.057","","","","has coordinates,has disorder","240432","2020-10-21","18:00:00",""
"4129778","9.3583","0.0012","13.4896","0.0018","19.634","0.003","92.9514","0.0019","97.9613","0.0018","109.139","0.0019","2306.6","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H142 N10 O15 S6 Zn2 -","- C86 H142 N10 O15.042 S6 Zn2 -","- C86 H142 N10 O15.042 S6 Zn2 -","1","0.5","","Wallen, Christian M.; Bacsa, John; Scarborough, Christopher C.","Hydrogen Peroxide Complex of Zinc.","Journal of the American Chemical Society","2015","137","46","14606","14609","10.1021/jacs.5b10450","","","0.71073","MoKα","","0.1204","0.0864","","","0.1938","0.2157","","","","","","1.066","","","","has coordinates,has disorder","240432","2020-10-21","18:00:00",""
"4129779","14.5774","0.0003","6.8259","0.0002","18.9312","0.0003","90","","91.214","0.003","90","","1883.3","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N3 O -","- C23 H25 N3 O -","- C92 H100 N12 O4 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","1.54184","CuKα","","0.0363","0.0347","","","0.0855","0.087","","","","","","1.054","","","","has coordinates","240433","2020-10-21","18:00:00",""
"4129780","9.612","0.003","13.722","0.004","20.66","0.005","98.779","0.003","100.844","0.004","104.414","0.004","2534.4","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 N4 O4 -","- C31 H26 N4 O4 -","- C124 H104 N16 O16 -","4","2","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0638","0.0576","","","0.1235","0.1269","","","","","","1.171","","","","has coordinates","240434","2020-10-21","18:00:00",""
"4129781","8.2732","0.0005","9.8942","0.0005","11.5115","0.0006","113.601","0.003","93.988","0.004","95.806","0.004","852.76","0.08","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C42 H44 O6 -","2","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71073","MoKα","","0.0635","0.0425","","","0.0986","0.1122","","","","","","1.024","","","","has coordinates","240435","2020-10-21","18:00:00",""
"4129782","13.426","0.002","10.852","0.002","15.863","0.003","90","","100.065","0.004","90","","2275.7","0.7","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N4 O4 -","- C26 H24 N4 O4 -","- C104 H96 N16 O16 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0891","0.0604","","","0.1357","0.1504","","","","","","1.108","","","","has coordinates,has disorder","240436","2020-10-21","18:00:00",""
"4129783","20.415","0.004","7.2172","0.0012","16.172","0.003","90","","107.535","0.005","90","","2272","0.7","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N4 O4 -","- C26 H24 N4 O4 -","- C104 H96 N16 O16 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0907","0.0646","","","0.1496","0.1624","","","","","","1.133","","","","has coordinates,has disorder","240437","2020-10-21","18:00:00",""
"4129784","12.6341","0.0005","12.6344","0.0006","21.0063","0.0009","80.013","0.004","80.135","0.004","83.526","0.004","3241.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C168 H176 N16 O8 -","8","4","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","1.54184","CuKα","","0.0443","0.0403","","","0.1165","0.1215","","","","","","1.037","","","","has coordinates,has disorder","240438","2020-10-21","18:00:00",""
"4129785","7.739","0.0001","12.2403","0.0002","12.9606","0.0002","109.504","0.001","103.014","0.001","104.003","0.001","1058.19","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H24 N2 -","- C30 H24 N2 -","- C60 H48 N4 -","2","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","1.54184","CuKα","","0.0384","0.0371","","","0.0923","0.0929","","","","","","1.062","","","","has coordinates","240439","2020-10-21","18:00:00",""
"4129786","19.693","0.0012","5.4137","0.0004","20.9598","0.0013","90","","95.746","0.003","90","","2223.3","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N4 O4 -","- C23 H26 N4 O4 -","- C92 H104 N16 O16 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71073","MoKα","","0.1185","0.0696","","","0.1782","0.2202","","","","","","1.153","","","","has coordinates,has disorder","240440","2020-10-21","18:00:00",""
"4129787","8.8644","0.0016","16.998","0.003","16.172","0.003","90","","103.813","0.004","90","","2366.3","0.7","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Cl N2 P2 Rh -","- C22 H32 Cl N2 P2 Rh -","- C88 H128 Cl4 N8 P8 Rh4 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71073","MoKα","","0.0396","0.0326","","","0.0687","0.071","","","","","","1.207","","","","has coordinates,has disorder","240441","2020-10-21","18:00:00",""
"4129788","31.962","0.003","9.9135","0.0006","12.5334","0.0011","90","","90","","90","","3971.3","0.6","163","2","163","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C47 H42 Cl N2 O P2 Rh -","- C47 H42 Cl N2 O P2 Rh -","- C188 H168 Cl4 N8 O4 P8 Rh4 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0442","0.0411","","","0.0897","0.0919","","","","","","1.08","","","","has coordinates,has disorder","240442","2020-10-21","18:00:00",""
"4129789","20.4234","0.0008","18.1345","0.0007","42.812","0.0017","90","","93.299","0.002","90","","15829.9","1.1","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C50 H40 Cl P2 Rh -","- C50 H40 Cl P2 Rh -","- C800 H640 Cl16 P32 Rh16 -","16","2","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0667","0.0436","","","0.0941","0.101","","","","","","1.083","","","","has coordinates","240443","2020-10-21","18:00:00",""
"4129790","25.467","0.002","5.5885","0.0004","22.635","0.002","90","","100.763","0.005","90","","3164.8","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 O -","- C22 H18 O -","- C176 H144 O8 -","8","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71073","MoKα","","0.0503","0.0409","","","0.1032","0.1109","","","","","","1.028","","","","has coordinates","240444","2020-10-21","18:00:00",""
"4129791","10.258","0.002","12.165","0.003","17.216","0.004","91.325","0.003","91.752","0.004","108.4","0.004","2036.4","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H44 Cl N2 O P2 Rh -","- C49 H44 Cl N2 O P2 Rh -","- C98 H88 Cl2 N4 O2 P4 Rh2 -","2","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0331","0.0285","","","0.0691","0.0709","","","","","","1.061","","","","has coordinates,has disorder","240445","2020-10-21","18:00:00",""
"4129792","8.1788","0.0003","10.2198","0.0004","11.0688","0.0004","65.187","0.002","89.264","0.002","78.398","0.002","819.96","0.06","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O -","- C21 H22 O -","- C42 H44 O2 -","2","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71073","MoKα","","0.0626","0.0453","","","0.1118","0.1291","","","","","","1.04","","","","has coordinates","240446","2020-10-21","18:00:00",""
"4129793","9.049","0.003","18.785","0.005","13.924","0.004","90","","103.144","0.006","90","","2304.9","1.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 N4 O4 -","- C27 H26 N4 O4 -","- C108 H104 N16 O16 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.1149","0.0676","","","0.1576","0.1866","","","","","","1.003","","","","has coordinates","240447","2020-10-21","18:00:00",""
"4129794","15.473","0.008","15.483","0.007","7.159","0.004","90","","94.355","0.009","90","","1710.1","1.5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N4 O4 -","- C17 H22 N4 O4 -","- C68 H88 N16 O16 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.1918","0.066","","","0.1332","0.1706","","","","","","0.848","","","","has coordinates","240448","2020-10-21","18:00:00",""
"4129795","8.886","0.002","11.91","0.003","12.36","0.003","87.837","0.006","72.486","0.006","84.691","0.006","1242","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 N4 O6 -","- C27 H26 N4 O6 -","- C54 H52 N8 O12 -","2","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0531","0.0425","","","0.1093","0.1184","","","","","","0.972","","","","has coordinates","240449","2020-10-21","18:00:00",""
"4129796","8.6034","0.0005","11.4619","0.0007","12.4741","0.0007","90","","99.838","0.002","90","","1212","0.12","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71073","MoKα","","0.0522","0.0347","","","0.0753","0.0854","","","","","","1.05","","","","has coordinates","240450","2020-10-21","18:00:00",""
"4129797","8.104","0.005","32.55","0.02","8.686","0.005","90","","101.405","0.012","90","","2246","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N4 O4 -","- C25 H22 N4 O4 -","- C100 H88 N16 O16 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71073","MoKα","","0.1528","0.0606","","","0.1465","0.1882","","","","","","1.011","","","","has coordinates","240451","2020-10-21","18:00:00",""
"4129798","22.625","0.007","5.5352","0.0017","32.006","0.01","90","","101.103","0.007","90","","3933","2","163","2","163","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 -","- C26 H24 N2 -","- C208 H192 N16 -","8","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0832","0.0578","","","0.1329","0.1472","","","","","","1.043","","","","has coordinates","240452","2020-10-21","18:00:00",""
"4129799","10.0441","0.0015","10.5253","0.0016","11.3491","0.0015","78.453","0.008","71.594","0.008","68.025","0.008","1051.1","0.3","223","2","223","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H35 Mn2 N5 O9 -","- C43 H35 Mn2 N5 O9 -","- C43 H35 Mn2 N5 O9 -","1","0.5","","Foo, Maw Lin; Matsuda, Ryotaro; Hijikata, Yuh; Krishna, Rajamani; Sato, Hiroshi; Horike, Satoshi; Hori, Akihiro; Duan, Jingui; Sato, Yohei; Kubota, Yoshiki; Takata, Masaki; Kitagawa, Susumu","An Adsorbate Discriminatory Gate Effect in a Flexible Porous Coordination Polymer for Selective Adsorption of CO2 over C2H2.","Journal of the American Chemical Society","2016","138","9","3022","3030","10.1021/jacs.5b10491","","","0.71073","MoKα","","","0.1105","","","","0.2503","","","","","","1.256","","","","has coordinates","240454","2020-10-21","18:00:00",""
"4129800","9.296","0.006","10.188","0.007","12.034","0.008","95.769","0.009","99.637","0.003","115.673","0.008","993.3","1.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Mn N2 O4 -","- C20 H14 Mn N2 O4 -","- C40 H28 Mn2 N4 O8 -","2","1","","Foo, Maw Lin; Matsuda, Ryotaro; Hijikata, Yuh; Krishna, Rajamani; Sato, Hiroshi; Horike, Satoshi; Hori, Akihiro; Duan, Jingui; Sato, Yohei; Kubota, Yoshiki; Takata, Masaki; Kitagawa, Susumu","An Adsorbate Discriminatory Gate Effect in a Flexible Porous Coordination Polymer for Selective Adsorption of CO2 over C2H2.","Journal of the American Chemical Society","2016","138","9","3022","3030","10.1021/jacs.5b10491","","","0.71073","MoKα","","0.0678","0.0581","","","0.1638","0.1759","","","","","","1.225","","","","has coordinates","240454","2020-10-21","18:00:00",""
"4129801","10.0354","0.0007","10.8657","0.0008","10.8045","0.0009","92.238","0.007","98.521","0.005","121.811","0.005","980.45","0.14","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Mn N2 O4 -","- C20 H14 Mn N2 O4 -","- C40 H28 Mn2 N4 O8 -","2","1","","Foo, Maw Lin; Matsuda, Ryotaro; Hijikata, Yuh; Krishna, Rajamani; Sato, Hiroshi; Horike, Satoshi; Hori, Akihiro; Duan, Jingui; Sato, Yohei; Kubota, Yoshiki; Takata, Masaki; Kitagawa, Susumu","An Adsorbate Discriminatory Gate Effect in a Flexible Porous Coordination Polymer for Selective Adsorption of CO2 over C2H2.","Journal of the American Chemical Society","2016","138","9","3022","3030","10.1021/jacs.5b10491","powder diffraction","","0.8","synchrotron","","","","","","","","","","1.54","","","","","","","has coordinates","240454","2020-10-21","18:00:00",""
"4129802","11.3862","0.0002","21.3855","0.0003","21.4813","0.0003","82.214","0.001","82.982","0.001","78.224","0.001","5049.24","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","BETX","","","- C70 H58 O -","- C70 H58 O -","- C280 H232 O4 -","4","2","","Korovina, Nadezhda V.; Das, Saptaparna; Nett, Zachary; Feng, Xintian; Joy, Jimmy; Haiges, Ralf; Krylov, Anna I.; Bradforth, Stephen E.; Thompson, Mark E.","Singlet Fission in a Covalently Linked Cofacial Alkynyltetracene Dimer.","Journal of the American Chemical Society","2016","138","2","617","627","10.1021/jacs.5b10550","","","1.54178","CuKα","","0.0838","0.0695","","","0.1823","0.1966","","","","","","1.026","","","","has coordinates,has disorder","240455","2020-10-21","18:00:00",""
"4129803","20.5497","0.0014","13.1892","0.0009","14.0762","0.001","90","","130.172","0.0008","90","","2915.2","0.4","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","BETA","","","- C46 H26 -","- C46 H26 -","- C184 H104 -","4","0.5","","Korovina, Nadezhda V.; Das, Saptaparna; Nett, Zachary; Feng, Xintian; Joy, Jimmy; Haiges, Ralf; Krylov, Anna I.; Bradforth, Stephen E.; Thompson, Mark E.","Singlet Fission in a Covalently Linked Cofacial Alkynyltetracene Dimer.","Journal of the American Chemical Society","2016","138","2","617","627","10.1021/jacs.5b10550","","","0.71073","MoKα","","0.0504","0.0418","","","0.1236","0.1341","","","","","","1.006","","","","has coordinates","240456","2020-10-21","18:00:00",""
"4129804","14.654","0.003","7.559","0.002","31.389","0.005","90","","90","","90","","3476.9","1.3","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O S -","- C21 H18 N2 O S -","- C168 H144 N16 O8 S8 -","8","1","","Yoshida, Suguru; Yano, Takahisa; Misawa, Yoshihiro; Sugimura, Yasuyuki; Igawa, Kazunobu; Shimizu, Shigeomi; Tomooka, Katsuhiko; Hosoya, Takamitsu","Direct thioamination of arynes via reaction with sulfilimines and migratory N-arylation.","Journal of the American Chemical Society","2015","137","44","14071","14074","10.1021/jacs.5b10557","","","1.54187","CuKα","","0.0943","0.0458","","","0.0794","0.089","","","","","","1.003","","","","has coordinates","240457","2020-10-21","18:00:00",""
"4129805","6.0234","0.0008","25.185","0.004","10.5237","0.0014","90","","90.087","0.003","90","","1596.4","0.4","143","","143","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O S -","- C19 H17 N O S -","- C76 H68 N4 O4 S4 -","4","1","","Yoshida, Suguru; Yano, Takahisa; Misawa, Yoshihiro; Sugimura, Yasuyuki; Igawa, Kazunobu; Shimizu, Shigeomi; Tomooka, Katsuhiko; Hosoya, Takamitsu","Direct thioamination of arynes via reaction with sulfilimines and migratory N-arylation.","Journal of the American Chemical Society","2015","137","44","14071","14074","10.1021/jacs.5b10557","","","0.71075","MoKα","","","0.0659","","","","0.1624","","","","","","1.26","","","","has coordinates","240458","2020-10-21","18:00:00",""
"4129806","14.4735","0.0007","9.4794","0.0004","17.0411","0.0008","90","","98.528","0.007","90","","2312.19","0.19","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N O3 S -","- C28 H26 N O3 S -","- C112 H104 N4 O12 S4 -","4","1","","Yoshida, Suguru; Yano, Takahisa; Misawa, Yoshihiro; Sugimura, Yasuyuki; Igawa, Kazunobu; Shimizu, Shigeomi; Tomooka, Katsuhiko; Hosoya, Takamitsu","Direct thioamination of arynes via reaction with sulfilimines and migratory N-arylation.","Journal of the American Chemical Society","2015","137","44","14071","14074","10.1021/jacs.5b10557","","","1.54187","CuKα","","0.0794","0.0683","","","0.2043","0.2149","","","","","","1.001","","","","has coordinates","240459","2020-10-21","18:00:00",""
"4129807","10.7307","0.0009","14.8887","0.0013","15.7012","0.0011","91.371","0.003","90.174","0.003","95.164","0.004","2497.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Re(C6Et6)(CO)3][Al(OtBuF)4]","","","- C37 H30 Al F36 O7 Re -","- C37 H30 Al F36 O7 Re -","- C74 H60 Al2 F72 O14 Re2 -","2","1","","Yau, Hon Man; McKay, Alasdair I.; Hesse, Henrique; Xu, Ran; He, Mushi; Holt, Camille E.; Ball, Graham E.","Observation of Cationic Transition Metal-Alkane Complexes with Moderate Stability in Hydrofluorocarbon Solution.","Journal of the American Chemical Society","2016","138","1","281","288","10.1021/jacs.5b10583","","x-ray","0.71073","MoKα","","0.0814","0.0671","","","0.1704","0.1828","","","","","","1.038","","","","has coordinates,has disorder","240460","2020-10-21","18:00:00",""
"4129808","8.5241","0.0003","19.1667","0.0007","11.8169","0.0004","90","","93.125","0.004","90","","1927.76","0.12","149.93","0.18","149.93","0.18","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 F5 N Si -","- C19 H24 F5 N Si -","- C76 H96 F20 N4 Si4 -","4","1","","Cambeiro, Xacobe C.; Ahlsten, Nanna; Larrosa, Igor","Au-Catalyzed Cross-Coupling of Arenes via Double C-H Activation.","Journal of the American Chemical Society","2015","137","50","15636","15639","10.1021/jacs.5b10593","","","0.71073","MoKα","","0.0665","0.0481","","","0.0969","0.1071","","","","","","1.043","","","","has coordinates","240461","2020-10-21","18:00:00",""
"4129809","4.5914","0.0001","27.2463","0.0005","26.7574","0.0005","90","","90","","90","","3347.31","0.11","123","2","123","2","","","","","","","","6","C m c 21","C 2c -2","36","INT-3","","","- C6 I8 N2 O2 Pb3 S2 -","- C6 I8 N2 O2 Pb3 S2 -","- C24 I32 N8 O8 Pb12 S8 -","4","0.5","","Guo, Yunlong; Shoyama, Kazutaka; Sato, Wataru; Matsuo, Yutaka; Inoue, Kento; Harano, Koji; Liu, Chao; Tanaka, Hideyuki; Nakamura, Eiichi","Chemical Pathways Connecting Lead(II) Iodide and Perovskite via Polymeric Plumbate(II) Fiber.","Journal of the American Chemical Society","2015","137","50","15907","15914","10.1021/jacs.5b10599","","","1.54187","CuKα","","0.082","0.0639","","","0.16","0.1714","","","","","","1.15","","","","has coordinates","240462","2020-10-21","18:00:00",""
"4129810","17.7962","0.0011","4.5112","0.0003","11.1382","0.0006","90","","90","","90","","894.2","0.09","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","INT-2","","","- C2 H6 I2 O Pb S -","- C2 H6 I2 O Pb S -","- C8 H24 I8 O4 Pb4 S4 -","4","0.5","","Guo, Yunlong; Shoyama, Kazutaka; Sato, Wataru; Matsuo, Yutaka; Inoue, Kento; Harano, Koji; Liu, Chao; Tanaka, Hideyuki; Nakamura, Eiichi","Chemical Pathways Connecting Lead(II) Iodide and Perovskite via Polymeric Plumbate(II) Fiber.","Journal of the American Chemical Society","2015","137","50","15907","15914","10.1021/jacs.5b10599","","","1.54187","CuKα","","0.0833","0.0758","","","0.1716","0.1769","","","","","","1.202","","","","has coordinates,has disorder","240463","2020-10-21","18:00:00",""
"4129811","11.0774","0.0007","13.8442","0.0008","4.5169","0.0003","90","","90","","90","","692.7","0.08","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","INT-1","","","- C4 I2 O2 Pb S2 -","- C4 I2 O2 Pb S2 -","- C8 I4 O4 Pb2 S4 -","2","0.125","","Guo, Yunlong; Shoyama, Kazutaka; Sato, Wataru; Matsuo, Yutaka; Inoue, Kento; Harano, Koji; Liu, Chao; Tanaka, Hideyuki; Nakamura, Eiichi","Chemical Pathways Connecting Lead(II) Iodide and Perovskite via Polymeric Plumbate(II) Fiber.","Journal of the American Chemical Society","2015","137","50","15907","15914","10.1021/jacs.5b10599","","","1.54187","CuKα","","0.0484","0.047","","","0.1057","0.1079","","","","","","1.193","","","","has coordinates","240464","2020-10-21","18:00:00",""
"4129812","17.9494","0.0009","4.5326","0.0002","11.2165","0.0006","90","","90","","90","","912.55","0.08","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","INT-2","","","- C2 H6 I2 O Pb S -","- C2 H6 I2 O Pb S -","- C8 H24 I8 O4 Pb4 S4 -","4","0.5","","Guo, Yunlong; Shoyama, Kazutaka; Sato, Wataru; Matsuo, Yutaka; Inoue, Kento; Harano, Koji; Liu, Chao; Tanaka, Hideyuki; Nakamura, Eiichi","Chemical Pathways Connecting Lead(II) Iodide and Perovskite via Polymeric Plumbate(II) Fiber.","Journal of the American Chemical Society","2015","137","50","15907","15914","10.1021/jacs.5b10599","","","1.54187","CuKα","","0.0766","0.0646","","","0.136","0.1428","","","","","","1.187","","","","has coordinates","240465","2020-10-21","18:00:00",""
"4129813","4.6216","0.0007","27.455","0.004","26.933","0.004","90","","90","","90","","3417.4","0.9","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","INT-3","","","- C6 I8 N2 O2 Pb3 S2 -","- C6 I8 N2 O2 Pb3 S2 -","- C24 I32 N8 O8 Pb12 S8 -","4","0.5","","Guo, Yunlong; Shoyama, Kazutaka; Sato, Wataru; Matsuo, Yutaka; Inoue, Kento; Harano, Koji; Liu, Chao; Tanaka, Hideyuki; Nakamura, Eiichi","Chemical Pathways Connecting Lead(II) Iodide and Perovskite via Polymeric Plumbate(II) Fiber.","Journal of the American Chemical Society","2015","137","50","15907","15914","10.1021/jacs.5b10599","","","1.54187","CuKα","","0.2054","0.065","","","0.103","0.1278","","","","","","0.713","","","","has coordinates","240466","2020-10-21","18:00:00",""
"4129814","16.9362","0.0005","11.0662","0.0003","31.4144","0.0009","90","","97.226","0.001","90","","5840.9","0.3","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C4.55 H7.09 Cl0.36 F1.27 N0 P0.18 Sb0.18 -","- C4.54545 H7.09091 Cl0.363636 F1.27273 P0.181818 Sb0.181818 -","- C200 H312 Cl16 F56 P8 Sb8 -","44","11","","Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean","Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2016","138","2","587","593","10.1021/jacs.5b10720","","","0.71073","MoKα","","0.0628","0.0463","","","0.0988","0.1064","","","","","","1.061","","","","has coordinates","240467","2020-10-21","18:00:00",""
"4129815","8.7273","0.0004","24.577","0.0011","13.4107","0.0006","90","","104.117","0.002","90","","2789.6","0.2","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","KH-907","toste112","","- C30 H19 Au Cl F6 P -","- C30 H19 Au Cl F6 P -","- C120 H76 Au4 Cl4 F24 P4 -","4","1","","Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean","Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2016","138","2","587","593","10.1021/jacs.5b10720","","","0.71073","MoKα","","0.1205","0.0487","","","0.0746","0.0925","","","","","","1.025","","","","has coordinates,has disorder","240468","2020-10-21","18:00:00",""
"4129816","8.1704","0.0018","11.455","0.002","17.998","0.004","76.179","0.004","85.607","0.004","79.817","0.004","1608.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","KH-1450","toste127","","- C73 H50 Au2 Cl4 F10 O4 P2 -","- C73 H50 Au2 Cl4 F10 O4 P2 -","- C73 H50 Au2 Cl4 F10 O4 P2 -","1","0.5","","Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean","Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2016","138","2","587","593","10.1021/jacs.5b10720","","","0.71073","MoKα","","0.0212","0.018","","","0.0384","0.0405","","","","","","1.085","","","","has coordinates,has disorder","240469","2020-10-21","18:00:00",""
"4129817","9.1432","0.0005","12.2321","0.0007","17.9451","0.001","104.66","0.003","103.941","0.003","95.085","0.003","1860.38","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","KH-1502","toste133","","- C38 H28 Au Cl5 F5 O2 P -","- C38 H28 Au Cl5 F5 O2 P -","- C76 H56 Au2 Cl10 F10 O4 P2 -","2","1","","Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean","Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2016","138","2","587","593","10.1021/jacs.5b10720","","","0.71073","MoKα","","0.0569","0.0458","","","0.1109","0.1211","","","","","","1.071","","","","has coordinates,has disorder","240470","2020-10-21","18:00:00",""
"4129818","8.6367","0.0006","11.9128","0.0008","12.4392","0.0008","103.096","0.001","91.766","0.002","103.918","0.001","1205.01","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","KH-1484","toste130","","- C30 H26 Cl O3 P -","- C30 H26 Cl O3 P -","- C60 H52 Cl2 O6 P2 -","2","1","","Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean","Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2016","138","2","587","593","10.1021/jacs.5b10720","","","0.71073","MoKα","","0.0791","0.0486","","","0.0859","0.0984","","","","","","1.058","","","","has coordinates,has disorder","240471","2020-10-21","18:00:00",""
"4129819","10.2613","0.0004","16.3734","0.0007","19.8407","0.0008","90","","97.3","0.002","90","","3306.5","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 Au Cl F7 N P Sb -","- C29 H42 Au Cl F7 N P Sb -","- C116 H168 Au4 Cl4 F28 N4 P4 Sb4 -","4","1","","Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean","Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2016","138","2","587","593","10.1021/jacs.5b10720","","","0.71073","MoKα","","0.0185","0.0155","","","0.0331","0.0341","","","","","","1.048","","","","has coordinates","240472","2020-10-21","18:00:00",""
"4129820","8.423","0.0003","27.385","0.0008","12.2756","0.0004","90","","91.736","0.002","90","","2830.24","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","KH-1250","toste123","","- C30 H24 Au Cl4 O2 P -","- C30 H24 Au Cl4 O2 P -","- C120 H96 Au4 Cl16 O8 P4 -","4","1","","Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean","Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2016","138","2","587","593","10.1021/jacs.5b10720","","","0.71073","MoKα","","0.0233","0.0204","","","0.0384","0.0389","","","","","","1.176","","","","has coordinates","240473","2020-10-21","18:00:00",""
"4129821","6.6497","0.0008","31.023","0.005","10.1247","0.0012","90","","95.124","0.008","90","","2080.3","0.5","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 F4 I2 N2 -","- C18 H18 F4 I2 N2 -","- C72 H72 F16 I8 N8 -","4","1","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0448","0.0276","","","0.0592","0.0668","","","","","","1.014","","","","has coordinates,has disorder","240474","2020-10-21","18:00:00",""
"4129822","6.5893","0.0007","20.2195","0.0019","7.9262","0.0008","90","","102.405","0.005","90","","1031.37","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 F6 I2 N2 -","- C18 H16 F6 I2 N2 -","- C36 H32 F12 I4 N4 -","2","0.5","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0566","0.0548","","","0.1336","0.1343","","","","","","1.54","","","","has coordinates,has disorder","240475","2020-10-21","18:00:00",""
"4129823","10.772","0.001","9.7608","0.0008","13.4616","0.0012","90","","99.003","0.006","90","","1398","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 F2 I N2 -","- C12 H15 F2 I N2 -","- C48 H60 F8 I4 N8 -","4","1","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0405","0.0236","","","0.0528","0.0614","","","","","","1.012","","","","has coordinates,has disorder","240476","2020-10-21","18:00:00",""
"4129824","8.057","0.0003","21.129","0.0007","13.0753","0.0005","90","","99.567","0.002","90","","2194.93","0.14","200","2","200","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C72 H48 F40 I8 N8 -","4","2","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0544","0.0328","","","0.0564","0.0621","","","","","","1.016","","","","has coordinates,has disorder","240477","2020-10-21","18:00:00",""
"4129825","7.9438","0.0006","20.923","0.002","13.0731","0.0012","90","","99.508","0.006","90","","2143","0.3","103","2","103","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C72 H48 F40 I8 N8 -","4","2","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0242","0.0201","","","0.0359","0.0369","","","","","","1.019","","","","has coordinates","240478","2020-10-21","18:00:00",""
"4129826","8.1831","0.0002","10.6901","0.0003","13.1218","0.0003","90","","99.968","0.001","90","","1130.54","0.05","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C36 H24 F20 I4 N4 -","2","0.5","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0319","0.0183","","","0.0393","0.0441","","","","","","1.036","","","","has coordinates,has disorder","240479","2020-10-21","18:00:00",""
"4129827","8.1324","0.0003","10.6494","0.0004","13.0939","0.0005","90","","99.702","0.002","90","","1117.78","0.07","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C36 H24 F20 I4 N4 -","2","0.5","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0405","0.0216","","","0.0374","0.0421","","","","","","1.007","","","","has coordinates,has disorder","240480","2020-10-21","18:00:00",""
"4129828","6.6529","0.0006","20.388","0.002","8.0414","0.0008","90","","102.832","0.004","90","","1063.49","0.18","296","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 F6 I2 N2 -","- C18 H16 F6 I2 N2 -","- C36 H32 F12 I4 N4 -","2","0.5","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0533","0.0265","","","0.0571","0.0657","","","","","","1.005","","","","has coordinates,has disorder","240481","2020-10-21","18:00:00",""
"4129829","10.7352","0.0009","9.6627","0.0006","13.397","0.0012","90","","99.145","0.01","90","","1372.02","0.19","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 F2 I N2 -","- C12 H15 F2 I N2 -","- C48 H60 F8 I4 N8 -","4","1","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0689","0.034","","","0.0728","0.087","","","","","","0.992","","","","has coordinates","240482","2020-10-21","18:00:00",""
"4129830","8.547","0.002","9.334","0.002","25.142","0.006","90","","94.81","0.02","90","","1998.7","0.8","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 F2 I2 N2 -","- C18 H20 F2 I2 N2 -","- C72 H80 F8 I8 N8 -","4","0.5","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0519","0.0398","","","0.1022","0.1086","","","","","","1.081","","","","has coordinates,has disorder","240483","2020-10-21","18:00:00",""
"4129831","8.0353","0.0004","21.0755","0.0009","13.084","0.0006","90","","99.573","0.002","90","","2184.89","0.18","143","2","143","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C72 H48 F40 I8 N8 -","4","2","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0402","0.0309","","","0.0615","0.065","","","","","","1.02","","","","has coordinates","240484","2020-10-21","18:00:00",""
"4129832","8.0881","0.0003","21.1918","0.0008","13.0834","0.0005","90","","99.594","0.002","90","","2211.15","0.14","220","2","220","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C72 H48 F40 I8 N8 -","4","2","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.1076","0.0372","","","0.0594","0.0729","","","","","","0.996","","","","has coordinates,has disorder","240485","2020-10-21","18:00:00",""
"4129833","6.6183","0.001","30.067","0.005","10.0093","0.0016","90","","93.56","0.02","90","","1987.9","0.5","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 F4 I2 N2 -","- C18 H18 F4 I2 N2 -","- C72 H72 F16 I8 N8 -","4","1","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0329","0.0278","","","0.0548","0.0563","","","","","","1.187","","","","has coordinates","240486","2020-10-21","18:00:00",""
"4129834","7.9746","0.0004","20.9827","0.0009","13.0699","0.0006","90","","99.556","0.001","90","","2156.62","0.17","143","2","143","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C72 H48 F40 I8 N8 -","4","2","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0311","0.0259","","","0.0439","0.0454","","","","","","1.01","","","","has coordinates","240487","2020-10-21","18:00:00",""
"4129835","10.7007","0.0006","9.4853","0.0005","13.2984","0.0008","90","","99.438","0.004","90","","1331.51","0.13","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 F2 I N2 -","- C12 H15 F2 I N2 -","- C48 H60 F8 I4 N8 -","4","1","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0454","0.0271","","","0.0522","0.0581","","","","","","1.006","","","","has coordinates","240488","2020-10-21","18:00:00",""
"4129836","6.6438","0.0008","30.796","0.004","10.1083","0.0012","90","","93.656","0.009","90","","2064","0.4","253","2","253","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 F4 I2 N2 -","- C18 H18 F4 I2 N2 -","- C72 H72 F16 I8 N8 -","4","1","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0389","0.0301","","","0.0731","0.0776","","","","","","1.049","","","","has coordinates","240489","2020-10-21","18:00:00",""
"4129837","37.166","0.005","37.166","0.005","30.111","0.006","90","","90","","120","","36020","10","293.15","","293.15","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C54 H30 O13 Zn4 -","- C39.987 H18.237 O9.9922 Zn2.9974 -","- C319.896 H145.896 O79.9376 Zn23.9792 -","8","0.666667","","Feng, Yongqiang; Wang, Taishan; Li, Yongjian; Li, Jie; Wu, Jingyi; Wu, Bo; Jiang, Li; Wang, Chunru","Steering Metallofullerene Electron Spin in Porous Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","47","15055","15060","10.1021/jacs.5b10796","","","0.71073","MoKα","","0.1512","0.1282","","","0.3091","0.3226","","","","","","1.641","","","","has coordinates,has disorder","240490","2020-10-21","18:00:00",""
"4129838","26.5211","0.0007","26.5211","0.0007","39.0679","0.0016","90","","90","","90","","27479.1","1.5","128.9","0.3","128.9","0.3","","","","","","","","5","I 4/m","-I 4","87","","","","- C407 H569 Cu24 N50 O201 -","- C224 H200 Cu24 N8 O144 -","- C448 H400 Cu48 N16 O288 -","2","0.125","","Niu, Zheng; Fang, Sheng; Liu, Xiao; Ma, Jian-Gong; Ma, Shengqian; Cheng, Peng","Coordination-Driven Polymerization of Supramolecular Nanocages.","Journal of the American Chemical Society","2015","137","47","14873","14876","10.1021/jacs.5b10815","","","0.71073","MoKα","","0.0966","0.0671","","","0.1853","0.1991","","","","","","0.944","","","","has coordinates","240491","2020-10-21","18:00:00",""
"4129839","24.4095","0.0011","24.6581","0.0015","25.0195","0.0015","64.384","0.006","61.76","0.006","87.652","0.004","11706.2","1.6","127.9","0.6","127.9","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C320 H582 Cu24 O231.5 S16.5 -","- C201 H150 Cu24 O140 S4.5 -","- C201 H150 Cu24 O140 S4.5 -","1","0.5","","Niu, Zheng; Fang, Sheng; Liu, Xiao; Ma, Jian-Gong; Ma, Shengqian; Cheng, Peng","Coordination-Driven Polymerization of Supramolecular Nanocages.","Journal of the American Chemical Society","2015","137","47","14873","14876","10.1021/jacs.5b10815","","","0.71073","MoKα","","0.1426","0.0867","","","0.2298","0.2581","","","","","","0.925","","","","has coordinates,has disorder","240492","2020-10-21","18:00:00",""
"4129840","22.9056","0.0006","24.2276","0.0005","24.8145","0.0006","61.777","0.002","63.599","0.003","77.407","0.002","10867.6","0.6","123.6","0.5","123.6","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C281 H434 Cu24 O212 S10 -","- C200 H142 Cu24 O138 S3 -","- C200 H142 Cu24 O138 S3 -","1","0.5","","Niu, Zheng; Fang, Sheng; Liu, Xiao; Ma, Jian-Gong; Ma, Shengqian; Cheng, Peng","Coordination-Driven Polymerization of Supramolecular Nanocages.","Journal of the American Chemical Society","2015","137","47","14873","14876","10.1021/jacs.5b10815","","","0.71073","MoKα","","0.1114","0.0693","","","0.1686","0.1855","","","","","","0.95","","","","has coordinates,has disorder","240493","2020-10-21","18:00:00",""
"4129841","6.52","0.004","18.36","0.01","12.283","0.007","90","","99.174","0.01","90","","1451.6","1.5","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H37 Cl N2 O3 Si -","- C28 H37 Cl N2 O3 Si -","- C56 H74 Cl2 N4 O6 Si2 -","2","1","","Cheng, Qing-Qing; Yedoyan, Julietta; Arman, Hadi; Doyle, Michael P.","Copper-Catalyzed Divergent Addition Reactions of Enoldiazoacetamides with Nitrones.","Journal of the American Chemical Society","2016","138","1","44","47","10.1021/jacs.5b10860","","","0.71075","MoKα","","0.0925","0.0782","","","0.1385","0.1474","","","","","","1.036","","","","has coordinates","240494","2020-10-21","18:00:00",""
"4129842","14.6558","0.0002","13.8575","0.0003","22.2655","0.0004","90","","95.266","0.001","90","","4502.88","0.14","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 B3 Br3 F3 O3 -","- C21 H15 B3 Br3 F3 O3 -","- C168 H120 B24 Br24 F24 O24 -","8","1","","Axthelm, Jörg; Görls, Helmar; Schubert, Ulrich S.; Schiller, Alexander","Fluorinated Boronic Acid-Appended Bipyridinium Salts for Diol Recognition and Discrimination via (19)F NMR Barcodes.","Journal of the American Chemical Society","2015","137","49","15402","15405","10.1021/jacs.5b10934","","","0.71073","MoKα","","0.0346","0.0282","","","0.0612","0.0644","","","","","","1.079","","","","has coordinates","240495","2020-10-21","18:00:00",""
"4129843","8.1548","0.0003","9.0537","0.0002","10.7095","0.0003","89.663","0.002","89.756","0.001","72.525","0.002","754.19","0.04","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H34 B2 Br2 F2 N2 O6 -","- C28 H34 B2 Br2 F2 N2 O6 -","- C28 H34 B2 Br2 F2 N2 O6 -","1","0.5","","Axthelm, Jörg; Görls, Helmar; Schubert, Ulrich S.; Schiller, Alexander","Fluorinated Boronic Acid-Appended Bipyridinium Salts for Diol Recognition and Discrimination via (19)F NMR Barcodes.","Journal of the American Chemical Society","2015","137","49","15402","15405","10.1021/jacs.5b10934","","","0.71073","MoKα","","0.0266","0.0247","","","0.0583","0.0602","","","","","","1.061","","","","has coordinates","240495","2020-10-21","18:00:00",""
"4129844","8.376","0.004","12.224","0.006","21.474","0.01","86.431","0.008","89.627","0.008","71.394","0.007","2079.5","1.7","130","2","130","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H28 F3 N O3 S -","- C19 H28 F3 N O3 S -","- C76 H112 F12 N4 O12 S4 -","4","2","","Chen, Chaohuang; Chen, Pinhong; Liu, Guosheng","Palladium-Catalyzed Intramolecular Aminotrifluoromethoxylation of Alkenes.","Journal of the American Chemical Society","2015","137","50","15648","15651","10.1021/jacs.5b10971","","","0.71073","MoKα","","0.149","0.0605","","","0.1005","0.1223","","","","","","0.885","","","","has coordinates","240496","2020-10-21","18:00:00",""
"4129845","9.1462","0.0011","9.9402","0.0012","13.454","0.0017","76.519","0.002","77.21","0.002","78.063","0.002","1144.3","0.2","130","","130","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H20 Cl F3 N2 O Pd -","- C21 H20 Cl F3 N2 O Pd -","- C42 H40 Cl2 F6 N4 O2 Pd2 -","2","1","","Chen, Chaohuang; Chen, Pinhong; Liu, Guosheng","Palladium-Catalyzed Intramolecular Aminotrifluoromethoxylation of Alkenes.","Journal of the American Chemical Society","2015","137","50","15648","15651","10.1021/jacs.5b10971","","","0.71073","MoKα","","0.056","0.0401","","","0.084","0.0893","","","","","","0.956","","","","has coordinates","240497","2020-10-21","18:00:00",""
"4129846","9.9716","0.0014","25.875","0.003","9.5523","0.0013","90","","102.985","0.003","90","","2401.6","0.5","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 F3 N O3 S -","- C25 H24 F3 N O3 S -","- C100 H96 F12 N4 O12 S4 -","4","1","","Chen, Chaohuang; Chen, Pinhong; Liu, Guosheng","Palladium-Catalyzed Intramolecular Aminotrifluoromethoxylation of Alkenes.","Journal of the American Chemical Society","2015","137","50","15648","15651","10.1021/jacs.5b10971","","","0.71073","MoKα","","0.167","0.0831","","","0.2229","0.2876","","","","","","1.023","","","","has coordinates","240498","2020-10-21","18:00:00",""
"4129847","11.4134","0.0004","6.2066","0.0002","11.8551","0.0004","90","","103.613","0.002","90","","816.2","0.05","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C34 H46 N2 O8 -","2","1","","Tallmadge, Evan H.; Jermaks, Janis; Collum, David B.","Structure-Reactivity Relationships in Lithiated Evans Enolates: Influence of Aggregation and Solvation on the Stereochemistry and Mechanism of Aldol Additions.","Journal of the American Chemical Society","2016","138","1","345","355","10.1021/jacs.5b10980","","","0.71073","MoKα","","0.0466","0.0379","","","0.0941","0.1012","","","","","","1.002","","","","has coordinates","240499","2020-10-21","18:00:00",""
"4129848","5.7701","0.0006","13.3976","0.0012","22.752","0.002","90","","90","","90","","1758.9","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Tallmadge, Evan H.; Jermaks, Janis; Collum, David B.","Structure-Reactivity Relationships in Lithiated Evans Enolates: Influence of Aggregation and Solvation on the Stereochemistry and Mechanism of Aldol Additions.","Journal of the American Chemical Society","2016","138","1","345","355","10.1021/jacs.5b10980","","","0.71073","MoKα","","0.0812","0.0356","","","0.0662","0.0808","","","","","","1.06","","","","has coordinates","240500","2020-10-21","18:00:00",""
"4129849","17.784","0.004","17.784","0.004","53.14","0.005","90","","90","","120","","14555","5","223","2","223","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C6 H N0.33 O3.5 Zn0.58 -","- C5.98333 H N0.333333 O3.5 Zn0.583333 -","- C215.4 H36 N12 O126 Zn21 -","36","1","","Zhang, Zhenjie; Nguyen, Ha Thi Hoang; Miller, Stephen A.; Ploskonka, Ann M.; DeCoste, Jared B.; Cohen, Seth M.","Polymer-Metal-Organic Frameworks (polyMOFs) as Water Tolerant Materials for Selective Carbon Dioxide Separations.","Journal of the American Chemical Society","2016","138","3","920","925","10.1021/jacs.5b11034","","","0.71073","MoKα","","0.1217","0.0983","","","0.2571","0.2754","","","","","","1.425","","","","has coordinates","240501","2020-10-21","18:00:00",""
"4129850","4.69994","0.00014","9.6731","0.0003","21.1552","0.0006","90","","95.859","0.007","90","","956.75","0.05","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 F3 N2 O -","- C10 H9 F3 N2 O -","- C40 H36 F12 N8 O4 -","4","1","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.0442","0.042","","","0.1115","0.1131","","","","","","1.159","","","","has coordinates","240502","2020-10-21","18:00:00",""
"4129851","5.36319","0.00014","20.335","0.0005","9.7083","0.0003","90","","91.135","0.006","90","","1058.58","0.05","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 F4 N3 O3 -","- C22 H23 F4 N3 O3 -","- C44 H46 F8 N6 O6 -","2","1","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.0504","0.0412","","","0.1008","0.1191","","","","","","1.174","","","","has coordinates","240503","2020-10-21","18:00:00",""
"4129852","7.0914","0.0003","26.393","0.0006","8.8755","0.0003","90","","107.452","0.008","90","","1584.7","0.12","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 F N2 O -","- C9 H9 F N2 O -","- C72 H72 F8 N16 O8 -","8","2","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.0718","0.0489","","","0.0966","0.1018","","","","","","0.877","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4129853","4.9505","0.00011","9.1116","0.0002","22.1601","0.0005","90","","90","","90","","999.58","0.04","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 F4 N2 O -","- C10 H8 F4 N2 O -","- C40 H32 F16 N8 O4 -","4","1","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.064","0.0509","","","0.0979","0.1027","","","","","","0.968","","","","has coordinates","240505","2020-10-21","18:00:00",""
"4129854","18.2815","0.0003","18.3875","0.0003","33.1185","0.0006","90","","96.477","0.007","90","","11061.8","0.4","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59.88 H52.33 Cu F9 N2 O2.38 P3 -","- C59.882 H52.329 Cu F9 N2 O2.382 P3 -","- C479.056 H418.632 Cu8 F72 N16 O19.056 P24 -","8","2","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.0988","0.0747","","","0.2173","0.2349","","","","","","1.074","","","","has coordinates","240506","2020-10-21","18:00:00",""
"4129855","10.1405","0.00018","11.5825","0.0002","18.6098","0.0004","90","","90","","90","","2185.76","0.07","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 F3 N3 O3 -","- C22 H24 F3 N3 O3 -","- C88 H96 F12 N12 O12 -","4","1","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","","0.028","","","","0.0597","","","","","","1.051","","","","has coordinates","240507","2020-10-21","18:00:00",""
"4129856","26.8498","0.0013","4.9574","0.0002","17.6053","0.0009","90","","121.882","0.009","90","","1989.8","0.3","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 F4 N2 O -","- C10 H8 F4 N2 O -","- C80 H64 F32 N16 O8 -","8","1","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.0869","0.071","","","0.1748","0.186","","","","","","1.042","","","","has coordinates","240508","2020-10-21","18:00:00",""
"4129857","11.4578","","11.6088","","18.7145","","90","","90","","90","","2489.24","","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 F5 N3 O3 -","- C23 H24 F5 N3 O3 -","- C92 H96 F20 N12 O12 -","4","1","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.0696","0.0549","","","0.1607","0.1742","","","","","","1.03","","","","has coordinates","240509","2020-10-21","18:00:00",""
"4129858","7.5087","0.0002","19.9025","0.0006","11.5097","0.0005","90","","93.255","0.003","90","","1717.26","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C78 H90 N6 O12 -","6","3","","Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin","Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones.","Journal of the American Chemical Society","2016","138","1","369","374","10.1021/jacs.5b11120","","","1.54184","CuKα","","0.0318","0.0308","","","0.0791","0.0801","","","","","","1.047","","","","has coordinates","240510","2020-10-21","18:00:00",""
"4129859","8.3112","0.0015","7.2566","0.0013","8.9068","0.0017","90","","95.146","0.002","90","","535.01","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C24 H26 N2 O6 -","2","1","","Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin","Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones.","Journal of the American Chemical Society","2016","138","1","369","374","10.1021/jacs.5b11120","","","1.54184","CuKα","","0.0236","0.0236","","","0.0632","0.0633","","","","","","1.064","","","","has coordinates","240511","2020-10-21","18:00:00",""
"4129860","9.6015","0.0003","14.9637","0.0005","8.9947","0.0003","90","","104.171","0.003","90","","1252.98","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin","Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones.","Journal of the American Chemical Society","2016","138","1","369","374","10.1021/jacs.5b11120","","","1.54184","CuKα","","0.0632","0.052","","","0.2109","0.2144","","","","","","1.087","","","","has coordinates","240512","2020-10-21","18:00:00",""
"4129861","8.7567","0.0012","7.246","0.001","9.0118","0.0014","90","","96.915","0.007","90","","567.65","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Cl N O3 -","- C12 H12 Cl N O3 -","- C24 H24 Cl2 N2 O6 -","2","1","","Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin","Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones.","Journal of the American Chemical Society","2016","138","1","369","374","10.1021/jacs.5b11120","","","1.54184","CuKα","","0.0209","0.0207","","","0.0547","0.055","","","","","","1.063","","","","has coordinates","240513","2020-10-21","18:00:00",""
"4129862","8.2495","0.0003","12.0484","0.0003","14.9606","0.0007","90","","90","","90","","1486.98","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O2.2 -","- C19 H18.83 N O2.17 -","- C76 H75.32 N4 O8.68 -","4","1","","Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin","Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones.","Journal of the American Chemical Society","2016","138","1","369","374","10.1021/jacs.5b11120","","","1.54184","CuKα","","0.0434","0.041","","","0.103","0.1049","","","","","","1.05","","","","has coordinates","240514","2020-10-21","18:00:00",""
"4129863","10.5923","0.0006","11.5633","0.0006","12.5018","0.0007","90","","98.1413","0.0007","90","","1515.81","0.14","203","2","203","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 O3 -","- C17 H26 O3 -","- C68 H104 O12 -","4","1","","George, David T.; Kuenstner, Eric J.; Pronin, Sergey V.","A Concise Approach to Paxilline Indole Diterpenes.","Journal of the American Chemical Society","2015","137","49","15410","15413","10.1021/jacs.5b11129","","","0.71073","MoKα","","0.0632","0.0424","","","0.1065","0.1193","","","","","","1.037","","","","has coordinates","240515","2020-10-21","18:00:00",""
"4129864","10.0498","0.0004","12.6817","0.0005","30.279","0.0013","90","","90","","90","","3859","0.3","88","2","88","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H32 O3 -","- C24 H32 O3 -","- C192 H256 O24 -","8","1","","George, David T.; Kuenstner, Eric J.; Pronin, Sergey V.","A Concise Approach to Paxilline Indole Diterpenes.","Journal of the American Chemical Society","2015","137","49","15410","15413","10.1021/jacs.5b11129","","","0.71073","MoKα","","0.0401","0.0372","","","0.0985","0.1013","","","","","","1.021","","","","has coordinates","240516","2020-10-21","18:00:00",""
"4129865","25.3688","0.0007","25.3688","0.0007","25.3688","0.0007","90","","90","","90","","16326.8","0.8","100","2","100","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C24 H12 O23.81 Zn4 -","- C24 H12 O21.945 Zn4 -","- C192 H96 O175.56 Zn32 -","8","0.666667","","Zhang, Shi-Yuan; Li, Dan; Guo, Dong; Zhang, Hui; Shi, Wei; Cheng, Peng; Wojtas, Lukasz; Zaworotko, Michael J.","Synthesis of a Chiral Crystal Form of MOF-5, CMOF-5, by Chiral Induction.","Journal of the American Chemical Society","2015","137","49","15406","15409","10.1021/jacs.5b11150","","","1.54178","CuKα","","0.1159","0.0956","","","0.2501","0.2728","","","","","","1.083","","","","has coordinates,has disorder","240517","2020-10-21","18:00:00",""
"4129866","7.4531","0.0001","13.908","0.0002","12.7717","0.0002","90","","103.22","0.001","90","","1288.8","0.03","228","2","228","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O5 Zn -","- C13 H13 N O5 Zn -","- C52 H52 N4 O20 Zn4 -","4","1","","Zhang, Shi-Yuan; Li, Dan; Guo, Dong; Zhang, Hui; Shi, Wei; Cheng, Peng; Wojtas, Lukasz; Zaworotko, Michael J.","Synthesis of a Chiral Crystal Form of MOF-5, CMOF-5, by Chiral Induction.","Journal of the American Chemical Society","2015","137","49","15406","15409","10.1021/jacs.5b11150","","","1.54178","CuKα","","0.0347","0.0281","","","0.0696","0.0727","","","","","","1.095","","","","has coordinates","240518","2020-10-21","18:00:00",""
"4129867","6.2435","0.0002","8.0069","0.0002","18.0851","0.0004","90","","92.9155","0.0019","90","","902.92","0.04","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H32 O5 -","- C18 H30 O5 -","- C36 H60 O10 -","2","1","","Lin, Luqing; Yamamoto, Kumiko; Mitsunuma, Harunobu; Kanzaki, Yamato; Matsunaga, Shigeki; Kanai, Motomu","Catalytic Asymmetric Iterative/Domino Aldehyde Cross-Aldol Reactions for the Rapid and Flexible Synthesis of 1,3-Polyols.","Journal of the American Chemical Society","2015","137","49","15418","15421","10.1021/jacs.5b11192","","","1.54187","CuKα","","0.0597","0.043","","","0.1155","0.1536","","","","","","1.177","","","","has coordinates","240519","2020-10-21","18:00:00",""
"4129868","8.2912","0.0002","6.8967","0.0002","12.5196","0.0003","90","","91.6756","0.0017","90","","715.59","0.03","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","1","","Lin, Luqing; Yamamoto, Kumiko; Mitsunuma, Harunobu; Kanzaki, Yamato; Matsunaga, Shigeki; Kanai, Motomu","Catalytic Asymmetric Iterative/Domino Aldehyde Cross-Aldol Reactions for the Rapid and Flexible Synthesis of 1,3-Polyols.","Journal of the American Chemical Society","2015","137","49","15418","15421","10.1021/jacs.5b11192","","","1.54187","CuKα","","0.0555","0.0356","","","0.0727","0.0903","","","","","","1.116","","","","has coordinates","240520","2020-10-21","18:00:00",""
"4129869","5.7254","0.0002","12.2541","0.0005","14.7412","0.0006","81.7527","0.0017","78.9285","0.0017","84.6889","0.0015","1002.24","0.07","150","","150","","","","101","","","","","3","P -1","-P 1","2","","","","- C24 H32 O -","- C24 H32 O -","- C48 H64 O2 -","2","1","","Frost, James R.; Cheong, Choon Boon; Akhtar, Wasim M.; Caputo, Dimitri F. J.; Stevenson, Neil G.; Donohoe, Timothy J.","Strategic Application and Transformation of ortho-Disubstituted Phenyl and Cyclopropyl Ketones To Expand the Scope of Hydrogen Borrowing Catalysis.","Journal of the American Chemical Society","2015","137","50","15664","15667","10.1021/jacs.5b11196","","","0.71073","MoKα","","0.0753","0.0542","","0.1449","0.1282","0.1449","","","","","","0.9431","","","","has coordinates","240521","2020-10-21","18:00:00",""
"4129870","8.7546","0.0002","16.0425","0.0005","12.9888","0.0004","90","","98.1734","0.0013","90","","1805.69","0.09","150","","150","","","","101","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O -","- C22 H24 O -","- C88 H96 O4 -","4","1","","Frost, James R.; Cheong, Choon Boon; Akhtar, Wasim M.; Caputo, Dimitri F. J.; Stevenson, Neil G.; Donohoe, Timothy J.","Strategic Application and Transformation of ortho-Disubstituted Phenyl and Cyclopropyl Ketones To Expand the Scope of Hydrogen Borrowing Catalysis.","Journal of the American Chemical Society","2015","137","50","15664","15667","10.1021/jacs.5b11196","","","0.71073","MoKα","","0.0627","0.0498","","0.1364","0.1239","0.1362","","","","","","1.0155","","","","has coordinates","240521","2020-10-21","18:00:00",""
"4129871","13.2483","0.0007","14.6134","0.001","18.08","0.0018","93.09","0.03","104.28","0.04","116.22","0.02","2989.3","1.1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H77 N5 O1.5 Zn -","- C69 H77 N5 O1.5 Zn -","- C138 H154 N10 O3 Zn2 -","2","1","","Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Kim, Dongho; Osuka, Atsuhiro","Triarylporphyrin meso-Oxy Radicals: Remarkable Chemical Stabilities and Oxidation to Oxophlorin π-Cations.","Journal of the American Chemical Society","2015","137","49","15584","15594","10.1021/jacs.5b11223","","","1.54187","CuKα","","0.1104","0.0842","","","0.2219","0.2458","","","","","","1.033","","","","has coordinates,has disorder","240522","2020-10-21","18:00:00",""
"4129872","11.665","0.002","15.633","0.003","15.927","0.004","104.962","0.007","91.926","0.009","95.774","0.005","2786.4","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H73 Cl2 N4 O -","- C63 H75 Cl2 N4 O -","- C126 H150 Cl4 N8 O2 -","2","1","","Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Kim, Dongho; Osuka, Atsuhiro","Triarylporphyrin meso-Oxy Radicals: Remarkable Chemical Stabilities and Oxidation to Oxophlorin π-Cations.","Journal of the American Chemical Society","2015","137","49","15584","15594","10.1021/jacs.5b11223","","","1.54187","CuKα","","0.1038","0.0906","","","0.263","0.2763","","","","","","1.01","","","","has coordinates","240523","2020-10-21","18:00:00",""
"4129873","11.8998","0.0018","16.0028","0.0005","16.081","0.0006","64.42","0.03","80.99","0.03","70.34","0.02","2600.9","0.8","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H71 N4 Ni O -","- C62 H71 N4 Ni O -","- C124 H142 N8 Ni2 O2 -","2","1","","Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Kim, Dongho; Osuka, Atsuhiro","Triarylporphyrin meso-Oxy Radicals: Remarkable Chemical Stabilities and Oxidation to Oxophlorin π-Cations.","Journal of the American Chemical Society","2015","137","49","15584","15594","10.1021/jacs.5b11223","","","1.54187","CuKα","","0.0493","0.0409","","","0.1098","0.1171","","","","","","1.013","","","","has coordinates,has disorder","240524","2020-10-21","18:00:00",""
"4129874","9.011","0.006","15.824","0.008","20.375","0.008","70.31","0.04","86.42","0.05","87.73","0.05","2730","3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H76 N4 Ni O2 -","- C63 H76 N4 Ni O2 -","- C126 H152 N8 Ni2 O4 -","2","1","","Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Kim, Dongho; Osuka, Atsuhiro","Triarylporphyrin meso-Oxy Radicals: Remarkable Chemical Stabilities and Oxidation to Oxophlorin π-Cations.","Journal of the American Chemical Society","2015","137","49","15584","15594","10.1021/jacs.5b11223","","","1.54187","CuKα","","0.1683","0.0984","","","0.2466","0.3013","","","","","","1.04","","","","has coordinates","240525","2020-10-21","18:00:00",""
"4129875","12.5135","0.0016","13.64","0.0011","18.3923","0.0015","110.787","0.009","99.471","0.014","95.73","0.02","2852","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H79 N4 O2 Zn -","- C66 H79 N4 O2 Zn -","- C132 H158 N8 O4 Zn2 -","2","1","","Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Kim, Dongho; Osuka, Atsuhiro","Triarylporphyrin meso-Oxy Radicals: Remarkable Chemical Stabilities and Oxidation to Oxophlorin π-Cations.","Journal of the American Chemical Society","2015","137","49","15584","15594","10.1021/jacs.5b11223","","","1.54187","CuKα","","0.0554","0.0453","","","0.117","0.121","","","","","","1.026","","","","has coordinates,has disorder","240526","2020-10-21","18:00:00",""
"4129876","10.13","0.002","16.127","0.004","20.15","0.008","92.98","0.04","97.03","0.06","105.76","0.03","3131.7","1.7","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C62.2 H71.4 Cl6.4 N4 Ni O Sb -","- C62.2 H71.4 Cl6.4 N4 Ni O Sb -","- C124.4 H142.8 Cl12.8 N8 Ni2 O2 Sb2 -","2","1","","Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Kim, Dongho; Osuka, Atsuhiro","Triarylporphyrin meso-Oxy Radicals: Remarkable Chemical Stabilities and Oxidation to Oxophlorin π-Cations.","Journal of the American Chemical Society","2015","137","49","15584","15594","10.1021/jacs.5b11223","","","1.54187","CuKα","","0.1035","0.057","","","0.1277","0.1506","","","","","","1.003","","","","has coordinates,has disorder","240527","2020-10-21","18:00:00",""
"4129877","14.8407","0.0005","25.2345","0.0006","16.6932","0.0004","90","","91.48","0.003","90","","6249.5","0.3","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H88 Cu2 Li4 O4 Si4 -","- C60 H88 Cu2 Li4 O4 Si4 -","- C240 H352 Cu8 Li16 O16 Si16 -","4","0.5","","Wei, Junnian; Zhang, Yongliang; Chi, Yue; Liu, Liang; Zhang, Wen-Xiong; Xi, Zhenfeng","Aromatic Dicupra[10]annulenes.","Journal of the American Chemical Society","2016","138","1","60","63","10.1021/jacs.5b11317","","","0.71073","MoKα","","0.0471","0.0329","","","0.0748","0.0818","","","","","","1.051","","","","has coordinates","240528","2020-10-21","18:00:00",""
"4129878","14.2938","0.0003","14.2938","0.0003","12.2777","0.0003","90","","90","","90","","2508.49","0.1","100.02","0.13","100.02","0.13","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C40 H80 Cu2 Li4 O4 Si4 -","- C40 H80 Cu2 Li4 O4 Si4 -","- C80 H160 Cu4 Li8 O8 Si8 -","2","0.25","","Wei, Junnian; Zhang, Yongliang; Chi, Yue; Liu, Liang; Zhang, Wen-Xiong; Xi, Zhenfeng","Aromatic Dicupra[10]annulenes.","Journal of the American Chemical Society","2016","138","1","60","63","10.1021/jacs.5b11317","","","0.71073","MoKα","","0.0316","0.0264","","","0.0635","0.0667","","","","","","1.077","","","","has coordinates,has disorder","240528","2020-10-21","18:00:00",""
"4129879","12.3581","0.0004","22.2386","0.0008","19.3513","0.0007","90","","93.795","0.003","90","","5306.6","0.3","180.01","0.1","180.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H84 Cu2 Li4 O4 Si4 -","- C44 H84 Cu2 Li4 O4 Si4 -","- C176 H336 Cu8 Li16 O16 Si16 -","4","1","","Wei, Junnian; Zhang, Yongliang; Chi, Yue; Liu, Liang; Zhang, Wen-Xiong; Xi, Zhenfeng","Aromatic Dicupra[10]annulenes.","Journal of the American Chemical Society","2016","138","1","60","63","10.1021/jacs.5b11317","","","0.71073","MoKα","","0.0848","0.0548","","","0.1334","0.1569","","","","","","1.036","","","","has coordinates,has disorder","240528","2020-10-21","18:00:00",""
"4129880","24.461","0.0008","10.7746","0.0003","20.9554","0.0007","90","","90","","90","","5523","0.3","180","0.1","180","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C52 H72 Cu2 Li2 O2 Si4 -","- C52 H72 Cu2 Li2 O2 Si4 -","- C208 H288 Cu8 Li8 O8 Si16 -","4","1","","Wei, Junnian; Zhang, Yongliang; Chi, Yue; Liu, Liang; Zhang, Wen-Xiong; Xi, Zhenfeng","Aromatic Dicupra[10]annulenes.","Journal of the American Chemical Society","2016","138","1","60","63","10.1021/jacs.5b11317","","","0.71073","MoKα","","0.0886","0.0561","","","0.1252","0.1432","","","","","","1.016","","","","has coordinates,has disorder","240528","2020-10-21","18:00:00",""
"4129881","4.8526","0.0001","26.9297","0.0005","8.2964","0.0001","90","","95.471","0.001","90","","1079.23","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6,13-bis[carbo(3-hydroxypropoxy)]-1,4,8,11-tetraazacyclotetradeca-4,6,11,13-tetraenato(2-)-k4N(1,4,8,11)copper(II)","","- C18 H30 Cu N4 O8 -","- C18 H30 Cu N4 O8 -","- C36 H60 Cu2 N8 O16 -","2","0.5","","Duprey, Jean-Louis H A; Carr-Smith, James; Horswell, Sarah L.; Kowalski, Jarosław; Tucker, James H. R.","Macrocyclic Metal Complex-DNA Conjugates for Electrochemical Sensing of Single Nucleobase Changes in DNA.","Journal of the American Chemical Society","2016","138","3","746","749","10.1021/jacs.5b11319","","","1.54178","CuKα","","0.032","0.0307","","","0.0869","0.0885","","","","","","1.062","","","","has coordinates,has disorder","240529","2020-10-21","18:00:00",""
"4129882","8.9733","0.0003","10.6271","0.0003","22.7977","0.0007","86.251","0.001","82.156","0.001","79.364","0.001","2114.85","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","'6-carbo[2,2-bis(hydroxymethyl)]butoxy-13-carbomethoxy-1,4,8,11-tetraazacyclotetradeca-4,6,11,13-tetraenato(2-)-k4N(1,4,8,11)copper(II)","","- C19 H28 Cu N4 O6 -","- C19 H28 Cu N4 O6 -","- C76 H112 Cu4 N16 O24 -","4","2","","Duprey, Jean-Louis H A; Carr-Smith, James; Horswell, Sarah L.; Kowalski, Jarosław; Tucker, James H. R.","Macrocyclic Metal Complex-DNA Conjugates for Electrochemical Sensing of Single Nucleobase Changes in DNA.","Journal of the American Chemical Society","2016","138","3","746","749","10.1021/jacs.5b11319","","","1.54178","CuKα","","0.0418","0.0389","","","0.1129","0.1172","","","","","","1.032","","","","has coordinates","240530","2020-10-21","18:00:00",""
"4129883","16.925","0.004","9.297","0.002","16.995","0.004","90","","114.388","0.004","90","","2435.6","1","130","2","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Co N2 P -","- C27 H36 Co N2 P -","- C108 H144 Co4 N8 P4 -","4","1","","Zhang, Lei; Huang, Zheng","Synthesis of 1,1,1-Tris(boronates) from Vinylarenes by Co-Catalyzed Dehydrogenative Borylations-Hydroboration.","Journal of the American Chemical Society","2015","137","50","15600","15603","10.1021/jacs.5b11366","","","0.71073","MoKα","","0.1241","0.0587","","","0.1133","0.1362","","","","","","0.972","","","","has coordinates","240531","2020-10-21","18:00:00",""
"4129884","9.7658","0.0011","12.3604","0.0014","22.998","0.003","90","","92.758","0.002","90","","2772.9","0.6","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 B3 O6 -","- C26 H43 B3 O6 -","- C104 H172 B12 O24 -","4","1","","Zhang, Lei; Huang, Zheng","Synthesis of 1,1,1-Tris(boronates) from Vinylarenes by Co-Catalyzed Dehydrogenative Borylations-Hydroboration.","Journal of the American Chemical Society","2015","137","50","15600","15603","10.1021/jacs.5b11366","","","0.71073","MoKα","","0.0737","0.0522","","","0.1209","0.1323","","","","","","1.017","","","","has coordinates","240532","2020-10-21","18:00:00",""
"4129885","11.0264","0.0013","12.7962","0.0015","13.7945","0.0016","90","","90","","90","","1946.3","0.4","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Cl Co N2 P -","- C19 H27 Cl Co N2 P -","- C76 H108 Cl4 Co4 N8 P4 -","4","1","","Zhang, Lei; Huang, Zheng","Synthesis of 1,1,1-Tris(boronates) from Vinylarenes by Co-Catalyzed Dehydrogenative Borylations-Hydroboration.","Journal of the American Chemical Society","2015","137","50","15600","15603","10.1021/jacs.5b11366","","","0.71073","MoKα","","0.0457","0.0348","","","0.0813","0.0875","","","","","","1.038","","","","has coordinates","240533","2020-10-21","18:00:00",""
"4129886","24.9455","0.0002","19.28742","0.00018","11.27639","0.00009","90","","90","","90","","5425.46","0.08","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C86 H162 N16 O35 -","- C86 H162 N16 O35 -","- C172 H324 N32 O70 -","2","0.5","","Li, Qinglian; Qin, Xiangjing; Liu, Jing; Gui, Chun; Wang, Bo; Li, Jie; Ju, Jianhua","Deciphering the Biosynthetic Origin of L-allo-Isoleucine.","Journal of the American Chemical Society","2016","138","1","408","415","10.1021/jacs.5b11380","","","1.54184","CuKα","","0.0472","0.0457","","","0.1275","0.1293","","","","","","1.054","","","","has coordinates","240534","2020-10-21","18:00:00",""
"4129887","11.9287","0.0005","15.9954","0.0006","19.3548","0.0008","96.666","0.001","107.76","0.001","94.002","0.001","3471.5","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H76 Cl2 F12 N2 P6 Pt2 -","- C51 H76 Cl2 F12 N2 P6 Pt2 -","- C102 H152 Cl4 F24 N4 P12 Pt4 -","2","1","","Jiang, Bo; Zhang, Jing; Ma, Jian-Qiu; Zheng, Wei; Chen, Li-Jun; Sun, Bin; Li, Chao; Hu, Bing-Wen; Tan, Hongwei; Li, Xiaopeng; Yang, Hai-Bo","Vapochromic Behavior of a Chair-Shaped Supramolecular Metallacycle with Ultra-Stability.","Journal of the American Chemical Society","2016","138","3","738","741","10.1021/jacs.5b11409","","","0.71073","MoKα","","0.0429","0.0314","","","0.0824","0.0867","","","","","","1.069","","","","has coordinates","240535","2020-10-21","18:00:00",""
"4129888","5.9186","0.0003","7.6659","0.0004","41.4766","0.0019","90","","90","","90","","1881.85","0.16","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Br N O3 S -","- C19 H20 Br N O3 S -","- C76 H80 Br4 N4 O12 S4 -","4","1","","Zeng, Xing-Ping; Cao, Zhong-Yan; Wang, Xin; Chen, Long; Zhou, Feng; Zhu, Feng; Wang, Cui-Hong; Zhou, Jian","Activation of Chiral (Salen)AlCl Complex by Phosphorane for Highly Enantioselective Cyanosilylation of Ketones and Enones.","Journal of the American Chemical Society","2016","138","1","416","425","10.1021/jacs.5b11476","","","0.71073","MoKα","","0.0331","0.0308","","","0.0711","0.0721","","","","","","1.08","","","","has coordinates","240536","2020-10-21","18:00:00",""
"4129889","7.7418","0.0004","12.0109","0.0006","10.5954","0.0006","90","","103.683","0.002","90","","957.26","0.09","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H19 Br2 N O3 S -","- C19 H19 Br2 N O3 S -","- C38 H38 Br4 N2 O6 S2 -","2","1","","Zeng, Xing-Ping; Cao, Zhong-Yan; Wang, Xin; Chen, Long; Zhou, Feng; Zhu, Feng; Wang, Cui-Hong; Zhou, Jian","Activation of Chiral (Salen)AlCl Complex by Phosphorane for Highly Enantioselective Cyanosilylation of Ketones and Enones.","Journal of the American Chemical Society","2016","138","1","416","425","10.1021/jacs.5b11476","","","0.71073","MoKα","","0.0269","0.0242","","","0.0507","0.0522","","","","","","1.056","","","","has coordinates","240537","2020-10-21","18:00:00",""
"4129890","17.4022","0.001","13.7426","0.0008","19.3267","0.0011","90","","112.747","0.0007","90","","4262.5","0.4","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H64 Si6 Th -","- C33 H64 Si6 Th -","- C132 H256 Si24 Th4 -","4","1","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Expanding Thorium Hydride Chemistry Through Th²⁺, Including the Synthesis of a Mixed-Valent Th⁴⁺/Th³⁺ Hydride Complex.","Journal of the American Chemical Society","2016","138","12","4036","4045","10.1021/jacs.5b11508","","","0.71073","MoKα","","0.03","0.0225","","","0.0494","0.0522","","","","","","1.031","","","","has coordinates,has disorder","240538","2020-10-21","18:00:00",""
"4129891","15.8189","0.0007","15.8189","0.0007","16.2473","0.0007","90","","90","","120","","3521","0.3","88","2","88","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H40 Th -","- C27 H40 Th -","- C162 H240 Th6 -","6","0.333333","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Expanding Thorium Hydride Chemistry Through Th²⁺, Including the Synthesis of a Mixed-Valent Th⁴⁺/Th³⁺ Hydride Complex.","Journal of the American Chemical Society","2016","138","12","4036","4045","10.1021/jacs.5b11508","","","0.71073","MoKα","","0.0176","0.0142","","","0.0304","0.0316","","","","","","1.079","","","","has coordinates,has disorder","240539","2020-10-21","18:00:00",""
"4129892","12.0864","0.0005","14.4795","0.0006","16.9216","0.0007","107.436","0.0005","102.845","0.0005","109.223","0.0005","2492.69","0.18","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H83 K N2 O7 Th -","- C49 H83 K N2 O7 Th -","- C98 H166 K2 N4 O14 Th2 -","2","1","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Expanding Thorium Hydride Chemistry Through Th²⁺, Including the Synthesis of a Mixed-Valent Th⁴⁺/Th³⁺ Hydride Complex.","Journal of the American Chemical Society","2016","138","12","4036","4045","10.1021/jacs.5b11508","","","0.71073","MoKα","","0.0407","0.0358","","","0.0853","0.0877","","","","","","1.068","","","","has coordinates","240540","2020-10-21","18:00:00",""
"4129893","13.1226","0.0006","16.1953","0.0007","19.4312","0.0008","93.503","0.0005","93.5208","0.0005","95.9729","0.0005","4089.9","0.3","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H127 K O7.5 Si8 Th2 -","- C62 H127 K O7.5 Si8 Th2 -","- C124 H254 K2 O15 Si16 Th4 -","2","1","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Expanding Thorium Hydride Chemistry Through Th²⁺, Including the Synthesis of a Mixed-Valent Th⁴⁺/Th³⁺ Hydride Complex.","Journal of the American Chemical Society","2016","138","12","4036","4045","10.1021/jacs.5b11508","","","0.71073","MoKα","","0.0223","0.0191","","","0.0423","0.0432","","","","","","1.033","","","","has coordinates,has disorder","240541","2020-10-21","18:00:00",""
"4129894","13.657","0.0012","18.8676","0.0018","45.656","0.004","90","","90","","90","","11764.4","1.8","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C201 H280 F24 Mn4 N16 O27 S8 -","- C201 H280 F24 Mn4 N16 O27 S8 -","- C402 H560 F48 Mn8 N32 O54 S16 -","2","0.5","","Miao, Chengxia; Wang, Bin; Wang, Yong; Xia, Chungu; Lee, Yong-Min; Nam, Wonwoo; Sun, Wei","Proton-Promoted and Anion-Enhanced Epoxidation of Olefins by Hydrogen Peroxide in the Presence of Nonheme Manganese Catalysts.","Journal of the American Chemical Society","2016","138","3","936","943","10.1021/jacs.5b11579","","","0.71073","MoKα","","0.1487","0.0946","","","0.2337","0.2578","","","","","","1.007","","","","has coordinates,has disorder","240542","2020-10-21","18:00:00",""
"4129895","18.1548","0.0011","10.5369","0.0007","9.3957","0.0005","90","","90","","90","","1797.35","0.19","147","2","147","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H2 Br2 F10 Te -","- C16 H2 Br2 F10 Te -","- C64 H8 Br8 F40 Te4 -","4","0.5","","Carrera, Elisa I.; Lanterna, Anabel E.; Lough, Alan J.; Scaiano, Juan C.; Seferos, Dwight S.","A Mechanistic Study of Halogen Addition and Photoelimination from π-Conjugated Tellurophenes.","Journal of the American Chemical Society","2016","138","8","2678","2689","10.1021/jacs.5b11649","","","0.71073","MoKα","","0.0315","0.021","","","0.0422","0.0452","","","","","","1.027","","","","has coordinates","240543","2020-10-21","18:00:00",""
"4129896","25.7637","0.0016","9.6107","0.0006","7.6918","0.0005","90","","94.119","0.002","90","","1899.6","0.2","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H10 Br2 F6 Te -","- C18 H10 Br2 F6 Te -","- C72 H40 Br8 F24 Te4 -","4","0.5","","Carrera, Elisa I.; Lanterna, Anabel E.; Lough, Alan J.; Scaiano, Juan C.; Seferos, Dwight S.","A Mechanistic Study of Halogen Addition and Photoelimination from π-Conjugated Tellurophenes.","Journal of the American Chemical Society","2016","138","8","2678","2689","10.1021/jacs.5b11649","","","0.71073","MoKα","","0.0279","0.0208","","","0.0467","0.0502","","","","","","1.059","","","","has coordinates","240544","2020-10-21","18:00:00",""
"4129897","34.193","0.003","10.0162","0.0008","6.9968","0.0006","90","","100.07","0.003","90","","2359.4","0.3","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Br2 O2 Te -","- C24 H28 Br2 O2 Te -","- C96 H112 Br8 O8 Te4 -","4","0.5","","Carrera, Elisa I.; Lanterna, Anabel E.; Lough, Alan J.; Scaiano, Juan C.; Seferos, Dwight S.","A Mechanistic Study of Halogen Addition and Photoelimination from π-Conjugated Tellurophenes.","Journal of the American Chemical Society","2016","138","8","2678","2689","10.1021/jacs.5b11649","","","0.71073","MoKα","","0.033","0.022","","","0.0439","0.0471","","","","","","1.038","","","","has coordinates","240545","2020-10-21","18:00:00",""
"4129898","33.066","0.003","9.7784","0.0009","7.1871","0.0007","90","","90.781","0.003","90","","2323.6","0.4","147","2","147","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Br2 Te -","- C24 H28 Br2 Te -","- C96 H112 Br8 Te4 -","4","0.5","","Carrera, Elisa I.; Lanterna, Anabel E.; Lough, Alan J.; Scaiano, Juan C.; Seferos, Dwight S.","A Mechanistic Study of Halogen Addition and Photoelimination from π-Conjugated Tellurophenes.","Journal of the American Chemical Society","2016","138","8","2678","2689","10.1021/jacs.5b11649","","","0.71073","MoKα","","0.0271","0.0193","","","0.0543","0.0586","","","","","","0.974","","","","has coordinates","240546","2020-10-21","18:00:00",""
"4129899","12.1826","0.001","9.1323","0.0007","11.2711","0.001","90","","114.959","0.005","90","","1136.86","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O -","- C15 H14 O -","- C60 H56 O4 -","4","1","","Ayitou, Anoklase J.-L.; Flynn, Kristen; Jockusch, Steffen; Khan, Saeed I.; Garcia-Garibay, Miguel A","Structure-Kinetics Correlations in Isostructural Crystals of α-(ortho-Tolyl)-acetophenones: Pinning Down Electronic Effects Using Laser-Flash Photolysis in the Solid State.","Journal of the American Chemical Society","2016","138","8","2644","2648","10.1021/jacs.5b11657","","","1.54178","CuKα","","0.1133","0.0584","","","0.132","0.1563","","","","","","1.052","","","","has coordinates","240547","2020-10-21","18:00:00",""
"4129900","12.8879","0.0011","8.7706","0.0007","11.5969","0.001","90","","109.124","0.006","90","","1238.51","0.19","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O -","- C16 H16 O -","- C64 H64 O4 -","4","1","","Ayitou, Anoklase J.-L.; Flynn, Kristen; Jockusch, Steffen; Khan, Saeed I.; Garcia-Garibay, Miguel A","Structure-Kinetics Correlations in Isostructural Crystals of α-(ortho-Tolyl)-acetophenones: Pinning Down Electronic Effects Using Laser-Flash Photolysis in the Solid State.","Journal of the American Chemical Society","2016","138","8","2644","2648","10.1021/jacs.5b11657","","","1.54178","CuKα","","0.0678","0.042","","","0.1011","0.132","","","","","","1.066","","","","has coordinates","240549","2020-10-21","18:00:00",""
"4129901","8.2499","0.0004","11.6336","0.0006","8.1398","0.0004","90","","90","","90","","781.23","0.07","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Poly[methylammonium tris(mu!2$-formato-k2O:O')cobalt(II)]","","- C4 H9 Co N O6 -","- C4 H9 Co N O6 -","- C16 H36 Co4 N4 O24 -","4","0.5","","Gómez-Aguirre, L Claudia; Pato-Doldán, Breogán; Mira, J.; Castro-García, Socorro; Señarís-Rodríguez, María Antonia; Sánchez-Andújar, Manuel; Singleton, John; Zapf, Vivien S.","Magnetic Ordering-Induced Multiferroic Behavior in [CH3NH3][Co(HCOO)3] Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","4","1122","1125","10.1021/jacs.5b11688","","","0.71073","MoKα","","0.0465","0.0374","","","0.0977","0.1037","","","","","","1.018","","","","has coordinates","240550","2020-10-21","18:00:00",""
"4129902","11.275","0.005","10.061","0.004","31.113","0.013","90","","99.95","0.005","90","","3476","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H48 B Cl Ir P2 -","- C37 H48 B Cl Ir P2 -","- C148 H192 B4 Cl4 Ir4 P8 -","4","1","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Timpa, Samuel D.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Facile Insertion of Rh and Ir into a Boron-Phenyl Bond, Leading to Boryl/Bis(phosphine) PBP Pincer Complexes.","Journal of the American Chemical Society","2016","138","7","2086","2089","10.1021/jacs.5b11706","","","0.71073","MoKα","","0.029","0.0245","","","0.0548","0.0564","","","","","","1.049","","","","has coordinates","240551","2020-10-21","18:00:00",""
"4129903","15.42","0.003","22.574","0.004","15.032","0.003","90","","102.593","0.002","90","","5106.6","1.7","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 B Cl Ir P2 -","- C24 H37 B Cl Ir P2 -","- C192 H296 B8 Cl8 Ir8 P16 -","8","2","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Timpa, Samuel D.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Facile Insertion of Rh and Ir into a Boron-Phenyl Bond, Leading to Boryl/Bis(phosphine) PBP Pincer Complexes.","Journal of the American Chemical Society","2016","138","7","2086","2089","10.1021/jacs.5b11706","","","0.71073","MoKα","","0.0373","0.027","","","0.0565","0.0599","","","","","","1.01","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4129904","15.578","0.011","22.693","0.015","15.102","0.01","90","","102.626","0.008","90","","5210","6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 B Cl P2 Rh -","- C24 H37 B Cl P2 Rh -","- C192 H296 B8 Cl8 P16 Rh8 -","8","2","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Timpa, Samuel D.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Facile Insertion of Rh and Ir into a Boron-Phenyl Bond, Leading to Boryl/Bis(phosphine) PBP Pincer Complexes.","Journal of the American Chemical Society","2016","138","7","2086","2089","10.1021/jacs.5b11706","","","0.71073","MoKα","","0.0505","0.038","","","0.0919","0.099","","","","","","1.025","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4129905","15.462","0.009","15.664","0.009","21.667","0.012","90","","90.466","0.006","90","","5248","5","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 B Cl Ir P2 -","- C24 H36 B Cl Ir P2 -","- C192 H288 B8 Cl8 Ir8 P16 -","8","2","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Timpa, Samuel D.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Facile Insertion of Rh and Ir into a Boron-Phenyl Bond, Leading to Boryl/Bis(phosphine) PBP Pincer Complexes.","Journal of the American Chemical Society","2016","138","7","2086","2089","10.1021/jacs.5b11706","","","0.71073","MoKα","","0.0295","0.026","","","0.0615","0.0632","","","","","","1.064","","","","has coordinates","240551","2020-10-21","18:00:00",""
"4129906","9.3083","0.0019","16.768","0.003","17.565","0.004","98.45","0.002","100.388","0.002","104.851","0.002","2552.2","0.9","110.15","","110.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 B Cl2 Ir P2 -","- C24 H36 B Cl2 Ir P2 -","- C96 H144 B4 Cl8 Ir4 P8 -","4","2","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Timpa, Samuel D.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Facile Insertion of Rh and Ir into a Boron-Phenyl Bond, Leading to Boryl/Bis(phosphine) PBP Pincer Complexes.","Journal of the American Chemical Society","2016","138","7","2086","2089","10.1021/jacs.5b11706","","","0.71073","MoKα","","0.0495","0.0375","","","0.0819","0.0881","","","","","","1.076","","","","has coordinates","240551","2020-10-21","18:00:00",""
"4129907","9.319","0.0019","16.684","0.003","17.57","0.004","98.321","0.002","100.429","0.002","104.786","0.002","2544.8","0.9","110.15","","110.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 B Cl2 P2 Rh -","- C24 H36 B Cl2 P2 Rh -","- C96 H144 B4 Cl8 P8 Rh4 -","4","2","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Timpa, Samuel D.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Facile Insertion of Rh and Ir into a Boron-Phenyl Bond, Leading to Boryl/Bis(phosphine) PBP Pincer Complexes.","Journal of the American Chemical Society","2016","138","7","2086","2089","10.1021/jacs.5b11706","","","0.71073","MoKα","","0.0554","0.0446","","","0.1031","0.1107","","","","","","1.048","","","","has coordinates","240551","2020-10-21","18:00:00",""
"4129908","5.9734","0.0004","31.405","0.002","8.2426","0.0005","90","","104.61","0.003","90","","1496.27","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N O4 S -","- C14 H19 N O4 S -","- C56 H76 N4 O16 S4 -","4","1","","Liniger, Marc; VanderVelde, David G.; Takase, Michael K.; Shahgholi, Mona; Stoltz, Brian M.","Total Synthesis and Characterization of 7-Hypoquinuclidonium Tetrafluoroborate and 7-Hypoquinuclidone BF3 Complex.","Journal of the American Chemical Society","2016","138","3","969","974","10.1021/jacs.5b11750","","","0.71073","MoKα","","0.0621","0.0442","","","0.1024","0.1096","","","","","","1.033","","","","has coordinates","240552","2020-10-21","18:00:00",""
"4129909","5.4701","0.0002","7.6337","0.0003","11.2184","0.0004","103.512","0.002","91.167","0.002","98.484","0.002","449.76","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H12 B F4 N O2 -","- C6 H12 B F4 N O2 -","- C12 H24 B2 F8 N2 O4 -","2","1","","Liniger, Marc; VanderVelde, David G.; Takase, Michael K.; Shahgholi, Mona; Stoltz, Brian M.","Total Synthesis and Characterization of 7-Hypoquinuclidonium Tetrafluoroborate and 7-Hypoquinuclidone BF3 Complex.","Journal of the American Chemical Society","2016","138","3","969","974","10.1021/jacs.5b11750","","","1.54178","CuKα","","0.0451","0.0378","","","0.0918","0.0965","","","","","","1.043","","","","has coordinates","240553","2020-10-21","18:00:00",""
"4129910","11.4731","0.0004","8.214","0.0002","7.6132","0.0003","90","","90","","90","","717.47","0.04","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H9 B F3 N O -","- C6 H9 B F3 N O -","- C24 H36 B4 F12 N4 O4 -","4","0.5","","Liniger, Marc; VanderVelde, David G.; Takase, Michael K.; Shahgholi, Mona; Stoltz, Brian M.","Total Synthesis and Characterization of 7-Hypoquinuclidonium Tetrafluoroborate and 7-Hypoquinuclidone BF3 Complex.","Journal of the American Chemical Society","2016","138","3","969","974","10.1021/jacs.5b11750","","","0.71073","MoKα","","0.0404","0.0317","","","0.0824","0.0863","","","","","","1.038","","","","has coordinates","240554","2020-10-21","18:00:00",""
"4129911","17.385","0.005","17.425","0.006","17.479","0.006","60.384","0.003","60.308","0.003","60.168","0.003","3768","2","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C144 H174 F15.01 N24 O3 S2.5 -","- C144 H168 F15.012 N24 O3 S2.502 -","- C144 H168 F15.012 N24 O3 S2.502 -","1","1","","Hasell, Tom; Miklitz, Marcin; Stephenson, Andrew; Little, Marc A.; Chong, Samantha Y.; Clowes, Rob; Chen, Linjiang; Holden, Daniel; Tribello, Gareth A.; Jelfs, Kim E.; Cooper, Andrew I.","Porous Organic Cages for Sulfur Hexafluoride Separation.","Journal of the American Chemical Society","2016","138","5","1653","1659","10.1021/jacs.5b11797","","x-ray","0.6889","","","0.1091","0.0894","","","0.2378","0.2549","","","","","","1.039","","","","has coordinates,has disorder","240555","2020-10-21","18:00:00",""
"4129912","18.3781","0.0016","20.5298","0.0019","25.009","0.002","71.612","0.004","71.701","0.004","75.717","0.004","8386.3","1.3","100","","100","","","","","","","","","4","P -1","-P 1","2","nonamer1","","","- C180.24 H176.19 N14 O7 -","- C180.26 H176.224 N14 O7 -","- C360.52 H352.448 N28 O14 -","2","1","","Jeon, Hae-Geun; Jung, Jin Young; Kang, Philjae; Choi, Moon-Gun; Jeong, Kyu-Sung","Folding-Generated Molecular Tubes Containing One-Dimensional Water Chains.","Journal of the American Chemical Society","2016","138","1","92","95","10.1021/jacs.5b11808","","","0.71073","MoKα","","0.1142","0.0625","","","0.1595","0.1769","","","","","","1.015","","","","has coordinates,has disorder","240556","2020-10-21","18:00:00",""
"4129913","24.337","0.005","10.843","0.002","42.89","0.009","90","","93.79","0.03","90","","11293","4","100","","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C141 H133 N11 O5 -","- C141 H133 N11 O5 -","- C564 H532 N44 O20 -","4","1","","Jeon, Hae-Geun; Jung, Jin Young; Kang, Philjae; Choi, Moon-Gun; Jeong, Kyu-Sung","Folding-Generated Molecular Tubes Containing One-Dimensional Water Chains.","Journal of the American Chemical Society","2016","138","1","92","95","10.1021/jacs.5b11808","","","0.7","synchrotron","","0.1335","0.0755","","","0.2122","0.2463","","","","","","1.049","","","","has coordinates,has disorder","240557","2020-10-21","18:00:00",""
"4129914","28.5785","0.0005","18.7796","0.0004","32.1781","0.0006","90","","114.4","0.008","90","","15727.3","1.1","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Fe9 N48 O36 W6 -","- C84 H60 Fe9 N48 O36 W6 -","- C336 H240 Fe36 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.114","0.0817","","","0.1231","0.1316","","","","","","1.188","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129915","28.6522","0.0013","18.7712","0.0007","32.1509","0.0015","90","","114.608","0.001","90","","15721.4","1.2","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co Fe8 N48 O36 W6 -","- C84 H60 Co Fe8 N48 O36 W6 -","- C336 H240 Co4 Fe32 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.08","0.0594","","","0.1318","0.1426","","","","","","1.043","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129916","28.5338","0.0012","18.7","0.0008","32.0907","0.0013","90","","114.289","0.001","90","","15607.3","1.1","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co2 Fe7 N48 O36 W6 -","- C84 H60 Co2 Fe7 N48 O36 W6 -","- C336 H240 Co8 Fe28 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.0538","0.0421","","","0.1063","0.115","","","","","","1.061","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129917","28.5736","0.0005","18.8126","0.0004","32.1223","0.0006","90","","114.311","0.001","90","","15736","0.5","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co3 Fe6 N48 O36 W6 -","- C84 H60 Co3 Fe6 N48 O36 W6 -","- C336 H240 Co12 Fe24 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.07","0.0493","","","0.1159","0.1321","","","","","","1.078","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129918","28.599","0.002","18.669","0.0015","32.103","0.002","90","","114.398","0.001","90","","15609.6","1.9","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co4 Fe5 N48 O36 W6 -","- C84 H60 Co4 Fe5 N48 O36 W6 -","- C336 H240 Co16 Fe20 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.1846","0.0974","","","0.1809","0.2174","","","","","","1.058","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129919","28.7689","0.001","18.6633","0.0009","32.2252","0.0013","90","","114.668","0.001","90","","15723.4","1.1","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co5 Fe4 N48 O36 W6 -","- C84 H60 Co5 Fe4 N48 O36 W6 -","- C336 H240 Co20 Fe16 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.1228","0.0803","","","0.1477","0.1672","","","","","","1.069","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129920","28.8284","0.0014","18.8799","0.0011","32.304","0.0016","90","","114.294","0.001","90","","16025.4","1.5","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co6 Fe3 N48 O36 W6 -","- C84 H60 Co6 Fe3 N48 O36 W6 -","- C336 H240 Co24 Fe12 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.0768","0.0548","","","0.13","0.1551","","","","","","1.084","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129921","29.0418","0.0013","18.7104","0.001","32.3007","0.0015","90","","114.66","0.001","90","","15951","1.3","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co7 Fe2 N48 O36 W6 -","- C84 H60 Co7 Fe2 N48 O36 W6 -","- C336 H240 Co28 Fe8 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.1666","0.1127","","","0.2097","0.2388","","","","","","1.056","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129922","28.7697","0.0009","19.2395","0.0007","32.365","0.0009","90","","113.535","0.001","90","","16424.3","0.9","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co8 Fe N48 O36 W6 -","- C84 H60 Co8 Fe N48 O36 W6 -","- C336 H240 Co32 Fe4 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.106","0.0656","","","0.1628","0.2018","","","","","","1.046","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129923","28.6286","0.0006","19.0072","0.0004","32.4063","0.0007","90","","114.321","0.008","90","","16068.9","1.2","250","2","250","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Fe9 N48 O36 W6 -","- C84 H60 Fe9 N48 O36 W6 -","- C336 H240 Fe36 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.105","0.0731","","","0.1065","0.1143","","","","","","1.193","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129924","28.9785","0.0009","19.3018","0.0008","32.6525","0.0012","90","","113.947","0.001","90","","16691.6","1.1","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co Fe8 N48 O36 W6 -","- C84 H60 Co Fe8 N48 O36 W6 -","- C336 H240 Co4 Fe32 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.105","0.0871","","","0.2002","0.219","","","","","","1.088","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129925","29.053","0.005","19.168","0.004","32.664","0.005","90","","114.441","0.003","90","","16560","5","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co2 Fe7 N48 O36 W6 -","- C84 H60 Co2 Fe7 N48 O36 W6 -","- C336 H240 Co8 Fe28 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.1318","0.0796","","","0.1758","0.2182","","","","","","1.091","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129926","28.9856","0.0005","19.2823","0.0003","32.5854","0.0006","90","","114.156","0.001","90","","16617.5","0.5","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co3 Fe6 N48 O36 W6 -","- C84 H60 Co3 Fe6 N48 O36 W6 -","- C336 H240 Co12 Fe24 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.052","0.0395","","","0.089","0.0949","","","","","","1.046","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129927","28.9963","0.0009","19.2192","0.0007","32.5401","0.0009","90","","114.215","0.001","90","","16538.6","0.9","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co4 Fe5 N48 O36 W6 -","- C84 H60 Co4 Fe5 N48 O36 W6 -","- C336 H240 Co16 Fe20 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.1334","0.0804","","","0.1383","0.1579","","","","","","1.073","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129928","29.0583","0.0005","19.2371","0.0005","32.5858","0.0006","90","","114.181","0.001","90","","16617.1","0.6","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co5 Fe4 N48 O36 W6 -","- C84 H60 Co5 Fe4 N48 O36 W6 -","- C336 H240 Co20 Fe16 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.076","0.0544","","","0.131","0.1655","","","","","","1.118","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129929","28.9608","0.0006","19.3329","0.0005","32.6113","0.0006","90","","114.018","0.001","90","","16678","0.6","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co6 Fe3 N48 O36 W6 -","- C84 H60 Co6 Fe3 N48 O36 W6 -","- C336 H240 Co24 Fe12 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.0778","0.0587","","","0.1686","0.2267","","","","","","1.18","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129930","29.0629","0.0006","19.1056","0.0005","32.5013","0.0007","90","","114.481","0.001","90","","16424.4","0.7","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co7 Fe2 N48 O36 W6 -","- C84 H60 Co7 Fe2 N48 O36 W6 -","- C336 H240 Co28 Fe8 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.0628","0.042","","","0.0946","0.106","","","","","","1.058","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129931","28.7934","0.0007","19.4036","0.0005","32.6008","0.0007","90","","113.61","0.001","90","","16689.3","0.7","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co8 Fe N48 O36 W6 -","- C84 H60 Co8 Fe N48 O36 W6 -","- C336 H240 Co32 Fe4 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.1012","0.0697","","","0.1879","0.2547","","","","","","1.16","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129932","15.9443","0.0002","19.3479","0.0002","22.8682","0.0003","90","","91.2956","0.0005","90","","7052.78","0.15","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C88 H108 Si2 -","- C88 H108 Si2 -","- C352 H432 Si8 -","4","1","","Kobayashi, Megumi; Hayakawa, Naoki; Matsuo, Tsukasa; Li, Baolin; Fukunaga, Takeo; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","(Z)-1,2-Di(1-pyrenyl)disilene: Synthesis, Structure, and Intramolecular Charge-Transfer Emission.","Journal of the American Chemical Society","2016","138","3","758","761","10.1021/jacs.5b11970","","","0.71073","MoKα","","0.0889","0.0506","","","0.1237","0.143","","","","","","1.023","","","","has coordinates,has disorder","240560","2020-10-21","18:00:00",""
"4129933","14.969","0.002","6.2857","0.0009","20.527","0.003","90","","104.684","0.003","90","","1868.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 B O2 -","- C21 H25 B O2 -","- C84 H100 B4 O8 -","4","1","","Hu, Tian-Jiao; Zhang, Ge; Chen, Ya-Heng; Feng, Chen-Guo; Lin, Guo-Qiang","Borylation of Olefin C-H Bond via Aryl to Vinyl Palladium 1,4-Migration.","Journal of the American Chemical Society","2016","138","9","2897","2900","10.1021/jacs.5b11990","","","0.71073","MoKα","","0.0714","0.0491","","","0.1318","0.1466","","","","","","1.031","","","","has coordinates","240561","2020-10-21","18:00:00",""
"4129934","11.945","0.004","12.479","0.004","13.396","0.004","89.538","0.009","81.591","0.009","84.647","0.009","1966.7","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H39 Cl3 O3 P2 Ru -","- C47 H39 Cl3 O3 P2 Ru -","- C94 H78 Cl6 O6 P4 Ru2 -","2","1","","Rohmann, Kai; Hölscher, Markus; Leitner, Walter","Can Contemporary Density Functional Theory Predict Energy Spans in Molecular Catalysis Accurately Enough To Be Applicable for in Silico Catalyst Design? A Computational/Experimental Case Study for the Ruthenium-Catalyzed Hydrogenation of Olefins.","Journal of the American Chemical Society","2016","138","1","433","443","10.1021/jacs.5b11997","","","0.71073","MoKα","","0.1217","0.0658","","","0.1294","0.1543","","","","","","1.002","","","","has coordinates","240562","2020-10-21","18:00:00",""
"4129935","12.699","0.002","35.158","0.006","11.0528","0.0019","90","","107.071","0.003","90","","4717.3","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H69 Cl O3 P2 Ru -","- C53 H69 Cl O3 P2 Ru -","- C212 H276 Cl4 O12 P8 Ru4 -","4","1","","Rohmann, Kai; Hölscher, Markus; Leitner, Walter","Can Contemporary Density Functional Theory Predict Energy Spans in Molecular Catalysis Accurately Enough To Be Applicable for in Silico Catalyst Design? A Computational/Experimental Case Study for the Ruthenium-Catalyzed Hydrogenation of Olefins.","Journal of the American Chemical Society","2016","138","1","433","443","10.1021/jacs.5b11997","","","0.71073","MoKα","","0.0881","0.0721","","","0.1521","0.1596","","","","","","1.173","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4129936","8.851","0.0009","15.6741","0.0016","15.9474","0.0016","98.2007","0.0015","105.529","0.0015","93.3465","0.0016","2099","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C41.5 H51 Cl F3 Fe N7 O4 S -","- C41.5 H51 Cl F3 Fe N7 O4 S -","- C83 H102 Cl2 F6 Fe2 N14 O8 S2 -","2","1","","Abucayon, Erwin G.; Khade, Rahul L.; Powell, Douglas R.; Zhang, Yong; Richter-Addo, George B","Hydride Attack on a Coordinated Ferric Nitrosyl: Experimental and DFT Evidence for the Formation of a Heme Model-HNO Derivative.","Journal of the American Chemical Society","2016","138","1","104","107","10.1021/jacs.5b12008","","","0.71073","MoKα","","0.0488","0.0383","","","0.099","0.1073","","","","","","0.982","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4129937","22.5428","0.0002","10.7047","0.0001","24.0361","0.0002","90","","94.4528","0.0008","90","","5782.74","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C135 H159.7 Cl0.3 N2 O4.85 -","- C135 H159.7 Cl0.3 N2 O4.85 -","- C270 H319.4 Cl0.6 N4 O9.7 -","2","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","0.6889","Synchrotron","","0.0726","0.0625","","0.1727","0.1532","0.171","","","","","","0.975","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129938","15.838","0.0003","18.8583","0.0005","22.3857","0.0005","100.076","0.002","100.244","0.0019","103.903","0.002","6218.7","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C133 H164 N2 O3 -","- C133 H164 N2 O3 -","- C266 H328 N4 O6 -","2","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","0.6889","Synchrotron","","0.1356","0.12","","0.2457","0.2296","0.2455","","","","","","1.0257","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129939","14.4432","0.0002","15.6903","0.0003","51.638","0.0009","90","","93.5137","0.0016","90","","11680.1","0.3","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C136 H152 N2 O3 -","- C136 H152 N2 O3 -","- C544 H608 N8 O12 -","4","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","1.5418","CuKα","","0.0764","0.0647","","","0.1611","0.1735","","","","","","1.025","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129940","21.88","0.018","23.986","0.019","24.4","0.02","85.13","0.04","80.6","0.03","63.907","0.019","11345","16","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C238 H294 N2 O4 -","- C238 H294 N2 O4 -","- C476 H588 N4 O8 -","2","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","0.6889","Synchrotron","","0.1943","0.1465","","0.4265","0.3742","0.4265","","","","","","1.1297","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129941","14.5311","0.0005","15.0614","0.0005","28.4507","0.0009","98.118","0.003","97.637","0.003","90.506","0.003","6107.2","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C144 H168 N2 O4 -","- C144 H168 N2 O4 -","- C288 H336 N4 O8 -","2","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","0.6889","Synchrotron","","0.0885","0.0725","","0.1647","0.1408","0.1647","","","","","","0.9303","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129942","25.4049","0.0002","19.0336","0.0002","31.4863","0.0002","90","","90.6358","0.0006","90","","15224.2","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C155.53 H189.06 Cl1.06 N6 O7 Si Zn -","- C155.531 H189.062 Cl1.062 N6 O7 Si Zn -","- C622.124 H756.248 Cl4.248 N24 O28 Si4 Zn4 -","4","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","0.6889","Synchrotron","","0.1478","0.1239","","0.416","0.3766","0.414","","","","","","1.0368","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129943","18.7759","0.0005","25.0785","0.001","27.0816","0.001","70.818","0.003","84.309","0.003","89.279","0.003","11981.9","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C239.679 H282.716 N8 O13.68 Zn -","- C239.679 H282.716 N8 O13.679 Zn -","- C479.358 H565.432 N16 O27.358 Zn2 -","2","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","0.6889","Synchrotron","","0.1663","0.1309","","0.4226","0.3444","0.4225","","","","","","1.0241","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129944","17.5489","0.0004","20.4355","0.0006","23.3976","0.0007","115.875","0.003","90.692","0.002","104.88","0.002","7221.7","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C147 H194 Br4 Cl2 N2 O10 -","- C147 H194 Br4 Cl2 N2 O10 -","- C294 H388 Br8 Cl4 N4 O20 -","2","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","0.6889","Synchrotron","","0.1116","0.0872","","0.2938","0.254","0.2938","","","","","","0.9289","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129945","37.513","0.005","10.095","0.002","19.458","0.002","90","","103.045","0.005","90","","7178.5","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.38 H49.75 Gd N6 O15.12 -","- C28 H49 Gd N6 O15 -","- C224 H392 Gd8 N48 O120 -","8","1","","He, Jiefang; Bonnet, Célia S; Eliseeva, Svetlana V.; Lacerda, Sara; Chauvin, Thomas; Retailleau, Pascal; Szeremeta, Frederic; Badet, Bernard; Petoud, Stéphane; Tóth, Éva; Durand, Philippe","Prototypes of Lanthanide(III) Agents Responsive to Enzymatic Activities in Three Complementary Imaging Modalities: Visible/Near-Infrared Luminescence, PARACEST-, and T1-MRI.","Journal of the American Chemical Society","2016","138","9","2913","2916","10.1021/jacs.5b12084","","","0.7107","MoKα","","0.0392","0.0291","","","0.0643","0.0688","","","","","","1.034","","","","has coordinates,has disorder","240565","2020-10-21","18:00:00",""
"4129946","8.3832","0.0009","9.528","0.0007","14.1771","0.0019","70.791","0.009","77.122","0.01","86.609","0.008","1042.3","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H27 Fe I2 N O2 P2 -","- C13 H27 Fe I2 N O2 P2 -","- C26 H54 Fe2 I4 N2 O4 P4 -","2","1","","Xu, Tao; Yin, Chih-Juo Madeline; Wodrich, Matthew D.; Mazza, Simona; Schultz, Katherine M.; Scopelliti, Rosario; Hu, Xile","A Functional Model of [Fe]-Hydrogenase.","Journal of the American Chemical Society","2016","138","10","3270","3273","10.1021/jacs.5b12095","","","0.71073","MoKα","","0.0618","0.0524","","","0.1326","0.1402","","","","","","1.108","","","","has coordinates,has disorder","240566","2020-10-21","18:00:00",""
"4129947","9.9016","0.0016","11.7995","0.001","21.0437","0.0013","90","","90","","90","","2458.6","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 Fe I N2 O3 P2 -","- C20 H35 Fe I N2 O3 P2 -","- C80 H140 Fe4 I4 N8 O12 P8 -","4","1","","Xu, Tao; Yin, Chih-Juo Madeline; Wodrich, Matthew D.; Mazza, Simona; Schultz, Katherine M.; Scopelliti, Rosario; Hu, Xile","A Functional Model of [Fe]-Hydrogenase.","Journal of the American Chemical Society","2016","138","10","3270","3273","10.1021/jacs.5b12095","","","0.71073","MoKα","","0.0324","0.0274","","","0.0594","0.0617","","","","","","1.206","","","","has coordinates","240567","2020-10-21","18:00:00",""
"4129948","26.473","0.004","15.889","0.002","54.655","0.007","90","","101.963","0.007","90","","22490","5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C194 H288 B2 Cu34 F8 O2 -","- C194 H288 B2 Cu34 F8 O2 -","- C776 H1152 B8 Cu136 F32 O8 -","4","1","","Zhang, Li-Min; Mak, Thomas C. W.","Comproportionation Synthesis of Copper(I) Alkynyl Complexes Encapsulating Polyoxomolybdate Templates: Bowl-Shaped Cu33 and Peanut-Shaped Cu62 Nanoclusters.","Journal of the American Chemical Society","2016","138","9","2909","2912","10.1021/jacs.5b12103","","","0.71073","MoKα","","0.1688","0.1079","","","0.2745","0.3302","","","","","","1.058","","","","has coordinates,has disorder","240568","2020-10-21","18:00:00",""
"4129949","14.6845","0.001","19.5028","0.0012","21.5607","0.0014","90","","91.957","0.004","90","","6171.1","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H164 Cu18 F6 O12 S2 -","- C102 H164 Cu18 F6 O12 S2 -","- C204 H328 Cu36 F12 O24 S4 -","2","0.5","","Zhang, Li-Min; Mak, Thomas C. W.","Comproportionation Synthesis of Copper(I) Alkynyl Complexes Encapsulating Polyoxomolybdate Templates: Bowl-Shaped Cu33 and Peanut-Shaped Cu62 Nanoclusters.","Journal of the American Chemical Society","2016","138","9","2909","2912","10.1021/jacs.5b12103","","","0.71073","MoKα","","0.0691","0.0478","","","0.1416","0.1544","","","","","","1.089","","","","has coordinates,has disorder","240568","2020-10-21","18:00:00",""
"4129950","18.3273","0.0018","59.907","0.006","19.5146","0.0015","90","","118.25","0.007","90","","18874","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C144 H216 B Cu33 F4 Mo4 O16 -","- C144 H216 B Cu33 F4 Mo4 O16 -","- C576 H864 B4 Cu132 F16 Mo16 O64 -","4","1","","Zhang, Li-Min; Mak, Thomas C. W.","Comproportionation Synthesis of Copper(I) Alkynyl Complexes Encapsulating Polyoxomolybdate Templates: Bowl-Shaped Cu33 and Peanut-Shaped Cu62 Nanoclusters.","Journal of the American Chemical Society","2016","138","9","2909","2912","10.1021/jacs.5b12103","","","0.71073","MoKα","","0.1167","0.0966","","","0.2086","0.2181","","","","","","1.001","","","","has coordinates,has disorder","240568","2020-10-21","18:00:00",""
"4129951","17.4851","0.0011","19.3584","0.0011","45.512","0.003","90","","90.54","0.004","90","","15404.4","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C208 H310 Cu62 F12 Mo12 O62 S4 -","- C208 H310 Cu62 F12 Mo12 O62 S4 -","- C416 H620 Cu124 F24 Mo24 O124 S8 -","2","0.5","","Zhang, Li-Min; Mak, Thomas C. W.","Comproportionation Synthesis of Copper(I) Alkynyl Complexes Encapsulating Polyoxomolybdate Templates: Bowl-Shaped Cu33 and Peanut-Shaped Cu62 Nanoclusters.","Journal of the American Chemical Society","2016","138","9","2909","2912","10.1021/jacs.5b12103","","","0.71073","MoKα","","0.113","0.0658","","","0.1876","0.2044","","","","","","1.036","","","","has coordinates,has disorder","240568","2020-10-21","18:00:00",""
"4129952","13.569","0.004","13.569","0.004","51.339","0.007","90","","90","","120","","8186","4","93","2","93","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C49 H61 Cl3 N6 Na O6 Rh2 -","- C49 H61 Cl2.9998 N6 Na O6 Rh2 -","- C294 H366 Cl17.9988 N36 Na6 O36 Rh12 -","6","0.166667","","Sinha, Shashi B.; Shopov, Dimitar Y.; Sharninghausen, Liam S.; Vinyard, David J.; Mercado, Brandon Q.; Brudvig, Gary W.; Crabtree, Robert H.","A Stable Coordination Complex of Rh(IV) in an N,O-Donor Environment.","Journal of the American Chemical Society","2015","137","50","15692","15695","10.1021/jacs.5b12148","","","0.71075","MoKα","","0.09","0.0644","","","0.125","0.1345","","","","","","1.137","","","","has coordinates","240569","2020-10-21","18:00:00",""
"4129953","8.4392","0.0002","8.5761","0.0002","17.2066","0.0012","77.882","0.006","88.868","0.006","74.123","0.005","1170.2","0.1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 N3 O4 Rh -","- C24 H32 N3 O4 Rh -","- C48 H64 N6 O8 Rh2 -","2","1","","Sinha, Shashi B.; Shopov, Dimitar Y.; Sharninghausen, Liam S.; Vinyard, David J.; Mercado, Brandon Q.; Brudvig, Gary W.; Crabtree, Robert H.","A Stable Coordination Complex of Rh(IV) in an N,O-Donor Environment.","Journal of the American Chemical Society","2015","137","50","15692","15695","10.1021/jacs.5b12148","","","0.71075","MoKα","","0.02","0.0189","","","0.0457","0.0462","","","","","","1.066","","","","has coordinates","240570","2020-10-21","18:00:00",""
"4129954","14.7512","0.001","33.1199","0.0006","12.0932","0.0002","90","","103.836","0.007","90","","5736.8","0.4","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 F6 N3 O3 Rh Sb -","- C24 H30 F6 N3 O3 Rh Sb -","- C192 H240 F48 N24 O24 Rh8 Sb8 -","8","2","","Sinha, Shashi B.; Shopov, Dimitar Y.; Sharninghausen, Liam S.; Vinyard, David J.; Mercado, Brandon Q.; Brudvig, Gary W.; Crabtree, Robert H.","A Stable Coordination Complex of Rh(IV) in an N,O-Donor Environment.","Journal of the American Chemical Society","2015","137","50","15692","15695","10.1021/jacs.5b12148","","","1.54187","CuKα","","0.064","0.0555","","","0.125","0.1298","","","","","","1.128","","","","has coordinates,has disorder","240571","2020-10-21","18:00:00",""
"4129955","25.347","0.004","19.541","0.003","30.42","0.004","90","","90","","90","","15067","4","100","1","100","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C66 H116 Fe3 K N6 O9 Si3 -","- C66 H116 Fe3 K N6 O9 Si3 -","- C528 H928 Fe24 K8 N48 O72 Si24 -","8","1","","Hernández Sánchez, Raúl; Bartholomew, Amymarie K.; Powers, Tamara M.; Ménard, Gabriel; Betley, Theodore A.","Maximizing Electron Exchange in a [Fe3] Cluster.","Journal of the American Chemical Society","2016","138","7","2235","2243","10.1021/jacs.5b12181","","","0.71073","MoKα","","0.096","0.0563","","","0.1366","0.1608","","","","","","1.035","","","","has coordinates,has disorder","240572","2020-10-21","18:00:00",""
"4129956","13.449","0.003","19.29","0.005","25.532","0.006","90","","90","","90","","6624","3","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H102 Fe3 K N8 O6 Si3 -","- C60 H102 Fe3 K N8 O6 Si3 -","- C240 H408 Fe12 K4 N32 O24 Si12 -","4","1","","Hernández Sánchez, Raúl; Bartholomew, Amymarie K.; Powers, Tamara M.; Ménard, Gabriel; Betley, Theodore A.","Maximizing Electron Exchange in a [Fe3] Cluster.","Journal of the American Chemical Society","2016","138","7","2235","2243","10.1021/jacs.5b12181","","","0.71073","MoKα","","0.0645","0.047","","","0.1013","0.1088","","","","","","1.02","","","","has coordinates","240572","2020-10-21","18:00:00",""
"4129957","12.1685","0.0014","29.393","0.004","22.13","0.003","90","","93.436","0.011","90","","7901","1.8","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61.5 H68 Cl11.5 N4 O8 Pd2 -","- C61.5 H68 Cl11.4999 N4 O8 Pd2 -","- C246 H272 Cl45.9996 N16 O32 Pd8 -","4","1","","Greb, Lutz; Mutlu, Hatice; Barner-Kowollik, Christopher; Lehn, Jean-Marie","Photo- and Metallo-responsive N-Alkyl α-Bisimines as Orthogonally Addressable Main-Chain Functional Groups in Metathesis Polymers.","Journal of the American Chemical Society","2016","138","4","1142","1145","10.1021/jacs.5b12198","","","0.71073","MoKα","","0.1089","0.0734","","","0.2061","0.232","","","","","","1.048","","","","has coordinates,has disorder","240573","2020-10-21","18:00:00",""
"4129958","9.6534","0.0004","12.1371","0.0006","19.5361","0.001","98.81","0.004","97.793","0.004","90.592","0.004","2239.91","0.19","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N2 O2 -","- C26 H32 N2 O2 -","- C104 H128 N8 O8 -","4","2","","Greb, Lutz; Mutlu, Hatice; Barner-Kowollik, Christopher; Lehn, Jean-Marie","Photo- and Metallo-responsive N-Alkyl α-Bisimines as Orthogonally Addressable Main-Chain Functional Groups in Metathesis Polymers.","Journal of the American Chemical Society","2016","138","4","1142","1145","10.1021/jacs.5b12198","","","0.71073","MoKα","","0.1145","0.0486","","","0.0901","0.1077","","","","","","0.914","","","","has coordinates","240574","2020-10-21","18:00:00",""
"4129959","22.413","0.0009","16.4854","0.0008","24.6252","0.0012","90","","96.581","0.003","90","","9038.7","0.7","100","2","99.99","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C87 H53 Cl2 F13 Fe4 N12 O10 S2 -","- C87 H55 Cl2 F13 Fe4 N12 O10 S2 -","- C348 H220 Cl8 F52 Fe16 N48 O40 S8 -","4","1","","de Ruiter, Graham; Thompson, Niklas B.; Takase, Michael K.; Agapie, Theodor","Intramolecular C-H and C-F Bond Oxygenation Mediated by a Putative Terminal Oxo Species in Tetranuclear Iron Complexes.","Journal of the American Chemical Society","2016","138","5","1486","1489","10.1021/jacs.5b12214","","","1.54178","CuKα","","0.2783","0.1492","","","0.3675","0.4403","","","","","","1.151","","","","has coordinates,has disorder","240575","2020-10-21","18:00:00",""
"4129960","17.22","0.0005","26.3779","0.0009","19.6922","0.0006","90","","99.724","0.001","90","","8816.2","0.5","100","2","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C95 H83 Cl4 F3 Fe4 N12 O10 S -","- C95 H83 Cl4 F3 Fe4 N12 O10 S -","- C380 H332 Cl16 F12 Fe16 N48 O40 S4 -","4","1","","de Ruiter, Graham; Thompson, Niklas B.; Takase, Michael K.; Agapie, Theodor","Intramolecular C-H and C-F Bond Oxygenation Mediated by a Putative Terminal Oxo Species in Tetranuclear Iron Complexes.","Journal of the American Chemical Society","2016","138","5","1486","1489","10.1021/jacs.5b12214","","","0.71073","MoKα","","0.1008","0.0683","","","0.1774","0.1968","","","","","","1.046","","","","has coordinates,has disorder","240575","2020-10-21","18:00:00",""
"4129961","24.3192","0.0013","30.6264","0.0016","24.9005","0.0014","90","","95.8456","0.0017","90","","18449.7","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C192.99 H160.09 F12 Fe8 N29.4 O24.67 S4 -","- C192.99 H160.092 F12 Fe8 N29.404 O24.676 S4 -","- C771.96 H640.368 F48 Fe32 N117.616 O98.704 S16 -","4","0.5","","de Ruiter, Graham; Thompson, Niklas B.; Takase, Michael K.; Agapie, Theodor","Intramolecular C-H and C-F Bond Oxygenation Mediated by a Putative Terminal Oxo Species in Tetranuclear Iron Complexes.","Journal of the American Chemical Society","2016","138","5","1486","1489","10.1021/jacs.5b12214","","","0.71073","MoKα","","0.1263","0.0773","","","0.2051","0.244","","","","","","1.042","","","","has coordinates,has disorder","240575","2020-10-21","18:00:00",""
"4129962","14.9873","0.0004","26.9656","0.0007","22.7659","0.0006","90","","100.818","0.002","90","","9037.1","0.4","100","2","100.02","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C93.2 H70.8 F11 Fe4 N13.6 O13 S2 -","- C93.2 H70.8 F11 Fe4 N13.6 O13 S2 -","- C372.8 H283.2 F44 Fe16 N54.4 O52 S8 -","4","1","","de Ruiter, Graham; Thompson, Niklas B.; Takase, Michael K.; Agapie, Theodor","Intramolecular C-H and C-F Bond Oxygenation Mediated by a Putative Terminal Oxo Species in Tetranuclear Iron Complexes.","Journal of the American Chemical Society","2016","138","5","1486","1489","10.1021/jacs.5b12214","","","1.54178","CuKα","","0.135","0.0857","","","0.206","0.2402","","","","","","1.012","","","","has coordinates,has disorder","240575","2020-10-21","18:00:00",""
"4129963","22.6768","0.0014","17.606","0.0011","24.2443","0.0014","90","","96.7988","0.0018","90","","9611.4","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C97.52 H75.28 F12 Fe4 N15.76 O11 S2 -","- C97.518 H75.277 F12 Fe4 N15.759 O11 S2 -","- C390.072 H301.108 F48 Fe16 N63.036 O44 S8 -","4","1","","de Ruiter, Graham; Thompson, Niklas B.; Takase, Michael K.; Agapie, Theodor","Intramolecular C-H and C-F Bond Oxygenation Mediated by a Putative Terminal Oxo Species in Tetranuclear Iron Complexes.","Journal of the American Chemical Society","2016","138","5","1486","1489","10.1021/jacs.5b12214","","","0.71073","MoKα","","0.1075","0.0792","","","0.2235","0.2467","","","","","","1.053","","","","has coordinates,has disorder","240575","2020-10-21","18:00:00",""
"4129964","25.425","0.005","31.58","0.006","47.448","0.01","90","","102.06","0.03","90","","37256","14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C180 H150 N71 O30 Pd6 -","- C180 H150 N71 O30 Pd6 -","- C720 H600 N284 O120 Pd24 -","4","1","","Howlader, Prodip; Das, Paramita; Zangrando, Ennio; Mukherjee, Partha Sarathi","Urea-Functionalized Self-Assembled Molecular Prism for Heterogeneous Catalysis in Water.","Journal of the American Chemical Society","2016","138","5","1668","1676","10.1021/jacs.5b12237","","","0.7","synchrotron","","0.1038","0.0805","","","0.2272","0.2459","","","","","","0.846","","","","has coordinates","240576","2020-10-21","18:00:00",""
"4129965","8.908","0.003","9.384","0.003","13.422","0.005","108.421","0.009","103.935","0.009","98.091","0.01","1004.1","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N O3 -","- C26 H21 N O3 -","- C52 H42 N2 O6 -","2","1","","Howlader, Prodip; Das, Paramita; Zangrando, Ennio; Mukherjee, Partha Sarathi","Urea-Functionalized Self-Assembled Molecular Prism for Heterogeneous Catalysis in Water.","Journal of the American Chemical Society","2016","138","5","1668","1676","10.1021/jacs.5b12237","","","0.71073","MoKα","","0.079","0.0458","","","0.1037","0.1213","","","","","","1.026","","","","has coordinates","240577","2020-10-21","18:00:00",""
"4129966","6.9717","0.0014","12.837","0.003","9.4361","0.0019","90","","111.68","","90","","784.8","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N6 O2 -","- C18 H16 N6 O2 -","- C36 H32 N12 O4 -","2","0.5","","Howlader, Prodip; Das, Paramita; Zangrando, Ennio; Mukherjee, Partha Sarathi","Urea-Functionalized Self-Assembled Molecular Prism for Heterogeneous Catalysis in Water.","Journal of the American Chemical Society","2016","138","5","1668","1676","10.1021/jacs.5b12237","","","0.71073","MoKα","","0.1239","0.0922","","","0.2178","0.2313","","","","","","1.053","","","","has coordinates","240578","2020-10-21","18:00:00",""
"4129967","7.232","0.0007","10.7011","0.001","14.8484","0.0013","90","","90","","90","","1149.12","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 N O2 S -","- C14 H9 N O2 S -","- C56 H36 N4 O8 S4 -","4","1","","Colletto, Chiara; Islam, Saidul; Juliá-Hernández, Francisco; Larrosa, Igor","Room-Temperature Direct β-Arylation of Thiophenes and Benzo[b]thiophenes and Kinetic Evidence for a Heck-type Pathway.","Journal of the American Chemical Society","2016","138","5","1677","1683","10.1021/jacs.5b12242","","","1.54178","CuKα","","0.0251","0.0243","","","0.0638","0.0643","","","","","","1.059","","","","has coordinates","240579","2020-10-21","18:00:00",""
"4129968","10.3548","0.0002","20.5134","0.0004","18.1042","0.0005","90","","101.821","0.001","90","","3764","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H62 Co N2 Si2 -","- C36 H62 Co N2 Si2 -","- C144 H248 Co4 N8 Si8 -","4","1","","Palmer, W. Neil; Obligacion, Jennifer V.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed Benzylic Borylation: Enabling Polyborylation and Functionalization of Remote, Unactivated C(sp(3))-H Bonds.","Journal of the American Chemical Society","2016","138","3","766","769","10.1021/jacs.5b12249","","","1.54178","CuKα","","0.0652","0.0593","","","0.1632","0.1698","","","","","","1.095","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4129969","12.3461","0.0007","13.3612","0.0008","17.5563","0.0011","90","","92.925","0.002","90","","2892.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H50 Co N2 Si2 -","- C24 H50 Co N2 Si2 -","- C96 H200 Co4 N8 Si8 -","4","1","","Palmer, W. Neil; Obligacion, Jennifer V.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed Benzylic Borylation: Enabling Polyborylation and Functionalization of Remote, Unactivated C(sp(3))-H Bonds.","Journal of the American Chemical Society","2016","138","3","766","769","10.1021/jacs.5b12249","","","0.71073","MoKα","","0.0657","0.0414","","","0.0937","0.1088","","","","","","1.04","","","","has coordinates","240580","2020-10-21","18:00:00",""
"4129970","10.1386","0.0006","10.3429","0.0005","16.9441","0.0008","90","","97.22","0.003","90","","1762.71","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 B4 O8 -","- C32 H54 B4 O8 -","- C64 H108 B8 O16 -","2","0.5","","Palmer, W. Neil; Obligacion, Jennifer V.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed Benzylic Borylation: Enabling Polyborylation and Functionalization of Remote, Unactivated C(sp(3))-H Bonds.","Journal of the American Chemical Society","2016","138","3","766","769","10.1021/jacs.5b12249","","","0.71073","MoKα","","0.0666","0.0502","","","0.124","0.1327","","","","","","1.06","","","","has coordinates","240580","2020-10-21","18:00:00",""
"4129971","15.2146","0.0006","10.8264","0.0004","22.5475","0.0008","90","","109.475","0.001","90","","3501.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 B4 O8 -","- C32 H54 B4 O8 -","- C128 H216 B16 O32 -","4","1","","Palmer, W. Neil; Obligacion, Jennifer V.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed Benzylic Borylation: Enabling Polyborylation and Functionalization of Remote, Unactivated C(sp(3))-H Bonds.","Journal of the American Chemical Society","2016","138","3","766","769","10.1021/jacs.5b12249","","","0.71073","MoKα","","0.0668","0.0483","","","0.1181","0.1304","","","","","","0.936","","","","has coordinates,has disorder","240580","2020-10-21","18:00:00",""
"4129972","10.8115","0.0011","15.2429","0.0014","16.7747","0.0016","90","","90","","90","","2764.4","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H41 B3 O6 -","- C25 H41 B3 O6 -","- C100 H164 B12 O24 -","4","1","","Palmer, W. Neil; Obligacion, Jennifer V.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed Benzylic Borylation: Enabling Polyborylation and Functionalization of Remote, Unactivated C(sp(3))-H Bonds.","Journal of the American Chemical Society","2016","138","3","766","769","10.1021/jacs.5b12249","","","0.71073","MoKα","","0.0609","0.0442","","","0.0965","0.1064","","","","","","1.021","","","","has coordinates","240580","2020-10-21","18:00:00",""
"4129973","7.1942","0.0017","7.6321","0.0018","8.348","0.002","70.391","0.002","67.906","0.002","65.029","0.002","376.38","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H2 F I N2 S -","- C6 H2 F I N2 S -","- C12 H4 F2 I2 N4 S2 -","2","1","","Shi, Qinqin; Zhang, Siyuan; Zhang, Junxiang; Oswald, Victoria F.; Amassian, Aram; Marder, Seth R.; Blakey, Simon B.","KO(t)Bu-Initiated Aryl C-H Iodination: A Powerful Tool for the Synthesis of High Electron Affinity Compounds.","Journal of the American Chemical Society","2016","138","12","3946","3949","10.1021/jacs.5b12259","","","0.71073","MoKα","","0.0317","0.0291","","","0.0724","0.0742","","","","","","1.06","","","","has coordinates","240581","2020-10-21","18:00:00",""
"4129974","4.21","0.0004","13.2907","0.001","14.1228","0.0011","90","","90","","90","","790.22","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 Br I2 N S -","- C3 Br I2 N S -","- C12 Br4 I8 N4 S4 -","4","1","","Shi, Qinqin; Zhang, Siyuan; Zhang, Junxiang; Oswald, Victoria F.; Amassian, Aram; Marder, Seth R.; Blakey, Simon B.","KO(t)Bu-Initiated Aryl C-H Iodination: A Powerful Tool for the Synthesis of High Electron Affinity Compounds.","Journal of the American Chemical Society","2016","138","12","3946","3949","10.1021/jacs.5b12259","","","0.71073","MoKα","","0.0472","0.0393","","","0.0757","0.0793","","","","","","0.995","","","","has coordinates","240582","2020-10-21","18:00:00",""
"4129975","18.473","0.003","18.473","0.003","52.11","0.01","90","","90","","120","","15400","5","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C50 H74 Cu2 N6 O19 -","- C32 H22 Cu2 O10 -","- C288 H198 Cu18 O90 -","9","0.5","","Yan, Yong; Juríček, Michal; Coudert, François-Xavier; Vermeulen, Nicolaas A.; Grunder, Sergio; Dailly, Anne; Lewis, William; Blake, Alexander J.; Stoddart, J. Fraser; Schröder, Martin","Non-Interpenetrated Metal-Organic Frameworks Based on Copper(II) Paddlewheel and Oligoparaxylene-Isophthalate Linkers: Synthesis, Structure, and Gas Adsorption.","Journal of the American Chemical Society","2016","138","10","3371","3381","10.1021/jacs.5b12312","","","0.71073","MoKα","","0.192","0.1082","","","0.2618","0.2815","","","","","","1.085","","","","has coordinates,has disorder","240583","2020-10-21","18:00:00",""
"4129976","18.3194","0.0005","18.3194","0.0005","65.6209","0.0019","90","","90","","120","","19072","0.9","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C61 H91 Cu2 N7 O21 -","- C40 H30 Cu2 O10 -","- C360 H270 Cu18 O90 -","9","0.5","","Yan, Yong; Juríček, Michal; Coudert, François-Xavier; Vermeulen, Nicolaas A.; Grunder, Sergio; Dailly, Anne; Lewis, William; Blake, Alexander J.; Stoddart, J. Fraser; Schröder, Martin","Non-Interpenetrated Metal-Organic Frameworks Based on Copper(II) Paddlewheel and Oligoparaxylene-Isophthalate Linkers: Synthesis, Structure, and Gas Adsorption.","Journal of the American Chemical Society","2016","138","10","3371","3381","10.1021/jacs.5b12312","","","0.6889","synchrotron","","0.15","0.144","","","0.406","0.42","","","","","","1.95","","","","has coordinates,has disorder","240583","2020-10-21","18:00:00",""
"4129977","8.6935","0.0001","25.5171","0.0005","32.5555","0.0007","90","","90","","90","","7221.9","0.2","100","2","100","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C54.25 H34 Cd2 N13 O15 -","- C54 H34 Cd2 N12.861 O14.722 -","- C216 H136 Cd8 N51.444 O58.888 -","4","1","","Koo, Jin Young; Yakiyama, Yumi; Lee, Gil Ryeong; Lee, Jinho; Choi, Hee Cheul; Morita, Yasushi; Kawano, Masaki","Selective Formation of Conductive Network by Radical-Induced Oxidation.","Journal of the American Chemical Society","2016","138","6","1776","1779","10.1021/jacs.5b12355","","","0.6889","synchrotron","","0.0877","0.0673","","","0.1865","0.1955","","","","","","0.977","","","","has coordinates,has disorder","240584","2020-10-21","18:00:00",""
"4129978","17.868","0.0002","15.1867","0.0002","33.7475","0.0006","90","","98.694","0.001","90","","9052.4","0.2","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C80.5 H49 Cd2.5 N19.5 O23 -","- C79.5 H49 Cd2.397 N18.8 O19.975 -","- C318 H196 Cd9.588 N75.2 O79.9 -","4","1","","Koo, Jin Young; Yakiyama, Yumi; Lee, Gil Ryeong; Lee, Jinho; Choi, Hee Cheul; Morita, Yasushi; Kawano, Masaki","Selective Formation of Conductive Network by Radical-Induced Oxidation.","Journal of the American Chemical Society","2016","138","6","1776","1779","10.1021/jacs.5b12355","","","0.6889","synchrotron","","0.1249","0.0806","","","0.2506","0.2754","","","","","","1.008","","","","has coordinates,has disorder","240585","2020-10-21","18:00:00",""
"4129979","47.21","0.002","47.21","0.002","9.9682","0.0004","90","","90","","120","","19240.5","1.4","150","2","150","2","","","","","","","","4","P -3","-P 3","147","CAU-17","","","- C81 H27 Bi9 O63 -","- C81 H27 Bi9 O63 -","- C486 H162 Bi54 O378 -","6","1","","Inge, A. Ken; Köppen, Milan; Su, Jie; Feyand, Mark; Xu, Hongyi; Zou, Xiaodong; O'Keeffe, Michael; Stock, Norbert","Unprecedented Topological Complexity in a Metal-Organic Framework Constructed from Simple Building Units.","Journal of the American Chemical Society","2016","138","6","1970","1976","10.1021/jacs.5b12484","","","0.6889","","","0.1985","0.1061","","","0.2053","0.2623","","","","","","1.043","","","","has coordinates","240586","2020-10-21","18:00:00",""
"4129980","22.901","0.003","22.901","0.003","22.272","0.005","90","","90","","120","","10116","3","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C41 H57 Cu6 I4 N11 O3 -","- C32 H36 Cu6 I4 N8 -","- C192 H216 Cu36 I24 N48 -","6","0.5","","Luo, Xiaolong; Cao, Yu; Wang, Tao; Li, Guanghua; Li, Jiangang; Yang, Yonggang; Xu, Zhongxuan; Zhang, Jian; Huo, Qisheng; Liu, Yunling; Eddaoudi, Mohamed","Host-Guest Chirality Interplay: A Mutually Induced Formation of a Chiral ZMOF and Its Double-Helix Polymer Guests.","Journal of the American Chemical Society","2016","138","3","786","789","10.1021/jacs.5b12516","","","0.71073","MoKα","","0.0652","0.0428","","","0.1113","0.1176","","","","","","1.011","","","","has coordinates","240587","2020-10-21","18:00:00",""
"4129981","22.22","0.003","22.22","0.003","22.487","0.005","90","","90","","120","","9615","3","293","2","293","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C41 H57 Cu6 I4 N11 O3 -","- C35 H36 Cu6 I4 N9 -","- C210 H216 Cu36 I24 N54 -","6","0.5","","Luo, Xiaolong; Cao, Yu; Wang, Tao; Li, Guanghua; Li, Jiangang; Yang, Yonggang; Xu, Zhongxuan; Zhang, Jian; Huo, Qisheng; Liu, Yunling; Eddaoudi, Mohamed","Host-Guest Chirality Interplay: A Mutually Induced Formation of a Chiral ZMOF and Its Double-Helix Polymer Guests.","Journal of the American Chemical Society","2016","138","3","786","789","10.1021/jacs.5b12516","","","0.71073","MoKα","","0.0541","0.045","","","0.1394","0.1435","","","","","","1.097","","","","has coordinates","240588","2020-10-21","18:00:00",""
"4129982","22.92","0.003","22.92","0.003","22.27","0.005","90","","90","","120","","10132","3","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C41 H57 Cu6 I4 N11 O3 -","- C32 H36 Cu6 I4 N8 -","- C192 H216 Cu36 I24 N48 -","6","0.5","","Luo, Xiaolong; Cao, Yu; Wang, Tao; Li, Guanghua; Li, Jiangang; Yang, Yonggang; Xu, Zhongxuan; Zhang, Jian; Huo, Qisheng; Liu, Yunling; Eddaoudi, Mohamed","Host-Guest Chirality Interplay: A Mutually Induced Formation of a Chiral ZMOF and Its Double-Helix Polymer Guests.","Journal of the American Chemical Society","2016","138","3","786","789","10.1021/jacs.5b12516","","","0.71073","MoKα","","0.0812","0.0492","","","0.1233","0.1326","","","","","","1.012","","","","has coordinates","240589","2020-10-21","18:00:00",""
"4129983","25.893","0.005","12.995","0.003","6.5547","0.0014","90","","90","","90","","2205.5","0.8","130","","130","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C108 H100 N4 O16 -","4","1","","Liu, Yuesheng; Wang, Lijun; Deng, Liang","Selective Double Carbomagnesiation of Internal Alkynes Catalyzed by Iron-N-Heterocyclic Carbene Complexes: A Convenient Method to Highly Substituted 1,3-Dienyl Magnesium Reagents.","Journal of the American Chemical Society","2016","138","1","112","115","10.1021/jacs.5b12522","","","0.71073","MoKα","","0.0816","0.0557","","","0.111","0.1218","","","","","","1.037","","","","has coordinates","240590","2020-10-21","18:00:00",""
"4129984","17.4002","0.0018","8.8803","0.0009","18.069","0.002","90","","113.935","0.002","90","","2551.9","0.5","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 I -","- C29 H35 I -","- C116 H140 I4 -","4","1","","Liu, Yuesheng; Wang, Lijun; Deng, Liang","Selective Double Carbomagnesiation of Internal Alkynes Catalyzed by Iron-N-Heterocyclic Carbene Complexes: A Convenient Method to Highly Substituted 1,3-Dienyl Magnesium Reagents.","Journal of the American Chemical Society","2016","138","1","112","115","10.1021/jacs.5b12522","","","0.71073","MoKα","","0.0953","0.0462","","","0.1127","0.1408","","","","","","0.942","","","","has coordinates","240590","2020-10-21","18:00:00",""
"4129985","14.9865","0.0005","7.9786","0.0003","34.6321","0.0012","90","","101.364","0.002","90","","4059.8","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C55 H54 O -","- C55 H54 O -","- C220 H216 O4 -","4","1","","Hu, Pan; Lee, Sangsu; Herng, Tun Seng; Aratani, Naoki; Gonçalves, Théo P; Qi, Qingbiao; Shi, Xueliang; Yamada, Hiroko; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Toward Tetraradicaloid: The Effect of Fusion Mode on Radical Character and Chemical Reactivity.","Journal of the American Chemical Society","2016","138","3","1065","1077","10.1021/jacs.5b12532","","","1.54178","CuKα","","0.067","0.0486","","","0.1184","0.1306","","","","","","1.033","","","","has coordinates","240591","2020-10-21","18:00:00",""
"4129986","32.7089","0.0012","14.2715","0.0005","15.626","0.0006","90","","104.233","0.002","90","","7070.4","0.5","161","2","161","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H25 F12 O -","- C39 H25 F12 O -","- C312 H200 F96 O8 -","8","1","","Hu, Pan; Lee, Sangsu; Herng, Tun Seng; Aratani, Naoki; Gonçalves, Théo P; Qi, Qingbiao; Shi, Xueliang; Yamada, Hiroko; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Toward Tetraradicaloid: The Effect of Fusion Mode on Radical Character and Chemical Reactivity.","Journal of the American Chemical Society","2016","138","3","1065","1077","10.1021/jacs.5b12532","","","1.54178","CuKα","","0.0753","0.0625","","","0.1735","0.187","","","","","","1.044","","","","has coordinates,has disorder","240592","2020-10-21","18:00:00",""
"4129987","7.7536","0.0003","8.4647","0.0004","16.2224","0.0008","83.656","0.002","80.33","0.002","65.602","0.001","954.85","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 F5 O -","- C26 H19 F5 O -","- C52 H38 F10 O2 -","2","1","","Hu, Pan; Lee, Sangsu; Herng, Tun Seng; Aratani, Naoki; Gonçalves, Théo P; Qi, Qingbiao; Shi, Xueliang; Yamada, Hiroko; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Toward Tetraradicaloid: The Effect of Fusion Mode on Radical Character and Chemical Reactivity.","Journal of the American Chemical Society","2016","138","3","1065","1077","10.1021/jacs.5b12532","","","0.71073","MoKα","","0.0609","0.0457","","","0.1186","0.128","","","","","","1.032","","","","has coordinates","240593","2020-10-21","18:00:00",""
"4129988","10.948","0.0004","12.0802","0.0004","16.2323","0.0006","69.553","0.002","76.264","0.002","79.814","0.002","1943.58","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C102 H108 O6 -","- C102 H108 O6 -","- C102 H108 O6 -","1","0.5","","Hu, Pan; Lee, Sangsu; Herng, Tun Seng; Aratani, Naoki; Gonçalves, Théo P; Qi, Qingbiao; Shi, Xueliang; Yamada, Hiroko; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Toward Tetraradicaloid: The Effect of Fusion Mode on Radical Character and Chemical Reactivity.","Journal of the American Chemical Society","2016","138","3","1065","1077","10.1021/jacs.5b12532","","","1.54178","CuKα","","0.089","0.057","","","0.1413","0.1578","","","","","","1.029","","","","has coordinates,has disorder","240594","2020-10-21","18:00:00",""
"4129989","9.2447","0.0004","27.6365","0.001","14.8907","0.0005","90","","98.658","0.003","90","","3761.1","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 O -","- C50 H50 O -","- C200 H200 O4 -","4","1","","Hu, Pan; Lee, Sangsu; Herng, Tun Seng; Aratani, Naoki; Gonçalves, Théo P; Qi, Qingbiao; Shi, Xueliang; Yamada, Hiroko; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Toward Tetraradicaloid: The Effect of Fusion Mode on Radical Character and Chemical Reactivity.","Journal of the American Chemical Society","2016","138","3","1065","1077","10.1021/jacs.5b12532","","","1.54178","CuKα","","0.0889","0.05","","","0.1152","0.1311","","","","","","1.022","","","","has coordinates","240595","2020-10-21","18:00:00",""
"4129990","26.3642","0.0016","16.1386","0.0009","23.42","0.002","90","","119.461","0.0018","90","","8676.2","1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C58 H60 O2 -","- C58 H60 O2 -","- C464 H480 O16 -","8","1","","Hu, Pan; Lee, Sangsu; Herng, Tun Seng; Aratani, Naoki; Gonçalves, Théo P; Qi, Qingbiao; Shi, Xueliang; Yamada, Hiroko; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Toward Tetraradicaloid: The Effect of Fusion Mode on Radical Character and Chemical Reactivity.","Journal of the American Chemical Society","2016","138","3","1065","1077","10.1021/jacs.5b12532","","","0.71073","MoKα","","0.0613","0.0513","","","0.1386","0.1481","","","","","","1.021","","","","has coordinates","240596","2020-10-21","18:00:00",""
"4129991","15.7254","0.0008","16.3","0.0008","19.7644","0.001","88.0843","0.0009","73.1877","0.0009","70.5165","0.0009","4560.7","0.4","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C108 H112 Cl6 O6 -","- C108 H112 Cl6 O6 -","- C216 H224 Cl12 O12 -","2","1","","Hu, Pan; Lee, Sangsu; Herng, Tun Seng; Aratani, Naoki; Gonçalves, Théo P; Qi, Qingbiao; Shi, Xueliang; Yamada, Hiroko; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Toward Tetraradicaloid: The Effect of Fusion Mode on Radical Character and Chemical Reactivity.","Journal of the American Chemical Society","2016","138","3","1065","1077","10.1021/jacs.5b12532","","","0.71073","MoKα","","0.0871","0.064","","","0.1703","0.1934","","","","","","1.024","","","","has coordinates,has disorder","240597","2020-10-21","18:00:00",""
"4129992","12.797","0.0008","21.5812","0.0015","17.5714","0.001","90","","93.118","0.004","90","","4845.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H28.5 B Cl1.5 F20 O Zr -","- C52 H28.5 B Cl1.5 F20 O Zr -","- C208 H114 B4 Cl6 F80 O4 Zr4 -","4","1","","Metters, Owen J.; Forrest, Sebastian J. K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Small Molecule Activation by Intermolecular Zr(IV)-Phosphine Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","6","1994","2003","10.1021/jacs.5b12536","","","0.71073","MoKα","","0.0825","0.0471","","","0.0947","0.1076","","","","","","1.014","","","","has coordinates,has disorder","240598","2020-10-21","18:00:00",""
"4129993","14.7527","0.0003","18.8854","0.0004","19.4012","0.0004","90","","93.297","0.001","90","","5396.43","0.19","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H46 B Cl F20 O Zr -","- C59 H46 B Cl F20 O Zr -","- C236 H184 B4 Cl4 F80 O4 Zr4 -","4","1","","Metters, Owen J.; Forrest, Sebastian J. K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Small Molecule Activation by Intermolecular Zr(IV)-Phosphine Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","6","1994","2003","10.1021/jacs.5b12536","","","0.71073","MoKα","","0.0766","0.0493","","","0.108","0.1184","","","","","","1.053","","","","has coordinates,has disorder","240598","2020-10-21","18:00:00",""
"4129994","9.9785","0.0003","31.1578","0.0009","10.1034","0.0003","90","","113.626","0.0015","90","","2877.95","0.15","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C60 H56 B F20 O3 P Zr -","- C60 H56 B F20 O3 P Zr -","- C120 H112 B2 F40 O6 P2 Zr2 -","2","1","","Metters, Owen J.; Forrest, Sebastian J. K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Small Molecule Activation by Intermolecular Zr(IV)-Phosphine Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","6","1994","2003","10.1021/jacs.5b12536","","","0.71073","MoKα","","0.0377","0.031","","","0.0603","0.0625","","","","","","1.017","","","","has coordinates","240598","2020-10-21","18:00:00",""
"4129995","13.3376","0.0002","13.821","0.0003","14.9684","0.0003","74.9625","0.0009","66.3765","0.0008","89.8892","0.0009","2425.17","0.08","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H34 B Cl F20 O2 Zr -","- C53 H34 B Cl F20 O2 Zr -","- C106 H68 B2 Cl2 F40 O4 Zr2 -","2","1","","Metters, Owen J.; Forrest, Sebastian J. K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Small Molecule Activation by Intermolecular Zr(IV)-Phosphine Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","6","1994","2003","10.1021/jacs.5b12536","","","0.71073","MoKα","","0.0319","0.0278","","","0.0673","0.0695","","","","","","1.021","","","","has coordinates,has disorder","240598","2020-10-21","18:00:00",""
"4129996","10.6322","0.0002","31.07","0.0008","17.1127","0.0004","90","","96.56","0.001","90","","5616","0.2","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H54 B Cl F20 O2 Zr -","- C63 H54 B Cl F20 O2 Zr -","- C252 H216 B4 Cl4 F80 O8 Zr4 -","4","1","","Metters, Owen J.; Forrest, Sebastian J. K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Small Molecule Activation by Intermolecular Zr(IV)-Phosphine Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","6","1994","2003","10.1021/jacs.5b12536","","","0.71073","MoKα","","0.0417","0.0321","","","0.073","0.0778","","","","","","1.029","","","","has coordinates","240598","2020-10-21","18:00:00",""
"4129997","12.6964","0.0004","15.2765","0.0005","19.25","0.0006","73.594","0.002","74.388","0.002","82.392","0.002","3443.1","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C79 H62 B F20 O P Zr -","- C79 H62 B F20 O P Zr -","- C158 H124 B2 F40 O2 P2 Zr2 -","2","1","","Metters, Owen J.; Forrest, Sebastian J. K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Small Molecule Activation by Intermolecular Zr(IV)-Phosphine Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","6","1994","2003","10.1021/jacs.5b12536","","","0.71073","MoKα","","0.0894","0.0461","","","0.0829","0.0975","","","","","","1.003","","","","has coordinates,has disorder","240598","2020-10-21","18:00:00",""
"4129998","13.4486","0.0011","10.8936","0.0009","18.8713","0.0016","90","","94.695","0.002","90","","2755.4","0.4","100","2","99.96","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Cl3 Fe N2 -","- C29 H31 Cl3 Fe N2 -","- C116 H124 Cl12 Fe4 N8 -","4","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.0585","0.0295","","","0.0486","0.0531","","","","","","0.874","","","","has coordinates","240600","2020-10-21","18:00:00",""
"4129999","12.1706","0.0018","16.847","0.003","19.035","0.003","90","","93.66","0.003","90","","3894.9","1.1","100","1","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H47 Cl3 F Fe N3 -","- C41 H47 Cl3 F Fe N3 -","- C164 H188 Cl12 F4 Fe4 N12 -","4","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.0789","0.0559","","","0.1471","0.1632","","","","","","1.037","","","","has coordinates,has disorder","240600","2020-10-21","18:00:00",""
"4130000","12.748","0.0009","13.0508","0.0009","19.9343","0.0013","96.724","0.0013","96.731","0.0013","113.915","0.0012","2961","0.4","100","1","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H56 Cl6 F6 Fe2 N5 -","- C57 H56 Cl6 F6 Fe2 N5 -","- C114 H112 Cl12 F12 Fe4 N10 -","2","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.1058","0.0614","","","0.168","0.1922","","","","","","1.058","","","","has coordinates","240600","2020-10-21","18:00:00",""
"4130001","13.6061","0.0006","31.1222","0.0014","17.3548","0.0007","90","","103.397","0.001","90","","7148.9","0.5","100","1","99.98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H63 Cl6 F12 Fe2 N6 -","- C65 H63 Cl6 F12 Fe2 N6 -","- C260 H252 Cl24 F48 Fe8 N24 -","4","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.1348","0.0784","","","0.1946","0.2255","","","","","","1.029","","","","has coordinates,has disorder","240600","2020-10-21","18:00:00",""
"4130002","22.108","0.003","11.9657","0.0017","25.005","0.004","90","","90","","90","","6614.8","1.7","100","1","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H32.5 Cl2 F6 Fe N3 -","- C32.5 H32.5 Cl2 F6 Fe N3 -","- C260 H260 Cl16 F48 Fe8 N24 -","8","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.1072","0.0597","","","0.1439","0.1605","","","","","","0.954","","","","has coordinates","240600","2020-10-21","18:00:00",""
"4130003","12.267","0.004","12.613","0.004","13.807","0.004","76.462","0.004","82.7","0.004","71.185","0.004","1962.8","1.1","100","1","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H35 Cl3 F6 Fe N3 -","- C37 H35 Cl3 F6 Fe N3 -","- C74 H70 Cl6 F12 Fe2 N6 -","2","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.1692","0.0923","","","0.2581","0.3026","","","","","","1.038","","","","has coordinates,has disorder","240600","2020-10-21","18:00:00",""
"4130004","15.064","0.002","17.537","0.003","11.077","0.003","90","","126.613","0.002","90","","2348.9","0.8","100","1","99.99","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H25 Cl4 Fe N2 -","- C23 H25 Cl4 Fe N2 -","- C92 H100 Cl16 Fe4 N8 -","4","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.0321","0.0271","","","0.0465","0.0478","","","","","","1.023","","","","has coordinates","240600","2020-10-21","18:00:00",""
"4130005","11.6153","0.0011","11.8003","0.001","16.1066","0.0015","73.913","0.002","88.916","0.002","85.031","0.002","2113.2","0.3","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H33 Cl2 F12 Fe N4 -","- C39 H33 Cl2 F12 Fe N4 -","- C78 H66 Cl4 F24 Fe2 N8 -","2","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.0984","0.0587","","","0.1211","0.1322","","","","","","1.036","","","","has coordinates,has disorder","240600","2020-10-21","18:00:00",""
"4130006","13.793","0.003","15.003","0.003","17.037","0.002","110.736","0.01","109.193","0.011","94.824","0.014","3032.6","1.1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H178 Cs2 O26 S2 Si6 U2 -","- C80 H178 Cs2 O26 S2 Si6 U2 -","- C80 H178 Cs2 O26 S2 Si6 U2 -","1","0.5","","Chatelain, Lucile; Scopelliti, Rosario; Mazzanti, Marinella","Synthesis and Structure of Nitride-Bridged Uranium(III) Complexes.","Journal of the American Chemical Society","2016","138","6","1784","1787","10.1021/jacs.5b12620","","","0.71073","MoKα","","0.1288","0.0836","","","0.2099","0.2552","","","","","","1.072","","","","has coordinates,has disorder","240601","2020-10-21","18:00:00",""
"4130007","14.155","0.003","29.331","0.007","27.558","0.005","90","","91.061","0.016","90","","11440","4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H178 Cs2 N O26 Si6 U2 -","- C80 H178 Cs2 N O26 Si6 U2 -","- C320 H712 Cs8 N4 O104 Si24 U8 -","4","1","","Chatelain, Lucile; Scopelliti, Rosario; Mazzanti, Marinella","Synthesis and Structure of Nitride-Bridged Uranium(III) Complexes.","Journal of the American Chemical Society","2016","138","6","1784","1787","10.1021/jacs.5b12620","","","0.71073","MoKα","","0.1196","0.0788","","","0.1712","0.1999","","","","","","1.136","","","","has coordinates","240602","2020-10-21","18:00:00",""
"4130008","14.215","0.002","17.0473","0.0014","24.193","0.003","90","","90","","90","","5862.6","1.2","100","2","100","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C72 H162 Cs3 N O24 Si6 U2 -","- C72 H162 Cs3 N O24 Si6 U2 -","- C144 H324 Cs6 N2 O48 Si12 U4 -","2","0.5","","Chatelain, Lucile; Scopelliti, Rosario; Mazzanti, Marinella","Synthesis and Structure of Nitride-Bridged Uranium(III) Complexes.","Journal of the American Chemical Society","2016","138","6","1784","1787","10.1021/jacs.5b12620","","","0.71073","MoKα","","0.084","0.0613","","","0.154","0.1756","","","","","","1.054","","","","has coordinates","240603","2020-10-21","18:00:00",""
"4130009","10.949","0.003","14.788","0.004","19.821","0.005","96.298","0.006","93.114","0.006","100.111","0.007","3131.5","1.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H158 N10 O4 Si4 -","- C140 H158 N10 O4 Si4 -","- C140 H158 N10 O4 Si4 -","1","0.5","","Endres, Alexander H.; Schaffroth, Manuel; Paulus, Fabian; Reiss, Hilmar; Wadepohl, Hubert; Rominger, Frank; Krämer, Roland; Bunz, Uwe H. F.","Coronene-Containing N-Heteroarenes: 13 Rings in a Row.","Journal of the American Chemical Society","2016","138","6","1792","1795","10.1021/jacs.5b12642","","","0.71073","MoKα","","0.2401","0.1219","","","0.2765","0.3418","","","","","","1.078","","","","has coordinates,has disorder","240604","2020-10-21","18:00:00",""
"4130010","10.9819","0.0003","14.4594","0.0003","21.1642","0.0005","87.3478","0.0017","88.199","0.002","86.441","0.002","3349.25","0.14","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C134 H144 Cl18 N10 O4 Si4 -","- C134 H144 Cl18 N10 O4 Si4 -","- C134 H144 Cl18 N10 O4 Si4 -","1","0.5","","Endres, Alexander H.; Schaffroth, Manuel; Paulus, Fabian; Reiss, Hilmar; Wadepohl, Hubert; Rominger, Frank; Krämer, Roland; Bunz, Uwe H. F.","Coronene-Containing N-Heteroarenes: 13 Rings in a Row.","Journal of the American Chemical Society","2016","138","6","1792","1795","10.1021/jacs.5b12642","","x-ray","1.54184","CuKα","","0.0962","0.0735","","","0.2041","0.2153","","","","","","1.032","","","","has coordinates","240605","2020-10-21","18:00:00",""
"4130011","8.16795","0.00014","17.8145","0.0003","23.4233","0.0004","79.0943","0.0015","89.6706","0.0014","77.4838","0.0015","3264.98","0.1","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C140 H182 N10 O18 Si4 -","- C140 H182 N10 O18 Si4 -","- C140 H182 N10 O18 Si4 -","1","0.5","","Endres, Alexander H.; Schaffroth, Manuel; Paulus, Fabian; Reiss, Hilmar; Wadepohl, Hubert; Rominger, Frank; Krämer, Roland; Bunz, Uwe H. F.","Coronene-Containing N-Heteroarenes: 13 Rings in a Row.","Journal of the American Chemical Society","2016","138","6","1792","1795","10.1021/jacs.5b12642","","x-ray","1.54184","CuKα","","0.0824","0.0677","","","0.1802","0.1929","","","","","","1.034","","","","has coordinates,has disorder","240605","2020-10-21","18:00:00",""
"4130012","11.15","0.005","16.151","0.007","22.239","0.01","90","","104.421","0.007","90","","3879","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H62 Co N6 O2 -","- C37 H62 Co N6 O2 -","- C148 H248 Co4 N24 O8 -","4","1","","Corcos, Amanda R.; Villanueva, Omar; Walroth, Richard C.; Sharma, Savita K.; Bacsa, John; Lancaster, Kyle M.; MacBeth, Cora E.; Berry, John F.","Oxygen Activation by Co(II) and a Redox Non-Innocent Ligand: Spectroscopic Characterization of a Radical-Co(II)-Superoxide Complex with Divergent Catalytic Reactivity.","Journal of the American Chemical Society","2016","138","6","1796","1799","10.1021/jacs.5b12643","","","0.71073","MoKα","","0.0721","0.0482","","","0.121","0.1353","","","","","","1.031","","","","has coordinates,has disorder","240606","2020-10-21","18:00:00",""
"4130013","36.8939","0.0006","22.066","0.0005","39.9832","0.0007","90","","102.216","0.0018","90","","31813.3","1.1","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C279 H178 Ag28 Au34 -","- C279 H178 Ag28 Au34 -","- C1116 H712 Ag112 Au136 -","4","1","","Wang, Yu; Wan, Xian-Kai; Ren, Liting; Su, Haifeng; Li, Gang; Malola, Sami; Lin, Shuichao; Tang, Zichao; Häkkinen, Hannu; Teo, Boon K.; Wang, Quan-Ming; Zheng, Nanfeng","Atomically Precise Alkynyl-Protected Metal Nanoclusters as a Model Catalyst: Observation of Promoting Effect of Surface Ligands on Catalysis by Metal Nanoparticles.","Journal of the American Chemical Society","2016","138","10","3278","3281","10.1021/jacs.5b12730","","x-ray","1.54184","CuKα","","0.0935","0.0604","","","0.1484","0.1666","","","","","","1.066","","","","has coordinates","240607","2020-10-21","18:00:00",""
"4130014","11.72284","0.00019","14.8569","0.0002","28.5647","0.0005","90","","90","","90","","4974.97","0.14","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H21 B F4 Fe N5 O S -","- C24 H21 B F4 Fe N5 O S -","- C192 H168 B8 F32 Fe8 N40 O8 S8 -","8","1","","McQuilken, Alison C.; Matsumura, Hirotoshi; Dürr, Maximilian; Confer, Alex M.; Sheckelton, John P.; Siegler, Maxime A.; McQueen, Tyrel M.; Ivanović-Burmazović, Ivana; Moënne-Loccoz, Pierre; Goldberg, David P.","Photoinitiated Reactivity of a Thiolate-Ligated, Spin-Crossover Nonheme {FeNO}(7) Complex with Dioxygen.","Journal of the American Chemical Society","2016","138","9","3107","3117","10.1021/jacs.5b12741","","","1.54178","CuKα","","0.0637","0.049","","","0.1372","0.1496","","","","","","1.028","","","","has coordinates,has disorder","240608","2020-10-21","18:00:00",""
"4130015","14.701","0.005","14.717","0.005","22.163","0.007","73.645","0.003","72.336","0.003","62.544","0.003","3997","2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H67 F12 N11 O6 P2 Ru -","- C89 H67 F12 N11 O6 P2 Ru -","- C178 H134 F24 N22 O12 P4 Ru2 -","2","1","","Nakamura, Takashi; Kimura, Hikaru; Okuhara, Takashi; Yamamura, Masaki; Nabeshima, Tatsuya","A Hierarchical Self-Assembly System Built Up from Preorganized Tripodal Helical Metal Complexes.","Journal of the American Chemical Society","2016","138","3","794","797","10.1021/jacs.5b12752","","","0.71073","MoKα","","0.1065","0.071","","","0.2001","0.2208","","","","","","1.36","","","","has coordinates","240609","2020-10-21","18:00:00",""
"4130016","13.6081","0.0005","9.9487","0.0004","9.4287","0.0003","90","","90","","90","","1276.48","0.08","173","0.1","173","0.1","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C8 H10 Cu N6 O7 -","- C8 H8 Cu N6 O7 -","- C32 H32 Cu4 N24 O28 -","4","0.5","","Dos Santos, Leonardo H. R.; Lanza, Arianna; Barton, Alyssa M.; Brambleby, Jamie; Blackmore, William J. A.; Goddard, Paul A.; Xiao, Fan; Williams, Robert C.; Lancaster, Tom; Pratt, Francis L.; Blundell, Stephen J.; Singleton, John; Manson, Jamie L.; Macchi, Piero","Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets.","Journal of the American Chemical Society","2016","138","7","2280","2291","10.1021/jacs.5b12817","","x-ray","0.71073","MoKα","","0.0699","0.0475","","","0.1007","0.1094","","","","","","1.057","","","","has coordinates","240610","2020-10-21","18:00:00",""
"4130017","6.70122","0.00007","5.11854","0.00005","11.63508","0.0001","90","","90","","90","","399.089","0.007","100","0.5","100","0.5","","","","","","","from Jamie L. Manson","5","P m n a","-P 2ac 2","53","","catena-(bis(μ~2~-pyrazine-N,N')-bis(nitrato-O,O')-copper(ii))","","- C4 H4 Cu N4 O6 -","- C4 H4 Cu N4 O6 -","- C8 H8 Cu2 N8 O12 -","2","0.25","","Dos Santos, Leonardo H. R.; Lanza, Arianna; Barton, Alyssa M.; Brambleby, Jamie; Blackmore, William J. A.; Goddard, Paul A.; Xiao, Fan; Williams, Robert C.; Lancaster, Tom; Pratt, Francis L.; Blundell, Stephen J.; Singleton, John; Manson, Jamie L.; Macchi, Piero","Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets.","Journal of the American Chemical Society","2016","138","7","2280","2291","10.1021/jacs.5b12817","","","0.7107","MoKα","","0.012","0.009","","","","0.026","","","","","","0.832","","","","has coordinates","240611","2020-10-21","18:00:00",""
"4130018","7.047","0.002","14.854","0.005","15.221","0.006","90","","97.455","0.01","90","","1579.8","0.9","150","2","150.03","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H8 B F5 O2 -","- C20 H8 B F5 O2 -","- C80 H32 B4 F20 O8 -","4","1","","Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Stable Borocyclic Radicals via Frustrated Lewis Pair Hydrogenations.","Journal of the American Chemical Society","2016","138","8","2500","2503","10.1021/jacs.5b12823","","","0.71073","MoKα","","0.1157","0.0772","","","0.199","0.2236","","","","","","1.0968","","","","has coordinates","240612","2020-10-21","18:00:00",""
"4130019","13.1089","0.001","23.2919","0.0019","14.0746","0.0009","90","","99.583","0.004","90","","4237.4","0.5","149","2","149","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H8 B F10 O2 -","- C26 H8 B F10 O2 -","- C208 H64 B8 F80 O16 -","8","2","","Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Stable Borocyclic Radicals via Frustrated Lewis Pair Hydrogenations.","Journal of the American Chemical Society","2016","138","8","2500","2503","10.1021/jacs.5b12823","","","0.71073","MoKα","","0.1681","0.0862","","","0.2303","0.279","","","","","","1.0764","","","","has coordinates","240613","2020-10-21","18:00:00",""
"4130020","11.0423","0.0008","16.9039","0.0013","21.2807","0.0014","90","","97.057","0.003","90","","3942.1","0.5","150","2","150.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 B Co F10 O2 -","- C46 H38 B Co F10 O2 -","- C184 H152 B4 Co4 F40 O8 -","4","1","","Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Stable Borocyclic Radicals via Frustrated Lewis Pair Hydrogenations.","Journal of the American Chemical Society","2016","138","8","2500","2503","10.1021/jacs.5b12823","","","0.71073","MoKα","","0.0886","0.0524","","","0.1267","0.1459","","","","","","1.0642","","","","has coordinates","240614","2020-10-21","18:00:00",""
"4130021","25.3133","0.0018","15.9662","0.0018","16.4","0.0013","90","","117.857","0.007","90","","5860.1","1","150","2","150.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H18 B Co F10 O2 -","- C38 H18 B Co F10 O2 -","- C304 H144 B8 Co8 F80 O16 -","8","1","","Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Stable Borocyclic Radicals via Frustrated Lewis Pair Hydrogenations.","Journal of the American Chemical Society","2016","138","8","2500","2503","10.1021/jacs.5b12823","","","0.71073","MoKα","","0.1099","0.047","","","0.0727","0.0905","","","","","","1.0326","","","","has coordinates","240615","2020-10-21","18:00:00",""
"4130022","17.3619","0.001","20.3198","0.0013","13.4759","0.0008","90","","90","","90","","4754.2","0.5","149","2","148.82","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28.5 H9 B Cl F10 O2 -","- C28.5 H9 B Cl F10 O2 -","- C228 H72 B8 Cl8 F80 O16 -","8","1","","Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Stable Borocyclic Radicals via Frustrated Lewis Pair Hydrogenations.","Journal of the American Chemical Society","2016","138","8","2500","2503","10.1021/jacs.5b12823","","","0.71073","MoKα","","0.1277","0.0485","","","0.0885","0.1149","","","","","","1.0415","","","","has coordinates,has disorder","240616","2020-10-21","18:00:00",""
"4130023","10.9016","0.0011","11.8469","0.0011","11.8554","0.0012","84.408","0.005","80.506","0.005","88.459","0.005","1502.9","0.3","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H10 B Cl2 F15 O2 -","- C33 H10 B Cl2 F15 O2 -","- C66 H20 B2 Cl4 F30 O4 -","2","1","","Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Stable Borocyclic Radicals via Frustrated Lewis Pair Hydrogenations.","Journal of the American Chemical Society","2016","138","8","2500","2503","10.1021/jacs.5b12823","","","0.71073","MoKα","","0.0934","0.0459","","","0.0921","0.1112","","","","","","1.0285","","","","has coordinates","240617","2020-10-21","18:00:00",""
"4130024","26.8014","0.0017","26.8014","0.0017","30.1916","0.0019","90","","90","","90","","21687","2","100.15","","100.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C59.8 H66.2 Cl3 N4 Ni O -","- C54 H59 Cl3 N4 Ni O -","- C864 H944 Cl48 N64 Ni16 O16 -","16","1","","Martinez, Gabriel Espinosa; Ocampo, Cristian; Park, Yun Ji; Fout, Alison R.","Accessing Pincer Bis(carbene) Ni(IV) Complexes from Ni(II) via Halogen and Halogen Surrogates.","Journal of the American Chemical Society","2016","138","13","4290","4293","10.1021/jacs.5b12827","","x-ray","0.71073","MoKα","","0.0627","0.0432","","","0.118","0.1256","","","","","","1.056","","","","has coordinates,has disorder","240618","2020-10-21","18:00:00",""
"4130025","8.6747","0.0004","13.9513","0.0007","16.8043","0.0008","111.461","0.0018","101.546","0.002","97.071","0.002","1810.91","0.15","99.99","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H45 Br N4 Ni -","- C44 H45 Br N4 Ni -","- C88 H90 Br2 N8 Ni2 -","2","1","","Martinez, Gabriel Espinosa; Ocampo, Cristian; Park, Yun Ji; Fout, Alison R.","Accessing Pincer Bis(carbene) Ni(IV) Complexes from Ni(II) via Halogen and Halogen Surrogates.","Journal of the American Chemical Society","2016","138","13","4290","4293","10.1021/jacs.5b12827","","x-ray","0.71073","MoKα","","0.037","0.0299","","","0.0689","0.0725","","","","","","1.098","","","","has coordinates","240618","2020-10-21","18:00:00",""
"4130026","13.3193","0.0016","18.921","0.002","15.612","0.0019","90","","90.851","0.006","90","","3934","0.8","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H45 Br3 N4 Ni -","- C44 H45 Br3 N4 Ni -","- C176 H180 Br12 N16 Ni4 -","4","1","","Martinez, Gabriel Espinosa; Ocampo, Cristian; Park, Yun Ji; Fout, Alison R.","Accessing Pincer Bis(carbene) Ni(IV) Complexes from Ni(II) via Halogen and Halogen Surrogates.","Journal of the American Chemical Society","2016","138","13","4290","4293","10.1021/jacs.5b12827","","x-ray","0.71073","MoKα","","0.0249","0.02","","","0.0509","0.0524","","","","","","1.062","","","","has coordinates","240618","2020-10-21","18:00:00",""
"4130027","9.294","0.0008","11.7682","0.001","16.3112","0.0014","90","","90.1712","0.0012","90","","1784","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pd-complex","Pd-complex","","- C15 H22 N2 O4 Pd S2 -","- C15 H22 N2 O4 Pd S2 -","- C60 H88 N8 O16 Pd4 S8 -","4","1","","Sberegaeva, Anna V.; Zavalij, Peter Y.; Vedernikov, Andrei N.","Oxidation of a Monomethylpalladium(II) Complex with O2 in Water: Tuning Reaction Selectivity to Form Ethane, Methanol, or Methylhydroperoxide.","Journal of the American Chemical Society","2016","138","4","1446","1455","10.1021/jacs.5b12832","","","0.71073","MoKα","","0.0189","0.0176","","","0.0393","0.0398","","","","","","1","","","","has coordinates","240619","2020-10-21","18:00:00",""
"4130028","8.7745","0.0002","10.2125","0.0003","17.6501","0.0005","90","","90","","90","","1581.62","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O5 S -","- C16 H16 N2 O5 S -","- C64 H64 N8 O20 S4 -","4","1","","Moreno, Jesus; Picazo, Elias; Morrill, Lucas A.; Smith, Joel M.; Garg, Neil K.","Enantioselective Total Syntheses of Akuammiline Alkaloids (+)-Strictamine, (-)-2(S)-Cathafoline, and (-)-Aspidophylline A.","Journal of the American Chemical Society","2016","138","4","1162","1165","10.1021/jacs.5b12880","","","1.54178","CuKα","","0.0234","0.0232","","","0.0577","0.0578","","","","","","1.071","","","","has coordinates","240620","2020-10-21","18:00:00",""
"4130029","11.7654","0.0004","10.6457","0.0004","29.5927","0.001","90","","97.818","0.002","90","","3672.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H29 N4 O15 Zn -","- C45 H29 N4 O15 Zn -","- C180 H116 N16 O60 Zn4 -","4","1","","Zeng, Le; Liu, Tao; He, Cheng; Shi, Dongying; Zhang, Feili; Duan, Chunying","Organized Aggregation Makes Insoluble Perylene Diimide Efficient for the Reduction of Aryl Halides via Consecutive Visible Light-Induced Electron-Transfer Processes.","Journal of the American Chemical Society","2016","138","12","3958","3961","10.1021/jacs.5b12931","","","0.71073","MoKα","","0.1116","0.0691","","","0.1782","0.1942","","","","","","1.03","","","","has coordinates,has disorder","240621","2020-10-21","18:00:00",""
"4130030","22.5853","0.0015","18.2181","0.0013","22.6199","0.0016","90","","101.533","0.004","90","","9119.3","1.1","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","20120034","","","- C44 H32 Cl2 F12 Rh2 -","- C44 H32 Cl2 F12 Rh2 -","- C352 H256 Cl16 F96 Rh16 -","8","2","","Chen, Diao; Zhu, Dong-Xing; Xu, Ming-Hua","Rhodium(I)-Catalyzed Highly Enantioselective Insertion of Carbenoid into Si-H: Efficient Access to Functional Chiral Silanes.","Journal of the American Chemical Society","2016","138","5","1498","1501","10.1021/jacs.5b12960","","","0.71073","MoKα","","0.0733","0.0485","","","0.1177","0.1304","","","","","","0.965","","","","has coordinates","240622","2020-10-21","18:00:00",""
"4130031","19.7607","0.0018","10.0627","0.0009","20.2687","0.0018","90","","114.396","0.0011","90","","3670.5","0.6","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 B O4.5 -","- C21 H22 B O4.5 -","- C168 H176 B8 O36 -","8","2","","Faizi, Darius J.; Issaian, Adena; Davis, Ashlee J.; Blum, Suzanne A.","Catalyst-Free Synthesis of Borylated Lactones from Esters via Electrophilic Oxyboration.","Journal of the American Chemical Society","2016","138","7","2126","2129","10.1021/jacs.5b12989","","","0.71073","MoKα","","0.0705","0.0538","","","0.1464","0.1611","","","","","","1.059","","","","has coordinates","240623","2020-10-21","18:00:00",""
"4130032","22.185","0.004","5.4792","0.0009","15.545","0.002","90","","108.489","0.005","90","","1792.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C88 H76 N12 O8 -","4","1","","Hong, Miao; Tang, Xiaoyan; Falivene, Laura; Caporaso, Lucia; Cavallo, Luigi; Chen, Eugene Y.-X.","Proton-Transfer Polymerization by N-Heterocyclic Carbenes: Monomer and Catalyst Scopes and Mechanism for Converting Dimethacrylates into Unsaturated Polyesters.","Journal of the American Chemical Society","2016","138","6","2021","2035","10.1021/jacs.5b13019","","","0.71073","MoKα","","0.0494","0.034","","","0.0905","0.1104","","","","","","1.136","","","","has coordinates","240624","2020-10-21","18:00:00",""
"4130033","10.2142","0.0004","18.8081","0.0007","10.5146","0.0004","90","","90.0144","0.0018","90","","2019.96","0.13","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 N3 O3 -","- C23 H23 N3 O3 -","- C92 H92 N12 O12 -","4","2","","Hong, Miao; Tang, Xiaoyan; Falivene, Laura; Caporaso, Lucia; Cavallo, Luigi; Chen, Eugene Y.-X.","Proton-Transfer Polymerization by N-Heterocyclic Carbenes: Monomer and Catalyst Scopes and Mechanism for Converting Dimethacrylates into Unsaturated Polyesters.","Journal of the American Chemical Society","2016","138","6","2021","2035","10.1021/jacs.5b13019","","","0.71073","MoKα","","0.0557","0.0426","","","0.1091","0.1393","","","","","","1.146","","","","has coordinates","240626","2020-10-21","18:00:00",""
"4130034","10.6171","0.0004","14.0098","0.0005","18.6989","0.0006","90","","94.495","0.001","90","","2772.78","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","TL5-SSS","","","- C33 H37 N O5 -","- C33 H37 N O5 -","- C132 H148 N4 O20 -","4","2","","Liu, Chun; Oblak, E. Zachary; Vander Wal, Mark N.; Dilger, Andrew K.; Almstead, Danielle K.; MacMillan, David W. C.","Oxy-Allyl Cation Catalysis: An Enantioselective Electrophilic Activation Mode.","Journal of the American Chemical Society","2016","138","7","2134","2137","10.1021/jacs.5b13041","","","1.54178","CuKα","","0.0361","0.0338","","","0.0965","0.0986","","","","","","1.07","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4130035","22.756","0.003","5.9048","0.0008","27.03","0.003","90","","95.999","0.009","90","","3612.1","0.8","100","2","100","2","","","","","","","","5","I 1 2 1","I 2y","5","ZO-1-21","","","- C21 H20 Br N O2 -","- C21 H20 Br N O2 -","- C168 H160 Br8 N8 O16 -","8","2","","Liu, Chun; Oblak, E. Zachary; Vander Wal, Mark N.; Dilger, Andrew K.; Almstead, Danielle K.; MacMillan, David W. C.","Oxy-Allyl Cation Catalysis: An Enantioselective Electrophilic Activation Mode.","Journal of the American Chemical Society","2016","138","7","2134","2137","10.1021/jacs.5b13041","","","0.71073","MoKα","","0.0562","0.0338","","","0.0634","0.0666","","","","","","0.867","","","","has coordinates","240628","2020-10-21","18:00:00",""
"4130036","9.27","0.005","7.881","0.004","22.818","0.012","90","","99.868","0.012","90","","1642.3","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 I O4 -","- C18 H17 I O4 -","- C72 H68 I4 O16 -","4","1","","Jia, Kunfang; Zhang, Fuyuan; Huang, Hanchu; Chen, Yiyun","Visible-Light-Induced Alkoxyl Radical Generation Enables Selective C(sp(3))-C(sp(3)) Bond Cleavage and Functionalizations.","Journal of the American Chemical Society","2016","138","5","1514","1517","10.1021/jacs.5b13066","","","0.71073","MoKα","","0.0808","0.056","","","0.1302","0.1429","","","","","","1.026","","","","has coordinates","240629","2020-10-21","18:00:00",""
"4130037","31.0979","0.0007","20.9092","0.0005","32.2003","0.0007","90","","98.199","0.001","90","","20723.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Palladium Carbonyl Phosphine Cluster","","","- C150 H296 O25.5 P12 Pd55 -","- C150 H296 O25.5 P12 Pd55 -","- C600 H1184 O102 P48 Pd220 -","4","0.5","","Erickson, Jeremiah D.; Mednikov, Evgueni G.; Ivanov, Sergei A.; Dahl, Lawrence F.","Isolation and Structural Characterization of a Mackay 55-Metal-Atom Two-Shell Icosahedron of Pseudo-Ih Symmetry, Pd55L12(μ3-CO)20 (L = PR3, R = Isopropyl): Comparative Analysis with Interior Two-Shell Icosahedral Geometries in Capped Three-Shell Pd145, Pt-Centered Four-Shell Pd-Pt M165, and Four-Shell Au133 Nanoclusters.","Journal of the American Chemical Society","2016","138","5","1502","1505","10.1021/jacs.5b13076","","","0.71073","MoKα","","0.0743","0.0442","","","0.1058","0.1285","","","","","","1.075","","","","has coordinates,has disorder","240630","2020-10-21","18:00:00",""
"4130038","19.1528","0.0007","25.4979","0.0009","19.907","0.0007","90","","93.43","0.002","90","","9704.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","palladium carbonylphosphine cluster","","","- C134 H266 O21 P12 Pd55 -","- C134 H266 O21 P12 Pd55 -","- C268 H532 O42 P24 Pd110 -","2","0.5","","Erickson, Jeremiah D.; Mednikov, Evgueni G.; Ivanov, Sergei A.; Dahl, Lawrence F.","Isolation and Structural Characterization of a Mackay 55-Metal-Atom Two-Shell Icosahedron of Pseudo-Ih Symmetry, Pd55L12(μ3-CO)20 (L = PR3, R = Isopropyl): Comparative Analysis with Interior Two-Shell Icosahedral Geometries in Capped Three-Shell Pd145, Pt-Centered Four-Shell Pd-Pt M165, and Four-Shell Au133 Nanoclusters.","Journal of the American Chemical Society","2016","138","5","1502","1505","10.1021/jacs.5b13076","","","1.54178","CuKα","","0.0408","0.0361","","","0.0991","0.1053","","","","","","1.033","","","","has coordinates,has disorder","240631","2020-10-21","18:00:00",""
"4130039","15.1689","0.0002","9.4736","0.0001","20.5469","0.0003","90","","102.81","0.0006","90","","2879.19","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 N6 O2 P -","- C26 H47 N6 O2 P -","- C104 H188 N24 O8 P4 -","4","1","","Buß, Florenz; Mehlmann, Paul; Mück-Lichtenfeld, Christian; Bergander, Klaus; Dielmann, Fabian","Reversible Carbon Dioxide Binding by Simple Lewis Base Adducts with Electron-Rich Phosphines.","Journal of the American Chemical Society","2016","138","6","1840","1843","10.1021/jacs.5b13116","","","0.71073","MoKα","","0.0449","0.0379","","","0.0991","0.1048","","","","","","1.041","","","","has coordinates","240632","2020-10-21","18:00:00",""
"4130040","18.29","0.0004","11.5237","0.0003","13.3929","0.0003","90","","109.359","0.001","90","","2663.2","0.11","100","2","100.03","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H47 N6 P -","- C25 H47 N6 P -","- C100 H188 N24 P4 -","4","1","","Buß, Florenz; Mehlmann, Paul; Mück-Lichtenfeld, Christian; Bergander, Klaus; Dielmann, Fabian","Reversible Carbon Dioxide Binding by Simple Lewis Base Adducts with Electron-Rich Phosphines.","Journal of the American Chemical Society","2016","138","6","1840","1843","10.1021/jacs.5b13116","","","0.71073","MoKα","","0.0285","0.028","","","0.0779","0.0784","","","","","","1.035","","","","has coordinates","240633","2020-10-21","18:00:00",""
"4130041","17.3449","0.0004","9.8012","0.0002","17.5758","0.0004","90","","96.5693","0.001","90","","2968.28","0.11","100","","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H47 Au Cl N6 P -","- C25 H47 Au Cl N6 P -","- C100 H188 Au4 Cl4 N24 P4 -","4","1","","Buß, Florenz; Mehlmann, Paul; Mück-Lichtenfeld, Christian; Bergander, Klaus; Dielmann, Fabian","Reversible Carbon Dioxide Binding by Simple Lewis Base Adducts with Electron-Rich Phosphines.","Journal of the American Chemical Society","2016","138","6","1840","1843","10.1021/jacs.5b13116","","","0.71073","MoKα","","0.0255","0.0242","","","0.0554","0.0562","","","","","","1.052","","","","has coordinates","240634","2020-10-21","18:00:00",""
"4130042","10.7627","0.0002","11.3637","0.0002","14.0991","0.0002","70.7991","0.0007","70.3104","0.0008","88.7659","0.0007","1525.49","0.05","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H94 Cl4 N12 P2 Pd2 -","- C50 H94 Cl4 N12 P2 Pd2 -","- C50 H94 Cl4 N12 P2 Pd2 -","1","0.5","","Buß, Florenz; Mehlmann, Paul; Mück-Lichtenfeld, Christian; Bergander, Klaus; Dielmann, Fabian","Reversible Carbon Dioxide Binding by Simple Lewis Base Adducts with Electron-Rich Phosphines.","Journal of the American Chemical Society","2016","138","6","1840","1843","10.1021/jacs.5b13116","","","0.71073","MoKα","","0.0305","0.0257","","","0.0582","0.0603","","","","","","1.041","","","","has coordinates","240635","2020-10-21","18:00:00",""
"4130043","11.723","0.002","16.048","0.003","28.56","0.006","90","","90","","90","","5373","1.8","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H42 Mn N O2 P2 -","- C25 H42 Mn N O2 P2 -","- C200 H336 Mn8 N8 O16 P16 -","8","1","","Nerush, Alexander; Vogt, Matthias; Gellrich, Urs; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Template Catalysis by Metal-Ligand Cooperation. C-C Bond Formation via Conjugate Addition of Non-activated Nitriles under Mild, Base-free Conditions Catalyzed by a Manganese Pincer Complex.","Journal of the American Chemical Society","2016","138","22","6985","6997","10.1021/jacs.5b13208","","","0.71073","MoKα","","0.0492","0.0365","","","0.0929","0.0994","","","","","","1.051","","","","has coordinates","240636","2020-10-21","18:00:00",""
"4130044","11.956","0.002","12.902","0.003","13.4","0.003","116.17","0.03","91.63","0.02","98.83","0.03","1822.4","0.9","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H57 Mn N2 O3 P2 -","- C37 H57 Mn N2 O3 P2 -","- C74 H114 Mn2 N4 O6 P4 -","2","1","","Nerush, Alexander; Vogt, Matthias; Gellrich, Urs; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Template Catalysis by Metal-Ligand Cooperation. C-C Bond Formation via Conjugate Addition of Non-activated Nitriles under Mild, Base-free Conditions Catalyzed by a Manganese Pincer Complex.","Journal of the American Chemical Society","2016","138","22","6985","6997","10.1021/jacs.5b13208","","","0.71073","MoKα","","0.0595","0.043","","","0.1066","0.1154","","","","","","1.054","","","","has coordinates","240636","2020-10-21","18:00:00",""
"4130045","24.2059","0.0013","25.05","0.0011","42.793","0.0019","94.394","0.003","91.966","0.003","115.651","0.002","23256","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","dg_03","dg_03_0m","","- C408 H357 In37 O102 P20 -","- C408 H357 In37 O102 P20 -","- C816 H714 In74 O204 P40 -","2","1","","Gary, Dylan C.; Flowers, Sarah E.; Kaminsky, Werner; Petrone, Alessio; Li, Xiaosong; Cossairt, Brandi M.","Single-Crystal and Electronic Structure of a 1.3 nm Indium Phosphide Nanocluster.","Journal of the American Chemical Society","2016","138","5","1510","1513","10.1021/jacs.5b13214","","","0.71073","MoKα","","0.179","0.1109","","","0.2992","0.3499","","","","","","1.133","","","","has coordinates,has disorder","240637","2020-10-21","18:00:00",""
"4130046","23.5228","0.0011","24.1862","0.0012","43.037","0.0019","84.905","0.003","88.006","0.003","63.079","0.003","21744.9","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","dg_052615","dg_052615","","- C408 H359 In37 O103 P20 -","- C408 H359 In37 O103 P20 -","- C816 H718 In74 O206 P40 -","2","1","","Gary, Dylan C.; Flowers, Sarah E.; Kaminsky, Werner; Petrone, Alessio; Li, Xiaosong; Cossairt, Brandi M.","Single-Crystal and Electronic Structure of a 1.3 nm Indium Phosphide Nanocluster.","Journal of the American Chemical Society","2016","138","5","1510","1513","10.1021/jacs.5b13214","","","0.71073","MoKα","","0.1935","0.1283","","","0.3359","0.3771","","","","","","1.205","","","","has coordinates,has disorder","240638","2020-10-21","18:00:00",""
"4130047","22.245","0.002","9.3234","0.0009","8.4228","0.0008","90","","90","","90","","1746.9","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C88 H80 N8 O4 -","4","1","","Paul, Mathias; Breugst, Martin; Neudörfl, Jörg-Martin; Sunoj, Raghavan B.; Berkessel, Albrecht","Keto-Enol Thermodynamics of Breslow Intermediates.","Journal of the American Chemical Society","2016","138","15","5044","5051","10.1021/jacs.5b13236","","","0.71073","MoKα","","0.1319","0.0456","","","0.0673","0.0837","","","","","","0.818","","","","has coordinates","240639","2020-10-21","18:00:00",""
"4130048","7.5391","0.001","19.828","0.003","5.4014","0.0006","90","","90","","90","","807.43","0.19","100","2","100","2","","","","","","","","4","P c c 2","P 2 -2c","27","","","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C32 H28 Br4 O12 -","4","1","","Paul, Mathias; Breugst, Martin; Neudörfl, Jörg-Martin; Sunoj, Raghavan B.; Berkessel, Albrecht","Keto-Enol Thermodynamics of Breslow Intermediates.","Journal of the American Chemical Society","2016","138","15","5044","5051","10.1021/jacs.5b13236","","","0.71073","MoKα","","0.0816","0.0565","","","0.1349","0.1624","","","","","","1.108","","","","has coordinates","240640","2020-10-21","18:00:00",""
"4130049","8.5877","0.001","12.6416","0.0014","14.4046","0.0016","109.408","0.003","101.699","0.003","100.565","0.003","1390.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H27 N O3 -","- C39 H27 N O3 -","- C78 H54 N2 O6 -","2","1","","Mondal, Bijnaneswar; Acharyya, Koushik; Howlader, Prodip; Mukherjee, Partha Sarathi","Molecular Cage Impregnated Palladium Nanoparticles: Efficient, Additive-Free Heterogeneous Catalysts for Cyanation of Aryl Halides.","Journal of the American Chemical Society","2016","138","5","1709","1716","10.1021/jacs.5b13307","","","0.71073","MoKα","","0.07","0.0421","","","0.1096","0.1222","","","","","","0.871","","","","has coordinates","240641","2020-10-21","18:00:00",""
"4130050","46.0575","0.0006","20.9442","0.0003","14.1001","0.0003","90","","90","","90","","13601.5","0.4","293","2","293","2","","","","","","","","5","C 2 2 2","C 2 2","21","","","","- C65 H38 Cu4 N12 O20 -","- C65 H38 Cu4 N12 O20 -","- C260 H152 Cu16 N48 O80 -","4","0.5","","Li, Pei-Zhou; Wang, Xiao-Jun; Liu, Jia; Lim, Jie Sheng; Zou, Ruqiang; Zhao, Yanli","A Triazole-Containing Metal-Organic Framework as a Highly Effective and Substrate Size-Dependent Catalyst for CO2 Conversion.","Journal of the American Chemical Society","2016","138","7","2142","2145","10.1021/jacs.5b13335","","","1.54178","CuKα","","0.0381","0.0314","","","0.077","0.0797","","","","","","1.021","","","","has coordinates","240642","2020-10-21","18:00:00",""
"4130051","5.8781","0.0003","10.3144","0.0006","21.1393","0.0012","90","","94.3996","0.0011","90","","1277.88","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 Br N Si -","- C28 H28 Br N Si -","- C56 H56 Br2 N2 Si2 -","2","1","","Paioti, Paulo H. S.; Abboud, Khalil A.; Aponick, Aaron","Catalytic Enantioselective Synthesis of Amino Skipped Diynes.","Journal of the American Chemical Society","2016","138","7","2150","2153","10.1021/jacs.5b13387","","","0.71073","MoKα","","0.0193","0.0182","","","0.0513","0.0575","","","","","","1.121","","","","has coordinates","240643","2020-10-21","18:00:00",""
"4130052","10.473","0.009","22.252","0.019","7.486","0.006","90","","90","","90","","1745","3","100","2","100.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H18 Cl2 Fe N2 -","- C17 H18 Cl2 Fe N2 -","- C68 H72 Cl8 Fe4 N8 -","4","1","","Thacker, Nathan C.; Lin, Zekai; Zhang, Teng; Gilhula, James C.; Abney, Carter W.; Lin, Wenbin","Robust and Porous β-Diketiminate-Functionalized Metal-Organic Frameworks for Earth-Abundant-Metal-Catalyzed C-H Amination and Hydrogenation.","Journal of the American Chemical Society","2016","138","10","3501","3509","10.1021/jacs.5b13394","","","0.41328","synchrotronradiation","","0.1104","0.0551","","","0.1016","0.1159","","","","","","1.016","","","","has coordinates,has disorder","240644","2020-10-21","18:00:00",""
"4130053","10.305","0.002","22.491","0.004","7.4571","0.0015","90","","90","","90","","1728.3","0.6","100","2","100.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H18 Cl2 Co N2 -","- C17 H18 Cl2 Co N2 -","- C68 H72 Cl8 Co4 N8 -","4","1","","Thacker, Nathan C.; Lin, Zekai; Zhang, Teng; Gilhula, James C.; Abney, Carter W.; Lin, Wenbin","Robust and Porous β-Diketiminate-Functionalized Metal-Organic Frameworks for Earth-Abundant-Metal-Catalyzed C-H Amination and Hydrogenation.","Journal of the American Chemical Society","2016","138","10","3501","3509","10.1021/jacs.5b13394","","","0.41328","synchrotronradiation","","0.0806","0.0516","","","0.1033","0.1135","","","","","","1.028","","","","has coordinates","240645","2020-10-21","18:00:00",""
"4130054","22.0354","0.0003","22.0354","0.0003","22.0354","0.0003","90","","90","","90","","10699.5","0.3","296","2","296","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H16 Ga Mg2 N3 O16 -","- C24 H9 Ga0.99 Mg2.01 N3 O16 -","- C192 H72 Ga7.92 Mg16.08 N24 O128 -","8","0.333333","","Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun","Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","8","2524","2527","10.1021/jacs.5b13491","","","0.71073","MoKα","","0.0703","0.0512","","","0.1161","0.1228","","","","","","1.014","","","","has coordinates","240646","2020-10-21","18:00:00",""
"4130055","22.2973","0.0004","22.2973","0.0004","22.2973","0.0004","90","","90","","90","","11085.5","0.3","296","2","296","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H16 Co2 In N3 O16 -","- C24 H9 Co2.01 In0.99 N3 O16 -","- C192 H72 Co16.08 In7.92 N24 O128 -","8","0.333333","","Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun","Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","8","2524","2527","10.1021/jacs.5b13491","","","0.71073","MoKα","","0.0256","0.0242","","","0.068","0.0685","","","","","","1.037","","","","has coordinates","240646","2020-10-21","18:00:00",""
"4130056","22.3051","0.0005","22.3051","0.0005","22.3051","0.0005","90","","90","","90","","11097.2","0.4","296","2","296","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H16 In Mg2 N3 O16 -","- C24 H9 In0.99 Mg2.01 N3 O16 -","- C192 H72 In7.92 Mg16.08 N24 O128 -","8","0.333333","","Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun","Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","8","2524","2527","10.1021/jacs.5b13491","","","0.71073","MoKα","","0.0418","0.0359","","","0.0877","0.0895","","","","","","1.084","","","","has coordinates","240646","2020-10-21","18:00:00",""
"4130057","22.4704","0.0002","22.4704","0.0002","22.4704","0.0002","90","","90","","90","","11345.7","0.17","296","2","296","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H16 In Mn2 N3 O16 -","- C24 H9 In0.99 Mn2.01 N3 O16 -","- C192 H72 In7.92 Mn16.08 N24 O128 -","8","0.333333","","Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun","Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","8","2524","2527","10.1021/jacs.5b13491","","","0.71073","MoKα","","0.0336","0.0306","","","0.0809","0.082","","","","","","1.09","","","","has coordinates","240646","2020-10-21","18:00:00",""
"4130058","22.1152","0.0001","22.1152","0.0001","22.1152","0.0001","90","","90","","90","","10816.2","0.08","296","2","296","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H16 In N3 Ni2 O16 -","- C24 H9 In0.99 N3 Ni2.01 O16 -","- C192 H72 In7.92 N24 Ni16.08 O128 -","8","0.333333","","Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun","Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","8","2524","2527","10.1021/jacs.5b13491","","","0.71073","MoKα","","0.0383","0.0366","","","0.1033","0.104","","","","","","1.06","","","","has coordinates","240646","2020-10-21","18:00:00",""
"4130059","21.9692","0.0007","21.9692","0.0007","21.9692","0.0007","90","","90","","90","","10603.3","0.6","296","2","296","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H16 Mg2 N3 O16 V -","- C24 H9 Mg2.01 N3 O16 V0.99 -","- C192 H72 Mg16.08 N24 O128 V7.92 -","8","0.333333","","Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun","Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","8","2524","2527","10.1021/jacs.5b13491","","","0.71073","MoKα","","0.0463","0.0411","","","0.0989","0.101","","","","","","1.075","","","","has coordinates","240646","2020-10-21","18:00:00",""
"4130060","21.2783","0.0016","6.1728","0.0004","18.1174","0.0013","90","","116.907","0.009","90","","2122","0.3","103.2","","103.2","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H27 N O2 -","- C25 H27 N O2 -","- C100 H108 N4 O8 -","4","1","","Wu, Jicheng; Zhao, Changgui; Wang, Jian","Enantioselective Intermolecular Enamide-Aldehyde Cross-Coupling Catalyzed by Chiral N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2016","138","14","4706","4709","10.1021/jacs.5b13501","","","1.5418","CuKα","","0.0476","0.0427","","","0.1077","0.1126","","","","","","1.032","","","","has coordinates","240647","2020-10-21","18:00:00",""
"4130061","16.3695","0.0003","32.1947","0.0006","25.1628","0.0005","90","","95.3565","0.0007","90","","13203.2","0.4","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C138 H149 Cl2 N2 O12 Rh2 -","- C138 H149 Cl2 N2 O12 Rh2 -","- C552 H596 Cl8 N8 O48 Rh8 -","4","1","","Sanada, Kazuma; Ube, Hitoshi; Shionoya, Mitsuhiko","Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear System by Ligand Exchange.","Journal of the American Chemical Society","2016","138","9","2945","2948","10.1021/jacs.5b13515","","","0.71075","MoKα","","0.0747","0.0543","","","0.1484","0.1603","","","","","","1.027","","","","has coordinates","240648","2020-10-21","18:00:00",""
"4130062","27.186","0.0005","27.8325","0.0005","33.4902","0.0006","99.9773","0.0007","105.885","0.0007","117.467","0.0007","20250","0.7","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C122 H118 N2 O8 Rh2 -","- C122 H115.667 N2 O8 Rh2 -","- C732 H694 N12 O48 Rh12 -","6","3","","Sanada, Kazuma; Ube, Hitoshi; Shionoya, Mitsuhiko","Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear System by Ligand Exchange.","Journal of the American Chemical Society","2016","138","9","2945","2948","10.1021/jacs.5b13515","","","0.71075","MoKα","","","0.0732","","","","0.2144","","","","","","0.974","","","","has coordinates","240649","2020-10-21","18:00:00",""
"4130063","39.8848","0.0008","17.5558","0.0003","39.2586","0.0007","90","","118.601","0.0007","90","","24134.9","0.8","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C120 H114 N2 O8 Rh2 -","- C120 H114 N2 O8 Rh2 -","- C960 H912 N16 O64 Rh16 -","8","1","","Sanada, Kazuma; Ube, Hitoshi; Shionoya, Mitsuhiko","Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear System by Ligand Exchange.","Journal of the American Chemical Society","2016","138","9","2945","2948","10.1021/jacs.5b13515","","","0.71075","MoKα","","0.0935","0.0584","","","0.1595","0.192","","","","","","1.058","","","","has coordinates","240650","2020-10-21","18:00:00",""
"4130064","20.7033","0.0006","20.7033","0.0006","43.9483","0.0013","90","","90","","90","","18837.4","1","93","","93","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C116 H120 O10 Rh2 -","- C116 H120 O10 Rh2 -","- C928 H960 O80 Rh16 -","8","0.5","","Sanada, Kazuma; Ube, Hitoshi; Shionoya, Mitsuhiko","Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear System by Ligand Exchange.","Journal of the American Chemical Society","2016","138","9","2945","2948","10.1021/jacs.5b13515","","","0.71075","MoKα","","","0.0508","","","","0.1465","","","","","","1.071","","","","has coordinates","240651","2020-10-21","18:00:00",""
"4130065","17.3805","0.0005","25.1289","0.0007","25.2907","0.0008","90","","98.602","0.0008","90","","10921.5","0.6","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C127 H137 Cl3 N4 O9 Rh2 -","- C127 H131 Cl3 N4 O9 Rh2 -","- C508 H524 Cl12 N16 O36 Rh8 -","4","1","","Sanada, Kazuma; Ube, Hitoshi; Shionoya, Mitsuhiko","Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear System by Ligand Exchange.","Journal of the American Chemical Society","2016","138","9","2945","2948","10.1021/jacs.5b13515","","","0.71075","MoKα","","","0.0869","","","","0.2291","","","","","","1.022","","","","has coordinates","240652","2020-10-21","18:00:00",""
"4130066","18.3091","0.0005","21.6571","0.0004","27.5325","0.0006","90","","90","","90","","10917.2","0.4","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C126 H130 N2 O10 Rh2 -","- C126 H130 N2 O10 Rh2 -","- C504 H520 N8 O40 Rh8 -","4","1","","Sanada, Kazuma; Ube, Hitoshi; Shionoya, Mitsuhiko","Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear System by Ligand Exchange.","Journal of the American Chemical Society","2016","138","9","2945","2948","10.1021/jacs.5b13515","","","0.71075","MoKα","","0.1388","0.0735","","","0.1442","0.1808","","","","","","1.059","","","","has coordinates","240653","2020-10-21","18:00:00",""
"4130067","13.1263","0.0011","12.6361","0.001","19.5781","0.0012","90","","100.158","0.003","90","","3196.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 Mn N O3 P2 -","- C32 H50 Mn N O3 P2 -","- C128 H200 Mn4 N4 O12 P8 -","4","1","","Mukherjee, Arup; Nerush, Alexander; Leitus, Gregory; Shimon, Linda J. W.; Ben David, Yehoshoa; Espinosa Jalapa, Noel Angel; Milstein, David","Manganese-Catalyzed Environmentally Benign Dehydrogenative Coupling of Alcohols and Amines to Form Aldimines and H2: A Catalytic and Mechanistic Study.","Journal of the American Chemical Society","2016","138","13","4298","4301","10.1021/jacs.5b13519","","","0.71073","MoKα","","0.062","0.0443","","","0.0932","0.1007","","","","","","1.032","","","","has coordinates","240654","2020-10-21","18:00:00",""
"4130068","8.6891","0.0017","10.049","0.002","18.36","0.004","91.73","0.03","92.06","0.03","103.07","0.03","1559.4","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H48 Mn N O3 P2 -","- C32 H48 Mn N O3 P2 -","- C64 H96 Mn2 N2 O6 P4 -","2","1","","Mukherjee, Arup; Nerush, Alexander; Leitus, Gregory; Shimon, Linda J. W.; Ben David, Yehoshoa; Espinosa Jalapa, Noel Angel; Milstein, David","Manganese-Catalyzed Environmentally Benign Dehydrogenative Coupling of Alcohols and Amines to Form Aldimines and H2: A Catalytic and Mechanistic Study.","Journal of the American Chemical Society","2016","138","13","4298","4301","10.1021/jacs.5b13519","","","0.71073","MoKα","","0.0899","0.076","","","0.1715","0.1764","","","","","","1.228","","","","has coordinates","240654","2020-10-21","18:00:00",""
"4130069","11.819","0.002","14.961","0.003","15.364","0.003","90","","90","","90","","2716.7","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H44 Mn N O2 P2 -","- C25 H44 Mn N O2 P2 -","- C100 H176 Mn4 N4 O8 P8 -","4","1","","Mukherjee, Arup; Nerush, Alexander; Leitus, Gregory; Shimon, Linda J. W.; Ben David, Yehoshoa; Espinosa Jalapa, Noel Angel; Milstein, David","Manganese-Catalyzed Environmentally Benign Dehydrogenative Coupling of Alcohols and Amines to Form Aldimines and H2: A Catalytic and Mechanistic Study.","Journal of the American Chemical Society","2016","138","13","4298","4301","10.1021/jacs.5b13519","","","0.71073","MoKα","","0.07","0.0552","","","0.1281","0.1354","","","","","","1.022","","","","has coordinates,has disorder","240654","2020-10-21","18:00:00",""
"4130070","8.8088","0.0005","9.7607","0.0005","13.1099","0.0008","88.133","0.004","78.48","0.005","84.582","0.004","1099.44","0.11","298","","298","","","","","","","","","5","P -1","-P 1","2","","GTA Monomer","","- C22 H21 Cl N6 O3 -","- C22 H21 Cl N6 O3 -","- C44 H42 Cl2 N12 O6 -","2","1","","Mitra, Shouvik; Kandambeth, Sharath; Biswal, Bishnu P.; Khayum M, Abdul; Choudhury, Chandan K.; Mehta, Mihir; Kaur, Gagandeep; Banerjee, Subhrashis; Prabhune, Asmita; Verma, Sandeep; Roy, Sudip; Kharul, Ulhas K.; Banerjee, Rahul","Self-Exfoliated Guanidinium-Based Ionic Covalent Organic Nanosheets (iCONs).","Journal of the American Chemical Society","2016","138","8","2823","2828","10.1021/jacs.5b13533","","x-ray","0.71073","MoKα","","0.0897","0.0592","","","0.1408","0.1631","","","","","","1.073","","","","has coordinates","240656","2020-10-21","18:00:00",""
"4130071","7.7196","0.0005","7.7196","0.0005","6.2784","0.0006","90","","90","","120","","324.02","0.04","298","","298","","","","","","","","","4","P 63/m","-P 6c","176","","GT-Br","","- C H6 Br N6 -","- C H6 Br N6 -","- C2 H12 Br2 N12 -","2","0.166667","","Mitra, Shouvik; Kandambeth, Sharath; Biswal, Bishnu P.; Khayum M, Abdul; Choudhury, Chandan K.; Mehta, Mihir; Kaur, Gagandeep; Banerjee, Subhrashis; Prabhune, Asmita; Verma, Sandeep; Roy, Sudip; Kharul, Ulhas K.; Banerjee, Rahul","Self-Exfoliated Guanidinium-Based Ionic Covalent Organic Nanosheets (iCONs).","Journal of the American Chemical Society","2016","138","8","2823","2828","10.1021/jacs.5b13533","","x-ray","0.71073","MoKα","","0.0607","0.0506","","","0.124","0.1369","","","","","","1.087","","","","has coordinates","240657","2020-10-21","18:00:00",""
"4130072","11.8285","0.0019","11.8866","0.0019","22.494","0.004","90","","90","","90","","3162.7","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H50 B N4 O0.58 P -","- C34 H50 B N4 O0.582 P -","- C136 H200 B4 N16 O2.328 P4 -","4","1","","Mummadi, Suresh; Unruh, Daniel K.; Zhao, Jiyang; Li, Shuhua; Krempner, Clemens","""Inverse"" Frustrated Lewis Pairs‒Activation of Dihydrogen with Organosuperbases and Moderate to Weak Lewis Acids.","Journal of the American Chemical Society","2016","138","10","3286","3289","10.1021/jacs.5b13545","","","0.71073","MoKα","","0.0707","0.0465","","","0.0903","0.1004","","","","","","1.013","","","","has coordinates,has disorder","240658","2020-10-21","18:00:00",""
"4130073","9.063","0.006","12.103","0.008","18.177","0.011","101.964","0.008","92.065","0.007","108.926","0.006","1834","2","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H58 B D3 N4 P -","- C34 H58 B N4 P -","- C68 H116 B2 N8 P2 -","2","1","","Mummadi, Suresh; Unruh, Daniel K.; Zhao, Jiyang; Li, Shuhua; Krempner, Clemens","""Inverse"" Frustrated Lewis Pairs‒Activation of Dihydrogen with Organosuperbases and Moderate to Weak Lewis Acids.","Journal of the American Chemical Society","2016","138","10","3286","3289","10.1021/jacs.5b13545","","","0.71073","MoKα","","0.0845","0.0586","","","0.1475","0.165","","","","","","1.036","","","","has coordinates","240658","2020-10-21","18:00:00",""
"4130074","11.0056","0.001","11.0056","0.001","15.0573","0.0019","90","","90","","120","","1579.4","0.3","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C33 H50 B N4 P -","- C33 H50 B N4 P -","- C66 H100 B2 N8 P2 -","2","0.333333","","Mummadi, Suresh; Unruh, Daniel K.; Zhao, Jiyang; Li, Shuhua; Krempner, Clemens","""Inverse"" Frustrated Lewis Pairs‒Activation of Dihydrogen with Organosuperbases and Moderate to Weak Lewis Acids.","Journal of the American Chemical Society","2016","138","10","3286","3289","10.1021/jacs.5b13545","","","0.71073","MoKα","","0.0515","0.0432","","","0.114","0.1205","","","","","","1.08","","","","has coordinates,has disorder","240658","2020-10-21","18:00:00",""
"4130075","14.2996","0.0009","14.2996","0.0009","14.2996","0.0009","90","","90","","90","","2924","0.3","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C26.45 H57.09 B N4 O0.86 P -","- C22.9992 H50.9986 B0.9999 N4 P -","- C91.9968 H203.994 B3.9996 N16 P4 -","4","0.333333","","Mummadi, Suresh; Unruh, Daniel K.; Zhao, Jiyang; Li, Shuhua; Krempner, Clemens","""Inverse"" Frustrated Lewis Pairs‒Activation of Dihydrogen with Organosuperbases and Moderate to Weak Lewis Acids.","Journal of the American Chemical Society","2016","138","10","3286","3289","10.1021/jacs.5b13545","","","0.71073","MoKα","","0.0496","0.0428","","","0.1142","0.1209","","","","","","1.054","","","","has coordinates,has disorder","240658","2020-10-21","18:00:00",""
"4130076","10.6056","0.0007","11.5564","0.0008","15.585","0.001","82.8305","0.001","83.6334","0.001","83.687","0.001","1874.5","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H50 O5 W -","- C42 H50 O5 W -","- C84 H100 O10 W2 -","2","1","","Gonsales, Stella A.; Kubo, Tomohiro; Flint, Madison K.; Abboud, Khalil A.; Sumerlin, Brent S.; Veige, Adam S.","Highly Tactic Cyclic Polynorbornene: Stereoselective Ring Expansion Metathesis Polymerization of Norbornene Catalyzed by a New Tethered Tungsten-Alkylidene Catalyst.","Journal of the American Chemical Society","2016","138","15","4996","4999","10.1021/jacs.6b00014","","","0.71073","MoKα","","0.0208","0.02","","","0.0518","0.0523","","","","","","1.09","","","","has coordinates,has disorder","240659","2020-10-21","18:00:00",""
"4130077","15.3264","0.0005","18.753","0.0006","18.9589","0.0006","90","","103.362","0.0006","90","","5301.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H72 O6 W2 -","- C62 H72 O6 W2 -","- C248 H288 O24 W8 -","4","1","","Gonsales, Stella A.; Kubo, Tomohiro; Flint, Madison K.; Abboud, Khalil A.; Sumerlin, Brent S.; Veige, Adam S.","Highly Tactic Cyclic Polynorbornene: Stereoselective Ring Expansion Metathesis Polymerization of Norbornene Catalyzed by a New Tethered Tungsten-Alkylidene Catalyst.","Journal of the American Chemical Society","2016","138","15","4996","4999","10.1021/jacs.6b00014","","","0.71073","MoKα","","0.0506","0.0287","","","0.0531","0.0573","","","","","","0.925","","","","has coordinates","240660","2020-10-21","18:00:00",""
"4130078","28.4649","0.0017","28.4649","0.0017","17.3837","0.0011","90","","90","","90","","14085.2","1.5","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C19 H23 N3 Ni -","- C19 H23 N3 Ni -","- C608 H736 N96 Ni32 -","32","2","","Xu, Hongwei; Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Zhang, Yingkai; Diao, Tianning","Bimetallic C-C Bond-Forming Reductive Elimination from Nickel.","Journal of the American Chemical Society","2016","138","14","4779","4786","10.1021/jacs.6b00016","","","0.71073","MoKα","","0.1147","0.0931","","","0.3106","0.3314","","","","","","1.6","","","","has coordinates,has disorder","240661","2020-10-21","18:00:00",""
"4130079","17.2307","0.001","12.1517","0.0006","14.5044","0.0008","90","","104.451","0.001","90","","2940.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 Ni O2 -","- C16 H18 N2 Ni O2 -","- C128 H144 N16 Ni8 O16 -","8","2","","Xu, Hongwei; Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Zhang, Yingkai; Diao, Tianning","Bimetallic C-C Bond-Forming Reductive Elimination from Nickel.","Journal of the American Chemical Society","2016","138","14","4779","4786","10.1021/jacs.6b00016","","","0.71073","MoKα","","0.0387","0.0317","","","0.0768","0.0804","","","","","","1.046","","","","has coordinates","240661","2020-10-21","18:00:00",""
"4130080","8.765","0.001","11.0263","0.0012","11.2797","0.0012","94.9041","0.0019","104.468","0.0016","93.8012","0.0018","1047.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N2 Ni O2 -","- C26 H22 N2 Ni O2 -","- C52 H44 N4 Ni2 O4 -","2","1","","Xu, Hongwei; Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Zhang, Yingkai; Diao, Tianning","Bimetallic C-C Bond-Forming Reductive Elimination from Nickel.","Journal of the American Chemical Society","2016","138","14","4779","4786","10.1021/jacs.6b00016","","","0.71073","MoKα","","0.0472","0.0318","","","0.063","0.0683","","","","","","1.03","","","","has coordinates,has disorder","240661","2020-10-21","18:00:00",""
"4130081","17.304","0.002","11.1832","0.0015","18.209","0.003","90","","114.263","0.002","90","","3212.4","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H41 N3 Ni -","- C39 H41 N3 Ni -","- C156 H164 N12 Ni4 -","4","1","","Xu, Hongwei; Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Zhang, Yingkai; Diao, Tianning","Bimetallic C-C Bond-Forming Reductive Elimination from Nickel.","Journal of the American Chemical Society","2016","138","14","4779","4786","10.1021/jacs.6b00016","","","0.71073","MoKα","","0.0941","0.0525","","","0.1173","0.1394","","","","","","1.029","","","","has coordinates","240661","2020-10-21","18:00:00",""
"4130082","12.3392","0.0014","15.9041","0.0018","14.8784","0.0017","90","","103.314","0.0016","90","","2841.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 N4 Ni -","- C34 H36 N4 Ni -","- C136 H144 N16 Ni4 -","4","1","","Xu, Hongwei; Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Zhang, Yingkai; Diao, Tianning","Bimetallic C-C Bond-Forming Reductive Elimination from Nickel.","Journal of the American Chemical Society","2016","138","14","4779","4786","10.1021/jacs.6b00016","","","0.71073","MoKα","","0.0604","0.0503","","","0.1438","0.1521","","","","","","1.044","","","","has coordinates","240661","2020-10-21","18:00:00",""
"4130083","10.695","0.003","15.081","0.004","33.05","0.008","90","","99.27","0.003","90","","5261","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 N6 Ni -","- C32 H30 N6 Ni -","- C256 H240 N48 Ni8 -","8","2","","Xu, Hongwei; Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Zhang, Yingkai; Diao, Tianning","Bimetallic C-C Bond-Forming Reductive Elimination from Nickel.","Journal of the American Chemical Society","2016","138","14","4779","4786","10.1021/jacs.6b00016","","","0.71073","MoKα","","0.0997","0.0736","","","0.1854","0.1994","","","","","","1.041","","","","has coordinates","240661","2020-10-21","18:00:00",""
"4130084","15.382","0.004","7.1655","0.0018","21.607","0.006","90","","90.107","0.003","90","","2381.5","1.1","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H35 Al N2 -","- C25 H35 Al N2 -","- C100 H140 Al4 N8 -","4","0.5","","Yang, Zhi; Zhong, Mingdong; Ma, Xiaoli; Nijesh, Karikkeeriyil; De, Susmita; Parameswaran, Pattiyil; Roesky, Herbert W.","An Aluminum Dihydride Working as a Catalyst in Hydroboration and Dehydrocoupling.","Journal of the American Chemical Society","2016","138","8","2548","2551","10.1021/jacs.6b00032","","","0.71073","MoKα","","0.0659","0.0563","","","0.1494","0.1597","","","","","","1.002","","","","has coordinates,has disorder","240662","2020-10-21","18:00:00",""
"4130085","8.8093","0.0014","18.443","0.002","31.202","0.005","90","","90","","90","","5069.4","1.3","293","2","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H28 N4 O4 -","- C27 H28 N4 O4 -","- C216 H224 N32 O32 -","8","1","","Dai, Jianxin; Wang, Minyan; Chai, Guobi; Fu, Chunling; Ma, Shengming","A Practical Solution to Stereodefined Tetrasubstituted Olefins.","Journal of the American Chemical Society","2016","138","8","2532","2535","10.1021/jacs.6b00051","","","0.71073","MoKα","","0.1528","0.0952","","","0.2182","0.2569","","","","","","1.04","","","","has coordinates","240663","2020-10-21","18:00:00",""
"4130086","18.0565","0.0014","9.8443","0.0008","13.4192","0.001","90","","128.544","0.001","90","","1865.6","0.3","145","2","145","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H26 F4 N4 O2 Zn -","- C14 H26 F4 N4 O2 Zn -","- C56 H104 F16 N16 O8 Zn4 -","4","0.5","","Xu, Long; Vicic, David A.","Direct Difluoromethylation of Aryl Halides via Base Metal Catalysis at Room Temperature.","Journal of the American Chemical Society","2016","138","8","2536","2539","10.1021/jacs.6b00053","","","0.71073","MoKα","","0.055","0.0519","","","0.1396","0.1427","","","","","","1.11","","","","has coordinates","240664","2020-10-21","18:00:00",""
"4130087","8.3717","0.0006","18.9906","0.0013","12.6955","0.0009","90","","101.361","0.002","90","","1978.8","0.2","145","2","145","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 F2 N2 Ni -","- C20 H26 F4 N2 Ni -","- C80 H104 F16 N8 Ni4 -","4","1","","Xu, Long; Vicic, David A.","Direct Difluoromethylation of Aryl Halides via Base Metal Catalysis at Room Temperature.","Journal of the American Chemical Society","2016","138","8","2536","2539","10.1021/jacs.6b00053","","","0.71073","MoKα","","0.0448","0.032","","","0.0759","0.0878","","","","","","1.156","","","","has coordinates","240664","2020-10-21","18:00:00",""
"4130088","19.681","0.008","11.242","0.004","24.5359","0.001","90","","90.623","0.006","90","","5428","3","93","2","93","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C58 H84 Si5 -","- C58 H84 Si5 -","- C232 H336 Si20 -","4","0.5","","Shintani, Ryo; Iino, Ryo; Nozaki, Kyoko","Rhodium-Catalyzed Stitching Reaction: Convergent Synthesis of Quinoidal Fused Oligosiloles.","Journal of the American Chemical Society","2016","138","11","3635","3638","10.1021/jacs.6b00082","","","0.71075","MoKα","","0.0654","0.0578","","","0.1245","0.1285","","","","","","1.119","","","","has coordinates","240665","2020-10-21","18:00:00",""
"4130089","8.4888","0.0016","14.564","0.003","17.222","0.003","90","","95.98","0.003","90","","2117.6","0.7","93","2","93","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Si -","- C26 H28 Si -","- C104 H112 Si4 -","4","1","","Shintani, Ryo; Iino, Ryo; Nozaki, Kyoko","Rhodium-Catalyzed Stitching Reaction: Convergent Synthesis of Quinoidal Fused Oligosiloles.","Journal of the American Chemical Society","2016","138","11","3635","3638","10.1021/jacs.6b00082","","","0.71075","MoKα","","0.0413","0.0401","","","0.0963","0.0977","","","","","","1.071","","","","has coordinates","240666","2020-10-21","18:00:00",""
"4130090","20.217","0.006","10.913","0.003","17.757","0.005","90","","102.872","0.004","90","","3819.2","1.9","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 Si3 -","- C42 H56 Si3 -","- C168 H224 Si12 -","4","0.5","","Shintani, Ryo; Iino, Ryo; Nozaki, Kyoko","Rhodium-Catalyzed Stitching Reaction: Convergent Synthesis of Quinoidal Fused Oligosiloles.","Journal of the American Chemical Society","2016","138","11","3635","3638","10.1021/jacs.6b00082","","","0.71075","MoKα","","0.0654","0.057","","","0.1228","0.1283","","","","","","1.108","","","","has coordinates","240667","2020-10-21","18:00:00",""
"4130091","5.0912","0.0003","8.9533","0.0005","23.0489","0.0012","90","","94.2965","0.0018","90","","1047.69","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 F3 N O3 -","- C10 H10 F3 N O3 -","- C40 H40 F12 N4 O12 -","4","1","","Nagamani, Chikkannagari; Liu, Huiying; Moore, Jeffrey S.","Mechanogeneration of Acid from Oxime Sulfonates.","Journal of the American Chemical Society","2016","138","8","2540","2543","10.1021/jacs.6b00097","","","1.54178","CuKα","","0.0576","0.0547","","","0.1225","0.1237","","","","","","1.179","","","","has coordinates","240668","2020-10-21","18:00:00",""
"4130092","24.3659","0.0011","10.1608","0.0005","7.6406","0.0003","90","","90","","90","","1891.64","0.15","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H8 F3 N O2 -","- C9 H8 F3 N O2 -","- C72 H64 F24 N8 O16 -","8","1","","Nagamani, Chikkannagari; Liu, Huiying; Moore, Jeffrey S.","Mechanogeneration of Acid from Oxime Sulfonates.","Journal of the American Chemical Society","2016","138","8","2540","2543","10.1021/jacs.6b00097","","","1.54178","CuKα","","0.0477","0.0476","","","0.1069","0.1071","","","","","","1.184","","","","has coordinates","240668","2020-10-21","18:00:00",""
"4130093","9.1636","0.0004","11.8078","0.0005","25.3656","0.001","95.096","0.002","100.04","0.002","90.1","0.002","2691.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 F6 N2 O8 S2 -","- C24 H18 F6 N2 O8 S2 -","- C96 H72 F24 N8 O32 S8 -","4","2","","Nagamani, Chikkannagari; Liu, Huiying; Moore, Jeffrey S.","Mechanogeneration of Acid from Oxime Sulfonates.","Journal of the American Chemical Society","2016","138","8","2540","2543","10.1021/jacs.6b00097","","","1.54178","CuKα","","0.0903","0.0713","","","0.1721","0.1836","","","","","","1.06","","","","has coordinates,has disorder","240668","2020-10-21","18:00:00",""
"4130094","9.8252","0.0001","9.8252","0.0001","34.0247","0.0006","90","","90","","120","","2844.51","0.06","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H22 F5 N O3 -","- C18 H22 F5 N O3 -","- C108 H132 F30 N6 O18 -","6","1","","Mahender Reddy, Karla; Bhimireddy, Eswar; Thirupathi, Barla; Breitler, Simon; Yu, Shunming; Corey, E. J.","Cationic Chiral Fluorinated Oxazaborolidines. More Potent, Second-Generation Catalysts for Highly Enantioselective Cycloaddition Reactions.","Journal of the American Chemical Society","2016","138","7","2443","2453","10.1021/jacs.6b00100","","","1.54178","CuKα","","0.0248","0.0234","","","0.0561","0.0567","","","","","","1.079","","","","has coordinates","240669","2020-10-21","18:00:00",""
"4130095","8.4957","0.0007","13.2816","0.001","14.4218","0.0011","90","","90","","90","","1627.3","0.2","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Fe N2 O -","- C19 H22 Fe N2 O -","- C76 H88 Fe4 N8 O4 -","4","1","","Gao, De-Wei; Gu, Qing; You, Shu-Li","An Enantioselective Oxidative C-H/C-H Cross-Coupling Reaction: Highly Efficient Method To Prepare Planar Chiral Ferrocenes.","Journal of the American Chemical Society","2016","138","8","2544","2547","10.1021/jacs.6b00127","","","0.71073","MoKα","","0.0311","0.0269","","","0.0629","0.0646","","","","","","0.999","","","","has coordinates","240670","2020-10-21","18:00:00",""
"4130096","6.883","0.004","10.729","0.006","27.388","0.015","90","","95.788","0.01","90","","2012","2","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H22 Cl Fe N S -","- C23 H22 Cl Fe N S -","- C92 H88 Cl4 Fe4 N4 S4 -","4","2","","Gao, De-Wei; Gu, Qing; You, Shu-Li","An Enantioselective Oxidative C-H/C-H Cross-Coupling Reaction: Highly Efficient Method To Prepare Planar Chiral Ferrocenes.","Journal of the American Chemical Society","2016","138","8","2544","2547","10.1021/jacs.6b00127","","","0.71073","MoKα","","0.0462","0.0396","","","0.0927","0.0954","","","","","","1.147","","","","has coordinates","240671","2020-10-21","18:00:00",""
"4130097","9.3232","0.0004","9.8579","0.0005","43.235","0.002","90","","90","","90","","3973.6","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H56 B2 F8 N6 -","- C36 H56 B2 F8 N6 -","- C144 H224 B8 F32 N24 -","4","1","","Dong, Shunxi; Frings, Marcus; Cheng, Hanchao; Wen, Jian; Zhang, Duo; Raabe, Gerhard; Bolm, Carsten","Organocatalytic Kinetic Resolution of Sulfoximines.","Journal of the American Chemical Society","2016","138","7","2166","2169","10.1021/jacs.6b00143","","","1.54178","CuKα","","0.044","0.044","","0.053","","0.053","","","1.004","","","1.007","","","","has coordinates","240672","2020-10-21","18:00:00",""
"4130098","11.527","0.002","11.527","0.002","9.5824","0.0019","90","","90","","90","","1273.2","0.4","100","2","100","2","","","","","","","","5","P 42 n m","P 4n -2n","102","","","","- C23 H44 Ir N P2 -","- C23 H44 Ir N P2 -","- C46 H88 Ir2 N2 P4 -","2","0.25","","Feller, Moran; Gellrich, Urs; Anaby, Aviel; Diskin-Posner, Yael; Milstein, David","Reductive Cleavage of CO2 by Metal-Ligand-Cooperation Mediated by an Iridium Pincer Complex.","Journal of the American Chemical Society","2016","138","20","6445","6454","10.1021/jacs.6b00202","","","0.71073","MoKα","","0.0279","0.0231","","","0.0447","0.0458","","","","","","1.258","","","","has coordinates,has disorder","240674","2020-10-21","18:00:00",""
"4130099","12.2328","0.0003","15.8577","0.0004","16.0723","0.0004","90","","90","","90","","3117.77","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H50 Ir N O5 P2 -","- C28 H50 Ir N O5 P2 -","- C112 H200 Ir4 N4 O20 P8 -","4","1","","Feller, Moran; Gellrich, Urs; Anaby, Aviel; Diskin-Posner, Yael; Milstein, David","Reductive Cleavage of CO2 by Metal-Ligand-Cooperation Mediated by an Iridium Pincer Complex.","Journal of the American Chemical Society","2016","138","20","6445","6454","10.1021/jacs.6b00202","","","0.71073","MoKα","","0.0296","0.0252","","","0.0478","0.0491","","","","","","0.949","","","","has coordinates","240674","2020-10-21","18:00:00",""
"4130100","16.6996","0.0004","15.2679","0.0003","16.3378","0.0004","90","","116.667","0.003","90","","3722.52","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H50 Cl6 Ir N O4 P2 -","- C28 H50 Cl6 Ir N O4 P2 -","- C112 H200 Cl24 Ir4 N4 O16 P8 -","4","1","","Feller, Moran; Gellrich, Urs; Anaby, Aviel; Diskin-Posner, Yael; Milstein, David","Reductive Cleavage of CO2 by Metal-Ligand-Cooperation Mediated by an Iridium Pincer Complex.","Journal of the American Chemical Society","2016","138","20","6445","6454","10.1021/jacs.6b00202","","","0.71073","MoKα","","0.0272","0.0233","","","0.0551","0.0563","","","","","","1.075","","","","has coordinates,has disorder","240674","2020-10-21","18:00:00",""
"4130101","37.2012","0.0009","37.2012","0.0009","37.2012","0.0009","90","","90","","90","","51484","2","100","","100","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C216 H96 Cl6 Fe27 N144 O24 -","- C216 H96 Cl6 Fe24 N144 O24 -","- C864 H384 Cl24 Fe96 N576 O96 -","4","0.0208333","","Reed, Douglas A.; Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Herm, Zoey R.; Grandjean, Fernande; Long, Jeffrey R.","Reversible CO Scavenging via Adsorbate-Dependent Spin State Transitions in an Iron(II)-Triazolate Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","17","5594","5602","10.1021/jacs.6b00248","","","0.7749","synchrotron","","0.0439","0.0405","","","0.1272","0.1292","","","","","","1.077","","","","has coordinates","240675","2020-10-21","18:00:00",""
"4130102","38.068","0.0011","38.068","0.0011","38.068","0.0011","90","","90","","90","","55167","3","100","","100","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C264 H240 Cl6 Fe27 N168 O24 -","- C216 H120 Cl6 Fe24 N168 O24 -","- C864 H480 Cl24 Fe96 N672 O96 -","4","0.0208333","","Reed, Douglas A.; Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Herm, Zoey R.; Grandjean, Fernande; Long, Jeffrey R.","Reversible CO Scavenging via Adsorbate-Dependent Spin State Transitions in an Iron(II)-Triazolate Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","17","5594","5602","10.1021/jacs.6b00248","","","0.7749","synchrotron","","0.0556","0.0505","","","0.1595","0.1651","","","","","","1.12","","","","has coordinates,has disorder","240676","2020-10-21","18:00:00",""
"4130103","10.29","0.004","12.272","0.004","12.856","0.004","81.821","0.014","80.193","0.014","69.109","0.012","1488.7","0.9","103.15","","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H45 B N2 O -","- C33 H45 B N2 O -","- C66 H90 B2 N4 O2 -","2","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.7107","MoKα","","0.066","0.0531","","","0.1257","0.1342","","","","","","1.063","","","","has coordinates,has disorder","240677","2020-10-21","18:00:00",""
"4130104","14.976","0.005","12.583","0.005","16.265","0.006","90","","91.2967","0.0018","90","","3064","2","103.15","","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 B N2 O -","- C33 H45 B N2 O -","- C132 H180 B4 N8 O4 -","4","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.7107","MoKα","","0.1102","0.0835","","","0.1506","0.1633","","","","","","1.227","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4130105","20.296","0.016","20.622","0.014","17.131","0.013","90","","115.831","0.009","90","","6454","8","93.15","","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H96 B2 Li2 N4 O3 -","- C70 H96 B2 Li2 N4 O3 -","- C280 H384 B8 Li8 N16 O12 -","4","0.5","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.1992","0.0998","","","0.2033","0.242","","","","","","1.02","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4130106","20.625","0.012","20.977","0.01","17.1","0.009","90","","117.341","0.01","90","","6572","6","93.15","","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73 H96 B2 Li2 N4 O2 -","- C73 H96 B2 Li2 N4 O2 -","- C292 H384 B8 Li8 N16 O8 -","4","0.5","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.1352","0.1003","","","0.2066","0.2287","","","","","","1.204","","","","has coordinates,has disorder","240677","2020-10-21","18:00:00",""
"4130107","17.16","0.008","12.447","0.005","18.046","0.007","90","","116.401","0.007","90","","3452","3","93.15","","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H53 B N2 O Si -","- C36 H53 B N2 O Si -","- C144 H212 B4 N8 O4 Si4 -","4","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.1141","0.0808","","","0.1584","0.1748","","","","","","1.138","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4130108","9.434","0.005","9.442","0.005","18.382","0.009","83.43","0.02","76.38","0.02","77.01","0.02","1547.4","1.4","103.15","","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H47 B N2 O -","- C34 H47 B N2 O -","- C68 H94 B2 N4 O2 -","2","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.1889","0.1017","","","0.2251","0.2933","","","","","","1.106","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4130109","15.408","0.003","11.14","0.002","18.912","0.004","90","","93.473","0.005","90","","3240.2","1.1","93.15","","93","2","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","","","- C36 H49 B N2 O -","- C36 H49 B N2 O -","- C144 H196 B4 N8 O4 -","4","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.171","0.0954","","","0.2129","0.2619","","","","","","1.095","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4130110","10.399","0.002","12.57","0.002","12.868","0.003","80.845","0.012","78.888","0.01","66.991","0.008","1512.7","0.5","93.15","","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H44 B F N2 O -","- C33 H44 B F N2 O -","- C66 H88 B2 F2 N4 O2 -","2","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.0969","0.0562","","","0.1233","0.1447","","","","","","0.927","","","","has coordinates,has disorder","240677","2020-10-21","18:00:00",""
"4130111","12.153","0.003","13.653","0.003","18.121","0.004","90","","90","","90","","3006.7","1.2","93.15","","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 B F N2 O -","- C33 H42 B F N2 O -","- C132 H168 B4 F4 N8 O4 -","4","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.0586","0.0507","","","0.1186","0.1255","","","","","","1.034","","","","has coordinates,has disorder","240677","2020-10-21","18:00:00",""
"4130112","12.868","0.007","13.76","0.008","18.432","0.01","101.98","0.006","101.462","0.01","101.586","0.008","3027","3","93.15","","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H44 B F N2 O -","- C33 H44 B F N2 O -","- C132 H176 B4 F4 N8 O4 -","4","2","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.1556","0.0973","","","0.2086","0.2519","","","","","","1.072","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4130113","11.941","0.005","13.3","0.005","18.914","0.008","90","","90","","90","","3004","2","93.15","","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 B F N2 O -","- C33 H42 B F N2 O -","- C132 H168 B4 F4 N8 O4 -","4","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.1074","0.0796","","","0.17","0.1899","","","","","","1.076","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4130114","9.766","0.002","9.648","0.002","14.138","0.003","90","","110","0.02","90","","1251.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H44 Cl2 Mg2 N2 O2 -","- C20 H44 Cl2 Mg2 N2 O2 -","- C40 H88 Cl4 Mg4 N4 O4 -","2","0.5","","Neufeld, Roman; Teuteberg, Thorsten L.; Herbst-Irmer, Regine; Mata, Ricardo A.; Stalke, Dietmar","Solution Structures of Hauser Base (i)Pr2NMgCl and Turbo-Hauser Base (i)Pr2NMgCl·LiCl in THF and the Influence of LiCl on the Schlenk-Equilibrium.","Journal of the American Chemical Society","2016","138","14","4796","4806","10.1021/jacs.6b00345","","","0.71073","MoKα","","0.0366","0.03","","","0.0752","0.0796","","","","","","1.067","","","","has coordinates,has disorder","240678","2020-10-21","18:00:00",""
"4130115","8.1845","0.0008","10.3787","0.001","11.7173","0.0012","116.156","0.003","99.215","0.003","95.524","0.003","866.09","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C40 H42 N2 O4 S2 -","2","1","","Feng, Jian-Jun; Lin, Tao-Yan; Zhu, Chao-Ze; Wang, Huamin; Wu, Hai-Hong; Zhang, Junliang","The Divergent Synthesis of Nitrogen Heterocycles by Rhodium(I)-Catalyzed Intermolecular Cycloadditions of Vinyl Aziridines and Alkynes.","Journal of the American Chemical Society","2016","138","7","2178","2181","10.1021/jacs.6b00386","","","0.71073","MoKα","","0.0693","0.046","","","0.1079","0.1234","","","","","","1.024","","","","has coordinates","240679","2020-10-21","18:00:00",""
"4130116","12.0001","0.0012","7.6608","0.0012","12.186","0.002","90","","114.84","0.004","90","","1016.6","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C48 H46 N2 O4 S2 -","2","1","","Feng, Jian-Jun; Lin, Tao-Yan; Zhu, Chao-Ze; Wang, Huamin; Wu, Hai-Hong; Zhang, Junliang","The Divergent Synthesis of Nitrogen Heterocycles by Rhodium(I)-Catalyzed Intermolecular Cycloadditions of Vinyl Aziridines and Alkynes.","Journal of the American Chemical Society","2016","138","7","2178","2181","10.1021/jacs.6b00386","","","0.71073","MoKα","","0.0461","0.0354","","","0.0783","0.0839","","","","","","1.029","","","","has coordinates","240680","2020-10-21","18:00:00",""
"4130117","10.9584","0.0005","11.099","0.0005","15.2278","0.0007","75.3898","0.0016","76.1879","0.0016","70.6752","0.0015","1666.62","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H35 Cl2 I3 -","- C34 H35 Cl2 I3 -","- C68 H70 Cl4 I6 -","2","1","","Lee, Semin; Yang, Anna; Moneypenny, 2nd, Timothy P; Moore, Jeffrey S.","Kinetically Trapped Tetrahedral Cages via Alkyne Metathesis.","Journal of the American Chemical Society","2016","138","7","2182","2185","10.1021/jacs.6b00468","","","0.71073","MoKα","","0.0198","0.0177","","","0.0393","0.0402","","","","","","1.119","","","","has coordinates,has disorder","240681","2020-10-21","18:00:00",""
"4130118","18.9935","0.0005","18.9935","0.0005","50.612","0.003","90","","90","","90","","18258.4","1.3","200","2","200","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C148 H136 Cl12 -","- C148 H136 Cl12 -","- C592 H544 Cl48 -","4","0.25","","Lee, Semin; Yang, Anna; Moneypenny, 2nd, Timothy P; Moore, Jeffrey S.","Kinetically Trapped Tetrahedral Cages via Alkyne Metathesis.","Journal of the American Chemical Society","2016","138","7","2182","2185","10.1021/jacs.6b00468","","","1.2399","synchrotron","","0.106","0.0881","","","0.2624","0.2817","","","","","","1.083","","","","has coordinates,has disorder","240682","2020-10-21","18:00:00",""
"4130119","14.283","0.005","14.834","0.005","16.192","0.005","90","0.005","90","0.005","90","0.005","3431","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 F2 Ni O4 P2 -","- C34 H44 F2 Ni O4 P2 -","- C136 H176 F8 Ni4 O16 P8 -","4","1","","Shevlin, Michael; Friedfeld, Max R.; Sheng, Huaming; Pierson, Nicholas A.; Hoyt, Jordan M.; Campeau, Louis-Charles; Chirik, Paul J.","Nickel-Catalyzed Asymmetric Alkene Hydrogenation of α,β-Unsaturated Esters: High-Throughput Experimentation-Enabled Reaction Discovery, Optimization, and Mechanistic Elucidation.","Journal of the American Chemical Society","2016","138","10","3562","3569","10.1021/jacs.6b00519","","","0.71073","MoKα","","0.0678","0.046","","","0.1101","0.1207","","","","","","1.034","","","","has coordinates","240683","2020-10-21","18:00:00",""
"4130120","12.5333","0.0003","7.8729","0.0002","16.2274","0.0004","90","","91.735","0.001","90","","1600.48","0.07","180.45","","180.45","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","1","","Mitra, Nirmal K.; Meudom, Rolande; Corzo, Hector H.; Gorden, John D.; Merner, Bradley L.","Overcoming Strain-Induced Rearrangement Reactions: A Mild Dehydrative Aromatization Protocol for Synthesis of Highly Distorted p-Phenylenes.","Journal of the American Chemical Society","2016","138","9","3235","3240","10.1021/jacs.6b00538","","","0.71073","MoKα","","0.0984","0.0682","","","0.156","0.1826","","","","","","1.0987","","","","has coordinates","240684","2020-10-21","18:00:00",""
"4130121","19.549","0.002","8.1172","0.0008","19.927","0.002","90","","90","","90","","3162.1","0.5","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","34","1,5-dioxa[5](3,3"")p-terphenylophane","","- C21 H18 O2 -","- C21 H18 O2 -","- C168 H144 O16 -","8","1","","Mitra, Nirmal K.; Meudom, Rolande; Corzo, Hector H.; Gorden, John D.; Merner, Bradley L.","Overcoming Strain-Induced Rearrangement Reactions: A Mild Dehydrative Aromatization Protocol for Synthesis of Highly Distorted p-Phenylenes.","Journal of the American Chemical Society","2016","138","9","3235","3240","10.1021/jacs.6b00538","","","0.71073","MoKα","","0.0725","0.0602","","","0.107","0.112","","","","","","1.212","","","","has coordinates","240685","2020-10-21","18:00:00",""
"4130122","14.7663","0.0012","26.944","0.002","24.182","0.002","90","","101.593","0.003","90","","9424.9","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C87.5 H119.5 N14 O21 Zn4 -","- C86 H116 N14 O21 Zn4 -","- C344 H464 N56 O84 Zn16 -","4","1","","Zhang, Huacheng; Lee, Juhoon; Lammer, Aaron D.; Chi, Xiaodong; Brewster, James T.; Lynch, Vincent M.; Li, Hao; Zhang, Zhan; Sessler, Jonathan L.","Self-Assembled Pyridine-Dipyrrolate Cages.","Journal of the American Chemical Society","2016","138","13","4573","4579","10.1021/jacs.6b00564","","","0.71073","MoKα","","0.0757","0.0544","","","0.0936","0.1","","","","","","1.084","","","","has coordinates","240686","2020-10-21","18:00:00",""
"4130123","4.9105","0.0019","10.503","0.004","24.057","0.01","85.058","0.01","88.604","0.008","88.473","0.011","1235.4","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 N4 O5 -","- C26 H34 N4 O5 -","- C52 H68 N8 O10 -","2","1","","Zhang, Huacheng; Lee, Juhoon; Lammer, Aaron D.; Chi, Xiaodong; Brewster, James T.; Lynch, Vincent M.; Li, Hao; Zhang, Zhan; Sessler, Jonathan L.","Self-Assembled Pyridine-Dipyrrolate Cages.","Journal of the American Chemical Society","2016","138","13","4573","4579","10.1021/jacs.6b00564","","","0.71073","MoKα","","0.1119","0.0639","","","0.1339","0.1529","","","","","","1.079","","","","has coordinates","240687","2020-10-21","18:00:00",""
"4130124","18.156","0.003","9.0535","0.0012","25.803","0.004","90","","106.877","0.004","90","","4058.7","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H65 Cl N4 O5 -","- C39.04 H64.1 N4 O5 -","- C156.16 H256.4 N16 O20 -","4","1","","Zhang, Huacheng; Lee, Juhoon; Lammer, Aaron D.; Chi, Xiaodong; Brewster, James T.; Lynch, Vincent M.; Li, Hao; Zhang, Zhan; Sessler, Jonathan L.","Self-Assembled Pyridine-Dipyrrolate Cages.","Journal of the American Chemical Society","2016","138","13","4573","4579","10.1021/jacs.6b00564","","","0.71073","MoKα","","0.0602","0.0513","","","0.1266","0.1327","","","","","","1.009","","","","has coordinates,has disorder","240688","2020-10-21","18:00:00",""
"4130125","15.916","0.005","18.83","0.006","19.364","0.006","105.094","0.004","103.903","0.004","91.781","0.005","5412","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C209 H267 N33 O41 Zn8 -","- C209 H267 N33 O41 Zn8 -","- C209 H267 N33 O41 Zn8 -","1","0.5","","Zhang, Huacheng; Lee, Juhoon; Lammer, Aaron D.; Chi, Xiaodong; Brewster, James T.; Lynch, Vincent M.; Li, Hao; Zhang, Zhan; Sessler, Jonathan L.","Self-Assembled Pyridine-Dipyrrolate Cages.","Journal of the American Chemical Society","2016","138","13","4573","4579","10.1021/jacs.6b00564","","","1.54184","CuKα","","0.0428","0.0338","","","0.0831","0.088","","","","","","0.977","","","","has coordinates,has disorder","240689","2020-10-21","18:00:00",""
"4130126","18.3255","0.0006","9.8329","0.0003","21.8331","0.0007","90","","113.534","0.002","90","","3606.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H45 I N2 O7 -","- C38 H45 I N2 O7 -","- C152 H180 I4 N8 O28 -","4","1","","Cai, Lingchao; Zhang, Kui; Kwon, Ohyun","Catalytic Asymmetric Total Synthesis of (-)-Actinophyllic Acid.","Journal of the American Chemical Society","2016","138","10","3298","3301","10.1021/jacs.6b00567","","","1.54178","CuKα","","0.0555","0.0475","","","0.1262","0.1301","","","","","","1.096","","","","has coordinates","240690","2020-10-21","18:00:00",""
"4130127","9.1811","0.0002","11.1546","0.0002","11.7517","0.0002","94.3941","0.0008","97.2458","0.0008","92.0699","0.0008","1189.11","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O7 -","- C26 H30 N2 O7 -","- C52 H60 N4 O14 -","2","1","","Cai, Lingchao; Zhang, Kui; Kwon, Ohyun","Catalytic Asymmetric Total Synthesis of (-)-Actinophyllic Acid.","Journal of the American Chemical Society","2016","138","10","3298","3301","10.1021/jacs.6b00567","","","1.54178","CuKα","","0.0392","0.0349","","","0.0845","0.0874","","","","","","1.04","","","","has coordinates","240691","2020-10-21","18:00:00",""
"4130128","10.28646","0.00011","13.11062","0.00016","18.6124","0.0002","90","","90","","90","","2510.1","0.05","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 O S -","- C17 H12 O S -","- C136 H96 O8 S8 -","8","2","","Kathayat, Rahul S.; Yang, Lijun; Sattasathuchana, Tosaporn; Zoppi, Laura; Baldridge, Kim K.; Linden, Anthony; Finney, Nathaniel S.","On the Origins of Nonradiative Excited State Relaxation in Aryl Sulfoxides Relevant to Fluorescent Chemosensing.","Journal of the American Chemical Society","2016","138","49","15889","15895","10.1021/jacs.6b00572","","","0.71073","MoKα","","0.0346","0.0315","","","0.0804","0.0832","","","","","","1.036","","","","has coordinates","240692","2020-10-21","18:00:00",""
"4130129","14.1029","0.0002","10.42061","0.00015","16.6896","0.0002","90","","90","","90","","2452.72","0.06","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H12 O S -","- C17 H12 O S -","- C136 H96 O8 S8 -","8","1","","Kathayat, Rahul S.; Yang, Lijun; Sattasathuchana, Tosaporn; Zoppi, Laura; Baldridge, Kim K.; Linden, Anthony; Finney, Nathaniel S.","On the Origins of Nonradiative Excited State Relaxation in Aryl Sulfoxides Relevant to Fluorescent Chemosensing.","Journal of the American Chemical Society","2016","138","49","15889","15895","10.1021/jacs.6b00572","","","0.71073","MoKα","","0.0431","0.0354","","","0.0952","0.1009","","","","","","1.042","","","","has coordinates","240692","2020-10-21","18:00:00",""
"4130130","12.6972","0.0006","12.3023","0.0004","15.4558","0.0008","90","","113.068","0.004","90","","2221.23","0.18","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 F3 Fe N9 O4 S -","- C19 H20 F3 Fe N9 O4 S -","- C76 H80 F12 Fe4 N36 O16 S4 -","4","1","","Kupper, Claudia; Rees, Julian A.; Dechert, Sebastian; DeBeer, Serena; Meyer, Franc","Complete Series of {FeNO}(8), {FeNO}(7), and {FeNO}(6) Complexes Stabilized by a Tetracarbene Macrocycle.","Journal of the American Chemical Society","2016","138","25","7888","7898","10.1021/jacs.6b00584","","","0.71073","MoKα","","0.0468","0.0386","","","0.0988","0.1025","","","","","","1.047","","","","has coordinates","240693","2020-10-21","18:00:00",""
"4130131","10.1194","0.0009","11.5579","0.001","13.5781","0.0011","74.854","0.007","86.99","0.007","67.327","0.007","1412.4","0.2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20 F6 Fe N10 O9 S2 -","- C20 H20 F6 Fe N10 O9 S2 -","- C40 H40 F12 Fe2 N20 O18 S4 -","2","1","","Kupper, Claudia; Rees, Julian A.; Dechert, Sebastian; DeBeer, Serena; Meyer, Franc","Complete Series of {FeNO}(8), {FeNO}(7), and {FeNO}(6) Complexes Stabilized by a Tetracarbene Macrocycle.","Journal of the American Chemical Society","2016","138","25","7888","7898","10.1021/jacs.6b00584","","","0.71073","MoKα","","0.0973","0.0592","","","0.1007","0.1106","","","","","","1.056","","","","has coordinates","240693","2020-10-21","18:00:00",""
"4130132","29.896","0.0007","29.896","0.0007","29.896","0.0007","90","","90","","90","","26720.2","1.1","293","2","293","2","","","","","","","","4","F m -3","-F 2 2 3","202","","","","- C0 H0 O228 Ti84 -","- O228 Ti84 -","- O456 Ti168 -","2","0.0208333","","Gao, Mei-Yan; Wang, Fei; Gu, Zhi-Gang; Zhang, De-Xiang; Zhang, Lei; Zhang, Jian","Fullerene-like Polyoxotitanium Cage with High Solution Stability.","Journal of the American Chemical Society","2016","138","8","2556","2559","10.1021/jacs.6b00613","","","1.54178","CuKα","","0.1761","0.1244","","","0.3063","0.348","","","","","","0.909","","","","has coordinates","240694","2020-10-21","18:00:00",""
"4130133","7.8819","0.0008","12.8093","0.0013","14.6769","0.0015","90","","90","","90","","1481.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Liang, Xiao; Jiang, Shi-Zhi; Wei, Kun; Yang, Yu-Rong","Enantioselective Total Synthesis of (-)-Alstoscholarisine A.","Journal of the American Chemical Society","2016","138","8","2560","2562","10.1021/jacs.6b00625","","","0.71073","MoKα","","0.0402","0.035","","","0.0855","0.0884","","","","","","1.054","","","","has coordinates","240695","2020-10-21","18:00:00",""
"4130134","30.4471","0.0019","30.4471","0.0019","21.8623","0.0014","90","","90","","90","","20267","2","192","2","192","2","","","","","","","","7","P 4/m n c","-P 4 2n","128","","","","- C264 H236 Cl6 Co20 N8 O52 S16 -","- C264 H236 Cl6 Co20 N8 O52 S16 -","- C528 H472 Cl12 Co40 N16 O104 S32 -","2","0.125","","Hang, Xinxin; Liu, Bing; Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping; Liu, Yunling; Hu, Chunhua","Discrete {Ni40} Coordination Cage: A Calixarene-Based Johnson-Type (J17) Hexadecahedron.","Journal of the American Chemical Society","2016","138","9","2969","2972","10.1021/jacs.6b00695","","","0.71073","MoKα","","0.1101","0.0615","","","0.1864","0.2141","","","","","","1.064","","","","has coordinates,has disorder","240696","2020-10-21","18:00:00",""
"4130135","36.664","0.007","34.101","0.006","46.617","0.008","90","","92.414","0.002","90","","58233","18","296","2","296","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C626.14 H574.08 Cl6 N18.73 Ni40 O115.47 S40 -","- C626.146 H574.084 Cl6 N18.7282 Ni40 O115.477 S40 -","- C1252.29 H1148.17 Cl12 N37.4564 Ni80 O230.954 S80 -","2","0.5","","Hang, Xinxin; Liu, Bing; Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping; Liu, Yunling; Hu, Chunhua","Discrete {Ni40} Coordination Cage: A Calixarene-Based Johnson-Type (J17) Hexadecahedron.","Journal of the American Chemical Society","2016","138","9","2969","2972","10.1021/jacs.6b00695","","","0.71073","MoKα","","0.1141","0.0667","","","0.1938","0.2156","","","","","","1.063","","","","has coordinates,has disorder","240697","2020-10-21","18:00:00",""
"4130136","12.0773","0.0007","13.7901","0.0009","16.7455","0.0009","69.605","0.003","74.537","0.003","72.549","0.003","2452.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","119","","","- C54.4 H43.61 B F15 N3 O Re -","- C54.398 H43.612 B F15 N3 O Re -","- C108.796 H87.224 B2 F30 N6 O2 Re2 -","2","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Transition-Metal Oxos as the Lewis Basic Component of Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","14","4832","4842","10.1021/jacs.6b00705","","","0.71073","MoKα","","0.0356","0.0248","","","0.0464","0.0488","","","","","","1.018","","","","has coordinates,has disorder","240698","2020-10-21","18:00:00",""
"4130137","24.5115","0.0007","24.6966","0.0009","18.6378","0.0006","90","","90","","90","","11282.4","0.6","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","FLP2","","","- C31 H29 F5 N3 O Re -","- C31 H29 F5 N3 O Re -","- C496 H464 F80 N48 O16 Re16 -","16","2","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Transition-Metal Oxos as the Lewis Basic Component of Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","14","4832","4842","10.1021/jacs.6b00705","","","0.71073","MoKα","","0.0479","0.0293","","","0.0523","0.0572","","","","","","1.028","","","","has coordinates","240698","2020-10-21","18:00:00",""
"4130138","16.2377","0.0003","16.2377","0.0003","36.5045","0.0007","90","","90","","90","","9624.9","0.3","150","2","150","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C50 H37 B F15 N3 O Re -","- C46.5 H33 B F15 N3 O Re -","- C372 H264 B8 F120 N24 O8 Re8 -","8","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Transition-Metal Oxos as the Lewis Basic Component of Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","14","4832","4842","10.1021/jacs.6b00705","","","0.71073","MoKα","","0.033","0.0299","","","0.0683","0.0695","","","","","","1.103","","","","has coordinates,has disorder","240698","2020-10-21","18:00:00",""
"4130139","15.8657","0.0017","20.21","0.002","8.2946","0.0008","90","","102.559","0.004","90","","2596","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H17 F4 Ir N2 O4 -","- C33 H17 F4 Ir N2 O4 -","- C132 H68 F16 Ir4 N8 O16 -","4","1","","Chen, Tsun-Ren; Wu, Fang-Siou; Lee, Hsiu-Pen; Chen, Kelvin H.-C.","Diiridium Bimetallic Complexes Function as a Redox Switch To Directly Split Carbonate into Carbon Monoxide and Oxygen.","Journal of the American Chemical Society","2016","138","11","3643","3646","10.1021/jacs.6b00715","","x-ray","0.71073","MoKα","","0.0964","0.0731","","","0.1817","0.2109","","","","","","1.083","","","","has coordinates","240699","2020-10-21","18:00:00",""
"4130140","14.2793","0.0004","16.5304","0.0005","23.6","0.0008","90","","90","","90","","5570.6","0.3","150","2","150","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C54 H28 Cl4 F8 Ir2 N4 O6 -","- C54 H28 Cl4 F8 Ir2 N4 O6 -","- C216 H112 Cl16 F32 Ir8 N16 O24 -","4","0.25","","Chen, Tsun-Ren; Wu, Fang-Siou; Lee, Hsiu-Pen; Chen, Kelvin H.-C.","Diiridium Bimetallic Complexes Function as a Redox Switch To Directly Split Carbonate into Carbon Monoxide and Oxygen.","Journal of the American Chemical Society","2016","138","11","3643","3646","10.1021/jacs.6b00715","","x-ray","0.71073","MoKα","","0.052","0.0406","","","0.0796","0.0842","","","","","","1.159","","","","has coordinates","240700","2020-10-21","18:00:00",""
"4130141","14.485","0.003","32.392","0.008","20.582","0.005","90","","103.16","0.004","90","","9403","4","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H122 B2 N4 O14 -","- C108 H122 B2 N4 O14 -","- C432 H488 B8 N16 O56 -","4","0.5","","Suzuki, Yoshimasa; Nakamura, Taiki; Iida, Hiroki; Ousaka, Naoki; Yashima, Eiji","Allosteric Regulation of Unidirectional Spring-like Motion of Double-Stranded Helicates.","Journal of the American Chemical Society","2016","138","14","4852","4859","10.1021/jacs.6b00787","","","0.71075","MoKa","","0.217","0.1769","","","0.354","0.3775","","","","","","1.23","","","","has coordinates,has disorder","240701","2020-10-21","18:00:00",""
"4130142","16.291","0.002","15.03","0.002","24.604","0.004","90","","102.476","0.002","90","","5882.1","1.4","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C122 H156 B2 N6 O12 -","- C122 H156 B2 N6 O12 -","- C244 H312 B4 N12 O24 -","2","1","","Suzuki, Yoshimasa; Nakamura, Taiki; Iida, Hiroki; Ousaka, Naoki; Yashima, Eiji","Allosteric Regulation of Unidirectional Spring-like Motion of Double-Stranded Helicates.","Journal of the American Chemical Society","2016","138","14","4852","4859","10.1021/jacs.6b00787","","","0.71075","MoKα","","0.1649","0.1161","","","0.2697","0.3025","","","","","","1.111","","","","has coordinates,has disorder","275202","2022-05-07","03:29:12",""
"4130143","10.2462","0.0004","21.4566","0.0009","22.8408","0.0009","90","","96.132","0.002","90","","4992.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Cu2(NCCH3)DPFN](PF6)2,2.5(C6H5NO2)","","","- C47 H35.5 Cu2 F14 N9.5 O5 P2 -","- C47.078 H35.565 Cu2 F14 N9.487 O4.974 P2 -","- C188.312 H142.26 Cu8 F56 N37.948 O19.896 P8 -","4","1","","Ziegler, Micah S.; Levine, Daniel S.; Lakshmi, K. V.; Tilley, T. Don","Aryl Group Transfer from Tetraarylborato Anions to an Electrophilic Dicopper(I) Center and Mixed-Valence μ-Aryl Dicopper(I,II) Complexes.","Journal of the American Chemical Society","2016","138","20","6484","6491","10.1021/jacs.6b00802","","","0.71073","MoKα","","0.0419","0.0355","","","0.0935","0.0981","","","","","","1.038","","","","has coordinates,has disorder","240703","2020-10-21","18:00:00",""
"4130144","9.9438","0.0003","16.1553","0.0005","20.9439","0.0006","87.583","0.001","76.604","0.001","75.168","0.001","3163.41","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Cu2(Ph)DPFN]BPh4,3(o-C6H4F2)","","","- C78 H57 B Cu2 F8 N6 -","- C78 H57 B Cu2 F8 N6 -","- C156 H114 B2 Cu4 F16 N12 -","2","1","","Ziegler, Micah S.; Levine, Daniel S.; Lakshmi, K. V.; Tilley, T. Don","Aryl Group Transfer from Tetraarylborato Anions to an Electrophilic Dicopper(I) Center and Mixed-Valence μ-Aryl Dicopper(I,II) Complexes.","Journal of the American Chemical Society","2016","138","20","6484","6491","10.1021/jacs.6b00802","","","0.71073","MoKα","","0.0468","0.0398","","","0.0982","0.103","","","","","","1.022","","","","has coordinates,has disorder","240703","2020-10-21","18:00:00",""
"4130145","20.3441","0.001","21.4651","0.0011","20.4182","0.001","90","","112.805","0.002","90","","8219.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu2((3,5-CF3)C6H3))DPFN]BArF24,3(o-C6H4F2)","","","- C88 H47 B Cu2 F38 N6 -","- C88 H47 B Cu2 F38 N6 -","- C352 H188 B4 Cu8 F152 N24 -","4","1","","Ziegler, Micah S.; Levine, Daniel S.; Lakshmi, K. V.; Tilley, T. Don","Aryl Group Transfer from Tetraarylborato Anions to an Electrophilic Dicopper(I) Center and Mixed-Valence μ-Aryl Dicopper(I,II) Complexes.","Journal of the American Chemical Society","2016","138","20","6484","6491","10.1021/jacs.6b00802","","","1.54178","CuKα","","0.0794","0.0644","","","0.1753","0.1907","","","","","","1.022","","","","has coordinates,has disorder","240703","2020-10-21","18:00:00",""
"4130146","25.2803","0.0009","15.4022","0.0006","27.2625","0.001","90","","106.227","0.001","90","","10192.4","0.7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[Cu2(NCCH3)DPFN](NTf2)2,n(o-C6H4Cl2)","","","- C43.39 H27.78 Cl1.77 Cu2 F14 N9 O8 S4 -","- C43.398 H27.778 Cl1.772 Cu2 F14 N9 O8 S4 -","- C347.184 H222.224 Cl14.176 Cu16 F112 N72 O64 S32 -","8","1","","Ziegler, Micah S.; Levine, Daniel S.; Lakshmi, K. V.; Tilley, T. Don","Aryl Group Transfer from Tetraarylborato Anions to an Electrophilic Dicopper(I) Center and Mixed-Valence μ-Aryl Dicopper(I,II) Complexes.","Journal of the American Chemical Society","2016","138","20","6484","6491","10.1021/jacs.6b00802","","","0.71073","MoKα","","0.0488","0.0428","","","0.1135","0.1174","","","","","","1.066","","","","has coordinates,has disorder","240703","2020-10-21","18:00:00",""
"4130147","23.1071","0.0015","19.4719","0.0013","22.4403","0.0014","90","","91.37","0.003","90","","10093.9","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Cu2(Ph)DPFN](NTf2),2.5(C6H5F)","","","- C53 H37.5 Cu2 F10.5 N7 O4 S2 -","- C53 H37.5 Cu2 F10.5 N7 O4 S2 -","- C424 H300 Cu16 F84 N56 O32 S16 -","8","1","","Ziegler, Micah S.; Levine, Daniel S.; Lakshmi, K. V.; Tilley, T. Don","Aryl Group Transfer from Tetraarylborato Anions to an Electrophilic Dicopper(I) Center and Mixed-Valence μ-Aryl Dicopper(I,II) Complexes.","Journal of the American Chemical Society","2016","138","20","6484","6491","10.1021/jacs.6b00802","","","0.71073","MoKα","","0.0429","0.0356","","","0.0874","0.0929","","","","","","1.046","","","","has coordinates,has disorder","240703","2020-10-21","18:00:00",""
"4130148","12.678","0.0004","15.1192","0.0005","16.6712","0.0006","66.681","0.001","74.49","0.001","71.718","0.001","2748.56","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Cu2(Ph)DPFN](NTf2)2,n(o-C6H4F2)","","","- C40 H25 Cu2 F14 N8 O8 S4 -","- C40 H25 Cu2 F14 N8 O8 S4 -","- C80 H50 Cu4 F28 N16 O16 S8 -","2","1","","Ziegler, Micah S.; Levine, Daniel S.; Lakshmi, K. V.; Tilley, T. Don","Aryl Group Transfer from Tetraarylborato Anions to an Electrophilic Dicopper(I) Center and Mixed-Valence μ-Aryl Dicopper(I,II) Complexes.","Journal of the American Chemical Society","2016","138","20","6484","6491","10.1021/jacs.6b00802","","","0.71073","MoKα","","0.0649","0.0527","","","0.1324","0.1407","","","","","","1.053","","","","has coordinates,has disorder","240703","2020-10-21","18:00:00",""
"4130149","8.3517","0.0001","14.6007","0.0002","18.7457","0.0002","90","","90","","90","","2285.86","0.05","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4,4-dimethyl-3-oxo-1-(perfluorophenyl)-1,2-diphenyl-1,2,3,4- tetrahydrobenzo[c][1,5,2]diazaborinin-4-ium-1-uide","","- C27 H20 B F5 N2 O -","- C27 H20 B F5 N2 O -","- C108 H80 B4 F20 N8 O4 -","4","1","","Chernichenko, Konstantin; Lindqvist, Markus; Kótai, Bianka; Nieger, Martin; Sorochkina, Kristina; Pápai, Imre; Repo, Timo","Metal-Free sp(2)-C-H Borylation as a Common Reactivity Pattern of Frustrated 2-Aminophenylboranes.","Journal of the American Chemical Society","2016","138","14","4860","4868","10.1021/jacs.6b00819","","","1.54178","CuKα","","0.0389","0.037","","","0.0983","0.1001","","","","","","1.041","","","","has coordinates","240704","2020-10-21","18:00:00",""
"4130150","13.185","0.001","9.417","0.001","26.849","0.002","90","","93.44","0.01","90","","3327.6","0.5","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,2'-(thiophene-2,5-diylbis((perfluorophenyl)boranediyl))- bis(N,N-dimethylaniline)","","- C35 H29 B2 F10 N2 S -","- C35 H29 B2 F10 N2 S -","- C140 H116 B8 F40 N8 S4 -","4","1","","Chernichenko, Konstantin; Lindqvist, Markus; Kótai, Bianka; Nieger, Martin; Sorochkina, Kristina; Pápai, Imre; Repo, Timo","Metal-Free sp(2)-C-H Borylation as a Common Reactivity Pattern of Frustrated 2-Aminophenylboranes.","Journal of the American Chemical Society","2016","138","14","4860","4868","10.1021/jacs.6b00819","","","0.71073","MoKα","","0.0724","0.0545","","","0.1455","0.1584","","","","","","1.052","","","","has coordinates,has disorder","240704","2020-10-21","18:00:00",""
"4130151","19.18","0.0004","18.5354","0.0004","18.4087","0.0004","90","","115.643","0.001","90","","5899.9","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-([1,1'-biphenyl]-2-yl)-5-(2-(2,2,6,6-tetramethylpiperidin- 1-ium-1-yl)phenyl)-5H-dibenzo[b,d]borol-5-uide","","- C39 H40 B N -","- C39 H40 B N -","- C312 H320 B8 N8 -","8","2","","Chernichenko, Konstantin; Lindqvist, Markus; Kótai, Bianka; Nieger, Martin; Sorochkina, Kristina; Pápai, Imre; Repo, Timo","Metal-Free sp(2)-C-H Borylation as a Common Reactivity Pattern of Frustrated 2-Aminophenylboranes.","Journal of the American Chemical Society","2016","138","14","4860","4868","10.1021/jacs.6b00819","","","1.54178","CuKα","","0.0798","0.0583","","","0.1353","0.1464","","","","","","1.028","","","","has coordinates","240704","2020-10-21","18:00:00",""
"4130152","10.46","0.0007","12.8017","0.001","18.4489","0.0013","78.432","0.004","82.776","0.004","70.576","0.004","2277.8","0.3","100","2","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C91.33 H136 F6 N2 Nb2 O8 P4 S2 -","- C91.3 H135.94 F6 N2 Nb2 O8 P4 S2 -","- C91.3 H135.94 F6 N2 Nb2 O8 P4 S2 -","1","0.5","","Kurogi, Takashi; Carroll, Patrick J.; Mindiola, Daniel J.","A Terminally Bound Niobium Methylidyne.","Journal of the American Chemical Society","2016","138","13","4306","4309","10.1021/jacs.6b00830","","","0.71073","MoKα","","0.0688","0.0452","","","0.0985","0.1073","","","","","","1.047","","","","has coordinates","240705","2020-10-21","18:00:00",""
"4130153","12.3046","0.0012","12.9264","0.0013","15.7965","0.0015","112.094","0.005","104.837","0.005","90.285","0.005","2235.9","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H75 N Nb O P2 -","- C45 H75 N Nb O P2 -","- C90 H150 N2 Nb2 O2 P4 -","2","1","","Kurogi, Takashi; Carroll, Patrick J.; Mindiola, Daniel J.","A Terminally Bound Niobium Methylidyne.","Journal of the American Chemical Society","2016","138","13","4306","4309","10.1021/jacs.6b00830","","","0.71073","MoKα","","0.071","0.0436","","","0.0976","0.1091","","","","","","1.023","","","","has coordinates","240706","2020-10-21","18:00:00",""
"4130154","19.897","0.0013","9.6269","0.0007","20.0101","0.0013","90","","94.974","0.003","90","","3818.4","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H58 N Nb O P2 -","- C39 H58 N Nb O P2 -","- C156 H232 N4 Nb4 O4 P8 -","4","1","","Kurogi, Takashi; Carroll, Patrick J.; Mindiola, Daniel J.","A Terminally Bound Niobium Methylidyne.","Journal of the American Chemical Society","2016","138","13","4306","4309","10.1021/jacs.6b00830","","","0.71073","MoKα","","0.0493","0.0359","","","0.0834","0.0918","","","","","","1.021","","","","has coordinates","240707","2020-10-21","18:00:00",""
"4130155","12.2863","0.0012","15.2474","0.0013","15.3656","0.0015","61.451","0.004","89.192","0.005","75.707","0.004","2431.9","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C45 H71 F3 N Nb O4 P2 S -","- C45 H71 F3 N Nb O4 P2 S -","- C90 H142 F6 N2 Nb2 O8 P4 S2 -","2","1","","Kurogi, Takashi; Carroll, Patrick J.; Mindiola, Daniel J.","A Terminally Bound Niobium Methylidyne.","Journal of the American Chemical Society","2016","138","13","4306","4309","10.1021/jacs.6b00830","","","0.71073","MoKα","","0.0531","0.0439","","","0.1136","0.122","","","","","","1.047","","","","has coordinates","240708","2020-10-21","18:00:00",""
"4130156","13.2018","0.0004","13.2018","0.0004","57.5706","0.0017","90","","90","","90","","10033.8","0.5","100","","100","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C50 H85 Cl2 N Nb O P2 -","- C38 H57 Cl2 N Nb O P2 -","- C304 H456 Cl16 N8 Nb8 O8 P16 -","8","0.5","","Kurogi, Takashi; Carroll, Patrick J.; Mindiola, Daniel J.","A Terminally Bound Niobium Methylidyne.","Journal of the American Chemical Society","2016","138","13","4306","4309","10.1021/jacs.6b00830","","","0.71073","MoKα","","0.0846","0.074","","","0.1567","0.1601","","","","","","1.285","","","","has coordinates,has disorder","240709","2020-10-21","18:00:00",""
"4130157","32.499","0.007","32.499","0.007","32.499","0.007","90","","90","","90","","34325","13","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C96 H64 N12 O30 Zr6 -","- C96 N12 O32 Zr6 -","- C384 N48 O128 Zr24 -","4","0.0208333","","Zhang, Teng; Manna, Kuntal; Lin, Wenbin","Metal-Organic Frameworks Stabilize Solution-Inaccessible Cobalt Catalysts for Highly Efficient Broad-Scope Organic Transformations.","Journal of the American Chemical Society","2016","138","9","3241","3249","10.1021/jacs.6b00849","","","0.518","","","0.1246","0.1177","","","0.2742","0.277","","","","","","2.369","","","","has coordinates","240710","2020-10-21","18:00:00",""
"4130158","25.4633","0.0016","12.1607","0.0008","22.1318","0.0014","90","","107.914","0.002","90","","6520.9","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25.33 H26.67 Co N4 O0.33 -","- C25.3333 H24 Co N4 O0.333333 -","- C304 H288 Co12 N48 O4 -","12","1.5","","Zhang, Teng; Manna, Kuntal; Lin, Wenbin","Metal-Organic Frameworks Stabilize Solution-Inaccessible Cobalt Catalysts for Highly Efficient Broad-Scope Organic Transformations.","Journal of the American Chemical Society","2016","138","9","3241","3249","10.1021/jacs.6b00849","","","0.71073","MoKα","","0.1003","0.0654","","","0.1723","0.1895","","","","","","1.196","","","","has coordinates","240711","2020-10-21","18:00:00",""
"4130159","15.041","0.002","20.148","0.003","24.408","0.004","90","","93.946","0.003","90","","7379.2","1.9","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C155 H164 Cl4 O12 P4 Pd2 -","- C155 H164 Cl4 O12 P4 Pd2 -","- C310 H328 Cl8 O24 P8 Pd4 -","2","1","","Liu, Yang; Xie, Yinjun; Wang, Hongli; Huang, Hanmin","Enantioselective Aminomethylamination of Conjugated Dienes with Aminals Enabled by Chiral Palladium Complex-Catalyzed C-N Bond Activation.","Journal of the American Chemical Society","2016","138","13","4314","4317","10.1021/jacs.6b00976","","","0.71073","MoKα","","0.0811","0.0589","","","0.1505","0.1651","","","","","","0.991","","","","has coordinates,has disorder","240712","2020-10-21","18:00:00",""
"4130160","11.208","0.006","13.107","0.006","14.164","0.007","78.649","0.009","72.073","0.008","77.763","0.009","1915.3","1.7","296","2","296.15","","","","","","","","","5","P 1","P 1","1","","","","- C41 H42 Cl4 N2 O2 -","- C41 H42 Cl4 N2 O2 -","- C82 H84 Cl8 N4 O4 -","2","2","","Liu, Yang; Xie, Yinjun; Wang, Hongli; Huang, Hanmin","Enantioselective Aminomethylamination of Conjugated Dienes with Aminals Enabled by Chiral Palladium Complex-Catalyzed C-N Bond Activation.","Journal of the American Chemical Society","2016","138","13","4314","4317","10.1021/jacs.6b00976","","","0.71073","MoKα","","0.1188","0.0594","","","0.1582","0.2014","","","","","","0.997","","","","has coordinates","240713","2020-10-21","18:00:00",""
"4130161","26.346","0.008","9.78","0.003","12.743","0.004","90","","101.641","0.005","90","","3215.9","1.7","296","2","296.15","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C39 H40 N2 -","- C39 H40 N2 -","- C156 H160 N8 -","4","1","","Liu, Yang; Xie, Yinjun; Wang, Hongli; Huang, Hanmin","Enantioselective Aminomethylamination of Conjugated Dienes with Aminals Enabled by Chiral Palladium Complex-Catalyzed C-N Bond Activation.","Journal of the American Chemical Society","2016","138","13","4314","4317","10.1021/jacs.6b00976","","","0.71073","MoKα","","0.103","0.0723","","","0.1942","0.2263","","","","","","1.055","","","","has coordinates","240714","2020-10-21","18:00:00",""
"4130162","14.0399","0.001","18.7329","0.0014","25.5734","0.0018","90","","90","","90","","6726","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C74 H70 Cl4 O2 P2 -","- C74 H70 Cl4 O2 P2 -","- C296 H280 Cl16 O8 P8 -","4","1","","Liu, Yang; Xie, Yinjun; Wang, Hongli; Huang, Hanmin","Enantioselective Aminomethylamination of Conjugated Dienes with Aminals Enabled by Chiral Palladium Complex-Catalyzed C-N Bond Activation.","Journal of the American Chemical Society","2016","138","13","4314","4317","10.1021/jacs.6b00976","","","0.71073","MoKα","","0.1023","0.0643","","","0.1665","0.1919","","","","","","1.017","","","","has coordinates","240715","2020-10-21","18:00:00",""
"4130163","17.1202","0.0003","17.1515","0.0003","28.505","0.002","90","","122.17","0.005","90","","7085.1","0.7","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73 H60 Dy Ga4 N7 O22 -","- C73 H60 Dy Ga4 N7 O22 -","- C292 H240 Dy4 Ga16 N28 O88 -","4","1","","Chow, Chun Y.; Eliseeva, Svetlana V.; Trivedi, Evan R.; Nguyen, Tu N.; Kampf, Jeff W.; Petoud, Stéphane; Pecoraro, Vincent L.","Ga(3+)/Ln(3+) Metallacrowns: A Promising Family of Highly Luminescent Lanthanide Complexes That Covers Visible and Near-Infrared Domains.","Journal of the American Chemical Society","2016","138","15","5100","5109","10.1021/jacs.6b00984","","","1.54178","CuKα","","0.0347","0.0346","","","0.0868","0.0869","","","","","","1.068","","","","has coordinates,has disorder","240716","2020-10-21","18:00:00",""
"4130164","13.9491","0.0003","38.2556","0.0012","42.6514","0.0012","105.529","0.003","92.47","0.002","91.599","0.002","21890.5","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C360 H288 Cd6 F72 N36 O24 P12 -","- C360 H288 Cd6 F72 N36 O24 P12 -","- C720 H576 Cd12 F144 N72 O48 P24 -","2","1","","Wang, Shih-Yu; Fu, Jun-Hao; Liang, Yen-Peng; He, Yun-Jui; Chen, Yu-Sheng; Chan, Yi-Tsu","Metallo-Supramolecular Self-Assembly of a Multicomponent Ditrigon Based on Complementary Terpyridine Ligand Pairing.","Journal of the American Chemical Society","2016","138","11","3651","3654","10.1021/jacs.6b01005","","","1.54178","CuKα","","0.2108","0.121","","","0.2992","0.3696","","","","","","1.2","","","","has coordinates,has disorder","240717","2020-10-21","18:00:00",""
"4130165","28.017","0.0006","54.0051","0.0011","15.5349","0.0003","90","","90","","90","","23505.2","0.8","200","2","200","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C61 H51 Cd F12 N7 O5 P2 -","- C61 H51 Cd F12 N7 O5 P2 -","- C976 H816 Cd16 F192 N112 O80 P32 -","16","1","","Wang, Shih-Yu; Fu, Jun-Hao; Liang, Yen-Peng; He, Yun-Jui; Chen, Yu-Sheng; Chan, Yi-Tsu","Metallo-Supramolecular Self-Assembly of a Multicomponent Ditrigon Based on Complementary Terpyridine Ligand Pairing.","Journal of the American Chemical Society","2016","138","11","3651","3654","10.1021/jacs.6b01005","","","1.54178","CuKα","","0.0561","0.0473","","","0.1126","0.1226","","","","","","1.045","","","","has coordinates","240718","2020-10-21","18:00:00",""
"4130166","5.8557","0.0009","9.2297","0.0013","17.447","0.003","96.214","0.002","95.884","0.002","90.396","0.002","932.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cl N2 O4 -","- C20 H19 Cl N2 O4 -","- C40 H38 Cl2 N4 O8 -","2","1","","Huang, Rong; Chang, Xin; Li, Jun; Wang, Chun-Jiang","Cu(I)-Catalyzed Asymmetric Multicomponent Cascade Inverse Electron-Demand Aza-Diels-Alder/Nucleophilic Addition/Ring-Opening Reaction Involving 2-Methoxyfurans as Efficient Dienophiles.","Journal of the American Chemical Society","2016","138","12","3998","4001","10.1021/jacs.6b01008","","","0.71073","MoKα","","0.0564","0.0386","","","0.0875","0.1003","","","","","","1.014","","","","has coordinates","240719","2020-10-21","18:00:00",""
"4130167","8.205","0.002","7.412","0.002","8.636","0.003","90","","100.618","0.01","90","","516.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 Br O2 -","- C11 H11 Br O2 -","- C22 H22 Br2 O4 -","2","1","","Garza, Victoria J.; Krische, Michael J.","Hydroxymethylation beyond Carbonylation: Enantioselective Iridium-Catalyzed Reductive Coupling of Formaldehyde with Allylic Acetates via Enantiotopic π-Facial Discrimination.","Journal of the American Chemical Society","2016","138","11","3655","3658","10.1021/jacs.6b01078","","","0.71073","MoKα","","0.0229","0.022","","","0.0531","0.0535","","","","","","1.047","","","","has coordinates","240720","2020-10-21","18:00:00",""
"4130168","20.569","0.002","15.5906","0.0015","18.3755","0.0018","90","","104.318","0.003","90","","5709.7","1","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H31 Cu F3 N4 O6 S -","- C26 H31 Cu F3 N4 O6 S -","- C208 H248 Cu8 F24 N32 O48 S8 -","8","1","","Lionetti, Davide; de Ruiter, Graham; Agapie, Theodor","A trans-Hyponitrite Intermediate in the Reductive Coupling and Deoxygenation of Nitric Oxide by a Tricopper-Lewis Acid Complex.","Journal of the American Chemical Society","2016","138","15","5008","5011","10.1021/jacs.6b01083","","","0.71073","MoKα","","0.074","0.0421","","","0.1018","0.1176","","","","","","1.032","","","","has coordinates","240721","2020-10-21","18:00:00",""
"4130169","13.8507","0.0013","16.8194","0.0017","21.214","0.002","105.556","0.003","105.602","0.003","94.915","0.003","4518.8","0.8","100","2","100","","","","","","","","","8","P -1","-P 1","2","","","","- C162 H179 Cu6 F18 N33 O28 S6 Y2 -","- C162 H179 Cu6 F18 N33 O28 S6 Y2 -","- C162 H179 Cu6 F18 N33 O28 S6 Y2 -","1","0.5","","Lionetti, Davide; de Ruiter, Graham; Agapie, Theodor","A trans-Hyponitrite Intermediate in the Reductive Coupling and Deoxygenation of Nitric Oxide by a Tricopper-Lewis Acid Complex.","Journal of the American Chemical Society","2016","138","15","5008","5011","10.1021/jacs.6b01083","","","0.71073","MoKα","","0.0779","0.0533","","","0.1446","0.1623","","","","","","1.038","","","","has coordinates,has disorder","240722","2020-10-21","18:00:00",""
"4130170","18.76","0.005","18.76","0.005","17.999","0.005","90","0.005","90","0.005","90","0.005","6335","3","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C36 H44 N22 O12 S2 Zn5 -","- C36 H32 N22 O12 S2 Zn5 -","- C144 H128 N88 O48 S8 Zn20 -","4","0.25","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71069","MoKα","","0.0667","0.0638","","","0.1881","0.1913","","","","","","1.033","","","","has coordinates,has disorder","240723","2020-10-21","18:00:00",""
"4130171","24.775","0.0016","24.775","0.0016","31.869","0.002","90","0.001","90","0.001","120","0.001","16940.5","1.9","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C26 H20 N10 O12 S3 Zn4 -","- C24 H12 N9 O12 S3 Zn4 -","- C192 H96 N72 O96 S24 Zn32 -","8","0.333333","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71069","MoKα","","0.0871","0.0335","","","0.0858","0.0906","","","","","","0.992","","","","has coordinates","240723","2020-10-21","18:00:00",""
"4130172","16.294","0.0009","16.294","0.0009","31.752","0.0018","90","0.005","90","0.005","120","0.005","7300.6","0.8","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C58 H46 N20 O24 S3 Zn8 -","- C54 H18 N18 O24 S3 Zn8 -","- C108 H36 N36 O48 S6 Zn16 -","2","0.166667","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71069","MoKα","","0.0858","0.0618","","","0.2251","0.2547","","","","","","1.034","","","","has coordinates","240723","2020-10-21","18:00:00",""
"4130173","18.213","0.0006","18.213","0.0006","31.7057","0.0012","90","","90","","120","","9108.2","0.5","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C64 H52 N20 O24 S9 Zn8 -","- C60 H36 N18 O24 S9 Zn8 -","- C120 H72 N36 O48 S18 Zn16 -","2","0.166667","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71073","MoKα","","0.0698","0.0506","","","0.1563","0.1659","","","","","","1.08","","","","has coordinates,has disorder","240723","2020-10-21","18:00:00",""
"4130174","18.748","0.004","18.748","","31.892","0.006","90","","90","","120","","9708","3","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C70 H52 N20 O24 S3 Zn8 -","- C66 H36 N18 O24 S3 Zn8 -","- C132 H72 N36 O48 S6 Zn16 -","2","0.166667","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71073","MoKα","","0.1075","0.0711","","","0.1604","0.1693","","","","","","1.016","","","","has coordinates,has disorder","240723","2020-10-21","18:00:00",""
"4130175","34.858","0.005","38.935","0.005","19.106","0.003","90","0.005","121.613","0.002","90","0.005","22083","6","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C76 H58 N22 O24 S3 Zn8 -","- C72 H42 N20 O24 S3 Zn8 -","- C288 H168 N80 O96 S12 Zn32 -","4","0.5","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71069","MoKα","","0.1137","0.0506","","","0.0964","0.1039","","","","","","0.994","","","","has coordinates","240723","2020-10-21","18:00:00",""
"4130176","52.786","","21.894","","33.863","","90","","129.9","","90","","30023.3","","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C88 H64 N20 O24 S3 Zn8 -","- C84 H48 N18 O24 S3 Zn8 -","- C336 H192 N72 O96 S12 Zn32 -","4","0.5","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71073","MoKα","","0.1436","0.0915","","","0.1799","0.1972","","","","","","0.991","","","","has coordinates","240723","2020-10-21","18:00:00",""
"4130177","26.0154","0.0007","70.791","0.002","43.7088","0.0014","90","","90","","90","","80497","4","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C106 H70 N26 O24 S3 Zn9.5 -","- C102 H54 N24 O24 S3 Zn9.5 -","- C816 H432 N192 O192 S24 Zn76 -","8","0.5","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71073","MoKα","","0.0945","0.0754","","","0.2156","0.2341","","","","","","1.106","","","","has coordinates,has disorder","240723","2020-10-21","18:00:00",""
"4130178","38.7892","0.0005","10.0101","0.0002","19.4349","0.0003","90","","117.371","0.0007","90","","6701.43","0.19","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H22 B F10 O P -","- C39 H22 B F10 O P -","- C312 H176 B8 F80 O8 P8 -","8","1","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","0.71073","MoKα","","0.0703","0.0462","","0.1153","0.096","0.1153","","","","","","0.9363","","","","has coordinates","240724","2020-10-21","18:00:00",""
"4130179","11.8302","0.0005","13.0209","0.0005","13.4767","0.0006","65.883","0.004","67.537","0.004","78.866","0.003","1749.3","0.15","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C39.14 H28.28 B2 Cl0.28 F10 N O P -","- C39.1379 H28.2758 B2 Cl0.2758 F10 N O P -","- C78.2758 H56.5516 B4 Cl0.5516 F20 N2 O2 P2 -","2","1","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","1.5418","CuKα","","0.0454","0.0391","","","0.097","0.1019","","","","","","1.023","","","","has coordinates,has disorder","240724","2020-10-21","18:00:00",""
"4130180","10.0982","0.0001","19.7298","0.0002","20.527","0.0002","81.7674","0.0004","84.2722","0.0004","78.4057","0.0004","3954.32","0.07","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H30 B2 F10 N O P -","- C40 H30 B2 F10 N O P -","- C160 H120 B8 F40 N4 O4 P4 -","4","2","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","0.71073","MoKα","","0.09","0.055","","0.1708","0.1327","0.1708","","","","","","0.9841","","","","has coordinates","240724","2020-10-21","18:00:00",""
"4130181","10.2093","0.0001","15.8891","0.0002","22.2346","0.0004","90","","94.2105","0.0006","90","","3597.09","0.09","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H32 B2 F10 N O P -","- C41 H32 B2 F10 N O P -","- C164 H128 B8 F40 N4 O4 P4 -","4","1","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","0.71073","MoKα","","0.0918","0.0446","","0.136","0.0951","0.136","","","","","","0.9789","","","","has coordinates","240724","2020-10-21","18:00:00",""
"4130182","13.1679","0.0004","15.0411","0.0004","20.7964","0.0004","90","","94.719","0.002","90","","4104.97","0.18","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H36 B2 Cl2 F10 N O P -","- C43 H36 B2 Cl2 F10 N O P -","- C172 H144 B8 Cl8 F40 N4 O4 P4 -","4","1","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","1.5418","CuKα","","0.0837","0.06","","0.155","0.1378","0.1548","","","","","","0.9542","","","","has coordinates","240724","2020-10-21","18:00:00",""
"4130183","9.9719","0.0001","17.3317","0.0002","21.4305","0.0003","90","","91.939","0.0006","90","","3701.71","0.08","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H32 B3 F10 N2 O P -","- C39 H32 B3 F10 N2 O P -","- C156 H128 B12 F40 N8 O4 P4 -","4","1","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","0.71073","MoKα","","0.0778","0.0445","","0.1137","0.0875","0.1137","","","","","","0.9627","","","","has coordinates","240724","2020-10-21","18:00:00",""
"4130184","10.7616","0.0004","29.2049","0.001","15.4643","0.0008","90","","106.367","0.004","90","","4663.3","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H102 B6 F20 N4 O5 P2 -","- C94 H102 B6 F20 N4 O5 P2 -","- C188 H204 B12 F40 N8 O10 P4 -","2","0.5","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","1.5418","CuKα","","0.089","0.0713","","","0.1768","0.187","","","","","","1.081","","","","has coordinates,has disorder","240724","2020-10-21","18:00:00",""
"4130185","12.4563","0.0002","12.7878","0.0002","13.9516","0.0002","97.1164","0.0007","110.102","0.0007","96.6299","0.0007","2040.88","0.06","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H28 B2 Cl2 F10 N O P -","- C40 H28 B2 Cl2 F10 N O P -","- C80 H56 B4 Cl4 F20 N2 O2 P2 -","2","1","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","0.71073","MoKα","","0.0683","0.0503","","0.1453","0.1247","0.1453","","","","","","0.9601","","","","has coordinates","240724","2020-10-21","18:00:00",""
"4130186","21.3231","0.0004","8.5517","0.0001","41.7671","0.0009","90","","101.146","0.002","90","","7472.5","0.2","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C91 H90 B2 Cl2 O2 P2 -","- C91 H90 B2 Cl2 O2 P2 -","- C364 H360 B8 Cl8 O8 P8 -","4","0.5","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","1.5418","CuKα","","0.0438","0.0429","","0.1047","0.1042","0.1047","","","","","","1.0066","","","","has coordinates,has disorder","240724","2020-10-21","18:00:00",""
"4130187","6.5466","0.0003","14.9516","0.0006","50.431","0.002","90","","90","","90","","4936.3","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 F N2 O6 S -","- C25 H25 F N2 O6 S -","- C200 H200 F8 N16 O48 S8 -","8","2","","Trost, Barry M.; Saget, Tanguy; Hung, Chao-I Joey","Direct Catalytic Asymmetric Mannich Reactions for the Construction of Quaternary Carbon Stereocenters.","Journal of the American Chemical Society","2016","138","11","3659","3662","10.1021/jacs.6b01187","","","1.54178","CuKα","","0.0434","0.0421","","","0.1081","0.1093","","","","","","1.033","","","","has coordinates,has disorder","240725","2020-10-21","18:00:00",""
"4130188","15.4073","0.0009","13.5221","0.0016","20.4502","0.0016","90","","90","","90","","4260.6","0.7","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 -","- C13 H12 N2 -","- C208 H192 N32 -","16","2","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","1.54178","CuKα","","0.041","0.0376","","","0.0923","0.095","","","","","","1.044","","","","has coordinates","240726","2020-10-21","18:00:00",""
"4130189","19.6236","0.0014","14.018","0.002","22.9158","0.0018","90","","111.508","0.005","90","","5864.8","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl6 N2 O9 Pd2 -","- C21 H20 Cl6 N2 O9 Pd2 -","- C168 H160 Cl48 N16 O72 Pd16 -","8","2","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","","1.54178","CuKα","","0.026","0.0217","","","0.0529","0.0551","","","","","","1.04","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4130190","12.919","0.004","14.743","0.005","25.813","0.012","89.68","0.02","85.15","0.017","66.57","0.03","4493","3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C69 H62 Cl18 N8 O20 Pd4 -","- C69 H62 Cl18 N8 O20 Pd4 -","- C138 H124 Cl36 N16 O40 Pd8 -","2","1","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","0.71073","MoKα","K-L~3~","0.0949","0.064","","","0.1402","0.1503","","","","","","1.076","","","","has coordinates,has disorder","240726","2020-10-21","18:00:00",""
"4130191","5.9835","0.0005","10.44","0.0009","12.697","0.002","73.333","0.005","88.112","0.007","88.791","0.006","759.36","0.15","100","2","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Cl6 N4 O6 Pd -","- C28 H20 Cl6 N4 O6 Pd -","- C28 H20 Cl6 N4 O6 Pd -","1","0.5","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","1.54178","CuKα","K-L~3~","0.0245","0.0226","","","0.0543","0.0551","","","","","","1.068","","","","has coordinates","240726","2020-10-21","18:00:00",""
"4130192","11.337","0.004","20.912","0.008","13.689","0.005","90","","97.432","0.016","90","","3218","2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22.87 H25.87 Cl5.6 N2 O8 Pd2 -","- C22.8697 H25.8697 Cl5.6091 N2 O8 Pd2 -","- C91.4788 H103.479 Cl22.4364 N8 O32 Pd8 -","4","1","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","0.71073","MoKα","K-L~3~","0.0226","0.0197","","","0.0477","0.0495","","","","","","1.071","","","","has coordinates,has disorder","240726","2020-10-21","18:00:00",""
"4130193","10.376","0.003","12.988","0.002","17.735","0.003","90","","101.52","0.014","90","","2341.9","0.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18.47 H19.47 Cl4.42 N2 O4 Pd -","- C18.4718 H19.4718 Cl4.4154 N2 O4 Pd -","- C73.8872 H77.8872 Cl17.6616 N8 O16 Pd4 -","4","1","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","1.54178","CuKα","K-L~3~","0.0253","0.0247","","","0.0719","0.0723","","","","","","1.176","","","","has coordinates,has disorder","240726","2020-10-21","18:00:00",""
"4130194","14.8547","0.0016","16.258","0.003","15.2201","0.0013","90","","115.105","0.006","90","","3328.5","0.8","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H8 F18 N2 O13 Pd2 -","- C23 H8 F18 N2 O13 Pd2 -","- C92 H32 F72 N8 O52 Pd8 -","4","1","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","1.54178","CuKα","","0.0429","0.036","","","0.0972","0.103","","","","","","1.021","","","","has coordinates,has disorder","240726","2020-10-21","18:00:00",""
"4130195","11.0499","0.001","11.1974","0.0009","11.2382","0.0007","96.618","0.003","114.186","0.003","99.355","0.005","1225.77","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H8 F12 N2 O9 Pd -","- C19 H8 F12 N2 O9 Pd -","- C38 H16 F24 N4 O18 Pd2 -","2","1","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","1.54178","CuKα","","0.0218","0.0218","","","0.0568","0.0568","","","","","","1.134","","","","has coordinates","240726","2020-10-21","18:00:00",""
"4130196","12.971","0.005","13.996","0.004","15.387","0.004","73.854","0.017","72.031","0.006","80.916","0.007","2544.4","1.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C43.54 H49.54 Cl4.63 N4 O10 Pd2 -","- C43.531 H49.531 Cl4.593 N4 O10 Pd2 -","- C87.062 H99.062 Cl9.186 N8 O20 Pd4 -","2","1","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","0.71073","MoKα","","0.0679","0.0653","","","0.1446","0.1458","","","","","","1.287","","","","has coordinates,has disorder","240726","2020-10-21","18:00:00",""
"4130197","24.5357","0.001","8.7047","0.0004","26.4314","0.001","90","","122.616","0.002","90","","4754.9","0.4","100","","99.99","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C50 H12 F20 N4 O10 Pd2 -","- C50 H12 F20 N4 O10 Pd2 -","- C200 H48 F80 N16 O40 Pd8 -","4","1","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","0.71073","MoKα","","0.0521","0.0344","","","0.0665","0.0727","","","","","","1.022","","","","has coordinates","240726","2020-10-21","18:00:00",""
"4130198","13.763","0.003","13.763","0.003","6.746","0.004","90","","90","","90","","1277.8","0.9","298","","298","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C28 H16 F6 S4 Ta -","- C28 H16 F6 S4 Ta -","- C56 H32 F12 S8 Ta2 -","2","0.25","","Kiyota, Yasuhiro; Kadoya, Tomofumi; Yamamoto, Kaoru; Iijima, Kodai; Higashino, Toshiki; Kawamoto, Tadashi; Takimiya, Kazuo; Mori, Takehiko","Benzothienobenzothiophene-Based Molecular Conductors: High Conductivity, Large Thermoelectric Power Factor, and One-Dimensional Instability.","Journal of the American Chemical Society","2016","138","11","3920","3925","10.1021/jacs.6b01213","","","0.71069","MoKα","","","0.0478","","","","0.1459","","","","","","1.019","","","","has coordinates","240727","2020-10-21","18:00:00",""
"4130199","13.7406","0.0018","13.7406","0.0018","6.744","0.003","90","","90","","90","","1273.3","0.6","293","","293","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C28 H16 F6 S4 Sb -","- C28 H16 F6 S4 Sb -","- C56 H32 F12 S8 Sb2 -","2","0.25","","Kiyota, Yasuhiro; Kadoya, Tomofumi; Yamamoto, Kaoru; Iijima, Kodai; Higashino, Toshiki; Kawamoto, Tadashi; Takimiya, Kazuo; Mori, Takehiko","Benzothienobenzothiophene-Based Molecular Conductors: High Conductivity, Large Thermoelectric Power Factor, and One-Dimensional Instability.","Journal of the American Chemical Society","2016","138","11","3920","3925","10.1021/jacs.6b01213","","","0.71069","MoKα","","","0.0404","","","","0.0737","","","","","","1.275","","","","has coordinates","240728","2020-10-21","18:00:00",""
"4130200","13.5835","0.0013","13.5835","0.0013","6.737","0.003","90","","90","","90","","1243.1","0.6","298","","298","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C28 H16 As F6 S4 -","- C28 H16 As F6 S4 -","- C56 H32 As2 F12 S8 -","2","0.25","","Kiyota, Yasuhiro; Kadoya, Tomofumi; Yamamoto, Kaoru; Iijima, Kodai; Higashino, Toshiki; Kawamoto, Tadashi; Takimiya, Kazuo; Mori, Takehiko","Benzothienobenzothiophene-Based Molecular Conductors: High Conductivity, Large Thermoelectric Power Factor, and One-Dimensional Instability.","Journal of the American Chemical Society","2016","138","11","3920","3925","10.1021/jacs.6b01213","","","0.71069","MoKα","","","0.0467","","","","0.1245","","","","","","1.049","","","","has coordinates","240730","2020-10-21","18:00:00",""
"4130201","8.8403","0.0007","9.8113","0.0007","18.8722","0.0014","90","","90","","90","","1636.9","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Br N O -","- C19 H18 Br N O -","- C76 H72 Br4 N4 O4 -","4","1","","Liu, Ren-Rong; Li, Bao-Le; Lu, Jun; Shen, Chong; Gao, Jian-Rong; Jia, Yi-Xia","Palladium/l-Proline-Catalyzed Enantioselective α-Arylative Desymmetrization of Cyclohexanones.","Journal of the American Chemical Society","2016","138","16","5198","5201","10.1021/jacs.6b01214","","","0.71073","MoKα","","0.0879","0.0396","","","0.0757","0.0909","","","","","","1.018","","","","has coordinates","240731","2020-10-21","18:00:00",""
"4130202","11.8131","0.001","12.9608","0.0011","26.409","0.002","90","","90","","90","","4043.4","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H25 B10 Ir S2 -","- C12 H25 B10 Ir S2 -","- C96 H200 B80 Ir8 S16 -","8","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0431","0.0252","","","0.0592","0.0637","","","","","","1.006","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130203","16.7982","0.0014","12.1828","0.001","21.8063","0.0018","90","","109.582","0.001","90","","4204.5","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 B10 F3 Ir P S2 -","- C30 H37 B10 F3 Ir P S2 -","- C120 H148 B40 F12 Ir4 P4 S8 -","4","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0386","0.0334","","","0.0994","0.1023","","","","","","1.103","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130204","11.9911","0.0012","18.2907","0.0018","19.1405","0.0018","93.963","0.002","92.945","0.001","95.033","0.001","4164.8","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H46 B10 Ir O3 P S2 -","- C33 H46 B10 Ir O3 P S2 -","- C132 H184 B40 Ir4 O12 P4 S8 -","4","2","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0503","0.0414","","","0.1276","0.1336","","","","","","1.118","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130205","22.537","0.003","9.9686","0.0011","12.6468","0.0014","90","","90","","90","","2841.3","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H40 B10 Ir P S2 -","- C18 H40 B10 Ir P S2 -","- C72 H160 B40 Ir4 P4 S8 -","4","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0295","0.0262","","","0.0601","0.0611","","","","","","1.013","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130206","17.2081","0.0016","11.4691","0.0011","21.3963","0.0014","90","","125.744","0.003","90","","3427.4","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 B10 Ir P S2 -","- C30 H40 B10 Ir P S2 -","- C120 H160 B40 Ir4 P4 S8 -","4","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0603","0.0552","","","0.1349","0.1362","","","","","","1.03","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130207","15.507","0.003","19.538","0.004","22.556","0.004","90","","91.978","0.003","90","","6830","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 B10 F3 Ir P S2 -","- C30 H37 B10 F3 Ir P S2 -","- C240 H296 B80 F24 Ir8 P8 S16 -","8","2","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0607","0.0434","","","0.1147","0.1261","","","","","","1.009","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130208","12.019","0.002","9.9038","0.0018","38.907","0.007","90","","93.446","0.003","90","","4622.9","1.4","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C33 H46 B10 Ir O3 P S2 -","- C33 H46 B10 Ir O3 P S2 -","- C132 H184 B40 Ir4 O12 P4 S8 -","4","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.034","0.0299","","","0.0763","0.0778","","","","","","1.179","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130209","9.1894","0.0008","10.8105","0.001","14.5584","0.0013","85.042","0.001","89.59","0.001","74.622","0.001","1389.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H40 B10 Ir P S2 -","- C18 H40 B10 Ir P S2 -","- C36 H80 B20 Ir2 P2 S4 -","2","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0515","0.0474","","","0.1414","0.1585","","","","","","1.113","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130210","12.281","0.003","14.51","0.003","19.708","0.004","90","","101.393","0.002","90","","3442.7","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 B10 Ir P S2 -","- C30 H40 B10 Ir P S2 -","- C120 H160 B40 Ir4 P4 S8 -","4","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0482","0.0405","","","0.1195","0.1367","","","","","","1.079","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130211","16.2172","0.0004","17.2657","0.0008","21.5757","0.001","85.709","0.004","68.48","0.003","64.959","0.003","5068.6","0.4","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C132 H112 S8 -","- C132 H112 S8 -","- C264 H224 S16 -","2","1","","Fujikawa, Takao; Segawa, Yasutomo; Itami, Kenichiro","Synthesis and Structural Features of Quadruple Helicenes: Highly Distorted π Systems Enabled by Accumulation of Helical Repulsions.","Journal of the American Chemical Society","2016","138","10","3587","3595","10.1021/jacs.6b01303","","","0.71075","MoKα","","0.0414","0.0358","","","0.0903","0.0954","","","","","","1.036","","","","has coordinates,has disorder","240733","2020-10-21","18:00:00",""
"4130212","17.2313","0.0019","12.0935","0.0011","25.119","0.003","90","","106.951","0.002","90","","5007.1","0.9","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C66 H56 S4 -","- C66 H56 S4 -","- C264 H224 S16 -","4","1","","Fujikawa, Takao; Segawa, Yasutomo; Itami, Kenichiro","Synthesis and Structural Features of Quadruple Helicenes: Highly Distorted π Systems Enabled by Accumulation of Helical Repulsions.","Journal of the American Chemical Society","2016","138","10","3587","3595","10.1021/jacs.6b01303","","","0.71075","MoKα","","0.0676","0.0472","","","0.1124","0.1275","","","","","","1.058","","","","has coordinates,has disorder","240733","2020-10-21","18:00:00",""
"4130213","11.6412","0.0003","17.092","0.0004","23.7775","0.0005","90","","100.771","0.001","90","","4647.69","0.19","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H61 Al P2 Pt -","- C52 H61 Al P2 Pt -","- C208 H244 Al4 P8 Pt4 -","4","1","","Devillard, Marc; Declercq, Richard; Nicolas, Emmanuel; Ehlers, Andreas W.; Backs, Jana; Saffon-Merceron, Nathalie; Bouhadir, Ghenwa; Slootweg, J. Chris; Uhl, Werner; Bourissou, Didier","A Significant but Constrained Geometry Pt→Al Interaction: Fixation of CO2 and CS2, Activation of H2 and PhCONH2.","Journal of the American Chemical Society","2016","138","14","4917","4926","10.1021/jacs.6b01320","","","0.71073","MoKα","","0.0526","0.0305","","","0.0679","0.076","","","","","","1.02","","","","has coordinates,has disorder","240734","2020-10-21","18:00:00",""
"4130214","12.5062","0.0009","18.9753","0.0013","21.519","0.0014","97.69","0.002","92.244","0.002","108.259","0.002","4788","0.6","193","2","193.02","","","","","","","","","6","P -1","-P 1","2","","","","- C108 H126 Al2 O4.5 P4 Pt2 -","- C108 H126 Al2 O4.5 P4 Pt2 -","- C216 H252 Al4 O9 P8 Pt4 -","2","1","","Devillard, Marc; Declercq, Richard; Nicolas, Emmanuel; Ehlers, Andreas W.; Backs, Jana; Saffon-Merceron, Nathalie; Bouhadir, Ghenwa; Slootweg, J. Chris; Uhl, Werner; Bourissou, Didier","A Significant but Constrained Geometry Pt→Al Interaction: Fixation of CO2 and CS2, Activation of H2 and PhCONH2.","Journal of the American Chemical Society","2016","138","14","4917","4926","10.1021/jacs.6b01320","","","0.71073","MoKα","","0.07","0.0478","","","0.1076","0.1163","","","","","","1.094","","","","has coordinates,has disorder","240734","2020-10-21","18:00:00",""
"4130215","20.0944","0.0015","14.1515","0.001","17.3483","0.0012","90","","100.857","0.002","90","","4845","0.6","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H61 Al P2 Pt S2 -","- C53 H61 Al P2 Pt S2 -","- C212 H244 Al4 P8 Pt4 S8 -","4","1","","Devillard, Marc; Declercq, Richard; Nicolas, Emmanuel; Ehlers, Andreas W.; Backs, Jana; Saffon-Merceron, Nathalie; Bouhadir, Ghenwa; Slootweg, J. Chris; Uhl, Werner; Bourissou, Didier","A Significant but Constrained Geometry Pt→Al Interaction: Fixation of CO2 and CS2, Activation of H2 and PhCONH2.","Journal of the American Chemical Society","2016","138","14","4917","4926","10.1021/jacs.6b01320","","","0.71073","MoKα","","0.0479","0.0387","","","0.09","0.0949","","","","","","1.061","","","","has coordinates","240734","2020-10-21","18:00:00",""
"4130216","15.9092","0.0005","23.258","0.0006","16.4934","0.0005","90","","110.253","0.001","90","","5725.5","0.3","193","2","193","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C60 H70 Al Cl2 N O P2 Pt -","- C60 H70 Al Cl2 N O P2 Pt -","- C240 H280 Al4 Cl8 N4 O4 P8 Pt4 -","4","1","","Devillard, Marc; Declercq, Richard; Nicolas, Emmanuel; Ehlers, Andreas W.; Backs, Jana; Saffon-Merceron, Nathalie; Bouhadir, Ghenwa; Slootweg, J. Chris; Uhl, Werner; Bourissou, Didier","A Significant but Constrained Geometry Pt→Al Interaction: Fixation of CO2 and CS2, Activation of H2 and PhCONH2.","Journal of the American Chemical Society","2016","138","14","4917","4926","10.1021/jacs.6b01320","","","0.71073","MoKα","","0.0227","0.0199","","","0.0424","0.0435","","","","","","1.028","","","","has coordinates,has disorder","240734","2020-10-21","18:00:00",""
"4130217","15.49394","0.00009","15.49394","0.00009","12.31213","0.00015","90","","90","","90","","2955.68","0.04","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (In) 0.90 D2","","","- C8 H4 D1.82 In O5 -","- C8 H4 D1.818 In O5 -","- C64 H32 D14.544 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","3.38841","","","","","","","has coordinates","240735","2020-10-21","18:00:00",""
"4130218","15.49227","0.0001","15.49227","0.0001","12.31047","0.00018","90","","90","","90","","2954.64","0.05","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (In) 1.60 D2","","","- C8 H4 D3.21 In O5 -","- C8 H4 D3.206 In O5 -","- C64 H32 D25.648 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","3.88994","","","","","","","has coordinates","240735","2020-10-21","18:00:00",""
"4130219","15.48888","0.00013","15.48888","0.00013","12.30827","0.00019","90","","90","","90","","2952.82","0.06","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (In) 2.99 D2","","","- C8 H4 D5.98 In O5 -","- C8 H4 D5.978 In O5 -","- C64 H32 D47.824 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","4.18031","","","","","","","has coordinates","240735","2020-10-21","18:00:00",""
"4130220","15.48281","0.00012","15.48281","0.00012","12.3009","0.0002","90","","90","","90","","2948.74","0.06","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (In) 4.83 D2","","","- C8 H4 D9.67 In O5 -","- C8 H4 D9.67 In O5 -","- C64 H32 D77.36 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","4.66617","","","","","","","has coordinates","240735","2020-10-21","18:00:00",""
"4130221","15.49785","0.00017","15.49785","0.00017","12.3052","0.0002","90","","90","","90","","2955.5","0.07","","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (In) 6.08 D2","","","- C8 H4 D12.17 In O5 -","- C8 H4 D12.168 In O5 -","- C64 H32 D97.344 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","5.45194","","","","","","","has coordinates","240735","2020-10-21","18:00:00",""
"4130222","15.46363","0.00005","15.46363","0.00005","12.29044","0.0001","90","","90","","90","","2938.94","0.03","7","","7","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","NOTT-300 (In) Desolvated","","","- C8 H4 In O5 -","- C8 H4 In O5 -","- C64 H32 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","1.89138","","","","","","","has coordinates","240736","2020-10-21","18:00:00",""
"4130223","15.46363","0.00005","15.46363","0.00005","12.29044","0.0001","90","","90","","90","","2938.94","0.03","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","NOTT-300 (In) 1.09 CD4","","","- C9.09 H4 D4.35 In O5 -","- C9.088 H4 D4.352 In O5 -","- C72.704 H32 D34.816 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","1.88888","","","","","","","has coordinates","240736","2020-10-21","18:00:00",""
"4130224","15.43745","0.0001","15.43745","0.0001","12.2848","0.0002","90","","90","","90","","2927.65","0.05","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","NOTT-300 (In) 2.09 CD4","","","- C10.09 H4 D8.36 In O5 -","- C10.09 H4 D8.36 In O5 -","- C80.72 H32 D66.88 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","5.11525","","","","","","","has coordinates","240736","2020-10-21","18:00:00",""
"4130225","15.5019","0.0003","15.5019","0.0003","12.306","0.0003","90","","90","","90","","2957.24","0.11","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","NOTT-300 (In) 3.11 CD4","","","- C11.11 H4 D12.44 In O5 -","- C11.11 H4 D12.44 In O5 -","- C88.88 H32 D99.52 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","5.47246","","","","","","","has coordinates","240736","2020-10-21","18:00:00",""
"4130226","9.6472","0.0002","14.2251","0.0004","26.6001","0.0007","90","","93.415","0.0014","90","","3643.91","0.16","100","2","100.04","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C131 H112 F48 N16 O P8 -","- C131 H112 F48 N16 O P8 -","- C131 H112 F48 N16 O P8 -","1","0.25","","Dale, Edward J.; Ferris, Daniel P.; Vermeulen, Nicolaas A.; Henkelis, James J.; Popovs, Ilja; Juríček, Michal; Barnes, Jonathan C.; Schneebeli, Severin T.; Stoddart, J. Fraser","Cooperative Reactivity in an Extended-Viologen-Based Cyclophane.","Journal of the American Chemical Society","2016","138","11","3667","3670","10.1021/jacs.6b01368","","","0.71073","MoKα","","0.107","0.0744","","","0.2018","0.2238","","","","","","1.067","","","","has coordinates,has disorder","240737","2020-10-21","18:00:00",""
"4130227","10.5028","0.0007","11.0221","0.0007","21.9016","0.0015","82.419","0.004","82.604","0.004","63.647","0.003","2245","0.3","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H60 F24 N6 O P4 -","- C77 H60 F24 N6 O P4 -","- C77 H60 F24 N6 O P4 -","1","0.5","","Dale, Edward J.; Ferris, Daniel P.; Vermeulen, Nicolaas A.; Henkelis, James J.; Popovs, Ilja; Juríček, Michal; Barnes, Jonathan C.; Schneebeli, Severin T.; Stoddart, J. Fraser","Cooperative Reactivity in an Extended-Viologen-Based Cyclophane.","Journal of the American Chemical Society","2016","138","11","3667","3670","10.1021/jacs.6b01368","","","0.71073","MoKα","","0.1348","0.0725","","","0.1986","0.2206","","","","","","1.074","","","","has coordinates,has disorder","240738","2020-10-21","18:00:00",""
"4130228","11.465","0.002","22.063","0.004","23.253","0.004","90","","90","","90","","5881.9","1.8","100","2","99.97","","","","","","","","","5","I c m a","-I 2b 2b","72","","","","- C42 H35 F24 N5 P4 -","- C42 H35 F24 N5 P4 -","- C168 H140 F96 N20 P16 -","4","0.25","","Dale, Edward J.; Ferris, Daniel P.; Vermeulen, Nicolaas A.; Henkelis, James J.; Popovs, Ilja; Juríček, Michal; Barnes, Jonathan C.; Schneebeli, Severin T.; Stoddart, J. Fraser","Cooperative Reactivity in an Extended-Viologen-Based Cyclophane.","Journal of the American Chemical Society","2016","138","11","3667","3670","10.1021/jacs.6b01368","","","1.54184","CuKα","","0.058","0.056","","","0.173","0.1756","","","","","","1.152","","","","has coordinates,has disorder","240739","2020-10-21","18:00:00",""
"4130229","24.3589","0.0017","16.5544","0.0012","10.64","0.0007","90","","108.44","0.003","90","","4070.3","0.5","100","2","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C92 H68 F24 N6 P4 -","- C92 H68 F24 N6 P4 -","- C184 H136 F48 N12 P8 -","2","0.25","","Dale, Edward J.; Ferris, Daniel P.; Vermeulen, Nicolaas A.; Henkelis, James J.; Popovs, Ilja; Juríček, Michal; Barnes, Jonathan C.; Schneebeli, Severin T.; Stoddart, J. Fraser","Cooperative Reactivity in an Extended-Viologen-Based Cyclophane.","Journal of the American Chemical Society","2016","138","11","3667","3670","10.1021/jacs.6b01368","","","1.54178","CuKα","","0.1182","0.1148","","","0.4426","0.4576","","","","","","2.464","","","","has coordinates,has disorder","240740","2020-10-21","18:00:00",""
"4130230","24.3589","0.0017","16.5544","0.0012","10.64","0.0007","90","","108.44","0.003","90","","4070.3","0.5","100","2","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C76 H58 F24 N6 P4 -","- C76 H58 F24 N6 P4 -","- C152 H116 F48 N12 P8 -","2","0.25","","Dale, Edward J.; Ferris, Daniel P.; Vermeulen, Nicolaas A.; Henkelis, James J.; Popovs, Ilja; Juríček, Michal; Barnes, Jonathan C.; Schneebeli, Severin T.; Stoddart, J. Fraser","Cooperative Reactivity in an Extended-Viologen-Based Cyclophane.","Journal of the American Chemical Society","2016","138","11","3667","3670","10.1021/jacs.6b01368","","","1.54184","CuKα","","0.1111","0.1068","","","0.2911","0.2955","","","","","","1.08","","","","has coordinates,has disorder","240741","2020-10-21","18:00:00",""
"4130231","3.7693","0.0004","8.5103","0.0011","14.0577","0.0017","93.315","0.007","91.465","0.006","94.628","0.007","448.51","0.09","98","","98","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 B N O4 -","- C7 H10 B N O4 -","- C14 H20 B2 N2 O8 -","2","1","","Mfuh, Adelphe M.; Doyle, John D.; Chhetri, Bhuwan; Arman, Hadi D.; Larionov, Oleg V.","Scalable, Metal- and Additive-Free, Photoinduced Borylation of Haloarenes and Quaternary Arylammonium Salts.","Journal of the American Chemical Society","2016","138","9","2985","2988","10.1021/jacs.6b01376","","","0.71075","MoKα","","0.0861","0.0663","","","0.1328","0.1436","","","","","","1.008","","","","has coordinates,has disorder","240742","2020-10-21","18:00:00",""
"4130232","9.477","0.005","10.236","0.005","17.108","0.009","79.721","0.009","75.293","0.008","73.022","0.009","1525.5","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H48 Si2 U -","- C28 H48 Si2 U -","- C56 H96 Si4 U2 -","2","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.0526","0.0443","","","0.1175","0.1274","","","","","","1.078","","","","has coordinates","240743","2020-10-21","18:00:00",""
"4130233","10.679","0.004","10.686","0.004","18.045","0.007","75.212","0.006","89.597","0.006","67.141","0.005","1824.8","1.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H50 U -","- C48 H50 U -","- C96 H100 U2 -","2","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.0386","0.0321","","","0.0686","0.0711","","","","","","1.022","","","","has coordinates","240743","2020-10-21","18:00:00",""
"4130234","10.937","0.004","20.247","0.007","16.033","0.006","90","","92.007","0.007","90","","3548","2","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C36 H54 Si2 U -","- C36 H54 Si2 U -","- C144 H216 Si8 U4 -","4","2","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.0561","0.0433","","","0.0757","0.0812","","","","","","0.968","","","","has coordinates","240743","2020-10-21","18:00:00",""
"4130235","10.638","0.003","17.957","0.005","16.468","0.005","90","","96.93","0.005","90","","3122.8","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Si2 U -","- C30 H48 Si2 U -","- C120 H192 Si8 U4 -","4","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.0517","0.0391","","","0.0855","0.091","","","","","","0.972","","","","has coordinates","240743","2020-10-21","18:00:00",""
"4130236","10.067","0.003","13.204","0.004","15.629","0.005","91.041","0.006","93.523","0.005","106.663","0.005","1985.1","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H52 N2 U -","- C46 H52 N2 U -","- C92 H104 N4 U2 -","2","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.0476","0.0365","","","0.0716","0.0759","","","","","","1.017","","","","has coordinates","240743","2020-10-21","18:00:00",""
"4130237","10","0.005","10.239","0.005","30.016","0.015","88.261","0.01","88.141","0.01","89.215","0.011","3070","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H92 N4 U2 -","- C72 H92 N4 U2 -","- C144 H184 N8 U4 -","2","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.1127","0.0657","","","0.1267","0.1461","","","","","","1.01","","","","has coordinates,has disorder","240743","2020-10-21","18:00:00",""
"4130238","10.435","0.004","20.16","0.009","20.298","0.009","64.74","0.008","83.339","0.009","82.279","0.008","3819","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H50 N2 U -","- C46 H50 N2 U -","- C184 H200 N8 U4 -","4","2","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.1143","0.0577","","","0.0992","0.1185","","","","","","0.943","","","","has coordinates","240743","2020-10-21","18:00:00",""
"4130239","11.055","0.004","15.371","0.006","17.245","0.007","90","","90.119","0.007","90","","2930","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H51 N3 U -","- C30 H51 N3 U -","- C120 H204 N12 U4 -","4","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.052","0.0359","","","0.0685","0.0742","","","","","","0.974","","","","has coordinates","240743","2020-10-21","18:00:00",""
"4130240","18.785","0.006","11.512","0.004","19.584","0.006","90","","101.439","0.005","90","","4151","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H70 N2 Si2 U -","- C41 H70 N2 Si2 U -","- C164 H280 N8 Si8 U4 -","4","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.0619","0.041","","","0.0871","0.0957","","","","","","1.034","","","","has coordinates,has disorder","240743","2020-10-21","18:00:00",""
"4130241","10.2536","0.0017","14.957","0.003","20.016","0.003","90","","95.213","0.003","90","","3057","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 N2 U -","- C34 H44 N2 U -","- C136 H176 N8 U4 -","4","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.0585","0.0332","","","0.0623","0.0693","","","","","","0.97","","","","has coordinates,has disorder","240743","2020-10-21","18:00:00",""
"4130242","10.4496","0.0005","21.0182","0.001","23.6119","0.001","114.188","0.002","96.984","0.003","97.993","0.002","4592.2","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C206 H162 N4 -","- C206 H162 N4 -","- C206 H162 N4 -","1","0.5","","Jiang, Xing; O'Brien, Zachary J; Yang, Song; Lai, Lan Huong; Buenaflor, Jeffrey; Tan, Colleen; Khan, Saeed; Houk, K. N.; Garcia-Garibay, Miguel A","Crystal Fluidity Reflected by Fast Rotational Motion at the Core, Branches, and Peripheral Aromatic Groups of a Dendrimeric Molecular Rotor.","Journal of the American Chemical Society","2016","138","13","4650","4656","10.1021/jacs.6b01398","","","1.54178","CuKα","","0.061","0.0492","","","0.1397","0.1487","","","","","","1.054","","","","has coordinates,has disorder","240744","2020-10-21","18:00:00",""
"4130243","6.90752","0.00009","7.97355","0.00009","15.9186","0.0002","90","","100.406","0.0012","90","","862.336","0.019","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C42 H44 N4 O8 -","2","1","","Kirillova, Mariia S.; Muratore, Michael E.; Dorel, Ruth; Echavarren, Antonio M.","Concise Total Synthesis of Lundurines A-C Enabled by Gold Catalysis and a Homodienyl Retro-Ene/Ene Isomerization.","Journal of the American Chemical Society","2016","138","11","3671","3674","10.1021/jacs.6b01428","","","0.7107","MoKα","","0.0331","0.0286","","","0.0825","0.0849","","","","","","1.024","","","","has coordinates,has disorder","240745","2020-10-21","18:00:00",""
"4130244","10.2983","0.0009","8.8605","0.0008","12.0623","0.0011","90","","93.01","0.003","90","","1099.14","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H29 I N2 O3 -","- C22 H29 I N2 O3 -","- C44 H58 I2 N4 O6 -","2","1","","Kirillova, Mariia S.; Muratore, Michael E.; Dorel, Ruth; Echavarren, Antonio M.","Concise Total Synthesis of Lundurines A-C Enabled by Gold Catalysis and a Homodienyl Retro-Ene/Ene Isomerization.","Journal of the American Chemical Society","2016","138","11","3671","3674","10.1021/jacs.6b01428","","","0.71073","MoKα","","0.0942","0.0798","","","0.1982","0.21","","","","","","1.031","","","","has coordinates,has disorder","240746","2020-10-21","18:00:00",""
"4130245","20.6494","0.0003","12.6339","0.0002","6.81766","0.00011","90","","90","","90","","1778.61","0.05","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C84 H88 N8 O16 -","4","1","","Kirillova, Mariia S.; Muratore, Michael E.; Dorel, Ruth; Echavarren, Antonio M.","Concise Total Synthesis of Lundurines A-C Enabled by Gold Catalysis and a Homodienyl Retro-Ene/Ene Isomerization.","Journal of the American Chemical Society","2016","138","11","3671","3674","10.1021/jacs.6b01428","","","0.7107","MoKα","","0.0385","0.0316","","","0.0879","0.0912","","","","","","1.044","","","","has coordinates","240747","2020-10-21","18:00:00",""
"4130246","5.8695","0.0003","9.7673","0.0005","33.518","0.0018","90","","90","","90","","1921.56","0.17","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O6 -","- C21 H20 N2 O6 -","- C84 H80 N8 O24 -","4","1","","Park, Jung-Woo; Chen, Zhiwei; Dong, Vy M.","Rhodium-Catalyzed Enantioselective Cycloisomerization to Cyclohexenes Bearing Quaternary Carbon Centers.","Journal of the American Chemical Society","2016","138","10","3310","3313","10.1021/jacs.6b01445","","","0.71073","MoKα","","0.0334","0.0304","","","0.0742","0.076","","","","","","1.032","","","","has coordinates","240748","2020-10-21","18:00:00",""
"4130247","5.7277","0.0003","6.9124","0.0004","15.0468","0.0009","90","","97.42","0.004","90","","590.75","0.06","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C28 H22 N2 O8 -","2","1","","Kawamata, Yu; Hashimoto, Takuya; Maruoka, Keiji","A Chiral Electrophilic Selenium Catalyst for Highly Enantioselective Oxidative Cyclization.","Journal of the American Chemical Society","2016","138","16","5206","5209","10.1021/jacs.6b01462","","","1.54187","CuKα","","0.0613","0.0427","","","0.0929","0.1163","","","","","","1.091","","","","has coordinates","240749","2020-10-21","18:00:00",""
"4130248","6.322","0.003","11.622","0.006","12.849","0.006","97.27","0.02","90.705","0.009","100.009","0.014","921.7","0.8","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","","Kawamata, Yu; Hashimoto, Takuya; Maruoka, Keiji","A Chiral Electrophilic Selenium Catalyst for Highly Enantioselective Oxidative Cyclization.","Journal of the American Chemical Society","2016","138","16","5206","5209","10.1021/jacs.6b01462","","","1.54187","CuKα","","0.0586","0.0503","","","0.1243","0.1271","","","","","","1.039","","","","has coordinates","240750","2020-10-21","18:00:00",""
"4130249","25.1792","0.0005","9.4169","0.0002","32.0162","0.0006","90","","105.52","0.001","90","","7314.6","0.3","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C312 H396 N12 O60 -","12","6","","Kawamata, Yu; Hashimoto, Takuya; Maruoka, Keiji","A Chiral Electrophilic Selenium Catalyst for Highly Enantioselective Oxidative Cyclization.","Journal of the American Chemical Society","2016","138","16","5206","5209","10.1021/jacs.6b01462","","","1.54187","CuKα","","0.1311","0.0706","","","0.1731","0.2536","","","","","","1.077","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4130250","11.885","0.005","14.91","0.006","15.662","0.006","90","","83.841","0.013","90","","2759.4","1.9","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 Al F15 O2 Si -","- C25 H16 Al F15 O2 Si -","- C100 H64 Al4 F60 O8 Si4 -","4","1","","Chen, Jiawei; Falivene, Laura; Caporaso, Lucia; Cavallo, Luigi; Chen, Eugene Y.-X.","Selective Reduction of CO2 to CH4 by Tandem Hydrosilylation with Mixed Al/B Catalysts.","Journal of the American Chemical Society","2016","138","16","5321","5333","10.1021/jacs.6b01497","","","0.71073","MoKα","","0.0399","0.028","","","0.0554","0.0603","","","","","","1.018","","","","has coordinates","240752","2020-10-21","18:00:00",""
"4130251","9.3295","0.0019","10.959","0.002","14.335","0.003","105.772","0.005","90.51","0.006","103.244","0.005","1369","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H16 B F15 O2 Si -","- C25 H16 B F15 O2 Si -","- C50 H32 B2 F30 O4 Si2 -","2","1","","Chen, Jiawei; Falivene, Laura; Caporaso, Lucia; Cavallo, Luigi; Chen, Eugene Y.-X.","Selective Reduction of CO2 to CH4 by Tandem Hydrosilylation with Mixed Al/B Catalysts.","Journal of the American Chemical Society","2016","138","16","5321","5333","10.1021/jacs.6b01497","","","0.71073","MoKα","","0.0688","0.0381","","","0.0726","0.0853","","","","","","1.018","","","","has coordinates","240753","2020-10-21","18:00:00",""
"4130252","11.788","0.006","15.996","0.009","19.544","0.011","90","","102.051","0.017","90","","3604","3","450","2","450","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Fe N8 -","- C40 H34 Fe N8 -","- C160 H136 Fe4 N32 -","4","1","","Travieso-Puente, Raquel; Broekman, J. O. P.; Chang, Mu-Chieh; Demeshko, Serhiy; Meyer, Franc; Otten, Edwin","Spin-Crossover in a Pseudo-tetrahedral Bis(formazanate) Iron Complex.","Journal of the American Chemical Society","2016","138","17","5503","5506","10.1021/jacs.6b01552","","","0.71073","MoKα","","0.1372","0.0561","","","0.1062","0.1443","","","","","","1.023","","","","has coordinates","240754","2020-10-21","18:00:00",""
"4130253","12.1244","0.0007","14.1187","0.0008","18.1921","0.001","90","","93.083","0.002","90","","3109.6","0.3","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C28 H35 Fe0.5 N4.5 -","- C28 H35 Fe0.5 N4.5 -","- C112 H140 Fe2 N18 -","4","1","","Travieso-Puente, Raquel; Broekman, J. O. P.; Chang, Mu-Chieh; Demeshko, Serhiy; Meyer, Franc; Otten, Edwin","Spin-Crossover in a Pseudo-tetrahedral Bis(formazanate) Iron Complex.","Journal of the American Chemical Society","2016","138","17","5503","5506","10.1021/jacs.6b01552","","","0.71073","MoKα","","0.077","0.0625","","","0.1405","0.1496","","","","","","1.132","","","","has coordinates","240755","2020-10-21","18:00:00",""
"4130254","8.5794","0.0003","11.7518","0.0004","33.5114","0.0012","90","","95.9494","0.001","90","","3360.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Fe N8 -","- C40 H34 Fe N8 -","- C160 H136 Fe4 N32 -","4","1","","Travieso-Puente, Raquel; Broekman, J. O. P.; Chang, Mu-Chieh; Demeshko, Serhiy; Meyer, Franc; Otten, Edwin","Spin-Crossover in a Pseudo-tetrahedral Bis(formazanate) Iron Complex.","Journal of the American Chemical Society","2016","138","17","5503","5506","10.1021/jacs.6b01552","","","0.71073","MoKα","","0.0576","0.0442","","","0.0929","0.0979","","","","","","1.105","","","","has coordinates","240756","2020-10-21","18:00:00",""
"4130255","9.271","0.003","8.423","0.003","9.739","0.003","90","","114.214","0.005","90","","693.6","0.4","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C26 H34 N2 O8 S2 -","2","1","","Hatano, Miyuki; Ebe, Yusuke; Nishimura, Takahiro; Yorimitsu, Hideki","Asymmetric Alkylation of N-Sulfonylbenzamides with Vinyl Ethers via C-H Bond Activation Catalyzed by Hydroxoiridium/Chiral Diene Complexes.","Journal of the American Chemical Society","2016","138","12","4010","4013","10.1021/jacs.6b01591","","","1.54187","CuKα","","0.0387","0.0371","","","0.0895","0.0901","","","","","","1.014","","","","has coordinates","240757","2020-10-21","18:00:00",""
"4130256","8.665","0.002","18.938","0.004","21.097","0.005","90","","90","","90","","3462","1.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 N2 O8 S2 -","- C34 H38 N2 O8 S2 -","- C136 H152 N8 O32 S8 -","4","1","","Hatano, Miyuki; Ebe, Yusuke; Nishimura, Takahiro; Yorimitsu, Hideki","Asymmetric Alkylation of N-Sulfonylbenzamides with Vinyl Ethers via C-H Bond Activation Catalyzed by Hydroxoiridium/Chiral Diene Complexes.","Journal of the American Chemical Society","2016","138","12","4010","4013","10.1021/jacs.6b01591","","","1.54187","CuKα","","0.0416","0.0355","","","0.0857","0.0872","","","","","","1.022","","","","has coordinates","240758","2020-10-21","18:00:00",""
"4130257","9.121","0.0014","10.639","0.0016","11.3056","0.0018","67.036","0.004","73.952","0.004","85.831","0.004","970","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C31 H46 B F8 N5 Ru -","- C31 H46 B F8 N5 Ru -","- C31 H46 B F8 N5 Ru -","1","1","","Simonetti, Marco; Perry, Gregory J. P.; Cambeiro, Xacobe C.; Juliá-Hernández, Francisco; Arokianathar, Jude N.; Larrosa, Igor","Ru-Catalyzed C-H Arylation of Fluoroarenes with Aryl Halides.","Journal of the American Chemical Society","2016","138","10","3596","3606","10.1021/jacs.6b01615","","","0.71073","MoKα","","0.0302","0.0293","","","0.0679","0.0684","","","","","","1.02","","","","has coordinates","240759","2020-10-21","18:00:00",""
"4130258","21.221","0.007","13.81","0.004","9.163","0.003","90","","103.056","0.007","90","","2615.9","1.4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C32 H58 Cl10 N6 Ru3 -","- C32 H58 Cl10 N6 Ru3 -","- C64 H116 Cl20 N12 Ru6 -","2","0.25","","Simonetti, Marco; Perry, Gregory J. P.; Cambeiro, Xacobe C.; Juliá-Hernández, Francisco; Arokianathar, Jude N.; Larrosa, Igor","Ru-Catalyzed C-H Arylation of Fluoroarenes with Aryl Halides.","Journal of the American Chemical Society","2016","138","10","3596","3606","10.1021/jacs.6b01615","","","0.71073","MoKα","","0.0867","0.0656","","","0.2019","0.2187","","","","","","1.092","","","","has coordinates","240760","2020-10-21","18:00:00",""
"4130259","10.8977","0.0003","34.0657","0.0011","11.0451","0.0004","90","","90","","90","","4100.4","0.2","150.03","0.1","150.03","0.1","","","","","","","","6","P b a n :2","-P 2ab 2b","50","","","","- C30 H54 B2 F8 N6 Ru -","- C30 H54 B2 F8 N6 Ru -","- C120 H216 B8 F32 N24 Ru4 -","4","0.5","","Simonetti, Marco; Perry, Gregory J. P.; Cambeiro, Xacobe C.; Juliá-Hernández, Francisco; Arokianathar, Jude N.; Larrosa, Igor","Ru-Catalyzed C-H Arylation of Fluoroarenes with Aryl Halides.","Journal of the American Chemical Society","2016","138","10","3596","3606","10.1021/jacs.6b01615","","x-ray","0.71073","MoKα","","0.1126","0.0573","","","0.1217","0.1505","","","","","","1.043","","","","has coordinates,has disorder","240761","2020-10-21","18:00:00",""
"4130260","9.9568","0.0011","10.1815","0.0012","13.3346","0.0015","107.735","0.002","99.041","0.002","94.998","0.003","1258.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","C22 H25 F4 O2 Cl3","","","- C22 H25 Cl3 F4 O2 Ru -","- C22 H25 Cl3 F4 O2 Ru -","- C44 H50 Cl6 F8 O4 Ru2 -","2","1","","Simonetti, Marco; Perry, Gregory J. P.; Cambeiro, Xacobe C.; Juliá-Hernández, Francisco; Arokianathar, Jude N.; Larrosa, Igor","Ru-Catalyzed C-H Arylation of Fluoroarenes with Aryl Halides.","Journal of the American Chemical Society","2016","138","10","3596","3606","10.1021/jacs.6b01615","","","0.71073","MoKα","","0.0217","0.0195","","","0.0478","0.0489","","","","","","1.045","","","","has coordinates","240762","2020-10-21","18:00:00",""
"4130261","7.8369","0.0018","11.551","0.003","14.045","0.003","109.829","0.003","96.058","0.003","107.644","0.003","1108.6","0.5","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H21 Cl5 Fe O3 -","- C19 H21 Cl5 Fe O3 -","- C38 H42 Cl10 Fe2 O6 -","2","2","","Landry, Matthew L.; Hu, Dennis X.; McKenna, Grace M.; Burns, Noah Z.","Catalytic Enantioselective Dihalogenation and the Selective Synthesis of (-)-Deschloromytilipin A and (-)-Danicalipin A.","Journal of the American Chemical Society","2016","138","15","5150","5158","10.1021/jacs.6b01643","","","0.71073","MoKα","","0.0257","0.0228","","","0.0495","0.0506","","","","","","0.963","","","","has coordinates","240763","2020-10-21","18:00:00",""
"4130262","21.3275","0.001","5.0556","0.0002","18.7396","0.0011","90","","110.71","0.003","90","","1890","0.16","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H16 Br Cl5 O3 -","- C15 H16 Br Cl5 O3 -","- C60 H64 Br4 Cl20 O12 -","4","1","","Landry, Matthew L.; Hu, Dennis X.; McKenna, Grace M.; Burns, Noah Z.","Catalytic Enantioselective Dihalogenation and the Selective Synthesis of (-)-Deschloromytilipin A and (-)-Danicalipin A.","Journal of the American Chemical Society","2016","138","15","5150","5158","10.1021/jacs.6b01643","","","0.71073","MoKα","","0.0237","0.0204","","","0.0446","0.0455","","","","","","1.048","","","","has coordinates","240764","2020-10-21","18:00:00",""
"4130263","7.2028","0.0003","28.4716","0.0011","11.0949","0.0005","90","","90.106","0.002","90","","2275.29","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Br5 Fe O3 -","- C19 H21 Br5 Fe O3 -","- C76 H84 Br20 Fe4 O12 -","4","1","","Landry, Matthew L.; Hu, Dennis X.; McKenna, Grace M.; Burns, Noah Z.","Catalytic Enantioselective Dihalogenation and the Selective Synthesis of (-)-Deschloromytilipin A and (-)-Danicalipin A.","Journal of the American Chemical Society","2016","138","15","5150","5158","10.1021/jacs.6b01643","","","0.71073","MoKα","","0.0397","0.0301","","","0.067","0.0698","","","","","","1.11","","","","has coordinates","240765","2020-10-21","18:00:00",""
"4130264","21.9618","0.0012","5.2143","0.0003","18.6577","0.0011","90","","110.597","0.003","90","","2000","0.2","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H16 Br6 O3 -","- C15 H16 Br6 O3 -","- C60 H64 Br24 O12 -","4","1","","Landry, Matthew L.; Hu, Dennis X.; McKenna, Grace M.; Burns, Noah Z.","Catalytic Enantioselective Dihalogenation and the Selective Synthesis of (-)-Deschloromytilipin A and (-)-Danicalipin A.","Journal of the American Chemical Society","2016","138","15","5150","5158","10.1021/jacs.6b01643","","","0.71073","MoKα","","0.0227","0.0197","","","0.0399","0.0407","","","","","","0.999","","","","has coordinates","240766","2020-10-21","18:00:00",""
"4130265","13.547","0.003","14.829","0.003","15.76","0.003","111.55","0.03","93.03","0.03","98.03","0.03","2897.1","1.3","173.15","","173.15","","","","","","","","","8","P 1","P 1","1","","","","- C127 H112 Au6 B2 F8 N2 O2 P6 -","- C127 H112 Au6 B2 F8 N2 O2 P6 -","- C127 H112 Au6 B2 F8 N2 O2 P6 -","1","1","","He, Xin; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Structurally Well-Defined Sigmoidal Gold Clusters: Probing the Correlation between Metal Atom Arrangement and Chiroptical Response.","Journal of the American Chemical Society","2016","138","17","5634","5643","10.1021/jacs.6b01658","","","0.71073","MoKα","","0.0436","0.0422","","","0.0925","0.0965","","","","","","1.052","","","","has coordinates,has disorder","240767","2020-10-21","18:00:00",""
"4130266","16.145","0.003","17.072","0.003","41.943","0.008","90","","90","","90","","11561","4","173.15","","173.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C114 H100 Au6 B2 F8 N2 P6 -","- C114 H100 Au6 B2 F8 N2 P6 -","- C456 H400 Au24 B8 F32 N8 P24 -","4","1","","He, Xin; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Structurally Well-Defined Sigmoidal Gold Clusters: Probing the Correlation between Metal Atom Arrangement and Chiroptical Response.","Journal of the American Chemical Society","2016","138","17","5634","5643","10.1021/jacs.6b01658","","","0.71073","MoKα","","0.0915","0.0762","","","0.2","0.2188","","","","","","1.053","","","","has coordinates","240767","2020-10-21","18:00:00",""
"4130267","14.004","0.003","17.94","0.004","24.92","0.005","90","","105.84","0.03","90","","6023","2","173.15","","173.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C124 H102 Au6 B2 F8 N2 P6 -","- C124 H102 Au6 B2 F8 N2 P6 -","- C248 H204 Au12 B4 F16 N4 P12 -","2","1","","He, Xin; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Structurally Well-Defined Sigmoidal Gold Clusters: Probing the Correlation between Metal Atom Arrangement and Chiroptical Response.","Journal of the American Chemical Society","2016","138","17","5634","5643","10.1021/jacs.6b01658","","","0.71073","MoKα","","0.0747","0.071","","","0.1843","0.1907","","","","","","1.091","","","","has coordinates","240767","2020-10-21","18:00:00",""
"4130268","22.493","0.005","12.072","0.002","22.686","0.005","90","","103.45","0.03","90","","5991","2","173.15","","173.15","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C64 H58 Au3 B F4 N O0.5 P3 -","- C64 H58 Au3 B F4 N O0.5 P3 -","- C256 H232 Au12 B4 F16 N4 O2 P12 -","4","1","","He, Xin; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Structurally Well-Defined Sigmoidal Gold Clusters: Probing the Correlation between Metal Atom Arrangement and Chiroptical Response.","Journal of the American Chemical Society","2016","138","17","5634","5643","10.1021/jacs.6b01658","","","0.71073","MoKα","","0.0517","0.0498","","","0.117","0.1195","","","","","","1.056","","","","has coordinates","240767","2020-10-21","18:00:00",""
"4130269","59.465","0.012","21.294","0.004","47.96","0.01","90","","114.67","0.03","90","","55186","2","173.15","","173.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C118 H96 Ag2 Au6 B4 F16 N8 P6 -","- C118 H96 Ag2 Au6 B4 F16 N8 P6 -","- C1888 H1536 Ag32 Au96 B64 F256 N128 P96 -","16","2","","He, Xin; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Structurally Well-Defined Sigmoidal Gold Clusters: Probing the Correlation between Metal Atom Arrangement and Chiroptical Response.","Journal of the American Chemical Society","2016","138","17","5634","5643","10.1021/jacs.6b01658","","","0.71073","MoKα","","0.102","0.0814","","","0.2119","0.2287","","","","","","1.051","","","","has coordinates,has disorder","240767","2020-10-21","18:00:00",""
"4130270","28.1991","0.0007","28.1991","0.0007","28.1991","0.0007","90","","90","","90","","22423.6","1","100.01","0.1","100.01","0.1","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C40 H28 O16 Zr3 -","- C40 H28 O16 Zr3 -","- C240 H168 O96 Zr18 -","6","0.125","","Wang, Bin; Lv, Xiu-Liang; Feng, Dawei; Xie, Lin-Hua; Zhang, Jian; Li, Ming; Xie, Yabo; Li, Jian-Rong; Zhou, Hong-Cai","Highly Stable Zr(IV)-Based Metal-Organic Frameworks for the Detection and Removal of Antibiotics and Organic Explosives in Water.","Journal of the American Chemical Society","2016","138","19","6204","6216","10.1021/jacs.6b01663","","","1.54184","CuKα","","0.119","0.0958","","","0.2508","0.271","","","","","","1.077","","","","has coordinates,has disorder","240768","2020-10-21","18:00:00",""
"4130271","15.0822","0.0009","6.6857","0.0004","22.5771","0.0013","90","","93.476","0.002","90","","2272.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 N2 O5 S -","- C25 H26 N2 O5 S -","- C100 H104 N8 O20 S4 -","4","1","","Ding, Dong; Mou, Tao; Feng, Minghao; Jiang, Xuefeng","Utility of Ligand Effect in Homogenous Gold Catalysis: Enabling Regiodivergent π-Bond-Activated Cyclization.","Journal of the American Chemical Society","2016","138","16","5218","5221","10.1021/jacs.6b01707","","","0.71073","MoKα","","0.0655","0.0422","","","0.1086","0.1256","","","","","","1.023","","","","has coordinates","240769","2020-10-21","18:00:00",""
"4130272","12.9837","0.0006","9.529","0.0004","17.8751","0.0008","90","","108.758","0.002","90","","2094.07","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N2 O4 S -","- C24 H22 N2 O4 S -","- C96 H88 N8 O16 S4 -","4","1","","Ding, Dong; Mou, Tao; Feng, Minghao; Jiang, Xuefeng","Utility of Ligand Effect in Homogenous Gold Catalysis: Enabling Regiodivergent π-Bond-Activated Cyclization.","Journal of the American Chemical Society","2016","138","16","5218","5221","10.1021/jacs.6b01707","","","0.71073","MoKα","","0.0627","0.0383","","","0.0901","0.1036","","","","","","1.033","","","","has coordinates","240770","2020-10-21","18:00:00",""
"4130273","13.2698","0.0006","7.9678","0.0003","18.6432","0.0008","90","","102.755","0.001","90","","1922.52","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C92 H84 N4 O12 S4 -","4","1","","Ding, Dong; Mou, Tao; Feng, Minghao; Jiang, Xuefeng","Utility of Ligand Effect in Homogenous Gold Catalysis: Enabling Regiodivergent π-Bond-Activated Cyclization.","Journal of the American Chemical Society","2016","138","16","5218","5221","10.1021/jacs.6b01707","","","0.71073","MoKα","","0.0778","0.0578","","","0.1694","0.1896","","","","","","1.04","","","","has coordinates","240771","2020-10-21","18:00:00",""
"4130274","18.7913","0.0012","18.7913","0.0012","11.3257","0.0006","90","","90","","120","","3463.5","0.4","296","2","296","2","","","","","","","","5","P 64","P 64","172","","","","- C24 H22 N2 O4 S -","- C24 H22 N2 O4 S -","- C144 H132 N12 O24 S6 -","6","1","","Ding, Dong; Mou, Tao; Feng, Minghao; Jiang, Xuefeng","Utility of Ligand Effect in Homogenous Gold Catalysis: Enabling Regiodivergent π-Bond-Activated Cyclization.","Journal of the American Chemical Society","2016","138","16","5218","5221","10.1021/jacs.6b01707","","","0.71073","MoKα","","0.1426","0.0514","","","0.0774","0.1031","","","","","","1.047","","","","has coordinates","240772","2020-10-21","18:00:00",""
"4130275","12.8","0.0003","4.5826","0.0002","28.8266","0.0011","90","","96.488","0.003","90","","1680.06","0.11","175","","175","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H28 N4 O2 -","- C14 H28 N4 O2 -","- C56 H112 N16 O8 -","4","2","","Licsandru, Erol; Kocsis, Istvan; Shen, Yue-Xiao; Murail, Samuel; Legrand, Yves-Marie; van der Lee, Arie; Tsai, Daniel; Baaden, Marc; Kumar, Manish; Barboiu, Mihail","Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation.","Journal of the American Chemical Society","2016","138","16","5403","5409","10.1021/jacs.6b01811","","","0.78965","synchrotron","","0.1762","0.154","","0.2064","0.1687","0.1687","","","","","","1.0674","","","","has coordinates","240773","2020-10-21","18:00:00",""
"4130276","30.18","0.002","4.5911","0.0002","23.9057","0.0014","90","","107.482","0.006","90","","3159.4","0.3","175","","175","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 N4 O1.5 -","- C14 H27 N4 O1.5 -","- C112 H216 N32 O12 -","8","2","","Licsandru, Erol; Kocsis, Istvan; Shen, Yue-Xiao; Murail, Samuel; Legrand, Yves-Marie; van der Lee, Arie; Tsai, Daniel; Baaden, Marc; Kumar, Manish; Barboiu, Mihail","Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation.","Journal of the American Chemical Society","2016","138","16","5403","5409","10.1021/jacs.6b01811","","","1.5418","CuKα","","0.125","0.1115","","0.0916","0.0831","0.0831","","","","","","0.9692","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4130277","27.684","0.004","4.5906","0.0004","23.937","0.003","90","","113.395","0.015","90","","2792","0.7","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8.73 H16.73 N2.91 O1.09 -","- C8.72727 H16.7273 N2.90909 O1.09091 -","- C96 H184 N32 O12 -","11","2.75","","Licsandru, Erol; Kocsis, Istvan; Shen, Yue-Xiao; Murail, Samuel; Legrand, Yves-Marie; van der Lee, Arie; Tsai, Daniel; Baaden, Marc; Kumar, Manish; Barboiu, Mihail","Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation.","Journal of the American Chemical Society","2016","138","16","5403","5409","10.1021/jacs.6b01811","","","1.5418","CuKα","","0.1019","0.0713","","0.202","0.1849","0.1849","","","","","","0.9258","","","","has coordinates","240775","2020-10-21","18:00:00",""
"4130278","11.2054","0.0008","5.6226","0.0007","17.6834","0.0014","90","","93.73","0.006","90","","1111.76","0.18","175","","175","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N4 O -","- C10 H18 N4 O -","- C40 H72 N16 O4 -","4","1","","Licsandru, Erol; Kocsis, Istvan; Shen, Yue-Xiao; Murail, Samuel; Legrand, Yves-Marie; van der Lee, Arie; Tsai, Daniel; Baaden, Marc; Kumar, Manish; Barboiu, Mihail","Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation.","Journal of the American Chemical Society","2016","138","16","5403","5409","10.1021/jacs.6b01811","","","0.71073","MoKα","","0.0889","0.077","","0.0831","0.0786","0.0786","","","","","","0.9704","","","","has coordinates","240776","2020-10-21","18:00:00",""
"4130279","12.766","0.004","4.5679","0.0011","28.756","0.007","90","","96.47","0.02","90","","1666.2","0.8","125","","125","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H28 N4 O2 -","- C13.9983 H28.0034 N4 O2.0034 -","- C55.9932 H112.014 N16 O8.0136 -","4","2","","Licsandru, Erol; Kocsis, Istvan; Shen, Yue-Xiao; Murail, Samuel; Legrand, Yves-Marie; van der Lee, Arie; Tsai, Daniel; Baaden, Marc; Kumar, Manish; Barboiu, Mihail","Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation.","Journal of the American Chemical Society","2016","138","16","5403","5409","10.1021/jacs.6b01811","","","0.78965","synchrotron","","0.126","0.0922","","0.1509","0.1094","0.1094","","","","","","1.0948","","","","has coordinates,has disorder","240777","2020-10-21","18:00:00",""
"4130280","8.3","0.0005","20.7517","0.0013","15.9111","0.001","90","","107.372","0.002","90","","2615.5","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 F3 N4 O -","- C30 H29 F3 N4 O -","- C120 H116 F12 N16 O4 -","4","1","","Radkov, Vasily; Roisnel, Thierry; Trifonov, Alexander; Carpentier, Jean-François; Kirillov, Evgueni","Tandem C(sp(2))-OMe Activation/C(sp(2))-C(sp(2)) Coupling in Early Transition-Metal Complexes: Aromatic C-O Activation beyond Late Transition Metals.","Journal of the American Chemical Society","2016","138","13","4350","4353","10.1021/jacs.6b01877","","x-ray","0.71073","MoKα","","0.0768","0.0463","","","0.1025","0.1164","","","","","","1.018","","","","has coordinates","240778","2020-10-21","18:00:00",""
"4130281","12.2688","0.0004","14.9603","0.0004","17.3736","0.0005","90.797","0.002","91.86","0.001","96.201","0.001","3168.02","0.16","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C60 H55 F6 N8 O2 Y -","- C60 H55 F6 N8 O2 Y -","- C120 H110 F12 N16 O4 Y2 -","2","1","","Radkov, Vasily; Roisnel, Thierry; Trifonov, Alexander; Carpentier, Jean-François; Kirillov, Evgueni","Tandem C(sp(2))-OMe Activation/C(sp(2))-C(sp(2)) Coupling in Early Transition-Metal Complexes: Aromatic C-O Activation beyond Late Transition Metals.","Journal of the American Chemical Society","2016","138","13","4350","4353","10.1021/jacs.6b01877","","x-ray","0.71073","MoKα","","0.0867","0.055","","","0.1407","0.1505","","","","","","1.039","","","","has coordinates,has disorder","240778","2020-10-21","18:00:00",""
"4130282","11.8165","0.0018","13.72","0.002","22.645","0.004","73.837","0.006","84.453","0.006","64.67","0.006","3186.1","0.9","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C75 H70 F6 N8 O2 Sc -","- C75 H70 F6 N8 O2 Sc -","- C150 H140 F12 N16 O4 Sc2 -","2","1","","Radkov, Vasily; Roisnel, Thierry; Trifonov, Alexander; Carpentier, Jean-François; Kirillov, Evgueni","Tandem C(sp(2))-OMe Activation/C(sp(2))-C(sp(2)) Coupling in Early Transition-Metal Complexes: Aromatic C-O Activation beyond Late Transition Metals.","Journal of the American Chemical Society","2016","138","13","4350","4353","10.1021/jacs.6b01877","","x-ray","0.71073","MoKα","","0.1975","0.1009","","","0.2576","0.3056","","","","","","1.036","","","","has coordinates","240778","2020-10-21","18:00:00",""
"4130283","13.0597","0.0005","13.0509","0.0005","33.9213","0.0014","83.98","0.002","82.797","0.002","75.68","0.002","5541.3","0.4","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C125 H111 F12 N16 Y2 -","- C125 H111 F12 N16 Y2 -","- C250 H222 F24 N32 Y4 -","2","1","","Radkov, Vasily; Roisnel, Thierry; Trifonov, Alexander; Carpentier, Jean-François; Kirillov, Evgueni","Tandem C(sp(2))-OMe Activation/C(sp(2))-C(sp(2)) Coupling in Early Transition-Metal Complexes: Aromatic C-O Activation beyond Late Transition Metals.","Journal of the American Chemical Society","2016","138","13","4350","4353","10.1021/jacs.6b01877","","x-ray","0.71073","MoKα","","0.25","0.088","","","0.1761","0.2455","","","","","","0.944","","","","has coordinates","240778","2020-10-21","18:00:00",""
"4130284","12.0429","0.0007","13.815","0.0007","17.6182","0.001","75.629","0.002","79.249","0.002","88.76","0.002","2788.7","0.3","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C62 H61 F6 N8 O Sc -","- C62 H61 F6 N8 O Sc -","- C124 H122 F12 N16 O2 Sc2 -","2","1","","Radkov, Vasily; Roisnel, Thierry; Trifonov, Alexander; Carpentier, Jean-François; Kirillov, Evgueni","Tandem C(sp(2))-OMe Activation/C(sp(2))-C(sp(2)) Coupling in Early Transition-Metal Complexes: Aromatic C-O Activation beyond Late Transition Metals.","Journal of the American Chemical Society","2016","138","13","4350","4353","10.1021/jacs.6b01877","","x-ray","0.71073","MoKα","","0.0688","0.0484","","","0.1161","0.1274","","","","","","1.049","","","","has coordinates","240778","2020-10-21","18:00:00",""
"4130285","7.127","0.002","7.465","0.002","11.374","0.004","96.247","0.004","90.085","0.004","100.706","0.004","590.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H18 Cl2 O4 -","- C29 H18 Cl2 O4 -","- C29 H18 Cl2 O4 -","1","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0518","0.0466","","","0.1224","0.1268","","","","","","1.044","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130286","8.6953","0.0014","8.849","0.0014","20.955","0.003","83.764","0.002","81.19","0.002","89.372","0.002","1583.9","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H36 O6 -","- C36 H36 O6 -","- C72 H72 O12 -","2","1","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.1194","0.0673","","","0.1776","0.2063","","","","","","1.034","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130287","16.538","0.01","6.995","0.004","22.907","0.014","90","","106.113","0.006","90","","2546","3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 O5 -","- C31 H22 O5 -","- C124 H88 O20 -","4","1","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0741","0.0458","","","0.105","0.1172","","","","","","1.028","","","","has coordinates","240779","2020-10-21","18:00:00",""
"4130288","9.613","0.005","13.191","0.007","13.847","0.007","70.53","0.006","89.281","0.006","79.425","0.006","1625.1","1.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C76 H72 O17 -","- C76 H72 O17 -","- C76 H72 O17 -","1","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.1067","0.0585","","","0.1411","0.1677","","","","","","1.013","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130289","7.8633","0.0011","12.4758","0.0018","14.475","0.002","87.013","0.002","79.31","0.002","78.04","0.002","1364.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H38 Cl6 O12 -","- C59 H38 Cl6 O12 -","- C59 H38 Cl6 O12 -","1","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.1065","0.077","","","0.191","0.2109","","","","","","1.114","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130290","8.0494","0.0017","12.367","0.003","14.371","0.003","87.308","0.002","76.651","0.002","77.2","0.003","1357.3","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C65 H50 O19 -","- C65 H50 O19 -","- C65 H50 O19 -","1","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0914","0.0662","","","0.1765","0.1938","","","","","","1.086","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130291","9.2751","0.0014","11.8804","0.0018","13.115","0.002","103.213","0.002","104.214","0.002","112.564","0.002","1206.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H28 I4 O8 -","- C56 H28 I4 O8 -","- C56 H28 I4 O8 -","1","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0294","0.0232","","","0.0542","0.057","","","","","","1.026","","","","has coordinates","240779","2020-10-21","18:00:00",""
"4130292","38.92","0.02","4.918","0.003","38.53","0.02","90","","101.655","0.012","90","","7223","7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H46 N4 O14 -","- C70 H46 N4 O14 -","- C280 H184 N16 O56 -","4","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.1166","0.0729","","","0.1852","0.2056","","","","","","0.962","","","","has coordinates","240779","2020-10-21","18:00:00",""
"4130293","8.896","0.003","9.089","0.003","10.731","0.004","88.821","0.004","89.682","0.005","85.649","0.004","865","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H30 N4 O6 -","- C42 H30 N4 O6 -","- C42 H30 N4 O6 -","1","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0432","0.0381","","","0.0982","0.1019","","","","","","1.018","","","","has coordinates","240779","2020-10-21","18:00:00",""
"4130294","21.686","0.009","4.784","0.002","27.556","0.013","90","","102.913","0.01","90","","2787","2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C60 H44 N4 O8 -","- C60 H44 N4 O8 -","- C120 H88 N8 O16 -","2","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0994","0.0754","","","0.1932","0.2067","","","","","","1.04","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130295","9.9571","0.001","17.4414","0.0019","42.952","0.005","90","","90","","90","","7459.3","1.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C68 H60 N4 O10 -","- C68 H60 N4 O10 -","- C272 H240 N16 O40 -","4","1","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0935","0.0718","","","0.2008","0.2147","","","","","","1.037","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130296","10.0954","0.0013","16.195","0.002","16.93","0.002","105.474","0.002","95.831","0.002","91.576","0.002","2649.5","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H68 N4 O8 -","- C56 H68 N4 O8 -","- C112 H136 N8 O16 -","2","1","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.1279","0.0764","","","0.1951","0.2157","","","","","","1.094","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130297","25.112","0.007","25.112","0.007","8.489","0.003","90","","90","","90","","5353","3","100","2","100","2","","","","","","","","4","I -4","I -4","82","","","","- C56 H36 N4 O8 -","- C56 H36 N4 O8 -","- C224 H144 N16 O32 -","4","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.1078","0.0637","","","0.1556","0.1738","","","","","","1.073","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130298","10.2111","0.0008","10.4183","0.0008","16.01","0.0012","78.912","0.001","83.712","0.001","72.751","0.001","1593.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H68 N4 O16 -","- C72 H68 N4 O16 -","- C72 H68 N4 O16 -","1","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0499","0.0395","","","0.099","0.1058","","","","","","1.027","","","","has coordinates","240779","2020-10-21","18:00:00",""
"4130299","12.1652","0.0003","12.9516","0.0003","15.5693","0.0003","73.1952","0.0012","74.4114","0.0014","77.2486","0.0012","2234.56","0.09","93","","93","","","","","","","","","6","P -1","-P 1","2","","[Cu(PPh2Pr)2dmp]2(PF6)2","","- C96 H96 Cu2 F12 N8 P6 -","- C96 H96 Cu2 F12 N8 P6 -","- C96 H96 Cu2 F12 N8 P6 -","1","0.5","","Takeda, Hiroyuki; Ohashi, Kenji; Sekine, Akiko; Ishitani, Osamu","Photocatalytic CO2 Reduction Using Cu(I) Photosensitizers with a Fe(II) Catalyst.","Journal of the American Chemical Society","2016","138","13","4354","4357","10.1021/jacs.6b01970","","","1.54184","CuKα","","0.0952","0.0685","","","0.1533","0.1661","","","","","","1.002","","","","has coordinates,has disorder","240781","2020-10-21","18:00:00",""
"4130300","9.6839","0.00018","15.3663","0.0003","27.7105","0.0005","90","","96.276","0.0007","90","","4098.77","0.13","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Cu(dmp)(PPh2Pr)2(PF6)]","","- C44 H46 Cu F6 N2 P3 -","- C44 H46 Cu F6 N2 P3 -","- C176 H184 Cu4 F24 N8 P12 -","4","1","","Takeda, Hiroyuki; Ohashi, Kenji; Sekine, Akiko; Ishitani, Osamu","Photocatalytic CO2 Reduction Using Cu(I) Photosensitizers with a Fe(II) Catalyst.","Journal of the American Chemical Society","2016","138","13","4354","4357","10.1021/jacs.6b01970","","","1.54184","CuKα","","0.033","0.0311","","","0.0811","0.0825","","","","","","1.083","","","","has coordinates","240781","2020-10-21","18:00:00",""
"4130301","22.9556","0.0013","22.9556","0.0013","15.883","0.002","90","","90","","120","","7248.4","1.1","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C24 H6 O18 Zn6 -","- C24 H6 O18 Zn6 -","- C144 H36 O108 Zn36 -","6","0.166667","","Luo, Feng; Yan, Changsheng; Dang, Lilong; Krishna, Rajamani; Zhou, Wei; Wu, Hui; Dong, Xinglong; Han, Yu; Hu, Tong-Liang; O'Keeffe, Michael; Wang, Lingling; Luo, Mingbiao; Lin, Rui-Biao; Chen, Banglin","UTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation.","Journal of the American Chemical Society","2016","138","17","5678","5684","10.1021/jacs.6b02030","","","0.71073","MoKα","","0.144","0.1221","","","0.2445","0.2588","","","","","","0.915","","","","has coordinates","240782","2020-10-21","18:00:00",""
"4130302","22.9511","0.0008","22.9511","0.0008","15.8965","0.0011","90","","90","","120","","7251.7","0.6","120","2","120","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C27 H6 O24 Zn6 -","- C27 H6 O24 Zn6 -","- C162 H36 O144 Zn36 -","6","0.166667","","Luo, Feng; Yan, Changsheng; Dang, Lilong; Krishna, Rajamani; Zhou, Wei; Wu, Hui; Dong, Xinglong; Han, Yu; Hu, Tong-Liang; O'Keeffe, Michael; Wang, Lingling; Luo, Mingbiao; Lin, Rui-Biao; Chen, Banglin","UTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation.","Journal of the American Chemical Society","2016","138","17","5678","5684","10.1021/jacs.6b02030","","","0.71073","MoKα","","0.1812","0.1631","","","0.3024","0.3099","","","","","","1.282","","","","has coordinates","240783","2020-10-21","18:00:00",""
"4130303","22.917","0.0004","22.917","0.0004","15.9024","0.0005","90","","90","","120","","7232.8","0.3","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C12 H3 O10.5 Zn3 -","- C12 H3 O10.5 Zn3 -","- C144 H36 O126 Zn36 -","12","0.333333","","Luo, Feng; Yan, Changsheng; Dang, Lilong; Krishna, Rajamani; Zhou, Wei; Wu, Hui; Dong, Xinglong; Han, Yu; Hu, Tong-Liang; O'Keeffe, Michael; Wang, Lingling; Luo, Mingbiao; Lin, Rui-Biao; Chen, Banglin","UTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation.","Journal of the American Chemical Society","2016","138","17","5678","5684","10.1021/jacs.6b02030","","","0.71073","MoKα","","0.0795","0.0772","","","0.1717","0.1727","","","","","","1.215","","","","has coordinates","240784","2020-10-21","18:00:00",""
"4130304","6.2267","0.0004","6.7164","0.0005","13.4269","0.0009","77.552","0.003","80.072","0.003","68.189","0.002","506.43","0.06","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C23 H38 O3 -","- C23 H38 O3 -","- C23 H38 O3 -","1","1","","Obradors, Carla; Martinez, Ruben M.; Shenvi, Ryan A.","Ph(i-PrO)SiH2: An Exceptional Reductant for Metal-Catalyzed Hydrogen Atom Transfers.","Journal of the American Chemical Society","2016","138","14","4962","4971","10.1021/jacs.6b02032","","x-ray","1.54178","CuKα","","0.0309","0.0309","","","0.0841","0.0842","","","","","","1.06","","","","has coordinates","240785","2020-10-21","18:00:00",""
"4130305","6.7858","0.0009","7.7709","0.001","8.1797","0.001","112.386","0.006","91.911","0.006","96.499","0.009","394.89","0.09","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C19 H21 N O3 -","1","1","","Hayashi, Masaki; Bachman, Shoshana; Hashimoto, Satoshi; Eichman, Chad C.; Stoltz, Brian M.","Ni-Catalyzed Enantioselective C-Acylation of α-Substituted Lactams.","Journal of the American Chemical Society","2016","138","29","8997","9000","10.1021/jacs.6b02120","","","1.54178","CuKα","","0.0296","0.0285","","","0.0697","0.0703","","","","","","1.092","","","","has coordinates","240786","2020-10-21","18:00:00",""
"4130306","14.397","0.004","14.582","0.004","14.95","0.004","77.601","0.009","71.245","0.009","79.726","0.009","2882.2","1.4","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C67 H72 Cl2 N4 O4 Zn -","- C67 H72 Cl2 N4 O4 Zn -","- C134 H144 Cl4 N8 O8 Zn2 -","2","1","","Sakamoto, Ryota; Iwashima, Toshiki; Kögel, Julius F; Kusaka, Shinpei; Tsuchiya, Mizuho; Kitagawa, Yasutaka; Nishihara, Hiroshi","Dissymmetric Bis(dipyrrinato)zinc(II) Complexes: Rich Variety and Bright Red to Near-Infrared Luminescence with a Large Pseudo-Stokes Shift.","Journal of the American Chemical Society","2016","138","17","5666","5677","10.1021/jacs.6b02128","","","0.7107","MoKα","","","0.0615","","","","0.1649","","","","","","1.068","","","","has coordinates","240787","2020-10-21","18:00:00",""
"4130307","11.873","0.005","13.492","0.005","18.85","0.007","94.685","0.006","105.074","0.004","96.671","0.004","2876.2","1.9","273","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C73 H70 N4 O Zn -","- C73 H66 N4 O Zn -","- C146 H132 N8 O2 Zn2 -","2","1","","Sakamoto, Ryota; Iwashima, Toshiki; Kögel, Julius F; Kusaka, Shinpei; Tsuchiya, Mizuho; Kitagawa, Yasutaka; Nishihara, Hiroshi","Dissymmetric Bis(dipyrrinato)zinc(II) Complexes: Rich Variety and Bright Red to Near-Infrared Luminescence with a Large Pseudo-Stokes Shift.","Journal of the American Chemical Society","2016","138","17","5666","5677","10.1021/jacs.6b02128","","","0.71075","MoKα","","","0.0697","","","","0.203","","","","","","1.071","","","","has coordinates","240788","2020-10-21","18:00:00",""
"4130308","7.7585","0.0006","9.1039","0.0007","26.2256","0.0017","90","","90","","90","","1852.4","0.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Liu, Wen-Bo; Okamoto, Noriko; Alexy, Eric J.; Hong, Allen Y.; Tran, Kristy; Stoltz, Brian M.","Enantioselective γ-Alkylation of α,β-Unsaturated Malonates and Ketoesters by a Sequential Ir-Catalyzed Asymmetric Allylic Alkylation/Cope Rearrangement.","Journal of the American Chemical Society","2016","138","16","5234","5237","10.1021/jacs.6b02153","","","1.54178","CuKα","","0.0418","0.0402","","","0.1023","0.1032","","","","","","1.078","","","","has coordinates","240789","2020-10-21","18:00:00",""
"4130309","6.1787","0.0008","9.0018","0.0011","29.47","0.003","90","","90","","90","","1639.1","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Liu, Wen-Bo; Okamoto, Noriko; Alexy, Eric J.; Hong, Allen Y.; Tran, Kristy; Stoltz, Brian M.","Enantioselective γ-Alkylation of α,β-Unsaturated Malonates and Ketoesters by a Sequential Ir-Catalyzed Asymmetric Allylic Alkylation/Cope Rearrangement.","Journal of the American Chemical Society","2016","138","16","5234","5237","10.1021/jacs.6b02153","","","1.54178","CuKα","","0.0276","0.0269","","","0.0674","0.068","","","","","","1.065","","","","has coordinates,has disorder","240790","2020-10-21","18:00:00",""
"4130310","11.605","0.014","16.245","0.018","20.204","0.019","90","","97.184","0.007","90","","3779","7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 Cl2 Fe N25 O8 -","- C26 H27 Cl2 Fe N25 O8 -","- C104 H108 Cl8 Fe4 N100 O32 -","4","1","","Myers, Thomas W.; Bjorgaard, Josiah A.; Brown, Kathryn E.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Tretiak, Sergei; Veauthier, Jacqueline M.","Energetic Chromophores: Low-Energy Laser Initiation in Explosive Fe(II) Tetrazine Complexes.","Journal of the American Chemical Society","2016","138","13","4685","4692","10.1021/jacs.6b02155","","","0.71073","MoKα","","0.0767","0.046","","","0.0993","0.1133","","","","","","1.024","","","","has coordinates,has disorder","240791","2020-10-21","18:00:00",""
"4130311","21.211","0.004","8.6644","0.0016","21.347","0.004","90","","115.966","0.002","90","","3527.1","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Cl2 Fe N24 O8 -","- C21 H24 Cl2 Fe N24 O8 -","- C84 H96 Cl8 Fe4 N96 O32 -","4","1","","Myers, Thomas W.; Bjorgaard, Josiah A.; Brown, Kathryn E.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Tretiak, Sergei; Veauthier, Jacqueline M.","Energetic Chromophores: Low-Energy Laser Initiation in Explosive Fe(II) Tetrazine Complexes.","Journal of the American Chemical Society","2016","138","13","4685","4692","10.1021/jacs.6b02155","","","0.71073","MoKα","","0.0632","0.0515","","","0.1324","0.139","","","","","","1.116","","","","has coordinates,has disorder","240791","2020-10-21","18:00:00",""
"4130312","19.1","0.05","13.96","0.04","16.03","0.06","90","","109.165","0.006","90","","4037","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 Cl2 Fe N24 O9 -","- C27 H38 Cl2 Fe N24 O9 -","- C108 H152 Cl8 Fe4 N96 O36 -","4","1","","Myers, Thomas W.; Bjorgaard, Josiah A.; Brown, Kathryn E.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Tretiak, Sergei; Veauthier, Jacqueline M.","Energetic Chromophores: Low-Energy Laser Initiation in Explosive Fe(II) Tetrazine Complexes.","Journal of the American Chemical Society","2016","138","13","4685","4692","10.1021/jacs.6b02155","","","0.71073","MoKα","","0.0656","0.0438","","","0.1017","0.1124","","","","","","1.05","","","","has coordinates","240791","2020-10-21","18:00:00",""
"4130313","12.941","0.01","15.79","0.012","16.28","0.013","115.955","0.007","100.085","0.007","94.838","0.007","2896","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H62 Cl2 Fe N32 O13 -","- C39 H62 Cl2 Fe N32 O13 -","- C78 H124 Cl4 Fe2 N64 O26 -","2","1","","Myers, Thomas W.; Bjorgaard, Josiah A.; Brown, Kathryn E.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Tretiak, Sergei; Veauthier, Jacqueline M.","Energetic Chromophores: Low-Energy Laser Initiation in Explosive Fe(II) Tetrazine Complexes.","Journal of the American Chemical Society","2016","138","13","4685","4692","10.1021/jacs.6b02155","","","0.71073","MoKα","","0.2025","0.0835","","","0.2004","0.2664","","","","","","0.99","","","","has coordinates","240791","2020-10-21","18:00:00",""
"4130314","5.4814","0.0012","8.5363","0.0017","10.1397","0.0017","71.243","0.016","75.321","0.016","76.523","0.018","428.59","0.15","180.1","0.2","180.1","0.2","","","","","","","","4","P 1","P 1","1","","","","- C10 H8 F2 O2 -","- C10 H8 F2 O2 -","- C20 H16 F4 O4 -","2","2","","Borrajo-Calleja, Gustavo M; Bizet, Vincent; Mazet, Clément","Palladium-Catalyzed Enantioselective Intermolecular Carboetherification of Dihydrofurans.","Journal of the American Chemical Society","2016","138","12","4014","4017","10.1021/jacs.6b02158","","x-ray","1.5418","CuKα","","0.044","0.0432","","","0.1188","0.1205","","","","","","1.074","","","","has coordinates","240792","2020-10-21","18:00:00",""
"4130315","4.7621","0.0002","8.4156","0.0004","22.4052","0.0012","90","","90","","90","","897.91","0.07","181","2","181","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O2 -","- C11 H12 O2 -","- C44 H48 O8 -","4","1","","Borrajo-Calleja, Gustavo M; Bizet, Vincent; Mazet, Clément","Palladium-Catalyzed Enantioselective Intermolecular Carboetherification of Dihydrofurans.","Journal of the American Chemical Society","2016","138","12","4014","4017","10.1021/jacs.6b02158","","x-ray","1.5418","CuKα","","0.0454","0.0425","","","0.1172","0.12","","","","","","1.069","","","","has coordinates","240793","2020-10-21","18:00:00",""
"4130316","7.43203","0.00005","8.92309","0.00005","21.25373","0.00013","90","","90","","90","","1409.48","0.015","180","0.14","180","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Borrajo-Calleja, Gustavo M; Bizet, Vincent; Mazet, Clément","Palladium-Catalyzed Enantioselective Intermolecular Carboetherification of Dihydrofurans.","Journal of the American Chemical Society","2016","138","12","4014","4017","10.1021/jacs.6b02158","","x-ray","1.54184","CuKα","","0.0263","0.0254","","","0.0639","0.0646","","","","","","1.079","","","","has coordinates","240794","2020-10-21","18:00:00",""
"4130317","16.348","0.009","16.348","0.009","14.922","0.012","90","","90","","120","","3454","4","120","2","120","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C54 H72 Co3 O30 P6 S3 -","- C48 H54 Co3 O28.119 P6 S1.506 -","- C96 H108 Co6 O56.238 P12 S3.012 -","2","0.166667","","Pili, Simona; Argent, Stephen P.; Morris, Christopher G.; Rought, Peter; García-Sakai, Victoria; Silverwood, Ian P.; Easun, Timothy L.; Li, Ming; Warren, Mark R.; Murray, Claire A.; Tang, Chiu C.; Yang, Sihai; Schröder, Martin","Proton Conduction in a Phosphonate-Based Metal-Organic Framework Mediated by Intrinsic ""Free Diffusion inside a Sphere"".","Journal of the American Chemical Society","2016","138","20","6352","6355","10.1021/jacs.6b02194","","x-ray","0.6889","","","0.1141","0.0864","","","0.2494","0.2803","","","","","","1.086","","","","has coordinates,has disorder","240795","2020-10-21","18:00:00",""
"4130318","16.323","0.006","16.323","0.006","14.933","0.008","90","","90","","120","","3446","3","120","2","120","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C54 H72 N0 Ni3 O30 P6 S3 -","- C49.902 H35.706 Ni3 O29.856 P6 S1.263 -","- C99.804 H71.412 Ni6 O59.712 P12 S2.526 -","2","0.166667","","Pili, Simona; Argent, Stephen P.; Morris, Christopher G.; Rought, Peter; García-Sakai, Victoria; Silverwood, Ian P.; Easun, Timothy L.; Li, Ming; Warren, Mark R.; Murray, Claire A.; Tang, Chiu C.; Yang, Sihai; Schröder, Martin","Proton Conduction in a Phosphonate-Based Metal-Organic Framework Mediated by Intrinsic ""Free Diffusion inside a Sphere"".","Journal of the American Chemical Society","2016","138","20","6352","6355","10.1021/jacs.6b02194","","x-ray","0.6889","","","0.1068","0.0839","","","0.2414","0.2629","","","","","","0.967","","","","has coordinates,has disorder","240796","2020-10-21","18:00:00",""
"4130319","15.8435","0.0007","19.3722","0.0009","20.9937","0.001","94.124","0.003","90.49","0.003","105.769","0.003","6182.3","0.5","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C78.5 H72 -","- C66 H42 -","- C264 H168 -","4","2","","Golder, Matthew R.; Colwell, Curtis E.; Wong, Bryan M.; Zakharov, Lev N.; Zhen, Jingxin; Jasti, Ramesh","Iterative Reductive Aromatization/Ring-Closing Metathesis Strategy toward the Synthesis of Strained Aromatic Belts.","Journal of the American Chemical Society","2016","138","20","6577","6582","10.1021/jacs.6b02240","","","1.54178","CuKα","","0.1678","0.0807","","","0.2119","0.2404","","","","","","1.009","","","","has coordinates,has disorder","240797","2020-10-21","18:00:00",""
"4130320","13.3012","0.0007","9.9339","0.0005","17.0395","0.0006","90","","110.381","0.003","90","","2110.53","0.18","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 O2 -","- C60 H36 O2 -","- C120 H72 O4 -","2","0.5","","Golder, Matthew R.; Colwell, Curtis E.; Wong, Bryan M.; Zakharov, Lev N.; Zhen, Jingxin; Jasti, Ramesh","Iterative Reductive Aromatization/Ring-Closing Metathesis Strategy toward the Synthesis of Strained Aromatic Belts.","Journal of the American Chemical Society","2016","138","20","6577","6582","10.1021/jacs.6b02240","","","1.54178","CuKα","","0.133","0.1024","","","0.3416","0.41","","","","","","1.015","","","","has coordinates","240798","2020-10-21","18:00:00",""
"4130321","10.2511","0.0014","12.0614","0.0017","16.84","0.002","90","","90","","90","","2082.1","0.5","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Rh -","- C28 H29 Rh -","- C112 H116 Rh4 -","4","1","","Zheng, Jun; Cui, Wen-Jun; Zheng, Chao; You, Shu-Li","Synthesis and Application of Chiral Spiro Cp Ligands in Rhodium-Catalyzed Asymmetric Oxidative Coupling of Biaryl Compounds with Alkenes.","Journal of the American Chemical Society","2016","138","16","5242","5245","10.1021/jacs.6b02302","","","0.71073","MoKα","","0.0666","0.0452","","","0.0877","0.096","","","","","","1.025","","","","has coordinates","240799","2020-10-21","18:00:00",""
"4130322","7.156","0.003","14.439","0.006","23.483","0.009","90","","90","","90","","2426.4","1.7","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 O2 Rh -","- C30 H33 O2 Rh -","- C120 H132 O8 Rh4 -","4","1","","Zheng, Jun; Cui, Wen-Jun; Zheng, Chao; You, Shu-Li","Synthesis and Application of Chiral Spiro Cp Ligands in Rhodium-Catalyzed Asymmetric Oxidative Coupling of Biaryl Compounds with Alkenes.","Journal of the American Chemical Society","2016","138","16","5242","5245","10.1021/jacs.6b02302","","","0.71073","MoKα","","0.0999","0.0463","","","0.0838","0.0996","","","","","","0.982","","","","has coordinates","240800","2020-10-21","18:00:00",""
"4130323","6.1037","0.001","10.0273","0.0014","14.3207","0.0019","109.973","0.011","91.761","0.012","90.472","0.012","823.2","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H50 B2 -","- C40 H50 B2 -","- C40 H50 B2 -","1","0.5","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.0766","0.0656","","","0.1775","0.1872","","","","","","1.041","","","","has coordinates,has disorder","240801","2020-10-21","18:00:00",""
"4130324","23.6888","0.0017","14.3688","0.0007","29.305","0.002","90","","100.858","0.006","90","","9796.2","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55.5 H76 B2 Li2 O3 -","- C55.5 H76 B2 Li2 O3 -","- C444 H608 B16 Li16 O24 -","8","2","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.215","0.0816","","","0.1486","0.1912","","","","","","0.876","","","","has coordinates,has disorder","265214","2021-05-14","09:19:07",""
"4130325","26.7566","0.001","10.14","0.0003","20.7717","0.0008","90","","90","","90","","5635.6","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C60 H90 B2 Li2 O5 -","- C60 H90 B2 Li2 O5 -","- C240 H360 B8 Li8 O20 -","4","1","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.0733","0.058","","","0.1413","0.1494","","","","","","1.021","","","","has coordinates,has disorder","265214","2021-05-14","09:19:08",""
"4130326","28.292","0.003","10.6612","0.0008","30.648","0.003","90","","113.952","0.007","90","","8448.2","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H124 B4 Li4 O3 -","- C92 H124 B4 Li4 O3 -","- C368 H496 B16 Li16 O12 -","4","0.5","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.1899","0.0799","","","0.1555","0.183","","","","","","1.152","","","","has coordinates","265214","2021-05-14","09:19:08",""
"4130327","15.5756","0.0007","21.2523","0.001","17.6877","0.0008","90","","112.775","0.004","90","","5398.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H82 B2 K2 O4 -","- C56 H82 B2 K2 O4 -","- C224 H328 B8 K8 O16 -","4","1","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.0812","0.0505","","","0.1262","0.1398","","","","","","0.966","","","","has coordinates","265214","2021-05-14","09:19:08",""
"4130328","13.6225","0.001","16.3106","0.0008","19.6114","0.0011","90","","90","","90","","4357.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H65 B2 K O2 -","- C48 H65 B2 K O2 -","- C192 H260 B8 K4 O8 -","4","1","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.078","0.0668","","","0.182","0.1907","","","","","","1.038","","","","has coordinates,has disorder","265214","2021-05-14","09:19:08",""
"4130329","13.834","0.0011","19.2446","0.0012","21.4964","0.0017","90","","103.878","0.006","90","","5555.9","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H84 B2 K2 O4 -","- C56 H84 B2 K2 O4 -","- C224 H336 B8 K8 O16 -","4","1","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.0805","0.0543","","","0.1369","0.1483","","","","","","1.009","","","","has coordinates,has disorder","265214","2021-05-14","09:19:08",""
"4130330","21.448","0.002","7.166","0.0007","12.5448","0.0013","90","","98.521","0.002","90","","1906.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 B2 F2 O4 -","- C18 H26 B2 F2 O4 -","- C72 H104 B8 F8 O16 -","4","0.5","","Zhou, Jing; Kuntze-Fechner, Maximilian W; Bertermann, Rüdiger; Paul, Ursula S. D.; Berthel, Johannes H. J.; Friedrich, Alexandra; Du, Zhenting; Marder, Todd B.; Radius, Udo","Preparing (Multi)Fluoroarenes as Building Blocks for Synthesis: Nickel-Catalyzed Borylation of Polyfluoroarenes via C-F Bond Cleavage.","Journal of the American Chemical Society","2016","138","16","5250","5253","10.1021/jacs.6b02337","","","0.71073","MoKα","","0.0348","0.0335","","","0.0836","0.0846","","","","","","1.035","","","","has coordinates","240802","2020-10-21","18:00:00",""
"4130331","6.518","0.0006","10.4277","0.0008","14.3711","0.0012","90","","97.307","0.004","90","","968.84","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 B2 F3 O4 -","- C18 H25 B2 F3 O4 -","- C36 H50 B4 F6 O8 -","2","0.5","","Zhou, Jing; Kuntze-Fechner, Maximilian W; Bertermann, Rüdiger; Paul, Ursula S. D.; Berthel, Johannes H. J.; Friedrich, Alexandra; Du, Zhenting; Marder, Todd B.; Radius, Udo","Preparing (Multi)Fluoroarenes as Building Blocks for Synthesis: Nickel-Catalyzed Borylation of Polyfluoroarenes via C-F Bond Cleavage.","Journal of the American Chemical Society","2016","138","16","5250","5253","10.1021/jacs.6b02337","","","0.71073","MoKα","","0.0442","0.0397","","","0.1158","0.1195","","","","","","1.09","","","","has coordinates,has disorder","240802","2020-10-21","18:00:00",""
"4130332","6.848","0.0014","45.132","0.009","9.3766","0.0015","90","","99.586","0.007","90","","2857.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 B2 F2 O4 -","- C18 H26 B2 F2 O4 -","- C108 H156 B12 F12 O24 -","6","1.5","","Zhou, Jing; Kuntze-Fechner, Maximilian W; Bertermann, Rüdiger; Paul, Ursula S. D.; Berthel, Johannes H. J.; Friedrich, Alexandra; Du, Zhenting; Marder, Todd B.; Radius, Udo","Preparing (Multi)Fluoroarenes as Building Blocks for Synthesis: Nickel-Catalyzed Borylation of Polyfluoroarenes via C-F Bond Cleavage.","Journal of the American Chemical Society","2016","138","16","5250","5253","10.1021/jacs.6b02337","","","0.71073","MoKα","","0.0773","0.0599","","","0.1224","0.1294","","","","","","1.14","","","","has coordinates,has disorder","240802","2020-10-21","18:00:00",""
"4130333","19.9415","0.0005","18.3839","0.0005","22.7755","0.0006","90","","90","","90","","8349.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H50 F4 N4 Ni -","- C48 H50 F4 N4 Ni -","- C384 H400 F32 N32 Ni8 -","8","1","","Zhou, Jing; Kuntze-Fechner, Maximilian W; Bertermann, Rüdiger; Paul, Ursula S. D.; Berthel, Johannes H. J.; Friedrich, Alexandra; Du, Zhenting; Marder, Todd B.; Radius, Udo","Preparing (Multi)Fluoroarenes as Building Blocks for Synthesis: Nickel-Catalyzed Borylation of Polyfluoroarenes via C-F Bond Cleavage.","Journal of the American Chemical Society","2016","138","16","5250","5253","10.1021/jacs.6b02337","","","0.71073","MoKα","","0.073","0.0454","","","0.1092","0.1246","","","","","","1.028","","","","has coordinates,has disorder","240802","2020-10-21","18:00:00",""
"4130334","10.652","0.005","14.778","0.005","14.855","0.004","92.736","0.019","101.401","0.013","91.53","0.02","2288.1","1.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H50 D6 F4 N4 Ni -","- C54 H50 D6 F4 N4 Ni -","- C108 H100 D12 F8 N8 Ni2 -","2","1","","Zhou, Jing; Kuntze-Fechner, Maximilian W; Bertermann, Rüdiger; Paul, Ursula S. D.; Berthel, Johannes H. J.; Friedrich, Alexandra; Du, Zhenting; Marder, Todd B.; Radius, Udo","Preparing (Multi)Fluoroarenes as Building Blocks for Synthesis: Nickel-Catalyzed Borylation of Polyfluoroarenes via C-F Bond Cleavage.","Journal of the American Chemical Society","2016","138","16","5250","5253","10.1021/jacs.6b02337","","","0.71073","MoKα","","0.0309","0.0275","","","0.0684","0.0703","","","","","","1.031","","","","has coordinates,has disorder","240802","2020-10-21","18:00:00",""
"4130335","9.5135","0.0002","13.842","0.0003","20.1911","0.0005","106.146","0.002","93.216","0.002","107.792","0.002","2402.75","0.1","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H40.11 Cl5 Cu2 F12 N6.89 O2.78 Sb2 -","- C37 H40.114 Cl5 Cu2 F12 N6.886 O2.772 Sb2 -","- C74 H80.228 Cl10 Cu4 F24 N13.772 O5.544 Sb4 -","2","1","","Cao, Rui; Saracini, Claudio; Ginsbach, Jake W.; Kieber-Emmons, Matthew T; Siegler, Maxime A.; Solomon, Edward I.; Fukuzumi, Shunichi; Karlin, Kenneth D.","Peroxo and Superoxo Moieties Bound to Copper Ion: Electron-Transfer Equilibrium with a Small Reorganization Energy.","Journal of the American Chemical Society","2016","138","22","7055","7066","10.1021/jacs.6b02404","","","0.71073","MoKα","","0.0339","0.0264","","","0.0636","0.0665","","","","","","1.048","","","","has coordinates,has disorder","240803","2020-10-21","18:00:00",""
"4130336","13.5404","0.0004","11.2264","0.0004","26.4611","0.0011","90","","90.054","0.003","90","","4022.3","0.3","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H38 Cu2 F12 N6 O2 Sb2 -","- C35 H38 Cu2 F12 N6 O2 Sb2 -","- C140 H152 Cu8 F48 N24 O8 Sb8 -","4","1","","Cao, Rui; Saracini, Claudio; Ginsbach, Jake W.; Kieber-Emmons, Matthew T; Siegler, Maxime A.; Solomon, Edward I.; Fukuzumi, Shunichi; Karlin, Kenneth D.","Peroxo and Superoxo Moieties Bound to Copper Ion: Electron-Transfer Equilibrium with a Small Reorganization Energy.","Journal of the American Chemical Society","2016","138","22","7055","7066","10.1021/jacs.6b02404","","","0.71073","MoKα","","0.041","0.0377","","","0.0892","0.0908","","","","","","1.04","","","","has coordinates","240804","2020-10-21","18:00:00",""
"4130337","10.81274","0.00018","11.4439","0.0002","19.1353","0.0003","78.4517","0.0014","78.6462","0.0014","73.1423","0.0015","2195.71","0.07","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H44 Cu2 F12 N7 O2 Sb2 -","- C38 H44 Cu2 F12 N7 O2 Sb2 -","- C76 H88 Cu4 F24 N14 O4 Sb4 -","2","1","","Cao, Rui; Saracini, Claudio; Ginsbach, Jake W.; Kieber-Emmons, Matthew T; Siegler, Maxime A.; Solomon, Edward I.; Fukuzumi, Shunichi; Karlin, Kenneth D.","Peroxo and Superoxo Moieties Bound to Copper Ion: Electron-Transfer Equilibrium with a Small Reorganization Energy.","Journal of the American Chemical Society","2016","138","22","7055","7066","10.1021/jacs.6b02404","","","0.71073","MoKα","","0.0351","0.0276","","","0.0658","0.0682","","","","","","1.055","","","","has coordinates,has disorder","240805","2020-10-21","18:00:00",""
"4130338","14.2268","0.0006","14.176","0.0006","14.358","0.0006","90","","118.951","0.002","90","","2533.84","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 Br2 N3 Ni -","- C25 H37 Br2 N3 Ni -","- C100 H148 Br8 N12 Ni4 -","4","1","","Zhou, Wen; Zheng, Shuai; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Aromatic Cyanoalkylation through Double C-H Activation Mediated by Ni(III).","Journal of the American Chemical Society","2016","138","18","5777","5780","10.1021/jacs.6b02405","","","0.71073","MoKα","","0.0557","0.0344","","","0.073","0.083","","","","","","1","","","","has coordinates","240806","2020-10-21","18:00:00",""
"4130339","13.2127","0.001","14.1765","0.0011","16.9635","0.0012","90","","101.342","0.005","90","","3115.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H49 Br2 N3 Ni O2 -","- C31 H49 Br2 N3 Ni O2 -","- C124 H196 Br8 N12 Ni4 O8 -","4","1","","Zhou, Wen; Zheng, Shuai; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Aromatic Cyanoalkylation through Double C-H Activation Mediated by Ni(III).","Journal of the American Chemical Society","2016","138","18","5777","5780","10.1021/jacs.6b02405","","","0.71073","MoKα","","0.0524","0.0344","","","0.0671","0.0745","","","","","","1.082","","","","has coordinates","240806","2020-10-21","18:00:00",""
"4130340","17.2739","0.0009","14.0039","0.0007","13.5299","0.0007","90","","109.966","0.003","90","","3076.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 Br F6 N4 Ni P -","- C27 H39 Br F6 N4 Ni P -","- C108 H156 Br4 F24 N16 Ni4 P4 -","4","1","","Zhou, Wen; Zheng, Shuai; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Aromatic Cyanoalkylation through Double C-H Activation Mediated by Ni(III).","Journal of the American Chemical Society","2016","138","18","5777","5780","10.1021/jacs.6b02405","","","0.71073","MoKα","","0.065","0.0439","","","0.0961","0.1045","","","","","","1.027","","","","has coordinates,has disorder","240806","2020-10-21","18:00:00",""
"4130341","14.908","0.0006","14.033","0.0006","19.26","0.0008","90","","102.869","0.0017","90","","3928.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H45 F12 N6 Ni Sb2 -","- C31 H45 F12 N6 Ni Sb2 -","- C124 H180 F48 N24 Ni4 Sb8 -","4","1","","Zhou, Wen; Zheng, Shuai; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Aromatic Cyanoalkylation through Double C-H Activation Mediated by Ni(III).","Journal of the American Chemical Society","2016","138","18","5777","5780","10.1021/jacs.6b02405","","","0.71073","MoKα","","0.0605","0.0375","","","0.0727","0.0815","","","","","","1.012","","","","has coordinates,has disorder","240806","2020-10-21","18:00:00",""
"4130342","15.159","0.003","25.006","0.005","17.605","0.003","90","","109.14","0.011","90","","6305","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H101 F4 N6 Ni2 O7 -","- C60 H100.45 F4 N6 Ni2 O7 -","- C240 H401.8 F16 N24 Ni8 O28 -","4","1","","Zhou, Wen; Zheng, Shuai; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Aromatic Cyanoalkylation through Double C-H Activation Mediated by Ni(III).","Journal of the American Chemical Society","2016","138","18","5777","5780","10.1021/jacs.6b02405","","","0.71073","MoKα","","0.115","0.0589","","","0.1474","0.1762","","","","","","1.017","","","","has coordinates,has disorder","240806","2020-10-21","18:00:00",""
"4130343","11.4678","0.0009","16.8911","0.0014","13.8634","0.0011","90","","91.155","0.002","90","","2684.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SVK1_81","","","- C19 H24 F18 Mo O5 -","- C19 H24 F18 Mo O5 -","- C76 H96 F72 Mo4 O20 -","4","1","","von Kugelgen, Stephen; Bellone, Donatela E.; Cloke, Ryan R.; Perkins, Wade S.; Fischer, Felix R.","Initiator Control of Conjugated Polymer Topology in Ring-Opening Alkyne Metathesis Polymerization.","Journal of the American Chemical Society","2016","138","19","6234","6239","10.1021/jacs.6b02422","","","0.71073","MoKα","","0.0316","0.0262","","","0.0556","0.0601","","","","","","1.179","","","","has coordinates","240807","2020-10-21","18:00:00",""
"4130344","29.007","0.003","35.476","0.004","44.206","0.004","100.828","0.004","96.645","0.005","96.07","0.005","44000","8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C505 H366 B120 F180 Fe10 N71 O30 -","- C505 H366 B77.9976 F137.998 Fe10 N71 O30 -","- C1010 H732 B155.995 F275.995 Fe20 N142 O60 -","2","1","","Kieffer, Marion; Pilgrim, Ben S.; Ronson, Tanya K.; Roberts, Derrick A.; Aleksanyan, Mina; Nitschke, Jonathan R.","Perfluorinated Ligands Induce Meridional Metal Stereochemistry to Generate M8L12, M10L15, and M12L18 Prisms.","Journal of the American Chemical Society","2016","138","21","6813","6821","10.1021/jacs.6b02445","","","0.6889","synchrotron","","0.2321","0.1794","","","0.44","0.4719","","","","","","1.286","","","","has coordinates,has disorder","240808","2020-10-21","18:00:00",""
"4130345","28.314","0.0013","28.314","0.0013","35.3911","0.0018","90","","90","","90","","28372","2","100","2","100","2","","","","","","","","8","P 4/n n c :2","-P 4a 2bc","126","","","","- C384 H264 Cl2 F132 Fe8 N48 O32 P14 -","- C384 H264 Cl2 F105.6 Fe8 N48 O32 P9.6 -","- C768 H528 Cl4 F211.2 Fe16 N96 O64 P19.2 -","2","0.125","","Kieffer, Marion; Pilgrim, Ben S.; Ronson, Tanya K.; Roberts, Derrick A.; Aleksanyan, Mina; Nitschke, Jonathan R.","Perfluorinated Ligands Induce Meridional Metal Stereochemistry to Generate M8L12, M10L15, and M12L18 Prisms.","Journal of the American Chemical Society","2016","138","21","6813","6821","10.1021/jacs.6b02445","","","0.6889","synchrotron","","0.1389","0.0971","","","0.2693","0.3178","","","","","","1.074","","","","has coordinates,has disorder","240809","2020-10-21","18:00:00",""
"4130346","38.41","0.006","38.41","0.006","38.41","0.006","90","","90","","90","","56667","15","100","2","100","2","","","","","","","","7","P 4 3 2","P 4 2 3","207","","","","- C384 H264 F144 Fe8 N48 O24 P16 -","- C384 H264 F96 Fe8 N48 O24 P8 -","- C1152 H792 F288 Fe24 N144 O72 P24 -","3","0.125","","Kieffer, Marion; Pilgrim, Ben S.; Ronson, Tanya K.; Roberts, Derrick A.; Aleksanyan, Mina; Nitschke, Jonathan R.","Perfluorinated Ligands Induce Meridional Metal Stereochemistry to Generate M8L12, M10L15, and M12L18 Prisms.","Journal of the American Chemical Society","2016","138","21","6813","6821","10.1021/jacs.6b02445","","","0.6889","synchrotron","","0.2193","0.2083","","","0.4624","0.4721","","","","","","1.541","","","","has coordinates,has disorder","240809","2020-10-21","18:00:00",""
"4130347","31.49","0.003","32.933","0.003","41.016","0.004","86.685","0.005","80.468","0.004","65.452","0.004","38154","6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C509 H321 F213 Fe10 N74 O2 P20 S -","- C509 H315 F199.5 Fe10 N74 O2 P17.75 S -","- C1018 H630 F399 Fe20 N148 O4 P35.5 S2 -","2","1","","Kieffer, Marion; Pilgrim, Ben S.; Ronson, Tanya K.; Roberts, Derrick A.; Aleksanyan, Mina; Nitschke, Jonathan R.","Perfluorinated Ligands Induce Meridional Metal Stereochemistry to Generate M8L12, M10L15, and M12L18 Prisms.","Journal of the American Chemical Society","2016","138","21","6813","6821","10.1021/jacs.6b02445","","","0.6889","synchrotron","","0.2877","0.2118","","","0.502","0.5527","","","","","","1.517","","","","has coordinates,has disorder","240810","2020-10-21","18:00:00",""
"4130348","9.8418","0.0005","11.238","0.0006","12.2846","0.0007","101.925","0.001","109.904","0.001","94.519","0.001","1233.44","0.12","100","2","100","2","","","","","","","","5","P 1","P 1","1","YX-3-217B","hartwig106","","- C21 H30 B Cl3 O4 -","- C21 H30 B Cl3 O4 -","- C42 H60 B2 Cl6 O8 -","2","2","","Xi, Yumeng; Hartwig, John F.","Diverse Asymmetric Hydrofunctionalization of Aliphatic Internal Alkenes through Catalytic Regioselective Hydroboration.","Journal of the American Chemical Society","2016","138","21","6703","6706","10.1021/jacs.6b02478","","","0.71073","MoKα","","0.0406","0.0371","","","0.092","0.0952","","","","","","1.047","","","","has coordinates","240811","2020-10-21","18:00:00",""
"4130349","9.1358","0.0002","9.1358","0.0002","21.2002","0.0006","90","","90","","120","","1532.37","0.06","100","2","99.95","","","","","","","","","6","P 31","P 31","144","","","","- C20 H16 Mn N4 O5 S -","- C20 H16 Mn N4 O5 S -","- C60 H48 Mn3 N12 O15 S3 -","3","1","","Jeon, Ie-Rang; Sun, Lei; Negru, Bogdan; Van Duyne, Richard P.; Dincă, Mircea; Harris, T. David","Solid-State Redox Switching of Magnetic Exchange and Electronic Conductivity in a Benzoquinoid-Bridged Mn(II) Chain Compound.","Journal of the American Chemical Society","2016","138","20","6583","6590","10.1021/jacs.6b02485","","","1.54178","CuKα","","0.0244","0.0242","","","0.0614","0.0615","","","","","","1.029","","","","has coordinates","240812","2020-10-21","18:00:00",""
"4130350","9.9347","0.0005","10.2489","0.0006","10.6994","0.0005","63.651","0.005","67.294","0.005","70.262","0.005","882.14","0.09","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 O S -","- C23 H16 O S -","- C46 H32 O2 S2 -","2","1","","Sun, Fenggang; Li, Miao; He, Congfa; Wang, Bin; Li, Bin; Sui, Xianwei; Gu, Zhenhua","Cleavage of the C(O)-S Bond of Thioesters by Palladium/Norbornene/Copper Cooperative Catalysis: An Efficient Synthesis of 2-(Arylthio)aryl Ketones.","Journal of the American Chemical Society","2016","138","24","7456","7459","10.1021/jacs.6b02495","","","1.54184","CuKα","","0.0383","0.0372","","","0.1014","0.1023","","","","","","1.054","","","","has coordinates","240813","2020-10-21","18:00:00",""
"4130351","6.8007","0.0006","10.8026","0.0013","14.4909","0.0013","69.445","0.01","88.471","0.008","82.126","0.009","987.14","0.19","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C44 H50 N2 O8 -","2","1","","Yu, Xuerong; Su, Fan; Liu, Chang; Yuan, Haosen; Zhao, Shan; Zhou, Zhiyao; Quan, Tianfei; Luo, Tuoping","Enantioselective Total Syntheses of Various Amphilectane and Serrulatane Diterpenoids via Cope Rearrangements.","Journal of the American Chemical Society","2016","138","19","6261","6270","10.1021/jacs.6b02624","","","1.5418","CuKα","","0.1163","0.0738","","","0.1958","0.2342","","","","","","1.02","","","","has coordinates","240814","2020-10-21","18:00:00",""
"4130352","8.7136","0.0006","17.3862","0.0013","17.083","0.0012","90","","90","","90","","2588","0.3","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H28 Br Dy N4 O2 -","- C28 H28 Br Dy N4 O2 -","- C112 H112 Br4 Dy4 N16 O8 -","4","0.5","","Liu, Jiang; Chen, Yan-Cong; Liu, Jun-Liang; Vieru, Veacheslav; Ungur, Liviu; Jia, Jian-Hua; Chibotaru, Liviu F.; Lan, Yanhua; Wernsdorfer, Wolfgang; Gao, Song; Chen, Xiao-Ming; Tong, Ming-Liang","A Stable Pentagonal Bipyramidal Dy(III) Single-Ion Magnet with a Record Magnetization Reversal Barrier over 1000 K.","Journal of the American Chemical Society","2016","138","16","5441","5450","10.1021/jacs.6b02638","","","0.71073","MoKα","","0.0289","0.0253","","","0.0617","0.0675","","","","","","1.099","","","","has coordinates","240815","2020-10-21","18:00:00",""
"4130353","8.7031","0.0005","17.1806","0.0009","16.9926","0.0012","90","","90","","90","","2540.8","0.3","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H28 Cl Dy N4 O2 -","- C28 H28 Cl Dy N4 O2 -","- C112 H112 Cl4 Dy4 N16 O8 -","4","0.5","","Liu, Jiang; Chen, Yan-Cong; Liu, Jun-Liang; Vieru, Veacheslav; Ungur, Liviu; Jia, Jian-Hua; Chibotaru, Liviu F.; Lan, Yanhua; Wernsdorfer, Wolfgang; Gao, Song; Chen, Xiao-Ming; Tong, Ming-Liang","A Stable Pentagonal Bipyramidal Dy(III) Single-Ion Magnet with a Record Magnetization Reversal Barrier over 1000 K.","Journal of the American Chemical Society","2016","138","16","5441","5450","10.1021/jacs.6b02638","","","0.71073","MoKα","","0.0478","0.0383","","","0.0653","0.0686","","","","","","1.042","","","","has coordinates","240816","2020-10-21","18:00:00",""
"4130354","8.6882","0.0004","17.3517","0.0009","17.0584","0.0008","90","","90","","90","","2571.6","0.2","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H28 Br N4 O2 Y -","- C28 H28 Br N4 O2 Y -","- C112 H112 Br4 N16 O8 Y4 -","4","0.5","","Liu, Jiang; Chen, Yan-Cong; Liu, Jun-Liang; Vieru, Veacheslav; Ungur, Liviu; Jia, Jian-Hua; Chibotaru, Liviu F.; Lan, Yanhua; Wernsdorfer, Wolfgang; Gao, Song; Chen, Xiao-Ming; Tong, Ming-Liang","A Stable Pentagonal Bipyramidal Dy(III) Single-Ion Magnet with a Record Magnetization Reversal Barrier over 1000 K.","Journal of the American Chemical Society","2016","138","16","5441","5450","10.1021/jacs.6b02638","","","1.54178","CuKα","","0.034","0.0317","","","0.0775","0.0802","","","","","","1.027","","","","has coordinates","240817","2020-10-21","18:00:00",""
"4130355","8.6871","0.0004","17.1521","0.0006","17.0046","0.0006","90","","90","","90","","2533.72","0.17","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H28 Cl N4 O2 Y -","- C28 H28 Cl N4 O2 Y -","- C112 H112 Cl4 N16 O8 Y4 -","4","0.5","","Liu, Jiang; Chen, Yan-Cong; Liu, Jun-Liang; Vieru, Veacheslav; Ungur, Liviu; Jia, Jian-Hua; Chibotaru, Liviu F.; Lan, Yanhua; Wernsdorfer, Wolfgang; Gao, Song; Chen, Xiao-Ming; Tong, Ming-Liang","A Stable Pentagonal Bipyramidal Dy(III) Single-Ion Magnet with a Record Magnetization Reversal Barrier over 1000 K.","Journal of the American Chemical Society","2016","138","16","5441","5450","10.1021/jacs.6b02638","","","1.54178","CuKα","","0.0319","0.0305","","","0.0754","0.0765","","","","","","1.07","","","","has coordinates","240818","2020-10-21","18:00:00",""
"4130356","8.1289","0.0011","24.59","0.004","8.7228","0.0012","90","","99.753","0.006","90","","1718.4","0.4","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O7 -","- C20 H20 O7 -","- C80 H80 O28 -","4","1","","Dornan, Peter K.; Lee, Daniel; Grubbs, Robert H.","Tandem Olefin Metathesis/Oxidative Cyclization: Synthesis of Tetrahydrofuran Diols from Simple Olefins.","Journal of the American Chemical Society","2016","138","20","6372","6375","10.1021/jacs.6b02653","","","1.54178","CuKα","","0.0363","0.0336","","","0.0819","0.0837","","","","","","1.072","","","","has coordinates","240819","2020-10-21","18:00:00",""
"4130357","12.0771","0.0004","10.1622","0.0004","11.7693","0.0004","90","","117.15","0.0012","90","","1285.29","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 O7 -","- C11 H18 O7 -","- C44 H72 O28 -","4","1","","Dornan, Peter K.; Lee, Daniel; Grubbs, Robert H.","Tandem Olefin Metathesis/Oxidative Cyclization: Synthesis of Tetrahydrofuran Diols from Simple Olefins.","Journal of the American Chemical Society","2016","138","20","6372","6375","10.1021/jacs.6b02653","","","1.54178","CuKα","","0.0374","0.0315","","","0.0766","0.0801","","","","","","1.03","","","","has coordinates","240820","2020-10-21","18:00:00",""
"4130358","16.2633","0.0006","9.9482","0.0003","15.9423","0.0011","90","","90","","90","","2579.3","0.2","85","2","85","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H30 F N3 O2 Pd S -","- C28 H30 F N3 O2 Pd S -","- C112 H120 F4 N12 O8 Pd4 S4 -","4","1","","Pendleton, Ian M.; Pérez-Temprano, Mónica H; Sanford, Melanie S.; Zimmerman, Paul M.","Experimental and Computational Assessment of Reactivity and Mechanism in C(sp(3))-N Bond-Forming Reductive Elimination from Palladium(IV).","Journal of the American Chemical Society","2016","138","18","6049","6060","10.1021/jacs.6b02714","","","1.54178","CuKα","","0.0734","0.0714","","","0.1879","0.1895","","","","","","1.07","","","","has coordinates","240821","2020-10-21","18:00:00",""
"4130359","7.6143","0.0001","8.1214","0.0001","16.8301","0.0012","94.216","0.007","91.512","0.006","100.255","0.007","1020.53","0.08","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 N3 O2 Pd S -","- C21 H23 N3 O2 Pd S -","- C42 H46 N6 O4 Pd2 S2 -","2","1","","Pendleton, Ian M.; Pérez-Temprano, Mónica H; Sanford, Melanie S.; Zimmerman, Paul M.","Experimental and Computational Assessment of Reactivity and Mechanism in C(sp(3))-N Bond-Forming Reductive Elimination from Palladium(IV).","Journal of the American Chemical Society","2016","138","18","6049","6060","10.1021/jacs.6b02714","","","1.54178","CuKα","","0.0322","0.032","","","0.083","0.0833","","","","","","1.086","","","","has coordinates","240821","2020-10-21","18:00:00",""
"4130360","8.154","0.003","8.234","0.0002","31.472","0.002","90","","97.248","0.012","90","","2096.1","0.8","85","2","85","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F3 N3 O2 Pd S -","- C21 H20 F3 N3 O2 Pd S -","- C84 H80 F12 N12 O8 Pd4 S4 -","4","1","","Pendleton, Ian M.; Pérez-Temprano, Mónica H; Sanford, Melanie S.; Zimmerman, Paul M.","Experimental and Computational Assessment of Reactivity and Mechanism in C(sp(3))-N Bond-Forming Reductive Elimination from Palladium(IV).","Journal of the American Chemical Society","2016","138","18","6049","6060","10.1021/jacs.6b02714","","","1.54178","CuKα","","0.0356","0.0345","","","0.0829","0.0837","","","","","","1.059","","","","has coordinates","240821","2020-10-21","18:00:00",""
"4130361","10.044","0.0002","12.345","0.0002","17.7048","0.0012","90.013","0.006","97.735","0.007","113.481","0.008","1991.66","0.19","225","2","225","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H44 Cl2 N4 O5 Pd S2 -","- C37 H42 Cl2 N4 O5 Pd S2 -","- C74 H84 Cl4 N8 O10 Pd2 S4 -","2","1","","Pendleton, Ian M.; Pérez-Temprano, Mónica H; Sanford, Melanie S.; Zimmerman, Paul M.","Experimental and Computational Assessment of Reactivity and Mechanism in C(sp(3))-N Bond-Forming Reductive Elimination from Palladium(IV).","Journal of the American Chemical Society","2016","138","18","6049","6060","10.1021/jacs.6b02714","","","1.54178","CuKα","","0.0761","0.0726","","","0.2149","0.2212","","","","","","1.116","","","","has coordinates,has disorder","240821","2020-10-21","18:00:00",""
"4130362","25.733","0.0012","13.3912","0.0005","21.1443","0.0009","90","","94.874","0.001","90","","7259.9","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H17.5 N3.5 O4.25 Pd -","- C19 H17.5 N3.5 O4.25 Pd -","- C304 H280 N56 O68 Pd16 -","16","2","","Gurak, Jr, John A; Yang, Kin S.; Liu, Zhen; Engle, Keary M.","Directed, Regiocontrolled Hydroamination of Unactivated Alkenes via Protodepalladation.","Journal of the American Chemical Society","2016","138","18","5805","5808","10.1021/jacs.6b02718","","","0.71073","MoKα","","0.0513","0.0378","","","0.0868","0.0955","","","","","","1.027","","","","has coordinates,has disorder","240822","2020-10-21","18:00:00",""
"4130363","8.6307","0.0004","5.2843","0.0003","37.3565","0.0018","90","","94.473","0.002","90","","1698.54","0.15","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C80 H84 N12 O12 -","4","1","","Gurak, Jr, John A; Yang, Kin S.; Liu, Zhen; Engle, Keary M.","Directed, Regiocontrolled Hydroamination of Unactivated Alkenes via Protodepalladation.","Journal of the American Chemical Society","2016","138","18","5805","5808","10.1021/jacs.6b02718","","","1.54178","CuKα","","0.0606","0.0592","","","0.1816","0.1831","","","","","","1.08","","","","has coordinates","240823","2020-10-21","18:00:00",""
"4130364","8.5434","0.0004","11.3181","0.0005","19.657","0.001","106.087","0.002","96.817","0.002","97.583","0.002","1786.12","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H56 Co O2 -","- C43 H56 Co O2 -","- C86 H112 Co2 O4 -","2","1","","Bellow, James A.; Stoian, Sebastian A.; van Tol, Johan; Ozarowski, Andrew; Lord, Richard L.; Groysman, Stanislav","Synthesis and Characterization of a Stable High-Valent Cobalt Carbene Complex.","Journal of the American Chemical Society","2016","138","17","5531","5534","10.1021/jacs.6b02747","","","0.71073","MoKα","","0.0638","0.0553","","","0.1373","0.1401","","","","","","1.12","","","","has coordinates","240824","2020-10-21","18:00:00",""
"4130365","42.9399","0.0015","12.8337","0.0005","18.6967","0.0007","90","","95.8809","0.0013","90","","10249.1","0.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46.5 H39.5 Cl1.5 F6 Ir N6 O5 -","- C46.5 H39.5 Cl1.5 F6 Ir N6 O5 -","- C372 H316 Cl12 F48 Ir8 N48 O40 -","8","1","","Xu, Weici; Arieno, Marcus; Löw, Henrik; Huang, Kaifang; Xie, Xiulan; Cruchter, Thomas; Ma, Qiao; Xi, Jianwei; Huang, Biao; Wiest, Olaf; Gong, Lei; Meggers, Eric","Metal-Templated Design: Enantioselective Hydrogen-Bond-Driven Catalysis Requiring Only Parts-per-Million Catalyst Loading.","Journal of the American Chemical Society","2016","138","28","8774","8780","10.1021/jacs.6b02769","","","0.70932","MoKα","","0.0755","0.0595","","","0.1867","0.2137","","","","","","1.008","","","","has coordinates","240825","2020-10-21","18:00:00",""
"4130366","10.3862","0.0003","21.7927","0.0007","15.7223","0.0005","90","","104.915","0.003","90","","3438.74","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 Cl5 Ir N5 O2 -","- C36 H27 Cl5 Ir N5 O2 -","- C144 H108 Cl20 Ir4 N20 O8 -","4","1","","Xu, Weici; Arieno, Marcus; Löw, Henrik; Huang, Kaifang; Xie, Xiulan; Cruchter, Thomas; Ma, Qiao; Xi, Jianwei; Huang, Biao; Wiest, Olaf; Gong, Lei; Meggers, Eric","Metal-Templated Design: Enantioselective Hydrogen-Bond-Driven Catalysis Requiring Only Parts-per-Million Catalyst Loading.","Journal of the American Chemical Society","2016","138","28","8774","8780","10.1021/jacs.6b02769","","","0.71073","MoKα","","0.0501","0.0418","","","0.1264","0.1349","","","","","","0.995","","","","has coordinates","240826","2020-10-21","18:00:00",""
"4130367","10.4226","0.0003","22.0201","0.0004","15.7757","0.0004","90","","104.508","0.003","90","","3505.18","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 Cl5 N5 O2 Rh -","- C36 H27 Cl5 N5 O2 Rh -","- C144 H108 Cl20 N20 O8 Rh4 -","4","1","","Xu, Weici; Arieno, Marcus; Löw, Henrik; Huang, Kaifang; Xie, Xiulan; Cruchter, Thomas; Ma, Qiao; Xi, Jianwei; Huang, Biao; Wiest, Olaf; Gong, Lei; Meggers, Eric","Metal-Templated Design: Enantioselective Hydrogen-Bond-Driven Catalysis Requiring Only Parts-per-Million Catalyst Loading.","Journal of the American Chemical Society","2016","138","28","8774","8780","10.1021/jacs.6b02769","","","0.71073","MoKα","","0.0466","0.0417","","","0.0978","0.1004","","","","","","1.004","","","","has coordinates","240827","2020-10-21","18:00:00",""
"4130368","19.6428","0.001","9.1623","0.0005","33.756","0.002","90","","94.1615","0.0015","90","","6059.2","0.6","120","2","120","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C39 H38 Si -","- C39 H38 Si -","- C312 H304 Si8 -","8","1","","Lutters, Dennis; Severin, Claudia; Schmidtmann, Marc; Müller, Thomas","Activation of 7-Silanorbornadienes by N-Heterocyclic Carbenes: A Selective Way to N-Heterocyclic-Carbene-Stabilized Silylenes.","Journal of the American Chemical Society","2016","138","18","6061","6067","10.1021/jacs.6b02824","","","0.71073","MoKα","","0.0708","0.0455","","","0.107","0.1203","","","","","","1.03","","","","has coordinates","240828","2020-10-21","18:00:00",""
"4130369","8.3788","0.0007","13.7166","0.0013","23.034","0.002","90","","97.494","0.003","90","","2624.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 N2 Si -","- C31 H38 N2 Si -","- C124 H152 N8 Si4 -","4","1","","Lutters, Dennis; Severin, Claudia; Schmidtmann, Marc; Müller, Thomas","Activation of 7-Silanorbornadienes by N-Heterocyclic Carbenes: A Selective Way to N-Heterocyclic-Carbene-Stabilized Silylenes.","Journal of the American Chemical Society","2016","138","18","6061","6067","10.1021/jacs.6b02824","","","0.71073","MoKα","","0.0789","0.0458","","","0.0964","0.1092","","","","","","1.013","","","","has coordinates","240829","2020-10-21","18:00:00",""
"4130370","11.176","0.0006","14.3407","0.0008","15.4197","0.0009","106.774","0.0015","103.054","0.0016","99.4585","0.0016","2234.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H74 N2 Si -","- C49 H74 N2 Si -","- C98 H148 N4 Si2 -","2","1","","Lutters, Dennis; Severin, Claudia; Schmidtmann, Marc; Müller, Thomas","Activation of 7-Silanorbornadienes by N-Heterocyclic Carbenes: A Selective Way to N-Heterocyclic-Carbene-Stabilized Silylenes.","Journal of the American Chemical Society","2016","138","18","6061","6067","10.1021/jacs.6b02824","","","0.71073","MoKα","","0.0809","0.0632","","","0.1733","0.1899","","","","","","1.002","","","","has coordinates,has disorder","240830","2020-10-21","18:00:00",""
"4130371","22.2976","0.0005","21.8242","0.0005","23.9794","0.0005","90","","90","","90","","11669","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C64.5 H82 Fe N2 O4 Si -","- C64.5 H82 Fe N2 O4 Si -","- C516 H656 Fe8 N16 O32 Si8 -","8","1","","Lutters, Dennis; Severin, Claudia; Schmidtmann, Marc; Müller, Thomas","Activation of 7-Silanorbornadienes by N-Heterocyclic Carbenes: A Selective Way to N-Heterocyclic-Carbene-Stabilized Silylenes.","Journal of the American Chemical Society","2016","138","18","6061","6067","10.1021/jacs.6b02824","","","0.71073","MoKα","","0.0693","0.045","","","0.0994","0.1109","","","","","","1.029","","","","has coordinates,has disorder","240831","2020-10-21","18:00:00",""
"4130372","10.358","0.0003","18.6766","0.0005","8.495","0.0002","90","","109.125","0.001","90","","1552.67","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BNH-III-066","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","","Hemric, Brett N.; Shen, Kun; Wang, Qiu","Copper-Catalyzed Amino Lactonization and Amino Oxygenation of Alkenes Using O-Benzoylhydroxylamines.","Journal of the American Chemical Society","2016","138","18","5813","5816","10.1021/jacs.6b02840","","","0.71073","MoKα","","0.0618","0.0511","","","0.1357","0.1439","","","","","","1.028","","","","has coordinates","240832","2020-10-21","18:00:00",""
"4130373","9.6266","0.0001","12.1164","0.0002","15.763","0.0002","107.201","0.0007","99.0307","0.0008","95.8325","0.0008","1713.1","0.04","253","0.1","253","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H28 F10 I2 N2 O6 S -","- C25 H28 F10 I2 N2 O6 S -","- C50 H56 F20 I4 N4 O12 S2 -","2","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0854","0.0525","","","0.1095","0.1232","","","","","","1.036","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130374","9.609","0.0003","11.7874","0.0004","15.6613","0.0006","106.088","0.003","99.072","0.003","97.208","0.003","1656.12","0.11","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H28 F10 I2 N2 O6 S -","- C25 H28 F10 I2 N2 O6 S -","- C50 H56 F20 I4 N4 O12 S2 -","2","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","x-ray","0.71073","MoKα","","0.0392","0.0304","","","0.052","0.0569","","","","","","1.029","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130375","8.6068","0.0001","8.8928","0.0001","13.1636","0.0002","81.3961","0.0006","81.8363","0.0006","81.3533","0.0007","977.47","0.02","253","0.1","253","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H32 F8 I4 N4 O6 S2 -","- C26 H32 F8 I4 N4 O6 S2 -","- C26 H32 F8 I4 N4 O6 S2 -","1","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0266","0.0224","","","0.0475","0.049","","","","","","1.05","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130376","11.9213","0.0003","18.4095","0.0006","8.7557","0.0002","90","","98.516","0.002","90","","1900.39","0.09","123","0.1","123","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 F8 I4 N4 O6 S2 -","- C26 H32 F8 I4 N4 O6 S2 -","- C52 H64 F16 I8 N8 O12 S4 -","2","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","x-ray","0.71073","MoKα","","0.0206","0.0178","","","0.0381","0.0391","","","","","","1.032","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130377","11.5819","0.0003","18.0821","0.0007","8.6578","0.0003","90","","98.464","0.003","90","","1793.41","0.11","123","0.1","123","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Br4 F8 N4 O6 S2 -","- C26 H32 Br4 F8 N4 O6 S2 -","- C52 H64 Br8 F16 N8 O12 S4 -","2","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","x-ray","0.71073","MoKα","","0.0498","0.0327","","","0.061","0.0667","","","","","","1.026","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130378","11.9443","0.0005","19.5839","0.0005","26.1625","0.0009","90","","90","","90","","6119.8","0.4","253","0.1","253","0.1","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C17 H28 F8 I2 N2 O6 S -","- C17 H28 F8 I2 N2 O6 S -","- C136 H224 F64 I16 N16 O48 S8 -","8","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.1376","0.0939","","","0.1931","0.2181","","","","","","1.112","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130379","12.599","0.0003","17.0505","0.0004","19.7734","0.0004","69.408","0.002","85.6061","0.0019","69.27","0.002","3713.32","0.16","253","0.1","253","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C27.38 H30 F11.15 I2.22 N2 O6 S -","- C27.3818 H30 F11.1515 I2.2303 N2 O6 S -","- C109.527 H120 F44.606 I8.9212 N8 O24 S4 -","4","2","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","x-ray","0.71073","MoKα","","0.0498","0.037","","","0.0867","0.0951","","","","","","1.03","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130380","12.44152","0.00019","16.9891","0.0003","19.5792","0.0003","68.9618","0.0016","85.8437","0.0013","69.8182","0.0016","3619.2","0.12","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C27.35 H30 F11.12 I2.22 N2 O6 S -","- C27.3617 H30 F11.1348 I2.22695 N2 O6 S -","- C109.447 H120 F44.539 I8.9078 N8 O24 S4 -","4","2","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","x-ray","0.71073","MoKα","","0.0312","0.0261","","","0.0587","0.0615","","","","","","1.058","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130381","9.8179","0.0002","13.3362","0.0003","15.0376","0.0006","73.839","0.003","89.14","0.002","83.3489","0.0019","1878.09","0.1","253","0.1","253","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H30 F8 I4 N2 O6 S -","- C26 H30 F8 I4 N2 O6 S -","- C52 H60 F16 I8 N4 O12 S2 -","2","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0629","0.054","","","0.1133","0.1165","","","","","","1.138","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130382","9.72","0.0003","10.7923","0.0003","11.3901","0.0003","86.699","0.002","63.843","0.003","73.958","0.002","1027.85","0.06","253","0.1","253","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 F8 I4 N4 O6 S2 -","- C28 H36 F8 I4 N4 O6 S2 -","- C28 H36 F8 I4 N4 O6 S2 -","1","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0549","0.0442","","","0.0699","0.0736","","","","","","1.178","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130383","9.846","0.0002","10.4792","0.0003","11.3413","0.0003","85.313","0.002","64.871","0.002","71.883","0.002","1005.18","0.05","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 F8 I4 N4 O6 S2 -","- C28 H36 F8 I4 N4 O6 S2 -","- C28 H36 F8 I4 N4 O6 S2 -","1","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0239","0.0232","","","0.0557","0.056","","","","","","1.246","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130384","10.0188","0.0001","13.4363","0.0001","15.5834","0.0002","90","","90.1191","0.0007","90","","2097.76","0.04","253","0.1","253","0.1","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C28 H36 F8 I4 N4 O6 S2 -","- C28 H36 F8 I4 N4 O6 S2 -","- C56 H72 F16 I8 N8 O12 S4 -","2","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0445","0.0367","","","0.0822","0.0859","","","","","","1.031","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130385","9.9852","0.0001","13.3367","0.0001","15.2415","0.0002","90","","90.7746","0.0006","90","","2029.52","0.04","123","0.1","123","0.1","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C28 H36 F8 I4 N4 O6 S2 -","- C28 H36 F8 I4 N4 O6 S2 -","- C56 H72 F16 I8 N8 O12 S4 -","2","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0307","0.0282","","","0.0603","0.0613","","","","","","1.122","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130386","9.8094","0.0003","12.7105","0.0003","15.1305","0.0005","112.153","0.0016","91.9758","0.0012","97.0029","0.0017","1727.56","0.09","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H30 Br4 F8 N2 O6 S -","- C26 H30 Br4 F8 N2 O6 S -","- C52 H60 Br8 F16 N4 O12 S2 -","2","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0596","0.0403","","","0.0868","0.0946","","","","","","1.05","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130387","9.7881","0.0001","12.6817","0.0001","13.5747","0.0001","94.8419","0.0006","105.916","0.0004","93.9121","0.0006","1607.29","0.02","253","0.1","253","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C18 H30 F8 I2 N2 O6 S -","- C18 H30 F8 I2 N2 O6 S -","- C36 H60 F16 I4 N4 O12 S2 -","2","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0406","0.0324","","","0.0727","0.0767","","","","","","1.012","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130388","10.37","0.0002","13.8862","0.0002","12.7542","0.0001","90","","103.61","0.0008","90","","1785.03","0.05","170","0.1","170","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H28 F10 I2 N2 O6 S -","- C29 H28 F10 I2 N2 O6 S -","- C58 H56 F20 I4 N4 O12 S2 -","2","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0347","0.0295","","","0.0633","0.0656","","","","","","1.024","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130389","8.9537","0.0001","9.519","0.0001","11.4872","0.0001","80.3533","0.0006","75.0509","0.0008","70.2282","0.0007","886.677","0.016","170","0.1","170","0.1","","","","","","","","7","P 1","P 1","1","","","","- C29 H28 F10 I2 N2 O6 S -","- C29 H28 F10 I2 N2 O6 S -","- C29 H28 F10 I2 N2 O6 S -","1","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.031","0.0261","","","0.0553","0.0572","","","","","","1.07","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130390","9.1335","0.0002","12.3265","0.0003","26.0309","0.0007","90","","99.35","0.002","90","","2891.73","0.12","123","0.1","123","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 F4 I2 N2 O6 S -","- C23 H28 F4 I2 N2 O6 S -","- C92 H112 F16 I8 N8 O24 S4 -","4","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","x-ray","0.71073","MoKα","","0.0199","0.0179","","","0.0395","0.0405","","","","","","1.078","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130391","12.3528","0.0001","25.5555","0.0002","38.3682","0.0003","90","","90","","90","","12112.2","0.17","123","0.1","123","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H28 F8 I2 N2 O6 S -","- C21.008 H28.012 F8 I2 N2 O6.003 S -","- C336.128 H448.192 F128 I32 N32 O96.048 S16 -","16","2","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0505","0.0393","","","0.083","0.0876","","","","","","1.056","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130392","9.7851","0.0001","13.5446","0.0002","16.3773","0.0002","90","","96.9011","0.0009","90","","2154.84","0.05","253","0.1","253","0.1","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C32 H36 F8 I4 N4 O6 S2 -","- C32 H36 F8 I4 N4 O6 S2 -","- C64 H72 F16 I8 N8 O12 S4 -","2","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0461","0.0331","","","0.0656","0.0702","","","","","","1.041","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130393","12.5948","0.0003","25.0859","0.0009","19.8262","0.0005","90","","96.447","0.003","90","","6224.5","0.3","123","0.1","123","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 F8 I2 N2 O6 S -","- C22.002 H30 F8.004 I2 N2 O6 S -","- C176.016 H240 F64.032 I16 N16 O48 S8 -","8","2","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","x-ray","0.71073","MoKα","","0.039","0.0285","","","0.0573","0.0591","","","","","","0.942","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130394","10.3194","0.0008","8.9387","0.0008","20.8179","0.0014","90","","90.85","0.003","90","","1920.1","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H46 P2 Pd -","- C50 H46 P2 Pd -","- C100 H92 P4 Pd2 -","2","1","","Gutiérrez-Bonet, Álvaro; Juliá-Hernández, Francisco; de Luis, Beatriz; Martin, Ruben","Pd-Catalyzed C(sp(3))-H Functionalization/Carbenoid Insertion: All-Carbon Quaternary Centers via Multiple C-C Bond Formation.","Journal of the American Chemical Society","2016","138","20","6384","6387","10.1021/jacs.6b02867","","","0.71073","MoKα","","0.0907","0.0599","","","0.1111","0.1222","","","","","","1.021","","","","has coordinates,has disorder","240834","2020-10-21","18:00:00",""
"4130395","8.2724","0.0006","8.3263","0.0005","12.4647","0.0008","99.3703","0.0019","98.059","0.002","119.556","0.0018","712.13","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C36 H36 O4 -","2","1","","Gutiérrez-Bonet, Álvaro; Juliá-Hernández, Francisco; de Luis, Beatriz; Martin, Ruben","Pd-Catalyzed C(sp(3))-H Functionalization/Carbenoid Insertion: All-Carbon Quaternary Centers via Multiple C-C Bond Formation.","Journal of the American Chemical Society","2016","138","20","6384","6387","10.1021/jacs.6b02867","","","0.71073","MoKα","","0.0646","0.0598","","","0.1705","0.1743","","","","","","1.115","","","","has coordinates","240835","2020-10-21","18:00:00",""
"4130396","9.595","0.0018","9.6214","0.0019","21.763","0.005","86.505","0.007","83.992","0.007","87.351","0.008","1992.7","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H64 O P2 Pd -","- C46 H64 O P2 Pd -","- C92 H128 O2 P4 Pd2 -","2","1","","Gutiérrez-Bonet, Álvaro; Juliá-Hernández, Francisco; de Luis, Beatriz; Martin, Ruben","Pd-Catalyzed C(sp(3))-H Functionalization/Carbenoid Insertion: All-Carbon Quaternary Centers via Multiple C-C Bond Formation.","Journal of the American Chemical Society","2016","138","20","6384","6387","10.1021/jacs.6b02867","","","0.71073","MoKα","","0.2081","0.1332","","","0.2918","0.3162","","","","","","1.516","","","","has coordinates","240836","2020-10-21","18:00:00",""
"4130397","8.96","0.003","13.051","0.005","27.917","0.01","96.541","0.007","90.943","0.007","100.171","0.007","3190","2","298","2","298","2","","","","","","","","2","P -1","-P 1","2","","","","- C19 Cl15 -","- C19 Cl15 -","- C76 Cl60 -","4","2","","Souto, Manuel; Cui, HengBo; Peña-Álvarez, Miriam; Baonza, Valentín G; Jeschke, Harald O.; Tomic, Milan; Valentí, Roser; Blasi, Davide; Ratera, Imma; Rovira, Concepció; Veciana, Jaume","Pressure-Induced Conductivity in a Neutral Nonplanar Spin-Localized Radical.","Journal of the American Chemical Society","2016","138","36","11517","11525","10.1021/jacs.6b02888","","","0.71073","MoKα","","0.1766","0.0691","","","0.1541","0.2052","","","","","","0.881","","","","has coordinates","240837","2020-10-21","18:00:00",""
"4130398","17.411","0.003","7.9517","0.0016","30.177","0.006","90","","103.588","0.004","90","","4061","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H10 Cl14 N S4 -","- C35 H10 Cl14 N S4 -","- C140 H40 Cl56 N4 S16 -","4","2","","Souto, Manuel; Cui, HengBo; Peña-Álvarez, Miriam; Baonza, Valentín G; Jeschke, Harald O.; Tomic, Milan; Valentí, Roser; Blasi, Davide; Ratera, Imma; Rovira, Concepció; Veciana, Jaume","Pressure-Induced Conductivity in a Neutral Nonplanar Spin-Localized Radical.","Journal of the American Chemical Society","2016","138","36","11517","11525","10.1021/jacs.6b02888","","","0.71073","MoKα","","0.2193","0.0614","","","0.1036","0.1457","","","","","","0.917","","","","has coordinates","240838","2020-10-21","18:00:00",""
"4130399","12.1017","0.0004","12.7507","0.0004","14.0794","0.0005","71.154","0.001","82.268","0.001","71.918","0.001","1953.09","0.11","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C33.5 H36 Cl4 F6 N4 O3.5 P Ru -","- C33.5 H36 Cl4 F6 N4 O3.5 P Ru -","- C67 H72 Cl8 F12 N8 O7 P2 Ru2 -","2","1","","Xie, Jianhui; Man, Wai-Lun; Wong, Chun-Yuen; Chang, Xiaoyong; Che, Chi-Ming; Lau, Tai-Chu","Four-Electron Oxidation of Phenols to p-Benzoquinone Imines by a (Salen)ruthenium(VI) Nitrido Complex.","Journal of the American Chemical Society","2016","138","18","5817","5820","10.1021/jacs.6b02923","","","1.54178","CuKα","","0.0753","0.074","","","0.2049","0.2063","","","","","","1.085","","","","has coordinates,has disorder","240839","2020-10-21","18:00:00",""
"4130400","24.8814","0.0006","20.0338","0.0005","29.5126","0.0007","90","","90","","90","","14711.1","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35.25 H33.75 Cl2 N4.75 O3.5 Ru -","- C35.25 H33.75 Cl2 N4.75 O3.5 Ru -","- C564 H540 Cl32 N76 O56 Ru16 -","16","2","","Xie, Jianhui; Man, Wai-Lun; Wong, Chun-Yuen; Chang, Xiaoyong; Che, Chi-Ming; Lau, Tai-Chu","Four-Electron Oxidation of Phenols to p-Benzoquinone Imines by a (Salen)ruthenium(VI) Nitrido Complex.","Journal of the American Chemical Society","2016","138","18","5817","5820","10.1021/jacs.6b02923","","","1.54178","CuKα","","0.0506","0.0477","","","0.1329","0.1361","","","","","","1.093","","","","has coordinates,has disorder","240841","2020-10-21","18:00:00",""
"4130401","10.5376","0.0008","13.4923","0.001","13.7084","0.0011","90","","90","","90","","1949","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Cl O4 -","- C24 H19 Cl O4 -","- C96 H76 Cl4 O16 -","4","1","","Zhang, Guoxiang; Yang, Shuang; Zhang, Xiaoyan; Lin, Qiqiao; Das, Deb K.; Liu, Jian; Fang, Xinqiang","Dynamic Kinetic Resolution Enabled by Intramolecular Benzoin Reaction: Synthetic Applications and Mechanistic Insights.","Journal of the American Chemical Society","2016","138","25","7932","7938","10.1021/jacs.6b02929","","","0.71073","MoKα","","0.0394","0.0345","","","0.0815","0.0855","","","","","","1.036","","","","has coordinates","240842","2020-10-21","18:00:00",""
"4130402","6.2378","0.0012","11.146","0.002","23.681","0.005","90","","90","","90","","1646.5","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Cl O4 -","- C19 H17 Cl O4 -","- C76 H68 Cl4 O16 -","4","1","","Zhang, Guoxiang; Yang, Shuang; Zhang, Xiaoyan; Lin, Qiqiao; Das, Deb K.; Liu, Jian; Fang, Xinqiang","Dynamic Kinetic Resolution Enabled by Intramolecular Benzoin Reaction: Synthetic Applications and Mechanistic Insights.","Journal of the American Chemical Society","2016","138","25","7932","7938","10.1021/jacs.6b02929","","","0.71073","MoKα","","0.0455","0.0403","","","0.0982","0.1014","","","","","","1.052","","","","has coordinates","240843","2020-10-21","18:00:00",""
"4130403","6.0467","0.0004","9.9294","0.0008","27.622","0.002","90","","90","","90","","1658.4","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","","Zhang, Guoxiang; Yang, Shuang; Zhang, Xiaoyan; Lin, Qiqiao; Das, Deb K.; Liu, Jian; Fang, Xinqiang","Dynamic Kinetic Resolution Enabled by Intramolecular Benzoin Reaction: Synthetic Applications and Mechanistic Insights.","Journal of the American Chemical Society","2016","138","25","7932","7938","10.1021/jacs.6b02929","","","0.71073","MoKα","","0.052","0.0324","","","0.0698","0.077","","","","","","0.884","","","","has coordinates","240844","2020-10-21","18:00:00",""
"4130404","6.6769","0.0005","12.7034","0.0012","23.779","0.002","90","","90","","90","","2016.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Cl O4 -","- C24 H19 Cl O4 -","- C96 H76 Cl4 O16 -","4","1","","Zhang, Guoxiang; Yang, Shuang; Zhang, Xiaoyan; Lin, Qiqiao; Das, Deb K.; Liu, Jian; Fang, Xinqiang","Dynamic Kinetic Resolution Enabled by Intramolecular Benzoin Reaction: Synthetic Applications and Mechanistic Insights.","Journal of the American Chemical Society","2016","138","25","7932","7938","10.1021/jacs.6b02929","","","0.71073","MoKα","","0.0878","0.0789","","","0.23","0.2413","","","","","","1.091","","","","has coordinates","240845","2020-10-21","18:00:00",""
"4130405","23.1392","0.001","23.1392","0.001","41.5631","0.0019","90","","90","","90","","22253.8","1.7","298","2","298.15","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- In4 O10 S32 Sn16 -","- In4 O10 S32 Sn16 -","- In32 O80 S256 Sn128 -","8","0.25","","Zhang, Xian-Ming; Sarma, Debajit; Wu, Ya-Qin; Wang, Li; Ning, Zhi-Xue; Zhang, Fu-Qiang; Kanatzidis, Mercouri G.","Open-Framework Oxysulfide Based on the Supertetrahedral [In4Sn16O10S34](12-) Cluster and Efficient Sequestration of Heavy Metals.","Journal of the American Chemical Society","2016","138","17","5543","5546","10.1021/jacs.6b02959","","","0.71073","MoKα","","0.1079","0.0444","","","0.0919","0.1056","","","","","","0.794","","","","has coordinates","240846","2020-10-21","18:00:00",""
"4130406","8.587","0.003","11.651","0.004","14.574","0.006","107.133","0.005","97.316","0.005","92.476","0.005","1377","0.9","143","","143","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 D O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","2","","Nogi, Keisuke; Fujihara, Tetsuaki; Terao, Jun; Tsuji, Yasushi","Carboxyzincation Employing Carbon Dioxide and Zinc Powder: Cobalt-Catalyzed Multicomponent Coupling Reactions with Alkynes.","Journal of the American Chemical Society","2016","138","17","5547","5550","10.1021/jacs.6b02961","","","0.7107","MoKα","","0.0764","0.0395","","","0.084","0.1023","","","","","","1.016","","","","has coordinates","240847","2020-10-21","18:00:00",""
"4130407","20.128","0.018","43.359","0.039","7.4073","0.0067","90","","90.5085","0.0041","90","","6464","10","300","","300","","","","","","","","","3","C 1 n 1","C -2yac","9","","","","- C66 H36 O12 -","- C66 H36 O12 -","- C264 H144 O48 -","4","1","","Hisaki, Ichiro; Nakagawa, Shoichi; Ikenaka, Nobuaki; Imamura, Yutaka; Katouda, Michio; Tashiro, Motomichi; Tsuchida, Hiromu; Ogoshi, Tomoki; Sato, Hiroyasu; Tohnai, Norimitsu; Miyata, Mikiji","A Series of Layered Assemblies of Hydrogen-Bonded, Hexagonal Networks of C3-Symmetric π-Conjugated Molecules: A Potential Motif of Porous Organic Materials.","Journal of the American Chemical Society","2016","138","20","6617","6628","10.1021/jacs.6b02968","","","1","synchrotron","","","","","","","","","","","","","","","","","has coordinates","240848","2020-10-21","18:00:00",""
"4130408","18.238","0.0002","21.7332","0.0002","21.6772","0.0002","105.474","0.0004","103.115","0.0005","99.916","0.0009","7812.88","0.14","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C143 H87 N O27 -","- C143 H87 N O27 -","- C286 H174 N2 O54 -","2","1","","Hisaki, Ichiro; Nakagawa, Shoichi; Ikenaka, Nobuaki; Imamura, Yutaka; Katouda, Michio; Tashiro, Motomichi; Tsuchida, Hiromu; Ogoshi, Tomoki; Sato, Hiroyasu; Tohnai, Norimitsu; Miyata, Mikiji","A Series of Layered Assemblies of Hydrogen-Bonded, Hexagonal Networks of C3-Symmetric π-Conjugated Molecules: A Potential Motif of Porous Organic Materials.","Journal of the American Chemical Society","2016","138","20","6617","6628","10.1021/jacs.6b02968","","","0.8","synchrotron","","0.1389","0.1204","","","0.3683","0.3903","","","","","","1.655","","","","has coordinates,has disorder","240849","2020-10-21","18:00:00",""
"4130409","14.2413","0.0003","16.8612","0.0003","20.8726","0.0004","89.539","0.0008","88.175","0.0008","82.566","0.0008","4967.35","0.17","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C81 H60 Cl3 N3 O15 -","- C81 H60 Cl3 N3 O15 -","- C162 H120 Cl6 N6 O30 -","2","1","","Hisaki, Ichiro; Nakagawa, Shoichi; Ikenaka, Nobuaki; Imamura, Yutaka; Katouda, Michio; Tashiro, Motomichi; Tsuchida, Hiromu; Ogoshi, Tomoki; Sato, Hiroyasu; Tohnai, Norimitsu; Miyata, Mikiji","A Series of Layered Assemblies of Hydrogen-Bonded, Hexagonal Networks of C3-Symmetric π-Conjugated Molecules: A Potential Motif of Porous Organic Materials.","Journal of the American Chemical Society","2016","138","20","6617","6628","10.1021/jacs.6b02968","","","1.54187","CuKα","","0.2245","0.123","","","0.3723","0.4397","","","","","","1.113","","","","has coordinates","240850","2020-10-21","18:00:00",""
"4130410","15.3971","0.0011","17.5779","0.0009","26.0548","0.0013","88.62","0.004","87.381","0.005","65.012","0.006","6384.9","0.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C141 H73.5 Cl25.5 O12 -","- C141 H73.5 Cl25.5 O12 -","- C282 H147 Cl51 O24 -","2","1","","Hisaki, Ichiro; Nakagawa, Shoichi; Ikenaka, Nobuaki; Imamura, Yutaka; Katouda, Michio; Tashiro, Motomichi; Tsuchida, Hiromu; Ogoshi, Tomoki; Sato, Hiroyasu; Tohnai, Norimitsu; Miyata, Mikiji","A Series of Layered Assemblies of Hydrogen-Bonded, Hexagonal Networks of C3-Symmetric π-Conjugated Molecules: A Potential Motif of Porous Organic Materials.","Journal of the American Chemical Society","2016","138","20","6617","6628","10.1021/jacs.6b02968","","","1.54187","CuKα","","0.2597","0.1413","","","0.3875","0.4324","","","","","","1.088","","","","has coordinates,has disorder","240851","2020-10-21","18:00:00",""
"4130411","15.3981","0.0002","21.2475","0.0002","23.5028","0.0002","67.6497","0.0006","76.3614","0.0006","83.8777","0.0007","6910.01","0.13","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C138 H75 Cl3 O24 -","- C138 H75 Cl3 O24 -","- C276 H150 Cl6 O48 -","2","1","","Hisaki, Ichiro; Nakagawa, Shoichi; Ikenaka, Nobuaki; Imamura, Yutaka; Katouda, Michio; Tashiro, Motomichi; Tsuchida, Hiromu; Ogoshi, Tomoki; Sato, Hiroyasu; Tohnai, Norimitsu; Miyata, Mikiji","A Series of Layered Assemblies of Hydrogen-Bonded, Hexagonal Networks of C3-Symmetric π-Conjugated Molecules: A Potential Motif of Porous Organic Materials.","Journal of the American Chemical Society","2016","138","20","6617","6628","10.1021/jacs.6b02968","","","0.8","synchrotron","","0.1195","0.1065","","","0.3245","0.3362","","","","","","1.061","","","","has coordinates","240852","2020-10-21","18:00:00",""
"4130412","10.4003","0.0009","16.0666","0.0013","21.687","0.0018","106.88","0.004","91.828","0.004","90.151","0.004","3465.7","0.5","100","2","100.04","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H62 Cu4 K N13 O33 P4 -","- C34 H48 Cu4 K N13 O33 P4 -","- C68 H96 Cu8 K2 N26 O66 P8 -","2","1","","Du, Kang; Harris, T. David","A Cu(II)2 Paramagnetic Chemical Exchange Saturation Transfer Contrast Agent Enabled by Magnetic Exchange Coupling.","Journal of the American Chemical Society","2016","138","25","7804","7807","10.1021/jacs.6b03060","","","0.71073","MoKα","","0.0823","0.0705","","","0.2074","0.2169","","","","","","1.043","","","","has coordinates,has disorder","240853","2020-10-21","18:00:00",""
"4130413","18.133","0.012","11.428","0.007","29.728","0.019","90","","96.237","0.006","90","","6124","7","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H47 O3 P3 Pd S -","- C24.001 H45.285 O3 P3 Pd S -","- C192.008 H362.28 O24 P24 Pd8 S8 -","8","1","","Zhu, Yueyue; Chen, Tieqiao; Li, Shan; Shimada, Shigeru; Han, Li-Biao","Efficient Pd-Catalyzed Dehydrogenative Coupling of P(O)H with RSH: A Precise Construction of P(O)-S Bonds.","Journal of the American Chemical Society","2016","138","18","5825","5828","10.1021/jacs.6b03112","","","0.71073","MoKα","","0.0302","0.0277","","","0.0657","0.0673","","","","","","1.111","","","","has coordinates,has disorder","240854","2020-10-21","18:00:00",""
"4130414","7.8238","0.0012","9.782","0.0015","14.414","0.002","90","","91.602","0.002","90","","1102.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H0.5 Cu I2 N8 -","- C16 H24 Cu I2 N8 -","- C32 H48 Cu2 I4 N16 -","2","0.5","","Liebeskind, Lanny S.; Gangireddy, Pavankumar; Lindale, Matthew G.","Benzoisothiazolone Organo/Copper-Cocatalyzed Redox Dehydrative Construction of Amides and Peptides from Carboxylic Acids using (EtO)3P as the Reductant and O2 in Air as the Terminal Oxidant.","Journal of the American Chemical Society","2016","138","21","6715","6718","10.1021/jacs.6b03168","","","0.71073","MoKα","","0.0302","0.0269","","","0.0669","0.0697","","","","","","1.125","","","","has coordinates","240855","2020-10-21","18:00:00",""
"4130415","15.835","0.002","15.835","0.002","27.47","0.006","90","","90","","120","","5965.2","1.7","173","2","173.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C39 H60 Fe O3 P2 -","- C39 H60 Fe O3 P2 -","- C234 H360 Fe6 O18 P12 -","6","0.166667","","Lang, Georgette M.; Shima, Takanori; Wang, Leyong; Cluff, Kyle J.; Skopek, Katrin; Hampel, Frank; Blümel, Janet; Gladysz, John A.","Gyroscope-Like Complexes Based on Dibridgehead Diphosphine Cages That Are Accessed by Three-Fold Intramolecular Ring Closing Metatheses and Encase Fe(CO)3, Fe(CO)2(NO)(+), and Fe(CO)3(H)(+) Rotators.","Journal of the American Chemical Society","2016","138","24","7649","7663","10.1021/jacs.6b03178","","","0.71073","MoKα","","0.08","0.0527","","","0.1115","0.1214","","","","","","1.085","","","","has coordinates","240856","2020-10-21","18:00:00",""
"4130416","13.082","0.0003","23.0562","0.0009","17.1097","0.0006","90","","106.467","0.002","90","","4949","0.3","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H78 Fe O3 P2 -","- C51 H78 Fe O3 P2 -","- C204 H312 Fe4 O12 P8 -","4","0.5","","Lang, Georgette M.; Shima, Takanori; Wang, Leyong; Cluff, Kyle J.; Skopek, Katrin; Hampel, Frank; Blümel, Janet; Gladysz, John A.","Gyroscope-Like Complexes Based on Dibridgehead Diphosphine Cages That Are Accessed by Three-Fold Intramolecular Ring Closing Metatheses and Encase Fe(CO)3, Fe(CO)2(NO)(+), and Fe(CO)3(H)(+) Rotators.","Journal of the American Chemical Society","2016","138","24","7649","7663","10.1021/jacs.6b03178","","","0.71073","MoKα","","0.054","0.0336","","","0.0799","0.0875","","","","","","1.03","","","","has coordinates","240856","2020-10-21","18:00:00",""
"4130417","21.5104","0.0008","13.9765","0.0006","18.3436","0.0008","90","","122.839","0.002","90","","4633.5","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H84 Fe O3 P2 -","- C45 H84 Fe O3 P2 -","- C180 H336 Fe4 O12 P8 -","4","0.5","","Lang, Georgette M.; Shima, Takanori; Wang, Leyong; Cluff, Kyle J.; Skopek, Katrin; Hampel, Frank; Blümel, Janet; Gladysz, John A.","Gyroscope-Like Complexes Based on Dibridgehead Diphosphine Cages That Are Accessed by Three-Fold Intramolecular Ring Closing Metatheses and Encase Fe(CO)3, Fe(CO)2(NO)(+), and Fe(CO)3(H)(+) Rotators.","Journal of the American Chemical Society","2016","138","24","7649","7663","10.1021/jacs.6b03178","","","0.71073","MoKα","","0.0889","0.0428","","","0.0907","0.1036","","","","","","1.001","","","","has coordinates","240856","2020-10-21","18:00:00",""
"4130418","8.0463","0.0004","16.1268","0.0007","22.1134","0.001","90","","90","","90","","2869.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","LC3","","","- C31 H47 Au Cl3 P -","- C31 H47 Au Cl3 P -","- C124 H188 Au4 Cl12 P4 -","4","1","","Chen, Liye; Ren, Peng; Carrow, Brad P.","Tri(1-adamantyl)phosphine: Expanding the Boundary of Electron-Releasing Character Available to Organophosphorus Compounds.","Journal of the American Chemical Society","2016","138","20","6392","6395","10.1021/jacs.6b03215","","","0.71073","MoKα","","0.0345","0.0311","","","0.0669","0.0677","","","","","","1.105","","","","has coordinates","240857","2020-10-21","18:00:00",""
"4130419","10.7563","0.0008","11.5192","0.0008","17.1433","0.0012","90","","91.448","0.002","90","","2123.4","0.3","100","","100","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C49 H68 N O5 P Pd S -","- C49 H68 N O5 P Pd S -","- C98 H136 N2 O10 P2 Pd2 S2 -","2","1","","Chen, Liye; Ren, Peng; Carrow, Brad P.","Tri(1-adamantyl)phosphine: Expanding the Boundary of Electron-Releasing Character Available to Organophosphorus Compounds.","Journal of the American Chemical Society","2016","138","20","6392","6395","10.1021/jacs.6b03215","","","0.71073","MoKα","","0.0267","0.0239","","","0.0545","0.0556","","","","","","1.0309","","","","has coordinates","240858","2020-10-21","18:00:00",""
"4130420","31.4376","0.0008","13.3371","0.0004","19.0763","0.0005","90","","91.084","0.001","90","","7997","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H59 Ce N5 O3 Si2 -","- C37 H59 Ce N5 O3 Si2 -","- C296 H472 Ce8 N40 O24 Si16 -","8","2","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","An Alkali Metal-Capped Cerium(IV) Imido Complex.","Journal of the American Chemical Society","2016","138","22","6928","6931","10.1021/jacs.6b03293","","","0.71073","MoKα","","0.0847","0.049","","","0.0927","0.105","","","","","","1.059","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4130421","11.9773","0.0003","17.8482","0.0004","20.9505","0.0005","90","","97.343","0.001","90","","4441.93","0.18","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H57 Ce F6 N5 O4 -","- C45 H57 Ce F6 N5 O4 -","- C180 H228 Ce4 F24 N20 O16 -","4","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","An Alkali Metal-Capped Cerium(IV) Imido Complex.","Journal of the American Chemical Society","2016","138","22","6928","6931","10.1021/jacs.6b03293","","","0.71073","MoKα","","0.061","0.0376","","","0.0833","0.0916","","","","","","1.031","","","","has coordinates","240859","2020-10-21","18:00:00",""
"4130422","11.8007","0.0006","17.3405","0.0009","14.0927","0.0007","90","","91.239","0.003","90","","2883.1","0.3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H68 Ce F6 K N5 O7 -","- C49 H68 Ce F6 K N5 O7 -","- C98 H136 Ce2 F12 K2 N10 O14 -","2","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","An Alkali Metal-Capped Cerium(IV) Imido Complex.","Journal of the American Chemical Society","2016","138","22","6928","6931","10.1021/jacs.6b03293","","","0.71073","MoKα","","0.0349","0.027","","","0.0557","0.0579","","","","","","1.006","","","","has coordinates,has disorder","240859","2020-10-21","18:00:00",""
"4130423","11.3019","0.0003","12.196","0.0003","18.6065","0.0005","103.394","0.002","93.797","0.002","113.733","0.002","2247.02","0.11","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H57 Ce F6 N5 O3 Si -","- C44 H57 Ce F6 N5 O3 Si -","- C88 H114 Ce2 F12 N10 O6 Si2 -","2","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","An Alkali Metal-Capped Cerium(IV) Imido Complex.","Journal of the American Chemical Society","2016","138","22","6928","6931","10.1021/jacs.6b03293","","","0.71073","MoKα","","0.0341","0.0258","","","0.0532","0.056","","","","","","1.03","","","","has coordinates","240859","2020-10-21","18:00:00",""
"4130424","10.1007","0.0008","12.8982","0.0007","15.4354","0.0015","81.816","0.006","80.903","0.009","70.138","0.006","1859","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H52 Au N S8 -","- C28 H52 Au N S8 -","- C56 H104 Au2 N2 S16 -","2","2","","Branzea, Diana G.; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Localization versus Delocalization in Chiral Single Component Conductors of Gold Bis(dithiolene) Complexes.","Journal of the American Chemical Society","2016","138","21","6838","6851","10.1021/jacs.6b03342","","","0.71073","MoKα","","0.0854","0.0379","","","0.0641","0.0793","","","","","","1.027","","","","has coordinates","240860","2020-10-21","18:00:00",""
"4130425","9.9946","0.0006","12.8908","0.0012","15.4197","0.0013","81.69","0.006","80.294","0.005","69.818","0.006","1830","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H52 N Ni S8 -","- C28 H52 N Ni S8 -","- C56 H104 N2 Ni2 S16 -","2","2","","Branzea, Diana G.; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Localization versus Delocalization in Chiral Single Component Conductors of Gold Bis(dithiolene) Complexes.","Journal of the American Chemical Society","2016","138","21","6838","6851","10.1021/jacs.6b03342","","","0.71073","MoKα","","0.0936","0.045","","","0.0871","0.1068","","","","","","1.02","","","","has coordinates","240860","2020-10-21","18:00:00",""
"4130426","6.957","0.005","7.938","0.005","9.378","0.005","73.394","0.005","74.625","0.005","73.189","0.005","465.6","0.5","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H16 Au S8 -","- C12 H16 Au S8 -","- C12 H16 Au S8 -","1","1","","Branzea, Diana G.; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Localization versus Delocalization in Chiral Single Component Conductors of Gold Bis(dithiolene) Complexes.","Journal of the American Chemical Society","2016","138","21","6838","6851","10.1021/jacs.6b03342","","","0.71073","MoKα","","0.0784","0.0454","","","0.0625","0.0678","","","","","","1.01","","","","has coordinates","240860","2020-10-21","18:00:00",""
"4130427","6.9784","0.0004","7.8994","0.0006","9.217","0.0005","70.105","0.006","75.451","0.005","75.277","0.004","454.44","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H16 Ni S8 -","- C12 H16 Ni S8 -","- C12 H16 Ni S8 -","1","1","","Branzea, Diana G.; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Localization versus Delocalization in Chiral Single Component Conductors of Gold Bis(dithiolene) Complexes.","Journal of the American Chemical Society","2016","138","21","6838","6851","10.1021/jacs.6b03342","","","0.71073","MoKα","","0.0415","0.0267","","","0.0576","0.061","","","","","","1.019","","","","has coordinates","240860","2020-10-21","18:00:00",""
"4130428","11.7881","0.0002","16.3973","0.0002","19.778","0.0003","90","","105.539","0.0018","90","","3683.22","0.1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 B2 F12 Fe N6 O -","- C37 H28 B2 F12 Fe N6 O -","- C148 H112 B8 F48 Fe4 N24 O4 -","4","1","","Sahu, Sumit; Zhang, Bo; Pollock, Christopher J.; Dürr, Maximilian; Davies, Casey G.; Confer, Alex M.; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; Krebs, Carsten; Goldberg, David P.","Aromatic C-F Hydroxylation by Nonheme Iron(IV)-Oxo Complexes: Structural, Spectroscopic, and Mechanistic Investigations.","Journal of the American Chemical Society","2016","138","39","12791","12802","10.1021/jacs.6b03346","","","1.54178","CuKα","","0.0499","0.0379","","","0.0907","0.0978","","","","","","1.024","","","","has coordinates,has disorder","240861","2020-10-21","18:00:00",""
"4130429","14.4312","0.0004","12.8954","0.0003","18.3009","0.0005","90","","92.161","0.002","90","","3403.3","0.15","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H28 Cl F4 Fe N5 O6 -","- C35 H28 Cl0.9995 F4 Fe N5 O5.998 -","- C140 H112 Cl3.998 F16 Fe4 N20 O23.992 -","4","2","","Sahu, Sumit; Zhang, Bo; Pollock, Christopher J.; Dürr, Maximilian; Davies, Casey G.; Confer, Alex M.; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; Krebs, Carsten; Goldberg, David P.","Aromatic C-F Hydroxylation by Nonheme Iron(IV)-Oxo Complexes: Structural, Spectroscopic, and Mechanistic Investigations.","Journal of the American Chemical Society","2016","138","39","12791","12802","10.1021/jacs.6b03346","","","1.54178","CuKα","","0.034","0.0332","","","0.0904","0.0909","","","","","","1.018","","","","has coordinates,has disorder","240862","2020-10-21","18:00:00",""
"4130430","11.655","0.0002","26.4005","0.0006","28.4632","0.0005","90","","91.2677","0.0015","90","","8755.9","0.3","110","2","110","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C76 H61 Cl4 F6 Fe2 N11 O22 -","- C76 H61 Cl4.0008 F6 Fe2 N11 O21.8862 -","- C304 H244 Cl16.0032 F24 Fe8 N44 O87.5448 -","4","0.5","","Sahu, Sumit; Zhang, Bo; Pollock, Christopher J.; Dürr, Maximilian; Davies, Casey G.; Confer, Alex M.; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; Krebs, Carsten; Goldberg, David P.","Aromatic C-F Hydroxylation by Nonheme Iron(IV)-Oxo Complexes: Structural, Spectroscopic, and Mechanistic Investigations.","Journal of the American Chemical Society","2016","138","39","12791","12802","10.1021/jacs.6b03346","","","1.54178","CuKα","","0.0679","0.0576","","","0.1669","0.1771","","","","","","1.033","","","","has coordinates,has disorder","240863","2020-10-21","18:00:00",""
"4130431","12.6196","0.0003","20.6085","0.0005","14.9361","0.0003","90","","96.679","0.002","90","","3858.08","0.15","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H32 Cl2 F4 Fe N6 O10 -","- C39 H32 Cl2 F4 Fe N6 O10 -","- C156 H128 Cl8 F16 Fe4 N24 O40 -","4","1","","Sahu, Sumit; Zhang, Bo; Pollock, Christopher J.; Dürr, Maximilian; Davies, Casey G.; Confer, Alex M.; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; Krebs, Carsten; Goldberg, David P.","Aromatic C-F Hydroxylation by Nonheme Iron(IV)-Oxo Complexes: Structural, Spectroscopic, and Mechanistic Investigations.","Journal of the American Chemical Society","2016","138","39","12791","12802","10.1021/jacs.6b03346","","","1.54178","CuKα","","0.0521","0.0393","","","0.0939","0.1022","","","","","","1.014","","","","has coordinates,has disorder","240864","2020-10-21","18:00:00",""
"4130432","14.3561","0.001","7.4881","0.0006","18.4363","0.0012","90","","109.055","0.002","90","","1873.3","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O2 Ru -","- C24 H16 N2 O2 Ru -","- C96 H64 N8 O8 Ru4 -","4","1","","Fan, Zhoulong; Ni, Jiabin; Zhang, Ao","Meta-Selective CAr-H Nitration of Arenes through a Ru3(CO)12-Catalyzed Ortho-Metalation Strategy.","Journal of the American Chemical Society","2016","138","27","8470","8475","10.1021/jacs.6b03402","","","0.71073","MoKα","","0.0514","0.0353","","","0.0945","0.1277","","","","","","1.097","","","","has coordinates","240865","2020-10-21","18:00:00",""
"4130433","11.1346","0.0002","10.5539","0.0002","28.386","0.0006","90","","98.7877","0.0017","90","","3296.58","0.11","150","2","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H30 B F5 S -","- C42.0025 H30 B F5 S -","- C168.01 H120 B4 F20 S4 -","4","2","","Süsse, Lars; Hermeke, Julia; Oestreich, Martin","The Asymmetric Piers Hydrosilylation.","Journal of the American Chemical Society","2016","138","22","6940","6943","10.1021/jacs.6b03443","","x-ray","1.54184","CuKα","","0.0513","0.0425","","","0.1003","0.1124","","","","","","1.065","","","","has coordinates,has disorder","240866","2020-10-21","18:00:00",""
"4130434","26.977","0.004","14.654","0.002","23.39","0.003","90","","90","","90","","9247","2","100","","100","","","","","","","","dichloromethane","9","C m c e","-C 2ac 2","64","","Title","","- C43 H39 As2 B2 Cl F14 N3 O Rh -","- C43 H39 As2 B2 Cl F14 N3 O Rh -","- C344 H312 As16 B16 Cl8 F112 N24 O8 Rh8 -","8","0.5","","Dube, Jonathan W.; Zheng, Yiying; Thiel, Walter; Alcarazo, Manuel","α-Cationic Arsines: Synthesis, Structure, Reactivity, and Applications.","Journal of the American Chemical Society","2016","138","21","6869","6877","10.1021/jacs.6b03500","","","0.71073","Mo-Kα","","0.0737","0.0368","","","0.0777","0.0931","","","","","","1.087","","","","has coordinates,has disorder","240867","2020-10-21","18:00:00",""
"4130435","17.3093","0.0004","6.24868","0.00015","29.0192","0.0008","90","","102.724","0.003","90","","3061.65","0.14","100","0.11","100","0.11","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C34 H34 Br2 N2 O3 -","- C34 H34 Br2 N2 O3 -","- C136 H136 Br8 N8 O12 -","4","1","","Poulsen, Pernille H.; Vergura, Stefania; Monleón, Alicia; Jørgensen, Danny Kaare Bech; Jørgensen, Karl Anker","Controlling Asymmetric Remote and Cascade 1,3-Dipolar Cycloaddition Reactions by Organocatalysis.","Journal of the American Chemical Society","2016","138","20","6412","6415","10.1021/jacs.6b03546","","x-ray","0.71073","MoKα","","0.0545","0.0456","","","0.1141","0.1217","","","","","","1.054","","","","has coordinates","240868","2020-10-21","18:00:00",""
"4130436","24.836","0.003","10.6607","0.0006","29.1236","0.0019","90","","102.166","0.008","90","","7537.8","1.1","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H14 B F35 Ge N4 -","- C67 H14 B F35 Ge N4 -","- C268 H56 B4 F140 Ge4 N16 -","4","1","","Fang, Huayi; Jing, Huize; Zhang, Aixi; Ge, Haonan; Yao, Zhengmin; Brothers, Penelope J.; Fu, Xuefeng","Synthesis, Electronic Structure, and Reactivity Studies of a 4-Coordinate Square Planar Germanium(IV) Cation.","Journal of the American Chemical Society","2016","138","24","7705","7710","10.1021/jacs.6b03547","","","1.54184","CuKα","","0.131","0.102","","","0.2715","0.2984","","","","","","1.173","","","","has coordinates","240869","2020-10-21","18:00:00",""
"4130437","8.499","0.0019","35.608","0.007","26.043","0.006","90","","97.695","0.003","90","","7810","3","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H17 F15 Ge N4 -","- C45 H17 F15 Ge N4 -","- C360 H136 F120 Ge8 N32 -","8","2","","Fang, Huayi; Jing, Huize; Zhang, Aixi; Ge, Haonan; Yao, Zhengmin; Brothers, Penelope J.; Fu, Xuefeng","Synthesis, Electronic Structure, and Reactivity Studies of a 4-Coordinate Square Planar Germanium(IV) Cation.","Journal of the American Chemical Society","2016","138","24","7705","7710","10.1021/jacs.6b03547","","","0.71073","MoKα","","0.1171","0.091","","","0.1465","0.1575","","","","","","1.199","","","","has coordinates,has disorder","240870","2020-10-21","18:00:00",""
"4130438","13.1675","0.0005","15.2199","0.0009","19.0967","0.0011","94.292","0.005","95.582","0.004","98.626","0.004","3750.3","0.3","180.01","0.1","180.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C69 H24 B F35 Ge N4 O2 -","- C69 H24 B F35 Ge N4 O2 -","- C138 H48 B2 F70 Ge2 N8 O4 -","2","1","","Fang, Huayi; Jing, Huize; Zhang, Aixi; Ge, Haonan; Yao, Zhengmin; Brothers, Penelope J.; Fu, Xuefeng","Synthesis, Electronic Structure, and Reactivity Studies of a 4-Coordinate Square Planar Germanium(IV) Cation.","Journal of the American Chemical Society","2016","138","24","7705","7710","10.1021/jacs.6b03547","","","1.54178","CuKα","","0.1197","0.071","","","0.162","0.1975","","","","","","0.973","","","","has coordinates,has disorder","240871","2020-10-21","18:00:00",""
"4130439","21.5561","0.0008","19.0714","0.0008","17.2328","0.0008","90","","93.376","0.002","90","","7072.2","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H13 F15 Ge N4 -","- C43 H13 F15 Ge N4 -","- C344 H104 F120 Ge8 N32 -","8","1","","Fang, Huayi; Jing, Huize; Zhang, Aixi; Ge, Haonan; Yao, Zhengmin; Brothers, Penelope J.; Fu, Xuefeng","Synthesis, Electronic Structure, and Reactivity Studies of a 4-Coordinate Square Planar Germanium(IV) Cation.","Journal of the American Chemical Society","2016","138","24","7705","7710","10.1021/jacs.6b03547","","","0.71073","MoKα","","0.0652","0.0457","","","0.1067","0.1176","","","","","","1.047","","","","has coordinates","240872","2020-10-21","18:00:00",""
"4130440","15.204","0.003","10.0045","0.0016","24.937","0.004","90","","91.887","0.003","90","","3791.1","1.1","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H19 F15 Ge N4 -","- C46 H19 F15 Ge N4 -","- C184 H76 F60 Ge4 N16 -","4","1","","Fang, Huayi; Jing, Huize; Zhang, Aixi; Ge, Haonan; Yao, Zhengmin; Brothers, Penelope J.; Fu, Xuefeng","Synthesis, Electronic Structure, and Reactivity Studies of a 4-Coordinate Square Planar Germanium(IV) Cation.","Journal of the American Chemical Society","2016","138","24","7705","7710","10.1021/jacs.6b03547","","","0.71073","MoKα","","0.0473","0.0425","","","0.0935","0.0959","","","","","","1.142","","","","has coordinates","240873","2020-10-21","18:00:00",""
"4130441","12.331","0.0014","14.8171","0.0016","15.2967","0.0018","75.578","0.004","88.007","0.005","79.011","0.005","2656.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H35 F16 Ge N4 -","- C64 H35 F16 Ge N4 -","- C128 H70 F32 Ge2 N8 -","2","1","","Fang, Huayi; Jing, Huize; Zhang, Aixi; Ge, Haonan; Yao, Zhengmin; Brothers, Penelope J.; Fu, Xuefeng","Synthesis, Electronic Structure, and Reactivity Studies of a 4-Coordinate Square Planar Germanium(IV) Cation.","Journal of the American Chemical Society","2016","138","24","7705","7710","10.1021/jacs.6b03547","","","0.71073","MoKα","","0.0606","0.0545","","","0.1131","0.1174","","","","","","1.105","","","","has coordinates","240874","2020-10-21","18:00:00",""
"4130442","14.7965","0.0004","14.7965","0.0004","38.3211","0.001","90","","90","","120","","7265.9","0.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C85.82 H25.82 B12 Cl5.46 F60 O12.99 -","- C85.82 H25.82 B12 Cl5.46 F60 O12.994 -","- C257.46 H77.46 B36 Cl16.38 F180 O38.982 -","3","0.166667","","Messina, Marco S.; Axtell, Jonathan C.; Wang, Yiqun; Chong, Paul; Wixtrom, Alex I.; Kirlikovali, Kent O.; Upton, Brianna M.; Hunter, Bryan M.; Shafaat, Oliver S.; Khan, Saeed I.; Winkler, Jay R.; Gray, Harry B.; Alexandrova, Anastassia N.; Maynard, Heather D.; Spokoyny, Alexander M.","Visible-Light-Induced Olefin Activation Using 3D Aromatic Boron-Rich Cluster Photooxidants.","Journal of the American Chemical Society","2016","138","22","6952","6955","10.1021/jacs.6b03568","","","1.54178","CuKα","","0.0311","0.0304","","","0.0806","0.0811","","","","","","1.094","","","","has coordinates,has disorder","240875","2020-10-21","18:00:00",""
"4130443","8.4676","0.0018","9.549","0.002","15.57","0.003","90","","90","","90","","1258.9","0.4","290","","290","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C2 H5 N3 O4 P Zn0.5 -","- C2 H5 N3 O4 P Zn0.5 -","- C16 H40 N24 O32 P8 Zn4 -","8","1","","Inukai, Munehiro; Horike, Satoshi; Itakura, Tomoya; Shinozaki, Ryota; Ogiwara, Naoki; Umeyama, Daiki; Nagarkar, Sanjog S.; Nishiyama, Yusuke; Malon, Michal; Hayashi, Akari; Ohhara, Takashi; Kiyanagi, Ryoji; Kitagawa, Susumu","Encapsulating Mobile Proton Carriers into Structural Defects in Coordination Polymer Crystals: High Anhydrous Proton Conduction and Fuel Cell Application.","Journal of the American Chemical Society","2016","138","27","8505","8511","10.1021/jacs.6b03625","","","1","neutrons","","0.065","0.0636","","","0.1602","0.1613","","","","","","1.142","","","","has coordinates","240876","2020-10-21","18:00:00",""
"4130444","8.4676","0.0018","9.549","0.002","15.57","0.003","90","","90","","90","","1258.9","0.4","77","","77","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C2 H5 N3 O4 P Zn0.5 -","- C2 H5 N3 O4 P Zn0.5 -","- C16 H40 N24 O32 P8 Zn4 -","8","1","","Inukai, Munehiro; Horike, Satoshi; Itakura, Tomoya; Shinozaki, Ryota; Ogiwara, Naoki; Umeyama, Daiki; Nagarkar, Sanjog S.; Nishiyama, Yusuke; Malon, Michal; Hayashi, Akari; Ohhara, Takashi; Kiyanagi, Ryoji; Kitagawa, Susumu","Encapsulating Mobile Proton Carriers into Structural Defects in Coordination Polymer Crystals: High Anhydrous Proton Conduction and Fuel Cell Application.","Journal of the American Chemical Society","2016","138","27","8505","8511","10.1021/jacs.6b03625","","","1","neutrons","","0.0655","0.065","","","0.1513","0.1515","","","","","","1.077","","","","has coordinates","240877","2020-10-21","18:00:00",""
"4130445","15.982","0.005","16.075","0.005","28.684","0.01","90","","90","","90","","7369","4","291","2","291","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C31 H57 B2 Ir O6 P2 -","- C31 H57 B2 Ir O6 P2 -","- C248 H456 B16 Ir8 O48 P16 -","8","1","","Press, Loren P.; Kosanovich, Alex J.; McCulloch, Billy J.; Ozerov, Oleg V.","High-Turnover Aromatic C-H Borylation Catalyzed by POCOP-Type Pincer Complexes of Iridium.","Journal of the American Chemical Society","2016","138","30","9487","9497","10.1021/jacs.6b03656","","","0.71073","MoKα","","0.0644","0.0268","","","0.0539","0.0664","","","","","","1.001","","","","has coordinates,has disorder","240878","2020-10-21","18:00:00",""
"4130446","8.512","0.0019","20.125","0.004","18.462","0.004","90","","98.697","0.003","90","","3126.3","1.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H108 Cl2 Ir2 O4 P4 -","- C57 H106 Cl2 Ir2 O4 P4 -","- C114 H212 Cl4 Ir4 O8 P8 -","2","0.5","","Press, Loren P.; Kosanovich, Alex J.; McCulloch, Billy J.; Ozerov, Oleg V.","High-Turnover Aromatic C-H Borylation Catalyzed by POCOP-Type Pincer Complexes of Iridium.","Journal of the American Chemical Society","2016","138","30","9487","9497","10.1021/jacs.6b03656","","","0.71073","MoKα","","0.0418","0.0383","","","0.099","0.1013","","","","","","1.022","","","","has coordinates,has disorder","240878","2020-10-21","18:00:00",""
"4130447","19.124","0.005","7.909","0.002","24.508","0.007","90","","104.134","0.003","90","","3594.7","1.7","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H60 B Ir O4 P2 -","- C32 H60 B Ir O4 P2 -","- C128 H240 B4 Ir4 O16 P8 -","4","1","","Press, Loren P.; Kosanovich, Alex J.; McCulloch, Billy J.; Ozerov, Oleg V.","High-Turnover Aromatic C-H Borylation Catalyzed by POCOP-Type Pincer Complexes of Iridium.","Journal of the American Chemical Society","2016","138","30","9487","9497","10.1021/jacs.6b03656","","","0.71073","MoKα","","0.0352","0.0246","","","0.0502","0.0544","","","","","","1.043","","","","has coordinates","240878","2020-10-21","18:00:00",""
"4130448","18.8345","0.0007","18.8345","0.0007","18.8345","0.0007","90","","90","","90","","6681.3","0.4","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","Co-BDTriP-DMF","","","- C140 H140 Cl3 Co14.4 N76 O14.4 -","- C104.002 H56.0016 Cl3 Co14.4 N63.9984 O14.4 -","- C104.002 H56.0016 Cl3 Co14.4 N63.9984 O14.4 -","1","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.7749","synchrotron","","0.0503","0.0462","","","0.1537","0.159","","","","","","1.114","","","","has coordinates,has disorder","240879","2020-10-21","18:00:00",""
"4130449","18.7059","0.0004","18.7059","0.0004","18.7059","0.0004","90","","90","","90","","6545.4","0.2","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","Co-BDTriP-MeOH","","","- C100 H76 Cl3 Co13.5 N80 O12 -","- C99.984 H75.984 Cl3 Co12 N80.016 O12 -","- C99.984 H75.984 Cl3 Co12 N80.016 O12 -","1","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.71073","MoKα","","0.065","0.0593","","","0.169","0.1761","","","","","","1.078","","","","has coordinates,has disorder","240879","2020-10-21","18:00:00",""
"4130450","18.6522","0.0005","18.6522","0.0005","18.6522","0.0005","90","","90","","90","","6489.2","0.3","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","Co-BDTriP","","","- C109.02 H71.02 Cl3 Co13.44 N63.98 O5.04 -","- C104.016 H56.016 Cl3 Co13.44 N63.984 O5.04 -","- C104.016 H56.016 Cl3 Co13.44 N63.984 O5.04 -","1","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.71073","MoKα","","0.061","0.0463","","","0.1099","0.1233","","","","","","1.118","","","","has coordinates,has disorder","240879","2020-10-21","18:00:00",""
"4130451","18.6011","0.0007","18.6011","0.0007","18.6011","0.0007","90","","90","","90","","6436","0.4","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","Co-BDTriP-O2","","","- C87.98 H39.98 Cl3 Co13.5 N80.02 O23.62 -","- C87.984 H39.984 Cl3 Co12.912 N80.016 O23.616 -","- C87.984 H39.984 Cl3 Co12.912 N80.016 O23.616 -","1","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.71073","MoKα","","0.0701","0.0619","","","0.183","0.1918","","","","","","1.159","","","","has coordinates,has disorder","240879","2020-10-21","18:00:00",""
"4130452","37.4139","0.0016","37.4139","0.0016","37.4139","0.0016","90","","90","","90","","52372","4","100","2","100","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","Co-BTTri-DMF 100 K","","","- C264 H264 Cl6 Co24 N168 O24 -","- C216 H96 Cl6 Co24 N168 O24 -","- C864 H384 Cl24 Co96 N672 O96 -","4","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.7749","synchrotron","","0.0768","0.0671","","","0.1996","0.2164","","","","","","1.071","","","","has coordinates,has disorder","240880","2020-10-21","18:00:00",""
"4130453","37.7048","0.0013","37.7048","0.0013","37.7048","0.0013","90","","90","","90","","53603","3","298","2","298","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","Co-BTTri-DMF 298 K","","","- C264 H264 Cl6 Co24 N168 O24 -","- C216 H96 Cl6 Co24 N168 O24 -","- C864 H384 Cl24 Co96 N672 O96 -","4","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.7749","synchrotron","","0.0535","0.0481","","","0.1432","0.1506","","","","","","1.104","","","","has coordinates,has disorder","240880","2020-10-21","18:00:00",""
"4130454","18.794","0.0007","18.794","0.0007","18.794","0.0007","90","","90","","90","","6638.3","0.4","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","Co-BTTri-MeOH","","","- C108 H84 Cl3 Co13.5 N72 O12 -","- C108 H84 Cl3 Co12 N72 O12 -","- C108 H84 Cl3 Co12 N72 O12 -","1","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.8856","synchrotron","","0.0706","0.0638","","","0.1891","0.1996","","","","","","1.074","","","","has coordinates,has disorder","240880","2020-10-21","18:00:00",""
"4130455","37.0668","0.001","37.0668","0.001","37.0668","0.001","90","","90","","90","","50928","2","100","2","100","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","Co-BTTri","","","- C201 H123 Cl6 Co27.26 N144 O9 -","- C192 H96 Cl6 Co27.264 N144 O9 -","- C768 H384 Cl24 Co109.056 N576 O36 -","4","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.7749","synchrotron","","0.0418","0.0355","","","0.0966","0.1003","","","","","","1.082","","","","has coordinates,has disorder","240880","2020-10-21","18:00:00",""
"4130456","37.0728","0.0012","37.0728","0.0012","37.0728","0.0012","90","","90","","90","","50953","3","100","2","100","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","Co-BTTri-O2","","","- C192 H96 Cl6 Co27 N144 O48 -","- C192 H96 Cl6 Co24 N144 O48 -","- C768 H384 Cl24 Co96 N576 O192 -","4","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.7749","synchrotron","","0.0627","0.0557","","","0.157","0.1649","","","","","","1.088","","","","has coordinates,has disorder","240880","2020-10-21","18:00:00",""
"4130457","38.554","0.004","38.554","0.004","38.554","0.004","90","","90","","90","","57307","10","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","TPHN-MgMe","","- C0.99 H0.61 O0.2 Zr0.04 -","- C0.987342 H0.455696 O0.202532 Zr0.0379747 -","- C624 H288 O128 Zr24 -","632","3.29167","","Manna, Kuntal; Ji, Pengfei; Greene, Francis X.; Lin, Wenbin","Metal-Organic Framework Nodes Support Single-Site Magnesium-Alkyl Catalysts for Hydroboration and Hydroamination Reactions.","Journal of the American Chemical Society","2016","138","24","7488","7491","10.1021/jacs.6b03689","","","0.41328","","","0.15","0.1132","","","0.3252","0.3402","","","","","","1.258","","","","has coordinates","240881","2020-10-21","18:00:00",""
"4130458","8.0747","0.0006","16.5382","0.0011","10.1107","0.0007","90","","102.931","0.007","90","","1315.95","0.16","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 N2 -","- C30 H44 N2 -","- C60 H88 N4 -","2","0.5","","Sasaki, Shunsuke; Suzuki, Satoshi; Sameera, W. M. C.; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi","Highly Twisted N,N-Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores.","Journal of the American Chemical Society","2016","138","26","8194","8206","10.1021/jacs.6b03749","","","1.54187","CuKα","","0.0688","0.0517","","","0.1254","0.1458","","","","","","1","","","","has coordinates","240882","2020-10-21","18:00:00",""
"4130459","9.165","0.009","8.39","0.007","10.289","0.01","90","","114.241","0.012","90","","721.4","1.2","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 -","- C18 H20 N2 -","- C36 H40 N4 -","2","0.5","","Sasaki, Shunsuke; Suzuki, Satoshi; Sameera, W. M. C.; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi","Highly Twisted N,N-Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores.","Journal of the American Chemical Society","2016","138","26","8194","8206","10.1021/jacs.6b03749","","","0.71075","MoKα","","","0.0615","","","","0.189","","","","","","1","","","","has coordinates","240883","2020-10-21","18:00:00",""
"4130460","10.6665","0.0003","8.8035","0.0003","11.6426","0.0004","90","","98.268","0.007","90","","1081.91","0.06","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 N2 -","- C26 H36 N2 -","- C52 H72 N4 -","2","0.5","","Sasaki, Shunsuke; Suzuki, Satoshi; Sameera, W. M. C.; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi","Highly Twisted N,N-Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores.","Journal of the American Chemical Society","2016","138","26","8194","8206","10.1021/jacs.6b03749","","","1.54187","CuKα","","0.0654","0.0537","","","0.1474","0.1557","","","","","","1","","","","has coordinates","240884","2020-10-21","18:00:00",""
"4130461","7.388","0.002","7.625","0.002","9.047","0.003","101.595","0.006","103.106","0.005","99.662","0.004","473.9","0.2","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H28 N2 -","- C24 H28 N2 -","- C24 H28 N2 -","1","0.5","","Sasaki, Shunsuke; Suzuki, Satoshi; Sameera, W. M. C.; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi","Highly Twisted N,N-Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores.","Journal of the American Chemical Society","2016","138","26","8194","8206","10.1021/jacs.6b03749","","","0.71075","MoKα","","","0.0802","","","","0.2243","","","","","","1.054","","","","has coordinates","240885","2020-10-21","18:00:00",""
"4130462","7.5541","0.0013","7.9377","0.0015","9.1231","0.0015","102.214","0.013","102.818","0.012","96.828","0.013","513.38","0.16","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H32 N2 -","- C26 H32 N2 -","- C26 H32 N2 -","1","0.5","","Sasaki, Shunsuke; Suzuki, Satoshi; Sameera, W. M. C.; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi","Highly Twisted N,N-Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores.","Journal of the American Chemical Society","2016","138","26","8194","8206","10.1021/jacs.6b03749","","","1.54187","CuKα","","","0.0471","","","","0.1412","","","","","","1.002","","","","has coordinates","240886","2020-10-21","18:00:00",""
"4130463","38.445","0.004","13.0221","0.0014","13.658","0.0015","90","","90","","90","","6837.7","1.3","100","0.5","100","0.5","","","","","","","","7","P 21 21 2","P 2 2ab","18","neism18h","","","- C52 H116 Br0.25 Cl1.75 Fe8 Mg1.5 O10 -","- C52 H80 Br0.249 Cl1.751 Fe8 Mg1.5 O10 -","- C208 H320 Br0.996 Cl7.004 Fe32 Mg6 O40 -","4","1","","Muñoz Iii, Salvador B; Daifuku, Stephanie L.; Brennessel, William W.; Neidig, Michael L.","Isolation, Characterization, and Reactivity of Fe8Me12(-): Kochi's S = 1/2 Species in Iron-Catalyzed Cross-Couplings with MeMgBr and Ferric Salts.","Journal of the American Chemical Society","2016","138","24","7492","7495","10.1021/jacs.6b03760","","","0.71073","MoKα","","0.0715","0.0551","","","0.1451","0.156","","","","","","1.028","","","","has coordinates,has disorder","240887","2020-10-21","18:00:00",""
"4130464","10.1461","0.0008","13.3816","0.0011","18.3452","0.0014","95.62","0.003","94.475","0.003","104.537","0.003","2385.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.26 H55.51 Cl8.51 N4 P Ru -","- C41.253 H55.506 Cl8.506 N4 P Ru -","- C82.506 H111.012 Cl17.012 N8 P2 Ru2 -","2","1","","Lee, Juneyoung; Grandner, Jessica M.; Engle, Keary M.; Houk, K. N.; Grubbs, Robert H.","In Situ Catalyst Modification in Atom Transfer Radical Reactions with Ruthenium Benzylidene Complexes.","Journal of the American Chemical Society","2016","138","22","7171","7177","10.1021/jacs.6b03767","","","0.71073","MoKα","","0.0807","0.0597","","","0.1609","0.1749","","","","","","1.047","","","","has coordinates,has disorder","240888","2020-10-21","18:00:00",""
"4130465","9.7563","0.0013","12.9792","0.0017","17.373","0.002","87.744","0.002","73.849","0.002","81.576","0.002","2090.3","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H7 N9 O8 -","- C4 H7 N9 O8 -","- C32 H56 N72 O64 -","8","4","","Zhang, Jiaheng; Dharavath, Srinivas; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic Salts Based on 3,5-Bis(dinitromethyl)-1,2,4-triazole Monoanion and Dianion: Controllable Preparation, Characterization, and High Performance.","Journal of the American Chemical Society","2016","138","24","7500","7503","10.1021/jacs.6b03819","","","0.71073","MoKα","","0.1033","0.0496","","","0.1032","0.1252","","","","","","1.013","","","","has coordinates","240889","2020-10-21","18:00:00",""
"4130466","19.255","0.003","8.1379","0.0013","7.8604","0.0013","90","","90","","90","","1231.7","0.3","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C4 H11 N9 O9 -","- C4 H11 N9 O9 -","- C16 H44 N36 O36 -","4","1","","Zhang, Jiaheng; Dharavath, Srinivas; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic Salts Based on 3,5-Bis(dinitromethyl)-1,2,4-triazole Monoanion and Dianion: Controllable Preparation, Characterization, and High Performance.","Journal of the American Chemical Society","2016","138","24","7500","7503","10.1021/jacs.6b03819","","","0.71073","MoKα","","0.0271","0.0256","","","0.074","0.0769","","","","","","1.106","","","","has coordinates","240890","2020-10-21","18:00:00",""
"4130467","4.7794","0.0009","16.946","0.003","12.51","0.002","90","","99.82","0.003","90","","998.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N8 O8 -","- C4 H6 N8 O8 -","- C16 H24 N32 O32 -","4","1","","Zhang, Jiaheng; Dharavath, Srinivas; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic Salts Based on 3,5-Bis(dinitromethyl)-1,2,4-triazole Monoanion and Dianion: Controllable Preparation, Characterization, and High Performance.","Journal of the American Chemical Society","2016","138","24","7500","7503","10.1021/jacs.6b03819","","","0.71073","MoKα","","0.157","0.0619","","","0.1019","0.1305","","","","","","1.003","","","","has coordinates","240891","2020-10-21","18:00:00",""
"4130468","16.0535","0.0008","23.8893","0.0011","17.5951","0.0008","90","","103.224","0.0013","90","","6568.9","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C133 H98 Au6 Cl6 P6 S -","- C133 H98 Au6 Cl6 P6 S -","- C266 H196 Au12 Cl12 P12 S2 -","2","1","","Yao, Liao-Yuan; Lee, Terence Kwok-Ming; Yam, Vivian Wing-Wah","Thermodynamic-Driven Self-Assembly: Heterochiral Self-Sorting and Structural Reconfiguration in Gold(I)-Sulfido Cluster System.","Journal of the American Chemical Society","2016","138","23","7260","7263","10.1021/jacs.6b03844","","","0.71073","MoKα","","0.0285","0.0247","","","0.054","0.0552","","","","","","1.115","","","","has coordinates,has disorder","240892","2020-10-21","18:00:00",""
"4130469","23.5737","0.0013","23.5737","0.0013","29.204","0.0017","90","","90","","90","","16229.2","1.6","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C176 H128 Au10 Cl2 P8 S4 -","- C176 H128 Au10 Cl2 P8 S4 -","- C704 H512 Au40 Cl8 P32 S16 -","4","0.5","","Yao, Liao-Yuan; Lee, Terence Kwok-Ming; Yam, Vivian Wing-Wah","Thermodynamic-Driven Self-Assembly: Heterochiral Self-Sorting and Structural Reconfiguration in Gold(I)-Sulfido Cluster System.","Journal of the American Chemical Society","2016","138","23","7260","7263","10.1021/jacs.6b03844","","","0.71073","MoKα","","0.0776","0.0638","","","0.1584","0.1724","","","","","","1.103","","","","has coordinates","240893","2020-10-21","18:00:00",""
"4130470","16.599","0.006","21.904","0.008","24.856","0.01","90","","96.827","0.007","90","","8973","6","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C177 H130 Au10 Cl4 P8 S4 -","- C177 H130 Au10 Cl4 P8 S4 -","- C354 H260 Au20 Cl8 P16 S8 -","2","1","","Yao, Liao-Yuan; Lee, Terence Kwok-Ming; Yam, Vivian Wing-Wah","Thermodynamic-Driven Self-Assembly: Heterochiral Self-Sorting and Structural Reconfiguration in Gold(I)-Sulfido Cluster System.","Journal of the American Chemical Society","2016","138","23","7260","7263","10.1021/jacs.6b03844","","","0.71073","MoKα","","0.1209","0.1074","","","0.2552","0.2646","","","","","","1.022","","","","has coordinates,has disorder","240894","2020-10-21","18:00:00",""
"4130471","16.0034","0.0011","23.9493","0.0016","17.4176","0.0012","90","","103.649","0.002","90","","6487.1","0.8","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C134 H102 Au6 Cl6 O P6 S -","- C134 H102 Au6 Cl6 O P6 S -","- C268 H204 Au12 Cl12 O2 P12 S2 -","2","1","","Yao, Liao-Yuan; Lee, Terence Kwok-Ming; Yam, Vivian Wing-Wah","Thermodynamic-Driven Self-Assembly: Heterochiral Self-Sorting and Structural Reconfiguration in Gold(I)-Sulfido Cluster System.","Journal of the American Chemical Society","2016","138","23","7260","7263","10.1021/jacs.6b03844","","","0.71073","MoKα","","0.0369","0.0298","","","0.0585","0.0603","","","","","","1.038","","","","has coordinates","240895","2020-10-21","18:00:00",""
"4130472","16.694","0.003","21.993","0.004","24.942","0.005","90","","96.59","0.03","90","","9097","3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C177 H130 Au10 Cl4 P8 S4 -","- C177 H130 Au10 Cl4 P8 S4 -","- C354 H260 Au20 Cl8 P16 S8 -","2","1","","Yao, Liao-Yuan; Lee, Terence Kwok-Ming; Yam, Vivian Wing-Wah","Thermodynamic-Driven Self-Assembly: Heterochiral Self-Sorting and Structural Reconfiguration in Gold(I)-Sulfido Cluster System.","Journal of the American Chemical Society","2016","138","23","7260","7263","10.1021/jacs.6b03844","","","0.71073","MoKα","","0.1004","0.0909","","","0.2055","0.2107","","","","","","1.035","","","","has coordinates","240896","2020-10-21","18:00:00",""
"4130473","40.9008","0.0015","40.9008","0.0015","40.9008","0.0015","90","","90","","90","","68422","4","100","2","100","2","","","","","","","","8","F 4 3 2","F 4 2 3","209","","","","- C328 H234 F48 Mo12 N48 O105 S16 Zn8 -","- C312 H216 Mo12 N48 O57 Zn8 -","- C1248 H864 Mo48 N192 O228 Zn32 -","4","0.0416667","","Ramsay, William J.; Rizzuto, Felix J.; Ronson, Tanya K.; Caprice, Kenji; Nitschke, Jonathan R.","Subtle Ligand Modification Inverts Guest Binding Hierarchy in M(II)8L6 Supramolecular Cubes.","Journal of the American Chemical Society","2016","138","23","7264","7267","10.1021/jacs.6b03858","","","0.6889","synchrotron","","0.1586","0.1358","","","0.3741","0.3893","","","","","","1.338","","","","has coordinates","240897","2020-10-21","18:00:00",""
"4130474","28.1822","0.0015","28.6098","0.0015","38.033","0.002","72.136","0.003","72.82","0.002","66.502","0.002","26235","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C384 H286 F72 Fe8 Mo12 N75 O100.5 S32 -","- C381.05 H270.35 F62.9 Fe8 Mo12 N74.9999 O91.65 S13.3 -","- C762.1 H540.699 F125.8 Fe16 Mo24 N150 O183.3 S26.6 -","2","1","","Ramsay, William J.; Rizzuto, Felix J.; Ronson, Tanya K.; Caprice, Kenji; Nitschke, Jonathan R.","Subtle Ligand Modification Inverts Guest Binding Hierarchy in M(II)8L6 Supramolecular Cubes.","Journal of the American Chemical Society","2016","138","23","7264","7267","10.1021/jacs.6b03858","","","0.6889","synchrotron","","0.1243","0.0958","","","0.2894","0.3219","","","","","","1.239","","","","has coordinates,has disorder","240898","2020-10-21","18:00:00",""
"4130475","5.1684","0.0001","17.27","0.0004","36.9053","0.0008","90","","90","","90","","3294.1","0.12","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O2 -","- C19 H30 O2 -","- C152 H240 O16 -","8","2","","Lu, Hai-Hua; Pronin, Sergey V.; Antonova-Koch, Yevgeniya; Meister, Stephan; Winzeler, Elizabeth A.; Shenvi, Ryan A.","Synthesis of (+)-7,20-Diisocyanoadociane and Liver-Stage Antiplasmodial Activity of the Isocyanoterpene Class.","Journal of the American Chemical Society","2016","138","23","7268","7271","10.1021/jacs.6b03899","","x-ray","1.54178","CuKα","","0.0334","0.0323","","","0.0884","0.0892","","","","","","1.051","","","","has coordinates","240899","2020-10-21","18:00:00",""
"4130476","13.7509","0.0013","13.7509","0.0013","10.8608","0.0014","90","","90","","120","","1778.5","0.3","293","2","293","2","","","","","","","","5","P 32","P 32","145","","","","- C24 H28 N2 O4 S -","- C24 H28 N2 O4 S -","- C72 H84 N6 O12 S3 -","3","1","","Liu, Yong Ethan; Lu, Zhaole; Li, Bo; Tian, Jiaxin; Liu, Feng; Zhao, Junyu; Hou, Chengkang; Li, Yingkun; Niu, Lili; Zhao, Baoguo","Enzyme-Inspired Axially Chiral Pyridoxamines Armed with a Cooperative Lateral Amine Chain for Enantioselective Biomimetic Transamination.","Journal of the American Chemical Society","2016","138","34","10730","10733","10.1021/jacs.6b03930","","","0.71073","MoKα","","0.0688","0.0539","","","0.1231","0.1318","","","","","","1.043","","","","has coordinates","240900","2020-10-21","18:00:00",""
"4130477","12.3918","0.0006","23.9814","0.0012","18.4258","0.0009","90","","95.529","0.001","90","","5450.2","0.5","183","2","183","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C107 La2 S6 -","- C107 La2 S6 -","- C428 La8 S24 -","4","1","","Cai, Wenting; Li, Fang-Fang; Bao, Lipiao; Xie, Yunpeng; Lu, Xing","Isolation and Crystallographic Characterization of La2C2@Cs(574)-C102 and La2C2@C2(816)-C104: Evidence for the Top-Down Formation Mechanism of Fullerenes.","Journal of the American Chemical Society","2016","138","20","6670","6675","10.1021/jacs.6b03934","","","0.71073","MoKα","","0.1576","0.1323","","","0.3895","0.4123","","","","","","3.3","","","","has coordinates,has disorder","240901","2020-10-21","18:00:00",""
"4130478","24.2162","0.0009","18.0709","0.0007","12.735","0.0005","90","","90","","90","","5572.9","0.4","183","2","183","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C109 H0 La2 N0 Ni0 S6 -","- C109 La2 S6 -","- C436 La8 S24 -","4","0.5","","Cai, Wenting; Li, Fang-Fang; Bao, Lipiao; Xie, Yunpeng; Lu, Xing","Isolation and Crystallographic Characterization of La2C2@Cs(574)-C102 and La2C2@C2(816)-C104: Evidence for the Top-Down Formation Mechanism of Fullerenes.","Journal of the American Chemical Society","2016","138","20","6670","6675","10.1021/jacs.6b03934","","","0.71073","MoKα","","0.1061","0.0794","","","0.2521","0.2801","","","","","","1.156","","","","has coordinates,has disorder","240902","2020-10-21","18:00:00",""
"4130479","40.5861","0.0007","9.6009","0.0002","18.7564","0.0013","90","","100.373","0.007","90","","7189.2","0.6","85","2","85","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H35 B N5 O2 P Ru -","- C44 H35 B N5 O2 P Ru -","- C352 H280 B8 N40 O16 P8 Ru8 -","8","1","","Tseng, Kuei-Nin T; Kampf, Jeff W.; Szymczak, Nathaniel K.","Modular Attachment of Appended Boron Lewis Acids to a Ruthenium Pincer Catalyst: Metal-Ligand Cooperativity Enables Selective Alkyne Hydrogenation.","Journal of the American Chemical Society","2016","138","33","10378","10381","10.1021/jacs.6b03972","","","1.54178","CuKα","","0.0544","0.052","","","0.1503","0.1538","","","","","","1.127","","","","has coordinates","240903","2020-10-21","18:00:00",""
"4130480","20.8335","0.0003","12.5143","0.0001","39.2291","0.0006","90","","90","","90","","10227.7","0.2","85","2","85","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C59 H61 B2 N5 O4 P Ru -","- C59 H61 B2 N5 O4 P Ru -","- C472 H488 B16 N40 O32 P8 Ru8 -","8","2","","Tseng, Kuei-Nin T; Kampf, Jeff W.; Szymczak, Nathaniel K.","Modular Attachment of Appended Boron Lewis Acids to a Ruthenium Pincer Catalyst: Metal-Ligand Cooperativity Enables Selective Alkyne Hydrogenation.","Journal of the American Chemical Society","2016","138","33","10378","10381","10.1021/jacs.6b03972","","","1.54178","CuKα","","0.0739","0.0697","","","0.1875","0.1906","","","","","","1.044","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4130481","18.234","0.0013","12.0654","0.0002","18.1135","0.0013","90","","90.69","0.006","90","","3984.7","0.4","85","2","85","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C49 H46 B N5 P Ru -","- C49 H46 B N5 P Ru -","- C196 H184 B4 N20 P4 Ru4 -","4","1","","Tseng, Kuei-Nin T; Kampf, Jeff W.; Szymczak, Nathaniel K.","Modular Attachment of Appended Boron Lewis Acids to a Ruthenium Pincer Catalyst: Metal-Ligand Cooperativity Enables Selective Alkyne Hydrogenation.","Journal of the American Chemical Society","2016","138","33","10378","10381","10.1021/jacs.6b03972","","","1.54178","CuKα","","0.0388","0.0387","","","0.1035","0.1036","","","","","","1.059","","","","has coordinates","240903","2020-10-21","18:00:00",""
"4130482","11.564","0.003","12.7724","0.0002","27.0595","0.0019","90","","101.252","0.011","90","","3919.9","1.1","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H45 B N5 O P Ru -","- C47 H45 B N5 O P Ru -","- C188 H180 B4 N20 O4 P4 Ru4 -","4","1","","Tseng, Kuei-Nin T; Kampf, Jeff W.; Szymczak, Nathaniel K.","Modular Attachment of Appended Boron Lewis Acids to a Ruthenium Pincer Catalyst: Metal-Ligand Cooperativity Enables Selective Alkyne Hydrogenation.","Journal of the American Chemical Society","2016","138","33","10378","10381","10.1021/jacs.6b03972","","","1.54178","CuKα","","0.0554","0.0516","","","0.1452","0.1481","","","","","","1.153","","","","has coordinates","240903","2020-10-21","18:00:00",""
"4130483","26.3946","0.0014","11.3169","0.0006","21.4863","0.0012","90","","115.327","0.001","90","","5801.2","0.5","102","2","102","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 O2 Si2 -","- C32 H38 O2 Si2 -","- C256 H304 O16 Si16 -","8","1","","Hua, Yuanda; Asgari, Parham; Avullala, Thirupataiah; Jeon, Junha","Catalytic Reductive ortho-C-H Silylation of Phenols with Traceless, Versatile Acetal Directing Groups and Synthetic Applications of Dioxasilines.","Journal of the American Chemical Society","2016","138","25","7982","7991","10.1021/jacs.6b04018","","","0.71073","MoKα","","0.0517","0.0433","","","0.1609","0.1751","","","","","","1.037","","","","has coordinates","240904","2020-10-21","18:00:00",""
"4130484","20.9653","0.0006","15.2285","0.0004","14.6886","0.0004","90","","90","","90","","4689.6","0.2","90","","90","","","","","","","","","4","P n m a","-P 2ac 2n","62","Ce@C82-CH2(C6H3Me2)-1d/CS2","","","- C92 H11 Ce S2 -","- C92 H11 Ce S2 -","- C368 H44 Ce4 S8 -","4","0.5","","Takano, Yuta; Tashita, Ryo; Suzuki, Mitsuaki; Nagase, Shigeru; Imahori, Hiroshi; Akasaka, Takeshi","Molecular Location Sensing Approach by Anisotropic Magnetism of an Endohedral Metallofullerene.","Journal of the American Chemical Society","2016","138","25","8000","8006","10.1021/jacs.6b04037","","","0.71073","MoKα","","0.1113","0.0986","","","0.266","0.2772","","","","","","1.097","","","","has coordinates,has disorder","240905","2020-10-21","18:00:00",""
"4130485","14.9929","0.0003","9.6072","0.0002","24.7958","0.0005","90","","98.369","0.001","90","","3533.55","0.12","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Co(14TMC)(NO3)(BPh4)","","","- C38 H52 B Co N5 O3 -","- C38 H52 B Co N5 O3 -","- C152 H208 B4 Co4 N20 O12 -","4","1","","Kumar, Pankaj; Lee, Yong-Min; Hu, Lianrui; Chen, Jianwei; Park, Young Jun; Yao, Jiannian; Chen, Hui; Karlin, Kenneth D.; Nam, Wonwoo","Factors That Control the Reactivity of Cobalt(III)-Nitrosyl Complexes in Nitric Oxide Transfer and Dioxygenation Reactions: A Combined Experimental and Theoretical Investigation.","Journal of the American Chemical Society","2016","138","24","7753","7762","10.1021/jacs.6b04040","","","0.71073","MoKα","","0.0333","0.0295","","","0.0722","0.0741","","","","","","1.048","","","","has coordinates","240906","2020-10-21","18:00:00",""
"4130486","11.4134","0.0015","20.663","0.003","15.422","0.002","90","","102.95","0.008","90","","3544.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 B F10 O2 P -","- C39 H34 B F10 O2 P -","- C156 H136 B4 F40 O8 P4 -","4","1","","Chen, Guo-Qiang; Kehr, Gerald; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Erker, Gerhard","Phospha-Claisen Type Reactions at Frustrated Lewis Pair Frameworks.","Journal of the American Chemical Society","2016","138","27","8554","8559","10.1021/jacs.6b04046","","","1.54178","CuKα","","0.0865","0.0524","","","0.1228","0.1391","","","","","","1.065","","","","has coordinates","240907","2020-10-21","18:00:00",""
"4130487","11.365","0.0005","14.8236","0.0007","16.1305","0.0007","65.606","0.002","70.053","0.002","77.352","0.002","2316.74","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H36 B F10 O4 P -","- C41 H36 B F10 O4 P -","- C82 H72 B2 F20 O8 P2 -","2","1","","Chen, Guo-Qiang; Kehr, Gerald; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Erker, Gerhard","Phospha-Claisen Type Reactions at Frustrated Lewis Pair Frameworks.","Journal of the American Chemical Society","2016","138","27","8554","8559","10.1021/jacs.6b04046","","","0.71073","MoKα","","0.0852","0.0572","","","0.1518","0.1648","","","","","","1.048","","","","has coordinates","240907","2020-10-21","18:00:00",""
"4130488","9.1467","0.0002","14.6625","0.0003","14.7129","0.0004","90.266","0.001","102.873","0.001","107.489","0.001","1829.24","0.08","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H34 B F10 O P -","- C31 H34 B F10 O P -","- C62 H68 B2 F20 O2 P2 -","2","1","","Chen, Guo-Qiang; Kehr, Gerald; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Erker, Gerhard","Phospha-Claisen Type Reactions at Frustrated Lewis Pair Frameworks.","Journal of the American Chemical Society","2016","138","27","8554","8559","10.1021/jacs.6b04046","","","0.71073","MoKα","","0.1153","0.0863","","","0.2207","0.2398","","","","","","1.073","","","","has coordinates","240907","2020-10-21","18:00:00",""
"4130489","12.1821","0.0002","18.7258","0.0003","14.2778","0.0002","90","","105.022","0.001","90","","3145.74","0.09","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 B F10 O4 P -","- C31 H32 B F10 O4 P -","- C124 H128 B4 F40 O16 P4 -","4","1","","Chen, Guo-Qiang; Kehr, Gerald; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Erker, Gerhard","Phospha-Claisen Type Reactions at Frustrated Lewis Pair Frameworks.","Journal of the American Chemical Society","2016","138","27","8554","8559","10.1021/jacs.6b04046","","","0.71073","MoKα","","0.0558","0.0481","","","0.1085","0.1153","","","","","","1.039","","","","has coordinates","240907","2020-10-21","18:00:00",""
"4130490","10.3933","0.0002","11.7676","0.0002","14.8634","0.0004","104.124","0.001","101.199","0.001","111.497","0.001","1557.12","0.06","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H26 B F10 O P -","- C35 H26 B F10 O P -","- C70 H52 B2 F20 O2 P2 -","2","1","","Chen, Guo-Qiang; Kehr, Gerald; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Erker, Gerhard","Phospha-Claisen Type Reactions at Frustrated Lewis Pair Frameworks.","Journal of the American Chemical Society","2016","138","27","8554","8559","10.1021/jacs.6b04046","","","0.71073","MoKα","","0.0701","0.0579","","","0.1125","0.1217","","","","","","1.083","","","","has coordinates","240907","2020-10-21","18:00:00",""
"4130491","18.4966","0.0004","13.0377","0.0003","19.9791","0.0005","90","","90","","90","","4818.02","0.19","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","octakis(trimethylstibine)tetrapalladium(0)","","- C24 H72 Pd4 Sb8 -","- C24 H72 Pd4 Sb8 -","- C96 H288 Pd16 Sb32 -","4","0.5","","Benjamin, Sophie L.; Krämer, Tobias; Levason, William; Light, Mark E.; Macgregor, Stuart A.; Reid, Gillian","[Pd4(μ3-SbMe3)4(SbMe3)4]: A Pd(0) Tetrahedron with μ3-Bridging Trimethylantimony Ligands.","Journal of the American Chemical Society","2016","138","22","6964","6967","10.1021/jacs.6b04060","","x-ray","0.71073","MoKα","","0.0268","0.0246","","","0.0466","0.0474","","","","","","1.01","","","","has coordinates,has disorder","240908","2020-10-21","18:00:00",""
"4130492","9.6504","0.0004","10.0441","0.0003","13.2924","0.0005","90","","103.761","0.004","90","","1251.44","0.08","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(dimethylchlorostibine)dichloridoplalladium(II)","","- C8 H24 Cl8 Pd2 Sb4 -","- C8 H24 Cl8 Pd2 Sb4 -","- C16 H48 Cl16 Pd4 Sb8 -","2","0.5","","Benjamin, Sophie L.; Krämer, Tobias; Levason, William; Light, Mark E.; Macgregor, Stuart A.; Reid, Gillian","[Pd4(μ3-SbMe3)4(SbMe3)4]: A Pd(0) Tetrahedron with μ3-Bridging Trimethylantimony Ligands.","Journal of the American Chemical Society","2016","138","22","6964","6967","10.1021/jacs.6b04060","","x-ray","0.71073","MoKα","","0.0238","0.0181","","","0.0357","0.037","","","","","","1.033","","","","has coordinates","240909","2020-10-21","18:00:00",""
"4130493","5.5248","0.001","15.134","0.003","26.429","0.005","90","","95.927","0.008","90","","2198","0.7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(Phenethylamino)-1-(pyrrolidin-1-yl)nonan-1-one","","- C21 H35 I N2 O -","- C21 H35 I N2 O -","- C84 H140 I4 N8 O4 -","4","1","","Tona, Veronica; de la Torre, Aurélien; Padmanaban, Mohan; Ruider, Stefan; González, Leticia; Maulide, Nuno","Chemo- and Stereoselective Transition-Metal-Free Amination of Amides with Azides.","Journal of the American Chemical Society","2016","138","27","8348","8351","10.1021/jacs.6b04061","","","1.54178","CuKα","","0.0687","0.0637","","","0.1567","0.1595","","","","","","1.126","","","","has coordinates,has disorder","240910","2020-10-21","18:00:00",""
"4130494","12.3584","0.001","13.1989","0.001","16.1664","0.0012","67.422","0.003","72.456","0.004","78.457","0.003","2311","0.3","130","","130","","","","","","","","","7","P -1","-P 1","2","","1-(5-Methoxy-6-phenethyl-8-oxa-6-azabicyclo[3.2.1] octan-7-ylidene)pyrrolidin-1-ium trifluoromethanesulfonate","","- C20.5 H28 Cl F3 N2 O5 S -","- C20.5 H28 Cl F3 N2 O5 S -","- C82 H112 Cl4 F12 N8 O20 S4 -","4","2","","Tona, Veronica; de la Torre, Aurélien; Padmanaban, Mohan; Ruider, Stefan; González, Leticia; Maulide, Nuno","Chemo- and Stereoselective Transition-Metal-Free Amination of Amides with Azides.","Journal of the American Chemical Society","2016","138","27","8348","8351","10.1021/jacs.6b04061","","","0.71073","MoKα","","0.0731","0.0446","","","0.1111","0.125","","","","","","1.035","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4130495","12.4064","0.0006","13.3489","0.0007","20.4516","0.001","90","","90","","90","","3387","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 Cl10 N3 O2 S -","- C23 H33 Cl10 N3 O2 S -","- C92 H132 Cl40 N12 O8 S4 -","4","1","","Lathrop, Stephen P.; Pompeo, Matthew; Chang, Wen-Tau T; Movassaghi, Mohammad","Convergent and Biomimetic Enantioselective Total Synthesis of (-)-Communesin F.","Journal of the American Chemical Society","2016","138","24","7763","7769","10.1021/jacs.6b04072","","","0.71073","MoKα","","0.0325","0.027","","","0.0594","0.0617","","","","","","1.041","","","","has coordinates","240912","2020-10-21","18:00:00",""
"4130496","14.5823","0.001","16.3674","0.0012","17.4983","0.0012","90","","90","","90","","4176.4","0.5","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br F3 N2 O -","- C21 H22 Br F3 N2 O -","- C168 H176 Br8 F24 N16 O8 -","8","2","","Lin, Jin-Shun; Dong, Xiao-Yang; Li, Tao-Tao; Jiang, Na-Chuan; Tan, Bin; Liu, Xin-Yuan","A Dual-Catalytic Strategy To Direct Asymmetric Radical Aminotrifluoromethylation of Alkenes.","Journal of the American Chemical Society","2016","138","30","9357","9360","10.1021/jacs.6b04077","","","1.54178","CuKα","","0.0221","0.022","","","0.0583","0.0585","","","","","","1.063","","","","has coordinates","240913","2020-10-21","18:00:00",""
"4130497","13.84","0.003","26.967","0.005","14.534","0.003","90","","95.3","0.03","90","","5401.2","1.9","123","2","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C119 H152 P4 -","- C119 H152 P4 -","- C238 H304 P8 -","2","0.5","","Tan, Gengwen; Li, Shuyu; Chen, Sheng; Sui, Yunxia; Zhao, Yue; Wang, Xinping","Isolable Diphosphorus-Centered Radical Anion and Diradical Dianion.","Journal of the American Chemical Society","2016","138","21","6735","6738","10.1021/jacs.6b04081","","","0.71073","MoKα","","0.1407","0.0935","","","0.2463","0.2787","","","","","","1.034","","","","has coordinates","240915","2020-10-21","18:00:00",""
"4130498","30.27","0.006","9.006","0.0018","17.97","0.004","90","","102.24","0.03","90","","4787.5","1.8","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C56 H68 P2 -","- C56 H68 P2 -","- C224 H272 P8 -","4","0.5","","Tan, Gengwen; Li, Shuyu; Chen, Sheng; Sui, Yunxia; Zhao, Yue; Wang, Xinping","Isolable Diphosphorus-Centered Radical Anion and Diradical Dianion.","Journal of the American Chemical Society","2016","138","21","6735","6738","10.1021/jacs.6b04081","","","0.71073","MoKα","","0.0912","0.0582","","","0.1262","0.1406","","","","","","1.055","","","","has coordinates","240915","2020-10-21","18:00:00",""
"4130499","13.392","0.003","17.887","0.004","15.88","0.003","90","","107.74","0.03","90","","3623.1","1.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H108 K O8 P2 -","- C76 H108 K O8 P2 -","- C152 H216 K2 O16 P4 -","2","0.5","","Tan, Gengwen; Li, Shuyu; Chen, Sheng; Sui, Yunxia; Zhao, Yue; Wang, Xinping","Isolable Diphosphorus-Centered Radical Anion and Diradical Dianion.","Journal of the American Chemical Society","2016","138","21","6735","6738","10.1021/jacs.6b04081","","","0.71073","MoKα","","0.2061","0.0883","","","0.1865","0.2356","","","","","","1.013","","","","has coordinates,has disorder","240915","2020-10-21","18:00:00",""
"4130500","13.4139","0.0007","13.5562","0.0007","17.2567","0.0009","102.92","0.0015","104.846","0.0014","96.8203","0.0014","2904.4","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C112 H180 K2 O20 P2 -","- C112 H180 K2 O20 P2 -","- C112 H180 K2 O20 P2 -","1","0.5","","Tan, Gengwen; Li, Shuyu; Chen, Sheng; Sui, Yunxia; Zhao, Yue; Wang, Xinping","Isolable Diphosphorus-Centered Radical Anion and Diradical Dianion.","Journal of the American Chemical Society","2016","138","21","6735","6738","10.1021/jacs.6b04081","","","0.71073","MoKα","","0.0784","0.0576","","","0.1495","0.1601","","","","","","1.092","","","","has coordinates","240915","2020-10-21","18:00:00",""
"4130501","7.5167","0.0017","11.505","0.003","26.098","0.007","90","","90","","90","","2256.9","1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 O2 -","- C11 H20 O2 -","- C88 H160 O16 -","8","2","","Börjesson, Marino; Moragas, Toni; Martin, Ruben","Ni-Catalyzed Carboxylation of Unactivated Alkyl Chlorides with CO2.","Journal of the American Chemical Society","2016","138","24","7504","7507","10.1021/jacs.6b04088","","","0.71073","MoKα","","0.1221","0.0964","","","0.2468","0.2614","","","","","","1.138","","","","has coordinates","240916","2020-10-21","18:00:00",""
"4130502","10.9724","0.0005","13.0726","0.0006","13.9127","0.0007","86.6707","0.0013","70.5014","0.0012","82.1667","0.0012","1863.44","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H56 N4 Ni -","- C44 H56 N4 Ni -","- C88 H112 N8 Ni2 -","2","1","","Börjesson, Marino; Moragas, Toni; Martin, Ruben","Ni-Catalyzed Carboxylation of Unactivated Alkyl Chlorides with CO2.","Journal of the American Chemical Society","2016","138","24","7504","7507","10.1021/jacs.6b04088","","","0.71073","MoKα","","0.046","0.0384","","","0.1","0.1057","","","","","","1.038","","","","has coordinates,has disorder","240917","2020-10-21","18:00:00",""
"4130503","11.6943","0.0013","12.7969","0.0015","15.8831","0.0015","94.849","0.004","98.732","0.004","113.293","0.004","2130.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H56 F3 N4 Ni O3 S -","- C45 H56 F3 N4 Ni O3 S -","- C90 H112 F6 N8 Ni2 O6 S2 -","2","1","","Börjesson, Marino; Moragas, Toni; Martin, Ruben","Ni-Catalyzed Carboxylation of Unactivated Alkyl Chlorides with CO2.","Journal of the American Chemical Society","2016","138","24","7504","7507","10.1021/jacs.6b04088","","","0.71073","MoKα","","0.1319","0.0794","","","0.1965","0.2254","","","","","","1.057","","","","has coordinates,has disorder","240918","2020-10-21","18:00:00",""
"4130504","11.91","0.002","17.013","0.003","14.078","0.002","90","","109.423","0.005","90","","2690.2","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H45 B Cl N P Rh -","- C25 H45 B Cl N P Rh -","- C100 H180 B4 Cl4 N4 P4 Rh4 -","4","1","","Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger","Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.","Journal of the American Chemical Society","2016","138","26","8212","8220","10.1021/jacs.6b04128","","","0.71073","MoKα","","0.0192","0.0179","","","0.0471","0.048","","","","","","1.037","","","","has coordinates","240919","2020-10-21","18:00:00",""
"4130505","5.863","0.0007","14.7829","0.0018","19.258","0.002","104.809","0.004","94.491","0.004","90.355","0.004","1608.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 B N -","- C18 H26 B N -","- C72 H104 B4 N4 -","4","2","","Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger","Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.","Journal of the American Chemical Society","2016","138","26","8212","8220","10.1021/jacs.6b04128","","","0.71073","MoKα","","0.0578","0.0449","","","0.118","0.1267","","","","","","1.04","","","","has coordinates","240919","2020-10-21","18:00:00",""
"4130506","9.8819","0.0005","10.5352","0.0006","10.9353","0.0006","99.896","0.002","111.336","0.002","107.565","0.002","958.78","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 B Fe N -","- C22 H30 B Fe N -","- C44 H60 B2 Fe2 N2 -","2","1","","Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger","Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.","Journal of the American Chemical Society","2016","138","26","8212","8220","10.1021/jacs.6b04128","","","0.71073","MoKα","","0.0288","0.0257","","","0.0676","0.0698","","","","","","1.029","","","","has coordinates","240919","2020-10-21","18:00:00",""
"4130507","10.05","0.002","11.146","0.004","12.973","0.004","89.147","0.014","76.019","0.012","88.928","0.013","1409.8","0.7","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H39 B N2 O2 -","- C32 H39 B N2 O2 -","- C64 H78 B2 N4 O4 -","2","1","","Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger","Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.","Journal of the American Chemical Society","2016","138","26","8212","8220","10.1021/jacs.6b04128","","","0.71073","MoKα","","0.0828","0.054","","","0.1218","0.1361","","","","","","1.014","","","","has coordinates","240919","2020-10-21","18:00:00",""
"4130508","12.243","0.003","16.865","0.004","14.294","0.005","90","","111.702","0.017","90","","2742.2","1.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H90 B0 Cl2 N2 P2 Rh2 -","- C50 H90 B2 Cl2 N2 P2 Rh2 -","- C100 H180 B4 Cl4 N4 P4 Rh4 -","2","0.5","","Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger","Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.","Journal of the American Chemical Society","2016","138","26","8212","8220","10.1021/jacs.6b04128","","","0.71073","MoKα","","0.0199","0.0184","","","0.0446","0.0457","","","","","","0.95","","","","has coordinates","240919","2020-10-21","18:00:00",""
"4130509","26.975","0.013","9.754","0.004","11.28","0.007","90","","114.33","0.03","90","","2704","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 B2 N2 -","- C30 H46 B2 N2 -","- C120 H184 B8 N8 -","4","0.5","","Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger","Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.","Journal of the American Chemical Society","2016","138","26","8212","8220","10.1021/jacs.6b04128","","","0.71073","MoKα","","0.0911","0.0499","","","0.0973","0.1135","","","","","","1.023","","","","has coordinates","240919","2020-10-21","18:00:00",""
"4130510","15.57","0.005","15.57","0.005","14.579","0.008","90","","90","","120","","3061","2","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C42 H66 B3 N3 O0.15 -","- C42 H66 B3 N3 O0.15 -","- C126 H198 B9 N9 O0.45 -","3","0.333333","","Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger","Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.","Journal of the American Chemical Society","2016","138","26","8212","8220","10.1021/jacs.6b04128","","","0.71073","MoKα","","0.0686","0.0494","","","0.1116","0.12","","","","","","1.06","","","","has coordinates,has disorder","240919","2020-10-21","18:00:00",""
"4130511","12.0529","0.001","12.0529","0.001","7.4996","0.0007","90","","90","","120","","943.52","0.14","123","","123","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C21 H24 Al P -","- C21 H24 Al P -","- C42 H48 Al2 P2 -","2","0.333333","","Knaus, Maximilian G. M.; Giuman, Marco M.; Pöthig, Alexander; Rieger, Bernhard","End of Frustration: Catalytic Precision Polymerization with Highly Interacting Lewis Pairs.","Journal of the American Chemical Society","2016","138","24","7776","7781","10.1021/jacs.6b04129","","x-ray","0.71073","MoKα","","0.0434","0.0384","","","0.092","0.0949","","","","","","1.078","","","","has coordinates","240920","2020-10-21","18:00:00",""
"4130512","21.734","0.002","12.093","0.0012","14.1309","0.0014","90","","125.562","0.001","90","","3021.3","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H4 F24 Na O8 Y -","- C20 H4 F24 Na O8 Y -","- C80 H16 F96 Na4 O32 Y4 -","4","0.5","","Barry, Matthew C.; Wei, Zheng; He, Tianyu; Filatov, Alexander S.; Dikarev, Evgeny V.","Volatile Single-Source Precursors for the Low-Temperature Preparation of Sodium-Rare Earth Metal Fluorides.","Journal of the American Chemical Society","2016","138","28","8883","8887","10.1021/jacs.6b04194","","","0.71073","MoKα","","0.0496","0.0342","","","0.0739","0.0795","","","","","","1.048","","","","has coordinates","240921","2020-10-21","18:00:00",""
"4130513","21.5879","0.0008","12.1464","0.0005","14.2653","0.0011","90","","125.086","0.001","90","","3060.9","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H4 Eu F24 Na O8 -","- C20 H4 Eu F24 Na O8 -","- C80 H16 Eu4 F96 Na4 O32 -","4","0.5","","Barry, Matthew C.; Wei, Zheng; He, Tianyu; Filatov, Alexander S.; Dikarev, Evgeny V.","Volatile Single-Source Precursors for the Low-Temperature Preparation of Sodium-Rare Earth Metal Fluorides.","Journal of the American Chemical Society","2016","138","28","8883","8887","10.1021/jacs.6b04194","","","1.54178","CuKα","","0.0324","0.0322","","","0.0861","0.0863","","","","","","1.047","","","","has coordinates,has disorder","240921","2020-10-21","18:00:00",""
"4130514","21.789","0.002","12.0958","0.0011","14.096","0.003","90","","125.614","0.001","90","","3020.2","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H4 Er F24 Na O8 -","- C20 H4 Er F24 Na O8 -","- C80 H16 Er4 F96 Na4 O32 -","4","0.5","","Barry, Matthew C.; Wei, Zheng; He, Tianyu; Filatov, Alexander S.; Dikarev, Evgeny V.","Volatile Single-Source Precursors for the Low-Temperature Preparation of Sodium-Rare Earth Metal Fluorides.","Journal of the American Chemical Society","2016","138","28","8883","8887","10.1021/jacs.6b04194","","","0.71073","MoKα","","0.019","0.0165","","","0.0386","0.0396","","","","","","1.084","","","","has coordinates","240921","2020-10-21","18:00:00",""
"4130515","5.8337","0.0004","14.6798","0.001","20.8894","0.0015","90","","90","","90","","1788.9","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 O2 -","- C25 H22 O2 -","- C100 H88 O8 -","4","1","","Clarke, Christopher; Incerti-Pradillos, Celia A; Lam, Hon Wai","Enantioselective Nickel-Catalyzed anti-Carbometallative Cyclizations of Alkynyl Electrophiles Enabled by Reversible Alkenylnickel E/Z Isomerization.","Journal of the American Chemical Society","2016","138","26","8068","8071","10.1021/jacs.6b04206","","x-ray","1.54184","CuKα","","0.0342","0.033","","","0.084","0.0846","","","","","","1.11","","","","has coordinates","240922","2020-10-21","18:00:00",""
"4130516","6.0546","0.0006","15.0183","0.0016","18.7832","0.0019","90","","90","","90","","1708","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Cl O2 -","- C21 H19 Cl O2 -","- C84 H76 Cl4 O8 -","4","1","","Clarke, Christopher; Incerti-Pradillos, Celia A; Lam, Hon Wai","Enantioselective Nickel-Catalyzed anti-Carbometallative Cyclizations of Alkynyl Electrophiles Enabled by Reversible Alkenylnickel E/Z Isomerization.","Journal of the American Chemical Society","2016","138","26","8068","8071","10.1021/jacs.6b04206","","x-ray","1.54184","CuKα","","0.0357","0.0315","","","0.0761","0.0795","","","","","","1.047","","","","has coordinates","240923","2020-10-21","18:00:00",""
"4130517","9.4271","0.0001","6.00798","0.00004","29.03","0.0002","90","","93.1504","0.0008","90","","1641.71","0.02","120","2","120","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","1","","Clarke, Christopher; Incerti-Pradillos, Celia A; Lam, Hon Wai","Enantioselective Nickel-Catalyzed anti-Carbometallative Cyclizations of Alkynyl Electrophiles Enabled by Reversible Alkenylnickel E/Z Isomerization.","Journal of the American Chemical Society","2016","138","26","8068","8071","10.1021/jacs.6b04206","","x-ray","1.54184","CuKα","","0.027","0.027","","","0.0692","0.0692","","","","","","1.079","","","","has coordinates","240924","2020-10-21","18:00:00",""
"4130518","24.0701","0.0006","24.0701","0.0006","12.2447","0.0005","90","","90","","120","","6143.8","0.3","120","2","120","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C17 H16 O -","- C17 H16 O -","- C306 H288 O18 -","18","2","","Clarke, Christopher; Incerti-Pradillos, Celia A; Lam, Hon Wai","Enantioselective Nickel-Catalyzed anti-Carbometallative Cyclizations of Alkynyl Electrophiles Enabled by Reversible Alkenylnickel E/Z Isomerization.","Journal of the American Chemical Society","2016","138","26","8068","8071","10.1021/jacs.6b04206","","x-ray","1.54184","CuKα","","0.057","0.0521","","","0.1559","0.1618","","","","","","1.072","","","","has coordinates","240925","2020-10-21","18:00:00",""
"4130519","11.1793","0.0002","11.1793","0.0002","16.6946","0.0008","90","","90","","120","","1806.91","0.1","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H18 F12 Mg N6 P2 -","- C12 H18 F12 Mg N6 P2 -","- C36 H54 F36 Mg3 N18 P6 -","3","0.166667","","Keyzer, Evan N.; Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Dutton, Siân E; Grey, Clare P.; Wright, Dominic S.","Mg(PF6)2-Based Electrolyte Systems: Understanding Electrolyte-Electrode Interactions for the Development of Mg-Ion Batteries.","Journal of the American Chemical Society","2016","138","28","8682","8685","10.1021/jacs.6b04319","","","1.54178","CuKα","","0.0426","0.0354","","","0.0831","0.0874","","","","","","1.105","","","","has coordinates","240926","2020-10-21","18:00:00",""
"4130520","27.8633","0.0018","19.6876","0.0013","14.3635","0.0009","90","","121.019","0.002","90","","6752.5","0.8","100","2","99.99","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C64 H61 F18 N7 P3 -","- C64 H61 F18 N7 P3 -","- C256 H244 F72 N28 P12 -","4","0.5","","Cheng, Chuyang; Cheng, Tao; Xiao, Hai; Krzyaniak, Matthew D.; Wang, Yuping; McGonigal, Paul R.; Frasconi, Marco; Barnes, Jonathan C.; Fahrenbach, Albert C.; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes.","Journal of the American Chemical Society","2016","138","26","8288","8300","10.1021/jacs.6b04343","","","1.54178","CuKα","","0.1135","0.1005","","","0.2952","0.3082","","","","","","1.106","","","","has coordinates,has disorder","240927","2020-10-21","18:00:00",""
"4130521","16.64","0.004","16.71","0.003","17.16","0.004","75.037","0.013","70.814","0.013","62.956","0.014","3980","1.6","100","2","100.02","","","","","","","","","5","P -1","-P 1","2","","","","- C59 H62 F24 N7 P4 -","- C59 H62 F24 N7 P4 -","- C118 H124 F48 N14 P8 -","2","1","","Cheng, Chuyang; Cheng, Tao; Xiao, Hai; Krzyaniak, Matthew D.; Wang, Yuping; McGonigal, Paul R.; Frasconi, Marco; Barnes, Jonathan C.; Fahrenbach, Albert C.; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes.","Journal of the American Chemical Society","2016","138","26","8288","8300","10.1021/jacs.6b04343","","","1.54178","CuKα","","0.1916","0.1078","","","0.2756","0.3129","","","","","","0.929","","","","has coordinates,has disorder","240928","2020-10-21","18:00:00",""
"4130522","9.938","0.002","13.616","0.003","14.482","0.003","113.563","0.006","99.933","0.007","101.953","0.007","1684.6","0.6","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H72 F18 N8 P3 -","- C70 H72 F18 N8 P3 -","- C70 H72 F18 N8 P3 -","1","0.5","","Cheng, Chuyang; Cheng, Tao; Xiao, Hai; Krzyaniak, Matthew D.; Wang, Yuping; McGonigal, Paul R.; Frasconi, Marco; Barnes, Jonathan C.; Fahrenbach, Albert C.; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes.","Journal of the American Chemical Society","2016","138","26","8288","8300","10.1021/jacs.6b04343","","","1.54178","CuKα","","0.0313","0.031","","","0.0821","0.0824","","","","","","1.039","","","","has coordinates","240929","2020-10-21","18:00:00",""
"4130523","16.6492","0.0007","19.7296","0.0009","22.6647","0.001","90","","95.147","0.003","90","","7414.9","0.6","100","2","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C146 H151 F42 N21 P7 -","- C146 H151 F42 N21 P7 -","- C292 H302 F84 N42 P14 -","2","0.5","","Cheng, Chuyang; Cheng, Tao; Xiao, Hai; Krzyaniak, Matthew D.; Wang, Yuping; McGonigal, Paul R.; Frasconi, Marco; Barnes, Jonathan C.; Fahrenbach, Albert C.; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes.","Journal of the American Chemical Society","2016","138","26","8288","8300","10.1021/jacs.6b04343","","","1.54178","CuKα","","0.0909","0.0582","","","0.1523","0.1747","","","","","","1.033","","","","has coordinates,has disorder","240930","2020-10-21","18:00:00",""
"4130524","13.8924","0.0009","19.3041","0.0011","28.5592","0.0017","87.962","0.004","83.733","0.004","75.084","0.004","7356.5","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H64.5 F24 N8.5 P4 -","- C61 H64.5 F24 N8.5 P4 -","- C244 H258 F96 N34 P16 -","4","2","","Cheng, Chuyang; Cheng, Tao; Xiao, Hai; Krzyaniak, Matthew D.; Wang, Yuping; McGonigal, Paul R.; Frasconi, Marco; Barnes, Jonathan C.; Fahrenbach, Albert C.; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes.","Journal of the American Chemical Society","2016","138","26","8288","8300","10.1021/jacs.6b04343","","","1.54178","CuKα","","0.1754","0.1187","","","0.3038","0.3391","","","","","","1.114","","","","has coordinates,has disorder","240931","2020-10-21","18:00:00",""
"4130525","13.9238","0.0014","18.0258","0.0017","19.2008","0.0018","87.542","0.005","74.7","0.006","83.934","0.006","4621.8","0.8","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H78 F30 N12 P5 -","- C72 H78 F30 N12 P5 -","- C144 H156 F60 N24 P10 -","2","1","","Cheng, Chuyang; Cheng, Tao; Xiao, Hai; Krzyaniak, Matthew D.; Wang, Yuping; McGonigal, Paul R.; Frasconi, Marco; Barnes, Jonathan C.; Fahrenbach, Albert C.; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes.","Journal of the American Chemical Society","2016","138","26","8288","8300","10.1021/jacs.6b04343","","","1.54178","CuKα","","0.2417","0.1656","","","0.4604","0.5072","","","","","","1.7","","","","has coordinates,has disorder","240932","2020-10-21","18:00:00",""
"4130526","15.1698","0.0003","23.0713","0.0005","30.3293","0.0007","90","","96.032","0.002","90","","10556.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H124 Bi7.68 K3 N6 O18 Pb5.98 U -","- C68 H124 Bi7.6808 K3 N6 O18 Pb5.9786 U -","- C272 H496 Bi30.7232 K12 N24 O72 Pb23.9144 U4 -","4","1","","Lichtenberger, Niels; Wilson, Robert J.; Eulenstein, Armin R.; Massa, Werner; Clérac, Rodolphe; Weigend, Florian; Dehnen, Stefanie","Main Group Metal-Actinide Magnetic Coupling and Structural Response Upon U(4+) Inclusion Into Bi, Tl/Bi, or Pb/Bi Cages.","Journal of the American Chemical Society","2016","138","29","9033","9036","10.1021/jacs.6b04363","","","0.71073","MoKα","","0.0894","0.045","","","0.0584","0.0653","","","","","","1.151","","","","has coordinates","240933","2020-10-21","18:00:00",""
"4130527","31.7268","0.0006","39.3976","0.0012","16.698","0.0003","90","","90","","90","","20871.8","0.8","100","2","100","2","","","","","","","","7","P b a 2","P 2 -2ab","32","","","","- C64 H84 Bi12 K3 N9 O18 U -","- C39.5 H73 Bi12 K3 N5 O10.5 U -","- C316 H584 Bi96 K24 N40 O84 U8 -","8","2","","Lichtenberger, Niels; Wilson, Robert J.; Eulenstein, Armin R.; Massa, Werner; Clérac, Rodolphe; Weigend, Florian; Dehnen, Stefanie","Main Group Metal-Actinide Magnetic Coupling and Structural Response Upon U(4+) Inclusion Into Bi, Tl/Bi, or Pb/Bi Cages.","Journal of the American Chemical Society","2016","138","29","9033","9036","10.1021/jacs.6b04363","","","0.71073","MoKα","","0.1206","0.0585","","","0.0859","0.0935","","","","","","0.979","","","","has coordinates","240934","2020-10-21","18:00:00",""
"4130528","14.6092","0.0004","21.8659","0.0005","16.3877","0.0005","90","","106.917","0.002","90","","5008.4","0.2","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C63 H124 Bi11 K3 N8 O18 Tl2 U -","- C62.5 H124 Bi11 K3 N8 O18 Tl2 U -","- C125 H248 Bi22 K6 N16 O36 Tl4 U2 -","2","0.5","","Lichtenberger, Niels; Wilson, Robert J.; Eulenstein, Armin R.; Massa, Werner; Clérac, Rodolphe; Weigend, Florian; Dehnen, Stefanie","Main Group Metal-Actinide Magnetic Coupling and Structural Response Upon U(4+) Inclusion Into Bi, Tl/Bi, or Pb/Bi Cages.","Journal of the American Chemical Society","2016","138","29","9033","9036","10.1021/jacs.6b04363","","","0.71073","MoKα","","0.0797","0.056","","","0.1198","0.1275","","","","","","1.185","","","","has coordinates,has disorder","240935","2020-10-21","18:00:00",""
"4130529","9.7547","0.0003","12.6902","0.0003","17.196","0.0004","90","","90","","90","","2128.68","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O3 S -","- C25 H23 N O3 S -","- C100 H92 N4 O12 S4 -","4","1","","Guo, Chang; Fleige, Mirco; Janssen-Müller, Daniel; Daniliuc, Constantin G.; Glorius, Frank","Cooperative N-Heterocyclic Carbene/Palladium-Catalyzed Enantioselective Umpolung Annulations.","Journal of the American Chemical Society","2016","138","25","7840","7843","10.1021/jacs.6b04364","","","1.54178","CuKα","","0.0357","0.032","","","0.074","0.0761","","","","","","1.079","","","","has coordinates","240936","2020-10-21","18:00:00",""
"4130530","29.2365","0.0015","33.0466","0.0016","32.1833","0.0015","90","","91.677","0.004","90","","31081","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H30 F42 N6 O12 -","- C102 H30 F42 N6 O12 -","- C816 H240 F336 N48 O96 -","8","1","","Meng, Dong; Fu, Huiting; Xiao, Chengyi; Meng, Xiangyi; Winands, Thorsten; Ma, Wei; Wei, Wei; Fan, Bingbing; Huo, Lijun; Doltsinis, Nikos L.; Li, Yan; Sun, Yanming; Wang, Zhaohui","Three-Bladed Rylene Propellers with Three-Dimensional Network Assembly for Organic Electronics.","Journal of the American Chemical Society","2016","138","32","10184","10190","10.1021/jacs.6b04368","","","1.54184","CuKα","","0.2928","0.1947","","","0.4437","0.5012","","","","","","1.114","","","","has coordinates","240937","2020-10-21","18:00:00",""
"4130531","24.871","0.005","40.663","0.008","31.272","0.006","90","","102.71","0.03","90","","30851","11","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C144 H150 N6 O12 Se3 -","- C78 N6 O12 Se3 -","- C624 N48 O96 Se24 -","8","1","","Meng, Dong; Fu, Huiting; Xiao, Chengyi; Meng, Xiangyi; Winands, Thorsten; Ma, Wei; Wei, Wei; Fan, Bingbing; Huo, Lijun; Doltsinis, Nikos L.; Li, Yan; Sun, Yanming; Wang, Zhaohui","Three-Bladed Rylene Propellers with Three-Dimensional Network Assembly for Organic Electronics.","Journal of the American Chemical Society","2016","138","32","10184","10190","10.1021/jacs.6b04368","","","0.71073","MoKα","","0.3327","0.1772","","","0.4266","0.4982","","","","","","0.99","","","","has coordinates","240938","2020-10-21","18:00:00",""
"4130532","13.386","0.001","13.874","0.002","17.401","0.001","91.797","0.002","109.34","0.03","109.77","0.02","2831.9","0.9","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C92.4 H105.6 F15.6 N2 O33.2 P8 -","- C92 H104 F15 N2 O33 P8 -","- C92 H104 F15 N2 O33 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0877","0.0849","","","0.2358","0.2399","","","","","","1.033","","","","has coordinates,has disorder","240939","2020-10-21","18:00:00",""
"4130533","13.174","0.001","14.676","0.002","16.965","0.001","67.422","0.003","71.903","0.002","82.706","0.002","2878.7","0.5","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C92 H108.9 Cl2 F18.9 N2 O33.8 P8 -","- C92 H109.3 Cl2 F18.9 N2 O33.8 P8 -","- C92 H109.3 Cl2 F18.9 N2 O33.8 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0763","0.0745","","","0.2127","0.2161","","","","","","1.034","","","","has coordinates,has disorder","240940","2020-10-21","18:00:00",""
"4130534","12.132","0.002","14.541","0.001","15.468","0.001","90.106","0.002","81.165","0.003","84.626","0.002","2684.1","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C94 H112 F18 N2 O36 P8 -","- C94 H112 F18 N2 O36 P8 -","- C94 H112 F18 N2 O36 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0714","0.0631","","","0.1721","0.1811","","","","","","1.036","","","","has coordinates","240942","2020-10-21","18:00:00",""
"4130535","22.28","0.01","18.09","0.01","24.96","0.01","90","","106.28","0.02","90","","9657","8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C170.8 H192.9 F22.55 N3.8 O70.5 P16 -","- C170.8 H192.9 F22.55 N3.8 O70.5 P16 -","- C341.6 H385.8 F45.1 N7.6 O141 P32 -","2","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.2891","0.1397","","","0.306","0.3501","","","","","","0.989","","","","has coordinates,has disorder","240943","2020-10-21","18:00:00",""
"4130536","11.93","0.002","17.817","0.001","12.515","0.003","90","","95.225","0.004","90","","2649.1","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H54 F9 N O18 P4 -","- C46 H54 F9 N O18 P4 -","- C92 H108 F18 N2 O36 P8 -","2","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.6","","","0.0512","0.0489","","","0.1351","0.1371","","","","","","1.038","","","","has coordinates,has disorder","240944","2020-10-21","18:00:00",""
"4130537","12.78","0.01","14.37","0.01","18.31","0.01","70.09","0.02","69.92","0.01","69.68","0.02","2867","3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C96.2 H111.3 F21.3 N2 O37.1 P8 -","- C96.2 H111.3 F21.3 N2 O37.1 P8 -","- C96.2 H111.3 F21.3 N2 O37.1 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0718","0.0712","","","0.1947","0.1958","","","","","","1.054","","","","has coordinates,has disorder","240945","2020-10-21","18:00:00",""
"4130538","12.65","0.01","18.35","0.01","26.59","0.01","81.38","0.02","84.56","0.03","70.12","0.02","5732","6","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C192 H228 F48 N4 O72.4 P16 -","- C192 H227.65 F48 N4 O72.05 P16 -","- C192 H227.65 F48 N4 O72.05 P16 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0634","0.0605","","","0.1632","0.1676","","","","","","1.038","","","","has coordinates,has disorder","240946","2020-10-21","18:00:00",""
"4130539","17.315","0.005","34.061","0.004","17.316","0.005","90","","90.201","0.005","90","","10212","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C79 H84 Cl N6 O25.8 P4 -","- C79 H84 Cl N6 O25.8 P4 -","- C316 H336 Cl4 N24 O103.2 P16 -","4","0.5","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.79999","","","0.1642","0.1274","","","0.3884","0.4265","","","","","","1.638","","","","has coordinates,has disorder","240947","2020-10-21","18:00:00",""
"4130540","12.99","0.01","15.33","0.01","16.81","0.01","115.32","0.02","99.27","0.03","100.53","0.02","2865","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47.5 H58.25 Cl F8.25 N O17.75 P4 -","- C47.5 H58.25 Cl F8.25 N O17.75 P4 -","- C95 H116.5 Cl2 F16.5 N2 O35.5 P8 -","2","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0688","0.0662","","","0.1784","0.1806","","","","","","1.037","","","","has coordinates,has disorder","240948","2020-10-21","18:00:00",""
"4130541","12.859","0.0001","26.902","0.0001","17.078","0.0001","90","","109.58","0.03","90","","5566.2","1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C95.2 H117.8 Cl2 F13.8 N2 O33.15 P8 -","- C95.2 H117.8 Cl2 F13.8 N2 O33.15 P8 -","- C190.4 H235.6 Cl4 F27.6 N4 O66.3 P16 -","2","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.69999","","","0.1049","0.0818","","","0.2087","0.2306","","","","","","1.017","","","","has coordinates,has disorder","240949","2020-10-21","18:00:00",""
"4130542","12.37","0.01","13.26","0.01","17.96","0.01","69.97","0.02","78.83","0.03","82.15","0.02","2707","3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C98 H108 Cl2 F12 N2 O34.15 P8 -","- C98 H108 Cl2 F12 N2 O34.15 P8 -","- C98 H108 Cl2 F12 N2 O34.15 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","x-ray","0.7","","","0.0565","0.0561","","","0.1457","0.146","","","","","","1.048","","","","has coordinates,has disorder","240950","2020-10-21","18:00:00",""
"4130543","12.779","0.002","17.178","0.001","17.193","0.002","65.681","0.003","70.396","0.002","73.262","0.002","3190.2","0.7","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C95.2 H113.8 Cl2 F25.8 N2 O36.6 P8 -","- C95.4 H114.1 Cl2 F26.1 N2 O36.7 P8 -","- C95.4 H114.1 Cl2 F26.1 N2 O36.7 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0673","0.0662","","","0.1847","0.186","","","","","","1.063","","","","has coordinates,has disorder","240951","2020-10-21","18:00:00",""
"4130544","11.99","0.01","12.82","0.01","17.65","0.01","87.99","0.02","87.73","0.03","83.4","0.01","2692","3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C88 H101 F15 N2 O33 P8 S2 -","- C88 H101 F15 N2 O33 P8 S2 -","- C88 H101 F15 N2 O33 P8 S2 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0688","0.0684","","","0.1918","0.1922","","","","","","1.144","","","","has coordinates,has disorder","240952","2020-10-21","18:00:00",""
"4130545","12.59","0.01","15.96","0.01","16.97","0.01","93.69","0.02","107.73","0.03","105.58","0.02","3089","4","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C98.9 H122.35 Cl2 F22.35 N2 O37.45 P8 -","- C98.9 H122.35 Cl2 F22.35 N2 O37.45 P8 -","- C98.9 H122.35 Cl2 F22.35 N2 O37.45 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0582","0.0578","","","0.1708","0.1713","","","","","","1.043","","","","has coordinates","240953","2020-10-21","18:00:00",""
"4130546","13.19","0.01","13.77","0.01","17.91","0.01","95.67","0.01","110.4","0.02","109","0.02","2799","3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C82.5 H92.75 F6.75 N2 O32.25 P8 -","- C82.5 H89.75 F6.75 N2 O32.25 P8 -","- C82.5 H89.75 F6.75 N2 O32.25 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.1321","0.114","","","0.3305","0.3496","","","","","","1.411","","","","has coordinates","240954","2020-10-21","18:00:00",""
"4130547","9.4218","0.0011","9.4218","0.0011","41.184","0.005","90","","90","","120","","3166.1","0.6","100.01","0.1","100.01","0.1","","","","","","","","6","P 65","P 65","170","","","","- C24 H18 Br N O3 S -","- C24 H18 Br N O3 S -","- C144 H108 Br6 N6 O18 S6 -","6","1","","Wang, Qiang; Li, Tian-Ren; Lu, Liang-Qiu; Li, Miao-Miao; Zhang, Kai; Xiao, Wen-Jing","Catalytic Asymmetric [4 + 1] Annulation of Sulfur Ylides with Copper-Allenylidene Intermediates.","Journal of the American Chemical Society","2016","138","27","8360","8363","10.1021/jacs.6b04414","","","0.71073","MoKα","","0.0879","0.0564","","","0.1079","0.1201","","","","","","1.142","","","","has coordinates","240955","2020-10-21","18:00:00",""
"4130548","11.638","0.005","9.695","0.003","28.574","0.01","90","","96.741","0.011","90","","3202","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 N2 O4 S2 -","- C37 H32 N2 O4 S2 -","- C148 H128 N8 O16 S8 -","4","1","","Wang, Qiang; Li, Tian-Ren; Lu, Liang-Qiu; Li, Miao-Miao; Zhang, Kai; Xiao, Wen-Jing","Catalytic Asymmetric [4 + 1] Annulation of Sulfur Ylides with Copper-Allenylidene Intermediates.","Journal of the American Chemical Society","2016","138","27","8360","8363","10.1021/jacs.6b04414","","","0.71073","MoKα","","0.2009","0.0699","","","0.1038","0.1371","","","","","","1.023","","","","has coordinates","240956","2020-10-21","18:00:00",""
"4130549","21.7706","0.0005","10.2389","0.0003","17.6237","0.0004","90","","112.03","0.002","90","","3641.62","0.17","193","2","193","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C54 H38 -","- C54 H38 -","- C216 H152 -","4","1","","Liu, Junzhi; Osella, Silvio; Ma, Ji; Berger, Reinhard; Beljonne, David; Schollmeyer, Dieter; Feng, Xinliang; Müllen, Klaus","Fused Dibenzo[a,m]rubicene: A New Bowl-Shaped Subunit of C70 Containing Two Pentagons.","Journal of the American Chemical Society","2016","138","27","8364","8367","10.1021/jacs.6b04426","","","0.71073","MoKα","","0.0795","0.0681","","","0.1914","0.2049","","","","","","1.012","","","","has coordinates","240957","2020-10-21","18:00:00",""
"4130550","11.7932","0.0007","18.2962","0.001","20.0268","0.0012","107.388","0.004","93.328","0.005","96.709","0.004","4075.7","0.4","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H40 Cl2 -","- C54 H40 Cl2 -","- C216 H160 Cl8 -","4","2","","Liu, Junzhi; Osella, Silvio; Ma, Ji; Berger, Reinhard; Beljonne, David; Schollmeyer, Dieter; Feng, Xinliang; Müllen, Klaus","Fused Dibenzo[a,m]rubicene: A New Bowl-Shaped Subunit of C70 Containing Two Pentagons.","Journal of the American Chemical Society","2016","138","27","8364","8367","10.1021/jacs.6b04426","","","1.54178","CuKα","","0.1705","0.0688","","","0.1638","0.2249","","","","","","0.858","","","","has coordinates,has disorder","240958","2020-10-21","18:00:00",""
"4130551","9.0142","0.00014","10.94112","0.00014","38.4416","0.0006","90","","90","","90","","3791.32","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-(/aMe)Val(-OtBu)-FUM-(Aib)4-Gly-NH2","","","- C32 H55 N7 O9 -","- C32 H55 N7 O9 -","- C128 H220 N28 O36 -","4","1","","Mazzier, Daniela; Crisma, Marco; De Poli, Matteo; Marafon, Giulia; Peggion, Cristina; Clayden, Jonathan; Moretto, Alessandro","Helical Foldamers Incorporating Photoswitchable Residues for Light-Mediated Modulation of Conformational Preference.","Journal of the American Chemical Society","2016","138","25","8007","8018","10.1021/jacs.6b04435","","","1.54178","CuKα","","0.0438","0.0406","","","0.1098","0.1126","","","","","","1.031","","","","has coordinates","240959","2020-10-21","18:00:00",""
"4130552","12.78876","0.00014","21.3074","0.0002","42.2055","0.0006","90","","90","","90","","11500.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-(/aMe)Val(-OtBu)-MAL-Aib-OMe","","","- C19 H32 N2 O6 -","- C19 H32 N2 O6 -","- C380 H640 N40 O120 -","20","5","","Mazzier, Daniela; Crisma, Marco; De Poli, Matteo; Marafon, Giulia; Peggion, Cristina; Clayden, Jonathan; Moretto, Alessandro","Helical Foldamers Incorporating Photoswitchable Residues for Light-Mediated Modulation of Conformational Preference.","Journal of the American Chemical Society","2016","138","25","8007","8018","10.1021/jacs.6b04435","","","1.54178","CuKα","","0.0601","0.0525","","","0.1481","0.1558","","","","","","1.044","","","","has coordinates","240960","2020-10-21","18:00:00",""
"4130553","30.5957","0.0007","30.5957","0.0007","30.7966","0.0008","90","","90","","120","","24966.3","1","173","0.14","173","0.14","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C336 H210 Ag30 Au80 Cl15 -","- C336 H210 Ag30 Au80 Cl15 -","- C672 H420 Ag60 Au160 Cl30 -","2","0.166667","","Zeng, Jiu-Lian; Guan, Zong-Jie; Du, Yang; Nan, Zi-Ang; Lin, Yu-Mei; Wang, Quan-Ming","Chloride-Promoted Formation of a Bimetallic Nanocluster Au80Ag30 and the Total Structure Determination.","Journal of the American Chemical Society","2016","138","25","7848","7851","10.1021/jacs.6b04471","","","1.54184","CuKα","","0.1086","0.0801","","","0.2457","0.267","","","","","","1.209","","","","has coordinates,has disorder","240961","2020-10-21","18:00:00",""
"4130554","24.0438","0.001","11.127","0.0008","26.6039","0.0014","90","","92.549","0.004","90","","7110.4","0.7","253","","253","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H60 N4 O4 -","- C68 H60 N4 O4 -","- C272 H240 N16 O16 -","4","1","","Das, Soumyajit; Herng, Tun Seng; Zafra, José L; Burrezo, Paula Mayorga; Kitano, Masaaki; Ishida, Masatoshi; Gopalakrishna, Tullimilli Y.; Hu, Pan; Osuka, Atsuhiro; Casado, Juan; Ding, Jun; Casanova, David; Wu, Jishan","Fully Fused Quinoidal/Aromatic Carbazole Macrocycles with Poly-radical Characters.","Journal of the American Chemical Society","2016","138","24","7782","7790","10.1021/jacs.6b04539","","","1.54178","CuKα","","0.183","0.0775","","","0.195","0.2489","","","","","","0.934","","","","has coordinates,has disorder","240962","2020-10-21","18:00:00",""
"4130555","38.523","0.0006","38.523","0.0006","14.3978","0.0003","90","","90","","90","","21366.6","0.6","100","","100","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C123 H114 N6 O6 -","- C123 H114 N6 O6 -","- C984 H912 N48 O48 -","8","1","","Das, Soumyajit; Herng, Tun Seng; Zafra, José L; Burrezo, Paula Mayorga; Kitano, Masaaki; Ishida, Masatoshi; Gopalakrishna, Tullimilli Y.; Hu, Pan; Osuka, Atsuhiro; Casado, Juan; Ding, Jun; Casanova, David; Wu, Jishan","Fully Fused Quinoidal/Aromatic Carbazole Macrocycles with Poly-radical Characters.","Journal of the American Chemical Society","2016","138","24","7782","7790","10.1021/jacs.6b04539","","","0.71075","MoKα","","0.1733","0.1179","","","0.3424","0.3812","","","","","","1.343","","","","has coordinates,has disorder","240963","2020-10-21","18:00:00",""
"4130556","5.7473","0.0002","25.7792","0.0007","15.3715","0.0004","90","","90.0512","0.0013","90","","2277.45","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C104 H112 N16 O8 -","8","4","","Friis, Stig D.; Pirnot, Michael T.; Buchwald, Stephen L.","Asymmetric Hydroarylation of Vinylarenes Using a Synergistic Combination of CuH and Pd Catalysis.","Journal of the American Chemical Society","2016","138","27","8372","8375","10.1021/jacs.6b04566","","","1.54178","CuKα","","0.0304","0.03","","","0.0787","0.0793","","","","","","1.028","","","","has coordinates","240965","2020-10-21","18:00:00",""
"4130557","9.4441","0.0017","9.3924","0.0018","44.328","0.008","90","","90","","90","","3932","1.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Cl N2 O -","- C23 H21 Cl N2 O -","- C184 H168 Cl8 N16 O8 -","8","1","","Gerry, Christopher J.; Hua, Bruce K.; Wawer, Mathias J.; Knowles, Jonathan P.; Nelson, Jr, Shawn D; Verho, Oscar; Dandapani, Sivaraman; Wagner, Bridget K.; Clemons, Paul A.; Booker-Milburn, Kevin I; Boskovic, Zarko V.; Schreiber, Stuart L.","Real-Time Biological Annotation of Synthetic Compounds.","Journal of the American Chemical Society","2016","138","28","8920","8927","10.1021/jacs.6b04614","","","0.71073","MoKα","","0.0803","0.057","","","0.1104","0.1183","","","","","","1.129","","","","has coordinates,has disorder","240966","2020-10-21","18:00:00",""
"4130558","8.57","0.05","10.21","0.03","16.63","0.06","90","","98.84","0.12","90","","1438","11","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H30 O5 P2 -","- C33 H30 O5 P2 -","- C66 H60 O10 P4 -","2","1","","Huang, Zhijian; Huang, Xuan; Li, Baosheng; Mou, Chengli; Yang, Song; Song, Bao-An; Chi, Yonggui Robin","Access to P-Stereogenic Phosphinates via N-Heterocyclic Carbene-Catalyzed Desymmetrization of Bisphenols.","Journal of the American Chemical Society","2016","138","24","7524","7527","10.1021/jacs.6b04624","","","0.71073","MoKα","","0.082","0.0586","","","0.1071","0.1196","","","","","","1.028","","","","has coordinates","240967","2020-10-21","18:00:00",""
"4130559","14.7211","0.0009","7.1449","0.0004","23.5913","0.0014","90","","90.528","0.004","90","","2481.2","0.3","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H21 Br2 O6 P -","- C26 H21 Br2 O6 P -","- C104 H84 Br8 O24 P4 -","4","1","","Huang, Zhijian; Huang, Xuan; Li, Baosheng; Mou, Chengli; Yang, Song; Song, Bao-An; Chi, Yonggui Robin","Access to P-Stereogenic Phosphinates via N-Heterocyclic Carbene-Catalyzed Desymmetrization of Bisphenols.","Journal of the American Chemical Society","2016","138","24","7524","7527","10.1021/jacs.6b04624","","","0.71073","MoKα","","0.1329","0.0623","","","0.1304","0.1711","","","","","","1.012","","","","has coordinates,has disorder","240968","2020-10-21","18:00:00",""
"4130560","17.85","0.003","17.85","0.003","13.064","0.002","90","","90","","120","","3604.8","1","90","2","90","2","","","","","","","","9","P 63","P 6c","173","","","","- C36 H70 Au3 Ca Cl9 Cu6 N6 O30 S6 -","- C36 H48 Au3 Ca Cl3 Cu6 N6 O22 S6 -","- C72 H96 Au6 Ca2 Cl6 Cu12 N12 O44 S12 -","2","0.333333","","Mon, Marta; Ferrando-Soria, Jesús; Grancha, Thais; Fortea-Pérez, Francisco R; Gascon, Jorge; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio","Selective Gold Recovery and Catalysis in a Highly Flexible Methionine-Decorated Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","25","7864","7867","10.1021/jacs.6b04635","","","0.71073","MoKα","","0.192","0.1207","","","0.3191","0.3492","","","","","","1.005","","","","has coordinates","240969","2020-10-21","18:00:00",""
"4130561","17.7992","0.0016","17.7992","0.0016","12.7145","0.0016","90","","90","","120","","3488.4","0.6","90","2","90","2","","","","","","","","7","P 63","P 6c","173","","","","- C36 H84 Ca Cu6 N6 O37 S6 -","- C36 H48 Ca Cu6 N6 O37 S6 -","- C72 H96 Ca2 Cu12 N12 O74 S12 -","2","0.333333","","Mon, Marta; Ferrando-Soria, Jesús; Grancha, Thais; Fortea-Pérez, Francisco R; Gascon, Jorge; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio","Selective Gold Recovery and Catalysis in a Highly Flexible Methionine-Decorated Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","25","7864","7867","10.1021/jacs.6b04635","","","0.71073","MoKα","","0.1492","0.089","","","0.2421","0.2911","","","","","","1.03","","","","has coordinates","240970","2020-10-21","18:00:00",""
"4130562","17.7487","0.0012","17.7487","0.0012","12.695","0.0012","90","","90","","120","","3463.4","0.5","90","2","90","2","","","","","","","","9","P 63","P 6c","173","","","","- C39 H70 Au2 Ca Cl2 Cu6 N6 O27 S6 -","- C39 H48 Au1.9998 Ca Cl2.0001 Cu6 N6 O27 S6 -","- C78 H96 Au3.9996 Ca2 Cl4.0002 Cu12 N12 O54 S12 -","2","0.333333","","Mon, Marta; Ferrando-Soria, Jesús; Grancha, Thais; Fortea-Pérez, Francisco R; Gascon, Jorge; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio","Selective Gold Recovery and Catalysis in a Highly Flexible Methionine-Decorated Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","25","7864","7867","10.1021/jacs.6b04635","","","0.71073","MoKα","","0.1772","0.1162","","","0.3188","0.3687","","","","","","1.065","","","","has coordinates","240971","2020-10-21","18:00:00",""
"4130563","13.2003","0.0006","12.3054","0.0006","15.2936","0.0007","90","","109.297","0.001","90","","2344.65","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","holpg04","","","- C50 H66 Cl2 Fe2 N4 -","- C50 H66 Cl2 Fe2 N4 -","- C100 H132 Cl4 Fe4 N8 -","2","0.5","","Bellows, Sarina M.; Arnet, Nicholas A.; Gurubasavaraj, Prabhuodeyara M.; Brennessel, William W.; Bill, Eckhard; Cundari, Thomas R.; Holland, Patrick L.","The Mechanism of N-N Double Bond Cleavage by an Iron(II) Hydride Complex.","Journal of the American Chemical Society","2016","138","37","12112","12123","10.1021/jacs.6b04654","","","0.71073","MoKα","","0.0951","0.0525","","","0.1288","0.1506","","","","","","1.046","","","","has coordinates","240972","2020-10-21","18:00:00",""
"4130564","8.2811","0.0006","16.2945","0.0012","20.4576","0.0016","90","","96.811","0.002","90","","2741","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","holpg01","","","- C29 H41 Cl Fe N2 O -","- C29 H41 Cl Fe N2 O -","- C116 H164 Cl4 Fe4 N8 O4 -","4","1","","Bellows, Sarina M.; Arnet, Nicholas A.; Gurubasavaraj, Prabhuodeyara M.; Brennessel, William W.; Bill, Eckhard; Cundari, Thomas R.; Holland, Patrick L.","The Mechanism of N-N Double Bond Cleavage by an Iron(II) Hydride Complex.","Journal of the American Chemical Society","2016","138","37","12112","12123","10.1021/jacs.6b04654","","","0.71073","MoKα","","0.0551","0.037","","","0.0902","0.0993","","","","","","1.042","","","","has coordinates,has disorder","240972","2020-10-21","18:00:00",""
"4130565","13.2514","0.0013","11.7781","0.0012","15.3265","0.0015","90","","110.665","0.002","90","","2238.2","0.4","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","holpg07","","","- C50 H68 Fe2 N4 -","- C50 H68 Fe2 N4 -","- C100 H136 Fe4 N8 -","2","0.5","","Bellows, Sarina M.; Arnet, Nicholas A.; Gurubasavaraj, Prabhuodeyara M.; Brennessel, William W.; Bill, Eckhard; Cundari, Thomas R.; Holland, Patrick L.","The Mechanism of N-N Double Bond Cleavage by an Iron(II) Hydride Complex.","Journal of the American Chemical Society","2016","138","37","12112","12123","10.1021/jacs.6b04654","","","0.71073","MoKα","","0.0937","0.0527","","","0.1228","0.1435","","","","","","1.037","","","","has coordinates,has disorder","240972","2020-10-21","18:00:00",""
"4130566","8.3664","0.0005","10.6963","0.0007","23.4901","0.0015","89.191","0.001","88.782","0.001","82.439","0.001","2083.2","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","holpg10","","","- C50 H66 Fe2 N4 -","- C50 H66 Fe2 N4 -","- C100 H132 Fe4 N8 -","2","1","","Bellows, Sarina M.; Arnet, Nicholas A.; Gurubasavaraj, Prabhuodeyara M.; Brennessel, William W.; Bill, Eckhard; Cundari, Thomas R.; Holland, Patrick L.","The Mechanism of N-N Double Bond Cleavage by an Iron(II) Hydride Complex.","Journal of the American Chemical Society","2016","138","37","12112","12123","10.1021/jacs.6b04654","","","0.71073","MoKα","","0.1005","0.0539","","","0.1166","0.1363","","","","","","1.019","","","","has coordinates,has disorder","240972","2020-10-21","18:00:00",""
"4130567","12.1883","0.0011","14.4703","0.0013","14.9963","0.0014","90","","91.732","0.002","90","","2643.7","0.4","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","holpg14","","","- C62 H76 Fe2 N6 -","- C62 H76 Fe2 N6 -","- C124 H152 Fe4 N12 -","2","0.5","","Bellows, Sarina M.; Arnet, Nicholas A.; Gurubasavaraj, Prabhuodeyara M.; Brennessel, William W.; Bill, Eckhard; Cundari, Thomas R.; Holland, Patrick L.","The Mechanism of N-N Double Bond Cleavage by an Iron(II) Hydride Complex.","Journal of the American Chemical Society","2016","138","37","12112","12123","10.1021/jacs.6b04654","","","0.71073","MoKα","","0.0907","0.0492","","","0.1084","0.1283","","","","","","1.018","","","","has coordinates","240972","2020-10-21","18:00:00",""
"4130568","17.139","0.002","19.714","0.003","20.122","0.003","90","","96.11","0.003","90","","6760.2","1.6","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","holsc30","","","- C79 H94 Fe2 N8 -","- C79 H94 Fe2 N8 -","- C316 H376 Fe8 N32 -","4","1","","Bellows, Sarina M.; Arnet, Nicholas A.; Gurubasavaraj, Prabhuodeyara M.; Brennessel, William W.; Bill, Eckhard; Cundari, Thomas R.; Holland, Patrick L.","The Mechanism of N-N Double Bond Cleavage by an Iron(II) Hydride Complex.","Journal of the American Chemical Society","2016","138","37","12112","12123","10.1021/jacs.6b04654","","","0.71073","MoKα","","0.0861","0.0504","","","0.1249","0.1375","","","","","","1.037","","","","has coordinates,has disorder","240972","2020-10-21","18:00:00",""
"4130569","6.2719","0.0002","9.7785","0.0003","10.0673","0.0004","115.426","0.001","93.829","0.001","100.896","0.001","539.9","0.03","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C23 H22 N2 O6 S -","- C23 H22 N2 O6 S -","- C23 H22 N2 O6 S -","1","1","","Xiao, Kai-Jiong; Chu, Ling; Chen, Gang; Yu, Jin-Quan","Kinetic Resolution of Benzylamines via Palladium(II)-Catalyzed C-H Cross-Coupling.","Journal of the American Chemical Society","2016","138","24","7796","7800","10.1021/jacs.6b04660","","x-ray","0.71073","MoKα","","0.0326","0.0299","","","0.0704","0.0719","","","","","","1.037","","","","has coordinates","240973","2020-10-21","18:00:00",""
"4130570","10.1941","0.0008","26.676","0.002","12.0718","0.0009","90","","113.107","0.001","90","","3019.4","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H64 Cl F14 N7 O2 S2 -","- C54 H64 Cl F14 N7 O2 S2 -","- C108 H128 Cl2 F28 N14 O4 S4 -","2","1","","Ford, David D.; Lehnherr, Dan; Kennedy, C. Rose; Jacobsen, Eric N.","On- and Off-Cycle Catalyst Cooperativity in Anion-Binding Catalysis.","Journal of the American Chemical Society","2016","138","25","7860","7863","10.1021/jacs.6b04686","","","0.71073","MoKα","","0.0495","0.0399","","","0.084","0.0884","","","","","","1.026","","","","has coordinates,has disorder","240974","2020-10-21","18:00:00",""
"4130571","11.5955","0.0002","11.8094","0.0002","13.3744","0.0002","112.922","0.001","92.39","0.001","117.085","0.001","1447.26","0.05","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C56 H66 F14 N6 O2 S2 -","- C56 H66 F14 N6 O2 S2 -","- C56 H66 F14 N6 O2 S2 -","1","1","","Ford, David D.; Lehnherr, Dan; Kennedy, C. Rose; Jacobsen, Eric N.","On- and Off-Cycle Catalyst Cooperativity in Anion-Binding Catalysis.","Journal of the American Chemical Society","2016","138","25","7860","7863","10.1021/jacs.6b04686","","","1.54178","CuKα","","0.0543","0.0523","","","0.111","0.1287","","","","","","1.024","","","","has coordinates,has disorder","240974","2020-10-21","18:00:00",""
"4130572","13.1841","0.0003","20.3186","0.0004","20.8594","0.0004","104.092","0.001","101.305","0.001","100.497","0.001","5156.93","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H104 F28 N12 O4 S4 -","- C99.999 H104 F27.997 N12 O4 S4 -","- C199.998 H208 F55.994 N24 O8 S8 -","2","1","","Ford, David D.; Lehnherr, Dan; Kennedy, C. Rose; Jacobsen, Eric N.","On- and Off-Cycle Catalyst Cooperativity in Anion-Binding Catalysis.","Journal of the American Chemical Society","2016","138","25","7860","7863","10.1021/jacs.6b04686","","","1.54178","CuKα","","0.0937","0.0789","","","0.1915","0.2057","","","","","","1.029","","","","has coordinates,has disorder","240974","2020-10-21","18:00:00",""
"4130573","22.6193","0.0006","12.2384","0.0003","29.5286","0.0007","90","","92.679","0.002","90","","8165.3","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C75 H78 F21 N9 O3 S3 -","- C75 H78 F21 N9 O3 S3 -","- C300 H312 F84 N36 O12 S12 -","4","1","","Ford, David D.; Lehnherr, Dan; Kennedy, C. Rose; Jacobsen, Eric N.","On- and Off-Cycle Catalyst Cooperativity in Anion-Binding Catalysis.","Journal of the American Chemical Society","2016","138","25","7860","7863","10.1021/jacs.6b04686","","","0.71073","MoKα","","0.0402","0.0354","","","0.0862","0.0887","","","","","","1.03","","","","has coordinates,has disorder","240974","2020-10-21","18:00:00",""
"4130574","21.9073","0.0011","10.2539","0.0005","15.4936","0.0008","90","","119.671","0.003","90","","3024.1","0.3","180","2","180","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C54 H64 Cl F14 N7 O4 -","- C54 H64 Cl F14 N7 O4 -","- C108 H128 Cl2 F28 N14 O8 -","2","0.5","","Ford, David D.; Lehnherr, Dan; Kennedy, C. Rose; Jacobsen, Eric N.","On- and Off-Cycle Catalyst Cooperativity in Anion-Binding Catalysis.","Journal of the American Chemical Society","2016","138","25","7860","7863","10.1021/jacs.6b04686","","","1.54178","CuKα","","0.0867","0.0783","","","0.193","0.2017","","","","","","1.096","","","","has coordinates,has disorder","240974","2020-10-21","18:00:00",""
"4130575","7.9663","0.0005","12.2238","0.0006","16.0261","0.001","90","","90","","90","","1560.6","0.16","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 Br O3 -","- C16 H23 Br O3 -","- C64 H92 Br4 O12 -","4","1","","Martinez, Luisruben P.; Umemiya, Shigenobu; Wengryniuk, Sarah E.; Baran, Phil S.","11-Step Total Synthesis of Pallambins C and D.","Journal of the American Chemical Society","2016","138","24","7536","7539","10.1021/jacs.6b04816","","x-ray","0.71073","MoKα","","0.0456","0.0342","","","0.0611","0.0644","","","","","","1.017","","","","has coordinates","240975","2020-10-21","18:00:00",""
"4130576","7.8751","0.0003","13.4021","0.0007","13.2598","0.0007","90","","106.144","0.001","90","","1344.29","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Martinez, Luisruben P.; Umemiya, Shigenobu; Wengryniuk, Sarah E.; Baran, Phil S.","11-Step Total Synthesis of Pallambins C and D.","Journal of the American Chemical Society","2016","138","24","7536","7539","10.1021/jacs.6b04816","","","0.71073","MoKα","","0.0389","0.0362","","","0.0926","0.0957","","","","","","1.004","","","","has coordinates","240976","2020-10-21","18:00:00",""
"4130577","14.421","0.005","7.5148","0.0018","12.931","0.004","90","","103.204","0.01","90","","1364.3","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Martinez, Luisruben P.; Umemiya, Shigenobu; Wengryniuk, Sarah E.; Baran, Phil S.","11-Step Total Synthesis of Pallambins C and D.","Journal of the American Chemical Society","2016","138","24","7536","7539","10.1021/jacs.6b04816","","","0.71073","MoKα","","0.0601","0.0413","","","0.0975","0.1071","","","","","","1.026","","","","has coordinates","240977","2020-10-21","18:00:00",""
"4130578","45.3","0.0011","28.6539","0.0007","88.045","0.002","90","","90.94","0.002","90","","114269","5","230","2","230","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Au72(SPhBu-t)44","","","- C440 H572 Au92 S44 -","- C440 H572 Au92 S44 -","- C3520 H4576 Au736 S352 -","8","1","","Zeng, Chenjie; Liu, Chong; Chen, Yuxiang; Rosi, Nathaniel L.; Jin, Rongchao","Atomic Structure of Self-Assembled Monolayer of Thiolates on a Tetragonal Au92 Nanocrystal.","Journal of the American Chemical Society","2016","138","28","8710","8713","10.1021/jacs.6b04835","","","1.54178","CuKα","","0.1682","0.108","","","0.3139","0.3737","","","","","","1.045","","","","has coordinates","240978","2020-10-21","18:00:00",""
"4130579","9.0894","0.0003","11.2642","0.0004","20.8038","0.0007","95.61","0.003","92.724","0.003","107.775","0.003","2011.86","0.12","150","2","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N2 Si -","- C24 H22 N2 Si -","- C96 H88 N8 Si4 -","4","2","","Chen, Qing-An; Klare, Hendrik F. T.; Oestreich, Martin","Brønsted Acid-Promoted Formation of Stabilized Silylium Ions for Catalytic Friedel-Crafts C-H Silylation.","Journal of the American Chemical Society","2016","138","25","7868","7871","10.1021/jacs.6b04878","","x-ray","1.54184","CuKα","","0.0451","0.0414","","","0.1056","0.1089","","","","","","1.02","","","","has coordinates","240979","2020-10-21","18:00:00",""
"4130580","9.9746","0.0011","23.085","0.003","16.7399","0.0019","90","","90.299","0.011","90","","3854.5","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C73 H22 O -","- C73 H22 O -","- C292 H88 O4 -","4","1","","Wu, Xin-Zhou; Yao, Yang-Rong; Chen, Miao-Miao; Tian, Han-Rui; Xiao, Jun; Xu, Yun-Yan; Lin, Min-Song; Abella, Laura; Tian, Cheng-Bo; Gao, Cong-Li; Zhang, Qianyan; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","Formation of Curvature Subunit of Carbon in Combustion.","Journal of the American Chemical Society","2016","138","30","9629","9633","10.1021/jacs.6b04898","","","1.54178","CuKα","","0.1772","0.0924","","","0.2336","0.3086","","","","","","0.999","","","","has coordinates,has disorder","240980","2020-10-21","18:00:00",""
"4130581","17.796","0.003","11.1352","0.0017","4.5144","0.0006","90","","90","","90","","894.6","0.2","99.97","0.11","99.97","0.11","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C2 H6 I2 O2 Pb S -","- C2 H6 I2 O2 Pb S -","- C8 H24 I8 O8 Pb4 S4 -","4","0.5","","Cao, Jing; Jing, Xiaojing; Yan, Juanzhu; Hu, Chengyi; Chen, Ruihao; Yin, Jun; Li, Jing; Zheng, Nanfeng","Identifying the Molecular Structures of Intermediates for Optimizing the Fabrication of High-Quality Perovskite Films.","Journal of the American Chemical Society","2016","138","31","9919","9926","10.1021/jacs.6b04924","","x-ray","0.71","MoKα","","0.1052","0.0617","","","0.1171","0.1406","","","","","","1.102","","","","has coordinates,has disorder","240981","2020-10-21","18:00:00",""
"4130582","20.641","0.002","12.4157","0.0009","19.0841","0.0019","90","","113.122","0.012","90","","4497.9","0.8","100.01","0.1","100.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C5 H25 I5 N3 O Pb S -","- C5 H24 I5 N3 O Pb S -","- C40 H192 I40 N24 O8 Pb8 S8 -","8","1","","Cao, Jing; Jing, Xiaojing; Yan, Juanzhu; Hu, Chengyi; Chen, Ruihao; Yin, Jun; Li, Jing; Zheng, Nanfeng","Identifying the Molecular Structures of Intermediates for Optimizing the Fabrication of High-Quality Perovskite Films.","Journal of the American Chemical Society","2016","138","31","9919","9926","10.1021/jacs.6b04924","","x-ray","1.54184","CuKα","","0.1056","0.0827","","","0.2","0.229","","","","","","1.18","","","","has coordinates","240982","2020-10-21","18:00:00",""
"4130583","4.6212","0.0006","27.219","0.007","26.841","0.004","90","","90","","90","","3376.2","1.1","100.01","0.1","100.01","0.1","","","","","","","","7","P b c 21","P 2c -2b","29","","","","- C6 H26 I8 N2 O2 Pb3 S2 -","- C6 H24 I8 N2 O2 Pb3 S2 -","- C24 H96 I32 N8 O8 Pb12 S8 -","4","1","","Cao, Jing; Jing, Xiaojing; Yan, Juanzhu; Hu, Chengyi; Chen, Ruihao; Yin, Jun; Li, Jing; Zheng, Nanfeng","Identifying the Molecular Structures of Intermediates for Optimizing the Fabrication of High-Quality Perovskite Films.","Journal of the American Chemical Society","2016","138","31","9919","9926","10.1021/jacs.6b04924","","x-ray","0.71","MoKα","","0.0915","0.0602","","","0.1566","0.1809","","","","","","1.06","","","","has coordinates","240983","2020-10-21","18:00:00",""
"4130584","4.53212","0.00012","18.2385","0.0005","11.5566","0.0004","90","","92.661","0.003","90","","954.23","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H7 I2 N O Pb -","- C3 H7 I2 N O Pb -","- C12 H28 I8 N4 O4 Pb4 -","4","1","","Cao, Jing; Jing, Xiaojing; Yan, Juanzhu; Hu, Chengyi; Chen, Ruihao; Yin, Jun; Li, Jing; Zheng, Nanfeng","Identifying the Molecular Structures of Intermediates for Optimizing the Fabrication of High-Quality Perovskite Films.","Journal of the American Chemical Society","2016","138","31","9919","9926","10.1021/jacs.6b04924","","","0.71073","MoKα","","0.0421","0.038","","","0.0843","0.088","","","","","","1.048","","","","has coordinates","240984","2020-10-21","18:00:00",""
"4130585","13.6978","0.0004","10.8575","0.0004","8.7607","0.0003","90","","90","","90","","1302.93","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H12 I2 O2 Pb S2 -","- C4 H12 I2 O2 Pb S2 -","- C16 H48 I8 O8 Pb4 S8 -","4","0.5","","Cao, Jing; Jing, Xiaojing; Yan, Juanzhu; Hu, Chengyi; Chen, Ruihao; Yin, Jun; Li, Jing; Zheng, Nanfeng","Identifying the Molecular Structures of Intermediates for Optimizing the Fabrication of High-Quality Perovskite Films.","Journal of the American Chemical Society","2016","138","31","9919","9926","10.1021/jacs.6b04924","","","0.71073","MoKα","","0.0307","0.0274","","","0.064","0.0663","","","","","","1.07","","","","has coordinates","240985","2020-10-21","18:00:00",""
"4130586","8.572","0.0001","11.0335","0.0001","17.8845","0.0002","90","","90","","90","","1691.5","0.03","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C84 H68 N4 O12 -","4","1","","Ni, Chunjie; Tong, Xiaofeng","Amine-Catalyzed Asymmetric (3 + 3) Annulations of β'-Acetoxy Allenoates: Enantioselective Synthesis of 4H-Pyrans.","Journal of the American Chemical Society","2016","138","25","7872","7875","10.1021/jacs.6b04935","","","1.54178","CuKα","","0.0282","0.028","","","0.0738","0.074","","","","","","1.072","","","","has coordinates","240986","2020-10-21","18:00:00",""
"4130587","14.7436","0.0011","20.14","0.0012","27.3915","0.0019","90","","104.347","0.005","90","","7879.9","0.9","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H19 Br N2 O3 -","- C22 H19 Br N2 O3 -","- C352 H304 Br16 N32 O48 -","16","4","","Ni, Chunjie; Tong, Xiaofeng","Amine-Catalyzed Asymmetric (3 + 3) Annulations of β'-Acetoxy Allenoates: Enantioselective Synthesis of 4H-Pyrans.","Journal of the American Chemical Society","2016","138","25","7872","7875","10.1021/jacs.6b04935","","","1.54178","CuKα","","0.0872","0.0686","","","0.1658","0.1809","","","","","","1.048","","","","has coordinates","240987","2020-10-21","18:00:00",""
"4130588","13.8029","0.0002","24.1019","0.0004","24.1387","0.0003","114.836","0.0007","97.8836","0.0007","103.484","0.0005","6830.69","0.18","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C220 H230 N10 -","- C220 H230 N10 -","- C220 H230 N10 -","1","0.5","","Okujima, Tetsuo; Ando, Chie; Agrawal, Saurabh; Matsumoto, Hiroki; Mori, Shigeki; Ohara, Keishi; Hisaki, Ichiro; Nakae, Takahiro; Takase, Masayoshi; Uno, Hidemitsu; Kobayashi, Nagao","Template Synthesis of Decaphyrin without Meso-Bridges: Cyclo[10]pyrrole.","Journal of the American Chemical Society","2016","138","24","7540","7543","10.1021/jacs.6b04941","","","0.8","synchrotron","","0.13","0.113","","","0.2844","0.2909","","","","","","1.206","","","","has coordinates,has disorder","240988","2020-10-21","18:00:00",""
"4130589","13.6161","0.0001","23.9402","0.0003","24.0353","0.0003","113.847","0.0007","105.411","0.0005","96.269","0.0005","6696.56","0.14","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C225 H230 N10 O5 -","- C225 H230 N10 O5 -","- C225 H230 N10 O5 -","1","0.5","","Okujima, Tetsuo; Ando, Chie; Agrawal, Saurabh; Matsumoto, Hiroki; Mori, Shigeki; Ohara, Keishi; Hisaki, Ichiro; Nakae, Takahiro; Takase, Masayoshi; Uno, Hidemitsu; Kobayashi, Nagao","Template Synthesis of Decaphyrin without Meso-Bridges: Cyclo[10]pyrrole.","Journal of the American Chemical Society","2016","138","24","7540","7543","10.1021/jacs.6b04941","","","0.8","synchrotron","","0.1064","0.0961","","","0.2377","0.2431","","","","","","0.932","","","","has coordinates,has disorder","240989","2020-10-21","18:00:00",""
"4130590","19.1189","0.0005","19.7795","0.0006","45.0588","0.0012","90","","93.421","0.002","90","","17009.2","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C150 H177 F36 N19 O20 P6 -","- C150 H177 F36.012 N19 O20 P6.002 -","- C600 H708 F144.048 N76 O80 P24.008 -","4","1","","Fernando, Isurika R.; Frasconi, Marco; Wu, Yilei; Liu, Wei-Guang; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Sliding-Ring Catenanes.","Journal of the American Chemical Society","2016","138","32","10214","10225","10.1021/jacs.6b04982","","","1.54178","CuKα","","0.0916","0.0749","","","0.2042","0.213","","","","","","1.041","","","","has coordinates","240990","2020-10-21","18:00:00",""
"4130591","20.1201","0.0009","26.1627","0.0012","26.488","0.0012","87.674","0.003","69.262","0.002","78.983","0.003","12793.9","1","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C298 H338 N16 O41 -","- C298 H338 N16 O41 -","- C596 H676 N32 O82 -","2","1","","Fernando, Isurika R.; Frasconi, Marco; Wu, Yilei; Liu, Wei-Guang; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Sliding-Ring Catenanes.","Journal of the American Chemical Society","2016","138","32","10214","10225","10.1021/jacs.6b04982","","","1.54178","CuKα","","0.1261","0.0849","","","0.2244","0.2608","","","","","","1.034","","","","has coordinates,has disorder","240991","2020-10-21","18:00:00",""
"4130592","21.9335","0.0005","13.4484","0.0003","27.6224","0.0006","90","","113.137","0.0007","90","","7492.5","0.3","100","2","100.03","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H82 F18 N6 O10 P3 -","- C76 H82 F18 N6 O10 P3 -","- C304 H328 F72 N24 O40 P12 -","4","0.5","","Fernando, Isurika R.; Frasconi, Marco; Wu, Yilei; Liu, Wei-Guang; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Sliding-Ring Catenanes.","Journal of the American Chemical Society","2016","138","32","10214","10225","10.1021/jacs.6b04982","","","1.54178","CuKα","","0.0411","0.0408","","","0.1037","0.1039","","","","","","1.047","","","","has coordinates,has disorder","240992","2020-10-21","18:00:00",""
"4130593","13.9493","0.0008","48.567","0.003","10.9451","0.0005","90","","112.934","0.003","90","","6828.9","0.7","100","2","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76 H82 N6 O10 -","- C76 H82 N6 O10 -","- C304 H328 N24 O40 -","4","1","","Fernando, Isurika R.; Frasconi, Marco; Wu, Yilei; Liu, Wei-Guang; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Sliding-Ring Catenanes.","Journal of the American Chemical Society","2016","138","32","10214","10225","10.1021/jacs.6b04982","","","1.54178","CuKα","","0.1465","0.1095","","","0.2433","0.2595","","","","","","1.067","","","","has coordinates,has disorder","240993","2020-10-21","18:00:00",""
"4130594","13.6489","0.0004","13.6489","0.0004","7.9023","0.0003","90","","90","","120","","1274.91","0.07","296","2","296","2","","","","","","","","6","P 3","P 3","143","[QT][GaBr4]","","","- C6 Br4 Cl2 Ga N2 S4 -","- C6 Br4 Cl2 Ga N2 S4 -","- C18 Br12 Cl6 Ga3 N6 S12 -","3","1","","Postulka, Lars; Winter, Stephen M.; Mihailov, Adam G.; Mailman, Aaron; Assoud, Abdeljalil; Robertson, Craig M.; Wolf, Bernd; Lang, Michael; Oakley, Richard T.","Spin Frustration in an Organic Radical Ion Salt Based on a Kagome-Coupled Chain Structure.","Journal of the American Chemical Society","2016","138","34","10738","10741","10.1021/jacs.6b05079","","","0.71073","MoKα","","0.0695","0.0436","","","0.079","0.0866","","","","","","1.105","","","","has coordinates","240994","2020-10-21","18:00:00",""
"4130595","7.2513","0.0009","9.3654","0.0013","20.598","0.003","95.768","0.006","98.328","0.007","104.441","0.006","1326.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H33 N5 O2 -","- C30 H33 N5 O2 -","- C60 H66 N10 O4 -","2","1","","Gallagher, Nolan M.; Bauer, Jackson J.; Pink, Maren; Rajca, Suchada; Rajca, Andrzej","High-Spin Organic Diradical with Robust Stability.","Journal of the American Chemical Society","2016","138","30","9377","9380","10.1021/jacs.6b05080","","","0.71073","MoKα","","0.205","0.0687","","","0.1368","0.1903","","","","","","0.911","","","","has coordinates","240995","2020-10-21","18:00:00",""
"4130596","14.855","0.003","4.084","0.0008","22.985","0.005","90","","96.594","0.009","90","","1385.2","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-BROMO BENZOIC ACID","","","- C7 H5 Br O2 -","- C7 H5 Br O2 -","- C56 H40 Br8 O16 -","8","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0542","0.0297","","","0.0603","0.0677","","","","","","1.02","","","","has coordinates","240996","2020-10-21","18:00:00",""
"4130597","3.7527","0.0007","6.2589","0.0013","30.957","0.006","90","","90.871","0.004","90","","727","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,4-dichloro benzoic acid","","","- C7 H4 Cl2 O2 -","- C7 H4 Cl2 O2 -","- C28 H16 Cl8 O8 -","4","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0616","0.0522","","","0.1556","0.1617","","","","","","1.087","","","","has coordinates","240997","2020-10-21","18:00:00",""
"4130598","14.781","0.004","3.8619","0.001","27.042","0.007","90","","101.453","0.01","90","","1512.9","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,3-dichloro benzoic acid","","","- C7 H4 Cl2 O2 -","- C7 H4 Cl2 O2 -","- C56 H32 Cl16 O16 -","8","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0665","0.0418","","","0.092","0.1027","","","","","","1.043","","","","has coordinates","240998","2020-10-21","18:00:00",""
"4130599","14.706","0.005","3.8955","0.0012","23.968","0.007","90","","101.413","0.013","90","","1345.9","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-CHLORO BENZOIC ACID","","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C56 H40 Cl8 O16 -","8","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0497","0.0385","","","0.0878","0.0938","","","","","","1.124","","","","has coordinates","240999","2020-10-21","18:00:00",""
"4130600","5.3117","0.0013","4.9506","0.0012","28.881","0.007","90","","92.615","0.006","90","","758.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,4-DICHLORO BENZAMIDE","","","- C7 H5 Cl2 N O -","- C7 H5 Cl2 N O -","- C28 H20 Cl8 N4 O4 -","4","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0474","0.0326","","","0.0729","0.0797","","","","","","1.049","","","","has coordinates","241001","2020-10-21","18:00:00",""
"4130601","7.143","0.002","9.196","0.003","21.941","0.007","90.307","0.005","99.162","0.005","91.812","0.006","1422.1","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H28 N2 O4 -","- C36 H28 N2 O4 -","- C72 H56 N4 O8 -","2","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.1997","0.0758","","","0.2282","0.3299","","","","","","0.884","","","","has coordinates","241002","2020-10-21","18:00:00",""
"4130602","4.6215","0.0015","8.019","0.003","17.024","0.006","90","","93.99","0.008","90","","629.4","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N'-bis(methyl)-1,4,5,8-naphthalenediimide","","","- C16 H10 N2 O4 -","- C16 H10 N2 O4 -","- C32 H20 N4 O8 -","2","0.5","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0759","0.0441","","","0.1354","0.1636","","","","","","1.016","","","","has coordinates","241003","2020-10-21","18:00:00",""
"4130603","13.605","0.004","7.147","0.003","28.422","0.01","90","","94.298","0.007","90","","2755.8","1.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C128 H136 N8 O16 -","8","2","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.2067","0.1201","","","0.2671","0.3025","","","","","","1.158","","","","has coordinates","241004","2020-10-21","18:00:00",""
"4130604","6.9622","0.0004","17.2426","0.0011","27.5809","0.0015","90","","90","","90","","3311","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C160 H144 N16 O32 -","8","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0534","0.0415","","","0.1081","0.1181","","","","","","1.056","","","","has coordinates","241005","2020-10-21","18:00:00",""
"4130605","8.04","0.003","4.3235","0.0011","29.008","0.009","90","","92.363","0.007","90","","1007.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N-bis(p-methyl phenyl)-1,4,5,8-naphthalenediimide","","","- C28 H18 N2 O4 -","- C28 H18 N2 O4 -","- C56 H36 N4 O8 -","2","0.5","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.1389","0.0625","","","0.1381","0.1758","","","","","","0.965","","","","has coordinates","241006","2020-10-21","18:00:00",""
"4130606","12.9943","0.0014","9.4749","0.0014","8.0539","0.001","90","","93.777","0.01","90","","989.4","0.2","99.98","0.12","99.98","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O -","- C11 H15 N O -","- C44 H60 N4 O4 -","4","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","x-ray","0.71073","MoKα","","0.1284","0.1196","","","0.3206","0.3249","","","","","","1.178","","","","has coordinates","241007","2020-10-21","18:00:00",""
"4130607","19.4469","0.0005","9.7388","0.0003","16.3359","0.0004","90","","90","","90","","3093.85","0.15","296","2","296","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C144 H168 N8 O16 -","8","2","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0641","0.0519","","","0.1199","0.1279","","","","","","1.072","","","","has coordinates","241008","2020-10-21","18:00:00",""
"4130608","4.8497","0.0005","12.3971","0.0011","22.147","0.002","77.914","0.006","87.481","0.006","85.096","0.005","1296.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","2","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.087","0.0676","","","0.158","0.1724","","","","","","1.078","","","","has coordinates","241009","2020-10-21","18:00:00",""
"4130609","10.3758","0.0003","13.2372","0.0004","19.6596","0.0005","90","","101.896","0.003","90","","2642.19","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 N O2 P2 Rh -","- C24 H44 N O2 P2 Rh -","- C96 H176 N4 O8 P8 Rh4 -","4","1","","Anaby, Aviel; Feller, Moran; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","Bottom-Up Construction of a CO2-Based Cycle for the Photocarbonylation of Benzene, Promoted by a Rhodium(I) Pincer Complex.","Journal of the American Chemical Society","2016","138","31","9941","9950","10.1021/jacs.6b05128","","","0.71073","MoKα","","0.0361","0.0277","","","0.0589","0.0608","","","","","","0.96","","","","has coordinates,has disorder","241010","2020-10-21","18:00:00",""
"4130610","11.417","0.002","29.009","0.005","15.317","0.003","90","","90","","90","","5072.9","1.6","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H42 N O P2 Rh -","- C24 H42 N O P2 Rh -","- C192 H336 N8 O8 P16 Rh8 -","8","2","","Anaby, Aviel; Feller, Moran; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","Bottom-Up Construction of a CO2-Based Cycle for the Photocarbonylation of Benzene, Promoted by a Rhodium(I) Pincer Complex.","Journal of the American Chemical Society","2016","138","31","9941","9950","10.1021/jacs.6b05128","","","0.71073","MoKα","","0.0447","0.0352","","","0.0772","0.0822","","","","","","0.987","","","","has coordinates,has disorder","241010","2020-10-21","18:00:00",""
"4130611","10.532","0.002","17.22","0.003","17.597","0.004","93.68","0.03","106.38","0.03","91.7","0.03","3051.8","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 N O P2 Rh -","- C30 H48 N O P2 Rh -","- C120 H192 N4 O4 P8 Rh4 -","4","2","","Anaby, Aviel; Feller, Moran; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","Bottom-Up Construction of a CO2-Based Cycle for the Photocarbonylation of Benzene, Promoted by a Rhodium(I) Pincer Complex.","Journal of the American Chemical Society","2016","138","31","9941","9950","10.1021/jacs.6b05128","","","0.71073","MoKα","","0.0391","0.0275","","","0.0575","0.0626","","","","","","1.022","","","","has coordinates","241010","2020-10-21","18:00:00",""
"4130612","16.7779","0.0011","16.331","0.001","27.0224","0.0015","90","","117.771","0.003","90","","6551.3","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 N O3 P2 Rh S -","- C30 H50 N O3 P2 Rh S -","- C240 H400 N8 O24 P16 Rh8 S8 -","8","2","","Anaby, Aviel; Feller, Moran; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","Bottom-Up Construction of a CO2-Based Cycle for the Photocarbonylation of Benzene, Promoted by a Rhodium(I) Pincer Complex.","Journal of the American Chemical Society","2016","138","31","9941","9950","10.1021/jacs.6b05128","","","0.71073","MoKα","","0.111","0.0511","","","0.0882","0.108","","","","","","1.004","","","","has coordinates,has disorder","241010","2020-10-21","18:00:00",""
"4130613","14.0248","0.0012","19.7867","0.0017","24.657","0.002","110.651","0.002","95.629","0.002","97.244","0.002","6276.3","0.9","90","","90","","","","","","","","","8","P -1","-P 1","2","","iridium vinyloxy","","- C60 H56 B F24 Ir N O3 P -","- C60 H56 B F24 Ir N O3 P -","- C240 H224 B4 F96 Ir4 N4 O12 P4 -","4","2","","Drover, Marcus W.; Love, Jennifer A.; Schafer, Laurel L.","Toward anti-Markovnikov 1-Alkyne O-Phosphoramidation: Exploiting Metal-Ligand Cooperativity in a 1,3-N,O-Chelated Cp*Ir(III) Complex.","Journal of the American Chemical Society","2016","138","27","8396","8399","10.1021/jacs.6b05143","","","0.71073","MoKα","","0.0695","0.0397","","","0.0837","0.0956","","","","","","1.058","","","","has coordinates,has disorder","241012","2020-10-21","18:00:00",""
"4130614","23.0081","0.001","20.1658","0.0008","12.8557","0.0006","90","","90","","90","","5964.7","0.4","90","","90","","","","","","","","","9","P n a 21","P 2c -2n","33","","pentamethylcyclopentadienylrhodium(III)phosphoramidatebarf","","- C55 H48 B Cl2 F24 N O3 P Rh -","- C55 H48 B Cl2 F24 N O3 P Rh -","- C220 H192 B4 Cl8 F96 N4 O12 P4 Rh4 -","4","1","","Drover, Marcus W.; Love, Jennifer A.; Schafer, Laurel L.","Toward anti-Markovnikov 1-Alkyne O-Phosphoramidation: Exploiting Metal-Ligand Cooperativity in a 1,3-N,O-Chelated Cp*Ir(III) Complex.","Journal of the American Chemical Society","2016","138","27","8396","8399","10.1021/jacs.6b05143","","x-ray","0.71073","MoKα","","0.0522","0.0411","","","0.0984","0.1085","","","","","","0.98","","","","has coordinates,has disorder","241012","2020-10-21","18:00:00",""
"4130615","17.1931","0.0014","20.3353","0.0017","19.7277","0.0016","90","","99.808","0.002","90","","6796.5","1","90","","90","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","iridium vinyloxy 2","","- C66 H60 B F24 Ir N O3 P -","- C66 H60 B F24 Ir N O3 P -","- C264 H240 B4 F96 Ir4 N4 O12 P4 -","4","1","","Drover, Marcus W.; Love, Jennifer A.; Schafer, Laurel L.","Toward anti-Markovnikov 1-Alkyne O-Phosphoramidation: Exploiting Metal-Ligand Cooperativity in a 1,3-N,O-Chelated Cp*Ir(III) Complex.","Journal of the American Chemical Society","2016","138","27","8396","8399","10.1021/jacs.6b05143","","","0.71073","MoKα","","0.0943","0.0695","","","0.1305","0.1476","","","","","","1.129","","","","has coordinates,has disorder","241012","2020-10-21","18:00:00",""
"4130616","9.898","0.005","19.451","0.009","9.138","0.005","90","","99.47","0.009","90","","1735.3","1.5","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-2,6-dimethylphenyl O-ethoxy, O-vinylphenyl phosphoramidate","","- C18 H22 N O3 P -","- C18 H22 N O3 P -","- C72 H88 N4 O12 P4 -","4","1","","Drover, Marcus W.; Love, Jennifer A.; Schafer, Laurel L.","Toward anti-Markovnikov 1-Alkyne O-Phosphoramidation: Exploiting Metal-Ligand Cooperativity in a 1,3-N,O-Chelated Cp*Ir(III) Complex.","Journal of the American Chemical Society","2016","138","27","8396","8399","10.1021/jacs.6b05143","","","0.71073","MoKα","","0.0922","0.0487","","","0.1132","0.1392","","","","","","1.029","","","","has coordinates","241012","2020-10-21","18:00:00",""
"4130617","7.8217","0.0007","6.0909","0.0005","14.503","0.0012","90","","91.2816","0.0017","90","","690.77","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Br N O -","- C17 H14 Br N O -","- C34 H28 Br2 N2 O2 -","2","1","","Zhao, Chenfei; Chen, Shawn B.; Seidel, Daniel","Direct Formation of Oxocarbenium Ions under Weakly Acidic Conditions: Catalytic Enantioselective Oxa-Pictet-Spengler Reactions.","Journal of the American Chemical Society","2016","138","29","9053","9056","10.1021/jacs.6b05225","","","0.71073","MoKα","","0.048","0.0377","","","0.0715","0.0741","","","","","","1.199","","","","has coordinates","241013","2020-10-21","18:00:00",""
"4130618","12.5594","0.0004","17.4038","0.0005","20.1905","0.0006","90","","102.08","0.003","90","","4315.5","0.2","150","2","150.15","","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C89 H89 B F24 N4 O Ru Zn -","- C89 H89 B F24 N4 O Ru Zn -","- C178 H178 B2 F48 N8 O2 Ru2 Zn2 -","2","1","","Riddlestone, Ian M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Activation of H2 over the Ru-Zn Bond in the Transition Metal-Lewis Acid Heterobimetallic Species [Ru(IPr)2(CO)ZnEt](.).","Journal of the American Chemical Society","2016","138","35","11081","11084","10.1021/jacs.6b05243","","x-ray","0.71073","MoKα","","0.0533","0.042","","","0.074","0.0783","","","","","","1.026","","","","has coordinates,has disorder","241014","2020-10-21","18:00:00",""
"4130619","17.00002","0.00008","25.77166","0.00011","20.59225","0.00009","90","","100.064","0.0004","90","","8883.02","0.07","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C89 H93 B F24 N4 O Ru Zn -","- C89 H93 B F24 N4 O Ru Zn -","- C356 H372 B4 F96 N16 O4 Ru4 Zn4 -","4","1","","Riddlestone, Ian M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Activation of H2 over the Ru-Zn Bond in the Transition Metal-Lewis Acid Heterobimetallic Species [Ru(IPr)2(CO)ZnEt](.).","Journal of the American Chemical Society","2016","138","35","11081","11084","10.1021/jacs.6b05243","","x-ray","1.54184","CuKα","","0.0406","0.0377","","","0.0958","0.0983","","","","","","1.028","","","","has coordinates,has disorder","241014","2020-10-21","18:00:00",""
"4130620","16.96745","0.00008","25.70693","0.0001","20.56727","0.00009","90","","98.9877","0.0004","90","","8860.91","0.07","150.01","0.1","150.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C89 H91 B F24 N4 O Ru Zn -","- C89 H91 B F24 N4 O Ru Zn -","- C356 H364 B4 F96 N16 O4 Ru4 Zn4 -","4","1","","Riddlestone, Ian M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Activation of H2 over the Ru-Zn Bond in the Transition Metal-Lewis Acid Heterobimetallic Species [Ru(IPr)2(CO)ZnEt](.).","Journal of the American Chemical Society","2016","138","35","11081","11084","10.1021/jacs.6b05243","","x-ray","1.54184","CuKα","","0.0435","0.0413","","","0.1068","0.109","","","","","","1.037","","","","has coordinates,has disorder","241014","2020-10-21","18:00:00",""
"4130621","21.04374","0.00012","20.82587","0.00009","22.77178","0.00013","90","","116.888","0.0007","90","","8900.96","0.1","150","2","150.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C89 H92 B F24 N5 O Ru Zn -","- C89 H92 B F24 N5 O Ru Zn -","- C356 H368 B4 F96 N20 O4 Ru4 Zn4 -","4","1","","Riddlestone, Ian M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Activation of H2 over the Ru-Zn Bond in the Transition Metal-Lewis Acid Heterobimetallic Species [Ru(IPr)2(CO)ZnEt](.).","Journal of the American Chemical Society","2016","138","35","11081","11084","10.1021/jacs.6b05243","","x-ray","1.54184","CuKα","","0.0419","0.0388","","","0.1015","0.1045","","","","","","1.025","","","","has coordinates,has disorder","241014","2020-10-21","18:00:00",""
"4130622","21.2832","0.0004","21.2832","0.0004","21.2832","0.0004","90","","90","","90","","9640.7","0.3","150","2","150","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","¡®MOF-950¡¯","¡®MOF-950¡¯","","- C30 H18 N0 O13 Zn4 -","- C30 H18 O13 Zn4 -","- C120 H72 O52 Zn16 -","4","0.166667","","Jiang, Juncong; Furukawa, Hiroyasu; Zhang, Yue-Biao; Yaghi, Omar M.","High Methane Storage Working Capacity in Metal-Organic Frameworks with Acrylate Links.","Journal of the American Chemical Society","2016","138","32","10244","10251","10.1021/jacs.6b05261","","","1.54178","CuKα","","0.0999","0.0824","","","0.2271","0.2495","","","","","","1.005","","","","has coordinates,has disorder","241015","2020-10-21","18:00:00",""
"4130623","9.5249","0.0003","5.8864","0.0002","14.3094","0.0004","90","","100.719","0.003","90","","788.29","0.04","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 Cl3 N -","- C16 H16 Cl3 N -","- C32 H32 Cl6 N2 -","2","1","","Liu, Jie; Cao, Chao-Guo; Sun, Hong-Bao; Zhang, Xia; Niu, Dawen","Catalytic Asymmetric Umpolung Allylation of Imines.","Journal of the American Chemical Society","2016","138","40","13103","13106","10.1021/jacs.6b05288","","x-ray","1.54184","CuKα","","0.0493","0.0481","","","0.126","0.1281","","","","","","1.057","","","","has coordinates","241016","2020-10-21","18:00:00",""
"4130624","9.903","0.001","9.903","0.001","15.72","0.002","90","","90","","90","","1541.7","0.3","296","1","296","1","","","","","","","","7","I 4/m c m","-I 4 2c","140","","","","- C8.84 H8 F5 N4 Nb Ni O2.68 -","- C8.84 H8 F5 N4 Nb Ni O2.68 -","- C35.36 H32 F20 N16 Nb4 Ni4 O10.72 -","4","0.125","","Bhatt, Prashant M.; Belmabkhout, Youssef; Cadiau, Amandine; Adil, Karim; Shekhah, Osama; Shkurenko, Aleksander; Barbour, Leonard J.; Eddaoudi, Mohamed","A Fine-Tuned Fluorinated MOF Addresses the Needs for Trace CO2 Removal and Air Capture Using Physisorption.","Journal of the American Chemical Society","2016","138","29","9301","9307","10.1021/jacs.6b05345","","","1.54178","CuKα","","0.0784","0.0712","","","0.1836","0.1889","","","","","","1.039","","","","has coordinates","241017","2020-10-21","18:00:00",""
"4130625","9.943","0.004","9.943","0.004","15.764","0.006","90","","90","","90","","1558.5","1.1","295.5","0.1","295.5","0.1","","","","","","","","7","I 4/m c m","-I 4 2c","140","","","","- C8 H12 F5 N4 Nb Ni O3 -","- C8 H8 F5 N4 Nb Ni O3 -","- C32 H32 F20 N16 Nb4 Ni4 O12 -","4","0.125","","Bhatt, Prashant M.; Belmabkhout, Youssef; Cadiau, Amandine; Adil, Karim; Shekhah, Osama; Shkurenko, Aleksander; Barbour, Leonard J.; Eddaoudi, Mohamed","A Fine-Tuned Fluorinated MOF Addresses the Needs for Trace CO2 Removal and Air Capture Using Physisorption.","Journal of the American Chemical Society","2016","138","29","9301","9307","10.1021/jacs.6b05345","","","0.71073","MoKα","","0.0699","0.0325","","","0.0683","0.077","","","","","","0.977","","","","has coordinates,has disorder","241018","2020-10-21","18:00:00",""
"4130626","13.7385","0.0006","19.5301","0.0007","29.6719","0.0014","90","","96.687","0.002","90","","7907.2","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","L2CuOTf(THF)2","","","- C91 H98 Cu F3 O5 P6 S -","- C91 H94 Cu F3 O5 P6 S -","- C364 H376 Cu4 F12 O20 P24 S4 -","4","1","","Zall, Christopher M.; Linehan, John C.; Appel, Aaron M.","Triphosphine-Ligated Copper Hydrides for CO2 Hydrogenation: Structure, Reactivity, and Thermodynamic Studies.","Journal of the American Chemical Society","2016","138","31","9968","9977","10.1021/jacs.6b05349","","","0.71073","MoKα","","0.1664","0.0701","","","0.1356","0.1727","","","","","","1.003","","","","has coordinates","241019","2020-10-21","18:00:00",""
"4130627","21.6406","0.0013","21.6406","0.0013","16.2448","0.0011","90","","90","","120","","6588.5","0.7","123","2","123","2","","","","","","","","4","P 3 1 2","P 3 2","149","[(p3Cu)2H]PF6","","","- C82 H79 Cu2 P6 -","- C81.974 H78.9754 Cu2 P5.998 -","- C245.922 H236.926 Cu6 P17.994 -","3","0.5","","Zall, Christopher M.; Linehan, John C.; Appel, Aaron M.","Triphosphine-Ligated Copper Hydrides for CO2 Hydrogenation: Structure, Reactivity, and Thermodynamic Studies.","Journal of the American Chemical Society","2016","138","31","9968","9977","10.1021/jacs.6b05349","","","0.71073","MoKα","","0.1273","0.0698","","","0.1805","0.223","","","","","","1.03","","","","has coordinates,has disorder","241020","2020-10-21","18:00:00",""
"4130628","14.0768","0.0008","19.6513","0.0011","15.0068","0.0008","90","","115.83","0.002","90","","3736.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(LCuH)2","","","- C86 H86 Cu2 N2 P6 -","- C86 H86 Cu2 N2 P6 -","- C172 H172 Cu4 N4 P12 -","2","0.5","","Zall, Christopher M.; Linehan, John C.; Appel, Aaron M.","Triphosphine-Ligated Copper Hydrides for CO2 Hydrogenation: Structure, Reactivity, and Thermodynamic Studies.","Journal of the American Chemical Society","2016","138","31","9968","9977","10.1021/jacs.6b05349","","","0.71073","MoKα","","0.0889","0.0541","","","0.1178","0.1295","","","","","","1.021","","","","has coordinates,has disorder","241021","2020-10-21","18:00:00",""
"4130629","15.00712","0.0002","16.8669","0.0002","20.439","0.0003","73.1727","0.0012","68.6423","0.0012","80.3164","0.0011","4600.53","0.12","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C92 H76 B6 Co2 F24 N19 O0.5 -","- C92 H76 B6 Co2 F24 N19 O0.5 -","- C184 H152 B12 Co4 F48 N38 O -","2","1","","Burke, Michael J.; Nichol, Gary S.; Lusby, Paul J.","Orthogonal Selection and Fixing of Coordination Self-Assembly Pathways for Robust Metallo-organic Ensemble Construction.","Journal of the American Chemical Society","2016","138","29","9308","9315","10.1021/jacs.6b05364","","x-ray","1.54184","CuKα","","0.0584","0.0552","","","0.1498","0.1539","","","","","","1.027","","","","has coordinates,has disorder","241022","2020-10-21","18:00:00",""
"4130630","17.3577","0.0003","17.3577","0.0003","104.263","0.002","90","","90","","120","","27204.8","0.8","120","","120","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C96 H84 B6 Co2 F24 N18 -","- C84 H66 B6 Co2 F24 N12 -","- C1008 H792 B72 Co24 F288 N144 -","12","0.333333","","Burke, Michael J.; Nichol, Gary S.; Lusby, Paul J.","Orthogonal Selection and Fixing of Coordination Self-Assembly Pathways for Robust Metallo-organic Ensemble Construction.","Journal of the American Chemical Society","2016","138","29","9308","9315","10.1021/jacs.6b05364","","x-ray","1.54178","CuKα","","0.0865","0.0769","","","0.2137","0.2237","","","","","","1.047","","","","has coordinates","241023","2020-10-21","18:00:00",""
"4130631","20.5996","0.0002","20.5996","0.0002","195.2193","0.0018","90","","90","","120","","71741.6","1.2","120","","120","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C168 H132 Co4 F72 N24 P12 -","- C168 H132 Co4 F72.0002 N24 P12.5 -","- C2016 H1584 Co48 F864.002 N288 P150 -","12","0.333333","","Burke, Michael J.; Nichol, Gary S.; Lusby, Paul J.","Orthogonal Selection and Fixing of Coordination Self-Assembly Pathways for Robust Metallo-organic Ensemble Construction.","Journal of the American Chemical Society","2016","138","29","9308","9315","10.1021/jacs.6b05364","","x-ray","1.54184","CuKα","","0.1153","0.0911","","","0.2689","0.2877","","","","","","1.069","","","","has coordinates,has disorder","241024","2020-10-21","18:00:00",""
"4130632","18.6723","0.0003","38.7772","0.0008","38.7947","0.0006","90","","92.084","0.0016","90","","28071.1","0.9","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C250 H231 Co4 F72 N65 P12 -","- C192 H144 Co4 F72 N36 P12 -","- C768 H576 Co16 F288 N144 P48 -","4","1","","Burke, Michael J.; Nichol, Gary S.; Lusby, Paul J.","Orthogonal Selection and Fixing of Coordination Self-Assembly Pathways for Robust Metallo-organic Ensemble Construction.","Journal of the American Chemical Society","2016","138","29","9308","9315","10.1021/jacs.6b05364","","x-ray","1.54184","CuKα","","0.204","0.1725","","","0.4398","0.4577","","","","","","3.301","","","","has coordinates,has disorder","241025","2020-10-21","18:00:00",""
"4130633","13.79","","14.11","","18.58","","92.46","","97.97","","86.84","","3572.6","","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H48 Mn12 O50 -","- C39 H48 Mn12 O50 -","- C78 H96 Mn24 O100 -","2","1","","Espín, Jordi; Zarzuela, Ricardo; Statuto, Nahuel; Juanhuix, Jordi; Maspoch, Daniel; Imaz, Inhar; Chudnovsky, Eugene; Tejada, Javier","Narrowing the Zero-Field Tunneling Resonance by Decreasing the Crystal Symmetry of Mn12 Acetate.","Journal of the American Chemical Society","2016","138","29","9065","9068","10.1021/jacs.6b05380","","","0.71073","synchrotronradiation","","0.1271","0.0866","","","0.2375","0.2725","","","","","","1.011","","","","has coordinates,has disorder","241026","2020-10-21","18:00:00",""
"4130634","26.389","0.0006","26.389","0.0006","8.1302","0.0002","90","","90","","90","","5661.7","0.2","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C29 H41 N O2 P2 Ru -","- C29 H41 N O2 P2 Ru -","- C232 H328 N8 O16 P16 Ru8 -","8","1","","Xie, Yinjun; Ben-David, Yehoshoa; Shimon, Linda J. W.; Milstein, David","Highly Efficient Process for Production of Biofuel from Ethanol Catalyzed by Ruthenium Pincer Complexes.","Journal of the American Chemical Society","2016","138","29","9077","9080","10.1021/jacs.6b05433","","","0.71073","MoKα","","0.0255","0.0236","","","0.0524","0.0533","","","","","","1.022","","","","has coordinates","241027","2020-10-21","18:00:00",""
"4130635","9.9178","0.0012","23.191","0.003","8.899","0.0011","90","","90","","90","","2046.8","0.4","220","2","220","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H27 B2 N O4 -","- C19 H27 B2 N O4 -","- C76 H108 B8 N4 O16 -","4","1","","Mfuh, Adelphe M.; Nguyen, Vu T.; Chhetri, Bhuwan; Burch, Jessica E.; Doyle, John D.; Nesterov, Vladimir N.; Arman, Hadi D.; Larionov, Oleg V.","Additive- and Metal-Free, Predictably 1,2- and 1,3-Regioselective, Photoinduced Dual C-H/C-X Borylation of Haloarenes.","Journal of the American Chemical Society","2016","138","27","8408","8411","10.1021/jacs.6b05436","","","0.71073","MoKα","","0.0659","0.0564","","","0.1325","0.1398","","","","","","1.006","","","","has coordinates,has disorder","241028","2020-10-21","18:00:00",""
"4130636","10.9964","0.0006","14.6674","0.0005","12.8154","0.0006","90","","92.279","0.004","90","","2065.34","0.16","98","","98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 B2 F3 O4 -","- C19 H27 B2 F3 O4 -","- C76 H108 B8 F12 O16 -","4","1","","Mfuh, Adelphe M.; Nguyen, Vu T.; Chhetri, Bhuwan; Burch, Jessica E.; Doyle, John D.; Nesterov, Vladimir N.; Arman, Hadi D.; Larionov, Oleg V.","Additive- and Metal-Free, Predictably 1,2- and 1,3-Regioselective, Photoinduced Dual C-H/C-X Borylation of Haloarenes.","Journal of the American Chemical Society","2016","138","27","8408","8411","10.1021/jacs.6b05436","","","0.71073","MoKα","","0.0705","0.0636","","","0.1348","0.1397","","","","","","1.03","","","","has coordinates","241029","2020-10-21","18:00:00",""
"4130637","13.1779","0.0005","13.6565","0.0006","14.0817","0.0005","104.079","0.003","98.934","0.003","114.197","0.004","2146.96","0.18","98","","98","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 B2 F3 O5 -","- C19 H27 B2 F3 O5 -","- C76 H108 B8 F12 O20 -","4","2","","Mfuh, Adelphe M.; Nguyen, Vu T.; Chhetri, Bhuwan; Burch, Jessica E.; Doyle, John D.; Nesterov, Vladimir N.; Arman, Hadi D.; Larionov, Oleg V.","Additive- and Metal-Free, Predictably 1,2- and 1,3-Regioselective, Photoinduced Dual C-H/C-X Borylation of Haloarenes.","Journal of the American Chemical Society","2016","138","27","8408","8411","10.1021/jacs.6b05436","","x-ray","0.71073","MoKα","","0.0596","0.043","","","0.0916","0.0968","","","","","","1.024","","","","has coordinates","241030","2020-10-21","18:00:00",""
"4130638","12.4162","0.0005","14.0091","0.0006","19.4439","0.0008","90","","90","","90","","3382.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H24 I2 P2 Pt -","- C8 H24 I2 P2 Pt -","- C64 H192 I16 P16 Pt8 -","8","2","","Levin, Mark D.; Kaphan, David M.; Hong, Cynthia M.; Bergman, Robert G.; Raymond, Kenneth N.; Toste, F. Dean","Scope and Mechanism of Cooperativity at the Intersection of Organometallic and Supramolecular Catalysis.","Journal of the American Chemical Society","2016","138","30","9682","9693","10.1021/jacs.6b05442","","","0.71073","MoKα","","0.0703","0.0655","","","0.1604","0.1632","","","","","","1.012","","","","has coordinates","241031","2020-10-21","18:00:00",""
"4130639","19.9478","0.001","60.836","0.003","19.5518","0.0011","90","","118.988","0.002","90","","20754.5","1.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","cmh_iii_dmk3_a","","","- C152 H140 Au Ga4 K8 N12 O52 P2 -","- C149.976 H101.928 Au0.747 Ga4 K8 N12 O51 P1.494 -","- C599.904 H407.712 Au2.988 Ga16 K32 N48 O204 P5.976 -","4","1","","Levin, Mark D.; Kaphan, David M.; Hong, Cynthia M.; Bergman, Robert G.; Raymond, Kenneth N.; Toste, F. Dean","Scope and Mechanism of Cooperativity at the Intersection of Organometallic and Supramolecular Catalysis.","Journal of the American Chemical Society","2016","138","30","9682","9693","10.1021/jacs.6b05442","","","1.2276","synchrotron","","0.1738","0.157","","","0.3701","0.3814","","","","","","1.111","","","","has coordinates","241032","2020-10-21","18:00:00",""
"4130640","15.17028","0.00012","22.32611","0.00016","29.9089","0.0003","90","","102.991","0.0009","90","","9870.67","0.15","100","0.1","100","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C93 H128 Cl2 Cu4 K N8 O7 S -","- C93 H128 Cl2 Cu4 K N8 O7 S -","- C372 H512 Cl8 Cu16 K4 N32 O28 S4 -","4","2","","Johnson, Brittany J.; Antholine, William E.; Lindeman, Sergey V.; Graham, Michael J.; Mankad, Neal P.","A One-Hole Cu<sub>4</sub>S Cluster with N<sub>2</sub>O Reductase Activity: A Structural and Functional Model for Cu<sub>Z</sub>.","Journal of the American Chemical Society","2016","138","40","13107","13110","10.1021/jacs.6b05480","","x-ray","1.54184","CuKα","","0.086","0.0761","","","0.2148","0.227","","","","","","1.014","","","","has coordinates,has disorder","241033","2020-10-21","18:00:00",""
"4130641","22.9942","0.0012","22.9942","0.0012","15.5128","0.0008","90","","90","","90","","8202.1","0.7","200","2","200","2","","","","","","","","5","I 41/a :2","-I 4ad","88","CuS2NCN2","","","- C38 H46 Cu N4 S2 -","- C38 H46 Cu N4 S2 -","- C304 H368 Cu8 N32 S16 -","8","0.5","","Johnson, Brittany J.; Antholine, William E.; Lindeman, Sergey V.; Graham, Michael J.; Mankad, Neal P.","A One-Hole Cu<sub>4</sub>S Cluster with N<sub>2</sub>O Reductase Activity: A Structural and Functional Model for Cu<sub>Z</sub>.","Journal of the American Chemical Society","2016","138","40","13107","13110","10.1021/jacs.6b05480","","","0.71073","","","0.1106","0.0666","","","0.1967","0.2236","","","","","","1.404","","","","has coordinates","241033","2020-10-21","18:00:00",""
"4130642","13.5285","0.0018","8.4191","0.0012","15.857","0.002","90","","90","","90","","1806.1","0.4","90","","90","","","","","","","","","3","P m c 21","P 2c -2","26","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C96 H80 O16 -","4","1","","Leung, Franco King-Chi; Ishiwari, Fumitaka; Kajitani, Takashi; Shoji, Yoshiaki; Hikima, Takaaki; Takata, Masaki; Saeki, Akinori; Seki, Shu; Yamada, Yoichi M. A.; Fukushima, Takanori","Supramolecular Scaffold for Tailoring the Two-Dimensional Assembly of Functional Molecular Units into Organic Thin Films.","Journal of the American Chemical Society","2016","138","36","11727","11733","10.1021/jacs.6b05513","","","0.71073","MoKα","","0.0394","0.0371","","","0.096","0.0975","","","","","","1.066","","","","has coordinates","241034","2020-10-21","18:00:00",""
"4130643","24.5669","0.0003","13.815","0.0001","18.1309","0.0002","90","","111.014","0.001","90","","5744.23","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H40 P2 S15 V -","- C57 H40 P2 S15 V -","- C228 H160 P8 S60 V4 -","4","1","","Atzori, Matteo; Morra, Elena; Tesi, Lorenzo; Albino, Andrea; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta","Quantum Coherence Times Enhancement in Vanadium(IV)-based Potential Molecular Qubits: the Key Role of the Vanadyl Moiety.","Journal of the American Chemical Society","2016","138","35","11234","11244","10.1021/jacs.6b05574","","","1.54184","CuKα","","0.0431","0.0372","","","0.091","0.0953","","","","","","1.05","","","","has coordinates","241035","2020-10-21","18:00:00",""
"4130644","20.4747","0.0005","12.7283","0.0004","20.6032","0.0005","90","","95.297","0.002","90","","5346.4","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 O P2 S10 V -","- C54 H40 O P2 S10 V -","- C216 H160 O4 P8 S40 V4 -","4","0.5","","Atzori, Matteo; Morra, Elena; Tesi, Lorenzo; Albino, Andrea; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta","Quantum Coherence Times Enhancement in Vanadium(IV)-based Potential Molecular Qubits: the Key Role of the Vanadyl Moiety.","Journal of the American Chemical Society","2016","138","35","11234","11244","10.1021/jacs.6b05574","","","1.54184","CuKα","","0.1369","0.0587","","","0.0678","0.0875","","","","","","1.024","","","","has coordinates","241036","2020-10-21","18:00:00",""
"4130645","19.9651","0.0003","12.5335","0.0001","20.8994","0.0002","90","","94.26","0.001","90","","5215.26","0.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 Mo O P2 S10 -","- C54 H40 Mo O P2 S10 -","- C216 H160 Mo4 O4 P8 S40 -","4","0.5","","Atzori, Matteo; Morra, Elena; Tesi, Lorenzo; Albino, Andrea; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta","Quantum Coherence Times Enhancement in Vanadium(IV)-based Potential Molecular Qubits: the Key Role of the Vanadyl Moiety.","Journal of the American Chemical Society","2016","138","35","11234","11244","10.1021/jacs.6b05574","","","1.54184","CuKα","","0.0355","0.028","","","0.0624","0.0683","","","","","","1.106","","","","has coordinates","241037","2020-10-21","18:00:00",""
"4130646","12.7155","0.0003","13.1946","0.0003","14.1206","0.0005","115.945","0.003","97.484","0.002","106.847","0.002","1945.83","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H20 P S15 V -","- C33 H20 P S15 V -","- C66 H40 P2 S30 V2 -","2","1","","Atzori, Matteo; Morra, Elena; Tesi, Lorenzo; Albino, Andrea; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta","Quantum Coherence Times Enhancement in Vanadium(IV)-based Potential Molecular Qubits: the Key Role of the Vanadyl Moiety.","Journal of the American Chemical Society","2016","138","35","11234","11244","10.1021/jacs.6b05574","","","1.54184","CuKα","","0.0346","0.0267","","","0.0658","0.069","","","","","","1.033","","","","has coordinates","241038","2020-10-21","18:00:00",""
"4130647","12.6258","0.0011","23.1782","0.0018","20.3231","0.0016","90","","99.749","0.003","90","","5861.5","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H58 N6 O6 -","- C64 H58 N6 O6 -","- C256 H232 N24 O24 -","4","1","","Martinez-Cuezva, Alberto; Lopez-Leonardo, Carmen; Bautista, Delia; Alajarin, Mateo; Berna, Jose","Stereocontrolled Synthesis of β-Lactams within [2]Rotaxanes: Showcasing the Chemical Consequences of the Mechanical Bond.","Journal of the American Chemical Society","2016","138","28","8726","8729","10.1021/jacs.6b05581","","","1.54178","CuKα","","0.0547","0.0492","","","0.1269","0.1321","","","","","","1.037","","","","has coordinates,has disorder","241039","2020-10-21","18:00:00",""
"4130648","23.4939","0.0013","23.4954","0.0014","31.9724","0.0018","90","","90","","90","","17648.7","1.7","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","UNLPF_14","","","- C100 H52 In2 Mn N4 O17 -","- C100 H54.02 In2 Mn N4 O17 -","- C200 H108.04 In4 Mn2 N8 O34 -","2","0.25","","Johnson, Jacob A.; Petersen, Brenna M.; Kormos, Attila; Echeverría, Elena; Chen, Yu-Sheng; Zhang, Jian","A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","32","10293","10298","10.1021/jacs.6b05626","","","0.41328","synchrotron","","0.1666","0.0832","","","0.2164","0.2593","","","","","","0.946","","","","has coordinates","241040","2020-10-21","18:00:00",""
"4130649","23.4897","0.0013","23.4895","0.0013","31.9645","0.0018","90","","90","","90","","17636.8","1.7","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","UNLPF_16","","","- C100 H52 Fe In2 N4 O17 -","- C100 H54.02 Fe In2 N4 O17 -","- C200 H108.04 Fe2 In4 N8 O34 -","2","0.25","","Johnson, Jacob A.; Petersen, Brenna M.; Kormos, Attila; Echeverría, Elena; Chen, Yu-Sheng; Zhang, Jian","A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","32","10293","10298","10.1021/jacs.6b05626","","","0.41328","synchrotron","","0.1868","0.0963","","","0.2772","0.3282","","","","","","0.991","","","","has coordinates","241041","2020-10-21","18:00:00",""
"4130650","15.6602","0.0017","18.7951","0.0019","7.4123","0.0008","90","","99.029","0.003","90","","2154.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2-(4-chlorophenyl)-4-phenyl-1-((4-(trifluoromethyl)phenyl)sulfonyl)pyrrolidine","","","- C23 H19 Cl F3 N O2 S -","- C23 H19 Cl F3 N O2 S -","- C92 H76 Cl4 F12 N4 O8 S4 -","4","1","","Johnson, Jacob A.; Petersen, Brenna M.; Kormos, Attila; Echeverría, Elena; Chen, Yu-Sheng; Zhang, Jian","A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","32","10293","10298","10.1021/jacs.6b05626","","","0.41328","synchrotron","","0.0968","0.0613","","","0.1572","0.1814","","","","","","1.142","","","","has coordinates,has disorder","241042","2020-10-21","18:00:00",""
"4130651","23.767","0.01","23.767","","29.459","0.012","90","","90","","90","","16641","10","100","2","100","2","","","","","","","","7","P n n m","-P 2 2n","58","UNLPF_13","","","- C100 H52 Cl In2 Mn N4 O16 -","- C100 H52 Cl In2 Mn N4 O16 -","- C200 H104 Cl2 In4 Mn2 N8 O32 -","2","0.25","","Johnson, Jacob A.; Petersen, Brenna M.; Kormos, Attila; Echeverría, Elena; Chen, Yu-Sheng; Zhang, Jian","A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","32","10293","10298","10.1021/jacs.6b05626","","","0.47398","synchrotron","","0.1025","0.0579","","","0.1416","0.156","","","","","","0.894","","","","has coordinates","241043","2020-10-21","18:00:00",""
"4130652","14.1702","0.0005","15.5119","0.0006","9.5178","0.0004","90","","105.328","0.0011","90","","2017.66","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl N O2 S -","- C23 H22 Cl N O2 S -","- C92 H88 Cl4 N4 O8 S4 -","4","1","","Johnson, Jacob A.; Petersen, Brenna M.; Kormos, Attila; Echeverría, Elena; Chen, Yu-Sheng; Zhang, Jian","A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","32","10293","10298","10.1021/jacs.6b05626","","","0.41328","synchrotron","","0.0871","0.0648","","","0.2066","0.2296","","","","","","1.556","","","","has coordinates,has disorder","241044","2020-10-21","18:00:00",""
"4130653","23.412","0.006","23.428","0.006","32.108","0.009","90","","90","","90","","17611","8","296","2","296","2","","","","","","","","7","P n n m","-P 2 2n","58","UNLPF-15","","","- C100 H52 Cl Fe In2 N4 O16 -","- C100 H52 Cl Fe In2 N4 O16 -","- C200 H104 Cl2 Fe2 In4 N8 O32 -","2","0.25","","Johnson, Jacob A.; Petersen, Brenna M.; Kormos, Attila; Echeverría, Elena; Chen, Yu-Sheng; Zhang, Jian","A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","32","10293","10298","10.1021/jacs.6b05626","","","0.47398","synchrotron","","0.1857","0.0803","","","0.2065","0.2552","","","","","","0.93","","","","has coordinates","241045","2020-10-21","18:00:00",""
"4130654","11.2356","0.0009","12.9918","0.001","11.3681","0.001","90","","154.939","0.004","90","","702.9","0.14","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Me2TDPP","","- C16 H12 N2 O2 S2 -","- C16 H12 N2 O2 S2 -","- C32 H24 N4 O4 S4 -","2","0.5","","Mauck, Catherine M.; Hartnett, Patrick E.; Margulies, Eric A.; Ma, Lin; Miller, Claire E.; Schatz, George C.; Marks, Tobin J.; Wasielewski, Michael R.","Singlet Fission via an Excimer-Like Intermediate in 3,6-Bis(thiophen-2-yl)diketopyrrolopyrrole Derivatives.","Journal of the American Chemical Society","2016","138","36","11749","11761","10.1021/jacs.6b05627","","","1.54178","CuKα","","0.0324","0.032","","","0.0942","0.0945","","","","","","1.124","","","","has coordinates","241046","2020-10-21","18:00:00",""
"4130655","16.653","0.003","22.759","0.005","24.195","0.005","76.33","0.03","78.45","0.03","82.76","0.03","8700","3","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C93 H123 N3 O15 -","- C93 H123 N3 O15 -","- C372 H492 N12 O60 -","4","2","","Li, Xuesong; Markandeya, Nagula; Jonusauskas, Gediminas; McClenaghan, Nathan D.; Maurizot, Victor; Denisov, Sergey A.; Huc, Ivan","Photoinduced Electron Transfer and Hole Migration in Nanosized Helical Aromatic Oligoamide Foldamers.","Journal of the American Chemical Society","2016","138","41","13568","13578","10.1021/jacs.6b05668","","","1.54178","CuKα","","0.1403","0.0838","","","0.2291","0.2515","","","","","","1.05","","","","has coordinates,has disorder","241047","2020-10-21","18:00:00",""
"4130656","31.718","0.0015","31.718","0.0015","17.1352","0.0009","90","","90","","120","","14929","1.3","250","","250","","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C188 H97.5 In9 N1.5 O46.5 -","- C187.999 H97.5 In9 N1.5 O46.5 -","- C375.998 H195 In18 N3 O93 -","2","0.166667","","Reinares-Fisac, Daniel; Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Gándara, Felipe","A Mesoporous Indium Metal-Organic Framework: Remarkable Advances in Catalytic Activity for Strecker Reaction of Ketones.","Journal of the American Chemical Society","2016","138","29","9089","9092","10.1021/jacs.6b05706","","","1.54178","CuKα","","0.0777","0.0649","","","0.1825","0.1939","","","","","","1.14","","","","has coordinates","241048","2020-10-21","18:00:00",""
"4130657","31.8903","0.0007","31.8903","0.0007","17.1915","0.0005","90","","90","","120","","15141.2","0.6","250","","250","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- C168 H90 In9 O48 -","- C168 H90 In9 O48 -","- C336 H180 In18 O96 -","2","0.166667","","Reinares-Fisac, Daniel; Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Gándara, Felipe","A Mesoporous Indium Metal-Organic Framework: Remarkable Advances in Catalytic Activity for Strecker Reaction of Ketones.","Journal of the American Chemical Society","2016","138","29","9089","9092","10.1021/jacs.6b05706","","","1.54178","CuKα","","0.1607","0.0961","","","0.2409","0.3034","","","","","","1.006","","","","has coordinates,has disorder","241049","2020-10-21","18:00:00",""
"4130658","17.5574","0.0008","20.8944","0.0009","16.8168","0.0008","90","","90","","90","","6169.3","0.5","250","","250","","","","","","","","","5","P b c n","-P 2n 2ab","60","","InPF50","","- C30 H18 In N O10.5 -","- C30 H23 In N O10.5 -","- C240 H184 In8 N8 O84 -","8","1","","Reinares-Fisac, Daniel; Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Gándara, Felipe","A Mesoporous Indium Metal-Organic Framework: Remarkable Advances in Catalytic Activity for Strecker Reaction of Ketones.","Journal of the American Chemical Society","2016","138","29","9089","9092","10.1021/jacs.6b05706","","","1.54178","CuKα","","0.1008","0.0866","","","0.2445","0.2618","","","","","","1.158","","","","has coordinates,has disorder","241050","2020-10-21","18:00:00",""
"4130659","55.402","0.009","18.757","0.003","14.45","0.003","90","","102.502","0.003","90","","14660","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H82 O3 S8 Si8 -","- C56 H76 O3 S8 Si8 -","- C448 H608 O24 S64 Si64 -","8","1","","Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua","Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.","Journal of the American Chemical Society","2016","138","31","10002","10010","10.1021/jacs.6b05709","","","0.71073","MoKα","","0.1184","0.0888","","","0.2029","0.2188","","","","","","1.057","","","","has coordinates","241051","2020-10-21","18:00:00",""
"4130660","10.775","0.002","11.514","0.003","18.195","0.004","87.775","0.004","86.31","0.004","67.205","0.003","2076.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 I4 S4 Si4 -","- C28 H36 I4 S4 Si4 -","- C56 H72 I8 S8 Si8 -","2","1","","Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua","Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.","Journal of the American Chemical Society","2016","138","31","10002","10010","10.1021/jacs.6b05709","","","0.71073","MoKα","","0.055","0.0424","","","0.1071","0.1156","","","","","","1.086","","","","has coordinates","241052","2020-10-21","18:00:00",""
"4130661","10.918","0.006","12.793","0.006","14.3","0.007","91.596","0.009","104.851","0.009","113.229","0.009","1755.3","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H40 S4 Si4 -","- C28 H40 S4 Si4 -","- C56 H80 S8 Si8 -","2","1","","Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua","Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.","Journal of the American Chemical Society","2016","138","31","10002","10010","10.1021/jacs.6b05709","","","0.71073","MoKα","","0.1731","0.0658","","","0.0935","0.1069","","","","","","0.987","","","","has coordinates","241053","2020-10-21","18:00:00",""
"4130662","10.434","0.009","15.47","0.013","20.322","0.017","89.347","0.018","83.228","0.017","75.451","0.016","3152","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H114 Cl8 S12 Si12 -","- C86 H114 Cl8 S12 Si12 -","- C86 H114 Cl8 S12 Si12 -","1","0.5","","Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua","Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.","Journal of the American Chemical Society","2016","138","31","10002","10010","10.1021/jacs.6b05709","","","0.71073","MoKα","","0.2079","0.0944","","","0.1803","0.2065","","","","","","1.098","","","","has coordinates","241054","2020-10-21","18:00:00",""
"4130663","10.2081","0.0006","14.0993","0.0008","14.1207","0.0008","84.199","0.001","71.431","0.001","80.423","0.001","1897.18","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H42 I2 O2 S4 Si4 -","- C28 H38 I2 O2 S4 Si4 -","- C56 H76 I4 O4 S8 Si8 -","2","1","","Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua","Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.","Journal of the American Chemical Society","2016","138","31","10002","10010","10.1021/jacs.6b05709","","","0.71073","MoKα","","0.0574","0.0483","","","0.1336","0.1429","","","","","","1.063","","","","has coordinates","241055","2020-10-21","18:00:00",""
"4130664","12.2794","0.0007","19.0648","0.0011","23.574","0.0013","90","","100.784","0.001","90","","5421.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 S6 Si6 -","- C42 H58 S6 Si6 -","- C168 H232 S24 Si24 -","4","1","","Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua","Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.","Journal of the American Chemical Society","2016","138","31","10002","10010","10.1021/jacs.6b05709","","","0.71073","MoKα","","0.0893","0.0477","","","0.1218","0.1368","","","","","","1.019","","","","has coordinates","241056","2020-10-21","18:00:00",""
"4130665","15.795","0.007","16.151","0.007","23.422","0.01","79.086","0.008","82.483","0.007","66.948","0.008","5388","4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H112 S12 Si12 -","- C84 H112 S12 Si12 -","- C168 H224 S24 Si24 -","2","1","","Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua","Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.","Journal of the American Chemical Society","2016","138","31","10002","10010","10.1021/jacs.6b05709","","","0.71073","MoKα","","0.1747","0.1037","","","0.2368","0.2558","","","","","","1.188","","","","has coordinates","241057","2020-10-21","18:00:00",""
"4130666","13.9954","0.0006","14.7458","0.0006","12.9012","0.0006","90","","90.001","0.002","90","","2662.5","0.2","100","","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 Ce Cl6 N2 -","- C16 H40 Ce Cl6 N2 -","- C64 H160 Ce4 Cl24 N8 -","4","1","","Yin, Haolin; Jin, Yi; Hertzog, Jerald E.; Mullane, Kimberly C.; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","The Hexachlorocerate(III) Anion: A Potent, Benchtop Stable, and Readily Available Ultraviolet A Photosensitizer for Aryl Chlorides.","Journal of the American Chemical Society","2016","138","50","16266","16273","10.1021/jacs.6b05712","","","0.71073","MoKα","","0.0263","0.0195","","","0.0669","0.0728","","","","","","1.159","","","","has coordinates","241058","2020-10-21","18:00:00",""
"4130667","18.102","0.003","12.1714","0.001","20.8315","0.0016","90","","91.349","0.002","90","","4588.5","0.9","100","","100","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H72 Ce Cl6 N7 -","- C32 H72 Ce Cl6 N7 -","- C128 H288 Ce4 Cl24 N28 -","4","0.5","","Yin, Haolin; Jin, Yi; Hertzog, Jerald E.; Mullane, Kimberly C.; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","The Hexachlorocerate(III) Anion: A Potent, Benchtop Stable, and Readily Available Ultraviolet A Photosensitizer for Aryl Chlorides.","Journal of the American Chemical Society","2016","138","50","16266","16273","10.1021/jacs.6b05712","","","0.71073","MoKα","","0.0299","0.0255","","","0.058","0.0617","","","","","","1.089","","","","has coordinates","241058","2020-10-21","18:00:00",""
"4130668","11.7573","0.0014","17.709","0.002","12.2838","0.0014","90","","110.678","0.005","90","","2392.8","0.5","100","","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H60 Br6 Ce N3 -","- C24 H60 Br6 Ce N3 -","- C48 H120 Br12 Ce2 N6 -","2","0.5","","Yin, Haolin; Jin, Yi; Hertzog, Jerald E.; Mullane, Kimberly C.; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","The Hexachlorocerate(III) Anion: A Potent, Benchtop Stable, and Readily Available Ultraviolet A Photosensitizer for Aryl Chlorides.","Journal of the American Chemical Society","2016","138","50","16266","16273","10.1021/jacs.6b05712","","","0.71073","MoKα","","0.0194","0.0162","","","0.0369","0.0376","","","","","","1.048","","","","has coordinates","241058","2020-10-21","18:00:00",""
"4130669","13.8555","0.0008","13.8676","0.0008","14.7764","0.0008","83.16","0.002","86.479","0.002","69.655","0.002","2642.5","0.3","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H65 Br Li N11 O4 -","- C56 H62 Br Li N11 O4 -","- C112 H124 Br2 Li2 N22 O8 -","2","1","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","0.71073","MoKα","","0.0488","0.0424","","","0.106","0.1091","","","","","","1.057","","","","has coordinates,has disorder","241059","2020-10-21","18:00:00",""
"4130670","10.85","0.005","13.688","0.006","18.213","0.008","85.376","0.011","88.134","0.014","89.723","0.011","2695","2","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H69 Cl Li N9 O7 -","- C54 H69 Cl Li N9 O7 -","- C108 H138 Cl2 Li2 N18 O14 -","2","1","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","0.71075","MoKα","","0.1971","0.1309","","","0.2608","0.3001","","","","","","1.197","","","","has coordinates","241060","2020-10-21","18:00:00",""
"4130671","13.835","0.0003","13.911","0.0003","14.7899","0.0003","86.6932","0.0019","83.3607","0.0019","69.639","0.002","2650.23","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H65 Li N12 O6 -","- C56 H65 Li N12 O6 -","- C112 H130 Li2 N24 O12 -","2","1","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","x-ray","1.54184","CuKα","","0.043","0.0416","","","0.1043","0.1054","","","","","","1.024","","","","has coordinates","241061","2020-10-21","18:00:00",""
"4130672","13.9316","0.0019","18.999","0.003","20.79","0.003","113.997","0.003","97.902","0.004","97.286","0.004","4876.9","1.2","153.15","","153.15","","","","","","","","","4","P -1","-P 1","2","","","","- C53.5 H58.75 N10.25 O3 -","- C53.5 H58.75 N10.25 O3 -","- C214 H235 N41 O12 -","4","2","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","0.71073","MoKα","","0.2202","0.0701","","","0.126","0.1561","","","","","","0.884","","","","has coordinates,has disorder","241062","2020-10-21","18:00:00",""
"4130673","10.8528","0.0002","13.6605","0.0003","18.1919","0.0003","85.4609","0.0014","88.1007","0.0015","89.6809","0.0017","2687.09","0.09","100.01","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H69 Cl Li N9 O7 -","- C54 H69 Cl Li N9 O7 -","- C108 H138 Cl2 Li2 N18 O14 -","2","1","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","1.54184","CuKα","","0.0427","0.0394","","","0.1012","0.104","","","","","","1.036","","","","has coordinates","241063","2020-10-21","18:00:00",""
"4130674","14.7928","0.0009","12.3477","0.0007","27.0073","0.0016","90","","98.997","0.002","90","","4872.4","0.5","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H60 Li N9 O8 -","- C51 H60 Li N9 O8 -","- C204 H240 Li4 N36 O32 -","4","1","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","0.71073","MoKα","","0.1271","0.0861","","","0.2014","0.2241","","","","","","1.039","","","","has coordinates","241064","2020-10-21","18:00:00",""
"4130675","9.7","0.002","12.142","0.003","20.293","0.005","93.671","0.015","101.175","0.007","102.189","0.007","2278.1","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H60 N8 O6 -","- C50 H59.72 N8 O6 -","- C100 H119.44 N16 O12 -","2","1","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","0.71073","MoKα","","0.0819","0.0594","","","0.1436","0.1601","","","","","","1.034","","","","has coordinates,has disorder","241065","2020-10-21","18:00:00",""
"4130676","13.8691","0.0014","13.9169","0.0014","14.7837","0.0014","87.019","0.003","83.805","0.003","69.563","0.003","2657.9","0.5","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H65 I Li N11 O4 -","- C56 H64 I Li N11 O4 -","- C112 H128 I2 Li2 N22 O8 -","2","1","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","0.71073","MoKα","","0.0483","0.0426","","","0.1023","0.105","","","","","","1.071","","","","has coordinates,has disorder","241066","2020-10-21","18:00:00",""
"4130677","11.3956","0.0006","20.1626","0.0011","23.5767","0.0013","110.412","0.002","99.661","0.002","90.596","0.002","4991","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52.5 H68 N8 O7.5 -","- C52.5 H66.79 N8 O7.29 -","- C210 H267.16 N32 O29.16 -","4","2","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","0.71073","MoKα","","0.1912","0.099","","","0.1814","0.2231","","","","","","1.028","","","","has coordinates,has disorder","241067","2020-10-21","18:00:00",""
"4130678","38.659","0.004","38.659","0.004","8.5638","0.0009","90","","90","","120","","11084","2","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","Mn2Cl2BTDD","Mn2Cl2 bibenzotriazoledibenzodioxin","","- C4.5 H1.5 Cl0.75 Mn0.75 N2.25 O2.4 -","- C4.5 H1.5 Cl0.75 Mn0.75 N2.25 O2.4 -","- C108 H36 Cl18 Mn18 N54 O57.6 -","24","0.666667","","Rieth, Adam J.; Tulchinsky, Yuri; Dincă, Mircea","High and Reversible Ammonia Uptake in Mesoporous Azolate Metal-Organic Frameworks with Open Mn, Co, and Ni Sites.","Journal of the American Chemical Society","2016","138","30","9401","9404","10.1021/jacs.6b05723","","","0.71073","MoKα","","0.1154","0.088","","","0.2584","0.2843","","","","","","1.105","","","","has coordinates,has disorder","241068","2020-10-21","18:00:00",""
"4130679","14.281","0.003","13.986","0.003","29.181","0.006","90","","94.55","0.03","90","","5810","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H66 B N P3 Ru Si -","- C69 H66 B N P3 Ru Si -","- C276 H264 B4 N4 P12 Ru4 Si4 -","4","1","","Lipke, Mark C.; Liberman-Martin, Allegra L; Tilley, T. Don","Significant Cooperativity Between Ruthenium and Silicon in Catalytic Transformations of an Isocyanide.","Journal of the American Chemical Society","2016","138","30","9704","9713","10.1021/jacs.6b05736","","","0.71073","MoKα","","0.1612","0.0655","","","0.1273","0.1531","","","","","","0.948","","","","has coordinates,has disorder","241069","2020-10-21","18:00:00",""
"4130680","31.304","0.013","7.83","0.003","12.515","0.006","90","","110.626","0.006","90","","2871","2","93","","93","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C31 H27 Cl2 F2 N O5 S -","- C31 H27 Cl2 F2 N O5 S -","- C124 H108 Cl8 F8 N4 O20 S4 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.036","","","","0.0854","","","","","","1","","","","has coordinates","241070","2020-10-21","18:00:00",""
"4130681","7.0524","0.001","15.8433","0.0022","25.4267","0.0031","90","0","90","0","90","0","2841","0.7","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Cl2 N2 O7 S2 -","- C28 H25 Cl2 N2 O7 S2.375 -","- C112 H100 Cl8 N8 O28 S9.5 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0416","","","","0.0989","","","","","","1","","","","has coordinates","241071","2020-10-21","18:00:00",""
"4130682","7.2097","0.0016","15.714","0.004","15.938","0.004","90","","90","","90","","1805.7","0.8","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H13 Cl N2 O6 -","- C20 H13 Cl N2 O6 -","- C80 H52 Cl4 N8 O24 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0393","","","","0.0883","","","","","","1","","","","has coordinates","241072","2020-10-21","18:00:00",""
"4130683","24.814","0.007","7.7307","0.0017","19.58","0.005","90","","126.078","0.003","90","","3035.7","1.3","93","","93","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C32 H27 Cl2 F4 N O5 S -","- C32 H27 Cl2 F4 N O5 S -","- C128 H108 Cl8 F16 N4 O20 S4 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0385","","","","0.0906","","","","","","1","","","","has coordinates","241073","2020-10-21","18:00:00",""
"4130684","5.9025","0.0014","12.201","0.003","12.309","0.003","90","","101.322","0.004","90","","869.2","0.4","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H13 Cl2 N O4 -","- C20 H13 Cl2 N O4 -","- C40 H26 Cl4 N2 O8 -","2","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0422","","","","0.0977","","","","","","1","","","","has coordinates","241074","2020-10-21","18:00:00",""
"4130685","10.5269","0.0013","11.2332","0.0014","26.231","0.003","90","","90","","90","","3101.8","0.6","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35 Cl2 N O5 S -","- C34 H35 Cl2 N O5 S -","- C136 H140 Cl8 N4 O20 S4 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0467","","","","0.1116","","","","","","1","","","","has coordinates","241075","2020-10-21","18:00:00",""
"4130686","13.373","0.004","7.84","0.002","18.371","0.006","90","","109.497","0.005","90","","1815.7","0.9","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H13 Cl N2 O6 -","- C20 H13 Cl N2 O6 -","- C80 H52 Cl4 N8 O24 -","4","2","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0604","","","","0.1009","","","","","","1.01","","","","has coordinates","241076","2020-10-21","18:00:00",""
"4130687","7.5905","0.0015","33.801","0.006","12.053","0.002","90","","107.278","0.003","90","","2952.9","0.9","93","","93","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H26 Cl2 F3 N O5 S -","- C31 H26 Cl2 F3 N O5 S -","- C124 H104 Cl8 F12 N4 O20 S4 -","4","2","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0402","","","","0.0961","","","","","","1","","","","has coordinates","241077","2020-10-21","18:00:00",""
"4130688","33.429","0.009","7.7463","0.0016","12.033","0.003","90","","110.194","0.004","90","","2924.4","1.2","93","","93","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C31 H27 Cl2 F2 N O5 S -","- C31 H27 Cl2 F2 N O5 S -","- C124 H108 Cl8 F8 N4 O20 S4 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0437","","","","0.1023","","","","","","1","","","","has coordinates","241078","2020-10-21","18:00:00",""
"4130689","9.7686","0.0006","10.9965","0.0007","17.577","0.0011","74.913","0.006","75.946","0.005","75.948","0.006","1735.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N O3 -","- C19 H23 N O3 -","- C76 H92 N4 O12 -","4","2","","Chelli, Saloua; Troshin, Konstantin; Mayer, Peter; Lakhdar, Sami; Ofial, Armin R.; Mayr, Herbert","Nucleophilicity Parameters of Stabilized Iodonium Ylides for Characterizing Their Synthetic Potential.","Journal of the American Chemical Society","2016","138","32","10304","10313","10.1021/jacs.6b05768","","","0.71073","MoKα","","0.0726","0.0499","","","0.1133","0.1312","","","","","","1.028","","","","has coordinates","241079","2020-10-21","18:00:00",""
"4130690","10.4286","0.0006","17.5922","0.001","17.2786","0.0011","90","","103.094","0.006","90","","3087.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H42 N2 O4 -","- C35 H42 N2 O4 -","- C140 H168 N8 O16 -","4","1","","Chelli, Saloua; Troshin, Konstantin; Mayer, Peter; Lakhdar, Sami; Ofial, Armin R.; Mayr, Herbert","Nucleophilicity Parameters of Stabilized Iodonium Ylides for Characterizing Their Synthetic Potential.","Journal of the American Chemical Society","2016","138","32","10304","10313","10.1021/jacs.6b05768","","","0.71073","MoKα","","0.112","0.041","","","0.0709","0.0795","","","","","","0.763","","","","has coordinates","241079","2020-10-21","18:00:00",""
"4130691","10.8984","0.0011","11.283","0.0013","16.594","0.0018","90","","93.39","0.003","90","","2036.9","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 Cl O4 -","- C23 H25 Cl O4 -","- C92 H100 Cl4 O16 -","4","1","","Chelli, Saloua; Troshin, Konstantin; Mayer, Peter; Lakhdar, Sami; Ofial, Armin R.; Mayr, Herbert","Nucleophilicity Parameters of Stabilized Iodonium Ylides for Characterizing Their Synthetic Potential.","Journal of the American Chemical Society","2016","138","32","10304","10313","10.1021/jacs.6b05768","","","0.71073","MoKα","","0.0829","0.0399","","","0.0859","0.0995","","","","","","1.015","","","","has coordinates","241079","2020-10-21","18:00:00",""
"4130692","8.2713","0.0001","17.2458","0.0002","18.0598","0.0002","90","","90","","90","","2576.14","0.05","289","2","289","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N2 O3 -","- C30 H36 N2 O3 -","- C120 H144 N8 O12 -","4","1","","Liu, Zhao-Jing; Lu, Xi; Wang, Guan; Li, Lei; Jiang, Wei-Tao; Wang, Yu-Dong; Xiao, Bin; Fu, Yao","Directing Group in Decarboxylative Cross-Coupling: Copper-Catalyzed Site-Selective C-N Bond Formation from Nonactivated Aliphatic Carboxylic Acids.","Journal of the American Chemical Society","2016","138","30","9714","9719","10.1021/jacs.6b05788","","","1.54184","CuKα","","0.0396","0.0357","","","0.1045","0.1128","","","","","","1.081","","","","has coordinates","241080","2020-10-21","18:00:00",""
"4130693","7.5991","0.0003","18.8542","0.0009","20.2166","0.0011","90","","90","","90","","2896.5","0.2","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Cl N2 O3 -","- C14 H17 Cl N2 O3 -","- C112 H136 Cl8 N16 O24 -","8","1","","Liu, Zhao-Jing; Lu, Xi; Wang, Guan; Li, Lei; Jiang, Wei-Tao; Wang, Yu-Dong; Xiao, Bin; Fu, Yao","Directing Group in Decarboxylative Cross-Coupling: Copper-Catalyzed Site-Selective C-N Bond Formation from Nonactivated Aliphatic Carboxylic Acids.","Journal of the American Chemical Society","2016","138","30","9714","9719","10.1021/jacs.6b05788","","","1.54184","CuKα","","0.0824","0.0663","","","0.185","0.207","","","","","","1.074","","","","has coordinates","241081","2020-10-21","18:00:00",""
"4130694","8.7063","0.0003","17.9769","0.0007","8.8307","0.0003","90","","103.621","0.004","90","","1343.24","0.09","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N2 O -","- C15 H20 N2 O -","- C60 H80 N8 O4 -","4","1","","Liu, Zhao-Jing; Lu, Xi; Wang, Guan; Li, Lei; Jiang, Wei-Tao; Wang, Yu-Dong; Xiao, Bin; Fu, Yao","Directing Group in Decarboxylative Cross-Coupling: Copper-Catalyzed Site-Selective C-N Bond Formation from Nonactivated Aliphatic Carboxylic Acids.","Journal of the American Chemical Society","2016","138","30","9714","9719","10.1021/jacs.6b05788","","","1.54184","CuKα","","0.0461","0.0429","","","0.1158","0.1196","","","","","","1.068","","","","has coordinates","241082","2020-10-21","18:00:00",""
"4130695","35.0615","0.0011","14.9665","0.0003","30.3099","0.0007","90","","101.487","0.002","90","","15586.5","0.7","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65.71 H62.97 I6.03 N12 O4.1 Zn3 -","- C65.714 H62.98 I6.0277 N12 O4.101 Zn3 -","- C525.712 H503.84 I48.2216 N96 O32.808 Zn24 -","8","1","","Yoshioka, Shota; Inokuma, Yasuhide; Duplan, Vincent; Dubey, Ritesh; Fujita, Makoto","X-ray Structure Analysis of Ozonides by the Crystalline Sponge Method.","Journal of the American Chemical Society","2016","138","32","10140","10142","10.1021/jacs.6b05817","","","0.71073","MoKα","","0.0743","0.0553","","","0.1585","0.1719","","","","","","1.1","","","","has coordinates,has disorder","241083","2020-10-21","18:00:00",""
"4130696","34.44","0.002","14.9178","0.0008","29.894","0.002","90","","99.307","0.006","90","","15156.4","1.6","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52.6 H59.36 I6.02 N12 O2.55 Zn3 -","- C52.62 H59.392 I6.019 N12 O2.555 Zn3 -","- C420.96 H475.136 I48.152 N96 O20.44 Zn24 -","8","1","","Yoshioka, Shota; Inokuma, Yasuhide; Duplan, Vincent; Dubey, Ritesh; Fujita, Makoto","X-ray Structure Analysis of Ozonides by the Crystalline Sponge Method.","Journal of the American Chemical Society","2016","138","32","10140","10142","10.1021/jacs.6b05817","","","1.54184","CuKα","","0.135","0.0969","","","0.2784","0.3075","","","","","","1.062","","","","has coordinates,has disorder","241084","2020-10-21","18:00:00",""
"4130697","34.8492","0.0012","14.8584","0.0005","31.0351","0.001","90","","101.858","0.003","90","","15727.1","0.9","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60.08 H52.04 I6 N12 O4.47 Zn3 -","- C62.405 H53.761 I6 N12 O5.122 Zn3 -","- C499.24 H430.088 I48 N96 O40.976 Zn24 -","8","1","","Yoshioka, Shota; Inokuma, Yasuhide; Duplan, Vincent; Dubey, Ritesh; Fujita, Makoto","X-ray Structure Analysis of Ozonides by the Crystalline Sponge Method.","Journal of the American Chemical Society","2016","138","32","10140","10142","10.1021/jacs.6b05817","","","1.54184","CuKα","","0.0792","0.0699","","","0.2045","0.2142","","","","","","1.046","","","","has coordinates,has disorder","241085","2020-10-21","18:00:00",""
"4130698","35.5334","0.0009","14.9227","0.0003","30.6034","0.001","90","","102.176","0.003","90","","15862.5","0.8","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65.34 H67.68 I6 N12 O4.82 Zn3 -","- C65.348 H67.688 I6.0001 N12 O4.824 Zn3 -","- C522.784 H541.504 I48.0008 N96 O38.592 Zn24 -","8","1","","Yoshioka, Shota; Inokuma, Yasuhide; Duplan, Vincent; Dubey, Ritesh; Fujita, Makoto","X-ray Structure Analysis of Ozonides by the Crystalline Sponge Method.","Journal of the American Chemical Society","2016","138","32","10140","10142","10.1021/jacs.6b05817","","","1.54184","CuKα","","0.066","0.0621","","","0.1783","0.1845","","","","","","1.027","","","","has coordinates,has disorder","241086","2020-10-21","18:00:00",""
"4130699","10.2354","0.0005","22.4215","0.0011","20.0452","0.001","90","","92.5728","0.0016","90","","4595.6","0.4","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H68 Al2 Cl4 F48 N2 O12 -","- C71.976 H67.982 Al2 Cl4 F47.964 N2 O11.994 -","- C143.952 H135.964 Al4 Cl8 F95.928 N4 O23.988 -","2","0.5","","Li, Tao; Tan, Gengwen; Shao, Dong; Li, Jing; Zhang, Zaichao; Song, You; Sui, Yunxia; Chen, Sheng; Fang, Yong; Wang, Xinping","Magnetic Bistability in a Discrete Organic Radical.","Journal of the American Chemical Society","2016","138","32","10092","10095","10.1021/jacs.6b05863","","","0.71073","MoKα","","0.0962","0.0643","","","0.174","0.1956","","","","","","1.074","","","","has coordinates,has disorder","241087","2020-10-21","18:00:00",""
"4130700","10.0924","0.0007","22.1142","0.0015","20.0895","0.0014","90","","92.8778","0.0019","90","","4478","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H68 Al2 Cl4 F48 N2 O12 -","- C72 H68 Al2 Cl4 F48 N2 O12 -","- C144 H136 Al4 Cl8 F96 N4 O24 -","2","0.5","","Li, Tao; Tan, Gengwen; Shao, Dong; Li, Jing; Zhang, Zaichao; Song, You; Sui, Yunxia; Chen, Sheng; Fang, Yong; Wang, Xinping","Magnetic Bistability in a Discrete Organic Radical.","Journal of the American Chemical Society","2016","138","32","10092","10095","10.1021/jacs.6b05863","","","0.71073","MoKα","","0.0661","0.0492","","","0.1222","0.1324","","","","","","1.041","","","","has coordinates,has disorder","241089","2020-10-21","18:00:00",""
"4130701","8.7573","0.0007","9.2971","0.0008","17.9518","0.0015","96.322","0.001","96.085","0.001","98.476","0.001","1425.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Co N5 O -","- C16 H12 Co N5 O -","- C64 H48 Co4 N20 O4 -","4","2","","Walter, Melody R.; Dzul, Stephen P.; Rodrigues, Andria V.; Stemmler, Timothy L.; Telser, Joshua; Conradie, Jeanet; Ghosh, Abhik; Harrop, Todd C.","Synthesis of Co(II)-NO(-) Complexes and Their Reactivity as a Source of Nitroxyl.","Journal of the American Chemical Society","2016","138","38","12459","12471","10.1021/jacs.6b05896","","","0.71073","MoKα","","0.0511","0.0487","","","0.1327","0.1355","","","","","","1.086","","","","has coordinates,has disorder","241090","2020-10-21","18:00:00",""
"4130702","21.947","0.004","31.682","0.006","32.585","0.007","68.47","0.03","71.98","0.03","87.32","0.03","19985","9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C189.74 H179.72 Cl20.22 F4 N33 O33.99 -","- C189.74 H178.74 Cl20.2185 F4 N33 O33.988 -","- C758.958 H714.958 Cl80.874 F16 N132 O135.952 -","4","2","","Lautrette, Guillaume; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Iterative Evolution of an Abiotic Foldamer Sequence for the Recognition of Guest Molecules with Atomic Precision.","Journal of the American Chemical Society","2016","138","32","10314","10322","10.1021/jacs.6b05913","","","0.85043","synchrotron","","0.235","0.1604","","","0.4103","0.4591","","","","","","1.577","","","","has coordinates,has disorder","241091","2020-10-21","18:00:00",""
"4130703","49.748","0.006","20.6649","0.0007","44.655","0.003","90","","120.124","0.007","90","","39707","6","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C172.93 H161.93 Cl11.79 F3 N31 O31 -","- C172.933 H161.933 Cl11.799 F3 N31 O31 -","- C1383.46 H1295.46 Cl94.392 F24 N248 O248 -","8","1","","Lautrette, Guillaume; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Iterative Evolution of an Abiotic Foldamer Sequence for the Recognition of Guest Molecules with Atomic Precision.","Journal of the American Chemical Society","2016","138","32","10314","10322","10.1021/jacs.6b05913","","","1.54178","CuKα","","0.185","0.1376","","","0.3487","0.37","","","","","","2.072","","","","has coordinates,has disorder","241092","2020-10-21","18:00:00",""
"4130704","50.2","0.01","20.65","0.004","44.5","0.009","90","","119.95","0.03","90","","39970","18","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C176.69 H170.65 Cl26.07 F2 N32 O34.03 -","- C176.692 H166.192 Cl26.076 F2 N32 O34.034 -","- C1413.54 H1329.54 Cl208.608 F16 N256 O272.272 -","8","1","","Lautrette, Guillaume; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Iterative Evolution of an Abiotic Foldamer Sequence for the Recognition of Guest Molecules with Atomic Precision.","Journal of the American Chemical Society","2016","138","32","10314","10322","10.1021/jacs.6b05913","","","1.54178","CuKα","","0.1448","0.1189","","","0.3267","0.3453","","","","","","1.263","","","","has coordinates,has disorder","241093","2020-10-21","18:00:00",""
"4130705","49.435","0.003","20.803","0.0006","44.896","0.002","90","","120.02","0.002","90","","39977","3","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C175.19 H167.07 Cl18.58 F3 N31 O33.45 -","- C175.188 H164.188 Cl18.564 F3 N31 O33.454 -","- C1401.5 H1313.5 Cl148.512 F24 N248 O267.632 -","8","1","","Lautrette, Guillaume; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Iterative Evolution of an Abiotic Foldamer Sequence for the Recognition of Guest Molecules with Atomic Precision.","Journal of the American Chemical Society","2016","138","32","10314","10322","10.1021/jacs.6b05913","","","1.54178","CuKα","","0.2248","0.1826","","","0.4648","0.492","","","","","","1.643","","","","has coordinates,has disorder","241094","2020-10-21","18:00:00",""
"4130706","21.071","0.004","24.247","0.005","25.223","0.005","73.88","0.03","76.97","0.03","69.57","0.03","11482","5","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C195.18 H194.65 Cl18.55 F4 N33 O35.73 -","- C195.176 H191.176 Cl18.528 F4 N33 O35.735 -","- C390.352 H382.352 Cl37.056 F8 N66 O71.47 -","2","1","","Lautrette, Guillaume; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Iterative Evolution of an Abiotic Foldamer Sequence for the Recognition of Guest Molecules with Atomic Precision.","Journal of the American Chemical Society","2016","138","32","10314","10322","10.1021/jacs.6b05913","","","1.54178","CuKα","","0.2266","0.1841","","","0.4481","0.4747","","","","","","1.672","","","","has coordinates,has disorder","241095","2020-10-21","18:00:00",""
"4130707","19.64","0.004","22.54","0.005","39.4","0.008","90","","101.49","0.03","90","","17092","6","130","2","130","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C141.74 H140.4 Cl5.22 N28 O31.34 -","- C141.742 H133.742 Cl5.226 N28 O31.334 -","- C566.968 H534.968 Cl20.904 N112 O125.336 -","4","1","","Lautrette, Guillaume; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Iterative Evolution of an Abiotic Foldamer Sequence for the Recognition of Guest Molecules with Atomic Precision.","Journal of the American Chemical Society","2016","138","32","10314","10322","10.1021/jacs.6b05913","","","1.54178","CuKα","","0.2255","0.1937","","","0.4856","0.5086","","","","","","1.836","","","","has coordinates,has disorder","241096","2020-10-21","18:00:00",""
"4130708","26.125","0.002","13.1556","0.001","15.3654","0.0012","90","","108.347","0.003","90","","5012.5","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H58 N6 O2 Ti -","- C58 H50 N6 O Ti -","- C232 H200 N24 O4 Ti4 -","4","0.5","","Zhang, Yu; Petersen, Jeffrey L.; Milsmann, Carsten","A Luminescent Zirconium(IV) Complex as a Molecular Photosensitizer for Visible Light Photoredox Catalysis.","Journal of the American Chemical Society","2016","138","40","13115","13118","10.1021/jacs.6b05934","","","0.71073","MoKα","","0.1016","0.0641","","","0.1417","0.1563","","","","","","1.076","","","","has coordinates,has disorder","241097","2020-10-21","18:00:00",""
"4130709","13.9916","0.0008","14.6671","0.0008","15.0683","0.0009","67.0258","0.0014","64.2263","0.0015","80.3251","0.0015","2563.8","0.3","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C58.5 H52 Cl4 N6 Zr -","- C55 H44 Cl2 N6 Zr -","- C110 H88 Cl4 N12 Zr2 -","2","1","","Zhang, Yu; Petersen, Jeffrey L.; Milsmann, Carsten","A Luminescent Zirconium(IV) Complex as a Molecular Photosensitizer for Visible Light Photoredox Catalysis.","Journal of the American Chemical Society","2016","138","40","13115","13118","10.1021/jacs.6b05934","","","0.71073","MoKα","","0.0953","0.062","","","0.1639","0.1813","","","","","","1.063","","","","has coordinates","241098","2020-10-21","18:00:00",""
"4130710","14.033","0.001","15.4827","0.001","18.3458","0.0014","66.7781","0.0019","68.3245","0.0019","78.74","0.002","3398.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80.5 H86 Li N6 O4 Ti -","- C80.5 H86 Li N6 O4 Ti -","- C161 H172 Li2 N12 O8 Ti2 -","2","1","","Zhang, Yu; Petersen, Jeffrey L.; Milsmann, Carsten","A Luminescent Zirconium(IV) Complex as a Molecular Photosensitizer for Visible Light Photoredox Catalysis.","Journal of the American Chemical Society","2016","138","40","13115","13118","10.1021/jacs.6b05934","","","0.71073","MoKα","","0.1131","0.0639","","","0.1397","0.1698","","","","","","1.02","","","","has coordinates,has disorder","241099","2020-10-21","18:00:00",""
"4130711","15.2333","0.0006","21.899","0.0009","15.621","0.0008","90","","113.682","0.0013","90","","4772.2","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H25 Cl2 N3 -","- C28 H25 Cl2 N3 -","- C224 H200 Cl16 N24 -","8","1","","Zhang, Yu; Petersen, Jeffrey L.; Milsmann, Carsten","A Luminescent Zirconium(IV) Complex as a Molecular Photosensitizer for Visible Light Photoredox Catalysis.","Journal of the American Chemical Society","2016","138","40","13115","13118","10.1021/jacs.6b05934","","","0.71073","MoKα","","0.0758","0.0609","","","0.1708","0.1836","","","","","","1.029","","","","has coordinates","241100","2020-10-21","18:00:00",""
"4130712","7.087","0.0006","9.4712","0.0008","14.736","0.0013","90","","95.033","0.002","90","","985.3","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Y-PT","toste138","","- C25 H21 Br O2 -","- C25 H21 Br O2 -","- C50 H42 Br2 O4 -","2","1","","Yang, Zhenyu; He, Ying; Toste, F. Dean","Biomimetic Approach to the Catalytic Enantioselective Synthesis of Flavonoids.","Journal of the American Chemical Society","2016","138","31","9775","9778","10.1021/jacs.6b05939","","","0.71073","MoKα","","0.0304","0.0276","","","0.0659","0.0669","","","","","","1.063","","","","has coordinates","241101","2020-10-21","18:00:00",""
"4130713","17.2028","0.0013","15.4349","0.0011","11.5463","0.0008","90","","90.05","0.003","90","","3065.8","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl8 N5 O7 Ru2 -","- C22 H16 Cl8 N5 O7 Ru2 -","- C88 H64 Cl32 N20 O28 Ru8 -","4","1","","Corcos, Amanda R.; Pap, József S; Yang, Tzuhsiung; Berry, John F.","A Synthetic Oxygen Atom Transfer Photocycle from a Diruthenium Oxyanion Complex.","Journal of the American Chemical Society","2016","138","31","10032","10040","10.1021/jacs.6b05942","","x-ray","0.71073","MoKα","","0.0271","0.0258","","","0.0667","0.0683","","","","","","1.075","","","","has coordinates,has disorder","241102","2020-10-21","18:00:00",""
"4130714","11.5392","0.0006","16.7038","0.0009","16.6387","0.0009","90","","93.965","0.003","90","","3199.4","0.3","100.1","","100.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl9 N4 O8 Ru2 -","- C22 H16 Cl9 N4 O8 Ru2 -","- C88 H64 Cl36 N16 O32 Ru8 -","4","1","","Corcos, Amanda R.; Pap, József S; Yang, Tzuhsiung; Berry, John F.","A Synthetic Oxygen Atom Transfer Photocycle from a Diruthenium Oxyanion Complex.","Journal of the American Chemical Society","2016","138","31","10032","10040","10.1021/jacs.6b05942","","x-ray","0.71073","MoKα","","0.0617","0.0473","","","0.1021","0.1122","","","","","","1.058","","","","has coordinates,has disorder","241102","2020-10-21","18:00:00",""
"4130715","10.0156","0.0004","8.0639","0.0003","22.8556","0.0009","90","","97.721","0.001","90","","1829.19","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","197","","","- C23 H23 N O S -","- C23 H23 N O S -","- C92 H92 N4 O4 S4 -","4","1","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Reiner, Anne; Trommer, Florian; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Twisted Hemithioindigo Photoswitches: Solvent Polarity Determines the Type of Light-Induced Rotations.","Journal of the American Chemical Society","2016","138","37","12219","12227","10.1021/jacs.6b05981","","","0.71073","MoKα","","0.06","0.0457","","","0.1099","0.1167","","","","","","1.068","","","","has coordinates,has disorder","241103","2020-10-21","18:00:00",""
"4130716","9.3079","0.0008","12.1781","0.0012","13.2465","0.0013","106.732","0.003","92.499","0.003","108.633","0.003","1347.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","8-2","","","- C17 H15 N O S -","- C17 H15 N O S -","- C68 H60 N4 O4 S4 -","4","2","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Reiner, Anne; Trommer, Florian; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Twisted Hemithioindigo Photoswitches: Solvent Polarity Determines the Type of Light-Induced Rotations.","Journal of the American Chemical Society","2016","138","37","12219","12227","10.1021/jacs.6b05981","","","0.71073","MoKα","","0.0804","0.0575","","","0.1193","0.1287","","","","","","1.075","","","","has coordinates","241104","2020-10-21","18:00:00",""
"4130717","8.331","0.0004","9.1106","0.0004","11.7677","0.0005","78.4434","0.0013","88.9037","0.0013","63.9928","0.0011","784.06","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N O S -","- C19 H19 N O S -","- C38 H38 N2 O2 S2 -","2","1","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Reiner, Anne; Trommer, Florian; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Twisted Hemithioindigo Photoswitches: Solvent Polarity Determines the Type of Light-Induced Rotations.","Journal of the American Chemical Society","2016","138","37","12219","12227","10.1021/jacs.6b05981","","","0.71073","MoKα","","0.037","0.0335","","","0.0856","0.088","","","","","","1.051","","","","has coordinates","241104","2020-10-21","18:00:00",""
"4130718","9.7376","0.0003","18.717","0.0006","8.9622","0.0003","90","","97.579","0.001","90","","1619.17","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","48-2","","","- C19 H19 N O S -","- C19 H19 N O S -","- C76 H76 N4 O4 S4 -","4","1","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Reiner, Anne; Trommer, Florian; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Twisted Hemithioindigo Photoswitches: Solvent Polarity Determines the Type of Light-Induced Rotations.","Journal of the American Chemical Society","2016","138","37","12219","12227","10.1021/jacs.6b05981","","","0.71073","MoKα","","0.0521","0.0401","","","0.0987","0.109","","","","","","1.059","","","","has coordinates","241104","2020-10-21","18:00:00",""
"4130719","10.6412","0.0004","21.109","0.0007","24.0776","0.0008","90","","98.404","0.001","90","","5350.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53.92 H70.81 Cl5.04 N O3 P Pd -","- C53.924 H70.81 Cl5.038 N O3 P Pd -","- C215.696 H283.24 Cl20.152 N4 O12 P4 Pd4 -","4","1","","Arrechea, Pedro Luis; Buchwald, Stephen L.","Biaryl Phosphine Based Pd(II) Amido Complexes: The Effect of Ligand Structure on Reductive Elimination.","Journal of the American Chemical Society","2016","138","38","12486","12493","10.1021/jacs.6b05990","","","0.71073","MoKα","","0.0423","0.0357","","","0.0918","0.0955","","","","","","1.089","","","","has coordinates,has disorder","241105","2020-10-21","18:00:00",""
"4130720","17.8561","0.0014","18.1897","0.0014","19.0033","0.0014","72.848","0.001","79.98","0.001","77.541","0.001","5718.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61.55 H82.84 N O5 P Pd -","- C61.5493 H82.8583 N O5 P Pd -","- C246.197 H331.433 N4 O20 P4 Pd4 -","4","2","","Arrechea, Pedro Luis; Buchwald, Stephen L.","Biaryl Phosphine Based Pd(II) Amido Complexes: The Effect of Ligand Structure on Reductive Elimination.","Journal of the American Chemical Society","2016","138","38","12486","12493","10.1021/jacs.6b05990","","","0.71073","MoKα","","0.0619","0.0413","","","0.101","0.114","","","","","","1.032","","","","has coordinates,has disorder","241106","2020-10-21","18:00:00",""
"4130721","16.647","0.0019","20.8853","0.0012","31.0722","0.0013","72.542","0.003","76.013","0.002","70.335","0.003","9584.6","1.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C150 H225 Au21 S15 -","- C150 H225 Au21 S15 -","- C300 H450 Au42 S30 -","2","1","","Chen, Shuang; Xiong, Lin; Wang, Shuxin; Ma, Zhongyun; Jin, Shan; Sheng, Hongting; Pei, Yong; Zhu, Manzhou","Total Structure Determination of Au21(S-Adm)15 and Geometrical/Electronic Structure Evolution of Thiolated Gold Nanoclusters.","Journal of the American Chemical Society","2016","138","34","10754","10757","10.1021/jacs.6b06004","","","0.71073","MoKα","","0.0727","0.0517","","","0.1169","0.1208","","","","","","1.028","","","","has coordinates","241107","2020-10-21","18:00:00",""
"4130722","9.168","0.005","18.831","0.005","16.883","0.005","90","","101.02","0.005","90","","2861","1.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H47 B Co N O3 P2 -","- C26 H47 B Co N O3 P2 -","- C104 H188 B4 Co4 N4 O12 P8 -","4","1","","Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design.","Journal of the American Chemical Society","2016","138","33","10645","10653","10.1021/jacs.6b06144","","","0.71073","MoKα","","0.0364","0.0281","","","0.0695","0.0806","","","","","","1.075","","","","has coordinates","241108","2020-10-21","18:00:00",""
"4130723","10.759","0.002","15.982","0.003","19.173","0.004","90","","93.152","0.004","90","","3291.8","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H56 B Co N2 O2 P2 -","- C29 H56 B Co N2 O2 P2 -","- C116 H224 B4 Co4 N8 O8 P8 -","4","1","","Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design.","Journal of the American Chemical Society","2016","138","33","10645","10653","10.1021/jacs.6b06144","","","0.71073","MoKα","","0.0918","0.0822","","","0.205","0.2107","","","","","","1.152","","","","has coordinates,has disorder","241108","2020-10-21","18:00:00",""
"4130724","9.9557","0.0004","16.117","0.0006","20.4822","0.0009","90","","98.647","0.002","90","","3249.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H54 B Co N4 O2 P2 -","- C29 H54 B Co N4 O2 P2 -","- C116 H216 B4 Co4 N16 O8 P8 -","4","1","","Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design.","Journal of the American Chemical Society","2016","138","33","10645","10653","10.1021/jacs.6b06144","","","0.71073","MoKα","","0.09","0.0456","","","0.0877","0.1025","","","","","","1.019","","","","has coordinates","241108","2020-10-21","18:00:00",""
"4130725","11.6915","0.0005","12.0608","0.0004","13.9689","0.0005","73.388","0.001","82.644","0.001","85.856","0.001","1870.67","0.12","101","2","101","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H63 B Cl Ir N2 O3 P2 -","- C33 H63 B Cl Ir N2 O3 P2 -","- C66 H126 B2 Cl2 Ir2 N4 O6 P4 -","2","1","","Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design.","Journal of the American Chemical Society","2016","138","33","10645","10653","10.1021/jacs.6b06144","","","0.71073","MoKα","","0.0257","0.0235","","","0.054","0.056","","","","","","1.124","","","","has coordinates,has disorder","241108","2020-10-21","18:00:00",""
"4130726","9.5","0.0003","17.9686","0.0006","10.8015","0.0004","90","","114.926","0.001","90","","1672.09","0.1","101","2","101","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H56 B Ir N2 O2 P2 -","- C29 H56 B Ir N2 O2 P2 -","- C58 H112 B2 Ir2 N4 O4 P4 -","2","1","","Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design.","Journal of the American Chemical Society","2016","138","33","10645","10653","10.1021/jacs.6b06144","","","0.71073","MoKα","","0.0179","0.0169","","","0.0417","0.042","","","","","","1.089","","","","has coordinates","241108","2020-10-21","18:00:00",""
"4130727","10.9273","0.0004","13.5197","0.0005","21.0752","0.0007","76.249","0.002","79.975","0.002","83.708","0.002","2970.52","0.19","107","2","107","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H46 B Cl Co N O2 P2 -","- C25 H46 B Cl Co N O2 P2 -","- C100 H184 B4 Cl4 Co4 N4 O8 P8 -","4","2","","Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design.","Journal of the American Chemical Society","2016","138","33","10645","10653","10.1021/jacs.6b06144","","","1.54178","CuKα","","0.0741","0.0651","","","0.1586","0.166","","","","","","1.103","","","","has coordinates","241108","2020-10-21","18:00:00",""
"4130728","11.1743","0.0002","22.1777","0.0005","14.5277","0.0003","90","","90.804","0.001","90","","3599.9","0.13","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H60 B2 Co N O4 P2 -","- C31 H60 B2 Co N O4 P2 -","- C124 H240 B8 Co4 N4 O16 P8 -","4","1","","Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design.","Journal of the American Chemical Society","2016","138","33","10645","10653","10.1021/jacs.6b06144","","","1.54178","CuKα","","0.0369","0.0341","","","0.0818","0.0843","","","","","","1.072","","","","has coordinates","241108","2020-10-21","18:00:00",""
"4130729","6.4718","0.0004","7.7276","0.0006","7.9956","0.0005","68.426","0.007","85.638","0.005","87.899","0.006","370.76","0.05","293","2","293.15","","","","","","","","","4","P 1","P 1","1","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C17 H15 N O4 -","1","1","","Huo, Xiaohong; He, Rui; Zhang, Xiao; Zhang, Wanbin","An Ir/Zn Dual Catalysis for Enantio- and Diastereodivergent α-Allylation of α-Hydroxyketones.","Journal of the American Chemical Society","2016","138","35","11093","11096","10.1021/jacs.6b06156","","","1.54184","CuKα","","0.0394","0.0366","","","0.0983","0.1025","","","","","","1.034","","","","has coordinates","241109","2020-10-21","18:00:00",""
"4130730","5.7846","0.0018","10.081","0.002","20.654","0.018","90","","95.51","0.03","90","","1198.9","1.1","301","2","301","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H25 N O5 -","- C27 H25 N O5 -","- C54 H50 N2 O10 -","2","1","","Huo, Xiaohong; He, Rui; Zhang, Xiao; Zhang, Wanbin","An Ir/Zn Dual Catalysis for Enantio- and Diastereodivergent α-Allylation of α-Hydroxyketones.","Journal of the American Chemical Society","2016","138","35","11093","11096","10.1021/jacs.6b06156","","","1.54178","CuKα","","0.0692","0.0653","","","0.2178","0.2209","","","","","","1.019","","","","has coordinates","241110","2020-10-21","18:00:00",""
"4130731","14.8428","0.0004","18.9967","0.0006","10.3327","0.0003","90","","90","","90","","2913.45","0.15","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H18 N0 O2 -","- C17 H18 O2 -","- C136 H144 O16 -","8","2","","Huo, Xiaohong; He, Rui; Zhang, Xiao; Zhang, Wanbin","An Ir/Zn Dual Catalysis for Enantio- and Diastereodivergent α-Allylation of α-Hydroxyketones.","Journal of the American Chemical Society","2016","138","35","11093","11096","10.1021/jacs.6b06156","","","1.54178","CuKα","","0.0292","0.0285","","","0.0785","0.0792","","","","","","1.047","","","","has coordinates","241111","2020-10-21","18:00:00",""
"4130732","6.6302","0.0002","7.9041","0.0002","26.5947","0.0008","90","","90","","90","","1393.72","0.07","125","2","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3aR,7aS)-3a-(3,4-Dimethoxyphenyl)hexahydrobenzofuran-2,4-dione","","- C16 H18 O5 -","- C16 H18 O5 -","- C64 H72 O20 -","4","1","","Wu, Xuesong; Chen, Zhiwei; Bai, Yu-Bin; Dong, Vy M.","Diastereodivergent Construction of Bicyclic γ-Lactones via Enantioselective Ketone Hydroacylation.","Journal of the American Chemical Society","2016","138","37","12013","12016","10.1021/jacs.6b06227","","x-ray","1.54178","CuKα","","0.0284","0.0281","","","0.0721","0.0725","","","","","","1.084","","","","has coordinates","241112","2020-10-21","18:00:00",""
"4130733","10.7939","0.0002","6.1019","0.0001","11.603","0.0003","90","","109.966","0.001","90","","718.28","0.03","125","","125","","","","","","","","","3","P 1 21 1","P 2yb","4","","(3aR,7aS)-3a-Benzyl-6,6-dimethylhexahydrobenzofuran-2,4-dione","","- C17 H20 O3 -","- C17 H20 O3 -","- C34 H40 O6 -","2","1","","Wu, Xuesong; Chen, Zhiwei; Bai, Yu-Bin; Dong, Vy M.","Diastereodivergent Construction of Bicyclic γ-Lactones via Enantioselective Ketone Hydroacylation.","Journal of the American Chemical Society","2016","138","37","12013","12016","10.1021/jacs.6b06227","","x-ray","1.54178","CuKα","","0.027","0.0261","","","0.0639","0.0646","","","","","","1.047","","","","has coordinates","241113","2020-10-21","18:00:00",""
"4130734","5.8192","0.0001","8.5684","0.0002","29.2539","0.0005","90","","90","","90","","1458.64","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3aS,7aS)-3a-Benzyl-6,6-dimethylhexahydrobenzofuran-2,4-dione","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Wu, Xuesong; Chen, Zhiwei; Bai, Yu-Bin; Dong, Vy M.","Diastereodivergent Construction of Bicyclic γ-Lactones via Enantioselective Ketone Hydroacylation.","Journal of the American Chemical Society","2016","138","37","12013","12016","10.1021/jacs.6b06227","","","1.54178","CuKα","","0.0337","0.0327","","","0.0837","0.0844","","","","","","1.1","","","","has coordinates","241114","2020-10-21","18:00:00",""
"4130735","18.126","0.014","20.015","0.015","21.79","0.016","109.155","0.009","103.794","0.009","99.7","0.01","6985","9","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C2.48 H1.71 Cl0.05 O0.45 P0.05 Rh0.05 Zr0.08 -","- C2.45333 H1.70667 Cl0.0533333 O0.453333 P0.0533333 Rh0.0533333 Zr0.08 -","- C184 H128 Cl4 O34 P4 Rh4 Zr6 -","75","37.5","","Sawano, Takahiro; Lin, Zekai; Boures, Dean; An, Bing; Wang, Cheng; Lin, Wenbin","Metal-Organic Frameworks Stabilize Mono(phosphine)-Metal Complexes for Broad-Scope Catalytic Reactions.","Journal of the American Chemical Society","2016","138","31","9783","9786","10.1021/jacs.6b06239","","","0.41328","synchrotron","","0.1636","0.1189","","","0.3042","0.3358","","","","","","1.113","","","","has coordinates,has disorder","241115","2020-10-21","18:00:00",""
"4130736","19.783","0.007","21.51","0.007","23.023","0.008","117.806","0.004","111.824","0.004","90.022","0.005","7862","5","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C2.61 Ir0.07 O0.61 P0.07 Zr0.1 -","- C2.61017 Ir0.0550847 O0.610169 P0.0677966 Zr0.101695 -","- C154 Ir3.25 O36 P4 Zr6 -","59","29.5","","Sawano, Takahiro; Lin, Zekai; Boures, Dean; An, Bing; Wang, Cheng; Lin, Wenbin","Metal-Organic Frameworks Stabilize Mono(phosphine)-Metal Complexes for Broad-Scope Catalytic Reactions.","Journal of the American Chemical Society","2016","138","31","9783","9786","10.1021/jacs.6b06239","","","0.41328","synchrotron","","0.2091","0.1346","","","0.3304","0.3683","","","","","","1.045","","","","has coordinates","241116","2020-10-21","18:00:00",""
"4130737","9.9287","0.0003","23.4031","0.0007","13.6432","0.0004","90","","97.655","0.003","90","","3141.91","0.16","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Z)-(2-(di-p-tolylmethoxy)vinyl)triphenylphosphonium trifluoromethanesulfonate","","- C36 H32 F3 O4 P S -","- C36 H32 F3 O4 P S -","- C144 H128 F12 O16 P4 S4 -","4","1","","Byrne, Peter A.; Karaghiosoff, Konstantin; Mayr, Herbert","Ambident Reactivity of Acetyl- and Formyl-Stabilized Phosphonium Ylides.","Journal of the American Chemical Society","2016","138","35","11272","11281","10.1021/jacs.6b06264","","","0.71073","MoKα","","0.0703","0.0482","","","0.116","0.1309","","","","","","1.029","","","","has coordinates","241117","2020-10-21","18:00:00",""
"4130738","14.8092","0.0003","18.0751","0.0003","25.1097","0.0004","90","","90","","90","","6721.3","0.2","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Z)-(2-(di-p-tolylmethoxy)prop-1-en-1-yl)triphenylphosphonium trifluoromethanesulfonate","","- C37 H34 F3 O4 P S -","- C37 H34 F3 O4 P S -","- C296 H272 F24 O32 P8 S8 -","8","1","","Byrne, Peter A.; Karaghiosoff, Konstantin; Mayr, Herbert","Ambident Reactivity of Acetyl- and Formyl-Stabilized Phosphonium Ylides.","Journal of the American Chemical Society","2016","138","35","11272","11281","10.1021/jacs.6b06264","","","0.71073","MoKα","","0.06","0.0396","","","0.0901","0.1017","","","","","","1.022","","","","has coordinates","241117","2020-10-21","18:00:00",""
"4130739","13.6438","0.0015","18.702","0.002","23.756","0.003","78.05","0.006","76.92","0.006","72.03","0.006","5554.5","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","btpa_tcne","btpa_tcne","","- C47 H37 N5 -","- C47 H37 N5 -","- C282 H222 N30 -","6","3","","Li, Zhong'an; Zhu, Zonglong; Chueh, Chu-Chen; Jo, Sae Byeok; Luo, Jingdong; Jang, Sei-Hum; Jen, Alex K.-Y.","Rational Design of Dipolar Chromophore as an Efficient Dopant-Free Hole-Transporting Material for Perovskite Solar Cells.","Journal of the American Chemical Society","2016","138","36","11833","11839","10.1021/jacs.6b06291","","","0.71073","MoKα","","0.1543","0.0741","","","0.1726","0.2122","","","","","","1.021","","","","has coordinates,has disorder","241118","2020-10-21","18:00:00",""
"4130740","5.5631","0.0004","17.6908","0.0013","21.5907","0.0016","90","","90.0191","0.0013","90","","2124.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H29 N O S -","- C25 H29 N O S -","- C100 H116 N4 O4 S4 -","4","2","","Yang, Yang; Perry, Ian B.; Buchwald, Stephen L.","Copper-Catalyzed Enantioselective Addition of Styrene-Derived Nucleophiles to Imines Enabled by Ligand-Controlled Chemoselective Hydrocupration.","Journal of the American Chemical Society","2016","138","31","9787","9790","10.1021/jacs.6b06299","","","0.71073","MoKα","","0.0472","0.0424","","","0.1017","0.1055","","","","","","1.05","","","","has coordinates,has disorder","241119","2020-10-21","18:00:00",""
"4130741","12.3219","0.0015","9.9416","0.0012","20.196","0.003","90","","107.031","0.003","90","","2365.5","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H25 Br N O P -","- C27 H25 Br N O P -","- C108 H100 Br4 N4 O4 P4 -","4","2","","Yang, Yang; Perry, Ian B.; Buchwald, Stephen L.","Copper-Catalyzed Enantioselective Addition of Styrene-Derived Nucleophiles to Imines Enabled by Ligand-Controlled Chemoselective Hydrocupration.","Journal of the American Chemical Society","2016","138","31","9787","9790","10.1021/jacs.6b06299","","","0.71073","MoKα","","0.0498","0.0444","","","0.1082","0.1112","","","","","","1.066","","","","has coordinates","241120","2020-10-21","18:00:00",""
"4130742","10.7037","0.0004","28.6071","0.001","9.3466","0.0003","90","","104.826","0.001","90","","2766.66","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H36 Cl N9 O9 -","- C19 H36 Cl N9 O9 -","- C76 H144 Cl4 N36 O36 -","4","1","","Maity, Arunava; Gangopadhyay, Monalisa; Basu, Arghya; Aute, Sunil; Babu, Sukumaran Santhosh; Das, Amitava","Counteranion Driven Homochiral Assembly of a Cationic C3-Symmetric Gelator through Ion-Pair Assisted Hydrogen Bond.","Journal of the American Chemical Society","2016","138","35","11113","11116","10.1021/jacs.6b06312","","","1.54178","CuKα","","0.0768","0.0722","","","0.2113","0.217","","","","","","1.003","","","","has coordinates","241121","2020-10-21","18:00:00",""
"4130743","18.376","0.005","7.384","0.002","26.915","0.007","90","","104.57","0.017","90","","3534.6","1.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 N9 O5 S -","- C30 H40 N9 O5 S -","- C120 H160 N36 O20 S4 -","4","1","","Maity, Arunava; Gangopadhyay, Monalisa; Basu, Arghya; Aute, Sunil; Babu, Sukumaran Santhosh; Das, Amitava","Counteranion Driven Homochiral Assembly of a Cationic C3-Symmetric Gelator through Ion-Pair Assisted Hydrogen Bond.","Journal of the American Chemical Society","2016","138","35","11113","11116","10.1021/jacs.6b06312","","","1.54178","CuKα","","0.2718","0.2114","","","0.5036","0.5381","","","","","","1.415","","","","has coordinates","241121","2020-10-21","18:00:00",""
"4130744","18.411","0.004","7.3949","0.0016","26.935","0.006","90","","104.741","0.012","90","","3546.4","1.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 N9 O5 S -","- C30 H40 N9 O5 S -","- C120 H160 N36 O20 S4 -","4","1","","Maity, Arunava; Gangopadhyay, Monalisa; Basu, Arghya; Aute, Sunil; Babu, Sukumaran Santhosh; Das, Amitava","Counteranion Driven Homochiral Assembly of a Cationic C3-Symmetric Gelator through Ion-Pair Assisted Hydrogen Bond.","Journal of the American Chemical Society","2016","138","35","11113","11116","10.1021/jacs.6b06312","","","1.54178","CuKα","","0.2643","0.1932","","","0.5014","0.523","","","","","","1.617","","","","has coordinates","241121","2020-10-21","18:00:00",""
"4130745","14.621","0.004","18.621","0.005","35.518","0.009","90","","94.254","0.003","90","","9643","4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C108 H82 B Cl F24 N2 P2 Pd S2 -","- C108 H82 B Cl F24 N2 P2 Pd S2 -","- C432 H328 B4 Cl4 F96 N8 P8 Pd4 S8 -","4","1","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","","0.71073","MoKα","","0.0477","0.0387","","","0.0918","0.0958","","","","","","1.032","","","","has coordinates,has disorder","241122","2020-10-21","18:00:00",""
"4130746","12.15","0.003","17.777","0.004","17.946","0.004","116.317","0.003","90.327","0.003","102.374","0.003","3371.2","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H50 B Cl3 F24 N2 S2 -","- C71 H50 B Cl3 F24 N2 S2 -","- C142 H100 B2 Cl6 F48 N4 S4 -","2","1","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","","0.71073","MoKα","","0.08","0.0688","","","0.1808","0.1876","","","","","","1.009","","","","has coordinates,has disorder","241122","2020-10-21","18:00:00",""
"4130747","15.027","0.003","20.486","0.004","20.641","0.004","60.504","0.003","86.726","0.003","89.857","0.003","5519.2","1.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C114 H94 B Cl F24 N2 P2 Pd -","- C114 H94 B Cl F24 N2 P2 Pd -","- C228 H188 B2 Cl2 F48 N4 P4 Pd2 -","2","1","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","","0.71073","MoKα","","0.0817","0.0706","","","0.191","0.2008","","","","","","1.109","","","","has coordinates,has disorder","241122","2020-10-21","18:00:00",""
"4130748","12.19","0.006","16.932","0.008","19.639","0.009","71.035","0.008","77.323","0.009","72.711","0.008","3626","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C82.25 H82.25 B Cl1.75 F4 N2 P2 Pd -","- C82.25 H82.25 B Cl1.75 F4 N2 P2 Pd -","- C164.5 H164.5 B2 Cl3.5 F8 N4 P4 Pd2 -","2","1","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","","0.71073","MoKα","","0.1983","0.1056","","","0.2099","0.2354","","","","","","1.048","","","","has coordinates,has disorder","241122","2020-10-21","18:00:00",""
"4130749","15.619","0.003","15.985","0.003","19.52","0.003","90.505","0.003","106.024","0.003","111.977","0.003","4309.3","1.3","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42.5 Cl4 N4 O -","- C42 H42.5 Cl4 N4 O -","- C168 H170 Cl16 N16 O4 -","4","2","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","","0.71073","MoKα","","0.1266","0.0953","","","0.2797","0.3037","","","","","","1.11","","","","has coordinates","241122","2020-10-21","18:00:00",""
"4130750","11.827","0.003","18.13","0.005","19.269","0.005","62.886","0.004","86.197","0.004","82.33","0.004","3644.7","1.7","100.15","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C77 H71 Cl N4 O P2 Pd -","- C77 H71 Cl N4 O P2 Pd -","- C154 H142 Cl2 N8 O2 P4 Pd2 -","2","1","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","x-ray","0.71073","MoKα","","0.0546","0.0388","","","0.0889","0.093","","","","","","1.009","","","","has coordinates","241122","2020-10-21","18:00:00",""
"4130751","17.769","0.006","19.107","0.006","20.541","0.007","70.719","0.005","82.106","0.005","89.436","0.005","6516","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C76.375 H71.875 Br N2 O4 P2 Pd -","- C76.375 H71.875 Br N2 O4 P2 Pd -","- C305.5 H287.5 Br4 N8 O16 P8 Pd4 -","4","2","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","","0.71073","MoKα","","0.2377","0.1264","","","0.2228","0.247","","","","","","1.087","","","","has coordinates,has disorder","241122","2020-10-21","18:00:00",""
"4130752","11.9738","0.0016","13.7936","0.0019","15.406","0.002","77.809","0.002","85.517","0.002","71.342","0.002","2356.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C112 H100 Br2 N2 O4 P4 Pd2 -","- C112 H100 Br2 N2 O4 P4 Pd2 -","- C112 H100 Br2 N2 O4 P4 Pd2 -","1","0.5","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","","0.71073","MoKα","","0.0433","0.0344","","","0.0948","0.0989","","","","","","0.997","","","","has coordinates,has disorder","241122","2020-10-21","18:00:00",""
"4130753","9.3355","0.0007","24.913","0.002","10.7218","0.0008","90","","90.679","0.001","90","","2493.5","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N2 O7 -","- C27 H28 N2 O7 -","- C108 H112 N8 O28 -","4","1","","Chen, Wenxin; Liu, Zheng; Tian, Jiaqi; Li, Jin; Ma, Jing; Cheng, Xu; Li, Guigen","Building Congested Ketone: Substituted Hantzsch Ester and Nitrile as Alkylation Reagents in Photoredox Catalysis.","Journal of the American Chemical Society","2016","138","38","12312","12315","10.1021/jacs.6b06379","","","0.71073","MoKα","","0.1185","0.0523","","","0.1332","0.155","","","","","","1.072","","","","has coordinates","241123","2020-10-21","18:00:00",""
"4130754","8.3624","0.0005","20.4468","0.0011","14.1835","0.0008","90","","94.472","0.004","90","","2417.8","0.2","110.15","","110.15","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 B Cl2 F4 Fe N2 Ni O2 S2 -","- C17 H25 B Cl2 F4 Fe N2 Ni O2 S2 -","- C68 H100 B4 Cl8 F16 Fe4 N8 Ni4 O8 S8 -","4","1","","Ding, Shengda; Ghosh, Pokhraj; Lunsford, Allen M.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Hemilabile Bridging Thiolates as Proton Shuttles in Bioinspired H<sub>2</sub> Production Electrocatalysts.","Journal of the American Chemical Society","2016","138","39","12920","12927","10.1021/jacs.6b06461","","","1.54178","CuKα","","0.1127","0.0747","","","0.1579","0.1771","","","","","","1.03","","","","has coordinates,has disorder","241124","2020-10-21","18:00:00",""
"4130755","23.578","0.003","30.074","0.004","12.5159","0.0017","90","","90","","90","","8875","2","150.15","","150.15","","","","","","","","","9","F d d 2","F 2 -2d","43","","","","- C15.4 H23.8 B Cl0.8 F4 Fe2 N3 O2 S2 -","- C15.4 H23.8 B Cl0.8 F4 Fe2 N3 O2 S2 -","- C246.4 H380.8 B16 Cl12.8 F64 Fe32 N48 O32 S32 -","16","1","","Ding, Shengda; Ghosh, Pokhraj; Lunsford, Allen M.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Hemilabile Bridging Thiolates as Proton Shuttles in Bioinspired H<sub>2</sub> Production Electrocatalysts.","Journal of the American Chemical Society","2016","138","39","12920","12927","10.1021/jacs.6b06461","","","0.71073","MoKα","","0.0314","0.0292","","","0.0776","0.0793","","","","","","1.057","","","","has coordinates","241124","2020-10-21","18:00:00",""
"4130756","25.518","0.009","7.333","0.003","22.821","0.008","90","","116.382","0.004","90","","3826","2","110.15","","110.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 B F4 Fe N2 Ni O S2 -","- C15 H23 B F4 Fe N2 Ni O S2 -","- C120 H184 B8 F32 Fe8 N16 Ni8 O8 S16 -","8","1","","Ding, Shengda; Ghosh, Pokhraj; Lunsford, Allen M.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Hemilabile Bridging Thiolates as Proton Shuttles in Bioinspired H<sub>2</sub> Production Electrocatalysts.","Journal of the American Chemical Society","2016","138","39","12920","12927","10.1021/jacs.6b06461","","","0.71073","MoKα","","0.0563","0.0368","","","0.0751","0.0837","","","","","","1.033","","","","has coordinates","241124","2020-10-21","18:00:00",""
"4130757","5.8732","0.0009","9.5089","0.0014","16.609","0.003","81.082","0.008","86.233","0.007","81.513","0.008","905.5","0.3","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C42 H46 S4 -","- C42 H46 S4 -","- C42 H46 S4 -","1","0.5","","Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.","Journal of the American Chemical Society","2016","138","32","10351","10355","10.1021/jacs.6b06486","","","0.71075","MoKα","","0.0665","0.055","","","0.15","0.1553","","","","","","1.01","","","","has coordinates","241125","2020-10-21","18:00:00",""
"4130758","7.6703","0.0006","21.0804","0.0008","22.2882","0.0009","70.261","0.004","80.257","0.005","89.482","0.005","3338.7","0.3","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H44 S2 -","- C46 H44 S2 -","- C184 H176 S8 -","4","2","","Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.","Journal of the American Chemical Society","2016","138","32","10351","10355","10.1021/jacs.6b06486","","","0.71073","MoKα","","0.168","0.0998","","","0.2443","0.3032","","","","","","1.037","","","","has coordinates","241126","2020-10-21","18:00:00",""
"4130759","18.49","0.03","6.052","0.007","19.25","0.03","90","","118.64","0.03","90","","1891","5","123","","123","","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C26 H22 S -","- C26 H22 S -","- C104 H88 S4 -","4","1","","Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.","Journal of the American Chemical Society","2016","138","32","10351","10355","10.1021/jacs.6b06486","","","0.71075","MoKα","","0.1901","0.0804","","","0.1847","0.2849","","","","","","1.057","","","","has coordinates,has disorder","241127","2020-10-21","18:00:00",""
"4130760","4.0008","0.0015","17.707","0.007","24.219","0.011","90","","90","","90","","1715.7","1.2","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br S -","- C22 H19 Br S -","- C88 H76 Br4 S4 -","4","1","","Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.","Journal of the American Chemical Society","2016","138","32","10351","10355","10.1021/jacs.6b06486","","","0.71075","MoKα","","0.0389","0.0326","","","0.0674","0.069","","","","","","0.948","","","","has coordinates","241128","2020-10-21","18:00:00",""
"4130761","10.6685","0.001","31.183","0.003","15.5232","0.0017","90","","106.984","0.002","90","","4939","0.9","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C66 H54 S3 -","- C66 H54 S3 -","- C264 H216 S12 -","4","1","","Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.","Journal of the American Chemical Society","2016","138","32","10351","10355","10.1021/jacs.6b06486","","","0.71075","MoKα","","0.0818","0.0588","","","0.1478","0.1843","","","","","","1.211","","","","has coordinates,has disorder","241129","2020-10-21","18:00:00",""
"4130762","19.9874","0.0005","27.2493","0.0006","37.9721","0.0009","90","","103.491","0.002","90","","20110.6","0.8","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C211 H228 S10 -","- C211 H228 S10 -","- C844 H912 S40 -","4","1","","Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.","Journal of the American Chemical Society","2016","138","32","10351","10355","10.1021/jacs.6b06486","","","0.71073","MoKα","","0.2783","0.1753","","","0.4409","0.4905","","","","","","1.552","","","","has coordinates,has disorder","241130","2020-10-21","18:00:00",""
"4130763","19.7473","0.001","5.675","0.0002","23.7866","0.0011","90","","103.491","0.005","90","","2592.1","0.2","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 S2 -","- C34 H32 S2 -","- C136 H128 S8 -","4","1","","Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.","Journal of the American Chemical Society","2016","138","32","10351","10355","10.1021/jacs.6b06486","","","0.71073","MoKα","","0.1026","0.0538","","","0.1305","0.1677","","","","","","1.035","","","","has coordinates","241131","2020-10-21","18:00:00",""
"4130764","14.669","0.0011","22.4404","0.0018","23.8287","0.0019","79.329","0.003","75.196","0.002","80.078","0.003","7387.6","1","120","2","120","","","","","","","","","8","P -1","-P 1","2","","","","- C119 H195 Cu Ge18 N P3 Pd3 Sn7 -","- C119 H195 Cu Ge18 N P3 Pd3 Sn7 -","- C238 H390 Cu2 Ge36 N2 P6 Pd6 Sn14 -","2","1","","Perla, Luis G.; Sevov, Slavi C.","A Stannyl-Decorated Zintl Ion [Ge18Pd3(Sn(i)Pr3)6](2-): Twinned Icosahedron with a Common Pd3-Face or 18-Vertex Hypho-Deltahedron with a Pd3-Triangle Inside.","Journal of the American Chemical Society","2016","138","31","9795","9798","10.1021/jacs.6b06545","","","0.71073","MoKα","","0.0632","0.0409","","","0.1027","0.1112","","","","","","1.001","","","","has coordinates,has disorder","241132","2020-10-21","18:00:00",""
"4130765","17.3152","0.0009","31.1602","0.0017","26.1732","0.0013","90","","96.851","0.002","90","","14020.8","1.3","120","2","120.01","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C96 H212 Ge18 K2 N4 O13 Pd3 Sn6 -","- C96 H207 Ge18 K2 N4 O13 Pd3 Sn6 -","- C384 H828 Ge72 K8 N16 O52 Pd12 Sn24 -","4","1","","Perla, Luis G.; Sevov, Slavi C.","A Stannyl-Decorated Zintl Ion [Ge18Pd3(Sn(i)Pr3)6](2-): Twinned Icosahedron with a Common Pd3-Face or 18-Vertex Hypho-Deltahedron with a Pd3-Triangle Inside.","Journal of the American Chemical Society","2016","138","31","9795","9798","10.1021/jacs.6b06545","","","0.71073","MoKα","","0.0725","0.0421","","","0.0978","0.1172","","","","","","1.035","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4130766","6.3424","0.0005","16.9401","0.0014","9.9234","0.0008","90","","103.876","0.0012","90","","1035.06","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","2","","Davis, Dexter C.; Walker, Katherine L.; Hu, Chunhua; Zare, Richard N.; Waymouth, Robert M.; Dai, Mingji","Catalytic Carbonylative Spirolactonization of Hydroxycyclopropanols.","Journal of the American Chemical Society","2016","138","33","10693","10699","10.1021/jacs.6b06573","","","0.71073","MoKα","","0.0358","0.0318","","","0.0773","0.0809","","","","","","1.05","","","","has coordinates","241134","2020-10-21","18:00:00",""
"4130767","8.5261","0.001","9.7486","0.0011","11.1669","0.0013","90","","107.702","0.0019","90","","884.22","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","","Davis, Dexter C.; Walker, Katherine L.; Hu, Chunhua; Zare, Richard N.; Waymouth, Robert M.; Dai, Mingji","Catalytic Carbonylative Spirolactonization of Hydroxycyclopropanols.","Journal of the American Chemical Society","2016","138","33","10693","10699","10.1021/jacs.6b06573","","","0.71073","MoKα","","0.0324","0.0316","","","0.0853","0.086","","","","","","1.051","","","","has coordinates","241135","2020-10-21","18:00:00",""
"4130768","17.152","0.008","5.834","0.003","13.48","0.006","90","","90","","90","","1348.9","1.1","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C64 H80 O12 -","4","1","","Davis, Dexter C.; Walker, Katherine L.; Hu, Chunhua; Zare, Richard N.; Waymouth, Robert M.; Dai, Mingji","Catalytic Carbonylative Spirolactonization of Hydroxycyclopropanols.","Journal of the American Chemical Society","2016","138","33","10693","10699","10.1021/jacs.6b06573","","","0.71073","MoKα","","0.0889","0.0595","","","0.1343","0.1489","","","","","","1.016","","","","has coordinates","241136","2020-10-21","18:00:00",""
"4130769","8.682","0.002","10.303","0.003","15.433","0.004","90","","101.054","0.004","90","","1354.9","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H48 O4 Si -","- C28 H48 O4 Si -","- C56 H96 O8 Si2 -","2","1","","Davis, Dexter C.; Walker, Katherine L.; Hu, Chunhua; Zare, Richard N.; Waymouth, Robert M.; Dai, Mingji","Catalytic Carbonylative Spirolactonization of Hydroxycyclopropanols.","Journal of the American Chemical Society","2016","138","33","10693","10699","10.1021/jacs.6b06573","","","0.71073","MoKα","","0.0664","0.0559","","","0.1423","0.1471","","","","","","1.129","","","","has coordinates","241137","2020-10-21","18:00:00",""
"4130770","5.9569","0.0003","10.5931","0.0005","15.0785","0.0007","90","","91.0247","0.0006","90","","951.33","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C40 H56 O16 -","4","1","","Davis, Dexter C.; Walker, Katherine L.; Hu, Chunhua; Zare, Richard N.; Waymouth, Robert M.; Dai, Mingji","Catalytic Carbonylative Spirolactonization of Hydroxycyclopropanols.","Journal of the American Chemical Society","2016","138","33","10693","10699","10.1021/jacs.6b06573","","","0.71073","MoKα","","0.0369","0.035","","","0.0907","0.0927","","","","","","1.07","","","","has coordinates","241138","2020-10-21","18:00:00",""
"4130771","18.1209","0.0019","6.9681","0.0007","17.8943","0.0018","90","","102.802","0.003","90","","2203.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Br O4 -","- C25 H27 Br O4 -","- C100 H108 Br4 O16 -","4","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","0.71073","MoKα","","0.0797","0.0458","","","0.0904","0.1017","","","","","","1.094","","","","has coordinates","241139","2020-10-21","18:00:00",""
"4130772","8.6715","0.0003","10.3828","0.0004","9.4244","0.0004","90","","100.887","0.002","90","","833.25","0.06","125","","125","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C38 H56 O6 -","2","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","x-ray","1.54178","CuKα","","0.0319","0.0299","","","0.0727","0.0739","","","","","","1.068","","","","has coordinates","241140","2020-10-21","18:00:00",""
"4130773","17.606","0.0005","10.2852","0.0003","19.9102","0.0006","90","","116.176","0.001","90","","3235.61","0.17","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","RR12-250-major","","","- C19 H24 O5 -","- C19 H24 O5 -","- C152 H192 O40 -","8","2","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","1.54178","CuKα","","0.0634","0.0589","","","0.1634","0.1687","","","","","","1.007","","","","has coordinates","241141","2020-10-21","18:00:00",""
"4130774","15.2396","0.0007","15.2396","0.0007","6.5378","0.0004","90","","90","","120","","1314.95","0.12","100","2","100","","","","","","","","","3","P 31","P 31","144","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C57 H66 O15 -","3","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","x-ray","1.54178","CuKα","","0.0496","0.0387","","","0.0816","0.0853","","","","","","1.034","","","","has coordinates","241142","2020-10-21","18:00:00",""
"4130775","10.0283","0.0014","6.7122","0.0009","14.1747","0.0019","90","","101.993","0.006","90","","933.3","0.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H26 O3 Si -","- C19 H26 O3 Si -","- C38 H52 O6 Si2 -","2","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","x-ray","1.54178","CuKα","","0.0286","0.028","","","0.073","0.0746","","","","","","1.043","","","","has coordinates","241143","2020-10-21","18:00:00",""
"4130776","11.1643","0.0006","11.8846","0.0006","12.7007","0.0007","75.011","0.003","76.716","0.003","89.935","0.003","1581.23","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","RR12-lactone","","","- C319 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","2","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","1.54178","CuKα","","0.1055","0.0887","","","0.2421","0.2606","","","","","","1.06","","","","has coordinates","241144","2020-10-21","18:00:00",""
"4130777","9.13","0.0017","7.6658","0.0014","21.832","0.005","90","","95.398","0.007","90","","1521.2","0.5","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","x-ray","0.71073","MoKα","","0.0693","0.051","","","0.1171","0.1294","","","","","","1.079","","","","has coordinates","241146","2020-10-21","18:00:00",""
"4130778","13.798","0.001","7.124","0.0006","16.8297","0.0013","90","","94.256","0.005","90","","1649.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","1.54178","CuKα","","0.0524","0.042","","","0.1074","0.1153","","","","","","1.03","","","","has coordinates","241147","2020-10-21","18:00:00",""
"4130779","10.3974","0.0008","12.7181","0.0009","13.2489","0.001","90","","112.175","0.002","90","","1622.4","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","0.71073","MoKα","","0.0541","0.0377","","","0.0896","0.0973","","","","","","1.015","","","","has coordinates","241148","2020-10-21","18:00:00",""
"4130780","21.5194","0.001","10.6148","0.0004","12.7272","0.0006","90","","102.271","0.002","90","","2840.8","0.2","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","RR12-043","","","- C17 H22 O2 -","- C17 H22 O2 -","- C136 H176 O16 -","8","2","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","0.71073","MoKα","","0.046","0.0381","","","0.1002","0.1066","","","","","","1.028","","","","has coordinates","241149","2020-10-21","18:00:00",""
"4130781","9.8414","0.001","24.468","0.003","7.9373","0.0009","90","","108.333","0.004","90","","1814.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RR12-264-minor","","","- C19 H25 I O5 -","- C19 H25 I O5 -","- C76 H100 I4 O20 -","4","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","0.71073","MoKα","","0.0444","0.0328","","","0.0678","0.0719","","","","","","1.038","","","","has coordinates","241150","2020-10-21","18:00:00",""
"4130782","10.931","0.0015","9.641","0.0013","13.213","0.002","90","","92.018","0.005","90","","1391.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","0.71073","MoKα","","0.0803","0.0507","","","0.1045","0.1187","","","","","","1.013","","","","has coordinates","241151","2020-10-21","18:00:00",""
"4130783","14.6942","0.0018","9.3324","0.0009","11.6047","0.0014","90","","90","","90","","1591.4","0.3","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H26 O3 -","- C18 H26 O3 -","- C72 H104 O12 -","4","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","0.71073","MoKα","","0.0592","0.0412","","","0.0854","0.0935","","","","","","1.003","","","","has coordinates","241152","2020-10-21","18:00:00",""
"4130784","22.5576","0.0004","25.9536","0.0004","26.6117","0.0004","102.011","0.001","93.562","0.001","100.843","0.001","14883.3","0.4","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C254 H205 F48 Fe4 N31 O2 Sb8 -","- C254 H205 F38.508 Fe4 N31 O2 Sb6.418 -","- C508 H410 F77.016 Fe8 N62 O4 Sb12.836 -","2","1","","Ronson, Tanya K.; Pilgrim, Ben S.; Nitschke, Jonathan R.","Pathway-Dependent Post-assembly Modification of an Anthracene-Edged M(II)4L6 Tetrahedron.","Journal of the American Chemical Society","2016","138","33","10417","10420","10.1021/jacs.6b06710","","","1.54178","CuKα","","0.1244","0.0973","","","0.306","0.3355","","","","","","1.368","","","","has coordinates,has disorder","241153","2020-10-21","18:00:00",""
"4130785","21.8874","0.0008","27.4261","0.0009","30.8088","0.0009","64.666","0.002","87.269","0.002","79.937","0.002","16450.7","1","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C313 H183 F48 Fe4 N26 Sb8 -","- C313 H183 F23.1 Fe4 N26 Sb3.85 -","- C626 H366 F46.2 Fe8 N52 Sb7.7 -","2","1","","Ronson, Tanya K.; Pilgrim, Ben S.; Nitschke, Jonathan R.","Pathway-Dependent Post-assembly Modification of an Anthracene-Edged M(II)4L6 Tetrahedron.","Journal of the American Chemical Society","2016","138","33","10417","10420","10.1021/jacs.6b06710","","","1.54178","CuKα","","0.1308","0.109","","","0.3123","0.3387","","","","","","1.045","","","","has coordinates,has disorder","241154","2020-10-21","18:00:00",""
"4130786","26.1142","0.0013","26.1142","0.0013","110.422","0.006","90","","90","","120","","65214","6","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C330 H165 Cl8 Fe4 N51 O32 -","- C329.994 H165 Cl5.7 Fe4 N51 O22.8 -","- C1979.96 H990 Cl34.2 Fe24 N306 O136.8 -","6","0.333333","","Ronson, Tanya K.; Pilgrim, Ben S.; Nitschke, Jonathan R.","Pathway-Dependent Post-assembly Modification of an Anthracene-Edged M(II)4L6 Tetrahedron.","Journal of the American Chemical Society","2016","138","33","10417","10420","10.1021/jacs.6b06710","","","1.54178","CuKα","","0.1701","0.1274","","","0.3501","0.3749","","","","","","1.227","","","","has coordinates,has disorder","241155","2020-10-21","18:00:00",""
"4130787","19.251","0.003","16.018","0.002","21.996","0.003","90","","92.636","0.002","90","","6775.6","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H90 Cl2 Fe N4 O3 Si2 -","- C71 H90.001 Cl2.001 Fe N4 O3 Si2.001 -","- C284 H360.004 Cl8.004 Fe4 N16 O12 Si8.004 -","4","1","","Hickox, Hunter P.; Wang, Yuzhong; Xie, Yaoming; Wei, Pingrong; Schaefer, 3rd, Henry F; Robinson, Gregory H.","Push-Pull Stabilization of Parent Monochlorosilylenes.","Journal of the American Chemical Society","2016","138","31","9799","9802","10.1021/jacs.6b06726","","","0.71073","MoKα","","0.101","0.0701","","","0.1892","0.2162","","","","","","1.042","","","","has coordinates,has disorder","241156","2020-10-21","18:00:00",""
"4130788","41.512","0.004","41.512","0.004","41.512","0.004","90","","90","","90","","71535","12","100","2","100.2","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- C1.17 H0.53 O0.24 Zr0.05 -","- C1.17343 H0.531365 O0.243542 Zr0.0479705 -","- C1272 H576 O264 Zr52 -","1084","22.5833","","Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Urban, Ania; Greene, Francis X.; Lan, Guangxu; Lin, Wenbin","Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles.","Journal of the American Chemical Society","2016","138","37","12234","12242","10.1021/jacs.6b06759","","","0.41328","synchrotronradiation","","0.2586","0.1276","","","0.3136","0.3628","","","","","","1.122","","","","has coordinates","241157","2020-10-21","18:00:00",""
"4130789","41.616","0.004","41.616","0.004","41.616","0.004","90","","90","","90","","72074","12","100","2","100","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- C2.17 O0.45 Zr0.09 -","- C2.16695 O0.449744 Zr0.088586 -","- C1272 O264 Zr52 -","587","12.2292","","Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Urban, Ania; Greene, Francis X.; Lan, Guangxu; Lin, Wenbin","Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles.","Journal of the American Chemical Society","2016","138","37","12234","12242","10.1021/jacs.6b06759","","","0.41328","synchrotronradiation","","0.1392","0.131","","","0.3539","0.3599","","","","","","1.159","","","","has coordinates","241158","2020-10-21","18:00:00",""
"4130790","41.516","0.002","41.516","0.002","41.516","0.002","90","","90","","90","","71556","6","100","2","99.95","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- C1.25 Hf0.05 O0.26 -","- C1.25197 Hf0.0511811 O0.259843 -","- C1272 Hf52 O264 -","1016","21.1667","","Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Urban, Ania; Greene, Francis X.; Lan, Guangxu; Lin, Wenbin","Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles.","Journal of the American Chemical Society","2016","138","37","12234","12242","10.1021/jacs.6b06759","","","0.41328","synchrotronradiation","","0.154","0.1145","","","0.2758","0.3046","","","","","","1.244","","","","has coordinates","241159","2020-10-21","18:00:00",""
"4130791","12.2629","0.0006","7.4837","0.0003","15.1106","0.0007","90","","106.601","0.005","90","","1328.93","0.11","150","","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","ammonium strontium hexacyanoferrate(II) dihydrate","","- C6 H12 Fe N8 O2 Sr -","- C6 H12 Fe N8 O2 Sr -","- C24 H48 Fe4 N32 O8 Sr4 -","4","0.5","","Duyker, Samuel G.; Hill, Joshua A.; Howard, Christopher J.; Goodwin, Andrew L.","Guest-Activated Forbidden Tilts in a Molecular Perovskite Analogue.","Journal of the American Chemical Society","2016","138","35","11121","11123","10.1021/jacs.6b06785","","x-ray","1.54184","CuKα","","0.0228","0.0207","","0.0592","0.0576","0.0592","","","","","","1.0021","","","","has coordinates","241160","2020-10-21","18:00:00",""
"4130792","7.4087","0.0004","7.5926","0.0004","10.7605","0.0006","90","","90.336","0.005","90","","605.28","0.06","300","","300.01","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ammonium strontium hexacyanoferrate(II)","","- C6 H8 Fe N8 Sr -","- C6 H8 Fe N8 Sr -","- C12 H16 Fe2 N16 Sr2 -","2","0.5","","Duyker, Samuel G.; Hill, Joshua A.; Howard, Christopher J.; Goodwin, Andrew L.","Guest-Activated Forbidden Tilts in a Molecular Perovskite Analogue.","Journal of the American Chemical Society","2016","138","35","11121","11123","10.1021/jacs.6b06785","","x-ray","1.54184","CuKα","","0.0575","0.0374","","0.1154","0.0989","0.1154","","","","","","1.0151","","","","has coordinates","241160","2020-10-21","18:00:00",""
"4130793","14.251","0.0007","13.1814","0.0005","9.2333","0.0004","90","","98.28","0.003","90","","1716.38","0.13","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 N4 Ni -","- C18 H26 N4 Ni -","- C72 H104 N16 Ni4 -","4","0.5","","Schultz, Jason W.; Fuchigami, Kei; Zheng, Bo; Rath, Nigam P.; Mirica, Liviu M.","Isolated Organometallic Nickel(III) and Nickel(IV) Complexes Relevant to Carbon-Carbon Bond Formation Reactions.","Journal of the American Chemical Society","2016","138","39","12928","12934","10.1021/jacs.6b06862","","","0.71073","MoKα","","0.0358","0.0263","","","0.0544","0.0591","","","","","","1.016","","","","has coordinates,has disorder","241161","2020-10-21","18:00:00",""
"4130794","8.96","0.0007","14.2611","0.001","16.7826","0.0012","88.779","0.004","75.985","0.004","73.867","0.004","1996.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H54 B N4 Ni O -","- C46 H54 B N4 Ni O -","- C92 H108 B2 N8 Ni2 O2 -","2","1","","Schultz, Jason W.; Fuchigami, Kei; Zheng, Bo; Rath, Nigam P.; Mirica, Liviu M.","Isolated Organometallic Nickel(III) and Nickel(IV) Complexes Relevant to Carbon-Carbon Bond Formation Reactions.","Journal of the American Chemical Society","2016","138","39","12928","12934","10.1021/jacs.6b06862","","","0.71073","MoKα","","0.0518","0.0389","","","0.0904","0.0966","","","","","","1.031","","","","has coordinates,has disorder","241161","2020-10-21","18:00:00",""
"4130795","11.5021","0.0009","17.8327","0.0013","12.9451","0.0011","90","","90.026","0.005","90","","2655.2","0.4","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C30 H40 N4 Ni O -","- C30 H40 N4 Ni O -","- C120 H160 N16 Ni4 O4 -","4","2","","Schultz, Jason W.; Fuchigami, Kei; Zheng, Bo; Rath, Nigam P.; Mirica, Liviu M.","Isolated Organometallic Nickel(III) and Nickel(IV) Complexes Relevant to Carbon-Carbon Bond Formation Reactions.","Journal of the American Chemical Society","2016","138","39","12928","12934","10.1021/jacs.6b06862","","","0.71073","MoKα","","0.0587","0.0508","","","0.1253","0.1316","","","","","","1.041","","","","has coordinates","241161","2020-10-21","18:00:00",""
"4130796","18.0244","0.0006","12.6029","0.0004","23.9084","0.0008","90","","98.41","0.0016","90","","5372.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H76 B N4 Ni O3 -","- C62 H76 B N4 Ni O3 -","- C248 H304 B4 N16 Ni4 O12 -","4","1","","Schultz, Jason W.; Fuchigami, Kei; Zheng, Bo; Rath, Nigam P.; Mirica, Liviu M.","Isolated Organometallic Nickel(III) and Nickel(IV) Complexes Relevant to Carbon-Carbon Bond Formation Reactions.","Journal of the American Chemical Society","2016","138","39","12928","12934","10.1021/jacs.6b06862","","","0.71073","MoKα","","0.097","0.0613","","","0.1446","0.166","","","","","","1.031","","","","has coordinates,has disorder","241161","2020-10-21","18:00:00",""
"4130797","9.2668","0.0005","16.5937","0.001","18.2485","0.0011","90","","92.739","0.003","90","","2802.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 F12 N6 Ni P2 -","- C20 H26 F12 N6 Ni P2 -","- C80 H104 F48 N24 Ni4 P8 -","4","1","","Schultz, Jason W.; Fuchigami, Kei; Zheng, Bo; Rath, Nigam P.; Mirica, Liviu M.","Isolated Organometallic Nickel(III) and Nickel(IV) Complexes Relevant to Carbon-Carbon Bond Formation Reactions.","Journal of the American Chemical Society","2016","138","39","12928","12934","10.1021/jacs.6b06862","","","0.71073","MoKα","","0.0919","0.0663","","","0.1834","0.2007","","","","","","1.03","","","","has coordinates","241161","2020-10-21","18:00:00",""
"4130798","5.945","0.0008","7.244","0.0011","40.577","0.007","90","","91.345","0.014","90","","1747","0.5","93","","93","","","","","","","","","2","P 1 c 1","P -2yc","7","","","","- C30 H20 -","- C30 H20 -","- C120 H80 -","4","2","","Yamaguchi, Yuji; Takubo, Maki; Ogawa, Keisuke; Nakayama, Ken-Ichi; Koganezawa, Tomoyuki; Katagiri, Hiroshi","Terazulene Isomers: Polarity Change of OFETs through Molecular Orbital Distribution Contrast.","Journal of the American Chemical Society","2016","138","35","11335","11343","10.1021/jacs.6b06877","","","0.71073","MoKα","","0.129","0.0678","","","0.1212","0.1421","","","","","","0.985","","","","has coordinates","241162","2020-10-21","18:00:00",""
"4130799","6.0461","0.0003","7.3963","0.0004","20.9073","0.0011","81.327","0.005","89.655","0.004","88.536","0.004","923.95","0.08","93","","93","","","","","","","","","2","P 1","P 1","1","","","","- C30 H20 -","- C30 H20 -","- C60 H40 -","2","2","","Yamaguchi, Yuji; Takubo, Maki; Ogawa, Keisuke; Nakayama, Ken-Ichi; Koganezawa, Tomoyuki; Katagiri, Hiroshi","Terazulene Isomers: Polarity Change of OFETs through Molecular Orbital Distribution Contrast.","Journal of the American Chemical Society","2016","138","35","11335","11343","10.1021/jacs.6b06877","","","0.71073","MoKα","","0.1131","0.0609","","","0.1277","0.152","","","","","","1.004","","","","has coordinates","241163","2020-10-21","18:00:00",""
"4130800","5.917","0.004","7.782","0.004","20.718","0.012","81.545","0.015","87.448","0.016","89.023","0.018","942.6","1","93","","93","","","","","","","","","2","P -1","-P 1","2","","","","- C30 H20 -","- C30 H20 -","- C60 H40 -","2","1","","Yamaguchi, Yuji; Takubo, Maki; Ogawa, Keisuke; Nakayama, Ken-Ichi; Koganezawa, Tomoyuki; Katagiri, Hiroshi","Terazulene Isomers: Polarity Change of OFETs through Molecular Orbital Distribution Contrast.","Journal of the American Chemical Society","2016","138","35","11335","11343","10.1021/jacs.6b06877","","","0.71073","MoKα","","0.1002","0.0614","","","0.1437","0.1664","","","","","","1.041","","","","has coordinates,has disorder","241165","2020-10-21","18:00:00",""
"4130801","6.1119","0.0003","10.41","0.0011","13.6296","0.0015","76.812","0.009","81.978","0.007","82.825","0.007","832.15","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 O3 S -","- C18 H18 O3 S -","- C36 H36 O6 S2 -","2","1","","Li, Yuanyuan; Qiu, Dachuan; Gu, Rongrong; Wang, Junli; Shi, Jiarong; Li, Yang","Aryne 1,2,3-Trifunctionalization with Aryl Allyl Sulfoxides.","Journal of the American Chemical Society","2016","138","34","10814","10817","10.1021/jacs.6b06981","","","0.71073","MoKα","","0.0817","0.0554","","","0.1335","0.1576","","","","","","1.048","","","","has coordinates","241166","2020-10-21","18:00:00",""
"4130802","8.5059","0.0003","10.5556","0.0003","11.4816","0.0004","90","","93.9911","0.0016","90","","1028.37","0.06","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H27 Au I P -","- C19 H27 Au I P -","- C38 H54 Au2 I2 P2 -","2","1","","Rekhroukh, Feriel; Estevez, Laura; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","β-Hydride Elimination at Low-Coordinate Gold(III) Centers.","Journal of the American Chemical Society","2016","138","36","11920","11929","10.1021/jacs.6b07035","","","0.71073","MoKα","","0.052","0.0436","","","0.109","0.1165","","","","","","1.092","","","","has coordinates","241167","2020-10-21","18:00:00",""
"4130803","8.2625","0.0005","13.7282","0.0008","32.2865","0.0019","90","","90","","90","","3662.2","0.4","193","2","193","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C17 H23 Au I P -","- C17 H23 Au I P -","- C136 H184 Au8 I8 P8 -","8","1","","Rekhroukh, Feriel; Estevez, Laura; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","β-Hydride Elimination at Low-Coordinate Gold(III) Centers.","Journal of the American Chemical Society","2016","138","36","11920","11929","10.1021/jacs.6b07035","","x-ray","0.71073","MoKα","","0.0519","0.0477","","","0.2184","0.2209","","","","","","1.901","","","","has coordinates","241168","2020-10-21","18:00:00",""
"4130804","17.6684","0.0006","50.2977","0.0016","7.4226","0.0003","90","","90","","90","","6596.3","0.4","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C304 H352 N32 O16 -","16","1","","McCreanor, Niall G.; Stanton, Steven; Bower, John F.","Capture-Collapse Heterocyclization: 1,3-Diazepanes by C-N Reductive Elimination from Rhodacyclopentanones.","Journal of the American Chemical Society","2016","138","36","11465","11468","10.1021/jacs.6b07046","","","0.71073","MoKα","","0.0473","0.0402","","","0.092","0.0962","","","","","","1.046","","","","has coordinates,has disorder","241169","2020-10-21","18:00:00",""
"4130805","9.614","0.002","10.268","0.002","10.553","0.002","67.181","0.004","83.169","0.004","84.093","0.004","951.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C44 H48 N4 O8 -","2","1","","McCreanor, Niall G.; Stanton, Steven; Bower, John F.","Capture-Collapse Heterocyclization: 1,3-Diazepanes by C-N Reductive Elimination from Rhodacyclopentanones.","Journal of the American Chemical Society","2016","138","36","11465","11468","10.1021/jacs.6b07046","","","1.54178","CuKα","","0.0524","0.0521","","","0.1565","0.157","","","","","","1.116","","","","has coordinates","241170","2020-10-21","18:00:00",""
"4130806","16.4142","0.0005","10.5216","0.0003","19.1349","0.0006","90","","101.713","0.0016","90","","3235.85","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N2 O2 S -","- C18 H18 N2 O2 S -","- C144 H144 N16 O16 S8 -","8","1","","McCreanor, Niall G.; Stanton, Steven; Bower, John F.","Capture-Collapse Heterocyclization: 1,3-Diazepanes by C-N Reductive Elimination from Rhodacyclopentanones.","Journal of the American Chemical Society","2016","138","36","11465","11468","10.1021/jacs.6b07046","","","0.71073","MoKα","","0.0403","0.0337","","","0.0843","0.0881","","","","","","1.035","","","","has coordinates","241171","2020-10-21","18:00:00",""
"4130807","12.2774","0.0005","18.0919","0.0007","16.3936","0.0007","90","","94.5253","0.0017","90","","3630","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","C41 H42 Cl Co N4 P","","- C41 H42.18 Cl1.12 Co N4 P -","- C41 H42.18 Cl1.123 Co N4 P -","- C164 H168.72 Cl4.492 Co4 N16 P4 -","4","1","","Tokmic, Kenan; Markus, Charles R.; Zhu, Lingyang; Fout, Alison R.","Well-Defined Cobalt(I) Dihydrogen Catalyst: Experimental Evidence for a Co(I)/Co(III) Redox Process in Olefin Hydrogenation.","Journal of the American Chemical Society","2016","138","36","11907","11913","10.1021/jacs.6b07066","","","0.71073","MoKα","","0.072","0.0443","","","0.0915","0.1006","","","","","","1.016","","","","has coordinates,has disorder","241172","2020-10-21","18:00:00",""
"4130808","7.8946","0.0003","16.5851","0.0005","27.3473","0.001","90","","94.4478","0.0012","90","","3569.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H42 Co N6 P -","- C41 H42 Co N6 P -","- C164 H168 Co4 N24 P4 -","4","1","","Tokmic, Kenan; Markus, Charles R.; Zhu, Lingyang; Fout, Alison R.","Well-Defined Cobalt(I) Dihydrogen Catalyst: Experimental Evidence for a Co(I)/Co(III) Redox Process in Olefin Hydrogenation.","Journal of the American Chemical Society","2016","138","36","11907","11913","10.1021/jacs.6b07066","","","0.71073","MoKα","","0.0503","0.0386","","","0.087","0.0919","","","","","","1.098","","","","has coordinates","241172","2020-10-21","18:00:00",""
"4130809","6.782","0.0008","16.6525","0.0019","12.2196","0.0014","90","","100.039","0.004","90","","1358.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H19 B10 N O -","- C6 H19 B10 N O -","- C24 H76 B40 N4 O4 -","4","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Transition Metal Catalyzed Direct Amination of the Cage B(4)-H Bond in o-Carboranes: Synthesis of Tertiary, Secondary, and Primary o-Carboranyl Amines.","Journal of the American Chemical Society","2016","138","39","12727","12730","10.1021/jacs.6b07086","","","0.71073","MoKα","","0.1706","0.094","","","0.1897","0.223","","","","","","1.071","","","","has coordinates","241173","2020-10-21","18:00:00",""
"4130810","29.8616","0.0006","6.6361","0.0001","20.4917","0.0004","90","","99.0968","0.0017","90","","4009.66","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H30 B10 N2 O2 -","- C12 H30 B10 N2 O2 -","- C96 H240 B80 N16 O16 -","8","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Transition Metal Catalyzed Direct Amination of the Cage B(4)-H Bond in o-Carboranes: Synthesis of Tertiary, Secondary, and Primary o-Carboranyl Amines.","Journal of the American Chemical Society","2016","138","39","12727","12730","10.1021/jacs.6b07086","","","0.71073","MoKα","","0.0669","0.0524","","","0.1481","0.1587","","","","","","1.054","","","","has coordinates","241173","2020-10-21","18:00:00",""
"4130811","8.0349","0.0017","18.023","0.004","12.072","0.003","90","","96.799","0.008","90","","1735.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H25 B10 N O2 -","- C10 H24 B10 N O2 -","- C40 H96 B40 N4 O8 -","4","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Transition Metal Catalyzed Direct Amination of the Cage B(4)-H Bond in o-Carboranes: Synthesis of Tertiary, Secondary, and Primary o-Carboranyl Amines.","Journal of the American Chemical Society","2016","138","39","12727","12730","10.1021/jacs.6b07086","","","0.71073","MoKα","","0.1492","0.0935","","","0.2646","0.3276","","","","","","1.033","","","","has coordinates","241173","2020-10-21","18:00:00",""
"4130812","24.2592","0.0012","7.3926","0.0003","19.8972","0.001","90","","98.5493","0.0016","90","","3528.7","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H21 B10 N O2 S -","- C10 H21 B10 N O2 S -","- C80 H168 B80 N8 O16 S8 -","8","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Transition Metal Catalyzed Direct Amination of the Cage B(4)-H Bond in o-Carboranes: Synthesis of Tertiary, Secondary, and Primary o-Carboranyl Amines.","Journal of the American Chemical Society","2016","138","39","12727","12730","10.1021/jacs.6b07086","","","0.71073","MoKα","","0.066","0.0539","","","0.1435","0.1544","","","","","","1.031","","","","has coordinates","241173","2020-10-21","18:00:00",""
"4130813","25.0743","0.0011","7.4905","0.0003","19.9945","0.0009","90","","101.104","0.0013","90","","3685","0.3","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H21 B10 N O3 S -","- C10 H21 B10 N O3 S -","- C80 H168 B80 N8 O24 S8 -","8","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Transition Metal Catalyzed Direct Amination of the Cage B(4)-H Bond in o-Carboranes: Synthesis of Tertiary, Secondary, and Primary o-Carboranyl Amines.","Journal of the American Chemical Society","2016","138","39","12727","12730","10.1021/jacs.6b07086","","","0.71073","MoKα","","0.1048","0.0922","","","0.2578","0.2747","","","","","","1.058","","","","has coordinates","241173","2020-10-21","18:00:00",""
"4130814","14.713","0.0016","11.1639","0.0012","16.1379","0.0019","90","","103.704","0.002","90","","2575.3","0.5","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H48 Cl4 O8 -","- C60 H48 Cl4 O8 -","- C120 H96 Cl8 O16 -","2","1","","Xiong, Jia-Bin; Feng, Hai-Tao; Sun, Jian-Ping; Xie, Wen-Zhao; Yang, Dong; Liu, Minghua; Zheng, Yan-Song","The Fixed Propeller-Like Conformation of Tetraphenylethylene that Reveals Aggregation-Induced Emission Effect, Chiral Recognition, and Enhanced Chiroptical Property.","Journal of the American Chemical Society","2016","138","36","11469","11472","10.1021/jacs.6b07087","","","0.71073","MoKα","","0.0702","0.0519","","","0.1105","0.1199","","","","","","1.028","","","","has coordinates","241174","2020-10-21","18:00:00",""
"4130815","14.7006","0.0013","11.1469","0.0009","16.1292","0.0014","90","","103.773","0.002","90","","2567","0.4","113","","113","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H48 Cl4 O8 -","- C60 H48 Cl4 O8 -","- C120 H96 Cl8 O16 -","2","1","","Xiong, Jia-Bin; Feng, Hai-Tao; Sun, Jian-Ping; Xie, Wen-Zhao; Yang, Dong; Liu, Minghua; Zheng, Yan-Song","The Fixed Propeller-Like Conformation of Tetraphenylethylene that Reveals Aggregation-Induced Emission Effect, Chiral Recognition, and Enhanced Chiroptical Property.","Journal of the American Chemical Society","2016","138","36","11469","11472","10.1021/jacs.6b07087","","","0.71073","MoKα","","0.0277","0.0265","","","0.0714","0.072","","","","","","1.055","","","","has coordinates,has disorder","241175","2020-10-21","18:00:00",""
"4130816","29.664","0.006","11.951","0.002","26.712","0.005","90","","105.51","0.03","90","","9125","3","113.15","","113.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H34 Cl2 O8 -","- C47 H34 Cl2 O8 -","- C376 H272 Cl16 O64 -","8","1","","Xiong, Jia-Bin; Feng, Hai-Tao; Sun, Jian-Ping; Xie, Wen-Zhao; Yang, Dong; Liu, Minghua; Zheng, Yan-Song","The Fixed Propeller-Like Conformation of Tetraphenylethylene that Reveals Aggregation-Induced Emission Effect, Chiral Recognition, and Enhanced Chiroptical Property.","Journal of the American Chemical Society","2016","138","36","11469","11472","10.1021/jacs.6b07087","","","0.71073","MoKα","","0.0618","0.0519","","","0.1594","0.1672","","","","","","1.107","","","","has coordinates","241176","2020-10-21","18:00:00",""
"4130817","43.667","0.003","14.9611","0.0006","31.555","0.002","90","","133.563","0.012","90","","14938","3","113","","113","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H48 Cl4 O8 -","- C60 H48 Cl4 O8 -","- C720 H576 Cl48 O96 -","12","1.5","","Xiong, Jia-Bin; Feng, Hai-Tao; Sun, Jian-Ping; Xie, Wen-Zhao; Yang, Dong; Liu, Minghua; Zheng, Yan-Song","The Fixed Propeller-Like Conformation of Tetraphenylethylene that Reveals Aggregation-Induced Emission Effect, Chiral Recognition, and Enhanced Chiroptical Property.","Journal of the American Chemical Society","2016","138","36","11469","11472","10.1021/jacs.6b07087","","","0.71073","MoKα","","0.0577","0.0452","","","0.1113","0.1197","","","","","","1.02","","","","has coordinates,has disorder","241177","2020-10-21","18:00:00",""
"4130818","9.4658","0.0004","11.3757","0.0004","19.3517","0.0007","90","","90","","90","","2083.79","0.14","100.15","","100.15","","","","","","","","","6","P 21 n b","P -2bc 2a","33","","C22H23ClNO2S2","","- C22 H23 Cl N O2 S2 -","- C22 H23 Cl N O2 S2 -","- C88 H92 Cl4 N4 O8 S8 -","4","1","","Kennemur, Jennifer L.; Kortman, Gregory D.; Hull, Kami L.","Rhodium-Catalyzed Regiodivergent Hydrothiolation of Allyl Amines and Imines.","Journal of the American Chemical Society","2016","138","36","11914","11919","10.1021/jacs.6b07142","","x-ray","0.71073","MoKα","","0.0588","0.0463","","","0.1159","0.121","","","","","","1.017","","","","has coordinates","241178","2020-10-21","18:00:00",""
"4130819","10.587","0.005","5.476","0.003","15.006","0.008","90","","98.981","0.007","90","","859.3","0.8","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 Br N4 O2 -","- C17 H16 Br N4 O2 -","- C34 H32 Br2 N8 O4 -","2","1","","Momiyama, Norie; Tabuse, Hideaki; Noda, Hirofumi; Yamanaka, Masahiro; Fujinami, Takeshi; Yamanishi, Katsunori; Izumiseki, Atsuto; Funayama, Kosuke; Egawa, Fuyuki; Okada, Shino; Adachi, Hiroaki; Terada, Masahiro","Molecular Design of a Chiral Brønsted Acid with Two Different Acidic Sites: Regio-, Diastereo-, and Enantioselective Hetero-Diels-Alder Reaction of Azopyridinecarboxylate with Amidodienes Catalyzed by Chiral Carboxylic Acid-Monophosphoric Acid.","Journal of the American Chemical Society","2016","138","35","11353","11359","10.1021/jacs.6b07150","","","0.71075","MoKα","","0.0318","0.0265","","","0.0448","0.0459","","","","","","1.118","","","","has coordinates","241179","2020-10-21","18:00:00",""
"4130820","6.7967","0.0014","15.8","0.004","23.896","0.005","90","","90","","90","","2566.1","1","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Br F3 N4 O4 -","- C26 H22 Br F3 N4 O4 -","- C104 H88 Br4 F12 N16 O16 -","4","1","","Momiyama, Norie; Tabuse, Hideaki; Noda, Hirofumi; Yamanaka, Masahiro; Fujinami, Takeshi; Yamanishi, Katsunori; Izumiseki, Atsuto; Funayama, Kosuke; Egawa, Fuyuki; Okada, Shino; Adachi, Hiroaki; Terada, Masahiro","Molecular Design of a Chiral Brønsted Acid with Two Different Acidic Sites: Regio-, Diastereo-, and Enantioselective Hetero-Diels-Alder Reaction of Azopyridinecarboxylate with Amidodienes Catalyzed by Chiral Carboxylic Acid-Monophosphoric Acid.","Journal of the American Chemical Society","2016","138","35","11353","11359","10.1021/jacs.6b07150","","","0.71075","MoKα","","0.1145","0.0929","","","0.147","0.1556","","","","","","1.21","","","","has coordinates","241180","2020-10-21","18:00:00",""
"4130821","9.777","0.0018","14.488","0.003","38.079","0.007","90","","90","","90","","5393.9","1.8","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C65 H63 O8 P Si -","- C65 H63 O8 P Si -","- C260 H252 O32 P4 Si4 -","4","1","","Momiyama, Norie; Tabuse, Hideaki; Noda, Hirofumi; Yamanaka, Masahiro; Fujinami, Takeshi; Yamanishi, Katsunori; Izumiseki, Atsuto; Funayama, Kosuke; Egawa, Fuyuki; Okada, Shino; Adachi, Hiroaki; Terada, Masahiro","Molecular Design of a Chiral Brønsted Acid with Two Different Acidic Sites: Regio-, Diastereo-, and Enantioselective Hetero-Diels-Alder Reaction of Azopyridinecarboxylate with Amidodienes Catalyzed by Chiral Carboxylic Acid-Monophosphoric Acid.","Journal of the American Chemical Society","2016","138","35","11353","11359","10.1021/jacs.6b07150","","","0.71075","MoKα","","0.0734","0.0584","","","0.1092","0.1171","","","","","","1.007","","","","has coordinates,has disorder","241181","2020-10-21","18:00:00",""
"4130822","19.097","0.001","24.0131","0.0013","29.8101","0.0015","88.62","0.002","89.464","0.002","71.411","0.002","12953.3","1.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C208 H234 Au44 S26 -","- C205 H215 Au44 S26 -","- C410 H430 Au88 S52 -","2","1","","Liao, Lingwen; Zhuang, Shengli; Yao, Chuanhao; Yan, Nan; Chen, Jishi; Wang, Chengming; Xia, Nan; Liu, Xu; Li, Man-Bo; Li, Lingling; Bao, Xiaoli; Wu, Zhikun","Structure of Chiral Au44(2,4-DMBT)26 Nanocluster with an 18-Electron Shell Closure.","Journal of the American Chemical Society","2016","138","33","10425","10428","10.1021/jacs.6b07178","","","1.54178","CuKα","","0.1666","0.1398","","","0.365","0.4009","","","","","","1.644","","","","has coordinates","241182","2020-10-21","18:00:00",""
"4130823","14.135","0.006","12.502","0.006","9.632","0.004","90","","100.507","0.006","90","","1673.6","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 F7 N O2 -","- C14 H18 F7 N O2 -","- C56 H72 F28 N4 O8 -","4","1","","Lu, Deng-Fu; Zhu, Cheng-Liang; Sears, Jeffrey D.; Xu, Hao","Iron(II)-Catalyzed Intermolecular Aminofluorination of Unfunctionalized Olefins Using Fluoride Ion.","Journal of the American Chemical Society","2016","138","35","11360","11367","10.1021/jacs.6b07221","","","0.71073","MoKα","","0.0994","0.0614","","","0.1476","0.1748","","","","","","1.046","","","","has coordinates","241183","2020-10-21","18:00:00",""
"4130824","13.3576","0.0015","13.3576","0.0015","16.362","0.002","90","","90","","90","","2919.4","0.6","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C13 H10 F7 N O2 -","- C12.9999 H10 F6.9997 N O2 -","- C103.999 H80 F55.9976 N8 O16 -","8","1","","Lu, Deng-Fu; Zhu, Cheng-Liang; Sears, Jeffrey D.; Xu, Hao","Iron(II)-Catalyzed Intermolecular Aminofluorination of Unfunctionalized Olefins Using Fluoride Ion.","Journal of the American Chemical Society","2016","138","35","11360","11367","10.1021/jacs.6b07221","","","1.54178","CuKα","","0.0333","0.0326","","","0.0882","0.0889","","","","","","1.022","","","","has coordinates,has disorder","241184","2020-10-21","18:00:00",""
"4130825","16.8624","0.0011","18.8653","0.0013","22.9188","0.0016","90","","90","","90","","7290.8","0.9","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H41 B2 F8 Fe N7 O4 -","- C32 H41 B2 F8 Fe N7 O4 -","- C256 H328 B16 F64 Fe8 N56 O32 -","8","1","","Lu, Deng-Fu; Zhu, Cheng-Liang; Sears, Jeffrey D.; Xu, Hao","Iron(II)-Catalyzed Intermolecular Aminofluorination of Unfunctionalized Olefins Using Fluoride Ion.","Journal of the American Chemical Society","2016","138","35","11360","11367","10.1021/jacs.6b07221","","","0.71073","MoKα","","0.0535","0.0436","","","0.1174","0.1261","","","","","","1.02","","","","has coordinates","241185","2020-10-21","18:00:00",""
"4130826","8.4516","0.0009","13.5668","0.0015","11.368","0.0013","90","","97.205","0.0017","90","","1293.2","0.2","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H26 B2 F8 Fe N4 O4 -","- C17 H26 B2 F8 Fe N4 O4 -","- C34 H52 B4 F16 Fe2 N8 O8 -","2","1","","Lu, Deng-Fu; Zhu, Cheng-Liang; Sears, Jeffrey D.; Xu, Hao","Iron(II)-Catalyzed Intermolecular Aminofluorination of Unfunctionalized Olefins Using Fluoride Ion.","Journal of the American Chemical Society","2016","138","35","11360","11367","10.1021/jacs.6b07221","","","0.71073","MoKα","","0.0463","0.0447","","","0.1195","0.1214","","","","","","1.043","","","","has coordinates,has disorder","241186","2020-10-21","18:00:00",""
"4130827","18.608","0.004","10.59","0.002","20.591","0.005","90","","98.67","0.003","90","","4011.3","1.5","173.15","","173.15","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C36 H28 B2 F20 N2 O3 S2 -","- C36 H28 B2 F20 N2 O3 S2 -","- C144 H112 B8 F80 N8 O12 S8 -","4","1","","Li, Songlei; Li, Gen; Meng, Wei; Du, Haifeng","A Frustrated Lewis Pair Catalyzed Asymmetric Transfer Hydrogenation of Imines Using Ammonia Borane.","Journal of the American Chemical Society","2016","138","39","12956","12962","10.1021/jacs.6b07245","","","0.71073","MoKα","","0.0436","0.0415","","","0.0991","0.1008","","","","","","1.069","","","","has coordinates,has disorder","241187","2020-10-21","18:00:00",""
"4130828","14.4739","0.0006","16.2599","0.0007","14.1217","0.0006","90","","110.575","0.002","90","","3111.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","JL-III-050B","sarpong84","","- C31 H38 N2 O11 S -","- C31 H38 N2 O11 S -","- C124 H152 N8 O44 S4 -","4","1","","Kou, Kevin G. M.; Li, Beryl X.; Lee, Jack C.; Gallego, Gary M.; Lebold, Terry P.; DiPasquale, Antonio G.; Sarpong, Richmond","Syntheses of Denudatine Diterpenoid Alkaloids: Cochlearenine, N-Ethyl-1α-hydroxy-17-veratroyldictyzine, and Paniculamine.","Journal of the American Chemical Society","2016","138","34","10830","10833","10.1021/jacs.6b07268","","","1.54178","CuKα","","0.0496","0.0427","","","0.1121","0.1179","","","","","","1.009","","","","has coordinates,has disorder","241188","2020-10-21","18:00:00",""
"4130829","9.5745","0.0006","17.2047","0.0012","12.0212","0.0008","90","","103.504","0.003","90","","1925.5","0.2","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","KK3-106-3","sarpong132","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","2","","Kou, Kevin G. M.; Li, Beryl X.; Lee, Jack C.; Gallego, Gary M.; Lebold, Terry P.; DiPasquale, Antonio G.; Sarpong, Richmond","Syntheses of Denudatine Diterpenoid Alkaloids: Cochlearenine, N-Ethyl-1α-hydroxy-17-veratroyldictyzine, and Paniculamine.","Journal of the American Chemical Society","2016","138","34","10830","10833","10.1021/jacs.6b07268","","","1.54178","CuKα","","0.029","0.0286","","","0.0756","0.076","","","","","","1.048","","","","has coordinates","241189","2020-10-21","18:00:00",""
"4130830","23.9341","0.0008","11.7122","0.0004","16.9699","0.0005","90","","109.488","0.002","90","","4484.5","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","KK2-075","sarpong121","","- C25 H35 N O6 -","- C25 H35 N O6 -","- C200 H280 N8 O48 -","8","1","","Kou, Kevin G. M.; Li, Beryl X.; Lee, Jack C.; Gallego, Gary M.; Lebold, Terry P.; DiPasquale, Antonio G.; Sarpong, Richmond","Syntheses of Denudatine Diterpenoid Alkaloids: Cochlearenine, N-Ethyl-1α-hydroxy-17-veratroyldictyzine, and Paniculamine.","Journal of the American Chemical Society","2016","138","34","10830","10833","10.1021/jacs.6b07268","","","0.71073","MoKα","","0.0655","0.0541","","","0.1426","0.1549","","","","","","1.036","","","","has coordinates","241190","2020-10-21","18:00:00",""
"4130831","6.7056","0.0005","19.1395","0.0013","14.5164","0.001","90","","98.255","0.004","90","","1843.8","0.2","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","KK3-129-4","sarpong133","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","1","","Kou, Kevin G. M.; Li, Beryl X.; Lee, Jack C.; Gallego, Gary M.; Lebold, Terry P.; DiPasquale, Antonio G.; Sarpong, Richmond","Syntheses of Denudatine Diterpenoid Alkaloids: Cochlearenine, N-Ethyl-1α-hydroxy-17-veratroyldictyzine, and Paniculamine.","Journal of the American Chemical Society","2016","138","34","10830","10833","10.1021/jacs.6b07268","","","1.54178","CuKα","","0.0757","0.071","","","0.167","0.1696","","","","","","1.161","","","","has coordinates","241191","2020-10-21","18:00:00",""
"4130832","6.7971","0.0003","17.5258","0.0008","8.2107","0.0003","90","","91.635","0.002","90","","977.7","0.07","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","KK2-168","sarpong124","","- C23 H29 N O5 -","- C23 H29 N O5 -","- C46 H58 N2 O10 -","2","1","","Kou, Kevin G. M.; Li, Beryl X.; Lee, Jack C.; Gallego, Gary M.; Lebold, Terry P.; DiPasquale, Antonio G.; Sarpong, Richmond","Syntheses of Denudatine Diterpenoid Alkaloids: Cochlearenine, N-Ethyl-1α-hydroxy-17-veratroyldictyzine, and Paniculamine.","Journal of the American Chemical Society","2016","138","34","10830","10833","10.1021/jacs.6b07268","","","1.54178","CuKα","","0.0252","0.0251","","","0.0636","0.0636","","","","","","1.052","","","","has coordinates","241192","2020-10-21","18:00:00",""
"4130833","25.0036","0.0009","25.0036","0.0009","23.9683","0.0008","90","","90","","90","","14984.5","0.9","100","","100","","","","","","","","","6","I 4","I 4","79","","","","- C67.5 H55.5 Cl8.5 N5 O3.25 Rh -","- C67.5 H55.5 Cl8.5 N5 O3.25 Rh -","- C540 H444 Cl68 N40 O26 Rh8 -","8","1","","Nakamura, Munechika; Kishimoto, Kazuki; Kobori, Yasuhiro; Abe, Tomoka; Yoza, Kenji; Kobayashi, Kenji","Self-Assembled Molecular Gear: A 4:1 Complex of Rh(III)Cl Tetraarylporphyrin and Tetra(p-pyridyl)cavitand.","Journal of the American Chemical Society","2016","138","38","12564","12577","10.1021/jacs.6b07284","","","0.71073","MoKα","","0.1006","0.0837","","","0.23","0.2459","","","","","","1.065","","","","has coordinates,has disorder","241193","2020-10-21","18:00:00",""
"4130834","7.9066","0.0005","17.551","0.0013","22.4279","0.0018","90","","90","","90","","3112.3","0.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 Cl3 Mg N3 O -","- C30 H44 Cl3 Mg N3 O -","- C120 H176 Cl12 Mg4 N12 O4 -","4","1","","Rosen, Tomer; Goldberg, Israel; Venditto, Vincenzo; Kol, Moshe","Tailor-Made Stereoblock Copolymers of Poly(lactic acid) by a Truly Living Polymerization Catalyst.","Journal of the American Chemical Society","2016","138","37","12041","12044","10.1021/jacs.6b07287","","","0.71073","MoKα","","0.0733","0.0634","","","0.1638","0.1718","","","","","","1.045","","","","has coordinates","241194","2020-10-21","18:00:00",""
"4130835","31.894","0.002","15.394","0.001","7.9405","0.0005","90","","90","","90","","3898.6","0.4","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H53 Cl Hf Si2 Sn -","- C40 H53 Cl Hf Si2 Sn -","- C160 H212 Cl4 Hf4 Si8 Sn4 -","4","0.5","","Kuwabara, Takuya; Nakada, Marisa; Hamada, Jumpei; Guo, Jing Dong; Nagase, Shigeru; Saito, Masaichi","(η(4)-Butadiene)Sn(0) Complexes: A New Approach for Zero-Valent p-Block Elements Utilizing a Butadiene as a 4π-Electron Donor.","Journal of the American Chemical Society","2016","138","35","11378","11382","10.1021/jacs.6b07304","","","0.71073","MoKα","","0.0483","0.0387","","","0.0779","0.0811","","","","","","1.099","","","","has coordinates","241195","2020-10-21","18:00:00",""
"4130836","8.0406","0.0004","15.0059","0.0007","33.2314","0.0016","90","","90","","90","","4009.6","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H58 Hf O Si2 Sn -","- C42 H58 Hf O Si2 Sn -","- C168 H232 Hf4 O4 Si8 Sn4 -","4","1","","Kuwabara, Takuya; Nakada, Marisa; Hamada, Jumpei; Guo, Jing Dong; Nagase, Shigeru; Saito, Masaichi","(η(4)-Butadiene)Sn(0) Complexes: A New Approach for Zero-Valent p-Block Elements Utilizing a Butadiene as a 4π-Electron Donor.","Journal of the American Chemical Society","2016","138","35","11378","11382","10.1021/jacs.6b07304","","","0.71073","MoKα","","0.037","0.0331","","","0.0623","0.0637","","","","","","1.001","","","","has coordinates","241195","2020-10-21","18:00:00",""
"4130837","9.229","0.002","10.253","0.003","11.671","0.003","89.69","0.02","77.64","0.02","64.1","0.03","965.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H64 N2 Si2 -","- C40 H64 N2 Si2 -","- C40 H64 N2 Si2 -","1","0.5","","Mohapatra, Chandrajeet; Kundu, Subrata; Paesch, Alexander N.; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; Frenking, Gernot; Roesky, Herbert W.","The Structure of the Carbene Stabilized Si2H2 May Be Equally Well Described with Coordinate Bonds as with Classical Double Bonds.","Journal of the American Chemical Society","2016","138","33","10429","10432","10.1021/jacs.6b07361","","","0.71073","MoKα","","0.0557","0.0387","","","0.0775","0.0848","","","","","","1.03","","","","has coordinates","241196","2020-10-21","18:00:00",""
"4130838","6.3276","0.0011","15.14","0.003","14.425","0.003","90","","94.901","0.005","90","","1376.9","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O -","- C16 H23 N O -","- C64 H92 N4 O4 -","4","2","","Guo, Wusheng; Martínez-Rodríguez, Luis; Kuniyil, Rositha; Martin, Eddy; Escudero-Adán, Eduardo C; Maseras, Feliu; Kleij, Arjan W.","Stereoselective and Versatile Preparation of Tri- and Tetrasubstituted Allylic Amine Scaffolds under Mild Conditions.","Journal of the American Chemical Society","2016","138","36","11970","11978","10.1021/jacs.6b07382","","","0.71073","MoKα","","0.0436","0.041","","","0.1112","0.1135","","","","","","1.059","","","","has coordinates","241197","2020-10-21","18:00:00",""
"4130839","30.582","0.005","12.1062","0.0017","7.4499","0.0011","90","","97.785","0.003","90","","2732.8","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 N O -","- C17 H19 N O -","- C136 H152 N8 O8 -","8","1","","Guo, Wusheng; Martínez-Rodríguez, Luis; Kuniyil, Rositha; Martin, Eddy; Escudero-Adán, Eduardo C; Maseras, Feliu; Kleij, Arjan W.","Stereoselective and Versatile Preparation of Tri- and Tetrasubstituted Allylic Amine Scaffolds under Mild Conditions.","Journal of the American Chemical Society","2016","138","36","11970","11978","10.1021/jacs.6b07382","","","0.7107","MoKα","","0.0438","0.0392","","","0.1048","0.108","","","","","","1.033","","","","has coordinates","241198","2020-10-21","18:00:00",""
"4130840","21.4117","0.0005","21.3974","0.0004","25.7847","0.0007","90","","114.123","0.003","90","","10781.7","0.5","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47.5 H75 N6 P3 Si3 -","- C47.5 H75 N6 P3 Si3 -","- C380 H600 N48 P24 Si24 -","8","2","","Seitz, Andreas E.; Eckhardt, Maria; Erlebach, Andreas; Peresypkina, Eugenia V.; Sierka, Marek; Scheer, Manfred","Pnictogen-Silicon Analogues of Benzene.","Journal of the American Chemical Society","2016","138","33","10433","10436","10.1021/jacs.6b07389","","x-ray","1.54178","CuKα","","0.0726","0.0624","","","0.1806","0.1941","","","","","","1.082","","","","has coordinates,has disorder","241199","2020-10-21","18:00:00",""
"4130841","21.5579","0.0005","21.7446","0.0007","46.7236","0.0015","90","","90","","90","","21902.5","1.1","123","2","123","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C48.5 H73 As3 N6 Si3 -","- C48 H72.75 As3 N6 Si3 -","- C768 H1164 As48 N96 Si48 -","16","0.5","","Seitz, Andreas E.; Eckhardt, Maria; Erlebach, Andreas; Peresypkina, Eugenia V.; Sierka, Marek; Scheer, Manfred","Pnictogen-Silicon Analogues of Benzene.","Journal of the American Chemical Society","2016","138","33","10433","10436","10.1021/jacs.6b07389","","","1.54178","CuKα","","0.0583","0.0402","","","0.0977","0.1023","","","","","","1.002","","","","has coordinates,has disorder","241200","2020-10-21","18:00:00",""
"4130842","9.29","0.0006","9.9536","0.0006","12.5142","0.0008","69.954","0.006","77.338","0.005","86.516","0.005","1060.5","0.12","123","1","123","1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 As2 D12 N4 Si2 -","- C42 H46 As2 D12 N4 Si2 -","- C42 H46 As2 D12 N4 Si2 -","1","0.5","","Seitz, Andreas E.; Eckhardt, Maria; Erlebach, Andreas; Peresypkina, Eugenia V.; Sierka, Marek; Scheer, Manfred","Pnictogen-Silicon Analogues of Benzene.","Journal of the American Chemical Society","2016","138","33","10433","10436","10.1021/jacs.6b07389","","x-ray","1.54184","CuKα","","0.0307","0.0275","","","0.0765","0.0791","","","","","","1.143","","","","has coordinates","241201","2020-10-21","18:00:00",""
"4130843","5.0374","0.0006","5.3641","0.0007","7.0068","0.0009","72.004","0.002","76.098","0.002","87.219","0.002","174.73","0.04","290","2","290.01","","","","","","","","","3","P -1","-P 1","2","","","","- C8 H6 O4 -","- C8 H6 O4 -","- C8 H6 O4 -","1","0.5","","Karothu, Durga Prasad; Weston, James; Desta, Israel Tilahun; Naumov, Panče","Shape-Memory and Self-Healing Effects in Mechanosalient Molecular Crystals.","Journal of the American Chemical Society","2016","138","40","13298","13306","10.1021/jacs.6b07406","","","0.71073","MoKα","","0.0388","0.0354","","","0.11","0.1148","","","","","","1.044","","","","has coordinates","241202","2020-10-21","18:00:00",""
"4130844","3.7793","0.0006","6.4791","0.001","7.404","0.0011","82.942","0.002","81.006","0.002","88.982","0.002","177.71","0.05","390","2","389.99","","","","","","","","","3","P -1","-P 1","2","","","","- C8 H6 O4 -","- C8 H6 O4 -","- C8 H6 O4 -","1","0.5","","Karothu, Durga Prasad; Weston, James; Desta, Israel Tilahun; Naumov, Panče","Shape-Memory and Self-Healing Effects in Mechanosalient Molecular Crystals.","Journal of the American Chemical Society","2016","138","40","13298","13306","10.1021/jacs.6b07406","","","0.71073","MoKα","","0.043","0.0395","","","0.1142","0.1174","","","","","","1.147","","","","has coordinates","241203","2020-10-21","18:00:00",""
"4130845","5.0384","0.0005","5.3623","0.0005","7.006","0.0007","71.993","0.001","76.093","0.001","87.198","0.001","174.67","0.03","290","2","290","2","","","","","","","","3","P -1","-P 1","2","","","","- C8 H6 O4 -","- C8 H6 O4 -","- C8 H6 O4 -","1","0.5","","Karothu, Durga Prasad; Weston, James; Desta, Israel Tilahun; Naumov, Panče","Shape-Memory and Self-Healing Effects in Mechanosalient Molecular Crystals.","Journal of the American Chemical Society","2016","138","40","13298","13306","10.1021/jacs.6b07406","","","0.71073","MoKα","","0.0363","0.0337","","","0.1062","0.1104","","","","","","1.044","","","","has coordinates","241204","2020-10-21","18:00:00",""
"4130846","15.0088","0.0004","10.2881","0.0003","16.7851","0.0012","90","","105.568","0.008","90","","2496.7","0.2","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36.5 H21 Cl O -","- C36.5 H21 Cl O -","- C146 H84 Cl4 O4 -","4","2","","Sako, Makoto; Takeuchi, Yoshiki; Tsujihara, Tetsuya; Kodera, Junpei; Kawano, Tomikazu; Takizawa, Shinobu; Sasai, Hiroaki","Efficient Enantioselective Synthesis of Oxahelicenes Using Redox/Acid Cooperative Catalysts.","Journal of the American Chemical Society","2016","138","36","11481","11484","10.1021/jacs.6b07424","","","1.54187","CuKα","","","0.0554","","","","0.1567","","","","","","1.008","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4130847","7.417","0.0004","10.589","0.0006","25.5745","0.0016","90","","93.439","0.005","90","","2005","0.2","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O6 -","- C24 H17 N O6 -","- C96 H68 N4 O24 -","4","1","","Liu, Chong; Zeng, Chenjie; Luo, Tian-Yi; Merg, Andrea D.; Jin, Rongchao; Rosi, Nathaniel L.","Establishing Porosity Gradients within Metal-Organic Frameworks Using Partial Postsynthetic Ligand Exchange.","Journal of the American Chemical Society","2016","138","37","12045","12048","10.1021/jacs.6b07445","","","1.54178","CuKα","","0.1296","0.094","","","0.2302","0.2448","","","","","","1.538","","","","has coordinates","241206","2020-10-21","18:00:00",""
"4130848","3.9365","0.0008","12.261","0.002","15.859","0.003","111.241","0.013","91.027","0.015","91.753","0.015","712.8","0.2","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Br N O4 -","- C16 H10 Br N O4 -","- C32 H20 Br2 N2 O8 -","2","1","","Liu, Chong; Zeng, Chenjie; Luo, Tian-Yi; Merg, Andrea D.; Jin, Rongchao; Rosi, Nathaniel L.","Establishing Porosity Gradients within Metal-Organic Frameworks Using Partial Postsynthetic Ligand Exchange.","Journal of the American Chemical Society","2016","138","37","12045","12048","10.1021/jacs.6b07445","","","1.54178","CuKα","","0.0817","0.0772","","","0.1923","0.1986","","","","","","1.054","","","","has coordinates","241207","2020-10-21","18:00:00",""
"4130849","22.7448","0.0019","6.433","0.0005","16.2309","0.0013","90","","105.714","0.005","90","","2286.1","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 B N2 -","- C13 H15 B N2 -","- C104 H120 B8 N16 -","8","1","","Gellrich, Urs; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","Reversible Aromaticity Transfer in a Bora-Cycle: Boron-Ligand Cooperation.","Journal of the American Chemical Society","2016","138","40","13307","13313","10.1021/jacs.6b07454","","","0.71073","MoKα","","0.0929","0.051","","","0.1213","0.1409","","","","","","1.01","","","","has coordinates","241208","2020-10-21","18:00:00",""
"4130850","11.76794","0.00009","11.3623","0.00009","13.01027","0.00009","90","","104.026","0.0008","90","","1687.75","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 B N2 O2 -","- C20 H19 B N2 O2 -","- C80 H76 B4 N8 O8 -","4","1","","Gellrich, Urs; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","Reversible Aromaticity Transfer in a Bora-Cycle: Boron-Ligand Cooperation.","Journal of the American Chemical Society","2016","138","40","13307","13313","10.1021/jacs.6b07454","","","1.54184","CuKα","","0.043","0.0392","","","0.0993","0.1019","","","","","","1.077","","","","has coordinates","241208","2020-10-21","18:00:00",""
"4130851","8.4885","0.0005","22.9762","0.0015","15.9265","0.001","90","","99.651","0.002","90","","3062.2","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H30 Cu F5 N2 -","- C33 H30 Cu F5 N2 -","- C132 H120 Cu4 F20 N8 -","4","0.5","","Xie, Weilong; Yoon, Jung Hee; Chang, Sukbok","(NHC)Cu-Catalyzed Mild C-H Amidation of (Hetero)arenes with Deprotectable Carbamates: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2016","138","38","12605","12614","10.1021/jacs.6b07486","","","0.71073","MoKα","","0.1072","0.0775","","","0.1956","0.2198","","","","","","1.051","","","","has coordinates","241209","2020-10-21","18:00:00",""
"4130852","6.9147","0.0002","7.9421","0.0003","13.3691","0.0004","97.113","0.002","101.828","0.002","99.78","0.002","698.52","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Cl N2 O3 -","- C14 H15 Cl N2 O3 -","- C28 H30 Cl2 N4 O6 -","2","1","","Xie, Weilong; Yoon, Jung Hee; Chang, Sukbok","(NHC)Cu-Catalyzed Mild C-H Amidation of (Hetero)arenes with Deprotectable Carbamates: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2016","138","38","12605","12614","10.1021/jacs.6b07486","","","0.71073","MoKα","","0.0334","0.0302","","","0.0873","0.0911","","","","","","0.915","","","","has coordinates","241210","2020-10-21","18:00:00",""
"4130853","10.0597","0.0006","10.189","0.0005","19.756","0.0011","90","0.002","95.22","0.002","90","0.002","2016.56","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N2 O2 S -","- C8 H12 N2 O2 S -","- C64 H96 N16 O16 S8 -","8","2","","Xie, Weilong; Yoon, Jung Hee; Chang, Sukbok","(NHC)Cu-Catalyzed Mild C-H Amidation of (Hetero)arenes with Deprotectable Carbamates: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2016","138","38","12605","12614","10.1021/jacs.6b07486","","","0.71073","MoKα","","0.0632","0.0477","","","0.1614","0.1733","","","","","","1.271","","","","has coordinates","241211","2020-10-21","18:00:00",""
"4130854","6.1687","0.0002","22.867","0.0008","8.7061","0.0003","90","","94.893","0.002","90","","1223.6","0.07","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O2 S -","- C12 H14 N2 O2 S -","- C48 H56 N8 O8 S4 -","4","1","","Xie, Weilong; Yoon, Jung Hee; Chang, Sukbok","(NHC)Cu-Catalyzed Mild C-H Amidation of (Hetero)arenes with Deprotectable Carbamates: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2016","138","38","12605","12614","10.1021/jacs.6b07486","","","0.71073","MoKα","","0.0978","0.0668","","","0.1621","0.1746","","","","","","1.144","","","","has coordinates","241212","2020-10-21","18:00:00",""
"4130855","16.3196","0.0006","19.5049","0.0007","20.4967","0.0008","90","","90","","90","","6524.3","0.4","120","2","120","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H42 Br Cu N3 O0.5 S -","- C32 H42 Br Cu N3 O0.5 S -","- C256 H336 Br8 Cu8 N24 O4 S8 -","8","1","","Xie, Weilong; Yoon, Jung Hee; Chang, Sukbok","(NHC)Cu-Catalyzed Mild C-H Amidation of (Hetero)arenes with Deprotectable Carbamates: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2016","138","38","12605","12614","10.1021/jacs.6b07486","","","0.71073","MoKα","","0.0507","0.0428","","","0.1093","0.1176","","","","","","1.026","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4130856","9.9952","0.0007","11.0255","0.0007","16.6818","0.0011","107.292","0.003","93.899","0.003","113.654","0.003","1570.52","0.19","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cu F4 N3 O2 -","- C32 H34 Cu F4 N3 O2 -","- C64 H68 Cu2 F8 N6 O4 -","2","1","","Xie, Weilong; Yoon, Jung Hee; Chang, Sukbok","(NHC)Cu-Catalyzed Mild C-H Amidation of (Hetero)arenes with Deprotectable Carbamates: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2016","138","38","12605","12614","10.1021/jacs.6b07486","","","0.71073","MoKα","","0.057","0.0439","","","0.1131","0.1289","","","","","","1.111","","","","has coordinates","241214","2020-10-21","18:00:00",""
"4130857","13.3949","0.0008","5.0875","0.0003","19.3422","0.0012","90","","102.165","0.002","90","","1288.51","0.13","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F4 N O3 -","- C12 H13 F4 N O3 -","- C48 H52 F16 N4 O12 -","4","1","","Xie, Weilong; Yoon, Jung Hee; Chang, Sukbok","(NHC)Cu-Catalyzed Mild C-H Amidation of (Hetero)arenes with Deprotectable Carbamates: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2016","138","38","12605","12614","10.1021/jacs.6b07486","","","0.71073","MoKα","","0.1311","0.0601","","","0.108","0.129","","","","","","1.014","","","","has coordinates","241215","2020-10-21","18:00:00",""
"4130858","28.274","0.004","4.8094","0.0007","10.6249","0.0014","90","","107.141","0.009","90","","1380.6","0.3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H17 N5 O2 -","- C11 H17 N5 O2 -","- C44 H68 N20 O8 -","4","1","","Krishnan, Baiju P.; Rai, Rishika; Asokan, Aromal; Sureshan, Kana M.","Crystal-to-Crystal Synthesis of Triazole-Linked Pseudo-proteins via Topochemical Azide-Alkyne Cycloaddition Reaction.","Journal of the American Chemical Society","2016","138","45","14824","14827","10.1021/jacs.6b07538","","","0.71073","MoKα","","0.1144","0.0711","","","0.184","0.2138","","","","","","0.981","","","","has coordinates","241216","2020-10-21","18:00:00",""
"4130859","5.4275","0.0005","18.9357","0.0017","16.5145","0.0015","90","","91.1186","0.0012","90","","1696.9","0.3","88","2","88","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 Br O2 -","- C20 H19 Br O2 -","- C80 H76 Br4 O8 -","4","2","","Erickson, Lucas W.; Lucas, Erika L.; Tollefson, Emily J.; Jarvo, Elizabeth R.","Nickel-Catalyzed Cross-Electrophile Coupling of Alkyl Fluorides: Stereospecific Synthesis of Vinylcyclopropanes.","Journal of the American Chemical Society","2016","138","42","14006","14011","10.1021/jacs.6b07567","","","0.71073","MoKα","","0.0306","0.028","","","0.0713","0.0725","","","","","","1.077","","","","has coordinates","241217","2020-10-21","18:00:00",""
"4130860","5.355","0.0003","8.9629","0.0005","28.7336","0.0016","90","","90","","90","","1379.11","0.13","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O4 S -","- C14 H18 O4 S -","- C56 H72 O16 S4 -","4","1","","Erickson, Lucas W.; Lucas, Erika L.; Tollefson, Emily J.; Jarvo, Elizabeth R.","Nickel-Catalyzed Cross-Electrophile Coupling of Alkyl Fluorides: Stereospecific Synthesis of Vinylcyclopropanes.","Journal of the American Chemical Society","2016","138","42","14006","14011","10.1021/jacs.6b07567","","","0.71073","MoKα","","0.0288","0.0274","","","0.0697","0.0708","","","","","","1.054","","","","has coordinates","241218","2020-10-21","18:00:00",""
"4130861","5.7195","0.0004","14.2673","0.001","11.2806","0.0008","90","","90.5948","0.0009","90","","920.47","0.11","88","2","88","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 O4 S -","- C20 H22 O4 S -","- C40 H44 O8 S2 -","2","1","","Erickson, Lucas W.; Lucas, Erika L.; Tollefson, Emily J.; Jarvo, Elizabeth R.","Nickel-Catalyzed Cross-Electrophile Coupling of Alkyl Fluorides: Stereospecific Synthesis of Vinylcyclopropanes.","Journal of the American Chemical Society","2016","138","42","14006","14011","10.1021/jacs.6b07567","","","0.71073","MoKα","","0.0271","0.0261","","","0.066","0.0668","","","","","","1.032","","","","has coordinates","241219","2020-10-21","18:00:00",""
"4130862","11.1579","0.0008","41.517","0.003","12.1931","0.0006","90","","104.766","0.006","90","","5461.8","0.6","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H56 N10 O11 Zn -","- C51 H56 N10 O11 Zn -","- C204 H224 N40 O44 Zn4 -","4","1","","Sevov, Christo S.; Fisher, Sydney L.; Thompson, Levi T.; Sanford, Melanie S.","Mechanism-Based Development of a Low-Potential, Soluble, and Cyclable Multielectron Anolyte for Nonaqueous Redox Flow Batteries.","Journal of the American Chemical Society","2016","138","47","15378","15384","10.1021/jacs.6b07638","","","1.54184","CuKα","","0.1388","0.1167","","","0.3261","0.3606","","","","","","1.582","","","","has coordinates","241220","2020-10-21","18:00:00",""
"4130863","11.2462","0.0002","41.9047","0.0008","12.0982","0.0009","90","","104.024","0.007","90","","5531.6","0.5","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H56 Mn N10 O11 -","- C51 H56 Mn N10 O11 -","- C204 H224 Mn4 N40 O44 -","4","1","","Sevov, Christo S.; Fisher, Sydney L.; Thompson, Levi T.; Sanford, Melanie S.","Mechanism-Based Development of a Low-Potential, Soluble, and Cyclable Multielectron Anolyte for Nonaqueous Redox Flow Batteries.","Journal of the American Chemical Society","2016","138","47","15378","15384","10.1021/jacs.6b07638","","","1.54178","CuKα","","0.1439","0.1234","","","0.3286","0.3542","","","","","","1.532","","","","has coordinates","241221","2020-10-21","18:00:00",""
"4130864","11.134","0.0007","41.701","0.002","12.1981","0.0005","90","","104.828","0.005","90","","5475","0.5","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H56 Fe N10 O11 -","- C51 H56 Fe N10 O11 -","- C204 H224 Fe4 N40 O44 -","4","1","","Sevov, Christo S.; Fisher, Sydney L.; Thompson, Levi T.; Sanford, Melanie S.","Mechanism-Based Development of a Low-Potential, Soluble, and Cyclable Multielectron Anolyte for Nonaqueous Redox Flow Batteries.","Journal of the American Chemical Society","2016","138","47","15378","15384","10.1021/jacs.6b07638","","","1.54184","CuKα","","0.1329","0.1171","","","0.3038","0.3253","","","","","","1.526","","","","has coordinates","241222","2020-10-21","18:00:00",""
"4130865","11.1373","0.0003","41.835","0.0012","12.177","0.0002","90","","104.831","0.002","90","","5484.6","0.2","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H56 N10 Ni O11 -","- C51 H56 N10 Ni O11 -","- C204 H224 N40 Ni4 O44 -","4","1","","Sevov, Christo S.; Fisher, Sydney L.; Thompson, Levi T.; Sanford, Melanie S.","Mechanism-Based Development of a Low-Potential, Soluble, and Cyclable Multielectron Anolyte for Nonaqueous Redox Flow Batteries.","Journal of the American Chemical Society","2016","138","47","15378","15384","10.1021/jacs.6b07638","","","1.54184","CuKα","","0.1046","0.0958","","","0.2699","0.2808","","","","","","1.026","","","","has coordinates","241223","2020-10-21","18:00:00",""
"4130866","10.3389","0.0002","7.9833","0.0001","28.328","0.002","90","","93.658","0.007","90","","2333.39","0.17","85","2","85","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N5 O5 -","- C25 H27 N5 O5 -","- C100 H108 N20 O20 -","4","1","","Sevov, Christo S.; Fisher, Sydney L.; Thompson, Levi T.; Sanford, Melanie S.","Mechanism-Based Development of a Low-Potential, Soluble, and Cyclable Multielectron Anolyte for Nonaqueous Redox Flow Batteries.","Journal of the American Chemical Society","2016","138","47","15378","15384","10.1021/jacs.6b07638","","","1.54178","CuKα","","0.0634","0.0577","","","0.1591","0.1643","","","","","","1.106","","","","has coordinates","241224","2020-10-21","18:00:00",""
"4130867","23.676","0.0007","19.0674","0.0006","19.8863","0.0006","90","","104.224","0.0018","90","","8702.2","0.5","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","15269a","","- C57 H44 O6 -","- C57 H44 O6 -","- C456 H352 O48 -","8","1","","Xu, Feng; Hershey, Kyle W.; Holmes, Russell J.; Hoye, Thomas R.","Blue-Emitting Arylalkynyl Naphthalene Derivatives via a Hexadehydro-Diels-Alder Cascade Reaction.","Journal of the American Chemical Society","2016","138","39","12739","12742","10.1021/jacs.6b07647","","","1.54178","CuKα","","0.0446","0.0388","","","0.1006","0.1068","","","","","","1.031","","","","has coordinates","241225","2020-10-21","18:00:00",""
"4130868","16.931","0.003","18.21","0.004","25.511","0.004","90","","90","","90","","7865","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cucurbituril+Nandrolone","","- C60 H68 N28 O34 -","- C60 H68 N28 O34 -","- C240 H272 N112 O136 -","4","1","","Lazar, Alexandra I.; Biedermann, Frank; Mustafina, Kamila R.; Assaf, Khaleel I.; Hennig, Andreas; Nau, Werner M.","Nanomolar Binding of Steroids to Cucurbit[n]urils: Selectivity and Applications.","Journal of the American Chemical Society","2016","138","39","13022","13029","10.1021/jacs.6b07655","","","0.71073","MoKα","","0.1642","0.1091","","","0.2671","0.3273","","","","","","1.102","","","","has coordinates","241226","2020-10-21","18:00:00",""
"4130869","7.2433","0.0016","20.504","0.004","27.708","0.005","90","","90","","90","","4115.1","1.4","150.01","0.11","150.01","0.11","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C28 H14 B2 N2 O8 S2 -","- C28 H14 B2 N2 O8 S2 -","- C112 H56 B8 N8 O32 S8 -","4","2","","Carrillo, Josue Ayuso; Turner, Michael L.; Ingleson, Michael J.","A General Protocol for the Polycondensation of Thienyl N-Methyliminodiacetic Acid Boronate Esters To Form High Molecular Weight Copolymers.","Journal of the American Chemical Society","2016","138","40","13361","13368","10.1021/jacs.6b07666","","x-ray","0.71073","MoKα","","0.3032","0.139","","","0.3127","0.4249","","","","","","0.962","","","","has coordinates","241227","2020-10-21","18:00:00",""
"4130870","8.286","0.0002","10.6177","0.0004","28.689","0.0011","82.158","0.003","83.815","0.003","69.036","0.003","2330.15","0.15","150.02","0.13","150.02","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C44 H69 B2 N3 O8 S2 -","- C44 H69 B2 N3 O8 S2 -","- C88 H138 B4 N6 O16 S4 -","2","1","","Carrillo, Josue Ayuso; Turner, Michael L.; Ingleson, Michael J.","A General Protocol for the Polycondensation of Thienyl N-Methyliminodiacetic Acid Boronate Esters To Form High Molecular Weight Copolymers.","Journal of the American Chemical Society","2016","138","40","13361","13368","10.1021/jacs.6b07666","","","0.71073","MoKα","","0.0864","0.0565","","","0.1184","0.1355","","","","","","1.044","","","","has coordinates","241228","2020-10-21","18:00:00",""
"4130871","6.7782","0.0004","34.87","0.002","12.1646","0.0007","90","","100.344","0.002","90","","2828.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H68 B4 Cl4 O8 -","- C54 H68 B4 Cl4 O8 -","- C108 H136 B8 Cl8 O16 -","2","0.5","","Huang, Ze-Ao; Chen, Chen; Yang, Xiao-Di; Fan, Xiang-Bing; Zhou, Wen; Tung, Chen-Ho; Wu, Li-Zhu; Cong, Huan","Synthesis of Oligoparaphenylene-Derived Nanohoops Employing an Anthracene Photodimerization-Cycloreversion Strategy.","Journal of the American Chemical Society","2016","138","35","11144","11147","10.1021/jacs.6b07673","","","0.71073","MoKα","","0.146","0.1106","","","0.269","0.3005","","","","","","1.124","","","","has coordinates,has disorder","241229","2020-10-21","18:00:00",""
"4130872","16.5652","0.0004","17.2511","0.0005","19.2794","0.0005","68.221","0.001","79.126","0.001","74.271","0.001","4900.6","0.2","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C100 H64 -","- C100 H64 -","- C200 H128 -","2","1","","Huang, Ze-Ao; Chen, Chen; Yang, Xiao-Di; Fan, Xiang-Bing; Zhou, Wen; Tung, Chen-Ho; Wu, Li-Zhu; Cong, Huan","Synthesis of Oligoparaphenylene-Derived Nanohoops Employing an Anthracene Photodimerization-Cycloreversion Strategy.","Journal of the American Chemical Society","2016","138","35","11144","11147","10.1021/jacs.6b07673","","","1.54178","CuKα","","0.1018","0.082","","","0.2322","0.2467","","","","","","1.078","","","","has coordinates","241230","2020-10-21","18:00:00",""
"4130873","11.6759","0.0005","23.0296","0.0009","16.4573","0.0007","90","","92.66","0.001","90","","4420.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","hxqC31","","","- C52 H47 N4 O Rh S2 -","- C52 H47 N4 O Rh S2 -","- C208 H188 N16 O4 Rh4 S8 -","4","1","","Huang, Xiaoqiang; Webster, Richard D.; Harms, Klaus; Meggers, Eric","Asymmetric Catalysis with Organic Azides and Diazo Compounds Initiated by Photoinduced Electron Transfer.","Journal of the American Chemical Society","2016","138","38","12636","12642","10.1021/jacs.6b07692","","","0.71073","MoKα","","0.0281","0.0227","","","0.0533","0.0556","","","","","","1.052","","","","has coordinates,has disorder","241231","2020-10-21","18:00:00",""
"4130874","9.8543","0.0004","13.1873","0.0006","15.4684","0.0007","90","","90","","90","","2010.14","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Br N2 O3 -","- C22 H21 Br N2 O3 -","- C88 H84 Br4 N8 O12 -","4","1","","Huang, Xiaoqiang; Webster, Richard D.; Harms, Klaus; Meggers, Eric","Asymmetric Catalysis with Organic Azides and Diazo Compounds Initiated by Photoinduced Electron Transfer.","Journal of the American Chemical Society","2016","138","38","12636","12642","10.1021/jacs.6b07692","","","0.71073","MoKα","","0.0394","0.0376","","","0.0778","0.0787","","","","","","1.152","","","","has coordinates,has disorder","241232","2020-10-21","18:00:00",""
"4130875","33.1646","0.0012","16.8051","0.0005","16.116","0.0004","90","","102.709","0.003","90","","8761.9","0.5","93","2","93","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H40 Cl2 Ir2 N4 O5 -","- C32 H40 Cl2 Ir2 N4 O5 -","- C256 H320 Cl16 Ir16 N32 O40 -","8","2","","Sharninghausen, Liam S.; Sinha, Shashi Bhushan; Shopov, Dimitar Y.; Choi, Bonnie; Mercado, Brandon Q.; Roy, Xavier; Balcells, David; Brudvig, Gary W.; Crabtree, Robert H.","High Oxidation State Iridium Mono-μ-oxo Dimers Related to Water Oxidation Catalysis.","Journal of the American Chemical Society","2016","138","49","15917","15926","10.1021/jacs.6b07716","","","1.54178","CuKα","","0.0896","0.0721","","","0.1705","0.1844","","","","","","1.045","","","","has coordinates","241233","2020-10-21","18:00:00",""
"4130876","22.2543","0.0015","8.3385","0.0006","18.2152","0.0012","90","","98.991","0.007","90","","3338.6","0.4","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Cl2 Ir2 N4 O5 -","- C32 H40 Cl2 Ir2 N4 O5 -","- C128 H160 Cl8 Ir8 N16 O20 -","4","0.5","","Sharninghausen, Liam S.; Sinha, Shashi Bhushan; Shopov, Dimitar Y.; Choi, Bonnie; Mercado, Brandon Q.; Roy, Xavier; Balcells, David; Brudvig, Gary W.; Crabtree, Robert H.","High Oxidation State Iridium Mono-μ-oxo Dimers Related to Water Oxidation Catalysis.","Journal of the American Chemical Society","2016","138","49","15917","15926","10.1021/jacs.6b07716","","","1.54184","CuKα","","0.1204","0.0874","","","0.2241","0.262","","","","","","1.18","","","","has coordinates","241234","2020-10-21","18:00:00",""
"4130877","10.8298","0.0008","12.6652","0.0009","15.9733","0.0011","69.833","0.001","89.721","0.001","67.888","0.001","1885.6","0.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 Cl2 Ir2 N4 O5 -","- C32 H40 Cl2 Ir2 N4 O5 -","- C64 H80 Cl4 Ir4 N8 O10 -","2","1","","Sharninghausen, Liam S.; Sinha, Shashi Bhushan; Shopov, Dimitar Y.; Choi, Bonnie; Mercado, Brandon Q.; Roy, Xavier; Balcells, David; Brudvig, Gary W.; Crabtree, Robert H.","High Oxidation State Iridium Mono-μ-oxo Dimers Related to Water Oxidation Catalysis.","Journal of the American Chemical Society","2016","138","49","15917","15926","10.1021/jacs.6b07716","","","0.71073","MoKα","","0.0338","0.028","","","0.0693","0.0708","","","","","","0.961","","","","has coordinates","241235","2020-10-21","18:00:00",""
"4130878","17.69275","0.00019","12.14541","0.00009","15.50402","0.00015","90","","114.032","0.0012","90","","3042.8","0.06","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Au F2 N -","- C38 H36 Au F2 N -","- C152 H144 Au4 F8 N4 -","4","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0294","0.0209","","","0.0429","0.0468","","","","","","1.072","","","","has coordinates","241236","2020-10-21","18:00:00",""
"4130879","31.0475","0.0002","31.0475","0.0002","41.4313","0.0004","90","","90","","90","","39937.6","0.5","160","2","160","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C34.83 H39.33 Au Cl2.33 F N -","- C34.8333 H39.3333 Au Cl2.33333 F N -","- C1672 H1888 Au48 Cl112 F48 N48 -","48","3","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0961","0.0463","","","0.0925","0.112","","","","","","1.031","","","","has coordinates,has disorder","241237","2020-10-21","18:00:00",""
"4130880","7.45956","0.00014","16.6803","0.0002","16.8248","0.0004","90","","90","","90","","2093.47","0.07","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Au F3 N -","- C12 H9 Au F3 N -","- C96 H72 Au8 F24 N8 -","8","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0463","0.0299","","","0.0595","0.0676","","","","","","1.09","","","","has coordinates","241238","2020-10-21","18:00:00",""
"4130881","13.7561","0.0002","16.1","0.0008","14.8396","0.0002","90","","101.209","0.0015","90","","3223.88","0.17","160","2","160","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H17 Au Cl F2 N O3 -","- C15.5 H17 Au Cl F2 N O3 -","- C124 H136 Au8 Cl8 F16 N8 O24 -","8","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0397","0.0366","","","0.0758","0.0777","","","","","","1.046","","","","has coordinates","241239","2020-10-21","18:00:00",""
"4130882","18.8532","0.001","10.5063","0.0006","19.8505","0.0014","90","","93.844","0.005","90","","3923.1","0.4","160","1","160","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C47 H58 Au N -","- C47 H58 Au N -","- C188 H232 Au4 N4 -","4","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","x-ray","0.71073","MoKα","","0.0996","0.0608","","","0.1307","0.1529","","","","","","1.025","","","","has coordinates,has disorder","241240","2020-10-21","18:00:00",""
"4130883","21.1376","0.0003","16.4885","0.0002","7.53055","0.00008","90","","90","","90","","2624.6","0.06","160","2","160","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H15 Au F11 N O3 -","- C24 H9 Au F11 N -","- C96 H36 Au4 F44 N4 -","4","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0307","0.0252","","","0.0561","0.0581","","","","","","1.065","","","","has coordinates","241241","2020-10-21","18:00:00",""
"4130884","9.0882","0.0001","9.6379","0.0001","13.1489","0.0002","76.8345","0.0008","74.7697","0.0009","64.6373","0.0009","995.36","0.02","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H12 Au Br F7 N -","- C20 H12 Au Br F7 N -","- C40 H24 Au2 Br2 F14 N2 -","2","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0376","0.0331","","","0.0875","0.0896","","","","","","1.068","","","","has coordinates,has disorder","241242","2020-10-21","18:00:00",""
"4130885","7.8063","0.0001","17.0746","0.0003","17.892","0.0003","90","","90","","90","","2384.81","0.07","160","2","160","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Au Cl2 F N -","- C12 H9 Au Cl2 F N -","- C96 H72 Au8 Cl16 F8 N8 -","8","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0375","0.0257","","","0.0535","0.0582","","","","","","1.075","","","","has coordinates","241243","2020-10-21","18:00:00",""
"4130886","15.4933","0.0003","26.3923","0.0005","4.40199","0.0001","90","","90","","90","","1799.99","0.06","160","2","160","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H12 Au F8 N -","- C20 H12 Au F8 N -","- C80 H48 Au4 F32 N4 -","4","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0388","0.0339","","","0.0735","0.0756","","","","","","1.11","","","","has coordinates","241244","2020-10-21","18:00:00",""
"4130887","7.3719","0.0001","18.1864","0.0002","17.5332","0.0002","90","","93.3304","0.0012","90","","2346.68","0.05","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 Au F10 N -","- C26 H14 Au F10 N -","- C104 H56 Au4 F40 N4 -","4","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0421","0.0379","","","0.0851","0.0869","","","","","","1.193","","","","has coordinates","241245","2020-10-21","18:00:00",""
"4130888","7.4578","0.0001","11.0845","0.0002","19.2172","0.0005","84.5978","0.0018","89.4342","0.0018","87.8411","0.0014","1580.4","0.05","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Au Cl2 N O3 -","- C15 H16 Au Cl2 N O3 -","- C60 H64 Au4 Cl8 N4 O12 -","4","2","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0505","0.0422","","","0.1096","0.1122","","","","","","1.066","","","","has coordinates","241246","2020-10-21","18:00:00",""
"4130889","10.2954","0.0002","9.799","0.0003","17.9311","0.0004","90","","104.827","0.002","90","","1748.74","0.08","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 Au F6 N -","- C19 H12 Au F6 N -","- C76 H48 Au4 F24 N4 -","4","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0373","0.0255","","","0.0495","0.0551","","","","","","1.092","","","","has coordinates,has disorder","241247","2020-10-21","18:00:00",""
"4130890","7.5121","0.0002","18.0598","0.0006","17.0484","0.0005","90","","99.554","0.003","90","","2280.82","0.12","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Au F2 N -","- C13 H12 Au F2 N -","- C104 H96 Au8 F16 N8 -","8","2","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0794","0.054","","","0.1224","0.1339","","","","","","1.076","","","","has coordinates","241248","2020-10-21","18:00:00",""
"4130891","37.7343","0.0015","37.7343","0.0015","25.323","0.003","90","","90","","120","","31226","4","122","2","122","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C71 H106 Ge N2 Si2 -","- C71 H106 Ge N2 Si2 -","- C1278 H1908 Ge18 N36 Si36 -","18","1","","Nieder, David; Huch, Volker; Yildiz, Cem B.; Scheschkewitz, David","Regiodiscriminating Reactivity of Isolable NHC-Coordinated Disilenyl Germylene and Its Cyclic Isomer.","Journal of the American Chemical Society","2016","138","42","13996","14005","10.1021/jacs.6b07815","","","0.71073","MoKα","","0.0814","0.0526","","","0.118","0.1275","","","","","","1.078","","","","has coordinates,has disorder","241249","2020-10-21","18:00:00",""
"4130892","15.9617","0.0017","16.6009","0.0018","17.9948","0.0019","114.148","0.005","112.883","0.005","96.575","0.005","3790.4","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H117 Ge N2 Si2 -","- C83 H117 Ge N2 Si2 -","- C166 H234 Ge2 N4 Si4 -","2","1","","Nieder, David; Huch, Volker; Yildiz, Cem B.; Scheschkewitz, David","Regiodiscriminating Reactivity of Isolable NHC-Coordinated Disilenyl Germylene and Its Cyclic Isomer.","Journal of the American Chemical Society","2016","138","42","13996","14005","10.1021/jacs.6b07815","","","0.71073","MoKα","","0.0672","0.0493","","","0.1414","0.1525","","","","","","1.042","","","","has coordinates,has disorder","241249","2020-10-21","18:00:00",""
"4130893","11.4319","0.0005","14.6466","0.0005","21.5014","0.0009","100.512","0.001","92.045","0.001","95.265","0.001","3519.7","0.2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H108 Ge N2 Si2 -","- C77 H108 Ge N2 Si2 -","- C154 H216 Ge2 N4 Si4 -","2","1","","Nieder, David; Huch, Volker; Yildiz, Cem B.; Scheschkewitz, David","Regiodiscriminating Reactivity of Isolable NHC-Coordinated Disilenyl Germylene and Its Cyclic Isomer.","Journal of the American Chemical Society","2016","138","42","13996","14005","10.1021/jacs.6b07815","","","0.71073","MoKα","","0.0533","0.0385","","","0.0941","0.1015","","","","","","1.028","","","","has coordinates,has disorder","241249","2020-10-21","18:00:00",""
"4130894","12.6352","0.0003","23.8472","0.0006","25.5287","0.0007","90","","101.535","0.001","90","","7536.8","0.3","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76.25 H115 Ge N2 Si2 -","- C76.25 H112 Ge N2 Si2 -","- C305 H448 Ge4 N8 Si8 -","4","1","","Nieder, David; Huch, Volker; Yildiz, Cem B.; Scheschkewitz, David","Regiodiscriminating Reactivity of Isolable NHC-Coordinated Disilenyl Germylene and Its Cyclic Isomer.","Journal of the American Chemical Society","2016","138","42","13996","14005","10.1021/jacs.6b07815","","","0.71073","MoKα","","0.0789","0.0571","","","0.1648","0.1777","","","","","","1.107","","","","has coordinates,has disorder","241249","2020-10-21","18:00:00",""
"4130895","12.7844","0.0008","22.7467","0.0013","23.418","0.0011","90","","94.49","0.003","90","","6789.1","0.7","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74.5 H107 Ge N3 Si2 -","- C74.5 H107 Ge N3 Si2 -","- C298 H428 Ge4 N12 Si8 -","4","1","","Nieder, David; Huch, Volker; Yildiz, Cem B.; Scheschkewitz, David","Regiodiscriminating Reactivity of Isolable NHC-Coordinated Disilenyl Germylene and Its Cyclic Isomer.","Journal of the American Chemical Society","2016","138","42","13996","14005","10.1021/jacs.6b07815","","","0.71073","MoKα","","0.1008","0.0523","","","0.096","0.1096","","","","","","1.01","","","","has coordinates,has disorder","241249","2020-10-21","18:00:00",""
"4130896","13.255","0.0005","25.4218","0.0008","23.768","0.0008","90","","101.111","0.002","90","","7858.9","0.5","152","2","152","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C81 H127 Ge N3 Si2 -","- C81.5 H127.35 Ge N3 Si2 -","- C326 H509.4 Ge4 N12 Si8 -","4","1","","Nieder, David; Huch, Volker; Yildiz, Cem B.; Scheschkewitz, David","Regiodiscriminating Reactivity of Isolable NHC-Coordinated Disilenyl Germylene and Its Cyclic Isomer.","Journal of the American Chemical Society","2016","138","42","13996","14005","10.1021/jacs.6b07815","","","0.71073","MoKα","","0.0723","0.0523","","","0.1323","0.143","","","","","","1.042","","","","has coordinates,has disorder","241249","2020-10-21","18:00:00",""
"4130897","28.178","0.008","28.178","0.008","8.7335","0.0018","90","","90","","90","","6934","3","80","2","80","2","","","","","","","","5","I -4","I -4","82","","","","- C146 H112 Cl18 N8 O8 -","- C146 H112 Cl18 N8 O8 -","- C292 H224 Cl36 N16 O16 -","2","0.25","","Zhylitskaya, Halina; Cybińska, Joanna; Chmielewski, Piotr; Lis, Tadeusz; Stępień, Marcin","Bandgap Engineering in π-Extended Pyrroles. A Modular Approach to Electron-Deficient Chromophores with Multi-Redox Activity.","Journal of the American Chemical Society","2016","138","35","11390","11398","10.1021/jacs.6b07826","","","0.71073","MoKα","","0.1072","0.0746","","","0.1733","0.1941","","","","","","1.047","","","","has coordinates,has disorder","241250","2020-10-21","18:00:00",""
"4130898","7.2916","0.0015","8.7529","0.0016","9.7443","0.0017","88.49","0.04","69.51","0.05","67.04","0.05","532","0.4","80","2","80","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H7 N O3 -","- C16 H7 N O3 -","- C32 H14 N2 O6 -","2","1","","Zhylitskaya, Halina; Cybińska, Joanna; Chmielewski, Piotr; Lis, Tadeusz; Stępień, Marcin","Bandgap Engineering in π-Extended Pyrroles. A Modular Approach to Electron-Deficient Chromophores with Multi-Redox Activity.","Journal of the American Chemical Society","2016","138","35","11390","11398","10.1021/jacs.6b07826","","","0.71073","MoKα","","0.1073","0.0675","","","0.1526","0.182","","","","","","1.048","","","","has coordinates","241251","2020-10-21","18:00:00",""
"4130899","29.19","0.01","28.114","0.009","42.68","0.03","90","","102.19","0.05","90","","34236","3","80","2","80","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C176.75 H189 Cl4.5 N8 O8 Zn -","- C176.75 H189 Cl4.5 N8 O8 Zn -","- C1414 H1512 Cl36 N64 O64 Zn8 -","8","1","","Zhylitskaya, Halina; Cybińska, Joanna; Chmielewski, Piotr; Lis, Tadeusz; Stępień, Marcin","Bandgap Engineering in π-Extended Pyrroles. A Modular Approach to Electron-Deficient Chromophores with Multi-Redox Activity.","Journal of the American Chemical Society","2016","138","35","11390","11398","10.1021/jacs.6b07826","","","0.71073","MoKα","","0.3707","0.167","","","0.3408","0.4336","","","","","","1.175","","","","has coordinates,has disorder","241252","2020-10-21","18:00:00",""
"4130900","7.1366","0.0018","12.004","0.003","11.688","0.003","90","","102.43","0.02","90","","977.8","0.4","80","2","80","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 Cl2 N3 O2 -","- C21 H21 Cl2 N3 O2 -","- C42 H42 Cl4 N6 O4 -","2","1","","Zhylitskaya, Halina; Cybińska, Joanna; Chmielewski, Piotr; Lis, Tadeusz; Stępień, Marcin","Bandgap Engineering in π-Extended Pyrroles. A Modular Approach to Electron-Deficient Chromophores with Multi-Redox Activity.","Journal of the American Chemical Society","2016","138","35","11390","11398","10.1021/jacs.6b07826","","","0.71073","MoKα","","0.0376","0.0348","","","0.0844","0.0863","","","","","","1.047","","","","has coordinates","241254","2020-10-21","18:00:00",""
"4130901","7.2467","0.0003","12.0275","0.0004","9.5303","0.0004","90","","109.102","0.0019","90","","784.92","0.05","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H12 Br F2 N O2 -","- C18 H12 Br F2 N O2 -","- C36 H24 Br2 F4 N2 O4 -","2","1","","Huang, Yinhua; Hayashi, Tamio","Rhodium-Catalyzed Asymmetric Arylation/Defluorination of 1-(Trifluoromethyl)alkenes Forming Enantioenriched 1,1-Difluoroalkenes.","Journal of the American Chemical Society","2016","138","38","12340","12343","10.1021/jacs.6b07844","","","0.71073","MoKα","","0.0576","0.0353","","","0.0633","0.0701","","","","","","0.905","","","","has coordinates","241255","2020-10-21","18:00:00",""
"4130902","14.2971","0.0006","31.786","0.0015","13.0756","0.0006","90","","94.512","0.003","90","","5923.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H156 K2 O16 Si2 -","- C108 H156 K2 O16 Si2 -","- C216 H312 K4 O32 Si4 -","2","0.5","","Rudebusch, Gabriel E.; Espejo, Guzmán L; Zafra, José L; Peña-Alvarez, Miriam; Spisak, Sarah N.; Fukuda, Kotaro; Wei, Zheng; Nakano, Masayoshi; Petrukhina, Marina A.; Casado, Juan; Haley, Michael M.","A Biradical Balancing Act: Redox Amphoterism in a Diindenoanthracene Derivative Results from Quinoidal Acceptor and Aromatic Donor Motifs.","Journal of the American Chemical Society","2016","138","38","12648","12654","10.1021/jacs.6b07882","","","1.54178","CuKα","","0.101","0.0759","","","0.1838","0.199","","","","","","1.089","","","","has coordinates,has disorder","241256","2020-10-21","18:00:00",""
"4130903","9.169","0.0004","15.4719","0.0007","17.6353","0.0007","66.24","0.002","84.584","0.001","81.803","0.002","2264.45","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H120 K2 O8 Si2 -","- C88 H120 K2 O8 Si2 -","- C88 H120 K2 O8 Si2 -","1","0.5","","Rudebusch, Gabriel E.; Espejo, Guzmán L; Zafra, José L; Peña-Alvarez, Miriam; Spisak, Sarah N.; Fukuda, Kotaro; Wei, Zheng; Nakano, Masayoshi; Petrukhina, Marina A.; Casado, Juan; Haley, Michael M.","A Biradical Balancing Act: Redox Amphoterism in a Diindenoanthracene Derivative Results from Quinoidal Acceptor and Aromatic Donor Motifs.","Journal of the American Chemical Society","2016","138","38","12648","12654","10.1021/jacs.6b07882","","","1.54178","CuKα","","0.0808","0.061","","","0.1927","0.2048","","","","","","1.099","","","","has coordinates,has disorder","241257","2020-10-21","18:00:00",""
"4130904","11.5995","0.0003","12.1738","0.0003","17.0652","0.0004","78.478","0.002","82.51","0.002","72.257","0.001","2242.66","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H116 K O8 Si2 -","- C88 H116 K O8 Si2 -","- C88 H116 K O8 Si2 -","1","0.5","","Rudebusch, Gabriel E.; Espejo, Guzmán L; Zafra, José L; Peña-Alvarez, Miriam; Spisak, Sarah N.; Fukuda, Kotaro; Wei, Zheng; Nakano, Masayoshi; Petrukhina, Marina A.; Casado, Juan; Haley, Michael M.","A Biradical Balancing Act: Redox Amphoterism in a Diindenoanthracene Derivative Results from Quinoidal Acceptor and Aromatic Donor Motifs.","Journal of the American Chemical Society","2016","138","38","12648","12654","10.1021/jacs.6b07882","","","1.54178","CuKα","","0.0861","0.0621","","","0.1639","0.1774","","","","","","1.082","","","","has coordinates,has disorder","241258","2020-10-21","18:00:00",""
"4130905","13.8288","0.0005","8.7441","0.0003","17.122","0.0006","90","","111.064","0.002","90","","1932.05","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 B F5 N -","- C24 H15 B F5 N -","- C96 H60 B4 F20 N4 -","4","1","","Yang, Deng-Tao; Mellerup, Soren K.; Peng, Jin-Bao; Wang, Xiang; Li, Quan-Song; Wang, Suning","Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage.","Journal of the American Chemical Society","2016","138","36","11513","11516","10.1021/jacs.6b07899","","","0.71073","MoKα","","0.0792","0.0462","","","0.1081","0.1274","","","","","","1.04","","","","has coordinates","241259","2020-10-21","18:00:00",""
"4130906","9.7376","0.0003","16.5554","0.0005","12.6822","0.0004","90","","101.085","0.002","90","","2006.35","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H10 B F10 N -","- C24 H10 B F10 N -","- C96 H40 B4 F40 N4 -","4","1","","Yang, Deng-Tao; Mellerup, Soren K.; Peng, Jin-Bao; Wang, Xiang; Li, Quan-Song; Wang, Suning","Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage.","Journal of the American Chemical Society","2016","138","36","11513","11516","10.1021/jacs.6b07899","","","0.71073","MoKα","","0.0481","0.0367","","","0.0898","0.098","","","","","","1.031","","","","has coordinates","241260","2020-10-21","18:00:00",""
"4130907","8.8041","0.0002","16.8557","0.0003","20.7579","0.0004","78.709","0.001","79.587","0.001","82.468","0.001","2956.43","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H28 B2 F36 N2 -","- C60 H28 B2 F36 N2 -","- C120 H56 B4 F72 N4 -","2","1","","Yang, Deng-Tao; Mellerup, Soren K.; Peng, Jin-Bao; Wang, Xiang; Li, Quan-Song; Wang, Suning","Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage.","Journal of the American Chemical Society","2016","138","36","11513","11516","10.1021/jacs.6b07899","","","0.71073","MoKα","","0.0967","0.0437","","","0.0932","0.1088","","","","","","0.929","","","","has coordinates,has disorder","241261","2020-10-21","18:00:00",""
"4130908","31.316","0.004","8.2742","0.0012","16.832","0.002","90","","90","","90","","4361.4","1","180","2","180","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C27 H32 B N -","- C27 H32 B N -","- C216 H256 B8 N8 -","8","1","","Yang, Deng-Tao; Mellerup, Soren K.; Peng, Jin-Bao; Wang, Xiang; Li, Quan-Song; Wang, Suning","Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage.","Journal of the American Chemical Society","2016","138","36","11513","11516","10.1021/jacs.6b07899","","","0.71073","MoKα","","0.1111","0.0513","","","0.1045","0.1276","","","","","","1.007","","","","has coordinates","241262","2020-10-21","18:00:00",""
"4130909","11.275","0.0004","18.5252","0.0006","17.7958","0.0006","90","","98.066","0.002","90","","3680.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 B N -","- C42 H56 B N -","- C168 H224 B4 N4 -","4","1","","Yang, Deng-Tao; Mellerup, Soren K.; Peng, Jin-Bao; Wang, Xiang; Li, Quan-Song; Wang, Suning","Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage.","Journal of the American Chemical Society","2016","138","36","11513","11516","10.1021/jacs.6b07899","","","0.71073","MoKα","","0.0936","0.0509","","","0.1057","0.1237","","","","","","1.026","","","","has coordinates","241263","2020-10-21","18:00:00",""
"4130910","12.4542","0.0005","15.7598","0.0006","9.765","0.0004","90","","107.055","0.002","90","","1832.35","0.13","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 B N -","- C24 H20 B N -","- C96 H80 B4 N4 -","4","1","","Yang, Deng-Tao; Mellerup, Soren K.; Peng, Jin-Bao; Wang, Xiang; Li, Quan-Song; Wang, Suning","Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage.","Journal of the American Chemical Society","2016","138","36","11513","11516","10.1021/jacs.6b07899","","","0.71073","MoKα","","0.0501","0.0405","","","0.1012","0.1094","","","","","","1.047","","","","has coordinates","241264","2020-10-21","18:00:00",""
"4130911","10.8184","0.0006","11.8123","0.0006","12.9256","0.0006","76.622","0.003","67.526","0.003","70.094","0.003","1425.35","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H14 B F18 N -","- C30 H14 B F18 N -","- C60 H28 B2 F36 N2 -","2","1","","Yang, Deng-Tao; Mellerup, Soren K.; Peng, Jin-Bao; Wang, Xiang; Li, Quan-Song; Wang, Suning","Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage.","Journal of the American Chemical Society","2016","138","36","11513","11516","10.1021/jacs.6b07899","","","0.71073","MoKα","","0.0546","0.0393","","","0.0972","0.107","","","","","","1.041","","","","has coordinates,has disorder","241265","2020-10-21","18:00:00",""
"4130912","13.81","0.02","13.81","0.02","18.33","0.03","90","","90","","120","","3027","8","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl2 In3 N9 O17 Zn2 -","- C30 H18 Cl1.698 In3 N9 O17.302 Zn2 -","- C60 H36 Cl3.396 In6 N18 O34.604 Zn4 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0873","0.0536","","","0.1391","0.1568","","","","","","1.05","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130913","13.8618","0.0013","13.8618","0.0013","18.5079","0.0019","90","","90","","120","","3079.8","0.5","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl2 In3 N9 Ni2 O17 -","- C30 H18 Cl2.538 In3 N9 Ni2 O16.462 -","- C60 H36 Cl5.076 In6 N18 Ni4 O32.924 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0577","0.0372","","","0.0926","0.0983","","","","","","1.104","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130914","13.857","0.007","13.857","0.007","17.925","0.009","90","","90","","120","","2981","3","174","2","174","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Fe4 Mg N9 O19 -","- C30 H18 Fe3.94 Mg1.06 N9 O19 -","- C60 H36 Fe7.88 Mg2.12 N18 O38 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.1848","0.1072","","","0.273","0.316","","","","","","1.036","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130915","13.873","0.004","13.873","0.004","18.455","0.007","90","","90","","120","","3076","1.7","174","2","174","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl3 In5 N9 O16 -","- C30 H18 Cl2.82 In5 N9 O16.18 -","- C60 H36 Cl5.64 In10 N18 O32.36 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.1254","0.1001","","","0.3114","0.3381","","","","","","1.332","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130916","14.0529","0.001","14.0529","0.001","18.4071","0.0013","90","","90","","120","","3148.1","0.4","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl3 In3 Mn2 N9 O16 -","- C30 H18 Cl3.06 In3 Mn2 N9 O15.94 -","- C60 H36 Cl6.12 In6 Mn4 N18 O31.88 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0564","0.0456","","","0.1552","0.1622","","","","","","1.228","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130917","13.905","0.0006","13.905","0.0006","18.4663","0.0008","90","","90","","120","","3092.1","0.2","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl2 Co2 In3 N9 O17 -","- C30 H18 Cl2.04 Co2 In3 N9 O16.96 -","- C60 H36 Cl4.08 Co4 In6 N18 O33.92 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0347","0.029","","","0.0756","0.0791","","","","","","1.181","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130918","13.9818","0.0002","13.9818","0.0002","18.3209","0.0003","90","","90","","120","","3101.73","0.08","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl3 Co2 In3 N12 O16 -","- C30 H18 Cl3.24 Co2 In3 N12 O15.76 -","- C60 H36 Cl6.48 Co4 In6 N24 O31.52 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0615","0.0498","","","0.1489","0.1539","","","","","","1.192","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130920","14.1065","0.0009","14.1065","0.0009","18.2678","0.0012","90","","90","","120","","3148.2","0.4","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H24 Cl2 Co2 In3 N15 O17 -","- C30 H24 Cl2.4 Co2 In3 N15 O16.6 -","- C60 H48 Cl4.8 Co4 In6 N30 O33.2 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0529","0.0424","","","0.1273","0.1327","","","","","","1.112","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130921","13.893","0.005","13.893","0.005","18.368","0.007","90","","90","","120","","3070","2","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H16 Cl2 Co2 In3 N9 O20 -","- C30 H6 Cl2.1 Co2 In3 N9 O19.9 -","- C60 H12 Cl4.2 Co4 In6 N18 O39.8 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0855","0.0622","","","0.185","0.1946","","","","","","1.169","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130922","13.9738","0.0019","13.9738","0.0019","18.373","0.003","90","","90","","120","","3107","0.8","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H6 Cl2 Co2 In3 N12 O20 -","- C30 H6 Cl2.58 Co2 In3 N12 O19.42 -","- C60 H12 Cl5.16 Co4 In6 N24 O38.84 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0752","0.0501","","","0.1384","0.1475","","","","","","1.129","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130923","13.804","0.003","13.804","0.003","18.435","0.003","90","","90","","120","","3042.2","1.1","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H6 Cl2 Co2 In3 N9 O23 -","- C30 H6 Cl1.02 Co2 In3 N9 O23.98 -","- C60 H12 Cl2.04 Co4 In6 N18 O47.96 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0675","0.0562","","","0.169","0.1772","","","","","","1.117","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130924","13.8392","0.001","13.8392","0.001","23.269","0.0018","90","","90","","120","","3859.5","0.5","174","2","174","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C42 H6 Cl4 Co2 In3 N9 O16 -","- C42 H6 Cl4.06 Co2 In3 N9 O15.94 -","- C84 H12 Cl8.12 Co4 In6 N18 O31.88 -","2","0.166667","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0875","0.0545","","","0.1707","0.1826","","","","","","1.162","","","","has coordinates,has disorder","241266","2020-10-21","18:00:00",""
"4130925","15.727","0.003","15.727","0.003","16.957","0.004","90","","90","","120","","3632.2","1.3","174","2","174","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Ag3 In3 N9 O13 -","- C30 H18 Ag3 In3 N9 O13 -","- C60 H36 Ag6 In6 N18 O26 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0575","0.0441","","","0.1314","0.1387","","","","","","1.158","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130926","15.7672","0.0007","15.7672","0.0007","16.6814","0.0008","90","","90","","120","","3591.5","0.3","174","2","174","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C30 H6 Cu3 Fe3 N9 O20 -","- C30 H6 Cu3 Fe3 N9 O20 -","- C60 H12 Cu6 Fe6 N18 O40 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.1328","0.1196","","","0.3559","0.3647","","","","","","2.997","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130927","13.636","0.001","13.636","0.001","14.9222","0.0013","90","","90","","120","","2402.9","0.3","174","2","174","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C21 H9 Ag In3 N3 O16 -","- C21 H9 Ag In3 N3 O16 -","- C42 H18 Ag2 In6 N6 O32 -","2","0.166667","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0436","0.0404","","","0.1209","0.1248","","","","","","1.195","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130928","13.1696","0.0012","13.1696","0.0012","14.7973","0.0017","90","","90","","120","","2222.6","0.4","174","2","174","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C21 H9 Cu Mg3 N3 O16 -","- C21 H9 Cu Mg3 N3 O16 -","- C42 H18 Cu2 Mg6 N6 O32 -","2","0.166667","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0592","0.0518","","","0.1504","0.1577","","","","","","1.084","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130929","11.745","0.003","12.572","0.003","18.886","0.004","85.344","0.004","78.547","0.004","63","0.004","2435.1","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H79 Ce Li N4 O5 Si3 -","- C38 H79 Ce Li N4 O5 Si3 -","- C76 H158 Ce2 Li2 N8 O10 Si6 -","2","1","","Damon, Peter L.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Formation of a Ce(IV) Oxo Complex via Inner Sphere Nitrate Reduction.","Journal of the American Chemical Society","2016","138","39","12743","12746","10.1021/jacs.6b07932","","","0.71073","MoKα","","0.0517","0.0362","","","0.096","0.1105","","","","","","0.784","","","","has coordinates","241267","2020-10-21","18:00:00",""
"4130930","37.342","0.011","11.365","0.003","22.312","0.007","90","","99.875","0.008","90","","9329","5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C71 H154 Ce2 Li2 N10 O14 Si6 -","- C71 H154 Ce2 Li2 N10 O14 Si6 -","- C284 H616 Ce8 Li8 N40 O56 Si24 -","4","0.5","","Damon, Peter L.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Formation of a Ce(IV) Oxo Complex via Inner Sphere Nitrate Reduction.","Journal of the American Chemical Society","2016","138","39","12743","12746","10.1021/jacs.6b07932","","","0.71073","MoKα","","0.1502","0.0671","","","0.1545","0.1971","","","","","","0.959","","","","has coordinates","241267","2020-10-21","18:00:00",""
"4130931","11.8041","0.0008","20.3061","0.0012","17.3715","0.0011","90","","93.916","0.004","90","","4154.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H72 Ce N4 O Si4 -","- C30 H72 Ce N4 O Si4 -","- C120 H288 Ce4 N16 O4 Si16 -","4","1","","Damon, Peter L.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Formation of a Ce(IV) Oxo Complex via Inner Sphere Nitrate Reduction.","Journal of the American Chemical Society","2016","138","39","12743","12746","10.1021/jacs.6b07932","","","0.71073","MoKα","","0.077","0.0501","","","0.1071","0.1172","","","","","","1.019","","","","has coordinates","241267","2020-10-21","18:00:00",""
"4130932","19.0579","0.0002","17.9828","0.0002","19.5453","0.0002","90","","91.7138","0.0009","90","","6695.46","0.12","150","","150","","","","","","","","SYN","7","P 1 21/n 1","-P 2yn","14","","ENDO-D4-2","","- C65 H68 B D4 F24 P2 Rh -","- C65 H68 B D4 F24 P2 Rh -","- C260 H272 B4 D16 F96 P8 Rh4 -","4","1","","Chadwick, F. Mark; Krämer, Tobias; Gutmann, Torsten; Rees, Nicholas H.; Thompson, Amber L.; Edwards, Alison J.; Buntkowsky, Gerd; Macgregor, Stuart A.; Weller, Andrew S.","Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange.","Journal of the American Chemical Society","2016","138","40","13369","13378","10.1021/jacs.6b07968","","neutron","0.85","neutron","","0.2699","0.1918","","0.3527","0.1781","0.1631","","","","","","1.2632","","","","has coordinates","241268","2020-10-21","18:00:00",""
"4130933","19.0579","0.0002","17.9828","0.0002","19.5453","0.0002","90","","91.7138","0.0009","90","","6695.46","0.12","150","","150","","","","","","","","SYN","7","P 1 21/n 1","-P 2yn","14","","exoD4-2","","- C65 H68 B D4 F24 P2 Rh -","- C65 H68 B D4 F24 P2 Rh -","- C260 H272 B4 D16 F96 P8 Rh4 -","4","1","","Chadwick, F. Mark; Krämer, Tobias; Gutmann, Torsten; Rees, Nicholas H.; Thompson, Amber L.; Edwards, Alison J.; Buntkowsky, Gerd; Macgregor, Stuart A.; Weller, Andrew S.","Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange.","Journal of the American Chemical Society","2016","138","40","13369","13378","10.1021/jacs.6b07968","","neutron","0.85","neutron","","0.2447","0.1676","","0.2549","0.1392","0.1312","","","","","","1.3622","","","","has coordinates","241268","2020-10-21","18:00:00",""
"4130934","19.0579","0.0002","17.9828","0.0002","19.5453","0.0002","90","","91.7138","0.0009","90","","6695.46","0.12","150","","150","","","","","","","","SYN","7","P 1 21/n 1","-P 2yn","14","","D8-2","","- C65 H64 B D8 F24 P2 Rh -","- C65 H64 B D8 F24 P2 Rh -","- C260 H256 B4 D32 F96 P8 Rh4 -","4","1","","Chadwick, F. Mark; Krämer, Tobias; Gutmann, Torsten; Rees, Nicholas H.; Thompson, Amber L.; Edwards, Alison J.; Buntkowsky, Gerd; Macgregor, Stuart A.; Weller, Andrew S.","Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange.","Journal of the American Chemical Society","2016","138","40","13369","13378","10.1021/jacs.6b07968","","neutron","0.85","neutron","","0.3062","0.1897","","0.3749","0.1829","0.1544","","","","","","1.4819","","","","has coordinates","241268","2020-10-21","18:00:00",""
"4130935","19.1","0.002","18.289","0.0009","27.926","0.003","90","","134.55","0.02","90","","6952","3","290","","290","","","","","","","","SYN","6","P 1 21/c 1","-P 2ybc","14","","H8-2-290K","","- C65 H72 B F24 P2 Rh -","- C65 H72 B F24 P2 Rh -","- C260 H288 B4 F96 P8 Rh4 -","4","1","","Chadwick, F. Mark; Krämer, Tobias; Gutmann, Torsten; Rees, Nicholas H.; Thompson, Amber L.; Edwards, Alison J.; Buntkowsky, Gerd; Macgregor, Stuart A.; Weller, Andrew S.","Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange.","Journal of the American Chemical Society","2016","138","40","13369","13378","10.1021/jacs.6b07968","","","1.5418","CuKα","","0.0776","0.0637","","0.1879","0.1632","0.1876","","","","","","0.8662","","","","has coordinates,has disorder","241268","2020-10-21","18:00:00",""
"4130936","12.8281","0.0007","13.1804","0.0007","19.8019","0.0006","93.895","0.003","91.116","0.003","94.19","0.004","3330.4","0.3","150","","150","","","","","","","","SYN","6","P -1","-P 1","2","","","","- C65 H70 B F24 P2 Rh -","- C65 H70 B F24 P2 Rh -","- C130 H140 B2 F48 P4 Rh2 -","2","1","","Chadwick, F. Mark; Krämer, Tobias; Gutmann, Torsten; Rees, Nicholas H.; Thompson, Amber L.; Edwards, Alison J.; Buntkowsky, Gerd; Macgregor, Stuart A.; Weller, Andrew S.","Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange.","Journal of the American Chemical Society","2016","138","40","13369","13378","10.1021/jacs.6b07968","","","1.5418","CuKα","","0.1228","0.1059","","0.2826","0.2648","0.2826","","","","","","0.9951","","","","has coordinates,has disorder","241268","2020-10-21","18:00:00",""
"4130937","12.5207","0.0005","18.3664","0.0009","20.2423","0.001","90","","90","","90","","4654.9","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C51 H34 F3 N2 O3 P Pd S -","- C51 H34 F3 N2 O3 P Pd S -","- C204 H136 F12 N8 O12 P4 Pd4 S4 -","4","1","","Ramírez-López, Pedro; Ros, Abel; Romero-Arenas, Antonio; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M","Synthesis of IAN-type N,N-Ligands via Dynamic Kinetic Asymmetric Buchwald-Hartwig Amination.","Journal of the American Chemical Society","2016","138","37","12053","12056","10.1021/jacs.6b07972","","","0.56085","AgKα","","0.0523","0.0438","","","0.1185","0.1259","","","","","","0.958","","","","has coordinates","241269","2020-10-21","18:00:00",""
"4130938","9.591","0.0002","9.591","0.0002","43.0251","0.0013","90","","90","","90","","3957.76","0.17","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C22.5 H17 Br Cl N2 -","- C22.5 H17 Br Cl N2 -","- C180 H136 Br8 Cl8 N16 -","8","1","","Ramírez-López, Pedro; Ros, Abel; Romero-Arenas, Antonio; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M","Synthesis of IAN-type N,N-Ligands via Dynamic Kinetic Asymmetric Buchwald-Hartwig Amination.","Journal of the American Chemical Society","2016","138","37","12053","12056","10.1021/jacs.6b07972","","","1.54178","CuKα","","0.0294","0.0294","","","0.11","0.11","","","","","","1.021","","","","has coordinates,has disorder","241270","2020-10-21","18:00:00",""
"4130939","11.1433","0.0004","11.3328","0.0004","20.944","0.0007","85.41","0.002","76.594","0.002","63.661","0.002","2304.95","0.15","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C25 H17 Br0.5 N P0.5 Pd0.5 -","- C25 H17 Br0.5 N P0.5 Pd0.5 -","- C100 H68 Br2 N4 P2 Pd2 -","4","4","","Ramírez-López, Pedro; Ros, Abel; Romero-Arenas, Antonio; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M","Synthesis of IAN-type N,N-Ligands via Dynamic Kinetic Asymmetric Buchwald-Hartwig Amination.","Journal of the American Chemical Society","2016","138","37","12053","12056","10.1021/jacs.6b07972","","","0.71073","MoKα","","0.0729","0.0656","","","0.1747","0.179","","","","","","1.257","","","","has coordinates","241271","2020-10-21","18:00:00",""
"4130940","13.455","0.0005","14.1052","0.0006","23.7803","0.0009","90","","90","","90","","4513.2","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H38 Cl2 Cu F6 N4 P -","- C51 H38 Cl2 Cu F6 N4 P -","- C204 H152 Cl8 Cu4 F24 N16 P4 -","4","1","","Ramírez-López, Pedro; Ros, Abel; Romero-Arenas, Antonio; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M","Synthesis of IAN-type N,N-Ligands via Dynamic Kinetic Asymmetric Buchwald-Hartwig Amination.","Journal of the American Chemical Society","2016","138","37","12053","12056","10.1021/jacs.6b07972","","","0.56085","AgKα","","0.0777","0.0643","","","0.1826","0.1906","","","","","","1.376","","","","has coordinates","241272","2020-10-21","18:00:00",""
"4130941","14.2729","0.0005","7.7016","0.0002","12.3179","0.0004","90","","90","","90","","1354.03","0.07","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H18 Cl4 Cu N2 -","- C7 H18 Cl4 Cu N2 -","- C28 H72 Cl16 Cu4 N8 -","4","1","","Su, Lebin; Dong, Jianyu; Liu, Long; Sun, Mengli; Qiu, Renhua; Zhou, Yongbo; Yin, Shuang-Feng","Copper Catalysis for Selective Heterocoupling of Terminal Alkynes.","Journal of the American Chemical Society","2016","138","38","12348","12351","10.1021/jacs.6b07984","","","0.71073","MoKα","","0.0244","0.0225","","","0.0538","0.055","","","","","","1.064","","","","has coordinates","241273","2020-10-21","18:00:00",""
"4130942","21.9618","0.0012","9.3625","0.0005","22.1686","0.0012","90","","108.081","0.0014","90","","4333.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 F6 I2 O7 S2 -","- C14 H10 F6 I2 O7 S2 -","- C112 H80 F48 I16 O56 S16 -","8","2","","Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr","Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications.","Journal of the American Chemical Society","2016","138","39","12747","12750","10.1021/jacs.6b07999","","","0.71073","MoKα","","0.0573","0.0399","","","0.0867","0.0941","","","","","","1.015","","","","has coordinates","241274","2020-10-21","18:00:00",""
"4130943","4.1971","0.0002","10.0492","0.0004","14.9871","0.0007","108.6","0.001","93.4806","0.0012","93.8251","0.0012","595.52","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H7 F4 I O4 -","- C10 H7 F4 I O4 -","- C20 H14 F8 I2 O8 -","2","1","","Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr","Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications.","Journal of the American Chemical Society","2016","138","39","12747","12750","10.1021/jacs.6b07999","","","0.71073","MoKα","","0.0376","0.0358","","","0.0925","0.0935","","","","","","1.139","","","","has coordinates,has disorder","241276","2020-10-21","18:00:00",""
"4130944","5.4807","0.0017","9.086","0.003","14.021","0.004","78.903","0.01","81.424","0.011","89.698","0.01","677.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H9 B F5 I O4 -","- C10 H9 B F5 I O4 -","- C20 H18 B2 F10 I2 O8 -","2","1","","Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr","Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications.","Journal of the American Chemical Society","2016","138","39","12747","12750","10.1021/jacs.6b07999","","","0.71073","MoKα","","0.1269","0.1125","","","0.2796","0.2866","","","","","","1.185","","","","has coordinates","241277","2020-10-21","18:00:00",""
"4130945","4.7135","0.0004","14.0456","0.0013","17.2837","0.0016","90","","97.432","0.003","90","","1134.64","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 F2 I O4 -","- C7.75 H6.75 F2 I O4 -","- C31 H27 F8 I4 O16 -","4","1","","Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr","Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications.","Journal of the American Chemical Society","2016","138","39","12747","12750","10.1021/jacs.6b07999","","","0.71073","MoKα","","0.0265","0.0218","","","0.0498","0.052","","","","","","1.051","","","","has coordinates,has disorder","241278","2020-10-21","18:00:00",""
"4130946","9.655","0.0008","8.3949","0.0006","16.7646","0.0013","90","","94.564","0.002","90","","1354.51","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 B F3 I O4 -","- C10 H11 B F3 I O4 -","- C40 H44 B4 F12 I4 O16 -","4","1","","Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr","Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications.","Journal of the American Chemical Society","2016","138","39","12747","12750","10.1021/jacs.6b07999","","","0.71073","MoKα","","0.0709","0.0417","","","0.0935","0.1071","","","","","","0.995","","","","has coordinates","241279","2020-10-21","18:00:00",""
"4130947","10.4843","0.0019","18.257","0.003","7.1821","0.0014","90","","105.714","0.005","90","","1323.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 F3 I O5 S -","- C9 H8 F3 I O5 S -","- C36 H32 F12 I4 O20 S4 -","4","1","","Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr","Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications.","Journal of the American Chemical Society","2016","138","39","12747","12750","10.1021/jacs.6b07999","","","0.71073","MoKα","","0.0415","0.0304","","","0.0685","0.073","","","","","","1.069","","","","has coordinates","241280","2020-10-21","18:00:00",""
"4130948","10.013","0.0005","10.1635","0.0005","27.9932","0.0015","90","","96.198","0.001","90","","2832.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H49 N2 Si2 Ti -","- C26 H49 N2 Si2 Ti -","- C104 H196 N8 Si8 Ti4 -","4","1","","Pappas, Iraklis; Chirik, Paul J.","Catalytic Proton Coupled Electron Transfer from Metal Hydrides to Titanocene Amides, Hydrazides and Imides: Determination of Thermodynamic Parameters Relevant to Nitrogen Fixation.","Journal of the American Chemical Society","2016","138","40","13379","13389","10.1021/jacs.6b08009","","","0.71073","MoKα","","0.0419","0.0367","","","0.0919","0.0967","","","","","","1.048","","","","has coordinates","241281","2020-10-21","18:00:00",""
"4130949","9.354","0.0002","34.1029","0.0009","9.8695","0.0003","90","","112.423","0.001","90","","2910.32","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H49 Cl N2 Si2 Ti -","- C26 H49 Cl N2 Si2 Ti -","- C104 H196 Cl4 N8 Si8 Ti4 -","4","1","","Pappas, Iraklis; Chirik, Paul J.","Catalytic Proton Coupled Electron Transfer from Metal Hydrides to Titanocene Amides, Hydrazides and Imides: Determination of Thermodynamic Parameters Relevant to Nitrogen Fixation.","Journal of the American Chemical Society","2016","138","40","13379","13389","10.1021/jacs.6b08009","","","1.54178","CuKα","","0.0543","0.0532","","","0.1203","0.1208","","","","","","1.226","","","","has coordinates","241281","2020-10-21","18:00:00",""
"4130950","16.947","0.005","25.011","0.005","18.486","0.005","90","","103.507","0.005","90","","7619","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H57 Cr N O3 Si3 Ti -","- C35 H57 Cr N O3 Si3 Ti -","- C280 H456 Cr8 N8 O24 Si24 Ti8 -","8","2","","Pappas, Iraklis; Chirik, Paul J.","Catalytic Proton Coupled Electron Transfer from Metal Hydrides to Titanocene Amides, Hydrazides and Imides: Determination of Thermodynamic Parameters Relevant to Nitrogen Fixation.","Journal of the American Chemical Society","2016","138","40","13379","13389","10.1021/jacs.6b08009","","","1.54185","CuKα","","0.0861","0.0731","","","0.1796","0.1885","","","","","","1.029","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4130951","9.1532","0.0007","12.5803","0.0013","17.0067","0.0012","83.424","0.007","81.854","0.006","87.114","0.007","1924.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H55 Cl Cr O3 Si2 Ti -","- C39 H55 Cl Cr O3 Si2 Ti -","- C78 H110 Cl2 Cr2 O6 Si4 Ti2 -","2","1","","Pappas, Iraklis; Chirik, Paul J.","Catalytic Proton Coupled Electron Transfer from Metal Hydrides to Titanocene Amides, Hydrazides and Imides: Determination of Thermodynamic Parameters Relevant to Nitrogen Fixation.","Journal of the American Chemical Society","2016","138","40","13379","13389","10.1021/jacs.6b08009","","","1.54178","CuKα","","0.0644","0.049","","","0.1232","0.1331","","","","","","1.028","","","","has coordinates","241281","2020-10-21","18:00:00",""
"4130952","11.3506","0.0004","11.4109","0.0004","19.1965","0.0008","90.264","0.002","92.62","0.002","111.119","0.002","2316.33","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 Cr2 O6 Si2 Ti -","- C40 H52 Cr2 O6 Si2 Ti -","- C80 H104 Cr4 O12 Si4 Ti2 -","2","1","","Pappas, Iraklis; Chirik, Paul J.","Catalytic Proton Coupled Electron Transfer from Metal Hydrides to Titanocene Amides, Hydrazides and Imides: Determination of Thermodynamic Parameters Relevant to Nitrogen Fixation.","Journal of the American Chemical Society","2016","138","40","13379","13389","10.1021/jacs.6b08009","","","1.54178","CuKα","","0.1069","0.089","","","0.2353","0.2547","","","","","","1.106","","","","has coordinates,has disorder","241281","2020-10-21","18:00:00",""
"4130953","10.3627","0.0004","12.2002","0.0004","17.5696","0.0006","70.851","0.002","86.046","0.002","65.795","0.001","1908.34","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H57 Cr O3 Si2 Ti -","- C37 H57 Cr O3 Si2 Ti -","- C74 H114 Cr2 O6 Si4 Ti2 -","2","1","","Pappas, Iraklis; Chirik, Paul J.","Catalytic Proton Coupled Electron Transfer from Metal Hydrides to Titanocene Amides, Hydrazides and Imides: Determination of Thermodynamic Parameters Relevant to Nitrogen Fixation.","Journal of the American Chemical Society","2016","138","40","13379","13389","10.1021/jacs.6b08009","","","0.71073","MoKα","","0.033","0.0295","","","0.0761","0.0786","","","","","","1.058","","","","has coordinates","241281","2020-10-21","18:00:00",""
"4130954","39.623","0.002","12.6771","0.0009","17.4694","0.0015","90","","108.997","0.003","90","","8297","1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H57 Cl Cr O3 Si2 Zr -","- C37 H57 Cl Cr O3 Si2 Zr -","- C296 H456 Cl8 Cr8 O24 Si16 Zr8 -","8","1","","Pappas, Iraklis; Chirik, Paul J.","Catalytic Proton Coupled Electron Transfer from Metal Hydrides to Titanocene Amides, Hydrazides and Imides: Determination of Thermodynamic Parameters Relevant to Nitrogen Fixation.","Journal of the American Chemical Society","2016","138","40","13379","13389","10.1021/jacs.6b08009","","","0.71073","MoKα","","0.0473","0.0337","","","0.0904","0.0985","","","","","","1.056","","","","has coordinates","241281","2020-10-21","18:00:00",""
"4130955","18.3847","0.0003","18.3847","0.0003","48.568","0.0011","90","","90","","120","","14216.5","0.5","120","2","120","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C29 H33 Cu N5 O7 -","- C19 H11 Cu N3 O5 -","- C342 H198 Cu18 N54 O90 -","18","1","","Benson, Oguarabau; da Silva, Ivan; Argent, Stephen P.; Cabot, Rafel; Savage, Mathew; Godfrey, Harry G. W.; Yan, Yong; Parker, Stewart F.; Manuel, Pascal; Lennox, Matthew J.; Mitra, Tamoghna; Easun, Timothy L.; Lewis, William; Blake, Alexander J.; Besley, Elena; Yang, Sihai; Schröder, Martin","Amides Do Not Always Work: Observation of Guest Binding in an Amide-Functionalized Porous Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","45","14828","14831","10.1021/jacs.6b08059","","x-ray","0.71073","MoKα","","0.0342","0.0328","","","0.0969","0.0985","","","","","","1.051","","","","has coordinates,has disorder","241282","2020-10-21","18:00:00",""
"4130956","8.8713","0.0006","9.1631","0.0006","11.2812","0.0009","83.142","0.004","78.687","0.004","71.594","0.004","851.58","0.11","117","2","117","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 N O -","- C22 H15 N O -","- C44 H30 N2 O2 -","2","1","","Pearson, Ryan M.; Lim, Chern-Hooi; McCarthy, Blaine G.; Musgrave, Charles B.; Miyake, Garret M.","Organocatalyzed Atom Transfer Radical Polymerization Using N-Aryl Phenoxazines as Photoredox Catalysts.","Journal of the American Chemical Society","2016","138","35","11399","11407","10.1021/jacs.6b08068","","","0.71073","MoKα","","0.0976","0.0569","","","0.1236","0.1452","","","","","","1.03","","","","has coordinates","241283","2020-10-21","18:00:00",""
"4130957","14.79","0.005","6.904","0.002","17.265","0.006","90","","113.094","0.015","90","","1621.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N S -","- C22 H15 N S -","- C88 H60 N4 S4 -","4","1","","Pearson, Ryan M.; Lim, Chern-Hooi; McCarthy, Blaine G.; Musgrave, Charles B.; Miyake, Garret M.","Organocatalyzed Atom Transfer Radical Polymerization Using N-Aryl Phenoxazines as Photoredox Catalysts.","Journal of the American Chemical Society","2016","138","35","11399","11407","10.1021/jacs.6b08068","","","0.71073","MoKα","","0.0633","0.0422","","","0.1143","0.1254","","","","","","1.045","","","","has coordinates","241284","2020-10-21","18:00:00",""
"4130958","12.668","0.002","13.37","0.002","20.68","0.003","80.951","0.004","88.335","0.004","62.771","0.003","3072","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H89 K N2 Ni O7 S -","- C60 H80 K N2 Ni O7 S -","- C120 H160 K2 N4 Ni2 O14 S2 -","2","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Reactivity of a Nickel Sulfide with Carbon Monoxide and Nitric Oxide.","Journal of the American Chemical Society","2016","138","38","12352","12355","10.1021/jacs.6b08084","","","0.71073","MoKα","","0.1378","0.0791","","","0.2006","0.2346","","","","","","1.038","","","","has coordinates","241285","2020-10-21","18:00:00",""
"4130959","16.8321","0.0013","9.37","0.0006","22.5816","0.0018","90","","106.526","0.005","90","","3414.4","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H53 N3 Ni O -","- C35 H53 N3 Ni O -","- C140 H212 N12 Ni4 O4 -","4","0.5","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Reactivity of a Nickel Sulfide with Carbon Monoxide and Nitric Oxide.","Journal of the American Chemical Society","2016","138","38","12352","12355","10.1021/jacs.6b08084","","","0.71073","MoKα","","0.0857","0.0513","","","0.1073","0.1202","","","","","","1.035","","","","has coordinates","241285","2020-10-21","18:00:00",""
"4130960","9.4771","0.0014","14.0478","0.0018","16.771","0.003","90","","98.978","0.004","90","","2205.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H26 Cl2 K N O7 S2 -","- C13 H26 Cl2 K N O7 S2 -","- C52 H104 Cl8 K4 N4 O28 S8 -","4","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Reactivity of a Nickel Sulfide with Carbon Monoxide and Nitric Oxide.","Journal of the American Chemical Society","2016","138","38","12352","12355","10.1021/jacs.6b08084","","","0.71073","MoKα","","0.0515","0.0343","","","0.0676","0.074","","","","","","1.016","","","","has coordinates","241285","2020-10-21","18:00:00",""
"4130961","8.8855","0.0008","17.9963","0.0017","13.146","0.0012","90","","105.177","0.003","90","","2028.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O7 S -","- C21 H19 N O7 S -","- C84 H76 N4 O28 S4 -","4","1","","Shen, Tao; Zhang, Yiqun; Liang, Yu-Feng; Jiao, Ning","Direct Tryptophols Synthesis from 2-Vinylanilines and Alkynes via C≡C Triple Bond Cleavage and Dioxygen Activation.","Journal of the American Chemical Society","2016","138","40","13147","13150","10.1021/jacs.6b08094","","","0.71073","MoKα","","0.0661","0.0389","","","0.0845","0.0991","","","","","","1.043","","","","has coordinates","241286","2020-10-21","18:00:00",""
"4130962","11.7697","0.0004","14.8198","0.0005","13.0749","0.0004","90","","107.482","0.001","90","","2175.25","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O7 S -","- C21 H21 N O7 S -","- C84 H84 N4 O28 S4 -","4","1","","Shen, Tao; Zhang, Yiqun; Liang, Yu-Feng; Jiao, Ning","Direct Tryptophols Synthesis from 2-Vinylanilines and Alkynes via C≡C Triple Bond Cleavage and Dioxygen Activation.","Journal of the American Chemical Society","2016","138","40","13147","13150","10.1021/jacs.6b08094","","","0.71073","MoKα","","0.0636","0.0429","","","0.1103","0.1239","","","","","","1.034","","","","has coordinates","241287","2020-10-21","18:00:00",""
"4130963","47.8736","0.0015","19.1675","0.0006","16.5421","0.0005","90","","97.306","0.002","90","","15056.1","0.8","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C91.5 H91.5 N0 -","- C91.5 H91.5 -","- C732 H732 -","8","1","","Lu, Xuefeng; Lee, Sangsu; Kim, Jun Oh; Gopalakrishna, Tullimilli Y.; Phan, Hoa; Herng, Tun Seng; Lim, Zhenglong; Zeng, Zebing; Ding, Jun; Kim, Dongho; Wu, Jishan","Stable 3,6-Linked Fluorenyl Radical Oligomers with Intramolecular Antiferromagnetic Coupling and Polyradical Characters.","Journal of the American Chemical Society","2016","138","39","13048","13058","10.1021/jacs.6b08138","","","1.54178","CuKα","","0.1224","0.0998","","","0.272","0.2901","","","","","","1.084","","","","has coordinates,has disorder","241288","2020-10-21","18:00:00",""
"4130964","53.095","0.004","10.224","0.0008","35.66","0.002","90","","109.528","0.007","90","","18244","2","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C102 H96 -","- C102 H96 -","- C816 H768 -","8","1","","Lu, Xuefeng; Lee, Sangsu; Kim, Jun Oh; Gopalakrishna, Tullimilli Y.; Phan, Hoa; Herng, Tun Seng; Lim, Zhenglong; Zeng, Zebing; Ding, Jun; Kim, Dongho; Wu, Jishan","Stable 3,6-Linked Fluorenyl Radical Oligomers with Intramolecular Antiferromagnetic Coupling and Polyradical Characters.","Journal of the American Chemical Society","2016","138","39","13048","13058","10.1021/jacs.6b08138","","","1.54178","CuKα","","0.2116","0.1736","","","0.4337","0.4579","","","","","","1.554","","","","has coordinates","241289","2020-10-21","18:00:00",""
"4130965","33.5416","0.001","7.4594","0.0002","15.8608","0.0005","90","","106.7","0.003","90","","3801","0.2","180","2","180","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C30 H46 B2 Cl4 F N O7 S -","- C30 H46 B2 Cl4 F N O7 S -","- C120 H184 B8 Cl16 F4 N4 O28 S4 -","4","0.5","","Davis, Holly J.; Mihai, Madalina T.; Phipps, Robert J.","Ion Pair-Directed Regiocontrol in Transition-Metal Catalysis: A Meta-Selective C-H Borylation of Aromatic Quaternary Ammonium Salts.","Journal of the American Chemical Society","2016","138","39","12759","12762","10.1021/jacs.6b08164","","","1.54178","CuKα","","0.1111","0.0943","","","0.2727","0.2915","","","","","","1.057","","","","has coordinates,has disorder","241290","2020-10-21","18:00:00",""
"4130966","44.856","0.002","44.856","0.002","44.856","0.002","90","","90","","90","","90253","7","100","0.1","100.15","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C94 H68 O32 Zr6 -","- C93.9996 H63.0012 O32 Zr6 -","- C1503.99 H1008.02 O512 Zr96 -","16","0.0833333","","Alezi, Dalal; Spanopoulos, Ioannis; Tsangarakis, Constantinos; Shkurenko, Aleksander; Adil, Karim; Belmabkhout, Youssef; O Keeffe, Michael; Eddaoudi, Mohamed; Trikalitis, Pantelis N.","Reticular Chemistry at Its Best: Directed Assembly of Hexagonal Building Units into the Awaited Metal-Organic Framework with the Intricate Polybenzene Topology, pbz-MOF.","Journal of the American Chemical Society","2016","138","39","12767","12770","10.1021/jacs.6b08176","","","1.54178","CuKα","","0.1006","0.08","","","0.2482","0.2703","","","","","","1.003","","","","has coordinates,has disorder","241291","2020-10-21","18:00:00",""
"4130967","10.3259","0.0014","10.7672","0.0014","10.8895","0.0015","102.936","0.003","115.2","0.003","99.243","0.003","1021.7","0.2","198","2","198.21","","","","","","","","","4","P -1","-P 1","2","","Pinacolone enolate","","- C18 H33 Li3 O3 -","- C18 H33 Li3 O3 -","- C36 H66 Li6 O6 -","2","1","","Guang, Jie; Liu, Qiyong; Hopson, Russell; Kagan, Gerald; Li, Weibin; Monroe, Thomas B.; Williard, Paul G.","Conformational Polymorphism of Lithium Pinacolone Enolate.","Journal of the American Chemical Society","2016","138","46","15177","15188","10.1021/jacs.6b08177","","","0.71073","MoKα","","0.0631","0.0546","","","0.1288","0.1341","","","","","","1.0574","","","","has coordinates","241292","2020-10-21","18:00:00",""
"4130968","12.6934","0.0006","16.405","0.0008","17.556","0.0008","62.79","0.002","82.644","0.002","89.71","0.002","3218.5","0.3","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H48 B Cl2 F24 Ir N2 O2 -","- C64 H48 B Cl2 F24 Ir N2 O2 -","- C128 H96 B2 Cl4 F48 Ir2 N4 O4 -","2","1","","Park, Yoonsu; Heo, Joon; Baik, Mu-Hyun; Chang, Sukbok","Why is the Ir(III)-Mediated Amido Transfer Much Faster Than the Rh(III)-Mediated Reaction? A Combined Experimental and Computational Study.","Journal of the American Chemical Society","2016","138","42","14020","14029","10.1021/jacs.6b08211","","","0.71073","MoKα","","0.0668","0.0527","","","0.1167","0.1257","","","","","","1.081","","","","has coordinates,has disorder","241293","2020-10-21","18:00:00",""
"4130969","12.826","0.004","16.245","0.005","21.953","0.006","89.214","0.012","89.3","0.015","89.609","0.013","4573","2","100","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H67 N5 O8 -","- C41 H67 N5 O8 -","- C164 H268 N20 O32 -","4","2","","Shin, Seonho; Lee, Mihye; Guzei, Ilia A.; Kang, Young Kee; Choi, Soo Hyuk","12/10-Helical β-Peptide with Dynamic Folding Propensity: Coexistence of Right- and Left-Handed Helices in an Enantiomeric Foldamer.","Journal of the American Chemical Society","2016","138","40","13390","13395","10.1021/jacs.6b08235","","x-ray","0.71073","MoKα","","0.0467","0.0391","","","0.102","0.1074","","","","","","1.025","","","","has coordinates","241294","2020-10-21","18:00:00",""
"4130970","9.727","0.002","17.75","0.003","25.98","0.003","90","","90","","90","","4485.6","1.3","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44.5 H76.5 N6 O7 -","- C41 H68 N6 O7 -","- C164 H272 N24 O28 -","4","1","","Shin, Seonho; Lee, Mihye; Guzei, Ilia A.; Kang, Young Kee; Choi, Soo Hyuk","12/10-Helical β-Peptide with Dynamic Folding Propensity: Coexistence of Right- and Left-Handed Helices in an Enantiomeric Foldamer.","Journal of the American Chemical Society","2016","138","40","13390","13395","10.1021/jacs.6b08235","","x-ray","1.54178","CuKα","","0.0458","0.0361","","","0.0782","0.0821","","","","","","1.03","","","","has coordinates","241294","2020-10-21","18:00:00",""
"4130971","11.5874","0.0016","23.587","0.003","16.789","0.003","90","","93.663","0.01","90","","4579.3","1.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H74 N6 O7 -","- C44 H74 N6 O7 -","- C176 H296 N24 O28 -","4","2","","Shin, Seonho; Lee, Mihye; Guzei, Ilia A.; Kang, Young Kee; Choi, Soo Hyuk","12/10-Helical β-Peptide with Dynamic Folding Propensity: Coexistence of Right- and Left-Handed Helices in an Enantiomeric Foldamer.","Journal of the American Chemical Society","2016","138","40","13390","13395","10.1021/jacs.6b08235","","x-ray","1.54178","CuKα","","0.0335","0.0325","","","0.0808","0.0816","","","","","","1.051","","","","has coordinates","241294","2020-10-21","18:00:00",""
"4130972","9.8305","0.0013","7.1725","0.0009","18.792","0.003","90","","91.454","0.01","90","","1324.6","0.3","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 N2 O -","- C31 H28 N2 O -","- C62 H56 N4 O2 -","2","1","","Lin, Hua-Chen; Wang, Pu-Sheng; Tao, Zhong-Lin; Chen, Yu-Gen; Han, Zhi-Yong; Gong, Liu-Zhu","Highly Enantioselective Allylic C-H Alkylation of Terminal Olefins with Pyrazol-5-ones Enabled by Cooperative Catalysis of Palladium Complex and Brønsted Acid.","Journal of the American Chemical Society","2016","138","43","14354","14361","10.1021/jacs.6b08236","","","1.54178","CuKα","","0.123","0.0926","","","0.2248","0.2568","","","","","","0.997","","","","has coordinates","241295","2020-10-21","18:00:00",""
"4130973","29.178","0.006","7.2062","0.0014","27.81","0.006","90","","118.307","0.004","90","","5148.2","1.8","130","","130","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H25 Cl N4 O3 -","- C30 H25 Cl N4 O3 -","- C240 H200 Cl8 N32 O24 -","8","2","","Lin, Hua-Chen; Wang, Pu-Sheng; Tao, Zhong-Lin; Chen, Yu-Gen; Han, Zhi-Yong; Gong, Liu-Zhu","Highly Enantioselective Allylic C-H Alkylation of Terminal Olefins with Pyrazol-5-ones Enabled by Cooperative Catalysis of Palladium Complex and Brønsted Acid.","Journal of the American Chemical Society","2016","138","43","14354","14361","10.1021/jacs.6b08236","","","0.71073","MoKα","","0.1089","0.0561","","","0.084","0.0994","","","","","","0.97","","","","has coordinates","241296","2020-10-21","18:00:00",""
"4130974","8.8033","0.0004","14.9971","0.0007","24.8202","0.0011","84.356","0.003","85.371","0.003","79.193","0.004","3196.6","0.3","296","","296","","","","","","","","","4","P 1","P 1","1","","","","- C37 H32 N4 O3 -","- C37 H32 N4 O3 -","- C148 H128 N16 O12 -","4","4","","Lin, Hua-Chen; Wang, Pu-Sheng; Tao, Zhong-Lin; Chen, Yu-Gen; Han, Zhi-Yong; Gong, Liu-Zhu","Highly Enantioselective Allylic C-H Alkylation of Terminal Olefins with Pyrazol-5-ones Enabled by Cooperative Catalysis of Palladium Complex and Brønsted Acid.","Journal of the American Chemical Society","2016","138","43","14354","14361","10.1021/jacs.6b08236","","","1.54178","CuKα","","0.0976","0.0867","","","0.2183","0.2413","","","","","","1.021","","","","has coordinates","241297","2020-10-21","18:00:00",""
"4130975","7.3216","0.0003","11.8592","0.0004","14.0954","0.0005","67.1137","0.0006","85.7285","0.0006","88.6015","0.0006","1124.39","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 Cl N4 O3 -","- C22 H29 Cl N4 O3 -","- C44 H58 Cl2 N8 O6 -","2","1","","Drori, Ran; Li, Chao; Hu, Chunhua; Raiteri, Paolo; Rohl, Andrew L.; Ward, Michael D.; Kahr, Bart","A Supramolecular Ice Growth Inhibitor.","Journal of the American Chemical Society","2016","138","40","13396","13401","10.1021/jacs.6b08267","","","0.71073","MoKα","","0.0425","0.0382","","","0.1077","0.1122","","","","","","1.052","","","","has coordinates","241298","2020-10-21","18:00:00",""
"4130976","18.8662","0.0009","21.1549","0.0011","18.224","0.0009","90","","114.134","0.001","90","","6637.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17.14 Cl N4 O1.07 -","- C18 H17.1445 Cl N4 O1.07225 -","- C288 H274.312 Cl16 N64 O17.156 -","16","4","","Drori, Ran; Li, Chao; Hu, Chunhua; Raiteri, Paolo; Rohl, Andrew L.; Ward, Michael D.; Kahr, Bart","A Supramolecular Ice Growth Inhibitor.","Journal of the American Chemical Society","2016","138","40","13396","13401","10.1021/jacs.6b08267","","","0.41328","synchrotron","","0.0711","0.0586","","","0.1621","0.1768","","","","","","1.043","","","","has coordinates,has disorder","241298","2020-10-21","18:00:00",""
"4130977","10.287","0.004","11.63","0.005","12.711","0.005","63.097","0.004","69.525","0.004","64.5","0.004","1201.1","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H31 N5 O5 -","- C24 H31 N5 O5 -","- C48 H62 N10 O10 -","2","1","","Drori, Ran; Li, Chao; Hu, Chunhua; Raiteri, Paolo; Rohl, Andrew L.; Ward, Michael D.; Kahr, Bart","A Supramolecular Ice Growth Inhibitor.","Journal of the American Chemical Society","2016","138","40","13396","13401","10.1021/jacs.6b08267","","","0.71073","MoKα","","0.1099","0.0616","","","0.1576","0.1871","","","","","","1.028","","","","has coordinates,has disorder","241298","2020-10-21","18:00:00",""
"4130978","12.783","0.002","7.119","0.0014","22.379","0.004","90","","97.446","0.003","90","","2019.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Cl N4 O2 -","- C20 H19 N4 -","- C80 H76 N16 -","4","1","","Drori, Ran; Li, Chao; Hu, Chunhua; Raiteri, Paolo; Rohl, Andrew L.; Ward, Michael D.; Kahr, Bart","A Supramolecular Ice Growth Inhibitor.","Journal of the American Chemical Society","2016","138","40","13396","13401","10.1021/jacs.6b08267","","","0.71073","MoKα","","0.1882","0.112","","","0.3555","0.4071","","","","","","1.079","","","","has coordinates,has disorder","241298","2020-10-21","18:00:00",""
"4130979","9.2236","0.0003","12.0067","0.0004","29.5763","0.0011","90","","95.7501","0.0009","90","","3258.95","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H46 N4 Ni O5 -","- C33 H46 N4 Ni O5 -","- C132 H184 N16 Ni4 O20 -","4","1","","Pirovano, Paolo; Farquhar, Erik R.; Swart, Marcel; McDonald, Aidan R.","Tuning the Reactivity of Terminal Nickel(III)-Oxygen Adducts for C-H Bond Activation.","Journal of the American Chemical Society","2016","138","43","14362","14370","10.1021/jacs.6b08406","","","0.71073","MoKα","","0.0503","0.0362","","","0.0821","0.088","","","","","","1.068","","","","has coordinates,has disorder","241299","2020-10-21","18:00:00",""
"4130980","13.9373","0.001","11.6859","0.0008","14.2687","0.0009","90","","101.557","0.0017","90","","2276.8","0.3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N4 Ni O2 -","- C25 H24 N4 Ni O2 -","- C100 H96 N16 Ni4 O8 -","4","1","","Pirovano, Paolo; Farquhar, Erik R.; Swart, Marcel; McDonald, Aidan R.","Tuning the Reactivity of Terminal Nickel(III)-Oxygen Adducts for C-H Bond Activation.","Journal of the American Chemical Society","2016","138","43","14362","14370","10.1021/jacs.6b08406","","x-ray","0.71073","MoKα","","0.072","0.0384","","","0.076","0.0873","","","","","","1.023","","","","has coordinates","241300","2020-10-21","18:00:00",""
"4130981","17.8415","0.0009","11.2027","0.0006","17.1224","0.0008","90","","109.147","0.001","90","","3233","0.3","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H41 N5 Ni O5 -","- C31 H41 N5 Ni O5 -","- C124 H164 N20 Ni4 O20 -","4","1","","Pirovano, Paolo; Farquhar, Erik R.; Swart, Marcel; McDonald, Aidan R.","Tuning the Reactivity of Terminal Nickel(III)-Oxygen Adducts for C-H Bond Activation.","Journal of the American Chemical Society","2016","138","43","14362","14370","10.1021/jacs.6b08406","","x-ray","0.71073","MoKα","","0.061","0.0555","","","0.1351","0.1389","","","","","","1.037","","","","has coordinates,has disorder","241301","2020-10-21","18:00:00",""
"4130982","22.7774","0.0012","22.7774","0.0012","12.8368","0.0006","90","","90","","120","","5767.6","0.5","100","2","100.15","","","","","","","","","7","P 3 2 1","P 3 2""","150","","","","- C112 H105 Eu F9 N9 O25 S3 -","- C112 H105.001 Eu F9 N9 O25.0002 S3 -","- C224 H210.001 Eu2 F18 N18 O50.0004 S6 -","2","0.333333","","Gil-Ramírez, Guzmán; Hoekman, Steven; Kitching, Matthew O.; Leigh, David A.; Vitorica-Yrezabal, Iñigo J; Zhang, Gen","Tying a Molecular Overhand Knot of Single Handedness and Asymmetric Catalysis with the Corresponding Pseudo-D<sub>3</sub>-Symmetric Trefoil Knot.","Journal of the American Chemical Society","2016","138","40","13159","13162","10.1021/jacs.6b08421","","x-ray","0.6889","","","0.1502","0.1144","","","0.3021","0.3394","","","","","","1.093","","","","has coordinates,has disorder","241302","2020-10-21","18:00:00",""
"4130983","10.7702","0.0003","12.3858","0.0003","13.0046","0.0003","80.57","0.001","79.217","0.001","70.885","0.001","1600.33","0.07","100","","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H40 N O2 P2 S16 V -","- C65 H43 O2 P2 S16 V -","- C65 H43 O2 P2 S16 V -","1","0.5","","Yu, Chung-Jui; Graham, Michael J.; Zadrozny, Joseph M.; Niklas, Jens; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Poluektov, Oleg G.; Freedman, Danna E.","Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits.","Journal of the American Chemical Society","2016","138","44","14678","14685","10.1021/jacs.6b08467","","","0.71073","MoKα","","0.0374","0.0354","","","0.0871","0.0886","","","","","","1.085","","","","has coordinates,has disorder","241303","2020-10-21","18:00:00",""
"4130984","20.132","0.0005","12.566","0.0004","20.6518","0.0006","90","","94.866","0.001","90","","5205.6","0.3","100.06","","100.06","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 O P2 S10 V -","- C54 H40 O P2 S10 V -","- C216 H160 O4 P8 S40 V4 -","4","0.5","","Yu, Chung-Jui; Graham, Michael J.; Zadrozny, Joseph M.; Niklas, Jens; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Poluektov, Oleg G.; Freedman, Danna E.","Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits.","Journal of the American Chemical Society","2016","138","44","14678","14685","10.1021/jacs.6b08467","","","0.71073","MoKα","","0.0364","0.0305","","","0.0739","0.0773","","","","","","1.034","","","","has coordinates","241304","2020-10-21","18:00:00",""
"4130985","10.9282","0.0005","14.9295","0.0006","15.4749","0.0007","90","","91.432","0.002","90","","2523.98","0.19","99.99","","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H40 O3 P2 S8 V -","- C54 H40 O3 P2 S8 V -","- C108 H80 O6 P4 S16 V2 -","2","0.5","","Yu, Chung-Jui; Graham, Michael J.; Zadrozny, Joseph M.; Niklas, Jens; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Poluektov, Oleg G.; Freedman, Danna E.","Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits.","Journal of the American Chemical Society","2016","138","44","14678","14685","10.1021/jacs.6b08467","","","1.54178","CuKα","","0.0746","0.074","","","0.1809","0.1811","","","","","","1.374","","","","has coordinates","241305","2020-10-21","18:00:00",""
"4130986","11.0123","0.0006","15.169","0.0009","15.074","0.0008","90","","94.532","0.003","90","","2510.2","0.2","100","2","100.07","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H40 O P2 S10 V -","- C54 H40 O P2 S10 V -","- C108 H80 O2 P4 S20 V2 -","2","0.5","","Yu, Chung-Jui; Graham, Michael J.; Zadrozny, Joseph M.; Niklas, Jens; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Poluektov, Oleg G.; Freedman, Danna E.","Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits.","Journal of the American Chemical Society","2016","138","44","14678","14685","10.1021/jacs.6b08467","","","0.71073","MoKα","","0.0541","0.045","","","0.0914","0.0943","","","","","","1.168","","","","has coordinates,has disorder","241306","2020-10-21","18:00:00",""
"4130987","7.7605","0.0011","9.9453","0.0014","22.343","0.003","90","","100.129","0.004","90","","1697.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H7 F9 N2 -","- C20 H7 F9 N2 -","- C80 H28 F36 N8 -","4","1","","Peterson, Paul W.; Shevchenko, Nikolay; Breiner, Boris; Manoharan, Mariappan; Lufti, Forat; Delaune, Jess; Kingsley, Margaret; Kovnir, Kirill; Alabugin, Igor V.","Orbital Crossings Activated through Electron Injection: Opening Communication between Orthogonal Orbitals in Anionic C1-C5 Cyclizations of Enediynes.","Journal of the American Chemical Society","2016","138","48","15617","15628","10.1021/jacs.6b08540","","","0.71073","MoKα","","0.0551","0.0346","","","0.082","0.0916","","","","","","1.037","","","","has coordinates,has disorder","241307","2020-10-21","18:00:00",""
"4130988","29.525","0.006","23.121","0.004","14.177","0.003","90","","103.333","0.006","90","","9417","3","100","","100","","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C64 H72 Au8 F24 N30 P4 -","- C64 H72 Au8 F24 N30 P4 -","- C256 H288 Au32 F96 N120 P16 -","4","1","","Altmann, Philipp J.; Pöthig, Alexander","Pillarplexes: A Metal-Organic Class of Supramolecular Hosts.","Journal of the American Chemical Society","2016","138","40","13171","13174","10.1021/jacs.6b08571","","x-ray","0.71073","MoKα","","0.0488","0.0375","","","0.0893","0.0952","","","","","","1.034","","","","has coordinates","241308","2020-10-21","18:00:00",""
"4130989","8.6249","0.0017","14.82","0.003","10.971","0.002","90","","95.98","0.03","90","","1394.7","0.5","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","2","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.031","0.0296","","","0.0779","0.0788","","","","","","1.074","","","","has coordinates,has disorder","241310","2020-10-21","18:00:00",""
"4130990","6.1191","0.0008","11.5957","0.0014","21.292","0.002","90","","90.255","0.01","90","","1510.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N O3 S -","- C16 H21 N O3 S -","- C64 H84 N4 O12 S4 -","4","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.1139","0.077","","","0.178","0.1993","","","","","","1.057","","","","has coordinates","241311","2020-10-21","18:00:00",""
"4130991","28.7207","0.0009","12.1769","0.0003","10.4303","0.0003","90","","97.444","0.002","90","","3617.04","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H27 N O3 S -","- C19 H27 N O3 S -","- C152 H216 N8 O24 S8 -","8","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.0863","0.0519","","","0.1165","0.1312","","","","","","1.032","","","","has coordinates,has disorder","241312","2020-10-21","18:00:00",""
"4130992","13.658","0.0008","5.6045","0.0003","20.168","0.0013","90","","97.722","0.004","90","","1529.79","0.16","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O3 S -","- C16 H21 N O3 S -","- C64 H84 N4 O12 S4 -","4","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.0584","0.0424","","","0.0939","0.1011","","","","","","1.066","","","","has coordinates,has disorder","241313","2020-10-21","18:00:00",""
"4130993","8.0648","0.0004","8.3002","0.0004","14.4327","0.0008","88.447","0.003","74.397","0.003","69.748","0.003","870.66","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N O3 S -","- C18 H25 N O3 S -","- C36 H50 N2 O6 S2 -","2","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.0406","0.0339","","","0.0866","0.0907","","","","","","1.029","","","","has coordinates","241314","2020-10-21","18:00:00",""
"4130994","9.2982","0.0005","17.6122","0.0011","25.4699","0.0015","90","","90","","90","","4171","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H27 N O4 S -","- C23 H27 N O4 S -","- C184 H216 N8 O32 S8 -","8","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.0911","0.0487","","","0.1015","0.1203","","","","","","1.027","","","","has coordinates,has disorder","241315","2020-10-21","18:00:00",""
"4130995","18.1147","0.0004","9.2175","0.0002","18.0021","0.0004","90","","102.909","0.0013","90","","2929.88","0.11","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C120 H168 N8 O24 S8 -","8","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.0447","0.0375","","","0.101","0.1063","","","","","","1.028","","","","has coordinates,has disorder","241317","2020-10-21","18:00:00",""
"4130996","8.7899","0.0004","11.2965","0.0005","13.9729","0.0007","90","","99.078","0.004","90","","1370.06","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.0848","0.0523","","","0.107","0.1196","","","","","","1.064","","","","has coordinates,has disorder","241318","2020-10-21","18:00:00",""
"4130997","6.4374","0.0008","9.2636","0.0013","32.837","0.004","90","","90.103","0.005","90","","1958.2","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C88 H116 N4 O12 -","4","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","1.54178","CuKα","","0.0357","0.0344","","","0.0877","0.0893","","","","","","1.084","","","","has coordinates","241319","2020-10-21","18:00:00",""
"4130998","5.8941","0.0003","18.9753","0.001","16.8998","0.0009","90","","93.593","0.003","90","","1886.4","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C92 H100 N4 O12 -","4","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.1144","0.0549","","","0.1256","0.1545","","","","","","1.014","","","","has coordinates,has disorder","241321","2020-10-21","18:00:00",""
"4130999","6.712","0.004","12.071","0.007","14.442","0.009","78.49","0.011","89.905","0.015","76.71","0.016","1114.7","1.2","100","2","293","2","","","","","","","","3","P -1","-P 1","2","Py3:PFB","","","- C52 H44 F10 -","- C52 H44 F10 -","- C52 H44 F10 -","1","0.5","","Lu, Jingzhi; Khetrapal, Navneet S.; Johnson, Jacob A.; Zeng, Xiao Cheng; Zhang, Jian","""π-Hole-π"" Interaction Promoted Photocatalytic Hydrodefluorination via Inner-Sphere Electron Transfer.","Journal of the American Chemical Society","2016","138","49","15805","15808","10.1021/jacs.6b08620","","","0.41328","synchrotron","","0.1675","0.1559","","","0.3785","0.3857","","","","","","3.091","","","","has coordinates","241322","2020-10-21","18:00:00",""
"4131000","6.6791","0.0006","11.778","0.0012","14.4954","0.0015","98.279","0.003","91.547","0.003","103.011","0.003","1097.36","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","Py3:HFB","","","- C52 H42 F12 -","- C52 H42 F12 -","- C52 H42 F12 -","1","0.5","","Lu, Jingzhi; Khetrapal, Navneet S.; Johnson, Jacob A.; Zeng, Xiao Cheng; Zhang, Jian","""π-Hole-π"" Interaction Promoted Photocatalytic Hydrodefluorination via Inner-Sphere Electron Transfer.","Journal of the American Chemical Society","2016","138","49","15805","15808","10.1021/jacs.6b08620","","","0.41328","synchrotron","","0.0992","0.091","","","0.2848","0.3028","","","","","","1.378","","","","has coordinates","241324","2020-10-21","18:00:00",""
"4131001","6.672","0.003","11.972","0.004","14.349","0.005","78.402","0.019","89.63","0.02","76.61","0.02","1091.3","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Py3:TFB","","","- C52 H46 F8 -","- C52 H46 F8 -","- C52 H46 F8 -","1","0.5","","Lu, Jingzhi; Khetrapal, Navneet S.; Johnson, Jacob A.; Zeng, Xiao Cheng; Zhang, Jian","""π-Hole-π"" Interaction Promoted Photocatalytic Hydrodefluorination via Inner-Sphere Electron Transfer.","Journal of the American Chemical Society","2016","138","49","15805","15808","10.1021/jacs.6b08620","","","0.41328","synchrotron","","0.1729","0.1381","","","0.329","0.3544","","","","","","1.403","","","","has coordinates","241325","2020-10-21","18:00:00",""
"4131002","16.545","0.003","5.7664","0.0011","17.656","0.003","90","","102.525","0.004","90","","1644.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 I N O2 -","- C16 H18 I N O2 -","- C64 H72 I4 N4 O8 -","4","1","","Xu, Bin; Tambar, Uttam K.","Ligand-Controlled Regiodivergence in the Copper-Catalyzed [2,3]- and [1,2]-Rearrangements of Iodonium Ylides.","Journal of the American Chemical Society","2016","138","37","12073","12076","10.1021/jacs.6b08624","","","0.71073","MoKα","","0.0239","0.021","","","0.0451","0.0462","","","","","","1.078","","","","has coordinates","241326","2020-10-21","18:00:00",""
"4131003","20.9019","0.0019","8.624","0.0007","10.1737","0.0009","90","","90","","90","","1833.9","0.3","200","2","200","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C42 H43 Cl2 Co N3 O2 -","- C42 H41 Cl2 Co N3 O2 -","- C84 H82 Cl4 Co2 N6 O4 -","2","0.5","","Wang, Chun-Chieh; Chang, Hao-Ching; Lai, Yei-Chen; Fang, Huayi; Li, Chieh-Chin; Hsu, Hung-Kai; Li, Zong-Yan; Lin, Tien-Sung; Kuo, Ting-Shen; Neese, Frank; Ye, Shengfa; Chiang, Yun-Wei; Tsai, Ming-Li; Liaw, Wen-Feng; Lee, Way-Zen","A Structurally Characterized Nonheme Cobalt-Hydroperoxo Complex Derived from Its Superoxo Intermediate via Hydrogen Atom Abstraction.","Journal of the American Chemical Society","2016","138","43","14186","14189","10.1021/jacs.6b08642","","","0.71073","MoKα","","0.0681","0.0512","","","0.0993","0.1082","","","","","","1.027","","","","has coordinates","241327","2020-10-21","18:00:00",""
"4131004","13.6583","0.0012","13.9494","0.0013","20.992","0.0016","90","","90","","90","","3999.5","0.6","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H51 B Co F4 N3 O4 -","- C45 H51 B Co F4 N3 O4 -","- C180 H204 B4 Co4 F16 N12 O16 -","4","1","","Wang, Chun-Chieh; Chang, Hao-Ching; Lai, Yei-Chen; Fang, Huayi; Li, Chieh-Chin; Hsu, Hung-Kai; Li, Zong-Yan; Lin, Tien-Sung; Kuo, Ting-Shen; Neese, Frank; Ye, Shengfa; Chiang, Yun-Wei; Tsai, Ming-Li; Liaw, Wen-Feng; Lee, Way-Zen","A Structurally Characterized Nonheme Cobalt-Hydroperoxo Complex Derived from Its Superoxo Intermediate via Hydrogen Atom Abstraction.","Journal of the American Chemical Society","2016","138","43","14186","14189","10.1021/jacs.6b08642","","","0.71073","MoKα","","0.0771","0.0578","","","0.1596","0.1855","","","","","","1.103","","","","has coordinates","241327","2020-10-21","18:00:00",""
"4131005","13.5048","0.0014","13.8737","0.0015","21.217","0.003","90","","90","","90","","3975.2","0.8","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H54 Co N3 O7 -","- C45 H54 Co N3 O7 -","- C180 H216 Co4 N12 O28 -","4","1","","Wang, Chun-Chieh; Chang, Hao-Ching; Lai, Yei-Chen; Fang, Huayi; Li, Chieh-Chin; Hsu, Hung-Kai; Li, Zong-Yan; Lin, Tien-Sung; Kuo, Ting-Shen; Neese, Frank; Ye, Shengfa; Chiang, Yun-Wei; Tsai, Ming-Li; Liaw, Wen-Feng; Lee, Way-Zen","A Structurally Characterized Nonheme Cobalt-Hydroperoxo Complex Derived from Its Superoxo Intermediate via Hydrogen Atom Abstraction.","Journal of the American Chemical Society","2016","138","43","14186","14189","10.1021/jacs.6b08642","","","0.71073","MoKα","","0.0437","0.0381","","","0.0979","0.1015","","","","","","1.035","","","","has coordinates","241327","2020-10-21","18:00:00",""
"4131006","8.4175","0.0005","10.6899","0.0007","22.6411","0.0014","90","","95.127","0.002","90","","2029.1","0.2","189","2","189","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H48 Mo2 N6 O7 S8 -","- C26 H48 Mo2 N6 O7 S8 -","- C52 H96 Mo4 N12 O14 S16 -","2","0.5","","Garrett, Benjamin R.; Click, Kevin A.; Durr, Christopher B.; Hadad, Christopher M.; Wu, Yiying","[MoO(S<sub>2</sub>)<sub>2</sub>L]<sup>1-</sup> (L = picolinate or pyrimidine-2-carboxylate) Complexes as MoS<sub>x</sub>-Inspired Electrocatalysts for Hydrogen Production in Aqueous Solution.","Journal of the American Chemical Society","2016","138","41","13726","13731","10.1021/jacs.6b08652","","","0.71073","MoKα","","0.0413","0.0286","","","0.0609","0.0667","","","","","","1.003","","","","has coordinates","241328","2020-10-21","18:00:00",""
"4131007","12.6807","0.001","12.2202","0.001","13.4341","0.001","90","","109.872","0.002","90","","1957.8","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Mo N2 O3 S4 -","- C14 H24 Mo N2 O3 S4 -","- C56 H96 Mo4 N8 O12 S16 -","4","1","","Garrett, Benjamin R.; Click, Kevin A.; Durr, Christopher B.; Hadad, Christopher M.; Wu, Yiying","[MoO(S<sub>2</sub>)<sub>2</sub>L]<sup>1-</sup> (L = picolinate or pyrimidine-2-carboxylate) Complexes as MoS<sub>x</sub>-Inspired Electrocatalysts for Hydrogen Production in Aqueous Solution.","Journal of the American Chemical Society","2016","138","41","13726","13731","10.1021/jacs.6b08652","","","0.71073","MoKα","","0.0388","0.0278","","","0.0641","0.0706","","","","","","0.984","","","","has coordinates","241329","2020-10-21","18:00:00",""
"4131008","8.7409","0.0005","10.9925","0.0006","17.4245","0.001","106.582","0.004","94.206","0.005","97.026","0.005","1582.2","0.16","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H24 B2 O4 -","- C46 H24 B2 O4 -","- C92 H48 B4 O8 -","2","1","","Wang, Xiao-Ye; Wang, Xin-Chang; Narita, Akimitsu; Wagner, Manfred; Cao, Xiao-Yu; Feng, Xinliang; Müllen, Klaus","Synthesis, Structure, and Chiroptical Properties of a Double [7]Heterohelicene.","Journal of the American Chemical Society","2016","138","39","12783","12786","10.1021/jacs.6b08664","","","0.71073","MoKα","","0.0865","0.0479","","","0.1153","0.1351","","","","","","1.009","","","","has coordinates","241330","2020-10-21","18:00:00",""
"4131009","32.9726","0.001","32.9726","0.001","10.6792","0.0003","90","","90","","120","","10054.9","0.5","193","2","193","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C50 H37 Br O4 -","- C50 H37 Br O4 -","- C450 H333 Br9 O36 -","9","0.5","","Wang, Xiao-Ye; Wang, Xin-Chang; Narita, Akimitsu; Wagner, Manfred; Cao, Xiao-Yu; Feng, Xinliang; Müllen, Klaus","Synthesis, Structure, and Chiroptical Properties of a Double [7]Heterohelicene.","Journal of the American Chemical Society","2016","138","39","12783","12786","10.1021/jacs.6b08664","","","0.71073","MoKα","","0.1359","0.0932","","","0.2454","0.267","","","","","","1.525","","","","has coordinates,has disorder","241330","2020-10-21","18:00:00",""
"4131010","19.0058","0.0018","19.4184","0.0019","27.044","0.003","90","","90","","90","","9980.9","1.8","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C116 H106 Ag4 O4 P4 -","- C116 H94 Ag4 O4 P4 -","- C464 H376 Ag16 O16 P16 -","4","0.5","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.0614","0.0485","","","0.123","0.1361","","","","","","1.119","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131011","18.753","0.003","22.105","0.004","22.412","0.004","83.449","0.003","81.184","0.003","74.146","0.003","8806","3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H88 Ag4 P4 -","- C100 H88 Ag4 P4 -","- C400 H352 Ag16 P16 -","4","2","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.1256","0.0901","","","0.2325","0.2944","","","","","","1.104","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131012","19.6169","0.0018","27.203","0.003","37.155","0.004","90","","90","","90","","19827","4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C108 H102 Ag4 N2 P4 -","- C108 H102 Ag4 N2 P4 -","- C864 H816 Ag32 N16 P32 -","8","1","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.0739","0.055","","","0.13","0.1469","","","","","","1.211","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131013","17.876","0.002","24.26","0.003","29.799","0.004","90","","93.058","0.003","90","","12905","3","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C146 H142 Ag3 Cu F6 O2 P7 -","- C146 H142 Ag3 Cu F6 O2 P7 -","- C584 H568 Ag12 Cu4 F24 O8 P28 -","4","1","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.1371","0.0784","","","0.1645","0.2006","","","","","","1.084","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131014","13.6648","0.0014","15.9205","0.0018","27.74","0.003","94.708","0.002","90.237","0.002","111.692","0.002","5584.7","1","173","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C129 H111 Ag3 Cu F6 P7 -","- C129 H111 Ag3 Cu F6 P7 -","- C258 H222 Ag6 Cu2 F12 P14 -","2","1","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.1109","0.0731","","","0.1752","0.2005","","","","","","1.062","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131015","17.29","0.002","22.473","0.002","38.287","0.004","90","","93.844","0.003","90","","14843","3","173","2","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C166 H166 Ag7 Cu F7 O1.5 P6 -","- C166 H164 Ag7 Cu F7 O1.5 P6 -","- C664 H656 Ag28 Cu4 F28 O6 P24 -","4","1","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.1373","0.0988","","","0.246","0.2964","","","","","","1.127","","","","has coordinates,has disorder","241331","2020-10-21","18:00:00",""
"4131016","19.067","0.002","23.256","0.003","33.242","0.004","90","","97.73","0.002","90","","14606","3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C146 H139 Ag7 Cl Cu O5 P5 -","- C146 H121 Ag7 Cl Cu O4 P5 -","- C584 H484 Ag28 Cl4 Cu4 O16 P20 -","4","1","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.1114","0.0947","","","0.2202","0.2308","","","","","","1.026","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131017","17.2502","0.0014","17.4681","0.0014","22.3312","0.0018","110.625","0.002","103.643","0.002","94.745","0.002","6017.5","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H115 Ag6 Cu F6 P6 -","- C132 H103 Ag6 Cu F6 P6 -","- C264 H206 Ag12 Cu2 F12 P12 -","2","1","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.1039","0.0874","","","0.235","0.2597","","","","","","1.093","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131018","16.1392","0.0015","18.1415","0.0017","18.8643","0.0018","64.357","0.002","67.868","0.002","83.347","0.002","4605","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C208 H198 Ag10 Cu2 F12 P8 -","- C208 H178 Ag10 Cu2 F12 P8 -","- C208 H178 Ag10 Cu2 F12 P8 -","1","0.5","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.0864","0.0681","","","0.1792","0.2016","","","","","","1.07","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131019","15.5936","0.0018","16.7877","0.0018","17.1552","0.0019","112.706","0.002","98.107","0.002","93.65","0.002","4067","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C178 H160 Ag10 Cu2 F12 P8 -","- C178 H160 Ag10 Cu2 F12 P8 -","- C178 H160 Ag10 Cu2 F12 P8 -","1","0.5","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.118","0.1016","","","0.2574","0.2867","","","","","","1.083","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131020","13.1713","0.0013","15.8646","0.0015","17.2421","0.0017","101.523","0.002","111.227","0.002","90.437","0.002","3278.1","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H138 Ag10 Cu2 O2 P2 -","- C132 H138 Ag10 Cu2 O2 P2 -","- C132 H138 Ag10 Cu2 O2 P2 -","1","0.5","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.0748","0.0705","","","0.1908","0.2008","","","","","","1.072","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131021","19.3944","0.0014","19.4536","0.0013","29.451","0.002","78.671","0.001","71.197","0.002","75.615","0.001","10106.4","1.2","173","","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C416 H440 Ag20 Cu7 F18 O8 P15 -","- C416 H380 Ag20 Cu7 F18 O8 P15 -","- C416 H380 Ag20 Cu7 F18 O8 P15 -","1","0.5","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.1053","0.078","","","0.2047","0.239","","","","","","1.033","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131022","14.653","0.002","12.2834","0.0016","14.7811","0.0019","90","","99.5679","0.0019","90","","2623.4","0.6","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H45 Bi Si2 -","- C23 H45 Bi Si2 -","- C92 H180 Bi4 Si8 -","4","1","","Ishii, Takuya; Suzuki, Katsunori; Nakamura, Taichi; Yamashita, Makoto","An Isolable Bismabenzene: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2016","138","39","12787","12790","10.1021/jacs.6b08714","","","0.71075","MoKα","","0.0391","0.0303","","","0.069","0.0716","","","","","","1.035","","","","has coordinates","241332","2020-10-21","18:00:00",""
"4131023","12.556","0.007","26.674","0.015","8.038","0.004","90","","90","","90","","2692","3","93","2","93","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H46 Bi Cl Si2 -","- C23 H46 Bi Cl Si2 -","- C92 H184 Bi4 Cl4 Si8 -","4","0.5","","Ishii, Takuya; Suzuki, Katsunori; Nakamura, Taichi; Yamashita, Makoto","An Isolable Bismabenzene: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2016","138","39","12787","12790","10.1021/jacs.6b08714","","","0.71075","MoKα","","0.0467","0.0385","","","0.0868","0.0911","","","","","","1.099","","","","has coordinates","241332","2020-10-21","18:00:00",""
"4131024","8.0332","0.0012","16.222","0.002","25.418","0.004","90","","95.791","0.002","90","","3295.4","0.8","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H51 Bi O4 Si2 -","- C29 H51 Bi O4 Si2 -","- C116 H204 Bi4 O16 Si8 -","4","1","","Ishii, Takuya; Suzuki, Katsunori; Nakamura, Taichi; Yamashita, Makoto","An Isolable Bismabenzene: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2016","138","39","12787","12790","10.1021/jacs.6b08714","","","0.71075","MoKα","","0.0694","0.0571","","","0.1971","0.2032","","","","","","1.101","","","","has coordinates","241332","2020-10-21","18:00:00",""
"4131025","32.1397","0.0007","32.1397","0.0007","16.6976","0.0004","90","","90","","120","","14937.2","0.6","296","2","296","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co9 N12 O35 -","- C144 H72 Co9 N12 O35 -","- C144 H72 Co9 N12 O35 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.0909","0.0708","","","0.2053","0.2271","","","","","","1.063","","","","has coordinates","241333","2020-10-21","18:00:00",""
"4131026","31.963","0.003","31.963","0.003","16.7135","0.0016","90","","90","","120","","14787","2","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co4.8 N12 Ni4.2 O35 -","- C144 H72 Co4.8 N12 Ni4.2 O35 -","- C144 H72 Co4.8 N12 Ni4.2 O35 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.1686","0.1526","","","0.4214","0.4375","","","","","","1.899","","","","has coordinates","241334","2020-10-21","18:00:00",""
"4131027","31.7402","0.0014","31.7402","0.0014","16.7689","0.0009","90","","90","","120","","14630.3","1.2","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 N12 Ni6 O35 -","- C144 H72 Co3 N12 Ni6 O35 -","- C144 H72 Co3 N12 Ni6 O35 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.0902","0.072","","","0.2042","0.2255","","","","","","1.075","","","","has coordinates","241335","2020-10-21","18:00:00",""
"4131028","32.032","0.002","32.032","0.002","16.7024","0.0012","90","","90","","120","","14841.5","1.7","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 Mg6 N12 O35 -","- C144 H72 Co3 Mg6 N12 O35 -","- C144 H72 Co3 Mg6 N12 O35 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.1316","0.1053","","","0.3135","0.3337","","","","","","1.279","","","","has coordinates","241336","2020-10-21","18:00:00",""
"4131029","31.4689","0.001","31.4689","0.001","16.8714","0.0006","90","","90","","120","","14469.2","0.8","296","2","296","2","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 Fe3 N12 Ni3 O35 -","- C144 H72 Co3 Fe3 N12 Ni3 O35 -","- C144 H72 Co3 Fe3 N12 Ni3 O35 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.2209","0.1806","","","0.4663","0.4931","","","","","","2.021","","","","has coordinates","241337","2020-10-21","18:00:00",""
"4131030","32.032","0.002","32.032","0.002","16.7024","0.0012","90","","90","","120","","14841.5","1.7","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 Mg6 N12 O36.54 -","- C144 H72 Co3 Mg6 N12 O36.64 -","- C144 H72 Co3 Mg6 N12 O36.64 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.2098","0.1764","","","0.4143","0.4377","","","","","","1.718","","","","has coordinates","241338","2020-10-21","18:00:00",""
"4131031","31.35","0.002","31.35","0.002","16.9103","0.0011","90","","90","","120","","14393.2","1.6","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 Fe6 N12 O37 -","- C144 H72 Co3 Fe6 N12 O37 -","- C144 H72 Co3 Fe6 N12 O37 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.2269","0.1848","","","0.4234","0.4482","","","","","","1.708","","","","has coordinates","241339","2020-10-21","18:00:00",""
"4131032","31.35","0.002","31.35","0.002","16.9103","0.0011","90","","90","","120","","14393.2","1.6","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 Fe6 N12 O35 -","- C144 H72 Co3 Fe6 N12 O35 -","- C144 H72 Co3 Fe6 N12 O35 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.1055","0.078","","","0.2345","0.2623","","","","","","0.997","","","","has coordinates","241340","2020-10-21","18:00:00",""
"4131033","31.848","0.008","31.848","0.008","16.883","0.005","90","","90","","120","","14830","7","293","2","293","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C72 H39 Mg3 N6 O16 -","- C72 H39 Mg3 N6 O16 -","- C144 H78 Mg6 N12 O32 -","2","0.0833333","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","0.71073","synchrotron","","0.1427","0.1214","","","0.3293","0.3516","","","","","","1.327","","","","has coordinates","241341","2020-10-21","18:00:00",""
"4131034","31.848","0.008","31.848","0.008","16.883","0.005","90","","90","","120","","14830","7","","","","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C72 H39 Mg3 N6 O17.83 -","- C72 H39 Mg3 N6 O17.84 -","- C144 H78 Mg6 N12 O35.68 -","2","0.0833333","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","","","","0.229","","","","","","","","","","","","","","","has coordinates","241342","2020-10-21","18:00:00",""
"4131035","32.1397","0.0007","32.1397","0.0007","16.6976","0.0004","90","","90","","120","","14937.2","0.6","296","2","296","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co9 N12 O36.56 -","- C144 H72 Co9 N12 O36.56 -","- C144 H72 Co9 N12 O36.56 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.1808","0.153","","","0.3758","0.4072","","","","","","1.681","","","","has coordinates","241343","2020-10-21","18:00:00",""
"4131036","32.4771","0.0003","32.4771","0.0003","16.7559","0.0002","90","","90","","120","","15305.7","0.3","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 Mn6 N12 O39.45 -","- C144 H72 Co3 Mn6 N12 O39.48 -","- C144 H72 Co3 Mn6 N12 O39.48 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.1731","0.1458","","","0.3581","0.3899","","","","","","1.568","","","","has coordinates","241344","2020-10-21","18:00:00",""
"4131037","31.7402","0.0014","31.7402","0.0014","16.7689","0.0009","90","","90","","120","","14630.3","1.2","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 N12 Ni6 O38.35 -","- C144 H72 Co3 N12 Ni6 O38.36 -","- C144 H72 Co3 N12 Ni6 O38.36 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.1849","0.1586","","","0.3819","0.4138","","","","","","1.679","","","","has coordinates","241345","2020-10-21","18:00:00",""
"4131038","32.4771","0.0003","32.4771","0.0003","16.7559","0.0002","90","","90","","120","","15305.7","0.3","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 Mn6 N12 O38 -","- C144 H72 Co3 Mn6 N12 O38 -","- C144 H72 Co3 Mn6 N12 O38 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.1204","0.0954","","","0.2985","0.3245","","","","","","1.286","","","","has coordinates","241346","2020-10-21","18:00:00",""
"4131039","5.78299","0.00006","12.5407","0.00014","17.36504","0.00015","90","","90","","90","","1259.36","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","","Cai, Aijie; Guo, Wusheng; Martínez-Rodríguez, Luis; Kleij, Arjan W.","Palladium-Catalyzed Regio- and Enantioselective Synthesis of Allylic Amines Featuring Tetrasubstituted Tertiary Carbons.","Journal of the American Chemical Society","2016","138","43","14194","14197","10.1021/jacs.6b08841","","","0.7107","MoKα","","0.0278","0.026","","","0.0787","0.0796","","","","","","1.109","","","","has coordinates,has disorder","241347","2020-10-21","18:00:00",""
"4131040","13.1532","0.0007","22.9508","0.0013","7.4256","0.0004","90","","102.08","0.002","90","","2192","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N3 O5 Pd -","- C25 H23 N3 O5 Pd -","- C100 H92 N12 O20 Pd4 -","4","1","","Yang, Kin S.; Gurak, Jr, John A; Liu, Zhen; Engle, Keary M.","Catalytic, Regioselective Hydrocarbofunctionalization of Unactivated Alkenes with Diverse C-H Nucleophiles.","Journal of the American Chemical Society","2016","138","44","14705","14712","10.1021/jacs.6b08850","","x-ray","0.71073","MoKα","","0.045","0.0439","","","0.1009","0.1013","","","","","","1.419","","","","has coordinates,has disorder","241348","2020-10-21","18:00:00",""
"4131041","13.718","0.003","5.1398","0.0011","24.816","0.005","90","","102.657","0.006","90","","1707.2","0.6","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H18 N2 O3 Pd -","- C21 H18 N2 O3 Pd -","- C84 H72 N8 O12 Pd4 -","4","1","","Yang, Kin S.; Gurak, Jr, John A; Liu, Zhen; Engle, Keary M.","Catalytic, Regioselective Hydrocarbofunctionalization of Unactivated Alkenes with Diverse C-H Nucleophiles.","Journal of the American Chemical Society","2016","138","44","14705","14712","10.1021/jacs.6b08850","","x-ray","0.71073","MoKα","","0.0209","0.0201","","","0.0455","0.0459","","","","","","1.088","","","","has coordinates,has disorder","241349","2020-10-21","18:00:00",""
"4131042","13.9598","0.0008","14.3552","0.0008","9.938","0.0004","90","","90.919","0.002","90","","1991.28","0.18","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O3 -","- C23 H26 N2 O3 -","- C92 H104 N8 O12 -","4","1","","Yang, Kin S.; Gurak, Jr, John A; Liu, Zhen; Engle, Keary M.","Catalytic, Regioselective Hydrocarbofunctionalization of Unactivated Alkenes with Diverse C-H Nucleophiles.","Journal of the American Chemical Society","2016","138","44","14705","14712","10.1021/jacs.6b08850","","x-ray","0.71073","MoKα","","0.0712","0.0469","","","0.1048","0.1186","","","","","","1.019","","","","has coordinates","241350","2020-10-21","18:00:00",""
"4131043","13.7635","0.0004","6.7495","0.0002","24.5387","0.0007","90","","99.39","0.001","90","","2249.02","0.11","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O4 -","- C25 H22 N2 O4 -","- C100 H88 N8 O16 -","4","1","","Yang, Kin S.; Gurak, Jr, John A; Liu, Zhen; Engle, Keary M.","Catalytic, Regioselective Hydrocarbofunctionalization of Unactivated Alkenes with Diverse C-H Nucleophiles.","Journal of the American Chemical Society","2016","138","44","14705","14712","10.1021/jacs.6b08850","","x-ray","1.54178","CuKα","","0.0686","0.0654","","","0.1623","0.1645","","","","","","1.092","","","","has coordinates,has disorder","241351","2020-10-21","18:00:00",""
"4131044","16.096","0.003","8.1863","0.0017","17.391","0.004","90","","115.597","0.003","90","","2066.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(diphenylphosphaneyl)-N-(2-formylphenyl)benzamide","","- C26 H20 N O2 P -","- C26 H20 N O2 P -","- C104 H80 N4 O8 P4 -","4","1","","De Los Santos, Zeus A.; Wolf, Christian","Chiroptical Asymmetric Reaction Screening via Multicomponent Self-Assembly.","Journal of the American Chemical Society","2016","138","41","13517","13520","10.1021/jacs.6b08892","","x-ray","0.71073","MoKα","","0.0381","0.0353","","","0.0913","0.0929","","","","","","1.033","","","","has coordinates","241352","2020-10-21","18:00:00",""
"4131045","15.7448","0.0005","16.7714","0.0005","17.6503","0.0005","90","","93.892","0.001","90","","4650","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jl072","","","- C56 H53 Fe Ni O P2 -","- C56 H53 Fe Ni O P2 -","- C224 H212 Fe4 Ni4 O4 P8 -","4","1","","Staudaher, Nicholas D.; Arif, Atta M.; Louie, Janis","Synergy between Experimental and Computational Chemistry Reveals the Mechanism of Decomposition of Nickel-Ketene Complexes.","Journal of the American Chemical Society","2016","138","42","14083","14091","10.1021/jacs.6b08897","","","0.71073","MoKα","","0.0495","0.037","","","0.0938","0.1022","","","","","","1.038","","","","has coordinates","241353","2020-10-21","18:00:00",""
"4131046","10.8021","0.0007","19.9889","0.0013","18.0037","0.0013","90","","107.071","0.004","90","","3716.1","0.4","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jl076","","","- C46 H42 Fe Ni O P2 -","- C46 H42 Fe Ni O P2 -","- C184 H168 Fe4 Ni4 O4 P8 -","4","1","","Staudaher, Nicholas D.; Arif, Atta M.; Louie, Janis","Synergy between Experimental and Computational Chemistry Reveals the Mechanism of Decomposition of Nickel-Ketene Complexes.","Journal of the American Chemical Society","2016","138","42","14083","14091","10.1021/jacs.6b08897","","","0.71073","MoKα","","0.0419","0.0308","","","0.077","0.0811","","","","","","1.065","","","","has coordinates","241354","2020-10-21","18:00:00",""
"4131047","10.9483","0.0001","19.3974","0.0002","18.579","0.0003","90","","106.706","0.0007","90","","3779.07","0.08","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 Fe Ni O P2 -","- C48 H38 Fe Ni O P2 -","- C192 H152 Fe4 Ni4 O4 P8 -","4","1","","Staudaher, Nicholas D.; Arif, Atta M.; Louie, Janis","Synergy between Experimental and Computational Chemistry Reveals the Mechanism of Decomposition of Nickel-Ketene Complexes.","Journal of the American Chemical Society","2016","138","42","14083","14091","10.1021/jacs.6b08897","","","0.71073","MoKα","","0.0562","0.0347","","","0.0775","0.0847","","","","","","1.051","","","","has coordinates","241355","2020-10-21","18:00:00",""
"4131048","12.9031","0.0005","23.5457","0.0009","14.1418","0.0004","90","","99.891","0.002","90","","4232.6","0.3","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","'This is a disordered structure with high R-factor' 'due to an imposed 2-fold symmetry along Fe-Ni line'","","- C46 H42 Fe Ni O P2 -","- C46 H42 Fe Ni O P2 -","- C184 H168 Fe4 Ni4 O4 P8 -","4","0.5","","Staudaher, Nicholas D.; Arif, Atta M.; Louie, Janis","Synergy between Experimental and Computational Chemistry Reveals the Mechanism of Decomposition of Nickel-Ketene Complexes.","Journal of the American Chemical Society","2016","138","42","14083","14091","10.1021/jacs.6b08897","","","0.71069","MoKα","","0.1064","0.085","","","0.2244","0.235","","","","","","1.171","","","","has coordinates,has disorder","241356","2020-10-21","18:00:00",""
"4131049","10.8518","0.0003","20.0649","0.0006","18.0547","0.0005","90","","107.142","0.001","90","","3756.6","0.19","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","jl074","","","- C46 H41 F Fe Ni O P2 -","- C46 H41 F Fe Ni O P2 -","- C184 H164 F4 Fe4 Ni4 O4 P8 -","4","1","","Staudaher, Nicholas D.; Arif, Atta M.; Louie, Janis","Synergy between Experimental and Computational Chemistry Reveals the Mechanism of Decomposition of Nickel-Ketene Complexes.","Journal of the American Chemical Society","2016","138","42","14083","14091","10.1021/jacs.6b08897","","","0.71073","MoKα","","0.0403","0.0302","","","0.0738","0.0785","","","","","","1.054","","","","has coordinates","241357","2020-10-21","18:00:00",""
"4131050","10.8641","0.0004","19.3805","0.0006","18.5952","0.0006","90","","106.661","0.002","90","","3750.9","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jl071","","","- C46 H42 Fe Ni O P2 -","- C46 H42 Fe Ni O P2 -","- C184 H168 Fe4 Ni4 O4 P8 -","4","1","","Staudaher, Nicholas D.; Arif, Atta M.; Louie, Janis","Synergy between Experimental and Computational Chemistry Reveals the Mechanism of Decomposition of Nickel-Ketene Complexes.","Journal of the American Chemical Society","2016","138","42","14083","14091","10.1021/jacs.6b08897","","","0.71073","MoKα","","0.0484","0.0338","","","0.081","0.0871","","","","","","1.031","","","","has coordinates,has disorder","241358","2020-10-21","18:00:00",""
"4131051","21.2078","0.0016","5.8592","0.0004","18.1652","0.0013","90","","100.455","0.002","90","","2219.7","0.3","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 N O S -","- C29 H23 N O S -","- C116 H92 N4 O4 S4 -","4","1","","Le, Christine M.; Sperger, Theresa; Fu, Rui; Hou, Xiao; Lim, Yong Hwan; Schoenebeck, Franziska; Lautens, Mark","Stereoselective Synthesis of Methylene Oxindoles via Palladium(II)-Catalyzed Intramolecular Cross-Coupling of Carbamoyl Chlorides.","Journal of the American Chemical Society","2016","138","43","14441","14448","10.1021/jacs.6b08925","","","0.71073","MoKα","","0.0545","0.0393","","","0.0904","0.098","","","","","","1.05","","","","has coordinates","241359","2020-10-21","18:00:00",""
"4131052","9.412","0.0007","10.3695","0.0008","17.6799","0.0011","90","","98.188","0.005","90","","1707.9","0.2","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cl F N O -","- C22 H15 Cl F N O -","- C88 H60 Cl4 F4 N4 O4 -","4","1","","Le, Christine M.; Sperger, Theresa; Fu, Rui; Hou, Xiao; Lim, Yong Hwan; Schoenebeck, Franziska; Lautens, Mark","Stereoselective Synthesis of Methylene Oxindoles via Palladium(II)-Catalyzed Intramolecular Cross-Coupling of Carbamoyl Chlorides.","Journal of the American Chemical Society","2016","138","43","14441","14448","10.1021/jacs.6b08925","","","1.54178","CuKα","","0.0546","0.0407","","","0.1032","0.1137","","","","","","1.011","","","","has coordinates","241360","2020-10-21","18:00:00",""
"4131053","12.0485","0.0003","19.1202","0.0005","5.4934","0.0001","90","","90","","90","","1265.51","0.05","147","2","147","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Le, Christine M.; Sperger, Theresa; Fu, Rui; Hou, Xiao; Lim, Yong Hwan; Schoenebeck, Franziska; Lautens, Mark","Stereoselective Synthesis of Methylene Oxindoles via Palladium(II)-Catalyzed Intramolecular Cross-Coupling of Carbamoyl Chlorides.","Journal of the American Chemical Society","2016","138","43","14441","14448","10.1021/jacs.6b08925","","","1.54178","CuKα","","0.0216","0.0213","","","0.0553","0.0555","","","","","","1.098","","","","has coordinates","241361","2020-10-21","18:00:00",""
"4131054","20.878","0.003","11.7961","0.0013","21.677","0.003","90","","110.666","0.005","90","","4995.1","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H65 N5 O4 -","- C58 H65 N5 O4 -","- C232 H260 N20 O16 -","4","1","","Lewis, James E. M.; Winn, Joby; Cera, Luca; Goldup, Stephen M.","Iterative Synthesis of Oligo[n]rotaxanes in Excellent Yield.","Journal of the American Chemical Society","2016","138","50","16329","16336","10.1021/jacs.6b08958","","","1.54178","CuKα","","0.1121","0.0542","","","0.1239","0.1484","","","","","","0.981","","","","has coordinates,has disorder","241362","2020-10-21","18:00:00",""
"4131055","21.3026","0.0018","12.766","0.0009","19.7821","0.001","90","","104.617","0.007","90","","5205.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H69 N5 O2 -","- C60 H69 N5 O2 -","- C240 H276 N20 O8 -","4","1","","Lewis, James E. M.; Winn, Joby; Cera, Luca; Goldup, Stephen M.","Iterative Synthesis of Oligo[n]rotaxanes in Excellent Yield.","Journal of the American Chemical Society","2016","138","50","16329","16336","10.1021/jacs.6b08958","","","1.54184","CuKα","","0.1702","0.1243","","","0.3919","0.4787","","","","","","1.779","","","","has coordinates,has disorder","241363","2020-10-21","18:00:00",""
"4131056","46.195","0.001","48.069","0.001","25.6424","0.0008","90","","90","","90","","56940","2","100","0.1","100","0.1","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C472 H466 Ag67 B3 P8 S32 -","- C448 H446 Ag67 B2 P8 S32 -","- C1792 H1784 Ag268 B8 P32 S128 -","4","0.5","","Alhilaly, Mohammad J.; Bootharaju, Megalamane S.; Joshi, Chakra P.; Besong, Tabot M.; Emwas, Abdul-Hamid; Juarez-Mosqueda, Rosalba; Kaappa, Sami; Malola, Sami; Adil, Karim; Shkurenko, Aleksander; Häkkinen, Hannu; Eddaoudi, Mohamed; Bakr, Osman M.","[Ag<sub>67</sub>(SPhMe<sub>2</sub>)<sub>32</sub>(PPh<sub>3</sub>)<sub>8</sub>]<sup>3+</sup>: Synthesis, Total Structure, and Optical Properties of a Large Box-Shaped Silver Nanocluster.","Journal of the American Chemical Society","2016","138","44","14727","14732","10.1021/jacs.6b09007","","","1.54178","CuKα","","0.0608","0.0544","","","0.1443","0.1518","","","","","","1.066","","","","has coordinates","241364","2020-10-21","18:00:00",""
"4131057","19.791","0.002","15.4136","0.0013","19.804","0.0019","90","","99.842","0.01","90","","5952.3","1","140","0.1","140","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H82 N8 O -","- C66 H82 N8 O -","- C264 H328 N32 O4 -","4","1","","Eymann, Léonard Y M; Tskhovrebov, Alexander G.; Sienkiewicz, Andrzej; Bila, José L; Živković, Ivica; Rønnow, Henrik M; Wodrich, Matthew D.; Vannay, Laurent; Corminboeuf, Clémence; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Neutral Aminyl Radicals Derived from Azoimidazolium Dyes.","Journal of the American Chemical Society","2016","138","46","15126","15129","10.1021/jacs.6b09124","","x-ray","1.54184","CuKα","","0.1494","0.0756","","","0.1915","0.2383","","","","","","0.981","","","","has coordinates","241365","2020-10-21","18:00:00",""
"4131058","24.935","0.0019","11.6577","0.0005","34.387","0.003","90","","98.459","0.008","90","","9887","1.2","140.01","0.11","140.01","0.11","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C110 H112 B2 N8 -","- C110 H112 B2 N8 -","- C440 H448 B8 N32 -","4","0.5","","Eymann, Léonard Y M; Tskhovrebov, Alexander G.; Sienkiewicz, Andrzej; Bila, José L; Živković, Ivica; Rønnow, Henrik M; Wodrich, Matthew D.; Vannay, Laurent; Corminboeuf, Clémence; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Neutral Aminyl Radicals Derived from Azoimidazolium Dyes.","Journal of the American Chemical Society","2016","138","46","15126","15129","10.1021/jacs.6b09124","","x-ray","1.54184","CuKα","","0.1783","0.0905","","","0.2568","0.3336","","","","","","1.026","","","","has coordinates,has disorder","241366","2020-10-21","18:00:00",""
"4131059","9.6841","0.0019","15.453","0.002","15.8836","0.0017","77.416","0.012","84.584","0.01","80.701","0.014","2285","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H29 N4 -","- C27 H29 N4 -","- C108 H116 N16 -","4","2","","Eymann, Léonard Y M; Tskhovrebov, Alexander G.; Sienkiewicz, Andrzej; Bila, José L; Živković, Ivica; Rønnow, Henrik M; Wodrich, Matthew D.; Vannay, Laurent; Corminboeuf, Clémence; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Neutral Aminyl Radicals Derived from Azoimidazolium Dyes.","Journal of the American Chemical Society","2016","138","46","15126","15129","10.1021/jacs.6b09124","","","0.71073","MoKα","","0.1295","0.0674","","","0.1248","0.1545","","","","","","1.079","","","","has coordinates","241367","2020-10-21","18:00:00",""
"4131060","14.7646","0.0004","14.5195","0.0003","25.3268","0.0004","90","","90.462","0.002","90","","5429.2","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H29 B F4 N4 -","- C27 H29 B F4 N4 -","- C216 H232 B8 F32 N32 -","8","1","","Eymann, Léonard Y M; Tskhovrebov, Alexander G.; Sienkiewicz, Andrzej; Bila, José L; Živković, Ivica; Rønnow, Henrik M; Wodrich, Matthew D.; Vannay, Laurent; Corminboeuf, Clémence; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Neutral Aminyl Radicals Derived from Azoimidazolium Dyes.","Journal of the American Chemical Society","2016","138","46","15126","15129","10.1021/jacs.6b09124","","","0.715","synchrotron","","0.0605","0.0594","","","0.1493","0.1499","","","","","","1.149","","","","has coordinates","241368","2020-10-21","18:00:00",""
"4131061","20.761","0.004","14.769","0.003","21.005","0.004","90","","93.28","0.03","90","","6430","2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H37 N4 -","- C31 H37 N4 -","- C248 H296 N32 -","8","1","","Eymann, Léonard Y M; Tskhovrebov, Alexander G.; Sienkiewicz, Andrzej; Bila, José L; Živković, Ivica; Rønnow, Henrik M; Wodrich, Matthew D.; Vannay, Laurent; Corminboeuf, Clémence; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Neutral Aminyl Radicals Derived from Azoimidazolium Dyes.","Journal of the American Chemical Society","2016","138","46","15126","15129","10.1021/jacs.6b09124","","","0.71073","MoKα","","0.1134","0.0736","","","0.1959","0.2202","","","","","","1.107","","","","has coordinates","241369","2020-10-21","18:00:00",""
"4131062","7.5879","0.0002","8.258","0.0003","30.4025","0.0009","86.541","0.003","88.545","0.002","85.128","0.003","1894.31","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H38 Cl2 N6 Pd2 S -","- C39 H38 Cl2 N6 Pd2 S -","- C78 H76 Cl4 N12 Pd4 S2 -","2","1","","Mikherdov, Alexander S.; Kinzhalov, Mikhail A.; Novikov, Alexander S.; Boyarskiy, Vadim P.; Boyarskaya, Irina A.; Dar'in, Dmitry V.; Starova, Galina L.; Kukushkin, Vadim Yu","Difference in Energy between Two Distinct Types of Chalcogen Bonds Drives Regioisomerization of Binuclear (Diaminocarbene)Pd<sup>II</sup> Complexes.","Journal of the American Chemical Society","2016","138","42","14129","14137","10.1021/jacs.6b09133","","","1.5418","CuKα","","0.0724","0.0601","","","0.1448","0.1517","","","","","","1.108","","","","has coordinates","241370","2020-10-21","18:00:00",""
"4131063","7.63334","0.00015","8.1545","0.0002","30.237","0.0006","86.418","0.0018","87.4633","0.0016","84.4809","0.0019","1868.36","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H37 Cl2 N7 Pd2 S -","- C38 H37 Cl2 N7 Pd2 S -","- C76 H74 Cl4 N14 Pd4 S2 -","2","1","","Mikherdov, Alexander S.; Kinzhalov, Mikhail A.; Novikov, Alexander S.; Boyarskiy, Vadim P.; Boyarskaya, Irina A.; Dar'in, Dmitry V.; Starova, Galina L.; Kukushkin, Vadim Yu","Difference in Energy between Two Distinct Types of Chalcogen Bonds Drives Regioisomerization of Binuclear (Diaminocarbene)Pd<sup>II</sup> Complexes.","Journal of the American Chemical Society","2016","138","42","14129","14137","10.1021/jacs.6b09133","","","0.71073","MoKα","","0.0358","0.0313","","","0.0751","0.0773","","","","","","1.065","","","","has coordinates","241370","2020-10-21","18:00:00",""
"4131064","13.7979","0.0006","20.6001","0.001","15.3163","0.0007","90","","93.916","0.004","90","","4343.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H82 Cl4 N14 O Pd4 S2 -","- C90 H82 Cl4 N14 O Pd4 S2 -","- C180 H164 Cl8 N28 O2 Pd8 S4 -","2","0.5","","Mikherdov, Alexander S.; Kinzhalov, Mikhail A.; Novikov, Alexander S.; Boyarskiy, Vadim P.; Boyarskaya, Irina A.; Dar'in, Dmitry V.; Starova, Galina L.; Kukushkin, Vadim Yu","Difference in Energy between Two Distinct Types of Chalcogen Bonds Drives Regioisomerization of Binuclear (Diaminocarbene)Pd<sup>II</sup> Complexes.","Journal of the American Chemical Society","2016","138","42","14129","14137","10.1021/jacs.6b09133","","","0.7107","MoKα","","0.0403","0.0328","","","0.0822","0.0876","","","","","","1.074","","","","has coordinates","241370","2020-10-21","18:00:00",""
"4131065","8.07769","0.00012","19.4303","0.0003","27.7228","0.0005","90","","90.7589","0.0014","90","","4350.77","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H48 Cl2 N6 O Pd2 S -","- C43 H48 Cl2 N6 O Pd2 S -","- C172 H192 Cl8 N24 O4 Pd8 S4 -","4","1","","Mikherdov, Alexander S.; Kinzhalov, Mikhail A.; Novikov, Alexander S.; Boyarskiy, Vadim P.; Boyarskaya, Irina A.; Dar'in, Dmitry V.; Starova, Galina L.; Kukushkin, Vadim Yu","Difference in Energy between Two Distinct Types of Chalcogen Bonds Drives Regioisomerization of Binuclear (Diaminocarbene)Pd<sup>II</sup> Complexes.","Journal of the American Chemical Society","2016","138","42","14129","14137","10.1021/jacs.6b09133","","","1.5418","CuKα","","0.0453","0.0391","","","0.1017","0.1061","","","","","","1.027","","","","has coordinates,has disorder","241370","2020-10-21","18:00:00",""
"4131066","8.1558","0.0003","18.5007","0.0009","27.9197","0.0011","90","","94.573","0.004","90","","4199.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H38 Cl5 N7 Pd2 S -","- C39 H38 Cl5 N7 Pd2 S -","- C156 H152 Cl20 N28 Pd8 S4 -","4","1","","Mikherdov, Alexander S.; Kinzhalov, Mikhail A.; Novikov, Alexander S.; Boyarskiy, Vadim P.; Boyarskaya, Irina A.; Dar'in, Dmitry V.; Starova, Galina L.; Kukushkin, Vadim Yu","Difference in Energy between Two Distinct Types of Chalcogen Bonds Drives Regioisomerization of Binuclear (Diaminocarbene)Pd<sup>II</sup> Complexes.","Journal of the American Chemical Society","2016","138","42","14129","14137","10.1021/jacs.6b09133","","","0.71073","MoKα","","0.0452","0.0329","","","0.0656","0.0717","","","","","","1.075","","","","has coordinates","241370","2020-10-21","18:00:00",""
"4131067","8.09548","0.00014","19.5379","0.0003","27.0319","0.0004","90","","90","","90","","4275.6","0.12","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H41 Cl4 N7 Pd2 S -","- C40 H41 Cl4 N7 Pd2 S -","- C160 H164 Cl16 N28 Pd8 S4 -","4","1","","Mikherdov, Alexander S.; Kinzhalov, Mikhail A.; Novikov, Alexander S.; Boyarskiy, Vadim P.; Boyarskaya, Irina A.; Dar'in, Dmitry V.; Starova, Galina L.; Kukushkin, Vadim Yu","Difference in Energy between Two Distinct Types of Chalcogen Bonds Drives Regioisomerization of Binuclear (Diaminocarbene)Pd<sup>II</sup> Complexes.","Journal of the American Chemical Society","2016","138","42","14129","14137","10.1021/jacs.6b09133","","","0.71073","MoKα","","0.03","0.0282","","","0.0719","0.073","","","","","","1.077","","","","has coordinates","241370","2020-10-21","18:00:00",""
"4131068","13.2909","0.0005","13.2909","0.0005","14.356","0.0006","90","","90","","90","","2535.96","0.17","298","2","298","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C12 H4 Co D4 N4 -","- C12 H4 Co D4 N4 -","- C48 H16 Co4 D16 N16 -","4","0.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","","","0.7749","synchrotron","","0.03","0.027","","","0.085","0.0868","","","","","","1.149","","","","has coordinates","241371","2020-10-21","18:00:00",""
"4131069","13.2708","0.0004","13.2708","0.0004","14.3502","0.0005","90","","90","","90","","2527.27","0.14","298","2","298","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","Co(bdp)","","","- C12 H8 Co N4 -","- C12 H8 Co N4 -","- C48 H32 Co4 N16 -","4","0.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","","","0.7749","synchrotron","","0.0329","0.0279","","","0.081","0.0836","","","","","","1.128","","","","has coordinates","241372","2020-10-21","18:00:00",""
"4131070","13.31","0.0005","13.31","0.0005","13.9569","0.0006","90","","90","","90","","2472.55","0.17","100","2","100","","","","","","","","","5","P 43 2 2","P 4cw 2c","95","Co(F-bdp)","","","- C12 H7 Co F N4 -","- C12 H7 Co F N4 -","- C48 H28 Co4 F4 N16 -","4","0.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","","","0.7749","synchrotron","","0.0363","0.0297","","","0.0816","0.0844","","","","","","1.116","","","","has coordinates,has disorder","241373","2020-10-21","18:00:00",""
"4131071","20.9119","0.0096","16.5299","0.0052","6.9496","0.0012","90","","98.143","0.016","90","","2378.1","1.4","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Co(p-F2-bdp)","","","- C12 H6 Co F2 N4 -","- C12 H6 Co F2 N4 -","- C48 H24 Co4 F8 N16 -","4","0.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","","0.018","10.12","","","","","","","has coordinates","241374","2020-10-21","18:00:00",""
"4131072","13.2891","0.0005","13.2891","0.0005","43.2262","0.0019","90","","90","","90","","7633.8","0.5","298","2","298","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","Co(o-F2-bdp)","","","- C12 H6 Co F2 N4 -","- C12 H6 Co F2 N4 -","- C144 H72 Co12 F24 N48 -","12","1.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","","","0.8856","synchrotron","","0.0601","0.0492","","","0.1311","0.1409","","","","","","1.066","","","","has coordinates,has disorder","241375","2020-10-21","18:00:00",""
"4131073","24.687","0.009","6.6675","0.001","7.0913","0.0026","90","","92.409","0.047","90","","1166.2","0.6","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Co(d4-bdp)","","","- C12 H4 Co D4 N4 -","- C12 H4 Co D4 N4 -","- C48 H16 Co4 D16 N16 -","4","0.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","","0.063","9.93","","","","","","","has coordinates","241376","2020-10-21","18:00:00",""
"4131074","13.2715","0.0005","13.2715","0.0005","14.6258","0.0006","90","","90","","90","","2576.08","0.17","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","Co(p-F2-bdp)","","","- C12 H6 Co F2 N4 -","- C12 H6 Co F2 N4 -","- C48 H24 Co4 F8 N16 -","4","1","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","","","0.8856","synchrotron","","0.0393","0.0354","","","0.0909","0.0929","","","","","","1.072","","","","has coordinates","241377","2020-10-21","18:00:00",""
"4131075","24.6401","0.003","8.69621","0.0009","7.12945","0.00063","90","","90.081","0.013","90","","1527.7","0.3","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Co(Me2-bdp)","","","- C14 H12 Co N4 -","- C14 H12 Co N4 -","- C56 H48 Co4 N16 -","4","0.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","","0.042","7.003","","","","","","","has coordinates","241378","2020-10-21","18:00:00",""
"4131076","7.0279","0.0018","24.5205","0.0064","7.3196","0.0019","90","","111.936","0.017","90","","1170","0.5","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co(d4-bdp)","","","- C12 H6 Co F2 N4 -","- C12 H6 Co F2 N4 -","- C48 H24 Co4 F8 N16 -","4","1","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","","0.035","8.07","","","","","","","has coordinates","241379","2020-10-21","18:00:00",""
"4131077","16.9384","0.0006","16.7454","0.0006","21.4073","0.0008","90","","90.571","0.001","90","","6071.7","0.4","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 N4 O3 S -","- C37 H32 N4 O3 S -","- C296 H256 N32 O24 S8 -","8","2","","Liu, Zhen; Zeng, Tian; Yang, Kin S.; Engle, Keary M.","β,γ-Vicinal Dicarbofunctionalization of Alkenyl Carbonyl Compounds via Directed Nucleopalladation.","Journal of the American Chemical Society","2016","138","46","15122","15125","10.1021/jacs.6b09170","","x-ray","0.71073","MoKα","","0.0753","0.0513","","","0.1286","0.1452","","","","","","1.024","","","","has coordinates","241380","2020-10-21","18:00:00",""
"4131078","11.1383","0.0004","25.3721","0.0009","12.0025","0.0004","90","","116.124","0.002","90","","3045.42","0.19","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37.5 H34 Cl N3 O -","- C37.5 H34 Cl N3 O -","- C150 H136 Cl4 N12 O4 -","4","2","","Liu, Zhen; Zeng, Tian; Yang, Kin S.; Engle, Keary M.","β,γ-Vicinal Dicarbofunctionalization of Alkenyl Carbonyl Compounds via Directed Nucleopalladation.","Journal of the American Chemical Society","2016","138","46","15122","15125","10.1021/jacs.6b09170","","x-ray","1.54178","CuKα","","0.0672","0.0612","","","0.1661","0.1724","","","","","","1.075","","","","has coordinates,has disorder","241381","2020-10-21","18:00:00",""
"4131079","23.4967","0.0008","11.787","0.0004","18.4817","0.0006","90","","91.069","0.002","90","","5117.7","0.3","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C47 H52 Cl2 F12 N6 O2 S2 -","- C47 H52 Cl2 F12 N6 O2 S2 -","- C188 H208 Cl8 F48 N24 O8 S8 -","4","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0522","0.0481","","","0.126","0.1296","","","","","","1.027","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131080","12.3403","0.0017","12.3403","0.0017","31.681","0.004","90","","90","","120","","4178.1","1","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C26 H26 F9 N3 O S -","- C26 H26 F9 N3 O S -","- C156 H156 F54 N18 O6 S6 -","6","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0524","0.046","","","0.114","0.1196","","","","","","1.026","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131081","12.8221","0.0003","12.8221","0.0003","26.6228","0.0008","90","","90","","120","","3790.55","0.17","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C25 H25 F8 N3 O S -","- C25 H25 F8 N3 O S -","- C150 H150 F48 N18 O6 S6 -","6","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0335","0.0298","","","0.0738","0.0763","","","","","","1.039","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131082","11.8419","0.0003","11.8419","0.0003","31.7379","0.0009","90","","90","","120","","3854.35","0.18","100","2","100","2","","","","","","","","6","P 31","P 31","144","","","","- C48 H54 F12 N6 O2 S2 -","- C48 H54 F12 N6 O2 S2 -","- C144 H162 F36 N18 O6 S6 -","3","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0417","0.037","","","0.0898","0.0931","","","","","","1.029","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131083","12.1213","0.0003","12.1213","0.0003","27.5249","0.0007","90","","90","","120","","3502.31","0.15","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C23 H27 Cl2 N3 O S -","- C23 H27 Cl2 N3 O S -","- C138 H162 Cl12 N18 O6 S6 -","6","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.027","0.0249","","","0.0602","0.0614","","","","","","1.031","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131084","11.0829","0.0002","19.9964","0.0004","25.5461","0.0005","90","","90","","90","","5661.48","0.19","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H58 F12 N6 O2 S2 -","- C58 H58 F12 N6 O2 S2 -","- C232 H232 F48 N24 O8 S8 -","4","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.07","0.0645","","","0.1696","0.1756","","","","","","1.043","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131085","10.7752","0.0006","14.8782","0.0008","13.3651","0.0007","90","","95.51","0.003","90","","2132.7","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34.5 H43 Cl F12 N6 O2 S2 -","- C34.5 H43 Cl F12 N6 O2 S2 -","- C69 H86 Cl2 F24 N12 O4 S4 -","2","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0683","0.0564","","","0.1488","0.1595","","","","","","1.042","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131086","14.9664","0.0001","23.1875","0.0002","25.2512","0.0002","90","","97.29","","90","","8692.17","0.12","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C153 H144 F42 N18 O18 S6 -","- C153 H144 F42 N18 O18 S6 -","- C306 H288 F84 N36 O36 S12 -","2","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0828","0.0719","","","0.1651","0.172","","","","","","1.046","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131087","9.7864","0.0003","9.7864","0.0003","13.161","0.0005","90","","90","","90","","1260.48","0.07","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C11 H19 N O4 -","- C11 H19 N O4 -","- C44 H76 N4 O16 -","4","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0246","0.0242","","","0.0627","0.0631","","","","","","1.082","","","","has coordinates","241382","2020-10-21","18:00:00",""
"4131088","25.197","0.003","25.197","0.003","26.498","0.003","90","","90","","120","","14569","3","100","2","100","2","","","","","","","","7","P 32","P 32","145","","","","- C124 H132 Cl2 F28 N14 O12 S4 -","- C124 H132 Cl2 F28 N14 O12 S4 -","- C372 H396 Cl6 F84 N42 O36 S12 -","3","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.113","0.0871","","","0.2144","0.2267","","","","","","1.082","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131089","9.5124","0.0006","11.6095","0.0007","10.1757","0.0006","90","","97.068","0.004","90","","1115.21","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H33 F N2 O3 -","- C23 H33 F N2 O3 -","- C46 H66 F2 N4 O6 -","2","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0295","0.0279","","","0.0687","0.07","","","","","","1.043","","","","has coordinates","241382","2020-10-21","18:00:00",""
"4131090","10.8045","0.0015","14.937","0.002","13.3271","0.0018","90","","94.461","0.002","90","","2144.3","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H44 Cl2 F12 N6 O2 S2 -","- C35 H44 Cl2 F12 N6 O2 S2 -","- C70 H88 Cl4 F24 N12 O4 S4 -","2","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0597","0.0522","","","0.1458","0.1518","","","","","","1.054","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131091","7.4063","0.0002","20.7172","0.0005","24.9402","0.0006","90","","90","","90","","3826.77","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 F12 N6 O4 -","- C34 H42 F12 N6 O4 -","- C136 H168 F48 N24 O16 -","4","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0308","0.0299","","","0.0799","0.0808","","","","","","1.049","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131092","14.5322","0.0004","7.4157","0.0002","18.1873","0.0005","90","","102.484","0.002","90","","1913.64","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 F6 N3 O2 -","- C17 H21 F6 N3 O2 -","- C68 H84 F24 N12 O8 -","4","2","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0492","0.0468","","","0.1188","0.1207","","","","","","1.068","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4131093","14.3464","0.0002","14.3464","0.0002","28.5097","0.0004","90","","90","","120","","5081.7","0.12","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C64 H70 Cl F14 N7 O6 S2 -","- C64 H70 Cl F14 N7 O6 S2 -","- C192 H210 Cl3 F42 N21 O18 S6 -","3","0.5","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0331","0.0311","","","0.079","0.0806","","","","","","1.062","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131094","15.7617","0.0003","15.7617","0.0003","23.1201","0.0005","90","","90","","90","","5743.8","0.2","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C54 H66 Cl F12 N7 O2 S2 -","- C54 H66 Cl F12 N7 O2 S2 -","- C216 H264 Cl4 F48 N28 O8 S8 -","4","0.5","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0667","0.0571","","","0.1431","0.1531","","","","","","1.069","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131095","9.1227","0.0006","12.7639","0.0008","12.5204","0.0009","90","","93.258","0.006","90","","1455.53","0.17","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Cl6 N2 Sb -","- C24 H36 Cl6 N2 Sb -","- C48 H72 Cl12 N4 Sb2 -","2","0.5","","Wang, Denan; Talipov, Marat R.; Ivanov, Maxim V.; Rathore, Rajendra","Energy Gap between the Poly-p-phenylene Bridge and Donor Groups Controls the Hole Delocalization in Donor-Bridge-Donor Wires.","Journal of the American Chemical Society","2016","138","50","16337","16344","10.1021/jacs.6b09209","","x-ray","1.54184","CuKα","","0.0675","0.0555","","","0.141","0.1507","","","","","","1.025","","","","has coordinates","241383","2020-10-21","18:00:00",""
"4131096","17.7621","0.0003","22.2461","0.0004","27.0076","0.0004","66.1403","0.0016","79.782","0.0013","83.1039","0.0013","9591.1","0.3","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C24 H36 N2 -","- C24 H36 N2 -","- C432 H648 N36 -","18","9","","Wang, Denan; Talipov, Marat R.; Ivanov, Maxim V.; Rathore, Rajendra","Energy Gap between the Poly-p-phenylene Bridge and Donor Groups Controls the Hole Delocalization in Donor-Bridge-Donor Wires.","Journal of the American Chemical Society","2016","138","50","16337","16344","10.1021/jacs.6b09209","","x-ray","1.54184","CuKα","","0.1182","0.1082","","","0.3071","0.3323","","","","","","1.472","","","","has coordinates,has disorder","241384","2020-10-21","18:00:00",""
"4131097","9.989","0.0019","11.211","0.002","13.316","0.003","87.303","0.003","75.592","0.003","77.986","0.003","1412.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 N6 O2 S3 Zn -","- C27 H30 N6 O2 S3 Zn -","- C54 H60 N12 O4 S6 Zn2 -","2","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0716","0.0435","","","0.0957","0.1063","","","","","","1.058","","","","has coordinates","241385","2020-10-21","18:00:00",""
"4131098","9.4115","0.0006","13.1229","0.0009","14.5918","0.001","90","","98.222","0.001","90","","1783.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Br N6 S3 Zn -","- C13 H15 Br N6 S3 Zn -","- C52 H60 Br4 N24 S12 Zn4 -","4","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0484","0.0319","","","0.0755","0.0822","","","","","","1.019","","","","has coordinates","241386","2020-10-21","18:00:00",""
"4131099","9.616","0.005","11.126","0.005","13.498","0.006","95.167","0.007","106.067","0.007","97.479","0.007","1363.8","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H20 N6 S3 Se Zn -","- C19 H20 N6 S3 Se Zn -","- C38 H40 N12 S6 Se2 Zn2 -","2","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0788","0.0482","","","0.1333","0.1426","","","","","","1.058","","","","has coordinates","241387","2020-10-21","18:00:00",""
"4131100","11.307","0.004","13.657","0.004","13.962","0.004","68.636","0.004","69.584","0.005","70.758","0.005","1830.4","1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 N7 O S3 Zn -","- C14 H15 N7 O S3 Zn -","- C56 H60 N28 O4 S12 Zn4 -","4","2","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.1234","0.0513","","","0.0759","0.0933","","","","","","1.001","","","","has coordinates","241389","2020-10-21","18:00:00",""
"4131101","24.036","0.002","12.8658","0.0012","18.2274","0.0017","90","","129.726","0.0014","90","","4335.2","0.7","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 N6 O S3 Si Zn -","- C16 H24 N6 O S3 Si Zn -","- C128 H192 N48 O8 S24 Si8 Zn8 -","8","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.1017","0.0586","","","0.1351","0.1514","","","","","","1.046","","","","has coordinates","241390","2020-10-21","18:00:00",""
"4131102","13.576","0.004","8.775","0.002","18.498","0.005","90","","101.232","0.004","90","","2161.4","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N6 O S3 Zn -","- C19 H20 N6 O S3 Zn -","- C76 H80 N24 O4 S12 Zn4 -","4","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0538","0.0371","","","0.0966","0.1033","","","","","","1.216","","","","has coordinates","241391","2020-10-21","18:00:00",""
"4131103","9.429","0.002","11.149","0.003","13.582","0.003","95.951","0.004","106.456","0.004","96.721","0.004","1345.8","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N6 S4 Zn -","- C19 H20 N6 S4 Zn -","- C38 H40 N12 S8 Zn2 -","2","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0572","0.0382","","","0.0877","0.0935","","","","","","1.027","","","","has coordinates,has disorder","241392","2020-10-21","18:00:00",""
"4131104","10.137","0.002","11.868","0.003","18.978","0.004","90","","99.563","0.003","90","","2251.4","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N6 O S3 Zn -","- C20 H22 N6 O S3 Zn -","- C80 H88 N24 O4 S12 Zn4 -","4","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0643","0.0372","","","0.0894","0.1039","","","","","","0.938","","","","has coordinates","241393","2020-10-21","18:00:00",""
"4131105","12.867","0.003","13.368","0.003","14.404","0.004","79.32","0.004","69.456","0.004","75.417","0.004","2232.4","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 N7 O3 S3 Zn -","- C19 H19 N7 O3 S3 Zn -","- C76 H76 N28 O12 S12 Zn4 -","4","2","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.1282","0.0645","","","0.1239","0.1471","","","","","","1.029","","","","has coordinates","241394","2020-10-21","18:00:00",""
"4131106","9.603","0.002","12.978","0.003","14.646","0.004","90","","98.568","0.004","90","","1804.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 I N6 S3 Zn -","- C13 H15 I N6 S3 Zn -","- C52 H60 I4 N24 S12 Zn4 -","4","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.1506","0.0594","","","0.0797","0.0997","","","","","","1.011","","","","has coordinates","241395","2020-10-21","18:00:00",""
"4131107","12.8684","0.0012","13.0973","0.0012","15.5044","0.0014","72.506","0.001","85.102","0.001","62.559","0.001","2207.5","0.4","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C17.5 H19.5 Cl N6 S3 Zn -","- C17.5 H19.5 Cl N6 S3 Zn -","- C70 H78 Cl4 N24 S12 Zn4 -","4","2","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0915","0.0464","","","0.116","0.1356","","","","","","1.032","","","","has coordinates","241396","2020-10-21","18:00:00",""
"4131108","9.113","0.003","9.909","0.003","14.006","0.004","100.325","0.004","95.142","0.005","95.111","0.005","1232.1","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 N6 O2 S3 Zn -","- C23 H23 N6 O2 S3 Zn -","- C46 H46 N12 O4 S6 Zn2 -","2","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.1129","0.0638","","","0.1601","0.1872","","","","","","1.045","","","","has coordinates","241397","2020-10-21","18:00:00",""
"4131109","15.339","0.002","8.7461","0.0011","17.822","0.002","90","","103.034","0.002","90","","2329.3","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Br N6 O S3 Zn -","- C19 H19 Br N6 O S3 Zn -","- C76 H76 Br4 N24 O4 S12 Zn4 -","4","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.1109","0.0487","","","0.0973","0.1179","","","","","","1.045","","","","has coordinates","241398","2020-10-21","18:00:00",""
"4131110","11.669","0.0011","12.4246","0.0012","12.6995","0.0013","90","","100.342","0.001","90","","1811.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N6 S3 Zn -","- C14 H18 N6 S3 Zn -","- C56 H72 N24 S12 Zn4 -","4","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0548","0.0366","","","0.0855","0.0927","","","","","","1.175","","","","has coordinates","241399","2020-10-21","18:00:00",""
"4131111","14.933","0.002","10.2002","0.0016","15.577","0.003","90","","106.158","0.002","90","","2279","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N6 O2 S3 Zn -","- C20 H22 N6 O2 S3 Zn -","- C80 H88 N24 O8 S12 Zn4 -","4","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0688","0.0401","","","0.087","0.0986","","","","","","1.027","","","","has coordinates","241400","2020-10-21","18:00:00",""
"4131112","6.5319","0.0008","11.448","0.001","16.5428","0.0013","75.624","0.007","83.288","0.009","87.885","0.009","1190","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","13(H2O)2(Cl)2","","","- C25 H24 Cl2 N4 O2 -","- C25 H24 Cl2 N4 O2 -","- C50 H48 Cl4 N8 O4 -","2","1","","Kahlfuss, Christophe; Denis-Quanquin, Sandrine; Calin, Nathalie; Dumont, Elise; Garavelli, Marco; Royal, Guy; Cobo, Saioa; Saint-Aman, Eric; Bucher, Christophe","Electron-Triggered Metamorphism in Porphyrin-Based Self-Assembled Coordination Polymers.","Journal of the American Chemical Society","2016","138","46","15234","15242","10.1021/jacs.6b09311","","","1.54184","CuKα","","0.0954","0.0839","","","0.2112","0.2332","","","","","","1.046","","","","has coordinates","241401","2020-10-21","18:00:00",""
"4131113","6.2739","0.0002","14.8717","0.0004","12.5805","0.0004","90","","101.478","0.003","90","","1150.33","0.06","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","9","","","- C14 H11 N3 -","- C14 H11 N3 -","- C56 H44 N12 -","4","1","","Kahlfuss, Christophe; Denis-Quanquin, Sandrine; Calin, Nathalie; Dumont, Elise; Garavelli, Marco; Royal, Guy; Cobo, Saioa; Saint-Aman, Eric; Bucher, Christophe","Electron-Triggered Metamorphism in Porphyrin-Based Self-Assembled Coordination Polymers.","Journal of the American Chemical Society","2016","138","46","15234","15242","10.1021/jacs.6b09311","","","0.71073","MoKα","","0.0771","0.0525","","","0.1169","0.1292","","","","","","1.07","","","","has coordinates","241402","2020-10-21","18:00:00",""
"4131114","5.3148","0.0002","13.4163","0.0004","19.5434","0.0006","90","","94.984","0.003","90","","1388.27","0.08","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","8","","","- C13 H14 I N O2 -","- C13 H14 I N O2 -","- C52 H56 I4 N4 O8 -","4","1","","Kahlfuss, Christophe; Denis-Quanquin, Sandrine; Calin, Nathalie; Dumont, Elise; Garavelli, Marco; Royal, Guy; Cobo, Saioa; Saint-Aman, Eric; Bucher, Christophe","Electron-Triggered Metamorphism in Porphyrin-Based Self-Assembled Coordination Polymers.","Journal of the American Chemical Society","2016","138","46","15234","15242","10.1021/jacs.6b09311","","","0.71073","MoKα","","0.0409","0.0309","","","0.0616","0.0667","","","","","","1.039","","","","has coordinates","241403","2020-10-21","18:00:00",""
"4131115","25.379","0.0012","15.128","0.0007","19.87","0.001","90","","94.727","0.004","90","","7602.8","0.6","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12",";TbNC@C2v(9)-C82/Ni(OEP)/2benzene;","","","- C131 H56 N5 Ni Tb -","- C131 H56 N5 Ni Tb1.001 -","- C524 H224 N20 Ni4 Tb4.004 -","4","0.5","","Liu, Fupin; Gao, Cong-Li; Deng, Qingming; Zhu, Xianjun; Kostanyan, Aram; Westerström, Rasmus; Wang, Song; Tan, Yuan-Zhi; Tao, Jun; Xie, Su-Yuan; Popov, Alexey A.; Greber, Thomas; Yang, Shangfeng","Triangular Monometallic Cyanide Cluster Entrapped in Carbon Cage with Geometry-Dependent Molecular Magnetism.","Journal of the American Chemical Society","2016","138","44","14764","14771","10.1021/jacs.6b09329","","","1.54184","CuKα","","0.1928","0.1386","","","0.3759","0.4197","","","","","","1.575","","","","has coordinates,has disorder","241404","2020-10-21","18:00:00",""
"4131116","25.3335","0.0014","15.0135","0.0011","19.863","0.0013","90","","93.987","0.006","90","","7536.5","0.9","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12",";TbNC@Cs(6)-C82/Ni(OEP)/2benzene;","","","- C131 H56 N5 Ni Tb -","- C131 H56 N5 Ni Tb1.0017 -","- C524 H224 N20 Ni4 Tb4.0068 -","4","0.5","","Liu, Fupin; Gao, Cong-Li; Deng, Qingming; Zhu, Xianjun; Kostanyan, Aram; Westerström, Rasmus; Wang, Song; Tan, Yuan-Zhi; Tao, Jun; Xie, Su-Yuan; Popov, Alexey A.; Greber, Thomas; Yang, Shangfeng","Triangular Monometallic Cyanide Cluster Entrapped in Carbon Cage with Geometry-Dependent Molecular Magnetism.","Journal of the American Chemical Society","2016","138","44","14764","14771","10.1021/jacs.6b09329","","","1.54178","CuKα","","0.1473","0.101","","","0.2512","0.3004","","","","","","1.035","","","","has coordinates,has disorder","241405","2020-10-21","18:00:00",""
"4131117","8.3113","0.0003","11.2268","0.0005","9.8191","0.0004","90","","111.642","0.002","90","","851.63","0.06","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 O P -","- C18 H23 O P -","- C36 H46 O2 P2 -","2","1","","Beaud, Rodolphe; Phipps, Robert J.; Gaunt, Matthew J.","Enantioselective Cu-Catalyzed Arylation of Secondary Phosphine Oxides with Diaryliodonium Salts toward the Synthesis of P-Chiral Phosphines.","Journal of the American Chemical Society","2016","138","40","13183","13186","10.1021/jacs.6b09334","","","0.71073","MoKα","","0.0501","0.0406","","","0.0861","0.093","","","","","","1.061","","","","has coordinates","241406","2020-10-21","18:00:00",""
"4131118","13.9614","0.0004","15.5727","0.0005","18.4333","0.0006","79.5333","0.0016","74.5056","0.0016","82.7214","0.0017","3784.8","0.2","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C148 H148 Cl4 N14 -","- C148 H148 Cl4 N14 -","- C148 H148 Cl4 N14 -","1","0.5","","Benson, Christopher R.; Fatila, Elisabeth M.; Lee, Semin; Marzo, Matthew G.; Pink, Maren; Mills, Michelle B.; Preuss, Kathryn E.; Flood, Amar H.","Extreme Stabilization and Redox Switching of Organic Anions and Radical Anions by Large-Cavity, CH Hydrogen-Bonding Cyanostar Macrocycles.","Journal of the American Chemical Society","2016","138","45","15057","15065","10.1021/jacs.6b09459","","","0.71073","MoKα","","0.1776","0.1507","","","0.4617","0.4845","","","","","","2.069","","","","has coordinates,has disorder","241408","2020-10-21","18:00:00",""
"4131119","4.5174","0.0002","6.8284","0.0004","15.9328","0.0008","90","","92.4936","0.0017","90","","491.01","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 F O3 -","- C11 H11 F O3 -","- C22 H22 F2 O6 -","2","1","","Woerly, Eric M.; Banik, Steven M.; Jacobsen, Eric N.","Enantioselective, Catalytic Fluorolactonization Reactions with a Nucleophilic Fluoride Source.","Journal of the American Chemical Society","2016","138","42","13858","13861","10.1021/jacs.6b09499","","","1.54178","CuKα","","0.0338","0.0326","","","0.0843","0.0857","","","","","","1.038","","","","has coordinates","241409","2020-10-21","18:00:00",""
"4131120","4.486","0.0002","6.8678","0.0003","27.2439","0.0011","90","","90","","90","","839.36","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 F O2 -","- C10 H9 F O2 -","- C40 H36 F4 O8 -","4","1","","Woerly, Eric M.; Banik, Steven M.; Jacobsen, Eric N.","Enantioselective, Catalytic Fluorolactonization Reactions with a Nucleophilic Fluoride Source.","Journal of the American Chemical Society","2016","138","42","13858","13861","10.1021/jacs.6b09499","","","1.54178","CuKα","","0.0258","0.0245","","","0.0631","0.065","","","","","","1.08","","","","has coordinates","241410","2020-10-21","18:00:00",""
"4131121","21.6152","0.0006","4.3127","0.0001","14.1504","0.0004","90","","123.392","0.0009","90","","1101.35","0.05","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H12 Cl F O2 -","- C12 H12 Cl F O2 -","- C48 H48 Cl4 F4 O8 -","4","1","","Woerly, Eric M.; Banik, Steven M.; Jacobsen, Eric N.","Enantioselective, Catalytic Fluorolactonization Reactions with a Nucleophilic Fluoride Source.","Journal of the American Chemical Society","2016","138","42","13858","13861","10.1021/jacs.6b09499","","","1.54178","CuKα","","0.0223","0.0221","","","0.0586","0.0592","","","","","","1.076","","","","has coordinates","241411","2020-10-21","18:00:00",""
"4131122","9.313","0.004","28.127","0.011","12.193","0.005","90","","102.813","0.015","90","","3114","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 Mn N5 O2 -","- C32 H46 Mn N5 O2 -","- C128 H184 Mn4 N20 O8 -","4","1","","Clarke, Ryan M.; Storr, Tim","Tuning Electronic Structure To Control Manganese Nitride Activation.","Journal of the American Chemical Society","2016","138","47","15299","15302","10.1021/jacs.6b09576","","","0.71073","MoKα","","0.094","0.0778","","","0.1681","0.1737","","","","","","1.267","","","","has coordinates,has disorder","241412","2020-10-21","18:00:00",""
"4131123","13.6564","0.0002","26.8457","0.0004","24.505","0.0004","90","","90.32","0.001","90","","8983.8","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H34 F6 Mn N3 O2 -","- C30 H34 F6 Mn N3 O2 -","- C360 H408 F72 Mn12 N36 O24 -","12","6","","Clarke, Ryan M.; Storr, Tim","Tuning Electronic Structure To Control Manganese Nitride Activation.","Journal of the American Chemical Society","2016","138","47","15299","15302","10.1021/jacs.6b09576","","","1.54178","CuKα","","0.0646","0.0514","","","0.1223","0.1292","","","","","","0.976","","","","has coordinates,has disorder","241412","2020-10-21","18:00:00",""
"4131124","17.4875","0.0014","10.1425","0.0009","24.385","0.002","90","","108.629","0.002","90","","4098.5","0.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H54 Cl2 F6 Mn N2 O2 Sb -","- C37 H54 Cl2 F6 Mn N2 O2 Sb -","- C148 H216 Cl8 F24 Mn4 N8 O8 Sb4 -","4","1","","Clarke, Ryan M.; Storr, Tim","Tuning Electronic Structure To Control Manganese Nitride Activation.","Journal of the American Chemical Society","2016","138","47","15299","15302","10.1021/jacs.6b09576","","","0.71073","MoKα","","0.0513","0.0461","","","0.1026","0.1059","","","","","","1.051","","","","has coordinates,has disorder","241412","2020-10-21","18:00:00",""
"4131125","8.28575","0.00009","5.58198","0.00005","17.4221","0.0002","90","","103.183","0.0012","90","","784.551","0.015","100.1","0.2","100.1","0.2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C22 H18 -","- C22 H18 -","- C44 H36 -","2","1","","Chu, Wen-Dao; Zhang, Lei; Zhang, Zhikun; Zhou, Qi; Mo, Fanyang; Zhang, Yan; Wang, Jianbo","Enantioselective Synthesis of Trisubstituted Allenes via Cu(I)-Catalyzed Coupling of Diazoalkanes with Terminal Alkynes.","Journal of the American Chemical Society","2016","138","44","14558","14561","10.1021/jacs.6b09674","","","1.54184","CuKα","","0.0431","0.0429","","","0.1175","0.1178","","","","","","1.041","","","","has coordinates","241413","2020-10-21","18:00:00",""
"4131126","17.7258","0.0008","26.2139","0.0013","34.8331","0.0017","101.908","0.002","103.234","0.002","108.766","0.002","14213.2","1.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 Br3 N9 O3 Si -","- C42 H46 Br3 N9 O3 Si -","- C504 H552 Br36 N108 O36 Si12 -","12","6","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","x-ray","0.71073","MoKα","","0.1425","0.0703","","","0.1556","0.1852","","","","","","1.017","","","","has coordinates,has disorder","241414","2020-10-21","18:00:00",""
"4131127","14.396","0.005","18.043","0.005","18.682","0.005","64.501","0.008","80.167","0.008","81.53","0.009","4301","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 Br2 N6 O6 -","- C36 H40 Br2 N6 O6 -","- C144 H160 Br8 N24 O24 -","4","2","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","x-ray","0.71073","MoKα","","0.1533","0.0745","","","0.1751","0.2069","","","","","","0.967","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4131128","9.4581","0.0003","9.4581","0.0003","26.7583","0.0008","90","","90","","120","","2072.99","0.11","100","","100","","","","","","","","","5","P 65","P 65","170","","","","- C11 H13 F3 N4 O3 -","- C11 H13 F3 N4 O3 -","- C66 H78 F18 N24 O18 -","6","1","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","x-ray","1.54178","CuKα","","0.0223","0.0221","","","0.0537","0.0538","","","","","","1.056","","","","has coordinates","241416","2020-10-21","18:00:00",""
"4131129","7.1915","0.0006","9.9207","0.0008","10.5906","0.0008","70.333","0.002","77.849","0.003","73.65","0.003","677.11","0.09","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C26 H38 N6 O4 -","2","1","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","x-ray","0.71073","MoKα","","0.0458","0.0403","","","0.1044","0.111","","","","","","1.046","","","","has coordinates","241417","2020-10-21","18:00:00",""
"4131130","10.2153","0.0002","11.9013","0.0002","14.8471","0.0003","89.378","0.001","70.049","0.001","72.258","0.001","1607.25","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 Br3 N4 O4 -","- C34 H33 Br3 N4 O4 -","- C68 H66 Br6 N8 O8 -","2","1","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","","1.54178","CuKα","","0.0436","0.0329","","","0.0787","0.0828","","","","","","1.097","","","","has coordinates","241418","2020-10-21","18:00:00",""
"4131131","10.6841","0.0005","31.5826","0.0016","9.5285","0.0005","90","","97.09","0.002","90","","3190.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 N4 O4 -","- C33 H32 N4 O4 -","- C132 H128 N16 O16 -","4","1","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","","0.71073","MoKα","","0.0761","0.0556","","","0.1421","0.1528","","","","","","1.035","","","","has coordinates","241419","2020-10-21","18:00:00",""
"4131132","5.303","0.002","31.07","0.014","19.443","0.009","90","","90.324","0.011","90","","3203","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 Br2 N5 O4 -","- C32 H35 Br2 N5 O4 -","- C128 H140 Br8 N20 O16 -","4","1","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","","0.71073","MoKα","","0.0568","0.0362","","","0.0766","0.084","","","","","","1.023","","","","has coordinates","241420","2020-10-21","18:00:00",""
"4131133","6.1564","0.001","15.59","0.003","17.998","0.003","102.075","0.006","93.922","0.004","101.361","0.004","1645.2","0.5","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C32 H35 Br2 N5 O4 -","- C32 H35 Br2 N5 O4 -","- C64 H70 Br4 N10 O8 -","2","2","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","x-ray","0.71073","MoKα","","0.1058","0.0699","","","0.1437","0.1596","","","","","","1.08","","","","has coordinates","241421","2020-10-21","18:00:00",""
"4131134","13.0769","0.0004","9.1858","0.0002","17.9242","0.0006","90","","97.552","0.001","90","","2134.41","0.11","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Br N2 O4 S -","- C21 H23 Br N2 O4 S -","- C84 H92 Br4 N8 O16 S4 -","4","1","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","","0.71073","MoKα","","0.0393","0.0292","","","0.0685","0.0733","","","","","","1.023","","","","has coordinates","241422","2020-10-21","18:00:00",""
"4131135","33.6473","0.0015","33.6473","0.0015","33.6473","0.0015","90","","90","","90","","38093","3","100","2","100","2","","","","","","","","8","P n -3 :2","-P 2ab 2bc 3","201","","","","- C214.51 H260.49 Cl15.22 Hg7.61 N5.98 O47 S36 Zr6 -","- C214.52 H260.499 Cl15.216 Hg7.608 N5.9862 O47 S36 Zr6 -","- C858.082 H1042 Cl60.864 Hg30.432 N23.9448 O188 S144 Zr24 -","4","0.166667","","Hou, Yun-Long; Yee, Ka-Kit; Wong, Yan-Lung; Zha, Meiqin; He, Jun; Zeller, Matthias; Hunter, Allen D.; Yang, Kaiqi; Xu, Zhengtao","Metalation Triggers Single Crystalline Order in a Porous Solid.","Journal of the American Chemical Society","2016","138","45","14852","14855","10.1021/jacs.6b09763","","","0.71073","MoKα","","0.2185","0.128","","","0.3212","0.3957","","","","","","1.053","","","","has coordinates,has disorder","241423","2020-10-21","18:00:00",""
"4131136","18.536","0.012","10.609","0.007","14.294","0.009","90","","110.734","0.007","90","","2629","3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 B2 Co F8 N6 -","- C22 H24 B2 Co F8 N6 -","- C88 H96 B8 Co4 F32 N24 -","4","1","","Woods, Toby J.; Ballesteros-Rivas, María F; Gómez-Coca, Silvia; Ruiz, Eliseo; Dunbar, Kim R.","Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations.","Journal of the American Chemical Society","2016","138","50","16407","16416","10.1021/jacs.6b10154","","","0.71073","MoKα","","0.0381","0.0304","","","0.0808","0.0858","","","","","","1.021","","","","has coordinates","241424","2020-10-21","18:00:00",""
"4131137","11.591","0.003","15.037","0.004","19.998","0.005","90.464","0.003","103.773","0.003","111.089","0.003","3141.6","1.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cl2 Co N4 O2 -","- C18 H18 Cl1.99967 Co N4 O2.00067 -","- C108 H108 Cl11.998 Co6 N24 O12.004 -","6","3","","Woods, Toby J.; Ballesteros-Rivas, María F; Gómez-Coca, Silvia; Ruiz, Eliseo; Dunbar, Kim R.","Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations.","Journal of the American Chemical Society","2016","138","50","16407","16416","10.1021/jacs.6b10154","","","0.71073","MoKα","","0.0949","0.0721","","","0.183","0.2003","","","","","","1.035","","","","has coordinates,has disorder","241424","2020-10-21","18:00:00",""
"4131138","12.394","0.003","12.394","0.003","12.394","0.003","90","","90","","90","","1903.9","0.8","110","2","110","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C18 H18 Cl2 Co N4 -","- C18 H18 Cl2 Co N4 -","- C72 H72 Cl8 Co4 N16 -","4","0.333333","","Woods, Toby J.; Ballesteros-Rivas, María F; Gómez-Coca, Silvia; Ruiz, Eliseo; Dunbar, Kim R.","Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations.","Journal of the American Chemical Society","2016","138","50","16407","16416","10.1021/jacs.6b10154","","","0.71073","MoKα","","0.0246","0.022","","","0.0485","0.0496","","","","","","1.088","","","","has coordinates","241424","2020-10-21","18:00:00",""
"4131139","11.7529","0.0004","15.0871","0.0005","20.3","0.0007","90.776","0.001","102.873","0.001","110.796","0.001","3263.46","0.19","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Br2 Co N4 O2 -","- C18 H18 Br1.99933 Co N4 O2 -","- C108 H108 Br11.996 Co6 N24 O12 -","6","3","","Woods, Toby J.; Ballesteros-Rivas, María F; Gómez-Coca, Silvia; Ruiz, Eliseo; Dunbar, Kim R.","Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations.","Journal of the American Chemical Society","2016","138","50","16407","16416","10.1021/jacs.6b10154","","","1.54178","CuKα","","0.0805","0.0685","","","0.1817","0.1951","","","","","","1.059","","","","has coordinates,has disorder","241424","2020-10-21","18:00:00",""
"4131140","12.626","0.004","12.626","0.004","12.626","0.004","90","","90","","90","","2012.8","1.1","110","2","110","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C18 H18 Br2 Co N4 -","- C18 H18 Br2 Co N4 -","- C72 H72 Br8 Co4 N16 -","4","0.333333","","Woods, Toby J.; Ballesteros-Rivas, María F; Gómez-Coca, Silvia; Ruiz, Eliseo; Dunbar, Kim R.","Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations.","Journal of the American Chemical Society","2016","138","50","16407","16416","10.1021/jacs.6b10154","","","0.71073","MoKα","","0.0333","0.0279","","","0.0626","0.0647","","","","","","1.066","","","","has coordinates","241424","2020-10-21","18:00:00",""
"4131141","9.571","0.0014","14.259","0.002","16.834","0.003","114.841","0.002","100.24","0.002","91.62","0.002","2037.9","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Co I2 N4 -","- C18 H18 Co I2 N4 -","- C72 H72 Co4 I8 N16 -","4","2","","Woods, Toby J.; Ballesteros-Rivas, María F; Gómez-Coca, Silvia; Ruiz, Eliseo; Dunbar, Kim R.","Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations.","Journal of the American Chemical Society","2016","138","50","16407","16416","10.1021/jacs.6b10154","","","0.71073","MoKα","","0.0525","0.0417","","","0.101","0.1061","","","","","","1.094","","","","has coordinates","241424","2020-10-21","18:00:00",""
"4131142","11.5137","0.0014","24.454","0.003","17.944","0.002","90","","99.287","0.005","90","","4986","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SY3-297","hartwig118","","- C45 H78 O6 P2 Pd2 -","- C45 H78 O6 P2 Pd2 -","- C180 H312 O24 P8 Pd8 -","4","1","","Lee, Sarah Yunmi; Hartwig, John F.","Palladium-Catalyzed, Site-Selective Direct Allylation of Aryl C-H Bonds by Silver-Mediated C-H Activation: A Synthetic and Mechanistic Investigation.","Journal of the American Chemical Society","2016","138","46","15278","15284","10.1021/jacs.6b10220","","","0.71073","MoKα","","0.0444","0.035","","","0.0742","0.081","","","","","","1.183","","","","has coordinates","241425","2020-10-21","18:00:00",""
"4131143","7.5173","0.0003","24.0717","0.0009","8.7398","0.0003","90","","108.162","0.002","90","","1502.71","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sy3-052","hartwig115","","- C30 H50 O2 P2 Pd -","- C30 H50 O2 P2 Pd -","- C60 H100 O4 P4 Pd2 -","2","0.5","","Lee, Sarah Yunmi; Hartwig, John F.","Palladium-Catalyzed, Site-Selective Direct Allylation of Aryl C-H Bonds by Silver-Mediated C-H Activation: A Synthetic and Mechanistic Investigation.","Journal of the American Chemical Society","2016","138","46","15278","15284","10.1021/jacs.6b10220","","","0.71073","MoKα","","0.0297","0.0258","","","0.0579","0.0593","","","","","","1.086","","","","has coordinates","241426","2020-10-21","18:00:00",""
"4131144","13.992","0.0006","15.0661","0.0007","15.6337","0.0007","118.564","0.002","91.606","0.002","113.393","0.002","2557.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","SY4-140","hartwig130","","- C28 H27 Ag F O4 P -","- C28 H27 Ag F O4 P -","- C112 H108 Ag4 F4 O16 P4 -","4","2","","Lee, Sarah Yunmi; Hartwig, John F.","Palladium-Catalyzed, Site-Selective Direct Allylation of Aryl C-H Bonds by Silver-Mediated C-H Activation: A Synthetic and Mechanistic Investigation.","Journal of the American Chemical Society","2016","138","46","15278","15284","10.1021/jacs.6b10220","","","0.71073","MoKα","","0.0531","0.0408","","","0.0968","0.1038","","","","","","1.046","","","","has coordinates","241427","2020-10-21","18:00:00",""
"4131145","13.2722","0.0009","18.5465","0.0013","12.5552","0.0009","90","","112.916","0.003","90","","2846.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","SY3-172","hartwig110","","- C29 H43 O3 P Pd -","- C29 H43 O3 P Pd -","- C116 H172 O12 P4 Pd4 -","4","1","","Lee, Sarah Yunmi; Hartwig, John F.","Palladium-Catalyzed, Site-Selective Direct Allylation of Aryl C-H Bonds by Silver-Mediated C-H Activation: A Synthetic and Mechanistic Investigation.","Journal of the American Chemical Society","2016","138","46","15278","15284","10.1021/jacs.6b10220","","","0.71073","MoKα","","0.0306","0.0267","","","0.0582","0.0612","","","","","","1.161","","","","has coordinates","241428","2020-10-21","18:00:00",""
"4131146","17.5862","0.0005","10.1733","0.0003","24.2763","0.0008","90","","96.715","0.002","90","","4313.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SY4-032","hartwig121","","- C20 H34 Ag O3 P -","- C20 H34 Ag O3 P -","- C160 H272 Ag8 O24 P8 -","8","2","","Lee, Sarah Yunmi; Hartwig, John F.","Palladium-Catalyzed, Site-Selective Direct Allylation of Aryl C-H Bonds by Silver-Mediated C-H Activation: A Synthetic and Mechanistic Investigation.","Journal of the American Chemical Society","2016","138","46","15278","15284","10.1021/jacs.6b10220","","","0.71073","MoKα","","0.0695","0.053","","","0.1065","0.1139","","","","","","1.053","","","","has coordinates,has disorder","241429","2020-10-21","18:00:00",""
"4131147","37.6207","0.0017","10.4388","0.0006","15.9363","0.0009","90","","90.951","0.003","90","","6257.6","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H29 B9 F4 Ir N3 -","- C30 H29 B9 F4 Ir N3 -","- C240 H232 B72 F32 Ir8 N24 -","8","1","","Axtell, Jonathan C.; Kirlikovali, Kent O.; Djurovich, Peter I.; Jung, Dahee; Nguyen, Vinh T.; Munekiyo, Brian; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","Blue Phosphorescent Zwitterionic Iridium(III) Complexes Featuring Weakly Coordinating nido-Carborane-Based Ligands.","Journal of the American Chemical Society","2016","138","48","15758","15765","10.1021/jacs.6b10232","","","0.71073","MoKα","","0.0608","0.0357","","","0.063","0.0696","","","","","","0.967","","","","has coordinates","241430","2020-10-21","18:00:00",""
"4131148","16.2061","0.0013","12.6835","0.0009","16.3956","0.001","90","","92.385","0.005","90","","3367.2","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 B9 Cl2 F4 Ir N3 -","- C30 H29 B9 Cl2 F4 Ir N3 -","- C120 H116 B36 Cl8 F16 Ir4 N12 -","4","1","","Axtell, Jonathan C.; Kirlikovali, Kent O.; Djurovich, Peter I.; Jung, Dahee; Nguyen, Vinh T.; Munekiyo, Brian; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","Blue Phosphorescent Zwitterionic Iridium(III) Complexes Featuring Weakly Coordinating nido-Carborane-Based Ligands.","Journal of the American Chemical Society","2016","138","48","15758","15765","10.1021/jacs.6b10232","","","0.71073","MoKα","","0.0689","0.0497","","","0.1086","0.1195","","","","","","1.0784","","","","has coordinates","241430","2020-10-21","18:00:00",""
"4131149","12.823","0.002","13.237","0.002","18.56","0.003","77.255","0.005","82.784","0.005","83.833","0.005","3038","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30.25 H33.5 B9 Cl0.5 Ir N3 -","- C30.25 H33.5 B9 Cl0.5 Ir N3 -","- C121 H134 B36 Cl2 Ir4 N12 -","4","2","","Axtell, Jonathan C.; Kirlikovali, Kent O.; Djurovich, Peter I.; Jung, Dahee; Nguyen, Vinh T.; Munekiyo, Brian; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","Blue Phosphorescent Zwitterionic Iridium(III) Complexes Featuring Weakly Coordinating nido-Carborane-Based Ligands.","Journal of the American Chemical Society","2016","138","48","15758","15765","10.1021/jacs.6b10232","","","0.71073","MoKα","","0.0278","0.023","","","0.0561","0.0591","","","","","","1.028","","","","has coordinates,has disorder","241430","2020-10-21","18:00:00",""
"4131150","12.8325","0.001","13.1926","0.0009","17.1543","0.0011","90","","104.348","0.003","90","","2813.5","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 B9 Ir N3 -","- C29 H31 B9 Ir N3 -","- C116 H124 B36 Ir4 N12 -","4","1","","Axtell, Jonathan C.; Kirlikovali, Kent O.; Djurovich, Peter I.; Jung, Dahee; Nguyen, Vinh T.; Munekiyo, Brian; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","Blue Phosphorescent Zwitterionic Iridium(III) Complexes Featuring Weakly Coordinating nido-Carborane-Based Ligands.","Journal of the American Chemical Society","2016","138","48","15758","15765","10.1021/jacs.6b10232","","x-ray","0.71073","MoKα","","0.0455","0.0312","","","0.0671","0.0734","","","","","","1.064","","","","has coordinates","241430","2020-10-21","18:00:00",""
"4131151","12.636","0.003","12.616","0.003","23.911","0.005","90","","90","","90","","3811.8","1.5","113","","113","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 F3 N2 O3 -","- C21 H15 F3 N2 O3 -","- C168 H120 F24 N16 O24 -","8","2","","Douki, Kazuya; Ono, Hiroyuki; Taniguchi, Tohru; Shimokawa, Jun; Kitamura, Masato; Fukuyama, Tohru","Enantioselective Total Synthesis of (+)-Hinckdentine A via a Catalytic Dearomatization Approach.","Journal of the American Chemical Society","2016","138","44","14578","14581","10.1021/jacs.6b10237","","","0.71075","MoKα","","","0.042","","","","0.1144","","","","","","1.08","","","","has coordinates","241431","2020-10-21","18:00:00",""
"4131152","19.57","0.002","19.57","0.002","9.704","0.002","90","","90","","90","","3716.5","0.9","173","","","","","","","","","","see text","4","P -4 21 c","P -4 2n","114","","","","- C20 H18 Br2 O2 -","- C20 H18 Br2 O2 -","- C160 H144 Br16 O16 -","8","1","","Abdulkarim, Ali; Hinkel, Felix; Jänsch, Daniel; Freudenberg, Jan; Golling, Florian E.; Müllen, Klaus","A New Solution to an Old Problem: Synthesis of Unsubstituted Poly(para-phenylene).","Journal of the American Chemical Society","2016","138","50","16208","16211","10.1021/jacs.6b10254","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","241432","2020-10-21","18:00:00",""
"4131153","15.1229","0.001","12.2107","0.0006","9.0045","0.0006","90","","101.217","0.005","90","","1631.02","0.18","193","","","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br2 O2 -","- C18 H14 Br2 O2 -","- C72 H56 Br8 O8 -","4","1","","Abdulkarim, Ali; Hinkel, Felix; Jänsch, Daniel; Freudenberg, Jan; Golling, Florian E.; Müllen, Klaus","A New Solution to an Old Problem: Synthesis of Unsubstituted Poly(para-phenylene).","Journal of the American Chemical Society","2016","138","50","16208","16211","10.1021/jacs.6b10254","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","241433","2020-10-21","18:00:00",""
"4131154","23.2609","0.0014","10.0529","0.0004","13.4445","0.0008","90","","99.182","0.005","90","","3103.6","0.3","193","","","","","","","","","","see text","3","C 1 2/c 1","-C 2yc","15","","","","- B2 H42 O6 -","- C32 H42 B2 O6 -","- C128 H168 B8 O24 -","4","0.5","","Abdulkarim, Ali; Hinkel, Felix; Jänsch, Daniel; Freudenberg, Jan; Golling, Florian E.; Müllen, Klaus","A New Solution to an Old Problem: Synthesis of Unsubstituted Poly(para-phenylene).","Journal of the American Chemical Society","2016","138","50","16208","16211","10.1021/jacs.6b10254","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","241434","2020-10-21","18:00:00",""
"4131155","5.9556","0.0011","14.713","0.003","16.417","0.004","90","","90","","90","","1438.5","0.5","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H7 B O2 -","- C8 H7 B O2 -","- C64 H56 B8 O16 -","8","2","","Saito, Hayate; Otsuka, Shinya; Nogi, Keisuke; Yorimitsu, Hideki","Nickel-Catalyzed Boron Insertion into the C2-O Bond of Benzofurans.","Journal of the American Chemical Society","2016","138","47","15315","15318","10.1021/jacs.6b10255","","","1.54187","CuKα","","0.0281","0.0273","","","0.0729","0.0734","","","","","","1.005","","","","has coordinates","241435","2020-10-21","18:00:00",""
"4131156","8.1656","0.0012","15.1358","0.0014","15.7979","0.0016","90","","102.468","0.0019","90","","1906.5","0.4","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 O2 -","- C30 H16 O2 -","- C120 H64 O8 -","4","1","","Yanagi, Tomoyuki; Otsuka, Shinya; Kasuga, Yuko; Fujimoto, Keisuke; Murakami, Kei; Nogi, Keisuke; Yorimitsu, Hideki; Osuka, Atsuhiro","Metal-Free Approach to Biaryls from Phenols and Aryl Sulfoxides by Temporarily Sulfur-Tethered Regioselective C-H/C-H Coupling.","Journal of the American Chemical Society","2016","138","44","14582","14585","10.1021/jacs.6b10278","","","1.54187","CuKα","","0.0341","0.0313","","","0.0825","0.0844","","","","","","1.046","","","","has coordinates","241436","2020-10-21","18:00:00",""
"4131157","6.828","0.0014","9.559","0.0019","31.669","0.006","90","","90","","90","","2067","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O3 -","- C24 H34 O3 -","- C96 H136 O12 -","4","1","","Ren, Wenlong; Chang, Wenju; Dai, Jie; Shi, Yuan; Li, Jingfu; Shi, Yian","An Effective Pd-Catalyzed Regioselective Hydroformylation of Olefins with Formic Acid.","Journal of the American Chemical Society","2016","138","45","14864","14867","10.1021/jacs.6b10297","","","0.71073","MoKα","","0.1416","0.0688","","","0.0793","0.0953","","","","","","1.003","","","","has coordinates","241437","2020-10-21","18:00:00",""
"4131158","17.0516","0.0012","7.5368","0.0001","13.2536","0.0002","90","","90","","90","","1703.28","0.12","85","2","85","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H13 B F6 N7 Ni -","- C13 H13 B F6 N7 Ni -","- C52 H52 B4 F24 N28 Ni4 -","4","1","","Bour, James R.; Camasso, Nicole M.; Meucci, Elizabeth A.; Kampf, Jeff W.; Canty, Allan J.; Sanford, Melanie S.","Carbon-Carbon Bond-Forming Reductive Elimination from Isolated Nickel(III) Complexes.","Journal of the American Chemical Society","2016","138","49","16105","16111","10.1021/jacs.6b10350","","","1.54178","CuKα","","0.0266","0.0263","","","0.0636","0.0638","","","","","","1.183","","","","has coordinates","241438","2020-10-21","18:00:00",""
"4131159","14.9798","0.0002","13.0128","0.0002","19.5957","0.0002","90","","90","","90","","3819.77","0.09","85","2","85","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 B N6 Ni -","- C21 H18 B N6 Ni -","- C168 H144 B8 N48 Ni8 -","8","1","","Bour, James R.; Camasso, Nicole M.; Meucci, Elizabeth A.; Kampf, Jeff W.; Canty, Allan J.; Sanford, Melanie S.","Carbon-Carbon Bond-Forming Reductive Elimination from Isolated Nickel(III) Complexes.","Journal of the American Chemical Society","2016","138","49","16105","16111","10.1021/jacs.6b10350","","","1.54184","CuKα","","0.0501","0.045","","","0.1171","0.1257","","","","","","1.073","","","","has coordinates","241439","2020-10-21","18:00:00",""
"4131160","20.4982","0.0014","10.1199","0.0002","17.0418","0.0003","90","","90","","90","","3535.1","0.3","85","2","85","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H15 B F3 N6 Ni -","- C16 H15 B F3 N6 Ni -","- C128 H120 B8 F24 N48 Ni8 -","8","2","","Bour, James R.; Camasso, Nicole M.; Meucci, Elizabeth A.; Kampf, Jeff W.; Canty, Allan J.; Sanford, Melanie S.","Carbon-Carbon Bond-Forming Reductive Elimination from Isolated Nickel(III) Complexes.","Journal of the American Chemical Society","2016","138","49","16105","16111","10.1021/jacs.6b10350","","","1.54178","CuKα","","0.0442","0.044","","","0.1094","0.1096","","","","","","1.063","","","","has coordinates","241440","2020-10-21","18:00:00",""
"4131161","7.7348","0.0001","20.0782","0.0002","23.804","0.0002","90","","90.094","0.002","90","","3696.78","0.07","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 B N6 Ni -","- C19 H22 B N6 Ni -","- C152 H176 B8 N48 Ni8 -","8","2","","Bour, James R.; Camasso, Nicole M.; Meucci, Elizabeth A.; Kampf, Jeff W.; Canty, Allan J.; Sanford, Melanie S.","Carbon-Carbon Bond-Forming Reductive Elimination from Isolated Nickel(III) Complexes.","Journal of the American Chemical Society","2016","138","49","16105","16111","10.1021/jacs.6b10350","","","1.54178","CuKα","","0.0499","0.0496","","","0.1308","0.1315","","","","","","1.083","","","","has coordinates,has disorder","241441","2020-10-21","18:00:00",""
"4131162","8.50891","0.00008","17.83577","0.00013","15.13048","0.00014","90","","100.464","0.0009","90","","2258.06","0.03","85","2","85","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C19 H24 B F3 N6 Ni P -","- C19 H24 B F3 N6 Ni P -","- C76 H96 B4 F12 N24 Ni4 P4 -","4","1","","Bour, James R.; Camasso, Nicole M.; Meucci, Elizabeth A.; Kampf, Jeff W.; Canty, Allan J.; Sanford, Melanie S.","Carbon-Carbon Bond-Forming Reductive Elimination from Isolated Nickel(III) Complexes.","Journal of the American Chemical Society","2016","138","49","16105","16111","10.1021/jacs.6b10350","","","1.54184","CuKα","","0.0269","0.0264","","","0.0667","0.067","","","","","","1.047","","","","has coordinates","241442","2020-10-21","18:00:00",""
"4131163","9.8233","0.0003","24.3526","0.001","13.3575","0.0004","90","","107.704","0.002","90","","3044.09","0.18","193","2","193","2","","","","","","","","5","P 1 n 1","P -2yac","7","","4-(6,11-dibromo-1,4-diphenyl-3-(thiophen-3-yl)triphenylen-2-yl)pyridine","","- C39 H23 Br2 N S -","- C39 H23 Br2 N S -","- C156 H92 Br8 N4 S4 -","4","2","","Chen, Zongping; Zhang, Wen; Palma, Carlos-Andres; Lodi Rizzini, Alberto; Liu, Bilu; Abbas, Ahmad; Richter, Nils; Martini, Leonardo; Wang, Xiao-Ye; Cavani, Nicola; Lu, Hao; Mishra, Neeraj; Coletti, Camilla; Berger, Reinhard; Klappenberger, Florian; Kläui, Mathias; Candini, Andrea; Affronte, Marco; Zhou, Chongwu; De Renzi, Valentina; Del Pennino, Umberto; Barth, Johannes V.; Räder, Hans Joachim; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus","Synthesis of Graphene Nanoribbons by Ambient-Pressure Chemical Vapor Deposition and Device Integration.","Journal of the American Chemical Society","2016","138","47","15488","15496","10.1021/jacs.6b10374","","","0.71073","MoKα","","0.0737","0.0467","","","0.0982","0.1276","","","","","","1.056","","","","has coordinates,has disorder","241443","2020-10-21","18:00:00",""
"4131164","10.0211","0.0005","16.2229","0.0009","16.7816","0.0008","82.685","0.003","85.938","0.003","76.786","0.003","2631.9","0.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C95 H29 N2 O2 -","- C95 H29 N2 O2 -","- C190 H58 N4 O4 -","2","1","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","Silver(I)-Mediated Modification, Dimerization, and Polymerization of an Open-Cage Fullerene.","Journal of the American Chemical Society","2016","138","50","16459","16465","10.1021/jacs.6b10394","","","1.54178","CuKα","","0.0893","0.0624","","","0.1601","0.1781","","","","","","1.025","","","","has coordinates,has disorder","241444","2020-10-21","18:00:00",""
"4131165","24.5549","0.0012","13.8358","0.0007","20.011","0.0009","90","","109.893","0.002","90","","6392.8","0.5","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C89 H33.25 Ag2 Cl4 F3 N2 O9 -","- C89 H33.25 Ag2 Cl4 F3 N2 O9 -","- C356 H133 Ag8 Cl16 F12 N8 O36 -","4","1","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","Silver(I)-Mediated Modification, Dimerization, and Polymerization of an Open-Cage Fullerene.","Journal of the American Chemical Society","2016","138","50","16459","16465","10.1021/jacs.6b10394","","","1.54178","CuKα","","0.1019","0.0964","","","0.2541","0.2587","","","","","","1.09","","","","has coordinates,has disorder","241445","2020-10-21","18:00:00",""
"4131166","11.5733","0.0004","22.8941","0.0008","29.5418","0.0009","71.278","0.002","82.596","0.002","83.746","0.002","7332.4","0.4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C172 H63 Ag4 N4 O17 -","- C172 H63 Ag4 N4 O17 -","- C344 H126 Ag8 N8 O34 -","2","1","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","Silver(I)-Mediated Modification, Dimerization, and Polymerization of an Open-Cage Fullerene.","Journal of the American Chemical Society","2016","138","50","16459","16465","10.1021/jacs.6b10394","","","1.54178","CuKα","","0.1099","0.0912","","","0.232","0.2442","","","","","","1.026","","","","has coordinates,has disorder","241446","2020-10-21","18:00:00",""
"4131167","9.336","0.006","5.059","0.003","19.254","0.012","90","","101.116","0.009","90","","892.3","1","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Br N O -","- C20 H20 Br N O -","- C40 H40 Br2 N2 O2 -","2","1","","Wang, Zi-Xuan; Bai, Xiao-Yan; Yao, Han-Chao; Li, Bi-Jie","Synthesis of Amides with Remote Stereocenters by Catalytic Asymmetric γ-Alkynylation of α,β-Unsaturated Amides.","Journal of the American Chemical Society","2016","138","45","14872","14875","10.1021/jacs.6b10415","","","0.71073","MoKα","","0.0684","0.0575","","","0.092","0.0969","","","","","","1.155","","","","has coordinates","241447","2020-10-21","18:00:00",""
"4131168","12.6957","0.0008","13.7455","0.0007","15.3667","0.0009","104.296","0.002","90.301","0.002","104.17","0.002","2513.3","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","[CNArMes2]2","","","- C58 H68 N2 O2 -","- C58 H68 N2 O2 -","- C116 H136 N4 O4 -","2","1","","Agnew, Douglas W.; Gembicky, Milan; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Robust, Transformable, and Crystalline Single-Node Organometallic Networks Constructed from Ditopic m-Terphenyl Isocyanides.","Journal of the American Chemical Society","2016","138","46","15138","15141","10.1021/jacs.6b10460","","","0.71073","MoKα","","0.0774","0.0442","","","0.0958","0.1095","","","","","","1.003","","","","has coordinates","241448","2020-10-21","18:00:00",""
"4131169","13.74","0.003","31.382","0.006","21.01","0.004","90","","99.681","0.003","90","","8930","3","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Cu-ISOCN-3","","","- C95 H112 Cu F6 N3 O5 P -","- C95 H112 Cu F6 N3 O5 P -","- C380 H448 Cu4 F24 N12 O20 P4 -","4","1","","Agnew, Douglas W.; Gembicky, Milan; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Robust, Transformable, and Crystalline Single-Node Organometallic Networks Constructed from Ditopic m-Terphenyl Isocyanides.","Journal of the American Chemical Society","2016","138","46","15138","15141","10.1021/jacs.6b10460","","","0.71073","MoKα","","0.2176","0.123","","","0.3287","0.3825","","","","","","1.195","","","","has coordinates","241448","2020-10-21","18:00:00",""
"4131170","38.4955","0.0014","17.5041","0.0006","27.6236","0.001","90","","113.737","0.002","90","","17038.9","1.1","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Cu-ISOCN-2","","","- C79 H79 Cu F6 N3 O P -","- C79 H79 Cu F6 N3 O P -","- C632 H632 Cu8 F48 N24 O8 P8 -","8","1","","Agnew, Douglas W.; Gembicky, Milan; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Robust, Transformable, and Crystalline Single-Node Organometallic Networks Constructed from Ditopic m-Terphenyl Isocyanides.","Journal of the American Chemical Society","2016","138","46","15138","15141","10.1021/jacs.6b10460","","","0.71073","MoKα","","0.1493","0.0999","","","0.2839","0.339","","","","","","1.295","","","","has coordinates,has disorder","241448","2020-10-21","18:00:00",""
"4131171","30.438","0.0014","44.985","0.002","30.3992","0.0014","90","","90","","90","","41624","3","100","2","100","","","","","","","","","7","F d d 2","F 2 -2d","43","Cu-ISOCN-1","","","- C112 H119 Cu F6 N4 O3 P -","- C112 H119 Cu F6 N4 O3 P -","- C1792 H1904 Cu16 F96 N64 O48 P16 -","16","1","","Agnew, Douglas W.; Gembicky, Milan; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Robust, Transformable, and Crystalline Single-Node Organometallic Networks Constructed from Ditopic m-Terphenyl Isocyanides.","Journal of the American Chemical Society","2016","138","46","15138","15141","10.1021/jacs.6b10460","","","1.54178","CuKα","","0.1033","0.0887","","","0.2476","0.2708","","","","","","1.057","","","","has coordinates","241448","2020-10-21","18:00:00",""
"4131172","7.0768","0.0006","8.741","0.0006","19.9486","0.0013","90","","90","","90","","1233.99","0.16","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 F3 N2 O -","- C12 H11 F3 N2 O -","- C48 H44 F12 N8 O4 -","4","1","","Wang, Fei; Wang, Dinghai; Wan, Xiaolong; Wu, Lianqian; Chen, Pinhong; Liu, Guosheng","Enantioselective Copper-Catalyzed Intermolecular Cyanotrifluoromethylation of Alkenes via Radical Process.","Journal of the American Chemical Society","2016","138","48","15547","15550","10.1021/jacs.6b10468","","","1.54178","CuKα","","0.0587","0.0483","","","0.1367","0.1395","","","","","","1.068","","","","has coordinates","241449","2020-10-21","18:00:00",""
"4131173","7.2323","0.0004","7.7706","0.0004","20.5683","0.001","90","","90","","90","","1155.92","0.1","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 F3 N -","- C12 H12 F3 N -","- C48 H48 F12 N4 -","4","1","","Wang, Fei; Wang, Dinghai; Wan, Xiaolong; Wu, Lianqian; Chen, Pinhong; Liu, Guosheng","Enantioselective Copper-Catalyzed Intermolecular Cyanotrifluoromethylation of Alkenes via Radical Process.","Journal of the American Chemical Society","2016","138","48","15547","15550","10.1021/jacs.6b10468","","","1.54178","CuKα","","0.0486","0.0471","","","0.1279","0.1305","","","","","","1.116","","","","has coordinates","241450","2020-10-21","18:00:00",""
"4131174","12.8387","0.0008","13.2552","0.0008","14.3715","0.0008","76.202","0.002","75.565","0.002","72.413","0.002","2222.3","0.2","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H68 Mo O2 P2 Si2 -","- C42 H68 Mo O2 P2 Si2 -","- C84 H136 Mo2 O4 P4 Si4 -","2","1","","Buss, Joshua A.; Agapie, Theodor","Mechanism of Molybdenum-Mediated Carbon Monoxide Deoxygenation and Coupling: Mono- and Dicarbyne Complexes Precede C-O Bond Cleavage and C-C Bond Formation.","Journal of the American Chemical Society","2016","138","50","16466","16477","10.1021/jacs.6b10535","","","0.71073","MoKα","","0.0825","0.0447","","","0.0721","0.0802","","","","","","1.04","","","","has coordinates,has disorder","241451","2020-10-21","18:00:00",""
"4131175","9.276","0.0003","11.7913","0.0004","16.9954","0.0006","108.182","0.001","100.246","0.001","98.836","0.001","1693.88","0.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H49 Cl Mo O P2 Si -","- C35 H49 Cl Mo O P2 Si -","- C70 H98 Cl2 Mo2 O2 P4 Si2 -","2","1","","Buss, Joshua A.; Agapie, Theodor","Mechanism of Molybdenum-Mediated Carbon Monoxide Deoxygenation and Coupling: Mono- and Dicarbyne Complexes Precede C-O Bond Cleavage and C-C Bond Formation.","Journal of the American Chemical Society","2016","138","50","16466","16477","10.1021/jacs.6b10535","","","0.71073","MoKα","","0.0331","0.0242","","","0.0541","0.0568","","","","","","1.039","","","","has coordinates","241451","2020-10-21","18:00:00",""
"4131176","24.5299","0.0016","24.5299","0.0016","16.0593","0.0011","90","","90","","90","","9663.1","1.1","173","2","173.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C46 H48 Cl2 N10 O10 Zn2 -","- C46 H48 Cl2 N10 O10 Zn2 -","- C368 H384 Cl16 N80 O80 Zn16 -","8","1","","Pramanik, Susnata; Aprahamian, Ivan","Hydrazone Switch-Based Negative Feedback Loop.","Journal of the American Chemical Society","2016","138","46","15142","15145","10.1021/jacs.6b10542","","","0.71073","MoKα","","0.0907","0.0524","","","0.1152","0.1356","","","","","","1.025","","","","has coordinates","241452","2020-10-21","18:00:00",""
"4131177","13.303","0.0019","10.8081","0.0015","13.6576","0.0019","90","","112.965","0.0016","90","","1808.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N4 O -","- C21 H22 N4 O -","- C84 H88 N16 O4 -","4","1","","Pramanik, Susnata; Aprahamian, Ivan","Hydrazone Switch-Based Negative Feedback Loop.","Journal of the American Chemical Society","2016","138","46","15142","15145","10.1021/jacs.6b10542","","","0.71073","MoKα","","0.0714","0.0492","","","0.1341","0.1562","","","","","","1.065","","","","has coordinates","241453","2020-10-21","18:00:00",""
"4131178","14.6897","0.0007","11.2855","0.0006","26.2745","0.0013","90","","92.616","0.001","90","","4351.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 N4 P S2 V -","- C46 H57.2406 N4 P S2 V -","- C184 H228.962 N16 P4 S8 V4 -","4","1","","Courtemanche, Marc-André; Transue, Wesley J.; Cummins, Christopher C.","Phosphinidene Reactivity of a Transient Vanadium P≡N Complex.","Journal of the American Chemical Society","2016","138","50","16220","16223","10.1021/jacs.6b10545","","","0.71073","MoKα","","0.0513","0.0405","","","0.1022","0.109","","","","","","1.024","","","","has coordinates,has disorder","241454","2020-10-21","18:00:00",""
"4131179","10.712","0.007","10.766","0.006","20.493","0.012","93.01","0.011","95.875","0.011","111.081","0.01","2183","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H70 N4 P V -","- C44 H70 N4 P V -","- C88 H140 N8 P2 V2 -","2","1","","Courtemanche, Marc-André; Transue, Wesley J.; Cummins, Christopher C.","Phosphinidene Reactivity of a Transient Vanadium P≡N Complex.","Journal of the American Chemical Society","2016","138","50","16220","16223","10.1021/jacs.6b10545","","","0.71073","MoKα","","0.082","0.0508","","","0.1213","0.1369","","","","","","1.038","","","","has coordinates,has disorder","241455","2020-10-21","18:00:00",""
"4131180","10.5666","0.0009","11.456","0.001","17.0471","0.0014","88.103","0.002","75.493","0.002","81.77","0.002","1977.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H62 N4 P V -","- C41 H62 N4 P V -","- C82 H124 N8 P2 V2 -","2","1","","Courtemanche, Marc-André; Transue, Wesley J.; Cummins, Christopher C.","Phosphinidene Reactivity of a Transient Vanadium P≡N Complex.","Journal of the American Chemical Society","2016","138","50","16220","16223","10.1021/jacs.6b10545","","","0.71073","MoKα","","0.0884","0.0571","","","0.1361","0.1525","","","","","","1.043","","","","has coordinates,has disorder","241456","2020-10-21","18:00:00",""
"4131181","12.1402","0.0006","17.3686","0.001","34.052","0.002","90","","97.011","0.001","90","","7126.5","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H108 N8 P2 V2 -","- C72 H108 N8 P2 V2 -","- C288 H432 N32 P8 V8 -","4","0.5","","Courtemanche, Marc-André; Transue, Wesley J.; Cummins, Christopher C.","Phosphinidene Reactivity of a Transient Vanadium P≡N Complex.","Journal of the American Chemical Society","2016","138","50","16220","16223","10.1021/jacs.6b10545","","","0.71073","MoKα","","0.0484","0.0405","","","0.1047","0.1119","","","","","","1.024","","","","has coordinates,has disorder","241457","2020-10-21","18:00:00",""
"4131182","29.333","0.0012","29.333","0.0012","23.124","0.001","90","","90","","120","","17230.8","1.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C76 H118 N8 O P2 V2 -","- C76 H118 N8 O P1.9998 V2 -","- C684 H1062 N72 O9 P17.9982 V18 -","9","0.5","","Courtemanche, Marc-André; Transue, Wesley J.; Cummins, Christopher C.","Phosphinidene Reactivity of a Transient Vanadium P≡N Complex.","Journal of the American Chemical Society","2016","138","50","16220","16223","10.1021/jacs.6b10545","","","0.71073","MoKα","","0.0644","0.0555","","","0.1411","0.1493","","","","","","1.02","","","","has coordinates,has disorder","241458","2020-10-21","18:00:00",""
"4131183","10.0794","0.0019","13.775","0.005","16.137","0.005","100.904","0.009","102.293","0.006","95.348","0.008","2128.7","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H136 Cl10 In2 P4 Pt2 -","- C74 H136 Cl10 In2 P4 Pt2 -","- C74 H136 Cl10 In2 P4 Pt2 -","1","0.5","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0264","0.0235","","","0.0561","0.0582","","","","","","1.053","","","","has coordinates","241459","2020-10-21","18:00:00",""
"4131184","18.21","0.03","18.2","0.03","24.12","0.04","90","","90","","90","","7994","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H66 Br3 In P2 Pt -","- C36 H66 Br3 In P2 Pt -","- C288 H528 Br24 In8 P16 Pt8 -","8","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.03","0.0239","","","0.0606","0.0641","","","","","","1.034","","","","has coordinates","241459","2020-10-21","18:00:00",""
"4131185","20.3253","0.0016","17.5271","0.0016","23.86","0.002","90","","95.22","0.003","90","","8464.7","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H66 I3 In P2 Pt -","- C36 H66 I3 In P2 Pt -","- C288 H528 I24 In8 P16 Pt8 -","8","2","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0485","0.0379","","","0.073","0.08","","","","","","1.245","","","","has coordinates","241459","2020-10-21","18:00:00",""
"4131186","10.039","0.005","11.374","0.002","18.113","0.009","85.665","0.018","84.79","0.03","79.33","0.03","2020.4","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H57 Cl3 In N2 P Pt -","- C39 H57 Cl3 In N2 P Pt -","- C78 H114 Cl6 In2 N4 P2 Pt2 -","2","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0173","0.0156","","","0.0381","0.0389","","","","","","1.065","","","","has coordinates,has disorder","241459","2020-10-21","18:00:00",""
"4131187","9.7448","0.0005","11.3216","0.0006","21.2806","0.0011","99.695","0.002","98.538","0.002","103.025","0.002","2211.9","0.2","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H59 Br3 Cl2 In N2 P Pt -","- C40 H59 Br3 Cl2 In N2 P Pt -","- C80 H118 Br6 Cl4 In2 N4 P2 Pt2 -","2","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0176","0.0171","","","0.0416","0.0418","","","","","","1.111","","","","has coordinates","241459","2020-10-21","18:00:00",""
"4131188","11.252","0.003","13.5715","0.0018","14.616","0.003","90","","100.154","0.009","90","","2197","0.8","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C40 H59 Br3 Cl2 In N2 P Pt -","- C40 H59 Br3 Cl2 In N2 P Pt -","- C80 H118 Br6 Cl4 In2 N4 P2 Pt2 -","2","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0267","0.0254","","","0.053","0.0533","","","","","","1.02","","","","has coordinates","241459","2020-10-21","18:00:00",""
"4131189","19.3025","0.001","14.6591","0.0007","15.6982","0.0008","90","","105.338","0.002","90","","4283.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 I3 In N2 P Pt -","- C39 H57 I3 In N2 P Pt -","- C156 H228 I12 In4 N8 P4 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0461","0.0285","","","0.05","0.0558","","","","","","1.073","","","","has coordinates","241459","2020-10-21","18:00:00",""
"4131190","10.537","0.008","18.202","0.005","17.746","0.01","90","","96.12","0.03","90","","3384","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H51 Cl3 In N2 P Pt -","- C28 H51 Cl3 In N2 P Pt -","- C112 H204 Cl12 In4 N8 P4 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0244","0.0177","","","0.0382","0.0408","","","","","","1.096","","","","has coordinates","241460","2020-10-21","18:00:00",""
"4131191","12.626","0.012","20.121","0.016","14.367","0.01","90","","105.01","0.04","90","","3525","5","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H51 Br3 In N2 P Pt -","- C28 H51 Br3 In N2 P Pt -","- C112 H204 Br12 In4 N8 P4 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0607","0.0389","","","0.0755","0.0841","","","","","","1.06","","","","has coordinates","241460","2020-10-21","18:00:00",""
"4131192","15.844","0.007","11.462","0.005","21.628","0.009","90","","107.92","0.02","90","","3737","3","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H51 I3 In N2 P Pt -","- C28 H51 I3 In N2 P Pt -","- C112 H204 I12 In4 N8 P4 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0294","0.0228","","","0.048","0.0507","","","","","","1.084","","","","has coordinates","241460","2020-10-21","18:00:00",""
"4131193","10.3824","0.0015","17.613","0.002","19.569","0.003","90","","91.543","0.005","90","","3577.2","0.9","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H55 Cl3 In N2 P Pt -","- C32 H55 Cl3 In N2 P Pt -","- C128 H220 Cl12 In4 N8 P4 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0155","0.0147","","","0.0376","0.0379","","","","","","1.048","","","","has coordinates","241460","2020-10-21","18:00:00",""
"4131194","26.842","0.005","11.4344","0.0019","18.267","0.005","90","","125.656","0.012","90","","4555.5","1.8","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C44 H67 Cl3 In N2 P Pt -","- C44 H67 Cl3 In N2 P Pt -","- C176 H268 Cl12 In4 N8 P4 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0216","0.019","","","0.038","0.0389","","","","","","0.807","","","","has coordinates","241460","2020-10-21","18:00:00",""
"4131195","14.1686","0.0004","18.407","0.0005","23.6583","0.0008","90","","102.763","0.001","90","","6017.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47.15 H87.28 Cl11.27 In P3 Pt -","- C47.138 H87.276 Cl11.276 In P3 Pt -","- C188.552 H349.104 Cl45.104 In4 P12 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0435","0.0339","","","0.0728","0.0788","","","","","","1.058","","","","has coordinates,has disorder","241460","2020-10-21","18:00:00",""
"4131196","14.0146","0.0015","17.9899","0.0019","24.582","0.003","90","","101.702","0.003","90","","6068.8","1.2","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H89 Cl11 In P3 Pt -","- C48 H89 Cl11 In P3 Pt -","- C192 H356 Cl44 In4 P12 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.1071","0.0571","","","0.1029","0.1196","","","","","","1.016","","","","has coordinates,has disorder","241460","2020-10-21","18:00:00",""
"4131197","13.0165","0.0008","22.8785","0.0015","18.2202","0.0013","90","","91.732","0.002","90","","5423.5","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C53 H66 Br3 F4 In N3 P Pt -","- C53 H66 Br3 F4 In N3 P Pt -","- C212 H264 Br12 F16 In4 N12 P4 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0353","0.0261","","","0.0576","0.0602","","","","","","1.064","","","","has coordinates","241460","2020-10-21","18:00:00",""
"4131198","6.069","0.0003","16.0832","0.0008","23.2308","0.0013","90","","90","","90","","2267.5","0.2","292","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Br N O5 -","- C22 H30 Br N O5 -","- C88 H120 Br4 N4 O20 -","4","1","","Liu, Yidong; Ao, Jun; Paladhi, Sushovan; Song, Choong Eui; Yan, Hailong","Organocatalytic Asymmetric Synthesis of Chiral Dioxazinanes and Dioxazepanes with in Situ Generated Nitrones via a Tandem Reaction Pathway Using a Cooperative Cation Binding Catalyst.","Journal of the American Chemical Society","2016","138","50","16486","16492","10.1021/jacs.6b10660","","","0.71073","MoKα","","0.0923","0.0466","","","0.0639","0.0779","","","","","","1.045","","","","has coordinates","241461","2020-10-21","18:00:00",""
"4131199","17.7644","0.0004","11.6635","0.0002","32.0041","0.0007","90","","90","","90","","6631.1","0.2","120","2","120","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C37 H46 N10 -","- C37 H46 N10 -","- C296 H368 N80 -","8","2","","Clarke, Harriet J.; Howe, Ethan N. W.; Wu, Xin; Sommer, Fabian; Yano, Masafumi; Light, Mark E.; Kubik, Stefan; Gale, Philip A.","Transmembrane Fluoride Transport: Direct Measurement and Selectivity Studies.","Journal of the American Chemical Society","2016","138","50","16515","16522","10.1021/jacs.6b10694","","x-ray","0.71073","MoKα","","0.0731","0.0514","","","0.1123","0.1228","","","","","","1.031","","","","has coordinates","241462","2020-10-21","18:00:00",""
"4131200","13.5283","0.0007","22.8407","0.0008","18.0121","0.0008","90","","109.545","0.005","90","","5245","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H82 F N11 -","- C53 H82 F N11 -","- C212 H328 F4 N44 -","4","1","","Clarke, Harriet J.; Howe, Ethan N. W.; Wu, Xin; Sommer, Fabian; Yano, Masafumi; Light, Mark E.; Kubik, Stefan; Gale, Philip A.","Transmembrane Fluoride Transport: Direct Measurement and Selectivity Studies.","Journal of the American Chemical Society","2016","138","50","16515","16522","10.1021/jacs.6b10694","","x-ray","0.71073","MoKα","","0.1702","0.0869","","","0.1979","0.2378","","","","","","1.018","","","","has coordinates,has disorder","241464","2020-10-21","18:00:00",""
"4131201","13.5356","0.0002","22.6654","0.0004","18.2173","0.0003","90","","109.617","0.001","90","","5264.49","0.15","120","2","120","2","","","","","","","Masafumi Yano","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H82 Cl N11 -","- C53 H82 Cl N11 -","- C212 H328 Cl4 N44 -","4","1","","Clarke, Harriet J.; Howe, Ethan N. W.; Wu, Xin; Sommer, Fabian; Yano, Masafumi; Light, Mark E.; Kubik, Stefan; Gale, Philip A.","Transmembrane Fluoride Transport: Direct Measurement and Selectivity Studies.","Journal of the American Chemical Society","2016","138","50","16515","16522","10.1021/jacs.6b10694","","","0.71073","MoKα","","0.0908","0.0584","","","0.1473","0.1653","","","","","","1.029","","","","has coordinates","241465","2020-10-21","18:00:00",""
"4131202","11.5405","0.0003","20.3342","0.0004","20.4173","0.0005","117.361","0.002","97.175","0.002","90.5504","0.0018","4209.71","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H60 Cs F N10 O2 -","- C42 H60 Cs F N10 O2 -","- C168 H240 Cs4 F4 N40 O8 -","4","2","","Clarke, Harriet J.; Howe, Ethan N. W.; Wu, Xin; Sommer, Fabian; Yano, Masafumi; Light, Mark E.; Kubik, Stefan; Gale, Philip A.","Transmembrane Fluoride Transport: Direct Measurement and Selectivity Studies.","Journal of the American Chemical Society","2016","138","50","16515","16522","10.1021/jacs.6b10694","","x-ray","0.71073","MoKα","","0.0697","0.0532","","","0.1229","0.1312","","","","","","1.027","","","","has coordinates,has disorder","241466","2020-10-21","18:00:00",""
"4131203","44.997","0.018","11.379","0.004","22.258","0.009","90","","95.284","0.006","90","","11348","8","90","2","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C84Ad","","","- C106 H22 Cl4 -","- C106 H22 Cl4 -","- C848 H176 Cl32 -","8","1","","Yamada, Michio; Tanabe, Yukiko; Dang, Jing-Shuang; Sato, Satoru; Mizorogi, Naomi; Hachiya, Makoto; Suzuki, Mitsuaki; Abe, Tsuneyuki; Kurihara, Hiroki; Maeda, Yutaka; Zhao, Xiang; Lian, Yongfu; Nagase, Shigeru; Akasaka, Takeshi","D<sub>2d</sub>(23)-C<sub>84</sub> versus Sc<sub>2</sub>C<sub>2</sub>@D<sub>2d</sub>(23)-C<sub>84</sub>: Impact of Endohedral Sc<sub>2</sub>C<sub>2</sub> Doping on Chemical Reactivity in the Photolysis of Diazirine.","Journal of the American Chemical Society","2016","138","50","16523","16532","10.1021/jacs.6b10751","","x-ray","0.6889","synchrotron","","0.1177","0.0474","","","0.0978","0.1093","","","","","","0.766","","","","has coordinates,has disorder","241467","2020-10-21","18:00:00",""
"4131204","11.2973","0.0002","14.9219","0.0003","16.4784","0.0003","89.057","0.001","76.546","0.001","74.112","0.001","2595.13","0.09","90","","90","","","","","","","","","5","P -1","-P 1","2","Sc2C2@D2d(23)-C84(Ad)","","","- C102.2 H17.68 Cl1.84 S1.32 Sc2 -","- C102.18 H17.68 Cl1.84 S1.32 Sc2 -","- C204.36 H35.36 Cl3.68 S2.64 Sc4 -","2","1","","Yamada, Michio; Tanabe, Yukiko; Dang, Jing-Shuang; Sato, Satoru; Mizorogi, Naomi; Hachiya, Makoto; Suzuki, Mitsuaki; Abe, Tsuneyuki; Kurihara, Hiroki; Maeda, Yutaka; Zhao, Xiang; Lian, Yongfu; Nagase, Shigeru; Akasaka, Takeshi","D<sub>2d</sub>(23)-C<sub>84</sub> versus Sc<sub>2</sub>C<sub>2</sub>@D<sub>2d</sub>(23)-C<sub>84</sub>: Impact of Endohedral Sc<sub>2</sub>C<sub>2</sub> Doping on Chemical Reactivity in the Photolysis of Diazirine.","Journal of the American Chemical Society","2016","138","50","16523","16532","10.1021/jacs.6b10751","","","0.71073","MoKα","","0.0966","0.0848","","","0.2301","0.243","","","","","","1.033","","","","has coordinates,has disorder","241468","2020-10-21","18:00:00",""
"4131205","8.9976","0.0003","12.5054","0.0004","24.0168","0.0005","94.504","0.002","99.812","0.002","109.967","0.003","2475.32","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H44 Cl2 N2 O6 Pd -","- C50 H44 Cl2 N2 O6 Pd -","- C100 H88 Cl4 N4 O12 Pd2 -","2","1","","Yu, Chengyuan; Ma, Lishuang; He, Jiaojiao; Xiang, Junfeng; Deng, Xuebin; Wang, Ying; Chen, Xuebo; Jiang, Hua","Flexible, Linear Chains Act as Baffles To Inhibit the Intramolecular Rotation of Molecular Turnstiles.","Journal of the American Chemical Society","2016","138","49","15849","15852","10.1021/jacs.6b10816","","x-ray","1.54184","CuKα","","0.0683","0.0624","","","0.1714","0.1775","","","","","","1.037","","","","has coordinates,has disorder","241469","2020-10-21","18:00:00",""
"4131206","14.7646","0.0004","8.9396","0.0002","16.5413","0.0004","90","","90.091","0.001","90","","2183.28","0.09","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Cl N4 O3 -","- C22 H27 Cl N4 O3 -","- C88 H108 Cl4 N16 O12 -","4","1","","Shi, Hang; Wang, Peng; Suzuki, Shin; Farmer, Marcus E.; Yu, Jin-Quan","Ligand Promoted meta-C-H Chlorination of Anilines and Phenols.","Journal of the American Chemical Society","2016","138","45","14876","14879","10.1021/jacs.6b11055","","x-ray","1.54178","CuKα","","0.0382","0.037","","","0.0908","0.0915","","","","","","1.063","","","","has coordinates","241470","2020-10-21","18:00:00",""
"4131207","32.5352","0.0011","32.5352","0.0011","30.2469","0.001","90","","90","","120","","27728","1.6","120","2","120","2","","","","","","","","5","P -6 m 2","P -6 2","187","{Ni24(TC4A-SO2)6(TDC)12(H2O)6}","","","- C312 H300 Ni24 O126 S36 -","- C312 H144 Ni24 O126 S36 -","- C312 H144 Ni24 O126 S36 -","1","0.0833333","","Wang, Shentang; Gao, Xiaohui; Hang, Xinxin; Zhu, Xiaofei; Han, Haitao; Liao, Wuping; Chen, Wei","Ultrafine Pt Nanoclusters Confined in a Calixarene-Based {Ni<sub>24</sub>} Coordination Cage for High-Efficient Hydrogen Evolution Reaction.","Journal of the American Chemical Society","2016","138","50","16236","16239","10.1021/jacs.6b11218","","","1.54178","CuKα","","0.0759","0.0743","","","0.1889","0.1905","","","","","","1.08","","","","has coordinates","241471","2020-10-21","18:00:00",""
"4131208","38.513","0.008","22.18","0.004","27.38","0.006","90","","102.49","0.03","90","","22835","8","190","2","190","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","{Co12 (TC4A-SO2)3 (TDC)6 Cl3}","","","- C156 H144 Cl3 Co12 O60 S18 -","- C156 H144 Cl3 Co12 O60 S18 -","- C624 H576 Cl12 Co48 O240 S72 -","4","0.5","","Wang, Shentang; Gao, Xiaohui; Hang, Xinxin; Zhu, Xiaofei; Han, Haitao; Liao, Wuping; Chen, Wei","Ultrafine Pt Nanoclusters Confined in a Calixarene-Based {Ni<sub>24</sub>} Coordination Cage for High-Efficient Hydrogen Evolution Reaction.","Journal of the American Chemical Society","2016","138","50","16236","16239","10.1021/jacs.6b11218","","","0.71073","MoKα","","0.103","0.0651","","","0.165","0.1826","","","","","","0.986","","","","has coordinates","241472","2020-10-21","18:00:00",""
"4131209","6.8167","0.0003","14.7936","0.0006","15.5874","0.0006","90","","90","","90","","1571.89","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N -","- C21 H19 N -","- C84 H76 N4 -","4","1","","Jiao, Zhiwei; Chee, Kwok Wei; Zhou, Jianrong Steve","Palladium-Catalyzed Asymmetric α-Arylation of Alkylnitriles.","Journal of the American Chemical Society","2016","138","50","16240","16243","10.1021/jacs.6b11610","","","1.54178","CuKα","","0.0534","0.053","","","0.1302","0.1309","","","","","","1.18","","","","has coordinates","241473","2020-10-21","18:00:00",""
"4131210","12.0712","0.0018","13.679","0.002","15.741","0.002","81.46","0.003","84.332","0.004","73.752","0.003","2463.2","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H32 O6 -","- C30 H32 O6 -","- C120 H128 O24 -","4","2","","Sato, Hiroki; Bender, Matthias; Chen, Weijie; Krische, Michael J.","Diols, α-Ketols, and Diones as 2<sub>2π</sub> Components in [2+2+2] Cycloadditions of 1,6-Diynes via Ruthenium(0)-Catalyzed Transfer Hydrogenation.","Journal of the American Chemical Society","2016","138","50","16244","16247","10.1021/jacs.6b11746","","","0.71073","MoKα","","0.073","0.0521","","","0.117","0.1268","","","","","","1.045","","","","has coordinates,has disorder","241474","2020-10-21","18:00:00",""
"4131211","23.8752","0.0008","12.5466","0.0004","29.7667","0.001","90","","100.702","0.003","90","","8761.6","0.5","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C53 H48 O6 P2 Ru -","- C53 H48 O6 P2 Ru -","- C424 H384 O48 P16 Ru8 -","8","1","","Sato, Hiroki; Bender, Matthias; Chen, Weijie; Krische, Michael J.","Diols, α-Ketols, and Diones as 2<sub>2π</sub> Components in [2+2+2] Cycloadditions of 1,6-Diynes via Ruthenium(0)-Catalyzed Transfer Hydrogenation.","Journal of the American Chemical Society","2016","138","50","16244","16247","10.1021/jacs.6b11746","","","1.54184","CuKα","","0.0489","0.0478","","","0.1318","0.134","","","","","","1.023","","","","has coordinates","241475","2020-10-21","18:00:00",""
"4131212","36.907","0.004","19.699","0.002","20.897","0.002","90","","117.035","0.001","90","","13533","2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C52 H108 Si13 -","- C52 H108 Si13 -","- C416 H864 Si104 -","8","1","","Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki","Pentasila-1,4-diene: Homoconjugation between Si═Si Double Bonds via a SiMe(2) Unit.","Journal of the American Chemical Society","2017","139","1","99","102","10.1021/jacs.6b11912","","","0.71073","MoKα","","0.0345","0.0297","","","0.0805","0.0879","","","","","","1.056","","","","has coordinates,has disorder","241476","2020-10-21","18:00:00",""
"4131213","9.7545","0.0017","24.247","0.004","16.831","0.003","90","","96.034","0.002","90","","3958.8","1.2","173","2","173","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C54 H114 Si14 -","- C54 H114 Si14 -","- C108 H228 Si28 -","2","0.5","","Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki","Pentasila-1,4-diene: Homoconjugation between Si═Si Double Bonds via a SiMe(2) Unit.","Journal of the American Chemical Society","2017","139","1","99","102","10.1021/jacs.6b11912","","","0.71073","MoKα","","0.0805","0.0672","","","0.1797","0.1867","","","","","","1.064","","","","has coordinates","241476","2020-10-21","18:00:00",""
"4131214","11.439","0.0012","11.5269","0.0012","16.3097","0.0017","76.425","0.001","84.285","0.001","61.813","0.001","1842.4","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H60 Si7 -","- C28 H60 Si7 -","- C56 H120 Si14 -","2","1","","Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki","Pentasila-1,4-diene: Homoconjugation between Si═Si Double Bonds via a SiMe(2) Unit.","Journal of the American Chemical Society","2017","139","1","99","102","10.1021/jacs.6b11912","","","0.71073","MoKα","","0.0284","0.0268","","","0.0712","0.0728","","","","","","1.04","","","","has coordinates","241476","2020-10-21","18:00:00",""
"4131215","14.701","0.002","15.065","0.002","22.31","0.003","90","","105.87","0.002","90","","4752.7","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H76 K O5 Si6 -","- C35 H76 K O5 Si6 -","- C140 H304 K4 O20 Si24 -","4","1","","Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki","Pentasila-1,4-diene: Homoconjugation between Si═Si Double Bonds via a SiMe(2) Unit.","Journal of the American Chemical Society","2017","139","1","99","102","10.1021/jacs.6b11912","","","0.71073","MoKα","","0.0385","0.0296","","","0.0725","0.0788","","","","","","1.049","","","","has coordinates","241476","2020-10-21","18:00:00",""
"4131216","20.2103","0.0014","8.9161","0.0006","20.7174","0.0014","90","","99.885","0.002","90","","3677.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H51 Cl3 Si6 -","- C25 H51 Cl3 Si6 -","- C100 H204 Cl12 Si24 -","4","1","","Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki","Pentasila-1,4-diene: Homoconjugation between Si═Si Double Bonds via a SiMe(2) Unit.","Journal of the American Chemical Society","2017","139","1","99","102","10.1021/jacs.6b11912","","","0.71073","MoKα","","0.0389","0.0299","","","0.073","0.076","","","","","","1.051","","","","has coordinates","241476","2020-10-21","18:00:00",""
"4131217","15.8812","0.0008","19.5634","0.001","22.8793","0.0012","90","","90","","90","","7108.4","0.6","100","0.2","100","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C85.24 H72.7 Cl4.76 Ir N2 O6.74 P2 -","- C85.235 H72.705 Cl4.765 Ir N2 O6.745 P2 -","- C340.94 H290.82 Cl19.06 Ir4 N8 O26.98 P8 -","4","1","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","x-ray","0.71073","MoKα","","0.0292","0.027","","","0.0589","0.0596","","","","","","1.058","","","","has coordinates,has disorder","241477","2020-10-21","18:00:00",""
"4131218","11.1166","0.0006","22.3594","0.0011","15.6267","0.0009","90","","91.739","0.002","90","","3882.4","0.4","100","0.2","100","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C82.15 H62.62 Cl9.53 Ir N2 O5.58 P2 -","- C82.1576 H62.631 Cl9.526 Ir N2 O5.5789 P2 -","- C164.315 H125.262 Cl19.052 Ir2 N4 O11.1578 P4 -","2","1","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","x-ray","0.71073","MoKα","","0.0389","0.0351","","","0.0881","0.0897","","","","","","1.016","","","","has coordinates,has disorder","241477","2020-10-21","18:00:00",""
"4131219","15.7403","0.0019","17.473","0.002","18.238","0.002","91.892","0.003","108.143","0.003","115.526","0.002","4218.8","0.9","100","0.2","100","0.2","","","","","","","","9","P -1","-P 1","2","","","","- C83 H57 Cl16 F3 Ir N3 O9 P2 S -","- C83 H57 Cl16 F3 Ir N3 O9 P2 S -","- C166 H114 Cl32 F6 Ir2 N6 O18 P4 S2 -","2","1","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","","0.71073","MoKα","","0.0514","0.0397","","","0.0886","0.0945","","","","","","1.043","","","","has coordinates,has disorder","241477","2020-10-21","18:00:00",""
"4131220","15.3515","0.0018","21.677","0.003","8.8389","0.0009","90","","90","","90","","2941.4","0.6","100","0.2","100","0.2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C68 H44 Cl Ir N2 O4 P2 -","- C68 H44 Cl Ir N2 O4 P2 -","- C136 H88 Cl2 Ir2 N4 O8 P4 -","2","0.5","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","x-ray","0.71073","MoKα","","0.0258","0.0246","","","0.068","0.0686","","","","","","1.104","","","","has coordinates","241477","2020-10-21","18:00:00",""
"4131221","32.9074","0.0006","32.9074","0.0006","17.7716","0.0004","90","","90","","120","","16666.5","0.6","100","0.2","100","0.2","","","","","","","","7","P 32","P 32","145","","","","- C224 H164 Cl39 Ir3 N6 O20 P6 -","- C224 H164 Cl39 Ir3 N6 O20 P6 -","- C672 H492 Cl117 Ir9 N18 O60 P18 -","3","1","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","x-ray","1.54178","CuKα","","0.062","0.0579","","","0.1523","0.1558","","","","","","1.202","","","","has coordinates,has disorder","241477","2020-10-21","18:00:00",""
"4131222","12.0233","0.0001","7.5855","0.0001","13.9981","0.0001","90","","96.03","0.001","90","","1269.6","0.02","173.2","0.1","173.2","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H22 N O2 P -","- C34 H22 N O2 P -","- C68 H44 N2 O4 P2 -","2","1","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","x-ray","1.54184","CuKα","","0.0236","0.0233","","","0.0627","0.063","","","","","","1.035","","","","has coordinates,has disorder","241477","2020-10-21","18:00:00",""
"4131223","27.1225","0.0006","17.0996","0.0005","17.6908","0.0004","90","","106.759","0.001","90","","7856.2","0.3","173","2","173","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","Th@C82/NiOEP/1.5bz/CS2","","","- C128 H53 I0 N4 Ni O0 S2 Th -","- C128 H53 N4 Ni S2 Th0.9472 -","- C512 H212 N16 Ni4 S8 Th3.7888 -","4","0.5","","Wang, Yaofeng; Morales-Martínez, Roser; Zhang, Xingxing; Yang, Wei; Wang, Yaxing; Rodríguez-Fortea, Antonio; Poblet, Josep M.; Feng, Lai; Wang, Shuao; Chen, Ning","Unique Four-Electron Metal-to-Cage Charge Transfer of Th to a C<sub>82</sub> Fullerene Cage: Complete Structural Characterization of Th@C<sub>3v</sub>(8)-C<sub>82</sub>.","Journal of the American Chemical Society","2017","139","14","5110","5116","10.1021/jacs.6b13383","","","1.54178","CuKα","","0.0507","0.0479","","","0.13","0.1332","","","","","","1.035","","","","has coordinates,has disorder","241478","2020-10-21","18:00:00",""
"4131224","11.429","0.002","25.345","0.005","18.453","0.003","90","","93.369","0.002","90","","5336","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LCuOH","","","- C47 H76 Cu N4 O4 -","- C47 H76 Cu N4 O4 -","- C188 H304 Cu4 N16 O16 -","4","1","","Spaeth, Andrew D.; Gagnon, Nicole L.; Dhar, Debanjan; Yee, Gereon M.; Tolman, William B.","Determination of the Cu(III)-OH Bond Distance by Resonance Raman Spectroscopy Using a Normalized Version of Badger's Rule.","Journal of the American Chemical Society","2017","139","12","4477","4485","10.1021/jacs.7b00210","","","0.71073","MoKα","","0.1024","0.0872","","","0.2013","0.2069","","","","","","1.157","","","","has coordinates,has disorder","241479","2020-10-21","18:00:00",""
"4131225","10.938","0.0003","13.7755","0.0004","24.4883","0.0007","90","","90","","90","","3689.81","0.18","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C42 H41 B F4 N3 O P Pd -","- C42 H41 B F4 N3 O P Pd -","- C168 H164 B4 F16 N12 O4 P4 Pd4 -","4","1","","Guo, Chang; Janssen-Müller, Daniel; Fleige, Mirco; Lerchen, Andreas; Daniliuc, Constantin G.; Glorius, Frank","Mechanistic Studies on a Cooperative NHC Organocatalysis/Palladium Catalysis System: Uncovering Significant Lessons for Mixed Chiral Pd(NHC)(PR<sub>3</sub>) Catalyst Design.","Journal of the American Chemical Society","2017","139","12","4443","4451","10.1021/jacs.7b00462","","","1.54178","CuKα","","0.048","0.0421","","","0.0917","0.0942","","","","","","1.044","","","","has coordinates,has disorder","241480","2020-10-21","18:00:00",""
"4131226","22.639","0.002","11.4146","0.0011","40.733","0.003","90","","91.374","0.003","90","","10523","1.6","93","","93","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","pillar[5]-quinone_hexane","","","- C57 H74 O10 -","- C57 H74 O10 -","- C456 H592 O80 -","8","2","","Ogoshi, Tomoki; Shimada, Yasuo; Sakata, Yoko; Akine, Shigehisa; Yamagishi, Tada-Aki","Alkane-Shape-Selective Vapochromic Behavior Based on Crystal-State Host-Guest Complexation of Pillar[5]arene Containing One Benzoquinone Unit.","Journal of the American Chemical Society","2017","139","16","5664","5667","10.1021/jacs.7b00631","","","0.71073","MoKα","","0.0918","0.0658","","","0.1586","0.1823","","","","","","1.071","","","","has coordinates,has disorder","241481","2020-10-21","18:00:00",""
"4131227","13.5835","0.0011","13.5835","0.0011","8.6796","0.0013","90","","90","","120","","1386.9","0.3","100","","99.99","","","","","","","","","6","P -3 1 m","-P 3 2","162","","(Cp2Co)(Me2NH2)[Fe2(CA)3]","","- C11 H8 Cl3 Fe N O6 -","- C10.9998 H7.9992 Cl3 Fe N0.9999 O6 -","- C21.9996 H15.9984 Cl6 Fe2 N1.9998 O12 -","2","0.166667","","DeGayner, Jordan A.; Jeon, Ie-Rang; Sun, Lei; Dincă, Mircea; Harris, T. David","2D Conductive Iron-Quinoid Magnets Ordering up to T<sub>c</sub> = 105 K via Heterogenous Redox Chemistry.","Journal of the American Chemical Society","2017","139","11","4175","4184","10.1021/jacs.7b00705","","","1.54178","CuKα","","0.1602","0.1222","","","0.2762","0.3189","","","","","","1.105","","","","has coordinates","241482","2020-10-21","18:00:00",""
"4131228","8.4555","0.0003","12.6145","0.0004","14.6274","0.0005","105.622","0.002","90.044","0.002","100.517","0.002","1475.26","0.09","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H24 F3 Mn N4 O8 S2 -","- C28 H24 F3 Mn N4 O8 S2 -","- C56 H48 F6 Mn2 N8 O16 S4 -","2","1","","G, Upendar Reddy; Axthelm, Jörg; Hoffmann, Patrick; Taye, Nandaraj; Gläser, Steve; Görls, Helmar; Hopkins, Samantha L.; Plass, Winfried; Neugebauer, Ute; Bonnet, Sylvestre; Schiller, Alexander","Co-Registered Molecular Logic Gate with a CO-Releasing Molecule Triggered by Light and Peroxide.","Journal of the American Chemical Society","2017","139","14","4991","4994","10.1021/jacs.7b00867","","","0.71073","MoKα","","0.0798","0.064","","","0.1207","0.13","","","","","","1.145","","","","has coordinates","241483","2020-10-21","18:00:00",""
"4131229","18.8866","0.0006","11.3425","0.0005","11.6682","0.0006","90","","128.13","0.002","90","","1966.2","0.16","133","2","133","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17 H15 F3 Mn N3 O6 S -","- C17 H15 F3 Mn N3 O6 S -","- C68 H60 F12 Mn4 N12 O24 S4 -","4","1","","G, Upendar Reddy; Axthelm, Jörg; Hoffmann, Patrick; Taye, Nandaraj; Gläser, Steve; Görls, Helmar; Hopkins, Samantha L.; Plass, Winfried; Neugebauer, Ute; Bonnet, Sylvestre; Schiller, Alexander","Co-Registered Molecular Logic Gate with a CO-Releasing Molecule Triggered by Light and Peroxide.","Journal of the American Chemical Society","2017","139","14","4991","4994","10.1021/jacs.7b00867","","","0.71073","MoKα","","0.062","0.0574","","","0.1307","0.1324","","","","","","1.126","","","","has coordinates","241483","2020-10-21","18:00:00",""
"4131230","20.5502","0.0007","7.9367","0.0003","37.7229","0.0014","90","","90","","90","","6152.6","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H30 N4 O -","- C42 H30 N4 O -","- C336 H240 N32 O8 -","8","1","","Tsujimoto, Hiroyuki; Ha, Dong-Gwang; Markopoulos, Georgios; Chae, Hyun Sik; Baldo, Marc A.; Swager, Timothy M.","Thermally Activated Delayed Fluorescence and Aggregation Induced Emission with Through-Space Charge Transfer.","Journal of the American Chemical Society","2017","139","13","4894","4900","10.1021/jacs.7b00873","","","0.71073","MoKα","","0.0596","0.0465","","","0.1227","0.1327","","","","","","1.052","","","","has coordinates","241484","2020-10-21","18:00:00",""
"4131231","10.6382","0.0004","17.4039","0.0007","18.8993","0.0007","79.892","0.001","87.553","0.001","77.84","0.001","3367.5","0.2","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","Ph2PPrPDIMnH","","","- C39 H42 Mn N3 P2 -","- C39 H42 Mn N3 P2 -","- C156 H168 Mn4 N12 P8 -","4","2","","Mukhopadhyay, Tufan K.; Rock, Christopher L.; Hong, Mannkyu; Ashley, Daniel C.; Groy, Thomas L.; Baik, Mu-Hyun; Trovitch, Ryan J.","Mechanistic Investigation of Bis(imino)pyridine Manganese Catalyzed Carbonyl and Carboxylate Hydrosilylation.","Journal of the American Chemical Society","2017","139","13","4901","4915","10.1021/jacs.7b00879","","","0.71073","MoKα","","0.0641","0.0416","","","0.0883","0.0967","","","","","","1.029","","","","has coordinates","241485","2020-10-21","18:00:00",""
"4131232","14.5008","0.0008","14.7881","0.0009","15.1141","0.0009","92.0219","0.0009","115.433","0.0008","109.457","0.0009","2698.6","0.3","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","2Ph2PPrPDIMnOCPhCF3","","","- C118 H140 F6 Mn2 N6 O8 P4 -","- C118 H140 F6 Mn2 N6 O8 P4 -","- C118 H140 F6 Mn2 N6 O8 P4 -","1","0.5","","Mukhopadhyay, Tufan K.; Rock, Christopher L.; Hong, Mannkyu; Ashley, Daniel C.; Groy, Thomas L.; Baik, Mu-Hyun; Trovitch, Ryan J.","Mechanistic Investigation of Bis(imino)pyridine Manganese Catalyzed Carbonyl and Carboxylate Hydrosilylation.","Journal of the American Chemical Society","2017","139","13","4901","4915","10.1021/jacs.7b00879","","","0.71073","MoKα","","0.0816","0.0529","","","0.1273","0.1417","","","","","","1.027","","","","has coordinates,has disorder","241485","2020-10-21","18:00:00",""
"4131233","7.5646","0.0003","12.0747","0.0007","16.7895","0.0008","106.725","0.005","98.214","0.004","98.25","0.004","1425.78","0.13","100","1","100","1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C28 H22 Br2 N4 O2.66 S2 -","- C28 H22 Br2 N4 O2.664 S2 -","- C56 H44 Br4 N8 O5.328 S4 -","2","1","","Woodward, Alexis N.; Kolesar, Justin M.; Hall, Sara R.; Saleh, Nemah-Allah; Jones, Daniel S.; Walter, Michael G.","Thiazolothiazole Fluorophores Exhibiting Strong Fluorescence and Viologen-Like Reversible Electrochromism.","Journal of the American Chemical Society","2017","139","25","8467","8473","10.1021/jacs.7b01005","","x-ray","0.71073","MoKα","","0.0712","0.0506","","","0.1209","0.1335","","","","","","1.027","","","","has coordinates,has disorder","241486","2020-10-21","18:00:00",""
"4131234","7.5193","0.0002","18.3049","0.0005","9.5705","0.0003","90","","107.611","0.001","90","","1255.55","0.06","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 B Br F N O2 -","- C12 H12 B Br F N O2 -","- C48 H48 B4 Br4 F4 N4 O8 -","4","1","","Axthelm, Jörg; Askes, Sven H. C.; Elstner, Martin; G, Upendar Reddy; Görls, Helmar; Bellstedt, Peter; Schiller, Alexander","Fluorinated Boronic Acid-Appended Pyridinium Salts and <sup>19</sup>F NMR Spectroscopy for Diol Sensing.","Journal of the American Chemical Society","2017","139","33","11413","11420","10.1021/jacs.7b01167","","","0.71073","MoKα","","0.0235","0.0202","","","0.0475","0.0498","","","","","","1.053","","","","has coordinates","241487","2020-10-21","18:00:00",""
"4131235","6.5845","0.0003","7.2237","0.0003","15.3914","0.0006","82.136","0.002","79.133","0.002","89.205","0.003","712.14","0.05","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H12 B Br F3 N O2 -","- C13 H12 B Br F3 N O2 -","- C26 H24 B2 Br2 F6 N2 O4 -","2","1","","Axthelm, Jörg; Askes, Sven H. C.; Elstner, Martin; G, Upendar Reddy; Görls, Helmar; Bellstedt, Peter; Schiller, Alexander","Fluorinated Boronic Acid-Appended Pyridinium Salts and <sup>19</sup>F NMR Spectroscopy for Diol Sensing.","Journal of the American Chemical Society","2017","139","33","11413","11420","10.1021/jacs.7b01167","","","0.71073","MoKα","","0.0311","0.029","","","0.0714","0.0723","","","","","","1.056","","","","has coordinates","241487","2020-10-21","18:00:00",""
"4131236","7.5296","0.0001","17.754","0.0004","9.5971","0.0002","90","","103.537","0.001","90","","1247.3","0.04","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 B Br F N O2 -","- C12 H12 B Br F N O2 -","- C48 H48 B4 Br4 F4 N4 O8 -","4","1","","Axthelm, Jörg; Askes, Sven H. C.; Elstner, Martin; G, Upendar Reddy; Görls, Helmar; Bellstedt, Peter; Schiller, Alexander","Fluorinated Boronic Acid-Appended Pyridinium Salts and <sup>19</sup>F NMR Spectroscopy for Diol Sensing.","Journal of the American Chemical Society","2017","139","33","11413","11420","10.1021/jacs.7b01167","","","0.71073","MoKα","","0.031","0.0246","","","0.0486","0.0514","","","","","","1.087","","","","has coordinates","241487","2020-10-21","18:00:00",""
"4131237","18.901","0.004","11.782","0.002","23.68","0.005","90","","90","","90","","5273.3","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H14 Br4 N2 Pb -","- C4 H14 Br4 N2 Pb -","- C64 H224 Br64 N32 Pb16 -","16","2","","Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Wasielewski, Michael R.; Kanatzidis, Mercouri G.","White-Light Emission and Structural Distortion in New Corrugated Two-Dimensional Lead Bromide Perovskites.","Journal of the American Chemical Society","2017","139","14","5210","5215","10.1021/jacs.7b01312","","","0.71073","MoKα","","0.1366","0.0789","","","0.1415","0.1628","","","","","","1.09","","","","has coordinates","241489","2020-10-21","18:00:00",""
"4131238","17.625","0.004","11.982","0.002","18.724","0.004","90","","90.44","0.03","90","","3954.1","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 Br4 N2 Pb -","- C4 H14 Br4 N2 Pb -","- C48 H168 Br48 N24 Pb12 -","12","3","","Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Wasielewski, Michael R.; Kanatzidis, Mercouri G.","White-Light Emission and Structural Distortion in New Corrugated Two-Dimensional Lead Bromide Perovskites.","Journal of the American Chemical Society","2017","139","14","5210","5215","10.1021/jacs.7b01312","","","0.71073","MoKα","","0.0889","0.0559","","","0.1319","0.1477","","","","","","0.984","","","","has coordinates","241489","2020-10-21","18:00:00",""
"4131239","10.7169","0.0013","11.7355","0.001","12.1266","0.0012","90","","111.534","0.008","90","","1418.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H16 Br4 N2 Pb -","- C5 H16 Br4 N2 Pb -","- C20 H64 Br16 N8 Pb4 -","4","1","","Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Wasielewski, Michael R.; Kanatzidis, Mercouri G.","White-Light Emission and Structural Distortion in New Corrugated Two-Dimensional Lead Bromide Perovskites.","Journal of the American Chemical Society","2017","139","14","5210","5215","10.1021/jacs.7b01312","","","0.71073","MoKα","","0.0522","0.0354","","","0.0599","0.0641","","","","","","1.053","","","","has coordinates","241489","2020-10-21","18:00:00",""
"4131240","41.685","0.008","23.962","0.005","12","0.002","90","","90","","90","","11986","4","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C6 H18 Br4 N2 Pb -","- C6 H18 Br4 N2 Pb -","- C192 H576 Br128 N64 Pb32 -","32","4","","Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Wasielewski, Michael R.; Kanatzidis, Mercouri G.","White-Light Emission and Structural Distortion in New Corrugated Two-Dimensional Lead Bromide Perovskites.","Journal of the American Chemical Society","2017","139","14","5210","5215","10.1021/jacs.7b01312","","","0.71073","MoKα","","0.125","0.0541","","","0.0919","0.1112","","","","","","0.831","","","","has coordinates","241489","2020-10-21","18:00:00",""
"4131241","12.46018","0.00013","12.46018","0.00013","19.9836","0.0003","90","","90","","120","","2686.91","0.06","180","2","180","2","","","","","","","","6","P 61","P 61","169","","","","- C3 H12 Cu3 I3 N6 S3 -","- C3 H12 Cu3 I3 N6 S3 -","- C18 H72 Cu18 I18 N36 S18 -","6","1","","Ye, Senyun; Rao, Haixia; Zhao, Ziran; Zhang, Linjuan; Bao, Hongliang; Sun, Weihai; Li, Yunlong; Gu, Feidan; Wang, Jianqiang; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","A Breakthrough Efficiency of 19.9% Obtained in Inverted Perovskite Solar Cells by Using an Efficient Trap State Passivator Cu(thiourea)I.","Journal of the American Chemical Society","2017","139","22","7504","7512","10.1021/jacs.7b01439","","","0.71073","MoKα","","0.0516","0.0506","","","0.1293","0.1298","","","","","","1.122","","","","has coordinates","241490","2020-10-21","18:00:00",""
"4131242","8.96","0.0003","18.1329","0.0006","9.739","0.0003","90","","92.047","0.003","90","","1581.29","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16.5 H27 Cl O2 -","- C16.5 H27 Cl O2 -","- C66 H108 Cl4 O8 -","4","2","","Hu, Pengfei; Snyder, Scott A.","Enantiospecific Total Synthesis of the Highly Strained (-)-Presilphiperfolan-8-ol via a Pd-Catalyzed Tandem Cyclization.","Journal of the American Chemical Society","2017","139","14","5007","5010","10.1021/jacs.7b01454","","","1.54178","CuKα","","0.0817","0.046","","","0.0803","0.0915","","","","","","1.004","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4131243","14.8148","0.0009","17.1489","0.001","17.8927","0.001","110.132","0.004","91.24","0.004","106.843","0.004","4047.5","0.4","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C88.4 H84 Cl0.6 N9 O10 Ru -","- C88.4 H84 Cl0.6 N9 O10 Ru -","- C176.8 H168 Cl1.2 N18 O20 Ru2 -","2","1","","Kuss-Petermann, Martin; Orazietti, Margherita; Neuburger, Markus; Hamm, Peter; Wenger, Oliver S.","Intramolecular Light-Driven Accumulation of Reduction Equivalents by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2017","139","14","5225","5232","10.1021/jacs.7b01605","","","1.5418","CuKα","","0.0998","0.0674","","0.209","0.1781","0.2088","","","","","","1.0222","","","","has coordinates,has disorder","241492","2020-10-21","18:00:00",""
"4131244","11.2322","0.0005","11.2322","0.0005","11.2322","0.0005","90","","90","","90","","1417.08","0.11","298","2","298","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Dicesium Silver Bismuth Hexabromide","","- Ag Bi Br6 Cs2 -","- Ag Bi Br6 Cs2 -","- Ag4 Bi4 Br24 Cs8 -","4","0.0208333","","Slavney, Adam H.; Leppert, Linn; Bartesaghi, Davide; Gold-Parker, Aryeh; Toney, Michael F.; Savenije, Tom J.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Defect-Induced Band-Edge Reconstruction of a Bismuth-Halide Double Perovskite for Visible-Light Absorption.","Journal of the American Chemical Society","2017","139","14","5015","5018","10.1021/jacs.7b01629","","x-ray","0.6888","synchrotron","","0.0109","0.0109","","","0.0224","0.0224","","","","","","1.507","","","","has coordinates","241493","2020-10-21","18:00:00",""
"4131245","11.8941","0.0005","11.8941","0.0005","11.8941","0.0005","90","","90","","90","","1682.65","0.12","298","2","298","","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C2 H12 Ag0.2 Bi Br6 N2 Tl0.8 -","- C2.0004 Ag0.199 Bi Br6 N2.0004 Tl0.8 -","- C8.0016 Ag0.796 Bi4 Br24 N8.0016 Tl3.2 -","4","0.0208333","","Slavney, Adam H.; Leppert, Linn; Bartesaghi, Davide; Gold-Parker, Aryeh; Toney, Michael F.; Savenije, Tom J.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Defect-Induced Band-Edge Reconstruction of a Bismuth-Halide Double Perovskite for Visible-Light Absorption.","Journal of the American Chemical Society","2017","139","14","5015","5018","10.1021/jacs.7b01629","","x-ray","0.6888","synchrotron","","0.031","0.0299","","","0.0728","0.0736","","","","","","1.2","","","","has coordinates,has disorder","241494","2020-10-21","18:00:00",""
"4131246","11.9173","0.001","11.9173","0.001","11.9173","0.001","90","","90","","90","","1692.5","0.2","296","2","296.15","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","Bis(methylammonium) Thallium(I) Bismuth Hexabromide","","- C2 H12 Bi Br6 N2 Tl -","- C2.0004 Bi Br6 N2.0004 Tl -","- C8.0016 Bi4 Br24 N8.0016 Tl4 -","4","0.0208333","","Slavney, Adam H.; Leppert, Linn; Bartesaghi, Davide; Gold-Parker, Aryeh; Toney, Michael F.; Savenije, Tom J.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Defect-Induced Band-Edge Reconstruction of a Bismuth-Halide Double Perovskite for Visible-Light Absorption.","Journal of the American Chemical Society","2017","139","14","5015","5018","10.1021/jacs.7b01629","","x-ray","0.71073","MoKα","","0.0429","0.0383","","","0.093","0.0969","","","","","","1.219","","","","has coordinates,has disorder","241495","2020-10-21","18:00:00",""
"4131247","12.5921","0.0003","5.3064","0.0001","22.4242","0.0005","90","","99.002","0.001","90","","1479.9","0.06","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","KEP-2-091","KEP-2-091","","- C17 H16 F3 N O -","- C17 H16 F3 N O -","- C68 H64 F12 N4 O4 -","4","2","","Poremba, Kelsey E.; Kadunce, Nathaniel T.; Suzuki, Naoyuki; Cherney, Alan H.; Reisman, Sarah E.","Nickel-Catalyzed Asymmetric Reductive Cross-Coupling To Access 1,1-Diarylalkanes.","Journal of the American Chemical Society","2017","139","16","5684","5687","10.1021/jacs.7b01705","","","1.54178","CuKα","","0.0488","0.039","","","0.0826","0.0872","","","","","","1.028","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4131248","9.8642","0.0007","12.484","0.0007","15.7552","0.0009","90","","98.445","0.004","90","","1919.1","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 B N O2 -","- C23 H22 B N O2 -","- C92 H88 B4 N4 O8 -","4","1","","Chapin, Brette M.; Metola, Pedro; Vankayala, Sai Lakshmana; Woodcock, H. Lee; Mooibroek, Tiddo J.; Lynch, Vincent M.; Larkin, Joseph D.; Anslyn, Eric V.","Disaggregation is a Mechanism for Emission Turn-On of ortho-Aminomethylphenylboronic Acid-Based Saccharide Sensors.","Journal of the American Chemical Society","2017","139","15","5568","5578","10.1021/jacs.7b01755","","","0.71073","MoKα","","0.0798","0.0483","","","0.1138","0.134","","","","","","1.001","","","","has coordinates","241497","2020-10-21","18:00:00",""
"4131249","17.6869","0.0007","17.5134","0.0007","17.6063","0.0006","90","","90","","90","","5453.7","0.4","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C72 H62 B2 N2 -","- C72 H62 B2 N2 -","- C288 H248 B8 N8 -","4","0.5","","Santos, Willy G.; Budkina, Darya S.; Deflon, Victor M.; Tarnovsky, Alexander N.; Cardoso, Daniel R.; Forbes, Malcolm D. E.","Photoinduced Charge Shifts and Electron Transfer in Viologen-Tetraphenylborate Complexes: Push-Pull Character of the Exciplex.","Journal of the American Chemical Society","2017","139","23","7681","7684","10.1021/jacs.7b01946","","","0.71073","MoKα","","0.0882","0.0513","","","0.1321","0.1556","","","","","","1.042","","","","has coordinates","241498","2020-10-21","18:00:00",""
"4131250","8.9299","0.0008","13.6476","0.0011","21.9545","0.0018","89.957","0.003","83.601","0.003","88.427","0.003","2658","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H60 B2 N4 -","- C64 H60 B2 N4 -","- C128 H120 B4 N8 -","2","1","","Santos, Willy G.; Budkina, Darya S.; Deflon, Victor M.; Tarnovsky, Alexander N.; Cardoso, Daniel R.; Forbes, Malcolm D. E.","Photoinduced Charge Shifts and Electron Transfer in Viologen-Tetraphenylborate Complexes: Push-Pull Character of the Exciplex.","Journal of the American Chemical Society","2017","139","23","7681","7684","10.1021/jacs.7b01946","","","0.71073","MoKα","","0.0844","0.0562","","","0.1673","0.186","","","","","","1.03","","","","has coordinates","241499","2020-10-21","18:00:00",""
"4131251","14.414","0.005","11.965","0.005","32.171","0.005","90","0.005","101.231","0.005","90","0.005","5442","3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl2 N4 Ni O8 S2 -","- C18 H22 Cl2 N4 Ni O8 S2 -","- C144 H176 Cl16 N32 Ni8 O64 S16 -","8","2","","Hong, Dachao; Tsukakoshi, Yuto; Kotani, Hiroaki; Ishizuka, Tomoya; Kojima, Takahiko","Visible-Light-Driven Photocatalytic CO<sub>2</sub> Reduction by a Ni(II) Complex Bearing a Bioinspired Tetradentate Ligand for Selective CO Production.","Journal of the American Chemical Society","2017","139","19","6538","6541","10.1021/jacs.7b01956","","","0.71069","MoKα","","0.0935","0.0678","","","0.1835","0.1959","","","","","","1.053","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4131252","14.6603","0.0004","12.7003","0.0003","17.8348","0.0004","90","","94.2177","0.0011","90","","3311.67","0.14","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl3 P2 Pd Sb -","- C36 H28 Cl3 P2 Pd Sb -","- C144 H112 Cl12 P8 Pd4 Sb4 -","4","1","","Sahu, Sumit; Gabbaï, François P","Photoreductive Elimination of Chlorine from Antimony in an [SbPd]<sup>VII</sup> Complex.","Journal of the American Chemical Society","2017","139","14","5035","5038","10.1021/jacs.7b01977","","","0.71073","MoKα","","0.0389","0.0272","","","0.0568","0.0622","","","","","","1.095","","","","has coordinates","241501","2020-10-21","18:00:00",""
"4131253","13.1833","0.0005","14.0387","0.0005","18.8114","0.0007","90","","90","","90","","3481.5","0.2","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H28 Cl5 P2 Pd Sb -","- C36 H28 Cl5 P2 Pd Sb -","- C144 H112 Cl20 P8 Pd4 Sb4 -","4","1","","Sahu, Sumit; Gabbaï, François P","Photoreductive Elimination of Chlorine from Antimony in an [SbPd]<sup>VII</sup> Complex.","Journal of the American Chemical Society","2017","139","14","5035","5038","10.1021/jacs.7b01977","","","0.71073","MoKα","","0.0484","0.0367","","","0.0742","0.0792","","","","","","1.08","","","","has coordinates","241502","2020-10-21","18:00:00",""
"4131254","12.6573","0.0004","13.9154","0.0003","16.418","0.0003","89.5764","0.0014","84.6591","0.0017","83.2243","0.0019","2859.04","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C55.32 H68 B F15 Fe N2 P4 -","- C55.323 H68 B F15 Fe N2 P4 -","- C110.646 H136 B2 F30 Fe2 N4 P8 -","2","1","","Geri, Jacob B.; Shanahan, James P.; Szymczak, Nathaniel K.","Testing the Push-Pull Hypothesis: Lewis Acid Augmented N<sub>2</sub> Activation at Iron.","Journal of the American Chemical Society","2017","139","16","5952","5956","10.1021/jacs.7b01982","","x-ray","1.54184","CuKα","","0.0609","0.0595","","","0.1592","0.161","","","","","","1.045","","","","has coordinates,has disorder","241503","2020-10-21","18:00:00",""
"4131255","24.2958","0.00009","12.25554","0.00004","27.26129","0.0001","90","","90","","90","","8117.27","0.05","80","","80","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C76 H66 B2 F40 Fe N2 P4 -","- C75.9999 H65.9995 B2 F40 Fe N2 P4 -","- C304 H263.998 B8 F160 Fe4 N8 P16 -","4","1","","Geri, Jacob B.; Shanahan, James P.; Szymczak, Nathaniel K.","Testing the Push-Pull Hypothesis: Lewis Acid Augmented N<sub>2</sub> Activation at Iron.","Journal of the American Chemical Society","2017","139","16","5952","5956","10.1021/jacs.7b01982","","x-ray","1.54184","CuKα","","0.0754","0.0753","","","0.1947","0.1949","","","","","","1.079","","","","has coordinates,has disorder","241503","2020-10-21","18:00:00",""
"4131256","26.3521","0.0003","22.42897","0.00019","35.7607","0.0003","90","","90.7535","0.0008","90","","21134.6","0.3","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65.43 H86.4 B1.6 F19.6 Fe1.6 N6.4 P3.2 -","- C65.4328 H86.4 B1.6 F19.6 Fe1.6 N6.4 P3.2 -","- C654.328 H864 B16 F196 Fe16 N64 P32 -","10","2.5","","Geri, Jacob B.; Shanahan, James P.; Szymczak, Nathaniel K.","Testing the Push-Pull Hypothesis: Lewis Acid Augmented N<sub>2</sub> Activation at Iron.","Journal of the American Chemical Society","2017","139","16","5952","5956","10.1021/jacs.7b01982","","","1.54184","CuKα","","0.0965","0.0855","","","0.231","0.2421","","","","","","1.015","","","","has coordinates,has disorder","241503","2020-10-21","18:00:00",""
"4131257","15.0213","0.001","25.1312","0.0012","28.3846","0.0014","114.492","0.005","98.338","0.005","92.257","0.005","9588.9","1","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C108.9 H90 Cu6 F3.3 O2.71 P6.1 S0.9 -","- C108.901 H90 Cu6 F3.297 O2.703 P6.099 S0.901 -","- C435.604 H360 Cu24 F13.188 O10.812 P24.396 S3.604 -","4","2","","Liu, Shuo; Eberhart, Michael S.; Norton, Jack R.; Yin, Xiaodong; Neary, Michelle C.; Paley, Daniel W.","Cationic Copper Hydride Clusters Arising from Oxidation of (Ph<sub>3</sub>P)<sub>6</sub>Cu<sub>6</sub>H<sub>6</sub>.","Journal of the American Chemical Society","2017","139","23","7685","7688","10.1021/jacs.7b02183","","x-ray","1.54184","CuKα","","0.2022","0.0983","","","0.2187","0.2908","","","","","","0.999","","","","has coordinates,has disorder","241504","2020-10-21","18:00:00",""
"4131258","18.193","0.004","16.401","0.003","46.871","0.009","90","","92.094","0.003","90","","13976","5","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C166 H143 B Cu7 F20 O4 P7 -","- C150 H111 B Cu7 F20 P7 -","- C600 H444 B4 Cu28 F80 P28 -","4","1","","Liu, Shuo; Eberhart, Michael S.; Norton, Jack R.; Yin, Xiaodong; Neary, Michelle C.; Paley, Daniel W.","Cationic Copper Hydride Clusters Arising from Oxidation of (Ph<sub>3</sub>P)<sub>6</sub>Cu<sub>6</sub>H<sub>6</sub>.","Journal of the American Chemical Society","2017","139","23","7685","7688","10.1021/jacs.7b02183","","","0.71073","MoKα","","0.1349","0.0593","","","0.0997","0.1139","","","","","","1.002","","","","has coordinates","241505","2020-10-21","18:00:00",""
"4131259","14.1168","0.001","15.7553","0.0011","17.7494","0.0013","90","","108.704","0.001","90","","3739.2","0.5","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H108 Sn2 -","- C76 H108 Sn2 -","- C152 H216 Sn4 -","2","0.5","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.0348","0.0287","","","0.0665","0.0694","","","","","","1.039","","","","has coordinates,has disorder","241506","2020-10-21","18:00:00",""
"4131260","42.812","0.005","12.9077","0.0014","27.383","0.003","90","","104.88","0.002","90","","14625","3","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C76 H108 Sn2 -","- C76 H108 Sn2 -","- C608 H864 Sn16 -","8","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.1492","0.0625","","","0.1444","0.164","","","","","","1.022","","","","has coordinates,has disorder","241506","2020-10-21","18:00:00",""
"4131261","24.2225","0.0014","11.8023","0.0007","23.2736","0.0014","90","","117.075","0.001","90","","5924.3","0.6","90","2","90.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C67 H86 Sn2 -","- C67 H86 Sn2 -","- C268 H344 Sn8 -","4","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.0469","0.0311","","","0.0803","0.1013","","","","","","1.041","","","","has coordinates","241506","2020-10-21","18:00:00",""
"4131262","10.9056","0.0011","13.3212","0.0013","13.5201","0.0014","109.129","0.0013","100.475","0.0014","92.3398","0.0015","1814.1","0.3","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C84 H112 Sn2 -","- C84 H112 Sn2 -","- C84 H112 Sn2 -","1","0.5","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.07","0.055","","","0.1122","0.1166","","","","","","1.223","","","","has coordinates,has disorder","241506","2020-10-21","18:00:00",""
"4131263","24.8482","0.0003","13.0549","0.0001","30.6387","0.0003","90","","111.726","0.001","90","","9232.9","0.17","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C105 H148 Sn2 -","- C105 H148 Sn2 -","- C420 H592 Sn8 -","4","0.5","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.065","0.0431","","","0.0745","0.0799","","","","","","1.035","","","","has coordinates,has disorder","241506","2020-10-21","18:00:00",""
"4131264","12.2343","0.0004","12.3376","0.0004","13.1415","0.0004","92.9593","0.0012","92.3314","0.0012","108.371","0.0012","1876.6","0.1","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C86 H116 Sn2 -","- C86 H116 Sn2 -","- C86 H116 Sn2 -","1","0.5","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","1.54178","CuKα","","0.0533","0.0506","","","0.1339","0.1359","","","","","","1.035","","","","has coordinates,has disorder","241506","2020-10-21","18:00:00",""
"4131265","11.9437","0.0007","16.5134","0.001","20.8121","0.0013","84.9379","0.0009","88.9163","0.0009","88.8673","0.0009","4087.4","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","[(Ar*)(3,3-dimethylbutyl)(H/OH)Sn-Sn(Ar*).2toluene Ar* = C6H3-2,6(2,4,6-i-Pr3C6H3)2","","","- C92 H127.77 O0.23 Sn2 -","- C92 H127.769 O0.2308 Sn2 -","- C184 H255.538 O0.4616 Sn4 -","2","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.0631","0.0424","","","0.0976","0.1089","","","","","","1.038","","","","has coordinates,has disorder","241506","2020-10-21","18:00:00",""
"4131266","13.467","0.0011","13.5435","0.0011","20.6086","0.0016","100.981","0.001","107.806","0.001","96.11","0.001","3458.3","0.5","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C80 H104 Sn2 -","- C80 H104 Sn2 -","- C160 H208 Sn4 -","2","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.0578","0.0441","","","0.1208","0.1268","","","","","","1.03","","","","has coordinates,has disorder","241506","2020-10-21","18:00:00",""
"4131267","16.9165","0.001","14.5926","0.0008","24.5953","0.0013","90","","95.711","0.002","90","","6041.4","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Sn(C6H3-2,6(2,6-i-Pr2C6H3)2)(CH3)2Sn(C6H3-2,6(2,6-i-Pr2C6H3)2)(CH3).toluene","","","- C69 H88 Sn2 -","- C69 H88 Sn2 -","- C276 H352 Sn8 -","4","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.0445","0.0373","","","0.0912","0.096","","","","","","1.02","","","","has coordinates","241506","2020-10-21","18:00:00",""
"4131268","14.6287","0.0007","18.6066","0.0008","20.5602","0.0007","82.347","0.003","87.749","0.003","88.425","0.004","5540.8","0.4","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C89 H134 N19 O16.5 S2 -","- C89 H143 N19 O16.5 S2 -","- C178 H286 N38 O33 S4 -","2","1","","He, Qing; Kelliher, Michael; Bähring, Steffen; Lynch, Vincent M.; Sessler, Jonathan L.","A Bis-calix[4]pyrrole Enzyme Mimic That Constrains Two Oxoanions in Close Proximity.","Journal of the American Chemical Society","2017","139","21","7140","7143","10.1021/jacs.7b02329","","","0.71073","MoKα","","0.1672","0.1084","","","0.2912","0.3339","","","","","","1.033","","","","has coordinates,has disorder","241507","2020-10-21","18:00:00",""
"4131269","22.803","0.003","25.336","0.003","20.96","0.003","90","","95.773","0.003","90","","12048","3","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C114 H155 N19 O15 P2 -","- C114 H180 N19 O15 P2 -","- C456 H720 N76 O60 P8 -","4","1","","He, Qing; Kelliher, Michael; Bähring, Steffen; Lynch, Vincent M.; Sessler, Jonathan L.","A Bis-calix[4]pyrrole Enzyme Mimic That Constrains Two Oxoanions in Close Proximity.","Journal of the American Chemical Society","2017","139","21","7140","7143","10.1021/jacs.7b02329","","","0.71075","MoKα","","0.296","0.1384","","","0.2848","0.3686","","","","","","1.039","","","","has coordinates,has disorder","241508","2020-10-21","18:00:00",""
"4131270","15.0606","0.0006","18.5209","0.0007","20.3176","0.001","90","","96.226","0.004","90","","5633.9","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H134 N18 O28 P4 -","- C97.78 H133.84 N18 O27.626 P4 -","- C195.56 H267.68 N36 O55.252 P8 -","2","0.5","","He, Qing; Kelliher, Michael; Bähring, Steffen; Lynch, Vincent M.; Sessler, Jonathan L.","A Bis-calix[4]pyrrole Enzyme Mimic That Constrains Two Oxoanions in Close Proximity.","Journal of the American Chemical Society","2017","139","21","7140","7143","10.1021/jacs.7b02329","","x-ray","1.54184","CuKα","","0.1753","0.1393","","","0.3719","0.4136","","","","","","1.379","","","","has coordinates,has disorder","241509","2020-10-21","18:00:00",""
"4131271","38.954","0.005","6.9664","0.0009","24.402","0.003","90","","97.187","0.003","90","","6569.9","1.4","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H0 Cl0.12 N6 O2 -","- C33 H43 N7 O4 -","- C264 H344 N56 O32 -","8","1","","He, Qing; Kelliher, Michael; Bähring, Steffen; Lynch, Vincent M.; Sessler, Jonathan L.","A Bis-calix[4]pyrrole Enzyme Mimic That Constrains Two Oxoanions in Close Proximity.","Journal of the American Chemical Society","2017","139","21","7140","7143","10.1021/jacs.7b02329","","","0.71075","MoKα","","0.1803","0.1138","","","0.2852","0.3306","","","","","","1.059","","","","has coordinates","241510","2020-10-21","18:00:00",""
"4131272","10.2141","0.0005","13.2874","0.0008","29.0597","0.0013","90","","92.361","0.004","90","","3940.6","0.4","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C86.12 H104.18 N20.06 O4.49 -","- C86.12 H104.18 N20.06 O4.49 -","- C172.24 H208.36 N40.12 O8.98 -","2","0.5","","He, Qing; Kelliher, Michael; Bähring, Steffen; Lynch, Vincent M.; Sessler, Jonathan L.","A Bis-calix[4]pyrrole Enzyme Mimic That Constrains Two Oxoanions in Close Proximity.","Journal of the American Chemical Society","2017","139","21","7140","7143","10.1021/jacs.7b02329","","","0.71073","MoKα","","0.1623","0.0989","","","0.2376","0.2795","","","","","","1.052","","","","has coordinates,has disorder","241511","2020-10-21","18:00:00",""
"4131273","15.9914","0.0009","17.7499","0.0007","16.3249","0.0008","90","","111.526","0.006","90","","4310.6","0.4","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H37 Al2 Cl6 N3 O P2 -","- C43 H29 Al2 Cl6 N3 O P2 -","- C172 H116 Al8 Cl24 N12 O4 P8 -","4","1","","Takaya, Jun; Iwasawa, Nobuharu","Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO<sub>2</sub>.","Journal of the American Chemical Society","2017","139","17","6074","6077","10.1021/jacs.7b02553","","","0.71073","MoKα","","0.1553","0.1041","","","0.2686","0.317","","","","","","1.022","","","","has coordinates,has disorder","241512","2020-10-21","18:00:00",""
"4131274","16.2505","0.0006","18.0456","0.0006","16.419","0.0008","90","","106.315","0.005","90","","4621","0.3","123","2","123","2","","","","","","","","7","P 1 a 1","P -2ya","7","","","","- C45 H41 Cl6 Ga2 N3 O1.5 P2 -","- C45 H41 Cl6 Ga2 N3 O1.5 P2 -","- C180 H164 Cl24 Ga8 N12 O6 P8 -","4","2","","Takaya, Jun; Iwasawa, Nobuharu","Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO<sub>2</sub>.","Journal of the American Chemical Society","2017","139","17","6074","6077","10.1021/jacs.7b02553","","","0.71073","MoKα","","0.1076","0.0629","","","0.1285","0.1484","","","","","","1.038","","","","has coordinates","241512","2020-10-21","18:00:00",""
"4131275","10.6347","0.0004","15.1587","0.0005","16.3064","0.0009","116.078","0.004","107.927","0.004","91.446","0.003","2206.5","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H37 Cl6 In2 N3 O P2 -","- C43 H37 Cl6 In2 N3 O P2 -","- C86 H74 Cl12 In4 N6 O2 P4 -","2","1","","Takaya, Jun; Iwasawa, Nobuharu","Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO<sub>2</sub>.","Journal of the American Chemical Society","2017","139","17","6074","6077","10.1021/jacs.7b02553","","","0.71073","MoKα","","0.1014","0.0623","","","0.1427","0.1654","","","","","","1.033","","","","has coordinates","241512","2020-10-21","18:00:00",""
"4131276","23.6164","0.0003","22.668","0.0003","36.3526","0.0004","90","","104.873","0.0012","90","","18808.9","0.4","123","2","123","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C39 H29 Al Cl3 N3 P2 Pd -","- C39 H29 Al Cl3 N3 P2 Pd -","- C624 H464 Al16 Cl48 N48 P32 Pd16 -","16","4","","Takaya, Jun; Iwasawa, Nobuharu","Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO<sub>2</sub>.","Journal of the American Chemical Society","2017","139","17","6074","6077","10.1021/jacs.7b02553","","","0.71073","MoKα","","0.0715","0.0454","","","0.1071","0.1174","","","","","","1.039","","","","has coordinates","241512","2020-10-21","18:00:00",""
"4131277","15.6604","0.0007","15.4147","0.0007","17.6596","0.0007","90","","100.425","0.004","90","","4192.7","0.3","123","2","123","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C42 H36 Cl3 Ga N4 O P2 Pd -","- C42 H36 Cl3 Ga N4 O P2 Pd -","- C168 H144 Cl12 Ga4 N16 O4 P8 Pd4 -","4","1","","Takaya, Jun; Iwasawa, Nobuharu","Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO<sub>2</sub>.","Journal of the American Chemical Society","2017","139","17","6074","6077","10.1021/jacs.7b02553","","","0.71073","MoKα","","0.0874","0.0509","","","0.1292","0.1536","","","","","","1.083","","","","has coordinates","241512","2020-10-21","18:00:00",""
"4131278","15.37","0.0003","18.6633","0.0004","17.1449","0.0003","90","","105.464","0.002","90","","4740.05","0.17","123","2","123","2","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C45 H47 Cl3 In N3 O3 P2 Pd S3 -","- C45 H47 Cl3 In N3 O3 P2 Pd S3 -","- C180 H188 Cl12 In4 N12 O12 P8 Pd4 S12 -","4","1","","Takaya, Jun; Iwasawa, Nobuharu","Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO<sub>2</sub>.","Journal of the American Chemical Society","2017","139","17","6074","6077","10.1021/jacs.7b02553","","","0.71073","MoKα","","0.064","0.0469","","","0.1421","0.154","","","","","","1.09","","","","has coordinates","241512","2020-10-21","18:00:00",""
"4131279","8.2927","0.0009","20.973","0.002","22.4","0.003","68.639","0.008","81.11","0.008","85.463","0.008","3583.6","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H96 F72 N12 O0 P12 -","- C114 H96 F72 N12 P12 -","- C114 H96 F72 N12 P12 -","1","0.5","","Das, Gobinda; Skorjanc, Tina; Sharma, Sudhir Kumar; Gándara, Felipe; Lusi, Matteo; Shankar Rao, D. S.; Vimala, Sridurai; Krishna Prasad, Subbarao; Raya, Jesus; Han, Dong Suk; Jagannathan, Ramesh; Olsen, John-Carl; Trabolsi, Ali","Viologen-Based Conjugated Covalent Organic Networks via Zincke Reaction.","Journal of the American Chemical Society","2017","139","28","9558","9565","10.1021/jacs.7b02836","","","1.54178","CuKα","","0.1552","0.1032","","","0.2822","0.312","","","","","","1.075","","","","has coordinates","241513","2020-10-21","18:00:00",""
"4131280","12.3678","0.0018","13.938","0.002","36.575","0.006","90","","93.498","0.007","90","","6293.1","1.6","173","2","173","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C112 H202 Al2 Co2 Li2 N8 O12 P6 -","- C112 H202 Al2 Co2 Li2 N8 O12 P6 -","- C224 H404 Al4 Co4 Li4 N16 O24 P12 -","2","1","","Vollmer, Matthew V.; Xie, Jing; Lu, Connie C.","Stable Dihydrogen Complexes of Cobalt(-I) Suggest an Inverse trans-Influence of Lewis Acidic Group 13 Metalloligands.","Journal of the American Chemical Society","2017","139","19","6570","6573","10.1021/jacs.7b02870","","","0.71073","MoKα","","0.0817","0.0624","","","0.1445","0.1543","","","","","","1.07","","","","has coordinates","241514","2020-10-21","18:00:00",""
"4131281","15.7589","0.0011","16.9042","0.0014","21.5439","0.0017","83.33","0.003","85.737","0.002","87.113","0.003","5679.5","0.8","125","2","125","2","","","","","","","","8","P -1","-P 1","2","","","","- C110 H180 Co2 Ga2 Li2 N8 O8 P6 -","- C110 H180 Co2 Ga2 Li2 N8 O8 P6 -","- C220 H360 Co4 Ga4 Li4 N16 O16 P12 -","2","1","","Vollmer, Matthew V.; Xie, Jing; Lu, Connie C.","Stable Dihydrogen Complexes of Cobalt(-I) Suggest an Inverse trans-Influence of Lewis Acidic Group 13 Metalloligands.","Journal of the American Chemical Society","2017","139","19","6570","6573","10.1021/jacs.7b02870","","","0.71073","MoKα","","0.1186","0.0529","","","0.1101","0.1427","","","","","","1.111","","","","has coordinates,has disorder","241514","2020-10-21","18:00:00",""
"4131282","11.409","0.002","12.13","0.002","23.099","0.004","98.56","0.008","90.383","0.01","103.728","0.01","3067.8","0.9","127","2","127","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H94.9 Co In Li N4 O4 P3 -","- C58 H94.9 Co In Li N4 O4 P3 -","- C116 H189.8 Co2 In2 Li2 N8 O8 P6 -","2","1","","Vollmer, Matthew V.; Xie, Jing; Lu, Connie C.","Stable Dihydrogen Complexes of Cobalt(-I) Suggest an Inverse trans-Influence of Lewis Acidic Group 13 Metalloligands.","Journal of the American Chemical Society","2017","139","19","6570","6573","10.1021/jacs.7b02870","","","0.71073","MoKα","","0.0786","0.0496","","","0.1052","0.1215","","","","","","1.043","","","","has coordinates,has disorder","241514","2020-10-21","18:00:00",""
"4131283","35.3839","0.0004","11.1376","0.0002","51.7427","0.0009","90","","95.806","0.001","90","","20286.8","0.6","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C95.25 H104.25 B0 Cl8.75 N8 Ni2 O4 Zn -","- C95.25 H100.5 Cl8.75 N8 Ni2.1 O4.1 Zn -","- C762 H804 Cl70 N64 Ni16.8 O32.8 Zn8 -","8","1","","Doistau, Benjamin; Benda, Lorien; Cantin, Jean-Louis; Chamoreau, Lise-Marie; Ruiz, Eliseo; Marvaud, Valérie; Hasenknopf, Bernold; Vives, Guillaume","Six States Switching of Redox-Active Molecular Tweezers by Three Orthogonal Stimuli.","Journal of the American Chemical Society","2017","139","27","9213","9220","10.1021/jacs.7b02945","","x-ray","0.66825","synchrotron","","0.1181","0.0863","","","0.2576","0.2893","","","","","","1.027","","","","has coordinates,has disorder","241515","2020-10-21","18:00:00",""
"4131284","41.7129","0.0008","7.0905","0.0001","17.3156","0.0003","90","","90","","90","","5121.35","0.15","200","2","200","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C54 H56 Br Cl2 N5 Ni O2 -","- C53 H54 Br N5 Ni O2 -","- C212 H216 Br4 N20 Ni4 O8 -","4","1","","Doistau, Benjamin; Benda, Lorien; Cantin, Jean-Louis; Chamoreau, Lise-Marie; Ruiz, Eliseo; Marvaud, Valérie; Hasenknopf, Bernold; Vives, Guillaume","Six States Switching of Redox-Active Molecular Tweezers by Three Orthogonal Stimuli.","Journal of the American Chemical Society","2017","139","27","9213","9220","10.1021/jacs.7b02945","","","1.54183","CuKα","","0.0519","0.0491","","","0.135","0.1373","","","","","","1.057","","","","has coordinates","241516","2020-10-21","18:00:00",""
"4131285","24.623","0.002","15.4246","0.0014","15.0059","0.0014","90","","119.147","0.003","90","","4977.6","0.8","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 O -","- C34 H30 O -","- C272 H240 O8 -","8","1","","de Orbe, M. Elena; Amenós, Laura; Kirillova, Mariia S.; Wang, Yahui; López-Carrillo, Verónica; Maseras, Feliu; Echavarren, Antonio M.","Cyclobutene vs 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture.","Journal of the American Chemical Society","2017","139","30","10302","10311","10.1021/jacs.7b03005","","","0.71073","MoKα","","0.0728","0.0488","","","0.1144","0.1285","","","","","","1.023","","","","has coordinates","241517","2020-10-21","18:00:00",""
"4131286","7.424","0.0008","32.859","0.004","7.7501","0.0009","90","","103.934","0.004","90","","1835","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","2","","de Orbe, M. Elena; Amenós, Laura; Kirillova, Mariia S.; Wang, Yahui; López-Carrillo, Verónica; Maseras, Feliu; Echavarren, Antonio M.","Cyclobutene vs 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture.","Journal of the American Chemical Society","2017","139","30","10302","10311","10.1021/jacs.7b03005","","","0.71073","MoKα","","0.1548","0.1125","","","0.2623","0.2799","","","","","","1.543","","","","has coordinates,has disorder","241518","2020-10-21","18:00:00",""
"4131287","22.2327","0.0012","5.5071","0.0004","38.99","0.002","90","","91.34","0.002","90","","4772.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 O -","- C33 H28 O -","- C264 H224 O8 -","8","2","","de Orbe, M. Elena; Amenós, Laura; Kirillova, Mariia S.; Wang, Yahui; López-Carrillo, Verónica; Maseras, Feliu; Echavarren, Antonio M.","Cyclobutene vs 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture.","Journal of the American Chemical Society","2017","139","30","10302","10311","10.1021/jacs.7b03005","","","0.71073","MoKα","","0.1011","0.0568","","","0.1127","0.1266","","","","","","1.054","","","","has coordinates","241519","2020-10-21","18:00:00",""
"4131288","15.0649","0.0008","9.9259","0.0006","16.1346","0.0008","90","","94.4899","0.0018","90","","2405.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 O -","- C33 H28 O -","- C132 H112 O4 -","4","1","","de Orbe, M. Elena; Amenós, Laura; Kirillova, Mariia S.; Wang, Yahui; López-Carrillo, Verónica; Maseras, Feliu; Echavarren, Antonio M.","Cyclobutene vs 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture.","Journal of the American Chemical Society","2017","139","30","10302","10311","10.1021/jacs.7b03005","","","0.71073","MoKα","","0.0594","0.0435","","","0.1054","0.1152","","","","","","1.047","","","","has coordinates","241520","2020-10-21","18:00:00",""
"4131289","7.3559","0.0003","8.7429","0.0003","10.5801","0.0004","88.022","0.003","86.294","0.003","75.705","0.003","657.86","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H19 Br -","- C16 H19 Br -","- C32 H38 Br2 -","2","1","","de Orbe, M. Elena; Amenós, Laura; Kirillova, Mariia S.; Wang, Yahui; López-Carrillo, Verónica; Maseras, Feliu; Echavarren, Antonio M.","Cyclobutene vs 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture.","Journal of the American Chemical Society","2017","139","30","10302","10311","10.1021/jacs.7b03005","","","0.7107","MoKα","","0.0509","0.0436","","","0.1145","0.1176","","","","","","1.058","","","","has coordinates","241521","2020-10-21","18:00:00",""
"4131290","8.04752","0.00015","8.79412","0.00014","15.1588","0.0003","90","","97.0754","0.0017","90","","1064.63","0.03","113","2","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 I N2 O2 -","- C25 H23 I N2 O2 -","- C50 H46 I2 N4 O4 -","2","1","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","x-ray","0.71073","MoKα","","0.0359","0.0351","","","0.0904","0.0915","","","","","","1.056","","","","has coordinates","241522","2020-10-21","18:00:00",""
"4131291","10.2122","0.0008","10.304","0.001","10.7741","0.0012","70.18","0.012","62.36","0.01","86.86","0.015","937.7","0.2","113","2","113","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C44 H42 N2 O8 -","2","2","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","","1.54187","CuKα","","0.0612","0.0583","","","0.1276","0.1321","","","","","","1.147","","","","has coordinates","241523","2020-10-21","18:00:00",""
"4131292","8.3434","0.001","9.7391","0.0011","24.416","0.002","90","","90","","90","","1984","0.4","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O4 S -","- C24 H19 N O4 S -","- C96 H76 N4 O16 S4 -","4","1","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","","0.71075","MoKα","","0.0384","0.0322","","","0.0746","0.0768","","","","","","1.034","","","","has coordinates","241524","2020-10-21","18:00:00",""
"4131293","10.286","0.003","10.706","0.002","11.1417","0.0004","66.363","0.018","64.94","0.02","88.2","0.03","1003.9","0.4","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C46 H46 N2 O8 -","2","2","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","","1.54187","CuKα","","0.0261","0.0247","","","0.0583","0.0611","","","","","","1.066","","","","has coordinates","241525","2020-10-21","18:00:00",""
"4131294","7.4908","0.001","16.573","0.0016","20.429","0.002","90","","90","","90","","2536.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 N O5 S -","- C31 H25 N O5 S -","- C124 H100 N4 O20 S4 -","4","1","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","","1.54187","CuKα","","0.0412","0.0386","","","0.0886","0.0911","","","","","","1.067","","","","has coordinates","241526","2020-10-21","18:00:00",""
"4131295","7.3516","0.0002","13.8595","0.0003","14.8108","0.0003","90","","90","","90","","1509.07","0.06","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 I N O2 -","- C18 H14 I N O2 -","- C72 H56 I4 N4 O8 -","4","1","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","x-ray","0.71073","MoKα","","0.0251","0.0245","","","0.0642","0.0661","","","","","","1.09","","","","has coordinates","241527","2020-10-21","18:00:00",""
"4131296","11.313","0.002","11.747","0.002","18.32","0.004","100.322","0.001","103.982","0.002","105.943","0.002","2191.5","0.7","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H59 Cl3 N O4 P Pd -","- C42 H59 Cl3 N O4 P Pd -","- C84 H118 Cl6 N2 O8 P2 Pd2 -","2","1","","Yadav, M. Ramu; Nagaoka, Masahiro; Kashihara, Myuto; Zhong, Rong-Lin; Miyazaki, Takanori; Sakaki, Shigeyoshi; Nakao, Yoshiaki","The Suzuki-Miyaura Coupling of Nitroarenes.","Journal of the American Chemical Society","2017","139","28","9423","9426","10.1021/jacs.7b03159","","","0.71075","MoKα","","0.0698","0.0553","","","0.1335","0.1459","","","","","","1.077","","","","has coordinates","241528","2020-10-21","18:00:00",""
"4131297","16.218","0.0008","20.5475","0.0009","24.1827","0.0009","90","","90","","90","","8058.6","0.6","143","2","143","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H60 N O4 P Pd -","- C45 H60 N O4 P Pd -","- C360 H480 N8 O32 P8 Pd8 -","8","1","","Yadav, M. Ramu; Nagaoka, Masahiro; Kashihara, Myuto; Zhong, Rong-Lin; Miyazaki, Takanori; Sakaki, Shigeyoshi; Nakao, Yoshiaki","The Suzuki-Miyaura Coupling of Nitroarenes.","Journal of the American Chemical Society","2017","139","28","9423","9426","10.1021/jacs.7b03159","","","0.71075","MoKα","","0.0401","0.0348","","","0.0839","0.0876","","","","","","1.042","","","","has coordinates","241529","2020-10-21","18:00:00",""
"4131298","33.36","0.03","5.857","0.004","34.01","0.04","90","","90.95","0.012","90","","6644","11","123","2","123","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C26.67 H30.67 O1.33 -","- C26.6667 H32 O1.33333 -","- C320 H384 O16 -","12","3","","Guo, Yi-An; Liang, Tao; Kim, Seung Wook; Xiao, Hongde; Krische, Michael J.","Nickel-Catalyzed Cross-Coupling of Vinyl Dioxanones to Form Enantiomerically Enriched Cyclopropanes.","Journal of the American Chemical Society","2017","139","20","6847","6850","10.1021/jacs.7b03371","","","0.71073","MoKα","","0.3306","0.1585","","","0.3806","0.4515","","","","","","1.021","","","","has coordinates","241530","2020-10-21","18:00:00",""
"4131299","39.33","0.003","7.9638","0.0006","10.8208","0.0008","90","","93.2487","0.0015","90","","3383.8","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H46 Hf O Si3 -","- C36 H46 Hf O Si3 -","- C144 H184 Hf4 O4 Si12 -","4","1","","Dong, Zhaowen; Reinhold, Crispin R. W.; Schmidtmann, Marc; Müller, Thomas","A Stable Silylene with a σ<sup>2</sup>, π- Butadiene Ligand.","Journal of the American Chemical Society","2017","139","20","7117","7123","10.1021/jacs.7b03566","","","0.71073","MoKα","","0.0274","0.0246","","","0.0505","0.0512","","","","","","1.095","","","","has coordinates,has disorder","241531","2020-10-21","18:00:00",""
"4131300","5.7924","0.0003","8.1095","0.0003","29.6243","0.0013","90","","90","","90","","1391.56","0.11","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O S -","- C16 H18 O S -","- C64 H72 O4 S4 -","4","1","","Jia, Tiezheng; Zhang, Mengnan; McCollom, Samuel P.; Bellomo, Ana; Montel, Sonia; Mao, Jianyou; Dreher, Spencer D.; Welch, Christopher J.; Regalado, Erik L.; Williamson, R. Thomas; Manor, Brian C.; Tomson, Neil C.; Walsh, Patrick J.","Palladium-Catalyzed Enantioselective Arylation of Aryl Sulfenate Anions: A Combined Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","24","8337","8345","10.1021/jacs.7b03623","","","0.71075","MoKα","","0.0267","0.0264","","","0.0702","0.0704","","","","","","1.154","","","","has coordinates","288221","2023-12-11","22:20:44",""
"4131301","11.9018","0.0003","11.9018","0.0003","32.8715","0.0009","90","","90","","120","","4032.51","0.18","100","","100","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H90 I10 Na4 O15 S15 -","- C30 H90 I10 Na3.999 O15 S15 -","- C60 H180 I20 Na7.998 O30 S30 -","2","0.166667","","Plata, R. Erik; Hill, David E.; Haines, Brandon E.; Musaev, Djamaladdin G.; Chu, Ling; Hickey, David P.; Sigman, Matthew S.; Yu, Jin-Quan; Blackmond, Donna G.","A Role for Pd(IV) in Catalytic Enantioselective C-H Functionalization with Monoprotected Amino Acid Ligands under Mild Conditions.","Journal of the American Chemical Society","2017","139","27","9238","9245","10.1021/jacs.7b03716","","x-ray","0.71073","MoKα","","0.0561","0.0445","","","0.0813","0.0854","","","","","","1.229","","","","has coordinates,has disorder","241534","2020-10-21","18:00:00",""
"4131302","23.024","0.003","17.123","0.002","23.177","0.003","90","","110.793","0.002","90","","8542.2","1.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H54 N4 O -","- C51 H54 N4 O -","- C408 H432 N32 O8 -","8","2","","Rajamalli, P.; Senthilkumar, N.; Huang, P.-Y.; Ren-Wu, C-C; Lin, H.-W.; Cheng, C.-H.","New Molecular Design Concurrently Providing Superior Pure Blue, Thermally Activated Delayed Fluorescence and Optical Out-Coupling Efficiencies.","Journal of the American Chemical Society","2017","139","32","10948","10951","10.1021/jacs.7b03848","","","0.71073","MoKα","","0.262","0.085","","","0.1844","0.2693","","","","","","0.938","","","","has coordinates","241535","2020-10-21","18:00:00",""
"4131303","34.9141","0.0003","10.9153","0.0001","18.6607","0.0001","90","","90","","90","","7111.55","0.1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C54 H88 Cl2 Fe P2 Si8 -","- C54 H88 Cl2 Fe P2 Si8 -","- C216 H352 Cl8 Fe4 P8 Si32 -","4","1","","Adak, Laksmikanta; Kawamura, Shintaro; Toma, Gabriel; Takenaka, Toshio; Isozaki, Katsuhiro; Takaya, Hikaru; Orita, Akihiro; Li, Ho C.; Shing, Tony K. M.; Nakamura, Masaharu","Synthesis of Aryl C-Glycosides via Iron-Catalyzed Cross Coupling of Halosugars: Stereoselective Anomeric Arylation of Glycosyl Radicals.","Journal of the American Chemical Society","2017","139","31","10693","10701","10.1021/jacs.7b03867","","","0.7","Synchrotron","","0.0507","0.0447","","","0.1023","0.1082","","","","","","1.072","","","","has coordinates,has disorder","241536","2020-10-21","18:00:00",""
"4131304","11.833","0.0015","11.833","0.0015","24.665","0.004","90","","90","","90","","3453.6","0.8","113","","113","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C17 H21 O7 -","- C17 H20 O7 -","- C136 H160 O56 -","8","1","","Adak, Laksmikanta; Kawamura, Shintaro; Toma, Gabriel; Takenaka, Toshio; Isozaki, Katsuhiro; Takaya, Hikaru; Orita, Akihiro; Li, Ho C.; Shing, Tony K. M.; Nakamura, Masaharu","Synthesis of Aryl C-Glycosides via Iron-Catalyzed Cross Coupling of Halosugars: Stereoselective Anomeric Arylation of Glycosyl Radicals.","Journal of the American Chemical Society","2017","139","31","10693","10701","10.1021/jacs.7b03867","","","0.7107","MoKα","","","0.0369","","","","0.1135","","","","","","1.105","","","","has coordinates","241537","2020-10-21","18:00:00",""
"4131305","7.8203","0.0017","11.336","0.003","19.356","0.004","90","","90","","90","","1715.9","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F O7 -","- C17 H19 F O7 -","- C68 H76 F4 O28 -","4","1","","Adak, Laksmikanta; Kawamura, Shintaro; Toma, Gabriel; Takenaka, Toshio; Isozaki, Katsuhiro; Takaya, Hikaru; Orita, Akihiro; Li, Ho C.; Shing, Tony K. M.; Nakamura, Masaharu","Synthesis of Aryl C-Glycosides via Iron-Catalyzed Cross Coupling of Halosugars: Stereoselective Anomeric Arylation of Glycosyl Radicals.","Journal of the American Chemical Society","2017","139","31","10693","10701","10.1021/jacs.7b03867","","","0.7107","MoKα","","0.0334","0.0327","","","0.0887","0.0896","","","","","","1.042","","","","has coordinates","241538","2020-10-21","18:00:00",""
"4131306","9.4057","0.0012","11.9467","0.0016","15.1002","0.0019","81.006","0.004","88.203","0.004","79.304","0.004","1646.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H26 Cl2 N2 Pt -","- C43 H26 Cl2 N2 Pt -","- C86 H52 Cl4 N4 Pt2 -","2","1","","Schulte, Thorben R.; Holstein, Julian J.; Krause, Lennard; Michel, Reent; Stalke, Dietmar; Sakuda, Eri; Umakoshi, Keisuke; Longhi, Giovanna; Abbate, Sergio; Clever, Guido H.","Chiral-at-Metal Phosphorescent Square-Planar Pt(II)-Complexes from an Achiral Organometallic Ligand.","Journal of the American Chemical Society","2017","139","20","6863","6866","10.1021/jacs.7b03963","","","0.71073","MoKα","","0.03","0.0274","","","0.0667","0.0684","","","","","","1.047","","","","has coordinates","241539","2020-10-21","18:00:00",""
"4131307","17.492","0.003","9.249","0.002","18.881","0.002","90","","97.13","0.02","90","","3031","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H24 N2 Pt -","- C42 H24 N2 Pt -","- C168 H96 N8 Pt4 -","4","1","","Schulte, Thorben R.; Holstein, Julian J.; Krause, Lennard; Michel, Reent; Stalke, Dietmar; Sakuda, Eri; Umakoshi, Keisuke; Longhi, Giovanna; Abbate, Sergio; Clever, Guido H.","Chiral-at-Metal Phosphorescent Square-Planar Pt(II)-Complexes from an Achiral Organometallic Ligand.","Journal of the American Chemical Society","2017","139","20","6863","6866","10.1021/jacs.7b03963","","","0.71073","MoKα","","0.0204","0.0176","","","0.043","0.0441","","","","","","1.054","","","","has coordinates","241540","2020-10-21","18:00:00",""
"4131308","7.566","0.002","20.775","0.003","17.105","0.002","90","","92.01","0.02","90","","2687","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Cl4 N Pt S -","- C26 H23 Cl4 N Pt S -","- C104 H92 Cl16 N4 Pt4 S4 -","4","1","","Schulte, Thorben R.; Holstein, Julian J.; Krause, Lennard; Michel, Reent; Stalke, Dietmar; Sakuda, Eri; Umakoshi, Keisuke; Longhi, Giovanna; Abbate, Sergio; Clever, Guido H.","Chiral-at-Metal Phosphorescent Square-Planar Pt(II)-Complexes from an Achiral Organometallic Ligand.","Journal of the American Chemical Society","2017","139","20","6863","6866","10.1021/jacs.7b03963","","","0.56086","AgKα","","0.03","0.0253","","","0.0474","0.0487","","","","","","1.186","","","","has coordinates,has disorder","241541","2020-10-21","18:00:00",""
"4131309","17.5938","0.0012","9.2189","0.0006","18.8427","0.0014","90","","96.984","0.003","90","","3033.5","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H24 N2 Pt -","- C42 H24 N2 Pt -","- C168 H96 N8 Pt4 -","4","2","","Schulte, Thorben R.; Holstein, Julian J.; Krause, Lennard; Michel, Reent; Stalke, Dietmar; Sakuda, Eri; Umakoshi, Keisuke; Longhi, Giovanna; Abbate, Sergio; Clever, Guido H.","Chiral-at-Metal Phosphorescent Square-Planar Pt(II)-Complexes from an Achiral Organometallic Ligand.","Journal of the American Chemical Society","2017","139","20","6863","6866","10.1021/jacs.7b03963","","","0.71073","MoKα","","0.0564","0.0307","","","0.0445","0.0487","","","","","","1.035","","","","has coordinates","287939","2023-12-01","16:52:17",""
"4131310","6.0647","0.0003","20.1459","0.0009","25.5946","0.0012","90","","90","","90","","3127.1","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Au N -","- C19 H14 Au N -","- C152 H112 Au8 N8 -","8","2","","Jin, Mingoo; Seki, Tomohiro; Ito, Hajime","Mechano-Responsive Luminescence via Crystal-to-Crystal Phase Transitions between Chiral and Non-Chiral Space Groups.","Journal of the American Chemical Society","2017","139","22","7452","7455","10.1021/jacs.7b04073","","","0.71075","MoKα","","0.0681","0.0506","","","0.1162","0.1264","","","","","","1.085","","","","has coordinates","241543","2020-10-21","18:00:00",""
"4131311","6.0437","0.0006","20.048","0.002","25.411","0.002","90","","90","","90","","3078.9","0.5","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Au N -","- C19 H14 Au N -","- C152 H112 Au8 N8 -","8","2","","Jin, Mingoo; Seki, Tomohiro; Ito, Hajime","Mechano-Responsive Luminescence via Crystal-to-Crystal Phase Transitions between Chiral and Non-Chiral Space Groups.","Journal of the American Chemical Society","2017","139","22","7452","7455","10.1021/jacs.7b04073","","","0.71075","MoKα","","0.2463","0.0859","","","0.1509","0.2139","","","","","","0.839","","","","has coordinates","241543","2020-10-21","18:00:00",""
"4131312","9.9203","0.0007","13.1108","0.0007","13.241","0.0011","105.287","0.003","98.379","0.002","110.223","0.004","1504.51","0.19","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 Au N -","- C19 H14 Au N -","- C76 H56 Au4 N4 -","4","2","","Jin, Mingoo; Seki, Tomohiro; Ito, Hajime","Mechano-Responsive Luminescence via Crystal-to-Crystal Phase Transitions between Chiral and Non-Chiral Space Groups.","Journal of the American Chemical Society","2017","139","22","7452","7455","10.1021/jacs.7b04073","","","0.71075","MoKα","","0.1464","0.0743","","","0.1751","0.2566","","","","","","1.131","","","","has coordinates","241543","2020-10-21","18:00:00",""
"4131313","21.996","0.002","21.996","0.002","24.912","0.002","90","","90","","120","","10438.2","1.6","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C104 H103 N O52.5 Y9 -","- C104 H54 N0.9996 O49.202 Y9 -","- C208.001 H108 N1.9992 O98.404 Y18 -","2","0.0833333","","AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed","A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control.","Journal of the American Chemical Society","2017","139","31","10715","10722","10.1021/jacs.7b04132","","","0.71073","MoKα","","0.125","0.0839","","","0.2453","0.2731","","","","","","1.06","","","","has coordinates,has disorder","241544","2020-10-21","18:00:00",""
"4131314","22.0149","0.0002","22.0149","0.0002","24.6746","0.0002","90","","90","","120","","10356.5","0.16","100","0.1","100","0.1","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C108 H106 N3 O47 Y9 -","- C108 H78 N3 O47 Y9 -","- C216 H156 N6 O94 Y18 -","2","0.0833333","","AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed","A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control.","Journal of the American Chemical Society","2017","139","31","10715","10722","10.1021/jacs.7b04132","","","1.54184","CuKα","","0.0806","0.0765","","","0.2505","0.2561","","","","","","1.061","","","","has coordinates,has disorder","241545","2020-10-21","18:00:00",""
"4131315","22.1501","0.0005","22.1501","0.0005","24.4015","0.0007","90","","90","","120","","10368.1","0.4","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C104 H86 N O44 Y9 -","- C104 H54 N0.9996 O44 Y9 -","- C208.001 H108 N1.9992 O88 Y18 -","2","0.0833333","","AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed","A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control.","Journal of the American Chemical Society","2017","139","31","10715","10722","10.1021/jacs.7b04132","","","1.54178","CuKα","","0.0629","0.0572","","","0.1696","0.1756","","","","","","1.038","","","","has coordinates,has disorder","241546","2020-10-21","18:00:00",""
"4131316","22.098","0.001","22.098","0.001","24.706","0.002","90","","90","","120","","10448.1","1.1","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C104 H240 N O121 Y9 -","- C104 H54 N0.9996 O56.5007 Y9 -","- C208.001 H108 N1.9992 O113.001 Y18 -","2","0.0833333","","AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed","A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control.","Journal of the American Chemical Society","2017","139","31","10715","10722","10.1021/jacs.7b04132","","","0.71073","MoKα","","0.1399","0.0824","","","0.2357","0.2731","","","","","","1.024","","","","has coordinates,has disorder","241547","2020-10-21","18:00:00",""
"4131317","7.309","0.0005","15.1112","0.0011","21.9523","0.0016","90","","90.131","0.003","90","","2424.6","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 N O4 Si -","- C25 H31 N O4 Si -","- C100 H124 N4 O16 Si4 -","4","1","","Liu, Qi; Chen, Yu; Zhang, Xiao; Houk, K. N.; Liang, Yong; Smith, 3rd, Amos B","Type II Anion Relay Chemistry: Conformational Constraints To Achieve Effective [1,5]-Vinyl Brook Rearrangements.","Journal of the American Chemical Society","2017","139","25","8710","8717","10.1021/jacs.7b04149","","","0.71073","MoKα","","0.0316","0.0301","","","0.0797","0.081","","","","","","1.03","","","","has coordinates","241548","2020-10-21","18:00:00",""
"4131318","9.4816","0.0006","10.0759","0.0006","13.0176","0.0008","83.55","0.003","89.861","0.003","84.338","0.003","1229.7","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H29 N O4 -","- C29 H29 N O4 -","- C58 H58 N2 O8 -","2","1","","Liu, Qi; Chen, Yu; Zhang, Xiao; Houk, K. N.; Liang, Yong; Smith, 3rd, Amos B","Type II Anion Relay Chemistry: Conformational Constraints To Achieve Effective [1,5]-Vinyl Brook Rearrangements.","Journal of the American Chemical Society","2017","139","25","8710","8717","10.1021/jacs.7b04149","","","0.71073","MoKα","","0.0711","0.0581","","","0.1409","0.1474","","","","","","1.135","","","","has coordinates","241549","2020-10-21","18:00:00",""
"4131319","11.3312","0.0009","12.7706","0.001","15.9521","0.0012","81.835","0.005","79.96","0.005","69.591","0.005","2122.1","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H51 Cl N3 Nb P3 -","- C45 H51 Cl N3 Nb P3 -","- C90 H102 Cl2 N6 Nb2 P6 -","2","1","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0633","0.0408","","0.0881","0.0824","0.0881","","","","","","0.9549","","","","has coordinates","241550","2020-10-21","18:00:00",""
"4131320","21.9571","0.001","18.7784","0.0009","25.3992","0.0011","90","","90","","90","","10472.6","0.8","120","","120","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C53 H67 Br Cl Fe N3 Nb O2 P3 -","- C53 H67 Br Cl Fe N3 Nb O2 P3 -","- C424 H536 Br8 Cl8 Fe8 N24 Nb8 O16 P24 -","8","1","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0675","0.0392","","0.1045","0.0829","0.1045","","","","","","1.0211","","","","has coordinates,has disorder","241550","2020-10-21","18:00:00",""
"4131321","11.0896","0.0007","20.9802","0.0013","11.1696","0.0007","90","","110.611","0.003","90","","2432.4","0.3","120","","120","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C47 H53 Cl3 F3 N3 Nb O3 P3 S -","- C47 H53 Cl3 F3 N3 Nb O3 P3 S -","- C94 H106 Cl6 F6 N6 Nb2 O6 P6 S2 -","2","1","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0632","0.06","","0.1597","0.1541","0.1597","","","","","","1.0015","","","","has coordinates,has disorder","241550","2020-10-21","18:00:00",""
"4131322","21.1756","0.0007","21.1756","0.0007","21.1756","0.0007","90","","90","","90","","9495.3","0.5","120","","120","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C48 H60 Fe N3 Nb P4 -","- C48 H60 Fe N3 Nb P4 -","- C384 H480 Fe8 N24 Nb8 P32 -","8","0.333333","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0608","0.0337","","0.0662","0.0578","0.0662","","","","","","1.0091","","","","has coordinates","241550","2020-10-21","18:00:00",""
"4131323","11.4934","0.001","11.9662","0.0011","18.4394","0.0017","89.741","0.005","86.923","0.004","62.315","0.004","2241.8","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H58 N4 Nb P3 -","- C48 H58 N4 Nb P3 -","- C96 H116 N8 Nb2 P6 -","2","1","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0377","0.0282","","0.0709","0.0649","0.0709","","","","","","0.9798","","","","has coordinates","241550","2020-10-21","18:00:00",""
"4131324","11.6894","0.0005","18.0344","0.0008","22.1156","0.001","90","","92.853","0.002","90","","4656.4","0.4","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 Br Fe N4 Nb P3 -","- C48 H58 Br Fe N4 Nb P3 -","- C192 H232 Br4 Fe4 N16 Nb4 P12 -","4","1","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0313","0.0246","","0.0619","0.0584","0.0619","","","","","","0.9855","","","","has coordinates","241550","2020-10-21","18:00:00",""
"4131325","18.6191","0.0009","13.1806","0.0006","42.711","0.002","90","","90.867","0.002","90","","10480.5","0.9","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53.5 H73 Fe N4 Nb P4 -","- C53.5 H73 Fe N4 Nb P4 -","- C428 H584 Fe8 N32 Nb8 P32 -","8","2","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0804","0.0396","","0.1086","0.0875","0.1086","","","","","","0.983","","","","has coordinates,has disorder","241550","2020-10-21","18:00:00",""
"4131326","12.551","0.002","14.785","0.002","19.348","0.003","90","","90.638","0.008","90","","3590.1","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","tes009","tes009","","- C38 H33 Cl2 I2 O P2 Rh -","- C38 H33 Cl2 I2 O P2 Rh -","- C152 H132 Cl8 I8 O4 P8 Rh4 -","4","1","","Stevens, Tyler E.; Smoll, Karena A.; Goldberg, Karen I.","Direct Formation of Carbon(sp<sup>3</sup>)-Heteroatom Bonds from Rh<sup>III</sup> To Produce Methyl Iodide, Thioethers, and Alkylamines.","Journal of the American Chemical Society","2017","139","23","7725","7728","10.1021/jacs.7b04169","","","0.71073","MoKα","","0.0337","0.026","","","0.0631","0.0672","","","","","","1.034","","","","has coordinates,has disorder","241551","2020-10-21","18:00:00",""
"4131327","12.6322","0.001","14.7078","0.0014","19.7418","0.0018","90","","94.445","0.004","90","","3656.8","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","tes_017","tes_017","","- C43 H35 Br I O P2 Rh -","- C43 H35 Br I O P2 Rh -","- C172 H140 Br4 I4 O4 P8 Rh4 -","4","0.5","","Stevens, Tyler E.; Smoll, Karena A.; Goldberg, Karen I.","Direct Formation of Carbon(sp<sup>3</sup>)-Heteroatom Bonds from Rh<sup>III</sup> To Produce Methyl Iodide, Thioethers, and Alkylamines.","Journal of the American Chemical Society","2017","139","23","7725","7728","10.1021/jacs.7b04169","","","0.71073","MoKα","","0.0485","0.0287","","","0.0547","0.0605","","","","","","1.02","","","","has coordinates","241551","2020-10-21","18:00:00",""
"4131328","13.8558","0.0008","16.7013","0.0009","15.9056","0.0009","90","","98.532","0.003","90","","3640","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tes_018","tes_018","","- C42 H37 I O3 P2 Rh -","- C42 H37 I O3 P2 Rh -","- C168 H148 I4 O12 P8 Rh4 -","4","1","","Stevens, Tyler E.; Smoll, Karena A.; Goldberg, Karen I.","Direct Formation of Carbon(sp<sup>3</sup>)-Heteroatom Bonds from Rh<sup>III</sup> To Produce Methyl Iodide, Thioethers, and Alkylamines.","Journal of the American Chemical Society","2017","139","23","7725","7728","10.1021/jacs.7b04169","","","0.71073","MoKα","","0.0446","0.0408","","","0.1124","0.1149","","","","","","1.082","","","","has coordinates","241551","2020-10-21","18:00:00",""
"4131329","14.565","0.0004","7.6815","0.0002","15.6786","0.0004","90","","106.182","0.001","90","","1684.64","0.08","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 N O4 -","- C18 H29 N O4 -","- C72 H116 N4 O16 -","4","1","","Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A.","Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation.","Journal of the American Chemical Society","2017","139","28","9637","9644","10.1021/jacs.7b04206","","","1.54178","CuKα","","0.0383","0.0363","","","0.0915","0.093","","","","","","1.053","","","","has coordinates","241552","2020-10-21","18:00:00",""
"4131330","6.8534","0.0005","7.5227","0.0005","14.8874","0.0011","82.243","0.002","87.87","0.002","64.183","0.001","684.4","0.08","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A.","Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation.","Journal of the American Chemical Society","2017","139","28","9637","9644","10.1021/jacs.7b04206","","x-ray","0.71073","MoKα","","0.0476","0.0398","","","0.0993","0.1049","","","","","","1.038","","","","has coordinates","241553","2020-10-21","18:00:00",""
"4131331","9.3686","0.0002","10.5348","0.0002","13.5886","0.0003","90","","90","","90","","1341.14","0.05","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A.","Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation.","Journal of the American Chemical Society","2017","139","28","9637","9644","10.1021/jacs.7b04206","","x-ray","1.54178","CuKα","","0.0296","0.0291","","","0.075","0.0754","","","","","","1.065","","","","has coordinates","241554","2020-10-21","18:00:00",""
"4131332","10.0498","0.0015","11.7372","0.0017","10.964","0.0016","90","","99.133","0.004","90","","1276.9","0.3","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A.","Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation.","Journal of the American Chemical Society","2017","139","28","9637","9644","10.1021/jacs.7b04206","","x-ray","1.54178","CuKα","K-L~3~","0.0405","0.0396","","","0.0994","0.1001","","","","","","1.09","","","","has coordinates","241555","2020-10-21","18:00:00",""
"4131333","7.1807","0.0005","12.0511","0.0009","16.0115","0.0013","90","","101.718","0.002","90","","1356.68","0.18","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A.","Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation.","Journal of the American Chemical Society","2017","139","28","9637","9644","10.1021/jacs.7b04206","","x-ray","0.71073","MoKα","","0.0644","0.0396","","","0.0831","0.0944","","","","","","1.057","","","","has coordinates","241556","2020-10-21","18:00:00",""
"4131334","7.8097","0.0003","9.8942","0.0004","11.084","0.0004","114.01","0.001","92.225","0.001","94.556","0.001","777.51","0.05","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H27 N O3 -","- C17 H27 N O3 -","- C34 H54 N2 O6 -","2","1","","Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A.","Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation.","Journal of the American Chemical Society","2017","139","28","9637","9644","10.1021/jacs.7b04206","","x-ray","0.71073","MoKα","","0.0401","0.0369","","","0.0956","0.0986","","","","","","1.061","","","","has coordinates","241557","2020-10-21","18:00:00",""
"4131335","8.3454","0.0003","25.5444","0.0008","7.8491","0.0002","90","","102.146","0.001","90","","1635.8","0.09","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 O6 -","- C17 H24 O6 -","- C68 H96 O24 -","4","1","","Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A.","Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation.","Journal of the American Chemical Society","2017","139","28","9637","9644","10.1021/jacs.7b04206","","","1.54178","CuKα","","0.0478","0.0475","","","0.1315","0.1317","","","","","","1.271","","","","has coordinates","241558","2020-10-21","18:00:00",""
"4131336","15.2797","0.0011","21.3748","0.0015","21.7718","0.0015","74.223","0.01","77.054","0.01","79.381","0.011","6610.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H45 F12 Fe N9 P2 -","- C54 H45 F12 Fe N9 P2 -","- C216 H180 F48 Fe4 N36 P8 -","4","2","","Elool Dov, Neta; Shankar, Sreejith; Cohen, Dana; Bendikov, Tatyana; Rechav, Katya; Shimon, Linda J. W.; Lahav, Michal; van der Boom, Milko E.","Electrochromic Metallo-Organic Nanoscale Films: Fabrication, Color Range, and Devices.","Journal of the American Chemical Society","2017","139","33","11471","11481","10.1021/jacs.7b04217","","","0.71073","MoKα","","0.1296","0.0776","","","0.1985","0.2301","","","","","","0.937","","","","has coordinates,has disorder","241559","2020-10-21","18:00:00",""
"4131337","14.5702","0.001","6.0644","0.0009","10.9344","0.001","90","","90","","90","","966.16","0.18","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C48 H40 N4 O6 -","2","0.5","","Chen, Dongping; Xu, Guangqing; Zhou, Qinghai; Chung, Lung Wa; Tang, Wenjun","Practical and Asymmetric Reductive Coupling of Isoquinolines Templated by Chiral Diborons.","Journal of the American Chemical Society","2017","139","29","9767","9770","10.1021/jacs.7b04256","","","1.54178","CuKα","","0.0392","0.0385","","","0.1121","0.1125","","","","","","1.099","","","","has coordinates","241560","2020-10-21","18:00:00",""
"4131338","12.7229","0.0008","12.7229","0.0008","14.6505","0.0013","90","","90","","90","","2371.5","0.3","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C28 H24 B2 O4 -","- C28 H24 B2 O4 -","- C112 H96 B8 O16 -","4","0.5","","Chen, Dongping; Xu, Guangqing; Zhou, Qinghai; Chung, Lung Wa; Tang, Wenjun","Practical and Asymmetric Reductive Coupling of Isoquinolines Templated by Chiral Diborons.","Journal of the American Chemical Society","2017","139","29","9767","9770","10.1021/jacs.7b04256","","","0.71073","MoKα","","0.0645","0.0522","","","0.112","0.1176","","","","","","1.1","","","","has coordinates","241561","2020-10-21","18:00:00",""
"4131339","15.1085","0.0007","10.0011","0.0005","19.4655","0.0009","90","","103.708","0.002","90","","2857.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 B2 N2 O4 -","- C30 H38 B2 N2 O4 -","- C120 H152 B8 N8 O16 -","4","1","","Chen, Dongping; Xu, Guangqing; Zhou, Qinghai; Chung, Lung Wa; Tang, Wenjun","Practical and Asymmetric Reductive Coupling of Isoquinolines Templated by Chiral Diborons.","Journal of the American Chemical Society","2017","139","29","9767","9770","10.1021/jacs.7b04256","","","1.54178","CuKα","","0.0596","0.0552","","","0.1593","0.1645","","","","","","1.02","","","","has coordinates","241562","2020-10-21","18:00:00",""
"4131340","6.2276","0.0006","10.0974","0.0009","33.032","0.003","90","","90","","90","","2077.1","0.3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","hxqG7","","","- C24 H23 Br N2 O -","- C24 H23 Br N2 O -","- C96 H92 Br4 N8 O4 -","4","1","","Huang, Xiaoqiang; Quinn, Taylor R.; Harms, Klaus; Webster, Richard D.; Zhang, Lilu; Wiest, Olaf; Meggers, Eric","Direct Visible-Light-Excited Asymmetric Lewis Acid Catalysis of Intermolecular [2+2] Photocycloadditions.","Journal of the American Chemical Society","2017","139","27","9120","9123","10.1021/jacs.7b04363","","","0.71073","MoKα","","0.0433","0.0397","","","0.096","0.0975","","","","","","1.048","","","","has coordinates,has disorder","241563","2020-10-21","18:00:00",""
"4131341","22.0286","0.0009","13.8772","0.0006","15.944","0.0007","90","","90","","90","","4874","0.4","110","2","110","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C25 H28 N2 O2 S -","- C25 H28 N2 O2 S -","- C200 H224 N16 O16 S8 -","8","2","","Huang, Xiaoqiang; Quinn, Taylor R.; Harms, Klaus; Webster, Richard D.; Zhang, Lilu; Wiest, Olaf; Meggers, Eric","Direct Visible-Light-Excited Asymmetric Lewis Acid Catalysis of Intermolecular [2+2] Photocycloadditions.","Journal of the American Chemical Society","2017","139","27","9120","9123","10.1021/jacs.7b04363","","","0.71073","MoKα","","0.0677","0.0466","","","0.0964","0.104","","","","","","1.016","","","","has coordinates,has disorder","241564","2020-10-21","18:00:00",""
"4131342","25.1184","0.0018","15.5983","0.0011","19.6259","0.0013","90","","95.15","0.002","90","","7658.5","0.9","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Lu2@D2d-C84 Ni(OEP)","Lu2@D2d-C84 Ni(OEP)","","- C122 H45 Cl6 Lu2 N4 Ni S0 -","- C122 H45 Cl6 Lu1.9998 N4 Ni -","- C488 H180 Cl24 Lu7.9992 N16 Ni4 -","4","0.5","","Shen, Wangqiang; Bao, Lipiao; Wu, Yongbo; Pan, Changwang; Zhao, Shasha; Fang, Hongyun; Xie, Yunpeng; Jin, Peng; Peng, Ping; Li, Fang-Fang; Lu, Xing","Lu<sub>2</sub>@C<sub>2n</sub> (2n = 82, 84, 86): Crystallographic Evidence of Direct Lu-Lu Bonding between Two Divalent Lutetium Ions Inside Fullerene Cages.","Journal of the American Chemical Society","2017","139","29","9979","9984","10.1021/jacs.7b04421","","","0.71073","MoKα","","0.1211","0.1118","","","0.3046","0.3166","","","","","","1.034","","","","has coordinates,has disorder","241565","2020-10-21","18:00:00",""
"4131343","25.2648","0.0012","15.5167","0.0007","19.4962","0.0009","90","","94.4003","0.0013","90","","7620.5","0.6","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Lu2@C3v-C82 Ni(OEP)","Lu2@C3v-C82 Ni(OEP)","","- C120 H44.83 Cl2.5 Lu2 N4 Ni S2.33 -","- C120 H44.8342 Cl2.5026 Lu1.9999 N4 Ni S2.3316 -","- C480 H179.337 Cl10.0104 Lu7.9996 N16 Ni4 S9.3264 -","4","0.5","","Shen, Wangqiang; Bao, Lipiao; Wu, Yongbo; Pan, Changwang; Zhao, Shasha; Fang, Hongyun; Xie, Yunpeng; Jin, Peng; Peng, Ping; Li, Fang-Fang; Lu, Xing","Lu<sub>2</sub>@C<sub>2n</sub> (2n = 82, 84, 86): Crystallographic Evidence of Direct Lu-Lu Bonding between Two Divalent Lutetium Ions Inside Fullerene Cages.","Journal of the American Chemical Society","2017","139","29","9979","9984","10.1021/jacs.7b04421","","","0.71073","MoKα","","0.1419","0.1125","","","0.3448","0.3742","","","","","","1.545","","","","has coordinates,has disorder","241566","2020-10-21","18:00:00",""
"4131344","19.948","0.005","15.035","0.005","25.348","0.005","90","0.005","94.356","0.005","90","0.005","7580","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Lu2@Cs-C82 Ni(OEP)","Lu2@Cs-C82 Ni(OEP)","","- C130 H56 Lu2 N4 Ni S0 -","- C130 H56 Lu2 N4 Ni -","- C520 H224 Lu8 N16 Ni4 -","4","1","","Shen, Wangqiang; Bao, Lipiao; Wu, Yongbo; Pan, Changwang; Zhao, Shasha; Fang, Hongyun; Xie, Yunpeng; Jin, Peng; Peng, Ping; Li, Fang-Fang; Lu, Xing","Lu<sub>2</sub>@C<sub>2n</sub> (2n = 82, 84, 86): Crystallographic Evidence of Direct Lu-Lu Bonding between Two Divalent Lutetium Ions Inside Fullerene Cages.","Journal of the American Chemical Society","2017","139","29","9979","9984","10.1021/jacs.7b04421","","","0.71069","MoKα","","0.1389","0.1194","","","0.2426","0.2533","","","","","","1.116","","","","has coordinates,has disorder","241567","2020-10-21","18:00:00",""
"4131345","25.481","0.005","15.143","0.005","20.168","0.005","90","0.005","96.708","0.005","90","0.005","7729","4","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Lu2@C2v-C86 Ni(OEP)","Lu2@C2v-C86 Ni(OEP)","","- C124 H46 Cl6 Lu2 N4 Ni S0 -","- C124 H46 Cl6 Lu2 N4 Ni -","- C496 H184 Cl24 Lu8 N16 Ni4 -","4","0.5","","Shen, Wangqiang; Bao, Lipiao; Wu, Yongbo; Pan, Changwang; Zhao, Shasha; Fang, Hongyun; Xie, Yunpeng; Jin, Peng; Peng, Ping; Li, Fang-Fang; Lu, Xing","Lu<sub>2</sub>@C<sub>2n</sub> (2n = 82, 84, 86): Crystallographic Evidence of Direct Lu-Lu Bonding between Two Divalent Lutetium Ions Inside Fullerene Cages.","Journal of the American Chemical Society","2017","139","29","9979","9984","10.1021/jacs.7b04421","","","0.71069","MoKα","","0.1567","0.1121","","","0.2776","0.3166","","","","","","1.373","","","","has coordinates,has disorder","241568","2020-10-21","18:00:00",""
"4131346","21.4943","0.0002","30.5259","0.0003","21.5548","0.0003","90","","90.862","0.001","90","","14141.2","0.3","149.4","0.9","149.4","0.9","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C286 H206 Au19 Cl2 Cu30 N2 O12 P6 -","- C286 H200 Au19 Cl2 Cu30 N2 O10 P6 -","- C572 H400 Au38 Cl4 Cu60 N4 O20 P12 -","2","0.5","","Wan, Xian-Kai; Cheng, Xiao-Ling; Tang, Qing; Han, Ying-Zi; Hu, Guoxiang; Jiang, De-En; Wang, Quan-Ming","Atomically Precise Bimetallic Au<sub>19</sub>Cu<sub>30</sub> Nanocluster with an Icosidodecahedral Cu<sub>30</sub> Shell and an Alkynyl-Cu Interface.","Journal of the American Chemical Society","2017","139","28","9451","9454","10.1021/jacs.7b04622","","","1.54178","CuKα","","0.0633","0.0507","","","0.144","0.154","","","","","","1.099","","","","has coordinates,has disorder","241569","2020-10-21","18:00:00",""
"4131347","20.9011","0.0003","30.0147","0.0005","21.3713","0.0004","90","","91.906","0.002","90","","13399.7","0.4","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C240 H172 Au19 Cl2 Cu30 N3 O17 P6 S22 -","- C240 H156 Au19 Cl2 Cu30 N2 O14 P6 S22 -","- C480 H312 Au38 Cl4 Cu60 N4 O28 P12 S44 -","2","0.5","","Wan, Xian-Kai; Cheng, Xiao-Ling; Tang, Qing; Han, Ying-Zi; Hu, Guoxiang; Jiang, De-En; Wang, Quan-Ming","Atomically Precise Bimetallic Au<sub>19</sub>Cu<sub>30</sub> Nanocluster with an Icosidodecahedral Cu<sub>30</sub> Shell and an Alkynyl-Cu Interface.","Journal of the American Chemical Society","2017","139","28","9451","9454","10.1021/jacs.7b04622","","","1.54178","CuKα","","0.0854","0.058","","","0.1486","0.1754","","","","","","1.074","","","","has coordinates","241570","2020-10-21","18:00:00",""
"4131348","9.3812","0.0002","12.873","0.0002","29.8093","0.0007","90","","90","","90","","3599.9","0.13","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 I O4 Si -","- C36 H51 I O4 Si -","- C144 H204 I4 O16 Si4 -","4","1","","Hari, Durga Prasad; Waser, Jerome","Enantioselective Copper-Catalyzed Oxy-Alkynylation of Diazo Compounds.","Journal of the American Chemical Society","2017","139","25","8420","8423","10.1021/jacs.7b04756","","x-ray","1.54184","CuKα","","0.0494","0.0491","","","0.1364","0.1368","","","","","","1.073","","","","has coordinates,has disorder","241571","2020-10-21","18:00:00",""
"4131349","11.0587","0.0006","25.898","0.0013","13.77","0.0008","90","","105.743","0.001","90","","3795.8","0.4","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H58 Al N5 -","- C41 H58 Al N5 -","- C164 H232 Al4 N20 -","4","1","","Chu, Terry; Vyboishchikov, Sergei F.; Gabidullin, Bulat M.; Nikonov, Georgii I.","Oxidative Cleavage of the C═N Bond on Al(I).","Journal of the American Chemical Society","2017","139","26","8804","8807","10.1021/jacs.7b04841","","","0.71073","MoKα","","0.0666","0.0439","","","0.106","0.1181","","","","","","1.025","","","","has coordinates","241572","2020-10-21","18:00:00",""
"4131350","14.3245","0.0012","13.9107","0.0011","16.7445","0.0014","90","","104.782","0.001","90","","3226.1","0.5","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H37 N5 Pt -","- C40 H37 N5 Pt -","- C160 H148 N20 Pt4 -","4","0.5","","Chan, Alan Kwun-Wa; Ng, Maggie; Wong, Yi-Chun; Chan, Mei-Yee; Wong, Wing-Tak; Yam, Vivian Wing-Wah","Synthesis and Characterization of Luminescent Cyclometalated Platinum(II) Complexes with Tunable Emissive Colors and Studies of Their Application in Organic Memories and Organic Light-Emitting Devices.","Journal of the American Chemical Society","2017","139","31","10750","10761","10.1021/jacs.7b04952","","","0.71073","MoKα","","0.0176","0.0164","","","0.0397","0.0403","","","","","","1.052","","","","has coordinates","241573","2020-10-21","18:00:00",""
"4131351","8.5414","0.0004","27.3619","0.0014","13.5613","0.0007","90","","90.133","0.002","90","","3169.4","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","SL1672-B","","","- C18 H30 O3 -","- C18 H30 O3 -","- C144 H240 O24 -","8","2","","Liu, Shu-An; Trauner, Dirk","Asymmetric Synthesis of the Antiviral Diterpene Wickerol A.","Journal of the American Chemical Society","2017","139","28","9491","9494","10.1021/jacs.7b05046","","","0.71073","MoKα","","0.0977","0.0689","","","0.1306","0.1419","","","","","","1.083","","","","has coordinates","241574","2020-10-21","18:00:00",""
"4131352","8.8933","0.0003","9.3676","0.0004","11.1619","0.0005","95.392","0.002","104.214","0.001","90.329","0.001","897.03","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","SL1869-B","","","- C21 H33 O2 -","- C21 H33 O2 -","- C42 H66 O4 -","2","1","","Liu, Shu-An; Trauner, Dirk","Asymmetric Synthesis of the Antiviral Diterpene Wickerol A.","Journal of the American Chemical Society","2017","139","28","9491","9494","10.1021/jacs.7b05046","","","0.71073","MoKα","","0.0619","0.0446","","","0.0982","0.1102","","","","","","1.026","","","","has coordinates","241575","2020-10-21","18:00:00",""
"4131353","10.722","0.0004","10.722","0.0004","60.769","0.002","90","","90","","90","","6986.1","0.4","100","2","100","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","SL1800","","","- C20 H30 O3 -","- C20 H30 O3 -","- C320 H480 O48 -","16","2","","Liu, Shu-An; Trauner, Dirk","Asymmetric Synthesis of the Antiviral Diterpene Wickerol A.","Journal of the American Chemical Society","2017","139","28","9491","9494","10.1021/jacs.7b05046","","","0.71073","MoKα","","0.0663","0.0606","","","0.142","0.1443","","","","","","1.198","","","","has coordinates,has disorder","241576","2020-10-21","18:00:00",""
"4131354","11.1208","0.0003","11.3351","0.0003","18.5681","0.0005","90","","90","","90","","2340.61","0.11","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H42 B Fe N3 P2 -","- C19 H42 B Fe N3 P2 -","- C76 H168 B4 Fe4 N12 P8 -","4","1","","Gorgas, Nikolaus; Alves, Luis G.; Stöger, Berthold; Martins, Ana M.; Veiros, Luis F.; Kirchner, Karl","Stable, Yet Highly Reactive Nonclassical Iron(II) Polyhydride Pincer Complexes: Z-Selective Dimerization and Hydroboration of Terminal Alkynes.","Journal of the American Chemical Society","2017","139","24","8130","8133","10.1021/jacs.7b05051","","x-ray","0.71073","MoKα","","0.0354","0.0258","","","0.0273","0.0284","","","","1.09","1.09","1.05","","","","has coordinates","241577","2020-10-21","18:00:00",""
"4131355","18.5403","0.0004","22.3875","0.0005","28.9019","0.0007","90","","90","","90","","11996.3","0.5","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H52 B Fe N3 O2 P2 -","- C25 H52 B Fe N3 O2 P2 -","- C400 H832 B16 Fe16 N48 O32 P32 -","16","2","","Gorgas, Nikolaus; Alves, Luis G.; Stöger, Berthold; Martins, Ana M.; Veiros, Luis F.; Kirchner, Karl","Stable, Yet Highly Reactive Nonclassical Iron(II) Polyhydride Pincer Complexes: Z-Selective Dimerization and Hydroboration of Terminal Alkynes.","Journal of the American Chemical Society","2017","139","24","8130","8133","10.1021/jacs.7b05051","","x-ray","0.71073","MoKα","","0.1051","0.0453","","","0.0414","0.0474","","","","1.58","1.58","1.33","","","","has coordinates","241577","2020-10-21","18:00:00",""
"4131356","28.0364","0.0019","11.6906","0.0008","13.9459","0.0009","90","","97.324","0.002","90","","4533.6","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H41 Fe N3 P2 -","- C19 H41 Fe N3 P2 -","- C152 H328 Fe8 N24 P16 -","8","1","","Gorgas, Nikolaus; Alves, Luis G.; Stöger, Berthold; Martins, Ana M.; Veiros, Luis F.; Kirchner, Karl","Stable, Yet Highly Reactive Nonclassical Iron(II) Polyhydride Pincer Complexes: Z-Selective Dimerization and Hydroboration of Terminal Alkynes.","Journal of the American Chemical Society","2017","139","24","8130","8133","10.1021/jacs.7b05051","","x-ray","0.71073","MoKα","","0.0576","0.0321","","","0.0342","0.0364","","","","1.61","1.61","1.44","","","","has coordinates","241577","2020-10-21","18:00:00",""
"4131357","5.5523","0.0002","9.9458","0.0003","17.2211","0.0006","102.928","0.002","91.667","0.002","100.473","0.002","909.02","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","71452-132","gene905","","- C23 H21 F O -","- C23 H21 F O -","- C46 H42 F2 O2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0533","0.0428","","","0.1052","0.1129","","","","","","1.085","","","","has coordinates","241578","2020-10-21","18:00:00",""
"4131358","9.4458","0.0004","9.8045","0.0004","10.2876","0.0004","74.222","0.001","80.9","0.001","76.852","0.001","888.09","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","71452-151","gene961","","- C24 H21 F -","- C24 H21 F -","- C48 H42 F2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0519","0.0446","","","0.111","0.1178","","","","","","1.062","","","","has coordinates","241579","2020-10-21","18:00:00",""
"4131359","7.8872","0.0007","6.0338","0.0005","21.8424","0.0019","90","","91.418","0.002","90","","1039.16","0.16","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","71462-057","gene767","","- C24 H24 O4 S -","- C24 H24 O4 S -","- C48 H48 O8 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0616","0.0495","","","0.1043","0.1094","","","","","","1.045","","","","has coordinates","241580","2020-10-21","18:00:00",""
"4131360","8.5739","0.0016","5.6098","0.001","31.566","0.006","90","","96.311","0.004","90","","1509.1","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","71452-138","gene906","","- C21 H17 F -","- C21 H17 F -","- C84 H68 F4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0843","0.0711","","","0.1273","0.1315","","","","","","1.248","","","","has coordinates","241581","2020-10-21","18:00:00",""
"4131361","10.1549","0.0007","14.8484","0.001","15.7384","0.0011","90","","102.915","0.001","90","","2313.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","71462-46","gene777","","- C26 H26 O5 S -","- C26 H26 O5 S -","- C104 H104 O20 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0576","0.0465","","","0.1181","0.1267","","","","","","1.072","","","","has coordinates","241582","2020-10-21","18:00:00",""
"4131362","11.9658","0.001","5.5651","0.0005","13.704","0.0013","90","","96.528","0.003","90","","906.64","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","71452-162","gene965","","- C23 H19 F3 -","- C23 H19 F3 -","- C46 H38 F6 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0705","0.0588","","","0.1458","0.1545","","","","","","1.067","","","","has coordinates","241583","2020-10-21","18:00:00",""
"4131363","5.9623","0.0003","7.832","0.0003","41.1862","0.0018","90","","90","","90","","1923.26","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","71452-53","gene800","","- C23 H22 O3 S -","- C23 H22 O3 S -","- C92 H88 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0427","0.0396","","","0.0881","0.0896","","","","","","1.116","","","","has coordinates,has disorder","241584","2020-10-21","18:00:00",""
"4131364","6.138","0.0003","8.0372","0.0004","40.2939","0.0018","90","","90","","90","","1987.79","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","71462-43","gene775","","- C23 H21 F O3 S -","- C23 H21 F O3 S -","- C92 H84 F4 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0321","0.0314","","","0.0883","0.0889","","","","","","1.117","","","","has coordinates","241585","2020-10-21","18:00:00",""
"4131365","10.3876","0.0011","11.2894","0.0012","11.3219","0.0012","106.35","0.002","105.817","0.002","114.671","0.002","1035.43","0.19","200","2","200","2","","","","","","","","4","P -1","-P 1","2","71462-058","gene765","","- C24 H24 O3 S -","- C24 H24 O3 S -","- C48 H48 O6 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0518","0.0426","","","0.1114","0.1217","","","","","","1.048","","","","has coordinates","241586","2020-10-21","18:00:00",""
"4131366","5.721","0.003","16.056","0.009","18.916","0.011","90","","91.068","0.011","90","","1737.3","1.7","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","71452-123","gene903","","- C23 H22 -","- C23 H22 -","- C92 H88 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0769","0.0496","","","0.1109","0.1237","","","","","","1.031","","","","has coordinates","241587","2020-10-21","18:00:00",""
"4131367","10.1785","0.0011","11.2505","0.0012","18.6095","0.0019","90","","99.021","0.002","90","","2104.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","71462-44","gene774","","- C24 H24 O4 S -","- C24 H24 O4 S -","- C96 H96 O16 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0654","0.0472","","","0.1139","0.1261","","","","","","1.029","","","","has coordinates","241588","2020-10-21","18:00:00",""
"4131368","7.296","0.0004","13.462","0.0007","23.3477","0.0012","90","","95.558","0.002","90","","2282.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","71452-089","gene869","","- C26 H26 O5 S -","- C26 H26 O5 S -","- C104 H104 O20 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0543","0.041","","","0.0955","0.1027","","","","","","1.055","","","","has coordinates","241589","2020-10-21","18:00:00",""
"4131369","7.8225","0.0008","6.0641","0.0007","20.897","0.002","90","","93.48","0.004","90","","989.45","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","71462-052","gene754","","- C23 H21 Cl O3 S -","- C23 H21 Cl O3 S -","- C46 H42 Cl2 O6 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","1.54178","CuKα","","0.0242","0.0239","","","0.0614","0.0615","","","","","","1.067","","","","has coordinates","241590","2020-10-21","18:00:00",""
"4131370","22.047","0.002","10.2379","0.001","19.341","0.002","90","","100.02","0.002","90","","4299","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","71462-64","gene780","","- C24 H21 F3 O3 S -","- C24 H21 F3 O3 S -","- C192 H168 F24 O24 S8 -","8","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0591","0.0465","","","0.1125","0.1232","","","","","","1.035","","","","has coordinates","241591","2020-10-21","18:00:00",""
"4131371","7.8407","0.0008","5.9578","0.0006","20.722","0.002","90","","94.566","0.002","90","","964.92","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","71462-051","gene755","","- C23 H21 F O3 S -","- C23 H21 F O3 S -","- C46 H42 F2 O6 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0632","0.0516","","","0.1186","0.1254","","","","","","1.038","","","","has coordinates","241592","2020-10-21","18:00:00",""
"4131372","5.7536","0.0003","18.8396","0.001","19.464","0.0011","100.729","0.003","92.651","0.003","91.874","0.003","2068.87","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","71462-047","gene769","","- C24 H24 O4 S -","- C24 H24 O4 S -","- C96 H96 O16 S4 -","4","2","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0942","0.0588","","","0.1361","0.152","","","","","","1.024","","","","has coordinates","241593","2020-10-21","18:00:00",""
"4131373","11.0293","0.0006","10.1869","0.0006","18.0805","0.001","90","","95.853","0.001","90","","2020.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","71462-49","gene779","","- C23 H21 Cl O3 S -","- C23 H21 Cl O3 S -","- C92 H84 Cl4 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0462","0.0399","","","0.0976","0.103","","","","","","1.057","","","","has coordinates","241594","2020-10-21","18:00:00",""
"4131374","17.5541","0.0007","5.63","0.0002","20.232","0.0009","90","","99.807","0.002","90","","1970.3","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","71452-154","gene963","","- C25 H24 O2 -","- C25 H24 O2 -","- C100 H96 O8 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0881","0.0696","","","0.1859","0.207","","","","","","1.04","","","","has coordinates","241595","2020-10-21","18:00:00",""
"4131375","16.2361","0.0011","7.3738","0.0005","17.5467","0.0012","90","","107.591","0.001","90","","2002.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","71462-71","gene798","","- C24 H24 O4 S -","- C24 H24 O4 S -","- C96 H96 O16 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0625","0.0441","","","0.102","0.1125","","","","","","1.055","","","","has coordinates","241596","2020-10-21","18:00:00",""
"4131376","12.5238","0.0008","9.4922","0.0006","16.7995","0.0011","90","","107.658","0.001","90","","1903","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","71452-126","gene893","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C88 H84 N4 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0509","0.0394","","","0.0902","0.0971","","","","","","1.036","","","","has coordinates","241597","2020-10-21","18:00:00",""
"4131377","9.3346","0.0004","10.3434","0.0004","17.6498","0.0007","90","","99.825","0.002","90","","1679.12","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","71452-131B","gene918","","- C22 H18 F2 -","- C22 H18 F2 -","- C88 H72 F8 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.058","0.0426","","","0.1027","0.1125","","","","","","1.063","","","","has coordinates","241598","2020-10-21","18:00:00",""
"4131378","14.7622","0.0013","7.5055","0.0007","19.1024","0.0018","90","","112.638","0.001","90","","1953.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","71462-48","gene778","","- C24 H24 O3 S -","- C24 H24 O3 S -","- C96 H96 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0545","0.0417","","","0.0976","0.1062","","","","","","1.056","","","","has coordinates","241599","2020-10-21","18:00:00",""
"4131379","10.102","0.003","8.912","0.003","18.5","0.006","90","","95.274","0.007","90","","1658.5","0.9","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","71452-128","gene919","","- C22 H19 F -","- C22 H19 F -","- C88 H76 F4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.1212","0.0809","","","0.1758","0.1905","","","","","","1.188","","","","has coordinates","241600","2020-10-21","18:00:00",""
"4131380","12.2957","0.0005","8.703","0.0004","15.5509","0.0006","90","","92.233","0.002","90","","1662.83","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","71452-122A","gene891","","- C22 H19 F -","- C22 H19 F -","- C88 H76 F4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","1.54178","CuKα","","0.0363","0.0337","","","0.0861","0.0888","","","","","","1.046","","","","has coordinates","241601","2020-10-21","18:00:00",""
"4131381","10.6254","0.001","17.428","0.002","21.959","0.002","90","","90","","90","","4066.4","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","71452-149","gene959","","- C25 H23 F O2 -","- C25 H23 F O2 -","- C200 H184 F8 O16 -","8","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.1","0.0493","","","0.1142","0.1493","","","","","","1.014","","","","has coordinates","241602","2020-10-21","18:00:00",""
"4131382","9.3948","0.0003","9.4545","0.0003","10.5713","0.0004","113.006","0.001","90.533","0.001","93.797","0.001","861.76","0.05","100","2","100","2","","","","","","","","2","P -1","-P 1","2","71452-153","gene962","","- C23 H22 -","- C23 H22 -","- C46 H44 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","1.54178","CuKα","","0.0416","0.0399","","","0.1048","0.1068","","","","","","1.044","","","","has coordinates","241603","2020-10-21","18:00:00",""
"4131383","11.5316","0.0007","19.9422","0.0013","9.0447","0.0006","90","","108.879","0.002","90","","1968.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","68706-019","gene870","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C88 H84 N4 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.044","0.0374","","","0.0879","0.0919","","","","","","1.042","","","","has coordinates","241604","2020-10-21","18:00:00",""
"4131384","10.1195","0.001","11.0431","0.0011","11.1733","0.0011","62.149","0.002","70.126","0.002","87.43","0.002","1028.44","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","71462-45","gene776","","- C24 H24 O3 S -","- C24 H24 O3 S -","- C48 H48 O6 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0597","0.0477","","","0.1166","0.1252","","","","","","1.062","","","","has coordinates","241605","2020-10-21","18:00:00",""
"4131385","6.1836","0.0003","7.6778","0.0004","19.3378","0.0009","90","","90.454","0.001","90","","918.06","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","71462-055","gene768","","- C22 H20 O3 S -","- C22 H20 O3 S -","- C44 H40 O6 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0439","0.0387","","","0.0922","0.1036","","","","","","1.157","","","","has coordinates","241606","2020-10-21","18:00:00",""
"4131386","31.553","0.003","5.657","0.0004","9.6179","0.0007","90","","90","","90","","1716.8","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","71452-147","gene917","","- C23 H21 F -","- C23 H21 F -","- C92 H84 F4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0584","0.0516","","","0.1012","0.1032","","","","","","1.116","","","","has coordinates","241607","2020-10-21","18:00:00",""
"4131387","12.8187","0.0005","8.7228","0.0004","15.7048","0.0006","90","","93.929","0.001","90","","1751.9","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","71452-146","gene958","","- C23 H22 O -","- C23 H22 O -","- C92 H88 O4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","1.54178","CuKα","","0.0357","0.0343","","","0.0886","0.0901","","","","","","1.042","","","","has coordinates","241608","2020-10-21","18:00:00",""
"4131388","6.0473","0.0002","23.2692","0.0009","15.0816","0.0005","90","","98.752","0.002","90","","2097.51","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","68863-199","gene804","","- C24 H21 F3 O3 S -","- C24 H21 F3 O3 S -","- C96 H84 F12 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0608","0.0453","","","0.1065","0.1149","","","","","","1.02","","","","has coordinates","241609","2020-10-21","18:00:00",""
"4131389","44.237","0.01","10.331","0.002","9.158","0.002","90","","95.834","0.004","90","","4163.6","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","71462-062","gene766","","- C25 H24 O3 S -","- C25 H24 O3 S -","- C200 H192 O24 S8 -","8","2","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.1296","0.1169","","","0.2951","0.3037","","","","","","1.067","","","","has coordinates","241610","2020-10-21","18:00:00",""
"4131390","9.585","0.003","10.156","0.003","10.675","0.003","63.143","0.004","79.594","0.004","81.521","0.004","909.3","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","71452-142","gene920","","- C23 H19 F3 -","- C23 H19 F3 -","- C46 H38 F6 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.067","0.047","","","0.1115","0.1255","","","","","","1.021","","","","has coordinates,has disorder","241611","2020-10-21","18:00:00",""
"4131391","9.7277","0.0005","10.2705","0.0005","10.7975","0.0005","78.543","0.002","80.516","0.002","66.907","0.002","968.02","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","71452-129","gene904","","- C25 H24 O2 -","- C25 H24 O2 -","- C50 H48 O4 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0619","0.0447","","","0.1118","0.1224","","","","","","1.067","","","","has coordinates","241612","2020-10-21","18:00:00",""
"4131392","11.2228","0.0011","14.2515","0.0014","12.8006","0.0012","90","","93.122","0.002","90","","2044.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","71462-70","gene797","","- C24 H24 O3 S -","- C24 H24 O3 S -","- C96 H96 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0606","0.0453","","","0.1081","0.1187","","","","","","1.055","","","","has coordinates","241613","2020-10-21","18:00:00",""
"4131393","7.8618","0.0004","6.0592","0.0003","20.5577","0.0009","90","","95.509","0.002","90","","974.77","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","71462-61","gene781","","- C24 H22 O3 S -","- C24 H22 O3 S -","- C48 H44 O6 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","1.54178","CuKα","","0.0323","0.0321","","","0.0932","0.0933","","","","","","1.179","","","","has coordinates","241614","2020-10-21","18:00:00",""
"4131394","9.5989","0.0013","9.993","0.0013","10.2627","0.0014","78.416","0.002","65.919","0.002","75.486","0.002","864.6","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","71452-124","gene892","","- C23 H22 O -","- C23 H22 O -","- C46 H44 O2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0856","0.0485","","","0.1011","0.1176","","","","","","1.033","","","","has coordinates","241615","2020-10-21","18:00:00",""
"4131395","9.7278","0.0014","9.3897","0.0014","20.371","0.003","90","","97.634","0.005","90","","1844.2","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","71452-148","gene915","","- C23 H18 F4 -","- C23 H18 F4 -","- C92 H72 F16 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0884","0.0602","","","0.1503","0.1698","","","","","","1.05","","","","has coordinates","241616","2020-10-21","18:00:00",""
"4131396","13.566","0.002","13.861","0.002","15.236","0.003","90","","96.108","0.003","90","","2848.7","0.8","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 B F3 N7 O3 P W -","- C24 H34 B F3 N7 O3 P W -","- C96 H136 B4 F12 N28 O12 P4 W4 -","4","1","","Wilson, Katy B.; Myers, Jeffery T.; Nedzbala, Hannah S.; Combee, Logan A.; Sabat, Michal; Harman, W. Dean","Sequential Tandem Addition to a Tungsten-Trifluorotoluene Complex: A Versatile Method for the Preparation of Highly Functionalized Trifluoromethylated Cyclohexenes.","Journal of the American Chemical Society","2017","139","33","11401","11412","10.1021/jacs.7b05118","","","0.71073","MoKα","","0.0887","0.0688","","","0.1661","0.1767","","","","","","1.33","","","","has coordinates","241617","2020-10-21","18:00:00",""
"4131397","12.1351","0.001","16.3438","0.0013","15.7058","0.0013","90","","108.776","0.001","90","","2949.2","0.4","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 B F3 N7 O3 P W -","- C24 H36 B F3 N7 O3 P W -","- C96 H144 B4 F12 N28 O12 P4 W4 -","4","1","","Wilson, Katy B.; Myers, Jeffery T.; Nedzbala, Hannah S.; Combee, Logan A.; Sabat, Michal; Harman, W. Dean","Sequential Tandem Addition to a Tungsten-Trifluorotoluene Complex: A Versatile Method for the Preparation of Highly Functionalized Trifluoromethylated Cyclohexenes.","Journal of the American Chemical Society","2017","139","33","11401","11412","10.1021/jacs.7b05118","","","0.71073","MoKα","","0.0185","0.0161","","","0.0404","0.0415","","","","","","1.019","","","","has coordinates","241618","2020-10-21","18:00:00",""
"4131398","16.3421","0.0009","16.168","0.0009","23.4046","0.0012","90","","95.524","0.001","90","","6155.2","0.6","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 B F3 N8 O3 P W -","- C25 H37 B F3 N8 O3 P W -","- C200 H296 B8 F24 N64 O24 P8 W8 -","8","2","","Wilson, Katy B.; Myers, Jeffery T.; Nedzbala, Hannah S.; Combee, Logan A.; Sabat, Michal; Harman, W. Dean","Sequential Tandem Addition to a Tungsten-Trifluorotoluene Complex: A Versatile Method for the Preparation of Highly Functionalized Trifluoromethylated Cyclohexenes.","Journal of the American Chemical Society","2017","139","33","11401","11412","10.1021/jacs.7b05118","","","0.71073","MoKα","","0.0241","0.0191","","","0.0451","0.0466","","","","","","1.021","","","","has coordinates","241619","2020-10-21","18:00:00",""
"4131399","16.151","0.005","19.225","0.005","19.283","0.005","90","","93.851","0.009","90","","5974","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H35 Al2 F30 Fe S -","- C62 H35 Al2 F30 Fe S -","- C248 H140 Al8 F120 Fe4 S4 -","4","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1426","0.0536","","","0.1212","0.1683","","","","","","1.021","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131400","10.504","0.002","23.922","0.005","24.325","0.005","90","","92.238","0.008","90","","6108","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H35 Al2 F30 Fe Te -","- C62 H35 Al2 F30 Fe Te -","- C248 H140 Al8 F120 Fe4 Te4 -","4","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1386","0.0522","","","0.1096","0.1482","","","","","","0.987","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131401","10.481","0.004","11.448","0.005","24.317","0.009","92.704","0.017","101.94","0.015","92.541","0.018","2847","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28.92 H16.04 B Cl0.12 F15 Fe0.5 O0.5 -","- C28.9215 H16.2965 B Cl0.125 F15 Fe0.5 O0.5 -","- C115.686 H65.186 B4 Cl0.5 F60 Fe2 O2 -","4","2","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1915","0.0735","","","0.165","0.2146","","","","","","0.988","","","","has coordinates,has disorder","241621","2020-10-21","18:00:00",""
"4131402","10.592","0.002","13.454","0.003","14.36","0.003","83.346","0.006","89.68","0.006","81.366","0.006","2009.4","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H35 B F15 Fe O2 -","- C45 H35 B F15 Fe O2 -","- C90 H70 B2 F30 Fe2 O4 -","2","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1149","0.0539","","","0.1195","0.1444","","","","","","1.009","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131403","10.808","0.018","14.03","0.02","14.35","0.02","96.37","0.04","91.09","0.04","100.08","0.04","2128","6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H35 Al F15 Fe O2 -","- C45 H35 Al F15 Fe O2 -","- C90 H70 Al2 F30 Fe2 O4 -","2","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.192","0.0706","","","0.1412","0.1988","","","","","","0.965","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131404","35.462","0.003","10.0966","0.0007","20.1865","0.0012","90","","102.362","0.005","90","","7060.1","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H31 B F15 Fe -","- C38 H31 B F15 Fe -","- C304 H248 B8 F120 Fe8 -","8","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1279","0.0509","","","0.0872","0.1191","","","","","","0.995","","","","has coordinates","241621","2020-10-21","18:00:00",""
"4131405","9.7403","0.0007","28.1925","0.0017","14.3597","0.0009","90","","104.661","0.005","90","","3814.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H32 B F15 Fe O -","- C41 H32 B F15 Fe O -","- C164 H128 B4 F60 Fe4 O4 -","4","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1213","0.0625","","","0.1373","0.1669","","","","","","1.054","","","","has coordinates","241621","2020-10-21","18:00:00",""
"4131406","28.889","0.009","10.185","0.003","29.105","0.008","90","","90.014","0.006","90","","8564","4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44.5 H40 Al Cl2 F15 Fe O -","- C44.5 H40 Al Cl2 F15 Fe O -","- C356 H320 Al8 Cl16 F120 Fe8 O8 -","8","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.197","0.0947","","","0.2328","0.2834","","","","","","1.025","","","","has coordinates,has disorder","241621","2020-10-21","18:00:00",""
"4131407","9.8079","0.0012","21.726","0.003","23.941","0.003","92.85","0.004","91.521","0.003","102.432","0.003","4972.1","1.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C53 H53 B Cl F15 Fe N O -","- C53 H53 B Cl F15 Fe N O -","- C212 H212 B4 Cl4 F60 Fe4 N4 O4 -","4","2","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.0992","0.0678","","","0.1817","0.2034","","","","","","1.041","","","","has coordinates,has disorder","241621","2020-10-21","18:00:00",""
"4131408","9.8874","0.0008","32.141","0.003","14.6181","0.0012","90","","102.973","0.005","90","","4526.9","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H48 Al F15 Fe N O -","- C47 H48 Al F15 Fe N O -","- C188 H192 Al4 F60 Fe4 N4 O4 -","4","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1097","0.0528","","","0.1263","0.1574","","","","","","1.064","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131409","14.168","0.003","39.796","0.008","18.693","0.004","90","","99.024","0.014","90","","10409","4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C106 H65 Al4 Cl F50 Fe2 O2 -","- C106 H65 Al4 Cl F50 Fe2 O2 -","- C424 H260 Al16 Cl4 F200 Fe8 O8 -","4","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.2056","0.0974","","","0.2126","0.2714","","","","","","1.019","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131410","16.026","0.003","12.948","0.002","23.926","0.004","90","","90.93","0.008","90","","4964.1","1.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33.33 H20 Al1.33 F16.67 Fe0.67 Se0.67 -","- C33.3333 H20 Al1.33333 F16.6667 Fe0.666667 Se0.666667 -","- C200 H120 Al8 F100 Fe4 Se4 -","6","1.5","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1507","0.0613","","","0.1132","0.1443","","","","","","1.018","","","","has coordinates","241621","2020-10-21","18:00:00",""
"4131411","13.251","0.007","14.356","0.006","22.384","0.011","88.718","0.011","77.885","0.012","69.221","0.01","3886","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H21 Al1.5 Cl3 F15 Fe0.5 Te -","- C37 H21 Al1.5 Cl3 F15 Fe0.5 Te -","- C148 H84 Al6 Cl12 F60 Fe2 Te4 -","4","2","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.2495","0.1077","","","0.2061","0.2667","","","","","","1.054","","","","has coordinates,has disorder","241621","2020-10-21","18:00:00",""
"4131412","9.41","0.002","20.391","0.005","21.371","0.005","95.423","0.006","95.582","0.006","97.223","0.006","4025.1","1.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H62 B2 Cl2 F30 Fe2 S7 -","- C77 H62 B2 Cl2 F30 Fe2 S7 -","- C154 H124 B4 Cl4 F60 Fe4 S14 -","2","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.198","0.079","","","0.1724","0.2185","","","","","","1.052","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131413","10.719","0.005","13.037","0.006","15.005","0.006","84.987","0.013","88.873","0.012","82.307","0.014","2070","1.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H30 Al F20 Fe -","- C44 H30 Al F20 Fe -","- C88 H60 Al2 F40 Fe2 -","2","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1086","0.053","","","0.1134","0.1371","","","","","","1.01","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131414","16.7674","0.0009","5.6048","0.0003","17.3363","0.001","90","","95.623","0.005","90","","1621.39","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","1","","Addy, Partha Sarathi; Erickson, Sarah B.; Italia, James S.; Chatterjee, Abhishek","A Chemoselective Rapid Azo-Coupling Reaction (CRACR) for Unclickable Bioconjugation.","Journal of the American Chemical Society","2017","139","34","11670","11673","10.1021/jacs.7b05125","","","1.54178","CuKα","","0.0627","0.0413","","","0.102","0.1133","","","","","","1.019","","","","has coordinates","241622","2020-10-21","18:00:00",""
"4131415","12.015","0.017","16.37","0.02","22.31","0.03","77.9","0.02","88.71","0.04","89.63","0.03","4289","10","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C36 H63 N3 Si5 -","- C36 H63 N3 Si5 -","- C144 H252 N12 Si20 -","4","2","","Wendel, Daniel; Porzelt, Amelie; Herz, Fabian A. D.; Sarkar, Debotra; Jandl, Christian; Inoue, Shigeyoshi; Rieger, Bernhard","From Si(II) to Si(IV) and Back: Reversible Intramolecular Carbon-Carbon Bond Activation by an Acyclic Iminosilylene.","Journal of the American Chemical Society","2017","139","24","8134","8137","10.1021/jacs.7b05136","","x-ray","0.71073","MoKα","","0.114","0.0975","","","0.2348","0.2445","","","","","","1.149","","","","has coordinates,has disorder","241623","2020-10-21","18:00:00",""
"4131416","12.8285","0.0006","22.1079","0.0009","21.956","0.0011","90","","95.129","0.002","90","","6202","0.5","100","","100","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H70 B F15 N3 Si5 -","- C57 H70 B F15 N3 Si5 -","- C228 H280 B4 F60 N12 Si20 -","4","1","","Wendel, Daniel; Porzelt, Amelie; Herz, Fabian A. D.; Sarkar, Debotra; Jandl, Christian; Inoue, Shigeyoshi; Rieger, Bernhard","From Si(II) to Si(IV) and Back: Reversible Intramolecular Carbon-Carbon Bond Activation by an Acyclic Iminosilylene.","Journal of the American Chemical Society","2017","139","24","8134","8137","10.1021/jacs.7b05136","","x-ray","0.71073","MoKα","","0.0535","0.0396","","","0.0817","0.0866","","","","","","1.082","","","","has coordinates,has disorder","241623","2020-10-21","18:00:00",""
"4131417","10.2747","0.0004","18.4172","0.0008","23.9282","0.001","90","","101.484","0.001","90","","4437.3","0.3","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H63 N3 O3 Si5 -","- C37 H63 N3 O3 Si5 -","- C148 H252 N12 O12 Si20 -","4","1","","Wendel, Daniel; Porzelt, Amelie; Herz, Fabian A. D.; Sarkar, Debotra; Jandl, Christian; Inoue, Shigeyoshi; Rieger, Bernhard","From Si(II) to Si(IV) and Back: Reversible Intramolecular Carbon-Carbon Bond Activation by an Acyclic Iminosilylene.","Journal of the American Chemical Society","2017","139","24","8134","8137","10.1021/jacs.7b05136","","x-ray","0.71073","MoKα","","0.0801","0.0522","","","0.0963","0.1045","","","","","","1.084","","","","has coordinates","241623","2020-10-21","18:00:00",""
"4131418","10.7825","0.0006","11.3305","0.0005","17.614","0.0009","90","","93.1","0.003","90","","2148.77","0.19","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H33 B2 Cl2 N O4 -","- C16 H33 B2 Cl2 N O4 -","- C64 H132 B8 Cl8 N4 O16 -","4","1","","Smith, James R.; Collins, Beatrice S. L.; Hesse, Matthew J.; Graham, Mark A.; Myers, Eddie L.; Aggarwal, Varinder K.","Enantioselective Rhodium(III)-Catalyzed Markovnikov Hydroboration of Unactivated Terminal Alkenes.","Journal of the American Chemical Society","2017","139","27","9148","9151","10.1021/jacs.7b05149","","","0.71073","MoKα","","0.0716","0.0414","","","0.0884","0.1002","","","","","","1.018","","","","has coordinates,has disorder","241624","2020-10-21","18:00:00",""
"4131419","46.803","0.003","39.504","0.002","35.3743","0.0019","90","","109.002","0.001","90","","61840","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C204 H144 Eu4 F36 N48 O63 S12 -","- C204 H144 Eu4 F36 N48 O63 S12 -","- C1632 H1152 Eu32 F288 N384 O504 S96 -","8","1","","Liu, Cui-Lian; Zhang, Rui-Ling; Lin, Chen-Sheng; Zhou, Li-Peng; Cai, Li-Xuan; Kong, Jin-Tao; Yang, Song-Qiu; Han, Ke-Li; Sun, Qing-Fu","Intraligand Charge Transfer Sensitization on Self-Assembled Europium Tetrahedral Cage Leads to Dual-Selective Luminescent Sensing toward Anion and Cation.","Journal of the American Chemical Society","2017","139","36","12474","12479","10.1021/jacs.7b05157","","","0.7388","Synchrotron","","0.1353","0.1163","","","0.3439","0.3769","","","","","","1.727","","","","has coordinates","241625","2020-10-21","18:00:00",""
"4131420","9.6892","0.0011","10.0478","0.0009","11.9882","0.0011","89.402","0.008","77.36","0.008","89.745","0.008","1138.8","0.2","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C24 H37 N O3 -","- C24 H37 N O3 -","- C48 H74 N2 O6 -","2","2","","Loskot, Steven A.; Romney, David K.; Arnold, Frances H.; Stoltz, Brian M.","Enantioselective Total Synthesis of Nigelladine A via Late-Stage C-H Oxidation Enabled by an Engineered P450 Enzyme.","Journal of the American Chemical Society","2017","139","30","10196","10199","10.1021/jacs.7b05196","","","1.54178","CuKα","","0.0568","0.0497","","","0.1066","0.1114","","","","","","1.062","","","","has coordinates","241626","2020-10-21","18:00:00",""
"4131421","8.9337","0.00019","20.7978","0.0005","23.4696","0.0006","98.332","0.002","90.9598","0.0018","95.4335","0.0019","4293.21","0.18","100","0.9","100","0.9","","","","","","","","3","P -1","-P 1","2","","","","- C96 H118 Si4 -","- C96 H118 Si4 -","- C192 H236 Si8 -","2","1","","Kumarasamy, Elango; Sanders, Samuel N.; Tayebjee, Murad J. Y.; Asadpoordarvish, Amir; Hele, Timothy J. H.; Fuemmeler, Eric G.; Pun, Andrew B.; Yablon, Lauren M.; Low, Jonathan Z.; Paley, Daniel W.; Dean, Jacob C.; Choi, Bonnie; Scholes, Gregory D.; Steigerwald, Michael L.; Ananth, Nandini; McCamey, Dane R.; Sfeir, Matthew Y.; Campos, Luis M.","Tuning Singlet Fission in π-Bridge-π Chromophores.","Journal of the American Chemical Society","2017","139","36","12488","12494","10.1021/jacs.7b05204","","x-ray","1.54184","CuKα","","0.1162","0.0931","","","0.2452","0.2655","","","","","","1.074","","","","has coordinates,has disorder","241627","2020-10-21","18:00:00",""
"4131422","26.5637","0.0005","7.89746","0.00009","41.3109","0.0009","90","","106.605","0.002","90","","8305","0.3","99.8","0.5","99.8","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C91 H106 F6 Si4 -","- C91 H106 F6 Si4 -","- C364 H424 F24 Si16 -","4","0.5","","Kumarasamy, Elango; Sanders, Samuel N.; Tayebjee, Murad J. Y.; Asadpoordarvish, Amir; Hele, Timothy J. H.; Fuemmeler, Eric G.; Pun, Andrew B.; Yablon, Lauren M.; Low, Jonathan Z.; Paley, Daniel W.; Dean, Jacob C.; Choi, Bonnie; Scholes, Gregory D.; Steigerwald, Michael L.; Ananth, Nandini; McCamey, Dane R.; Sfeir, Matthew Y.; Campos, Luis M.","Tuning Singlet Fission in π-Bridge-π Chromophores.","Journal of the American Chemical Society","2017","139","36","12488","12494","10.1021/jacs.7b05204","","x-ray","1.54184","CuKα","","0.0781","0.0726","","","0.1983","0.2035","","","","","","1.107","","","","has coordinates,has disorder","241628","2020-10-21","18:00:00",""
"4131423","9.552","0.003","13.686","0.005","19.441","0.007","91.654","0.006","93.988","0.006","109.163","0.005","2391.2","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H69 N7 O Ru -","- C52 H69 N7 O Ru -","- C104 H138 N14 O2 Ru2 -","2","1","","Abucayon, Erwin G.; Powell, Douglas R.; Richter-Addo, George B","Carbon-Nitrogen and Nitrogen-Nitrogen Bond Formation from Nucleophilic Attack at Coordinated Nitrosyls in Fe and Ru Heme Models.","Journal of the American Chemical Society","2017","139","28","9495","9498","10.1021/jacs.7b05209","","","0.71073","MoKα","","0.0635","0.048","","","0.112","0.1187","","","","","","1.02","","","","has coordinates","241629","2020-10-21","18:00:00",""
"4131424","9.9756","0.0001","15.5846","0.0002","13.3924","0.0002","90","","101.861","0.001","90","","2037.61","0.05","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H32 F3 P Pd -","- C19 H32 F3 P Pd -","- C76 H128 F12 P4 Pd4 -","4","1","","Ferguson, Devin M.; Bour, James R.; Canty, Allan J.; Kampf, Jeff W.; Sanford, Melanie S.","Stoichiometric and Catalytic Aryl-Perfluoroalkyl Coupling at Tri-tert-butylphosphine Palladium(II) Complexes.","Journal of the American Chemical Society","2017","139","34","11662","11665","10.1021/jacs.7b05216","","","1.54184","CuKα","","0.0387","0.0385","","","0.1051","0.1052","","","","","","1.125","","","","has coordinates","241630","2020-10-21","18:00:00",""
"4131425","16.80637","0.00013","14.39046","0.0001","18.03556","0.00014","90","","90","","90","","4361.93","0.06","85","2","85","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H32 F5 P Pd -","- C20 H32 F5 P Pd -","- C160 H256 F40 P8 Pd8 -","8","1","","Ferguson, Devin M.; Bour, James R.; Canty, Allan J.; Kampf, Jeff W.; Sanford, Melanie S.","Stoichiometric and Catalytic Aryl-Perfluoroalkyl Coupling at Tri-tert-butylphosphine Palladium(II) Complexes.","Journal of the American Chemical Society","2017","139","34","11662","11665","10.1021/jacs.7b05216","","","1.54184","CuKα","","0.0235","0.0235","","","0.0598","0.0598","","","","","","1.093","","","","has coordinates","241631","2020-10-21","18:00:00",""
"4131426","13.3804","0.0007","8.6034","0.0004","15.1757","0.0007","90","","97.065","0.002","90","","1733.72","0.15","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","VM549-1","","","- C14 H17 Br F3 N O3 S -","- C14 H17 Br F3 N O3 S -","- C56 H68 Br4 F12 N4 O12 S4 -","4","2","","Guisán-Ceinos, Manuel; Martín-Heras, Victor; Tortosa, Mariola","Regio- and Stereospecific Copper-Catalyzed Substitution Reaction of Propargylic Ammonium Salts with Aryl Grignard Reagents.","Journal of the American Chemical Society","2017","139","25","8448","8451","10.1021/jacs.7b05273","","","0.71073","MoKα","","0.0611","0.0426","","","0.1075","0.1205","","","","","","1.053","","","","has coordinates","241632","2020-10-21","18:00:00",""
"4131427","11.0798","0.0004","16.3858","0.0007","19.5188","0.0009","88.435","0.002","84.999","0.002","77.037","0.002","3440.1","0.3","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C11 H20 Br3 N3 Si -","- C11 H20 Br3 N3 Si -","- C88 H160 Br24 N24 Si8 -","8","4","","Wendel, Daniel; Szilvási, Tibor; Jandl, Christian; Inoue, Shigeyoshi; Rieger, Bernhard","Twist of a Silicon-Silicon Double Bond: Selective Anti-Addition of Hydrogen to an Iminodisilene.","Journal of the American Chemical Society","2017","139","27","9156","9159","10.1021/jacs.7b05335","","x-ray","0.71073","MoKα","","0.0578","0.0428","","","0.0977","0.1049","","","","","","1.049","","","","has coordinates","241633","2020-10-21","18:00:00",""
"4131428","10.2224","0.0002","24.6439","0.0004","23.6839","0.0004","90","","95.701","0.001","90","","5936.93","0.18","100","","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H94 N6 Si10 -","- C40 H94 N6 Si10 -","- C160 H376 N24 Si40 -","4","1","","Wendel, Daniel; Szilvási, Tibor; Jandl, Christian; Inoue, Shigeyoshi; Rieger, Bernhard","Twist of a Silicon-Silicon Double Bond: Selective Anti-Addition of Hydrogen to an Iminodisilene.","Journal of the American Chemical Society","2017","139","27","9156","9159","10.1021/jacs.7b05335","","x-ray","0.71073","MoKα","","0.0534","0.0378","","","0.0848","0.09","","","","","","1.018","","","","has coordinates","241633","2020-10-21","18:00:00",""
"4131429","20.3289","0.0013","13.9624","0.0009","22.7699","0.0016","90","","113.931","0.002","90","","5907.4","0.7","100","","100","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H96 N6 Si10 -","- C40 H96 N6 Si10 -","- C160 H384 N24 Si40 -","4","1","","Wendel, Daniel; Szilvási, Tibor; Jandl, Christian; Inoue, Shigeyoshi; Rieger, Bernhard","Twist of a Silicon-Silicon Double Bond: Selective Anti-Addition of Hydrogen to an Iminodisilene.","Journal of the American Chemical Society","2017","139","27","9156","9159","10.1021/jacs.7b05335","","x-ray","0.71073","MoKα","","0.0417","0.0361","","","0.0843","0.0864","","","","","","1.095","","","","has coordinates","241633","2020-10-21","18:00:00",""
"4131430","14.2099","0.0003","18.1022","0.0003","24.359","0.0005","83.7821","0.0015","77.6045","0.0017","80.4089","0.0015","6017.1","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","(NacNacNMe2)Sc{NHB(NiPr)2C6H4}2","","- C45 H71 B2 N9 Sc -","- C45 H71 B2 N9 Sc -","- C180 H284 B8 N36 Sc4 -","4","2","","Clough, Benjamin A.; Mellino, Simona; Clot, Eric; Mountford, Philip","New Scandium Borylimido Chemistry: Synthesis, Bonding, and Reactivity.","Journal of the American Chemical Society","2017","139","32","11165","11183","10.1021/jacs.7b05405","","","1.5418","CuKα","","0.0789","0.0655","","0.0977","0.0784","0.0756","","","","","","1.0956","","","","has coordinates","241634","2020-10-21","18:00:00",""
"4131431","13.336","0.0004","12.8387","0.0005","19.8156","0.0005","90","","101.401","0.003","90","","3325.82","0.19","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[{u-MeC(N(Dipp)CHC(CH2-)(NCH2CH2NMe2}Sc{NHB(NiPr)2C6H4}]2","","- C66 H104 B2 N12 Sc2 -","- C66 H104 B2 N12 Sc2 -","- C132 H208 B4 N24 Sc4 -","2","0.5","","Clough, Benjamin A.; Mellino, Simona; Clot, Eric; Mountford, Philip","New Scandium Borylimido Chemistry: Synthesis, Bonding, and Reactivity.","Journal of the American Chemical Society","2017","139","32","11165","11183","10.1021/jacs.7b05405","","","1.54184","CuKα","","0.0576","0.0503","","0.0682","0.0587","0.0572","","","","","","1.1239","","","","has coordinates","241634","2020-10-21","18:00:00",""
"4131432","12.5904","0.0004","13.5664","0.0003","18.3909","0.0005","104.758","0.002","99.499","0.002","106.159","0.002","2821.95","0.15","150","","150","","","","","","","","","5","P -1","-P 1","2","","(NacNacNMe2)Sc(Me){NHB(NDippCH)2}","","- C48 H74 B N6 Sc -","- C48 H74 B N6 Sc -","- C96 H148 B2 N12 Sc2 -","2","1","","Clough, Benjamin A.; Mellino, Simona; Clot, Eric; Mountford, Philip","New Scandium Borylimido Chemistry: Synthesis, Bonding, and Reactivity.","Journal of the American Chemical Society","2017","139","32","11165","11183","10.1021/jacs.7b05405","","","1.5418","CuKα","","0.0417","0.0392","","0.025","0.0241","0.0238","","","","","","1.0447","","","","has coordinates","241634","2020-10-21","18:00:00",""
"4131433","24.865","0.0007","43.9807","0.0009","11.0806","0.0003","90","","122.244","0.004","90","","10248.8","0.6","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","{MeC(NC6H3iPrCH(Me)CH2)CHC(Me)(NCH2CH2NMe}Sc{NHB(NDippCH)2}","","- C47 H70 B N6 Sc -","- C47 H70 B N6 Sc -","- C376 H560 B8 N48 Sc8 -","8","2","","Clough, Benjamin A.; Mellino, Simona; Clot, Eric; Mountford, Philip","New Scandium Borylimido Chemistry: Synthesis, Bonding, and Reactivity.","Journal of the American Chemical Society","2017","139","32","11165","11183","10.1021/jacs.7b05405","","","1.5418","CuKα","","0.0852","0.0781","","0.0773","0.0755","0.0746","","","","","","1.045","","","","has coordinates,has disorder","241634","2020-10-21","18:00:00",""
"4131434","11.5957","0.0001","38.8679","0.0003","12.4206","0.0001","90","","109.223","0.0009","90","","5285.85","0.08","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(NacNacNMe2)Sc{N(B(NDippCH)2)C(Me)C(Ph)}","","- C56 H78 B N6 Sc -","- C56 H78 B N6 Sc -","- C224 H312 B4 N24 Sc4 -","4","1","","Clough, Benjamin A.; Mellino, Simona; Clot, Eric; Mountford, Philip","New Scandium Borylimido Chemistry: Synthesis, Bonding, and Reactivity.","Journal of the American Chemical Society","2017","139","32","11165","11183","10.1021/jacs.7b05405","","","1.5418","CuKα","","0.035","0.0345","","0.0157","0.0157","0.0156","","","","","","1.0262","","","","has coordinates","241634","2020-10-21","18:00:00",""
"4131435","7.8083","0.0011","7.8083","0.0011","37.905","0.008","90","","90","","120","","2001.4","0.6","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cs4 P4 Se12 Sn -","- Cs4 P3.96 Se11.988 Sn -","- Cs12 P11.88 Se35.964 Sn3 -","3","0.166667","","Haynes, Alyssa S.; Stoumpos, Constantinos C.; Chen, Haijie; Chica, Daniel; Kanatzidis, Mercouri G.","Panoramic Synthesis as an Effective Materials Discovery Tool: The System Cs/Sn/P/Se as a Test Case.","Journal of the American Chemical Society","2017","139","31","10814","10821","10.1021/jacs.7b05423","","","0.71073","MoKα","","0.093","0.0566","","","0.1085","0.1241","","","","","","1.054","","","","has coordinates","241635","2020-10-21","18:00:00",""
"4131436","10.2296","0.0014","12.9904","0.0011","10.9495","0.0015","90","","94.529","0.011","90","","1450.5","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs2 P2 Se6 Sn -","- Cs2 P2 Se6 Sn -","- Cs8 P8 Se24 Sn4 -","4","1","","Haynes, Alyssa S.; Stoumpos, Constantinos C.; Chen, Haijie; Chica, Daniel; Kanatzidis, Mercouri G.","Panoramic Synthesis as an Effective Materials Discovery Tool: The System Cs/Sn/P/Se as a Test Case.","Journal of the American Chemical Society","2017","139","31","10814","10821","10.1021/jacs.7b05423","","x-ray","0.71073","MoKα","","0.0973","0.0691","","","0.1456","0.1488","","","","3.71","3.71","3.17","","","","has coordinates","241635","2020-10-21","18:00:00",""
"4131437","7.6953","0.0011","7.6953","0.0011","18.797","0.004","90","","90","","120","","964","0.3","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Cs4 P4 Se20 Sn5 -","- Cs4 P3.96 Se20.06 Sn5 -","- Cs4 P3.96 Se20.06 Sn5 -","1","0.0833333","","Haynes, Alyssa S.; Stoumpos, Constantinos C.; Chen, Haijie; Chica, Daniel; Kanatzidis, Mercouri G.","Panoramic Synthesis as an Effective Materials Discovery Tool: The System Cs/Sn/P/Se as a Test Case.","Journal of the American Chemical Society","2017","139","31","10814","10821","10.1021/jacs.7b05423","","","0.71073","MoKα","","0.0473","0.0397","","","0.0837","0.0865","","","","","","1.238","","","","has coordinates","241635","2020-10-21","18:00:00",""
"4131438","67.017","0.003","31.4138","0.0015","32.1376","0.0017","90","","90","","90","","67658","6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C586 H580 Cl18 N66 O100.2 Ru6 -","- C586 H580 Cl18 N66 O100.2 Ru6 -","- C2344 H2320 Cl72 N264 O400.8 Ru24 -","4","0.5","","Korom, Saša; Ballester, Pablo","Attachment of a Ru<sup>II</sup> Complex to a Self-Folding Hexaamide Deep Cavitand.","Journal of the American Chemical Society","2017","139","35","12109","12112","10.1021/jacs.7b05458","","","0.71073","MoKα","","0.1581","0.1203","","","0.3444","0.3671","","","","","","1.306","","","","has coordinates,has disorder","241636","2020-10-21","18:00:00",""
"4131439","15.653","0.0014","16.8518","0.0017","21.323","0.003","97.556","0.004","101.633","0.004","117.144","0.003","4738.4","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H93 Cl6 N11 O14 -","- C97 H93 Cl6 N11 O14 -","- C194 H186 Cl12 N22 O28 -","2","1","","Korom, Saša; Ballester, Pablo","Attachment of a Ru<sup>II</sup> Complex to a Self-Folding Hexaamide Deep Cavitand.","Journal of the American Chemical Society","2017","139","35","12109","12112","10.1021/jacs.7b05458","","","0.71073","MoKα","","0.1543","0.1114","","","0.3108","0.3323","","","","","","1.962","","","","has coordinates,has disorder","241637","2020-10-21","18:00:00",""
"4131440","15.4705","0.0005","18.2238","0.0005","46.4128","0.0014","90","","90","","90","","13085.2","0.7","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H182 Br N O12 -","- C136 H182 Br N O12 -","- C544 H728 Br4 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54178","CuKα","","0.0533","0.0476","","","0.1218","0.126","","","","","","1.068","","","","has coordinates,has disorder","241638","2020-10-21","18:00:00",""
"4131441","15.4726","0.0002","18.2043","0.0003","46.434","0.0007","90","","90","","90","","13079","0.3","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H182 Cl N O12 -","- C136 H182 Cl N O12 -","- C544 H728 Cl4 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54178","CuKα","","0.0624","0.0499","","","0.1201","0.1276","","","","","","1.029","","","","has coordinates,has disorder","241639","2020-10-21","18:00:00",""
"4131442","15.6487","0.0004","18.7136","0.0004","43.2272","0.001","90","","90","","90","","12658.8","0.5","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C130.37 H171.94 Br0.4 F0.4 O12 -","- C130.364 H171.94 Br0.394 F0.394 O12 -","- C521.456 H687.76 Br1.576 F1.576 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0846","0.0572","","","0.1366","0.1499","","","","","","1.027","","","","has coordinates,has disorder","241640","2020-10-21","18:00:00",""
"4131443","46.4365","0.0004","18.25356","0.00012","15.48278","0.0001","90","","90","","90","","13123.7","0.17","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H181 Cl2 N O12 -","- C136 H181 Cl2 N O12 -","- C544 H724 Cl8 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0788","0.0729","","","0.216","0.223","","","","","","1.031","","","","has coordinates,has disorder","241641","2020-10-21","18:00:00",""
"4131444","15.6223","0.0002","18.7222","0.0003","43.2981","0.0007","90","","90","","90","","12664","0.3","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C130.29 H171.82 Br0.38 F0.38 O12 -","- C130.292 H171.82 Br0.382 F0.382 O12 -","- C521.168 H687.28 Br1.528 F1.528 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.1199","0.0771","","","0.1918","0.2152","","","","","","1.013","","","","has coordinates,has disorder","241642","2020-10-21","18:00:00",""
"4131445","15.4705","0.0003","18.2782","0.0003","46.1154","0.001","90","","90","","90","","13040.2","0.4","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H182 F N O12 -","- C136 H182 F N O12 -","- C544 H728 F4 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54178","CuKα","","0.0865","0.0692","","","0.1721","0.1812","","","","","","1.375","","","","has coordinates,has disorder","241643","2020-10-21","18:00:00",""
"4131446","15.4629","0.0001","18.2211","0.0001","46.7056","0.0003","90","","90","","90","","13159.3","0.14","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H181 Br2 N O12 -","- C136 H181 Br2 N O12 -","- C544 H724 Br8 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0568","0.0489","","","0.1294","0.1361","","","","","","1.042","","","","has coordinates,has disorder","241644","2020-10-21","18:00:00",""
"4131447","15.4654","0.0002","18.2121","0.0002","46.7197","0.0005","90","","90","","90","","13158.9","0.3","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H181 Cl2 N O12 -","- C136 H181 Cl2 N O12 -","- C544 H724 Cl8 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0787","0.0542","","","0.119","0.1587","","","","","","1.115","","","","has coordinates,has disorder","241645","2020-10-21","18:00:00",""
"4131448","15.4505","0.0001","18.1775","0.0002","46.8762","0.0004","90","","90","","90","","13165.2","0.2","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H181 Br2 N O12 -","- C136 H181 Br2 N O12 -","- C544 H724 Br8 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0405","0.0354","","","0.0863","0.0887","","","","","","1.023","","","","has coordinates,has disorder","241646","2020-10-21","18:00:00",""
"4131449","15.4375","0.0001","18.2003","0.0001","46.462","0.0003","90","","90","","90","","13054.3","0.14","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H182 I N O12 -","- C136 H182 I N O12 -","- C544 H728 I4 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0497","0.0446","","","0.1194","0.1233","","","","","","1.045","","","","has coordinates,has disorder","241647","2020-10-21","18:00:00",""
"4131450","15.4969","0.0001","18.2403","0.0001","46.6272","0.0003","90","","90","","90","","13180","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C138 H187 N O12 -","- C138 H187 N O12 -","- C552 H748 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0807","0.057","","","0.1351","0.1826","","","","","","1.128","","","","has coordinates,has disorder","241648","2020-10-21","18:00:00",""
"4131451","9.779","0.003","16.542","0.006","6.543","0.003","90","","90","","90","","1058.4","0.7","100","2","100","2","","","","","","","","4","F m m 2","F 2 -2","42","","","","- C14 H12 N P -","- C14 H11 N0.5 P0.5 -","- C56 H44 N2 P2 -","4","0.25","","Transue, Wesley J.; Velian, Alexandra; Nava, Matthew; García-Iriepa, Cristina; Temprado, Manuel; Cummins, Christopher C.","Mechanism and Scope of Phosphinidene Transfer from Dibenzo-7-phosphanorbornadiene Compounds.","Journal of the American Chemical Society","2017","139","31","10822","10831","10.1021/jacs.7b05464","","","0.71073","MoKα","","0.0414","0.0361","","","0.0879","0.0908","","","","","","1.058","","","","has coordinates,has disorder","241649","2020-10-21","18:00:00",""
"4131452","21.9571","0.0006","11.9882","0.0003","4.8706","0.0001","90","","90","","90","","1282.07","0.05","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H24 N P -","- C13 H24 N P -","- C52 H96 N4 P4 -","4","0.5","","Transue, Wesley J.; Velian, Alexandra; Nava, Matthew; García-Iriepa, Cristina; Temprado, Manuel; Cummins, Christopher C.","Mechanism and Scope of Phosphinidene Transfer from Dibenzo-7-phosphanorbornadiene Compounds.","Journal of the American Chemical Society","2017","139","31","10822","10831","10.1021/jacs.7b05464","","","0.71073","MoKα","","0.0327","0.0303","","","0.0836","0.0863","","","","","","1.064","","","","has coordinates,has disorder","241650","2020-10-21","18:00:00",""
"4131453","9.9421","0.0017","18.521","0.003","10.742","0.0019","90","","90","","90","","1978","0.6","123","2","123","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C28 H27 -","- C28 H27 -","- C112 H108 -","4","0.5","","Kushida, Tomokatsu; Shirai, Shusuke; Ando, Naoki; Okamoto, Toshihiro; Ishii, Hiroyuki; Matsui, Hiroyuki; Yamagishi, Masakazu; Uemura, Takafumi; Tsurumi, Junto; Watanabe, Shun; Takeya, Jun; Yamaguchi, Shigehiro","Boron-Stabilized Planar Neutral π-Radicals with Well-Balanced Ambipolar Charge-Transport Properties.","Journal of the American Chemical Society","2017","139","41","14336","14339","10.1021/jacs.7b05471","","","0.71075","MoKa","","0.0454","0.0411","","","0.1125","0.117","","","","","","1.053","","","","has coordinates","241651","2020-10-21","18:00:00",""
"4131454","11.072","0.003","10.956","0.003","11.177","0.003","90","","94.804","0.008","90","","1351.1","0.6","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H34 B -","- C37 H34 B -","- C74 H68 B2 -","2","1","","Kushida, Tomokatsu; Shirai, Shusuke; Ando, Naoki; Okamoto, Toshihiro; Ishii, Hiroyuki; Matsui, Hiroyuki; Yamagishi, Masakazu; Uemura, Takafumi; Tsurumi, Junto; Watanabe, Shun; Takeya, Jun; Yamaguchi, Shigehiro","Boron-Stabilized Planar Neutral π-Radicals with Well-Balanced Ambipolar Charge-Transport Properties.","Journal of the American Chemical Society","2017","139","41","14336","14339","10.1021/jacs.7b05471","","","0.71075","MoKa","","0.0832","0.0354","","","0.0743","0.0842","","","","","","0.815","","","","has coordinates","241652","2020-10-21","18:00:00",""
"4131455","11.905","0.003","9.727","0.002","26.288","0.006","90","","90","","90","","3044.1","1.2","123","2","123","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C41 H42 B -","- C41 H42 B -","- C164 H168 B4 -","4","1","","Kushida, Tomokatsu; Shirai, Shusuke; Ando, Naoki; Okamoto, Toshihiro; Ishii, Hiroyuki; Matsui, Hiroyuki; Yamagishi, Masakazu; Uemura, Takafumi; Tsurumi, Junto; Watanabe, Shun; Takeya, Jun; Yamaguchi, Shigehiro","Boron-Stabilized Planar Neutral π-Radicals with Well-Balanced Ambipolar Charge-Transport Properties.","Journal of the American Chemical Society","2017","139","41","14336","14339","10.1021/jacs.7b05471","","","0.71075","MoKa","","0.1056","0.0589","","","0.1137","0.1362","","","","","","1.049","","","","has coordinates","241653","2020-10-21","18:00:00",""
"4131456","18.4342","0.001","19.3195","0.0012","21.7657","0.0012","90","","90","","90","","7751.6","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H60 N2 Ni Si2 -","- C37 H60 N2 Ni Si2 -","- C296 H480 N16 Ni8 Si16 -","8","1","","Elsby, Matthew R.; Johnson, Samuel A.","Nickel-Catalyzed C-H Silylation of Arenes with Vinylsilanes: Rapid and Reversible β-Si Elimination.","Journal of the American Chemical Society","2017","139","27","9401","9407","10.1021/jacs.7b05574","","","0.71073","MoKα","","0.0768","0.0422","","","0.0847","0.0979","","","","","","1.019","","","","has coordinates","241654","2020-10-21","18:00:00",""
"4131457","11.9002","0.0017","11.0146","0.0015","18.542","0.002","90","","97.281","0.003","90","","2410.8","0.5","173","2","173","2","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H40 N2 Ni Si2 -","- C19 H40 N2 Ni Si2 -","- C76 H160 N8 Ni4 Si8 -","4","1","","Elsby, Matthew R.; Johnson, Samuel A.","Nickel-Catalyzed C-H Silylation of Arenes with Vinylsilanes: Rapid and Reversible β-Si Elimination.","Journal of the American Chemical Society","2017","139","27","9401","9407","10.1021/jacs.7b05574","","x-ray","0.71073","MoKα","","0.0986","0.0762","","","0.1163","0.1247","","","","","","1.235","","","","has coordinates","241655","2020-10-21","18:00:00",""
"4131458","9.3283","0.0007","17.1662","0.0013","18.2968","0.0014","72.69","0.002","88.651","0.002","80.555","0.002","2758.3","0.4","293","2","293","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C23 H44 N4 Ni Si -","- C23 H44 N4 Ni Si -","- C92 H176 N16 Ni4 Si4 -","4","2","","Elsby, Matthew R.; Johnson, Samuel A.","Nickel-Catalyzed C-H Silylation of Arenes with Vinylsilanes: Rapid and Reversible β-Si Elimination.","Journal of the American Chemical Society","2017","139","27","9401","9407","10.1021/jacs.7b05574","","x-ray","0.71073","MoKα","","0.0901","0.0492","","","0.0784","0.0889","","","","","","1.034","","","","has coordinates","241656","2020-10-21","18:00:00",""
"4131459","15.1112","0.0006","9.7018","0.0002","19.4687","0.0006","90","","105.319","0.004","90","","2752.81","0.16","125","","125","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 N2 O4 S -","- C29 H32 N2 O4 S -","- C116 H128 N8 O16 S4 -","4","2","","Spoehrle, Stéphanie S M; West, Thomas H.; Taylor, James E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Tandem Palladium and Isothiourea Relay Catalysis: Enantioselective Synthesis of α-Amino Acid Derivatives via Allylic Amination and [2,3]-Sigmatropic Rearrangement.","Journal of the American Chemical Society","2017","139","34","11895","11902","10.1021/jacs.7b05619","","","1.54187","CuKα","","0.0863","0.0667","","","0.1734","0.1997","","","","","","0.854","","","","has coordinates","241657","2020-10-21","18:00:00",""
"4131460","9.9648","0.0002","34.1529","0.0006","13.0537","0.0002","90","","106.465","0.001","90","","4260.35","0.13","150","0.1","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 Pd -","- C10 H12 N4 Pd -","- C160 H192 N64 Pd16 -","16","4","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.0523","0.0423","","","0.1038","0.1087","","","","","","1.07","","","","has coordinates","241658","2020-10-21","18:00:00",""
"4131461","10.6656","0.0004","19.2667","0.0008","16.5845","0.0006","90","","90.872","0.002","90","","3407.6","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N4 Pd -","- C12 H12 N4 Pd -","- C144 H144 N48 Pd12 -","12","1.5","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","x-ray","0.71073","MoKα","","0.0607","0.0496","","","0.1185","0.1345","","","","","","1.244","","","","has coordinates","241658","2020-10-21","18:00:00",""
"4131462","9.5134","0.0005","10.8285","0.0005","16.8791","0.0009","103.211","0.002","94.076","0.002","93.172","0.002","1683.92","0.15","150","0.1","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H50 N4 Pd Yb -","- C37 H50 N4 Pd Yb -","- C74 H100 N8 Pd2 Yb2 -","2","1","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.0152","0.0149","","","0.0401","0.0403","","","","","","1.012","","","","has coordinates,has disorder","241658","2020-10-21","18:00:00",""
"4131463","10.2105","0.0003","16.5219","0.0006","21.1056","0.0005","90","","90.146","0.002","90","","3560.44","0.19","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 N4 Pd Yb -","- C32 H42 N4 Pd Yb -","- C128 H168 N16 Pd4 Yb4 -","4","1","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.0704","0.0561","","","0.1249","0.134","","","","","","1.083","","","","has coordinates","241658","2020-10-21","18:00:00",""
"4131464","13.4366","0.0004","17.8758","0.0003","19.6295","0.0005","90","","108.193","0.001","90","","4479.12","0.19","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H51 I N4 O Pd Yb -","- C36 H51 I N4 O Pd Yb -","- C144 H204 I4 N16 O4 Pd4 Yb4 -","4","1","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.0481","0.0409","","","0.1108","0.1168","","","","","","1.052","","","","has coordinates","241658","2020-10-21","18:00:00",""
"4131465","10.4545","0.0005","17.5951","0.0007","13.9967","0.0008","90","","110.081","0.002","90","","2418.1","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 I2 N8 Pd2 -","- C22 H18 I2 N8 Pd2 -","- C88 H72 I8 N32 Pd8 -","4","1","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.1032","0.0823","","","0.1975","0.215","","","","","","1.08","","","","has coordinates,has disorder","241658","2020-10-21","18:00:00",""
"4131466","27.1623","0.0009","12.2012","0.0005","15.2011","0.0005","90","","90","","90","","5037.8","0.3","150","0.1","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C52 H69 I N4 Pd Yb -","- C31 H45 I N4 Pd Yb -","- C124 H180 I4 N16 Pd4 Yb4 -","4","0.5","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.0548","0.0412","","","0.116","0.1224","","","","","","1.052","","","","has coordinates","241658","2020-10-21","18:00:00",""
"4131467","6.936","0.0003","14.4872","0.0007","14.8067","0.0006","90","","94.349","0.003","90","","1483.54","0.11","150","0.1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 I N4 Pd -","- C13 H15 I N4 Pd -","- C52 H60 I4 N16 Pd4 -","4","1","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.0737","0.0439","","","0.0947","0.1067","","","","","","1.005","","","","has coordinates","241658","2020-10-21","18:00:00",""
"4131468","14.897","0.0007","8.3746","0.0004","11.6722","0.0006","90","","105.645","0.002","90","","1402.23","0.12","150","0.1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 I N4 Pd -","- C11 H15 I N4 Pd -","- C44 H60 I4 N16 Pd4 -","4","1","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.0338","0.0291","","","0.0775","0.0817","","","","","","1.037","","","","has coordinates","241658","2020-10-21","18:00:00",""
"4131469","7.912","0.002","11.836","0.003","13.51","0.004","81.434","0.008","88.885","0.009","78.74","0.006","1226.9","0.6","93","","93","","","","","","","","","5","P 1","P 1","1","","","","- C19 H30 N2 S2 Si4 -","- C19 H30 N2 S2 Si4 -","- C38 H60 N4 S4 Si8 -","2","2","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.71075","MoKα","","","0.0406","","","","0.1034","","","","","","1.044","","","","has coordinates","241659","2020-10-21","18:00:00",""
"4131470","8.156","0.004","13.965","0.006","22.5205","0.001","90","","94.157","0.008","90","","2558.3","1.7","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 N2 O2 S2 Si4 -","- C20 H26 N2 O2 S2 Si4 -","- C80 H104 N8 O8 S8 Si16 -","4","1","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.71075","MoKα","","","0.0501","","","","0.1128","","","","","","1.097","","","","has coordinates","241660","2020-10-21","18:00:00",""
"4131471","23.3109","0.0009","23.5067","0.0008","24.241","0.0009","111.063","0.0009","100.297","0.001","92.7909","0.0011","12103.5","0.8","93","","93","","","","","","","","","10","P -1","-P 1","2","","","","- C251 H234 Ag4 Cl6 F24 N8 O6 S4 Sb4 Si8 -","- C251 H234 Ag4 Cl6 F24 N8 O6 S4 Sb4 Si8 -","- C502 H468 Ag8 Cl12 F48 N16 O12 S8 Sb8 Si16 -","2","1","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.71075","MoKα","","0.1799","0.1052","","","0.2923","0.3406","","","","","","1.056","","","","has coordinates","241661","2020-10-21","18:00:00",""
"4131472","8.327","0.005","11.182","0.006","14.842","0.009","74.592","0.016","88.77","0.03","79.46","0.03","1309.3","1.3","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 N2 S2 Si4 -","- C20 H32 N2 S2 Si4 -","- C40 H64 N4 S4 Si8 -","2","1","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.7107","MoKα","","","0.0798","","","","0.2085","","","","","","1.09","","","","has coordinates","241662","2020-10-21","18:00:00",""
"4131473","6.8068","0.0005","13.8764","0.001","11.7221","0.0008","90","","97.501","0.005","90","","1097.72","0.14","113","","113","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 S2 Si4 -","- C16 H28 S2 Si4 -","- C32 H56 S4 Si8 -","2","0.5","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.7107","MoKα","","","0.0395","","","","0.083","","","","","","1.099","","","","has coordinates","241663","2020-10-21","18:00:00",""
"4131474","7.911","0.003","11.84","0.005","13.499","0.006","81.369","0.011","88.853","0.012","78.737","0.01","1226","0.9","93","","93","","","","","","","","","5","P 1","P 1","1","","","","- C19 H30 N2 S2 Si4 -","- C19 H30 N2 S2 Si4 -","- C38 H60 N4 S4 Si8 -","2","2","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.71075","MoKα","","","0.0896","","","","0.2435","","","","","","1.055","","","","has coordinates","241664","2020-10-21","18:00:00",""
"4131475","8.437","0.003","11.874","0.004","23.696","0.008","90","","98.704","0.004","90","","2346.5","1.4","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 N2 S2 Si4 -","- C18 H28 N2 S2 Si4 -","- C72 H112 N8 S8 Si16 -","4","1","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.71075","MoKα","","0.0414","0.0364","","","0.0869","0.0904","","","","","","1.062","","","","has coordinates","241665","2020-10-21","18:00:00",""
"4131476","24.1978","0.0008","13.0182","0.0004","15.5051","0.0006","90","","120.318","0.0014","90","","4216.3","0.3","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H62 Li2 O4 -","- C50 H62 Li2 O4 -","- C200 H248 Li8 O16 -","4","0.5","","Konishi, Akihito; Okada, Yui; Nakano, Motohiro; Sugisaki, Kenji; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto","Synthesis and Characterization of Dibenzo[a,f]pentalene: Harmonization of the Antiaromatic and Singlet Biradical Character.","Journal of the American Chemical Society","2017","139","43","15284","15287","10.1021/jacs.7b05709","","","1.54187","CuKα","","","0.1013","","","","0.1367","","","","","","1.078","","","","has coordinates","241666","2020-10-21","18:00:00",""
"4131477","22.1584","0.0008","8.1173","0.0003","15.404","0.0005","90","","108.436","0.002","90","","2628.46","0.16","123","","123","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 -","- C36 H34 -","- C144 H136 -","4","0.5","","Konishi, Akihito; Okada, Yui; Nakano, Motohiro; Sugisaki, Kenji; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto","Synthesis and Characterization of Dibenzo[a,f]pentalene: Harmonization of the Antiaromatic and Singlet Biradical Character.","Journal of the American Chemical Society","2017","139","43","15284","15287","10.1021/jacs.7b05709","","","1.54187","CuKα","","","0.0953","","","","0.1358","","","","","","0.843","","","","has coordinates","241667","2020-10-21","18:00:00",""
"4131478","8.05357","0.00015","16.8194","0.0003","21.1151","0.0004","77.4803","0.0007","89.0213","0.0007","79.9661","0.0007","2748.82","0.09","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C72.5 H69 Cl -","- C72.5 H69 Cl -","- C145 H138 Cl2 -","2","1","","Konishi, Akihito; Okada, Yui; Nakano, Motohiro; Sugisaki, Kenji; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto","Synthesis and Characterization of Dibenzo[a,f]pentalene: Harmonization of the Antiaromatic and Singlet Biradical Character.","Journal of the American Chemical Society","2017","139","43","15284","15287","10.1021/jacs.7b05709","","","1.54187","CuKα","","0.0674","0.0506","","","0.1391","0.1567","","","","","","1.132","","","","has coordinates,has disorder","241668","2020-10-21","18:00:00",""
"4131479","12.941","0.0007","12.5206","0.0008","16.3057","0.001","90","","106.164","0.0016","90","","2537.6","0.3","123","","123","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 -","- C34 H32 -","- C136 H128 -","4","1","","Konishi, Akihito; Okada, Yui; Nakano, Motohiro; Sugisaki, Kenji; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto","Synthesis and Characterization of Dibenzo[a,f]pentalene: Harmonization of the Antiaromatic and Singlet Biradical Character.","Journal of the American Chemical Society","2017","139","43","15284","15287","10.1021/jacs.7b05709","","","0.71075","MoKα","","","0.0543","","","","0.0801","","","","","","2.014","","","","has coordinates","241669","2020-10-21","18:00:00",""
"4131480","12.8242","0.0002","16.9411","0.0003","19.1569","0.0003","76.451","0.001","83.436","0.001","69.514","0.001","3787.85","0.11","150.01","0.1","150.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C82 H61 B F24 N O4 P2 Rh -","- C82 H61 B F24 N O4 P2 Rh -","- C164 H122 B2 F48 N2 O8 P4 Rh2 -","2","1","","Coxon, Thomas J.; Fernández, Maitane; Barwick-Silk, James; McKay, Alasdair I.; Britton, Louisa E.; Weller, Andrew S.; Willis, Michael C.","Exploiting Carbonyl Groups to Control Intermolecular Rhodium-Catalyzed Alkene and Alkyne Hydroacylation.","Journal of the American Chemical Society","2017","139","29","10142","10149","10.1021/jacs.7b05713","","x-ray","1.54184","CuKα","","0.0284","0.0272","","","0.0701","0.0713","","","","","","1.017","","","","has coordinates,has disorder","241670","2020-10-21","18:00:00",""
"4131481","6.8696","0.0003","8.582","0.0003","9.9548","0.0004","105.668","0.003","98.054","0.003","98.994","0.002","547.78","0.04","100","","99.97","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H9 N -","- C17 H9 N -","- C34 H18 N2 -","2","1","","Cueny, Eric S.; Johnson, Heather C.; Anding, Bernie J.; Landis, Clark R.","Mechanistic Studies of Hafnium-Pyridyl Amido-Catalyzed 1-Octene Polymerization and Chain Transfer Using Quench-Labeling Methods.","Journal of the American Chemical Society","2017","139","34","11903","11912","10.1021/jacs.7b05729","","x-ray","1.54178","CuKα","K-L~3~","0.0374","0.0363","","","0.112","0.1136","","","","","","1.065","","","","has coordinates","241671","2020-10-21","18:00:00",""
"4131482","12.8398","0.0009","19.9194","0.0014","25.2286","0.0017","84.759","0.003","83.894","0.003","77.729","0.003","6253.6","0.8","150","","150","","","","","","","","","5","P -1","-P 1","2","[LCu(OOCm)][NEt4]","","","- C132 H184 Cu2 N8 O16 -","- C132 H184 Cu2 N8 O16 -","- C264 H368 Cu4 N16 O32 -","2","1","","Neisen, Benjamin D.; Gagnon, Nicole L.; Dhar, Debanjan; Spaeth, Andrew D.; Tolman, William B.","Formally Copper(III)-Alkylperoxo Complexes as Models of Possible Intermediates in Monooxygenase Enzymes.","Journal of the American Chemical Society","2017","139","30","10220","10223","10.1021/jacs.7b05754","","","1.54178","CuKα","","0.0605","0.0519","","","0.137","0.1469","","","","","","1.036","","","","has coordinates,has disorder","241672","2020-10-21","18:00:00",""
"4131483","10.9539","0.0002","13.0791","0.0002","15.0451","0.0003","90","","92.883","0.001","90","","2152.74","0.07","123","2","123","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","[LCu(OOtBu)][NEt4]","","","- C21.5 H33 Cu0.5 N2 O2.5 -","- C21.5 H33 Cu0.5 N2 O2.5 -","- C86 H132 Cu2 N8 O10 -","4","1","","Neisen, Benjamin D.; Gagnon, Nicole L.; Dhar, Debanjan; Spaeth, Andrew D.; Tolman, William B.","Formally Copper(III)-Alkylperoxo Complexes as Models of Possible Intermediates in Monooxygenase Enzymes.","Journal of the American Chemical Society","2017","139","30","10220","10223","10.1021/jacs.7b05754","","","1.54178","CuKα","","0.0697","0.058","","","0.1526","0.1626","","","","","","1.045","","","","has coordinates,has disorder","288473","2023-12-21","14:16:42",""
"4131484","31.3706","0.0016","31.5616","0.0016","33.5735","0.0015","65.91","0.002","67.466","0.002","62.464","0.003","26120","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C526 H317 F24 Fe4 N48 Ni6 O24.5 S8 -","- C518.05 H311 F6.6 Fe4 N48 Ni6 O7.7 S2.3 -","- C1036.1 H622 F13.2 Fe8 N96 Ni12 O15.4 S4.6 -","2","1","","Rizzuto, Felix J.; Wood, Daniel M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Tuning the Redox Properties of Fullerene Clusters within a Metal-Organic Capsule.","Journal of the American Chemical Society","2017","139","32","11008","11011","10.1021/jacs.7b05788","","","0.6889","synchrotron","","0.2004","0.131","","","0.3251","0.3751","","","","","","1.126","","","","has coordinates,has disorder","241674","2020-10-21","18:00:00",""
"4131485","38.8188","0.0008","38.8188","0.0008","111.372","0.003","90","","90","","120","","145342","6","100","2","100","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C435 H344.5 B8 F32 Fe4 N54.5 Ni6 O13 -","- C434.995 H344.5 B3 F12 Fe4 N54.5001 Ni6 O13.0002 -","- C5219.94 H4134.01 B36 F144 Fe48 N654.001 Ni72 O156.002 -","12","0.333333","","Rizzuto, Felix J.; Wood, Daniel M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Tuning the Redox Properties of Fullerene Clusters within a Metal-Organic Capsule.","Journal of the American Chemical Society","2017","139","32","11008","11011","10.1021/jacs.7b05788","","","0.6889","Synchrotron","","0.1546","0.1424","","","0.3763","0.3879","","","","","","1.148","","","","has coordinates,has disorder","241675","2020-10-21","18:00:00",""
"4131486","11.6264","0.0018","16.274","0.002","17.868","0.003","64.226","0.005","82.203","0.005","78.775","0.005","2981.2","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","WH","","","- C125 H138 Cl N4 P4 Pt2 S10 -","- C125 H138.008 Cl N4 P4 Pt2 S10 -","- C125 H138.008 Cl N4 P4 Pt2 S10 -","1","0.5","","He, Wenhan; Livshits, Maksim Y.; Dickie, Diane A.; Zhang, Zhen; Mejiaortega, Luis E.; Rack, Jeffrey J.; Wu, Qin; Qin, Yang","""Roller-Wheel""-Type Pt-Containing Small Molecules and the Impact of ""Rollers"" on Material Crystallinity, Electronic Properties, and Solar Cell Performance.","Journal of the American Chemical Society","2017","139","40","14109","14119","10.1021/jacs.7b05801","","","0.71073","MoKα","","0.1785","0.066","","","0.1335","0.1724","","","","","","0.974","","","","has coordinates,has disorder","241676","2020-10-21","18:00:00",""
"4131487","26.85","0.005","12.056","0.002","36.707","0.007","90","","109.18","0.03","90","","11223","4","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H76 F6 N14 O7.5 -","- C44 H76 F6 N14 O7.5 -","- C352 H608 F48 N112 O60 -","8","4","","Bécart, Diane; Diemer, Vincent; Salaün, Arnaud; Oiarbide, Mikel; Nelli, Yella Reddy; Kauffmann, Brice; Fischer, Lucile; Palomo, Claudio; Guichard, Gilles","Helical Oligourea Foldamers as Powerful Hydrogen Bonding Catalysts for Enantioselective C-C Bond-Forming Reactions.","Journal of the American Chemical Society","2017","139","36","12524","12532","10.1021/jacs.7b05802","","","1.54178","CuKα","","0.0977","0.0656","","","0.152","0.1689","","","","","","0.966","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4131488","12.085","0.002","16.11","0.003","16.872","0.003","108.71","0.03","104.35","0.03","97.82","0.03","2929.8","1.3","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C45 H79 F6 N14 O7 S -","- C45 H79 F6 N14 O7 S -","- C90 H158 F12 N28 O14 S2 -","2","2","","Bécart, Diane; Diemer, Vincent; Salaün, Arnaud; Oiarbide, Mikel; Nelli, Yella Reddy; Kauffmann, Brice; Fischer, Lucile; Palomo, Claudio; Guichard, Gilles","Helical Oligourea Foldamers as Powerful Hydrogen Bonding Catalysts for Enantioselective C-C Bond-Forming Reactions.","Journal of the American Chemical Society","2017","139","36","12524","12532","10.1021/jacs.7b05802","","","1.54178","CuKα","","0.0763","0.0754","","","0.1771","0.1795","","","","","","1.124","","","","has coordinates","241678","2020-10-21","18:00:00",""
"4131489","13.9547","0.0003","16.1574","0.0003","22.4255","0.0016","90","","90","","90","","5056.3","0.4","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H85 N13 O9 -","- C42 H85 N13 O9 -","- C168 H340 N52 O36 -","4","1","","Bécart, Diane; Diemer, Vincent; Salaün, Arnaud; Oiarbide, Mikel; Nelli, Yella Reddy; Kauffmann, Brice; Fischer, Lucile; Palomo, Claudio; Guichard, Gilles","Helical Oligourea Foldamers as Powerful Hydrogen Bonding Catalysts for Enantioselective C-C Bond-Forming Reactions.","Journal of the American Chemical Society","2017","139","36","12524","12532","10.1021/jacs.7b05802","","","1.54187","CuKα","","0.0365","0.0343","","","0.0826","0.0844","","","","","","1.074","","","","has coordinates","241679","2020-10-21","18:00:00",""
"4131490","9.799","0.002","21.455","0.004","24.701","0.005","90","","90","","90","","5193.1","1.8","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H64 F6 N12 O8 -","- C37 H64 F6 N12 O8 -","- C148 H256 F24 N48 O32 -","4","1","","Bécart, Diane; Diemer, Vincent; Salaün, Arnaud; Oiarbide, Mikel; Nelli, Yella Reddy; Kauffmann, Brice; Fischer, Lucile; Palomo, Claudio; Guichard, Gilles","Helical Oligourea Foldamers as Powerful Hydrogen Bonding Catalysts for Enantioselective C-C Bond-Forming Reactions.","Journal of the American Chemical Society","2017","139","36","12524","12532","10.1021/jacs.7b05802","","","1.54178","CuKα","","0.0626","0.0455","","","0.1132","0.119","","","","","","1.018","","","","has coordinates,has disorder","241680","2020-10-21","18:00:00",""
"4131491","15.2126","0.0008","15.6715","0.0005","23.6347","0.0008","90","","90","","90","","5634.6","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H78 F6 N14 O6 S -","- C46 H78 F6 N14 O6 S -","- C184 H312 F24 N56 O24 S4 -","4","1","","Bécart, Diane; Diemer, Vincent; Salaün, Arnaud; Oiarbide, Mikel; Nelli, Yella Reddy; Kauffmann, Brice; Fischer, Lucile; Palomo, Claudio; Guichard, Gilles","Helical Oligourea Foldamers as Powerful Hydrogen Bonding Catalysts for Enantioselective C-C Bond-Forming Reactions.","Journal of the American Chemical Society","2017","139","36","12524","12532","10.1021/jacs.7b05802","","","1.5418","CuKα","","0.1131","0.0986","","","0.2249","0.2685","","","","","","1.121","","","","has coordinates","241681","2020-10-21","18:00:00",""
"4131492","6.509","0.003","23.099","0.009","13.865","0.006","90","","91.342","0.006","90","","2084.1","1.5","98","","98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 N2 O3 Si -","- C21 H32 N2 O3 Si -","- C84 H128 N8 O12 Si4 -","4","1","","Cheng, Qing-Qing; Lankelma, Marianne; Wherritt, Daniel; Arman, Hadi; Doyle, Michael P.","Divergent Rhodium-Catalyzed Cyclization Reactions of Enoldiazoacetamides with Nitrosoarenes.","Journal of the American Chemical Society","2017","139","29","9839","9842","10.1021/jacs.7b05840","","","0.71075","MoKα","","0.0688","0.0624","","","0.1349","0.1403","","","","","","1.061","","","","has coordinates","241682","2020-10-21","18:00:00",""
"4131493","25.138","0.006","6.5629","0.0016","17.174","0.004","90","","108.297","0.005","90","","2690.1","1.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O2 -","- C18 H14 O2 -","- C144 H112 O16 -","8","2","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.1181","0.0613","","","0.1392","0.1621","","","","","","1.072","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4131494","8.6883","0.0006","8.9079","0.0006","12.8744","0.0009","100.18","0.002","99.217","0.003","109.994","0.002","895.01","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H15 F3 O2 -","- C24 H15 F3 O2 -","- C48 H30 F6 O4 -","2","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","1.54178","CuKα","","0.0349","0.0339","","","0.089","0.09","","","","","","1.048","","","","has coordinates","241684","2020-10-21","18:00:00",""
"4131495","20.087","0.005","8.0724","0.0018","19.633","0.005","90","","90","","90","","3183.5","1.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C19 H15 Br O2 -","- C19 H15 Br O2 -","- C152 H120 Br8 O16 -","8","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.0786","0.0412","","","0.0969","0.1101","","","","","","1.034","","","","has coordinates","241685","2020-10-21","18:00:00",""
"4131496","28.482","0.008","7.523","0.002","17.072","0.005","90","","90","","90","","3658","1.8","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H15 F3 O2 -","- C24 H15 F3 O2 -","- C192 H120 F24 O16 -","8","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.0903","0.0611","","","0.1407","0.155","","","","","","1.068","","","","has coordinates","241686","2020-10-21","18:00:00",""
"4131497","9.6975","0.0008","9.1414","0.0008","18.7257","0.0016","90","","92.867","0.002","90","","1657.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C92 H64 O8 -","4","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.0572","0.0398","","","0.0932","0.1024","","","","","","1.019","","","","has coordinates","241687","2020-10-21","18:00:00",""
"4131498","28.897","0.005","6.4009","0.0009","17.085","0.003","90","","104.057","0.006","90","","3065.5","0.9","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C160 H128 O32 -","8","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","1.54178","CuKα","","0.0408","0.0333","","","0.0914","0.0941","","","","","","1.03","","","","has coordinates","241688","2020-10-21","18:00:00",""
"4131499","10.505","0.005","15.956","0.007","7.986","0.004","90","","98.052","0.01","90","","1325.4","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Br O2 -","- C17 H11 Br O2 -","- C68 H44 Br4 O8 -","4","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.0453","0.031","","","0.0737","0.0785","","","","","","1.022","","","","has coordinates","241689","2020-10-21","18:00:00",""
"4131500","9.573","0.003","17.291","0.005","10.693","0.003","90","","112.066","0.007","90","","1640.3","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C92 H64 O8 -","4","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.1271","0.0943","","","0.2759","0.3046","","","","","","1.082","","","","has coordinates","241691","2020-10-21","18:00:00",""
"4131501","10.7155","0.0008","8.5011","0.0005","17.9927","0.0013","90","","90.07","0.002","90","","1639","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C92 H64 O8 -","4","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.0588","0.0368","","","0.079","0.0876","","","","","","1.009","","","","has coordinates","241692","2020-10-21","18:00:00",""
"4131502","9.6878","0.0006","23.1088","0.0014","9.8408","0.0006","90","","117.347","0.0018","90","","1956.9","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O4 S -","- C19 H22 N2 O4 S -","- C76 H88 N8 O16 S4 -","4","1","","Wilkerson-Hill, Sidney M; Yu, Diana; Painter, Phillip P.; Fisher, Ethan L.; Tantillo, Dean J.; Sarpong, Richmond; Hein, Jason E.","Mechanism of a No-Metal-Added Heterocycloisomerization of Alkynylcyclopropylhydrazones: Synthesis of Cycloheptane-Fused Aminopyrroles Facilitated by Copper Salts at Trace Loadings.","Journal of the American Chemical Society","2017","139","30","10569","10577","10.1021/jacs.7b06007","","x-ray","0.71073","MoKα","","0.0599","0.043","","","0.0998","0.1099","","","","","","1.032","","","","has coordinates","241693","2020-10-21","18:00:00",""
"4131503","28.1144","0.001","17.0847","0.0005","10.0476","0.0003","90","","97.743","0.002","90","","4782.1","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","SMHVI-hydrazone","sarpong66","","- C21.05 H24.05 N2 O4 S -","- C21.052 H24.052 N2 O4 S -","- C168.416 H192.416 N16 O32 S8 -","8","1","","Wilkerson-Hill, Sidney M; Yu, Diana; Painter, Phillip P.; Fisher, Ethan L.; Tantillo, Dean J.; Sarpong, Richmond; Hein, Jason E.","Mechanism of a No-Metal-Added Heterocycloisomerization of Alkynylcyclopropylhydrazones: Synthesis of Cycloheptane-Fused Aminopyrroles Facilitated by Copper Salts at Trace Loadings.","Journal of the American Chemical Society","2017","139","30","10569","10577","10.1021/jacs.7b06007","","","1.54178","CuKα","","0.0599","0.0539","","","0.1644","0.1695","","","","","","1.058","","","","has coordinates","241694","2020-10-21","18:00:00",""
"4131504","9.821","0.002","9.821","0.002","8.2067","0.0016","90","","90","","120","","685.5","0.2","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C6 H14 I3 N2 Rb -","- C6 H14 I3 N2 Rb -","- C12 H28 I6 N4 Rb2 -","2","0.166667","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.0284","0.0279","","","0.0609","0.0611","","","","","","1.052","","","","has coordinates","241695","2020-10-21","18:00:00",""
"4131505","6.635","0.007","6.635","0.007","6.635","0.007","90","","90","","90","","292.1","0.5","458","2","458","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C6 H14 Cl3 N2 Rb -","- C10.6668 Cl3 Rb -","- C10.6668 Cl3 Rb -","1","0.0208333","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.0648","0.0648","","","0.192","0.192","","","","","","1.032","","","","has coordinates","241696","2020-10-21","18:00:00",""
"4131506","6.798","0.002","6.798","0.002","6.798","0.002","90","","90","","90","","314.15","0.16","353","2","353","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C6 H14 Br3 N2 Rb -","- C10.6668 Br3 Rb -","- C10.6668 Br3 Rb -","1","0.0208333","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.0702","0.067","","","0.1401","0.1426","","","","","","1.033","","","","has coordinates","241697","2020-10-21","18:00:00",""
"4131507","9.6444","0.0014","9.6444","0.0014","23.254","0.005","90","","90","","120","","1873.2","0.6","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C6 H14 Br3 N2 Rb -","- C6 H14 Br3 N2 Rb -","- C36 H84 Br18 N12 Rb6 -","6","1","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.104","0.0652","","","0.1127","0.1241","","","","","","1.11","","","","has coordinates","241698","2020-10-21","18:00:00",""
"4131508","9.401","0.003","9.401","0.003","22.513","0.008","90","","90","","120","","1723.1","1","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C6 H14 Cl3 N2 Rb -","- C6 H14 Cl3 N2 Rb -","- C36 H84 Cl18 N12 Rb6 -","6","1","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.0517","0.0349","","","0.074","0.0809","","","","","","1.016","","","","has coordinates","241699","2020-10-21","18:00:00",""
"4131509","7.3827","0.0009","7.3827","0.0009","7.3827","0.0009","90","","90","","90","","402.39","0.08","293","2","293","2","","","","","","","","5","P 4 3 2","P 4 2 3","207","","","","- C7 H16 I3 N2 Rb -","- C9.36 I3 Rb -","- C9.36 I3 Rb -","1","0.0416667","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.1362","0.1057","","","0.2868","0.3184","","","","","","1.246","","","","has coordinates","241700","2020-10-21","18:00:00",""
"4131510","7.272","0.003","7.272","0.003","7.272","0.003","84.81","0.003","84.81","0.003","84.81","0.003","380.1","0.3","273","2","273","2","","","","","","","","5","R 3 :R","P 3*","146","","","","- C0.3 H0.7 I0.13 N0.09 Rb0.04 -","- C0.304348 H0.695652 I0.130435 N0.0869565 Rb0.0434783 -","- C7 H16 I3 N2 Rb -","23","7.66667","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.026","0.0249","","","0.0538","0.054","","","","","","0.942","","","","has coordinates","241701","2020-10-21","18:00:00",""
"4131511","13.7541","0.001","16.5763","0.0012","16.6586","0.0012","90","","104.083","0.003","90","","3683.9","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","rt002","","","- C43 H40 Au Cl N4 -","- C43 H40 Au Cl N4 -","- C172 H160 Au4 Cl4 N16 -","4","2","","Bohan, Patrick T.; Toste, F. Dean","Well-Defined Chiral Gold(III) Complex Catalyzed Direct Enantioconvergent Kinetic Resolution of 1,5-Enynes.","Journal of the American Chemical Society","2017","139","32","11016","11019","10.1021/jacs.7b06025","","","0.71073","MoKα","","0.0125","0.012","","","0.0269","0.027","","","","","","1.022","","","","has coordinates","241702","2020-10-21","18:00:00",""
"4131512","8.4267","0.0012","46.351","0.005","8.4298","0.001","90","","90","","90","","3292.6","0.7","293","","293","","","","","","","","","5","C 2 e b","C -2ac 2","41","Ethylammonium Lead Bromide","","","- C8 H32 Br10 N4 Pb3 -","- C8 H32 Br10 N4 Pb3 -","- C32 H128 Br40 N16 Pb12 -","4","0.5","","Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Traore, Boubacar; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Kanatzidis, Mercouri G.","Tunable White-Light Emission in Single-Cation-Templated Three-Layered 2D Perovskites (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>4</sub>Pb<sub>3</sub>Br<sub>10-x</sub>Cl<sub>x</sub>.","Journal of the American Chemical Society","2017","139","34","11956","11963","10.1021/jacs.7b06143","","x-ray","0.71073","MoKα","","0.1496","0.0964","","","0.1753","0.1854","","","","3.85","3.85","3.14","","","","has coordinates","241703","2020-10-21","18:00:00",""
"4131513","8.024","0.008","45.498","0.007","8.08","0.03","90","","90","","90","","2950","11","293","","293","","","","","","","","","5","A 21 m a","A -2a 2a","36","Ethylammonium Lead Chloride","","","- C8 H32 Cl10 N4 Pb3 -","- C8 H32 Cl10 N4 Pb3 -","- C32 H128 Cl40 N16 Pb12 -","4","0.5","","Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Traore, Boubacar; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Kanatzidis, Mercouri G.","Tunable White-Light Emission in Single-Cation-Templated Three-Layered 2D Perovskites (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>4</sub>Pb<sub>3</sub>Br<sub>10-x</sub>Cl<sub>x</sub>.","Journal of the American Chemical Society","2017","139","34","11956","11963","10.1021/jacs.7b06143","","x-ray","0.71073","MoKα","","0.1124","0.0762","","","0.1384","0.1441","","","","2.99","2.99","2.5","","","","has coordinates","241703","2020-10-21","18:00:00",""
"4131514","9.8811","0.001","14.3028","0.0015","15.0389","0.0016","90","","90","","90","","2125.4","0.4","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","H-D-Pro-Pip-Glu-NH2","","- C18 H27 F3 N4 O7 -","- C18 H27 F3 N4 O7 -","- C72 H108 F12 N16 O28 -","4","1","","Schnitzer, Tobias; Wennemers, Helma","Influence of the Trans/Cis Conformer Ratio on the Stereoselectivity of Peptidic Catalysts.","Journal of the American Chemical Society","2017","139","43","15356","15362","10.1021/jacs.7b06194","","x-ray","0.71073","MoKα","","0.0427","0.0339","","","0.0726","0.0783","","","","","","1.039","","","","has coordinates","241704","2020-10-21","18:00:00",""
"4131515","9.7372","0.0011","14.0027","0.0018","14.923","0.0018","90","","90","","90","","2034.7","0.4","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 F3 N4 O7 -","- C17 H25 F3 N4 O7 -","- C68 H100 F12 N16 O28 -","4","1","","Schnitzer, Tobias; Wennemers, Helma","Influence of the Trans/Cis Conformer Ratio on the Stereoselectivity of Peptidic Catalysts.","Journal of the American Chemical Society","2017","139","43","15356","15362","10.1021/jacs.7b06194","","x-ray","0.71073","MoKα","","0.0351","0.0293","","","0.0667","0.0704","","","","","","1.077","","","","has coordinates,has disorder","241705","2020-10-21","18:00:00",""
"4131516","5.64157","0.00013","17.0712","0.0003","17.5424","0.0005","90","","90.6571","0.0015","90","","1689.37","0.07","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 B Cl O2 -","- C19 H16 B Cl O2 -","- C76 H64 B4 Cl4 O8 -","4","1","","Nogami, Marina; Hirano, Keiichi; Kanai, Misae; Wang, Chao; Saito, Tatsuo; Miyamoto, Kazunori; Muranaka, Atsuya; Uchiyama, Masanobu","Transition Metal-Free trans-Selective Alkynylboration of Alkynes.","Journal of the American Chemical Society","2017","139","36","12358","12361","10.1021/jacs.7b06212","","","1.54187","CuKα","","","0.0747","","","","0.1519","","","","","","0.89","","","","has coordinates","241706","2020-10-21","18:00:00",""
"4131517","14.764","0.003","23.997","0.005","4.0296","0.0008","90","","90","","90","","1427.7","0.5","173.15","","173.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","","Gong, Yanjun; Zhang, Yifan; Xiong, Wei; Zhang, Ke; Che, Yanke; Zhao, Jincai","Molecular Interactions Control Quantum Chain Reactions toward Distinct Photoresponsive Properties of Molecular Crystals.","Journal of the American Chemical Society","2017","139","31","10649","10652","10.1021/jacs.7b06261","","","0.71073","MoKα","","0.0525","0.0471","","","0.1049","0.1079","","","","","","1.126","","","","has coordinates","241707","2020-10-21","18:00:00",""
"4131518","4.252","0.002","10.804","0.005","14.788","0.007","90","","91.184","0.008","90","","679.2","0.6","173.15","","173.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C30 H28 O10 -","2","1","","Gong, Yanjun; Zhang, Yifan; Xiong, Wei; Zhang, Ke; Che, Yanke; Zhao, Jincai","Molecular Interactions Control Quantum Chain Reactions toward Distinct Photoresponsive Properties of Molecular Crystals.","Journal of the American Chemical Society","2017","139","31","10649","10652","10.1021/jacs.7b06261","","","0.71073","MoKα","","0.0718","0.0646","","","0.1418","0.1485","","","","","","1.083","","","","has coordinates","241708","2020-10-21","18:00:00",""
"4131519","13.777","0.003","6.4606","0.0013","13.925","0.003","90","","90","","90","","1239.4","0.5","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","0.5","","Gong, Yanjun; Zhang, Yifan; Xiong, Wei; Zhang, Ke; Che, Yanke; Zhao, Jincai","Molecular Interactions Control Quantum Chain Reactions toward Distinct Photoresponsive Properties of Molecular Crystals.","Journal of the American Chemical Society","2017","139","31","10649","10652","10.1021/jacs.7b06261","","","0.71073","MoKα","","0.1049","0.0965","","","0.2176","0.2367","","","","","","1.053","","","","has coordinates,has disorder","241709","2020-10-21","18:00:00",""
"4131520","8.5418","0.0003","11.8408","0.0005","14.1682","0.0006","104.764","0.003","105.21","0.002","107.082","0.002","1233.26","0.09","100","","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H22 O3 -","- C13 H22 O3 -","- C52 H88 O12 -","4","2","","Kier, Matthew J.; Leon, Robert M.; O'Rourke, Natasha F; Rheingold, Arnold L.; Micalizio, Glenn C.","Synthesis of Highly Oxygenated Carbocycles by Stereoselective Coupling of Alkynes to 1,3- and 1,4-Dicarbonyl Systems.","Journal of the American Chemical Society","2017","139","36","12374","12377","10.1021/jacs.7b06286","","","1.54178","CuKα","","0.05","0.0431","","","0.1199","0.1267","","","","","","1.064","","","","has coordinates","241710","2020-10-21","18:00:00",""
"4131521","43.069","0.003","43.069","0.003","27.998","0.003","90","","90","","120","","44977","7","100","","100","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C48 H80 K1.23 Li0.77 O40 -","- C48 H80 K1.233 Li0.767 O40 -","- C864 H1440 K22.194 Li13.806 O720 -","18","1","","Patel, Hasmukh A.; Islamoglu, Timur; Liu, Zhichang; Nalluri, Siva Krishna Mohan; Samanta, Avik; Anamimoghadam, Ommid; Malliakas, Christos D.; Farha, Omar K.; Stoddart, J. Fraser","Noninvasive Substitution of K<sup>+</sup> Sites in Cyclodextrin Metal-Organic Frameworks by Li<sup>+</sup> Ions.","Journal of the American Chemical Society","2017","139","32","11020","11023","10.1021/jacs.7b06287","","","1.54178","CuKα","","0.1147","0.0998","","","0.2625","0.2791","","","","","","0.974","","","","has coordinates","241711","2020-10-21","18:00:00",""
"4131522","8.194","0.0016","6.073","0.0012","15.178","0.003","90","","104.96","0.03","90","","729.7","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","GD-19","GD-19","","- C19 H15 N3 -","- C19 H15 N3 -","- C38 H30 N6 -","2","1","","Kim, Woo Gyum; Kang, Mi Eun; Lee, Jae Bin; Jeon, Min Ho; Lee, Sungmin; Lee, Jungha; Choi, Bongseo; Cal, Pedro M. S. D.; Kang, Sebyung; Kee, Jung-Min; Bernardes, Gonçalo J L; Rohde, Jan-Uwe; Choe, Wonyoung; Hong, Sung You","Nickel-Catalyzed Azide-Alkyne Cycloaddition To Access 1,5-Disubstituted 1,2,3-Triazoles in Air and Water.","Journal of the American Chemical Society","2017","139","35","12121","12124","10.1021/jacs.7b06338","","","0.66","Synchrotron","","0.0818","0.0566","","","0.1853","0.2176","","","","","","1.203","","","","has coordinates","241712","2020-10-21","18:00:00",""
"4131523","6.8","0.0014","11.502","0.002","8.463","0.0017","90","","99.74","0.03","90","","652.4","0.2","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","GD-5","GD-5","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C30 H24 N8 O4 -","2","1","","Kim, Woo Gyum; Kang, Mi Eun; Lee, Jae Bin; Jeon, Min Ho; Lee, Sungmin; Lee, Jungha; Choi, Bongseo; Cal, Pedro M. S. D.; Kang, Sebyung; Kee, Jung-Min; Bernardes, Gonçalo J L; Rohde, Jan-Uwe; Choe, Wonyoung; Hong, Sung You","Nickel-Catalyzed Azide-Alkyne Cycloaddition To Access 1,5-Disubstituted 1,2,3-Triazoles in Air and Water.","Journal of the American Chemical Society","2017","139","35","12121","12124","10.1021/jacs.7b06338","","","0.71073","MoKα","","0.0733","0.0628","","","0.1664","0.1726","","","","","","1.153","","","","has coordinates","241713","2020-10-21","18:00:00",""
"4131524","9.1265","0.0003","9.1821","0.0003","11.6541","0.0004","87.916","0.001","76.284","0.001","62.798","0.001","840.9","0.05","109","2","108.85","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C44 H40 O4 -","2","1","","Shrestha, Bijay; Basnet, Prakash; Dhungana, Roshan K.; Kc, Shekhar; Thapa, Surendra; Sears, Jeremiah M.; Giri, Ramesh","Ni-Catalyzed Regioselective 1,2-Dicarbofunctionalization of Olefins by Intercepting Heck Intermediates as Imine-Stabilized Transient Metallacycles.","Journal of the American Chemical Society","2017","139","31","10653","10656","10.1021/jacs.7b06340","","","1.54178","CuKα","","0.0638","0.062","","","0.1737","0.1752","","","","","","1.093","","","","has coordinates","241714","2020-10-21","18:00:00",""
"4131525","17.2666","0.0007","9.0525","0.0004","19.2398","0.0008","90","","103.905","0.002","90","","2919.2","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 F6 Li N O10 S2 -","- C20 H36 F6 Li N O10 S2 -","- C80 H144 F24 Li4 N4 O40 S8 -","4","1","","Sharon, Daniel; Sharon, Pessia; Hirshberg, Daniel; Salama, Michael; Afri, Michal; Shimon, Linda J. W.; Kwak, Won-Jin; Sun, Yang-Kook; Frimer, Aryeh A.; Aurbach, Doron","2,4-Dimethoxy-2,4-dimethylpentan-3-one: An Aprotic Solvent Designed for Stability in Li-O<sub>2</sub> Cells.","Journal of the American Chemical Society","2017","139","34","11690","11693","10.1021/jacs.7b06414","","","0.71073","MoKα","","0.0485","0.0343","","","0.084","0.0908","","","","","","1.038","","","","has coordinates","241715","2020-10-21","18:00:00",""
"4131526","6.9504","0.0001","16.7652","0.0003","43.917","0.003","90","","90","","90","","5117.4","0.4","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O7 -","- C25 H35 N O7 -","- C200 H280 N8 O56 -","8","2","","Koch, Aaron A.; Hansen, Douglas A.; Shende, Vikram V.; Furan, Lawrence R.; Houk, K. N.; Jiménez-Osés, Gonzalo; Sherman, David H.","A Single Active Site Mutation in the Pikromycin Thioesterase Generates a More Effective Macrocyclization Catalyst.","Journal of the American Chemical Society","2017","139","38","13456","13465","10.1021/jacs.7b06436","","","1.54178","CuKα","","0.0591","0.0518","","","0.1275","0.1328","","","","","","1.092","","","","has coordinates","241716","2020-10-21","18:00:00",""
"4131527","27.1819","0.0009","27.1819","0.0009","22.9588","0.0009","90","","90","","120","","14690.6","0.9","173","2","173.15","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C23 H18 Mn O7 P0.5 -","- C23 H18 Mn O7 P0.5 -","- C276 H216 Mn12 O84 P6 -","12","1","","Chen, Xu; Jiang, Hong; Hou, Bang; Gong, Wei; Liu, Yan; Cui, Yong","Boosting Chemical Stability, Catalytic Activity, and Enantioselectivity of Metal-Organic Frameworks for Batch and Flow Reactions.","Journal of the American Chemical Society","2017","139","38","13476","13482","10.1021/jacs.7b06459","","","1.54178","CuKα","","0.0654","0.042","","","0.1112","0.1212","","","","","","1.056","","","","has coordinates","241717","2020-10-21","18:00:00",""
"4131528","27.0514","0.0003","27.0514","0.0003","23.2766","0.0005","90","","90","","120","","14751.3","0.4","293","2","293","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C23 H12 F6 Mn O7 P0.5 -","- C23 H12 F6 Mn O7 P0.5 -","- C276 H144 F72 Mn12 O84 P6 -","12","1","","Chen, Xu; Jiang, Hong; Hou, Bang; Gong, Wei; Liu, Yan; Cui, Yong","Boosting Chemical Stability, Catalytic Activity, and Enantioselectivity of Metal-Organic Frameworks for Batch and Flow Reactions.","Journal of the American Chemical Society","2017","139","38","13476","13482","10.1021/jacs.7b06459","","","1.54178","CuKα","","0.0462","0.0379","","","0.104","0.11","","","","","","1.035","","","","has coordinates,has disorder","241718","2020-10-21","18:00:00",""
"4131529","21.3828","0.0012","4.883","0.0003","22.4473","0.0013","90","","115.924","0.002","90","","2107.9","0.2","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N3 O3 -","- C25 H23 N3 O3 -","- C100 H92 N12 O12 -","4","1","","Liu, Zhen; Wang, Yanyan; Wang, Zichen; Zeng, Tian; Liu, Peng; Engle, Keary M.","Catalytic Intermolecular Carboamination of Unactivated Alkenes via Directed Aminopalladation.","Journal of the American Chemical Society","2017","139","32","11261","11270","10.1021/jacs.7b06520","","","1.54178","CuKα","","0.0371","0.034","","","0.0837","0.086","","","","","","1.058","","","","has coordinates","241719","2020-10-21","18:00:00",""
"4131530","10.398","0.0004","18.5954","0.0007","15.0498","0.0006","90","","98.417","0.002","90","","2878.61","0.19","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H29 N3 O3 -","- C36 H29 N3 O3 -","- C144 H116 N12 O12 -","4","1","","Liu, Zhen; Wang, Yanyan; Wang, Zichen; Zeng, Tian; Liu, Peng; Engle, Keary M.","Catalytic Intermolecular Carboamination of Unactivated Alkenes via Directed Aminopalladation.","Journal of the American Chemical Society","2017","139","32","11261","11270","10.1021/jacs.7b06520","","x-ray","1.54178","CuKα","","0.0387","0.0321","","","0.0772","0.0811","","","","","","1.017","","","","has coordinates","241720","2020-10-21","18:00:00",""
"4131531","8.8253","0.0004","16.6932","0.0007","15.39","0.0007","90","","100.825","0.002","90","","2226.95","0.17","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O -","- C28 H28 N2 O -","- C112 H112 N8 O4 -","4","1","","Derosa, Joseph; Tran, Van T.; Boulous, Mark N.; Chen, Jason S.; Engle, Keary M.","Nickel-Catalyzed β,γ-Dicarbofunctionalization of Alkenyl Carbonyl Compounds via Conjunctive Cross-Coupling.","Journal of the American Chemical Society","2017","139","31","10657","10660","10.1021/jacs.7b06567","","x-ray","1.54178","CuKα","K-L~3~","0.0436","0.0407","","","0.1034","0.1061","","","","","","1.058","","","","has coordinates","241721","2020-10-21","18:00:00",""
"4131532","10.9274","0.0015","11.6646","0.0015","15.873","0.002","90","","92.749","0.007","90","","2020.9","0.5","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N2 O -","- C24 H28 N2 O -","- C96 H112 N8 O4 -","4","1","","Derosa, Joseph; Tran, Van T.; Boulous, Mark N.; Chen, Jason S.; Engle, Keary M.","Nickel-Catalyzed β,γ-Dicarbofunctionalization of Alkenyl Carbonyl Compounds via Conjunctive Cross-Coupling.","Journal of the American Chemical Society","2017","139","31","10657","10660","10.1021/jacs.7b06567","","x-ray","1.54178","CuKα","K-L~3~","0.0645","0.048","","","0.1136","0.1231","","","","","","1.052","","","","has coordinates","241722","2020-10-21","18:00:00",""
"4131533","17.9435","0.0005","11.618","0.002","20.3","0.002","90","","96.496","0.006","90","","4204.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H68 Cl2 N2 Si2 -","- C42 H68 Cl2 N2 Si2 -","- C168 H272 Cl8 N8 Si8 -","4","0.5","","Kundu, Subrata; Samuel, Prinson P.; Sinhababu, Soumen; Luebben, Anna V.; Dittrich, Birger; Andrada, Diego M.; Frenking, Gernot; Stückl, A Claudia; Schwederski, Brigitte; Paretzki, Alexa; Kaim, Wolfgang; Roesky, Herbert W.","Organosilicon Radicals with Si-H and Si-Me Bonds from Commodity Precursors.","Journal of the American Chemical Society","2017","139","32","11028","11031","10.1021/jacs.7b06610","","","0.6358","synchrotron","","0.0417","0.0413","","","0.1245","0.1249","","","","","","1.068","","","","has coordinates","241723","2020-10-21","18:00:00",""
"4131534","17.9254","0.0008","11.6078","0.0005","20.4598","0.0009","90","","97.164","0.003","90","","4223.9","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H74 N2 Si2 -","- C44 H74 N2 Si2 -","- C176 H296 N8 Si8 -","4","0.5","","Kundu, Subrata; Samuel, Prinson P.; Sinhababu, Soumen; Luebben, Anna V.; Dittrich, Birger; Andrada, Diego M.; Frenking, Gernot; Stückl, A Claudia; Schwederski, Brigitte; Paretzki, Alexa; Kaim, Wolfgang; Roesky, Herbert W.","Organosilicon Radicals with Si-H and Si-Me Bonds from Commodity Precursors.","Journal of the American Chemical Society","2017","139","32","11028","11031","10.1021/jacs.7b06610","","","0.71073","MoKα","","0.0407","0.0347","","","0.087","0.0925","","","","","","1.048","","","","has coordinates,has disorder","241724","2020-10-21","18:00:00",""
"4131535","34.125","0.004","9.556","0.003","23.278","0.006","90","","100.27","0.03","90","","7469","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C80 H128 N4 Si2 -","- C80 H128 N4 Si2 -","- C320 H512 N16 Si8 -","4","0.5","","Kundu, Subrata; Samuel, Prinson P.; Sinhababu, Soumen; Luebben, Anna V.; Dittrich, Birger; Andrada, Diego M.; Frenking, Gernot; Stückl, A Claudia; Schwederski, Brigitte; Paretzki, Alexa; Kaim, Wolfgang; Roesky, Herbert W.","Organosilicon Radicals with Si-H and Si-Me Bonds from Commodity Precursors.","Journal of the American Chemical Society","2017","139","32","11028","11031","10.1021/jacs.7b06610","","","0.6358","synchrotron","","0.0389","0.0381","","","0.1061","0.107","","","","","","1.024","","","","has coordinates","241725","2020-10-21","18:00:00",""
"4131536","8.187","0.0013","5.4348","0.0008","11.5306","0.0018","90","","98.017","0.003","90","","508.04","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9 F3 O S -","- C10 H9 F3 O S -","- C20 H18 F6 O2 S2 -","2","1","","Zhang, Hu; Buchwald, Stephen L.","Palladium-Catalyzed Negishi Coupling of α-CF<sub>3</sub> Oxiranyl Zincate: Access to Chiral CF<sub>3</sub>-Substituted Benzylic Tertiary Alcohols.","Journal of the American Chemical Society","2017","139","33","11590","11594","10.1021/jacs.7b06630","","","0.71073","MoKα","","0.0293","0.0279","","","0.0686","0.0695","","","","","","1.038","","","","has coordinates","241726","2020-10-21","18:00:00",""
"4131537","10.439","0.002","16.789","0.004","19.1","0.005","90","","90","","90","","3347.5","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 B2 Br2 P2 Zn -","- C34 H36 B2 Br2 P2 Zn -","- C136 H144 B8 Br8 P8 Zn4 -","4","1","","Wang, Sunewang R.; Arrowsmith, Merle; Braunschweig, Holger; Dewhurst, Rian D.; Dömling, Michael; Mattock, James D.; Pranckevicius, Conor; Vargas, Alfredo","Monomeric 16-Electron π-Diborene Complexes of Zn(II) and Cd(II).","Journal of the American Chemical Society","2017","139","31","10661","10664","10.1021/jacs.7b06644","","","0.71073","MoKα","","0.0433","0.0317","","","0.0676","0.0717","","","","","","1.052","","","","has coordinates","241727","2020-10-21","18:00:00",""
"4131538","9.5859","0.0009","12.2845","0.001","24.092","0.003","90","","90","","90","","2837","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 B2 Cl4 N4 S2 Zn -","- C19 H24 B2 Cl4 N4 S2 Zn -","- C76 H96 B8 Cl16 N16 S8 Zn4 -","4","1","","Wang, Sunewang R.; Arrowsmith, Merle; Braunschweig, Holger; Dewhurst, Rian D.; Dömling, Michael; Mattock, James D.; Pranckevicius, Conor; Vargas, Alfredo","Monomeric 16-Electron π-Diborene Complexes of Zn(II) and Cd(II).","Journal of the American Chemical Society","2017","139","31","10661","10664","10.1021/jacs.7b06644","","","0.71073","MoKα","","0.0593","0.0447","","","0.1049","0.1112","","","","","","1.064","","","","has coordinates,has disorder","241728","2020-10-21","18:00:00",""
"4131539","16.553","0.002","10.077","0.0012","25.796","0.004","90","","103.702","0.003","90","","4180.4","1","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 B2 Cl2 P2 Zn -","- C46 H48 B2 Cl2 P2 Zn -","- C184 H192 B8 Cl8 P8 Zn4 -","4","0.5","","Wang, Sunewang R.; Arrowsmith, Merle; Braunschweig, Holger; Dewhurst, Rian D.; Dömling, Michael; Mattock, James D.; Pranckevicius, Conor; Vargas, Alfredo","Monomeric 16-Electron π-Diborene Complexes of Zn(II) and Cd(II).","Journal of the American Chemical Society","2017","139","31","10661","10664","10.1021/jacs.7b06644","","","0.71073","MoKα","","0.0778","0.0444","","","0.0828","0.0933","","","","","","1.016","","","","has coordinates","241729","2020-10-21","18:00:00",""
"4131540","31.349","0.004","10.2766","0.0016","33.152","0.005","90","","98.316","0.011","90","","10568","3","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35 H38 B2 Cd Cl4 P2 -","- C35 H38 B2 Cd Cl4 P2 -","- C420 H456 B24 Cd12 Cl48 P24 -","12","1.5","","Wang, Sunewang R.; Arrowsmith, Merle; Braunschweig, Holger; Dewhurst, Rian D.; Dömling, Michael; Mattock, James D.; Pranckevicius, Conor; Vargas, Alfredo","Monomeric 16-Electron π-Diborene Complexes of Zn(II) and Cd(II).","Journal of the American Chemical Society","2017","139","31","10661","10664","10.1021/jacs.7b06644","","","0.71073","MoKα","","0.0945","0.0608","","","0.1139","0.133","","","","","","1.151","","","","has coordinates,has disorder","241730","2020-10-21","18:00:00",""
"4131541","14.7841","0.0003","14.3018","0.0002","15.1278","0.0003","90","","117.45","0.0008","90","","2838.5","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Au Cl2 F N -","- C13 Au Cl2 F N -","- C52 Au4 Cl8 F4 N4 -","4","1","","Harper, Matthew J.; Emmett, Edward J.; Bower, John F.; Russell, Christopher A.","Oxidative 1,2-Difunctionalization of Ethylene via Gold-Catalyzed Oxyarylation.","Journal of the American Chemical Society","2017","139","36","12386","12389","10.1021/jacs.7b06668","","","0.71073","MoKα","","0.0353","0.0237","","","0.0509","0.0546","","","","","","1.028","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4131542","8.6","0.0002","14.9179","0.0004","15.1241","0.0004","88.579","0.0014","89.7538","0.0015","86.1002","0.0013","1935.24","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Au F P -","- C24 Au F P -","- C48 Au2 F2 P2 -","2","1","","Harper, Matthew J.; Emmett, Edward J.; Bower, John F.; Russell, Christopher A.","Oxidative 1,2-Difunctionalization of Ethylene via Gold-Catalyzed Oxyarylation.","Journal of the American Chemical Society","2017","139","36","12386","12389","10.1021/jacs.7b06668","","","0.71073","MoKα","","0.024","0.0192","","","0.0384","0.0396","","","","","","1.029","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4131543","12.5156","0.0002","13.9784","0.0002","20.1391","0.0003","76.0078","0.001","83.8575","0.0011","64.8883","0.0009","3095.58","0.09","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C84 H66.92 Fe N2 -","- C84 H66.9226 Fe N2 -","- C168 H133.845 Fe2 N4 -","2","1","","Wilding, Matthew J. T.; Iovan, Diana A.; Betley, Theodore A.","High-Spin Iron Imido Complexes Competent for C-H Bond Amination.","Journal of the American Chemical Society","2017","139","34","12043","12049","10.1021/jacs.7b06682","","","1.54178","CuKα","","0.0655","0.0485","","","0.1196","0.1309","","","","","","1.028","","","","has coordinates,has disorder","241733","2020-10-21","18:00:00",""
"4131544","18.529","0.008","18.634","0.008","47.04","0.02","90","","98.769","0.007","90","","16052","12","100","1","100.01","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C86 H79 Fe N6 -","- C86 H79 Fe N6 -","- C688 H632 Fe8 N48 -","8","1","","Wilding, Matthew J. T.; Iovan, Diana A.; Betley, Theodore A.","High-Spin Iron Imido Complexes Competent for C-H Bond Amination.","Journal of the American Chemical Society","2017","139","34","12043","12049","10.1021/jacs.7b06682","","","0.71073","MoKα","","0.1586","0.1075","","","0.3064","0.3463","","","","","","1.105","","","","has coordinates,has disorder","241733","2020-10-21","18:00:00",""
"4131545","13.5","0.018","16.28","0.02","16.45","0.02","84.768","0.016","68.757","0.015","67.129","0.015","3100","7","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C82.81 H70.64 Fe N3 -","- C82.932 H71.796 Fe N3 -","- C165.864 H143.592 Fe2 N6 -","2","1","","Wilding, Matthew J. T.; Iovan, Diana A.; Betley, Theodore A.","High-Spin Iron Imido Complexes Competent for C-H Bond Amination.","Journal of the American Chemical Society","2017","139","34","12043","12049","10.1021/jacs.7b06682","","","0.71073","MoKα","","0.3553","0.1263","","","0.298","0.4359","","","","","","0.924","","","","has coordinates,has disorder","241733","2020-10-21","18:00:00",""
"4131546","13.4127","0.0009","15.9534","0.001","16.6919","0.0011","87.843","0.001","72.164","0.001","82.17","0.001","3368.3","0.4","100","1","100.03","","","","","","","","","4","P -1","-P 1","2","","","","- C85 H80 Fe N3 -","- C85 H80 Fe N3 -","- C170 H160 Fe2 N6 -","2","1","","Wilding, Matthew J. T.; Iovan, Diana A.; Betley, Theodore A.","High-Spin Iron Imido Complexes Competent for C-H Bond Amination.","Journal of the American Chemical Society","2017","139","34","12043","12049","10.1021/jacs.7b06682","","","0.71073","MoKα","","0.0779","0.0598","","","0.1505","0.165","","","","","","1.031","","","","has coordinates","241733","2020-10-21","18:00:00",""
"4131547","13.519","0.003","16.325","0.003","16.53","0.003","85.219","0.004","68.727","0.004","66.885","0.004","3119.2","1.1","100","2","99.97","","","","","","","","","4","P -1","-P 1","2","","","","- C83 H73 Fe N3 -","- C83 H73 Fe N3 -","- C166 H146 Fe2 N6 -","2","1","","Wilding, Matthew J. T.; Iovan, Diana A.; Betley, Theodore A.","High-Spin Iron Imido Complexes Competent for C-H Bond Amination.","Journal of the American Chemical Society","2017","139","34","12043","12049","10.1021/jacs.7b06682","","","0.71073","MoKα","","0.2304","0.0961","","","0.1945","0.2381","","","","","","0.945","","","","has coordinates","241733","2020-10-21","18:00:00",""
"4131548","18.6367","0.00014","5.74782","0.00003","17.8054","0.00012","90","","116.878","0.0009","90","","1701.28","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","2","","Hao, Wei; Wu, Xiangyu; Sun, James Z.; Siu, Juno C.; MacMillan, Samantha N.; Lin, Song","Radical Redox-Relay Catalysis: Formal [3+2] Cycloaddition of N-Acylaziridines and Alkenes.","Journal of the American Chemical Society","2017","139","35","12141","12144","10.1021/jacs.7b06723","","x-ray","1.54184","CuKα","","0.0197","0.0197","","","0.0529","0.0529","","","","","","1.045","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4131549","8.0466","0.0001","9.5436","0.0001","13.31","0.0002","97.748","0.001","93.059","0.001","96.81","0.001","1003.14","0.02","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Br Cl2 N O3 -","- C20 H18 Br Cl2 N O3 -","- C40 H36 Br2 Cl4 N2 O6 -","2","1","","Hao, Wei; Wu, Xiangyu; Sun, James Z.; Siu, Juno C.; MacMillan, Samantha N.; Lin, Song","Radical Redox-Relay Catalysis: Formal [3+2] Cycloaddition of N-Acylaziridines and Alkenes.","Journal of the American Chemical Society","2017","139","35","12141","12144","10.1021/jacs.7b06723","","x-ray","0.71073","MoKα","","0.0255","0.0227","","","0.0522","0.0531","","","","","","1.031","","","","has coordinates","241735","2020-10-21","18:00:00",""
"4131550","12.2359","0.0006","14.2531","0.0008","9.9358","0.0006","90","","98.94","0.002","90","","1711.75","0.16","223.15","","223.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cl N O -","- C19 H20 Cl N O -","- C76 H80 Cl4 N4 O4 -","4","1","","Hao, Wei; Wu, Xiangyu; Sun, James Z.; Siu, Juno C.; MacMillan, Samantha N.; Lin, Song","Radical Redox-Relay Catalysis: Formal [3+2] Cycloaddition of N-Acylaziridines and Alkenes.","Journal of the American Chemical Society","2017","139","35","12141","12144","10.1021/jacs.7b06723","","","0.71073","MoKα","","0.0625","0.0413","","","0.0942","0.1052","","","","","","1.035","","","","has coordinates","241736","2020-10-21","18:00:00",""
"4131551","12.2145","0.0007","19.8453","0.0011","23.3976","0.0013","90","","90","","90","","5671.6","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C66 H80 B2 N4 -","- C66 H80 B2 N4 -","- C264 H320 B8 N16 -","4","1","","Taylor, Jordan W.; McSkimming, Alex; Guzman, Camilo F.; Harman, W. Hill","N-Heterocyclic Carbene-Stabilized Boranthrene as a Metal-Free Platform for the Activation of Small Molecules.","Journal of the American Chemical Society","2017","139","32","11032","11035","10.1021/jacs.7b06772","","","0.71073","MoKα","","0.0424","0.0369","","","0.0956","0.0999","","","","","","1.047","","","","has coordinates","241737","2020-10-21","18:00:00",""
"4131552","13.9529","0.0012","36.527","0.003","16.6593","0.0014","90","","113.446","0.0012","90","","7789.5","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H120 B2 Br N4 O5 -","- C86 H120 B2 Br N4 O5 -","- C344 H480 B8 Br4 N16 O20 -","4","1","","Taylor, Jordan W.; McSkimming, Alex; Guzman, Camilo F.; Harman, W. Hill","N-Heterocyclic Carbene-Stabilized Boranthrene as a Metal-Free Platform for the Activation of Small Molecules.","Journal of the American Chemical Society","2017","139","32","11032","11035","10.1021/jacs.7b06772","","","0.71073","MoKα","","0.0829","0.0481","","","0.0931","0.1034","","","","","","1.038","","","","has coordinates,has disorder","241737","2020-10-21","18:00:00",""
"4131553","14.0685","0.001","15.0125","0.001","17.817","0.0012","90.7365","0.0011","106.786","0.0011","95.7848","0.0011","3580.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H107.5 B2 Br2 N4 O2.75 -","- C77 H107.5 B2 Br2 N4 O2.75 -","- C154 H215 B4 Br4 N8 O5.5 -","2","1","","Taylor, Jordan W.; McSkimming, Alex; Guzman, Camilo F.; Harman, W. Hill","N-Heterocyclic Carbene-Stabilized Boranthrene as a Metal-Free Platform for the Activation of Small Molecules.","Journal of the American Chemical Society","2017","139","32","11032","11035","10.1021/jacs.7b06772","","","0.71073","MoKα","","0.0606","0.0436","","","0.0955","0.1024","","","","","","1.016","","","","has coordinates,has disorder","241737","2020-10-21","18:00:00",""
"4131554","10.9914","0.0004","12.4217","0.0004","16.6359","0.0006","90.8263","0.0005","105.451","0.0005","100.831","0.0005","2145.25","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H110 B2 Br2 N14 -","- C86 H110 B2 Br2 N14 -","- C86 H110 B2 Br2 N14 -","1","0.5","","Taylor, Jordan W.; McSkimming, Alex; Guzman, Camilo F.; Harman, W. Hill","N-Heterocyclic Carbene-Stabilized Boranthrene as a Metal-Free Platform for the Activation of Small Molecules.","Journal of the American Chemical Society","2017","139","32","11032","11035","10.1021/jacs.7b06772","","","0.71073","MoKα","","0.0377","0.0319","","","0.079","0.0817","","","","","","1.032","","","","has coordinates","241737","2020-10-21","18:00:00",""
"4131555","13.8441","0.0005","40.4583","0.0014","12.34","0.0004","90","","114.314","0.0005","90","","6298.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H92 B2 N4 O -","- C72 H92 B2 N4 O -","- C288 H368 B8 N16 O4 -","4","1","","Taylor, Jordan W.; McSkimming, Alex; Guzman, Camilo F.; Harman, W. Hill","N-Heterocyclic Carbene-Stabilized Boranthrene as a Metal-Free Platform for the Activation of Small Molecules.","Journal of the American Chemical Society","2017","139","32","11032","11035","10.1021/jacs.7b06772","","","0.71073","MoKα","","0.0617","0.0511","","","0.1276","0.1348","","","","","","1.069","","","","has coordinates","241737","2020-10-21","18:00:00",""
"4131556","37.9259","0.0011","12.4199","0.0003","25.226","0.0007","90","","93.9393","0.0005","90","","11854.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69.12 H84.49 B2 N4 O2.38 -","- C69.1225 H84.49 B2 N4 O2.3775 -","- C552.98 H675.92 B16 N32 O19.02 -","8","2","","Taylor, Jordan W.; McSkimming, Alex; Guzman, Camilo F.; Harman, W. Hill","N-Heterocyclic Carbene-Stabilized Boranthrene as a Metal-Free Platform for the Activation of Small Molecules.","Journal of the American Chemical Society","2017","139","32","11032","11035","10.1021/jacs.7b06772","","","0.71073","MoKα","","0.0704","0.051","","","0.1194","0.1297","","","","","","1.024","","","","has coordinates,has disorder","241737","2020-10-21","18:00:00",""
"4131557","12.2955","0.0009","13.3751","0.001","20.8112","0.0015","99.6469","0.0013","93.4959","0.0013","117.309","0.0012","2960.7","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H80 B2 N4 O2 -","- C66 H80 B2 N4 O2 -","- C132 H160 B4 N8 O4 -","2","1","","Taylor, Jordan W.; McSkimming, Alex; Guzman, Camilo F.; Harman, W. Hill","N-Heterocyclic Carbene-Stabilized Boranthrene as a Metal-Free Platform for the Activation of Small Molecules.","Journal of the American Chemical Society","2017","139","32","11032","11035","10.1021/jacs.7b06772","","","0.71073","MoKα","","0.0703","0.0467","","","0.1099","0.1223","","","","","","1.028","","","","has coordinates","241737","2020-10-21","18:00:00",""
"4131558","14.4259","0.0017","15.0142","0.0019","16.918","0.002","94.524","0.003","101.87","0.003","113.421","0.003","3237.4","0.7","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H22 Al2 Cl4 Cr2 F48 O11 -","- C41 H22 Al2 Cl4 Cr2 F48 O11 -","- C82 H44 Al4 Cl8 Cr4 F96 O22 -","2","1","","Wang, Wenqing; Li, Jing; Yin, Lei; Zhao, Yue; Ouyang, Zhongwen; Wang, Xinping; Wang, Zhenxing; Song, You; Power, Philip P.","Half-Sandwich Metal Carbonyl Complexes as Precursors to Functional Materials: From a Near-Infrared-Absorbing Dye to a Single-Molecule Magnet.","Journal of the American Chemical Society","2017","139","34","12069","12075","10.1021/jacs.7b06795","","","0.71073","MoKα","","0.0908","0.0676","","","0.1872","0.2032","","","","","","1.088","","","","has coordinates,has disorder","241738","2020-10-21","18:00:00",""
"4131559","20.861","0.004","16.206","0.003","12.709","0.002","90","","90","","90","","4296.6","1.3","123","2","123","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C16 H4.5 Al0.5 Co0.5 Cr0.5 F18 O4.5 -","- C16 H4.5 Al0.5 Co0.5 Cr0.5 F18 O4.5 -","- C128 H36 Al4 Co4 Cr4 F144 O36 -","8","1","","Wang, Wenqing; Li, Jing; Yin, Lei; Zhao, Yue; Ouyang, Zhongwen; Wang, Xinping; Wang, Zhenxing; Song, You; Power, Philip P.","Half-Sandwich Metal Carbonyl Complexes as Precursors to Functional Materials: From a Near-Infrared-Absorbing Dye to a Single-Molecule Magnet.","Journal of the American Chemical Society","2017","139","34","12069","12075","10.1021/jacs.7b06795","","","0.71073","MoKα","","0.0788","0.0661","","","0.1635","0.1708","","","","","","1.15","","","","has coordinates,has disorder","241739","2020-10-21","18:00:00",""
"4131560","13.677","0.002","65.136","0.01","25.789","0.004","90","","90","","90","","22975","6","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C39 H18 Al2 Cr2 F48 N0 O11 -","- C39 H18 Al2 Cr2 F48 O11 -","- C624 H288 Al32 Cr32 F768 O176 -","16","1","","Wang, Wenqing; Li, Jing; Yin, Lei; Zhao, Yue; Ouyang, Zhongwen; Wang, Xinping; Wang, Zhenxing; Song, You; Power, Philip P.","Half-Sandwich Metal Carbonyl Complexes as Precursors to Functional Materials: From a Near-Infrared-Absorbing Dye to a Single-Molecule Magnet.","Journal of the American Chemical Society","2017","139","34","12069","12075","10.1021/jacs.7b06795","","","0.71073","MoKα","","0.1197","0.0843","","","0.1996","0.2185","","","","","","1.074","","","","has coordinates","241740","2020-10-21","18:00:00",""
"4131561","6.6045","0.0006","10.5502","0.001","9.9087","0.0009","90","","99.277","0.002","90","","681.4","0.11","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O2 Si2 -","- C12 H18 O2 Si2 -","- C24 H36 O4 Si4 -","2","0.5","","Fang, Huaquan; Hou, Wenjun; Liu, Guixia; Huang, Zheng","Ruthenium-Catalyzed Site-Selective Intramolecular Silylation of Primary C-H Bonds for Synthesis of Sila-Heterocycles.","Journal of the American Chemical Society","2017","139","33","11601","11609","10.1021/jacs.7b06798","","","0.71073","MoKα","","0.0299","0.0276","","","0.077","0.079","","","","","","1.085","","","","has coordinates","241741","2020-10-21","18:00:00",""
"4131562","14.783","0.003","11.788","0.002","11.937","0.002","90","","103.039","0.004","90","","2026.5","0.6","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Si3 -","- C18 H30 Si3 -","- C72 H120 Si12 -","4","1","","Fang, Huaquan; Hou, Wenjun; Liu, Guixia; Huang, Zheng","Ruthenium-Catalyzed Site-Selective Intramolecular Silylation of Primary C-H Bonds for Synthesis of Sila-Heterocycles.","Journal of the American Chemical Society","2017","139","33","11601","11609","10.1021/jacs.7b06798","","","0.71073","MoKα","","0.0708","0.0451","","","0.1174","0.1329","","","","","","1.036","","","","has coordinates","241742","2020-10-21","18:00:00",""
"4131563","9.6756","0.0005","9.9965","0.0005","10.5598","0.0006","73.852","0.002","71.287","0.002","71.142","0.002","897.95","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1776","","","- C19 H28 O3 S -","- C19 H28 O3 S -","- C38 H56 O6 S2 -","2","1","","Winter, Nils; Trauner, Dirk","Thiocarbonyl Ylide Chemistry Enables a Concise Synthesis of (±)-Hippolachnin A.","Journal of the American Chemical Society","2017","139","34","11706","11709","10.1021/jacs.7b06815","","","0.71073","MoKα","","0.0448","0.0356","","","0.0883","0.0954","","","","","","1.062","","","","has coordinates","241743","2020-10-21","18:00:00",""
"4131564","13.4104","0.0004","9.3905","0.0003","13.447","0.0003","90","","105.038","0.001","90","","1635.39","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","HL115","","","- C17 H26 O2 S -","- C17 H26 O2 S -","- C68 H104 O8 S4 -","4","1","","Winter, Nils; Trauner, Dirk","Thiocarbonyl Ylide Chemistry Enables a Concise Synthesis of (±)-Hippolachnin A.","Journal of the American Chemical Society","2017","139","34","11706","11709","10.1021/jacs.7b06815","","","0.71073","MoKα","","0.047","0.0359","","","0.0873","0.0948","","","","","","1.038","","","","has coordinates","241743","2020-10-21","18:00:00",""
"4131565","9.2436","0.0004","10.9618","0.0004","34.6834","0.0015","90","","90","","90","","3514.3","0.3","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","PF156","sarpong138","","- C20 H26 O3 -","- C20 H26 O3 -","- C160 H208 O24 -","8","1","","Finkbeiner, Peter; Murai, Kenichi; Röpke, Michael; Sarpong, Richmond","Total Synthesis of Terpenoids Employing a ""Benzannulation of Carvone"" Strategy: Synthesis of (-)-Crotogoudin.","Journal of the American Chemical Society","2017","139","33","11349","11352","10.1021/jacs.7b06823","","","1.54178","CuKα","","0.0704","0.0664","","","0.1451","0.1468","","","","","","1.127","","","","has coordinates,has disorder","241744","2020-10-21","18:00:00",""
"4131566","11.2752","0.0012","11.761","0.0012","12.3224","0.0013","90","","90","","90","","1634","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","pf262a","","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","","Finkbeiner, Peter; Murai, Kenichi; Röpke, Michael; Sarpong, Richmond","Total Synthesis of Terpenoids Employing a ""Benzannulation of Carvone"" Strategy: Synthesis of (-)-Crotogoudin.","Journal of the American Chemical Society","2017","139","33","11349","11352","10.1021/jacs.7b06823","","","1.54178","CuKα","","0.0277","0.0277","","","0.0734","0.0735","","","","","","1.063","","","","has coordinates","241745","2020-10-21","18:00:00",""
"4131567","9.16","0.0018","10.94","0.002","17.452","0.004","102.47","0.03","97.46","0.03","95.07","0.03","1680.9","0.7","293","2","293","2","","","","","","","","6","P 1","P 1","1","TpMes CoCl","Cobalt Trispyrazolylmesitylborate chloride","","- C36 H40 B Cl Co N6 -","- C36 H40 B Cl Co N6 -","- C72 H80 B2 Cl2 Co2 N12 -","2","2","","Dubey, Romain J.-C.; Comito, Robert J.; Wu, Zhenwei; Zhang, Guanghui; Rieth, Adam J.; Hendon, Christopher H.; Miller, Jeffrey T.; Dincă, Mircea","Highly Stereoselective Heterogeneous Diene Polymerization by Co-MFU-4l: A Single-Site Catalyst Prepared by Cation Exchange.","Journal of the American Chemical Society","2017","139","36","12664","12669","10.1021/jacs.7b06841","","","0.71073","MoKα","","0.0302","0.028","","","0.0709","0.0721","","","","","","1.029","","","","has coordinates","241746","2020-10-21","18:00:00",""
"4131568","9.0038","0.0014","11.3166","0.0017","17.839","0.003","103.802","0.003","95.013","0.003","94.018","0.003","1750.6","0.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","TpMes CoAllyl","Cobalt Trispyrazolylmesitylborate allyl","","- C39 H45 B Co N6 -","- C39 H45 B Co N6 -","- C78 H90 B2 Co2 N12 -","2","2","","Dubey, Romain J.-C.; Comito, Robert J.; Wu, Zhenwei; Zhang, Guanghui; Rieth, Adam J.; Hendon, Christopher H.; Miller, Jeffrey T.; Dincă, Mircea","Highly Stereoselective Heterogeneous Diene Polymerization by Co-MFU-4l: A Single-Site Catalyst Prepared by Cation Exchange.","Journal of the American Chemical Society","2017","139","36","12664","12669","10.1021/jacs.7b06841","","","0.71073","MoKα","","0.059","0.0444","","","0.1083","0.1154","","","","","","1.036","","","","has coordinates","241747","2020-10-21","18:00:00",""
"4131569","13.5418","0.0012","12.5775","0.0014","14.9257","0.0017","90","","110.15","0.003","90","","2386.6","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N O3 P Pd -","- C26 H28 N O3 P Pd -","- C104 H112 N4 O12 P4 Pd4 -","4","1","","Zhu, Ru-Yi; Liu, Luo-Yan; Yu, Jin-Quan","Highly Versatile β-C(sp<sup>3</sup>)-H Iodination of Ketones Using a Practical Auxiliary.","Journal of the American Chemical Society","2017","139","36","12394","12397","10.1021/jacs.7b06851","","x-ray","0.71073","MoKα","K-L~3~","0.0313","0.0235","","","0.0563","0.0603","","","","","","1.035","","","","has coordinates","241748","2020-10-21","18:00:00",""
"4131570","13.3492","0.0005","27.9262","0.0013","31.5473","0.0018","73.377","0.004","89.81","0.004","80.969","0.003","11118.6","1","100","2","100.03","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H64 F42 N8 P7 -","- C80 H64 F42 N8 P7 -","- C320 H256 F168 N32 P28 -","4","2","","Sun, Junling; Liu, Zhichang; Liu, Wei-Guang; Wu, Yilei; Wang, Yuping; Barnes, Jonathan C.; Hermann, Keith R.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Mechanical-Bond-Protected, Air-Stable Radicals.","Journal of the American Chemical Society","2017","139","36","12704","12709","10.1021/jacs.7b06857","","","1.54178","CuKα","","0.2088","0.1428","","","0.3722","0.4038","","","","","","1.199","","","","has coordinates","241749","2020-10-21","18:00:00",""
"4131571","13.4859","0.0007","16.4625","0.0008","22.4987","0.0011","86.055","0.002","88.919","0.002","82.503","0.002","4940.3","0.4","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H82 F42 N14 P7 -","- C88 H82 F42 N14 P7 -","- C176 H164 F84 N28 P14 -","2","1","","Sun, Junling; Liu, Zhichang; Liu, Wei-Guang; Wu, Yilei; Wang, Yuping; Barnes, Jonathan C.; Hermann, Keith R.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Mechanical-Bond-Protected, Air-Stable Radicals.","Journal of the American Chemical Society","2017","139","36","12704","12709","10.1021/jacs.7b06857","","","1.54178","CuKα","","0.0925","0.0809","","","0.2255","0.2347","","","","","","1.05","","","","has coordinates,has disorder","241750","2020-10-21","18:00:00",""
"4131572","11.0874","0.0005","17.363","0.0007","18.0711","0.0008","90","","97.398","0.003","90","","3449.9","0.3","100","2","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C70 H62 Br2 F24 N8 P4 -","- C70 H62 Br2 F24 N8 P4 -","- C140 H124 Br4 F48 N16 P8 -","2","0.5","","Sun, Junling; Liu, Zhichang; Liu, Wei-Guang; Wu, Yilei; Wang, Yuping; Barnes, Jonathan C.; Hermann, Keith R.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Mechanical-Bond-Protected, Air-Stable Radicals.","Journal of the American Chemical Society","2017","139","36","12704","12709","10.1021/jacs.7b06857","","","1.54178","CuKα","","0.0795","0.0705","","","0.2042","0.2137","","","","","","1.06","","","","has coordinates,has disorder","241751","2020-10-21","18:00:00",""
"4131573","26.9034","0.0018","11.6349","0.0007","30.983","0.002","90","","113.932","0.002","90","","8864.5","1","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C91.5 H72 Co3 N18 O6 -","- C91.5 H69 Co3 N18 O6 -","- C366 H276 Co12 N72 O24 -","4","1","","Alexandropoulos, Dimitris I.; Dolinar, Brian S.; Vignesh, Kuduva R.; Dunbar, Kim R.","Putting a New Spin on Supramolecular Metallacycles: Co<sub>3</sub> Triangle and Co<sub>4</sub> Square Bearing Tetrazine-Based Radicals as Bridges.","Journal of the American Chemical Society","2017","139","32","11040","11043","10.1021/jacs.7b06925","","x-ray","0.71073","MoKα","K-L~3~","0.1194","0.0868","","","0.2157","0.2392","","","","","","1.028","","","","has coordinates,has disorder","241752","2020-10-21","18:00:00",""
"4131574","19.0961","0.0016","33.161","0.003","34.712","0.003","90","","90","","90","","21981","3","200","","200","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C116.5 H88.26 Co4 N28.25 O8 -","- C116.584 H88.408 Co4 N28.292 O8 -","- C932.672 H707.264 Co32 N226.336 O64 -","8","1","","Alexandropoulos, Dimitris I.; Dolinar, Brian S.; Vignesh, Kuduva R.; Dunbar, Kim R.","Putting a New Spin on Supramolecular Metallacycles: Co<sub>3</sub> Triangle and Co<sub>4</sub> Square Bearing Tetrazine-Based Radicals as Bridges.","Journal of the American Chemical Society","2017","139","32","11040","11043","10.1021/jacs.7b06925","","x-ray","0.71073","MoKα","K-L~3~","0.1228","0.0876","","","0.1854","0.2024","","","","","","1.165","","","","has coordinates,has disorder","241752","2020-10-21","18:00:00",""
"4131575","8.071","0.002","10.749","0.003","19.914","0.005","90","","90","","90","","1727.6","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Br Cl2 N2 O -","- C15 H19 Br Cl2 N2 O -","- C60 H76 Br4 Cl8 N8 O4 -","4","1","","Maetani, Micah; Zoller, Jochen; Melillo, Bruno; Verho, Oscar; Kato, Nobutaka; Pu, Jun; Comer, Eamon; Schreiber, Stuart L.","Synthesis of a Bicyclic Azetidine with In Vivo Antimalarial Activity Enabled by Stereospecific, Directed C(sp<sup>3</sup>)-H Arylation.","Journal of the American Chemical Society","2017","139","32","11300","11306","10.1021/jacs.7b06994","","","0.71073","MoKα","","0.0447","0.0321","","","0.0748","0.0808","","","","","","1.025","","","","has coordinates,has disorder","241753","2020-10-21","18:00:00",""
"4131576","7.7531","0.0014","6.6125","0.0012","16.284","0.003","90","","94.153","0.003","90","","832.6","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Br N3 O -","- C19 H16 Br N3 O -","- C38 H32 Br2 N6 O2 -","2","1","","Maetani, Micah; Zoller, Jochen; Melillo, Bruno; Verho, Oscar; Kato, Nobutaka; Pu, Jun; Comer, Eamon; Schreiber, Stuart L.","Synthesis of a Bicyclic Azetidine with In Vivo Antimalarial Activity Enabled by Stereospecific, Directed C(sp<sup>3</sup>)-H Arylation.","Journal of the American Chemical Society","2017","139","32","11300","11306","10.1021/jacs.7b06994","","","0.71073","MoKα","","0.0248","0.0231","","","0.057","0.0577","","","","","","1.067","","","","has coordinates","241754","2020-10-21","18:00:00",""
"4131577","22.747","0.003","13.7801","0.0018","15.497","0.002","90","","119.541","0.002","90","","4226.2","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H44 Mn2 Mo N19 O4 -","- C33 H44 Mn2 Mo N19 O4 -","- C132 H176 Mn8 Mo4 N76 O16 -","4","0.5","","Wu, Dong-Qing; Shao, Dong; Wei, Xiao-Qin; Shen, Fu-Xing; Shi, Le; Kempe, David; Zhang, Yuan-Zhu; Dunbar, Kim R.; Wang, Xin-Yi","Reversible On-Off Switching of a Single-Molecule Magnet via a Crystal-to-Crystal Chemical Transformation.","Journal of the American Chemical Society","2017","139","34","11714","11717","10.1021/jacs.7b07008","","","0.71073","MoKα","","0.0834","0.0482","","","0.106","0.1216","","","","","","1.023","","","","has coordinates","241755","2020-10-21","18:00:00",""
"4131578","15.059","0.008","13.982","0.008","19.194","0.01","90","","99.926","0.008","90","","3981","4","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H72 Mn4 Mo2 N38 O2 -","- C66 H72 Mn4 Mo2 N38 O2 -","- C132 H144 Mn8 Mo4 N76 O4 -","2","0.25","","Wu, Dong-Qing; Shao, Dong; Wei, Xiao-Qin; Shen, Fu-Xing; Shi, Le; Kempe, David; Zhang, Yuan-Zhu; Dunbar, Kim R.; Wang, Xin-Yi","Reversible On-Off Switching of a Single-Molecule Magnet via a Crystal-to-Crystal Chemical Transformation.","Journal of the American Chemical Society","2017","139","34","11714","11717","10.1021/jacs.7b07008","","","0.71073","MoKα","","0.0732","0.0534","","","0.1424","0.1607","","","","","","1.078","","","","has coordinates","241755","2020-10-21","18:00:00",""
"4131579","7.967","0.001","8.4581","0.0011","30.254","0.004","90","","90","","90","","2038.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 I O8 -","- C18 H21 I O8 -","- C72 H84 I4 O32 -","4","1","","Hu, Yang; Yu, Ke; Shi, Li-Li; Liu, Lei; Sui, Jing-Jing; Liu, De-Yong; Xiong, Bin; Sun, Jian-Song","o-(p-Methoxyphenylethynyl)phenyl Glycosides: Versatile New Glycosylation Donors for the Highly Efficient Construction of Glycosidic Linkages.","Journal of the American Chemical Society","2017","139","36","12736","12744","10.1021/jacs.7b07020","","","0.71073","MoKα","","0.0369","0.0345","","","0.0774","0.0787","","","","","","1.088","","","","has coordinates","241756","2020-10-21","18:00:00",""
"4131580","11.3973","0.0016","9.3083","0.0013","12.632","0.0017","90","","111.857","0.003","90","","1243.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H22 F3 I O10 -","- C21 H22 F3 I O10 -","- C42 H44 F6 I2 O20 -","2","1","","Hu, Yang; Yu, Ke; Shi, Li-Li; Liu, Lei; Sui, Jing-Jing; Liu, De-Yong; Xiong, Bin; Sun, Jian-Song","o-(p-Methoxyphenylethynyl)phenyl Glycosides: Versatile New Glycosylation Donors for the Highly Efficient Construction of Glycosidic Linkages.","Journal of the American Chemical Society","2017","139","36","12736","12744","10.1021/jacs.7b07020","","","0.71073","MoKα","","0.04","0.0381","","","0.1026","0.1044","","","","","","1.053","","","","has coordinates,has disorder","241757","2020-10-21","18:00:00",""
"4131581","10.12744","0.00005","10.12744","0.00005","28.887","0.0003","90","","90","","90","","2962.8","0.04","100.01","0.1","100.01","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C14 H17 Cl F3 N O -","- C14 H17 Cl F3 N O -","- C112 H136 Cl8 F24 N8 O8 -","8","1","","Pedroni, Julia; Cramer, Nicolai","Enantioselective C-H Functionalization-Addition Sequence Delivers Densely Substituted 3-Azabicyclo[3.1.0]hexanes.","Journal of the American Chemical Society","2017","139","36","12398","12401","10.1021/jacs.7b07024","","x-ray","1.54184","CuKα","","0.0203","0.0199","","","0.0533","0.0536","","","","","","1.096","","","","has coordinates","241758","2020-10-21","18:00:00",""
"4131582","14.22616","0.00019","24.8597","0.0004","37.9388","0.0004","81.9672","0.001","87.8161","0.001","76.5409","0.0012","12920.6","0.3","120","0.1","120","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C12 H199 As2 Co9 N2 Na25 O269 P6 W45 -","- C12 H12 As2 Co9 N2 Na25 O269 P6 W45 -","- C24 H24 As4 Co18 N4 Na50 O538 P12 W90 -","2","1","","Yi, Xiaofeng; Izarova, Natalya V.; Stuckart, Maria; Guérin, David; Thomas, Louis; Lenfant, Stéphane; Vuillaume, Dominique; van Leusen, Jan; Duchoň, Tomáš; Nemšák, Slavomír; Bourone, Svenja D. M.; Schmitz, Sebastian; Kögerler, Paul","Probing Frontier Orbital Energies of {Co<sub>9</sub>(P<sub>2</sub>W<sub>15</sub>)<sub>3</sub>} Polyoxometalate Clusters at Molecule-Metal and Molecule-Water Interfaces.","Journal of the American Chemical Society","2017","139","41","14501","14510","10.1021/jacs.7b07034","","","0.71073","MoKα","","0.0771","0.0643","","","0.1374","0.1443","","","","","","1.142","","","","has coordinates,has disorder","241759","2020-10-21","18:00:00",""
"4131583","25.8088","0.0003","25.8336","0.0003","27.1598","0.0003","78.1282","0.0011","61.7276","0.0014","60.622","0.0014","13888.9","0.4","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C12 H197 As2 Co9 Na25 O269 P6 W45 -","- C12 H10 As2 Co9 Na16.27 O243 P6 W45 -","- C24 H20 As4 Co18 Na32.54 O486 P12 W90 -","2","1","","Yi, Xiaofeng; Izarova, Natalya V.; Stuckart, Maria; Guérin, David; Thomas, Louis; Lenfant, Stéphane; Vuillaume, Dominique; van Leusen, Jan; Duchoň, Tomáš; Nemšák, Slavomír; Bourone, Svenja D. M.; Schmitz, Sebastian; Kögerler, Paul","Probing Frontier Orbital Energies of {Co<sub>9</sub>(P<sub>2</sub>W<sub>15</sub>)<sub>3</sub>} Polyoxometalate Clusters at Molecule-Metal and Molecule-Water Interfaces.","Journal of the American Chemical Society","2017","139","41","14501","14510","10.1021/jacs.7b07034","","","0.71073","MoKα","","0.0923","0.0614","","","0.145","0.1698","","","","","","1.057","","","","has coordinates","241760","2020-10-21","18:00:00",""
"4131584","12.9317","0.0005","22.3762","0.0009","18.9484","0.0006","90","","104.763","0.002","90","","5302","0.3","100","2","100.05","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cu0.67 K0.67 N2 O4 -","- C40 H44 Cu0.666667 K0.666667 N2 O4 -","- C240 H264 Cu4 K4 N12 O24 -","6","1.5","","Ahn, Jun Myun; Ratani, Tanvi S.; Hannoun, Kareem I.; Fu, Gregory C.; Peters, Jonas C.","Photoinduced, Copper-Catalyzed Alkylation of Amines: A Mechanistic Study of the Cross-Coupling of Carbazole with Alkyl Bromides.","Journal of the American Chemical Society","2017","139","36","12716","12723","10.1021/jacs.7b07052","","","1.54178","CuKα","","0.1845","0.1065","","","0.2568","0.3014","","","","","","1.043","","","","has coordinates,has disorder","241761","2020-10-21","18:00:00",""
"4131585","19.7038","0.0015","26.008","0.002","35.273","0.003","90","","90","","90","","18076","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","7","","","- C81 H121 Cu O9 P2 Si2 -","- C81 H121 Cu O9 P2 Si2 -","- C648 H968 Cu8 O72 P16 Si16 -","8","2","","Xi, Yumeng; Hartwig, John F.","Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes.","Journal of the American Chemical Society","2017","139","36","12758","12772","10.1021/jacs.7b07124","","","0.71073","MoKα","","0.0969","0.0678","","","0.1711","0.1908","","","","","","1.023","","","","has coordinates,has disorder","241762","2020-10-21","18:00:00",""
"4131586","13.8472","0.0011","23.0453","0.0015","29.284","0.002","90","","90","","90","","9344.9","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","YX3-287","6","","- C74 H100 Cl Cu O8 P2 -","- C74 H100 Cl Cu O8 P2 -","- C296 H400 Cl4 Cu4 O32 P8 -","4","1","","Xi, Yumeng; Hartwig, John F.","Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes.","Journal of the American Chemical Society","2017","139","36","12758","12772","10.1021/jacs.7b07124","","","0.71073","MoKα","","0.0971","0.0718","","","0.1748","0.185","","","","","","1.061","","","","has coordinates","241763","2020-10-21","18:00:00",""
"4131587","19.5026","0.0011","26.0918","0.0016","35.42","0.002","90","","90","","90","","18023.7","1.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","16","","- C74 H104 B Cu O8 P2 -","- C74 H104 B Cu O8 P2 -","- C592 H832 B8 Cu8 O64 P16 -","8","2","","Xi, Yumeng; Hartwig, John F.","Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes.","Journal of the American Chemical Society","2017","139","36","12758","12772","10.1021/jacs.7b07124","","","1.54178","CuKα","","0.0547","0.0458","","","0.1175","0.1229","","","","","","1.065","","","","has coordinates","241764","2020-10-21","18:00:00",""
"4131588","21.5938","0.0004","21.5938","0.0004","17.8485","0.0004","90","","90","","90","","8322.6","0.3","200","2","200","2","","","","","","","","5","P 4","P 4","75","","27","","- C76 H58 Cu2 O8 P4 -","- C76 H58 Cu2 O8 P4 -","- C304 H232 Cu8 O32 P16 -","4","1","","Xi, Yumeng; Hartwig, John F.","Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes.","Journal of the American Chemical Society","2017","139","36","12758","12772","10.1021/jacs.7b07124","","","1.54178","CuKα","","0.0941","0.0799","","","0.2013","0.2204","","","","","","1.066","","","","has coordinates","241765","2020-10-21","18:00:00",""
"4131589","14.0112","0.0009","23.8266","0.0017","28.7899","0.0019","90","","90","","90","","9611.2","1.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","12","","- C102 H142 Cu F O9 P2 Si2 -","- C102 H142 Cu F O9 P2 Si2 -","- C408 H568 Cu4 F4 O36 P8 Si8 -","4","1","","Xi, Yumeng; Hartwig, John F.","Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes.","Journal of the American Chemical Society","2017","139","36","12758","12772","10.1021/jacs.7b07124","","","1.54178","CuKα","","0.1089","0.1031","","","0.2649","0.2704","","","","","","1.09","","","","has coordinates","241766","2020-10-21","18:00:00",""
"4131590","6.81","0.0014","13.68","0.003","11.66","0.002","90","","90.35","0.03","90","","1086.2","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Br4 Cu2 N2 O2 -","- C16 H28 Br4 Cu2 N2 O2 -","- C32 H56 Br8 Cu4 N4 O4 -","2","0.5","","Walroth, Richard C.; Miles, Kelsey C.; Lukens, James T.; MacMillan, Samantha N.; Stahl, Shannon S.; Lancaster, Kyle M.","Electronic Structural Analysis of Copper(II)-TEMPO/ABNO Complexes Provides Evidence for Copper(I)-Oxoammonium Character.","Journal of the American Chemical Society","2017","139","38","13507","13517","10.1021/jacs.7b07186","","x-ray","0.71073","MoKα","","0.0371","0.037","","","0.1098","0.1098","","","","","","1.196","","","","has coordinates","241767","2020-10-21","18:00:00",""
"4131591","6.8286","0.0001","13.2674","0.0003","11.3528","0.0002","90","","90.371","0.001","90","","1028.52","0.03","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Cl4 Cu2 N2 O2 -","- C16 H28 Cl4 Cu2 N2 O2 -","- C32 H56 Cl8 Cu4 N4 O4 -","2","0.5","","Walroth, Richard C.; Miles, Kelsey C.; Lukens, James T.; MacMillan, Samantha N.; Stahl, Shannon S.; Lancaster, Kyle M.","Electronic Structural Analysis of Copper(II)-TEMPO/ABNO Complexes Provides Evidence for Copper(I)-Oxoammonium Character.","Journal of the American Chemical Society","2017","139","38","13507","13517","10.1021/jacs.7b07186","","x-ray","0.71073","MoKα","","0.0172","0.0161","","","0.0465","0.047","","","","","","1.099","","","","has coordinates","241768","2020-10-21","18:00:00",""
"4131592","17.9409","0.0013","5.0852","0.0004","23.236","0.0018","90","","91.934","0.007","90","","2118.7","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 N O -","- C14 H9 N O -","- C112 H72 N8 O8 -","8","1","","Tan, Guangying; Zhu, Lei; Liao, Xingrong; Lan, Yu; You, Jingsong","Rhodium/Copper Cocatalyzed Highly trans-Selective 1,2-Diheteroarylation of Alkynes with Azoles via C-H Addition/Oxidative Cross-Coupling: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2017","139","44","15724","15737","10.1021/jacs.7b07242","","x-ray","1.54184","CuKα","","0.1303","0.0872","","","0.2421","0.3121","","","","","","1.045","","","","has coordinates","241769","2020-10-21","18:00:00",""
"4131593","11.4352","0.0003","5.89377","0.00016","23.7233","0.0008","90","","103.54","0.003","90","","1554.43","0.08","293.52","0.1","293.52","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N O -","- C21 H15 N O -","- C84 H60 N4 O4 -","4","1","","Tan, Guangying; Zhu, Lei; Liao, Xingrong; Lan, Yu; You, Jingsong","Rhodium/Copper Cocatalyzed Highly trans-Selective 1,2-Diheteroarylation of Alkynes with Azoles via C-H Addition/Oxidative Cross-Coupling: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2017","139","44","15724","15737","10.1021/jacs.7b07242","","x-ray","1.54184","CuKα","","0.0579","0.0532","","","0.1396","0.1476","","","","","","1.039","","","","has coordinates","241770","2020-10-21","18:00:00",""
"4131594","21.4506","0.0017","21.4506","0.0017","28.554","0.003","90","","90","","90","","13139","2","100.01","0.1","100.01","0.1","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C64 H128 Co12 Mo6 N4 O19 P8 Se16 -","- C64 H128 Co12 Mo6 N4 O19 P8 Se16 -","- C256 H512 Co48 Mo24 N16 O76 P32 Se64 -","4","0.25","","Champsaur, Anouck M.; Mézière, Cécile; Allain, Magali; Paley, Daniel W.; Steigerwald, Michael L.; Nuckolls, Colin; Batail, Patrick","Weaving Nanoscale Cloth through Electrostatic Templating.","Journal of the American Chemical Society","2017","139","34","11718","11721","10.1021/jacs.7b07279","","x-ray","1.54184","CuKα","","0.1906","0.0997","","","0.24","0.3005","","","","","","0.98","","","","has coordinates,has disorder","241771","2020-10-21","18:00:00",""
"4131595","21.65893","0.00019","21.65893","0.00019","28.918","0.0004","90","","90","","90","","13565.7","0.3","100.01","0.1","100.01","0.1","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C82.18 H149.09 Co12 Mo6 N6.55 O21 P8 Se16 -","- C82.176 H149.088 Co12 Mo6 N6.544 O21 P8 Se16 -","- C328.704 H596.352 Co48 Mo24 N26.176 O84 P32 Se64 -","4","0.25","","Champsaur, Anouck M.; Mézière, Cécile; Allain, Magali; Paley, Daniel W.; Steigerwald, Michael L.; Nuckolls, Colin; Batail, Patrick","Weaving Nanoscale Cloth through Electrostatic Templating.","Journal of the American Chemical Society","2017","139","34","11718","11721","10.1021/jacs.7b07279","","x-ray","1.54184","CuKα","","0.0526","0.0422","","","0.1061","0.115","","","","","","1.05","","","","has coordinates,has disorder","241772","2020-10-21","18:00:00",""
"4131596","5.7214","0.0003","9.7243","0.0006","31.378","0.002","90","","90","","90","","1745.77","0.18","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Br N O S -","- C17 H24 Br N O S -","- C68 H96 Br4 N4 O4 S4 -","4","1","","Chogii, Isaac; Das, Pradipta; Fell, Jason S.; Scott, Kevin A.; Crawford, Mark N.; Houk, K. N.; Njardarson, Jon T.","New Class of Anion-Accelerated Amino-Cope Rearrangements as Gateway to Diverse Chiral Structures.","Journal of the American Chemical Society","2017","139","37","13141","13146","10.1021/jacs.7b07319","","","0.71073","MoKα","","0.0557","0.05","","","0.1117","0.1137","","","","","","1.147","","","","has coordinates","241773","2020-10-21","18:00:00",""
"4131597","5.6544","0.0002","10.156","0.0005","34.5988","0.0015","90","","90","","90","","1986.87","0.15","100","2","100.02","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C92 H100 N4 O8 S4 -","4","1","","Chogii, Isaac; Das, Pradipta; Fell, Jason S.; Scott, Kevin A.; Crawford, Mark N.; Houk, K. N.; Njardarson, Jon T.","New Class of Anion-Accelerated Amino-Cope Rearrangements as Gateway to Diverse Chiral Structures.","Journal of the American Chemical Society","2017","139","37","13141","13146","10.1021/jacs.7b07319","","","0.71073","MoKα","","0.0375","0.0324","","","0.0927","0.0986","","","","","","0.772","","","","has coordinates","241774","2020-10-21","18:00:00",""
"4131598","21.096","0.006","36.965","0.01","44.576","0.013","90","","90","","90","","34761","17","93","2","93","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C44 H35 N1.5 -","- C44 H35 N1.5 -","- C1408 H1120 N48 -","32","1","","Lu, Xuefeng; Lee, Sangsu; Hong, Yongseok; Phan, Hoa; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Tanaka, Takayuki; Sandoval-Salinas, María Eugenia; Zeng, Wangdong; Ding, Jun; Casanova, David; Osuka, Atsuhiro; Kim, Dongho; Wu, Jishan","Fluorenyl Based Macrocyclic Polyradicaloids.","Journal of the American Chemical Society","2017","139","37","13173","13183","10.1021/jacs.7b07335","","","1.54187","CuKα","","0.1201","0.092","","","0.243","0.276","","","","","","1.052","","","","has coordinates,has disorder","241775","2020-10-21","18:00:00",""
"4131599","9.6","0.003","10.02","0.003","11.759","0.004","109.47","0.018","104.215","0.011","99.016","0.016","997.9","0.6","100","2","100.05","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N3 O2 Pd -","- C18 H25 N3 O2 Pd -","- C36 H50 N6 O4 Pd2 -","2","1","","Tereniak, Stephen J.; Stahl, Shannon S.","Mechanistic Basis for Efficient, Site-Selective, Aerobic Catalytic Turnover in Pd-Catalyzed C-H Imidoylation of Heterocycle-Containing Molecules.","Journal of the American Chemical Society","2017","139","41","14533","14541","10.1021/jacs.7b07359","","","0.71073","MoKα","","0.0289","0.0244","","","0.0518","0.0536","","","","","","1.029","","","","has coordinates","241776","2020-10-21","18:00:00",""
"4131600","10.628","0.003","11.741","0.0017","19.964","0.003","103.971","0.005","99.063","0.007","92.649","0.011","2378.1","0.8","100","2","99.91","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H56 N4 O8 Pd4 -","- C48 H56 N4 O8 Pd4 -","- C96 H112 N8 O16 Pd8 -","2","1","","Tereniak, Stephen J.; Stahl, Shannon S.","Mechanistic Basis for Efficient, Site-Selective, Aerobic Catalytic Turnover in Pd-Catalyzed C-H Imidoylation of Heterocycle-Containing Molecules.","Journal of the American Chemical Society","2017","139","41","14533","14541","10.1021/jacs.7b07359","","","1.54178","CuKα","","0.021","0.0199","","","0.0536","0.0542","","","","","","1.09","","","","has coordinates,has disorder","241778","2020-10-21","18:00:00",""
"4131601","10.0503","0.0008","8.7166","0.0005","15.0873","0.0009","90","","91.12","0.003","90","","1321.46","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O2 Pd -","- C12 H13 N3 O2 Pd -","- C48 H52 N12 O8 Pd4 -","4","1","","Tereniak, Stephen J.; Stahl, Shannon S.","Mechanistic Basis for Efficient, Site-Selective, Aerobic Catalytic Turnover in Pd-Catalyzed C-H Imidoylation of Heterocycle-Containing Molecules.","Journal of the American Chemical Society","2017","139","41","14533","14541","10.1021/jacs.7b07359","","x-ray","1.54178","CuKα","","0.0158","0.0156","","","0.0387","0.0387","","","","","","1.131","","","","has coordinates","241779","2020-10-21","18:00:00",""
"4131602","9.40913","0.00014","5.77298","0.00008","15.8083","0.0002","90","","95.2361","0.0015","90","","855.1","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C40 H52 O8 -","2","1","","Zhang, Peng-Peng; Yan, Zhi-Ming; Li, Yuan-He; Gong, Jian-Xian; Yang, Zhen","Enantioselective Total Synthesis of (-)-Pavidolide B.","Journal of the American Chemical Society","2017","139","40","13989","13992","10.1021/jacs.7b07388","","x-ray","1.54184","CuKα","","0.03","0.0293","","","0.0767","0.0774","","","","","","1.037","","","","has coordinates","241780","2020-10-21","18:00:00",""
"4131603","11.5612","0.0002","6.2572","0.0001","11.9279","0.0002","90","","108.933","0.002","90","","816.19","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Zhang, Peng-Peng; Yan, Zhi-Ming; Li, Yuan-He; Gong, Jian-Xian; Yang, Zhen","Enantioselective Total Synthesis of (-)-Pavidolide B.","Journal of the American Chemical Society","2017","139","40","13989","13992","10.1021/jacs.7b07388","","x-ray","1.54184","CuKα","","0.0378","0.0373","","","0.0985","0.099","","","","","","1.081","","","","has coordinates","241781","2020-10-21","18:00:00",""
"4131604","12.1126","0.0016","14.208","0.002","15.083","0.002","113.528","0.004","90.375","0.004","112.6","0.004","2157.6","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","Bis-2,6-pyridinedicarboxaldhydebis(p-aminophenylimine) cobalt tetrafluoroborate","","","- C42 H40 B2 Co F8 N12 -","- C42 H40 B2 Co F8 N12 -","- C84 H80 B4 Co2 F16 N24 -","2","1","","Zhao, Yingbo; Guo, Lei; Gándara, Felipe; Ma, Yanhang; Liu, Zheng; Zhu, Chenhui; Lyu, Hao; Trickett, Christopher A.; Kapustin, Eugene A.; Terasaki, Osamu; Yaghi, Omar M.","A Synthetic Route for Crystals of Woven Structures, Uniform Nanocrystals, and Thin Films of Imine Covalent Organic Frameworks.","Journal of the American Chemical Society","2017","139","37","13166","13172","10.1021/jacs.7b07457","","","0.7749","synchrotron","","0.1247","0.081","","","0.1841","0.205","","","","","","1.035","","","","has coordinates","241782","2020-10-21","18:00:00",""
"4131605","12.501","0.0012","17.5618","0.0016","24.024","0.002","90","","90","","90","","5274.2","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H87 N5 O7 -","- C46 H87 N5 O7 -","- C184 H348 N20 O28 -","4","1","","Roy, Olivier; Dumonteil, Geoffrey; Faure, Sophie; Jouffret, Laurent; Kriznik, Alexandre; Taillefumier, Claude","Homogeneous and Robust Polyproline Type I Helices from Peptoids with Nonaromatic α-Chiral Side Chains.","Journal of the American Chemical Society","2017","139","38","13533","13540","10.1021/jacs.7b07475","","","0.71073","MoKα","","0.0619","0.0401","","","0.0909","0.1005","","","","","","1.031","","","","has coordinates","241783","2020-10-21","18:00:00",""
"4131606","17.686","0.004","19.331","0.004","23.621","0.005","90","0.03","90","0.03","90","0.03","8076","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C269.5 H521.4 N32 O47.17 -","- C269.516 H521.376 N32 O47.172 -","- C269.516 H521.376 N32 O47.172 -","1","0.25","","Roy, Olivier; Dumonteil, Geoffrey; Faure, Sophie; Jouffret, Laurent; Kriznik, Alexandre; Taillefumier, Claude","Homogeneous and Robust Polyproline Type I Helices from Peptoids with Nonaromatic α-Chiral Side Chains.","Journal of the American Chemical Society","2017","139","38","13533","13540","10.1021/jacs.7b07475","","","0.71073","MoKα","","0.1004","0.0787","","","0.2156","0.2352","","","","","","1.05","","","","has coordinates,has disorder","241784","2020-10-21","18:00:00",""
"4131607","12.6885","0.0011","8.7452","0.0007","15.7923","0.0013","90","","100.645","0.0019","90","","1722.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl2 N2 O2 -","- C18 H16 Cl2 N2 O2 -","- C72 H64 Cl8 N8 O8 -","4","1","","Gieshoff, Tile; Kehl, Anton; Schollmeyer, Dieter; Moeller, Kevin D.; Waldvogel, Siegfried R.","Insights into the Mechanism of Anodic N-N Bond Formation by Dehydrogenative Coupling.","Journal of the American Chemical Society","2017","139","35","12317","12324","10.1021/jacs.7b07488","","","0.71073","MoKα","","0.0606","0.0437","","","0.1011","0.1097","","","","","","1.035","","","","has coordinates","241785","2020-10-21","18:00:00",""
"4131608","9.6978","0.0007","19.0063","0.0012","9.8181","0.0007","90","","107.945","0.002","90","","1721.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl2 N2 O2 -","- C18 H16 Cl2 N2 O2 -","- C72 H64 Cl8 N8 O8 -","4","1","","Gieshoff, Tile; Kehl, Anton; Schollmeyer, Dieter; Moeller, Kevin D.; Waldvogel, Siegfried R.","Insights into the Mechanism of Anodic N-N Bond Formation by Dehydrogenative Coupling.","Journal of the American Chemical Society","2017","139","35","12317","12324","10.1021/jacs.7b07488","","","0.71073","MoKα","","0.0828","0.065","","","0.1528","0.1617","","","","","","1.107","","","","has coordinates,has disorder","241786","2020-10-21","18:00:00",""
"4131609","10.0415","0.0012","10.4848","0.0013","14.889","0.0016","90.901","0.009","108.084","0.009","116.848","0.009","1306.8","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 F9 N2 O6 S -","- C22 H19 F9 N2 O6 S -","- C44 H38 F18 N4 O12 S2 -","2","1","","Gieshoff, Tile; Kehl, Anton; Schollmeyer, Dieter; Moeller, Kevin D.; Waldvogel, Siegfried R.","Insights into the Mechanism of Anodic N-N Bond Formation by Dehydrogenative Coupling.","Journal of the American Chemical Society","2017","139","35","12317","12324","10.1021/jacs.7b07488","","","1.54178","CuKα","","0.3263","0.1821","","","0.4253","0.5386","","","","","","1.33","","","","has coordinates","241787","2020-10-21","18:00:00",""
"4131610","14.714","0.0006","15.8048","0.0007","17.2717","0.0007","78.062","0.001","69.374","0.001","64.016","0.001","3372.5","0.2","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C45.33 H18.67 Cl4 F10 N6 O4 -","- C45.3333 H18.6667 Cl4 F10 N6 O4 -","- C136 H56 Cl12 F30 N18 O12 -","3","1.5","","Ruffin, Hervé; Nyame Mendendy Boussambe, Gildas; Roisnel, Thierry; Dorcet, Vincent; Boitrel, Bernard; Le Gac, Stéphane","Tren-Capped Hexaphyrin Zinc Complexes: Interplaying Molecular Recognition, Möbius Aromaticity, and Chirality.","Journal of the American Chemical Society","2017","139","39","13847","13857","10.1021/jacs.7b07559","","x-ray","0.71073","MoKα","","0.1414","0.116","","","0.3138","0.3325","","","","","","1.045","","","","has coordinates,has disorder","241788","2020-10-21","18:00:00",""
"4131611","18.035","0.002","31.918","0.004","16.6641","0.0018","90","","112.641","0.004","90","","8853.3","1.8","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H64 F15 N13 O3 -","- C84 H64 F15 N13 O3 -","- C336 H256 F60 N52 O12 -","4","1","","Ruffin, Hervé; Nyame Mendendy Boussambe, Gildas; Roisnel, Thierry; Dorcet, Vincent; Boitrel, Bernard; Le Gac, Stéphane","Tren-Capped Hexaphyrin Zinc Complexes: Interplaying Molecular Recognition, Möbius Aromaticity, and Chirality.","Journal of the American Chemical Society","2017","139","39","13847","13857","10.1021/jacs.7b07559","","x-ray","0.71073","MoKα","","0.1472","0.1062","","","0.2874","0.3228","","","","","","1.029","","","","has coordinates,has disorder","241788","2020-10-21","18:00:00",""
"4131612","14.8223","0.0007","30.7285","0.0017","27.9264","0.0015","90","","97.487","0.002","90","","12611.1","1.1","150","","150","","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C108 H86 Cl6 F18 N14 O8 S Zn -","- C108 H86 Cl6 F18 N14 O8 S Zn -","- C432 H344 Cl24 F72 N56 O32 S4 Zn4 -","4","1","","Ruffin, Hervé; Nyame Mendendy Boussambe, Gildas; Roisnel, Thierry; Dorcet, Vincent; Boitrel, Bernard; Le Gac, Stéphane","Tren-Capped Hexaphyrin Zinc Complexes: Interplaying Molecular Recognition, Möbius Aromaticity, and Chirality.","Journal of the American Chemical Society","2017","139","39","13847","13857","10.1021/jacs.7b07559","","x-ray","0.71073","MoKα","","0.1812","0.1208","","","0.2972","0.3335","","","","","","1.025","","","","has coordinates","241788","2020-10-21","18:00:00",""
"4131613","13.5506","0.0014","17.0353","0.0017","19.4352","0.0019","90","","96.963","0.001","90","","4453.3","0.8","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C192 H176 N16 O32 -","8","2","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0686","0.0487","","","0.1059","0.1164","","","","","","1.053","","","","has coordinates","241789","2020-10-21","18:00:00",""
"4131614","10.165","0.0001","15.7014","0.0002","11.7761","0.0002","90","","95.618","0.001","90","","1870.49","0.04","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C92 H80 N8 O16 -","4","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.042","0.0382","","","0.1033","0.1077","","","","","","0.995","","","","has coordinates","241790","2020-10-21","18:00:00",""
"4131615","19.1625","0.0006","9.8346","0.0002","10.853","0.0003","90","","103.106","0.002","90","","1992.03","0.09","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0306","0.0292","","","0.0821","0.0838","","","","","","0.997","","","","has coordinates","241791","2020-10-21","18:00:00",""
"4131616","7.8713","0.0001","12.6867","0.0002","21.0416","0.0004","90","","90","","90","","2101.23","0.06","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O6 -","- C25 H22 N2 O6 -","- C100 H88 N8 O24 -","4","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0658","0.0476","","","0.088","0.0961","","","","","","0.98","","","","has coordinates","241792","2020-10-21","18:00:00",""
"4131617","22.2584","0.0014","8.3015","0.0008","12.3291","0.0008","90","","114.434","0.001","90","","2074.1","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H20 Br N3 O5 -","- C24 H20 Br N3 O5 -","- C96 H80 Br4 N12 O20 -","4","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0302","0.0263","","","0.0578","0.0595","","","","","","1.054","","","","has coordinates","241793","2020-10-21","18:00:00",""
"4131618","13.188","0.0003","8.797","0.0002","13.2278","0.0003","90","","112.815","0.001","90","","1414.55","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C68 H64 N8 O16 -","4","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0507","0.0365","","","0.0867","0.0951","","","","","","1.002","","","","has coordinates","241794","2020-10-21","18:00:00",""
"4131619","29.116","0.006","12.199","0.002","15.114","0.003","90","","108.42","0.03","90","","5093.2","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","dmk36913b","","","- C32 H27 N3 O4 -","- C32 H27 N3 O4 -","- C256 H216 N24 O32 -","8","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0886","0.0649","","","0.1149","0.1202","","","","","","1.263","","","","has coordinates","241795","2020-10-21","18:00:00",""
"4131620","13.738","0.003","7.521","0.002","8.434","0.002","90","0.03","102.4","0.03","90","0.03","851.1","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Postphoto_azaindoline","","","- C22 H16 N4 O2 -","- C22 H16 N4 O2 -","- C44 H32 N8 O4 -","2","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0941","0.0918","","","0.2629","0.2635","","","","","","1.399","","","","has coordinates","241796","2020-10-21","18:00:00",""
"4131621","12.0069","0.0002","13.087","0.0002","21.3835","0.0003","90","","90","","90","","3360.08","0.09","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C160 H160 N16 O32 -","8","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0685","0.0575","","","0.1511","0.1618","","","","","","1.027","","","","has coordinates","241797","2020-10-21","18:00:00",""
"4131622","10.2794","0.001","15.4093","0.0015","11.6753","0.0011","90","","96.905","0.001","90","","1835.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N2 O4 -","- C23 H18 N2 O4 -","- C92 H72 N8 O16 -","4","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0629","0.0476","","","0.0993","0.1084","","","","","","1.087","","","","has coordinates","241798","2020-10-21","18:00:00",""
"4131623","15.766","0.0011","5.5591","0.0003","16.8685","0.0012","90","","112.202","0.002","90","","1368.82","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 F3 O2 -","- C16 H13 F3 O2 -","- C64 H52 F12 O8 -","4","1","","Gaydou, Morgane; Moragas, Toni; Juliá-Hernández, Francisco; Martin, Ruben","Site-Selective Catalytic Carboxylation of Unsaturated Hydrocarbons with CO<sub>2</sub> and Water.","Journal of the American Chemical Society","2017","139","35","12161","12164","10.1021/jacs.7b07637","","","0.71073","MoKα","","0.0804","0.0522","","","0.1336","0.1498","","","","","","1.049","","","","has coordinates,has disorder","241799","2020-10-21","18:00:00",""
"4131624","28.1211","0.0009","28.1211","0.0009","30.4311","0.0013","90","","90","","120","","20840.7","1.3","223.01","0.1","223.01","0.1","","","","","","","","3","R 3 :H","R 3","146","6M-1","","","- C228 H216 N32 -","- C228 H216 N32 -","- C684 H648 N96 -","3","0.333333","","Qu, Hang; Wang, Yu; Li, Zhihao; Wang, Xinchang; Fang, Hongxun; Tian, Zhongqun; Cao, Xiaoyu","Molecular Face-Rotating Cube with Emergent Chiral and Fluorescence Properties.","Journal of the American Chemical Society","2017","139","50","18142","18145","10.1021/jacs.7b07657","","x-ray","1.54184","CuKα","","0.0822","0.0569","","","0.1529","0.1762","","","","","","0.965","","","","has coordinates","241800","2020-10-21","18:00:00",""
"4131625","29.0242","0.0009","29.0242","0.0009","30.6505","0.0011","90","","90","","120","","22360.9","1.3","223","0.1","223","0.1","","","","","","","","3","R 3 :H","R 3","146","6P-1","","","- C228 H216 N32 -","- C228 H216 N32 -","- C684 H648 N96 -","3","0.333333","","Qu, Hang; Wang, Yu; Li, Zhihao; Wang, Xinchang; Fang, Hongxun; Tian, Zhongqun; Cao, Xiaoyu","Molecular Face-Rotating Cube with Emergent Chiral and Fluorescence Properties.","Journal of the American Chemical Society","2017","139","50","18142","18145","10.1021/jacs.7b07657","","x-ray","1.54184","CuKα","","0.1044","0.0577","","","0.1463","0.1796","","","","","","0.903","","","","has coordinates","241801","2020-10-21","18:00:00",""
"4131626","35.7068","0.0006","35.7068","0.0006","22.6261","0.0004","90","","90","","120","","24982.9","0.7","150","0.1","150","0.1","","","","","","","","3","P 64 2 2","P 64 2 (0 0 2)","181","2P4M-2","","","- C228 H216 N32 -","- C228 H216 N32 -","- C684 H648 N96 -","3","0.25","","Qu, Hang; Wang, Yu; Li, Zhihao; Wang, Xinchang; Fang, Hongxun; Tian, Zhongqun; Cao, Xiaoyu","Molecular Face-Rotating Cube with Emergent Chiral and Fluorescence Properties.","Journal of the American Chemical Society","2017","139","50","18142","18145","10.1021/jacs.7b07657","","x-ray","1.54184","CuKα","","0.0797","0.0548","","","0.1468","0.1676","","","","","","0.941","","","","has coordinates","241802","2020-10-21","18:00:00",""
"4131627","35.6733","0.002","35.6733","0.002","22.6222","0.0016","90","","90","","120","","24932","3","150","0.1","150","0.1","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","4P2M-2","","","- C228 H216 N32 -","- C228 H216 N32 -","- C684 H648 N96 -","3","0.25","","Qu, Hang; Wang, Yu; Li, Zhihao; Wang, Xinchang; Fang, Hongxun; Tian, Zhongqun; Cao, Xiaoyu","Molecular Face-Rotating Cube with Emergent Chiral and Fluorescence Properties.","Journal of the American Chemical Society","2017","139","50","18142","18145","10.1021/jacs.7b07657","","x-ray","1.54184","CuKα","","0.1179","0.0597","","","0.1404","0.1731","","","","","","0.887","","","","has coordinates","241803","2020-10-21","18:00:00",""
"4131628","11.3187","0.0003","12.1229","0.0003","14.6266","0.0004","85.2769","0.0014","75.3317","0.0014","75.787","0.0014","1881.72","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","KJB-IV-287","","","- C19 H25 N3 O4 -","- C19 H25 N3 O4 -","- C76 H100 N12 O16 -","4","2","","Hendrick, Charles E.; Bitting, Katie J.; Cho, Seoyoung; Wang, Qiu","Site-Selective Copper-Catalyzed Amination and Azidation of Arenes and Heteroarenes via Deprotonative Zincation.","Journal of the American Chemical Society","2017","139","33","11622","11628","10.1021/jacs.7b07661","","","0.71073","MoKα","","0.0575","0.0381","","","0.0919","0.1019","","","","","","1.014","","","","has coordinates","241804","2020-10-21","18:00:00",""
"4131629","6.411","0.003","15.344","0.007","27.897","0.013","90","","96.217","0.007","90","","2728","2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 N2 O Pd -","- C26 H40 N2 O Pd -","- C104 H160 N8 O4 Pd4 -","4","1","","Okumura, Shintaro; Sun, Fangzhu; Ishida, Naoki; Murakami, Masahiro","Palladium-Catalyzed Intermolecular Exchange between C-C and C-Si σ-Bonds.","Journal of the American Chemical Society","2017","139","36","12414","12417","10.1021/jacs.7b07667","","","0.71075","MoKα","","0.1546","0.0843","","","0.1729","0.2104","","","","","","1.014","","","","has coordinates","241805","2020-10-21","18:00:00",""
"4131630","9.8592","0.0005","10.2085","0.0006","10.9817","0.0007","64.914","0.002","78.901","0.002","65.914","0.0014","913.61","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 O Si -","- C23 H22 O Si -","- C46 H44 O2 Si2 -","2","1","","Okumura, Shintaro; Sun, Fangzhu; Ishida, Naoki; Murakami, Masahiro","Palladium-Catalyzed Intermolecular Exchange between C-C and C-Si σ-Bonds.","Journal of the American Chemical Society","2017","139","36","12414","12417","10.1021/jacs.7b07667","","","0.71075","MoKα","","0.0564","0.0426","","","0.1264","0.1687","","","","","","1.102","","","","has coordinates","241806","2020-10-21","18:00:00",""
"4131631","10.0649","0.0007","17.7723","0.0012","17.206","0.0012","90","","98.0448","0.0015","90","","3047.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","LC7","","","- C36 H49 Cl F P Pd -","- C36 H49 Cl F P Pd -","- C144 H196 Cl4 F4 P4 Pd4 -","4","1","","Chen, Liye; Sanchez, Daniel R.; Zhang, Bufan; Carrow, Brad P.","""Cationic"" Suzuki-Miyaura Coupling with Acutely Base-Sensitive Boronic Acids.","Journal of the American Chemical Society","2017","139","36","12418","12421","10.1021/jacs.7b07687","","","0.71073","MoKα","","0.0433","0.0323","","","0.0815","0.0855","","","","","","1.074","","","","has coordinates","241807","2020-10-21","18:00:00",""
"4131632","7.086","0.0005","16.5585","0.001","32.23","0.002","90","","90","","90","","3781.7","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","SKI-138C","sarpong86","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C176 H232 N8 O32 -","8","1","","Kou, Kevin G. M.; Kulyk, Svitlana; Marth, Christopher J.; Lee, Jack C.; Doering, Nicolle A.; Li, Beryl X.; Gallego, Gary M.; Lebold, Terry P.; Sarpong, Richmond","A Unifying Synthesis Approach to the C<sub>18</sub>-, C<sub>19</sub>-, and C<sub>20</sub>-Diterpenoid Alkaloids.","Journal of the American Chemical Society","2017","139","39","13882","13896","10.1021/jacs.7b07706","","","1.54178","CuKα","","0.0937","0.0784","","","0.2156","0.2289","","","","","","1.032","","","","has coordinates","241808","2020-10-21","18:00:00",""
"4131633","11.9228","0.0011","18.502","0.0017","8.6469","0.0008","90","","94.417","0.003","90","","1901.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","kk4_124_4","","","- C22 H29 N O5 -","- C22 H29 N O5 -","- C88 H116 N4 O20 -","4","1","","Kou, Kevin G. M.; Kulyk, Svitlana; Marth, Christopher J.; Lee, Jack C.; Doering, Nicolle A.; Li, Beryl X.; Gallego, Gary M.; Lebold, Terry P.; Sarpong, Richmond","A Unifying Synthesis Approach to the C<sub>18</sub>-, C<sub>19</sub>-, and C<sub>20</sub>-Diterpenoid Alkaloids.","Journal of the American Chemical Society","2017","139","39","13882","13896","10.1021/jacs.7b07706","","","1.54178","CuKα","","0.0359","0.0348","","","0.0897","0.0907","","","","","","1.031","","","","has coordinates","241809","2020-10-21","18:00:00",""
"4131634","8.3725","0.0004","9.6019","0.0004","13.9337","0.0006","96.521","0.002","102.919","0.002","104.785","0.002","1038.21","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","KK2-194-2","sarpong126","","- C24 H33 N O5 -","- C24 H33 N O5 -","- C48 H66 N2 O10 -","2","1","","Kou, Kevin G. M.; Kulyk, Svitlana; Marth, Christopher J.; Lee, Jack C.; Doering, Nicolle A.; Li, Beryl X.; Gallego, Gary M.; Lebold, Terry P.; Sarpong, Richmond","A Unifying Synthesis Approach to the C<sub>18</sub>-, C<sub>19</sub>-, and C<sub>20</sub>-Diterpenoid Alkaloids.","Journal of the American Chemical Society","2017","139","39","13882","13896","10.1021/jacs.7b07706","","","1.54178","CuKα","","0.0401","0.0347","","","0.0856","0.0895","","","","","","1.035","","","","has coordinates","241810","2020-10-21","18:00:00",""
"4131635","7.8766","0.0006","8.5007","0.0007","14.5992","0.0012","97.716","0.004","92.753","0.004","101.587","0.004","946.09","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H29 N O5 -","- C22 H29 N O5 -","- C44 H58 N2 O10 -","2","1","","Kou, Kevin G. M.; Kulyk, Svitlana; Marth, Christopher J.; Lee, Jack C.; Doering, Nicolle A.; Li, Beryl X.; Gallego, Gary M.; Lebold, Terry P.; Sarpong, Richmond","A Unifying Synthesis Approach to the C<sub>18</sub>-, C<sub>19</sub>-, and C<sub>20</sub>-Diterpenoid Alkaloids.","Journal of the American Chemical Society","2017","139","39","13882","13896","10.1021/jacs.7b07706","","","0.71073","MoKα","","0.047","0.0403","","","0.1112","0.1139","","","","","","1.143","","","","has coordinates","241811","2020-10-21","18:00:00",""
"4131636","8.7054","0.0003","9.5129","0.0003","11.7668","0.0004","79.413","0.001","88.049","0.001","78.959","0.001","940.13","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","kk4_61_3","","","- C44 H58 N2 O10 -","- C44 H58 N2 O10 -","- C44 H58 N2 O10 -","1","0.5","","Kou, Kevin G. M.; Kulyk, Svitlana; Marth, Christopher J.; Lee, Jack C.; Doering, Nicolle A.; Li, Beryl X.; Gallego, Gary M.; Lebold, Terry P.; Sarpong, Richmond","A Unifying Synthesis Approach to the C<sub>18</sub>-, C<sub>19</sub>-, and C<sub>20</sub>-Diterpenoid Alkaloids.","Journal of the American Chemical Society","2017","139","39","13882","13896","10.1021/jacs.7b07706","","","1.54178","CuKα","","0.0372","0.036","","","0.0939","0.095","","","","","","1.043","","","","has coordinates","241812","2020-10-21","18:00:00",""
"4131637","10.1894","0.0004","14.3413","0.0005","14.4462","0.0005","69.53","0.002","89.57","0.002","78.333","0.002","1932.25","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","SKI-138D1","sarpong85","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C88 H116 N4 O16 -","4","2","","Kou, Kevin G. M.; Kulyk, Svitlana; Marth, Christopher J.; Lee, Jack C.; Doering, Nicolle A.; Li, Beryl X.; Gallego, Gary M.; Lebold, Terry P.; Sarpong, Richmond","A Unifying Synthesis Approach to the C<sub>18</sub>-, C<sub>19</sub>-, and C<sub>20</sub>-Diterpenoid Alkaloids.","Journal of the American Chemical Society","2017","139","39","13882","13896","10.1021/jacs.7b07706","","","1.54178","CuKα","","0.0865","0.0682","","","0.1896","0.2049","","","","","","1.041","","","","has coordinates","241813","2020-10-21","18:00:00",""
"4131638","27.518","0.004","9.3225","0.0013","19.913","0.003","90","","109.766","0.001","90","","4807.4","1.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Sb2 Si8 -","- C32 H72 Sb2 Si8 -","- C128 H288 Sb8 Si32 -","4","1","","Lee, Vladimir Ya; Ota, Kei; Ito, Yuki; Gapurenko, Olga A.; Sekiguchi, Akira; Minyaev, Ruslan M.; Minkin, Vladimir I.; Gornitzka, Heinz","Bis(stibahousene).","Journal of the American Chemical Society","2017","139","39","13897","13902","10.1021/jacs.7b07712","","","0.71073","MoKα","","0.0418","0.0413","","","0.0943","0.0945","","","","","","1.296","","","","has coordinates","241814","2020-10-21","18:00:00",""
"4131639","11.598","0.005","15.124","0.006","17.221","0.007","103.792","0.004","90.529","0.004","105.736","0.004","2815","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34.5 H78 F8 Sb4 Si8 -","- C34.5 H78 F8 Sb4 Si8 -","- C69 H156 F16 Sb8 Si16 -","2","1","","Lee, Vladimir Ya; Ota, Kei; Ito, Yuki; Gapurenko, Olga A.; Sekiguchi, Akira; Minyaev, Ruslan M.; Minkin, Vladimir I.; Gornitzka, Heinz","Bis(stibahousene).","Journal of the American Chemical Society","2017","139","39","13897","13902","10.1021/jacs.7b07712","","","0.71073","MoKα","","0.0995","0.0721","","","0.1662","0.1802","","","","","","1.119","","","","has coordinates,has disorder","241815","2020-10-21","18:00:00",""
"4131640","16.461","0.003","12.567","0.002","12.991","0.002","90","","99.176","0.011","90","","2653","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N4 O11 -","- C29 H22 N4 O11 -","- C116 H88 N16 O44 -","4","1","","Good, Steffen N.; Sharpe, Robert J.; Johnson, Jeffrey S.","Highly Functionalized Tricyclic Oxazinanones via Pairwise Oxidative Dearomatization and N-Hydroxycarbamate Dehydrogenation: Molecular Diversity Inspired by Tetrodotoxin.","Journal of the American Chemical Society","2017","139","36","12422","12425","10.1021/jacs.7b07745","","","1.54178","CuKα","","0.0711","0.0439","","","0.0972","0.1092","","","","","","1.022","","","","has coordinates","241816","2020-10-21","18:00:00",""
"4131641","11.222","0.0005","11.5293","0.0006","13.0311","0.0007","75.367","0.003","64.51","0.002","72.713","0.002","1437.83","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C56 H76 N4 O20 -","4","2","","Good, Steffen N.; Sharpe, Robert J.; Johnson, Jeffrey S.","Highly Functionalized Tricyclic Oxazinanones via Pairwise Oxidative Dearomatization and N-Hydroxycarbamate Dehydrogenation: Molecular Diversity Inspired by Tetrodotoxin.","Journal of the American Chemical Society","2017","139","36","12422","12425","10.1021/jacs.7b07745","","","1.54178","CuKα","","0.0548","0.0486","","","0.137","0.1413","","","","","","1.168","","","","has coordinates,has disorder","241817","2020-10-21","18:00:00",""
"4131642","8.7035","0.0018","8.1115","0.0019","21.516","0.005","90","","98.492","0.015","90","","1502.3","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H37 N O9 Si -","- C33 H37 N O9 Si -","- C66 H74 N2 O18 Si2 -","2","1","","Good, Steffen N.; Sharpe, Robert J.; Johnson, Jeffrey S.","Highly Functionalized Tricyclic Oxazinanones via Pairwise Oxidative Dearomatization and N-Hydroxycarbamate Dehydrogenation: Molecular Diversity Inspired by Tetrodotoxin.","Journal of the American Chemical Society","2017","139","36","12422","12425","10.1021/jacs.7b07745","","","1.54178","CuKα","","0.0325","0.0295","","","0.0682","0.0698","","","","","","1.063","","","","has coordinates","241818","2020-10-21","18:00:00",""
"4131643","9.9577","0.0006","9.9793","0.0007","16.4948","0.001","78.033","0.003","88.852","0.003","69.725","0.003","1501.73","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H35 N O7 Si -","- C33 H35 N O7 Si -","- C66 H70 N2 O14 Si2 -","2","1","","Good, Steffen N.; Sharpe, Robert J.; Johnson, Jeffrey S.","Highly Functionalized Tricyclic Oxazinanones via Pairwise Oxidative Dearomatization and N-Hydroxycarbamate Dehydrogenation: Molecular Diversity Inspired by Tetrodotoxin.","Journal of the American Chemical Society","2017","139","36","12422","12425","10.1021/jacs.7b07745","","","1.54178","CuKα","","0.042","0.0369","","","0.0926","0.0961","","","","","","1.027","","","","has coordinates","241819","2020-10-21","18:00:00",""
"4131644","6.4757","0.0002","17.3858","0.0005","12.233","0.0004","90","","98.468","0.002","90","","1362.24","0.07","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Cl N O5 -","- C15 H12 Cl N O5 -","- C60 H48 Cl4 N4 O20 -","4","1","","Good, Steffen N.; Sharpe, Robert J.; Johnson, Jeffrey S.","Highly Functionalized Tricyclic Oxazinanones via Pairwise Oxidative Dearomatization and N-Hydroxycarbamate Dehydrogenation: Molecular Diversity Inspired by Tetrodotoxin.","Journal of the American Chemical Society","2017","139","36","12422","12425","10.1021/jacs.7b07745","","","1.54178","CuKα","","0.0402","0.0345","","","0.0863","0.0898","","","","","","1.037","","","","has coordinates","241820","2020-10-21","18:00:00",""
"4131645","8.4426","0.0007","9.5333","0.0007","11.9143","0.0009","79.721","0.001","86.353","0.001","71.283","0.001","893.62","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 Br2 O2 -","- C18 H26 Br2 O2 -","- C36 H52 Br4 O4 -","2","1","","Burckle, Alexander J.; Gál, Bálint; Seidl, Frederick J.; Vasilev, Vasil H.; Burns, Noah Z.","Enantiospecific Solvolytic Functionalization of Bromochlorides.","Journal of the American Chemical Society","2017","139","38","13562","13569","10.1021/jacs.7b07792","","","0.71073","MoKα","","0.0372","0.0287","","","0.0703","0.0734","","","","","","1.083","","","","has coordinates","241821","2020-10-21","18:00:00",""
"4131646","14.102","0.004","26.662","0.007","16.337","0.004","90","","105.559","0.004","90","","5917","3","130","2","130","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H78 F6 Fe N4 O6 S2 Si3 -","- C47 H78 F6 Fe N4 O6 S2 Si3 -","- C188 H312 F24 Fe4 N16 O24 S8 Si12 -","4","1","","Borrell, Margarida; Costas, Miquel","Mechanistically Driven Development of an Iron Catalyst for Selective Syn-Dihydroxylation of Alkenes with Aqueous Hydrogen Peroxide.","Journal of the American Chemical Society","2017","139","36","12821","12829","10.1021/jacs.7b07909","","","0.71073","MoKα","","0.1033","0.0537","","","0.1194","0.1406","","","","","","1.024","","","","has coordinates,has disorder","241822","2020-10-21","18:00:00",""
"4131647","29.9444","0.0006","29.9444","0.0006","29.9444","0.0006","90","","90","","90","","26850.2","0.9","290","2","290","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C64 H50 N O14.5 Zn4 -","- C64 H50 N O14.5 Zn4 -","- C384 H300 N6 O87 Zn24 -","6","0.25","","Liu, Lujia; Zhou, Tian-You; Telfer, Shane G.","Modulating the Performance of an Asymmetric Organocatalyst by Tuning Its Spatial Environment in a Metal-Organic Framework.","Journal of the American Chemical Society","2017","139","39","13936","13943","10.1021/jacs.7b07921","","","1.54178","CuKα","","0.0795","0.0681","","","0.1865","0.1946","","","","","","1.07","","","","has coordinates,has disorder","241823","2020-10-21","18:00:00",""
"4131648","29.9461","0.0003","29.9461","0.0003","29.9461","0.0003","90","","90","","90","","26854.7","0.5","291","2","291","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C61.5 H46 N O13.5 Zn4 -","- C61.5 H46 N O13.5 Zn4 -","- C369 H276 N6 O81 Zn24 -","6","0.25","","Liu, Lujia; Zhou, Tian-You; Telfer, Shane G.","Modulating the Performance of an Asymmetric Organocatalyst by Tuning Its Spatial Environment in a Metal-Organic Framework.","Journal of the American Chemical Society","2017","139","39","13936","13943","10.1021/jacs.7b07921","","","1.54178","CuKα","","0.0414","0.0372","","","0.1034","0.117","","","","","","1.083","","","","has coordinates,has disorder","241823","2020-10-21","18:00:00",""
"4131649","29.9603","0.0003","29.9603","0.0003","29.9603","0.0003","90","","90","","90","","26893","0.5","293","2","293","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C61.5 H46 N O13.5 Zn4 -","- C61.5 H46 N O13.5 Zn4 -","- C369 H276 N6 O81 Zn24 -","6","0.25","","Liu, Lujia; Zhou, Tian-You; Telfer, Shane G.","Modulating the Performance of an Asymmetric Organocatalyst by Tuning Its Spatial Environment in a Metal-Organic Framework.","Journal of the American Chemical Society","2017","139","39","13936","13943","10.1021/jacs.7b07921","","","1.54178","CuKα","","0.0395","0.0364","","","0.1615","0.1649","","","","","","1.409","","","","has coordinates,has disorder","241823","2020-10-21","18:00:00",""
"4131650","9.8347","0.0006","10.9173","0.0007","13.2494","0.0008","100.003","0.002","96.765","0.002","104.964","0.002","1333.51","0.14","301","2","301.44","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H39 Cu F9 N -","- C20 H39 Cu F9 N -","- C40 H78 Cu2 F18 N2 -","2","1","","Tan, Xinqiang; Liu, Zhonglin; Shen, Haigen; Zhang, Pei; Zhang, Zhenzhen; Li, Chaozhong","Silver-Catalyzed Decarboxylative Trifluoromethylation of Aliphatic Carboxylic Acids.","Journal of the American Chemical Society","2017","139","36","12430","12433","10.1021/jacs.7b07944","","","0.71073","MoKα","","0.1292","0.0981","","","0.2594","0.3027","","","","","","1.046","","","","has coordinates","241824","2020-10-21","18:00:00",""
"4131651","12.318","0.002","17.125","0.004","25.001","0.005","90","","93.745","0.004","90","","5262.6","1.8","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 O Si -","- C30 H36 O Si -","- C240 H288 O8 Si8 -","8","2","","Minami, Yasunori; Noguchi, Yuta; Hiyama, Tamejiro","Synthesis of Benzosiloles by Intramolecular anti-Hydroarylation via ortho-C-H Activation of Aryloxyethynyl Silanes.","Journal of the American Chemical Society","2017","139","40","14013","14016","10.1021/jacs.7b08055","","","0.71075","MoKα","","0.1247","0.0986","","","0.2185","0.2367","","","","","","1.18","","","","has coordinates","241825","2020-10-21","18:00:00",""
"4131652","10.303","0.0004","31.7889","0.0011","8.0404","0.0003","90","","102.747","0.004","90","","2568.5","0.17","93","2","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 O Si -","- C30 H38 O Si -","- C120 H152 O4 Si4 -","4","1","","Minami, Yasunori; Noguchi, Yuta; Hiyama, Tamejiro","Synthesis of Benzosiloles by Intramolecular anti-Hydroarylation via ortho-C-H Activation of Aryloxyethynyl Silanes.","Journal of the American Chemical Society","2017","139","40","14013","14016","10.1021/jacs.7b08055","","","0.71073","MoKα","","0.0787","0.0645","","","0.1698","0.182","","","","","","1.144","","","","has coordinates","241826","2020-10-21","18:00:00",""
"4131653","25.01","0.002","28.505","0.003","38.129","0.003","104.196","0.004","101.863","0.004","91.09","0.005","25720","4","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C192 H926 K3 Mo154 Na15 O979 P2 W18 -","- C192 Mo154 Na1.5 O754 P2 W18 -","- C192 Mo154 Na1.5 O754 P2 W18 -","1","0.5","","Moussawi, Mhamad Aly; Haouas, Mohamed; Floquet, Sébastien; Shepard, William E.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.; Cordier, Stéphane; Ponchel, Anne; Monflier, Eric; Marrot, Jérôme; Cadot, Emmanuel","Nonconventional Three-Component Hierarchical Host-Guest Assembly Based on Mo-Blue Ring-Shaped Giant Anion, γ-Cyclodextrin, and Dawson-type Polyoxometalate.","Journal of the American Chemical Society","2017","139","41","14376","14379","10.1021/jacs.7b08058","","","0.71073","MoKα","","0.2469","0.172","","","0.4198","0.4778","","","","","","1.093","","","","has coordinates,has disorder","241827","2020-10-21","18:00:00",""
"4131654","13.2054","0.0005","13.0747","0.0004","14.3114","0.0005","90","","107.608","0.004","90","","2355.19","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H68 B2 F4 N4 -","- C54 H68 B2 F4 N4 -","- C108 H136 B4 F8 N8 -","2","0.5","","Patalag, Lukas J.; Ho, Luong Phong; Jones, Peter G.; Werz, Daniel B.","Ethylene-Bridged Oligo-BODIPYs: Access to Intramolecular J-Aggregates and Superfluorophores.","Journal of the American Chemical Society","2017","139","42","15104","15113","10.1021/jacs.7b08176","","","0.71073","MoKα","","0.0565","0.0419","","","0.1038","0.1127","","","","","","1.019","","","","has coordinates,has disorder","241828","2020-10-21","18:00:00",""
"4131655","7.5627","0.0004","10.9924","0.0006","11.4757","0.0006","71.452","0.005","79.688","0.004","78.015","0.005","878.15","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H44 B2 F4 N4 -","- C42 H44 B2 F4 N4 -","- C42 H44 B2 F4 N4 -","1","0.5","","Patalag, Lukas J.; Ho, Luong Phong; Jones, Peter G.; Werz, Daniel B.","Ethylene-Bridged Oligo-BODIPYs: Access to Intramolecular J-Aggregates and Superfluorophores.","Journal of the American Chemical Society","2017","139","42","15104","15113","10.1021/jacs.7b08176","","","1.54184","CuKα","","0.0408","0.0386","","","0.1042","0.1068","","","","","","1.044","","","","has coordinates","241829","2020-10-21","18:00:00",""
"4131656","13.30119","0.00018","8.21083","0.00014","22.2419","0.0003","90","","100.203","0.0014","90","","2390.71","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 B2 Cl6 F4 N4 -","- C48 H54 B2 Cl6 F4 N4 -","- C96 H108 B4 Cl12 F8 N8 -","2","0.5","","Patalag, Lukas J.; Ho, Luong Phong; Jones, Peter G.; Werz, Daniel B.","Ethylene-Bridged Oligo-BODIPYs: Access to Intramolecular J-Aggregates and Superfluorophores.","Journal of the American Chemical Society","2017","139","42","15104","15113","10.1021/jacs.7b08176","","","1.54184","CuKα","","0.0479","0.0445","","","0.1257","0.1293","","","","","","1.036","","","","has coordinates","241830","2020-10-21","18:00:00",""
"4131657","7.701","0.0002","5.6589","0.0001","18.674","0.0004","90","","92.703","0.001","90","","812.89","0.03","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C36 H40 O8 -","2","1","","Zhang, Kai; Lu, Liang-Qiu; Yao, Sheng; Chen, Jia-Rong; Shi, De-Qing; Xiao, Wen-Jing","Enantioconvergent Copper Catalysis: In Situ Generation of the Chiral Phosphorus Ylide and Its Wittig Reactions.","Journal of the American Chemical Society","2017","139","36","12847","12854","10.1021/jacs.7b08207","","","1.54178","CuKα","","0.0711","0.07","","","0.17","0.1723","","","","","","1.069","","","","has coordinates","241831","2020-10-21","18:00:00",""
"4131658","6.2723","0.0001","16.0553","0.0003","16.2734","0.0003","90","","90","","90","","1638.79","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 O2 -","- C19 H21 O2 -","- C76 H84 O8 -","4","1","","Zhang, Kai; Lu, Liang-Qiu; Yao, Sheng; Chen, Jia-Rong; Shi, De-Qing; Xiao, Wen-Jing","Enantioconvergent Copper Catalysis: In Situ Generation of the Chiral Phosphorus Ylide and Its Wittig Reactions.","Journal of the American Chemical Society","2017","139","36","12847","12854","10.1021/jacs.7b08207","","","1.54178","CuKα","","0.0371","0.036","","","0.1038","0.105","","","","","","1.054","","","","has coordinates","241832","2020-10-21","18:00:00",""
"4131659","22.541","0.002","28.224","0.003","11.1173","0.0011","90","","90","","90","","7072.8","1.2","296.15","0.1","296.15","0.1","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C52.5 H60 B4 Cl Cu4 F16 N12 O16 -","- C52.5 H60 B4 Cl Cu4 F16 N12 O16 -","- C210 H240 B16 Cl4 Cu16 F64 N48 O64 -","4","1","","Zhang, Kai; Lu, Liang-Qiu; Yao, Sheng; Chen, Jia-Rong; Shi, De-Qing; Xiao, Wen-Jing","Enantioconvergent Copper Catalysis: In Situ Generation of the Chiral Phosphorus Ylide and Its Wittig Reactions.","Journal of the American Chemical Society","2017","139","36","12847","12854","10.1021/jacs.7b08207","","","0.71073","MoKα","","0.1374","0.0816","","","0.2244","0.2671","","","","","","1.02","","","","has coordinates,has disorder","241833","2020-10-21","18:00:00",""
"4131660","9.6412","0.0003","11.9525","0.0004","13.9387","0.0004","83","0.003","73.214","0.002","71.465","0.002","1457.24","0.08","250","2","250.03","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H43 F24 N5 P4 -","- C50 H43 F24 N5 P4 -","- C50 H43 F24 N5 P4 -","1","0.5","","Wu, Yilei; Zhou, Jiawang; Phelan, Brian T.; Mauck, Catherine M.; Stoddart, J. Fraser; Young, Ryan M.; Wasielewski, Michael R.","Probing Distance Dependent Charge-Transfer Character in Excimers of Extended Viologen Cyclophanes Using Femtosecond Vibrational Spectroscopy.","Journal of the American Chemical Society","2017","139","40","14265","14276","10.1021/jacs.7b08275","","","1.54178","CuKα","","0.1093","0.0968","","","0.313","0.3339","","","","","","1.437","","","","has coordinates,has disorder","241834","2020-10-21","18:00:00",""
"4131661","7.3123","0.0002","12.901","0.0003","19.3466","0.0005","88.7203","0.0015","89.3061","0.0017","88.8464","0.0016","1824.13","0.08","100","2","99.93","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H58 F24 N10 P4 -","- C60 H58 F24 N10 P4 -","- C60 H58 F24 N10 P4 -","1","0.5","","Wu, Yilei; Zhou, Jiawang; Phelan, Brian T.; Mauck, Catherine M.; Stoddart, J. Fraser; Young, Ryan M.; Wasielewski, Michael R.","Probing Distance Dependent Charge-Transfer Character in Excimers of Extended Viologen Cyclophanes Using Femtosecond Vibrational Spectroscopy.","Journal of the American Chemical Society","2017","139","40","14265","14276","10.1021/jacs.7b08275","","","1.54178","CuKα","","0.0642","0.0534","","","0.1356","0.1415","","","","","","1.056","","","","has coordinates,has disorder","241835","2020-10-21","18:00:00",""
"4131662","12.6861","0.0015","14.7681","0.0018","13.3305","0.0015","90","","108.111","0.005","90","","2373.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 Br Mn N2 O2 P -","- C21 H35 Br Mn N2 O2 P -","- C84 H140 Br4 Mn4 N8 O8 P4 -","4","1","","Espinosa-Jalapa, Noel Angel; Kumar, Amit; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David","Synthesis of Cyclic Imides by Acceptorless Dehydrogenative Coupling of Diols and Amines Catalyzed by a Manganese Pincer Complex.","Journal of the American Chemical Society","2017","139","34","11722","11725","10.1021/jacs.7b08341","","","0.71073","MoKα","","0.0454","0.0329","","","0.0657","0.0695","","","","","","1.042","","","","has coordinates,has disorder","241836","2020-10-21","18:00:00",""
"4131663","14.1304","0.0015","14.4105","0.0014","11.1726","0.0012","90","","96.228","0.003","90","","2261.6","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H34 Mn N2 O2 P -","- C21 H34 Mn N2 O2 P -","- C84 H136 Mn4 N8 O8 P4 -","4","1","","Espinosa-Jalapa, Noel Angel; Kumar, Amit; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David","Synthesis of Cyclic Imides by Acceptorless Dehydrogenative Coupling of Diols and Amines Catalyzed by a Manganese Pincer Complex.","Journal of the American Chemical Society","2017","139","34","11722","11725","10.1021/jacs.7b08341","","","0.71073","MoKα","","0.0469","0.0367","","","0.0732","0.0777","","","","","","1.012","","","","has coordinates","241836","2020-10-21","18:00:00",""
"4131664","44.055","0.006","44.055","0.006","18.729","0.004","90","","90","","120","","31480","9","298","2","298","2","","","","","","","","5","P 63","P 6c","173","ST-1","ST-1","","- C40 H24 N8 O13 Zn4 -","- C40 H24 N8 O13 Zn4 -","- C240 H144 N48 O78 Zn24 -","6","1","","Liang, Cong-Cong; Shi, Zhao-Lin; He, Chun-Ting; Tan, Jing; Zhou, Hu-Die; Zhou, Hao-Long; Lee, Yongjin; Zhang, Yue-Biao","Engineering of Pore Geometry for Ultrahigh Capacity Methane Storage in Mesoporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","38","13300","13303","10.1021/jacs.7b08347","","","0.82653","synchrotron","","0.049","0.0462","","","0.1468","0.1552","","","","","","1.055","","","","has coordinates","241837","2020-10-21","18:00:00",""
"4131665","44.192","0.006","44.192","0.006","54.961","0.011","90","","90","","120","","92955","3","298.15","","298.15","","","","","","","","","5","P 63/m","-P 6c","176","","","","- C132 H78 N24 O39 Zn12 -","- C133 H78 N21 O39 Zn12 -","- C798 H468 N126 O234 Zn72 -","6","0.5","","Liang, Cong-Cong; Shi, Zhao-Lin; He, Chun-Ting; Tan, Jing; Zhou, Hu-Die; Zhou, Hao-Long; Lee, Yongjin; Zhang, Yue-Biao","Engineering of Pore Geometry for Ultrahigh Capacity Methane Storage in Mesoporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","38","13300","13303","10.1021/jacs.7b08347","","","0.7293","","","0.1208","0.1108","","","0.3684","0.39","","","","","","1.778","","","","has coordinates,has disorder","241838","2020-10-21","18:00:00",""
"4131666","30.926","0.004","30.926","0.004","35.157","0.007","90","","90","","90","","33625","9","298","2","298","2","","","","","","","","5","P -4 2 c","P -4 2c","112","ST-3","ST-3","","- C44 H26.67 N8 O13 Zn4 -","- C44 H26.6667 N8 O13 Zn4 -","- C264 H160 N48 O78 Zn24 -","6","0.75","","Liang, Cong-Cong; Shi, Zhao-Lin; He, Chun-Ting; Tan, Jing; Zhou, Hu-Die; Zhou, Hao-Long; Lee, Yongjin; Zhang, Yue-Biao","Engineering of Pore Geometry for Ultrahigh Capacity Methane Storage in Mesoporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","38","13300","13303","10.1021/jacs.7b08347","","","0.82651","Synchrotron","","0.0462","0.0382","","","0.1183","0.128","","","","","","1.005","","","","has coordinates","241839","2020-10-21","18:00:00",""
"4131667","77.569","0.009","77.569","0.009","77.569","0.009","90","","90","","90","","466729","9","298","2","298","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","","","","- C228 H138 N36 O65 Zn20 -","- C228 H138 N36 O65 Zn20 -","- C3648 H2208 N576 O1040 Zn320 -","16","0.166667","","Liang, Cong-Cong; Shi, Zhao-Lin; He, Chun-Ting; Tan, Jing; Zhou, Hu-Die; Zhou, Hao-Long; Lee, Yongjin; Zhang, Yue-Biao","Engineering of Pore Geometry for Ultrahigh Capacity Methane Storage in Mesoporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","38","13300","13303","10.1021/jacs.7b08347","","","0.8265","","","0.0572","0.0345","","","0.0817","0.0901","","","","","","0.966","","","","has coordinates,has disorder","241840","2020-10-21","18:00:00",""
"4131668","30.559","0.0009","7.1819","0.0002","26.4061","0.0009","90","","103.31","0.002","90","","5639.7","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N3 O4 Pd -","- C24 H19 N3 O4 Pd -","- C192 H152 N24 O32 Pd8 -","8","1","","O'Duill, Miriam L; Matsuura, Rei; Wang, Yanyan; Turnbull, Joshua L.; Gurak, Jr, John A; Gao, De-Wei; Lu, Gang; Liu, Peng; Engle, Keary M.","Tridentate Directing Groups Stabilize 6-Membered Palladacycles in Catalytic Alkene Hydrofunctionalization.","Journal of the American Chemical Society","2017","139","44","15576","15579","10.1021/jacs.7b08383","","x-ray","0.71073","MoKα","K-L~3~","0.0424","0.0377","","","0.0901","0.0929","","","","","","1.132","","","","has coordinates","241841","2020-10-21","18:00:00",""
"4131669","8.1556","0.0011","10.4321","0.0013","16.817","0.002","76.394","0.003","79.665","0.004","71.2","0.003","1308.1","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H29 N3 O5 S -","- C30 H29 N3 O5 S -","- C60 H58 N6 O10 S2 -","2","1","","O'Duill, Miriam L; Matsuura, Rei; Wang, Yanyan; Turnbull, Joshua L.; Gurak, Jr, John A; Gao, De-Wei; Lu, Gang; Liu, Peng; Engle, Keary M.","Tridentate Directing Groups Stabilize 6-Membered Palladacycles in Catalytic Alkene Hydrofunctionalization.","Journal of the American Chemical Society","2017","139","44","15576","15579","10.1021/jacs.7b08383","","x-ray","0.71073","MoKα","K-L~3~","0.0578","0.045","","","0.1061","0.1152","","","","","","1.039","","","","has coordinates,has disorder","241842","2020-10-21","18:00:00",""
"4131670","8.5111","0.0005","10.9386","0.0006","19.1791","0.001","81.916","0.003","86.459","0.002","69.01","0.003","1650.39","0.16","100","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 N6 O7 Pd2 -","- C34 H36 N6 O7 Pd2 -","- C68 H72 N12 O14 Pd4 -","2","1","","O'Duill, Miriam L; Matsuura, Rei; Wang, Yanyan; Turnbull, Joshua L.; Gurak, Jr, John A; Gao, De-Wei; Lu, Gang; Liu, Peng; Engle, Keary M.","Tridentate Directing Groups Stabilize 6-Membered Palladacycles in Catalytic Alkene Hydrofunctionalization.","Journal of the American Chemical Society","2017","139","44","15576","15579","10.1021/jacs.7b08383","","","1.54178","CuKα","","0.0346","0.0311","","","0.0751","0.0771","","","","","","1.052","","","","has coordinates","241843","2020-10-21","18:00:00",""
"4131671","10.5764","0.0005","36.38","0.0019","14.01","0.0007","90","","107.446","0.002","90","","5142.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H54 N8 O7 Rh2 S2 -","- C52 H54 N8 O7 Rh2 S2 -","- C208 H216 N32 O28 Rh8 S8 -","4","1","","Whittemore, Tyler J.; Sayre, Hannah J.; Xue, Congcong; White, Travis A.; Gallucci, Judith C.; Turro, Claudia","New Rh<sub>2</sub>(II,II) Complexes for Solar Energy Applications: Panchromatic Absorption and Excited-State Reactivity.","Journal of the American Chemical Society","2017","139","41","14724","14732","10.1021/jacs.7b08489","","x-ray","0.71073","MoKα","","0.0418","0.0322","","","0.0847","0.0888","","","","","","1.066","","","","has coordinates","241844","2020-10-21","18:00:00",""
"4131672","6.1822","0.0012","13.451","0.003","14.282","0.003","79.78","0.03","89.81","0.03","76.78","0.03","1137","0.5","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H28 I N O5 -","- C22 H28 I N O5 -","- C44 H56 I2 N2 O10 -","2","2","","Zheng, Kuan; Shen, Defeng; Hong, Ran","Biomimetic Synthesis of Lankacidin Antibiotics.","Journal of the American Chemical Society","2017","139","37","12939","12942","10.1021/jacs.7b08500","","","0.71073","MoKα","","0.1066","0.0451","","","0.1042","0.1275","","","","","","0.933","","","","has coordinates","241845","2020-10-21","18:00:00",""
"4131673","26.6787","0.0002","6.1565","0.0003","17.006","0.0003","90","","123.668","0.004","90","","2324.67","0.16","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H28 I N O5 -","- C22 H28 I N O5 -","- C88 H112 I4 N4 O20 -","4","1","","Zheng, Kuan; Shen, Defeng; Hong, Ran","Biomimetic Synthesis of Lankacidin Antibiotics.","Journal of the American Chemical Society","2017","139","37","12939","12942","10.1021/jacs.7b08500","","","0.71073","MoKα","","0.0427","0.0338","","","0.0709","0.0757","","","","","","1.022","","","","has coordinates","241846","2020-10-21","18:00:00",""
"4131674","6.7578","0.0015","7.6767","0.0018","26.524","0.006","90","","90","","90","","1376","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Zheng, Kuan; Shen, Defeng; Hong, Ran","Biomimetic Synthesis of Lankacidin Antibiotics.","Journal of the American Chemical Society","2017","139","37","12939","12942","10.1021/jacs.7b08500","","","0.71073","MoKα","","0.1244","0.0742","","","0.1521","0.1764","","","","","","1.03","","","","has coordinates","241847","2020-10-21","18:00:00",""
"4131675","13.443","0.0014","5.8222","0.0006","15.2575","0.0016","90","","101.159","0.002","90","","1171.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H29 N O5 -","- C25 H29 N O5 -","- C50 H58 N2 O10 -","2","1","","Zheng, Kuan; Shen, Defeng; Hong, Ran","Biomimetic Synthesis of Lankacidin Antibiotics.","Journal of the American Chemical Society","2017","139","37","12939","12942","10.1021/jacs.7b08500","","","0.71073","MoKα","","0.0723","0.0527","","","0.1481","0.1674","","","","","","0.981","","","","has coordinates","241848","2020-10-21","18:00:00",""
"4131676","23.701","0.004","6.8855","0.0011","16.964","0.003","90","","121.446","0.007","90","","2361.8","0.7","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C19 H29 N O5 S2 Si -","- C19 H29 N O5 S2 Si -","- C76 H116 N4 O20 S8 Si4 -","4","1","","Zheng, Kuan; Shen, Defeng; Hong, Ran","Biomimetic Synthesis of Lankacidin Antibiotics.","Journal of the American Chemical Society","2017","139","37","12939","12942","10.1021/jacs.7b08500","","","0.71073","MoKα","","0.0708","0.059","","","0.1513","0.162","","","","","","1.024","","","","has coordinates,has disorder","241849","2020-10-21","18:00:00",""
"4131677","12.0608","0.0006","12.0783","0.0006","7.3327","0.0005","90","","93.252","0.005","90","","1066.46","0.1","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Cl F N O S -","- C11 H7 Cl F N O S -","- C44 H28 Cl4 F4 N4 O4 S4 -","4","1","","Pascoe, Dominic J.; Ling, Kenneth B.; Cockroft, Scott L.","The Origin of Chalcogen-Bonding Interactions.","Journal of the American Chemical Society","2017","139","42","15160","15167","10.1021/jacs.7b08511","","x-ray","0.71073","MoKα","","0.0548","0.0437","","","0.0808","0.0847","","","","","","1.11","","","","has coordinates","241850","2020-10-21","18:00:00",""
"4131678","11.4339","0.0003","40.051","0.0011","54.661","0.002","90","","90","","90","","25031.4","1.3","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C73 H81 Cl2 N4 Ru2 -","- C64 H72 Cl2 N4 Ru2 -","- C1024 H1152 Cl32 N64 Ru32 -","16","0.5","","Bailey, Gwendolyn A.; Lummiss, Justin A. M.; Foscato, Marco; Occhipinti, Giovanni; McDonald, Robert; Jensen, Vidar R.; Fogg, Deryn E.","Decomposition of Olefin Metathesis Catalysts by Brønsted Base: Metallacyclobutane Deprotonation as a Primary Deactivating Event.","Journal of the American Chemical Society","2017","139","46","16446","16449","10.1021/jacs.7b08578","","","1.54178","CuKα","","0.0825","0.0658","","","0.1688","0.1877","","","","","","1.191","","","","has coordinates,has disorder","241851","2020-10-21","18:00:00",""
"4131679","10.6206","0.0003","11.5671","0.0003","13.1397","0.0003","98.4882","0.0007","109.767","0.0006","110.9","0.0006","1351.46","0.06","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 Cl2 N4 O4 Ru2 -","- C56 H68 Cl2 N4 O4 Ru2 -","- C56 H68 Cl2 N4 O4 Ru2 -","1","0.5","","Bailey, Gwendolyn A.; Lummiss, Justin A. M.; Foscato, Marco; Occhipinti, Giovanni; McDonald, Robert; Jensen, Vidar R.; Fogg, Deryn E.","Decomposition of Olefin Metathesis Catalysts by Brønsted Base: Metallacyclobutane Deprotonation as a Primary Deactivating Event.","Journal of the American Chemical Society","2017","139","46","16446","16449","10.1021/jacs.7b08578","","","1.54178","CuKα","","0.0252","0.025","","","0.0667","0.067","","","","","","1.068","","","","has coordinates","241852","2020-10-21","18:00:00",""
"4131680","14.689","0.003","16.134","0.004","16.338","0.004","105.911","0.006","109.936","0.006","109.388","0.006","3088.7","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H28 N8 Ni O3.6 Re0.4 -","- C38 H28 N8 Ni O3.6 Re0.4 -","- C76 H56 N16 Ni2 O7.2 Re0.8 -","2","1","","Zhu, Lin; Sheng, Daopeng; Xu, Chao; Dai, Xing; Silver, Mark A.; Li, Jie; Li, Peng; Wang, Yaxing; Wang, Yanlong; Chen, Lanhua; Xiao, Chengliang; Chen, Jing; Zhou, Ruhong; Zhang, Chao; Farha, Omar K.; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Identifying the Recognition Site for Selective Trapping of <sup>99</sup>TcO<sub>4</sub><sup>-</sup> in a Hydrolytically Stable and Radiation Resistant Cationic Metal-Organic Framework.","Journal of the American Chemical Society","2017","139","42","14873","14876","10.1021/jacs.7b08632","","","0.71073","MoKα","","0.1106","0.077","","","0.2279","0.2488","","","","","","1.037","","","","has coordinates","241853","2020-10-21","18:00:00",""
"4131681","14.487","0.002","16.155","0.002","16.239","0.002","106.811","0.005","109.4","0.005","109.306","0.005","3024.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 N8 Ni O2 -","- C38 H28 N8 Ni O2 -","- C76 H56 N16 Ni2 O4 -","2","1","","Zhu, Lin; Sheng, Daopeng; Xu, Chao; Dai, Xing; Silver, Mark A.; Li, Jie; Li, Peng; Wang, Yaxing; Wang, Yanlong; Chen, Lanhua; Xiao, Chengliang; Chen, Jing; Zhou, Ruhong; Zhang, Chao; Farha, Omar K.; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Identifying the Recognition Site for Selective Trapping of <sup>99</sup>TcO<sub>4</sub><sup>-</sup> in a Hydrolytically Stable and Radiation Resistant Cationic Metal-Organic Framework.","Journal of the American Chemical Society","2017","139","42","14873","14876","10.1021/jacs.7b08632","","","0.71073","MoKα","","0.0922","0.0567","","","0.1629","0.1787","","","","","","1.136","","","","has coordinates","241854","2020-10-21","18:00:00",""
"4131682","14.665","0.002","16.116","0.003","16.329","0.003","106.1","0.005","109.903","0.005","109.451","0.005","3071.5","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H28 N8 Ni O3.2 Tc0.3 -","- C38 H28 N8 Ni O3.2 Tc0.3 -","- C76 H56 N16 Ni2 O6.4 Tc0.6 -","2","1","","Zhu, Lin; Sheng, Daopeng; Xu, Chao; Dai, Xing; Silver, Mark A.; Li, Jie; Li, Peng; Wang, Yaxing; Wang, Yanlong; Chen, Lanhua; Xiao, Chengliang; Chen, Jing; Zhou, Ruhong; Zhang, Chao; Farha, Omar K.; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Identifying the Recognition Site for Selective Trapping of <sup>99</sup>TcO<sub>4</sub><sup>-</sup> in a Hydrolytically Stable and Radiation Resistant Cationic Metal-Organic Framework.","Journal of the American Chemical Society","2017","139","42","14873","14876","10.1021/jacs.7b08632","","","0.71073","MoKα","","0.076","0.0606","","","0.1936","0.2024","","","","","","1.522","","","","has coordinates","241855","2020-10-21","18:00:00",""
"4131683","35.924","0.005","95.717","0.012","36.659","0.005","90","","94.532","0.008","90","","125659","3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C840 H1092 Au279 S83 -","- Au279 S84 -","- Au1116 S336 -","4","1","","Sakthivel, Naga Arjun; Theivendran, Shevanuja; Ganeshraj, Vigneshraja; Oliver, Allen G.; Dass, Amala","Crystal Structure of Faradaurate-279: Au<sub>279</sub>(SPh-tBu)<sub>84</sub> Plasmonic Nanocrystal Molecules.","Journal of the American Chemical Society","2017","139","43","15450","15459","10.1021/jacs.7b08651","","","1.54184","CuKα","","0.2513","0.1372","","","0.3456","0.3968","","","","","","1.743","","","","has coordinates,has disorder","241856","2020-10-21","18:00:00",""
"4131684","42.4313","0.0018","42.4313","0.0018","15.8882","0.0008","90","","90","","90","","28605","2","100","2","100.01","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C76 H62 Fe N3 -","- C76 H62 Fe N3 -","- C1216 H992 Fe16 N48 -","16","1","","Wilding, Matthew J. T.; Iovan, Diana A.; Wrobel, Alexandra T.; Lukens, James T.; MacMillan, Samantha N.; Lancaster, Kyle M.; Betley, Theodore A.","Direct Comparison of C-H Bond Amination Efficacy through Manipulation of Nitrogen-Valence Centered Redox: Imido versus Iminyl.","Journal of the American Chemical Society","2017","139","41","14757","14766","10.1021/jacs.7b08714","","","0.71073","MoKα","","0.1467","0.0892","","","0.2592","0.2799","","","","","","1.136","","","","has coordinates,has disorder","241857","2020-10-21","18:00:00",""
"4131685","14.694","0.003","15.145","0.003","16.966","0.004","68.051","0.003","84.136","0.003","79.987","0.003","3445.8","1.3","100","2","100.05","","","","","","","","","4","P -1","-P 1","2","","","","- C76 H63 Fe N3 -","- C76 H63 Fe N3 -","- C152 H126 Fe2 N6 -","2","1","","Wilding, Matthew J. T.; Iovan, Diana A.; Wrobel, Alexandra T.; Lukens, James T.; MacMillan, Samantha N.; Lancaster, Kyle M.; Betley, Theodore A.","Direct Comparison of C-H Bond Amination Efficacy through Manipulation of Nitrogen-Valence Centered Redox: Imido versus Iminyl.","Journal of the American Chemical Society","2017","139","41","14757","14766","10.1021/jacs.7b08714","","","0.71073","MoKα","","0.165","0.0885","","","0.2473","0.2798","","","","","","0.969","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4131686","4.8473","0.001","5.199","0.001","15.806","0.003","92.536","0.003","92.576","0.003","95.768","0.003","395.43","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","1","0.5","","Jordan, Robert S.; Li, Yolanda L.; Lin, Cheng-Wei; McCurdy, Ryan D.; Lin, Janice B.; Brosmer, Jonathan L.; Marsh, Kristofer L.; Khan, Saeed I.; Houk, K. N.; Kaner, Richard B.; Rubin, Yves","Synthesis of N = 8 Armchair Graphene Nanoribbons from Four Distinct Polydiacetylenes.","Journal of the American Chemical Society","2017","139","44","15878","15890","10.1021/jacs.7b08800","","","0.71073","MoKα","","0.0702","0.0443","","","0.1015","0.1107","","","","","","1.043","","","","has coordinates","241858","2020-10-21","18:00:00",""
"4131687","5.385","0.0001","4.9432","0.0001","27.2148","0.0007","90","","90.2187","0.0016","90","","724.43","0.03","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C40 H28 O4 -","2","0.5","","Jordan, Robert S.; Li, Yolanda L.; Lin, Cheng-Wei; McCurdy, Ryan D.; Lin, Janice B.; Brosmer, Jonathan L.; Marsh, Kristofer L.; Khan, Saeed I.; Houk, K. N.; Kaner, Richard B.; Rubin, Yves","Synthesis of N = 8 Armchair Graphene Nanoribbons from Four Distinct Polydiacetylenes.","Journal of the American Chemical Society","2017","139","44","15878","15890","10.1021/jacs.7b08800","","","1.54178","CuKα","","0.0374","0.0324","","","0.0867","0.0891","","","","","","1.057","","","","has coordinates","241859","2020-10-21","18:00:00",""
"4131688","4.7918","0.0002","5.431","0.0002","19.0454","0.0007","88.299","0.002","89.48","0.001","81.756","0.002","490.3","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","1","0.5","","Jordan, Robert S.; Li, Yolanda L.; Lin, Cheng-Wei; McCurdy, Ryan D.; Lin, Janice B.; Brosmer, Jonathan L.; Marsh, Kristofer L.; Khan, Saeed I.; Houk, K. N.; Kaner, Richard B.; Rubin, Yves","Synthesis of N = 8 Armchair Graphene Nanoribbons from Four Distinct Polydiacetylenes.","Journal of the American Chemical Society","2017","139","44","15878","15890","10.1021/jacs.7b08800","","","1.54178","CuKα","","0.0416","0.039","","","0.1092","0.1115","","","","","","1.052","","","","has coordinates","241860","2020-10-21","18:00:00",""
"4131689","11.6141","0.0017","16.5066","0.0018","17.648","0.003","85.169","0.005","85.229","0.006","70.914","0.004","3180.4","0.8","100","2","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H70 B3 F12 Fe2 N14 O5 -","- C52 H70 B3 F12 Fe2 N14 O5 -","- C104 H140 B6 F24 Fe4 N28 O10 -","2","1","","Jana, Manish; Pal, Nabhendu; White, Corey J.; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Mononitrosyl Diiron(II) Complex Mediates the Reduction of NO to N<sub>2</sub>O with Relevance for Flavodiiron NO Reductases.","Journal of the American Chemical Society","2017","139","41","14380","14383","10.1021/jacs.7b08855","","x-ray","0.71073","MoKα","","0.1718","0.1082","","","0.2867","0.3495","","","","","","1.055","","","","has coordinates,has disorder","241861","2020-10-21","18:00:00",""
"4131690","11.784","0.011","16.53","0.015","17.793","0.016","84.348","0.011","86.138","0.011","70.556","0.01","3250","5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H70 B3 F12 Fe2 N14 O5 -","- C52 H70 B3 F12 Fe2 N14 O5 -","- C104 H140 B6 F24 Fe4 N28 O10 -","2","1","","Jana, Manish; Pal, Nabhendu; White, Corey J.; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Mononitrosyl Diiron(II) Complex Mediates the Reduction of NO to N<sub>2</sub>O with Relevance for Flavodiiron NO Reductases.","Journal of the American Chemical Society","2017","139","41","14380","14383","10.1021/jacs.7b08855","","x-ray","0.71073","MoKα","","0.133","0.0843","","","0.242","0.2722","","","","","","1.053","","","","has coordinates,has disorder","241862","2020-10-21","18:00:00",""
"4131691","11.73","0.008","16.672","0.011","17.852","0.012","85.098","0.009","85.288","0.011","70.783","0.009","3279","4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H70 B3 F12 Fe2 N14 O5 -","- C52 H70 B3 F12 Fe2 N14 O5 -","- C104 H140 B6 F24 Fe4 N28 O10 -","2","1","","Jana, Manish; Pal, Nabhendu; White, Corey J.; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Mononitrosyl Diiron(II) Complex Mediates the Reduction of NO to N<sub>2</sub>O with Relevance for Flavodiiron NO Reductases.","Journal of the American Chemical Society","2017","139","41","14380","14383","10.1021/jacs.7b08855","","x-ray","0.71073","MoKα","","0.2818","0.1058","","","0.2178","0.2987","","","","","","0.934","","","","has coordinates,has disorder","241863","2020-10-21","18:00:00",""
"4131692","11.679","0.002","16.572","0.003","17.764","0.003","84.935","0.005","85.446","0.005","70.766","0.005","3228.9","1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H70 B3 F12 Fe2 N14 O5 -","- C52 H70 B3 F12 Fe2 N14 O5 -","- C104 H140 B6 F24 Fe4 N28 O10 -","2","1","","Jana, Manish; Pal, Nabhendu; White, Corey J.; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Mononitrosyl Diiron(II) Complex Mediates the Reduction of NO to N<sub>2</sub>O with Relevance for Flavodiiron NO Reductases.","Journal of the American Chemical Society","2017","139","41","14380","14383","10.1021/jacs.7b08855","","x-ray","0.71073","MoKα","","0.2544","0.1038","","","0.2184","0.2924","","","","","","0.956","","","","has coordinates,has disorder","241864","2020-10-21","18:00:00",""
"4131693","13.951","0.006","22.262","0.009","15.711","0.006","90","","95.438","0.011","90","","4858","3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 B2 F8 Fe2 N10 O2 S -","- C45 H52 B2 F8 Fe2 N10 O2 S -","- C180 H208 B8 F32 Fe8 N40 O8 S4 -","4","1","","Jana, Manish; Pal, Nabhendu; White, Corey J.; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Mononitrosyl Diiron(II) Complex Mediates the Reduction of NO to N<sub>2</sub>O with Relevance for Flavodiiron NO Reductases.","Journal of the American Chemical Society","2017","139","41","14380","14383","10.1021/jacs.7b08855","","x-ray","0.71073","MoKα","","0.1519","0.0799","","","0.1849","0.2227","","","","","","1.021","","","","has coordinates,has disorder","241865","2020-10-21","18:00:00",""
"4131694","15.5333","0.0015","9.9375","0.001","16.9501","0.0016","90","","99.275","0.003","90","","2582.2","0.4","100","","100","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H41 Al Br2 N2 Si -","- C20 H41 Al Br2 N2 Si -","- C80 H164 Al4 Br8 N8 Si4 -","4","1","","Bag, Prasenjit; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi","A Stable Neutral Compound with an Aluminum-Aluminum Double Bond.","Journal of the American Chemical Society","2017","139","41","14384","14387","10.1021/jacs.7b08890","","x-ray","0.71073","MoKα","","0.0398","0.0314","","","0.063","0.0654","","","","","","1.152","","","","has coordinates","241866","2020-10-21","18:00:00",""
"4131695","9.1376","0.0003","11.34","0.0004","15.0779","0.0005","96.189","0.001","106.151","0.001","113.011","0.001","1339.23","0.08","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C20 H41 Al I2 N2 Si -","- C20 H41 Al I2 N2 Si -","- C40 H82 Al2 I4 N4 Si2 -","2","1","","Bag, Prasenjit; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi","A Stable Neutral Compound with an Aluminum-Aluminum Double Bond.","Journal of the American Chemical Society","2017","139","41","14384","14387","10.1021/jacs.7b08890","","x-ray","0.71073","MoKα","","0.0163","0.0146","","","0.035","0.0357","","","","","","1.079","","","","has coordinates","241867","2020-10-21","18:00:00",""
"4131696","9.5006","0.0005","11.8557","0.0006","11.8594","0.0006","99.203","0.002","106.019","0.002","110.967","0.002","1148.04","0.11","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C40 H82 Al2 N4 Si2 -","- C40 H82 Al2 N4 Si2 -","- C40 H82 Al2 N4 Si2 -","1","0.5","","Bag, Prasenjit; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi","A Stable Neutral Compound with an Aluminum-Aluminum Double Bond.","Journal of the American Chemical Society","2017","139","41","14384","14387","10.1021/jacs.7b08890","","x-ray","0.71073","MoKα","","0.0783","0.0676","","","0.1693","0.1789","","","","","","1.05","","","","has coordinates,has disorder","241868","2020-10-21","18:00:00",""
"4131697","12.5284","0.0006","17.6881","0.001","14.2283","0.0007","90","","113.22","0.002","90","","2897.6","0.3","100","","100","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C53 H100 Al2 N4 Si2 -","- C53 H100 Al2 N4 Si2 -","- C106 H200 Al4 N8 Si4 -","2","1","","Bag, Prasenjit; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi","A Stable Neutral Compound with an Aluminum-Aluminum Double Bond.","Journal of the American Chemical Society","2017","139","41","14384","14387","10.1021/jacs.7b08890","","x-ray","0.71073","MoKα","","0.0319","0.029","","","0.0712","0.0728","","","","","","1.027","","","","has coordinates,has disorder","241869","2020-10-21","18:00:00",""
"4131698","31.4094","0.0016","17.7939","0.0008","23.1766","0.0012","90","","123.683","0.001","90","","10778.7","0.9","100","","100","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H94 Al2 N4 Si2 -","- C49 H94 Al2 N4 Si2 -","- C392 H752 Al16 N32 Si16 -","8","1","","Bag, Prasenjit; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi","A Stable Neutral Compound with an Aluminum-Aluminum Double Bond.","Journal of the American Chemical Society","2017","139","41","14384","14387","10.1021/jacs.7b08890","","x-ray","0.71073","MoKα","","0.0618","0.0413","","","0.0916","0.097","","","","","","1.062","","","","has coordinates,has disorder","241870","2020-10-21","18:00:00",""
"4131699","11.55","0.0013","37.053","0.004","26.689","0.003","90","","102.37","0.003","90","","11157","2","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H88 Al2 N4 Si2 -","- C48 H88 Al2 N4 Si2 -","- C384 H704 Al16 N32 Si16 -","8","2","","Bag, Prasenjit; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi","A Stable Neutral Compound with an Aluminum-Aluminum Double Bond.","Journal of the American Chemical Society","2017","139","41","14384","14387","10.1021/jacs.7b08890","","x-ray","0.71073","MoKα","","0.0931","0.0551","","","0.1227","0.138","","","","","","1.023","","","","has coordinates","241871","2020-10-21","18:00:00",""
"4131700","18.4029","0.0019","18.4029","0.0019","16.434","0.003","90","","90","","90","","5565.6","1.3","110","","110","","","","","","","","","6","I -4","I -4","82","","","","- C108 H144 Ag4 Au4 N8 S4 -","- C108 H144 Ag4 Au4 N8 S4 -","- C216 H288 Ag8 Au8 N16 S8 -","2","0.25","","Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F.","A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.","Journal of the American Chemical Society","2017","139","40","14045","14048","10.1021/jacs.7b09025","","","0.71073","MoKα","","0.0214","0.0189","","","0.047","0.0482","","","","","","0.717","","","","has coordinates","241873","2020-10-21","18:00:00",""
"4131701","18.437","0.004","18.437","0.004","16.477","0.006","90","","90","","90","","5601","3","110","","110","","","","","","","","","6","I -4","I -4","82","","","","- C108 H144 Ag4 Au4 N8 Se4 -","- C108 H144 Ag4 Au4 N8 Se4 -","- C216 H288 Ag8 Au8 N16 Se8 -","2","0.25","","Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F.","A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.","Journal of the American Chemical Society","2017","139","40","14045","14048","10.1021/jacs.7b09025","","","0.71073","MoKα","","0.0372","0.0261","","","0.0394","0.0412","","","","","","0.974","","","","has coordinates","241873","2020-10-21","18:00:00",""
"4131702","18.389","0.005","18.389","0.005","16.455","0.004","90","","90","","90","","5564","3","110","2","110","2","","","","","","","","5","I -4","I -4","82","","","","- C108 H144 Au8 N8 S4 -","- C108 H144 Au8 N8 S4 -","- C216 H288 Au16 N16 S8 -","2","0.25","","Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F.","A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.","Journal of the American Chemical Society","2017","139","40","14045","14048","10.1021/jacs.7b09025","","","0.71073","MoKα","","0.056","0.033","","","0.0684","0.0752","","","","","","0.991","","","","has coordinates","241873","2020-10-21","18:00:00",""
"4131703","18.451","0.005","18.451","","16.458","0.006","90","","90","","90","","5603","3","110","","110","","","","","","","","","5","I -4","I -4","82","","","","- C108 H144 Au8 N8 Se4 -","- C108 H144 Au8 N8 Se4 -","- C216 H288 Au16 N16 Se8 -","2","0.25","","Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F.","A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.","Journal of the American Chemical Society","2017","139","40","14045","14048","10.1021/jacs.7b09025","","","0.71073","MoKα","","0.0301","0.0238","","","0.0437","0.0455","","","","","","1.006","","","","has coordinates","241873","2020-10-21","18:00:00",""
"4131704","14.9225","0.0011","22.1262","0.0018","34.994","0.003","90","","90","","90","","11554.3","1.6","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C112 H152 Au8 N8 O Te4 -","- C112 H152 Au8 N8 O Te4 -","- C448 H608 Au32 N32 O4 Te16 -","4","1","","Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F.","A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.","Journal of the American Chemical Society","2017","139","40","14045","14048","10.1021/jacs.7b09025","","","0.71073","MoKα","","0.0635","0.0379","","","0.0693","0.0784","","","","","","1.049","","","","has coordinates","241873","2020-10-21","18:00:00",""
"4131705","6.352","0.0007","12.4378","0.0009","43.97","0.003","90","","90","","90","","3473.8","0.5","293","","293","","","","","","","","","5","I m m a","-I 2b 2","74","Guanidinium Methylammonium Lead Iodide","","","- C4 H24 I10 N6 Pb3 -","- C4 H24 I10 N6 Pb3 -","- C16 H96 I40 N24 Pb12 -","4","0.25","","Soe, Chan Myae Myae; Stoumpos, Constantinos C.; Kepenekian, Mikaël; Traoré, Boubacar; Tsai, Hsinhan; Nie, Wanyi; Wang, Binghao; Katan, Claudine; Seshadri, Ram; Mohite, Aditya D.; Even, Jacky; Marks, Tobin J.; Kanatzidis, Mercouri G.","New Type of 2D Perovskites with Alternating Cations in the Interlayer Space, (C(NH<sub>2</sub>)<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>)<sub>n</sub>Pb<sub>n</sub>I<sub>3n+1</sub>: Structure, Properties, and Photovoltaic Performance.","Journal of the American Chemical Society","2017","139","45","16297","16309","10.1021/jacs.7b09096","","x-ray","0.71073","MoKα","","0.0863","0.0597","","","0.1254","0.127","","","","3.4","3.4","2.8","","","","has coordinates","241874","2020-10-21","18:00:00",""
"4131706","6.3729","0.0004","12.5435","0.0008","31.376","0.002","90","","90","","90","","2508.1","0.3","293","","293","","","","","","","","","5","B m m 2","B 2 -2","38","Guanidinium Methylammonium Lead Iodide","","","- C3 H18 I7 N5 Pb2 -","- C3 H18 I7 N5 Pb2 -","- C12 H72 I28 N20 Pb8 -","4","0.5","","Soe, Chan Myae Myae; Stoumpos, Constantinos C.; Kepenekian, Mikaël; Traoré, Boubacar; Tsai, Hsinhan; Nie, Wanyi; Wang, Binghao; Katan, Claudine; Seshadri, Ram; Mohite, Aditya D.; Even, Jacky; Marks, Tobin J.; Kanatzidis, Mercouri G.","New Type of 2D Perovskites with Alternating Cations in the Interlayer Space, (C(NH<sub>2</sub>)<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>)<sub>n</sub>Pb<sub>n</sub>I<sub>3n+1</sub>: Structure, Properties, and Photovoltaic Performance.","Journal of the American Chemical Society","2017","139","45","16297","16309","10.1021/jacs.7b09096","","x-ray","0.71073","MoKα","","0.0898","0.0555","","","0.1099","0.1126","","","","2.66","2.66","2.19","","","","has coordinates","241875","2020-10-21","18:00:00",""
"4131707","6.4286","0.0006","12.4577","0.0009","18.8258","0.0013","90","","90","","90","","1507.7","0.2","293","","293","","","","","","","","","5","I m m a","-I 2b 2","74","Guanidinium Methylammonium Lead Iodide","","","- C2 H12 I4 N4 Pb -","- C2 H14 I4 N4 Pb -","- C8 H56 I16 N16 Pb4 -","4","0.25","","Soe, Chan Myae Myae; Stoumpos, Constantinos C.; Kepenekian, Mikaël; Traoré, Boubacar; Tsai, Hsinhan; Nie, Wanyi; Wang, Binghao; Katan, Claudine; Seshadri, Ram; Mohite, Aditya D.; Even, Jacky; Marks, Tobin J.; Kanatzidis, Mercouri G.","New Type of 2D Perovskites with Alternating Cations in the Interlayer Space, (C(NH<sub>2</sub>)<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>)<sub>n</sub>Pb<sub>n</sub>I<sub>3n+1</sub>: Structure, Properties, and Photovoltaic Performance.","Journal of the American Chemical Society","2017","139","45","16297","16309","10.1021/jacs.7b09096","","x-ray","0.71073","MoKα","","0.0677","0.0575","","","0.1356","0.1361","","","","3.6","3.6","3.18","","","","has coordinates","241876","2020-10-21","18:00:00",""
"4131708","12.8614","0.0001","17.9146","0.0002","18.8871","0.0002","90","","90","","90","","4351.72","0.08","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C49 H41 Br2 F N3 O2 Rh S2 -","- C49 H41 Br2 F N3 O2 Rh S2 -","- C196 H164 Br8 F4 N12 O8 Rh4 S8 -","4","1","","Ma, Jiajia; Rosales, Anthony R.; Huang, Xiaoqiang; Harms, Klaus; Riedel, Radostan; Wiest, Olaf; Meggers, Eric","Visible-Light-Activated Asymmetric β-C-H Functionalization of Acceptor-Substituted Ketones with 1,2-Dicarbonyl Compounds.","Journal of the American Chemical Society","2017","139","48","17245","17248","10.1021/jacs.7b09152","","","1.54178","CuKα","","0.0279","0.0265","","","0.0678","0.0687","","","","","","1.063","","","","has coordinates,has disorder","241877","2020-10-21","18:00:00",""
"4131709","10.3202","0.0005","15.5911","0.0006","19.1946","0.0008","78.028","0.001","74.768","0.002","83.519","0.002","2909.6","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","MH127B","","","- C33 H34 N2 O4 S -","- C33 H34 N2 O4 S -","- C132 H136 N8 O16 S4 -","4","4","","Ma, Jiajia; Rosales, Anthony R.; Huang, Xiaoqiang; Harms, Klaus; Riedel, Radostan; Wiest, Olaf; Meggers, Eric","Visible-Light-Activated Asymmetric β-C-H Functionalization of Acceptor-Substituted Ketones with 1,2-Dicarbonyl Compounds.","Journal of the American Chemical Society","2017","139","48","17245","17248","10.1021/jacs.7b09152","","","0.71073","MoKα","","0.044","0.0377","","","0.0889","0.0918","","","","","","1.038","","","","has coordinates","241878","2020-10-21","18:00:00",""
"4131710","7.792","0.0003","10.0353","0.0004","11.4214","0.0005","95.921","0.002","90.442","0.003","111.095","0.002","827.83","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H42 P2 Si4 -","- C32 H42 P2 Si4 -","- C32 H42 P2 Si4 -","1","0.5","","Wu, Lipeng; Chitnis, Saurabh S.; Jiao, Haijun; Annibale, Vincent T.; Manners, Ian","Non-Metal-Catalyzed Heterodehydrocoupling of Phosphines and Hydrosilanes: Mechanistic Studies of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-Mediated Formation of P-Si Bonds.","Journal of the American Chemical Society","2017","139","46","16780","16790","10.1021/jacs.7b09175","","","0.71073","MoKα","","0.0533","0.0459","","","0.1227","0.1257","","","","","","1.174","","","","has coordinates","241879","2020-10-21","18:00:00",""
"4131711","12.0012","0.0006","6.1504","0.0003","22.4927","0.0011","90","","97.606","0.003","90","","1645.63","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H33 P3 Si3 -","- C36 H33 P3 Si3 -","- C72 H66 P6 Si6 -","2","1","","Wu, Lipeng; Chitnis, Saurabh S.; Jiao, Haijun; Annibale, Vincent T.; Manners, Ian","Non-Metal-Catalyzed Heterodehydrocoupling of Phosphines and Hydrosilanes: Mechanistic Studies of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-Mediated Formation of P-Si Bonds.","Journal of the American Chemical Society","2017","139","46","16780","16790","10.1021/jacs.7b09175","","","0.71073","MoKα","","0.0957","0.0589","","","0.1118","0.1258","","","","","","1.021","","","","has coordinates,has disorder","241880","2020-10-21","18:00:00",""
"4131712","10.792","0.0011","10.7448","0.0011","27.763","0.003","90","","98.65","0.002","90","","3182.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C144 H184 N8 O32 -","8","2","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","0.71073","MoKα","","0.0882","0.0615","","","0.1354","0.1498","","","","","","1.066","","","","has coordinates","241881","2020-10-21","18:00:00",""
"4131713","17.5698","0.0004","8.3155","0.0002","11.8728","0.0003","90","","99.083","0.001","90","","1712.88","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O2 S -","- C21 H25 N O2 S -","- C84 H100 N4 O8 S4 -","4","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0556","0.0449","","","0.1182","0.1259","","","","","","1.051","","","","has coordinates","241882","2020-10-21","18:00:00",""
"4131714","7.1734","0.0004","14.6205","0.0009","15.2005","0.0009","90","","90","","90","","1594.21","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0307","0.0305","","","0.0781","0.0782","","","","","","1.061","","","","has coordinates","241883","2020-10-21","18:00:00",""
"4131715","10.8118","0.0005","8.8697","0.0004","11.4025","0.0005","90","","104.619","0.002","90","","1058.07","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 N O7 -","- C23 H31 N O7 -","- C46 H62 N2 O14 -","2","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0324","0.0286","","","0.0678","0.0699","","","","","","1.051","","","","has coordinates","241884","2020-10-21","18:00:00",""
"4131716","9.4222","0.0006","7.4529","0.0005","15.4791","0.0012","90","","107.689","0.002","90","","1035.59","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O7 -","- C23 H27 N O7 -","- C46 H54 N2 O14 -","2","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.028","0.0272","","","0.0736","0.0744","","","","","","1.037","","","","has coordinates","241885","2020-10-21","18:00:00",""
"4131717","13.9532","0.0009","12.0587","0.0007","20.2467","0.0012","90","","90","","90","","3406.7","0.4","299","2","299","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C168 H200 N8 O24 -","8","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0492","0.0429","","","0.1505","0.157","","","","","","1.304","","","","has coordinates","241886","2020-10-21","18:00:00",""
"4131718","8.5702","0.0002","10.0842","0.0002","10.0388","0.0002","90","","103.439","0.001","90","","843.83","0.03","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C42 H54 N2 O4 -","2","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0319","0.0304","","","0.0911","0.0938","","","","","","0.85","","","","has coordinates","241887","2020-10-21","18:00:00",""
"4131719","10.9607","0.0005","6.5772","0.0003","29.7316","0.0012","90","","110.131","0.002","90","","2012.43","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O7 -","- C23 H27 N O7 -","- C92 H108 N4 O28 -","4","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0527","0.0456","","","0.1135","0.1183","","","","","","1.056","","","","has coordinates","241888","2020-10-21","18:00:00",""
"4131720","8.956","0.0007","12.4495","0.0009","23.3598","0.0018","81.01","0.004","89.536","0.003","83.021","0.004","2553.4","0.3","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C66.75 H57.75 -","- C66.75 H57.75 -","- C133.5 H115.5 -","2","1","","Jin, Zexin; Teo, Yew Chin; Teat, Simon J.; Xia, Yan","Regioselective Synthesis of [3]Naphthylenes and Tuning of Their Antiaromaticity.","Journal of the American Chemical Society","2017","139","44","15933","15939","10.1021/jacs.7b09222","","","0.7749","synchrotron","","0.0951","0.0818","","","0.2228","0.235","","","","","","1.073","","","","has coordinates","241889","2020-10-21","18:00:00",""
"4131721","19.9832","0.0008","5.5314","0.0002","22.3395","0.0012","90","","116.496","0.001","90","","2209.94","0.17","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 -","- C34 H24 -","- C136 H96 -","4","1","","Jin, Zexin; Teo, Yew Chin; Teat, Simon J.; Xia, Yan","Regioselective Synthesis of [3]Naphthylenes and Tuning of Their Antiaromaticity.","Journal of the American Chemical Society","2017","139","44","15933","15939","10.1021/jacs.7b09222","","","0.7749","synchrotron","","0.0605","0.0467","","","0.1295","0.1414","","","","","","1.044","","","","has coordinates","241890","2020-10-21","18:00:00",""
"4131722","46.692","0.002","16.5713","0.0008","7.7012","0.0005","90","","93.04","0.003","90","","5950.4","0.5","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C66 H56 -","- C66 H56 -","- C264 H224 -","4","0.5","","Jin, Zexin; Teo, Yew Chin; Teat, Simon J.; Xia, Yan","Regioselective Synthesis of [3]Naphthylenes and Tuning of Their Antiaromaticity.","Journal of the American Chemical Society","2017","139","44","15933","15939","10.1021/jacs.7b09222","","","0.7749","synchrotron","","0.0958","0.0758","","","0.2243","0.2519","","","","","","1.05","","","","has coordinates","241891","2020-10-21","18:00:00",""
"4131723","7.8079","0.0005","5.2899","0.0003","26.0814","0.0017","90","","98.358","0.002","90","","1065.8","0.11","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 -","- C34 H24 -","- C68 H48 -","2","0.5","","Jin, Zexin; Teo, Yew Chin; Teat, Simon J.; Xia, Yan","Regioselective Synthesis of [3]Naphthylenes and Tuning of Their Antiaromaticity.","Journal of the American Chemical Society","2017","139","44","15933","15939","10.1021/jacs.7b09222","","","0.7749","synchrotron","","0.0528","0.0461","","","0.1254","0.1284","","","","","","1.115","","","","has coordinates","241892","2020-10-21","18:00:00",""
"4131724","11.263","0.0006","11.6823","0.0004","20.3071","0.0007","90","","90","","90","","2671.96","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O6 -","- C24 H29 N O6 -","- C96 H116 N4 O24 -","4","1","","Dhanjee, Heemal H.; Kobayashi, Yutaka; Buergler, Jonas F.; McMahon, Travis C.; Haley, Matthew W.; Howell, Jennifer M.; Fujiwara, Koichi; Wood, John L.","Total Syntheses of (+)- and (-)-Tetrapetalones A and C.","Journal of the American Chemical Society","2017","139","42","14901","14904","10.1021/jacs.7b09358","","","0.71073","MoKα","","0.0534","0.044","","","0.119","0.1234","","","","","","1.066","","","","has coordinates","241893","2020-10-21","18:00:00",""
"4131725","23.005","0.005","14.524","0.003","30.713","0.008","90","","92.742","0.009","90","","10250","4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C105 H88 As3 Fe N4 O17 -","- C105 H88 As3 Fe N4 O17 -","- C420 H352 As12 Fe4 N16 O68 -","4","1","","Johnstone, Timothy C.; Nolan, Elizabeth M.","Determination of the Molecular Structures of Ferric Enterobactin and Ferric Enantioenterobactin Using Racemic Crystallography.","Journal of the American Chemical Society","2017","139","42","15245","15250","10.1021/jacs.7b09375","","","0.71073","MoKα","","0.1856","0.0974","","","0.2225","0.2675","","","","","","1.031","","","","has coordinates","241894","2020-10-21","18:00:00",""
"4131726","23.8409","0.0011","23.8409","0.0011","19.7162","0.001","90","","90","","90","","11206.5","0.9","100","2","100","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C84 H60 F6 O38 Th6 -","- C84 H60 F6 O38 Th6 -","- C168 H120 F12 O76 Th12 -","2","0.125","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.0444","0.035","","","0.0942","0.1007","","","","","","1.048","","","","has coordinates","241895","2020-10-21","18:00:00",""
"4131727","23.9392","0.0011","23.9392","0.0011","15.6881","0.0008","90","","90","","90","","8990.6","0.7","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C84 H56 O32 Zr6 -","- C84 H56 O32 Zr6 -","- C168 H112 O64 Zr12 -","2","0.125","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.131","0.1084","","","0.3373","0.3533","","","","","","1.398","","","","has coordinates","241896","2020-10-21","18:00:00",""
"4131728","24.1119","0.0014","24.1119","0.0014","19.0718","0.0011","90","","90","","90","","11088","1.1","100","2","100","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C71.57 H48 O54.18 Th6 U4.05 -","- C71.564 H48 O54.128 Th6 U4.044 -","- C143.128 H96 O108.256 Th12 U8.088 -","2","0.125","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.1066","0.098","","","0.2063","0.2109","","","","","","1.217","","","","has coordinates,has disorder","241897","2020-10-21","18:00:00",""
"4131729","24.4443","0.0011","24.4443","0.0011","14.3985","0.0006","90","","90","","90","","8603.4","0.7","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O32 Zr6 -","- C64 H48 O32 Zr6 -","- C128 H96 O64 Zr12 -","2","0.125","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.0797","0.053","","","0.1489","0.1615","","","","","","1.072","","","","has coordinates","241898","2020-10-21","18:00:00",""
"4131730","24.0528","0.0009","24.0528","0.0009","15.706","0.0007","90","","90","","90","","9086.5","0.6","100","2","100","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O40.08 U0.88 Zr6 -","- C64 H48 O40.208 U0.878 Zr6 -","- C128 H96 O80.416 U1.756 Zr12 -","2","0.125","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.0869","0.0586","","","0.182","0.2046","","","","","","1.048","","","","has coordinates","241899","2020-10-21","18:00:00",""
"4131731","24.9768","0.0018","24.9768","0.0018","15.9864","0.0012","90","","90","","90","","9973","1.3","223","2","223","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C70 H62 N2 O34 U6 -","- C70 H62 N2 O34 U6 -","- C140 H124 N4 O68 U12 -","2","0.125","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.0838","0.053","","","0.1298","0.1525","","","","","","1.022","","","","has coordinates","241900","2020-10-21","18:00:00",""
"4131732","34.0484","0.0016","34.0484","0.0016","34.0484","0.0016","90","","90","","90","","39472","3","302","2","302","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C120 H90 N6 O38 Th6 -","- C120 H90 N6 O38 Th6 -","- C480 H360 N24 O152 Th24 -","4","0.0208333","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.0423","0.0352","","","0.0868","0.0891","","","","","","1.085","","","","has coordinates","241901","2020-10-21","18:00:00",""
"4131733","32.8216","0.001","32.8216","0.001","32.8216","0.001","90","","90","","90","","35357.3","1.9","223","2","223","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C120 H72 O32 Zr6 -","- C120 H72 O32 Zr6 -","- C480 H288 O128 Zr24 -","4","0.0208333","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.069","0.0593","","","0.1679","0.1785","","","","","","1.099","","","","has coordinates","241902","2020-10-21","18:00:00",""
"4131734","24.8785","0.0008","24.8785","0.0008","17.5034","0.0006","90","","90","","90","","10833.6","0.6","223","2","223","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O34 Th6 -","- C64 H48 O34 Th6 -","- C128 H96 O68 Th12 -","2","0.125","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.0514","0.0335","","","0.0872","0.0955","","","","","","1.037","","","","has coordinates","241903","2020-10-21","18:00:00",""
"4131735","11.5248","0.001","11.5614","0.001","16.683","0.002","100.5","0.001","98.71","0.001","114.73","0.001","1919.6","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","tris(tris(dimethylsilyl)methyl)lanthanum","","- C21 H63 La Si9 -","- C21 H63 La Si9 -","- C42 H126 La2 Si18 -","2","1","","Pindwal, Aradhana; Yan, KaKing; Patnaik, Smita; Schmidt, Bradley M.; Ellern, Arkady; Slowing, Igor I.; Bae, Cheolbeom; Sadow, Aaron D.","Homoleptic Trivalent Tris(alkyl) Rare Earth Compounds.","Journal of the American Chemical Society","2017","139","46","16862","16874","10.1021/jacs.7b09521","","","0.71073","MoKα","","0.027","0.0222","","","0.0581","0.0628","","","","","","0.693","","","","has coordinates","241904","2020-10-21","18:00:00",""
"4131736","11.4598","0.0006","11.4911","0.0006","16.6786","0.0009","100.275","0.0008","98.368","0.0007","114.643","0.0007","1903.98","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H63 Pr Si9 -","- C21 H63 Pr Si9 -","- C42 H126 Pr2 Si18 -","2","1","","Pindwal, Aradhana; Yan, KaKing; Patnaik, Smita; Schmidt, Bradley M.; Ellern, Arkady; Slowing, Igor I.; Bae, Cheolbeom; Sadow, Aaron D.","Homoleptic Trivalent Tris(alkyl) Rare Earth Compounds.","Journal of the American Chemical Society","2017","139","46","16862","16874","10.1021/jacs.7b09521","","","0.71073","MoKα","","0.0304","0.0248","","","0.0624","0.0684","","","","","","0.72","","","","has coordinates","241905","2020-10-21","18:00:00",""
"4131737","9.4802","0.001","11.7428","0.0013","20.872","0.002","96.46","0.0017","97.125","0.0017","112.569","0.0015","2096.3","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H66 Nd Si9 -","- C24 H66 Nd Si9 -","- C48 H132 Nd2 Si18 -","2","1","","Pindwal, Aradhana; Yan, KaKing; Patnaik, Smita; Schmidt, Bradley M.; Ellern, Arkady; Slowing, Igor I.; Bae, Cheolbeom; Sadow, Aaron D.","Homoleptic Trivalent Tris(alkyl) Rare Earth Compounds.","Journal of the American Chemical Society","2017","139","46","16862","16874","10.1021/jacs.7b09521","","","0.71073","MoKα","","0.0389","0.0299","","","0.0617","0.0665","","","","","","1.032","","","","has coordinates","241906","2020-10-21","18:00:00",""
"4131738","11.5041","0.001","11.5417","0.001","16.7043","0.0015","100.352","0.0015","98.519","0.0015","114.706","0.0014","1919.3","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","tris(tris(dimethylsilyl)methyl)cerium","","- C21 H63 Ce Si9 -","- C21 H63 Ce Si9 -","- C42 H126 Ce2 Si18 -","2","1","","Pindwal, Aradhana; Yan, KaKing; Patnaik, Smita; Schmidt, Bradley M.; Ellern, Arkady; Slowing, Igor I.; Bae, Cheolbeom; Sadow, Aaron D.","Homoleptic Trivalent Tris(alkyl) Rare Earth Compounds.","Journal of the American Chemical Society","2017","139","46","16862","16874","10.1021/jacs.7b09521","","","0.71073","MoKα","","0.0419","0.0304","","","0.0744","0.0829","","","","","","0.786","","","","has coordinates","241907","2020-10-21","18:00:00",""
"4131739","11.9911","0.0009","8.7896","0.0006","12.6256","0.0012","90","","100.063","0.008","90","","1310.23","0.19","169.9","","169.9","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H30 Br2 Co N4 -","- C27 H30 Br2 Co N4 -","- C54 H60 Br4 Co2 N8 -","2","1","","Guo, Jun; Cheng, Biao; Shen, Xuzhong; Lu, Zhan","Cobalt-Catalyzed Asymmetric Sequential Hydroboration/Hydrogenation of Internal Alkynes.","Journal of the American Chemical Society","2017","139","43","15316","15319","10.1021/jacs.7b09832","","","0.71073","MoKα","","0.0721","0.0593","","","0.1322","0.1449","","","","","","1.039","","","","has coordinates","241908","2020-10-21","18:00:00",""
"4131740","10.5943","0.0005","16.009","0.0006","21.0879","0.0011","90","","90.706","0.004","90","","3576.3","0.3","183.1","","183.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H46 Cl2 Co N4 -","- C38 H46 Cl2 Co N4 -","- C152 H184 Cl8 Co4 N16 -","4","2","","Guo, Jun; Cheng, Biao; Shen, Xuzhong; Lu, Zhan","Cobalt-Catalyzed Asymmetric Sequential Hydroboration/Hydrogenation of Internal Alkynes.","Journal of the American Chemical Society","2017","139","43","15316","15319","10.1021/jacs.7b09832","","","0.7107","MoKα","","0.0943","0.054","","","0.0808","0.0972","","","","","","0.993","","","","has coordinates","241909","2020-10-21","18:00:00",""
"4131741","8.5539","0.0006","7.6851","0.0005","10.5736","0.0007","90","","113.779","0.004","90","","636.08","0.08","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C28 H40 O6 -","2","1","","Zeng, Mingshuo; Murphy, Stephen K.; Herzon, Seth B.","Development of a Modular Synthetic Route to (+)-Pleuromutilin, (+)-12-epi-Mutilins, and Related Structures.","Journal of the American Chemical Society","2017","139","45","16377","16388","10.1021/jacs.7b09869","","","1.54178","CuKα","","0.0274","0.0272","","","0.0716","0.0717","","","","","","1.084","","","","has coordinates","241910","2020-10-21","18:00:00",""
"4131742","8.7851","0.0006","7.3139","0.0005","10.2839","0.0007","90","","90.77","0.004","90","","660.72","0.08","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C28 H38 N2 O6 -","2","1","","Zeng, Mingshuo; Murphy, Stephen K.; Herzon, Seth B.","Development of a Modular Synthetic Route to (+)-Pleuromutilin, (+)-12-epi-Mutilins, and Related Structures.","Journal of the American Chemical Society","2017","139","45","16377","16388","10.1021/jacs.7b09869","","","1.54178","CuKα","","0.0283","0.0268","","","0.0686","0.0694","","","","","","1.081","","","","has coordinates","241911","2020-10-21","18:00:00",""
"4131743","7.557","0.0005","11.6693","0.0008","21.4501","0.0015","90","","90","","90","","1891.6","0.2","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C88 H128 O16 -","4","1","","Zeng, Mingshuo; Murphy, Stephen K.; Herzon, Seth B.","Development of a Modular Synthetic Route to (+)-Pleuromutilin, (+)-12-epi-Mutilins, and Related Structures.","Journal of the American Chemical Society","2017","139","45","16377","16388","10.1021/jacs.7b09869","","","1.54178","CuKα","","0.0245","0.024","","","0.0606","0.0609","","","","","","1.053","","","","has coordinates","241912","2020-10-21","18:00:00",""
"4131744","17.4551","0.0002","25.0058","0.0003","33.3734","0.0003","90","","90","","90","","14566.8","0.3","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O3 Si -","- C26 H42 O3 Si -","- C624 H1008 O72 Si24 -","24","6","","Zeng, Mingshuo; Murphy, Stephen K.; Herzon, Seth B.","Development of a Modular Synthetic Route to (+)-Pleuromutilin, (+)-12-epi-Mutilins, and Related Structures.","Journal of the American Chemical Society","2017","139","45","16377","16388","10.1021/jacs.7b09869","","","1.54184","CuKα","","0.0389","0.0364","","","0.0894","0.0912","","","","","","1.016","","","","has coordinates,has disorder","241913","2020-10-21","18:00:00",""
"4131745","12.1338","0.0002","17.6931","0.0004","18.5004","0.0004","90","","103.389","0.002","90","","3863.8","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 F12 Mo O6 Si -","- C30 H44 F12 Mo O6 Si -","- C120 H176 F48 Mo4 O24 Si4 -","4","1","","Estes, Deven P.; Gordon, Christopher P.; Fedorov, Alexey; Liao, Wei-Chih; Ehrhorn, Henrike; Bittner, Celine; Zier, Manuel Luca; Bockfeld, Dirk; Chan, Ka Wing; Eisenstein, Odile; Raynaud, Christophe; Tamm, Matthias; Copéret, Christophe","Molecular and Silica-Supported Molybdenum Alkyne Metathesis Catalysts: Influence of Electronics and Dynamics on Activity Revealed by Kinetics, Solid-State NMR, and Chemical Shift Analysis.","Journal of the American Chemical Society","2017","139","48","17597","17607","10.1021/jacs.7b09934","","","1.54184","CuKα","","0.0434","0.0354","","","0.0817","0.0854","","","","","","1.044","","","","has coordinates","241914","2020-10-21","18:00:00",""
"4131746","14.2097","0.0006","16.6236","0.0008","11.1509","0.0006","90","","90","","90","","2634","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H9 F27 Mo O3 -","- C18 H9 F27 Mo O3 -","- C72 H36 F108 Mo4 O12 -","4","0.5","","Estes, Deven P.; Gordon, Christopher P.; Fedorov, Alexey; Liao, Wei-Chih; Ehrhorn, Henrike; Bittner, Celine; Zier, Manuel Luca; Bockfeld, Dirk; Chan, Ka Wing; Eisenstein, Odile; Raynaud, Christophe; Tamm, Matthias; Copéret, Christophe","Molecular and Silica-Supported Molybdenum Alkyne Metathesis Catalysts: Influence of Electronics and Dynamics on Activity Revealed by Kinetics, Solid-State NMR, and Chemical Shift Analysis.","Journal of the American Chemical Society","2017","139","48","17597","17607","10.1021/jacs.7b09934","","","1.54184","CuKα","","0.0328","0.0298","","","0.0792","0.0827","","","","","","1.036","","","","has coordinates,has disorder","241914","2020-10-21","18:00:00",""
"4131747","9.9392","0.0002","10.796","0.0002","32.3003","0.0004","90","","96.08","0.001","90","","3446.44","0.1","80","1","80","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C176 H184 N8 O16 -","8","1","","Liu, Qi-Sheng; Wang, De-Yin; Yang, Zhi-Jun; Luan, Yu-Xin; Yang, Jin-Fei; Li, Jiang-Fei; Pu, You-Ge; Ye, Mengchun","Ni-Al Bimetallic Catalyzed Enantioselective Cycloaddition of Cyclopropyl Carboxamide with Alkyne.","Journal of the American Chemical Society","2017","139","50","18150","18153","10.1021/jacs.7b09947","","x-ray","1.54184","CuKα","","0.0384","0.0365","","","0.0934","0.0945","","","","","","1.074","","","","has coordinates,has disorder","241915","2020-10-21","18:00:00",""
"4131748","7.7335","0.0001","14.1534","0.0002","14.5834","0.0002","77.005","0.001","87.584","0.001","89.69","0.001","1553.95","0.04","291","2","291","2","","","","","","","","3","P 1","P 1","1","","","","- C36 H54 O -","- C36 H54 O -","- C72 H108 O2 -","2","2","","Wang, Guang-Zu; Shang, Rui; Cheng, Wan-Min; Fu, Yao","Irradiation-Induced Heck Reaction of Unactivated Alkyl Halides at Room Temperature.","Journal of the American Chemical Society","2017","139","50","18307","18312","10.1021/jacs.7b10009","","","1.54184","CuKα","","0.055","0.0517","","","0.1471","0.1517","","","","","","1.061","","","","has coordinates","241916","2020-10-21","18:00:00",""
"4131749","8.1835","0.0006","14.6901","0.001","11.1371","0.0008","90","","90.394","0.004","90","","1338.83","0.16","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Cl N2 -","- C14 H17 Cl N2 -","- C56 H68 Cl4 N8 -","4","1","","Tay, Nicholas E. S.; Nicewicz, David A.","Cation Radical Accelerated Nucleophilic Aromatic Substitution via Organic Photoredox Catalysis.","Journal of the American Chemical Society","2017","139","45","16100","16104","10.1021/jacs.7b10076","","","1.54178","CuKα","","0.0368","0.0332","","","0.0873","0.0903","","","","","","1.039","","","","has coordinates","241917","2020-10-21","18:00:00",""
"4131750","13.4033","0.0014","7.6867","0.0004","17.4828","0.0014","90","","92.257","0.009","90","","1799.8","0.3","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Cl4 N4 O8 Pb2 -","- C32 H32 Cl4 N4 O8 Pb2 -","- C64 H64 Cl8 N8 O16 Pb4 -","2","0.5","","Sun, Cai; Xu, Gang; Jiang, Xiao-Ming; Wang, Guan-E; Guo, Pei-Yu; Wang, Ming-Sheng; Guo, Guo-Cong","Design Strategy for Improving Optical and Electrical Properties and Stability of Lead-Halide Semiconductors.","Journal of the American Chemical Society","2018","140","8","2805","2811","10.1021/jacs.7b10101","","","0.71073","MoKα","","0.1103","0.0768","","","0.178","0.2071","","","","","","1.049","","","","has coordinates","241918","2020-10-21","18:00:00",""
"4131751","4.3181","0.001","22.051","0.006","25.387","0.006","90","","90","","90","","2417.3","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl6 N2 O5 Pb3 -","- C16 H18 Cl6 N2 O5 Pb3 -","- C64 H72 Cl24 N8 O20 Pb12 -","4","1","","Sun, Cai; Xu, Gang; Jiang, Xiao-Ming; Wang, Guan-E; Guo, Pei-Yu; Wang, Ming-Sheng; Guo, Guo-Cong","Design Strategy for Improving Optical and Electrical Properties and Stability of Lead-Halide Semiconductors.","Journal of the American Chemical Society","2018","140","8","2805","2811","10.1021/jacs.7b10101","","","0.71073","MoKα","","0.0451","0.0374","","","0.0962","0.1004","","","","","","0.925","","","","has coordinates","241919","2020-10-21","18:00:00",""
"4131752","9.9474","0.0002","10.9082","0.0002","15.4415","0.0003","90","","90","","90","","1675.53","0.06","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O9 -","- C16 H22 O9 -","- C64 H88 O36 -","4","1","","Zhao, Jin-Xin; Yu, Yan-Yan; Wang, Sha-Sha; Huang, Su-Ling; Shen, Yu; Gao, Xin-Hua; Sheng, Li; Li, Jing-Ya; Leng, Ying; Li, Jia; Yue, Jian-Min","Structural Elucidation and Bioinspired Total Syntheses of Ascorbylated Diterpenoid Hongkonoids A-D.","Journal of the American Chemical Society","2018","140","7","2485","2492","10.1021/jacs.7b10135","","","1.54178","CuKα","","0.0332","0.0328","","","0.1011","0.102","","","","","","0.987","","","","has coordinates","241920","2020-10-21","18:00:00",""
"4131753","29.65","0.0018","17.669","0.0012","31.499","0.002","90","","105.974","0.002","90","","15864.7","1.8","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C174 H222 B6 Fe K N6 O12 -","- C174 H222 B6 Fe K N6 O12 -","- C696 H888 B24 Fe4 K4 N24 O48 -","4","0.5","","Wang, Lei; Li, Jing; Zhang, Li; Fang, Yong; Chen, Chao; Zhao, Yue; Song, You; Deng, Liang; Tan, Gengwen; Wang, Xinping; Power, Philip P.","Isolable Borane-Based Diradical and Triradical Fused by a Diamagnetic Transition Metal Ion.","Journal of the American Chemical Society","2017","139","49","17723","17726","10.1021/jacs.7b10141","","","0.71073","MoKα","","0.0721","0.0626","","","0.1731","0.1844","","","","","","1.03","","","","has coordinates,has disorder","241921","2020-10-21","18:00:00",""
"4131754","14.0035","0.0012","17.0728","0.0014","28.873","0.002","82.992","0.002","82.381","0.003","73.241","0.003","6525.8","0.9","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C138 H150 B6 Fe N6 -","- C138 H150 B6 Fe N6 -","- C276 H300 B12 Fe2 N12 -","2","1","","Wang, Lei; Li, Jing; Zhang, Li; Fang, Yong; Chen, Chao; Zhao, Yue; Song, You; Deng, Liang; Tan, Gengwen; Wang, Xinping; Power, Philip P.","Isolable Borane-Based Diradical and Triradical Fused by a Diamagnetic Transition Metal Ion.","Journal of the American Chemical Society","2017","139","49","17723","17726","10.1021/jacs.7b10141","","","0.71073","MoKα","","0.1432","0.0771","","","0.1897","0.2228","","","","","","1.021","","","","has coordinates,has disorder","241922","2020-10-21","18:00:00",""
"4131755","8.5432","0.001","17.447","0.002","13.1073","0.0015","90","","96.302","0.003","90","","1941.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","TriPO-PN","","","- C21 H16 F6 N O P -","- C21 H16 F6 N O P -","- C84 H64 F24 N4 O4 P4 -","4","1","","Wang, Jianguo; Gu, Xinggui; Zhang, Pengfei; Huang, Xiaobo; Zheng, Xiaoyan; Chen, Ming; Feng, Haitao; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong","Ionization and Anion-π<sup>+</sup> Interaction: A New Strategy for Structural Design of Aggregation-Induced Emission Luminogens.","Journal of the American Chemical Society","2017","139","46","16974","16979","10.1021/jacs.7b10150","","","0.71073","MoKα","","0.0865","0.0657","","","0.1634","0.1774","","","","","","1.054","","","","has coordinates","241923","2020-10-21","18:00:00",""
"4131756","7.6381","0.0008","19.931","0.002","20.56","0.002","90","","90","","90","","3130","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","TriPO-C","","","- C21 H15 N O -","- C21 H15 N O -","- C168 H120 N8 O8 -","8","1","","Wang, Jianguo; Gu, Xinggui; Zhang, Pengfei; Huang, Xiaobo; Zheng, Xiaoyan; Chen, Ming; Feng, Haitao; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong","Ionization and Anion-π<sup>+</sup> Interaction: A New Strategy for Structural Design of Aggregation-Induced Emission Luminogens.","Journal of the American Chemical Society","2017","139","46","16974","16979","10.1021/jacs.7b10150","","","0.71073","MoKα","","0.0935","0.0649","","","0.1289","0.1411","","","","","","1.099","","","","has coordinates","241924","2020-10-21","18:00:00",""
"4131757","22.2348","0.0015","12.2611","0.0007","15.1377","0.0009","90","","90","","90","","4126.9","0.4","100","2","99.98","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C37 H56 F3 N2 O3 Os P3 S Si -","- C37 H56 F3 N2 O3 Os P3 S Si -","- C148 H224 F12 N8 O12 Os4 P12 S4 Si4 -","4","1","","Fajardo, Jr, Javier; Peters, Jonas C.","Catalytic Nitrogen-to-Ammonia Conversion by Osmium and Ruthenium Complexes.","Journal of the American Chemical Society","2017","139","45","16105","16108","10.1021/jacs.7b10204","","","0.71073","MoKα","","0.0367","0.0291","","","0.0479","0.0497","","","","","","0.998","","","","has coordinates","241925","2020-10-21","18:00:00",""
"4131758","11.1667","0.0018","11.2875","0.0018","16.677","0.003","100.081","0.006","94.097","0.006","118.576","0.005","1788","0.5","100","2","100.06","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 Os P3 Si -","- C36 H54 Os P3 Si -","- C72 H108 Os2 P6 Si2 -","2","1","","Fajardo, Jr, Javier; Peters, Jonas C.","Catalytic Nitrogen-to-Ammonia Conversion by Osmium and Ruthenium Complexes.","Journal of the American Chemical Society","2017","139","45","16105","16108","10.1021/jacs.7b10204","","","0.71073","MoKα","","0.0247","0.0205","","","0.0483","0.0499","","","","","","1.068","","","","has coordinates","241926","2020-10-21","18:00:00",""
"4131759","7.2463","0.0005","9.548","0.0007","11.2269","0.0008","72.6","0.0018","72.9177","0.0019","86.0255","0.0018","708.37","0.09","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C32 H30 N6 O8 -","2","1","","Hernandez, Lucas W.; Pospech, Jola; Klöckner, Ulrich; Bingham, Tanner W.; Sarlah, David","Synthesis of (+)-Pancratistatins via Catalytic Desymmetrization of Benzene.","Journal of the American Chemical Society","2017","139","44","15656","15659","10.1021/jacs.7b10351","","x-ray","0.71073","MoKα","","0.0334","0.0304","","","0.0747","0.077","","","","","","1.048","","","","has coordinates","241927","2020-10-21","18:00:00",""
"4131760","52.0957","0.0008","52.0957","0.0008","52.0957","0.0008","90","","90","","90","","141386","4","100","0.1","100","0.1","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C468 Ag78 F126 P12 S42 -","- C468 Ag78 F126 P12 S42 -","- C3744 Ag624 F1008 P96 S336 -","8","0.333333","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Deng, Guocheng; Su, Haifeng; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Zheng, Nanfeng","From Racemic Metal Nanoparticles to Optically Pure Enantiomers in One Pot.","Journal of the American Chemical Society","2017","139","45","16113","16116","10.1021/jacs.7b10448","","x-ray","1.54184","CuKα","","0.1594","0.1029","","","0.2785","0.3434","","","","","","1.01","","","","has coordinates","241928","2020-10-21","18:00:00",""
"4131761","43.0185","0.001","48.2191","0.0013","30.0392","0.0007","90","","90","","90","","62311","3","173.01","0.1","173.01","0.1","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C456 H320 Ag78 F126 P12 S42 -","- C456 H320 Ag78 F126 P12 S42 -","- C1824 H1280 Ag312 F504 P48 S168 -","4","0.5","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Deng, Guocheng; Su, Haifeng; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Zheng, Nanfeng","From Racemic Metal Nanoparticles to Optically Pure Enantiomers in One Pot.","Journal of the American Chemical Society","2017","139","45","16113","16116","10.1021/jacs.7b10448","","","1.54184","CuKα","","0.0943","0.0716","","","0.1949","0.2112","","","","","","1.058","","","","has coordinates","241929","2020-10-21","18:00:00",""
"4131762","51.7906","0.0004","51.7906","0.0004","51.7906","0.0004","90","","90","","90","","138916","1.9","119.99","0.1","119.99","0.1","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C468 H348 Ag78 F126 P12 S42 -","- C468 H348 Ag78 F126 P12 S42 -","- C3744 H2784 Ag624 F1008 P96 S336 -","8","0.333333","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Deng, Guocheng; Su, Haifeng; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Zheng, Nanfeng","From Racemic Metal Nanoparticles to Optically Pure Enantiomers in One Pot.","Journal of the American Chemical Society","2017","139","45","16113","16116","10.1021/jacs.7b10448","","x-ray","1.54184","CuKα","","0.0902","0.0615","","","0.1749","0.2142","","","","","","0.914","","","","has coordinates","241930","2020-10-21","18:00:00",""
"4131763","9.914","0.01","16.332","0.014","6.869","0.003","90","","95.66","0.03","90","","1106.8","1.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H11 Br4 Mn N -","- C4 H11 Br4 Mn N -","- C16 H44 Br16 Mn4 N4 -","4","1","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Large Piezoelectric Effect in a Lead-Free Molecular Ferroelectric Thin Film.","Journal of the American Chemical Society","2017","139","49","18071","18077","10.1021/jacs.7b10449","","","0.71073","MoKα","","0.0733","0.052","","","0.0774","0.0843","","","","","","0.859","","","","has coordinates","241931","2020-10-21","18:00:00",""
"4131764","10.031","0.019","10.031","0.019","6.977","0.019","90","","90","","120","","608","2","433","2","433","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C0.21 H0.58 Br0.21 Mn0.05 N0.05 -","- C0.210442 H0.552411 Br0.210505 Mn0.0526316 N0.0526105 -","- C7.9968 H20.9916 Br7.9992 Mn2 N1.9992 -","38","1.58333","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Large Piezoelectric Effect in a Lead-Free Molecular Ferroelectric Thin Film.","Journal of the American Chemical Society","2017","139","49","18071","18077","10.1021/jacs.7b10449","","","0.71073","MoKα","","0.1973","0.1791","","","0.3923","0.4054","","","","","","1.41","","","","has coordinates,has disorder","241932","2020-10-21","18:00:00",""
"4131765","18.2632","0.0003","17.7081","0.0003","21.6183","0.0003","90","","100.067","0.0013","90","","6883.85","0.19","120","0.1","120","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H106 Bi2 N4 O2 S Si4 -","- C62 H106 Bi2 N4 O2 S Si4 -","- C248 H424 Bi8 N16 O8 S4 Si16 -","4","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0467","0.0287","","","0.0561","0.0631","","","","","","1.039","","","","has coordinates,has disorder","241933","2020-10-21","18:00:00",""
"4131766","12.2335","0.0002","16.5506","0.0002","18.8461","0.0002","91.8495","0.0011","90.7584","0.0013","105.556","0.0015","3673.15","0.09","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C62 H106 Bi2 N4 O2 S5 Si4 -","- C56 H92 Bi2 N4 O2 S5 Si4 -","- C112 H184 Bi4 N8 O4 S10 Si8 -","2","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","1.54184","CuKα","","0.0343","0.0327","","","0.0735","0.0742","","","","","","1.112","","","","has coordinates,has disorder","241933","2020-10-21","18:00:00",""
"4131767","8.2256","0.0003","13.5394","0.0005","18.0192","0.0006","101.127","0.003","91.135","0.003","101.759","0.003","1924.09","0.12","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C24 H60 Bi2 N4 O2 S Si4 -","- C24 H60 Bi2 N4 O2 S Si4 -","- C48 H120 Bi4 N8 O4 S2 Si8 -","2","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0454","0.0334","","","0.0595","0.0647","","","","","","1.007","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131768","13.4362","0.0005","10.8026","0.0004","28.5609","0.0008","90","","92.026","0.003","90","","4142.9","0.2","120","0.1","120","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C24 H60 Bi2 N4 O2 S3 Si4 -","- C24 H60 Bi2 N4 O2 S3 Si4 -","- C96 H240 Bi8 N16 O8 S12 Si16 -","4","0.5","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0639","0.0498","","","0.1204","0.128","","","","","","1.081","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131769","15.7886","0.0003","12.3313","0.0002","18.8823","0.0003","90","","106.214","0.0016","90","","3530.05","0.11","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C84 H96 N2 O3 Si2 -","- C84 H96 N2 O3 Si2 -","- C168 H192 N4 O6 Si4 -","2","0.5","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","1.54184","CuKα","","0.0516","0.0467","","","0.1143","0.1185","","","","","","1.056","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131770","23.9315","0.0005","19.534","0.0004","18.5814","0.0003","90","","93.4128","0.0018","90","","8671","0.3","169.99","0.1","169.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H59 Li N O3 Si -","- C48 H59 Li N O3 Si -","- C384 H472 Li8 N8 O24 Si8 -","8","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","1.54184","CuKα","","0.0738","0.0641","","","0.1753","0.1858","","","","","","1.035","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131771","18.0673","0.0003","19.7078","0.0003","24.446","0.0004","90","","90","","90","","8704.4","0.2","120","0.1","120","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C104 H110 Bi Cl N2 O Si2 -","- C104 H110 Bi Cl N2 O Si2 -","- C416 H440 Bi4 Cl4 N8 O4 Si8 -","4","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0307","0.026","","","0.0527","0.0547","","","","","","1.036","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131772","24.5463","0.0006","11.1899","0.0003","23.9777","0.0007","90","","101.928","0.003","90","","6443.8","0.3","120.01","0.1","120.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H78 Bi N2 O Si2 -","- C76 H78 Bi N2 O Si2 -","- C304 H312 Bi4 N8 O4 Si8 -","4","0.5","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0328","0.0271","","","0.0526","0.0549","","","","","","1.059","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131773","12.7552","0.0005","24.9034","0.0007","24.5987","0.0007","90","","103.143","0.004","90","","7609","0.4","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H98 Bi N2 O3 Si2 -","- C76 H78 Bi N2 O Si2 -","- C304 H312 Bi4 N8 O4 Si8 -","4","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","1.54184","CuKα","","0.0757","0.07","","","0.1732","0.1769","","","","","","1.044","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131774","13.8994","0.0003","14.53","0.0002","21.2083","0.0003","108.747","0.0014","92.051","0.0016","108.855","0.0017","3791.42","0.13","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C89 H100 N2 O Si2 -","- C89 H100 N2 O Si2 -","- C178 H200 N4 O2 Si4 -","2","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","1.54184","CuKα","","0.049","0.0439","","","0.1226","0.1266","","","","","","1.054","","","","has coordinates,has disorder","241933","2020-10-21","18:00:00",""
"4131775","10.51169","0.00015","31.3488","0.0005","20.941","0.0003","90","","90.9327","0.0013","90","","6899.75","0.18","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H90 N2 O Pb Si2 -","- C82 H90 N2 O Pb Si2 -","- C328 H360 N8 O4 Pb4 Si8 -","4","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0538","0.0378","","","0.0713","0.0765","","","","","","1.091","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131776","9.9952","0.0002","18.9141","0.0004","20.7293","0.0004","103.009","0.0019","97.9369","0.0018","99.1671","0.0019","3707.38","0.14","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C84 H98 N2 O3 Pb Si2 -","- C84 H98 N2 O3 Pb Si2 -","- C168 H196 N4 O6 Pb2 Si4 -","2","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0338","0.0288","","","0.0688","0.0713","","","","","","1.005","","","","has coordinates,has disorder","241933","2020-10-21","18:00:00",""
"4131777","19.038","0.0002","27.4178","0.0003","29.8069","0.0003","90","","90","","90","","15558.6","0.3","120.01","0.1","120.01","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C90 H94 Bi N2 O S4 Si2 -","- C90 H94 Bi N2 O S4 Si2 -","- C720 H752 Bi8 N16 O8 S32 Si16 -","8","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","1.54184","CuKα","","0.0567","0.0481","","","0.1428","0.1503","","","","","","1.125","","","","has coordinates,has disorder","241933","2020-10-21","18:00:00",""
"4131778","9.2754","0.0003","10.71","0.0004","12.1411","0.0004","90","","101.584","0.002","90","","1181.52","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H34 B N O5 -","- C24 H34 B N O5 -","- C48 H68 B2 N2 O10 -","2","1","","Lovinger, Gabriel J.; Morken, James P.","Ni-Catalyzed Enantioselective Conjunctive Coupling with C(sp<sup>3</sup>) Electrophiles: A Radical-Ionic Mechanistic Dichotomy.","Journal of the American Chemical Society","2017","139","48","17293","17296","10.1021/jacs.7b10519","","","1.54178","CuKα","","0.0499","0.0489","","","0.128","0.1291","","","","","","1.018","","","","has coordinates,has disorder","241934","2020-10-21","18:00:00",""
"4131779","10.3704","0.0011","33.835","0.003","12.9525","0.0012","90","","97.371","0.003","90","","4507.2","0.8","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H66 N4 O Si5 -","- C38 H66 N4 O Si5 -","- C152 H264 N16 O4 Si20 -","4","1","","Wendel, Daniel; Reiter, Dominik; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi; Rieger, Bernhard","Silicon and Oxygen's Bond of Affection: An Acyclic Three-Coordinate Silanone and Its Transformation to an Iminosiloxysilylene.","Journal of the American Chemical Society","2017","139","47","17193","17198","10.1021/jacs.7b10634","","x-ray","0.71073","MoKα","","0.1366","0.0941","","","0.2488","0.2777","","","","","","1.217","","","","has coordinates,has disorder","241935","2020-10-21","18:00:00",""
"4131780","13.987","0.01","21.397","0.015","27.532","0.019","90","","92.58","0.02","90","","8231","10","100","","100","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 N3 O Si2 -","- C39 H63 N3 O Si2 -","- C312 H504 N24 O8 Si16 -","8","2","","Wendel, Daniel; Reiter, Dominik; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi; Rieger, Bernhard","Silicon and Oxygen's Bond of Affection: An Acyclic Three-Coordinate Silanone and Its Transformation to an Iminosiloxysilylene.","Journal of the American Chemical Society","2017","139","47","17193","17198","10.1021/jacs.7b10634","","x-ray","0.71073","MoKα","","0.1059","0.0788","","","0.1647","0.1786","","","","","","1.108","","","","has coordinates,has disorder","241935","2020-10-21","18:00:00",""
"4131781","13.2302","0.0014","11.9923","0.0013","28.62","0.003","90","","96.613","0.003","90","","4510.7","0.8","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H67 N3 O2 Si5 -","- C37 H67 N3 O2 Si5 -","- C148 H268 N12 O8 Si20 -","4","1","","Wendel, Daniel; Reiter, Dominik; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi; Rieger, Bernhard","Silicon and Oxygen's Bond of Affection: An Acyclic Three-Coordinate Silanone and Its Transformation to an Iminosiloxysilylene.","Journal of the American Chemical Society","2017","139","47","17193","17198","10.1021/jacs.7b10634","","x-ray","0.71073","MoKα","","0.0832","0.0563","","","0.1234","0.1342","","","","","","1.082","","","","has coordinates","241935","2020-10-21","18:00:00",""
"4131782","12.4388","0.0005","20.3429","0.0007","20.7659","0.0008","103.477","0.001","99.622","0.001","94.491","0.001","5000.2","0.3","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C43 H75 N5 O Si5 -","- C43 H75 N5 O Si5 -","- C172 H300 N20 O4 Si20 -","4","2","","Wendel, Daniel; Reiter, Dominik; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi; Rieger, Bernhard","Silicon and Oxygen's Bond of Affection: An Acyclic Three-Coordinate Silanone and Its Transformation to an Iminosiloxysilylene.","Journal of the American Chemical Society","2017","139","47","17193","17198","10.1021/jacs.7b10634","","x-ray","0.71073","MoKα","","0.0748","0.0476","","","0.0957","0.1063","","","","","","1.025","","","","has coordinates,has disorder","241935","2020-10-21","18:00:00",""
"4131783","34.475","0.003","10.6878","0.0009","22.191","0.0019","90","","107.847","0.003","90","","7783.1","1.2","100","","100","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 N3 O Si2 -","- C39 H63 N3 O Si2 -","- C312 H504 N24 O8 Si16 -","8","2","","Wendel, Daniel; Reiter, Dominik; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi; Rieger, Bernhard","Silicon and Oxygen's Bond of Affection: An Acyclic Three-Coordinate Silanone and Its Transformation to an Iminosiloxysilylene.","Journal of the American Chemical Society","2017","139","47","17193","17198","10.1021/jacs.7b10634","","x-ray","0.71073","MoKα","","0.0704","0.0491","","","0.1006","0.1084","","","","","","1.081","","","","has coordinates,has disorder","241935","2020-10-21","18:00:00",""
"4131784","14.8468","0.0005","14.9675","0.0005","15.155","0.0005","88.6127","0.0005","86.0449","0.0005","61.5619","0.0004","2954.16","0.17","160","2","160","2","","","","","","","","8","P -1","-P 1","2","","","","- C59 H55 B F15 Mg N6 O2 Si3 -","- C59 H55 B F15 Mg N6 O2 Si3 -","- C118 H110 B2 F30 Mg2 N12 O4 Si6 -","2","1","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.0539","0.0402","","","0.1025","0.1116","","","","","","1.024","","","","has coordinates","241936","2020-10-21","18:00:00",""
"4131785","10.7246","0.0011","16.4283","0.0017","16.4561","0.0017","113.938","0.0013","101.52","0.0015","104.536","0.0015","2411.5","0.4","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H64 N6 Si3 Zn -","- C49 H64 N6 Si3 Zn -","- C98 H128 N12 Si6 Zn2 -","2","1","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.0417","0.0349","","","0.0909","0.0953","","","","","","1.047","","","","has coordinates","241937","2020-10-21","18:00:00",""
"4131786","9.4147","0.0004","18.9452","0.0008","12.4092","0.0005","90","","100.67","0.0006","90","","2175.08","0.16","130","2","130","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44 H58 Mg N6 O2 Si3 -","- C44 H58 Mg N6 O2 Si3 -","- C88 H116 Mg2 N12 O4 Si6 -","2","0.5","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.0536","0.0389","","","0.0948","0.1032","","","","","","1.029","","","","has coordinates","241938","2020-10-21","18:00:00",""
"4131787","26.281","0.0014","29.462","0.0016","18.3223","0.001","90","","90","","90","","14186.8","1.3","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C73 H70 B F15 Mg N6 Si3 -","- C73 H70 B F15 Mg N6 Si3 -","- C584 H560 B8 F120 Mg8 N48 Si24 -","8","1","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.143","0.0616","","","0.1274","0.158","","","","","","1.09","","","","has coordinates","241939","2020-10-21","18:00:00",""
"4131788","11.149","0.0004","12.253","0.0004","17.8168","0.0006","79.2769","0.0005","75.4065","0.0005","65.8128","0.0005","2139.15","0.13","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H54 Br N6 Si3 Zn -","- C40 H54 Br N6 Si3 Zn -","- C80 H108 Br2 N12 Si6 Zn2 -","2","1","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.0938","0.0499","","","0.1038","0.12","","","","","","1.006","","","","has coordinates","241940","2020-10-21","18:00:00",""
"4131789","16.8117","0.0008","23.2859","0.0011","18.0206","0.0008","90","","116.431","0.0006","90","","6317.2","0.5","113","2","113","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H58 B F15 Mg N6 O2 Si3 -","- C62 H58 B F15 Mg N6 O2 Si3 -","- C248 H232 B4 F60 Mg4 N24 O8 Si12 -","4","1","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.0589","0.04","","","0.0965","0.1082","","","","","","1.018","","","","has coordinates","241941","2020-10-21","18:00:00",""
"4131790","15.8196","0.0006","16.1882","0.0007","16.4818","0.0007","87.644","0.001","62.734","0.001","60.921","0.001","3188.1","0.2","130","2","130","2","","","","","","","","7","P 1","P 1","1","","","","- C64 H61 B F15 N6 Si3 Zn -","- C64 H61 B F15 N6 Si3 Zn -","- C128 H122 B2 F30 N12 Si6 Zn2 -","2","2","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.0571","0.051","","","0.1329","0.139","","","","","","1.027","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4131791","23.2934","0.0008","19.8397","0.0008","37.1735","0.0013","90","","100.129","0.002","90","","16911.4","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C195.55 H195.55 Cl10.66 O20 -","- C195.553 H195.553 Cl10.659 O20 -","- C782.212 H782.212 Cl42.636 O80 -","4","1","","Kiel, Gavin R.; Patel, Sajan C.; Smith, Patrick W.; Levine, Daniel S.; Tilley, T. Don","Expanded Helicenes: A General Synthetic Strategy and Remarkable Supramolecular and Solid-State Behavior.","Journal of the American Chemical Society","2017","139","51","18456","18459","10.1021/jacs.7b10902","","","0.7749","","","0.122","0.0979","","","0.2286","0.2418","","","","","","1.126","","","","has coordinates","241943","2020-10-21","18:00:00",""
"4131792","12.9527","0.0007","16.0679","0.0008","16.7417","0.0009","70.269","0.003","77.377","0.003","86.182","0.003","3200.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H70 Cl4 O4 Se3 -","- C80 H70 Cl4 O4 Se3 -","- C160 H140 Cl8 O8 Se6 -","2","1","","Kiel, Gavin R.; Patel, Sajan C.; Smith, Patrick W.; Levine, Daniel S.; Tilley, T. Don","Expanded Helicenes: A General Synthetic Strategy and Remarkable Supramolecular and Solid-State Behavior.","Journal of the American Chemical Society","2017","139","51","18456","18459","10.1021/jacs.7b10902","","","0.7749","","","0.1165","0.0832","","","0.2348","0.2566","","","","","","1.046","","","","has coordinates","241944","2020-10-21","18:00:00",""
"4131793","20.175","0.004","53.239","0.011","54.291","0.011","81.53","0.03","83.58","0.03","81.62","0.03","56818","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C210 H630 Gd70 N40 O540 -","- C210 H290 Gd70 O380 -","- C420 H580 Gd140 O760 -","2","1","","Zheng, Xiu-Ying; Jiang, You-Hong; Zhuang, Gui-Lin; Liu, Da-Peng; Liao, Hong-Gang; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","A Gigantic Molecular Wheel of {Gd<sub>140</sub>}: A New Member of the Molecular Wheel Family.","Journal of the American Chemical Society","2017","139","50","18178","18181","10.1021/jacs.7b11112","","","0.70045","","","0.2047","0.1269","","","0.3581","0.4011","","","","","","1.148","","","","has coordinates","241945","2020-10-21","18:00:00",""
"4131794","8.712","0.0015","14.672","0.003","15.413","0.003","88.518","0.006","86.632","0.007","81.287","0.006","1943.7","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H68 Al Rh Si2 -","- C40 H68 Al Rh Si2 -","- C80 H136 Al2 Rh2 Si4 -","2","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","Aluminabenzene-Rh and -Ir Complexes: Synthesis, Structure, and Application toward Catalytic C-H Borylation.","Journal of the American Chemical Society","2017","139","49","17763","17766","10.1021/jacs.7b11127","","","0.71075","MoKα","","0.083","0.0577","","","0.1155","0.1299","","","","","","1.049","","","","has coordinates","241946","2020-10-21","18:00:00",""
"4131795","8.7203","0.001","14.6657","0.0017","15.3905","0.0018","88.56","0.003","86.647","0.004","81.429","0.003","1942.7","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H68 Al Ir Si2 -","- C40 H68 Al Ir Si2 -","- C80 H136 Al2 Ir2 Si4 -","2","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","Aluminabenzene-Rh and -Ir Complexes: Synthesis, Structure, and Application toward Catalytic C-H Borylation.","Journal of the American Chemical Society","2017","139","49","17763","17766","10.1021/jacs.7b11127","","","0.71075","MoKα","","0.041","0.0346","","","0.0964","0.1059","","","","","","0.775","","","","has coordinates","241946","2020-10-21","18:00:00",""
"4131796","12.7648","0.0015","28.618","0.003","15.3565","0.0017","90","","113.354","0.0018","90","","5150.2","1","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H86 Al N2 Rh Si2 -","- C54 H86 Al N2 Rh Si2 -","- C216 H344 Al4 N8 Rh4 Si8 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","Aluminabenzene-Rh and -Ir Complexes: Synthesis, Structure, and Application toward Catalytic C-H Borylation.","Journal of the American Chemical Society","2017","139","49","17763","17766","10.1021/jacs.7b11127","","","0.71075","MoKα","","0.0538","0.046","","","0.1036","0.1111","","","","","","1.124","","","","has coordinates","241946","2020-10-21","18:00:00",""
"4131797","13.4845","0.0016","14.673","0.0016","14.8811","0.0019","73.347","0.007","71.377","0.007","68.568","0.007","2548.6","0.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C107 H170 Al2 Ir2 N4 Si4 -","- C107 H170 Al2 Ir2 N4 Si4 -","- C107 H170 Al2 Ir2 N4 Si4 -","1","0.5","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","Aluminabenzene-Rh and -Ir Complexes: Synthesis, Structure, and Application toward Catalytic C-H Borylation.","Journal of the American Chemical Society","2017","139","49","17763","17766","10.1021/jacs.7b11127","","","0.71075","MoKα","","0.0747","0.0602","","","0.117","0.1257","","","","","","1.068","","","","has coordinates,has disorder","241946","2020-10-21","18:00:00",""
"4131798","11.3068","0.0009","7.0845","0.0005","23.268","0.002","90","","96.544","0.008","90","","1851.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 N2 S2 -","- C10 H6 N2 S2 -","- C80 H48 N16 S16 -","8","2","","Torre, Cristina de la; Toscani, Anita; Marín-Hernández, Cristina; Robson, Jonathan A.; Terencio, María Carmen; White, Andrew J. P.; Alcaraz, María José; Wilton-Ely, James D E T; Martínez-Máñez, Ramón; Sancenón, Félix","Ex Vivo Tracking of Endogenous CO with a Ruthenium(II) Complex.","Journal of the American Chemical Society","2017","139","51","18484","18487","10.1021/jacs.7b11158","","","0.71073","MoKα","","0.0706","0.0513","","","0.1164","0.1283","","","","","","1.118","","","","has coordinates,has disorder","241948","2020-10-21","18:00:00",""
"4131799","12.1009","0.0004","14.7925","0.0006","17.7731","0.0005","76.557","0.003","82.335","0.002","85.44","0.003","3062.73","0.19","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H53 Cl7 N2 O P2 Ru S2 -","- C65.999 H52.998 Cl6.998 N2 O P2 Ru S2 -","- C131.998 H105.996 Cl13.996 N4 O2 P4 Ru2 S4 -","2","1","","Torre, Cristina de la; Toscani, Anita; Marín-Hernández, Cristina; Robson, Jonathan A.; Terencio, María Carmen; White, Andrew J. P.; Alcaraz, María José; Wilton-Ely, James D E T; Martínez-Máñez, Ramón; Sancenón, Félix","Ex Vivo Tracking of Endogenous CO with a Ruthenium(II) Complex.","Journal of the American Chemical Society","2017","139","51","18484","18487","10.1021/jacs.7b11158","","","1.54184","CuKα","","0.0496","0.0433","","","0.1154","0.121","","","","","","1.039","","","","has coordinates,has disorder","241948","2020-10-21","18:00:00",""
"4131800","10.4363","0.0005","14.945","0.0008","15.1451","0.0008","82.763","0.004","77.136","0.004","88.273","0.004","2284.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H43 Cl3 O2 P2 Ru -","- C55 H43 Cl3 O2 P2 Ru -","- C110 H86 Cl6 O4 P4 Ru2 -","2","1","","Torre, Cristina de la; Toscani, Anita; Marín-Hernández, Cristina; Robson, Jonathan A.; Terencio, María Carmen; White, Andrew J. P.; Alcaraz, María José; Wilton-Ely, James D E T; Martínez-Máñez, Ramón; Sancenón, Félix","Ex Vivo Tracking of Endogenous CO with a Ruthenium(II) Complex.","Journal of the American Chemical Society","2017","139","51","18484","18487","10.1021/jacs.7b11158","","","0.71073","MoKα","","0.0454","0.0348","","","0.0714","0.078","","","","","","1.035","","","","has coordinates","241948","2020-10-21","18:00:00",""
"4131801","9.311","0.002","13.035","0.003","14.124","0.003","98.484","0.007","93.383","0.007","96.918","0.007","1678","0.6","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C68 H98 F6 N2 O Sb -","- C68 H98 F6 N2 O Sb -","- C68 H98 F6 N2 O Sb -","1","1","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","0.71073","MoKα","","0.0292","0.0283","","","0.0681","0.0687","","","","","","1.049","","","","has coordinates,has disorder","241949","2020-10-21","18:00:00",""
"4131802","15.4517","0.0007","9.0569","0.0004","20.8129","0.0009","90","","105.163","0.003","90","","2811.2","0.2","100","","100","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H74 Br6.12 N2 -","- C54 H74 Br6.1204 N2 -","- C108 H148 Br12.2408 N4 -","2","0.5","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","0.71073","MoKα","","0.0541","0.0328","","","0.0704","0.0778","","","","","","1.02","","","","has coordinates,has disorder","241950","2020-10-21","18:00:00",""
"4131803","10.7485","0.0003","13.164","0.0004","17.4642","0.0006","90","","104.046","0.002","90","","2397.18","0.13","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C54 H74 N2 -","- C54 H74 N2 -","- C108 H148 N4 -","2","0.5","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","1.54178","CuKα","","0.0762","0.0537","","","0.1256","0.1429","","","","","","1.052","","","","has coordinates,has disorder","241951","2020-10-21","18:00:00",""
"4131804","12.3025","0.0007","16.8211","0.0009","18.2404","0.001","90.61","0.002","100.148","0.002","99.052","0.003","3666.5","0.4","200","","200","","","","","","","","","3","P 1","P 1","1","","","","- C70 H94 N2 -","- C70 H94 N2 -","- C140 H188 N4 -","2","2","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","1.54178","CuKα","","0.0709","0.0549","","","0.1479","0.1611","","","","","","1.014","","","","has coordinates","241952","2020-10-21","18:00:00",""
"4131805","9.242","0.003","9.965","0.004","15.328","0.006","94.187","0.008","93.093","0.008","95.429","0.008","1398.9","0.9","100","2","100","","","","","","","","","3","P 1","P 1","1","","","","- C64 H90 N2 -","- C64 H90 N2 -","- C64 H90 N2 -","1","1","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","1.54178","CuKα","","0.0421","0.0395","","","0.1013","0.1035","","","","","","1.05","","","","has coordinates,has disorder","241953","2020-10-21","18:00:00",""
"4131806","15.2342","0.0009","9.4798","0.0007","23.3954","0.0016","90","","106.598","0.002","90","","3237.9","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H74 F12 N2 Sb2 -","- C54 H74 F12 N2 Sb2 -","- C108 H148 F24 N4 Sb4 -","2","0.5","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","0.71073","MoKα","","0.0554","0.0398","","","0.0924","0.0998","","","","","","1.049","","","","has coordinates,has disorder","241954","2020-10-21","18:00:00",""
"4131807","9.1599","0.0018","9.876","0.002","15.304","0.003","95.2","0.03","94.29","0.03","92.92","0.03","1372.6","0.5","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C64 H90 N2 -","- C64 H90 N2 -","- C64 H90 N2 -","1","1","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","1.54178","CuKα","","0.0362","0.0347","","","0.0874","0.0888","","","","","","1.032","","","","has coordinates,has disorder","241955","2020-10-21","18:00:00",""
"4131808","9.8881","0.0004","21.821","0.0007","18.424","0.0006","90","","92.142","0.002","90","","3972.5","0.2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H76 Cl4 N6 O4 -","- C70 H76 Cl4 N6 O4 -","- C140 H152 Cl8 N12 O8 -","2","0.5","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","1.54178","CuKα","","0.0814","0.0546","","","0.1374","0.1506","","","","","","1.042","","","","has coordinates,has disorder","241956","2020-10-21","18:00:00",""
"4131809","11.9234","0.0011","14.1307","0.0012","14.189","0.0011","68.637","0.002","67.907","0.002","65.678","0.002","1955.5","0.3","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Au2 F6 P2 -","- C46 H28 Au2 F6 P2 -","- C92 H56 Au4 F12 P4 -","2","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1843","0.0883","","","0.2309","0.3233","","","","","","0.869","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131810","11.9564","0.0013","14.1676","0.0017","14.2228","0.0015","69.048","0.003","67.782","0.003","65.55","0.004","1971.7","0.4","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Au2 F6 P2 -","- C46 H28 Au2 F6 P2 -","- C92 H56 Au4 F12 P4 -","2","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.2031","0.0929","","","0.2329","0.3064","","","","","","1.079","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131811","11.9603","0.0016","14.179","0.002","14.2356","0.0019","68.99","0.003","67.695","0.004","65.533","0.004","1974","0.5","213","","213","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Au2 F6 P2 -","- C46 H28 Au2 F6 P2 -","- C92 H56 Au4 F12 P4 -","2","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.2108","0.1027","","","0.2865","0.3774","","","","","","1.086","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131812","11.9857","0.0016","14.187","0.002","14.267","0.002","69.105","0.004","67.658","0.004","65.451","0.004","1983.3","0.5","233","","233","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Au2 F6 P2 -","- C46 H28 Au2 F6 P2 -","- C92 H56 Au4 F12 P4 -","2","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1981","0.0887","","","0.2599","0.3413","","","","","","0.966","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131813","12.001","0.002","14.205","0.002","14.266","0.002","69.224","0.004","67.495","0.004","65.403","0.004","1986.9","0.5","253","","253","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Au2 F6 P2 -","- C46 H28 Au2 F6 P2 -","- C92 H56 Au4 F12 P4 -","2","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.2139","0.0983","","","0.2721","0.3645","","","","","","1.022","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131814","12.061","0.003","14.19","0.004","14.292","0.004","69.463","0.008","67.245","0.008","65.456","0.006","1998.4","0.9","273","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Au2 F6 P2 -","- C46 H28 Au2 F6 P2 -","- C92 H56 Au4 F12 P4 -","2","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.2135","0.0877","","","0.2554","0.3429","","","","","","0.922","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131815","12.0427","0.0018","14.236","0.002","14.3149","0.0019","69.614","0.003","67.344","0.004","65.315","0.004","2005.7","0.5","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Au2 F6 P2 -","- C46 H28 Au2 F6 P2 -","- C92 H56 Au4 F12 P4 -","2","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.2168","0.0938","","","0.2529","0.355","","","","","","0.815","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131816","30.89","0.002","14.5763","0.0009","19.1589","0.0012","90","","97.7949","0.0015","90","","8546.8","0.9","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Au2 F6 P2 -","- C50 H36 Au2 F6 P2 -","- C400 H288 Au16 F48 P16 -","8","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1196","0.0677","","","0.1862","0.2425","","","","","","0.802","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131817","31.07","0.003","14.5498","0.0011","19.176","0.0014","90","","97.356","0.002","90","","8597.4","1.2","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Au2 F6 P2 -","- C50 H36 Au2 F6 P2 -","- C400 H288 Au16 F48 P16 -","8","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1166","0.0583","","","0.1446","0.1796","","","","","","1.017","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131818","31.171","0.002","14.5681","0.0008","19.2032","0.0011","90","","97.2997","0.0016","90","","8649.5","0.9","213","","213","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Au2 F6 P2 -","- C50 H36 Au2 F6 P2 -","- C400 H288 Au16 F48 P16 -","8","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1265","0.0627","","","0.153","0.189","","","","","","1.074","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131819","31.37","0.008","14.641","0.003","19.272","0.004","90","","97.17","0.004","90","","8782","3","233","","233","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Au2 F6 P2 -","- C50 H36 Au2 F6 P2 -","- C400 H288 Au16 F48 P16 -","8","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1242","0.0606","","","0.1484","0.1809","","","","","","1.048","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131820","31.287","0.002","14.5786","0.001","19.1847","0.0013","90","","97.1376","0.0018","90","","8682.7","1","253","","253","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Au2 F6 P2 -","- C50 H36 Au2 F6 P2 -","- C400 H288 Au16 F48 P16 -","8","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1523","0.0706","","","0.2157","0.2849","","","","","","0.858","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131821","31.368","0.003","14.5952","0.001","19.2014","0.0014","90","","97.0338","0.0018","90","","8724.7","1.2","273","","273","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Au2 F6 P2 -","- C50 H36 Au2 F6 P2 -","- C400 H288 Au16 F48 P16 -","8","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1511","0.0648","","","0.1549","0.1959","","","","","","1.015","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131822","31.414","0.003","14.5653","0.0013","19.2042","0.0017","90","","96.824","0.002","90","","8724.7","1.4","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Au2 F6 P2 -","- C50 H36 Au2 F6 P2 -","- C400 H288 Au16 F48 P16 -","8","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1603","0.0646","","","0.1608","0.2038","","","","","","0.972","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131823","33.0793","0.0005","33.0793","0.0005","34.2247","0.0008","90","","90","","120","","32432.7","1","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C342 H334 Cl16 Co8 N72 O29 -","- C342 H288 Cl13.9998 Co8 N72 O28.9994 -","- C1026 H864 Cl41.9994 Co24 N216 O86.9982 -","3","0.166667","","Cullen, William; Metherell, Alexander J.; Wragg, Ashley B.; Taylor, Christopher G. P.; Williams, Nicholas H.; Ward, Michael D.","Catalysis in a Cationic Coordination Cage Using a Cavity-Bound Guest and Surface-Bound Anions: Inhibition, Activation, and Autocatalysis.","Journal of the American Chemical Society","2018","140","8","2821","2828","10.1021/jacs.7b11334","","","0.71073","MoKα","","0.159","0.1299","","","0.3901","0.4097","","","","","","1.622","","","","has coordinates,has disorder","241958","2020-10-21","18:00:00",""
"4131824","32.939","0.003","29.973","0.002","40.4","0.003","90","","96.126","0.003","90","","39658","5","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C174 H170 B0.5 Co4 F2 I7.5 N36 O14 -","- C174 H152 B0.5 Co4 F2 I7.5 N36 O14 -","- C1392 H1216 B4 Co32 F16 I60 N288 O112 -","8","1","","Cullen, William; Metherell, Alexander J.; Wragg, Ashley B.; Taylor, Christopher G. P.; Williams, Nicholas H.; Ward, Michael D.","Catalysis in a Cationic Coordination Cage Using a Cavity-Bound Guest and Surface-Bound Anions: Inhibition, Activation, and Autocatalysis.","Journal of the American Chemical Society","2018","140","8","2821","2828","10.1021/jacs.7b11334","","","0.71073","MoKα","","0.1656","0.0957","","","0.2535","0.2983","","","","","","1.026","","","","has coordinates,has disorder","241959","2020-10-21","18:00:00",""
"4131825","7.0224","0.0002","11.4699","0.0004","24.6868","0.0008","90","","90","","90","","1988.43","0.11","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 F N O4 -","- C23 H22 F N O4 -","- C92 H88 F4 N4 O16 -","4","1","","Trost, Barry M.; Gnanamani, Elumalai; Tracy, Jacob S.; Kalnmals, Christopher A.","Zn-ProPhenol Catalyzed Enantio- and Diastereoselective Direct Vinylogous Mannich Reactions between α,β- and β,γ-Butenolides and Aldimines.","Journal of the American Chemical Society","2017","139","50","18198","18201","10.1021/jacs.7b11361","","","1.54184","CuKα","","0.0258","0.0254","","","0.0679","0.0681","","","","","","1.039","","","","has coordinates","241960","2020-10-21","18:00:00",""
"4131826","17.9397","0.0019","10.0271","0.001","13.5393","0.0014","90","","90","","90","","2435.5","0.4","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C17 H26 F6 Fe N4 O7 S2 -","- C17 H26 F6 Fe N4 O7 S2 -","- C68 H104 F24 Fe4 N16 O28 S8 -","4","1","","Fan, Ruixi; Serrano-Plana, Joan; Oloo, Williamson N.; Draksharapu, Apparao; Delgado-Pinar, Estefanía; Company, Anna; Martin-Diaconescu, Vlad; Borrell, Margarida; Lloret-Fillol, Julio; García-España, Enrique; Guo, Yisong; Bominaar, Emile L.; Que, Jr, Lawrence; Costas, Miquel; Münck, Eckard","Spectroscopic and DFT Characterization of a Highly Reactive Nonheme Fe<sup>V</sup>-Oxo Intermediate.","Journal of the American Chemical Society","2018","140","11","3916","3928","10.1021/jacs.7b11400","","","0.71073","MoKα","","0.0264","0.0252","","","0.0614","0.062","","","","","","1.053","","","","has coordinates","241961","2020-10-21","18:00:00",""
"4131827","10.0025","0.0003","12.9467","0.0003","16.8634","0.0003","80.333","0.002","76.467","0.002","84.106","0.002","2088.44","0.09","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H39 F3 N6 O8 S Zn2 -","- C38 H39 F3 N6 O8 S Zn2 -","- C76 H78 F6 N12 O16 S2 Zn4 -","2","1","","White, Corey J.; Speelman, Amy L.; Kupper, Claudia; Demeshko, Serhiy; Meyer, Franc; Shanahan, James P.; Alp, E. Ercan; Hu, Michael; Zhao, Jiyong; Lehnert, Nicolai","The Semireduced Mechanism for Nitric Oxide Reduction by Non-Heme Diiron Complexes: Modeling Flavodiiron Nitric Oxide Reductases.","Journal of the American Chemical Society","2018","140","7","2562","2574","10.1021/jacs.7b11464","","","1.54184","CuKα","","0.038","0.0363","","","0.0959","0.0985","","","","","","1.031","","","","has coordinates","241962","2020-10-21","18:00:00",""
"4131828","9.95848","0.0002","13.0629","0.0002","18.7207","0.0003","97.0851","0.0015","97.0567","0.0015","95.8092","0.0016","2381.61","0.07","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H51 F3 Fe2 N6 O9 S -","- C44 H51 F3 Fe2 N6 O9 S -","- C88 H102 F6 Fe4 N12 O18 S2 -","2","1","","White, Corey J.; Speelman, Amy L.; Kupper, Claudia; Demeshko, Serhiy; Meyer, Franc; Shanahan, James P.; Alp, E. Ercan; Hu, Michael; Zhao, Jiyong; Lehnert, Nicolai","The Semireduced Mechanism for Nitric Oxide Reduction by Non-Heme Diiron Complexes: Modeling Flavodiiron Nitric Oxide Reductases.","Journal of the American Chemical Society","2018","140","7","2562","2574","10.1021/jacs.7b11464","","","1.54184","CuKα","","0.0544","0.0522","","","0.1458","0.1494","","","","","","1.046","","","","has coordinates,has disorder","241963","2020-10-21","18:00:00",""
"4131829","33.0713","0.0012","63.499","0.003","32.3807","0.0011","90","","90","","90","","67999","5","230.01","","230.01","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C112 H176 Au21.34 Cu1.66 N S16 -","- C112 H176 Au21.341 Cu1.659 N S16 -","- C1792 H2816 Au341.456 Cu26.544 N16 S256 -","16","1","","Li, Qi; Lambright, Kelly J.; Taylor, Michael G.; Kirschbaum, Kristin; Luo, Tian-Yi; Zhao, Jianbo; Mpourmpakis, Giannis; Mokashi-Punekar, Soumitra; Rosi, Nathaniel L.; Jin, Rongchao","Reconstructing the Surface of Gold Nanoclusters by Cadmium Doping.","Journal of the American Chemical Society","2017","139","49","17779","17782","10.1021/jacs.7b11491","","x-ray","1.54178","CuKα","","0.1072","0.0702","","","0.1685","0.1974","","","","","","1.071","","","","has coordinates","241964","2020-10-21","18:00:00",""
"4131830","11.4694","0.0006","36.8012","0.0018","11.974","0.0006","90","","106.846","0.002","90","","4837.2","0.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H75.66 Nd O3.33 -","- C63 H75.66 Nd O3.33 -","- C252 H302.64 Nd4 O13.32 -","4","1","","Halter, Dominik P.; Palumbo, Chad T.; Ziller, Joseph W.; Gembicky, Milan; Rheingold, Arnold L.; Evans, William J.; Meyer, Karsten","Electrocatalytic H<sub>2</sub>O Reduction with f-Elements: Mechanistic Insight and Overpotential Tuning in a Series of Lanthanide Complexes.","Journal of the American Chemical Society","2018","140","7","2587","2594","10.1021/jacs.7b11532","","x-ray","0.71073","MoKα","","0.0525","0.0461","","","0.0829","0.0844","","","","","","1.35","","","","has coordinates,has disorder","241965","2020-10-21","18:00:00",""
"4131831","19.894","0.003","19.894","0.003","19.894","0.003","90","","90","","90","","7873","2","133","2","133","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C81 H112 K N2 Nd O10 -","- C81 H112 K N2 Nd O10 -","- C324 H448 K4 N8 Nd4 O40 -","4","0.333333","","Halter, Dominik P.; Palumbo, Chad T.; Ziller, Joseph W.; Gembicky, Milan; Rheingold, Arnold L.; Evans, William J.; Meyer, Karsten","Electrocatalytic H<sub>2</sub>O Reduction with f-Elements: Mechanistic Insight and Overpotential Tuning in a Series of Lanthanide Complexes.","Journal of the American Chemical Society","2018","140","7","2587","2594","10.1021/jacs.7b11532","","","0.71073","MoKα","","0.0434","0.0329","","","0.0669","0.0709","","","","","","1.049","","","","has coordinates","241966","2020-10-21","18:00:00",""
"4131832","18.8699","0.0009","18.8699","0.0009","33.0822","0.0013","90","","90","","90","","11779.7","0.9","120","2","120","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","MFM-133(Hf)","","","- C91 H141 Hf3 N9 O25 -","- C46 H34 Hf3 O16 -","- C184 H136 Hf12 O64 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","","1.54184","CuKα","","0.0841","0.052","","","0.1241","0.1339","","","","","","0.907","","","","has coordinates","241967","2020-10-21","18:00:00",""
"4131833","19.5041","0.0013","19.5041","0.0013","32.072","0.003","90","","90","","90","","12200.5","1.6","295","2","295","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 Hf6 O32 -","- C176 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.2378","0.1388","","","0.3201","0.3972","","","","","","1.062","","","","has coordinates","241967","2020-10-21","18:00:00",""
"4131834","19.4378","0.0011","19.4378","0.0011","32.104","0.002","90","","90","","90","","12129.8","1.2","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H68 Hf6 O32 -","- C184 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.165","0.132","","","0.3347","0.3654","","","","","","1.475","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131835","19.3567","0.0016","19.3567","0.0016","32.036","0.004","90","","90","","90","","12003","2","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H68 Hf6 O32 -","- C184 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.2197","0.1606","","","0.402","0.4427","","","","","","1.432","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131836","19.465","0.002","19.465","0.002","32.371","0.005","90","","90","","90","","12265","3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 H68 Hf6 O32 -","- C176 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.415","0.2877","","","0.524","0.6662","","","","","","1.244","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131837","19.343","0.0008","19.343","0.0008","32.3072","0.0019","90","","90","","90","","12087.8","1","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H56 Hf6 O32 -","- C184 H112 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.1321","0.1086","","","0.2772","0.3039","","","","","","1.073","","","","has coordinates","241967","2020-10-21","18:00:00",""
"4131838","19.3785","0.001","19.3785","0.001","32.523","0.002","90","","90","","90","","12213.2","1.2","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C50 H28 Hf3 O16 -","- C200 H112 Hf12 O64 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.1566","0.1084","","","0.295","0.343","","","","","","1.167","","","","has coordinates","241967","2020-10-21","18:00:00",""
"4131839","19.177","0.002","19.177","0.002","32.827","0.005","90","","90","","90","","12072","3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 H68 Hf6 O32 -","- C176 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3583","0.2051","","","0.4583","0.5498","","","","","","0.964","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131840","19.1867","0.0013","19.1867","0.0013","32.543","0.003","90","","90","","90","","11980","1.6","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C96 H68 Hf6 O32 -","- C192 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","","0.71073","MoKα","","0.3713","0.18","","","0.3851","0.4902","","","","","","1.079","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131841","19.1631","0.001","19.1631","0.001","32.547","0.002","90","","90","","90","","11952.1","1.1","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H68 Hf6 O32 -","- C184 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.1699","0.1397","","","0.3629","0.3875","","","","","","1.573","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131842","19.082","0.0012","19.082","0.0012","32.674","0.003","90","","90","","90","","11897.3","1.5","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 H68 Hf6 O32 -","- C176 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.2067","0.1708","","","0.4262","0.4548","","","","","","1.799","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131843","18.9396","0.0011","18.9396","0.0011","32.817","0.002","90","","90","","90","","11771.7","1.2","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H68 Hf6 O32 -","- C184 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.2039","0.1637","","","0.4166","0.4608","","","","","","1.906","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131844","19.079","0.003","19.079","0.003","32.905","0.005","90","","90","","90","","11978","3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 H68 Hf6 O32 -","- C176 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","synchrotron","","0.236","0.145","","","0.331","0.421","","","","","","1.052","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131845","18.932","0.0012","18.932","0.0012","33.138","0.002","90","","90","","90","","11877.3","1.3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H68 Hf6 O32 -","- C184 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.1961","0.1269","","","0.3382","0.3995","","","","","","1.295","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131846","18.8445","0.0013","18.8445","0.0013","32.896","0.003","90","","90","","90","","11681.9","1.6","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C96 H68 Hf6 O32 -","- C192 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.2108","0.1723","","","0.422","0.4635","","","","","","1.824","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131847","18.243","0.002","18.243","0.002","33.845","0.006","90","","90","","90","","11264","3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 H68 Hf6 O32 -","- C176 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.4143","0.2035","","","0.434","0.5424","","","","","","1.339","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131848","19.0173","0.0006","19.0173","0.0006","32.8783","0.0009","90","","90","","90","","11890.7","0.6","120","","120","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","1.54184","CuKα","","0.069","0.0448","","","0.1147","0.1258","","","","","","0.899","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131849","19.4481","0.0019","19.4481","0.0019","32.575","0.006","90","","90","","90","","12321","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3649","0.1801","","","0.374","0.4885","","","","","","0.989","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131850","19.3348","0.0012","19.3348","0.0012","32.768","0.005","90","","90","","90","","12250","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3788","0.2144","","","0.4531","0.5525","","","","","","1.301","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131851","19.188","0.0012","19.188","0.0012","32.964","0.006","90","","90","","90","","12137","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3406","0.178","","","0.3998","0.4999","","","","","","1.293","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131852","19.1326","0.0013","19.1326","0.0013","33.039","0.006","90","","90","","90","","12094","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3791","0.2042","","","0.4157","0.5289","","","","","","1.296","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131853","18.9366","0.0011","18.9366","0.0011","32.864","0.003","90","","90","","90","","11784.9","1.4","293","","293","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.3834","0.145","","","0.3638","0.4959","","","","","","0.937","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131854","19.1146","0.0012","19.1146","0.0012","33.047","0.005","90","","90","","90","","12074","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3472","0.1776","","","0.3963","0.5058","","","","","","1.271","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131855","19.0765","0.0014","19.0765","0.0014","33.061","0.005","90","","90","","90","","12031","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3804","0.191","","","0.4183","0.5421","","","","","","1.3","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131856","19.037","0.0014","19.037","0.0014","33.159","0.005","90","","90","","90","","12017","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3506","0.1662","","","0.382","0.4981","","","","","","1.18","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131857","19.0243","0.0015","19.0243","0.0015","33.174","0.006","90","","90","","90","","12006","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3295","0.1638","","","0.3932","0.4967","","","","","","1.217","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131858","19.041","0.0014","19.041","0.0014","33.134","0.006","90","","90","","90","","12013","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3397","0.1642","","","0.3871","0.4932","","","","","","1.204","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131859","19.0375","0.0016","19.0375","0.0016","33.133","0.006","90","","90","","90","","12008","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.2268","0.1198","","","0.34","0.4225","","","","","","1.085","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131860","19.0042","0.0019","19.0042","0.0019","33.152","0.007","90","","90","","90","","11973","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3408","0.1411","","","0.3478","0.4666","","","","","","1.071","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131861","18.779","0.003","18.779","0.003","33.087","0.007","90","","90","","90","","11668","4","293","","293","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.302","0.1109","","","0.2928","0.3934","","","","","","0.9","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131862","18.8806","0.001","18.8806","0.001","33.2413","0.0018","90","","90","","90","","11849.8","1.1","293","","293","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.1607","0.1168","","","0.3625","0.4047","","","","","","1.352","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131863","18.9111","0.0011","18.9111","0.0011","33.1966","0.0017","90","","90","","90","","11872.1","1.2","293","","293","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.2495","0.2185","","","0.5607","0.5855","","","","","","2.211","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131864","18.9092","0.0011","18.9092","0.0011","33.2222","0.0018","90","","90","","90","","11878.9","1.2","293","","293","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.1488","0.1018","","","0.3283","0.3709","","","","","","1.219","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131865","19.1734","0.0016","19.1734","0.0016","33.032","0.006","90","","90","","90","","12143","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.2984","0.1407","","","0.3593","0.4563","","","","","","1.135","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131866","19.28","0.0017","19.28","0.0017","32.89","0.006","90","","90","","90","","12226","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.2951","0.1447","","","0.3597","0.4517","","","","","","1.125","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131867","29.854","0.005","10.5623","0.0015","23.234","0.006","90","","129.007","0.008","90","","5693","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 B F10 N -","- C29 H28 B F10 N -","- C232 H224 B8 F80 N8 -","8","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","1.54178","CuKα","","0.0867","0.0526","","","0.1107","0.1281","","","","","","1.032","","","","has coordinates,has disorder","241969","2020-10-21","18:00:00",""
"4131868","30.8901","0.0008","10.7574","0.0003","23.1166","0.0009","90","","129.511","0.001","90","","5926.4","0.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 B F10 N -","- C30 H32 B F10 N -","- C240 H256 B8 F80 N8 -","8","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","0.71073","MoKα","","0.0996","0.0596","","","0.1129","0.1329","","","","","","1.08","","","","has coordinates,has disorder","241969","2020-10-21","18:00:00",""
"4131869","16.6005","0.0008","15.9553","0.0008","22.3028","0.001","90","","108.385","0.002","90","","5605.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 B F15 N -","- C30 H21 B F15 N -","- C240 H168 B8 F120 N8 -","8","2","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","1.54178","CuKα","","0.1005","0.0554","","","0.1292","0.1527","","","","","","1.028","","","","has coordinates","241969","2020-10-21","18:00:00",""
"4131870","13.1325","0.0004","14.4932","0.0004","16.2201","0.0005","90","","107.206","0.001","90","","2949.04","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 B F10 N -","- C32 H30 B F10 N -","- C128 H120 B4 F40 N4 -","4","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","1.54178","CuKα","","0.0564","0.0441","","","0.0948","0.1002","","","","","","1.07","","","","has coordinates","241969","2020-10-21","18:00:00",""
"4131871","9.4038","0.0003","10.8415","0.0003","18.5386","0.0006","96.508","0.001","101.595","0.001","105.266","0.001","1758.27","0.09","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 B F10 N -","- C40 H34 B F10 N -","- C80 H68 B2 F20 N2 -","2","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","0.71073","MoKα","","0.0836","0.0639","","","0.1293","0.1458","","","","","","1.101","","","","has coordinates","241969","2020-10-21","18:00:00",""
"4131872","21.1713","0.0005","9.5824","0.0002","20.2501","0.0003","90","","117.812","0.0001","90","","3633.61","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 B F10 N O -","- C42 H36 B F10 N O -","- C168 H144 B4 F40 N4 O4 -","4","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","0.71073","MoKα","","0.0914","0.0581","","","0.1004","0.1151","","","","","","1.05","","","","has coordinates","241969","2020-10-21","18:00:00",""
"4131873","13.959","0.0003","14.6616","0.0003","17.3506","0.0004","90","","102.255","0.001","90","","3470.08","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 B F10 N O -","- C38 H36 B F10 N O -","- C152 H144 B4 F40 N4 O4 -","4","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","1.54178","CuKα","","0.0462","0.0374","","","0.0942","0.099","","","","","","1.048","","","","has coordinates","241969","2020-10-21","18:00:00",""
"4131874","10.0116","0.0002","10.3869","0.0002","16.58","0.0005","75.778","0.001","79.29","0.001","83.508","0.002","1638.07","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H36 B F10 N O -","- C37 H36 B F10 N O -","- C74 H72 B2 F20 N2 O2 -","2","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","0.71073","MoKα","","0.0651","0.0511","","","0.1079","0.1186","","","","","","1.097","","","","has coordinates,has disorder","241969","2020-10-21","18:00:00",""
"4131875","11.3453","0.0011","12.0116","0.0012","16.1572","0.0017","74.992","0.005","72.799","0.005","85.628","0.005","2031.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H42 B2 F15 N -","- C43 H42 B2 F15 N -","- C86 H84 B4 F30 N2 -","2","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","1.54178","CuKα","","0.0754","0.0517","","","0.1275","0.1382","","","","","","1.046","","","","has coordinates","241969","2020-10-21","18:00:00",""
"4131876","34.8679","0.0016","34.8679","0.0016","14.1884","0.0009","90","","90","","90","","17249.8","1.6","150","2","150","2","","","","","","","","8","P 42/n :2","-P 4bc","86","","","","- C46 H248 N23 Na9 O254 P4 Se4 W64 -","- C24 N12 Na5 O249.4 P4 Se4 W64 -","- C48 N24 Na10 O498.8 P8 Se8 W128 -","2","0.25","","Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy","Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters.","Journal of the American Chemical Society","2018","140","7","2595","2601","10.1021/jacs.7b11982","","","0.71073","MoKα","","0.0788","0.0588","","","0.1309","0.1488","","","","","","1.196","","","","has coordinates","241970","2020-10-21","18:00:00",""
"4131877","15.2204","0.0006","37.8175","0.0016","29.2768","0.0013","90","","103.518","0.002","90","","16384.8","1.2","150","2","150","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C26 H168 N13 Na19 O254 P4 Te4 W64 -","- C1.6 N0.9 Na4.2 O264.3 P4 Te4 W64 -","- C3.2 N1.8 Na8.4 O528.6 P8 Te8 W128 -","2","0.5","","Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy","Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters.","Journal of the American Chemical Society","2018","140","7","2595","2601","10.1021/jacs.7b11982","","","0.71073","MoKα","","0.1198","0.0979","","","0.2011","0.214","","","","","","1.253","","","","has coordinates","241971","2020-10-21","18:00:00",""
"4131878","34.7924","0.0017","34.7924","0.0017","14.1405","0.0009","90","","90","","90","","17117.2","1.6","150","2","150","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C30 H188 N15 Na17 O254 P8 W64 -","- C19.2 N9.6 O241.2 P8 W64 -","- C38.4 N19.2 O482.4 P16 W128 -","2","0.25","","Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy","Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters.","Journal of the American Chemical Society","2018","140","7","2595","2601","10.1021/jacs.7b11982","","","0.71073","MoKα","","0.1571","0.0855","","","0.181","0.2189","","","","","","1.12","","","","has coordinates","241972","2020-10-21","18:00:00",""
"4131879","57.258","0.003","15.0627","0.0008","77.278","0.004","90","","91.453","0.006","90","","66628","6","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H276 As4 N19 Na17 O284 P4 W64 -","- C6.7 As4 N3.35 Na8.55 O276.85 P4 W64 -","- C53.6 As32 N26.8 Na68.4 O2214.8 P32 W512 -","8","1","","Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy","Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters.","Journal of the American Chemical Society","2018","140","7","2595","2601","10.1021/jacs.7b11982","","","0.71073","MoKα","","0.1195","0.0693","","","0.1527","0.1804","","","","","","1.029","","","","has coordinates","241973","2020-10-21","18:00:00",""
"4131880","18.981","0.005","25.97","0.007","21.424","0.006","90","","110.983","0.004","90","","9860","5","100","2","100","2","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C260 H378 Cl12 N56 O71.5 S14 -","- C260 H378 Cl12 N56 O71.5 S14 -","- C260 H378 Cl12 N56 O71.5 S14 -","1","0.5","","Teng, Peng; Niu, Zheng; She, Fengyu; Zhou, Mi; Sang, Peng; Gray, Geoffrey M.; Verma, Gaurav; Wojtas, Lukasz; van der Vaart, Arjan; Ma, Shengqian; Cai, Jianfeng","Hydrogen-Bonding-Driven 3D Supramolecular Assembly of Peptidomimetic Zipper.","Journal of the American Chemical Society","2018","140","17","5661","5665","10.1021/jacs.7b11997","","","0.44281","synchrotron","","0.1665","0.1308","","","0.3394","0.3905","","","","","","1.029","","","","has coordinates,has disorder","241974","2020-10-21","18:00:00",""
"4131881","17.0979","0.0005","17.0979","0.0005","28.8128","0.0011","90","","90","","90","","8423.1","0.5","100","2","99.99","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C123 H166 Cl7 N33 O30 S7 -","- C123 H166 Cl7 N33 O30 S7 -","- C246 H332 Cl14 N66 O60 S14 -","2","0.25","","Teng, Peng; Niu, Zheng; She, Fengyu; Zhou, Mi; Sang, Peng; Gray, Geoffrey M.; Verma, Gaurav; Wojtas, Lukasz; van der Vaart, Arjan; Ma, Shengqian; Cai, Jianfeng","Hydrogen-Bonding-Driven 3D Supramolecular Assembly of Peptidomimetic Zipper.","Journal of the American Chemical Society","2018","140","17","5661","5665","10.1021/jacs.7b11997","","","1.54178","CuKα","","0.1558","0.1106","","","0.3013","0.3544","","","","","","1.094","","","","has coordinates,has disorder","241975","2020-10-21","18:00:00",""
"4131882","10.8594","0.0011","19.4976","0.0016","37.261","0.003","90","","96.961","0.002","90","","7831.2","1.2","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C50 H39 F4 Ni P -","- C50 H39 F4 Ni P -","- C400 H312 F32 Ni8 P8 -","8","2","","Kawashima, Takuya; Ohashi, Masato; Ogoshi, Sensuke","Nickel-Catalyzed Formation of 1,3-Dienes via a Highly Selective Cross-Tetramerization of Tetrafluoroethylene, Styrenes, Alkynes, and Ethylene.","Journal of the American Chemical Society","2017","139","49","17795","17798","10.1021/jacs.7b12007","","","0.71075","MoKα","","0.1206","0.0733","","","0.0941","0.1057","","","","","","1.006","","","","has coordinates","241976","2020-10-21","18:00:00",""
"4131883","31.446","0.006","31.446","0.006","49.095","0.009","90","","90","","120","","42043","14","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C252 H246 Ag26 P6 Pt S18 -","- C252 H246 Ag26 P6 Pt S18 -","- C1512 H1476 Ag156 P36 Pt6 S108 -","6","0.166667","","He, Lizhong; Yuan, Jinyun; Xia, Nan; Liao, Lingwen; Liu, Xu; Gan, Zibao; Wang, Chengming; Yang, Jinlong; Wu, Zhikun","Kernel Tuning and Nonuniform Influence on Optical and Electrochemical Gaps of Bimetal Nanoclusters.","Journal of the American Chemical Society","2018","140","10","3487","3490","10.1021/jacs.7b12083","","","0.71073","MoKα","","0.0626","0.0521","","","0.1195","0.1262","","","","","","1.107","","","","has coordinates","241977","2020-10-21","18:00:00",""
"4131884","6.1913","0.0008","8.7775","0.001","17.654","0.002","90","","96.821","0.006","90","","952.6","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","1","","Tsai, Erica Y.; Liu, Richard Y.; Yang, Yang; Buchwald, Stephen L.","A Regio- and Enantioselective CuH-Catalyzed Ketone Allylation with Terminal Allenes.","Journal of the American Chemical Society","2018","140","6","2007","2011","10.1021/jacs.7b12271","","","1.54178","CuKα","","0.0359","0.035","","","0.0943","0.0952","","","","","","1.06","","","","has coordinates,has disorder","241978","2020-10-21","18:00:00",""
"4131885","10.9587","0.0004","19.3545","0.0007","19.5983","0.0009","90","","96.063","0.002","90","","4133.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H60 B6 O12 -","- C36 H60 B6 O12 -","- C144 H240 B24 O48 -","4","1","","Yan, Lu; Meng, Yan; Haeffner, Fredrik; Leon, Robert M.; Crockett, Michael P.; Morken, James P.","Carbohydrate/DBU Cocatalyzed Alkene Diboration: Mechanistic Insight Provides Enhanced Catalytic Efficiency and Substrate Scope.","Journal of the American Chemical Society","2018","140","10","3663","3673","10.1021/jacs.7b12316","","","1.54178","CuKα","","0.1049","0.0667","","","0.1701","0.1951","","","","","","1.026","","","","has coordinates,has disorder","241979","2020-10-21","18:00:00",""
"4131886","6.4976","0.0003","14.353","0.0007","24.8911","0.0012","90","","90","","90","","2321.35","0.19","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H23 Au F3 N O2 -","- C26 H23 Au F3 N O2 -","- C104 H92 Au4 F12 N4 O8 -","4","1","","Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime","Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color.","Journal of the American Chemical Society","2018","140","8","2875","2879","10.1021/jacs.7b12455","","","0.71073","MoKα","","0.0533","0.0369","","","0.0767","0.0812","","","","","","1.022","","","","has coordinates,has disorder","241980","2020-10-21","18:00:00",""
"4131887","6.5333","0.0002","14.3788","0.0004","24.7773","0.0012","90","","90","","90","","2327.6","0.15","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H23 Au F3 N O2 -","- C26 H23 Au F3 N O2 -","- C104 H92 Au4 F12 N4 O8 -","4","1","","Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime","Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color.","Journal of the American Chemical Society","2018","140","8","2875","2879","10.1021/jacs.7b12455","","","0.71073","MoKα","","0.0445","0.0331","","","0.0714","0.0754","","","","","","1.055","","","","has coordinates,has disorder","241980","2020-10-21","18:00:00",""
"4131888","8.7329","0.0002","9.2722","0.0002","11.9521","0.0003","87.876","0.002","81.512","0.002","82.835","0.002","949.55","0.04","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Au F3 N -","- C24 H15 Au F3 N -","- C48 H30 Au2 F6 N2 -","2","1","","Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime","Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color.","Journal of the American Chemical Society","2018","140","8","2875","2879","10.1021/jacs.7b12455","","","0.71073","MoKα","","0.0212","0.0195","","","0.0448","0.0452","","","","","","1.064","","","","has coordinates","241980","2020-10-21","18:00:00",""
"4131889","8.7264","0.0006","9.3243","0.0006","11.9764","0.0009","87.967","0.002","81.741","0.002","82.7141","0.0019","956.45","0.12","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Au F3 N -","- C24 H15 Au F3 N -","- C48 H30 Au2 F6 N2 -","2","1","","Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime","Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color.","Journal of the American Chemical Society","2018","140","8","2875","2879","10.1021/jacs.7b12455","","","0.71075","MoKα","","0.0784","0.0746","","","0.1792","0.1899","","","","","","1.072","","","","has coordinates","241980","2020-10-21","18:00:00",""
"4131890","10.9543","0.0002","23.5971","0.0006","20.4838","0.0006","90","","95.962","0.002","90","","5266.2","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C88 H142 N8 Ni2 O12 -","- C88 H142 N8 Ni2 O12 -","- C176 H284 N16 Ni4 O24 -","2","1","","Lin, Xiaobin; Tang, Yu; Yang, Wei; Tan, Fei; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Chiral Nickel(II) Complex Catalyzed Enantioselective Doyle-Kirmse Reaction of α-Diazo Pyrazoleamides.","Journal of the American Chemical Society","2018","140","9","3299","3305","10.1021/jacs.7b12486","","x-ray","1.54184","CuKα","","0.0951","0.0699","","","0.1958","0.2174","","","","","","1.061","","","","has coordinates","241981","2020-10-21","18:00:00",""
"4131891","12.783","0.012","9.491","0.009","17.67","0.017","90","","90","","90","","2144","4","333","2","333","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H12 Br6 Cd N2 -","- C8 H12 Br6 Cd N2 -","- C32 H48 Br24 Cd4 N8 -","4","0.5","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response.","Journal of the American Chemical Society","2018","140","11","3975","3980","10.1021/jacs.7b12524","","","0.71073","MoKα","","0.3372","0.2697","","","0.5764","0.6013","","","","","","1.944","","","","has coordinates","241982","2020-10-21","18:00:00",""
"4131892","9.59","0.0004","9.59","0.0004","7.0146","0.0005","90","","90","","120","","558.69","0.05","373","2","373","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C4 H11 Br3 Cd Cl N -","- C3.9984 H10.9956 Br3 Cd Cl0.9996 N0.9996 -","- C7.9968 H21.9912 Br6 Cd2 Cl1.9992 N1.9992 -","2","0.0833333","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response.","Journal of the American Chemical Society","2018","140","11","3975","3980","10.1021/jacs.7b12524","","","0.71073","MoKα","","0.0735","0.0644","","","0.1936","0.2059","","","","","","1.204","","","","has coordinates,has disorder","241983","2020-10-21","18:00:00",""
"4131893","9.514","0.0004","9.514","0.0004","7.0191","0.0005","90","","90","","120","","550.22","0.05","273","2","273","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- C4 H11 Br3 Cd Cl N -","- C4.00002 Br3 Cd Cl0.99999 N -","- C8.00004 Br6 Cd2 Cl1.99998 N2 -","2","0.166667","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response.","Journal of the American Chemical Society","2018","140","11","3975","3980","10.1021/jacs.7b12524","","","0.71073","MoKα","","0.0802","0.0697","","","0.1937","0.2043","","","","","","1.06","","","","has coordinates","241984","2020-10-21","18:00:00",""
"4131894","9.402","0.002","9.402","0.002","6.977","0.007","90","","90","","120","","534.1","0.6","93","2","93","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- C4 H11 Br3 Cd Cl N -","- C4.00002 Br3 Cd Cl0.99996 N -","- C8.00004 Br6 Cd2 Cl1.99992 N2 -","2","0.166667","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response.","Journal of the American Chemical Society","2018","140","11","3975","3980","10.1021/jacs.7b12524","","","0.71073","MoKα","","0.0625","0.0563","","","0.1479","0.1527","","","","","","1.111","","","","has coordinates","241985","2020-10-21","18:00:00",""
"4131895","9.539","0.007","17.604","0.014","12.628","0.01","90","","92.695","0.015","90","","2118","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H44 Br12 Cd2 N4 -","- C16 H44 Br12 Cd2 N4 -","- C32 H88 Br24 Cd4 N8 -","2","0.5","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response.","Journal of the American Chemical Society","2018","140","11","3975","3980","10.1021/jacs.7b12524","","","0.71073","MoKα","","0.2183","0.1618","","","0.4097","0.4441","","","","","","1.404","","","","has coordinates","241986","2020-10-21","18:00:00",""
"4131896","7.3514","0.0002","8.0601","0.0002","21.3723","0.0005","90","","94.7647","0.0013","90","","1262","0.06","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H9 N2 S2 -","- C17 H9 N2 S2 -","- C68 H36 N8 S8 -","4","2","","Beldjoudi, Yassine; Nascimento, Mitchell A.; Cho, Yong Joo; Yu, Hyeonghwa; Aziz, Hany; Tonouchi, Daiki; Eguchi, Keitaro; Matsushita, Michio M.; Awaga, Kunio; Osorio-Roman, Igor; Constantinides, Christos P.; Rawson, Jeremy M.","Multifunctional Dithiadiazolyl Radicals: Fluorescence, Electroluminescence, and Photoconducting Behavior in Pyren-1'-yl-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","20","6260","6270","10.1021/jacs.7b12592","","","1.54178","CuKα","","0.0429","0.0385","","","0.1041","0.1068","","","","","","1.074","","","","has coordinates","241987","2020-10-21","18:00:00",""
"4131897","7.3589","0.0002","19.2305","0.0003","19.2279","0.0004","90","","93.221","0.002","90","","2716.74","0.1","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Cu F3 N5 O6 S -","- C25 H28 Cu F3 N5 O6 S -","- C100 H112 Cu4 F12 N20 O24 S4 -","4","1","","Nijs, Thomas; Klein, Y. Maximilian; Mousavi, S. Fatemeh; Ahsan, Aisha; Nowakowska, Sylwia; Constable, Edwin C.; Housecroft, Catherine E.; Jung, Thomas A.","The Different Faces of 4'-Pyrimidinyl-Functionalized 4,2':6',4''-Terpyridines: Metal-Organic Assemblies from Solution and on Au(111) and Cu(111) Surface Platforms.","Journal of the American Chemical Society","2018","140","8","2933","2939","10.1021/jacs.7b12624","","","1.34143","GaKα","","0.0577","0.047","","0.109","0.0976","0.109","","","","","","1.0087","","","","has coordinates","241988","2020-10-21","18:00:00",""
"4131898","26.0869","0.0015","14.8694","0.0009","8.1356","0.0005","90","","108.012","0.003","90","","3001.1","0.3","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H29 Cu2 N5 O8 -","- C29 H29 Cu2 N5 O8 -","- C116 H116 Cu8 N20 O32 -","4","0.5","","Nijs, Thomas; Klein, Y. Maximilian; Mousavi, S. Fatemeh; Ahsan, Aisha; Nowakowska, Sylwia; Constable, Edwin C.; Housecroft, Catherine E.; Jung, Thomas A.","The Different Faces of 4'-Pyrimidinyl-Functionalized 4,2':6',4''-Terpyridines: Metal-Organic Assemblies from Solution and on Au(111) and Cu(111) Surface Platforms.","Journal of the American Chemical Society","2018","140","8","2933","2939","10.1021/jacs.7b12624","","","1.54178","CuKα","","0.052","0.0495","","0.1261","0.125","0.1258","","","","","","1.0222","","","","has coordinates,has disorder","241989","2020-10-21","18:00:00",""
"4131899","12.1758","0.0003","10.373","0.0003","14.1803","0.0004","90","","112.952","0.001","90","","1649.18","0.08","198","2","198.26","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 N2 O2 -","- C17 H24 N2 O2 -","- C68 H96 N8 O8 -","4","2","","Song, Jin; Zhang, Zi-Jing; Chen, Shu-Sen; Fan, Tao; Gong, Liu-Zhu","Lewis Base/Copper Cooperatively Catalyzed Asymmetric α-Amination of Esters with Diaziridinone.","Journal of the American Chemical Society","2018","140","9","3177","3180","10.1021/jacs.7b12628","","","1.54178","CuKα","","0.0779","0.0689","","","0.1795","0.1908","","","","","","1.048","","","","has coordinates","241990","2020-10-21","18:00:00",""
"4131900","25.7797","0.0005","34.9694","0.0006","12.4506","0.0002","90","","101.77","0.007","90","","10988.2","0.4","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C188 H142 Eu4 F36 N12 O35 -","- C188 H142 Eu4 F36 N12 O35 -","- C376 H284 Eu8 F72 N24 O70 -","2","0.5","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.0211","0.0205","","","0.0512","0.0514","","","","","","1.025","","","","has coordinates","241992","2020-10-21","18:00:00",""
"4131901","33.7188","0.0006","32.0387","0.0006","22.5439","0.0004","90","","102.13","0.007","90","","23810.6","1","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C184 H128 F36 N12 O36 Yb4 -","- C184 H128 F36 N12 O36 Yb4 -","- C736 H512 F144 N48 O144 Yb16 -","4","1","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.0267","0.024","","","0.0485","0.0491","","","","","","0.984","","","","has coordinates,has disorder","241993","2020-10-21","18:00:00",""
"4131902","25.759","0.0005","35.1455","0.0006","12.463","0.0002","90","","102.001","0.007","90","","11036.3","0.4","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C184 H132 F36 N12 O34 Sm4 -","- C184 H132 F36 N12 O34 Sm4 -","- C368 H264 F72 N24 O68 Sm8 -","2","0.5","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.0268","0.0252","","","0.0534","0.0538","","","","","","1.023","","","","has coordinates","241994","2020-10-21","18:00:00",""
"4131903","25.7603","0.0005","35.035","0.0006","12.4435","0.0002","90","","101.626","0.007","90","","11000","0.4","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C184 H132 Eu4 F36 N12 O34 -","- C184 H132 Eu4 F36 N12 O34 -","- C368 H264 Eu8 F72 N24 O68 -","2","0.5","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.0228","0.0221","","","0.0498","0.05","","","","","","1.033","","","","has coordinates","241995","2020-10-21","18:00:00",""
"4131904","33.9451","0.0006","31.7821","0.0006","22.4739","0.0004","90","","102.275","0.007","90","","23691.6","1","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C184 H128 F36 N12 O36 Yb4 -","- C184 H128 F36 N12 O36 Yb4 -","- C736 H512 F144 N48 O144 Yb16 -","4","1","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.046","0.0387","","","0.0792","0.0813","","","","","","0.978","","","","has coordinates,has disorder","241996","2020-10-21","18:00:00",""
"4131905","33.7309","0.0006","32.1542","0.0006","22.2394","0.0004","90","","101.685","0.007","90","","23620.8","1","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C187 H112 F36 N12 O44 Y4 -","- C187 H112 F36 N12 O44 Y4 -","- C748 H448 F144 N48 O176 Y16 -","4","1","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.0705","0.0512","","","0.1136","0.1197","","","","","","0.972","","","","has coordinates,has disorder","241997","2020-10-21","18:00:00",""
"4131906","17.3755","0.0007","19.9053","0.0007","22.8678","0.0009","64.5031","0.0012","88.255","0.0014","75.2468","0.0012","6875.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C250.03 H329.15 Cl16.96 N32 O38.38 Tb2 -","- C250.028 H329.156 Cl16.956 N32 O38.376 Tb2 -","- C250.028 H329.156 Cl16.956 N32 O38.376 Tb2 -","1","0.5","","Morita, Takaumi; Damjanović, Marko; Katoh, Keiichi; Kitagawa, Yasutaka; Yasuda, Nobuhiro; Lan, Yanhua; Wernsdorfer, Wolfgang; Breedlove, Brian K.; Enders, Markus; Yamashita, Masahiro","Comparison of the Magnetic Anisotropy and Spin Relaxation Phenomenon of Dinuclear Terbium(III) Phthalocyaninato Single-Molecule Magnets Using the Geometric Spin Arrangement.","Journal of the American Chemical Society","2018","140","8","2995","3007","10.1021/jacs.7b12667","","","0.78132","Synchrotron","","0.157","0.1202","","","0.2924","0.3215","","","","","","1.03","","","","has coordinates,has disorder","241998","2020-10-21","18:00:00",""
"4131907","10.0679","0.0004","12.6568","0.0004","15.6766","0.0005","98.834","0.003","106.858","0.003","104.372","0.003","1796.31","0.12","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.52 H35.81 Cl Fe N4 O7.38 -","- C38.524 H35.81 Cl Fe N4 O7.381 -","- C77.048 H71.62 Cl2 Fe2 N8 O14.762 -","2","1","","Pangia, Thomas M.; Davies, Casey G.; Prendergast, Joshua R.; Gordon, Jesse B.; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Observation of Radical Rebound in a Mononuclear Nonheme Iron Model Complex.","Journal of the American Chemical Society","2018","140","12","4191","4194","10.1021/jacs.7b12707","","","1.54178","CuKα","","0.0555","0.0504","","","0.141","0.1461","","","","","","1.026","","","","has coordinates,has disorder","241999","2020-10-21","18:00:00",""
"4131908","10.112","0.0003","22.0629","0.0006","16.4935","0.0004","90","","104.954","0.003","90","","3555.08","0.17","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.38 H35.62 Cl Fe N5.38 O5.62 -","- C39.382 H35.618 Cl Fe N5.382 O5.618 -","- C157.528 H142.472 Cl4 Fe4 N21.528 O22.472 -","4","1","","Pangia, Thomas M.; Davies, Casey G.; Prendergast, Joshua R.; Gordon, Jesse B.; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Observation of Radical Rebound in a Mononuclear Nonheme Iron Model Complex.","Journal of the American Chemical Society","2018","140","12","4191","4194","10.1021/jacs.7b12707","","","0.71073","MoKα","","0.0436","0.0361","","","0.0884","0.0927","","","","","","1.036","","","","has coordinates,has disorder","242000","2020-10-21","18:00:00",""
"4131909","15.6805","0.0011","10.4626","0.0007","21.9659","0.0015","90","","101.322","0.002","90","","3533.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 B F2 N3 O4 -","- C39 H46 B F2 N3 O4 -","- C156 H184 B4 F8 N12 O16 -","4","1","","Collot, Mayeul; Fam, Tkhe Kyong; Ashokkumar, Pichandi; Faklaris, Orestis; Galli, Thierry; Danglot, Lydia; Klymchenko, Andrey S.","Ultrabright and Fluorogenic Probes for Multicolor Imaging and Tracking of Lipid Droplets in Cells and Tissues.","Journal of the American Chemical Society","2018","140","16","5401","5411","10.1021/jacs.7b12817","","","0.71073","MoKα","","0.1126","0.072","","","0.1877","0.2158","","","","","","1.038","","","","has coordinates","242001","2020-10-21","18:00:00",""
"4131910","20.747","0.004","20.747","0.004","14.67","0.003","90","","135","0.03","90","","4465","3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H4.6 O44.5 Zr6 -","- C44 H4.6 O44.4998 Zr6 -","- C88 H9.2 O88.9996 Zr12 -","2","0.5","","Albalad, Jorge; Xu, Heng; Gándara, Felipe; Haouas, Mohamed; Martineau-Corcos, Charlotte; Mas-Ballesté, Rubén; Barnett, Sarah A.; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Single-Crystal-to-Single-Crystal Postsynthetic Modification of a Metal-Organic Framework via Ozonolysis.","Journal of the American Chemical Society","2018","140","6","2028","2031","10.1021/jacs.7b12913","","","0.6199","","","0.0766","0.0616","","","0.162","0.1791","","","","","","1.015","","","","has coordinates,has disorder","242002","2020-10-21","18:00:00",""
"4131911","14.493","0.005","14.921","0.005","17.665","0.006","100.095","0.006","107.797","0.008","98.626","0.007","3495","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H63 F24 N10 O7 P4 S5 -","- C49 H63 F24 N10 O7 P4 S5 -","- C98 H126 F48 N20 O14 P8 S10 -","2","1","","Wu, Ren-Tsung; Chi, Xiaodong; Hirao, Takehiro; Lynch, Vincent M.; Sessler, Jonathan L.","Supramolecular Properties of a Monocarboxylic Acid-Functionalized ""Texas-Sized"" Molecular Box.","Journal of the American Chemical Society","2018","140","22","6823","6831","10.1021/jacs.7b12957","","","0.71073","MoKα","","0.2665","0.1189","","","0.2539","0.3167","","","","","","1.11","","","","has coordinates,has disorder","242003","2020-10-21","18:00:00",""
"4131912","27.323","0.003","31.177","0.004","11.9178","0.0015","90","","90","","90","","10152","2","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C43 H33 F18 N10 O4 P3 S2 -","- C39 H33 F18 N10 O2 P3 -","- C312 H264 F144 N80 O16 P24 -","8","1","","Wu, Ren-Tsung; Chi, Xiaodong; Hirao, Takehiro; Lynch, Vincent M.; Sessler, Jonathan L.","Supramolecular Properties of a Monocarboxylic Acid-Functionalized ""Texas-Sized"" Molecular Box.","Journal of the American Chemical Society","2018","140","22","6823","6831","10.1021/jacs.7b12957","","","0.71073","MoKα","","0.1593","0.091","","","0.2027","0.2361","","","","","","1.045","","","","has coordinates,has disorder","242004","2020-10-21","18:00:00",""
"4131913","19.866","0.003","7.7093","0.0011","22.122","0.003","90","","90","","90","","3388","0.8","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H54 Ca2 I2 O6 -","- C26 H54 Ca2 I2 O6 -","- C104 H216 Ca8 I8 O24 -","4","1","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.0802","0.0689","","","0.1414","0.1461","","","","","","1.085","","","","has coordinates,has disorder","242005","2020-10-21","18:00:00",""
"4131914","12.223","0.009","17.635","0.014","18.194","0.015","90","","93.383","0.016","90","","3915","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29.92 H64.75 Ca3 I1.08 O5 -","- C29.917 H64.751 Ca3 I1.083 O5 -","- C119.668 H259.004 Ca12 I4.332 O20 -","4","1","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.056","0.0362","","","0.0844","0.0945","","","","","","1.05","","","","has coordinates,has disorder","242005","2020-10-21","18:00:00",""
"4131915","11.864","0.009","12.059","0.009","20.598","0.017","96.07","0.02","95.89","0.02","99.03","0.015","2873","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H88 B2 Ca N12 -","- C55 H88 B2 Ca N12 -","- C110 H176 B4 Ca2 N24 -","2","1","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.0887","0.0489","","","0.0988","0.1148","","","","","","1.016","","","","has coordinates,has disorder","242005","2020-10-21","18:00:00",""
"4131916","11.6278","0.0011","15.9075","0.0015","19.5703","0.0018","79.691","0.002","80.461","0.002","80.899","0.002","3481.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H110 B2 Ca2 N12 O3 -","- C62 H110 B2 Ca2 N12 O3 -","- C124 H220 B4 Ca4 N24 O6 -","2","1","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.0572","0.0406","","","0.0943","0.103","","","","","","1.019","","","","has coordinates,has disorder","242005","2020-10-21","18:00:00",""
"4131917","22.2039","0.0017","12.3521","0.0009","27.028","0.002","90","","101.36","0.001","90","","7267.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H53 B Ca N6 O -","- C30 H53 B Ca N6 O -","- C240 H424 B8 Ca8 N48 O8 -","8","2","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.0577","0.0462","","","0.1162","0.124","","","","","","1.027","","","","has coordinates","242005","2020-10-21","18:00:00",""
"4131918","12.3787","0.0012","19.6198","0.0018","12.7078","0.0012","90","","111.5","0.001","90","","2871.6","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H108 Ca2 O6 -","- C55 H108 Ca2 O6 -","- C110 H216 Ca4 O12 -","2","1","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.0427","0.0398","","","0.1045","0.107","","","","","","1.057","","","","has coordinates,has disorder","242005","2020-10-21","18:00:00",""
"4131919","13.0501","0.0007","19.3522","0.001","22.1731","0.0011","90","","92.027","0.001","90","","5596.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52.5 H105.5 Ca2 O5 -","- C52.5 H105.5 Ca2 O5 -","- C210 H422 Ca8 O20 -","4","1","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.083","0.0661","","","0.1693","0.1859","","","","","","1.036","","","","has coordinates,has disorder","242005","2020-10-21","18:00:00",""
"4131920","7.388","0.006","19.802","0.012","9.63","0.005","90","","90","","90","","1408.8","1.6","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C8 H24 Ca Ga2 -","- C8 H24 Ca Ga2 -","- C32 H96 Ca4 Ga8 -","4","0.5","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.0189","0.0172","","","0.0377","0.0384","","","","","","1.017","","","","has coordinates","242005","2020-10-21","18:00:00",""
"4131921","15.317","0.006","8.924","0.003","16.982","0.006","90","","111.376","0.006","90","","2161.6","1.4","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H19 N2 P -","- C27 H19 N2 P -","- C108 H76 N8 P4 -","4","1","","Hashimoto, Naoki; Umano, Rika; Ochi, Yusuke; Shimahara, Kiyoka; Nakamura, Jun; Mori, Shigeki; Ohta, Hidetoshi; Watanabe, Yutaka; Hayashi, Minoru","Synthesis and Photophysical Properties of λ<sup>5</sup>-Phosphinines as a Tunable Fluorophore.","Journal of the American Chemical Society","2018","140","6","2046","2049","10.1021/jacs.7b13018","","","0.71075","MoKα","","","0.0657","","","","0.1343","","","","","","1.032","","","","has coordinates","242006","2020-10-21","18:00:00",""
"4131922","15.138","0.004","9.219","0.003","28.143","0.008","90","","100.742","0.005","90","","3859","2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H13 N2 P -","- C19 H13 N2 P -","- C190 H130 N20 P10 -","10","2.5","","Hashimoto, Naoki; Umano, Rika; Ochi, Yusuke; Shimahara, Kiyoka; Nakamura, Jun; Mori, Shigeki; Ohta, Hidetoshi; Watanabe, Yutaka; Hayashi, Minoru","Synthesis and Photophysical Properties of λ<sup>5</sup>-Phosphinines as a Tunable Fluorophore.","Journal of the American Chemical Society","2018","140","6","2046","2049","10.1021/jacs.7b13018","","","0.71075","MoKα","","","0.0762","","","","0.1658","","","","","","1.025","","","","has coordinates","242007","2020-10-21","18:00:00",""
"4131923","6.4957","0.0003","9.6763","0.0005","14.8709","0.0007","97.388","0.002","95.474","0.002","100.439","0.002","904.82","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C42 H42 N2 O10 -","2","1","","Wang, Gang-Wei; Bower, John F.","Modular Access to Azepines by Directed Carbonylative C-C Bond Activation of Aminocyclopropanes.","Journal of the American Chemical Society","2018","140","8","2743","2747","10.1021/jacs.7b13087","","","0.71073","MoKα","","0.0484","0.0405","","","0.1022","0.1083","","","","","","1.049","","","","has coordinates","242008","2020-10-21","18:00:00",""
"4131924","18.052","0.005","23.231","0.005","26.344","0.005","70.236","0.005","77.675","0.005","86.573","0.005","10156","4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Ni18 Cl6 (C40H44S4O4)6 (C6H4NO2S)6]","","","- C276 H288 Cl6 N6 Ni18 O36 S30 -","- C276 H270 Cl6 N6 Ni18 O36 S30 -","- C276 H270 Cl6 N6 Ni18 O36 S30 -","1","0.5","","Wang, Shentang; Gao, Xiaohui; Hang, Xinxin; Zhu, Xiaofei; Han, Haitao; Li, Xiaokun; Liao, Wuping; Chen, Wei","Calixarene-Based {Ni<sub>18</sub>} Coordination Wheel: Highly Efficient Electrocatalyst for the Glucose Oxidation and Template for the Homogenous Cluster Fabrication.","Journal of the American Chemical Society","2018","140","20","6271","6277","10.1021/jacs.7b13193","","","0.71073","MoKα","","0.1187","0.0801","","","0.2208","0.241","","","","","","0.906","","","","has coordinates,has disorder","242009","2020-10-21","18:00:00",""
"4131925","15.0672","0.0005","9.0113","0.0003","17.5426","0.0006","90","","97.696","0.003","90","","2360.39","0.14","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","diaqua bis(ditetrazolyl)propane copper(II) chlorate","diaqua bis(ditetrazolyl)propane copper(II) chlorate","","- C10 H20 Cl2 Cu N16 O8 -","- C10 H20 Cl2 Cu N16 O8 -","- C40 H80 Cl8 Cu4 N64 O32 -","4","0.5","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.0352","0.031","","","0.08","0.0834","","","","","","1.08","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131926","13.1028","0.001","10.7288","0.0008","16.2265","0.0014","90","","95.036","0.007","90","","2272.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetrakis(1-methyl-5-aminotetrazolyl) chlorato copper(II) chlorate","tetrakis(1-methyl-5-aminotetrazolyl) chlorato copper(II) chlorate","","- C8 H20 Cl2 Cu N20 O6 -","- C8 H20 Cl2 Cu N20 O6 -","- C32 H80 Cl8 Cu4 N80 O24 -","4","1","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.1099","0.0853","","","0.2388","0.2549","","","","","","1.13","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131927","7.6403","0.0003","10.0072","0.0004","13.623","0.0005","90","","90.4","0.005","90","","1041.56","0.07","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","dichlorato tetrakis(1-methyltetrazolyl)copper(II)","dichlorato tetrakis(1-methyltetrazolyl)copper(II)","","- C8 H16 Cl2 Cu N16 O6 -","- C8 H16 Cl2 Cu N16 O6 -","- C16 H32 Cl4 Cu2 N32 O12 -","2","0.5","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.028","0.0244","","","0.0609","0.0628","","","","","","1.103","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131928","14.6638","0.0007","8.9883","0.0005","16.3538","0.0008","90","","90.324","0.005","90","","2155.44","0.19","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","dichlorato bis(ditetrazolylpropane copper(II)","dichlorato bis(ditetrazolylpropane copper(II)","","- C10 H16 Cl2 Cu N16 O6 -","- C10 H16 Cl2 Cu N16 O6 -","- C40 H64 Cl8 Cu4 N64 O24 -","4","0.5","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.0667","0.0437","","","0.092","0.1043","","","","","","1.056","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131929","6.7837","0.0008","8.182","0.001","10.1959","0.0012","108.068","0.011","101.188","0.01","90.137","0.01","526.6","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","dichlorato bis(1,2-ditetrazolyl)propane copper(II)","dichlorato bis(1,2-ditetrazolyl)propane copper(II)","","- C10 H16 Cl2 Cu N16 O6 -","- C10 H16 Cl2 Cu N16 O6 -","- C10 H16 Cl2 Cu N16 O6 -","1","0.5","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.0831","0.0439","","","0.0577","0.0658","","","","","","0.889","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131930","13.5622","0.0016","15.5713","0.0018","7.7338","0.0015","90","","91.559","0.012","90","","1632.6","0.4","143","2","143","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","tris(4-amino-1,2,4-triazolyl) copper(II) chlorate","tris(4-amino-1,2,4-triazolyl) copper(II) chlorate","","- C6 H12 Cl2 Cu N12 O6 -","- C6 H12 Cl2 Cu N12 O6 -","- C24 H48 Cl8 Cu4 N48 O24 -","4","0.5","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.1224","0.0716","","","0.1573","0.1861","","","","","","1.034","","","","has coordinates,has disorder","242010","2020-10-21","18:00:00",""
"4131931","10.7286","0.0006","6.8178","0.0004","15.5263","0.0012","90","","100.469","0.006","90","","1116.77","0.13","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bis(ditetrazolylbutane) copper(II) chlorate","bis(ditetrazolylbutane) copper(II) chlorate","","- C12 H20 Cl2 Cu N16 O6 -","- C12 H20 Cl2 Cu N16 O6 -","- C24 H40 Cl4 Cu2 N32 O12 -","2","0.5","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.058","0.0433","","","0.1069","0.1155","","","","","","1.092","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131932","6.5617","0.0003","7.526","0.0004","9.0097","0.0004","111.762","0.002","98.711","0.002","104.197","0.002","385.81","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","diaqua dichlorato bis(2-methyl-5-aminotetrazolyl) copper(II)","diaqua dichlorato bis(2-methyl-5-aminotetrazolyl) copper(II)","","- C4 H14 Cl2 Cu N10 O8 -","- C4 H14 Cl2 Cu N10 O8 -","- C4 H14 Cl2 Cu N10 O8 -","1","0.5","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","","0.71073","MoKα","","0.0335","0.0295","","","0.0619","0.0635","","","","","","1.117","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131933","7.2932","0.0002","10.9456","0.0003","12.417","0.0003","93.041","0.001","96.845","0.001","91.156","0.001","982.43","0.04","100","","100","2","","","","","","","","6","P -1","-P 1","2","dichlorato tetrakis(1-amino-1,2,3-triazolyl) copper(II)","dichlorato tetrakis(1-amino-1,2,3-triazolyl) copper(II)","","- C8 H16 Cl2 Cu N16 O6 -","- C8 H16 Cl2 Cu N16 O6 -","- C16 H32 Cl4 Cu2 N32 O12 -","2","1","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","","0.71073","MoKα","","0.0317","0.0243","","","0.0727","0.094","","","","","","1.263","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131934","10.9642","0.0002","10.9642","0.0002","14.3772","0.0004","90","","90","","120","","1496.78","0.06","123","2","123","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris(ditetrazolylpropyl) copper(II) chlorate","tris(ditetrazolylpropyl) copper(II) chlorate'","","- C15 H24 Cl2 Cu N24 O6 -","- C15 H24 Cl2 Cu N24 O6 -","- C30 H48 Cl4 Cu2 N48 O12 -","2","0.166667","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.0375","0.0289","","","0.0758","0.0818","","","","","","1.061","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131935","18.626","0.003","18.626","0.003","55.983","0.011","90","","90","","120","","16820","5","100","","100","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C57 H72 Ce N9 -","- C57 H72 Ce N9 -","- C684 H864 Ce12 N108 -","12","0.333333","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.0479","0.0375","","","0.0978","0.1051","","","","","","1.12","","","","has coordinates","242011","2020-10-21","18:00:00",""
"4131936","10.0315","0.0004","11.8803","0.0004","17.842","0.0007","82.423","0.002","85.788","0.002","89.638","0.002","2102.09","0.14","100","2","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H72 Ce N9 -","- C36 H72 Ce N9 -","- C72 H144 Ce2 N18 -","2","1","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.0259","0.0211","","","0.0466","0.0482","","","","","","1.028","","","","has coordinates","242011","2020-10-21","18:00:00",""
"4131937","13.2861","0.0006","19.9413","0.001","18.6655","0.0009","90","","109.946","0.002","90","","4648.6","0.4","100","2","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H84 Ce N9 -","- C39 H84 Ce N9 -","- C156 H336 Ce4 N36 -","4","1","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.0268","0.0198","","","0.0426","0.045","","","","","","1.023","","","","has coordinates","242011","2020-10-21","18:00:00",""
"4131938","24.249","0.002","13.9439","0.0012","18.4167","0.0016","90","","115.072","0.004","90","","5640.4","0.9","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H96 Ce N9 -","- C48 H96 Ce N9 -","- C192 H384 Ce4 N36 -","4","0.5","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.0886","0.0846","","","0.2279","0.2309","","","","","","1.126","","","","has coordinates,has disorder","242011","2020-10-21","18:00:00",""
"4131939","12.8493","0.0007","10.7028","0.0006","39.41","0.002","90","","93.013","0.002","90","","5412.3","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H96 Ce N9 Si3 -","- C42 H96 Ce N9 Si3 -","- C168 H384 Ce4 N36 Si12 -","4","1","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.1165","0.1014","","","0.193","0.197","","","","","","1.497","","","","has coordinates,has disorder","242011","2020-10-21","18:00:00",""
"4131940","20.8203","0.0017","15.8035","0.0012","20.8531","0.0018","90","","90.547","0.003","90","","6861.1","1","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C67 H116 Ce I2 Li N6 O2 -","- C67 H116 Ce I2 Li N6 O2 -","- C268 H464 Ce4 I8 Li4 N24 O8 -","4","1","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.0745","0.0624","","","0.1321","0.143","","","","","","1.17","","","","has coordinates,has disorder","242011","2020-10-21","18:00:00",""
"4131941","44.203","0.005","44.203","0.005","26.08","0.003","90","","90","","120","","44131","9","100","","100","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C81 H132 Ce N9 -","- C81 H132 Ce N9 -","- C1458 H2376 Ce18 N162 -","18","1","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.0533","0.04","","","0.0743","0.0795","","","","","","1.042","","","","has coordinates,has disorder","242011","2020-10-21","18:00:00",""
"4131942","8.998","0.0002","11.5663","0.0002","17.6674","0.0005","90","","90","","90","","1838.71","0.07","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cl F3 N2 O -","- C20 H22 Cl F3 N2 O -","- C80 H88 Cl4 F12 N8 O4 -","4","1","","Ye, Ke-Yin; Pombar, Gisselle; Fu, Niankai; Sauer, Gregory S.; Keresztes, Ivan; Lin, Song","Anodically Coupled Electrolysis for the Heterodifunctionalization of Alkenes.","Journal of the American Chemical Society","2018","140","7","2438","2441","10.1021/jacs.7b13387","","x-ray","1.54184","CuKα","","0.0482","0.0446","","","0.1151","0.1209","","","","","","1.035","","","","has coordinates","242012","2020-10-21","18:00:00",""
"4131943","9.64769","0.00005","11.43518","0.00007","15.03401","0.00009","90","","90","","90","","1658.6","0.017","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.7107","MoKα","","0.0294","0.0258","","","0.0691","0.0705","","","","","","1.044","","","","has coordinates","242013","2020-10-21","18:00:00",""
"4131944","8.161","0.006","10.276","0.007","13.734","0.008","102.45","0.02","97.861","0.019","112.29","0.02","1009.7","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O7 -","- C23 H26 N2 O7 -","- C46 H52 N4 O14 -","2","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.1","0.0669","","","0.1652","0.1872","","","","","","1.074","","","","has coordinates","242014","2020-10-21","18:00:00",""
"4131945","6.8694","0.0003","10.0331","0.0004","15.3665","0.0007","81.1902","0.001","88.6152","0.001","89.8076","0.001","1046.28","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N2 O7 -","- C24 H26 N2 O7 -","- C48 H52 N4 O14 -","2","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.0485","0.0417","","","0.1146","0.1202","","","","","","1.046","","","","has coordinates","242015","2020-10-21","18:00:00",""
"4131946","7.2777","0.0003","8.2938","0.0004","9.0157","0.0003","77.686","0.004","83.158","0.003","69.733","0.004","498.14","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Br3 N4 Ru -","- C20 H16 Br3 N4 Ru -","- C20 H16 Br3 N4 Ru -","1","0.5","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.7107","MoKα","","0.0734","0.0603","","","0.1769","0.2071","","","","","","1.019","","","","has coordinates","242016","2020-10-21","18:00:00",""
"4131947","8.7314","0.0003","18.821","0.0007","11.6512","0.0004","90","","102.367","0.0011","90","","1870.26","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 O5 -","- C22 H24 N2 O5 -","- C88 H96 N8 O20 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.0571","0.0437","","","0.1072","0.1156","","","","","","1.041","","","","has coordinates,has disorder","242017","2020-10-21","18:00:00",""
"4131948","45.773","0.0005","7.9396","0.0001","13.4558","0.0001","90","","97.262","0.001","90","","4850.87","0.09","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C49.5 H55 N4 O12.5 S2 -","- C49.5 H55 N4 O12.5 S2 -","- C198 H220 N16 O50 S8 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.7107","MoKα","","0.0505","0.0406","","","0.1045","0.1104","","","","","","1.007","","","","has coordinates,has disorder","242018","2020-10-21","18:00:00",""
"4131949","12.0865","0.0005","13.2673","0.0005","13.6282","0.0005","90","","115.234","0.0008","90","","1976.81","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N2 O6 -","- C23 H26 N2 O6 -","- C92 H104 N8 O24 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.0457","0.0404","","","0.1133","0.1178","","","","","","1.051","","","","has coordinates","242019","2020-10-21","18:00:00",""
"4131950","10.9813","0.0003","8.0063","0.0002","24.4059","0.0007","90","","98.934","0.003","90","","2119.72","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O6 -","- C24 H30 N2 O6 -","- C96 H120 N8 O24 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.7107","MoKα","","0.046","0.0366","","","0.1007","0.1056","","","","","","1.037","","","","has coordinates","242020","2020-10-21","18:00:00",""
"4131951","7.2219","0.0015","9.354","0.002","13.497","0.003","84.894","0.004","85.225","0.004","68.613","0.004","844.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C42 H40 N4 O10 -","2","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.0751","0.059","","","0.155","0.1679","","","","","","1.029","","","","has coordinates","242021","2020-10-21","18:00:00",""
"4131952","7.9625","0.0013","10.842","0.002","12.972","0.003","74.54","0.006","74.559","0.006","87.974","0.006","1039.6","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C48 H56 N4 O12 -","2","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.0628","0.0444","","","0.1003","0.1113","","","","","","1.023","","","","has coordinates","242022","2020-10-21","18:00:00",""
"4131953","13.6713","0.0013","37.374","0.004","8.2094","0.0007","90","","90","","90","","4194.6","0.7","100","2","100","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C24 H26 N2 O7 -","- C24 H26 N2 O7 -","- C192 H208 N16 O56 -","8","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.0461","0.0396","","","0.0954","0.1002","","","","","","1.077","","","","has coordinates","242023","2020-10-21","18:00:00",""
"4131954","7.84898","0.00008","14.47011","0.00018","15.52093","0.00016","90","","90","","90","","1762.8","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20.18 N2 O5.09 -","- C21 H20.182 N2 O5.091 -","- C84 H80.728 N8 O20.364 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.7107","MoKα","","0.033","0.0296","","","0.0798","0.0815","","","","","","1.071","","","","has coordinates,has disorder","242024","2020-10-21","18:00:00",""
"4131955","7.3663","0.0005","11.4058","0.0008","12.1822","0.0008","85.2854","0.0018","81.2598","0.0019","85.079","0.002","1005.43","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Cl2 N2 O4 -","- C22 H24 Cl2 N2 O4 -","- C44 H48 Cl4 N4 O8 -","2","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.0786","0.0704","","","0.2224","0.234","","","","","","1.031","","","","has coordinates,has disorder","242025","2020-10-21","18:00:00",""
"4131956","11.221","0.0008","7.2383","0.0005","29.137","0.003","90","","96.855","0.007","90","","2349.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 Cl3 N2 O6 -","- C23 H27 Cl3 N2 O6 -","- C92 H108 Cl12 N8 O24 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.7107","MoKα","","0.0984","0.0623","","","0.1451","0.1645","","","","","","1.066","","","","has coordinates","242026","2020-10-21","18:00:00",""
"4131957","47.826","0.002","21.1891","0.0009","27.0097","0.0012","90","","94.628","0.003","90","","27282","2","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C170 H142 Cl4 N8 O18.66667 -","- C170 H142 Cl4 N8 O18.6667 -","- C1020 H852 Cl24 N48 O112 -","6","1.5","","Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin","Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene.","Journal of the American Chemical Society","2018","140","8","2769","2772","10.1021/jacs.7b13512","","","1.54178","CuKα","","0.1762","0.1416","","","0.3379","0.3812","","","","","","1.131","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4131958","6.5343","0.0003","17.9861","0.0007","32.523","0.0014","90","","90","","90","","3822.3","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C52 H40 O4 -","- C52 H40 O4 -","- C208 H160 O16 -","4","1","","Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin","Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene.","Journal of the American Chemical Society","2018","140","8","2769","2772","10.1021/jacs.7b13512","","","1.54178","CuKα","","0.0396","0.0351","","","0.0967","0.1031","","","","","","1.059","","","","has coordinates","242028","2020-10-21","18:00:00",""
"4131959","5.146","","18.162","","20.254","","90","","90","","90","","1892.97","","173","2","173","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C30 H16 -","- C30 H16 -","- C120 H64 -","4","1","","Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin","Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene.","Journal of the American Chemical Society","2018","140","8","2769","2772","10.1021/jacs.7b13512","","","1.54178","CuKα","","0.0314","0.0282","","","0.065","0.0668","","","","","","1.072","","","","has coordinates","242029","2020-10-21","18:00:00",""
"4131960","47.641","0.003","21.1704","0.001","27.0403","0.0012","90","","94.904","0.003","90","","27172","2","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C171.33333 H144.66667 Cl6.66667 N8 O24 -","- C171.333 H144.667 Cl6.66667 N8 O24 -","- C1028 H868 Cl40 N48 O144 -","6","1.5","","Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin","Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene.","Journal of the American Chemical Society","2018","140","8","2769","2772","10.1021/jacs.7b13512","","","1.54178","CuKα","","0.1669","0.1513","","","0.3637","0.3891","","","","","","1.185","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4131961","7.4332","0.001","8.2644","0.0011","22.734","0.003","90","","96.542","0.015","90","","1387.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O6 S -","- C12 H13 N3 O6 S -","- C48 H52 N12 O24 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0611","0.0459","","","0.1163","0.1242","","","","","","1.058","","","","has coordinates","242031","2020-10-21","18:00:00",""
"4131962","10.817","0.005","11.154","0.005","13.163","0.005","92.607","0.005","112.415","0.005","92.17","0.005","1464","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 N4 O11 S2 -","- C27 H30 N4 O11 S2 -","- C54 H60 N8 O22 S4 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.09","0.0762","","","0.2141","0.2226","","","","","","1.106","","","","has coordinates","242031","2020-10-21","18:00:00",""
"4131963","7.0021","0.0003","9.7512","0.0005","13.0986","0.0008","70.369","0.005","88.781","0.004","82.494","0.004","834.91","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N5 O5 S -","- C16 H15 N5 O5 S -","- C32 H30 N10 O10 S2 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0539","0.0423","","","0.0979","0.1052","","","","","","1.072","","","","has coordinates","242031","2020-10-21","18:00:00",""
"4131964","7.3537","0.0003","14.8454","0.0011","12.3215","0.0005","90","","94.038","0.004","90","","1341.78","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N3 O5 S -","- C12 H13 N3 O5 S -","- C48 H52 N12 O20 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0622","0.0487","","","0.1278","0.1347","","","","","","1.105","","","","has coordinates","242031","2020-10-21","18:00:00",""
"4131965","10.4132","0.0003","13.5716","0.0003","29.547","0.0008","90","","90","","90","","4175.69","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N5 O8 S2 -","- C18 H21 N5 O8 S2 -","- C144 H168 N40 O64 S16 -","8","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0412","0.0346","","","0.084","0.0879","","","","","","1.047","","","","has coordinates","242031","2020-10-21","18:00:00",""
"4131966","7.017","0.005","17.287","0.005","12.578","0.005","90","0.005","94.34","0.005","90","0.005","1521.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N4 O8 S -","- C12 H14 N4 O8 S -","- C48 H56 N16 O32 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0634","0.0611","","","0.1689","0.1728","","","","","","1.04","","","","has coordinates","242031","2020-10-21","18:00:00",""
"4131967","11.6451","0.0007","8.0014","0.0004","22.6883","0.0012","90","","91.37","0.005","90","","2113.4","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H23 N5 O6 S2 -","- C18 H23 N5 O6 S2 -","- C72 H92 N20 O24 S8 -","4","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0705","0.0594","","","0.167","0.1831","","","","","","1.048","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131968","9.9888","0.0015","10.2796","0.0012","12.3288","0.0019","68.939","0.013","79.698","0.013","69.115","0.012","1101.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 N5 O8 S2 -","- C16 H26 N5 O8 S2 -","- C32 H52 N10 O16 S4 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0891","0.0722","","","0.1994","0.216","","","","","","1.046","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131969","7.7154","0.0005","11.5739","0.001","12.5866","0.0007","68.866","0.007","83.563","0.005","82.184","0.006","1036.19","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N7 O10 S2 -","- C16 H17 N7 O10 S2 -","- C32 H34 N14 O20 S4 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0513","0.0464","","","0.1213","0.126","","","","","","1.035","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131970","26.738","0.005","7.081","0.0011","30.146","0.007","90","","90.53","0.02","90","","5707.4","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H64 N4 O13 S4 -","- C58 H64 N4 O13 S4 -","- C232 H256 N16 O52 S16 -","4","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.144","0.0799","","","0.1975","0.2479","","","","","","0.941","","","","has coordinates,has disorder","242032","2020-10-21","18:00:00",""
"4131971","6.0303","0.0006","9.721","0.0008","12.4638","0.0012","98.012","0.007","94.549","0.008","97.848","0.007","713.12","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N4 O12 S2 -","- C26 H26 N4 O12 S2 -","- C26 H26 N4 O12 S2 -","1","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0604","0.0528","","","0.1353","0.1425","","","","","","1.072","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131972","14.5751","0.0006","7.3814","0.0003","18.0511","0.0008","90","","92.517","0.004","90","","1940.15","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N3 O5 S -","- C20 H23 N3 O5 S -","- C80 H92 N12 O20 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0538","0.0436","","","0.107","0.113","","","","","","1.042","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131973","5.7205","0.0006","20.45","0.002","11.7153","0.0011","90","","102.871","0.01","90","","1336.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N2 O8 S2 -","- C26 H28 N2 O8 S2 -","- C52 H56 N4 O16 S4 -","2","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0783","0.0668","","","0.1761","0.1879","","","","","","1.079","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131974","12.9855","0.0009","7.3929","0.0005","13.8095","0.0008","90","","100.742","0.006","90","","1302.49","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N4 O12 S2 -","- C24 H22 N4 O12 S2 -","- C48 H44 N8 O24 S4 -","2","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0497","0.0437","","","0.1127","0.1166","","","","","","1.058","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131975","7.7042","0.0005","12.1758","0.0009","13.3268","0.001","84.238","0.006","89.648","0.005","83.067","0.006","1234.68","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N2 O9 S2 -","- C24 H26 N2 O9 S2 -","- C48 H52 N4 O18 S4 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0553","0.0463","","","0.1106","0.1158","","","","","","1.065","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131976","12.9248","0.0003","7.3758","0.0002","26.709","0.0005","90","","91.338","0.002","90","","2545.49","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O11 S2 -","- C24 H26 N2 O11 S2 -","- C96 H104 N8 O44 S8 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0554","0.0439","","","0.1067","0.1133","","","","","","1.027","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131977","21.8681","0.0014","5.6881","0.0003","23.3203","0.0015","90","","101.161","0.006","90","","2845.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N2 O8 S2 -","- C28 H32 N2 O8 S2 -","- C112 H128 N8 O32 S8 -","4","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0942","0.0783","","","0.2127","0.2354","","","","","","1.09","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131978","8.124","0.0002","5.7011","0.0002","23.0661","0.0007","90","","93.074","0.003","90","","1066.79","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N O4 S -","- C10 H12 N O4 S -","- C40 H48 N4 O16 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0517","0.0442","","","0.1139","0.1185","","","","","","1.103","","","","has coordinates","242033","2020-10-21","18:00:00",""
"4131979","8.8901","0.0002","7.0512","0.0002","16.8721","0.0005","90","","95.229","0.003","90","","1053.24","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N O3 S -","- C10 H12 N O3 S -","- C40 H48 N4 O12 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0535","0.0447","","","0.1313","0.1381","","","","","","1.063","","","","has coordinates","242033","2020-10-21","18:00:00",""
"4131980","17.884","0.0012","6.712","0.0004","19.8456","0.0014","90","","112.723","0.008","90","","2197.3","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H11 N2 O5 S -","- C10 H11 N2 O5 S -","- C80 H88 N16 O40 S8 -","8","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0357","0.0335","","","0.09","0.0917","","","","","","1.083","","","","has coordinates","242033","2020-10-21","18:00:00",""
"4131981","27.044","0.009","6.9584","0.0014","15.834","0.006","90","","118.16","0.03","90","","2627","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N2 O8 S2 -","- C28 H32 N2 O8 S2 -","- C112 H128 N8 O32 S8 -","4","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0575","0.0466","","","0.1342","0.1426","","","","","","1.078","","","","has coordinates","242033","2020-10-21","18:00:00",""
"4131982","15.3959","0.0013","7.2509","0.0005","23.9608","0.0019","90","","92.573","0.006","90","","2672.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N2 O6 S2 -","- C28 H32 N2 O6 S2 -","- C112 H128 N8 O24 S8 -","4","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0627","0.0509","","","0.1343","0.1429","","","","","","1.105","","","","has coordinates","242033","2020-10-21","18:00:00",""
"4131983","19.9706","0.001","7.039","0.0003","21.9707","0.0012","90","","113.547","0.006","90","","2831.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 N2 O6 S2 -","- C30 H36 N2 O6 S2 -","- C120 H144 N8 O24 S8 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0682","0.0521","","","0.1312","0.1456","","","","","","1.034","","","","has coordinates","242033","2020-10-21","18:00:00",""
"4131984","10.6823","0.0015","11.4435","0.0014","13.2985","0.0017","87.212","0.01","70.525","0.012","81.733","0.011","1516.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N4 O11 S2 -","- C28 H32 N4 O11 S2 -","- C56 H64 N8 O22 S4 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.1224","0.0888","","","0.238","0.2792","","","","","","1.03","","","","has coordinates","242033","2020-10-21","18:00:00",""
"4131985","5.9637","0.0002","15.7025","0.0004","11.9733","0.0003","90","","95.124","0.002","90","","1116.76","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Cl N O3 S -","- C10 H11 Cl N O3 S -","- C40 H44 Cl4 N4 O12 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0429","0.0383","","","0.1012","0.1039","","","","","","1.073","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131986","8.1551","0.0003","5.7169","0.0003","22.5197","0.0009","90","","94.011","0.003","90","","1047.34","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cl N O4 S -","- C9 H9 Cl N O4 S -","- C36 H36 Cl4 N4 O16 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0384","0.0335","","","0.0844","0.087","","","","","","1.082","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131987","10.1766","0.0006","10.7552","0.0007","12.5205","0.0008","95.045","0.005","109.245","0.005","102.571","0.005","1243.69","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cl3 N3 O6 S2 -","- C21 H21 Cl3 N3 O6 S2 -","- C42 H42 Cl6 N6 O12 S4 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0491","0.0394","","","0.0949","0.1023","","","","","","1.057","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131988","22.1231","0.0007","7.2432","0.0003","19.3126","0.0006","90","","100.197","0.003","90","","3045.81","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 Cl2 N3 O5 S -","- C12 H11 Cl2 N3 O5 S -","- C96 H88 Cl16 N24 O40 S8 -","8","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0468","0.0407","","","0.1087","0.1124","","","","","","1.063","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131989","7.2666","0.0009","14.9473","0.0014","15.224","0.002","90","","99.744","0.014","90","","1629.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N3 O5 S -","- C13 H14 Cl N3 O5 S -","- C52 H56 Cl4 N12 O20 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0791","0.0602","","","0.1549","0.1754","","","","","","1.109","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131990","7.4388","0.0005","8.519","0.0004","12.2969","0.0009","90.408","0.005","107.029","0.006","94.769","0.005","742.12","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cl N3 O6 S -","- C12 H12 Cl N3 O6 S -","- C24 H24 Cl2 N6 O12 S2 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0444","0.0385","","","0.1071","0.1122","","","","","","1.097","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131991","21.7735","0.0006","14.1989","0.0004","9.4343","0.0003","90","","90","","90","","2916.71","0.15","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H12 Cl N3 O5 S -","- C12 H12 Cl N3 O5 S -","- C96 H96 Cl8 N24 O40 S8 -","8","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.047","0.0418","","","0.1233","0.1271","","","","","","1.074","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131992","7.3874","0.0004","9.6593","0.0005","11.6166","0.0007","74.226","0.005","82.828","0.004","72.285","0.004","759.08","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Cl N4 O7 S -","- C12 H11 Cl N4 O7 S -","- C24 H22 Cl2 N8 O14 S2 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0896","0.072","","","0.2019","0.227","","","","","","0.981","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131993","13.052","0.003","15.755","0.003","24.071","0.004","90.625","0.003","91.925","0.003","91.633","0.003","4944.7","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(OEP)Fe(m-OH)B(C6F5)3","","","- C54 H45 B F15 Fe N4 O -","- C54 H45 B F15 Fe N4 O -","- C216 H180 B4 F60 Fe4 N16 O4 -","4","2","","Abucayon, Erwin G.; Khade, Rahul L.; Powell, Douglas R.; Zhang, Yong; Richter-Addo, George B","Lewis Acid Activation of the Ferrous Heme-NO Fragment toward the N-N Coupling Reaction with NO To Generate N<sub>2</sub>O.","Journal of the American Chemical Society","2018","140","12","4204","4207","10.1021/jacs.7b13681","","","0.71073","MoKα","","0.059","0.0406","","","0.0982","0.1088","","","","","","0.998","","","","has coordinates,has disorder","242035","2020-10-21","18:00:00",""
"4131994","8.722","0.003","14.03","0.005","8.981","0.003","90","","111.139","0.006","90","","1025","0.6","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 F3 N2 -","- C12 H7 F3 N2 -","- C48 H28 F12 N8 -","4","1","","Kobayashi, Kensuke; Horiuchi, Sachio; Ishibashi, Shoji; Murakami, Youichi; Kumai, Reiji","Field-Induced Antipolar-Polar Structural Transformation and Giant Electrostriction in Organic Crystal.","Journal of the American Chemical Society","2018","140","11","3842","3845","10.1021/jacs.7b13688","","","0.71075","MoKα","","0.0664","0.0517","","","0.1467","0.1605","","","","","","1.048","","","","has coordinates","242036","2020-10-21","18:00:00",""
"4131995","14.047","0.002","14.609","0.003","10.026","0.001","90","","90","","90","","2057.5","0.6","300","1","300","1","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C12 H7 F3 N2 -","- C12 H7 F3 N2 -","- C96 H56 F24 N16 -","8","1","","Kobayashi, Kensuke; Horiuchi, Sachio; Ishibashi, Shoji; Murakami, Youichi; Kumai, Reiji","Field-Induced Antipolar-Polar Structural Transformation and Giant Electrostriction in Organic Crystal.","Journal of the American Chemical Society","2018","140","11","3842","3845","10.1021/jacs.7b13688","","","0.9991","synchrotron","","0.0499","0.037","","","0.1095","0.118","","","","","","0.978","","","","has coordinates","242037","2020-10-21","18:00:00",""
"4131996","9.431","0.004","9.479","0.004","10.55","0.005","77.104","0.011","86.491","0.011","75.335","0.011","889.4","0.7","225","2","225","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H6 N S2 -","- C10 H6 N S2 -","- C40 H24 N4 S8 -","4","2","","Bates, Demetris; Robertson, Craig M.; Leitch, Alicea A.; Dube, Paul A.; Oakley, Richard T.","Magnetic Bistability in Naphtho-1,3,2-dithiazolyl: Solid State Interconversion of a Thiazyl π-Radical and Its N-N σ-Bonded Dimer.","Journal of the American Chemical Society","2018","140","11","3846","3849","10.1021/jacs.7b13699","","","0.71073","MoKα","","0.1367","0.0842","","","0.2197","0.2509","","","","","","1.078","","","","has coordinates,has disorder","242038","2020-10-21","18:00:00",""
"4131997","16.3598","0.0015","11.2335","0.0014","21.3117","0.0026","90","","91.676","0.009","90","","3914.9","0.8","200","","200","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Cu F6 N10 O Si -","- C10 H12 Cu F6 N10 O Si -","- C80 H96 Cu8 F48 N80 O8 Si8 -","8","1","","Bao, Zongbi; Xie, Danyan; Chang, Ganggang; Wu, Hui; Li, Liangying; Zhou, Wei; Wang, Hailong; Zhang, Zhiguo; Xing, Huabin; Yang, Qiwei; Zaworotko, Michael J.; Ren, Qilong; Chen, Banglin","Fine Tuning and Specific Binding Sites with a Porous Hydrogen-Bonded Metal-Complex Framework for Gas Selective Separations.","Journal of the American Chemical Society","2018","140","13","4596","4603","10.1021/jacs.7b13706","powder diffraction","neutron","2.0775","","","","","","","","","0.09963","","1.1","","","","","","","has coordinates","242039","2020-10-21","18:00:00",""
"4131998","16.9982","0.0008","11.0287","0.0005","21.318","0.0011","90","","90","","90","","3996.4","0.3","293","2","293.15","","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C20 H24 Cu2 F12 N20 O2 Si2 -","- C20 H24 Cu2 F12 N20 O2 Si2 -","- C80 H96 Cu8 F48 N80 O8 Si8 -","4","0.25","","Bao, Zongbi; Xie, Danyan; Chang, Ganggang; Wu, Hui; Li, Liangying; Zhou, Wei; Wang, Hailong; Zhang, Zhiguo; Xing, Huabin; Yang, Qiwei; Zaworotko, Michael J.; Ren, Qilong; Chen, Banglin","Fine Tuning and Specific Binding Sites with a Porous Hydrogen-Bonded Metal-Complex Framework for Gas Selective Separations.","Journal of the American Chemical Society","2018","140","13","4596","4603","10.1021/jacs.7b13706","","","0.71073","MoKα","","0.0631","0.0496","","","0.1324","0.14","","","","","","1.054","","","","has coordinates","242040","2020-10-21","18:00:00",""
"4131999","13.24067","0.00007","7.76255","0.00004","24.8383","0.00013","90","","91.3423","0.0005","90","","2552.21","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H38 O2 -","- C32 H38 O2 -","- C128 H152 O8 -","4","2","","Hao, Wei; Harenberg, Johannes H.; Wu, Xiangyu; MacMillan, Samantha N.; Lin, Song","Diastereo- and Enantioselective Formal [3 + 2] Cycloaddition of Cyclopropyl Ketones and Alkenes via Ti-Catalyzed Radical Redox Relay.","Journal of the American Chemical Society","2018","140","10","3514","3517","10.1021/jacs.7b13710","","x-ray","1.54184","CuKα","","0.0318","0.0315","","","0.0822","0.0824","","","","","","1.027","","","","has coordinates","242041","2020-10-21","18:00:00",""
"4132000","5.8408","0.0001","16.7324","0.0004","7.8935","0.0002","90","","92.485","0.002","90","","770.71","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O -","- C20 H22 O -","- C40 H44 O2 -","2","1","","Hao, Wei; Harenberg, Johannes H.; Wu, Xiangyu; MacMillan, Samantha N.; Lin, Song","Diastereo- and Enantioselective Formal [3 + 2] Cycloaddition of Cyclopropyl Ketones and Alkenes via Ti-Catalyzed Radical Redox Relay.","Journal of the American Chemical Society","2018","140","10","3514","3517","10.1021/jacs.7b13710","","x-ray","1.54184","CuKα","","0.0266","0.0265","","","0.0706","0.0715","","","","","","1.069","","","","has coordinates","242043","2020-10-21","18:00:00",""
"4132001","12.843","","20.558","","23.39","","72.79","","77.72","","72.76","","5580.91","","100","","100","","","","","","","","","6","P -1","-P 1","2","","N-triphenylsilylimidobis(N-2,6-diisopropylphenylbenzamido)pyridine titanium(IV)","","- C244 H256 N16 O8 Si4 Ti4 -","- C244 H256 N16 O8 Si4 Ti4 -","- C244 H256 N16 O8 Si4 Ti4 -","1","0.5","","Lui, Erica K. J.; Brandt, Jason W.; Schafer, Laurel L.","Regio- and Stereoselective Hydroamination of Alkynes Using an Ammonia Surrogate: Synthesis of N-Silylenamines as Reactive Synthons.","Journal of the American Chemical Society","2018","140","15","4973","4976","10.1021/jacs.7b13783","","","0.71073","MoKα","","0.0556","0.0396","","","0.0965","0.1046","","","","","","1.028","","","","has coordinates,has disorder","242044","2020-10-21","18:00:00",""
"4132002","12.8621","0.001","21.1899","0.0017","18.839","0.0015","90","","104.842","0.002","90","","4963.2","0.7","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(N-2,6-diisopropylphenylbenzamidate)(N-tertbutyldimethylsilylimido)pyridine titanium (IV)","","- C52 H71 N4 O2 Si Ti -","- C52 H71 N4 O2 Si Ti -","- C208 H284 N16 O8 Si4 Ti4 -","4","1","","Lui, Erica K. J.; Brandt, Jason W.; Schafer, Laurel L.","Regio- and Stereoselective Hydroamination of Alkynes Using an Ammonia Surrogate: Synthesis of N-Silylenamines as Reactive Synthons.","Journal of the American Chemical Society","2018","140","15","4973","4976","10.1021/jacs.7b13783","","x-ray","0.71073","MoKα","","0.0605","0.0427","","","0.1056","0.1155","","","","","","1.012","","","","has coordinates","242045","2020-10-21","18:00:00",""
"4132003","12.4428","0.0012","27.623","0.003","13.2015","0.0012","90","","92.073","0.002","90","","4534.5","0.8","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H66 N4 O2 Si Ti -","- C46 H66 N4 O2 Si Ti -","- C184 H264 N16 O8 Si4 Ti4 -","4","1","","Lui, Erica K. J.; Brandt, Jason W.; Schafer, Laurel L.","Regio- and Stereoselective Hydroamination of Alkynes Using an Ammonia Surrogate: Synthesis of N-Silylenamines as Reactive Synthons.","Journal of the American Chemical Society","2018","140","15","4973","4976","10.1021/jacs.7b13783","","x-ray","0.71073","MoKα","","0.047","0.0376","","","0.0886","0.0939","","","","","","1.049","","","","has coordinates","242046","2020-10-21","18:00:00",""
"4132004","4.7391","0.0005","12.8346","0.0014","14.2014","0.0016","90","","96.2262","0.0013","90","","858.7","0.16","88","2","88","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C38 H44 O12 -","2","1","","Tao, Daniel J.; Slutskyy, Yuriy; Muuronen, Mikko; Le, Alexander; Kohler, Philipp; Overman, Larry E.","Total Synthesis of (-)-Chromodorolide B By a Computationally-Guided Radical Addition/Cyclization/Fragmentation Cascade.","Journal of the American Chemical Society","2018","140","8","3091","3102","10.1021/jacs.7b13799","","","0.71073","MoKα","","0.036","0.0336","","","0.0843","0.0863","","","","","","1.038","","","","has coordinates","242047","2020-10-21","18:00:00",""
"4132005","12.7112","0.0005","14.8397","0.0006","15.9385","0.0006","90","","98.6077","0.0013","90","","2972.6","0.2","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","XC4","","","- C32 H25 Cl2 F N O3 P Pd S -","- C32 H25 Cl2 F N O3 P Pd S -","- C128 H100 Cl8 F4 N4 O12 P4 Pd4 S4 -","4","1","","Chen, Xiao-Yang; Sorensen, Erik J.","Pd-Catalyzed, ortho C-H Methylation and Fluorination of Benzaldehydes Using Orthanilic Acids as Transient Directing Groups.","Journal of the American Chemical Society","2018","140","8","2789","2792","10.1021/jacs.8b00048","","","0.71073","MoKα","","0.0397","0.0314","","","0.0736","0.0781","","","","","","1.089","","","","has coordinates,has disorder","242048","2020-10-21","18:00:00",""
"4132006","20.3631","0.0004","28.602","0.0005","12.6388","0.0002","90","","94.0855","0.0017","90","","7342.5","0.2","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H81.6 Cl4 Fe N10 O15.8 -","- C70 H80 Cl4 Fe N10 O15.8 -","- C280 H320 Cl16 Fe4 N40 O63.2 -","4","1","","Yuan, Juan; Wu, Shu-Qi; Liu, Mei-Jiao; Sato, Osamu; Kou, Hui-Zhong","Rhodamine 6G-Labeled Pyridyl Aroylhydrazone Fe(II) Complex Exhibiting Synergetic Spin Crossover and Fluorescence.","Journal of the American Chemical Society","2018","140","30","9426","9433","10.1021/jacs.8b00103","","x-ray","1.54184","CuKα","","0.0905","0.0785","","","0.2237","0.239","","","","","","1.017","","","","has coordinates,has disorder","242049","2020-10-21","18:00:00",""
"4132007","20.1522","0.0003","28.5668","0.0004","12.54945","0.00019","90","","94.1381","0.0014","90","","7205.68","0.18","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H81.6 Cl4 Fe N10 O15.8 -","- C70 H80 Cl4 Fe N10 O15.8 -","- C280 H320 Cl16 Fe4 N40 O63.2 -","4","1","","Yuan, Juan; Wu, Shu-Qi; Liu, Mei-Jiao; Sato, Osamu; Kou, Hui-Zhong","Rhodamine 6G-Labeled Pyridyl Aroylhydrazone Fe(II) Complex Exhibiting Synergetic Spin Crossover and Fluorescence.","Journal of the American Chemical Society","2018","140","30","9426","9433","10.1021/jacs.8b00103","","x-ray","1.54184","CuKα","","0.0859","0.0778","","","0.2218","0.2315","","","","","","1.024","","","","has coordinates,has disorder","242050","2020-10-21","18:00:00",""
"4132008","20.4333","0.0007","28.681","0.001","12.643","0.0005","90","","94.243","0.003","90","","7389.1","0.5","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70.78 H83.12 Cl4 N10 O15.78 Zn -","- C70.78 H80 Cl4 N10 O15.78 Zn -","- C283.12 H320 Cl16 N40 O63.12 Zn4 -","4","1","","Yuan, Juan; Wu, Shu-Qi; Liu, Mei-Jiao; Sato, Osamu; Kou, Hui-Zhong","Rhodamine 6G-Labeled Pyridyl Aroylhydrazone Fe(II) Complex Exhibiting Synergetic Spin Crossover and Fluorescence.","Journal of the American Chemical Society","2018","140","30","9426","9433","10.1021/jacs.8b00103","","x-ray","1.54184","CuKα","","0.1025","0.0731","","","0.2005","0.222","","","","","","1.027","","","","has coordinates,has disorder","242051","2020-10-21","18:00:00",""
"4132009","20.566","0.0005","28.5805","0.0008","12.7724","0.0003","90","","94.822","0.002","90","","7480.9","0.3","250","0.1","250","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H81.6 Cl4 Fe N10 O15.8 -","- C70 H80 Cl4 Fe N10 O15.8 -","- C280 H320 Cl16 Fe4 N40 O63.2 -","4","1","","Yuan, Juan; Wu, Shu-Qi; Liu, Mei-Jiao; Sato, Osamu; Kou, Hui-Zhong","Rhodamine 6G-Labeled Pyridyl Aroylhydrazone Fe(II) Complex Exhibiting Synergetic Spin Crossover and Fluorescence.","Journal of the American Chemical Society","2018","140","30","9426","9433","10.1021/jacs.8b00103","","x-ray","1.54184","CuKα","","0.1057","0.0833","","","0.2455","0.2727","","","","","","1.02","","","","has coordinates,has disorder","242052","2020-10-21","18:00:00",""
"4132010","7.071","0.002","21.45","0.008","10.258","0.003","90","","95.885","0.015","90","","1547.7","0.9","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 Br F6 O2 -","- C13 H19 Br F6 O2 -","- C52 H76 Br4 F24 O8 -","4","1","","Arnold, Andreas M.; Pöthig, Alexander; Drees, Markus; Gulder, Tanja","NXS, Morpholine, and HFIP: The Ideal Combination for Biomimetic Haliranium-Induced Polyene Cyclizations.","Journal of the American Chemical Society","2018","140","12","4344","4353","10.1021/jacs.8b00113","","x-ray","0.71073","MoKα","","0.0495","0.044","","","0.1157","0.1185","","","","","","1.087","","","","has coordinates","242053","2020-10-21","18:00:00",""
"4132011","18.1478","0.0007","6.6216","0.0003","17.9704","0.0007","90","","114.684","0.002","90","","1962.14","0.14","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 I N2 O7 -","- C17 H21 I N2 O7 -","- C68 H84 I4 N8 O28 -","4","1","","Arnold, Andreas M.; Pöthig, Alexander; Drees, Markus; Gulder, Tanja","NXS, Morpholine, and HFIP: The Ideal Combination for Biomimetic Haliranium-Induced Polyene Cyclizations.","Journal of the American Chemical Society","2018","140","12","4344","4353","10.1021/jacs.8b00113","","x-ray","0.71073","MoKα","","0.0849","0.0559","","","0.1195","0.1348","","","","","","1.026","","","","has coordinates","242054","2020-10-21","18:00:00",""
"4132012","9.5076","0.0011","9.6913","0.0011","9.753","0.0011","103.771","0.005","91.642","0.005","113.628","0.004","791.84","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 F12 N O3 -","- C10 H13 F12 N O3 -","- C20 H26 F24 N2 O6 -","2","1","","Arnold, Andreas M.; Pöthig, Alexander; Drees, Markus; Gulder, Tanja","NXS, Morpholine, and HFIP: The Ideal Combination for Biomimetic Haliranium-Induced Polyene Cyclizations.","Journal of the American Chemical Society","2018","140","12","4344","4353","10.1021/jacs.8b00113","","x-ray","0.71073","MoKα","","0.0267","0.0242","","","0.0613","0.063","","","","","","1.063","","","","has coordinates","242055","2020-10-21","18:00:00",""
"4132013","11.8321","0.0005","13.4953","0.0006","19.2839","0.0009","90","","105.58","0.001","90","","2966.1","0.2","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 N6 O5 -","- C32 H34 N6 O5 -","- C128 H136 N24 O20 -","4","1","","An, Peng; Lewandowski, Tracey M.; Erbay, Tuğçe G; Liu, Peng; Lin, Qing","Sterically Shielded, Stabilized Nitrile Imine for Rapid Bioorthogonal Protein Labeling in Live Cells.","Journal of the American Chemical Society","2018","140","14","4860","4868","10.1021/jacs.8b00126","","x-ray","0.71073","MoKα","K-L~3~","0.0414","0.0376","","","0.0979","0.1012","","","","","","1.034","","","","has coordinates","242056","2020-10-21","18:00:00",""
"4132014","18.7948","0.0008","5.1334","0.0002","21.0251","0.0009","90","","116.317","0.001","90","","1818.28","0.13","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N6 O -","- C22 H18 N6 O -","- C88 H72 N24 O4 -","4","1","","An, Peng; Lewandowski, Tracey M.; Erbay, Tuğçe G; Liu, Peng; Lin, Qing","Sterically Shielded, Stabilized Nitrile Imine for Rapid Bioorthogonal Protein Labeling in Live Cells.","Journal of the American Chemical Society","2018","140","14","4860","4868","10.1021/jacs.8b00126","","x-ray","0.71073","MoKα","K-L~3~","0.0432","0.0376","","","0.0976","0.1023","","","","","","1.045","","","","has coordinates","242057","2020-10-21","18:00:00",""
"4132015","26.948","0.002","12.8189","0.0011","14.408","0.0012","90","","109.941","0.0014","90","","4678.8","0.7","298","","298","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C2 H11 I4 N5 Pb -","- C1.91 H11 I4 N5 Pb -","- C22.92 H132 I48 N60 Pb12 -","12","1.5","","Nazarenko, Olga; Kotyrba, Martin R.; Yakunin, Sergii; Aebli, Marcel; Rainò, Gabriele; Benin, Bogdan M.; Wörle, Michael; Kovalenko, Maksym V.","Guanidinium-Formamidinium Lead Iodide: A Layered Perovskite-Related Compound with Red Luminescence at Room Temperature.","Journal of the American Chemical Society","2018","140","11","3850","3853","10.1021/jacs.8b00194","","x-ray","0.71073","MoKα","","0.0553","0.0411","","","0.0951","0.1021","","","","","","1.078","","","","has coordinates,has disorder","242058","2020-10-21","18:00:00",""
"4132016","13.4351","0.0002","13.4351","0.0002","10.3042","0.0002","90","","90","","90","","1859.93","0.05","100","2","100","2","","","","","","","","4","P 42","P 4c","77","","","","- C44 H60 Fe N2 -","- C44 H60 Fe N2 -","- C88 H120 Fe2 N4 -","2","0.5","","Schmidt, Valerie A.; Kennedy, C. Rose; Bezdek, Máté J; Chirik, Paul J.","Selective [1,4]-Hydrovinylation of 1,3-Dienes with Unactivated Olefins Enabled by Iron Diimine Catalysts.","Journal of the American Chemical Society","2018","140","9","3443","3453","10.1021/jacs.8b00245","","","1.54178","CuKα","","0.0304","0.0299","","","0.0762","0.0769","","","","","","0.944","","","","has coordinates","242059","2020-10-21","18:00:00",""
"4132017","10.8062","0.0003","18.8852","0.0005","15.2388","0.0004","90","","105.087","0.001","90","","3002.7","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H48 Fe N2 -","- C33 H48 Fe N2 -","- C132 H192 Fe4 N8 -","4","1","","Schmidt, Valerie A.; Kennedy, C. Rose; Bezdek, Máté J; Chirik, Paul J.","Selective [1,4]-Hydrovinylation of 1,3-Dienes with Unactivated Olefins Enabled by Iron Diimine Catalysts.","Journal of the American Chemical Society","2018","140","9","3443","3453","10.1021/jacs.8b00245","","","1.54178","CuKα","","0.0411","0.0379","","","0.0975","0.1006","","","","","","1.047","","","","has coordinates","242059","2020-10-21","18:00:00",""
"4132018","28.7833","0.0004","7.6635","0.0001","5.2638","0.0001","90","","90","","90","","1161.09","0.03","100","0.2","100","0.2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Gheewala, Chirag D.; Hirschi, Jennifer S.; Lee, Wai-Hang; Paley, Daniel W.; Vetticatt, Mathew J.; Lambert, Tristan H.","Asymmetric Induction via a Helically Chiral Anion: Enantioselective Pentacarboxycyclopentadiene Brønsted Acid-Catalyzed Inverse-Electron-Demand Diels-Alder Cycloaddition of Oxocarbenium Ions.","Journal of the American Chemical Society","2018","140","10","3523","3527","10.1021/jacs.8b00260","","x-ray","1.54184","CuKα","","0.028","0.0276","","","0.0694","0.0699","","","","","","1.081","","","","has coordinates","242060","2020-10-21","18:00:00",""
"4132019","15.7236","0.0003","33.2669","0.0004","27.9753","0.0005","90","","90.4715","0.0015","90","","14632.7","0.4","100","0.3","100","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C79.21 H97.21 Cl0.63 N O15 -","- C79.2108 H97.2108 Cl0.63225 N O15 -","- C633.686 H777.686 Cl5.058 N8 O120 -","8","4","","Gheewala, Chirag D.; Hirschi, Jennifer S.; Lee, Wai-Hang; Paley, Daniel W.; Vetticatt, Mathew J.; Lambert, Tristan H.","Asymmetric Induction via a Helically Chiral Anion: Enantioselective Pentacarboxycyclopentadiene Brønsted Acid-Catalyzed Inverse-Electron-Demand Diels-Alder Cycloaddition of Oxocarbenium Ions.","Journal of the American Chemical Society","2018","140","10","3523","3527","10.1021/jacs.8b00260","","x-ray","1.54184","CuKα","","0.0892","0.0717","","","0.1847","0.1989","","","","","","1.014","","","","has coordinates,has disorder","242061","2020-10-21","18:00:00",""
"4132020","14.2326","0.0002","15.8893","0.0003","21.2641","0.0004","95.728","0.0017","105.042","0.0016","109.927","0.0016","4271.09","0.15","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H60 Mn N4 O -","- C91 H60 Mn N4 O -","- C182 H120 Mn2 N8 O2 -","2","1","","Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P.","A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds.","Journal of the American Chemical Society","2018","140","12","4380","4390","10.1021/jacs.8b00350","","","1.54178","CuKα","","0.0607","0.0441","","","0.1153","0.1246","","","","","","1.047","","","","has coordinates,has disorder","242062","2020-10-21","18:00:00",""
"4132021","14.1236","0.0002","15.7359","0.0003","21.2624","0.0003","94.8197","0.0014","105.143","0.0015","109.402","0.0016","4226.02","0.13","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H59 Mn N4 O -","- C91 H59 Mn N4 O -","- C182 H118 Mn2 N8 O2 -","2","1","","Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P.","A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds.","Journal of the American Chemical Society","2018","140","12","4380","4390","10.1021/jacs.8b00350","","","1.54178","CuKα","","0.0483","0.0426","","","0.1082","0.1119","","","","","","1.027","","","","has coordinates,has disorder","242063","2020-10-21","18:00:00",""
"4132022","14.2994","0.0003","16.0576","0.0003","21.14","0.0003","95.3261","0.0013","105.447","0.0015","110.607","0.0016","4284.67","0.15","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H65 Mn N4 O -","- C97 H65 Mn N4 O -","- C194 H130 Mn2 N8 O2 -","2","1","","Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P.","A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds.","Journal of the American Chemical Society","2018","140","12","4380","4390","10.1021/jacs.8b00350","","","1.54178","CuKα","","0.0517","0.0442","","","0.119","0.1251","","","","","","1.016","","","","has coordinates,has disorder","242064","2020-10-21","18:00:00",""
"4132023","14.1015","0.0002","15.8829","0.0003","21.2236","0.0003","95.5849","0.0014","104.613","0.0014","109.579","0.0018","4246.68","0.14","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C96.08 H64.66 F0.85 Mn0.71 N4 O0.71 -","- C96.082 H64.6578 F0.847 Mn0.7114 N4 O0.7114 -","- C192.164 H129.316 F1.694 Mn1.4228 N8 O1.4228 -","2","1","","Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P.","A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds.","Journal of the American Chemical Society","2018","140","12","4380","4390","10.1021/jacs.8b00350","","","1.54178","CuKα","","0.0537","0.0476","","","0.1409","0.1474","","","","","","1.051","","","","has coordinates,has disorder","242065","2020-10-21","18:00:00",""
"4132024","14.4058","0.0005","15.7896","0.0005","21.3052","0.0006","95.599","0.002","105.387","0.003","109.867","0.003","4299.1","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H59 Cl Mn N4 -","- C91 H59 Cl Mn N4 -","- C182 H118 Cl2 Mn2 N8 -","2","1","","Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P.","A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds.","Journal of the American Chemical Society","2018","140","12","4380","4390","10.1021/jacs.8b00350","","","1.54178","CuKα","","0.0609","0.0475","","","0.1236","0.1321","","","","","","1.045","","","","has coordinates,has disorder","242066","2020-10-21","18:00:00",""
"4132025","14.1337","0.0003","15.8214","0.0003","21.3618","0.0004","95.3238","0.0016","104.934","0.0017","109.415","0.0018","4268.74","0.16","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H59 Mn N4 O -","- C91 H59 Mn N4 O -","- C182 H118 Mn2 N8 O2 -","2","1","","Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P.","A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds.","Journal of the American Chemical Society","2018","140","12","4380","4390","10.1021/jacs.8b00350","","","1.54178","CuKα","","0.0578","0.0503","","","0.139","0.1456","","","","","","1.037","","","","has coordinates,has disorder","242067","2020-10-21","18:00:00",""
"4132026","7.923","0.002","9.918","0.003","10.534","0.003","84.008","0.005","79.819","0.005","79.127","0.005","797.9","0.4","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","x0918","","- C19 H14 F5 N O -","- C19 H14 F5 N O -","- C38 H28 F10 N2 O2 -","2","1","","Xiong, Peng; Xu, He-Huan; Song, Jinshuai; Xu, Hai-Chao","Electrochemical Difluoromethylarylation of Alkynes.","Journal of the American Chemical Society","2018","140","7","2460","2464","10.1021/jacs.8b00391","","","0.71073","MoKα","","0.0618","0.0532","","","0.1397","0.1459","","","","","","1.074","","","","has coordinates","242068","2020-10-21","18:00:00",""
"4132027","13.0401","0.0015","22.315","0.0019","16.9829","0.0016","90","","94.276","0.007","90","","4928.1","0.8","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H160 Mo8 N4 O28 -","- C72 H160 Mo8 N4 O28 -","- C144 H320 Mo16 N8 O56 -","2","0.5","","Cai, Li-Xuan; Li, Shao-Chuan; Yan, Dan-Ni; Zhou, Li-Peng; Guo, Fang; Sun, Qing-Fu","Water-Soluble Redox-Active Cage Hosting Polyoxometalates for Selective Desulfurization Catalysis.","Journal of the American Chemical Society","2018","140","14","4869","4876","10.1021/jacs.8b00394","","","0.7388","Synchrotron","","0.0806","0.0663","","","0.184","0.1927","","","","","","1.079","","","","has coordinates","242069","2020-10-21","18:00:00",""
"4132028","16.7178","0.0004","34.1498","0.0006","18.9986","0.0003","90","","96.009","0.004","90","","10786.9","0.4","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C164 H120 B4 F16 N40 O24 Pd4 S3 -","- C164 H120 B4 F16 N40 O24 Pd4 S3 -","- C328 H240 B8 F32 N80 O48 Pd8 S6 -","2","0.5","","Cai, Li-Xuan; Li, Shao-Chuan; Yan, Dan-Ni; Zhou, Li-Peng; Guo, Fang; Sun, Qing-Fu","Water-Soluble Redox-Active Cage Hosting Polyoxometalates for Selective Desulfurization Catalysis.","Journal of the American Chemical Society","2018","140","14","4869","4876","10.1021/jacs.8b00394","","","1.54184","CuKα","","0.1375","0.1186","","","0.3659","0.3949","","","","","","1.63","","","","has coordinates,has disorder","242070","2020-10-21","18:00:00",""
"4132029","18.388","0.004","36.235","0.007","38.605","0.008","90","","90.18","0.03","90","","25722","9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C128 H96 B4 F16 N40 O24 Pd4 -","- C128 H96 B4 F16 N40 O24 Pd4 -","- C512 H384 B16 F64 N160 O96 Pd16 -","4","1","","Cai, Li-Xuan; Li, Shao-Chuan; Yan, Dan-Ni; Zhou, Li-Peng; Guo, Fang; Sun, Qing-Fu","Water-Soluble Redox-Active Cage Hosting Polyoxometalates for Selective Desulfurization Catalysis.","Journal of the American Chemical Society","2018","140","14","4869","4876","10.1021/jacs.8b00394","","","0.68857","synchrotron","","0.1091","0.0989","","","0.3273","0.3407","","","","","","1.539","","","","has coordinates","242071","2020-10-21","18:00:00",""
"4132030","10.8549","0.0006","17.272","0.0009","25.326","0.0013","90","","100.638","0.0016","90","","4666.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 F24 Mo2 O10 -","- C36 H38 F24 Mo2 O10 -","- C144 H152 F96 Mo8 O40 -","4","1","","Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Alkylidene Complexes through Addition of Water to an Alkylidyne Complex.","Journal of the American Chemical Society","2018","140","8","2797","2800","10.1021/jacs.8b00499","","","0.71073","MoKα","","0.0342","0.0241","","","0.0544","0.062","","","","","","1.132","","","","has coordinates,has disorder","242072","2020-10-21","18:00:00",""
"4132031","10.1656","0.001","10.6334","0.0011","14.9661","0.0015","89.0887","0.0016","71.4763","0.0015","66.749","0.0015","1398.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 F12 Mo O4 P -","- C24 H25 F12 Mo O4 P -","- C48 H50 F24 Mo2 O8 P2 -","2","1","","Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Alkylidene Complexes through Addition of Water to an Alkylidyne Complex.","Journal of the American Chemical Society","2018","140","8","2797","2800","10.1021/jacs.8b00499","","","0.71073","MoKα","","0.0207","0.0196","","","0.0472","0.0477","","","","","","1.092","","","","has coordinates","242073","2020-10-21","18:00:00",""
"4132032","18.003","0.0011","24.0118","0.0013","23.9393","0.0015","90","","90.302","0.003","90","","10348.4","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H78 Cl Mo O3 P -","- C52 H78 Cl Mo O3 P -","- C416 H624 Cl8 Mo8 O24 P8 -","8","2","","Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Alkylidene Complexes through Addition of Water to an Alkylidyne Complex.","Journal of the American Chemical Society","2018","140","8","2797","2800","10.1021/jacs.8b00499","","","0.71073","MoKα","","0.0822","0.0681","","","0.1902","0.2113","","","","","","1.042","","","","has coordinates,has disorder","242074","2020-10-21","18:00:00",""
"4132033","38.555","0.004","38.555","0.004","17.0605","0.0019","90","","90","","120","","21963","4","100","2","100","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C90.67 H44 B12 Ni0.67 O32.67 Zr6 -","- C90.6672 H44 B12.0021 Ni0.666667 O32.6667 Zr6 -","- C272.002 H132 B36.0064 Ni2 O98 Zr18 -","3","0.125","","Kung, Chung-Wei; Otake, Kenichi; Buru, Cassandra T.; Goswami, Subhadip; Cui, Yuexing; Hupp, Joseph T.; Spokoyny, Alexander M.; Farha, Omar K.","Increased Electrical Conductivity in a Mesoporous Metal-Organic Framework Featuring Metallacarboranes Guests.","Journal of the American Chemical Society","2018","140","11","3871","3875","10.1021/jacs.8b00605","","","0.71073","MoKα","","0.1423","0.1167","","","0.3224","0.3438","","","","","","1.085","","","","has coordinates,has disorder","242075","2020-10-21","18:00:00",""
"4132034","8.1648","0.0003","16.1293","0.0006","11.1095","0.0004","90","","98.45","0.002","90","","1447.16","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 B N O4 -","- C13 H24 B N O4 -","- C52 H96 B4 N4 O16 -","4","1","","Ng, Elvis Wang Hei; Low, Kam-Hung; Chiu, Pauline","Synthesis and Applications of Unquaternized C-Bound Boron Enolates.","Journal of the American Chemical Society","2018","140","10","3537","3541","10.1021/jacs.8b00614","","","1.54178","CuKα","","0.0867","0.0667","","","0.2004","0.2289","","","","","","1.062","","","","has coordinates","242076","2020-10-21","18:00:00",""
"4132035","10.3038","0.0007","16.368","0.0012","7.0296","0.0005","90","","104.63","0.0019","90","","1147.12","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N4 -","- C30 H30 N4 -","- C60 H60 N8 -","2","0.5","","Zhang, Yu; Lee, Tia S.; Petersen, Jeffrey L.; Milsmann, Carsten","A Zirconium Photosensitizer with a Long-Lived Excited State: Mechanistic Insight into Photoinduced Single-Electron Transfer.","Journal of the American Chemical Society","2018","140","18","5934","5947","10.1021/jacs.8b00742","","","0.71073","MoKα","","0.0729","0.0475","","","0.0901","0.0996","","","","","","1.075","","","","has coordinates","242077","2020-10-21","18:00:00",""
"4132036","15.0083","0.0008","16.9522","0.0009","17.9794","0.001","87.08","0.002","65.452","0.001","67.926","0.001","3825.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H106 N6 Na O11 Zr -","- C86 H106 N6 Na O11 Zr -","- C172 H212 N12 Na2 O22 Zr2 -","2","1","","Zhang, Yu; Lee, Tia S.; Petersen, Jeffrey L.; Milsmann, Carsten","A Zirconium Photosensitizer with a Long-Lived Excited State: Mechanistic Insight into Photoinduced Single-Electron Transfer.","Journal of the American Chemical Society","2018","140","18","5934","5947","10.1021/jacs.8b00742","","","0.71073","MoKα","","0.105","0.0672","","","0.1467","0.1728","","","","","","1.032","","","","has coordinates,has disorder","242078","2020-10-21","18:00:00",""
"4132037","13.039","0.002","14.398","0.002","7.8109","0.001","90","","97.6","0.02","90","","1453.5","0.4","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C38 H30 N4 O2 -","- C38 H30 N4 O2 -","- C76 H60 N8 O4 -","2","0.25","","Sun, Yanqiu; Lei, Yilong; Dong, Huanli; Zhen, Yonggang; Hu, Wenping","Solvatomechanical Bending of Organic Charge Transfer Cocrystal.","Journal of the American Chemical Society","2018","140","20","6186","6189","10.1021/jacs.8b00772","","","0.71073","MoKα","","0.062","0.0509","","","0.1455","0.1574","","","","","","1.035","","","","has coordinates","242079","2020-10-21","18:00:00",""
"4132038","11.5521","0.0006","24.1457","0.0009","19.7738","0.001","90","","106.01","0.005","90","","5301.6","0.5","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51.83 H52.66 Cl9.72 N Sb0.98 -","- C51.829 H52.658 Cl9.719 N Sb0.978 -","- C207.316 H210.632 Cl38.876 N4 Sb3.912 -","4","1","","Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi","Reversible σ-Bond Formation in Bowl-Shaped π-Radical Cations: The Effects of Curved and Planar Structures.","Journal of the American Chemical Society","2018","140","13","4649","4655","10.1021/jacs.8b00798","","","0.71073","MoKα","","0.147","0.0945","","","0.2293","0.2635","","","","","","1.083","","","","has coordinates,has disorder","242080","2020-10-21","18:00:00",""
"4132039","17.484","0.008","18.351","0.008","18.671","0.009","110.418","0.004","104.903","0.002","108.597","0.0016","4842","4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H99 Cl13 N2 Sb2 -","- C106 H99 Cl13 N2 Sb2 -","- C212 H198 Cl26 N4 Sb4 -","2","1","","Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi","Reversible σ-Bond Formation in Bowl-Shaped π-Radical Cations: The Effects of Curved and Planar Structures.","Journal of the American Chemical Society","2018","140","13","4649","4655","10.1021/jacs.8b00798","","","0.71075","MoKα","","0.0927","0.0687","","","0.2072","0.2367","","","","","","1.089","","","","has coordinates,has disorder","242081","2020-10-21","18:00:00",""
"4132040","32.3774","0.0008","12.2907","0.0003","29.9008","0.0007","90","","90.309","0.002","90","","11898.6","0.5","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C128.76 H137.19 Cl14.9 N2 O2.73 Sb2 -","- C128.758 H137.193 Cl14.9016 N2 O2.7254 Sb2 -","- C515.03 H548.77 Cl59.6064 N8 O10.9016 Sb8 -","4","0.5","","Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi","Reversible σ-Bond Formation in Bowl-Shaped π-Radical Cations: The Effects of Curved and Planar Structures.","Journal of the American Chemical Society","2018","140","13","4649","4655","10.1021/jacs.8b00798","","","0.71073","MoKα","","0.0655","0.0541","","","0.1368","0.143","","","","","","1.081","","","","has coordinates,has disorder","242082","2020-10-21","18:00:00",""
"4132041","21.4102","0.0005","30.3917","0.0005","25.3832","0.0005","90","","108.985","0.003","90","","15618.2","0.6","93","2","93","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C199.77 H195.32 N4 -","- C199.774 H195.322 N4 -","- C799.096 H781.288 N16 -","4","1","","Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi","Reversible σ-Bond Formation in Bowl-Shaped π-Radical Cations: The Effects of Curved and Planar Structures.","Journal of the American Chemical Society","2018","140","13","4649","4655","10.1021/jacs.8b00798","","","0.71073","MoKα","","0.0994","0.0607","","","0.1506","0.1795","","","","","","1.033","","","","has coordinates,has disorder","242083","2020-10-21","18:00:00",""
"4132042","35.1167","0.0005","14.8989","0.0002","30.9479","0.0004","90","","101.33","0.001","90","","15876.4","0.4","93","2","93","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C128.45 H146.48 Br4.81 I12 N24 Zn6 -","- C128.444 H146.476 Br4.804 I12 N24 Zn6 -","- C513.776 H585.904 Br19.216 I48 N96 Zn24 -","4","1","","Goh, Shermin S.; Champagne, Pier Alexandre; Guduguntla, Sureshbabu; Kikuchi, Takashi; Fujita, Makoto; Houk, K. N.; Feringa, Ben L.","Stereospecific Ring Contraction of Bromocycloheptenes through Dyotropic Rearrangements via Nonclassical Carbocation-Anion Pairs.","Journal of the American Chemical Society","2018","140","15","4986","4990","10.1021/jacs.8b00821","","","0.71075","MoKα","","0.0638","0.0565","","","0.1567","0.1625","","","","","","1.061","","","","has coordinates,has disorder","242084","2020-10-21","18:00:00",""
"4132043","17.388","0.003","5.0944","0.0009","20.83","0.004","90","","106.664","0.006","90","","1767.7","0.6","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C72 H76 N12 O16 -","4","1","","Liu, Zhen; Ni, Hui-Qi; Zeng, Tian; Engle, Keary M.","Catalytic Carbo- and Aminoboration of Alkenyl Carbonyl Compounds via Five- and Six-Membered Palladacycles.","Journal of the American Chemical Society","2018","140","9","3223","3227","10.1021/jacs.8b00881","","x-ray","0.71073","MoKα","","0.0791","0.0464","","","0.1012","0.1146","","","","","","1.012","","","","has coordinates","242085","2020-10-21","18:00:00",""
"4132044","10.566","0.0007","12.3759","0.0009","14.7842","0.001","107.368","0.003","101.454","0.003","94.717","0.004","1787.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","8b","[(1-Ad)2(2-(OCH3)C6H4)P]Pd(syn-3-CH3norborn-2-yl)NH(4-F-2-(OCH3)C6H3)","","- C42 H57 F N O2 P Pd -","- C42 H57 F N O2 P Pd -","- C84 H114 F2 N2 O4 P2 Pd2 -","2","1","","Peacock, D. Matthew; Jiang, Quan; Hanley, Patrick S.; Cundari, Thomas R.; Hartwig, John F.","Reductive Elimination from Phosphine-Ligated Alkylpalladium(II) Amido Complexes To Form sp<sup>3</sup> Carbon-Nitrogen Bonds.","Journal of the American Chemical Society","2018","140","14","4893","4904","10.1021/jacs.8b00928","","","0.71073","MoKα","","0.0336","0.0291","","","0.0648","0.0687","","","","","","1.116","","","","has coordinates","242086","2020-10-21","18:00:00",""
"4132045","8.2454","0.0007","16.806","0.0014","21.3582","0.0018","90","","99.868","0.002","90","","2915.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","8a","[t-Bu2(2-(OCH3)C6H4)P]Pd(syn-3-CH3norborn-2-yl)NH(4-F-2-(OCH3)C6H3)","","- C30 H45 F N O2 P Pd -","- C30 H45 F N O2 P Pd -","- C120 H180 F4 N4 O8 P4 Pd4 -","4","1","","Peacock, D. Matthew; Jiang, Quan; Hanley, Patrick S.; Cundari, Thomas R.; Hartwig, John F.","Reductive Elimination from Phosphine-Ligated Alkylpalladium(II) Amido Complexes To Form sp<sup>3</sup> Carbon-Nitrogen Bonds.","Journal of the American Chemical Society","2018","140","14","4893","4904","10.1021/jacs.8b00928","","","0.71073","MoKα","","0.0449","0.0394","","","0.0886","0.0924","","","","","","1.098","","","","has coordinates","242087","2020-10-21","18:00:00",""
"4132046","11.1182","0.0013","11.9143","0.0014","14.2549","0.0016","70.103","0.002","73.8","0.002","77.068","0.002","1687.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","8e","(1-Ad)2(CH3OCH2CH2)P]Pd(syn-3-CH3norborn-2-yl)NH(4-F-2-(OCH3)C6H3)","","- C38 H57 F N O2 P Pd -","- C38 H57 F N O2 P Pd -","- C76 H114 F2 N2 O4 P2 Pd2 -","2","1","","Peacock, D. Matthew; Jiang, Quan; Hanley, Patrick S.; Cundari, Thomas R.; Hartwig, John F.","Reductive Elimination from Phosphine-Ligated Alkylpalladium(II) Amido Complexes To Form sp<sup>3</sup> Carbon-Nitrogen Bonds.","Journal of the American Chemical Society","2018","140","14","4893","4904","10.1021/jacs.8b00928","","","0.71073","MoKα","","0.0525","0.0421","","","0.102","0.1087","","","","","","1.068","","","","has coordinates","242088","2020-10-21","18:00:00",""
"4132047","10.1418","0.0005","14.6984","0.0008","15.9199","0.0009","74.683","0.003","80.155","0.003","83.512","0.003","2249.4","0.2","100","2","100.05","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H33 B Cl2 F20 Ir P -","- C45 H33 B Cl2 F20 Ir P -","- C90 H66 B2 Cl4 F40 Ir2 P2 -","2","1","","Klet, Rachel C.; Kaphan, David M.; Liu, Cong; Yang, Ce; Kropf, A. Jeremy; Perras, Frédéric A; Pruski, Marek; Hock, Adam S.; Delferro, Massimiliano","Evidence for Redox Mechanisms in Organometallic Chemisorption and Reactivity on Sulfated Metal Oxides.","Journal of the American Chemical Society","2018","140","20","6308","6316","10.1021/jacs.8b00995","","","0.71073","MoKα","","0.0518","0.0413","","","0.0875","0.0908","","","","","","1.071","","","","has coordinates,has disorder","242089","2020-10-21","18:00:00",""
"4132048","9.0452","0.0008","9.0452","0.0008","6.4036","0.0011","90","","90","","90","","523.91","0.11","293","","293","","","","","","","","","5","P 4 b m","P 4 -2ab","100","39% ethylenediamonium formamidinium lead iodide","","","- C H5 I3 N2 Pb0.743 -","- C H5 I3 N2 Pb0.743 -","- C2 H10 I6 N4 Pb1.486 -","2","0.25","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0877","0.0769","","","0.1475","0.1483","","","","3.65","3.65","3.32","","","","has coordinates","242090","2020-10-21","18:00:00",""
"4132049","9.0452","0.0008","9.0452","0.0008","6.4036","0.0011","90","","90","","90","","523.91","0.11","293","","293","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","39% ethylenediamonium formamidinium lead iodide","","","- C H0 I3 N2 Pb0.755 -","- C I3 N2 Pb0.755 -","- C2 I6 N4 Pb1.51 -","2","0.125","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0664","0.0606","","","0.1071","0.1077","","","","3.01","3.01","2.86","","","","has coordinates","242091","2020-10-21","18:00:00",""
"4132050","15.54","0.002","5.0795","0.0006","5.0964","0.0007","90","","96.032","0.011","90","","400.06","0.09","293","","293","","","","","","","","","4","I 1 2/m 1","-I 2y","12","ethylenediamonium iodide","","","- C2 H10 I2 N2 -","- C2 H9 I2 N2 -","- C4 H18 I4 N4 -","2","0.25","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0518","0.045","","","0.1061","0.1071","","","","3.38","3.38","3.24","","","","has coordinates","242092","2020-10-21","18:00:00",""
"4132051","6.3652","0.0019","9.002","0.002","9.0065","0.0013","90","","90","","90","","516.1","0.2","293","","293","","","","","","","","","5","A m m 2","A 2 -2","38","27% ethylenediamonium formamidinium lead iodide","","","- C H5 I3 N2 Pb0.96 -","- C H5 I3 N2 Pb0.96 -","- C2 H10 I6 N4 Pb1.92 -","2","0.25","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.1161","0.0801","","","0.2226","0.2264","","","","3.9","3.9","3.02","","","","has coordinates","242093","2020-10-21","18:00:00",""
"4132052","16.492","0.003","4.7532","0.0011","10.4165","0.0018","90","","113.907","0.012","90","","746.5","0.3","293","","293","","","","","","","","","6","C 1 2/m 1","-C 2y","12","ethylenediamonium lead iodide","","","- C2 H12 I4 N2 O2 Pb -","- C2 H12 I4 N2 O2 Pb -","- C4 H24 I8 N4 O4 Pb2 -","2","0.25","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0692","0.0605","","","0.1326","0.1332","","","","3.61","3.61","3.36","","","","has coordinates","242094","2020-10-21","18:00:00",""
"4132053","6.343","0.003","6.343","0.003","6.34","0.003","90","","90","","90","","255.1","0.2","293","","293","","","","","","","","","5","P 4 m m","P 4 -2","99","44% ethylenediamonium methylamonium lead iodide","","","- C H6 I3 N Pb0.815 -","- C H6 I3 N Pb0.815 -","- C H6 I3 N Pb0.815 -","1","0.125","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0684","0.0433","","","0.065","0.0691","","","","1.26","1.26","1.11","","","","has coordinates","242095","2020-10-21","18:00:00",""
"4132054","6.342","0.003","6.342","0.003","6.342","0.003","90","","90","","90","","255.1","0.2","293","","293","","","","","","","","","5","P m -3 m","-P 4 2 3","221","44% ethylenediamonium methylamonium lead iodide","","","- C H0 I3 N Pb0.818 -","- C I3 N0.9996 Pb0.818 -","- C I3 N0.9996 Pb0.818 -","1","0.0208333","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0425","0.0368","","","0.0754","0.076","","","","2.37","2.37","2.26","","","","has coordinates","242096","2020-10-21","18:00:00",""
"4132055","6.3338","0.0018","6.3338","0.0018","6.3338","0.0018","90","","90","","90","","254.09","0.13","293","","293","","","","","","","","","5","P m -3 m","-P 4 2 3","221","29% ethylenediamonium methylamonium lead iodide","","","- C H0 I3 N Pb0.854 -","- C I3 N0.9996 Pb0.854 -","- C I3 N0.9996 Pb0.854 -","1","0.0208333","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0464","0.0442","","","0.0947","0.0948","","","","2.89","2.89","2.8","","","","has coordinates","242097","2020-10-21","18:00:00",""
"4132056","6.3663","0.0019","6.3663","0.0019","6.3663","0.0019","90","","90","","90","","258.02","0.13","293","","293","","","","","","","","","5","P m -3 m","-P 4 2 3","221","27% ethylenediamonium formamidinium lead iodide","","","- C H0 I3 N2 Pb0.946 -","- C I3 N2.0004 Pb0.95 -","- C I3 N2.0004 Pb0.95 -","1","0.0208333","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0752","0.0705","","","0.1613","0.1614","","","","4.47","4.47","4.15","","","","has coordinates","242098","2020-10-21","18:00:00",""
"4132057","6.3361","0.0017","6.3361","0.0017","6.329","0.002","90","","90","","90","","254.09","0.13","293","","293","","","","","","","","","5","P 4 m m","P 4 -2","99","29% ethylenediamonium methylamonium lead iodide","","","- C H6 I3 N Pb0.847 -","- C H6 I3 N Pb0.847 -","- C H6 I3 N Pb0.847 -","1","0.125","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0574","0.0461","","","0.1022","0.1031","","","","2.12","2.12","1.75","","","","has coordinates","242099","2020-10-21","18:00:00",""
"4132058","12.3598","0.0005","8.1021","0.0003","14.4042","0.0005","90","","104.805","0.004","90","","1394.55","0.09","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","2","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.0761","0.0485","","","0.1087","0.1232","","","","","","1.011","","","","has coordinates","242100","2020-10-21","18:00:00",""
"4132059","13.46881","0.00019","23.5381","0.0003","14.6728","0.0002","90","","96.9576","0.0013","90","","4617.47","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H55 Cl3 N2 Ni -","- C55 H55 Cl3 N2 Ni -","- C220 H220 Cl12 N8 Ni4 -","4","2","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.044","0.0392","","","0.1044","0.1085","","","","","","1.03","","","","has coordinates,has disorder","242101","2020-10-21","18:00:00",""
"4132060","11.672","0.0004","18.1421","0.0005","18.3663","0.0005","90","","90","","90","","3889.1","0.2","140.01","0.1","140.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C49 H48 N2 -","- C49 H48 N2 -","- C196 H192 N8 -","4","1","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.0846","0.0515","","","0.1073","0.1166","","","","","","0.896","","","","has coordinates","242102","2020-10-21","18:00:00",""
"4132061","17.77519","0.00018","19.4896","0.0002","16.16113","0.00019","90","","90","","90","","5598.72","0.1","100","0.1","100","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C59 H52 Au Cl N2 -","- C59 H52 Au Cl N2 -","- C236 H208 Au4 Cl4 N8 -","4","0.5","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.0236","0.023","","","0.0595","0.0599","","","","","","1.033","","","","has coordinates","242103","2020-10-21","18:00:00",""
"4132062","12.34517","0.00016","21.7875","0.0003","22.0081","0.0003","90","","98.0106","0.0012","90","","5861.77","0.14","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71 H65 Cl N2 Ni -","- C71 H65 Cl N2 Ni -","- C284 H260 Cl4 N8 Ni4 -","4","2","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.055","0.0491","","","0.1261","0.1323","","","","","","1.018","","","","has coordinates","242104","2020-10-21","18:00:00",""
"4132063","15.8368","0.0006","11.3047","0.0003","14.2276","0.0005","90","","114.29","0.004","90","","2321.68","0.15","99.9","0.3","99.9","0.3","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51 H52 Au Cl5 N2 -","- C51 H52 Au Cl5 N2 -","- C102 H104 Au2 Cl10 N4 -","2","0.5","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.0531","0.0531","","","0.1463","0.1463","","","","","","1.074","","","","has coordinates","242105","2020-10-21","18:00:00",""
"4132064","8.6511","0.0003","22.3002","0.0009","12.8632","0.0006","90","","95.8418","0.0019","90","","2468.7","0.17","100","2","100.02","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 Fe P -","- C26 H43 Fe P -","- C104 H172 Fe4 P4 -","4","1","","Smith, Patrick W.; Tilley, T. Don","Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing.","Journal of the American Chemical Society","2018","140","11","3880","3883","10.1021/jacs.8b01185","","","0.71073","MoKα","","0.0316","0.0272","","","0.0677","0.0703","","","","","","1.055","","","","has coordinates","242106","2020-10-21","18:00:00",""
"4132065","15.6114","0.0011","26.303","0.002","16.3706","0.0012","90","","90.023","0.001","90","","6722.2","0.9","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H57 Fe N2 P Si -","- C32 H57 Fe N2 P Si -","- C256 H456 Fe8 N16 P8 Si8 -","8","2","","Smith, Patrick W.; Tilley, T. Don","Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing.","Journal of the American Chemical Society","2018","140","11","3880","3883","10.1021/jacs.8b01185","","","0.71073","MoKα","","0.086","0.0592","","","0.1238","0.1419","","","","","","1.024","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4132066","10.3308","0.0012","10.7423","0.0012","13.3532","0.0015","77.326","0.002","83.547","0.002","74.207","0.002","1389","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H43 Fe N2 P Si -","- C29 H43 Fe N2 P Si -","- C58 H86 Fe2 N4 P2 Si2 -","2","1","","Smith, Patrick W.; Tilley, T. Don","Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing.","Journal of the American Chemical Society","2018","140","11","3880","3883","10.1021/jacs.8b01185","","","0.71073","MoKα","","0.0272","0.0257","","","0.0645","0.066","","","","","","1.061","","","","has coordinates","242108","2020-10-21","18:00:00",""
"4132067","27.887","0.003","11.5982","0.0013","11.5654","0.001","90","","90","","90","","3740.7","0.7","100","2","99.99","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C41.01 H60.01 Fe P Si -","- C41 H60 Fe P Si -","- C164 H240 Fe4 P4 Si4 -","4","0.5","","Smith, Patrick W.; Tilley, T. Don","Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing.","Journal of the American Chemical Society","2018","140","11","3880","3883","10.1021/jacs.8b01185","","","0.71073","MoKα","","0.1106","0.0657","","","0.0973","0.1075","","","","","","1.13","","","","has coordinates,has disorder","242109","2020-10-21","18:00:00",""
"4132068","12.1407","0.0009","10.2012","0.0007","26.3408","0.0019","90","","90.418","0.005","90","","3262.2","0.4","100","","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H57 Fe P Si -","- C32 H57 Fe P Si -","- C128 H228 Fe4 P4 Si4 -","4","1","","Smith, Patrick W.; Tilley, T. Don","Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing.","Journal of the American Chemical Society","2018","140","11","3880","3883","10.1021/jacs.8b01185","","","0.71073","MoKα","","0.0774","0.0634","","","0.1493","0.157","","","","","","1.164","","","","has coordinates","242110","2020-10-21","18:00:00",""
"4132069","14.0318","0.0003","15.674","0.0003","33.3126","0.0006","90","","90","","90","","7326.6","0.2","100","2","100.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C82 H118 Fe2 P2 Si2 -","- C82 H118 Fe2 P2 Si2 -","- C328 H472 Fe8 P8 Si8 -","4","0.5","","Smith, Patrick W.; Tilley, T. Don","Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing.","Journal of the American Chemical Society","2018","140","11","3880","3883","10.1021/jacs.8b01185","","","0.71073","MoKα","","0.0481","0.0353","","","0.0845","0.0916","","","","","","1.036","","","","has coordinates,has disorder","242111","2020-10-21","18:00:00",""
"4132070","13.9333","0.0008","12.3236","0.0006","16.8031","0.0009","90","","109.674","0.002","90","","2716.8","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 N O3 P Pd -","- C29 H34 N O3 P Pd -","- C116 H136 N4 O12 P4 Pd4 -","4","1","","Zhu, Ru-Yi; Li, Zi-Qi; Park, Han Seul; Senanayake, Chris H.; Yu, Jin-Quan","Ligand-Enabled γ-C(sp<sup>3</sup>)-H Activation of Ketones.","Journal of the American Chemical Society","2018","140","10","3564","3568","10.1021/jacs.8b01359","","x-ray","0.71073","MoKα","","0.0293","0.0221","","","0.049","0.0524","","","","","","1.039","","","","has coordinates","242112","2020-10-21","18:00:00",""
"4132071","8.1391","0.0003","18.5972","0.0008","16.2536","0.0007","90","","101.985","0.003","90","","2406.59","0.17","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Au F9 I N3 O4 S2 -","- C18 H10 Au F9 I N3 O4 S2 -","- C72 H40 Au4 F36 I4 N12 O16 S8 -","4","1","","Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A.","Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center.","Journal of the American Chemical Society","2018","140","12","4440","4445","10.1021/jacs.8b01411","","","0.71073","MoKα","","0.0367","0.0247","","","0.0424","0.0452","","","","","","1.014","","","","has coordinates","242113","2020-10-21","18:00:00",""
"4132072","11.0172","0.0003","8.4253","0.0002","27.8416","0.0007","90","","100.394","0.0018","90","","2541.94","0.11","100","2","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Au F8 I2 N3 O4 S2 -","- C18 H10 Au F8 I2 N3 O4 S2 -","- C72 H40 Au4 F32 I8 N12 O16 S8 -","4","1","","Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A.","Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center.","Journal of the American Chemical Society","2018","140","12","4440","4445","10.1021/jacs.8b01411","","","0.71073","MoKα","","0.0504","0.0336","","","0.0581","0.0622","","","","","","1.048","","","","has coordinates","242114","2020-10-21","18:00:00",""
"4132073","9.7482","0.0004","18.0342","0.0006","20.0241","0.0007","92.573","0.002","102.927","0.002","95.368","0.002","3408.1","0.2","101","2","101.13","","","","","","","","","8","P -1","-P 1","2","","","","- C31 H23 Au F8 I N3 O4 S2 -","- C31 H23 Au F8 I N3 O4 S2 -","- C124 H92 Au4 F32 I4 N12 O16 S8 -","4","2","","Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A.","Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center.","Journal of the American Chemical Society","2018","140","12","4440","4445","10.1021/jacs.8b01411","","","0.71073","MoKα","","0.0303","0.0233","","","0.0453","0.0469","","","","","","1.011","","","","has coordinates,has disorder","242115","2020-10-21","18:00:00",""
"4132074","8.1314","0.0003","14.0057","0.0006","17.569","0.0007","90","","90.71","0.002","90","","2000.71","0.14","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Au F8 N3 O4 S2 -","- C14 H10 Au F8 N3 O4 S2 -","- C56 H40 Au4 F32 N12 O16 S8 -","4","1","","Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A.","Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center.","Journal of the American Chemical Society","2018","140","12","4440","4445","10.1021/jacs.8b01411","","","0.71073","MoKα","","0.0204","0.0179","","","0.0451","0.0462","","","","","","1.065","","","","has coordinates,has disorder","242116","2020-10-21","18:00:00",""
"4132075","14.6761","0.0003","10.1045","0.0002","16.7196","0.0003","90","","108.482","0.001","90","","2351.54","0.08","100","2","100.02","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 Au F8 I N3 O4 S3 -","- C16 H9 Au F8 I N3 O4 S3 -","- C64 H36 Au4 F32 I4 N12 O16 S12 -","4","1","","Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A.","Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center.","Journal of the American Chemical Society","2018","140","12","4440","4445","10.1021/jacs.8b01411","","","0.71073","MoKα","","0.0264","0.0208","","","0.0435","0.0451","","","","","","1.022","","","","has coordinates,has disorder","242117","2020-10-21","18:00:00",""
"4132076","8.2089","0.0002","16.0113","0.0004","19.2265","0.0004","90","","97.1398","0.0013","90","","2507.44","0.1","100","2","100.04","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Au Cl F8 I N3 O4 S2 -","- C18 H10 Au Cl F8 I N3 O4 S2 -","- C72 H40 Au4 Cl4 F32 I4 N12 O16 S8 -","4","1","","Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A.","Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center.","Journal of the American Chemical Society","2018","140","12","4440","4445","10.1021/jacs.8b01411","","","0.71073","MoKα","","0.0259","0.0201","","","0.0398","0.0414","","","","","","1.042","","","","has coordinates","242118","2020-10-21","18:00:00",""
"4132077","8.1277","0.0003","12.1214","0.0004","12.9584","0.0004","102.843","0.0018","96.108","0.002","91.9896","0.0019","1235.4","0.07","100","2","100.01","","","","","","","","","8","P -1","-P 1","2","","","","- C19 H13 Au F8 I N3 O5 S2 -","- C19 H13 Au F8 I N3 O5 S2 -","- C38 H26 Au2 F16 I2 N6 O10 S4 -","2","1","","Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A.","Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center.","Journal of the American Chemical Society","2018","140","12","4440","4445","10.1021/jacs.8b01411","","","0.71073","MoKα","","0.0246","0.0222","","","0.0559","0.057","","","","","","1.041","","","","has coordinates","242119","2020-10-21","18:00:00",""
"4132078","28.2502","0.0004","12.9485","0.0001","28.5346","0.0004","90","","117.361","0.002","90","","9270.2","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87 H66 Cl13 Ir N2 O7 P2 -","- C87 H66 Cl13 Ir N2 O7 P2 -","- C348 H264 Cl52 Ir4 N8 O28 P8 -","4","1","","Petrone, David A.; Isomura, Mayuko; Franzoni, Ivan; Rössler, Simon L; Carreira, Erick M.","Allenylic Carbonates in Enantioselective Iridium-Catalyzed Alkylations.","Journal of the American Chemical Society","2018","140","13","4697","4704","10.1021/jacs.8b01416","","x-ray","1.54184","CuKα","","0.0808","0.0739","","","0.2376","0.2433","","","","","","1.583","","","","has coordinates,has disorder","242120","2020-10-21","18:00:00",""
"4132079","5.1673","0.0001","8.8734","0.0001","46.1987","0.0004","90","","90","","90","","2118.28","0.05","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Br N O2 -","- C25 H24 Br N O2 -","- C100 H96 Br4 N4 O8 -","4","1","","Petrone, David A.; Isomura, Mayuko; Franzoni, Ivan; Rössler, Simon L; Carreira, Erick M.","Allenylic Carbonates in Enantioselective Iridium-Catalyzed Alkylations.","Journal of the American Chemical Society","2018","140","13","4697","4704","10.1021/jacs.8b01416","","x-ray","1.54184","CuKα","","0.0519","0.0514","","","0.129","0.1293","","","","","","1.221","","","","has coordinates,has disorder","242121","2020-10-21","18:00:00",""
"4132080","5.0689","0.0001","35.6007","0.0008","6.3931","0.0002","90","","110.04","0.001","90","","1083.82","0.05","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Cl2 N2 O4 -","- C24 H24 Cl2 N2 O4 -","- C48 H48 Cl4 N4 O8 -","2","0.5","","Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin","Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs.","Journal of the American Chemical Society","2018","140","24","7519","7525","10.1021/jacs.8b01421","","","1.54178","CuKα","","0.0494","0.0469","","","0.1384","0.1402","","","","","","1.124","","","","has coordinates","242122","2020-10-21","18:00:00",""
"4132081","4.641","0.002","8.2418","0.0017","14.425","0.004","79.39","0.019","83.33","0.03","88.51","0.02","538.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","GEP1","","","- C24 H24 Cl2 N2 O4 -","- C24 H24 Cl2 N2 O4 -","- C24 H24 Cl2 N2 O4 -","1","0.5","","Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin","Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs.","Journal of the American Chemical Society","2018","140","24","7519","7525","10.1021/jacs.8b01421","","","1.54178","CuKα","","0.0354","0.0346","","","0.093","0.0936","","","","","","1.066","","","","has coordinates","242123","2020-10-21","18:00:00",""
"4132082","5.1899","0.0003","6.6276","0.0004","18.7943","0.0011","94.542","0.001","95.57","0.001","108.608","0.001","605.6","0.06","90","0.2","90","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H6 Br2 F14 N2 O4 -","- C22 H6 Br2 F14 N2 O4 -","- C22 H6 Br2 F14 N2 O4 -","1","0.5","","Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin","Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs.","Journal of the American Chemical Society","2018","140","24","7519","7525","10.1021/jacs.8b01421","","","1.54178","CuKα","","0.0329","0.0328","","","0.0823","0.0823","","","","","","1.142","","","","has coordinates","242124","2020-10-21","18:00:00",""
"4132083","5.2089","0.0003","6.3003","0.0004","20.6203","0.0014","83.772","0.003","86.99","0.003","69.934","0.003","631.8","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","GEP2","","","- C24 H6 Cl2 F18 N2 O4 -","- C24 H6 Cl2 F18 N2 O4 -","- C24 H6 Cl2 F18 N2 O4 -","1","0.5","","Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin","Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs.","Journal of the American Chemical Society","2018","140","24","7519","7525","10.1021/jacs.8b01421","","","1.54178","CuKα","","0.043","0.0415","","","0.1123","0.1132","","","","","","1.192","","","","has coordinates","242125","2020-10-21","18:00:00",""
"4132084","12.0361","0.0009","16.7027","0.0012","5.9578","0.0005","90","","104.27","0.004","90","","1160.77","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","GEP7 phase 2","","","- C22 H6 Br2 F14 N2 O4 -","- C22 H6 Br2 F14 N2 O4 -","- C44 H12 Br4 F28 N4 O8 -","2","0.5","","Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin","Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs.","Journal of the American Chemical Society","2018","140","24","7519","7525","10.1021/jacs.8b01421","","","1.54178","CuKα","","0.0385","0.0372","","","0.0928","0.0942","","","","","","1.09","","","","has coordinates","242126","2020-10-21","18:00:00",""
"4132085","11.1186","0.0005","15.8136","0.0008","23.5352","0.0012","73.085","0.004","86.315","0.004","69.691","0.004","3709.8","0.3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H107 K N12 Ni4 O3 -","- C78 H107 K N12 Ni4 O3 -","- C156 H214 K2 N24 Ni8 O6 -","2","1","","Duan, Peng-Cheng; Manz, Dennis-Helmut; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Reductive O<sub>2</sub> Binding at a Dihydride Complex Leading to Redox Interconvertible μ-1,2-Peroxo and μ-1,2-Superoxo Dinickel(II) Intermediates.","Journal of the American Chemical Society","2018","140","14","4929","4939","10.1021/jacs.8b01468","","","0.71073","MoKα","","0.1098","0.0513","","","0.0978","0.1141","","","","","","0.863","","","","has coordinates,has disorder","242127","2020-10-21","18:00:00",""
"4132086","11.2912","0.0002","25.8683","0.0004","27.1074","0.0004","90","","90","","90","","7917.6","0.2","133","2","133","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C79 H117 K N6 Ni2 O13 -","- C79 H117 K N6 Ni2 O13 -","- C316 H468 K4 N24 Ni8 O52 -","4","0.5","","Duan, Peng-Cheng; Manz, Dennis-Helmut; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Reductive O<sub>2</sub> Binding at a Dihydride Complex Leading to Redox Interconvertible μ-1,2-Peroxo and μ-1,2-Superoxo Dinickel(II) Intermediates.","Journal of the American Chemical Society","2018","140","14","4929","4939","10.1021/jacs.8b01468","","","0.71073","MoKα","","0.06","0.0418","","","0.0994","0.1144","","","","","","1.114","","","","has coordinates,has disorder","242127","2020-10-21","18:00:00",""
"4132087","17.3032","0.0005","14.2469","0.0004","17.1692","0.0005","90","","113.291","0.002","90","","3887.6","0.2","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H57 N6 Ni2 O2.5 -","- C41 H57 N6 Ni2 O2.5 -","- C164 H228 N24 Ni8 O10 -","4","1","","Duan, Peng-Cheng; Manz, Dennis-Helmut; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Reductive O<sub>2</sub> Binding at a Dihydride Complex Leading to Redox Interconvertible μ-1,2-Peroxo and μ-1,2-Superoxo Dinickel(II) Intermediates.","Journal of the American Chemical Society","2018","140","14","4929","4939","10.1021/jacs.8b01468","","","0.71073","MoKα","","0.0477","0.0347","","","0.0776","0.0817","","","","","","1.027","","","","has coordinates,has disorder","242127","2020-10-21","18:00:00",""
"4132088","18.5261","0.0008","16.442","0.0007","13.6294","0.0006","90","","118.32","0.003","90","","3654.7","0.3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H54 N6 Ni2 O -","- C39 H54 N6 Ni2 O -","- C156 H216 N24 Ni8 O4 -","4","0.5","","Duan, Peng-Cheng; Manz, Dennis-Helmut; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Reductive O<sub>2</sub> Binding at a Dihydride Complex Leading to Redox Interconvertible μ-1,2-Peroxo and μ-1,2-Superoxo Dinickel(II) Intermediates.","Journal of the American Chemical Society","2018","140","14","4929","4939","10.1021/jacs.8b01468","","","0.71073","MoKα","","0.0308","0.0267","","","0.0719","0.0736","","","","","","1.057","","","","has coordinates","242127","2020-10-21","18:00:00",""
"4132089","64.922","0.0017","38.8988","0.0009","43.3302","0.0012","90","","93.821","0.002","90","","109182","5","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C700 H862 N173 O140 P8 -","- C798 H390 N177 O140 P8 -","- C3192 H1560 N708 O560 P32 -","4","0.5","","Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao","Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage.","Journal of the American Chemical Society","2018","140","15","5248","5256","10.1021/jacs.8b01488","","","1.54178","CuKα","","0.1827","0.1355","","","0.3429","0.3901","","","","","","1.199","","","","has coordinates,has disorder","242128","2020-10-21","18:00:00",""
"4132090","24.088","0.0006","60.3283","0.0014","67.581","0.003","90","","90","","90","","98208","5","100","2","100.15","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C177.96 H221.9 N43.99 O40 P2 -","- C173.952 H191.88 N43.494 O40 P2 -","- C2783.23 H3070.08 N695.904 O640 P32 -","16","0.5","","Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao","Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage.","Journal of the American Chemical Society","2018","140","15","5248","5256","10.1021/jacs.8b01488","","","1.54178","CuKα","","0.1212","0.1017","","","0.2761","0.2891","","","","","","1.132","","","","has coordinates","242128","2020-10-21","18:00:00",""
"4132091","43.47","0.003","39.035","0.003","58.398","0.005","90","","98.34","0.003","90","","98045","13","153","2","152.99","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C676.5 H419.5 K7 N157.25 O164 P8 -","- C676.615 H419.537 K7 N157.436 O164 P8 -","- C2706.46 H1678.15 K28 N629.743 O656 P32 -","4","0.5","","Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao","Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage.","Journal of the American Chemical Society","2018","140","15","5248","5256","10.1021/jacs.8b01488","","","1.54178","CuKα","","0.2138","0.1407","","","0.3616","0.4381","","","","","","1.108","","","","has coordinates","242128","2020-10-21","18:00:00",""
"4132092","10.193","0.0002","7.5099","0.0002","13.7839","0.0002","90","","103.819","0.002","90","","1024.59","0.04","150","0.1","150","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C19 H19 Br F3 N O2 S2 -","- C19 H19 Br F3 N O2 S2 -","- C38 H38 Br2 F6 N2 O4 S4 -","2","1","","Liu, Xiang; Liang, Yaoyu; Ji, Jieying; Luo, Jie; Zhao, Xiaodan","Chiral Selenide-Catalyzed Enantioselective Allylic Reaction and Intermolecular Difunctionalization of Alkenes: Efficient Construction of C-SCF<sub>3</sub> Stereogenic Molecules.","Journal of the American Chemical Society","2018","140","14","4782","4786","10.1021/jacs.8b01513","","x-ray","1.54184","CuKα","","0.0622","0.0612","","","0.196","0.1972","","","","","","1.122","","","","has coordinates","242129","2020-10-21","18:00:00",""
"4132093","5.6971","0.0002","7.5256","0.0002","37.5923","0.0009","90","","90","","90","","1611.74","0.08","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 F4 S -","- C18 H18 F4 S -","- C72 H72 F16 S4 -","4","1","","Liu, Xiang; Liang, Yaoyu; Ji, Jieying; Luo, Jie; Zhao, Xiaodan","Chiral Selenide-Catalyzed Enantioselective Allylic Reaction and Intermolecular Difunctionalization of Alkenes: Efficient Construction of C-SCF<sub>3</sub> Stereogenic Molecules.","Journal of the American Chemical Society","2018","140","14","4782","4786","10.1021/jacs.8b01513","","","1.54178","CuKα","","0.0415","0.0407","","","0.1094","0.11","","","","","","1.093","","","","has coordinates","242130","2020-10-21","18:00:00",""
"4132094","27.0451","0.0015","8.1328","0.0004","8.4296","0.0004","90","","90.081","0.004","90","","1854.11","0.16","298.15","","298.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","tetra(butylammonium) octabromoargentobismuthate","","- C16 H48 Ag Bi Br8 N4 -","- C16 H48 Ag Bi Br8 N4 -","- C32 H96 Ag2 Bi2 Br16 N8 -","2","0.25","","Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>.","Journal of the American Chemical Society","2018","140","15","5235","5240","10.1021/jacs.8b01543","","x-ray","0.9919","synchrotron","","0.0431","0.0366","","","0.0915","0.0977","","","","","","1.167","","","","has coordinates,has disorder","242134","2020-10-21","18:00:00",""
"4132095","8.014","0.0004","7.8357","0.0003","19.6573","0.0009","90","","101.737","0.002","90","","1208.58","0.09","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","bis(butylammonium) cesium heptabromoargentobismuthate","","- C8 H24 Ag Bi Br7 Cs N2 -","- C8 H24 Ag Bi Br7 Cs N2 -","- C16 H48 Ag2 Bi2 Br14 Cs2 N4 -","2","1","","Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>.","Journal of the American Chemical Society","2018","140","15","5235","5240","10.1021/jacs.8b01543","","x-ray","0.6888","synchrotron","","0.0236","0.0224","","","0.0498","0.0503","","","","","","1.079","","","","has coordinates","242136","2020-10-21","18:00:00",""
"4132096","8.0848","0.0003","7.9801","0.0003","19.8422","0.0008","90","","101.755","0.002","90","","1253.32","0.08","298","","298","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","bis(butylammonium) cesium heptabromoargentobismuthate","","- C8 H24 Ag Bi Br7 Cs N2 -","- C8 H24 Ag Bi Br7 Cs N2 -","- C16 H48 Ag2 Bi2 Br14 Cs2 N4 -","2","0.5","","Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>.","Journal of the American Chemical Society","2018","140","15","5235","5240","10.1021/jacs.8b01543","","x-ray","0.6888","synchrotron","","0.0317","0.0275","","","0.0646","0.0669","","","","","","1.087","","","","has coordinates,has disorder","242138","2020-10-21","18:00:00",""
"4132097","8.1896","0.0004","8.0524","0.0004","26.779","0.0014","90","","90.049","0.003","90","","1765.97","0.15","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetra(butylammonium) octabromoargentobismuthate","","- C16 H48 Ag Bi Br8 N4 -","- C16 H48 Ag Bi Br8 N4 -","- C32 H96 Ag2 Bi2 Br16 N8 -","2","0.5","","Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>.","Journal of the American Chemical Society","2018","140","15","5235","5240","10.1021/jacs.8b01543","","x-ray","0.6888","synchrotron","","0.0413","0.0351","","","0.0672","0.0694","","","","","","1.103","","","","has coordinates","242139","2020-10-21","18:00:00",""
"4132098","10.9576","0.0008","20.9044","0.0018","8.4845","0.0006","90","","100.185","0.004","90","","1912.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C80 H88 N8 O32 -","8","2","","Discekici, Emre H.; St Amant, Andre H.; Nguyen, Shay N.; Lee, In-Hwan; Hawker, Craig J.; Read de Alaniz, Javier","Endo and Exo Diels-Alder Adducts: Temperature-Tunable Building Blocks for Selective Chemical Functionalization.","Journal of the American Chemical Society","2018","140","15","5009","5013","10.1021/jacs.8b01544","","","0.71073","MoKα","","0.0769","0.0441","","","0.0908","0.1048","","","","","","1.018","","","","has coordinates","242140","2020-10-21","18:00:00",""
"4132099","7.3408","0.0003","11.2168","0.0005","14.4712","0.0007","102.926","0.002","91.521","0.002","98.753","0.002","1145.57","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 N2 O10 -","- C26 H18 N2 O10 -","- C52 H36 N4 O20 -","2","1","","Hou, Jing; Ee, Aloysius; Feng, Wei; Xu, Jin-Hui; Zhao, Yu; Wu, Jie","Visible-Light-Driven Alkyne Hydro-/Carbocarboxylation Using CO<sub>2</sub> via Iridium/Cobalt Dual Catalysis for Divergent Heterocycle Synthesis.","Journal of the American Chemical Society","2018","140","15","5257","5263","10.1021/jacs.8b01561","","","1.54178","CuKα","","0.0383","0.031","","","0.0742","0.0835","","","","","","1.048","","","","has coordinates","242141","2020-10-21","18:00:00",""
"4132100","22.7031","0.0011","5.8682","0.0004","16.6098","0.0008","90","","107.064","0.005","90","","2115.4","0.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H23 Br N2 -","- C26 H23 Br N2 -","- C104 H92 Br4 N8 -","4","1","","Yin, Yanli; Dai, Yating; Jia, Hongshao; Li, Jiangtao; Bu, Liwei; Qiao, Baokun; Zhao, Xiaowei; Jiang, Zhiyong","Conjugate Addition-Enantioselective Protonation of N-Aryl Glycines to α-Branched 2-Vinylazaarenes via Cooperative Photoredox and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","19","6083","6087","10.1021/jacs.8b01575","","x-ray","1.54184","CuKα","","0.0461","0.0407","","","0.0975","0.1021","","","","","","1.076","","","","has coordinates","242143","2020-10-21","18:00:00",""
"4132101","8.1385","0.0002","11.9075","0.0004","18.1107","0.0006","90","","95.295","0.001","90","","1747.6","0.09","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ru-PD","","","- C11 H19 Cl N O9 Ru2 -","- C11 H19 Cl N O9 Ru2 -","- C44 H76 Cl4 N4 O36 Ru8 -","4","1","","Lan, Guangxu; Zhu, Yuan-Yuan; Veroneau, Samuel S.; Xu, Ziwan; Micheroni, Daniel; Lin, Wenbin","Electron Injection from Photoexcited Metal-Organic Framework Ligands to Ru<sub>2</sub> Secondary Building Units for Visible-Light-Driven Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","16","5326","5329","10.1021/jacs.8b01601","","x-ray","0.41328","","","0.028","0.0279","","","0.0743","0.0744","","","","","","1.106","","","","has coordinates","242144","2020-10-21","18:00:00",""
"4132102","8.7321","0.0011","21.947","0.003","22.807","0.003","90.743","0.002","93.98","0.003","92.211","0.003","4356.5","1","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H31 N5 O11 Ru3 -","- C51 H31 N5 O11 Ru3 -","- C102 H62 N10 O22 Ru6 -","2","1","","Lan, Guangxu; Zhu, Yuan-Yuan; Veroneau, Samuel S.; Xu, Ziwan; Micheroni, Daniel; Lin, Wenbin","Electron Injection from Photoexcited Metal-Organic Framework Ligands to Ru<sub>2</sub> Secondary Building Units for Visible-Light-Driven Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","16","5326","5329","10.1021/jacs.8b01601","","","0.41328","","","0.1599","0.1478","","","0.4131","0.4295","","","","","","1.864","","","","has coordinates","242145","2020-10-21","18:00:00",""
"4132103","43.3239","0.0011","25.6455","0.0009","10.7279","0.0003","90","","90","","90","","11919.4","0.6","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C68 H79 N5 O6 -","- C68 H79 N5 O6 -","- C544 H632 N40 O48 -","8","1","","Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M.","Efficient Multicomponent Active Template Synthesis of Catenanes.","Journal of the American Chemical Society","2018","140","14","4787","4791","10.1021/jacs.8b01602","","","0.71073","MoKα","","0.1096","0.089","","","0.1752","0.1858","","","","","","1.124","","","","has coordinates,has disorder","242146","2020-10-21","18:00:00",""
"4132104","9.6022","0.0002","17.0018","0.0002","17.6771","0.0003","90","","102.232","0.002","90","","2820.35","0.09","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C63 H63 N11 O7 -","- C63 H63 N11 O7 -","- C126 H126 N22 O14 -","2","1","","Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M.","Efficient Multicomponent Active Template Synthesis of Catenanes.","Journal of the American Chemical Society","2018","140","14","4787","4791","10.1021/jacs.8b01602","","","0.71073","MoKα","","0.0586","0.0478","","","0.0917","0.097","","","","","","1.017","","","","has coordinates","242147","2020-10-21","18:00:00",""
"4132105","9.0601","0.0002","10.8306","0.0002","27.6685","0.0005","100.369","0.002","93.561","0.002","99.092","0.002","2625.63","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H71 N5 O4 -","- C64 H71 N5 O4 -","- C128 H142 N10 O8 -","2","1","","Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M.","Efficient Multicomponent Active Template Synthesis of Catenanes.","Journal of the American Chemical Society","2018","140","14","4787","4791","10.1021/jacs.8b01602","","","1.54184","CuKα","","0.046","0.0382","","","0.0927","0.0978","","","","","","1.032","","","","has coordinates","242148","2020-10-21","18:00:00",""
"4132106","11.0999","0.0001","20.1467","0.0002","24.9074","0.0003","84.847","0.001","81.686","0.001","74.103","0.001","5293.25","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H65 N9 O4 -","- C62 H65 N9 O4 -","- C248 H260 N36 O16 -","4","2","","Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M.","Efficient Multicomponent Active Template Synthesis of Catenanes.","Journal of the American Chemical Society","2018","140","14","4787","4791","10.1021/jacs.8b01602","","","0.71073","MoKα","","0.1001","0.0689","","","0.1278","0.141","","","","","","1.076","","","","has coordinates","242149","2020-10-21","18:00:00",""
"4132107","16.0021","0.0006","20.8606","0.0006","20.1134","0.0007","90","","100.792","0.004","90","","6595.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C67 H62 Cl6 N16 O4 -","- C67 H62 Cl6 N16 O4 -","- C268 H248 Cl24 N64 O16 -","4","1","","Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M.","Efficient Multicomponent Active Template Synthesis of Catenanes.","Journal of the American Chemical Society","2018","140","14","4787","4791","10.1021/jacs.8b01602","","","0.71073","MoKα","","0.1597","0.1127","","","0.2785","0.3109","","","","","","1.068","","","","has coordinates","242150","2020-10-21","18:00:00",""
"4132108","19.379","0.004","5.3296","0.0005","15.117","0.003","90","","111.02","0.02","90","","1457.4","0.5","293","2","293.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H18 O2 Si -","- C15 H18 O2 Si -","- C60 H72 O8 Si4 -","4","1","","Cheng, Biao; Liu, Wenbo; Lu, Zhan","Iron-Catalyzed Highly Enantioselective Hydrosilylation of Unactivated Terminal Alkenes.","Journal of the American Chemical Society","2018","140","15","5014","5017","10.1021/jacs.8b01638","","","1.54184","CuKα","","0.1107","0.1014","","","0.2625","0.2829","","","","","","1.18","","","","has coordinates","242151","2020-10-21","18:00:00",""
"4132109","10.363","0.0004","19.5669","0.0007","20.1438","0.0007","90","","90","","90","","4084.6","0.3","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H43 Cl2 Fe N3 O2 -","- C46 H43 Cl2 Fe N3 O2 -","- C184 H172 Cl8 Fe4 N12 O8 -","4","1","","Cheng, Biao; Liu, Wenbo; Lu, Zhan","Iron-Catalyzed Highly Enantioselective Hydrosilylation of Unactivated Terminal Alkenes.","Journal of the American Chemical Society","2018","140","15","5014","5017","10.1021/jacs.8b01638","","","0.71073","MoKα","","0.0486","0.0377","","","0.086","0.0943","","","","","","1.029","","","","has coordinates","242152","2020-10-21","18:00:00",""
"4132110","13.6131","0.0003","18.1837","0.0004","19.2192","0.0004","101.101","0.001","110.003","0.001","92.825","0.001","4352.48","0.17","170","2","170.15","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H57 N6 O17.5 P2 -","- C37 H57 N6 O17.5 P2 -","- C148 H228 N24 O70 P8 -","4","2","","Wu, Guangcheng; Wang, Cai-Yun; Jiao, Tianyu; Zhu, Huangtianzhi; Huang, Feihe; Li, Hao","Controllable Self-Assembly of Macrocycles in Water for Isolating Aromatic Hydrocarbon Isomers.","Journal of the American Chemical Society","2018","140","18","5955","5961","10.1021/jacs.8b01651","","","1.34139","GaKα","","0.0988","0.0675","","","0.1759","0.2023","","","","","","1.028","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4132111","8.8956","0.0002","11.9078","0.0003","21.3431","0.0005","87.772","0.001","84.389","0.001","73.354","0.001","2155.55","0.09","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 F12 N8 O3 P2 -","- C40 H44 F12 N8 O3 P2 -","- C80 H88 F24 N16 O6 P4 -","2","1","","Wu, Guangcheng; Wang, Cai-Yun; Jiao, Tianyu; Zhu, Huangtianzhi; Huang, Feihe; Li, Hao","Controllable Self-Assembly of Macrocycles in Water for Isolating Aromatic Hydrocarbon Isomers.","Journal of the American Chemical Society","2018","140","18","5955","5961","10.1021/jacs.8b01651","","","1.34139","GaKα","","0.0398","0.0377","","","0.0999","0.1016","","","","","","1.022","","","","has coordinates","242154","2020-10-21","18:00:00",""
"4132112","44.7259","0.0013","26.8344","0.0009","13.927","0.0004","90","","90","","90","","16715.1","0.9","170","2","170","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H32 Cl2 N6 O2 -","- C34 H32 Cl2 N6 O2 -","- C544 H512 Cl32 N96 O32 -","16","4","","Wu, Guangcheng; Wang, Cai-Yun; Jiao, Tianyu; Zhu, Huangtianzhi; Huang, Feihe; Li, Hao","Controllable Self-Assembly of Macrocycles in Water for Isolating Aromatic Hydrocarbon Isomers.","Journal of the American Chemical Society","2018","140","18","5955","5961","10.1021/jacs.8b01651","","","1.34139","GaKα","","0.1465","0.0923","","","0.2626","0.3074","","","","","","0.989","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4132113","12.3237","0.0006","13.4102","0.0007","13.7397","0.0006","74.526","0.004","85.761","0.003","67.151","0.003","2015.52","0.18","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H34 N6 O6 S -","- C35 H34 N6 O6 S -","- C70 H68 N12 O12 S2 -","2","1","","Wu, Guangcheng; Wang, Cai-Yun; Jiao, Tianyu; Zhu, Huangtianzhi; Huang, Feihe; Li, Hao","Controllable Self-Assembly of Macrocycles in Water for Isolating Aromatic Hydrocarbon Isomers.","Journal of the American Chemical Society","2018","140","18","5955","5961","10.1021/jacs.8b01651","","","1.34139","GaKα","","0.2012","0.1579","","","0.4367","0.4692","","","","","","1.67","","","","has coordinates,has disorder","242156","2020-10-21","18:00:00",""
"4132114","19.6959","0.0005","6.9198","0.0002","21.5771","0.0006","90","","114.912","0.001","90","","2667.16","0.13","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4ca","","","- C13 H17 Cl O3 S -","- C13 H17 Cl O3 S -","- C104 H136 Cl8 O24 S8 -","8","2","","Li, Zhen; Jangra, Harish; Chen, Quan; Mayer, Peter; Ofial, Armin R.; Zipse, Hendrik; Mayr, Herbert","Kinetics and Mechanism of Oxirane Formation by Darzens Condensation of Ketones: Quantification of the Electrophilicities of Ketones.","Journal of the American Chemical Society","2018","140","16","5500","5515","10.1021/jacs.8b01657","","","0.71073","MoKα","","0.0438","0.0324","","","0.0736","0.0803","","","","","","1.066","","","","has coordinates","242157","2020-10-21","18:00:00",""
"4132115","8.3662","0.0004","11.0924","0.0005","8.7666","0.0004","90","","111.045","0.001","90","","759.29","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H20 Br N O2 -","- C15 H20 Br N O2 -","- C30 H40 Br2 N2 O4 -","2","1","","Wang, Yong; Wen, Xin; Cui, Xin; Zhang, X. Peter","Enantioselective Radical Cyclization for Construction of 5-Membered Ring Structures by Metalloradical C-H Alkylation.","Journal of the American Chemical Society","2018","140","14","4792","4796","10.1021/jacs.8b01662","","","1.54178","CuKα","","0.0201","0.02","","","0.0513","0.0514","","","","","","1.032","","","","has coordinates","242158","2020-10-21","18:00:00",""
"4132116","6.4315","0.0002","10.2343","0.0003","22.1045","0.0006","90","","90","","90","","1454.96","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Wang, Yong; Wen, Xin; Cui, Xin; Zhang, X. Peter","Enantioselective Radical Cyclization for Construction of 5-Membered Ring Structures by Metalloradical C-H Alkylation.","Journal of the American Chemical Society","2018","140","14","4792","4796","10.1021/jacs.8b01662","","","1.54178","CuKα","","0.0268","0.0258","","","0.0648","0.0655","","","","","","1.049","","","","has coordinates","242159","2020-10-21","18:00:00",""
"4132117","35.454","0.007","33.3","0.006","15.96","0.003","90","","92.846","0.002","90","","18819","6","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C192 H196 As5 Au6 Cl F30 P12 -","- C192 H196 As5 Au6 Cl F30 P12 -","- C768 H784 As20 Au24 Cl4 F120 P48 -","4","0.5","","Walters, Daniel T.; Aghakhanpour, Reza Babadi; Powers, Xian B.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Utilization of a Nonemissive Triphosphine Ligand to Construct a Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a Helical Complex.","Journal of the American Chemical Society","2018","140","24","7533","7542","10.1021/jacs.8b01666","","","0.71073","MoKα","","0.0613","0.0431","","","0.0926","0.0999","","","","","","1.086","","","","has coordinates,has disorder","242160","2020-10-21","18:00:00",""
"4132118","15.7952","0.0019","33.133","0.004","19.067","0.002","90","","111.302","0.002","90","","9296.8","1.9","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","[Au6Cl(box)](PF6)5.toluene","","","- C150 H148 Au6 Cl F30 P17 -","- C150 H148 Au6 Cl F30 P17 -","- C300 H296 Au12 Cl2 F60 P34 -","2","0.25","","Walters, Daniel T.; Aghakhanpour, Reza Babadi; Powers, Xian B.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Utilization of a Nonemissive Triphosphine Ligand to Construct a Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a Helical Complex.","Journal of the American Chemical Society","2018","140","24","7533","7542","10.1021/jacs.8b01666","","","0.7749","synchrotron","","0.0673","0.0543","","","0.1492","0.161","","","","","","1.066","","","","has coordinates","242161","2020-10-21","18:00:00",""
"4132119","35.3414","0.0019","33.4913","0.0016","16.0576","0.0008","90","","92.322","0.001","90","","18990.6","1.7","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Au6(triphos)4](SbF6)5Cl.(toluene)7","","","- C185 H188 Au6 Cl F30 P12 Sb5 -","- C185 H188 Au6 Cl F30 P12 Sb5 -","- C740 H752 Au24 Cl4 F120 P48 Sb20 -","4","0.5","","Walters, Daniel T.; Aghakhanpour, Reza Babadi; Powers, Xian B.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Utilization of a Nonemissive Triphosphine Ligand to Construct a Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a Helical Complex.","Journal of the American Chemical Society","2018","140","24","7533","7542","10.1021/jacs.8b01666","","","0.71073","MoKα","","0.0545","0.0387","","","0.0856","0.0922","","","","","","1.078","","","","has coordinates,has disorder","242162","2020-10-21","18:00:00",""
"4132120","13.9411","0.0007","16.4211","0.0008","21.984","0.002","101.193","0.002","98.197","0.002","96.808","0.002","4830.9","0.6","90","2","90","2","","","","","","","","7","P -1","-P 1","2","[Au3(triphos)2](Otf)3 4toluene, H2O","","","- C99 H100 Au3 F9 O10 P6 S3 -","- C99 H100 Au3 F9 O10 P6 S3 -","- C198 H200 Au6 F18 O20 P12 S6 -","2","1","","Walters, Daniel T.; Aghakhanpour, Reza Babadi; Powers, Xian B.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Utilization of a Nonemissive Triphosphine Ligand to Construct a Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a Helical Complex.","Journal of the American Chemical Society","2018","140","24","7533","7542","10.1021/jacs.8b01666","","","0.71073","MoKα","","0.0263","0.0228","","","0.0536","0.0549","","","","","","1.021","","","","has coordinates,has disorder","242163","2020-10-21","18:00:00",""
"4132121","25.058","0.002","13.8613","0.0013","42.523","0.004","90","","91.158","0.0013","90","","14767","2","90","2","90","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C139 H132 Au6 Cl F30 O3 P17 -","- C139 H132 Au6 Cl F30 O3 P17 -","- C556 H528 Au24 Cl4 F120 O12 P68 -","4","1","","Walters, Daniel T.; Aghakhanpour, Reza Babadi; Powers, Xian B.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Utilization of a Nonemissive Triphosphine Ligand to Construct a Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a Helical Complex.","Journal of the American Chemical Society","2018","140","24","7533","7542","10.1021/jacs.8b01666","","","0.71073","MoKα","","0.0854","0.0798","","","0.1921","0.1949","","","","","","1.098","","","","has coordinates","242164","2020-10-21","18:00:00",""
"4132122","19.4006","0.001","25.4448","0.0014","25.5338","0.0012","90","","90","","90","","12604.6","1.1","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C63 H83 F7 N O4 P Pd S -","- C63 H83 F7 N O4 P Pd S -","- C504 H664 F56 N8 O32 P8 Pd8 S8 -","8","1","","Dennis, Joseph M.; White, Nicholas A.; Liu, Richard Y.; Buchwald, Stephen L.","Breaking the Base Barrier: An Electron-Deficient Palladium Catalyst Enables the Use of a Common Soluble Base in C-N Coupling.","Journal of the American Chemical Society","2018","140","13","4721","4725","10.1021/jacs.8b01696","","","1.54178","CuKα","","0.1013","0.0542","","","0.1291","0.1626","","","","","","1.029","","","","has coordinates,has disorder","242165","2020-10-21","18:00:00",""
"4132123","11.5544","0.0018","6.1514","0.0009","25.784","0.004","90","","93.021","0.008","90","","1830.1","0.5","100","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O2 Si -","- C18 H23 N3 O2 Si -","- C72 H92 N12 O8 Si4 -","4","1","","Hernandez, Lucas W.; Klöckner, Ulrich; Pospech, Jola; Hauss, Lilian; Sarlah, David","Nickel-Catalyzed Dearomative trans-1,2-Carboamination.","Journal of the American Chemical Society","2018","140","13","4503","4507","10.1021/jacs.8b01726","","x-ray","0.71073","MoKα","","0.0616","0.0402","","","0.0883","0.0979","","","","","","1.04","","","","has coordinates","242169","2020-10-21","18:00:00",""
"4132124","5.9911","0.0004","14.3103","0.0011","18.8938","0.0013","90","","90","","90","","1619.8","0.2","100","","99.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","lwh-4-1178","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C76 H68 N12 O8 -","4","1","","Hernandez, Lucas W.; Klöckner, Ulrich; Pospech, Jola; Hauss, Lilian; Sarlah, David","Nickel-Catalyzed Dearomative trans-1,2-Carboamination.","Journal of the American Chemical Society","2018","140","13","4503","4507","10.1021/jacs.8b01726","","x-ray","1.54178","CuKα","","0.0631","0.0618","","","0.1469","0.1478","","","","","","1.052","","","","has coordinates","242170","2020-10-21","18:00:00",""
"4132125","10.7015","0.0003","22.7815","0.0005","11.3703","0.0003","90","","102.692","0.001","90","","2704.3","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H14 B10 O -","- C9 H14 B10 O -","- C72 H112 B80 O8 -","8","4","","Cheng, Ruofei; Li, Bowen; Wu, Jie; Zhang, Jie; Qiu, Zaozao; Tang, Wenjun; You, Shu-Li; Tang, Yong; Xie, Zuowei","Enantioselective Synthesis of Chiral-at-Cage o-Carboranes via Pd-Catalyzed Asymmetric B-H Substitution.","Journal of the American Chemical Society","2018","140","13","4508","4511","10.1021/jacs.8b01754","","","1.54178","CuKα","","0.1112","0.0846","","","0.2008","0.2223","","","","","","1.017","","","","has coordinates","242171","2020-10-21","18:00:00",""
"4132126","9.104","0.003","7.3271","0.0016","11.901","0.003","90","","106.709","0.01","90","","760.3","0.4","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H13 B10 I O -","- C9 H13 B10 I O -","- C18 H26 B20 I2 O2 -","2","1","","Cheng, Ruofei; Li, Bowen; Wu, Jie; Zhang, Jie; Qiu, Zaozao; Tang, Wenjun; You, Shu-Li; Tang, Yong; Xie, Zuowei","Enantioselective Synthesis of Chiral-at-Cage o-Carboranes via Pd-Catalyzed Asymmetric B-H Substitution.","Journal of the American Chemical Society","2018","140","13","4508","4511","10.1021/jacs.8b01754","","","0.71073","MoKα","","0.039","0.0335","","","0.0771","0.0818","","","","","","1.071","","","","has coordinates","242171","2020-10-21","18:00:00",""
"4132127","9.1291","0.0005","7.3414","0.0004","11.9192","0.0005","90","","106.522","0.002","90","","765.85","0.07","301","2","300.67","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H13 B10 I O -","- C9 H13 B10 I O -","- C18 H26 B20 I2 O2 -","2","1","","Cheng, Ruofei; Li, Bowen; Wu, Jie; Zhang, Jie; Qiu, Zaozao; Tang, Wenjun; You, Shu-Li; Tang, Yong; Xie, Zuowei","Enantioselective Synthesis of Chiral-at-Cage o-Carboranes via Pd-Catalyzed Asymmetric B-H Substitution.","Journal of the American Chemical Society","2018","140","13","4508","4511","10.1021/jacs.8b01754","","","1.34139","GaKα","","0.0616","0.0429","","","0.1121","0.1236","","","","","","1.033","","","","has coordinates","242171","2020-10-21","18:00:00",""
"4132128","18.838","0.004","7.8317","0.0016","23.075","0.005","90","","93","0.03","90","","3399.7","1.2","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4,6-diClres, 2-pyr-4-ppyr","4,6-dichlororesorcinol, trans-1-(2-pyridyl)-2-(4-(4-phenyl)pyridyl)ethylene)","","- C42 H32 Cl2 N4 O2 -","- C42 H32 Cl2 N4 O2 -","- C168 H128 Cl8 N16 O8 -","4","1","","Chu, Qianli; Duncan, Andrew J. E.; Papaefstathiou, Giannis S.; Hamilton, Tamara D.; Atkinson, Manza B. J.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Putting Cocrystal Stoichiometry to Work: A Reactive Hydrogen-Bonded ""Superassembly"" Enables Nanoscale Enlargement of a Metal-Organic Rhomboid via a Solid-State Photocycloaddition.","Journal of the American Chemical Society","2018","140","14","4940","4944","10.1021/jacs.8b01775","","","0.7107","MoKα","","0.103","0.0609","","","0.0934","0.1046","","","","","","1.1","","","","has coordinates","242172","2020-10-21","18:00:00",""
"4132129","11.06","0.002","11.18","0.002","21.621","0.004","85.64","0.03","80.41","0.03","65.33","0.03","2395.4","1","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","4,6-diClres, 2-pyr-4-ppyr","4,6-dichlororesorcinol, trans-1-(2-pyridyl)-2-(4-(4-phenyl)pyridyl)ethylene)","","- C54 H40 Cl6 N4 O6 -","- C54 H40 Cl6 N4 O6 -","- C108 H80 Cl12 N8 O12 -","2","1","","Chu, Qianli; Duncan, Andrew J. E.; Papaefstathiou, Giannis S.; Hamilton, Tamara D.; Atkinson, Manza B. J.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Putting Cocrystal Stoichiometry to Work: A Reactive Hydrogen-Bonded ""Superassembly"" Enables Nanoscale Enlargement of a Metal-Organic Rhomboid via a Solid-State Photocycloaddition.","Journal of the American Chemical Society","2018","140","14","4940","4944","10.1021/jacs.8b01775","","","0.7107","MoKα","","0.0817","0.0432","","","0.0777","0.0895","","","","","","1.015","","","","has coordinates","242172","2020-10-21","18:00:00",""
"4132130","14.24","0.003","16.4","0.003","17.079","0.003","74.866","0.005","84.001","0.005","78.978","0.005","3772.9","1.2","190","2","190.15","","","","","","","","","7","P -1","-P 1","2","[Cu4(2-pyr-4-ppyr-cb)2(hfacac)8].8CHCl3","[Cu4(K2,K1-2-pyr-4-ppyr-cb)]2[hfacac]8.8CHCl3","","- C60 H36 Cl12 Cu2 F24 N4 O8 -","- C60 H36 Cl12 Cu2 F24 N4 O8 -","- C120 H72 Cl24 Cu4 F48 N8 O16 -","2","1","","Chu, Qianli; Duncan, Andrew J. E.; Papaefstathiou, Giannis S.; Hamilton, Tamara D.; Atkinson, Manza B. J.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Putting Cocrystal Stoichiometry to Work: A Reactive Hydrogen-Bonded ""Superassembly"" Enables Nanoscale Enlargement of a Metal-Organic Rhomboid via a Solid-State Photocycloaddition.","Journal of the American Chemical Society","2018","140","14","4940","4944","10.1021/jacs.8b01775","","","0.7107","MoKα","","0.0849","0.0581","","","0.1403","0.153","","","","","","1.062","","","","has coordinates,has disorder","242172","2020-10-21","18:00:00",""
"4132131","10.542","0.005","15.037","0.007","17.602","0.009","80.603","0.014","77.248","0.015","79.736","0.015","2655","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H72 B11 N4 Na O2 Si2 -","- C40 H72 B11 N4 Na O2 Si2 -","- C80 H144 B22 N8 Na2 O4 Si4 -","2","1","","Wang, Hao; Zhang, Jiji; Lee, Hung Kay; Xie, Zuowei","Borylene Insertion into Cage B-H Bond: A Route to Electron-Precise B-B Single Bond.","Journal of the American Chemical Society","2018","140","11","3888","3891","10.1021/jacs.8b01795","","","0.71073","MoKα","","0.1498","0.0885","","","0.2027","0.232","","","","","","1.058","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4132132","13.0602","0.0003","33.657","0.0008","15.015","0.0004","90","","113.3","0.0012","90","","6061.8","0.3","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H84 B11 Br N4 Na O2.5 Si2 -","- C49 H84 B11 Br N4 Na O2.5 Si2 -","- C196 H336 B44 Br4 N16 Na4 O10 Si8 -","4","1","","Wang, Hao; Zhang, Jiji; Lee, Hung Kay; Xie, Zuowei","Borylene Insertion into Cage B-H Bond: A Route to Electron-Precise B-B Single Bond.","Journal of the American Chemical Society","2018","140","11","3888","3891","10.1021/jacs.8b01795","","","0.71073","MoKα","","0.1018","0.0672","","","0.1947","0.2191","","","","","","1.057","","","","has coordinates","289785","2024-02-12","08:29:27",""
"4132133","11.1142","0.0004","13.003","0.0005","13.8223","0.0005","66.511","0.004","88.482","0.003","67.769","0.004","1677.58","0.14","99.98","0.1","99.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C70 H72 Cl6 N12 O4 -","- C70 H70 Cl6 N12 O4 -","- C70 H70 Cl6 N12 O4 -","1","0.5","","Kim, Soobin; Castillo, Henry D.; Lee, Milim; Mortensen, Riley D.; Tait, Steven L.; Lee, Dongwhan","From Foldable Open Chains to Shape-Persistent Macrocycles: Synthesis, Impact on 2D Ordering, and Stimulated Self-Assembly.","Journal of the American Chemical Society","2018","140","13","4726","4735","10.1021/jacs.8b01805","","x-ray","0.71073","MoKα","","0.1064","0.0876","","","0.2446","0.2639","","","","","","1.024","","","","has coordinates","242175","2020-10-21","18:00:00",""
"4132134","5.1746","0.0008","8.6038","0.0012","35.456","0.006","90","","90.339","0.008","90","","1578.5","0.4","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 -","- C22 H22 -","- C88 H88 -","4","1","","Bai, Yu-Bin; Luo, Zaigang; Wang, Yuguang; Gao, Jin-Ming; Zhang, Liming","Au-Catalyzed Intermolecular [2+2] Cycloadditions between Chloroalkynes and Unactivated Alkenes.","Journal of the American Chemical Society","2018","140","17","5860","5865","10.1021/jacs.8b01813","","","0.71073","MoKα","","0.0797","0.0484","","","0.095","0.107","","","","","","1.038","","","","has coordinates","242176","2020-10-21","18:00:00",""
"4132135","7.8212","0.0003","15.7879","0.0006","19.7391","0.0007","109.275","0.003","100.01","0.003","91.118","0.003","2257.98","0.15","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C17.5 H32 Cl3 Co N2 P -","- C17.5 H32 Cl3 Co N2 P -","- C70 H128 Cl12 Co4 N8 P4 -","4","2","","Liu, Xufang; Zhang, Wei; Wang, Yujie; Zhang, Ze-Xin; Jiao, Lei; Liu, Qiang","Cobalt-Catalyzed Regioselective Olefin Isomerization Under Kinetic Control.","Journal of the American Chemical Society","2018","140","22","6873","6882","10.1021/jacs.8b01815","","x-ray","1.54184","CuKα","","0.0556","0.0416","","","0.0949","0.1004","","","","","","1.113","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4132136","7.6131","0.0015","18.608","0.004","14.78","0.003","90","","98.42","0.03","90","","2071.2","0.8","173.15","","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H29 Co I2 N2 P -","- C16 H29 Co I2 N2 P -","- C64 H116 Co4 I8 N8 P4 -","4","1","","Liu, Xufang; Zhang, Wei; Wang, Yujie; Zhang, Ze-Xin; Jiao, Lei; Liu, Qiang","Cobalt-Catalyzed Regioselective Olefin Isomerization Under Kinetic Control.","Journal of the American Chemical Society","2018","140","22","6873","6882","10.1021/jacs.8b01815","","","0.71073","MoKα","","0.0253","0.0243","","","0.052","0.0524","","","","","","1.206","","","","has coordinates","242178","2020-10-21","18:00:00",""
"4132137","16.6705","0.0005","8.1102","0.0002","27.7803","0.0007","90","","90","","90","","3755.93","0.17","173","0.1","173","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H27 Cl2 Co N2 P -","- C15 H27 Cl2 Co N2 P -","- C120 H216 Cl16 Co8 N16 P8 -","8","2","","Liu, Xufang; Zhang, Wei; Wang, Yujie; Zhang, Ze-Xin; Jiao, Lei; Liu, Qiang","Cobalt-Catalyzed Regioselective Olefin Isomerization Under Kinetic Control.","Journal of the American Chemical Society","2018","140","22","6873","6882","10.1021/jacs.8b01815","","x-ray","1.54184","CuKα","","0.0793","0.0754","","","0.1912","0.1954","","","","","","1.065","","","","has coordinates","242179","2020-10-21","18:00:00",""
"4132138","13.9796","0.0007","14.563","0.0007","17.6977","0.0007","90","","91.037","0.004","90","","3602.4","0.3","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H50 Cl4 Co2 N4 P2 -","- C28 H50 Cl4 Co2 N4 P2 -","- C112 H200 Cl16 Co8 N16 P8 -","4","1","","Liu, Xufang; Zhang, Wei; Wang, Yujie; Zhang, Ze-Xin; Jiao, Lei; Liu, Qiang","Cobalt-Catalyzed Regioselective Olefin Isomerization Under Kinetic Control.","Journal of the American Chemical Society","2018","140","22","6873","6882","10.1021/jacs.8b01815","","x-ray","1.54184","CuKα","","0.0846","0.0649","","","0.1988","0.2123","","","","","","1.106","","","","has coordinates,has disorder","242180","2020-10-21","18:00:00",""
"4132139","12.5224","0.0006","12.8854","0.0006","21.9843","0.0011","93.576","0.002","103.138","0.002","118.4","0.0018","2977.9","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C60.51 H40.06 Cl1.01 F9 Fe3 N6 O12 S3 -","- C60.5053 H40.06 Cl1.0106 F9 Fe3 N6 O12 S3 -","- C121.011 H80.12 Cl2.0212 F18 Fe6 N12 O24 S6 -","2","1","","Arnett, Charles H.; Chalkley, Matthew J.; Agapie, Theodor","A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters.","Journal of the American Chemical Society","2018","140","16","5569","5578","10.1021/jacs.8b01825","","","0.71073","MoKα","","0.0693","0.0428","","","0.0999","0.1113","","","","","","1.02","","","","has coordinates,has disorder","242181","2020-10-21","18:00:00",""
"4132140","23.4333","0.0011","23.4333","0.0011","9.796","0.0005","90","","90","","120","","4658.5","0.4","100","","100","","","","","","","","","8","P -3","-P 3","147","","","","- C87.5 H64 Cl F9 Fe3 N12 O13 S3 -","- C87.5001 H64.0002 Cl1.0002 F9 Fe3 N12 O13 S3 -","- C175 H128 Cl2.0004 F18 Fe6 N24 O26 S6 -","2","0.333333","","Arnett, Charles H.; Chalkley, Matthew J.; Agapie, Theodor","A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters.","Journal of the American Chemical Society","2018","140","16","5569","5578","10.1021/jacs.8b01825","","","0.71073","MoKα","","0.0886","0.0626","","","0.1678","0.1836","","","","","","1.033","","","","has coordinates,has disorder","242181","2020-10-21","18:00:00",""
"4132141","15.486","0.002","15.4964","0.0018","19.448","0.002","100.128","0.002","93.878","0.004","93.078","0.003","4573.6","0.9","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C90.6 H68.17 Cl4.26 F6 Fe4 N12 O10.62 S2 -","- C90.601 H68.17 Cl4.266 F6 Fe4 N12 O10.617 S2 -","- C181.202 H136.34 Cl8.532 F12 Fe8 N24 O21.234 S4 -","2","1","","Arnett, Charles H.; Chalkley, Matthew J.; Agapie, Theodor","A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters.","Journal of the American Chemical Society","2018","140","16","5569","5578","10.1021/jacs.8b01825","","","0.71073","MoKα","","0.1245","0.0807","","","0.2239","0.2577","","","","","","1.049","","","","has coordinates,has disorder","242181","2020-10-21","18:00:00",""
"4132142","14.4988","0.0005","45.032","0.002","14.6559","0.0007","90","","106.58","0.002","90","","9171.1","0.7","100","","99.97","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C91.07 H66.15 Cl6.15 F6 Fe4 N12 O12 S2 -","- C91.075 H66.15 Cl6.15 F6 Fe4 N12 O12 S2 -","- C364.3 H264.6 Cl24.6 F24 Fe16 N48 O48 S8 -","4","1","","Arnett, Charles H.; Chalkley, Matthew J.; Agapie, Theodor","A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters.","Journal of the American Chemical Society","2018","140","16","5569","5578","10.1021/jacs.8b01825","","","1.54178","CuKα","","0.1225","0.1018","","","0.2745","0.2913","","","","","","1.05","","","","has coordinates","242181","2020-10-21","18:00:00",""
"4132143","40.403","0.004","17.5931","0.0017","25.468","0.003","90","","115.389","0.006","90","","16355","3","100","","100.03","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C90.34 H60 F3 Fe4 N14.67 O7 S -","- C90.336 H60 F3 Fe4 N14.668 O7 S -","- C722.688 H480 F24 Fe32 N117.344 O56 S8 -","8","1","","Arnett, Charles H.; Chalkley, Matthew J.; Agapie, Theodor","A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters.","Journal of the American Chemical Society","2018","140","16","5569","5578","10.1021/jacs.8b01825","","","1.54178","CuKα","","0.1124","0.0847","","","0.2283","0.2541","","","","","","1.032","","","","has coordinates,has disorder","242181","2020-10-21","18:00:00",""
"4132144","12.349","0.004","15.527","0.007","21.471","0.008","78.351","0.013","79.352","0.012","88.53","0.013","3962","3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C92 H65 F3 Fe4 N15 O8 S -","- C92 H65 F3 Fe4 N15 O8 S -","- C184 H130 F6 Fe8 N30 O16 S2 -","2","1","","Arnett, Charles H.; Chalkley, Matthew J.; Agapie, Theodor","A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters.","Journal of the American Chemical Society","2018","140","16","5569","5578","10.1021/jacs.8b01825","","","0.71073","MoKα","","0.1309","0.0877","","","0.2192","0.2596","","","","","","1.035","","","","has coordinates,has disorder","242181","2020-10-21","18:00:00",""
"4132145","7.5143","0.0003","12.9125","0.0004","13.961","0.0005","90","","90","","90","","1354.61","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 N4 O7 -","- C13 H10 N4 O7 -","- C52 H40 N16 O28 -","4","1","","Gu, Ruirui; Flidrova, Karolina; Lehn, Jean-Marie","Dynamic Covalent Metathesis in the C═C/C═N Exchange between Knoevenagel Compounds and Imines.","Journal of the American Chemical Society","2018","140","16","5560","5568","10.1021/jacs.8b01849","","","0.71073","MoKα","","0.0362","0.0336","","","0.0926","0.0961","","","","","","1.059","","","","has coordinates","242185","2020-10-21","18:00:00",""
"4132146","9.2706","0.0003","17.6938","0.0007","9.5355","0.0003","90","","115.51","0.002","90","","1411.64","0.09","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 N3 -","- C15 H27 N3 -","- C60 H108 N12 -","4","1","","Gu, Ruirui; Flidrova, Karolina; Lehn, Jean-Marie","Dynamic Covalent Metathesis in the C═C/C═N Exchange between Knoevenagel Compounds and Imines.","Journal of the American Chemical Society","2018","140","16","5560","5568","10.1021/jacs.8b01849","","","0.71073","MoKα","","0.0845","0.0592","","","0.1352","0.1458","","","","","","1.089","","","","has coordinates","242187","2020-10-21","18:00:00",""
"4132147","7.241","0.004","16.788","0.009","30.202","0.015","90","","90","","90","","3671","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H12 Cl4 Cu F15 N4 -","- C39 H12 Cl4 Cu F15 N4 -","- C156 H48 Cl16 Cu4 F60 N16 -","4","1","","Maurya, Yogesh Kumar; Noda, Katsuya; Yamasumi, Kazuhisa; Mori, Shigeki; Uchiyama, Tomoki; Kamitani, Kazutaka; Hirai, Tomoyasu; Ninomiya, Kakeru; Nishibori, Maiko; Hori, Yuta; Shiota, Yoshihito; Yoshizawa, Kazunari; Ishida, Masatoshi; Furuta, Hiroyuki","Ground-State Copper(III) Stabilized by N-Confused/N-Linked Corroles: Synthesis, Characterization, and Redox Reactivity.","Journal of the American Chemical Society","2018","140","22","6883","6892","10.1021/jacs.8b01876","","","0.71075","MoKα","","0.0998","0.0828","","","0.2006","0.2174","","","","","","1.077","","","","has coordinates,has disorder","242189","2020-10-21","18:00:00",""
"4132148","30.8426","0.0013","15.9684","0.0006","7.0861","0.0004","90","","90","","90","","3490","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H14 Cu F15 N6 -","- C41 H14 Cu F15 N6 -","- C164 H56 Cu4 F60 N24 -","4","1","","Maurya, Yogesh Kumar; Noda, Katsuya; Yamasumi, Kazuhisa; Mori, Shigeki; Uchiyama, Tomoki; Kamitani, Kazutaka; Hirai, Tomoyasu; Ninomiya, Kakeru; Nishibori, Maiko; Hori, Yuta; Shiota, Yoshihito; Yoshizawa, Kazunari; Ishida, Masatoshi; Furuta, Hiroyuki","Ground-State Copper(III) Stabilized by N-Confused/N-Linked Corroles: Synthesis, Characterization, and Redox Reactivity.","Journal of the American Chemical Society","2018","140","22","6883","6892","10.1021/jacs.8b01876","","","0.71075","MoKα","","0.1046","0.0734","","","0.1605","0.1759","","","","","","1.071","","","","has coordinates","242191","2020-10-21","18:00:00",""
"4132149","15.3803","0.0004","16.8229","0.0005","16.9418","0.0005","66.502","0.003","77.999","0.003","76.171","0.003","3872.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H36 Cu2 F30 N8 O2 -","- C82 H36 Cu2 F30 N8 O2 -","- C164 H72 Cu4 F60 N16 O4 -","2","1","","Maurya, Yogesh Kumar; Noda, Katsuya; Yamasumi, Kazuhisa; Mori, Shigeki; Uchiyama, Tomoki; Kamitani, Kazutaka; Hirai, Tomoyasu; Ninomiya, Kakeru; Nishibori, Maiko; Hori, Yuta; Shiota, Yoshihito; Yoshizawa, Kazunari; Ishida, Masatoshi; Furuta, Hiroyuki","Ground-State Copper(III) Stabilized by N-Confused/N-Linked Corroles: Synthesis, Characterization, and Redox Reactivity.","Journal of the American Chemical Society","2018","140","22","6883","6892","10.1021/jacs.8b01876","","","0.71075","MoKα","","0.1212","0.0863","","","0.2182","0.2427","","","","","","1.013","","","","has coordinates,has disorder","242192","2020-10-21","18:00:00",""
"4132150","16.0453","0.0011","11.7131","0.0008","19.0503","0.0013","90","","93.4712","0.0017","90","","3573.7","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C76 H92 Sn2 -","- C76 H92 Sn2 -","- C152 H184 Sn4 -","2","0.5","","Lai, Ting Yi; Fettinger, James C.; Power, Philip P.","Facile C-H Bond Metathesis Mediated by a Stannylene.","Journal of the American Chemical Society","2018","140","17","5674","5677","10.1021/jacs.8b01878","","","0.71073","MoKα","","0.0491","0.0416","","","0.1021","0.1053","","","","","","1.105","","","","has coordinates,has disorder","242193","2020-10-21","18:00:00",""
"4132151","11.7763","0.0007","12.8319","0.0007","13.7749","0.0008","110.615","0.0008","101.716","0.0008","96.648","0.0008","1867.42","0.19","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C88 H104 Sn2 -","- C88 H104 Sn2 -","- C88 H104 Sn2 -","1","0.5","","Lai, Ting Yi; Fettinger, James C.; Power, Philip P.","Facile C-H Bond Metathesis Mediated by a Stannylene.","Journal of the American Chemical Society","2018","140","17","5674","5677","10.1021/jacs.8b01878","","","0.71073","MoKα","","0.0261","0.0235","","","0.0597","0.0608","","","","","","1.054","","","","has coordinates,has disorder","242194","2020-10-21","18:00:00",""
"4132152","6.4708","0.0001","20.0417","0.0004","7.2325","0.0002","90","","107.489","0.001","90","","894.6","0.03","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C42 H56 O6 -","2","1","","Zhang, Hai-Jun; Schuppe, Alexander W.; Pan, Shi-Tao; Chen, Jin-Xiang; Wang, Bo-Ran; Newhouse, Timothy R.; Yin, Liang","Copper-Catalyzed Vinylogous Aerobic Oxidation of Unsaturated Compounds with Air.","Journal of the American Chemical Society","2018","140","15","5300","5310","10.1021/jacs.8b01886","","","1.54178","CuKα","","0.039","0.0386","","","0.1089","0.1093","","","","","","1.066","","","","has coordinates","242195","2020-10-21","18:00:00",""
"4132153","7.235","0.0002","11.4719","0.0004","14.8725","0.0005","90","","95.298","0.002","90","","1229.13","0.07","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.054","0.0438","","","0.1055","0.114","","","","","","1.045","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132154","7.6302","0.0006","8.8519","0.0006","12.7508","0.0009","87.503","0.006","87.653","0.006","87.251","0.006","858.75","0.11","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C38 H42 N2 O10 -","2","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0503","0.0397","","","0.0951","0.1023","","","","","","1.05","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132155","7.6671","0.0006","8.3382","0.0006","23.4368","0.0018","90","","90","","90","","1498.3","0.2","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0383","0.0326","","","0.0789","0.0825","","","","","","1.05","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132156","8.9536","0.0005","13.8303","0.0007","13.3248","0.0006","90","","94.6825","0.0016","90","","1644.52","0.14","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C76 H88 O24 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.049","0.0378","","","0.0915","0.0984","","","","","","1.029","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132157","11.5962","0.0005","14.1871","0.0007","21.2925","0.0009","90","","90","","90","","3503","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C160 H200 N8 O40 -","8","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0562","0.0425","","","0.0997","0.1077","","","","","","1.062","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132158","7.6612","0.0004","20.3093","0.0009","10.7852","0.0005","90","","90.6667","0.0015","90","","1677.99","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0625","0.0419","","","0.0934","0.1013","","","","","","1.053","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132159","16.1951","0.0007","8.3508","0.0004","13.1442","0.0006","90","","102.437","0.001","90","","1735.93","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0491","0.0353","","","0.0849","0.0909","","","","","","1.034","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132160","25.0443","0.0007","6.8179","0.0002","10.1504","0.0003","90","","96.3846","0.0009","90","","1722.43","0.09","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","NV472cr","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0353","0.0325","","","0.0772","0.0785","","","","","","1.057","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132161","4.2298","0.0002","19.7579","0.0011","12.2515","0.0006","90","","97.8156","0.0018","90","","1014.37","0.09","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","494a","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0389","0.0332","","","0.0775","0.0802","","","","","","1.044","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132162","7.6599","0.0002","8.342","0.0002","23.4353","0.0007","90","","90","","90","","1497.49","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","nv236-E1","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0459","0.0425","","","0.1106","0.1126","","","","","","1.131","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132163","7.661","0.0002","8.3423","0.0002","23.444","0.0005","90","","90","","90","","1498.31","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","nv237-e2","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0415","0.0388","","","0.1058","0.1071","","","","","","1.095","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132164","7.9677","0.0002","9.2454","0.0002","11.7448","0.0003","83.4692","0.0008","88.5722","0.0009","80.9664","0.0009","848.88","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","nv632cr","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C40 H46 N2 O10 -","2","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0567","0.0485","","","0.1284","0.1355","","","","","","1.07","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132165","13.4422","0.0004","11.6532","0.0004","15.2777","0.0005","90","","99.794","0.001","90","","2358.29","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nv629cr","","","- C27 H30 N2 O6 -","- C27 H30 N2 O6 -","- C108 H120 N8 O24 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0696","0.0575","","","0.1539","0.1627","","","","","","1.072","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132166","8.2294","0.001","18.282","0.002","22.361","0.003","90","","90","","90","","3364.2","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","nv723","","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C160 H176 N16 O40 -","8","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0575","0.047","","","0.1224","0.1303","","","","","","1.05","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132167","8.3263","0.0005","11.362","0.0007","12.3017","0.0006","69.648","0.002","83.394","0.002","70.16","0.002","1026.36","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Cl2 N O5 -","- C21 H27 Cl2 N O5 -","- C42 H54 Cl4 N2 O10 -","2","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0474","0.0403","","","0.1007","0.1053","","","","","","1.035","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132168","10.0419","0.0007","18.4401","0.001","12.5503","0.0007","90","","93.409","0.002","90","","2319.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NV1216AA","","","- C24 H32 N2 O8 -","- C24 H32 N2 O8 -","- C96 H128 N8 O32 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0475","0.0402","","","0.0983","0.1021","","","","","","1.052","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132169","9.706","0.002","25.862","0.007","11.622","0.003","90","","114.351","0.003","90","","2657.8","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 N3 O3 S -","- C28 H37 N3 O3 S -","- C112 H148 N12 O12 S4 -","4","1","","Han, Ting; Deng, Haiqin; Qiu, Zijie; Zhao, Zheng; Zhang, Haoke; Zou, Hang; Leung, Nelson L. C.; Shan, Guogang; Elsegood, Mark R. J.; Lam, Jacky W. Y.; Tang, Ben Zhong","Facile Multicomponent Polymerizations toward Unconventional Luminescent Polymers with Readily Openable Small Heterocycles.","Journal of the American Chemical Society","2018","140","16","5588","5598","10.1021/jacs.8b01991","","","0.71073","MoKα","","0.1089","0.0554","","","0.1097","0.1319","","","","","","1.014","","","","has coordinates,has disorder","242197","2020-10-21","18:00:00",""
"4132170","13.6351","0.0003","23.0852","0.0007","25.6213","0.0005","90","","90.584","0.002","90","","8064.4","0.3","100.01","0.1","100.01","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C56 H103 Cl4 Co6 F6 N O2 P7 Se8 -","- C56.004 H103.008 Cl4.008 Co6 F6 N O2 P7 Se8 -","- C224.016 H412.032 Cl16.032 Co24 F24 N4 O8 P28 Se32 -","4","1","","Voevodin, Anastasia; Campos, Luis M.; Roy, Xavier","Multifunctional Vesicles from a Self-assembled Cluster-Containing Diblock Copolymer.","Journal of the American Chemical Society","2018","140","16","5607","5611","10.1021/jacs.8b02041","","x-ray","1.54184","CuKα","","0.0782","0.0566","","","0.1388","0.1525","","","","","","1.023","","","","has coordinates,has disorder","242198","2020-10-21","18:00:00",""
"4132171","8.9529","0.0011","24.098","0.003","20.991","0.002","90","","93.228","0.004","90","","4521.6","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 N2 O3 S -","- C25 H26 N2 O3 S -","- C200 H208 N16 O24 S8 -","8","2","","Liu, Mingyu; Yang, Pusu; Karunananda, Malkanthi K.; Wang, Yanyan; Liu, Peng; Engle, Keary M.","C(alkenyl)-H Activation via Six-Membered Palladacycles: Catalytic 1,3-Diene Synthesis.","Journal of the American Chemical Society","2018","140","17","5805","5813","10.1021/jacs.8b02124","","x-ray","0.71073","MoKα","","0.0998","0.0496","","","0.0996","0.1195","","","","","","1.008","","","","has coordinates,has disorder","242199","2020-10-21","18:00:00",""
"4132172","10.0696","0.0006","10.1472","0.0007","11.9906","0.0007","110.579","0.002","96.643","0.002","90.227","0.002","1137.98","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 Cl N2 O3 Pd -","- C27 H24 Cl N2 O3 Pd -","- C54 H48 Cl2 N4 O6 Pd2 -","2","1","","Liu, Mingyu; Yang, Pusu; Karunananda, Malkanthi K.; Wang, Yanyan; Liu, Peng; Engle, Keary M.","C(alkenyl)-H Activation via Six-Membered Palladacycles: Catalytic 1,3-Diene Synthesis.","Journal of the American Chemical Society","2018","140","17","5805","5813","10.1021/jacs.8b02124","","x-ray","0.71073","MoKα","","0.0409","0.031","","","0.0605","0.0645","","","","","","1.03","","","","has coordinates,has disorder","242200","2020-10-21","18:00:00",""
"4132173","15.5251","0.0004","13.7858","0.0004","17.6487","0.0005","90","","112.346","0.001","90","","3493.62","0.17","100","","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 Cl N2 O Pd -","- C21 H18 Cl N2 O Pd -","- C168 H144 Cl8 N16 O8 Pd8 -","8","1","","Liu, Mingyu; Yang, Pusu; Karunananda, Malkanthi K.; Wang, Yanyan; Liu, Peng; Engle, Keary M.","C(alkenyl)-H Activation via Six-Membered Palladacycles: Catalytic 1,3-Diene Synthesis.","Journal of the American Chemical Society","2018","140","17","5805","5813","10.1021/jacs.8b02124","","x-ray","1.54178","CuKα","","0.0462","0.0411","","","0.1022","0.1067","","","","","","1.047","","","","has coordinates","242201","2020-10-21","18:00:00",""
"4132174","13.48259","0.00006","14.45393","0.00006","16.01156","0.00009","90","","104.013","0.0005","90","","3027.42","0.03","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 F7 N2 O3 -","- C33 H33 F7 N2 O3 -","- C132 H132 F28 N8 O12 -","4","1","","Cabrera, Pablo J.; Lee, Melissa; Sanford, Melanie S.","Second-Generation Palladium Catalyst System for Transannular C-H Functionalization of Azabicycloalkanes.","Journal of the American Chemical Society","2018","140","16","5599","5606","10.1021/jacs.8b02142","","","1.54184","CuKα","","0.0517","0.0511","","","0.127","0.1275","","","","","","1.048","","","","has coordinates,has disorder","242202","2020-10-21","18:00:00",""
"4132175","8.7749","0.0002","11.2077","0.0002","15.1378","0.0003","101.086","0.0017","91.8988","0.0018","98.755","0.0017","1440.95","0.05","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H33 F7 N2 O4 -","- C31 H33 F7 N2 O4 -","- C62 H66 F14 N4 O8 -","2","1","","Cabrera, Pablo J.; Lee, Melissa; Sanford, Melanie S.","Second-Generation Palladium Catalyst System for Transannular C-H Functionalization of Azabicycloalkanes.","Journal of the American Chemical Society","2018","140","16","5599","5606","10.1021/jacs.8b02142","","","1.54184","CuKα","","0.0378","0.0362","","","0.0956","0.097","","","","","","1.017","","","","has coordinates","242203","2020-10-21","18:00:00",""
"4132176","7.4092","0.0007","10.2119","0.0009","22.525","0.002","90","","90","","90","","1704.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 F N2 O4 S -","- C18 H19 F N2 O4 S -","- C72 H76 F4 N8 O16 S4 -","4","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","0.71073","MoKα","","0.0323","0.0309","","","0.0759","0.0767","","","","","","1.099","","","","has coordinates","242204","2020-10-21","18:00:00",""
"4132177","5.2733","0.0003","10.7709","0.0006","37.817","0.002","90","","90","","90","","2147.9","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 F O6 S -","- C24 H21 F O6 S -","- C96 H84 F4 O24 S4 -","4","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","0.71073","MoKα","","0.0749","0.0516","","","0.0858","0.0931","","","","","","1.082","","","","has coordinates,has disorder","242205","2020-10-21","18:00:00",""
"4132178","17.8047","0.0004","17.8047","0.0004","6.9972","0.0002","90","","90","","120","","1920.99","0.08","100","2","100","2","","","","","","","","6","P 62","P 62","171","","","","- C11 H12.5 F N O4.25 S -","- C11 H12.5 F N O4.25 S -","- C66 H75 F6 N6 O25.5 S6 -","6","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","1.54178","CuKα","","0.0341","0.0333","","","0.0898","0.0904","","","","","","1.072","","","","has coordinates,has disorder","242206","2020-10-21","18:00:00",""
"4132179","5.527","0.0004","8.6617","0.0006","36.032","0.003","90","","90","","90","","1725","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F N O4 S2 -","- C17 H18 F N O4 S2 -","- C68 H72 F4 N4 O16 S8 -","4","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","0.71073","MoKα","","0.0903","0.0682","","","0.1219","0.1288","","","","","","1.171","","","","has coordinates","242207","2020-10-21","18:00:00",""
"4132180","7.5617","0.0003","9.7752","0.0005","23.9131","0.001","90","","90","","90","","1767.59","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F2 N2 O4 S -","- C17 H18 F2 N2 O4 S -","- C68 H72 F8 N8 O16 S4 -","4","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","0.71073","MoKα","","0.0369","0.0316","","","0.0731","0.0754","","","","","","1.057","","","","has coordinates","242208","2020-10-21","18:00:00",""
"4132181","13.7281","0.0005","7.7633","0.0003","15.1716","0.0005","90","","96.176","0.002","90","","1607.53","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H16 F2 N2 O4 S -","- C16 H16 F2 N2 O4 S -","- C64 H64 F8 N8 O16 S4 -","4","2","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","1.54178","CuKα","","0.0709","0.0635","","","0.1696","0.1736","","","","","","1.136","","","","has coordinates","242209","2020-10-21","18:00:00",""
"4132182","7.8163","0.0005","9.2956","0.0006","12.4965","0.0008","90","","98.9206","0.001","90","","896.98","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H18 F2 N2 O4 S -","- C17 H18 F2 N2 O4 S -","- C34 H36 F4 N4 O8 S2 -","2","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","0.71073","MoKα","","0.0318","0.0301","","","0.0767","0.0778","","","","","","1.043","","","","has coordinates","242210","2020-10-21","18:00:00",""
"4132183","13.9615","0.0006","14.7481","0.0006","16.6133","0.0007","90","","103.869","0.0015","90","","3321","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 S3 -","- C39 H36 S3 -","- C156 H144 S12 -","4","1","","Moneypenny, 2nd, Timothy P; Yang, Anna; Walter, Nathan P.; Woods, Toby J.; Gray, Danielle L.; Zhang, Yang; Moore, Jeffrey S.","Product Distribution from Precursor Bite Angle Variation in Multitopic Alkyne Metathesis: Evidence for a Putative Kinetic Bottleneck.","Journal of the American Chemical Society","2018","140","17","5825","5833","10.1021/jacs.8b02184","","","0.71073","MoKα","","0.04","0.0346","","","0.0849","0.0891","","","","","","1.049","","","","has coordinates","242211","2020-10-21","18:00:00",""
"4132184","16.549","0.003","9.9129","0.0017","22.008","0.005","90","","104.799","0.007","90","","3490.6","1.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H46 O -","- C44 H46 O -","- C176 H184 O4 -","4","1","","Moneypenny, 2nd, Timothy P; Yang, Anna; Walter, Nathan P.; Woods, Toby J.; Gray, Danielle L.; Zhang, Yang; Moore, Jeffrey S.","Product Distribution from Precursor Bite Angle Variation in Multitopic Alkyne Metathesis: Evidence for a Putative Kinetic Bottleneck.","Journal of the American Chemical Society","2018","140","17","5825","5833","10.1021/jacs.8b02184","","","0.71073","MoKα","","0.0698","0.0527","","","0.1188","0.1275","","","","","","1.081","","","","has coordinates,has disorder","242211","2020-10-21","18:00:00",""
"4132185","15.2838","0.001","15.2838","0.001","27.213","0.0019","90","","90","","120","","5505.2","0.6","100","2","100","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","","","- C66 H66 O3 -","- C66 H66 O3 -","- C264 H264 O12 -","4","0.333333","","Moneypenny, 2nd, Timothy P; Yang, Anna; Walter, Nathan P.; Woods, Toby J.; Gray, Danielle L.; Zhang, Yang; Moore, Jeffrey S.","Product Distribution from Precursor Bite Angle Variation in Multitopic Alkyne Metathesis: Evidence for a Putative Kinetic Bottleneck.","Journal of the American Chemical Society","2018","140","17","5825","5833","10.1021/jacs.8b02184","","","0.71073","MoKα","","0.1215","0.1176","","","0.2209","0.2227","","","","","","1.299","","","","has coordinates,has disorder","242211","2020-10-21","18:00:00",""
"4132186","15.7186","0.0003","15.7186","0.0003","29.22","0.0006","90","","90","","90","","7219.5","0.2","230","2","230","","","","","","","","","5","I 4/m","-I 4","87","","","","- C72 Cu3 N12 O36 Zr6 -","- C72 Cu3 N12 O36 Zr6 -","- C144 Cu6 N24 O72 Zr12 -","2","0.125","","Muldoon, Patrick F.; Liu, Chong; Miller, Carson C.; Koby, S. Benjamin; Gamble Jarvi, Austin; Luo, Tian-Yi; Saxena, Sunil; O'Keeffe, Michael; Rosi, Nathaniel L.","Programmable Topology in New Families of Heterobimetallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","20","6194","6198","10.1021/jacs.8b02192","","","1.54178","CuKα","","0.0716","0.0688","","","0.2593","0.2618","","","","","","1.171","","","","has coordinates","242212","2020-10-21","18:00:00",""
"4132187","30.259","0.0005","30.259","0.0005","30.259","0.0005","90","","90","","90","","27705.4","0.8","230","2","230.01","","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C7 H8 Cl0.81 Cu0.5 Hf0.5 N O2.67 -","- C7 H7 Cl0.81 Cu0.5 Hf0.5 N O2.66667 -","- C336 H336 Cl38.88 Cu24 Hf24 N48 O128 -","48","0.25","","Muldoon, Patrick F.; Liu, Chong; Miller, Carson C.; Koby, S. Benjamin; Gamble Jarvi, Austin; Luo, Tian-Yi; Saxena, Sunil; O'Keeffe, Michael; Rosi, Nathaniel L.","Programmable Topology in New Families of Heterobimetallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","20","6194","6198","10.1021/jacs.8b02192","","","1.54178","CuKα","","0.0735","0.0689","","","0.2272","0.2333","","","","","","1.12","","","","has coordinates,has disorder","242213","2020-10-21","18:00:00",""
"4132188","16.0403","0.0007","16.0403","0.0007","16.0403","0.0007","90","","90","","90","","4127","0.3","230","2","230","","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C5 Cd0.12 Cl0.25 Dy0.25 F0.5 N0.5 O1.33 -","- C5 Cd0.125 Cl0.25 Dy0.25 F0.5 N0.5 O1.33333 -","- C120 Cd3 Cl6 Dy6 F12 N12 O32 -","24","0.5","","Muldoon, Patrick F.; Liu, Chong; Miller, Carson C.; Koby, S. Benjamin; Gamble Jarvi, Austin; Luo, Tian-Yi; Saxena, Sunil; O'Keeffe, Michael; Rosi, Nathaniel L.","Programmable Topology in New Families of Heterobimetallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","20","6194","6198","10.1021/jacs.8b02192","","","1.54178","CuKα","","0.0631","0.0615","","","0.2203","0.2268","","","","","","1.258","","","","has coordinates","242214","2020-10-21","18:00:00",""
"4132189","7.1329","0.0002","17.6817","0.0004","35.8965","0.0008","90","","90","","90","","4527.33","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H40 N2 O11 -","- C36 H40 N2 O11 -","- C144 H160 N8 O44 -","4","1","","Mandler, Michael D.; Baidin, Vadim; Lee, James; Pahil, Karanbir S.; Owens, Tristan W.; Kahne, Daniel","Novobiocin Enhances Polymyxin Activity by Stimulating Lipopolysaccharide Transport.","Journal of the American Chemical Society","2018","140","22","6749","6753","10.1021/jacs.8b02283","","","1.54178","CuKα","","0.0801","0.0757","","","0.2141","0.219","","","","","","1.084","","","","has coordinates","242215","2020-10-21","18:00:00",""
"4132190","12.685","0.004","14.502","0.004","22.983","0.007","90","","99.043","0.012","90","","4175","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ppip3","","","- C43 H62 Cl2 N5 P Ru -","- C43 H62 Cl2 N5 P Ru -","- C172 H248 Cl8 N20 P4 Ru4 -","4","1","","Chu, Crystal K.; Lin, Tzu-Pin; Shao, Huiling; Liberman-Martin, Allegra L; Liu, Peng; Grubbs, Robert H.","Disentangling Ligand Effects on Metathesis Catalyst Activity: Experimental and Computational Studies of Ruthenium-Aminophosphine Complexes.","Journal of the American Chemical Society","2018","140","16","5634","5643","10.1021/jacs.8b02324","","","0.71073","MoKα","","0.14","0.082","","","0.1464","0.1609","","","","","","1.165","","","","has coordinates,has disorder","242216","2020-10-21","18:00:00",""
"4132191","12.582","0.004","14.694","0.004","26.929","0.009","90","","102.711","0.009","90","","4857","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","CyPpip2","","","- C50 H76 Cl2 N4 O1.5 P Ru -","- C50 H76 Cl2 N4 O1.5 P Ru -","- C200 H304 Cl8 N16 O6 P4 Ru4 -","4","1","","Chu, Crystal K.; Lin, Tzu-Pin; Shao, Huiling; Liberman-Martin, Allegra L; Liu, Peng; Grubbs, Robert H.","Disentangling Ligand Effects on Metathesis Catalyst Activity: Experimental and Computational Studies of Ruthenium-Aminophosphine Complexes.","Journal of the American Chemical Society","2018","140","16","5634","5643","10.1021/jacs.8b02324","","","0.71073","MoKα","","0.1013","0.0645","","","0.1465","0.1643","","","","","","1.038","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4132192","12.5478","0.0005","14.1495","0.0006","26.7547","0.0011","90","","92.828","0.002","90","","4744.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Cy2Ppip","","","- C50 H72 Cl2 N3 O0.5 P Ru -","- C50 H72 Cl2 N3 O0.5 P Ru -","- C200 H288 Cl8 N12 O2 P4 Ru4 -","4","1","","Chu, Crystal K.; Lin, Tzu-Pin; Shao, Huiling; Liberman-Martin, Allegra L; Liu, Peng; Grubbs, Robert H.","Disentangling Ligand Effects on Metathesis Catalyst Activity: Experimental and Computational Studies of Ruthenium-Aminophosphine Complexes.","Journal of the American Chemical Society","2018","140","16","5634","5643","10.1021/jacs.8b02324","","","0.71073","MoKα","","0.0959","0.0561","","","0.1214","0.1363","","","","","","1.072","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4132193","12.1351","0.0009","14.8021","0.001","22.944","0.002","90","","98.642","0.003","90","","4074.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cy2Ppyrr","","","- C44 H58 Cl2 N3 P Ru -","- C44 H58 Cl2 N3 P Ru -","- C176 H232 Cl8 N12 P4 Ru4 -","4","1","","Chu, Crystal K.; Lin, Tzu-Pin; Shao, Huiling; Liberman-Martin, Allegra L; Liu, Peng; Grubbs, Robert H.","Disentangling Ligand Effects on Metathesis Catalyst Activity: Experimental and Computational Studies of Ruthenium-Aminophosphine Complexes.","Journal of the American Chemical Society","2018","140","16","5634","5643","10.1021/jacs.8b02324","","","0.71073","MoKα","","0.1239","0.0641","","","0.1225","0.1426","","","","","","1.075","","","","has coordinates","242219","2020-10-21","18:00:00",""
"4132194","15.9701","0.0005","19.026","0.0007","25.333","0.0007","75.796","0.003","78.814","0.002","72.466","0.003","7055.1","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C174 H100 Cl0 N2 O0 -","- C174 H100 N2 -","- C348 H200 N4 -","2","1","","Takeda, Motoki; Hiroto, Satoru; Yokoi, Hiroki; Lee, Sangsu; Kim, Dongho; Shinokubo, Hiroshi","Azabuckybowl-Based Molecular Tweezers as C<sub>60</sub> and C<sub>70</sub> Receptors.","Journal of the American Chemical Society","2018","140","20","6336","6342","10.1021/jacs.8b02327","","","0.71073","MoKα","","0.1714","0.1039","","","0.2482","0.2709","","","","","","1.064","","","","has coordinates,has disorder","242220","2020-10-21","18:00:00",""
"4132195","13.0834","0.0003","38.2825","0.0007","26.7591","0.0006","90","","102.678","0.002","90","","13075.9","0.5","93","2","93","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C205 H124 N2 -","- C205 H124 N2 -","- C820 H496 N8 -","4","1","","Takeda, Motoki; Hiroto, Satoru; Yokoi, Hiroki; Lee, Sangsu; Kim, Dongho; Shinokubo, Hiroshi","Azabuckybowl-Based Molecular Tweezers as C<sub>60</sub> and C<sub>70</sub> Receptors.","Journal of the American Chemical Society","2018","140","20","6336","6342","10.1021/jacs.8b02327","","","0.71073","MoKα","","0.161","0.1082","","","0.2875","0.3416","","","","","","1.03","","","","has coordinates,has disorder","242221","2020-10-21","18:00:00",""
"4132196","9.62577","0.00003","14.4848","0.00007","18.2568","0.00007","90","","90","","90","","2545.5","0.018","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 N O3 S -","- C31 H25 N O3 S -","- C124 H100 N4 O12 S4 -","4","1","","Jin, Jianwen; Zhao, Yichao; Gouranourimi, Ali; Ariafard, Alireza; Hong Chan, Philip Wai","Chiral Brønsted Acid Catalyzed Enantioselective Dehydrative Nazarov-Type Electrocyclization of Aryl and 2-Thienyl Vinyl Alcohols.","Journal of the American Chemical Society","2018","140","17","5834","5841","10.1021/jacs.8b02339","","x-ray","1.54184","CuKα","","0.0251","0.025","","","0.0698","0.0699","","","","","","1.066","","","","has coordinates","242222","2020-10-21","18:00:00",""
"4132197","5.264","0.0011","20.199","0.004","11.328","0.002","90","","99.87","0.03","90","","1186.7","0.4","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N O4 -","- C28 H29 N O4 -","- C56 H58 N2 O8 -","2","1","","Jin, Jianwen; Zhao, Yichao; Gouranourimi, Ali; Ariafard, Alireza; Hong Chan, Philip Wai","Chiral Brønsted Acid Catalyzed Enantioselective Dehydrative Nazarov-Type Electrocyclization of Aryl and 2-Thienyl Vinyl Alcohols.","Journal of the American Chemical Society","2018","140","17","5834","5841","10.1021/jacs.8b02339","","","0.71073","MoKα","","0.064","0.0628","","","0.1678","0.1693","","","","","","1.057","","","","has coordinates","242223","2020-10-21","18:00:00",""
"4132198","9.454","0.0005","10.1497","0.0005","15.3519","0.0008","75.573","0.004","86.417","0.004","89.725","0.004","1423.77","0.13","220","0.1","220","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H24 N2 O2 -","- C36 H24 N2 O2 -","- C72 H48 N4 O4 -","2","1","","He, Xuewen; Zhao, Zheng; Xiong, Ling-Hong; Gao, Peng Fei; Peng, Chen; Li, Rong Sheng; Xiong, Yu; Li, Zhi; Sung, Herman H.-Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Huang, Cheng Zhi; Ma, Nan; Tang, Ben Zhong","Redox-Active AIEgen-Derived Plasmonic and Fluorescent Core@Shell Nanoparticles for Multimodality Bioimaging.","Journal of the American Chemical Society","2018","140","22","6904","6911","10.1021/jacs.8b02350","","x-ray","1.54184","CuKα","","0.0435","0.0376","","","0.0978","0.102","","","","","","1.004","","","","has coordinates","242224","2020-10-21","18:00:00",""
"4132199","14.0173","0.0015","15.6044","0.0015","21.793","0.002","81.23","0.002","83.509","0.002","81.202","0.002","4636","0.8","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H68 Al2 F48 N4 O8 -","- C83.9936 H67.9952 Al2 F47.9904 N4 O8 -","- C167.987 H135.99 Al4 F95.9808 N8 O16 -","2","1","","Wang, Wenqing; Chen, Chao; Shu, Chan; Rajca, Suchada; Wang, Xinping; Rajca, Andrzej","S = 1 Tetraazacyclophane Diradical Dication with Robust Stability: A Case of Low-Temperature One-Dimensional Antiferromagnetic Chain.","Journal of the American Chemical Society","2018","140","25","7820","7826","10.1021/jacs.8b02415","","","0.71073","MoKα","","0.0902","0.0489","","","0.1141","0.1346","","","","","","0.978","","","","has coordinates,has disorder","242225","2020-10-21","18:00:00",""
"4132200","14.1081","0.001","15.6055","0.0011","21.8291","0.0015","81.4403","0.0016","83.4804","0.0017","81.0841","0.0018","4674.8","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H68 Al2 F48 N4 O8 -","- C84 H68 Al2 F48 N4 O8 -","- C168 H136 Al4 F96 N8 O16 -","2","1","","Wang, Wenqing; Chen, Chao; Shu, Chan; Rajca, Suchada; Wang, Xinping; Rajca, Andrzej","S = 1 Tetraazacyclophane Diradical Dication with Robust Stability: A Case of Low-Temperature One-Dimensional Antiferromagnetic Chain.","Journal of the American Chemical Society","2018","140","25","7820","7826","10.1021/jacs.8b02415","","","0.71073","MoKα","","0.062","0.0437","","","0.1169","0.1295","","","","","","1.064","","","","has coordinates,has disorder","242227","2020-10-21","18:00:00",""
"4132201","10.6293","0.0006","19.9421","0.0011","13.7025","0.0008","90","","99.2721","0.0007","90","","2866.6","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 F7 Ir N4 -","- C33 H24 F7 Ir N4 -","- C132 H96 F28 Ir4 N16 -","4","1","","Na, Hanah; Teets, Thomas S.","Highly Luminescent Cyclometalated Iridium Complexes Generated by Nucleophilic Addition to Coordinated Isocyanides.","Journal of the American Chemical Society","2018","140","20","6353","6360","10.1021/jacs.8b02416","","","0.71073","MoKα","","0.0208","0.0197","","","0.0466","0.0471","","","","","","1.09","","","","has coordinates","242228","2020-10-21","18:00:00",""
"4132202","11.392","0.007","21.133","0.014","13.834","0.009","90","","94.876","0.008","90","","3318","4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 F4 Ir N5 O2 -","- C33 H26 F4 Ir N5 O2 -","- C132 H104 F16 Ir4 N20 O8 -","4","1","","Na, Hanah; Teets, Thomas S.","Highly Luminescent Cyclometalated Iridium Complexes Generated by Nucleophilic Addition to Coordinated Isocyanides.","Journal of the American Chemical Society","2018","140","20","6353","6360","10.1021/jacs.8b02416","","","0.71073","MoKα","","0.0306","0.0272","","","0.0593","0.0606","","","","","","1.117","","","","has coordinates","242228","2020-10-21","18:00:00",""
"4132203","16.7013","0.0009","11.2843","0.0006","18.1118","0.001","90","","113.543","0.0007","90","","3129.3","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 F4 Ir N5 O2 -","- C35 H30 F4 Ir N5 O2 -","- C140 H120 F16 Ir4 N20 O8 -","4","1","","Na, Hanah; Teets, Thomas S.","Highly Luminescent Cyclometalated Iridium Complexes Generated by Nucleophilic Addition to Coordinated Isocyanides.","Journal of the American Chemical Society","2018","140","20","6353","6360","10.1021/jacs.8b02416","","","0.71073","MoKα","","0.0288","0.0229","","","0.0569","0.0678","","","","","","1.156","","","","has coordinates","242228","2020-10-21","18:00:00",""
"4132204","23.9379","0.001","11.9202","0.0005","15.6551","0.0012","90","","130.05","","90","","3419.5","0.3","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H27.5 Cl2.5 Ir N5 O2 S2 -","- C36 H27.5 Cl2.5 Ir N5 O2 S2 -","- C144 H110 Cl10 Ir4 N20 O8 S8 -","4","1","","Na, Hanah; Teets, Thomas S.","Highly Luminescent Cyclometalated Iridium Complexes Generated by Nucleophilic Addition to Coordinated Isocyanides.","Journal of the American Chemical Society","2018","140","20","6353","6360","10.1021/jacs.8b02416","","","0.71073","MoKα","","0.021","0.019","","","0.0407","0.0413","","","","","","0.923","","","","has coordinates,has disorder","242228","2020-10-21","18:00:00",""
"4132205","10.98","0.0015","14.58","0.0019","15.9","0.002","94.5","0.0019","99.7","0.0015","102.6","0.002","2431","0.6","112","","112","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H32 Cl32 N4 O16 Ru4 -","- C74 H28 Cl32 N4 O16 Ru4 -","- C74 H28 Cl32 N4 O16 Ru4 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Magnetic Sponge Behavior via Electronic State Modulations.","Journal of the American Chemical Society","2018","140","16","5644","5652","10.1021/jacs.8b02428","","","0.71075","MoKα","","0.0941","0.0745","","","0.2112","0.279","","","","","","1.161","","","","has coordinates","242229","2020-10-21","18:00:00",""
"4132206","11.044","0.005","14.043","0.007","16.207","0.007","95.936","0.004","99.486","0.005","109.482","0.006","2303.1","1.8","112","","112","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H24 Cl24 N4 O16 Ru4 -","- C70 H18 Cl24 N4 O16 Ru4 -","- C70 H18 Cl24 N4 O16 Ru4 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Magnetic Sponge Behavior via Electronic State Modulations.","Journal of the American Chemical Society","2018","140","16","5644","5652","10.1021/jacs.8b02428","","","0.71075","MoKα","","0.1188","0.1057","","","0.2753","0.2951","","","","","","1.047","","","","has coordinates","242229","2020-10-21","18:00:00",""
"4132207","11.002","0.003","14.584","0.004","15.965","0.005","95.065","0.004","99.399","0.003","103.745","0.005","2433.2","1.2","116","","116","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H28 Cl28 N4 O16 Ru4 -","- C72 H26 Cl28 N4 O16 Ru4 -","- C72 H26 Cl28 N4 O16 Ru4 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Magnetic Sponge Behavior via Electronic State Modulations.","Journal of the American Chemical Society","2018","140","16","5644","5652","10.1021/jacs.8b02428","","","0.71075","MoKα","","0.0845","0.0768","","","0.2139","0.2237","","","","","","1.039","","","","has coordinates","242229","2020-10-21","18:00:00",""
"4132208","11.008","0.004","13.982","0.006","16.198","0.006","96.129","0.004","99.372","0.006","109.695","0.007","2280.6","1.5","103","","103","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H24 Cl24 N4 O16 Ru4 -","- C70 H14 Cl24 N4 O16 Ru4 -","- C70 H14 Cl24 N4 O16 Ru4 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Magnetic Sponge Behavior via Electronic State Modulations.","Journal of the American Chemical Society","2018","140","16","5644","5652","10.1021/jacs.8b02428","","","0.71075","MoKα","","0.1018","0.0749","","","0.1966","0.2307","","","","","","1.078","","","","has coordinates","242229","2020-10-21","18:00:00",""
"4132209","7.467","0.007","9.997","0.009","11.538","0.011","80.37","0.03","85.46","0.04","71.51","0.03","805","1.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N3 O8 -","- C15 H13 N3 O8 -","- C30 H26 N6 O16 -","2","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0756","0.0625","","","0.1633","0.1873","","","","","","1.102","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132210","8.209","0.005","11.582","0.006","15.675","0.008","90","","100.525","0.004","90","","1465.3","1.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O8 -","- C14 H11 N3 O8 -","- C56 H44 N12 O32 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0432","0.041","","","0.1195","0.1226","","","","","","1.13","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132211","6.471","0.004","17.119","0.011","13.9","0.009","90","","98.322","0.008","90","","1523.6","1.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O7 -","- C15 H13 N3 O7 -","- C60 H52 N12 O28 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0568","0.0528","","","0.1542","0.1671","","","","","","1.124","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132212","7.806","0.007","10.767","0.009","17.948","0.015","80.47","0.02","86.02","0.03","78.432","0.018","1456","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N2 O6 -","- C15 H14 N2 O6 -","- C60 H56 N8 O24 -","4","2","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.1146","0.083","","","0.2086","0.2511","","","","","","1.115","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132213","7.3427","0.0019","16.733","0.004","11.153","0.003","90","","97.192","0.014","90","","1359.5","0.6","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0904","0.0793","","","0.1989","0.2116","","","","","","1.18","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132214","3.821","0.003","33.53","0.03","11.226","0.01","90","","98.496","0.011","90","","1422","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O5 -","- C15 H14 N2 O5 -","- C60 H56 N8 O20 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.1194","0.0835","","","0.2281","0.2656","","","","","","1.16","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132215","7.55","0.008","16.276","0.016","11.939","0.012","90","","98.124","0.014","90","","1452","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O5 -","- C15 H14 N2 O5 -","- C60 H56 N8 O20 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0738","0.0637","","","0.1711","0.1857","","","","","","1.134","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132216","5.341","0.006","31.98","0.03","8.406","0.009","90","","93.563","0.013","90","","1433","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O4 -","- C15 H12 N2 O4 -","- C60 H48 N8 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.116","0.0937","","","0.2671","0.2944","","","","","","1.103","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132217","7.033","0.004","8.877","0.005","27.155","0.016","90","","91.544","0.007","90","","1694.7","1.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N4 O10 -","- C14 H12 N4 O10 -","- C56 H48 N16 O40 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0717","0.0555","","","0.1482","0.1599","","","","","","1.107","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132218","3.832","0.004","30.51","0.03","11.789","0.011","90","","90.809","0.009","90","","1378","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl N2 O3 -","- C15 H11 Cl N2 O3 -","- C60 H44 Cl4 N8 O12 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0925","0.0759","","","0.208","0.231","","","","","","1.255","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132219","23.138","0.018","9.93","0.008","9.613","0.007","90","","95.908","0.01","90","","2197","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O7 -","- C23 H24 N2 O7 -","- C92 H96 N8 O28 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.1013","0.0781","","","0.1941","0.2199","","","","","","1.186","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132220","6.315","0.008","7.061","0.007","15.048","0.017","85.167","0.013","83.67","0.04","81.671","0.016","658.3","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N O4 -","- C15 H18 N O4 -","- C30 H36 N2 O8 -","2","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0627","0.0532","","","0.1494","0.1583","","","","","","1.077","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132221","3.936","0.005","15.88","0.02","20.64","0.03","90","","90.518","0.011","90","","1290","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.1024","0.0736","","","0.191","0.2298","","","","","","1.146","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4132222","3.909","0.007","13.08","0.02","13.52","0.02","105.33","0.03","90.581","0.016","92.2","0.03","666","1.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl N O4 -","- C14 H12 Cl N O4 -","- C28 H24 Cl2 N2 O8 -","2","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.098","0.0802","","","0.2293","0.256","","","","","","1.132","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132223","7.35","0.009","20.77","0.02","9.208","0.011","90","","106.107","0.014","90","","1351","3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.1026","0.0751","","","0.1738","0.1984","","","","","","1.173","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132224","7.125","0.006","8.363","0.006","25.54","0.02","90","","97.922","0.011","90","","1507","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O8 -","- C14 H11 N3 O8 -","- C56 H44 N12 O32 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0633","0.0562","","","0.1593","0.1699","","","","","","1.148","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132225","6.358","0.004","6.932","0.005","14.993","0.011","87.16","0.02","83.62","0.02","81.62","0.02","649.3","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl N O4 -","- C14 H12 Cl N O4 -","- C28 H24 Cl2 N2 O8 -","2","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0674","0.0544","","","0.1523","0.2099","","","","","","1.247","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132226","6.451","0.004","6.728","0.005","15.3","0.01","88.57","0.02","84.457","0.018","82.348","0.019","655","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C28 H24 N4 O12 -","2","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0455","0.0407","","","0.119","0.1308","","","","","","1.096","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132227","13.7006","0.0006","14.0075","0.0005","16.8978","0.0012","90","","115.615","0.004","90","","2924.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O8 -","- C14 H11 N3 O8 -","- C112 H88 N24 O64 -","8","2","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0675","0.0478","","","0.1195","0.1346","","","","","","1.029","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132228","7.075","0.005","16.73","0.01","27.134","0.017","90","","95.336","0.006","90","","3198","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O8 -","- C14 H14 N4 O8 -","- C112 H112 N32 O64 -","8","2","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.1049","0.0826","","","0.1976","0.2137","","","","","","1.168","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132229","12.5436","0.0006","12.6964","0.0006","23.2297","0.0011","101.867","0.002","90.763","0.002","100.14","0.002","3559.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H125 As3 Ga2 N4 -","- C68 H97 As3 Ga2 N4 -","- C136 H194 As6 Ga4 N8 -","2","1","","Helling, Christoph; Wölper, Christoph; Schulz, Stephan","Synthesis of a Gallaarsene {HC[C(Me)N-2,6- i-Pr<sub>2</sub>-C<sub>6</sub>H<sub>3</sub>]<sub>2</sub>}GaAsCp* Containing a Ga═As Double Bond.","Journal of the American Chemical Society","2018","140","15","5053","5056","10.1021/jacs.8b02447","","","0.71073","MoKα","","0.0418","0.0318","","","0.0812","0.0859","","","","","","1.037","","","","has coordinates","242231","2020-10-21","18:00:00",""
"4132230","11.8364","0.0005","18.1069","0.0008","18.3359","0.0008","87.481","0.002","81.731","0.002","73.919","0.002","3736.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H56 As Ga N2 -","- C39 H56 As Ga N2 -","- C156 H224 As4 Ga4 N8 -","4","2","","Helling, Christoph; Wölper, Christoph; Schulz, Stephan","Synthesis of a Gallaarsene {HC[C(Me)N-2,6- i-Pr<sub>2</sub>-C<sub>6</sub>H<sub>3</sub>]<sub>2</sub>}GaAsCp* Containing a Ga═As Double Bond.","Journal of the American Chemical Society","2018","140","15","5053","5056","10.1021/jacs.8b02447","","","0.71073","MoKα","","0.0473","0.0324","","","0.0754","0.0822","","","","","","1.028","","","","has coordinates,has disorder","242231","2020-10-21","18:00:00",""
"4132231","11.47072","0.00018","9.95859","0.00017","33.1143","0.0006","90","","96.5187","0.0016","90","","3758.26","0.11","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 F3 N2 O3 -","- C20 H19 F3 N2 O3 -","- C160 H152 F24 N16 O24 -","8","1","","Zhang, Linmeng; Zhang, Xiaocui; Yao, Zhuojun; Jiang, Shichao; Deng, Jiajie; Li, Bo; Yu, Zhipeng","Discovery of Fluorogenic Diarylsydnone-Alkene Photoligation: Conversion of ortho-Dual-Twisted Diarylsydnones into Planar Pyrazolines.","Journal of the American Chemical Society","2018","140","24","7390","7394","10.1021/jacs.8b02493","","x-ray","1.54184","CuKα","","0.0751","0.0699","","","0.192","0.1972","","","","","","1.046","","","","has coordinates","242232","2020-10-21","18:00:00",""
"4132232","8.6341","0.0004","15.3202","0.0005","12.6571","0.0006","90","","104.38","0.004","90","","1621.78","0.12","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F3 N3 O2 -","- C17 H14 F3 N3 O2 -","- C68 H56 F12 N12 O8 -","4","1","","Zhang, Linmeng; Zhang, Xiaocui; Yao, Zhuojun; Jiang, Shichao; Deng, Jiajie; Li, Bo; Yu, Zhipeng","Discovery of Fluorogenic Diarylsydnone-Alkene Photoligation: Conversion of ortho-Dual-Twisted Diarylsydnones into Planar Pyrazolines.","Journal of the American Chemical Society","2018","140","24","7390","7394","10.1021/jacs.8b02493","","x-ray","0.71073","MoKα","","0.0925","0.0629","","","0.1551","0.179","","","","","","1.033","","","","has coordinates,has disorder","242233","2020-10-21","18:00:00",""
"4132233","10.0804","0.0004","20.9776","0.0008","12.4916","0.0004","90","","98.816","0.003","90","","2610.3","0.17","143.1","0.2","143.1","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N2 O9 -","- C30 H22 N2 O9 -","- C120 H88 N8 O36 -","4","1","","Zhang, Linmeng; Zhang, Xiaocui; Yao, Zhuojun; Jiang, Shichao; Deng, Jiajie; Li, Bo; Yu, Zhipeng","Discovery of Fluorogenic Diarylsydnone-Alkene Photoligation: Conversion of ortho-Dual-Twisted Diarylsydnones into Planar Pyrazolines.","Journal of the American Chemical Society","2018","140","24","7390","7394","10.1021/jacs.8b02493","","x-ray","0.71073","MoKα","","0.0776","0.0495","","","0.1057","0.1245","","","","","","1.019","","","","has coordinates","242234","2020-10-21","18:00:00",""
"4132234","7.4972","0.0006","10.1381","0.0009","11.0921","0.0009","71.133","0.008","70.386","0.008","78.79","0.007","748","0.12","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 F3 N2 O3 -","- C16 H11 F3 N2 O3 -","- C32 H22 F6 N4 O6 -","2","1","","Zhang, Linmeng; Zhang, Xiaocui; Yao, Zhuojun; Jiang, Shichao; Deng, Jiajie; Li, Bo; Yu, Zhipeng","Discovery of Fluorogenic Diarylsydnone-Alkene Photoligation: Conversion of ortho-Dual-Twisted Diarylsydnones into Planar Pyrazolines.","Journal of the American Chemical Society","2018","140","24","7390","7394","10.1021/jacs.8b02493","","x-ray","0.71073","MoKα","","0.0865","0.0517","","","0.1212","0.1446","","","","","","1.021","","","","has coordinates","242235","2020-10-21","18:00:00",""
"4132235","23.631","0.002","13.8788","0.0013","18.5349","0.0018","90","","90","","90","","6078.9","1","230","2","230","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C59 H91 Cu3 K N6 O3.5 Se -","- C59 H91 Cu3 K N6 O3.5 Se -","- C236 H364 Cu12 K4 N24 O14 Se4 -","4","1","","Cook, Brian J.; Di Francesco, Gianna N.; Abboud, Khalil A.; Murray, Leslie J.","Countercations and Solvent Influence CO<sub>2</sub> Reduction to Oxalate by Chalcogen-Bridged Tricopper Cyclophanates.","Journal of the American Chemical Society","2018","140","17","5696","5700","10.1021/jacs.8b02508","","","0.71073","MoKα","","0.1421","0.0618","","","0.1324","0.1652","","","","","","0.995","","","","has coordinates,has disorder","242236","2020-10-21","18:00:00",""
"4132236","23.4096","0.0015","13.726","0.0009","18.4332","0.0012","90","","90","","90","","5923","0.7","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C61 H95 Cu3 K N6 O4 S -","- C61 H95 Cu3 K N6 O4 S -","- C244 H380 Cu12 K4 N24 O16 S4 -","4","1","","Cook, Brian J.; Di Francesco, Gianna N.; Abboud, Khalil A.; Murray, Leslie J.","Countercations and Solvent Influence CO<sub>2</sub> Reduction to Oxalate by Chalcogen-Bridged Tricopper Cyclophanates.","Journal of the American Chemical Society","2018","140","17","5696","5700","10.1021/jacs.8b02508","","","0.71073","MoKα","","0.0328","0.0248","","","0.0506","0.0522","","","","","","0.947","","","","has coordinates","242237","2020-10-21","18:00:00",""
"4132237","5.6776","0.0002","14.2324","0.0005","19.406","0.0007","90","","90","","90","","1568.12","0.1","100","2","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br O7 -","- C16 H15 Br O7 -","- C64 H60 Br4 O28 -","4","1","","Wu, Xiaowei; Iwata, Takayuki; Scharf, Adam; Qin, Tian; Reichl, Kyle D.; Porco, Jr, John A","Asymmetric Synthesis of Gonytolide A: Strategic Use of an Aryl Halide Blocking Group for Oxidative Coupling.","Journal of the American Chemical Society","2018","140","18","5969","5975","10.1021/jacs.8b02535","","","1.54178","CuKα","","0.0253","0.0236","","","0.0547","0.0553","","","","","","1.061","","","","has coordinates","242238","2020-10-21","18:00:00",""
"4132238","12.8266","0.0006","13.9034","0.0007","16.8142","0.0008","90","","101.097","0.002","90","","2942.5","0.2","100","","99.89","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 O14.05 -","- C32 H30 O14.049 -","- C128 H120 O56.196 -","4","1","","Wu, Xiaowei; Iwata, Takayuki; Scharf, Adam; Qin, Tian; Reichl, Kyle D.; Porco, Jr, John A","Asymmetric Synthesis of Gonytolide A: Strategic Use of an Aryl Halide Blocking Group for Oxidative Coupling.","Journal of the American Chemical Society","2018","140","18","5969","5975","10.1021/jacs.8b02535","","","1.54178","CuKα","","0.0372","0.0361","","","0.0957","0.0967","","","","","","1.027","","","","has coordinates","242239","2020-10-21","18:00:00",""
"4132239","19.3814","0.0003","16.8448","0.0003","21.1946","0.0003","90","","90","","90","","6919.52","0.19","110","2","110","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H44 Si6 -","- C32 H44 Si6 -","- C256 H352 Si48 -","8","1","","Marro, Eric A.; Press, Eric M.; Siegler, Maxime A.; Klausen, Rebekka S.","Directional Building Blocks Determine Linear and Cyclic Silicon Architectures.","Journal of the American Chemical Society","2018","140","18","5976","5986","10.1021/jacs.8b02541","","","0.71073","MoKα","","0.0382","0.0302","","","0.0742","0.0787","","","","","","1.075","","","","has coordinates","242240","2020-10-21","18:00:00",""
"4132240","7.7684","0.0002","10.9017","0.0003","21.8627","0.0006","90","","90","","90","","1851.53","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C88 H116 N4 O8 -","4","1","","Zhang, Xingjie; Xie, Xin; Liu, Yuanhong","Nickel-Catalyzed Highly Regioselective Hydrocyanation of Terminal Alkynes with Zn(CN)<sub>2</sub> Using Water as the Hydrogen Source.","Journal of the American Chemical Society","2018","140","24","7385","7389","10.1021/jacs.8b02542","","","1.54178","CuKα","","0.0376","0.0368","","","0.0951","0.0959","","","","","","1.072","","","","has coordinates","242241","2020-10-21","18:00:00",""
"4132241","8.57436","0.00015","6.43605","0.00018","13.5714","0.0003","90","","97.6815","0.0017","90","","742.22","0.03","294","2","294.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 -","- C18 H18 N2 -","- C36 H36 N4 -","2","1","","Wang, Yin-Xia; Qi, Shao-Long; Luan, Yu-Xin; Han, Xing-Wang; Wang, Shan; Chen, Hao; Ye, Mengchun","Enantioselective Ni-Al Bimetallic Catalyzed exo-Selective C-H Cyclization of Imidazoles with Alkenes.","Journal of the American Chemical Society","2018","140","16","5360","5364","10.1021/jacs.8b02547","","x-ray","1.54184","CuKα","","0.0449","0.0445","","","0.131","0.1316","","","","","","1.077","","","","has coordinates","242242","2020-10-21","18:00:00",""
"4132242","10.8999","0.0009","5.6054","0.0005","13.3076","0.0011","90","","91.6866","0.0014","90","","812.72","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 Cl N -","- C19 H24 Cl N -","- C38 H48 Cl2 N2 -","2","1","","Gribble, Jr, Michael W; Guo, Sheng; Buchwald, Stephen L.","Asymmetric Cu-Catalyzed 1,4-Dearomatization of Pyridines and Pyridazines without Preactivation of the Heterocycle or Nucleophile.","Journal of the American Chemical Society","2018","140","15","5057","5060","10.1021/jacs.8b02568","","","0.71073","MoKα","","0.031","0.0291","","","0.0727","0.0741","","","","","","1.039","","","","has coordinates","242243","2020-10-21","18:00:00",""
"4132243","20.071","0.0009","17.5234","0.0008","21.7136","0.0009","90","","106.65","0.002","90","","7316.7","0.6","100","2","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H98 Fe2 N2 O P4 S2 Si2 -","- C76 H97.662 Fe2 N2 O P4 S2 Si2 -","- C304 H390.648 Fe8 N8 O4 P16 S8 Si8 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","An S = <sup>1</sup>/<sub>2</sub> Iron Complex Featuring N<sub>2</sub>, Thiolate, and Hydride Ligands: Reductive Elimination of H<sub>2</sub> and Relevant Thermochemical Fe-H Parameters.","Journal of the American Chemical Society","2018","140","20","6374","6382","10.1021/jacs.8b02603","","","0.71073","MoKα","","0.0559","0.0378","","","0.0776","0.0847","","","","","","1.037","","","","has coordinates,has disorder","242244","2020-10-21","18:00:00",""
"4132244","19.3145","0.0016","13.0291","0.0011","35.412","0.003","90","","90","","90","","8911.4","1.3","100","2","100.03","","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C43.83 H62.62 Fe Li N2 O2 P2 S Si -","- C43.834 H62.623 Fe Li N2 O2 P2 S Si -","- C350.672 H500.984 Fe8 Li8 N16 O16 P16 S8 Si8 -","8","2","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","An S = <sup>1</sup>/<sub>2</sub> Iron Complex Featuring N<sub>2</sub>, Thiolate, and Hydride Ligands: Reductive Elimination of H<sub>2</sub> and Relevant Thermochemical Fe-H Parameters.","Journal of the American Chemical Society","2018","140","20","6374","6382","10.1021/jacs.8b02603","","","0.71073","MoKα","","0.0628","0.052","","","0.1236","0.1284","","","","","","1.088","","","","has coordinates,has disorder","242244","2020-10-21","18:00:00",""
"4132245","12.739","0.003","19.956","0.004","21.496","0.004","90","","105.629","0.003","90","","5262.7","1.9","100","2","99.98","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C51.96 H75.25 Fe Li N2 O6 P2 S Si -","- C51.952 H75.251 Fe Li N2 O6.01 P2 S Si -","- C207.808 H301.004 Fe4 Li4 N8 O24.04 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","An S = <sup>1</sup>/<sub>2</sub> Iron Complex Featuring N<sub>2</sub>, Thiolate, and Hydride Ligands: Reductive Elimination of H<sub>2</sub> and Relevant Thermochemical Fe-H Parameters.","Journal of the American Chemical Society","2018","140","20","6374","6382","10.1021/jacs.8b02603","","","0.71073","MoKα","","0.1343","0.0943","","","0.2187","0.249","","","","","","1.138","","","","has coordinates,has disorder","242244","2020-10-21","18:00:00",""
"4132246","15.8933","0.0007","12.1269","0.0005","17.6931","0.0007","90","","91.91","0.002","90","","3408.2","0.2","100","2","99.99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Fe N2 P2 S Si -","- C36 H45 Fe N2 P2 S Si -","- C144 H180 Fe4 N8 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","An S = <sup>1</sup>/<sub>2</sub> Iron Complex Featuring N<sub>2</sub>, Thiolate, and Hydride Ligands: Reductive Elimination of H<sub>2</sub> and Relevant Thermochemical Fe-H Parameters.","Journal of the American Chemical Society","2018","140","20","6374","6382","10.1021/jacs.8b02603","","","1.54178","CuKα","","0.0595","0.0442","","","0.0917","0.0981","","","","","","1.044","","","","has coordinates,has disorder","242244","2020-10-21","18:00:00",""
"4132247","14.404","0.0017","20.067","0.002","21.317","0.003","90","","109.234","0.004","90","","5817.6","1.2","100","2","99.98","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C56.55 H86.19 Fe N2 Na O8.45 P2 S Si -","- C56.55 H86.2 Fe N2 Na O8.45 P2 S Si -","- C226.2 H344.8 Fe4 N8 Na4 O33.8 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","An S = <sup>1</sup>/<sub>2</sub> Iron Complex Featuring N<sub>2</sub>, Thiolate, and Hydride Ligands: Reductive Elimination of H<sub>2</sub> and Relevant Thermochemical Fe-H Parameters.","Journal of the American Chemical Society","2018","140","20","6374","6382","10.1021/jacs.8b02603","","","0.71073","MoKα","","0.0866","0.0621","","","0.1482","0.1602","","","","","","1.069","","","","has coordinates,has disorder","242244","2020-10-21","18:00:00",""
"4132248","10.1224","0.0009","16.4372","0.0014","21.1981","0.0018","90","","99.32","0.003","90","","3480.5","0.5","100","2","100.01","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H47 Fe N P2 S Si -","- C38 H47 Fe N P2 S Si -","- C152 H188 Fe4 N4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","An S = <sup>1</sup>/<sub>2</sub> Iron Complex Featuring N<sub>2</sub>, Thiolate, and Hydride Ligands: Reductive Elimination of H<sub>2</sub> and Relevant Thermochemical Fe-H Parameters.","Journal of the American Chemical Society","2018","140","20","6374","6382","10.1021/jacs.8b02603","","","0.71073","MoKα","","0.05","0.0334","","","0.0798","0.0906","","","","","","1.074","","","","has coordinates,has disorder","242244","2020-10-21","18:00:00",""
"4132249","6.1297","0.0018","12.781","0.004","14.79","0.005","90","","90","","90","","1158.7","0.6","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Cl I O -","- C11 H12 Cl I O -","- C44 H48 Cl4 I4 O4 -","4","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0155","0.0145","","","0.0343","0.0345","","","","","","1.011","","","","has coordinates","242245","2020-10-21","18:00:00",""
"4132250","11.5142","0.0017","13.629","0.002","33.558","0.005","90","","90","","90","","5266.2","1.3","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H50 I2 N O3 P Si2 -","- C64 H50 I2 N O3 P Si2 -","- C256 H200 I8 N4 O12 P4 Si8 -","4","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0938","0.0672","","","0.162","0.1899","","","","","","1.069","","","","has coordinates","242246","2020-10-21","18:00:00",""
"4132251","12.371","0.003","9.374","0.002","15.26","0.004","90","","95.279","0.005","90","","1762.1","0.7","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Br I P S -","- C18 H15 Br I P S -","- C72 H60 Br4 I4 P4 S4 -","4","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0663","0.0602","","","0.1453","0.1482","","","","","","1.029","","","","has coordinates","242247","2020-10-21","18:00:00",""
"4132252","10.815","0.002","9.2369","0.0016","25.431","0.005","90","","101.749","0.003","90","","2487.3","0.8","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H50 N O3 P Si2 -","- C64 H50 N O3 P Si2 -","- C128 H100 N2 O6 P2 Si4 -","2","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0363","0.0325","","","0.0825","0.0871","","","","","","1.018","","","","has coordinates","242248","2020-10-21","18:00:00",""
"4132253","9.079","0.003","12.14","0.005","14.018","0.005","78.003","0.016","77.069","0.015","81.756","0.018","1465.4","0.9","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C74 H64 N O3 P Si2 -","- C74 H64 N O3 P Si2 -","- C74 H64 N O3 P Si2 -","1","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0524","0.0429","","","0.0978","0.1006","","","","","","0.998","","","","has coordinates","242249","2020-10-21","18:00:00",""
"4132254","8.848","0.0019","9.559","0.002","12.435","0.003","84.477","0.011","74.428","0.008","81.055","0.01","999.2","0.4","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 I3 P S -","- C18 H15 I3 P S -","- C36 H30 I6 P2 S2 -","2","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0698","0.0673","","","0.1826","0.1846","","","","","","1.049","","","","has coordinates","242250","2020-10-21","18:00:00",""
"4132255","9.059","0.003","9.733","0.003","10.77","0.003","90","","102.591","0.006","90","","926.8","0.5","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 I O2 -","- C21 H25 I O2 -","- C42 H50 I2 O4 -","2","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0155","0.0152","","","0.0407","0.0408","","","","","","1.097","","","","has coordinates","242251","2020-10-21","18:00:00",""
"4132256","12.867","0.006","13.018","0.006","13.291","0.006","95.741","0.011","116.713","0.011","104.68","0.011","1863.8","1.5","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C82 H104 O12 -","- C82 H104 O12 -","- C82 H104 O12 -","1","0.5","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.71073","MoKα","","0.1421","0.0914","","","0.2494","0.2834","","","","","","1.056","","","","has coordinates","242252","2020-10-21","18:00:00",""
"4132257","11.1","0.02","12.196","0.019","14.06","0.03","93.34","0.17","94.55","0.18","102.22","0.16","1849","6","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C74 H94 O12 -","- C74 H94 O12 -","- C74 H94 O12 -","1","0.5","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.6889","Synchrotron","","0.3027","0.1173","","","0.1553","0.1781","","","","","","2.087","","","","has coordinates,has disorder","242253","2020-10-21","18:00:00",""
"4132258","24.6748","0.0018","12.5778","0.0009","26.133","0.003","90","","116.649","0.0018","90","","7248.9","1.1","100","","100","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C74 H94 O12 -","- C74 H94 O12 -","- C296 H376 O48 -","4","0.5","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.71073","MoKα","","0.1188","0.0792","","","0.2159","0.2479","","","","","","1.047","","","","has coordinates,has disorder","242254","2020-10-21","18:00:00",""
"4132259","11.5241","0.0009","12.903","0.0011","22.5069","0.0019","90","","91.752","0.002","90","","3345.1","0.5","240","","240","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C74 H94 O12 -","- C74 H94 O12 -","- C148 H188 O24 -","2","0.5","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.71073","MoKα","","0.0774","0.0528","","","0.1329","0.1563","","","","","","1.012","","","","has coordinates,has disorder","242255","2020-10-21","18:00:00",""
"4132260","12.6553","0.0009","14.9068","0.001","15.8129","0.0012","102.503","0.002","108.766","0.002","108.108","0.002","2513.2","0.3","240","","240","","","","","","","","","3","P -1","-P 1","2","","","","- C55 H70 O10 -","- C55 H70 O10 -","- C110 H140 O20 -","2","1","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.71073","MoKα","","0.0868","0.0635","","","0.17","0.1966","","","","","","1.028","","","","has coordinates,has disorder","242256","2020-10-21","18:00:00",""
"4132261","11.0743","0.0004","12.6665","0.0004","23.3275","0.0006","86.472","0.003","82.616","0.003","71.064","0.003","3068.77","0.18","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C66 H84 O12 -","- C66 H84 O12 -","- C132 H168 O24 -","2","1","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.6889","Synchrotron","","0.1116","0.061","","","0.1317","0.1479","","","","","","0.752","","","","has coordinates,has disorder","242257","2020-10-21","18:00:00",""
"4132262","12.6961","0.001","20.7685","0.0018","21.3724","0.0018","82.538","0.002","89.865","0.002","89.331","0.002","5587.3","0.8","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C63 H80 O10 -","- C63 H80 O10 -","- C252 H320 O40 -","4","2","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.71073","MoKα","","0.0715","0.051","","","0.1198","0.1311","","","","","","1.017","","","","has coordinates,has disorder","242258","2020-10-21","18:00:00",""
"4132263","14.0646","0.0013","21.414","0.002","21.8397","0.0019","76.973","0.002","84.468","0.002","84.137","0.002","6356.6","1","240","","240","","","","","","","","","3","P -1","-P 1","2","","","","- C137.88 H174.85 O20 -","- C137.896 H174.87 O20 -","- C275.792 H349.74 O40 -","2","1","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.71073","MoKα","","0.0901","0.0525","","","0.1314","0.1562","","","","","","1.009","","","","has coordinates,has disorder","242259","2020-10-21","18:00:00",""
"4132264","11.3308","0.0002","11.3308","0.0002","34.3551","0.0008","90","","90","","120","","3819.82","0.13","100","","100","","","","","","","","","3","P 61","P 61","169","","","","- C27 H40 O7 -","- C27 H40 O7 -","- C162 H240 O42 -","6","1","","Liu, Junyang; Wu, Jianlei; Fan, Jian-Hong; Yan, Xin; Mei, Guangjian; Li, Chuang-Chuang","Asymmetric Total Synthesis of Cyclocitrinol.","Journal of the American Chemical Society","2018","140","16","5365","5369","10.1021/jacs.8b02629","","x-ray","1.54178","CuKα","","0.0371","0.0353","","","0.0854","0.0867","","","","","","1.052","","","","has coordinates","242260","2020-10-21","18:00:00",""
"4132265","6.4359","0.0002","25.5852","0.0006","7.0724","0.0002","90","","107.905","0.0012","90","","1108.17","0.05","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H38 O5 -","- C24 H38 O5 -","- C48 H76 O10 -","2","1","","Liu, Junyang; Wu, Jianlei; Fan, Jian-Hong; Yan, Xin; Mei, Guangjian; Li, Chuang-Chuang","Asymmetric Total Synthesis of Cyclocitrinol.","Journal of the American Chemical Society","2018","140","16","5365","5369","10.1021/jacs.8b02629","","","0.71073","MoKα","","0.0395","0.0369","","","0.1041","0.1106","","","","","","1.063","","","","has coordinates","242261","2020-10-21","18:00:00",""
"4132266","14.5894","0.0002","14.6248","0.0002","29.1828","0.0004","100.657","0.001","101.01","0.001","90.253","0.001","6001.52","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H28 N4 O8 S4 Zn2 -","- C42 H28 N4 O8 S4 Zn2 -","- C168 H112 N16 O32 S16 Zn8 -","4","2","","Hua, Carol; Doheny, Patrick W.; Ding, Bowen; Chan, Bun; Yu, Michelle; Kepert, Cameron J.; D'Alessandro, Deanna M","Through-Space Intervalence Charge Transfer as a Mechanism for Charge Delocalization in Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","21","6622","6630","10.1021/jacs.8b02638","","","1.54178","CuKα","","0.1305","0.1263","","","0.2081","0.21","","","","","","1.258","","","","has coordinates","242262","2020-10-21","18:00:00",""
"4132267","10.469","0.0005","11.9902","0.0005","12.8629","0.0006","111.386","0.004","96.819","0.004","98.464","0.004","1460.78","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H31 N5 O S2 -","- C33 H31 N5 O S2 -","- C66 H62 N10 O2 S4 -","2","1","","Hua, Carol; Doheny, Patrick W.; Ding, Bowen; Chan, Bun; Yu, Michelle; Kepert, Cameron J.; D'Alessandro, Deanna M","Through-Space Intervalence Charge Transfer as a Mechanism for Charge Delocalization in Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","21","6622","6630","10.1021/jacs.8b02638","","","1.54178","CuKα","","0.0717","0.0635","","","0.167","0.1733","","","","","","1.032","","","","has coordinates","242263","2020-10-21","18:00:00",""
"4132268","25.7763","0.0003","18.3697","0.0003","15.7324","0.0002","90","","90","","90","","7449.34","0.18","150","2","150","2","","","","","","","","6","P c c 2","P 2 -2c","27","","","","- C64 H32 N8 O8 S6 Zn2 -","- C64 H32 N8 O8 S6 Zn2 -","- C256 H128 N32 O32 S24 Zn8 -","4","1","","Hua, Carol; Doheny, Patrick W.; Ding, Bowen; Chan, Bun; Yu, Michelle; Kepert, Cameron J.; D'Alessandro, Deanna M","Through-Space Intervalence Charge Transfer as a Mechanism for Charge Delocalization in Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","21","6622","6630","10.1021/jacs.8b02638","","","1.54184","CuKα","","0.0624","0.0597","","","0.1624","0.1648","","","","","","1.037","","","","has coordinates,has disorder","242264","2020-10-21","18:00:00",""
"4132269","33.435","0.007","18.32","0.004","24.428","0.005","90","","90","","90","","14963","5","143","","143","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C98 H88 N8 -","- C98 H88 N8 -","- C784 H704 N64 -","8","0.5","","Inoue, Yuki; Sakamaki, Daisuke; Tsutsui, Yusuke; Gon, Masayuki; Chujo, Yoshiki; Seki, Shu","Hash-Mark-Shaped Azaacene Tetramers with Axial Chirality.","Journal of the American Chemical Society","2018","140","23","7152","7158","10.1021/jacs.8b02689","","","0.71075","MoKα","","0.0893","0.0668","","","0.1561","0.1703","","","","","","1.074","","","","has coordinates","242265","2020-10-21","18:00:00",""
"4132270","31.014","0.009","15.951","0.004","15.969","0.004","90","","103.327","0.005","90","","7687","4","143","","143","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C94 H80 Cl4 N8 -","- C94 H80 Cl4 N8 -","- C376 H320 Cl16 N32 -","4","0.5","","Inoue, Yuki; Sakamaki, Daisuke; Tsutsui, Yusuke; Gon, Masayuki; Chujo, Yoshiki; Seki, Shu","Hash-Mark-Shaped Azaacene Tetramers with Axial Chirality.","Journal of the American Chemical Society","2018","140","23","7152","7158","10.1021/jacs.8b02689","","","0.71075","MoKα","","0.1258","0.1012","","","0.3151","0.3423","","","","","","1.222","","","","has coordinates","242266","2020-10-21","18:00:00",""
"4132271","24.051","0.01","5.6437","0.0019","16.91","0.007","90","","122.885","0.005","90","","1927.5","1.3","143","","143","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N2 -","- C26 H12 N2 -","- C104 H48 N8 -","4","0.5","","Inoue, Yuki; Sakamaki, Daisuke; Tsutsui, Yusuke; Gon, Masayuki; Chujo, Yoshiki; Seki, Shu","Hash-Mark-Shaped Azaacene Tetramers with Axial Chirality.","Journal of the American Chemical Society","2018","140","23","7152","7158","10.1021/jacs.8b02689","","","0.71075","MoKα","","0.0985","0.0894","","","0.2769","0.2924","","","","","","1.083","","","","has coordinates","242267","2020-10-21","18:00:00",""
"4132272","11.5847","0.0004","15.8101","0.0005","19.4838","0.0006","68.749","0.0013","75.104","0.0015","78.43","0.0014","3191.21","0.18","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C87 H56 Cl2 N4 O4 -","- C89 H52 Cl2 N4 O4 -","- C178 H104 Cl4 N8 O8 -","2","1","","Inoue, Yuki; Sakamaki, Daisuke; Tsutsui, Yusuke; Gon, Masayuki; Chujo, Yoshiki; Seki, Shu","Hash-Mark-Shaped Azaacene Tetramers with Axial Chirality.","Journal of the American Chemical Society","2018","140","23","7152","7158","10.1021/jacs.8b02689","","","1.54187","CuKα","","","0.1305","","","","0.3844","","","","","","1.005","","","","has coordinates","242269","2020-10-21","18:00:00",""
"4132273","19.4101","","24.8072","","10.7401","","90","","90","","90","","5171.47","","143","","143","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C104 H106 Cl12 N8 O3 Sb2 -","- C106 H70 Cl12 N8 O3 Sb2 -","- C212 H140 Cl24 N16 O6 Sb4 -","2","0.5","","Inoue, Yuki; Sakamaki, Daisuke; Tsutsui, Yusuke; Gon, Masayuki; Chujo, Yoshiki; Seki, Shu","Hash-Mark-Shaped Azaacene Tetramers with Axial Chirality.","Journal of the American Chemical Society","2018","140","23","7152","7158","10.1021/jacs.8b02689","","","0.71075","MoKα","","0.1065","0.0845","","","0.1989","0.2173","","","","","","1.105","","","","has coordinates","242270","2020-10-21","18:00:00",""
"4132274","11.5111","0.0003","23.1376","0.0007","8.0997","0.0002","90","","90.967","0.003","90","","2156.96","0.1","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 F3 Ir O -","- C24 H30 F3 Ir O -","- C96 H120 F12 Ir4 O4 -","4","1","","Romanov-Michailidis, Fedor; Ravetz, Benjamin D.; Paley, Daniel W.; Rovis, Tomislav","Ir(III)-Catalyzed Carbocarbation of Alkynes through Undirected Double C-H Bond Activation of Anisoles.","Journal of the American Chemical Society","2018","140","16","5370","5374","10.1021/jacs.8b02716","","x-ray","0.71073","MoKα","","0.0584","0.04","","","0.0655","0.0738","","","","","","1.067","","","","has coordinates,has disorder","242271","2020-10-21","18:00:00",""
"4132275","8.252","0.0002","9.1752","0.0002","26.1498","0.0005","80.224","0.002","89.855","0.002","87.327","0.002","1949","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H29 Ir O2 S -","- C20 H29 Ir O2 S -","- C80 H116 Ir4 O8 S4 -","4","2","","Romanov-Michailidis, Fedor; Ravetz, Benjamin D.; Paley, Daniel W.; Rovis, Tomislav","Ir(III)-Catalyzed Carbocarbation of Alkynes through Undirected Double C-H Bond Activation of Anisoles.","Journal of the American Chemical Society","2018","140","16","5370","5374","10.1021/jacs.8b02716","","x-ray","1.54184","CuKα","","0.0305","0.0293","","","0.0695","0.0703","","","","","","1.107","","","","has coordinates","242272","2020-10-21","18:00:00",""
"4132276","13.5428","0.0003","18.8283","0.0003","18.9337","0.0003","91.405","0.001","108.247","0.002","107.063","0.002","4347.1","0.16","99.9","0.3","99.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Cl4 F12 Ir2 -","- C44 H34 Cl4 F12 Ir2 -","- C176 H136 Cl16 F48 Ir8 -","4","2","","Romanov-Michailidis, Fedor; Ravetz, Benjamin D.; Paley, Daniel W.; Rovis, Tomislav","Ir(III)-Catalyzed Carbocarbation of Alkynes through Undirected Double C-H Bond Activation of Anisoles.","Journal of the American Chemical Society","2018","140","16","5370","5374","10.1021/jacs.8b02716","","x-ray","1.54184","CuKα","","0.0408","0.039","","","0.1083","0.1094","","","","","","1.083","","","","has coordinates,has disorder","242273","2020-10-21","18:00:00",""
"4132277","44.899","0.004","12.1059","0.0011","16.7796","0.0014","90","","100.249","0.003","90","","8974.9","1.4","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H68 Cl8 F10 N4 Pd2 -","- C100 H68 Cl8 F10 N4 Pd2 -","- C400 H272 Cl32 F40 N16 Pd8 -","4","0.5","","Ke, Xian-Sheng; Hong, Yongseok; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Metal-Stabilized Quinoidal Dibenzo[ g, p]chrysene-Fused Bis-dicarbacorrole System.","Journal of the American Chemical Society","2018","140","24","7579","7586","10.1021/jacs.8b02718","","","0.71073","MoKα","","0.081","0.0461","","","0.096","0.1062","","","","","","1.031","","","","has coordinates,has disorder","242274","2020-10-21","18:00:00",""
"4132278","9.3385","0.0015","9.8454","0.0016","17.075","0.003","90","","98.278","0.003","90","","1553.5","0.4","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H35 Br2 N O5 -","- C33 H35 Br2 N O5 -","- C66 H70 Br4 N2 O10 -","2","1","","Mori, Keiji; Isogai, Ryo; Kamei, Yuto; Yamanaka, Masahiro; Akiyama, Takahiko","Chiral Magnesium Bisphosphate-Catalyzed Asymmetric Double C(sp<sup>3</sup>)-H Bond Functionalization Based on Sequential Hydride Shift/Cyclization Process.","Journal of the American Chemical Society","2018","140","20","6203","6207","10.1021/jacs.8b02761","","","0.71073","MoKα","","0.0645","0.0442","","","0.0838","0.0905","","","","","","0.969","","","","has coordinates","242275","2020-10-21","18:00:00",""
"4132279","17.4658","0.0008","17.4658","0.0008","15.8447","0.0009","90","","90","","90","","4833.5","0.4","295.35","0.1","295.35","0.1","","","","","","","","4","I -4","I -4","82","","","","- C24 H26 N3 O -","- C24 H26 N3 O -","- C192 H208 N24 O8 -","8","1","","Cao, Wei; Wang, Wei David; Xu, Hai-Sen; Sergeyev, Ivan V.; Struppe, Jochem; Wang, Xiaoling; Mentink-Vigier, Frederic; Gan, Zhehong; Xiao, Ming-Xing; Wang, Lu-Yao; Chen, Guo-Peng; Ding, San-Yuan; Bai, Shi; Wang, Wei","Exploring Applications of Covalent Organic Frameworks: Homogeneous Reticulation of Radicals for Dynamic Nuclear Polarization.","Journal of the American Chemical Society","2018","140","22","6969","6977","10.1021/jacs.8b02839","","","0.71073","MoKα","","0.2477","0.1165","","","0.2906","0.3798","","","","","","0.958","","","","has coordinates","242276","2020-10-21","18:00:00",""
"4132280","15.8988","0.0003","13.9099","0.0004","20.4188","0.0006","90","","93.141","0.002","90","","4508.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H84 Cl2 P2 Pt -","- C42 H84 Cl2 P2 Pt -","- C168 H336 Cl8 P8 Pt4 -","4","1","","Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH<sub>2</sub>) <sub>m</sub>CH═CH<sub>2</sub>)<sub>3</sub> (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.","Journal of the American Chemical Society","2018","140","27","8463","8478","10.1021/jacs.8b02846","","","0.71073","MoKα","","0.0849","0.0436","","","0.0947","0.1099","","","","","","1.02","","","","has coordinates","242277","2020-10-21","18:00:00",""
"4132281","10.5573","0.0002","16.0058","0.0003","17.6476","0.0009","94.62","0.009","91.338","0.008","97.183","0.009","2947.36","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H48 Cl2 O6 P2 Pt -","- C24 H48 Cl2 O6 P2 Pt -","- C96 H192 Cl8 O24 P8 Pt4 -","4","2","","Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH<sub>2</sub>) <sub>m</sub>CH═CH<sub>2</sub>)<sub>3</sub> (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.","Journal of the American Chemical Society","2018","140","27","8463","8478","10.1021/jacs.8b02846","","","0.71073","MoKα","","0.0357","0.0251","","","0.0576","0.0617","","","","","","1.02","","","","has coordinates","242278","2020-10-21","18:00:00",""
"4132282","27.366","0.0007","27.366","0.0007","26.318","0.0008","90","","90","","120","","17068.9","0.8","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C30 H60 Cl2 O6 P2 Pt -","- C30 H60 Cl2 O6 P2 Pt -","- C540 H1080 Cl36 O108 P36 Pt18 -","18","0.5","","Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH<sub>2</sub>) <sub>m</sub>CH═CH<sub>2</sub>)<sub>3</sub> (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.","Journal of the American Chemical Society","2018","140","27","8463","8478","10.1021/jacs.8b02846","","","0.71073","MoKα","","0.1032","0.0608","","","0.1546","0.1813","","","","","","1.046","","","","has coordinates","242279","2020-10-21","18:00:00",""
"4132283","24.469","0.002","13.88","0.0012","20.2636","0.0018","90","","95.492","0.005","90","","6850.5","1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H126 Cl2 P2 Pt -","- C66 H126 Cl2 P2 Pt -","- C264 H504 Cl8 P8 Pt4 -","4","1","","Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH<sub>2</sub>) <sub>m</sub>CH═CH<sub>2</sub>)<sub>3</sub> (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.","Journal of the American Chemical Society","2018","140","27","8463","8478","10.1021/jacs.8b02846","","","1.54178","CuKα","","0.0712","0.055","","","0.1128","0.126","","","","","","1.127","","","","has coordinates,has disorder","242280","2020-10-21","18:00:00",""
"4132284","13.1005","0.0001","13.3774","0.0002","15.5372","0.0002","77.946","0.001","79.853","0.001","82.14","0.001","2607.05","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H94 P2 Pt -","- C54 H94 P2 Pt -","- C108 H188 P4 Pt2 -","2","1","","Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH<sub>2</sub>) <sub>m</sub>CH═CH<sub>2</sub>)<sub>3</sub> (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.","Journal of the American Chemical Society","2018","140","27","8463","8478","10.1021/jacs.8b02846","","","0.71073","MoKα","","0.0319","0.0258","","","0.0592","0.0618","","","","","","1.024","","","","has coordinates","242281","2020-10-21","18:00:00",""
"4132285","14.0147","0.0019","18.709","0.003","20.052","0.003","80.503","0.001","87.995","0.001","85.644","0.001","5169.3","1.3","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H96 Cl2 P2 Pt -","- C48 H96 Cl2 P2 Pt -","- C192 H384 Cl8 P8 Pt4 -","4","2","","Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH<sub>2</sub>) <sub>m</sub>CH═CH<sub>2</sub>)<sub>3</sub> (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.","Journal of the American Chemical Society","2018","140","27","8463","8478","10.1021/jacs.8b02846","","","0.71073","MoKα","","0.0514","0.0452","","","0.1035","0.1076","","","","","","1.063","","","","has coordinates","242282","2020-10-21","18:00:00",""
"4132286","13.8635","0.0012","18.4284","0.0016","25.106","0.002","83.861","0.002","88.11","0.002","86.673","0.002","6364.3","0.9","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H120 Cl2 P2 Pt -","- C60 H120 Cl2 P2 Pt -","- C240 H480 Cl8 P8 Pt4 -","4","2","","Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH<sub>2</sub>) <sub>m</sub>CH═CH<sub>2</sub>)<sub>3</sub> (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.","Journal of the American Chemical Society","2018","140","27","8463","8478","10.1021/jacs.8b02846","","","0.71073","MoKα","","0.0671","0.0506","","","0.0966","0.1062","","","","","","1.175","","","","has coordinates","242283","2020-10-21","18:00:00",""
"4132287","23.4195","0.0013","6.1479","0.0004","21.5093","0.0012","90","","114.733","0.003","90","","2812.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N2 O3 S -","- C30 H32 N2 O3 S -","- C120 H128 N8 O12 S4 -","4","1","","Kou, Xuezhen; Shao, Qihang; Ye, Chenghao; Yang, Guoqiang; Zhang, Wanbin","Asymmetric Aza-Wacker-Type Cyclization of N-Ts Hydrazine-Tethered Tetrasubstituted Olefins: Synthesis of Pyrazolines Bearing One Quaternary or Two Vicinal Stereocenters.","Journal of the American Chemical Society","2018","140","24","7587","7597","10.1021/jacs.8b02865","","","1.54178","CuKα","","0.0571","0.0444","","","0.1326","0.1403","","","","","","1.028","","","","has coordinates","242284","2020-10-21","18:00:00",""
"4132288","7.826","0.001","10.51","0.002","14.886","0.004","73.77","0.019","78.172","0.015","69.098","0.015","1090.6","0.4","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N2 O2 S -","- C24 H26 N2 O2 S -","- C48 H52 N4 O4 S2 -","2","1","","Kou, Xuezhen; Shao, Qihang; Ye, Chenghao; Yang, Guoqiang; Zhang, Wanbin","Asymmetric Aza-Wacker-Type Cyclization of N-Ts Hydrazine-Tethered Tetrasubstituted Olefins: Synthesis of Pyrazolines Bearing One Quaternary or Two Vicinal Stereocenters.","Journal of the American Chemical Society","2018","140","24","7587","7597","10.1021/jacs.8b02865","","","0.71073","MoKα","","0.0918","0.0576","","","0.1302","0.1562","","","","","","1.037","","","","has coordinates","242285","2020-10-21","18:00:00",""
"4132289","34.1594","0.0008","8.4566","0.0002","15.1869","0.0003","90","","91.752","0.001","90","","4385.03","0.17","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H28 N2 O2 S -","- C23 H28 N2 O2 S -","- C184 H224 N16 O16 S8 -","8","2","","Kou, Xuezhen; Shao, Qihang; Ye, Chenghao; Yang, Guoqiang; Zhang, Wanbin","Asymmetric Aza-Wacker-Type Cyclization of N-Ts Hydrazine-Tethered Tetrasubstituted Olefins: Synthesis of Pyrazolines Bearing One Quaternary or Two Vicinal Stereocenters.","Journal of the American Chemical Society","2018","140","24","7587","7597","10.1021/jacs.8b02865","","","1.54178","CuKα","","0.0395","0.035","","","0.0935","0.097","","","","","","1.026","","","","has coordinates","242286","2020-10-21","18:00:00",""
"4132290","11.6237","0.0003","13.4549","0.0004","13.8736","0.0004","90","","104.221","0.001","90","","2103.28","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O3 S -","- C24 H24 N2 O3 S -","- C96 H96 N8 O12 S4 -","4","2","","Kou, Xuezhen; Shao, Qihang; Ye, Chenghao; Yang, Guoqiang; Zhang, Wanbin","Asymmetric Aza-Wacker-Type Cyclization of N-Ts Hydrazine-Tethered Tetrasubstituted Olefins: Synthesis of Pyrazolines Bearing One Quaternary or Two Vicinal Stereocenters.","Journal of the American Chemical Society","2018","140","24","7587","7597","10.1021/jacs.8b02865","","","1.54178","CuKα","","0.0443","0.0392","","","0.1147","0.1196","","","","","","0.95","","","","has coordinates","242287","2020-10-21","18:00:00",""
"4132291","11.557","0.004","12.498","0.004","14.777","0.004","90","","90","","90","","2134.4","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 O2 S -","- C24 H24 N2 O2 S -","- C96 H96 N8 O8 S4 -","4","1","","Kou, Xuezhen; Shao, Qihang; Ye, Chenghao; Yang, Guoqiang; Zhang, Wanbin","Asymmetric Aza-Wacker-Type Cyclization of N-Ts Hydrazine-Tethered Tetrasubstituted Olefins: Synthesis of Pyrazolines Bearing One Quaternary or Two Vicinal Stereocenters.","Journal of the American Chemical Society","2018","140","24","7587","7597","10.1021/jacs.8b02865","","","1.54178","CuKα","","0.0344","0.0321","","","0.0897","0.0914","","","","","","1.012","","","","has coordinates","242288","2020-10-21","18:00:00",""
"4132292","10.427","0.002","18.683","0.004","25.279","0.005","108.28","0.03","97.96","0.03","91.64","0.03","4617.4","1.9","125","2","125","2","","","","","","","","5","P -1","-P 1","2","Benzo-TTF-C4P, TCNQ","Benzo-TTF-calixpyrrole-TCNQ Charge-transfer complex","","- C84.97 H52.97 Cl2.91 N12 S16 -","- C84.97 H52.97 Cl2.91 N12 S16 -","- C169.94 H105.94 Cl5.82 N24 S32 -","2","1","","Park, Jung Su; Park, Jihye; Yang, Yun Jae; Tran, Trang Thu; Kim, In Su; Sessler, Jonathan L.","Disparate Downstream Reactions Mediated by an Ionically Controlled Supramolecular Tristate Switch.","Journal of the American Chemical Society","2018","140","24","7598","7604","10.1021/jacs.8b02867","","","0.71073","MoKα","","0.1738","0.0983","","","0.2056","0.2287","","","","","","1.225","","","","has coordinates","242289","2020-10-21","18:00:00",""
"4132293","11.342","0.002","11.983","0.002","15.853","0.003","103.65","0.03","104.69","0.03","93.17","0.03","2010.1","0.8","223","2","223","2","","","","","","","","3","P -1","-P 1","2","THA TCNQ radical anion","Tetrahexylammonium 2,2'-(cyclohexa-2,5-diene-1,4-diylidene)dimalononitrile","","- C36 H56 N5 -","- C36 H56 N5 -","- C72 H112 N10 -","2","1","","Park, Jung Su; Park, Jihye; Yang, Yun Jae; Tran, Trang Thu; Kim, In Su; Sessler, Jonathan L.","Disparate Downstream Reactions Mediated by an Ionically Controlled Supramolecular Tristate Switch.","Journal of the American Chemical Society","2018","140","24","7598","7604","10.1021/jacs.8b02867","","","0.71073","MoKα","","0.1747","0.1026","","","0.2485","0.2697","","","","","","1.323","","","","has coordinates","242290","2020-10-21","18:00:00",""
"4132294","13.319","0.008","38.199","0.02","14.505","0.008","90","","112.908","0.007","90","","6798","7","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzo-TTFC4P Chloride","Benzo-TTF-Calix[4]pyrrole radical cation Chloride salt","","- C61 H46 Cl3 N4 S16 -","- C61 H46 Cl3 N4 S16 -","- C244 H184 Cl12 N16 S64 -","4","1","","Park, Jung Su; Park, Jihye; Yang, Yun Jae; Tran, Trang Thu; Kim, In Su; Sessler, Jonathan L.","Disparate Downstream Reactions Mediated by an Ionically Controlled Supramolecular Tristate Switch.","Journal of the American Chemical Society","2018","140","24","7598","7604","10.1021/jacs.8b02867","","","0.71075","MoKα","","0.2458","0.189","","","0.3411","0.3721","","","","","","1.266","","","","has coordinates","242291","2020-10-21","18:00:00",""
"4132295","13.1526","0.0002","19.5199","0.0003","12.3721","0.0002","90","","90","","90","","3176.38","0.09","123","2","123","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C42 H18 F12 -","- C42 H18 F12 -","- C168 H72 F48 -","4","0.5","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0341","0.0339","","","0.0929","0.0931","","","","","","1.109","","","","has coordinates","242292","2020-10-21","18:00:00",""
"4132296","8.671","0.0004","8.9923","0.0004","9.2524","0.0003","93.693","0.003","100.002","0.003","106.443","0.004","676.46","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 F8 N4 O2 -","- C30 H26 F8 N4 O2 -","- C30 H26 F8 N4 O2 -","1","0.5","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","0.71073","MoKα","","0.0541","0.0397","","","","0.1385","","","","","","0.99","","","","has coordinates","242293","2020-10-21","18:00:00",""
"4132297","5.3834","0.0003","5.7482","0.0003","16.8992","0.0008","90","","97.711","0.002","90","","518.21","0.05","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 F4 N4 -","- C12 H6 F4 N4 -","- C24 H12 F8 N8 -","2","0.5","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0295","0.0294","","","0.0725","0.0726","","","","","","1.091","","","","has coordinates","242294","2020-10-21","18:00:00",""
"4132298","15.3843","0.001","93.285","0.007","53.37","0.004","90","","90","","90","","76593","10","100","2","100","2","","","","","","","","4","C c c m","-C 2 2c","66","","","","- C51 H12 F24 N6 -","- C51 H12 F24 N6 -","- C1632 H384 F768 N192 -","32","2","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.1842","0.1248","","","0.3158","0.3549","","","","","","1.087","","","","has coordinates","242295","2020-10-21","18:00:00",""
"4132299","19.161","0.0007","34.1885","0.0015","7.1304","0.0004","90","","110.374","0.003","90","","4378.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32.42 H16.73 F12 N9.39 O1.64 -","- C32.418 H16.732 F12 N9.388 O1.642 -","- C129.672 H66.928 F48 N37.552 O6.568 -","4","0.5","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0904","0.0745","","","0.2359","0.2558","","","","","","1.007","","","","has coordinates,has disorder","242296","2020-10-21","18:00:00",""
"4132300","7.5844","0.0001","15.3613","0.0003","37.013","0.0006","90","","90","","90","","4312.25","0.12","123","2","123","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C51 H27 F16 N9 O -","- C51 H27 F16 N9 O -","- C204 H108 F64 N36 O4 -","4","0.25","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0499","0.0494","","","0.1196","0.1197","","","","","","1.259","","","","has coordinates,has disorder","242298","2020-10-21","18:00:00",""
"4132301","9.57","0.0003","9.4056","0.0003","10.632","0.0003","90","","106.84","0.001","90","","915.96","0.05","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H12 N6 -","- C21 H12 N6 -","- C42 H24 N12 -","2","1","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0265","0.0265","","","0.0741","0.0741","","","","","","1.068","","","","has coordinates","242299","2020-10-21","18:00:00",""
"4132302","7.2212","0.0004","12.973","0.0006","8.0959","0.0004","90","","90.812","0.002","90","","758.35","0.07","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Cl2 F4 N6 -","- C14 H6 Cl2 F4 N6 -","- C28 H12 Cl4 F8 N12 -","2","0.5","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0311","0.0306","","","0.086","0.0866","","","","","","1.064","","","","has coordinates","242300","2020-10-21","18:00:00",""
"4132303","19.4179","0.0017","19.4179","0.0017","4.9668","0.0004","90","","90","","120","","1621.9","0.2","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C27.36 H7.44 F12 N12 O0.36 -","- C27.36 H7.44 F12 N12 O0.36 -","- C54.72 H14.88 F24 N24 O0.72 -","2","0.333333","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","0.40651","synchrotron","","0.0707","0.0492","","","0.1499","0.1635","","","","","","1.024","","","","has coordinates,has disorder","242301","2020-10-21","18:00:00",""
"4132304","16.393","0.0005","14.535","0.0005","6.4865","0.0002","90","","94.108","0.002","90","","1541.58","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H6 F8 N4 -","- C18 H6 F8 N4 -","- C72 H24 F32 N16 -","4","1","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0318","0.0274","","","0.0719","0.0764","","","","","","1.066","","","","has coordinates","242302","2020-10-21","18:00:00",""
"4132305","9.1114","0.0002","9.3977","0.0002","21.5596","0.0005","90","","90","","90","","1846.07","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O S -","- C21 H25 N O S -","- C84 H100 N4 O4 S4 -","4","1","","Picazo, Elias; Anthony, Sarah M.; Giroud, Maude; Simon, Adam; Miller, Margeaux A.; Houk, K. N.; Garg, Neil K.","Arynes and Cyclic Alkynes as Synthetic Building Blocks for Stereodefined Quaternary Centers.","Journal of the American Chemical Society","2018","140","24","7605","7610","10.1021/jacs.8b02875","","","1.54178","CuKα","","0.0228","0.0219","","","0.058","0.0582","","","","","","1.085","","","","has coordinates","242303","2020-10-21","18:00:00",""
"4132306","10.1113","0.0014","14.6016","0.0018","11.3834","0.001","90","","90","","90","","1680.7","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H16 Br Mn N4 O3 -","- C14 H16 Br Mn N4 O3 -","- C56 H64 Br4 Mn4 N16 O12 -","4","0.5","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.71073","MoKα","","0.0526","0.0353","","","0.0642","0.0706","","","","","","1.056","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132307","9.2015","0.0007","10.7157","0.0008","15.6589","0.0012","76.778","0.007","74.207","0.007","84.676","0.006","1445.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 Mn N7 O7 -","- C27 H30 Mn N7 O7 -","- C54 H60 Mn2 N14 O14 -","2","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","x-ray","0.71073","MoKα","","0.0722","0.0455","","","0.088","0.0971","","","","","","1.022","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132308","12.403","0.003","33.488","0.007","12.991","0.003","90","","96.43","0.03","90","","5362","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C53 H49.5 Mn2 N7.5 O10.5 -","- C49.5 H46.5 Mn2 N7.5 O10.5 -","- C198 H186 Mn8 N30 O42 -","4","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.7108","Synchrotron","","0.0888","0.0787","","","0.2085","0.2147","","","","","","1.074","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132309","12.422","0.003","33.152","0.007","13.004","0.003","90","","95.44","0.03","90","","5331","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C52 H48 Mn2 N7.5 O8.5 -","- C48.5 H44 Mn2 N7.5 O8.5 -","- C194 H176 Mn8 N30 O34 -","4","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.7108","Synchrotron","","0.0776","0.0678","","","0.184","0.1899","","","","","","1.083","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132310","12.3848","0.0017","33.886","0.005","12.8929","0.0012","90","","99.101","0.01","90","","5342.7","1.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H52 Br0.5 Mn2 N6 O11 -","- C39 H33 Br0.5 Mn2 N6 O8 -","- C156 H132 Br2 Mn8 N24 O32 -","4","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.7108","Synchrotron","","0.1541","0.077","","","0.1878","0.2169","","","","","","0.92","","","","has coordinates,has disorder","242304","2020-10-21","18:00:00",""
"4132311","12.461","0.003","33.626","0.007","13.016","0.003","90","","96.09","0.03","90","","5423","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C51.5 H45.5 Mn2 N7.5 O8.5 -","- C44.5 H37.5 Mn2 N7.5 O8.5 -","- C178 H150 Mn8 N30 O34 -","4","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.71073","Synchrotron","","0.0914","0.083","","","0.258","0.2682","","","","","","1.068","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132312","12.418","0.003","32.716","0.007","12.989","0.003","90","","94.42","0.03","90","","5261","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C49.5 H45 Mn2 N7.5 O7.5 -","- C39 H33 Mn2 N7.5 O7.5 -","- C156 H132 Mn8 N30 O30 -","4","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.7108","Synchrotron","","0.0831","0.0719","","","0.1936","0.2004","","","","","","1.027","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132313","13.9014","0.0013","11.8934","0.0012","20.261","0.002","90","","91.068","0.005","90","","3349.3","0.6","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","PG-211","","- C28.04 H47 B Cl1.02 Mo N6 O4.04 P -","- C28 H47 B Cl Mo N6 O4 P -","- C112 H188 B4 Cl4 Mo4 N24 O16 P4 -","4","1","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.0669","0.0525","","","0.131","0.1401","","","","","","1.092","","","","has coordinates,has disorder","242305","2020-10-21","18:00:00",""
"4132314","17.2762","0.0007","14.4377","0.0004","16.8995","0.0007","90","","114.912","0.003","90","","3823","0.3","123","","123","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","PG-164","","- C30 H56 B Mo N6 Na O7 P -","- C30 H56 B Mo N6 Na O7 P -","- C120 H224 B4 Mo4 N24 Na4 O28 P4 -","4","1","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.0912","0.0585","","","0.1322","0.1452","","","","","","1.026","","","","has coordinates,has disorder","242305","2020-10-21","18:00:00",""
"4132315","13.5487","0.0004","14.7499","0.0005","16.1417","0.0005","109.37","0.002","93.449","0.003","98.756","0.003","2986.48","0.17","123","","123","","","","","","","","","7","P -1","-P 1","2","","PG-180","","- C27 H39 B Mo N6 O2 P -","- C27 H39 B Mo N6 O2 P -","- C108 H156 B4 Mo4 N24 O8 P4 -","4","2","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.0811","0.0583","","","0.1513","0.1616","","","","","","0.996","","","","has coordinates","242305","2020-10-21","18:00:00",""
"4132316","11.9565","0.0016","25.378","0.004","16.08","0.002","90","","104.783","0.005","90","","4717.7","1.1","123","","123","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","PG-167.3","","- C79 H118 B4 Mo4 N24 O8 P2 Si2 -","- C79 H118 B4 Mo4 N24 O8 P2 Si2 -","- C158 H236 B8 Mo8 N48 O16 P4 Si4 -","2","0.5","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.0771","0.0563","","","0.1176","0.1321","","","","","","1.126","","","","has coordinates,has disorder","242305","2020-10-21","18:00:00",""
"4132317","13.5471","0.0004","14.2491","0.0004","16.299","0.0005","109.005","0.002","95.885","0.002","95.334","0.002","2932.26","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H38 B Mo N6 O2 P -","- C26 H38 B Mo N6 O2 P -","- C104 H152 B4 Mo4 N24 O8 P4 -","4","2","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.0344","0.026","","","0.0632","0.0651","","","","","","0.9932","","","","has coordinates","242305","2020-10-21","18:00:00",""
"4132318","18.5406","0.0005","24.8594","0.0006","19.5832","0.0005","90","","90","","90","","9026.1","0.4","123","2","123","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C70 H128 B2 K2 Mo2 N12 O22 Si -","- C70 H128 B2 K2 Mo2 N12 O22 Si -","- C280 H512 B8 K8 Mo8 N48 O88 Si4 -","4","0.5","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.0611","0.0296","","","0.0475","0.0515","","","","","","0.83","","","","has coordinates","242305","2020-10-21","18:00:00",""
"4132319","13.3366","0.0008","16.7705","0.0011","26.6283","0.0018","103.244","0.002","93.358","0.002","93.082","0.002","5773.5","0.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","P.G.-451","","- C100 H160 B2 Mo2 N12 O4 Si10 -","- C100 H160 B2 Mo2 N12 O4 Si10 -","- C200 H320 B4 Mo4 N24 O8 Si20 -","2","1","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.098","0.0491","","","0.0883","0.1019","","","","","","0.94","","","","has coordinates,has disorder","242305","2020-10-21","18:00:00",""
"4132320","10.6225","0.0006","5.2027","0.0003","17.6456","0.001","90","","104.888","0.006","90","","942.46","0.1","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H12 O -","- C12 H12 O -","- C48 H48 O4 -","4","2","","Iwasawa, Nobuharu; Watanabe, Shoya; Ario, Akane; Sogo, Hideyuki","Re(I)-Catalyzed Hydropropargylation of Silyl Enol Ethers Utilizing Dynamic Interconversion of Vinylidene-Alkenylmetal Intermediates via 1,5-Hydride Transfer.","Journal of the American Chemical Society","2018","140","25","7769","7772","10.1021/jacs.8b02903","","","0.71073","MoKα","","0.0786","0.0479","","","0.1235","0.1526","","","","","","1.096","","","","has coordinates","242306","2020-10-21","18:00:00",""
"4132321","23.4971","0.0007","23.4971","0.0007","10.1419","0.0004","90","","90","","120","","4849.3","0.3","123","2","123","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C13 H14 O -","- C13 H14 O -","- C234 H252 O18 -","18","1","","Iwasawa, Nobuharu; Watanabe, Shoya; Ario, Akane; Sogo, Hideyuki","Re(I)-Catalyzed Hydropropargylation of Silyl Enol Ethers Utilizing Dynamic Interconversion of Vinylidene-Alkenylmetal Intermediates via 1,5-Hydride Transfer.","Journal of the American Chemical Society","2018","140","25","7769","7772","10.1021/jacs.8b02903","","","0.71073","MoKα","","0.0542","0.0447","","","0.1012","0.1061","","","","","","1.057","","","","has coordinates","242307","2020-10-21","18:00:00",""
"4132322","8.5028","0.0004","12.2706","0.0005","15.7004","0.0008","72.017","0.004","79.272","0.004","85.399","0.004","1530.38","0.13","123","","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H48 O5 Si -","- C31 H48 O5 Si -","- C62 H96 O10 Si2 -","2","1","","Iwasawa, Nobuharu; Watanabe, Shoya; Ario, Akane; Sogo, Hideyuki","Re(I)-Catalyzed Hydropropargylation of Silyl Enol Ethers Utilizing Dynamic Interconversion of Vinylidene-Alkenylmetal Intermediates via 1,5-Hydride Transfer.","Journal of the American Chemical Society","2018","140","25","7769","7772","10.1021/jacs.8b02903","","","0.71073","MoKα","","0.1673","0.1034","","","0.2626","0.3077","","","","","","1.035","","","","has coordinates,has disorder","242308","2020-10-21","18:00:00",""
"4132323","14.502","0.004","16.495","0.004","24.257","0.006","90","","90","","90","","5803","3","123","","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H48 O5 Si -","- C28 H48 O5 Si -","- C224 H384 O40 Si8 -","8","1","","Iwasawa, Nobuharu; Watanabe, Shoya; Ario, Akane; Sogo, Hideyuki","Re(I)-Catalyzed Hydropropargylation of Silyl Enol Ethers Utilizing Dynamic Interconversion of Vinylidene-Alkenylmetal Intermediates via 1,5-Hydride Transfer.","Journal of the American Chemical Society","2018","140","25","7769","7772","10.1021/jacs.8b02903","","","0.71075","MoKα","","0.1187","0.0761","","","0.1818","0.2142","","","","","","1.061","","","","has coordinates,has disorder","242309","2020-10-21","18:00:00",""
"4132324","9.1557","0.0014","11.8598","0.0019","21.294","0.003","90","","90","","90","","2312.2","0.6","123","","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H40 O3 Si -","- C23 H40 O3 Si -","- C92 H160 O12 Si4 -","4","1","","Iwasawa, Nobuharu; Watanabe, Shoya; Ario, Akane; Sogo, Hideyuki","Re(I)-Catalyzed Hydropropargylation of Silyl Enol Ethers Utilizing Dynamic Interconversion of Vinylidene-Alkenylmetal Intermediates via 1,5-Hydride Transfer.","Journal of the American Chemical Society","2018","140","25","7769","7772","10.1021/jacs.8b02903","","","0.71075","MoKα","","0.0612","0.0526","","","0.1453","0.1591","","","","","","1.077","","","","has coordinates","242310","2020-10-21","18:00:00",""
"4132325","9.04574","0.00005","25.29692","0.00013","19.03833","0.00011","90","","103.191","0.0005","90","","4241.58","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Br2 N2 Ni -","- C50 H52 Br2 N2 Ni -","- C200 H208 Br8 N8 Ni4 -","4","1","","Vaccarello, David N.; O'Connor, Kyle S; Iacono, Pasquale; Rose, Jeffrey M.; Cherian, Anna E.; Coates, Geoffrey W.","Synthesis of Semicrystalline Polyolefin Materials: Precision Methyl Branching via Stereoretentive Chain Walking.","Journal of the American Chemical Society","2018","140","20","6208","6211","10.1021/jacs.8b02963","","x-ray","1.54184","CuKα","","0.0274","0.0254","","","0.0661","0.0671","","","","","","1.036","","","","has coordinates","242311","2020-10-21","18:00:00",""
"4132326","15.2905","0.0002","21.2936","0.0004","21.9394","0.0005","73.6996","0.0019","77.0624","0.0015","79.2781","0.0015","6623.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H45 F12 N9 P2 Ru -","- C54 H45 F12 N9 P2 Ru -","- C216 H180 F48 N36 P8 Ru4 -","4","2","","Keisar, Hodaya; de Ruiter, Graham; Velders, Aldrik H.; Milko, Petr; Gulino, Antonino; Evmenenko, Guennadi; Shimon, Linda J. W.; Diskin-Posner, Yael; Lahav, Michal; van der Boom, Milko E.","Sorting of Molecular Building Blocks from Solution to Surface.","Journal of the American Chemical Society","2018","140","26","8162","8171","10.1021/jacs.8b02968","","","1.54184","CuKα","","0.1057","0.0807","","","0.2256","0.2551","","","","","","1.024","","","","has coordinates,has disorder","242312","2020-10-21","18:00:00",""
"4132327","14.9604","0.0003","23.8784","0.0005","24.1527","0.0006","90","","104.537","0.002","90","","8351.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H72 F12 N9 Os P2 -","- C78 H72 F12 N9 Os P2 -","- C312 H288 F48 N36 Os4 P8 -","4","1","","Keisar, Hodaya; de Ruiter, Graham; Velders, Aldrik H.; Milko, Petr; Gulino, Antonino; Evmenenko, Guennadi; Shimon, Linda J. W.; Diskin-Posner, Yael; Lahav, Michal; van der Boom, Milko E.","Sorting of Molecular Building Blocks from Solution to Surface.","Journal of the American Chemical Society","2018","140","26","8162","8171","10.1021/jacs.8b02968","","","0.71073","MoKα","","0.0721","0.0533","","","0.1482","0.1561","","","","","","1.083","","","","has coordinates","242312","2020-10-21","18:00:00",""
"4132328","15.2657","0.0003","21.4783","0.0004","21.9227","0.0005","73.534","0.002","76.39","0.002","80.261","0.002","6659.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H45 F12 N9 Os P2 -","- C54 H45 F12 N9 Os P2 -","- C216 H180 F48 N36 Os4 P8 -","4","2","","Keisar, Hodaya; de Ruiter, Graham; Velders, Aldrik H.; Milko, Petr; Gulino, Antonino; Evmenenko, Guennadi; Shimon, Linda J. W.; Diskin-Posner, Yael; Lahav, Michal; van der Boom, Milko E.","Sorting of Molecular Building Blocks from Solution to Surface.","Journal of the American Chemical Society","2018","140","26","8162","8171","10.1021/jacs.8b02968","","","1.54184","CuKα","","0.0895","0.062","","","0.1663","0.1836","","","","","","0.994","","","","has coordinates,has disorder","242312","2020-10-21","18:00:00",""
"4132329","10.718","0.005","11.09","0.005","11.966","0.005","109.125","0.005","106.64","0.005","108.575","0.005","1146.2","0.9","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C50 H34 N6 O Zn -","- C50 H34 N6 O Zn -","- C50 H34 N6 O Zn -","1","1","","Bhunia, Sarmistha; Rana, Atanu; Roy, Pronay; Martin, Daniel J.; Pegis, Michael L.; Roy, Bijan; Dey, Abhishek","Rational Design of Mononuclear Iron Porphyrins for Facile and Selective 4e<sup>-</sup>/4H<sup>+</sup> O<sub>2</sub> Reduction: Activation of O-O Bond by 2nd Sphere Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","30","9444","9457","10.1021/jacs.8b02983","","","0.71073","MoKα","","0.1991","0.0728","","","0.1669","0.2043","","","","","","0.79","","","","has coordinates","242313","2020-10-21","18:00:00",""
"4132330","18.382","0.017","11.34","0.01","23.79","0.02","90","","111.405","0.012","90","","4617","7","120","2","120","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C108 H68 Fe2 N12 O6 -","- C108 H68 Fe2 N12 O6 -","- C216 H136 Fe4 N24 O12 -","2","0.5","","Bhunia, Sarmistha; Rana, Atanu; Roy, Pronay; Martin, Daniel J.; Pegis, Michael L.; Roy, Bijan; Dey, Abhishek","Rational Design of Mononuclear Iron Porphyrins for Facile and Selective 4e<sup>-</sup>/4H<sup>+</sup> O<sub>2</sub> Reduction: Activation of O-O Bond by 2nd Sphere Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","30","9444","9457","10.1021/jacs.8b02983","","","0.71073","MoKα","","0.382","0.0724","","","0.1735","0.2829","","","","","","0.734","","","","has coordinates","242314","2020-10-21","18:00:00",""
"4132331","17.481","0.006","13.53","0.005","21.851","0.008","90","","93.37","0.007","90","","5159","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C64 H53 N5 O2 Zn -","- C64 H53 N5 O2 Zn -","- C256 H212 N20 O8 Zn4 -","4","1","","Bhunia, Sarmistha; Rana, Atanu; Roy, Pronay; Martin, Daniel J.; Pegis, Michael L.; Roy, Bijan; Dey, Abhishek","Rational Design of Mononuclear Iron Porphyrins for Facile and Selective 4e<sup>-</sup>/4H<sup>+</sup> O<sub>2</sub> Reduction: Activation of O-O Bond by 2nd Sphere Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","30","9444","9457","10.1021/jacs.8b02983","","","0.71073","MoKα","","0.1585","0.0803","","","0.1303","0.1541","","","","","","1.044","","","","has coordinates","242315","2020-10-21","18:00:00",""
"4132332","5.5573","0.0016","3.221","0.0011","6.278","0.002","90","","90","","90","","112.38","0.06","293","","293","","","","","","","","","2","P 21/n 1 1","-P 2xn","14","","","","- Ir Si -","- Ir Si -","- Ir4 Si4 -","4","1","","Mitchell Warden, Hillary E.; Fredrickson, Daniel C.","Frustrated and Allowed Structural Transitions: The Theory-Guided Discovery of the Modulated Structure of IrSi.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10473","","x-ray","0.71075","MoKα","","0.0633","0.0331","","","0.0663","0.0838","","","","1.23","1.23","1.04","","","","has coordinates","242316","2020-10-21","18:00:00",""
"4132333","24.997","0.002","5.1956","0.0005","18.1896","0.0017","90","","104.221","0.003","90","","2290","0.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C10 H19 Br O2 -","- C10 H19 Br O2 -","- C80 H152 Br8 O16 -","8","2","","Goh, Shermin S.; Guduguntla, Sureshbabu; Kikuchi, Takashi; Lutz, Martin; Otten, Edwin; Fujita, Makoto; Feringa, Ben L.","Desymmetrization of meso-Dibromocycloalkenes through Copper(I)-Catalyzed Asymmetric Allylic Substitution with Organolithium Reagents.","Journal of the American Chemical Society","2018","140","23","7052","7055","10.1021/jacs.8b02992","","","1.54184","CuKα","","0.0507","0.0484","","","0.1317","0.1332","","","","","","1.022","","","","has coordinates,has disorder","242317","2020-10-21","18:00:00",""
"4132334","10.6696","0.001","16.3169","0.0016","16.1767","0.0015","90","","92.512","0.009","90","","2813.6","0.5","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H48 Ir Ta -","- C25 H48 Ir Ta -","- C100 H192 Ir4 Ta4 -","4","1","","Lassalle, Sébastien; Jabbour, Ribal; Schiltz, Pauline; Berruyer, Pierrick; Todorova, Tanya K.; Veyre, Laurent; Gajan, David; Lesage, Anne; Thieuleux, Chloé; Camp, Clément","Metal-Metal Synergy in Well-Defined Surface Tantalum-Iridium Heterobimetallic Catalysts for H/D Exchange Reactions.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08311","","x-ray","0.71073","MoKα","","0.0741","0.0513","","0.1541","0.1098","0.1541","","","","","","0.9892","","","","has coordinates,has disorder","242318","2020-10-21","18:00:00",""
"4132335","13.6584","0.0011","5.684","0.0005","16.1484","0.0014","90","","109.058","0.006","90","","1184.95","0.18","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C13 H17 Br O2 -","- C13 H17 Br O2 -","- C52 H68 Br4 O8 -","4","1","","Goh, Shermin S.; Guduguntla, Sureshbabu; Kikuchi, Takashi; Lutz, Martin; Otten, Edwin; Fujita, Makoto; Feringa, Ben L.","Desymmetrization of meso-Dibromocycloalkenes through Copper(I)-Catalyzed Asymmetric Allylic Substitution with Organolithium Reagents.","Journal of the American Chemical Society","2018","140","23","7052","7055","10.1021/jacs.8b02992","","","0.71073","MoKα","","0.0193","0.0184","","","0.0476","0.048","","","","","","1.099","","","","has coordinates","242319","2020-10-21","18:00:00",""
"4132336","9.8249","0.0008","11.9731","0.0009","21.961","0.0011","94.585","0.005","95.53","0.006","105.728","0.007","2459.9","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C78 H158 Ir2 O16 Si4 Ta2 -","- C78 H158 Ir2 O16 Si4 Ta2 -","- C78 H158 Ir2 O16 Si4 Ta2 -","1","0.5","","Lassalle, Sébastien; Jabbour, Ribal; Schiltz, Pauline; Berruyer, Pierrick; Todorova, Tanya K.; Veyre, Laurent; Gajan, David; Lesage, Anne; Thieuleux, Chloé; Camp, Clément","Metal-Metal Synergy in Well-Defined Surface Tantalum-Iridium Heterobimetallic Catalysts for H/D Exchange Reactions.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08311","","x-ray","0.71073","MoKα","","0.0947","0.0728","","0.1864","0.1659","0.1864","","","","","","1.0312","","","","has coordinates","242320","2020-10-21","18:00:00",""
"4132337","11.3629","0.0002","18.5429","0.0004","18.9187","0.0003","63.368","0.002","83.67","0.001","85.932","0.001","3540.51","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 Ir O Ta -","- C38 H50 Ir O Ta -","- C152 H200 Ir4 O4 Ta4 -","4","2","","Lassalle, Sébastien; Jabbour, Ribal; Schiltz, Pauline; Berruyer, Pierrick; Todorova, Tanya K.; Veyre, Laurent; Gajan, David; Lesage, Anne; Thieuleux, Chloé; Camp, Clément","Metal-Metal Synergy in Well-Defined Surface Tantalum-Iridium Heterobimetallic Catalysts for H/D Exchange Reactions.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08311","","x-ray","0.71073","MoKα","","0.0615","0.0379","","","0.0708","0.0808","","","","","","1.103","","","","has coordinates","242321","2020-10-21","18:00:00",""
"4132338","19.9556","0.0011","22.8307","0.0014","21.9438","0.0012","90","","91.054","0.002","90","","9995.9","1","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C53 H38 N2 O8 S2 Zn2 -","- C53 H38 N2 O8 S2 Zn2 -","- C318 H228 N12 O48 S12 Zn12 -","6","1.5","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.079","0.042","","","0.0852","0.0944","","","","","","1.021","","","","has coordinates","242322","2020-10-21","18:00:00",""
"4132339","14.4502","0.001","18.8905","0.0009","15.8769","0.0009","90","","94.102","0.005","90","","4322.8","0.4","150.01","0.1","150.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H76 Ir2 Ta2 -","- C40 H76 Ir2 Ta2 -","- C160 H304 Ir8 Ta8 -","4","0.5","","Lassalle, Sébastien; Jabbour, Ribal; Schiltz, Pauline; Berruyer, Pierrick; Todorova, Tanya K.; Veyre, Laurent; Gajan, David; Lesage, Anne; Thieuleux, Chloé; Camp, Clément","Metal-Metal Synergy in Well-Defined Surface Tantalum-Iridium Heterobimetallic Catalysts for H/D Exchange Reactions.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08311","","x-ray","0.71073","MoKα","","0.0474","0.0401","","0.0986","0.0878","0.0986","","","","","","1.0174","","","","has coordinates","242323","2020-10-21","18:00:00",""
"4132340","11.291","0.004","15.799","0.005","18.292","0.006","90","","90","","90","","3263","1.9","220","2","220","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- C63 H40 Br2 N4 O11 Zn2 -","- C50 H24 Br2 N2 O8 Zn2 -","- C50 H24 Br2 N2 O8 Zn2 -","1","0.125","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.0829","0.0571","","","0.1431","0.1544","","","","","","1.027","","","","has coordinates","242324","2020-10-21","18:00:00",""
"4132341","10.115","0.0001","34.973","0.0004","11.6068","0.0001","90","","102.955","0.001","90","","4001.42","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45.5 H59.5 B N3 O2 -","- C45.5 H59.5 B N3 O2 -","- C182 H238 B4 N12 O8 -","4","1","","Wijaya, Andrew W.; Nguyen, Andy I.; Roe, Leah T.; Butterfoss, Glenn L.; Spencer, Ryan K.; Li, Nan K.; Zuckermann, Ronald N.","Cooperative Intramolecular Hydrogen Bonding Strongly Enforces cis-Peptoid Folding","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10497","","","1.54184","CuKα","","0.0512","0.0492","","","0.1162","0.1174","","","","","","1.085","","","","has coordinates","242325","2020-10-21","18:00:00",""
"4132342","8.9034","0.0003","10.004","0.0004","15.0137","0.0006","92.406","0.001","105.717","0.001","113.904","0.001","1159.22","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H24 N4 O3 -","- C29 H24 N4 O3 -","- C58 H48 N8 O6 -","2","1","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.0688","0.043","","","0.0894","0.0991","","","","","","1.005","","","","has coordinates","242326","2020-10-21","18:00:00",""
"4132343","11.65875","0.00004","27.05947","0.0001","23.62363","0.00009","90","","91.6951","0.0003","90","","7449.51","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H56 B N3 O2 -","- C42 H56 B N3 O2 -","- C336 H448 B8 N24 O16 -","8","4","","Wijaya, Andrew W.; Nguyen, Andy I.; Roe, Leah T.; Butterfoss, Glenn L.; Spencer, Ryan K.; Li, Nan K.; Zuckermann, Ronald N.","Cooperative Intramolecular Hydrogen Bonding Strongly Enforces cis-Peptoid Folding","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10497","","","1.54184","CuKα","","0.0379","0.0373","","","0.0975","0.0979","","","","","","1.039","","","","has coordinates","242327","2020-10-21","18:00:00",""
"4132344","12.9265","0.0008","27.1065","0.0017","11.5966","0.0006","90","","105.835","0.002","90","","3909.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Br2 N4 O6 -","- C38 H32 Br2 N4 O6 -","- C152 H128 Br8 N16 O24 -","4","1","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.0538","0.0432","","","0.1072","0.1123","","","","","","1.032","","","","has coordinates","242328","2020-10-21","18:00:00",""
"4132345","23.4964","0.0002","19.2489","0.0002","16.7212","0.0001","90","","93.761","0.001","90","","7546.37","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42.5 H54 B N3 O2 -","- C42.5 H54 B N3 O2 -","- C340 H432 B8 N24 O16 -","8","2","","Wijaya, Andrew W.; Nguyen, Andy I.; Roe, Leah T.; Butterfoss, Glenn L.; Spencer, Ryan K.; Li, Nan K.; Zuckermann, Ronald N.","Cooperative Intramolecular Hydrogen Bonding Strongly Enforces cis-Peptoid Folding","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10497","","","1.54184","CuKα","","0.0465","0.0397","","","0.1015","0.1052","","","","","","1.071","","","","has coordinates","242329","2020-10-21","18:00:00",""
"4132346","11.149","0.002","15.869","0.003","22.608","0.005","90","","90","","90","","3999.9","1.4","220","2","220","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- C82 H56 Br2 N6 O14 Zn2 -","- C14 H6 Br0.5 N0.5 O2 Zn0.5 -","- C56 H24 Br2 N2 O8 Zn2 -","4","0.5","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.1089","0.0697","","","0.1934","0.2279","","","","","","1.039","","","","has coordinates","242330","2020-10-21","18:00:00",""
"4132347","9.1066","0.0004","10.0998","0.0004","18.5656","0.0006","83.294","0.003","77.888","0.003","63.691","0.003","1496.07","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Br N2 Ni -","- C17 H15 Br N2 Ni -","- C68 H60 Br4 N8 Ni4 -","4","2","","Mills, Leo Reginald; Graham, Joshua; Patel, Purvish; Rousseaux, Sophie A. L.","Ni-Catalyzed Reductive Cyanation of Aryl Halides and Phenol Derivatives via Transnitrilation.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11208","","","1.54178","CuKα","","0.1058","0.0715","","","0.1537","0.1762","","","","","","1.034","","","","has coordinates","242331","2020-10-21","18:00:00",""
"4132348","9.3937","0.0003","33.5488","0.0013","11.4358","0.0004","90","","92.795","0.001","90","","3599.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Br2 N2 O3 -","- C19 H16 Br2 N2 O3 -","- C152 H128 Br16 N16 O24 -","8","2","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.0681","0.0553","","","0.1117","0.1149","","","","","","1.329","","","","has coordinates,has disorder","242332","2020-10-21","18:00:00",""
"4132349","15.7656","0.001","22.972","0.0015","23.9458","0.0015","90","","94.083","0.002","90","","8650.4","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 N6 O7 -","- C50 H44 N6 O7 -","- C400 H352 N48 O56 -","8","2","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.1114","0.0813","","","0.2115","0.2322","","","","","","1.058","","","","has coordinates","242333","2020-10-21","18:00:00",""
"4132350","17.2113","0.0008","9.6042","0.0004","25.5421","0.0012","90","","109.466","0.002","90","","3980.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 N6 O6 -","- C48 H40 N6 O6 -","- C192 H160 N24 O24 -","4","1","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.0634","0.0451","","","0.0952","0.103","","","","","","1.051","","","","has coordinates","242334","2020-10-21","18:00:00",""
"4132351","9.4235","0.0012","20.518","0.003","18.322","0.002","90","","99.732","0.005","90","","3491.6","0.8","273","","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","2","","Xu, Lun; Wang, Chao; Gao, Ziwei; Zhao, Yu-Ming","Total Synthesis of (±)-Cephanolides B and C via a Palladium-Catalyzed Cascade Cyclization and Late-Stage sp<sup>3</sup> C-H Bond Oxidation.","Journal of the American Chemical Society","2018","140","16","5653","5658","10.1021/jacs.8b03015","","","1.54178","CuKα","","0.0681","0.0644","","","0.1927","0.1971","","","","","","1.082","","","","has coordinates","242335","2020-10-21","18:00:00",""
"4132352","9.4065","0.001","14.5426","0.0016","11.1202","0.0012","90","","91.584","0.003","90","","1520.6","0.3","162","","162.9","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","1","","Xu, Lun; Wang, Chao; Gao, Ziwei; Zhao, Yu-Ming","Total Synthesis of (±)-Cephanolides B and C via a Palladium-Catalyzed Cascade Cyclization and Late-Stage sp<sup>3</sup> C-H Bond Oxidation.","Journal of the American Chemical Society","2018","140","16","5653","5658","10.1021/jacs.8b03015","","","1.54178","CuKα","","0.0375","0.0369","","","0.0905","0.091","","","","","","1.053","","","","has coordinates","242336","2020-10-21","18:00:00",""
"4132353","7.5257","0.001","13.677","0.0017","17.867","0.002","90","","90","","90","","1839","0.4","153","","153.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 I O3 -","- C19 H25 I O3 -","- C76 H100 I4 O12 -","4","1","","Xu, Lun; Wang, Chao; Gao, Ziwei; Zhao, Yu-Ming","Total Synthesis of (±)-Cephanolides B and C via a Palladium-Catalyzed Cascade Cyclization and Late-Stage sp<sup>3</sup> C-H Bond Oxidation.","Journal of the American Chemical Society","2018","140","16","5653","5658","10.1021/jacs.8b03015","","","1.54178","CuKα","","0.0589","0.0587","","","0.1518","0.1522","","","","","","1.076","","","","has coordinates","242337","2020-10-21","18:00:00",""
"4132354","7.5021","0.0005","18.2651","0.0011","10.4008","0.0006","90","","99.019","0.002","90","","1407.57","0.15","153","","153","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","","Xu, Lun; Wang, Chao; Gao, Ziwei; Zhao, Yu-Ming","Total Synthesis of (±)-Cephanolides B and C via a Palladium-Catalyzed Cascade Cyclization and Late-Stage sp<sup>3</sup> C-H Bond Oxidation.","Journal of the American Chemical Society","2018","140","16","5653","5658","10.1021/jacs.8b03015","","","1.54178","CuKα","","0.0452","0.0421","","","0.1117","0.1139","","","","","","1.075","","","","has coordinates","242338","2020-10-21","18:00:00",""
"4132355","14.5021","0.0003","7.1154","0.0001","16.3667","0.0003","90","","115.269","0.001","90","","1527.25","0.05","273","","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Xu, Lun; Wang, Chao; Gao, Ziwei; Zhao, Yu-Ming","Total Synthesis of (±)-Cephanolides B and C via a Palladium-Catalyzed Cascade Cyclization and Late-Stage sp<sup>3</sup> C-H Bond Oxidation.","Journal of the American Chemical Society","2018","140","16","5653","5658","10.1021/jacs.8b03015","","","1.54178","CuKα","","0.0385","0.037","","","0.1028","0.1042","","","","","","1.067","","","","has coordinates","242339","2020-10-21","18:00:00",""
"4132356","10.43","0.003","11.159","0.003","13.768","0.004","93.224","0.003","99.919","0.004","93.288","0.005","1572.3","0.8","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 N5 O4 Rh -","- C72 H84 N5 O4 Rh -","- C72 H84 N5 O4 Rh -","1","0.5","","Zhang, Jiajing; Zhang, Wentao; Xu, Minghui; Zhang, Yang; Fu, Xuefeng; Fang, Huayi","Production of Formamides from CO and Amines Induced by Porphyrin Rhodium(II) Metalloradical.","Journal of the American Chemical Society","2018","140","21","6656","6660","10.1021/jacs.8b03029","","","0.71073","MoKα","","0.0513","0.0504","","","0.1556","0.1564","","","","","","1.31","","","","has coordinates,has disorder","242340","2020-10-21","18:00:00",""
"4132357","9.813","0.002","11.262","0.002","11.59","0.002","62.96","0.03","75.66","0.03","68.08","0.03","1053.6","0.5","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H44 N5 O2 Rh -","- C52 H44 N5 O2 Rh -","- C52 H44 N5 O2 Rh -","1","0.5","","Zhang, Jiajing; Zhang, Wentao; Xu, Minghui; Zhang, Yang; Fu, Xuefeng; Fang, Huayi","Production of Formamides from CO and Amines Induced by Porphyrin Rhodium(II) Metalloradical.","Journal of the American Chemical Society","2018","140","21","6656","6660","10.1021/jacs.8b03029","","","0.71073","MoKα","","0.0416","0.0412","","","0.0943","0.0946","","","","","","1.146","","","","has coordinates,has disorder","242341","2020-10-21","18:00:00",""
"4132358","26.6512","0.0014","26.6512","0.0014","7.0521","0.0005","90","","90","","90","","5009","0.5","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C62 H44 N4 -","- C62 H44 N4 -","- C248 H176 N16 -","4","0.25","","di Gregorio, Maria Chiara; Ranjan, Priyadarshi; Houben, Lothar; Shimon, Linda J. W.; Rechav, Katya; Lahav, Michal; van der Boom, Milko E.","Metal-Coordination-Induced Fusion Creates Hollow Crystalline Molecular Superstructures.","Journal of the American Chemical Society","2018","140","29","9132","9139","10.1021/jacs.8b03055","","","0.71073","MoKα","","0.0984","0.0691","","","0.168","0.1869","","","","","","1.125","","","","has coordinates","242342","2020-10-21","18:00:00",""
"4132359","8.7786","0.0008","8.2454","0.0007","10.7228","0.0009","90","","110.205","0.004","90","","728.39","0.11","100","2","99.95","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 Br O4 -","- C15 H15 Br O4 -","- C30 H30 Br2 O8 -","2","1","","Lee, Ansoo; Betori, Rick C.; Crane, Erika A.; Scheidt, Karl A.","An Enantioselective Cross-Dehydrogenative Coupling Catalysis Approach to Substituted Tetrahydropyrans.","Journal of the American Chemical Society","2018","140","20","6212","6216","10.1021/jacs.8b03063","","","0.71073","MoKα","","0.0341","0.0268","","","0.0635","0.0662","","","","","","1.037","","","","has coordinates","242343","2020-10-21","18:00:00",""
"4132360","10.8385","0.0014","18.879","0.003","13.905","0.002","90","","91.968","0.003","90","","2843.6","0.7","100","2","100.1","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H45 F24 N8 P4 S2 -","- C53 H45 F24 N8 P4 S2 -","- C106 H90 F48 N16 P8 S4 -","2","1","","Roy, Indranil; Bobbala, Sharan; Zhou, Jiawang; Nguyen, Minh T.; Nalluri, Siva Krishna Mohan; Wu, Yilei; Ferris, Daniel P.; Scott, Evan Alexander; Wasielewski, Michael R.; Stoddart, J. Fraser","ExTzBox: A Glowing Cyclophane for Live-Cell Imaging.","Journal of the American Chemical Society","2018","140","23","7206","7212","10.1021/jacs.8b03066","","","0.71073","MoKα","","0.1114","0.0892","","","0.2169","0.2429","","","","","","1.075","","","","has coordinates,has disorder","242344","2020-10-21","18:00:00",""
"4132361","9.881","0.011","9.166","0.01","11.04","0.012","90","","110.96","0.02","90","","933.7","1.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H25 N5 O7 S -","- C16 H25 N5 O7 S -","- C32 H50 N10 O14 S2 -","2","1","","Mailyan, Artur K.; Chen, Joanna L.; Li, Weiwei; Keller, Arturo A.; Sternisha, Shawn M.; Miller, Brian G.; Zakarian, Armen","Short Total Synthesis of [<sup>15</sup>N<sub>5</sub>]-Cylindrospermopsins from <sup>15</sup>NH<sub>4</sub>Cl Enables Precise Quantification of Freshwater Cyanobacterial Contamination.","Journal of the American Chemical Society","2018","140","18","6027","6032","10.1021/jacs.8b03071","","","0.71073","MoKα","","0.1197","0.0711","","","0.1595","0.1808","","","","","","1.038","","","","has coordinates","242345","2020-10-21","18:00:00",""
"4132362","12.9375","0.0002","9.6105","0.0002","10.1863","0.0002","90","","97.313","0.001","90","","1256.22","0.04","170","2","170.01","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 F4 -","- C14 H16 F4 -","- C56 H64 F16 -","4","1","","Liu, Zhonglin; Chen, He; Lv, Ying; Tan, Xinqiang; Shen, Haigen; Yu, Hai-Zhu; Li, Chaozhong","Radical Carbofluorination of Unactivated Alkenes with Fluoride Ions.","Journal of the American Chemical Society","2018","140","19","6169","6175","10.1021/jacs.8b03077","","","1.34139","GaKα","","0.0447","0.0407","","","0.1053","0.1089","","","","","","1.062","","","","has coordinates","242346","2020-10-21","18:00:00",""
"4132363","8.509","0.004","15.545","0.007","13.953","0.007","90","","103.973","0.009","90","","1791","1.5","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cu F2 N2 O6 -","- C16 H20 Cu F2 N2 O6 -","- C64 H80 Cu4 F8 N8 O24 -","4","1","","Liu, Zhonglin; Chen, He; Lv, Ying; Tan, Xinqiang; Shen, Haigen; Yu, Hai-Zhu; Li, Chaozhong","Radical Carbofluorination of Unactivated Alkenes with Fluoride Ions.","Journal of the American Chemical Society","2018","140","19","6169","6175","10.1021/jacs.8b03077","","","0.71073","MoKα","","0.0939","0.0444","","","0.0926","0.1087","","","","","","1.001","","","","has coordinates","242347","2020-10-21","18:00:00",""
"4132364","10.3318","0.0009","10.4224","0.0009","13.6723","0.0012","78.6657","0.0011","75.4327","0.001","75.5399","0.0011","1365.7","0.2","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H31 Br O7 -","- C31 H31 Br O7 -","- C62 H62 Br2 O14 -","2","1","","Holmbo, Stephen D.; Pronin, Sergey V.","A Concise Approach to Anthraquinone-Xanthone Heterodimers.","Journal of the American Chemical Society","2018","140","15","5065","5068","10.1021/jacs.8b03110","","","0.71073","MoKα","","0.0361","0.0319","","","0.084","0.0864","","","","","","1.045","","","","has coordinates","242348","2020-10-21","18:00:00",""
"4132365","9.5667","0.0013","9.7395","0.0011","23.46","0.003","90","","90","","90","","2185.9","0.5","99","2","99.51","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 F6 O2 -","- C24 H23 F6 O2 -","- C96 H92 F24 O8 -","4","1","","Basnet, Prakash; Dhungana, Roshan K.; Thapa, Surendra; Shrestha, Bijay; Kc, Shekhar; Sears, Jeremiah M.; Giri, Ramesh","Ni-Catalyzed Regioselective β,δ-Diarylation of Unactivated Olefins in Ketimines via Ligand-Enabled Contraction of Transient Nickellacycles: Rapid Access to Remotely Diarylated Ketones.","Journal of the American Chemical Society","2018","140","25","7782","7786","10.1021/jacs.8b03163","","","0.71073","MoKα","","0.2225","0.0892","","","0.1357","0.1751","","","","","","0.977","","","","has coordinates","242349","2020-10-21","18:00:00",""
"4132366","10.0521","0.0004","12.6929","0.0008","15.0985","0.0008","90","","90","","90","","1926.42","0.18","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O3 S -","- C24 H18 O3 S -","- C96 H72 O12 S4 -","4","1","","Jia, Shiqi; Chen, Zhili; Zhang, Nan; Tan, Yu; Liu, Yidong; Deng, Jun; Yan, Hailong","Organocatalytic Enantioselective Construction of Axially Chiral Sulfone-Containing Styrenes.","Journal of the American Chemical Society","2018","140","23","7056","7060","10.1021/jacs.8b03211","","","0.71073","MoKα","","0.0546","0.0411","","","0.081","0.0899","","","","","","1.032","","","","has coordinates","242350","2020-10-21","18:00:00",""
"4132367","10.3789","0.0002","8.0553","0.0002","29.9399","0.0007","90","","90","","90","","2503.13","0.1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C128 H128 O16 -","8","1","","James, Michael J.; Schwarz, Jonas Luca; Strieth-Kalthoff, Felix; Wibbeling, Birgit; Glorius, Frank","Dearomative Cascade Photocatalysis: Divergent Synthesis through Catalyst Selective Energy Transfer.","Journal of the American Chemical Society","2018","140","28","8624","8628","10.1021/jacs.8b03302","","","0.71073","MoKα","","0.0543","0.045","","","0.1063","0.1132","","","","","","1.057","","","","has coordinates","242351","2020-10-21","18:00:00",""
"4132368","10.1733","0.0002","9.2676","0.0002","26.9341","0.0008","90","","90","","90","","2539.4","0.11","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C128 H128 O16 -","8","1","","James, Michael J.; Schwarz, Jonas Luca; Strieth-Kalthoff, Felix; Wibbeling, Birgit; Glorius, Frank","Dearomative Cascade Photocatalysis: Divergent Synthesis through Catalyst Selective Energy Transfer.","Journal of the American Chemical Society","2018","140","28","8624","8628","10.1021/jacs.8b03302","","","0.71073","MoKα","","0.0621","0.0463","","","0.1053","0.1151","","","","","","1.031","","","","has coordinates","242351","2020-10-21","18:00:00",""
"4132369","9.8903","0.0007","4.6929","0.0003","11.8569","0.0009","90","","96.707","0.003","90","","546.56","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 O2 -","- C10 H12 N4 O2 -","- C20 H24 N8 O4 -","2","0.5","","Liu, Guofeng; Sheng, Jianhui; Wu, Hongwei; Yang, Chaolong; Yang, Guangbao; Li, Yongxin; Ganguly, Rakesh; Zhu, Liangliang; Zhao, Yanli","Controlling Supramolecular Chirality of Two-Component Hydrogels by J- and H-Aggregation of Building Blocks.","Journal of the American Chemical Society","2018","140","20","6467","6473","10.1021/jacs.8b03309","","","0.71073","MoKα","","0.0882","0.0556","","","0.1102","0.1254","","","","","","1.023","","","","has coordinates","242352","2020-10-21","18:00:00",""
"4132370","6.51","0.0003","8.6267","0.0003","17.3423","0.0007","90","","90","","90","","973.94","0.07","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C10 H8 N2 S2 -","- C10 H8 N2 S2 -","- C40 H32 N8 S8 -","4","0.5","","Liu, Guofeng; Sheng, Jianhui; Wu, Hongwei; Yang, Chaolong; Yang, Guangbao; Li, Yongxin; Ganguly, Rakesh; Zhu, Liangliang; Zhao, Yanli","Controlling Supramolecular Chirality of Two-Component Hydrogels by J- and H-Aggregation of Building Blocks.","Journal of the American Chemical Society","2018","140","20","6467","6473","10.1021/jacs.8b03309","","","0.71073","MoKα","","0.0498","0.0377","","","0.0692","0.0754","","","","","","1.048","","","","has coordinates","242353","2020-10-21","18:00:00",""
"4132371","18.85077","0.00014","15.97613","0.0001","38.4073","0.0003","90","","95.6287","0.0006","90","","11511.1","0.14","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C110 H162 Cl8 N2 O24 -","- C110 H162 Cl8 N2 O24 -","- C440 H648 Cl32 N8 O96 -","4","1","","Fielden, Stephen D. P.; Leigh, David A.; McTernan, Charlie T.; Pérez-Saavedra, Borja; Vitorica-Yrezabal, Iñigo J","Spontaneous Assembly of Rotaxanes from a Primary Amine, Crown Ether and Electrophile.","Journal of the American Chemical Society","2018","140","19","6049","6052","10.1021/jacs.8b03394","","x-ray","0.6889","","","0.1369","0.1111","","","0.3306","0.3547","","","","","","1.334","","","","has coordinates,has disorder","242354","2020-10-21","18:00:00",""
"4132372","15.2276","0.00014","16.08441","0.00015","20.7588","0.0002","90","","106.576","0.001","90","","4873.11","0.08","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H84 Cl N O10 -","- C46 H84 Cl N O10 -","- C184 H336 Cl4 N4 O40 -","4","1","","Fielden, Stephen D. P.; Leigh, David A.; McTernan, Charlie T.; Pérez-Saavedra, Borja; Vitorica-Yrezabal, Iñigo J","Spontaneous Assembly of Rotaxanes from a Primary Amine, Crown Ether and Electrophile.","Journal of the American Chemical Society","2018","140","19","6049","6052","10.1021/jacs.8b03394","","x-ray","1.54184","CuKα","","0.0555","0.0545","","","0.1511","0.1521","","","","","","1.035","","","","has coordinates","242355","2020-10-21","18:00:00",""
"4132373","9.2197","0.0015","20.178","0.003","18.246","0.003","90","","103.57","0.002","90","","3299.6","0.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H52 B Cl Li2 O2 Si4 -","- C24 H52 B Cl Li2 O2 Si4 -","- C96 H208 B4 Cl4 Li8 O8 Si16 -","4","1","","Lee, Vladimir Ya; Sugasawa, Haruka; Gapurenko, Olga A.; Minyaev, Ruslan M.; Minkin, Vladimir I.; Gornitzka, Heinz; Sekiguchi, Akira","From Borapyramidane to Borole Dianion.","Journal of the American Chemical Society","2018","140","19","6053","6056","10.1021/jacs.8b03473","","","0.71073","MoKα","","0.0693","0.0509","","","0.1173","0.1259","","","","","","1.073","","","","has coordinates,has disorder","242356","2020-10-21","18:00:00",""
"4132374","11.9337","0.0007","17.0324","0.001","11.6249","0.0007","90","","90","","90","","2362.9","0.2","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H36 B Cl Si4 -","- C16 H36 B Cl Si4 -","- C64 H144 B4 Cl4 Si16 -","4","0.5","","Lee, Vladimir Ya; Sugasawa, Haruka; Gapurenko, Olga A.; Minyaev, Ruslan M.; Minkin, Vladimir I.; Gornitzka, Heinz; Sekiguchi, Akira","From Borapyramidane to Borole Dianion.","Journal of the American Chemical Society","2018","140","19","6053","6056","10.1021/jacs.8b03473","","","0.71073","MoKα","","0.025","0.0244","","","0.0693","0.0699","","","","","","1.01","","","","has coordinates","242357","2020-10-21","18:00:00",""
"4132375","10.4618","0.0005","6.6429","0.0003","12.8407","0.0006","90","","112.484","0.002","90","","824.55","0.07","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C40 H38 N2 O8 -","2","1","","Shen, Peng-Xiang; Hu, Liang; Shao, Qian; Hong, Kai; Yu, Jin-Quan","Pd(II)-Catalyzed Enantioselective C(sp<sup>3</sup>)-H Arylation of Free Carboxylic Acids.","Journal of the American Chemical Society","2018","140","21","6545","6549","10.1021/jacs.8b03509","","x-ray","1.54178","CuKα","","0.0367","0.0351","","","0.0893","0.0909","","","","","","1.076","","","","has coordinates","242358","2020-10-21","18:00:00",""
"4132376","8.7271","0.0016","13.977","0.003","16.68","0.003","92.757","0.005","98.833","0.005","91.076","0.005","2007.4","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N4 O4 -","- C22 H24 N4 O4 -","- C88 H96 N16 O16 -","4","2","","Wang, Chengpeng; Dong, Guangbin","Direct β-Alkylation of Ketones and Aldehydes via Pd-Catalyzed Redox Cascade.","Journal of the American Chemical Society","2018","140","19","6057","6061","10.1021/jacs.8b03530","","","0.71073","MoKα","","0.1255","0.0885","","","0.2132","0.2371","","","","","","1.049","","","","has coordinates,has disorder","242359","2020-10-21","18:00:00",""
"4132377","13.6378","0.0008","13.6481","0.0008","19.0182","0.0011","93.601","0.002","102.19","0.002","111.741","0.002","3174.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 Fe O2 -","- C26 H30 Fe O2 -","- C156 H180 Fe6 O12 -","6","3","","Wang, Chengpeng; Dong, Guangbin","Direct β-Alkylation of Ketones and Aldehydes via Pd-Catalyzed Redox Cascade.","Journal of the American Chemical Society","2018","140","19","6057","6061","10.1021/jacs.8b03530","","","0.71073","MoKα","","0.0606","0.0382","","","0.077","0.0844","","","","","","1.011","","","","has coordinates","242360","2020-10-21","18:00:00",""
"4132378","16.4092","0.0016","16.4773","0.0016","28.5237","0.0013","92.704","0.006","92.421","0.006","107.771","0.009","7323","1.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C164 H150.76 N10 O12 -","- C164 H150.916 N10 O12 -","- C328 H301.832 N20 O24 -","2","1","","Schuster, Nathaniel J.; Hernández Sánchez, Raúl; Bukharina, Daria; Kotov, Nicholas A.; Berova, Nina; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin","A Helicene Nanoribbon with Greatly Amplified Chirality.","Journal of the American Chemical Society","2018","140","20","6235","6239","10.1021/jacs.8b03535","","x-ray","1.54184","CuKα","","0.2495","0.197","","","0.4947","0.5452","","","","","","1.74","","","","has coordinates,has disorder","242361","2020-10-21","18:00:00",""
"4132379","8.2162","0.0001","18.1432","0.0002","9.8241","0.0001","90","","110.383","0.004","90","","1372.76","0.04","150","2","150","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","RajanBabu 1617","","","- C31 H31 Br N Ni O2 P -","- C31 H31 Br N Ni O2 P -","- C62 H62 Br2 N2 Ni2 O4 P2 -","2","1","","Tenneti, Srinivasarao; Biswas, Souvagya; Cox, Glen Adam; Mans, Daniel J.; Lim, Hwan Jung; RajanBabu, T. V.","Broadly Applicable Stereoselective Syntheses of Serrulatane, Amphilectane Diterpenes, and Their Diastereoisomeric Congeners Using Asymmetric Hydrovinylation for Absolute Stereochemical Control.","Journal of the American Chemical Society","2018","140","31","9868","9881","10.1021/jacs.8b03549","","x-ray","0.71073","MoKα","","0.028","0.0237","","","0.0523","0.0538","","","","","","1.029","","","","has coordinates","242362","2020-10-21","18:00:00",""
"4132380","22.0032","0.0015","8.3103","0.0005","22.7142","0.0014","90","","90.349","0.003","90","","4153.3","0.5","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H33 N2 P -","- C22 H33 N2 P -","- C176 H264 N16 P8 -","8","1","","Borah, Arun Jyoti; Shi, Zhuangzhi","Rhodium-Catalyzed, Remote Terminal Hydroarylation of Activated Olefins through a Long-Range Deconjugative Isomerization.","Journal of the American Chemical Society","2018","140","19","6062","6066","10.1021/jacs.8b03560","","","0.71073","MoKα","","0.0512","0.0424","","","0.1069","0.1122","","","","","","1.049","","","","has coordinates","242363","2020-10-21","18:00:00",""
"4132381","33.63","0.004","7.9364","0.0009","20.078","0.003","90","","115.091","0.004","90","","4853.2","1.1","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H34 N2 O2 -","- C31 H34 N2 O2 -","- C248 H272 N16 O16 -","8","2","","Wang, Chengdong; Xiao, Guanlin; Guo, Tao; Ding, Yalan; Wu, Xiaojin; Loh, Teck-Peng","Palladium-Catalyzed Regiocontrollable Reductive Heck Reaction of Unactivated Aliphatic Alkenes.","Journal of the American Chemical Society","2018","140","30","9332","9336","10.1021/jacs.8b03619","","","0.71073","MoKα","","0.0804","0.0597","","","0.1465","0.1579","","","","","","1.036","","","","has coordinates","242364","2020-10-21","18:00:00",""
"4132382","23.384","0.005","4.7955","0.0011","29.08","0.006","90","","94.542","0.003","90","","3250.7","1.2","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N3 O -","- C20 H17 N3 O -","- C160 H136 N24 O8 -","8","1","","Wang, Chengdong; Xiao, Guanlin; Guo, Tao; Ding, Yalan; Wu, Xiaojin; Loh, Teck-Peng","Palladium-Catalyzed Regiocontrollable Reductive Heck Reaction of Unactivated Aliphatic Alkenes.","Journal of the American Chemical Society","2018","140","30","9332","9336","10.1021/jacs.8b03619","","","0.71073","MoKα","","0.0617","0.0515","","","0.1501","0.1647","","","","","","1.135","","","","has coordinates","242365","2020-10-21","18:00:00",""
"4132383","13.6466","0.0003","9.3168","0.0002","27.5704","0.0007","90","","90","","90","","3505.37","0.14","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C168 H160 N16 O8 -","8","1","","Wang, Chengdong; Xiao, Guanlin; Guo, Tao; Ding, Yalan; Wu, Xiaojin; Loh, Teck-Peng","Palladium-Catalyzed Regiocontrollable Reductive Heck Reaction of Unactivated Aliphatic Alkenes.","Journal of the American Chemical Society","2018","140","30","9332","9336","10.1021/jacs.8b03619","","","1.54178","CuKα","","0.0761","0.0615","","","0.1617","0.1853","","","","","","1.183","","","","has coordinates","242366","2020-10-21","18:00:00",""
"4132384","19.5302","0.0014","19.5302","0.0014","18.7188","0.0015","90","","90","","90","","7139.9","0.9","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C336 H320 N32 O16 -","16","1","","Wang, Chengdong; Xiao, Guanlin; Guo, Tao; Ding, Yalan; Wu, Xiaojin; Loh, Teck-Peng","Palladium-Catalyzed Regiocontrollable Reductive Heck Reaction of Unactivated Aliphatic Alkenes.","Journal of the American Chemical Society","2018","140","30","9332","9336","10.1021/jacs.8b03619","","","1.54178","CuKα","","0.1332","0.1048","","","0.2637","0.2904","","","","","","1.088","","","","has coordinates","242367","2020-10-21","18:00:00",""
"4132385","10.34417","0.00019","16.5497","0.0003","21.0086","0.0004","90","","105.661","0.0008","90","","3463.01","0.11","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H6 B F11 -","- C19 H6 B F11 -","- C152 H48 B8 F88 -","8","2","","Hoshimoto, Yoichi; Kinoshita, Takuya; Hazra, Sunit; Ohashi, Masato; Ogoshi, Sensuke","Main-Group-Catalyzed Reductive Alkylation of Multiply Substituted Amines with Aldehydes Using H<sub>2</sub>.","Journal of the American Chemical Society","2018","140","23","7292","7300","10.1021/jacs.8b03626","","","1.54187","CuKα","","0.0739","0.0438","","","0.0987","0.1291","","","","","","1.149","","","","has coordinates","242368","2020-10-21","18:00:00",""
"4132386","8.1093","0.0002","12.3368","0.0003","16.6982","0.0003","86.58","0.002","77.534","0.002","86.696","0.002","1626.53","0.06","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","2","","Hoshimoto, Yoichi; Kinoshita, Takuya; Hazra, Sunit; Ohashi, Masato; Ogoshi, Sensuke","Main-Group-Catalyzed Reductive Alkylation of Multiply Substituted Amines with Aldehydes Using H<sub>2</sub>.","Journal of the American Chemical Society","2018","140","23","7292","7300","10.1021/jacs.8b03626","","","1.54184","CuKα","","0.057","0.0495","","","0.132","0.137","","","","","","1.084","","","","has coordinates","242368","2020-10-21","18:00:00",""
"4132387","22.6526","0.0015","7.9132","0.0005","6.8187","0.0004","90","","93.51","0.006","90","","1219.99","0.13","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","","Hoshimoto, Yoichi; Kinoshita, Takuya; Hazra, Sunit; Ohashi, Masato; Ogoshi, Sensuke","Main-Group-Catalyzed Reductive Alkylation of Multiply Substituted Amines with Aldehydes Using H<sub>2</sub>.","Journal of the American Chemical Society","2018","140","23","7292","7300","10.1021/jacs.8b03626","","","1.54184","CuKα","","0.097","0.0797","","","0.2038","0.2272","","","","","","1.073","","","","has coordinates","242368","2020-10-21","18:00:00",""
"4132388","13.6723","0.00017","7.88868","0.00008","24.841","0.0003","90","","90.7992","0.001","90","","2679","0.05","213","","213","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 N O5 -","- C16 H11 N O5 -","- C128 H88 N8 O40 -","8","1","","Hoshimoto, Yoichi; Kinoshita, Takuya; Hazra, Sunit; Ohashi, Masato; Ogoshi, Sensuke","Main-Group-Catalyzed Reductive Alkylation of Multiply Substituted Amines with Aldehydes Using H<sub>2</sub>.","Journal of the American Chemical Society","2018","140","23","7292","7300","10.1021/jacs.8b03626","","","1.54187","CuKα","","0.04","0.0365","","","0.099","0.1018","","","","","","1.055","","","","has coordinates","242368","2020-10-21","18:00:00",""
"4132389","7.711","0.0005","10.52","0.0006","10.5887","0.0006","64.76","0.006","79.688","0.005","86.397","0.005","764.31","0.09","128","","128","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C30 H26 N2 O8 -","2","1","","Hoshimoto, Yoichi; Kinoshita, Takuya; Hazra, Sunit; Ohashi, Masato; Ogoshi, Sensuke","Main-Group-Catalyzed Reductive Alkylation of Multiply Substituted Amines with Aldehydes Using H<sub>2</sub>.","Journal of the American Chemical Society","2018","140","23","7292","7300","10.1021/jacs.8b03626","","x-ray","1.54184","CuKα","","0.0711","0.066","","","0.2731","0.2814","","","","","","1.2819","","","","has coordinates","242368","2020-10-21","18:00:00",""
"4132390","7.082","0.0006","10.1905","0.0008","22.8339","0.0018","90","","90","","90","","1647.9","0.2","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Chen, Gen-Qiang; Lin, Bi-Jin; Huang, Jia-Ming; Zhao, Ling-Yu; Chen, Qi-Shu; Jia, Shi-Peng; Yin, Qin; Zhang, Xumu","Design and Synthesis of Chiral oxa-Spirocyclic Ligands for Ir-Catalyzed Direct Asymmetric Reduction of Bringmann's Lactones with Molecular H<sub>2</sub>.","Journal of the American Chemical Society","2018","140","26","8064","8068","10.1021/jacs.8b03642","","x-ray","1.54178","CuKα","","0.0264","0.025","","","0.0627","0.0636","","","","","","1.043","","","","has coordinates","242369","2020-10-21","18:00:00",""
"4132391","26.2885","0.0009","8.8634","0.0003","8.7105","0.0003","90","","94.287","0.002","90","","2023.92","0.12","299","2","299.09","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 I4 N2 O2 Pb -","- C44 H36 I4 N2 O2 Pb -","- C88 H72 I8 N4 O4 Pb2 -","2","0.5","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","1.54178","CuKα","","0.0496","0.0452","","","0.1164","0.1208","","","","","","1.046","","","","has coordinates","242370","2020-10-21","18:00:00",""
"4132392","12.4181","0.0003","12.5652","0.0004","23.8888","0.0007","101.096","0.0019","104.074","0.0019","90.7065","0.0018","3541.18","0.18","299","2","299.11","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H70 I8 N4 O6 Pb2 -","- C56 H70 I8 N4 O6 Pb2 -","- C112 H140 I16 N8 O12 Pb4 -","2","1","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","1.54178","CuKα","","0.0636","0.0429","","","0.098","0.1071","","","","","","1.019","","","","has coordinates,has disorder","242371","2020-10-21","18:00:00",""
"4132393","23.0465","0.001","8.8619","0.0004","8.2792","0.0004","90","","95.2834","0.0019","90","","1683.72","0.13","299","2","299.11","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 I4 N2 O2 Pb -","- C26 H32 I4 N2 O2 Pb -","- C52 H64 I8 N4 O4 Pb2 -","2","0.5","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","1.54178","CuKα","","0.04","0.0374","","","0.1064","0.1097","","","","","","1.104","","","","has coordinates","242372","2020-10-21","18:00:00",""
"4132394","49.3776","0.0013","8.489","0.0002","9.448","0.0002","90","","94.9453","0.0013","90","","3945.54","0.16","299","2","299","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C38 H36 I4 N2 O2 Pb -","- C38 H36 I4 N2 O2 Pb -","- C152 H144 I16 N8 O8 Pb4 -","4","1","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","0.71073","MoKα","","0.0285","0.0238","","","0.0706","0.0739","","","","","","1.087","","","","has coordinates","242373","2020-10-21","18:00:00",""
"4132395","12.4275","0.0003","12.4001","0.0003","48.36","0.0012","90","","95.8609","0.0016","90","","7413.4","0.3","299","","299","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H32 I4 N2 O2 Pb -","- C36 H32 I4 N2 O2 Pb -","- C288 H256 I32 N16 O16 Pb8 -","8","2","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","1.54178","CuKα","","0.0774","0.068","","","0.175","0.1812","","","","","","1.044","","","","has coordinates","242374","2020-10-21","18:00:00",""
"4132396","12.5228","0.0017","12.4668","0.0017","39.555","0.006","90","","97.668","0.003","90","","6120.1","1.5","296","2","296","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C48 H56 I8 N4 O4 Pb2 -","- C48 H56 I8 N4 O4 Pb2 -","- C192 H224 I32 N16 O16 Pb8 -","4","1","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","0.71073","MoKα","","0.0414","0.0384","","","0.0891","0.0902","","","","","","1.044","","","","has coordinates","242375","2020-10-21","18:00:00",""
"4132397","53.3048","0.0016","6.1727","0.0002","12.5651","0.0004","90","","90.318","0.002","90","","4134.3","0.2","299","2","299.18","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 I4 N2 O2 Pb -","- C40 H40 I4 N2 O2 Pb -","- C160 H160 I16 N8 O8 Pb4 -","4","0.5","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","1.54178","CuKα","","0.0792","0.0551","","","0.1584","0.1835","","","","","","1.068","","","","has coordinates","242376","2020-10-21","18:00:00",""
"4132398","16.45","0.0003","16.45","0.0003","16.45","0.0003","90","","90","","90","","4451.41","0.14","100","","100","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","Fe(tri)2(BF4)0.33","","","- C48 H48 B4 F16 Fe12 N72 -","- C48 H48 B4 F16 Fe12 N72 -","- C96 H96 B8 F32 Fe24 N144 -","2","0.0104167","","Park, Jesse G.; Aubrey, Michael L.; Oktawiec, Julia; Chakarawet, Khetpakorn; Darago, Lucy E.; Grandjean, Fernande; Long, Gary J.; Long, Jeffrey R.","Charge Delocalization and Bulk Electronic Conductivity in the Mixed-Valence Metal-Organic Framework Fe(1,2,3-triazolate)<sub>2</sub>(BF<sub>4</sub>) <sub>x</sub>.","Journal of the American Chemical Society","2018","140","27","8526","8534","10.1021/jacs.8b03696","powder diffraction","x-ray","0.45241","synchrotron","","","","","","","","","0.018","3.445","","","","","","","has coordinates","242377","2020-10-21","18:00:00",""
"4132399","16.65075","0.00017","16.65075","0.00017","16.65075","0.00017","90","","90","","90","","4616.38","0.08","300","","300","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","Fe(tri)2","","","- C48 H48 Fe12 N72 -","- C48 H48 Fe12 N72 -","- C96 H96 Fe24 N144 -","2","0.0104167","","Park, Jesse G.; Aubrey, Michael L.; Oktawiec, Julia; Chakarawet, Khetpakorn; Darago, Lucy E.; Grandjean, Fernande; Long, Gary J.; Long, Jeffrey R.","Charge Delocalization and Bulk Electronic Conductivity in the Mixed-Valence Metal-Organic Framework Fe(1,2,3-triazolate)<sub>2</sub>(BF<sub>4</sub>) <sub>x</sub>.","Journal of the American Chemical Society","2018","140","27","8526","8534","10.1021/jacs.8b03696","powder diffraction","x-ray","0.45241","synchrotron","","","","","","","","","0.007","2.368","","","","","","","has coordinates","242378","2020-10-21","18:00:00",""
"4132400","16.4794","0.0003","16.4794","0.0003","16.4794","0.0003","90","","90","","90","","4475.32","0.14","300","","300","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","Fe(tri)2(BF4)0.33","","","- C48 H48 B4 F16 Fe12 N72 -","- C48 H48 B4 F16 Fe12 N72 -","- C96 H96 B8 F32 Fe24 N144 -","2","0.0104167","","Park, Jesse G.; Aubrey, Michael L.; Oktawiec, Julia; Chakarawet, Khetpakorn; Darago, Lucy E.; Grandjean, Fernande; Long, Gary J.; Long, Jeffrey R.","Charge Delocalization and Bulk Electronic Conductivity in the Mixed-Valence Metal-Organic Framework Fe(1,2,3-triazolate)<sub>2</sub>(BF<sub>4</sub>) <sub>x</sub>.","Journal of the American Chemical Society","2018","140","27","8526","8534","10.1021/jacs.8b03696","powder diffraction","x-ray","0.45241","synchrotron","","","","","","","","","0.017","3.571","","","","","","","has coordinates","242380","2020-10-21","18:00:00",""
"4132401","8.6821","0.0008","9.2577","0.0007","14.8443","0.0012","71.884","0.002","76.084","0.002","79.136","0.002","1092.31","0.16","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","2","","Gao, De-Wei; Vinogradova, Ekaterina V.; Nimmagadda, Sri Krishna; Medina, Jose M.; Xiao, Yiyang; Suciu, Radu M.; Cravatt, Benjamin F.; Engle, Keary M.","Direct Access to Versatile Electrophiles via Catalytic Oxidative Cyanation of Alkenes.","Journal of the American Chemical Society","2018","140","26","8069","8073","10.1021/jacs.8b03704","","x-ray","0.71073","MoKα","K-L~3~","0.0483","0.0368","","","0.0863","0.0929","","","","","","1.04","","","","has coordinates","242381","2020-10-21","18:00:00",""
"4132402","9.8385","0.0009","10.1022","0.0009","10.6601","0.0011","65.532","0.002","69.193","0.003","82.563","0.003","901.27","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N3 O4 -","- C20 H19 N3 O4 -","- C40 H38 N6 O8 -","2","1","","Gao, De-Wei; Vinogradova, Ekaterina V.; Nimmagadda, Sri Krishna; Medina, Jose M.; Xiao, Yiyang; Suciu, Radu M.; Cravatt, Benjamin F.; Engle, Keary M.","Direct Access to Versatile Electrophiles via Catalytic Oxidative Cyanation of Alkenes.","Journal of the American Chemical Society","2018","140","26","8069","8073","10.1021/jacs.8b03704","","x-ray","0.71073","MoKα","","0.0683","0.054","","","0.1297","0.14","","","","","","1.026","","","","has coordinates","242382","2020-10-21","18:00:00",""
"4132403","9.2425","0.0002","12.1233","0.0004","14.1393","0.0006","100.537","0.003","95.652","0.003","91.759","0.002","1548.09","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C84 H60 Cl4 N4 -","- C84 H60 Cl4 N4 -","- C84 H60 Cl4 N4 -","1","0.5","","Ajayakumar, M. R.; Fu, Yubin; Ma, Ji; Hennersdorf, Felix; Komber, Hartmut; Weigand, Jan J.; Alfonsov, Alexey; Popov, Alexey A.; Berger, Reinhard; Liu, Junzhi; Müllen, Klaus; Feng, Xinliang","Toward Full Zigzag-Edged Nanographenes: peri-Tetracene and Its Corresponding Circumanthracene.","Journal of the American Chemical Society","2018","140","20","6240","6244","10.1021/jacs.8b03711","","x-ray","1.54184","CuKα","","0.0612","0.056","","","0.1608","0.1684","","","","","","1.046","","","","has coordinates,has disorder","242391","2020-10-21","18:00:00",""
"4132404","11.7244","0.0004","12.9417","0.0005","14.3009","0.0005","83.817","0.003","87.738","0.003","85.372","0.003","2149.23","0.13","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C55 H42 Cl2 I2 -","- C55 H42 Cl2 I2 -","- C110 H84 Cl4 I4 -","2","1","","Ajayakumar, M. R.; Fu, Yubin; Ma, Ji; Hennersdorf, Felix; Komber, Hartmut; Weigand, Jan J.; Alfonsov, Alexey; Popov, Alexey A.; Berger, Reinhard; Liu, Junzhi; Müllen, Klaus; Feng, Xinliang","Toward Full Zigzag-Edged Nanographenes: peri-Tetracene and Its Corresponding Circumanthracene.","Journal of the American Chemical Society","2018","140","20","6240","6244","10.1021/jacs.8b03711","","x-ray","1.54184","CuKα","","0.034","0.0305","","","0.0778","0.0804","","","","","","1.038","","","","has coordinates,has disorder","242392","2020-10-21","18:00:00",""
"4132405","13.7112","0.0002","15.3522","0.0002","16.2553","0.0002","108.701","0.001","107.29","0.001","101.419","0.001","2927.37","0.08","100","0.4","100","0.4","","","","","","","","3","P -1","-P 1","2","","","","- C77 H65 Cl6 -","- C77 H65 Cl6 -","- C154 H130 Cl12 -","2","1","","Ajayakumar, M. R.; Fu, Yubin; Ma, Ji; Hennersdorf, Felix; Komber, Hartmut; Weigand, Jan J.; Alfonsov, Alexey; Popov, Alexey A.; Berger, Reinhard; Liu, Junzhi; Müllen, Klaus; Feng, Xinliang","Toward Full Zigzag-Edged Nanographenes: peri-Tetracene and Its Corresponding Circumanthracene.","Journal of the American Chemical Society","2018","140","20","6240","6244","10.1021/jacs.8b03711","","x-ray","1.54184","CuKα","","0.0484","0.0475","","","0.1339","0.1347","","","","","","1.022","","","","has coordinates,has disorder","242393","2020-10-21","18:00:00",""
"4132406","13.8261","0.0012","3.7274","0.0003","14.4026","0.001","90","","103.628","0.003","90","","721.35","0.1","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Au N2 S8 -","- C8 H6 Au N2 S8 -","- C16 H12 Au2 N4 S16 -","2","0.5","","Le Gal, Yann; Roisnel, Thierry; Auban-Senzier, Pascale; Bellec, Nathalie; Íñiguez, Jorge; Canadell, Enric; Lorcy, Dominique","Stable Metallic State of a Neutral-Radical Single-Component Conductor at Ambient Pressure.","Journal of the American Chemical Society","2018","140","22","6998","7004","10.1021/jacs.8b03714","","x-ray","0.71073","MoKα","","0.0732","0.0624","","","0.1228","0.1261","","","","","","1.383","","","","has coordinates","242394","2020-10-21","18:00:00",""
"4132407","22.294","0.007","6.3477","0.0018","18.974","0.005","90","","111.118","0.011","90","","2504.8","1.3","100","","100","","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C16 H26 Au N3 S8 -","- C16 H26 Au N3 S8 -","- C64 H104 Au4 N12 S32 -","4","1","","Le Gal, Yann; Roisnel, Thierry; Auban-Senzier, Pascale; Bellec, Nathalie; Íñiguez, Jorge; Canadell, Enric; Lorcy, Dominique","Stable Metallic State of a Neutral-Radical Single-Component Conductor at Ambient Pressure.","Journal of the American Chemical Society","2018","140","22","6998","7004","10.1021/jacs.8b03714","","x-ray","0.71073","MoKα","","0.0231","0.0216","","","0.0499","0.0509","","","","","","0.961","","","","has coordinates,has disorder","242395","2020-10-21","18:00:00",""
"4132408","17.479","0.003","36.198","0.006","18.614","0.003","90","","108.768","0.006","90","","11151","3","290","2","290","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H78 B8 F32 Fe4 N34 -","- C92 H78 B8 F32 Fe4 N34 -","- C368 H312 B32 F128 Fe16 N136 -","4","0.5","","Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie","Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex.","Journal of the American Chemical Society","2018","140","26","8218","8227","10.1021/jacs.8b03735","","","0.71073","MoKα","","0.1241","0.075","","","0.1916","0.235","","","","","","1.106","","","","has coordinates,has disorder","242396","2020-10-21","18:00:00",""
"4132409","21.6393","0.0013","21.6393","0.0013","21.1688","0.0015","90","","90","","90","","9912.5","1.1","120","2","120","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C88 H84 B4 F16 N32 O8 Zn4 -","- C88 H76 B4 F16 N32 O4 Zn4 -","- C352 H304 B16 F64 N128 O16 Zn16 -","4","0.25","","Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie","Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex.","Journal of the American Chemical Society","2018","140","26","8218","8227","10.1021/jacs.8b03735","","","0.71073","MoKα","","0.0623","0.0604","","","0.1574","0.1589","","","","","","1.138","","","","has coordinates","242397","2020-10-21","18:00:00",""
"4132410","26.4577","0.001","17.6215","0.0007","27.3241","0.0011","90","","116.132","0.002","90","","11437","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H94 B6 F24 Fe4 N40 -","- C104 H91 B6 F24 Fe4 N40 -","- C416 H364 B24 F96 Fe16 N160 -","4","1","","Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie","Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex.","Journal of the American Chemical Society","2018","140","26","8218","8227","10.1021/jacs.8b03735","","","0.71073","MoKα","","0.1079","0.0758","","","0.1922","0.2165","","","","","","1.013","","","","has coordinates,has disorder","242398","2020-10-21","18:00:00",""
"4132411","17.5399","0.0008","25.9317","0.0011","28.7826","0.0012","90","","116.955","0.003","90","","11669.2","0.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C112 H104 B4 F16 Fe4 N44 -","- C96 H80 B4 F16 Fe4 N36 -","- C384 H320 B16 F64 Fe16 N144 -","4","1","","Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie","Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex.","Journal of the American Chemical Society","2018","140","26","8218","8227","10.1021/jacs.8b03735","","","0.71073","MoKα","","0.1271","0.0921","","","0.2415","0.2586","","","","","","1.064","","","","has coordinates,has disorder","242399","2020-10-21","18:00:00",""
"4132412","19.5838","0.0005","35.646","0.001","18.5501","0.0005","90","","110.798","0.002","90","","12105.7","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H81 B8 F32 N35 Zn4 -","- C94 H81 B8 F32 N35 Zn4 -","- C376 H324 B32 F128 N140 Zn16 -","4","1","","Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie","Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex.","Journal of the American Chemical Society","2018","140","26","8218","8227","10.1021/jacs.8b03735","","","1.54178","CuKα","","0.1458","0.1211","","","0.2573","0.2674","","","","","","1.045","","","","has coordinates,has disorder","242400","2020-10-21","18:00:00",""
"4132413","20.0311","0.0015","35.23","0.003","18.0924","0.0014","90","","111.188","0.004","90","","11904.6","1.7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H90 B8 F32 Fe4 N38 -","- C92 H78 B8 F32 Fe4 N34 -","- C368 H312 B32 F128 Fe16 N136 -","4","0.5","","Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie","Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex.","Journal of the American Chemical Society","2018","140","26","8218","8227","10.1021/jacs.8b03735","","","0.71073","MoKα","","0.1052","0.0926","","","0.2441","0.2538","","","","","","1.078","","","","has coordinates,has disorder","242401","2020-10-21","18:00:00",""
"4132414","26.948","0.002","17.7359","0.0015","27.532","0.002","90","","115.376","0.004","90","","11889.2","1.6","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H94 B6 F24 Fe4 N40 -","- C104 H94 B6 F24 Fe4 N40 -","- C416 H376 B24 F96 Fe16 N160 -","4","1","","Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie","Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex.","Journal of the American Chemical Society","2018","140","26","8218","8227","10.1021/jacs.8b03735","","","0.71073","MoKα","","0.1363","0.0703","","","0.1622","0.1915","","","","","","1.023","","","","has coordinates,has disorder","242402","2020-10-21","18:00:00",""
"4132415","12.4165","0.0008","33.602","0.002","19.7243","0.0014","90","","101.313","0.002","90","","8069.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","FS-III-162","","","- C62.5 H138 Cl3.5 N5.5 P6 Re3 -","- C62.5 H138 Cl3.5 N5.5 P6 Re3 -","- C250 H552 Cl14 N22 P24 Re12 -","4","1","","Lindley, Brian M.; van Alten, Richt S.; Finger, Markus; Schendzielorz, Florian; Würtele, Christian; Miller, Alexander J. M.; Siewert, Inke; Schneider, Sven","Mechanism of Chemical and Electrochemical N<sub>2</sub> Splitting by a Rhenium Pincer Complex.","Journal of the American Chemical Society","2018","140","25","7922","7935","10.1021/jacs.8b03755","","","0.71073","MoKα","","0.1113","0.0639","","","0.1178","0.1328","","","","","","1.077","","","","has coordinates,has disorder","242403","2020-10-21","18:00:00",""
"4132416","10.3008","0.0004","11.0103","0.0004","11.3288","0.0004","90","","91.595","0.001","90","","1284.36","0.08","302","2","302.26","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H31 N O4 S -","- C28 H31 N O4 S -","- C56 H62 N2 O8 S2 -","2","1","","Qi, Xiaoxu; Chen, Chaohuang; Hou, Chuanqi; Fu, Liang; Chen, Pinhong; Liu, Guosheng","Enantioselective Pd(II)-Catalyzed Intramolecular Oxidative 6- endo Aminoacetoxylation of Unactivated Alkenes.","Journal of the American Chemical Society","2018","140","24","7415","7419","10.1021/jacs.8b03767","","","0.71073","MoKα","","0.0696","0.0501","","","0.1052","0.1134","","","","","","1.052","","","","has coordinates","242404","2020-10-21","18:00:00",""
"4132417","5.6586","0.0001","12.5761","0.0003","25.22","0.0005","90","","90","","90","","1794.73","0.06","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O5 S -","- C17 H23 N O5 S -","- C68 H92 N4 O20 S4 -","4","1","","Qi, Xiaoxu; Chen, Chaohuang; Hou, Chuanqi; Fu, Liang; Chen, Pinhong; Liu, Guosheng","Enantioselective Pd(II)-Catalyzed Intramolecular Oxidative 6- endo Aminoacetoxylation of Unactivated Alkenes.","Journal of the American Chemical Society","2018","140","24","7415","7419","10.1021/jacs.8b03767","","","0.71073","MoKα","","0.0426","0.0371","","","0.0921","0.0958","","","","","","1.058","","","","has coordinates","242405","2020-10-21","18:00:00",""
"4132418","8.385","0.002","12.444","0.003","16.636","0.004","90","","90","","90","","1735.8","0.7","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C64 H84 N4 O16 S4 -","4","1","","Qi, Xiaoxu; Chen, Chaohuang; Hou, Chuanqi; Fu, Liang; Chen, Pinhong; Liu, Guosheng","Enantioselective Pd(II)-Catalyzed Intramolecular Oxidative 6- endo Aminoacetoxylation of Unactivated Alkenes.","Journal of the American Chemical Society","2018","140","24","7415","7419","10.1021/jacs.8b03767","","","0.71073","MoKα","","0.0509","0.0427","","","0.1151","0.1234","","","","","","1.086","","","","has coordinates","242406","2020-10-21","18:00:00",""
"4132419","20.913","0.006","20.913","0.006","10.05","0.003","90","","90","","120","","3806.5","1.9","273","2","273.15","","","","","","","","","6","P 65","P 65","170","","","","- C27 H22 Cl2 N2 O Pd -","- C27 H22 Cl2 N2 O Pd -","- C162 H132 Cl12 N12 O6 Pd6 -","6","1","","Qi, Xiaoxu; Chen, Chaohuang; Hou, Chuanqi; Fu, Liang; Chen, Pinhong; Liu, Guosheng","Enantioselective Pd(II)-Catalyzed Intramolecular Oxidative 6- endo Aminoacetoxylation of Unactivated Alkenes.","Journal of the American Chemical Society","2018","140","24","7415","7419","10.1021/jacs.8b03767","","","0.71073","MoKα","","0.1087","0.0599","","","0.1048","0.1236","","","","","","1.054","","","","has coordinates","242407","2020-10-21","18:00:00",""
"4132420","12.3113","0","17.1071","0.0002","17.4051","0.0002","95.068","0.011","109.078","0.019","109.676","0.01","3180","0.6","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C64.77 H76.77 Cl2.31 Si4 -","- C64.77 H76.77 Cl2.31 Si4 -","- C129.54 H153.54 Cl4.62 Si8 -","2","1","","Yamakado, Takuya; Otsubo, Kazuya; Osuka, Atsuhiro; Saito, Shohei","Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase.","Journal of the American Chemical Society","2018","140","20","6245","6248","10.1021/jacs.8b03833","","","1.54187","CuKα","","0.0484","0.0458","","","0.126","0.1279","","","","","","1.062","","","","has coordinates,has disorder","242408","2020-10-21","18:00:00",""
"4132421","20.8371","0.0004","21.9323","0.0004","22.9286","0.0004","88.53","0.002","84.69","0.001","89.064","0.002","10429.1","0.3","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C76 H100 Si4 -","- C76 H100 Si4 -","- C456 H600 Si24 -","6","3","","Yamakado, Takuya; Otsubo, Kazuya; Osuka, Atsuhiro; Saito, Shohei","Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase.","Journal of the American Chemical Society","2018","140","20","6245","6248","10.1021/jacs.8b03833","","","0.71073","MoKα","","0.1366","0.1096","","","0.2708","0.2878","","","","","","1.072","","","","has coordinates,has disorder","242409","2020-10-21","18:00:00",""
"4132422","14.0525","0.0012","33.864","0.003","30.643","0.003","90","","90.53","0.004","90","","14582","2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C153.55 H203.1 Cl3.1 Si8 -","- C153.55 H203.1 Cl3.1 Si8 -","- C614.2 H812.4 Cl12.4 Si32 -","4","1","","Yamakado, Takuya; Otsubo, Kazuya; Osuka, Atsuhiro; Saito, Shohei","Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase.","Journal of the American Chemical Society","2018","140","20","6245","6248","10.1021/jacs.8b03833","","","1.54187","CuKα","","0.1061","0.0984","","","0.2543","0.2604","","","","","","1.044","","","","has coordinates,has disorder","242410","2020-10-21","18:00:00",""
"4132423","17.765","0.002","19.556","0.002","34.096","0.004","91.567","0.007","102.628","0.004","94.744","0.002","11507","2","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H76 Si4 -","- C64 H76 Si4 -","- C512 H608 Si32 -","8","4","","Yamakado, Takuya; Otsubo, Kazuya; Osuka, Atsuhiro; Saito, Shohei","Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase.","Journal of the American Chemical Society","2018","140","20","6245","6248","10.1021/jacs.8b03833","","","1.54187","CuKα","","0.0623","0.0565","","","0.1628","0.166","","","","","","1.021","","","","has coordinates,has disorder","242411","2020-10-21","18:00:00",""
"4132424","9.7656","0.0011","16.3229","0.0017","16.4044","0.0017","106.021","0.0017","92.4568","0.0018","96.7633","0.0018","2488.1","0.5","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C52.3 H52.6 Cl0.6 Si4 -","- C52.3 H52.6 Cl0.6 Si4 -","- C104.6 H105.2 Cl1.2 Si8 -","2","1","","Yamakado, Takuya; Otsubo, Kazuya; Osuka, Atsuhiro; Saito, Shohei","Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase.","Journal of the American Chemical Society","2018","140","20","6245","6248","10.1021/jacs.8b03833","","","0.71073","MoKα","","0.0779","0.0526","","","0.1142","0.1263","","","","","","1.047","","","","has coordinates,has disorder","242412","2020-10-21","18:00:00",""
"4132425","28.0973","0.0011","34.31","0.0017","30.1231","0.001","90","","90.564","0.002","90","","29038","2","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H100 Si4 -","- C76 H100 Si4 -","- C1216 H1600 Si64 -","16","4","","Yamakado, Takuya; Otsubo, Kazuya; Osuka, Atsuhiro; Saito, Shohei","Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase.","Journal of the American Chemical Society","2018","140","20","6245","6248","10.1021/jacs.8b03833","","","1.54187","CuKα","","0.0702","0.0652","","","0.1783","0.1827","","","","","","1.014","","","","has coordinates,has disorder","242413","2020-10-21","18:00:00",""
"4132426","7.076","0.002","9.231","0.003","12.242","0.004","95.341","0.007","105.299","0.007","97.97","0.008","756.8","0.4","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H16 N6 O6 -","- C11 H16 N6 O6 -","- C22 H32 N12 O12 -","2","1","","Bian, Lifang; Shi, Huifang; Wang, Xuan; Ling, Kun; Ma, Huili; Li, Mengping; Cheng, Zhichao; Ma, Chaoqun; Cai, Suzhi; Wu, Qi; Gan, Nan; Xu, Xiangfei; An, Zhongfu; Huang, Wei","Simultaneously Enhancing Efficiency and Lifetime of Ultralong Organic Phosphorescence Materials by Molecular Self-Assembly.","Journal of the American Chemical Society","2018","140","34","10734","10739","10.1021/jacs.8b03867","","","0.71073","MoKα","","0.1088","0.0631","","","0.1644","0.1838","","","","","","1.061","","","","has coordinates","242414","2020-10-21","18:00:00",""
"4132427","16.3144","0.0013","17.0403","0.0013","18.0957","0.0014","105.937","0.002","90.656","0.003","111.646","0.002","4460.3","0.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C72 H72 Cr2 F12 Fe2 N28 O10 P2 -","- C72 H68 Cr2 F12 Fe2 N28 O10 P2 -","- C144 H136 Cr4 F24 Fe4 N56 O20 P4 -","2","1","","Pichon, Céline; Suaud, Nicolas; Duhayon, Carine; Guihéry, Nathalie; Sutter, Jean-Pascal","Cyano-Bridged Fe(II)-Cr(III) Single-Chain Magnet Based on Pentagonal Bipyramid Units: On the Added Value of Aligned Axial Anisotropy.","Journal of the American Chemical Society","2018","140","24","7698","7704","10.1021/jacs.8b03891","","","0.71073","MoKα","","0.1293","0.0675","","0.1072","0.0712","0.0657","","","","","","1.1351","","","","has coordinates","242415","2020-10-21","18:00:00",""
"4132428","17.9823","0.0008","23.0229","0.001","17.6605","0.0008","90","","93.5112","0.0016","90","","7297.8","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H53 Cr2 Fe N21 O6 -","- C61 H53 Cr2 Fe N21 O6 -","- C244 H212 Cr8 Fe4 N84 O24 -","4","1","","Pichon, Céline; Suaud, Nicolas; Duhayon, Carine; Guihéry, Nathalie; Sutter, Jean-Pascal","Cyano-Bridged Fe(II)-Cr(III) Single-Chain Magnet Based on Pentagonal Bipyramid Units: On the Added Value of Aligned Axial Anisotropy.","Journal of the American Chemical Society","2018","140","24","7698","7704","10.1021/jacs.8b03891","","","0.71073","MoKα","","0.0408","0.0348","","0.0445","0.0353","0.0345","","","","","","1.0632","","","","has coordinates","242416","2020-10-21","18:00:00",""
"4132429","12.1932","0.0009","12.7204","0.0009","22.2152","0.0016","100.886","0.0013","104.395","0.0014","95.5327","0.0014","3240","0.4","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C51 H99 K N2 Np O6 Si6 -","- C51 H99 K N2 Np O6 Si6 -","- C102 H198 K2 N4 Np2 O12 Si12 -","2","1","","Su, Jing; Windorff, Cory J.; Batista, Enrique R.; Evans, William J.; Gaunt, Andrew J.; Janicke, Michael T.; Kozimor, Stosh A.; Scott, Brian L.; Woen, David H.; Yang, Ping","Identification of the Formal +2 Oxidation State of Neptunium: Synthesis and Structural Characterization of {Np<sup>II</sup>[C<sub>5</sub>H<sub>3</sub>(SiMe<sub>3</sub>)<sub>2</sub>]<sub>3</sub>}<sup>1</sup>.","Journal of the American Chemical Society","2018","140","24","7425","7428","10.1021/jacs.8b03907","","","0.71073","MoKα","","0.034","0.0288","","","0.0621","0.0635","","","","","","1.259","","","","has coordinates","242417","2020-10-21","18:00:00",""
"4132430","12.03","0.0005","10.6729","0.0004","25.4912","0.0009","90","","97.675","0.001","90","","3243.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H37 Cl8 N O P2 Ru -","- C22 H37 Cl8 N O P2 Ru -","- C88 H148 Cl32 N4 O4 P8 Ru4 -","4","1","","Zeng, Rong; Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","CO Oxidation by N<sub>2</sub>O Homogeneously Catalyzed by Ruthenium Hydride Pincer Complexes Indicating a New Mechanism.","Journal of the American Chemical Society","2018","140","23","7061","7064","10.1021/jacs.8b03927","","","0.71073","MoKα","","0.0404","0.0304","","","0.0659","0.0698","","","","","","0.994","","","","has coordinates,has disorder","242418","2020-10-21","18:00:00",""
"4132431","8.8526","0.0005","8.5443","0.0004","27.4092","0.0013","90","","96.433","0.005","90","","2060.16","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N2 O2 P Ru -","- C21 H27 N2 O2 P Ru -","- C84 H108 N8 O8 P4 Ru4 -","4","1","","Zeng, Rong; Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","CO Oxidation by N<sub>2</sub>O Homogeneously Catalyzed by Ruthenium Hydride Pincer Complexes Indicating a New Mechanism.","Journal of the American Chemical Society","2018","140","23","7061","7064","10.1021/jacs.8b03927","","","0.71073","MoKα","","0.0455","0.0333","","","0.0678","0.0705","","","","","","1.088","","","","has coordinates","242418","2020-10-21","18:00:00",""
"4132432","12.0886","0.0006","13.2869","0.0011","26.5089","0.0013","90","","90","","90","","4257.9","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H27 N2 O2 P Ru -","- C21 H27 N2 O2 P Ru -","- C168 H216 N16 O16 P8 Ru8 -","8","1","","Zeng, Rong; Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","CO Oxidation by N<sub>2</sub>O Homogeneously Catalyzed by Ruthenium Hydride Pincer Complexes Indicating a New Mechanism.","Journal of the American Chemical Society","2018","140","23","7061","7064","10.1021/jacs.8b03927","","","0.71073","MoKα","","0.0544","0.039","","","0.0762","0.0804","","","","","","1.074","","","","has coordinates","242418","2020-10-21","18:00:00",""
"4132433","13.1954","0.0007","15.1605","0.0008","14.1886","0.0007","90","","108.745","0.002","90","","2687.9","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Cl5 N2 O P Ru -","- C21 H28 Cl5 N2 O P Ru -","- C84 H112 Cl20 N8 O4 P4 Ru4 -","4","1","","Zeng, Rong; Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","CO Oxidation by N<sub>2</sub>O Homogeneously Catalyzed by Ruthenium Hydride Pincer Complexes Indicating a New Mechanism.","Journal of the American Chemical Society","2018","140","23","7061","7064","10.1021/jacs.8b03927","","","0.71073","MoKα","","0.0389","0.0282","","","0.0597","0.0639","","","","","","1.017","","","","has coordinates,has disorder","242418","2020-10-21","18:00:00",""
"4132434","7.9533","0.0005","15.2254","0.0009","17.5833","0.001","90","","94.438","0.001","90","","2122.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Cl2 N2 O P Ru -","- C20 H27 Cl2 N2 O P Ru -","- C80 H108 Cl8 N8 O4 P4 Ru4 -","4","1","","Zeng, Rong; Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","CO Oxidation by N<sub>2</sub>O Homogeneously Catalyzed by Ruthenium Hydride Pincer Complexes Indicating a New Mechanism.","Journal of the American Chemical Society","2018","140","23","7061","7064","10.1021/jacs.8b03927","","","0.71073","MoKα","","0.0432","0.0348","","","0.0697","0.0721","","","","","","1.222","","","","has coordinates,has disorder","242418","2020-10-21","18:00:00",""
"4132435","8.943","0.005","10.923","0.006","11.682","0.006","90","","90","","90","","1141.1","1.1","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 Cl Fe N2 -","- C11 H13 Cl Fe N2 -","- C44 H52 Cl4 Fe4 N8 -","4","1","","Drolen, Claire; Conklin, Eric; Hetterich, Stephen J.; Krishnamurthy, Aditi; Andrade, Gabriel A.; Dimeglio, John L.; Martin, Maxwell I.; Tran, Linh K.; Yap, Glenn P. A.; Rosenthal, Joel; Young, Elizabeth R.","pH-Driven Mechanistic Switching from Electron Transfer to Energy Transfer between [Ru(bpy)<sub>3</sub>]<sup>2+</sup> and Ferrocene Derivatives.","Journal of the American Chemical Society","2018","140","32","10169","10178","10.1021/jacs.8b03933","","","0.71073","MoKα","","0.0237","0.0231","","","0.0603","0.0612","","","","","","1.02","","","","has coordinates","242419","2020-10-21","18:00:00",""
"4132436","9.842","0.002","13.966","0.003","12.181","0.003","90","","90","","90","","1674.3","0.6","200","2","200","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C14 H20 F6 Fe N P -","- C14 H20 F6 Fe N P -","- C56 H80 F24 Fe4 N4 P4 -","4","0.5","","Drolen, Claire; Conklin, Eric; Hetterich, Stephen J.; Krishnamurthy, Aditi; Andrade, Gabriel A.; Dimeglio, John L.; Martin, Maxwell I.; Tran, Linh K.; Yap, Glenn P. A.; Rosenthal, Joel; Young, Elizabeth R.","pH-Driven Mechanistic Switching from Electron Transfer to Energy Transfer between [Ru(bpy)<sub>3</sub>]<sup>2+</sup> and Ferrocene Derivatives.","Journal of the American Chemical Society","2018","140","32","10169","10178","10.1021/jacs.8b03933","","","0.71073","MoKα","","0.0595","0.0518","","","0.1401","0.1484","","","","","","1.003","","","","has coordinates,has disorder","242420","2020-10-21","18:00:00",""
"4132437","18.8753","0.0007","10.9829","0.0004","8.5634","0.0003","90","","90","","90","","1775.24","0.11","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H20 B2 F8 Fe N -","- C14 H20 B2 F8 Fe N -","- C56 H80 B8 F32 Fe4 N4 -","4","1","","Drolen, Claire; Conklin, Eric; Hetterich, Stephen J.; Krishnamurthy, Aditi; Andrade, Gabriel A.; Dimeglio, John L.; Martin, Maxwell I.; Tran, Linh K.; Yap, Glenn P. A.; Rosenthal, Joel; Young, Elizabeth R.","pH-Driven Mechanistic Switching from Electron Transfer to Energy Transfer between [Ru(bpy)<sub>3</sub>]<sup>2+</sup> and Ferrocene Derivatives.","Journal of the American Chemical Society","2018","140","32","10169","10178","10.1021/jacs.8b03933","","","1.54184","CuKα","","0.0548","0.0427","","","0.0987","0.1043","","","","","","1.014","","","","has coordinates","242421","2020-10-21","18:00:00",""
"4132438","30.43","0.006","31.273","0.006","32.258","0.007","117.87","0.03","104.25","0.03","104.17","0.03","23870","16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C198 H239 F24 N40 O3 P4 Pd8 S3 -","- C198 H239 F24 N40 O3 P4 Pd8 S3 -","- C396 H478 F48 N80 O6 P8 Pd16 S6 -","2","1","","Howlader, Prodip; Mondal, Bijnaneswar; Purba, Prioti Choudhury; Zangrando, Ennio; Mukherjee, Partha Sarathi","Self-Assembled Pd(II) Barrels as Containers for Transient Merocyanine Form and Reverse Thermochromism of Spiropyran.","Journal of the American Chemical Society","2018","140","25","7952","7960","10.1021/jacs.8b03946","","","0.7","synchrotron","","0.0925","0.0803","","","0.2426","0.2575","","","","","","1.089","","","","has coordinates","242422","2020-10-21","18:00:00",""
"4132439","22.184","0.004","23.316","0.005","24.414","0.005","107.21","0.03","103.15","0.03","91.64","0.03","11684","5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C200 H250 F36 N42 O10 P6 Pd8 S4 -","- C200 H248 F36 N42 O10 P6 Pd8 S4 -","- C200 H248 F36 N42 O10 P6 Pd8 S4 -","1","0.5","","Howlader, Prodip; Mondal, Bijnaneswar; Purba, Prioti Choudhury; Zangrando, Ennio; Mukherjee, Partha Sarathi","Self-Assembled Pd(II) Barrels as Containers for Transient Merocyanine Form and Reverse Thermochromism of Spiropyran.","Journal of the American Chemical Society","2018","140","25","7952","7960","10.1021/jacs.8b03946","","","0.7","synchrotron","","0.0679","0.0557","","","0.1741","0.1817","","","","","","1.003","","","","has coordinates,has disorder","242423","2020-10-21","18:00:00",""
"4132440","16.183","0.003","9.4935","0.0016","13.961","0.002","90","","104.871","0.01","90","","2073","0.6","250","","250.08","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H24 Cl4 Fe N2 O4 -","- C14 H24 Cl4 Fe N2 O4 -","- C56 H96 Cl16 Fe4 N8 O16 -","4","0.5","","DeGayner, Jordan A.; Wang, Kunyu; Harris, T. David","A Ferric Semiquinoid Single-Chain Magnet via Thermally-Switchable Metal-Ligand Electron Transfer.","Journal of the American Chemical Society","2018","140","21","6550","6553","10.1021/jacs.8b03949","","","0.71073","MoKα","","0.0946","0.0727","","","0.1927","0.2055","","","","","","1.032","","","","has coordinates","242424","2020-10-21","18:00:00",""
"4132441","16.1004","0.0014","9.3394","0.0008","13.8165","0.0013","90","","104.971","0.005","90","","2007","0.3","100","","100.02","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(NMe4)2CAFeCl2_100K","","- C14 H24 Cl4 Fe N2 O4 -","- C14 H24 Cl4 Fe N2 O4 -","- C56 H96 Cl16 Fe4 N8 O16 -","4","0.5","","DeGayner, Jordan A.; Wang, Kunyu; Harris, T. David","A Ferric Semiquinoid Single-Chain Magnet via Thermally-Switchable Metal-Ligand Electron Transfer.","Journal of the American Chemical Society","2018","140","21","6550","6553","10.1021/jacs.8b03949","","","0.71073","MoKα","","0.0961","0.0653","","","0.1748","0.1915","","","","","","1.071","","","","has coordinates","242424","2020-10-21","18:00:00",""
"4132442","12.9445","0.0015","20.055","0.002","17.771","0.002","90","","107.513","0.003","90","","4399.5","0.8","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H71 N4 O Y -","- C45 H71 N4 O Y -","- C180 H284 N16 O4 Y4 -","4","1","","Kundu, Abhinanda; Inoue, Mariko; Nagae, Haruki; Tsurugi, Hayato; Mashima, Kazushi","Direct ortho-C-H Aminoalkylation of 2-Substituted Pyridine Derivatives Catalyzed by Yttrium Complexes with N,N'-Diarylethylenediamido Ligands.","Journal of the American Chemical Society","2018","140","23","7332","7342","10.1021/jacs.8b03998","","","0.71075","MoKα","","0.1247","0.0644","","","0.1318","0.1616","","","","","","1.046","","","","has coordinates","242425","2020-10-21","18:00:00",""
"4132443","14.6844","0.0014","16.2869","0.0016","17.6979","0.0016","90","","90","","90","","4232.7","0.7","113","","113","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H61 Lu N2 O2 Si -","- C44 H61 Lu N2 O2 Si -","- C176 H244 Lu4 N8 O8 Si4 -","4","1","","Kundu, Abhinanda; Inoue, Mariko; Nagae, Haruki; Tsurugi, Hayato; Mashima, Kazushi","Direct ortho-C-H Aminoalkylation of 2-Substituted Pyridine Derivatives Catalyzed by Yttrium Complexes with N,N'-Diarylethylenediamido Ligands.","Journal of the American Chemical Society","2018","140","23","7332","7342","10.1021/jacs.8b03998","","","0.71075","MoKα","","0.0251","0.0207","","","0.0431","0.0439","","","","","","0.975","","","","has coordinates","242425","2020-10-21","18:00:00",""
"4132444","18.829","0.0008","5.8347","0.0003","18.4856","0.0008","90","","98.902","0.002","90","","2006.39","0.16","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H19 F3 O10 -","- C15 H19 F3 O10 -","- C60 H76 F12 O40 -","4","1","","Zhou, Min; Ni, Chuanfa; Zeng, Yuwen; Hu, Jinbo","Trifluoromethyl Benzoate: A Versatile Trifluoromethoxylation Reagent.","Journal of the American Chemical Society","2018","140","22","6801","6805","10.1021/jacs.8b04000","","","1.54178","CuKα","","0.0779","0.0715","","","0.2193","0.2338","","","","","","1.069","","","","has coordinates,has disorder","242426","2020-10-21","18:00:00",""
"4132445","38.91","0.003","8.4458","0.0005","8.342","0.0006","90","","90","","90","","2741.4","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C9 H29 Br7 N4 Pb2 -","- C9 H29 Br7 N4 Pb2 -","- C36 H116 Br28 N16 Pb8 -","4","0.5","","Li, Lina; Shang, Xiaoying; Wang, Sasa; Dong, Ningning; Ji, Chengmin; Chen, Xueyuan; Zhao, Sangen; Wang, Jun; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Bilayered Hybrid Perovskite Ferroelectric with Giant Two-Photon Absorption.","Journal of the American Chemical Society","2018","140","22","6806","6809","10.1021/jacs.8b04014","","","0.71073","MoKα","","0.1042","0.0908","","","0.2297","0.2516","","","","","","1.038","","","","has coordinates","242427","2020-10-21","18:00:00",""
"4132446","39.303","0.004","8.4726","0.0004","8.4483","0.0005","90","","90","","90","","2813.3","0.4","330","2","330","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C9 H29 Br7 N4 Pb2 -","- C9 H29 Br7 N4 Pb2 -","- C36 H116 Br28 N16 Pb8 -","4","0.25","","Li, Lina; Shang, Xiaoying; Wang, Sasa; Dong, Ningning; Ji, Chengmin; Chen, Xueyuan; Zhao, Sangen; Wang, Jun; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Bilayered Hybrid Perovskite Ferroelectric with Giant Two-Photon Absorption.","Journal of the American Chemical Society","2018","140","22","6806","6809","10.1021/jacs.8b04014","","","0.71073","MoKα","","0.0678","0.0453","","","0.1164","0.1304","","","","","","1.03","","","","has coordinates","242428","2020-10-21","18:00:00",""
"4132447","6.9976","0.001","11.0632","0.0016","15.736","0.002","87.487","0.003","79.01","0.003","73.201","0.003","1144.8","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H27 Cl I N O4 -","- C21 H27 Cl I N O4 -","- C42 H54 Cl2 I2 N2 O8 -","2","1","","Zou, Yike; Li, Xiangqin; Yang, Yun; Berritt, Simon; Melvin, Jason; Gonzales, Stephen; Spafford, Matthew; Smith, 3rd, Amos B","Total Synthesis of (-)-Nodulisporic Acids D, C, and B: Evolution of a Unified Synthetic Strategy.","Journal of the American Chemical Society","2018","140","30","9502","9511","10.1021/jacs.8b04053","","","0.71073","MoKα","","0.0388","0.0352","","","0.0896","0.092","","","","","","1.148","","","","has coordinates","242429","2020-10-21","18:00:00",""
"4132448","7.0926","0.0003","10.7908","0.0004","20.6337","0.0009","90","","96.016","0.002","90","","1570.5","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H56 O3 Si2 -","- C29 H56 O3 Si2 -","- C58 H112 O6 Si4 -","2","1","","Zou, Yike; Li, Xiangqin; Yang, Yun; Berritt, Simon; Melvin, Jason; Gonzales, Stephen; Spafford, Matthew; Smith, 3rd, Amos B","Total Synthesis of (-)-Nodulisporic Acids D, C, and B: Evolution of a Unified Synthetic Strategy.","Journal of the American Chemical Society","2018","140","30","9502","9511","10.1021/jacs.8b04053","","","0.71073","MoKα","","0.0318","0.0311","","","0.083","0.0838","","","","","","1.127","","","","has coordinates","242430","2020-10-21","18:00:00",""
"4132449","9.8887","0.0006","14.8615","0.0008","19.586","0.0011","73.101","0.003","80.806","0.003","74.567","0.003","2644.2","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H27 Br O3 -","- C19 H27 Br O3 -","- C114 H162 Br6 O18 -","6","3","","Zou, Yike; Li, Xiangqin; Yang, Yun; Berritt, Simon; Melvin, Jason; Gonzales, Stephen; Spafford, Matthew; Smith, 3rd, Amos B","Total Synthesis of (-)-Nodulisporic Acids D, C, and B: Evolution of a Unified Synthetic Strategy.","Journal of the American Chemical Society","2018","140","30","9502","9511","10.1021/jacs.8b04053","","","0.71073","MoKα","","0.0304","0.0256","","","0.0662","0.0687","","","","","","1.057","","","","has coordinates","242431","2020-10-21","18:00:00",""
"4132450","19.2746","0.0009","7.6362","0.0002","20.2859","0.0006","90","","101.507","0.001","90","","2925.76","0.18","100","1","100","1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C16 H20 Cl N O -","- C16 H20 Cl N O -","- C128 H160 Cl8 N8 O8 -","8","2","","Zou, Yike; Li, Xiangqin; Yang, Yun; Berritt, Simon; Melvin, Jason; Gonzales, Stephen; Spafford, Matthew; Smith, 3rd, Amos B","Total Synthesis of (-)-Nodulisporic Acids D, C, and B: Evolution of a Unified Synthetic Strategy.","Journal of the American Chemical Society","2018","140","30","9502","9511","10.1021/jacs.8b04053","","","0.71073","MoKα","","0.0288","0.0269","","","0.071","0.0723","","","","","","1.043","","","","has coordinates","242432","2020-10-21","18:00:00",""
"4132451","9.3356","0.0003","10.3523","0.0003","27.244","0.0009","90","","90","","90","","2632.99","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 Cl N O5 -","- C26 H36 Cl N O5 -","- C104 H144 Cl4 N4 O20 -","4","1","","Zou, Yike; Li, Xiangqin; Yang, Yun; Berritt, Simon; Melvin, Jason; Gonzales, Stephen; Spafford, Matthew; Smith, 3rd, Amos B","Total Synthesis of (-)-Nodulisporic Acids D, C, and B: Evolution of a Unified Synthetic Strategy.","Journal of the American Chemical Society","2018","140","30","9502","9511","10.1021/jacs.8b04053","","","0.71073","MoKα","","0.0315","0.0307","","","0.0772","0.0779","","","","","","1.02","","","","has coordinates,has disorder","242433","2020-10-21","18:00:00",""
"4132452","9.9954","0.0007","11.9031","0.0008","18.5973","0.0011","78.224","0.003","85.522","0.003","77.125","0.003","2110.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","ain7165","","","- C29 H37 Cl4 Co4 Mn N4 O19 -","- C29 H37 Cl4 Co4 Mn N4 O19 -","- C58 H74 Cl8 Co8 Mn2 N8 O38 -","2","1","","Nguyen, Andy I.; Darago, Lucy E.; Balcells, David; Tilley, T. Don","Influence of a ""Dangling"" Co(II) Ion Bound to a [MnCo<sub>3</sub>O<sub>4</sub>] Oxo Cubane.","Journal of the American Chemical Society","2018","140","29","9030","9033","10.1021/jacs.8b04065","","","0.71073","MoKα","","0.0962","0.0877","","","0.2187","0.2222","","","","","","1.278","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4132453","9.5521","0.0003","9.1531","0.0003","16.1386","0.0005","90","","91.007","0.001","90","","1410.8","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","JYW-1-177","hartwig126","","- C29 H54 P2 Pd -","- C29 H54 P2 Pd -","- C58 H108 P4 Pd2 -","2","0.5","","Wang, Justin Y.; Strom, Alexandra E.; Hartwig, John F.","Mechanistic Studies of Palladium-Catalyzed Aminocarbonylation of Aryl Chlorides with Carbon Monoxide and Ammonia.","Journal of the American Chemical Society","2018","140","25","7979","7993","10.1021/jacs.8b04073","","","1.54178","CuKα","","0.0563","0.0556","","","0.127","0.1273","","","","","","1.365","","","","has coordinates,has disorder","242435","2020-10-21","18:00:00",""
"4132454","10.7443","0.0005","21.9962","0.0011","25.3867","0.0012","90","","95.498","0.003","90","","5972.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","jyw-296","hartwig151","","- C55 H101 B F4 O P4 Pd2 -","- C55 H101 B F4 O P4 Pd2 -","- C220 H404 B4 F16 O4 P16 Pd8 -","4","1","","Wang, Justin Y.; Strom, Alexandra E.; Hartwig, John F.","Mechanistic Studies of Palladium-Catalyzed Aminocarbonylation of Aryl Chlorides with Carbon Monoxide and Ammonia.","Journal of the American Chemical Society","2018","140","25","7979","7993","10.1021/jacs.8b04073","","","0.71073","MoKα","","0.1513","0.1133","","","0.266","0.2888","","","","","","1.032","","","","has coordinates","242436","2020-10-21","18:00:00",""
"4132455","14.5802","0.0008","23.5092","0.0015","8.5138","0.0006","90","","90","","90","","2918.3","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","jyw-241","hartwig134","","- C29 H50 O2 P2 Pd -","- C29 H50 O2 P2 Pd -","- C116 H200 O8 P8 Pd4 -","4","0.5","","Wang, Justin Y.; Strom, Alexandra E.; Hartwig, John F.","Mechanistic Studies of Palladium-Catalyzed Aminocarbonylation of Aryl Chlorides with Carbon Monoxide and Ammonia.","Journal of the American Chemical Society","2018","140","25","7979","7993","10.1021/jacs.8b04073","","","0.71073","MoKα","","0.0352","0.0295","","","0.0679","0.0703","","","","","","1.104","","","","has coordinates","242437","2020-10-21","18:00:00",""
"4132456","9.8814","0.0003","11.6523","0.0004","16.7557","0.0005","108.751","0.001","103.739","0.001","94.839","0.001","1747.31","0.1","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C36 H49 Au Cl F6 N P Sb -","- C36 H49 Au Cl F6 N P Sb -","- C72 H98 Au2 Cl2 F12 N2 P2 Sb2 -","2","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","","0.0286","0.0258","","","0.0626","0.0643","","","","","","1.031","","","","has coordinates","242438","2020-10-21","18:00:00",""
"4132457","11.492","0.002","19.277","0.003","13.003","0.002","90","","99.819","0.005","90","","2838.4","0.8","100","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H46 B10 N4 P2 -","- C18 H46 B10 N4 P2 -","- C72 H184 B40 N16 P8 -","4","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","K-L~3~","0.0619","0.0418","","","0.0958","0.1062","","","","","","1.023","","","","has coordinates","242438","2020-10-21","18:00:00",""
"4132458","20.8838","0.001","17.9885","0.001","18.4736","0.001","90","","90","","90","","6939.9","0.6","100","","100","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C64 H88 Au2 Cl6 F12 N2 P2 Sb2 -","- C64 H88 Au2 Cl6 F12 N2 P2 Sb2 -","- C256 H352 Au8 Cl24 F48 N8 P8 Sb8 -","4","0.5","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","","0.0913","0.0468","","","0.1034","0.1292","","","","","","1.059","","","","has coordinates","242438","2020-10-21","18:00:00",""
"4132459","10.0473","0.0012","11.3493","0.0014","17.4404","0.0018","100.731","0.004","103.7","0.004","99.465","0.004","1852.5","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H47 Au Cl F6 N P Sb -","- C38 H47 Au Cl F6 N P Sb -","- C76 H94 Au2 Cl2 F12 N2 P2 Sb2 -","2","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","","0.0443","0.0359","","","0.0734","0.0762","","","","","","1.033","","","","has coordinates","242438","2020-10-21","18:00:00",""
"4132460","10.3978","0.0004","10.8778","0.0004","17.7061","0.0007","90.465","0.001","90.583","0.001","94.133","0.001","1997.26","0.13","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C70 H95 Au2 Cl6 F18 N2 O2 P2 Sb3 -","- C70 H95 Au2 Cl6 F18 N2 O2 P2 Sb3 -","- C70 H95 Au2 Cl6 F18 N2 O2 P2 Sb3 -","1","0.5","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","","0.0411","0.0294","","","0.0529","0.056","","","","","","1.01","","","","has coordinates","242438","2020-10-21","18:00:00",""
"4132461","10.2214","0.0004","11.5151","0.0004","16.2248","0.0006","108.902","0.001","99.944","0.001","100.426","0.001","1721.07","0.11","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C35 H44 Au Cl0.86 F9 I0.14 N P Sb -","- C35 H44 Au Cl0.8595 F9 I0.1405 N P Sb -","- C70 H88 Au2 Cl1.719 F18 I0.281 N2 P2 Sb2 -","2","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","","0.71073","MoKα","","0.0459","0.0326","","","0.0604","0.0644","","","","","","1.035","","","","has coordinates,has disorder","242438","2020-10-21","18:00:00",""
"4132462","10.182","0.001","11.4038","0.0013","16.3043","0.0016","109.033","0.004","100.165","0.003","100.426","0.004","1702.7","0.3","100","","100","","","","","","","","","10","P -1","-P 1","2","","","","- C34 H44 Au Br Cl0.77 F6 I0.23 N P Sb -","- C34 H44 Au Br Cl0.7697 F6 I0.2303 N P Sb -","- C68 H88 Au2 Br2 Cl1.5394 F12 I0.4606 N2 P2 Sb2 -","2","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","","0.0348","0.0276","","","0.0582","0.0604","","","","","","1.028","","","","has coordinates,has disorder","242438","2020-10-21","18:00:00",""
"4132463","10.0238","0.0006","11.7115","0.0007","16.7522","0.0011","106.082","0.002","106.45","0.002","97.925","0.002","1761.66","0.19","100","","100","","","","","","","","","10","P -1","-P 1","2","","","","- C35 H44 Au Cl0.95 F9 I0.05 N O P Sb -","- C35 H44 Au Cl0.95 F9 I0.05 N O P Sb -","- C70 H88 Au2 Cl1.9 F18 I0.1 N2 O2 P2 Sb2 -","2","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","","0.0327","0.0267","","","0.0587","0.0611","","","","","","1.026","","","","has coordinates,has disorder","242438","2020-10-21","18:00:00",""
"4132464","10.0424","0.0011","12.023","0.0013","19.663","0.002","101.463","0.003","101.135","0.003","100.103","0.003","2225.8","0.4","100","2","100","","","","","","","","","10","P -1","-P 1","2","","","","- C45 H49 Au Cl0.85 F6 I0.15 N O P Sb -","- C45 H49 Au Cl0.851 F6 I0.149 N O P Sb -","- C90 H98 Au2 Cl1.702 F12 I0.298 N2 O2 P2 Sb2 -","2","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","","0.71073","MoKα","","0.0624","0.046","","","0.0956","0.1054","","","","","","1.114","","","","has coordinates,has disorder","242438","2020-10-21","18:00:00",""
"4132465","9.5384","0.001","13.2116","0.0013","15.7777","0.0011","112.015","0.002","105.708","0.002","91.052","0.003","1758.4","0.3","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C34 H47 Au Cl F6 N O2 P Sb -","- C34 H47 Au Cl F6 N O2 P Sb -","- C68 H94 Au2 Cl2 F12 N2 O4 P2 Sb2 -","2","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","","0.0337","0.0256","","","0.0516","0.0543","","","","","","1.024","","","","has coordinates","242438","2020-10-21","18:00:00",""
"4132466","10.8154","0.0005","18.7822","0.001","11.4495","0.0006","90","","109.742","0.001","90","","2189.11","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Fe O3 -","- C28 H26 Fe O3 -","- C112 H104 Fe4 O12 -","4","1","","Dong, Zhe; Lu, Gang; Wang, Jianchun; Liu, Peng; Dong, Guangbin","Modular ipso/ ortho Difunctionalization of Aryl Bromides via Palladium/Norbornene Cooperative Catalysis.","Journal of the American Chemical Society","2018","140","27","8551","8562","10.1021/jacs.8b04153","","","0.71073","MoKα","","0.0481","0.0341","","","0.0737","0.0788","","","","","","1.038","","","","has coordinates","242439","2020-10-21","18:00:00",""
"4132467","11.1681","0.0005","20.1957","0.0009","20.2872","0.0009","100.49","0.001","94.456","0.001","97.41","0.001","4437.6","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H138 Cl8 N6 O5 Pt -","- C82 H138 Cl8 N6 O5 Pt -","- C164 H276 Cl16 N12 O10 Pt2 -","2","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","0.71073","MoKα","","0.031","0.0251","","","0.0586","0.0616","","","","","","1.071","","","","has coordinates,has disorder","242440","2020-10-21","18:00:00",""
"4132468","9.9014","0.0005","11.376","0.0006","14.3487","0.0009","95.5136","0.0019","106.474","0.0013","96.7739","0.0014","1524.74","0.15","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H68 Au Br4 Cl3 N4 O7 -","- C61 H68 Au Br4 Cl3 N4 O7 -","- C61 H68 Au Br4 Cl3 N4 O7 -","1","0.5","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","0.71073","MoKα","","0.0284","0.0251","","","0.0668","0.0687","","","","","","1.062","","","","has coordinates,has disorder","242441","2020-10-21","18:00:00",""
"4132469","21.626","0.003","15.426","0.002","22.964","0.003","90","","90","","90","","7660.9","1.8","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C67 H99 Au Cl13 N5 O4 -","- C67 H99 Au Cl13 N5 O4 -","- C268 H396 Au4 Cl52 N20 O16 -","4","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","0.71073","MoKα","","0.047","0.0274","","","0.0526","0.0578","","","","","","1.015","","","","has coordinates","242442","2020-10-21","18:00:00",""
"4132470","17.2894","0.0003","11.2213","0.0002","27.5815","0.0007","90","","90","","90","","5351.07","0.19","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C52.5 H73 Cl N4 O6 S2 -","- C52.5 H73 Cl N4 O6 S2 -","- C210 H292 Cl4 N16 O24 S8 -","4","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","1.54184","CuKα","","0.0816","0.0724","","","0.1954","0.2057","","","","","","1.057","","","","has coordinates,has disorder","242443","2020-10-21","18:00:00",""
"4132471","21.768","0.003","15.419","0.002","23.157","0.003","90","","90","","90","","7772.4","1.8","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C67 H99 Au Br4 Cl9 N5 O4 -","- C67 H99 Au Br4 Cl9 N5 O4 -","- C268 H396 Au4 Br16 Cl36 N20 O16 -","4","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","0.71073","MoKα","","0.0687","0.0462","","","0.1053","0.1163","","","","","","1.034","","","","has coordinates","242444","2020-10-21","18:00:00",""
"4132472","11.4123","0.0007","13.8383","0.0008","14.9653","0.0009","102.685","0.002","95.062","0.002","112.999","0.002","2082.2","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H132 Cl6 N6 O4 Pd2 -","- C80 H132 Cl6 N6 O4 Pd2 -","- C80 H132 Cl6 N6 O4 Pd2 -","1","0.5","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","0.71073","MoKα","","0.0514","0.041","","","0.1049","0.1106","","","","","","1.034","","","","has coordinates","242445","2020-10-21","18:00:00",""
"4132473","9.4815","0.0013","11.0063","0.0015","14.569","0.0019","83.563","0.002","83.05","0.002","80.654","0.002","1482.5","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H59 Au Cl10 N4 O6 -","- C58 H59 Au Cl10 N4 O6 -","- C58 H59 Au Cl10 N4 O6 -","1","0.5","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","0.71073","MoKα","","0.0377","0.035","","","0.0856","0.0871","","","","","","1.035","","","","has coordinates","242446","2020-10-21","18:00:00",""
"4132474","9.55","0.002","31.109","0.008","19.849","0.005","90","","90.768","0.003","90","","5896","2","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H46 Cu F6 N9 P Zn -","- C63 H46 Cu F6 N9 P Zn -","- C252 H184 Cu4 F24 N36 P4 Zn4 -","4","1","","Sil, Debangsu; Martinez, Zachary; Ding, Shengda; Bhuvanesh, Nattamai; Darensbourg, Donald J.; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide Docking and Linkage Isomerism in Models for the Artificial [FeFe]-Hydrogenase Maturation Process.","Journal of the American Chemical Society","2018","140","31","9904","9911","10.1021/jacs.8b04189","","","0.71073","MoKα","","0.06","0.0541","","","0.1206","0.124","","","","","","1.195","","","","has coordinates,has disorder","242447","2020-10-21","18:00:00",""
"4132475","14.1151","0.0006","18.5419","0.0008","19.9898","0.0008","90","","90.583","0.002","90","","5231.5","0.4","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H48 Cl2 Cu N9 Zn -","- C64 H48 Cl2 Cu N9 Zn -","- C256 H192 Cl8 Cu4 N36 Zn4 -","4","1","","Sil, Debangsu; Martinez, Zachary; Ding, Shengda; Bhuvanesh, Nattamai; Darensbourg, Donald J.; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide Docking and Linkage Isomerism in Models for the Artificial [FeFe]-Hydrogenase Maturation Process.","Journal of the American Chemical Society","2018","140","31","9904","9911","10.1021/jacs.8b04189","","","0.71073","MoKα","","0.0721","0.0461","","","0.092","0.105","","","","","","1.04","","","","has coordinates","242448","2020-10-21","18:00:00",""
"4132476","19.4349","0.0007","11.9765","0.0004","14.9472","0.0005","90","","91.307","0.002","90","","3478.2","0.2","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C58 H54 Cu2 F6 Fe4 N12 O10 P S4 -","- C58 H54 Cu2 F6 Fe4 N12 O10 P S4 -","- C116 H108 Cu4 F12 Fe8 N24 O20 P2 S8 -","2","0.5","","Sil, Debangsu; Martinez, Zachary; Ding, Shengda; Bhuvanesh, Nattamai; Darensbourg, Donald J.; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide Docking and Linkage Isomerism in Models for the Artificial [FeFe]-Hydrogenase Maturation Process.","Journal of the American Chemical Society","2018","140","31","9904","9911","10.1021/jacs.8b04189","","","1.54178","CuKα","","0.0687","0.0584","","","0.146","0.1526","","","","","","1.086","","","","has coordinates,has disorder","242449","2020-10-21","18:00:00",""
"4132477","8.954","0.003","13.437","0.004","24.882","0.008","90","","90","","90","","2993.7","1.7","110","","110","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Cu Fe2 N5 O5 S2 -","- C27 H24 Cu Fe2 N5 O5 S2 -","- C108 H96 Cu4 Fe8 N20 O20 S8 -","4","1","","Sil, Debangsu; Martinez, Zachary; Ding, Shengda; Bhuvanesh, Nattamai; Darensbourg, Donald J.; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide Docking and Linkage Isomerism in Models for the Artificial [FeFe]-Hydrogenase Maturation Process.","Journal of the American Chemical Society","2018","140","31","9904","9911","10.1021/jacs.8b04189","","","0.71073","MoKα","","0.0725","0.0634","","","0.1261","0.13","","","","","","1.126","","","","has coordinates","242450","2020-10-21","18:00:00",""
"4132478","11.416","0.003","11.745","0.003","12.139","0.003","76.321","0.011","70.418","0.01","83.516","0.011","1489","0.7","143","","143","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H43 Al Cl N3 P2 -","- C27 H43 Al Cl N3 P2 -","- C54 H86 Al2 Cl2 N6 P4 -","2","1","","Hara, Naofumi; Saito, Teruhiko; Semba, Kazuhiko; Kuriakose, Nishamol; Zheng, Hong; Sakaki, Shigeyoshi; Nakao, Yoshiaki","Rhodium Complexes Bearing PAlP Pincer Ligands.","Journal of the American Chemical Society","2018","140","23","7070","7073","10.1021/jacs.8b04199","","","0.71075","MoKα","","0.0592","0.0391","","","0.0918","0.1002","","","","","","0.973","","","","has coordinates","242451","2020-10-21","18:00:00",""
"4132479","16.1981","","11.3885","","18.3501","","90","","106.008","","90","","3253.82","","143","","143","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H47 Al N4 P2 Rh -","- C32 H47 Al N4 P2 Rh -","- C128 H188 Al4 N16 P8 Rh4 -","4","1","","Hara, Naofumi; Saito, Teruhiko; Semba, Kazuhiko; Kuriakose, Nishamol; Zheng, Hong; Sakaki, Shigeyoshi; Nakao, Yoshiaki","Rhodium Complexes Bearing PAlP Pincer Ligands.","Journal of the American Chemical Society","2018","140","23","7070","7073","10.1021/jacs.8b04199","","","0.71075","MoKα","","0.056","0.045","","","0.1322","0.1409","","","","","","0.975","","","","has coordinates,has disorder","242452","2020-10-21","18:00:00",""
"4132480","9.0006","0.0014","15.272","0.003","22.694","0.004","85.964","0.004","84.286","0.005","86.941","0.005","3092.9","0.9","143","","143","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H86 Al2 N6 O4 P4 Rh2 -","- C58 H86 Al2 N6 O4 P4 Rh2 -","- C116 H172 Al4 N12 O8 P8 Rh4 -","2","1","","Hara, Naofumi; Saito, Teruhiko; Semba, Kazuhiko; Kuriakose, Nishamol; Zheng, Hong; Sakaki, Shigeyoshi; Nakao, Yoshiaki","Rhodium Complexes Bearing PAlP Pincer Ligands.","Journal of the American Chemical Society","2018","140","23","7070","7073","10.1021/jacs.8b04199","","","0.71075","MoKα","","0.0771","0.0524","","","0.1018","0.1146","","","","","","1.045","","","","has coordinates,has disorder","242453","2020-10-21","18:00:00",""
"4132481","11.1835","0.0015","12.0058","0.0016","13.1647","0.0017","79.115","0.004","76.906","0.004","81.612","0.004","1680.8","0.4","143","","143","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H45 Al Cl4 N3 P2 Rh -","- C28 H45 Al Cl4 N3 P2 Rh -","- C56 H90 Al2 Cl8 N6 P4 Rh2 -","2","1","","Hara, Naofumi; Saito, Teruhiko; Semba, Kazuhiko; Kuriakose, Nishamol; Zheng, Hong; Sakaki, Shigeyoshi; Nakao, Yoshiaki","Rhodium Complexes Bearing PAlP Pincer Ligands.","Journal of the American Chemical Society","2018","140","23","7070","7073","10.1021/jacs.8b04199","","","0.71075","MoKα","","0.0426","0.031","","","0.0615","0.0652","","","","","","0.948","","","","has coordinates","242454","2020-10-21","18:00:00",""
"4132482","22.96","0.004","20.862","0.003","19.584","0.003","90","","97.508","0.002","90","","9300","3","296","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H108 Au14 Cd S12 -","- C48 H108 Au14 Cd S12 -","- C192 H432 Au56 Cd4 S48 -","4","0.5","","Yang, Sha; Chen, Shuang; Xiong, Lin; Liu, Chong; Yu, Haizhu; Wang, Shuxin; Rosi, Nathaniel L.; Pei, Yong; Zhu, Manzhou","Total Structure Determination of Au<sub>16</sub>(S-Adm)<sub>12</sub> and Cd<sub>1</sub>Au<sub>14</sub>(S tBu)<sub>12</sub> and Implications for the Structure of Au<sub>15</sub>(SR)<sub>13</sub>.","Journal of the American Chemical Society","2018","140","35","10988","10994","10.1021/jacs.8b04257","","","0.71073","MoKα","","0.1033","0.054","","","0.1287","0.1403","","","","","","0.985","","","","has coordinates,has disorder","242455","2020-10-21","18:00:00",""
"4132483","16.476","0.002","16.719","0.002","30.157","0.004","80.994","0.002","82.064","0.002","62.481","0.002","7255.9","1.6","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C123 H185 Au14 Cd Cl6 S12 -","- C123 H185 Au14 Cd Cl6 S12 -","- C246 H370 Au28 Cd2 Cl12 S24 -","2","1","","Yang, Sha; Chen, Shuang; Xiong, Lin; Liu, Chong; Yu, Haizhu; Wang, Shuxin; Rosi, Nathaniel L.; Pei, Yong; Zhu, Manzhou","Total Structure Determination of Au<sub>16</sub>(S-Adm)<sub>12</sub> and Cd<sub>1</sub>Au<sub>14</sub>(S tBu)<sub>12</sub> and Implications for the Structure of Au<sub>15</sub>(SR)<sub>13</sub>.","Journal of the American Chemical Society","2018","140","35","10988","10994","10.1021/jacs.8b04257","","","0.71073","MoKα","","0.1413","0.0679","","","0.1542","0.1719","","","","","","1.002","","","","has coordinates,has disorder","242456","2020-10-21","18:00:00",""
"4132484","29.202","0.003","18.1799","0.0012","27.6543","0.0018","90","","97.913","0.006","90","","14542","2","300","2","299.84","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C120 H180 Au16 S12 -","- C120 H180 Au16 S12 -","- C480 H720 Au64 S48 -","4","1","","Yang, Sha; Chen, Shuang; Xiong, Lin; Liu, Chong; Yu, Haizhu; Wang, Shuxin; Rosi, Nathaniel L.; Pei, Yong; Zhu, Manzhou","Total Structure Determination of Au<sub>16</sub>(S-Adm)<sub>12</sub> and Cd<sub>1</sub>Au<sub>14</sub>(S tBu)<sub>12</sub> and Implications for the Structure of Au<sub>15</sub>(SR)<sub>13</sub>.","Journal of the American Chemical Society","2018","140","35","10988","10994","10.1021/jacs.8b04257","","","1.54178","CuKα","","0.1726","0.1078","","","0.2363","0.2717","","","","","","1.095","","","","has coordinates","242457","2020-10-21","18:00:00",""
"4132485","23.2664","0.0008","32.9221","0.0012","41.4807","0.0013","90","","90","","90","","31773.3","1.9","120","2","120","","","","","","","","","4","I m m m","-I 2 2","71","","","","- C117 H62 O32 Zr6 -","- C117 H62 O32 Zr6 -","- C468 H248 O128 Zr24 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","synchrotron","","0.1142","0.0906","","","0.2848","0.3042","","","","","","1.091","","","","has coordinates","242458","2020-10-21","18:00:00",""
"4132486","22.327","0.006","33.727","0.009","20.888","0.006","90","","90","","90","","15729","7","296","2","296","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C44 H22 O16 Zr3 -","- C44 H22 O16 Zr3 -","- C176 H88 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","synchrotron","","0.1429","0.1085","","","0.3082","0.371","","","","","","1.632","","","","has coordinates","242459","2020-10-21","18:00:00",""
"4132487","23.566","","33.312","","20.631","","90","","90","","90","","16196","","296","2","296","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C53 H23 N O16 Zr3 -","- C53 H23 N O16 Zr3 -","- C212 H92 N4 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","Synchrotron","","0.1419","0.1055","","","0.28","0.3329","","","","","","1.392","","","","has coordinates","242460","2020-10-21","18:00:00",""
"4132488","23.159","0.003","33.299","0.004","20.824","0.002","90","","90","","90","","16059","3","273","2","273.15","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C58 H30 O16 Zr3 -","- C58 H30 O16 Zr3 -","- C232 H120 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","","","0.184","0.1238","","","0.3337","0.4419","","","","","","1.793","","","","has coordinates","242461","2020-10-21","18:00:00",""
"4132489","23.1484","0.0012","33.0429","0.0017","20.6518","0.0011","90","","90","","90","","15796.4","1.4","296","2","296","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C55 H28 O16 Zr3 -","- C55 H28 O16 Zr3 -","- C220 H112 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","Synchrotron","","0.1321","0.0905","","","0.2611","0.3141","","","","","","1.309","","","","has coordinates","242462","2020-10-21","18:00:00",""
"4132490","23.361","0.003","33.409","0.004","20.691","0.002","90","","90","","90","","16149","3","296","2","296.15","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C54 H26 O18 Zr3 -","- C54 H26 O18 Zr3 -","- C216 H104 O72 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41325","","","0.1032","0.0886","","","0.2616","0.2858","","","","","","1.109","","","","has coordinates","242463","2020-10-21","18:00:00",""
"4132491","23.1544","0.0012","33.1052","0.0017","40.833","0.002","90","","90","","90","","31300","3","120","2","120","","","","","","","","","4","I m m m","-I 2 2","71","","","","- C125 H60 O32 Zr6 -","- C125 H60 O32 Zr6 -","- C500 H240 O128 Zr24 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","synchrotron","","0.1245","0.0856","","","0.2678","0.3054","","","","","","1.092","","","","has coordinates","242464","2020-10-21","18:00:00",""
"4132492","21.1374","0.0011","33.1766","0.0018","21.4671","0.001","90","","90","","90","","15054.2","1.3","273","2","273.15","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C60 H30 O24 Zr3 -","- C60 H30 O16 Zr3 -","- C240 H120 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","synchrotron","","0.1176","0.1027","","","0.326","0.3457","","","","","","1.483","","","","has coordinates","242465","2020-10-21","18:00:00",""
"4132493","20.2175","0.0009","34.4927","0.0015","21.0753","0.0009","90","","90","","90","","14697","1.1","110","2","110","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C44 H22 O16 Zr3 -","- C44 H22 O16 Zr3 -","- C176 H88 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.515","Synchrotron","","0.0776","0.0513","","","0.1522","0.1568","","","","","","1.006","","","","has coordinates","242466","2020-10-21","18:00:00",""
"4132494","20.5524","0.0017","34.409","0.002","21.016","0.0016","90","","90","","90","","14862.3","1.9","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C44 H22 Hf3 O16 -","- C44 H22 Hf3 O16 -","- C176 H88 Hf12 O64 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","synchrotron","","0.0808","0.0723","","","0.2391","0.2524","","","","","","1.183","","","","has coordinates","242467","2020-10-21","18:00:00",""
"4132495","23.2646","0.0012","32.332","0.0016","21.5466","0.001","90","","90","","90","","16207.2","1.4","120","2","120","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C63 H34 O16 Zr3 -","- C63 H33 O16 Zr3 -","- C252 H132 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41325","synchrotron","","0.0866","0.0767","","","0.249","0.264","","","","","","1.141","","","","has coordinates,has disorder","242468","2020-10-21","18:00:00",""
"4132496","28.3931","0.0003","28.3931","0.0003","84.817","0.003","90","","90","","90","","68377","3","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C174 H211 Br6 N33 O32 Zn3 -","- C174 H201 Br6 N33 O32 Zn3 -","- C1392 H1608 Br48 N264 O256 Zn24 -","8","1","","Yamagami, Motoya; Sawada, Tomohisa; Fujita, Makoto","Synthetic β-Barrel by Metal-Induced Folding and Assembly.","Journal of the American Chemical Society","2018","140","28","8644","8647","10.1021/jacs.8b04284","","","1","Synchrotron","","0.3104","0.2404","","","0.5093","0.5531","","","","","","1.61","","","","has coordinates,has disorder","242469","2020-10-21","18:00:00",""
"4132497","28.3964","0.0003","28.3964","0.0003","84.3978","0.0018","90","","90","","90","","68054.6","1.8","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C174 H201.88 Cl6 N33 O30.5 Zn3 -","- C174 H201 Cl6 N33 O30.5 Zn3 -","- C1392 H1608 Cl48 N264 O244 Zn24 -","8","1","","Yamagami, Motoya; Sawada, Tomohisa; Fujita, Makoto","Synthetic β-Barrel by Metal-Induced Folding and Assembly.","Journal of the American Chemical Society","2018","140","28","8644","8647","10.1021/jacs.8b04284","","","1","Synchrotron","","0.3474","0.2744","","","0.5541","0.5938","","","","","","1.951","","","","has coordinates","242470","2020-10-21","18:00:00",""
"4132498","28.4415","0.0003","28.4415","0.0003","85.872","0.002","90","","90","","90","","69463.5","1.9","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C174 H202 I6 N33 O31 Zn3 -","- C174 H201 I6 N33 O31 Zn3 -","- C1392 H1608 I48 N264 O248 Zn24 -","8","1","","Yamagami, Motoya; Sawada, Tomohisa; Fujita, Makoto","Synthetic β-Barrel by Metal-Induced Folding and Assembly.","Journal of the American Chemical Society","2018","140","28","8644","8647","10.1021/jacs.8b04284","","","1","Synchrotron","","0.257","0.1957","","","0.4512","0.4922","","","","","","1.564","","","","has coordinates,has disorder","242471","2020-10-21","18:00:00",""
"4132499","10.2578","0.0006","13.5871","0.0008","18.479","0.0011","90","","104.03","0.003","90","","2498.7","0.3","100","2","99.97","","","","","","","","","3","P -1","-P 1","2","","","","- C117.71 H134 N16 -","- C116.92 H144 N16 -","- C116.92 H144 N16 -","1","0.5","","Lou, Alexander J.-T.; Righetto, Stefania; Barger, Christopher; Zuccaccia, Cristiano; Cariati, Elena; Macchioni, Alceo; Marks, Tobin J.","Unprecedented Large Hyperpolarizability of Twisted Chromophores in Polar Media.","Journal of the American Chemical Society","2018","140","28","8746","8755","10.1021/jacs.8b04320","","","1.54184","CuKα","","0.0805","0.0791","","","0.2109","0.2125","","","","","","1.089","","","","has coordinates,has disorder","242472","2020-10-21","18:00:00",""
"4132500","9.1171","0.0006","17.2703","0.0014","15.3013","0.0011","90","","100.518","0.004","90","","2368.8","0.3","100","2","99.97","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 N4 -","- C27 H32 N4 -","- C108 H128 N16 -","4","1","","Lou, Alexander J.-T.; Righetto, Stefania; Barger, Christopher; Zuccaccia, Cristiano; Cariati, Elena; Macchioni, Alceo; Marks, Tobin J.","Unprecedented Large Hyperpolarizability of Twisted Chromophores in Polar Media.","Journal of the American Chemical Society","2018","140","28","8746","8755","10.1021/jacs.8b04320","","","1.54178","CuKα","","0.1449","0.1337","","","0.446","0.4662","","","","","","2.109","","","","has coordinates,has disorder","242474","2020-10-21","18:00:00",""
"4132501","9.6621","0.001","14.6897","0.0017","17.747","0.002","90","","104.666","0.005","90","","2436.8","0.5","100","2","99.97","","","","","","","","","3","P -1","-P 1","2","","","","- C112 H136 N16 -","- C112 H136 N16 -","- C112 H136 N16 -","1","0.5","","Lou, Alexander J.-T.; Righetto, Stefania; Barger, Christopher; Zuccaccia, Cristiano; Cariati, Elena; Macchioni, Alceo; Marks, Tobin J.","Unprecedented Large Hyperpolarizability of Twisted Chromophores in Polar Media.","Journal of the American Chemical Society","2018","140","28","8746","8755","10.1021/jacs.8b04320","","","1.54184","CuKα","","0.1333","0.1313","","","0.3236","0.3247","","","","","","1.081","","","","has coordinates","242475","2020-10-21","18:00:00",""
"4132502","8.4233","0.0013","13.0818","0.0017","16.344","0.003","71.392","0.004","89.569","0.005","77.201","0.004","1660.5","0.5","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H37 Cl2 Cu N11 O4 -","- C31 H37 Cl2 Cu N11 O4 -","- C62 H74 Cl4 Cu2 N22 O8 -","2","1","","Ghattas, Wadih; Dubosclard, Virginie; Wick, Arne; Bendelac, Audrey; Guillot, Régis; Ricoux, Rémy; Mahy, Jean-Pierre","Receptor-Based Artificial Metalloenzymes on Living Human Cells.","Journal of the American Chemical Society","2018","140","28","8756","8762","10.1021/jacs.8b04326","","x-ray","0.71073","MoKα","","0.3697","0.0949","","","0.123","0.1662","","","","","","0.926","","","","has coordinates,has disorder","242476","2020-10-21","18:00:00",""
"4132503","8.9854","0.0011","13.222","0.0016","16.513","0.002","68.563","0.002","79.735","0.002","87.455","0.002","1796.4","0.4","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C45 H26 F12 O2 -","- C45 H26 F12 O2 -","- C90 H52 F24 O4 -","2","1","","Bedi, Anjan; Shimon, Linda J. W.; Gidron, Ori","Helically Locked Tethered Twistacenes.","Journal of the American Chemical Society","2018","140","26","8086","8090","10.1021/jacs.8b04447","","","0.71073","MoKα","","0.0555","0.0474","","","0.117","0.1234","","","","","","1.022","","","","has coordinates,has disorder","242477","2020-10-21","18:00:00",""
"4132504","15.2965","0.0002","15.9067","0.0003","16.5026","0.0003","73.197","0.001","88.851","0.001","78.149","0.001","3758.68","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H30 F12 O2 -","- C47 H30 F12 O2 -","- C188 H120 F48 O8 -","4","2","","Bedi, Anjan; Shimon, Linda J. W.; Gidron, Ori","Helically Locked Tethered Twistacenes.","Journal of the American Chemical Society","2018","140","26","8086","8090","10.1021/jacs.8b04447","","","1.54184","CuKα","","0.0598","0.0484","","","0.1291","0.1366","","","","","","1.049","","","","has coordinates,has disorder","242478","2020-10-21","18:00:00",""
"4132505","16.2853","0.0008","15.2445","0.0007","17.0808","0.0009","90","","107.963","0.001","90","","4033.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H35 F12 O2 -","- C49 H35 F12 O2 -","- C196 H140 F48 O8 -","4","1","","Bedi, Anjan; Shimon, Linda J. W.; Gidron, Ori","Helically Locked Tethered Twistacenes.","Journal of the American Chemical Society","2018","140","26","8086","8090","10.1021/jacs.8b04447","","","0.71073","MoKα","","0.1174","0.0703","","","0.1725","0.2055","","","","","","1.028","","","","has coordinates,has disorder","242479","2020-10-21","18:00:00",""
"4132506","17.7003","0.0008","12.0897","0.0006","8.2601","0.0004","90","","90","","90","","1767.59","0.15","93","2","93","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C26 H19 N O -","- C26 H19 N O -","- C104 H76 N4 O4 -","4","1","","Bowring, Miriam A.; Bradshaw, Liam R.; Parada, Giovanny A.; Pollock, Timothy P.; Fernández-Terán, Ricardo J; Kolmar, Scott S.; Mercado, Brandon Q.; Schlenker, Cody W.; Gamelin, Daniel R.; Mayer, James M.","Activationless Multiple-Site Concerted Proton-Electron Tunneling.","Journal of the American Chemical Society","2018","140","24","7449","7452","10.1021/jacs.8b04455","","","1.54184","CuKα","","0.0772","0.0679","","","0.1546","0.1598","","","","","","1.157","","","","has coordinates","242480","2020-10-21","18:00:00",""
"4132507","11.4235","0.0005","20.7153","0.0009","39.4855","0.0017","90","","90","","90","","9343.9","0.7","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H32 Cl F8 N4 O1.5 Ru -","- C50 H32 Cl F8 N4 O1.5 Ru -","- C400 H256 Cl8 F64 N32 O12 Ru8 -","8","2","","Shing, Ka-Pan; Cao, Bei; Liu, Yungen; Lee, Hung Kay; Li, Ming-De; Phillips, David Lee; Chang, Xiao-Yong; Che, Chi-Ming","Arylruthenium(III) Porphyrin-Catalyzed C-H Oxidation and Epoxidation at Room Temperature and [Ru<sup>V</sup>(Por)(O)(Ph)] Intermediate by Spectroscopic Analysis and Density Functional Theory Calculations.","Journal of the American Chemical Society","2018","140","22","7032","7042","10.1021/jacs.8b04470","","","1.54178","CuKα","","0.0674","0.0565","","","0.1668","0.1774","","","","","","1.126","","","","has coordinates,has disorder","242481","2020-10-21","18:00:00",""
"4132508","20.0727","0.0013","12.7833","0.0008","20.2135","0.0013","90","","109.087","0.0017","90","","4901.6","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H29 F8 N4 O2 Ru -","- C50 H29 F8 N4 O2 Ru -","- C200 H116 F32 N16 O8 Ru4 -","4","0.5","","Shing, Ka-Pan; Cao, Bei; Liu, Yungen; Lee, Hung Kay; Li, Ming-De; Phillips, David Lee; Chang, Xiao-Yong; Che, Chi-Ming","Arylruthenium(III) Porphyrin-Catalyzed C-H Oxidation and Epoxidation at Room Temperature and [Ru<sup>V</sup>(Por)(O)(Ph)] Intermediate by Spectroscopic Analysis and Density Functional Theory Calculations.","Journal of the American Chemical Society","2018","140","22","7032","7042","10.1021/jacs.8b04470","","","1.54178","CuKα","","0.0604","0.0574","","","0.1572","0.1598","","","","","","1.13","","","","has coordinates,has disorder","242482","2020-10-21","18:00:00",""
"4132509","12.5729","0.0012","21.6205","0.0016","21.91","0.002","90","","95.011","0.004","90","","5933.1","0.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H52 Cl8 N4 O2 Ru -","- C61 H52 Cl8 N4 O2 Ru -","- C244 H208 Cl32 N16 O8 Ru4 -","4","1","","Shing, Ka-Pan; Cao, Bei; Liu, Yungen; Lee, Hung Kay; Li, Ming-De; Phillips, David Lee; Chang, Xiao-Yong; Che, Chi-Ming","Arylruthenium(III) Porphyrin-Catalyzed C-H Oxidation and Epoxidation at Room Temperature and [Ru<sup>V</sup>(Por)(O)(Ph)] Intermediate by Spectroscopic Analysis and Density Functional Theory Calculations.","Journal of the American Chemical Society","2018","140","22","7032","7042","10.1021/jacs.8b04470","","","1.54178","CuKα","","0.0781","0.0641","","","0.1642","0.1784","","","","","","1.069","","","","has coordinates,has disorder","242483","2020-10-21","18:00:00",""
"4132510","10.82435","0.00018","20.5867","0.0003","33.7361","0.0006","90","","95.9552","0.0017","90","","7477.1","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C122 H134 F24 N4 O20 P4 -","- C122 H134 F24 N4 O20 P4 -","- C244 H268 F48 N8 O40 P8 -","2","0.5","","Wessels, Hanlie R.; Slebodnick, Carla; Gibson, Harry W.","Viologen-Based Rotaxanes from Dibenzo-30-crown-10.","Journal of the American Chemical Society","2018","140","23","7358","7370","10.1021/jacs.8b04477","","x-ray","1.54184","CuKα","","0.0687","0.0572","","","0.1608","0.1691","","","","","","1.032","","","","has coordinates,has disorder","242484","2020-10-21","18:00:00",""
"4132511","17.3939","0.0001","25.8131","0.0001","21.8115","0.0001","90","","91.63","","90","","9789.19","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H35.5 Au O0.25 P -","- C24 H35.5 Au O0.25 P -","- C384 H568 Au16 O4 P16 -","16","4","","Rocchigiani, Luca; Fernandez-Cestau, Julio; Chambrier, Isabelle; Hrobárik, Peter; Bochmann, Manfred","Unlocking Structural Diversity in Gold(III) Hydrides: Unexpected Interplay of cis/ trans-Influence on Stability, Insertion Chemistry, and NMR Chemical Shifts.","Journal of the American Chemical Society","2018","140","26","8287","8302","10.1021/jacs.8b04478","","x-ray","1.54184","CuKα","","0.0327","0.0323","","","0.0786","0.0789","","","","","","1.115","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4132512","10.3057","0.0001","14.2256","0.0001","19.7173","0.0002","90","","90","","90","","2890.65","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 Au O4 P -","- C29 H40 Au O4 P -","- C116 H160 Au4 O16 P4 -","4","1","","Rocchigiani, Luca; Fernandez-Cestau, Julio; Chambrier, Isabelle; Hrobárik, Peter; Bochmann, Manfred","Unlocking Structural Diversity in Gold(III) Hydrides: Unexpected Interplay of cis/ trans-Influence on Stability, Insertion Chemistry, and NMR Chemical Shifts.","Journal of the American Chemical Society","2018","140","26","8287","8302","10.1021/jacs.8b04478","","x-ray","0.71073","MoKα","","0.0276","0.0271","","","0.0636","0.0639","","","","","","1.046","","","","has coordinates","242485","2020-10-21","18:00:00",""
"4132513","20.9189","0.0002","17.0445","0.0002","26.4122","0.0003","90","","90","","90","","9417.33","0.18","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H67 Au F5 N O4 -","- C48 H67 Au F5 N O4 -","- C384 H536 Au8 F40 N8 O32 -","8","1","","Rocchigiani, Luca; Fernandez-Cestau, Julio; Chambrier, Isabelle; Hrobárik, Peter; Bochmann, Manfred","Unlocking Structural Diversity in Gold(III) Hydrides: Unexpected Interplay of cis/ trans-Influence on Stability, Insertion Chemistry, and NMR Chemical Shifts.","Journal of the American Chemical Society","2018","140","26","8287","8302","10.1021/jacs.8b04478","","x-ray","0.71075","MoKα","","0.0819","0.061","","","0.1428","0.1547","","","","","","1.034","","","","has coordinates","242485","2020-10-21","18:00:00",""
"4132514","14.6204","0.0002","5.968","0.0001","19.8075","0.0002","90","","98.147","0.001","90","","1710.85","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Au2 O2 -","- C40 H50 Au2 O2 -","- C80 H100 Au4 O4 -","2","0.5","","Rocchigiani, Luca; Fernandez-Cestau, Julio; Chambrier, Isabelle; Hrobárik, Peter; Bochmann, Manfred","Unlocking Structural Diversity in Gold(III) Hydrides: Unexpected Interplay of cis/ trans-Influence on Stability, Insertion Chemistry, and NMR Chemical Shifts.","Journal of the American Chemical Society","2018","140","26","8287","8302","10.1021/jacs.8b04478","","x-ray","0.71073","MoKα","","0.0234","0.0223","","","0.0494","0.0497","","","","","","1.241","","","","has coordinates","242485","2020-10-21","18:00:00",""
"4132515","10.4674","0.0001","11.8922","0.0001","22.9414","0.0003","90","","100.833","0.001","90","","2804.86","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Au2 P2 -","- C26 H42 Au2 P2 -","- C104 H168 Au8 P8 -","4","1","","Rocchigiani, Luca; Fernandez-Cestau, Julio; Chambrier, Isabelle; Hrobárik, Peter; Bochmann, Manfred","Unlocking Structural Diversity in Gold(III) Hydrides: Unexpected Interplay of cis/ trans-Influence on Stability, Insertion Chemistry, and NMR Chemical Shifts.","Journal of the American Chemical Society","2018","140","26","8287","8302","10.1021/jacs.8b04478","","x-ray","1.54184","CuKα","","0.0282","0.0255","","","0.0681","0.0694","","","","","","1.082","","","","has coordinates","242485","2020-10-21","18:00:00",""
"4132516","10.289","0.002","37.957","0.006","9.791","0.002","90","","99.355","0.009","90","","3772.9","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H64 Ni O2 P2 -","- C41 H64 Ni O2 P2 -","- C164 H256 Ni4 O8 P8 -","4","1","","Somerville, Rosie J.; Hale, Lillian V. A.; Gómez-Bengoa, Enrique; Burés, Jordi; Martin, Ruben","Intermediacy of Ni-Ni Species in sp<sup>2</sup> C-O Bond Cleavage of Aryl Esters: Relevance in Catalytic C-Si Bond Formation.","Journal of the American Chemical Society","2018","140","28","8771","8780","10.1021/jacs.8b04479","","","0.71073","MoKα","","0.067","0.0431","","","0.085","0.0948","","","","","","0.983","","","","has coordinates","242486","2020-10-21","18:00:00",""
"4132517","32.625","0.002","9.9735","0.0007","28.5895","0.0014","90","","90","","90","","9302.6","1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C51 H82 Ni2 O2 P2 -","- C51 H82 Ni2 O2 P2 -","- C408 H656 Ni16 O16 P16 -","8","1","","Somerville, Rosie J.; Hale, Lillian V. A.; Gómez-Bengoa, Enrique; Burés, Jordi; Martin, Ruben","Intermediacy of Ni-Ni Species in sp<sup>2</sup> C-O Bond Cleavage of Aryl Esters: Relevance in Catalytic C-Si Bond Formation.","Journal of the American Chemical Society","2018","140","28","8771","8780","10.1021/jacs.8b04479","","","0.71073","MoKα","","0.204","0.0682","","","0.0982","0.1356","","","","","","0.936","","","","has coordinates,has disorder","242487","2020-10-21","18:00:00",""
"4132518","10.9948","0.0005","11.8656","0.0005","12.9686","0.0006","67.3623","0.0009","76.229","0.001","70.3121","0.0011","1458.77","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H102 Ni2 O8 P2 -","- C56 H102 Ni2 O8 P2 -","- C56 H102 Ni2 O8 P2 -","1","0.5","","Somerville, Rosie J.; Hale, Lillian V. A.; Gómez-Bengoa, Enrique; Burés, Jordi; Martin, Ruben","Intermediacy of Ni-Ni Species in sp<sup>2</sup> C-O Bond Cleavage of Aryl Esters: Relevance in Catalytic C-Si Bond Formation.","Journal of the American Chemical Society","2018","140","28","8771","8780","10.1021/jacs.8b04479","","","0.71073","MoKα","","0.0337","0.0283","","","0.0702","0.0728","","","","","","1.025","","","","has coordinates,has disorder","242488","2020-10-21","18:00:00",""
"4132519","10.1725","0.001","11.8432","0.0012","13.0967","0.0013","87.134","0.001","83.968","0.001","79.187","0.001","1540.5","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H66 P4 Ru Si2 -","- C70 H66 P4 Ru Si2 -","- C70 H66 P4 Ru Si2 -","1","0.5","","Tanaka, Yuya; Kato, Yuya; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka","""Doping"" of Polyyne with an Organometallic Fragment Leads to Highly Conductive Metallapolyyne Molecular Wire.","Journal of the American Chemical Society","2018","140","32","10080","10084","10.1021/jacs.8b04484","","","0.71073","MoKα","","0.0238","0.0221","","","0.0557","0.057","","","","","","1.0504","","","","has coordinates","242489","2020-10-21","18:00:00",""
"4132520","28.328","0.003","17.7028","0.0017","17.0686","0.0016","90","","120.73","0.001","90","","7357.7","1.3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H72 Au2 Cl8 N4 P4 Ru -","- C74 H72 Au2 Cl8 N4 P4 Ru -","- C296 H288 Au8 Cl32 N16 P16 Ru4 -","4","0.5","","Tanaka, Yuya; Kato, Yuya; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka","""Doping"" of Polyyne with an Organometallic Fragment Leads to Highly Conductive Metallapolyyne Molecular Wire.","Journal of the American Chemical Society","2018","140","32","10080","10084","10.1021/jacs.8b04484","","","0.71073","MoKα","","0.0696","0.0537","","","0.1481","0.1613","","","","","","1.0479","","","","has coordinates","242490","2020-10-21","18:00:00",""
"4132521","26.639","0.005","10.0264","0.0017","25.445","0.004","90","","97.375","0.002","90","","6740","2","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H72 P4 Ru Si2 -","- C80 H72 P4 Ru Si2 -","- C320 H288 P16 Ru4 Si8 -","4","0.5","","Tanaka, Yuya; Kato, Yuya; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka","""Doping"" of Polyyne with an Organometallic Fragment Leads to Highly Conductive Metallapolyyne Molecular Wire.","Journal of the American Chemical Society","2018","140","32","10080","10084","10.1021/jacs.8b04484","","","0.71073","MoKα","","0.1291","0.0856","","","0.1806","0.1996","","","","","","1.1077","","","","has coordinates,has disorder","242491","2020-10-21","18:00:00",""
"4132522","9.8224","0.0003","6.6868","0.0002","17.4224","0.0006","90","","91.738","0.002","90","","1143.78","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 N O4 S -","- C25 H33 N O4 S -","- C50 H66 N2 O8 S2 -","2","1","","Grélaud, Simon; Cooper, Phillippa; Feron, Lyman J.; Bower, John F.","Branch-Selective and Enantioselective Iridium-Catalyzed Alkene Hydroarylation via Anilide-Directed C-H Oxidative Addition.","Journal of the American Chemical Society","2018","140","30","9351","9356","10.1021/jacs.8b04627","","","0.71073","MoKα","","0.0474","0.0414","","","0.0991","0.1021","","","","","","1.043","","","","has coordinates","242492","2020-10-21","18:00:00",""
"4132523","5.0523","0.0002","16.423","0.0005","17.2698","0.0005","90","","90","","90","","1432.94","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O S -","- C16 H19 N O S -","- C64 H76 N4 O4 S4 -","4","1","","Grélaud, Simon; Cooper, Phillippa; Feron, Lyman J.; Bower, John F.","Branch-Selective and Enantioselective Iridium-Catalyzed Alkene Hydroarylation via Anilide-Directed C-H Oxidative Addition.","Journal of the American Chemical Society","2018","140","30","9351","9356","10.1021/jacs.8b04627","","","0.71073","MoKα","","0.0356","0.0322","","","0.0762","0.0782","","","","","","1.05","","","","has coordinates","242493","2020-10-21","18:00:00",""
"4132524","5.0568","0.0001","16.3847","0.0004","17.2832","0.0004","90","","90","","90","","1431.98","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O S -","- C16 H19 N O S -","- C64 H76 N4 O4 S4 -","4","1","","Grélaud, Simon; Cooper, Phillippa; Feron, Lyman J.; Bower, John F.","Branch-Selective and Enantioselective Iridium-Catalyzed Alkene Hydroarylation via Anilide-Directed C-H Oxidative Addition.","Journal of the American Chemical Society","2018","140","30","9351","9356","10.1021/jacs.8b04627","","","0.71073","MoKα","","0.0322","0.0284","","","0.0683","0.07","","","","","","1.036","","","","has coordinates","242494","2020-10-21","18:00:00",""
"4132525","36.382","0.003","36.382","0.003","15.489","0.0015","90","","90","","90","","20502","3","90","2","90","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C78 H222 Cu6 Fe2 N12 Ni4 O118 -","- C78 H60 Cu6 Fe2 N12 Ni4 O56 -","- C312 H240 Cu24 Fe8 N48 Ni16 O224 -","4","0.25","","Tejeda-Serrano, María; Mon, Marta; Ross, Bethany; Gonell, Francisco; Ferrando-Soria, Jesús; Corma, Avelino; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio","Isolated Fe(III)-O Sites Catalyze the Hydrogenation of Acetylene in Ethylene Flows under Front-End Industrial Conditions.","Journal of the American Chemical Society","2018","140","28","8827","8832","10.1021/jacs.8b04669","","","0.71073","MoKα","","0.1904","0.1472","","","0.4171","0.4417","","","","","","1.365","","","","has coordinates","242495","2020-10-21","18:00:00",""
"4132526","9.47238","0.0001","9.82216","0.00011","27.9989","0.0003","90","","98.9437","0.001","90","","2573.32","0.05","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 Cl Cu N8 O4 -","- C25 H25 Cl Cu N8 O4 -","- C100 H100 Cl4 Cu4 N32 O16 -","4","1","","Bhadra, Mayukh; Lee, Jung Yoon C.; Cowley, Ryan E.; Kim, Sunghee; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","Intramolecular Hydrogen Bonding Enhances Stability and Reactivity of Mononuclear Cupric Superoxide Complexes.","Journal of the American Chemical Society","2018","140","29","9042","9045","10.1021/jacs.8b04671","","","1.54178","CuKα","","0.0309","0.0281","","","0.0756","0.0776","","","","","","1.033","","","","has coordinates,has disorder","242496","2020-10-21","18:00:00",""
"4132527","20.0003","0.0002","10.59484","0.00012","15.22292","0.00019","90","","99.1402","0.0012","90","","3184.78","0.06","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl2 Cu F5 N5 O9 -","- C28 H26 Cl2 Cu F5 N5 O9 -","- C112 H104 Cl8 Cu4 F20 N20 O36 -","4","1","","Bhadra, Mayukh; Lee, Jung Yoon C.; Cowley, Ryan E.; Kim, Sunghee; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","Intramolecular Hydrogen Bonding Enhances Stability and Reactivity of Mononuclear Cupric Superoxide Complexes.","Journal of the American Chemical Society","2018","140","29","9042","9045","10.1021/jacs.8b04671","","","1.54178","CuKα","","0.0297","0.0274","","","0.0717","0.0737","","","","","","1.018","","","","has coordinates","242497","2020-10-21","18:00:00",""
"4132528","19.8184","0.0003","23.5255","0.0004","23.9366","0.0003","112.269","0.0015","106.518","0.0013","102.112","0.0014","9245.6","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C52.33 H45.83 Cu2 F22 N10 O0.58 Sb2 -","- C52.3307 H45.8267 Cu2 F22 N10 O0.582667 Sb2 -","- C313.984 H274.96 Cu12 F132 N60 O3.496 Sb12 -","6","3","","Bhadra, Mayukh; Lee, Jung Yoon C.; Cowley, Ryan E.; Kim, Sunghee; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","Intramolecular Hydrogen Bonding Enhances Stability and Reactivity of Mononuclear Cupric Superoxide Complexes.","Journal of the American Chemical Society","2018","140","29","9042","9045","10.1021/jacs.8b04671","","","1.54178","CuKα","","0.0505","0.0433","","","0.1087","0.1117","","","","","","0.986","","","","has coordinates,has disorder","242498","2020-10-21","18:00:00",""
"4132529","16.9714","0.0004","25.4865","0.0005","30.1352","0.0007","113.519","0.002","94.289","0.002","95.9659","0.0017","11790.2","0.5","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H21 Cu F8 N8 O3.5 S -","- C26 H21 Cu F8 N8 O3.5 S -","- C416 H336 Cu16 F128 N128 O56 S16 -","16","8","","Bhadra, Mayukh; Lee, Jung Yoon C.; Cowley, Ryan E.; Kim, Sunghee; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","Intramolecular Hydrogen Bonding Enhances Stability and Reactivity of Mononuclear Cupric Superoxide Complexes.","Journal of the American Chemical Society","2018","140","29","9042","9045","10.1021/jacs.8b04671","","","1.54178","CuKα","","0.1092","0.062","","","0.1512","0.1808","","","","","","1","","","","has coordinates,has disorder","242499","2020-10-21","18:00:00",""
"4132530","18.8651","0.0007","19.7892","0.0008","20.6097","0.0008","69.546","0.004","85.836","0.003","67.732","0.004","6655.5","0.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C141 H157 Cl15 N10 O0 Zn2 -","- C141 H157 Cl15 N10 Zn2 -","- C282 H314 Cl30 N20 Zn4 -","2","1","","Nagai, Tomohiro; Takiguchi, Asahi; Ueda, Masayuki; Oda, Kazuma; Hiroto, Satoru; Shinokubo, Hiroshi","X-Shaped Cyclobutane-Linked Tetraporphyrins through a Thermal [2+2] Cycloaddition of Etheno-Fused Diporphyrins.","Journal of the American Chemical Society","2018","140","27","8392","8395","10.1021/jacs.8b04673","","","0.71073","MoKα","","0.1748","0.0938","","","0.2328","0.2856","","","","","","1.014","","","","has coordinates,has disorder","242500","2020-10-21","18:00:00",""
"4132531","25.7724","0.0008","36.8812","0.0009","30.7405","0.0007","90","","96.752","0.002","90","","29016.7","1.3","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C661.53 H697.2 Cl25.75 N36.45 Ni8 -","- C661.536 H697.198 Cl25.756 N36.44 Ni8 -","- C1323.07 H1394.4 Cl51.512 N72.88 Ni16 -","2","0.25","","Nagai, Tomohiro; Takiguchi, Asahi; Ueda, Masayuki; Oda, Kazuma; Hiroto, Satoru; Shinokubo, Hiroshi","X-Shaped Cyclobutane-Linked Tetraporphyrins through a Thermal [2+2] Cycloaddition of Etheno-Fused Diporphyrins.","Journal of the American Chemical Society","2018","140","27","8392","8395","10.1021/jacs.8b04673","","","0.71073","MoKα","","0.094","0.0808","","","0.2203","0.2326","","","","","","1.044","","","","has coordinates,has disorder","242501","2020-10-21","18:00:00",""
"4132532","17.92","0.0002","40.8305","0.0003","18.667","0.0001","90","","105.355","0.001","90","","13170.8","0.2","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C293.49 H319.68 Cl5.64 N19.83 O4.62 Zn4 -","- C293.492 H319.686 Cl5.638 N19.832 O4.622 Zn4 -","- C586.984 H639.372 Cl11.276 N39.664 O9.244 Zn8 -","2","0.5","","Nagai, Tomohiro; Takiguchi, Asahi; Ueda, Masayuki; Oda, Kazuma; Hiroto, Satoru; Shinokubo, Hiroshi","X-Shaped Cyclobutane-Linked Tetraporphyrins through a Thermal [2+2] Cycloaddition of Etheno-Fused Diporphyrins.","Journal of the American Chemical Society","2018","140","27","8392","8395","10.1021/jacs.8b04673","","","0.71073","MoKα","","0.0728","0.059","","","0.162","0.1742","","","","","","1.022","","","","has coordinates,has disorder","242502","2020-10-21","18:00:00",""
"4132533","17.5481","0.0008","20.1172","0.001","13.4385","0.0006","90","","101.468","0.002","90","","4649.3","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 F6 N3 O4 Rh S -","- C24 H14 F6 N3 O4 Rh S -","- C192 H112 F48 N24 O32 Rh8 S8 -","8","1","","Chan, Alan Kwun-Wa; Ng, Maggie; Low, Kam-Hung; Yam, Vivian Wing-Wah","Versatile Control of Directed Supramolecular Assembly via Subtle Changes of the Rhodium(I) Pincer Building Blocks.","Journal of the American Chemical Society","2018","140","26","8321","8329","10.1021/jacs.8b04687","","","1.34138","GaKα","","0.0681","0.0493","","","0.0964","0.1024","","","","","","1.042","","","","has coordinates,has disorder","242503","2020-10-21","18:00:00",""
"4132534","8.3584","0.0004","14.816","0.0005","18.9753","0.0006","90","","90","","90","","2349.86","0.16","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N O4 S -","- C26 H29 N O4 S -","- C104 H116 N4 O16 S4 -","4","1","","Li, Ke; Li, Mao-Lin; Zhang, Qi; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Nickel-Catalyzed Intramolecular Hydroalkenylation of N- and O-Tethered 1,6-Dienes To Form Six-Membered Heterocycles.","Journal of the American Chemical Society","2018","140","24","7458","7461","10.1021/jacs.8b04703","","x-ray","0.71073","MoKα","","0.0563","0.0469","","","0.1096","0.117","","","","","","1.084","","","","has coordinates","242504","2020-10-21","18:00:00",""
"4132535","5.88468","0.00005","24.088","0.0002","11.56387","0.00009","90","","92.8518","0.0007","90","","1637.15","0.02","173.15","","173.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C78 H84 O18 -","6","3","","Li, Ke; Li, Mao-Lin; Zhang, Qi; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Nickel-Catalyzed Intramolecular Hydroalkenylation of N- and O-Tethered 1,6-Dienes To Form Six-Membered Heterocycles.","Journal of the American Chemical Society","2018","140","24","7458","7461","10.1021/jacs.8b04703","","x-ray","1.54184","CuKα","","0.0253","0.025","","","0.0731","0.0734","","","","","","1.041","","","","has coordinates","242505","2020-10-21","18:00:00",""
"4132536","5.6458","0.0003","26.6994","0.0009","6.107","0.0002","90","","115.687","0.006","90","","829.59","0.07","113.15","","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H21 N O2 S -","- C19 H21 N O2 S -","- C38 H42 N2 O4 S2 -","2","1","","Li, Ke; Li, Mao-Lin; Zhang, Qi; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Nickel-Catalyzed Intramolecular Hydroalkenylation of N- and O-Tethered 1,6-Dienes To Form Six-Membered Heterocycles.","Journal of the American Chemical Society","2018","140","24","7458","7461","10.1021/jacs.8b04703","","x-ray","0.71073","MoKα","","0.0382","0.0364","","","0.102","0.103","","","","","","1.067","","","","has coordinates","242506","2020-10-21","18:00:00",""
"4132537","8.9395","0.0003","9.5963","0.0004","14.4751","0.0006","104.785","0.001","100.092","0.001","106.757","0.001","1107.37","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 Cl O4 P Pd -","- C23 H24 Cl O4 P Pd -","- C46 H48 Cl2 O8 P2 Pd2 -","2","1","","Zhang, Wei; Waddell, Peter M.; Tiedemann, Margaret A.; Padilla, Christian E.; Mei, Jiajun; Chen, Liye; Carrow, Brad P.","Electron-Rich Metal Cations Enable Synthesis of High Molecular Weight, Linear Functional Polyethylenes.","Journal of the American Chemical Society","2018","140","28","8841","8850","10.1021/jacs.8b04712","","","0.71073","MoKα","","0.0192","0.0187","","","0.0568","0.0581","","","","","","1.0497","","","","has coordinates","242507","2020-10-21","18:00:00",""
"4132538","8.8242","0.0003","18.5471","0.0006","16.3705","0.0006","90","","103.122","0.001","90","","2609.29","0.16","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 Cl O5 P2 Pd -","- C25 H31 Cl O5 P2 Pd -","- C100 H124 Cl4 O20 P8 Pd4 -","4","1","","Zhang, Wei; Waddell, Peter M.; Tiedemann, Margaret A.; Padilla, Christian E.; Mei, Jiajun; Chen, Liye; Carrow, Brad P.","Electron-Rich Metal Cations Enable Synthesis of High Molecular Weight, Linear Functional Polyethylenes.","Journal of the American Chemical Society","2018","140","28","8841","8850","10.1021/jacs.8b04712","","","1.54178","CuKα","","0.0484","0.047","","","0.1195","0.1207","","","","","","1.0394","","","","has coordinates","242507","2020-10-21","18:00:00",""
"4132539","10.2642","0.0003","15.4645","0.0005","18.4446","0.0007","90","","90","","90","","2927.72","0.17","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 Cl O3 P2 Pd -","- C29 H39 Cl O3 P2 Pd -","- C116 H156 Cl4 O12 P8 Pd4 -","4","1","","Zhang, Wei; Waddell, Peter M.; Tiedemann, Margaret A.; Padilla, Christian E.; Mei, Jiajun; Chen, Liye; Carrow, Brad P.","Electron-Rich Metal Cations Enable Synthesis of High Molecular Weight, Linear Functional Polyethylenes.","Journal of the American Chemical Society","2018","140","28","8841","8850","10.1021/jacs.8b04712","","","0.71073","MoKα","","0.0387","0.0338","","","0.0718","0.0741","","","","","","1.031","","","","has coordinates","242507","2020-10-21","18:00:00",""
"4132540","9.6631","0.0006","21.6925","0.0014","17.1226","0.001","90","","105.858","0.001","90","","3452.6","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H49 Cl N2 O3 P2 Pd -","- C33 H49 Cl N2 O3 P2 Pd -","- C132 H196 Cl4 N8 O12 P8 Pd4 -","4","1","","Zhang, Wei; Waddell, Peter M.; Tiedemann, Margaret A.; Padilla, Christian E.; Mei, Jiajun; Chen, Liye; Carrow, Brad P.","Electron-Rich Metal Cations Enable Synthesis of High Molecular Weight, Linear Functional Polyethylenes.","Journal of the American Chemical Society","2018","140","28","8841","8850","10.1021/jacs.8b04712","","","0.71073","MoKα","","0.0244","0.0226","","","0.0594","0.0641","","","","","","1.033","","","","has coordinates","242507","2020-10-21","18:00:00",""
"4132541","8.7229","0.0004","15.938","0.0008","20.9835","0.0011","90","","98.316","0.001","90","","2886.6","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 Cl N O4 P Pd -","- C28 H37 Cl N O4 P Pd -","- C112 H148 Cl4 N4 O16 P4 Pd4 -","4","1","","Zhang, Wei; Waddell, Peter M.; Tiedemann, Margaret A.; Padilla, Christian E.; Mei, Jiajun; Chen, Liye; Carrow, Brad P.","Electron-Rich Metal Cations Enable Synthesis of High Molecular Weight, Linear Functional Polyethylenes.","Journal of the American Chemical Society","2018","140","28","8841","8850","10.1021/jacs.8b04712","","","0.71073","MoKα","","0.0258","0.0231","","","0.0616","0.0636","","","","","","1.1425","","","","has coordinates","242507","2020-10-21","18:00:00",""
"4132542","38.985","0.005","38.985","0.005","38.985","0.005","90","","90","","90","","59251","13","100","0.1","100","0.1","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C80 H66 N12 O40 Tb6 -","- C59.9988 H29.0022 N9.999 O37.9968 Tb5.9994 -","- C959.981 H464.035 N159.984 O607.949 Tb95.9904 -","16","0.0833333","","Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms.","Journal of the American Chemical Society","2018","140","28","8858","8867","10.1021/jacs.8b04745","","","1.54184","CuKα","","0.2036","0.1386","","","0.3723","0.4185","","","","","","1.753","","","","has coordinates,has disorder","242508","2020-10-21","18:00:00",""
"4132543","39.74","0.001","39.74","0.001","56.261","0.002","90","","90","","90","","88851","4","100","0.1","100","0.1","","","","","","","","5","I 41","I 4bw","80","","","","- C178 H138 N8 O38 Tb6 -","- C174 H102 N6 O32 Tb6 -","- C1392 H816 N48 O256 Tb48 -","8","1","","Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms.","Journal of the American Chemical Society","2018","140","28","8858","8867","10.1021/jacs.8b04745","","","1.54178","CuKα","","0.143","0.1404","","","0.3705","0.3748","","","","","","2.467","","","","has coordinates,has disorder","242509","2020-10-21","18:00:00",""
"4132544","46.0411","0.0004","46.0411","0.0004","46.0411","0.0004","90","","90","","90","","97597.1","1.5","100","0.1","100","0.1","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C136 H120 N8 O38 S6 Tb6 -","- C130.5 H99.5 N6 O38 S6 Tb6 -","- C2088 H1592 N96 O608 S96 Tb96 -","16","0.0833333","","Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms.","Journal of the American Chemical Society","2018","140","28","8858","8867","10.1021/jacs.8b04745","","","1.54178","CuKα","","0.0551","0.0515","","","0.1561","0.1595","","","","","","1.094","","","","has coordinates,has disorder","242510","2020-10-21","18:00:00",""
"4132545","38.309","0.004","38.309","0.004","38.309","0.004","90","","90","","90","","56222","10","100","0.1","100","0.1","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C62 H54 F6 N6 O34 Tb6 -","- C23.9976 H8.9994 N5.9994 O33.9972 Tb5.9994 -","- C383.962 H143.99 N95.9904 O543.955 Tb95.9904 -","16","0.0833333","","Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms.","Journal of the American Chemical Society","2018","140","28","8858","8867","10.1021/jacs.8b04745","","","1.54178","CuKα","","0.1212","0.11","","","0.3956","0.4314","","","","","","2.32","","","","has coordinates,has disorder","242511","2020-10-21","18:00:00",""
"4132546","45.6614","0.0005","45.6614","0.0005","45.6614","0.0005","90","","90","","90","","95202.4","1.8","100","0.1","100","0.1","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","","","- C134.73 H109.04 N5.58 O35.58 S6 Tb6 -","- C134.728 H109.03 N5.5758 O35.576 S6 Tb6 -","- C2155.64 H1744.49 N89.2128 O569.216 S96 Tb96 -","16","0.166667","","Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms.","Journal of the American Chemical Society","2018","140","28","8858","8867","10.1021/jacs.8b04745","","","1.54178","CuKα","","0.0766","0.0744","","","0.2086","0.2141","","","","","","1.092","","","","has coordinates","242512","2020-10-21","18:00:00",""
"4132547","14.4874","0.0002","19.8805","0.0003","20.6103","0.0003","90","","90","","90","","5936.11","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Shaoxx-2-214","","","- C34 H30 Br N2 O P -","- C34 H30 Br N2 O P -","- C272 H240 Br8 N16 O8 P8 -","8","2","","Shao, Xinxin; Li, Kangnan; Malcolmson, Steven J.","Enantioselective Synthesis of anti-1,2-Diamines by Cu-Catalyzed Reductive Couplings of Azadienes with Aldimines and Ketimines.","Journal of the American Chemical Society","2018","140","23","7083","7087","10.1021/jacs.8b04750","","","0.71073","MoKα","","0.0353","0.028","","","0.0568","0.0589","","","","","","1.024","","","","has coordinates","242513","2020-10-21","18:00:00",""
"4132548","9.1525","0.001","12.9741","0.0012","27.813","0.003","90","","95.477","0.002","90","","3287.6","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.75 H26 Cl2.5 N2 O4 -","- C39.812 H26 Cl2.436 N2 O4 -","- C159.248 H104 Cl9.744 N8 O16 -","4","0.5","","Wu, Kailong; Zhang, Tao; Wang, Zian; Wang, Lian; Zhan, Lisi; Gong, Shaolong; Zhong, Cheng; Lu, Zheng-Hong; Zhang, Song; Yang, Chuluo","De Novo Design of Excited-State Intramolecular Proton Transfer Emitters via a Thermally Activated Delayed Fluorescence Channel.","Journal of the American Chemical Society","2018","140","28","8877","8886","10.1021/jacs.8b04795","","","0.71073","MoKα","","0.1283","0.0838","","","0.2561","0.3011","","","","","","1.035","","","","has coordinates,has disorder","242514","2020-10-21","18:00:00",""
"4132549","12.253","0.003","13.695","0.003","18.695","0.005","90","","102.729","0.006","90","","3060","1.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","PXZDMePDO","","","- C41 H30 N2 O4 -","- C41 H30 N2 O4 -","- C164 H120 N8 O16 -","4","0.5","","Wu, Kailong; Zhang, Tao; Wang, Zian; Wang, Lian; Zhan, Lisi; Gong, Shaolong; Zhong, Cheng; Lu, Zheng-Hong; Zhang, Song; Yang, Chuluo","De Novo Design of Excited-State Intramolecular Proton Transfer Emitters via a Thermally Activated Delayed Fluorescence Channel.","Journal of the American Chemical Society","2018","140","28","8877","8886","10.1021/jacs.8b04795","","","0.71073","MoKα","","0.0552","0.0465","","","0.1245","0.1347","","","","","","1.029","","","","has coordinates","242515","2020-10-21","18:00:00",""
"4132550","15.4","0.0005","15.3943","0.0005","19.6252","0.0013","90","","90","","90","","4652.6","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H78 Cl3 Dy O4 P2 -","- C40 H78 Cl3 Dy O4 P2 -","- C160 H312 Cl12 Dy4 O16 P8 -","4","1","","Wang, Yu-Xia; Ma, Yinina; Chai, Yisheng; Shi, Wei; Sun, Young; Cheng, Peng","Observation of Magnetodielectric Effect in a Dysprosium-Based Single-Molecule Magnet.","Journal of the American Chemical Society","2018","140","25","7795","7798","10.1021/jacs.8b04818","","","0.71073","MoKα","","0.08","0.0612","","","0.1259","0.1451","","","","","","1.027","","","","has coordinates,has disorder","242516","2020-10-21","18:00:00",""
"4132551","20.2963","0.0015","17.9161","0.0013","15.4636","0.0011","90","","108.659","0.008","90","","5327.5","0.7","93","2","93","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C98 H162 Fe2 K2 N6 O20 -","- C98 H162 Fe2 K2 N6 O20 -","- C196 H324 Fe4 K4 N12 O40 -","2","0.25","","McWilliams, Sean F.; Bill, Eckhard; Lukat-Rodgers, Gudrun; Rodgers, Kenton R.; Mercado, Brandon Q.; Holland, Patrick L.","Effects of N<sub>2</sub> Binding Mode on Iron-Based Functionalization of Dinitrogen to Form an Iron(III) Hydrazido Complex.","Journal of the American Chemical Society","2018","140","27","8586","8598","10.1021/jacs.8b04828","","","0.71075","MoKα","","0.102","0.07","","","0.1472","0.1655","","","","","","1.14","","","","has coordinates,has disorder","242517","2020-10-21","18:00:00",""
"4132552","21.4377","0.0004","21.1501","0.0004","26.26","0.0018","90","","111.839","0.008","90","","11052","1","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H85 Fe K N6 O8 -","- C49 H85 Fe K N6 O8 -","- C392 H680 Fe8 K8 N48 O64 -","8","2","","McWilliams, Sean F.; Bill, Eckhard; Lukat-Rodgers, Gudrun; Rodgers, Kenton R.; Mercado, Brandon Q.; Holland, Patrick L.","Effects of N<sub>2</sub> Binding Mode on Iron-Based Functionalization of Dinitrogen to Form an Iron(III) Hydrazido Complex.","Journal of the American Chemical Society","2018","140","27","8586","8598","10.1021/jacs.8b04828","","","0.71075","MoKα","","0.0949","0.0687","","","0.1757","0.1922","","","","","","1.049","","","","has coordinates","242517","2020-10-21","18:00:00",""
"4132553","21.1375","0.0015","20.4561","0.0014","18.855","0.0013","90","","113.643","0.001","90","","7468.4","0.9","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H59 Fe N4 Si2 -","- C35 H59 Fe N4 Si2 -","- C280 H472 Fe8 N32 Si16 -","8","2","","McWilliams, Sean F.; Bill, Eckhard; Lukat-Rodgers, Gudrun; Rodgers, Kenton R.; Mercado, Brandon Q.; Holland, Patrick L.","Effects of N<sub>2</sub> Binding Mode on Iron-Based Functionalization of Dinitrogen to Form an Iron(III) Hydrazido Complex.","Journal of the American Chemical Society","2018","140","27","8586","8598","10.1021/jacs.8b04828","","","1.54178","CuKα","","0.0627","0.0448","","","0.1119","0.1228","","","","","","1.029","","","","has coordinates","242517","2020-10-21","18:00:00",""
"4132554","22.9536","0.0016","12.6698","0.0009","33.869","0.002","90","","106.622","0.002","90","","9438.1","1.1","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H65 Fe I2 K N2 O6 -","- C41 H65 Fe I2 K N2 O6 -","- C328 H520 Fe8 I16 K8 N16 O48 -","8","1","","McWilliams, Sean F.; Bill, Eckhard; Lukat-Rodgers, Gudrun; Rodgers, Kenton R.; Mercado, Brandon Q.; Holland, Patrick L.","Effects of N<sub>2</sub> Binding Mode on Iron-Based Functionalization of Dinitrogen to Form an Iron(III) Hydrazido Complex.","Journal of the American Chemical Society","2018","140","27","8586","8598","10.1021/jacs.8b04828","","","1.54178","CuKα","","0.0715","0.0462","","","0.1012","0.1078","","","","","","0.94","","","","has coordinates,has disorder","242517","2020-10-21","18:00:00",""
"4132555","17.543","0.0012","16.6901","0.0012","20.3235","0.0014","90","","107.336","0.001","90","","5680.3","0.7","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H91 Fe K N2 O8 -","- C55 H91 Fe K N2 O8 -","- C220 H364 Fe4 K4 N8 O32 -","4","1","","McWilliams, Sean F.; Bill, Eckhard; Lukat-Rodgers, Gudrun; Rodgers, Kenton R.; Mercado, Brandon Q.; Holland, Patrick L.","Effects of N<sub>2</sub> Binding Mode on Iron-Based Functionalization of Dinitrogen to Form an Iron(III) Hydrazido Complex.","Journal of the American Chemical Society","2018","140","27","8586","8598","10.1021/jacs.8b04828","","","1.54178","CuKα","","0.1103","0.0916","","","0.2632","0.2826","","","","","","1.054","","","","has coordinates","242517","2020-10-21","18:00:00",""
"4132556","8.441","0.002","11.844","0.003","16.46","0.004","96.665","0.003","100.755","0.003","103.614","0.003","1549","0.7","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H32 Ir N3 O -","- C41 H32 Ir N3 O -","- C82 H64 Ir2 N6 O2 -","2","1","","Lai, Po-Ni; Brysacz, Caroline H.; Alam, Md Kamrul; Ayoub, Nicholas A.; Gray, Thomas G.; Bao, Jiming; Teets, Thomas S.","Highly Efficient Red-Emitting Bis-Cyclometalated Iridium Complexes.","Journal of the American Chemical Society","2018","140","32","10198","10207","10.1021/jacs.8b04841","","","0.71073","MoKα","","0.0225","0.0206","","","0.0503","0.052","","","","","","1.094","","","","has coordinates","242518","2020-10-21","18:00:00",""
"4132557","12.9276","0.0005","24.1615","0.001","13.3586","0.0005","90","","116.226","0.0004","90","","3743","0.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H32 Cl4 Ir N3 O S2 -","- C39 H32 Cl4 Ir N3 O S2 -","- C156 H128 Cl16 Ir4 N12 O4 S8 -","4","1","","Lai, Po-Ni; Brysacz, Caroline H.; Alam, Md Kamrul; Ayoub, Nicholas A.; Gray, Thomas G.; Bao, Jiming; Teets, Thomas S.","Highly Efficient Red-Emitting Bis-Cyclometalated Iridium Complexes.","Journal of the American Chemical Society","2018","140","32","10198","10207","10.1021/jacs.8b04841","","","0.71073","MoKα","","0.0466","0.0387","","","0.105","0.1095","","","","","","1.051","","","","has coordinates,has disorder","242518","2020-10-21","18:00:00",""
"4132558","13.2791","0.0008","21.2737","0.0013","13.2932","0.0013","90","","102.215","0.0006","90","","3670.3","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H37 Cl2 Ir N4 S2 -","- C40 H37 Cl2 Ir N4 S2 -","- C160 H148 Cl8 Ir4 N16 S8 -","4","0.5","","Lai, Po-Ni; Brysacz, Caroline H.; Alam, Md Kamrul; Ayoub, Nicholas A.; Gray, Thomas G.; Bao, Jiming; Teets, Thomas S.","Highly Efficient Red-Emitting Bis-Cyclometalated Iridium Complexes.","Journal of the American Chemical Society","2018","140","32","10198","10207","10.1021/jacs.8b04841","","","0.71073","MoKα","","0.0412","0.0259","","","0.055","0.0609","","","","","","1.016","","","","has coordinates","242518","2020-10-21","18:00:00",""
"4132559","17.0985","0.0011","13.5512","0.0009","21.4178","0.0014","90","","90","","90","","4962.6","0.6","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C46 H59 Cr N2 P Si -","- C46 H59 Cr N2 P Si -","- C184 H236 Cr4 N8 P4 Si4 -","4","1","","Wu, Pengcheng; Yap, Glenn P. A.; Theopold, Klaus H.","Structure and Reactivity of Chromium(VI) Alkylidenes.","Journal of the American Chemical Society","2018","140","23","7088","7091","10.1021/jacs.8b04882","","","0.71073","MoKα","","0.0588","0.0424","","","0.1053","0.1155","","","","","","1.035","","","","has coordinates","242519","2020-10-21","18:00:00",""
"4132560","11.0281","0.0006","16.9697","0.001","19.3066","0.0011","90","","101.422","0.001","90","","3541.5","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 Cr N2 Si2 -","- C32 H56 Cr N2 Si2 -","- C128 H224 Cr4 N8 Si8 -","4","1","","Wu, Pengcheng; Yap, Glenn P. A.; Theopold, Klaus H.","Structure and Reactivity of Chromium(VI) Alkylidenes.","Journal of the American Chemical Society","2018","140","23","7088","7091","10.1021/jacs.8b04882","","","0.71073","MoKα","","0.0572","0.0422","","","0.108","0.1206","","","","","","1.014","","","","has coordinates","242520","2020-10-21","18:00:00",""
"4132561","9.8933","0.0015","17.768","0.003","19.173","0.003","90","","90","","90","","3370.3","0.9","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H47 Cr N2 -","- C38 H47 Cr N2 -","- C152 H188 Cr4 N8 -","4","1","","Wu, Pengcheng; Yap, Glenn P. A.; Theopold, Klaus H.","Structure and Reactivity of Chromium(VI) Alkylidenes.","Journal of the American Chemical Society","2018","140","23","7088","7091","10.1021/jacs.8b04882","","","0.71073","MoKα","","0.0845","0.0515","","","0.1059","0.1214","","","","","","1.01","","","","has coordinates,has disorder","242521","2020-10-21","18:00:00",""
"4132562","12.4593","0.0004","12.8057","0.0004","30.868","0.001","90","","90","","90","","4925","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H71 Cr N2 P -","- C47 H59 Cr N2 P -","- C188 H236 Cr4 N8 P4 -","4","1","","Wu, Pengcheng; Yap, Glenn P. A.; Theopold, Klaus H.","Structure and Reactivity of Chromium(VI) Alkylidenes.","Journal of the American Chemical Society","2018","140","23","7088","7091","10.1021/jacs.8b04882","","","0.71073","MoKα","","0.1055","0.0642","","","0.1181","0.1339","","","","","","0.969","","","","has coordinates","242522","2020-10-21","18:00:00",""
"4132563","9.9722","0.0003","11.1746","0.0003","17.0474","0.0004","72.227","0.001","74.053","0.002","65.581","0.001","1622.84","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H52 Cr N2 -","- C34 H52 Cr N2 -","- C68 H104 Cr2 N4 -","2","1","","Wu, Pengcheng; Yap, Glenn P. A.; Theopold, Klaus H.","Structure and Reactivity of Chromium(VI) Alkylidenes.","Journal of the American Chemical Society","2018","140","23","7088","7091","10.1021/jacs.8b04882","","","1.54178","CuKα","","0.0741","0.0714","","","0.1684","0.1697","","","","","","1.208","","","","has coordinates,has disorder","242523","2020-10-21","18:00:00",""
"4132564","29.365","","29.365","","29.365","","90","","90","","90","","25321.5","","110","2","110","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C72 H48 N12 Ni3 O32 Zr6 -","- C72 H48 N12 Ni3 O32 Zr6 -","- C288 H192 N48 Ni12 O128 Zr24 -","4","0.0208333","","Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai","Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.","Journal of the American Chemical Society","2018","140","34","10814","10819","10.1021/jacs.8b04886","","x-ray","1.54184","CuKα","","0.0855","0.0823","","","0.2515","0.2594","","","","","","1.089","","","","has coordinates","242524","2020-10-21","18:00:00",""
"4132565","29.482","","29.482","","29.482","","90","","90","","90","","25625.4","","100","2","100","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C72 H48 N12 O32 Pd3 Zr6 -","- C72 H48 N12 O32 Pd3 Zr6 -","- C288 H192 N48 O128 Pd12 Zr24 -","4","0.0208333","","Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai","Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.","Journal of the American Chemical Society","2018","140","34","10814","10819","10.1021/jacs.8b04886","","x-ray","1.54184","CuKα","","0.1785","0.103","","","0.2506","0.2886","","","","","","0.96","","","","has coordinates","242524","2020-10-21","18:00:00",""
"4132566","7.1382","0.0009","10.4292","0.0012","10.7797","0.0013","73.312","0.003","82.332","0.003","75.812","0.003","743.54","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H34 Cl2 N2 Ni O8 S4 -","- C20 H34 Cl2 N2 Ni O8 S4 -","- C20 H34 Cl2 N2 Ni O8 S4 -","1","0.5","","Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai","Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.","Journal of the American Chemical Society","2018","140","34","10814","10819","10.1021/jacs.8b04886","","x-ray","0.71073","MoKα","","0.0399","0.0319","","","0.0744","0.079","","","","","","1.17","","","","has coordinates","242524","2020-10-21","18:00:00",""
"4132567","6.2763","0.0004","6.8351","0.0004","9.243","0.0006","96.319","0.002","105.067","0.002","113.408","0.002","341.04","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 N2 Ni O8 -","- C12 H16 N2 Ni O8 -","- C12 H16 N2 Ni O8 -","1","0.5","","Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai","Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.","Journal of the American Chemical Society","2018","140","34","10814","10819","10.1021/jacs.8b04886","","x-ray","0.71073","MoKα","","0.0487","0.0401","","","0.0841","0.0875","","","","","","1.127","","","","has coordinates","242524","2020-10-21","18:00:00",""
"4132568","5.5954","0.0004","8.3386","0.0006","12.7456","0.0008","99.2697","0.0018","101.056","0.0019","98.754","0.002","565.64","0.07","110","2","110","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H22 Cl2 N2 O6 Pd S2 -","- C16 H22 Cl2 N2 O6 Pd S2 -","- C16 H22 Cl2 N2 O6 Pd S2 -","1","0.5","","Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai","Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.","Journal of the American Chemical Society","2018","140","34","10814","10819","10.1021/jacs.8b04886","","x-ray","0.71073","MoKα","","0.025","0.0228","","","0.0593","0.0605","","","","","","1.244","","","","has coordinates","242524","2020-10-21","18:00:00",""
"4132569","7.0833","0.0003","10.3708","0.0005","10.9549","0.0005","71.8866","0.0009","83.9415","0.001","76.9365","0.001","744.53","0.06","100","2","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H34 Cl2 Cu N2 O8 S4 -","- C20 H34 Cl2 Cu N2 O8 S4 -","- C20 H34 Cl2 Cu N2 O8 S4 -","1","0.5","","Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai","Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.","Journal of the American Chemical Society","2018","140","34","10814","10819","10.1021/jacs.8b04886","","x-ray","1.54184","CuKα","","0.0277","0.0267","","","0.0728","0.078","","","","","","1.081","","","","has coordinates","242524","2020-10-21","18:00:00",""
"4132570","6.2994","0.0004","6.7911","0.0004","9.1637","0.0005","98.9958","0.0018","105.053","0.0017","108.698","0.0018","346.07","0.04","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Cu N2 O8 -","- C12 H16 Cu N2 O8 -","- C12 H16 Cu N2 O8 -","1","0.5","","Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai","Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.","Journal of the American Chemical Society","2018","140","34","10814","10819","10.1021/jacs.8b04886","","x-ray","0.71073","MoKα","","0.0433","0.0367","","","0.0799","0.0824","","","","","","1.088","","","","has coordinates","242524","2020-10-21","18:00:00",""
"4132571","17.2768","0.0012","7.2505","0.0005","11.1446","0.0008","90","","96.356","0.003","90","","1387.45","0.17","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 O2 -","- C16 H26 O2 -","- C64 H104 O8 -","4","1","","Merchant, Rohan R.; Oberg, Kevin M.; Lin, Yutong; Novak, Alexander J. E.; Felding, Jakob; Baran, Phil S.","Divergent Synthesis of Pyrone Diterpenes via Radical Cross Coupling.","Journal of the American Chemical Society","2018","140","24","7462","7465","10.1021/jacs.8b04891","","x-ray","0.71073","MoKα","","0.0803","0.0496","","","0.1101","0.1254","","","","","","1.019","","","","has coordinates","242525","2020-10-21","18:00:00",""
"4132572","6.8589","0.0004","18.4294","0.0011","20.7665","0.0012","90","","94.9492","0.0019","90","","2615.2","0.3","114.44","","114.44","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H25 B F2 N4 -","- C33 H25 B F2 N4 -","- C132 H100 B4 F8 N16 -","4","1","","Zhou, Jiong; Zhang, Yuzhen; Yu, Guocan; Crawley, Matthew R.; Fulong, Cressa Ria P.; Friedman, Alan E.; Sengupta, Sanghamitra; Sun, Jifu; Li, Qing; Huang, Feihe; Cook, Timothy R.","Highly Emissive Self-Assembled BODIPY-Platinum Supramolecular Triangles.","Journal of the American Chemical Society","2018","140","24","7730","7736","10.1021/jacs.8b04929","","","0.71073","MoKα","","0.08","0.0488","","","0.0929","0.1048","","","","","","1.052","","","","has coordinates","242526","2020-10-21","18:00:00",""
"4132573","11.4365","0.0004","12.9084","0.0005","13.2216","0.0005","90","","90.809","0.0012","90","","1951.67","0.13","100.02","","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 B F2 I2 N2 -","- C19 H17 B F2 I2 N2 -","- C76 H68 B4 F8 I8 N8 -","4","1","","Zhou, Jiong; Zhang, Yuzhen; Yu, Guocan; Crawley, Matthew R.; Fulong, Cressa Ria P.; Friedman, Alan E.; Sengupta, Sanghamitra; Sun, Jifu; Li, Qing; Huang, Feihe; Cook, Timothy R.","Highly Emissive Self-Assembled BODIPY-Platinum Supramolecular Triangles.","Journal of the American Chemical Society","2018","140","24","7730","7736","10.1021/jacs.8b04929","","x-ray","0.71073","MoKα","","0.0252","0.0215","","","0.054","0.0558","","","","","","1.068","","","","has coordinates","242527","2020-10-21","18:00:00",""
"4132574","15.8551","0.0014","10.844","0.0011","15.1961","0.0013","90","","100.17","0.003","90","","2571.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 N2 O2 P -","- C29 H37 N2 O2 P -","- C116 H148 N8 O8 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Andrews, Ryan; Stephan, Douglas W.","A Room-Temperature-Stable Phosphanorcaradiene.","Journal of the American Chemical Society","2018","140","24","7466","7470","10.1021/jacs.8b04930","","","0.71073","MoKα","","0.11","0.0518","","","0.1311","0.1569","","","","","","1.028","","","","has coordinates","242528","2020-10-21","18:00:00",""
"4132575","9.8219","0.0011","13.2831","0.0016","14.8369","0.0018","99.452","0.004","103.114","0.003","95.605","0.004","1841.2","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H45 N2 O4 P -","- C43 H45 N2 O4 P -","- C86 H90 N4 O8 P2 -","2","1","","Liu, Liu Leo; Zhou, Jiliang; Andrews, Ryan; Stephan, Douglas W.","A Room-Temperature-Stable Phosphanorcaradiene.","Journal of the American Chemical Society","2018","140","24","7466","7470","10.1021/jacs.8b04930","","","0.71073","MoKα","","0.0917","0.0463","","","0.0927","0.1091","","","","","","1.006","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4132576","9.2238","0.0006","17.261","0.0012","17.5861","0.0011","90","","98.018","0.003","90","","2772.5","0.3","150","2","150.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H39.5 Cl0.5 F3 N2 O3 S Si -","- C22 H39.5 Cl0.5 F3 N2 O3 S Si -","- C88 H158 Cl2 F12 N8 O12 S4 Si4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Andrews, Ryan; Stephan, Douglas W.","A Room-Temperature-Stable Phosphanorcaradiene.","Journal of the American Chemical Society","2018","140","24","7466","7470","10.1021/jacs.8b04930","","","0.71073","MoKα","","0.0948","0.0468","","","0.1097","0.1311","","","","","","1.014","","","","has coordinates,has disorder","242528","2020-10-21","18:00:00",""
"4132577","19.068","0.002","21.572","0.003","8.1409","0.0009","90","","90","","90","","3348.6","0.7","150","2","150.15","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H31 B N2 -","- C15 H31 B N2 -","- C120 H248 B8 N16 -","8","0.5","","Liu, Liu Leo; Zhou, Jiliang; Andrews, Ryan; Stephan, Douglas W.","A Room-Temperature-Stable Phosphanorcaradiene.","Journal of the American Chemical Society","2018","140","24","7466","7470","10.1021/jacs.8b04930","","","0.71073","MoKα","","0.0713","0.0441","","","0.0931","0.1055","","","","","","1.05","","","","has coordinates,has disorder","242528","2020-10-21","18:00:00",""
"4132578","15.255","0.003","13.69","0.003","16.939","0.003","90","","104.621","0.004","90","","3423","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Cl8 N4 Ru -","- C28 H36 Cl8 N4 Ru -","- C112 H144 Cl32 N16 Ru4 -","4","1","","Dutta, Indranil; Yadav, Sudhir; Sarbajna, Abir; De, Subhabrata; Hölscher, Markus; Leitner, Walter; Bera, Jitendra K.","Double Dehydrogenation of Primary Amines to Nitriles by a Ruthenium Complex Featuring Pyrazole Functionality.","Journal of the American Chemical Society","2018","140","28","8662","8666","10.1021/jacs.8b05009","","","0.71073","MoKα","","0.0799","0.0624","","","0.1695","0.1811","","","","","","1.072","","","","has coordinates","242529","2020-10-21","18:00:00",""
"4132579","10.3321","0.0014","15.1479","0.0018","17.801","0.002","90","","105.534","0.006","90","","2684.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl2 N4 Ru -","- C26 H32 Cl2 N4 Ru -","- C104 H128 Cl8 N16 Ru4 -","4","1","","Dutta, Indranil; Yadav, Sudhir; Sarbajna, Abir; De, Subhabrata; Hölscher, Markus; Leitner, Walter; Bera, Jitendra K.","Double Dehydrogenation of Primary Amines to Nitriles by a Ruthenium Complex Featuring Pyrazole Functionality.","Journal of the American Chemical Society","2018","140","28","8662","8666","10.1021/jacs.8b05009","","","0.71073","MoKα","","0.184","0.0744","","","0.1351","0.1666","","","","","","1.019","","","","has coordinates","242529","2020-10-21","18:00:00",""
"4132580","15.5162","0.0014","11.1368","0.001","17.7144","0.0016","90","","114.52","0.001","90","","2785","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 Cl3 N4 Ru -","- C26 H31 Cl3 N4 Ru -","- C104 H124 Cl12 N16 Ru4 -","4","1","","Dutta, Indranil; Yadav, Sudhir; Sarbajna, Abir; De, Subhabrata; Hölscher, Markus; Leitner, Walter; Bera, Jitendra K.","Double Dehydrogenation of Primary Amines to Nitriles by a Ruthenium Complex Featuring Pyrazole Functionality.","Journal of the American Chemical Society","2018","140","28","8662","8666","10.1021/jacs.8b05009","","","0.71073","MoKα","","0.0379","0.0322","","","0.0873","0.0931","","","","","","0.787","","","","has coordinates","242529","2020-10-21","18:00:00",""
"4132581","19.27","0.002","9.9659","0.0012","11.8072","0.0014","90","","90","","90","","2267.5","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H29 Cl2 N3 Ru -","- C22 H29 Cl2 N3 Ru -","- C88 H116 Cl8 N12 Ru4 -","4","1","","Dutta, Indranil; Yadav, Sudhir; Sarbajna, Abir; De, Subhabrata; Hölscher, Markus; Leitner, Walter; Bera, Jitendra K.","Double Dehydrogenation of Primary Amines to Nitriles by a Ruthenium Complex Featuring Pyrazole Functionality.","Journal of the American Chemical Society","2018","140","28","8662","8666","10.1021/jacs.8b05009","","","0.71073","MoKα","","0.0589","0.044","","","0.0893","0.0952","","","","","","1.09","","","","has coordinates","242529","2020-10-21","18:00:00",""
"4132582","46.323","0.002","12.1188","0.0005","24.6506","0.001","90","","121.309","0.002","90","","11823.2","0.9","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H83 Co K2 N O2 -","- C55 H82.754 Co K2 N O2 -","- C440 H662.032 Co8 K16 N8 O16 -","8","1","","Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Highly-Reduced Cobalt Terminal Carbyne: Divergent Metal- and α-Carbon-Centered Reactivity.","Journal of the American Chemical Society","2018","140","26","8100","8104","10.1021/jacs.8b05019","","x-ray","0.71073","MoKα","K-L~3~","0.0854","0.0489","","","0.0999","0.1122","","","","","","1.022","","","","has coordinates,has disorder","242530","2020-10-21","18:00:00",""
"4132583","11.4478","0.0006","12.1071","0.0007","21.3849","0.0012","82.679","0.003","86.994","0.003","81.566","0.003","2906.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C65 H85 Co K N O -","- C65 H85 Co K N O -","- C130 H170 Co2 K2 N2 O2 -","2","1","","Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Highly-Reduced Cobalt Terminal Carbyne: Divergent Metal- and α-Carbon-Centered Reactivity.","Journal of the American Chemical Society","2018","140","26","8100","8104","10.1021/jacs.8b05019","","x-ray","0.71073","MoKα","K-L~3~","0.1134","0.0904","","","0.2228","0.2386","","","","","","1.021","","","","has coordinates","242530","2020-10-21","18:00:00",""
"4132584","23.0483","0.0013","14.029","0.0009","27.3737","0.0018","90","","90","","90","","8851.1","1","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C47 H64 Co I2 N -","- C47 H64 Co I2 N -","- C376 H512 Co8 I16 N8 -","8","2","","Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Highly-Reduced Cobalt Terminal Carbyne: Divergent Metal- and α-Carbon-Centered Reactivity.","Journal of the American Chemical Society","2018","140","26","8100","8104","10.1021/jacs.8b05019","","x-ray","0.71073","MoKα","","0.0567","0.0405","","","0.0818","0.0897","","","","","","1.034","","","","has coordinates","242530","2020-10-21","18:00:00",""
"4132585","11.1895","0.0006","42.067","0.003","10.8206","0.0006","90","","108.693","0.003","90","","4824.7","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H75 Co K N O -","- C51 H75 Co K N O -","- C204 H300 Co4 K4 N4 O4 -","4","1","","Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Highly-Reduced Cobalt Terminal Carbyne: Divergent Metal- and α-Carbon-Centered Reactivity.","Journal of the American Chemical Society","2018","140","26","8100","8104","10.1021/jacs.8b05019","","x-ray","0.71073","MoKα","K-L~3~","0.136","0.0592","","","0.1083","0.1321","","","","","","0.985","","","","has coordinates","242530","2020-10-21","18:00:00",""
"4132586","12.4898","0.0004","12.5227","0.0004","20.6102","0.0006","93.054","0.001","104.868","0.001","110.926","0.001","2872.39","0.16","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H86 Co K N O Si -","- C59 H95 Co K N O Si -","- C118 H190 Co2 K2 N2 O2 Si2 -","2","1","","Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Highly-Reduced Cobalt Terminal Carbyne: Divergent Metal- and α-Carbon-Centered Reactivity.","Journal of the American Chemical Society","2018","140","26","8100","8104","10.1021/jacs.8b05019","","x-ray","0.71073","MoKα","","0.0503","0.0382","","","0.1001","0.108","","","","","","1.029","","","","has coordinates,has disorder","242530","2020-10-21","18:00:00",""
"4132587","14.8607","0.0004","14.8607","0.0004","6.7012","0.0003","90","","90","","120","","1281.63","0.08","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H30 Br7 Mn2 N3 -","- C9 H30 Br7 Mn2 N3 -","- C18 H60 Br14 Mn4 N6 -","2","0.166667","","Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen","Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).","Journal of the American Chemical Society","2018","140","26","8110","8113","10.1021/jacs.8b05037","","","0.71073","MoKα","","0.049","0.0357","","","0.0682","0.0706","","","","","","1.012","","","","has coordinates","242531","2020-10-21","18:00:00",""
"4132588","14.9319","0.0004","14.9319","0.0004","6.7338","0.0002","90","","90","","120","","1300.23","0.06","373","2","373","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H30 Br7 Mn2 N3 -","- C9 H30 Br7 Mn2 N3 -","- C18 H60 Br14 Mn4 N6 -","2","0.166667","","Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen","Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).","Journal of the American Chemical Society","2018","140","26","8110","8113","10.1021/jacs.8b05037","","","0.71073","MoKα","","0.0536","0.0347","","","0.0586","0.0625","","","","","","1.046","","","","has coordinates","242532","2020-10-21","18:00:00",""
"4132589","14.7885","0.0005","14.7885","0.0005","6.6738","0.0003","90","","90","","120","","1264.01","0.08","223","2","223","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H30 Br7 Mn2 N3 -","- C9 H30 Br7 Mn2 N3 -","- C18 H60 Br14 Mn4 N6 -","2","0.166667","","Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen","Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).","Journal of the American Chemical Society","2018","140","26","8110","8113","10.1021/jacs.8b05037","","","0.71073","MoKα","","0.0411","0.0318","","","0.0742","0.0765","","","","","","1.022","","","","has coordinates","242533","2020-10-21","18:00:00",""
"4132590","14.6822","0.0005","14.6822","0.0005","6.6323","0.0003","90","","90","","120","","1238.16","0.08","93","2","93","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H30 Br7 Mn2 N3 -","- C9 H30 Br7 Mn2 N3 -","- C18 H60 Br14 Mn4 N6 -","2","0.166667","","Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen","Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).","Journal of the American Chemical Society","2018","140","26","8110","8113","10.1021/jacs.8b05037","","","0.71073","MoKα","","0.0465","0.0385","","","0.077","0.0789","","","","","","1.07","","","","has coordinates","242534","2020-10-21","18:00:00",""
"4132591","14.8806","0.0005","14.8806","0.0005","6.7146","0.0004","90","","90","","120","","1287.63","0.1","323","2","323","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H30 Br7 Mn2 N3 -","- C9 H30 Br7 Mn2 N3 -","- C18 H60 Br14 Mn4 N6 -","2","0.166667","","Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen","Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).","Journal of the American Chemical Society","2018","140","26","8110","8113","10.1021/jacs.8b05037","","","0.71073","MoKα","","0.0824","0.0466","","","0.0825","0.0858","","","","","","1.03","","","","has coordinates","242535","2020-10-21","18:00:00",""
"4132592","14.747","0.0004","14.747","0.0004","6.6608","0.0003","90","","90","","120","","1254.48","0.07","173","2","173","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H30 Br7 Mn2 N3 -","- C9 H30 Br7 Mn2 N3 -","- C18 H60 Br14 Mn4 N6 -","2","0.166667","","Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen","Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).","Journal of the American Chemical Society","2018","140","26","8110","8113","10.1021/jacs.8b05037","","","0.71073","MoKα","","0.0394","0.0289","","","0.0585","0.0604","","","","","","1.043","","","","has coordinates","242536","2020-10-21","18:00:00",""
"4132593","15.0014","0.0006","15.0014","0.0006","6.7669","0.0003","90","","90","","120","","1318.82","0.09","423","2","423","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H30 Br7 Mn2 N3 -","- C9 H30 Br7 Mn2 N3 -","- C18 H60 Br14 Mn4 N6 -","2","0.166667","","Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen","Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).","Journal of the American Chemical Society","2018","140","26","8110","8113","10.1021/jacs.8b05037","","","0.71073","MoKα","","0.0825","0.0427","","","0.0707","0.0774","","","","","","1.048","","","","has coordinates","242537","2020-10-21","18:00:00",""
"4132594","9.0108","0.0004","10.7633","0.0004","16.4963","0.0006","75.572","0.002","76.098","0.002","66.854","0.002","1406.42","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","LCM1/Acid","sarpong103","","- C27 H39 Br O6 Si -","- C27 H39 Br O6 Si -","- C54 H78 Br2 O12 Si2 -","2","1","","Kou, Kevin G. M.; Pflueger, Jason J.; Kiho, Toshihiro; Morrill, Louis C.; Fisher, Ethan L.; Clagg, Kyle; Lebold, Terry P.; Kisunzu, Jessica K.; Sarpong, Richmond","A Benzyne Insertion Approach to Hetisine-Type Diterpenoid Alkaloids: Synthesis of Cossonidine (Davisine).","Journal of the American Chemical Society","2018","140","26","8105","8109","10.1021/jacs.8b05043","","","1.54178","CuKα","","0.0366","0.035","","","0.0948","0.0964","","","","","","1.051","","","","has coordinates","242538","2020-10-21","18:00:00",""
"4132595","10.7865","0.0002","12.1566","0.0002","14.757","0.0003","90","","90","","90","","1935.04","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Cl3 N O2 -","- C20 H26 Cl3 N O2 -","- C80 H104 Cl12 N4 O8 -","4","1","","Kou, Kevin G. M.; Pflueger, Jason J.; Kiho, Toshihiro; Morrill, Louis C.; Fisher, Ethan L.; Clagg, Kyle; Lebold, Terry P.; Kisunzu, Jessica K.; Sarpong, Richmond","A Benzyne Insertion Approach to Hetisine-Type Diterpenoid Alkaloids: Synthesis of Cossonidine (Davisine).","Journal of the American Chemical Society","2018","140","26","8105","8109","10.1021/jacs.8b05043","","","1.54184","CuKα","","0.0479","0.0452","","","0.1213","0.1228","","","","","","1.072","","","","has coordinates","242540","2020-10-21","18:00:00",""
"4132596","15.6465","0.0004","16.924","0.0004","19.6011","0.0005","90","","90","","90","","5190.4","0.2","100","2","100.04","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C57 H48 Cl7 Cu Fe N2 O2 -","- C57 H48 Cl7 Cu Fe N2 O2 -","- C228 H192 Cl28 Cu4 Fe4 N8 O8 -","4","1","","Schwamb, C. Benjamin; Fitzpatrick, Keegan P.; Brueckner, Alexander C.; Richardson, H. Camille; Cheong, Paul H.-Y.; Scheidt, Karl A.","Enantioselective Synthesis of α-Amidoboronates Catalyzed by Planar-Chiral NHC-Cu(I) Complexes.","Journal of the American Chemical Society","2018","140","34","10644","10648","10.1021/jacs.8b05045","","","0.71073","MoKα","","0.0574","0.0479","","","0.1319","0.1371","","","","","","1.071","","","","has coordinates","242542","2020-10-21","18:00:00",""
"4132597","18.3929","0.0016","9.5949","0.0008","18.9878","0.0017","90","","96.359","0.005","90","","3330.3","0.5","250","2","249.99","","","","","","","","","7","P 1 2 1","P 2y","3","","","","- C34 H34 Cl Cu Fe N2 O -","- C34 H34 Cl Cu Fe N2 O -","- C136 H136 Cl4 Cu4 Fe4 N8 O4 -","4","2","","Schwamb, C. Benjamin; Fitzpatrick, Keegan P.; Brueckner, Alexander C.; Richardson, H. Camille; Cheong, Paul H.-Y.; Scheidt, Karl A.","Enantioselective Synthesis of α-Amidoboronates Catalyzed by Planar-Chiral NHC-Cu(I) Complexes.","Journal of the American Chemical Society","2018","140","34","10644","10648","10.1021/jacs.8b05045","","","1.54178","CuKα","","0.134","0.0691","","","0.163","0.2034","","","","","","0.972","","","","has coordinates","242543","2020-10-21","18:00:00",""
"4132598","11.4799","0.001","15.0428","0.0013","15.3127","0.0013","90","","90","","90","","2644.3","0.4","99.98","","99.98","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 Cl Cu Fe N2 O2 -","- C29 H32 Cl Cu Fe N2 O2 -","- C116 H128 Cl4 Cu4 Fe4 N8 O8 -","4","1","","Schwamb, C. Benjamin; Fitzpatrick, Keegan P.; Brueckner, Alexander C.; Richardson, H. Camille; Cheong, Paul H.-Y.; Scheidt, Karl A.","Enantioselective Synthesis of α-Amidoboronates Catalyzed by Planar-Chiral NHC-Cu(I) Complexes.","Journal of the American Chemical Society","2018","140","34","10644","10648","10.1021/jacs.8b05045","","","1.54178","CuKα","","0.0211","0.0211","","","0.0558","0.0558","","","","","","1.058","","","","has coordinates","242544","2020-10-21","18:00:00",""
"4132599","10.9592","0.0017","9.3307","0.0012","16.2386","0.0019","90","","91.805","0.011","90","","1659.7","0.4","100","2","100.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H46 B N3 O5 -","- C35 H46 B N3 O5 -","- C70 H92 B2 N6 O10 -","2","1","","Schwamb, C. Benjamin; Fitzpatrick, Keegan P.; Brueckner, Alexander C.; Richardson, H. Camille; Cheong, Paul H.-Y.; Scheidt, Karl A.","Enantioselective Synthesis of α-Amidoboronates Catalyzed by Planar-Chiral NHC-Cu(I) Complexes.","Journal of the American Chemical Society","2018","140","34","10644","10648","10.1021/jacs.8b05045","","","1.54178","CuKα","","0.0989","0.0574","","","0.1173","0.1361","","","","","","0.989","","","","has coordinates","242545","2020-10-21","18:00:00",""
"4132600","16.6368","0.0005","18.0871","0.0006","19.3244","0.0007","84.612","0.003","80.119","0.003","64.846","0.003","5184","0.3","180","2","180.15","","","","","","","","","5","P -1","-P 1","2","","","","- C70.77 H59.54 N2 O15 Yb2 -","- C70.78 H59.56 N2 O15 Yb2 -","- C141.56 H119.12 N4 O30 Yb4 -","2","1","","Collet, Guillaume; Lathion, Timothée; Besnard, Céline; Piguet, Claude; Petoud, Stéphane","On-Demand Degradation of Metal-Organic Framework Based on Photocleavable Dianthracene-Based Ligand.","Journal of the American Chemical Society","2018","140","34","10820","10828","10.1021/jacs.8b05047","","x-ray","1.54184","CuKα","","0.0735","0.059","","","0.1611","0.1744","","","","","","0.964","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"4132601","10.4209","0.0003","7.9301","0.0002","18.7758","0.0005","90","","104.06","0.003","90","","1505.13","0.07","180","0.1","180","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 O6 S2 -","- C34 H32 O6 S2 -","- C68 H64 O12 S4 -","2","0.5","","Collet, Guillaume; Lathion, Timothée; Besnard, Céline; Piguet, Claude; Petoud, Stéphane","On-Demand Degradation of Metal-Organic Framework Based on Photocleavable Dianthracene-Based Ligand.","Journal of the American Chemical Society","2018","140","34","10820","10828","10.1021/jacs.8b05047","","x-ray","1.54184","CuKα","","0.05","0.0486","","","0.1298","0.1311","","","","","","1.044","","","","has coordinates","242548","2020-10-21","18:00:00",""
"4132602","9.2901","0.0005","13.6758","0.0007","14.4243","0.0008","66.913","0.005","74.315","0.005","74.609","0.004","1596.55","0.16","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N2 O6 -","- C38 H38 N2 O6 -","- C76 H76 N4 O12 -","2","1","","Collet, Guillaume; Lathion, Timothée; Besnard, Céline; Piguet, Claude; Petoud, Stéphane","On-Demand Degradation of Metal-Organic Framework Based on Photocleavable Dianthracene-Based Ligand.","Journal of the American Chemical Society","2018","140","34","10820","10828","10.1021/jacs.8b05047","","x-ray","1.54184","CuKα","","0.0548","0.0418","","","0.103","0.1132","","","","","","1.017","","","","has coordinates","242549","2020-10-21","18:00:00",""
"4132603","10.6198","0.0003","12.0108","0.0003","12.5761","0.0003","90","","96.716","0.002","90","","1593.1","0.07","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 N2 O6 -","- C38 H38 N2 O6 -","- C76 H76 N4 O12 -","2","0.5","","Collet, Guillaume; Lathion, Timothée; Besnard, Céline; Piguet, Claude; Petoud, Stéphane","On-Demand Degradation of Metal-Organic Framework Based on Photocleavable Dianthracene-Based Ligand.","Journal of the American Chemical Society","2018","140","34","10820","10828","10.1021/jacs.8b05047","","x-ray","1.54184","CuKα","","0.0507","0.0404","","","0.1004","0.1082","","","","","","1.043","","","","has coordinates","242550","2020-10-21","18:00:00",""
"4132604","12.9712","0.001","7.0406","0.0005","13.2586","0.0009","90","","102.884","0.005","90","","1180.36","0.15","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H17.5 N0.5 O2 -","- C13 H17.25 N0.5 O2 -","- C52 H69 N2 O8 -","4","2","","Kapoor, Mohit; Liu, Daniel; Young, Michael C.","Carbon Dioxide-Mediated C(sp<sup>3</sup>)-H Arylation of Amine Substrates.","Journal of the American Chemical Society","2018","140","22","6818","6822","10.1021/jacs.8b05061","","","1.54178","CuKα","","0.0429","0.04","","","0.1204","0.1233","","","","","","1.089","","","","has coordinates","242551","2020-10-21","18:00:00",""
"4132605","43.0969","0.0006","37.9996","0.0004","36.5407","0.0006","90","","110.741","0.002","90","","55963.2","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C450.5 H382.5 B16 F88 Fe8 N76 -","- C450.5 H382.5 B11.15 F68.6 Fe8 N76 -","- C1802 H1530 B44.6 F274.4 Fe32 N304 -","4","1","","Roberts, Derrick A.; Pilgrim, Ben S.; Sirvinskaite, Giedre; Ronson, Tanya K.; Nitschke, Jonathan R.","Covalent Post-assembly Modification Triggers Multiple Structural Transformations of a Tetrazine-Edged Fe<sub>4</sub>L<sub>6</sub> Tetrahedron.","Journal of the American Chemical Society","2018","140","30","9616","9623","10.1021/jacs.8b05082","","","0.6889","synchrotron","","0.1618","0.1462","","","0.381","0.3952","","","","","","1.056","","","","has coordinates,has disorder","242552","2020-10-21","18:00:00",""
"4132606","49.486","0.01","28.207","0.006","48.662","0.009","90","","96.856","0.002","90","","67439","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C640 H639 F138 Fe8 N86 P19 -","- C640 H639 F138 Fe8 N86 P19 -","- C2560 H2556 F552 Fe32 N344 P76 -","4","0.5","","Roberts, Derrick A.; Pilgrim, Ben S.; Sirvinskaite, Giedre; Ronson, Tanya K.; Nitschke, Jonathan R.","Covalent Post-assembly Modification Triggers Multiple Structural Transformations of a Tetrazine-Edged Fe<sub>4</sub>L<sub>6</sub> Tetrahedron.","Journal of the American Chemical Society","2018","140","30","9616","9623","10.1021/jacs.8b05082","","","0.6889","synchrotron","","0.1679","0.1279","","","0.3491","0.3932","","","","","","1.236","","","","has coordinates,has disorder","242553","2020-10-21","18:00:00",""
"4132607","36.2842","0.0007","36.3797","0.0006","49.0016","0.0009","90","","95.956","0.002","90","","64333","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C490 H507 F108 Fe8 N75 O24 P18 -","- C490 H507 F78.6 Fe8 N75 O24 P13.1 -","- C1960 H2028 F314.4 Fe32 N300 O96 P52.4 -","4","0.5","","Roberts, Derrick A.; Pilgrim, Ben S.; Sirvinskaite, Giedre; Ronson, Tanya K.; Nitschke, Jonathan R.","Covalent Post-assembly Modification Triggers Multiple Structural Transformations of a Tetrazine-Edged Fe<sub>4</sub>L<sub>6</sub> Tetrahedron.","Journal of the American Chemical Society","2018","140","30","9616","9623","10.1021/jacs.8b05082","","","0.6889","Synchrotron","","0.1796","0.1607","","","0.4251","0.4404","","","","","","1.165","","","","has coordinates,has disorder","242554","2020-10-21","18:00:00",""
"4132608","6.9433","0.0003","11.2978","0.0011","22.534","0.003","90","","90","","90","","1767.7","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Title","","- C18 H14 Fe O7 -","- C18 H14 Fe O7 -","- C72 H56 Fe4 O28 -","4","1","","Zhuo, Chun-Xiang; Fürstner, Alois","Catalysis-Based Total Syntheses of Pateamine A and DMDA-Pat A.","Journal of the American Chemical Society","2018","140","33","10514","10523","10.1021/jacs.8b05094","","","","","","","","","","","","","","","","","","","","","has coordinates","242555","2020-10-21","18:00:00",""
"4132609","9.816","0.003","18.649","0.004","11.003","0.002","90","","98.09","0.006","90","","1994.1","0.8","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C80 H108 N4 O24 -","4","1","","Kerkovius, Jeff K.; Kerr, Michael A.","Total Synthesis of Isodihydrokoumine, (19 Z)-Taberpsychine, and (4 R)-Isodihydroukoumine N<sub>4</sub>-Oxide.","Journal of the American Chemical Society","2018","140","27","8415","8419","10.1021/jacs.8b05095","","","1.54178","CuKα","","0.0927","0.0812","","","0.2478","0.2613","","","","","","1.07","","","","has coordinates,has disorder","242556","2020-10-21","18:00:00",""
"4132610","9.9399","0.0006","13.1293","0.0007","13.1412","0.0007","114.292","0.002","101.059","0.002","90.719","0.002","1526.07","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H60 Ag2 N6 P4 -","- C72 H60 Ag2 N6 P4 -","- C72 H60 Ag2 N6 P4 -","1","0.5","","Yang, Chen; Zhang, Chong; Zheng, Zhansheng; Jiang, Chao; Luo, Jun; Du, Yang; Hu, Bingcheng; Sun, Chengguo; Christe, Karl O.","Synthesis and Characterization of cyclo-Pentazolate Salts of NH<sub>4</sub><sup>+</sup>, NH<sub>3</sub>OH<sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup>, C(NH<sub>2</sub>)<sub>3</sub><sup>+</sup>, and N(CH<sub>3</sub>)<sub>4</sub><sup/>.","Journal of the American Chemical Society","2018","140","48","16488","16494","10.1021/jacs.8b05106","","","0.71073","MoKα","","0.0613","0.0416","","","0.0798","0.086","","","","","","1.03","","","","has coordinates","242557","2020-10-21","18:00:00",""
"4132611","22.291","0.011","5.553","0.003","6.631","0.003","90","","90","","90","","820.8","0.7","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H6 Ag2 N4 -","- C6 H6 Ag2 N4 -","- C24 H24 Ag8 N16 -","4","1","","Yang, Chen; Zhang, Chong; Zheng, Zhansheng; Jiang, Chao; Luo, Jun; Du, Yang; Hu, Bingcheng; Sun, Chengguo; Christe, Karl O.","Synthesis and Characterization of cyclo-Pentazolate Salts of NH<sub>4</sub><sup>+</sup>, NH<sub>3</sub>OH<sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup>, C(NH<sub>2</sub>)<sub>3</sub><sup>+</sup>, and N(CH<sub>3</sub>)<sub>4</sub><sup/>.","Journal of the American Chemical Society","2018","140","48","16488","16494","10.1021/jacs.8b05106","","","0.71073","MoKα","","0.1137","0.0903","","","0.2028","0.2186","","","","","","1.186","","","","has coordinates","242558","2020-10-21","18:00:00",""
"4132612","39.554","0.003","39.554","0.003","16.43","0.0015","90","","90","","120","","22261","3","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C94 H53.6 O33.7 V1.1 Zr6 -","- C94 H53.6 O33.12 V1.02 Zr6 -","- C282 H160.8 O99.36 V3.06 Zr18 -","3","0.125","","Otake, Ken-Ichi; Cui, Yuexing; Buru, Cassandra T.; Li, Zhanyong; Hupp, Joseph T.; Farha, Omar K.","Single-Atom-Based Vanadium Oxide Catalysts Supported on Metal-Organic Frameworks: Selective Alcohol Oxidation and Structure-Activity Relationship.","Journal of the American Chemical Society","2018","140","28","8652","8656","10.1021/jacs.8b05107","","","0.71073","MoKα","","0.0963","0.0727","","","0.2307","0.2487","","","","","","1.098","","","","has coordinates,has disorder","242559","2020-10-21","18:00:00",""
"4132613","34.9765","0.001","34.9765","0.001","34.9765","0.001","90","","90","","90","","42789","2","100","2","100","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C18 H6 Hf6 O33.1 V1.5 -","- C18 H6 Hf6 O33.0792 V1.5 -","- C288 H96 Hf96 O529.267 V24 -","16","0.0833333","","Otake, Ken-Ichi; Cui, Yuexing; Buru, Cassandra T.; Li, Zhanyong; Hupp, Joseph T.; Farha, Omar K.","Single-Atom-Based Vanadium Oxide Catalysts Supported on Metal-Organic Frameworks: Selective Alcohol Oxidation and Structure-Activity Relationship.","Journal of the American Chemical Society","2018","140","28","8652","8656","10.1021/jacs.8b05107","","","1.54178","CuKα","","0.0411","0.0354","","","0.1277","0.1312","","","","","","1.165","","","","has coordinates,has disorder","242559","2020-10-21","18:00:00",""
"4132614","34.893","0.003","34.893","0.003","34.893","0.003","90","","90","","90","","42483","6","100","2","100","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C18 H6 Hf6 O34.4 V1.44 -","- C18 H6 Hf6 O34.3992 V1.44 -","- C288 H96 Hf96 O550.387 V23.04 -","16","0.0833333","","Otake, Ken-Ichi; Cui, Yuexing; Buru, Cassandra T.; Li, Zhanyong; Hupp, Joseph T.; Farha, Omar K.","Single-Atom-Based Vanadium Oxide Catalysts Supported on Metal-Organic Frameworks: Selective Alcohol Oxidation and Structure-Activity Relationship.","Journal of the American Chemical Society","2018","140","28","8652","8656","10.1021/jacs.8b05107","","","0.71073","MoKα","","0.0608","0.0403","","","0.1063","0.114","","","","","","1.02","","","","has coordinates,has disorder","242559","2020-10-21","18:00:00",""
"4132615","22.0129","0.0015","17.2789","0.0012","17.2384","0.0011","90","","115.933","0.004","90","","5896.5","0.7","100","2","100.01","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 Cl Co F12 N5 P2 -","- C27 H23 Cl Co F12 N5 P2 -","- C216 H184 Cl8 Co8 F96 N40 P16 -","8","1","","Wang, Ping; Liang, Guangchao; Reddy, M. Ramana; Long, Melissa; Driskill, Kandria; Lyons, Christian; Donnadieu, Bruno; Bollinger, John C.; Webster, Charles Edwin; Zhao, Xuan","Electronic and Steric Tuning of Catalytic H<sub>2</sub> Evolution by Cobalt Complexes with Pentadentate Polypyridyl-Amine Ligands.","Journal of the American Chemical Society","2018","140","29","9219","9229","10.1021/jacs.8b05108","","","1.54178","CuKα","","0.0877","0.0714","","","0.148","0.1584","","","","","","1.133","","","","has coordinates","242560","2020-10-21","18:00:00",""
"4132616","14.6956","0.0019","17.882","0.003","25.751","0.003","90","","100.363","0.004","90","","6656.6","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H57 Co2 F30 N10 O6 P5 -","- C54 H57 Co2 F30 N10 O6 P5 -","- C216 H228 Co8 F120 N40 O24 P20 -","4","1","","Wang, Ping; Liang, Guangchao; Reddy, M. Ramana; Long, Melissa; Driskill, Kandria; Lyons, Christian; Donnadieu, Bruno; Bollinger, John C.; Webster, Charles Edwin; Zhao, Xuan","Electronic and Steric Tuning of Catalytic H<sub>2</sub> Evolution by Cobalt Complexes with Pentadentate Polypyridyl-Amine Ligands.","Journal of the American Chemical Society","2018","140","29","9219","9229","10.1021/jacs.8b05108","","","0.71073","MoKα","","0.0832","0.0575","","","0.1626","0.1902","","","","","","1.061","","","","has coordinates,has disorder","242561","2020-10-21","18:00:00",""
"4132617","11.6372","0.0004","44.6425","0.0016","20.0826","0.0007","90","","96.7742","0.0011","90","","10360.3","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H32 Cl N5 O P2 Ru -","- C41 H32 Cl N5 O P2 Ru -","- C492 H384 Cl12 N60 O12 P24 Ru12 -","12","3","","Tanushi, Akira; Radosevich, Alexander T.","Insertion of a Nontrigonal Phosphorus Ligand into a Transition Metal-Hydride: Direct Access to a Metallohydrophosphorane.","Journal of the American Chemical Society","2018","140","26","8114","8118","10.1021/jacs.8b05156","","","0.71073","MoKα","","0.0806","0.0436","","","0.096","0.1143","","","","","","1.014","","","","has coordinates,has disorder","242562","2020-10-21","18:00:00",""
"4132618","11.4147","0.0003","24.3387","0.0008","13.5456","0.0004","90","","92.1539","0.0011","90","","3760.57","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H33 Cl4 N5 P2 Ru -","- C41 H33 Cl4 N5 P2 Ru -","- C164 H132 Cl16 N20 P8 Ru4 -","4","1","","Tanushi, Akira; Radosevich, Alexander T.","Insertion of a Nontrigonal Phosphorus Ligand into a Transition Metal-Hydride: Direct Access to a Metallohydrophosphorane.","Journal of the American Chemical Society","2018","140","26","8114","8118","10.1021/jacs.8b05156","","","0.71073","MoKα","","0.0399","0.0278","","","0.0666","0.0722","","","","","","1.041","","","","has coordinates,has disorder","242563","2020-10-21","18:00:00",""
"4132619","23.2935","0.0015","10.5714","0.0007","15.8503","0.001","90","","116.124","0.002","90","","3504.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N5 P -","- C22 H16 N5 P -","- C176 H128 N40 P8 -","8","1","","Tanushi, Akira; Radosevich, Alexander T.","Insertion of a Nontrigonal Phosphorus Ligand into a Transition Metal-Hydride: Direct Access to a Metallohydrophosphorane.","Journal of the American Chemical Society","2018","140","26","8114","8118","10.1021/jacs.8b05156","","","0.71073","MoKα","","0.0523","0.0397","","","0.1028","0.11","","","","","","1.035","","","","has coordinates","242565","2020-10-21","18:00:00",""
"4132620","13.644","0.0018","10.2135","0.0013","21.876","0.003","90","","100.755","0.008","90","","2994.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 B F10 S -","- C33 H23 B F10 S -","- C132 H92 B4 F40 S4 -","4","1","","Fan, Louie; Jupp, Andrew R.; Stephan, Douglas W.","Remote Stereochemistry of a Frustrated Lewis Pair Provides Thermal and Photochemical Control of Reactivity.","Journal of the American Chemical Society","2018","140","26","8119","8123","10.1021/jacs.8b05176","","","0.71073","MoKα","","0.1154","0.0579","","","0.1578","0.2067","","","","","","0.999","","","","has coordinates","242566","2020-10-21","18:00:00",""
"4132621","19.669","0.006","10.679","0.002","20.378","0.004","90","","117.285","0.007","90","","3804.1","1.6","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H13 B F10 S -","- C19 H13 B F10 S -","- C152 H104 B8 F80 S8 -","8","1","","Fan, Louie; Jupp, Andrew R.; Stephan, Douglas W.","Remote Stereochemistry of a Frustrated Lewis Pair Provides Thermal and Photochemical Control of Reactivity.","Journal of the American Chemical Society","2018","140","26","8119","8123","10.1021/jacs.8b05176","","","0.71073","MoKα","","0.0876","0.0473","","","0.0969","0.111","","","","","","1.021","","","","has coordinates","242568","2020-10-21","18:00:00",""
"4132622","18.681","0.0016","11.4846","0.0016","28.874","0.003","90","","108.779","0.005","90","","5865","1.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H23 B F10 S -","- C33 H23 B F10 S -","- C264 H184 B8 F80 S8 -","8","1","","Fan, Louie; Jupp, Andrew R.; Stephan, Douglas W.","Remote Stereochemistry of a Frustrated Lewis Pair Provides Thermal and Photochemical Control of Reactivity.","Journal of the American Chemical Society","2018","140","26","8119","8123","10.1021/jacs.8b05176","","","0.71073","MoKα","","0.0625","0.0422","","","0.1079","0.1244","","","","","","1.062","","","","has coordinates","242569","2020-10-21","18:00:00",""
"4132623","7.6225","0.0016","12.48","0.003","13.343","0.003","99.233","0.005","102.536","0.005","98.225","0.006","1202","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 B F10 S -","- C25 H17 B F10 S -","- C50 H34 B2 F20 S2 -","2","1","","Fan, Louie; Jupp, Andrew R.; Stephan, Douglas W.","Remote Stereochemistry of a Frustrated Lewis Pair Provides Thermal and Photochemical Control of Reactivity.","Journal of the American Chemical Society","2018","140","26","8119","8123","10.1021/jacs.8b05176","","","0.71073","MoKα","","0.1575","0.0559","","","0.1219","0.1758","","","","","","1.012","","","","has coordinates","242570","2020-10-21","18:00:00",""
"4132624","9.3368","0.0006","17.8578","0.0009","16.328","0.0011","90","","101.12","0.002","90","","2671.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 B F10 N S -","- C28 H20 B F10 N S -","- C112 H80 B4 F40 N4 S4 -","4","1","","Fan, Louie; Jupp, Andrew R.; Stephan, Douglas W.","Remote Stereochemistry of a Frustrated Lewis Pair Provides Thermal and Photochemical Control of Reactivity.","Journal of the American Chemical Society","2018","140","26","8119","8123","10.1021/jacs.8b05176","","","0.71073","MoKα","","0.111","0.0504","","","0.0965","0.1203","","","","","","1.005","","","","has coordinates","242571","2020-10-21","18:00:00",""
"4132625","10.054","0.003","12.313","0.004","23.109","0.007","90","","97.593","0.016","90","","2835.7","1.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 B F10 N S -","- C30 H22 B F10 N S -","- C120 H88 B4 F40 N4 S4 -","4","1","","Fan, Louie; Jupp, Andrew R.; Stephan, Douglas W.","Remote Stereochemistry of a Frustrated Lewis Pair Provides Thermal and Photochemical Control of Reactivity.","Journal of the American Chemical Society","2018","140","26","8119","8123","10.1021/jacs.8b05176","","","0.71073","MoKα","","0.1286","0.0603","","","0.1613","0.2344","","","","","","1.068","","","","has coordinates","242572","2020-10-21","18:00:00",""
"4132626","14.2598","0.0006","11.7679","0.0005","15.0014","0.0007","90","","106.365","0.005","90","","2415.37","0.19","293.94","0.19","293.94","0.19","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Ag2 Cl6 N4 S2 -","- C42 H52 Ag2 Cl6 N4 S2 -","- C84 H104 Ag4 Cl12 N8 S4 -","2","0.5","","Doud, Evan A.; Inkpen, Michael S.; Lovat, Giacomo; Montes, Enrique; Paley, Daniel W.; Steigerwald, Michael L.; Vázquez, Héctor; Venkataraman, Latha; Roy, Xavier","In Situ Formation of N-Heterocyclic Carbene-Bound Single-Molecule Junctions.","Journal of the American Chemical Society","2018","140","28","8944","8949","10.1021/jacs.8b05184","","x-ray","0.71073","MoKα","","0.0809","0.053","","","0.1249","0.1433","","","","","","1.033","","","","has coordinates","242573","2020-10-21","18:00:00",""
"4132627","12.3475","0.0008","7.5762","0.0007","23.0412","0.0016","90","","104.263","0.007","90","","2089","0.3","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H25 Cl2 Cu N2 S -","- C20.5 H25 Cl2 Cu N2 S -","- C82 H100 Cl8 Cu4 N8 S4 -","4","1","","Doud, Evan A.; Inkpen, Michael S.; Lovat, Giacomo; Montes, Enrique; Paley, Daniel W.; Steigerwald, Michael L.; Vázquez, Héctor; Venkataraman, Latha; Roy, Xavier","In Situ Formation of N-Heterocyclic Carbene-Bound Single-Molecule Junctions.","Journal of the American Chemical Society","2018","140","28","8944","8949","10.1021/jacs.8b05184","","x-ray","0.71073","MoKα","","0.1138","0.068","","","0.1294","0.1621","","","","","","1.062","","","","has coordinates,has disorder","242574","2020-10-21","18:00:00",""
"4132628","8.5453","0.0003","10.0951","0.0003","12.3151","0.0004","104.024","0.003","106.985","0.003","94.21","0.003","973.77","0.06","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Au Cl N2 S -","- C20 H24 Au Cl N2 S -","- C40 H48 Au2 Cl2 N4 S2 -","2","1","","Doud, Evan A.; Inkpen, Michael S.; Lovat, Giacomo; Montes, Enrique; Paley, Daniel W.; Steigerwald, Michael L.; Vázquez, Héctor; Venkataraman, Latha; Roy, Xavier","In Situ Formation of N-Heterocyclic Carbene-Bound Single-Molecule Junctions.","Journal of the American Chemical Society","2018","140","28","8944","8949","10.1021/jacs.8b05184","","x-ray","1.54184","CuKα","","0.0241","0.0239","","","0.0614","0.0616","","","","","","1.115","","","","has coordinates","242575","2020-10-21","18:00:00",""
"4132629","22.3899","0.0002","17.9598","0.0001","18.6379","0.0002","90","","111.629","0.001","90","","6966.94","0.12","99.97","0.1","99.97","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Au Cl O2 P2 S2 -","- C30 H50 Au Cl O2 P2 S2 -","- C240 H400 Au8 Cl8 O16 P16 S16 -","8","2","","Doud, Evan A.; Inkpen, Michael S.; Lovat, Giacomo; Montes, Enrique; Paley, Daniel W.; Steigerwald, Michael L.; Vázquez, Héctor; Venkataraman, Latha; Roy, Xavier","In Situ Formation of N-Heterocyclic Carbene-Bound Single-Molecule Junctions.","Journal of the American Chemical Society","2018","140","28","8944","8949","10.1021/jacs.8b05184","","x-ray","1.54184","CuKα","","0.041","0.0363","","","0.0896","0.0942","","","","","","1.085","","","","has coordinates,has disorder","242576","2020-10-21","18:00:00",""
"4132630","32.2745","0.0012","7.7536","0.0002","23.0815","0.0007","90","","109.981","0.004","90","","5428.3","0.3","99.9","0.2","99.9","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H30 Au Cl3 N2 S -","- C27 H30 Au Cl3 N2 S -","- C216 H240 Au8 Cl24 N16 S8 -","8","1","","Doud, Evan A.; Inkpen, Michael S.; Lovat, Giacomo; Montes, Enrique; Paley, Daniel W.; Steigerwald, Michael L.; Vázquez, Héctor; Venkataraman, Latha; Roy, Xavier","In Situ Formation of N-Heterocyclic Carbene-Bound Single-Molecule Junctions.","Journal of the American Chemical Society","2018","140","28","8944","8949","10.1021/jacs.8b05184","","x-ray","1.54184","CuKα","","0.0618","0.0586","","","0.1494","0.1522","","","","","","1.034","","","","has coordinates,has disorder","242577","2020-10-21","18:00:00",""
"4132631","9.34","0.0005","9.4284","0.0005","9.9843","0.0005","80.472","0.004","72.891","0.005","73.52","0.004","802.56","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 Au Cl N2 S -","- C14 H20 Au Cl N2 S -","- C28 H40 Au2 Cl2 N4 S2 -","2","1","","Doud, Evan A.; Inkpen, Michael S.; Lovat, Giacomo; Montes, Enrique; Paley, Daniel W.; Steigerwald, Michael L.; Vázquez, Héctor; Venkataraman, Latha; Roy, Xavier","In Situ Formation of N-Heterocyclic Carbene-Bound Single-Molecule Junctions.","Journal of the American Chemical Society","2018","140","28","8944","8949","10.1021/jacs.8b05184","","x-ray","1.54184","CuKα","","0.0419","0.0406","","","0.1037","0.1055","","","","","","1.064","","","","has coordinates","242578","2020-10-21","18:00:00",""
"4132632","17.2695","0.0012","8.4949","0.0006","21.739","0.0015","90","","108.14","0.003","90","","3030.7","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H36 N2 O2 -","- C20 H36 N2 O2 -","- C120 H216 N12 O12 -","6","3","","Poremba, Kelsey E.; Kadunce, Nathaniel T.; Suzuki, Naoyuki; Cherney, Alan H.; Reisman, Sarah E.","Correction to ""Nickel-Catalyzed Asymmetric Reductive Cross-Coupling To Access 1,1-Diarylalkanes"".","Journal of the American Chemical Society","2018","140","24","7746","","10.1021/jacs.8b05247","","","1.54178","CuKα","","0.0387","0.0363","","","0.0969","0.0991","","","","","","1.047","","","","has coordinates","242579","2020-10-21","18:00:00",""
"4132633","20.7123","0.0012","20.7123","0.0012","20.7123","0.0012","90","","90","","90","","8885.6","0.9","100.15","","100.15","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","UiO-66","","- C42.7 H25.4 O32.04 Zr6 -","- C42.72 H25.36 O29.36 Zr6 -","- C170.88 H101.44 O117.44 Zr24 -","4","0.0208333","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","x-ray","0.7288","synchrotron","","0.0223","0.0214","","","0.0569","0.0578","","","","","","1.196","","","","has coordinates,has disorder","242580","2020-10-21","18:00:00",""
"4132634","40.561","0.006","40.561","0.006","40.561","0.006","90","","90","","90","","66731","17","100.15","","100.15","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","MOF-1004_100K_DMf","","- C132 H64 O27 Zr6 -","- C132 H64 O32 Zr6 -","- C792 H384 O192 Zr36 -","6","0.125","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","","1.1271","synchrotron","","0.1146","0.066","","","0.1853","0.292","","","","","","1.198","","","","has coordinates","242581","2020-10-21","18:00:00",""
"4132635","26.8422","0.0006","26.8422","0.0006","26.8422","0.0006","90","","90","","90","","19339.9","0.7","260.15","","260.15","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","UiO-67","","- C64.5 H41 O28.5 Zr6 -","- C64.716 H40.96 O32 Zr6 -","- C258.864 H163.84 O128 Zr24 -","4","0.0208333","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","x-ray","1.54178","CuKα","","0.0303","0.026","","","0.0719","0.0737","","","","","","1.181","","","","has coordinates,has disorder","242582","2020-10-21","18:00:00",""
"4132636","20.7439","0.0006","20.7439","0.0006","20.7439","0.0006","90","","90","","90","","8926.3","0.4","100.15","","100.15","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Uio-66","","- C42.7 H25.4 O32.04 Zr6 -","- C42.72 H25.36 O32 Zr6 -","- C170.88 H101.44 O128 Zr24 -","4","0.0208333","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","x-ray","0.7288","","","0.044","0.0361","","","0.1035","0.1101","","","","","","1.095","","","","has coordinates,has disorder","242583","2020-10-21","18:00:00",""
"4132637","41.367","0.005","41.367","0.005","41.367","0.005","90","","90","","90","","70788","15","290","","290.15","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","MOF-1004","","- C132 H64 O27 Zr6 -","- C132 H64 O32 Zr6 -","- C792 H384 O192 Zr36 -","6","0.125","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","","1.1271","synchrotron","","0.0476","0.0419","","","0.1155","0.124","","","","","","1.059","","","","has coordinates","242584","2020-10-21","18:00:00",""
"4132638","26.684","0.0014","26.684","0.0014","26.684","0.0014","90","","90","","90","","19000","1.7","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","UiO-67","","- C64.5 H41 O28.5 Zr6 -","- C64.68 H40.96 O32 Zr6 -","- C258.72 H163.84 O128 Zr24 -","4","0.0208333","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","x-ray","1.54178","CuKα","","0.0572","0.0486","","","0.1148","0.1206","","","","","","1.166","","","","has coordinates,has disorder","242585","2020-10-21","18:00:00",""
"4132639","20.7549","0.0006","20.7549","0.0006","20.7549","0.0006","90","","90","","90","","8940.5","0.4","100.15","","100.15","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","UiO-66","","- C42.7 H25.4 O32.04 Zr6 -","- C42.72 H25.36 O32 Zr6 -","- C170.88 H101.44 O128 Zr24 -","4","0.0208333","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","x-ray","0.7288","Synchrotron","","0.0439","0.0384","","","0.1008","0.1043","","","","","","1.104","","","","has coordinates,has disorder","242586","2020-10-21","18:00:00",""
"4132640","26.8341","0.0017","26.8341","0.0017","26.8341","0.0017","90","","90","","90","","19322","2","260","","260.15","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","UiO-67","","- C84 H52 O32 Zr6 -","- C80.64 H50.08 O32 Zr6 -","- C322.56 H200.32 O128 Zr24 -","4","0.0208333","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","","0.7749","synchrotron","","0.0563","0.0527","","","0.1512","0.1549","","","","","","1.201","","","","has coordinates,has disorder","242587","2020-10-21","18:00:00",""
"4132641","38.764","0.003","38.764","0.003","38.764","0.003","90","","90","","90","","58249","8","290","2","290.15","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","MOF-1005","","- C144 H72 O38.4 Zr7.2 -","- C144 H72 O38.4 Zr7.2 -","- C432 H216 O115.2 Zr21.6 -","3","0.0625","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","","1.1271","","","0.1851","0.156","","","0.4181","0.4636","","","","","","2.234","","","","has coordinates,has disorder","242588","2020-10-21","18:00:00",""
"4132642","10.1551","0.0004","15.5316","0.0008","20.0248","0.0011","90","","90.702","0.004","90","","3158.2","0.3","192.99","0.1","192.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H36 F3 O21 S V6 -","- C13 H36 F3 O21 S V6 -","- C52 H144 F12 O84 S4 V24 -","4","1","","Petel, Brittney E.; Brennessel, William W.; Matson, Ellen M.","Oxygen-Atom Vacancy Formation at Polyoxovanadate Clusters: Homogeneous Models for Reducible Metal Oxides.","Journal of the American Chemical Society","2018","140","27","8424","8428","10.1021/jacs.8b05298","","x-ray","1.54184","CuKα","","0.0684","0.0568","","","0.1498","0.1598","","","","","","1.065","","","","has coordinates,has disorder","242589","2020-10-21","18:00:00",""
"4132643","33.494","0.003","33.494","0.003","17.224","0.0017","90","","90","","120","","16734","3","100","2","100.01","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C264 H252 F12 N36 P2 -","- C264 H252 F12.0012 N36 P2.0002 -","- C792 H756 F36.0036 N108 P6.0006 -","3","0.166667","","Liu, Zhichang; Frasconi, Marco; Liu, Wei-Guang; Zhang, Yu; Dyar, Scott M.; Shen, Dengke; Sarjeant, Amy A.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Mixed-Valence Superstructure Assembled from a Mixed-Valence Host-Guest Complex.","Journal of the American Chemical Society","2018","140","30","9387","9391","10.1021/jacs.8b05322","","","1.54178","CuKα","","0.06","0.0534","","","0.1722","0.1809","","","","","","1.096","","","","has coordinates,has disorder","242590","2020-10-21","18:00:00",""
"4132644","10.983","0.0004","16.5417","0.0007","9.7709","0.0006","90","","102.979","0.001","90","","1729.8","0.14","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H20 O6 S -","- C17 H20 O6 S -","- C68 H80 O24 S4 -","4","1","","Huang, Hanchu; Sun, Bohan; Huang, Yingzi; Niu, Jia","Radical Cascade-Triggered Controlled Ring-Opening Polymerization of Macrocyclic Monomers.","Journal of the American Chemical Society","2018","140","33","10402","10406","10.1021/jacs.8b05365","","","1.54178","CuKα","","0.025","0.0248","","","0.0639","0.0642","","","","","","1.019","","","","has coordinates","242591","2020-10-21","18:00:00",""
"4132645","10.9353","0.0011","13.4608","0.0014","14.6526","0.0015","90","","90","","90","","2156.8","0.4","190","2","190","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H37 N Si Ti -","- C21 H37 N Si Ti -","- C84 H148 N4 Si4 Ti4 -","4","0.5","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0598","0.0518","","","0.1397","0.1494","","","","","","1.023","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132646","11.1297","0.0015","13.3297","0.0018","29.346","0.004","90","","90.0065","0.0017","90","","4353.6","1","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H37 N Si Zr -","- C21 H37 N Si Zr -","- C168 H296 N8 Si8 Zr8 -","8","2","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0327","0.0297","","","0.0905","0.0957","","","","","","1.144","","","","has coordinates,has disorder","242592","2020-10-21","18:00:00",""
"4132647","11.0664","0.0014","13.3567","0.0017","29.381","0.004","90","","90.0186","0.0016","90","","4342.8","1","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H37 Hf N Si -","- C21 H37 Hf N Si -","- C168 H296 Hf8 N8 Si8 -","8","2","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0267","0.0255","","","0.0597","0.0604","","","","","","1.189","","","","has coordinates,has disorder","242592","2020-10-21","18:00:00",""
"4132648","19.119","0.002","10.0925","0.0012","17.663","0.002","90","","104.751","0.002","90","","3295.9","0.6","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 N3 Si Ti -","- C31 H55 N3 Si Ti -","- C124 H220 N12 Si4 Ti4 -","4","1","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0696","0.0442","","","0.1101","0.1265","","","","","","0.969","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132649","9.827","0.002","16.38","0.003","16.788","0.003","90","","93.032","0.003","90","","2698.5","0.9","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H46 Hf N2 Si -","- C26 H46 Hf N2 Si -","- C104 H184 Hf4 N8 Si4 -","4","1","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0239","0.0182","","","0.0424","0.0447","","","","","","1.038","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132650","10.0272","0.0003","11.4817","0.0004","14.1819","0.0005","79.88","","77.87","","86.752","0.001","1571.13","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H55 Hf N3 Si -","- C31 H55 Hf N3 Si -","- C62 H110 Hf2 N6 Si2 -","2","1","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0203","0.0186","","","0.0448","0.0457","","","","","","1.045","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132651","13.7387","0.0006","14.6755","0.0007","18.1687","0.0008","84.7857","0.0006","77.1608","0.0006","89.5164","0.0006","3556.6","0.3","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H55 Hf N3 Si -","- C39 H55 Hf N3 Si -","- C156 H220 Hf4 N12 Si4 -","4","2","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0456","0.0345","","","0.077","0.081","","","","","","1.107","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132652","13.7071","0.0016","14.6675","0.0017","18.238","0.002","84.8197","0.0017","77.1803","0.0017","89.5273","0.0017","3560.5","0.7","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H55 N3 Si Zr -","- C39 H55 N3 Si Zr -","- C156 H220 N12 Si4 Zr4 -","4","2","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0793","0.0652","","","0.1796","0.1928","","","","","","1.134","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132653","42.519","0.003","9.1392","0.0007","31.749","0.002","90","","127.762","0.0009","90","","9753.4","1.2","190","2","190","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H42 N2 Si Ti -","- C22 H42 N2 Si Ti -","- C352 H672 N32 Si16 Ti16 -","16","2","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0812","0.0593","","","0.1531","0.1688","","","","","","1.034","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132654","10.297","0.004","15.025","0.005","19.462","0.007","90","","101.74","0.005","90","","2948","1.8","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H51 N3 Si Ti -","- C27 H51 N3 Si Ti -","- C108 H204 N12 Si4 Ti4 -","4","1","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0683","0.0635","","","0.1741","0.1811","","","","","","1.128","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132655","16.28","0.002","10.6344","0.0014","18.997","0.003","90","","108.879","0.002","90","","3112","0.7","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H51 N3 Si Ti -","- C31 H51 N3 Si Ti -","- C124 H204 N12 Si4 Ti4 -","4","1","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0681","0.044","","","0.1152","0.1297","","","","","","1.017","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132656","16.882","0.003","11.9432","0.0019","30.22","0.005","90","","90","","90","","6093.1","1.8","230","2","230","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H51 Hf N3 Si -","- C27 H51 Hf N3 Si -","- C216 H408 Hf8 N24 Si8 -","8","1","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0322","0.0238","","","0.0543","0.0592","","","","","","1.104","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132657","8.9983","0.0011","9.3045","0.0015","9.3473","0.001","110.886","0.012","93.34","0.01","100.809","0.012","711.5","0.18","245","6","245","6","","","","","","","","6","P 1","P 1","1","","","","- C26 H28 Br Cl3 N4 O3 -","- C26 H28 Br Cl3 N4 O3 -","- C26 H28 Br Cl3 N4 O3 -","1","1","","Chen, Si-Kai; Ma, Wen-Qiang; Yan, Zhi-Bo; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang; Zhang, Xiao-Ming; Tian, Jin-Miao","Organo-Cation Catalyzed Asymmetric Homo/Heterodialkylation of Bisoxindoles: Construction of Vicinal All-Carbon Quaternary Stereocenters and Total Synthesis of (-)-Chimonanthidine.","Journal of the American Chemical Society","2018","140","32","10099","10103","10.1021/jacs.8b05386","","","0.71073","MoKα","","0.0709","0.0479","","","0.088","0.1008","","","","","","1.03","","","","has coordinates","242593","2020-10-21","18:00:00",""
"4132658","11.494","0.0002","11.7725","0.0002","12.7954","0.0003","78.086","0.001","76.309","0.001","77.663","0.001","1621.03","0.06","150","2","149.99","","","","","","","","","4","P 1","P 1","1","","","","- C32 H36 N2 O10 -","- C32 H36 N2 O10 -","- C64 H72 N4 O20 -","2","2","","Chen, Si-Kai; Ma, Wen-Qiang; Yan, Zhi-Bo; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang; Zhang, Xiao-Ming; Tian, Jin-Miao","Organo-Cation Catalyzed Asymmetric Homo/Heterodialkylation of Bisoxindoles: Construction of Vicinal All-Carbon Quaternary Stereocenters and Total Synthesis of (-)-Chimonanthidine.","Journal of the American Chemical Society","2018","140","32","10099","10103","10.1021/jacs.8b05386","","","1.54178","CuKα","","0.0516","0.0468","","","0.1136","0.1196","","","","","","1.089","","","","has coordinates","242594","2020-10-21","18:00:00",""
"4132659","10.258","0.004","10.444","0.004","13.218","0.006","84.484","0.014","81.981","0.018","81.287","0.013","1382","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 B Fe N3 O4 -","- C29 H34 B Fe N3 O4 -","- C58 H68 B2 Fe2 N6 O8 -","2","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0529","0.0367","","","0.0769","0.083","","","","","","1.039","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132660","17.203","0.007","10.435","0.004","17.352","0.006","90","","110.324","0.019","90","","2921","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 B Cr N3 O5 -","- C30 H34 B Cr N3 O5 -","- C120 H136 B4 Cr4 N12 O20 -","4","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0914","0.0478","","","0.0848","0.0993","","","","","","1.026","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132661","19.2348","0.0013","11.0028","0.0007","29.4015","0.0015","90","","90","","90","","6222.4","0.7","100","2","100","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C63 H76 B Cu F3 Fe N5 O7 S -","- C63 H76 B Cu F3 Fe N5 O7 S -","- C252 H304 B4 Cu4 F12 Fe4 N20 O28 S4 -","4","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0661","0.0504","","","0.1068","0.1115","","","","","","1.061","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4132662","17.23","0.005","10.613","0.003","17.382","0.005","90","","110.349","0.01","90","","2980.1","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 B N3 O5 W -","- C30 H34 B N3 O5 W -","- C120 H136 B4 N12 O20 W4 -","4","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0482","0.0265","","","0.0422","0.0469","","","","","","1.024","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132663","10.426","0.004","10.476","0.004","13.17","0.004","82.804","0.012","84.581","0.012","81.381","0.016","1406.8","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 B N3 O4 Ru -","- C29 H34 B N3 O4 Ru -","- C58 H68 B2 N6 O8 Ru2 -","2","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0252","0.0223","","","0.0574","0.0592","","","","","","1.107","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132664","19.425","0.006","21.843","0.008","25.309","0.008","90","","90","","90","","10739","6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H68 B2 Br4 N6 -","- C50 H68 B2 Br4 N6 -","- C400 H544 B16 Br32 N48 -","8","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0582","0.033","","","0.0724","0.0834","","","","","","1.017","","","","has coordinates,has disorder","242595","2020-10-21","18:00:00",""
"4132665","12.069","0.006","15.099","0.007","16.022","0.007","74.434","0.015","73.19","0.02","83.7","0.02","2691","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H43 B2 F15 N3 O4 Ru -","- C56 H43 B2 F15 N3 O4 Ru -","- C112 H86 B4 F30 N6 O8 Ru2 -","2","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0376","0.0277","","","0.0628","0.0679","","","","","","1.093","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132666","17.02","0.007","12.696","0.005","11.809","0.005","90","","90.977","0.017","90","","2551.4","1.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H41 B Br2 N2 -","- C24 H41 B Br2 N2 -","- C96 H164 B4 Br8 N8 -","4","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0683","0.06","","","0.1558","0.1599","","","","","","1.113","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132667","29.725","0.003","8.1656","0.0008","18.9301","0.0018","90","","90","","90","","4594.8","0.8","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16.67 H22.67 B0.67 N2 -","- C16.6667 H22.6667 B0.666667 N2 -","- C200 H272 B8 N24 -","12","1.5","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0579","0.046","","","0.1105","0.1178","","","","","","1.072","","","","has coordinates,has disorder","242595","2020-10-21","18:00:00",""
"4132668","8.5109","0.0007","17.7724","0.0014","14.743","0.0012","90","","98.972","0.002","90","","2202.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H41 B N2 -","- C24 H41 B N2 -","- C96 H164 B4 N8 -","4","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0523","0.042","","","0.1039","0.1126","","","","","","1.037","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132669","9.4346","0.0004","24.9229","0.0007","14.8706","0.0006","90","","99.894","0.003","90","","3444.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H49 B Cl2 N2 Si2 -","- C26 H49 B Cl2 N2 Si2 -","- C104 H196 B4 Cl8 N8 Si8 -","4","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0576","0.0403","","","0.0946","0.1028","","","","","","1.028","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132670","9.18","0.008","9.199","0.007","20.177","0.016","98.295","0.019","92.95","0.03","117.259","0.018","1485","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H49 B Cl N2 Si2 -","- C26 H49 B Cl N2 Si2 -","- C52 H98 B2 Cl2 N4 Si4 -","2","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.04","0.0325","","","0.079","0.0835","","","","","","1.07","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132671","10.3571","0.0005","11.0882","0.0004","14.0186","0.0007","92.908","0.003","101.465","0.004","90.026","0.003","1575.67","0.13","98","2","98","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H23 N -","- C20 H23 N -","- C80 H92 N4 -","4","2","","Nguyen, Vu T.; Dang, Hang T.; Pham, Hoang H.; Nguyen, Viet D.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V.","Highly Regio- and Stereoselective Catalytic Synthesis of Conjugated Dienes and Polyenes.","Journal of the American Chemical Society","2018","140","27","8434","8438","10.1021/jacs.8b05421","","x-ray","0.71073","MoKα","","0.0848","0.0842","","","0.1516","0.1519","","","","","","1.055","","","","has coordinates","242598","2020-10-21","18:00:00",""
"4132672","12.9391","0.0004","8.796","0.0002","13.4951","0.0004","90","","104.676","0.003","90","","1485.8","0.07","98","2","98","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N -","- C19 H21 N -","- C76 H84 N4 -","4","1","","Nguyen, Vu T.; Dang, Hang T.; Pham, Hoang H.; Nguyen, Viet D.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V.","Highly Regio- and Stereoselective Catalytic Synthesis of Conjugated Dienes and Polyenes.","Journal of the American Chemical Society","2018","140","27","8434","8438","10.1021/jacs.8b05421","","x-ray","0.71073","MoKα","","0.0748","0.0743","","","0.1447","0.145","","","","","","1.044","","","","has coordinates","242599","2020-10-21","18:00:00",""
"4132673","3.9327","0.0002","20.3504","0.0008","12.8881","0.0005","90","","95.764","0.004","90","","1026.25","0.08","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Cl N -","- C13 H10 Cl N -","- C52 H40 Cl4 N4 -","4","1","","Nguyen, Vu T.; Dang, Hang T.; Pham, Hoang H.; Nguyen, Viet D.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V.","Highly Regio- and Stereoselective Catalytic Synthesis of Conjugated Dienes and Polyenes.","Journal of the American Chemical Society","2018","140","27","8434","8438","10.1021/jacs.8b05421","","x-ray","0.71073","MoKα","","0.0871","0.0854","","","0.1478","0.1486","","","","","","1.171","","","","has coordinates","242600","2020-10-21","18:00:00",""
"4132674","7.82299","0.00016","17.3405","0.0004","13.9697","0.0003","90","","96.824","0.002","90","","1881.63","0.07","160","1","160","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 -","- C30 H20 -","- C120 H80 -","4","1","","Ravat, Prince; Šolomek, Tomáš; Häussinger, Daniel; Blacque, Olivier; Juríček, Michal","Dimethylcethrene: A Chiroptical Diradicaloid Photoswitch.","Journal of the American Chemical Society","2018","140","34","10839","10847","10.1021/jacs.8b05465","","x-ray","0.71073","MoKα","","0.0621","0.0524","","","0.1461","0.153","","","","","","1.037","","","","has coordinates","242601","2020-10-21","18:00:00",""
"4132675","9.2601","0.0011","14.986","0.0011","14.9657","0.0014","90","","107.491","0.004","90","","1980.8","0.3","123","","123","","","","","","","","P. Ravat","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 O2 -","- C30 H22 O2 -","- C120 H88 O8 -","4","0.5","","Ravat, Prince; Šolomek, Tomáš; Häussinger, Daniel; Blacque, Olivier; Juríček, Michal","Dimethylcethrene: A Chiroptical Diradicaloid Photoswitch.","Journal of the American Chemical Society","2018","140","34","10839","10847","10.1021/jacs.8b05465","","","1.54178","CuKα","","0.0357","0.0354","","0.083","0.0826","0.083","","","","","","0.9553","","","","has coordinates","242602","2020-10-21","18:00:00",""
"4132676","23.143","0.008","15.393","0.005","12.944","0.005","90","","90","","90","","4611","3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","MeMeCH2x2DEF","","","- C50 H62 N2 O10 -","- C49.996 H64 N2 O9.996 -","- C199.984 H256 N8 O39.984 -","4","0.5","","Brekalo, Ivana; Kane, Christopher M.; Ley, Amanda N.; Ramirez, Joseph R.; Friščić, Tomislav; Holman, K. Travis","Use of a ""Shoe-Last"" Solid-State Template in the Mechanochemical Synthesis of High-Porosity RHO-Zinc Imidazolate.","Journal of the American Chemical Society","2018","140","32","10104","10108","10.1021/jacs.8b05471","","x-ray","0.71073","MoKα","","0.0865","0.0674","","","0.214","0.237","","","","","","0.925","","","","has coordinates","242603","2020-10-21","18:00:00",""
"4132677","15.482","0.003","16.274","0.003","15.976","0.003","90","","90","","90","","4025.2","1.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","MeMeCH2x2DMF","","","- C46 H54 N2 O10 -","- C46 H54 N2 O10 -","- C184 H216 N8 O40 -","4","0.5","","Brekalo, Ivana; Kane, Christopher M.; Ley, Amanda N.; Ramirez, Joseph R.; Friščić, Tomislav; Holman, K. Travis","Use of a ""Shoe-Last"" Solid-State Template in the Mechanochemical Synthesis of High-Porosity RHO-Zinc Imidazolate.","Journal of the American Chemical Society","2018","140","32","10104","10108","10.1021/jacs.8b05471","","x-ray","0.71073","MoKα","","0.0559","0.0506","","","0.1145","0.1161","","","","","","1.238","","","","has coordinates","242604","2020-10-21","18:00:00",""
"4132678","28.6715","0.0014","28.6715","0.0014","28.6715","0.0014","90","","90","","90","","23570","2","100","2","100","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","MeMeCH2@rhoZnIm2-xDMF","xMeMeCH2@rhoZn16Im32-xDMF","","- C208 H304 N88 O32 Zn16 -","- C136 H140 N64 O8 Zn16 -","- C408 H420 N192 O24 Zn48 -","3","0.0625","","Brekalo, Ivana; Kane, Christopher M.; Ley, Amanda N.; Ramirez, Joseph R.; Friščić, Tomislav; Holman, K. Travis","Use of a ""Shoe-Last"" Solid-State Template in the Mechanochemical Synthesis of High-Porosity RHO-Zinc Imidazolate.","Journal of the American Chemical Society","2018","140","32","10104","10108","10.1021/jacs.8b05471","","","0.71073","MoKα","","0.1851","0.1227","","","0.4312","0.5047","","","","","","2.075","","","","has coordinates,has disorder","242605","2020-10-21","18:00:00",""
"4132679","7.4475","0.001","11.6494","0.0015","26.153","0.003","90","","90.314","0.007","90","","2269","0.5","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 N -","- C28 H41 N -","- C112 H164 N4 -","4","1","","Weinstein, Cory M.; Junor, Glen P.; Tolentino, Daniel R.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Highly Ambiphilic Room Temperature Stable Six-Membered Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","29","9255","9260","10.1021/jacs.8b05518","","","0.71073","MoKα","","0.0462","0.0401","","","0.1079","0.1135","","","","","","1.046","","","","has coordinates","242606","2020-10-21","18:00:00",""
"4132680","9.0915","0.001","19.517","0.0019","14.058","0.003","90","","103.301","0.007","90","","2427.5","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Cl N Pd -","- C26 H42 Cl N Pd -","- C104 H168 Cl4 N4 Pd4 -","4","1","","Weinstein, Cory M.; Junor, Glen P.; Tolentino, Daniel R.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Highly Ambiphilic Room Temperature Stable Six-Membered Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","29","9255","9260","10.1021/jacs.8b05518","","x-ray","0.71073","MoKα","","0.0369","0.0269","","","0.0595","0.0637","","","","","","1.025","","","","has coordinates,has disorder","242607","2020-10-21","18:00:00",""
"4132681","11.9071","0.0006","13.5787","0.0006","15.2077","0.0007","90","","90.716","0.002","90","","2458.6","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H40 Cl N Pd -","- C25 H40 Cl N Pd -","- C100 H160 Cl4 N4 Pd4 -","4","1","","Weinstein, Cory M.; Junor, Glen P.; Tolentino, Daniel R.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Highly Ambiphilic Room Temperature Stable Six-Membered Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","29","9255","9260","10.1021/jacs.8b05518","","x-ray","1.54178","CuKα","","0.0335","0.0284","","","0.0718","0.0757","","","","","","1.058","","","","has coordinates,has disorder","242608","2020-10-21","18:00:00",""
"4132682","10.6312","0.0009","13.2056","0.001","17.7225","0.0015","90","","90","","90","","2488.1","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 Au Cl N -","- C28 H41 Au Cl N -","- C112 H164 Au4 Cl4 N4 -","4","1","","Weinstein, Cory M.; Junor, Glen P.; Tolentino, Daniel R.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Highly Ambiphilic Room Temperature Stable Six-Membered Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","29","9255","9260","10.1021/jacs.8b05518","","x-ray","0.71073","MoKα","","0.0201","0.019","","","0.0406","0.041","","","","","","0.77","","","","has coordinates","242609","2020-10-21","18:00:00",""
"4132683","9.9542","0.0003","15.6195","0.0004","17.9011","0.0006","90","","103.015","0.002","90","","2711.76","0.14","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H41 Cl N O2 Rh -","- C30 H41 Cl N O2 Rh -","- C120 H164 Cl4 N4 O8 Rh4 -","4","1","","Weinstein, Cory M.; Junor, Glen P.; Tolentino, Daniel R.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Highly Ambiphilic Room Temperature Stable Six-Membered Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","29","9255","9260","10.1021/jacs.8b05518","","","0.71073","MoKα","","0.0586","0.0438","","","0.1039","0.1115","","","","","","1.054","","","","has coordinates","242610","2020-10-21","18:00:00",""
"4132684","11.7666","0.0004","21.1781","0.0006","16.7826","0.0005","90","","93.451","0.001","90","","4174.5","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 Cl6 F3 N P2 Pt Sb -","- C40 H33 Cl6 F3 N P2 Pt Sb -","- C160 H132 Cl24 F12 N4 P8 Pt4 Sb4 -","4","1","","You, Di; Yang, Haifeng; Sen, Srobona; Gabbaï, François P","Modulating the σ-Accepting Properties of an Antimony Z-type Ligand via Anion Abstraction: Remote-Controlled Reactivity of the Coordinated Platinum Atom.","Journal of the American Chemical Society","2018","140","30","9644","9651","10.1021/jacs.8b05520","","","0.71073","MoKα","","0.0381","0.025","","","0.0403","0.0428","","","","","","1.037","","","","has coordinates","288474","2023-12-21","14:34:49",""
"4132685","9.675","0.005","13.608","0.007","17.248","0.009","69.737","0.005","77.03","0.005","80.654","0.005","2067","1.9","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H41 Cl2 F3 N P2 Pt Sb -","- C44 H41 Cl2 F3 N P2 Pt Sb -","- C88 H82 Cl4 F6 N2 P4 Pt2 Sb2 -","2","1","","You, Di; Yang, Haifeng; Sen, Srobona; Gabbaï, François P","Modulating the σ-Accepting Properties of an Antimony Z-type Ligand via Anion Abstraction: Remote-Controlled Reactivity of the Coordinated Platinum Atom.","Journal of the American Chemical Society","2018","140","30","9644","9651","10.1021/jacs.8b05520","","","0.71073","MoKα","","0.0484","0.036","","","0.0797","0.0857","","","","","","1.011","","","","has coordinates","288474","2023-12-21","14:34:54",""
"4132686","12.914","0.005","13.432","0.005","13.461","0.005","77.264","0.004","67.504","0.004","82.244","0.004","2100.9","1.4","273","2","273","2","","","","","","","","9","P -1","-P 1","2","","","","- C79.01 H62 F9.03 N2 O11.03 P4 Pt2 S3.01 Sb2 -","- C79.008 H63 F9.024 N2 O11.024 P4 Pt2 S3.008 Sb2 -","- C79.008 H63 F9.024 N2 O11.024 P4 Pt2 S3.008 Sb2 -","1","0.5","","You, Di; Yang, Haifeng; Sen, Srobona; Gabbaï, François P","Modulating the σ-Accepting Properties of an Antimony Z-type Ligand via Anion Abstraction: Remote-Controlled Reactivity of the Coordinated Platinum Atom.","Journal of the American Chemical Society","2018","140","30","9644","9651","10.1021/jacs.8b05520","","","0.71073","MoKα","","0.0414","0.0354","","","0.0797","0.0822","","","","","","1.098","","","","has coordinates,has disorder","288474","2023-12-21","14:35:06",""
"4132687","9.07","0.003","18.827","0.007","19.304","0.007","70.644","0.004","78.561","0.004","78.51","0.005","3016.4","1.9","273","2","273","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H41 B F18 N O P2 Pt Sb -","- C60 H41 B F18 N O P2 Pt Sb -","- C120 H82 B2 F36 N2 O2 P4 Pt2 Sb2 -","2","1","","You, Di; Yang, Haifeng; Sen, Srobona; Gabbaï, François P","Modulating the σ-Accepting Properties of an Antimony Z-type Ligand via Anion Abstraction: Remote-Controlled Reactivity of the Coordinated Platinum Atom.","Journal of the American Chemical Society","2018","140","30","9644","9651","10.1021/jacs.8b05520","","","0.71073","MoKα","","0.1106","0.0662","","","0.1743","0.2009","","","","","","1.015","","","","has coordinates","288475","2023-12-21","14:46:55",""
"4132688","8.936","0.002","19.412","0.005","20.369","0.005","115.125","0.003","102.188","0.003","92.038","0.003","3095.5","1.3","110","","110","","","","","","","","","9","P -1","-P 1","2","","","","- C125.14 H84.28 B2 Cl6.28 F36 N2 P4 Pt2 Sb2 -","- C125.14 H84.28 B2 Cl6.28 F36 N2 P4 Pt2 Sb2 -","- C125.14 H84.28 B2 Cl6.28 F36 N2 P4 Pt2 Sb2 -","1","0.5","","You, Di; Yang, Haifeng; Sen, Srobona; Gabbaï, François P","Modulating the σ-Accepting Properties of an Antimony Z-type Ligand via Anion Abstraction: Remote-Controlled Reactivity of the Coordinated Platinum Atom.","Journal of the American Chemical Society","2018","140","30","9644","9651","10.1021/jacs.8b05520","","","0.71073","MoKα","","0.0458","0.0359","","","0.0866","0.0913","","","","","","1.043","","","","has coordinates,has disorder","242611","2020-10-21","18:00:00",""
"4132689","9.2522","0.0008","10.3247","0.0009","19.5321","0.0016","90","","90","","90","","1865.8","0.3","100","","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cl N O3 -","- C20 H24 Cl N O3 -","- C80 H96 Cl4 N4 O12 -","4","1","","Deng, Lin; Chen, Mengqing; Dong, Guangbin","Concise Synthesis of (-)-Cycloclavine and (-)-5- epi-Cycloclavine via Asymmetric C-C Activation.","Journal of the American Chemical Society","2018","140","30","9652","9658","10.1021/jacs.8b05549","","","0.71073","MoKα","","0.0689","0.0485","","","0.1097","0.1175","","","","","","1.041","","","","has coordinates","242612","2020-10-21","18:00:00",""
"4132690","29.948","0.006","29.987","0.006","29.283","0.006","90","","101.13","0.03","90","","25803","9","100","0.1","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C88 H56 Cl4 F12 N16 O13 Re4 S4 -","- C88 H56 Cl4 F12 N16 O13 Re4 S4 -","- C704 H448 Cl32 F96 N128 O104 Re32 S32 -","8","1","","Haviv, Eynat; Azaiza-Dabbah, Dima; Carmieli, Raanan; Avram, Liat; Martin, Jan M. L.; Neumann, Ronny","A Thiourea Tether in the Second Coordination Sphere as a Binding Site for CO<sub>2</sub> and a Proton Donor Promotes the Electrochemical Reduction of CO<sub>2</sub> to CO Catalyzed by a Rhenium Bipyridine-Type Complex.","Journal of the American Chemical Society","2018","140","39","12451","12456","10.1021/jacs.8b05658","","","0.71073","MoKα","","0.0423","0.0341","","","0.0888","0.0919","","","","","","1.083","","","","has coordinates","242613","2020-10-21","18:00:00",""
"4132691","12.941","0.0003","13.1806","0.0003","18.8817","0.0004","90","","90","","90","","3220.65","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H42 O7 -","- C36 H42 O7 -","- C144 H168 O28 -","4","1","","Liu, Wei; Ali, Siraj Z.; Ammann, Stephen E.; White, M. Christina","Asymmetric Allylic C-H Alkylation via Palladium(II)/ cis-ArSOX Catalysis.","Journal of the American Chemical Society","2018","140","34","10658","10662","10.1021/jacs.8b05668","","","1.54178","CuKα","","0.0427","0.0391","","","0.0943","0.0971","","","","","","1.165","","","","has coordinates,has disorder","242614","2020-10-21","18:00:00",""
"4132692","8.1073","0.0003","12.6392","0.0005","13.2065","0.0006","74.9956","0.0016","81.3175","0.0016","71.4936","0.0014","1236.03","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H29 N O7 S -","- C26 H29 N O7 S -","- C52 H58 N2 O14 S2 -","2","2","","Liu, Wei; Ali, Siraj Z.; Ammann, Stephen E.; White, M. Christina","Asymmetric Allylic C-H Alkylation via Palladium(II)/ cis-ArSOX Catalysis.","Journal of the American Chemical Society","2018","140","34","10658","10662","10.1021/jacs.8b05668","","","0.71073","MoKα","","0.0479","0.0376","","","0.0824","0.0874","","","","","","1.038","","","","has coordinates,has disorder","242615","2020-10-21","18:00:00",""
"4132693","11.5175","0.0006","12.9029","0.0007","12.3215","0.0006","90","","112.935","0.0017","90","","1686.34","0.15","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C31 H32 Cl2 F3 N O9 Pd S -","- C31 H32 Cl2 F3 N O9 Pd S -","- C62 H64 Cl4 F6 N2 O18 Pd2 S2 -","2","1","","Liu, Wei; Ali, Siraj Z.; Ammann, Stephen E.; White, M. Christina","Asymmetric Allylic C-H Alkylation via Palladium(II)/ cis-ArSOX Catalysis.","Journal of the American Chemical Society","2018","140","34","10658","10662","10.1021/jacs.8b05668","","","0.71073","MoKα","","0.0262","0.024","","","0.0498","0.0508","","","","","","1.091","","","","has coordinates","242616","2020-10-21","18:00:00",""
"4132694","7.2794","0.0002","7.976","0.0002","28.9295","0.0008","90","","90","","90","","1679.66","0.08","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Liu, Wei; Ali, Siraj Z.; Ammann, Stephen E.; White, M. Christina","Asymmetric Allylic C-H Alkylation via Palladium(II)/ cis-ArSOX Catalysis.","Journal of the American Chemical Society","2018","140","34","10658","10662","10.1021/jacs.8b05668","","","1.54178","CuKα","","0.0316","0.0293","","","0.0695","0.0709","","","","","","1.071","","","","has coordinates","242617","2020-10-21","18:00:00",""
"4132695","9.2426","0.0013","11.0042","0.0015","22.027","0.003","90","","90.723","0.009","90","","2240.1","0.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 O -","- C29 H28 O -","- C116 H112 O4 -","4","1","","Gao, Pin; Chen, Liang-An; Brown, M. Kevin","Nickel-Catalyzed Stereoselective Diarylation of Alkenylarenes.","Journal of the American Chemical Society","2018","140","34","10653","10657","10.1021/jacs.8b05680","","","0.71073","MoKα","","0.113","0.0576","","","0.1397","0.1721","","","","","","1.012","","","","has coordinates","242618","2020-10-21","18:00:00",""
"4132696","11.1132","0.0005","16.9436","0.0008","12.0212","0.0006","90","","104.743","0.002","90","","2189.04","0.18","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 O -","- C29 H28 O -","- C116 H112 O4 -","4","1","","Gao, Pin; Chen, Liang-An; Brown, M. Kevin","Nickel-Catalyzed Stereoselective Diarylation of Alkenylarenes.","Journal of the American Chemical Society","2018","140","34","10653","10657","10.1021/jacs.8b05680","","","0.71073","MoKα","","0.0736","0.0596","","","0.145","0.1549","","","","","","1.036","","","","has coordinates","242619","2020-10-21","18:00:00",""
"4132697","18.8921","0.0014","14.4381","0.0007","14.529","0.0011","90","","97.589","0.002","90","","3928.3","0.5","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 F3 -","- C24 H23 F3 -","- C192 H184 F24 -","8","1","","Gao, Pin; Chen, Liang-An; Brown, M. Kevin","Nickel-Catalyzed Stereoselective Diarylation of Alkenylarenes.","Journal of the American Chemical Society","2018","140","34","10653","10657","10.1021/jacs.8b05680","","","0.71073","MoKα","","0.1338","0.058","","","0.1237","0.1502","","","","","","1.019","","","","has coordinates,has disorder","242620","2020-10-21","18:00:00",""
"4132698","18.1594","0.0013","7.9412","0.0004","47.787","0.004","90","","90.245","0.006","90","","6891.2","0.8","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C48 H66 Cl6 Co3 F18 N18 O6 -","- C48 H64 Cl6 Co3 F18 N18 O6 -","- C192 H256 Cl24 Co12 F72 N72 O24 -","4","0.5","","Yu, Meng; Bouley, Bailey S.; Xie, Da; Enriquez, José S; Que, Emily L.","<sup>19</sup>F PARASHIFT Probes for Magnetic Resonance Detection of H<sub>2</sub>O<sub>2</sub> and Peroxidase Activity.","Journal of the American Chemical Society","2018","140","33","10546","10552","10.1021/jacs.8b05685","","","1.54184","CuKα","","0.1163","0.071","","","0.1717","0.2056","","","","","","1.123","","","","has coordinates","242621","2020-10-21","18:00:00",""
"4132699","16.7381","0.0017","13.3744","0.0013","14.2241","0.0014","90","","94.3","0.003","90","","3175.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Co F9 N8 O4 -","- C26 H38 Co F9 N8 O4 -","- C104 H152 Co4 F36 N32 O16 -","4","1","","Yu, Meng; Bouley, Bailey S.; Xie, Da; Enriquez, José S; Que, Emily L.","<sup>19</sup>F PARASHIFT Probes for Magnetic Resonance Detection of H<sub>2</sub>O<sub>2</sub> and Peroxidase Activity.","Journal of the American Chemical Society","2018","140","33","10546","10552","10.1021/jacs.8b05685","","","0.71073","MoKα","","0.063","0.0491","","","0.1109","0.1174","","","","","","1.122","","","","has coordinates","242622","2020-10-21","18:00:00",""
"4132700","7.5582","0.0002","14.1096","0.0005","9.6456","0.0003","90","","107.998","0.003","90","","978.3","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 I N O3 S -","- C19 H20 I N O3 S -","- C38 H40 I2 N2 O6 S2 -","2","1","","Li, Bin; Chao, Zengyin; Li, Chunyu; Gu, Zhenhua","Cu-Catalyzed Enantioselective Ring Opening of Cyclic Diaryliodoniums toward the Synthesis of Chiral Diarylmethanes.","Journal of the American Chemical Society","2018","140","30","9400","9403","10.1021/jacs.8b05743","","","1.54178","CuKα","","0.0393","0.039","","","0.1022","0.1028","","","","","","1.038","","","","has coordinates","242624","2020-10-21","18:00:00",""
"4132701","9.6006","0.0005","20.3822","0.001","24.3422","0.0013","90","","99.723","0.005","90","","4694.9","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 F3 I O5 S -","- C22 H24 F3 I O5 S -","- C176 H192 F24 I8 O40 S8 -","8","2","","Li, Bin; Chao, Zengyin; Li, Chunyu; Gu, Zhenhua","Cu-Catalyzed Enantioselective Ring Opening of Cyclic Diaryliodoniums toward the Synthesis of Chiral Diarylmethanes.","Journal of the American Chemical Society","2018","140","30","9400","9403","10.1021/jacs.8b05743","","x-ray","0.71073","MoKα","","0.1328","0.0893","","","0.2442","0.242","","","","","","1.007","","","","has coordinates,has disorder","242625","2020-10-21","18:00:00",""
"4132702","25.195","0.005","9.488","0.0019","19.143","0.004","90","","123.74","0.03","90","","3805.4","1.9","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H49 Na O8 Si2 -","- C40 H49 Na O8 Si2 -","- C160 H196 Na4 O32 Si8 -","4","1","","Xie, Weilong; Park, Sung-Woo; Jung, Hoimin; Kim, Dongwook; Baik, Mu-Hyun; Chang, Sukbok","Conjugate Addition of Perfluoroarenes to α,β-Unsaturated Carbonyls Enabled by an Alkoxide-Hydrosilane System: Implication of a Radical Pathway.","Journal of the American Chemical Society","2018","140","30","9659","9668","10.1021/jacs.8b05744","","","0.7","synchrotron","","0.1112","0.0862","","","0.2409","0.2798","","","","","","1.046","","","","has coordinates,has disorder","242626","2020-10-21","18:00:00",""
"4132703","10.7627","0.0006","12.6174","0.0007","9.1065","0.0004","90","","101.936","0.002","90","","1209.9","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Cl F2 O -","- C15 H9 Cl F2 O -","- C60 H36 Cl4 F8 O4 -","4","1","","Xie, Weilong; Park, Sung-Woo; Jung, Hoimin; Kim, Dongwook; Baik, Mu-Hyun; Chang, Sukbok","Conjugate Addition of Perfluoroarenes to α,β-Unsaturated Carbonyls Enabled by an Alkoxide-Hydrosilane System: Implication of a Radical Pathway.","Journal of the American Chemical Society","2018","140","30","9659","9668","10.1021/jacs.8b05744","","","0.71073","MoKα","","0.0466","0.0389","","","0.1101","0.116","","","","","","1.072","","","","has coordinates","242627","2020-10-21","18:00:00",""
"4132704","37.029","0.0006","11.0822","0.0003","12.0393","0.0002","90","","90","","90","","4940.48","0.18","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C53 H64 O12 S2 -","- C53 H64 O12 S2 -","- C212 H256 O48 S8 -","4","1","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","pseudo[1]Catenane-Type Pillar[5]thiacrown Whose Planar Chiral Inversion is Triggered by Metal Cation and Controlled by Anion.","Journal of the American Chemical Society","2018","140","30","9669","9677","10.1021/jacs.8b05751","","","0.71073","MoKα","","0.0707","0.0517","","","0.1207","0.1324","","","","","","1.018","","","","has coordinates","242628","2020-10-21","18:00:00",""
"4132705","12.5757","0.0002","18.6738","0.0002","41.8847","0.0006","90","","90","","90","","9836","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C53 H64 O12 S2 -","- C53 H64 O12 S2 -","- C424 H512 O96 S16 -","8","2","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","pseudo[1]Catenane-Type Pillar[5]thiacrown Whose Planar Chiral Inversion is Triggered by Metal Cation and Controlled by Anion.","Journal of the American Chemical Society","2018","140","30","9669","9677","10.1021/jacs.8b05751","","","0.71073","MoKα","","0.0713","0.0485","","","0.1139","0.1291","","","","","","1.05","","","","has coordinates","242628","2020-10-21","18:00:00",""
"4132706","12.5633","0.0002","18.6928","0.0003","41.9876","0.0007","90","","90","","90","","9860.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C53 H64 O12 S2 -","- C53 H64 O12 S2 -","- C424 H512 O96 S16 -","8","2","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","pseudo[1]Catenane-Type Pillar[5]thiacrown Whose Planar Chiral Inversion is Triggered by Metal Cation and Controlled by Anion.","Journal of the American Chemical Society","2018","140","30","9669","9677","10.1021/jacs.8b05751","","","0.71073","MoKα","","0.1154","0.0552","","","0.1135","0.1306","","","","","","1.002","","","","has coordinates","242628","2020-10-21","18:00:00",""
"4132707","15.9151","0.0009","9.0545","0.0005","22.8476","0.0013","90","","91.173","0.003","90","","3291.7","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H64 Cl2 Hg O20 S2 -","- C53 H64 Cl2 Hg O20 S2 -","- C106 H128 Cl4 Hg2 O40 S4 -","2","1","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","pseudo[1]Catenane-Type Pillar[5]thiacrown Whose Planar Chiral Inversion is Triggered by Metal Cation and Controlled by Anion.","Journal of the American Chemical Society","2018","140","30","9669","9677","10.1021/jacs.8b05751","","","0.71073","MoKα","","0.0585","0.0502","","","0.1305","0.1351","","","","","","1.035","","","","has coordinates,has disorder","242628","2020-10-21","18:00:00",""
"4132708","47.5683","0.0008","14.9566","0.0002","12.0028","0.0002","90","","94.586","0.001","90","","8512.2","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C159 H190 Hg4 I8 O36 S6 -","- C159 H190 Hg4 I8 O36 S6 -","- C318 H380 Hg8 I16 O72 S12 -","2","0.5","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","pseudo[1]Catenane-Type Pillar[5]thiacrown Whose Planar Chiral Inversion is Triggered by Metal Cation and Controlled by Anion.","Journal of the American Chemical Society","2018","140","30","9669","9677","10.1021/jacs.8b05751","","","0.71073","MoKα","","0.1243","0.0757","","","0.1835","0.2155","","","","","","1.049","","","","has coordinates,has disorder","242628","2020-10-21","18:00:00",""
"4132709","6.3698","0.0005","13.228","0.0012","34.571","0.002","90","","90","","90","","2912.9","0.4","120","0.1","120","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 O4 -","- C35 H44 O4 -","- C140 H176 O16 -","4","1","","Wang, Yaxin; Hu, Xiafei; Morales-Rivera, Cristian A; Li, Guo-Xing; Huang, Xin; He, Gang; Liu, Peng; Chen, Gong","Epimerization of Tertiary Carbon Centers via Reversible Radical Cleavage of Unactivated C(sp<sup>3</sup>)-H Bonds.","Journal of the American Chemical Society","2018","140","30","9678","9684","10.1021/jacs.8b05753","","x-ray","0.71073","MoKα","","0.0806","0.057","","","0.0933","0.1045","","","","","","1.034","","","","has coordinates","242629","2020-10-21","18:00:00",""
"4132710","11.1414","0.0003","12.4672","0.0004","21.0621","0.0005","90","","90","","90","","2925.57","0.14","120","0.1","120","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 O4 -","- C35 H44 O4 -","- C140 H176 O16 -","4","1","","Wang, Yaxin; Hu, Xiafei; Morales-Rivera, Cristian A; Li, Guo-Xing; Huang, Xin; He, Gang; Liu, Peng; Chen, Gong","Epimerization of Tertiary Carbon Centers via Reversible Radical Cleavage of Unactivated C(sp<sup>3</sup>)-H Bonds.","Journal of the American Chemical Society","2018","140","30","9678","9684","10.1021/jacs.8b05753","","x-ray","0.71073","MoKα","","0.0577","0.0451","","","0.0862","0.093","","","","","","1.052","","","","has coordinates","242630","2020-10-21","18:00:00",""
"4132711","7.7029","0.0004","14.6019","0.0006","21.1006","0.0009","90","","90","","90","","2373.33","0.19","120","10","120","10","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O4 -","- C28 H38 O4 -","- C112 H152 O16 -","4","1","","Wang, Yaxin; Hu, Xiafei; Morales-Rivera, Cristian A; Li, Guo-Xing; Huang, Xin; He, Gang; Liu, Peng; Chen, Gong","Epimerization of Tertiary Carbon Centers via Reversible Radical Cleavage of Unactivated C(sp<sup>3</sup>)-H Bonds.","Journal of the American Chemical Society","2018","140","30","9678","9684","10.1021/jacs.8b05753","","x-ray","0.71073","MoKα","","0.05","0.0398","","","0.0825","0.0896","","","","","","1.037","","","","has coordinates","242631","2020-10-21","18:00:00",""
"4132712","6.1268","0.0002","13.2115","0.0005","14.7663","0.0005","90","","101.86","0.004","90","","1169.73","0.07","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H35 N O3 -","- C26 H35 N O3 -","- C52 H70 N2 O6 -","2","1","","Wang, Yaxin; Hu, Xiafei; Morales-Rivera, Cristian A; Li, Guo-Xing; Huang, Xin; He, Gang; Liu, Peng; Chen, Gong","Epimerization of Tertiary Carbon Centers via Reversible Radical Cleavage of Unactivated C(sp<sup>3</sup>)-H Bonds.","Journal of the American Chemical Society","2018","140","30","9678","9684","10.1021/jacs.8b05753","","x-ray","0.71073","MoKα","","0.04","0.0355","","","0.0867","0.0908","","","","","","1.048","","","","has coordinates","242632","2020-10-21","18:00:00",""
"4132713","7.9565","0.0011","15.697","0.002","24.285","0.003","90","","90","","90","","3033","0.7","100","","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Me2fBPDC","","- C16 H6 F8 O4 -","- C16 H6 F8 O4 -","- C128 H48 F64 O32 -","8","1","","Ji, Pengfei; Drake, Tasha; Murakami, Akiko; Oliveres, Pau; Skone, Jonathan H.; Lin, Wenbin","Tuning Lewis Acidity of Metal-Organic Frameworks via Perfluorination of Bridging Ligands: Spectroscopic, Theoretical, and Catalytic Studies.","Journal of the American Chemical Society","2018","140","33","10553","10561","10.1021/jacs.8b05765","","","0.41328","synchrotron","","0.0436","0.0366","","","0.0943","0.1003","","","","","","1.049","","","","has coordinates","242633","2020-10-21","18:00:00",""
"4132714","21.4077","0.0011","21.9786","0.0011","22.0259","0.0012","115.221","0.001","116.928","0.001","90.438","0.001","8096.3","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C210 H178 Cr12 N26 O68 -","- C210 H178 Cr12 N26 O68 -","- C210 H178 Cr12 N26 O68 -","1","0.5","","Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.","Methane Storage in Paddlewheel-Based Porous Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11153","11157","10.1021/jacs.8b05780","","","0.71073","MoKα","","0.0959","0.0641","","","0.1856","0.2112","","","","","","1.057","","","","has coordinates","242635","2020-10-21","18:00:00",""
"4132715","40.52","0.002","40.52","0.002","40.52","0.002","90","","90","","90","","66529","6","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","Cu-carbazole PCN-81","- C17 H8 Cu N O4 -","- C17 H8 Cu N O4 -","- C816 H384 Cu48 N48 O192 -","48","2","","Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.","Methane Storage in Paddlewheel-Based Porous Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11153","11157","10.1021/jacs.8b05780","","","","","","","","","","","","","","","","","","","","","has coordinates","287155","2023-10-27","23:54:11",""
"4132716","40.53","0.004","40.53","0.004","40.53","0.004","90","","90","","90","","66578","11","7.06","0.05","7.06","0.05","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","Cu-carbazole/PCN-81 w/ 3.71(3) CD4","- C20.25 H8 Cu D13 N O4 -","- C20.2483 H8 Cu D12.9963 N O4 -","- C971.92 H384 Cu48 D623.824 N48 O192 -","48","2","","Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.","Methane Storage in Paddlewheel-Based Porous Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11153","11157","10.1021/jacs.8b05780","","","2.0775","neutron","","","","","","","","","","2.8022","","","","","","","has coordinates","242637","2020-10-21","18:00:00",""
"4132717","23.345","0.002","27.435","0.003","23.959","0.002","90","","99","0.003","90","","15156","2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C204 H176 Cu12 N24 O66 -","- C204 H176 Cu12 N24 O66 -","- C408 H352 Cu24 N48 O132 -","2","0.5","","Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.","Methane Storage in Paddlewheel-Based Porous Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11153","11157","10.1021/jacs.8b05780","","","0.71073","MoKα","","0.1002","0.0624","","","0.1744","0.1963","","","","","","1.021","","","","has coordinates","242638","2020-10-21","18:00:00",""
"4132718","24.1875","0.0005","28.6009","0.0007","24.5462","0.0005","90","","97.121","0.001","90","","16849.7","0.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C168 H84 Mo12 N12 O68 -","- C168 H84 Mo12 N12 O68 -","- C336 H168 Mo24 N24 O136 -","2","0.5","","Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.","Methane Storage in Paddlewheel-Based Porous Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11153","11157","10.1021/jacs.8b05780","","","1.54178","CuKα","","0.1334","0.0863","","","0.2286","0.2929","","","","","","1.038","","","","has coordinates","242639","2020-10-21","18:00:00",""
"4132719","40.519","0.002","40.519","0.002","40.519","0.002","90","","90","","90","","66524","6","7.06","0.05","7.06","0.05","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","Cu-carbazole/PCN-81 w/ 1.95(15) CD4","- C18.89 H8 Cu D7.56 N O4 -","- C18.8915 H8 Cu D7.5585 N O4 -","- C906.792 H384 Cu48 D362.808 N48 O192 -","48","2","","Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.","Methane Storage in Paddlewheel-Based Porous Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11153","11157","10.1021/jacs.8b05780","","","2.0775","neutron","","","","","","","","","","1.3026","","","","","","","has coordinates","242640","2020-10-21","18:00:00",""
"4132720","7.6488","0.0001","14.2419","0.0001","28.2187","0.0002","90","","90","","90","","3073.96","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 F O2 -","- C18 H21 F O2 -","- C144 H168 F8 O16 -","8","2","","Blümel, Marcus; Nagasawa, Shota; Blackford, Katherine; Hare, Stephanie R.; Tantillo, Dean J.; Sarpong, Richmond","Rearrangement of Hydroxylated Pinene Derivatives to Fenchone-Type Frameworks: Computational Evidence for Dynamically-Controlled Selectivity.","Journal of the American Chemical Society","2018","140","29","9291","9298","10.1021/jacs.8b05804","","","1.54184","CuKα","","0.0305","0.0296","","","0.0754","0.076","","","","","","1.076","","","","has coordinates","242641","2020-10-21","18:00:00",""
"4132721","8.3269","0.0001","7.6893","0.0001","13.8728","0.0001","90","","100.63","0.001","90","","873.005","0.017","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C46 H48 O4 -","2","1","","Blümel, Marcus; Nagasawa, Shota; Blackford, Katherine; Hare, Stephanie R.; Tantillo, Dean J.; Sarpong, Richmond","Rearrangement of Hydroxylated Pinene Derivatives to Fenchone-Type Frameworks: Computational Evidence for Dynamically-Controlled Selectivity.","Journal of the American Chemical Society","2018","140","29","9291","9298","10.1021/jacs.8b05804","","x-ray","1.54184","CuKα","","0.0347","0.0344","","","0.0895","0.0897","","","","","","1.081","","","","has coordinates","242642","2020-10-21","18:00:00",""
"4132722","8.10217","0.00006","12.10152","0.0001","17.38923","0.00014","90","","90","","90","","1704.99","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 F N O5 -","- C17 H22 F N O5 -","- C68 H88 F4 N4 O20 -","4","1","","Testa, Andrea; Lucas, Xavier; Castro, Guilherme V.; Chan, Kwok-Ho; Wright, Jane E.; Runcie, Andrew C.; Gadd, Morgan S.; Harrison, William T. A.; Ko, Eun-Jung; Fletcher, Daniel; Ciulli, Alessio","3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.","Journal of the American Chemical Society","2018","140","29","9299","9313","10.1021/jacs.8b05807","","","1.54184","CuKα","","0.023","0.0227","","","0.0568","0.057","","","","","","1.04","","","","has coordinates","242643","2020-10-21","18:00:00",""
"4132723","9.9574","0.0007","8.8817","0.0007","10.7882","0.0009","90","","90.883","0.007","90","","953.98","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H22 F N O3 -","- C25 H22 F N O3 -","- C50 H44 F2 N2 O6 -","2","1","","Testa, Andrea; Lucas, Xavier; Castro, Guilherme V.; Chan, Kwok-Ho; Wright, Jane E.; Runcie, Andrew C.; Gadd, Morgan S.; Harrison, William T. A.; Ko, Eun-Jung; Fletcher, Daniel; Ciulli, Alessio","3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.","Journal of the American Chemical Society","2018","140","29","9299","9313","10.1021/jacs.8b05807","","","0.71073","MoKα","","0.0351","0.0331","","","0.0848","0.0859","","","","","","1.045","","","","has coordinates","242644","2020-10-21","18:00:00",""
"4132724","6.05736","0.00004","8.48378","0.00006","34.6061","0.0003","90","","90","","90","","1778.38","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 F N O6 -","- C17 H24 F N O6 -","- C68 H96 F4 N4 O24 -","4","1","","Testa, Andrea; Lucas, Xavier; Castro, Guilherme V.; Chan, Kwok-Ho; Wright, Jane E.; Runcie, Andrew C.; Gadd, Morgan S.; Harrison, William T. A.; Ko, Eun-Jung; Fletcher, Daniel; Ciulli, Alessio","3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.","Journal of the American Chemical Society","2018","140","29","9299","9313","10.1021/jacs.8b05807","","","1.54184","CuKα","","0.0221","0.022","","","0.0535","0.0535","","","","","","1.067","","","","has coordinates","242645","2020-10-21","18:00:00",""
"4132725","8.61245","0.00005","10.21862","0.00006","18.99958","0.00012","90","","90","","90","","1672.1","0.017","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 F N O5 -","- C17 H22 F N O5 -","- C68 H88 F4 N4 O20 -","4","1","","Testa, Andrea; Lucas, Xavier; Castro, Guilherme V.; Chan, Kwok-Ho; Wright, Jane E.; Runcie, Andrew C.; Gadd, Morgan S.; Harrison, William T. A.; Ko, Eun-Jung; Fletcher, Daniel; Ciulli, Alessio","3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.","Journal of the American Chemical Society","2018","140","29","9299","9313","10.1021/jacs.8b05807","","","1.54184","CuKα","","0.0237","0.0237","","","0.0573","0.0573","","","","","","1.059","","","","has coordinates","242646","2020-10-21","18:00:00",""
"4132726","8.2353","0.0003","13.2333","0.0005","15.1468","0.0005","90","","90","","90","","1650.7","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Carmona, José A; Hornillos, Valentín; Ramírez-López, Pedro; Ros, Abel; Iglesias-Sigüenza, Javier; Gómez-Bengoa, Enrique; Fernández, Rosario; Lassaletta, José M","Dynamic Kinetic Asymmetric Heck Reaction for the Simultaneous Generation of Central and Axial Chirality.","Journal of the American Chemical Society","2018","140","35","11067","11075","10.1021/jacs.8b05819","","","1.54178","CuKα","","0.0294","0.0291","","","0.0977","0.0983","","","","","","0.945","","","","has coordinates","242647","2020-10-21","18:00:00",""
"4132727","9.3299","0.0004","11.8388","0.0005","20.3171","0.0009","90","","90","","90","","2244.12","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C112 H104 N8 O8 -","- C112 H104 N8 O8 -","- C112 H104 N8 O8 -","1","0.25","","Carmona, José A; Hornillos, Valentín; Ramírez-López, Pedro; Ros, Abel; Iglesias-Sigüenza, Javier; Gómez-Bengoa, Enrique; Fernández, Rosario; Lassaletta, José M","Dynamic Kinetic Asymmetric Heck Reaction for the Simultaneous Generation of Central and Axial Chirality.","Journal of the American Chemical Society","2018","140","35","11067","11075","10.1021/jacs.8b05819","","","1.54178","CuKα","","0.0353","0.0351","","","0.1082","0.1086","","","","","","0.867","","","","has coordinates","242648","2020-10-21","18:00:00",""
"4132728","11.48","0.0007","12.905","0.0008","28.8426","0.0017","90","","90","","90","","4273","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 Cl N O0.5 -","- C26 H23 Cl N O0.5 -","- C208 H184 Cl8 N8 O4 -","8","2","","Carmona, José A; Hornillos, Valentín; Ramírez-López, Pedro; Ros, Abel; Iglesias-Sigüenza, Javier; Gómez-Bengoa, Enrique; Fernández, Rosario; Lassaletta, José M","Dynamic Kinetic Asymmetric Heck Reaction for the Simultaneous Generation of Central and Axial Chirality.","Journal of the American Chemical Society","2018","140","35","11067","11075","10.1021/jacs.8b05819","","","1.54175","CuKα","","0.0393","0.039","","","0.1223","0.1229","","","","","","1.117","","","","has coordinates","242649","2020-10-21","18:00:00",""
"4132729","12.7654","0.0011","15.5021","0.0014","15.5871","0.0012","69.715","0.003","81.105","0.003","80.949","0.003","2840.5","0.4","273","2","273","2","","","","","","","","8","P 1","P 1","1","","","","- C65 H49 F0 N O0.5 P2 Pd S0 -","- C65 H49 N O0.5 P2 Pd -","- C130 H98 N2 O P4 Pd2 -","2","2","","Carmona, José A; Hornillos, Valentín; Ramírez-López, Pedro; Ros, Abel; Iglesias-Sigüenza, Javier; Gómez-Bengoa, Enrique; Fernández, Rosario; Lassaletta, José M","Dynamic Kinetic Asymmetric Heck Reaction for the Simultaneous Generation of Central and Axial Chirality.","Journal of the American Chemical Society","2018","140","35","11067","11075","10.1021/jacs.8b05819","","","0.56086","AgKα","","0.0499","0.0396","","","0.1069","0.1149","","","","","","0.811","","","","has coordinates","242650","2020-10-21","18:00:00",""
"4132730","8.773","0.003","11.504","0.003","16.681","0.005","93.575","0.01","98.963","0.009","103.528","0.01","1608.2","0.8","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H46 Mo O2 P2 -","- C37 H46 Mo O2 P2 -","- C74 H92 Mo2 O4 P4 -","2","1","","Buss, Joshua A.; VanderVelde, David G.; Agapie, Theodor","Lewis Acid Enhancement of Proton Induced CO<sub>2</sub> Cleavage: Bond Weakening and Ligand Residence Time Effects.","Journal of the American Chemical Society","2018","140","32","10121","10125","10.1021/jacs.8b05874","","","0.71073","MoKα","","0.1364","0.0719","","","0.1592","0.1853","","","","","","1.044","","","","has coordinates,has disorder","242651","2020-10-21","18:00:00",""
"4132731","23.5019","0.0011","9.3504","0.0005","20.5286","0.0009","90","","90","","90","","4511.2","0.4","100","","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C48 H40 B F15 Mo N2 P2 -","- C48 H40 B F15 Mo N2 P2 -","- C192 H160 B4 F60 Mo4 N8 P8 -","4","1","","Buss, Joshua A.; VanderVelde, David G.; Agapie, Theodor","Lewis Acid Enhancement of Proton Induced CO<sub>2</sub> Cleavage: Bond Weakening and Ligand Residence Time Effects.","Journal of the American Chemical Society","2018","140","32","10121","10125","10.1021/jacs.8b05874","","","0.71073","MoKα","","0.057","0.0371","","","0.0668","0.0726","","","","","","1.008","","","","has coordinates,has disorder","242651","2020-10-21","18:00:00",""
"4132732","9.4051","0.0004","11.3058","0.0005","22.0674","0.001","103.065","0.002","94.669","0.002","96.976","0.002","2254.39","0.17","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H40 B F15 Mo O2 P2 -","- C49 H40 B F15 Mo O2 P2 -","- C98 H80 B2 F30 Mo2 O4 P4 -","2","1","","Buss, Joshua A.; VanderVelde, David G.; Agapie, Theodor","Lewis Acid Enhancement of Proton Induced CO<sub>2</sub> Cleavage: Bond Weakening and Ligand Residence Time Effects.","Journal of the American Chemical Society","2018","140","32","10121","10125","10.1021/jacs.8b05874","","","0.71073","MoKα","","0.0334","0.0268","","","0.0647","0.0678","","","","","","0.988","","","","has coordinates","242651","2020-10-21","18:00:00",""
"4132733","13.0216","0.0007","16.2787","0.0008","18.3832","0.0009","111.964","0.002","100.228","0.003","92.383","0.003","3531.5","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C75 H64 B F24 Mo O P2 -","- C75 H64 B F24 Mo O P2 -","- C150 H128 B2 F48 Mo2 O2 P4 -","2","1","","Buss, Joshua A.; VanderVelde, David G.; Agapie, Theodor","Lewis Acid Enhancement of Proton Induced CO<sub>2</sub> Cleavage: Bond Weakening and Ligand Residence Time Effects.","Journal of the American Chemical Society","2018","140","32","10121","10125","10.1021/jacs.8b05874","","","0.71073","MoKα","","0.0473","0.043","","","0.0977","0.0996","","","","","","1.242","","","","has coordinates,has disorder","242651","2020-10-21","18:00:00",""
"4132734","13.0558","0.0008","16.4548","0.001","16.505","0.001","65.959","0.002","81.517","0.002","78.563","0.002","3165.1","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C130 H109 B2 Cl F48 Mo2 N2 P4 -","- C130 H109 B2 Cl F48 Mo2 N2 P4 -","- C130 H109 B2 Cl F48 Mo2 N2 P4 -","1","0.5","","Buss, Joshua A.; VanderVelde, David G.; Agapie, Theodor","Lewis Acid Enhancement of Proton Induced CO<sub>2</sub> Cleavage: Bond Weakening and Ligand Residence Time Effects.","Journal of the American Chemical Society","2018","140","32","10121","10125","10.1021/jacs.8b05874","","","0.71073","MoKα","","0.0924","0.0557","","","0.1344","0.154","","","","","","1.03","","","","has coordinates,has disorder","242651","2020-10-21","18:00:00",""
"4132735","9.9036","0.0002","9.5634","0.0002","15.2192","0.0004","90","","93.961","0.002","90","","1438","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Lee, Hanbin; Mane, Manoj V.; Ryu, Ho; Sahu, Debashis; Baik, Mu-Hyun; Yi, Chae S.","Experimental and Computational Study of the ( Z)-Selective Formation of Trisubstituted Olefins and Benzo-Fused Oxacycles from the Ruthenium-Catalyzed Dehydrative C-H Coupling of Phenols with Ketones.","Journal of the American Chemical Society","2018","140","32","10289","10296","10.1021/jacs.8b05875","","x-ray","0.71073","MoKα","","0.0628","0.0444","","","0.1001","0.1117","","","","","","1.034","","","","has coordinates","242652","2020-10-21","18:00:00",""
"4132736","5.53828","0.00006","24.4737","0.0004","8.98955","0.00014","90","","91.211","0.0012","90","","1218.19","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","2","","Lee, Hanbin; Mane, Manoj V.; Ryu, Ho; Sahu, Debashis; Baik, Mu-Hyun; Yi, Chae S.","Experimental and Computational Study of the ( Z)-Selective Formation of Trisubstituted Olefins and Benzo-Fused Oxacycles from the Ruthenium-Catalyzed Dehydrative C-H Coupling of Phenols with Ketones.","Journal of the American Chemical Society","2018","140","32","10289","10296","10.1021/jacs.8b05875","","x-ray","1.54184","CuKα","","0.0399","0.0372","","","0.0971","0.101","","","","","","1.034","","","","has coordinates","242653","2020-10-21","18:00:00",""
"4132737","18.5044","0.0008","18.5044","0.0008","18.5044","0.0008","90","","90","","90","","6336.1","0.5","173","2","173","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C17 H36 Cl9 N Si3 -","- C16.9998 H35.9991 Cl9 N Si3 -","- C135.998 H287.993 Cl72 N8 Si24 -","8","0.333333","","Georg, Isabelle; Teichmann, Julian; Bursch, Markus; Tillmann, Jan; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","Exhaustively Trichlorosilylated C<sub>1</sub> and C<sub>2</sub> Building Blocks: Beyond the Müller-Rochow Direct Process.","Journal of the American Chemical Society","2018","140","30","9696","9708","10.1021/jacs.8b05950","","","0.71073","MoKα","","0.0517","0.0399","","","0.0844","0.0884","","","","","","0.975","","","","has coordinates","265218","2021-05-14","09:41:20",""
"4132738","11.4327","0.0006","11.8063","0.0006","19.5139","0.0009","85.921","0.004","85.777","0.004","88.686","0.004","2619.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H72 Cl12 N2 Si4 -","- C34 H72 Cl12 N2 Si4 -","- C68 H144 Cl24 N4 Si8 -","2","1","","Georg, Isabelle; Teichmann, Julian; Bursch, Markus; Tillmann, Jan; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","Exhaustively Trichlorosilylated C<sub>1</sub> and C<sub>2</sub> Building Blocks: Beyond the Müller-Rochow Direct Process.","Journal of the American Chemical Society","2018","140","30","9696","9708","10.1021/jacs.8b05950","","","0.71073","MoKα","","0.073","0.0585","","","0.1414","0.1476","","","","","","1.117","","","","has coordinates,has disorder","265218","2021-05-14","09:41:20",""
"4132739","16.5007","0.0011","12.171","0.0007","18.2951","0.0012","90","","90","","90","","3674.2","0.4","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C2 Cl12 Si4 -","- C2 Cl12 Si4 -","- C16 Cl96 Si32 -","8","1","","Georg, Isabelle; Teichmann, Julian; Bursch, Markus; Tillmann, Jan; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","Exhaustively Trichlorosilylated C<sub>1</sub> and C<sub>2</sub> Building Blocks: Beyond the Müller-Rochow Direct Process.","Journal of the American Chemical Society","2018","140","30","9696","9708","10.1021/jacs.8b05950","","","0.71073","MoKα","","0.043","0.0353","","","0.0889","0.093","","","","","","1.017","","","","has coordinates","242654","2020-10-21","18:00:00",""
"4132740","9.1268","0.0008","9.5234","0.0009","10.1718","0.0009","77.516","0.007","87.755","0.007","62.147","0.007","761.25","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 Cl6 Si2 -","- C8 H8 Cl6 Si2 -","- C16 H16 Cl12 Si4 -","2","1","","Georg, Isabelle; Teichmann, Julian; Bursch, Markus; Tillmann, Jan; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","Exhaustively Trichlorosilylated C<sub>1</sub> and C<sub>2</sub> Building Blocks: Beyond the Müller-Rochow Direct Process.","Journal of the American Chemical Society","2018","140","30","9696","9708","10.1021/jacs.8b05950","","","0.71073","MoKα","","0.0374","0.0276","","","0.0651","0.0681","","","","","","1.032","","","","has coordinates","242654","2020-10-21","18:00:00",""
"4132741","11.5499","0.0006","12.4908","0.0007","12.5898","0.0007","65.826","0.004","79.473","0.004","65.638","0.004","1509.27","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 Cl6 Si2 -","- C30 H20 Cl6 Si2 -","- C60 H40 Cl12 Si4 -","2","1","","Georg, Isabelle; Teichmann, Julian; Bursch, Markus; Tillmann, Jan; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","Exhaustively Trichlorosilylated C<sub>1</sub> and C<sub>2</sub> Building Blocks: Beyond the Müller-Rochow Direct Process.","Journal of the American Chemical Society","2018","140","30","9696","9708","10.1021/jacs.8b05950","","","0.71073","MoKα","","0.0486","0.035","","","0.0806","0.0852","","","","","","1.018","","","","has coordinates","242654","2020-10-21","18:00:00",""
"4132742","12.871","0.0006","27.8262","0.0013","13.7151","0.0006","90","","108.04","0.002","90","","4670.6","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H45 F12 N4 O6 P3 Ru S -","- C43 H45 F12 N4 O6 P3 Ru S -","- C172 H180 F48 N16 O24 P12 Ru4 S4 -","4","1","","Kosgei, Gilbert K.; Breen, Douglas J.; Lamb, Robert W.; Livshits, Maksim Y.; Crandall, Laura A.; Ziegler, Christopher J.; Webster, Charles Edwin; Rack, Jeffrey J.","Controlling Photoisomerization Reactivity Through Single Functional Group Substitutions in Ruthenium Phosphine Sulfoxide Complexes.","Journal of the American Chemical Society","2018","140","31","9819","9822","10.1021/jacs.8b05957","","","0.71073","MoKα","","0.0897","0.0766","","","0.1938","0.1989","","","","","","1.192","","","","has coordinates,has disorder","242655","2020-10-21","18:00:00",""
"4132743","26.5441","0.0018","26.5441","0.0018","22.7499","0.0017","90","","90","","90","","16029.3","1.9","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C62 H68 I O5 P -","- C62 H68 I O5 P -","- C496 H544 I8 O40 P8 -","8","1","","Ye, Baihua; Zhao, Jie; Zhao, Ke; McKenna, Jeffrey M.; Toste, F. Dean","Chiral Diaryliodonium Phosphate Enables Light Driven Diastereoselective α-C(sp<sup>3</sup>)-H Acetalization.","Journal of the American Chemical Society","2018","140","26","8350","8356","10.1021/jacs.8b05962","","x-ray","0.71073","MoKα","","0.1048","0.0935","","","0.2621","0.277","","","","","","1.127","","","","has coordinates","242656","2020-10-21","18:00:00",""
"4132744","7.63","0.001","11.4442","0.0015","12.1777","0.0016","66.08","0.002","82.174","0.003","78.089","0.003","949.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H13 Fe2 N O6 S2 -","- C16 H13 Fe2 N O6 S2 -","- C32 H26 Fe4 N2 O12 S4 -","2","1","","Ahmed, Md Estak; Dey, Subal; Darensbourg, Marcetta Y.; Dey, Abhishek","Oxygen-Tolerant H<sub>2</sub> Production by [FeFe]-H<sub>2</sub>ase Active Site Mimics Aided by Second Sphere Proton Shuttle.","Journal of the American Chemical Society","2018","140","39","12457","12468","10.1021/jacs.8b05983","","","0.71073","MoKα","","0.0325","0.0269","","","0.0652","0.0679","","","","","","1.065","","","","has coordinates","242657","2020-10-21","18:00:00",""
"4132745","12.0292","0.0008","11.9367","0.0007","16.3521","0.001","90","","111.147","0.002","90","","2189.9","0.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Fe2 N O8 S2 -","- C18 H15 Fe2 N O8 S2 -","- C72 H60 Fe8 N4 O32 S8 -","4","1","","Ahmed, Md Estak; Dey, Subal; Darensbourg, Marcetta Y.; Dey, Abhishek","Oxygen-Tolerant H<sub>2</sub> Production by [FeFe]-H<sub>2</sub>ase Active Site Mimics Aided by Second Sphere Proton Shuttle.","Journal of the American Chemical Society","2018","140","39","12457","12468","10.1021/jacs.8b05983","","","0.71073","MoKα","","0.0753","0.0507","","","0.1138","0.1308","","","","","","0.986","","","","has coordinates","242658","2020-10-21","18:00:00",""
"4132746","7.5764","0.0016","10.35","0.002","12.755","0.003","93.763","0.005","104.601","0.005","107.684","0.005","911.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H11 Fe2 N O6 S2 -","- C15 H11 Fe2 N O6 S2 -","- C30 H22 Fe4 N2 O12 S4 -","2","1","","Ahmed, Md Estak; Dey, Subal; Darensbourg, Marcetta Y.; Dey, Abhishek","Oxygen-Tolerant H<sub>2</sub> Production by [FeFe]-H<sub>2</sub>ase Active Site Mimics Aided by Second Sphere Proton Shuttle.","Journal of the American Chemical Society","2018","140","39","12457","12468","10.1021/jacs.8b05983","","","0.71073","MoKα","","0.0515","0.0331","","","0.0877","0.0975","","","","","","0.998","","","","has coordinates","242659","2020-10-21","18:00:00",""
"4132747","39.341","0.003","39.341","0.003","16.4692","0.0016","90","","90","","120","","22075","3","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C108 H52 F24 O32 Zr6 -","- C108 H52 F24 O32 Zr6 -","- C324 H156 F72 O96 Zr18 -","3","0.125","","Liu, Jian; Ye, Jingyun; Li, Zhanyong; Otake, Ken-Ichi; Liao, Yijun; Peters, Aaron W.; Noh, Hyunho; Truhlar, Donald G.; Gagliardi, Laura; Cramer, Christopher J.; Farha, Omar K.; Hupp, Joseph T.","Beyond the Active Site: Tuning the Activity and Selectivity of a Metal-Organic Framework-Supported Ni Catalyst for Ethylene Dimerization.","Journal of the American Chemical Society","2018","140","36","11174","11178","10.1021/jacs.8b06006","","","0.71073","MoKα","","0.1141","0.0689","","","0.2018","0.225","","","","","","0.946","","","","has coordinates","242660","2020-10-21","18:00:00",""
"4132748","8.8222","0.0002","22.4497","0.0005","12.2995","0.0003","90","","90.664","0.002","90","","2435.82","0.1","100.01","0.13","100.01","0.13","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 I N O3 -","- C25 H30 I N O3 -","- C100 H120 I4 N4 O12 -","4","2","","Li, Shou-Lei; Yang, Chen; Wu, Quan; Zheng, Han-Liang; Li, Xin; Cheng, Jin-Pei","Atroposelective Catalytic Asymmetric Allylic Alkylation Reaction for Axially Chiral Anilides with Achiral Morita-Baylis-Hillman Carbonates.","Journal of the American Chemical Society","2018","140","40","12836","12843","10.1021/jacs.8b06014","","x-ray","1.54184","CuKα","","0.0501","0.049","","","0.1203","0.1209","","","","","","1.128","","","","has coordinates","242661","2020-10-21","18:00:00",""
"4132749","9.2512","0.0019","9.908","0.002","13.364","0.003","90","","93.83","0.03","90","","1222.2","0.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H32 Br N3 O3 -","- C26 H32 Br N3 O3 -","- C52 H64 Br2 N6 O6 -","2","1","","Li, Shou-Lei; Yang, Chen; Wu, Quan; Zheng, Han-Liang; Li, Xin; Cheng, Jin-Pei","Atroposelective Catalytic Asymmetric Allylic Alkylation Reaction for Axially Chiral Anilides with Achiral Morita-Baylis-Hillman Carbonates.","Journal of the American Chemical Society","2018","140","40","12836","12843","10.1021/jacs.8b06014","","","0.71073","MoKα","","0.0489","0.0284","","","0.0551","0.0582","","","","","","0.959","","","","has coordinates","242662","2020-10-21","18:00:00",""
"4132750","9.0037","0.0006","10.6349","0.0008","20.9238","0.0016","87.427","0.003","80.838","0.004","83.926","0.003","1966.1","0.2","25","2","25","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F12 Fe N10 P2 -","- C30 H48 F12 Fe N10 P2 -","- C60 H96 F24 Fe2 N20 P4 -","2","1","","Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Hauser, Andreas; Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Real, José Antonio; Pillet, Sébastien; Bendeif, El-Eulmi; Besnard, Céline","Very Long-Lived Photogenerated High-Spin Phase of a Multistable Spin-Crossover Molecular Material.","Journal of the American Chemical Society","2018","140","40","12870","12876","10.1021/jacs.8b06042","","","0.71073","MoKα","","0.1129","0.0623","","","0.1025","0.1234","","","","","","1.109","","","","has coordinates","242663","2020-10-21","18:00:00",""
"4132751","9.1236","0.0013","10.3986","0.0017","21.917","0.003","82.664","0.006","79.143","0.008","81.735","0.007","2010","0.5","25","2","25","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F12 Fe N10 P2 -","- C30 H48 F12 Fe N10 P2 -","- C60 H96 F24 Fe2 N20 P4 -","2","1","","Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Hauser, Andreas; Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Real, José Antonio; Pillet, Sébastien; Bendeif, El-Eulmi; Besnard, Céline","Very Long-Lived Photogenerated High-Spin Phase of a Multistable Spin-Crossover Molecular Material.","Journal of the American Chemical Society","2018","140","40","12870","12876","10.1021/jacs.8b06042","","","0.71073","MoKα","","0.1816","0.0851","","","0.157","0.1965","","","","","","1.084","","","","has coordinates","242663","2020-10-21","18:00:00",""
"4132752","9.2022","0.0007","10.1887","0.0007","21.8917","0.0018","91.39","0.006","101.321","0.007","98.577","0.006","1987.1","0.3","90","2","90","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F12 Fe N10 P2 -","- C30 H48 F12 Fe N10 P2 -","- C60 H96 F24 Fe2 N20 P4 -","2","1","","Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Hauser, Andreas; Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Real, José Antonio; Pillet, Sébastien; Bendeif, El-Eulmi; Besnard, Céline","Very Long-Lived Photogenerated High-Spin Phase of a Multistable Spin-Crossover Molecular Material.","Journal of the American Chemical Society","2018","140","40","12870","12876","10.1021/jacs.8b06042","","x-ray","0.7121","","","0.0651","0.0368","","","0.0862","0.0991","","","","","","1.002","","","","has coordinates,has disorder","242663","2020-10-21","18:00:00",""
"4132753","9.2011","0.0007","10.1991","0.0009","21.9496","0.0008","91.624","0.005","101.414","0.005","98.816","0.007","1991.6","0.2","10","2","10","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F12 Fe N10 P2 -","- C30 H48 F12 Fe N10 P2 -","- C60 H96 F24 Fe2 N20 P4 -","2","1","","Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Hauser, Andreas; Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Real, José Antonio; Pillet, Sébastien; Bendeif, El-Eulmi; Besnard, Céline","Very Long-Lived Photogenerated High-Spin Phase of a Multistable Spin-Crossover Molecular Material.","Journal of the American Chemical Society","2018","140","40","12870","12876","10.1021/jacs.8b06042","","","0.71073","MoKα","","0.0697","0.054","","","0.1171","0.1304","","","","","","0.985","","","","has coordinates,has disorder","242663","2020-10-21","18:00:00",""
"4132754","9.2642","0.0004","10.2705","0.0005","22.0624","0.0011","91.906","0.004","101.684","0.004","98.679","0.004","2027.74","0.17","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F12 Fe N10 P2 -","- C30 H48 F12 Fe N10 P2 -","- C60 H96 F24 Fe2 N20 P4 -","2","1","","Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Hauser, Andreas; Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Real, José Antonio; Pillet, Sébastien; Bendeif, El-Eulmi; Besnard, Céline","Very Long-Lived Photogenerated High-Spin Phase of a Multistable Spin-Crossover Molecular Material.","Journal of the American Chemical Society","2018","140","40","12870","12876","10.1021/jacs.8b06042","","","0.71069","MoKα","","0.0785","0.0546","","","0.1329","0.1516","","","","","","1.037","","","","has coordinates,has disorder","242663","2020-10-21","18:00:00",""
"4132755","9.2763","0.0006","10.2063","0.0005","22.0345","0.0013","91.425","0.005","101.334","0.005","98.996","0.005","2017","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F12 Fe N10 P2 -","- C30 H48 F12 Fe N10 P2 -","- C60 H96 F24 Fe2 N20 P4 -","2","1","","Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Hauser, Andreas; Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Real, José Antonio; Pillet, Sébastien; Bendeif, El-Eulmi; Besnard, Céline","Very Long-Lived Photogenerated High-Spin Phase of a Multistable Spin-Crossover Molecular Material.","Journal of the American Chemical Society","2018","140","40","12870","12876","10.1021/jacs.8b06042","","","0.71073","MoKα","","0.2072","0.0949","","","0.2099","0.2651","","","","","","1.04","","","","has coordinates,has disorder","242663","2020-10-21","18:00:00",""
"4132756","24.6998","0.006","8.2115","0.0023","7.0889","0.0017","90","","90.237","0.041","90","","1437.8","0.6","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Co(bdp)(CO2)0.37","","","- C12.74 H8 Co N4 O1.48 -","- C12.74 H8 Co N4 O1.48 -","- C50.96 H32 Co4 N16 O5.92 -","4","0.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Bachman, Jonathan E.; Siegelman, Rebecca L.; Jiang, Henry; Mason, Jarad A.; Tarver, Jacob D.; Long, Jeffrey R.","Near-Perfect CO<sub>2</sub>/CH<sub>4</sub> Selectivity Achieved through Reversible Guest Templating in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2018","140","32","10324","10331","10.1021/jacs.8b06062","powder diffraction","x-ray","0.45336","synchrotron","","","","","","","","","0.021","4.01","","","","","","","has coordinates","242664","2020-10-21","18:00:00",""
"4132757","21.3574","0.0004","13.0173","0.0002","23.82","0.0005","90","","93.95","0.007","90","","6606.6","0.2","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C74 H96 N8 -","- C74 H96 N8 -","- C296 H384 N32 -","4","1","","Oki, Kosuke; Takase, Masayoshi; Mori, Shigeki; Shiotari, Akitoshi; Sugimoto, Yoshiaki; Ohara, Keishi; Okujima, Tetsuo; Uno, Hidemitsu","Synthesis, Structures, and Properties of Core-Expanded Azacoronene Analogue: A Twisted π-System with Two N-Doped Heptagons.","Journal of the American Chemical Society","2018","140","33","10430","10434","10.1021/jacs.8b06079","","","1.54187","CuKα","","0.114","0.081","","","0.2102","0.2302","","","","","","1.015","","","","has coordinates,has disorder","242665","2020-10-21","18:00:00",""
"4132758","15.6996","0.0014","18.0988","0.0015","22.34","0.002","94.624","0.007","93.167","0.007","97.221","0.007","6263.2","1","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C74 H80 N8 -","- C74 H80 N8 -","- C296 H320 N32 -","4","2","","Oki, Kosuke; Takase, Masayoshi; Mori, Shigeki; Shiotari, Akitoshi; Sugimoto, Yoshiaki; Ohara, Keishi; Okujima, Tetsuo; Uno, Hidemitsu","Synthesis, Structures, and Properties of Core-Expanded Azacoronene Analogue: A Twisted π-System with Two N-Doped Heptagons.","Journal of the American Chemical Society","2018","140","33","10430","10434","10.1021/jacs.8b06079","","","1.54187","CuKα","","0.1407","0.0765","","","0.1758","0.2115","","","","","","0.932","","","","has coordinates,has disorder","242666","2020-10-21","18:00:00",""
"4132759","18.9374","0.0003","19.0517","0.0004","20.3855","0.0004","90","","106.369","0.008","90","","7056.8","0.4","100","","100","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C78 H88.34 F12 N8 O2.17 P2 -","- C78 H88.344 F12 N8 O2.172 P2 -","- C312 H353.376 F48 N32 O8.688 P8 -","4","2","","Oki, Kosuke; Takase, Masayoshi; Mori, Shigeki; Shiotari, Akitoshi; Sugimoto, Yoshiaki; Ohara, Keishi; Okujima, Tetsuo; Uno, Hidemitsu","Synthesis, Structures, and Properties of Core-Expanded Azacoronene Analogue: A Twisted π-System with Two N-Doped Heptagons.","Journal of the American Chemical Society","2018","140","33","10430","10434","10.1021/jacs.8b06079","","","1.54187","CuKα","","0.0454","0.0399","","","0.0968","0.0993","","","","","","1.077","","","","has coordinates,has disorder","242667","2020-10-21","18:00:00",""
"4132760","12.4461","0.0004","15.3301","0.0005","11.6893","0.0003","90","","90","","90","","2230.32","0.12","100","","100","1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C44 H62 I N2 P2 U -","- C44 H62 I N2 P2 U -","- C88 H124 I2 N4 P4 U2 -","2","0.5","","Mullane, Kimberly C.; Ryu, Ho; Cheisson, Thibault; Grant, Lauren N.; Park, Ji Young; Manor, Brian C.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.; Schelter, Eric J.","C-H Bond Addition across a Transient Uranium-Nitrido Moiety and Formation of a Parent Uranium Imido Complex.","Journal of the American Chemical Society","2018","140","36","11335","11340","10.1021/jacs.8b06090","","","0.71073","MoKα","","0.045","0.0299","","","0.0656","0.0707","","","","","","1.005","","","","has coordinates","242668","2020-10-21","18:00:00",""
"4132761","24.5125","0.0008","13.2349","0.0004","14.3958","0.0004","90","","115.555","0.002","90","","4213.4","0.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H62 Cl2 N2 P2 U -","- C44 H62 Cl2 N2 P2 U -","- C176 H248 Cl8 N8 P8 U4 -","4","0.5","","Mullane, Kimberly C.; Ryu, Ho; Cheisson, Thibault; Grant, Lauren N.; Park, Ji Young; Manor, Brian C.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.; Schelter, Eric J.","C-H Bond Addition across a Transient Uranium-Nitrido Moiety and Formation of a Parent Uranium Imido Complex.","Journal of the American Chemical Society","2018","140","36","11335","11340","10.1021/jacs.8b06090","","","0.71073","MoKα","","0.02","0.0182","","","0.0456","0.0467","","","","","","1.085","","","","has coordinates","242668","2020-10-21","18:00:00",""
"4132762","10.9802","0.0005","11.5895","0.0005","21.4568","0.0009","87.954","0.002","87.283","0.002","65.953","0.002","2490.31","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H62 N8 P2 U -","- C44 H62 N8 P2 U -","- C88 H124 N16 P4 U2 -","2","1","","Mullane, Kimberly C.; Ryu, Ho; Cheisson, Thibault; Grant, Lauren N.; Park, Ji Young; Manor, Brian C.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.; Schelter, Eric J.","C-H Bond Addition across a Transient Uranium-Nitrido Moiety and Formation of a Parent Uranium Imido Complex.","Journal of the American Chemical Society","2018","140","36","11335","11340","10.1021/jacs.8b06090","","","0.71073","MoKα","","0.0337","0.0307","","","0.085","0.087","","","","","","1.109","","","","has coordinates,has disorder","242668","2020-10-21","18:00:00",""
"4132763","12.7487","0.0005","13.6035","0.0006","17.6124","0.0007","102.07","0.002","91.734","0.002","98.501","0.002","2948.2","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H93 K N3 O3 P2 U -","- C59 H93 K N3 O3 P2 U -","- C118 H186 K2 N6 O6 P4 U2 -","2","1","","Mullane, Kimberly C.; Ryu, Ho; Cheisson, Thibault; Grant, Lauren N.; Park, Ji Young; Manor, Brian C.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.; Schelter, Eric J.","C-H Bond Addition across a Transient Uranium-Nitrido Moiety and Formation of a Parent Uranium Imido Complex.","Journal of the American Chemical Society","2018","140","36","11335","11340","10.1021/jacs.8b06090","","","0.71073","MoKα","","0.0297","0.0263","","","0.0658","0.0683","","","","","","1.091","","","","has coordinates","242668","2020-10-21","18:00:00",""
"4132764","9.4486","0.0003","14.759","0.0003","22.6127","0.0009","88.9","0.002","89.95","0.003","86.561","0.002","3147.12","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H47 B3 F2 K N3 O6 -","- C25 H47 B3 F2 K N3 O6 -","- C100 H188 B12 F8 K4 N12 O24 -","4","2","","Geri, Jacob B.; Wade Wolfe, Michael M.; Szymczak, Nathaniel K.","The Difluoromethyl Group as a Masked Nucleophile: A Lewis Acid/Base Approach.","Journal of the American Chemical Society","2018","140","30","9404","9408","10.1021/jacs.8b06093","","x-ray","1.54184","CuKα","","0.1165","0.1049","","","0.2898","0.3063","","","","","","1.041","","","","has coordinates,has disorder","242669","2020-10-21","18:00:00",""
"4132765","11.6737","0.0002","8.25353","0.0001","30.0031","0.0004","90","","93.5614","0.0014","90","","2885.19","0.07","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H35 F6 Fe N8 O7 S2 -","- C17 H35 F6 Fe N8 O7 S2 -","- C68 H140 F24 Fe4 N32 O28 S8 -","4","1","","Speelman, Amy L.; White, Corey J.; Zhang, Bo; Alp, E. Ercan; Zhao, Jiyong; Hu, Michael; Krebs, Carsten; Penner-Hahn, James; Lehnert, Nicolai","Non-heme High-Spin {FeNO}<sup>6-8</sup> Complexes: One Ligand Platform Can Do It All.","Journal of the American Chemical Society","2018","140","36","11341","11359","10.1021/jacs.8b06095","","","1.54184","CuKα","","0.0426","0.0401","","","0.105","0.1129","","","","","","1.071","","","","has coordinates","242670","2020-10-21","18:00:00",""
"4132766","9.1975","0.0005","10.2549","0.0006","10.7336","0.0006","86.647","0.002","87.81","0.002","65.188","0.002","917.26","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H15 Co F3 N3 O3 S -","- C17 H15 Co F3 N3 O3 S -","- C34 H30 Co2 F6 N6 O6 S2 -","2","1","","McLoughlin, Elizabeth A.; Waldie, Kate M.; Ramakrishnan, Srinivasan; Waymouth, Robert M.","Protonation of a Cobalt Phenylazopyridine Complex at the Ligand Yields a Proton, Hydride, and Hydrogen Atom Transfer Reagent.","Journal of the American Chemical Society","2018","140","41","13233","13241","10.1021/jacs.8b06156","","x-ray","0.71073","MoKα","","0.0375","0.0303","","","0.0659","0.069","","","","","","1.108","","","","has coordinates","242671","2020-10-21","18:00:00",""
"4132767","18.4626","0.0007","19.0335","0.0008","19.1173","0.0008","90","","100.614","0.002","90","","6603","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62.5 H44 Cl5.5 D1.5 N7 O7 -","- C62.5 H41.5 Cl5.5 N7 O7 -","- C250 H166 Cl22 N28 O28 -","4","1","","Zhiquan, Lei; Xie, Han; Border, Sarah E.; Gallucci, Judith; Pavlović, Radoslav Z; Badjić, Jovica D","A Stimuli-Responsive Molecular Capsule with Switchable Dynamics, Chirality, and Encapsulation Characteristics.","Journal of the American Chemical Society","2018","140","35","11091","11100","10.1021/jacs.8b06190","","x-ray","0.71073","MoKα","","0.1111","0.1029","","","0.2881","0.2958","","","","","","1.095","","","","has coordinates","242672","2020-10-21","18:00:00",""
"4132768","17.222","0.0006","9.8655","0.0004","20.9582","0.0008","90","","90","","90","","3560.9","0.2","183","2","183","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H20 Br2 O3 -","- C20 H20 Br2 O3 -","- C160 H160 Br16 O24 -","8","2","","Schmid, Matthias; Grossmann, Adriana S.; Wurst, Klaus; Magauer, Thomas","Total Synthesis of Salimabromide: A Tetracyclic Polyketide from a Marine Myxobacterium.","Journal of the American Chemical Society","2018","140","27","8444","8447","10.1021/jacs.8b06228","","","0.71073","MoKα","","0.0376","0.0324","","","0.0784","0.0813","","","","","","1.051","","","","has coordinates","242673","2020-10-21","18:00:00",""
"4132769","9.9024","0.0004","17.7073","0.0008","8.9301","0.0003","90","","100.908","0.001","90","","1537.56","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 O -","- C20 H24 O -","- C80 H96 O4 -","4","1","","Schmid, Matthias; Grossmann, Adriana S.; Wurst, Klaus; Magauer, Thomas","Total Synthesis of Salimabromide: A Tetracyclic Polyketide from a Marine Myxobacterium.","Journal of the American Chemical Society","2018","140","27","8444","8447","10.1021/jacs.8b06228","","","0.71073","MoKα","","0.0547","0.0449","","","0.1109","0.1174","","","","","","1.028","","","","has coordinates","242673","2020-10-21","18:00:00",""
"4132770","27.498","0.006","7.6508","0.0018","15.583","0.004","90","","90.715","0.006","90","","3278.1","1.3","183","2","183","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C160 H176 O24 -","8","4","","Schmid, Matthias; Grossmann, Adriana S.; Wurst, Klaus; Magauer, Thomas","Total Synthesis of Salimabromide: A Tetracyclic Polyketide from a Marine Myxobacterium.","Journal of the American Chemical Society","2018","140","27","8444","8447","10.1021/jacs.8b06228","","","0.71073","MoKα","","0.1484","0.1179","","","0.3162","0.3419","","","","","","1.314","","","","has coordinates","242673","2020-10-21","18:00:00",""
"4132771","10.2423","0.0009","11.5267","0.0011","14.1776","0.0014","88.506","0.003","80.899","0.003","76.244","0.003","1605.2","0.3","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","2","","Schmid, Matthias; Grossmann, Adriana S.; Wurst, Klaus; Magauer, Thomas","Total Synthesis of Salimabromide: A Tetracyclic Polyketide from a Marine Myxobacterium.","Journal of the American Chemical Society","2018","140","27","8444","8447","10.1021/jacs.8b06228","","","0.71073","MoKα","","0.0498","0.0395","","","0.0993","0.1054","","","","","","1.031","","","","has coordinates","242673","2020-10-21","18:00:00",""
"4132772","10.7291","0.0007","10.9423","0.0007","21.1536","0.0014","90.135","0.001","104.209","0.001","93.207","0.001","2403.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Cl2)Si{P(cAAC)}2","dichlorosilabisphosphinidene","","- C47 H70 Cl2 N2 P2 Si -","- C47 H70 Cl2 N2 P2 Si -","- C94 H140 Cl4 N4 P4 Si2 -","2","1","","Kundu, Subrata; Sinhababu, Soumen; Siddiqui, Mujahuddin M.; Luebben, Anna V.; Dittrich, Birger; Yang, Tao; Frenking, Gernot; Roesky, Herbert W.","Comparison of Two Phosphinidenes Binding to Silicon(IV)dichloride as well as to Silylene.","Journal of the American Chemical Society","2018","140","30","9409","9412","10.1021/jacs.8b06230","","","0.71073","MoKα","","0.0333","0.0298","","","0.0754","0.0781","","","","","","1.032","","","","has coordinates","242674","2020-10-21","18:00:00",""
"4132773","13.3897","0.0006","16.8613","0.0007","28.705","0.0012","97.348","0.002","101.539","0.002","105.097","0.002","6018.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(cAAC)Si{P(cAAC)}2","bisphosphinidenesilylene","","- C126 H200 N6 P4 Si2 -","- C126 H200 N6 P4 Si2 -","- C252 H400 N12 P8 Si4 -","2","1","","Kundu, Subrata; Sinhababu, Soumen; Siddiqui, Mujahuddin M.; Luebben, Anna V.; Dittrich, Birger; Yang, Tao; Frenking, Gernot; Roesky, Herbert W.","Comparison of Two Phosphinidenes Binding to Silicon(IV)dichloride as well as to Silylene.","Journal of the American Chemical Society","2018","140","30","9409","9412","10.1021/jacs.8b06230","","","0.71073","MoKα","","0.0684","0.0463","","","0.1075","0.1195","","","","","","1.026","","","","has coordinates,has disorder","242675","2020-10-21","18:00:00",""
"4132774","16.3099","0.0005","15.3787","0.0004","14.4277","0.0004","90","","93.304","0.003","90","","3612.81","0.18","110","2","110","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H34 Mo2 N6 O10 -","- C32 H34 Mo2 N6 O10 -","- C128 H136 Mo8 N24 O40 -","4","1","","Claire, F. James; Tenney, Stephanie M.; Li, Minyuan M.; Siegler, Maxime A.; Wagner, Justine S.; Hall, Anthony Shoji; Kempa, Thomas J.","Hierarchically Ordered Two-Dimensional Coordination Polymers Assembled from Redox-Active Dimolybdenum Clusters.","Journal of the American Chemical Society","2018","140","34","10673","10676","10.1021/jacs.8b06331","","","0.71073","MoKα","","0.0652","0.0403","","","0.0854","0.0961","","","","","","1.033","","","","has coordinates,has disorder","242676","2020-10-21","18:00:00",""
"4132775","16.38752","0.00019","15.60553","0.00019","14.32079","0.00016","90","","91.8","0.001","90","","3660.53","0.07","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H77 Mo4 N13 O21 -","- C68 H77 Mo4 N13 O21 -","- C136 H154 Mo8 N26 O42 -","2","0.5","","Claire, F. James; Tenney, Stephanie M.; Li, Minyuan M.; Siegler, Maxime A.; Wagner, Justine S.; Hall, Anthony Shoji; Kempa, Thomas J.","Hierarchically Ordered Two-Dimensional Coordination Polymers Assembled from Redox-Active Dimolybdenum Clusters.","Journal of the American Chemical Society","2018","140","34","10673","10676","10.1021/jacs.8b06331","","","1.54178","CuKα","","0.0475","0.0281","","","0.0558","0.0633","","","","","","1.013","","","","has coordinates,has disorder","242677","2020-10-21","18:00:00",""
"4132776","8.1652","0.0004","19.9237","0.0008","11.5584","0.0005","90","","108.914","0.001","90","","1778.81","0.14","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N3 Pd -","- C18 H25 N3 Pd -","- C72 H100 N12 Pd4 -","4","1","","Rudenko, Andrey E.; Clayman, Naomi E.; Walker, Katherine L.; Maclaren, Jana K.; Zimmerman, Paul M.; Waymouth, Robert M.","Ligand-Induced Reductive Elimination of Ethane from Azopyridine Palladium Dimethyl Complexes.","Journal of the American Chemical Society","2018","140","36","11408","11415","10.1021/jacs.8b06398","","x-ray","0.71073","MoKα","","0.0421","0.0262","","","0.0518","0.0559","","","","","","1.029","","","","has coordinates","242678","2020-10-21","18:00:00",""
"4132777","9.9146","0.0006","18.0926","0.0012","10.9702","0.0008","90","","105.158","0.002","90","","1899.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N4 Pd -","- C21 H24 N4 Pd -","- C84 H96 N16 Pd4 -","4","1","","Rudenko, Andrey E.; Clayman, Naomi E.; Walker, Katherine L.; Maclaren, Jana K.; Zimmerman, Paul M.; Waymouth, Robert M.","Ligand-Induced Reductive Elimination of Ethane from Azopyridine Palladium Dimethyl Complexes.","Journal of the American Chemical Society","2018","140","36","11408","11415","10.1021/jacs.8b06398","","","0.71073","MoKα","","0.0422","0.0321","","","0.0796","0.0837","","","","","","1.075","","","","has coordinates","242679","2020-10-21","18:00:00",""
"4132778","10.2729","0.0008","17.4768","0.0012","7.5492","0.0007","90","","102.902","0.003","90","","1321.15","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N3 Pd -","- C14 H17 N3 Pd -","- C56 H68 N12 Pd4 -","4","1","","Rudenko, Andrey E.; Clayman, Naomi E.; Walker, Katherine L.; Maclaren, Jana K.; Zimmerman, Paul M.; Waymouth, Robert M.","Ligand-Induced Reductive Elimination of Ethane from Azopyridine Palladium Dimethyl Complexes.","Journal of the American Chemical Society","2018","140","36","11408","11415","10.1021/jacs.8b06398","","x-ray","0.71073","MoKα","","0.1566","0.0742","","","0.115","0.1412","","","","","","1.023","","","","has coordinates","242680","2020-10-21","18:00:00",""
"4132779","8.1493","0.0005","10.1574","0.0007","10.6196","0.0008","113.946","0.002","91.188","0.002","96.721","0.002","795.61","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 F3 N3 Pd -","- C15 H16 F3 N3 Pd -","- C30 H32 F6 N6 Pd2 -","2","1","","Rudenko, Andrey E.; Clayman, Naomi E.; Walker, Katherine L.; Maclaren, Jana K.; Zimmerman, Paul M.; Waymouth, Robert M.","Ligand-Induced Reductive Elimination of Ethane from Azopyridine Palladium Dimethyl Complexes.","Journal of the American Chemical Society","2018","140","36","11408","11415","10.1021/jacs.8b06398","","x-ray","0.71073","MoKα","","0.0327","0.0254","","","0.0618","0.0652","","","","","","1.071","","","","has coordinates,has disorder","242681","2020-10-21","18:00:00",""
"4132780","12.2741","0.0005","19.4126","0.0008","15.5112","0.0006","90","","108.397","0.002","90","","3507","0.2","100","2","100.01","","","","","","","","","8","P 1 21 1","P 2yb","4","","Plate","","- C77 H62 F3 Fe3 Mn N12 O8 S -","- C77 H62 F3 Fe3 Mn N12 O8 S -","- C154 H124 F6 Fe6 Mn2 N24 O16 S2 -","2","1","","Reed, Christopher J.; Agapie, Theodor","Thermodynamics of Proton and Electron Transfer in Tetranuclear Clusters with Mn-OH<sub>2</sub>/OH Motifs Relevant to H<sub>2</sub>O Activation by the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","34","10900","10908","10.1021/jacs.8b06426","","","0.71073","MoKα","","0.0294","0.0256","","","0.0605","0.0617","","","","","","1.023","","","","has coordinates,has disorder","242682","2020-10-21","18:00:00",""
"4132781","14.2908","0.0012","15.9691","0.0013","24.3709","0.0017","71.236","0.004","75.366","0.002","70.262","0.004","4891.6","0.7","100","2","99.99","","","","","","","","","10","P -1","-P 1","2","","","","- C105.06 H80.97 B Cl0.46 F3 Fe3 Mn N12 O10.47 S -","- C105.061 H80.972 B Cl0.456 F3 Fe3 Mn N12 O10.469 S -","- C210.122 H161.944 B2 Cl0.912 F6 Fe6 Mn2 N24 O20.938 S2 -","2","1","","Reed, Christopher J.; Agapie, Theodor","Thermodynamics of Proton and Electron Transfer in Tetranuclear Clusters with Mn-OH<sub>2</sub>/OH Motifs Relevant to H<sub>2</sub>O Activation by the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","34","10900","10908","10.1021/jacs.8b06426","","","0.71073","MoKα","","0.0892","0.0635","","","0.1716","0.1897","","","","","","1.031","","","","has coordinates,has disorder","242682","2020-10-21","18:00:00",""
"4132782","44.125","0.002","14.3106","0.0007","24.8034","0.001","90","","90.402","0.003","90","","15661.9","1.2","100","2","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C76 H53.5 F9 Fe3 Mn N13.38 O14.12 S3 -","- C76 H53.5 F9 Fe3 Mn N13.379 O14.121 S3 -","- C608 H428 F72 Fe24 Mn8 N107.032 O112.968 S24 -","8","1","","Reed, Christopher J.; Agapie, Theodor","Thermodynamics of Proton and Electron Transfer in Tetranuclear Clusters with Mn-OH<sub>2</sub>/OH Motifs Relevant to H<sub>2</sub>O Activation by the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","34","10900","10908","10.1021/jacs.8b06426","","","1.54178","CuKα","","0.1219","0.084","","","0.2131","0.2471","","","","","","1.038","","","","has coordinates,has disorder","242682","2020-10-21","18:00:00",""
"4132783","12.2685","0.0006","29.896","0.002","19.6152","0.0017","90","","92.393","0.005","90","","7188.2","0.9","100","2","100.02","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C72 H62 F6 Fe3 Mn N12 O13 S2 -","- C72 H62 F6 Fe3 Mn N12 O13 S2 -","- C288 H248 F24 Fe12 Mn4 N48 O52 S8 -","4","1","","Reed, Christopher J.; Agapie, Theodor","Thermodynamics of Proton and Electron Transfer in Tetranuclear Clusters with Mn-OH<sub>2</sub>/OH Motifs Relevant to H<sub>2</sub>O Activation by the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","34","10900","10908","10.1021/jacs.8b06426","","","1.54178","CuKα","","0.1424","0.1109","","","0.206","0.223","","","","","","1.14","","","","has coordinates","242682","2020-10-21","18:00:00",""
"4132784","14.7283","0.0007","19.3808","0.001","45.518","0.002","90","","92.474","0.003","90","","12980.8","1.1","100","2","100.04","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C67 H49 F3 Fe3 Mn N12 O8 S -","- C67 H49 F3 Fe3 Mn N12 O8 S -","- C536 H392 F24 Fe24 Mn8 N96 O64 S8 -","8","1","","Reed, Christopher J.; Agapie, Theodor","Thermodynamics of Proton and Electron Transfer in Tetranuclear Clusters with Mn-OH<sub>2</sub>/OH Motifs Relevant to H<sub>2</sub>O Activation by the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","34","10900","10908","10.1021/jacs.8b06426","","","1.54178","CuKα","","0.1492","0.1305","","","0.2771","0.2862","","","","","","1.16","","","","has coordinates,has disorder","242682","2020-10-21","18:00:00",""
"4132785","8.048","0.0006","5.946","0.0004","34.639","0.003","90","","95.953","0.003","90","","1648.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 Br O3 -","- C20 H15 Br O3 -","- C80 H60 Br4 O12 -","4","2","","Cao, Yi-Ming; Lentz, Dieter; Christmann, Mathias","Synthesis of Enantioenriched Bromohydrins via Divergent Reactions of Racemic Intermediates from Anchimeric Oxygen Borrowing.","Journal of the American Chemical Society","2018","140","34","10677","10681","10.1021/jacs.8b06432","","","1.54178","CuKα","","0.029","0.028","","","0.0718","0.0724","","","","","","1.075","","","","has coordinates","242683","2020-10-21","18:00:00",""
"4132786","6.7003","0.0001","14.5512","0.0003","20.4826","0.0004","90","","90","","90","","1997","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C92 H120 O16 -","4","1","","Wang, Yu; Ju, Wei; Tian, Hailong; Tian, Weisheng; Gui, Jinghan","Scalable Synthesis of Cyclocitrinol.","Journal of the American Chemical Society","2018","140","30","9413","9416","10.1021/jacs.8b06444","","","1.54178","CuKα","","0.0382","0.0374","","","0.1049","0.1059","","","","","","1.051","","","","has coordinates","242684","2020-10-21","18:00:00",""
"4132787","26.483","0.003","21.984","0.002","20.235","0.002","90","","106.187","0.004","90","","11314","2","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C52 H83 Co F3 N6 O9 S -","- C52 H83 Co F3 N6 O9 S -","- C416 H664 Co8 F24 N48 O72 S8 -","8","2","","Shevick, Sophia L.; Obradors, Carla; Shenvi, Ryan A.","Mechanistic Interrogation of Co/Ni-Dual Catalyzed Hydroarylation.","Journal of the American Chemical Society","2018","140","38","12056","12068","10.1021/jacs.8b06458","","x-ray","0.71073","MoKα","","0.065","0.0413","","","0.0746","0.0826","","","","","","1.01","","","","has coordinates,has disorder","242685","2020-10-21","18:00:00",""
"4132788","15.4448","0.0011","19.9037","0.0013","26.3807","0.0018","86.411","0.005","82.181","0.006","79.782","0.006","7900.7","1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H22 Br2 N4 O8 -","- C53.946 H21.978 Br1.998 N3.996 O7.992 -","- C215.784 H87.912 Br7.992 N15.984 O31.968 -","4","2","","Ball, Melissa L.; Zhang, Boyuan; Xu, Qizhi; Paley, Daniel W.; Ritter, Virginia Cary; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin","Influence of Molecular Conformation on Electron Transport in Giant, Conjugated Macrocycles.","Journal of the American Chemical Society","2018","140","32","10135","10139","10.1021/jacs.8b06565","","x-ray","1.54184","CuKα","","0.2113","0.1673","","","0.4804","0.5119","","","","","","1.846","","","","has coordinates,has disorder","242686","2020-10-21","18:00:00",""
"4132789","9.16344","0.00015","15.7018","0.0003","17.4999","0.0003","90","","95.5026","0.0016","90","","2506.33","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 F12 N2 O3 W -","- C21 H22 F12 N2 O3 W -","- C84 H88 F48 N8 O12 W4 -","4","1","","Chan, Ka Wing; Lam, Erwin; D'Anna, Vincenza; Allouche, Florian; Michel, Carine; Safonova, Olga V.; Sautet, Philippe; Copéret, Christophe","C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex.","Journal of the American Chemical Society","2018","140","36","11395","11401","10.1021/jacs.8b06603","","","0.71073","MoKα","","0.0409","0.03","","","0.0554","0.0589","","","","","","1.05","","","","has coordinates,has disorder","242687","2020-10-21","18:00:00",""
"4132790","14.6224","0.0001","15.5338","0.0001","24.4917","0.0003","90","","92.123","0.001","90","","5559.26","0.09","100","4","100","4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","WO(OR)2(py)3","","- C23 H21 F12 N3 O3 W -","- C23 H21 F12 N3 O3 W -","- C184 H168 F96 N24 O24 W8 -","8","2","","Chan, Ka Wing; Lam, Erwin; D'Anna, Vincenza; Allouche, Florian; Michel, Carine; Safonova, Olga V.; Sautet, Philippe; Copéret, Christophe","C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex.","Journal of the American Chemical Society","2018","140","36","11395","11401","10.1021/jacs.8b06603","","","0.71073","MoKα","","0.0458","0.0335","","","0.0677","0.0725","","","","","","1.004","","","","has coordinates","242688","2020-10-21","18:00:00",""
"4132791","9.45008","0.00018","14.9417","0.0004","14.5852","0.0003","90","","99.0652","0.0019","90","","2033.71","0.08","111.92","0.15","111.92","0.15","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H59 Cl2 N O9 Si2 W -","- C29 H59 Cl2 N O9 Si2 W -","- C58 H118 Cl4 N2 O18 Si4 W2 -","2","1","","Chan, Ka Wing; Lam, Erwin; D'Anna, Vincenza; Allouche, Florian; Michel, Carine; Safonova, Olga V.; Sautet, Philippe; Copéret, Christophe","C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex.","Journal of the American Chemical Society","2018","140","36","11395","11401","10.1021/jacs.8b06603","","","0.71073","MoKα","","0.0569","0.0534","","","0.1201","0.1226","","","","","","1.045","","","","has coordinates,has disorder","242689","2020-10-21","18:00:00",""
"4132792","19.9297","0.001","28.037","0.0014","16.571","0.0009","90","","90","","90","","9259.4","0.8","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C39 H69 N3 O9 Si2 W -","- C39 H69 N3 O9 Si2 W -","- C312 H552 N24 O72 Si16 W8 -","8","1","","Chan, Ka Wing; Lam, Erwin; D'Anna, Vincenza; Allouche, Florian; Michel, Carine; Safonova, Olga V.; Sautet, Philippe; Copéret, Christophe","C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex.","Journal of the American Chemical Society","2018","140","36","11395","11401","10.1021/jacs.8b06603","","","0.71073","MoKα","","0.0945","0.038","","","0.0668","0.0831","","","","","","1.058","","","","has coordinates","242691","2020-10-21","18:00:00",""
"4132793","9.9222","0.0006","15.4195","0.001","15.579","0.001","90","","93.791","0.001","90","","2378.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","WO(OtBuF6)2(pyr)2(ethylene)","","- C20 H20 F12 N2 O3 W -","- C20 H20 F12 N2 O3 W -","- C80 H80 F48 N8 O12 W4 -","4","1","","Chan, Ka Wing; Lam, Erwin; D'Anna, Vincenza; Allouche, Florian; Michel, Carine; Safonova, Olga V.; Sautet, Philippe; Copéret, Christophe","C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex.","Journal of the American Chemical Society","2018","140","36","11395","11401","10.1021/jacs.8b06603","","x-ray","0.71073","MoKα","","0.0286","0.0217","","","0.044","0.0462","","","","","","1.029","","","","has coordinates","242693","2020-10-21","18:00:00",""
"4132794","9.8228","0.0006","9.9086","0.0006","14.9056","0.0008","89.146","0.002","75.888","0.002","78.116","0.002","1375.87","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","WO(OtBuF9)2(pyr)3","","- C23 H15 F18 N3 O3 W -","- C23 H15 F18 N3 O3 W -","- C46 H30 F36 N6 O6 W2 -","2","1","","Chan, Ka Wing; Lam, Erwin; D'Anna, Vincenza; Allouche, Florian; Michel, Carine; Safonova, Olga V.; Sautet, Philippe; Copéret, Christophe","C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex.","Journal of the American Chemical Society","2018","140","36","11395","11401","10.1021/jacs.8b06603","","x-ray","0.71073","MoKα","","0.0263","0.0205","","","0.0385","0.04","","","","","","1.068","","","","has coordinates,has disorder","242694","2020-10-21","18:00:00",""
"4132795","18.6672","0.0003","6.4223","0.0001","16.6077","0.0002","90","","90.374","0.001","90","","1990.99","0.05","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H29 N O2 -","- C24 H29 N O2 -","- C96 H116 N4 O8 -","4","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","1.54184","CuKα","","0.0317","0.0313","","","0.0829","0.0837","","","","","","1.038","","","","has coordinates","242695","2020-10-21","18:00:00",""
"4132796","9.2547","0.0001","14.4223","0.0003","16.4644","0.0002","90","","90","","90","","2197.57","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 B N O2 -","- C25 H32 B N O2 -","- C100 H128 B4 N4 O8 -","4","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","1.54184","CuKα","","0.0345","0.0343","","","0.0866","0.0868","","","","","","1.019","","","","has coordinates","242696","2020-10-21","18:00:00",""
"4132797","32.768","0.007","32.768","0.007","7.461","0.0017","90","","90","","120","","6938","3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C342 H378 N18 O36 -","18","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","0.71073","MoKα","","0.078","0.0617","","","0.1649","0.1765","","","","","","1.067","","","","has coordinates","242697","2020-10-21","18:00:00",""
"4132798","6.69","0.002","14.091","0.004","31.349","0.011","90","","90","","90","","2955.2","1.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O -","- C19 H21 N O -","- C152 H168 N8 O8 -","8","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","0.71073","MoKα","","0.0707","0.0458","","","0.1122","0.1275","","","","","","1.021","","","","has coordinates","242698","2020-10-21","18:00:00",""
"4132799","7.9251","0.0001","28.218","0.0004","7.5682","0.0001","90","","95.489","0.001","90","","1684.72","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O -","- C22 H23 N O -","- C88 H92 N4 O4 -","4","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","1.54184","CuKα","","0.0475","0.0461","","","0.1228","0.1244","","","","","","1.055","","","","has coordinates","242699","2020-10-21","18:00:00",""
"4132800","18.2222","0.0016","17.2648","0.0015","16.207","0.0014","90","","90","","90","","5098.8","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H38 B N O2 -","- C28 H38 B N O2 -","- C224 H304 B8 N8 O16 -","8","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","0.71073","MoKα","","0.0552","0.0476","","","0.1158","0.1204","","","","","","1.047","","","","has coordinates","242701","2020-10-21","18:00:00",""
"4132801","15.0877","0.0018","11.8705","0.0011","19.9549","0.0018","90","","99.75","0.004","90","","3522.3","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N2 -","- C22 H24 N2 -","- C176 H192 N16 -","8","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","0.71073","MoKα","","0.0482","0.0406","","","0.0979","0.1018","","","","","","1.063","","","","has coordinates","242702","2020-10-21","18:00:00",""
"4132802","10.66779","0.00016","13.865","0.0002","13.5618","0.0002","90","","94.8127","0.0015","90","","1998.84","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H17 Br O2 -","- C27 H17 Br O2 -","- C108 H68 Br4 O8 -","4","2","","Wen, Wei; Chen, Lei; Luo, Ming-Jing; Zhang, Yan; Chen, Ying-Chun; Ouyang, Qin; Guo, Qi-Xiang","Chiral Aldehyde Catalysis for the Catalytic Asymmetric Activation of Glycine Esters.","Journal of the American Chemical Society","2018","140","30","9774","9780","10.1021/jacs.8b06676","","x-ray","1.54184","CuKα","","0.0675","0.0666","","","0.1735","0.1755","","","","","","1.019","","","","has coordinates","242703","2020-10-21","18:00:00",""
"4132803","9.609","0.0004","8.9512","0.0004","12.4737","0.0005","90","","101.073","0.001","90","","1052.92","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H32 N2 O3 -","- C24 H32 N2 O3 -","- C48 H64 N4 O6 -","2","1","","Shang, Ming; Chan, Jessica Z.; Cao, Min; Chang, Yejin; Wang, Qifan; Cook, Brennan; Torker, Sebastian; Wasa, Masayuki","C-H Functionalization of Amines via Alkene-Derived Nucleophiles through Cooperative Action of Chiral and Achiral Lewis Acid Catalysts: Applications in Enantioselective Synthesis.","Journal of the American Chemical Society","2018","140","33","10593","10601","10.1021/jacs.8b06699","","","1.54178","CuKα","","0.0265","0.0265","","","0.0684","0.0684","","","","","","1.062","","","","has coordinates","242704","2020-10-21","18:00:00",""
"4132804","7.8167","0.0003","15.1723","0.0005","20.1325","0.0007","90","","90","","90","","2387.66","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 N2 O4 -","- C25 H36 N2 O4 -","- C100 H144 N8 O16 -","4","1","","Shang, Ming; Chan, Jessica Z.; Cao, Min; Chang, Yejin; Wang, Qifan; Cook, Brennan; Torker, Sebastian; Wasa, Masayuki","C-H Functionalization of Amines via Alkene-Derived Nucleophiles through Cooperative Action of Chiral and Achiral Lewis Acid Catalysts: Applications in Enantioselective Synthesis.","Journal of the American Chemical Society","2018","140","33","10593","10601","10.1021/jacs.8b06699","","","1.54178","CuKα","","0.0574","0.0461","","","0.1154","0.1232","","","","","","1.026","","","","has coordinates","242705","2020-10-21","18:00:00",""
"4132805","15.6389","0.0003","15.6389","","13.9429","0.0004","90","","90","","90","","3410.09","0.12","100","2","100","2","","","","","","","","5","I -4 m 2","I -4 -2","119","","","","- C12.5 H10.5 N5.5 O5.5 Zn -","- C11 H7 N5 O5 Zn -","- C88 H56 N40 O40 Zn8 -","8","0.5","","Xu, Li-Li; Zhang, Hai-Feng; Li, Mian; Ng, Seik Weng; Feng, Jiang-He; Mao, Jiang-Gao; Li, Dan","Chiroptical Activity from an Achiral Biological Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","37","11569","11572","10.1021/jacs.8b06725","","","1.54184","CuKα","","0.0536","0.0535","","","0.1449","0.1449","","","","","","1.059","","","","has coordinates,has disorder","242706","2020-10-21","18:00:00",""
"4132806","15.0337","0.0001","15.0402","0.0001","25.0437","0.0002","90","","90","","90","","5662.63","0.07","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C11 H9 N6 O5.5 Zn -","- C11 H9 N6 O5.5 Zn -","- C176 H144 N96 O88 Zn16 -","16","2","","Xu, Li-Li; Zhang, Hai-Feng; Li, Mian; Ng, Seik Weng; Feng, Jiang-He; Mao, Jiang-Gao; Li, Dan","Chiroptical Activity from an Achiral Biological Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","37","11569","11572","10.1021/jacs.8b06725","","","1.54184","CuKα","","0.0665","0.0659","","","0.1743","0.1754","","","","","","1.066","","","","has coordinates","242707","2020-10-21","18:00:00",""
"4132807","15.6362","0.0001","15.6362","","13.9515","0.0001","90","","90","","90","","3411.01","0.03","100","2","100","2","","","","","","","","5","I -4 m 2","I -4 -2","119","","","","- C12.5 H10.5 N5.5 O5.5 Zn -","- C11 H7 N5 O5 Zn -","- C88 H56 N40 O40 Zn8 -","8","0.5","","Xu, Li-Li; Zhang, Hai-Feng; Li, Mian; Ng, Seik Weng; Feng, Jiang-He; Mao, Jiang-Gao; Li, Dan","Chiroptical Activity from an Achiral Biological Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","37","11569","11572","10.1021/jacs.8b06725","","","1.54184","CuKα","","0.0279","0.0279","","","0.0792","0.0792","","","","","","1.026","","","","has coordinates,has disorder","242708","2020-10-21","18:00:00",""
"4132808","16.644","0.002","16.644","0.002","13.854","0.002","90","","90","","90","","3837.9","0.9","293","2","100","2","","","","","","","","6","P 4","P 4","75","","","","- C58 H32 N6 O9 V Zn2 -","- C58 H32 N6 O9 V Zn2 -","- C58 H32 N6 O9 V Zn2 -","1","0.25","","Yamabayashi, Tsutomu; Atzori, Matteo; Tesi, Lorenzo; Cosquer, Goulven; Santanni, Fabio; Boulon, Marie-Emmanuelle; Morra, Elena; Benci, Stefano; Torre, Renato; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta; Yamashita, Masahiro","Scaling Up Electronic Spin Qubits into a Three-Dimensional Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","38","12090","12101","10.1021/jacs.8b06733","","","0.8","Synchrotron","","0.0984","0.0879","","","0.2547","0.2703","","","","","","1.07","","","","has coordinates","242709","2020-10-21","18:00:00",""
"4132809","13.3796","0.0002","13.3796","0.0002","9.7766","0.0003","90","","90","","90","","1750.15","0.07","293","2","293","2","","","","","","","","5","I 4","I 4","79","Titanyl Tetraphenylporphyrin","","","- C44 H28 N4 O Ti -","- C44 H28 N4 O Ti -","- C88 H56 N8 O2 Ti2 -","2","0.25","","Yamabayashi, Tsutomu; Atzori, Matteo; Tesi, Lorenzo; Cosquer, Goulven; Santanni, Fabio; Boulon, Marie-Emmanuelle; Morra, Elena; Benci, Stefano; Torre, Renato; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta; Yamashita, Masahiro","Scaling Up Electronic Spin Qubits into a Three-Dimensional Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","38","12090","12101","10.1021/jacs.8b06733","","","1.54184","CuKα","","0.0579","0.0503","","","0.1325","0.1399","","","","","","1.037","","","","has coordinates,has disorder","242710","2020-10-21","18:00:00",""
"4132810","12.8801","0.0001","14.6375","0.0001","11.2233","0.0001","90","","93.525","0.001","90","","2111.95","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N4 O -","- C23 H30 N4 O -","- C92 H120 N16 O4 -","4","1","","Siu, Juno C.; Sauer, Gregory S.; Saha, Ambarneil; Macey, Reed L.; Fu, Niankai; Chauviré, Timothée; Lancaster, Kyle M.; Lin, Song","Electrochemical Azidooxygenation of Alkenes Mediated by a TEMPO-N<sub>3</sub> Charge-Transfer Complex.","Journal of the American Chemical Society","2018","140","39","12511","12520","10.1021/jacs.8b06744","","x-ray","1.54184","CuKα","","0.04","0.0388","","","0.1041","0.105","","","","","","1.043","","","","has coordinates","242711","2020-10-21","18:00:00",""
"4132811","34.835","0.007","43.607","0.009","15.766","0.003","90","","90","","90","","23949","8","100","2","100","2","","","","","","","","5","F m m 2","F 2 -2","42","","","","- C44 H96 Cl4 O164 Zr36 -","- C44 H74 Cl4 O180 Zr36 -","- C176 H296 Cl16 O720 Zr144 -","4","0.25","","Choi, Jong In; Chun, Hyungphil; Lah, Myoung Soo","Zirconium-Formate Macrocycles and Supercage: Molecular Packing versus MOF-like Network for Water Vapor Sorption.","Journal of the American Chemical Society","2018","140","34","10915","10920","10.1021/jacs.8b06757","","","0.65","synchrotron","","0.0597","0.0477","","","0.1264","0.133","","","","","","0.979","","","","has coordinates","242712","2020-10-21","18:00:00",""
"4132812","37.539","0.004","37.539","0.004","37.539","0.004","90","","90","","90","","52899","10","100","2","100","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C48 H96 Cl3 K3 O168 Zr36 -","- C48 H72 Cl3 K3 O178.2 Zr36 -","- C384 H576 Cl24 K24 O1425.6 Zr288 -","8","0.166667","","Choi, Jong In; Chun, Hyungphil; Lah, Myoung Soo","Zirconium-Formate Macrocycles and Supercage: Molecular Packing versus MOF-like Network for Water Vapor Sorption.","Journal of the American Chemical Society","2018","140","34","10915","10920","10.1021/jacs.8b06757","","","0.7","synchrotron","","0.0725","0.0645","","","0.1925","0.2021","","","","","","1.05","","","","has coordinates","242713","2020-10-21","18:00:00",""
"4132813","12.5727","0.0015","13.0829","0.0016","13.4393","0.0017","94.145","0.004","96.365","0.004","107.952","0.004","2076.7","0.4","100","","99.91","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H29 B F17 P -","- C47 H29 B F17 P -","- C94 H58 B2 F34 P2 -","2","1","","Mandal, Dipendu; Gupta, Richa; Young, Rowan D.","Selective Monodefluorination and Wittig Functionalization of gem-Difluoromethyl Groups to Generate Monofluoroalkenes.","Journal of the American Chemical Society","2018","140","34","10682","10686","10.1021/jacs.8b06770","","","0.71073","MoKα","","0.1345","0.0908","","","0.2228","0.262","","","","","","1.032","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4132814","14.0315","0.0012","14.0315","0.0012","10.2484","0.0017","90","","90","","120","","1747.4","0.4","100","2","99.98","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C34 H40 Cl6 Mn2 N2 O12 -","- C33.9984 H39.996 Cl6 Mn2 N2 O12 -","- C33.9984 H39.996 Cl6 Mn2 N2 O12 -","1","0.0833333","","Liu, Lujia; Li, Liang; DeGayner, Jordan A.; Winegar, Peter H.; Fang, Yu; Harris, T. David","Harnessing Structural Dynamics in a 2D Manganese-Benzoquinoid Framework To Dramatically Accelerate Metal Transport in Diffusion-Limited Metal Exchange Reactions.","Journal of the American Chemical Society","2018","140","36","11444","11453","10.1021/jacs.8b06774","","","0.71073","MoKα","","0.079","0.068","","","0.1909","0.1963","","","","","","1.114","","","","has coordinates,has disorder","242715","2020-10-21","18:00:00",""
"4132815","13.657","0.0011","13.657","0.0011","9.7446","0.001","90","","90","","120","","1574","0.2","100","2","99.96","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C36 H42 Cl6 Co3 N6 O18 -","- C36 H42 Cl6 Co3 N6 O18 -","- C36 H42 Cl6 Co3 N6 O18 -","1","0.0833333","","Liu, Lujia; Li, Liang; DeGayner, Jordan A.; Winegar, Peter H.; Fang, Yu; Harris, T. David","Harnessing Structural Dynamics in a 2D Manganese-Benzoquinoid Framework To Dramatically Accelerate Metal Transport in Diffusion-Limited Metal Exchange Reactions.","Journal of the American Chemical Society","2018","140","36","11444","11453","10.1021/jacs.8b06774","","","0.71073","MoKα","","0.1506","0.1093","","","0.347","0.3778","","","","","","1.371","","","","has coordinates,has disorder","242715","2020-10-21","18:00:00",""
"4132816","13.729","0.002","13.729","0.002","9.58","0.004","90","","90","","120","","1563.8","0.7","100","2","100.01","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C36 H42 Cl6 N6 O18 Zn3 -","- C36 H42 Cl6 N6 O18 Zn3 -","- C36 H42 Cl6 N6 O18 Zn3 -","1","0.0833333","","Liu, Lujia; Li, Liang; DeGayner, Jordan A.; Winegar, Peter H.; Fang, Yu; Harris, T. David","Harnessing Structural Dynamics in a 2D Manganese-Benzoquinoid Framework To Dramatically Accelerate Metal Transport in Diffusion-Limited Metal Exchange Reactions.","Journal of the American Chemical Society","2018","140","36","11444","11453","10.1021/jacs.8b06774","","","0.71073","MoKα","","0.1695","0.1393","","","0.4038","0.4215","","","","","","1.711","","","","has coordinates,has disorder","242715","2020-10-21","18:00:00",""
"4132817","13.7048","0.0007","13.7048","0.0007","10.1772","0.001","90","","90","","120","","1655.4","0.2","100","2","99.96","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C34 H40 Cl6 Co2 N2 O12 -","- C33.9984 H39.996 Cl6 Co2 N2 O12 -","- C33.9984 H39.996 Cl6 Co2 N2 O12 -","1","0.0833333","","Liu, Lujia; Li, Liang; DeGayner, Jordan A.; Winegar, Peter H.; Fang, Yu; Harris, T. David","Harnessing Structural Dynamics in a 2D Manganese-Benzoquinoid Framework To Dramatically Accelerate Metal Transport in Diffusion-Limited Metal Exchange Reactions.","Journal of the American Chemical Society","2018","140","36","11444","11453","10.1021/jacs.8b06774","","","0.71073","MoKα","","0.1047","0.0789","","","0.2526","0.2723","","","","","","1.14","","","","has coordinates,has disorder","242715","2020-10-21","18:00:00",""
"4132818","22.04","0.006","18.983","0.005","34.465","0.008","90","","97.799","0.004","90","","14286","6","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C150 H134 Au10 Cl2 O P8 Pd -","- C150 H134 Au10 Cl2 O P8 Pd -","- C600 H536 Au40 Cl8 O4 P32 Pd4 -","4","1","","Takano, Shinjiro; Hirai, Haru; Muramatsu, Satoru; Tsukuda, Tatsuya","Hydride-Mediated Controlled Growth of a Bimetallic (Pd@Au<sub>8</sub>)<sup>2+</sup> Superatom to a Hydride-Doped (HPd@Au<sub>10</sub>)<sup>3+</sup> Superatom.","Journal of the American Chemical Society","2018","140","39","12314","12317","10.1021/jacs.8b06783","","","0.71075","MoKα","","0.0656","0.0579","","","0.1389","0.1461","","","","","","1.131","","","","has coordinates","242716","2020-10-21","18:00:00",""
"4132819","25.297","0.008","28.549","0.006","13.719","0.005","90","","90","","90","","9908","5","200","","199.99","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C12.76 H5 O16 Zr3 -","- C13 H5 O16 Zr3 -","- C104 H40 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.2241","0.1303","","","0.3431","0.4277","","","","","","1.212","","","","has coordinates,has disorder","242717","2020-10-21","18:00:00",""
"4132820","25.238","0.003","26.867","0.003","16.779","0.002","90","","90","","90","","11377","2","200","","200","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C13 H6 O16 Zr3 -","- C13 H6 O16 Zr3 -","- C104 H48 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.1224","0.0824","","","0.2176","0.2713","","","","","","1.015","","","","has coordinates","242718","2020-10-21","18:00:00",""
"4132821","25.325","0.002","28.408","0.003","14.2372","0.0016","90","","90","","90","","10242.7","1.8","300","","299.99","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C13 H5 O16 Zr3 -","- C13 H5 O16 Zr3 -","- C104 H40 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.192","0.1222","","","0.3282","0.4042","","","","","","1.249","","","","has coordinates,has disorder","242719","2020-10-21","18:00:00",""
"4132822","25.1372","0.0007","28.199","0.0008","15.8108","0.0005","90","","90","","90","","11207.4","0.6","200","","199.99","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C11.87 H5 O16 Zr3 -","- C11.8666 H5 O16 Zr3 -","- C94.9328 H40 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.0692","0.0473","","","0.1401","0.1501","","","","","","1.076","","","","has coordinates","242720","2020-10-21","18:00:00",""
"4132823","25.1305","0.0009","26.1041","0.0011","18.9051","0.0009","90","","90","","90","","12401.9","0.9","200","","200","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C13 H3 O16 Zr4.8 -","- C13 H3 O16 Zr4.8 -","- C104 H24 O128 Zr38.4 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.2184","0.1547","","","0.4405","0.4817","","","","","","1.834","","","","has coordinates","242721","2020-10-21","18:00:00",""
"4132824","25.385","0.003","30.661","0.003","8.2771","0.0009","90","","90","","90","","6442.3","1.2","200","","200","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C11 H5 O16 Zr3 -","- C11 H5 O16 Zr3 -","- C88 H40 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.1164","0.0882","","","0.2212","0.239","","","","","","1.037","","","","has coordinates","242722","2020-10-21","18:00:00",""
"4132825","25.2517","0.0015","29.1742","0.0016","12.7318","0.0011","90","","90","","90","","9379.5","1.1","200","","200","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C23 H10 O28 Zr6 -","- C23 H10 O28 Zr6 -","- C92 H40 O112 Zr24 -","4","0.25","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.1176","0.0741","","","0.1961","0.2359","","","","","","0.952","","","","has coordinates","242723","2020-10-21","18:00:00",""
"4132826","25.347","0.002","28.534","0.004","13.8822","0.0015","90","","90","","90","","10040.3","1.9","250","","249.98","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C13 H5 O16 Zr3 -","- C13 H5 O16 Zr3 -","- C104 H40 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.2331","0.1297","","","0.3353","0.4277","","","","","","1.177","","","","has coordinates","242724","2020-10-21","18:00:00",""
"4132827","8.2246","0.0004","11.1146","0.0005","13.3192","0.0006","90","","90","","90","","1217.55","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","","Wang, Chao; Ge, Shaozhong","Versatile Cobalt-Catalyzed Enantioselective Entry to Boryl-Functionalized All-Carbon Quaternary Stereogenic Centers.","Journal of the American Chemical Society","2018","140","34","10687","10690","10.1021/jacs.8b06814","","","1.54178","CuKα","","0.0258","0.0256","","","0.0672","0.0675","","","","","","1.061","","","","has coordinates","242725","2020-10-21","18:00:00",""
"4132828","9.6162","0.0003","11.1763","0.0004","19.1286","0.0007","90","","90","","90","","2055.82","0.12","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H32 O4 Si -","- C17 H32 O4 Si -","- C68 H128 O16 Si4 -","4","1","","Shim, Su Yong; Choi, Yuna; Ryu, Do Hyun","Asymmetric Synthesis of Cyclobutanone via Lewis Acid Catalyzed Tandem Cyclopropanation/Semipinacol Rearrangement.","Journal of the American Chemical Society","2018","140","36","11184","11188","10.1021/jacs.8b06835","","","0.71073","MoKα","","0.0813","0.0511","","","0.1123","0.1283","","","","","","1.035","","","","has coordinates","242726","2020-10-21","18:00:00",""
"4132829","15.389","0.002","15.389","0.002","15.389","0.002","90","","90","","90","","3644.4","0.8","143","2","143","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- C56 H40 O2 -","- C55.9992 H39.9984 O1.9998 -","- C223.997 H159.994 O7.9992 -","4","0.166667","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","","0.71075","MoKα","","0.0586","0.0447","","","0.1178","0.1269","","","","","","1.071","","","","has coordinates,has disorder","242727","2020-10-21","18:00:00",""
"4132830","14.5888","0.0002","17.7841","0.0003","24.7553","0.0003","88.1169","0.0012","77.0096","0.0012","71.8812","0.0013","5943.27","0.16","123","2","123.15","","","","","","","","","3","P -1","-P 1","2","","","","- C76 H46.88 Cl3.38 -","- C76 H46.875 Cl3.375 -","- C304 H187.5 Cl13.5 -","4","2","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","x-ray","0.71073","MoKα","","0.1735","0.1122","","","0.3374","0.3797","","","","","","1.337","","","","has coordinates,has disorder","242727","2020-10-21","18:00:00",""
"4132831","21.2743","0.0006","21.2743","0.0006","39.683","0.0013","90","","90","","120","","15554.1","0.8","123","","123","","","","","","","","","3","P 63","P 6c","173","","","","- C131 H48 S5.2 -","- C130.998 H48 S5.1664 -","- C785.99 H288 S30.9984 -","6","1","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","","0.71073","MoKα","","0.2331","0.1554","","","0.3771","0.4369","","","","","","1.596","","","","has coordinates,has disorder","242727","2020-10-21","18:00:00",""
"4132832","15.3269","0.0018","15.3269","0.0018","6.7369","0.0008","90","","90","","90","","1582.6","0.3","123","","123","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C32 H8 Br8 -","- C32 H8 Br8 -","- C64 H16 Br16 -","2","0.25","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","","0.71075","MoKα","","0.0627","0.0499","","","0.1206","0.1269","","","","","","1.04","","","","has coordinates","242727","2020-10-21","18:00:00",""
"4132833","26.519","0.003","16.3677","0.0014","7.2411","0.0005","90","","91.013","0.003","90","","3142.5","0.5","123","2","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Br8 -","- C32 H16 Br8 -","- C128 H64 Br32 -","4","0.5","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","","0.71075","MoKα","","0.0257","0.0207","","","0.0549","0.056","","","","","","1.018","","","","has coordinates","242727","2020-10-21","18:00:00",""
"4132834","17.425","0.005","17.425","0.005","4.1752","0.0011","90","","90","","90","","1267.7","0.6","123","","123","2","","","","","","","","3","P -4","P -4","81","","","","- C16 H10 Br2 -","- C16 H10 Br2 -","- C64 H40 Br8 -","4","1","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","","0.71075","MoKα","","0.0566","0.0437","","","0.0913","0.0946","","","","","","0.938","","","","has coordinates","242727","2020-10-21","18:00:00",""
"4132835","9.151","0.003","16.045","0.005","17.033","0.004","101.204","0.007","91.626","0.005","103.253","0.006","2380.9","1.2","123","2","123","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H24 Br12 -","- C48 H24 Br12 -","- C96 H48 Br24 -","2","1","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","","0.71075","MoKα","","0.0535","0.0308","","","0.0569","0.0636","","","","","","1.004","","","","has coordinates","242727","2020-10-21","18:00:00",""
"4132836","16.0517","0.0002","8.0441","0.0001","24.0949","0.0003","90","","101.394","0.001","90","","3049.85","0.07","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 N7 O6 -","- C11 H15 N7 O6 -","- C88 H120 N56 O48 -","8","1","","Li, Hongze; Shen, Shou-Jie; Zhu, Cheng-Liang; Xu, Hao","Enantioselective Synthesis of Oseltamivir Phosphate (Tamiflu) via the Iron-Catalyzed Stereoselective Olefin Diazidation.","Journal of the American Chemical Society","2018","140","33","10619","10626","10.1021/jacs.8b06900","","","1.54178","CuKα","","0.0351","0.0344","","","0.0879","0.0886","","","","","","1.065","","","","has coordinates","242728","2020-10-21","18:00:00",""
"4132837","21.9819","0.0008","40.8081","0.0014","26.4575","0.0008","90","","109.805","0.001","90","","22329.6","1.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C208 H176 Cl0 Cu8 F0 N8 Ni P16 -","- C208 H176 Cu8 N8 Ni P16 -","- C832 H704 Cu32 N32 Ni4 P64 -","4","1","","Evariste, Sloane; Khalil, Ali Moustafa; Moussa, Mehdi Elsayed; Chan, Alan Kwun-Wa; Hong, Eugene Yau-Hin; Wong, Hok-Lai; Le Guennic, Boris; Calvez, Guillaume; Costuas, Karine; Yam, Vivian Wing-Wah; Lescop, Christophe","Adaptive Coordination-Driven Supramolecular Syntheses toward New Polymetallic Cu(I) Luminescent Assemblies.","Journal of the American Chemical Society","2018","140","39","12521","12526","10.1021/jacs.8b06901","","","0.71073","MoKα","","0.0801","0.0479","","","0.1282","0.1361","","","","","","1.056","","","","has coordinates,has disorder","242729","2020-10-21","18:00:00",""
"4132838","22.102","0.003","41.025","0.007","26.653","0.003","90","","109.729","0.005","90","","22749","6","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C208 H176 Cl0 Cu8 F0 N8 P16 Pt -","- C208 H176 Cu8 N8 P16 Pt -","- C832 H704 Cu32 N32 P64 Pt4 -","4","1","","Evariste, Sloane; Khalil, Ali Moustafa; Moussa, Mehdi Elsayed; Chan, Alan Kwun-Wa; Hong, Eugene Yau-Hin; Wong, Hok-Lai; Le Guennic, Boris; Calvez, Guillaume; Costuas, Karine; Yam, Vivian Wing-Wah; Lescop, Christophe","Adaptive Coordination-Driven Supramolecular Syntheses toward New Polymetallic Cu(I) Luminescent Assemblies.","Journal of the American Chemical Society","2018","140","39","12521","12526","10.1021/jacs.8b06901","","","0.71073","MoKα","","0.1172","0.0591","","","0.1309","0.146","","","","","","0.977","","","","has coordinates,has disorder","242730","2020-10-21","18:00:00",""
"4132839","25.734","0.002","25.734","","15.573","0.001","90","","90","","120","","8931.4","0.9","100","2","100","2","","","","","","","","7","P 65","P 65","170","","","","- C52 H44 Cl0 Cu2 F0 N2 P4 -","- C52 H44 Cu2 N2 P4 -","- C312 H264 Cu12 N12 P24 -","6","1","","Evariste, Sloane; Khalil, Ali Moustafa; Moussa, Mehdi Elsayed; Chan, Alan Kwun-Wa; Hong, Eugene Yau-Hin; Wong, Hok-Lai; Le Guennic, Boris; Calvez, Guillaume; Costuas, Karine; Yam, Vivian Wing-Wah; Lescop, Christophe","Adaptive Coordination-Driven Supramolecular Syntheses toward New Polymetallic Cu(I) Luminescent Assemblies.","Journal of the American Chemical Society","2018","140","39","12521","12526","10.1021/jacs.8b06901","","","0.71069","MoKα","","0.0894","0.0587","","","0.1356","0.1463","","","","","","0.935","","","","has coordinates,has disorder","242731","2020-10-21","18:00:00",""
"4132840","22.143","0.002","40.92","0.004","26.645","0.002","90","","109.747","0.004","90","","22723","4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C208 H176 Cl0 Cu8 F0 N8 P16 Pd -","- C208 H176 Cu8 N8 P16 Pd -","- C832 H704 Cu32 N32 P64 Pd4 -","4","1","","Evariste, Sloane; Khalil, Ali Moustafa; Moussa, Mehdi Elsayed; Chan, Alan Kwun-Wa; Hong, Eugene Yau-Hin; Wong, Hok-Lai; Le Guennic, Boris; Calvez, Guillaume; Costuas, Karine; Yam, Vivian Wing-Wah; Lescop, Christophe","Adaptive Coordination-Driven Supramolecular Syntheses toward New Polymetallic Cu(I) Luminescent Assemblies.","Journal of the American Chemical Society","2018","140","39","12521","12526","10.1021/jacs.8b06901","","","0.71073","MoKα","","0.1047","0.0536","","","0.1244","0.1375","","","","","","0.953","","","","has coordinates,has disorder","242732","2020-10-21","18:00:00",""
"4132841","9.953","0.002","11.3275","0.0018","20.749","0.007","100.758","0.014","92.964","0.018","107.228","0.017","2180.8","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H74 B2 N4 -","- C47 H74 B2 N4 -","- C94 H148 B4 N8 -","2","1","","Böhnke, Julian; Arrowsmith, Merle; Braunschweig, Holger","Reactivity Enhancement of a Zerovalent Diboron Compound by Desymmetrization.","Journal of the American Chemical Society","2018","140","32","10368","10373","10.1021/jacs.8b06930","","","0.71073","MoKα","","0.0634","0.0463","","","0.1036","0.1112","","","","","","1.043","","","","has coordinates","242733","2020-10-21","18:00:00",""
"4132842","9.284","0.003","10.496","0.003","13.51","0.004","85.852","0.009","89.48","0.02","76.537","0.009","1276.9","0.7","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H44 B N3 -","- C27 H44 B N3 -","- C54 H88 B2 N6 -","2","1","","Böhnke, Julian; Arrowsmith, Merle; Braunschweig, Holger","Reactivity Enhancement of a Zerovalent Diboron Compound by Desymmetrization.","Journal of the American Chemical Society","2018","140","32","10368","10373","10.1021/jacs.8b06930","","","0.71073","MoKα","","0.0703","0.0465","","","0.101","0.1118","","","","","","1.02","","","","has coordinates","242734","2020-10-21","18:00:00",""
"4132843","10.2712","0.0015","13.8992","0.0018","16.968","0.002","112.261","0.004","95.387","0.005","95.049","0.005","2211.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H76 B2 N4 -","- C47 H76 B2 N4 -","- C94 H152 B4 N8 -","2","1","","Böhnke, Julian; Arrowsmith, Merle; Braunschweig, Holger","Reactivity Enhancement of a Zerovalent Diboron Compound by Desymmetrization.","Journal of the American Chemical Society","2018","140","32","10368","10373","10.1021/jacs.8b06930","","","0.71073","MoKα","","0.07","0.0495","","","0.1153","0.1294","","","","","","1.016","","","","has coordinates","242735","2020-10-21","18:00:00",""
"4132844","10.071","0.006","11.638","0.006","20.934","0.013","75.374","0.018","87.833","0.017","71.33","0.02","2247","2","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H74 B2 N4 O -","- C48 H74 B2 N4 O -","- C96 H148 B4 N8 O2 -","2","1","","Böhnke, Julian; Arrowsmith, Merle; Braunschweig, Holger","Reactivity Enhancement of a Zerovalent Diboron Compound by Desymmetrization.","Journal of the American Chemical Society","2018","140","32","10368","10373","10.1021/jacs.8b06930","","","0.71073","MoKα","","0.0565","0.0412","","","0.0933","0.1011","","","","","","1.024","","","","has coordinates","242736","2020-10-21","18:00:00",""
"4132845","9.589","0.005","26.28","0.014","17.416","0.018","90","","95.42","0.05","90","","4369","6","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H74 B2 N4 -","- C47 H74 B2 N4 -","- C188 H296 B8 N16 -","4","1","","Böhnke, Julian; Arrowsmith, Merle; Braunschweig, Holger","Reactivity Enhancement of a Zerovalent Diboron Compound by Desymmetrization.","Journal of the American Chemical Society","2018","140","32","10368","10373","10.1021/jacs.8b06930","","","0.71073","MoKα","","0.0959","0.0539","","","0.1119","0.128","","","","","","1.009","","","","has coordinates","242737","2020-10-21","18:00:00",""
"4132846","11.7","0.006","29.459","0.015","15.953","0.005","90","","92.18","0.03","90","","5495","4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H92 B2 N6 -","- C60 H92 B2 N6 -","- C240 H368 B8 N24 -","4","1","","Böhnke, Julian; Arrowsmith, Merle; Braunschweig, Holger","Reactivity Enhancement of a Zerovalent Diboron Compound by Desymmetrization.","Journal of the American Chemical Society","2018","140","32","10368","10373","10.1021/jacs.8b06930","","","0.71073","MoKα","","0.0511","0.0399","","","0.0934","0.099","","","","","","1.017","","","","has coordinates","242738","2020-10-21","18:00:00",""
"4132847","12.5497","0.0017","16.7205","0.0017","49.892","0.007","90","","90","","90","","10469","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C94 H83 Cl17 N4 O S6 -","- C94 H83 Cl17 N4 O S6 -","- C376 H332 Cl68 N16 O4 S24 -","4","1","","Sarma, Tridib; Kim, Gakhyun; Sen, Sajal; Cha, Won-Young; Duan, Zhiming; Moore, Matthew D.; Lynch, Vincent M.; Zhang, Zhan; Kim, Dongho; Sessler, Jonathan L.","Proton-Coupled Redox Switching in an Annulated π-Extended Core-Modified Octaphyrin.","Journal of the American Chemical Society","2018","140","38","12111","12119","10.1021/jacs.8b06938","","","1.54184","CuKα","","0.2229","0.1417","","","0.2946","0.3695","","","","","","1.116","","","","has coordinates,has disorder","242739","2020-10-21","18:00:00",""
"4132848","13.511","0.003","27.674","0.006","14.945","0.003","90","","115.79","0.03","90","","5031","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 N2 S3 -","- C42 H30 N2 S3 -","- C168 H120 N8 S12 -","4","1","","Sarma, Tridib; Kim, Gakhyun; Sen, Sajal; Cha, Won-Young; Duan, Zhiming; Moore, Matthew D.; Lynch, Vincent M.; Zhang, Zhan; Kim, Dongho; Sessler, Jonathan L.","Proton-Coupled Redox Switching in an Annulated π-Extended Core-Modified Octaphyrin.","Journal of the American Chemical Society","2018","140","38","12111","12119","10.1021/jacs.8b06938","","","0.6525","synchrotron","","0.1368","0.1272","","","0.3594","0.3649","","","","","","1.089","","","","has coordinates","242740","2020-10-21","18:00:00",""
"4132849","12.841","0.003","13.475","0.003","13.87","0.003","90.48","0.03","109.93","0.03","96.86","0.03","2237","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H30 N2 S3 -","- C42 H31 N2 S3 -","- C84 H62 N4 S6 -","2","1","","Sarma, Tridib; Kim, Gakhyun; Sen, Sajal; Cha, Won-Young; Duan, Zhiming; Moore, Matthew D.; Lynch, Vincent M.; Zhang, Zhan; Kim, Dongho; Sessler, Jonathan L.","Proton-Coupled Redox Switching in an Annulated π-Extended Core-Modified Octaphyrin.","Journal of the American Chemical Society","2018","140","38","12111","12119","10.1021/jacs.8b06938","","","0.6525","synchrotron","","0.0886","0.0867","","","0.2683","0.2692","","","","","","1.092","","","","has coordinates","242741","2020-10-21","18:00:00",""
"4132850","16.094","0.003","35.62","0.007","15.672","0.003","90","","90","","90","","8984","3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C84 H63 I3 N4 S6 -","- C84 H63 I3 N4 S6 -","- C336 H252 I12 N16 S24 -","4","0.5","","Sarma, Tridib; Kim, Gakhyun; Sen, Sajal; Cha, Won-Young; Duan, Zhiming; Moore, Matthew D.; Lynch, Vincent M.; Zhang, Zhan; Kim, Dongho; Sessler, Jonathan L.","Proton-Coupled Redox Switching in an Annulated π-Extended Core-Modified Octaphyrin.","Journal of the American Chemical Society","2018","140","38","12111","12119","10.1021/jacs.8b06938","","","0.6525","synchrotron","","0.0712","0.0653","","","0.1867","0.1949","","","","","","1.024","","","","has coordinates","242742","2020-10-21","18:00:00",""
"4132851","8.712","0.012","9.31","0.012","10.408","0.014","90.938","0.015","106.524","0.011","110.571","0.016","751.3","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 N2 O2 S4 -","- C30 H40 N2 O2 S4 -","- C30 H40 N2 O2 S4 -","1","0.5","","Zang, Yaping; Ray, Suman; Fung, E-Dean; Borges, Anders; Garner, Marc H.; Steigerwald, Michael L.; Solomon, Gemma C.; Patil, Satish; Venkataraman, Latha","Resonant Transport in Single Diketopyrrolopyrrole Junctions.","Journal of the American Chemical Society","2018","140","41","13167","13170","10.1021/jacs.8b06964","","","0.71073","MoKα","","0.0759","0.0597","","","0.1956","0.2234","","","","","","0.853","","","","has coordinates","242743","2020-10-21","18:00:00",""
"4132852","8.4494","0.0006","12.7483","0.0008","25.855","0.002","90","","90","","90","","2785","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 I N O -","- C16 H14 I N O -","- C128 H112 I8 N8 O8 -","8","2","","Yoon, Hyung; Marchese, Austin D.; Lautens, Mark","Carboiodination Catalyzed by Nickel.","Journal of the American Chemical Society","2018","140","35","10950","10954","10.1021/jacs.8b06966","","","0.71073","MoKα","","0.052","0.0392","","","0.0859","0.0908","","","","","","1.045","","","","has coordinates,has disorder","242744","2020-10-21","18:00:00",""
"4132853","12.9127","0.0005","15.209","0.0006","27.6092","0.0009","90","","90.251","0.003","90","","5422.1","0.3","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C54 H59 Cl2 Fe2 O2 P3 S3 -","- C54 H59 Cl2 Fe2 O2 P3 S3 -","- C216 H236 Cl8 Fe8 O8 P12 S12 -","4","1","","Yu, Xin; Pang, Maofu; Zhang, Shengnan; Hu, Xinlong; Tung, Chen-Ho; Wang, Wenguang","Terminal Thiolate-Dominated H/D Exchanges and H<sub>2</sub> Release: Diiron Thiol-Hydride.","Journal of the American Chemical Society","2018","140","36","11454","11463","10.1021/jacs.8b06996","","","0.71073","MoKα","","0.0784","0.0526","","","0.1155","0.1253","","","","","","1.012","","","","has coordinates","242745","2020-10-21","18:00:00",""
"4132854","13.971","0.002","25.09","0.004","18.274","0.003","90","","102.738","0.002","90","","6248","1.7","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 B Cl2 F4 Fe2 O2 P3 S3 -","- C54 H60 B Cl2 F4 Fe2 O2 P3 S3 -","- C216 H240 B4 Cl8 F16 Fe8 O8 P12 S12 -","4","1","","Yu, Xin; Pang, Maofu; Zhang, Shengnan; Hu, Xinlong; Tung, Chen-Ho; Wang, Wenguang","Terminal Thiolate-Dominated H/D Exchanges and H<sub>2</sub> Release: Diiron Thiol-Hydride.","Journal of the American Chemical Society","2018","140","36","11454","11463","10.1021/jacs.8b06996","","","0.71","MoKα","","0.1201","0.0621","","","0.1386","0.1718","","","","","","1.017","","","","has coordinates","242745","2020-10-21","18:00:00",""
"4132855","17.9369","0.0005","18.5508","0.0006","18.5978","0.0006","87.191","0.003","75.218","0.003","72.693","0.003","5710.2","0.3","173","0.1","173","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C85 H70 B F24 Fe2 O2 P3 S3 -","- C85 H70 B F24 Fe2 O2 P3 S3 -","- C170 H140 B2 F48 Fe4 O4 P6 S6 -","2","1","","Yu, Xin; Pang, Maofu; Zhang, Shengnan; Hu, Xinlong; Tung, Chen-Ho; Wang, Wenguang","Terminal Thiolate-Dominated H/D Exchanges and H<sub>2</sub> Release: Diiron Thiol-Hydride.","Journal of the American Chemical Society","2018","140","36","11454","11463","10.1021/jacs.8b06996","","x-ray","1.54184","CuKα","","0.1","0.0759","","","0.2119","0.2416","","","","","","1.129","","","","has coordinates","242745","2020-10-21","18:00:00",""
"4132856","12.9031","0.0005","14.8618","0.0006","17.6715","0.0007","97.274","0.003","107.312","0.003","109.106","0.004","2961.3","0.2","172.9","0.5","172.9","0.5","","","","","","","","9","P -1","-P 1","2","","","","- C56 H64 B Cl4 F4 Fe2 O2 P3 S3 -","- C56 H64 B Cl4 F4 Fe2 O2 P3 S3 -","- C112 H128 B2 Cl8 F8 Fe4 O4 P6 S6 -","2","1","","Yu, Xin; Pang, Maofu; Zhang, Shengnan; Hu, Xinlong; Tung, Chen-Ho; Wang, Wenguang","Terminal Thiolate-Dominated H/D Exchanges and H<sub>2</sub> Release: Diiron Thiol-Hydride.","Journal of the American Chemical Society","2018","140","36","11454","11463","10.1021/jacs.8b06996","","x-ray","0.71073","MoKα","","0.0715","0.0519","","","0.1328","0.1414","","","","","","1.09","","","","has coordinates","242745","2020-10-21","18:00:00",""
"4132857","12.6592","0.0002","21.1825","0.0004","23.4254","0.0004","90","","97.296","0.002","90","","6230.74","0.19","173","0.1","173","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C57 H62 B Cl6 F4 Fe2 O3 P3 S3 -","- C57 H62 B Cl6 F4 Fe2 O3 P3 S3 -","- C228 H248 B4 Cl24 F16 Fe8 O12 P12 S12 -","4","1","","Yu, Xin; Pang, Maofu; Zhang, Shengnan; Hu, Xinlong; Tung, Chen-Ho; Wang, Wenguang","Terminal Thiolate-Dominated H/D Exchanges and H<sub>2</sub> Release: Diiron Thiol-Hydride.","Journal of the American Chemical Society","2018","140","36","11454","11463","10.1021/jacs.8b06996","","x-ray","1.54184","CuKα","","0.0772","0.0559","","","0.116","0.1326","","","","","","1.036","","","","has coordinates","242745","2020-10-21","18:00:00",""
"4132858","11.9577","0.0006","16.1735","0.0005","20.8289","0.0013","94.728","0.004","105.621","0.005","95.118","0.003","3840.1","0.3","173","0.14","173","0.14","","","","","","","","8","P -1","-P 1","2","","","","- C61 H87 B F24 Fe N2 P4 Si3 -","- C61 H87 B F24 Fe N2 P4 Si3 -","- C122 H174 B2 F48 Fe2 N4 P8 Si6 -","2","1","","Piascik, Adam D.; Li, Ruohao; Wilkinson, Harry J.; Green, Jennifer C.; Ashley, Andrew E.","Fe-Catalyzed Conversion of N<sub>2</sub> to N(SiMe<sub>3</sub>)<sub>3</sub> via an Fe-Hydrazido Resting State.","Journal of the American Chemical Society","2018","140","34","10691","10694","10.1021/jacs.8b06999","","x-ray","0.71073","MoKα","","0.1426","0.079","","","0.1875","0.2098","","","","","","1.013","","","","has coordinates,has disorder","242746","2020-10-21","18:00:00",""
"4132859","5.7976","0.0004","9.0018","0.0007","32.4827","0.0018","90","","90","","90","","1695.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 O -","- C23 H22 O -","- C92 H88 O4 -","4","1","","Huang, Rui-Zhi; Lau, Kai Kiat; Li, Zhaofeng; Liu, Tang-Lin; Zhao, Yu","Rhodium-Catalyzed Enantioconvergent Isomerization of Homoallylic and Bishomoallylic Secondary Alcohols.","Journal of the American Chemical Society","2018","140","44","14647","14654","10.1021/jacs.8b07007","","","1.54178","CuKα","","0.0289","0.0288","","","0.0771","0.0771","","","","","","0.999","","","","has coordinates","242747","2020-10-21","18:00:00",""
"4132860","22.24","0.005","22.24","0.005","15.76","0.005","90","","90","","90","","7795","4","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C60 N8 O32 Zr6 -","- C60 N8 O32 Zr6 -","- C120 N16 O64 Zr12 -","2","0.0625","","Guillerm, Vincent; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Maspoch, Daniel","Zigzag Ligands for Transversal Design in Reticular Chemistry: Unveiling New Structural Opportunities for Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","32","10153","10157","10.1021/jacs.8b07050","","","0.82656","synchrotron","","0.1779","0.1614","","","0.427","0.4507","","","","","","1.837","","","","has coordinates","242748","2020-10-21","18:00:00",""
"4132861","21.19","0.005","21.19","0.005","18.91","0.005","90","0.005","90","0.005","90","0.005","8491","4","100","2","100","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C24 H12 N4 O16 Zr3 -","- C24 H12 N4 O16 Zr3 -","- C96 H48 N16 O64 Zr12 -","4","0.125","","Guillerm, Vincent; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Maspoch, Daniel","Zigzag Ligands for Transversal Design in Reticular Chemistry: Unveiling New Structural Opportunities for Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","32","10153","10157","10.1021/jacs.8b07050","","","0.71656","synchrotron","","0.147","0.125","","","0.3303","0.3753","","","","","","1.57","","","","has coordinates","242749","2020-10-21","18:00:00",""
"4132862","16.68","","16.68","","17.94","","90","","90","","90","","4991.31","","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C12 H8 O16 Zr3 -","- C12 H8 O16 Zr3 -","- C48 H32 O64 Zr12 -","4","0.125","","Guillerm, Vincent; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Maspoch, Daniel","Zigzag Ligands for Transversal Design in Reticular Chemistry: Unveiling New Structural Opportunities for Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","32","10153","10157","10.1021/jacs.8b07050","","","0.71656","synchrotron","","0.1488","0.138","","","0.3859","0.3986","","","","","","1.655","","","","has coordinates","242750","2020-10-21","18:00:00",""
"4132863","17.54","0.005","17.54","0.005","22.85","0.005","90","0.005","90","0.005","90","0.005","7030","3","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C24 H8 O16 Zr3 -","- C24 H8 O16 Zr3 -","- C96 H32 O64 Zr12 -","4","0.125","","Guillerm, Vincent; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Maspoch, Daniel","Zigzag Ligands for Transversal Design in Reticular Chemistry: Unveiling New Structural Opportunities for Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","32","10153","10157","10.1021/jacs.8b07050","","","0.71656","synchrotron","","0.0985","0.0791","","","0.2255","0.2555","","","","","","1.141","","","","has coordinates","242751","2020-10-21","18:00:00",""
"4132864","11.8908","0.0003","15.5218","0.0003","19.7689","0.0005","95.344","0.001","90.555","0.001","108.045","0.001","3451.27","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C165 H252 Li8 N8 -","- C165 H252 Li8 N8 -","- C165 H252 Li8 N8 -","1","0.5","","Mesgar, Milad; Nguyen-Le, Justin; Daugulis, Olafs","New Hindered Amide Base for Aryne Insertion into Si-P, Si-S, Si-N, and C-C Bonds.","Journal of the American Chemical Society","2018","140","42","13703","13710","10.1021/jacs.8b07064","","","1.54178","CuKα","","0.0668","0.0591","","","0.1575","0.1674","","","","","","1.014","","","","has coordinates,has disorder","242752","2020-10-21","18:00:00",""
"4132865","23.127","0.004","7.4851","0.0012","24.166","0.004","90","","117.648","0.002","90","","3705.7","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57.65 H80.68 N9 O12.41 S3 -","- C57.663 H80.698 N9 O12.407 S3 -","- C115.326 H161.396 N18 O24.814 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1471","0.0914","","","0.2259","0.2612","","","","","","1.04","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132866","24.069","0.002","24.069","0.002","7.3724","0.0007","90","","90","","120","","3698.8","0.6","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C58.71 H75 F4.71 N9 O12 S3 -","- C58.71 H75 F4.71 N9 O12 S3 -","- C117.42 H150 F9.42 N18 O24 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0552","0.0466","","","0.1108","0.1157","","","","","","1.072","","","","has coordinates","242753","2020-10-21","18:00:00",""
"4132867","24.1573","0.0019","24.1573","0.0019","7.3306","0.0006","90","","90","","120","","3704.8","0.5","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C60 H75 F6 N9 O12 S3 -","- C60 H75 F6 N9 O12 S3 -","- C120 H150 F12 N18 O24 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0374","0.0334","","","0.0806","0.0843","","","","","","1.041","","","","has coordinates","242753","2020-10-21","18:00:00",""
"4132868","23.536","0.016","7.566","0.005","23.941","0.017","90","","118.697","0.013","90","","3740","4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52.3 H72.35 N9 O11.81 S3 -","- C52.29 H72.34 N9 O11.81 S3 -","- C104.58 H144.68 N18 O23.62 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1721","0.1524","","","0.3773","0.4011","","","","","","1.524","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132869","23.138","0.003","7.4965","0.0009","24.249","0.003","90","","117.913","0.0019","90","","3716.7","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55.99 H78.1 N9 O12.22 S3 -","- C55.989 H78.094 N9 O12.221 S3 -","- C111.978 H156.188 N18 O24.442 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1178","0.0853","","","0.2315","0.2637","","","","","","1.015","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132870","23.56","0.02","7.427","0.007","24.06","0.02","90","","119.054","0.008","90","","3680","6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51.97 H68.53 F2.13 N9 O11.54 S3 -","- C52.02 H68.56 F2.16 N9 O11.54 S3 -","- C104.04 H137.12 F4.32 N18 O23.08 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.186","0.1634","","","0.4232","0.4395","","","","","","1.669","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132871","23.775","0.019","7.455","0.006","24.128","0.019","90","","119.33","0.007","90","","3728","5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51.86 H67.42 F2.74 N9 O11.46 S3 -","- C51.9 H67.44 F2.76 N9 O11.46 S3 -","- C103.8 H134.88 F5.52 N18 O22.92 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1512","0.1335","","","0.3627","0.3766","","","","","","1.502","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132872","24.102","0.013","24.102","0.013","7.467","0.004","90","","90","","120","","3756","4","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C53.9 H69.35 F3.53 N9 O11.6 S3 -","- C53.922 H69.372 F3.54 N9 O11.598 S3 -","- C107.844 H138.744 F7.08 N18 O23.196 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1215","0.1013","","","0.2538","0.2711","","","","","","1.06","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132873","23.156","0.003","7.5003","0.0011","24.257","0.003","90","","117.923","0.002","90","","3722.4","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55.79 H77.78 N9 O12.2 S3 -","- C55.8 H77.8 N9 O12.2 S3 -","- C111.6 H155.6 N18 O24.4 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1187","0.0853","","","0.2285","0.2586","","","","","","1.018","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132874","24.155","0.016","24.155","0.016","7.471","0.005","90","","90","","120","","3775","4","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C55.24 H71.95 F3.2 N9 O11.78 S3 -","- C55.254 H71.976 F3.198 N9 O11.784 S3 -","- C110.508 H143.952 F6.396 N18 O23.568 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1132","0.0877","","","0.2165","0.2346","","","","","","1.072","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132875","24.002","0.005","24.002","0.005","7.3978","0.0014","90","","90","","120","","3690.9","1.3","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C56.32 H73.09 F3.55 N9 O11.86 S3 -","- C56.31 H73.068 F3.552 N9 O11.862 S3 -","- C112.62 H146.136 F7.104 N18 O23.724 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0792","0.0617","","","0.157","0.1678","","","","","","1.052","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132876","24.012","0.005","24.012","0.005","7.3899","0.0015","90","","90","","120","","3690","1.3","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C56.94 H73.66 F3.8 N9 O11.9 S3 -","- C56.94 H73.656 F3.804 N9 O11.904 S3 -","- C113.88 H147.312 F7.608 N18 O23.808 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0755","0.055","","","0.1353","0.1459","","","","","","1.057","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132877","22.955","0.005","7.4557","0.0016","24.079","0.005","90","","117.366","0.003","90","","3659.8","1.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57.06 H79.76 N9 O12.34 S3 -","- C57.06 H79.76 N9 O12.34 S3 -","- C114.12 H159.52 N18 O24.68 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0996","0.0781","","","0.2126","0.2289","","","","","","1.051","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132878","24.031","0.003","24.031","0.003","7.4029","0.0009","90","","90","","120","","3702.3","0.8","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C58.98 H75 F4.98 N9 O12 S3 -","- C58.974 H75 F4.974 N9 O12 S3 -","- C117.948 H150 F9.948 N18 O24 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0389","0.035","","","0.0873","0.0896","","","","","","1.064","","","","has coordinates","242753","2020-10-21","18:00:00",""
"4132879","23.083","0.006","7.4875","0.0019","24.195","0.006","90","","117.476","0.004","90","","3710","1.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57.35 H80.21 N9 O12.37 S3 -","- C57.33 H80.18 N9 O12.37 S3 -","- C114.66 H160.36 N18 O24.74 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1077","0.0774","","","0.2043","0.2313","","","","","","1.013","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132880","23.21","0.007","7.505","0.002","24.29","0.007","90","","118.069","0.006","90","","3733.4","1.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55.58 H77.45 N9 O12.18 S3 -","- C55.593 H77.478 N9 O12.177 S3 -","- C111.186 H154.956 N18 O24.354 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.41328","synchrotron","","0.2129","0.1386","","","0.3236","0.3789","","","","","","1.246","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132881","13.9142","0.0002","8.6687","0.0001","15.2614","0.0002","90","","106.428","0.001","90","","1765.65","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N3 O2 -","- C19 H23 N3 O2 -","- C76 H92 N12 O8 -","4","1","","Shao, Baihao; Baroncini, Massimo; Qian, Hai; Bussotti, Laura; Di Donato, Mariangela; Credi, Alberto; Aprahamian, Ivan","Solution and Solid-State Emission Toggling of a Photochromic Hydrazone.","Journal of the American Chemical Society","2018","140","39","12323","12327","10.1021/jacs.8b07108","","","1.54178","CuKα","","0.0416","0.0361","","","0.094","0.0982","","","","","","1.039","","","","has coordinates","242754","2020-10-21","18:00:00",""
"4132882","4.9956","0.0002","9.5201","0.0004","17.7596","0.0007","102.122","0.003","92.757","0.003","90.57","0.003","824.66","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C36 H42 N6 O4 -","2","1","","Shao, Baihao; Baroncini, Massimo; Qian, Hai; Bussotti, Laura; Di Donato, Mariangela; Credi, Alberto; Aprahamian, Ivan","Solution and Solid-State Emission Toggling of a Photochromic Hydrazone.","Journal of the American Chemical Society","2018","140","39","12323","12327","10.1021/jacs.8b07108","","","1.54178","CuKα","","0.1159","0.0585","","","0.1267","0.1527","","","","","","0.977","","","","has coordinates,has disorder","242755","2020-10-21","18:00:00",""
"4132883","17.7914","0.0005","22.1948","0.0006","12.5214","0.0003","90","","108.913","0.003","90","","4677.5","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 O8 Th -","- C24 H12 O8 Th -","- C192 H96 O64 Th8 -","8","1","","Andreo, Jacopo; Priola, Emanuele; Alberto, Gabriele; Benzi, Paola; Marabello, Domenica; Proserpio, Davide M.; Lamberti, Carlo; Diana, Eliano","Autoluminescent Metal-Organic Frameworks (MOFs): Self-Photoemission of a Highly Stable Thorium MOF.","Journal of the American Chemical Society","2018","140","43","14144","14149","10.1021/jacs.8b07113","","x-ray","1.54184","CuKα","","0.036","0.0206","","","0.045","0.0513","","","","","","1.053","","","","has coordinates","242756","2020-10-21","18:00:00",""
"4132884","12.2182","0.0011","18.0171","0.0017","12.297","0.0012","90","","92.787","0.002","90","","2703.8","0.4","293","2","293","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C54 H64 B Cl4 F4 N2 O4 P2 Rh -","- C54 H64 B Cl4 F4 N2 O4 P2 Rh -","- C108 H128 B2 Cl8 F8 N4 O8 P4 Rh2 -","2","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0565","0.0509","","","0.1217","0.1254","","","","","","1.035","","","","has coordinates","242757","2020-10-21","18:00:00",""
"4132885","8.1187","0.0005","17.3795","0.0011","26.7272","0.0017","90","","90","","90","","3771.2","0.4","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H55 N O4 -","- C46 H55 N O4 -","- C184 H220 N4 O16 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0589","0.0455","","","0.1053","0.1125","","","","","","1.031","","","","has coordinates","242758","2020-10-21","18:00:00",""
"4132886","11.4166","0.0014","11.8782","0.0015","13.8141","0.0017","90","","90","","90","","1873.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N O2 P -","- C22 H24 N O2 P -","- C88 H96 N4 O8 P4 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0481","0.0437","","","0.1037","0.1069","","","","","","1.053","","","","has coordinates","242759","2020-10-21","18:00:00",""
"4132887","9.5365","0.001","9.5132","0.001","12.9888","0.0014","90","","97.298","0.002","90","","1168.8","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H27 Br2 N O3 -","- C25 H27 Br2 N O3 -","- C50 H54 Br4 N2 O6 -","2","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0493","0.039","","","0.0904","0.095","","","","","","0.922","","","","has coordinates","242760","2020-10-21","18:00:00",""
"4132888","11.5285","0.0015","14.1892","0.0018","18.146","0.002","90","","90","","90","","2968.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 N O2 P -","- C36 H36 N O2 P -","- C144 H144 N4 O8 P4 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.064","0.0506","","","0.1218","0.1306","","","","","","1.023","","","","has coordinates","242761","2020-10-21","18:00:00",""
"4132889","9.8789","0.0007","16.8273","0.0011","18.6928","0.0012","90","","92.193","0.001","90","","3105.1","0.4","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H36 Au Cl N O2 P -","- C36 H36 Au Cl N O2 P -","- C144 H144 Au4 Cl4 N4 O8 P4 -","4","2","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0296","0.0233","","","0.0527","0.0565","","","","","","1.004","","","","has coordinates","242762","2020-10-21","18:00:00",""
"4132890","16.751","0.0018","18.5377","0.0019","11.9955","0.0013","90","","90","","90","","3724.9","0.7","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C44 H48 Cl N O2 P Rh -","- C44 H48 Cl N O2 P Rh -","- C176 H192 Cl4 N4 O8 P4 Rh4 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0439","0.0401","","","0.0912","0.0933","","","","","","1.096","","","","has coordinates","242763","2020-10-21","18:00:00",""
"4132891","9.9333","0.0009","11.0826","0.001","17.7523","0.0017","90","","90","","90","","1954.3","0.3","293","2","293","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 -","- C28 H24 -","- C112 H96 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0568","0.0419","","","0.0949","0.1024","","","","","","1.021","","","","has coordinates","242764","2020-10-21","18:00:00",""
"4132892","8.3744","0.0009","25.699","0.003","9.3187","0.0009","90","","90","","90","","2005.5","0.4","130","","130","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H26 O5 -","- C24 H26 O5 -","- C96 H104 O20 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0808","0.0478","","","0.0926","0.1057","","","","","","1.012","","","","has coordinates","242765","2020-10-21","18:00:00",""
"4132893","10.326","0.0005","25.5247","0.0011","11.4411","0.0005","90","","91.155","0.002","90","","3014.9","0.2","100","2","99.9","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C59.32 H39 Cl5.89 Co2 F6 N6 O12 S2 -","- C59.322 H39 Cl5.89 Co2 F6 N6 O12 S2 -","- C118.644 H78 Cl11.78 Co4 F12 N12 O24 S4 -","2","1","","Zhang, Shi-Yuan; Jensen, Stephanie; Tan, Kui; Wojtas, Lukasz; Roveto, Matthew; Cure, Jeremy; Thonhauser, Timo; Chabal, Yves J.; Zaworotko, Michael J.","Modulation of Water Vapor Sorption by a Fourth-Generation Metal-Organic Material with a Rigid Framework and Self-Switching Pores.","Journal of the American Chemical Society","2018","140","39","12545","12552","10.1021/jacs.8b07290","","","1.54178","CuKα","","0.0738","0.0613","","","0.1365","0.1461","","","","","","1.058","","","","has coordinates,has disorder","242766","2020-10-21","18:00:00",""
"4132894","10.3499","0.0005","25.461","0.0012","11.4211","0.0006","90","","91.403","0.003","90","","3008.8","0.3","100","2","100.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C59.42 H45.61 Cl3.81 Co2 F6 N6 O12 S2 -","- C59.406 H45.604 Cl3.802 Co2 F6 N6 O12 S2 -","- C118.812 H91.208 Cl7.604 Co4 F12 N12 O24 S4 -","2","1","","Zhang, Shi-Yuan; Jensen, Stephanie; Tan, Kui; Wojtas, Lukasz; Roveto, Matthew; Cure, Jeremy; Thonhauser, Timo; Chabal, Yves J.; Zaworotko, Michael J.","Modulation of Water Vapor Sorption by a Fourth-Generation Metal-Organic Material with a Rigid Framework and Self-Switching Pores.","Journal of the American Chemical Society","2018","140","39","12545","12552","10.1021/jacs.8b07290","","","1.54178","CuKα","","0.0572","0.0509","","","0.1131","0.1159","","","","","","1.045","","","","has coordinates,has disorder","242768","2020-10-21","18:00:00",""
"4132895","10.2985","0.0004","22.9298","0.0009","25.5072","0.0009","90","","90","","90","","6023.3","0.4","100","2","100.29","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C55.8 H43.2 Cl2 F9 N6 O12.8 S2 Zn2 -","- C55.8 H43.2 Cl2 F9 N6 O12.8 S2 Zn2 -","- C223.2 H172.8 Cl8 F36 N24 O51.2 S8 Zn8 -","4","1","","Zhang, Shi-Yuan; Jensen, Stephanie; Tan, Kui; Wojtas, Lukasz; Roveto, Matthew; Cure, Jeremy; Thonhauser, Timo; Chabal, Yves J.; Zaworotko, Michael J.","Modulation of Water Vapor Sorption by a Fourth-Generation Metal-Organic Material with a Rigid Framework and Self-Switching Pores.","Journal of the American Chemical Society","2018","140","39","12545","12552","10.1021/jacs.8b07290","","","1.54178","CuKα","","0.0681","0.0657","","","0.1934","0.1953","","","","","","1.101","","","","has coordinates,has disorder","242769","2020-10-21","18:00:00",""
"4132896","10.1791","0.0003","25.6037","0.0008","11.4781","0.0004","90","","90.4539","0.0018","90","","2991.36","0.17","100","2","100.34","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C59 H55 Co2 F9 N6 O14 S2 -","- C59 H55 Co2 F9 N6 O14 S2 -","- C118 H110 Co4 F18 N12 O28 S4 -","2","1","","Zhang, Shi-Yuan; Jensen, Stephanie; Tan, Kui; Wojtas, Lukasz; Roveto, Matthew; Cure, Jeremy; Thonhauser, Timo; Chabal, Yves J.; Zaworotko, Michael J.","Modulation of Water Vapor Sorption by a Fourth-Generation Metal-Organic Material with a Rigid Framework and Self-Switching Pores.","Journal of the American Chemical Society","2018","140","39","12545","12552","10.1021/jacs.8b07290","","","1.54178","CuKα","","0.0724","0.0634","","","0.1402","0.1467","","","","","","1.108","","","","has coordinates,has disorder","242770","2020-10-21","18:00:00",""
"4132897","10.164","0.0006","25.6088","0.0015","11.4722","0.0007","90","","90.213","0.003","90","","2986.1","0.3","100","2","100.22","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C57 H49 Cl2 Co2 F9 N6 O14 S2 -","- C57 H49 Cl2 Co2 F9 N6 O14 S2 -","- C114 H98 Cl4 Co4 F18 N12 O28 S4 -","2","1","","Zhang, Shi-Yuan; Jensen, Stephanie; Tan, Kui; Wojtas, Lukasz; Roveto, Matthew; Cure, Jeremy; Thonhauser, Timo; Chabal, Yves J.; Zaworotko, Michael J.","Modulation of Water Vapor Sorption by a Fourth-Generation Metal-Organic Material with a Rigid Framework and Self-Switching Pores.","Journal of the American Chemical Society","2018","140","39","12545","12552","10.1021/jacs.8b07290","","","1.54178","CuKα","","0.0625","0.0505","","","0.1092","0.117","","","","","","1.03","","","","has coordinates,has disorder","242771","2020-10-21","18:00:00",""
"4132898","21.588","0.0013","21.588","0.0013","41.146","0.003","90","","90","","120","","16606.7","1.9","296","2","296","2","","","","","","","","5","P 32 1 2","P 32 2 (0 0 2)","153","","","","- C6 In35 N4 O8 S48 -","- C6 In35 N4 O8 S48 -","- C18 In105 N12 O24 S144 -","3","0.5","","Yang, Huajun; Zhang, Jiaxu; Luo, Min; Wang, Wei; Lin, Haiping; Li, Youyong; Li, Dongsheng; Feng, Pingyun; Wu, Tao","The Largest Supertetrahedral Oxychalcogenide Nanocluster and Its Unique Assembly.","Journal of the American Chemical Society","2018","140","36","11189","11192","10.1021/jacs.8b07349","","","0.71073","MoKα","","0.0461","0.0317","","","0.0703","0.0752","","","","","","0.969","","","","has coordinates","242772","2020-10-21","18:00:00",""
"4132899","24.8037","0.0008","24.8037","0.0008","44.986","0.003","90","","90","","120","","23968.5","1.9","170","2","170","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C9 In35 N0 O15 S48 -","- C9 In35 O15 S48 -","- C36 In140 O60 S192 -","4","0.166667","","Yang, Huajun; Zhang, Jiaxu; Luo, Min; Wang, Wei; Lin, Haiping; Li, Youyong; Li, Dongsheng; Feng, Pingyun; Wu, Tao","The Largest Supertetrahedral Oxychalcogenide Nanocluster and Its Unique Assembly.","Journal of the American Chemical Society","2018","140","36","11189","11192","10.1021/jacs.8b07349","","","0.71073","MoKα","","0.115","0.0878","","","0.2804","0.3154","","","","","","1.142","","","","has coordinates,has disorder","242773","2020-10-21","18:00:00",""
"4132900","21.5809","0.0019","21.5809","0.0019","41.108","0.004","90","","90","","120","","16580","3","296","2","296","2","","","","","","","","5","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C6 In35 N4 O8 S48 -","- C6 In35 N4 O8 S48 -","- C18 In105 N12 O24 S144 -","3","0.5","","Yang, Huajun; Zhang, Jiaxu; Luo, Min; Wang, Wei; Lin, Haiping; Li, Youyong; Li, Dongsheng; Feng, Pingyun; Wu, Tao","The Largest Supertetrahedral Oxychalcogenide Nanocluster and Its Unique Assembly.","Journal of the American Chemical Society","2018","140","36","11189","11192","10.1021/jacs.8b07349","","","0.71073","MoKα","","0.0557","0.0314","","","0.0824","0.1037","","","","","","0.701","","","","has coordinates","242775","2020-10-21","18:00:00",""
"4132901","25.029","0.002","30.399","0.003","17.1175","0.0017","90","","109.996","0.006","90","","12239","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 In10 N0 O8 S16 -","- C9 In10 O8 S16 -","- C36 In40 O32 S64 -","4","1","","Yang, Huajun; Zhang, Jiaxu; Luo, Min; Wang, Wei; Lin, Haiping; Li, Youyong; Li, Dongsheng; Feng, Pingyun; Wu, Tao","The Largest Supertetrahedral Oxychalcogenide Nanocluster and Its Unique Assembly.","Journal of the American Chemical Society","2018","140","36","11189","11192","10.1021/jacs.8b07349","","","0.71073","MoKα","","0.1579","0.1341","","","0.3145","0.3264","","","","","","1.03","","","","has coordinates","242776","2020-10-21","18:00:00",""
"4132902","37.421","0.003","37.421","0.003","20.6962","0.0017","90","","90","","120","","25099","4","120","2","120","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C9 H3 Fe12 In48 N0 O15 S93 -","- C9 H3 Fe12 In48 O15 S93 -","- C18 H6 Fe24 In96 O30 S186 -","2","0.166667","","Yang, Huajun; Zhang, Jiaxu; Luo, Min; Wang, Wei; Lin, Haiping; Li, Youyong; Li, Dongsheng; Feng, Pingyun; Wu, Tao","The Largest Supertetrahedral Oxychalcogenide Nanocluster and Its Unique Assembly.","Journal of the American Chemical Society","2018","140","36","11189","11192","10.1021/jacs.8b07349","","","0.71073","MoKα","","0.1218","0.0792","","","0.2103","0.2286","","","","","","1.156","","","","has coordinates","242777","2020-10-21","18:00:00",""
"4132903","29.569","0.002","29.569","0.002","54.901","0.008","90","","90","","90","","48001","8","296","2","296","2","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","","","- In136 S216 -","- In136 S216 -","- In272 S432 -","2","0.0625","","Yang, Huajun; Zhang, Jiaxu; Luo, Min; Wang, Wei; Lin, Haiping; Li, Youyong; Li, Dongsheng; Feng, Pingyun; Wu, Tao","The Largest Supertetrahedral Oxychalcogenide Nanocluster and Its Unique Assembly.","Journal of the American Chemical Society","2018","140","36","11189","11192","10.1021/jacs.8b07349","","","0.71073","MoKα","","0.2039","0.1061","","","0.3201","0.4106","","","","","","1.047","","","","has coordinates","242778","2020-10-21","18:00:00",""
"4132904","11.0414","0.0002","11.7274","0.0002","14.0159","0.0003","86.421","0.001","80.895","0.001","62.793","0.001","1593.64","0.05","302","2","302.02","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C68 H76 N12 O12 -","4","2","","Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng","Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.","Journal of the American Chemical Society","2018","140","36","11487","11494","10.1021/jacs.8b07380","","","1.34139","GaKα","","0.0782","0.0532","","","0.1237","0.1435","","","","","","1.051","","","","has coordinates","242779","2020-10-21","18:00:00",""
"4132905","12.4909","0.0008","26.885","0.002","15.9657","0.0013","90","","92.28","0.002","90","","5357.3","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N3 O3 -","- C19 H21 N3 O3 -","- C228 H252 N36 O36 -","12","3","","Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng","Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.","Journal of the American Chemical Society","2018","140","36","11487","11494","10.1021/jacs.8b07380","","","0.71073","MoKα","","0.1387","0.0946","","","0.2572","0.3078","","","","","","0.998","","","","has coordinates,has disorder","242780","2020-10-21","18:00:00",""
"4132906","6.4918","0.0002","15.5506","0.0004","15.7687","0.0005","90","","90","","90","","1591.87","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","","Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng","Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.","Journal of the American Chemical Society","2018","140","36","11487","11494","10.1021/jacs.8b07380","","","0.71073","MoKα","","0.0388","0.0342","","","0.0826","0.0861","","","","","","1.042","","","","has coordinates","242781","2020-10-21","18:00:00",""
"4132907","11.064","0.0005","6.8437","0.0003","11.2124","0.0005","90","","108.073","0.002","90","","807.1","0.06","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C19 H18 N4 O2 -","- C19 H18 N4 O2 -","- C38 H36 N8 O4 -","2","0.5","","Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng","Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.","Journal of the American Chemical Society","2018","140","36","11487","11494","10.1021/jacs.8b07380","","","0.71073","MoKα","","0.0403","0.0368","","","0.0952","0.0984","","","","","","1.108","","","","has coordinates","242782","2020-10-21","18:00:00",""
"4132908","13.695","0.0007","7.7192","0.0004","15.7441","0.0007","90","","103.099","0.002","90","","1621.07","0.14","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C16 H15 F3 N4 O2 -","- C16 H15 F3 N4 O2 -","- C64 H60 F12 N16 O8 -","4","1","","Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng","Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.","Journal of the American Chemical Society","2018","140","36","11487","11494","10.1021/jacs.8b07380","","","0.71073","MoKα","","0.0607","0.0524","","","0.1218","0.13","","","","","","1.022","","","","has coordinates,has disorder","242783","2020-10-21","18:00:00",""
"4132909","16.6835","0.001","13.0751","0.0007","7.3965","0.0005","90","","105.815","0.002","90","","1552.39","0.16","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H15 Br N4 O2 -","- C15 H15 Br N4 O2 -","- C60 H60 Br4 N16 O8 -","4","1","","Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng","Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.","Journal of the American Chemical Society","2018","140","36","11487","11494","10.1021/jacs.8b07380","","","0.71073","MoKα","","0.0438","0.04","","","0.1057","0.1084","","","","","","1.058","","","","has coordinates","242784","2020-10-21","18:00:00",""
"4132910","7.4513","0.0006","12.5611","0.0011","18.4953","0.0015","90","","90","","90","","1731.1","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cl O4 -","- C21 H17 Cl O4 -","- C84 H68 Cl4 O16 -","4","1","","Leth, Lars A.; Næsborg, Line; Reyes-Rodríguez, Gabriel J; Tobiesen, Henriette N.; Iversen, Marc V.; Jørgensen, Karl Anker","Enantioselective Oxidative Coupling of Carboxylic Acids to α-Branched Aldehydes.","Journal of the American Chemical Society","2018","140","40","12687","12690","10.1021/jacs.8b07394","","","0.56086","AgKα","","0.0301","0.0286","","","0.0949","0.0976","","","","","","0.8658","","","","has coordinates","242785","2020-10-21","18:00:00",""
"4132911","9.3825","0.0006","10.3799","0.0006","11.1183","0.0003","76.894","0.004","89.918","0.004","73.255","0.005","1007.51","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Br F3 N2 Ni -","- C22 H19 Br F3 N2 Ni -","- C44 H38 Br2 F6 N4 Ni2 -","2","1","","Shen, Yangyang; Gu, Yiting; Martin, Ruben","sp<sup>3</sup> C-H Arylation and Alkylation Enabled by the Synergy of Triplet Excited Ketones and Nickel Catalysts.","Journal of the American Chemical Society","2018","140","38","12200","12209","10.1021/jacs.8b07405","","","0.7107","MoKα","","0.0777","0.0455","","","0.1031","0.1112","","","","","","0.919","","","","has coordinates","242786","2020-10-21","18:00:00",""
"4132912","18.569","0.005","34.591","0.0015","32.2034","0.0011","90","","90","","90","","20685","6","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C20 H16 N0.5 O8 Zr1.5 -","- C20 H10.5 N0.5 O8 Zr1.5 -","- C320 H168 N8 O128 Zr24 -","16","1","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","","1.54184","CuKα","","0.087","0.0579","","","0.1262","0.1313","","","","","","1.002","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132913","17.7043","0.001","33.0203","0.0013","34.5937","0.0013","90","","90","","90","","20223.5","1.6","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C21 H16 N0.5 O8 Zr1.5 -","- C21 H11 N0.5 O8 Zr1.5 -","- C336 H176 N8 O128 Zr24 -","16","1","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","","1.54184","CuKα","","0.0729","0.0476","","","0.1019","0.104","","","","","","1.075","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132914","19.073","0.003","32.404","0.004","34.125","0.005","90","","90","","90","","21091","5","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C25.25 H16.5 N0.5 O8 Zr1.5 -","- C25.25 H13.5 N0.5 O8 Zr1.5 -","- C404 H216 N8 O128 Zr24 -","16","1","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","","1.54184","CuKα","","0.1411","0.0749","","","0.1627","0.1734","","","","","","1.013","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132915","22.7409","0.0008","30.7669","0.001","32.844","0.0012","90","","90","","90","","22979.9","1.4","100","2","100","","","","","","","","","5","I m m m","-I 2 2","71","","","","- C96 H42 N2 O32 Zr6 -","- C96 H42 N2 O32 Zr6 -","- C384 H168 N8 O128 Zr24 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","1.54184","CuKα","","0.0949","0.0712","","","0.2327","0.2529","","","","","","1.07","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132916","18.9651","0.0006","33.3385","0.0012","33.5366","0.0013","90","","90","","90","","21204.1","1.3","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C26.25 H16 N0.5 O8 Zr1.5 -","- C26.25 H14 N0.5 O8 Zr1.5 -","- C420 H224 N8 O128 Zr24 -","16","1","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","","1.54184","CuKα","","0.0571","0.0414","","","0.104","0.1063","","","","","","1.143","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132917","23.203","0.002","31.023","0.004","33.332","0.003","90","","90","","90","","23993","4","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C102 H52 N2 O32 Zr6 -","- C102 H52 N2 O32 Zr6 -","- C408 H208 N8 O128 Zr24 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","","1.54178","CuKα","","0.1651","0.12","","","0.3001","0.3285","","","","","","1.056","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132918","23.1736","0.0006","31.635","0.0009","32.1726","0.0009","90","","90","","90","","23585.6","1.1","150","2","150.02","","","","","","","","","5","I m m m","-I 2 2","71","","","","- C53 H27 N O16 Zr3 -","- C53 H27 N O16 Zr3 -","- C424 H216 N8 O128 Zr24 -","8","0.5","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","1.54184","CuKα","","0.0824","0.0687","","","0.1987","0.2101","","","","","","1.088","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132919","23.215","0.0008","30.6351","0.0011","33.548","0.0008","90","","90","","90","","23859.1","1.3","100","2","100","","","","","","","","","5","I m m m","-I 2 2","71","","","","- C109 H64 N2 O32 Zr6 -","- C109 H60 N2 O32 Zr6 -","- C436 H240 N8 O128 Zr24 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","1.54184","CuKα","","0.1159","0.0787","","","0.2213","0.2429","","","","","","0.963","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132920","20.8534","0.0009","32.2081","0.0014","33.4473","0.0016","90","","90","","90","","22464.8","1.7","100","2","100","","","","","","","","","5","I m m m","-I 2 2","71","","","","- C105 H54 N4 O32 Zr6 -","- C105 H54 N4 O32 Zr6 -","- C420 H216 N16 O128 Zr24 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","1.54184","CuKα","","0.057","0.0484","","","0.1479","0.154","","","","","","1.111","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132921","21.4248","0.0007","31.7902","0.0011","33.5013","0.0011","90","","90","","90","","22817.7","1.3","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C53.5 H30 N O16 Zr3 -","- C53.5 H28 N O16 Zr3 -","- C428 H224 N8 O128 Zr24 -","8","0.5","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","","1.54184","CuKα","","0.0406","0.0332","","","0.0871","0.0881","","","","","","1.031","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132922","18.7781","0.001","35.2745","0.0008","16.0212","0.0003","90","","90","","90","","10612.3","0.6","173","2","173","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C10 H5.5 N0 O4.5 Zr0.75 -","- C10 H5.5 O4.5 Zr0.75 -","- C160 H88 O72 Zr12 -","16","1","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","","1.54184","CuKα","","0.0507","0.0452","","","0.1283","0.1308","","","","","","1.002","","","","has coordinates","242788","2020-10-21","18:00:00",""
"4132923","21.531","0.003","35.053","0.004","15.0898","0.0017","90","","90","","90","","11389","2","100","2","100","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C88 H44 O36 Zr6 -","- C88 H44 O36 Zr6 -","- C176 H88 O72 Zr12 -","2","0.125","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","0.71073","MoKα","","0.0941","0.0758","","","0.2164","0.2316","","","","","","1.052","","","","has coordinates","242788","2020-10-21","18:00:00",""
"4132924","23.1272","0.0007","34.0179","0.001","15.0243","0.0005","90","","90","","90","","11820.2","0.6","100","2","100.15","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C50 H24 O18 Zr3 -","- C50 H24 O18 Zr3 -","- C200 H96 O72 Zr12 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","1.54184","CuKα","","0.0829","0.0745","","","0.2034","0.2164","","","","","","1.087","","","","has coordinates","242788","2020-10-21","18:00:00",""
"4132925","23.1663","0.0006","34.0796","0.0008","14.9174","0.0004","90","","90","","90","","11777.3","0.5","100","2","100.01","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C54 H30 O18 Zr3 -","- C54 H28 O18 Zr3 -","- C216 H112 O72 Zr12 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","1.54184","CuKα","","0.08","0.0716","","","0.209","0.2177","","","","","","1.073","","","","has coordinates","242788","2020-10-21","18:00:00",""
"4132926","11.101","0.004","12.844","0.004","21.787","0.007","101.462","0.014","99.26","0.009","93.809","0.011","2989.2","1.7","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C71 H78 O2 Zr -","- C71 H78 O2 Zr -","- C142 H156 O4 Zr2 -","2","1","","Low, Choon Heng; Rosenberg, Jeffrey N.; Lopez, Marco A.; Agapie, Theodor","Oxidative Coupling with Zr(IV) Supported by a Noninnocent Anthracene-Based Ligand: Application to the Catalytic Cotrimerization of Alkynes and Nitriles to Pyrimidines.","Journal of the American Chemical Society","2018","140","38","11906","11910","10.1021/jacs.8b07418","","","0.71073","MoKα","","0.047","0.0396","","","0.099","0.103","","","","","","1.057","","","","has coordinates,has disorder","242789","2020-10-21","18:00:00",""
"4132927","12.4092","0.0006","12.775","0.0008","20.5948","0.0017","93.281","0.003","103.293","0.004","99.373","0.003","3119.7","0.4","100","2","99.98","","","","","","","","","4","P -1","-P 1","2","","","","- C72.44 H93.74 O6.57 Zr -","- C72.437 H93.526 O6.563 Zr -","- C144.874 H187.052 O13.126 Zr2 -","2","1","","Low, Choon Heng; Rosenberg, Jeffrey N.; Lopez, Marco A.; Agapie, Theodor","Oxidative Coupling with Zr(IV) Supported by a Noninnocent Anthracene-Based Ligand: Application to the Catalytic Cotrimerization of Alkynes and Nitriles to Pyrimidines.","Journal of the American Chemical Society","2018","140","38","11906","11910","10.1021/jacs.8b07418","","","0.71073","MoKα","","0.0671","0.0423","","","0.0902","0.0986","","","","","","1.038","","","","has coordinates,has disorder","242789","2020-10-21","18:00:00",""
"4132928","12.35","0.002","12.845","0.002","27.404","0.004","78.961","0.007","80.374","0.005","63.052","0.012","3787.4","1.1","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C92.42 H96.49 O3 Zr -","- C92.422 H96.493 O3 Zr -","- C184.844 H192.986 O6 Zr2 -","2","1","","Low, Choon Heng; Rosenberg, Jeffrey N.; Lopez, Marco A.; Agapie, Theodor","Oxidative Coupling with Zr(IV) Supported by a Noninnocent Anthracene-Based Ligand: Application to the Catalytic Cotrimerization of Alkynes and Nitriles to Pyrimidines.","Journal of the American Chemical Society","2018","140","38","11906","11910","10.1021/jacs.8b07418","","","0.71073","MoKα","","0.0749","0.0661","","","0.1712","0.1768","","","","","","1.147","","","","has coordinates,has disorder","242789","2020-10-21","18:00:00",""
"4132929","23.2475","0.0004","22.7475","0.0004","28.3112","0.0005","90","","91.6402","0.0007","90","","14965.5","0.5","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C140 H82 B3 Cl4 F72 Pd13 -","- C140 H82 B3 Cl4 F72 Pd13 -","- C560 H328 B12 Cl16 F288 Pd52 -","4","1","","Teramoto, Masahiro; Iwata, Kosuke; Yamaura, Hiroshige; Kurashima, Kenta; Miyazawa, Koshi; Kurashige, Yuki; Yamamoto, Koji; Murahashi, Tetsuro","Three-Dimensional Sandwich Nanocubes Composed of 13-Atom Palladium Core and Hexakis-Carbocycle Shell.","Journal of the American Chemical Society","2018","140","40","12682","12686","10.1021/jacs.8b07430","","","0.71075","MoKα","","0.0646","0.0462","","","0.1275","0.1385","","","","","","1.099","","","","has coordinates","242790","2020-10-21","18:00:00",""
"4132930","23.2659","0.0007","18.4382","0.0005","24.9602","0.0007","90","","93.4714","0.0008","90","","10687.8","0.5","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C107 H64 B2 Cl2 F48 Pd13 -","- C106 H66 B2 F48 Pd13 -","- C424 H264 B8 F192 Pd52 -","4","0.5","","Teramoto, Masahiro; Iwata, Kosuke; Yamaura, Hiroshige; Kurashima, Kenta; Miyazawa, Koshi; Kurashige, Yuki; Yamamoto, Koji; Murahashi, Tetsuro","Three-Dimensional Sandwich Nanocubes Composed of 13-Atom Palladium Core and Hexakis-Carbocycle Shell.","Journal of the American Chemical Society","2018","140","40","12682","12686","10.1021/jacs.8b07430","","","0.71075","MoKα","","0.1213","0.0944","","","0.2439","0.2669","","","","","","1.117","","","","has coordinates","242791","2020-10-21","18:00:00",""
"4132931","5.5448","0.0011","10.37","0.002","37.244","0.008","90","","90","","90","","2141.5","0.8","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Br F3 N4 O3 S -","- C19 H16 Br F3 N4 O3 S -","- C76 H64 Br4 F12 N16 O12 S4 -","4","1","","Fu, Liang; Zhou, Song; Wan, Xiaolong; Chen, Pinhong; Liu, Guosheng","Enantioselective Trifluoromethylalkynylation of Alkenes via Copper-Catalyzed Radical Relay.","Journal of the American Chemical Society","2018","140","35","10965","10969","10.1021/jacs.8b07436","","","0.71073","MoKα","","0.112","0.0586","","","0.1472","0.1749","","","","","","1.014","","","","has coordinates","242792","2020-10-21","18:00:00",""
"4132932","16.4682","0.0014","12.3313","0.001","12.8238","0.001","90","","92.629","0.004","90","","2601.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl2 Fe N6 O8 -","- C22 H24 Cl2 Fe N6 O8 -","- C88 H96 Cl8 Fe4 N24 O32 -","4","1","","Wegeberg, Christina; Fernández-Alvarez, Víctor M; de Aguirre, Adiran; Frandsen, Cathrine; Browne, Wesley R.; Maseras, Feliu; McKenzie, Christine J.","Photoinduced O<sub>2</sub>-Dependent Stepwise Oxidative Deglycination of a Nonheme Iron(III) Complex.","Journal of the American Chemical Society","2018","140","43","14150","14160","10.1021/jacs.8b07455","","","0.71073","MoKα","","0.0969","0.0579","","","0.1247","0.1385","","","","","","1.035","","","","has coordinates,has disorder","242793","2020-10-21","18:00:00",""
"4132933","13.3863","0.0003","17.7438","0.0004","40.7345","0.0013","90","","90","","90","","9675.4","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Fe(SBPy3)Zn(tpena)](ClO4)6(H2O)3","","","- C42 H45 Cl3 Fe N10 O15.5 Zn -","- C42 H45 Cl3 Fe N10 O15.5 Zn -","- C336 H360 Cl24 Fe8 N80 O124 Zn8 -","8","2","","Wegeberg, Christina; Fernández-Alvarez, Víctor M; de Aguirre, Adiran; Frandsen, Cathrine; Browne, Wesley R.; Maseras, Feliu; McKenzie, Christine J.","Photoinduced O<sub>2</sub>-Dependent Stepwise Oxidative Deglycination of a Nonheme Iron(III) Complex.","Journal of the American Chemical Society","2018","140","43","14150","14160","10.1021/jacs.8b07455","","","1.54184","CuKα","","0.0819","0.0765","","","0.184","0.1885","","","","","","1.059","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4132934","9.9843","0.0007","12.6207","0.0007","16.1903","0.0017","90","","90","","90","","2040.1","0.3","295","2","295","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C4 H18 Ga2 N2 O S7 Sb2 -","- C4 H18 Ga2 N2 O S7 Sb2 -","- C16 H72 Ga8 N8 O4 S28 Sb8 -","4","1","","Feng, Mei-Ling; Sarma, Debajit; Gao, Yu-Jie; Qi, Xing-Hui; Li, Wei-An; Huang, Xiao-Ying; Kanatzidis, Mercouri G.","Efficient Removal of [UO<sub>2</sub>]<sup>2+</sup>, Cs<sup>+</sup>, and Sr<sup>2+</sup> Ions by Radiation-Resistant Gallium Thioantimonates.","Journal of the American Chemical Society","2018","140","35","11133","11140","10.1021/jacs.8b07457","","","0.71073","MoKα","","0.0652","0.0527","","","0.112","0.1182","","","","","","1.007","","","","has coordinates","242795","2020-10-21","18:00:00",""
"4132935","11.7107","0.0002","11.7107","0.0002","34.3827","0.0017","90","","90","","90","","4715.3","0.3","295","2","295","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C8 H26 Ga2 N2 O S7 Sb2 -","- C8 H24 Ga2 N2 O S7 Sb2 -","- C64 H192 Ga16 N16 O8 S56 Sb16 -","8","0.5","","Feng, Mei-Ling; Sarma, Debajit; Gao, Yu-Jie; Qi, Xing-Hui; Li, Wei-An; Huang, Xiao-Ying; Kanatzidis, Mercouri G.","Efficient Removal of [UO<sub>2</sub>]<sup>2+</sup>, Cs<sup>+</sup>, and Sr<sup>2+</sup> Ions by Radiation-Resistant Gallium Thioantimonates.","Journal of the American Chemical Society","2018","140","35","11133","11140","10.1021/jacs.8b07457","","","0.71073","MoKα","","0.1025","0.064","","","0.1264","0.1432","","","","","","1.01","","","","has coordinates,has disorder","242796","2020-10-21","18:00:00",""
"4132936","52.809","0.011","37.841","0.008","55.765","0.011","90","","107.03","0.03","90","","106551","4","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C840.6 H951.3 B264 Cd13 F6 N125.3 O56 Rh12 S2 -","- C816.6 H936.21 B276 Cd13 F6 N125.3 O56 Rh12 S2 -","- C3266.4 H3744.84 B1104 Cd52 F24 N501.2 O224 Rh48 S8 -","4","0.5","","Rizzuto, Felix J.; Ramsay, William J.; Nitschke, Jonathan R.","Otherwise Unstable Structures Self-Assemble in the Cavities of Cuboctahedral Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11502","11509","10.1021/jacs.8b07494","","","0.6889","Synchrotron","","0.1419","0.1161","","","0.3411","0.3745","","","","","","1.122","","","","has coordinates,has disorder","242797","2020-10-21","18:00:00",""
"4132937","37.6891","0.0015","37.6891","0.0015","37.6891","0.0015","90","","90","","90","","53536","4","180","2","180","2","","","","","","","","8","P n -3 :2","-P 2ab 2bc 3","201","","","","- C600 H396 Cd12 F72 N84 O120 Rh12 S24 -","- C576 H396 Cd12 N84 O48 Rh12 -","- C1152 H792 Cd24 N168 O96 Rh24 -","2","0.0833333","","Rizzuto, Felix J.; Ramsay, William J.; Nitschke, Jonathan R.","Otherwise Unstable Structures Self-Assemble in the Cavities of Cuboctahedral Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11502","11509","10.1021/jacs.8b07494","","","1.54178","CuKα","","0.158","0.1231","","","0.3272","0.3559","","","","","","1.083","","","","has coordinates","242799","2020-10-21","18:00:00",""
"4132938","8.2945","0.0017","16.449","0.004","18.288","0.004","90","","90","","90","","2495.1","1","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 B N3 O3 S -","- C24 H34 B N3 O3 S -","- C96 H136 B4 N12 O12 S4 -","4","1","","Hayama, Noboru; Kuramoto, Ryuta; Földes, Tamás; Nishibayashi, Kazuya; Kobayashi, Yusuke; Pápai, Imre; Takemoto, Yoshiji","Mechanistic Insight into Asymmetric Hetero-Michael Addition of α,β-Unsaturated Carboxylic Acids Catalyzed by Multifunctional Thioureas.","Journal of the American Chemical Society","2018","140","38","12216","12225","10.1021/jacs.8b07511","","","1.54187","CuKα","","","0.0431","","","","0.1051","","","","","","2.021","","","","has coordinates","242801","2020-10-21","18:00:00",""
"4132939","19.161","0.003","34.02","0.005","14.927","0.002","90","","90","","90","","9730","2","230","","230","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C48 H56 Mo6 O64.5 -","- C48 H56 Mo6 O64.5 -","- C192 H224 Mo24 O258 -","4","1","","Falaise, Clément; Moussawi, Mhamad Aly; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim N.; Haouas, Mohamed; Cadot, Emmanuel","Probing Dynamic Library of Metal-Oxo Building Blocks with γ-Cyclodextrin.","Journal of the American Chemical Society","2018","140","36","11198","11201","10.1021/jacs.8b07525","","x-ray","0.71073","MoKα","","0.045","0.0401","","","0.1111","0.1144","","","","","","1.043","","","","has coordinates","242802","2020-10-21","18:00:00",""
"4132940","19.19","0.002","33.973","0.004","14.9308","0.0018","90","","90","","90","","9734","1.9","200","2","200","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C48 H56 O72.5 W6 -","- C48 H56 O72.5 W6 -","- C192 H224 O290 W24 -","4","1","","Falaise, Clément; Moussawi, Mhamad Aly; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim N.; Haouas, Mohamed; Cadot, Emmanuel","Probing Dynamic Library of Metal-Oxo Building Blocks with γ-Cyclodextrin.","Journal of the American Chemical Society","2018","140","36","11198","11201","10.1021/jacs.8b07525","","","0.71073","MoKα","","0.0387","0.0351","","","0.084","0.0863","","","","","","1.046","","","","has coordinates","242803","2020-10-21","18:00:00",""
"4132941","10.2116","0.0003","17.9533","0.0005","10.9656","0.0004","90","","110.432","0.004","90","","1883.87","0.11","105","7","105","7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br Cl O2 -","- C22 H16 Br Cl O2 -","- C88 H64 Br4 Cl4 O8 -","4","1","","Liu, Wenbin; Ren, Zhi; Bosse, Aaron T.; Liao, Kuangbiao; Goldstein, Elizabeth L.; Bacsa, John; Musaev, Djamaladdin G.; Stoltz, Brian M.; Davies, Huw M. L.","Catalyst-Controlled Selective Functionalization of Unactivated C-H Bonds in the Presence of Electronically Activated C-H Bonds.","Journal of the American Chemical Society","2018","140","38","12247","12255","10.1021/jacs.8b07534","","x-ray","0.71073","MoKα","","0.0596","0.0487","","","0.1189","0.1239","","","","","","1.034","","","","has coordinates,has disorder","242804","2020-10-21","18:00:00",""
"4132942","8.9198","0.0001","14.4186","0.0001","29.7333","0.0002","90","","90","","90","","3824.03","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S)-1-(5-bromo-2-chlorophenyl)-2,2-diphenylcyclopropanecarboxylic acid","","- C22 H16 Br Cl O2 -","- C22 H16 Br Cl O2 -","- C176 H128 Br8 Cl8 O16 -","8","2","","Liu, Wenbin; Ren, Zhi; Bosse, Aaron T.; Liao, Kuangbiao; Goldstein, Elizabeth L.; Bacsa, John; Musaev, Djamaladdin G.; Stoltz, Brian M.; Davies, Huw M. L.","Catalyst-Controlled Selective Functionalization of Unactivated C-H Bonds in the Presence of Electronically Activated C-H Bonds.","Journal of the American Chemical Society","2018","140","38","12247","12255","10.1021/jacs.8b07534","","x-ray","1.54184","CuKα","","0.0253","0.0242","","","0.0618","0.0621","","","","","","1.057","","","","has coordinates,has disorder","242805","2020-10-21","18:00:00",""
"4132943","25.1525","0.0004","5.53398","0.00004","27.2474","0.0004","90","","117.465","0.0019","90","","3365.19","0.1","100","2","100","2","","","","","","","","4","P 1 2 1","P 2y","3","","","","- C34 H42 F6 O4 -","- C34 H42 F6 O4 -","- C136 H168 F24 O16 -","4","2","","Liu, Wenbin; Ren, Zhi; Bosse, Aaron T.; Liao, Kuangbiao; Goldstein, Elizabeth L.; Bacsa, John; Musaev, Djamaladdin G.; Stoltz, Brian M.; Davies, Huw M. L.","Catalyst-Controlled Selective Functionalization of Unactivated C-H Bonds in the Presence of Electronically Activated C-H Bonds.","Journal of the American Chemical Society","2018","140","38","12247","12255","10.1021/jacs.8b07534","","x-ray","1.54184","CuKα","","0.0412","0.0363","","","0.0853","0.0885","","","","","","0.985","","","","has coordinates","242806","2020-10-21","18:00:00",""
"4132944","21.469","0.0003","17.1974","0.0003","29.1637","0.0004","90","","106.965","0.002","90","","10299","0.3","100.3","0.5","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C182 H131 Br8 Cl8 N3 O17 Rh4 -","- C182 H131 Br8 Cl8 N3 O17 Rh4 -","- C364 H262 Br16 Cl16 N6 O34 Rh8 -","2","1","","Liu, Wenbin; Ren, Zhi; Bosse, Aaron T.; Liao, Kuangbiao; Goldstein, Elizabeth L.; Bacsa, John; Musaev, Djamaladdin G.; Stoltz, Brian M.; Davies, Huw M. L.","Catalyst-Controlled Selective Functionalization of Unactivated C-H Bonds in the Presence of Electronically Activated C-H Bonds.","Journal of the American Chemical Society","2018","140","38","12247","12255","10.1021/jacs.8b07534","","x-ray","1.54184","CuKα","","0.0935","0.0813","","","0.2229","0.2353","","","","","","1.079","","","","has coordinates,has disorder","242807","2020-10-21","18:00:00",""
"4132945","20.4695","0.0006","20.4695","0.0006","19.2209","0.0008","90","","90","","90","","8053.6","0.5","100","2","100","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C88 H64 Br4 Cl4 O10 Rh2 -","- C88 H60 Br4 Cl4 O8 Rh2 -","- C352 H240 Br16 Cl16 O32 Rh8 -","4","0.5","","Liu, Wenbin; Ren, Zhi; Bosse, Aaron T.; Liao, Kuangbiao; Goldstein, Elizabeth L.; Bacsa, John; Musaev, Djamaladdin G.; Stoltz, Brian M.; Davies, Huw M. L.","Catalyst-Controlled Selective Functionalization of Unactivated C-H Bonds in the Presence of Electronically Activated C-H Bonds.","Journal of the American Chemical Society","2018","140","38","12247","12255","10.1021/jacs.8b07534","","x-ray","0.71073","MoKα","","0.0938","0.0611","","","0.1166","0.1273","","","","","","1.027","","","","has coordinates","242808","2020-10-21","18:00:00",""
"4132946","12.2343","0.0005","21.2749","0.0008","13.2088","0.0005","90","","104.038","0.001","90","","3335.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Fe N3 O2 -","- C36 H48 Fe N3 O2 -","- C144 H192 Fe4 N12 O8 -","4","1","","Rummelt, Stephan M.; Zhong, Hongyu; Korobkov, Ilia; Chirik, Paul J.","Iron-Mediated Coupling of Carbon Dioxide and Ethylene: Macrocyclic Metallalactones Enable Access to Various Carboxylates.","Journal of the American Chemical Society","2018","140","37","11589","11593","10.1021/jacs.8b07558","","","0.71073","MoKα","","0.0556","0.0439","","","0.1111","0.1233","","","","","","1.08","","","","has coordinates","242809","2020-10-21","18:00:00",""
"4132947","5.761","0.0007","11.0868","0.0013","14.5326","0.0013","90","","94.069","0.007","90","","925.87","0.18","297","","297","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20.83 H12 Cu D2.48 N2 O4 -","- C20.8264 H12 Cu D2.4792 N2 O4 -","- C41.6528 H24 Cu2 D4.9584 N4 O8 -","2","0.5","","Lin, Rui-Biao; Wu, Hui; Li, Libo; Tang, Xiao-Liang; Li, Zhiqiang; Gao, Junkuo; Cui, Hui; Zhou, Wei; Chen, Banglin","Boosting Ethane/Ethylene Separation within Isoreticular Ultramicroporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","40","12940","12946","10.1021/jacs.8b07563","powder diffraction","neutron","2.0774","","","","","","","","","0.09475","","1.07","","","","","","","has coordinates","242810","2020-10-21","18:00:00",""
"4132948","5.8065","0.0007","11.1456","0.0011","14.5188","0.0011","90","","94.423","0.007","90","","936.81","0.16","297","","297","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21.33 H12 Cu D3.99 N2 O4 -","- C21.3316 H12 Cu D3.9948 N2 O4 -","- C42.6632 H24 Cu2 D7.9896 N4 O8 -","2","0.5","","Lin, Rui-Biao; Wu, Hui; Li, Libo; Tang, Xiao-Liang; Li, Zhiqiang; Gao, Junkuo; Cui, Hui; Zhou, Wei; Chen, Banglin","Boosting Ethane/Ethylene Separation within Isoreticular Ultramicroporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","40","12940","12946","10.1021/jacs.8b07563","powder diffraction","neutron","2.0774","","","","","","","","","0.09004","","1.06","","","","","","","has coordinates","242810","2020-10-21","18:00:00",""
"4132949","5.6951","0.0005","10.9729","0.0013","14.5655","0.0012","90","","93.64","0.007","90","","908.39","0.15","297","","297","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20.31 H12 Cu D0.62 N2 O4 -","- C20.308 H12 Cu D0.616 N2 O4 -","- C40.616 H24 Cu2 D1.232 N4 O8 -","2","0.5","","Lin, Rui-Biao; Wu, Hui; Li, Libo; Tang, Xiao-Liang; Li, Zhiqiang; Gao, Junkuo; Cui, Hui; Zhou, Wei; Chen, Banglin","Boosting Ethane/Ethylene Separation within Isoreticular Ultramicroporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","40","12940","12946","10.1021/jacs.8b07563","powder diffraction","neutron","2.0774","","","","","","","","","0.07449","","0.99","","","","","","","has coordinates","242810","2020-10-21","18:00:00",""
"4132950","5.6674","0.0005","10.9072","0.0012","14.5876","0.0011","90","","93.491","0.007","90","","900.07","0.14","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Cu N2 O4 -","- C20 H12 Cu N2 O4 -","- C40 H24 Cu2 N4 O8 -","2","0.5","","Lin, Rui-Biao; Wu, Hui; Li, Libo; Tang, Xiao-Liang; Li, Zhiqiang; Gao, Junkuo; Cui, Hui; Zhou, Wei; Chen, Banglin","Boosting Ethane/Ethylene Separation within Isoreticular Ultramicroporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","40","12940","12946","10.1021/jacs.8b07563","powder diffraction","neutron","2.0774","","","","","","","","","0.09172","","1","","","","","","","has coordinates","242810","2020-10-21","18:00:00",""
"4132951","12.296","0.002","14.074","0.003","23.151","0.004","101.373","0.002","90.809","0.002","110.821","0.002","3655.7","1.2","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H79 Co2 N5 O23 Zn2 -","- C71 H73 Co2 N5 O23 Zn2 -","- C142 H146 Co4 N10 O46 Zn4 -","2","1","","Rao, Koya Prabhakara; Higuchi, Masakazu; Suryachandram, Jettiboina; Kitagawa, Susumu","Temperature-Stable Compelled Composite Superhydrophobic Porous Coordination Polymers Achieved via an Unattainable de Novo Synthetic Method.","Journal of the American Chemical Society","2018","140","42","13786","13792","10.1021/jacs.8b07577","","","0.71073","MoKα","","0.0876","0.064","","","0.1638","0.1877","","","","","","1.063","","","","has coordinates","242811","2020-10-21","18:00:00",""
"4132952","12.27","0.003","14.116","0.004","23.055","0.006","101.594","0.005","90.371","0.004","110.5","0.003","3651.1","1.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H79 N5 Ni2 O23 Zn2 -","- C71 H73 N5 Ni2 O23 Zn2 -","- C142 H146 N10 Ni4 O46 Zn4 -","2","1","","Rao, Koya Prabhakara; Higuchi, Masakazu; Suryachandram, Jettiboina; Kitagawa, Susumu","Temperature-Stable Compelled Composite Superhydrophobic Porous Coordination Polymers Achieved via an Unattainable de Novo Synthetic Method.","Journal of the American Chemical Society","2018","140","42","13786","13792","10.1021/jacs.8b07577","","","0.71073","MoKα","","0.1674","0.1063","","","0.2275","0.2647","","","","","","1.162","","","","has coordinates","242812","2020-10-21","18:00:00",""
"4132953","12.911","0.003","13.862","0.003","13.052","0.003","90","","112.921","0.002","90","","2151.5","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cu2 N3 O7 -","- C16 H19 Cu2 N3 O7 -","- C64 H76 Cu8 N12 O28 -","4","1","","Jiang, Jingjing; Lu, Zhiyong; Zhang, Mingxing; Duan, Jingui; Zhang, Wenwei; Pan, Yi; Bai, Junfeng","Higher Symmetry Multinuclear Clusters of Metal-Organic Frameworks for Highly Selective CO<sub>2</sub> Capture.","Journal of the American Chemical Society","2018","140","51","17825","17829","10.1021/jacs.8b07589","","","0.71073","MoKα","","0.1264","0.1242","","","0.3139","0.3152","","","","","","1.149","","","","has coordinates","242813","2020-10-21","18:00:00",""
"4132954","11.684","0.001","12.866","0.0012","14.0116","0.0012","90","","90","","90","","2106.3","0.3","296","2","296","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C24 H16 Cl4 Cu5 N4 O9 -","- C24 H16 Cl4 Cu5 N4 O9 -","- C48 H32 Cl8 Cu10 N8 O18 -","2","0.25","","Jiang, Jingjing; Lu, Zhiyong; Zhang, Mingxing; Duan, Jingui; Zhang, Wenwei; Pan, Yi; Bai, Junfeng","Higher Symmetry Multinuclear Clusters of Metal-Organic Frameworks for Highly Selective CO<sub>2</sub> Capture.","Journal of the American Chemical Society","2018","140","51","17825","17829","10.1021/jacs.8b07589","","","0.71073","MoKα","","0.0161","0.0157","","","0.0447","0.0453","","","","","","1.096","","","","has coordinates","242814","2020-10-21","18:00:00",""
"4132955","8.2576","0.0004","22.2625","0.001","17.3321","0.001","90","","90.025","0.004","90","","3186.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C144 H128 N16 O32 -","8","2","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","1.54178","CuKα","","0.1151","0.0744","","","0.1983","0.2287","","","","","","1.019","","","","has coordinates","242815","2020-10-21","18:00:00",""
"4132956","10.4958","0.0017","9.1991","0.0015","19.482","0.003","90","","97.6635","0.0019","90","","1864.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C84 H88 N8 O16 -","4","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","0.71073","MoKα","","0.0635","0.05","","","0.1325","0.1477","","","","","","1.064","","","","has coordinates","242816","2020-10-21","18:00:00",""
"4132957","8.5136","0.0008","10.2478","0.001","17.2085","0.0017","90","","90.122","0.001","90","","1501.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C72 H64 N8 O16 -","4","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","0.71073","MoKα","","0.0545","0.0404","","","0.1019","0.1133","","","","","","1.043","","","","has coordinates","242817","2020-10-21","18:00:00",""
"4132958","11.1866","0.0003","21.5051","0.0005","33.2328","0.0008","90","","90","","90","","7994.8","0.3","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C352 H384 N32 O64 -","16","2","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","","","","0.122","","","","","","","","","","","","","","","has coordinates","242818","2020-10-21","18:00:00",""
"4132959","10.6043","0.0003","21.8901","0.0007","32.5434","0.0008","90","","90","","90","","7554.3","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C336 H352 N32 O64 -","16","2","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","1.54178","CuKα","","0.1536","0.0676","","","0.1474","0.1894","","","","","","0.996","","","","has coordinates","242819","2020-10-21","18:00:00",""
"4132960","9.4897","0.0015","9.7609","0.0015","11.1738","0.0017","104.546","0.002","101.764","0.002","96.889","0.002","964.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C44 H48 N4 O8 -","2","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","0.71073","MoKα","","0.0844","0.0465","","","0.1072","0.1272","","","","","","1.032","","","","has coordinates","242820","2020-10-21","18:00:00",""
"4132961","12.418","0.006","8.669","0.004","16.915","0.008","90","","105.261","0.005","90","","1756.7","1.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","0.71073","MoKα","","0.0563","0.0426","","","0.1095","0.1224","","","","","","1.036","","","","has coordinates","242821","2020-10-21","18:00:00",""
"4132962","18.041","0.003","8.9247","0.0017","21.595","0.004","90","","90","","90","","3477","1.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C160 H160 N16 O32 -","8","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","0.71073","MoKα","","0.1091","0.0577","","","0.1367","0.1657","","","","","","1.016","","","","has coordinates,has disorder","242822","2020-10-21","18:00:00",""
"4132963","15.4635","0.0004","4.98269","0.00012","23.2124","0.0006","90","","103.774","0.003","90","","1737.08","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","x-ray","1.54184","CuKα","","0.0914","0.0699","","","0.175","0.1932","","","","","","1.03","","","","has coordinates,has disorder","242823","2020-10-21","18:00:00",""
"4132964","11.122","0.0001","11.03","0.0001","16.3913","0.0002","90","","102.894","0.0005","90","","1960.11","0.03","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C84 H88 N8 O20 -","4","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","1.54178","CuKα","","0.0457","0.0404","","","0.103","0.1073","","","","","","1.044","","","","has coordinates","242824","2020-10-21","18:00:00",""
"4132965","21.8904","0.0004","22.987","0.0004","6.9137","0.0001","90","","90","","90","","3478.94","0.1","173","2","173","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C19.25 H18.75 N2 O4.125 -","- C19.25 H18.75 N2 O4.125 -","- C154 H150 N16 O33 -","8","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","1.54178","CuKα","","0.0679","0.0552","","","0.1633","0.1734","","","","","","1.084","","","","has coordinates","242825","2020-10-21","18:00:00",""
"4132966","9.7573","0.0007","11.8897","0.0008","16.0751","0.0011","82.4","0.002","79.506","0.003","81.035","0.002","1800.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46.44 H28 Cl1.34 D0.44 F3 N O4 -","- C46.4468 H28 Cl1.3404 D0.4468 F3 N O4 -","- C92.8936 H56 Cl2.6808 D0.8936 F6 N2 O8 -","2","1","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.0565","0.0485","","","0.1213","0.126","","","","","","1.064","","","","has coordinates,has disorder","242826","2020-10-21","18:00:00",""
"4132967","10.015","0.0005","11.8686","0.0005","16.0169","0.0008","85.793","0.002","82.542","0.002","81.689","0.002","1865.01","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H28 Br0.5 D2.5 F3 N O3 S -","- C49 H28 Br0.5 D2.5 F3 N O3 S -","- C98 H56 Br D5 F6 N2 O6 S2 -","2","1","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.0649","0.0453","","","0.0986","0.1069","","","","","","1.034","","","","has coordinates,has disorder","242826","2020-10-21","18:00:00",""
"4132968","11.3616","0.0011","11.9741","0.0011","16.8141","0.0015","110.535","0.003","97.936","0.003","94.658","0.003","2100.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H37 Cl2 N O3 S2 -","- C53 H37 Cl2 N O3 S2 -","- C106 H74 Cl4 N2 O6 S4 -","2","1","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.0525","0.0444","","","0.1052","0.1102","","","","","","1.024","","","","has coordinates,has disorder","242826","2020-10-21","18:00:00",""
"4132969","11.3098","0.001","18.9055","0.0013","19.3753","0.0015","90","","100.184","0.003","90","","4077.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H33 N O4 S2 -","- C44 H33 N O4 S2 -","- C176 H132 N4 O16 S8 -","4","1","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.0681","0.0637","","","0.1449","0.1468","","","","","","1.233","","","","has coordinates,has disorder","242826","2020-10-21","18:00:00",""
"4132970","11.0741","0.0008","18.618","0.0011","19.0103","0.0013","90","","94.754","0.002","90","","3906","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H33 N O3 S2 -","- C53 H33 N O3 S2 -","- C212 H132 N4 O12 S8 -","4","1","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.0472","0.0407","","","0.0925","0.0959","","","","","","1.061","","","","has coordinates","242826","2020-10-21","18:00:00",""
"4132971","36.371","0.003","36.371","0.003","9.5002","0.0006","90","","90","","120","","10883.6","1.4","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C33 H23 N O2 S -","- C33 H23 N O2 S -","- C594 H414 N18 O36 S18 -","18","3","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.0726","0.0576","","","0.1355","0.1432","","","","","","1.072","","","","has coordinates","242826","2020-10-21","18:00:00",""
"4132972","36.213","0.002","36.213","0.002","9.4339","0.0006","90","","90","","120","","10714","1.1","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C33 H23 N O3 -","- C33 H23 N O3 -","- C594 H414 N18 O54 -","18","3","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.1172","0.0691","","","0.1514","0.1721","","","","","","1.053","","","","has coordinates","242826","2020-10-21","18:00:00",""
"4132973","10.8932","0.0006","11.5571","0.0006","17.0474","0.0009","78.371","0.001","72.486","0.001","63.695","0.001","1828.89","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H33 N O5 -","- C53 H33 N O5 -","- C106 H66 N2 O10 -","2","1","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","","0.71073","MoKα","","0.0497","0.0413","","","0.1","0.1053","","","","","","1.021","","","","has coordinates","242826","2020-10-21","18:00:00",""
"4132974","15.8387","0.0008","24.154","0.0012","10.684","0.0005","90","","102.962","0.002","90","","3983.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44.81 H30.81 Cl5.44 N O5 -","- C44.8126 H30.8126 Cl5.4378 N O5 -","- C179.25 H123.25 Cl21.7512 N4 O20 -","4","1","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.0458","0.0402","","","0.0934","0.097","","","","","","1.037","","","","has coordinates,has disorder","242826","2020-10-21","18:00:00",""
"4132975","9.9146","0.0006","17.8444","0.0012","12.4027","0.0008","90","","109.094","0.001","90","","2073.6","0.2","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(PEt3)Ni(mu2-O,O-tBuCOO)2]2","","- C32 H66 Ni2 O8 P2 -","- C32 H66 Ni2 O8 P2 -","- C64 H132 Ni4 O16 P4 -","2","0.5","","Beattie, D. Dawson; Grunwald, Anna C.; Perse, Thibaut; Schafer, Laurel L.; Love, Jennifer A.","Understanding Ni(II)-Mediated C(sp<sup>3</sup>)-H Activation: Tertiary Ureas as Model Substrates.","Journal of the American Chemical Society","2018","140","39","12602","12610","10.1021/jacs.8b07708","","","0.71073","MoKα","","0.0375","0.0256","","","0.0599","0.063","","","","","","1.008","","","","has coordinates,has disorder","242827","2020-10-21","18:00:00",""
"4132976","10.7609","0.0005","16.9421","0.0007","28.0175","0.0013","90","","99.602","0.001","90","","5036.4","0.4","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26.5 H38 N3 Ni O P -","- C26.5 H38 N3 Ni O P -","- C212 H304 N24 Ni8 O8 P8 -","8","2","","Beattie, D. Dawson; Grunwald, Anna C.; Perse, Thibaut; Schafer, Laurel L.; Love, Jennifer A.","Understanding Ni(II)-Mediated C(sp<sup>3</sup>)-H Activation: Tertiary Ureas as Model Substrates.","Journal of the American Chemical Society","2018","140","39","12602","12610","10.1021/jacs.8b07708","","x-ray","0.71073","MoKα","","0.079","0.0532","","","0.0954","0.1062","","","","","","1.103","","","","has coordinates","242828","2020-10-21","18:00:00",""
"4132977","27.062","0.002","27.062","0.002","10.3516","0.0011","90","","90","","120","","6565.4","1","90","","90","","","","","","","","","4","R -3 :H","-R 3","148","","(Cy)(Me)N(C=O)N(H)(quinolin-8-yl)","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C306 H378 N54 O18 -","18","1","","Beattie, D. Dawson; Grunwald, Anna C.; Perse, Thibaut; Schafer, Laurel L.; Love, Jennifer A.","Understanding Ni(II)-Mediated C(sp<sup>3</sup>)-H Activation: Tertiary Ureas as Model Substrates.","Journal of the American Chemical Society","2018","140","39","12602","12610","10.1021/jacs.8b07708","","","0.71073","MoKα","","0.045","0.0355","","","0.0867","0.0901","","","","","","1.043","","","","has coordinates","242829","2020-10-21","18:00:00",""
"4132978","39.581","0.006","8.9068","0.0018","8.9084","0.0013","90","","90.047","","90","","3140.6","0.9","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H30 I7 N3 Pb2 -","- C10 H30 I7 N3 Pb2 -","- C40 H120 I28 N12 Pb8 -","4","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.1168","0.0577","","","0.091","0.0981","","","","1.94","1.94","1.53","","","","has coordinates","242830","2020-10-21","18:00:00",""
"4132979","26.918","0.003","8.7853","0.0007","8.7627","0.0009","90","","92.835","0.009","90","","2069.7","0.4","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H24 I4 N2 Pb -","- C9 H24 I4 N2 Pb -","- C36 H96 I16 N8 Pb4 -","4","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.0434","0.0367","","","0.0721","0.0729","","","","2.17","2.17","2.07","","","","has coordinates","242831","2020-10-21","18:00:00",""
"4132980","38.089","0.005","8.9053","0.0018","8.9109","0.0013","90","","90","0.012","90","","3022.5","0.9","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H28 I7 N3 Pb2 -","- C9 H28 I7 N3 Pb2 -","- C36 H112 I28 N12 Pb8 -","4","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.1536","0.0647","","","0.1187","0.1267","","","","2.06","2.06","1.41","","","","has coordinates","242832","2020-10-21","18:00:00",""
"4132981","25.686","0.005","8.9106","0.0013","8.9159","0.0013","90","","100.024","0.0015","90","","2009.5","0.6","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H34 I10 N4 Pb3 -","- C10 H34 I10 N4 Pb3 -","- C20 H68 I20 N8 Pb6 -","2","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.1204","0.0836","","","0.165","0.1705","","","","3.71","3.71","2.98","","","","has coordinates","242833","2020-10-21","18:00:00",""
"4132982","26.4807","0.0009","8.915","0.007","8.9145","0.0008","90","","99.6902","","90","","2074.5","1.6","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H36 I10 N4 Pb3 -","- C11 H36 I10 N4 Pb3 -","- C22 H72 I20 N8 Pb6 -","2","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.081","0.048","","","0.0854","0.0904","","","","1.97","1.97","1.66","","","","has coordinates","242834","2020-10-21","18:00:00",""
"4132983","63.186","0.006","8.9126","0.0005","8.9043","0.0008","90","","90.015","0.008","90","","5014.5","0.7","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H40 I13 N5 Pb4 -","- C11 H40 I13 N5 Pb4 -","- C44 H160 I52 N20 Pb16 -","4","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.1995","0.1224","","","0.2598","0.2744","","","","5.39","5.39","3.8","","","","has coordinates","242835","2020-10-21","18:00:00",""
"4132984","20.1544","0.0003","17.4378","0.0003","8.4225","0.0001","90","","98.0107","0.0008","90","","2931.19","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 B2 Br Co N9 -","- C31 H29 B2 Br Co N9 -","- C124 H116 B8 Br4 Co4 N36 -","4","1","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.0378","0.0332","","","0.0895","0.0927","","","","","","0.964","","","","has coordinates","242836","2020-10-21","18:00:00",""
"4132985","17.3684","0.0003","32.2134","0.0005","17.9799","0.0003","90","","92.556","0.001","90","","10049.7","0.3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 B2 Co F6 N10 O5 S2 -","- C33 H31 B2 Co F6 N10 O5 S2 -","- C264 H248 B16 Co8 F48 N80 O40 S16 -","8","1","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.051","0.0434","","","0.1124","0.1161","","","","","","0.976","","","","has coordinates,has disorder","242837","2020-10-21","18:00:00",""
"4132986","8.1792","0.0011","19.504","0.003","18.065","0.003","90","","90","","90","","2881.9","0.8","174","2","174","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C31 H29 B2 Co N9 -","- C31 H29 B2 Co N9 -","- C124 H116 B8 Co4 N36 -","4","0.5","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.0414","0.037","","","0.0993","0.1035","","","","","","1.164","","","","has coordinates","242838","2020-10-21","18:00:00",""
"4132987","12.8849","0.0002","18.1277","0.0003","15.838","0.0003","90","","90.622","0.001","90","","3699.12","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H60 B4 Li2 N18 -","- C62 H58 B4 Li4 N18 -","- C124 H116 B8 Li8 N36 -","2","0.5","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.1149","0.0903","","","0.2724","0.3038","","","","","","1.046","","","","has coordinates,has disorder","242839","2020-10-21","18:00:00",""
"4132988","13.6686","0.0008","15.0534","0.0008","18.3053","0.001","89.947","0.004","77.865","0.003","86.508","0.003","3675.2","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H58 B4 Co2 N18 O2 -","- C62 H58 B4 Co2 N18 O2 -","- C124 H116 B8 Co4 N36 O4 -","2","1","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.0783","0.0608","","","0.1576","0.1771","","","","","","1.045","","","","has coordinates","242840","2020-10-21","18:00:00",""
"4132989","23.5774","0.0017","14.5959","0.0008","41.157","0.003","90","","90","","90","","14163.5","1.6","173","","173","","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C144 H128 B4 Co2 F12 N20 O14 P4 S4 -","- C144 H128 B4 Co2 F12 N20 O14 P4 S4 -","- C576 H512 B16 Co8 F48 N80 O56 P16 S16 -","4","1","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.1209","0.0872","","","0.2276","0.2676","","","","","","0.979","","","","has coordinates,has disorder","242841","2020-10-21","18:00:00",""
"4132990","11.8764","0.0002","12.0398","0.0002","21.6388","0.0004","82.92","0.001","88.996","0.001","75.524","0.001","2972.76","0.09","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H77 B2 Br2 Co Li2 N9 O6 -","- C55 H77 B2 Br2 Co Li2 N9 O6 -","- C110 H154 B4 Br4 Co2 Li4 N18 O12 -","2","1","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.0449","0.0434","","","0.1249","0.1265","","","","","","1.048","","","","has coordinates","242842","2020-10-21","18:00:00",""
"4132991","11.4399","0.0008","12.8145","0.0007","15.6046","0.0011","66.021","0.004","70.673","0.003","82.425","0.004","1972.4","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H29 B2 Co F6 N10 O4 S2 -","- C33 H29 B2 Co F6 N10 O4 S2 -","- C66 H58 B4 Co2 F12 N20 O8 S4 -","2","1","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","0.71073","MoKα","","0.1112","0.0793","","","0.1468","0.1604","","","","","","1.068","","","","has coordinates","242843","2020-10-21","18:00:00",""
"4132992","7.9741","0.0006","12.0163","0.0009","14.0689","0.0011","76.587","0.001","77.576","0.001","80.26","0.001","1270.46","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(5-fp)RhTFA","","","- C24 H18 F3 N4 O2 Rh -","- C24 H18 F3 N4 O2 Rh -","- C48 H36 F6 N8 O4 Rh2 -","2","1","","Chen, Junqi; Nielsen, Robert J.; Goddard, 3rd, William A; McKeown, Bradley A.; Dickie, Diane A.; Gunnoe, T. Brent","Catalytic Synthesis of Superlinear Alkenyl Arenes Using a Rh(I) Catalyst Supported by a ""Capping Arene"" Ligand: Access to Aerobic Catalysis.","Journal of the American Chemical Society","2018","140","49","17007","17018","10.1021/jacs.8b07728","","","0.71073","MoKα","","0.0514","0.0377","","","0.0907","0.0964","","","","","","1.04","","","","has coordinates","242844","2020-10-21","18:00:00",""
"4132993","14.8756","0.0005","17.3356","0.0005","18.8823","0.0005","84.622","0.002","73.131","0.003","77.478","0.002","4546.5","0.2","105","","105","","","","","","","","","5","P -1","-P 1","2","","PyPbCl_HCN","","- C65 H143 Cl15 N8 Pb4 -","- C65 H143 Cl15 N8 Pb4 -","- C130 H286 Cl30 N16 Pb8 -","2","1","","Zhou, Chenkun; Lin, Haoran; Worku, Michael; Neu, Jennifer; Zhou, Yan; Tian, Yu; Lee, Sujin; Djurovich, Peter; Siegrist, Theo; Ma, Biwu","Blue Emitting Single Crystalline Assembly of Metal Halide Clusters.","Journal of the American Chemical Society","2018","140","41","13181","13184","10.1021/jacs.8b07731","","","0.71073","MoKα","","0.0832","0.07","","0.1952","0.1752","0.1817","","","","","","0.9946","","","","has coordinates","242845","2020-10-21","18:00:00",""
"4132994","10.049","0.004","15.976","0.007","18.86","0.008","90","","90","","90","","3028","2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 F6 Mn N5 O8 S2 -","- C25 H22 F6 Mn N5 O8 S2 -","- C100 H88 F24 Mn4 N20 O32 S8 -","4","1","","Sankaralingam, Muniyandi; Lee, Yong-Min; Karmalkar, Deepika G.; Nam, Wonwoo; Fukuzumi, Shunichi","A Mononuclear Non-heme Manganese(III)-Aqua Complex as a New Active Oxidant in Hydrogen Atom Transfer Reactions.","Journal of the American Chemical Society","2018","140","40","12695","12699","10.1021/jacs.8b07772","","","0.71073","MoKα","","0.0366","0.032","","","0.0697","0.0716","","","","","","1.027","","","","has coordinates","242846","2020-10-21","18:00:00",""
"4132995","42.0383","0.0012","42.0383","0.0012","42.3916","0.0014","90","","90","","120","","64878","3","100","2","100","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C288 H312 Mn24 O96 -","- C288 H312 Mn24 O96 -","- C1728 H1872 Mn144 O576 -","6","0.166667","","Rathnayake, Asanka S.; Fraser, Hector W. L.; Brechin, Euan K.; Dalgarno, Scott J.; Baumeister, Jakob E.; Rungthanaphatsophon, Pokpong; Walensky, Justin R.; Barnes, Charles L.; Atwood, Jerry L.","Oxidation State Distributions Provide Insight into Parameters Directing the Assembly of Metal-Organic Nanocapsules.","Journal of the American Chemical Society","2018","140","40","13022","13027","10.1021/jacs.8b07775","","","1.54178","CuKα","","0.1634","0.1393","","","0.3894","0.458","","","","","","2.179","","","","has coordinates,has disorder","242847","2020-10-21","18:00:00",""
"4132996","42.319","0.0008","42.319","0.0008","43.0661","0.0013","90","","90","","120","","66794","3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C288 H312 Cl8 Mn24 O102 -","- C288 H312 Cl8 Mn24 O102 -","- C1728 H1872 Cl48 Mn144 O612 -","6","0.166667","","Rathnayake, Asanka S.; Fraser, Hector W. L.; Brechin, Euan K.; Dalgarno, Scott J.; Baumeister, Jakob E.; Rungthanaphatsophon, Pokpong; Walensky, Justin R.; Barnes, Charles L.; Atwood, Jerry L.","Oxidation State Distributions Provide Insight into Parameters Directing the Assembly of Metal-Organic Nanocapsules.","Journal of the American Chemical Society","2018","140","40","13022","13027","10.1021/jacs.8b07775","","x-ray","1.54178","CuKα","","0.2219","0.1329","","","0.348","0.4024","","","","","","1.238","","","","has coordinates","242848","2020-10-21","18:00:00",""
"4132997","14.594","0.004","15.377","0.004","15.584","0.004","93.674","0.001","117.541","0.001","117.376","0.003","2578","1.2","173.15","","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C104 H70 N12 -","- C104 H70 N12 -","- C104 H70 N12 -","1","0.5","","Tang, Jian-Hong; Cai, Zhenfeng; Yan, Dong; Tang, Kun; Shao, Jiang-Yang; Zhan, Chuanlang; Wang, Dong; Zhong, Yu-Wu; Wan, Li-Jun; Yao, Jiannian","Molecular Quadripod as a Noncovalent Interfacial Coupling Reagent for Forming Immobilized Coordination Assemblies.","Journal of the American Chemical Society","2018","140","39","12337","12340","10.1021/jacs.8b07777","","","0.71073","MoKα","","0.1201","0.1058","","","0.2978","0.3107","","","","","","1.141","","","","has coordinates","242849","2020-10-21","18:00:00",""
"4132998","6.587","0.002","9.123","0.003","11.052","0.004","76.48","0.03","77.86","0.03","74.261","0.019","613.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H17 B N2 Se2 -","- C9 H17 B N2 Se2 -","- C18 H34 B2 N4 Se4 -","2","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger","A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.","Journal of the American Chemical Society","2018","140","36","11223","11226","10.1021/jacs.8b07829","","","0.71073","MoKα","","0.0241","0.0217","","","0.0551","0.0563","","","","","","1.057","","","","has coordinates","242850","2020-10-21","18:00:00",""
"4132999","9.051","0.0013","9.9167","0.0012","21.724","0.004","90","","90.139","0.007","90","","1949.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 B Mn N2 O2 Te2 -","- C16 H22 B Mn N2 O2 Te2 -","- C64 H88 B4 Mn4 N8 O8 Te8 -","4","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger","A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.","Journal of the American Chemical Society","2018","140","36","11223","11226","10.1021/jacs.8b07829","","","0.71073","MoKα","","0.0168","0.0166","","","0.0382","0.0383","","","","","","1.197","","","","has coordinates","242851","2020-10-21","18:00:00",""
"4133000","12.364","0.003","7.522","0.003","12.85","0.003","90","","109.438","0.01","90","","1127","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 B N2 S -","- C9 H17 B N2 S -","- C36 H68 B4 N8 S4 -","4","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger","A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.","Journal of the American Chemical Society","2018","140","36","11223","11226","10.1021/jacs.8b07829","","","0.71073","MoKα","","0.0459","0.0394","","","0.1053","0.1105","","","","","","1.056","","","","has coordinates","242853","2020-10-21","18:00:00",""
"4133001","8.085","0.002","8.208","0.003","9.845","0.003","108.77","0.02","100.22","0.02","108.1","0.02","559.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 B2 N4 Se2 -","- C18 H34 B2 N4 Se2 -","- C18 H34 B2 N4 Se2 -","1","0.5","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger","A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.","Journal of the American Chemical Society","2018","140","36","11223","11226","10.1021/jacs.8b07829","","","0.71073","MoKα","","0.0549","0.0526","","","0.1699","0.1708","","","","","","1.483","","","","has coordinates","242854","2020-10-21","18:00:00",""
"4133002","12.404","0.007","7.679","0.004","12.8","0.007","90","","108.23","0.04","90","","1158","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 B N2 Se -","- C9 H17 B N2 Se -","- C36 H68 B4 N8 Se4 -","4","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger","A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.","Journal of the American Chemical Society","2018","140","36","11223","11226","10.1021/jacs.8b07829","","","0.71073","MoKα","","0.0559","0.037","","","0.081","0.0877","","","","","","1.031","","","","has coordinates","242855","2020-10-21","18:00:00",""
"4133003","8.0243","0.002","8.053","0.003","9.721","0.004","105.103","0.009","104.95","0.02","106.457","0.018","543","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 B2 N4 S2 -","- C18 H34 B2 N4 S2 -","- C18 H34 B2 N4 S2 -","1","0.5","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger","A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.","Journal of the American Chemical Society","2018","140","36","11223","11226","10.1021/jacs.8b07829","","","0.71073","MoKα","","0.0431","0.0387","","","0.0904","0.0928","","","","","","1.173","","","","has coordinates","242856","2020-10-21","18:00:00",""
"4133004","6.4382","0.002","9.07","0.003","10.891","0.003","75.737","0.008","77.099","0.008","74.734","0.019","586","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H17 B N2 S2 -","- C9 H17 B N2 S2 -","- C18 H34 B2 N4 S4 -","2","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger","A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.","Journal of the American Chemical Society","2018","140","36","11223","11226","10.1021/jacs.8b07829","","","0.71073","MoKα","","0.0306","0.0275","","","0.0664","0.0681","","","","","","1.069","","","","has coordinates","242857","2020-10-21","18:00:00",""
"4133005","26.4448","0.0019","26.4448","0.0019","34.036","0.003","90","","90","","90","","23802","3","150","2","150","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C187 H633 Br12 Gd60 N15 O399 -","- C32 H36 Br12 Gd60 O224 -","- C64 H72 Br24 Gd120 O448 -","2","0.125","","Luo, Xi-Ming; Hu, Zhao-Bo; Lin, Qing-Fang; Cheng, Weiwei; Cao, Jia-Peng; Cui, Chen-Hui; Mei, Hua; Song, You; Xu, Yan","Exploring the Performance Improvement of Magnetocaloric Effect Based Gd-Exclusive Cluster Gd<sub>60</sub>.","Journal of the American Chemical Society","2018","140","36","11219","11222","10.1021/jacs.8b07841","","","0.71073","MoKα","","0.1625","0.098","","","0.2788","0.3201","","","","","","1.108","","","","has coordinates,has disorder","242858","2020-10-21","18:00:00",""
"4133006","11.9001","0.0005","12.2874","0.0006","15.746","0.0007","68.156","0.003","80.248","0.003","72.507","0.003","2033.95","0.17","170","2","170.01","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 B11 N O2 -","- C40 H52 B11 N O2 -","- C80 H104 B22 N2 O4 -","2","1","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","1.34139","GaKα","","0.1179","0.073","","","0.1909","0.2215","","","","","","1.042","","","","has coordinates","242859","2020-10-21","18:00:00",""
"4133007","8.7528","0.0001","9.9635","0.0002","24.541","0.0004","90","","96.176","0.001","90","","2127.76","0.06","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H26 B11 N3 O2 Pd -","- C9 H26 B11 N3 O2 Pd -","- C36 H104 B44 N12 O8 Pd4 -","4","1","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","1.34139","GaKα","","0.0357","0.0322","","","0.0849","0.0876","","","","","","1.087","","","","has coordinates","242860","2020-10-21","18:00:00",""
"4133008","18.1297","0.0009","12.7407","0.0006","23.8742","0.0013","90","","106.874","0.005","90","","5277.2","0.5","120.2","","120.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52.09 H76.48 B11 N O4 -","- C52.1 H76.5 B11 N O4 -","- C208.4 H306 B44 N4 O16 -","4","1","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","0.71073","MoKα","","0.1069","0.0735","","","0.1872","0.2167","","","","","","1.034","","","","has coordinates,has disorder","242861","2020-10-21","18:00:00",""
"4133009","14.629","0.0005","14.9866","0.0005","22.4078","0.0007","90","","90","","90","","4912.7","0.3","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C79 H86 B22 Cl22 N2 -","- C79 H86 B22 Cl22 N2 -","- C158 H172 B44 Cl44 N4 -","2","0.5","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","0.71073","MoKα","","0.0712","0.0609","","","0.16","0.1712","","","","","","1.062","","","","has coordinates,has disorder","242862","2020-10-21","18:00:00",""
"4133010","7.236","0.0003","26.5714","0.0013","26.8768","0.0009","90","","90","","90","","5167.6","0.4","137.1","","137.1","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C45 H59 B11 Br5 N O2 -","- C45 H59 B11 Br5 N O2 -","- C180 H236 B44 Br20 N4 O8 -","4","0.5","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","0.71073","MoKα","","0.0998","0.0835","","","0.1537","0.16","","","","","","1.184","","","","has coordinates,has disorder","242863","2020-10-21","18:00:00",""
"4133011","11.4673","0.0002","16.6842","0.0003","12.3236","0.0002","90","","110.724","0.001","90","","2205.23","0.07","170","2","170.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H62 B11 N O2 -","- C45 H62 B11 N O2 -","- C90 H124 B22 N2 O4 -","2","1","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","1.34139","GaKα","","0.0433","0.0425","","","0.1108","0.1119","","","","","","1.053","","","","has coordinates","242864","2020-10-21","18:00:00",""
"4133012","23.6242","0.0015","19.1081","0.0009","22.3852","0.001","90","","90","","90","","10105","0.9","293","2","293.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H64 B11 N O7 -","- C46 H64 B11 N O7 -","- C368 H512 B88 N8 O56 -","8","1","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","0.71073","MoKα","","0.1287","0.0796","","","0.2146","0.2654","","","","","","1.043","","","","has coordinates,has disorder","242865","2020-10-21","18:00:00",""
"4133013","6.9848","0.0008","14.498","0.001","8.2571","0.0007","90","","90","","90","","836.16","0.13","100","0.1","100","0.1","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C16 H15 N3 O6 U -","- C16 H14.5 N3 O6 U -","- C32 H29 N6 O12 U2 -","2","0.25","","Faizova, Radmila; Scopelliti, Rosario; Chauvin, Anne-Sophie; Mazzanti, Marinella","Synthesis and Characterization of a Water Stable Uranyl(V) Complex.","Journal of the American Chemical Society","2018","140","42","13554","13557","10.1021/jacs.8b07885","","x-ray","1.54184","CuKα","","0.1024","0.1015","","","0.2511","0.2591","","","","","","1.17","","","","has coordinates,has disorder","242866","2020-10-21","18:00:00",""
"4133014","14.332","0.0005","20.4637","0.0007","18.2836","0.0005","90","","90","","90","","5362.3","0.3","140","0.1","140","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C56 H65 Co N7 O6 U -","- C56 H65 Co N7 O6 U -","- C224 H260 Co4 N28 O24 U4 -","4","0.5","","Faizova, Radmila; Scopelliti, Rosario; Chauvin, Anne-Sophie; Mazzanti, Marinella","Synthesis and Characterization of a Water Stable Uranyl(V) Complex.","Journal of the American Chemical Society","2018","140","42","13554","13557","10.1021/jacs.8b07885","","x-ray","1.54184","CuKα","","0.091","0.0856","","","0.219","0.2229","","","","","","1.055","","","","has coordinates,has disorder","242867","2020-10-21","18:00:00",""
"4133015","12.6577","0.0003","23.5758","0.0004","15.4346","0.0003","90","","107.908","0.002","90","","4382.77","0.16","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H51 K N5 O12 U -","- C34 H51 K N5 O12 U -","- C136 H204 K4 N20 O48 U4 -","4","1","","Faizova, Radmila; Scopelliti, Rosario; Chauvin, Anne-Sophie; Mazzanti, Marinella","Synthesis and Characterization of a Water Stable Uranyl(V) Complex.","Journal of the American Chemical Society","2018","140","42","13554","13557","10.1021/jacs.8b07885","","x-ray","0.71073","MoKα","","0.0501","0.0319","","","0.0594","0.0643","","","","","","1.018","","","","has coordinates","242868","2020-10-21","18:00:00",""
"4133016","6.8944","0.0008","11.1491","0.0012","14.7213","0.0015","67.959","0.007","81.512","0.01","82.702","0.01","1034.2","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 D10 N3 O11 U -","- C16 H15 D10 N3 O11 U -","- C32 H30 D20 N6 O22 U2 -","2","1","","Faizova, Radmila; Scopelliti, Rosario; Chauvin, Anne-Sophie; Mazzanti, Marinella","Synthesis and Characterization of a Water Stable Uranyl(V) Complex.","Journal of the American Chemical Society","2018","140","42","13554","13557","10.1021/jacs.8b07885","","","0.71073","MoKα","","0.0474","0.0372","","","0.0801","0.0856","","","","","","1.077","","","","has coordinates","242869","2020-10-21","18:00:00",""
"4133017","10.3525","0.0003","19.8443","0.0005","19.8538","0.0005","84.793","0.002","78.643","0.002","77.371","0.002","3897.26","0.18","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N6 O8 U -","- C32 H30 N6 O8 U -","- C128 H120 N24 O32 U4 -","4","2","","Faizova, Radmila; Scopelliti, Rosario; Chauvin, Anne-Sophie; Mazzanti, Marinella","Synthesis and Characterization of a Water Stable Uranyl(V) Complex.","Journal of the American Chemical Society","2018","140","42","13554","13557","10.1021/jacs.8b07885","","x-ray","1.54184","CuKα","","0.0639","0.0623","","","0.1638","0.1656","","","","","","1.042","","","","has coordinates","242870","2020-10-21","18:00:00",""
"4133018","15.1318","0.0015","9.1148","0.001","4.2826","0.0005","90","","110.435","0.003","90","","553.5","0.1","293","","293","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- C6 Ag5 S6 -","- C6 Ag5 S6 -","- C12 Ag10 S12 -","2","0.25","","Huang, Xing; Li, Haisheng; Tu, Zeyi; Liu, Liyao; Wu, Xiaoyu; Chen, Jie; Liang, Yingying; Zou, Ye; Yi, Yuanping; Sun, Junliang; Xu, Wei; Zhu, Daoben","Highly Conducting Neutral Coordination Polymer with Infinite Two-Dimensional Silver-Sulfur Networks.","Journal of the American Chemical Society","2018","140","45","15153","15156","10.1021/jacs.8b07921","powder diffraction","x-ray","1.54051","CuKα","","0.0597","0.0597","","0.0813","0.0813","","","","5.71","","","","","","","has coordinates","242871","2020-10-21","18:00:00",""
"4133019","7.1834","0.0001","11.0051","0.0002","21.1383","0.0003","90","","97.142","0.001","90","","1658.1","0.04","170","2","170.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H58 O3 Si -","- C34 H58 O3 Si -","- C68 H116 O6 Si2 -","2","1","","Zhang, Hai-Jun; Yin, Liang","Asymmetric Synthesis of α,β-Unsaturated δ-Lactones through Copper(I)-Catalyzed Direct Vinylogous Aldol Reaction.","Journal of the American Chemical Society","2018","140","38","12270","12279","10.1021/jacs.8b07929","","","1.34139","GaKα","","0.0527","0.0426","","","0.0894","0.0956","","","","","","1.087","","","","has coordinates","242872","2020-10-21","18:00:00",""
"4133020","18.1823","0.0004","15.6106","0.0002","17.709","0.0004","90","","117.612","0.003","90","","4453.98","0.19","291.8","0.1","291.8","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H47 B Cl3 F2 N5 -","- C51 H47 B Cl3 F2 N5 -","- C204 H188 B4 Cl12 F8 N20 -","4","1","","Xie, Daguan; Liu, Yang; Rao, Yutao; Kim, Gakhyun; Zhou, Mingbo; Yu, Donghai; Xu, Ling; Yin, Bangshao; Liu, Shubin; Tanaka, Takayuki; Aratani, Naoki; Osuka, Atsuhiro; Liu, Qingyun; Kim, Dongho; Song, Jianxin","meso-Triaryl-Substituted Smaragdyrins: Facile Aromaticity Switching.","Journal of the American Chemical Society","2018","140","48","16553","16559","10.1021/jacs.8b07973","","x-ray","1.54184","CuKα","","0.0883","0.0732","","","0.198","0.21","","","","","","1.051","","","","has coordinates","242873","2020-10-21","18:00:00",""
"4133021","12.02532","0.00019","16.4219","0.0002","43.1429","0.0005","90","","95.3076","0.0013","90","","8483.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C53.5 H49 N5 -","- C53.5 H49 N5 -","- C428 H392 N40 -","8","2","","Xie, Daguan; Liu, Yang; Rao, Yutao; Kim, Gakhyun; Zhou, Mingbo; Yu, Donghai; Xu, Ling; Yin, Bangshao; Liu, Shubin; Tanaka, Takayuki; Aratani, Naoki; Osuka, Atsuhiro; Liu, Qingyun; Kim, Dongho; Song, Jianxin","meso-Triaryl-Substituted Smaragdyrins: Facile Aromaticity Switching.","Journal of the American Chemical Society","2018","140","48","16553","16559","10.1021/jacs.8b07973","","x-ray","1.54184","CuKα","","0.0559","0.0509","","","0.1296","0.1331","","","","","","1.055","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4133022","18.2483","0.0003","15.01136","0.00014","18.489","0.0004","90","","119.446","0.003","90","","4410.46","0.18","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H45 B Cl3 F2 N5 -","- C51 H45 B Cl3 F2 N5 -","- C204 H180 B4 Cl12 F8 N20 -","4","1","","Xie, Daguan; Liu, Yang; Rao, Yutao; Kim, Gakhyun; Zhou, Mingbo; Yu, Donghai; Xu, Ling; Yin, Bangshao; Liu, Shubin; Tanaka, Takayuki; Aratani, Naoki; Osuka, Atsuhiro; Liu, Qingyun; Kim, Dongho; Song, Jianxin","meso-Triaryl-Substituted Smaragdyrins: Facile Aromaticity Switching.","Journal of the American Chemical Society","2018","140","48","16553","16559","10.1021/jacs.8b07973","","x-ray","1.54184","CuKα","","0.0539","0.0504","","","0.129","0.1313","","","","","","1.066","","","","has coordinates","242875","2020-10-21","18:00:00",""
"4133023","29.5594","0.0009","11.4252","0.0002","32.9221","0.0008","90","","90","","90","","11118.5","0.5","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C63 H48 B Cl3 Cu F2 N5 O -","- C63 H48 B Cl3 Cu F2 N5 O -","- C504 H384 B8 Cl24 Cu8 F16 N40 O8 -","8","1","","Xie, Daguan; Liu, Yang; Rao, Yutao; Kim, Gakhyun; Zhou, Mingbo; Yu, Donghai; Xu, Ling; Yin, Bangshao; Liu, Shubin; Tanaka, Takayuki; Aratani, Naoki; Osuka, Atsuhiro; Liu, Qingyun; Kim, Dongho; Song, Jianxin","meso-Triaryl-Substituted Smaragdyrins: Facile Aromaticity Switching.","Journal of the American Chemical Society","2018","140","48","16553","16559","10.1021/jacs.8b07973","","","1.54184","CuKα","","0.1055","0.098","","","0.2528","0.2586","","","","","","1.128","","","","has coordinates,has disorder","242876","2020-10-21","18:00:00",""
"4133024","16.6605","0.0006","12.2075","0.0003","11.3131","0.0004","90","","95.0619","0.0013","90","","2291.92","0.13","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H34 B4 N6 -","- C20 H34 B4 N6 -","- C80 H136 B16 N24 -","4","0.5","","Su, Bochao; Ota, Kei; Xu, Kai; Hirao, Hajime; Kinjo, Rei","Zwitterionic Inorganic Benzene Valence Isomer with σ-Bonding between Two π-Orbitals.","Journal of the American Chemical Society","2018","140","38","11921","11925","10.1021/jacs.8b08025","","","0.71073","MoKα","","0.0979","0.063","","","0.1221","0.1404","","","","","","1.093","","","","has coordinates","242877","2020-10-21","18:00:00",""
"4133025","16.2795","0.0004","17.1593","0.0004","22.3276","0.0006","90.0344","0.0018","90.0987","0.0017","106.28","0.0017","5987","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H188 B8 K4 N12 O21 -","- C100 H188 B8 K4 N12 O21 -","- C200 H376 B16 K8 N24 O42 -","2","1","","Su, Bochao; Ota, Kei; Xu, Kai; Hirao, Hajime; Kinjo, Rei","Zwitterionic Inorganic Benzene Valence Isomer with σ-Bonding between Two π-Orbitals.","Journal of the American Chemical Society","2018","140","38","11921","11925","10.1021/jacs.8b08025","","","1.54178","CuKα","","0.1127","0.0864","","","0.2104","0.2412","","","","","","1.045","","","","has coordinates,has disorder","242878","2020-10-21","18:00:00",""
"4133026","11.4106","0.0002","26.175","0.0006","13.0678","0.0003","90","","101.516","0.0014","90","","3824.42","0.14","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H122 B4 K2 N6 O17 -","- C64 H122 B4 K2 N6 O17 -","- C128 H244 B8 K4 N12 O34 -","2","1","","Su, Bochao; Ota, Kei; Xu, Kai; Hirao, Hajime; Kinjo, Rei","Zwitterionic Inorganic Benzene Valence Isomer with σ-Bonding between Two π-Orbitals.","Journal of the American Chemical Society","2018","140","38","11921","11925","10.1021/jacs.8b08025","","","1.54178","CuKα","","0.0748","0.0665","","","0.157","0.1633","","","","","","1.006","","","","has coordinates,has disorder","242879","2020-10-21","18:00:00",""
"4133027","10.4493","0.0003","17.1573","0.0005","14.9166","0.0005","90","","106.791","0.0012","90","","2560.25","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H80 B4 K2 N6 O8 -","- C42 H80 B4 K2 N6 O8 -","- C84 H160 B8 K4 N12 O16 -","2","1","","Su, Bochao; Ota, Kei; Xu, Kai; Hirao, Hajime; Kinjo, Rei","Zwitterionic Inorganic Benzene Valence Isomer with σ-Bonding between Two π-Orbitals.","Journal of the American Chemical Society","2018","140","38","11921","11925","10.1021/jacs.8b08025","","","0.71073","MoKα","","0.1015","0.0607","","","0.1216","0.1439","","","","","","1.037","","","","has coordinates","242880","2020-10-21","18:00:00",""
"4133028","39.258","0.005","39.258","0.005","39.258","0.005","90","","90","","90","","60504","13","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C600 H660 N54 O24 Zn6 -","- C600.096 H320.16 N54 O24 Zn6 -","- C1200.19 H640.32 N108 O48 Zn12 -","2","0.0416667","","Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon","Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies.","Journal of the American Chemical Society","2018","140","44","14547","14551","10.1021/jacs.8b08030","","","0.9","synchrotron","","0.148","0.1302","","","0.3819","0.4051","","","","","","1.579","","","","has coordinates,has disorder","242881","2020-10-21","18:00:00",""
"4133029","40.05","0.006","40.05","0.006","37.745","0.008","90","","90","","90","","60543","18","100","2","100.15","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C592 H656 N52 O26 Zn6 -","- C587.998 H592 N52 O26 Zn6 -","- C1176 H1184 N104 O52 Zn12 -","2","0.125","","Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon","Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies.","Journal of the American Chemical Society","2018","140","44","14547","14551","10.1021/jacs.8b08030","","","0.66","synchrotron","","0.1931","0.1199","","","0.3525","0.3809","","","","","","0.994","","","","has coordinates","242882","2020-10-21","18:00:00",""
"4133030","38.945","0.005","38.945","0.005","38.945","0.005","90","","90","","90","","59068","13","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C588 H654 N54 O24 Zn6 -","- C575.904 H216 N54 O24 Zn6 -","- C1151.81 H432 N108 O48 Zn12 -","2","0.0416667","","Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon","Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies.","Journal of the American Chemical Society","2018","140","44","14547","14551","10.1021/jacs.8b08030","","","0.8","synchrotron","","0.1419","0.1291","","","0.3872","0.4072","","","","","","1.708","","","","has coordinates,has disorder","242883","2020-10-21","18:00:00",""
"4133031","39.074","0.005","39.074","0.005","39.074","0.005","90","","90","","90","","59657","13","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C606 H672 N54 O30 Zn6 -","- C606 H216 N54 O30 Zn6 -","- C1212 H432 N108 O60 Zn12 -","2","0.0416667","","Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon","Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies.","Journal of the American Chemical Society","2018","140","44","14547","14551","10.1021/jacs.8b08030","","","0.9","synchrotron","","0.151","0.139","","","0.3894","0.4095","","","","","","1.779","","","","has coordinates,has disorder","242884","2020-10-21","18:00:00",""
"4133032","13.5493","0.0016","13.5493","0.0016","9.484","0.003","90","","90","","120","","1507.8","0.5","10","2","10","2","","","","","","","","6","P 3","P 3","143","","","","- C22 H9 Cl3 Fe2 N9 O12 -","- C22 H9 Cl3 Fe2 N9 O12 -","- C22 H9 Cl3 Fe2 N9 O12 -","1","0.333333","","Sahadevan, Suchithra Ashoka; Abhervé, Alexandre; Monni, Noemi; Sáenz de Pipaón, Cristina; Galán-Mascarós, José Ramón; Waerenborgh, João C; Vieira, Bruno J. C.; Auban-Senzier, Pascale; Pillet, Sébastien; Bendeif, El-Eulmi; Alemany, Pere; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis","Conducting Anilate-Based Mixed-Valence Fe(II)Fe(III) Coordination Polymer: Small-Polaron Hopping Model for Oxalate-Type Fe(II)Fe(III) 2D Networks.","Journal of the American Chemical Society","2018","140","39","12611","12621","10.1021/jacs.8b08032","","","0.71073","MoKα","","0.152","0.0715","","","0.1912","0.2391","","","","","","1.086","","","","has coordinates","242885","2020-10-21","18:00:00",""
"4133033","13.616","0.002","13.616","0.002","9.43","0.004","90","","90","","120","","1514.1","0.7","150.01","0.1","150.01","0.1","","","","","","","","6","P 3","P 3","143","","","","- C22 H67 Cl3 Fe2 N9 O41 -","- C22 H9 Cl3 Fe2 N9 O12 -","- C22 H9 Cl3 Fe2 N9 O12 -","1","0.333333","","Sahadevan, Suchithra Ashoka; Abhervé, Alexandre; Monni, Noemi; Sáenz de Pipaón, Cristina; Galán-Mascarós, José Ramón; Waerenborgh, João C; Vieira, Bruno J. C.; Auban-Senzier, Pascale; Pillet, Sébastien; Bendeif, El-Eulmi; Alemany, Pere; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis","Conducting Anilate-Based Mixed-Valence Fe(II)Fe(III) Coordination Polymer: Small-Polaron Hopping Model for Oxalate-Type Fe(II)Fe(III) 2D Networks.","Journal of the American Chemical Society","2018","140","39","12611","12621","10.1021/jacs.8b08032","","","1.54184","CuKα","","0.063","0.0396","","","0.1135","0.1258","","","","","","0.87","","","","has coordinates","242886","2020-10-21","18:00:00",""
"4133034","11.0154","0.0002","17.1376","0.0004","19.6952","0.0004","100.319","0.001","106.005","0.001","91.226","0.001","3506.22","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H72 F4 N4 O4 -","- C88 H72 F4 N4 O4 -","- C176 H144 F8 N8 O8 -","2","1","","Schwarz, J. Luca; Schäfers, Felix; Tlahuext-Aca, Adrian; Lückemeier, Lukas; Glorius, Frank","Diastereoselective Allylation of Aldehydes by Dual Photoredox and Chromium Catalysis.","Journal of the American Chemical Society","2018","140","40","12705","12709","10.1021/jacs.8b08052","","","1.54178","CuKα","","0.0727","0.05","","","0.1064","0.1166","","","","","","1.049","","","","has coordinates,has disorder","242887","2020-10-21","18:00:00",""
"4133035","10.827","0.0003","11.5685","0.0003","21.0508","0.0005","90","","90","","90","","2636.66","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C120 H136 N8 O16 -","8","2","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0272","0.0261","","","0.0653","0.0661","","","","","","1.057","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133036","7.6815","0.0002","10.626","0.0003","22.9383","0.0006","90","","90","","90","","1872.31","0.09","100","2","99.97","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0316","0.0291","","","0.0712","0.0734","","","","","","1.086","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133037","7.6714","0.0003","10.6397","0.0004","22.9376","0.0008","90","","90","","90","","1872.2","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0284","0.0273","","","0.0679","0.0692","","","","","","1.086","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133038","7.8914","0.0001","14.9048","0.0003","16.1601","0.0003","90","","90","","90","","1900.75","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0331","0.0301","","","0.0729","0.0749","","","","","","1.054","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133039","7.8906","0.0003","14.9107","0.0004","16.1614","0.0005","90","","90","","90","","1901.46","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","x-ray","1.54178","CuKα","K-L~3~","0.0289","0.0278","","","0.0692","0.0701","","","","","","1.07","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133040","23.3289","0.0006","7.9711","0.0002","10.6124","0.0003","90","","110.47","0.001","90","","1848.84","0.09","100","","100.01","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0273","0.027","","","0.0696","0.07","","","","","","1.06","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133041","23.322","0.0006","7.9725","0.0002","10.6113","0.0003","90","","110.411","0.001","90","","1849.13","0.09","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0279","0.0273","","","0.0701","0.0706","","","","","","1.072","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133042","8.4372","0.0004","9.7417","0.0005","17.5976","0.0008","103.786","0.003","103.714","0.003","91.567","0.003","1359.28","0.12","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H44 F24 N4 O2.25 P4 -","- C50 H43.9996 F24 N4 O2.25 P4 -","- C50 H43.9996 F24 N4 O2.25 P4 -","1","0.5","","Wu, Yilei; Zhou, Jiawang; Nelson, Jordan N.; Young, Ryan M.; Krzyaniak, Matthew D.; Wasielewski, Michael R.","Covalent Radical Pairs as Spin Qubits: Influence of Rapid Electron Motion between Two Equivalent Sites on Spin Coherence.","Journal of the American Chemical Society","2018","140","40","13011","13021","10.1021/jacs.8b08105","","","1.54178","CuKα","","0.0804","0.0675","","","0.1869","0.1989","","","","","","1.027","","","","has coordinates,has disorder","242889","2020-10-21","18:00:00",""
"4133043","7.103","0.0014","7.171","0.0014","22.409","0.004","94.46","0.03","96.95","0.03","98.47","0.03","1115.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C52 H40 Cl4 N4 O4 -","4","2","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.7","synchrotron","","0.0783","0.0673","","","0.2047","0.2151","","","","","","1.058","","","","has coordinates","242890","2020-10-21","18:00:00",""
"4133044","37.321","0.007","7.449","0.0015","16.822","0.003","90","","101.13","0.03","90","","4588.6","1.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H28 Cl N O2 -","- C28 H28 Cl N O2 -","- C224 H224 Cl8 N8 O16 -","8","2","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.67","synchrotron","","0.0803","0.0726","","","0.2002","0.208","","","","","","1.132","","","","has coordinates","242891","2020-10-21","18:00:00",""
"4133045","7.1224","0.0008","7.4835","0.0008","37.037","0.004","90","","94.938","0.003","90","","1966.8","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cl N O -","- C11 H10 Cl N O -","- C88 H80 Cl8 N8 O8 -","8","2","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.71073","MoKα","","0.1045","0.0945","","","0.235","0.2385","","","","","","1.246","","","","has coordinates","242892","2020-10-21","18:00:00",""
"4133046","5.1777","0.0002","20.3335","0.0007","11.7701","0.0005","90","","102.093","0.0015","90","","1211.67","0.08","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl N O -","- C15 H10 Cl N O -","- C60 H40 Cl4 N4 O4 -","4","1","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.71073","MoKα","","0.0752","0.0457","","","0.0834","0.0934","","","","","","1.019","","","","has coordinates","242893","2020-10-21","18:00:00",""
"4133047","13.412","0.003","14.379","0.003","15.278","0.003","91.54","0.03","106.29","0.03","106.58","0.03","2692.1","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Br N O -","- C15 H10 Br N O -","- C120 H80 Br8 N8 O8 -","8","4","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.7","synchrotron","","0.0782","0.0726","","","0.2156","0.219","","","","","","1.073","","","","has coordinates","242894","2020-10-21","18:00:00",""
"4133048","11.286","0.003","8.552","0.0018","20.17","0.005","90","","102.313","0.008","90","","1902","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 N O -","- C12 H11 N O -","- C96 H88 N8 O8 -","8","1","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.71073","MoKα","","0.0872","0.0527","","","0.1187","0.1344","","","","","","1.038","","","","has coordinates","242895","2020-10-21","18:00:00",""
"4133049","7.406","0.0015","13.453","0.003","17.441","0.003","90","","90.02","0.03","90","","1737.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.67","synchrotron","","0.0666","0.0584","","","0.1641","0.1706","","","","","","1.102","","","","has coordinates","242896","2020-10-21","18:00:00",""
"4133050","19.4538","0.0008","15.5386","0.0007","21.3223","0.001","90","","93.348","0.002","90","","6434.4","0.5","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C63.17 H42.35 B Cl2.35 F24 Ir N2 O2 -","- C63.172 H42.344 B Cl2.344 F24.012 Ir N2 O2 -","- C252.688 H169.376 B4 Cl9.376 F96.048 Ir4 N8 O8 -","4","1","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.71073","MoKα","","0.0592","0.0378","","","0.0822","0.0919","","","","","","1.056","","","","has coordinates,has disorder","242897","2020-10-21","18:00:00",""
"4133051","9.204","0.003","10.736","0.003","37.751","0.009","90","","90","","90","","3730.3","1.8","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N4 O4 S -","- C17 H22 N4 O4 S -","- C136 H176 N32 O32 S8 -","8","1","","Lennox, Alastair J. J.; Goes, Shannon L.; Webster, Matthew P.; Koolman, Hannes F.; Djuric, Stevan W.; Stahl, Shannon S.","Electrochemical Aminoxyl-Mediated α-Cyanation of Secondary Piperidines for Pharmaceutical Building Block Diversification.","Journal of the American Chemical Society","2018","140","36","11227","11231","10.1021/jacs.8b08145","","x-ray","0.71073","MoKα","","0.0569","0.0478","","","0.1148","0.1191","","","","","","1.093","","","","has coordinates,has disorder","242898","2020-10-21","18:00:00",""
"4133052","16.188","0.002","6.4618","0.0008","16.639","0.002","90","","111.357","0.002","90","","1621","0.3","100","","99.96","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Cl F N2 O5 -","- C15 H20 Cl F N2 O5 -","- C60 H80 Cl4 F4 N8 O20 -","4","1","","Lennox, Alastair J. J.; Goes, Shannon L.; Webster, Matthew P.; Koolman, Hannes F.; Djuric, Stevan W.; Stahl, Shannon S.","Electrochemical Aminoxyl-Mediated α-Cyanation of Secondary Piperidines for Pharmaceutical Building Block Diversification.","Journal of the American Chemical Society","2018","140","36","11227","11231","10.1021/jacs.8b08145","","x-ray","0.71073","MoKα","","0.0422","0.0373","","","0.0986","0.102","","","","","","1.04","","","","has coordinates,has disorder","242899","2020-10-21","18:00:00",""
"4133053","9.0808","0.0003","14.9109","0.0004","12.3558","0.0004","90","","106.119","0.002","90","","1607.24","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C76 H84 N4 O4 -","- C76 H84 N4 O4 -","- C76 H84 N4 O4 -","1","0.5","","Wang, Kuai; Ding, Zhengtian; Zhou, Zhijun; Kong, Wangqing","Ni-Catalyzed Enantioselective Reductive Diarylation of Activated Alkenes by Domino Cyclization/Cross-Coupling.","Journal of the American Chemical Society","2018","140","39","12364","12368","10.1021/jacs.8b08190","","","1.54184","CuKα","","0.0478","0.0427","","","0.1074","0.1112","","","","","","1.036","","","","has coordinates","242900","2020-10-21","18:00:00",""
"4133054","10.3734","0.0004","18.3383","0.0006","11.1315","0.0004","90","","104.216","0.002","90","","2052.7","0.13","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H18 B2 N2 -","- C32 H18 B2 N2 -","- C128 H72 B8 N8 -","4","1","","Nakatsuka, Soichiro; Yasuda, Nobuhiro; Hatakeyama, Takuji","Four-Step Synthesis of B<sub>2</sub>N<sub>2</sub>-Embedded Corannulene.","Journal of the American Chemical Society","2018","140","42","13562","13565","10.1021/jacs.8b08197","","","0.7813","synchrotron","","0.071","0.0396","","","0.0792","0.1164","","","","","","1.178","","","","has coordinates","242901","2020-10-21","18:00:00",""
"4133055","23.4058","0.0012","9.7389","0.0004","21.1026","0.0011","90","","114.635","0.006","90","","4372.4","0.4","318","2","318","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H33 I12 N3 Pb3 -","- C12 H33 I12 N3 Pb3 -","- C48 H132 I48 N12 Pb12 -","4","0.5","","Hua, Xiu-Ni; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Zhao, Dewei; Xiong, Ren-Gen","A Room-Temperature Hybrid Lead Iodide Perovskite Ferroelectric.","Journal of the American Chemical Society","2018","140","38","12296","12302","10.1021/jacs.8b08286","","","0.71073","MoKα","","0.1059","0.0584","","","0.1651","0.1836","","","","","","1.098","","","","has coordinates","242902","2020-10-21","18:00:00",""
"4133056","9.8401","0.0003","9.8401","0.0003","7.9506","0.0003","90","","90","","120","","666.7","0.04","298","2","298","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C4 H11 F I3 N Pb -","- C4.0002 H11.001 F1.0002 I3 N Pb -","- C8.0004 H22.002 F2.0004 I6 N2 Pb2 -","2","0.166667","","Hua, Xiu-Ni; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Zhao, Dewei; Xiong, Ren-Gen","A Room-Temperature Hybrid Lead Iodide Perovskite Ferroelectric.","Journal of the American Chemical Society","2018","140","38","12296","12302","10.1021/jacs.8b08286","","","0.71073","MoKα","","0.0292","0.0276","","","0.0748","0.0759","","","","","","1.063","","","","has coordinates","242903","2020-10-21","18:00:00",""
"4133057","9.8122","0.0002","9.8122","0.0002","7.9417","0.0002","90","","90","","120","","662.18","0.03","298","2","298","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 I3 N Pb -","- C4.0002 H12.0006 I3 N Pb -","- C8.0004 H24.0012 I6 N2 Pb2 -","2","0.166667","","Hua, Xiu-Ni; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Zhao, Dewei; Xiong, Ren-Gen","A Room-Temperature Hybrid Lead Iodide Perovskite Ferroelectric.","Journal of the American Chemical Society","2018","140","38","12296","12302","10.1021/jacs.8b08286","","","0.71073","MoKα","","0.0302","0.0258","","","0.0804","0.0819","","","","","","1.013","","","","has coordinates","242904","2020-10-21","18:00:00",""
"4133058","10.0295","0.0004","10.0295","0.0004","8.0329","0.0004","90","","90","","120","","699.78","0.05","298","2","298","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C4 H11 Cl I3 N Pb -","- C4.0002 H11.0004 Cl I3 N Pb -","- C8.0004 H22.0008 Cl2 I6 N2 Pb2 -","2","0.0833333","","Hua, Xiu-Ni; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Zhao, Dewei; Xiong, Ren-Gen","A Room-Temperature Hybrid Lead Iodide Perovskite Ferroelectric.","Journal of the American Chemical Society","2018","140","38","12296","12302","10.1021/jacs.8b08286","","","0.71073","MoKα","","0.0541","0.0329","","","0.1158","0.127","","","","","","1.096","","","","has coordinates","242905","2020-10-21","18:00:00",""
"4133059","23.3952","0.0008","9.6647","0.0002","21.1827","0.0006","90","","114.928","0.004","90","","4343.4","0.3","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H33 I12 N3 Pb3 -","- C12 H33 I12 N3 Pb3 -","- C48 H132 I48 N12 Pb12 -","4","1","","Hua, Xiu-Ni; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Zhao, Dewei; Xiong, Ren-Gen","A Room-Temperature Hybrid Lead Iodide Perovskite Ferroelectric.","Journal of the American Chemical Society","2018","140","38","12296","12302","10.1021/jacs.8b08286","","","0.71073","MoKα","","0.0462","0.043","","","0.1186","0.1205","","","","","","1.007","","","","has coordinates","242906","2020-10-21","18:00:00",""
"4133060","10.0802","0.0005","10.0802","0.0005","8.0696","0.0005","90","","90","","120","","710.1","0.07","298","2","298","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C4 H11 Br I3 N Pb -","- C4.0002 H11.0004 Br1.0002 I3 N Pb -","- C8.0004 H22.0008 Br2.0004 I6 N2 Pb2 -","2","0.0833333","","Hua, Xiu-Ni; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Zhao, Dewei; Xiong, Ren-Gen","A Room-Temperature Hybrid Lead Iodide Perovskite Ferroelectric.","Journal of the American Chemical Society","2018","140","38","12296","12302","10.1021/jacs.8b08286","","","0.71073","MoKα","","0.0549","0.0486","","","0.16","0.1686","","","","","","1.055","","","","has coordinates","242907","2020-10-21","18:00:00",""
"4133061","16.3036","0.0007","16.3036","0.0007","9.2767","0.0004","90","","90","","120","","2135.46","0.16","174","2","174","2","","","","","","","","4","P 63","P 6c","173","","","","- C30 H42 O13 Zn4 -","- C30 H42 O13 Zn4 -","- C60 H84 O26 Zn8 -","2","0.333333","","Zhao, Xiang; Yang, Huajun; Nguyen, Edward T.; Padilla, Joshua; Chen, Xitong; Feng, Pingyun; Bu, Xianhui","Enabling Homochirality and Hydrothermal Stability in Zn<sub>4</sub>O-Based Porous Crystals.","Journal of the American Chemical Society","2018","140","42","13566","13569","10.1021/jacs.8b08316","","","0.71073","MoKα","","0.0668","0.0382","","","0.0657","0.0724","","","","","","0.886","","","","has coordinates","242908","2020-10-21","18:00:00",""
"4133062","21.407","0.004","21.407","0.004","29.254","0.006","90","","90","","120","","11610","4","174","2","174","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C132 H132 N36 O25 Zn13 -","- C132 H132 N36 O25 Zn13 -","- C396 H396 N108 O75 Zn39 -","3","0.333333","","Zhao, Xiang; Yang, Huajun; Nguyen, Edward T.; Padilla, Joshua; Chen, Xitong; Feng, Pingyun; Bu, Xianhui","Enabling Homochirality and Hydrothermal Stability in Zn<sub>4</sub>O-Based Porous Crystals.","Journal of the American Chemical Society","2018","140","42","13566","13569","10.1021/jacs.8b08316","","","0.71073","MoKα","","0.0493","0.0397","","","0.1109","0.1171","","","","","","0.899","","","","has coordinates","242908","2020-10-21","18:00:00",""
"4133063","18.0896","0.0013","19.6293","0.0014","26.2525","0.0019","95.895","0.004","98.643","0.005","105.487","0.004","8781","1.1","230","2","230","","","","","","","","","5","P -1","-P 1","2","","","","- C150 H225 Ag Au20 S15 -","- C150 H225 Ag Au20 S15 -","- C300 H450 Ag2 Au40 S30 -","2","1","","Li, Yingwei; Luo, Tian-Yi; Zhou, Meng; Song, Yongbo; Rosi, Nathaniel L.; Jin, Rongchao","A Correlated Series of Au/Ag Nanoclusters Revealing the Evolutionary Patterns of Asymmetric Ag Doping.","Journal of the American Chemical Society","2018","140","43","14235","14243","10.1021/jacs.8b08335","","x-ray","1.54178","CuKα","","0.081","0.0579","","","0.1758","0.192","","","","","","1.04","","","","has coordinates","242909","2020-10-21","18:00:00",""
"4133064","28.5598","0.0009","28.5598","0.0009","73.154","0.004","90","","90","","120","","51675","4","229.9","","229.91","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C150 H225 Ag7.85 Au15.15 S15 -","- C150 H225 Ag7.42 Au15.58 S15 -","- C1800 H2700 Ag89.04 Au186.96 S180 -","12","0.333333","","Li, Yingwei; Luo, Tian-Yi; Zhou, Meng; Song, Yongbo; Rosi, Nathaniel L.; Jin, Rongchao","A Correlated Series of Au/Ag Nanoclusters Revealing the Evolutionary Patterns of Asymmetric Ag Doping.","Journal of the American Chemical Society","2018","140","43","14235","14243","10.1021/jacs.8b08335","","x-ray","1.54178","CuKα","","0.0866","0.0619","","","0.1557","0.1741","","","","","","1.071","","","","has coordinates","242910","2020-10-21","18:00:00",""
"4133065","17.4011","0.0006","44.214","0.002","30.335","0.0013","90","","93.106","0.003","90","","23304.6","1.7","230","2","230.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C150 H225 Ag4 Au19 S15 -","- C150 H225 Ag4 Au19 S15 -","- C600 H900 Ag16 Au76 S60 -","4","1","","Li, Yingwei; Luo, Tian-Yi; Zhou, Meng; Song, Yongbo; Rosi, Nathaniel L.; Jin, Rongchao","A Correlated Series of Au/Ag Nanoclusters Revealing the Evolutionary Patterns of Asymmetric Ag Doping.","Journal of the American Chemical Society","2018","140","43","14235","14243","10.1021/jacs.8b08335","","x-ray","1.54178","CuKα","","0.1494","0.1317","","","0.3186","0.3306","","","","","","1.136","","","","has coordinates","242911","2020-10-21","18:00:00",""
"4133066","17.435","0.0008","34.747","0.002","31.2829","0.0015","90","","93.945","0.003","90","","18906.7","1.7","230","2","230.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C150 H225 Ag5.76 Au17.24 S15 -","- C150 H225 Ag5.76 Au17.24 S15 -","- C600 H900 Ag23.04 Au68.96 S60 -","4","1","","Li, Yingwei; Luo, Tian-Yi; Zhou, Meng; Song, Yongbo; Rosi, Nathaniel L.; Jin, Rongchao","A Correlated Series of Au/Ag Nanoclusters Revealing the Evolutionary Patterns of Asymmetric Ag Doping.","Journal of the American Chemical Society","2018","140","43","14235","14243","10.1021/jacs.8b08335","","x-ray","1.54178","CuKα","","0.1241","0.0945","","","0.2418","0.2617","","","","","","1.059","","","","has coordinates","242912","2020-10-21","18:00:00",""
"4133067","10.14479","0.00018","15.77","0.0003","18.0637","0.0003","90","","90","","90","","2889.89","0.09","110","2","110","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H38 F6 Fe N4 O3 S2 -","- C23 H38 F6 Fe N4 O3 S2 -","- C92 H152 F24 Fe4 N16 O12 S8 -","4","1","","Gordon, Jesse B.; McGale, Jeremy P.; Prendergast, Joshua R.; Shirani-Sarmazeh, Zahra; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Structures, Spectroscopic Properties, and Dioxygen Reactivity of 5- and 6-Coordinate Nonheme Iron(II) Complexes: A Combined Enzyme/Model Study of Thiol Dioxygenases.","Journal of the American Chemical Society","2018","140","44","14807","14822","10.1021/jacs.8b08349","","","0.71073","MoKα","","0.0235","0.0225","","","0.0536","0.0543","","","","","","1.057","","","","has coordinates","242913","2020-10-21","18:00:00",""
"4133068","8.69605","0.0001","27.0715","0.0003","11.47003","0.00012","90","","99.8988","0.0011","90","","2660.02","0.05","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H39 F3 Fe N4 O3 S2 -","- C22 H39 F3 Fe N4 O3 S2 -","- C88 H156 F12 Fe4 N16 O12 S8 -","4","1","","Gordon, Jesse B.; McGale, Jeremy P.; Prendergast, Joshua R.; Shirani-Sarmazeh, Zahra; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Structures, Spectroscopic Properties, and Dioxygen Reactivity of 5- and 6-Coordinate Nonheme Iron(II) Complexes: A Combined Enzyme/Model Study of Thiol Dioxygenases.","Journal of the American Chemical Society","2018","140","44","14807","14822","10.1021/jacs.8b08349","","","1.54178","CuKα","","0.0284","0.0252","","","0.06","0.0619","","","","","","1.022","","","","has coordinates","242914","2020-10-21","18:00:00",""
"4133069","16.8056","0.0003","12.9548","0.0002","25.241","0.0005","90","","90","","90","","5495.3","0.17","110","2","110","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C38 H58 F12 Fe2 N10 O11 S4 -","- C38 H58 F12 Fe2 N10 O11 S4 -","- C152 H232 F48 Fe8 N40 O44 S16 -","4","0.5","","Gordon, Jesse B.; McGale, Jeremy P.; Prendergast, Joshua R.; Shirani-Sarmazeh, Zahra; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Structures, Spectroscopic Properties, and Dioxygen Reactivity of 5- and 6-Coordinate Nonheme Iron(II) Complexes: A Combined Enzyme/Model Study of Thiol Dioxygenases.","Journal of the American Chemical Society","2018","140","44","14807","14822","10.1021/jacs.8b08349","","","0.71073","MoKα","","0.0352","0.0301","","","0.0715","0.0746","","","","","","1.029","","","","has coordinates,has disorder","242915","2020-10-21","18:00:00",""
"4133070","8.3436","0.0002","23.146","0.0006","12.0896","0.0005","90","","94.827","0.003","90","","2326.47","0.13","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 F6 Fe N4 O3 S2 -","- C17 H26 F6 Fe N4 O3 S2 -","- C68 H104 F24 Fe4 N16 O12 S8 -","4","1","","Gordon, Jesse B.; McGale, Jeremy P.; Prendergast, Joshua R.; Shirani-Sarmazeh, Zahra; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Structures, Spectroscopic Properties, and Dioxygen Reactivity of 5- and 6-Coordinate Nonheme Iron(II) Complexes: A Combined Enzyme/Model Study of Thiol Dioxygenases.","Journal of the American Chemical Society","2018","140","44","14807","14822","10.1021/jacs.8b08349","","","0.71073","MoKα","","0.031","0.0262","","","0.0613","0.0639","","","","","","1.043","","","","has coordinates,has disorder","242916","2020-10-21","18:00:00",""
"4133071","8.5954","0.0002","20.9367","0.0005","12.2537","0.0004","90","","106.051","0.003","90","","2119.2","0.1","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H27 F3 Fe N4 O3 S2 -","- C16 H27 F3 Fe N4 O3 S2 -","- C64 H108 F12 Fe4 N16 O12 S8 -","4","1","","Gordon, Jesse B.; McGale, Jeremy P.; Prendergast, Joshua R.; Shirani-Sarmazeh, Zahra; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Structures, Spectroscopic Properties, and Dioxygen Reactivity of 5- and 6-Coordinate Nonheme Iron(II) Complexes: A Combined Enzyme/Model Study of Thiol Dioxygenases.","Journal of the American Chemical Society","2018","140","44","14807","14822","10.1021/jacs.8b08349","","","0.71073","MoKα","","0.0324","0.0267","","","0.0618","0.0646","","","","","","1.026","","","","has coordinates,has disorder","242917","2020-10-21","18:00:00",""
"4133072","7.1478","0.0007","19.364","0.002","20.976","0.002","90","","90","","90","","2903.3","0.5","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H8 N2 O4 -","- C20 H8 N2 O4 -","- C160 H64 N16 O32 -","8","1","","Zhang, Bing; Wei, Mufeng; Mao, Haiyan; Pei, Xiaokun; Alshmimri, Sultan A.; Reimer, Jeffrey A.; Yaghi, Omar M.","Crystalline Dioxin-Linked Covalent Organic Frameworks from Irreversible Reactions.","Journal of the American Chemical Society","2018","140","40","12715","12719","10.1021/jacs.8b08374","","x-ray","0.7288","synchrotron","","0.0438","0.0375","","","0.0963","0.1021","","","","","","1.066","","","","has coordinates","242918","2020-10-21","18:00:00",""
"4133073","6.5384","0.0007","19.201","0.002","12.6755","0.0014","90","","92.199","0.002","90","","1590.2","0.3","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","bis(mu2-2,2,2',2'-tetramethyl-1,3-benzenedipropanoato-O,O')-aqua-rhodium- bismuth","","- C32 H41.44 Bi O9 Rh -","- C32 H41.4366 Bi O9 Rh -","- C64 H82.8732 Bi2 O18 Rh2 -","2","1","","Collins, Lee R.; van Gastel, Maurice; Neese, Frank; Fürstner, Alois","Enhanced Electrophilicity of Heterobimetallic Bi-Rh Paddlewheel Carbene Complexes: A Combined Experimental, Spectroscopic, and Computational Study.","Journal of the American Chemical Society","2018","140","40","13042","13055","10.1021/jacs.8b08384","","","0.71073","Mo-Kα","","0.0476","0.0418","","","0.0872","0.0887","","","","","","1.223","","","","has coordinates,has disorder","242919","2020-10-21","18:00:00",""
"4133074","19.557","0.004","5.417","0.0011","21.739","0.004","90","","102.53","0.03","90","","2248.2","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O4 S3 -","- C21 H19 N O4 S3 -","- C84 H76 N4 O16 S12 -","4","1","","Huang, Zixuan; Noble, Benjamin B.; Corrigan, Nathaniel; Chu, Yingying; Satoh, Kotaro; Thomas, Donald S.; Hawker, Craig J.; Moad, Graeme; Kamigaito, Masami; Coote, Michelle L.; Boyer, Cyrille; Xu, Jiangtao","Discrete and Stereospecific Oligomers Prepared by Sequential and Alternating Single Unit Monomer Insertion.","Journal of the American Chemical Society","2018","140","41","13392","13406","10.1021/jacs.8b08386","","","0.71073","MoKα","","0.3022","0.1801","","","0.4042","0.4696","","","","","","1.226","","","","has coordinates","242920","2020-10-21","18:00:00",""
"4133075","10.069","0.005","13.923","0.003","23.605","0.004","99.637","0.016","96.307","0.017","102.375","0.019","3150","1.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H106 B2 Cl9 N P2 Pt -","- C54 H106 B2 Cl9 N P2 Pt -","- C108 H212 B4 Cl18 N2 P4 Pt2 -","2","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0721","0.0489","","","0.0939","0.1013","","","","","","1.082","","","","has coordinates,has disorder","242922","2020-10-21","18:00:00",""
"4133076","17.525","0.008","8.667","0.004","18.103","0.005","90","","90","","90","","2749.6","1.9","100","2","100","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C35 H26 B2 Cl2 -","- C35 H26 B2 Cl2 -","- C140 H104 B8 Cl8 -","4","0.5","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0387","0.0322","","","0.0837","0.0884","","","","","","1.04","","","","has coordinates","242923","2020-10-21","18:00:00",""
"4133077","9.098","0.003","14.582","0.004","20.853","0.003","90","","99.45","0.02","90","","2729","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 B2 F2 P2 Pt -","- C24 H40 B2 F2 P2 Pt -","- C96 H160 B8 F8 P8 Pt4 -","4","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0271","0.021","","","0.0476","0.0496","","","","","","1.05","","","","has coordinates","242924","2020-10-21","18:00:00",""
"4133078","15.01","0.008","13.878","0.007","19.709","0.01","90","","93.77","0.02","90","","4097","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 B2 F2 -","- C28 H18 B2 F2 -","- C224 H144 B16 F16 -","8","2","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.1018","0.0493","","","0.1006","0.122","","","","","","0.998","","","","has coordinates","242925","2020-10-21","18:00:00",""
"4133079","6.4637","0.0016","12.672","0.004","8.946","0.003","90","","95.955","0.011","90","","728.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 B2 Cl4 P2 -","- C6 H18 B2 Cl4 P2 -","- C12 H36 B4 Cl8 P4 -","2","0.5","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0202","0.0174","","","0.0435","0.0443","","","","","","1.081","","","","has coordinates","242926","2020-10-21","18:00:00",""
"4133080","10.061","0.004","13.999","0.007","23.687","0.01","99.726","0.008","96.352","0.005","102.088","0.007","3178","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H106 B2 Br Cl8 N P2 Pt -","- C54 H106 B2 Br Cl8 N P2 Pt -","- C108 H212 B4 Br2 Cl16 N2 P4 Pt2 -","2","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0629","0.0496","","","0.116","0.1233","","","","","","1.078","","","","has coordinates,has disorder","242927","2020-10-21","18:00:00",""
"4133081","9.3437","0.0015","12.3226","0.0019","33.839","0.008","90","","97.135","0.014","90","","3866","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H64 B2 F2 P2 Pt -","- C39 H64 B2 F2 P2 Pt -","- C156 H256 B8 F8 P8 Pt4 -","4","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0381","0.0324","","","0.0727","0.0744","","","","","","1.182","","","","has coordinates","242928","2020-10-21","18:00:00",""
"4133082","10.568","0.003","10.666","0.003","21.787","0.008","95.4","0.02","98.984","0.014","90.482","0.014","2414.2","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H65 B2 F2 P2 Pt2 -","- C53 H65 B2 F2 P2 Pt2 -","- C106 H130 B4 F4 P4 Pt4 -","2","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0377","0.0248","","","0.0591","0.0651","","","","","","1.031","","","","has coordinates","242929","2020-10-21","18:00:00",""
"4133083","12.422","0.003","13.924","0.003","19.359","0.005","90","","95.423","0.012","90","","3333.4","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H52 B2 F2 P2 Pt -","- C30 H52 B2 F2 P2 Pt -","- C120 H208 B8 F8 P8 Pt4 -","4","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.022","0.0179","","","0.0436","0.0452","","","","","","1.078","","","","has coordinates","242930","2020-10-21","18:00:00",""
"4133084","17.286","0.005","11.333","0.004","22.6","0.007","90","","96.45","0.03","90","","4399","2","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C63 H46 B2 -","- C63 H46 B2 -","- C252 H184 B8 -","4","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0629","0.0525","","","0.1342","0.1432","","","","","","1.071","","","","has coordinates","242931","2020-10-21","18:00:00",""
"4133085","9.869","0.005","11.089","0.006","21.351","0.012","94.42","0.03","99.27","0.019","96.16","0.02","2282","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H74 B2 Cl4 P2 Pt -","- C43 H74 B2 Cl4 P2 Pt -","- C86 H148 B4 Cl8 P4 Pt2 -","2","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0279","0.0242","","","0.0545","0.0562","","","","","","1.054","","","","has coordinates,has disorder","242932","2020-10-21","18:00:00",""
"4133086","20.56","0.0003","20.56","0.0003","67.1128","0.0011","90","","90","","90","","28369.5","0.7","293","","293","","","","","","","","","6","I 41/a m d :2","-I 4bd 2","141","","","MFM-601_SO2","- C44 H24 N2 O44.544 S14.272 Zr3 -","- C44 H24 N2 O44.544 S14.272 Zr3 -","- C352 H192 N16 O356.352 S114.176 Zr24 -","8","0.25","","Carter, Joseph H.; Han, Xue; Moreau, Florian Y.; da Silva, Ivan; Nevin, Adam; Godfrey, Harry G. W.; Tang, Chiu C.; Yang, Sihai; Schröder, Martin","Exceptional Adsorption and Binding of Sulfur Dioxide in a Robust Zirconium-Based Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","46","15564","15567","10.1021/jacs.8b08433","powder diffraction","","0.826013","synchrotron","","3.10498","","","","","","","","2.76239","","","","","","","has coordinates","242933","2020-10-21","18:00:00",""
"4133087","20.5905","0.0004","20.5905","0.0004","66.874","0.002","90","","90","","90","","28352.5","1.2","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","MFM-600","","","- C38.13 H20 N1.73 O11.47 Zr2 -","- C39.6 H20.6667 N1.8 O11.6 Zr2 -","- C475.2 H248 N21.6 O139.2 Zr24 -","12","0.375","","Carter, Joseph H.; Han, Xue; Moreau, Florian Y.; da Silva, Ivan; Nevin, Adam; Godfrey, Harry G. W.; Tang, Chiu C.; Yang, Sihai; Schröder, Martin","Exceptional Adsorption and Binding of Sulfur Dioxide in a Robust Zirconium-Based Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","46","15564","15567","10.1021/jacs.8b08433","","x-ray","1.54184","CuKα","","0.1091","0.0837","","","0.234","0.2628","","","","","","1.061","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4133088","20.7442","0.0002","20.7442","0.0002","66.4456","0.0007","90","","90","","90","","28593","0.5","298","","298","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","MFM-601_empty","- C44 H24 N2 O16 Zr3 -","- C44 H24 N2 O16 Zr3 -","- C352 H192 N16 O128 Zr24 -","8","0.25","","Carter, Joseph H.; Han, Xue; Moreau, Florian Y.; da Silva, Ivan; Nevin, Adam; Godfrey, Harry G. W.; Tang, Chiu C.; Yang, Sihai; Schröder, Martin","Exceptional Adsorption and Binding of Sulfur Dioxide in a Robust Zirconium-Based Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","46","15564","15567","10.1021/jacs.8b08433","powder diffraction","","0.826013","synchrotron","","6.04349","","","","","","","","4.07772","","","","","","","has coordinates","242935","2020-10-21","18:00:00",""
"4133089","20.6839","0.0003","20.6839","0.0003","66.7301","0.0009","90","","90","","90","","28548.7","0.7","200","","200","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","MFM-601_CO2","- C51.36 H24 N2 O28.72 Zr3 -","- C51.044 H24 N2 O28.404 Zr3 -","- C408.352 H192 N16 O227.232 Zr24 -","8","0.25","","Carter, Joseph H.; Han, Xue; Moreau, Florian Y.; da Silva, Ivan; Nevin, Adam; Godfrey, Harry G. W.; Tang, Chiu C.; Yang, Sihai; Schröder, Martin","Exceptional Adsorption and Binding of Sulfur Dioxide in a Robust Zirconium-Based Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","46","15564","15567","10.1021/jacs.8b08433","powder diffraction","","0.826013","synchrotron","","4.98582","","","","","","","","3.30269","","","","","","","has coordinates","242936","2020-10-21","18:00:00",""
"4133090","13.0018","0.0005","18.0812","0.0007","18.4092","0.0007","100.535","0.001","105.668","0.002","105.893","0.002","3850.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C79 H53 B Cl F24 Mo N3 P2 -","- C79 H53 B Cl F24 Mo N3 P2 -","- C158 H106 B2 Cl2 F48 Mo2 N6 P4 -","2","1","","Bezdek, Máté J; Chirik, Paul J.","Proton-Coupled Electron Transfer to a Molybdenum Ethylene Complex Yields a β-Agostic Ethyl: Structure, Dynamics and Mechanism.","Journal of the American Chemical Society","2018","140","42","13817","13826","10.1021/jacs.8b08460","","","1.54178","CuKα","","0.0448","0.0422","","","0.1111","0.1134","","","","","","1.091","","","","has coordinates,has disorder","242937","2020-10-21","18:00:00",""
"4133091","37.1367","0.0009","11.2491","0.0003","17.4213","0.0004","90","","90","","90","","7277.8","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C81 H57 B F24 Mo N3 P2 -","- C81 H57 B F24 Mo N3 P2 -","- C324 H228 B4 F96 Mo4 N12 P8 -","4","1","","Bezdek, Máté J; Chirik, Paul J.","Proton-Coupled Electron Transfer to a Molybdenum Ethylene Complex Yields a β-Agostic Ethyl: Structure, Dynamics and Mechanism.","Journal of the American Chemical Society","2018","140","42","13817","13826","10.1021/jacs.8b08460","","","1.54178","CuKα","","0.0334","0.0333","","","0.0861","0.0862","","","","","","1.076","","","","has coordinates,has disorder","242937","2020-10-21","18:00:00",""
"4133092","19.2322","0.0004","17.1195","0.0004","23.0976","0.0005","90","","100.715","0.001","90","","7472.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H58 B F24 Mo N3 P2 -","- C81 H58 B F24 Mo N3 P2 -","- C324 H232 B4 F96 Mo4 N12 P8 -","4","1","","Bezdek, Máté J; Chirik, Paul J.","Proton-Coupled Electron Transfer to a Molybdenum Ethylene Complex Yields a β-Agostic Ethyl: Structure, Dynamics and Mechanism.","Journal of the American Chemical Society","2018","140","42","13817","13826","10.1021/jacs.8b08460","","","1.54178","CuKα","","0.0433","0.041","","","0.1018","0.1038","","","","","","1.045","","","","has coordinates,has disorder","242937","2020-10-21","18:00:00",""
"4133093","10.3714","0.0002","16.5866","0.0003","22.7054","0.0004","90","","96.857","0.001","90","","3877.99","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H45 Mo N3 P2 -","- C49 H45 Mo N3 P2 -","- C196 H180 Mo4 N12 P8 -","4","1","","Bezdek, Máté J; Chirik, Paul J.","Proton-Coupled Electron Transfer to a Molybdenum Ethylene Complex Yields a β-Agostic Ethyl: Structure, Dynamics and Mechanism.","Journal of the American Chemical Society","2018","140","42","13817","13826","10.1021/jacs.8b08460","","","1.54178","CuKα","","0.0298","0.0271","","","0.0621","0.0638","","","","","","1.126","","","","has coordinates","242937","2020-10-21","18:00:00",""
"4133094","4.5113","0.0003","17.3791","0.001","15.5995","0.0009","90","","94.788","0.003","90","","1218.77","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 N2 O3 -","- C31 H28 N2 O3 -","- C62 H56 N4 O6 -","2","1","","DeHaven, Baillie A.; Goodlett, Dustin W.; Sindt, Ammon J.; Noll, Niklas; De Vetta, Martina; Smith, Mark D.; Martin, Corey R.; González, Leticia; Shimizu, Linda S.","Enhancing the Stability of Photogenerated Benzophenone Triplet Radical Pairs through Supramolecular Assembly.","Journal of the American Chemical Society","2018","140","40","13064","13070","10.1021/jacs.8b08501","","x-ray","0.71073","MoKα","","0.1058","0.0602","","","0.1338","0.1494","","","","","","1.022","","","","has coordinates","242938","2020-10-21","18:00:00",""
"4133095","14.4912","0.0006","9.6735","0.0004","16.1593","0.0007","90","","115.133","0.001","90","","2050.76","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 N6 O6 -","- C46 H58 N6 O6 -","- C92 H116 N12 O12 -","2","0.5","","DeHaven, Baillie A.; Goodlett, Dustin W.; Sindt, Ammon J.; Noll, Niklas; De Vetta, Martina; Smith, Mark D.; Martin, Corey R.; González, Leticia; Shimizu, Linda S.","Enhancing the Stability of Photogenerated Benzophenone Triplet Radical Pairs through Supramolecular Assembly.","Journal of the American Chemical Society","2018","140","40","13064","13070","10.1021/jacs.8b08501","","x-ray","0.71073","MoKα","","0.059","0.0468","","","0.1229","0.1313","","","","","","1.045","","","","has coordinates","242939","2020-10-21","18:00:00",""
"4133096","19.855","0.002","5.3006","0.0006","15.6536","0.0018","90","","90","","90","","1647.4","0.3","100","2","100","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C37 H39 N3 O3 -","- C37 H39 N3 O3 -","- C74 H78 N6 O6 -","2","0.5","","DeHaven, Baillie A.; Goodlett, Dustin W.; Sindt, Ammon J.; Noll, Niklas; De Vetta, Martina; Smith, Mark D.; Martin, Corey R.; González, Leticia; Shimizu, Linda S.","Enhancing the Stability of Photogenerated Benzophenone Triplet Radical Pairs through Supramolecular Assembly.","Journal of the American Chemical Society","2018","140","40","13064","13070","10.1021/jacs.8b08501","","x-ray","0.71073","MoKα","","0.0891","0.0577","","","0.1156","0.1269","","","","","","1.057","","","","has coordinates","242940","2020-10-21","18:00:00",""
"4133097","6.0098","0.0003","7.2615","0.0003","27.0654","0.0011","93.947","0.001","90.405","0.001","91.11","0.001","1178.07","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H28 N2 O3 -","- C31 H28 N2 O3 -","- C62 H56 N4 O6 -","2","2","","DeHaven, Baillie A.; Goodlett, Dustin W.; Sindt, Ammon J.; Noll, Niklas; De Vetta, Martina; Smith, Mark D.; Martin, Corey R.; González, Leticia; Shimizu, Linda S.","Enhancing the Stability of Photogenerated Benzophenone Triplet Radical Pairs through Supramolecular Assembly.","Journal of the American Chemical Society","2018","140","40","13064","13070","10.1021/jacs.8b08501","","x-ray","0.71073","MoKα","","0.0868","0.056","","","0.1464","0.1642","","","","","","1.028","","","","has coordinates","242941","2020-10-21","18:00:00",""
"4133098","18.3453","0.0008","18.3453","0.0008","52.3638","0.0016","90","","90","","120","","15262","1.1","120","2","120.15","","","","","","","","","5","R -3 m :H","-R 3 2""","166","MFM-102-NH2","","","- C28 H14 Cu2 N2 O10 -","- C30 H14 Cu2 N2 O10 -","- C270 H126 Cu18 N18 O90 -","9","0.25","","Duong, Thien D.; Sapchenko, Sergey A.; da Silva, Ivan; Godfrey, Harry G. W.; Cheng, Yongqiang; Daemen, Luke L.; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Optimal Binding of Acetylene to a Nitro-Decorated Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","47","16006","16009","10.1021/jacs.8b08504","","","1.54184","CuKα","","0.0916","0.0836","","","0.2756","0.2895","","","","","","1.278","","","","has coordinates,has disorder","242942","2020-10-21","18:00:00",""
"4133099","18.3933","0.0006","18.3933","0.0006","52.3346","0.0018","90","","90","","120","","15333.4","0.9","120","2","120","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C28 H13 Cu2 N2 O14 -","- C28 H13 Cu2 N2 O14 -","- C252 H117 Cu18 N18 O126 -","9","0.25","","Duong, Thien D.; Sapchenko, Sergey A.; da Silva, Ivan; Godfrey, Harry G. W.; Cheng, Yongqiang; Daemen, Luke L.; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Optimal Binding of Acetylene to a Nitro-Decorated Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","47","16006","16009","10.1021/jacs.8b08504","","","1.54184","CuKα","","0.091","0.0857","","","0.3166","0.3301","","","","","","1.517","","","","has coordinates,has disorder","242943","2020-10-21","18:00:00",""
"4133100","33.633","0.003","10.3014","0.0011","33.059","0.003","90","","103.544","0.005","90","","11135.3","1.9","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 F20 N8 O2 P2 -","- C54 H52 F20 N8 O2 P2 -","- C432 H416 F160 N64 O16 P16 -","8","2","","Wang, Yuping; Cheng, Tao; Sun, Junling; Liu, Zhichang; Frasconi, Marco; Goddard, 3rd, William A; Stoddart, J. Fraser","Neighboring Component Effect in a Tri-stable [2]Rotaxane.","Journal of the American Chemical Society","2018","140","42","13827","13834","10.1021/jacs.8b08519","","","1.54178","CuKα","","0.1922","0.1162","","","0.2785","0.3297","","","","","","1.017","","","","has coordinates","242945","2020-10-21","18:00:00",""
"4133101","10.4011","0.0012","14.499","0.0017","15.8935","0.0018","77.913","0.006","75.424","0.006","84.359","0.006","2265.6","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H58 B Fe N6 O2 -","- C51 H58 B Fe N6 O2 -","- C102 H116 B2 Fe2 N12 O4 -","2","1","","Cheung, Pui Man; Burns, Kyle T.; Kwon, Yubin M.; Deshaye, Megan Y.; Aguayo, Kristopher J.; Oswald, Victoria F.; Seda, Takele; Zakharov, Lev N.; Kowalczyk, Tim; Gilbertson, John D.","Hemilabile Proton Relays and Redox Activity Lead to {FeNO} <sup>x</sup> and Significant Rate Enhancements in NO<sub>2</sub><sup>-</sup> Reduction.","Journal of the American Chemical Society","2018","140","49","17040","17050","10.1021/jacs.8b08520","","","1.54178","CuKα","","0.0588","0.0409","","","0.111","0.1149","","","","","","1.094","","","","has coordinates","242946","2020-10-21","18:00:00",""
"4133102","11.3063","0.0004","14.0433","0.0005","14.6725","0.0005","81.601","0.002","85.289","0.002","71.56","0.002","2184.75","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H58 B Fe N5 O -","- C51 H58 B Fe N5 O -","- C102 H116 B2 Fe2 N10 O2 -","2","1","","Cheung, Pui Man; Burns, Kyle T.; Kwon, Yubin M.; Deshaye, Megan Y.; Aguayo, Kristopher J.; Oswald, Victoria F.; Seda, Takele; Zakharov, Lev N.; Kowalczyk, Tim; Gilbertson, John D.","Hemilabile Proton Relays and Redox Activity Lead to {FeNO} <sup>x</sup> and Significant Rate Enhancements in NO<sub>2</sub><sup>-</sup> Reduction.","Journal of the American Chemical Society","2018","140","49","17040","17050","10.1021/jacs.8b08520","","","1.54178","CuKα","","0.0379","0.0355","","","0.0963","0.0976","","","","","","1.048","","","","has coordinates","242946","2020-10-21","18:00:00",""
"4133103","10.5114","0.0003","15.288","0.0004","17.6141","0.0005","71.067","0.002","76.115","0.002","72.057","0.001","2516.18","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H66 B Fe N6 O4 -","- C55 H66 B Fe N6 O4 -","- C110 H132 B2 Fe2 N12 O8 -","2","1","","Cheung, Pui Man; Burns, Kyle T.; Kwon, Yubin M.; Deshaye, Megan Y.; Aguayo, Kristopher J.; Oswald, Victoria F.; Seda, Takele; Zakharov, Lev N.; Kowalczyk, Tim; Gilbertson, John D.","Hemilabile Proton Relays and Redox Activity Lead to {FeNO} <sup>x</sup> and Significant Rate Enhancements in NO<sub>2</sub><sup>-</sup> Reduction.","Journal of the American Chemical Society","2018","140","49","17040","17050","10.1021/jacs.8b08520","","","1.54178","CuKα","","0.06","0.0543","","","0.1567","0.1616","","","","","","1.079","","","","has coordinates","242946","2020-10-21","18:00:00",""
"4133104","12.7147","0.0005","13.7514","0.0005","16.3476","0.0007","90","","108.215","0.004","90","","2715.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H38 Fe N4 O2 -","- C29 H38 Fe N4 O2 -","- C116 H152 Fe4 N16 O8 -","4","1","","Cheung, Pui Man; Burns, Kyle T.; Kwon, Yubin M.; Deshaye, Megan Y.; Aguayo, Kristopher J.; Oswald, Victoria F.; Seda, Takele; Zakharov, Lev N.; Kowalczyk, Tim; Gilbertson, John D.","Hemilabile Proton Relays and Redox Activity Lead to {FeNO} <sup>x</sup> and Significant Rate Enhancements in NO<sub>2</sub><sup>-</sup> Reduction.","Journal of the American Chemical Society","2018","140","49","17040","17050","10.1021/jacs.8b08520","","x-ray","0.71073","MoKα","","0.0426","0.0336","","","0.0865","0.0946","","","","","","1.055","","","","has coordinates,has disorder","242946","2020-10-21","18:00:00",""
"4133105","9.1431","0.0001","12.8888","0.0002","19.5058","0.0003","91.109","0.001","97.201","0.001","101.123","0.001","2235.43","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H58 B Fe N5 O2 -","- C51 H58 B Fe N5 O2 -","- C102 H116 B2 Fe2 N10 O4 -","2","1","","Cheung, Pui Man; Burns, Kyle T.; Kwon, Yubin M.; Deshaye, Megan Y.; Aguayo, Kristopher J.; Oswald, Victoria F.; Seda, Takele; Zakharov, Lev N.; Kowalczyk, Tim; Gilbertson, John D.","Hemilabile Proton Relays and Redox Activity Lead to {FeNO} <sup>x</sup> and Significant Rate Enhancements in NO<sub>2</sub><sup>-</sup> Reduction.","Journal of the American Chemical Society","2018","140","49","17040","17050","10.1021/jacs.8b08520","","x-ray","0.71073","MoKα","","0.0318","0.0284","","","0.0739","0.0759","","","","","","1.045","","","","has coordinates","242946","2020-10-21","18:00:00",""
"4133106","16.165","0.002","9.9467","0.0014","17.475","0.003","90","","95.499","0.003","90","","2796.8","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 Fe N4 O3 -","- C29 H38 Fe N4 O3 -","- C116 H152 Fe4 N16 O12 -","4","1","","Cheung, Pui Man; Burns, Kyle T.; Kwon, Yubin M.; Deshaye, Megan Y.; Aguayo, Kristopher J.; Oswald, Victoria F.; Seda, Takele; Zakharov, Lev N.; Kowalczyk, Tim; Gilbertson, John D.","Hemilabile Proton Relays and Redox Activity Lead to {FeNO} <sup>x</sup> and Significant Rate Enhancements in NO<sub>2</sub><sup>-</sup> Reduction.","Journal of the American Chemical Society","2018","140","49","17040","17050","10.1021/jacs.8b08520","","","0.71073","MoKα","","0.0418","0.0354","","","0.0914","0.0977","","","","","","1.04","","","","has coordinates","242946","2020-10-21","18:00:00",""
"4133107","19.5737","0.0003","51.8182","0.0007","14.2647","0.00017","90","","90.833","0.001","90","","14466.8","0.3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C99.45 H115.73 Cl12 N17.3 O5.48 Pd6 -","- C98.5 H103.325 Cl12 N17.31 O5.485 Pd6 -","- C394 H413.3 Cl48 N69.24 O21.94 Pd24 -","4","1","","Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko","Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition.","Journal of the American Chemical Society","2018","140","48","16610","16614","10.1021/jacs.8b08534","","","0.71073","MoKα","","0.1289","0.1085","","","0.242","0.2511","","","","","","1.172","","","","has coordinates,has disorder","242947","2020-10-21","18:00:00",""
"4133108","7.9169","0.0003","19.429","0.0009","7.3475","0.0003","90","","98.185","0.004","90","","1118.66","0.08","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","","Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko","Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition.","Journal of the American Chemical Society","2018","140","48","16610","16614","10.1021/jacs.8b08534","","","0.71073","MoKα","","0.042","0.0367","","","0.0964","0.0993","","","","","","1.078","","","","has coordinates","242948","2020-10-21","18:00:00",""
"4133109","19.5614","0.0005","51.55","0.002","14.2922","0.0004","90","","90.911","0.002","90","","14410.3","0.8","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C89.75 H96.62 Cl12 N14.87 O2 Pd6 -","- C89.74 H92.61 Cl12 N14.87 O2 Pd6 -","- C358.96 H370.44 Cl48 N59.48 O8 Pd24 -","4","1","","Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko","Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition.","Journal of the American Chemical Society","2018","140","48","16610","16614","10.1021/jacs.8b08534","","","0.71075","MoKα","","0.2288","0.1763","","","0.366","0.3914","","","","","","1.089","","","","has coordinates","242949","2020-10-21","18:00:00",""
"4133110","19.58634","0.00019","52.1165","0.0005","14.22037","0.00014","90","","91.446","0.001","90","","14511.1","0.2","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102.62 H103.47 Cl12 N17.69 O5.6 Pd6 -","- C102.64 H103.504 Cl12 N17.696 O5.604 Pd6 -","- C410.56 H414.016 Cl48 N70.784 O22.416 Pd24 -","4","1","","Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko","Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition.","Journal of the American Chemical Society","2018","140","48","16610","16614","10.1021/jacs.8b08534","","","0.71073","MoKα","","0.1209","0.1052","","","0.2312","0.2381","","","","","","1.185","","","","has coordinates,has disorder","242950","2020-10-21","18:00:00",""
"4133111","19.5974","0.0002","51.9761","0.0006","14.2421","0.00014","90","","90.977","0.001","90","","14504.8","0.3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C98.38 H114.46 Cl12 N16.83 O6 Pd6 -","- C96.45 H99.75 Cl12 N16.86 O6 Pd6 -","- C385.8 H399 Cl48 N67.44 O24 Pd24 -","4","1","","Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko","Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition.","Journal of the American Chemical Society","2018","140","48","16610","16614","10.1021/jacs.8b08534","","","0.71073","MoKα","","0.1065","0.0948","","","0.2199","0.2259","","","","","","1.161","","","","has coordinates,has disorder","242951","2020-10-21","18:00:00",""
"4133112","19.6067","0.0004","51.7809","0.0013","14.2567","0.0003","90","","90.818","0.002","90","","14472.7","0.6","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C93.05 H109.57 Cl12 N16.53 O6 Pd6 -","- C93.02 H97.53 Cl12 N16.51 O6 Pd6 -","- C372.08 H390.12 Cl48 N66.04 O24 Pd24 -","4","1","","Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko","Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition.","Journal of the American Chemical Society","2018","140","48","16610","16614","10.1021/jacs.8b08534","","","0.71075","MoKα","","0.1793","0.1544","","","0.3196","0.3302","","","","","","1.177","","","","has coordinates","242952","2020-10-21","18:00:00",""
"4133113","19.548","0.0002","51.5698","0.0008","14.2643","0.00015","90","","90.991","0.001","90","","14377.5","0.3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91.55 H103.3 Cl12 N15.77 O3.99 Pd6 -","- C91.56 H95.34 Cl12 N15.78 O3.99 Pd6 -","- C366.24 H381.36 Cl48 N63.12 O15.96 Pd24 -","4","1","","Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko","Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition.","Journal of the American Chemical Society","2018","140","48","16610","16614","10.1021/jacs.8b08534","","","0.71075","MoKα","","0.1824","0.1637","","","0.3404","0.3501","","","","","","1.153","","","","has coordinates","242953","2020-10-21","18:00:00",""
"4133114","9.445","0.006","17.635","0.011","12.818","0.009","90","","100.343","0.018","90","","2100","2","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H65 N O2 -","- C48 H65 N O2 -","- C96 H130 N2 O4 -","2","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0622","0.0449","","","0.1115","0.1227","","","","","","1.049","","","","has coordinates","242954","2020-10-21","18:00:00",""
"4133115","10.9104","0.0004","11.69","0.0004","19.0142","0.0007","84.791","0.001","89.599","0.001","64.421","0.001","2177","0.14","102.64","","102.64","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H58 F12 N2 O Sb2 -","- C37 H58 F12 N2 O Sb2 -","- C74 H116 F24 N4 O2 Sb4 -","2","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0284","0.0243","","","0.0576","0.0593","","","","","","1.067","","","","has coordinates,has disorder","242955","2020-10-21","18:00:00",""
"4133116","21.146","0.01","10.812","0.005","21.727","0.014","90","","113.97","0.03","90","","4539","4","150.07","","150.07","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cl2 F12 N2 O3 Sb2 -","- C42 H42 Cl2 F12 N2 O3 Sb2 -","- C168 H168 Cl8 F48 N8 O12 Sb8 -","4","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.1219","0.0618","","","0.105","0.1232","","","","","","1.015","","","","has coordinates","242956","2020-10-21","18:00:00",""
"4133117","15.9767","0.0014","14.0442","0.0012","18.0755","0.0012","90","","112.971","0.002","90","","3734.2","0.5","149.95","","149.95","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H49 Cl3 N2 O3 -","- C38 H49 Cl3 N2 O3 -","- C152 H196 Cl12 N8 O12 -","4","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0588","0.0423","","","0.1032","0.1136","","","","","","1.035","","","","has coordinates","242957","2020-10-21","18:00:00",""
"4133118","16.5937","0.0015","18.4373","0.0017","19.3881","0.0018","90","","90","","90","","5931.7","0.9","99.99","","99.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H38 N2 O -","- C38 H38 N2 O -","- C304 H304 N16 O8 -","8","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0962","0.0567","","","0.1261","0.1437","","","","","","1.04","","","","has coordinates","242958","2020-10-21","18:00:00",""
"4133119","16.3993","0.0004","10.4714","0.0003","21.894","0.0006","90","","108.739","0.001","90","","3560.42","0.17","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H55 F6 N O Sb -","- C35 H55 F6 N O Sb -","- C140 H220 F24 N4 O4 Sb4 -","4","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.56086","AgKα","","0.0601","0.0527","","","0.1239","0.1283","","","","","","1.132","","","","has coordinates,has disorder","242959","2020-10-21","18:00:00",""
"4133120","11.107","0.0007","11.9674","0.0012","13.1084","0.0011","100.218","0.004","106.913","0.002","101.637","0.004","1580.1","0.2","149.95","","149.95","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H47 N O -","- C39 H47 N O -","- C78 H94 N2 O2 -","2","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0504","0.0449","","","0.1263","0.1316","","","","","","1.038","","","","has coordinates","242960","2020-10-21","18:00:00",""
"4133121","10.6399","0.0005","16.1527","0.0007","18.8284","0.0009","90","","104.567","0.002","90","","3131.9","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H55 N O -","- C35 H55 N O -","- C140 H220 N4 O4 -","4","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.051","0.0417","","","0.1112","0.1175","","","","","","1.047","","","","has coordinates","242961","2020-10-21","18:00:00",""
"4133122","29.162","0.002","37.089","0.003","21.3845","0.0016","90","","128.754","0.002","90","","18037","2","149.93","","149.93","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H44 N2 O -","- C34 H44 N2 O -","- C816 H1056 N48 O24 -","24","6","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0702","0.0503","","","0.136","0.1503","","","","","","1.028","","","","has coordinates","242962","2020-10-21","18:00:00",""
"4133123","16.9545","0.0014","8.8519","0.0009","20.4216","0.0019","90","","96.701","0.004","90","","3043.9","0.5","150.02","","150.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 N2 O -","- C34 H46 N2 O -","- C136 H184 N8 O4 -","4","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0566","0.0492","","","0.1357","0.1427","","","","","","1.038","","","","has coordinates,has disorder","242963","2020-10-21","18:00:00",""
"4133124","9.091","0.007","13.501","0.01","24.173","0.017","90","","92.202","0.009","90","","2965","4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","GaRhOPh","GaRhOPh","","- C33 H35 Ga N7 O Rh -","- C33 H35 Ga N7 O Rh -","- C132 H140 Ga4 N28 O4 Rh4 -","4","1","","Desai, Sai Puneet; Ye, Jingyun; Zheng, Jian; Ferrandon, Magali S.; Webber, Thomas E.; Platero-Prats, Ana E; Duan, Jiaxin; Garcia-Holley, Paula; Camaioni, Donald M.; Chapman, Karena W.; Delferro, Massimiliano; Farha, Omar K.; Fulton, John L.; Gagliardi, Laura; Lercher, Johannes A.; Penn, R. Lee; Stein, Andreas; Lu, Connie C.","Well-Defined Rhodium-Gallium Catalytic Sites in a Metal-Organic Framework: Promoter-Controlled Selectivity in Alkyne Semihydrogenation to E-Alkenes.","Journal of the American Chemical Society","2018","140","45","15309","15318","10.1021/jacs.8b08550","","","0.71073","MoKα","","0.0406","0.0292","","","0.0634","0.0687","","","","","","1.029","","","","has coordinates,has disorder","242964","2020-10-21","18:00:00",""
"4133125","9.896","0.006","14.132","0.008","29.945","0.017","95.787","0.007","92.199","0.007","100.755","0.006","4086","4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","monoRh","monoRh","","- C29 H36 N7 O Rh -","- C29 H36 N7 O Rh -","- C174 H216 N42 O6 Rh6 -","6","3","","Desai, Sai Puneet; Ye, Jingyun; Zheng, Jian; Ferrandon, Magali S.; Webber, Thomas E.; Platero-Prats, Ana E; Duan, Jiaxin; Garcia-Holley, Paula; Camaioni, Donald M.; Chapman, Karena W.; Delferro, Massimiliano; Farha, Omar K.; Fulton, John L.; Gagliardi, Laura; Lercher, Johannes A.; Penn, R. Lee; Stein, Andreas; Lu, Connie C.","Well-Defined Rhodium-Gallium Catalytic Sites in a Metal-Organic Framework: Promoter-Controlled Selectivity in Alkyne Semihydrogenation to E-Alkenes.","Journal of the American Chemical Society","2018","140","45","15309","15318","10.1021/jacs.8b08550","","","0.71073","MoKα","","0.0501","0.0357","","","0.0801","0.0861","","","","","","0.967","","","","has coordinates","242964","2020-10-21","18:00:00",""
"4133126","19.294","0.0008","12.8245","0.0005","19.7857","0.0008","90","","90","","90","","4895.7","0.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","GaRhCl","GaRhCl","","- C22 H26 Cl3 Ga N7 Rh -","- C22 H26 Cl3 Ga N7 Rh -","- C176 H208 Cl24 Ga8 N56 Rh8 -","8","1","","Desai, Sai Puneet; Ye, Jingyun; Zheng, Jian; Ferrandon, Magali S.; Webber, Thomas E.; Platero-Prats, Ana E; Duan, Jiaxin; Garcia-Holley, Paula; Camaioni, Donald M.; Chapman, Karena W.; Delferro, Massimiliano; Farha, Omar K.; Fulton, John L.; Gagliardi, Laura; Lercher, Johannes A.; Penn, R. Lee; Stein, Andreas; Lu, Connie C.","Well-Defined Rhodium-Gallium Catalytic Sites in a Metal-Organic Framework: Promoter-Controlled Selectivity in Alkyne Semihydrogenation to E-Alkenes.","Journal of the American Chemical Society","2018","140","45","15309","15318","10.1021/jacs.8b08550","","","0.71073","MoKα","","0.0325","0.0243","","","0.0551","0.06","","","","","","1.052","","","","has coordinates,has disorder","242964","2020-10-21","18:00:00",""
"4133127","17.4625","0.0007","12.5659","0.0005","20.6692","0.0009","90","","90","","90","","4535.5","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","GaRhMe","GaRhMe","","- C23 H28.5 Ga N7.5 Rh -","- C23 H28.5 Ga N7.5 Rh -","- C184 H228 Ga8 N60 Rh8 -","8","1","","Desai, Sai Puneet; Ye, Jingyun; Zheng, Jian; Ferrandon, Magali S.; Webber, Thomas E.; Platero-Prats, Ana E; Duan, Jiaxin; Garcia-Holley, Paula; Camaioni, Donald M.; Chapman, Karena W.; Delferro, Massimiliano; Farha, Omar K.; Fulton, John L.; Gagliardi, Laura; Lercher, Johannes A.; Penn, R. Lee; Stein, Andreas; Lu, Connie C.","Well-Defined Rhodium-Gallium Catalytic Sites in a Metal-Organic Framework: Promoter-Controlled Selectivity in Alkyne Semihydrogenation to E-Alkenes.","Journal of the American Chemical Society","2018","140","45","15309","15318","10.1021/jacs.8b08550","","","0.71073","MoKα","","0.0219","0.0187","","","0.0445","0.0458","","","","","","1.051","","","","has coordinates,has disorder","242964","2020-10-21","18:00:00",""
"4133128","8.842","0.004","22.611","0.008","18.333","0.008","90","","103.081","0.019","90","","3570","3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Rh(OPh)diphenylacetylene","Rh(OPh)diphenylacetylene","","- C41 H42 N7 O Rh -","- C41 H42 N7 O Rh -","- C164 H168 N28 O4 Rh4 -","4","1","","Desai, Sai Puneet; Ye, Jingyun; Zheng, Jian; Ferrandon, Magali S.; Webber, Thomas E.; Platero-Prats, Ana E; Duan, Jiaxin; Garcia-Holley, Paula; Camaioni, Donald M.; Chapman, Karena W.; Delferro, Massimiliano; Farha, Omar K.; Fulton, John L.; Gagliardi, Laura; Lercher, Johannes A.; Penn, R. Lee; Stein, Andreas; Lu, Connie C.","Well-Defined Rhodium-Gallium Catalytic Sites in a Metal-Organic Framework: Promoter-Controlled Selectivity in Alkyne Semihydrogenation to E-Alkenes.","Journal of the American Chemical Society","2018","140","45","15309","15318","10.1021/jacs.8b08550","","","0.71073","MoKα","","0.0793","0.0428","","","0.0666","0.076","","","","","","1.046","","","","has coordinates","242964","2020-10-21","18:00:00",""
"4133129","31.9639","0.0007","19.6929","0.0003","18.4105","0.0004","90","","108.64","0.002","90","","10980.8","0.4","85","2","85","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2-OAc","[Fe2((Py2PhO2)MP)(OAc)2](CoCp2)","","- C51 H53 Cl4 Co Fe2 N4 O7 -","- C51 H53 Cl4 Co Fe2 N4 O7 -","- C408 H424 Cl32 Co8 Fe16 N32 O56 -","8","1","","Dong, Hai T.; White, Corey J.; Zhang, Bo; Krebs, Carsten; Lehnert, Nicolai","Non-Heme Diiron Model Complexes Can Mediate Direct NO Reduction: Mechanistic Insight into Flavodiiron NO Reductases.","Journal of the American Chemical Society","2018","140","41","13429","13440","10.1021/jacs.8b08567","","","1.54178","CuKα","","0.0668","0.0553","","","0.15","0.1615","","","","","","1.019","","","","has coordinates,has disorder","242965","2020-10-21","18:00:00",""
"4133130","13.9343","0.0003","5.64024","0.00015","10.3593","0.0003","90","","90","","90","","814.17","0.04","293","","293","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H6 Cl2 N2 -","- C8 H6 Cl2 N2 -","- C32 H24 Cl8 N8 -","4","1","","Liu, Huiyu; Zhang, Weiguo; Halasyamani, P. Shiv; Stokes, Harold T.; Campbell, Branton J.; Evans, John S. O.; Evans, Ivana Radosavljevic","Understanding the Behavior of the Above-Room-Temperature Molecular Ferroelectric 5,6-Dichloro-2-methylbenzimidazole Using Symmetry Adapted Distortion Mode Analysis.","Journal of the American Chemical Society","2018","140","41","13441","13448","10.1021/jacs.8b08591","","","0.71073","MoKα","","0.03","0.0272","","0.0488","0.0456","0.0456","","","","","","1","","","","has coordinates","242966","2020-10-21","18:00:00",""
"4133131","10.242","0.0002","11.6419","0.0002","23.9124","0.0005","90","","102.025","0.001","90","","2788.66","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(η^2^,η^2^-Tetraphenylcyclopentadienone)-tricarbonyl-iron methylene chloride solvate","","- C33 H22 Cl2 Fe O4 -","- C33 H22 Cl2 Fe O4 -","- C132 H88 Cl8 Fe4 O16 -","4","1","","Lehnherr, Dan; Ji, Yining; Neel, Andrew J.; Cohen, Ryan D.; Brunskill, Andrew P. J.; Yang, Junyu; Reibarkh, Mikhail","Discovery of a Photoinduced Dark Catalytic Cycle Using in Situ LED-NMR Spectroscopy.","Journal of the American Chemical Society","2018","140","42","13843","13853","10.1021/jacs.8b08596","","","1.54178","CuKα","","0.0317","0.0302","","","0.0769","0.0779","","","","","","1.04","","","","has coordinates","242967","2020-10-21","18:00:00",""
"4133132","8.9859","0.0001","10.7111","0.0001","12.6455","0.0002","80.524","0.001","74.47","0.001","72.238","0.001","1112.21","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 N O5 S -","- C24 H29 N O5 S -","- C48 H58 N2 O10 S2 -","2","1","","Wu, Xiangyu; Hao, Wei; Ye, Ke-Yin; Jiang, Binyang; Pombar, Gisselle; Song, Zhidong; Lin, Song","Ti-Catalyzed Radical Alkylation of Secondary and Tertiary Alkyl Chlorides Using Michael Acceptors.","Journal of the American Chemical Society","2018","140","44","14836","14843","10.1021/jacs.8b08605","","x-ray","1.54184","CuKα","","0.0365","0.0354","","","0.098","0.0991","","","","","","1.075","","","","has coordinates,has disorder","242968","2020-10-21","18:00:00",""
"4133133","8.185","0.0003","19.0335","0.0007","14.056","0.0006","90","","101.603","0.003","90","","2145.02","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N4 O4 -","- C24 H20 N4 O4 -","- C96 H80 N16 O16 -","4","1","","Zhang, Rui; Peterson, Joshua P.; Fischer, Logan J.; Ellern, Arkady; Winter, Arthur H.","Effect of Structure on the Spin-Spin Interactions of Tethered Dicyanomethyl Diradicals.","Journal of the American Chemical Society","2018","140","43","14308","14313","10.1021/jacs.8b08628","","","1.54178","CuKα","","0.0585","0.0404","","","0.0986","0.1099","","","","","","1.012","","","","has coordinates","242969","2020-10-21","18:00:00",""
"4133134","9.0474","0.0002","17.4635","0.0004","7.6236","0.0002","90","","111.407","0.001","90","","1121.42","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","- C48 H44 N8 O12 -","2","0.5","","Zhang, Rui; Peterson, Joshua P.; Fischer, Logan J.; Ellern, Arkady; Winter, Arthur H.","Effect of Structure on the Spin-Spin Interactions of Tethered Dicyanomethyl Diradicals.","Journal of the American Chemical Society","2018","140","43","14308","14313","10.1021/jacs.8b08628","","","1.54178","CuKα","","0.0368","0.0366","","","0.0954","0.0957","","","","","","1.05","","","","has coordinates","242970","2020-10-21","18:00:00",""
"4133135","12.5991","0.0006","12.6108","0.0006","16.3357","0.0007","88.513","0.002","87.106","0.002","81.009","0.002","2559.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 N2 O8 S4 Zn2 -","- C32 H22 N2 O8 S4 Zn2 -","- C64 H44 N4 O16 S8 Zn4 -","2","1","","Zhu, Ai-Xin; Yang, Qing-Yuan; Kumar, Amrit; Crowley, Clare; Mukherjee, Soumya; Chen, Kai-Jie; Wang, Shi-Qiang; O Nolan, Daniel; Shivanna, Mohana; Zaworotko, Michael J.","Coordination Network That Reversibly Switches between Two Nonporous Polymorphs and a High Surface Area Porous Phase.","Journal of the American Chemical Society","2018","140","46","15572","15576","10.1021/jacs.8b08642","","","1.54178","CuKα","","0.0795","0.0771","","","0.194","0.1955","","","","","","1.032","","","","has coordinates,has disorder","242971","2020-10-21","18:00:00",""
"4133136","16.408","0.003","9.176","0.002","22.573","0.005","90","","90","","90","","3398.6","1.2","100","2","100","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C32 H22 N2 O8 S4 Zn2 -","- C32 H22 N2 O8 S4 Zn2 -","- C128 H88 N8 O32 S16 Zn8 -","4","0.25","","Zhu, Ai-Xin; Yang, Qing-Yuan; Kumar, Amrit; Crowley, Clare; Mukherjee, Soumya; Chen, Kai-Jie; Wang, Shi-Qiang; O Nolan, Daniel; Shivanna, Mohana; Zaworotko, Michael J.","Coordination Network That Reversibly Switches between Two Nonporous Polymorphs and a High Surface Area Porous Phase.","Journal of the American Chemical Society","2018","140","46","15572","15576","10.1021/jacs.8b08642","","","1.54178","CuKα","","0.149","0.099","","","0.2366","0.2681","","","","","","1.073","","","","has coordinates","242971","2020-10-21","18:00:00",""
"4133137","8.7483","0.0007","16.381","0.0012","23.7451","0.0016","90","","90","","90","","3402.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H22 N2 O8 S4 Zn2 -","- C32 H22 N2 O8 S4 Zn2 -","- C128 H88 N8 O32 S16 Zn8 -","4","0.5","","Zhu, Ai-Xin; Yang, Qing-Yuan; Kumar, Amrit; Crowley, Clare; Mukherjee, Soumya; Chen, Kai-Jie; Wang, Shi-Qiang; O Nolan, Daniel; Shivanna, Mohana; Zaworotko, Michael J.","Coordination Network That Reversibly Switches between Two Nonporous Polymorphs and a High Surface Area Porous Phase.","Journal of the American Chemical Society","2018","140","46","15572","15576","10.1021/jacs.8b08642","","","1.54178","CuKα","","0.1314","0.0762","","","0.172","0.2003","","","","","","1.065","","","","has coordinates,has disorder","242971","2020-10-21","18:00:00",""
"4133138","21.1019","0.0007","7.5385","0.0002","27.224","0.0008","90","","111.514","0.004","90","","4029","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 Br N6 O2 -","- C20 H21 Br N6 O2 -","- C160 H168 Br8 N48 O16 -","8","2","","Kokan, Zoran; Chmielewski, Michał J","A Photoswitchable Heteroditopic Ion-Pair Receptor.","Journal of the American Chemical Society","2018","140","47","16010","16014","10.1021/jacs.8b08689","","x-ray","1.54184","CuKα","","0.0466","0.0358","","","0.0862","0.0931","","","","","","1.028","","","","has coordinates","242972","2020-10-21","18:00:00",""
"4133139","16.4964","0.0002","20.5023","0.0003","5.05085","0.00007","90","","90","","90","","1708.27","0.04","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H17 N5 O2 -","- C20 H17 N5 O2 -","- C80 H68 N20 O8 -","4","1","","Kokan, Zoran; Chmielewski, Michał J","A Photoswitchable Heteroditopic Ion-Pair Receptor.","Journal of the American Chemical Society","2018","140","47","16010","16014","10.1021/jacs.8b08689","","x-ray","1.54184","CuKα","","0.0312","0.0287","","","0.0717","0.0733","","","","","","1.056","","","","has coordinates","242973","2020-10-21","18:00:00",""
"4133140","10.1486","0.0004","10.7029","0.0005","11.017","0.0005","78.363","0.004","81.711","0.004","62.2","0.004","1035.05","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 I N6 O2 -","- C20 H21 I N6 O2 -","- C40 H42 I2 N12 O4 -","2","1","","Kokan, Zoran; Chmielewski, Michał J","A Photoswitchable Heteroditopic Ion-Pair Receptor.","Journal of the American Chemical Society","2018","140","47","16010","16014","10.1021/jacs.8b08689","","x-ray","1.54184","CuKα","","0.0238","0.0228","","","0.0576","0.0587","","","","","","1.048","","","","has coordinates","242974","2020-10-21","18:00:00",""
"4133141","7.44527","0.00012","9.34308","0.00012","30.9935","0.0005","90","","94.8031","0.0015","90","","2148.39","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N5 O2 -","- C20 H17 N5 O2 -","- C80 H68 N20 O8 -","4","1","","Kokan, Zoran; Chmielewski, Michał J","A Photoswitchable Heteroditopic Ion-Pair Receptor.","Journal of the American Chemical Society","2018","140","47","16010","16014","10.1021/jacs.8b08689","","x-ray","1.54184","CuKα","","0.0527","0.0513","","","0.1242","0.1249","","","","","","1.165","","","","has coordinates","242975","2020-10-21","18:00:00",""
"4133142","7.4234","0.0005","18.5015","0.001","14.8435","0.0008","90","","91.626","0.005","90","","2037.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cl Li N5 O6 -","- C20 H17 Cl Li N5 O6 -","- C80 H68 Cl4 Li4 N20 O24 -","4","1","","Kokan, Zoran; Chmielewski, Michał J","A Photoswitchable Heteroditopic Ion-Pair Receptor.","Journal of the American Chemical Society","2018","140","47","16010","16014","10.1021/jacs.8b08689","","x-ray","1.54184","CuKα","","0.1009","0.0546","","","0.112","0.1363","","","","","","1.011","","","","has coordinates","242976","2020-10-21","18:00:00",""
"4133143","10.4474","0.0004","14.5733","0.0004","13.6575","0.0004","90","","91.382","0.003","90","","2078.79","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 I K N5 O2 -","- C20 H17 I K N5 O2 -","- C80 H68 I4 K4 N20 O8 -","4","1","","Kokan, Zoran; Chmielewski, Michał J","A Photoswitchable Heteroditopic Ion-Pair Receptor.","Journal of the American Chemical Society","2018","140","47","16010","16014","10.1021/jacs.8b08689","","x-ray","1.54184","CuKα","","0.0618","0.0565","","","0.1482","0.1512","","","","","","1.11","","","","has coordinates","242977","2020-10-21","18:00:00",""
"4133144","6.8614","0.0002","19.3391","0.0006","15.0522","0.0004","90","","98.006","0.003","90","","1977.86","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 I N5 Na O2 -","- C20 H17 I N5 Na O2 -","- C80 H68 I4 N20 Na4 O8 -","4","1","","Kokan, Zoran; Chmielewski, Michał J","A Photoswitchable Heteroditopic Ion-Pair Receptor.","Journal of the American Chemical Society","2018","140","47","16010","16014","10.1021/jacs.8b08689","","x-ray","1.54184","CuKα","","0.0394","0.0301","","","0.0715","0.0757","","","","","","1.004","","","","has coordinates","242978","2020-10-21","18:00:00",""
"4133145","10.536","0.002","12.415","0.002","16.43","0.003","90","","96.77","0.03","90","","2134.1","0.7","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C6 H16 Br4 N2 Pb -","- C6 H16 Br4 N2 Pb -","- C36 H96 Br24 N12 Pb6 -","6","3","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.137","0.0575","","","0.1332","0.1807","","","","","","0.862","","","","has coordinates","242980","2020-10-21","18:00:00",""
"4133146","6.2455","0.0004","16.8901","0.001","20.1013","0.0011","73.597","0.003","84.96","0.003","88.793","0.003","2026.2","0.2","250","2","249.96","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H48 Br10 N6 Pb2 -","- C18 H48 Br10 N6 Pb2 -","- C36 H96 Br20 N12 Pb4 -","2","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.0441","0.0315","","","0.0847","0.0951","","","","","","0.971","","","","has coordinates","242981","2020-10-21","18:00:00",""
"4133147","28.452","0.006","12.218","0.002","15.839","0.003","90","","104.93","0.03","90","","5320.2","1.9","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C5 H14 Br4 N2 Pb -","- C5 H14 Br4 N2 Pb -","- C80 H224 Br64 N32 Pb16 -","16","2","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.0914","0.0566","","","0.1289","0.1467","","","","","","1.053","","","","has coordinates","242982","2020-10-21","18:00:00",""
"4133148","17.745","0.004","10.235","0.002","7.8299","0.0016","90","","90","","90","","1422.1","0.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H16 Br3.97 N2 Pb -","- C6 H16 Br3.969 N2 Pb -","- C24 H64 Br15.876 N8 Pb4 -","4","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.0559","0.0452","","","0.1156","0.1284","","","","","","1.06","","","","has coordinates,has disorder","242983","2020-10-21","18:00:00",""
"4133149","16.55","0.003","39.66","0.008","7.9623","0.0016","90","","90","0.03","90","","5226.2","1.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H16 Br3 N Pb -","- C7 H16 Br3 N Pb -","- C112 H256 Br48 N16 Pb16 -","16","4","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.1588","0.0921","","","0.267","0.3147","","","","","","1.044","","","","has coordinates","242984","2020-10-21","18:00:00",""
"4133150","45.062","0.009","9.5432","0.0019","15.205","0.003","90","","97.92","0.03","90","","6476","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H28 Br10 N4 Pb3 -","- C10 H28 Br10 N4 Pb3 -","- C80 H224 Br80 N32 Pb24 -","8","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.1231","0.0662","","","0.1497","0.1736","","","","","","1.03","","","","has coordinates","242985","2020-10-21","18:00:00",""
"4133151","7.9457","0.0004","16.1647","0.0009","37.86","0.002","90","","89.999","0.001","90","","4862.7","0.4","250","2","249.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H14 Br3 N Pb -","- C6 H14 Br3 N Pb -","- C96 H224 Br48 N16 Pb16 -","16","8","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.1117","0.05","","","0.1378","0.1639","","","","","","1.101","","","","has coordinates","242986","2020-10-21","18:00:00",""
"4133152","11.9001","0.0002","13.9565","0.0003","15.9207","0.0003","69.733","0.002","69.229","0.002","78.64","0.002","2310.95","0.09","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C44 H38 F6 N6 O2 P2 Ru S2 -","- C44 H38 F6 N6 O2 P2 Ru S2 -","- C88 H76 F12 N12 O4 P4 Ru2 S4 -","2","1","","Woods, Joshua J.; Cao, Jian; Lippert, Alexander R.; Wilson, Justin J.","Characterization and Biological Activity of a Hydrogen Sulfide-Releasing Red Light-Activated Ruthenium(II) Complex.","Journal of the American Chemical Society","2018","140","39","12383","12387","10.1021/jacs.8b08695","","x-ray","1.54184","CuKα","","0.0498","0.0445","","","0.1211","0.1258","","","","","","1.026","","","","has coordinates","242987","2020-10-21","18:00:00",""
"4133153","14.3442","0.0006","13.0303","0.0005","21.5769","0.0009","90","","90","","90","","4032.9","0.3","223","2","223.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C33 H52 Ba Cl N5 O14 -","- C33 H52 Ba Cl N5 O14 -","- C132 H208 Ba4 Cl4 N20 O56 -","4","1","","Thiele, Nikki A.; MacMillan, Samantha N.; Wilson, Justin J.","Rapid Dissolution of BaSO<sub>4</sub> by Macropa, an 18-Membered Macrocycle with High Affinity for Ba<sup>2</sup>.","Journal of the American Chemical Society","2018","140","49","17071","17078","10.1021/jacs.8b08704","","","0.71073","MoKα","","0.0574","0.0347","","","0.0642","0.0706","","","","","","1.06","","","","has coordinates,has disorder","242988","2020-10-21","18:00:00",""
"4133154","18.3741","0.00008","15.68602","0.00006","28.35948","0.00011","90","","92.4109","0.0004","90","","8166.44","0.06","100","0.1","100","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35 H51 Ba Cl N6 O13 -","- C35 H51 Ba Cl N6 O13 -","- C280 H408 Ba8 Cl8 N48 O104 -","8","1","","Thiele, Nikki A.; MacMillan, Samantha N.; Wilson, Justin J.","Rapid Dissolution of BaSO<sub>4</sub> by Macropa, an 18-Membered Macrocycle with High Affinity for Ba<sup>2</sup>.","Journal of the American Chemical Society","2018","140","49","17071","17078","10.1021/jacs.8b08704","","x-ray","1.54184","CuKα","","0.0273","0.0264","","","0.07","0.0705","","","","","","1.036","","","","has coordinates,has disorder","242988","2020-10-21","18:00:00",""
"4133155","28.8306","0.0001","21.5132","0.0001","13.926","0.0001","90","","90","","90","","8637.44","0.08","100","0.1","100","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C32 H56 Ba N4 O21 S2 -","- C32 H56 Ba N4 O21 S2 -","- C256 H448 Ba8 N32 O168 S16 -","8","0.5","","Thiele, Nikki A.; MacMillan, Samantha N.; Wilson, Justin J.","Rapid Dissolution of BaSO<sub>4</sub> by Macropa, an 18-Membered Macrocycle with High Affinity for Ba<sup>2</sup>.","Journal of the American Chemical Society","2018","140","49","17071","17078","10.1021/jacs.8b08704","","x-ray","1.54184","CuKα","","0.0144","0.0142","","","0.0374","0.0375","","","","","","1.133","","","","has coordinates","242988","2020-10-21","18:00:00",""
"4133156","8.0992","0.0003","9.9826","0.0003","10.9592","0.0004","94.4146","0.0012","93.3668","0.0012","110.814","0.0011","822.25","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N Si -","- C19 H23 N Si -","- C38 H46 N2 Si2 -","2","1","","Zhang, Jianbo; Park, Sehoon; Chang, Sukbok","Catalytic Access to Bridged Sila- N-heterocycles from Piperidines via Cascade sp<sup>3</sup> and sp<sup>2</sup> C-Si Bond Formation.","Journal of the American Chemical Society","2018","140","41","13209","13213","10.1021/jacs.8b08733","","","0.71073","MoKα","","0.0553","0.0404","","","0.1069","0.1144","","","","","","1.045","","","","has coordinates","242990","2020-10-21","18:00:00",""
"4133157","8.6064","0.0012","11.501","0.0017","12.8161","0.0018","71.48","0.005","71.156","0.005","69.281","0.005","1092.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N Si -","- C26 H29 N Si -","- C52 H58 N2 Si2 -","2","1","","Zhang, Jianbo; Park, Sehoon; Chang, Sukbok","Catalytic Access to Bridged Sila- N-heterocycles from Piperidines via Cascade sp<sup>3</sup> and sp<sup>2</sup> C-Si Bond Formation.","Journal of the American Chemical Society","2018","140","41","13209","13213","10.1021/jacs.8b08733","","","0.71073","MoKα","","0.052","0.0431","","","0.1184","0.126","","","","","","1.031","","","","has coordinates","242992","2020-10-21","18:00:00",""
"4133158","8.3674","0.0004","9.8239","0.0005","10.5168","0.0005","84.3339","0.0017","89.5971","0.0018","71.2191","0.0017","814.18","0.07","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 F N Si -","- C19 H22 F N Si -","- C38 H44 F2 N2 Si2 -","2","1","","Zhang, Jianbo; Park, Sehoon; Chang, Sukbok","Catalytic Access to Bridged Sila- N-heterocycles from Piperidines via Cascade sp<sup>3</sup> and sp<sup>2</sup> C-Si Bond Formation.","Journal of the American Chemical Society","2018","140","41","13209","13213","10.1021/jacs.8b08733","","","0.71073","MoKα","","0.0409","0.0354","","","0.0907","0.0944","","","","","","1.037","","","","has coordinates","242993","2020-10-21","18:00:00",""
"4133159","17.8832","0.0019","9.1254","0.001","23.86","0.003","90","","104.659","0.0019","90","","3767","0.7","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 Cr2 I2 O8 Si2 -","- C24 H54 Cr2 I2 O8 Si2 -","- C96 H216 Cr8 I8 O32 Si8 -","4","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0661","0.0398","","","0.0793","0.088","","","","","","1.054","","","","has coordinates,has disorder","242995","2020-10-21","18:00:00",""
"4133160","8.3985","0.0002","12.6561","0.0004","15.8544","0.0004","90","","92.0756","0.0013","90","","1684.09","0.08","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Cl2 Cr I O3 -","- C12 H24 Cl2 Cr I O3 -","- C48 H96 Cl8 Cr4 I4 O12 -","4","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0361","0.0312","","","0.0896","0.0926","","","","","","1.07","","","","has coordinates","242996","2020-10-21","18:00:00",""
"4133161","10.496","0.0009","17.3331","0.0014","10.989","0.0009","90","","96.7186","0.0012","90","","1985.5","0.3","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H70 Cr N2 O8 Si2 -","- C30 H70 Cr N2 O8 Si2 -","- C60 H140 Cr2 N4 O16 Si4 -","2","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0462","0.0382","","","0.0766","0.081","","","","","","1.016","","","","has coordinates","242997","2020-10-21","18:00:00",""
"4133162","13.319","0.0008","13.6739","0.0008","21.8226","0.0013","80.7633","0.0009","80.5611","0.0009","62.7355","0.0009","3468.4","0.4","100.1","","100.1","","","","","","","","","6","P -1","-P 1","2","","","","- C49.5 H111.5 Cr2 I O16 Si4 -","- C49.5 H111.5 Cr2 I O16 Si4 -","- C99 H223 Cr4 I2 O32 Si8 -","2","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0453","0.0339","","","0.0964","0.1144","","","","","","1.132","","","","has coordinates,has disorder","242998","2020-10-21","18:00:00",""
"4133163","9.2746","0.0013","14.813","0.002","17.529","0.002","82.759","0.002","87.291","0.002","73.148","0.002","2286.3","0.5","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H73 Cr I N2 O8 Si2 -","- C33 H73 Cr I N2 O8 Si2 -","- C66 H146 Cr2 I2 N4 O16 Si4 -","2","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0537","0.0309","","","0.068","0.0806","","","","","","1.044","","","","has coordinates","242999","2020-10-21","18:00:00",""
"4133164","27.7924","0.0018","9.4487","0.0006","42.685","0.003","90","","101.37","0.001","90","","10989.2","1.3","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43.75 H77 Cr I2 N2 O8 Si2 -","- C43.75 H77 Cr I2 N2 O8 Si2 -","- C350 H616 Cr8 I16 N16 O64 Si16 -","8","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0567","0.0456","","","0.1117","0.1216","","","","","","1.194","","","","has coordinates,has disorder","243000","2020-10-21","18:00:00",""
"4133165","10.4074","0.0009","15.274","0.0014","17.3686","0.0017","114.788","0.005","90.356","0.005","109.864","0.005","2321.4","0.4","99.99","","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H78 Cr I O11 Si2 -","- C36 H78 Cr I O11 Si2 -","- C72 H156 Cr2 I2 O22 Si4 -","2","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.1163","0.0977","","","0.2493","0.2593","","","","","","1.247","","","","has coordinates","243001","2020-10-21","18:00:00",""
"4133166","16.4739","0.0012","17.6022","0.0012","20.0801","0.0014","90","","109.305","0.0011","90","","5495.3","0.7","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H87 Cl2 Cr2 I O12 Si2 -","- C41 H87 Cl2 Cr2 I O12 Si2 -","- C164 H348 Cl8 Cr8 I4 O48 Si8 -","4","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0726","0.0439","","","0.0985","0.1152","","","","","","1.099","","","","has coordinates,has disorder","243002","2020-10-21","18:00:00",""
"4133167","13.6739","0.0004","14.7859","0.0004","19.0519","0.0005","94.5434","0.0014","107.625","0.0014","93.1097","0.0014","3647.15","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H116 Cr2 I2 O16 Si4 -","- C52 H116 Cr2 I2 O16 Si4 -","- C104 H232 Cr4 I4 O32 Si8 -","2","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0396","0.0287","","","0.0641","0.0704","","","","","","1.05","","","","has coordinates,has disorder","243003","2020-10-21","18:00:00",""
"4133168","10.0937","0.0014","11.5433","0.0016","21.451","0.003","79.581","0.003","89.987","0.003","66.108","0.003","2240.1","0.5","99.95","","99.95","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H62 Cr2 I4 O8 Si2 -","- C28 H62 Cr2 I4 O8 Si2 -","- C56 H124 Cr4 I8 O16 Si4 -","2","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0784","0.0654","","","0.1821","0.1941","","","","","","1.069","","","","has coordinates,has disorder","243004","2020-10-21","18:00:00",""
"4133169","11.379","0.002","11.659","0.002","18.521","0.004","90","","102.867","0.004","90","","2395.4","0.8","100","","100","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C16 H40 Cl2 Cr I N4 O -","- C16 H40 Cl2 Cr I N4 O -","- C64 H160 Cl8 Cr4 I4 N16 O4 -","4","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.1768","0.1002","","","0.1315","0.1499","","","","","","1.131","","","","has coordinates","243005","2020-10-21","18:00:00",""
"4133170","10.5685","0.0002","13.0804","0.0003","23.2344","0.0005","80.624","0.0019","80.4638","0.0017","85.7415","0.0017","3121.54","0.12","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C118 H150 Cu2 K4 N26 O18 -","- C118 H150 Cu2 K4 N26 O18 -","- C118 H150 Cu2 K4 N26 O18 -","1","1","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0436","0.0374","","","0.0796","0.0834","","","","","","1.015","","","","has coordinates,has disorder","243006","2020-10-21","18:00:00",""
"4133171","10.8014","0.0003","22.6917","0.0005","24.9802","0.0006","90","","93.912","0.002","90","","6108.4","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H76 Cu K2 N12 O8.43 -","- C60 H76 Cu K2 N12 O8.425 -","- C240 H304 Cu4 K8 N48 O33.7 -","4","1","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0516","0.0371","","","0.0892","0.0966","","","","","","1.032","","","","has coordinates,has disorder","243007","2020-10-21","18:00:00",""
"4133172","10.5275","0.0003","12.676","0.0004","13.3299","0.0004","107.227","0.003","102.602","0.003","113.837","0.003","1433.19","0.11","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H84 Cu K2 N12 O8 -","- C48 H84 Cu K2 N12 O8 -","- C48 H84 Cu K2 N12 O8 -","1","0.5","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0375","0.031","","","0.0734","0.0769","","","","","","1.026","","","","has coordinates","243008","2020-10-21","18:00:00",""
"4133173","13.8966","0.0003","14.4757","0.0003","18.7995","0.0004","83.2946","0.0019","78.288","0.002","72.69","0.002","3528.88","0.14","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H86 Cu K2 N14 O10 -","- C64 H86 Cu K2 N14 O10 -","- C128 H172 Cu2 K4 N28 O20 -","2","1","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0535","0.0374","","","0.0859","0.0939","","","","","","1.023","","","","has coordinates,has disorder","243009","2020-10-21","18:00:00",""
"4133174","10.4164","0.0003","12.635","0.0003","13.0917","0.0004","115.77","0.003","91.641","0.003","114.016","0.003","1372.35","0.09","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H60 Cu K2 N12 O8 -","- C52 H60 Cu K2 N12 O8 -","- C52 H60 Cu K2 N12 O8 -","1","0.5","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0326","0.0288","","","0.0705","0.0728","","","","","","1.03","","","","has coordinates","243010","2020-10-21","18:00:00",""
"4133175","14.10475","0.00017","22.8433","0.0002","17.8727","0.0002","90","","90","","90","","5758.57","0.11","110","2","110","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H84 Cu K2 N12 O8 -","- C48 H84 Cu K2 N12 O8 -","- C192 H336 Cu4 K8 N48 O32 -","4","0.5","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","1.54178","CuKα","","0.078","0.0674","","","0.1931","0.2076","","","","","","1.092","","","","has coordinates,has disorder","243011","2020-10-21","18:00:00",""
"4133176","14.1664","0.0003","16.1836","0.0004","14.5015","0.0003","90","","98.339","0.002","90","","3289.51","0.13","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H84 Cu K2 N12 O8 -","- C64 H84 Cu K2 N12 O8 -","- C128 H168 Cu2 K4 N24 O16 -","2","1","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0363","0.0314","","","0.0653","0.0675","","","","","","1.021","","","","has coordinates,has disorder","243012","2020-10-21","18:00:00",""
"4133177","10.5273","0.0006","11.4588","0.0008","12.4511","0.0007","67.423","0.006","89.508","0.005","74.316","0.006","1327.56","0.16","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H76 Cu K2 N12 O8 -","- C44 H76 Cu K2 N12 O8 -","- C44 H76 Cu K2 N12 O8 -","1","0.5","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","1.54178","CuKα","","0.0381","0.0363","","","0.0999","0.1021","","","","","","1.078","","","","has coordinates","243013","2020-10-21","18:00:00",""
"4133178","22.0617","0.0003","19.6394","0.0003","19.1538","0.0004","90","","90","","90","","8298.9","0.2","110","2","110","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C30 H62 Cu K2 N10 O6 -","- C30 H62 Cu K2 N10 O6 -","- C240 H496 Cu8 K16 N80 O48 -","8","1","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.041","0.0324","","","0.0796","0.0846","","","","","","1.05","","","","has coordinates,has disorder","243014","2020-10-21","18:00:00",""
"4133179","23.4541","0.0005","22.9965","0.0004","20.0455","0.0005","90","","112.559","0.003","90","","9984.5","0.4","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H120 Cu2 K4 N24 O16 -","- C88 H120 Cu2 K4 N24 O16 -","- C352 H480 Cu8 K16 N96 O64 -","4","1","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0521","0.0375","","","0.0867","0.0945","","","","","","1.033","","","","has coordinates,has disorder","243015","2020-10-21","18:00:00",""
"4133180","22.378","0.002","22.378","0.002","7.1487","0.0007","90","","90","","120","","3100.3","0.5","100","0.1","100","0.1","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C42 H99 Cl6 N6 O16.5 -","- C42 H66 Cl6 N6 O16.4999 -","- C84 H132 Cl12 N12 O32.9998 -","2","0.333333","","Chaix, Arnaud; Mouchaham, Georges; Shkurenko, Aleksander; Hoang, Phuong; Moosa, Basem; Bhatt, Prashant M.; Adil, Karim; Salama, Khaled N.; Eddaoudi, Mohamed; Khashab, Niveen M.","Trianglamine-Based Supramolecular Organic Framework with Permanent Intrinsic Porosity and Tunable Selectivity.","Journal of the American Chemical Society","2018","140","44","14571","14575","10.1021/jacs.8b08770","","","1.54178","CuKα","","0.118","0.1137","","","0.3002","0.3072","","","","","","1.372","","","","has coordinates,has disorder","243016","2020-10-21","18:00:00",""
"4133181","43.918","0.002","43.918","0.002","13.7792","0.0008","90","","90","","120","","23017","2","120","2","120","2","","","","","","","","5","P 3","P 3","143","","","","- C42 H66 Cl6 I0.84 N6 -","- C42 H66 Cl6 I0.84375 N6 -","- C672 H1056 Cl96 I13.5 N96 -","16","5.33333","","Chaix, Arnaud; Mouchaham, Georges; Shkurenko, Aleksander; Hoang, Phuong; Moosa, Basem; Bhatt, Prashant M.; Adil, Karim; Salama, Khaled N.; Eddaoudi, Mohamed; Khashab, Niveen M.","Trianglamine-Based Supramolecular Organic Framework with Permanent Intrinsic Porosity and Tunable Selectivity.","Journal of the American Chemical Society","2018","140","44","14571","14575","10.1021/jacs.8b08770","","","1.54178","CuKα","","0.2326","0.2189","","","0.4973","0.512","","","","","","2.383","","","","has coordinates,has disorder","243017","2020-10-21","18:00:00",""
"4133182","15.0781","0.0006","19.0103","0.0007","29.5991","0.0016","90","","90","","90","","8484.3","0.6","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C46 H56 Br N4 Ni -","- C46 H56 Br N4 Ni -","- C368 H448 Br8 N32 Ni8 -","8","0.25","","Cao, Zhi-Chao; Xie, Si-Jun; Fang, Huayi; Shi, Zhang-Jie","Ni-Catalyzed Cross-Coupling of Dimethyl Aryl Amines with Arylboronic Esters under Reductive Conditions.","Journal of the American Chemical Society","2018","140","42","13575","13579","10.1021/jacs.8b08779","","","1.34138","GaKα","","0.0928","0.0866","","","0.2476","0.2514","","","","","","1.136","","","","has coordinates","243018","2020-10-21","18:00:00",""
"4133183","12.6355","0.0007","8.3115","0.0005","19.5467","0.0011","90","","97.342","0.002","90","","2036","0.2","223","2","223","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C46 H56 N4 Ni -","- C46 H56 N4 Ni -","- C92 H112 N8 Ni2 -","2","0.5","","Cao, Zhi-Chao; Xie, Si-Jun; Fang, Huayi; Shi, Zhang-Jie","Ni-Catalyzed Cross-Coupling of Dimethyl Aryl Amines with Arylboronic Esters under Reductive Conditions.","Journal of the American Chemical Society","2018","140","42","13575","13579","10.1021/jacs.8b08779","","","0.71073","","","0.0453","0.0379","","","0.101","0.1055","","","","","","1.076","","","","has coordinates","243019","2020-10-21","18:00:00",""
"4133184","19.6677","0.001","14.8601","0.0007","14.6996","0.0008","90","","90","","90","","4296.2","0.4","223","2","223","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C46 H56 Br2 N4 Ni -","- C46 H56 Br2 N4 Ni -","- C184 H224 Br8 N16 Ni4 -","4","0.5","","Cao, Zhi-Chao; Xie, Si-Jun; Fang, Huayi; Shi, Zhang-Jie","Ni-Catalyzed Cross-Coupling of Dimethyl Aryl Amines with Arylboronic Esters under Reductive Conditions.","Journal of the American Chemical Society","2018","140","42","13575","13579","10.1021/jacs.8b08779","","","0.71073","","","0.0694","0.0363","","","0.0785","0.0918","","","","","","1.032","","","","has coordinates","243020","2020-10-21","18:00:00",""
"4133185","28.438","0.004","16.021","0.002","17.035","0.002","90","","116.691","0.002","90","","6934.2","1.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H105 Cl3 N2 O19 S2 V6 -","- C49.4994 H102.998 Cl3 N2 O19 S1.9998 V6 -","- C197.998 H411.994 Cl12 N8 O76 S7.9992 V24 -","4","0.5","","Linnenberg, Oliver; Moors, Marco; Notario-Estévez, Almudena; López, Xavier; de Graaf, Coen; Peter, Sophia; Baeumer, Christoph; Waser, Rainer; Monakhov, Kirill Yu","Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States.","Journal of the American Chemical Society","2018","140","48","16635","16640","10.1021/jacs.8b08780","","","0.71073","MoKα","","0.0651","0.0516","","","0.1413","0.1509","","","","","","1.062","","","","has coordinates,has disorder","243021","2020-10-21","18:00:00",""
"4133186","10.7421","0.0015","18.328","0.003","16.454","0.002","90","","90.571","0.003","90","","3239.3","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H98 N2 O19 S2 V6 -","- C54 H98 N2 O19 S2 V6 -","- C108 H196 N4 O38 S4 V12 -","2","0.5","","Linnenberg, Oliver; Moors, Marco; Notario-Estévez, Almudena; López, Xavier; de Graaf, Coen; Peter, Sophia; Baeumer, Christoph; Waser, Rainer; Monakhov, Kirill Yu","Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States.","Journal of the American Chemical Society","2018","140","48","16635","16640","10.1021/jacs.8b08780","","","0.71073","MoKα","","0.0676","0.0428","","","0.1088","0.1141","","","","","","0.958","","","","has coordinates,has disorder","243022","2020-10-21","18:00:00",""
"4133187","25.81","0.0012","25.81","0.0014","26.8358","0.0011","90","","90","","120","","15481.8","1.3","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C48 H103.6 Cl1.6 N2 O19.8 S2 V6 -","- C44 H92.248 N2 O19 S2 V6 -","- C396 H830.232 N18 O171 S18 V54 -","9","0.5","","Linnenberg, Oliver; Moors, Marco; Notario-Estévez, Almudena; López, Xavier; de Graaf, Coen; Peter, Sophia; Baeumer, Christoph; Waser, Rainer; Monakhov, Kirill Yu","Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States.","Journal of the American Chemical Society","2018","140","48","16635","16640","10.1021/jacs.8b08780","","","0.71073","MoKα","","0.0809","0.058","","","0.15","0.17","","","","","","1.039","","","","has coordinates,has disorder","243023","2020-10-21","18:00:00",""
"4133188","13.357","0.003","15.425","0.003","15.865","0.003","87.435","0.003","82.492","0.003","73.74","0.003","3110.9","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H89.5 Cl1.5 F6 N2 O19 S2 V6 -","- C44.75 H89.5 Cl1.5 F6 N2 O19 S2 V6 -","- C89.5 H179 Cl3 F12 N4 O38 S4 V12 -","2","1","","Linnenberg, Oliver; Moors, Marco; Notario-Estévez, Almudena; López, Xavier; de Graaf, Coen; Peter, Sophia; Baeumer, Christoph; Waser, Rainer; Monakhov, Kirill Yu","Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States.","Journal of the American Chemical Society","2018","140","48","16635","16640","10.1021/jacs.8b08780","","","0.71073","MoKα","","0.0885","0.0604","","","0.1657","0.188","","","","","","1.033","","","","has coordinates,has disorder","243024","2020-10-21","18:00:00",""
"4133189","25.7726","0.0011","25.7726","0.0011","26.9789","0.0012","90","","90","","120","","15519.3","1.2","100","2","100.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C48 H102 Cl4 N2 O19 S2 V6 -","- C45.138 H91.482 N2 O19 S2 V6 -","- C406.242 H823.338 N18 O171 S18 V54 -","9","0.5","","Linnenberg, Oliver; Moors, Marco; Notario-Estévez, Almudena; López, Xavier; de Graaf, Coen; Peter, Sophia; Baeumer, Christoph; Waser, Rainer; Monakhov, Kirill Yu","Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States.","Journal of the American Chemical Society","2018","140","48","16635","16640","10.1021/jacs.8b08780","","","0.71073","MoKα","","0.0706","0.0552","","","0.151","0.1644","","","","","","1.048","","","","has coordinates,has disorder","243025","2020-10-21","18:00:00",""
"4133190","12.3292","0.001","24.206","0.002","23.3258","0.0019","90","","91.057","0.002","90","","6960.2","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H102 N2 O19 S2 V6 -","- C62.444 H86.298 N2 O19 S2 V6 -","- C249.776 H345.192 N8 O76 S8 V24 -","4","0.5","","Linnenberg, Oliver; Moors, Marco; Notario-Estévez, Almudena; López, Xavier; de Graaf, Coen; Peter, Sophia; Baeumer, Christoph; Waser, Rainer; Monakhov, Kirill Yu","Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States.","Journal of the American Chemical Society","2018","140","48","16635","16640","10.1021/jacs.8b08780","","","0.71073","MoKα","","0.1121","0.0633","","","0.1531","0.1802","","","","","","1.025","","","","has coordinates,has disorder","243026","2020-10-21","18:00:00",""
"4133191","10.7657","0.0007","11.8832","0.0009","14.3028","0.001","96.927","0.004","104.549","0.004","116.762","0.003","1522.5","0.2","150","2","150","","","","","","","","","3","P -1","-P 1","2","","","","- C2.2 H2.8 O0.8 -","- C2.2 H2.8 O0.8 -","- C66 H84 O24 -","30","15","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","0.71073","MoKα","","0.1555","0.0745","","","0.1324","0.1727","","","","","","1.061","","","","has coordinates","243027","2020-10-21","18:00:00",""
"4133192","8.582","0.001","9.142","0.0012","10.6911","0.0014","98.618","0.008","93.721","0.007","96.898","0.007","820.37","0.18","166","2","166","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 F O6 -","- C17 H17 F O6 -","- C34 H34 F2 O12 -","2","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","0.71073","MoKα","","0.1591","0.0648","","","0.139","0.178","","","","","","1.006","","","","has coordinates,has disorder","243028","2020-10-21","18:00:00",""
"4133193","14.7312","0.0014","10.3767","0.001","15.206","0.0016","90","","90","","90","","2324.4","0.4","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H14 O6 -","- C11 H15 O6 -","- C88 H120 O48 -","8","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","","","","0.117","","","","","","","","","","","","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4133194","8.1399","0.0007","8.1896","0.0006","14.1026","0.0011","77.958","0.004","87.753","0.004","61.189","0.004","803.55","0.12","150","2","150","","","","","","","","","3","P -1","-P 1","2","","","","- C2.25 H2.5 O0.75 -","- C18 H20 O6.006 -","- C36 H40 O12.012 -","2","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","0.71073","MoKα","","0.116","0.0596","","","0.1259","0.1524","","","","","","1.016","","","","has coordinates,has disorder","243030","2020-10-21","18:00:00",""
"4133195","13.5011","0.0009","6.1459","0.0004","24.3994","0.0014","90","","105.244","0.002","90","","1953.3","0.2","150","2","149.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N O7 -","- C22 H25 N O7 -","- C88 H100 N4 O28 -","4","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","0.71073","MoKα","","0.0838","0.0477","","","0.11","0.1285","","","","","","1.025","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4133196","8.8949","0.001","9.8794","0.0009","10.4047","0.0012","114.453","0.005","98.559","0.006","94.609","0.005","812.74","0.16","150","2","149.99","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O7 -","- C18 H20 O7 -","- C36 H40 O14 -","2","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","0.71073","MoKα","","0.0835","0.0461","","","0.1113","0.1297","","","","","","1.055","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4133197","11.0702","0.0016","9.1717","0.0013","16.694","0.002","90","","91.027","0.003","90","","1694.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl O6 -","- C17 H17 Cl O6 -","- C68 H68 Cl4 O24 -","4","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","0.71073","MoKα","","0.071","0.0577","","","0.1494","0.1579","","","","","","1.059","","","","has coordinates,has disorder","243033","2020-10-21","18:00:00",""
"4133198","9.116","0.007","13.014","0.015","12.764","0.011","90","","106.22","0.07","90","","1454","2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","0.71073","MoKα","","0.0883","0.0657","","","0.1538","0.1654","","","","","","1.091","","","","has coordinates,has disorder","243034","2020-10-21","18:00:00",""
"4133199","11.39","0.002","31.815","0.006","17.352","0.003","90","","92.79","0.03","90","","6280","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 F3 N3 O3 -","- C17 H14 F3 N3 O3 -","- C272 H224 F48 N48 O48 -","16","4","","Kim, Hyunwoo; Heo, Joon; Kim, Junho; Baik, Mu-Hyun; Chang, Sukbok","Copper-Mediated Amination of Aryl C-H Bonds with the Direct Use of Aqueous Ammonia via a Disproportionation Pathway.","Journal of the American Chemical Society","2018","140","43","14350","14356","10.1021/jacs.8b08826","","","0.67","synchrotron","","0.0477","0.0422","","","0.112","0.1159","","","","","","1.048","","","","has coordinates","243035","2020-10-21","18:00:00",""
"4133200","14.0798","0.0005","10.3541","0.0004","26.2464","0.001","90","","91.818","0.002","90","","3824.4","0.2","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C56 H46 -","- C56 H46 -","- C224 H184 -","4","0.5","","Hsieh, Ya-Chu; Wu, Cheng-Feng; Chen, Yi-Ting; Fang, Chia-Te; Wang, Chi-Shin; Li, Chia-Hsin; Chen, Liang-Yu; Cheng, Mu-Jeng; Chueh, Chu-Chen; Chou, Pi-Tai; Wu, Yao-Ting","5,14-Diaryldiindeno[2,1- f:1',2' -j]picene: A New Stable [7]Helicene with a Partial Biradical Character.","Journal of the American Chemical Society","2018","140","43","14357","14366","10.1021/jacs.8b08840","","","0.71073","MoKα","","0.0626","0.0579","","","0.1384","0.1413","","","","","","1.084","","","","has coordinates","243037","2020-10-21","18:00:00",""
"4133201","12.8513","0.001","62.643","0.006","9.5148","0.0009","90","","90","","90","","7659.8","1.2","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C27 H20 O3 -","- C27 H20 O3 -","- C432 H320 O48 -","16","1","","Hsieh, Ya-Chu; Wu, Cheng-Feng; Chen, Yi-Ting; Fang, Chia-Te; Wang, Chi-Shin; Li, Chia-Hsin; Chen, Liang-Yu; Cheng, Mu-Jeng; Chueh, Chu-Chen; Chou, Pi-Tai; Wu, Yao-Ting","5,14-Diaryldiindeno[2,1- f:1',2' -j]picene: A New Stable [7]Helicene with a Partial Biradical Character.","Journal of the American Chemical Society","2018","140","43","14357","14366","10.1021/jacs.8b08840","","","0.71073","MoKα","","0.0989","0.0525","","","0.097","0.125","","","","","","1.042","","","","has coordinates","243038","2020-10-21","18:00:00",""
"4133202","13.736","0.004","56.462","0.016","9.796","0.003","90","","90","","90","","7597","4","100","2","100","2","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- C28 H22 -","- C28 H22 -","- C448 H352 -","16","1","","Hsieh, Ya-Chu; Wu, Cheng-Feng; Chen, Yi-Ting; Fang, Chia-Te; Wang, Chi-Shin; Li, Chia-Hsin; Chen, Liang-Yu; Cheng, Mu-Jeng; Chueh, Chu-Chen; Chou, Pi-Tai; Wu, Yao-Ting","5,14-Diaryldiindeno[2,1- f:1',2' -j]picene: A New Stable [7]Helicene with a Partial Biradical Character.","Journal of the American Chemical Society","2018","140","43","14357","14366","10.1021/jacs.8b08840","","","0.71073","MoKα","","0.0991","0.0729","","","0.1654","0.1778","","","","","","1.046","","","","has coordinates","243039","2020-10-21","18:00:00",""
"4133203","10.9292","0.0004","13.6903","0.0005","13.1466","0.0005","90","","90.262","0.003","90","","1967.03","0.13","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 O2 S -","- C24 H24 O2 S -","- C96 H96 O8 S4 -","4","1","","Qiu, Dachuan; Shi, Jiarong; Guo, Qianyu; Xu, Qiuxia; Li, Baosheng; Li, Yang","Cyclohexenynone Precursors: Preparation via Oxidative Dearomatization Strategy and Reactivity.","Journal of the American Chemical Society","2018","140","41","13214","13218","10.1021/jacs.8b08915","","","0.71073","MoKα","","0.0603","0.0463","","","0.1106","0.1195","","","","","","1.043","","","","has coordinates","243040","2020-10-21","18:00:00",""
"4133204","13.9317","0.0007","11.1577","0.0004","11.7175","0.0005","90","","112.171","0.006","90","","1686.76","0.15","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 F3 O5 S Si -","- C12 H17 F3 O5 S Si -","- C48 H68 F12 O20 S4 Si4 -","4","1","","Qiu, Dachuan; Shi, Jiarong; Guo, Qianyu; Xu, Qiuxia; Li, Baosheng; Li, Yang","Cyclohexenynone Precursors: Preparation via Oxidative Dearomatization Strategy and Reactivity.","Journal of the American Chemical Society","2018","140","41","13214","13218","10.1021/jacs.8b08915","","","0.71073","MoKα","","0.0788","0.0539","","","0.1339","0.1535","","","","","","1.048","","","","has coordinates","243041","2020-10-21","18:00:00",""
"4133205","8.6308","0.0007","13.3546","0.0012","15.575","0.0014","90","","90","","90","","1795.2","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 F3 N O4 S -","- C16 H16 F3 N O4 S -","- C64 H64 F12 N4 O16 S4 -","4","1","","Qiu, Dachuan; Shi, Jiarong; Guo, Qianyu; Xu, Qiuxia; Li, Baosheng; Li, Yang","Cyclohexenynone Precursors: Preparation via Oxidative Dearomatization Strategy and Reactivity.","Journal of the American Chemical Society","2018","140","41","13214","13218","10.1021/jacs.8b08915","","","0.71073","MoKα","","0.1074","0.0699","","","0.1695","0.2003","","","","","","1.036","","","","has coordinates","243042","2020-10-21","18:00:00",""
"4133206","11.8908","0.0004","14.2458","0.0005","9.8084","0.0003","90","","90","","90","","1661.48","0.1","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H17 F3 O5 S Si -","- C12 H17 F3 O5 S Si -","- C48 H68 F12 O20 S4 Si4 -","4","1","","Qiu, Dachuan; Shi, Jiarong; Guo, Qianyu; Xu, Qiuxia; Li, Baosheng; Li, Yang","Cyclohexenynone Precursors: Preparation via Oxidative Dearomatization Strategy and Reactivity.","Journal of the American Chemical Society","2018","140","41","13214","13218","10.1021/jacs.8b08915","","","0.71073","MoKα","","0.0506","0.0401","","","0.0998","0.1091","","","","","","1.072","","","","has coordinates,has disorder","243043","2020-10-21","18:00:00",""
"4133207","9.8881","0.0015","5.814","0.0009","9.7349","0.0015","90","","90","","90","","559.65","0.15","90","2","90","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C30 H24 N4 -","2","0.5","","Taniguchi, Tohru; Suzuki, Takahiro; Satoh, Haruka; Shichibu, Yukatsu; Konishi, Katsuaki; Monde, Kenji","Preparation of Carbodiimides with One-Handed Axial Chirality.","Journal of the American Chemical Society","2018","140","46","15577","15581","10.1021/jacs.8b08969","","","0.71073","MoKα","","0.0526","0.0351","","","0.0708","0.0784","","","","","","1.051","","","","has coordinates","243044","2020-10-21","18:00:00",""
"4133208","17.302","0.002","17.302","0.002","17.302","0.002","90","","90","","90","","5179.5","1","100","2","100","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","a-ZIF-65(Zn)","","","- C6 H4 N6 O4 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Choi, Yejin; Noh, Kyungkyou; Lee, Jisu; Kim, Jaheon","Porosity Properties of the Conformers of Sodalite-like Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2018","140","44","14586","14589","10.1021/jacs.8b08997","","","0.7","synchrotron","","0.0529","0.0348","","","0.0908","0.1022","","","","","","1.052","","","","has coordinates","243045","2020-10-21","18:00:00",""
"4133209","17.3893","0.0003","17.3893","0.0003","17.3893","0.0003","90","","90","","90","","5258.31","0.16","296","2","296","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","a-ZIF-65(Zn)","","","- C6 H4 N6 O4 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Choi, Yejin; Noh, Kyungkyou; Lee, Jisu; Kim, Jaheon","Porosity Properties of the Conformers of Sodalite-like Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2018","140","44","14586","14589","10.1021/jacs.8b08997","","","0.71073","MoKα","","0.0697","0.032","","","0.0665","0.076","","","","","","0.899","","","","has coordinates","243046","2020-10-21","18:00:00",""
"4133210","34.502","0.004","34.502","0.004","34.502","0.004","90","","90","","90","","41071","8","100","2","100","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","b-ZIF-65(Zn)","","","- C12 H8 N12 O8 Zn2 -","- C12 H8 N12 O8 Zn2 -","- C576 H384 N576 O384 Zn96 -","48","1","","Choi, Yejin; Noh, Kyungkyou; Lee, Jisu; Kim, Jaheon","Porosity Properties of the Conformers of Sodalite-like Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2018","140","44","14586","14589","10.1021/jacs.8b08997","","","0.61","synchrotron","","0.068","0.0467","","","0.1433","0.1499","","","","","","1.069","","","","has coordinates","243047","2020-10-21","18:00:00",""
"4133211","34.6372","0.0002","34.6372","0.0002","34.6372","0.0002","90","","90","","90","","41555.5","0.4","296","2","296","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C12 H8 N12 O8 Zn2 -","- C12 H8 N12 O8 Zn2 -","- C576 H384 N576 O384 Zn96 -","48","1","","Choi, Yejin; Noh, Kyungkyou; Lee, Jisu; Kim, Jaheon","Porosity Properties of the Conformers of Sodalite-like Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2018","140","44","14586","14589","10.1021/jacs.8b08997","","","0.71073","MoKα","","0.0828","0.0487","","","0.12","0.1391","","","","","","1.015","","","","has coordinates","243048","2020-10-21","18:00:00",""
"4133212","12.1823","0.0003","16.0289","0.0004","13.5075","0.0003","90","","109.227","0.0014","90","","2490.47","0.11","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H60 Br Cl N4 O5 -","- C59 H60 Br Cl N4 O5 -","- C118 H120 Br2 Cl2 N8 O10 -","2","1","","Hu, Bin; Bezpalko, Mark W.; Fei, Chao; Dickie, Diane A.; Foxman, Bruce M.; Deng, Li","Origin of and a Solution for Uneven Efficiency by Cinchona Alkaloid-Derived, Pseudoenantiomeric Catalysts for Asymmetric Reactions.","Journal of the American Chemical Society","2018","140","42","13913","13920","10.1021/jacs.8b09010","","","0.71073","MoKα","","0.0405","0.0354","","0.0918","0.089","0.0918","","","","","","1.0051","","","","has coordinates,has disorder","243049","2020-10-21","18:00:00",""
"4133213","7.4084","0.0002","13.4101","0.0005","20.1483","0.0006","90","","90","","90","","2001.68","0.11","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 F3 N4 O3 -","- C20 H19 F3 N4 O3 -","- C80 H76 F12 N16 O12 -","4","1","","Hu, Bin; Bezpalko, Mark W.; Fei, Chao; Dickie, Diane A.; Foxman, Bruce M.; Deng, Li","Origin of and a Solution for Uneven Efficiency by Cinchona Alkaloid-Derived, Pseudoenantiomeric Catalysts for Asymmetric Reactions.","Journal of the American Chemical Society","2018","140","42","13913","13920","10.1021/jacs.8b09010","","","1.54178","CuKα","","0.0271","0.0262","","0.0685","0.0677","0.0685","","","","","","0.9959","","","","has coordinates","243050","2020-10-21","18:00:00",""
"4133214","15.5144","0.0005","15.5144","0.0005","53.2848","0.0017","90","","90","","90","","12825.5","0.7","120","2","120","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","binh-02-60","","","- C53 H47 Br Cl3 N3 O2 -","- C53 H47 Br Cl3 N3 O2 -","- C424 H376 Br8 Cl24 N24 O16 -","8","1","","Hu, Bin; Bezpalko, Mark W.; Fei, Chao; Dickie, Diane A.; Foxman, Bruce M.; Deng, Li","Origin of and a Solution for Uneven Efficiency by Cinchona Alkaloid-Derived, Pseudoenantiomeric Catalysts for Asymmetric Reactions.","Journal of the American Chemical Society","2018","140","42","13913","13920","10.1021/jacs.8b09010","","","0.71073","MoKα","","0.097","0.0618","","","0.1591","0.1849","","","","","","1.025","","","","has coordinates","243051","2020-10-21","18:00:00",""
"4133215","35.1304","0.001","11.2909","0.0003","12.404","0.0004","90","","90","","90","","4920.1","0.2","120","","120","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C56.91 H52.86 Br Cl N6.95 O2.55 -","- C56.906 H52.859 Br Cl N6.953 O2.547 -","- C227.624 H211.436 Br4 Cl4 N27.812 O10.188 -","4","1","","Hu, Bin; Bezpalko, Mark W.; Fei, Chao; Dickie, Diane A.; Foxman, Bruce M.; Deng, Li","Origin of and a Solution for Uneven Efficiency by Cinchona Alkaloid-Derived, Pseudoenantiomeric Catalysts for Asymmetric Reactions.","Journal of the American Chemical Society","2018","140","42","13913","13920","10.1021/jacs.8b09010","","","0.71073","MoKα","","0.0985","0.0852","","0.216","0.2117","0.216","","","","","","1.0183","","","","has coordinates,has disorder","243052","2020-10-21","18:00:00",""
"4133216","12.846","0.0009","50.973","0.004","15.908","0.0011","90","","113.212","0.002","90","","9573.4","1.2","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H73 Co3 N18 O6 -","- C78 H82 Co3 N18 O6 -","- C312 H328 Co12 N72 O24 -","4","0.5","","Li, Bao; Wang, Xiao-Ning; Kirchon, Angelo; Qin, Jun-Sheng; Pang, Jian-Dong; Zhuang, Gui-Lin; Zhou, Hong-Cai","Sophisticated Construction of Electronically Labile Materials: A Neutral, Radical-Rich, Cobalt Valence Tautomeric Triangle.","Journal of the American Chemical Society","2018","140","44","14581","14585","10.1021/jacs.8b09062","","","1.54178","CuKα","","0.1762","0.1224","","","0.3259","0.356","","","","","","1.262","","","","has coordinates","243053","2020-10-21","18:00:00",""
"4133217","15.759","0.0012","13.8266","0.0009","23.4425","0.0017","90","","94.27","0.004","90","","5093.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H60 N O3 P V -","- C56 H50 N4 O3 P V -","- C224 H200 N16 O12 P4 V4 -","4","1","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.2377","0.1028","","","0.2507","0.3228","","","","","","1.017","","","","has coordinates","243054","2020-10-21","18:00:00",""
"4133218","13.07","0.004","26.267","0.009","33.074","0.011","90","","90.71","0.02","90","","11354","6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H70 Co N O P V -","- C68 H70 Co N4 O P V -","- C544 H560 Co8 N32 O8 P8 V8 -","8","2","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.3452","0.0997","","","0.112","0.1749","","","","","","0.937","","","","has coordinates","243055","2020-10-21","18:00:00",""
"4133219","12.989","0.014","13.604","0.011","31.33","0.06","90","","92.53","0.13","90","","5531","13","100","2","100","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C54 H53 Cl4 F3 N O4 P S Si V -","- C54 H53 Cl4 F3 N4 O4 P S Si V -","- C216 H212 Cl16 F12 N16 O16 P4 S4 Si4 V4 -","4","1","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.4212","0.1316","","","0.2138","0.3371","","","","","","0.883","","","","has coordinates","243056","2020-10-21","18:00:00",""
"4133220","22.904","0.004","18.478","0.002","9.8154","0.0017","90","","98.016","0.009","90","","4113.5","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H30 F10 N4 O P V -","- C48 H30 F10 N4 O P V -","- C192 H120 F40 N16 O4 P4 V4 -","4","1","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.2421","0.141","","","0.2652","0.29","","","","","","1.178","","","","has coordinates","243057","2020-10-21","18:00:00",""
"4133221","11.123","0.002","11.304","0.002","20.103","0.004","86.349","0.004","83.12","0.004","64.869","0.004","2271.7","0.7","99","2","99","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H39 F10 N O P Si V -","- C51 H39 F10 N4 O P Si V -","- C102 H78 F20 N8 O2 P2 Si2 V2 -","2","1","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.0776","0.046","","","0.0894","0.1016","","","","","","1.008","","","","has coordinates","243058","2020-10-21","18:00:00",""
"4133222","13.735","0.006","13.546","0.006","40.419","0.016","90","","92.518","0.004","90","","7513","6","100","2","100","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C79 H47 B Cl2 F30 N O P Si V -","- C79 H47 B Cl2 F30 N4 O P Si V -","- C316 H188 B4 Cl8 F120 N16 O4 P4 Si4 V4 -","4","1","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.2855","0.0931","","","0.1918","0.2668","","","","","","0.938","","","","has coordinates","243059","2020-10-21","18:00:00",""
"4133223","15.851","0.003","17.848","0.004","41.744","0.01","90","","97.977","0.014","90","","11695","4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C71 H62 Co F10.5 N O P V -","- C71 H62 Co F10.5 N4 O P V -","- C568 H496 Co8 F84 N32 O8 P8 V8 -","8","1","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.2109","0.1751","","","0.4086","0.4246","","","","","","1.202","","","","has coordinates","243060","2020-10-21","18:00:00",""
"4133224","10.07","0.008","11.163","0.009","20.61","0.018","91.307","0.018","101.044","0.018","92.562","0.017","2270","3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H49 N O P Si V -","- C51 H49 N4 O P Si V -","- C102 H98 N8 O2 P2 Si2 V2 -","2","1","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.1703","0.0728","","","0.1591","0.203","","","","","","0.952","","","","has coordinates,has disorder","243061","2020-10-21","18:00:00",""
"4133225","13.0759","0.0009","13.57","0.0011","22.569","0.0016","74.875","0.006","89.235","0.006","89.21","0.006","3865.4","0.5","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C99 H67 Cl8 N -","- C99 H68 Cl8 N -","- C198 H136 Cl16 N2 -","2","1","","Zeng, Wangdong; Gopalakrishna, Tullimilli Y.; Phan, Hoa; Tanaka, Takayuki; Herng, Tun Seng; Ding, Jun; Osuka, Atsuhiro; Wu, Jishan","Superoctazethrene: An Open-Shell Graphene-like Molecule Possessing Large Diradical Character but Still with Reasonable Stability.","Journal of the American Chemical Society","2018","140","43","14054","14058","10.1021/jacs.8b09075","","","1.54184","CuKα","","0.2775","0.1169","","","0.2877","0.4086","","","","","","1.013","","","","has coordinates","243062","2020-10-21","18:00:00",""
"4133226","17.612","0.002","17.855","0.002","18.518","0.002","103.889","0.006","97.137","0.006","91.927","0.006","5597","1.1","152","2","152","2","","","","","","","","3","P -1","-P 1","2","","","","- C70 H80 O4 -","- C70 H80 O4 -","- C280 H320 O16 -","4","2","","Zeng, Wangdong; Gopalakrishna, Tullimilli Y.; Phan, Hoa; Tanaka, Takayuki; Herng, Tun Seng; Ding, Jun; Osuka, Atsuhiro; Wu, Jishan","Superoctazethrene: An Open-Shell Graphene-like Molecule Possessing Large Diradical Character but Still with Reasonable Stability.","Journal of the American Chemical Society","2018","140","43","14054","14058","10.1021/jacs.8b09075","","","1.54178","CuKα","","0.1699","0.1534","","","0.3955","0.4034","","","","","","1.078","","","","has coordinates,has disorder","243063","2020-10-21","18:00:00",""
"4133227","25.9719","0.0005","23.5149","0.0006","18.9224","0.0003","90","","90","","90","","11556.4","0.4","150.01","0.1","150.01","0.1","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- Co8 Fe8 Na13 O233 P4 Si4 W36 -","- Co8 Fe8 Na13 O233 P4 Si4 W36 -","- Co16 Fe16 Na26 O466 P8 Si8 W72 -","2","0.25","","Han, Xin-Bao; Tang, Xing-Yan; Lin, Yue; Gracia-Espino, Eduardo; Liu, San-Gui; Liang, Hai-Wei; Hu, Guang-Zhi; Zhao, Xin-Jing; Liao, Hong-Gang; Tan, Yuan-Zhi; Wagberg, Thomas; Xie, Su-Yuan; Zheng, Lan-Sun","Ultrasmall Abundant Metal-Based Clusters as Oxygen-Evolving Catalysts.","Journal of the American Chemical Society","2019","141","1","232","239","10.1021/jacs.8b09076","","","1.54184","CuKα","","0.0809","0.0644","","","0.1731","0.1903","","","","","","1.055","","","","has coordinates,has disorder","243064","2020-10-21","18:00:00",""
"4133228","23.4377","0.0004","25.9959","0.0005","18.9014","0.0004","90","","90","","90","","11516.3","0.4","100.01","0.1","100.01","0.1","","","","","","","","8","P m m n :2","-P 2ab 2a","59","","","","- C8 Co12 Fe4 Na19 O232 P4 Si4 W36 -","- C8 Co12 Fe4 Na19 O234 P4 Si4 W36 -","- C16 Co24 Fe8 Na38 O468 P8 Si8 W72 -","2","0.25","","Han, Xin-Bao; Tang, Xing-Yan; Lin, Yue; Gracia-Espino, Eduardo; Liu, San-Gui; Liang, Hai-Wei; Hu, Guang-Zhi; Zhao, Xin-Jing; Liao, Hong-Gang; Tan, Yuan-Zhi; Wagberg, Thomas; Xie, Su-Yuan; Zheng, Lan-Sun","Ultrasmall Abundant Metal-Based Clusters as Oxygen-Evolving Catalysts.","Journal of the American Chemical Society","2019","141","1","232","239","10.1021/jacs.8b09076","","","1.54184","CuKα","","0.0915","0.0821","","","0.2188","0.2347","","","","","","1.056","","","","has coordinates,has disorder","243065","2020-10-21","18:00:00",""
"4133229","7.654","0.0004","17.305","0.0009","10.5413","0.0006","90","","107.269","0.002","90","","1333.28","0.13","150","0.1","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 K O -","- C13 H19 K O -","- C52 H76 K4 O4 -","4","1","","Xémard, Mathieu; Zimmer, Sébastien; Cordier, Marie; Goudy, Violaine; Ricard, Louis; Clavaguéra, Carine; Nocton, Grégory","Lanthanidocenes: Synthesis, Structure, and Bonding of Linear Sandwich Complexes of Lanthanides.","Journal of the American Chemical Society","2018","140","43","14433","14439","10.1021/jacs.8b09081","","","0.71069","MoKα","","0.0662","0.0536","","","0.1534","0.166","","","","","","1.051","","","","has coordinates,has disorder","243066","2020-10-21","18:00:00",""
"4133230","7.3832","0.0005","8.9146","0.0006","11.0651","0.0008","90","","99.998","0.002","90","","717.23","0.09","150","0.1","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Yb -","- C18 H18 Yb -","- C36 H36 Yb2 -","2","0.5","","Xémard, Mathieu; Zimmer, Sébastien; Cordier, Marie; Goudy, Violaine; Ricard, Louis; Clavaguéra, Carine; Nocton, Grégory","Lanthanidocenes: Synthesis, Structure, and Bonding of Linear Sandwich Complexes of Lanthanides.","Journal of the American Chemical Society","2018","140","43","14433","14439","10.1021/jacs.8b09081","","","0.71069","MoKα","","0.055","0.0401","","","0.1127","0.1182","","","","","","1.368","","","","has coordinates,has disorder","243066","2020-10-21","18:00:00",""
"4133231","7.3082","0.0004","9.0727","0.0005","11.3296","0.0006","90","","99.968","0.002","90","","739.87","0.07","150","0.1","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Sm -","- C18 H18 Sm -","- C36 H36 Sm2 -","2","0.5","","Xémard, Mathieu; Zimmer, Sébastien; Cordier, Marie; Goudy, Violaine; Ricard, Louis; Clavaguéra, Carine; Nocton, Grégory","Lanthanidocenes: Synthesis, Structure, and Bonding of Linear Sandwich Complexes of Lanthanides.","Journal of the American Chemical Society","2018","140","43","14433","14439","10.1021/jacs.8b09081","","","0.71069","MoKα","","0.0411","0.0197","","","0.0537","0.0645","","","","","","0.99","","","","has coordinates,has disorder","243066","2020-10-21","18:00:00",""
"4133232","13.5501","0.0004","12.9804","0.0004","8.9048","0.0003","90","","90","","90","","1566.23","0.09","150","0.1","150","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C34 H50 O4 Yb -","- C34 H50 O4 Yb -","- C68 H100 O8 Yb2 -","2","0.5","","Xémard, Mathieu; Zimmer, Sébastien; Cordier, Marie; Goudy, Violaine; Ricard, Louis; Clavaguéra, Carine; Nocton, Grégory","Lanthanidocenes: Synthesis, Structure, and Bonding of Linear Sandwich Complexes of Lanthanides.","Journal of the American Chemical Society","2018","140","43","14433","14439","10.1021/jacs.8b09081","","","0.71069","MoKα","","0.0209","0.0203","","","0.0516","0.0518","","","","","","1.062","","","","has coordinates,has disorder","243066","2020-10-21","18:00:00",""
"4133233","21.525","0.003","22.637","0.003","14.4941","0.0019","90","","106.479","0.004","90","","6772.3","1.6","150","0.1","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 N7 Yb -","- C32 H39 N7 Yb -","- C256 H312 N56 Yb8 -","8","2","","Xémard, Mathieu; Zimmer, Sébastien; Cordier, Marie; Goudy, Violaine; Ricard, Louis; Clavaguéra, Carine; Nocton, Grégory","Lanthanidocenes: Synthesis, Structure, and Bonding of Linear Sandwich Complexes of Lanthanides.","Journal of the American Chemical Society","2018","140","43","14433","14439","10.1021/jacs.8b09081","","","0.71069","MoKα","","0.0938","0.0786","","","0.1925","0.2","","","","","","1.17","","","","has coordinates","243066","2020-10-21","18:00:00",""
"4133234","7.3412","0.0005","8.8404","0.0005","11.1729","0.0007","90","","100.906","0.002","90","","712.02","0.08","150","0.1","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Tm -","- C18 H18 Tm -","- C36 H36 Tm2 -","2","0.5","","Xémard, Mathieu; Zimmer, Sébastien; Cordier, Marie; Goudy, Violaine; Ricard, Louis; Clavaguéra, Carine; Nocton, Grégory","Lanthanidocenes: Synthesis, Structure, and Bonding of Linear Sandwich Complexes of Lanthanides.","Journal of the American Chemical Society","2018","140","43","14433","14439","10.1021/jacs.8b09081","","","0.71069","MoKα","","0.0396","0.0219","","","0.056","0.0647","","","","","","0.988","","","","has coordinates,has disorder","243066","2020-10-21","18:00:00",""
"4133235","5.551","0.0003","10.2724","0.0005","27.7122","0.0013","90","","90","","90","","1580.21","0.14","146","2","146","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","C12H13N2O4S","","","- C13 H16 Cl2 N2 O4 S -","- C13 H16 Cl2 N2 O4 S -","- C52 H64 Cl8 N8 O16 S4 -","4","1","","Mavila, Sudheendran; Worrell, Brady T.; Culver, Heidi R.; Goldman, Trevor M.; Wang, Chen; Lim, Chern-Hooi; Domaille, Dylan W.; Pattanayak, Sankha; McBride, Matthew K.; Musgrave, Charles B.; Bowman, Christopher N.","Dynamic and Responsive DNA-like Polymers.","Journal of the American Chemical Society","2018","140","42","13594","13598","10.1021/jacs.8b09105","","","0.71073","MoKα","","0.0423","0.0365","","","0.0913","0.0958","","","","","","1.044","","","","has coordinates","243067","2020-10-21","18:00:00",""
"4133236","29.0474","0.0007","11.7153","0.0003","13.2128","0.0003","90","","97.585","0.0012","90","","4456.96","0.19","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C59 H80 O -","- C59 H80 O -","- C236 H320 O4 -","4","0.5","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0555","0.0435","","","0.1107","0.1166","","","","","","1.076","","","","has coordinates","243068","2020-10-21","18:00:00",""
"4133237","10.593","0.002","19.456","0.004","21.861","0.006","90","","118.01","0.02","90","","3977.7","1.7","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C39 H51 Cl9 -","- C39 H51 Cl9 -","- C156 H204 Cl36 -","4","1","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.212","0.0635","","","0.1124","0.1508","","","","","","0.823","","","","has coordinates,has disorder","243069","2020-10-21","18:00:00",""
"4133238","20.4549","0.0005","19.4089","0.0005","23.0083","0.0006","90","","94.7795","0.0014","90","","9102.7","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C55 H76 O -","- C55.0028 H76.0038 O1.00005 -","- C440.022 H608.03 O8.0004 -","8","2","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","1.54178","CuKα","","0.1131","0.104","","","0.2985","0.3092","","","","","","1.038","","","","has coordinates,has disorder","243070","2020-10-21","18:00:00",""
"4133239","11.3602","0.0013","21.871","0.002","32.332","0.004","90","","90","","90","","8033.2","1.5","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H33 Cl -","- C26 H33 Cl -","- C416 H528 Cl16 -","16","2","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.1192","0.0694","","","0.1367","0.1575","","","","","","1.028","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4133240","13.8958","0.0005","14.0534","0.0005","14.3343","0.0005","77.366","0.0014","70.7236","0.0013","78.8692","0.0014","2556.05","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C140 H108 O2 -","- C140 H108 O2 -","- C140 H108 O2 -","1","0.5","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0709","0.0481","","","0.1046","0.1149","","","","","","1.042","","","","has coordinates,has disorder","243072","2020-10-21","18:00:00",""
"4133241","10.086","0.002","34.47","0.007","9.927","0.002","90","","94.27","0.03","90","","3441.7","1.2","190","2","190","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H51 Br -","- C37 H51 Br -","- C148 H204 Br4 -","4","1","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.082","0.0455","","","0.1103","0.126","","","","","","0.973","","","","has coordinates,has disorder","243073","2020-10-21","18:00:00",""
"4133242","15.5467","0.0015","15.551","0.0015","20.3357","0.0019","69.259","0.003","86.608","0.003","81.081","0.003","4542.2","0.8","101","2","101","2","","","","","","","","2","P -1","-P 1","2","","","","- C55 H76 -","- C55 H76 -","- C220 H304 -","4","2","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.1266","0.0909","","","0.2416","0.2663","","","","","","1.06","","","","has coordinates,has disorder","243074","2020-10-21","18:00:00",""
"4133243","10.1775","0.0004","34.3842","0.0014","9.6944","0.0004","90","","95.3263","0.0013","90","","3377.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H51 Cl -","- C36.9988 H50.9983 Cl -","- C147.995 H203.993 Cl4 -","4","1","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0621","0.0506","","","0.1237","0.1301","","","","","","1.065","","","","has coordinates,has disorder","243075","2020-10-21","18:00:00",""
"4133244","18.4517","0.001","38.562","0.002","11.4056","0.0006","90","","90","","90","","8115.5","0.7","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C26 H33 I -","- C26 H33 I -","- C416 H528 I16 -","16","1","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0187","0.0183","","","0.041","0.0411","","","","","","1.23","","","","has coordinates","243076","2020-10-21","18:00:00",""
"4133245","23.5536","0.001","13.4374","0.0005","21.2696","0.0008","90","","97.976","0.003","90","","6666.7","0.5","173","0.1","173","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C74 H102 O2 -","- C74 H102 O2 -","- C296 H408 O8 -","4","0.5","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","x-ray","1.54184","CuKα","","0.1109","0.0813","","","0.2304","0.2667","","","","","","1.068","","","","has coordinates,has disorder","243077","2020-10-21","18:00:00",""
"4133246","11.5417","0.0006","6.9746","0.0004","24.1738","0.0013","90","","93.308","0.002","90","","1942.72","0.18","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 -","- C26 H34 -","- C104 H136 -","4","1","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","1.54178","CuKα","","0.0631","0.0604","","","0.1424","0.144","","","","","","1.15","","","","has coordinates","243078","2020-10-21","18:00:00",""
"4133247","14.0036","0.0005","30.433","0.0011","18.9714","0.0007","90","","111.484","0.0014","90","","7523.3","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C43 H64 O -","- C43 H64 O -","- C344 H512 O8 -","8","2","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0718","0.0517","","","0.1163","0.1262","","","","","","1.035","","","","has coordinates,has disorder","243079","2020-10-21","18:00:00",""
"4133248","14.2696","0.0008","37.998","0.002","14.4381","0.0008","90","","95.9972","0.0019","90","","7785.7","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C43 H64 O -","- C43 H64 O -","- C344 H512 O8 -","8","2","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0861","0.0615","","","0.132","0.1422","","","","","","1.077","","","","has coordinates,has disorder","243080","2020-10-21","18:00:00",""
"4133249","23.2294","0.0011","23.2294","0.0011","10.0567","0.0005","90","","90","","120","","4699.6","0.4","100","2","100","2","","","","","","","","2","P 3","P 3","143","","","","- C37 H52 -","- C37 H52 -","- C222 H312 -","6","2","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","1.54178","CuKα","","0.0967","0.0801","","","0.2068","0.221","","","","","","1.046","","","","has coordinates,has disorder","243081","2020-10-21","18:00:00",""
"4133250","12.6525","0.0005","9.5748","0.0004","17.5463","0.0007","90","","109.533","0.0014","90","","2003.31","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 O -","- C25 H28 O -","- C100 H112 O4 -","4","1","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0545","0.045","","","0.1144","0.1203","","","","","","1.017","","","","has coordinates","243082","2020-10-21","18:00:00",""
"4133251","25.9425","0.0018","15.1325","0.001","25.2819","0.0017","90","","103.379","0.0019","90","","9655.7","1.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C114 H158 O3 -","- C114 H158 O3 -","- C456 H632 O12 -","4","0.5","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0686","0.0631","","","0.1626","0.1668","","","","","","1.087","","","","has coordinates,has disorder","243083","2020-10-21","18:00:00",""
"4133252","20.4052","0.0016","18.9266","0.0014","23.252","0.0017","90","","93.788","0.002","90","","8960.3","1.2","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C110 H151 -","- C110.018 H151.025 -","- C440.072 H604.1 -","4","1","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0857","0.0663","","","0.1679","0.1827","","","","","","1.029","","","","has coordinates,has disorder","243084","2020-10-21","18:00:00",""
"4133253","11.309","0.0005","13.9251","0.0006","14.1513","0.0006","119.435","0.0014","91.4672","0.0018","97.0346","0.0017","1916.74","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C110 H78 O2 -","- C110 H78 O2 -","- C110 H78 O2 -","1","0.5","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.063","0.0482","","","0.1133","0.1208","","","","","","1.038","","","","has coordinates","243085","2020-10-21","18:00:00",""
"4133254","16.1705","0.0017","16.7215","0.0017","17.0809","0.0017","96.565","0.004","110.299","0.004","111.443","0.004","3875","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C200 H240 O2 -","- C200 H240 O2 -","- C200 H240 O2 -","1","0.5","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0768","0.0527","","","0.1215","0.1338","","","","","","1.026","","","","has coordinates,has disorder","243086","2020-10-21","18:00:00",""
"4133255","11.8324","0.0005","11.8564","0.0004","12.4505","0.0005","93.443","0.002","91.068","0.002","105.257","0.002","1681","0.11","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H72 N2 O12 -","- C70 H72 N2 O12 -","- C70 H72 N2 O12 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0756","0.0527","","","0.1293","0.1418","","","","","","1.04","","","","has coordinates,has disorder","243087","2020-10-21","18:00:00",""
"4133256","17.8845","0.0007","15.4597","0.0006","25.0685","0.0009","90","","97.972","0.003","90","","6864.2","0.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C75 H78 N8 O10 -","- C75 H78 N8 O10 -","- C300 H312 N32 O40 -","4","1","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.1598","0.0834","","","0.2202","0.2633","","","","","","1.037","","","","has coordinates","243088","2020-10-21","18:00:00",""
"4133257","13.6519","0.0008","15.7069","0.0009","17.7443","0.001","90","","93.209","0.003","90","","3798.9","0.4","150","2","150","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C84 H86 N2 O11 -","- C84 H86 N2 O11 -","- C168 H172 N4 O22 -","2","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","x-ray","1.54178","CuKα","","0.1113","0.1025","","","0.3437","0.3583","","","","","","1.632","","","","has coordinates,has disorder","243089","2020-10-21","18:00:00",""
"4133258","11.8762","0.0005","12.101","0.0005","12.2447","0.0005","90.885","0.001","92.499","0.002","103.131","0.002","1711.51","0.12","160","","160","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H75 N3 O11 -","- C70 H75 N3 O11 -","- C70 H75 N3 O11 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0869","0.0818","","","0.3078","0.32","","","","","","1.507","","","","has coordinates,has disorder","243090","2020-10-21","18:00:00",""
"4133259","11.551","0.0008","16.7298","0.0011","17.9121","0.0012","90","","94.897","0.003","90","","3448.8","0.4","150","2","150","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C70 H72 N4 O11 -","- C70 H72 N4 O11 -","- C140 H144 N8 O22 -","2","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0679","0.0568","","","0.1514","0.1589","","","","","","1.044","","","","has coordinates","243091","2020-10-21","18:00:00",""
"4133260","11.6938","0.0008","12.648","0.001","13.6896","0.0009","111.697","0.004","112.056","0.005","96.412","0.004","1668.2","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H74 N2 O12 -","- C69 H74 N2 O12 -","- C69 H74 N2 O12 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","x-ray","1.54178","CuKα","","0.1289","0.1086","","","0.3536","0.3736","","","","","","1.56","","","","has coordinates,has disorder","243092","2020-10-21","18:00:00",""
"4133261","11.9576","0.001","12.13","0.001","12.1777","0.001","91.122","0.004","92.4","0.003","103.052","0.004","1718.4","0.2","160","","160","","","","","","","","","4","P -1","-P 1","2","","","","- C69 H74 N2 O12 -","- C69 H74 N2 O12 -","- C69 H74 N2 O12 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","x-ray","1.54178","CuKα","","0.0618","0.0577","","","0.1515","0.1548","","","","","","1.042","","","","has coordinates,has disorder","243093","2020-10-21","18:00:00",""
"4133262","14.1297","0.0004","15.4771","0.0005","17.635","0.0005","90.663","0.001","94.291","0.001","113.283","0.001","3528.98","0.18","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C82 H88 N6 O11 -","- C82 H88 N6 O11 -","- C164 H176 N12 O22 -","2","1","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0516","0.0474","","","0.1249","0.1286","","","","","","1.031","","","","has coordinates","243094","2020-10-21","18:00:00",""
"4133263","16.721","0.007","16.773","0.008","25.853","0.015","90","","100.627","0.017","90","","7126","6","150.15","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C86 H91 N7 O10 -","- C86 H91 N7 O10 -","- C344 H364 N28 O40 -","4","1","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0891","0.0746","","","0.1919","0.2052","","","","","","1.025","","","","has coordinates,has disorder","243095","2020-10-21","18:00:00",""
"4133264","11.8886","0.0006","12.0858","0.0006","12.2579","0.0006","91.892","0.002","90.473","0.002","103.736","0.002","1709.72","0.15","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H74 N2 O12 -","- C70 H74 N2 O12 -","- C70 H74 N2 O12 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0573","0.0489","","","0.1262","0.1318","","","","","","1.059","","","","has coordinates,has disorder","243096","2020-10-21","18:00:00",""
"4133265","13.286","0.003","20.911","0.004","12.852","0.003","90","","75.33","0.03","90","","3454.2","1.4","148","2","148.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C69 H71 N3 O11 -","- C69 H69 N3 O11 -","- C138 H138 N6 O22 -","2","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0832","0.0779","","","0.2269","0.2327","","","","","","1.089","","","","has coordinates,has disorder","243097","2020-10-21","18:00:00",""
"4133266","11.856","0.0005","11.8594","0.0005","12.5172","0.0005","89.974","0.002","86.799","0.002","73.599","0.002","1685.52","0.12","150","","150.01","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H70 N4 O10 -","- C70 H70 N4 O10 -","- C70 H70 N4 O10 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0492","0.044","","","0.1125","0.1167","","","","","","1.036","","","","has coordinates,has disorder","243098","2020-10-21","18:00:00",""
"4133267","11.9332","0.0006","12.1357","0.0006","12.1476","0.0006","92.363","0.003","103.597","0.003","90.206","0.003","1708.27","0.15","160","","160","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H77 N3 O10 -","- C70 H77 N3 O10 -","- C70 H77 N3 O10 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0859","0.065","","","0.1636","0.1767","","","","","","1.046","","","","has coordinates,has disorder","243099","2020-10-21","18:00:00",""
"4133268","11.6154","0.0005","12.7648","0.0005","13.8417","0.0006","112.66","0.003","111.734","0.003","96.511","0.002","1678.92","0.14","160","","160","","","","","","","","","4","P -1","-P 1","2","","","","- C69 H72 N2 O13 -","- C69 H72 N2 O13 -","- C69 H72 N2 O13 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.1383","0.1113","","","0.3102","0.3342","","","","","","1.076","","","","has coordinates,has disorder","243100","2020-10-21","18:00:00",""
"4133269","17.764","0.0006","15.6487","0.0006","24.7929","0.0009","90","","92.274","0.002","90","","6886.6","0.4","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H72 N4 O10 S2 -","- C72 H72 N4 O10 S2 -","- C288 H288 N16 O40 S8 -","4","1","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.1025","0.0827","","","0.2361","0.2562","","","","","","1.022","","","","has coordinates,has disorder","243101","2020-10-21","18:00:00",""
"4133270","27.11","0.003","21.353","0.003","60.606","0.007","90","","91.001","0.006","90","","35078","7","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C273 H281 Ag43 Cl2 P4 S25 -","- C273 H281 Ag43 Cl2 P4 S25 -","- C1092 H1124 Ag172 Cl8 P16 S100 -","4","1","","Chai, Jinsong; Yang, Sha; Lv, Ying; Chen, Tao; Wang, Shuxin; Yu, Haizhu; Zhu, Manzhou","A Unique Pair: Ag<sub>40</sub> and Ag<sub>46</sub> Nanoclusters with the Same Surface but Different Cores for Structure-Property Correlation.","Journal of the American Chemical Society","2018","140","46","15582","15585","10.1021/jacs.8b09162","","","0.71073","MoKα","","0.1151","0.0781","","","0.2364","0.2537","","","","","","1.084","","","","has coordinates","243102","2020-10-21","18:00:00",""
"4133271","22.9163","0.0008","23.0825","0.0008","23.4244","0.0008","112.218","0.002","97.802","0.002","116.569","0.002","9538.5","0.7","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C352 H354 Ag45.98 Cl4 O6 P8 S26 -","- C352 H354 Ag45.978 Cl4 O6 P8 S26 -","- C352 H354 Ag45.978 Cl4 O6 P8 S26 -","1","0.5","","Chai, Jinsong; Yang, Sha; Lv, Ying; Chen, Tao; Wang, Shuxin; Yu, Haizhu; Zhu, Manzhou","A Unique Pair: Ag<sub>40</sub> and Ag<sub>46</sub> Nanoclusters with the Same Surface but Different Cores for Structure-Property Correlation.","Journal of the American Chemical Society","2018","140","46","15582","15585","10.1021/jacs.8b09162","","","0.71073","MoKα","","0.1564","0.082","","","0.2062","0.2665","","","","","","1.015","","","","has coordinates","243103","2020-10-21","18:00:00",""
"4133272","7.4991","0.0003","16.1174","0.0006","9.0582","0.0004","90","","96.884","0.004","90","","1086.94","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H23 B F4 N2 O -","- C25 H23 B F4 N2 O -","- C50 H46 B2 F8 N4 O2 -","2","1","","Li, Xiang; Zhou, Bo; Yang, Run-Ze; Yang, Fu-Ming; Liang, Ren-Xiao; Liu, Ren-Rong; Jia, Yi-Xia","Palladium-Catalyzed Enantioselective Intramolecular Dearomative Heck Reaction.","Journal of the American Chemical Society","2018","140","42","13945","13951","10.1021/jacs.8b09186","","","1.54178","CuKα","","0.0369","0.0337","","","0.0858","0.0885","","","","","","1.044","","","","has coordinates","243104","2020-10-21","18:00:00",""
"4133273","8.9313","0.0003","12.0973","0.0005","12.7783","0.0005","90","","90","","90","","1380.63","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Li, Xiang; Zhou, Bo; Yang, Run-Ze; Yang, Fu-Ming; Liang, Ren-Xiao; Liu, Ren-Rong; Jia, Yi-Xia","Palladium-Catalyzed Enantioselective Intramolecular Dearomative Heck Reaction.","Journal of the American Chemical Society","2018","140","42","13945","13951","10.1021/jacs.8b09186","","","1.54178","CuKα","","0.0308","0.0281","","","0.0765","0.0793","","","","","","1.003","","","","has coordinates","243105","2020-10-21","18:00:00",""
"4133274","10.5827","0.0007","13.954","0.001","17.8701","0.001","104.664","0.005","105.533","0.005","104.296","0.006","2315.2","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H64 Co N4 O5 -","- C52 H64 Co N4 O5 -","- C104 H128 Co2 N8 O10 -","2","1","","Paquette, Michelle M.; Plaul, Daniel; Kurimoto, Aiko; Patrick, Brian O.; Frank, Natia L.","Opto-Spintronics: Photoisomerization-Induced Spin State Switching at 300 K in Photochrome Cobalt-Dioxolene Thin Films.","Journal of the American Chemical Society","2018","140","44","14990","15000","10.1021/jacs.8b09190","","","1.54178","CuKα","","0.1732","0.0764","","","0.1424","0.1716","","","","","","1.03","","","","has coordinates","243106","2020-10-21","18:00:00",""
"4133275","10.6434","0.0014","11.5563","0.0014","15.779","0.002","101.439","0.003","98.369","0.004","104.009","0.003","1807","0.4","149","2","149","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H50 Au N3 -","- C43 H50 Au N3 -","- C86 H100 Au2 N6 -","2","1","","Tang, Man-Chung; Leung, Ming-Yi; Lai, Shiu-Lun; Ng, Maggie; Chan, Mei-Yee; Wing-Wah Yam, Vivian","Realization of Thermally Stimulated Delayed Phosphorescence in Arylgold(III) Complexes and Efficient Gold(III) Based Blue-Emitting Organic Light-Emitting Devices.","Journal of the American Chemical Society","2018","140","40","13115","13124","10.1021/jacs.8b09205","","","0.71073","MoKα","","0.0298","0.0215","","","0.0426","0.0444","","","","","","1.067","","","","has coordinates","243107","2020-10-21","18:00:00",""
"4133276","17.1108","0.0008","10.1518","0.0005","23.0061","0.0011","90","","94.888","0.002","90","","3981.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H51 Au F3 N3 O -","- C44 H51 Au F3 N3 O -","- C176 H204 Au4 F12 N12 O4 -","4","1","","Tang, Man-Chung; Leung, Ming-Yi; Lai, Shiu-Lun; Ng, Maggie; Chan, Mei-Yee; Wing-Wah Yam, Vivian","Realization of Thermally Stimulated Delayed Phosphorescence in Arylgold(III) Complexes and Efficient Gold(III) Based Blue-Emitting Organic Light-Emitting Devices.","Journal of the American Chemical Society","2018","140","40","13115","13124","10.1021/jacs.8b09205","","","0.71073","MoKα","","0.0736","0.0495","","","0.1075","0.1182","","","","","","1.055","","","","has coordinates,has disorder","243108","2020-10-21","18:00:00",""
"4133277","7.3969","0.0004","22.2469","0.0011","20.6523","0.001","90","","98.442","0.001","90","","3361.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H40 Au F2 N3 -","- C39 H40 Au F2 N3 -","- C156 H160 Au4 F8 N12 -","4","1","","Tang, Man-Chung; Leung, Ming-Yi; Lai, Shiu-Lun; Ng, Maggie; Chan, Mei-Yee; Wing-Wah Yam, Vivian","Realization of Thermally Stimulated Delayed Phosphorescence in Arylgold(III) Complexes and Efficient Gold(III) Based Blue-Emitting Organic Light-Emitting Devices.","Journal of the American Chemical Society","2018","140","40","13115","13124","10.1021/jacs.8b09205","","","0.71073","MoKα","","0.0317","0.0277","","","0.0684","0.0707","","","","","","1.036","","","","has coordinates","243109","2020-10-21","18:00:00",""
"4133278","5.3608","0.0003","7.6509","0.0004","8.9401","0.0006","93.728","0.006","94.854","0.005","105.912","0.004","349.87","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","bis(Methanesulfonyl)peroxide","(((Methylsulfonyl)peroxy)sulfonyl)methane","","- C2 H6 O6 S2 -","- C2 H6 O6 S2 -","- C4 H12 O12 S4 -","2","1","","Börgel, Jonas; Tanwar, Lalita; Berger, Florian; Ritter, Tobias","Late-Stage Aromatic C-H Oxygenation.","Journal of the American Chemical Society","2018","140","47","16026","16031","10.1021/jacs.8b09208","","","0.71073","MoKα","","0.0366","0.0304","","","0.0788","0.0831","","","","","","1.044","","","","has coordinates","243110","2020-10-21","18:00:00",""
"4133279","10.1535","0.0002","18.4694","0.0005","21.3666","0.0005","90","","93.9442","0.0011","90","","3997.37","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 B F15 Ge Hf Si2 -","- C40 H34 B F15 Ge Hf Si2 -","- C160 H136 B4 F60 Ge4 Hf4 Si8 -","4","1","","Dong, Zhaowen; Cramer, Hanna H.; Schmidtmann, Marc; Paul, Lucas A.; Siewert, Inke; Müller, Thomas","Evidence for a Single Electron Shift in a Lewis Acid-Base Reaction.","Journal of the American Chemical Society","2018","140","45","15419","15424","10.1021/jacs.8b09214","","","0.71073","MoKα","","0.0419","0.0265","","","0.0544","0.0593","","","","","","1.005","","","","has coordinates","243111","2020-10-21","18:00:00",""
"4133280","25.1613","0.0006","12.6112","0.0003","36.1806","0.0009","90","","91.2732","0.0013","90","","11477.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H50 B F20 Ge Hf Si2 -","- C60 H50 B F20 Ge Hf Si2 -","- C480 H400 B8 F160 Ge8 Hf8 Si16 -","8","2","","Dong, Zhaowen; Cramer, Hanna H.; Schmidtmann, Marc; Paul, Lucas A.; Siewert, Inke; Müller, Thomas","Evidence for a Single Electron Shift in a Lewis Acid-Base Reaction.","Journal of the American Chemical Society","2018","140","45","15419","15424","10.1021/jacs.8b09214","","","0.71073","MoKα","","0.0869","0.0458","","","0.0813","0.0919","","","","","","1.031","","","","has coordinates,has disorder","243112","2020-10-21","18:00:00",""
"4133281","9.2339","0.0004","19.4522","0.0009","16.5267","0.0008","90","","98.7615","0.0014","90","","2933.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Si -","- C34 H48 Si -","- C136 H192 Si4 -","4","1","","Dong, Zhaowen; Cramer, Hanna H.; Schmidtmann, Marc; Paul, Lucas A.; Siewert, Inke; Müller, Thomas","Evidence for a Single Electron Shift in a Lewis Acid-Base Reaction.","Journal of the American Chemical Society","2018","140","45","15419","15424","10.1021/jacs.8b09214","","","0.71073","MoKα","","0.065","0.0507","","","0.1355","0.1447","","","","","","1.078","","","","has coordinates,has disorder","243113","2020-10-21","18:00:00",""
"4133282","8.3958","0.0004","9.7344","0.0005","18.4678","0.0009","90","","90","","90","","1509.34","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O4 S -","- C17 H15 N O4 S -","- C68 H60 N4 O16 S4 -","4","1","","Li, Yanjun; Zhou, Kexu; Wen, Zhaorui; Cao, Shi; Shen, Xiang; Lei, Meng; Gong, Lei","Copper(II)-Catalyzed Asymmetric Photoredox Reactions: Enantioselective Alkylation of Imines Driven by Visible Light.","Journal of the American Chemical Society","2018","140","46","15850","15858","10.1021/jacs.8b09251","","","0.71073","MoKα","","0.0464","0.0399","","","0.0936","0.1009","","","","","","1.026","","","","has coordinates","243114","2020-10-21","18:00:00",""
"4133283","14.1079","0.0008","20.7305","0.0013","32.5579","0.0019","90","","90","","90","","9522","1","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C86 H99 B2 Cl12 Cu2 F8 N4 O9 -","- C86 H99 B2 Cl12 Cu2 F8 N4 O9 -","- C344 H396 B8 Cl48 Cu8 F32 N16 O36 -","4","1","","Li, Yanjun; Zhou, Kexu; Wen, Zhaorui; Cao, Shi; Shen, Xiang; Lei, Meng; Gong, Lei","Copper(II)-Catalyzed Asymmetric Photoredox Reactions: Enantioselective Alkylation of Imines Driven by Visible Light.","Journal of the American Chemical Society","2018","140","46","15850","15858","10.1021/jacs.8b09251","","","1.54184","CuKα","","0.0991","0.0766","","","0.201","0.2353","","","","","","1.038","","","","has coordinates,has disorder","243115","2020-10-21","18:00:00",""
"4133284","25.154","0.002","11.917","0.0009","15.3471","0.0011","90","","98.553","0.007","90","","4549.3","0.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49 H55 B Ge K O7 P -","- C49 H55 B Ge K O7 P -","- C196 H220 B4 Ge4 K4 O28 P4 -","4","0.5","","Szkop, Kevin M.; Jupp, Andrew R.; Stephan, Douglas W.","P, P-Dimethylformylphosphine: The Phosphorus Analogue of N, N-Dimethylformamide.","Journal of the American Chemical Society","2018","140","40","12751","12755","10.1021/jacs.8b09266","","","0.71073","MoKα","","0.1347","0.0767","","","0.1954","0.2087","","","","","","1.103","","","","has coordinates,has disorder","243116","2020-10-21","18:00:00",""
"4133285","6.4177","0.0003","28.9354","0.0015","25.7657","0.0014","90","","92.35","0.002","90","","4780.6","0.4","423","2","423","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20.67 Cl2 O P Ru -","- C13 H20.6667 Cl2 O P Ru -","- C156 H248 Cl24 O12 P12 Ru12 -","12","3","","Szkop, Kevin M.; Jupp, Andrew R.; Stephan, Douglas W.","P, P-Dimethylformylphosphine: The Phosphorus Analogue of N, N-Dimethylformamide.","Journal of the American Chemical Society","2018","140","40","12751","12755","10.1021/jacs.8b09266","","","0.71073","MoKα","","0.0428","0.0375","","","0.0778","0.0796","","","","","","1.172","","","","has coordinates,has disorder","243117","2020-10-21","18:00:00",""
"4133286","11.0864","0.0007","12.6716","0.0008","23.6012","0.0015","86.285","0.003","76.55","0.003","68.456","0.003","2998.6","0.3","100","2","100.01","","","","","","","","","10","P -1","-P 1","2","","","","- C68 H69 B Cl Fe N2 O P Pt S2 -","- C68 H69 B Cl Fe N2 O P Pt S2 -","- C136 H138 B2 Cl2 Fe2 N4 O2 P2 Pt2 S4 -","2","1","","Cheng, Ho Fung; d'Aquino, Andrea I; Barroso-Flores, Joaquín; Mirkin, Chad A.","A Redox-Switchable, Allosteric Coordination Complex.","Journal of the American Chemical Society","2018","140","44","14590","14594","10.1021/jacs.8b09321","","","0.71073","MoKα","","0.0591","0.0525","","","0.1172","0.1203","","","","","","1.097","","","","has coordinates","243118","2020-10-21","18:00:00",""
"4133287","17.862","0.004","9.0804","0.0018","15.254","0.003","90","","99.06","0.03","90","","2443.2","0.9","100","2","99.94","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl4 Fe N2 Pt S -","- C22 H24 Cl4 Fe N2 Pt S -","- C88 H96 Cl16 Fe4 N8 Pt4 S4 -","4","1","","Cheng, Ho Fung; d'Aquino, Andrea I; Barroso-Flores, Joaquín; Mirkin, Chad A.","A Redox-Switchable, Allosteric Coordination Complex.","Journal of the American Chemical Society","2018","140","44","14590","14594","10.1021/jacs.8b09321","","","0.71073","MoKα","","0.0384","0.0281","","","0.0539","0.0569","","","","","","0.986","","","","has coordinates,has disorder","243119","2020-10-21","18:00:00",""
"4133288","11.8881","0.0004","9.8041","0.0004","18.9098","0.0008","90","","94.289","0.002","90","","2197.81","0.15","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 B2 F8 Fe N2 S -","- C20 H21 B2 F8 Fe N2 S -","- C80 H84 B8 F32 Fe4 N8 S4 -","4","1","","Cheng, Ho Fung; d'Aquino, Andrea I; Barroso-Flores, Joaquín; Mirkin, Chad A.","A Redox-Switchable, Allosteric Coordination Complex.","Journal of the American Chemical Society","2018","140","44","14590","14594","10.1021/jacs.8b09321","","","0.71073","MoKα","","0.0942","0.0713","","","0.16","0.1698","","","","","","1.159","","","","has coordinates,has disorder","243120","2020-10-21","18:00:00",""
"4133289","17.6572","0.0008","11.1718","0.0004","9.4143","0.0006","90","","98.445","0.004","90","","1836.95","0.16","100","2","100.09","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl Fe N2 O0.5 S -","- C20 H22 Cl Fe N2 O0.5 S -","- C80 H88 Cl4 Fe4 N8 O2 S4 -","4","1","","Cheng, Ho Fung; d'Aquino, Andrea I; Barroso-Flores, Joaquín; Mirkin, Chad A.","A Redox-Switchable, Allosteric Coordination Complex.","Journal of the American Chemical Society","2018","140","44","14590","14594","10.1021/jacs.8b09321","","","0.71073","MoKα","","0.0782","0.0499","","","0.0812","0.089","","","","","","1.051","","","","has coordinates","243121","2020-10-21","18:00:00",""
"4133290","9.755","0.002","10.735","0.003","20.825","0.005","88.803","0.006","79.374","0.007","79.79","0.006","2109.3","0.9","100","2","100.02","","","","","","","","","10","P -1","-P 1","2","","","","- C41 H41 B2 Cl2 F8 Fe N2 P Pt S2 -","- C41 H41 B2 Cl2 F8 Fe N2 P Pt S2 -","- C82 H82 B4 Cl4 F16 Fe2 N4 P2 Pt2 S4 -","2","1","","Cheng, Ho Fung; d'Aquino, Andrea I; Barroso-Flores, Joaquín; Mirkin, Chad A.","A Redox-Switchable, Allosteric Coordination Complex.","Journal of the American Chemical Society","2018","140","44","14590","14594","10.1021/jacs.8b09321","","","0.71073","MoKα","","0.0364","0.0305","","","0.079","0.0808","","","","","","1.063","","","","has coordinates","243122","2020-10-21","18:00:00",""
"4133291","9.981","0.0005","10.8463","0.0005","9.8571","0.0005","103.871","0.003","103.223","0.003","95.421","0.004","995.85","0.09","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Mn2 N12 W -","- C14 H8 Mn2 N12 W -","- C28 H16 Mn4 N24 W2 -","2","1","","Magott, Michał; Reczyński, Mateusz; Gaweł, Bartłomiej; Sieklucka, Barbara; Pinkowicz, Dawid","A Photomagnetic Sponge: High-Temperature Light-Induced Ferrimagnet Controlled by Water Sorption.","Journal of the American Chemical Society","2018","140","46","15876","15882","10.1021/jacs.8b09322","powder diffraction","x-ray","1.5418","CoKα","","0.0299","0.0296","","0.0363","0.0363","","","","1.83","","","","","","","has coordinates","243123","2020-10-21","18:00:00",""
"4133292","12.8769","0.0001","20.105","0.0002","25.9848","0.0003","86.853","0.001","84.592","0.001","89.208","0.001","6686.91","0.12","150.01","0.11","150.01","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C66 H72 B F24 P2 Rh -","- C66 H72 B F24 P2 Rh -","- C264 H288 B4 F96 P8 Rh4 -","4","2","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0494","0.0421","","","0.1046","0.1102","","","","","","1.038","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133293","19.5269","0.0002","34.2076","0.0004","20.0095","0.0002","90","","94.0077","0.0009","90","","13333","0.2","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H70 B F24 P2 Rh -","- C66 H70 B F24 P2 Rh -","- C528 H560 B8 F192 P16 Rh8 -","8","2","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0519","0.0393","","","0.0991","0.107","","","","","","1.028","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133294","19.0717","0.0001","17.8106","0.0001","19.8381","0.0001","90","","92.228","0.001","90","","6733.48","0.06","149.9","0.4","149.9","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H74 B F24 P2 Rh -","- C66 H74 B F24 P2 Rh -","- C264 H296 B4 F96 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0357","0.0328","","","0.0859","0.0884","","","","","","1.056","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133295","19.4403","0.0002","17.1515","0.0002","20.2397","0.0002","90","","92.845","0.001","90","","6740.21","0.12","150.01","0.1","150.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H74 B F24 P2 Rh -","- C67 H74 B F23.994 P2 Rh -","- C268 H296 B4 F95.976 P8 Rh4 -","4","0.5","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0405","0.0392","","","0.1004","0.1015","","","","","","1.045","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133296","18.9278","0.001","18.8687","0.0006","19.0357","0.0005","90","","92.417","0.003","90","","6792.4","0.5","150","2","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H78 B F24 P2 Rh -","- C67 H78 B F24 P2 Rh -","- C268 H312 B4 F96 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","","0.6889","synchrotron","","0.0971","0.0727","","","0.2135","0.2393","","","","","","1.096","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133297","19.47695","0.00014","17.24051","0.00012","20.25038","0.00014","90","","94.11","0.0007","90","","6782.44","0.08","149.9","0.3","149.9","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H72 B F24 P2 Rh -","- C67 H72 B F24 P2 Rh -","- C268 H288 B4 F96 P8 Rh4 -","4","0.5","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0538","0.0513","","","0.1354","0.1382","","","","","","1.058","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133298","19.0032","0.00012","18.02691","0.00011","20.0666","0.00011","90","","92.2234","0.0006","90","","6869.02","0.07","150","0.4","150","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H76 B F24 P2 Rh -","- C67 H76 B F24 P2 Rh -","- C268 H304 B4 F96 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0425","0.0388","","","0.1024","0.1067","","","","","","1.032","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133299","19.707","0.0004","34.3875","0.0008","20.3368","0.0004","90","","94.0465","0.0018","90","","13747.4","0.5","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H76 B F24 P2 Rh -","- C68 H76 B F24 P2 Rh -","- C544 H608 B8 F192 P16 Rh8 -","8","2","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.117","0.0834","","","0.2148","0.2329","","","","","","0.938","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133300","20.2541","0.0005","17.6079","0.0003","79.0504","0.0015","90","","96.729","0.002","90","","27997.7","1","150","0.1","150","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C68 H74 B F24 P2 Rh -","- C68 H74 B F24 P2 Rh -","- C1088 H1184 B16 F384 P32 Rh16 -","16","2","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0613","0.0533","","","0.1447","0.1538","","","","","","1.034","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133301","20.6397","0.0007","17.8","0.0005","77.042","0.002","90","","94.612","0.003","90","","28212.6","1.4","150","","150","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C136 H154 B2 F48 P4 Rh2 -","- C136 H154 B2 F48 P4 Rh2 -","- C1088 H1232 B16 F384 P32 Rh16 -","8","1","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","","0.6889","synchrotron","","0.2238","0.158","","","0.3934","0.4456","","","","","","1.459","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133302","13.7187","0.0001","16.7165","0.0001","29.163","0.0002","90","","93.382","0.001","90","","6676.26","0.08","150","0.4","150","0.4","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H68 B Cl2 F24 P2 Rh -","- C62 H68 B Cl2 F24 P2 Rh -","- C248 H272 B4 Cl8 F96 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.04","0.0372","","","0.0991","0.102","","","","","","1.029","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133303","14.3089","0.0001","17.4465","0.0002","27.6835","0.0002","90","","94.654","0.001","90","","6888.13","0.11","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H78 B F24 P2 Rh -","- C69 H78 B F23.994 P2 Rh -","- C276 H312 B4 F95.976 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0407","0.0368","","","0.0984","0.1018","","","","","","1.016","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133304","14.4218","0.0003","17.6642","0.0006","27.4924","0.0005","90","","94.5641","0.0018","90","","6981.5","0.3","149.99","0.16","149.99","0.16","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H78.98 B F24 P2 Rh -","- C69 H78.9771 B F24 P2 Rh -","- C276 H315.908 B4 F96 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.1197","0.0961","","","0.2751","0.2992","","","","","","1.057","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133305","25.7941","0.0007","7.4589","0.0002","20.1543","0.0006","90","","90.743","0.003","90","","3877.27","0.19","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 B F4 N -","- C24 H20 B F4 N -","- C192 H160 B8 F32 N8 -","8","1","","Karim, Alavi; Schulz, Nils; Andersson, Hanna; Nekoueishahraki, Bijan; Carlsson, Anna-Carin C; Sarabi, Daniel; Valkonen, Arto; Rissanen, Kari; Gräfenstein, Jürgen; Keller, Sandro; Erdélyi, Máté","Carbon's Three-Center, Four-Electron Tetrel Bond, Treated Experimentally.","Journal of the American Chemical Society","2018","140","50","17571","17579","10.1021/jacs.8b09367","","","1.54184","CuKα","","0.1164","0.1142","","","0.3662","0.3671","","","","","","1.14","","","","has coordinates","243126","2020-10-21","18:00:00",""
"4133306","15.571","0.003","9.728","0.002","16.373","0.004","90","","100.123","0.008","90","","2441.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 F3 N4 O4 -","- C27 H24 F3 N4 O4 -","- C108 H96 F12 N16 O16 -","4","1","","Basnet, Prakash; Kc, Shekhar; Dhungana, Roshan K.; Shrestha, Bijay; Boyle, Timothy J.; Giri, Ramesh","Synergistic Bimetallic Ni/Ag and Ni/Cu Catalysis for Regioselective γ,δ-Diarylation of Alkenyl Ketimines: Addressing β-H Elimination by in Situ Generation of Cationic Ni(II) Catalysts.","Journal of the American Chemical Society","2018","140","46","15586","15590","10.1021/jacs.8b09401","","","0.71073","MoKα","","0.1836","0.0697","","","0.163","0.2188","","","","","","0.941","","","","has coordinates","243127","2020-10-21","18:00:00",""
"4133307","11.5281","0.0003","9.2306","0.0002","30.703","0.0007","90","","96.237","0.001","90","","3247.81","0.13","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H40 Br N3 O3 -","- C33 H40 Br N3 O3 -","- C132 H160 Br4 N12 O12 -","4","2","","Zhong, Feng; Yue, Wen-Jun; Zhang, Hai-Jun; Zhang, Cheng-Yuan; Yin, Liang","Catalytic Asymmetric Construction of Halogenated Stereogenic Carbon Centers by Direct Vinylogous Mannich-Type Reaction.","Journal of the American Chemical Society","2018","140","45","15170","15175","10.1021/jacs.8b09484","","","0.71073","MoKα","","0.0614","0.0337","","","0.0654","0.0757","","","","","","1.01","","","","has coordinates","243128","2020-10-21","18:00:00",""
"4133308","11.1116","0.0014","10.1824","0.0013","12.4713","0.0016","90","","101.661","0.003","90","","1381.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H30 Cl N3 O3 -","- C31 H30 Cl N3 O3 -","- C62 H60 Cl2 N6 O6 -","2","1","","Zhong, Feng; Yue, Wen-Jun; Zhang, Hai-Jun; Zhang, Cheng-Yuan; Yin, Liang","Catalytic Asymmetric Construction of Halogenated Stereogenic Carbon Centers by Direct Vinylogous Mannich-Type Reaction.","Journal of the American Chemical Society","2018","140","45","15170","15175","10.1021/jacs.8b09484","","","0.71073","MoKα","","0.0441","0.0394","","","0.0956","0.0992","","","","","","1.043","","","","has coordinates","243129","2020-10-21","18:00:00",""
"4133309","5.5125","0.0001","13.5718","0.0003","14.9","0.0003","90","","90","","90","","1114.74","0.04","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Zhong, Feng; Yue, Wen-Jun; Zhang, Hai-Jun; Zhang, Cheng-Yuan; Yin, Liang","Catalytic Asymmetric Construction of Halogenated Stereogenic Carbon Centers by Direct Vinylogous Mannich-Type Reaction.","Journal of the American Chemical Society","2018","140","45","15170","15175","10.1021/jacs.8b09484","","","1.54178","CuKα","","0.0341","0.0334","","","0.0887","0.0898","","","","","","1.102","","","","has coordinates","243130","2020-10-21","18:00:00",""
"4133310","5.3565","0.0005","22.187","0.002","23.89","0.002","90","","90","","90","","2839.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 F N3 O4 -","- C32 H32 F N3 O4 -","- C128 H128 F4 N12 O16 -","4","1","","Zhong, Feng; Yue, Wen-Jun; Zhang, Hai-Jun; Zhang, Cheng-Yuan; Yin, Liang","Catalytic Asymmetric Construction of Halogenated Stereogenic Carbon Centers by Direct Vinylogous Mannich-Type Reaction.","Journal of the American Chemical Society","2018","140","45","15170","15175","10.1021/jacs.8b09484","","","0.71073","MoKα","","0.0635","0.0436","","","0.0917","0.0996","","","","","","1.006","","","","has coordinates","243131","2020-10-21","18:00:00",""
"4133311","7.1275","0.0002","13.5886","0.0004","8.1305","0.0002","90","","97.048","0.001","90","","781.51","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 N9 O3 -","- C3 H5 N9 O3 -","- C12 H20 N36 O12 -","4","1","","Hu, Lu; Yin, Ping; Zhao, Gang; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Gao, Haixiang; Shreeve, Jean'ne M.","Conjugated Energetic Salts Based on Fused Rings: Insensitive and Highly Dense Materials.","Journal of the American Chemical Society","2018","140","44","15001","15007","10.1021/jacs.8b09519","","","0.71073","MoKα","","0.0442","0.0353","","","0.0925","0.0987","","","","","","1.057","","","","has coordinates","243132","2020-10-21","18:00:00",""
"4133312","25.8059","0.0005","11.555","0.0002","8.0141","0.0002","90","","93.927","0.001","90","","2384.09","0.09","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H10 N12 O7 -","- C3 H10 N12 O7 -","- C24 H80 N96 O56 -","8","1","","Hu, Lu; Yin, Ping; Zhao, Gang; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Gao, Haixiang; Shreeve, Jean'ne M.","Conjugated Energetic Salts Based on Fused Rings: Insensitive and Highly Dense Materials.","Journal of the American Chemical Society","2018","140","44","15001","15007","10.1021/jacs.8b09519","","","1.54178","CuKα","","0.043","0.0397","","","0.0941","0.097","","","","","","1.066","","","","has coordinates,has disorder","243133","2020-10-21","18:00:00",""
"4133313","10.3002","0.0005","5.9834","0.0003","11.2693","0.0006","90","","90.942","0.002","90","","694.44","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H2 N8 O2 -","- C3 H2 N8 O2 -","- C12 H8 N32 O8 -","4","1","","Hu, Lu; Yin, Ping; Zhao, Gang; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Gao, Haixiang; Shreeve, Jean'ne M.","Conjugated Energetic Salts Based on Fused Rings: Insensitive and Highly Dense Materials.","Journal of the American Chemical Society","2018","140","44","15001","15007","10.1021/jacs.8b09519","","","0.71073","MoKα","","0.0489","0.0388","","","0.106","0.1138","","","","","","1.02","","","","has coordinates","243134","2020-10-21","18:00:00",""
"4133314","8.289","0.0004","12.021","0.0005","12.4452","0.0006","64.042","0.002","84.743","0.003","81.763","0.003","1102.88","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H10 N12 O5 -","- C3 H10 N12 O5 -","- C12 H40 N48 O20 -","4","2","","Hu, Lu; Yin, Ping; Zhao, Gang; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Gao, Haixiang; Shreeve, Jean'ne M.","Conjugated Energetic Salts Based on Fused Rings: Insensitive and Highly Dense Materials.","Journal of the American Chemical Society","2018","140","44","15001","15007","10.1021/jacs.8b09519","","","1.54178","CuKα","","0.0923","0.067","","","0.149","0.163","","","","","","1.064","","","","has coordinates","243135","2020-10-21","18:00:00",""
"4133315","16.0554","0.001","6.2996","0.0004","14.4609","0.0009","90","","106.151","0.004","90","","1404.89","0.16","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C64 H72 O12 -","4","1","","Li, Man-Bo; Inge, A. Ken; Posevins, Daniels; Gustafson, Karl P. J.; Qiu, Youai; Bäckvall, Jan-E","Chemodivergent and Diastereoselective Synthesis of γ-Lactones and γ-Lactams: A Heterogeneous Palladium-Catalyzed Oxidative Tandem Process.","Journal of the American Chemical Society","2018","140","44","14604","14608","10.1021/jacs.8b09562","","","1.54178","CuKα","","0.2342","0.0825","","","0.1466","0.1964","","","","","","0.965","","","","has coordinates","243136","2020-10-21","18:00:00",""
"4133316","21.728","","21.728","","21.728","","90","","90","","90","","10257.9","","120","","120","","","","","","","","","8","P -4 3 n","P -4n 2 3","218","","","","- C216 H244 Cl4 Co4 F72 N76 O16 P12 -","- C120 H100 Cl4 Co4 F72 N28 O16 P12 -","- C240 H200 Cl8 Co8 F144 N56 O32 P24 -","2","0.0833333","","Burke, Benjamin P.; Grantham, William; Burke, Michael J.; Nichol, Gary S.; Roberts, David; Renard, Isaline; Hargreaves, Rebecca; Cawthorne, Christopher; Archibald, Stephen J.; Lusby, Paul J.","Visualizing Kinetically Robust Co<sup>III</sup><sub>4</sub>L<sub>6</sub> Assemblies in Vivo: SPECT Imaging of the Encapsulated [<sup>99m</sup>Tc]TcO<sub>4</sub><sup>-</sup> Anion.","Journal of the American Chemical Society","2018","140","49","16877","16881","10.1021/jacs.8b09582","","x-ray","1.54178","CuKα","","0.1452","0.1451","","","0.3653","0.3656","","","","","","1.976","","","","has coordinates,has disorder","243137","2020-10-21","18:00:00",""
"4133317","32.5979","0.0005","32.5979","0.0005","32.5979","0.0005","90","","90","","90","","34639.3","0.9","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","UiO-68-Me","","","- C2.62 H1.38 O0.67 Zr0.12 -","- C2.625 H1.375 O0.666667 Zr0.125 -","- C504 H264 O128 Zr24 -","192","1","","Tan, Chunxia; Han, Xing; Li, Zijian; Liu, Yan; Cui, Yong","Controlled Exchange of Achiral Linkers with Chiral Linkers in Zr-Based UiO-68 Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","47","16229","16236","10.1021/jacs.8b09606","","","0.71073","MoKα","","0.0853","0.0735","","","0.2011","0.2195","","","","","","1.092","","","","has coordinates,has disorder","243138","2020-10-21","18:00:00",""
"4133318","32.0319","0.0007","32.0319","0.0007","32.0319","0.0007","90","","90","","90","","32866.1","1.2","100","2","100","2","","","","","","","","6","F 4 3 2","F 4 2 3","209","UiO-68-Cu","","","- C90 H78 Cu3 N6 O22 Zr3 -","- C90 H78 Cu3 N6 O22 Zr3 -","- C720 H624 Cu24 N48 O176 Zr24 -","8","0.0833333","","Tan, Chunxia; Han, Xing; Li, Zijian; Liu, Yan; Cui, Yong","Controlled Exchange of Achiral Linkers with Chiral Linkers in Zr-Based UiO-68 Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","47","16229","16236","10.1021/jacs.8b09606","","","0.82654","synchrotron","","0.0819","0.0737","","","0.209","0.2172","","","","","","1.087","","","","has coordinates,has disorder","243139","2020-10-21","18:00:00",""
"4133319","6.261","0.0007","7.4076","0.0008","24.242","0.002","90","","90","","90","","1124.3","0.2","175","","175","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","1","","Chen, Kai; Zhang, Shuo-Qing; Brandenberg, Oliver F.; Hong, Xin; Arnold, Frances H.","Alternate Heme Ligation Steers Activity and Selectivity in Engineered Cytochrome P450-Catalyzed Carbene-Transfer Reactions.","Journal of the American Chemical Society","2018","140","48","16402","16407","10.1021/jacs.8b09613","","","1.54178","CuKα","","0.0261","0.0261","","","0.0678","0.0679","","","","","","1.092","","","","has coordinates","243140","2020-10-21","18:00:00",""
"4133320","6.3854","0.0018","6.702","0.002","25.222","0.005","90","","90","","90","","1079.4","0.5","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Br O2 -","- C12 H11 Br O2 -","- C48 H44 Br4 O8 -","4","1","","Chen, Kai; Zhang, Shuo-Qing; Brandenberg, Oliver F.; Hong, Xin; Arnold, Frances H.","Alternate Heme Ligation Steers Activity and Selectivity in Engineered Cytochrome P450-Catalyzed Carbene-Transfer Reactions.","Journal of the American Chemical Society","2018","140","48","16402","16407","10.1021/jacs.8b09613","","","0.71073","MoKα","","0.0262","0.021","","","0.0533","0.0542","","","","","","1.025","","","","has coordinates","243141","2020-10-21","18:00:00",""
"4133321","5.7304","0.0006","8.3275","0.0007","10.4712","0.0008","90","","92.034","0.003","90","","499.37","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9 Br O2 S -","- C10 H9 Br O2 S -","- C20 H18 Br2 O4 S2 -","2","1","","Chen, Kai; Zhang, Shuo-Qing; Brandenberg, Oliver F.; Hong, Xin; Arnold, Frances H.","Alternate Heme Ligation Steers Activity and Selectivity in Engineered Cytochrome P450-Catalyzed Carbene-Transfer Reactions.","Journal of the American Chemical Society","2018","140","48","16402","16407","10.1021/jacs.8b09613","","","0.71073","MoKα","","0.0175","0.0163","","","0.0408","0.0412","","","","","","0.859","","","","has coordinates","243142","2020-10-21","18:00:00",""
"4133322","17.0065","0.0004","17.0065","0.0004","21.4575","0.0006","90","","90","","90","","6206","0.3","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C51.5 H70 F24 Mo2 O11 -","- C51.5 H70 F24 Mo2 O11 -","- C206 H280 F96 Mo8 O44 -","4","0.5","","Zhai, Feng; Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Benzylidene Complexes.","Journal of the American Chemical Society","2018","140","42","13609","13613","10.1021/jacs.8b09616","","","0.71073","MoKα","","0.0446","0.0396","","","0.0847","0.0869","","","","","","1.173","","","","has coordinates,has disorder","243143","2020-10-21","18:00:00",""
"4133323","11.0925","0.0007","15.0304","0.001","34.812","0.003","90","","90.062","0.002","90","","5804","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H76 Mo O5 Si2 -","- C62 H76 Mo O5 Si2 -","- C248 H304 Mo4 O20 Si8 -","4","1","","Zhai, Feng; Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Benzylidene Complexes.","Journal of the American Chemical Society","2018","140","42","13609","13613","10.1021/jacs.8b09616","","","0.71073","MoKα","","0.0506","0.0458","","","0.1139","0.1162","","","","","","1.21","","","","has coordinates,has disorder","243144","2020-10-21","18:00:00",""
"4133324","31.9462","0.0016","11.8211","0.0006","27.6304","0.0014","90","","104.247","0.001","90","","10113.4","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H58 Mo O4 -","- C56 H58 Mo O4 -","- C448 H464 Mo8 O32 -","8","1","","Zhai, Feng; Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Benzylidene Complexes.","Journal of the American Chemical Society","2018","140","42","13609","13613","10.1021/jacs.8b09616","","","0.71073","MoKα","","0.0415","0.035","","","0.0821","0.0853","","","","","","1.123","","","","has coordinates,has disorder","243145","2020-10-21","18:00:00",""
"4133325","21.5299","0.0019","23.117","0.002","11.3996","0.001","90","","90","","90","","5673.7","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H40 F36 Mo2 O11 -","- C44 H40 F36 Mo2 O11 -","- C176 H160 F144 Mo8 O44 -","4","1","","Zhai, Feng; Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Benzylidene Complexes.","Journal of the American Chemical Society","2018","140","42","13609","13613","10.1021/jacs.8b09616","","","0.71073","MoKα","","0.0533","0.0478","","","0.1105","0.1134","","","","","","1.13","","","","has coordinates,has disorder","243146","2020-10-21","18:00:00",""
"4133326","25.8755","0.0002","23.2023","0.0002","17.0251","0.0001","90","","92.263","0.001","90","","10213.4","0.13","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H54 Cl0.5 Cs F0.5 N4 O7 -","- C51.2 H54 Cl0.4 Cs F0.5 N4 O7.1 -","- C409.6 H432 Cl3.2 Cs8 F4 N32 O56.8 -","8","2","","Chi, Xiaodong; Peters, Gretchen M.; Brockman, Chandler; Lynch, Vincent M.; Sessler, Jonathan L.","Controlling Structure Beyond the Initial Coordination Sphere: Complexation-Induced Reversed Micelle Formation in Calix[4]pyrrole-Containing Diblock Copolymers.","Journal of the American Chemical Society","2018","140","41","13219","13222","10.1021/jacs.8b09620","","","0.8","synchrotron","","0.0821","0.0774","","","0.2378","0.2411","","","","","","1.324","","","","has coordinates,has disorder","243147","2020-10-21","18:00:00",""
"4133327","14.248","0.002","18.85","0.003","18.471","0.002","90","","111.445","0.009","90","","4617.4","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 N4 O7 -","- C54 H60 N4 O7 -","- C216 H240 N16 O28 -","4","1","","Chi, Xiaodong; Peters, Gretchen M.; Brockman, Chandler; Lynch, Vincent M.; Sessler, Jonathan L.","Controlling Structure Beyond the Initial Coordination Sphere: Complexation-Induced Reversed Micelle Formation in Calix[4]pyrrole-Containing Diblock Copolymers.","Journal of the American Chemical Society","2018","140","41","13219","13222","10.1021/jacs.8b09620","","","0.71073","MoKα","","0.1846","0.0884","","","0.1672","0.2039","","","","","","1.019","","","","has coordinates,has disorder","243148","2020-10-21","18:00:00",""
"4133328","19.007","0.005","10.872","0.004","27.409","0.008","90","","102.88","0.02","90","","5521","3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H32.08 N O4.54 S2 -","- C31.5 H32.0751 N O4.53755 S2 -","- C252 H256.601 N8 O36.3004 S16 -","8","2","","Hu, Xiaoran; McFadden, Molly E.; Barber, Ross W.; Robb, Maxwell J.","Mechanochemical Regulation of a Photochemical Reaction.","Journal of the American Chemical Society","2018","140","43","14073","14077","10.1021/jacs.8b09628","","","0.71073","MoKα","","0.0527","0.0378","","","0.0958","0.1054","","","","","","1.051","","","","has coordinates,has disorder","243149","2020-10-21","18:00:00",""
"4133329","16.2363","0.0006","22.6153","0.001","29.9087","0.0012","90","","94.639","0.002","90","","10946.2","0.8","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CdIF-13 DMF-solvate","","","- C414 H422 Cd24 N122 O26 -","- C402 H394 Cd24 N118 O22 -","- C402 H394 Cd24 N118 O22 -","1","0.25","","McGuirk, C. Michael; Runčevski, Tomče; Oktawiec, Julia; Turkiewicz, Ari; Taylor, Mercedes K.; Long, Jeffrey R.","Influence of Metal Substitution on the Pressure-Induced Phase Change in Flexible Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2018","140","46","15924","15933","10.1021/jacs.8b09631","","","0.7288","synchrotron","","0.0782","0.0596","","","0.1412","0.1508","","","","","","1.115","","","","has coordinates,has disorder","243150","2020-10-21","18:00:00",""
"4133330","14.7241","0.0007","21.4248","0.001","17.2433","0.0007","90","","113.366","0.002","90","","4993.5","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CdIF-13 CH2Cl2-solvate","","","- C178 H140 Cd12 Cl20 N48 -","- C176 H136 Cd12 Cl16 N48 -","- C176 H136 Cd12 Cl16 N48 -","1","0.25","","McGuirk, C. Michael; Runčevski, Tomče; Oktawiec, Julia; Turkiewicz, Ari; Taylor, Mercedes K.; Long, Jeffrey R.","Influence of Metal Substitution on the Pressure-Induced Phase Change in Flexible Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2018","140","46","15924","15933","10.1021/jacs.8b09631","","","0.8856","synchrotron","","0.08","0.0592","","","0.1495","0.1635","","","","","","1.067","","","","has coordinates","243151","2020-10-21","18:00:00",""
"4133331","5.9715","0.0004","34.571","0.002","9.5588","0.0007","90","","100.25","0.007","90","","1941.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O -","- C27 H23 N O -","- C108 H92 N4 O4 -","4","1","","Cañellas, Santiago; Montgomery, John; Pericàs, Miquel À","Nickel-Catalyzed Reductive [2+2] Cycloaddition of Alkynes.","Journal of the American Chemical Society","2018","140","50","17349","17355","10.1021/jacs.8b09677","","","0.7107","MoKα","","0.0946","0.0478","","","0.1028","0.1133","","","","","","0.863","","","","has coordinates","243152","2020-10-21","18:00:00",""
"4133332","8.9219","0.001","5.6293","0.0007","17.187","0.002","90","","103.268","0.004","90","","840.16","0.17","100","2","100","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C40 H40 O8 -","2","1","","Cañellas, Santiago; Montgomery, John; Pericàs, Miquel À","Nickel-Catalyzed Reductive [2+2] Cycloaddition of Alkynes.","Journal of the American Chemical Society","2018","140","50","17349","17355","10.1021/jacs.8b09677","","","0.71073","MoKα","","0.054","0.0431","","","0.1028","0.1086","","","","","","1.049","","","","has coordinates","243153","2020-10-21","18:00:00",""
"4133333","15.1384","0.0007","16.8907","0.0008","7.8396","0.0004","90","","115.744","0.0012","90","","1805.6","0.15","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 O4 -","- C23 H22 O4 -","- C92 H88 O16 -","4","0.5","","Cañellas, Santiago; Montgomery, John; Pericàs, Miquel À","Nickel-Catalyzed Reductive [2+2] Cycloaddition of Alkynes.","Journal of the American Chemical Society","2018","140","50","17349","17355","10.1021/jacs.8b09677","","","0.71073","MoKα","","0.0502","0.0395","","","0.1068","0.1136","","","","","","1.059","","","","has coordinates","243154","2020-10-21","18:00:00",""
"4133334","7.75079","0.00004","17.50986","0.00009","18.79506","0.00009","90","","90","","90","","2550.78","0.02","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H43 N O3 Si -","- C26 H43 N O3 Si -","- C104 H172 N4 O12 Si4 -","4","1","","Richter, Matthieu J. R.; Schneider, Michael; Brandstätter, Marco; Krautwald, Simon; Carreira, Erick M.","Total Synthesis of (-)-Mitrephorone A.","Journal of the American Chemical Society","2018","140","48","16704","16710","10.1021/jacs.8b09685","","x-ray","1.54184","CuKα","","0.0274","0.0271","","","0.0707","0.071","","","","","","1.042","","","","has coordinates","243155","2020-10-21","18:00:00",""
"4133335","19.9187","0.0006","12.8361","0.0003","24.6531","0.0006","90","","101.661","0.003","90","","6173.2","0.3","100","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C69 H81 N9 O2 -","- C69 H81 N9 O2 -","- C276 H324 N36 O8 -","4","1","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.0581","0.0461","","","0.1061","0.1129","","","","","","1.023","","","","has coordinates,has disorder","243156","2020-10-21","18:00:00",""
"4133336","17.911","0.0004","19.5002","0.0004","21.732","0.0005","79.191","0.002","78.964","0.002","85.424","0.002","7310.2","0.3","100","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C69 H80.5 Cl1.5 Co N9 O8 -","- C69 H80.5 Cl1.5 Co N9 O8 -","- C276 H322 Cl6 Co4 N36 O32 -","4","2","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.1172","0.0806","","","0.2039","0.2321","","","","","","1.058","","","","has coordinates,has disorder","243157","2020-10-21","18:00:00",""
"4133337","17.2694","0.0003","18.7541","0.0003","23.8381","0.0004","91.061","0.001","98.694","0.001","109.472","0.002","7175.6","0.2","100","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H82.5 Cl2 Cu N3 O10.25 -","- C68 H82.5 Cl2 Cu N6 O10.25 -","- C272 H330 Cl8 Cu4 N24 O41 -","4","2","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","1.54184","CuKα","","0.1006","0.0857","","","0.2377","0.2517","","","","","","1.046","","","","has coordinates,has disorder","243158","2020-10-21","18:00:00",""
"4133338","14.16695","0.00019","15.3447","0.0002","33.0606","0.0004","80.6174","0.001","78.6057","0.001","85.0442","0.0011","6940.15","0.16","100","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C68.5 H83.75 Cl2 Co N6 O10.38 -","- C68.5 H83.75 Cl2 Co N6 O10.375 -","- C274 H335 Cl8 Co4 N24 O41.5 -","4","2","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.0582","0.0516","","","0.1309","0.1347","","","","","","1.024","","","","has coordinates,has disorder","243159","2020-10-21","18:00:00",""
"4133339","21.5821","0.0003","19.5966","0.0003","34.0945","0.0006","90","","103.984","0.002","90","","13992.4","0.4","100","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70.33 H85 Cl2 N7.66 O10.25 Zn -","- C70.33 H84.995 Cl2 N7.665 O10.25 Zn -","- C562.64 H679.96 Cl16 N61.32 O82 Zn8 -","8","2","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.0723","0.0604","","","0.1711","0.1786","","","","","","1.062","","","","has coordinates,has disorder","243160","2020-10-21","18:00:00",""
"4133340","15.3429","0.0003","29.8447","0.0005","16.0649","0.0003","90","","109.448","0.002","90","","6936.5","0.2","100","","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H79 Cu F6 N6 O2 P -","- C67 H79 Cu F6 N6 O2 P -","- C268 H316 Cu4 F24 N24 O8 P4 -","4","1","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","","0.71073","MoKα","","0.1016","0.0961","","","0.2145","0.2175","","","","","","1.13","","","","has coordinates,has disorder","243161","2020-10-21","18:00:00",""
"4133341","11.4007","0.0002","15.078","0.0003","22.0734","0.0004","107.853","0.002","93.183","0.002","108.418","0.002","3377.56","0.13","100","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C70 H83.5 Cu F6 N9 O2.25 P -","- C70 H83.5 Cu F6 N9 O2.25 P -","- C140 H167 Cu2 F12 N18 O4.5 P2 -","2","1","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.0633","0.0544","","","0.1261","0.1308","","","","","","1.091","","","","has coordinates,has disorder","243162","2020-10-21","18:00:00",""
"4133342","17.8219","0.0002","19.5882","0.0003","21.7632","0.0003","79.434","0.001","79.354","0.001","85.891","0.001","7334.52","0.18","100","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C69.25 H83 Cl2 Cu N9 O10.75 -","- C69.25 H83 Cl2 Cu N9 O10.75 -","- C277 H332 Cl8 Cu4 N36 O43 -","4","2","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.0897","0.0846","","","0.2157","0.2198","","","","","","1.056","","","","has coordinates,has disorder","243163","2020-10-21","18:00:00",""
"4133343","17.6574","0.0002","19.5677","0.0003","22.0939","0.0003","79.326","0.001","79.151","0.001","85.4","0.001","7359.47","0.18","124.27","0.1","124.27","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C70.2 H84.8 Cl1.5 N9 Ni O8.7 -","- C70.2 H84.8 Cl1.5 N9 Ni O8.7 -","- C280.8 H339.2 Cl6 N36 Ni4 O34.8 -","4","2","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.066","0.0588","","","0.1547","0.1619","","","","","","1.073","","","","has coordinates,has disorder","243164","2020-10-21","18:00:00",""
"4133344","11.882","0.002","16.596","0.003","17.724","0.004","88.443","0.005","86.436","0.006","79.605","0.006","3430.6","1.1","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C65 H80 Cl3 F6 N3 O9 S2 Zn -","- C65 H80 Cl3 F6 N5 O9 S2 Zn -","- C130 H160 Cl6 F12 N10 O18 S4 Zn2 -","2","1","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","","0.71073","MoKα","","0.0499","0.0423","","","0.1139","0.1224","","","","","","1.0455","","","","has coordinates","243165","2020-10-21","18:00:00",""
"4133345","17.6101","0.0003","19.8415","0.0005","21.9561","0.0004","78.626","0.002","79.156","0.001","84.487","0.002","7372.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H86 Cl2 N9 O10.5 Zn -","- C71 H86 Cl1.5 N9 O8.5 Zn -","- C284 H344 Cl6 N36 O34 Zn4 -","4","2","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","","1.54184","CuKα","","0.1638","0.1364","","","0.3719","0.3981","","","","","","1.449","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4133346","12.0642","0.0002","16.2582","0.0002","33.1294","0.0006","90","","90.603","0.002","90","","6497.71","0.18","100","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65.2 H83.8 Cl2 Cu N6.6 O11.4 -","- C65.2 H83.8 Cl2 Cu N6.6 O11.4 -","- C260.8 H335.2 Cl8 Cu4 N26.4 O45.6 -","4","1","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.1098","0.0728","","","0.2094","0.2619","","","","","","1.046","","","","has coordinates,has disorder","243167","2020-10-21","18:00:00",""
"4133347","19.0585","0.0002","12.4747","0.0001","25.7522","0.0002","90","","101.83","0.001","90","","5992.52","0.09","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C67 H80 N6 O2 -","- C67 H80 N6 O2 -","- C268 H320 N24 O8 -","4","1","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","1.54184","CuKα","","0.0434","0.0404","","","0.0968","0.0989","","","","","","1.024","","","","has coordinates,has disorder","243168","2020-10-21","18:00:00",""
"4133348","14.9467","0.0003","15.04","0.0003","16.2204","0.0003","104.093","0.002","95.803","0.002","101.189","0.002","3426.92","0.13","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C71 H90 Cl2 N3 Ni O11 -","- C71 H90 Cl2 N6 Ni O11 -","- C142 H180 Cl4 N12 Ni2 O22 -","2","1","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.0369","0.0339","","","0.0839","0.0865","","","","","","1.054","","","","has coordinates,has disorder","243169","2020-10-21","18:00:00",""
"4133349","22.8468","0.0011","5.9484","0.0003","18.8992","0.0009","90","","106.705","0.001","90","","2460","0.2","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 N3 O2 -","- C29 H33 N3 O2 -","- C116 H132 N12 O8 -","4","1","","Odella, Emmanuel; Mora, S. Jimena; Wadsworth, Brian L.; Huynh, Mioy T.; Goings, Joshua J.; Liddell, Paul A.; Groy, Thomas L.; Gervaldo, Miguel; Sereno, Leónides E; Gust, Devens; Moore, Thomas A.; Moore, Gary F.; Hammes-Schiffer, Sharon; Moore, Ana L.","Controlling Proton-Coupled Electron Transfer in Bioinspired Artificial Photosynthetic Relays.","Journal of the American Chemical Society","2018","140","45","15450","15460","10.1021/jacs.8b09724","","","0.71073","MoKα","","0.0579","0.0492","","","0.1225","0.1276","","","","","","1.1","","","","has coordinates","243170","2020-10-21","18:00:00",""
"4133350","9.3556","0.0006","23.2292","0.0017","16.8874","0.0013","90","","105.518","0.008","90","","3536.2","0.5","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H61 I Th -","- C35 H61 I Th -","- C140 H244 I4 Th4 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0545","0.0441","","","0.0976","0.1031","","","","","","1.051","","","","has coordinates,has disorder","243171","2020-10-21","18:00:00",""
"4133351","10.6013","0.0002","31.8019","0.0006","15.7364","0.0003","90","","94.685","0.002","90","","5287.67","0.17","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H93 P Th -","- C58 H93 P Th -","- C232 H372 P4 Th4 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0527","0.0458","","","0.1089","0.1127","","","","","","1.109","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133352","14.5566","0.0002","25.565","0.0005","15.0749","0.0002","90","","92.616","0.001","90","","5604.12","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H92 P S2 Th -","- C59 H92 P S2 Th -","- C236 H368 P4 S8 Th4 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.057","0.0489","","","0.1127","0.1175","","","","","","1.087","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133353","11.7105","0.0004","14.3546","0.0006","27.5103","0.0009","90","","93.334","0.003","90","","4616.6","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H63 N S2 Th -","- C41 H63 N S2 Th -","- C164 H252 N4 S8 Th4 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0731","0.0589","","","0.152","0.1639","","","","","","1.099","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133354","21.8176","0.0002","10.7827","0.0001","27.5783","0.0003","90","","90","","90","","6487.87","0.11","100.01","0.1","100.01","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C68 H116 S2 Th2 -","- C68 H116 S2 Th2 -","- C272 H464 S8 Th8 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.03","0.0261","","","0.0489","0.0509","","","","","","1.024","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133355","10.323","0.0007","28.5977","0.0014","18.6295","0.0011","90","","100.592","0.006","90","","5406","0.6","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H92 N P Th -","- C59 H92 N P Th -","- C236 H368 N4 P4 Th4 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.088","0.0697","","","0.1737","0.1866","","","","","","1.082","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133356","10.3818","0.0003","28.7489","0.0012","18.6498","0.0006","90","","96.834","0.003","90","","5526.8","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H98 N P Th -","- C59 H98 N P Th -","- C236 H392 N4 P4 Th4 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","0.71073","MoKα","","0.0977","0.0763","","","0.1387","0.1471","","","","","","1.273","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133357","10.5187","0.0004","11.0949","0.0004","25.1635","0.0009","78.722","0.003","85.304","0.003","76.16","0.003","2794.46","0.18","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H99 N P Th -","- C60 H99 N P Th -","- C120 H198 N2 P2 Th2 -","2","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0447","0.0388","","","0.0869","0.0905","","","","","","1.026","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133358","15.8047","0.0004","18.1652","0.0004","24.3339","0.0006","89.366","0.002","84.928","0.002","64.381","0.002","6271.8","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C132 H194 N4 P2 Th2 -","- C132 H194 N4 P2 Th2 -","- C264 H388 N8 P4 Th4 -","2","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0962","0.0876","","","0.211","0.2143","","","","","","1.174","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133359","11.1972","0.0002","20.3586","0.0004","28.01","0.0005","90","","100.882","0.002","90","","6270.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C138 H200 N4 P2 Th2 -","- C138 H200 N4 P2 Th2 -","- C276 H400 N8 P4 Th4 -","2","0.5","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0372","0.0292","","","0.0655","0.0696","","","","","","1.017","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133360","12.4141","0.0003","14.2991","0.0004","18.8879","0.0004","99.847","0.002","97.762","0.002","96.856","0.002","3238.1","0.14","99.98","0.1","99.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H97 N2 P Th -","- C66 H97 N2 P Th -","- C132 H194 N4 P2 Th2 -","2","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0719","0.0596","","","0.152","0.1604","","","","","","1.081","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133361","12.8472","0.0008","13.0939","0.0007","21.1147","0.0012","85.562","0.004","74.609","0.005","63.017","0.006","3047.9","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C65 H105 N P Si Th -","- C65 H105 N P Si Th -","- C130 H210 N2 P2 Si2 Th2 -","2","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0437","0.0399","","","0.0923","0.0942","","","","","","1.124","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133362","10.769","0.0004","15.6072","0.0004","19.4589","0.0005","77.538","0.002","83.282","0.002","75.504","0.003","3084.95","0.17","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C68 H107 N P Th -","- C68 H107 N P Th -","- C136 H214 N2 P2 Th2 -","2","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0667","0.0591","","","0.151","0.1566","","","","","","1.061","","","","has coordinates,has disorder","243171","2020-10-21","18:00:00",""
"4133363","13.3682","0.0004","14.9534","0.0005","16.5128","0.0005","105.788","0.003","90.91","0.002","94.865","0.002","3162.33","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C61 H96 N P Th -","- C61 H96 N P Th -","- C122 H192 N2 P2 Th2 -","2","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.027","0.0252","","","0.0546","0.0559","","","","","","1.019","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133364","14.5978","0.0008","18.9744","0.001","19.2277","0.001","101.751","0.004","90.019","0.004","99.921","0.005","5132.7","0.5","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H87 N4 P Th -","- C52 H87 N4 P Th -","- C208 H348 N16 P4 Th4 -","4","2","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.102","0.0842","","","0.2139","0.2295","","","","","","1.022","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133365","10.625","0.008","12.002","0.01","20.851","0.017","100.631","0.015","90.727","0.014","115.77","0.013","2340","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H74 N2 Th -","- C50 H74 N2 Th -","- C100 H148 N4 Th2 -","2","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","","0.71073","MoKα","","0.0749","0.047","","","0.1023","0.1183","","","","","","1.06","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133366","31.5083","0.0012","31.9261","0.0012","41.4205","0.0016","111.747","0.002","91.181","0.002","100.746","0.002","37838","3","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C84 H1092 Ce8 Mo256 N42 Na6 O1270 -","- C75 Ce8 Mo256 N36 O1152.25 -","- C75 Ce8 Mo256 N36 O1152.25 -","1","1","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.1093","0.0723","","","0.1787","0.2157","","","","","","1.084","","","","has coordinates,has disorder","243172","2020-10-21","18:00:00",""
"4133367","36.286","0.007","43.194","0.009","31.497","0.006","90","","108.25","0.03","90","","46883","18","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C110 H608 Mo154 N20 Na8 O716 -","- C45.2 H45.2 Mo154 N8 Na1.2 O624.2 -","- C90.4 H90.4 Mo308 N16 Na2.4 O1248.4 -","2","0.25","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.1297","0.0804","","","0.1992","0.2485","","","","","","1.107","","","","has coordinates,has disorder","243173","2020-10-21","18:00:00",""
"4133368","35.3331","0.0015","47.455","0.002","20.2692","0.0009","90","","90","","90","","33986","3","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C48 H546 Ce4 Mo132 N24 O643 -","- C48 H74 Ce4 Mo132 N24 O610.2 -","- C96 H148 Ce8 Mo264 N48 O1220.4 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.0436","0.0404","","","0.1063","0.1108","","","","","","1.089","","","","has coordinates,has disorder","243174","2020-10-21","18:00:00",""
"4133369","34.9681","0.0011","45.6548","0.0015","20.6531","0.0007","90","","90","","90","","32971.9","1.9","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C86 H534 Ce4 Mo124 N16 Na2 O604 -","- C86 H94 Ce4 Mo124 N16 Na2 O556.3 -","- C172 H188 Ce8 Mo248 N32 Na4 O1112.6 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.046","0.0408","","","0.1042","0.1115","","","","","","1.106","","","","has coordinates,has disorder","243175","2020-10-21","18:00:00",""
"4133370","36.1521","0.0013","43.2693","0.0015","31.4909","0.0011","90","","107.595","0.001","90","","46956","3","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C48 H604 Mo154 N24 Na4 O732 -","- C48 Mo154 N22 O663.6 -","- C96 Mo308 N44 O1327.2 -","2","0.25","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.1228","0.1058","","","0.237","0.2502","","","","","","1.248","","","","has coordinates,has disorder","243176","2020-10-21","18:00:00",""
"4133371","34.961","0.003","45.659","0.004","20.6838","0.0014","90","","90","","90","","33017","5","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C86 H534 Ce4 Mo124 N16 Na2 O604 -","- C85.2 H100 Ce4 Mo124.04 N16 Na1.3 O541.9 -","- C170.4 H200 Ce8 Mo248.08 N32 Na2.6 O1083.8 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.0608","0.0476","","","0.1212","0.1345","","","","","","1.083","","","","has coordinates,has disorder","243177","2020-10-21","18:00:00",""
"4133372","35.356","0.003","47.448","0.004","20.2608","0.0015","90","","90","","90","","33989","5","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C48 H546 Ce4 Mo132 N24 O643 -","- C48 H74 Ce4 Mo132 N24 O616.6 -","- C96 H148 Ce8 Mo264 N48 O1233.2 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.0431","0.0388","","","0.1011","0.1055","","","","","","1.07","","","","has coordinates,has disorder","243178","2020-10-21","18:00:00",""
"4133373","35.219","0.006","44.928","0.008","20.818","0.004","90","","90","","90","","32941","10","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C36 H552 Ce4 Mo124 N24 O612 -","- C34.8 H90 Ce4 Mo124 N24 O554.5 -","- C69.6 H180 Ce8 Mo248 N48 O1109 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.0611","0.0472","","","0.117","0.1289","","","","","","1.074","","","","has coordinates,has disorder","243179","2020-10-21","18:00:00",""
"4133374","35.056","0.003","45.188","0.004","20.8435","0.0018","90","","90","","90","","33018","5","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C36 H552 Ce4 Mo124 N24 O612 -","- C36 H88 Ce4 Mo124 N23 O571.16 -","- C72 H176 Ce8 Mo248 N46 O1142.32 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.0483","0.0398","","","0.0983","0.105","","","","","","1.068","","","","has coordinates,has disorder","243180","2020-10-21","18:00:00",""
"4133375","39.73","0.008","20.462","0.004","40.363","0.008","90","","90.8","0.03","90","","32810","11","100","2","100","2","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C36 H508 Ce4 Mo132 N18 O629 -","- C36 H54 Ce4.5 Mo132 N18 O559.4 -","- C72 H108 Ce9 Mo264 N36 O1118.8 -","2","1","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.6889","Synchrotron","","0.0723","0.067","","","0.2026","0.2086","","","","","","1.025","","","","has coordinates,has disorder","243181","2020-10-21","18:00:00",""
"4133376","27.7428","0.0006","12.2385","0.0002","25.2788","0.0005","90","","102.219","0.002","90","","8388.5","0.3","173.05","0.1","173.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90.5 H110 Al2 N4 O8 W -","- C90.5 H110 Al2 N4 O8 W -","- C362 H440 Al8 N16 O32 W4 -","4","1","","Kong, Richard Y.; Crimmin, Mark R.","Carbon Chain Growth by Sequential Reactions of CO and CO<sub>2</sub> with [W(CO)<sub>6</sub>] and an Aluminum(I) Reductant.","Journal of the American Chemical Society","2018","140","42","13614","13617","10.1021/jacs.8b09761","","x-ray","0.71073","MoKα","","0.0597","0.0376","","","0.0715","0.0791","","","","","","1.027","","","","has coordinates,has disorder","243182","2020-10-21","18:00:00",""
"4133377","15.3318","0.0003","21.4894","0.0003","21.5498","0.0003","90","","92.4806","0.0014","90","","7093.4","0.2","173","0.14","173","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H90 Al2 N4 O9 W -","- C74 H90 Al2 N4 O9 W -","- C296 H360 Al8 N16 O36 W4 -","4","1","","Kong, Richard Y.; Crimmin, Mark R.","Carbon Chain Growth by Sequential Reactions of CO and CO<sub>2</sub> with [W(CO)<sub>6</sub>] and an Aluminum(I) Reductant.","Journal of the American Chemical Society","2018","140","42","13614","13617","10.1021/jacs.8b09761","","x-ray","1.54184","CuKα","","0.061","0.0422","","","0.1017","0.1149","","","","","","1","","","","has coordinates,has disorder","243182","2020-10-21","18:00:00",""
"4133378","17.8441","0.0009","19.0576","0.0005","22.2871","0.0008","90","","92.815","0.004","90","","7569.9","0.5","173","0.1","173","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H94 Al2 N4 O10 W -","- C78.994 H93.994 Al2 N4 O10 W -","- C315.976 H375.976 Al8 N16 O40 W4 -","4","1","","Kong, Richard Y.; Crimmin, Mark R.","Carbon Chain Growth by Sequential Reactions of CO and CO<sub>2</sub> with [W(CO)<sub>6</sub>] and an Aluminum(I) Reductant.","Journal of the American Chemical Society","2018","140","42","13614","13617","10.1021/jacs.8b09761","","x-ray","1.54184","CuKα","","0.0679","0.0525","","","0.1364","0.1463","","","","","","1.03","","","","has coordinates,has disorder","243182","2020-10-21","18:00:00",""
"4133379","36.7014","0.0009","15.0966","0.0004","28.7796","0.0009","90","","111.273","0.003","90","","14859.3","0.8","173","0.14","173","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77.5 H94 Al2 N4 O10 W -","- C77.5 H94 Al2 N4 O10 W -","- C620 H752 Al16 N32 O80 W8 -","8","2","","Kong, Richard Y.; Crimmin, Mark R.","Carbon Chain Growth by Sequential Reactions of CO and CO<sub>2</sub> with [W(CO)<sub>6</sub>] and an Aluminum(I) Reductant.","Journal of the American Chemical Society","2018","140","42","13614","13617","10.1021/jacs.8b09761","","x-ray","1.54184","CuKα","","0.1049","0.071","","","0.1773","0.1965","","","","","","1.047","","","","has coordinates,has disorder","243182","2020-10-21","18:00:00",""
"4133380","24.246","0.006","15.3192","0.0014","24.56","0.006","90","","119.55","0.03","90","","7936","4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","MOS-1","","","- Br3 Mo3 S10 -","- Br3 Mo3 S10 -","- Br24 Mo24 S80 -","8","2","","Ji, Zhe; Trickett, Christopher; Pei, Xiaokun; Yaghi, Omar M.","Linking Molybdenum-Sulfur Clusters for Electrocatalytic Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","42","13618","13622","10.1021/jacs.8b09807","","","0.91165","synchrotron","","0.2033","0.1687","","","0.4416","0.4714","","","","","","1.268","","","","has coordinates,has disorder","243183","2020-10-21","18:00:00",""
"4133381","24.8186","0.0016","21.5751","0.0016","33.513","0.002","90","","106.853","0.002","90","","17174","2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H34 Mo6 N6 O18 S8 -","- C54 H36 Mo6 N6 O18 S8 -","- C432 H288 Mo48 N48 O144 S64 -","8","1","","Ji, Zhe; Trickett, Christopher; Pei, Xiaokun; Yaghi, Omar M.","Linking Molybdenum-Sulfur Clusters for Electrocatalytic Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","42","13618","13622","10.1021/jacs.8b09807","","","0.71073","MoKα","","0.0749","0.0487","","","0.1166","0.1261","","","","","","1.046","","","","has coordinates","243184","2020-10-21","18:00:00",""
"4133382","12.4938","0.0005","42.4264","0.0017","22.2065","0.001","90","","90","","90","","11770.9","0.9","100","","100","","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C60 H126 Br10 Mo6 N6 S18 -","- C60 H126 Br10 Mo6 N6 S18 -","- C240 H504 Br40 Mo24 N24 S72 -","4","0.25","","Ji, Zhe; Trickett, Christopher; Pei, Xiaokun; Yaghi, Omar M.","Linking Molybdenum-Sulfur Clusters for Electrocatalytic Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","42","13618","13622","10.1021/jacs.8b09807","","","1.54178","CuKα","","0.1392","0.1048","","","0.2558","0.2766","","","","","","1.07","","","","has coordinates","243185","2020-10-21","18:00:00",""
"4133383","30.418","0.018","12.37","0.008","21.063","0.013","90","","90","","90","","7925","8","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H5.5 Br6 Mo6 S20 -","- C9 H5 Br6 Mo6 S20 -","- C36 H20 Br24 Mo24 S80 -","4","1","","Ji, Zhe; Trickett, Christopher; Pei, Xiaokun; Yaghi, Omar M.","Linking Molybdenum-Sulfur Clusters for Electrocatalytic Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","42","13618","13622","10.1021/jacs.8b09807","","","0.7749","synchrotron","","0.1253","0.0517","","","0.0894","0.1099","","","","","","0.823","","","","has coordinates","243186","2020-10-21","18:00:00",""
"4133384","32.877","0.005","32.877","0.005","32.877","0.005","90","","90","","90","","35537","9","100","","100","","","","","","","","","7","I m -3 m","-I 4 2 3","229","","","","- C144 H144 Mo24 N24 O150 S32 Zn6 -","- C144 H144 Mo24 N24 O150 S32 Zn6 -","- C288 H288 Mo48 N48 O300 S64 Zn12 -","2","0.0208333","","Ji, Zhe; Trickett, Christopher; Pei, Xiaokun; Yaghi, Omar M.","Linking Molybdenum-Sulfur Clusters for Electrocatalytic Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","42","13618","13622","10.1021/jacs.8b09807","","","0.7749","synchrotron","","0.1557","0.1228","","","0.3652","0.431","","","","","","1.928","","","","has coordinates","243187","2020-10-21","18:00:00",""
"4133385","27.657","0.0007","7.6139","0.0003","35.2089","0.0013","90","","100.653","0.003","90","","7286.4","0.4","93","2","93","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","helically twisted kekulene 1","dinaphtho[1'',2'':6,7;1''',2''':6',7']diphenanthro[3,2-a:2',3'-j]anthracene","","- C57.26 H37.26 O0.26 -","- C57.263 H37.263 O0.263 -","- C458.104 H298.104 O2.104 -","8","1","","Nakakuki, Yusuke; Hirose, Takashi; Matsuda, Kenji","Synthesis of a Helical Analogue of Kekulene: A Flexible π-Expanded Helicene with Large Helical Diameter Acting as a Soft Molecular Spring.","Journal of the American Chemical Society","2018","140","45","15461","15469","10.1021/jacs.8b09825","","","0.71073","MoKα","","0.1024","0.0644","","","0.1702","0.1938","","","","","","1.042","","","","has coordinates,has disorder","243188","2020-10-21","18:00:00",""
"4133386","5.5819","0.0002","9.2612","0.0003","12.4359","0.0005","79.19","0.001","86.826","0.001","86.365","0.001","629.58","0.04","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C30 H26 N6 -","2","1","","Ren, Yansong; Xie, Sheng; Svensson Grape, Erik; Inge, A. Ken; Ramström, Olof","Multistimuli-Responsive Enaminitrile Molecular Switches Displaying H<sup>+</sup>-Induced Aggregate Emission, Metal Ion-Induced Turn-On Fluorescence, and Organogelation Properties.","Journal of the American Chemical Society","2018","140","42","13640","13643","10.1021/jacs.8b09843","","","0.71073","MoKα","","0.1112","0.0605","","","0.1308","0.1533","","","","","","1.019","","","","has coordinates","243189","2020-10-21","18:00:00",""
"4133387","7.9989","0.0003","8.2629","0.0003","11.7753","0.0004","75.035","0.002","78.866","0.002","84.766","0.002","737.03","0.05","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H17 N3 -","- C18 H17 N3 -","- C36 H34 N6 -","2","1","","Ren, Yansong; Xie, Sheng; Svensson Grape, Erik; Inge, A. Ken; Ramström, Olof","Multistimuli-Responsive Enaminitrile Molecular Switches Displaying H<sup>+</sup>-Induced Aggregate Emission, Metal Ion-Induced Turn-On Fluorescence, and Organogelation Properties.","Journal of the American Chemical Society","2018","140","42","13640","13643","10.1021/jacs.8b09843","","","0.71073","MoKα","","0.0949","0.0525","","","0.1188","0.1371","","","","","","1.035","","","","has coordinates","243190","2020-10-21","18:00:00",""
"4133388","23.609","0.0009","10.8697","0.0004","15.2722","0.0006","90","","106.999","0.002","90","","3748","0.3","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 N3 O3 S -","- C19 H21 N3 O3 S -","- C152 H168 N24 O24 S8 -","8","1","","Ren, Yansong; Xie, Sheng; Svensson Grape, Erik; Inge, A. Ken; Ramström, Olof","Multistimuli-Responsive Enaminitrile Molecular Switches Displaying H<sup>+</sup>-Induced Aggregate Emission, Metal Ion-Induced Turn-On Fluorescence, and Organogelation Properties.","Journal of the American Chemical Society","2018","140","42","13640","13643","10.1021/jacs.8b09843","","","1.54178","CuKα","","0.1161","0.0863","","","0.2173","0.2456","","","","","","1.045","","","","has coordinates","243191","2020-10-21","18:00:00",""
"4133389","5.451","0.004","39.24","0.03","7.731","0.006","90","","95.806","0.008","90","","1645","2","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 N3 O3 S -","- C16 H17 N3 O3 S -","- C64 H68 N12 O12 S4 -","4","2","","Ren, Yansong; Xie, Sheng; Svensson Grape, Erik; Inge, A. Ken; Ramström, Olof","Multistimuli-Responsive Enaminitrile Molecular Switches Displaying H<sup>+</sup>-Induced Aggregate Emission, Metal Ion-Induced Turn-On Fluorescence, and Organogelation Properties.","Journal of the American Chemical Society","2018","140","42","13640","13643","10.1021/jacs.8b09843","","","0.71073","MoKα","","0.2465","0.1365","","","0.2978","0.3255","","","","","","1.504","","","","has coordinates","243192","2020-10-21","18:00:00",""
"4133390","16.555","0.0013","11.7095","0.0002","17.7899","0.0014","90","","90","","90","","3448.6","0.4","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H29 Li N2 Ni -","- C16 H29 Li N2 Ni -","- C128 H232 Li8 N16 Ni8 -","8","1","","Nattmann, Lukas; Lutz, Sigrid; Ortsack, Pascal; Goddard, Richard; Cornella, Josep","A Highly Reduced Ni-Li-Olefin Complex for Catalytic Kumada-Corriu Cross-Couplings.","Journal of the American Chemical Society","2018","140","42","13628","13633","10.1021/jacs.8b09849","","","","","","","","","","","","","","","","","","","","","has coordinates","276364","2022-06-28","17:43:35",""
"4133391","10.5241","0.0013","18.135","0.002","17.197","0.002","90","","107.478","0.002","90","","3130.6","0.6","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Li2 Ni O4 -","- C32 H56 Li2 Ni O4 -","- C128 H224 Li8 Ni4 O16 -","4","1","","Nattmann, Lukas; Lutz, Sigrid; Ortsack, Pascal; Goddard, Richard; Cornella, Josep","A Highly Reduced Ni-Li-Olefin Complex for Catalytic Kumada-Corriu Cross-Couplings.","Journal of the American Chemical Society","2018","140","42","13628","13633","10.1021/jacs.8b09849","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","276364","2022-06-28","17:43:35",""
"4133392","9.5716","0.0004","9.5716","0.0004","64.226","0.003","90","","90","","90","","5884.1","0.4","200","1","200","1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H31 Ge N O2 -","- C36 H31 Ge N O2 -","- C288 H248 Ge8 N8 O16 -","8","1","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","1.54178","CuKα","","0.0318","0.0307","","","0.0773","0.078","","","","","","1.065","","","","has coordinates","243195","2020-10-21","18:00:00",""
"4133393","10.4058","0.0003","20.8929","0.0007","13.6211","0.0005","90","","111.976","0.002","90","","2746.16","0.16","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 Ge N O2 -","- C34 H29 Ge N O2 -","- C136 H116 Ge4 N4 O8 -","4","1","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","0.71073","MoKα","","0.0334","0.0255","","","0.0635","0.0674","","","","","","1.021","","","","has coordinates","243195","2020-10-21","18:00:00",""
"4133394","11.7444","0.0005","15.9338","0.0008","32.3292","0.0016","90","","92.83","0.003","90","","6042.5","0.5","200","1","200","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 Ge N O3 Si -","- C30 H37 Ge N O3 Si -","- C240 H296 Ge8 N8 O24 Si8 -","8","2","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","1.54178","CuKα","","0.0558","0.0455","","","0.1239","0.1319","","","","","","1.031","","","","has coordinates,has disorder","243195","2020-10-21","18:00:00",""
"4133395","11.4162","0.0003","16.8675","0.0005","24.7995","0.0007","90","","96.907","0.002","90","","4740.8","0.2","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 F3 Ge N O2 -","- C26 H24 F3 Ge N O2 -","- C208 H192 F24 Ge8 N8 O16 -","8","2","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","0.71073","MoKα","","0.0561","0.0333","","","0.0716","0.0787","","","","","","1.006","","","","has coordinates","243195","2020-10-21","18:00:00",""
"4133396","11.0689","0.0002","17.7248","0.0003","16.4657","0.0003","90","","90.862","0.001","90","","3230.11","0.1","200","2","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H33 Ge N O2 -","- C39 H33 Ge N O2 -","- C156 H132 Ge4 N4 O8 -","4","1","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","0.71073","MoKα","","0.0555","0.0385","","","0.0936","0.1016","","","","","","1.075","","","","has coordinates","243195","2020-10-21","18:00:00",""
"4133397","21.4118","0.0005","12.0493","0.0002","39.1926","0.0008","90","","90","","90","","10111.6","0.4","200","1","200","1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C52 H52 Cl4 Ge2 N2 O4 Zn -","- C52 H52 Cl4 Ge2 N2 O4 Zn -","- C416 H416 Cl32 Ge16 N16 O32 Zn8 -","8","2","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","0.71073","MoKα","","0.0726","0.0486","","","0.1156","0.126","","","","","","1.023","","","","has coordinates","243195","2020-10-21","18:00:00",""
"4133398","13.4291","0.0006","17.2102","0.0008","23.7226","0.0012","90","","90","","90","","5482.7","0.4","200","1","200","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54 H56 Cl4 Ge2 N2 O4 Zn -","- C54 H56 Cl4 Ge2 N2 O4 Zn -","- C216 H224 Cl16 Ge8 N8 O16 Zn4 -","4","1","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","1.54178","CuKα","","0.0776","0.0628","","","0.1609","0.1732","","","","","","1.04","","","","has coordinates,has disorder","243195","2020-10-21","18:00:00",""
"4133399","16.3298","0.0009","12.8553","0.0007","28.1785","0.0016","90","","97.582","0.002","90","","5863.6","0.6","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H35 Ge O3 P -","- C32 H35 Ge O3 P -","- C256 H280 Ge8 O24 P8 -","8","1","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","0.71073","MoKα","","0.0338","0.0273","","","0.0653","0.0683","","","","","","1.05","","","","has coordinates","243195","2020-10-21","18:00:00",""
"4133400","6.6811","0.0015","8.3367","0.0018","13.932","0.003","92.589","0.007","97.506","0.007","93.047","0.007","767.2","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","Mn(4-mercaptomethyl-2,2'-bipyridine)(CO)3Br","","- C14 H10 Br Mn N2 O3 S -","- C14 H10 Br Mn N2 O3 S -","- C28 H20 Br2 Mn2 N4 O6 S2 -","2","1","","Clark, Melissa L.; Ge, Aimin; Videla, Pablo E.; Rudshteyn, Benjamin; Miller, Christopher J.; Song, Jia; Batista, Victor S.; Lian, Tianquan; Kubiak, Clifford P.","CO<sub>2</sub> Reduction Catalysts on Gold Electrode Surfaces Influenced by Large Electric Fields.","Journal of the American Chemical Society","2018","140","50","17643","17655","10.1021/jacs.8b09852","","x-ray","0.71073","MoKα","","0.1085","0.0619","","","0.1211","0.137","","","","","","1.0647","","","","has coordinates","243197","2020-10-21","18:00:00",""
"4133401","10.5295","0.0006","12.7123","0.0008","11.9526","0.0008","90","","98.859","0.002","90","","1580.82","0.17","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Re(4-methylthio-2,2'-bipyridine)(CO)3Cl","","- C14 H10 Cl N2 O3 Re S -","- C14 H10 Cl N2 O3 Re S -","- C56 H40 Cl4 N8 O12 Re4 S4 -","4","1","","Clark, Melissa L.; Ge, Aimin; Videla, Pablo E.; Rudshteyn, Benjamin; Miller, Christopher J.; Song, Jia; Batista, Victor S.; Lian, Tianquan; Kubiak, Clifford P.","CO<sub>2</sub> Reduction Catalysts on Gold Electrode Surfaces Influenced by Large Electric Fields.","Journal of the American Chemical Society","2018","140","50","17643","17655","10.1021/jacs.8b09852","","","0.71073","MoKα","","0.0491","0.0447","","","0.1066","0.1099","","","","","","1.0015","","","","has coordinates","243198","2020-10-21","18:00:00",""
"4133402","7.0306","0.0005","10.251","0.0007","12.9104","0.001","90","","101.624","0.004","90","","911.38","0.12","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N2 S -","- C10 H8 N2 S -","- C40 H32 N8 S4 -","4","1","","Clark, Melissa L.; Ge, Aimin; Videla, Pablo E.; Rudshteyn, Benjamin; Miller, Christopher J.; Song, Jia; Batista, Victor S.; Lian, Tianquan; Kubiak, Clifford P.","CO<sub>2</sub> Reduction Catalysts on Gold Electrode Surfaces Influenced by Large Electric Fields.","Journal of the American Chemical Society","2018","140","50","17643","17655","10.1021/jacs.8b09852","","","0.71073","MoKα","","0.0526","0.0377","","","0.0827","0.0893","","","","","","1.0365","","","","has coordinates","243199","2020-10-21","18:00:00",""
"4133403","11.4372","0.0006","11.5112","0.0007","20.7806","0.0017","95.647","0.006","103.837","0.006","90.081","0.005","2642.7","0.3","100","0.3","100","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C36 H84 Si8 Sn -","- C36 H84 Si8 Sn -","- C72 H168 Si16 Sn2 -","2","1","","Koby, Ross F.; Hanusa, Timothy P.; Schley, Nathan D.","Mechanochemically Driven Transformations in Organotin Chemistry: Stereochemical Rearrangement, Redox Behavior, and Dispersion-Stabilized Complexes.","Journal of the American Chemical Society","2018","140","46","15934","15942","10.1021/jacs.8b09862","","x-ray","1.54184","CuKα","","0.0583","0.0554","","","0.1401","0.142","","","","","","1.053","","","","has coordinates,has disorder","243200","2020-10-21","18:00:00",""
"4133404","11.3719","0.0002","19.8321","0.0004","12.1517","0.0002","90","","107.788","0.002","90","","2609.54","0.09","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H84 Si8 Sn -","- C36 H84 Si8 Sn -","- C72 H168 Si16 Sn2 -","2","1","","Koby, Ross F.; Hanusa, Timothy P.; Schley, Nathan D.","Mechanochemically Driven Transformations in Organotin Chemistry: Stereochemical Rearrangement, Redox Behavior, and Dispersion-Stabilized Complexes.","Journal of the American Chemical Society","2018","140","46","15934","15942","10.1021/jacs.8b09862","","x-ray","1.54184","CuKα","","0.0359","0.0342","","","0.0871","0.0879","","","","","","1.036","","","","has coordinates","243201","2020-10-21","18:00:00",""
"4133405","12.5863","0.0003","16.2257","0.0004","20.9657","0.0006","90","","100.864","0.003","90","","4204.91","0.19","99.9","0.4","99.9","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H63 K Si6 Sn -","- C27 H63 K Si6 Sn -","- C108 H252 K4 Si24 Sn4 -","4","1","","Koby, Ross F.; Hanusa, Timothy P.; Schley, Nathan D.","Mechanochemically Driven Transformations in Organotin Chemistry: Stereochemical Rearrangement, Redox Behavior, and Dispersion-Stabilized Complexes.","Journal of the American Chemical Society","2018","140","46","15934","15942","10.1021/jacs.8b09862","","x-ray","1.54184","CuKα","","0.0678","0.0577","","","0.1308","0.1381","","","","","","1.045","","","","has coordinates,has disorder","243202","2020-10-21","18:00:00",""
"4133406","9.3269","0.0004","18.8579","0.001","9.8275","0.0004","90","","101.531","0.005","90","","1693.63","0.14","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H23 I O3 S -","- C34 H23 I O3 S -","- C68 H46 I2 O6 S2 -","2","1","","Tan, Yu; Jia, Shiqi; Hu, Fangli; Liu, Yidong; Peng, Lei; Li, Dongmei; Yan, Hailong","Enantioselective Construction of Vicinal Diaxial Styrenes and Multiaxis System via Organocatalysis.","Journal of the American Chemical Society","2018","140","49","16893","16898","10.1021/jacs.8b09893","","","0.71073","MoKα","","0.0508","0.0371","","","0.0692","0.0752","","","","","","0.978","","","","has coordinates","243203","2020-10-21","18:00:00",""
"4133407","7.6112","0.0002","9.4733","0.0002","32.0728","0.0009","90","","90","","90","","2312.55","0.1","292","2","292","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 Br2 I O3 S -","- C24 H15 Br2 I O3 S -","- C96 H60 Br8 I4 O12 S4 -","4","1","","Tan, Yu; Jia, Shiqi; Hu, Fangli; Liu, Yidong; Peng, Lei; Li, Dongmei; Yan, Hailong","Enantioselective Construction of Vicinal Diaxial Styrenes and Multiaxis System via Organocatalysis.","Journal of the American Chemical Society","2018","140","49","16893","16898","10.1021/jacs.8b09893","","","0.71073","MoKα","","0.0443","0.0338","","","0.0583","0.0621","","","","","","1.04","","","","has coordinates","243204","2020-10-21","18:00:00",""
"4133408","9.5781","0.0003","12.2304","0.0004","23.1878","0.0008","90","","90","","90","","2716.31","0.15","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 Br2 I O3 S -","- C24 H15 Br2 I O3 S -","- C96 H60 Br8 I4 O12 S4 -","4","1","","Tan, Yu; Jia, Shiqi; Hu, Fangli; Liu, Yidong; Peng, Lei; Li, Dongmei; Yan, Hailong","Enantioselective Construction of Vicinal Diaxial Styrenes and Multiaxis System via Organocatalysis.","Journal of the American Chemical Society","2018","140","49","16893","16898","10.1021/jacs.8b09893","","","0.71073","MoKα","","0.0688","0.0462","","","0.0915","0.1002","","","","","","0.996","","","","has coordinates","243205","2020-10-21","18:00:00",""
"4133409","9.1728","0.0004","20.333","0.0007","9.8676","0.0003","90","","100.761","0.004","90","","1808.05","0.12","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H32 Cl I O5 S -","- C39 H32 Cl I O5 S -","- C78 H64 Cl2 I2 O10 S2 -","2","1","","Tan, Yu; Jia, Shiqi; Hu, Fangli; Liu, Yidong; Peng, Lei; Li, Dongmei; Yan, Hailong","Enantioselective Construction of Vicinal Diaxial Styrenes and Multiaxis System via Organocatalysis.","Journal of the American Chemical Society","2018","140","49","16893","16898","10.1021/jacs.8b09893","","","0.71073","MoKα","","0.0473","0.0373","","","0.0739","0.0794","","","","","","1.056","","","","has coordinates","243206","2020-10-21","18:00:00",""
"4133410","25.7743","0.0009","16.3541","0.0005","28.9052","0.001","90","","92.161","0.004","90","","12175.3","0.7","250.2","0.3","250.2","0.3","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C352 H180 Co12 P12 Te16 -","- C349.76 H180 Co12 P12 Te15 -","- C699.52 H360 Co24 P24 Te30 -","2","0.25","","O'Brien, Evan S; Russell, Jake C.; Bartnof, Matthew; Christodoulides, Alexander D.; Lee, Kihong; DeGayner, Jordan A.; Paley, Daniel W.; McGaughey, Alan J. H.; Ong, Wee-Liat; Malen, Jonathan A.; Zhu, X.-Y.; Roy, Xavier","Spontaneous Electronic Band Formation and Switchable Behaviors in a Phase-Rich Superatomic Crystal.","Journal of the American Chemical Society","2018","140","46","15601","15605","10.1021/jacs.8b09905","","x-ray","0.71073","MoKα","","0.0864","0.0496","","","0.126","0.1529","","","","","","1.069","","","","has coordinates,has disorder","243207","2020-10-21","18:00:00",""
"4133411","25.3864","0.0006","16.3196","0.0003","28.8221","0.0006","90","","92.581","0.002","90","","11928.8","0.4","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C352 H180 Co12 P12 Te16 -","- C352.14 H180 Co12 P12 Te16 -","- C704.28 H360 Co24 P24 Te32 -","2","0.5","","O'Brien, Evan S; Russell, Jake C.; Bartnof, Matthew; Christodoulides, Alexander D.; Lee, Kihong; DeGayner, Jordan A.; Paley, Daniel W.; McGaughey, Alan J. H.; Ong, Wee-Liat; Malen, Jonathan A.; Zhu, X.-Y.; Roy, Xavier","Spontaneous Electronic Band Formation and Switchable Behaviors in a Phase-Rich Superatomic Crystal.","Journal of the American Chemical Society","2018","140","46","15601","15605","10.1021/jacs.8b09905","","x-ray","0.71073","MoKα","","0.069","0.0454","","","0.0782","0.0869","","","","","","1.067","","","","has coordinates,has disorder","243208","2020-10-21","18:00:00",""
"4133412","16.603","0.0008","16.603","0.0008","12.9455","0.0009","90","","90","","120","","3090.5","0.3","340.3","0.4","340.3","0.4","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C176 H90 Co6 P6 Te8 -","- C176.028 H90 Co6 P6 Te8 -","- C176.028 H90 Co6 P6 Te8 -","1","0.0833333","","O'Brien, Evan S; Russell, Jake C.; Bartnof, Matthew; Christodoulides, Alexander D.; Lee, Kihong; DeGayner, Jordan A.; Paley, Daniel W.; McGaughey, Alan J. H.; Ong, Wee-Liat; Malen, Jonathan A.; Zhu, X.-Y.; Roy, Xavier","Spontaneous Electronic Band Formation and Switchable Behaviors in a Phase-Rich Superatomic Crystal.","Journal of the American Chemical Society","2018","140","46","15601","15605","10.1021/jacs.8b09905","","x-ray","0.71073","MoKα","","0.0728","0.0608","","","0.1801","0.1922","","","","","","1.071","","","","has coordinates,has disorder","243209","2020-10-21","18:00:00",""
"4133413","10.1118","0.0003","11.8308","0.0004","12.5795","0.0004","83.377","0.001","70.474","0.001","72.023","0.001","1348.98","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H31 B O3 -","- C35 H31 B O3 -","- C70 H62 B2 O6 -","2","2","","Myhill, Jesse A.; Wilhelmsen, Christopher A.; Zhang, Liang; Morken, James P.","Diastereoselective and Enantioselective Conjunctive Cross-Coupling Enabled by Boron Ligand Design.","Journal of the American Chemical Society","2018","140","45","15181","15185","10.1021/jacs.8b09909","","","1.54178","CuKα","","0.045","0.0449","","","0.1164","0.1165","","","","","","1.022","","","","has coordinates","243210","2020-10-21","18:00:00",""
"4133414","12.0274","0.0002","14.89","0.0003","20.8508","0.0004","90","","94.768","0.007","90","","3721.21","0.13","123","2","123","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 F12 N4 O P3 Ru -","- C37 H27 F12 N4 O P3 Ru -","- C148 H108 F48 N16 O4 P12 Ru4 -","4","1","","Lee, Sze Koon; Kondo, Mio; Okamura, Masaya; Enomoto, Takafumi; Nakamura, Go; Masaoka, Shigeyuki","Function-Integrated Ru Catalyst for Photochemical CO<sub>2</sub> Reduction.","Journal of the American Chemical Society","2018","140","49","16899","16903","10.1021/jacs.8b09933","","x-ray","0.71073","MoKα","","0.0372","0.0276","","","0.0618","0.0648","","","","","","1.034","","","","has coordinates","243211","2020-10-21","18:00:00",""
"4133415","20.962","0.004","12.826","0.003","18.178","0.004","90","","110.79","0.03","90","","4569.1","1.9","173","2","173.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H19 Cl -","- C30.5 H19 Cl -","- C244 H152 Cl8 -","8","1","","Zhou, Weixiang; Shen, Han; Wu, Chenyu; Tu, Zeyi; He, Feng; Gu, Yanan; Xue, Yurui; Zhao, Yingjie; Yi, Yuanping; Li, Yongjun; Li, Yuliang","Direct Synthesis of Crystalline Graphdiyne Analogue Based on Supramolecular Interactions.","Journal of the American Chemical Society","2019","141","1","48","52","10.1021/jacs.8b09945","","","0.71073","MoKα","","0.0736","0.0672","","","0.1465","0.1496","","","","","","1.164","","","","has coordinates","243212","2020-10-21","18:00:00",""
"4133416","15.289","0.006","13.561","0.005","9.488","0.004","90","","95.023","0.004","90","","1959.6","1.3","173","2","173.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 -","- C28 H18 -","- C112 H72 -","4","1","","Zhou, Weixiang; Shen, Han; Wu, Chenyu; Tu, Zeyi; He, Feng; Gu, Yanan; Xue, Yurui; Zhao, Yingjie; Yi, Yuanping; Li, Yongjun; Li, Yuliang","Direct Synthesis of Crystalline Graphdiyne Analogue Based on Supramolecular Interactions.","Journal of the American Chemical Society","2019","141","1","48","52","10.1021/jacs.8b09945","","","0.71073","MoKα","","0.0865","0.074","","","0.1427","0.1495","","","","","","1.198","","","","has coordinates","243213","2020-10-21","18:00:00",""
"4133417","14.2765","0.001","14.3034","0.0008","23.7048","0.0018","72.614","0.002","87.529","0.002","67.645","0.002","4258.6","0.5","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H71 Cl2 Mn4 N6 O13 P3 -","- C94 H71 Cl2 Mn4 N6 O13 P3 -","- C188 H142 Cl4 Mn8 N12 O26 P6 -","2","1","","Lee, Heui Beom; Shiau, Angela A.; Oyala, Paul H.; Marchiori, David A.; Gul, Sheraz; Chatterjee, Ruchira; Yano, Junko; Britt, R. David; Agapie, Theodor","Tetranuclear [Mn<sup>III</sup>Mn<sub>3</sub><sup>IV</sup>O<sub>4</sub>] Complexes as Spectroscopic Models of the S<sub>2</sub> State of the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","49","17175","17187","10.1021/jacs.8b09961","","","0.71073","MoKα","","0.078","0.0495","","","0.1122","0.1244","","","","","","1.012","","","","has coordinates","243214","2020-10-21","18:00:00",""
"4133418","14.3608","0.0009","27.4932","0.0017","23.6617","0.0014","90","","101.255","0.002","90","","9162.5","1","100","2","100","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C95 H71 Cl2 F3 Mn4 N6 O16 P3 S -","- C95 H71 Cl2 F3 Mn4 N6 O16 P3 S -","- C380 H284 Cl8 F12 Mn16 N24 O64 P12 S4 -","4","1","","Lee, Heui Beom; Shiau, Angela A.; Oyala, Paul H.; Marchiori, David A.; Gul, Sheraz; Chatterjee, Ruchira; Yano, Junko; Britt, R. David; Agapie, Theodor","Tetranuclear [Mn<sup>III</sup>Mn<sub>3</sub><sup>IV</sup>O<sub>4</sub>] Complexes as Spectroscopic Models of the S<sub>2</sub> State of the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","49","17175","17187","10.1021/jacs.8b09961","","","0.71073","MoKα","","0.0861","0.059","","","0.1539","0.1739","","","","","","1.049","","","","has coordinates,has disorder","243214","2020-10-21","18:00:00",""
"4133419","13.2586","0.0018","15.443","0.003","18.255","0.003","89.004","0.005","85.374","0.005","82.474","0.005","3693.4","1.1","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C73.55 H56 Cl2.51 Mn4 N8 O12.57 -","- C73.542 H56 Cl2.508 Mn4 N8 O12.572 -","- C147.084 H112 Cl5.016 Mn8 N16 O25.144 -","2","1","","Lee, Heui Beom; Shiau, Angela A.; Oyala, Paul H.; Marchiori, David A.; Gul, Sheraz; Chatterjee, Ruchira; Yano, Junko; Britt, R. David; Agapie, Theodor","Tetranuclear [Mn<sup>III</sup>Mn<sub>3</sub><sup>IV</sup>O<sub>4</sub>] Complexes as Spectroscopic Models of the S<sub>2</sub> State of the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","49","17175","17187","10.1021/jacs.8b09961","","","0.71073","MoKα","","0.0781","0.0626","","","0.1885","0.2028","","","","","","1.052","","","","has coordinates,has disorder","243214","2020-10-21","18:00:00",""
"4133420","12.925","0.002","15.479","0.002","18.467","0.003","81.151","0.006","84.367","0.006","66.925","0.007","3355.7","0.9","100","2","100.04","","","","","","","","","8","P -1","-P 1","2","","","","- C68 H57 Cl2 F3 Mn4 N8 O14 S -","- C68 H57 Cl2 F3 Mn4 N8 O14 S -","- C136 H114 Cl4 F6 Mn8 N16 O28 S2 -","2","1","","Lee, Heui Beom; Shiau, Angela A.; Oyala, Paul H.; Marchiori, David A.; Gul, Sheraz; Chatterjee, Ruchira; Yano, Junko; Britt, R. David; Agapie, Theodor","Tetranuclear [Mn<sup>III</sup>Mn<sub>3</sub><sup>IV</sup>O<sub>4</sub>] Complexes as Spectroscopic Models of the S<sub>2</sub> State of the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","49","17175","17187","10.1021/jacs.8b09961","","","1.54178","CuKα","","0.1078","0.0786","","","0.2145","0.2416","","","","","","1.029","","","","has coordinates,has disorder","243214","2020-10-21","18:00:00",""
"4133421","41.9795","0.0015","15.5642","0.0008","26.7105","0.0008","90","","122.423","0.001","90","","14731.5","1","100","2","99.99","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C77 H65 F6 Mn4 N8 O15 S -","- C77 H65 F6 Mn4 N8 O15 S -","- C616 H520 F48 Mn32 N64 O120 S8 -","8","1","","Lee, Heui Beom; Shiau, Angela A.; Oyala, Paul H.; Marchiori, David A.; Gul, Sheraz; Chatterjee, Ruchira; Yano, Junko; Britt, R. David; Agapie, Theodor","Tetranuclear [Mn<sup>III</sup>Mn<sub>3</sub><sup>IV</sup>O<sub>4</sub>] Complexes as Spectroscopic Models of the S<sub>2</sub> State of the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","49","17175","17187","10.1021/jacs.8b09961","","","0.71073","MoKα","","0.0991","0.0766","","","0.2334","0.2585","","","","","","1.051","","","","has coordinates","243214","2020-10-21","18:00:00",""
"4133422","14.5237","0.0008","23.9029","0.0014","38.344","0.002","90","","90.844","0.004","90","","13310","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C104 H104 La3 N16 O32 -","- C104 H104 La3 N16 O32 -","- C416 H416 La12 N64 O128 -","4","1","","Wang, Xiaozhu; Jaraquemada-Peláez, María de Guadalupe; Rodríguez-Rodríguez, Cristina; Cao, Yang; Buchwalder, Christian; Choudhary, Neha; Jermilova, Una; Ramogida, Caterina F.; Saatchi, Katayoun; Häfeli, Urs O; Patrick, Brian O.; Orvig, Chris","H<sub>4</sub>octox: Versatile Bimodal Octadentate Acyclic Chelating Ligand for Medicinal Inorganic Chemistry.","Journal of the American Chemical Society","2018","140","45","15487","15500","10.1021/jacs.8b09964","","x-ray","0.71073","MoKα","","0.0851","0.0661","","","0.1742","0.1854","","","","","","1.039","","","","has coordinates,has disorder","243215","2020-10-21","18:00:00",""
"4133423","8.6052","0.0004","10.8224","0.0006","16.0638","0.0008","72.9449","0.0006","78.4844","0.0007","73.8845","0.0006","1362.58","0.12","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H37 Br Cl N O4 Si -","- C25 H37 Br Cl N O4 Si -","- C50 H74 Br2 Cl2 N2 O8 Si2 -","2","1","","Godfrey, Nicole A.; Schatz, Devon J.; Pronin, Sergey V.","Twelve-Step Asymmetric Synthesis of (-)-Nodulisporic Acid C.","Journal of the American Chemical Society","2018","140","40","12770","12774","10.1021/jacs.8b09965","","","0.71073","MoKα","","0.0285","0.0249","","","0.062","0.0639","","","","","","1.04","","","","has coordinates","243216","2020-10-21","18:00:00",""
"4133424","15.3662","0.001","13.9849","0.0009","17.6635","0.0011","90","","97.3964","0.0008","90","","3764.2","0.4","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C184 H232 N8 O16 -","8","2","","Godfrey, Nicole A.; Schatz, Devon J.; Pronin, Sergey V.","Twelve-Step Asymmetric Synthesis of (-)-Nodulisporic Acid C.","Journal of the American Chemical Society","2018","140","40","12770","12774","10.1021/jacs.8b09965","","","0.71073","MoKα","","0.0526","0.0441","","","0.1102","0.1163","","","","","","1.032","","","","has coordinates","243217","2020-10-21","18:00:00",""
"4133425","7.9555","0.0007","16.5243","0.0015","21.253","0.002","90","","90","","90","","2793.9","0.4","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 Br Cl N O4 Si -","- C25 H37 Br Cl N O4 Si -","- C100 H148 Br4 Cl4 N4 O16 Si4 -","4","1","","Godfrey, Nicole A.; Schatz, Devon J.; Pronin, Sergey V.","Twelve-Step Asymmetric Synthesis of (-)-Nodulisporic Acid C.","Journal of the American Chemical Society","2018","140","40","12770","12774","10.1021/jacs.8b09965","","","0.71073","MoKα","","0.0799","0.0734","","","0.1781","0.1815","","","","","","1.076","","","","has coordinates","243218","2020-10-21","18:00:00",""
"4133426","17.139","0.002","17.0795","0.0018","20.123","0.002","90","","98.862","0.005","90","","5820.2","1.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","q07jf128_200K","","","- C76 H64 O -","- C76 H64 O -","- C304 H256 O4 -","4","1","","Fernández-García, Jesús M; Evans, Paul J.; Medina Rivero, Samara; Fernández, Israel; García-Fresnadillo, David; Perles, Josefina; Casado, Juan; Martín, Nazario","π-Extended Corannulene-Based Nanographenes: Selective Formation of Negative Curvature.","Journal of the American Chemical Society","2018","140","49","17188","17196","10.1021/jacs.8b09992","","","0.71073","MoKα","","0.4528","0.1804","","","0.3883","0.5311","","","","","","1.036","","","","has coordinates","243219","2020-10-21","18:00:00",""
"4133427","12.7107","0.0005","16.888","0.0007","17.1768","0.0008","93.094","0.002","100.081","0.002","107.113","0.002","3447.6","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","jf130_200K","","","- C78 H61 Cl3.5 O1.5 -","- C78 H61 Cl3.5 O1.5 -","- C156 H122 Cl7 O3 -","2","1","","Fernández-García, Jesús M; Evans, Paul J.; Medina Rivero, Samara; Fernández, Israel; García-Fresnadillo, David; Perles, Josefina; Casado, Juan; Martín, Nazario","π-Extended Corannulene-Based Nanographenes: Selective Formation of Negative Curvature.","Journal of the American Chemical Society","2018","140","49","17188","17196","10.1021/jacs.8b09992","","","0.71073","MoKα","","0.2383","0.1801","","","0.501","0.552","","","","","","1.216","","","","has coordinates","243219","2020-10-21","18:00:00",""
"4133428","9.0211","0.0004","9.8773","0.0005","12.0584","0.0006","90.0808","0.0016","99.2615","0.0016","91.3378","0.0016","1060.14","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","QC279","","","- C9 H8 F N3 O4 S -","- C9 H8 F N3 O4 S -","- C36 H32 F4 N12 O16 S4 -","4","2","","Jangra, Harish; Chen, Quan; Fuks, Elina; Zenz, Ivo; Mayer, Peter; Ofial, Armin R.; Zipse, Hendrik; Mayr, Herbert","Nucleophilicity and Electrophilicity Parameters for Predicting Absolute Rate Constants of Highly Asynchronous 1,3-Dipolar Cycloadditions of Aryldiazomethanes.","Journal of the American Chemical Society","2018","140","48","16758","16772","10.1021/jacs.8b09995","","","0.71073","MoKα","","0.0447","0.0397","","","0.1014","0.1048","","","","","","1.081","","","","has coordinates","243220","2020-10-21","18:00:00",""
"4133429","26.7901","0.0006","26.7901","0.0006","5.9921","0.0001","90","","90","","120","","3724.42","0.13","100","2","100","2","","","","","","","","4","P 65","P 65","170","QC469","","","- C29 H29 N O4 -","- C29 H29 N O4 -","- C174 H174 N6 O24 -","6","1","","Jangra, Harish; Chen, Quan; Fuks, Elina; Zenz, Ivo; Mayer, Peter; Ofial, Armin R.; Zipse, Hendrik; Mayr, Herbert","Nucleophilicity and Electrophilicity Parameters for Predicting Absolute Rate Constants of Highly Asynchronous 1,3-Dipolar Cycloadditions of Aryldiazomethanes.","Journal of the American Chemical Society","2018","140","48","16758","16772","10.1021/jacs.8b09995","","","0.71073","MoKα","","0.0472","0.0403","","","0.0971","0.0994","","","","","","1.064","","","","has coordinates","243220","2020-10-21","18:00:00",""
"4133430","11.1451","0.0004","16.3538","0.0006","10.6857","0.0004","90","","90","","90","","1947.63","0.12","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","ef-89","","","- C22 H17 N O4 S2 -","- C22 H17 N O4 S2 -","- C88 H68 N4 O16 S8 -","4","1","","Jangra, Harish; Chen, Quan; Fuks, Elina; Zenz, Ivo; Mayer, Peter; Ofial, Armin R.; Zipse, Hendrik; Mayr, Herbert","Nucleophilicity and Electrophilicity Parameters for Predicting Absolute Rate Constants of Highly Asynchronous 1,3-Dipolar Cycloadditions of Aryldiazomethanes.","Journal of the American Chemical Society","2018","140","48","16758","16772","10.1021/jacs.8b09995","","","0.71073","MoKα","","0.0461","0.0404","","","0.0986","0.1047","","","","","","1.077","","","","has coordinates","243220","2020-10-21","18:00:00",""
"4133431","27.392","0.003","8.3185","0.0007","18.8264","0.0019","90","","126.339","0.003","90","","3455.5","0.6","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H17 F3 O3 -","- C20 H17 F3 O3 -","- C160 H136 F24 O24 -","8","2","","Wiest, Johannes M.; Conner, Michael L.; Brown, M. Kevin","Allenoates in Enantioselective [2+2] Cycloadditions: From a Mechanistic Curiosity to a Stereospecific Transformation.","Journal of the American Chemical Society","2018","140","46","15943","15949","10.1021/jacs.8b10008","","","0.71073","MoKα","","0.0915","0.0601","","","0.1549","0.1744","","","","","","1.011","","","","has coordinates","243221","2020-10-21","18:00:00",""
"4133432","6.3241","0.0004","8.6365","0.0005","41.542","0.002","90","","90","","90","","2268.9","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Br5 O2 -","- C22 H17 Br5 O2 -","- C88 H68 Br20 O8 -","4","1","","Wiest, Johannes M.; Conner, Michael L.; Brown, M. Kevin","Allenoates in Enantioselective [2+2] Cycloadditions: From a Mechanistic Curiosity to a Stereospecific Transformation.","Journal of the American Chemical Society","2018","140","46","15943","15949","10.1021/jacs.8b10008","","","0.71073","MoKα","","0.0467","0.0338","","","0.0612","0.0643","","","","","","0.999","","","","has coordinates","243222","2020-10-21","18:00:00",""
"4133433","5.766","0.0005","17.9957","0.0014","21.5234","0.0015","90","","90","","90","","2233.3","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C104 H112 O16 -","8","2","","Wiest, Johannes M.; Conner, Michael L.; Brown, M. Kevin","Allenoates in Enantioselective [2+2] Cycloadditions: From a Mechanistic Curiosity to a Stereospecific Transformation.","Journal of the American Chemical Society","2018","140","46","15943","15949","10.1021/jacs.8b10008","","","1.54178","CuKα","","0.0411","0.0368","","","0.0908","0.0936","","","","","","1.068","","","","has coordinates","243223","2020-10-21","18:00:00",""
"4133434","16.587","0.003","20.288","0.004","23.765","0.005","83.27","0.03","80.28","0.03","81.98","0.03","7769","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H90 Au25 N S2.2 Se15.8 -","- C119 H90 Au25 N S2.176 Se15.824 -","- C238 H180 Au50 N2 S4.352 Se31.648 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0782","0.0614","","","0.1801","0.189","","","","","","1.09","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133435","16.612","0.003","20.297","0.004","23.736","0.005","83.17","0.03","80.2","0.03","81.91","0.03","7771","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C125 H90 Au25 N S2.22 Se15.78 -","- C124 H90 Au25 S2.393 Se15.607 -","- C248 H180 Au50 S4.786 Se31.214 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0836","0.0728","","","0.2153","0.2238","","","","","","1.078","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133436","16.597","0.003","20.304","0.004","23.758","0.005","83.35","0.03","80.26","0.03","81.89","0.03","7777","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C123 H90 Au25 N S2.97 Se15.03 -","- C123 H90 Au25 N S2.857 Se15.143 -","- C246 H180 Au50 N2 S5.714 Se30.286 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0714","0.0635","","","0.182","0.1908","","","","","","1.095","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133437","16.555","0.003","20.257","0.004","23.831","0.005","83.18","0.03","80.08","0.03","81.7","0.03","7754","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C129 H90 Au25 N S1.35 Se16.65 -","- C129 H90 Au25 N S1.355 Se16.645 -","- C258 H180 Au50 N2 S2.71 Se33.29 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0529","0.0493","","","0.1352","0.1417","","","","","","1.033","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133438","16.55","0.003","20.272","0.004","23.826","0.005","83.16","0.03","80.06","0.03","81.68","0.03","7754","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H90 Au25 N S1.21 Se16.79 -","- C128 H90 Au25 N S1.207 Se16.793 -","- C256 H180 Au50 N2 S2.414 Se33.586 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0714","0.0664","","","0.1807","0.1849","","","","","","1.037","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133439","16.558","0.003","20.277","0.004","23.823","0.005","83.13","0.03","80.1","0.03","81.66","0.03","7759","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C131 H90 Au25 N S1.19 Se16.81 -","- C131 H90 Au25 N S1.188 Se16.812 -","- C262 H180 Au50 N2 S2.376 Se33.624 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0605","0.0572","","","0.1567","0.1598","","","","","","1.051","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133440","17.09","0.003","20.273","0.004","26.125","0.005","74.45","0.03","73.34","0.03","67.65","0.03","7890","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C123 H90 Au25 N S3.12 Se14.88 -","- C123 H90 Au25 N S3.118 Se14.882 -","- C246 H180 Au50 N2 S6.236 Se29.764 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.05","0.045","","","0.1214","0.1293","","","","","","1.08","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133441","17.091","0.003","20.257","0.004","26.102","0.005","74.39","0.03","73.37","0.03","67.63","0.03","7875","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H90 Au25 N S2.79 Se15.21 -","- C120 H90 Au25 N S2.79 Se15.21 -","- C240 H180 Au50 N2 S5.58 Se30.42 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0716","0.0671","","","0.1886","0.1935","","","","","","1.037","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133442","16.615","0.003","16.617","0.003","16.798","0.003","70.27","0.03","74.99","0.03","62.56","0.03","3844.6","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H90 Au25 S2.38 Se15.62 -","- C108 H90 Au25 S2.38 Se15.62 -","- C108 H90 Au25 S2.38 Se15.62 -","1","0.5","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0682","0.065","","","0.1707","0.1732","","","","","","1.059","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133443","16.638","0.003","16.653","0.003","16.868","0.003","70.3","0.03","74.97","0.03","62.52","0.03","3873.4","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H90 Au25 S2.36 Se15.64 -","- C108 H90 Au25 S2.36 Se15.64 -","- C108 H90 Au25 S2.36 Se15.64 -","1","0.5","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0599","0.0561","","","0.1579","0.1625","","","","","","1.046","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133444","16.548","0.003","20.264","0.004","23.797","0.005","83.25","0.03","80.14","0.03","81.74","0.03","7745","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C133 H90 Au25 N S1.36 Se16.64 -","- C130 H90 Au25 N S1.377 Se16.623 -","- C260 H180 Au50 N2 S2.754 Se33.246 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0668","0.0602","","","0.1634","0.168","","","","","","1.06","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133445","16.552","0.003","20.297","0.004","23.828","0.005","83.14","0.03","80.05","0.03","81.62","0.03","7764","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H90 Au25 N S1.34 Se16.66 -","- C120 H90 Au25 N S1.333 Se16.667 -","- C240 H180 Au50 N2 S2.666 Se33.334 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0658","0.059","","","0.1672","0.1728","","","","","","1.077","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133446","16.574","0.003","20.332","0.004","23.845","0.005","83.19","0.03","79.85","0.03","81.5","0.03","7787","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H90 Au25 N S1.34 Se16.66 -","- C124 H90 Au25 S1.343 Se16.657 -","- C248 H180 Au50 S2.686 Se33.314 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0766","0.0652","","","0.1746","0.1841","","","","","","1.053","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133447","6.3235","0.0001","8.7307","0.0002","16.0117","0.0003","92.4545","0.0011","91.3114","0.0011","107.094","0.001","843.57","0.03","103","2","103","2","","","","","","","","4","P 1","P 1","1","","","","- C39 H53 N3 O3 -","- C39 H53 N3 O3 -","- C39 H53 N3 O3 -","1","1","","Liu, Guofeng; Sheng, Jianhui; Teo, Wei Liang; Yang, Guangbao; Wu, Hongwei; Li, Yongxin; Zhao, Yanli","Control on Dimensions and Supramolecular Chirality of Self-Assemblies through Light and Metal Ions.","Journal of the American Chemical Society","2018","140","47","16275","16283","10.1021/jacs.8b10024","","","1.54178","CuKα","","0.0482","0.0469","","","0.1188","0.1216","","","","","","1.067","","","","has coordinates,has disorder","243225","2020-10-21","18:00:00",""
"4133448","13.1308","0.0006","14.3903","0.0007","22.4509","0.0011","94.5275","0.0008","91.9082","0.0008","100.816","0.0008","4148.9","0.3","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C86 H76 B F24 Fe6 N12 O2 -","- C86 H76 B F24 Fe6 N12 O2 -","- C172 H152 B2 F48 Fe12 N24 O4 -","2","1","","Sánchez, Raúl Hernández; Betley, Theodore A.","Thermally Persistent High-Spin Ground States in Octahedral Iron Clusters.","Journal of the American Chemical Society","2018","140","48","16792","16806","10.1021/jacs.8b10181","","","0.71073","MoKα","","0.1208","0.0619","","","0.1353","0.1595","","","","","","1.021","","","","has coordinates,has disorder","243226","2020-10-21","18:00:00",""
"4133449","12.9618","0.0009","13.4006","0.001","23.834","0.0018","91.711","0.002","104.785","0.0019","117.907","0.0018","3482.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H78 F6 Fe6 N18 P -","- C76 H78 F6 Fe6 N18 P -","- C152 H156 F12 Fe12 N36 P2 -","2","1","","Sánchez, Raúl Hernández; Betley, Theodore A.","Thermally Persistent High-Spin Ground States in Octahedral Iron Clusters.","Journal of the American Chemical Society","2018","140","48","16792","16806","10.1021/jacs.8b10181","","","0.41328","synchrotron","","0.0583","0.0376","","","0.0935","0.11","","","","","","1.094","","","","has coordinates","243226","2020-10-21","18:00:00",""
"4133450","23.0565","0.0018","15.886","0.0012","17.9778","0.0014","90","","105.974","0.001","90","","6330.6","0.8","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H84 Fe6 N13 -","- C62 H84 Fe6 N13 -","- C248 H336 Fe24 N52 -","4","0.5","","Sánchez, Raúl Hernández; Betley, Theodore A.","Thermally Persistent High-Spin Ground States in Octahedral Iron Clusters.","Journal of the American Chemical Society","2018","140","48","16792","16806","10.1021/jacs.8b10181","","","0.71073","MoKα","","0.0355","0.0256","","","0.0577","0.0602","","","","","","1.032","","","","has coordinates,has disorder","243226","2020-10-21","18:00:00",""
"4133451","13.473","0.0006","15.5825","0.0007","17.2825","0.0007","100.978","0.0014","107.685","0.0013","98.7756","0.0014","3306.6","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C70 H97 Fe6 N12 O4 P -","- C70 H97 Fe6 N12 O4 P -","- C140 H194 Fe12 N24 O8 P2 -","2","1","","Sánchez, Raúl Hernández; Betley, Theodore A.","Thermally Persistent High-Spin Ground States in Octahedral Iron Clusters.","Journal of the American Chemical Society","2018","140","48","16792","16806","10.1021/jacs.8b10181","","","0.71073","MoKα","","0.0633","0.0431","","","0.0946","0.1044","","","","","","1.043","","","","has coordinates,has disorder","243226","2020-10-21","18:00:00",""
"4133452","13.945","0.003","14.132","0.003","15.316","0.003","95.563","0.003","103.823","0.003","117.557","0.003","2521.8","0.9","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C110 H152 Fe6 N18 -","- C110 H152 Fe6 N18 -","- C110 H152 Fe6 N18 -","1","0.5","","Sánchez, Raúl Hernández; Betley, Theodore A.","Thermally Persistent High-Spin Ground States in Octahedral Iron Clusters.","Journal of the American Chemical Society","2018","140","48","16792","16806","10.1021/jacs.8b10181","","","0.71073","MoKα","","0.1589","0.0647","","","0.1056","0.1307","","","","","","0.937","","","","has coordinates,has disorder","243226","2020-10-21","18:00:00",""
"4133453","29.594","0.006","27.812","0.006","30.175","0.006","90","","95.96","0.03","90","","24702","9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C348 H476 Cl20 Fe32 N12 O100 -","- C348 H431 Cl20 Fe32 N12 O100 -","- C696 H862 Cl40 Fe64 N24 O200 -","2","0.5","","Rathnayake, Asanka S.; Fraser, Hector W. L.; Brechin, Euan K.; Dalgarno, Scott J.; Baumeister, Jakob E.; White, Joshua; Rungthanaphatsophon, Pokpong; Walensky, Justin R.; Kelley, Steven P.; Barnes, Charles L.; Atwood, Jerry L.","Site-Specific Metal Chelation Facilitates the Unveiling of Hidden Coordination Sites in an Fe<sup>II</sup>/Fe<sup>III</sup>-Seamed Pyrogallol[4]arene Nanocapsule.","Journal of the American Chemical Society","2018","140","46","15611","15615","10.1021/jacs.8b10186","","","1.54184","CuKα","","0.186","0.1166","","","0.255","0.2997","","","","","","1.034","","","","has coordinates,has disorder","243227","2020-10-21","18:00:00",""
"4133454","12.2367","0.0003","12.6872","0.0003","22.0591","0.0005","96.517","0.001","100.607","0.001","113.124","0.001","3029.61","0.13","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H94 N6 O11 -","- C63 H94 N6 O11 -","- C126 H188 N12 O22 -","2","1","","Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Huang, Feihe","Post-Synthetic Modification of Nonporous Adaptive Crystals of Pillar[4]arene[1]quinone by Capturing Vaporized Amines.","Journal of the American Chemical Society","2018","140","44","15070","15079","10.1021/jacs.8b10192","","","1.54178","CuKα","","0.0778","0.065","","","0.1805","0.1913","","","","","","1.028","","","","has coordinates,has disorder","243228","2020-10-21","18:00:00",""
"4133455","12.4803","0.0008","13.1925","0.0009","22.0752","0.0012","97.674","0.005","99.394","0.005","113.819","0.006","3199.3","0.4","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H82 N3 O10 -","- C66 H82 N3 O10 -","- C132 H164 N6 O20 -","2","1","","Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Huang, Feihe","Post-Synthetic Modification of Nonporous Adaptive Crystals of Pillar[4]arene[1]quinone by Capturing Vaporized Amines.","Journal of the American Chemical Society","2018","140","44","15070","15079","10.1021/jacs.8b10192","","","0.71073","MoKα","","0.1462","0.0907","","","0.2591","0.3215","","","","","","1.035","","","","has coordinates,has disorder","243229","2020-10-21","18:00:00",""
"4133456","18.251","0.002","12.4803","0.0013","25.254","0.003","90","","94.868","0.01","90","","5731.6","1.1","154.7","","154.7","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C60 H83 N3 O10.5 -","- C60 H83 N3 O10.5 -","- C240 H332 N12 O42 -","4","1","","Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Huang, Feihe","Post-Synthetic Modification of Nonporous Adaptive Crystals of Pillar[4]arene[1]quinone by Capturing Vaporized Amines.","Journal of the American Chemical Society","2018","140","44","15070","15079","10.1021/jacs.8b10192","","","0.71073","MoKα","","0.2155","0.1157","","","0.2672","0.3411","","","","","","1.035","","","","has coordinates,has disorder","243230","2020-10-21","18:00:00",""
"4133457","12.4043","0.0003","12.7618","0.0003","22.4296","0.0005","97.336","0.001","100.5","0.001","113.674","0.001","3116.82","0.13","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H95 N3 O10 -","- C66 H95 N3 O10 -","- C132 H190 N6 O20 -","2","1","","Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Huang, Feihe","Post-Synthetic Modification of Nonporous Adaptive Crystals of Pillar[4]arene[1]quinone by Capturing Vaporized Amines.","Journal of the American Chemical Society","2018","140","44","15070","15079","10.1021/jacs.8b10192","","","1.54178","CuKα","","0.0711","0.0637","","","0.1787","0.1854","","","","","","1.052","","","","has coordinates,has disorder","243231","2020-10-21","18:00:00",""
"4133458","12.2429","0.0006","12.5858","0.0007","22.187","0.0009","96.046","0.004","101.187","0.004","114.345","0.005","2989.2","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H89 N3 O11 -","- C63 H89 N3 O11 -","- C126 H178 N6 O22 -","2","1","","Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Huang, Feihe","Post-Synthetic Modification of Nonporous Adaptive Crystals of Pillar[4]arene[1]quinone by Capturing Vaporized Amines.","Journal of the American Chemical Society","2018","140","44","15070","15079","10.1021/jacs.8b10192","","","0.71073","MoKα","","0.111","0.0792","","","0.2139","0.2472","","","","","","1.04","","","","has coordinates","243232","2020-10-21","18:00:00",""
"4133459","6.764","0.004","7.374","0.005","8.058","0.005","98.976","0.011","100.324","0.011","109.945","0.01","361.3","0.4","100","2","99.99","","","","","","","","","4","P -1","-P 1","2","formamidinium nitroformate","formamidinium nitroformate","","- C2 H5 N5 O6 -","- C2 H5 N5 O6 -","- C4 H10 N10 O12 -","2","1","","Baxter, Amanda F.; Martin, Igor; Christe, Karl O.; Haiges, Ralf","Formamidinium Nitroformate: An Insensitive RDX Alternative.","Journal of the American Chemical Society","2018","140","44","15089","15098","10.1021/jacs.8b10200","","","0.71073","MoKα","","0.1238","0.0525","","","0.0989","0.1255","","","","","","0.967","","","","has coordinates","243233","2020-10-21","18:00:00",""
"4133460","10.023","0.004","9.24","0.003","8.25","0.003","90","","116.017","0.005","90","","686.6","0.4","100","2","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","ethylenediammonium dinitroformate","","- C4 H10 N8 O12 -","- C4 H10 N8 O12 -","- C8 H20 N16 O24 -","2","0.25","","Baxter, Amanda F.; Martin, Igor; Christe, Karl O.; Haiges, Ralf","Formamidinium Nitroformate: An Insensitive RDX Alternative.","Journal of the American Chemical Society","2018","140","44","15089","15098","10.1021/jacs.8b10200","","","0.71073","MoKα","","0.0386","0.0327","","","0.0845","0.0882","","","","","","1.051","","","","has coordinates","243234","2020-10-21","18:00:00",""
"4133461","7.409","0.003","9.031","0.004","12.671","0.005","90","","92.666","0.007","90","","846.9","0.6","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethylammonium nitroformate","","- C3 H8 N4 O6 -","- C3 H8 N4 O6 -","- C12 H32 N16 O24 -","4","1","","Baxter, Amanda F.; Martin, Igor; Christe, Karl O.; Haiges, Ralf","Formamidinium Nitroformate: An Insensitive RDX Alternative.","Journal of the American Chemical Society","2018","140","44","15089","15098","10.1021/jacs.8b10200","","","0.71073","MoKα","","0.0672","0.0385","","","0.112","0.133","","","","","","0.92","","","","has coordinates","243235","2020-10-21","18:00:00",""
"4133462","8.5003","0.0011","9.2107","0.0012","10.3713","0.0014","90","","108.348","0.002","90","","770.73","0.18","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methylhydrazinium nitroformate","","- C2 H7 N5 O6 -","- C2 H7 N5 O6 -","- C8 H28 N20 O24 -","4","1","","Baxter, Amanda F.; Martin, Igor; Christe, Karl O.; Haiges, Ralf","Formamidinium Nitroformate: An Insensitive RDX Alternative.","Journal of the American Chemical Society","2018","140","44","15089","15098","10.1021/jacs.8b10200","","x-ray","0.71073","MoKα","","0.0525","0.0338","","","0.0769","0.0855","","","","","","1.037","","","","has coordinates","243236","2020-10-21","18:00:00",""
"4133463","8.226","0.002","8.403","0.002","10.367","0.003","90","","90","","90","","716.6","0.3","100","1","99.99","","","","","","","","","4","P n m a","-P 2ac 2n","62","","methylammonium nitroformate","","- C2 H6 N4 O6 -","- C2 H6 N4 O6 -","- C8 H24 N16 O24 -","4","0.5","","Baxter, Amanda F.; Martin, Igor; Christe, Karl O.; Haiges, Ralf","Formamidinium Nitroformate: An Insensitive RDX Alternative.","Journal of the American Chemical Society","2018","140","44","15089","15098","10.1021/jacs.8b10200","","","0.71073","MoKα","","0.0429","0.035","","","0.0915","0.0975","","","","","","1.0816","","","","has coordinates,has disorder","243237","2020-10-21","18:00:00",""
"4133464","11.8977","0.0008","12.077","0.0008","12.1695","0.0008","76.118","0.001","89.803","0.001","84.021","0.001","1687.89","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","3ag","","","- C34 H43 Br N2 O4 S Si -","- C34 H43 Br N2 O4 S Si -","- C68 H86 Br2 N4 O8 S2 Si2 -","2","1","","Yang, Pei-Jun; Qi, Ling; Liu, Zhen; Yang, Gaosheng; Chai, Zhuo","Lewis Acid Catalyzed Dynamic Kinetic Asymmetric Transformation of Racemic N-Sulfonylaziridines.","Journal of the American Chemical Society","2018","140","49","17211","17217","10.1021/jacs.8b10217","","","0.71073","MoKα","","0.0627","0.0389","","","0.0825","0.0918","","","","","","1.01","","","","has coordinates","243238","2020-10-21","18:00:00",""
"4133465","7.3353","0.0002","14.8015","0.0005","11.0786","0.0004","90","","103.001","0.001","90","","1172.01","0.07","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","trans-6na","","","- C27 H27 N3 O2 S -","- C27 H27 N3 O2 S -","- C54 H54 N6 O4 S2 -","2","1","","Yang, Pei-Jun; Qi, Ling; Liu, Zhen; Yang, Gaosheng; Chai, Zhuo","Lewis Acid Catalyzed Dynamic Kinetic Asymmetric Transformation of Racemic N-Sulfonylaziridines.","Journal of the American Chemical Society","2018","140","49","17211","17217","10.1021/jacs.8b10217","","","0.71073","MoKα","","0.0384","0.0341","","","0.0867","0.0899","","","","","","1.043","","","","has coordinates","243238","2020-10-21","18:00:00",""
"4133466","9.084","0.0004","6.6655","0.0003","18.9521","0.0008","90","","98.78","0.001","90","","1134.09","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","cis-6na","","","- C27 H27 N3 O2 S -","- C27 H27 N3 O2 S -","- C54 H54 N6 O4 S2 -","2","1","","Yang, Pei-Jun; Qi, Ling; Liu, Zhen; Yang, Gaosheng; Chai, Zhuo","Lewis Acid Catalyzed Dynamic Kinetic Asymmetric Transformation of Racemic N-Sulfonylaziridines.","Journal of the American Chemical Society","2018","140","49","17211","17217","10.1021/jacs.8b10217","","x-ray","0.71073","MoKα","","0.0344","0.0315","","","0.0753","0.0769","","","","","","1.02","","","","has coordinates","243238","2020-10-21","18:00:00",""
"4133467","9.559","0.0004","16.4554","0.0009","20.1613","0.001","90","","90","","90","","3171.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","KRA-05-1-5","","","- C16 H20 Cl O2 P -","- C16 H20 Cl O2 P -","- C128 H160 Cl8 O16 P8 -","8","2","","Siebert, Max; Seibicke, Max; Siegle, Alexander F.; Kräh, Sabrina; Trapp, Oliver","Selective Ruthenium-Catalyzed Transformation of Carbon Dioxide: An Alternative Approach toward Formaldehyde.","Journal of the American Chemical Society","2019","141","1","334","341","10.1021/jacs.8b10233","","","0.71073","MoKα","","0.0543","0.0432","","","0.1003","0.1072","","","","","","1.059","","","","has coordinates,has disorder","243239","2020-10-21","18:00:00",""
"4133468","16.4485","0.0006","32.1049","0.0012","19.4326","0.0007","90","","95.256","0.001","90","","10218.8","0.6","104","2","104","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","KRA-07-2-1","","","- C57.21 H72.43 Cl0.43 N P3 -","- C57.2143 H72.4286 Cl0.4288 N P3 -","- C457.714 H579.429 Cl3.4304 N8 P24 -","8","2","","Siebert, Max; Seibicke, Max; Siegle, Alexander F.; Kräh, Sabrina; Trapp, Oliver","Selective Ruthenium-Catalyzed Transformation of Carbon Dioxide: An Alternative Approach toward Formaldehyde.","Journal of the American Chemical Society","2019","141","1","334","341","10.1021/jacs.8b10233","","","0.71073","MoKα","","0.0652","0.0427","","","0.0952","0.1073","","","","","","1.039","","","","has coordinates,has disorder","243239","2020-10-21","18:00:00",""
"4133469","14.4125","0.0005","11.9967","0.0006","23.2456","0.0013","90","","102.13","0.001","90","","3929.5","0.3","104","2","104","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","KRA-21-1-1","","","- C45 H48 N O2.63 P3 -","- C45 H48 N O2.628 P3 -","- C180 H192 N4 O10.512 P12 -","4","1","","Siebert, Max; Seibicke, Max; Siegle, Alexander F.; Kräh, Sabrina; Trapp, Oliver","Selective Ruthenium-Catalyzed Transformation of Carbon Dioxide: An Alternative Approach toward Formaldehyde.","Journal of the American Chemical Society","2019","141","1","334","341","10.1021/jacs.8b10233","","","0.71073","MoKα","","0.061","0.0424","","","0.0978","0.1084","","","","","","1.038","","","","has coordinates","243239","2020-10-21","18:00:00",""
"4133470","10.4191","0.0004","12.8274","0.0005","18.6751","0.0006","97.428","0.001","98.167","0.001","109.249","0.001","2290.7","0.15","104","2","104","2","","","","","","","","6","P -1","-P 1","2","KRA-22-2-4","","","- C50 H55 Cl3 N P3 Ru -","- C50 H55 Cl3 N P3 Ru -","- C100 H110 Cl6 N2 P6 Ru2 -","2","1","","Siebert, Max; Seibicke, Max; Siegle, Alexander F.; Kräh, Sabrina; Trapp, Oliver","Selective Ruthenium-Catalyzed Transformation of Carbon Dioxide: An Alternative Approach toward Formaldehyde.","Journal of the American Chemical Society","2019","141","1","334","341","10.1021/jacs.8b10233","","","0.71073","MoKα","","0.0677","0.0541","","","0.1301","0.1412","","","","","","1.036","","","","has coordinates,has disorder","243239","2020-10-21","18:00:00",""
"4133471","16.056","0.018","15.486","0.017","17.51","0.03","90","","111.03","0.04","90","","4064","10","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Mn(III)(TBDAP)(OH)(PhIO)](OTf)2","","","- C32 H44 F6 I Mn N4 O9 S2 -","- C32 H44 F6 I Mn N4 O9 S2 -","- C128 H176 F24 I4 Mn4 N16 O36 S8 -","4","1","","Jeong, Donghyun; Ohta, Takehiro; Cho, Jaeheung","Structure and Reactivity of a Mononuclear Nonheme Manganese(III)-Iodosylarene Complex.","Journal of the American Chemical Society","2018","140","47","16037","16041","10.1021/jacs.8b10244","","","0.71073","MoKa","","0.0827","0.0525","","","0.1123","0.126","","","","","","1.043","","","","has coordinates","243240","2020-10-21","18:00:00",""
"4133472","9.1748","0.0003","12.0308","0.0003","15.151","0.0004","95.641","0.002","98.831","0.003","109.006","0.003","1542.65","0.08","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H25 F6 N4 O P Ru S -","- C30 H25 F6 N4 O P Ru S -","- C60 H50 F12 N8 O2 P2 Ru2 S2 -","2","1","","Lameijer, Lucien N.; van de Griend, Corjan; Hopkins, Samantha L.; Volbeda, Anne-Geert; Askes, Sven H. C.; Siegler, Maxime A.; Bonnet, Sylvestre","Photochemical Resolution of a Thermally Inert Cyclometalated Ru(phbpy)(N-N)(Sulfoxide)<sup>+</sup> Complex.","Journal of the American Chemical Society","2019","141","1","352","362","10.1021/jacs.8b10264","","","1.54178","CuKα","","0.0279","0.0263","","","0.0623","0.0634","","","","","","1.051","","","","has coordinates,has disorder","243241","2020-10-21","18:00:00",""
"4133473","15.6544","0.0003","38.0206","0.0006","14.7943","0.0003","90","","116.312","0.002","90","","7893.1","0.3","110","2","110","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C36 H27 Cl0.24 F4.53 N6 O P0.76 Ru S -","- C36 H27 Cl0.2447 F4.5324 N6 O P0.7554 Ru S -","- C288 H216 Cl1.9576 F36.2592 N48 O8 P6.0432 Ru8 S8 -","8","1","","Lameijer, Lucien N.; van de Griend, Corjan; Hopkins, Samantha L.; Volbeda, Anne-Geert; Askes, Sven H. C.; Siegler, Maxime A.; Bonnet, Sylvestre","Photochemical Resolution of a Thermally Inert Cyclometalated Ru(phbpy)(N-N)(Sulfoxide)<sup>+</sup> Complex.","Journal of the American Chemical Society","2019","141","1","352","362","10.1021/jacs.8b10264","","","1.54178","CuKα","","0.0695","0.0617","","","0.1779","0.1881","","","","","","1.045","","","","has coordinates,has disorder","243242","2020-10-21","18:00:00",""
"4133474","16.488","0.0005","10.0475","0.0003","18.4299","0.0006","90","","116.276","0.004","90","","2737.68","0.17","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 F6 N4 O P Ru S -","- C28 H25 F6 N4 O P Ru S -","- C112 H100 F24 N16 O4 P4 Ru4 S4 -","4","1","","Lameijer, Lucien N.; van de Griend, Corjan; Hopkins, Samantha L.; Volbeda, Anne-Geert; Askes, Sven H. C.; Siegler, Maxime A.; Bonnet, Sylvestre","Photochemical Resolution of a Thermally Inert Cyclometalated Ru(phbpy)(N-N)(Sulfoxide)<sup>+</sup> Complex.","Journal of the American Chemical Society","2019","141","1","352","362","10.1021/jacs.8b10264","","","0.71073","MoKα","","0.0337","0.0283","","","0.0629","0.066","","","","","","1.03","","","","has coordinates","243243","2020-10-21","18:00:00",""
"4133475","15.1228","0.0004","16.8679","0.0004","25.1053","0.0004","100.234","0.0018","90.1903","0.0018","104.221","0.002","6101.7","0.2","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H25 F6 N6 O P Ru S -","- C32 H25 F6 N6 O P Ru S -","- C256 H200 F48 N48 O8 P8 Ru8 S8 -","8","4","","Lameijer, Lucien N.; van de Griend, Corjan; Hopkins, Samantha L.; Volbeda, Anne-Geert; Askes, Sven H. C.; Siegler, Maxime A.; Bonnet, Sylvestre","Photochemical Resolution of a Thermally Inert Cyclometalated Ru(phbpy)(N-N)(Sulfoxide)<sup>+</sup> Complex.","Journal of the American Chemical Society","2019","141","1","352","362","10.1021/jacs.8b10264","","","1.54178","CuKα","","0.051","0.0364","","","0.0854","0.0917","","","","","","0.894","","","","has coordinates,has disorder","243244","2020-10-21","18:00:00",""
"4133476","6.7382","0.0005","13.5359","0.0009","14.4823","0.0009","90","","95.384","0.004","90","","1315.07","0.15","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 B10 -","- C8 H16 B10 -","- C32 H64 B40 -","4","1","","Tang, Cen; Zhang, Jiji; Zhang, Jie; Xie, Zuowei","Regioselective Nucleophilic Alkylation/Arylation of B-H Bonds in o-Carboranes: An Alternative Method for Selective Cage Boron Functionalization.","Journal of the American Chemical Society","2018","140","48","16423","16427","10.1021/jacs.8b10270","","","0.71073","MoKα","","0.0929","0.054","","","0.143","0.1661","","","","","","1.027","","","","has coordinates","243245","2020-10-21","18:00:00",""
"4133477","8.9801","0.0003","10.7996","0.0004","12.6811","0.0004","112.362","0.0013","97.0307","0.0013","106.717","0.0012","1051.3","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H28 B10 -","- C18 H28 B10 -","- C36 H56 B20 -","2","1","","Tang, Cen; Zhang, Jiji; Zhang, Jie; Xie, Zuowei","Regioselective Nucleophilic Alkylation/Arylation of B-H Bonds in o-Carboranes: An Alternative Method for Selective Cage Boron Functionalization.","Journal of the American Chemical Society","2018","140","48","16423","16427","10.1021/jacs.8b10270","","","1.54178","CuKα","","0.0848","0.0702","","","0.202","0.2176","","","","","","1.066","","","","has coordinates","243246","2020-10-21","18:00:00",""
"4133478","10.227","0.0005","7.9359","0.0003","26.7561","0.0013","90","","91.4085","0.0016","90","","2170.88","0.17","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 B10 -","- C17 H30 B10 -","- C68 H120 B40 -","4","1","","Tang, Cen; Zhang, Jiji; Zhang, Jie; Xie, Zuowei","Regioselective Nucleophilic Alkylation/Arylation of B-H Bonds in o-Carboranes: An Alternative Method for Selective Cage Boron Functionalization.","Journal of the American Chemical Society","2018","140","48","16423","16427","10.1021/jacs.8b10270","","","0.71073","MoKα","","0.1095","0.0663","","","0.1706","0.2038","","","","","","1.019","","","","has coordinates","243247","2020-10-21","18:00:00",""
"4133479","11.9901","0.0009","13.1211","0.0011","9.2461","0.0006","90","","90","","90","","1454.63","0.19","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9 H18 B10 -","- C9 H18 B10 -","- C36 H72 B40 -","4","1","","Tang, Cen; Zhang, Jiji; Zhang, Jie; Xie, Zuowei","Regioselective Nucleophilic Alkylation/Arylation of B-H Bonds in o-Carboranes: An Alternative Method for Selective Cage Boron Functionalization.","Journal of the American Chemical Society","2018","140","48","16423","16427","10.1021/jacs.8b10270","","","1.54178","CuKα","","0.13","0.0639","","","0.1465","0.1823","","","","","","1.014","","","","has coordinates","243248","2020-10-21","18:00:00",""
"4133480","13.2397","0.0004","30.39","0.0009","15.9976","0.0004","90","","105.737","0.001","90","","6195.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C146 H192 Li2 O16 -","- C146 H192 Li2 O16 -","- C292 H384 Li4 O32 -","2","0.5","","Dong, Shaoqiang; Gopalakrishna, Tullimilli Y.; Han, Yi; Phan, Hoa; Tao, Tao; Ni, Yong; Liu, Gang; Chi, Chunyan","Extended Bis(anthraoxa)quinodimethanes with Nine and Ten Consecutively Fused Six-Membered Rings: Neutral Diradicaloids and Charged Diradical Dianions/Dications.","Journal of the American Chemical Society","2019","141","1","62","66","10.1021/jacs.8b10279","","","1.54178","CuKα","","0.057","0.0481","","","0.1029","0.1064","","","","","","1.051","","","","has coordinates","243249","2020-10-21","18:00:00",""
"4133481","7.6416","0.0002","15.0479","0.0005","23.3547","0.0008","89.396","0.002","86.094","0.001","83.812","0.001","2663.69","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C118 H104 F6 O6 -","- C118 H104 F6 O6 -","- C118 H104 F6 O6 -","1","0.5","","Dong, Shaoqiang; Gopalakrishna, Tullimilli Y.; Han, Yi; Phan, Hoa; Tao, Tao; Ni, Yong; Liu, Gang; Chi, Chunyan","Extended Bis(anthraoxa)quinodimethanes with Nine and Ten Consecutively Fused Six-Membered Rings: Neutral Diradicaloids and Charged Diradical Dianions/Dications.","Journal of the American Chemical Society","2019","141","1","62","66","10.1021/jacs.8b10279","","","1.54178","CuKα","","0.1057","0.0969","","","0.2621","0.2704","","","","","","1.069","","","","has coordinates,has disorder","243250","2020-10-21","18:00:00",""
"4133482","14.0023","0.0014","17.9457","0.0018","18.3619","0.0018","116.776","0.003","100.802","0.004","99.945","0.003","3868.4","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C178 H234 Li2 O18 -","- C178 H234 Li2 O18 -","- C178 H234 Li2 O18 -","1","0.5","","Dong, Shaoqiang; Gopalakrishna, Tullimilli Y.; Han, Yi; Phan, Hoa; Tao, Tao; Ni, Yong; Liu, Gang; Chi, Chunyan","Extended Bis(anthraoxa)quinodimethanes with Nine and Ten Consecutively Fused Six-Membered Rings: Neutral Diradicaloids and Charged Diradical Dianions/Dications.","Journal of the American Chemical Society","2019","141","1","62","66","10.1021/jacs.8b10279","","","1.54178","CuKα","","0.0869","0.0794","","","0.2366","0.2471","","","","","","1.034","","","","has coordinates,has disorder","243251","2020-10-21","18:00:00",""
"4133483","12.7262","0.0007","14.1728","0.0008","22.2771","0.0012","82.881","0.002","75.763","0.002","65.38","0.002","3539.5","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C96 H94 O2 -","- C96 H94 O2 -","- C192 H188 O4 -","2","1","","Dong, Shaoqiang; Gopalakrishna, Tullimilli Y.; Han, Yi; Phan, Hoa; Tao, Tao; Ni, Yong; Liu, Gang; Chi, Chunyan","Extended Bis(anthraoxa)quinodimethanes with Nine and Ten Consecutively Fused Six-Membered Rings: Neutral Diradicaloids and Charged Diradical Dianions/Dications.","Journal of the American Chemical Society","2019","141","1","62","66","10.1021/jacs.8b10279","","","1.54178","CuKα","","0.0776","0.0673","","","0.1871","0.1998","","","","","","1.03","","","","has coordinates,has disorder","243252","2020-10-21","18:00:00",""
"4133484","9.52","0.0002","13.4283","0.0004","20.6016","0.0006","90","","90","","90","","2633.66","0.12","100","","99.98","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-((1S,2S)-1-(2,6-dimethylphenyl)-4-phenyl-2-(phenylthio)butyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane","","- C30 H37 B O2 S -","- C30 H37 B O2 S -","- C120 H148 B4 O8 S4 -","4","1","","Tao, Zhonglin; Robb, Kevin A.; Panger, Jesse L.; Denmark, Scott E.","Enantioselective, Lewis Base-Catalyzed Carbosulfenylation of Alkenylboronates by 1,2-Boronate Migration.","Journal of the American Chemical Society","2018","140","46","15621","15625","10.1021/jacs.8b10288","","","0.71073","MoKα","","0.0337","0.0306","","","0.0715","0.0733","","","","","","1.0408","","","","has coordinates","243253","2020-10-21","18:00:00",""
"4133485","8.9084","0.0004","39.9686","0.0019","13.1196","0.0006","90","","109.252","0.002","90","","4410.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C144 H244 N28 O63 -","- C144 H244 N28 O63 -","- C144 H244 N28 O63 -","1","0.5","","Mondal, Sudipta; Jacoby, Guy; Sawaya, Michael R.; Arnon, Zohar A.; Adler-Abramovich, Lihi; Rehak, Pavel; Vuković, Lela; Shimon, Linda J. W.; Král, Petr; Beck, Roy; Gazit, Ehud","Transition of Metastable Cross-α Crystals into Cross-β Fibrils by β-Turn Flipping.","Journal of the American Chemical Society","2019","141","1","363","369","10.1021/jacs.8b10289","","","0.71073","MoKα","","0.0641","0.0532","","","0.1315","0.1391","","","","","","1.053","","","","has coordinates,has disorder","243254","2020-10-21","18:00:00",""
"4133486","5.028","0.001","10.144","0.002","10.796","0.002","109.16","0.03","95.29","0.03","92.72","0.03","516.2","0.2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 F3 O2 -","- C11 H11 F3 O2 -","- C22 H22 F6 O4 -","2","1","","Liu, Jie; Wei, Yongliang; Tang, Pingping","Cobalt-Catalyzed Trifluoromethoxylation of Epoxides.","Journal of the American Chemical Society","2018","140","45","15194","15199","10.1021/jacs.8b10298","","","0.71073","MoKα","","0.0981","0.0533","","","0.1077","0.1246","","","","","","0.995","","","","has coordinates","243255","2020-10-21","18:00:00",""
"4133487","8.6067","0.0012","9.8761","0.0015","21.569","0.003","90","","90","","90","","1833.4","0.5","199","2","199","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1029","0.0735","","","0.1997","0.2157","","","","","","1.094","","","","has coordinates","243256","2020-10-21","18:00:00",""
"4133488","8.6046","0.001","9.8826","0.0011","21.43","0.003","90","","90","","90","","1822.3","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0809","0.056","","","0.1452","0.1589","","","","","","1.041","","","","has coordinates","243257","2020-10-21","18:00:00",""
"4133489","8.6191","0.0016","9.901","0.0019","21.737","0.004","90","","90","","90","","1855","0.6","269","2","269","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1025","0.0732","","","0.199","0.2149","","","","","","1.094","","","","has coordinates","243258","2020-10-21","18:00:00",""
"4133490","8.7702","0.0018","9.952","0.002","21.743","0.004","90","","90","","90","","1897.8","0.6","310","2","310","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1024","0.0717","","","0.1967","0.2173","","","","","","1.053","","","","has coordinates","243259","2020-10-21","18:00:00",""
"4133491","8.7678","0.0017","9.943","0.002","21.634","0.004","90","","90","","90","","1886","0.6","279","2","279","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.103","0.0713","","","0.1906","0.2115","","","","","","1.058","","","","has coordinates","243260","2020-10-21","18:00:00",""
"4133492","8.6175","0.0016","9.8992","0.0019","21.74","0.004","90","","90","","90","","1854.6","0.6","270","2","270","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1014","0.0747","","","0.201","0.2152","","","","","","1.089","","","","has coordinates","243261","2020-10-21","18:00:00",""
"4133493","8.6168","0.0015","9.898","0.0019","21.715","0.004","90","","90","","90","","1852.1","0.6","260","2","260","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0974","0.0717","","","0.1987","0.2129","","","","","","1.092","","","","has coordinates","243262","2020-10-21","18:00:00",""
"4133494","8.6152","0.0015","9.8905","0.0018","21.64","0.004","90","","90","","90","","1843.9","0.6","229","2","229","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0857","0.0689","","","0.1886","0.1999","","","","","","1.085","","","","has coordinates","243263","2020-10-21","18:00:00",""
"4133495","8.6189","0.0016","9.8998","0.0019","21.717","0.004","90","","90","","90","","1853","0.6","259","2","259","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0884","0.071","","","0.1935","0.2053","","","","","","1.079","","","","has coordinates","243264","2020-10-21","18:00:00",""
"4133496","8.7703","0.0018","9.946","0.002","21.667","0.005","90","","90","","90","","1890","0.7","289","2","289","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1053","0.0726","","","0.199","0.2201","","","","","","1.068","","","","has coordinates","243265","2020-10-21","18:00:00",""
"4133497","8.6116","0.0013","9.885","0.0016","21.582","0.003","90","","90","","90","","1837.2","0.5","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.099","0.0698","","","0.187","0.2009","","","","","","1.085","","","","has coordinates","243266","2020-10-21","18:00:00",""
"4133498","8.6181","0.0015","9.8959","0.0018","21.651","0.004","90","","90","","90","","1846.5","0.6","230","2","230","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1027","0.0734","","","0.2004","0.2165","","","","","","1.092","","","","has coordinates","243267","2020-10-21","18:00:00",""
"4133499","8.7614","0.0017","9.9569","0.0015","21.863","0.004","90","","90","","90","","1907.2","0.6","340","2","340","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0973","0.0618","","","0.1841","0.2055","","","","","","1.061","","","","has coordinates","243268","2020-10-21","18:00:00",""
"4133500","8.7668","0.0016","9.9419","0.0019","21.658","0.004","90","","90","","90","","1887.7","0.6","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1001","0.0709","","","0.1934","0.2105","","","","","","1.046","","","","has coordinates","243270","2020-10-21","18:00:00",""
"4133501","8.824","0.0003","13.4501","0.0005","15.5579","0.0006","67.708","0.004","74.052","0.003","86.15","0.003","1641.28","0.12","99.8","0.8","99.8","0.8","","","","","","","","2","P -1","-P 1","2","","","","- C43 H46 -","- C43 H46 -","- C86 H92 -","2","1","","Choi, Inho; Yang, Sanghee; Choi, Tae-Lim","Preparing Semiconducting Nanoribbons with Tunable Length and Width via Crystallization-Driven Self-Assembly of a Simple Conjugated Homopolymer.","Journal of the American Chemical Society","2018","140","49","17218","17225","10.1021/jacs.8b10406","","x-ray","1.54184","CuKα","","0.063","0.058","","","0.1473","0.1509","","","","","","1.092","","","","has coordinates","243271","2020-10-21","18:00:00",""
"4133502","25.18","0.003","15.2158","0.0018","19.325","0.002","90","","92.509","0.002","90","","7397","1.5","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C118 H46 Cl6 N4 Ni S0 U -","- C118 H46 Cl6 N4 Ni U0.9996 -","- C472 H184 Cl24 N16 Ni4 U3.9984 -","4","0.5","","Cai, Wenting; Abella, Laura; Zhuang, Jiaxin; Zhang, Xingxing; Feng, Lai; Wang, Yaofeng; Morales-Martínez, Roser; Esper, Ronda; Boero, Mauro; Metta-Magaña, Alejandro; Rodríguez-Fortea, Antonio; Poblet, Josep M.; Echegoyen, Luis; Chen, Ning","Synthesis and Characterization of Non-Isolated-Pentagon-Rule Actinide Endohedral Metallofullerenes U@ C<sub>1</sub>(17418)-C<sub>76</sub>, U@ C<sub>1</sub>(28324)-C<sub>80</sub>, and Th@ C<sub>1</sub>(28324)-C<sub>80</sub>: Low-Symmetry Cage Selection Directed by a Tetravalent Ion.","Journal of the American Chemical Society","2018","140","51","18039","18050","10.1021/jacs.8b10435","","","0.71073","MoKα","","0.1842","0.1285","","","0.3656","0.3941","","","","","","1.403","","","","has coordinates,has disorder","243272","2020-10-21","18:00:00",""
"4133503","18.686","0.005","15.184","0.004","25.496","0.006","90","","91.39","0.006","90","","7232","3","150","2","150","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C113 H45 Cl3 I0 N4 Ni S0 U -","- C113 H45 Cl3 N4 Ni U -","- C452 H180 Cl12 N16 Ni4 U4 -","4","1","","Cai, Wenting; Abella, Laura; Zhuang, Jiaxin; Zhang, Xingxing; Feng, Lai; Wang, Yaofeng; Morales-Martínez, Roser; Esper, Ronda; Boero, Mauro; Metta-Magaña, Alejandro; Rodríguez-Fortea, Antonio; Poblet, Josep M.; Echegoyen, Luis; Chen, Ning","Synthesis and Characterization of Non-Isolated-Pentagon-Rule Actinide Endohedral Metallofullerenes U@ C<sub>1</sub>(17418)-C<sub>76</sub>, U@ C<sub>1</sub>(28324)-C<sub>80</sub>, and Th@ C<sub>1</sub>(28324)-C<sub>80</sub>: Low-Symmetry Cage Selection Directed by a Tetravalent Ion.","Journal of the American Chemical Society","2018","140","51","18039","18050","10.1021/jacs.8b10435","","","0.71073","MoKα","","0.1754","0.1236","","","0.3435","0.375","","","","","","1.263","","","","has coordinates,has disorder","243273","2020-10-21","18:00:00",""
"4133504","45.4289","0.0008","15.0655","0.0003","25.2663","0.0004","90","","120.302","0.001","90","","14930","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Th@C80/NiOEP/2(C6H6)","","","- C128 H56 N4 Ni Th -","- C128 H56 N4 Ni Th0.9996 -","- C1024 H448 N32 Ni8 Th7.9968 -","8","1","","Cai, Wenting; Abella, Laura; Zhuang, Jiaxin; Zhang, Xingxing; Feng, Lai; Wang, Yaofeng; Morales-Martínez, Roser; Esper, Ronda; Boero, Mauro; Metta-Magaña, Alejandro; Rodríguez-Fortea, Antonio; Poblet, Josep M.; Echegoyen, Luis; Chen, Ning","Synthesis and Characterization of Non-Isolated-Pentagon-Rule Actinide Endohedral Metallofullerenes U@ C<sub>1</sub>(17418)-C<sub>76</sub>, U@ C<sub>1</sub>(28324)-C<sub>80</sub>, and Th@ C<sub>1</sub>(28324)-C<sub>80</sub>: Low-Symmetry Cage Selection Directed by a Tetravalent Ion.","Journal of the American Chemical Society","2018","140","51","18039","18050","10.1021/jacs.8b10435","","","1.54178","CuKα","","0.1023","0.0967","","","0.2672","0.2743","","","","","","1.039","","","","has coordinates,has disorder","243274","2020-10-21","18:00:00",""
"4133505","9.7778","0.0003","10.9762","0.0003","23.229","0.0006","90","","93.747","0.002","90","","2487.68","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N3 O7 S -","- C26 H27 N3 O7 S -","- C104 H108 N12 O28 S4 -","4","1","","Farndon, Joshua J.; Young, Tom A.; Bower, John F.","Stereospecific Alkene Aziridination Using a Bifunctional Amino-Reagent: An Aza-Prilezhaev Reaction.","Journal of the American Chemical Society","2018","140","51","17846","17850","10.1021/jacs.8b10485","","","0.71073","MoKα","","0.0531","0.0376","","","0.0842","0.0913","","","","","","1.019","","","","has coordinates,has disorder","243275","2020-10-21","18:00:00",""
"4133506","8.2302","0.0002","15.7113","0.0004","11.2016","0.0003","90","","93.2127","0.0014","90","","1446.17","0.06","100","","100.04","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cl N O2 -","- C15 H20 Cl N O2 -","- C60 H80 Cl4 N4 O8 -","4","1","","Farndon, Joshua J.; Young, Tom A.; Bower, John F.","Stereospecific Alkene Aziridination Using a Bifunctional Amino-Reagent: An Aza-Prilezhaev Reaction.","Journal of the American Chemical Society","2018","140","51","17846","17850","10.1021/jacs.8b10485","","","0.71073","MoKα","","0.0383","0.0336","","","0.0886","0.0918","","","","","","1.037","","","","has coordinates","243276","2020-10-21","18:00:00",""
"4133507","5.7714","0.0002","7.3205","0.0002","22.5971","0.0007","90","","90","","90","","954.72","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Cl N -","- C11 H12 Cl N -","- C44 H48 Cl4 N4 -","4","1","","Farndon, Joshua J.; Young, Tom A.; Bower, John F.","Stereospecific Alkene Aziridination Using a Bifunctional Amino-Reagent: An Aza-Prilezhaev Reaction.","Journal of the American Chemical Society","2018","140","51","17846","17850","10.1021/jacs.8b10485","","","0.71073","MoKα","","0.0338","0.0287","","","0.0633","0.0653","","","","","","1.053","","","","has coordinates,has disorder","243277","2020-10-21","18:00:00",""
"4133508","12.6","0.0003","14.7908","0.0004","13.3412","0.0004","90","","105.054","0.002","90","","2400.99","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N2 O7 S -","- C26 H28 N2 O7 S -","- C104 H112 N8 O28 S4 -","4","1","","Farndon, Joshua J.; Young, Tom A.; Bower, John F.","Stereospecific Alkene Aziridination Using a Bifunctional Amino-Reagent: An Aza-Prilezhaev Reaction.","Journal of the American Chemical Society","2018","140","51","17846","17850","10.1021/jacs.8b10485","","","0.71073","MoKα","","0.0527","0.0379","","","0.0897","0.0967","","","","","","1.025","","","","has coordinates","243278","2020-10-21","18:00:00",""
"4133509","16.3198","0.0011","12.408","0.0008","13.98","0.001","90","","113.396","0.004","90","","2598.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 F3 N2 O7 S -","- C24 H31 F3 N2 O7 S -","- C96 H124 F12 N8 O28 S4 -","4","1","","Farndon, Joshua J.; Young, Tom A.; Bower, John F.","Stereospecific Alkene Aziridination Using a Bifunctional Amino-Reagent: An Aza-Prilezhaev Reaction.","Journal of the American Chemical Society","2018","140","51","17846","17850","10.1021/jacs.8b10485","","","0.71073","MoKα","","0.063","0.0436","","","0.1219","0.1402","","","","","","0.968","","","","has coordinates","243279","2020-10-21","18:00:00",""
"4133510","10.6321","0.0006","21.0128","0.0014","22.5307","0.0015","98.837","0.004","103.69","0.004","102.785","0.004","4655.3","0.5","100","2","99.97","","","","","","","","","5","P -1","-P 1","2","","","","- C101 H81 F24 N8 P4 -","- C101 H81 F24 N8 P4 -","- C202 H162 F48 N16 P8 -","2","1","","Wu, Huang; Chen, Yong; Zhang, Long; Anamimoghadam, Ommid; Shen, Dengke; Liu, Zhichang; Cai, Kang; Pezzato, Cristian; Stern, Charlotte L.; Liu, Yu; Stoddart, J. Fraser","A Dynamic Tetracationic Macrocycle Exhibiting Photoswitchable Molecular Encapsulation.","Journal of the American Chemical Society","2019","141","3","1280","1289","10.1021/jacs.8b10526","","","1.54178","CuKα","","0.1353","0.1212","","","0.3998","0.4153","","","","","","1.838","","","","has coordinates,has disorder","243280","2020-10-21","18:00:00",""
"4133511","32.128","0.003","40.07","0.004","12.3508","0.0012","90","","99.299","0.006","90","","15691","3","250","2","250","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H54 F24 N6 P4 -","- C62 H54 F24 N6 P4 -","- C496 H432 F192 N48 P32 -","8","1","","Wu, Huang; Chen, Yong; Zhang, Long; Anamimoghadam, Ommid; Shen, Dengke; Liu, Zhichang; Cai, Kang; Pezzato, Cristian; Stern, Charlotte L.; Liu, Yu; Stoddart, J. Fraser","A Dynamic Tetracationic Macrocycle Exhibiting Photoswitchable Molecular Encapsulation.","Journal of the American Chemical Society","2019","141","3","1280","1289","10.1021/jacs.8b10526","","","1.54178","CuKα","","0.157","0.1348","","","0.4119","0.4322","","","","","","1.644","","","","has coordinates,has disorder","243281","2020-10-21","18:00:00",""
"4133512","17.802","0.004","17.802","0.004","26.606","0.007","90","","90","","90","","8432","3","100","2","99.99","","","","","","","","","6","I 41 m d","I 4bw -2","109","","","","- C76 H58 F24 N4 O2 P4 -","- C76 H58 F24 N4 O2 P4 -","- C304 H232 F96 N16 O8 P16 -","4","0.25","","Wu, Huang; Chen, Yong; Zhang, Long; Anamimoghadam, Ommid; Shen, Dengke; Liu, Zhichang; Cai, Kang; Pezzato, Cristian; Stern, Charlotte L.; Liu, Yu; Stoddart, J. Fraser","A Dynamic Tetracationic Macrocycle Exhibiting Photoswitchable Molecular Encapsulation.","Journal of the American Chemical Society","2019","141","3","1280","1289","10.1021/jacs.8b10526","","","1.54178","CuKα","","0.0662","0.0583","","","0.1758","0.1857","","","","","","1.053","","","","has coordinates,has disorder","243282","2020-10-21","18:00:00",""
"4133513","10.3102","0.0007","11.1967","0.0008","21.5627","0.0015","79.7093","0.0016","86.3983","0.0016","64.3662","0.0016","2207.8","0.3","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C94 H80 F24 N8 P4 -","- C94 H80 F24 N8 P4 -","- C94 H80 F24 N8 P4 -","1","0.5","","Wu, Huang; Chen, Yong; Zhang, Long; Anamimoghadam, Ommid; Shen, Dengke; Liu, Zhichang; Cai, Kang; Pezzato, Cristian; Stern, Charlotte L.; Liu, Yu; Stoddart, J. Fraser","A Dynamic Tetracationic Macrocycle Exhibiting Photoswitchable Molecular Encapsulation.","Journal of the American Chemical Society","2019","141","3","1280","1289","10.1021/jacs.8b10526","","","0.71073","MoKα","","0.1131","0.0884","","","0.2536","0.279","","","","","","1.067","","","","has coordinates,has disorder","243283","2020-10-21","18:00:00",""
"4133514","19.84","0.0008","12.3137","0.0005","14.4575","0.0006","90","","105.945","0.002","90","","3396.1","0.2","100","2","100.02","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H51 F24 N5 P4 -","- C60 H51 F24 N5 P4 -","- C120 H102 F48 N10 P8 -","2","0.5","","Wu, Huang; Chen, Yong; Zhang, Long; Anamimoghadam, Ommid; Shen, Dengke; Liu, Zhichang; Cai, Kang; Pezzato, Cristian; Stern, Charlotte L.; Liu, Yu; Stoddart, J. Fraser","A Dynamic Tetracationic Macrocycle Exhibiting Photoswitchable Molecular Encapsulation.","Journal of the American Chemical Society","2019","141","3","1280","1289","10.1021/jacs.8b10526","","","1.54178","CuKα","","0.112","0.0916","","","0.266","0.2874","","","","","","1.216","","","","has coordinates,has disorder","243284","2020-10-21","18:00:00",""
"4133515","19.8606","0.0011","12.2479","0.0006","14.4094","0.0009","90","","105.31","0.004","90","","3380.7","0.3","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H56 F24 N4 O2 P4 -","- C72 H56 F24 N4 O2 P4 -","- C144 H112 F48 N8 O4 P8 -","2","0.5","","Wu, Huang; Chen, Yong; Zhang, Long; Anamimoghadam, Ommid; Shen, Dengke; Liu, Zhichang; Cai, Kang; Pezzato, Cristian; Stern, Charlotte L.; Liu, Yu; Stoddart, J. Fraser","A Dynamic Tetracationic Macrocycle Exhibiting Photoswitchable Molecular Encapsulation.","Journal of the American Chemical Society","2019","141","3","1280","1289","10.1021/jacs.8b10526","","","1.54178","CuKα","","0.0955","0.0765","","","0.2092","0.23","","","","","","1.043","","","","has coordinates,has disorder","243285","2020-10-21","18:00:00",""
"4133516","32.4628","0.0015","19.1378","0.001","14.8992","0.0008","90","","116.386","0.002","90","","8292","0.7","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H51 N9 O9 -","- C45 H51 N9 O9 -","- C360 H408 N72 O72 -","8","1","","Zhao, Chenfei; Diercks, Christian S.; Zhu, Chenhui; Hanikel, Nikita; Pei, Xiaokun; Yaghi, Omar M.","Urea-Linked Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","48","16438","16441","10.1021/jacs.8b10612","","x-ray","0.71073","MoKα","","0.1027","0.0842","","","0.2357","0.2604","","","","","","0.983","","","","has coordinates","243286","2020-10-21","18:00:00",""
"4133517","27.5497","0.0007","16.772","0.0005","24.5756","0.0007","90","","96.29","0.001","90","","11287.1","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","[Cu(PPh2C4)2phen]2(PF6)2","","- C123 H119 Cu2 F12 N9 O P6 -","- C123 H119 Cu2 F12 N9 O P6 -","- C492 H476 Cu8 F48 N36 O4 P24 -","4","0.5","","Takeda, Hiroyuki; Kamiyama, Hiroko; Okamoto, Kouhei; Irimajiri, Mina; Mizutani, Toshihide; Koike, Kazuhide; Sekine, Akiko; Ishitani, Osamu","Highly Efficient and Robust Photocatalytic Systems for CO<sub>2</sub> Reduction Consisting of a Cu(I) Photosensitizer and Mn(I) Catalysts.","Journal of the American Chemical Society","2018","140","49","17241","17254","10.1021/jacs.8b10619","","","1.54178","CuKα","","0.1023","0.0842","","","0.2306","0.2507","","","","","","1.078","","","","has coordinates,has disorder","243287","2020-10-21","18:00:00",""
"4133518","8.3514","0.0004","13.3861","0.0006","15.2817","0.0007","83.607","0.002","86.533","0.002","87.048","0.002","1692.92","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","175-F1","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C80 H80 O12 S4 -","4","2","","Gerwien, Aaron; Mayer, Peter; Dube, Henry","Photon-Only Molecular Motor with Reverse Temperature-Dependent Efficiency.","Journal of the American Chemical Society","2018","140","48","16442","16445","10.1021/jacs.8b10660","","","0.71073","MoKα","","0.0611","0.042","","","0.0934","0.1041","","","","","","1.039","","","","has coordinates","243288","2020-10-21","18:00:00",""
"4133519","13.0489","0.0003","15.1168","0.0004","16.9239","0.0004","90","","90","","90","","3338.37","0.14","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","175-F2","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C160 H160 O24 S8 -","8","1","","Gerwien, Aaron; Mayer, Peter; Dube, Henry","Photon-Only Molecular Motor with Reverse Temperature-Dependent Efficiency.","Journal of the American Chemical Society","2018","140","48","16442","16445","10.1021/jacs.8b10660","","","0.71073","MoKα","","0.0489","0.0347","","","0.081","0.092","","","","","","1.07","","","","has coordinates","243288","2020-10-21","18:00:00",""
"4133520","10.0205","0.0003","10.8597","0.0003","16.2287","0.0005","81.764","0.001","80.799","0.001","85.353","0.001","1722.24","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","175-B-F1","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C80 H80 O12 S4 -","4","2","","Gerwien, Aaron; Mayer, Peter; Dube, Henry","Photon-Only Molecular Motor with Reverse Temperature-Dependent Efficiency.","Journal of the American Chemical Society","2018","140","48","16442","16445","10.1021/jacs.8b10660","","","0.71073","MoKα","","0.0573","0.0417","","","0.0922","0.1012","","","","","","1.023","","","","has coordinates","243288","2020-10-21","18:00:00",""
"4133521","10.3115","0.0003","12.0645","0.0003","13.9574","0.0003","90","","90","","90","","1736.34","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","175-B-F2","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C80 H80 O12 S4 -","4","1","","Gerwien, Aaron; Mayer, Peter; Dube, Henry","Photon-Only Molecular Motor with Reverse Temperature-Dependent Efficiency.","Journal of the American Chemical Society","2018","140","48","16442","16445","10.1021/jacs.8b10660","","","0.71073","MoKα","","0.0297","0.0271","","","0.0627","0.0644","","","","","","1.08","","","","has coordinates","243288","2020-10-21","18:00:00",""
"4133522","6.905","0.0002","20.104","0.0006","22.846","0.0006","90","","90","","90","","3171.44","0.16","298","","298","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H8 Br F5 N2 O Pd -","- C16 H8 Br F5 N2 O Pd -","- C128 H64 Br8 F40 N16 O8 Pd8 -","8","1","","Salamanca, Vanesa; Toledo, Alberto; Albéniz, Ana C","[2,2'-Bipyridin]-6(1 H)-one, a Truly Cooperating Ligand in the Palladium-Mediated C-H Activation Step: Experimental Evidence in the Direct C-3 Arylation of Pyridine.","Journal of the American Chemical Society","2018","140","51","17851","17856","10.1021/jacs.8b10680","","x-ray","0.71073","MoKα","","0.0625","0.0364","","","0.0741","0.0843","","","","","","1.0365","","","","has coordinates","243289","2020-10-21","18:00:00",""
"4133523","7.4795","0.0004","12.5387","0.0007","12.6596","0.0006","71.425","0.005","83.843","0.004","75.99","0.005","1091.35","0.11","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H16 F5 N3 O3 Pd -","- C21 H16 F5 N3 O3 Pd -","- C42 H32 F10 N6 O6 Pd2 -","2","1","","Salamanca, Vanesa; Toledo, Alberto; Albéniz, Ana C","[2,2'-Bipyridin]-6(1 H)-one, a Truly Cooperating Ligand in the Palladium-Mediated C-H Activation Step: Experimental Evidence in the Direct C-3 Arylation of Pyridine.","Journal of the American Chemical Society","2018","140","51","17851","17856","10.1021/jacs.8b10680","","x-ray","0.71073","MoKα","","0.0712","0.0485","","","0.1204","0.1624","","","","","","0.9654","","","","has coordinates","243289","2020-10-21","18:00:00",""
"4133524","7.8072","0.0003","15.7255","0.0006","32.2864","0.0016","90","","90","","90","","3963.9","0.3","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H16 F3 N3 O Pd -","- C22 H16 F3 N3 O Pd -","- C176 H128 F24 N24 O8 Pd8 -","8","1","","Salamanca, Vanesa; Toledo, Alberto; Albéniz, Ana C","[2,2'-Bipyridin]-6(1 H)-one, a Truly Cooperating Ligand in the Palladium-Mediated C-H Activation Step: Experimental Evidence in the Direct C-3 Arylation of Pyridine.","Journal of the American Chemical Society","2018","140","51","17851","17856","10.1021/jacs.8b10680","","x-ray","0.71073","MoKα","","0.0977","0.0512","","","0.0909","0.1122","","","","","","1.065","","","","has coordinates","243289","2020-10-21","18:00:00",""
"4133525","9.6036","0.0005","47.197","0.002","7.3012","0.0004","90","","90","","90","","3309.4","0.3","170","2","170.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 N2 O4 -","- C38 H42 N2 O4 -","- C152 H168 N8 O16 -","4","1","","Zhang, Hong-Hao; Zhao, Jia-Jia; Yu, Shouyun","Enantioselective Allylic Alkylation with 4-Alkyl-1,4-dihydro-pyridines Enabled by Photoredox/Palladium Cocatalysis.","Journal of the American Chemical Society","2018","140","49","16914","16919","10.1021/jacs.8b10766","","","1.34139","GaKα","","0.1524","0.1359","","","0.3285","0.344","","","","","","1.077","","","","has coordinates,has disorder","243290","2020-10-21","18:00:00",""
"4133526","9.5932","0.001","16.8116","0.0017","6.1756","0.0006","90","","90","","90","","995.98","0.17","100","2","100","2","","","","","","","","3","F m m 2","F 2 -2","42","","","","- C14 H11 P -","- C14 H11 P -","- C56 H44 P4 -","4","0.25","","Transue, Wesley J.; Nava, Matthew; Terban, Maxwell W.; Yang, Jing; Greenberg, Matthew W.; Wu, Gang; Foreman, Elizabeth S.; Mustoe, Chantal L.; Kennepohl, Pierre; Owen, Jonathan S.; Billinge, Simon J. L.; Kulik, Heather J.; Cummins, Christopher C.","Anthracene as a Launchpad for a Phosphinidene Sulfide and for Generation of a Phosphorus-Sulfur Material Having the Composition P<sub>2</sub>S, a Vulcanized Red Phosphorus That Is Yellow.","Journal of the American Chemical Society","2019","141","1","431","440","10.1021/jacs.8b10775","","","0.71073","MoKα","","0.0214","0.0214","","","0.0609","0.0609","","","","","","1.226","","","","has coordinates","243291","2020-10-21","18:00:00",""
"4133527","16.375","0.0006","10.7086","0.0004","22.9666","0.0009","90","","100.066","0.002","90","","3965.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H49 O P3 Pt S -","- C44 H49 O P3 Pt S -","- C176 H196 O4 P12 Pt4 S4 -","4","1","","Transue, Wesley J.; Nava, Matthew; Terban, Maxwell W.; Yang, Jing; Greenberg, Matthew W.; Wu, Gang; Foreman, Elizabeth S.; Mustoe, Chantal L.; Kennepohl, Pierre; Owen, Jonathan S.; Billinge, Simon J. L.; Kulik, Heather J.; Cummins, Christopher C.","Anthracene as a Launchpad for a Phosphinidene Sulfide and for Generation of a Phosphorus-Sulfur Material Having the Composition P<sub>2</sub>S, a Vulcanized Red Phosphorus That Is Yellow.","Journal of the American Chemical Society","2019","141","1","431","440","10.1021/jacs.8b10775","","","0.71073","MoKα","","0.0427","0.0394","","","0.0863","0.0879","","","","","","1.07","","","","has coordinates,has disorder","243292","2020-10-21","18:00:00",""
"4133528","8.3118","0.0005","22.2656","0.0012","6.2032","0.0003","90","","90","","90","","1148.01","0.11","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H11 P S -","- C14 H11 P S -","- C56 H44 P4 S4 -","4","1","","Transue, Wesley J.; Nava, Matthew; Terban, Maxwell W.; Yang, Jing; Greenberg, Matthew W.; Wu, Gang; Foreman, Elizabeth S.; Mustoe, Chantal L.; Kennepohl, Pierre; Owen, Jonathan S.; Billinge, Simon J. L.; Kulik, Heather J.; Cummins, Christopher C.","Anthracene as a Launchpad for a Phosphinidene Sulfide and for Generation of a Phosphorus-Sulfur Material Having the Composition P<sub>2</sub>S, a Vulcanized Red Phosphorus That Is Yellow.","Journal of the American Chemical Society","2019","141","1","431","440","10.1021/jacs.8b10775","","","0.71073","MoKα","","0.0288","0.0274","","","0.0666","0.0673","","","","","","1.045","","","","has coordinates","243293","2020-10-21","18:00:00",""
"4133529","7.2267","0.0008","10.4032","0.0012","14.3685","0.0016","90","","96.435","0.002","90","","1073.4","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H24 Br Fe N3 O -","- C23 H24 Br Fe N3 O -","- C46 H48 Br2 Fe2 N6 O2 -","2","1","","Seidl, Frederick J.; Min, Chang; Lopez, Jovan A.; Burns, Noah Z.","Catalytic Regio- and Enantioselective Haloazidation of Allylic Alcohols.","Journal of the American Chemical Society","2018","140","46","15646","15650","10.1021/jacs.8b10799","","","0.71073","MoKα","","0.0287","0.0259","","","0.0597","0.0604","","","","","","1.01","","","","has coordinates","243294","2020-10-21","18:00:00",""
"4133530","7.2168","0.0002","10.3152","0.0003","14.2483","0.0004","90","","95.891","0.002","90","","1055.08","0.05","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl Fe N3 O -","- C23 H24 Cl Fe N3 O -","- C46 H48 Cl2 Fe2 N6 O2 -","2","1","","Seidl, Frederick J.; Min, Chang; Lopez, Jovan A.; Burns, Noah Z.","Catalytic Regio- and Enantioselective Haloazidation of Allylic Alcohols.","Journal of the American Chemical Society","2018","140","46","15646","15650","10.1021/jacs.8b10799","","","1.54184","CuKα","","0.053","0.0427","","","0.084","0.0866","","","","","","0.938","","","","has coordinates","243295","2020-10-21","18:00:00",""
"4133531","9.323","0.0004","15.2792","0.0006","15.3454","0.0006","90","","90","","90","","2185.92","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 O2 -","- C30 H24 O2 -","- C120 H96 O8 -","4","1","","Pizzolato, Stefano F.; Štacko, Peter; Kistemaker, Jos C. M.; van Leeuwen, Thomas; Otten, Edwin; Feringa, Ben L.","Central-to-Helical-to-Axial-to-Central Transfer of Chirality with a Photoresponsive Catalyst.","Journal of the American Chemical Society","2018","140","49","17278","17289","10.1021/jacs.8b10816","","","1.54178","CuKα","","0.0319","0.0299","","","0.071","0.0728","","","","","","1.094","","","","has coordinates","243296","2020-10-21","18:00:00",""
"4133532","15.49","0.005","16.481","0.005","21.309","0.005","90","","90","","90","","5440","3","296","","296","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H66.5 N8 O35 S6 V5 W -","- C14 H54.5 N7 O39 S7 V5 W -","- C56 H218 N28 O156 S28 V20 W4 -","4","1","","Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J.","Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry.","Journal of the American Chemical Society","2018","140","50","17365","17368","10.1021/jacs.8b10866","","","0.71069","MoKα","","0.0405","0.0379","","","0.102","0.1037","","","","","","1.122","","","","has coordinates,has disorder","243297","2020-10-21","18:00:00",""
"4133533","55.536","0.009","55.536","0.009","35.633","0.006","90","","90","","90","","109901","3","292","2","291.99","","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","","","- C240 H120 O313.5 S12 V65 W15 -","- C240 H120 O313.5 S12 V65 W15 -","- C960 H480 O1254 S48 V260 W60 -","4","0.25","","Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J.","Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry.","Journal of the American Chemical Society","2018","140","50","17365","17368","10.1021/jacs.8b10866","","","0.71073","MoKα","","0.2339","0.1694","","","0.4577","0.5044","","","","","","1.198","","","","has coordinates","243297","2020-10-21","18:00:00",""
"4133534","43.2511","0.0016","43.2511","0.0016","39.0469","0.0013","90","","90","","90","","73043","5","173","2","173.02","","","","","","","","","7","P 42/m m c","-P 4c 2","131","","","","- C450 H540 N45 O323.5 S12 V65 W15 -","- C350 O264 V60 W12 -","- C700 O528 V120 W24 -","2","0.125","","Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J.","Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry.","Journal of the American Chemical Society","2018","140","50","17365","17368","10.1021/jacs.8b10866","","x-ray","1.54178","CuKα","","0.13","0.0825","","","0.2223","0.2612","","","","","","1.044","","","","has coordinates","243297","2020-10-21","18:00:00",""
"4133535","51.595","0.005","29.778","0.005","29.872","0.005","90","","110.903","0.005","90","","42875","11","293","2","293","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C268 H412 N44 O316 S16 V60 W12 -","- C220 H208 N20 O316 S16.0002 V60 W12 -","- C440 H416 N40 O632 S32.0004 V120 W24 -","2","0.25","","Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J.","Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry.","Journal of the American Chemical Society","2018","140","50","17365","17368","10.1021/jacs.8b10866","","","0.71069","MoKα","","0.1675","0.0772","","","0.1915","0.244","","","","","","1","","","","has coordinates","243297","2020-10-21","18:00:00",""
"4133536","41.174","0.005","41.174","0.005","53.404","0.014","90","","90","","90","","90536","3","293","2","293","2","","","","","","","","7","P 42/m m c","-P 4c 2","131","","","","- C556 H544 N98 O304 S12 V60 W12 -","- C480 H240 N60 O304 S12 V60 W12 -","- C960 H480 N120 O608 S24 V120 W24 -","2","0.125","","Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J.","Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry.","Journal of the American Chemical Society","2018","140","50","17365","17368","10.1021/jacs.8b10866","","","0.71073","MoKα","","0.3943","0.2105","","","0.4703","0.535","","","","","","1.41","","","","has coordinates","243297","2020-10-21","18:00:00",""
"4133537","41.893","0.003","41.893","0.003","53.783","0.004","90","","90","","90","","94390","12","173","2","173.02","","","","","","","","","7","P 42/m m c","-P 4c 2","131","","","","- C540 H240 N60 O324 S10 V60 W12 -","- C540 H240 N60 O324 S10 V60 W12 -","- C1080 H480 N120 O648 S20 V120 W24 -","2","0.125","","Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J.","Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry.","Journal of the American Chemical Society","2018","140","50","17365","17368","10.1021/jacs.8b10866","","x-ray","1.54178","CuKα","","0.2185","0.1385","","","0.3897","0.4988","","","","","","1.013","","","","has coordinates,has disorder","243297","2020-10-21","18:00:00",""
"4133538","6.6824","0.0004","6.7915","0.0005","19.0741","0.0011","90","","100.083","0.004","90","","852.28","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C38 H46 N2 O8 -","2","1","","Zhou, Yuebiao; Shi, Ying; Torker, Sebastian; Hoveyda, Amir H.","S<sub>N</sub>2″-Selective and Enantioselective Substitution with Unsaturated Organoboron Compounds and Catalyzed by a Sulfonate-Containing NHC-Cu Complex.","Journal of the American Chemical Society","2018","140","48","16842","16854","10.1021/jacs.8b10885","","","1.54178","CuKα","","0.0381","0.0365","","","0.0915","0.0928","","","","","","1.052","","","","has coordinates","243298","2020-10-21","18:00:00",""
"4133539","15.2986","0.0007","23.8567","0.0011","18.6523","0.0009","90","","96.007","0.001","90","","6770.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H105 I N2 O0.5 U -","- C74 H105 I N2 O0.5 U -","- C296 H420 I4 N8 O2 U4 -","4","1","","Billow, Brennan S.; Livesay, Brooke N.; Mokhtarzadeh, Charles C.; McCracken, John; Shores, Matthew P.; Boncella, James M.; Odom, Aaron L.","Synthesis and Characterization of a Neutral U(II) Arene Sandwich Complex.","Journal of the American Chemical Society","2018","140","50","17369","17373","10.1021/jacs.8b10888","","","0.71073","MoKα","","0.0401","0.0268","","","0.0552","0.0593","","","","","","1.011","","","","has coordinates,has disorder","243299","2020-10-21","18:00:00",""
"4133540","18.0536","0.0013","16.8949","0.0012","22.7572","0.0016","90","","106.972","0.001","90","","6639","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H108 N2 O U -","- C76 H108 N2 O U -","- C304 H432 N8 O4 U4 -","4","0.5","","Billow, Brennan S.; Livesay, Brooke N.; Mokhtarzadeh, Charles C.; McCracken, John; Shores, Matthew P.; Boncella, James M.; Odom, Aaron L.","Synthesis and Characterization of a Neutral U(II) Arene Sandwich Complex.","Journal of the American Chemical Society","2018","140","50","17369","17373","10.1021/jacs.8b10888","","","0.71073","MoKα","","0.0317","0.0274","","","0.0686","0.0708","","","","","","1.07","","","","has coordinates,has disorder","243299","2020-10-21","18:00:00",""
"4133541","14.7775","0.0002","16.4035","0.0002","41.8881","0.0006","90","","90.893","0.001","90","","10152.6","0.2","172.98","","172.98","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C105 H114.5 B F24 N2 O0.25 U -","- C105 H114.5 B F23.9997 N2 O0.25 U -","- C420 H458 B4 F95.9988 N8 O U4 -","4","1","","Billow, Brennan S.; Livesay, Brooke N.; Mokhtarzadeh, Charles C.; McCracken, John; Shores, Matthew P.; Boncella, James M.; Odom, Aaron L.","Synthesis and Characterization of a Neutral U(II) Arene Sandwich Complex.","Journal of the American Chemical Society","2018","140","50","17369","17373","10.1021/jacs.8b10888","","","1.54178","CuKα","","0.0954","0.0572","","","0.1242","0.1415","","","","","","1.014","","","","has coordinates,has disorder","243299","2020-10-21","18:00:00",""
"4133542","13.3008","0.0015","15.0013","0.0017","36.19","0.004","90","","94.323","0.001","90","","7200.4","1.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H114 I N2 U -","- C78 H114 I N2 U -","- C312 H456 I4 N8 U4 -","4","1","","Billow, Brennan S.; Livesay, Brooke N.; Mokhtarzadeh, Charles C.; McCracken, John; Shores, Matthew P.; Boncella, James M.; Odom, Aaron L.","Synthesis and Characterization of a Neutral U(II) Arene Sandwich Complex.","Journal of the American Chemical Society","2018","140","50","17369","17373","10.1021/jacs.8b10888","","","0.71073","MoKα","","0.0464","0.0344","","","0.077","0.0813","","","","","","1.035","","","","has coordinates","243299","2020-10-21","18:00:00",""
"4133543","6.608","0.0003","9.8783","0.0004","38.8492","0.0014","90","","90","","90","","2535.91","0.18","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O6 Si -","- C25 H38 O6 Si -","- C100 H152 O24 Si4 -","4","1","","Economou, Christos; Tomanik, Martin; Herzon, Seth B.","Synthesis of Myrocin G, the Putative Active Form of the Myrocin Antitumor Antibiotics.","Journal of the American Chemical Society","2018","140","47","16058","16061","10.1021/jacs.8b10891","","","1.54184","CuKα","","0.0629","0.0499","","","0.1041","0.1108","","","","","","1.088","","","","has coordinates","243300","2020-10-21","18:00:00",""
"4133544","9.67683","0.00019","11.05812","0.00017","20.5604","0.0005","90","","90","","90","","2200.12","0.08","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C104 H104 N8 O16 -","8","1","","Verbraeken, Bart; Hullaert, Jan; van Guyse, Joachim; Van Hecke, Kristof; Winne, Johan; Hoogenboom, Richard","The Elusive Seven-Membered Cyclic Imino Ether Tetrahydrooxazepine.","Journal of the American Chemical Society","2018","140","50","17404","17408","10.1021/jacs.8b10918","","x-ray","1.54184","CuKα","","0.0573","0.0461","","","0.1144","0.1223","","","","","","1.082","","","","has coordinates","243301","2020-10-21","18:00:00",""
"4133545","6.45","0.00012","10.41727","0.00014","14.8501","0.0002","90","","99.2411","0.0017","90","","984.85","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H13 N O S -","- C10 H13 N O S -","- C40 H52 N4 O4 S4 -","4","2","","Verbraeken, Bart; Hullaert, Jan; van Guyse, Joachim; Van Hecke, Kristof; Winne, Johan; Hoogenboom, Richard","The Elusive Seven-Membered Cyclic Imino Ether Tetrahydrooxazepine.","Journal of the American Chemical Society","2018","140","50","17404","17408","10.1021/jacs.8b10918","","x-ray","1.54184","CuKα","","0.0294","0.0278","","","0.0742","0.0755","","","","","","1.055","","","","has coordinates","243302","2020-10-21","18:00:00",""
"4133546","11.49513","0.00016","7.96423","0.0001","10.68229","0.00019","90","","109.079","0.0017","90","","924.24","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O -","- C11 H13 N O -","- C44 H52 N4 O4 -","4","1","","Verbraeken, Bart; Hullaert, Jan; van Guyse, Joachim; Van Hecke, Kristof; Winne, Johan; Hoogenboom, Richard","The Elusive Seven-Membered Cyclic Imino Ether Tetrahydrooxazepine.","Journal of the American Chemical Society","2018","140","50","17404","17408","10.1021/jacs.8b10918","","x-ray","1.54184","CuKα","","0.0376","0.0355","","","0.0928","0.095","","","","","","1.063","","","","has coordinates","243303","2020-10-21","18:00:00",""
"4133547","10.3858","0.0004","11.1289","0.0005","17.4363","0.0008","90","","90","","90","","2015.33","0.15","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br Cl N2 O3 -","- C20 H16 Br Cl N2 O3 -","- C80 H64 Br4 Cl4 N8 O12 -","4","1","","Xiong, Yang; Du, Zhuanzhuan; Chen, Haohua; Yang, Zhao; Tan, Qiuyuan; Zhang, Changhui; Zhu, Lei; Lan, Yu; Zhang, Min","Well-Designed Phosphine-Urea Ligand for Highly Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition of Methacrylonitrile: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2019","141","2","961","971","10.1021/jacs.8b10939","","","0.71073","MoKα","","0.0832","0.0501","","","0.1056","0.1272","","","","","","1.025","","","","has coordinates","243304","2020-10-21","18:00:00",""
"4133548","9.133","0.0004","12.6163","0.0004","10.2204","0.0003","90","","113.676","0.004","90","","1078.52","0.07","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H21 Br N2 O4 S -","- C21 H21 Br N2 O4 S -","- C42 H42 Br2 N4 O8 S2 -","2","1","","Xiong, Yang; Du, Zhuanzhuan; Chen, Haohua; Yang, Zhao; Tan, Qiuyuan; Zhang, Changhui; Zhu, Lei; Lan, Yu; Zhang, Min","Well-Designed Phosphine-Urea Ligand for Highly Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition of Methacrylonitrile: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2019","141","2","961","971","10.1021/jacs.8b10939","","","0.71073","MoKα","","0.0518","0.0396","","","0.086","0.093","","","","","","1.066","","","","has coordinates","243305","2020-10-21","18:00:00",""
"4133549","9.3729","0.0006","11.919","0.0013","15.7115","0.0012","90","","90.581","0.007","90","","1755.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","2","","Xiong, Yang; Du, Zhuanzhuan; Chen, Haohua; Yang, Zhao; Tan, Qiuyuan; Zhang, Changhui; Zhu, Lei; Lan, Yu; Zhang, Min","Well-Designed Phosphine-Urea Ligand for Highly Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition of Methacrylonitrile: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2019","141","2","961","971","10.1021/jacs.8b10939","","","0.71073","MoKα","","0.1206","0.0821","","","0.1994","0.2303","","","","","","1.049","","","","has coordinates","243306","2020-10-21","18:00:00",""
"4133550","10.4672","0.0006","5.745","0.0003","11.4377","0.0007","90","","110.754","0.007","90","","643.16","0.07","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H13 Br N2 O2 -","- C13 H13 Br N2 O2 -","- C26 H26 Br2 N4 O4 -","2","1","","Xiong, Yang; Du, Zhuanzhuan; Chen, Haohua; Yang, Zhao; Tan, Qiuyuan; Zhang, Changhui; Zhu, Lei; Lan, Yu; Zhang, Min","Well-Designed Phosphine-Urea Ligand for Highly Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition of Methacrylonitrile: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2019","141","2","961","971","10.1021/jacs.8b10939","","","0.71073","MoKα","","0.08","0.0454","","","0.0861","0.0995","","","","","","1.03","","","","has coordinates","243307","2020-10-21","18:00:00",""
"4133551","10.3489","0.0003","6.3912","0.0003","11.1677","0.0004","90","","94.707","0.003","90","","736.16","0.05","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 Br N2 O2 -","- C14 H15 Br N2 O2 -","- C28 H30 Br2 N4 O4 -","2","1","","Xiong, Yang; Du, Zhuanzhuan; Chen, Haohua; Yang, Zhao; Tan, Qiuyuan; Zhang, Changhui; Zhu, Lei; Lan, Yu; Zhang, Min","Well-Designed Phosphine-Urea Ligand for Highly Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition of Methacrylonitrile: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2019","141","2","961","971","10.1021/jacs.8b10939","","","0.71073","MoKα","","0.0825","0.053","","","0.1168","0.1324","","","","","","1.029","","","","has coordinates,has disorder","243308","2020-10-21","18:00:00",""
"4133552","44.655","0.01","44.655","","44.655","","90","","90","","90","","89045","2","100","","100","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C84 H36 O32 Zr6 -","- C84 H36 O32 Zr6 -","- C1344 H576 O512 Zr96 -","16","0.0833333","","Qin, Jun-Sheng; Yuan, Shuai; Zhang, Lei; Li, Bao; Du, Dong-Ying; Huang, Ning; Guan, Wei; Drake, Hannah F.; Pang, Jiandong; Lan, Ya-Qian; Alsalme, Ali; Zhou, Hong-Cai","Creating Well-Defined Hexabenzocoronene in Zirconium Metal-Organic Framework by Postsynthetic Annulation.","Journal of the American Chemical Society","2019","141","5","2054","2060","10.1021/jacs.8b11042","","x-ray","1.54184","CuKα","","0.1856","0.1625","","","0.4203","0.4359","","","","","","1.744","","","","has coordinates","243309","2020-10-21","18:00:00",""
"4133553","22.7496","0.0003","22.7496","0.0003","22.7496","0.0003","90","","90","","90","","11773.9","0.3","100","","100","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","ZrTpmC*-CuI Metal-Organic Framework","- C206.85 Cu4.8 I4.8 N48 O157.62 Zr18 -","- C206.852 Cu4.8 I4.8 N48 O157.616 Zr18 -","- C206.852 Cu4.8 I4.8 N48 O157.616 Zr18 -","1","0.0208333","","Sun, Chenyue; Skorupskii, Grigorii; Dou, Jin-Hu; Wright, Ashley M.; Dincă, Mircea","Reversible Metalation and Catalysis with a Scorpionate-like Metallo-ligand in a Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","50","17394","17398","10.1021/jacs.8b11085","","x-ray","0.412747","synchrotron","","","","","","","","","","3.385","","","","","","","has coordinates","243310","2020-10-21","18:00:00",""
"4133554","7.7628","0.0004","9.63","0.0004","16.0084","0.0006","84.37","0.003","88.502","0.004","70.429","0.004","1122.11","0.09","93.15","","93.15","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 N O3 -","- C28 H33 N O3 -","- C56 H66 N2 O6 -","2","1","","Okamoto, Yuta; Tanioka, Masaru; Muranaka, Atsuya; Miyamoto, Kazunori; Aoyama, Tetsuya; Ouyang, Xingmei; Kamino, Shinichiro; Sawada, Daisuke; Uchiyama, Masanobu","Stable Thiele's Hydrocarbon Derivatives Exhibiting Near-Infrared Absorption/Emission and Two-Step Electrochromism.","Journal of the American Chemical Society","2018","140","51","17857","17861","10.1021/jacs.8b11092","","x-ray","1.54184","CuKα","","0.0888","0.075","","","0.1959","0.2082","","","","","","1.039","","","","has coordinates","243311","2020-10-21","18:00:00",""
"4133555","7.7432","0.0003","9.6665","0.0004","16.3637","0.0009","84.384","0.004","76.739","0.004","71.034","0.004","1127.08","0.09","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H66 N2 O4 -","- C58 H66 N2 O4 -","- C58 H66 N2 O4 -","1","0.5","","Okamoto, Yuta; Tanioka, Masaru; Muranaka, Atsuya; Miyamoto, Kazunori; Aoyama, Tetsuya; Ouyang, Xingmei; Kamino, Shinichiro; Sawada, Daisuke; Uchiyama, Masanobu","Stable Thiele's Hydrocarbon Derivatives Exhibiting Near-Infrared Absorption/Emission and Two-Step Electrochromism.","Journal of the American Chemical Society","2018","140","51","17857","17861","10.1021/jacs.8b11092","","","1.54184","CuKα","","0.0757","0.0655","","","0.1701","0.1792","","","","","","1.044","","","","has coordinates,has disorder","243312","2020-10-21","18:00:00",""
"4133556","10.729","0.002","20.345","0.004","16.436","0.003","90","","90.71","0.03","90","","3587.4","1.2","120","","120","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C36 H45 Li N8 Si0.97 -","- C36 H45 Li N8 Si0.9685 -","- C144 H180 Li4 N32 Si3.874 -","4","2","","Ebner, Fabian; Greb, Lutz","Calix[4]pyrrole Hydridosilicate: The Elusive Planar Tetracoordinate Silicon Imparts Striking Stability to Its Anionic Silicon Hydride.","Journal of the American Chemical Society","2018","140","50","17409","17412","10.1021/jacs.8b11137","","","0.71073","MoKα","","0.1132","0.0543","","","0.0968","0.1157","","","","","","1.006","","","","has coordinates,has disorder","243313","2020-10-21","18:00:00",""
"4133557","9.009","0.0018","13.671","0.003","11.931","0.002","90","","108.59","0.03","90","","1392.8","0.5","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H34 Cl2 K N4 Si -","- C29 H34 Cl2 K N4 Si -","- C58 H68 Cl4 K2 N8 Si2 -","2","1","","Ebner, Fabian; Greb, Lutz","Calix[4]pyrrole Hydridosilicate: The Elusive Planar Tetracoordinate Silicon Imparts Striking Stability to Its Anionic Silicon Hydride.","Journal of the American Chemical Society","2018","140","50","17409","17412","10.1021/jacs.8b11137","","","0.71073","MoKα","","0.1427","0.065","","","0.1177","0.1454","","","","","","1.015","","","","has coordinates","243314","2020-10-21","18:00:00",""
"4133558","5.9083","0.0009","13.523","0.002","21.616","0.003","90","","90","","90","","1727.1","0.4","88","2","88","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 O P -","- C20 H25 O P -","- C80 H100 O4 P4 -","4","1","","Nie, Shao-Zhen; Davison, Ryan T.; Dong, Vy M.","Enantioselective Coupling of Dienes and Phosphine Oxides.","Journal of the American Chemical Society","2018","140","48","16450","16454","10.1021/jacs.8b11150","","","0.71073","MoKα","","0.0253","0.0246","","","0.0671","0.0678","","","","","","1.034","","","","has coordinates","243315","2020-10-21","18:00:00",""
"4133559","32.5147","0.0006","32.5147","0.0006","37.7674","0.0008","90","","90","","90","","39927.9","1.3","150","0.1","150","0.1","","","","","","","","8","I 4 2 2","I 4 2","97","","","","- C508.8 H317.76 B16 F64 Fe8 N120 O7.68 Pd6 -","- C508.8 H317.76 B16 F64 Fe8 N120 O7.68 Pd6 -","- C1017.6 H635.52 B32 F128 Fe16 N240 O15.36 Pd12 -","2","0.125","","Hou, Ya-Jun; Wu, Kai; Wei, Zhang-Wen; Li, Kang; Lu, Yu-Lin; Zhu, Cheng-Yi; Wang, Jing-Si; Pan, Mei; Jiang, Ji-Jun; Li, Guang-Qin; Su, Cheng-Yong","Design and Enantioresolution of Homochiral Fe(II)-Pd(II) Coordination Cages from Stereolabile Metalloligands: Stereochemical Stability and Enantioselective Separation.","Journal of the American Chemical Society","2018","140","51","18183","18191","10.1021/jacs.8b11152","","","1.54184","CuKα","","0.0883","0.0624","","","0.1669","0.1808","","","","","","0.88","","","","has coordinates","243316","2020-10-21","18:00:00",""
"4133560","32.3616","0.0012","32.3616","0.0012","37.4948","0.0019","90","","90","","90","","39267","3","150","0.1","150","0.1","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C488 H303.2 Fe8 N120 O5.6 Pd6 -","- C488 H303.2 Fe8 N120 O5.6 Pd6 -","- C976 H606.4 Fe16 N240 O11.2 Pd12 -","2","0.125","","Hou, Ya-Jun; Wu, Kai; Wei, Zhang-Wen; Li, Kang; Lu, Yu-Lin; Zhu, Cheng-Yi; Wang, Jing-Si; Pan, Mei; Jiang, Ji-Jun; Li, Guang-Qin; Su, Cheng-Yong","Design and Enantioresolution of Homochiral Fe(II)-Pd(II) Coordination Cages from Stereolabile Metalloligands: Stereochemical Stability and Enantioselective Separation.","Journal of the American Chemical Society","2018","140","51","18183","18191","10.1021/jacs.8b11152","","","1.54184","CuKα","","0.1755","0.1029","","","0.2742","0.3318","","","","","","0.932","","","","has coordinates","243317","2020-10-21","18:00:00",""
"4133561","12.3928","0.0006","15.6251","0.0007","18.2747","0.0009","82.203","0.004","81.506","0.004","76.519","0.004","3384.5","0.3","127.6","","127.6","","","","","","","","","6","P -1","-P 1","2","","","","- C126 H139 Br20 I N2 O20 -","- C126 H139 Br20 I N2 O20 -","- C126 H139 Br20 I N2 O20 -","1","0.5","","Hua, Bin; Zhou, Wei; Yang, Zhaoliang; Zhang, Zhihua; Shao, Li; Zhu, Haiming; Huang, Feihe","Supramolecular Solid-State Microlaser Constructed from Pillar[5]arene-Based Host-Guest Complex Microcrystals.","Journal of the American Chemical Society","2018","140","46","15651","15654","10.1021/jacs.8b11156","","","0.71073","MoKα","","0.1271","0.0757","","","0.1686","0.2031","","","","","","1.035","","","","has coordinates,has disorder","243318","2020-10-21","18:00:00",""
"4133562","29.325","0.003","18.3887","0.0007","37.359","0.003","90","","111.838","0.01","90","","18700","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C192 H132 F20 N8 -","- C192 H132 F20 N8 -","- C768 H528 F80 N32 -","4","1","","Ke, Xian-Sheng; Kim, Taeyeon; He, Qing; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Three-Dimensional Fully Conjugated Carbaporphyrin Cage.","Journal of the American Chemical Society","2018","140","48","16455","16459","10.1021/jacs.8b11158","","","1.54184","CuKα","","0.1795","0.0919","","","0.2145","0.2898","","","","","","0.946","","","","has coordinates","243319","2020-10-21","18:00:00",""
"4133563","40.02","0.001","14.0404","0.0003","43.5179","0.0009","90","","111.986","0.003","90","","22674.3","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C208 H136 F44 N8 O16 -","- C208 H136 F44 N8 O16 -","- C832 H544 F176 N32 O64 -","4","1","","Ke, Xian-Sheng; Kim, Taeyeon; He, Qing; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Three-Dimensional Fully Conjugated Carbaporphyrin Cage.","Journal of the American Chemical Society","2018","140","48","16455","16459","10.1021/jacs.8b11158","","","1.54184","CuKα","","0.1301","0.1032","","","0.2978","0.3306","","","","","","1.033","","","","has coordinates,has disorder","243320","2020-10-21","18:00:00",""
"4133564","16.199","0.004","13.062","0.003","23.636","0.006","90","","96.243","0.007","90","","4972","2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H75 N3 P2 Zr -","- C49 H75 N3 P2 Zr -","- C196 H300 N12 P8 Zr4 -","4","1","","Grant, Lauren N.; Pinter, Balazs; Gu, Jun; Mindiola, Daniel J.","Molecular Zirconium Nitride Super Base from a Mononuclear Parent Imide.","Journal of the American Chemical Society","2018","140","50","17399","17403","10.1021/jacs.8b11198","","","0.71073","MoKα","","0.0634","0.0477","","","0.1294","0.1415","","","","","","1.081","","","","has coordinates,has disorder","243321","2020-10-21","18:00:00",""
"4133565","17.0256","0.0008","15.8891","0.0007","32.2683","0.0015","90","","90","","90","","8729.3","0.7","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H62 N8 P2 Zr -","- C44 H62 N8 P2 Zr -","- C352 H496 N64 P16 Zr8 -","8","1","","Grant, Lauren N.; Pinter, Balazs; Gu, Jun; Mindiola, Daniel J.","Molecular Zirconium Nitride Super Base from a Mononuclear Parent Imide.","Journal of the American Chemical Society","2018","140","50","17399","17403","10.1021/jacs.8b11198","","","0.71073","MoKα","","0.1009","0.0556","","","0.0985","0.1143","","","","","","1.062","","","","has coordinates,has disorder","243322","2020-10-21","18:00:00",""
"4133566","14.569","0.002","14.569","0.002","27.444","0.004","90","","90","","90","","5825.1","1.4","100","2","100","","","","","","","","","7","P 42 21 2","P 4n 2n","94","","","","- C124 H172 Li2 N6 O2 P4 Zr2 -","- C124 H172 Li2 N6 O2 P4 Zr2 -","- C248 H344 Li4 N12 O4 P8 Zr4 -","2","0.25","","Grant, Lauren N.; Pinter, Balazs; Gu, Jun; Mindiola, Daniel J.","Molecular Zirconium Nitride Super Base from a Mononuclear Parent Imide.","Journal of the American Chemical Society","2018","140","50","17399","17403","10.1021/jacs.8b11198","","","0.71073","MoKα","","0.0315","0.028","","","0.0643","0.0659","","","","","","1.066","","","","has coordinates,has disorder","243323","2020-10-21","18:00:00",""
"4133567","30.418","0.003","31.784","0.003","12.38","0.0012","90","","90","","90","","11969","2","100","2","99.99","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C62.5 H42.5 Cl1.5 N6 O12 -","- C62.5 H42.5 Cl1.5 N6 O12 -","- C500 H340 Cl12 N48 O96 -","8","2","","Mohan Nalluri, Siva Krishna; Zhou, Jiawang; Cheng, Tao; Liu, Zhichang; Nguyen, Minh T.; Chen, Tianyang; Patel, Hasmukh A.; Krzyaniak, Matthew D.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Discrete Dimers of Redox-Active and Fluorescent Perylene Diimide-Based Rigid Isosceles Triangles in the Solid State.","Journal of the American Chemical Society","2019","141","3","1290","1303","10.1021/jacs.8b11201","","","1.54178","CuKα","","0.0654","0.0578","","","0.1663","0.1756","","","","","","1.066","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4133568","30.3071","0.0018","32.069","0.002","12.6054","0.0008","90","","90","","90","","12251.4","1.3","100","2","99.99","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C62 H42 N6 O12 -","- C62 H42 N6 O12 -","- C496 H336 N48 O96 -","8","2","","Mohan Nalluri, Siva Krishna; Zhou, Jiawang; Cheng, Tao; Liu, Zhichang; Nguyen, Minh T.; Chen, Tianyang; Patel, Hasmukh A.; Krzyaniak, Matthew D.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Discrete Dimers of Redox-Active and Fluorescent Perylene Diimide-Based Rigid Isosceles Triangles in the Solid State.","Journal of the American Chemical Society","2019","141","3","1290","1303","10.1021/jacs.8b11201","","","1.54178","CuKα","","0.2166","0.1129","","","0.241","0.3309","","","","","","1.122","","","","has coordinates","243325","2020-10-21","18:00:00",""
"4133569","43.1347","0.0012","14.6175","0.0004","24.2886","0.0006","90","","102.937","0.0016","90","","14925.8","0.7","100","2","99.99","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72.5 H48.5 Cl7.5 N6 O12 -","- C72.5 H48.5 Cl7.5 N6 O12 -","- C580 H388 Cl60 N48 O96 -","8","2","","Mohan Nalluri, Siva Krishna; Zhou, Jiawang; Cheng, Tao; Liu, Zhichang; Nguyen, Minh T.; Chen, Tianyang; Patel, Hasmukh A.; Krzyaniak, Matthew D.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Discrete Dimers of Redox-Active and Fluorescent Perylene Diimide-Based Rigid Isosceles Triangles in the Solid State.","Journal of the American Chemical Society","2019","141","3","1290","1303","10.1021/jacs.8b11201","","","1.54178","CuKα","","0.0878","0.0634","","","0.1585","0.1753","","","","","","0.979","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4133570","30.1044","0.0009","31.9984","0.001","12.4179","0.0004","90","","90","","90","","11962.1","0.6","100","2","99.99","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C131.3 H100.6 Cl1.3 N12 O24 -","- C131.3 H100.6 Cl1.3 N12 O24 -","- C525.2 H402.4 Cl5.2 N48 O96 -","4","1","","Mohan Nalluri, Siva Krishna; Zhou, Jiawang; Cheng, Tao; Liu, Zhichang; Nguyen, Minh T.; Chen, Tianyang; Patel, Hasmukh A.; Krzyaniak, Matthew D.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Discrete Dimers of Redox-Active and Fluorescent Perylene Diimide-Based Rigid Isosceles Triangles in the Solid State.","Journal of the American Chemical Society","2019","141","3","1290","1303","10.1021/jacs.8b11201","","","1.54178","CuKα","","0.0701","0.0611","","","0.1617","0.1685","","","","","","1.014","","","","has coordinates","243327","2020-10-21","18:00:00",""
"4133571","12.85953","0.00027","8.3632","0.00015","14.53708","0.00024","90","","71.2596","0.0088","90","","1480.53","0.09","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K2Rubrene","","- C42 H28 K2 -","- C42 H28 K2 -","- C84 H56 K4 -","2","0.5","","Zhang, Jiliang; Whitehead, George F. S.; Manning, Troy D.; Stewart, David; Hiley, Craig I.; Pitcher, Michael J.; Jansat, Susanna; Prassides, Kosmas; Rosseinsky, Matthew J.","Reactivity of Solid Rubrene with Potassium: Competition between Intercalation and Molecular Decomposition.","Journal of the American Chemical Society","2018","140","51","18162","18172","10.1021/jacs.8b11231","powder diffraction","x-ray","0.825865","","","","","","","","","","","4.84","","","","","","","has coordinates","243328","2020-10-21","18:00:00",""
"4133572","13.0398","0.0004","11.6254","0.0003","18.7191","0.0006","90","","108.991","0.004","90","","2683.23","0.15","100","","100","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26.16 -","- C42 H26.16 -","- C168 H104.64 -","4","1","","Zhang, Jiliang; Whitehead, George F. S.; Manning, Troy D.; Stewart, David; Hiley, Craig I.; Pitcher, Michael J.; Jansat, Susanna; Prassides, Kosmas; Rosseinsky, Matthew J.","Reactivity of Solid Rubrene with Potassium: Competition between Intercalation and Molecular Decomposition.","Journal of the American Chemical Society","2018","140","51","18162","18172","10.1021/jacs.8b11231","","x-ray","0.71073","MoKα","","0.081","0.0558","","","0.1265","0.1394","","","","","","1.042","","","","has coordinates,has disorder","243329","2020-10-21","18:00:00",""
"4133573","28.293","0.003","12.726","0.0016","33.847","0.004","90","","90","","90","","12187","2","100","2","100.01","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C114 H169 Cl6 N19 Ni4 -","- C114 H169 Cl6 N19 Ni4 -","- C456 H676 Cl24 N76 Ni16 -","4","1","","Sun, Rui; Qin, Yangzhong; Ruccolo, Serge; Schnedermann, Christoph; Costentin, Cyrille; Daniel G Nocera, ?","Elucidation of a Redox-Mediated Reaction Cycle for Nickel-Catalyzed Cross Coupling.","Journal of the American Chemical Society","2019","141","1","89","93","10.1021/jacs.8b11262","","","0.71073","MoKα","","0.0832","0.06","","","0.1334","0.1421","","","","","","1.095","","","","has coordinates,has disorder","243330","2020-10-21","18:00:00",""
"4133574","16.2359","0.0003","16.4096","0.0003","17.4876","0.0003","90","","111.339","0.002","90","","4339.71","0.15","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H73 Fe N P2 Si -","- C42 H73 Fe N P2 Si -","- C168 H292 Fe4 N4 P8 Si4 -","4","1","","Ott, Jonas C.; Wadepohl, Hubert; Enders, Markus; Gade, Lutz H.","Taking Solution Proton NMR to Its Extreme: Prediction and Detection of a Hydride Resonance in an Intermediate-Spin Iron Complex.","Journal of the American Chemical Society","2018","140","50","17413","17417","10.1021/jacs.8b11330","","x-ray","0.71073","MoKα","","0.0969","0.0541","","","0.1044","0.1186","","","","","","1.022","","","","has coordinates","243331","2020-10-21","18:00:00",""
"4133575","23.62428","0.00011","23.62428","0.00011","15.31409","0.00013","90","","90","","90","","8546.89","0.09","120","1","120","1","","","","","","","","5","I -4","I -4","82","","","","- C45 H69 Fe N P2 -","- C45 H69 Fe N P2 -","- C360 H552 Fe8 N8 P16 -","8","1","","Ott, Jonas C.; Wadepohl, Hubert; Enders, Markus; Gade, Lutz H.","Taking Solution Proton NMR to Its Extreme: Prediction and Detection of a Hydride Resonance in an Intermediate-Spin Iron Complex.","Journal of the American Chemical Society","2018","140","50","17413","17417","10.1021/jacs.8b11330","","x-ray","1.54184","CuKα","","0.0419","0.0395","","","0.1095","0.1119","","","","","","1.069","","","","has coordinates,has disorder","243331","2020-10-21","18:00:00",""
"4133576","25.6211","0.0003","13.0431","0.0002","47.8048","0.0007","90","","102.544","0.0013","90","","15594","0.4","120","1","120","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C39.25 H66 Fe N P2 -","- C38 H63 Fe N P2 -","- C608 H1008 Fe16 N16 P32 -","16","4","","Ott, Jonas C.; Wadepohl, Hubert; Enders, Markus; Gade, Lutz H.","Taking Solution Proton NMR to Its Extreme: Prediction and Detection of a Hydride Resonance in an Intermediate-Spin Iron Complex.","Journal of the American Chemical Society","2018","140","50","17413","17417","10.1021/jacs.8b11330","","x-ray","1.54184","CuKα","","0.0734","0.0522","","","0.1121","0.1203","","","","","","1.019","","","","has coordinates","243331","2020-10-21","18:00:00",""
"4133577","15.8118","0.0009","14.5805","0.0008","17.8689","0.001","90","","97.245","0.004","90","","4086.7","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H112 B2 Co2 N4 S2 -","- C104 H112 B2 Co2 N4 S2 -","- C208 H224 B4 Co4 N8 S4 -","2","0.5","","Zhu, Congzhi; Ji, Xiaozhou; You, Di; Chen, Teresa L.; Mu, Anthony U.; Barker, Kayla P.; Klivansky, Liana M.; Liu, Yi; Fang, Lei","Extraordinary Redox Activities in Ladder-Type Conjugated Molecules Enabled by B ←N Coordination-Promoted Delocalization and Hyperconjugation.","Journal of the American Chemical Society","2018","140","51","18173","18182","10.1021/jacs.8b11337","","","1.54178","CuKα","","0.1268","0.1008","","","0.1696","0.185","","","","","","1.402","","","","has coordinates","243332","2020-10-21","18:00:00",""
"4133578","10.3742","0.0003","20.3276","0.0005","14.6088","0.0004","90","","105.28","0.001","90","","2971.84","0.14","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H54 B2 Cl6 N4 S2 -","- C66 H54 B2 Cl6 N4 S2 -","- C132 H108 B4 Cl12 N8 S4 -","2","0.5","","Zhu, Congzhi; Ji, Xiaozhou; You, Di; Chen, Teresa L.; Mu, Anthony U.; Barker, Kayla P.; Klivansky, Liana M.; Liu, Yi; Fang, Lei","Extraordinary Redox Activities in Ladder-Type Conjugated Molecules Enabled by B ←N Coordination-Promoted Delocalization and Hyperconjugation.","Journal of the American Chemical Society","2018","140","51","18173","18182","10.1021/jacs.8b11337","","","1.54178","CuKα","","0.0604","0.0545","","","0.1519","0.1577","","","","","","1.075","","","","has coordinates,has disorder","243333","2020-10-21","18:00:00",""
"4133579","23.9213","0.0009","17.921","0.0007","32.1974","0.0013","90","","90","","90","","13802.8","0.9","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C70.75 H67.5 B2 Cl9.5 N4 S2 Sb -","- C70.75 H67.5 B2 Cl9.5 N4 S2 Sb -","- C566 H540 B16 Cl76 N32 S16 Sb8 -","8","1","","Zhu, Congzhi; Ji, Xiaozhou; You, Di; Chen, Teresa L.; Mu, Anthony U.; Barker, Kayla P.; Klivansky, Liana M.; Liu, Yi; Fang, Lei","Extraordinary Redox Activities in Ladder-Type Conjugated Molecules Enabled by B ←N Coordination-Promoted Delocalization and Hyperconjugation.","Journal of the American Chemical Society","2018","140","51","18173","18182","10.1021/jacs.8b11337","","","1.54178","CuKα","","0.1131","0.0921","","","0.1843","0.196","","","","","","1.09","","","","has coordinates,has disorder","243334","2020-10-21","18:00:00",""
"4133580","17.6886","0.0003","14.3121","0.0002","19.8456","0.0002","90","","90","","90","","5024.13","0.12","150","2","150","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C50 H66 N4 Ni Si2 -","- C50 H66 N4 Ni Si2 -","- C200 H264 N16 Ni4 Si8 -","4","0.5","","Kostenko, Arseni; Driess, Matthias","Geometrically Compelled Disilene with λ<sup>4</sup>-Coordinate Si<sup>II</sup> Atoms.","Journal of the American Chemical Society","2018","140","49","16962","16966","10.1021/jacs.8b11393","","","1.54184","CuKα","","0.065","0.0513","","","0.1229","0.1347","","","","","","1.033","","","","has coordinates,has disorder","243335","2020-10-21","18:00:00",""
"4133581","14.768","0.0005","10.4696","0.0004","25.1558","0.0008","90","","98.675","0.003","90","","3845","0.2","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H54 N4 O2 Si2 -","- C42 H54 N4 O2 Si2 -","- C168 H216 N16 O8 Si8 -","4","0.5","","Kostenko, Arseni; Driess, Matthias","Geometrically Compelled Disilene with λ<sup>4</sup>-Coordinate Si<sup>II</sup> Atoms.","Journal of the American Chemical Society","2018","140","49","16962","16966","10.1021/jacs.8b11393","","","1.54184","CuKα","","0.0755","0.0471","","","0.1088","0.1244","","","","","","1.004","","","","has coordinates","243336","2020-10-21","18:00:00",""
"4133582","12.6253","0.0004","12.9455","0.0005","16.4249","0.0005","83.107","0.003","84.228","0.003","66.911","0.003","2447.4","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C55 H64 N4 O Si2 -","- C55 H64 N4 O Si2 -","- C110 H128 N8 O2 Si4 -","2","1","","Kostenko, Arseni; Driess, Matthias","Geometrically Compelled Disilene with λ<sup>4</sup>-Coordinate Si<sup>II</sup> Atoms.","Journal of the American Chemical Society","2018","140","49","16962","16966","10.1021/jacs.8b11393","","","1.54184","CuKα","","0.0454","0.0374","","","0.096","0.1021","","","","","","1.03","","","","has coordinates","243337","2020-10-21","18:00:00",""
"4133583","14.12662","0.00014","10.49281","0.00011","25.5869","0.0003","90","","94.5089","0.0009","90","","3780.96","0.07","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H54 N4 Si2 -","- C42 H54 N4 Si2 -","- C168 H216 N16 Si8 -","4","0.5","","Kostenko, Arseni; Driess, Matthias","Geometrically Compelled Disilene with λ<sup>4</sup>-Coordinate Si<sup>II</sup> Atoms.","Journal of the American Chemical Society","2018","140","49","16962","16966","10.1021/jacs.8b11393","","","1.54184","CuKα","","0.037","0.0351","","","0.0985","0.1005","","","","","","1.085","","","","has coordinates","243338","2020-10-21","18:00:00",""
"4133584","9.1557","0.0014","35.74","0.004","12.4628","0.0019","90","","96.968","0.013","90","","4048","1","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H58 N4 Si2 -","- C44 H58 N4 Si2 -","- C176 H232 N16 Si8 -","4","1","","Kostenko, Arseni; Driess, Matthias","Geometrically Compelled Disilene with λ<sup>4</sup>-Coordinate Si<sup>II</sup> Atoms.","Journal of the American Chemical Society","2018","140","49","16962","16966","10.1021/jacs.8b11393","","","1.54184","CuKα","","0.2076","0.0884","","","0.175","0.2483","","","","","","0.966","","","","has coordinates","243339","2020-10-21","18:00:00",""
"4133585","10.5082","0.0006","13.0458","0.0008","19.448","0.001","76.133","0.005","88.079","0.004","67.359","0.006","2383.8","0.3","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C56 H64 N4 Si2 -","- C56 H64 N4 Si2 -","- C112 H128 N8 Si4 -","2","1","","Kostenko, Arseni; Driess, Matthias","Geometrically Compelled Disilene with λ<sup>4</sup>-Coordinate Si<sup>II</sup> Atoms.","Journal of the American Chemical Society","2018","140","49","16962","16966","10.1021/jacs.8b11393","","","1.54184","CuKα","","0.1073","0.0621","","","0.1371","0.167","","","","","","1.01","","","","has coordinates","243340","2020-10-21","18:00:00",""
"4133586","26.6128","0.0017","10.402","0.0007","21.364","0.0014","90","","94.776","0.004","90","","5893.6","0.7","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 N O8 -","- C35 H31 N O8 -","- C280 H248 N8 O64 -","8","1","","Zhang, Wenhan; Liu, Shufeng; Maiga, Rayelle I.; Pelletier, Jerry; Brown, Lauren E.; Wang, Tony T.; Porco, Jr, John A","Chemical Synthesis Enables Structural Reengineering of Aglaroxin C Leading to Inhibition Bias for Hepatitis C Viral Infection.","Journal of the American Chemical Society","2019","141","3","1312","1323","10.1021/jacs.8b11477","","","1.54178","CuKα","","0.0747","0.0685","","","0.1566","0.1606","","","","","","1.097","","","","has coordinates,has disorder","243341","2020-10-21","18:00:00",""
"4133587","8.1317","0.0002","16.5366","0.0004","13.5858","0.0003","90","","99.897","0.001","90","","1799.7","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O4 S2 -","- C18 H16 N2 O4 S2 -","- C72 H64 N8 O16 S8 -","4","1","","Zhu, Xiaotao; Deng, Weili; Chiou, Mong-Feng; Ye, Changqing; Jian, Wujun; Zeng, Yuehua; Jiao, Yihang; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide.","Journal of the American Chemical Society","2019","141","1","548","559","10.1021/jacs.8b11499","","","0.71073","MoKα","","0.0687","0.0569","","","0.1199","0.1276","","","","","","1.075","","","","has coordinates","243342","2020-10-21","18:00:00",""
"4133588","9.5006","0.0006","24.2369","0.0012","10.9473","0.0008","90","","104.554","0.002","90","","2439.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O4 S2 -","- C27 H24 N2 O4 S2 -","- C108 H96 N8 O16 S8 -","4","1","","Zhu, Xiaotao; Deng, Weili; Chiou, Mong-Feng; Ye, Changqing; Jian, Wujun; Zeng, Yuehua; Jiao, Yihang; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide.","Journal of the American Chemical Society","2019","141","1","548","559","10.1021/jacs.8b11499","","","0.71073","MoKα","","0.0867","0.0641","","","0.1608","0.1821","","","","","","1.122","","","","has coordinates","243343","2020-10-21","18:00:00",""
"4133589","7.159","0.002","12.789","0.004","17.774","0.006","95.896","0.007","98.227","0.007","94.371","0.006","1595.2","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H28.5 Br Cl2 N2.5 O4 S2 -","- C30 H28.5 Br Cl2 N2.5 O4 S2 -","- C60 H57 Br2 Cl4 N5 O8 S4 -","2","1","","Zhu, Xiaotao; Deng, Weili; Chiou, Mong-Feng; Ye, Changqing; Jian, Wujun; Zeng, Yuehua; Jiao, Yihang; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide.","Journal of the American Chemical Society","2019","141","1","548","559","10.1021/jacs.8b11499","","","0.71073","MoKα","","0.1175","0.0701","","","0.1994","0.2271","","","","","","1.037","","","","has coordinates","243344","2020-10-21","18:00:00",""
"4133590","22.96","0.005","11.149","0.002","10.666","0.002","90","","90","","90","","2730.3","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H16 Cl N O -","- C15 H16 Cl N O -","- C120 H128 Cl8 N8 O8 -","8","2","","Zhu, Xiaotao; Deng, Weili; Chiou, Mong-Feng; Ye, Changqing; Jian, Wujun; Zeng, Yuehua; Jiao, Yihang; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide.","Journal of the American Chemical Society","2019","141","1","548","559","10.1021/jacs.8b11499","","","0.71073","MoKα","","0.0947","0.0693","","","0.1588","0.1798","","","","","","1.096","","","","has coordinates","243345","2020-10-21","18:00:00",""
"4133591","10.112","0.003","24.264","0.007","11.299","0.003","90","","112.743","0.005","90","","2556.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O4 S2 -","- C27 H24 N2 O4 S2 -","- C108 H96 N8 O16 S8 -","4","1","","Zhu, Xiaotao; Deng, Weili; Chiou, Mong-Feng; Ye, Changqing; Jian, Wujun; Zeng, Yuehua; Jiao, Yihang; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide.","Journal of the American Chemical Society","2019","141","1","548","559","10.1021/jacs.8b11499","","","0.71073","MoKα","","0.0488","0.0393","","","0.1026","0.1077","","","","","","0.965","","","","has coordinates","243346","2020-10-21","18:00:00",""
"4133592","20.66","0.02","10.256","0.012","25.26","0.03","90","","90","","90","","5352","10","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H24 N2 O4 S2 -","- C27 H24 N2 O4 S2 -","- C216 H192 N16 O32 S16 -","8","2","","Zhu, Xiaotao; Deng, Weili; Chiou, Mong-Feng; Ye, Changqing; Jian, Wujun; Zeng, Yuehua; Jiao, Yihang; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide.","Journal of the American Chemical Society","2019","141","1","548","559","10.1021/jacs.8b11499","","","0.71073","MoKα","","0.1353","0.0942","","","0.2296","0.2934","","","","","","0.908","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4133593","18.1358","0.001","22.5942","0.0013","7.6401","0.0004","90","","98.3549","0.0018","90","","3097.4","0.3","131","2","131","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl2 O2 -","- C18 H14 Cl2 O2 -","- C144 H112 Cl16 O16 -","8","2","","Kreuzahler, Mathis; Daniels, Alyssa; Wölper, Christoph; Haberhauer, Gebhard","1,3-Chlorine Shift to a Vinyl Cation: A Combined Experimental and Theoretical Investigation of the E-Selective Gold(I)-Catalyzed Dimerization of Chloroacetylenes.","Journal of the American Chemical Society","2019","141","3","1337","1348","10.1021/jacs.8b11501","","","1.54178","CuKα","","0.0386","0.0355","","","0.0997","0.1033","","","","","","1.02","","","","has coordinates,has disorder","243348","2020-10-21","18:00:00",""
"4133594","35.0494","0.0009","35.0494","0.0009","35.0494","0.0009","90","","90","","90","","43056.8","1.9","100","","100","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C2.13 H0.5 O2.71 Zr0.5 -","- C2.132 H0.5 O2.70558 Zr0.5 -","- C409.344 H96 O519.472 Zr96 -","192","1","","Baek, Jayeon; Rungtaweevoranit, Bunyarat; Pei, Xiaokun; Park, Myeongkee; Fakra, Sirine C.; Liu, Yi-Sheng; Matheu, Roc; Alshmimri, Sultan A.; Alshehri, Saeed; Trickett, Christopher A.; Somorjai, Gabor A.; Yaghi, Omar M.","Bioinspired Metal-Organic Framework Catalysts for Selective Methane Oxidation to Methanol.","Journal of the American Chemical Society","2018","140","51","18208","18216","10.1021/jacs.8b11525","","","0.8856","synchrotron","","0.0937","0.0643","","","0.1971","0.2204","","","","","","1.109","","","","has coordinates,has disorder","243349","2020-10-21","18:00:00",""
"4133595","35.0221","0.0015","35.0221","0.0015","35.0221","0.0015","90","","90","","90","","42956","3","100","","100","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C1.9 H0.55 O2.77 Zr0.5 -","- C1.9 H0.5 O2.77223 Zr0.5 -","- C364.8 H96 O532.269 Zr96 -","192","1","","Baek, Jayeon; Rungtaweevoranit, Bunyarat; Pei, Xiaokun; Park, Myeongkee; Fakra, Sirine C.; Liu, Yi-Sheng; Matheu, Roc; Alshmimri, Sultan A.; Alshehri, Saeed; Trickett, Christopher A.; Somorjai, Gabor A.; Yaghi, Omar M.","Bioinspired Metal-Organic Framework Catalysts for Selective Methane Oxidation to Methanol.","Journal of the American Chemical Society","2018","140","51","18208","18216","10.1021/jacs.8b11525","","x-ray","0.9538","synchrotron","","0.065","0.057","","","0.2085","0.2224","","","","","","1.158","","","","has coordinates,has disorder","243350","2020-10-21","18:00:00",""
"4133596","35.0104","0.0014","35.0104","0.0014","35.0104","0.0014","90","","90","","90","","42913","3","100","","100","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C1.74 H0.5 O2.83 Zr0.5 -","- C1.74165 H0.5 O2.83332 Zr0.5 -","- C334.397 H96 O543.998 Zr96 -","192","1","","Baek, Jayeon; Rungtaweevoranit, Bunyarat; Pei, Xiaokun; Park, Myeongkee; Fakra, Sirine C.; Liu, Yi-Sheng; Matheu, Roc; Alshmimri, Sultan A.; Alshehri, Saeed; Trickett, Christopher A.; Somorjai, Gabor A.; Yaghi, Omar M.","Bioinspired Metal-Organic Framework Catalysts for Selective Methane Oxidation to Methanol.","Journal of the American Chemical Society","2018","140","51","18208","18216","10.1021/jacs.8b11525","","","0.9537","synchrotron","","0.0606","0.0533","","","0.1729","0.1813","","","","","","1.134","","","","has coordinates,has disorder","243351","2020-10-21","18:00:00",""
"4133597","41.66","0.008","23.73","0.005","30.69","0.006","90","","90","","90","","30340","10","100","","100","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C282 H0 Cu24 N10 O150 -","- C282 Cu24 N10 O150 -","- C564 Cu48 N20 O300 -","2","0.25","","Lal, Garima; Derakhshandeh, Maziar; Akhtar, Farid; Spasyuk, Denis M.; Lin, Jian-Bin; Trifkovic, Milana; Shimizu, George K. H.","Mechanical Properties of a Metal-Organic Framework formed by Covalent Cross-Linking of Metal-Organic Polyhedra.","Journal of the American Chemical Society","2019","141","2","1045","1053","10.1021/jacs.8b11527","","","0.7781","synchrotron","","0.1233","0.0942","","","0.2735","0.2899","","","","","","2.115","","","","has coordinates,has disorder","243352","2020-10-21","18:00:00",""
"4133598","8.16835","0.00013","12.1102","0.0002","32.7192","0.0006","90","","91.3026","0.0016","90","","3235.76","0.1","123","","123","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C41 H40 O S -","- C41 H40 O S -","- C164 H160 O4 S4 -","4","2","","Konishi, Akihito; Okada, Yui; Kishi, Ryohei; Nakano, Masayoshi; Yasuda, Makoto","Enhancement of Antiaromatic Character via Additional Benzoannulation into Dibenzo[ a, f]pentalene: Syntheses and Properties of Benzo[ a]naphtho[2,1- f]pentalene and Dinaphtho[2,1- a, f]pentalene.","Journal of the American Chemical Society","2019","141","1","560","571","10.1021/jacs.8b11530","","","1.54187","CuKα","","0.0769","0.0751","","","0.2168","0.219","","","","","","1.047","","","","has coordinates,has disorder","243353","2020-10-21","18:00:00",""
"4133599","9.1358","0.0002","12.4711","0.0003","16.4639","0.0004","104.008","0.0014","92.5124","0.0014","98.3058","0.0014","1794.84","0.07","143","","143","","","","","","","","","3","P -1","-P 1","2","","","","- C44 H40 Cl4 -","- C44 H40 Cl4 -","- C88 H80 Cl8 -","2","1","","Konishi, Akihito; Okada, Yui; Kishi, Ryohei; Nakano, Masayoshi; Yasuda, Makoto","Enhancement of Antiaromatic Character via Additional Benzoannulation into Dibenzo[ a, f]pentalene: Syntheses and Properties of Benzo[ a]naphtho[2,1- f]pentalene and Dinaphtho[2,1- a, f]pentalene.","Journal of the American Chemical Society","2019","141","1","560","571","10.1021/jacs.8b11530","","","1.54187","CuKα","","","0.0821","","","","0.1418","","","","","","1.037","","","","has coordinates","243354","2020-10-21","18:00:00",""
"4133600","8.1411","0.00015","25.1404","0.0005","14.1594","0.0003","90","","90","","90","","2898.01","0.1","123","","123","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C42 H34 -","- C42 H34 -","- C168 H136 -","4","1","","Konishi, Akihito; Okada, Yui; Kishi, Ryohei; Nakano, Masayoshi; Yasuda, Makoto","Enhancement of Antiaromatic Character via Additional Benzoannulation into Dibenzo[ a, f]pentalene: Syntheses and Properties of Benzo[ a]naphtho[2,1- f]pentalene and Dinaphtho[2,1- a, f]pentalene.","Journal of the American Chemical Society","2019","141","1","560","571","10.1021/jacs.8b11530","","","1.54187","CuKα","","0.112","0.0654","","","0.1515","0.2054","","","","","","1.122","","","","has coordinates","243356","2020-10-21","18:00:00",""
"4133601","13.14495","0.00015","13.47863","0.00012","22.0101","0.0002","76.341","0.0008","78.4708","0.0009","62.6282","0.001","3346.23","0.07","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C64 H65 B F24 Ir N3 O P2 -","- C64 H65 B F24 Ir N3 O P2 -","- C128 H130 B2 F48 Ir2 N6 O2 P4 -","2","2","","Salomó, Ernest; Gallen, Albert; Sciortino, Giuseppe; Ujaque, Gregori; Grabulosa, Arnald; Lledós, Agustí; Riera, Antoni; Verdaguer, Xavier","Direct Asymmetric Hydrogenation of N-Methyl and N-Alkyl Imines with an Ir(III)H Catalyst.","Journal of the American Chemical Society","2018","140","49","16967","16970","10.1021/jacs.8b11547","","","0.71075","MoKα","","0.0741","0.054","","","0.165","0.1878","","","","","","1.092","","","","has coordinates,has disorder","243357","2020-10-21","18:00:00",""
"4133602","18.8289","0.0002","15.5259","0.0002","17.5625","0.0002","90","","90","","90","","5134.14","0.1","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C45 H58 Cl2 Ge N4 O Si2 -","- C45 H58 Cl2 Ge N4 O Si2 -","- C180 H232 Cl8 Ge4 N16 O4 Si8 -","4","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.0432","0.0413","","","0.1096","0.1119","","","","","","1.029","","","","has coordinates","243358","2020-10-21","18:00:00",""
"4133603","19.1807","0.0003","27.2268","0.0004","18.064","0.0003","90","","110.913","0.002","90","","8812.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H116 Ge2 N8 O2 Si4 -","- C90 H116 Ge2 N8 O2 Si4 -","- C360 H464 Ge8 N32 O8 Si16 -","4","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.0732","0.0469","","","0.1151","0.1324","","","","","","1.02","","","","has coordinates,has disorder","243358","2020-10-21","18:00:00",""
"4133604","15.8154","0.0008","21.7298","0.001","31.6007","0.0019","90","","90","","90","","10860.1","1","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C49 H68 Al Br3 Ge N4 O2 Si2 -","- C49 H68 Al Br3 Ge N4 O2 Si2 -","- C392 H544 Al8 Br24 Ge8 N32 O16 Si16 -","8","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.114","0.0672","","","0.1597","0.1953","","","","","","1.034","","","","has coordinates","243358","2020-10-21","18:00:00",""
"4133605","11.4436","0.0003","22.3224","0.0006","13.7102","0.0004","90","","102.777","0.003","90","","3415.53","0.17","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C45 H58 Al2 Br6 Ge N4 O Si2 -","- C45 H58 Al2 Br6 Ge N4 O Si2 -","- C90 H116 Al4 Br12 Ge2 N8 O2 Si4 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.12","0.0993","","","0.2472","0.2788","","","","","","1.063","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4133606","27.1176","0.0006","10.0166","0.0002","39.9984","0.0011","90","","107.426","0.003","90","","10366","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H73 B Ge N4 O Si2 -","- C53 H73 B Ge N4 O Si2 -","- C424 H584 B8 Ge8 N32 O8 Si16 -","8","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.045","0.0361","","","0.0859","0.0925","","","","","","1.022","","","","has coordinates","243358","2020-10-21","18:00:00",""
"4133607","15.2538","0.0006","15.9869","0.0006","21.3147","0.0009","82.753","0.003","85.315","0.003","62.81","0.004","4584.8","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H126 Ge2 N8 Ni O3 Si4 -","- C94 H126 Ge2 N8 Ni O3 Si4 -","- C188 H252 Ge4 N16 Ni2 O6 Si8 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.1316","0.1104","","","0.2903","0.304","","","","","","1.115","","","","has coordinates,has disorder","243358","2020-10-21","18:00:00",""
"4133608","9.0383","0.0003","18.6293","0.0006","18.9925","0.0006","112.389","0.003","91.666","0.003","94.184","0.003","2943.35","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H74 B Ge N4 O Si2 -","- C63 H75 B Ge N4 O Si2 -","- C126 H150 B2 Ge2 N8 O2 Si4 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.0567","0.0435","","","0.1132","0.1244","","","","","","1.029","","","","has coordinates","243358","2020-10-21","18:00:00",""
"4133609","9.1811","0.0008","12.1939","0.001","16.6464","0.0014","87.574","0.004","77.784","0.003","86.681","0.003","1817.5","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C33 H35 Cl F3 Fe O8 P3 Pt S -","- C33 H35 Cl F3 Fe O8 P3 Pt S -","- C66 H70 Cl2 F6 Fe2 O16 P6 Pt2 S2 -","2","1","","Xing, Xiangyou; Xu, Chen; Chen, Bo; Li, Chengcheng; Virgil, Scott C.; Grubbs, Robert H.","Highly Active Platinum Catalysts for Nitrile and Cyanohydrin Hydration: Catalyst Design and Ligand Screening via High-Throughput Techniques.","Journal of the American Chemical Society","2018","140","50","17782","17789","10.1021/jacs.8b11667","","","0.71073","MoKα","","0.0489","0.0339","","","0.0591","0.0627","","","","","","1.02","","","","has coordinates","243359","2020-10-21","18:00:00",""
"4133610","12.02","0.004","14.966","0.004","21.674","0.007","74.877","0.011","79.712","0.018","89.614","0.012","3700","2","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C37 H35 Cl F3 Fe O4 P3 Pt S -","- C37 H35 Cl F3 Fe O4 P3 Pt S -","- C148 H140 Cl4 F12 Fe4 O16 P12 Pt4 S4 -","4","2","","Xing, Xiangyou; Xu, Chen; Chen, Bo; Li, Chengcheng; Virgil, Scott C.; Grubbs, Robert H.","Highly Active Platinum Catalysts for Nitrile and Cyanohydrin Hydration: Catalyst Design and Ligand Screening via High-Throughput Techniques.","Journal of the American Chemical Society","2018","140","50","17782","17789","10.1021/jacs.8b11667","","","0.71073","MoKα","","0.0448","0.0262","","","0.0493","0.0531","","","","","","1.007","","","","has coordinates,has disorder","243360","2020-10-21","18:00:00",""
"4133611","10.9388","0.0019","12.077","0.003","15.114","0.005","88.291","0.007","74.307","0.011","79.727","0.009","1891.1","0.9","221","","221","","","","","","","","","9","P -1","-P 1","2","","","","- C37 H35 Cl F3 Fe O4 P3 Pt S -","- C37 H35 Cl F3 Fe O4 P3 Pt S -","- C74 H70 Cl2 F6 Fe2 O8 P6 Pt2 S2 -","2","1","","Xing, Xiangyou; Xu, Chen; Chen, Bo; Li, Chengcheng; Virgil, Scott C.; Grubbs, Robert H.","Highly Active Platinum Catalysts for Nitrile and Cyanohydrin Hydration: Catalyst Design and Ligand Screening via High-Throughput Techniques.","Journal of the American Chemical Society","2018","140","50","17782","17789","10.1021/jacs.8b11667","","","0.71073","MoKα","","0.0735","0.0421","","","0.0693","0.0766","","","","","","1.029","","","","has coordinates,has disorder","243360","2020-10-21","18:00:00",""
"4133612","10.966","0.003","12.151","0.004","15.127","0.006","88.301","0.008","74.446","0.012","79.668","0.012","1910","1.1","293","","293","","","","","","","","","9","P -1","-P 1","2","","","","- C37 H35 Cl F3 Fe O4 P3 Pt S -","- C37 H35 Cl F3 Fe O4 P3 Pt S -","- C74 H70 Cl2 F6 Fe2 O8 P6 Pt2 S2 -","2","1","","Xing, Xiangyou; Xu, Chen; Chen, Bo; Li, Chengcheng; Virgil, Scott C.; Grubbs, Robert H.","Highly Active Platinum Catalysts for Nitrile and Cyanohydrin Hydration: Catalyst Design and Ligand Screening via High-Throughput Techniques.","Journal of the American Chemical Society","2018","140","50","17782","17789","10.1021/jacs.8b11667","","","0.71073","MoKα","","0.1019","0.0487","","","0.0712","0.0816","","","","","","1.029","","","","has coordinates,has disorder","243360","2020-10-21","18:00:00",""
"4133613","10.6888","0.0012","11.6609","0.0014","14.5386","0.0017","93.888","0.004","102.803","0.004","97.548","0.004","1742.9","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C36 H35 B Cl F4 Fe O P3 Pt -","- C36 H35 B Cl F4 Fe O P3 Pt -","- C72 H70 B2 Cl2 F8 Fe2 O2 P6 Pt2 -","2","1","","Xing, Xiangyou; Xu, Chen; Chen, Bo; Li, Chengcheng; Virgil, Scott C.; Grubbs, Robert H.","Highly Active Platinum Catalysts for Nitrile and Cyanohydrin Hydration: Catalyst Design and Ligand Screening via High-Throughput Techniques.","Journal of the American Chemical Society","2018","140","50","17782","17789","10.1021/jacs.8b11667","","","0.71073","MoKα","","0.0285","0.0222","","","0.051","0.0592","","","","","","1.181","","","","has coordinates","243361","2020-10-21","18:00:00",""
"4133614","18.7227","0.0002","16.83446","0.00017","11.12873","0.00014","90","","94.7276","0.0011","90","","3495.69","0.07","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H57 F4 Ni P -","- C35 H51 F4 Ni P -","- C140 H204 F16 Ni4 P4 -","4","1","","Kawashima, Takuya; Ohashi, Masato; Ogoshi, Sensuke","Selective Catalytic Formation of Cross-Tetramers from Tetrafluoroethylene, Ethylene, Alkynes, and Aldehydes via Nickelacycles as Key Reaction Intermediates.","Journal of the American Chemical Society","2018","140","50","17423","17427","10.1021/jacs.8b11671","","x-ray","1.54184","CuKα","","0.0353","0.0324","","","0.0857","0.088","","","","","","1.063","","","","has coordinates","243362","2020-10-21","18:00:00",""
"4133615","100.02","0.02","18.644","0.004","29.23","0.006","90","","90","","90","","54507","2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C270 H240 N105 O87.75 S30 -","- C270.5 H240 N105 O87.25 S30 -","- C1082 H960 N420 O349 S120 -","4","1","","Liu, Bin; Pappas, Charalampos G.; Zangrando, Ennio; Demitri, Nicola; Chmielewski, Piotr J.; Otto, Sijbren","Complex Molecules That Fold Like Proteins Can Emerge Spontaneously.","Journal of the American Chemical Society","2019","141","4","1685","1689","10.1021/jacs.8b11698","","","0.7","synchrotron","","0.1605","0.1336","","","0.3475","0.3744","","","","","","1.253","","","","has coordinates,has disorder","243363","2020-10-21","18:00:00",""
"4133616","8.2078","0.0002","9.4326","0.0002","16.1782","0.0004","102.743","0.002","104.147","0.002","97.677","0.002","1161.12","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C31 H31 N O3 -","- C31 H31 N O3 -","- C62 H62 N2 O6 -","2","1","","Alachouzos, Georgios; Frontier, Alison J.","Cationic Cascade for Building Complex Polycyclic Molecules from Simple Precursors: Diastereoselective Installation of Three Contiguous Stereogenic Centers in a One-Pot Process.","Journal of the American Chemical Society","2019","141","1","118","122","10.1021/jacs.8b11713","","x-ray","1.54184","CuKα","","0.0564","0.05","","","0.1322","0.1374","","","","","","1.077","","","","has coordinates","243364","2020-10-21","18:00:00",""
"4133617","22.0755","0.0004","22.0755","0.0004","10.0326","0.0002","90","","90","","120","","4234.14","0.14","100","","100","","","","","","","","","6","P 6","P 6","168","","","","- C25 H20 Cl3 F3 N2 O4 -","- C25 H20 Cl3 F3 N2 O4 -","- C150 H120 Cl18 F18 N12 O24 -","6","1","","Lin, Jin-Shun; Li, Tao-Tao; Liu, Ji-Ren; Jiao, Guan-Yuan; Gu, Qiang-Shuai; Cheng, Jiang-Tao; Guo, Yu-Long; Hong, Xin; Liu, Xin-Yuan","Cu/Chiral Phosphoric Acid-Catalyzed Asymmetric Three-Component Radical-Initiated 1,2-Dicarbofunctionalization of Alkenes.","Journal of the American Chemical Society","2019","141","2","1074","1083","10.1021/jacs.8b11736","","x-ray","1.54178","CuKα","","0.0863","0.081","","","0.2259","0.2342","","","","","","1.054","","","","has coordinates,has disorder","243365","2020-10-21","18:00:00",""
"4133618","14.55","0.0003","24.8696","0.0005","25.0479","0.0005","90","","90","","90","","9063.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H50 Cl6 N6 O2 -","- C45 H50 Cl6 N6 O2 -","- C360 H400 Cl48 N48 O16 -","8","2","","Yousefi, Roozbeh; Struble, Thomas J.; Payne, Jenna L.; Vishe, Mahesh; Schley, Nathan D.; Johnston, Jeffrey N.","Catalytic, Enantioselective Synthesis of Cyclic Carbamates from Dialkyl Amines by CO<sub>2</sub>-Capture: Discovery, Development, and Mechanism.","Journal of the American Chemical Society","2019","141","1","618","625","10.1021/jacs.8b11793","","x-ray","1.54184","CuKα","","0.0969","0.0908","","","0.248","0.257","","","","","","1.066","","","","has coordinates","243366","2020-10-21","18:00:00",""
"4133619","7.8606","0.0004","9.1352","0.0004","25.0134","0.0012","90","","90","","90","","1796.17","0.15","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 F3 I N O2 -","- C19 H17 F3 I N O2 -","- C76 H68 F12 I4 N4 O8 -","4","1","","Yousefi, Roozbeh; Struble, Thomas J.; Payne, Jenna L.; Vishe, Mahesh; Schley, Nathan D.; Johnston, Jeffrey N.","Catalytic, Enantioselective Synthesis of Cyclic Carbamates from Dialkyl Amines by CO<sub>2</sub>-Capture: Discovery, Development, and Mechanism.","Journal of the American Chemical Society","2019","141","1","618","625","10.1021/jacs.8b11793","","","0.71073","MoKα","","0.0171","0.017","","","0.0467","0.0468","","","","","","1.19","","","","has coordinates","243367","2020-10-21","18:00:00",""
"4133620","10.666","0.0018","12.0616","0.0019","15.045","0.003","92.005","0.005","110.621","0.005","115.023","0.005","1602.4","0.5","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H45 Cl N2 O -","- C36 H45 Cl N2 O -","- C72 H90 Cl2 N4 O2 -","2","1","","Regnier, Vianney; Romero, Erik A.; Molton, Florian; Jazzar, Rodolphe; Bertrand, Guy; Martin, David","What Are the Radical Intermediates in Oxidative N-Heterocyclic Carbene Organocatalysis?","Journal of the American Chemical Society","2019","141","2","1109","1117","10.1021/jacs.8b11824","","x-ray","1.54178","CuKα","","0.0378","0.0362","","","0.0972","0.0987","","","","","","1.053","","","","has coordinates","243368","2020-10-21","18:00:00",""
"4133621","13.0915","0.0005","16.6801","0.0006","17.3486","0.0007","90","","101.572","0.002","90","","3711.4","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H43 Cl4 N O -","- C32 H43 Cl4 N O -","- C128 H172 Cl16 N4 O4 -","4","1","","Regnier, Vianney; Romero, Erik A.; Molton, Florian; Jazzar, Rodolphe; Bertrand, Guy; Martin, David","What Are the Radical Intermediates in Oxidative N-Heterocyclic Carbene Organocatalysis?","Journal of the American Chemical Society","2019","141","2","1109","1117","10.1021/jacs.8b11824","","x-ray","1.54178","CuKα","","0.062","0.0515","","","0.1366","0.1451","","","","","","1.056","","","","has coordinates","243368","2020-10-21","18:00:00",""
"4133622","16.9668","0.0011","16.6522","0.0012","25.8421","0.0019","90","","90","","90","","7301.3","0.9","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H47 Cl4 N O -","- C38 H47 Cl4 N O -","- C304 H376 Cl32 N8 O8 -","8","2","","Regnier, Vianney; Romero, Erik A.; Molton, Florian; Jazzar, Rodolphe; Bertrand, Guy; Martin, David","What Are the Radical Intermediates in Oxidative N-Heterocyclic Carbene Organocatalysis?","Journal of the American Chemical Society","2019","141","2","1109","1117","10.1021/jacs.8b11824","","x-ray","0.71073","MoKα","","0.0469","0.0361","","","0.0699","0.0749","","","","","","1.026","","","","has coordinates,has disorder","243368","2020-10-21","18:00:00",""
"4133623","29.5873","0.0011","9.0822","0.0004","23.4041","0.0008","90","","103.805","0.002","90","","6107.4","0.4","100.15","","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H46 N O -","- C37 H46 N O -","- C296 H368 N8 O8 -","8","1","","Regnier, Vianney; Romero, Erik A.; Molton, Florian; Jazzar, Rodolphe; Bertrand, Guy; Martin, David","What Are the Radical Intermediates in Oxidative N-Heterocyclic Carbene Organocatalysis?","Journal of the American Chemical Society","2019","141","2","1109","1117","10.1021/jacs.8b11824","","x-ray","1.54178","CuKα","","0.0452","0.0426","","","0.1091","0.1113","","","","","","1.059","","","","has coordinates","243368","2020-10-21","18:00:00",""
"4133624","36.1038","0.0006","9.0432","0.0002","26.0806","0.0005","90","","92.463","0.002","90","","8507.3","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H55 N4 O Si2 -","- C45 H55 N4 O Si2 -","- C360 H440 N32 O8 Si16 -","8","1","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.0808","0.0525","","","0.1255","0.1463","","","","","","0.992","","","","has coordinates","243369","2020-10-21","18:00:00",""
"4133625","15.6523","0.0002","17.3543","0.0003","18.3413","0.0002","90","","90","","90","","4982.13","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H68 N4 O4 Si2 -","- C51 H68 N4 O4 Si2 -","- C204 H272 N16 O16 Si8 -","4","1","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.0606","0.0479","","","0.1167","0.1277","","","","","","1.029","","","","has coordinates,has disorder","243369","2020-10-21","18:00:00",""
"4133626","16.8653","0.0009","24.8239","0.0009","9.3582","0.0004","90","","90","","90","","3917.9","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C42 H54 Fe N4 O2 Si2 -","- C42 H54 Fe N4 O2 Si2 -","- C168 H216 Fe4 N16 O8 Si8 -","4","0.5","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.0766","0.0455","","","0.0955","0.1126","","","","","","1.018","","","","has coordinates","243369","2020-10-21","18:00:00",""
"4133627","16.8495","0.0004","13.9048","0.0003","22.1044","0.0005","90","","106.452","0.003","90","","4966.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H67 N5 O Si2 -","- C54 H67 N5 O Si2 -","- C216 H268 N20 O4 Si8 -","4","1","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.0906","0.0515","","","0.1142","0.1381","","","","","","1.009","","","","has coordinates,has disorder","243369","2020-10-21","18:00:00",""
"4133628","12.8721","0.0006","13.2729","0.0007","20.801","0.0009","102.478","0.004","90.872","0.004","116.307","0.005","3085.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H90 N6 O Si2 -","- C69 H90 N6 O Si2 -","- C138 H180 N12 O2 Si4 -","2","1","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.1502","0.0887","","","0.2135","0.2769","","","","","","0.986","","","","has coordinates","243369","2020-10-21","18:00:00",""
"4133629","11.3993","0.0004","12.6636","0.0005","21.9289","0.0007","80.018","0.003","83.9","0.003","63.968","0.004","2799.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H76 N6 O Si2 -","- C63 H76 N6 O Si2 -","- C126 H152 N12 O2 Si4 -","2","1","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.0588","0.0444","","","0.1147","0.1275","","","","","","1.015","","","","has coordinates,has disorder","243369","2020-10-21","18:00:00",""
"4133630","16.9921","0.0003","21.7092","0.0004","27.5293","0.0004","90","","90","","90","","10155.1","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C55 H67 N5 O2 Si2 -","- C55 H67 N5 O2 Si2 -","- C440 H536 N40 O16 Si16 -","8","1","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.0762","0.0517","","","0.1349","0.152","","","","","","1.024","","","","has coordinates,has disorder","243369","2020-10-21","18:00:00",""
"4133631","9.4406","0.0002","11.4272","0.0003","20.2122","0.0005","90","","97.538","0.002","90","","2161.64","0.09","100","2","100","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C104 H116 N4 O12 -","4","2","","Derosa, Joseph; Kleinmans, Roman; Tran, Van T.; Karunananda, Malkanthi K.; Wisniewski, Steven R.; Eastgate, Martin D.; Engle, Keary M.","Nickel-Catalyzed 1,2-Diarylation of Simple Alkenyl Amides.","Journal of the American Chemical Society","2018","140","51","17878","17883","10.1021/jacs.8b11942","","x-ray","1.54178","CuKα","","0.0424","0.0373","","","0.0935","0.0969","","","","","","1.036","","","","has coordinates","243370","2020-10-21","18:00:00",""
"4133632","14.588","0.002","5.3289","0.0008","23.934","0.004","90","","99.081","0.004","90","","1837.3","0.5","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C84 H108 N4 O8 -","4","1","","Derosa, Joseph; Kleinmans, Roman; Tran, Van T.; Karunananda, Malkanthi K.; Wisniewski, Steven R.; Eastgate, Martin D.; Engle, Keary M.","Nickel-Catalyzed 1,2-Diarylation of Simple Alkenyl Amides.","Journal of the American Chemical Society","2018","140","51","17878","17883","10.1021/jacs.8b11942","","x-ray","0.71073","MoKα","","0.0594","0.044","","","0.0988","0.1059","","","","","","1.02","","","","has coordinates","243371","2020-10-21","18:00:00",""
"4133633","9.4479","0.0006","15.9921","0.0011","30.118","0.002","90","","97.482","0.006","90","","4511.8","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N O4 -","- C26 H29 N O4 -","- C208 H232 N8 O32 -","8","2","","Derosa, Joseph; Kleinmans, Roman; Tran, Van T.; Karunananda, Malkanthi K.; Wisniewski, Steven R.; Eastgate, Martin D.; Engle, Keary M.","Nickel-Catalyzed 1,2-Diarylation of Simple Alkenyl Amides.","Journal of the American Chemical Society","2018","140","51","17878","17883","10.1021/jacs.8b11942","","x-ray","1.54178","CuKα","","0.1044","0.0711","","","0.1761","0.1947","","","","","","1.082","","","","has coordinates","243372","2020-10-21","18:00:00",""
"4133634","28.286","0.006","13.537","0.003","16.108","0.003","90","","116.85","0.03","90","","5503","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H18 Cl4 N12 O12 -","- C44 H18 Cl4 N12 O12 -","- C176 H72 Cl16 N48 O48 -","4","0.5","","Tuo, De-Hui; Liu, Wei; Wang, Xue-Yuan; Wang, Xu-Dong; Ao, Yu-Fei; Wang, Qi-Qiang; Li, Zhi-Yan; Wang, De-Xian","Toward Anion-π Interactions Directed Self-Assembly with Predesigned Dual Macrocyclic Receptors and Dianions.","Journal of the American Chemical Society","2019","141","2","1118","1125","10.1021/jacs.8b12018","","","0.71073","MoKα","","0.2087","0.1367","","","0.3444","0.3746","","","","","","1.701","","","","has coordinates","243373","2020-10-21","18:00:00",""
"4133635","16.2491","0.0006","13.0217","0.0005","26.5922","0.0011","90","","96.52","0.003","90","","5590.3","0.4","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C48 H20 Cl4 N12 O12 -","- C48 H20 Cl4 N12 O12 -","- C192 H80 Cl16 N48 O48 -","4","1","","Tuo, De-Hui; Liu, Wei; Wang, Xue-Yuan; Wang, Xu-Dong; Ao, Yu-Fei; Wang, Qi-Qiang; Li, Zhi-Yan; Wang, De-Xian","Toward Anion-π Interactions Directed Self-Assembly with Predesigned Dual Macrocyclic Receptors and Dianions.","Journal of the American Chemical Society","2019","141","2","1118","1125","10.1021/jacs.8b12018","","","0.71073","MoKα","","0.1493","0.0701","","","0.137","0.1634","","","","","","1.006","","","","has coordinates","243374","2020-10-21","18:00:00",""
"4133636","18.522","0.005","18.643","0.004","19.169","0.005","87.147","0.011","78.044","0.006","85.787","0.01","6454","3","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C118 H130 Cl4 N18 O32 S2 -","- C118 H130 Cl4 N18 O32 S2 -","- C236 H260 Cl8 N36 O64 S4 -","2","1","","Tuo, De-Hui; Liu, Wei; Wang, Xue-Yuan; Wang, Xu-Dong; Ao, Yu-Fei; Wang, Qi-Qiang; Li, Zhi-Yan; Wang, De-Xian","Toward Anion-π Interactions Directed Self-Assembly with Predesigned Dual Macrocyclic Receptors and Dianions.","Journal of the American Chemical Society","2019","141","2","1118","1125","10.1021/jacs.8b12018","","","0.71073","MoKα","","0.1983","0.1692","","","0.4114","0.4344","","","","","","1.211","","","","has coordinates","243375","2020-10-21","18:00:00",""
"4133637","10.035","0.003","21.931","0.007","17.509","0.006","90","","94.079","0.005","90","","3844","2","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H26 Cl22 N12 O12 -","- C54 H26 Cl22 N12 O12 -","- C108 H52 Cl44 N24 O24 -","2","0.5","","Tuo, De-Hui; Liu, Wei; Wang, Xue-Yuan; Wang, Xu-Dong; Ao, Yu-Fei; Wang, Qi-Qiang; Li, Zhi-Yan; Wang, De-Xian","Toward Anion-π Interactions Directed Self-Assembly with Predesigned Dual Macrocyclic Receptors and Dianions.","Journal of the American Chemical Society","2019","141","2","1118","1125","10.1021/jacs.8b12018","","","0.71073","MoKα","","0.1157","0.1023","","","0.2567","0.2666","","","","","","1.151","","","","has coordinates,has disorder","243376","2020-10-21","18:00:00",""
"4133638","12.036","0.005","12.274","0.006","13.289","0.005","82.49","0.03","67.68","0.03","67.96","0.02","1683.2","1.3","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H54 Cl4 N18 O16 -","- C64 H54 Cl4 N18 O16 -","- C64 H54 Cl4 N18 O16 -","1","0.5","","Tuo, De-Hui; Liu, Wei; Wang, Xue-Yuan; Wang, Xu-Dong; Ao, Yu-Fei; Wang, Qi-Qiang; Li, Zhi-Yan; Wang, De-Xian","Toward Anion-π Interactions Directed Self-Assembly with Predesigned Dual Macrocyclic Receptors and Dianions.","Journal of the American Chemical Society","2019","141","2","1118","1125","10.1021/jacs.8b12018","","","0.71073","MoKα","","0.1525","0.1334","","","0.3218","0.3341","","","","","","1.774","","","","has coordinates","243377","2020-10-21","18:00:00",""
"4133639","10.3674","0.0015","10.4431","0.0015","10.6187","0.0015","85.78","0.004","85.901","0.004","63.71","0.004","1027","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 N4 O Si -","- C21 H28 N4 O Si -","- C42 H56 N8 O2 Si2 -","2","1","","Gu, Yiting; Shen, Yangyang; Zarate, Cayetana; Martin, Ruben","A Mild and Direct Site-Selective sp<sup>2</sup> C-H Silylation of (Poly)Azines.","Journal of the American Chemical Society","2019","141","1","127","132","10.1021/jacs.8b12063","","","0.71073","MoKα","","0.066","0.0447","","","0.104","0.114","","","","","","1.03","","","","has coordinates","243378","2020-10-21","18:00:00",""
"4133640","7.1983","0.0007","11.583","0.0012","17.2442","0.0018","101.815","0.003","94.813","0.003","99.388","0.003","1378.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H45 N5 O2 Si -","- C27 H45 N5 O2 Si -","- C54 H90 N10 O4 Si2 -","2","1","","Gu, Yiting; Shen, Yangyang; Zarate, Cayetana; Martin, Ruben","A Mild and Direct Site-Selective sp<sup>2</sup> C-H Silylation of (Poly)Azines.","Journal of the American Chemical Society","2019","141","1","127","132","10.1021/jacs.8b12063","","","0.71073","MoKα","","0.0874","0.064","","","0.1654","0.1852","","","","","","1.035","","","","has coordinates","243379","2020-10-21","18:00:00",""
"4133641","6.2545","0.0002","13.5393","0.0003","19.2401","0.0005","90","","90","","90","","1629.28","0.08","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Wei, Yi; Liu, Song; Li, Miao-Miao; Li, Yi; Lan, Yu; Lu, Liang-Qiu; Xiao, Wen-Jing","Enantioselective Trapping of Pd-Containing 1,5-Dipoles by Photogenerated Ketenes: Access to 7-Membered Lactones Bearing Chiral Quaternary Stereocenters.","Journal of the American Chemical Society","2019","141","1","133","137","10.1021/jacs.8b12095","","","1.54178","CuKα","","0.0324","0.0314","","","0.0821","0.0829","","","","","","1.048","","","","has coordinates","243380","2020-10-21","18:00:00",""
"4133642","10.4462","0.0005","16.5828","0.0008","12.4288","0.0006","90","","105.487","0.002","90","","2074.83","0.17","100","2","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Br N3 O7 -","- C20 H22 Br N3 O7 -","- C80 H88 Br4 N12 O28 -","4","1","","Bingham, Tanner W.; Hernandez, Lucas W.; Olson, Daniel G.; Svec, Riley L.; Hergenrother, Paul J.; Sarlah, David","Enantioselective Synthesis of Isocarbostyril Alkaloids and Analogs Using Catalytic Dearomative Functionalization of Benzene.","Journal of the American Chemical Society","2019","141","1","657","670","10.1021/jacs.8b12123","","x-ray","0.71073","MoKα","","0.0277","0.0253","","","0.0642","0.0655","","","","","","1.031","","","","has coordinates","243381","2020-10-21","18:00:00",""
"4133643","8.6131","0.0002","13.0876","0.0004","16.5039","0.0005","90","","97.683","0.001","90","","1843.7","0.09","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","halohydrin","","- C17 H17 Br2 N3 O5 -","- C17 H17 Br2 N3 O5 -","- C68 H68 Br8 N12 O20 -","4","1","","Bingham, Tanner W.; Hernandez, Lucas W.; Olson, Daniel G.; Svec, Riley L.; Hergenrother, Paul J.; Sarlah, David","Enantioselective Synthesis of Isocarbostyril Alkaloids and Analogs Using Catalytic Dearomative Functionalization of Benzene.","Journal of the American Chemical Society","2019","141","1","657","670","10.1021/jacs.8b12123","","x-ray","0.71073","MoKα","","0.024","0.0203","","","0.0491","0.0503","","","","","","1.029","","","","has coordinates","243382","2020-10-21","18:00:00",""
"4133644","36.4159","0.0009","36.4159","0.0009","6.6637","0.0002","90","","90","","120","","7652.9","0.4","","","100.03","","","","","","","","","4","R 3 :H","R 3","146","","diol","","- C17 H19 N3 O6 -","- C17 H19 N3 O6 -","- C306 H342 N54 O108 -","18","2","","Bingham, Tanner W.; Hernandez, Lucas W.; Olson, Daniel G.; Svec, Riley L.; Hergenrother, Paul J.; Sarlah, David","Enantioselective Synthesis of Isocarbostyril Alkaloids and Analogs Using Catalytic Dearomative Functionalization of Benzene.","Journal of the American Chemical Society","2019","141","1","657","670","10.1021/jacs.8b12123","","x-ray","1.54178","CuKα","","0.0265","0.0261","","","0.0668","0.0672","","","","","","1.077","","","","has coordinates","243383","2020-10-21","18:00:00",""
"4133645","7.2381","0.0003","9.3207","0.0004","11.0024","0.0004","67.514","0.001","89.888","0.001","75.525","0.001","660.42","0.05","100","2","100.01","","","","","","","","","4","P 1","P 1","1","","(+)-lycoricidine","","- C14 H15 N O7 -","- C14 H15 N O7 -","- C28 H30 N2 O14 -","2","2","","Bingham, Tanner W.; Hernandez, Lucas W.; Olson, Daniel G.; Svec, Riley L.; Hergenrother, Paul J.; Sarlah, David","Enantioselective Synthesis of Isocarbostyril Alkaloids and Analogs Using Catalytic Dearomative Functionalization of Benzene.","Journal of the American Chemical Society","2019","141","1","657","670","10.1021/jacs.8b12123","","x-ray","1.54178","CuKα","","0.0306","0.0304","","","0.0778","0.078","","","","","","1.072","","","","has coordinates","243384","2020-10-21","18:00:00",""
"4133646","10.84","0.0002","20.374","0.0004","14.4408","0.0003","90","","92.411","0.001","90","","3186.49","0.11","170","2","170.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H49 I N4 Yb -","- C31 H49 I N4 Yb -","- C124 H196 I4 N16 Yb4 -","4","1","","Liu, Xiaojuan; Xiang, Li; Louyriac, Elisa; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Divalent Ytterbium Complex-Catalyzed Homo- and Cross-Coupling of Primary Arylsilanes.","Journal of the American Chemical Society","2019","141","1","138","142","10.1021/jacs.8b12138","","","1.34139","GaKα","","0.0313","0.0275","","","0.0705","0.0725","","","","","","1.044","","","","has coordinates,has disorder","243385","2020-10-21","18:00:00",""
"4133647","14.361","0.003","20.959","0.004","21.535","0.004","90","","90","","90","","6482","2","296","2","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H52 N4 Si Yb -","- C28 H52 N4 Si Yb -","- C224 H416 N32 Si8 Yb8 -","8","1","","Liu, Xiaojuan; Xiang, Li; Louyriac, Elisa; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Divalent Ytterbium Complex-Catalyzed Homo- and Cross-Coupling of Primary Arylsilanes.","Journal of the American Chemical Society","2019","141","1","138","142","10.1021/jacs.8b12138","","","0.71073","MoKα","","0.0992","0.0375","","","0.0654","0.0832","","","","","","0.982","","","","has coordinates","243385","2020-10-21","18:00:00",""
"4133648","10.8609","0.0004","11.002","0.0004","18.3602","0.0006","77.331","0.002","83.437","0.002","60.677","0.002","1866.16","0.12","182","2","182.62","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H63 N4 Si2 Yb -","- C32 H63 N4 Si2 Yb -","- C64 H126 N8 Si4 Yb2 -","2","1","","Liu, Xiaojuan; Xiang, Li; Louyriac, Elisa; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Divalent Ytterbium Complex-Catalyzed Homo- and Cross-Coupling of Primary Arylsilanes.","Journal of the American Chemical Society","2019","141","1","138","142","10.1021/jacs.8b12138","","","1.34139","GaKα","","0.0314","0.0291","","","0.0759","0.0773","","","","","","1.077","","","","has coordinates","243385","2020-10-21","18:00:00",""
"4133649","7.1967","0.0003","19.2597","0.0004","10.445","0.0004","90","","105.491","0.005","90","","1395.15","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H18 Br Cl N2 O -","- C13 H18 Br Cl N2 O -","- C52 H72 Br4 Cl4 N8 O4 -","4","2","","Kim, Seung Wook; Schwartz, Leyah A.; Zbieg, Jason R.; Stivala, Craig E.; Krische, Michael J.","Regio- and Enantioselective Iridium-Catalyzed Amination of Racemic Branched Alkyl-Substituted Allylic Acetates with Primary and Secondary Aromatic and Heteroaromatic Amines.","Journal of the American Chemical Society","2019","141","1","671","676","10.1021/jacs.8b12152","","","1.54184","CuKα","","0.0365","0.0359","","","0.0941","0.0948","","","","","","1.065","","","","has coordinates","243386","2020-10-21","18:00:00",""
"4133650","6.84","0.03","7.717","0.019","18.32","0.04","81.71","0.09","85.48","0.1","72.46","0.07","912","5","111","2","111","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H20 F N O3 Si -","- C19 H20 F N O3 Si -","- C38 H40 F2 N2 O6 Si2 -","2","1","","Li, Ting; Zhang, Liming","Bifunctional Biphenyl-2-ylphosphine Ligand Enables Tandem Gold-Catalyzed Propargylation of Aldehyde and Unexpected Cycloisomerization.","Journal of the American Chemical Society","2018","140","50","17439","17443","10.1021/jacs.8b12478","","","0.71073","MoKα","","0.1109","0.0745","","","0.2064","0.2328","","","","","","1.044","","","","has coordinates","243387","2020-10-21","18:00:00",""
"4133651","9.6137","0.0004","12.478","0.0006","13.2623","0.0006","73.366","0.002","85.413","0.002","84.457","0.002","1514.95","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H47 N2 Re -","- C34 H47 N2 Re -","- C68 H94 N4 Re2 -","2","1","","Lohrey, Trevor D.; Maron, Laurent; Bergman, Robert G.; Arnold, John","Heterotetrametallic Re-Zn-Zn-Re Complex Generated by an Anionic Rhenium(I) β-Diketiminate.","Journal of the American Chemical Society","2019","141","2","800","804","10.1021/jacs.8b12494","","","0.7288","synchrotron","","0.0234","0.0223","","","0.0558","0.0563","","","","","","1.095","","","","has coordinates","243388","2020-10-21","18:00:00",""
"4133652","12.5845","0.0006","18.1223","0.0007","13.8772","0.0006","90","","106.396","0.002","90","","3036.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Re(Cp)(BDI)","","","- C34 H46 N2 Re -","- C34 H46 N2 Re -","- C136 H184 N8 Re4 -","4","1","","Lohrey, Trevor D.; Maron, Laurent; Bergman, Robert G.; Arnold, John","Heterotetrametallic Re-Zn-Zn-Re Complex Generated by an Anionic Rhenium(I) β-Diketiminate.","Journal of the American Chemical Society","2019","141","2","800","804","10.1021/jacs.8b12494","","","0.71073","MoKα","","0.0476","0.0336","","","0.0693","0.0734","","","","","","1.058","","","","has coordinates","243389","2020-10-21","18:00:00",""
"4133653","12.1625","0.0003","21.0519","0.0007","12.4534","0.0004","90","","90","","90","","3188.62","0.17","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H46 N2 Na Re -","- C34 H46 N2 Na Re -","- C136 H184 N8 Na4 Re4 -","4","0.5","","Lohrey, Trevor D.; Maron, Laurent; Bergman, Robert G.; Arnold, John","Heterotetrametallic Re-Zn-Zn-Re Complex Generated by an Anionic Rhenium(I) β-Diketiminate.","Journal of the American Chemical Society","2019","141","2","800","804","10.1021/jacs.8b12494","","x-ray","0.71073","MoKα","","0.0437","0.0371","","","0.0863","0.0895","","","","","","1.032","","","","has coordinates","243390","2020-10-21","18:00:00",""
"4133654","11.979","0.0003","12.3925","0.0003","13.8937","0.0003","97.317","0.001","109.657","0.001","94.52","0.001","1910.09","0.08","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H102 F6 N4 O7 Re2 S2 Zn2 -","- C74 H102 F6 N4 O7 Re2 S2 Zn2 -","- C74 H102 F6 N4 O7 Re2 S2 Zn2 -","1","0.5","","Lohrey, Trevor D.; Maron, Laurent; Bergman, Robert G.; Arnold, John","Heterotetrametallic Re-Zn-Zn-Re Complex Generated by an Anionic Rhenium(I) β-Diketiminate.","Journal of the American Chemical Society","2019","141","2","800","804","10.1021/jacs.8b12494","","","0.71073","MoKα","","0.0226","0.0198","","","0.0411","0.0419","","","","","","1.029","","","","has coordinates,has disorder","243391","2020-10-21","18:00:00",""
"4133655","12.6151","0.0002","12.744","0.0002","22.8461","0.0004","88.556","0.001","77.634","0.001","73.542","0.001","3438.22","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H106 N4 Re2 Zn2 -","- C68 H92 N4 Re2 Zn2 -","- C136 H184 N8 Re4 Zn4 -","2","1","","Lohrey, Trevor D.; Maron, Laurent; Bergman, Robert G.; Arnold, John","Heterotetrametallic Re-Zn-Zn-Re Complex Generated by an Anionic Rhenium(I) β-Diketiminate.","Journal of the American Chemical Society","2019","141","2","800","804","10.1021/jacs.8b12494","","","0.71073","MoKα","","0.0286","0.0218","","","0.0462","0.0486","","","","","","0.995","","","","has coordinates,has disorder","243392","2020-10-21","18:00:00",""
"4133656","6.5896","0.0003","9.7473","0.0005","12.2249","0.0008","68.974","0.006","75.048","0.005","71.536","0.005","685.9","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C32 H26 Cl2 O4 -","2","2","","Liu, Yidong; Liu, Song; Li, Dongmei; Zhang, Nan; Peng, Lei; Ao, Jun; Song, Choong Eui; Lan, Yu; Yan, Hailong","Kinetic Resolution of Allylic Alcohol with Chiral BINOL-Based Alkoxides: A Combination of Experimental and Theoretical Studies.","Journal of the American Chemical Society","2019","141","2","1150","1159","10.1021/jacs.8b12796","","","0.71073","MoKα","","0.0563","0.0429","","","0.0955","0.1072","","","","","","1.044","","","","has coordinates","243393","2020-10-21","18:00:00",""
"4133657","19.5192","0.0004","19.5192","0.0004","8.5136","0.0002","90","","90","","120","","2809.1","0.1","100","2","100","","","","","","","","","4","P 65","P 65","170","","","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C120 H156 N12 O12 -","6","1","","He, Chi; Stratton, Thomas P.; Baran, Phil S.","Concise Total Synthesis of Herqulines B and C.","Journal of the American Chemical Society","2019","141","1","29","32","10.1021/jacs.8b13029","","x-ray","1.54178","CuKα","","0.0283","0.0272","","","0.0716","0.0726","","","","","","1.036","","","","has coordinates","243394","2020-10-21","18:00:00",""
"4133658","8.048","0.0003","8.858","0.0004","10.9924","0.0005","69.1109","0.0016","76.8504","0.0017","68.754","0.0016","678.01","0.05","100","2","99.99","","","","","","","","","4","P -1","-P 1","2","","benzene_MTAD_iPrNH2","","- C12 H20 N4 O3 -","- C12 H20 N4 O3 -","- C24 H40 N8 O6 -","2","1","","Wertjes, William C.; Okumura, Mikiko; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Diamination.","Journal of the American Chemical Society","2019","141","1","163","167","10.1021/jacs.8b13030","","x-ray","0.71073","MoKα","","0.0584","0.0472","","","0.094","0.098","","","","","","1.107","","","","has coordinates","243395","2020-10-21","18:00:00",""
"4133659","22.4136","0.001","6.0223","0.0003","19.9058","0.0008","90","","94.244","0.002","90","","2679.5","0.2","100","2","99.95","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N4 O3 -","- C13 H18 N4 O3 -","- C104 H144 N32 O24 -","8","1","","Wertjes, William C.; Okumura, Mikiko; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Diamination.","Journal of the American Chemical Society","2019","141","1","163","167","10.1021/jacs.8b13030","","x-ray","0.71073","MoKα","","0.0402","0.0376","","","0.0947","0.0969","","","","","","1.05","","","","has coordinates","243396","2020-10-21","18:00:00",""
"4133660","9.8206","0.0004","11.1581","0.0005","15.3236","0.0007","101.924","0.001","100.739","0.001","100.154","0.001","1573.33","0.12","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","naphthalene_nPrNH2_MTAD","","- C16 H21.31 N4 O2.66 -","- C16 H21.314 N4 O2.657 -","- C64 H85.256 N16 O10.628 -","4","2","","Wertjes, William C.; Okumura, Mikiko; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Diamination.","Journal of the American Chemical Society","2019","141","1","163","167","10.1021/jacs.8b13030","","x-ray","0.71073","MoKα","","0.0799","0.0551","","","0.1248","0.1376","","","","","","1.029","","","","has coordinates,has disorder","243397","2020-10-21","18:00:00",""
"4133661","9.5948","0.0002","12.3669","0.0003","16.3965","0.0004","99.972","0.001","104.315","0.001","91.519","0.001","1851.78","0.08","100","2","100.03","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N4 O2 -","- C21 H22 N4 O2 -","- C84 H88 N16 O8 -","4","2","","Wertjes, William C.; Okumura, Mikiko; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Diamination.","Journal of the American Chemical Society","2019","141","1","163","167","10.1021/jacs.8b13030","","x-ray","1.54178","CuKα","","0.0449","0.0365","","","0.0805","0.0851","","","","","","1.068","","","","has coordinates","243398","2020-10-21","18:00:00",""
"4133662","19.9464","0.0011","19.9464","0.0011","9.529","0.0009","90","","90","","120","","3283.3","0.4","100","2","100","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C24 H20 Cd N4 O8 -","- C24 H12 Cd N4 O8 -","- C72 H36 Cd3 N12 O24 -","3","0.25","","Qu, Liyuan; Iguchi, Hiroaki; Takaishi, Shinya; Habib, Faiza; Leong, Chanel F.; D'Alessandro, Deanna M; Yoshida, Takefumi; Abe, Hitoshi; Nishibori, Eiji; Yamashita, Masahiro","Porous Molecular Conductor: Electrochemical Fabrication of Through-Space Conduction Pathways among Linear Coordination Polymers.","Journal of the American Chemical Society","2019","141","17","6802","6806","10.1021/jacs.9b01717","","","0.71073","MoKα","","0.1524","0.0839","","","0.2276","0.2609","","","","","","1.092","","","","has coordinates,has disorder","243399","2020-10-21","18:00:00",""
"4133663","10.944","0.0016","11.5746","0.0017","22.46","0.003","90.349","0.006","92.11","0.005","91.978","0.006","2841.4","0.7","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C29 H18 Cd N O6 -","- C58 H36 Cd2 N2 O12 -","- C116 H72 Cd4 N4 O24 -","2","1","","Mayer, David C.; Manzi, Aurora; Medishetty, Raghavender; Winkler, Benedikt; Schneider, Christian; Kieslich, Gregor; Pöthig, Alexander; Feldmann, Jochen; Fischer, Roland A.","Controlling Multiphoton Absorption Efficiency by Chromophore Packing in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","29","11594","11602","10.1021/jacs.9b04213","","x-ray","0.71073","MoKα","","0.2319","0.1951","","","0.4551","0.4754","","","","","","1.093","","","","has coordinates,has disorder","243400","2020-10-21","18:00:00",""
"4133664","21.714","0.002","10.0036","0.001","15.182","0.0016","90","","99.158","0.003","90","","3255.8","0.6","100","","100","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H72 N6 O12 Zn2 -","- C66 H54 N4 O10 Zn2 -","- C132 H108 N8 O20 Zn4 -","2","0.5","","Mayer, David C.; Manzi, Aurora; Medishetty, Raghavender; Winkler, Benedikt; Schneider, Christian; Kieslich, Gregor; Pöthig, Alexander; Feldmann, Jochen; Fischer, Roland A.","Controlling Multiphoton Absorption Efficiency by Chromophore Packing in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","29","11594","11602","10.1021/jacs.9b04213","","x-ray","0.71073","MoKα","","0.0392","0.03","","","0.0721","0.0768","","","","","","1.058","","","","has coordinates","243401","2020-10-21","18:00:00",""
"4133665","11.072","0.01","11.414","0.012","22.31","0.02","91.12","0.04","92.52","0.07","93.32","0.04","2811","5","293","","293","","","","","","","","see text","5","P -1","-P 1","2","","","","- C61 H44 Cd2 N3 O11 -","- C58 H36 Cd2 N2 O9 -","- C116 H72 Cd4 N4 O18 -","2","1","","Mayer, David C.; Manzi, Aurora; Medishetty, Raghavender; Winkler, Benedikt; Schneider, Christian; Kieslich, Gregor; Pöthig, Alexander; Feldmann, Jochen; Fischer, Roland A.","Controlling Multiphoton Absorption Efficiency by Chromophore Packing in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","29","11594","11602","10.1021/jacs.9b04213","","x-ray","0.71073","MoKα","","0.2","0.0955","","","0.2664","0.3305","","","","","","0.971","","","","has coordinates,has disorder","243402","2020-10-21","18:00:00",""
"4133666","10.0386","0.0007","16.5446","0.0011","17.6418","0.001","100.011","0.002","104.223","0.002","90.103","0.002","2793.9","0.3","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C70 H66.5 Cl1.5 N2 O8 -","- C62 H48 N2 O8 -","- C124 H96 N4 O16 -","2","1","","Mayer, David C.; Manzi, Aurora; Medishetty, Raghavender; Winkler, Benedikt; Schneider, Christian; Kieslich, Gregor; Pöthig, Alexander; Feldmann, Jochen; Fischer, Roland A.","Controlling Multiphoton Absorption Efficiency by Chromophore Packing in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","29","11594","11602","10.1021/jacs.9b04213","","x-ray","0.71073","MoKα","","0.0668","0.0497","","","0.1214","0.1323","","","","","","1.018","","","","has coordinates","243403","2020-10-21","18:00:00",""
"4133667","11.987","0.003","39.23","0.008","47.618","0.011","90","","90","","90","","22392","9","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C14 H8 N0 O8 Zn2 -","- C14 H8 O8 Zn2 -","- C448 H256 O256 Zn64 -","32","1","","Yang, Huajun; Peng, Fang; Dang, Candy; Wang, Yong; Hu, Dandan; Zhao, Xiang; Feng, Pingyun; Bu, Xianhui","Ligand Charge Separation To Build Highly Stable Quasi-Isomer of MOF-74-Zn.","Journal of the American Chemical Society","2019","141","25","9808","9812","10.1021/jacs.9b04432","","","0.71073","MoKα","","0.1059","0.0695","","","0.2016","0.2291","","","","","","1.115","","","","has coordinates","243404","2020-10-21","18:00:00",""
"4133668","22.026","0.004","22.026","0.004","12.068","0.002","90","0.03","90","0.03","120","0.03","5070","2","296","2","296","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C8 H4 N0 O7.75 Zn2 -","- C8 H4 O7.75 Zn2 -","- C96 H48 O93 Zn24 -","12","1","","Yang, Huajun; Peng, Fang; Dang, Candy; Wang, Yong; Hu, Dandan; Zhao, Xiang; Feng, Pingyun; Bu, Xianhui","Ligand Charge Separation To Build Highly Stable Quasi-Isomer of MOF-74-Zn.","Journal of the American Chemical Society","2019","141","25","9808","9812","10.1021/jacs.9b04432","","","0.71073","MoKα","","0.044","0.0396","","","0.1329","0.1358","","","","","","1.233","","","","has coordinates","243405","2020-10-21","18:00:00",""
"4133669","20.15","","20.15","","8.85","","90","","90","","90","","3593.3","","298","","298","","","","","","","","","3","I 41/a :2","-I 4ad","88","","COF-300-V_RT","","- C41 H28 N4 -","- C41 H28 N4 -","- C164 H112 N16 -","4","0.25","","Sun, Tu; Wei, Lei; Chen, Yichong; Ma, Yanhang; Zhang, Yue-Biao","Atomic-Level Characterization of Dynamics of a 3D Covalent Organic Framework by Cryo-Electron Diffraction Tomography.","Journal of the American Chemical Society","2019","141","28","10962","10966","10.1021/jacs.9b04895","","","0.0251","","","0.2952","0.2801","","","0.5713","0.5808","","","","","","1.08","","","","has coordinates","243406","2020-10-21","18:00:00",""
"4133670","27.3","","27.3","","7.7","","90","","90","","90","","5738.73","","77","","77","","","","","","","","","3","I 41/a :2","-I 4ad","88","","COF-300-PMMA_cryo","","- C41 H28 N4 -","- C41 H28 N4 -","- C164 H112 N16 -","4","0.25","","Sun, Tu; Wei, Lei; Chen, Yichong; Ma, Yanhang; Zhang, Yue-Biao","Atomic-Level Characterization of Dynamics of a 3D Covalent Organic Framework by Cryo-Electron Diffraction Tomography.","Journal of the American Chemical Society","2019","141","28","10962","10966","10.1021/jacs.9b04895","","","0.0251","","","0.4084","0.4033","","","0.7484","0.7525","","","","","","1.192","","","","has coordinates","243407","2020-10-21","18:00:00",""
"4133671","20.5","","20.5","","9.1","","90","","90","","90","","3824.27","","77","","77","","","","","","","","","3","I 41/a :2","-I 4ad","88","","COF-300-V_Cryo","","- C41 H28 N4 -","- C41 H28 N4 -","- C164 H112 N16 -","4","0.25","","Sun, Tu; Wei, Lei; Chen, Yichong; Ma, Yanhang; Zhang, Yue-Biao","Atomic-Level Characterization of Dynamics of a 3D Covalent Organic Framework by Cryo-Electron Diffraction Tomography.","Journal of the American Chemical Society","2019","141","28","10962","10966","10.1021/jacs.9b04895","","","0.0251","","","0.3377","0.3175","","","0.619","0.6295","","","","","","1.05","","","","has coordinates","243408","2020-10-21","18:00:00",""
"4133672","19.9","","19.9","","9.3","","90","","90","","90","","3682.89","","77","","77","","","","","","","","","4","I 41/a :2","-I 4ad","88","","COF-300-H2O","","- C41 H36 N4 O4 -","- C41 H36 N4 O4 -","- C164 H144 N16 O16 -","4","0.25","","Sun, Tu; Wei, Lei; Chen, Yichong; Ma, Yanhang; Zhang, Yue-Biao","Atomic-Level Characterization of Dynamics of a 3D Covalent Organic Framework by Cryo-Electron Diffraction Tomography.","Journal of the American Chemical Society","2019","141","28","10962","10966","10.1021/jacs.9b04895","","","0.0251","","","0.3074","0.2911","","","0.6091","0.6187","","","","","","1.052","","","","has coordinates","243409","2020-10-21","18:00:00",""
"4133673","20.2514","0.0002","35.0504","0.0002","42.5407","0.0002","90","","90","","90","","30196.2","0.4","100","2","100","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","HCOF-3","","","- C34 H25 N12 S2 -","- C34 H25 N12 S2 -","- C1088 H800 N384 S64 -","32","1","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","x-ray","0.61992","synchrotron","","0.1723","0.1676","","","0.4469","0.4597","","","","","","2.248","","","","has coordinates,has disorder","243410","2020-10-21","18:00:00",""
"4133674","20.144","0.0003","34.7052","0.0004","42.3035","0.0003","90","","90","","90","","29574.4","0.6","100","2","100","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","P7","","","- C29 H27 N12 S -","- C29 H27 N12 S0.995 -","- C928 H864 N384 S31.84 -","32","1","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","x-ray","0.61992","synchrotron","","0.1489","0.1365","","","0.4046","0.4231","","","","","","1.733","","","","has coordinates,has disorder","243411","2020-10-21","18:00:00",""
"4133675","19.9929","0.0001","34.6322","0.0002","42.3319","0.0002","90","","90","","90","","29310.5","0.3","100","","100","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","P6","","","- C61 H58 N24 S2 -","- C61 H58 N24 S2 -","- C976 H928 N384 S32 -","16","0.5","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","","0.61992","synchrotron","","0.176","0.1708","","","0.482","0.4966","","","","","","2.476","","","","has coordinates,has disorder","243412","2020-10-21","18:00:00",""
"4133676","21.0124","0.0004","35.3974","0.0003","42.5092","0.0002","90","","90","","90","","31617.7","0.7","100","2","100","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","HCOF-2","","","- C33 H26 N12 S2 -","- C33 H26 N12 S2 -","- C1056 H832 N384 S64 -","32","1","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","x-ray","0.61992","synchrotron","","0.1901","0.183","","","0.4531","0.4665","","","","","","2.152","","","","has coordinates,has disorder","243413","2020-10-21","18:00:00",""
"4133677","20.8296","0.0002","35.3105","0.0003","42.4936","0.0002","90","","90","","90","","31254.2","0.4","100","2","100","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","HCOF-4","","","- C30 H25 N12 -","- C29.99 H24.98 N12 -","- C959.68 H799.36 N384 -","32","1","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","x-ray","0.61992","synchrotron","","0.1798","0.1761","","","0.4285","0.4405","","","","","","2.043","","","","has coordinates,has disorder","243414","2020-10-21","18:00:00",""
"4133678","20.5062","0.0013","35.21","0.002","42.652","0.004","90","","90","","90","","30796","4","150","2","150","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","monomer 1","","","- C62 H68 N24 -","- C62 H68 N24 -","- C992 H1088 N384 -","16","0.5","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","","0.71073","MoKα","","0.1047","0.0913","","","0.2578","0.2713","","","","","","1.055","","","","has coordinates,has disorder","243415","2020-10-21","18:00:00",""
"4133679","20.6068","0.0005","35.009","0.001","42.3618","0.001","90","","90","","90","","30560.8","1.4","150","2","150","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C58 H68 N24 -","- C58 H68 N24 -","- C928 H1088 N384 -","16","0.5","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","","1.54178","CuKα","","0.1287","0.0986","","","0.3052","0.3365","","","","","","1.29","","","","has coordinates,has disorder","243416","2020-10-21","18:00:00",""
"4133680","19.6681","0.0012","34.306","0.002","42.246","0.002","90","","90","","90","","28505","3","100","2","100","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","P5","","","- C30 H34 N12 S -","- C30 H34 N12 S -","- C960 H1088 N384 S32 -","32","1","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","","0.71073","MoKα","","0.1482","0.1386","","","0.4079","0.4218","","","","","","1.999","","","","has coordinates","243417","2020-10-21","18:00:00",""
"4133681","14.4278","0.0013","21.935","0.002","14.7814","0.0014","90","","91.076","0.003","90","","4677.1","0.7","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H79 K O2 Si8 -","- C32 H79 K O2 Si8 -","- C128 H316 K4 O8 Si32 -","4","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0296","0.0242","","","0.0552","0.0575","","","","","","1.039","","","","has coordinates","243418","2020-10-21","18:00:00",""
"4133682","9.4966","0.0003","13.7852","0.0005","24.0165","0.0009","90","","90","","90","","3144.06","0.19","100","","100","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H56 Si6 -","- C21 H56 Si6 -","- C84 H224 Si24 -","4","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0259","0.0236","","","0.0572","0.0581","","","","","","1.046","","","","has coordinates","243418","2020-10-21","18:00:00",""
"4133683","12.4962","0.001","14.8445","0.001","17.5284","0.0014","90","","108.895","0.003","90","","3076.3","0.4","100","","100","","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H54 Si6 -","- C21 H54 Si6 -","- C84 H216 Si24 -","4","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0348","0.0282","","","0.0661","0.0692","","","","","","1.037","","","","has coordinates","243418","2020-10-21","18:00:00",""
"4133684","11.883","0.0019","12.9036","0.0019","15.496","0.003","94.596","0.006","105.116","0.005","110.563","0.005","2108.6","0.6","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C32 H72 N2 O Si6 -","- C32 H72 N2 O Si6 -","- C64 H144 N4 O2 Si12 -","2","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0407","0.0358","","","0.092","0.095","","","","","","1.038","","","","has coordinates,has disorder","243418","2020-10-21","18:00:00",""
"4133685","11.3385","0.0004","12.1541","0.0004","16.6351","0.0006","90.739","0.002","97.371","0.002","116.989","0.001","2019.35","0.12","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C32 H74 N2 Si6 -","- C32 H74 N2 Si6 -","- C64 H148 N4 Si12 -","2","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0393","0.0306","","","0.0678","0.0711","","","","","","1.044","","","","has coordinates","243418","2020-10-21","18:00:00",""
"4133686","17.0644","0.0009","10.4534","0.0006","18.0274","0.0009","90","","90","","90","","3215.7","0.3","100","","100","","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C26 H56 N2 O2 Si3 -","- C26 H56 N2 O2 Si3 -","- C104 H224 N8 O8 Si12 -","4","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0376","0.0352","","","0.086","0.0877","","","","","","1.085","","","","has coordinates","243418","2020-10-21","18:00:00",""
"4133687","31.226","0.004","33.796","0.004","12.2692","0.0014","90","","90","","90","","12948","3","100","","100","","","","","","","","see text","3","F d d 2","F 2 -2d","43","","","","- C23 H58 Si6 -","- C23 H58 Si6 -","- C368 H928 Si96 -","16","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0182","0.018","","","0.0484","0.0485","","","","","","1.072","","","","has coordinates","243418","2020-10-21","18:00:00",""
"4133688","13.5965","0.0002","13.5965","0.0002","37.2086","0.0007","90","","90","","90","","6878.56","0.19","90","2","90","2","","","","","","","","7","P 41","P 4w","76","","","","- C78 H78 Al F6 N6 O7 P -","- C78 H78 Al F6 N6 O7 P -","- C312 H312 Al4 F24 N24 O28 P4 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0718","0.0564","","","0.1406","0.1502","","","","","","1.016","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133689","13.5799","0.0003","13.5799","0.0003","37.5593","0.0007","90","","90","","90","","6926.4","0.3","90","2","90","2","","","","","","","","5","P 41","P 4w","76","","","","- C66 H54 Al N6 O4 -","- C66 H54 Al N6 O4 -","- C264 H216 Al4 N24 O16 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0481","0.0438","","","0.1154","0.1182","","","","","","1.047","","","","has coordinates","243419","2020-10-21","18:00:00",""
"4133690","20.9379","0.0006","22.5375","0.0007","15.8419","0.0005","90","","99.1947","0.0017","90","","7379.5","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H94 Al N6 Na3 O9 -","- C86 H94 Al N6 Na3 O9 -","- C344 H376 Al4 N24 Na12 O36 -","4","0.5","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.1058","0.0852","","","0.2432","0.2643","","","","","","1.041","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133691","13.8134","0.0004","31.2138","0.0009","18.4513","0.0006","90","","110.467","0.0017","90","","7453.4","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73.76 H69.52 Cl8 Ga3 N6 O5.94 -","- C73.76 H69.52 Cl8 Ga3 N6 O5.94 -","- C295.04 H278.08 Cl32 Ga12 N24 O23.76 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0697","0.051","","","0.1381","0.1514","","","","","","1.023","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133692","13.6204","0.0004","13.6204","0.0004","37.271","0.0011","90","","90","","90","","6914.3","0.4","100","2","100","2","","","","","","","","7","P 43","P 4cw","78","","","","- C78 H78 F6 Ga N6 O7 P -","- C78 H78 F6 Ga N6 O7 P -","- C312 H312 F24 Ga4 N24 O28 P4 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0588","0.0534","","","0.1387","0.1441","","","","","","1.034","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133693","13.6416","0.0005","13.6416","0.0005","37.5054","0.0014","90","","90","","90","","6979.5","0.4","90","2","90","2","","","","","","","","5","P 43","P 4cw","78","","","","- C82 H86 Ga N6 O8 -","- C82 H86 Ga N6 O8 -","- C328 H344 Ga4 N24 O32 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.065","0.0642","","","0.1701","0.1707","","","","","","1.059","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133694","10.7198","0.0005","15.4675","0.0007","39.951","0.002","90","","90.799","0.004","90","","6623.6","0.5","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C83.36 H72.64 Ga N6 Na O4.32 -","- C83.36 H72.64 Ga N6 Na O4.32 -","- C333.44 H290.56 Ga4 N24 Na4 O17.28 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.1698","0.1284","","","0.3103","0.3455","","","","","","1.019","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133695","13.7314","0.0002","32.7897","0.0006","16.3067","0.0003","90","","96.0838","0.0012","90","","7300.7","0.2","90","2","90","2","","","","","","","","8","I 1 2/m 1","-I 2y","12","","","","- C72 H66 F9 In N6 Na0.5 O6 P1.5 -","- C72 H66 F9 In N6 Na0.5 O6 P1.5 -","- C288 H264 F36 In4 N24 Na2 O24 P6 -","4","0.5","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0856","0.0732","","","0.2068","0.2192","","","","","","1.091","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133696","14.3365","0.0003","16.4783","0.0003","25.0463","0.0004","77.3649","0.001","89.2744","0.0012","84.9715","0.0013","5751.32","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C71.21 H64.71 In N6 O4 -","- C71.215 H64.71 In N6 O4 -","- C284.86 H258.84 In4 N24 O16 -","4","2","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.069","0.0561","","","0.1471","0.1562","","","","","","1.024","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133697","22.1255","0.0013","22.0761","0.0013","15.9027","0.0009","90","","106.087","0.0008","90","","7463.4","0.8","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H62 In N6 Na O5 -","- C70 H62 In N6 Na O5 -","- C280 H248 In4 N24 Na4 O20 -","4","0.5","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","0.71073","MoKα","","0.0553","0.0457","","","0.1152","0.1217","","","","","","1.05","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133698","13.5219","0.0005","16.44","0.0007","21.4566","0.0009","87.446","0.002","79.203","0.002","73.2865","0.0018","4487.2","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H70 Al3 Cl8 N6 O6 -","- C74 H70 Al3 Cl8 N6 O6 -","- C148 H140 Al6 Cl16 N12 O12 -","2","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0874","0.0787","","","0.2099","0.2172","","","","","","1.037","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133699","17.8085","0.0003","11.5261","0.0002","16.7708","0.0002","90","","91.217","0.0007","90","","3441.64","0.09","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 Al Cl2 N3 O2 -","- C39 H33 Al Cl2 N3 O2 -","- C156 H132 Al4 Cl8 N12 O8 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0354","0.0308","","","0.0803","0.0836","","","","","","1.042","","","","has coordinates","243419","2020-10-21","18:00:00",""
"4133700","16.2082","0.0007","16.2082","0.0007","5.791","0.0005","90","","90","","90","","1521.33","0.16","100","2","100","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C32 H32 O8 -","- C32 H32 O8 -","- C64 H64 O16 -","2","0.25","","Joo, Wontae; Wang, Wade; Mesch, Ryan; Matsuzawa, Kensuke; Liu, Di; Willson, C. Grant","Synthesis of Unzipping Polyester and a Study of its Photochemistry.","Journal of the American Chemical Society","2019","141","37","14736","14741","10.1021/jacs.9b06285","","","0.71073","MoKα","","0.157","0.111","","","0.2121","0.2314","","","","","","1.213","","","","has coordinates","243421","2020-10-21","18:00:00",""
"4133701","19.2667","0.0009","11.2967","0.0006","24.8121","0.0012","90","","105.217","0.003","90","","5211","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C49.46 H62.18 B2 F8 Fe N10.73 -","- C49.456 H62.184 B2 F8 Fe N10.728 -","- C197.824 H248.736 B8 F32 Fe4 N42.912 -","4","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.0558","0.0488","","","0.1299","0.1335","","","","","","1.056","","","","has coordinates,has disorder","243422","2020-10-21","18:00:00",""
"4133702","23.4382","0.0016","12.0678","0.0008","19.8297","0.0013","90","","105.17","0.001","90","","5413.3","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 B3 F12 Fe N11 O -","- C48.002 H60.003 B3 F12.009 Fe N11.001 O -","- C192.008 H240.012 B12 F48.036 Fe4 N44.004 O4 -","4","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.0792","0.0574","","","0.1467","0.1599","","","","","","1.058","","","","has coordinates,has disorder","243422","2020-10-21","18:00:00",""
"4133703","16.4129","0.0009","13.8617","0.0007","46.111","0.002","90","","90","","90","","10490.7","0.9","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C45 H57 B2 Cl6 F8 Fe N8 O -","- C45 H57 B2 Cl6 F8 Fe N8 O -","- C360 H456 B16 Cl48 F64 Fe8 N64 O8 -","8","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.1683","0.0776","","","0.1409","0.1744","","","","","","1.014","","","","has coordinates","243422","2020-10-21","18:00:00",""
"4133704","19.1778","0.0012","19.1778","0.0012","9.8155","0.0008","90","","90","","120","","3126.4","0.4","100","2","100","2","","","","","","","","7","P 3","P 3","143","","","","- C42 H51 B F4 Fe N8 O -","- C42 H51 B F4 Fe N8 O -","- C126 H153 B3 F12 Fe3 N24 O3 -","3","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.0472","0.0424","","","0.0955","0.0984","","","","","","1.021","","","","has coordinates","243422","2020-10-21","18:00:00",""
"4133705","18.6911","0.0008","18.6911","0.0008","39.1469","0.0019","90","","90","","120","","11844","0.9","100","2","100","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C44.67 H53.67 B Cl8 F4 Fe N8 O -","- C44.6667 H53.6667 B Cl8 F4 Fe N8 O -","- C402 H483 B9 Cl72 F36 Fe9 N72 O9 -","9","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.1047","0.0765","","","0.1821","0.2002","","","","","","1.034","","","","has coordinates,has disorder","243422","2020-10-21","18:00:00",""
"4133706","12.2658","0.0019","17.831","0.003","17.641","0.003","90","","91.921","0.004","90","","3856.1","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H51 Fe N8 O -","- C42 H51 Fe N8 O -","- C168 H204 Fe4 N32 O4 -","4","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.1013","0.0483","","","0.0821","0.098","","","","","","1.009","","","","has coordinates","243422","2020-10-21","18:00:00",""
"4133707","9.71975","0.00018","31.8436","0.0006","9.22858","0.00017","90","","122.525","0.0007","90","","2408.36","0.08","123","","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Al Br3 N O3 Si -","- C24 H17 Al Br3 N O3 Si -","- C96 H68 Al4 Br12 N4 O12 Si4 -","4","1","","Tanaka, Daiki; Kadonaga, Yuichiro; Manabe, Yoshiyuki; Fukase, Koichi; Sasaya, Shota; Maruyama, Hikaru; Nishimura, Sota; Yanagihara, Mayu; Konishi, Akihito; Yasuda, Makoto","Synthesis of Cage-Shaped Aluminum Aryloxides: Efficient Lewis Acid Catalyst for Stereoselective Glycosylation Driven by Flexible Shift of Four- to Five-Coordination.","Journal of the American Chemical Society","2019","141","44","17466","17471","10.1021/jacs.9b08875","","","1.54187","CuKα","","","0.0316","","","","0.0377","","","","","","1.079","","","","has coordinates","243423","2020-10-21","18:00:00",""
"4133708","32.2397","0.0019","12.9717","0.001","16.1906","0.001","90","","98.752","0.003","90","","6692.1","0.8","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 Al N O3 Si -","- C42 H32 Al N O3 Si -","- C336 H256 Al8 N8 O24 Si8 -","8","1","","Tanaka, Daiki; Kadonaga, Yuichiro; Manabe, Yoshiyuki; Fukase, Koichi; Sasaya, Shota; Maruyama, Hikaru; Nishimura, Sota; Yanagihara, Mayu; Konishi, Akihito; Yasuda, Makoto","Synthesis of Cage-Shaped Aluminum Aryloxides: Efficient Lewis Acid Catalyst for Stereoselective Glycosylation Driven by Flexible Shift of Four- to Five-Coordination.","Journal of the American Chemical Society","2019","141","44","17466","17471","10.1021/jacs.9b08875","","","1.54187","CuKα","","","0.0611","","","","0.0985","","","","","","2.266","","","","has coordinates","243424","2020-10-21","18:00:00",""
"4133709","24.586","0.003","10.5567","0.001","20.865","0.002","90","","90","","90","","5415.4","1","123","","123","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C29 H20 Al Br3 N2 O3 Si -","- C29 H20 Al Br3 N2 O3 Si -","- C232 H160 Al8 Br24 N16 O24 Si8 -","8","2","","Tanaka, Daiki; Kadonaga, Yuichiro; Manabe, Yoshiyuki; Fukase, Koichi; Sasaya, Shota; Maruyama, Hikaru; Nishimura, Sota; Yanagihara, Mayu; Konishi, Akihito; Yasuda, Makoto","Synthesis of Cage-Shaped Aluminum Aryloxides: Efficient Lewis Acid Catalyst for Stereoselective Glycosylation Driven by Flexible Shift of Four- to Five-Coordination.","Journal of the American Chemical Society","2019","141","44","17466","17471","10.1021/jacs.9b08875","","","0.71075","MoKα","","0.1262","0.0699","","","0.1371","0.1594","","","","","","0.999","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4133710","31.9492","0.0011","12.4895","0.0004","16.1636","0.0006","90","","98.3239","0.0019","90","","6381.8","0.4","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 B N O3 Si -","- C42 H32 B N O3 Si -","- C336 H256 B8 N8 O24 Si8 -","8","1","","Tanaka, Daiki; Kadonaga, Yuichiro; Manabe, Yoshiyuki; Fukase, Koichi; Sasaya, Shota; Maruyama, Hikaru; Nishimura, Sota; Yanagihara, Mayu; Konishi, Akihito; Yasuda, Makoto","Synthesis of Cage-Shaped Aluminum Aryloxides: Efficient Lewis Acid Catalyst for Stereoselective Glycosylation Driven by Flexible Shift of Four- to Five-Coordination.","Journal of the American Chemical Society","2019","141","44","17466","17471","10.1021/jacs.9b08875","","","1.54187","CuKα","","","0.0797","","","","0.1528","","","","","","1.194","","","","has coordinates","243426","2020-10-21","18:00:00",""
"4133711","9.0037","0.0003","17.1885","0.0005","15.0515","0.0005","90","","94.761","0.003","90","","2321.33","0.13","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 B Br3 N O3 Si -","- C24 H17 B Br3 N O3 Si -","- C96 H68 B4 Br12 N4 O12 Si4 -","4","1","","Tanaka, Daiki; Kadonaga, Yuichiro; Manabe, Yoshiyuki; Fukase, Koichi; Sasaya, Shota; Maruyama, Hikaru; Nishimura, Sota; Yanagihara, Mayu; Konishi, Akihito; Yasuda, Makoto","Synthesis of Cage-Shaped Aluminum Aryloxides: Efficient Lewis Acid Catalyst for Stereoselective Glycosylation Driven by Flexible Shift of Four- to Five-Coordination.","Journal of the American Chemical Society","2019","141","44","17466","17471","10.1021/jacs.9b08875","","","0.71075","MoKα","","0.043","0.0301","","","0.0564","0.0591","","","","","","1.019","","","","has coordinates","243427","2020-10-21","18:00:00",""
"4133712","8.7733","0.0009","9.6719","0.0011","10.8271","0.0012","66.036","0.005","84.097","0.005","80.862","0.005","828.13","0.16","100","","100","","","","","","","","see text","3","P -1","-P 1","2","","","","- C21 H21 P -","- C21 H21 P -","- C42 H42 P2 -","2","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0477","0.0395","","","0.1007","0.1058","","","","","","1.023","","","","has coordinates","243428","2020-10-21","18:00:00",""
"4133713","9.1563","0.0012","9.899","0.002","13.221","0.003","95.9","0.005","108.6","0.007","95.516","0.005","1119.1","0.4","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C28 H27 O P -","- C28 H27 O P -","- C56 H54 O2 P2 -","2","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0396","0.0358","","","0.0876","0.0901","","","","","","1.049","","","","has coordinates,has disorder","243428","2020-10-21","18:00:00",""
"4133714","10.878","0.0007","20.5915","0.0014","20.3438","0.0013","90","","92.593","0.002","90","","4552.2","0.5","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H75 N3 O2 Si2 -","- C47 H75 N3 O2 Si2 -","- C188 H300 N12 O8 Si8 -","4","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0532","0.0488","","","0.1149","0.1182","","","","","","1.054","","","","has coordinates,has disorder","243428","2020-10-21","18:00:00",""
"4133715","10.6676","0.0008","10.118","0.0009","14.5035","0.0011","90","","93.603","0.003","90","","1562.3","0.2","100","","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 O P -","- C20 H15 O P -","- C80 H60 O4 P4 -","4","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0342","0.0321","","","0.0867","0.0886","","","","","","1.062","","","","has coordinates","243428","2020-10-21","18:00:00",""
"4133716","36.225","0.005","36.225","0.005","34.334","0.005","90","","90","","120","","39019","10","100","","100","","","","","","","","see text","6","R -3 :H","-R 3","148","","","","- C62 H86 N3 O3 P Si2 -","- C62 H86 N3 O3 P Si2 -","- C1116 H1548 N54 O54 P18 Si36 -","18","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.135","0.0813","","","0.2419","0.2755","","","","","","1.041","","","","has coordinates,has disorder","243428","2020-10-21","18:00:00",""
"4133717","12.3115","0.0008","16.7455","0.0012","17.3782","0.0012","83.152","0.003","78.214","0.003","83.253","0.003","3466.2","0.4","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C78 H100 N3 O P Si2 -","- C78 H100 N3 O P Si2 -","- C156 H200 N6 O2 P2 Si4 -","2","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0626","0.0421","","","0.0948","0.1052","","","","","","1.042","","","","has coordinates","243428","2020-10-21","18:00:00",""
"4133718","19.5253","0.0016","11.8248","0.0009","19.9542","0.0016","90","","99.975","0.003","90","","4537.4","0.6","100","","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H71 N3 Si2 -","- C48 H71 N3 Si2 -","- C192 H284 N12 Si8 -","4","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0386","0.0348","","","0.0847","0.0869","","","","","","1.054","","","","has coordinates","243428","2020-10-21","18:00:00",""
"4133719","23.695","0.003","18.5885","0.0019","25.738","0.002","90","","90","","90","","11336","2","100","","100","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C48 H79 N5 Si2 -","- C48 H79 N5 Si2 -","- C384 H632 N40 Si16 -","8","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0466","0.0428","","","0.1062","0.1091","","","","","","1.074","","","","has coordinates","243428","2020-10-21","18:00:00",""
"4133720","9.8772","0.0003","10.1837","0.0003","14.5626","0.0004","104.501","0.003","90.579","0.002","91.309","0.002","1417.58","0.07","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H40 Si6 -","- C22 H40 Si6 -","- C44 H80 Si12 -","2","1","","Marro, Eric A.; Folster, Carlton P.; Press, Eric M.; Im, Hoyeon; Ferguson, John T.; Siegler, Maxime A.; Klausen, Rebekka S.","Stereocontrolled Syntheses of Functionalized <i>cis</i>- and <i>trans</i>-Siladecalins.","Journal of the American Chemical Society","2019","141","44","17926","17936","10.1021/jacs.9b09902","","","0.71073","MoKα","","0.0521","0.0396","","","0.0975","0.1054","","","","","","1.058","","","","has coordinates,has disorder","243429","2020-10-21","18:00:00",""
"4133721","12.1961","0.0003","12.2373","0.0002","18.3114","0.0004","93.9832","0.0017","103.109","0.002","117.474","0.002","2313.09","0.1","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H62 Si10 -","- C38 H62 Si10 -","- C76 H124 Si20 -","2","1","","Marro, Eric A.; Folster, Carlton P.; Press, Eric M.; Im, Hoyeon; Ferguson, John T.; Siegler, Maxime A.; Klausen, Rebekka S.","Stereocontrolled Syntheses of Functionalized <i>cis</i>- and <i>trans</i>-Siladecalins.","Journal of the American Chemical Society","2019","141","44","17926","17936","10.1021/jacs.9b09902","","","0.71073","MoKα","","0.0412","0.0342","","","0.0819","0.0853","","","","","","1.07","","","","has coordinates,has disorder","243430","2020-10-21","18:00:00",""
"4133722","14.3961","0.0005","14.4414","0.0003","27.9432","0.0007","90","","103.685","0.003","90","","5644.5","0.3","110","2","110","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H40 Si6 -","- C22 H40 Si6 -","- C176 H320 Si48 -","8","2","","Marro, Eric A.; Folster, Carlton P.; Press, Eric M.; Im, Hoyeon; Ferguson, John T.; Siegler, Maxime A.; Klausen, Rebekka S.","Stereocontrolled Syntheses of Functionalized <i>cis</i>- and <i>trans</i>-Siladecalins.","Journal of the American Chemical Society","2019","141","44","17926","17936","10.1021/jacs.9b09902","","","0.71073","MoKα","","0.04","0.0355","","","0.0801","0.0827","","","","","","1.027","","","","has coordinates","243431","2020-10-21","18:00:00",""
"4133723","13.7763","0.0006","15.0391","0.0004","16.5372","0.0007","90","","109.983","0.005","90","","3219.9","0.2","110","2","110","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C14 H46 Si10 -","- C14 H46 Si10 -","- C56 H184 Si40 -","4","1","","Marro, Eric A.; Folster, Carlton P.; Press, Eric M.; Im, Hoyeon; Ferguson, John T.; Siegler, Maxime A.; Klausen, Rebekka S.","Stereocontrolled Syntheses of Functionalized <i>cis</i>- and <i>trans</i>-Siladecalins.","Journal of the American Chemical Society","2019","141","44","17926","17936","10.1021/jacs.9b09902","","","0.71073","MoKα","","0.0564","0.0364","","","0.087","0.0972","","","","","","1.044","","","","has coordinates,has disorder","243432","2020-10-21","18:00:00",""
"4133724","25.8095","0.0009","25.8095","0.0009","6.8241","0.0003","90","","90","","120","","3936.7","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","Co2(dobdc)(1-butene)1.59","","","- C14.36 H14.71 Co2 O6 -","- C14.36 H14.72 Co2 O6 -","- C129.24 H132.48 Co18 O54 -","9","0.5","","Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R.","Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites.","Journal of the American Chemical Society","2019","141","45","18325","18333","10.1021/jacs.9b09942","","","0.7749","synchrotron","","0.0465","0.0438","","","0.1235","0.1253","","","","","","1.074","","","","has coordinates","243433","2020-10-21","18:00:00",""
"4133725","25.892","0.004","25.892","0.004","6.848","0.0014","90","","90","","120","","3975.8","1.2","100","2","100","","","","","","","","","4","R -3 :H","-R 3","148","Co2(dobdc)(cis-2-butene)1.6","","","- C14.31 H14.61 Co2 O6 -","- C14.408 H14.816 Co2 O6 -","- C129.672 H133.344 Co18 O54 -","9","0.5","","Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R.","Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites.","Journal of the American Chemical Society","2019","141","45","18325","18333","10.1021/jacs.9b09942","","","0.7288","synchrotron","","0.0671","0.0504","","","0.1096","0.1181","","","","","","1.051","","","","has coordinates,has disorder","243433","2020-10-21","18:00:00",""
"4133726","25.813","0.0011","25.813","0.0011","6.8924","0.0003","90","","90","","120","","3977.2","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","Co2(dobdc)(trans-2-butene)1.48","","","- C13.93 H13.86 Co2 O6 -","- C13.928 H13.856 Co2 O6 -","- C125.352 H124.704 Co18 O54 -","9","0.5","","Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R.","Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites.","Journal of the American Chemical Society","2019","141","45","18325","18333","10.1021/jacs.9b09942","","","0.7749","synchrotron","","0.0551","0.0455","","","0.1188","0.1236","","","","","","1.052","","","","has coordinates","243433","2020-10-21","18:00:00",""
"4133727","25.982","0.001","25.982","0.001","6.8437","0.0005","90","","90","","120","","4001","0.4","250","","250","","","","","","","","","4","R 3 m :H","R 3 -2""","160","Co2mdobdc_1C4H8","","","- C7.28 H7.56 Co O3 -","- C7.78 H7.56 Co O3 -","- C140.04 H136.08 Co18 O54 -","18","1","","Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R.","Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites.","Journal of the American Chemical Society","2019","141","45","18325","18333","10.1021/jacs.9b09942","powder diffraction","x-ray","0.45415","synchrotron","","","","","","","","","0.032","4.053","","","","","","","has coordinates","243433","2020-10-21","18:00:00",""
"4133728","26.089","0.003","26.089","0.003","6.8483","0.0008","90","","90","","120","","4036.7","0.8","125","","125","","","","","","","","","4","R 3 m :H","R 3 -2""","160","Co2mdobdc_cisC4H8_1p5","","","- C8.17 H8.28 Co O3 -","- C9.17 H8.78 Co O3 -","- C165.06 H158.04 Co18 O54 -","18","1","","Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R.","Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites.","Journal of the American Chemical Society","2019","141","45","18325","18333","10.1021/jacs.9b09942","powder diffraction","x-ray","0.45411","synchrotron","","","","","","","","","0.031","2.85","","","","","","","has coordinates","243433","2020-10-21","18:00:00",""
"4133729","38.1427","0.0019","38.1427","0.0019","13.6269","0.0007","90","","90","","90","","19825.3","1.7","100","2","100","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C11.25 H10.66 Mn0.5 Mo3 N O12 -","- C11.25 H10.5 Mn0.5 Mo3 N O12 -","- C180 H168 Mn8 Mo48 N16 O192 -","16","1","","Xu, Wentao; Pei, Xiaokun; Diercks, Christian S.; Lyu, Hao; Ji, Zhe; Yaghi, Omar M.","A Metal-Organic Framework of Organic Vertices and Polyoxometalate Linkers as a Solid-State Electrolyte.","Journal of the American Chemical Society","2019","141","44","17522","17526","10.1021/jacs.9b10418","","x-ray","0.7288","synchrotron","","0.079","0.0737","","","0.2282","0.2369","","","","","","1.059","","","","has coordinates,has disorder","243434","2020-10-21","18:00:00",""
"4133730","9.3832","0.0001","20.3013","0.0003","13.4142","0.0002","90","","103.829","0.001","90","","2481.22","0.06","225","2","225","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cl2 F10 N2 Ni O3 S -","- C19 H18 Cl2 F10 N2 Ni O3 S -","- C76 H72 Cl8 F40 N8 Ni4 O12 S4 -","4","1","","Roberts, Courtney C.; Chong, Eugene; Kampf, Jeff W.; Canty, Allan J.; Ariafard, Alireza; Sanford, Melanie S.","Nickel(II/IV) Manifold Enables Room-Temperature C(sp3)‒H Functionalization","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11999","","","1.54184","CuKα","","0.0547","0.0539","","","0.1341","0.1354","","","","","","1.097","","","","has coordinates,has disorder","243740","2020-10-21","18:00:00",""
"4133731","18.5124","0.0003","12.35978","0.00012","16.538","0.0002","90","","115.122","0.002","90","","3426.1","0.1","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl F7 N2 Ni -","- C17 H16 Cl F7 N2 Ni -","- C136 H128 Cl8 F56 N16 Ni8 -","8","2","","Roberts, Courtney C.; Chong, Eugene; Kampf, Jeff W.; Canty, Allan J.; Ariafard, Alireza; Sanford, Melanie S.","Nickel(II/IV) Manifold Enables Room-Temperature C(sp3)‒H Functionalization","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11999","","","1.54184","CuKα","","0.0386","0.0382","","","0.1099","0.1103","","","","","","1.079","","","","has coordinates","243741","2020-10-21","18:00:00",""
"4133732","10.0599","0.0003","10.1627","0.0003","17.7842","0.0004","98.804","0.002","99.219","0.002","91.664","0.002","1770.87","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 F7 N2 Ni -","- C17 H17 F7 N2 Ni -","- C68 H68 F28 N8 Ni4 -","4","2","","Roberts, Courtney C.; Chong, Eugene; Kampf, Jeff W.; Canty, Allan J.; Ariafard, Alireza; Sanford, Melanie S.","Nickel(II/IV) Manifold Enables Room-Temperature C(sp3)‒H Functionalization","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11999","","","1.54184","CuKα","","0.0618","0.0593","","","0.1608","0.164","","","","","","1.074","","","","has coordinates","243742","2020-10-21","18:00:00",""
"4133733","10.1598","0.0004","12.5223","0.0005","14.8714","0.0004","103.369","0.003","90.992","0.002","111.482","0.003","1701.95","0.12","225","2","225","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 F8 N2 Ni -","- C17 H16 F8 N2 Ni -","- C68 H64 F32 N8 Ni4 -","4","2","","Roberts, Courtney C.; Chong, Eugene; Kampf, Jeff W.; Canty, Allan J.; Ariafard, Alireza; Sanford, Melanie S.","Nickel(II/IV) Manifold Enables Room-Temperature C(sp3)‒H Functionalization","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11999","","","1.54184","CuKα","","0.0751","0.0664","","","0.1719","0.1772","","","","","","1.005","","","","has coordinates","243743","2020-10-21","18:00:00",""
"4133734","13.6454","0.0005","15.2125","0.0005","19.0933","0.0007","76.314","0.001","74.233","0.001","76.513","0.001","3645","0.2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C146 H242 Li4 O2 Si10 -","- C146 H242 Li4 O2 Si10 -","- C146 H242 Li4 O2 Si10 -","1","0.5","","Heider, Yannic; Willmes, Philipp; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Boron and phosphorus containing heterosiliconoids: stable p- and n-doped unsaturated silicon clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11181","","","1.54178","CuKα","","0.0582","0.0544","","","0.1504","0.1548","","","","","","1.049","","","","has coordinates,has disorder","243794","2020-10-21","18:00:00",""
"4133735","24.7021","0.0009","27.0801","0.0008","24.4934","0.0007","90","","113.369","0.0015","90","","15040.4","0.8","142","2","142","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C71 H122 Si7 -","- C71 H122 Si7 -","- C568 H976 Si56 -","8","2","","Heider, Yannic; Willmes, Philipp; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Boron and phosphorus containing heterosiliconoids: stable p- and n-doped unsaturated silicon clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11181","","","0.71073","MoKα","","0.152","0.0739","","","0.1395","0.1733","","","","","","1.024","","","","has coordinates,has disorder","243795","2020-10-21","18:00:00",""
"4133736","20.5557","0.0011","13.3994","0.001","24.2831","0.0017","90","","90.261","0.002","90","","6688.3","0.8","142","2","142","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H106 N P Si5 -","- C66 H106 N P Si5 -","- C264 H424 N4 P4 Si20 -","4","1","","Heider, Yannic; Willmes, Philipp; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Boron and phosphorus containing heterosiliconoids: stable p- and n-doped unsaturated silicon clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11181","","","0.71073","MoKα","","0.1617","0.0776","","","0.1784","0.2022","","","","","","1.383","","","","has coordinates,has disorder","243796","2020-10-21","18:00:00",""
"4133737","13.5006","0.0006","13.5798","0.0006","18.9871","0.0008","98.387","0.002","92.938","0.002","106.305","0.002","3289.7","0.3","132","2","132","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H106 B N Si5 -","- C66 H106 B N Si5 -","- C132 H212 B2 N2 Si10 -","2","1","","Heider, Yannic; Willmes, Philipp; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Boron and phosphorus containing heterosiliconoids: stable p- and n-doped unsaturated silicon clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11181","","","0.71073","MoKα","","0.0527","0.0373","","","0.0889","0.0965","","","","","","1.028","","","","has coordinates","243797","2020-10-21","18:00:00",""
"4133738","16.003","0.0011","29.9444","0.0019","31.757","0.002","107.539","0.003","97.162","0.003","93.935","0.003","14306.3","1.6","152","2","152","2","","","","","","","","5","P -1","-P 1","2","","","","- C138.75 H223.75 Li4 O3 Si10 -","- C138.75 H223.75 Li4 O3 Si10 -","- C555 H895 Li16 O12 Si40 -","4","2","","Heider, Yannic; Willmes, Philipp; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Boron and phosphorus containing heterosiliconoids: stable p- and n-doped unsaturated silicon clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11181","","","0.71073","MoKα","","0.1407","0.0716","","","0.1646","0.1988","","","","","","1.019","","","","has coordinates,has disorder","243798","2020-10-21","18:00:00",""
"4133739","13.6082","0.0002","15.8839","0.0003","35.5338","0.0006","90","","90","","90","","7680.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C79 H50 Al2 F24 O4 -","- C79 H50 Al2 F24 O4 -","- C316 H200 Al8 F96 O16 -","4","1","","Lebedev, Yury N.; Polishchuk, Iuliia; Maity, Bholanath; Cavallo, Luigi; Rueping, Magnus","Asymmetric Hydroboration of Heteroaryl Ketones by Aluminum Catalysis.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10364","","","0.71073","MoKα","","0.0889","0.0712","","","0.1918","0.2033","","","","","","1.098","","","","has coordinates,has disorder","243799","2020-10-21","18:00:00",""
"4133740","8.2054","0.0005","22.5851","0.0016","26.1244","0.0015","90","","90","","90","","4841.4","0.5","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54.5 H39 Al Cl F12 N O4 -","- C54.5 H39 Al Cl F12 N O4 -","- C218 H156 Al4 Cl4 F48 N4 O16 -","4","1","","Lebedev, Yury N.; Polishchuk, Iuliia; Maity, Bholanath; Cavallo, Luigi; Rueping, Magnus","Asymmetric Hydroboration of Heteroaryl Ketones by Aluminum Catalysis.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10364","","","0.71073","MoKα","","0.1562","0.0985","","","0.2511","0.2991","","","","","","1.036","","","","has coordinates,has disorder","243800","2020-10-21","18:00:00",""
"4133741","14.3514","0.001","13.1538","0.0009","14.7984","0.001","90","","102.465","0.003","90","","2727.7","0.3","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H20 B N O3 -","- C13 H20 B N O3 -","- C104 H160 B8 N8 O24 -","8","4","","Lebedev, Yury N.; Polishchuk, Iuliia; Maity, Bholanath; Cavallo, Luigi; Rueping, Magnus","Asymmetric Hydroboration of Heteroaryl Ketones by Aluminum Catalysis.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10364","","","0.71073","MoKα","","0.0793","0.0567","","","0.131","0.1444","","","","","","1.025","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4133742","11.504","0.004","12.022","0.004","35.623","0.012","90","","98.963","0.004","90","","4867","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H62 N8 O25 V8 -","- C16 H52 N8 O25 V8 -","- C64 H208 N32 O100 V32 -","4","1","","Cao, Jia-Peng; Xue, Yun-Shan; Li, Ning-Fang; Gong, Jun-Jie; Kang, Run-Kun; Xu, Yan","LA Dominant Windmill-Shaped V8 Clusters: A Bifunctional Heter-ogeneous Catalyst for CO2 Cycloaddition and Oxidation of Sulfides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11146","","","0.71073","MoKα","","0.1022","0.0709","","","0.1818","0.1957","","","","","","1.054","","","","has coordinates","244862","2020-10-21","18:00:00",""
"4133743","20.2406","0.0014","11.0849","0.0008","17.9819","0.0013","90","","91.13","0.001","90","","4033.7","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H60 N8 O21 V8 -","- C17 H60 N8 O21 V8 -","- C68 H240 N32 O84 V32 -","4","1","","Cao, Jia-Peng; Xue, Yun-Shan; Li, Ning-Fang; Gong, Jun-Jie; Kang, Run-Kun; Xu, Yan","LA Dominant Windmill-Shaped V8 Clusters: A Bifunctional Heter-ogeneous Catalyst for CO2 Cycloaddition and Oxidation of Sulfides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11146","","","0.71073","MoKα","","0.0313","0.0255","","","0.0673","0.0699","","","","","","1.057","","","","has coordinates,has disorder","244863","2020-10-21","18:00:00",""
"4133744","14.2","0.007","14.687","0.007","16.06","0.008","63.058","0.005","86.238","0.005","87.833","0.005","2979","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H92 N8 O28 V8 -","- C33 H64 N8 O28 V8 -","- C66 H128 N16 O56 V16 -","2","1","","Cao, Jia-Peng; Xue, Yun-Shan; Li, Ning-Fang; Gong, Jun-Jie; Kang, Run-Kun; Xu, Yan","LA Dominant Windmill-Shaped V8 Clusters: A Bifunctional Heter-ogeneous Catalyst for CO2 Cycloaddition and Oxidation of Sulfides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11146","","","0.71073","MoKα","","0.1462","0.0975","","","0.2715","0.2981","","","","","","1.073","","","","has coordinates","244864","2020-10-21","18:00:00",""
"4133745","10.86","0.003","10.943","0.003","18.188","0.005","106.159","0.003","98.602","0.003","91.609","0.003","2047.2","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H60 N8 O24 V8 -","- C16 H57.564 N8 O24 V8 -","- C32 H115.128 N16 O48 V16 -","2","1","","Cao, Jia-Peng; Xue, Yun-Shan; Li, Ning-Fang; Gong, Jun-Jie; Kang, Run-Kun; Xu, Yan","LA Dominant Windmill-Shaped V8 Clusters: A Bifunctional Heter-ogeneous Catalyst for CO2 Cycloaddition and Oxidation of Sulfides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11146","","","0.71073","MoKα","","0.0721","0.0605","","","0.1666","0.1717","","","","","","1.1","","","","has coordinates,has disorder","244865","2020-10-21","18:00:00",""
"4133746","11.1917","0.0005","12.996","0.0006","14.8015","0.0007","91.307","0.002","93.718","0.002","91.239","0.002","2147.17","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H56 Au Cl3 N2 O -","- C48 H56 Au Cl3 N2 O -","- C96 H112 Au2 Cl6 N4 O2 -","2","1","","Leung, Ming-Yi; Leung, Sammual Yu-Lut; Yim, King-Chin; Chan, Alan Kwun-Wa; Ng, Maggie; Yam, Vivian Wing-Wah","Multiresponsive Luminescent Cationic Cyclometalated Gold(III) Amphiphiles and Their Supramolecular Assembly.","Journal of the American Chemical Society","2019","141","49","19466","19478","10.1021/jacs.9b10607","","","0.71073","MoKα","","0.0414","0.0404","","","0.1159","0.1174","","","","","","1.095","","","","has coordinates,has disorder","246565","2020-10-21","18:00:00",""
"4133747","8.3336","0.0004","9.1601","0.0004","19.8551","0.0009","92.442","0.001","99.223","0.001","98.617","0.001","1475.74","0.12","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H29 Au F3 N3 O3 S -","- C32 H29 Au F3 N3 O3 S -","- C64 H58 Au2 F6 N6 O6 S2 -","2","1","","Leung, Ming-Yi; Leung, Sammual Yu-Lut; Yim, King-Chin; Chan, Alan Kwun-Wa; Ng, Maggie; Yam, Vivian Wing-Wah","Multiresponsive Luminescent Cationic Cyclometalated Gold(III) Amphiphiles and Their Supramolecular Assembly.","Journal of the American Chemical Society","2019","141","49","19466","19478","10.1021/jacs.9b10607","","x-ray","0.71073","MoKα","","0.0161","0.0153","","","0.0379","0.0385","","","","","","1.047","","","","has coordinates","246565","2020-10-21","18:00:00",""
"4133748","10.4083","0.0001","11.2812","0.0001","33.5735","0.0002","90","","90","","90","","3942.14","0.06","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H54 N O P S -","- C48 H54 N O P S -","- C192 H216 N4 O4 P4 S4 -","4","1","","Zhu, Chenghao; Chu, Haoke; Li, Gen; Ma, Shengming; Zhang, Junliang","Pd-Catalyzed Enantioselective Heck Reaction of Aryl Triflates and Alkynes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10883","","x-ray","1.54184","CuKα","","0.0258","0.0253","","","0.0622","0.0625","","","","","","1.03","","","","has coordinates","244868","2020-10-21","18:00:00",""
"4133749","6.3651","0.0002","18.5633","0.0007","19.196","0.0008","90","","90","","90","","2268.15","0.15","179.99","0.17","179.99","0.17","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 O3 -","- C27 H32 O3 -","- C108 H128 O12 -","4","1","","Kong, Lingran; Su, Fan; Yu, Hang; Jiang, Zhe; Lu, Yandong; Luo, Tuoping","Total Synthesis of (-)-Oridonin: An Interrupted Nazarov Approach.","Journal of the American Chemical Society","2019","141","51","20048","20052","10.1021/jacs.9b12034","","x-ray","0.71073","MoKα","","0.0851","0.0623","","","0.1457","0.1571","","","","","","1.032","","","","has coordinates,has disorder","246546","2020-10-21","18:00:00",""
"4133750","9.9501","0.0001","16.1588","0.0002","17.0386","0.0002","90","","90","","90","","2739.49","0.05","180","0.1","180","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 O3 -","- C33 H40 O3 -","- C132 H160 O12 -","4","1","","Kong, Lingran; Su, Fan; Yu, Hang; Jiang, Zhe; Lu, Yandong; Luo, Tuoping","Total Synthesis of (-)-Oridonin: An Interrupted Nazarov Approach.","Journal of the American Chemical Society","2019","141","51","20048","20052","10.1021/jacs.9b12034","","x-ray","1.54184","CuKα","","0.0343","0.0327","","","0.0879","0.0899","","","","","","1.049","","","","has coordinates","246546","2020-10-21","18:00:00",""
"4133751","9.4175","0.0002","12.3116","0.0002","12.9079","0.0002","90","","96.017","0.002","90","","1488.35","0.05","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H43 Br O4 -","- C35 H43 Br O4 -","- C70 H86 Br2 O8 -","2","1","","Kong, Lingran; Su, Fan; Yu, Hang; Jiang, Zhe; Lu, Yandong; Luo, Tuoping","Total Synthesis of (-)-Oridonin: An Interrupted Nazarov Approach.","Journal of the American Chemical Society","2019","141","51","20048","20052","10.1021/jacs.9b12034","","x-ray","0.71073","MoKα","","0.029","0.0264","","","0.0628","0.0637","","","","","","1.013","","","","has coordinates","246546","2020-10-21","18:00:00",""
"4133752","6.1346","0.0004","22.0981","0.0011","7.4304","0.0004","90","","111.029","0.007","90","","940.2","0.1","179.99","0.1","179.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C40 H64 O6 -","2","1","","Kong, Lingran; Su, Fan; Yu, Hang; Jiang, Zhe; Lu, Yandong; Luo, Tuoping","Total Synthesis of (-)-Oridonin: An Interrupted Nazarov Approach.","Journal of the American Chemical Society","2019","141","51","20048","20052","10.1021/jacs.9b12034","","x-ray","0.71073","MoKα","","0.0432","0.0369","","","0.0879","0.0912","","","","","","1.036","","","","has coordinates","246546","2020-10-21","18:00:00",""
"4133753","10.7367","0.0004","22.948","0.0006","34.1561","0.001","90","","90","","90","","8415.6","0.5","180","0.1","180","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 O3 -","- C34 H42 O3 -","- C408 H504 O36 -","12","3","","Kong, Lingran; Su, Fan; Yu, Hang; Jiang, Zhe; Lu, Yandong; Luo, Tuoping","Total Synthesis of (-)-Oridonin: An Interrupted Nazarov Approach.","Journal of the American Chemical Society","2019","141","51","20048","20052","10.1021/jacs.9b12034","","x-ray","0.71073","MoKα","","0.0711","0.0476","","","0.1143","0.1252","","","","","","1.012","","","","has coordinates","246546","2020-10-21","18:00:00",""
"4133754","10.3376","0.0004","22.9642","0.001","19.6707","0.0008","90","","98.225","0.002","90","","4621.7","0.3","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 Cl3 N O2 P2 Re -","- C17 H31 Cl3 N O2 P2 Re -","- C136 H248 Cl24 N8 O16 P16 Re8 -","8","2","","Bruch, Quinton J.; Connor, Gannon P.; Chen, Chun-Hsing; Holland, Patrick L.; Mayer, James M.; Hasanayn, Faraj; Miller, Alexander J. M.","Dinitrogen Reduction to Ammonium at Rhenium Utilizing Light and Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10031","","","1.54178","CuKα","","0.0393","0.0316","","","0.0685","0.0713","","","","","","1.122","","","","has coordinates,has disorder","245104","2020-10-21","18:00:00",""
"4133755","10.3017","0.0001","18.1366","0.0003","22.0765","0.0003","90","","90.248","0.001","90","","4124.69","0.1","100","2","100.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H61 Cl3 Co N O2 P2 Re -","- C37 H61 Cl3 Co N O2 P2 Re -","- C148 H244 Cl12 Co4 N4 O8 P8 Re4 -","4","1","","Bruch, Quinton J.; Connor, Gannon P.; Chen, Chun-Hsing; Holland, Patrick L.; Mayer, James M.; Hasanayn, Faraj; Miller, Alexander J. M.","Dinitrogen Reduction to Ammonium at Rhenium Utilizing Light and Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10031","","","1.54178","CuKα","","0.0332","0.028","","","0.0636","0.0658","","","","","","1.029","","","","has coordinates,has disorder","245104","2020-10-21","18:00:00",""
"4133756","17.3593","0.0002","16.8784","0.0002","15.7289","0.0002","90","","99.335","0.001","90","","4547.49","0.1","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 Cl2 N2 O2 P2 Re -","- C17 H31 Cl2 N2 O2 P2 Re -","- C136 H248 Cl16 N16 O16 P16 Re8 -","8","2","","Bruch, Quinton J.; Connor, Gannon P.; Chen, Chun-Hsing; Holland, Patrick L.; Mayer, James M.; Hasanayn, Faraj; Miller, Alexander J. M.","Dinitrogen Reduction to Ammonium at Rhenium Utilizing Light and Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10031","","","1.54178","CuKα","","0.0349","0.0338","","","0.0729","0.0734","","","","","","1.229","","","","has coordinates","245104","2020-10-21","18:00:00",""
"4133757","19.8067","0.0004","10.1615","0.0002","22.612","0.0005","90","","99.1846","0.0009","90","","4492.67","0.16","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H62 Cl4 N4 O4 P4 Re2 -","- C34 H62 Cl4 N4 O4 P4 Re2 -","- C136 H248 Cl16 N16 O16 P16 Re8 -","4","0.5","","Bruch, Quinton J.; Connor, Gannon P.; Chen, Chun-Hsing; Holland, Patrick L.; Mayer, James M.; Hasanayn, Faraj; Miller, Alexander J. M.","Dinitrogen Reduction to Ammonium at Rhenium Utilizing Light and Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10031","","","1.54178","CuKα","","0.0526","0.0505","","0.1159","0.1143","0.1159","","","","","","1.0074","","","","has coordinates,has disorder","245104","2020-10-21","18:00:00",""
"4133758","18.2061","0.0003","13.5815","0.0002","20.4559","0.0004","90","","104.838","0.001","90","","4889.38","0.15","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H66 Cl4 N4 O4 P4 Re2 -","- C37.5 H66 Cl4 N4 O4 P4 Re2 -","- C150 H264 Cl16 N16 O16 P16 Re8 -","4","1","","Bruch, Quinton J.; Connor, Gannon P.; Chen, Chun-Hsing; Holland, Patrick L.; Mayer, James M.; Hasanayn, Faraj; Miller, Alexander J. M.","Dinitrogen Reduction to Ammonium at Rhenium Utilizing Light and Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10031","","","1.5418","CuKα","","0.0389","0.0312","","0.075","0.0717","0.075","","","","","","1.0199","","","","has coordinates","245104","2020-10-21","18:00:00",""
"4133759","8.97867","0.00005","20.51133","0.00008","13.55182","0.00006","90","","91.3811","0.0004","90","","2495.04","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 O4.5 P2 -","- C28 H29 O4.5 P2 -","- C112 H116 O18 P8 -","4","2","","Dai, Qiang; Li, Wenbo; Li, Zhiming; Zhang, Junliang","P-Chiral Phosphines Enabled by Palladium/Xiao-Phos-Catalyzed Asymmetric P-C Cross-Coupling of Secondary Phosphine Oxides and Aryl Bromides.","Journal of the American Chemical Society","2019","141","51","20556","20564","10.1021/jacs.9b11938","","x-ray","1.54184","CuKα","","0.0229","0.0226","","","0.0583","0.0584","","","","","","1.024","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4133760","16.5166","0.0001","10.2647","0.0001","25.2392","0.0002","90","","103.904","0.001","90","","4153.63","0.06","100.01","0.11","100.01","0.11","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C72 H88 Cl2 N2 O2 P2 Pd S2 -","- C72 H88 Cl2 N2 O2 P2 Pd S2 -","- C144 H176 Cl4 N4 O4 P4 Pd2 S4 -","2","1","","Dai, Qiang; Li, Wenbo; Li, Zhiming; Zhang, Junliang","P-Chiral Phosphines Enabled by Palladium/Xiao-Phos-Catalyzed Asymmetric P-C Cross-Coupling of Secondary Phosphine Oxides and Aryl Bromides.","Journal of the American Chemical Society","2019","141","51","20556","20564","10.1021/jacs.9b11938","","x-ray","1.54184","CuKα","","0.0478","0.0464","","","0.1155","0.1166","","","","","","1.085","","","","has coordinates","246548","2020-10-21","18:00:00",""
"4133761","9.2264","0.0004","9.8051","0.0004","12.0617","0.0006","112.12","0.002","103.086","0.002","101.278","0.002","935.71","0.08","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H28 B Cl O2 -","- C18 H28 B Cl O2 -","- C36 H56 B2 Cl2 O4 -","2","1","","Campbell, Mark W.; Compton, Jordan S.; Kelly, Christopher B.; Molander, Gary A.","Three-Component Olefin Dicarbofunctionalization Enabled by Nickel/Photoredox Dual Catalysis.","Journal of the American Chemical Society","2019","141","51","20069","20078","10.1021/jacs.9b08282","","","0.71073","MoKα","","0.0751","0.0613","","","0.1682","0.1802","","","","","","1.03","","","","has coordinates,has disorder","246549","2020-10-21","18:00:00",""
"4133762","11.9599","0.0006","13.0727","0.0006","14.6426","0.0007","106.075","0.002","108.081","0.002","102.136","0.002","1978.23","0.17","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H59 B2 Cl2 N O8 S -","- C37 H59 B2 Cl2 N O8 S -","- C74 H118 B4 Cl4 N2 O16 S2 -","2","1","","Campbell, Mark W.; Compton, Jordan S.; Kelly, Christopher B.; Molander, Gary A.","Three-Component Olefin Dicarbofunctionalization Enabled by Nickel/Photoredox Dual Catalysis.","Journal of the American Chemical Society","2019","141","51","20069","20078","10.1021/jacs.9b08282","","","0.71073","MoKα","","0.0489","0.0374","","","0.0799","0.0856","","","","","","1.037","","","","has coordinates","246549","2020-10-21","18:00:00",""
"4133763","11.4834","0.0008","13.1501","0.0009","14.4544","0.001","72.64","0.002","89.929","0.002","77.252","0.002","2027.1","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C77 H54 F32 Ir2 N8 O3 P2 -","- C77 H54 F32 Ir2 N8 O3 P2 -","- C77 H54 F32 Ir2 N8 O3 P2 -","1","0.5","","Campbell, Mark W.; Compton, Jordan S.; Kelly, Christopher B.; Molander, Gary A.","Three-Component Olefin Dicarbofunctionalization Enabled by Nickel/Photoredox Dual Catalysis.","Journal of the American Chemical Society","2019","141","51","20069","20078","10.1021/jacs.9b08282","","","0.71073","MoKα","","0.0532","0.0478","","","0.1216","0.1246","","","","","","1.275","","","","has coordinates","246549","2020-10-21","18:00:00",""
"4133764","8.5727","0.0008","16.9926","0.0015","23.2758","0.0018","71.52","0.004","84.686","0.004","76.424","0.004","3125.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H37 B N Ti -","- C20.9997 H36.9977 B0.999667 N0.999667 Ti -","- C125.998 H221.986 B5.998 N5.998 Ti6 -","6","3","","LaPierre, Etienne A.; Patrick, Brian O.; Manners, Ian","Trivalent Titanocene Alkyls and Hydrides as Well-Defined, Highly Active, and Broad Scope Precatalysts for Dehydropolymerization of Amine-Boranes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11112","","x-ray","0.71073","MoKα","","0.1126","0.0658","","","0.1362","0.1667","","","","","","1.074","","","","has coordinates,has disorder","245110","2020-10-21","18:00:00",""
"4133765","43.5489","0.0003","43.5489","0.0003","43.5489","0.0003","90","","90","","90","","82590.8","1","100","0.1","100","0.1","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C13 H8 Cu N9 O4 Zn2 -","- C13 H8 Cu N9 O4 Zn2 -","- C1248 H768 Cu96 N864 O384 Zn192 -","96","0.5","","Zeng, Heng; Xie, Xiao-Jing; Xie, Mo; Huang, Yong-Liang; Luo, Dong; Wang, Ting; Zhao, Yifang; Lu, Weigang; Li, Dan","Cage-Interconnected Metal-Organic Framework with Tailored Apertures for Efficient C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub> Separation under Humid Conditions.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10923","","x-ray","1.54184","CuKα","","0.0652","0.05","","","0.1279","0.1347","","","","","","1.073","","","","has coordinates,has disorder","245111","2020-10-21","18:00:00",""
"4133766","43.54745","0.00012","43.54745","0.00012","43.54745","0.00012","90","","90","","90","","82582.5","0.4","100","0.11","100","0.11","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C16 H15 Cu3 N10 O5 -","- C16 H15 Cu3 N10 O5 -","- C1536 H1440 Cu288 N960 O480 -","96","0.5","","Zeng, Heng; Xie, Xiao-Jing; Xie, Mo; Huang, Yong-Liang; Luo, Dong; Wang, Ting; Zhao, Yifang; Lu, Weigang; Li, Dan","Cage-Interconnected Metal-Organic Framework with Tailored Apertures for Efficient C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub> Separation under Humid Conditions.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10923","","x-ray","1.54184","CuKα","","0.0504","0.0474","","","0.1349","0.1377","","","","","","1.029","","","","has coordinates,has disorder","245111","2020-10-21","18:00:00",""
"4133767","20.566","0.0007","22.9402","0.0008","23.6774","0.0009","71.31","0.001","65.059","0.001","68.595","0.002","9245","0.6","150","2","150","2","","","","","","","synthesis as described","9","P -1","-P 1","2","","","","- C147 H102 F27 N2 O6 P4 Ru S6 Yb -","- C147 H102 F27 N2 O6 P4 Ru S6 Yb -","- C294 H204 F54 N4 O12 P8 Ru2 S12 Yb2 -","2","1","","Al Sabea, Hassan; Norel, Lucie; Galangau, Olivier; Hijazi, Hussein; Métivier, Remi; Roisnel, Thierry; Maury, Olivier; Bucher, Christophe; Riobé, François; Rigaut, Stéphane","Dual Light and Redox Control of NIR Luminescence with Complementary Photochromic and Organometallic Antennae.","Journal of the American Chemical Society","2019","141","51","20026","20030","10.1021/jacs.9b11318","","x-ray","0.71073","MoKα","","0.1009","0.0682","","","0.1599","0.1898","","","","","","1.045","","","","has coordinates","246551","2020-10-21","18:00:00",""
"4133768","17.598","0.0005","16.9502","0.0005","26.7945","0.0007","90","","106.438","0.001","90","","7665.8","0.4","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C128 H53 N4 Ni S2 U2 -","- C128 H53 N4 Ni S2 U2.0261 -","- C512 H212 N16 Ni4 S8 U8.1044 -","4","1","","Zhuang, Jiaxin; Abella, Laura; Sergentu, Dumitru-Claudiu; Yao, Yang-Rong; Jin, Meihe; Yang, Wei; Zhang, Xingxing; Li, Xiaomeng; Zhang, Duo; Zhao, Yiming; Li, Xiaohong; Wang, Shuao; Echegoyen, Luis; Autschbach, Jochen; Chen, Ning","Diuranium(IV) Carbide Cluster U<sub>2</sub>C<sub>2</sub> Stabilized Inside Fullerene Cages.","Journal of the American Chemical Society","2019","141","51","20249","20260","10.1021/jacs.9b10247","","","0.82653","synchrotron","","0.0655","0.0626","","","0.183","0.1864","","","","","","1.033","","","","has coordinates","246552","2020-10-21","18:00:00",""
"4133769","17.6747","0.0015","16.8738","0.0011","26.3272","0.0015","90","","106.042","0.007","90","","7546.1","1","113","2","112.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H53 N4 Ni S2 U1.92 -","- C126 H53 N4 Ni S2 U1.9249 -","- C504 H212 N16 Ni4 S8 U7.6996 -","4","1","","Zhuang, Jiaxin; Abella, Laura; Sergentu, Dumitru-Claudiu; Yao, Yang-Rong; Jin, Meihe; Yang, Wei; Zhang, Xingxing; Li, Xiaomeng; Zhang, Duo; Zhao, Yiming; Li, Xiaohong; Wang, Shuao; Echegoyen, Luis; Autschbach, Jochen; Chen, Ning","Diuranium(IV) Carbide Cluster U<sub>2</sub>C<sub>2</sub> Stabilized Inside Fullerene Cages.","Journal of the American Chemical Society","2019","141","51","20249","20260","10.1021/jacs.9b10247","","","1.54178","CuKα","","0.0772","0.0741","","","0.2025","0.2055","","","","","","1.031","","","","has coordinates,has disorder","246552","2020-10-21","18:00:00",""
"4133770","52.118","0.003","21.587","0.0012","26.1688","0.0016","90","","90","","90","","29442","3","100","2","100","","","","","","","","","8","I m m a","-I 2b 2","74","","","","- Co3.69 K3.14 Li0.8 Mo Na1.28 O131.76 P5 W29 -","- Co3.694 K3.294 Li0.8 Mo Na1.01 O131.318 P5 W29 -","- Co29.552 K26.352 Li6.4 Mo8 Na8.08 O1050.55 P40 W232 -","8","0.5","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.0831","0.0614","","","0.1375","0.1506","","","","","","1.137","","","","has coordinates,has disorder","245115","2020-10-21","18:00:00",""
"4133771","21.6852","0.0016","79.711","0.006","26.2481","0.0019","90","","90","","90","","45371","6","100","2","100.15","","","","","","","","","7","C m m a","-C 2a 2","67","","","","- Bi1.07 Co3.5 K3.44 Li0.67 O131.08 P5 W30 -","- Bi1.04667 Co3.5 K3.44133 Li0.666667 O131.083 P5 W30 -","- Bi12.56 Co42 K41.296 Li8 O1573 P60 W360 -","12","0.75","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.0797","0.064","","","0.1416","0.1504","","","","","","1.146","","","","has coordinates,has disorder","245116","2020-10-21","18:00:00",""
"4133772","52.137","0.003","21.5598","0.0012","26.1562","0.0016","90","","90","","90","","29401","3","100","2","100","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- K3.28 Na1.65 O138.58 P5 W30 Zn3.46 -","- K3.2866 Na1.65 O138.583 P5 W30 Zn3.46 -","- K26.2928 Na13.2 O1108.66 P40 W240 Zn27.68 -","8","0.5","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.122","0.0887","","","0.2113","0.2452","","","","","","1.059","","","","has coordinates,has disorder","245117","2020-10-21","18:00:00",""
"4133773","52.178","0.003","21.6024","0.0012","26.1423","0.0016","90","","90","","90","","29467","3","100","2","100","","","","","","","","","7","I m m a","-I 2b 2","74","","","","- Fe3.5 K2.75 Li Na1.25 O128.33 P5 W30 -","- Fe3.5 K2.75 Li Na1.25 O128.333 P5 W30 -","- Fe28 K22 Li8 Na10 O1026.67 P40 W240 -","8","0.5","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.1181","0.0722","","","0.1579","0.1784","","","","","","1.05","","","","has coordinates,has disorder","245118","2020-10-21","18:00:00",""
"4133774","52.101","0.009","21.545","0.004","26.104","0.005","90","","90","","90","","29302","9","100","2","100","","","","","","","","","7","I m m a","-I 2b 2","74","","","","- K1.42 Li0.6 Na1.28 Ni3.01 O133.68 P5 W30 -","- K1.422 Li0.6 Na1.28 Ni3.004 O133.675 P5 W30 -","- K11.376 Li4.8 Na10.24 Ni24.032 O1069.4 P40 W240 -","8","0.5","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.1215","0.0864","","","0.1811","0.2118","","","","","","1.07","","","","has coordinates,has disorder","245119","2020-10-21","18:00:00",""
"4133775","52.361","0.003","21.6772","0.0012","26.1817","0.0016","90","","90","","90","","29717","3","100","2","100","","","","","","","","","8","I m m a","-I 2b 2","74","","","","- Fe3.38 K3.86 Li Mo Na1.01 O126.73 P5 W29 -","- Fe3.374 K3.8533 Li Mo Na1.02 O126.733 P5 W29 -","- Fe26.992 K30.8264 Li8 Mo8 Na8.16 O1013.86 P40 W232 -","8","0.5","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.0969","0.0831","","","0.1797","0.1888","","","","","","1.175","","","","has coordinates,has disorder","245120","2020-10-21","18:00:00",""
"4133776","21.6853","0.0016","79.455","0.006","26.2348","0.0019","90","","90","","90","","45203","6","100","2","100.15","","","","","","","","","7","C m m a","-C 2a 2","67","","","","- Co3.57 K1.78 Li O125.11 P5 Sm1.04 W30 -","- Co3.65733 K1.77333 Li O125.111 P5 Sm1.04267 W30 -","- Co43.888 K21.28 Li12 O1501.33 P60 Sm12.512 W360 -","12","0.75","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.1081","0.0897","","","0.1924","0.2033","","","","","","1.173","","","","has coordinates,has disorder","245121","2020-10-21","18:00:00",""
"4133777","52.548","0.003","21.6349","0.0012","25.8226","0.0016","90","","90","","90","","29357","3","100","2","100","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- Cu3.04 K3.25 Na1.45 O133.47 P5 W30 -","- Cu3.038 K3.25 Na1.46 O133.47 P5 W30 -","- Cu24.304 K26 Na11.68 O1067.76 P40 W240 -","8","0.5","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.1231","0.0881","","","0.2074","0.2422","","","","","","1.051","","","","has coordinates,has disorder","245122","2020-10-21","18:00:00",""
"4133778","52.303","0.008","21.664","0.002","26.055","0.003","90","","90","","90","","29523","6","100","2","100","","","","","","","","","7","I m m a","-I 2b 2","74","","","","- K1.73 Li0.25 Mn3.3 Na2.44 O125 P5 W30 -","- K1.73 Li0.25 Mn3.3 Na2.45 O125 P5 W30 -","- K13.84 Li2 Mn26.4 Na19.6 O1000 P40 W240 -","8","0.5","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.0999","0.0679","","","0.1607","0.1751","","","","","","1.094","","","","has coordinates,has disorder","245123","2020-10-21","18:00:00",""
"4133779","14.7058","0.0003","10.8534","0.0002","16.2209","0.0003","90","","114.202","0.008","90","","2361.43","0.17","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 O S2 -","- C31 H24 O S2 -","- C124 H96 O4 S8 -","4","1","","Mizutsu, Ryo; Asato, Ryosuke; Martin, Colin J.; Yamada, Mihoko; Nishikawa, Yoshiko; Katao, Shohei; Yamada, Miku; Nakashima, Takuya; Kawai, Tsuyoshi","Photo-Lewis Acid Generator Based on Radical-Free 6π Photo-Cyclization Reaction.","Journal of the American Chemical Society","2019","141","51","20043","20047","10.1021/jacs.9b11821","","","0.71075","MoKα","","0.0349","0.0335","","","0.0849","0.086","","","","","","1.058","","","","has coordinates","246553","2020-10-21","18:00:00",""
"4133780","16.3908","0.0003","8.62288","0.00017","19.0929","0.0004","90","","102.722","0.007","90","","2632.26","0.12","103","","103","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 F3 O3 S3 -","- C31 H21 F3 O3 S3 -","- C124 H84 F12 O12 S12 -","4","1","","Mizutsu, Ryo; Asato, Ryosuke; Martin, Colin J.; Yamada, Mihoko; Nishikawa, Yoshiko; Katao, Shohei; Yamada, Miku; Nakashima, Takuya; Kawai, Tsuyoshi","Photo-Lewis Acid Generator Based on Radical-Free 6π Photo-Cyclization Reaction.","Journal of the American Chemical Society","2019","141","51","20043","20047","10.1021/jacs.9b11821","","","0.71075","MoKα","","0.048","0.0355","","","0.0776","0.082","","","","","","1.03","","","","has coordinates","246553","2020-10-21","18:00:00",""
"4133781","28.507","0.008","8.438","0.002","19.622","0.005","90","","100.864","0.003","90","","4635","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 N7 O6.12 -","- C25 H23 N7 O6 -","- C200 H184 N56 O48 -","8","1","","Sun, Yuren; Gu, Jun; Wang, Hongyu; Sessler, Jonathan L.; Thordarson, Pall; Lin, Yue-Jian; Gong, Hegui","AAAA-DDDD Quadruple H-Bond-Assisted Ionic Interactions: Robust Bis(Guanidinium)/DiCarboxylate Heteroduplexes in Water.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09503","","","0.71073","MoKα","","0.1054","0.0507","","","0.1219","0.1446","","","","","","0.956","","","","has coordinates","245126","2020-10-21","18:00:00",""
"4133782","10.13686","0.00018","27.9904","0.0005","29.413","0.0007","90","","90","","90","","8345.5","0.3","179.99","0.1","179.99","0.1","","","","","","","","6","A e m 2","A 2 -2b","39","","","","- C82 H120 K2 N4 O3 Sc2 -","- C82 H120 K2 N4 O3 Sc2 -","- C328 H480 K8 N16 O12 Sc8 -","4","0.5","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.1094","0.104","","","0.2451","0.2549","","","","","","1.185","","","","has coordinates,has disorder","246547","2020-10-21","18:00:00",""
"4133783","16.1534","0.0003","21.9933","0.0005","18.0185","0.0004","90","","93.986","0.002","90","","6385.9","0.2","179.99","0.1","179.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H100 K N4 O8 Sc -","- C61 H100 K N4 O8 Sc -","- C244 H400 K4 N16 O32 Sc4 -","4","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0522","0.0456","","","0.1241","0.1299","","","","","","1.025","","","","has coordinates,has disorder","246547","2020-10-21","18:00:00",""
"4133784","12.9177","0.0003","24.4065","0.0005","17.75","0.0004","90","","93.882","0.002","90","","5583.3","0.2","180","0.2","180","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H88 K N4 O6 Sc Si -","- C50 H88 K N4 O6 Sc Si -","- C200 H352 K4 N16 O24 Sc4 Si4 -","4","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0515","0.0423","","","0.1057","0.1123","","","","","","1.024","","","","has coordinates","246547","2020-10-21","18:00:00",""
"4133785","22.869","0.003","8.6245","0.0009","20.838","0.003","90","","107.273","0.016","90","","3924.6","0.9","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H56 K N2 O Sc -","- C41 H56 K N2 O Sc -","- C164 H224 K4 N8 O4 Sc4 -","4","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0842","0.0687","","","0.1511","0.1583","","","","","","1.165","","","","has coordinates","246547","2020-10-21","18:00:00",""
"4133786","11.5768","0.0003","15.0488","0.0004","22.132","0.0006","109.736","0.002","92.258","0.002","91.702","0.002","3622.66","0.17","179.99","0.11","179.99","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C68 H94 N6 Sc2 -","- C68 H94 N6 Sc2 -","- C136 H188 N12 Sc4 -","2","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0469","0.0391","","","0.1025","0.1075","","","","","","1.021","","","","has coordinates","246547","2020-10-21","18:00:00",""
"4133787","10.8626","0.0002","16.8834","0.0004","33.3909","0.0007","90","","90","","90","","6123.8","0.2","180","0.1","180","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C57 H93 K N5 O7 Sc Si -","- C57 H93 K N5 O7 Sc Si -","- C228 H372 K4 N20 O28 Sc4 Si4 -","4","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0403","0.0348","","","0.0812","0.0835","","","","","","1.018","","","","has coordinates","246547","2020-10-21","18:00:00",""
"4133788","10.7441","0.0004","25.3512","0.0007","21.2161","0.0006","90","","103.475","0.003","90","","5619.7","0.3","179.99","0.1","179.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H84 K N6 O7 Sc -","- C53 H84 K N6 O7 Sc -","- C212 H336 K4 N24 O28 Sc4 -","4","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0468","0.0396","","","0.0929","0.0966","","","","","","1.047","","","","has coordinates","246547","2020-10-21","18:00:00",""
"4133789","10.4972","0.0003","31.6651","0.0007","14.7793","0.0003","90","","101.47","0.002","90","","4814.5","0.2","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H74 K N10 O6 Sc -","- C39 H74 K N10 O6 Sc -","- C156 H296 K4 N40 O24 Sc4 -","4","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0365","0.0312","","","0.0781","0.0807","","","","","","1.022","","","","has coordinates","246547","2020-10-21","18:00:00",""
"4133790","10.3841","0.0003","13.5846","0.0003","22.4918","0.0006","77.35","0.002","89.627","0.002","85.456","0.002","3085.84","0.14","179.98","0.1","179.98","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C51 H84 K N4 O6 S2 Sc -","- C51 H84 K N4 O6 S2 Sc -","- C102 H168 K2 N8 O12 S4 Sc2 -","2","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0422","0.0365","","","0.0956","0.0986","","","","","","1.063","","","","has coordinates","246547","2020-10-21","18:00:00",""
"4133791","10.5193","0.0003","13.478","0.0004","21.8407","0.0006","77.37","0.002","88.284","0.002","83.382","0.002","3001.46","0.15","179.99","0.1","179.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C51 H84 K N6 O6 Sc -","- C51 H84 K N6 O6 Sc -","- C102 H168 K2 N12 O12 Sc2 -","2","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0459","0.0366","","","0.0911","0.0951","","","","","","1.036","","","","has coordinates,has disorder","246547","2020-10-21","18:00:00",""
"4133792","22.6832","0.0009","22.6832","0.0009","50.192","0.002","90","","90","","120","","22365.3","1.5","100","0.1","100","0.1","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C148 H180 Dy15 N31 Na2 O79 -","- C132 H80 Dy15 N24 Na2 O73 -","- C264 H160 Dy30 N48 Na4 O146 -","2","0.0833333","","Chen, Zhijie; Thiam, Zeynabou; Shkurenko, Aleksander; Weselinski, Lukasz J.; Adil, Karim; Jiang, Hao; Alezi, Dalal; Assen, Ayalew H.; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire with Minimal Edge-Transitive Related Nets: Access to Highly Coordinated Metal-Organic Frameworks Based on Double Six-Membered Rings as Net-Coded Building Units.","Journal of the American Chemical Society","2019","141","51","20480","20489","10.1021/jacs.9b11260","","","1.54178","CuKα","","0.1499","0.135","","","0.427","0.4365","","","","","","1.901","","","","has coordinates,has disorder","246550","2020-10-21","18:00:00",""
"4133793","43.475","0.002","43.475","0.002","43.475","0.002","90","","90","","90","","82171","7","100","0.1","100","0.1","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C141 H133 N3 O53 Y9 -","- C135 H81 O53 Y9 -","- C1080 H648 O424 Y72 -","8","0.0833333","","Chen, Zhijie; Thiam, Zeynabou; Shkurenko, Aleksander; Weselinski, Lukasz J.; Adil, Karim; Jiang, Hao; Alezi, Dalal; Assen, Ayalew H.; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire with Minimal Edge-Transitive Related Nets: Access to Highly Coordinated Metal-Organic Frameworks Based on Double Six-Membered Rings as Net-Coded Building Units.","Journal of the American Chemical Society","2019","141","51","20480","20489","10.1021/jacs.9b11260","","","1.54178","CuKα","","0.1121","0.1018","","","0.3707","0.3865","","","","","","1.944","","","","has coordinates,has disorder","246550","2020-10-21","18:00:00",""
"4133794","23.951","0.001","23.951","0.001","32.354","0.002","90","","90","","120","","16073.3","1.4","100","0.1","100","0.1","","","","","","","","5","P 63/m","-P 6c","176","","","","- C138 H130 N3 O53 Y9 -","- C132 H78 O53 Y9 -","- C264 H156 O106 Y18 -","2","0.166667","","Chen, Zhijie; Thiam, Zeynabou; Shkurenko, Aleksander; Weselinski, Lukasz J.; Adil, Karim; Jiang, Hao; Alezi, Dalal; Assen, Ayalew H.; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire with Minimal Edge-Transitive Related Nets: Access to Highly Coordinated Metal-Organic Frameworks Based on Double Six-Membered Rings as Net-Coded Building Units.","Journal of the American Chemical Society","2019","141","51","20480","20489","10.1021/jacs.9b11260","","","1.54178","CuKα","","0.1182","0.0865","","","0.2652","0.3016","","","","","","1.13","","","","has coordinates,has disorder","246550","2020-10-21","18:00:00",""
"4133795","23.7931","0.0003","23.7931","0.0003","32.3652","0.0005","90","","90","","120","","15867.6","0.4","100","0.1","100","0.1","","","","","","","","5","P 63/m","-P 6c","176","","","","- C138 H130 N3 O53 Tb9 -","- C132 H78 O53 Tb9 -","- C264 H156 O106 Tb18 -","2","0.166667","","Chen, Zhijie; Thiam, Zeynabou; Shkurenko, Aleksander; Weselinski, Lukasz J.; Adil, Karim; Jiang, Hao; Alezi, Dalal; Assen, Ayalew H.; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire with Minimal Edge-Transitive Related Nets: Access to Highly Coordinated Metal-Organic Frameworks Based on Double Six-Membered Rings as Net-Coded Building Units.","Journal of the American Chemical Society","2019","141","51","20480","20489","10.1021/jacs.9b11260","","","1.54178","CuKα","","0.1191","0.0922","","","0.2928","0.3184","","","","","","1.312","","","","has coordinates,has disorder","246550","2020-10-21","18:00:00",""
"4133796","22.7138","0.0009","22.7138","0.0009","50.592","0.003","90","","90","","120","","22604.4","1.8","100","0.1","100","0.1","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C142 H160 N29 O73 Tb15 -","- C132 H92 N24 O73 Tb15 -","- C264 H184 N48 O146 Tb30 -","2","0.0833333","","Chen, Zhijie; Thiam, Zeynabou; Shkurenko, Aleksander; Weselinski, Lukasz J.; Adil, Karim; Jiang, Hao; Alezi, Dalal; Assen, Ayalew H.; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire with Minimal Edge-Transitive Related Nets: Access to Highly Coordinated Metal-Organic Frameworks Based on Double Six-Membered Rings as Net-Coded Building Units.","Journal of the American Chemical Society","2019","141","51","20480","20489","10.1021/jacs.9b11260","","","1.54178","CuKα","","0.0939","0.0846","","","0.2713","0.2785","","","","","","1.226","","","","has coordinates","246550","2020-10-21","18:00:00",""
"4133797","10.791","0.0003","20.3109","0.0008","26.9659","0.0009","90","","90","","90","","5910.2","0.3","180","0.1","180","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 F O5 -","- C29 H39 F O5 -","- C232 H312 F8 O40 -","8","2","","Jiang, Yan-Long; Yu, Hai-Xin; Li, Yong; Qu, Pei; Han, Yi-Xin; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Pre-schisanartanin C.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11872","","","0.71073","MoKα","","0.1077","0.0771","","","0.2062","0.2259","","","","","","1.032","","","","has coordinates","245280","2020-10-21","18:00:00",""
"4133798","7.145","0.0002","11.7309","0.0003","12.9688","0.0004","91.043","0.003","100.782","0.003","100.374","0.003","1048.85","0.05","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C40 H52 O10 -","2","1","","Jiang, Yan-Long; Yu, Hai-Xin; Li, Yong; Qu, Pei; Han, Yi-Xin; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Pre-schisanartanin C.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11872","","x-ray","1.54184","CuKα","","0.0707","0.0611","","","0.1735","0.1876","","","","","","1.096","","","","has coordinates","245281","2020-10-21","18:00:00",""
"4133799","9.3439","0.0002","11.9039","0.0003","23.5267","0.0006","90","","90","","90","","2616.85","0.11","179.97","0.14","179.97","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 O9 -","- C29 H40 O9 -","- C116 H160 O36 -","4","1","","Jiang, Yan-Long; Yu, Hai-Xin; Li, Yong; Qu, Pei; Han, Yi-Xin; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Pre-schisanartanin C.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11872","","","0.71073","MoKα","","0.046","0.0389","","","0.0983","0.1016","","","","","","1.036","","","","has coordinates","245282","2020-10-21","18:00:00",""
"4133800","8.17331","0.00019","10.2803","0.0002","13.2668","0.0003","90","","96.454","0.002","90","","1107.67","0.04","160","2","160","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 O7 -","- C24 H36 O7 -","- C48 H72 O14 -","2","1","","Jiang, Yan-Long; Yu, Hai-Xin; Li, Yong; Qu, Pei; Han, Yi-Xin; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Pre-schisanartanin C.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11872","","x-ray","1.54184","CuKα","","0.0544","0.0526","","","0.1447","0.1472","","","","","","1.078","","","","has coordinates","245284","2020-10-21","18:00:00",""
"4133801","14.4418","0.0001","14.4418","0.0001","40.013","0.0008","90","","90","","90","","8345.33","0.19","180","0.1","180","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C44 H58 F2 O7 Si -","- C44 H58 F2 O7 Si -","- C352 H464 F16 O56 Si8 -","8","1","","Jiang, Yan-Long; Yu, Hai-Xin; Li, Yong; Qu, Pei; Han, Yi-Xin; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Pre-schisanartanin C.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11872","","","0.71073","MoKα","","0.0884","0.0675","","","0.179","0.1928","","","","","","1.035","","","","has coordinates,has disorder","245285","2020-10-21","18:00:00",""
"4133802","23.4244","0.0003","38.6332","0.0006","35.0018","0.0007","90","","92.023","0.001","90","","31655.5","0.9","93","2","93.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C256 H182 F30 N52 O37 S10 Zn8 -","- C256 H182 F30 N52 O37 S10 Zn8 -","- C1024 H728 F120 N208 O148 S40 Zn32 -","4","1","","Endo, Kenichi; Ube, Hitoshi; Shionoya, Mitsuhiko","Multi-Stimuli Responsive Interconversion between Bowl- and Capsule-Shaped Self-Assembled Zinc(II) Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11099","","x-ray","1.54184","CuKα","","0.1165","0.0921","","","0.2506","0.2709","","","","","","1.051","","","","has coordinates,has disorder","245286","2020-10-21","18:00:00",""
"4133803","45.6445","0.0004","29.7686","0.0003","41.2098","0.0006","90","","93.5244","0.0011","90","","55888.9","1.1","298.2","","298.2","","","","","","","","","10","C 1 c 1","C -2yc","9","","B12Au12","","- C396.2 H514 Au11.17 B12 Cl11.15 F58.26 N11.15 O12 P11.15 Sb9.71 -","- C396.2 H514 Au11.17 B12 Cl11.15 F58.26 N11.15 O12 P11.15 Sb9.71 -","- C1584.8 H2056 Au44.68 B48 Cl44.6 F233.04 N44.6 O48 P44.6 Sb38.84 -","4","1","","Stauber, Julia M.; Qian, Elaine Anne; Han, Yanxiao; Rheingold, Arnold L.; Král, Petr; Fujita, Daishi; Spokoyny, Alexander M.","An Organometallic Strategy for Assembling Atomically Precise Hybrid Nanomaterials.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10770","","x-ray","0.4934","synchrotron","","0.073","0.0561","","","0.1561","0.1717","","","","","","1.053","","","","has coordinates,has disorder","245333","2020-10-21","18:00:00",""
"4133804","10.6995","0.001","15.7093","0.0014","16.1872","0.0014","113.864","0.003","90.52","0.003","109.249","0.003","2316.9","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H72 B12 I12 O12 -","- C84 H72 B12 I12 O12 -","- C84 H72 B12 I12 O12 -","1","0.5","","Stauber, Julia M.; Qian, Elaine Anne; Han, Yanxiao; Rheingold, Arnold L.; Král, Petr; Fujita, Daishi; Spokoyny, Alexander M.","An Organometallic Strategy for Assembling Atomically Precise Hybrid Nanomaterials.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10770","","x-ray","0.71073","MoKα","","0.0462","0.0308","","","0.0593","0.064","","","","","","1.022","","","","has coordinates","245334","2020-10-21","18:00:00",""
"4133805","12.4025","0.0007","8.9323","0.0005","14.1616","0.0008","90","","113.249","0.001","90","","1441.47","0.14","100","2","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N5 -","- C16 H19 N5 -","- C64 H76 N20 -","4","1","","Lehnherr, Dan; Lam, Yu-hong; Nicastri, Michael C.; Liu, Jinchu; Newman, Justin A.; Regalado, Erik L.; DiRocco, Daniel A.; Rovis, Tomislav","Electrochemical Synthesis of Hindered Primary and Secondary Amines via Proton-Coupled Electron Transfer","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10870","","","1.54178","CuKα","","0.0331","0.033","","","0.0833","0.0834","","","","","","1.052","","","","has coordinates","245335","2020-10-21","18:00:00",""
"4133806","8.209","0.0016","10.695","0.002","15.832","0.003","93.56","0.03","102.64","0.03","101.65","0.03","1320.1","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H41 N O3 S Si -","- C25 H41 N O3 S Si -","- C50 H82 N2 O6 S2 Si2 -","2","1","","Liu, Zhi-Yun; Zhang, Ming; Wang, Xiao-Chen","Hydrosilylation-Promoted Furan Diels-Alder Cycloadditions with Stereoselectivity Controlled by the Silyl Group.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11909","","","0.71073","MoKα","","0.1081","0.089","","","0.245","0.2645","","","","","","1.086","","","","has coordinates","245401","2020-10-21","18:00:00",""
"4133807","11.817","0.002","8.055","0.0016","27.107","0.005","90","","100.49","0.03","90","","2537.1","0.8","113","2","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H39 N O3 S Si -","- C24 H39 N O3 S Si -","- C96 H156 N4 O12 S4 Si4 -","4","1","","Liu, Zhi-Yun; Zhang, Ming; Wang, Xiao-Chen","Hydrosilylation-Promoted Furan Diels-Alder Cycloadditions with Stereoselectivity Controlled by the Silyl Group.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11909","","","0.71073","MoKα","","0.0699","0.0497","","","0.1205","0.1308","","","","","","1.099","","","","has coordinates,has disorder","245401","2020-10-21","18:00:00",""
"4133808","14.031","0.003","8.0495","0.0016","23.718","0.005","90","","92.79","0.03","90","","2675.6","1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 N O3 S Si -","- C27 H37 N O3 S Si -","- C108 H148 N4 O12 S4 Si4 -","4","1","","Liu, Zhi-Yun; Zhang, Ming; Wang, Xiao-Chen","Hydrosilylation-Promoted Furan Diels-Alder Cycloadditions with Stereoselectivity Controlled by the Silyl Group.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11909","","","0.71073","MoKα","","0.0773","0.061","","","0.1634","0.1765","","","","","","1.078","","","","has coordinates","245401","2020-10-21","18:00:00",""
"4133809","8.3949","0.0005","10.5821","0.0006","17.3603","0.0009","93.464","0.005","90.484","0.005","105.891","0.005","1480.07","0.15","113","2","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H42 F N O3 S Si -","- C30 H42 F N O3 S Si -","- C60 H84 F2 N2 O6 S2 Si2 -","2","1","","Liu, Zhi-Yun; Zhang, Ming; Wang, Xiao-Chen","Hydrosilylation-Promoted Furan Diels-Alder Cycloadditions with Stereoselectivity Controlled by the Silyl Group.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11909","","x-ray","0.71073","MoKα","","0.1596","0.1227","","","0.3349","0.3566","","","","","","1.079","","","","has coordinates","245401","2020-10-21","18:00:00",""
"4133810","8.4314","0.0009","10.6619","0.0009","11.7732","0.0012","86.398","0.008","89.55","0.008","83.366","0.008","1049.19","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 Cl2 Co N6 O -","- C21 H20 Cl2 Co N6 O -","- C42 H40 Cl4 Co2 N12 O2 -","2","1","","Queyriaux, Nicolas; Sun, Dongyue; Fize, Jennifer; Pecaut, Jacques; Field, Martin J.; Chavarot-Kerlidou, Murielle; Artero, Vincent","Electrocatalytic Hydrogen Evolution with a Cobalt Complex Bearing Pendant Proton Relays: Acid Strength and Applied Potential Govern Mechanism and Stability.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10407","","","0.71073","MoKα","","0.0528","0.0383","","","0.0758","0.0828","","","","","","1.055","","","","has coordinates","245402","2020-10-21","18:00:00",""
"4133811","9.0627","0.0005","17.182","0.0009","18.6821","0.001","87.768","0.0009","88.6994","0.0008","75.7526","0.0008","2817.2","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C30.84 H37.31 Au B22 Br12 Cl0.47 F0.77 N2 S -","- C30.84 H37.304 Au B22 Br12 Cl0.464 F0.768 N2 S -","- C61.68 H74.608 Au2 B44 Br24 Cl0.928 F1.536 N4 S2 -","2","1","","Fisher, Steven P.; McArthur, Scott G.; Tej, Varun; Lee, Sarah E.; Chan, Allen L.; Banda, Isaac; Gregory, Aaron; Berkley, Kevin; Tsay, Charlene; Rheingold, Arnold L.; Guisado-Barrios, Gregorio; Lavallo, Vincent","Strongly Coordinating Ligands to Form Weakly Coordinating yet Functional Organometallic Anions.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10234","","","0.71073","MoKα","","0.0322","0.0265","","","0.0606","0.0626","","","","","","1.039","","","","has coordinates,has disorder","245403","2020-10-21","18:00:00",""
"4133812","29.2447","0.0015","14.0197","0.0007","14.3142","0.0007","90","","93.2313","0.0007","90","","5859.5","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8.36 H31.71 Au B22 Cl2.71 N2 S -","- C8.354 H31.708 Au B22 Cl2.708 N2 S -","- C66.832 H253.664 Au8 B176 Cl21.664 N16 S8 -","8","1","","Fisher, Steven P.; McArthur, Scott G.; Tej, Varun; Lee, Sarah E.; Chan, Allen L.; Banda, Isaac; Gregory, Aaron; Berkley, Kevin; Tsay, Charlene; Rheingold, Arnold L.; Guisado-Barrios, Gregorio; Lavallo, Vincent","Strongly Coordinating Ligands to Form Weakly Coordinating yet Functional Organometallic Anions.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10234","","","0.71073","MoKα","","0.0375","0.0333","","","0.085","0.0871","","","","","","1.166","","","","has coordinates,has disorder","245404","2020-10-21","18:00:00",""
"4133813","11.165","0.003","15.799","0.005","18.044","0.005","64.599","0.008","82.881","0.007","72.102","0.007","2735.9","1.4","175","","175","","","","","","","","","9","P -1","-P 1","2","","","","- C11 H26 Ag Au B22 Br12 N2 O S -","- C11 H26 Ag Au B22 Br12 N2 O S -","- C22 H52 Ag2 Au2 B44 Br24 N4 O2 S2 -","2","1","","Fisher, Steven P.; McArthur, Scott G.; Tej, Varun; Lee, Sarah E.; Chan, Allen L.; Banda, Isaac; Gregory, Aaron; Berkley, Kevin; Tsay, Charlene; Rheingold, Arnold L.; Guisado-Barrios, Gregorio; Lavallo, Vincent","Strongly Coordinating Ligands to Form Weakly Coordinating yet Functional Organometallic Anions.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10234","","x-ray","0.71073","MoKα","","0.0728","0.0431","","","0.1014","0.1101","","","","","","1.068","","","","has coordinates","245405","2020-10-21","18:00:00",""
"4133814","22.402","0.004","17.97","0.004","20.744","0.004","90","","106.15","0.03","90","","8021","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H73 B Cl4 Cu4 F4 P6 -","- C92 H73 B Cl4 Cu4 F4 P6 -","- C368 H292 B4 Cl16 Cu16 F16 P24 -","4","0.5","","Olaru, Marian; Rychagova, Elena; Ketkov, Sergey Yu; Shynkarenko, Yevhen; Yakunin, Sergii; Kovalenko, Maksym V.; Yablonskiy, Artem; Andreev, Boris A.; Kleemiss, Florian; Beckmann, Jens; Vogt, Matthias","A Small Cationic Organo-Copper Cluster as Thermally Robust Highly Photo- and Electro Luminescent Material.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10829","","","0.71073","MoKα","","0.0477","0.0469","","","0.1108","0.1111","","","","","","1.18","","","","has coordinates","245455","2020-10-21","18:00:00",""
"4133815","7.8591","0.0005","18.1807","0.0011","10.005","0.0006","90","","91.477","0.002","90","","1429.08","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br N -","- C18 H14 Br N -","- C72 H56 Br4 N4 -","4","1","","Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S.","Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11518","","x-ray","0.71073","MoKα","","0.0293","0.0245","","","0.0604","0.0626","","","","","","1.018","","","","has coordinates","245485","2020-10-21","18:00:00",""
"4133816","8.1537","0.0004","12.3944","0.0006","17.4953","0.0008","90","","102.049","0.001","90","","1729.13","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Br2 N -","- C20 H17 Br2 N -","- C80 H68 Br8 N4 -","4","1","","Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S.","Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11518","","x-ray","0.71073","MoKα","","0.0579","0.0441","","","0.1086","0.1146","","","","","","1.058","","","","has coordinates","245486","2020-10-21","18:00:00",""
"4133817","15.838","0.002","4.6056","0.0006","26.637","0.003","90","","99.746","0.003","90","","1915","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44.33 H40.67 Br2 N6 O3.17 -","- C44.336 H40.672 Br2 N6 O3.168 -","- C88.672 H81.344 Br4 N12 O6.336 -","2","0.5","","Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S.","Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11518","","x-ray","0.71073","MoKα","","0.0617","0.0467","","","0.0995","0.1079","","","","","","1.102","","","","has coordinates,has disorder","245487","2020-10-21","18:00:00",""
"4133818","15.8837","0.0016","4.6117","0.0005","26.786","0.003","90","","100.216","0.002","90","","1931","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43.96 H40.56 Br2 N6.65 O2.65 -","- C43.95 H40.55 Br2 N6.65 O2.65 -","- C87.9 H81.1 Br4 N13.3 O5.3 -","2","0.5","","Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S.","Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11518","","x-ray","0.71073","MoKα","","0.0666","0.047","","","0.0971","0.1051","","","","","","1.045","","","","has coordinates,has disorder","245488","2020-10-21","18:00:00",""
"4133819","12.9146","0.0018","13.928","0.0019","9.4512","0.0013","90","","110.841","0.004","90","","1588.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C80 H76 N12 O4 -","4","1","","Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S.","Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11518","","x-ray","0.71073","MoKα","","0.0761","0.0438","","","0.0984","0.112","","","","","","1.017","","","","has coordinates","245489","2020-10-21","18:00:00",""
"4133820","9.9285","0.0005","12.2758","0.0006","12.537","0.0006","98.954","0.002","90.731","0.002","106.446","0.002","1445.03","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 Br N -","- C18 H14 Br N -","- C72 H56 Br4 N4 -","4","2","","Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S.","Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11518","","x-ray","0.71073","MoKα","","0.043","0.0362","","","0.0893","0.0922","","","","","","1.086","","","","has coordinates,has disorder","245490","2020-10-21","18:00:00",""
"4133821","10.0428","0.0005","12.0048","0.0007","13.6585","0.0008","76.855","0.002","83.018","0.002","79.682","0.002","1571.99","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H64 Cl12 N8 O2 -","- C58 H64 Cl12 N8 O2 -","- C58 H64 Cl12 N8 O2 -","1","0.5","","Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S.","Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11518","","x-ray","0.71073","MoKα","","0.0613","0.046","","","0.1227","0.1319","","","","","","1.033","","","","has coordinates,has disorder","245491","2020-10-21","18:00:00",""
"4133822","35.075","0.002","9.9908","0.0006","8.8263","0.0006","90","","90","","90","","3093","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C39 H34 N4 O -","- C39 H34 N4 O -","- C156 H136 N16 O4 -","4","0.5","","Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S.","Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11518","","x-ray","0.71073","MoKα","","0.0881","0.0639","","","0.1422","0.1524","","","","","","1.125","","","","has coordinates","245492","2020-10-21","18:00:00",""
"4133823","9.4489","0.0011","12.1817","0.0013","12.3451","0.0014","63.821","0.004","76.099","0.005","87.623","0.005","1234.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H68 N8 O4 -","- C56 H68 N8 O4 -","- C56 H68 N8 O4 -","1","0.5","","Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S.","Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11518","","x-ray","0.71073","MoKα","","0.0664","0.0419","","","0.0926","0.1026","","","","","","1.026","","","","has coordinates,has disorder","245493","2020-10-21","18:00:00",""
"4133824","13.2794","0.0005","9.6773","0.0004","28.5236","0.0011","90","","93.197","0.002","90","","3659.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 N6 O3 S -","- C44 H44 N6 O3 S -","- C176 H176 N24 O12 S4 -","4","1","","Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S.","Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11518","","x-ray","0.71073","MoKα","","0.1213","0.0629","","","0.1259","0.1456","","","","","","1.046","","","","has coordinates,has disorder","245494","2020-10-21","18:00:00",""
"4133825","22.539","0.003","40.639","0.005","13.7223","0.0017","90","","96.088","0.005","90","","12498","3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H30 O12 -","- C60 H30 O12 -","- C480 H240 O96 -","8","1","","Zhang, Xu; Li, Libo; Wang, Jia-Xin; Wen, Hui-Min; Krishna, Rajamani; Wu, Hui; Zhou, Wei; Chen, Zhong-Ning; Li, Bin; Qian, Guodong; Chen, Banglin","Selective Ethane/Ethylene Separation in a Robust Microporous Hydrogen-Bonded Organic Framework.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12428","","","0.71073","MoKα","","0.1799","0.0772","","","0.2123","0.2684","","","","","","1.005","","","","has coordinates","245495","2020-10-21","18:00:00",""
"4133826","6.61682","0.0001","16.7208","0.0002","11.20335","0.00016","90","","107.053","0.0015","90","","1185.02","0.03","180.01","0.1","180.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 B N2 O4 -","- C25 H33 B N2 O4 -","- C50 H66 B2 N4 O8 -","2","1","","Fiorito, Daniele; Liu, Yangbin; Besnard, Celine; Mazet, Clément","Direct Access to Chiral Secondary Amides by Copper-Catalyzed Borylative Carboxamidation of Vinylarenes with Isocyanates.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12297","","x-ray","1.54184","CuKα","","0.0318","0.0305","","","0.0768","0.0782","","","","","","1.047","","","","has coordinates","245524","2020-10-21","18:00:00",""
"4133827","14.3572","0.0002","10.3274","0.0001","17.3961","0.0002","90","","91.62","0.001","90","","2578.33","0.05","180.01","0.1","180.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 B N O5 -","- C28 H32 B N O5 -","- C112 H128 B4 N4 O20 -","4","1","","Fiorito, Daniele; Liu, Yangbin; Besnard, Celine; Mazet, Clément","Direct Access to Chiral Secondary Amides by Copper-Catalyzed Borylative Carboxamidation of Vinylarenes with Isocyanates.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12297","","x-ray","1.54184","CuKα","","0.0368","0.0345","","","0.0888","0.0906","","","","","","1.041","","","","has coordinates","245525","2020-10-21","18:00:00",""
"4133828","17.9466","0.0003","8.57729","0.00014","11.94065","0.00018","90","","95.319","0.0015","90","","1830.15","0.05","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 B N O3 -","- C20 H28 B N O3 -","- C80 H112 B4 N4 O12 -","4","1","","Fiorito, Daniele; Liu, Yangbin; Besnard, Celine; Mazet, Clément","Direct Access to Chiral Secondary Amides by Copper-Catalyzed Borylative Carboxamidation of Vinylarenes with Isocyanates.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12297","","x-ray","1.54184","CuKα","","0.0512","0.0411","","","0.1014","0.1083","","","","","","1.015","","","","has coordinates","245526","2020-10-21","18:00:00",""
"4133829","24.257","0.005","15.144","0.003","10.676","0.002","90","","90","","90","","3921.8","1.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C80 H Bi4 O32 S24 -","- C80 H16 Bi4 O32 S24 -","- C80 H16 Bi4 O32 S24 -","1","0.125","","García-Sánchez, Alba; Gomez-Mendoza, Miguel; Barawi, Mariam; Villar-Garcia, Ignacio Jose; Liras, Marta; Gándara, Felipe; de la Peña O'Shea, Víctor A","Fundamental Insights in Photoelectrocatalytic Hydrogen Production with a Hole-transport Bismuth Metal-organic Framework.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10261","","","1.54184","CuKα","","0.0802","0.0761","","","0.2404","0.2441","","","","","","1.181","","","","has coordinates","245527","2020-10-21","18:00:00",""
"4133830","25.5961","0.0019","22.5938","0.0019","17.288","0.002","90","","100.512","0.008","90","","9830.1","1.6","273","2","273.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C126 H24 Bi6 N2 O51 S36 -","- C126 H24 Bi6 N2 O51 S36 -","- C252 H48 Bi12 N4 O102 S72 -","2","0.5","","García-Sánchez, Alba; Gomez-Mendoza, Miguel; Barawi, Mariam; Villar-Garcia, Ignacio Jose; Liras, Marta; Gándara, Felipe; de la Peña O'Shea, Víctor A","Fundamental Insights in Photoelectrocatalytic Hydrogen Production with a Hole-transport Bismuth Metal-organic Framework.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10261","","","1.54178","CuKα","","0.0758","0.0637","","","0.1917","0.2024","","","","","","1.052","","","","has coordinates,has disorder","245528","2020-10-21","18:00:00",""
"4133831","18.162","0.016","8.278","0.007","13.734","0.013","90","","127.187","0.009","90","","1645","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 N6 Pb3 S6 -","- C6 N6 Pb3 S6 -","- C24 N24 Pb12 S24 -","4","0.5","","Kamakura, Yoshinobu; Chinapang, Pondchanok; Masaoka, Shigeyuki; Saeki, Akinori; Ogasawara, Kazuyoshi; Nishitani, Shigeto R.; Yoshikawa, Hirofumi; Katayama, Tetsuro; Tamai, Naoto; Sugimoto, Kunihisa; Tanaka, Daisuke","Semiconductive Nature of Lead-Based Metal‒Organic Frameworks with Three-Dimensionally Extended Sulfur Secondary Building Units","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10436","","","0.71075","MoKα","","0.0285","0.0274","","","0.0658","0.0666","","","","","","1.06","","","","has coordinates","245529","2020-10-21","18:00:00",""
"4133832","18.652","0.003","8.2402","0.0012","13.876","0.002","90","","128.277","0.009","90","","1674.2","0.5","80","2","80","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 N6 O2 Pb3 S6 -","- C6 N6 O2 Pb3 S6 -","- C24 N24 O8 Pb12 S24 -","4","0.5","","Kamakura, Yoshinobu; Chinapang, Pondchanok; Masaoka, Shigeyuki; Saeki, Akinori; Ogasawara, Kazuyoshi; Nishitani, Shigeto R.; Yoshikawa, Hirofumi; Katayama, Tetsuro; Tamai, Naoto; Sugimoto, Kunihisa; Tanaka, Daisuke","Semiconductive Nature of Lead-Based Metal‒Organic Frameworks with Three-Dimensionally Extended Sulfur Secondary Building Units","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10436","","","0.4142","Synchrotron","","0.0158","0.0158","","","0.0416","0.0416","","","","","","1.094","","","","has coordinates,has disorder","245529","2020-10-21","18:00:00",""
"4133833","9.9804","0.0003","20.0798","0.0005","12.5191","0.0004","90","","111.909","0.004","90","","2327.69","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Eu N12 O28 Rb -","- C28 H56 Eu N12 O28 Rb -","- C56 H112 Eu2 N24 O56 Rb2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0436","0.0341","","","0.0675","0.0703","","","","","","0.978","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133834","7.053","0.0001","7.053","0.0001","24.161","0.0015","90","","90","","90","","1201.88","0.08","358","2","358","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C28 H52 Eu N12 O28 Rb -","- C40 Eu N12 O20 Rb -","- C40 Eu N12 O20 Rb -","1","0.0625","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0479","0.0422","","","0.0974","0.0995","","","","","","1.198","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133835","9.9723","0.0004","20.0722","0.0007","12.5251","0.0005","90","","111.889","0.005","90","","2326.36","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Eu N12 O28 Rb -","- C28 H56 Eu N12 O28 Rb -","- C56 H112 Eu2 N24 O56 Rb2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0583","0.0391","","","0.0755","0.082","","","","","","0.979","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133836","9.9791","0.0005","20.0918","0.0008","12.5204","0.0006","90","","111.977","0.006","90","","2327.9","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 N12 O28 Rb Sm -","- C28 H56 N12 O28 Rb Sm -","- C56 H112 N24 O56 Rb2 Sm2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0818","0.0514","","","0.1011","0.1122","","","","","","0.961","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133837","7.0629","0.0002","7.0629","0.0002","24.3073","0.0017","90","","90","","90","","1212.56","0.1","383","2","383","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C28 H52 N12 O28 Rb Sm -","- C40 N12 O20 Rb Sm -","- C40 N12 O20 Rb Sm -","1","0.0625","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0736","0.0708","","","0.1624","0.164","","","","","","1.224","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133838","9.9703","0.0003","20.0608","0.0005","12.5179","0.0004","90","","111.886","0.004","90","","2323.28","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 N12 O28 Rb Tb -","- C28 H56 N12 O28 Rb Tb -","- C56 H112 N24 O56 Rb2 Tb2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.034","0.027","","","0.049","0.0503","","","","","","1.025","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133839","9.9892","0.0003","9.9304","0.0003","24.261","0.0009","90","","90","","90","","2406.61","0.14","363","2","363","2","","","","","","","","6","B 2 2 2","B 2 2","21","","","","- C24 H56 N12 O28 Rb Tb -","- C30 N8 O22 Rb Tb -","- C60 N16 O44 Rb2 Tb2 -","2","0.25","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0659","0.0563","","","0.1311","0.1377","","","","","","0.979","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133840","9.9623","0.0003","20.0585","0.0005","12.5073","0.0004","90","","111.841","0.004","90","","2319.92","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Dy N12 O28 Rb -","- C28 H56 Dy N12 O28 Rb -","- C56 H112 Dy2 N24 O56 Rb2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0368","0.0291","","","0.0622","0.0646","","","","","","0.876","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133841","9.9498","0.0007","9.8982","0.0007","24.245","0.003","90","","90","","90","","2387.8","0.4","363","2","363","2","","","","","","","","6","B 2 2 2","B 2 2","21","","","","- C24 H56 Dy N12 O28 Rb -","- C30 Dy N8 O22 Rb -","- C60 Dy2 N16 O44 Rb2 -","2","0.25","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0916","0.0713","","","0.1773","0.1896","","","","","","1.007","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133842","9.79844","0.00018","9.81368","0.00018","13.7967","0.0003","91.6924","0.0015","108.711","0.0017","90.5772","0.0015","1255.74","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H34 Ce0.5 K0.5 N12 O12 -","- C14 H34 Ce0.5 K0.5 N12 O12 -","- C28 H68 Ce K N24 O24 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.044","0.0426","","","0.0893","0.09","","","","","","1.038","","","","has coordinates","245531","2020-10-21","18:00:00",""
"4133843","10.1944","0.0003","10.0003","0.0003","22.7549","0.0005","90","","91.693","0.002","90","","2318.78","0.11","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C28 H56 Cs N12 O24 Sm -","- C28 H56 Cs N12 O24 Sm -","- C56 H112 Cs2 N24 O48 Sm2 -","2","0.5","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.054","0.039","","","0.1138","0.1215","","","","","","1.114","","","","has coordinates","245531","2020-10-21","18:00:00",""
"4133844","9.94644","0.00016","19.9635","0.0003","12.64102","0.00019","90","","111.967","0.0017","90","","2327.84","0.07","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Ce K N12 O28 -","- C28 H56 Ce K0.984 N12 O28 -","- C56 H112 Ce2 K1.968 N24 O56 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0252","0.0234","","","0.0577","0.0586","","","","","","1","","","","has coordinates","245531","2020-10-21","18:00:00",""
"4133845","9.9293","0.0003","9.8697","0.0003","24.3702","0.0009","90","","90","","90","","2388.26","0.14","343","2","343","2","","","","","","","","6","B 2 2 2","B 2 2","21","","","","- C24 H56 Ce K N12 O28 -","- C30 Ce K N8 O22 -","- C60 Ce2 K2 N16 O44 -","2","0.25","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0568","0.055","","","0.1343","0.1355","","","","","","1.243","","","","has coordinates","245531","2020-10-21","18:00:00",""
"4133846","9.9379","0.0004","19.9511","0.0006","12.6211","0.0005","90","","111.947","0.004","90","","2321.06","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Ce K N12 O28 -","- C28 H56 Ce K N12 O28 -","- C56 H112 Ce2 K2 N24 O56 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0475","0.0354","","","0.0596","0.0629","","","","","","0.964","","","","has coordinates","245531","2020-10-21","18:00:00",""
"4133847","9.9301","0.0003","9.8678","0.0003","24.3846","0.0008","90","","90","","90","","2389.4","0.13","343","2","343","2","","","","","","","","6","B 2 2 2","B 2 2","21","","","","- C24 H56 Ce K N12 O28 -","- C30 Ce K N8 O22 -","- C60 Ce2 K2 N16 O44 -","2","0.25","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0573","0.0541","","","0.1367","0.1397","","","","","","0.981","","","","has coordinates","245531","2020-10-21","18:00:00",""
"4133848","9.9132","0.0004","24.2676","0.0009","9.8306","0.0003","90","","90","","90","","2364.94","0.15","293","2","293","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C28 H56 Ce K N12 O28 -","- C34 Ce K N8 O24 -","- C68 Ce2 K2 N16 O48 -","2","0.125","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0541","0.0521","","","0.1329","0.1344","","","","","","1.087","","","","has coordinates,has disorder","245531","2020-10-21","18:00:00",""
"4133849","10.0274","0.0004","20.2215","0.0006","12.582","0.0005","90","","112.187","0.005","90","","2362.34","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H60 Ce N13 O28 -","- C28 H60 Ce N13 O28 -","- C56 H120 Ce2 N26 O56 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.1436","0.1327","","","0.3306","0.3374","","","","","","1.358","","","","has coordinates","245531","2020-10-21","18:00:00",""
"4133850","10.0737","0.0003","9.993","0.0003","24.153","0.0008","90","","90","","90","","2431.4","0.13","353","2","353","2","","","","","","","","5","B 2 2 2","B 2 2","21","","","","- C24 H56 Ce N13 O28 -","- C30 Ce N9 O22 -","- C60 Ce2 N18 O44 -","2","0.25","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0523","0.0507","","","0.1184","0.1199","","","","","","1.069","","","","has coordinates","245532","2020-10-21","18:00:00",""
"4133851","10.0131","0.0005","20.1738","0.001","12.5475","0.0007","90","","112.146","0.006","90","","2347.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H60 Ce N13 O28 -","- C28 H60 Ce N13 O28 -","- C56 H120 Ce2 N26 O56 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0754","0.0469","","","0.1371","0.1685","","","","","","0.614","","","","has coordinates","245532","2020-10-21","18:00:00",""
"4133852","10.0505","0.0002","23.9473","0.0004","9.9458","0.0002","90","","90","","90","","2393.78","0.08","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C28 H60 Ce N13 O28 -","- C34 Ce N9 O24 -","- C68 Ce2 N18 O48 -","2","0.125","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0413","0.041","","","0.0982","0.0984","","","","","","1.129","","","","has coordinates,has disorder","245532","2020-10-21","18:00:00",""
"4133853","10.007","0.0002","20.1662","0.0004","12.5708","0.0003","90","","112.089","0.003","90","","2350.63","0.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Ce N12 O28 Rb -","- C28 H56 Ce N12 O28 Rb -","- C56 H112 Ce2 N24 O56 Rb2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0317","0.0262","","","0.0552","0.0567","","","","","","0.892","","","","has coordinates","245532","2020-10-21","18:00:00",""
"4133854","10.0193","0.0005","20.1871","0.0007","12.6227","0.0006","90","","112.07","0.005","90","","2366","0.2","335","2","335","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Ce N12 O28 Rb -","- C28 H56 Ce N12 O28 Rb -","- C56 H112 Ce2 N24 O56 Rb2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0733","0.0428","","","0.0825","0.0927","","","","","","1.028","","","","has coordinates","245532","2020-10-21","18:00:00",""
"4133855","7.0884","0.0002","7.0884","0.0002","24.3105","0.0017","90","","90","","90","","1221.49","0.1","380","2","380","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C28 H52 Ce N12 O28 Rb -","- C40 Ce N12 O20 Rb -","- C40 Ce N12 O20 Rb -","1","0.0625","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0622","0.0506","","","0.11","0.1139","","","","","","1.034","","","","has coordinates","245532","2020-10-21","18:00:00",""
"4133856","10.0092","0.0003","20.1665","0.0005","12.5743","0.0003","90","","112.069","0.003","90","","2352.17","0.12","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Ce N12 O28 Rb -","- C28 H56 Ce N12 O28 Rb -","- C56 H112 Ce2 N24 O56 Rb2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0393","0.0298","","","0.0596","0.0621","","","","","","0.97","","","","has coordinates","245532","2020-10-21","18:00:00",""
"4133857","9.9845","0.0002","10.06085","0.00019","12.8014","0.0002","67.8066","0.0018","88.7764","0.0016","89.675","0.0016","1190.39","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H52 Ce N12 O28 Rb -","- C28 H46 Ce N12 O28 Rb -","- C28 H46 Ce N12 O28 Rb -","1","0.5","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.046","0.0403","","","0.1043","0.1095","","","","","","1.037","","","","has coordinates","245532","2020-10-21","18:00:00",""
"4133858","11.1341","0.0008","11.4202","0.0008","17.6484","0.0013","98.088","0.002","107.59","0.002","101.597","0.002","2046.1","0.3","150","2","150","","","","","","","","","7","P -1","-P 1","2","","Ph2-Me2-PQPL+","","- C53 H35 Cl F3 N2 O3 S -","- C53 H35 Cl F3 N2 O3 S -","- C106 H70 Cl2 F6 N4 O6 S2 -","2","1","","Imran, Muhammad; Wehrmann, Caleb M.; Chen, Mark S.","Open-Shell Effects on Optoelectronic Properties: Antiambipolar Charge Transport and Anti-Kasha Doublet Emission from a <i>N</i>-substituted Bisphenalenyl.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10677","","x-ray","0.71073","MoKα","","0.1064","0.0794","","","0.217","0.2366","","","","","","1.036","","","","has coordinates,has disorder","245556","2020-10-21","18:00:00",""
"4133859","31.1274","0.0004","9.5504","0.0001","25.3582","0.0003","90","","99.34","0.001","90","","7438.52","0.15","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44.57 H29.71 B1.14 F22.86 N1.14 Si1.14 -","- C44.5714 H29.7143 B1.14286 F22.8571 N1.14286 Si1.14286 -","- C312 H208 B8 F160 N8 Si8 -","7","0.875","","Fernandes, Anthony Julien; Laye, Claire; Pramanik, Suman; Palmeira, Dayvson; Ömür Pekel, Özgen; Massip, Stéphane; Schmidtmann, Marc; Müller, Thomas; Robert, Frédéric; Landais, Yannick","Chiral Memory in Silyl-Pyridinium and Quinolinium Cations.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11704","","","1.54184","CuKα","","0.0768","0.076","","","0.2066","0.2072","","","","","","1.055","","","","has coordinates","245557","2020-10-21","18:00:00",""
"4133860","5.0321","0.0001","18.5414","0.0004","11.6101","0.0002","90","","94.44","0.002","90","","1080","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H32 N2 O5 -","- C22 H32 N2 O5 -","- C44 H64 N4 O10 -","2","1","","Fanelli, Rossana; Berta, Dénes; Földes, Tamás; Rosta, Edina; Atkinson, Robert Andrew; Hofmann, Hans-Jörg; Shankland, Kenneth; Cobb, Alexander J. A.","Organocatalytic Access to a <i>cis</i>-Cyclopentyl-γ-amino Acid: An Intriguing Model of Selectivity and Formation of a Stable 10/12-Helix from the Corresponding γ/α-Peptide.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10861","","x-ray","1.54184","CuKα","","0.0383","0.0343","","","0.0828","0.0848","","","","","","1.068","","","","has coordinates","245558","2020-10-21","18:00:00",""
"4133861","6.4204","0.0002","11.9299","0.0004","11.1764","0.0004","90","","95.772","0.003","90","","851.71","0.05","153","5","153","5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O6 -","- C17 H25 N O6 -","- C34 H50 N2 O12 -","2","1","","Fanelli, Rossana; Berta, Dénes; Földes, Tamás; Rosta, Edina; Atkinson, Robert Andrew; Hofmann, Hans-Jörg; Shankland, Kenneth; Cobb, Alexander J. A.","Organocatalytic Access to a <i>cis</i>-Cyclopentyl-γ-amino Acid: An Intriguing Model of Selectivity and Formation of a Stable 10/12-Helix from the Corresponding γ/α-Peptide.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10861","","x-ray","1.54184","CuKα","","0.031","0.0292","","","0.0719","0.0737","","","","","","1.097","","","","has coordinates","245559","2020-10-21","18:00:00",""
"4133862","11.77657","0.00019","14.5949","0.0003","23.1173","0.0005","90","","91.2943","0.0017","90","","3972.34","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H69 O Si2 U -","- C40 H69 O Si2 U -","- C160 H276 O4 Si8 U4 -","4","1","","Tsoureas, Nikolaos; Maron, Laurent; Kilpatrick, Alexander F. R.; Layfield, Richard A.; Cloke, F Geoffrey N","Ethene Activation and Catalytic Hydrogenation by a Low-Valent Uranium Pentalene Complex.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11929","","x-ray","1.54184","CuKα","","0.1066","0.0678","","","0.1598","0.1767","","","","","","1.016","","","","has coordinates","245560","2020-10-21","18:00:00",""
"4133863","14.3554","0.0002","21.7474","0.0003","26.1966","0.0003","90","","102.41","0.001","90","","7987.3","0.18","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C74 H126 Si4 U2 -","- C74 H126 Si4 U2 -","- C296 H504 Si16 U8 -","4","0.5","","Tsoureas, Nikolaos; Maron, Laurent; Kilpatrick, Alexander F. R.; Layfield, Richard A.; Cloke, F Geoffrey N","Ethene Activation and Catalytic Hydrogenation by a Low-Valent Uranium Pentalene Complex.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11929","","","1.54184","CuKα","","0.033","0.0261","","","0.06","0.0617","","","","","","1.031","","","","has coordinates","245560","2020-10-21","18:00:00",""
"4133864","9.3674","0.0005","14.1728","0.0007","15.4346","0.0009","102.3","0.003","103.122","0.003","107.338","0.003","1816.05","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H68 Cl12 N6 O12 -","- C72 H68 Cl12 N6 O12 -","- C72 H68 Cl12 N6 O12 -","1","0.5","","Yin, Jingwei; Khalilov, Ali N.; Muthupandi, Pandi; Ladd, Ruby; Birman, Vladimir B.","Phenazine-1,6-dicarboxamides: redox-responsive molecular switches.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11160","","","1.54178","CuKα","","0.1103","0.0904","","","0.2172","0.2348","","","","","","1.085","","","","has coordinates,has disorder","246202","2020-10-21","18:00:00",""
"4133865","10.464","0.002","15.367","0.003","26.131","0.006","73.79","0.004","88.028","0.004","72.853","0.004","3850.2","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H69 Cl4 N12 O19 -","- C80 H69 Cl4 N12 O19 -","- C160 H138 Cl8 N24 O38 -","2","1","","Wang, Zhen; He, Xuewen; Yong, Tuying; Miao, Yu; Zhang, Chun; Zhong Tang, Ben","Multicolor Tunable Polymeric Nanoparticle from the Tetraphenylethylene Cage for Temperature Sensing in Living Cells.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11544","","","0.71073","MoKα","","0.207","0.1077","","","0.2869","0.3755","","","","","","1.089","","","","has coordinates","246268","2020-10-21","18:00:00",""
"4133866","8.8952","0.0003","11.4019","0.0004","20.569","0.0007","84.5548","0.0012","89.4723","0.0012","67.0952","0.0012","1912.12","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H88 Cl16 N2 Sb2 -","- C66 H88 Cl16 N2 Sb2 -","- C66 H88 Cl16 N2 Sb2 -","1","0.5","","Ji, Xiaozhou; Xie, Haomiao; Zhu, Congzhi; Zou, Yang; Mu, Anthony U.; Al-Hashimi, Mohammed; Dunbar, Kim R.; Fang, Lei","Pauli Paramagnetism of Stable Analogues of Pernigraniline Salt Featuring Ladder-Type Constitution.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12626","","","1.54178","CuKα","","0.0436","0.0403","","","0.096","0.0987","","","","","","1.095","","","","has coordinates,has disorder","246269","2020-10-21","18:00:00",""
"4133867","20.9363","0.0013","10.6422","0.0007","11.1562","0.0007","90","","98.087","0.002","90","","2461","0.3","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C62 H78 N2 -","- C62 H78 N2 -","- C124 H156 N4 -","2","0.5","","Ji, Xiaozhou; Xie, Haomiao; Zhu, Congzhi; Zou, Yang; Mu, Anthony U.; Al-Hashimi, Mohammed; Dunbar, Kim R.; Fang, Lei","Pauli Paramagnetism of Stable Analogues of Pernigraniline Salt Featuring Ladder-Type Constitution.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12626","","","0.71073","MoKα","","0.0826","0.0691","","","0.1573","0.1689","","","","","","1.141","","","","has coordinates","246270","2020-10-21","18:00:00",""
"4133868","5.7221","0.0005","5.7221","0.0005","45.787","0.006","90","","90","","90","","1499.2","0.3","420","2","420","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C8 H32 Cl10 N4 Pb3 -","- C8 H35.2 Cl10 N4 Pb3 -","- C16 H70.4 Cl20 N8 Pb6 -","2","0.0625","","Wang, Sasa; Li, Lina; Weng, Wen; Ji, Chengmin; Liu, Xitao; Sun, Zhihua; Lin, Wenxiong; Hong, Maochun; Luo, Junhua","Trilayered Lead Chloride Perovskite Ferroelectric Affording Self-Powered Visible-Blind Ultraviolet Photodetection with Large Zero-Bias Photocurrent.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10919","","","0.71073","MoKα","","0.0593","0.0421","","","0.1338","0.1697","","","","","","1.322","","","","has coordinates","246271","2020-10-21","18:00:00",""
"4133869","45.5393","0.0019","8.1051","0.0003","8.0343","0.0002","90","","90","","90","","2965.46","0.18","295","2","295","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C8 H32 Cl10 N4 Pb3 -","- C8 H32 Cl10 N4 Pb3 -","- C32 H128 Cl40 N16 Pb12 -","4","0.5","","Wang, Sasa; Li, Lina; Weng, Wen; Ji, Chengmin; Liu, Xitao; Sun, Zhihua; Lin, Wenxiong; Hong, Maochun; Luo, Junhua","Trilayered Lead Chloride Perovskite Ferroelectric Affording Self-Powered Visible-Blind Ultraviolet Photodetection with Large Zero-Bias Photocurrent.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10919","","","0.71073","MoKα","","0.0445","0.0375","","","0.0937","0.0991","","","","","","1.031","","","","has coordinates","246272","2020-10-21","18:00:00",""
"4133870","3.471","","19.3414","0.0006","20.4117","0.0008","68.91","0.003","85.125","0.002","84.854","0.002","1271.33","0.07","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C6 H7 Ag2 N9 O3 -","- C6 H7 Ag2 N9 O3 -","- C24 H28 Ag8 N36 O12 -","4","4","","Meng, Peng; Brock, Aidan; Xu, Yanan; Han, Chenhui; Chen, Su; Yan, Cheng; McMurtrie, John; Xu, Jingsan","Crystal Transformation from the Incorporation of Coordinate Bonds into a Hydrogen-Bonded Network Yields Robust Free-Standing Supramolecular Membranes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11336","","","0.7108","Synchrotron","","0.1029","0.0935","","","0.2542","0.2718","","","","","","1.166","","","","has coordinates","246273","2020-10-21","18:00:00",""
"4133871","11.238","","11.741","","18.649","","90","","90","","90","","2460.65","","100","2","100.04","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 O3 -","- C28 H42 O3 -","- C112 H168 O12 -","4","1","","Duecker, Fenja L.; Heinze, Robert C.; Heretsch, Philipp","Synthesis of Swinhoeisterol A, Dankasterone A and B, and Periconiastone A by Radical Framework Reconstruction.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12899","","","0.71073","MoKα","","0.0563","0.0537","","","0.1233","0.1244","","","","","","1.14","","","","has coordinates","246274","2020-10-21","18:00:00",""
"4133872","9.8801","0.0014","11.6963","0.0017","11.5219","0.0017","90","","104.747","0.005","90","","1287.6","0.3","","","99.96","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H41 I O2 -","- C28 H41 I O2 -","- C56 H82 I2 O4 -","2","1","","Duecker, Fenja L.; Heinze, Robert C.; Heretsch, Philipp","Synthesis of Swinhoeisterol A, Dankasterone A and B, and Periconiastone A by Radical Framework Reconstruction.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12899","","","0.71073","MoKα","","0.0277","0.0226","","","0.0463","0.0485","","","","","","1.0496","","","","has coordinates","246275","2020-10-21","18:00:00",""
"4133873","34.7781","0.0017","9.8274","0.0005","16.9245","0.0008","90","","104.069","0.0012","90","","5610.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Co F6 N6 O6 S2 -","- C20 H30 Co F6 N6 O6 S2 -","- C160 H240 Co8 F48 N48 O48 S16 -","8","2","","Fernández, Sergio; Franco, Federico; Casadevall, Carla; Martin-Diaconescu, Vlad; Luis, Josep M.; Lloret-Fillol, Julio","A Unified Electro- and Photocatalytic CO<sub>2</sub> to CO Reduction Mechanism with Aminopyridine Cobalt Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b06633","","","0.71073","MoKα","","0.065","0.0511","","","0.1456","0.1548","","","","","","1.021","","","","has coordinates,has disorder","246276","2020-10-21","18:00:00",""
"4133874","8.0791","0.0003","9.2458","0.0004","12.7757","0.0005","90","","92.4726","0.0014","90","","953.43","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H46.9 Co2 F12 N8 O6 P2 -","- C30 H46.9 Co2 F12 N8 O6 P2 -","- C30 H46.9 Co2 F12 N8 O6 P2 -","1","0.5","","Fernández, Sergio; Franco, Federico; Casadevall, Carla; Martin-Diaconescu, Vlad; Luis, Josep M.; Lloret-Fillol, Julio","A Unified Electro- and Photocatalytic CO<sub>2</sub> to CO Reduction Mechanism with Aminopyridine Cobalt Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b06633","","","0.71073","MoKα","","0.0568","0.0383","","","0.0863","0.0941","","","","","","1.058","","","","has coordinates,has disorder","246277","2020-10-21","18:00:00",""
"4133875","14.6681","0.0009","15.558","0.001","19.0036","0.0012","90","","99.766","0.002","90","","4273.9","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H48 Cl2 Co N4 O5 P -","- C47 H48 Cl2 Co N4 O5 P -","- C188 H192 Cl8 Co4 N16 O20 P4 -","4","1","","van Leest, Nicolaas P.; Tepaske, Martijn A.; Oudsen, Jean-Pierre H; Venderbosch, Bas; Rietdijk, Niels R.; Siegler, Maxime A.; Tromp, Moniek; van der Vlugt, Jarl Ivar; de Bruin, Bas","Ligand Redox Non-Innocence in [Co<sup>III</sup>(TAML)]<sup>0/‒</sup> Complexes Affects Nitrene Formation.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11715","","","0.71073","MoKα","","0.073","0.0394","","","0.113","0.1395","","","","","","0.965","","","","has coordinates","246311","2020-10-21","18:00:00",""
"4133876","21.4066","0.0019","43.288","0.003","10.1268","0.0007","90","","90","","90","","9384","1.2","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","ligand hexane-THF","","","- C19 H24 Cl2 N4 O4 -","- C19 H24 Cl2 N4 O4 -","- C304 H384 Cl32 N64 O64 -","16","1","","van Leest, Nicolaas P.; Tepaske, Martijn A.; Oudsen, Jean-Pierre H; Venderbosch, Bas; Rietdijk, Niels R.; Siegler, Maxime A.; Tromp, Moniek; van der Vlugt, Jarl Ivar; de Bruin, Bas","Ligand Redox Non-Innocence in [Co<sup>III</sup>(TAML)]<sup>0/‒</sup> Complexes Affects Nitrene Formation.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11715","","","0.71073","MoKα","","0.0237","0.0227","","","0.0595","0.0602","","","","","","1.031","","","","has coordinates","246312","2020-10-21","18:00:00",""
"4133877","15.304","0.003","13.575","0.003","20.004","0.004","90","","95.89","0.03","90","","4133.9","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H55 Au N2 -","- C53 H55 Au N2 -","- C212 H220 Au4 N8 -","4","1","","Lee, Chin-Ho; Tang, Man-Chung; Kong, Fred Ka-Wai; Cheung, Wai-Lung; Ng, Maggie; Chan, Mei-Yee; Yam, Vivian Wing-Wah","Isomeric Tetradentate Ligand-Containing Cyclometalated Gold(III) Complexes","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11587","","","0.82653","synchrotron","","0.05","0.0495","","","0.1403","0.141","","","","","","1.079","","","","has coordinates","246313","2020-10-21","18:00:00",""
"4133878","21.975","0.004","22.822","0.005","50.375","0.01","90","","90","","90","","25264","9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C53 H55 Au N2 -","- C53 H55 Au N2 -","- C1272 H1320 Au24 N48 -","24","3","","Lee, Chin-Ho; Tang, Man-Chung; Kong, Fred Ka-Wai; Cheung, Wai-Lung; Ng, Maggie; Chan, Mei-Yee; Yam, Vivian Wing-Wah","Isomeric Tetradentate Ligand-Containing Cyclometalated Gold(III) Complexes","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11587","","","0.82653","synchrotron","","0.0549","0.044","","","0.1133","0.1209","","","","","","1.044","","","","has coordinates,has disorder","246314","2020-10-21","18:00:00",""
"4133879","19.0957","0.0003","18.7627","0.0003","20.0038","0.0003","90","","90","","90","","7167.1","0.19","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H132 N2 O19 V6 -","- C56 H132 N2 O19 V6 -","- C224 H528 N8 O76 V24 -","4","0.5","","Petel, Brittney E.; Meyer, Rachel L.; Maiola, Michela L.; Brennessel, William W.; Müller, Astrid M; Matson, Ellen M.","Site-Selective Halogenation of Polyoxovanadate Clusters: Atomically Precise Models for Electronic Effects of Anion Doping in VO2.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11874","","x-ray","1.54184","CuKα","","0.0404","0.0352","","","0.0931","0.0961","","","","","","1.076","","","","has coordinates","246332","2020-10-21","18:00:00",""
"4133880","20.922","0.0004","11.5781","0.0001","23.8929","0.0004","90","","122.394","0.003","90","","4887.1","0.2","100","0.4","100","0.4","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H80 Cl N O18 V6 -","- C32 H80 Cl N O18 V6 -","- C128 H320 Cl4 N4 O72 V24 -","4","0.5","","Petel, Brittney E.; Meyer, Rachel L.; Maiola, Michela L.; Brennessel, William W.; Müller, Astrid M; Matson, Ellen M.","Site-Selective Halogenation of Polyoxovanadate Clusters: Atomically Precise Models for Electronic Effects of Anion Doping in VO2.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11874","","x-ray","1.54184","CuKα","","0.0463","0.0436","","","0.1224","0.1249","","","","","","1.057","","","","has coordinates,has disorder","246333","2020-10-21","18:00:00",""
"4133881","13.171","0.0004","11.3315","0.0004","12.6496","0.0004","90","","90","","90","","1887.92","0.11","100","2","100","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C18 H26 Co F6 P -","- C18 H26 Co F6 P -","- C72 H104 Co4 F24 P4 -","4","0.25","","Zhu, Tianyu; Sha, Ye; Adabi Firouzjaie, Horie; Peng, Xiong; Cha, Yujin; Dissanayake, D. M. M. Mevan; Smith, Mark D.; Vannucci, Aaron K.; Mustain, William Earl; Tang, Chuanbing","Rational Synthesis of Metallo-Cations Toward Redox- and Alkaline-Stable Metallo-Polyelectrolytes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12051","","x-ray","0.71073","MoKα","","0.0388","0.0335","","","0.072","0.0737","","","","","","1.271","","","","has coordinates","246334","2020-10-21","18:00:00",""
"4133882","11.6313","0.0004","9.8968","0.0004","8.6586","0.0003","90","","105.259","0.002","90","","961.58","0.06","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C18 H26 Co F6 P -","- C18 H26 Co F6 P -","- C36 H52 Co2 F12 P2 -","2","0.25","","Zhu, Tianyu; Sha, Ye; Adabi Firouzjaie, Horie; Peng, Xiong; Cha, Yujin; Dissanayake, D. M. M. Mevan; Smith, Mark D.; Vannucci, Aaron K.; Mustain, William Earl; Tang, Chuanbing","Rational Synthesis of Metallo-Cations Toward Redox- and Alkaline-Stable Metallo-Polyelectrolytes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12051","","x-ray","0.71073","MoKα","","0.0253","0.0228","","","0.0586","0.0603","","","","","","1.086","","","","has coordinates","246335","2020-10-21","18:00:00",""
"4133883","10.8185","0.0003","10.8185","0.0003","6.6735","0.0002","90","","90","","90","","781.07","0.04","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H18 Co F6 P -","- C14 H18 Co F6 P -","- C28 H36 Co2 F12 P2 -","2","0.25","","Zhu, Tianyu; Sha, Ye; Adabi Firouzjaie, Horie; Peng, Xiong; Cha, Yujin; Dissanayake, D. M. M. Mevan; Smith, Mark D.; Vannucci, Aaron K.; Mustain, William Earl; Tang, Chuanbing","Rational Synthesis of Metallo-Cations Toward Redox- and Alkaline-Stable Metallo-Polyelectrolytes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12051","","x-ray","0.71073","MoKα","","0.0211","0.0197","","","0.0495","0.0502","","","","","","1.142","","","","has coordinates,has disorder","246336","2020-10-21","18:00:00",""
"4133884","10.1801","0.0005","25.8207","0.0013","11.3019","0.0006","90","","112.92","0.002","90","","2736.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Co F6 P -","- C26 H42 Co F5.994 P0.999 -","- C104 H168 Co4 F23.976 P3.996 -","4","1","","Zhu, Tianyu; Sha, Ye; Adabi Firouzjaie, Horie; Peng, Xiong; Cha, Yujin; Dissanayake, D. M. M. Mevan; Smith, Mark D.; Vannucci, Aaron K.; Mustain, William Earl; Tang, Chuanbing","Rational Synthesis of Metallo-Cations Toward Redox- and Alkaline-Stable Metallo-Polyelectrolytes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12051","","x-ray","0.71073","MoKα","","0.0521","0.0422","","","0.0936","0.0974","","","","","","1.077","","","","has coordinates,has disorder","246337","2020-10-21","18:00:00",""
"4133885","13.2837","0.0017","9.1759","0.0012","9.252","0.0012","90","","96.293","0.003","90","","1120.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Co F6 P -","- C10 H10 Co F6 P -","- C40 H40 Co4 F24 P4 -","4","1","","Zhu, Tianyu; Sha, Ye; Adabi Firouzjaie, Horie; Peng, Xiong; Cha, Yujin; Dissanayake, D. M. M. Mevan; Smith, Mark D.; Vannucci, Aaron K.; Mustain, William Earl; Tang, Chuanbing","Rational Synthesis of Metallo-Cations Toward Redox- and Alkaline-Stable Metallo-Polyelectrolytes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12051","","x-ray","0.71073","MoKα","","0.057","0.0368","","","0.0738","0.0806","","","","","","1.075","","","","has coordinates,has disorder","246338","2020-10-21","18:00:00",""
"4133886","6.5974","0.0002","15.3006","0.0005","16.726","0.0006","90","","90","","90","","1688.39","0.1","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C16 H22 Co F6 P -","- C16 H22 Co F6 P -","- C64 H88 Co4 F24 P4 -","4","0.5","","Zhu, Tianyu; Sha, Ye; Adabi Firouzjaie, Horie; Peng, Xiong; Cha, Yujin; Dissanayake, D. M. M. Mevan; Smith, Mark D.; Vannucci, Aaron K.; Mustain, William Earl; Tang, Chuanbing","Rational Synthesis of Metallo-Cations Toward Redox- and Alkaline-Stable Metallo-Polyelectrolytes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12051","","x-ray","0.71073","MoKα","","0.0345","0.0332","","","0.0824","0.083","","","","","","1.204","","","","has coordinates","246339","2020-10-21","18:00:00",""
"4133887","5.3541","0.0002","20.7114","0.001","23.3149","0.001","90","","90.828","0.004","90","","2585.14","0.19","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 Br2 -","- C36 H22 Br2 -","- C144 H88 Br8 -","4","1","","Fan, Qitang; Martin-Jimenez, Daniel; Werner, Simon; Ebeling, Daniel; Koehler, Tabea; Vollgraff, Tobias; Sundermeyer, Jörg; Hieringer, Wolfgang; Schirmeisen, Andre; Gottfried, J. Michael","On-Surface Synthesis and Characterization of a Cycloarene: C108 Graphene Ring.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10151","","","1.54178","CuKα","","0.099","0.0646","","","0.1717","0.1961","","","","","","1.038","","","","has coordinates,has disorder","246340","2020-10-21","18:00:00",""
"4133888","8.0507","0.0003","8.0718","0.0003","18.7029","0.0008","90","","97.229","0.004","90","","1205.72","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H12 Br3 N Pb S -","- C5 H12 Br3 N Pb S -","- C20 H48 Br12 N4 Pb4 S4 -","4","1","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Li, Peng-Fei; Ge, Jia-Zhen; Tang, Yuan-Yuan; Gao, Ji-Xing; Zhang, Wan-Ying; Fu, Da-Wei; You, Yu-Meng; Xiong, Ren-Gen","Two-dimensional layered perovskite ferroelectric with giant piezoelectric voltage coefficient.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12368","","","0.71073","MoKα","","0.0658","0.048","","","0.0719","0.0773","","","","","","1.028","","","","has coordinates","246341","2020-10-21","18:00:00",""
"4133889","26.972","0.005","8.9027","0.0018","7.9566","0.0016","90","","90","","90","","1910.6","0.6","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C10 H24 Br4 N2 O2 Pb -","- C10 H24 Br4 N2 O2 Pb -","- C40 H96 Br16 N8 O8 Pb4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Li, Peng-Fei; Ge, Jia-Zhen; Tang, Yuan-Yuan; Gao, Ji-Xing; Zhang, Wan-Ying; Fu, Da-Wei; You, Yu-Meng; Xiong, Ren-Gen","Two-dimensional layered perovskite ferroelectric with giant piezoelectric voltage coefficient.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12368","","","0.71073","MoKα","","0.0376","0.0344","","","0.0612","0.062","","","","","","1.068","","","","has coordinates","246342","2020-10-21","18:00:00",""
"4133890","26.89","0.003","8.8834","0.0009","8.0708","0.0008","90","","90","","90","","1927.9","0.3","443","2","443","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C10 H24 Br4 N2 O2 Pb -","- C10 H24 Br4 N2 O2 Pb -","- C40 H96 Br16 N8 O8 Pb4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Li, Peng-Fei; Ge, Jia-Zhen; Tang, Yuan-Yuan; Gao, Ji-Xing; Zhang, Wan-Ying; Fu, Da-Wei; You, Yu-Meng; Xiong, Ren-Gen","Two-dimensional layered perovskite ferroelectric with giant piezoelectric voltage coefficient.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12368","","","0.71073","MoKα","","0.1371","0.0857","","","0.2159","0.3528","","","","","","1.185","","","","has coordinates","246343","2020-10-21","18:00:00",""
"4133891","22.007","0.002","24.624","0.003","28.245","0.003","87.06","0.003","89.023","0.003","83.801","0.003","15195","3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C220 H330 Au40 S22 -","- C220 H330 Au40 S22 -","- C440 H660 Au80 S44 -","2","1","","Zhao, Yan; Zhuang, Shengli; Liao, Lingwen; Wang, Chengming; Xia, Nan; Gan, Zibao; Gu, Wanmiao; Li, Jin; Deng, Haiteng; Wu, Zhikun","A Dual Purpose Strategy to Endow Gold Nanoclusters with Both Catalysis Activity and Water Solubility.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11017","","","0.71073","MoKα","","0.1404","0.1119","","","0.2926","0.317","","","","","","1.058","","","","has coordinates","246436","2020-10-21","18:00:00",""
"4133892","12.8317","0.0004","36.498","0.0009","16.7295","0.0005","90","","105.66","0.003","90","","7544.1","0.4","293","","293","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H35 B Dy F13 N11 P S2 -","- C49 H35 B Dy F13 N11 P S2 -","- C196 H140 B4 Dy4 F52 N44 P4 S8 -","4","1","","Hojorat, Maher; Al Sabea, Hassan; Norel, Lucie; Bernot, Kevin; Roisnel, Thierry; Gendron, Frederic; Le Guennic, Boris; Trzop, Elzbieta; Collet, Eric; Long, Jeffrey R.; Rigaut, Stéphane","Hysteresis Photomodulation via Single-Crystal-to-Single-Crystal Isomerization of a Photochromic Chain of Dysprosium Single-Molecule Magnets.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10584","","x-ray","0.71073","MoKα","","0.1294","0.0661","","","0.1591","0.1953","","","","","","0.993","","","","has coordinates,has disorder","246437","2020-10-21","18:00:00",""
"4133893","13.0292","0.0004","36.0119","0.0009","16.3147","0.0013","90","","103.744","0.005","90","","7435.8","0.7","300","1","300","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H35 B Dy F13 N11 P S2 -","- C49 H35 B Dy F13 N11 P S2 -","- C196 H140 B4 Dy4 F52 N44 P4 S8 -","4","1","","Hojorat, Maher; Al Sabea, Hassan; Norel, Lucie; Bernot, Kevin; Roisnel, Thierry; Gendron, Frederic; Le Guennic, Boris; Trzop, Elzbieta; Collet, Eric; Long, Jeffrey R.; Rigaut, Stéphane","Hysteresis Photomodulation via Single-Crystal-to-Single-Crystal Isomerization of a Photochromic Chain of Dysprosium Single-Molecule Magnets.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10584","","x-ray","0.71073","MoKα","","0.1265","0.062","","","0.1385","0.1708","","","","","","0.971","","","","has coordinates,has disorder","246438","2020-10-21","18:00:00",""
"4133894","12.2884","0.0004","12.8082","0.0004","8.066","0.0003","90","","106.568","0.004","90","","1216.82","0.08","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O S -","- C14 H13 N O S -","- C56 H52 N4 O4 S4 -","4","1","","Cao, Wenxia; Dai, Fengying; Hu, Rongrong; Tang, Ben Zhong","Economic Sulfur Conversion to Functional Polythioamides Through Catalyst-free Multicomponent Polymerizations of Sulfur, Acids, and Amines.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11066","","x-ray","1.54184","CuKα","","0.0507","0.0433","","","0.116","0.1208","","","","","","1.039","","","","has coordinates","246439","2020-10-21","18:00:00",""
"4133895","9.1845","0.0002","11.3146","0.0002","12.5358","0.0003","90","","90","","90","","1302.71","0.05","100","2","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Yee, Danielle A.; Kakule, Thomas B.; Cheng, Wei; Chen, Mengbin; Chong, Christine T. Y.; Hai, Yang; Hang, Leibniz F.; Hung, Yiu-Sun; Liu, Nicholas; Ohashi, Masao; Okorafor, Ikechukwu C.; Song, Yongxiang; Tang, ManCheng; Zhang, Zhuan; Tang, Yi","Genome Mining of Alkaloidal Terpenoids from a Hybrid Terpene and Nonribosomal Peptide Biosynthetic Pathway.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b13046","","","1.54178","CuKα","","0.0297","0.0291","","","0.0743","0.0748","","","","","","1.051","","","","has coordinates","246482","2020-10-21","18:00:00",""
"4133896","19.216","0.0005","14.5222","0.0003","38.5485","0.0009","90","","102.952","0.002","90","","10483.6","0.4","123","2","123","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C120 H261 Ag2 Cl8 N7 O68 Si2 W18 -","- C120 H261 Ag2 Cl8 N7 O68 Si2 W18 -","- C240 H522 Ag4 Cl16 N14 O136 Si4 W36 -","2","0.5","","Yonesato, Kentaro; Ito, Hiroyasu; Itakura, Hiroyuki; Yokogawa, Daisuke; Kikuchi, Takashi; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Controlled Assembly Synthesis of Atomically Precise Ultrastable Silver Nanoclusters with Polyoxometalates.","Journal of the American Chemical Society","2019","141","50","19550","19554","10.1021/jacs.9b10569","","","0.71073","MoKα","","0.1305","0.0894","","","0.2045","0.2241","","","","","","1.065","","","","has coordinates,has disorder","246493","2020-10-21","18:00:00",""
"4133897","40.0068","0.0006","16.6856","0.0002","29.7859","0.0005","90","","100.207","0.0016","90","","19568.6","0.5","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C120 H268 Ag6 Cl8 N7 O68 Si2 W18 -","- C120 H268 Ag6 Cl8 N7 O68 Si2 W18 -","- C480 H1072 Ag24 Cl32 N28 O272 Si8 W72 -","4","0.5","","Yonesato, Kentaro; Ito, Hiroyasu; Itakura, Hiroyuki; Yokogawa, Daisuke; Kikuchi, Takashi; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Controlled Assembly Synthesis of Atomically Precise Ultrastable Silver Nanoclusters with Polyoxometalates.","Journal of the American Chemical Society","2019","141","50","19550","19554","10.1021/jacs.9b10569","","x-ray","0.71073","MoKα","","0.0627","0.0446","","","0.0957","0.103","","","","","","1.034","","","","has coordinates","246493","2020-10-21","18:00:00",""
"4133898","27.7691","0.0002","33.0762","0.0002","35.0235","0.0002","83.5033","0.0005","68.9814","0.0006","69.762","0.0006","28172.5","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C148 H328 Ag29 N14 O236 Si6 W54 -","- C148 H328 Ag29 N14 O236 Si6 W54 -","- C296 H656 Ag58 N28 O472 Si12 W108 -","2","1","","Yonesato, Kentaro; Ito, Hiroyasu; Itakura, Hiroyuki; Yokogawa, Daisuke; Kikuchi, Takashi; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Controlled Assembly Synthesis of Atomically Precise Ultrastable Silver Nanoclusters with Polyoxometalates.","Journal of the American Chemical Society","2019","141","50","19550","19554","10.1021/jacs.9b10569","","x-ray","0.71073","MoKα","","0.1084","0.0622","","","0.1449","0.1734","","","","","","1.012","","","","has coordinates,has disorder","246493","2020-10-21","18:00:00",""
"4133899","13.249","0.003","22.895","0.005","23.084","0.005","90","","96.9","0.03","90","","6951","3","113.15","","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71 H101 B3 Li N7 O Si -","- C71 H101 B3 Li N7 O Si -","- C284 H404 B12 Li4 N28 O4 Si4 -","4","1","","Zhu, Lizhao; Zhang, Jianying; Yang, Hao; Cui, Chunming","Synthesis of Silaketenimine Anion and Its Coupling with Isocyanide.","Journal of the American Chemical Society","2019","141","50","19600","19604","10.1021/jacs.9b11913","","","0.71073","MoKα","","0.0991","0.0794","","","0.1922","0.2063","","","","","","1.081","","","","has coordinates","246494","2020-10-21","18:00:00",""
"4133900","13.644","0.003","17.783","0.004","18.523","0.004","76.41","0.03","80","0.03","69.32","0.03","4066.6","1.8","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C87 H122 B3 Li N8 O Si -","- C87 H122 B3 Li N8 O Si -","- C174 H244 B6 Li2 N16 O2 Si2 -","2","1","","Zhu, Lizhao; Zhang, Jianying; Yang, Hao; Cui, Chunming","Synthesis of Silaketenimine Anion and Its Coupling with Isocyanide.","Journal of the American Chemical Society","2019","141","50","19600","19604","10.1021/jacs.9b11913","","","0.71073","MoKα","","0.0926","0.0692","","","0.182","0.208","","","","","","1.104","","","","has coordinates","246496","2020-10-21","18:00:00",""
"4133901","12.469","0.003","23.666","0.005","21.59","0.004","90","","100.59","0.03","90","","6263","2","113.15","","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H91 B3 Li N7 Si -","- C65 H91 B3 Li N7 Si -","- C260 H364 B12 Li4 N28 Si4 -","4","1","","Zhu, Lizhao; Zhang, Jianying; Yang, Hao; Cui, Chunming","Synthesis of Silaketenimine Anion and Its Coupling with Isocyanide.","Journal of the American Chemical Society","2019","141","50","19600","19604","10.1021/jacs.9b11913","","","0.71073","MoKα","","0.1256","0.0885","","","0.2173","0.2411","","","","","","1.057","","","","has coordinates","246497","2020-10-21","18:00:00",""
"4133902","24.1829","0.0008","11.061","0.0003","24.7085","0.0008","90","","112.408","0.002","90","","6110.2","0.3","100","2","100","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C54.5 H74.5 B Cu F3 N2 O3 Si -","- C54.503 H74.506 B Cu F3 N2 O3 Si -","- C218.012 H298.024 B4 Cu4 F12 N8 O12 Si4 -","4","2","","Paioti, Paulo H. S.; Del Pozo, Juan; Mikus, Malte S.; Lee, Jaehee; Koh, Ming Joo; Romiti, Filippo; Torker, Sebastian; Hoveyda, Amir H.","Catalytic Enantioselective Boryl and Silyl Substitution with Trifluoromethyl Alkenes: Scope, Utility, and Mechanistic Nuances of Cu-F β-Elimination.","Journal of the American Chemical Society","2019","141","50","19917","19934","10.1021/jacs.9b11382","","","1.54178","CuKα","","0.0704","0.0643","","","0.1762","0.1825","","","","","","1.067","","","","has coordinates,has disorder","246498","2020-10-21","18:00:00",""
"4133903","6.6591","0.0003","7.0377","0.0003","41.661","0.0016","90","","90","","90","","1952.43","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F2 N O4 Si -","- C19 H19 F2 N O4 Si -","- C76 H76 F8 N4 O16 Si4 -","4","1","","Paioti, Paulo H. S.; Del Pozo, Juan; Mikus, Malte S.; Lee, Jaehee; Koh, Ming Joo; Romiti, Filippo; Torker, Sebastian; Hoveyda, Amir H.","Catalytic Enantioselective Boryl and Silyl Substitution with Trifluoromethyl Alkenes: Scope, Utility, and Mechanistic Nuances of Cu-F β-Elimination.","Journal of the American Chemical Society","2019","141","50","19917","19934","10.1021/jacs.9b11382","","","1.54178","CuKα","","0.0422","0.0388","","","0.1","0.1025","","","","","","1.047","","","","has coordinates","246499","2020-10-21","18:00:00",""
"4133904","8.414","0.0004","8.8842","0.0004","11.9257","0.0006","102.293","0.0018","95.7488","0.0019","104.356","0.0019","832.74","0.07","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H23 B F2 O2 -","- C17 H23 B F2 O2 -","- C34 H46 B2 F4 O4 -","2","2","","Paioti, Paulo H. S.; Del Pozo, Juan; Mikus, Malte S.; Lee, Jaehee; Koh, Ming Joo; Romiti, Filippo; Torker, Sebastian; Hoveyda, Amir H.","Catalytic Enantioselective Boryl and Silyl Substitution with Trifluoromethyl Alkenes: Scope, Utility, and Mechanistic Nuances of Cu-F β-Elimination.","Journal of the American Chemical Society","2019","141","50","19917","19934","10.1021/jacs.9b11382","","","1.54178","CuKα","","0.056","0.0556","","","0.1379","0.1384","","","","","","1.065","","","","has coordinates","246501","2020-10-21","18:00:00",""
"4133905","16.603","0.0006","13.7487","0.0004","16.9259","0.0006","90","","110.253","0.002","90","","3624.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H43 Cu F3 N3 Si -","- C39 H43 Cu F3 N3 Si -","- C156 H172 Cu4 F12 N12 Si4 -","4","1","","Paioti, Paulo H. S.; Del Pozo, Juan; Mikus, Malte S.; Lee, Jaehee; Koh, Ming Joo; Romiti, Filippo; Torker, Sebastian; Hoveyda, Amir H.","Catalytic Enantioselective Boryl and Silyl Substitution with Trifluoromethyl Alkenes: Scope, Utility, and Mechanistic Nuances of Cu-F β-Elimination.","Journal of the American Chemical Society","2019","141","50","19917","19934","10.1021/jacs.9b11382","","","1.54178","CuKα","","0.0574","0.0555","","","0.1252","0.1261","","","","","","1.231","","","","has coordinates,has disorder","246502","2020-10-21","18:00:00",""
"4133906","17.8697","0.0006","16.4289","0.0005","16.6878","0.0005","90","","103.514","0.002","90","","4763.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Cu F3 N2 O Si -","- C50 H67 Cu F3 N2 O Si -","- C200 H268 Cu4 F12 N8 O4 Si4 -","4","1","","Paioti, Paulo H. S.; Del Pozo, Juan; Mikus, Malte S.; Lee, Jaehee; Koh, Ming Joo; Romiti, Filippo; Torker, Sebastian; Hoveyda, Amir H.","Catalytic Enantioselective Boryl and Silyl Substitution with Trifluoromethyl Alkenes: Scope, Utility, and Mechanistic Nuances of Cu-F β-Elimination.","Journal of the American Chemical Society","2019","141","50","19917","19934","10.1021/jacs.9b11382","","","1.54178","CuKα","","0.0519","0.0473","","","0.1262","0.1303","","","","","","1.03","","","","has coordinates,has disorder","246503","2020-10-21","18:00:00",""
"4133907","9.7884","0.0003","10.4455","0.0003","11.6886","0.0003","66.5672","0.0012","70.0783","0.0015","65.0638","0.0013","972.56","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C50 H42 N2 O4 -","2","1","","Wang, Yidong; Zhu, Jin; Durham, Austin C.; Lindberg, Haley; Wang, Yi-Ming","α-C-H Functionalization of π-Bonds Using Iron Complexes: Catalytic Hydroxyalkylation of Alkynes and Alkenes.","Journal of the American Chemical Society","2019","141","50","19594","19599","10.1021/jacs.9b11716","","","1.54178","CuKα","","0.0369","0.0344","","","0.125","0.128","","","","","","1.637","","","","has coordinates","246504","2020-10-21","18:00:00",""
"4133908","9.2388","0.0003","9.285","0.0003","16.9164","0.0005","99.14","0.001","93.674","0.001","107.59","0.001","1355.99","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 Br O -","- C16 H13 Br O -","- C64 H52 Br4 O4 -","4","2","","Wang, Yidong; Zhu, Jin; Durham, Austin C.; Lindberg, Haley; Wang, Yi-Ming","α-C-H Functionalization of π-Bonds Using Iron Complexes: Catalytic Hydroxyalkylation of Alkynes and Alkenes.","Journal of the American Chemical Society","2019","141","50","19594","19599","10.1021/jacs.9b11716","","","1.54178","CuKα","","0.0427","0.0416","","","0.1205","0.1218","","","","","","1.562","","","","has coordinates","246505","2020-10-21","18:00:00",""
"4133909","11.7674","0.001","12.161","0.001","28.605","0.003","83.764","0.002","80.941","0.002","78.3598","0.0017","3946.8","0.6","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H42.5 La N9 O23.25 P4 -","- C12 H24 La N9 O23.25 P4 -","- C48 H96 La4 N36 O93 P16 -","4","2","","Stein, Benjamin W.; Morgenstern, Amanda; Batista, Enrique R.; Birnbaum, Eva R.; Bone, Sharon E.; Cary, Samantha K.; Ferrier, Maryline G.; John, Kevin D.; Pacheco, Juan Lezama; Kozimor, Stosh A.; Mocko, Veronika; Scott, Brian L.; Yang, Ping","Advancing Chelation Chemistry for Actinium and Other +3 f-Elements, Am, Cm, and La.","Journal of the American Chemical Society","2019","141","49","19404","19414","10.1021/jacs.9b10354","","","0.71073","MoKα","","0.075","0.0471","","","0.1221","0.1314","","","","","","1.243","","","","has coordinates","246506","2020-10-21","18:00:00",""
"4133910","11.5979","0.0004","12.4869","0.0003","13.0234","0.0005","111.577","0.003","107.814","0.003","103.415","0.003","1538.21","0.12","213","","213","","","","","","","","","4","P -1","-P 1","2","","2,4,6,8-tetraphenyl-2,4,6,8-tetraaza-1,5(3,11)-didibenzo[a,j]phenazina-3,7(1,4)-dibenzenacyclooctaphane","","- C78 H50 Cl6 N8 -","- C78 H50 Cl6 N8 -","- C78 H50 Cl6 N8 -","1","0.5","","Izumi, Saika; Higginbotham, Heather F.; Nyga, Aleksandra; Stachelek, Patrycja; Tohnai, Norimitsu; Silva, Piotr de; Data, Przemyslaw; Takeda, Youhei; Minakata, Satoshi","Thermally Activated Delayed Fluorescent Donor-Acceptor-Donor-Acceptor π-Conjugated Macrocycle for Organic Light-Emitting Diodes.","Journal of the American Chemical Society","2020","142","3","1482","1491","10.1021/jacs.9b11578","","","1.54187","CuKα","","0.0729","0.0661","","","0.1885","0.1954","","","","","","1.077","","","","has coordinates","247533","2020-10-21","18:00:00",""
"4133911","8.76533","0.0001","40.6863","0.0004","21.4744","0.0002","90","","98.1999","0.001","90","","7580.09","0.14","93","","93","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2,4,6,8-tetraphenyl-2,4,6,8-tetraaza-1,5(3,11)-didibenzo[a,j]phenazina-3,7(1,4)-dibenzenacyclooctaphane","","- C81 H53 Cl15 N8 -","- C81 H52 Cl15 N8 -","- C324 H208 Cl60 N32 -","4","1","","Izumi, Saika; Higginbotham, Heather F.; Nyga, Aleksandra; Stachelek, Patrycja; Tohnai, Norimitsu; Silva, Piotr de; Data, Przemyslaw; Takeda, Youhei; Minakata, Satoshi","Thermally Activated Delayed Fluorescent Donor-Acceptor-Donor-Acceptor π-Conjugated Macrocycle for Organic Light-Emitting Diodes.","Journal of the American Chemical Society","2020","142","3","1482","1491","10.1021/jacs.9b11578","","","1.54187","CuKα","","0.1275","0.1104","","","0.3106","0.3274","","","","","","1.043","","","","has coordinates","247533","2020-10-21","18:00:00",""
"4133912","10.2772","0.0004","6.1873","0.0002","11.9566","0.0005","90","","113.206","0.004","90","","698.79","0.05","98","2","98","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 B O4 -","- C14 H19 B O4 -","- C28 H38 B2 O8 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0289","0.0286","","","0.0663","0.0664","","","","","","1.006","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133913","25.9588","0.0008","6.6139","0.0002","11.2968","0.0003","90","","92.514","0.002","90","","1937.67","0.1","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 B O3 -","- C22 H29 B O3 -","- C88 H116 B4 O12 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0642","0.0624","","","0.1233","0.1244","","","","","","1.064","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133914","7.9153","0.0002","9.4724","0.0002","12.8773","0.0002","100.926","0.002","101.026","0.002","94.341","0.002","924.2","0.04","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 B N O3 -","- C21 H24 B N O3 -","- C42 H48 B2 N2 O6 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0464","0.0458","","","0.1051","0.1055","","","","","","1.055","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133915","25.3806","0.0006","6.6166","0.0001","31.099","0.0008","90","","112.921","0.003","90","","4810.2","0.2","98","2","98","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C25 H34 B2 O4 -","- C25 H34 B2 O4 -","- C200 H272 B16 O32 -","8","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0561","0.0547","","","0.1191","0.12","","","","","","1.072","","","","has coordinates,has disorder","247535","2020-10-21","18:00:00",""
"4133916","7.5748","0.0002","7.5235","0.0002","13.5891","0.0004","90","","91.676","0.003","90","","774.1","0.04","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 B F3 N O -","- C6 H9 B F3 N O -","- C24 H36 B4 F12 N4 O4 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0347","0.0343","","","0.0863","0.0866","","","","","","1.05","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133917","10.5926","0.0002","21.6904","0.0003","14.3419","0.0002","90","","107.969","0.002","90","","3134.44","0.09","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 B O3 -","- C17 H21 B O3 -","- C136 H168 B8 O24 -","8","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0615","0.0588","","","0.1225","0.1243","","","","","","1.069","","","","has coordinates,has disorder","247535","2020-10-21","18:00:00",""
"4133918","8.4082","0.0005","8.7515","0.0005","10.3759","0.0003","107.497","0.004","105.684","0.004","97.298","0.005","682.79","0.07","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 B F3 O2 -","- C13 H16 B F3 O2 -","- C26 H32 B2 F6 O4 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0867","0.0758","","","0.1456","0.1491","","","","","","1.091","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133919","8.0689","0.0002","19.1049","0.0005","8.649","0.0002","90","","90","","90","","1333.29","0.06","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H11 B F3 K O5 -","- C10 H11 B F3 K O5 -","- C40 H44 B4 F12 K4 O20 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0222","0.0221","","","0.0593","0.0593","","","","","","1.089","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133920","14.7645","0.0004","7.7901","0.0002","16.2371","0.0004","90","","107.458","0.002","90","","1781.52","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 I N O4 -","- C18 H22 I N O4 -","- C72 H88 I4 N4 O16 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0338","0.0336","","","0.0918","0.092","","","","","","1.1","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133921","20.3444","0.0005","9.5619","0.0002","13.8608","0.0003","90","","103.721","0.002","90","","2619.41","0.1","98","3","98","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 B N O2 -","- C14 H18 B N O2 -","- C112 H144 B8 N8 O16 -","8","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0498","0.0488","","","0.1042","0.1049","","","","","","1.069","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133922","9.1074","0.0006","10.4748","0.0006","11.1129","0.0007","90.07","0.005","103.031","0.005","112.623","0.006","948.81","0.11","97","2","97","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 B N O3 -","- C22 H26 B N O3 -","- C44 H52 B2 N2 O6 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0485","0.0474","","","0.099","0.0998","","","","","","1.006","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133923","5.8375","0.0002","17.0381","0.0004","13.9958","0.0004","90","","94.048","0.002","90","","1388.55","0.07","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 B O4 -","- C14 H19 B O4 -","- C56 H76 B4 O16 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0433","0.0427","","","0.105","0.1055","","","","","","1.019","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133924","9.4219","0.0003","11.3625","0.0003","16.4678","0.0004","104.315","0.002","92.465","0.002","114.483","0.003","1533.34","0.09","98","2","98","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H38 B Cl3 O5 -","- C32 H38 B Cl3 O5 -","- C64 H76 B2 Cl6 O10 -","2","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.035","0.0342","","","0.0854","0.0861","","","","","","1.023","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133925","17.8482","0.0004","7.0235","0.0002","22.7583","0.0006","90","","90","","90","","2852.91","0.13","98","2","98","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H21 B O4 -","- C14 H21 B O4 -","- C112 H168 B8 O32 -","8","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0485","0.0476","","","0.1066","0.1072","","","","","","1.07","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133926","10.1479","0.0002","10.5387","0.0003","31.4024","0.0007","90","","90","","90","","3358.35","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 B O2 -","- C20 H21 B O2 -","- C160 H168 B8 O16 -","8","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0667","0.0644","","","0.1352","0.1366","","","","","","1.086","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133927","13.7679","0.0004","7.5766","0.0002","12.4291","0.0003","90","","92.295","0.002","90","","1295.49","0.06","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 B F O2 -","- C13 H18 B F O2 -","- C52 H72 B4 F4 O8 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.05","0.0493","","","0.1174","0.1179","","","","","","1.071","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133928","6.7381","0.0002","12.3279","0.0004","15.8619","0.0005","90","","96.91","0.003","90","","1308.02","0.07","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 B F O3 -","- C13 H18 B F O3 -","- C52 H72 B4 F4 O12 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0409","0.0407","","","0.0951","0.0953","","","","","","1.072","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133929","9.4792","0.0002","11.0501","0.0002","13.2369","0.0003","90","","90","","90","","1386.51","0.05","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 B O2 S -","- C13 H19 B O2 S -","- C52 H76 B4 O8 S4 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0254","0.0252","","","0.0665","0.0667","","","","","","1.015","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133930","17.2944","0.0014","6.5162","0.0004","11.397","0.0008","90","","106.818","0.008","90","","1229.44","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 B2 O4 -","- C26 H36 B2 O4 -","- C52 H72 B4 O8 -","2","0.5","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.071","0.0411","","","0.0715","0.0757","","","","","","1.038","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133931","27.1253","0.0012","6.6649","0.0002","12.131","0.0006","90","","119.012","0.006","90","","1917.93","0.18","98","2","98","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H26 B N O4 -","- C19 H26 B N O4 -","- C76 H104 B4 N4 O16 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0463","0.046","","","0.1273","0.1275","","","","","","1.076","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133932","10.008","0.0003","19.8705","0.0008","9.1491","0.0002","90","","90","","90","","1819.43","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H26 B N O4 -","- C17 H26 B N O4 -","- C68 H104 B4 N4 O16 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0361","0.0347","","","0.0785","0.0792","","","","","","1.09","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133933","8.5562","0.0003","13.8694","0.0006","6.9835","0.0003","90","","90","","90","","828.73","0.06","98","2","98","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C5 H5 B F4 K N O -","- C5 H5 B F4 K N O -","- C20 H20 B4 F16 K4 N4 O4 -","4","0.5","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0229","0.0229","","","0.0634","0.0634","","","","","","1.031","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133934","7.9672","0.0006","14.849","0.0011","15.3855","0.0011","99.669","0.002","100.389","0.003","103.341","0.003","1699.8","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 Au Cl2 N3 -","- C37 H36 Au N3 -","- C74 H72 Au2 N6 -","2","1","","Leung, Ming-Yi; Tang, Man-Chung; Cheung, Wai-Lung; Lai, Shiu-Lun; Ng, Maggie; Chan, Mei-Yee; Wing-Wah Yam, Vivian","Thermally Stimulated Delayed Phosphorescence (TSDP)-Based Gold(III) Complexes of Tridentate Pyrazine-Containing Pincer Ligand with Wide Emission Color Tunability and Their Application in Organic Light-Emitting Devices","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12136","","","1.34138","GaKα","","0.107","0.0863","","","0.1955","0.2083","","","","","","0.986","","","","has coordinates,has disorder","246779","2020-10-21","18:00:00",""
"4133935","13.0495","0.001","14.571","0.0011","19.6685","0.0016","86.267","0.003","86.395","0.003","76.885","0.003","3630.1","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C42.5 H39 Au Cl N3 -","- C42 H38 Au N3 -","- C168 H152 Au4 N12 -","4","2","","Leung, Ming-Yi; Tang, Man-Chung; Cheung, Wai-Lung; Lai, Shiu-Lun; Ng, Maggie; Chan, Mei-Yee; Wing-Wah Yam, Vivian","Thermally Stimulated Delayed Phosphorescence (TSDP)-Based Gold(III) Complexes of Tridentate Pyrazine-Containing Pincer Ligand with Wide Emission Color Tunability and Their Application in Organic Light-Emitting Devices","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12136","","","1.34138","GaKα","","0.0586","0.0396","","","0.0783","0.0853","","","","","","1.054","","","","has coordinates,has disorder","246780","2020-10-21","18:00:00",""
"4133936","14.7252","0.0012","14.9165","0.0012","16.888","0.0013","88.12","0.002","66.154","0.002","78.264","0.002","3316.8","0.5","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C83 H74 N6 O8 -","- C83 H74 N6 O8 -","- C166 H148 N12 O16 -","2","1","","Drigo, Nikita A.; Roldán-Carmona, Cristina; Franckevicius, Marius; Lin, Kun-Han; Gegevi Ius, Rokas; Kim, Hobeom; Schouwink, Pascal A.; Sutanto, Albertus Adrian; Olthof, Selina; Sohail, Muhammad; Meerholz, Klaus; Gulbinas, Vidmantas; Corminboeuf, Clémence; Paek, Sanghyun; Nazeeruddin, Mohammad Khaja","Doped but stable: spirobisacridine hole transporting materials for hysteresis-free and stable perovskite solar cells.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07166","","","0.71073","MoKα","","0.0666","0.0437","","","0.1007","0.1115","","","","","","1.03","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4133937","11.9458","0.0005","15.1939","0.0005","16.5538","0.0006","76.623","0.002","88.347","0.002","73.614","0.002","2802.19","0.18","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 N6 O8 S -","- C46 H60 N6 O8 S -","- C92 H120 N12 O16 S2 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.34139","GaKα","","0.1579","0.1139","","","0.2252","0.2461","","","","","","1.067","","","","has coordinates,has disorder","247524","2020-10-21","18:00:00",""
"4133938","11.7856","0.0002","15.0499","0.0004","17.5779","0.0004","68.685","0.002","71.465","0.002","71.534","0.002","2681.5","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H77 N6 O9 -","- C56 H77 N6 O9 -","- C112 H154 N12 O18 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.54184","CuKα","","0.0844","0.0725","","","0.1925","0.2013","","","","","","1.037","","","","has coordinates","247524","2020-10-21","18:00:00",""
"4133939","12.8492","0.0011","14.4967","0.0012","16.6539","0.0014","102.285","0.004","91.716","0.004","112.279","0.004","2783.8","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H62 N6 O8 -","- C50 H62 N6 O8 -","- C100 H124 N12 O16 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.54178","CuKα","","0.1597","0.0963","","","0.2107","0.2422","","","","","","1.078","","","","has coordinates","247524","2020-10-21","18:00:00",""
"4133940","12.0076","0.0006","14.8684","0.0007","17.0843","0.0008","73.739","0.002","86.373","0.003","68.275","0.002","2717.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H68 N6 O9 -","- C52 H68 N6 O9 -","- C104 H136 N12 O18 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.54178","CuKα","","0.2511","0.125","","","0.2221","0.2804","","","","","","1.003","","","","has coordinates","247524","2020-10-21","18:00:00",""
"4133941","12.13","0.002","14.831","0.003","16.344","0.003","78.46","0.03","88.91","0.03","69.37","0.03","2691.9","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H57 Cl6 N6 O4 -","- C48 H57 Cl6 N6 O4 -","- C96 H114 Cl12 N12 O8 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","0.68875","synchrotron","","0.2016","0.1903","","","0.3995","0.4041","","","","","","1.016","","","","has coordinates","247524","2020-10-21","18:00:00",""
"4133942","11.0628","0.0002","26.8155","0.0004","9.3804","0.0001","90","","98.755","0.001","90","","2750.31","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N4 O4 -","- C30 H36 N4 O4 -","- C120 H144 N16 O16 -","4","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.54178","CuKα","","0.065","0.0619","","","0.1635","0.1664","","","","","","1.028","","","","has coordinates","247524","2020-10-21","18:00:00",""
"4133943","11.7742","0.0005","17.2343","0.0008","13.6399","0.0006","90","","95.461","0.002","90","","2755.2","0.2","230","2","230.19","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.0849","0.0474","","","0.1035","0.1285","","","","","","1.025","","","","has coordinates","247534","2020-10-21","18:00:00",""
"4133944","11.6624","0.0004","17.1444","0.0005","13.6082","0.0004","90","","95.398","0.001","90","","2708.82","0.15","110","2","110.26","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.062","0.0424","","","0.0958","0.1104","","","","","","1.037","","","","has coordinates","247534","2020-10-21","18:00:00",""
"4133945","11.7141","0.0003","17.1834","0.0005","13.6219","0.0003","90","","95.444","0.001","90","","2729.56","0.12","170","2","170.2","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.0682","0.0434","","","0.0968","0.1161","","","","","","1.045","","","","has coordinates","247534","2020-10-21","18:00:00",""
"4133946","9.5948","0.0006","9.7067","0.0006","15.6253","0.0011","79.68","0.003","84.432","0.003","84.978","0.003","1421.28","0.16","297","2","296.79","","","","","","","","","2","P -1","-P 1","2","","","","- C40 H28 -","- C40 H28 -","- C80 H56 -","2","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.1615","0.0652","","","0.1163","0.1525","","","","","","1.004","","","","has coordinates","247534","2020-10-21","18:00:00",""
"4133947","11.8538","0.0005","17.2687","0.0007","13.6467","0.0006","90","","95.481","0.002","90","","2780.7","0.2","293","","296.79","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.114","0.0508","","","0.1131","0.1506","","","","","","1.002","","","","has coordinates","247534","2020-10-21","18:00:00",""
"4133948","17.8903","0.0005","18.0868","0.0004","30.1101","0.0008","90","","90","","90","","9743","0.4","219.99","0.18","219.99","0.18","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C58 H58 Cl2 -","- C58 H58 Cl2 -","- C464 H464 Cl16 -","8","1","","Gao, Guangpeng; Chen, Meng; Roberts, Josiah; Feng, Meng; Xiao, Chengyi; Zhang, Guowei; Parkin, Sean; Risko, Chad; Zhang, Lei","Rational Functionalization of a C<sub>70</sub> Buckybowl To Enable a C<sub>70</sub>:Buckybowl Cocrystal for Organic Semiconductor Applications.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12192","","x-ray","1.54184","CuKα","","0.1231","0.1048","","","0.2671","0.2862","","","","","","1.931","","","","has coordinates","246837","2020-10-21","18:00:00",""
"4133949","20.2079","0.0006","22.8871","0.0006","7.4713","0.0002","90","","90","","90","","3455.48","0.17","173","2","173.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C44 H40 Si2 -","- C44 H40 Si2 -","- C176 H160 Si8 -","4","1","","Gao, Guangpeng; Chen, Meng; Roberts, Josiah; Feng, Meng; Xiao, Chengyi; Zhang, Guowei; Parkin, Sean; Risko, Chad; Zhang, Lei","Rational Functionalization of a C<sub>70</sub> Buckybowl To Enable a C<sub>70</sub>:Buckybowl Cocrystal for Organic Semiconductor Applications.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12192","","","1.54178","CuKα","","0.1514","0.1362","","","0.331","0.3447","","","","","","2.585","","","","has coordinates,has disorder","246838","2020-10-21","18:00:00",""
"4133950","11.8645","0.0002","24.612","0.0003","14.0385","0.0002","90","","112.963","0.002","90","","3774.52","0.11","169.99","0.1","169.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 Cl2 Si2 -","- C44 H42 Cl2 Si2 -","- C176 H168 Cl8 Si8 -","4","1","","Gao, Guangpeng; Chen, Meng; Roberts, Josiah; Feng, Meng; Xiao, Chengyi; Zhang, Guowei; Parkin, Sean; Risko, Chad; Zhang, Lei","Rational Functionalization of a C<sub>70</sub> Buckybowl To Enable a C<sub>70</sub>:Buckybowl Cocrystal for Organic Semiconductor Applications.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12192","","x-ray","1.54184","CuKα","","0.0443","0.0393","","","0.1063","0.1135","","","","","","1.057","","","","has coordinates","246839","2020-10-21","18:00:00",""
"4133951","17.3007","0.0001","18.6049","0.0001","31.7768","0.0002","90","","102.475","0.001","90","","9986.76","0.11","219.97","0.15","219.97","0.15","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C65 H64 -","- C65 H64 -","- C520 H512 -","8","2","","Gao, Guangpeng; Chen, Meng; Roberts, Josiah; Feng, Meng; Xiao, Chengyi; Zhang, Guowei; Parkin, Sean; Risko, Chad; Zhang, Lei","Rational Functionalization of a C<sub>70</sub> Buckybowl To Enable a C<sub>70</sub>:Buckybowl Cocrystal for Organic Semiconductor Applications.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12192","","x-ray","1.54184","CuKα","","0.0644","0.0553","","","0.1405","0.1505","","","","","","1.031","","","","has coordinates,has disorder","246840","2020-10-21","18:00:00",""
"4133952","15.31234","0.00006","13.83765","0.00006","23.82042","0.00013","90","","98.3057","0.0004","90","","4994.29","0.04","170","0.1","170","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C79 H40 Si2 -","- C79 H40 Si2 -","- C316 H160 Si8 -","4","1","","Gao, Guangpeng; Chen, Meng; Roberts, Josiah; Feng, Meng; Xiao, Chengyi; Zhang, Guowei; Parkin, Sean; Risko, Chad; Zhang, Lei","Rational Functionalization of a C<sub>70</sub> Buckybowl To Enable a C<sub>70</sub>:Buckybowl Cocrystal for Organic Semiconductor Applications.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12192","","x-ray","1.54184","CuKα","","0.0636","0.0615","","","0.178","0.1815","","","","","","1.06","","","","has coordinates,has disorder","246841","2020-10-21","18:00:00",""
"4133953","23.3237","0.0011","6.7691","0.0003","13.9148","0.0005","90","","116.158","0.004","90","","1971.87","0.16","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C19.5 H19 Cl N2 O3 S2 -","- C19.5 H19 Cl N2 O3 S2 -","- C78 H76 Cl4 N8 O12 S8 -","4","1","","Li, Xiaolu; Chi, Lu-Ping; Navarro-Vázquez, Armando; Hwang, Songhwan; Schmieder, Peter; Li, Xiao-Ming; Li, Xin; Yang, Sui-Qun; Lei, Xinxiang; Wang, Bin-Gui; Sun, Han","Stereochemical Elucidation of Natural Products from Residual Chemical Shift Anisotropies in a Liquid Crystalline Phase.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10961","","","1.54178","CuKα","","0.0767","0.0649","","","0.1728","0.1859","","","","","","1.047","","","","has coordinates","246842","2020-10-21","18:00:00",""
"4133954","43.512","0.006","43.512","0.006","27.788","0.005","90","","90","","120","","45562","12","100","2","100.15","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C48 H80 K2 O40 -","- C48 H80 K2 O40 -","- C864 H1440 K36 O720 -","18","1","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","1.54178","CuKα","","0.0779","0.0665","","","0.1939","0.2115","","","","","","1.044","","","","has coordinates,has disorder","247525","2020-10-21","18:00:00",""
"4133955","31.089","0.002","31.089","0.002","61.485","0.006","90","","90","","90","","59427","8","100","2","100.1","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C186 H283 K6 O142 -","- C186 H283 K6 O142 -","- C1488 H2264 K48 O1136 -","8","1","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","1.54178","CuKα","","0.0936","0.0732","","","0.1932","0.2073","","","","","","1.004","","","","has coordinates,has disorder","247525","2020-10-21","18:00:00",""
"4133956","31.212","0.0012","31.212","0.0012","61.302","0.003","90","","90","","90","","59720","4","100","2","100.01","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C193 H311 K6 O154 -","- C193 H311 K6 O154 -","- C1544 H2488 K48 O1232 -","8","1","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","0.71073","MoKα","","0.1452","0.0736","","","0.1782","0.2147","","","","","","0.974","","","","has coordinates,has disorder","247525","2020-10-21","18:00:00",""
"4133957","31.0134","0.0014","31.0134","0.0014","31.0134","0.0014","90","","90","","90","","29830","2","100","2","100.07","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C48 H80 K2 O40 -","- C48 H80 K2 O40 -","- C576 H960 K24 O480 -","12","0.25","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","0.71073","MoKα","","0.1369","0.1085","","","0.3079","0.341","","","","","","1.347","","","","has coordinates","247525","2020-10-21","18:00:00",""
"4133958","26.397","0.002","12.179","0.0011","16.274","0.0018","90","","96.21","0.003","90","","5201.2","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H62 Cl2 O10 -","- C66 H62 Cl2 O10 -","- C264 H248 Cl8 O40 -","4","0.5","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.0729","0.0528","","","0.1324","0.1477","","","","","","1.026","","","","has coordinates","247528","2020-10-21","18:00:00",""
"4133959","8.593","0.003","18.778","0.006","19.167","0.005","62.663","0.01","84.421","0.011","85.31","0.03","2732","1.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C65 H60 O10 -","- C65 H60 O10 -","- C130 H120 O20 -","2","1","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.1935","0.1213","","","0.3163","0.3725","","","","","","1.021","","","","has coordinates,has disorder","247528","2020-10-21","18:00:00",""
"4133960","16.777","0.008","32.962","0.013","19.166","0.007","90","","91.3","0.2","90","","10596","8","373","2","373","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C65 H60 O10 -","- C65 H60 O10 -","- C520 H480 O80 -","8","2","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.1535","0.089","","","0.2247","0.2667","","","","","","1.02","","","","has coordinates,has disorder","247528","2020-10-21","18:00:00",""
"4133961","13.171","0.003","13.404","0.0013","17.673","0.0011","76.093","0.007","80.772","0.006","88.492","0.004","2989.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H66 Cl6 O10 -","- C68 H66 Cl6 O10 -","- C136 H132 Cl12 O20 -","2","1","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.0468","0.0436","","","0.1143","0.1169","","","","","","1.052","","","","has coordinates","247528","2020-10-21","18:00:00",""
"4133962","10.323","0.0015","13.772","0.0008","21.117","0.0006","107.381","0.003","86.9","0.01","99.769","0.01","2823.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C66.9 H63.8 Cl3.8 O10 -","- C66.9 H63.8 Cl3.8 O10 -","- C133.8 H127.6 Cl7.6 O20 -","2","1","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.0492","0.044","","","0.1164","0.1209","","","","","","1.023","","","","has coordinates,has disorder","247528","2020-10-21","18:00:00",""
"4133963","16.0633","0.0014","13.4867","0.0011","18.5991","0.0014","90","","90","","90","","4029.3","0.6","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","[mCH]Cu(O2N)(ClO4)2","","","- C35 H49 Cl2 Cu N7 O13 -","- C35 H49 Cl2 Cu N7 O13 -","- C140 H196 Cl8 Cu4 N28 O52 -","4","1","","Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata","Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.","Journal of the American Chemical Society","2020","142","4","1726","1730","10.1021/jacs.9b11597","","","0.71073","MoKα","","0.0734","0.0441","","","0.0785","0.0884","","","","","","1.018","","","","has coordinates","247532","2020-10-21","18:00:00",""
"4133964","13.007","0.004","16.788","0.005","18.574","0.006","90","","103.666","0.009","90","","3941","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[mCH]CuCl(ClO4)2","","","- C35 H49 Cl3 Cu N6 O11 -","- C35 H49 Cl3 Cu N6 O11 -","- C140 H196 Cl12 Cu4 N24 O44 -","4","1","","Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata","Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.","Journal of the American Chemical Society","2020","142","4","1726","1730","10.1021/jacs.9b11597","","","0.71073","MoKα","","0.0746","0.0447","","","0.1067","0.1219","","","","","","1.019","","","","has coordinates,has disorder","247532","2020-10-21","18:00:00",""
"4133965","12.2345","0.0019","12.3329","0.0018","13.275","0.002","112.421","0.004","110.003","0.005","96.959","0.005","1665.3","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[mC]Cu(O2N)(ClO4)","","","- C33 H45.35 Cl Cu N6 O9.17 -","- C33 H45.348 Cl Cu N6 O9.174 -","- C66 H90.696 Cl2 Cu2 N12 O18.348 -","2","1","","Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata","Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.","Journal of the American Chemical Society","2020","142","4","1726","1730","10.1021/jacs.9b11597","","","0.71073","MoKα","","0.0371","0.0305","","","0.0731","0.0765","","","","","","1.056","","","","has coordinates,has disorder","247532","2020-10-21","18:00:00",""
"4133966","21.826","0.002","14.923","0.0015","21.694","0.002","90","","104.035","0.003","90","","6855","1.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[mC]Zn(O2N)(ClO4)","","","- C33 H45 Cl N6 O9 Zn -","- C33 H45 Cl N6 O9 Zn -","- C264 H360 Cl8 N48 O72 Zn8 -","8","1","","Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata","Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.","Journal of the American Chemical Society","2020","142","4","1726","1730","10.1021/jacs.9b11597","","","0.71073","MoKα","","0.1747","0.0665","","","0.1144","0.134","","","","","","0.935","","","","has coordinates,has disorder","247532","2020-10-21","18:00:00",""
"4133967","7.1737","0.0004","9.0077","0.0005","11.2753","0.0006","78.169","0.004","76.779","0.005","84.426","0.004","693.25","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0335","0.029","","","0.0684","0.0718","","","","","","1.097","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133968","7.1724","0.0005","9.0455","0.0005","11.3389","0.0007","78.035","0.005","76.862","0.006","84.337","0.005","699.8","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0483","0.0381","","","0.0875","0.0962","","","","","","1.084","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133969","7.1985","0.0006","9.0868","0.0006","11.4367","0.0008","77.856","0.006","76.835","0.006","84.259","0.006","711.06","0.09","200","","200","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0457","0.0329","","","0.0737","0.0812","","","","","","1.057","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133970","7.1977","0.0005","9.1039","0.0005","11.47","0.0007","77.76","0.005","76.956","0.005","84.228","0.005","714.46","0.08","225","","225","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0404","0.0322","","","0.0736","0.0786","","","","","","1.052","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133971","7.2034","0.0005","9.1326","0.0005","11.5371","0.0007","77.61","0.005","76.995","0.005","84.19","0.005","721.17","0.08","250","","250","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0464","0.0329","","","0.0746","0.083","","","","","","1.03","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133972","7.2072","0.0005","9.1517","0.0005","11.5869","0.0006","77.501","0.005","77.039","0.005","84.118","0.005","725.96","0.08","265","","265","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0437","0.0357","","","0.09","0.0973","","","","","","1.042","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133973","7.2024","0.0004","9.176","0.0005","11.6626","0.0007","77.256","0.005","77.158","0.005","84.012","0.004","731.74","0.07","285","","285","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0448","0.0345","","","0.0849","0.0928","","","","","","1.047","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133974","7.2034","0.0004","9.1958","0.0006","11.7123","0.0008","77.17","0.006","77.261","0.005","83.959","0.005","736.55","0.08","290","","290","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0457","0.0357","","","0.0969","0.1065","","","","","","1.037","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133975","7.199","0.0004","9.2156","0.0005","11.7675","0.0008","76.977","0.005","77.346","0.006","83.954","0.005","740.85","0.08","295","","295","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0557","0.0404","","","0.0963","0.1095","","","","","","1.046","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133976","7.1877","0.0005","9.2267","0.0006","11.815","0.0008","76.824","0.006","77.466","0.006","83.877","0.005","743.4","0.09","297.5","0.1","297.5","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0651","0.0462","","","0.1276","0.1465","","","","","","1.044","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133977","7.167","0.0004","9.2494","0.0006","11.888","0.001","76.621","0.006","77.687","0.006","83.786","0.005","747.6","0.09","300","","300","","","","","","","","","4","B -1","-B 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0377","0.0368","","","0.0994","0.1004","","","","","","1.044","","","","has coordinates,has disorder","247531","2020-10-21","18:00:00",""
"4133978","7.1618","0.0005","9.2536","0.0006","11.8972","0.0009","76.583","0.006","77.727","0.006","83.757","0.005","747.94","0.09","302.5","","302.5","","","","","","","","","4","B -1","-B 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0389","0.0381","","","0.0989","0.0996","","","","","","1.079","","","","has coordinates,has disorder","247531","2020-10-21","18:00:00",""
"4133979","7.1683","0.0005","9.2643","0.0006","11.916","0.0008","76.588","0.006","77.763","0.006","83.749","0.006","750.78","0.09","304","","304","","","","","","","","","4","B -1","-B 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0415","0.0407","","","0.1135","0.1146","","","","","","1.07","","","","has coordinates,has disorder","247531","2020-10-21","18:00:00",""
"4133980","7.0229","0.0001","8.8503","0.0002","12.7614","0.0002","90","","90","","90","","793.18","0.02","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Bis(cyclopentadienyl)ruthenium(II)","","- C10 H10 Ru -","- C10 H10 Ru -","- C40 H40 Ru4 -","4","0.5","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","1.54184","CuKα","","0.019","0.0189","","","0.0531","0.0533","","","","","","1.102","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133981","11.9001","0.0003","15.8666","0.0004","22.7472","0.0005","90","","102.9","0.007","90","","4186.6","0.2","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","spiroCC","","","- C57 H40 Cl4 -","- C57 H40 Cl4 -","- C228 H160 Cl16 -","4","0.5","","Hamada, Hiroyoshi; Itabashi, Yuki; Shang, Rui; Nakamura, Eiichi","Axially Chiral Spiro-Conjugated Carbon-Bridged <i>p</i>-Phenylenevinylene Congeners: Synthetic Design and Materials Properties.","Journal of the American Chemical Society","2020","142","4","2059","2067","10.1021/jacs.9b13019","","","1.54187","CuKα","","0.0457","0.036","","","0.0867","0.0907","","","","","","1.04","","","","has coordinates","247529","2020-10-21","18:00:00",""
"4133982","22.8962","0.00004","22.8962","0.00004","22.8962","0.00004","90","","90","","90","","12003","0.04","293","","293","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Ga27 Rb8 Sb19 -","- Ga27 Rb8 Sb19 -","- Ga216 Rb64 Sb152 -","8","0.166667","","Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill","III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs<sub>8</sub>In<sub>27</sub>Sb<sub>19</sub> and <i>A</i><sub>8</sub>Ga<sub>27</sub>Sb<sub>19</sub> (<i>A</i> = Cs, Rb).","Journal of the American Chemical Society","2020","142","4","2031","2041","10.1021/jacs.9b12351","powder diffraction","x-ray","0.41275","synchrotron","","0.0514","0.0426","","0.0508","0.0499","","","","1.32","","","","","","","has coordinates","247530","2020-10-21","18:00:00",""
"4133983","22.9497","0.0008","22.9497","0.0008","22.9497","0.0008","90","","90","","90","","12087.3","0.7","100","2","100","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Cs8 Ga27 Sb19 -","- Cs8 Ga27 Sb19 -","- Cs64 Ga216 Sb152 -","8","0.166667","","Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill","III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs<sub>8</sub>In<sub>27</sub>Sb<sub>19</sub> and <i>A</i><sub>8</sub>Ga<sub>27</sub>Sb<sub>19</sub> (<i>A</i> = Cs, Rb).","Journal of the American Chemical Society","2020","142","4","2031","2041","10.1021/jacs.9b12351","","","0.71073","MoKα","","0.1654","0.0715","","","0.1194","0.149","","","","","","1.031","","","","has coordinates","247530","2020-10-21","18:00:00",""
"4133984","24.462","0.0008","24.462","0.0008","24.462","0.0008","90","","90","","90","","14637.8","0.8","100","2","100","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Cs8 In27 Sb19 -","- Cs8 In27 Sb19 -","- Cs64 In216 Sb152 -","8","0.166667","","Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill","III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs<sub>8</sub>In<sub>27</sub>Sb<sub>19</sub> and <i>A</i><sub>8</sub>Ga<sub>27</sub>Sb<sub>19</sub> (<i>A</i> = Cs, Rb).","Journal of the American Chemical Society","2020","142","4","2031","2041","10.1021/jacs.9b12351","","","0.71073","MoKα","","0.0334","0.0241","","","0.0533","0.0588","","","","","","1.219","","","","has coordinates","247530","2020-10-21","18:00:00",""
"4133985","24.4593","0.0007","24.4593","0.0007","24.4593","0.0007","90","","90","","90","","14633","0.7","10","2","10","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Cs8 In27 Sb19 -","- Cs8 In27 Sb19 -","- Cs64 In216 Sb152 -","8","0.166667","","Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill","III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs<sub>8</sub>In<sub>27</sub>Sb<sub>19</sub> and <i>A</i><sub>8</sub>Ga<sub>27</sub>Sb<sub>19</sub> (<i>A</i> = Cs, Rb).","Journal of the American Chemical Society","2020","142","4","2031","2041","10.1021/jacs.9b12351","","","0.24797","synchrotron","","0.0134","0.0112","","","0.0331","0.0384","","","","","","1.193","","","","has coordinates","247530","2020-10-21","18:00:00",""
"4133986","8.8504","0.0009","15.0485","0.0013","15.7936","0.0014","90","","90","","90","","2103.5","0.3","100","2","100.01","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Cl N2 O4 -","- C22 H31 Cl N2 O4 -","- C88 H124 Cl4 N8 O16 -","4","1","","Miller, Eric R.; Hovey, M. Todd; Scheidt, Karl A.","A Concise, Enantioselective Approach for the Synthesis of Yohimbine Alkaloids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12319","","","0.71073","MoKα","","0.0817","0.0513","","","0.1132","0.1268","","","","","","1.038","","","","has coordinates","247122","2020-10-21","18:00:00",""
"4133987","12.423","0.0012","8.3502","0.0008","23.217","0.002","90","","91.701","0.005","90","","2407.3","0.4","100","2","99.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H29 F3 N2 O6 -","- C24 H29 F3 N2 O6 -","- C96 H116 F12 N8 O24 -","4","2","","Miller, Eric R.; Hovey, M. Todd; Scheidt, Karl A.","A Concise, Enantioselective Approach for the Synthesis of Yohimbine Alkaloids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12319","","","1.54178","CuKα","","0.0316","0.031","","","0.0794","0.0799","","","","","","1.027","","","","has coordinates","247123","2020-10-21","18:00:00",""
"4133988","43.2323","0.0018","43.2323","0.0018","76.187","0.003","90","","90","","120","","123318","9","150","2","149.96","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C228 H206 B7 F28 N26 Pd12 S12 -","- C228 H206 B7 F28 N26 Pd12 S12 -","- C4104 H3708 B126 F504 N468 Pd216 S216 -","18","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.0836","0.0629","","","0.1733","0.1941","","","","","","1.024","","","","has coordinates,has disorder","247124","2020-10-21","18:00:00",""
"4133989","43.39","0.002","43.39","0.002","75.917","0.004","90","","90","","120","","123780","10","153","2","153.38","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C224 H198 B6 F24 N24 Pt12 S12 -","- C224 H198 B6 F24 N24 Pt12 S12 -","- C4032 H3564 B108 F432 N432 Pt216 S216 -","18","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.0705","0.0506","","","0.1325","0.1544","","","","","","1.058","","","","has coordinates,has disorder","247125","2020-10-21","18:00:00",""
"4133990","28.3945","0.0017","36.36","0.002","16.2541","0.001","90","","90","","90","","16781.1","1.7","174","2","174","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C136 H169 B4 F16 N15 O6 Pt6 S6 -","- C138 H169 B4 F16 N15 O6 Pt6 S6 -","- C552 H676 B16 F64 N60 O24 Pt24 S24 -","4","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.0749","0.0494","","","0.1251","0.1443","","","","","","1.069","","","","has coordinates,has disorder","247126","2020-10-21","18:00:00",""
"4133991","15.8619","0.0018","23.109","0.003","23.149","0.003","112.829","0.003","103.394","0.003","101.148","0.004","7218.4","1.6","193","2","193.43","","","","","","","","","8","P -1","-P 1","2","","","","- C240 H278 B6 F24 N26 O12 Pd12 S12 -","- C240 H278 B6 F24 N26 O12 Pd12 S12 -","- C240 H278 B6 F24 N26 O12 Pd12 S12 -","1","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.162","0.145","","","0.3419","0.3514","","","","","","1.082","","","","has coordinates,has disorder","247127","2020-10-21","18:00:00",""
"4133992","28.704","0.009","38.089","0.013","18.042","0.006","90","","90","","90","","19725","11","180","2","179.99","","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C597 H884 B16 Cl30 F64 N82 O66 Pt24 S24 -","- C597 H884 B16 Cl30 F64 N82 O66 Pt24 S24 -","- C597 H884 B16 Cl30 F64 N82 O66 Pt24 S24 -","1","0.25","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.0537","0.0399","","","0.0957","0.1018","","","","","","1.049","","","","has coordinates","247128","2020-10-21","18:00:00",""
"4133993","42.847","0.005","42.847","0.005","76.037","0.009","90","","90","","120","","120892","2","164","2","163.76","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C212 H188 B4 F16 N36 Pt12 S12 -","- C212 H188 B4 F16 N36 Pt12 S12 -","- C3816 H3384 B72 F288 N648 Pt216 S216 -","18","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.0964","0.0597","","","0.1601","0.2032","","","","","","1.046","","","","has coordinates,has disorder","247129","2020-10-21","18:00:00",""
"4133994","18.852","0.003","31.236","0.004","25.397","0.004","90","","107.462","0.005","90","","14266","4","167","2","166.94","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C260 H320 B6 F24 N24 O12 Pd12 S12 -","- C260 H320 B6 F24 N24 O12 Pd12 S12 -","- C520 H640 B12 F48 N48 O24 Pd24 S24 -","2","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","1.54178","CuKα","","0.0726","0.0698","","","0.191","0.1933","","","","","","1.054","","","","has coordinates,has disorder","247130","2020-10-21","18:00:00",""
"4133995","16.609","0.0013","18.7796","0.0015","23.567","0.002","91.662","0.002","93.669","0.003","106.756","0.002","7015.6","1","185","2","185.01","","","","","","","","","8","P -1","-P 1","2","","","","- C126 H154 B4 F16 N14 O7 Pt6 S6 -","- C126 H154 B4 F16 N14 O7 Pt6 S6 -","- C252 H308 B8 F32 N28 O14 Pt12 S12 -","2","1","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.0512","0.039","","","0.0819","0.0865","","","","","","1.049","","","","has coordinates,has disorder","247131","2020-10-21","18:00:00",""
"4133996","50.785","0.003","23.3504","0.0015","25.3445","0.0017","90","","99.525","0.002","90","","29640","3","153","2","153.01","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C236 H300 B7 F28 N28 O16 Pd12 S12 -","- C236 H300 B7 F28 N28 O16 Pd12 S12 -","- C944 H1200 B28 F112 N112 O64 Pd48 S48 -","4","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.1038","0.0859","","","0.2382","0.2576","","","","","","1.042","","","","has coordinates,has disorder","247132","2020-10-21","18:00:00",""
"4133997","42.816","0.0019","42.816","0.0019","76.435","0.003","90","","90","","120","","121349","9","150","2","150.01","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C436 H398 B12 F48 N77 Pd24 S24 -","- C436 H398 B12 F48 N77 Pd24 S24 -","- C3924 H3582 B108 F432 N693 Pd216 S216 -","9","0.25","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.1173","0.0733","","","0.2","0.2603","","","","","","1.055","","","","has coordinates,has disorder","247133","2020-10-21","18:00:00",""
"4133998","8.2839","0.0012","15.462","0.002","17.793","0.003","90","","90","","90","","2279","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O2 -","- C28 H29 N O2 -","- C112 H116 N4 O8 -","4","1","","Romero-Arenas, Antonio; Hornillos, Valentín; Iglesias-Sigüenza, Javier; Fernández, Rosario; López-Serrano, Joaquín; Ros, Abel; Lassaletta, José M","Ir-Catalyzed Atroposelective Desymmetrization of Heterobiaryls: Hydroarylation of Vinyl Ethers and Bicycloalkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12858","","","1.54178","CuKα","","0.0328","0.0323","","","0.1126","0.1131","","","","","","0.934","","","","has coordinates","247134","2020-10-21","18:00:00",""
"4133999","9.6828","0.0004","11.6682","0.0005","16.747","0.0007","90","","90","","90","","1892.09","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","","Romero-Arenas, Antonio; Hornillos, Valentín; Iglesias-Sigüenza, Javier; Fernández, Rosario; López-Serrano, Joaquín; Ros, Abel; Lassaletta, José M","Ir-Catalyzed Atroposelective Desymmetrization of Heterobiaryls: Hydroarylation of Vinyl Ethers and Bicycloalkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12858","","","1.54178","CuKα","","0.0394","0.0379","","","0.1099","0.1124","","","","","","0.855","","","","has coordinates","247135","2020-10-21","18:00:00",""
"4134000","9.4573","0.0002","9.4573","0.0002","66.22","0.002","90","","90","","120","","5129.3","0.2","273","2","273","2","","","","","","","","4","P 65","P 65","170","","","","- C23 H19 N O -","- C23 H19 N O -","- C276 H228 N12 O12 -","12","2","","Romero-Arenas, Antonio; Hornillos, Valentín; Iglesias-Sigüenza, Javier; Fernández, Rosario; López-Serrano, Joaquín; Ros, Abel; Lassaletta, José M","Ir-Catalyzed Atroposelective Desymmetrization of Heterobiaryls: Hydroarylation of Vinyl Ethers and Bicycloalkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12858","","","1.54178","CuKα","","0.0344","0.0335","","","0.1044","0.1048","","","","","","0.983","","","","has coordinates,has disorder","247137","2020-10-21","18:00:00",""
"4134001","14.8465","0.0007","5.1669","0.0003","12.7295","0.0006","90","","94.446","0.003","90","","973.55","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C48 H64 O8 -","4","1","","Hsu, Tze-Gang; Zhou, Junfeng; Su, Hsin-Wei; Schrage, Briana R.; Ziegler, Christopher J.; Wang, Junpeng","A Polymer with ""Locked"" Degradability: Superior Backbone Stability and Accessible Degradability Enabled by Mechanophore Installation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12482","","","0.71073","MoKα","","0.0554","0.0427","","","0.0977","0.1038","","","","","","1.06","","","","has coordinates","247138","2020-10-21","18:00:00",""
"4134002","5.8422","0.0001","9.8585","0.0002","31.3192","0.0006","90","","90","","90","","1803.84","0.06","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Br N O -","- C20 H24 Br N O -","- C80 H96 Br4 N4 O4 -","4","1","","Green, Jacob C.; Zanghi, Joseph M.; Meek, Simon J.","Diastereo- and Enantioselective Synthesis of Homoallylic Amines Bearing Quaternary Carbon Centers.","Journal of the American Chemical Society","2020","142","4","1704","1709","10.1021/jacs.9b11529","","","1.54178","CuKα","","0.0209","0.0201","","0.047","0.0467","0.047","","","","","","1.0015","","","","has coordinates","247526","2020-10-21","18:00:00",""
"4134003","8.0743","0.0002","13.3745","0.0004","18.9008","0.0006","72.286","0.001","88.944","0.001","84.437","0.001","1935.03","0.1","100","2","100.11","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 F8 N2 O4 S2 -","- C15 H12 F8 N2 O4 S2 -","- C60 H48 F32 N8 O16 S8 -","4","2","","Mandal, Dipendu; Gupta, Richa; Jaiswal, Amit K.; Young, Rowan D.","Frustrated Lewis pair meditated selective single fluoride substitution in trifluoromethyl groups.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12167","","","0.71073","MoKα","","0.0542","0.0387","","","0.0918","0.1023","","","","","","1.036","","","","has coordinates","247140","2020-10-21","18:00:00",""
"4134004","13.4071","0.0005","16.7792","0.0006","13.6377","0.0005","90","","95.202","0.002","90","","3055.31","0.19","100","2","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 F8 N2 O4 S2 -","- C32 H22 F8 N2 O4 S2 -","- C128 H88 F32 N8 O16 S8 -","4","1","","Mandal, Dipendu; Gupta, Richa; Jaiswal, Amit K.; Young, Rowan D.","Frustrated Lewis pair meditated selective single fluoride substitution in trifluoromethyl groups.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12167","","x-ray","0.71073","MoKα","","0.0585","0.0371","","","0.0801","0.0927","","","","","","1.043","","","","has coordinates","247141","2020-10-21","18:00:00",""
"4134005","11.6718","0.0005","13.9968","0.0007","17.3742","0.0009","90","","94.633","0.002","90","","2829.1","0.2","100","2","100.01","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C54 H45 F16 N2 O8 P2 S4 -","- C54 H45 F16 N2 O8 P2 S4 -","- C108 H90 F32 N4 O16 P4 S8 -","2","1","","Mandal, Dipendu; Gupta, Richa; Jaiswal, Amit K.; Young, Rowan D.","Frustrated Lewis pair meditated selective single fluoride substitution in trifluoromethyl groups.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12167","","x-ray","0.71073","MoKα","","0.0643","0.0549","","","0.1436","0.1515","","","","","","1.045","","","","has coordinates,has disorder","247142","2020-10-21","18:00:00",""
"4134006","11.5732","0.0004","16.6147","0.0006","16.7556","0.0006","90","","96.946","0.001","90","","3198.2","0.2","100","2","99.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 F8 N O4 P S2 -","- C31 H28 F8 N O4 P S2 -","- C124 H112 F32 N4 O16 P4 S8 -","4","1","","Mandal, Dipendu; Gupta, Richa; Jaiswal, Amit K.; Young, Rowan D.","Frustrated Lewis pair meditated selective single fluoride substitution in trifluoromethyl groups.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12167","","","0.71073","MoKα","","0.0598","0.0393","","","0.0864","0.1013","","","","","","1.071","","","","has coordinates,has disorder","247143","2020-10-21","18:00:00",""
"4134007","11.89","0.0005","16.2559","0.0007","20.0266","0.0008","90","","92.643","0.002","90","","3866.7","0.3","100","2","99.97","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Cl2 F8 N2 O4 S2 -","- C40 H30 Cl2 F8 N2 O4 S2 -","- C160 H120 Cl8 F32 N8 O16 S8 -","4","1","","Mandal, Dipendu; Gupta, Richa; Jaiswal, Amit K.; Young, Rowan D.","Frustrated Lewis pair meditated selective single fluoride substitution in trifluoromethyl groups.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12167","","","0.71073","MoKα","","0.1255","0.0549","","","0.1226","0.1741","","","","","","1.096","","","","has coordinates,has disorder","247144","2020-10-21","18:00:00",""
"4134008","11.7287","0.0006","11.3446","0.0006","12.7178","0.0007","90","","97.519","0.003","90","","1677.65","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0738","0.0454","","","0.0973","0.109","","","","","","1.015","","","","has coordinates","247527","2020-10-21","18:00:00",""
"4134009","12.5418","0.0007","14.2968","0.0008","10.9243","0.0006","90","","98.314","0.004","90","","1938.22","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 F3 N2 O2 -","- C24 H19 F3 N2 O2 -","- C96 H76 F12 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0694","0.0427","","","0.0926","0.1041","","","","","","1.024","","","","has coordinates","247527","2020-10-21","18:00:00",""
"4134010","10.1059","0.0002","14.1498","0.0003","14.8124","0.0003","64.5952","0.0011","86.5106","0.0011","71.9003","0.0012","1812.14","0.07","200","2","200.01","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","2","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0655","0.0414","","","0.101","0.1132","","","","","","1.018","","","","has coordinates","247527","2020-10-21","18:00:00",""
"4134011","6.2016","0.0003","22.6245","0.0017","13.4647","0.0007","90","","98.531","0.003","90","","1868.3","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.104","0.0625","","","0.1475","0.1665","","","","","","1.053","","","","has coordinates","247527","2020-10-21","18:00:00",""
"4134012","7.422","0.0003","27.9118","0.0009","10.1865","0.0003","90","","110.241","0.002","90","","1979.93","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Cl3 N2 O2 -","- C20 H19 Cl3 N2 O2 -","- C80 H76 Cl12 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0563","0.0397","","","0.0856","0.0929","","","","","","1.033","","","","has coordinates,has disorder","247527","2020-10-21","18:00:00",""
"4134013","5.9996","0.0001","11.7006","0.0002","25.9222","0.0005","90","","95.015","0.002","90","","1812.74","0.06","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C92 H88 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0731","0.0465","","","0.1036","0.1172","","","","","","1.01","","","","has coordinates,has disorder","247527","2020-10-21","18:00:00",""
"4134014","10.2646","0.0004","10.6815","0.0004","18.9544","0.0006","90","","101.145","0.002","90","","2038.99","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0665","0.0466","","","0.0998","0.1104","","","","","","1.014","","","","has coordinates","247527","2020-10-21","18:00:00",""
"4134015","17.5563","0.0012","19.7585","0.0014","20.6328","0.0014","90","","111.704","0.002","90","","6649.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Mesdmx)Cu2(NCMe)2","","- C79 H83 Cu2 N7 O2 -","- C79 H83 Cu2 N7 O2 -","- C316 H332 Cu8 N28 O8 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0723","0.0467","","","0.0993","0.1105","","","","","","1.075","","","","has coordinates","247152","2020-10-21","18:00:00",""
"4134016","12.304","0.003","16.241","0.004","18.007","0.005","92.531","0.004","92.075","0.005","92.793","0.005","3587.9","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(Mesdmx)Cu2(NC6H4OMe)","","- C84 H91 Cu2 N5 O4 -","- C84 H91 Cu2 N5 O4 -","- C168 H182 Cu4 N10 O8 -","2","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.1282","0.0679","","","0.1607","0.1948","","","","","","1.001","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134017","23.7718","0.0017","21.0479","0.0014","17.5589","0.0012","90","","113.565","0.001","90","","8052.9","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Mesdmx)Cu2(3,5-CF3C6H3)","","- C77 H67 Cu2 F6 N5 O -","- C77 H67 Cu2 F6 N5 O -","- C308 H268 Cu8 F24 N20 O4 -","4","0.5","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.41328","synchrotron","","0.0536","0.0393","","","0.0971","0.1034","","","","","","1.05","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134018","21.9597","0.0005","22.7867","0.0005","21.3984","0.0005","90","","92.534","0.002","90","","10697.1","0.4","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","(tBudmx)Cu2(NC6H4OMe)","","- C59.75 H70.62 Cu2 N5.88 O2.5 -","- C59.75 H70.625 Cu2 N5.875 O2.5 -","- C478 H565 Cu16 N47 O20 -","8","2","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.1462","0.0988","","","0.2228","0.256","","","","","","1.147","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134019","18.958","0.002","13.0693","0.0016","43.638","0.005","90","","90","","90","","10812","2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(tBudmx)Cu2(3,5-CF2C6H3)","","- C59 H62 Cu2 F6 N6 O -","- C59 H62 Cu2 F6 N6 O -","- C472 H496 Cu16 F48 N48 O8 -","8","2","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0865","0.0538","","","0.1135","0.1329","","","","","","1.038","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134020","17.7584","0.0002","26.265","0.0003","24.6763","0.0003","90","","105.261","0.0012","90","","11103.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[K(222C)][(Mesdmx)Cu2(NC6H4OMe)]","","- C94 H107 Cu2 K N7 O8 -","- C94 H107 Cu2 K N7 O8 -","- C376 H428 Cu8 K4 N28 O32 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","1.54184","CuKα","","0.0802","0.0639","","","0.1715","0.1836","","","","","","1.02","","","","has coordinates","247152","2020-10-21","18:00:00",""
"4134021","17.164","0.003","18.401","0.003","27.309","0.004","90","","104.668","0.004","90","","8344","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[K(222C)][(tBudmx)Cu2(NC6H4OMe)]","","- C81 H116.5 Cu2 K N7 O9.75 -","- C81 H116.5 Cu2 K N7 O9.75 -","- C324 H466 Cu8 K4 N28 O39 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0504","0.037","","","0.0969","0.1035","","","","","","1.043","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134022","13.347","0.002","41.261","0.006","13.763","0.002","90","","97.39","0.003","90","","7516.5","1.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[K(222C)][(tBudmx)Cu2N(3,5-CF3C6H3)]","","- C75 H95 Cu2 F6 K N7 O7 -","- C75 H95 Cu2 F6 K N7 O7 -","- C300 H380 Cu8 F24 K4 N28 O28 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0561","0.0402","","","0.0866","0.0932","","","","","","1.012","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134023","36.448","0.004","11.0154","0.0011","13.4471","0.0012","90","","105.928","0.003","90","","5191.6","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","LCuNCMe","","- C26 H29.5 Cl2 Cu N3.5 -","- C26 H29.5 Cl2 Cu N3.5 -","- C208 H236 Cl16 Cu8 N28 -","8","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.1199","0.0691","","","0.1072","0.1194","","","","","","1.117","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134024","13.1817","0.0013","10.7516","0.0019","19.191","0.003","90","","95.4","0.008","90","","2707.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","LCuCl_dimer","","- C29 H31 Cl3 Cu N2 -","- C29 H31 Cl3 Cu N2 -","- C116 H124 Cl12 Cu4 N8 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0769","0.0528","","","0.1184","0.131","","","","","","1.034","","","","has coordinates","247152","2020-10-21","18:00:00",""
"4134025","11.0169","0.0006","15.6053","0.0007","21.432","0.0011","80.283","0.004","89.945","0.004","74.102","0.004","3488.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Mesdmx)Cu2(PMe3)2","","- C79 H90 Cu2 N4 O2 P2 -","- C79 H90 Cu2 N4 O2 P2 -","- C158 H180 Cu4 N8 O4 P4 -","2","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.1198","0.0554","","","0.0914","0.1085","","","","","","1.007","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134026","57.196","0.011","25.306","0.004","26.078","0.003","90","","117.092","0.007","90","","33604","9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(tBudmx)Cu2(PPh3)2","","- C96.88 H99.25 Cu2 N4 O P2 -","- C96.875 H99.25 Cu2 N4 O P2 -","- C1550 H1588 Cu32 N64 O16 P32 -","16","2","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.1338","0.0744","","","0.1635","0.1931","","","","","","1.052","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134027","12.031","0.005","14.049","0.006","24.368","0.011","99.925","0.007","99.557","0.008","105.278","0.007","3816","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(Mesdmx)Cu2(CNtBu)","","- C85 H93.5 Cu2 N6 O2.5 -","- C85 H93.5 Cu2 N6 O2.5 -","- C170 H187 Cu4 N12 O5 -","2","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0927","0.0621","","","0.1718","0.1921","","","","","","1.021","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134028","16.3247","0.0007","18.2917","0.0008","20.5023","0.0009","90","","106.3","0.001","90","","5876","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(tBudmx)Cu2(CNtBu)2","","- C63 H82 Cu2 N6 O2 -","- C63 H82 Cu2 N6 O2 -","- C252 H328 Cu8 N24 O8 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0628","0.0342","","","0.0658","0.0716","","","","","","0.911","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134029","13.3375","0.0005","25.1228","0.0007","25.4322","0.0007","90","","100.624","0.003","90","","8375.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Mesdmx)Cu2(dmap)","","- C95 H110.5 Cu2 N8 O4 -","- C95 H110.5 Cu2 N8 O4 -","- C380 H442 Cu8 N32 O16 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.1323","0.0734","","","0.1786","0.2128","","","","","","1.03","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134030","11.189","0.009","17.657","0.012","22.207","0.015","90","","95.88","0.02","90","","4364","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","LCu_dimer","","- C46 H50 Cl4 Cu2 N4 -","- C46 H50 Cl4 Cu2 N4 -","- C184 H200 Cl16 Cu8 N16 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0522","0.0354","","","0.0828","0.0921","","","","","","1.027","","","","has coordinates","247152","2020-10-21","18:00:00",""
"4134031","7.8897","0.0001","9.1212","0.0001","14.9717","0.0002","96.048","0.001","101.313","0.001","106.5","0.001","998","0.02","298","2","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 F N2 O -","- C26 H23 F N2 O -","- C52 H46 F2 N4 O2 -","2","1","","Oderinde, Martins S.; Mao, Edna; Ramirez, Antonio; Pawluczyk, Joseph; Jorge, Christine; Cornelius, Lyndon A. M.; Kempson, James; Vetrichelvan, Muthalagu; Pitchai, Manivel; Gupta, Anuradha; Gupta, Arun Kumar; Meanwell, Nicholas A.; Mathur, Arvind; Dhar, T. G. Murali","Synthesis of Cyclobutane-Fused Tetracyclic Scaffolds via Visible-Light Photocatalysis for Building Molecular Complexity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12129","","x-ray","1.54178","CuKα","","0.0393","0.036","","","0.0941","0.0973","","","","","","1.046","","","","has coordinates","247153","2020-10-21","18:00:00",""
"4134032","15.0482","0.0006","17.691","0.0007","20.2396","0.0008","72.719","0.002","68.916","0.002","65.729","0.002","4512","0.3","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H91 Dy3 N12 O59 P14 -","- C50 H71 Dy3 N12 O59 P14 -","- C100 H142 Dy6 N24 O118 P28 -","2","1","","Ma, Yu-Juan; Hu, Ji-Xiang; Han, Song-De; Pan, Jie; Li, Jin-Hua; Wang, Guo-Ming","Manipulating On/Off Single-Molecule Magnet Behavior in a Dy(III)-Based Photochromic Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13461","","","0.71073","MoKα","","0.1277","0.0671","","","0.1242","0.142","","","","","","0.977","","","","has coordinates","247154","2020-10-21","18:00:00",""
"4134033","15.0427","0.0003","17.6771","0.0004","20.2137","0.0005","72.46","0.002","68.689","0.002","65.73","0.001","4491.25","0.19","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H91 Dy3 N12 O59 P14 -","- C50 H71 Dy3 N12 O59 P14 -","- C100 H142 Dy6 N24 O118 P28 -","2","1","","Ma, Yu-Juan; Hu, Ji-Xiang; Han, Song-De; Pan, Jie; Li, Jin-Hua; Wang, Guo-Ming","Manipulating On/Off Single-Molecule Magnet Behavior in a Dy(III)-Based Photochromic Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13461","","","0.71073","MoKα","","0.0998","0.059","","","0.1376","0.165","","","","","","1.03","","","","has coordinates","247154","2020-10-21","18:00:00",""
"4134034","15.0885","0.0011","17.6798","0.0011","20.2814","0.0012","73.138","0.005","69.411","0.006","65.445","0.007","4540.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H91 Gd3 N12 O59 P14 -","- C50 H71 Gd3 N12 O59 P14 -","- C100 H142 Gd6 N24 O118 P28 -","2","1","","Ma, Yu-Juan; Hu, Ji-Xiang; Han, Song-De; Pan, Jie; Li, Jin-Hua; Wang, Guo-Ming","Manipulating On/Off Single-Molecule Magnet Behavior in a Dy(III)-Based Photochromic Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13461","","","0.71073","MoKα","","0.0724","0.0456","","","0.1177","0.1279","","","","","","1.021","","","","has coordinates","247154","2020-10-21","18:00:00",""
"4134035","14.9876","0.0011","17.6742","0.0012","20.2589","0.0014","73.084","0.006","69.492","0.007","65.735","0.007","4513.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H91 N12 O59 P14 Y3 -","- C50 H71 N12 O59 P14 Y3 -","- C100 H142 N24 O118 P28 Y6 -","2","1","","Ma, Yu-Juan; Hu, Ji-Xiang; Han, Song-De; Pan, Jie; Li, Jin-Hua; Wang, Guo-Ming","Manipulating On/Off Single-Molecule Magnet Behavior in a Dy(III)-Based Photochromic Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13461","","","0.71073","MoKα","","0.1609","0.0735","","","0.1373","0.1631","","","","","","0.997","","","","has coordinates","247154","2020-10-21","18:00:00",""
"4134036","22.7019","0.0015","23.2501","0.0016","13.5359","0.0008","90","","118.419","0.005","90","","6283.6","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H70 N12 O35 P8 -","- C44 H56 N12 O35 P8 -","- C176 H224 N48 O140 P32 -","4","0.5","","Ma, Yu-Juan; Hu, Ji-Xiang; Han, Song-De; Pan, Jie; Li, Jin-Hua; Wang, Guo-Ming","Manipulating On/Off Single-Molecule Magnet Behavior in a Dy(III)-Based Photochromic Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13461","","","0.71073","MoKα","","0.0816","0.0555","","","0.1524","0.1662","","","","","","1.019","","","","has coordinates","247154","2020-10-21","18:00:00",""
"4134037","16.4338","0.0003","15.0133","0.0003","37.4909","0.0007","90","","96.4048","0.0017","90","","9192.2","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C99 H121 F3 N6 O12 -","- C99 H121 F3 N6 O12 -","- C396 H484 F12 N24 O48 -","4","1","","Morimoto, Jumpei; Kim, Jungyeon; Kuroda, Daisuke; Nagatoishi, Satoru; Tsumoto, Kouhei; Sando, Shinsuke","Per-Residue Program of Multiple Backbone Dihedral Angles of β-Peptoids via Backbone Substitutions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b10496","","","0.71073","MoKα","","0.0798","0.0604","","","0.1635","0.1765","","","","","","1.021","","","","has coordinates,has disorder","247155","2020-10-21","18:00:00",""
"4134038","10.623","0.004","5.831","0.002","21.553","0.008","90","","98.576","0.012","90","","1320.1","0.8","102","2","102","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 F3 N O2 -","- C13 H16 F3 N O2 -","- C52 H64 F12 N4 O8 -","4","1","","Schwarz, Jonas Luca; Kleinmans, Roman; Paulisch, Tiffany; Glorius, Frank","1,2-Amino Alcohols via Cr/Photoredox Dual Catalyzed Addition of α-Amino Carbanion Equivalents to Carbonyls.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12053","","","0.71073","MoKα","","0.1328","0.0886","","","0.2117","0.2364","","","","","","1.083","","","","has coordinates,has disorder","247225","2020-10-21","18:00:00",""
"4134039","18.5691","0.0013","19.7813","0.0014","34.092","0.002","87.692","0.004","85.637","0.004","68.07","0.004","11582","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C105.25 H152 Cl0.5 N7 O10.25 P2 -","- C105.25 H152 Cl0.5 N7 O10.25 P2 -","- C421 H608 Cl2 N28 O41 P8 -","4","2","","Zhao, Wei; Tropp, Joshua; Qiao, Bo; Pink, Maren; Azoulay, Jason D.; Flood, Amar H.","Tunable Adhesion from Stoichiometry-controlled and Sequence-defined Supramolecular Polymers Emerges Hierarchically from Cyanostar-stabilized Anion-anion Linkages.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12645","","","0.71073","MoKα","","0.2372","0.1466","","","0.3744","0.4053","","","","","","2.074","","","","has coordinates,has disorder","247226","2020-10-21","18:00:00",""
"4134040","6.3624","0.0003","10.6132","0.0004","25.6176","0.0011","90","","90","","90","","1729.84","0.13","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 F3 N O -","- C18 H26 F3 N O -","- C72 H104 F12 N4 O4 -","4","1","","Yao, Chengbo; Wang, Shuai; Norton, Jack R.; Hammond, Matthew","Catalyzing the Hydrodefluorination of CF3-substituted Alkenes by PhSiH3. H• Transfer from a Nickel Hydride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13757","","","0.71073","MoKα","","0.0541","0.0414","","","0.0981","0.1069","","","","","","1.029","","","","has coordinates","247227","2020-10-21","18:00:00",""
"4134041","9.6023","0.0004","9.8505","0.0004","21.0495","0.0008","87.9879","0.0015","82.7837","0.0015","88.3199","0.0014","1973.41","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H54 Mo O2 Sn -","- C43 H54 Mo O2 Sn -","- C86 H108 Mo2 O4 Sn2 -","2","1","","Queen, Joshua D.; Phung, Alice C.; Caputo, Christine A.; Fettinger, James C.; Power, Philip P.","Metathetical Exchange between Metal-Metal Triple Bonds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13604","","","1.54178","CuKα","","0.0568","0.0542","","","0.1236","0.1256","","","","","","1.066","","","","has coordinates,has disorder","247244","2020-10-21","18:00:00",""
"4134042","11.3692","0.0009","16.3298","0.0012","18.411","0.0014","90","","102.462","0.001","90","","3337.6","0.4","90","2","90.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H42 Ge Mo O2 -","- C37 H42 Ge Mo O2 -","- C148 H168 Ge4 Mo4 O8 -","4","1","","Queen, Joshua D.; Phung, Alice C.; Caputo, Christine A.; Fettinger, James C.; Power, Philip P.","Metathetical Exchange between Metal-Metal Triple Bonds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13604","","","0.71073","MoKα","","0.0314","0.0243","","","0.0576","0.0604","","","","","","1.024","","","","has coordinates","247245","2020-10-21","18:00:00",""
"4134043","13.3557","0.0004","10.6317","0.0003","28.1313","0.0008","90","","94.2515","0.0011","90","","3983.5","0.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H54 Mo O2 Pb -","- C43 H54 Mo O2 Pb -","- C172 H216 Mo4 O8 Pb4 -","4","1","","Queen, Joshua D.; Phung, Alice C.; Caputo, Christine A.; Fettinger, James C.; Power, Philip P.","Metathetical Exchange between Metal-Metal Triple Bonds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13604","","","0.71073","MoKα","","0.0378","0.0269","","","0.0512","0.0549","","","","","","1.033","","","","has coordinates,has disorder","247246","2020-10-21","18:00:00",""
"4134044","8.5886","0.0007","17.4666","0.0014","22.6926","0.0019","90","","97.277","0.001","90","","3376.8","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Mo O3 Sn -","- C38 H42 Mo O3 Sn -","- C152 H168 Mo4 O12 Sn4 -","4","1","","Queen, Joshua D.; Phung, Alice C.; Caputo, Christine A.; Fettinger, James C.; Power, Philip P.","Metathetical Exchange between Metal-Metal Triple Bonds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13604","","","0.71073","MoKα","","0.0312","0.0221","","","0.0443","0.0473","","","","","","1.027","","","","has coordinates","247247","2020-10-21","18:00:00",""
"4134045","10.2665","0.0004","15.0186","0.0005","15.1586","0.0006","106.802","0.002","98.455","0.002","94.384","0.002","2195.65","0.15","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H48 F12 N6 O5 P2 Ru -","- C36 H48 F12 N6 O5 P2 Ru -","- C72 H96 F24 N12 O10 P4 Ru2 -","2","1","","Sampaio, Renato N.; Grills, David C.; Polyansky, Dmitry E.; Szalda, David J.; Fujita, Etsuko","Unexpected Roles of Triethanolamine in the Photochemical Reduction of CO2 to Formate by Ruthenium Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11897","","","0.71073","MoKα","","0.1058","0.0498","","","0.1105","0.1253","","","","","","0.998","","","","has coordinates","247264","2020-10-21","18:00:00",""
"4134046","10.1169","0.0007","10.8235","0.0007","19.72","0.0013","96.808","0.004","98.601","0.004","101.702","0.003","2065.8","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H39 F12 N5 O3 P2 Ru -","- C33 H37.2 F12 N5 O3 P2 Ru -","- C66 H74.4 F24 N10 O6 P4 Ru2 -","2","1","","Sampaio, Renato N.; Grills, David C.; Polyansky, Dmitry E.; Szalda, David J.; Fujita, Etsuko","Unexpected Roles of Triethanolamine in the Photochemical Reduction of CO2 to Formate by Ruthenium Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11897","","","0.71073","MoKα","","0.099","0.055","","","0.1283","0.1439","","","","","","0.981","","","","has coordinates,has disorder","247265","2020-10-21","18:00:00",""
"4134047","10.7525","0.0003","13.2311","0.0004","15.5424","0.0004","105.225","0.001","105.903","0.001","108.352","0.001","1865.15","0.09","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C43 H48 O8 -","- C43 H48 O8 -","- C86 H96 O16 -","2","1","","Zhou, Jiong; Yu, Guocan; Li, Qing; Wang, Mengbin; Huang, Feihe","Separation of Benzene and Cyclohexane by Nonporous Adaptive Crystals of Hybrid[3]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13548","","","0.71073","MoKα","","0.0503","0.0426","","","0.1118","0.1186","","","","","","1.013","","","","has coordinates","247266","2020-10-21","18:00:00",""
"4134048","16.871","0.003","16.871","0.003","14.955","0.002","90","","90","","120","","3686.4","1","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Co2.06 N6 O13 Ti0.94 -","- C42 H24 Co2.07 N6 O13 Ti0.93 -","- C84 H48 Co4.14 N12 O26 Ti1.86 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0427","0.0338","","","0.1439","0.1493","","","","","","1.17","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00",""
"4134049","16.89","0.02","16.89","0.02","14.94","0.02","90","","90","","120","","3691","8","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Co2 N6 O13 V -","- C42 H24 Co2.0001 N6 O13 V0.9999 -","- C84 H48 Co4.0002 N12 O26 V1.9998 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0634","0.0443","","","0.1094","0.114","","","","","","1.042","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00",""
"4134050","17.234","0.004","17.234","0.004","14.537","0.003","90","","90","","120","","3739.2","1.4","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C45 H27 Mg2.25 N3 O13 Ti0.75 -","- C45 H27 Mg2.244 N3 O13 Ti0.756 -","- C90 H54 Mg4.488 N6 O26 Ti1.512 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0571","0.0405","","","0.1509","0.1602","","","","","","1.062","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00",""
"4134051","17.2","0.03","17.2","0.03","14.75","0.03","90","","90","","120","","3779","12","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C44 H26 Mg2.16 N4 O13 Ti0.84 -","- C44.0001 H26.0001 Mg2.178 N3.9999 O13 Ti0.822 -","- C88.0002 H52.0002 Mg4.356 N7.9998 O26 Ti1.644 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0542","0.0397","","","0.1173","0.1267","","","","","","1.083","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00",""
"4134052","17.014","0.012","17.014","0.012","14.838","0.01","90","","90","","120","","3720","4","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Mg2.22 N6 O13 Ti0.78 -","- C42 H24 Mg2.196 N6 O13 Ti0.804 -","- C84 H48 Mg4.392 N12 O26 Ti1.608 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0425","0.0338","","","0.1301","0.1354","","","","","","0.997","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00",""
"4134053","16.985","0.015","16.985","0.015","14.669","0.013","90","","90","","120","","3665","6","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Mg2 N6 O13 V -","- C42 H24 Mg2.001 N6 O13 V0.999 -","- C84 H48 Mg4.002 N12 O26 V1.998 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.05","0.0381","","","0.1284","0.1321","","","","","","1.164","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00",""
"4134054","16.79","0.04","16.79","0.04","14.84","0.04","90","","90","","120","","3623","16","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C48 H30 Mg1.92 N6 O13 V1.08 -","- C48 H30 Mg1.893 N6 O13 V1.107 -","- C96 H60 Mg3.786 N12 O26 V2.214 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0991","0.0675","","","0.1759","0.1904","","","","","","1.187","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00",""
"4134055","10.8613","0.0018","13.099","0.002","21.74","0.004","90","","99.381","0.003","90","","3051.6","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((5'-(tert-butyl)-4,4""-dimethoxy-[1,1':3',1""-terphenyl]-4'-yl)amino)naphthalene-1,4-dione","","- C35 H32 Cl3 N O4 -","- C35 H32 Cl3 N O4 -","- C140 H128 Cl12 N4 O16 -","4","1","","Vaidya, Sagar Dilip; Toenjes, Sean T.; Yamamoto, Nobuyuki; Maddox, Sean M.; Gustafson, Jeffrey L.","Catalytic Atroposelective Synthesis of N-Aryl Quinoid Compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12994","","","0.71073","MoKα","","0.0306","0.0291","","","0.0784","0.0798","","","","","","1.024","","","","has coordinates","247289","2020-10-21","18:00:00",""
"4134056","8.9865","0.0004","13.2091","0.0006","11.2053","0.0005","90","","103.279","0.0019","90","","1294.55","0.1","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H24 Br F2 N O2 -","- C32 H24 Br F2 N O2 -","- C64 H48 Br2 F4 N2 O4 -","2","1","","Vaidya, Sagar Dilip; Toenjes, Sean T.; Yamamoto, Nobuyuki; Maddox, Sean M.; Gustafson, Jeffrey L.","Catalytic Atroposelective Synthesis of N-Aryl Quinoid Compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12994","","","0.71073","MoKα","","0.0173","0.0168","","","0.0465","0.0467","","","","","","1.061","","","","has coordinates","247290","2020-10-21","18:00:00",""
"4134057","7.41462","0.00009","10.40955","0.00011","20.8084","0.0002","90","","90","","90","","1606.05","0.03","140","0.1","140","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N3 O -","- C20 H17 N3 O -","- C80 H68 N12 O4 -","4","1","","Nguyen, Qui-Hien; Guo, Shu-Min; Royal, Titouan; Baudoin, Olivier; Cramer, Nicolai","Intermolecular Palladium(0)-Catalyzed Atropo-enantioselective C-H Arylation of Heteroarenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12299","","x-ray","1.54184","CuKα","","0.0272","0.0272","","","0.0781","0.0782","","","","","","1.094","","","","has coordinates","247291","2020-10-21","18:00:00",""
"4134058","7.90611","0.00007","11.94278","0.0001","20.962","0.0002","90","","90","","90","","1979.25","0.03","139.99","0.1","139.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O -","- C26 H21 N3 O -","- C104 H84 N12 O4 -","4","1","","Nguyen, Qui-Hien; Guo, Shu-Min; Royal, Titouan; Baudoin, Olivier; Cramer, Nicolai","Intermolecular Palladium(0)-Catalyzed Atropo-enantioselective C-H Arylation of Heteroarenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12299","","x-ray","1.54184","CuKα","","0.0294","0.029","","","0.0751","0.0756","","","","","","1.065","","","","has coordinates","247292","2020-10-21","18:00:00",""
"4134059","9.6294","0.00004","16.20428","0.00008","16.44875","0.00009","90","","90","","90","","2566.62","0.02","140","0.1","140","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 N6 O2 -","- C30 H26 N6 O2 -","- C120 H104 N24 O8 -","4","1","","Nguyen, Qui-Hien; Guo, Shu-Min; Royal, Titouan; Baudoin, Olivier; Cramer, Nicolai","Intermolecular Palladium(0)-Catalyzed Atropo-enantioselective C-H Arylation of Heteroarenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12299","","x-ray","1.54184","CuKα","","0.0247","0.0245","","","0.0658","0.0659","","","","","","1.038","","","","has coordinates","247293","2020-10-21","18:00:00",""
"4134060","19.081","0.0003","8.25102","0.00013","19.9954","0.0003","90","","98.3391","0.0015","90","","3114.75","0.08","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N3 O -","- C17 H19 N3 O -","- C136 H152 N24 O8 -","8","4","","Nguyen, Qui-Hien; Guo, Shu-Min; Royal, Titouan; Baudoin, Olivier; Cramer, Nicolai","Intermolecular Palladium(0)-Catalyzed Atropo-enantioselective C-H Arylation of Heteroarenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12299","","x-ray","1.54184","CuKα","","0.0405","0.0362","","","0.0961","0.0998","","","","","","1.016","","","","has coordinates,has disorder","247294","2020-10-21","18:00:00",""
"4134061","11.1841","0.0005","11.6216","0.0006","11.9725","0.0004","115.042","0.004","97.311","0.004","99.56","0.004","1355.87","0.12","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H88 N5 O2 Si8 U2 -","- C32 H88 N5 O2 Si8 U2 -","- C32 H88 N5 O2 Si8 U2 -","1","0.5","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","1.54184","CuKα","","0.0417","0.0351","","","0.0797","0.0828","","","","","","1.045","","","","has coordinates,has disorder","247295","2020-10-21","18:00:00",""
"4134062","12.4354","0.0002","14.5903","0.0003","21.2165","0.0005","84.8203","0.0018","81.3108","0.0017","68.8597","0.0018","3546.49","0.13","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C56 H108 B N5 O2 Si8 U2 -","- C56 H108 B N5 O2 Si8 U2 -","- C112 H216 B2 N10 O4 Si16 U4 -","2","1","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","0.71073","MoKα","","0.0493","0.0314","","","0.0499","0.0545","","","","","","1.024","","","","has coordinates","247296","2020-10-21","18:00:00",""
"4134063","12.0237","0.0003","26.7386","0.0006","16.445","0.0004","90","","108.891","0.003","90","","5002.2","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H79 N5 O Si8 U2 -","- C28 H79 N5 O Si8 U2 -","- C112 H316 N20 O4 Si32 U8 -","4","1","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","0.71073","MoKα","","0.0908","0.0901","","","0.2343","0.235","","","","","","1.131","","","","has coordinates","247297","2020-10-21","18:00:00",""
"4134064","10.4218","0.0016","12.6637","0.0019","21.703","0.003","84.395","0.013","76.525","0.013","77.75","0.013","2718.6","0.7","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H90 N5 O2 Si8 U2 -","- C32 H90 N5 O2 Si8 U2 -","- C64 H180 N10 O4 Si16 U4 -","2","1","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","1.54184","CuKα","","0.1816","0.0824","","","0.1817","0.2128","","","","","","0.804","","","","has coordinates","247298","2020-10-21","18:00:00",""
"4134065","12.3775","0.0004","15.2039","0.0004","32.5115","0.001","92.605","0.002","92.492","0.003","109.741","0.003","5741.4","0.3","140.2","0.6","140.2","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C72 H171 N10 O2 Si16 U4 -","- C72 H171 N10 O2 Si16 U4 -","- C144 H342 N20 O4 Si32 U8 -","2","1","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","1.54184","CuKα","","0.1106","0.0667","","","0.1478","0.1739","","","","","","1.009","","","","has coordinates","247299","2020-10-21","18:00:00",""
"4134066","18.1022","0.0005","13.8129","0.0005","26.1373","0.0007","90","","103.954","0.003","90","","6342.6","0.3","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H78 N4 O Si6 U2 -","- C46 H78 N4 O Si6 U2 -","- C184 H312 N16 O4 Si24 U8 -","4","1","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","0.71073","MoKα","","0.1143","0.0429","","","0.077","0.086","","","","","","0.82","","","","has coordinates","247300","2020-10-21","18:00:00",""
"4134067","20.4459","0.0004","20.6717","0.0004","20.7789","0.0004","85.1695","0.0017","76.7807","0.0018","68.9745","0.0019","7980.3","0.3","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C87 H242 N15 O2 Si24 U6 -","- C87 H242 N15 O2 Si24 U6 -","- C174 H484 N30 O4 Si48 U12 -","2","1","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","1.54184","CuKα","","0.0479","0.0383","","","0.0913","0.0967","","","","","","1.017","","","","has coordinates,has disorder","247301","2020-10-21","18:00:00",""
"4134068","10.9866","0.0005","12.0174","0.0005","12.0565","0.0007","119.636","0.006","90.69","0.004","102.546","0.004","1337.1","0.15","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H88 N5 O2 Si8 U2 -","- C32 H88.156 N5.078 O2 Si8 U2 -","- C32 H88.156 N5.078 O2 Si8 U2 -","1","0.5","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","1.54184","CuKα","","0.0543","0.0522","","","0.1383","0.1411","","","","","","1.031","","","","has coordinates,has disorder","247302","2020-10-21","18:00:00",""
"4134069","16.3376","0.0007","16.4904","0.0008","25.6818","0.001","71.615","0.004","78.674","0.004","60.468","0.005","5705.8","0.5","100","0.11","100","0.11","","","","","","","","3","P -1","-P 1","2","","","","- C90 H135 Au23 -","- C90 H135 Au23 -","- C180 H270 Au46 -","2","1","","Guan, Zong-Jie; Hu, Feng; Li, Jiao-Jiao; Wen, Zhao-Rui; Lin, Yu-Mei; Wang, Quan-Ming","Isomerization in Alkynyl-Protected Gold Nanoclusters.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11836","","","0.71073","MoKα","","0.0815","0.0608","","","0.1358","0.1489","","","","","","1.038","","","","has coordinates,has disorder","247303","2020-10-21","18:00:00",""
"4134070","17.3791","0.0005","19.0145","0.0006","19.144","0.0006","78.085","0.003","72.959","0.003","86.481","0.003","5918.2","0.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C90 H135 Au23 -","- C90 H135 Au23 -","- C180 H270 Au46 -","2","1","","Guan, Zong-Jie; Hu, Feng; Li, Jiao-Jiao; Wen, Zhao-Rui; Lin, Yu-Mei; Wang, Quan-Ming","Isomerization in Alkynyl-Protected Gold Nanoclusters.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11836","","","0.71073","MoKα","","0.0988","0.0701","","","0.152","0.1715","","","","","","1.049","","","","has coordinates,has disorder","247304","2020-10-21","18:00:00",""
"4134071","13.7297","0.0009","8.6471","0.0005","11.9568","0.0015","90","","90","","90","","1419.5","0.2","223","2","223","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H10 Cl4 Fe2 -","- C10 H10 Cl4 Fe2 -","- C40 H40 Cl16 Fe8 -","4","0.5","","Zhang, Han-Yue; Hu, Chun-Li; Hu, Zhao-Bo; Mao, Jiang-Gao; Song, You; Xiong, Ren-Gen","Narrow Band Gap Observed in a Molecular Ferroelastic: Ferrocenium Tetrachloroferrate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13446","","","0.71073","MoKα","","0.0834","0.0631","","","0.1792","0.1936","","","","","","0.976","","","","has coordinates","247305","2020-10-21","18:00:00",""
"4134072","13.902","0.002","8.7619","0.0014","11.972","0.0014","90","","90","","90","","1458.3","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H10 Cl4 Fe Ga -","- C10 H10 Cl4 Fe Ga -","- C40 H40 Cl16 Fe4 Ga4 -","4","0.5","","Zhang, Han-Yue; Hu, Chun-Li; Hu, Zhao-Bo; Mao, Jiang-Gao; Song, You; Xiong, Ren-Gen","Narrow Band Gap Observed in a Molecular Ferroelastic: Ferrocenium Tetrachloroferrate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13446","","","0.71073","MoKα","","0.1431","0.0578","","","0.1213","0.1474","","","","","","1.012","","","","has coordinates","247306","2020-10-21","18:00:00",""
"4134073","13.8181","0.0013","8.7371","0.0009","11.9538","0.0018","90","","90","","90","","1443.2","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H10 Cl4 Fe2 -","- C10 H10 Cl4 Fe2 -","- C40 H40 Cl16 Fe8 -","4","0.5","","Zhang, Han-Yue; Hu, Chun-Li; Hu, Zhao-Bo; Mao, Jiang-Gao; Song, You; Xiong, Ren-Gen","Narrow Band Gap Observed in a Molecular Ferroelastic: Ferrocenium Tetrachloroferrate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13446","","","0.71073","MoKα","","0.1119","0.0882","","","0.2354","0.2507","","","","","","1.083","","","","has coordinates","247307","2020-10-21","18:00:00",""
"4134074","7.0073","0.0003","11.0777","0.0004","12.3625","0.0006","114.095","0.004","94.197","0.004","97.996","0.003","858.49","0.07","179.99","0.1","179.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","0.71073","MoKα","","0.0638","0.052","","","0.1451","0.1529","","","","","","1.047","","","","has coordinates","247308","2020-10-21","18:00:00",""
"4134075","8.8797","0.0003","11.8527","0.0004","14.9997","0.0005","90","","90","","90","","1578.69","0.09","179.99","0.1","179.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","0.71073","MoKα","","0.0392","0.0352","","","0.0939","0.096","","","","","","1.033","","","","has coordinates","247309","2020-10-21","18:00:00",""
"4134076","12.2894","0.0002","8.5781","0.0001","16.1793","0.0002","90","","90","","90","","1705.62","0.04","180","0.12","180","0.12","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","1.54184","CuKα","","0.0328","0.0321","","","0.0866","0.0873","","","","","","1.057","","","","has coordinates","247310","2020-10-21","18:00:00",""
"4134077","7.9564","0.0004","8.9245","0.0005","23.0248","0.001","90","","96.003","0.004","90","","1625.95","0.14","179.99","0.1","179.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","1","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","0.71073","MoKα","","0.0722","0.0546","","","0.1388","0.1497","","","","","","1.002","","","","has coordinates","247311","2020-10-21","18:00:00",""
"4134078","20.5218","0.0004","11.9368","0.0002","13.426","0.0002","90","","93.652","0.002","90","","3282.22","0.1","180.01","0.1","180.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C160 H208 O16 -","8","2","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","1.54184","CuKα","","0.0647","0.0556","","","0.1521","0.1594","","","","","","1.045","","","","has coordinates","247312","2020-10-21","18:00:00",""
"4134079","6.5447","0.0002","11.3048","0.0004","12.0755","0.0003","103.67","0.002","90.651","0.002","94.336","0.003","865.24","0.05","179.99","0.14","179.99","0.14","","","","","","","","3","P -1","-P 1","2","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","1.54184","CuKα","","0.0415","0.0374","","","0.1017","0.1046","","","","","","1.084","","","","has coordinates","247313","2020-10-21","18:00:00",""
"4134080","20.4927","0.0005","13.2198","0.0003","12.8593","0.0003","90","","102.596","0.002","90","","3399.86","0.14","180","0.1","180","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C160 H240 O16 -","8","2","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","0.71073","MoKα","","0.0687","0.0485","","","0.1279","0.1381","","","","","","1.058","","","","has coordinates","247314","2020-10-21","18:00:00",""
"4134081","11.9584","0.0002","26.4385","0.0007","31.6565","0.001","90","","90","","90","","10008.6","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C480 H672 O48 -","24","3","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","0.71073","MoKα","","0.0949","0.0635","","","0.1504","0.1789","","","","","","1.028","","","","has coordinates","247315","2020-10-21","18:00:00",""
"4134082","20.9667","0.0003","20.9667","0.0003","7.7032","0.0003","90","","90","","90","","3386.35","0.15","179.99","0.1","179.99","0.1","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C20 H30 O -","- C20 H30 O -","- C160 H240 O8 -","8","1","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","0.71073","MoKα","","0.0736","0.0516","","","0.1133","0.122","","","","","","1.066","","","","has coordinates","247316","2020-10-21","18:00:00",""
"4134083","10.9261","0.0006","17.1581","0.0009","37.691","0.002","90","","90","","90","","7066","0.7","200","2","199.99","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H33 Ba F6 N3 O12 S2 -","- C27 H33 Ba F6 N3 O12 S2 -","- C216 H264 Ba8 F48 N24 O96 S16 -","8","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.0408","0.037","","","0.098","0.1008","","","","","","1.032","","","","has coordinates","247350","2020-10-21","18:00:00",""
"4134084","11.8509","0.0003","12.0635","0.0004","17.8749","0.0005","90","","90","","90","","2555.46","0.13","200","2","199.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N3 O8 U -","- C25 H31 N3 O8 U -","- C100 H124 N12 O32 U4 -","4","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.0322","0.0298","","","0.07","0.0711","","","","","","1.043","","","","has coordinates,has disorder","247350","2020-10-21","18:00:00",""
"4134085","12.9299","0.0006","13.2222","0.0006","18.4887","0.0009","90","","90","","90","","3160.9","0.3","200","2","199.99","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 F3 K N3 O11 S U -","- C26 H31 F3 K N3 O11 S U -","- C104 H124 F12 K4 N12 O44 S4 U4 -","4","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.04","0.0357","","","0.0953","0.099","","","","","","1.088","","","","has coordinates,has disorder","247350","2020-10-21","18:00:00",""
"4134086","12.9352","0.0002","13.2651","0.0002","18.4739","0.0003","90","","90","","90","","3169.88","0.09","200","2","199.99","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 F3 N3 Na O11 S U -","- C26 H31 F3 N3 Na O11 S U -","- C104 H124 F12 N12 Na4 O44 S4 U4 -","4","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.0296","0.0272","","","0.0643","0.0658","","","","","","1.095","","","","has coordinates,has disorder","247350","2020-10-21","18:00:00",""
"4134087","12.7589","0.0009","13.2831","0.0009","13.7644","0.001","79.402","0.003","64.575","0.003","81.805","0.003","2065.6","0.3","200","2","199.99","","","","","","","","","8","P -1","-P 1","2","","","","- C29.5 H42 Ca F6 N3 O17 S2 U -","- C29.5 H42 Ca F6 N3 O17 S2 U -","- C59 H84 Ca2 F12 N6 O34 S4 U2 -","2","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.0403","0.037","","","0.085","0.0866","","","","","","1.093","","","","has coordinates,has disorder","247350","2020-10-21","18:00:00",""
"4134088","9.1814","0.0006","13.6032","0.0008","18.8769","0.0012","102.095","0.005","102.738","0.006","103.991","0.005","2143.6","0.3","200","2","199.99","","","","","","","","","8","P -1","-P 1","2","","","","- C30 H34 F9 N4 O17 S3 U Y -","- C30 H34 F9 N4 O17 S3 U Y -","- C60 H68 F18 N8 O34 S6 U2 Y2 -","2","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.0669","0.0498","","","0.1223","0.1326","","","","","","1.067","","","","has coordinates","247350","2020-10-21","18:00:00",""
"4134089","7.3867","0.0015","12.145","0.002","15.767","0.003","87.77","0.03","85","0.03","86.84","0.03","1406.1","0.5","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C22.5 H32 Cl3 F3 N2 O3 Pd S -","- C22.5 H32 Cl3 F3 N2 O3 Pd S -","- C45 H64 Cl6 F6 N4 O6 Pd2 S2 -","2","1","","Wang, Yaning; Chai, Junli; You, Chang; Zhang, Jie; Mi, Xueling; Zhang, Long; Luo, Sanzhong","π-Coordinating Chiral Primary Amine/Palladium Synergistic Catalysis for Asymmetric Allylic Alkylation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13026","","","0.71073","MoKα","","0.0618","0.0595","","","0.1327","0.1353","","","","","","1.162","","","","has coordinates,has disorder","247383","2020-10-21","18:00:00",""
"4134090","9.365","0.003","11.859","0.003","13.177","0.003","106.417","0.014","110.789","0.012","93.976","0.015","1288.7","0.6","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C45.17 H60 Cl2 F6 N4 O6 Pd2 S2 -","- C45.084 H60 Cl2 F6 N4 O6 Pd2 S2 -","- C45.084 H60 Cl2 F6 N4 O6 Pd2 S2 -","1","0.5","","Wang, Yaning; Chai, Junli; You, Chang; Zhang, Jie; Mi, Xueling; Zhang, Long; Luo, Sanzhong","π-Coordinating Chiral Primary Amine/Palladium Synergistic Catalysis for Asymmetric Allylic Alkylation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13026","","","0.71073","MoKα","","0.0789","0.0748","","","0.1684","0.1709","","","","","","1.191","","","","has coordinates,has disorder","247384","2020-10-21","18:00:00",""
"4134091","20.6736","0.0004","15.6007","0.0004","36.5467","0.0006","90","","106.33","0.002","90","","11311.6","0.4","172.98","0.1","172.98","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H42 F3 O4 P2 S Se2 -","- C52 H42 F3 O4 P2 S Se2 -","- C416 H336 F24 O32 P16 S8 Se16 -","8","2","","Wang, Wei; Zhu, Haofu; Feng, Lei; Yu, Qun; Hao, Jing-Cheng; Zhu, Rongxiu; Wang, Yao","Dual Chalcogen-Chalcogen Bonding Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12610","","x-ray","1.54178","CuKα","","0.1081","0.0859","","","0.2335","0.2578","","","","","","1.086","","","","has coordinates,has disorder","247385","2020-10-21","18:00:00",""
"4134092","12.1051","0.0001","11.7634","0.0002","15.6847","0.0002","90","","93.563","0.001","90","","2229.14","0.05","173","0.1","173","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 B F4 P Se -","- C24 H20 B F4 P Se -","- C96 H80 B4 F16 P4 Se4 -","4","1","","Wang, Wei; Zhu, Haofu; Feng, Lei; Yu, Qun; Hao, Jing-Cheng; Zhu, Rongxiu; Wang, Yao","Dual Chalcogen-Chalcogen Bonding Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12610","","x-ray","1.54184","CuKα","","0.0552","0.0441","","","0.1108","0.1211","","","","","","1.082","","","","has coordinates","247386","2020-10-21","18:00:00",""
"4134093","12.0332","0.0002","11.753","0.0002","16.0509","0.0002","90","","93.988","0.001","90","","2264.52","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 B F4 P S -","- C24 H20 B F4 P S -","- C96 H80 B4 F16 P4 S4 -","4","1","","Wang, Wei; Zhu, Haofu; Feng, Lei; Yu, Qun; Hao, Jing-Cheng; Zhu, Rongxiu; Wang, Yao","Dual Chalcogen-Chalcogen Bonding Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12610","","x-ray","1.54184","CuKα","","0.0927","0.0818","","","0.2041","0.2139","","","","","","1.067","","","","has coordinates,has disorder","247387","2020-10-21","18:00:00",""
"4134094","13.1005","0.0004","9.2621","0.0002","24.6121","0.0006","90","","91.1697","0.0013","90","","2985.76","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H42 F6 N2 O4 -","- C29 H42 F6 N2 O4 -","- C116 H168 F24 N8 O16 -","4","2","","Liu, Hong-Bing; Imler, Gregory H.; Baldridge, Kim K.; O'Connor, Robert D; Siegel, Jay S.; Deschamps, Jeffrey R.; Bewley, Carole A.","X-ray Crystallography and Unexpected Chiroptical Properties Reassign the Configuration of Haliclonadiamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12926","","","1.54178","CuKα","","0.0416","0.04","","","0.106","0.1075","","","","","","1.024","","","","has coordinates,has disorder","247413","2020-10-21","18:00:00",""
"4134095","13.1044","0.0004","9.2541","0.0003","24.6027","0.0007","90","","91.239","0.0014","90","","2982.86","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H42 F6 N2 O4 -","- C29 H42 F6 N2 O4 -","- C116 H168 F24 N8 O16 -","4","2","","Liu, Hong-Bing; Imler, Gregory H.; Baldridge, Kim K.; O'Connor, Robert D; Siegel, Jay S.; Deschamps, Jeffrey R.; Bewley, Carole A.","X-ray Crystallography and Unexpected Chiroptical Properties Reassign the Configuration of Haliclonadiamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12926","","","1.54178","CuKα","","0.0433","0.0396","","","0.1008","0.1027","","","","","","1.018","","","","has coordinates,has disorder","247414","2020-10-21","18:00:00",""
"4134096","9.4985","0.0003","15.8907","0.0005","16.0857","0.0005","101.396","0.0017","97.1969","0.0019","92.7279","0.0016","2354.78","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H42 F6 N2 O4 -","- C29 H42 F6 N2 O4 -","- C87 H126 F18 N6 O12 -","3","3","","Liu, Hong-Bing; Imler, Gregory H.; Baldridge, Kim K.; O'Connor, Robert D; Siegel, Jay S.; Deschamps, Jeffrey R.; Bewley, Carole A.","X-ray Crystallography and Unexpected Chiroptical Properties Reassign the Configuration of Haliclonadiamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12926","","","1.54178","CuKα","","0.1041","0.0578","","","0.136","0.1548","","","","","","1.016","","","","has coordinates,has disorder","247415","2020-10-21","18:00:00",""
"4134097","10.024","0.0004","11.6749","0.0004","11.9422","0.0004","88.059","0.001","78.739","0.001","76.405","0.001","1332.17","0.08","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C46 H74 B2 Li2 N2 O14 S2 -","- C46 H74 B2 Li2 N2 O14 S2 -","- C46 H74 B2 Li2 N2 O14 S2 -","1","1","","Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin","CO<sub>2</sub> Activation by Lewis Pairs Generated Under Copper Catalysis Enables Difunctionalization of Imines.","Journal of the American Chemical Society","2020","142","4","1966","1974","10.1021/jacs.9b11423","","","0.71073","MoKα","","0.0399","0.0346","","","0.0874","0.0907","","","","","","1.029","","","","has coordinates","247474","2020-10-21","18:00:00",""
"4134098","11.3506","0.0008","21.435","0.0015","11.6494","0.0007","90","","118.503","0.003","90","","2490.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 B Li N O6 -","- C24 H33 B Li N O6 -","- C96 H132 B4 Li4 N4 O24 -","4","1","","Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin","CO<sub>2</sub> Activation by Lewis Pairs Generated Under Copper Catalysis Enables Difunctionalization of Imines.","Journal of the American Chemical Society","2020","142","4","1966","1974","10.1021/jacs.9b11423","","","0.71073","MoKα","","0.0656","0.0394","","","0.0852","0.0947","","","","","","1.052","","","","has coordinates","247475","2020-10-21","18:00:00",""
"4134099","10.566","0.0008","17.8925","0.0015","25.953","0.002","90","","101.234","0.003","90","","4812.5","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H67 B Cu N3 O5 -","- C51 H67 B Cu N3 O5 -","- C204 H268 B4 Cu4 N12 O20 -","4","1","","Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin","CO<sub>2</sub> Activation by Lewis Pairs Generated Under Copper Catalysis Enables Difunctionalization of Imines.","Journal of the American Chemical Society","2020","142","4","1966","1974","10.1021/jacs.9b11423","","","0.71073","MoKα","","0.087","0.053","","","0.1184","0.1331","","","","","","1.035","","","","has coordinates,has disorder","247476","2020-10-21","18:00:00",""
"4134100","13.1375","0.0009","7.6331","0.0005","17.7668","0.0011","90","","90","","90","","1781.7","0.2","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H13 B F4 N2 -","- C6 H13 B F4 N2 -","- C48 H104 B8 F32 N16 -","8","2","","Wei, Zhen-Hong; Jiang, Zhen-Tao; Zhang, Xiu-Xiu; Li, Ming-Li; Tang, Yuan-Yuan; Chen, Xiao-Gang; Cai, Hu; Xiong, Ren-Gen","Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory.","Journal of the American Chemical Society","2020","142","4","1995","2000","10.1021/jacs.9b11665","","","0.71073","MoKα","","0.1151","0.0985","","","0.2697","0.2873","","","","","","1.002","","","","has coordinates","247478","2020-10-21","18:00:00",""
"4134101","13.1772","0.0009","7.6745","0.0005","17.759","0.002","90","","90","","90","","1795.9","0.3","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H13 B F4 N2 -","- C6 H13 B F4 N2 -","- C48 H104 B8 F32 N16 -","8","2","","Wei, Zhen-Hong; Jiang, Zhen-Tao; Zhang, Xiu-Xiu; Li, Ming-Li; Tang, Yuan-Yuan; Chen, Xiao-Gang; Cai, Hu; Xiong, Ren-Gen","Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory.","Journal of the American Chemical Society","2020","142","4","1995","2000","10.1021/jacs.9b11665","","","0.71073","MoKα","","0.1267","0.1068","","","0.286","0.309","","","","","","1.002","","","","has coordinates","247479","2020-10-21","18:00:00",""
"4134102","13.1942","0.0012","7.7179","0.0006","17.793","0.003","90","","90","","90","","1811.9","0.4","273","2","273","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H13 B F4 N2 -","- C6 H13 B F4 N2 -","- C48 H104 B8 F32 N16 -","8","2","","Wei, Zhen-Hong; Jiang, Zhen-Tao; Zhang, Xiu-Xiu; Li, Ming-Li; Tang, Yuan-Yuan; Chen, Xiao-Gang; Cai, Hu; Xiong, Ren-Gen","Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory.","Journal of the American Chemical Society","2020","142","4","1995","2000","10.1021/jacs.9b11665","","","0.71073","MoKα","","0.1281","0.1046","","","0.2894","0.3123","","","","","","1.003","","","","has coordinates","247480","2020-10-21","18:00:00",""
"4134103","11.6748","0.0007","15.0381","0.001","36.178","0.002","90","","90","","90","","6351.7","0.7","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H43 N3 -","- C40 H43 N3 -","- C320 H344 N24 -","8","1","","An, Feng; Maji, Biplab; Min, Elizabeth; Ofial, Armin R.; Mayr, Herbert","Basicities and Nucleophilicities of Pyrrolidines and Imidazolidinones Used as Organocatalysts.","Journal of the American Chemical Society","2020","142","3","1526","1547","10.1021/jacs.9b11877","","","0.71073","MoKα","","0.0801","0.0486","","","0.088","0.0979","","","","","","1.066","","","","has coordinates","247481","2020-10-21","18:00:00",""
"4134104","11.7135","0.0014","14.8409","0.0015","12.0272","0.0013","90","","106.018","0.004","90","","2009.6","0.4","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Br N3 -","- C25 H22 Br N3 -","- C100 H88 Br4 N12 -","4","1","","Lou, Shao-Jie; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Construction of All-Carbon Quaternary Stereocenters by Scandium-Catalyzed Intramolecular C-H Alkylation of Imidazoles with 1,1-Disubstituted Alkenes.","Journal of the American Chemical Society","2020","142","3","1200","1205","10.1021/jacs.9b12503","","","0.71073","MoKα","","0.0543","0.0481","","","0.13","0.1363","","","","","","1.044","","","","has coordinates","247482","2020-10-21","18:00:00",""
"4134105","6.1625","0.0005","8.0217","0.0007","12.3804","0.0011","91.478","0.007","97.316","0.007","111.443","0.008","563.27","0.09","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H25 Br N2 O -","- C27 H25 Br N2 O -","- C27 H25 Br N2 O -","1","1","","Lou, Shao-Jie; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Construction of All-Carbon Quaternary Stereocenters by Scandium-Catalyzed Intramolecular C-H Alkylation of Imidazoles with 1,1-Disubstituted Alkenes.","Journal of the American Chemical Society","2020","142","3","1200","1205","10.1021/jacs.9b12503","","","0.71073","MoKα","","0.0639","0.0545","","","0.1365","0.1418","","","","","","1.029","","","","has coordinates","247483","2020-10-21","18:00:00",""
"4134106","9.9079","0.0014","17.101","0.003","21.218","0.004","90","","97.44","0.005","90","","3564.8","1","273","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 -","- C23 H24 N2 -","- C184 H192 N16 -","8","2","","Lou, Shao-Jie; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Construction of All-Carbon Quaternary Stereocenters by Scandium-Catalyzed Intramolecular C-H Alkylation of Imidazoles with 1,1-Disubstituted Alkenes.","Journal of the American Chemical Society","2020","142","3","1200","1205","10.1021/jacs.9b12503","","","0.71073","MoKα","","0.1241","0.0926","","","0.2525","0.2996","","","","","","1.1796","","","","has coordinates","247484","2020-10-21","18:00:00",""
"4134107","51.021","0.003","8.3783","0.0007","8.2874","0.0006","90","","90","","90","","3542.6","0.4","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C10 H36 Br10 N4 Sn3 -","- C10 H36 Br10 N4 Sn3 -","- C40 H144 Br40 N16 Sn12 -","4","0.5","","Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua","A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor.","Journal of the American Chemical Society","2020","142","3","1159","1163","10.1021/jacs.9b11341","","","0.71073","MoKα","","0.1423","0.1029","","","0.2531","0.2775","","","","","","1.103","","","","has coordinates","247485","2020-10-21","18:00:00",""
"4134108","5.9165","0.0008","5.9165","0.0008","51.658","0.007","90","","90","","90","","1808.3","0.4","373","2","373","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C10 H36 Br10 N4 Sn3 -","- C10 H36 Br10 N4 Sn3 -","- C20 H72 Br20 N8 Sn6 -","2","0.125","","Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua","A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor.","Journal of the American Chemical Society","2020","142","3","1159","1163","10.1021/jacs.9b11341","","","0.71073","MoKα","","0.0836","0.0431","","","0.0924","0.1123","","","","","","1.03","","","","has coordinates,has disorder","247486","2020-10-21","18:00:00",""
"4134109","8.3285","0.0003","51.1418","0.0017","8.3709","0.0003","90","","90","","90","","3565.5","0.2","330","2","330","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C10 H36 Br10 N4 Sn3 -","- C10 H36 Br10 N4 Sn3 -","- C40 H144 Br40 N16 Sn12 -","4","0.25","","Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua","A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor.","Journal of the American Chemical Society","2020","142","3","1159","1163","10.1021/jacs.9b11341","","","0.71073","MoKα","","0.089","0.0628","","","0.175","0.2008","","","","","","1.007","","","","has coordinates","247487","2020-10-21","18:00:00",""
"4134110","28.1578","0.0002","10.3555","0.0001","12.9667","0.0001","90","","93.156","0.001","90","","3775.2","0.05","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C176 H208 N16 O24 -","8","1","","Haelsig, Karl T.; Xuan, Jun; Maimone, Thomas J.","Total Synthesis of (-)-Curvulamine.","Journal of the American Chemical Society","2020","142","3","1206","1210","10.1021/jacs.9b12546","","","1.54184","CuKα","","0.0415","0.0393","","","0.1061","0.1079","","","","","","1.07","","","","has coordinates","247488","2020-10-21","18:00:00",""
"4134111","33.4692","0.0014","33.4692","0.0014","33.4692","0.0014","90","","90","","90","","37492","3","230","2","230","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C120 H72 N12 O33.88 Yb6 -","- C120 H72 N12 O33.86 Yb6 -","- C480 H288 N48 O135.44 Yb24 -","4","0.0208333","","Luo, Tian-Yi; White, David L.; Liu, Chong; Star, Alexander; Rosi, Nathaniel L.; Das, Prasenjit","Luminescence ""Turn-On"" Detection of Gossypol using Ln3±Based Metal-Organic Frameworks and Ln Salts.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11429","","x-ray","1.54178","CuKα","","0.107","0.0983","","","0.2754","0.2831","","","","","","1.308","","","","has coordinates","247489","2020-10-21","18:00:00",""
"4134112","20.9151","0.0004","12.757","0.0002","18.9773","0.0003","90","","100.09","0.0018","90","","4985.1","0.15","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C69 H50 Cl2 -","- C69 H50 Cl2 -","- C276 H200 Cl8 -","4","1","","Li, Yuanming; Yagi, Akiko; Itami, Kenichiro","Synthesis of Highly Twisted, Nonplanar Aromatic Macrocycles Enabled by Axially Chiral 4,5-Diphenylphenanthrene Building Block.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13549","","","0.71073","MoKα","","0.0576","0.0508","","","0.1408","0.1465","","","","","","1.031","","","","has coordinates,has disorder","247490","2020-10-21","18:00:00",""
"4134113","12.1203","0.0004","20.8051","0.0008","21.0967","0.0007","90","","90","","90","","5319.8","0.3","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C73 H58 Cl2 -","- C73 H58 Cl2 -","- C292 H232 Cl8 -","4","1","","Li, Yuanming; Yagi, Akiko; Itami, Kenichiro","Synthesis of Highly Twisted, Nonplanar Aromatic Macrocycles Enabled by Axially Chiral 4,5-Diphenylphenanthrene Building Block.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13549","","","0.71073","MoKα","","0.0821","0.0727","","","0.1937","0.1991","","","","","","1.036","","","","has coordinates,has disorder","247491","2020-10-21","18:00:00",""
"4134114","4.5618","0.0004","16.2462","0.0015","24.088","0.002","90","","91.259","0.01","90","","1784.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","o-phenanthroline / 1,4-diiodotetrafluorobenzene","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C72 H32 F16 I8 N8 -","4","1","","Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael","Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional <sup>19</sup>F Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2020","142","3","1645","1654","10.1021/jacs.9b13701","","","0.71073","MoKα","","0.0763","0.048","","","0.103","0.1092","","","","","","1.029","","","","has coordinates","247492","2020-10-21","18:00:00",""
"4134115","10.4907","0.0002","5.5679","0.0001","23.0787","0.0004","90","","90.765","0.001","90","","1347.93","0.04","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","acr-tfib 2/1","acridine-tetrafluoro-1,4-dioodobenzene 2/1","","- C32 H18 F4 I2 N2 -","- C32 H18 F4 I2 N2 -","- C64 H36 F8 I4 N4 -","2","0.5","","Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael","Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional <sup>19</sup>F Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2020","142","3","1645","1654","10.1021/jacs.9b13701","","","0.71073","MoKα","","0.0514","0.0346","","","0.096","0.1249","","","","","","1.214","","","","has coordinates","247493","2020-10-21","18:00:00",""
"4134116","11.0573","0.0004","5.7031","0.0002","14.0136","0.0006","90","","106.908","0.003","90","","845.51","0.06","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,3,5,6-tetramethylpyrazine / 1,4-diiodotetrafluorobenzene","2,3,5,6-tetramethylpyrazine / 1,4-diiodotetrafluorobenzene","","- C14 H12 F4 I2 N2 -","- C14 H12 F4 I2 N2 -","- C28 H24 F8 I4 N4 -","2","0.5","","Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael","Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional <sup>19</sup>F Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2020","142","3","1645","1654","10.1021/jacs.9b13701","","","0.71073","MoKα","","0.0586","0.0297","","","0.0675","0.0785","","","","","","1","","","","has coordinates","247494","2020-10-21","18:00:00",""
"4134117","8.6329","0.0012","9.156","0.0013","12.5796","0.0018","99.119","0.002","100.021","0.003","90.017","0.002","966.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","5-fluorouracil","","- C4 H3 F N2 O2 -","- C4 H3 F N2 O2 -","- C32 H24 F8 N16 O16 -","8","4","","Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael","Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional <sup>19</sup>F Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2020","142","3","1645","1654","10.1021/jacs.9b13701","","","0.71073","MoKα","","0.0661","0.0491","","","0.1112","0.1216","","","","","","1.017","","","","has coordinates","247495","2020-10-21","18:00:00",""
"4134118","16.8553","0.0004","12.3832","0.0003","37.1996","0.0008","90","","93.846","0.002","90","","7746.9","0.3","170","0.1","170","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H51 N O2 -","- C49 H51 N O2 -","- C392 H408 N8 O16 -","8","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1141","0.0818","","","0.2209","0.2584","","","","","","1.042","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4134119","14.2903","0.0005","17.0847","0.0004","17.5892","0.0005","90","","97.972","0.003","90","","4252.8","0.2","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H52 Cl3 N -","- C51 H52 Cl3 N -","- C204 H208 Cl12 N4 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1603","0.1252","","","0.3612","0.3981","","","","","","1.471","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4134120","33.0129","0.0012","14.4043","0.0005","25.2944","0.001","90","","112.475","0.004","90","","11114.6","0.8","100.2","0.9","100.2","0.9","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C67.53 H61.29 Cl3.64 -","- C67.557 H61.294 Cl3.647 -","- C540.456 H490.352 Cl29.176 -","8","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1453","0.1151","","","0.3206","0.3593","","","","","","1.294","","","","has coordinates,has disorder","247498","2020-10-21","18:00:00",""
"4134121","10.5901","0.0001","13.8435","0.0002","26.7612","0.0004","90","","94.326","0.001","90","","3912.12","0.09","169.99","0.11","169.99","0.11","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H59 O2 -","- C50 H59 O2 -","- C200 H236 O8 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.107","0.0703","","","0.1856","0.2035","","","","","","1.097","","","","has coordinates","247499","2020-10-21","18:00:00",""
"4134122","17.5666","0.0004","11.9458","0.0002","21.4091","0.0005","90","","111.119","0.003","90","","4190.89","0.18","169.98","0.1","169.98","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 -","- C48 H68 -","- C192 H272 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.0727","0.0702","","","0.1776","0.18","","","","","","1.076","","","","has coordinates","247500","2020-10-21","18:00:00",""
"4134123","14.1678","0.0002","17.2717","0.0003","17.8226","0.0002","90","","97.914","0.001","90","","4319.69","0.11","170","0.1","170","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H59 N -","- C50 H59 N -","- C200 H236 N4 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.0773","0.0616","","","0.1735","0.1885","","","","","","1.066","","","","has coordinates","247501","2020-10-21","18:00:00",""
"4134124","17.7064","0.0003","18.1407","0.0003","19.7159","0.0004","90","","108.079","0.002","90","","6020.2","0.2","169.99","0.11","169.99","0.11","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C82 H80 -","- C82 H80 -","- C328 H320 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1004","0.0734","","","0.1966","0.2213","","","","","","1.042","","","","has coordinates","247502","2020-10-21","18:00:00",""
"4134125","18.4244","0.0005","10.1229","0.0002","42.563","0.001","90","","99.643","0.002","90","","7826.2","0.3","169.99","0.1","169.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C98 H98 Cl6 -","- C98 H98 Cl6 -","- C392 H392 Cl24 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1845","0.1406","","","0.3849","0.4208","","","","","","1.421","","","","has coordinates,has disorder","247503","2020-10-21","18:00:00",""
"4134126","11.0308","0.0014","15.926","0.002","19.347","0.003","99.202","0.006","99.067","0.006","104.442","0.006","3179","0.8","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C136 H104 F24 N8 O20 -","- C136 H104 F24 N8 O20 -","- C136 H104 F24 N8 O20 -","1","0.5","","Liu, Wenqi; Bobbala, Sharan; Stern, Charlotte L.; Hornick, Jessica; Liu, Yugang; Enciso, Alan Enrique; Scott, Evan A.; Stoddart, J. Fraser","XCage: A Tricyclic Octacationic Receptor for Perylene Diimide with Picomolar Affinity in Water.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12982","","","1.54178","CuKα","","0.0611","0.0536","","","0.1439","0.1503","","","","","","1.033","","","","has coordinates,has disorder","247852","2020-10-21","18:00:00",""
"4134127","40.109","0.004","40.109","0.004","10.8259","0.0013","90","","90","","90","","17416","3","100","2","100","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C136 H118 F42 N16 O6 P7 -","- C136 H118 F42 N16 O6 P7 -","- C544 H472 F168 N64 O24 P28 -","4","0.5","","Liu, Wenqi; Bobbala, Sharan; Stern, Charlotte L.; Hornick, Jessica; Liu, Yugang; Enciso, Alan Enrique; Scott, Evan A.; Stoddart, J. Fraser","XCage: A Tricyclic Octacationic Receptor for Perylene Diimide with Picomolar Affinity in Water.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12982","","","1.54178","CuKα","","0.1341","0.1051","","","0.2703","0.2963","","","","","","1.142","","","","has coordinates,has disorder","247853","2020-10-21","18:00:00",""
"4134128","14.0428","0.0012","10.8941","0.0009","16.0875","0.0013","90","","113.291","0.005","90","","2260.6","0.3","100","2","100.03","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N4 -","- C32 H22 N4 -","- C128 H88 N16 -","4","1","","Liu, Wenqi; Bobbala, Sharan; Stern, Charlotte L.; Hornick, Jessica; Liu, Yugang; Enciso, Alan Enrique; Scott, Evan A.; Stoddart, J. Fraser","XCage: A Tricyclic Octacationic Receptor for Perylene Diimide with Picomolar Affinity in Water.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12982","","","1.54178","CuKα","","0.0667","0.0634","","","0.171","0.1751","","","","","","1.083","","","","has coordinates","247854","2020-10-21","18:00:00",""
"4134129","6.009","0.002","8.492","0.003","16.817","0.006","81.867","0.007","86.681","0.008","71.757","0.007","806.7","0.5","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 F12 N4 O4 P2 -","- C32 H30 F12 N4 O4 P2 -","- C32 H30 F12 N4 O4 P2 -","1","0.5","","Liu, Wenqi; Bobbala, Sharan; Stern, Charlotte L.; Hornick, Jessica; Liu, Yugang; Enciso, Alan Enrique; Scott, Evan A.; Stoddart, J. Fraser","XCage: A Tricyclic Octacationic Receptor for Perylene Diimide with Picomolar Affinity in Water.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12982","","","0.71073","MoKα","","0.1055","0.0471","","","0.0936","0.1135","","","","","","1.008","","","","has coordinates","247855","2020-10-21","18:00:00",""
"4134130","26.8848","0.0011","18.2115","0.0008","28.4594","0.0013","90","","90","","90","","13934.1","1.1","90","","90","","","","","","","","","8","P c a 21","P 2c -2ac","29","","C75H72BCl8F4N4O3Ru","","- C75 H71 B Cl8 F4 N4 O3 Ru -","- C75 H71 B Cl8 F4 N4 O3 Ru -","- C600 H568 B8 Cl64 F32 N32 O24 Ru8 -","8","2","","Zhang, Yutong; Diver, Steven T.","A Macrocyclic Ruthenium Carbene for Size-Selective Alkene Metathesis.","Journal of the American Chemical Society","2020","142","7","3371","3374","10.1021/jacs.0c00081","","","0.71073","MoKα","","0.0916","0.0687","","","0.1789","0.1981","","","","","","1.036","","","","has coordinates,has disorder","248710","2020-10-21","18:00:00",""
"4134131","27.9046","0.0008","27.1387","0.001","20.2736","0.0009","90","","92.255","0.002","90","","15341.2","1","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51.5 H48.5 Cl1.5 Hg N18 O6 -","- C51.5 H48.5 Cl1.5 Hg N18 O6 -","- C412 H388 Cl12 Hg8 N144 O48 -","8","2","","Shi, Qixun; Zhou, Xiaohong; Yuan, Wei; Su, Xiaoshi; Neniškis, Algirdas; Wei, Xin; Taujenis, Lukas; Snarskis, Gustautas; Ward, Jas S.; Rissanen, Kari; de Mendoza, Javier; Orentas, Edvinas","Selective Formation of S4- and T-Symmetric Supramolecular Tetrahedral Cages and Helicates in Polar Media Assembled via Cooperative Action of Coordination and Hydrogen-Bonds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00722","","","1.54178","CuKα","","0.1959","0.1335","","","0.3611","0.4101","","","","","","1.161","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4134132","9.1503","0.0006","5.3942","0.0003","22.8539","0.0014","90","","92.5446","0.0016","90","","1126.92","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N8 O3 S -","- C6 H10 N8 O3 S -","- C24 H40 N32 O12 S4 -","4","1","","Huang, Wei; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Nitrogen-Rich Tetrazolo[1,5-b]pyridazine: Promising Building Block for Advanced Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00161","","","0.71073","MoKα","","0.0642","0.0439","","","0.1118","0.1228","","","","","","1.035","","","","has coordinates","247956","2020-10-21","18:00:00",""
"4134133","8.5532","0.001","9.8822","0.0011","9.8764","0.0011","90","","105.449","0.002","90","","804.63","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H2 N10 O2 -","- C4 H2 N10 O2 -","- C16 H8 N40 O8 -","4","1","","Huang, Wei; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Nitrogen-Rich Tetrazolo[1,5-b]pyridazine: Promising Building Block for Advanced Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00161","","","0.71073","MoKα","","0.1702","0.0575","","","0.0966","0.1252","","","","","","1.006","","","","has coordinates","247957","2020-10-21","18:00:00",""
"4134134","12.876","0.002","19.258","0.003","3.752","0.0007","90","","90.828","0.003","90","","930.3","0.3","296","2","296","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C4 H9 Cl N8 O2 -","- C4 H9 Cl N8 O2 -","- C16 H36 Cl4 N32 O8 -","4","1","","Huang, Wei; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Nitrogen-Rich Tetrazolo[1,5-b]pyridazine: Promising Building Block for Advanced Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00161","","","0.71073","MoKα","","0.0658","0.0417","","","0.0835","0.0928","","","","","","1.023","","","","has coordinates","247958","2020-10-21","18:00:00",""
"4134135","6.621","0.002","24.19","0.007","7.616","0.002","90","","101.177","0.01","90","","1196.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Cl N6 Na O6 -","- C4 H12 Cl N6 Na O6 -","- C16 H48 Cl4 N24 Na4 O24 -","4","1","","Huang, Wei; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Nitrogen-Rich Tetrazolo[1,5-b]pyridazine: Promising Building Block for Advanced Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00161","","","0.71073","MoKα","","0.053","0.047","","","0.1119","0.1144","","","","","","1.133","","","","has coordinates","247959","2020-10-21","18:00:00",""
"4134136","15.0892","0.0006","21.1101","0.0006","13.0805","0.0004","90","","98.788","0.002","90","","4117.7","0.2","104","2","103.8","","","","","","","","","3","C 1 2/m 1","-C 2y","12","alpha dodecatungstochromate(III)","","","- Cr0.6 O40 W12 -","- Cr0.6 O40 W12 -","- Cr1.2 O80 W24 -","2","0.25","","Gumerova, Nadiia I.; Roller, Alexander; Giester, Gerald; Krzystek, J.; Cano, Joan; Rompel, Annette","Incorporation of Cr<sup>III</sup> into a Keggin Polyoxometalate as a Chemical Strategy to Stabilize a Labile {Cr<sup>III</sup>O<sub>4</sub>} Tetrahedral Conformation and Promote Unattended Single-Ion Magnet Properties.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12797","","x-ray","1.54178","CuKα","","0.0724","0.0666","","","0.1802","0.1857","","","","","","1.086","","","","has coordinates,has disorder","247960","2020-10-21","18:00:00",""
"4134137","38.946","0.019","22.898","0.004","46.386","0.009","90","","103.52","0.03","90","","40220","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C407.65 H443.3 Cl1.3 N24 O67 -","- C407.65 H443.3 Cl1.3 N24 O67 -","- C1630.6 H1773.2 Cl5.2 N96 O268 -","4","1","","Moshniaha, Liliia; Żyła-Karwowska, Marika; Chmielewski, Piotr J.; Lis, Tadeusz; Cybinska, Joanna; Gońka, Elżbieta; Oschwald, Johannes; Drewello, Thomas; Medina Rivero, Samara; Casado, Juan; Stępień, Marcin","Aromatic Nanosandwich Obtained by σ-Dimerization of a Nanographenoid π-Radical.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13942","","","1.54184","CuKα","","0.3053","0.1414","","","0.3047","0.4219","","","","","","1.148","","","","has coordinates,has disorder","247961","2020-10-21","18:00:00",""
"4134138","9.587","0.0002","13.1727","0.0003","16.0211","0.0003","91.788","0.002","91.228","0.001","91.613","0.002","2020.96","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","Pd(PCy3)2(OAc)2","","","- C40 H72 O4 P2 Pd -","- C40 H72 O4 P2 Pd -","- C80 H144 O8 P4 Pd2 -","2","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0306","0.026","","","0.0641","0.0659","","","","","","1.053","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134139","10.2937","0.0003","13.7632","0.0003","17.3117","0.0004","87.089","0.002","73.891","0.002","76.606","0.002","2291.99","0.1","169.97","0.18","169.97","0.18","","","","","","","","6","P -1","-P 1","2","Pd(PCy3)2(OAc)(SO2C6H4Me)","","","- C45 H76 O4 P2 Pd S -","- C45 H76 O4 P2 Pd S -","- C90 H152 O8 P4 Pd2 S2 -","2","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0304","0.0259","","","0.0622","0.0642","","","","","","1.053","","","","has coordinates","248712","2020-10-21","18:00:00",""
"4134140","10.0029","0.0002","29.0336","0.0008","11.5546","0.0003","90","","97.295","0.002","90","","3328.53","0.14","169.98","0.1","169.98","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Pd(PCy3)(SO2C5H3N)2","","","- C29 H43 Cl2 N2 O4 P Pd S2 -","- C29 H43 Cl2 N2 O4 P Pd S2 -","- C116 H172 Cl8 N8 O16 P4 Pd4 S8 -","4","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0326","0.0252","","","0.0535","0.0559","","","","","","1.019","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134141","13.3684","0.0004","24.2919","0.0006","9.5064","0.0002","90","","99.501","0.002","90","","3044.8","0.14","169.99","0.1","169.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(4-F-C6H4)Pd(PCy3)(SO2C6H4Me)]2","","","- C62 H88 F2 O4 P2 Pd2 S2 -","- C62 H88 F2 O4 P2 Pd2 S2 -","- C124 H176 F4 O8 P4 Pd4 S4 -","2","0.5","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0541","0.0408","","","0.0769","0.0802","","","","","","1.163","","","","has coordinates","248712","2020-10-21","18:00:00",""
"4134142","13.5764","0.001","24.6","0.002","9.5037","0.0006","90","","100.444","0.007","90","","3121.5","0.4","150","0.19","150","0.19","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(4-F-C6H4)Pd(PCy3)(SO2C6H4CF3)]2","","","- C62 H82 F8 O4 P2 Pd2 S2 -","- C62 H82 F8 O4 P2 Pd2 S2 -","- C124 H164 F16 O8 P4 Pd4 S4 -","2","0.5","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.0669","0.0611","","","0.1464","0.1502","","","","","","1.071","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134143","33.707","0.002","9.0995","0.0003","27.7743","0.0018","90","","130.842","0.011","90","","6444.6","1.2","169.98","0.1","169.98","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","(4-F-C6H4)Pd(PCy3)(SO2C6H4N)","","","- C32 H48 F N O2 P Pd S -","- C32 H48 F N O2 P Pd S -","- C256 H384 F8 N8 O16 P8 Pd8 S8 -","8","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0588","0.0386","","","0.0814","0.0886","","","","","","1.059","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134144","8.8944","0.0003","10.3439","0.0003","17.8359","0.0007","79.425","0.003","82.298","0.003","78.361","0.002","1571.88","0.1","150.01","0.12","150.01","0.12","","","","","","","","9","P -1","-P 1","2","(4-F-C6H4)Pd(PCy3)(SO2C6H3NOMe)","","","- C30.5 H44 Cl F N O3 P Pd S -","- C30.5 H44 Cl F N O3 P Pd S -","- C61 H88 Cl2 F2 N2 O6 P2 Pd2 S2 -","2","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.0341","0.0292","","","0.0703","0.0734","","","","","","1.037","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134145","12.1932","0.0007","13.162","0.0007","13.4651","0.0008","64.568","0.005","86.354","0.005","77.968","0.005","1907.9","0.2","150.01","0.1","150.01","0.1","","","","","","","","9","P -1","-P 1","2","(4-F-C6H4)Pd(PCy3)(SO2C6H3NtBu)","","","- C68 H100 Cl6 F2 N2 O4 P2 Pd2 S2 -","- C68 H100 Cl6 F2 N2 O4 P2 Pd2 S2 -","- C68 H100 Cl6 F2 N2 O4 P2 Pd2 S2 -","1","0.5","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.057","0.0463","","","0.1187","0.1324","","","","","","1.034","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134146","9.7818","0.0003","13.9735","0.0004","33.9579","0.0009","90","","90","","90","","4641.6","0.2","169.98","0.1","169.98","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","(4-F-C6H4)Pd(PCy3)2(SO2C6H4Me)","","","- C47.95 H75.95 Br0.15 F O1.7 P2 Pd S0.85 -","- C47.95 H75.95 Br0.15 F O1.7 P2 Pd S0.85 -","- C191.8 H303.8 Br0.6 F4 O6.8 P8 Pd4 S3.4 -","4","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.055","0.0468","","","0.0989","0.102","","","","","","1.108","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134147","9.5185","0.0006","13.3787","0.0006","14.2586","0.0008","62.876","0.005","78.221","0.005","78.401","0.004","1569.84","0.17","150.01","0.11","150.01","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C62 H88 F2 O6 P2 Pd2 S2 -","- C62 H88 F2 O6 P2 Pd2 S2 -","- C62 H88 F2 O6 P2 Pd2 S2 -","1","0.5","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.0851","0.0685","","","0.1942","0.2221","","","","","","1.055","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134148","10.5859","0.0001","20.2148","0.0002","28.1308","0.0003","90","","95.53","0.001","90","","5991.75","0.1","150","0.13","150","0.13","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 F4 N O2 P Pd S -","- C30 H40 F4 N O2 P Pd S -","- C240 H320 F32 N8 O16 P8 Pd8 S8 -","8","2","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.0315","0.0275","","","0.0663","0.0687","","","","","","1.051","","","","has coordinates","248712","2020-10-21","18:00:00",""
"4134149","11.2702","0.0007","11.8317","0.0007","12.8794","0.001","100.208","0.003","90.767","0.003","110.714","0.003","1575.56","0.19","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H90 N6 O4 Ru -","- C72 H90 N6 O4 Ru -","- C72 H90 N6 O4 Ru -","1","0.5","","Dunn, Peter L.; Johnson, Samantha I.; Kaminsky, Werner; Bullock, R. Morris","Diversion of Catalytic C-N Bond Formation to Catalytic Oxidation of NH<sub>3</sub> through Modification of the Hydrogen Atom Abstractor.","Journal of the American Chemical Society","2020","142","7","3361","3365","10.1021/jacs.9b13706","","x-ray","0.71073","MoKα","","0.0876","0.0643","","","0.1407","0.1521","","","","","","1.027","","","","has coordinates,has disorder","248711","2020-10-21","18:00:00",""
"4134150","9.6158","0.0009","10.5411","0.001","13.8499","0.0014","99.752","0.003","106.021","0.004","98.98","0.004","1299","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H36 O -","- C33 H36 O -","- C66 H72 O2 -","2","1","","Dunn, Peter L.; Johnson, Samantha I.; Kaminsky, Werner; Bullock, R. Morris","Diversion of Catalytic C-N Bond Formation to Catalytic Oxidation of NH<sub>3</sub> through Modification of the Hydrogen Atom Abstractor.","Journal of the American Chemical Society","2020","142","7","3361","3365","10.1021/jacs.9b13706","","","0.71073","MoKα","","0.0666","0.0521","","","0.132","0.1433","","","","","","1.031","","","","has coordinates","248711","2020-10-21","18:00:00",""
"4134151","9.8007","0.0008","15.2538","0.001","18.072","0.0012","90","","90.781","0.003","90","","2701.5","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H73 N O2 -","- C68 H73 N O2 -","- C136 H146 N2 O4 -","2","1","","Dunn, Peter L.; Johnson, Samantha I.; Kaminsky, Werner; Bullock, R. Morris","Diversion of Catalytic C-N Bond Formation to Catalytic Oxidation of NH<sub>3</sub> through Modification of the Hydrogen Atom Abstractor.","Journal of the American Chemical Society","2020","142","7","3361","3365","10.1021/jacs.9b13706","","","0.71073","MoKα","","0.0592","0.0501","","","0.12","0.1263","","","","","","1.016","","","","has coordinates","248711","2020-10-21","18:00:00",""
"4134152","9.9018","0.0003","9.3208","0.0003","10.9888","0.0004","90","","98.357","0.003","90","","1003.42","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H21 N -","- C29 H21 N -","- C58 H42 N2 -","2","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","x-ray","1.54184","CuKα","","0.062","0.0503","","","0.1748","0.1867","","","","","","1.271","","","","has coordinates","247999","2020-10-21","18:00:00",""
"4134153","7.3665","0.0003","11.7506","0.0005","24.4058","0.0009","90","","93.813","0.004","90","","2107.91","0.15","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Br N -","- C28 H20 Br N -","- C112 H80 Br4 N4 -","4","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","x-ray","0.71073","MoKα","","0.0593","0.044","","","0.0951","0.1056","","","","","","1.033","","","","has coordinates","248000","2020-10-21","18:00:00",""
"4134154","13.359","0.0002","9.3701","0.0002","17.1113","0.0003","90","","90","","90","","2141.91","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C29 H20 F3 N -","- C29 H20 F3 N -","- C116 H80 F12 N4 -","4","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","x-ray","1.54184","CuKα","","0.0443","0.043","","","0.114","0.1165","","","","","","1.055","","","","has coordinates","248001","2020-10-21","18:00:00",""
"4134155","8.52164","0.0001","18.4767","0.0002","12.06929","0.00012","90","","95.2464","0.001","90","","1892.37","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 N -","- C29 H19 N -","- C116 H76 N4 -","4","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","x-ray","1.54184","CuKα","","0.0498","0.0429","","","0.1131","0.1221","","","","","","1.076","","","","has coordinates","248002","2020-10-21","18:00:00",""
"4134156","9.248","0.002","10.033","0.002","21.131","0.005","90","","92.615","0.005","90","","1958.6","0.7","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 N -","- C28 H23 N -","- C112 H92 N4 -","4","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","","0.71073","MoKα","","0.1354","0.0837","","","0.1809","0.2072","","","","","","1.091","","","","has coordinates","248003","2020-10-21","18:00:00",""
"4134157","17.1558","0.0004","5.6825","0.00013","18.9738","0.0004","90","","101.778","0.002","90","","1810.77","0.07","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","x-ray","1.54184","CuKα","","0.0558","0.0463","","","0.1128","0.1267","","","","","","1.07","","","","has coordinates","248004","2020-10-21","18:00:00",""
"4134158","9.1204","0.0018","18.592","0.004","11.379","0.002","90","","108.39","0.003","90","","1831","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","","0.71073","MoKα","","0.0686","0.0591","","","0.1255","0.1299","","","","","","1.161","","","","has coordinates","248005","2020-10-21","18:00:00",""
"4134159","25.574","0.005","27.719","0.006","29.313","0.006","90","","108.43","0.03","90","","19714","8","153","2","153","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H133 F12 N2 O12 P2 -","- C102 H133 F12 N2 O12 P2 -","- C816 H1064 F96 N16 O96 P16 -","8","1","","Jia, Fei; Schröder, Hendrik V; Yang, Liu-Pan; von Essen, Carolina; Sobottka, Sebastian; Sarkar, Biprajit; Rissanen, Kari; Jiang, Wei; Schalley, Christoph A.","Redox-Responsive Host-Guest Chemistry of a Flexible Cage with Naphthalene Walls.","Journal of the American Chemical Society","2020","142","7","3306","3310","10.1021/jacs.9b11685","","","0.71073","MoKα","","0.1368","0.077","","","0.1705","0.2076","","","","","","1.02","","","","has coordinates","248709","2020-10-21","18:00:00",""
"4134160","15.8749","0.0006","16.2805","0.0006","18.0681","0.0006","90","","90","","90","","4669.7","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ZIF-UC-3","Zn(Im)1.81(ClmbIm)0.19","","- C16.22 H18.58 Cl0.38 N8.78 O0.78 Zn2 -","- C16.215 H17.46 Cl0.375 N8.78 O0.78 Zn2 -","- C129.72 H139.68 Cl3 N70.24 O6.24 Zn16 -","8","1","","Hou, Jingwei; Rios, Laura; Krajnc, Andraž; McCaul, Aoife; Li, Shichun; Bumstead, Alice; Sapnik, Adam; Deng, Zeyu; Lin, Rijia; Chater, Philip A.; Keeble, Dean S.; Keen, David A.; Appadoo, Dominique; Chan, Bun; Chen, Vicki; Mali, Gregor; Bennett, Thomas D.","Halogenated Metal-Organic Framework Glasses and Liquids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11639","","","1.54184","CuKα","","0.1257","0.0968","","","0.295","0.3257","","","","","","1.205","","","","has coordinates,has disorder","248049","2020-10-21","18:00:00",""
"4134161","15.556","0.0005","15.6538","0.0005","18.0875","0.0006","90","","90","","90","","4404.5","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ZIF-UC-2","Zn(Im)1.87(ClFbIm)0.13","","- C13.04 H12 Cl0.26 F0.26 N8 Zn2 -","- C13.04 H12 Cl0.26 F0.26 N8 Zn2 -","- C104.32 H96 Cl2.08 F2.08 N64 Zn16 -","8","1","","Hou, Jingwei; Rios, Laura; Krajnc, Andraž; McCaul, Aoife; Li, Shichun; Bumstead, Alice; Sapnik, Adam; Deng, Zeyu; Lin, Rijia; Chater, Philip A.; Keeble, Dean S.; Keen, David A.; Appadoo, Dominique; Chan, Bun; Chen, Vicki; Mali, Gregor; Bennett, Thomas D.","Halogenated Metal-Organic Framework Glasses and Liquids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11639","","","1.54184","CuKα","","0.0535","0.0459","","","0.1408","0.1511","","","","","","1.074","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"4134162","15.697","0.0008","15.9694","0.001","17.9282","0.0016","90","","90","","90","","4494.1","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ZIF-UC-4","Zn(Im)1.66(FbIm)0.34","","- C14.73 H12 F0.68 N8 Zn2 -","- C14.728 H12.682 F0.682 N8 Zn2 -","- C117.824 H101.456 F5.456 N64 Zn16 -","8","1","","Hou, Jingwei; Rios, Laura; Krajnc, Andraž; McCaul, Aoife; Li, Shichun; Bumstead, Alice; Sapnik, Adam; Deng, Zeyu; Lin, Rijia; Chater, Philip A.; Keeble, Dean S.; Keen, David A.; Appadoo, Dominique; Chan, Bun; Chen, Vicki; Mali, Gregor; Bennett, Thomas D.","Halogenated Metal-Organic Framework Glasses and Liquids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11639","","x-ray","1.54184","CuKα","","0.1017","0.0663","","","0.1901","0.2174","","","","","","1.065","","","","has coordinates,has disorder","248051","2020-10-21","18:00:00",""
"4134163","15.726","0.0008","16.0184","0.0011","18.1617","0.001","90","","90","","90","","4575","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ZIF-UC-5","Zn(Im)1.72(ClbIm)0.28","","- C15.44 H14.73 Cl0.57 N8.39 O0.39 Zn2 -","- C15.439 H15.291 Cl0.568 N8.389 O0.389 Zn2 -","- C123.512 H122.328 Cl4.544 N67.112 O3.112 Zn16 -","8","1","","Hou, Jingwei; Rios, Laura; Krajnc, Andraž; McCaul, Aoife; Li, Shichun; Bumstead, Alice; Sapnik, Adam; Deng, Zeyu; Lin, Rijia; Chater, Philip A.; Keeble, Dean S.; Keen, David A.; Appadoo, Dominique; Chan, Bun; Chen, Vicki; Mali, Gregor; Bennett, Thomas D.","Halogenated Metal-Organic Framework Glasses and Liquids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11639","","","1.54184","CuKα","","0.0872","0.0646","","","0.1888","0.2107","","","","","","1.103","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"4134164","10.0903","0.0005","16.1879","0.0007","14.6275","0.0006","90","","90","","90","","2389.27","0.19","90","2","90","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H34 Co N7 O2 -","- C18 H34 Co N7 O2 -","- C72 H136 Co4 N28 O8 -","4","0.5","","Wang, Junhao; Zakrzewski, Jakub J.; Heczko, Michal; Zychowicz, Mikolaj; Nakagawa, Kosuke; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Proton Conductive Luminescent Thermometer Based on Near-Infrared Emissive {YbCo<sub>2</sub>} Molecular Nanomagnets.","Journal of the American Chemical Society","2020","142","8","3970","3979","10.1021/jacs.9b13147","","x-ray","0.71075","MoKα","","0.1824","0.1617","","","0.2585","0.2664","","","","","","1.417","","","","has coordinates,has disorder","248703","2020-10-21","18:00:00",""
"4134165","12.7427","0.001","12.7427","0.001","19.2613","0.0007","90","","90","","90","","3127.6","0.4","90","2","90","2","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- C36 H83 Co2 N24 O8 P4 Yb -","- C36 H83 Co2 N24 O8 P4 Yb -","- C72 H166 Co4 N48 O16 P8 Yb2 -","2","0.0625","","Wang, Junhao; Zakrzewski, Jakub J.; Heczko, Michal; Zychowicz, Mikolaj; Nakagawa, Kosuke; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Proton Conductive Luminescent Thermometer Based on Near-Infrared Emissive {YbCo<sub>2</sub>} Molecular Nanomagnets.","Journal of the American Chemical Society","2020","142","8","3970","3979","10.1021/jacs.9b13147","","x-ray","0.71075","MoKα","","0.0678","0.0672","","","0.1696","0.1704","","","","","","1.098","","","","has coordinates,has disorder","248703","2020-10-21","18:00:00",""
"4134166","9.9436","0.0003","10.0616","0.0003","33.1823","0.001","90","","94.971","0.001","90","","3307.35","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H32 B2 N2 O2 -","- C23 H32 B2 N2 O2 -","- C138 H192 B12 N12 O12 -","6","3","","Viereck, Peter; Krautwald, Simon; Pabst, Tyler P.; Chirik, Paul J.","A Boron Activating Effect Enables Cobalt-Catalyzed Asymmetric Hydrogenation of Sterically Hindered Alkenes.","Journal of the American Chemical Society","2020","142","8","3923","3930","10.1021/jacs.9b12214","","","1.54178","CuKα","","0.0483","0.0461","","","0.1253","0.1281","","","","","","1.123","","","","has coordinates","248705","2020-10-21","18:00:00",""
"4134167","12.8184","0.0005","14.4126","0.0006","13.8468","0.0005","90","","98.915","0.001","90","","2527.24","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H31 B3 N4 O2 -","- C28 H31 B3 N4 O2 -","- C112 H124 B12 N16 O8 -","4","2","","Viereck, Peter; Krautwald, Simon; Pabst, Tyler P.; Chirik, Paul J.","A Boron Activating Effect Enables Cobalt-Catalyzed Asymmetric Hydrogenation of Sterically Hindered Alkenes.","Journal of the American Chemical Society","2020","142","8","3923","3930","10.1021/jacs.9b12214","","","1.54178","CuKα","","0.0467","0.0464","","","0.1247","0.1251","","","","","","1.038","","","","has coordinates","248705","2020-10-21","18:00:00",""
"4134168","13.6508","0.0005","6.5437","0.0002","16.043","0.0005","90","","96.376","0.003","90","","1424.2","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 B O2 -","- C16 H21 B O2 -","- C64 H84 B4 O8 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0681","0.0504","","","0.1082","0.1172","","","","","","1.031","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134169","16.4821","0.0011","11.7361","0.0007","12.1569","0.0007","90","","110.168","0.007","90","","2207.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B2 O4 -","- C22 H32 B2 O4 -","- C88 H128 B8 O16 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0936","0.0713","","","0.1815","0.1906","","","","","","0.99","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134170","12.6555","0.0004","11.109","0.0004","9.1227","0.0004","90","","98.759","0.004","90","","1267.6","0.08","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 F3 -","- C17 H13 F3 -","- C68 H52 F12 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0629","0.0464","","","0.0975","0.1063","","","","","","1.063","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134171","6.0297","0.0002","17.3499","0.0005","18.4258","0.0007","69.193","0.003","84.17","0.003","86.052","0.003","1791.46","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C96 H78 N6 O12 -","6","3","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.1","0.0576","","","0.1145","0.1306","","","","","","1.013","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134172","6.1082","0.0002","7.4449","0.0002","13.477","0.0005","90","","94.885","0.003","90","","610.64","0.03","150","0.14","150","0.14","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O -","- C17 H16 O -","- C34 H32 O2 -","2","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0518","0.0425","","","0.0871","0.0907","","","","","","1.026","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134173","14.0151","0.0005","6.2442","0.0002","24.7473","0.0008","90","","101.462","0.004","90","","2122.52","0.13","150","2","150","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C14 H12 S -","- C14 H12 S -","- C112 H96 S8 -","8","2","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0478","0.0397","","","0.0832","0.087","","","","","","1.028","","","","has coordinates,has disorder","248706","2020-10-21","18:00:00",""
"4134174","9.8589","0.0007","7.7089","0.0005","48.243","0.003","90","","90","","90","","3666.5","0.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 F6 -","- C24 H16 F6 -","- C192 H128 F48 -","8","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.1475","0.0879","","","0.1446","0.1673","","","","","","1.11","","","","has coordinates,has disorder","248706","2020-10-21","18:00:00",""
"4134175","10.598","0.0004","11.569","0.0005","14.0558","0.0006","90","","91.353","0.004","90","","1722.88","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O4 -","- C22 H16 N2 O4 -","- C88 H64 N8 O16 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.1072","0.0557","","","0.0943","0.1125","","","","","","1.007","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134176","5.9688","0.0003","9.4191","0.0005","12.889","0.0006","109.12","0.005","92.769","0.004","96.001","0.004","678.27","0.06","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 N4 -","- C18 H14 N4 -","- C36 H28 N8 -","2","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0741","0.0473","","","0.0912","0.1007","","","","","","1.039","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134177","11.54","0.003","23.458","0.005","6.0948","0.0011","90","","92.458","0.018","90","","1648.4","0.6","150","0.14","150","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F3 -","- C23 H17 F3 -","- C92 H68 F12 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.2016","0.1052","","","0.2526","0.3094","","","","","","1.027","","","","has coordinates,has disorder","248706","2020-10-21","18:00:00",""
"4134178","6.0199","0.0005","10.2544","0.0008","13.5415","0.001","77.465","0.006","79.509","0.006","86.865","0.006","802.26","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 F3 N2 -","- C21 H15 F3 N2 -","- C42 H30 F6 N4 -","2","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.1036","0.0587","","","0.0964","0.1117","","","","","","1.049","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134179","14.6017","0.001","10.0834","0.0007","13.3292","0.0008","90","","90.884","0.007","90","","1962.3","0.2","149.9","0.2","149.9","0.2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C28 H22 -","- C28 H22 -","- C112 H88 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0885","0.0554","","","0.0967","0.1102","","","","","","1.017","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134180","12.0859","0.0008","14.622","0.0008","11.3077","0.0007","90","","90","","90","","1998.3","0.2","150.1","0.2","150.1","0.2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 -","- C13 H12 N2 -","- C104 H96 N16 -","8","2","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0753","0.0525","","","0.0929","0.1027","","","","","","1.031","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134181","5.9975","0.0003","10.0967","0.0005","13.1405","0.0008","108.776","0.005","90.715","0.005","96.917","0.004","746.78","0.07","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","","","- C22 H18 -","- C22 H18 -","- C44 H36 -","2","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0547","0.0445","","","0.1004","0.1066","","","","","","1.04","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134182","10.8015","0.0002","17.679","0.0003","19.6851","0.0014","90","","90","","90","","3759.1","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H34 Au Cl O5 P2 -","- C41 H34 Au Cl O5 P2 -","- C164 H136 Au4 Cl4 O20 P8 -","4","1","","Zhang, Zhenhao; Smal, Vitalii; Retailleau, Pascal; Voituriez, Arnaud; Frison, Gilles; Marinetti, Angela; Guinchard, Xavier","Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis.","Journal of the American Chemical Society","2020","142","8","3797","3805","10.1021/jacs.9b11154","","","1.54187","CuKα","","0.0386","0.0362","","","0.0839","0.0869","","","","","","1.082","","","","has coordinates","248702","2020-10-21","18:00:00",""
"4134183","11.26267","0.00018","19.0781","0.0004","31.7278","0.0006","90","","90","","90","","6817.4","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H25 Au Cl2 O3 P2 -","- C38 H25 Au Cl2 O3 P2 -","- C304 H200 Au8 Cl16 O24 P16 -","8","2","","Zhang, Zhenhao; Smal, Vitalii; Retailleau, Pascal; Voituriez, Arnaud; Frison, Gilles; Marinetti, Angela; Guinchard, Xavier","Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis.","Journal of the American Chemical Society","2020","142","8","3797","3805","10.1021/jacs.9b11154","","x-ray","0.71073","MoKα","","0.0661","0.0437","","","0.0874","0.0927","","","","","","1.045","","","","has coordinates","248702","2020-10-21","18:00:00",""
"4134184","6.6896","0.0003","8.6995","0.0003","28.863","0.002","90","","90","","90","","1679.72","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Zhang, Zhenhao; Smal, Vitalii; Retailleau, Pascal; Voituriez, Arnaud; Frison, Gilles; Marinetti, Angela; Guinchard, Xavier","Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis.","Journal of the American Chemical Society","2020","142","8","3797","3805","10.1021/jacs.9b11154","","","1.54187","CuKα","","0.0326","0.0297","","","0.0747","0.0789","","","","","","1.075","","","","has coordinates","248702","2020-10-21","18:00:00",""
"4134185","8.2617","0.0002","10.119","0.0003","19.4887","0.0005","90","","90","","90","","1629.26","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","1.54184","CuKα","","0.0404","0.0372","","","0.0967","0.1003","","","","","","1.026","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134186","10.8561","0.0001","10.8561","0.0001","41.1767","0.0006","90","","90","","90","","4852.88","0.09","179.99","0.1","179.99","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C25 H36 O6 Si -","- C25 H36 O6 Si -","- C200 H288 O48 Si8 -","8","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0359","0.0334","","","0.0873","0.0888","","","","","","1.017","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134187","10.2109","0.0002","13.271","0.0002","14.7561","0.0002","90","","90","","90","","1999.58","0.06","180","0.2","180","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 Br O5 -","- C22 H27 Br O5 -","- C88 H108 Br4 O20 -","4","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0294","0.0266","","","0.0682","0.0696","","","","","","1.05","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134188","13.6338","0.0005","11.3956","0.0003","16.6242","0.0005","90","","110.443","0.004","90","","2420.16","0.15","180","0.1","180","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 O9 -","- C26 H38 O9 -","- C104 H152 O36 -","4","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0608","0.045","","","0.1075","0.114","","","","","","1.041","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134189","7.2201","0.0003","16.362","0.0009","34.0093","0.0018","90","","90","","90","","4017.7","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O5 -","- C22 H28 O5 -","- C176 H224 O40 -","8","2","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","1.54184","CuKα","","0.072","0.0421","","","0.0857","0.093","","","","","","1.052","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134190","7.0005","0.0003","7.3078","0.0003","10.9418","0.0003","71.334","0.003","87.561","0.003","84.38","0.003","527.73","0.04","179.99","0.1","179.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C23 H37 N O5 -","- C23 H37 N O5 -","- C23 H37 N O5 -","1","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0308","0.0291","","","0.0806","0.0823","","","","","","1.056","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134191","14.1237","0.0003","12.3532","0.0003","20.8073","0.0004","90","","90","","90","","3630.31","0.14","180","0.1","180","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H28 O5 -","- C22 H28 O5 -","- C176 H224 O40 -","8","2","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","1.54184","CuKα","","0.0481","0.0417","","","0.1121","0.1188","","","","","","1.029","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134192","13.5823","0.0002","10.5419","0.0002","19.9707","0.0003","90","","91.607","0.002","90","","2858.35","0.08","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 O5 Si2 -","- C28 H44 O5 Si2 -","- C112 H176 O20 Si8 -","4","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0458","0.0383","","","0.1015","0.1058","","","","","","1.015","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134193","12.7153","0.0003","8.016","0.0002","14.8477","0.0004","90","","105.261","0.002","90","","1460","0.07","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H18 Br2 O3 -","- C14 H18 Br2 O3 -","- C56 H72 Br8 O12 -","4","2","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.042","0.0362","","","0.0774","0.0793","","","","","","1.015","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134194","8.4588","0.0011","14.545","0.002","20.429","0.003","90","","90","","90","","2513.4","0.6","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N O2 S -","- C30 H27 N O2 S -","- C120 H108 N4 O8 S4 -","4","1","","Kondoh, Azusa; Ishikawa, Sho; Terada, Masahiro","Development of Chiral Ureates as Chiral Strong Brønsted Base Catalysts.","Journal of the American Chemical Society","2020","142","8","3724","3728","10.1021/jacs.9b13922","","","0.71075","MoKα","","0.0492","0.0405","","","0.0918","0.0967","","","","","","1.046","","","","has coordinates","248707","2020-10-21","18:00:00",""
"4134195","8.6108","0.0009","16.6846","0.0017","17.8727","0.0019","90","","90","","90","","2567.7","0.5","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O3 S -","- C27 H30 N2 O3 S -","- C108 H120 N8 O12 S4 -","4","1","","Kondoh, Azusa; Ishikawa, Sho; Terada, Masahiro","Development of Chiral Ureates as Chiral Strong Brønsted Base Catalysts.","Journal of the American Chemical Society","2020","142","8","3724","3728","10.1021/jacs.9b13922","","","0.71075","MoKα","","0.0449","0.0388","","","0.0886","0.0914","","","","","","1.07","","","","has coordinates","248707","2020-10-21","18:00:00",""
"4134196","8.4797","0.0014","9.7632","0.0017","13.361","0.002","90","","101.819","0.007","90","","1082.7","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 N O5 S2 -","- C23 H23 N O5 S2 -","- C46 H46 N2 O10 S4 -","2","1","","Kondoh, Azusa; Ishikawa, Sho; Terada, Masahiro","Development of Chiral Ureates as Chiral Strong Brønsted Base Catalysts.","Journal of the American Chemical Society","2020","142","8","3724","3728","10.1021/jacs.9b13922","","","0.71075","MoKα","","0.0431","0.0421","","","0.1074","0.1084","","","","","","1.034","","","","has coordinates","248707","2020-10-21","18:00:00",""
"4134197","11.04683","0.00014","9.43212","0.00012","16.266","0.0002","90","","96.9247","0.0012","90","","1682.47","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H45 N O9 -","- C37 H45 N O9 -","- C74 H90 N2 O18 -","2","1","","Mayfield, Andrew B.; Metternich, Jan B.; Trotta, Adam H.; Jacobsen, Eric N.","Stereospecific Furanosylations Catalyzed by Bis-thiourea Hydrogen-Bond Donors.","Journal of the American Chemical Society","2020","142","8","4061","4069","10.1021/jacs.0c00335","","","1.54178","CuKα","","0.0352","0.0341","","","0.0905","0.0913","","","","","","1.069","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4134198","52.0158","0.0016","8.9727","0.0003","8.9745","0.0003","90","","90","","90","","4188.6","0.2","298","2","298.01","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C48 H160 I40 N16 Pb12 -","4","0.5","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","","0.71073","MoKα","","0.0599","0.0444","","","0.1257","0.1425","","","","","","1.077","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134199","52.169","0.006","8.9731","0.0006","8.9417","0.0011","90","","90.073","0.009","90","","4185.8","0.8","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C48 H160 I40 N16 Pb12 -","4","1","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","x-ray","0.71073","MoKα","","0.0851","0.0778","","","0.087","0.0872","","","","4.89","4.89","4.59","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134200","52.424","0.01","8.9841","0.0018","8.9429","0.0018","90","","90.15","0.03","90","","4211.9","1.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H36 I10 N4 Pb3 -","- C10 H36 I10 N4 Pb3 -","- C40 H144 I40 N16 Pb12 -","4","1","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","","0.71073","MoKα","","0.1587","0.0862","","","0.227","0.3164","","","","","","0.993","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134201","52.209","0.006","8.9061","0.0006","8.94","0.0011","90","","90.002","0.009","90","","4156.9","0.8","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H36 I10 N4 Pb3 -","- C10 H36 I10 N4 Pb3 -","- C40 H144 I40 N16 Pb12 -","4","1","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","x-ray","0.71073","MoKα","","0.1597","0.1086","","","0.1095","0.1127","","","","5.38","5.38","4.78","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134202","9.4761","0.0005","25.927","0.0009","25.4632","0.0009","90","","97.891","0.004","90","","6196.7","0.5","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C68 H14 Cl4 Cu2 F30 N6 O2 -","- C68 H14 Cl4 Cu2 F30 N6 O2 -","- C272 H56 Cl16 Cu8 F120 N24 O8 -","4","0.5","","Shimomura, Keito; Kai, Hiroto; Nakamura, Yuma; Hong, Yongseok; Mori, Shigeki; Miki, Koji; Ohe, Kouichi; Notsuka, Yusuke; Yamaoka, Yoshihisa; Ishida, Masatoshi; Kim, Dongho; Furuta, Hiroyuki","Bis-Metal Complexes of Doubly N-Confused Dioxohexaphyrins as Potential Near Infrared-II Photoacoustic Dyes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13475","","","0.71075","MoKα","","0.1302","0.0986","","","0.2325","0.2485","","","","","","1.157","","","","has coordinates,has disorder","248294","2020-10-21","18:00:00",""
"4134203","25.2251","0.0014","25.2251","0.0014","32.2322","0.001","90","","90","","90","","20509.5","1.7","100","2","100","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C88 H85 F20 N10 O6.5 Si2 -","- C88 H85 F20 N10 O6.5 Si2 -","- C704 H680 F160 N80 O52 Si16 -","8","0.5","","Shimomura, Keito; Kai, Hiroto; Nakamura, Yuma; Hong, Yongseok; Mori, Shigeki; Miki, Koji; Ohe, Kouichi; Notsuka, Yusuke; Yamaoka, Yoshihisa; Ishida, Masatoshi; Kim, Dongho; Furuta, Hiroyuki","Bis-Metal Complexes of Doubly N-Confused Dioxohexaphyrins as Potential Near Infrared-II Photoacoustic Dyes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13475","","","1.54187","CuKα","","0.1151","0.0922","","","0.2069","0.2173","","","","","","1.227","","","","has coordinates,has disorder","248295","2020-10-21","18:00:00",""
"4134204","7.8292","0.0003","11.0341","0.0004","12.7149","0.0006","90","","100.843","0.001","90","","1078.81","0.08","109","2","109","2","","","","","","","","5","P 1 21 1","P 2yb","4","ARM-PS017","","","- C26 H24 B K O2 -","- C26 H24 B K O2 -","- C52 H48 B2 K2 O4 -","2","1","","Music, Arif; Baumann, Andreas Nicolas; Spie Szlig, Philipp; Plantefol, Allan; Jagau, Thomas-C; Didier, Dorian","Electrochemical Synthesis of Biaryls via Oxidative Intramolecular Coupling of Tetra(hetero)arylborates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12300","","","0.71073","MoKα","","0.0366","0.0312","","","0.0714","0.0746","","","","","","1.04","","","","has coordinates","248325","2020-10-21","18:00:00",""
"4134205","9.8924","0.0004","10.0377","0.0004","11.5787","0.0004","82.567","0.001","81.296","0.001","88.212","0.001","1126.86","0.07","102","2","102","2","","","","","","","","6","P -1","-P 1","2","ARM518","","","- C26 H21.56 B F3 K O1.28 -","- C26 H21 B F3 K O1.282 -","- C52 H42 B2 F6 K2 O2.564 -","2","1","","Music, Arif; Baumann, Andreas Nicolas; Spie Szlig, Philipp; Plantefol, Allan; Jagau, Thomas-C; Didier, Dorian","Electrochemical Synthesis of Biaryls via Oxidative Intramolecular Coupling of Tetra(hetero)arylborates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12300","","","0.71073","MoKα","","0.0661","0.0566","","","0.1425","0.1499","","","","","","1.054","","","","has coordinates","248326","2020-10-21","18:00:00",""
"4134206","58.143","0.002","11.9245","0.0005","15.4738","0.0007","90","","102.308","0.003","90","","10481.8","0.7","100","2","100.02","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H47.67 B3 F12 N6 O1.33 -","- C48 H47.6666 B3 F12 N6 O1.3333 -","- C384 H381.333 B24 F96 N48 O10.6664 -","8","1","","Guo, Qing-Hui; Jia, Manping; Liu, Zhichang; Qiu, Yunyan; Chen, Hongliang; Shen, Dengke; Zhang, Xuan; Tu, Qing; Ryder, Matthew R.; Chen, Haoyuan; Li, Peng; Xu, Yaobin; Li, Penghao; Chen, Zhijie; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Snurr, Randall Q.; Philp, Douglas; Sue, Andrew C.-H.; Farha, Omar K.; Rolandi, Marco; Stoddart, J. Fraser","Single-Crystal Polycationic Polymers Obtained by Single-Crystal-to-Single-Crystal Photopolymerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13790","","","1.54178","CuKα","","0.119","0.1079","","","0.2933","0.3034","","","","","","1.073","","","","has coordinates,has disorder","248327","2020-10-21","18:00:00",""
"4134207","57.8973","0.0016","11.8809","0.0003","15.7534","0.0004","90","","103.731","0.002","90","","10526.6","0.5","100","2","100.04","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H90 B6 F24 N12 O3 -","- C96 H90 B6 F24 N12 O3 -","- C384 H360 B24 F96 N48 O12 -","4","0.5","","Guo, Qing-Hui; Jia, Manping; Liu, Zhichang; Qiu, Yunyan; Chen, Hongliang; Shen, Dengke; Zhang, Xuan; Tu, Qing; Ryder, Matthew R.; Chen, Haoyuan; Li, Peng; Xu, Yaobin; Li, Penghao; Chen, Zhijie; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Snurr, Randall Q.; Philp, Douglas; Sue, Andrew C.-H.; Farha, Omar K.; Rolandi, Marco; Stoddart, J. Fraser","Single-Crystal Polycationic Polymers Obtained by Single-Crystal-to-Single-Crystal Photopolymerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13790","","x-ray","1.54178","CuKα","","0.165","0.1469","","","0.4258","0.4541","","","","","","1.96","","","","has coordinates,has disorder","248328","2020-10-21","18:00:00",""
"4134208","57.282","0.007","11.7334","0.0015","16.2714","0.0018","90","","104.674","0.007","90","","10580","2","102","2","101.93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H45 B3 F12 N6 O -","- C48 H45 B3 F12 N6 O -","- C384 H360 B24 F96 N48 O8 -","8","1","","Guo, Qing-Hui; Jia, Manping; Liu, Zhichang; Qiu, Yunyan; Chen, Hongliang; Shen, Dengke; Zhang, Xuan; Tu, Qing; Ryder, Matthew R.; Chen, Haoyuan; Li, Peng; Xu, Yaobin; Li, Penghao; Chen, Zhijie; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Snurr, Randall Q.; Philp, Douglas; Sue, Andrew C.-H.; Farha, Omar K.; Rolandi, Marco; Stoddart, J. Fraser","Single-Crystal Polycationic Polymers Obtained by Single-Crystal-to-Single-Crystal Photopolymerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13790","","","1.54178","CuKα","","0.1973","0.1698","","","0.4544","0.4877","","","","","","2.123","","","","has coordinates,has disorder","248329","2020-10-21","18:00:00",""
"4134209","8.518","0.0001","11.7992","0.0003","25.2433","0.0005","90","","92.423","0.001","90","","2534.82","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 N2 Ti -","- C33 H30 N2 Ti -","- C132 H120 N8 Ti4 -","4","1","","Pearce, Adam J.; Harkins, Robin P.; Reiner, Benjamin R.; Wotal, Alexander C.; Dunscomb, Rachel J.; Tonks, Ian A.","Multicomponent Pyrazole Synthesis from Alkynes, Nitriles, and Ti Imidos via Oxidatively Induced N-N Bond Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13173","","","0.71073","MoKα","","0.0803","0.0512","","","0.11","0.1233","","","","","","1.019","","","","has coordinates","248330","2020-10-21","18:00:00",""
"4134210","9.2324","0.0008","9.9661","0.0008","13.0708","0.0011","100.435","0.003","100.308","0.004","93.958","0.004","1157.27","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","19002","","","- C26 H23 Cl2 N2 Ti -","- C26 H23 Cl2 N2 Ti -","- C52 H46 Cl4 N4 Ti2 -","2","1","","Pearce, Adam J.; Harkins, Robin P.; Reiner, Benjamin R.; Wotal, Alexander C.; Dunscomb, Rachel J.; Tonks, Ian A.","Multicomponent Pyrazole Synthesis from Alkynes, Nitriles, and Ti Imidos via Oxidatively Induced N-N Bond Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13173","","","0.71073","MoKα","","0.0976","0.057","","","0.1363","0.1679","","","","","","1.075","","","","has coordinates","248331","2020-10-21","18:00:00",""
"4134211","10.952","0.004","16.038","0.005","15.834","0.006","90","","105.03","0.02","90","","2686.1","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 Cl2 N4 Ti -","- C29 H30 Cl2 N4 Ti -","- C116 H120 Cl8 N16 Ti4 -","4","1","","Pearce, Adam J.; Harkins, Robin P.; Reiner, Benjamin R.; Wotal, Alexander C.; Dunscomb, Rachel J.; Tonks, Ian A.","Multicomponent Pyrazole Synthesis from Alkynes, Nitriles, and Ti Imidos via Oxidatively Induced N-N Bond Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13173","","","0.71073","MoKα","","0.0729","0.0513","","","0.126","0.1391","","","","","","1.093","","","","has coordinates","248332","2020-10-21","18:00:00",""
"4134212","19.9721","0.0006","20.562","0.0006","15.0039","0.0004","90","","97.505","0.001","90","","6108.8","0.3","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Cl2 N2 O0.5 Ti -","- C35 H35 Cl2 N2 O0.5 Ti -","- C280 H280 Cl16 N16 O4 Ti8 -","8","2","","Pearce, Adam J.; Harkins, Robin P.; Reiner, Benjamin R.; Wotal, Alexander C.; Dunscomb, Rachel J.; Tonks, Ian A.","Multicomponent Pyrazole Synthesis from Alkynes, Nitriles, and Ti Imidos via Oxidatively Induced N-N Bond Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13173","","","0.71073","MoKα","","0.1085","0.0636","","","0.1317","0.1516","","","","","","1.02","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4134213","15.6951","0.0006","12.0965","0.0005","20.2737","0.0009","90","","109.224","0.001","90","","3634.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 Cl2 N4 Ti -","- C40 H46 Cl2 N4 Ti -","- C160 H184 Cl8 N16 Ti4 -","4","0.5","","Pearce, Adam J.; Harkins, Robin P.; Reiner, Benjamin R.; Wotal, Alexander C.; Dunscomb, Rachel J.; Tonks, Ian A.","Multicomponent Pyrazole Synthesis from Alkynes, Nitriles, and Ti Imidos via Oxidatively Induced N-N Bond Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13173","","","0.71073","MoKα","","0.0601","0.0387","","","0.0927","0.1053","","","","","","1.076","","","","has coordinates","248334","2020-10-21","18:00:00",""
"4134214","17.105","0.001","9.706","0.0005","15.0812","0.0008","90","","106.174","0.002","90","","2404.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Cl2 N3 Ti -","- C25 H27 Cl2 N3 Ti -","- C100 H108 Cl8 N12 Ti4 -","4","1","","Pearce, Adam J.; Harkins, Robin P.; Reiner, Benjamin R.; Wotal, Alexander C.; Dunscomb, Rachel J.; Tonks, Ian A.","Multicomponent Pyrazole Synthesis from Alkynes, Nitriles, and Ti Imidos via Oxidatively Induced N-N Bond Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13173","","","0.71073","MoKα","","0.078","0.0407","","","0.0903","0.1118","","","","","","1.057","","","","has coordinates","248335","2020-10-21","18:00:00",""
"4134215","9.2825","0.0004","11.7953","0.0005","14.3737","0.0005","86.209","0.001","82.03","0.001","70.43","0.001","1468.21","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cl2 N4 Ti -","- C33 H30 Cl2 N4 Ti -","- C66 H60 Cl4 N8 Ti2 -","2","1","","Pearce, Adam J.; Harkins, Robin P.; Reiner, Benjamin R.; Wotal, Alexander C.; Dunscomb, Rachel J.; Tonks, Ian A.","Multicomponent Pyrazole Synthesis from Alkynes, Nitriles, and Ti Imidos via Oxidatively Induced N-N Bond Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13173","","","0.71073","MoKα","","0.0487","0.0376","","","0.0892","0.0954","","","","","","1.055","","","","has coordinates,has disorder","248336","2020-10-21","18:00:00",""
"4134216","19.1089","0.001","23.798","0.002","10.2583","0.0009","90","","97.357","0.006","90","","4626.6","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H71 Fe Gd N2 O -","- C49 H71 Fe Gd N2 O -","- C196 H284 Fe4 Gd4 N8 O4 -","4","0.5","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","","0.71073","MoKα","","0.1163","0.0759","","","0.1466","0.1687","","","","","","1.082","","","","has coordinates,has disorder","248337","2020-10-21","18:00:00",""
"4134217","25.4275","0.0018","20.3332","0.0004","15.0048","0.0011","90","","142.261","0.015","90","","4748.3","1.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Fe N4 O2 -","- C23 H29 Fe N4 O2 -","- C184 H232 Fe8 N32 O16 -","8","2","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","x-ray","1.54184","CuKα","","0.053","0.0403","","","0.0944","0.1009","","","","","","1.012","","","","has coordinates","248338","2020-10-21","18:00:00",""
"4134218","8.6617","0.0001","21.2088","0.0001","22.7976","0.0001","90","","90","","90","","4188.02","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H59 Fe N4 O2 Y -","- C43 H59 Fe N4 O2 Y -","- C172 H236 Fe4 N16 O8 Y4 -","4","1","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","","1.54184","CuKα","","0.0269","0.026","","","0.0669","0.0677","","","","","","0.998","","","","has coordinates,has disorder","248339","2020-10-21","18:00:00",""
"4134219","14.1543","0.0008","19.3278","0.0008","21.0046","0.0009","100.68","0.004","109.484","0.005","92.982","0.004","5283","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H71 Fe N4 O2 Y -","- C49 H71 Fe N4 O2 Y -","- C196 H284 Fe4 N16 O8 Y4 -","4","2","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","","1.54184","CuKα","","0.0887","0.0594","","","0.1248","0.1449","","","","","","0.956","","","","has coordinates","248340","2020-10-21","18:00:00",""
"4134220","14.174","0.0003","19.2468","0.0004","20.88","0.0004","100.408","0.002","109.137","0.002","93.002","0.002","5254.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H166 Fe2 Gd2 N8 O4 -","- C108 H166 Fe2 Gd2 N8 O4 -","- C216 H332 Fe4 Gd4 N16 O8 -","2","1","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","x-ray","1.54184","CuKα","","0.0411","0.034","","","0.0821","0.0869","","","","","","1.011","","","","has coordinates,has disorder","248341","2020-10-21","18:00:00",""
"4134221","8.6849","0.0002","21.2561","0.0003","22.8285","0.0004","90","","90","","90","","4214.3","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H59 Fe Gd N4 O2 -","- C43 H59 Fe Gd N4 O2 -","- C172 H236 Fe4 Gd4 N16 O8 -","4","1","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","","1.54184","CuKα","","0.0427","0.0381","","","0.1151","0.1216","","","","","","0.932","","","","has coordinates,has disorder","248342","2020-10-21","18:00:00",""
"4134222","11.5668","0.0005","12.4022","0.0005","15.009","0.0008","100.604","0.004","111.178","0.004","91.002","0.004","1965.1","0.17","150","0.3","150","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C39 H65 Fe N5 O2 -","- C39 H65 Fe N5 O2 -","- C78 H130 Fe2 N10 O4 -","2","1","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","x-ray","0.71073","MoKα","","0.0712","0.0571","","","0.1471","0.1618","","","","","","1.043","","","","has coordinates","248343","2020-10-21","18:00:00",""
"4134223","19.139","0.0011","23.753","0.003","10.224","0.0007","90","","97.911","0.007","90","","4603.7","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H71 Fe N2 O Y -","- C49 H71 Fe N2 O Y -","- C196 H284 Fe4 N8 O4 Y4 -","4","0.5","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","","0.71073","MoKα","","0.1713","0.0877","","","0.17","0.2189","","","","","","1","","","","has coordinates,has disorder","248344","2020-10-21","18:00:00",""
"4134224","13.594","0.003","22.789","0.005","23.453","0.005","90","","95.29","0.03","90","","7235","3","113.15","","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H96 B2 Mg N4 O3 Si2 -","- C64 H96 B2 Mg N4 O3 Si2 -","- C256 H384 B8 Mg4 N16 O12 Si8 -","4","1","","Tian, Miao; Zhang, Jianying; Yang, Hao; Cui, Chunming","Isolation of a 1-Magnesium-2,3-Disilacyclopropene and a Related Bis(disilenide).","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00519","","","0.71073","MoKα","","0.1469","0.0829","","","0.206","0.2412","","","","","","0.998","","","","has coordinates","248345","2020-10-21","18:00:00",""
"4134225","8.945","0.0006","16.8606","0.0011","17.7667","0.0013","74.859","0.006","82.66","0.006","83.509","0.006","2556.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H53 Cl2 N5 O7 -","- C58 H53 Cl2 N5 O7 -","- C116 H106 Cl4 N10 O14 -","2","1","","Sierra, Andrés F; Hernández-Alonso, Daniel; Romero, Miguel Angel; Gonzalez Delgado, Jose Antonio; Pischel, Uwe; Ballester, Pablo","Optical Supramolecular Sensing of Creatinine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12071","","","0.71075","MoKα","","0.0828","0.0638","","","0.1681","0.1779","","","","","","1.019","","","","has coordinates,has disorder","248378","2020-10-21","18:00:00",""
"4134226","26.754","0.003","26.05","0.003","31.756","0.003","90","","90","","90","","22132","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C124.15 H103.5 Cl8.3 N10 O14 P2 -","- C124.15 H103.5 Cl8.3 N10 O14 P2 -","- C993.2 H828 Cl66.4 N80 O112 P16 -","8","1","","Sierra, Andrés F; Hernández-Alonso, Daniel; Romero, Miguel Angel; Gonzalez Delgado, Jose Antonio; Pischel, Uwe; Ballester, Pablo","Optical Supramolecular Sensing of Creatinine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12071","","","0.71073","MoKα","","0.1286","0.0769","","","0.199","0.2227","","","","","","1.358","","","","has coordinates,has disorder","248379","2020-10-21","18:00:00",""
"4134227","13.2795","0.0002","15.0499","0.0004","18.2901","0.0004","66.029","0.002","72.0312","0.0017","85.1829","0.0017","3173.59","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35.25 H35 N2.5 O4.75 P0.5 -","- C35.25 H35 N2.5 O4.75 P0.5 -","- C141 H140 N10 O19 P2 -","4","2","","Sierra, Andrés F; Hernández-Alonso, Daniel; Romero, Miguel Angel; Gonzalez Delgado, Jose Antonio; Pischel, Uwe; Ballester, Pablo","Optical Supramolecular Sensing of Creatinine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12071","","","0.71075","MoKα","","0.1477","0.076","","","0.2008","0.2324","","","","","","0.982","","","","has coordinates,has disorder","248380","2020-10-21","18:00:00",""
"4134228","13.856","0.0011","5.5729","0.0003","13.5129","0.0009","90","","103.236","0.008","90","","1015.72","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 N3 O -","- C9 H17 N3 O -","- C36 H68 N12 O4 -","4","1","","Sierra, Andrés F; Hernández-Alonso, Daniel; Romero, Miguel Angel; Gonzalez Delgado, Jose Antonio; Pischel, Uwe; Ballester, Pablo","Optical Supramolecular Sensing of Creatinine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12071","","","0.71075","MoKα","","0.1151","0.0913","","","0.2387","0.2586","","","","","","1.066","","","","has coordinates","248381","2020-10-21","18:00:00",""
"4134229","34.4289","0.0007","27.4149","0.0006","23.4214","0.0004","90","","90","","90","","22106.6","0.8","150","2","150","2","","","","","","","","4","P n n a","-P 2a 2bc","52","JU907_150K","","","- C246 H215 Cl O7 -","- C246 H215 Cl O7 -","- C984 H860 Cl4 O28 -","4","0.5","","Urieta-Mora, Javier; Krug, Marcel; Alex, Wiebke; Perles, Josefina; Fernandez, Israel; Molina-Ontoria, Agustín; Guldi, Dirk M.; Martín, Nazario","Homo and Hetero Molecular 3D Nanographenes Employing a Cyclooctatetraene Scaffold.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10203","","","0.71073","Mokα","","0.2303","0.1848","","","0.5029","0.5767","","","","","","1.363","","","","has coordinates,has disorder","248382","2020-10-21","18:00:00",""
"4134230","17.961","0.003","22.993","0.004","30.67","0.005","75.795","0.005","89.774","0.005","76.438","0.005","11917","3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","JU833_placa_200K","","","- C114 H93.75 Cl O3.25 S2 -","- C114 H93.75 Cl O3.25 S2 -","- C456 H375 Cl4 O13 S8 -","4","2","","Urieta-Mora, Javier; Krug, Marcel; Alex, Wiebke; Perles, Josefina; Fernandez, Israel; Molina-Ontoria, Agustín; Guldi, Dirk M.; Martín, Nazario","Homo and Hetero Molecular 3D Nanographenes Employing a Cyclooctatetraene Scaffold.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10203","","","0.71073","MoKα","","0.3352","0.21","","","0.5065","0.5887","","","","","","1.278","","","","has coordinates,has disorder","248382","2020-10-21","18:00:00",""
"4134231","14.4011","0.0008","27.7525","0.0014","31.779","0.0015","88.123","0.002","80.967","0.003","75.619","0.003","12150.2","1.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","JU833_poly_170K","","","- C218.25 H54 Cl5 O1.75 S4 -","- C218.25 H54 Cl5 O1.75 S4 -","- C436.5 H108 Cl10 O3.5 S8 -","2","1","","Urieta-Mora, Javier; Krug, Marcel; Alex, Wiebke; Perles, Josefina; Fernandez, Israel; Molina-Ontoria, Agustín; Guldi, Dirk M.; Martín, Nazario","Homo and Hetero Molecular 3D Nanographenes Employing a Cyclooctatetraene Scaffold.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10203","","","0.71073","MoKα","","0.4001","0.2549","","","0.5918","0.6502","","","","","","1.761","","","","has coordinates","248382","2020-10-21","18:00:00",""
"4134232","20.3136","0.0016","23.489","0.002","27.759","0.003","93.006","0.005","96.297","0.005","104.808","0.005","12683","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","JU833_150K","","","- C108.88 H67.5 Cl0.5 O0.75 -","- C108.875 H67.5 Cl0.5 O0.75 -","- C435.5 H270 Cl2 O3 -","4","2","","Urieta-Mora, Javier; Krug, Marcel; Alex, Wiebke; Perles, Josefina; Fernandez, Israel; Molina-Ontoria, Agustín; Guldi, Dirk M.; Martín, Nazario","Homo and Hetero Molecular 3D Nanographenes Employing a Cyclooctatetraene Scaffold.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10203","","","0.71073","MoKα","","0.411","0.2896","","","0.6505","0.7188","","","","","","1.76","","","","has coordinates","248382","2020-10-21","18:00:00",""
"4134233","13.4608","0.0002","29.8404","0.0005","17.2593","0.0003","90","","103.92","0.0017","90","","6729","0.2","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H38 Br Mn N4 O3 -","- C35 H38 Br Mn N4 O3 -","- C280 H304 Br8 Mn8 N32 O24 -","8","2","","Rønne, Magnus Haugaard H; Cho, Dasol; Madsen, Monica R.; Jakobsen, Joakim B.; Eom, Seunghwan; Escoudé, Émile; Hammershøj, Hans Christian D; Nielsen, Dennis U.; Pedersen, Steen U.; Baik, Mu-Hyun; Skrydstrup, Troels; Daasbjerg, Kim","Ligand Controlled Product Selectivity in the Electrochemical Carbon Dioxide Reduction Using Manganese Bipyridine Catalysts.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11806","","x-ray","0.71073","MoKα","","0.077","0.0603","","","0.1631","0.1758","","","","","","1.054","","","","has coordinates","248421","2020-10-21","18:00:00",""
"4134234","77.656","0.016","32.255","0.007","64.599","0.013","90","","118.26","0.03","90","","142521","7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C492 H1340 Br6 Gd102 N60 Ni36 O832 S54 -","- C432 H695 Br6 Gd102 N54 Ni36 O624 S54 -","- C1728 H2780 Br24 Gd408 N216 Ni144 O2496 S216 -","4","0.5","","Chen, Wei-Peng; Liao, Pei-Qin; Jin, Peng-Bo; Zhang, Lei; Ling, Bo-Kai; Wang, Shi-Cheng; Chan, Yi-Tsu; Chen, Xiao-Ming; Zheng, Yan-Zhen","The Gigantic {Ni<sub>36</sub>Gd<sub>102</sub>} Hexagon: A Sulfate-Templated ""Star-of-David"" for Photocatalytic CO<sub>2</sub> Reduction and Magnetic Cooling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11543","","","0.8265","synchrotron","","0.2127","0.1258","","","0.2789","0.3145","","","","","","1.076","","","","has coordinates","248422","2020-10-21","18:00:00",""
"4134235","9.8221","0.0004","9.8415","0.0004","11.7712","0.0004","78.958","0.006","87.087","0.006","69.349","0.005","1044.86","0.08","296","","296","","","","","","","","","3","P 1","P 1","1","","","","- C31 H27 Br -","- C29 H22 Br -","- C58 H44 Br2 -","2","2","","Takano, Hideaki; Shiozawa, Natsumi; Imai, Yoshitane; Kanyiva, Kyalo Stephen; Shibata, Takanori","Catalytic Enantioselective Synthesis of Axially Chiral Polycyclic Aromatic Hydrocarbons (PAHs) via Regioselective C-C Bond Activation of Biphenylenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12205","","","1.54187","CuKα","","0.0529","0.0513","","","0.137","0.138","","","","","","1.058","","","","has coordinates","248434","2020-10-21","18:00:00",""
"4134236","20.808475","","11.960014","","19.896179","","90","","120.03","","90","","4286.88","","","","","","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C4.091 H377.543 Br3.463 O31.68 Zr5.94 -","- C7.32 H376 Br3.48 O31.68 Zr5.94 -","- C7.32 H376 Br3.48 O31.68 Zr5.94 -","1","0.25","","Lyu, Jiafei; Gong, Xinyi; Lee, Seung-Joon; Gnanasekaran, Karthikeyan; Zhang, Xuan; Wasson, Megan C.; Wang, Xingjie; Bai, Peng; Guo, Xianghai; Gianneschi, Nathan C.; Farha, Omar K.","Phase Transitions in Metal-Organic Frameworks Directly Monitored through In Situ Variable Temperature Liquid-Cell Transmission Electron Microscopy and In Situ X-ray Diffraction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00542","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","248435","2020-10-21","18:00:00",""
"4134237","9.358","0.002","10.445","0.003","12.247","0.003","101.79","0.006","108.779","0.006","110.077","0.005","995.5","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 Cl F3 N O2 -","- C21 H20 Cl F3 N O2 -","- C42 H40 Cl2 F6 N2 O4 -","2","1","","Deng, Tianning; Mazumdar, Wrickban; Ford, Russell; Jana, Navendu; Izar, Ragda; Wink, Donald J.; Driver, Tom G.","Oxidation of Non-Activated Anilines to Generate N-Aryl Nitrenoids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13599","","","0.71073","MoKα","","0.1248","0.0715","","","0.1767","0.1955","","","","","","1.186","","","","has coordinates","248436","2020-10-21","18:00:00",""
"4134238","31.023","0.007","31.023","0.007","7.2503","0.0014","90","","90","","120","","6043","2","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C18 H17 N -","- C18 H17 N -","- C324 H306 N18 -","18","1","","Deng, Tianning; Mazumdar, Wrickban; Ford, Russell; Jana, Navendu; Izar, Ragda; Wink, Donald J.; Driver, Tom G.","Oxidation of Non-Activated Anilines to Generate N-Aryl Nitrenoids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13599","","","0.71073","MoKα","","0.0864","0.0524","","","0.1272","0.1443","","","","","","0.952","","","","has coordinates","248437","2020-10-21","18:00:00",""
"4134239","10.0206","0.0014","13.4853","0.0018","12.9729","0.0018","90","","96","0.003","90","","1743.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 F3 N O2 -","- C20 H18 F3 N O2 -","- C80 H72 F12 N4 O8 -","4","1","","Deng, Tianning; Mazumdar, Wrickban; Ford, Russell; Jana, Navendu; Izar, Ragda; Wink, Donald J.; Driver, Tom G.","Oxidation of Non-Activated Anilines to Generate N-Aryl Nitrenoids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13599","","","0.71073","MoKα","","0.2101","0.1026","","","0.2154","0.2533","","","","","","1.262","","","","has coordinates,has disorder","248438","2020-10-21","18:00:00",""
"4134240","14.1391","0.0003","15.2551","0.0004","15.3506","0.0003","78.101","0.002","71.786","0.002","84.391","0.002","3075.57","0.13","105.4","0.5","105.4","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C78 H84 Cl2 -","- C78 H84 Cl2 -","- C156 H168 Cl4 -","2","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","1.54184","CuKα","","0.053","0.0478","","","0.1275","0.1323","","","","","","1.042","","","","has coordinates","248446","2020-10-21","18:00:00",""
"4134241","19.8661","0.0003","18.8637","0.0003","24.5531","0.0004","90","","104.684","0.001","90","","8900.7","0.2","109.7","0.5","109.7","0.5","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C42 H34 N4 -","- C42 H34 N4 -","- C336 H272 N32 -","8","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","1.54184","CuKα","","0.0591","0.0508","","","0.1409","0.1471","","","","","","1.036","","","","has coordinates,has disorder","248447","2020-10-21","18:00:00",""
"4134242","25.369","0.006","12.529","0.003","16.684","0.004","90","","95.093","0.004","90","","5282","2","173","2","173.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C62 H84 Cl2 -","- C62 H84 Cl2 -","- C248 H336 Cl8 -","4","0.5","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","","0.71073","MoKα","","0.1021","0.0971","","","0.278","0.2831","","","","","","1.124","","","","has coordinates,has disorder","248448","2020-10-21","18:00:00",""
"4134243","18.12102","0.00008","18.06784","0.00007","12.92384","0.00006","90","","90","","90","","4231.36","0.03","173","0.1","173","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C48 H56 -","- C48 H56 -","- C192 H224 -","4","0.5","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","","1.54184","CuKα","","0.0712","0.0534","","","0.1485","0.1608","","","","","","1.041","","","","has coordinates","248449","2020-10-21","18:00:00",""
"4134244","11.7332","0.0003","12.2075","0.0004","16.3902","0.0005","72.612","0.003","88.798","0.002","61.9","0.003","1956.16","0.12","173","0.1","173","","","","","","","","","2","P -1","-P 1","2","","","","- C48 H60 -","- C48 H56 -","- C96 H112 -","2","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","","1.54184","CuKα","","0.0643","0.0565","","","0.148","0.1562","","","","","","1.042","","","","has coordinates","248450","2020-10-21","18:00:00",""
"4134245","14.5216","0.0003","15.2767","0.0003","17.1544","0.0002","75.021","0.002","88.603","0.001","65.324","0.002","3325.4","0.12","99.98","0.16","99.98","0.16","","","","","","","","2","P -1","-P 1","2","","","","- C72 H72 -","- C72 H72 -","- C144 H144 -","2","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","1.54184","CuKα","","0.068","0.0614","","","0.1493","0.154","","","","","","1.074","","","","has coordinates,has disorder","248451","2020-10-21","18:00:00",""
"4134246","15.004","0.003","15.137","0.003","16.382","0.003","91.66","0.03","97.12","0.03","114.55","0.03","3344.8","1.4","173","2","173.15","","","","","","","","","2","P -1","-P 1","2","","","","- C72 H72 -","- C72 H72 -","- C144 H144 -","2","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","","0.71073","MoKα","","0.119","0.105","","","0.25","0.2594","","","","","","1.165","","","","has coordinates","248452","2020-10-21","18:00:00",""
"4134247","14.0137","0.001","14.8522","0.0007","30.5015","0.0014","99.833","0.004","96.296","0.005","101.675","0.005","6056.9","0.6","102","1","102","1","","","","","","","","5","P -1","-P 1","2","","","","- C104 H64 Cl8 N8 O8 -","- C104 H64 Cl8 N8 O8 -","- C208 H128 Cl16 N16 O16 -","2","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","1.54184","CuKα","","0.1601","0.1318","","","0.3647","0.3834","","","","","","1.325","","","","has coordinates","248453","2020-10-21","18:00:00",""
"4134248","27.3673","0.0005","24.3761","0.0005","25.0658","0.0004","90","","90","","90","","16721.6","0.5","112","1","112","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C85 H69 Cl3 N8 -","- C85 H69 Cl3 N8 -","- C680 H552 Cl24 N64 -","8","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","1.54184","CuKα","","0.1526","0.1358","","","0.4101","0.427","","","","","","1.637","","","","has coordinates,has disorder","248454","2020-10-21","18:00:00",""
"4134249","13.112","0.002","36.79","0.007","13.941","0.003","90","","94.675","0.003","90","","6703","2","173","2","173.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C78 H83 N -","- C78 H83 N -","- C312 H332 N4 -","4","2","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","","0.71073","MoKα","","0.1104","0.093","","","0.2301","0.2497","","","","","","1.058","","","","has coordinates,has disorder","248455","2020-10-21","18:00:00",""
"4134250","13.4917","0.0009","15.7383","0.001","19.8762","0.0013","67.001","0.006","82.321","0.005","83.718","0.005","3842.5","0.5","99.99","0.13","99.99","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C92 H74 Cl4 N6 O4 -","- C92 H74 Cl4 N6 O4 -","- C184 H148 Cl8 N12 O8 -","2","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","1.54184","CuKα","","0.1527","0.0938","","","0.2263","0.2585","","","","","","1.044","","","","has coordinates,has disorder","248456","2020-10-21","18:00:00",""
"4134251","10.602","0.003","12.553","0.003","16.667","0.004","100.365","0.003","98.374","0.002","111.432","0.002","1976.2","0.9","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H59.8 Cl0.2 O0.9 -","- C49 H59.8446 Cl0.1554 O0.9482 -","- C98 H119.689 Cl0.3108 O1.8964 -","2","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","","0.710747","MoKα","","0.0716","0.0665","","","0.1561","0.1607","","","","","","1.105","","","","has coordinates,has disorder","248457","2020-10-21","18:00:00",""
"4134252","14.2701","0.0007","21.8579","0.001","17.2886","0.0008","90","","110.914","0.005","90","","5037.3","0.4","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C60 H80 -","- C60 H80 -","- C240 H320 -","4","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","0.71073","MoKα","","0.0974","0.0609","","","0.1271","0.1442","","","","","","1.015","","","","has coordinates","248458","2020-10-21","18:00:00",""
"4134253","14.8771","0.0009","9.4425","0.0005","5.8322","0.0004","90","","90","","90","","819.29","0.09","293","2","293","2","","","","","","","","5","P m a 2","P 2 -2a","28","","","","- C5 H16 Cl6 N2 Pb2 -","- C5 H16 Cl6 N2 Pb2 -","- C10 H32 Cl12 N4 Pb4 -","2","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Cheng, Hao; Zeng, Yu-Ling; Zhang, Yi; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","A Three-Dimensional Lead Halide Perovskite-Related Ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00375","","","0.71073","MoKα","","0.0585","0.0545","","","0.152","0.1569","","","","","","1.003","","","","has coordinates","248459","2020-10-21","18:00:00",""
"4134254","14.9094","0.0006","9.4872","0.0004","5.8622","0.0003","90","","90","","90","","829.2","0.06","393","2","393","2","","","","","","","","5","P m a 2","P 2 -2a","28","","","","- C5 H16 Cl6 N2 Pb2 -","- C5 H16 Cl6 N2 Pb2 -","- C10 H32 Cl12 N4 Pb4 -","2","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Cheng, Hao; Zeng, Yu-Ling; Zhang, Yi; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","A Three-Dimensional Lead Halide Perovskite-Related Ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00375","","","0.71073","MoKα","","0.0388","0.0358","","","0.091","0.0925","","","","","","1.004","","","","has coordinates","248460","2020-10-21","18:00:00",""
"4134255","14.9183","0.0009","5.8648","0.0003","9.4829","0.0005","90","","90","","90","","829.69","0.08","423","2","423","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C5 H16 Cl6 N2 Pb2 -","- C5 H16 Cl6 N2 Pb2 -","- C10 H32 Cl12 N4 Pb4 -","2","0.25","","Zhang, Han-Yue; Song, Xian-Jiang; Cheng, Hao; Zeng, Yu-Ling; Zhang, Yi; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","A Three-Dimensional Lead Halide Perovskite-Related Ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00375","","","0.71073","MoKα","","0.0539","0.0494","","","0.1422","0.1472","","","","","","1.008","","","","has coordinates","248461","2020-10-21","18:00:00",""
"4134256","5.6892","0.0001","7.0976","0.0001","11.5466","0.0003","76.351","0.002","82.677","0.002","84.635","0.002","448.411","0.016","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H16 Cl2 N2 -","- C5 H16 Cl2 N2 -","- C10 H32 Cl4 N4 -","2","1","","Zhang, Han-Yue; Song, Xian-Jiang; Cheng, Hao; Zeng, Yu-Ling; Zhang, Yi; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","A Three-Dimensional Lead Halide Perovskite-Related Ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00375","","","0.71073","MoKα","","0.032","0.0302","","","0.0857","0.0869","","","","","","1.007","","","","has coordinates","248462","2020-10-21","18:00:00",""
"4134257","8.8776","0.0002","19.7436","0.0004","13.4135","0.0003","90","","101.693","0.0006","90","","2302.27","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N3 O3 S2 -","- C27 H21 N3 O3 S2 -","- C108 H84 N12 O12 S8 -","4","1","","Yu, Hao; Li, Songsong; Schwieter, Kenneth E.; Liu, Yun; Sun, Boran; Moore, Jeffrey S.; Schroeder, Charles M.","Charge Transport in Sequence-Defined Conjugated Oligomers.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00043","","","0.71073","MoKα","","0.0347","0.0303","","","0.0744","0.0775","","","","","","1.042","","","","has coordinates","248494","2020-10-21","18:00:00",""
"4134258","6.6052","0.0002","26.8681","0.0008","13.2804","0.0004","90","","91.3013","0.0009","90","","2356.25","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N3 O3 S2 -","- C27 H21 N3 O3 S2 -","- C108 H84 N12 O12 S8 -","4","1","","Yu, Hao; Li, Songsong; Schwieter, Kenneth E.; Liu, Yun; Sun, Boran; Moore, Jeffrey S.; Schroeder, Charles M.","Charge Transport in Sequence-Defined Conjugated Oligomers.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00043","","","0.71073","MoKα","","0.0624","0.0428","","","0.0811","0.088","","","","","","1.047","","","","has coordinates","248495","2020-10-21","18:00:00",""
"4134259","9.9882","0.0003","16.7181","0.0004","14.9023","0.0004","90","","107.501","0.001","90","","2373.26","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N3 O3 S2 -","- C27 H21 N3 O3 S2 -","- C108 H84 N12 O12 S8 -","4","1","","Yu, Hao; Li, Songsong; Schwieter, Kenneth E.; Liu, Yun; Sun, Boran; Moore, Jeffrey S.; Schroeder, Charles M.","Charge Transport in Sequence-Defined Conjugated Oligomers.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00043","","","0.71073","MoKα","","0.0702","0.0672","","","0.154","0.1551","","","","","","1.338","","","","has coordinates,has disorder","248496","2020-10-21","18:00:00",""
"4134260","8.0539","0.0003","22.4096","0.0007","15.3897","0.0005","90","","95.711","0.0006","90","","2763.82","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Cl3 N3 O3 S2 -","- C28 H22 Cl3 N3 O3 S2 -","- C112 H88 Cl12 N12 O12 S8 -","4","1","","Yu, Hao; Li, Songsong; Schwieter, Kenneth E.; Liu, Yun; Sun, Boran; Moore, Jeffrey S.; Schroeder, Charles M.","Charge Transport in Sequence-Defined Conjugated Oligomers.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00043","","","0.71073","MoKα","","0.0423","0.0368","","","0.088","0.0917","","","","","","1.029","","","","has coordinates,has disorder","248497","2020-10-21","18:00:00",""
"4134261","7.9993","0.0012","12.0989","0.0017","16.417","0.002","90","","90","","90","","1588.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 O2 -","- C18 H28 O2 -","- C72 H112 O8 -","4","1","","Deng, Jiachen; Ning, Yuhan; Tian, Hailong; Gui, Jinghan","Divergent Synthesis of Antiviral Diterpenes Wickerols A and B.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11838","","","0.71073","MoKα","","0.0689","0.0511","","","0.1093","0.1228","","","","","","1.031","","","","has coordinates","248498","2020-10-21","18:00:00",""
"4134262","32.471","0.01","6.632","0.002","16.071","0.006","90","","113.844","0.009","90","","3165.5","1.8","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C34 H50 O7 -","- C34 H50 O7 -","- C136 H200 O28 -","4","1","","Deng, Jiachen; Ning, Yuhan; Tian, Hailong; Gui, Jinghan","Divergent Synthesis of Antiviral Diterpenes Wickerols A and B.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11838","","","0.71073","MoKα","","0.1317","0.0611","","","0.1199","0.153","","","","","","1.044","","","","has coordinates,has disorder","248499","2020-10-21","18:00:00",""
"4134263","7.539","0.0001","10.9976","0.0002","15.373","0.0003","90","","97.424","0.001","90","","1263.9","0.04","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O2 -","- C14 H22 O2 -","- C56 H88 O8 -","4","2","","Deng, Jiachen; Ning, Yuhan; Tian, Hailong; Gui, Jinghan","Divergent Synthesis of Antiviral Diterpenes Wickerols A and B.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11838","","","1.34139","GaKα","","0.0305","0.0304","","","0.0836","0.0838","","","","","","0.975","","","","has coordinates","248500","2020-10-21","18:00:00",""
"4134264","14.1298","0.0016","38.475","0.004","38.518","0.004","90","","93.824","0.007","90","","20893","4","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H50 Cl2 F6 S6 Sb -","- C53 H50 Cl2 F6 S6 Sb -","- C848 H800 Cl32 F96 S96 Sb16 -","16","4","","Fujiwara, Toshihiro; Muranaka, Atsuya; Nishinaga, Tohru; Aoyagi, Shinobu; Kobayashi, Nagao; Uchiyama, Masanobu; Otani, Hiroyuki; Iyoda, Masahiko","Preparation, Spectroscopic Characterization and Theoretical Study of a Three-Dimensional Conjugated 70 π-Electron Thiophene 6-mer Radical Cation π-Dimer","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13573","","","0.4139","synchrotron","","0.2195","0.1667","","","0.3627","0.3857","","","","","","1.83","","","","has coordinates","248501","2020-10-21","18:00:00",""
"4134265","8.585","0.003","9.649","0.003","10.848","0.004","99.192","0.019","101.842","0.019","99.459","0.017","849.9","0.5","170","2","170","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C40 H56 O10 -","2","1","","Gao, Jianhong; Rao, Peirong; Xu, Kaixiang; Wang, Shuaifeng; Wu, Yufei; Ding, Hanfeng","Total Synthesis of (-)-Rhodomollanol A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00308","","","0.71073","MoKα","","0.0401","0.0376","","","0.0955","0.0978","","","","","","1.033","","","","has coordinates","248532","2020-10-21","18:00:00",""
"4134266","11.1451","0.0004","23.6819","0.0006","6.64","0.0002","90","","93.201","0.001","90","","1749.81","0.09","170","2","170","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 O5 -","- C21 H26 O5 -","- C84 H104 O20 -","4","1","","Gao, Jianhong; Rao, Peirong; Xu, Kaixiang; Wang, Shuaifeng; Wu, Yufei; Ding, Hanfeng","Total Synthesis of (-)-Rhodomollanol A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00308","","","0.71073","MoKα","","0.0627","0.0552","","","0.132","0.1388","","","","","","1.092","","","","has coordinates","248533","2020-10-21","18:00:00",""
"4134267","7.8133","0.0002","13.3461","0.0004","16.8714","0.0005","90","","90.194","0.001","90","","1759.29","0.09","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 O5 -","- C21 H26 O5 -","- C84 H104 O20 -","4","1","","Gao, Jianhong; Rao, Peirong; Xu, Kaixiang; Wang, Shuaifeng; Wu, Yufei; Ding, Hanfeng","Total Synthesis of (-)-Rhodomollanol A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00308","","","0.71073","MoKα","","0.0553","0.0429","","","0.115","0.1255","","","","","","1.055","","","","has coordinates","248534","2020-10-21","18:00:00",""
"4134268","14.206","0.0012","10.1372","0.0006","14.5055","0.0013","90","","118.834","0.011","90","","1829.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C84 H128 O16 -","4","1","","Gao, Jianhong; Rao, Peirong; Xu, Kaixiang; Wang, Shuaifeng; Wu, Yufei; Ding, Hanfeng","Total Synthesis of (-)-Rhodomollanol A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00308","","","0.71073","MoKα","","0.0627","0.0465","","","0.1098","0.1223","","","","","","1.027","","","","has coordinates","248535","2020-10-21","18:00:00",""
"4134269","7.854","0.0011","6.7448","0.0009","9.7912","0.0014","90","","113.64","","90","","475.15","0.11","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H9 Br3 F Mn N -","- C4 H9 Br3 F Mn N -","- C8 H18 Br6 F2 Mn2 N2 -","2","1","","Gao, Ji-Xing; Zhang, Wan-Ying; Wu, Zheng-Guang; Zheng, You-Xuan; Fu, Da-Wei","Enantiomorphic Perovskite Ferroelectrics with Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13291","","","0.71073","MoKα","","0.0607","0.0547","","","0.1506","0.1545","","","","","","1.001","","","","has coordinates","248536","2020-10-21","18:00:00",""
"4134270","7.8558","0.0004","6.7422","0.0003","9.7844","0.0005","90","","113.669","0.003","90","","474.64","0.04","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H9 Br3 F Mn N -","- C4 H9 Br3 F Mn N -","- C8 H18 Br6 F2 Mn2 N2 -","2","1","","Gao, Ji-Xing; Zhang, Wan-Ying; Wu, Zheng-Guang; Zheng, You-Xuan; Fu, Da-Wei","Enantiomorphic Perovskite Ferroelectrics with Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13291","","","0.71073","MoKα","","0.0802","0.0737","","","0.1914","0.1968","","","","","","1.003","","","","has coordinates","248537","2020-10-21","18:00:00",""
"4134271","7.8873","0.001","18.012","0.002","6.7513","0.0008","90","","90","","90","","959.1","0.2","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C4 H9 Br3 F Mn N -","- C4 H9 Br3 F Mn N -","- C16 H36 Br12 F4 Mn4 N4 -","4","0.5","","Gao, Ji-Xing; Zhang, Wan-Ying; Wu, Zheng-Guang; Zheng, You-Xuan; Fu, Da-Wei","Enantiomorphic Perovskite Ferroelectrics with Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13291","","","0.71073","MoKα","","0.0432","0.039","","","0.1056","0.108","","","","","","1.089","","","","has coordinates","248538","2020-10-21","18:00:00",""
"4134272","7.9069","0.0005","18.0192","0.0012","6.7589","0.0004","90","","90","","90","","962.98","0.11","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C4 H9 Br3 F Mn N -","- C4 H9 Br3 F Mn N -","- C16 H36 Br12 F4 Mn4 N4 -","4","0.5","","Gao, Ji-Xing; Zhang, Wan-Ying; Wu, Zheng-Guang; Zheng, You-Xuan; Fu, Da-Wei","Enantiomorphic Perovskite Ferroelectrics with Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13291","","","0.71073","MoKα","","0.0588","0.0401","","","0.0987","0.1049","","","","","","1.001","","","","has coordinates","248539","2020-10-21","18:00:00",""
"4134273","9.2974","0.0003","25.1758","0.0007","8.9611","0.0003","90","","90","","90","","2097.52","0.11","173","2","173","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C10 H20 F4 I4 N2 Pb -","- C10 H20 F4 I4 N2 Pb -","- C40 H80 F16 I16 N8 Pb4 -","4","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0355","0.0351","","","0.0847","0.0849","","","","","","1.053","","","","has coordinates","248540","2020-10-21","18:00:00",""
"4134274","8.654","0.0004","18.8523","0.0011","8.0744","0.0004","90","","90","","90","","1317.32","0.12","308","2","308","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C5 H9 F I3 N Pb -","- C5 H9 F I3 N Pb -","- C20 H36 F4 I12 N4 Pb4 -","4","0.25","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0949","0.091","","","0.2657","0.2688","","","","","","1.109","","","","has coordinates","248541","2020-10-21","18:00:00",""
"4134275","8.7441","0.0014","19.056","0.003","8.0199","0.0009","90","","90","","90","","1336.3","0.3","403","2","403","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C5 H9 F I3 N Pb -","- C5 H9 F I3 N Pb -","- C20 H36 F4 I12 N4 Pb4 -","4","0.25","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.1304","0.1049","","","0.2548","0.2796","","","","","","1.074","","","","has coordinates","248542","2020-10-21","18:00:00",""
"4134276","8.0887","0.001","10.4653","0.0014","14.9244","0.0019","90","","90","","90","","1263.4","0.3","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C5 H9 F I3 N Pb -","- C5 H9 F I3 N Pb -","- C20 H36 F4 I12 N4 Pb4 -","4","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.2227","0.2091","","","0.5026","0.5216","","","","","","2.017","","","","has coordinates","248543","2020-10-21","18:00:00",""
"4134277","9.2541","0.0002","25.0703","0.0005","8.9483","0.0002","90","","90","","90","","2076.03","0.08","100","2","100","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C10 H20 F4 I4 N2 Pb -","- C10 H20 F4 I4 N2 Pb -","- C40 H80 F16 I16 N8 Pb4 -","4","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0219","0.0214","","","0.0573","0.0575","","","","","","1.103","","","","has coordinates","248544","2020-10-21","18:00:00",""
"4134278","8.1202","0.0005","10.9804","0.0005","14.3598","0.0007","90","","90","","90","","1280.36","0.12","300","2","300","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C5 H11 F I3 N Pb -","- C5 H11 F I3 N Pb -","- C20 H44 F4 I12 N4 Pb4 -","4","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0588","0.0438","","","0.1003","0.1066","","","","","","0.997","","","","has coordinates","248545","2020-10-21","18:00:00",""
"4134279","8.7153","0.0003","18.443","0.0007","8.1281","0.0003","90","","90","","90","","1306.48","0.08","300","2","300","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C5 H12 I3 N Pb -","- C5 H12 I3 N Pb -","- C20 H48 I12 N4 Pb4 -","4","0.25","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0345","0.029","","","0.0771","0.0794","","","","","","1.083","","","","has coordinates","248546","2020-10-21","18:00:00",""
"4134280","25.1842","0.0005","8.738","0.0002","32.9196","0.0007","90","","110.546","0.002","90","","6783.5","0.3","300","2","300","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C60 H120 F24 I26 N12 Pb7 -","- C60 H120 F24 I26 N12 Pb7 -","- C120 H240 F48 I52 N24 Pb14 -","2","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.1165","0.0936","","","0.2644","0.2828","","","","","","1.107","","","","has coordinates","248547","2020-10-21","18:00:00",""
"4134281","6.5653","0.0007","6.5653","0.0007","25.81","0.007","90","","90","","90","","1112.5","0.3","453","2","453","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C10 H0 F0 I4 N2 Pb -","- C10 I4 N2 Pb -","- C20 I8 N4 Pb2 -","2","0.0625","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.1066","0.0594","","","0.1765","0.1999","","","","","","1.164","","","","has coordinates","248548","2020-10-21","18:00:00",""
"4134282","9.3456","0.0004","25.3587","0.0013","9.0113","0.0005","90","","90","","90","","2135.61","0.19","300","2","300","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C10 H20 F4 I4 N2 Pb -","- C10 H20 F4 I4 N2 Pb -","- C40 H80 F16 I16 N8 Pb4 -","4","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0296","0.0283","","","0.0697","0.07","","","","","","1.094","","","","has coordinates","248549","2020-10-21","18:00:00",""
"4134283","15.5578","0.0001","18.7553","0.0001","43.8495","0.0003","90","","90","","90","","12794.9","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Br2 O13 -","- C132.001 H176.002 Br2.0004 O13.0002 -","- C528.003 H704.006 Br8.0016 O52.0008 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0601","0.0536","","","0.1493","0.1554","","","","","","1.034","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134284","15.5918","0.0001","18.7392","0.0001","43.8114","0.0002","90","","90","","90","","12800.7","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Cl2 O13 -","- C132 H176 Cl2 O13 -","- C528 H704 Cl8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0542","0.0506","","","0.1463","0.1504","","","","","","1.028","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134285","15.5129","0.0004","18.7006","0.0006","44.5116","0.0019","90","","90","","90","","12912.8","0.8","100","0.01","100","0.01","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C135 H184 O13 -","- C135 H184 O13 -","- C540 H736 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.1758","0.127","","","0.3005","0.3375","","","","","","1.068","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134286","15.6034","0.0001","18.747","0.0002","43.6221","0.0004","90","","90","","90","","12760.2","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C129.98 H171.96 Cl0.99 O12.5 -","- C129.98 H171.96 Cl0.99 O12.495 -","- C519.92 H687.84 Cl3.96 O49.98 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0837","0.0713","","","0.1983","0.2112","","","","","","1.036","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134287","15.6135","0.0001","18.7515","0.0001","43.6512","0.0002","90","","90","","90","","12780","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Cl2 O13 -","- C132 H176 Cl2 O13 -","- C528 H704 Cl8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0757","0.0718","","","0.2119","0.2171","","","","","","1.028","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134288","43.9914","0.0003","18.7402","0.0001","15.6122","0.0001","90","","90","","90","","12870.8","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0933","0.0902","","","0.2706","0.2754","","","","","","1.286","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134289","43.9781","0.0005","18.7317","0.0002","15.60869","0.00016","90","","90","","90","","12858.2","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Br2 O13 -","- C132 H176 Br2 O13 -","- C528 H704 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.089","0.0819","","","0.2392","0.2469","","","","","","1.022","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134290","15.5569","0.0001","18.739","0.0001","43.9862","0.0003","90","","90","","90","","12822.9","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C130.76 H173.51 Cl1.38 O12.69 -","- C130.756 H173.512 Cl1.378 O12.689 -","- C523.024 H694.048 Cl5.512 O50.756 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0686","0.0625","","","0.1783","0.1853","","","","","","1.031","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134291","15.6058","0.0001","18.7366","0.0001","43.8709","0.0003","90","","90","","90","","12827.8","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Br2 O13 -","- C132 H176 Br2 O13 -","- C528 H704 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0865","0.0821","","","0.2409","0.2481","","","","","","1.036","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134292","15.6092","0.0001","18.736","0.0001","44.0628","0.0003","90","","90","","90","","12886.3","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0679","0.0653","","","0.1875","0.1912","","","","","","1.024","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134293","15.5652","0.0001","18.7578","0.0001","43.9214","0.0003","90","","90","","90","","12823.7","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C130.65 H173.29 Br1.32 O12.66 -","- C130.644 H173.288 Br1.322 O12.661 -","- C522.576 H693.152 Br5.288 O50.644 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0963","0.089","","","0.256","0.2664","","","","","","1.022","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134294","44.1945","0.0002","18.7815","0.0001","15.5563","0.0001","90","","90","","90","","12912.3","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.057","0.0528","","","0.1485","0.1522","","","","","","1.024","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134295","15.4103","0.0001","18.6023","0.0001","44.9029","0.0002","90","","90","","90","","12872.2","0.12","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C134 H182 O13 -","- C134 H182 O13 -","- C536 H728 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0381","0.0366","","","0.0997","0.1011","","","","","","1.065","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134296","15.5483","0.0001","18.7836","0.0001","44.2547","0.0003","90","","90","","90","","12924.7","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0647","0.0515","","","0.1339","0.1432","","","","","","1.027","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134297","15.6234","0.0001","18.7658","0.0001","43.5913","0.0002","90","","90","","90","","12780.3","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C130.13 H172.26 Br1.07 O12.53 -","- C130.128 H172.256 Br1.064 O12.532 -","- C520.512 H689.024 Br4.256 O50.128 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.077","0.0733","","","0.2104","0.2149","","","","","","1.025","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134298","15.5193","0.0001","18.6716","0.0001","44.6387","0.0006","90","","90","","90","","12935","0.2","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C135 H184 O13 -","- C135 H184 O13 -","- C540 H736 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0668","0.0525","","","0.1366","0.1473","","","","","","1.032","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134299","13.8728","0.0004","15.2034","0.0005","16.2677","0.0005","81.656","0.002","77.474","0.002","82.871","0.002","3298.68","0.18","90","2","90","2","","","","","","","","6","P -1","-P 1","2","SQPhMe2","","","- C70 H91 B N8 O4 Zn -","- C70 H91 B N8 O4 Zn -","- C140 H182 B2 N16 O8 Zn2 -","2","1","","Shultz, David A.; Kirk, Martin L.; Zhang, Jinyuan; Stasiw, Daniel Earl; Wang, Guangbin; Yang, Jing; Habel-Rodriguez, Diana; Stein, Benjamin W.; Sommer, Roger D.","Spectroscopic Signatures of Resonance Inhibition Reveal Differences in Donor-Bridge and Bridge-Acceptor Couplings.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00326","","","0.71073","MoKα","","0.0857","0.0675","","","0.151","0.1581","","","","","","1.177","","","","has coordinates,has disorder","248613","2020-10-21","18:00:00",""
"4134300","13.7356","0.0009","14.3196","0.0008","16.8518","0.0011","77.839","0.002","82.276","0.002","72.005","0.002","3073.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","607-Me2Ph","","","- C65 H79.86 B Cl1.14 N8 O4.43 Zn -","- C65 H79.8642 B Cl1.1358 N8 O4.4321 Zn -","- C130 H159.728 B2 Cl2.2716 N16 O8.8642 Zn2 -","2","1","","Shultz, David A.; Kirk, Martin L.; Zhang, Jinyuan; Stasiw, Daniel Earl; Wang, Guangbin; Yang, Jing; Habel-Rodriguez, Diana; Stein, Benjamin W.; Sommer, Roger D.","Spectroscopic Signatures of Resonance Inhibition Reveal Differences in Donor-Bridge and Bridge-Acceptor Couplings.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00326","","","0.71073","MoKα","","0.0624","0.0393","","","0.0913","0.1011","","","","","","1.022","","","","has coordinates,has disorder","248615","2020-10-21","18:00:00",""
"4134301","8.4436","0.0016","11.21","0.002","22.265","0.004","90","","99.687","0.003","90","","2077.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 Cl4 Cu2 N8 -","- C42 H50 Cl4 Cu2 N8 -","- C84 H100 Cl8 Cu4 N16 -","2","0.5","","du Plessis, Marike; Nikolayenko, Varvara I.; Barbour, Leonard J.","Record-setting selectivity for p-xylene by an intrinsically porous 0D metallocycle.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11314","","","0.71073","MoKα","","0.1082","0.0568","","","0.1452","0.1616","","","","","","1.031","","","","has coordinates,has disorder","248616","2020-10-21","18:00:00",""
"4134302","8.4004","0.0017","10.908","0.002","22.526","0.005","90","","100.88","0.03","90","","2027","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 Cl4 Cu2 N8 -","- C42 H50 Cl4 Cu2 N8 -","- C84 H100 Cl8 Cu4 N16 -","2","0.5","","du Plessis, Marike; Nikolayenko, Varvara I.; Barbour, Leonard J.","Record-setting selectivity for p-xylene by an intrinsically porous 0D metallocycle.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11314","","","0.71073","MoKα","","0.0478","0.035","","","0.0738","0.0781","","","","","","1.085","","","","has coordinates","248617","2020-10-21","18:00:00",""
"4134303","26.1739","0.0014","26.1739","0.0014","31.8805","0.0018","90","","90","","90","","21840","2","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C122.73 H157.5 Cl1.23 D103.13 N50.47 O88.88 Pd6 -","- C122.736 H157.508 Cl1.228 N50.4704 O88.8324 Pd6 -","- C490.944 H630.032 Cl4.912 N201.882 O355.33 Pd24 -","4","0.25","","Dolgopolova, Ekaterina A.; Berseneva, Anna A.; Faillace, Martín S; Ejegbavwo, Otega A.; Leith, Gabrielle A.; Choi, Seok W.; Gregory, Haley N.; Rice, Allison M.; Smith, Mark D.; Chruszcz, Maksymilian; Garashchuk, Sophya; Mythreye, Karthikeyan; Shustova, Natalia B.","Confinement-Driven Photophysics in Cages, Covalent-Organic Frameworks, Metal-Organic Frameworks, and DNA.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13505","","x-ray","0.71073","MoKα","","0.0748","0.0523","","","0.1443","0.1654","","","","","","1.062","","","","has coordinates,has disorder","248652","2020-10-21","18:00:00",""
"4134304","12.9298","0.0006","4.9895","0.0002","20.3524","0.001","90","","93.496","0.003","90","","1310.56","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Dolgopolova, Ekaterina A.; Berseneva, Anna A.; Faillace, Martín S; Ejegbavwo, Otega A.; Leith, Gabrielle A.; Choi, Seok W.; Gregory, Haley N.; Rice, Allison M.; Smith, Mark D.; Chruszcz, Maksymilian; Garashchuk, Sophya; Mythreye, Karthikeyan; Shustova, Natalia B.","Confinement-Driven Photophysics in Cages, Covalent-Organic Frameworks, Metal-Organic Frameworks, and DNA.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13505","","x-ray","0.71073","MoKα","","0.0498","0.0398","","","0.0961","0.1022","","","","","","1.018","","","","has coordinates","248653","2020-10-21","18:00:00",""
"4134305","26.0645","0.0009","26.0645","0.0009","31.6937","0.0013","90","","90","","90","","21531.4","1.4","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C120 H154 Cl N38 O10.97 Pd6 -","- C120 H154 Cl N38 O10.968 Pd6 -","- C480 H616 Cl4 N152 O43.872 Pd24 -","4","0.25","","Dolgopolova, Ekaterina A.; Berseneva, Anna A.; Faillace, Martín S; Ejegbavwo, Otega A.; Leith, Gabrielle A.; Choi, Seok W.; Gregory, Haley N.; Rice, Allison M.; Smith, Mark D.; Chruszcz, Maksymilian; Garashchuk, Sophya; Mythreye, Karthikeyan; Shustova, Natalia B.","Confinement-Driven Photophysics in Cages, Covalent-Organic Frameworks, Metal-Organic Frameworks, and DNA.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13505","","","0.71073","MoKα","","0.0634","0.045","","","0.1196","0.1346","","","","","","1.027","","","","has coordinates,has disorder","248654","2020-10-21","18:00:00",""
"4134306","24.0073","0.0012","24.0073","0.0012","15.9595","0.0008","90","","90","","90","","9198.3","0.8","100","2","100","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C95.6 H70.57 N4.51 O41.03 Zr6 -","- C95.584 H70.56 N4.512 O41.024 Zr6 -","- C191.168 H141.12 N9.024 O82.048 Zr12 -","2","0.125","","Dolgopolova, Ekaterina A.; Berseneva, Anna A.; Faillace, Martín S; Ejegbavwo, Otega A.; Leith, Gabrielle A.; Choi, Seok W.; Gregory, Haley N.; Rice, Allison M.; Smith, Mark D.; Chruszcz, Maksymilian; Garashchuk, Sophya; Mythreye, Karthikeyan; Shustova, Natalia B.","Confinement-Driven Photophysics in Cages, Covalent-Organic Frameworks, Metal-Organic Frameworks, and DNA.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13505","","x-ray","0.71073","MoKα","","0.0906","0.0644","","","0.1685","0.1804","","","","","","1.086","","","","has coordinates,has disorder","248655","2020-10-21","18:00:00",""
"4134307","9.8035","0.0006","11.4779","0.0007","12.3921","0.0009","98.095","0.002","96.276","0.002","108.756","0.002","1289.3","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O5 -","- C14 H12 N2 O5 -","- C56 H48 N8 O20 -","4","2","","Dolgopolova, Ekaterina A.; Berseneva, Anna A.; Faillace, Martín S; Ejegbavwo, Otega A.; Leith, Gabrielle A.; Choi, Seok W.; Gregory, Haley N.; Rice, Allison M.; Smith, Mark D.; Chruszcz, Maksymilian; Garashchuk, Sophya; Mythreye, Karthikeyan; Shustova, Natalia B.","Confinement-Driven Photophysics in Cages, Covalent-Organic Frameworks, Metal-Organic Frameworks, and DNA.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13505","","x-ray","0.71073","MoKα","","0.0716","0.0482","","","0.1126","0.1235","","","","","","1.041","","","","has coordinates","248656","2020-10-21","18:00:00",""
"4134308","12.2494","0.0006","14.8757","0.0008","12.9755","0.0007","90","","96.736","0.002","90","","2348.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H40 Co P2 -","- C24 H40 Co P2 -","- C96 H160 Co4 P8 -","4","2","","Zhong, Hongyu; Shevlin, Michael; Chirik, Paul J.","Cobalt-Catalyzed Asymmetric Hydrogenation of α, β-Unsaturated Carboxylic Acids by Homolytic H2 Cleavage.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13876","","","0.71073","MoKα","","0.076","0.0477","","","0.08","0.0888","","","","","","1.062","","","","has coordinates","248657","2020-10-21","18:00:00",""
"4134309","13.6609","0.0008","36.865","0.002","16.0767","0.0009","90","","90.141","0.002","90","","8096.3","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H54 Co O4 P2 -","- C44 H54 Co O4 P2 -","- C352 H432 Co8 O32 P16 -","8","4","","Zhong, Hongyu; Shevlin, Michael; Chirik, Paul J.","Cobalt-Catalyzed Asymmetric Hydrogenation of α, β-Unsaturated Carboxylic Acids by Homolytic H2 Cleavage.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13876","","","0.71073","MoKα","","0.1374","0.0679","","","0.1066","0.1249","","","","","","1.022","","","","has coordinates,has disorder","248657","2020-10-21","18:00:00",""
"4134310","10.173","0.0005","17.9914","0.0009","20.5132","0.0011","90","","90","","90","","3754.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H62 Co O4 P2 -","- C36 H62 Co O4 P2 -","- C144 H248 Co4 O16 P8 -","4","1","","Zhong, Hongyu; Shevlin, Michael; Chirik, Paul J.","Cobalt-Catalyzed Asymmetric Hydrogenation of α, β-Unsaturated Carboxylic Acids by Homolytic H2 Cleavage.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13876","","","0.71073","MoKα","","0.0728","0.0444","","","0.0804","0.0891","","","","","","1.05","","","","has coordinates","248657","2020-10-21","18:00:00",""
"4134311","10.4017","0.0004","16.9632","0.0005","33.2921","0.001","90","","90","","90","","5874.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H46 Co O4 P2 -","- C26 H46 Co O4 P2 -","- C208 H368 Co8 O32 P16 -","8","2","","Zhong, Hongyu; Shevlin, Michael; Chirik, Paul J.","Cobalt-Catalyzed Asymmetric Hydrogenation of α, β-Unsaturated Carboxylic Acids by Homolytic H2 Cleavage.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13876","","","0.71073","MoKα","","0.0563","0.0416","","","0.0813","0.0958","","","","","","1.128","","","","has coordinates","248657","2020-10-21","18:00:00",""
"4134312","19.1159","0.0011","19.1159","0.0011","9.6917","0.0006","90","","90","","120","","3067","0.3","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C44 H60 Co O4 P2 -","- C44 H60 Co O4 P2 -","- C132 H180 Co3 O12 P6 -","3","1","","Zhong, Hongyu; Shevlin, Michael; Chirik, Paul J.","Cobalt-Catalyzed Asymmetric Hydrogenation of α, β-Unsaturated Carboxylic Acids by Homolytic H2 Cleavage.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13876","","","0.71073","MoKα","","0.1075","0.0791","","","0.1304","0.142","","","","","","1.073","","","","has coordinates","248657","2020-10-21","18:00:00",""
"4134313","12.5544","0.001","15.5553","0.0011","8.5423","0.0006","90","","102.753","0.008","90","","1627.1","0.2","143","2","143","2","","","","","","","","5","C 1 c 1","C -2yc","9","RM681","","","- C18 H14 I N O3 -","- C18 H14 I N O3 -","- C72 H56 I4 N4 O12 -","4","1","","Mayer, Robert J.; Ofial, Armin R.; Mayr, Herbert; Legault, Claude Y.","Lewis Acidity Scale of Diaryliodonium Ions toward Oxygen, Nitrogen, and Halogen Lewis Bases.","Journal of the American Chemical Society","2020","142","11","5221","5233","10.1021/jacs.9b12998","","","0.71073","MoKα","","0.0328","0.0272","","","0.0395","0.0421","","","","","","1.004","","","","has coordinates","250069","2020-10-21","18:00:00",""
"4134314","13.9493","0.0005","14.2632","0.0005","16.4732","0.0006","90","","101.861","0.001","90","","3207.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","RM686","","","- C19 H15 I O2 -","- C19 H15 I O2 -","- C152 H120 I8 O16 -","8","2","","Mayer, Robert J.; Ofial, Armin R.; Mayr, Herbert; Legault, Claude Y.","Lewis Acidity Scale of Diaryliodonium Ions toward Oxygen, Nitrogen, and Halogen Lewis Bases.","Journal of the American Chemical Society","2020","142","11","5221","5233","10.1021/jacs.9b12998","","","0.71073","MoKα","","0.0264","0.0193","","","0.037","0.0409","","","","","","1.11","","","","has coordinates","250069","2020-10-21","18:00:00",""
"4134315","16.1941","0.0006","13.2477","0.0004","16.5076","0.0004","90","","90","","90","","3541.45","0.19","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H29 B10 N O -","- C11 H29 B10 N O -","- C88 H232 B80 N8 O8 -","8","1","","Mills, Harrison A.; Martin, Joshua; Rheingold, Arnold L.; Spokoyny, Alexander M.","Oxidative Generation of Boron-Centered Radicals in Carboranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00300","","x-ray","0.71073","MoKα","","0.0635","0.0482","","","0.1177","0.1274","","","","","","1.051","","","","has coordinates","248660","2020-10-21","18:00:00",""
"4134316","13.2848","0.0013","17.384","0.002","14.224","0.003","90","","91.954","0.005","90","","3283","0.9","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H23 B11 O2 -","- C8 H23 B11 O2 -","- C64 H184 B88 O16 -","8","2","","Mills, Harrison A.; Martin, Joshua; Rheingold, Arnold L.; Spokoyny, Alexander M.","Oxidative Generation of Boron-Centered Radicals in Carboranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00300","","x-ray","0.71073","MoKα","","0.0832","0.0509","","","0.1152","0.1307","","","","","","1.015","","","","has coordinates","248661","2020-10-21","18:00:00",""
"4134317","13.1543","0.0005","16.221","0.0005","16.6984","0.0005","90","","90","","90","","3563","0.2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H29 B10 N O -","- C11 H29 B10 N O -","- C88 H232 B80 N8 O8 -","8","1","","Mills, Harrison A.; Martin, Joshua; Rheingold, Arnold L.; Spokoyny, Alexander M.","Oxidative Generation of Boron-Centered Radicals in Carboranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00300","","x-ray","1.54178","CuKα","","0.0522","0.0475","","","0.1303","0.136","","","","","","1.024","","","","has coordinates","248662","2020-10-21","18:00:00",""
"4134318","11.0668","0.0002","11.6755","0.0002","13.1623","0.0002","90","","91.092","0.001","90","","1700.4","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H23 B10 N -","- C11 H23 B10 N -","- C44 H92 B40 N4 -","4","1","","Mills, Harrison A.; Martin, Joshua; Rheingold, Arnold L.; Spokoyny, Alexander M.","Oxidative Generation of Boron-Centered Radicals in Carboranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00300","","x-ray","1.54178","CuKα","","0.048","0.0456","","","0.1213","0.1237","","","","","","1.099","","","","has coordinates","248663","2020-10-21","18:00:00",""
"4134319","16.4854","0.0006","9.7782","0.0004","19.2767","0.0007","90","","113.47","0.002","90","","2850.28","0.19","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H15 B10 N S -","- C9 H15 B10 N S -","- C72 H120 B80 N8 S8 -","8","2","","Mills, Harrison A.; Martin, Joshua; Rheingold, Arnold L.; Spokoyny, Alexander M.","Oxidative Generation of Boron-Centered Radicals in Carboranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00300","","x-ray","0.71073","MoKα","","0.0563","0.0446","","","0.1159","0.1256","","","","","","1.028","","","","has coordinates","248664","2020-10-21","18:00:00",""
"4134320","7.5013","0.0004","8.6517","0.0004","4.2142","0.0002","90","","90","","90","","273.5","0.02","300","2","300","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Ba0.5 F2 H O Te0.5 -","- Ba0.5 F2 H O Te0.5 -","- Ba2 F8 H4 O4 Te2 -","4","1","","Zhou, Jinjie; Wu, Hongping; Yu, Hongwei; Jiang, Shutong; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Halasyamani, P. Shiv","BaF<sub>2</sub>TeF<sub>2</sub>(OH)<sub>2</sub>: A UV Nonlinear Optical Fluorotellurite Material Designed by Band-Gap Engineering.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00702","","","0.71073","MoKα","","0.0201","0.02","","","0.0521","0.0522","","","","","","1.011","","","","has coordinates","248665","2020-10-21","18:00:00",""
"4134321","7.5394","0.0002","14.4953","0.0005","26.6114","0.0008","90","","90","","90","","2908.25","0.15","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C31 H37 N5 O5 -","- C31 H37 N5 O5 -","- C124 H148 N20 O20 -","4","1","","Li, Xing; Qiao, Jingsi; Chee, See Wee; Xu, Hai-Sen; Zhao, Xiaoxu; Choi, Hwa Seob; Yu, Wei; Quek, Su Ying; Mirsaidov, Utkur; Loh, Kian Ping","Rapid, Scalable Construction of Highly Crystalline Acylhydrazone Two-Dimensional Covalent Organic Frameworks via Dipole-Induced Antiparallel Stacking.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00553","","","1.54178","CuKα","","0.0598","0.0473","","","0.1142","0.1224","","","","","","1.028","","","","has coordinates","248666","2020-10-21","18:00:00",""
"4134322","27.5137","0.0008","13.8315","0.0005","7.3394","0.0002","90","","90","","90","","2793.05","0.15","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C31 H33 N5 O5 -","- C31 H33 N5 O5 -","- C124 H132 N20 O20 -","4","0.5","","Li, Xing; Qiao, Jingsi; Chee, See Wee; Xu, Hai-Sen; Zhao, Xiaoxu; Choi, Hwa Seob; Yu, Wei; Quek, Su Ying; Mirsaidov, Utkur; Loh, Kian Ping","Rapid, Scalable Construction of Highly Crystalline Acylhydrazone Two-Dimensional Covalent Organic Frameworks via Dipole-Induced Antiparallel Stacking.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00553","","","1.54178","CuKα","","0.0788","0.0684","","","0.1617","0.1667","","","","","","1.212","","","","has coordinates,has disorder","248667","2020-10-21","18:00:00",""
"4134323","12.4621","0.0006","4.6443","0.0002","33.9076","0.0018","90","","96.663","0.002","90","","1949.24","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 N4 O4 -","- C22 H22 N4 O4 -","- C88 H88 N16 O16 -","4","0.5","","Li, Xing; Qiao, Jingsi; Chee, See Wee; Xu, Hai-Sen; Zhao, Xiaoxu; Choi, Hwa Seob; Yu, Wei; Quek, Su Ying; Mirsaidov, Utkur; Loh, Kian Ping","Rapid, Scalable Construction of Highly Crystalline Acylhydrazone Two-Dimensional Covalent Organic Frameworks via Dipole-Induced Antiparallel Stacking.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00553","","","0.71073","MoKα","","0.0607","0.0535","","","0.1277","0.1322","","","","","","1.106","","","","has coordinates","248668","2020-10-21","18:00:00",""
"4134324","11.0677","0.0004","16.9032","0.0006","18.9507","0.0007","91.236","0.002","91.614","0.002","98.585","0.002","3503","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Et(CAAC)BeTempo","","","- C71 H124 Be2 N5 O3 -","- C71 H124 Be2 N5 O3 -","- C142 H248 Be4 N10 O6 -","2","1","","Wang, Guocang; Walley, Jacob E.; Dickie, Diane A.; Pan, Sudip; Frenking, Gernot; Gilliard, Jr, Robert J","A Stable, Crystalline Beryllium Radical Cation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13777","","","1.54178","CuKα","","0.0768","0.0591","","","0.1516","0.1669","","","","","","1.014","","","","has coordinates","248669","2020-10-21","18:00:00",""
"4134325","20.6387","0.0007","15.7843","0.0005","22.7926","0.0008","90","","99.54","0.001","90","","7322.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Be(I)BARF","","","- C76 H82 B Be F24.04 N2 -","- C76 H82 B Be F24.03 N2 -","- C304 H328 B4 Be4 F96.12 N8 -","4","1","","Wang, Guocang; Walley, Jacob E.; Dickie, Diane A.; Pan, Sudip; Frenking, Gernot; Gilliard, Jr, Robert J","A Stable, Crystalline Beryllium Radical Cation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13777","","","0.71073","MoKα","","0.1109","0.0637","","","0.1361","0.1596","","","","","","1.018","","","","has coordinates,has disorder","248669","2020-10-21","18:00:00",""
"4134326","17.902","0.002","21.874","0.003","20.278","0.003","90","","111.118","0.004","90","","7407.3","1.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C67 H86 B Be F24.01 N3 Na2 O5 -","- C67 H86 B Be F24.015 N3 Na2 O5 -","- C268 H344 B4 Be4 F96.06 N12 Na8 O20 -","4","1","","Wang, Guocang; Walley, Jacob E.; Dickie, Diane A.; Pan, Sudip; Frenking, Gernot; Gilliard, Jr, Robert J","A Stable, Crystalline Beryllium Radical Cation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13777","","","0.71073","MoKα","","0.1397","0.0626","","","0.1232","0.1522","","","","","","1.003","","","","has coordinates,has disorder","248669","2020-10-21","18:00:00",""
"4134327","11.8464","0.0006","15.1384","0.0007","21.7904","0.001","90","","90.911","0.002","90","","3907.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H132 Be2 K2 N6 O6 -","- C75 H132 Be2 K2 N6 O6 -","- C150 H264 Be4 K4 N12 O12 -","2","0.5","","Wang, Guocang; Walley, Jacob E.; Dickie, Diane A.; Pan, Sudip; Frenking, Gernot; Gilliard, Jr, Robert J","A Stable, Crystalline Beryllium Radical Cation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13777","","","0.71073","MoKα","","0.0578","0.0392","","","0.0937","0.1039","","","","","","1.023","","","","has coordinates,has disorder","248669","2020-10-21","18:00:00",""
"4134328","21.604","0.005","21.604","0.005","8.778","0.002","90","","90","","90","","4097","1.6","100","2","100","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C95 H134 Fe2 N6 -","- C95 H136 Fe2 N6 -","- C190 H272 Fe4 N12 -","2","0.25","","Joannou, Matthew V.; Hoyt, Jordan M.; Chirik, Paul J.","Investigations into the Mechanism of Inter- and Intramolecular Iron-Catalyzed [2+2] Cycloaddition of Alkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00250","","","0.71073","MoKα","","0.0583","0.0462","","","0.0988","0.1046","","","","","","1.052","","","","has coordinates","248849","2020-10-21","18:00:00",""
"4134329","12.8735","0.0008","13.1302","0.0009","24.7514","0.0016","90","","103.465","0.002","90","","4068.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H64.5 Fe N3 -","- C49 H64.524 Fe N3 -","- C196 H258.096 Fe4 N12 -","4","1","","Joannou, Matthew V.; Hoyt, Jordan M.; Chirik, Paul J.","Investigations into the Mechanism of Inter- and Intramolecular Iron-Catalyzed [2+2] Cycloaddition of Alkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00250","","","0.71073","MoKα","","0.0781","0.0516","","","0.1298","0.1451","","","","","","1.052","","","","has coordinates,has disorder","248849","2020-10-21","18:00:00",""
"4134330","15.707","0.005","11.802","0.005","21.158","0.005","90","","111.55","0.005","90","","3648","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H53 Fe N5 -","- C41 H53 Fe N5 -","- C164 H212 Fe4 N20 -","4","1","","Joannou, Matthew V.; Hoyt, Jordan M.; Chirik, Paul J.","Investigations into the Mechanism of Inter- and Intramolecular Iron-Catalyzed [2+2] Cycloaddition of Alkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00250","","","1.54184","CuKα","","0.0685","0.0572","","","0.1464","0.1522","","","","","","1.09","","","","has coordinates","248849","2020-10-21","18:00:00",""
"4134331","7.9528","0.0007","9.0316","0.0017","18.0753","0.0017","90","","94.632","0.003","90","","1294","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N6 -","- C30 H28 N6 -","- C60 H56 N12 -","2","0.5","","Peterson, Joshua P.; Ellern, Arkady; Winter, Arthur H.","Spin Delocalization, Polarization, and London Dispersion Forces Govern the Formation of Diradical Pimers.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00190","","","1.54184","CuKα","","0.0404","0.0396","","","0.1059","0.1068","","","","","","1.012","","","","has coordinates","248852","2020-10-21","18:00:00",""
"4134332","7.2535","0.0002","7.5984","0.0002","9.1524","0.0002","73.7","0.001","88.894","0.002","65.047","0.002","436.11","0.02","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 N4 O2 -","- C22 H14 N4 O2 -","- C22 H14 N4 O2 -","1","0.5","","Peterson, Joshua P.; Ellern, Arkady; Winter, Arthur H.","Spin Delocalization, Polarization, and London Dispersion Forces Govern the Formation of Diradical Pimers.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00190","","","1.54178","CuKα","","0.0411","0.038","","","0.1386","0.1427","","","","","","1.221","","","","has coordinates","248854","2020-10-21","18:00:00",""
"4134333","7.628","0.0003","10.0861","0.0003","10.2848","0.0003","74.527","0.002","74.067","0.002","76.732","0.002","722.8","0.04","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H28 N6 -","- C35 H20 N6 -","- C35 H20 N6 -","1","0.5","","Peterson, Joshua P.; Ellern, Arkady; Winter, Arthur H.","Spin Delocalization, Polarization, and London Dispersion Forces Govern the Formation of Diradical Pimers.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00190","","","1.54178","CuKα","","0.0514","0.0467","","","0.1793","0.1893","","","","","","1.019","","","","has coordinates,has disorder","248856","2020-10-21","18:00:00",""
"4134334","33.6744","0.0015","9.5767","0.0004","19.9789","0.0009","90","","94.5214","0.001","90","","6422.9","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 F6 N5 O9 P3 Ru -","- C25 H28 F6 N5 O9 P3 Ru -","- C200 H224 F48 N40 O72 P24 Ru8 -","8","1","","Vereshchuk, Nataliia; Matheu, Roc; Benet-Buchholz, Jordi; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Tessier, Arnaud; Gimbert-Suriñach, Carolina; Ertem, Mehmed Z.; Llobet, Antoni","Second Coordination Sphere Effects in an Evolved Ru Complex Based on a Highly Adaptable Ligand Results in Rapid Water Oxidation Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11935","","","0.71073","MoKα","","0.048","0.0324","","","0.0711","0.0857","","","","","","1.068","","","","has coordinates","248858","2020-10-21","18:00:00",""
"4134335","15.8725","0.001","17.094","0.001","17.9384","0.0011","63.2183","0.0012","67.7101","0.0015","71.53","0.0014","3957.1","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H39 Cs3 N5 O16.5 P2 Ru -","- C26 H39 Cs2.9997 N5 O16.5 P2 Ru -","- C104 H156 Cs11.9988 N20 O66 P8 Ru4 -","4","2","","Vereshchuk, Nataliia; Matheu, Roc; Benet-Buchholz, Jordi; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Tessier, Arnaud; Gimbert-Suriñach, Carolina; Ertem, Mehmed Z.; Llobet, Antoni","Second Coordination Sphere Effects in an Evolved Ru Complex Based on a Highly Adaptable Ligand Results in Rapid Water Oxidation Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11935","","","0.71073","MoKα","","0.0624","0.0429","","","0.0971","0.1053","","","","","","1.043","","","","has coordinates,has disorder","248860","2020-10-21","18:00:00",""
"4134336","10.7907","0.0007","10.7907","0.0007","10.5055","0.0007","90","","90","","120","","1059.37","0.12","100","","100","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ir2 K3 O6 -","- Ir2 K3 O6 -","- Ir12 K18 O36 -","6","0.333333","","Guo, Shu; Zhong, Ruidan; Wang, Wei; Tao, Jing; Ni, Danrui; Cava, Robert J.","K<sub>3</sub>Ir<sub>2</sub>O<sub>6</sub> and K<sub>16.3</sub>Ir<sub>8</sub>O<sub>30</sub>, Low dimensional Iridates with Infinite IrO<sub>6</sub> Chains.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00849","","x-ray","0.71073","MoKα","","0.0295","0.0175","","","0.0314","0.0344","","","","","","1.062","","","","has coordinates","248862","2020-10-21","18:00:00",""
"4134337","10.8202","0.0006","10.8202","0.0006","10.5416","0.0006","90","","90","","120","","1068.83","0.1","290","","290","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ir2 K3 O6 -","- Ir2 K3 O6 -","- Ir12 K18 O36 -","6","0.333333","","Guo, Shu; Zhong, Ruidan; Wang, Wei; Tao, Jing; Ni, Danrui; Cava, Robert J.","K<sub>3</sub>Ir<sub>2</sub>O<sub>6</sub> and K<sub>16.3</sub>Ir<sub>8</sub>O<sub>30</sub>, Low dimensional Iridates with Infinite IrO<sub>6</sub> Chains.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00849","","x-ray","0.71073","MoKα","","0.0423","0.0195","","","0.0357","0.041","","","","","","1.083","","","","has coordinates","248863","2020-10-21","18:00:00",""
"4134338","5.8793","0.0003","19.4968","0.0009","15.2856","0.0007","90","","90","","90","","1752.15","0.14","290","","290","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ir8 K16.28 O30 -","- Ir8 K16.28 O30 -","- Ir16 K32.56 O60 -","2","0.125","","Guo, Shu; Zhong, Ruidan; Wang, Wei; Tao, Jing; Ni, Danrui; Cava, Robert J.","K<sub>3</sub>Ir<sub>2</sub>O<sub>6</sub> and K<sub>16.3</sub>Ir<sub>8</sub>O<sub>30</sub>, Low dimensional Iridates with Infinite IrO<sub>6</sub> Chains.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00849","","x-ray","0.71073","MoKα","","0.0296","0.0235","","","0.0554","0.0569","","","","","","1.184","","","","has coordinates","248864","2020-10-21","18:00:00",""
"4134339","10.3447","0.0004","11.486","0.0004","17.3882","0.0006","104.29","0.002","94.193","0.002","112.848","0.002","1811.71","0.12","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 F12 N9 P2 -","- C26 H27 F12 N9 P2 -","- C52 H54 F24 N18 P4 -","2","1","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","0.71073","MoKα","","0.0603","0.0516","","","0.1356","0.1422","","","","","","1.039","","","","has coordinates,has disorder","249081","2020-10-21","18:00:00",""
"4134340","10.4662","0.0005","11.0351","0.0005","17.4251","0.0008","74.161","0.0015","78.635","0.0015","65.16","0.001","1749.15","0.14","100","2","100.04","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H60 F24 N12 P4 -","- C72 H60 F24 N12 P4 -","- C72 H60 F24 N12 P4 -","1","0.5","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","1.54178","CuKα","","0.0457","0.0454","","","0.119","0.1191","","","","","","1.0535","","","","has coordinates,has disorder","249082","2020-10-21","18:00:00",""
"4134341","16.1323","0.0005","11.4829","0.0004","30.2137","0.0009","90","","101.49","0.002","90","","5484.8","0.3","100","2","100.04","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 F18 N12 P3 -","- C40 H40 F18 N12 P3 -","- C160 H160 F72 N48 P12 -","4","0.5","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","1.54178","CuKα","","0.0444","0.0405","","","0.106","0.1091","","","","","","1.059","","","","has coordinates,has disorder","249083","2020-10-21","18:00:00",""
"4134342","10.4268","0.0005","11.1641","0.0005","17.3653","0.0008","74.541","0.003","80.014","0.003","63.639","0.002","1742.14","0.14","102","2","101.92","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H58 F24 N12 P4 -","- C68 H58 F24 N12 P4 -","- C68 H58 F24 N12 P4 -","1","0.5","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","0.71073","MoKα","","0.0761","0.0609","","","0.1598","0.1699","","","","","","1.046","","","","has coordinates","249084","2020-10-21","18:00:00",""
"4134343","13.3898","0.0004","14.5809","0.0004","15.0625","0.0004","106.741","0.001","99.533","0.001","110.092","0.001","2527.68","0.13","100","2","99.97","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H39 F24 N9 P4 -","- C46 H39 F24 N9 P4 -","- C92 H78 F48 N18 P8 -","2","1","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","1.54178","CuKα","","0.0675","0.0607","","","0.1629","0.1704","","","","","","1.054","","","","has coordinates,has disorder","249085","2020-10-21","18:00:00",""
"4134344","7.8767","0.0006","9.0304","0.0008","14.5443","0.0012","75.627","0.004","82.233","0.004","82.011","0.004","986.95","0.14","100","2","100.06","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 F12 N6 P2 -","- C14 H14 F12 N6 P2 -","- C28 H28 F24 N12 P4 -","2","1","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","1.54178","CuKα","","0.0282","0.0277","","","0.0711","0.0714","","","","","","1.056","","","","has coordinates","249086","2020-10-21","18:00:00",""
"4134345","10.8276","0.0008","13.2652","0.0009","13.6121","0.001","81.996","0.003","89.523","0.003","67.586","0.003","1787.7","0.2","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 F24 N16 P4 -","- C68 H56 F24 N16 P4 -","- C68 H56 F24 N16 P4 -","1","0.5","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","1.54178","CuKα","","0.0523","0.0507","","","0.1388","0.1403","","","","","","1.069","","","","has coordinates","249087","2020-10-21","18:00:00",""
"4134346","17.462","0.0007","20.4049","0.0007","19.1126","0.0007","90","","90.954","0.002","90","","6809.1","0.4","100","2","100.05","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H53 F24 N19 P4 -","- C54 H53 F24 N19 P4 -","- C216 H212 F96 N76 P16 -","4","1","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","1.54178","CuKα","","0.0764","0.0628","","","0.1657","0.177","","","","","","1.045","","","","has coordinates","249088","2020-10-21","18:00:00",""
"4134347","10.8605","0.0004","13.1591","0.0005","13.4694","0.0005","81.307","0.002","87.8564","0.0018","67.7952","0.0017","1761.33","0.12","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H54 F24 N16 P4 -","- C64 H54 F24 N16 P4 -","- C64 H54 F24 N16 P4 -","1","0.5","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","1.54178","CuKα","","0.0689","0.0644","","","0.1789","0.1839","","","","","","1.03","","","","has coordinates,has disorder","249089","2020-10-21","18:00:00",""
"4134348","8.0722","0.0004","11.6849","0.0005","19.3159","0.0009","90","","90","","90","","1821.93","0.15","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","KMK-20190730","","","- C23 H21 B N2 O -","- C23 H21 B N2 O -","- C92 H84 B4 N8 O4 -","4","1","","Shirbhate, Mukesh Eknath; Kwon, Seongyeon; Song, Ayoung; Kim, Seungha; Kim, Dayeh; Huang, Haofei; Kim, Youngmee; Lee, Hanna; Kim, Sung-Jin; Baik, Mu-Hyun; Yoon, Juyoung; Kim, Kwan Mook","Optical and Fluorescent Dual Sensing of Aminoalcohols by in situ Generation of BODIPY-like Chromophore.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13232","","","0.71073","MoKα","","0.0643","0.041","","","0.0849","0.0958","","","","","","1.039","","","","has coordinates","249090","2020-10-21","18:00:00",""
"4134349","8.618","0.0003","8.9275","0.0003","15.835","0.0005","90","","95.723","0.002","90","","1212.23","0.07","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Cl2 I4 N2 Pb -","- C14 H18 Cl2 I4 N2 Pb -","- C28 H36 Cl4 I8 N4 Pb2 -","2","1","","Schmitt, Tanja; Bourelle, Sean; Tye, Nathaniel; Soavi, Giancarlo; Bond, Andrew D.; Feldmann, Sascha; Traore, Boubacar; Katan, Claudine; Even, Jacky; Dutton, Siân E; Deschler, Felix","Control of crystal symmetry breaking with halogen substituted benzylammonium in layered hybrid metal-halide perovskites.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11809","","","1.54178","CuKα","","0.0781","0.0698","","","0.2005","0.2107","","","","","","1.033","","","","has coordinates","249140","2020-10-21","18:00:00",""
"4134350","9.1437","0.0002","8.6684","0.0002","28.5984","0.0005","90","","90","","90","","2266.74","0.08","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Pb -","- C14 H20 I4 N2 Pb -","- C56 H80 I16 N8 Pb4 -","4","0.5","","Schmitt, Tanja; Bourelle, Sean; Tye, Nathaniel; Soavi, Giancarlo; Bond, Andrew D.; Feldmann, Sascha; Traore, Boubacar; Katan, Claudine; Even, Jacky; Dutton, Siân E; Deschler, Felix","Control of crystal symmetry breaking with halogen substituted benzylammonium in layered hybrid metal-halide perovskites.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11809","","","0.71073","MoKα","","0.0435","0.029","","","0.0523","0.0561","","","","","","1.048","","","","has coordinates","249141","2020-10-21","18:00:00",""
"4134351","8.6328","0.0002","8.9483","0.0002","15.9326","0.0004","90","","95.5588","0.0012","90","","1224.99","0.05","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Br2 I4 N2 Pb -","- C14 H18 Br2 I4 N2 Pb -","- C28 H36 Br4 I8 N4 Pb2 -","2","1","","Schmitt, Tanja; Bourelle, Sean; Tye, Nathaniel; Soavi, Giancarlo; Bond, Andrew D.; Feldmann, Sascha; Traore, Boubacar; Katan, Claudine; Even, Jacky; Dutton, Siân E; Deschler, Felix","Control of crystal symmetry breaking with halogen substituted benzylammonium in layered hybrid metal-halide perovskites.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11809","","","1.54178","CuKα","","0.0631","0.0583","","","0.1523","0.1576","","","","","","1.022","","","","has coordinates","249142","2020-10-21","18:00:00",""
"4134352","8.7325","0.0002","9.2819","0.0002","27.724","0.0006","90","","97.7423","0.0009","90","","2226.66","0.09","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 F2 I4 N2 Pb -","- C14 H18 F2 I4 N2 Pb -","- C56 H72 F8 I16 N8 Pb4 -","4","1","","Schmitt, Tanja; Bourelle, Sean; Tye, Nathaniel; Soavi, Giancarlo; Bond, Andrew D.; Feldmann, Sascha; Traore, Boubacar; Katan, Claudine; Even, Jacky; Dutton, Siân E; Deschler, Felix","Control of crystal symmetry breaking with halogen substituted benzylammonium in layered hybrid metal-halide perovskites.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11809","","","0.71073","MoKα","","0.093","0.0472","","","0.0903","0.1044","","","","","","0.996","","","","has coordinates","249143","2020-10-21","18:00:00",""
"4134353","10.73","0.002","11.645","0.003","17.343","0.003","92.598","0.007","95.124","0.007","109.713","0.008","2025.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","18085-ScL3","","","- C39 H63 N3 P3 Sc -","- C39 H63 N3 P3 Sc -","- C78 H126 N6 P6 Sc2 -","2","1","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0476","0.0344","","","0.0725","0.0775","","","","","","1.03","","","","has coordinates","249144","2020-10-21","18:00:00",""
"4134354","10.7947","0.0009","11.3362","0.0011","18.6897","0.0019","91.847","0.003","92.356","0.002","117.344","0.002","2026.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","18085-YL3","","","- C39 H63 N3 P3 Y -","- C39 H63 N3 P3 Y -","- C78 H126 N6 P6 Y2 -","2","1","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0544","0.0399","","","0.0917","0.0966","","","","","","1.073","","","","has coordinates","249144","2020-10-21","18:00:00",""
"4134355","10.4219","0.0003","11.1063","0.0003","19.6256","0.0006","83.95","0.001","82.092","0.001","65.724","0.001","2048.08","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","19027-La","","","- C39 H63 La N3 P3 -","- C39 H63 La N3 P3 -","- C78 H126 La2 N6 P6 -","2","1","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0245","0.0209","","","0.0459","0.0482","","","","","","1.052","","","","has coordinates,has disorder","249144","2020-10-21","18:00:00",""
"4134356","13.807","0.005","13.807","0.005","25.285","0.009","90","","90","","120","","4174","3","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","18083-Ni(LiL)3","","","- C39 H63 Li3 N3 Ni P3 -","- C39 H63 Li3 N3 Ni P3 -","- C156 H252 Li12 N12 Ni4 P12 -","4","0.333333","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0572","0.038","","","0.075","0.0814","","","","","","1.1","","","","has coordinates","249144","2020-10-21","18:00:00",""
"4134357","14.7276","0.0006","14.7276","0.0006","34.9107","0.0017","90","","90","","120","","6557.7","0.5","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","17066-NiScL3","","","- C39 H63 N3 Ni P3 Sc -","- C39 H63 N3 Ni P3 Sc -","- C234 H378 N18 Ni6 P18 Sc6 -","6","0.333333","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0493","0.0348","","","0.0794","0.086","","","","","","1.017","","","","has coordinates","249144","2020-10-21","18:00:00",""
"4134358","12.8967","0.0005","14.0478","0.0005","25.5457","0.0009","90","","95.017","0.001","90","","4610.4","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","17165-NiYL3","","","- C46 H71 N3 Ni P3 Y -","- C46 H71 N3 Ni P3 Y -","- C184 H284 N12 Ni4 P12 Y4 -","4","1","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.1066","0.0465","","","0.0753","0.0891","","","","","","1.005","","","","has coordinates,has disorder","249144","2020-10-21","18:00:00",""
"4134359","20.8114","0.0005","20.8114","0.0005","20.8114","0.0005","90","","90","","90","","9013.7","0.4","125","2","125","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","19023-NiLa","","","- C39 H63 La N3 Ni P3 -","- C39 H63 La N3 Ni P3 -","- C312 H504 La8 N24 Ni8 P24 -","8","0.333333","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0382","0.0301","","","0.0613","0.0657","","","","","","1.21","","","","has coordinates","249144","2020-10-21","18:00:00",""
"4134360","21.2562","0.0012","10.018","0.0006","39.979","0.002","90","","90.336","0.002","90","","8513.2","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","19023-NiLa_monoclinic","","","- C42.5 H67 La N3 Ni P3 -","- C42.5 H67 La N3 Ni P3 -","- C340 H536 La8 N24 Ni8 P24 -","8","1","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0327","0.0248","","","0.0455","0.0486","","","","","","1.118","","","","has coordinates,has disorder","249144","2020-10-21","18:00:00",""
"4134361","12.6","0.008","18.048","0.007","19.885","0.007","65.539","0.006","88.58","0.02","79.34","0.02","4038","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","18007-NiGaL3","","","- C39 H63 Ga N3 Ni P3 -","- C39 H63 Ga N3 Ni P3 -","- C156 H252 Ga4 N12 Ni4 P12 -","4","2","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0557","0.0336","","","0.0738","0.0822","","","","","","1.015","","","","has coordinates","249144","2020-10-21","18:00:00",""
"4134362","19.7163","0.0005","11.118","0.0003","49.2039","0.0013","90","","98.286","0.001","90","","10673.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","18088-DPA-NiYL3","","","- C53 H73 N3 Ni P3 Y -","- C53 H73 N3 Ni P3 Y -","- C424 H584 N24 Ni8 P24 Y8 -","8","2","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0591","0.0426","","","0.0838","0.089","","","","","","1.069","","","","has coordinates,has disorder","249144","2020-10-21","18:00:00",""
"4134363","10.9384","0.0004","12.4594","0.0004","20.0961","0.0007","93.422","0.001","92.566","0.001","114.571","0.001","2479.05","0.15","126","2","126","2","","","","","","","","7","P -1","-P 1","2","17034_NiYL3THF","","","- C43 H71 N3 Ni O P3 Y -","- C43 H71 N3 Ni O P3 Y -","- C86 H142 N6 Ni2 O2 P6 Y2 -","2","1","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0465","0.0287","","","0.0626","0.0674","","","","","","1.024","","","","has coordinates,has disorder","249144","2020-10-21","18:00:00",""
"4134364","12.0579","0.0003","6.4915","0.0002","13.4589","0.0004","90","","108.766","0.003","90","","997.48","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H15 Cl I N O -","- C7 H15 Cl I N O -","- C28 H60 Cl4 I4 N4 O4 -","4","1","","Prusinowski, Allen F.; Twumasi, Raymond K.; Wappes, Ethan A.; Nagib, David A.","<i>Vicinal</i>, Double C-H Functionalization of Alcohols via an Imidate Radical-Polar Crossover Cascade.","Journal of the American Chemical Society","2020","142","11","5429","5438","10.1021/jacs.0c01318","","","0.71073","MoKα","","0.0224","0.0211","","","0.0542","0.0548","","","","","","1.056","","","","has coordinates","250071","2020-10-21","18:00:00",""
"4134365","5.7822","0.0005","14.207","0.0011","26.733","0.002","90","","90","","90","","2196.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O6 -","- C24 H34 O6 -","- C96 H136 O24 -","4","1","","Wang, Yu; Chen, Bo; He, Xubiao; Gui, Jinghan","Bioinspired Synthesis of Nortriterpenoid Propindilactone G.","Journal of the American Chemical Society","2020","142","11","5007","5012","10.1021/jacs.0c00363","","","1.54178","CuKα","","0.093","0.0805","","","0.2093","0.227","","","","","","1.037","","","","has coordinates","250072","2020-10-21","18:00:00",""
"4134366","6.221","0.0004","18.4005","0.0011","20.3992","0.0015","90","","90","","90","","2335.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 O7 -","- C24 H38 O7 -","- C96 H152 O28 -","4","1","","Wang, Yu; Chen, Bo; He, Xubiao; Gui, Jinghan","Bioinspired Synthesis of Nortriterpenoid Propindilactone G.","Journal of the American Chemical Society","2020","142","11","5007","5012","10.1021/jacs.0c00363","","","1.54178","CuKα","","0.1384","0.0667","","","0.1709","0.2302","","","","","","1.044","","","","has coordinates","250072","2020-10-21","18:00:00",""
"4134367","16.6714","0.0007","18.9511","0.0008","8.8285","0.0004","90","","96.389","0.002","90","","2772","0.2","112","1","112","1","","","","","","","see text","5","C 1 c 1","C -2yc","9","Lain33_nnBuDiPyNaph","N,N'-(n-butyl)-1,8-di(pyrid-4-ylium)naphtalene bis(hexafluorophosphate)","","- C26 H25 F12 N3 P2 -","- C26 H25 F12 N3 P2 -","- C104 H100 F48 N12 P8 -","4","1","","Gosset, Alexis; Wilbraham, Liam; Lachmanova, Stepanka Novakova; Sokolova, Romana; Dupeyre, Grégory; Tuyèras, Fabien; Ochsenbein, Philippe; Perruchot, Christian; Jacquot de Rouville, Henri-Pierre; Randriamahazaka, Hyacinthe; Pospisil, Lubomir; Ciofini, Ilaria; Hromadová, Magdaléna; Lainé, Philippe P","Electron Storage System Based on a Two-Way Inversion of Redox Potentials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12762","","x-ray","1.54178","CuKα","","0.0275","0.0271","","","0.0724","0.0727","","","","","","1.134","","","","has coordinates","249205","2020-10-21","18:00:00",""
"4134368","27.9293","0.0013","10.4396","0.0005","18.2519","0.0008","90","","90","","90","","5321.7","0.4","113","1","113","1","","","","","","","see text","5","P n a 21","P 2c -2n","33","1,8-di(N-methylpyrid-4-ylium)naphthalene hexafluorophosphate","1,8-di(N-methylpyrid-4-ylium)naphthalene hexafluorophosphate","","- C24 H23 F12 N3 P2 -","- C24 H23 F12 N3 P2 -","- C192 H184 F96 N24 P16 -","8","2","","Gosset, Alexis; Wilbraham, Liam; Lachmanova, Stepanka Novakova; Sokolova, Romana; Dupeyre, Grégory; Tuyèras, Fabien; Ochsenbein, Philippe; Perruchot, Christian; Jacquot de Rouville, Henri-Pierre; Randriamahazaka, Hyacinthe; Pospisil, Lubomir; Ciofini, Ilaria; Hromadová, Magdaléna; Lainé, Philippe P","Electron Storage System Based on a Two-Way Inversion of Redox Potentials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12762","","x-ray","0.71073","MoKα","","0.0545","0.0471","","","0.1452","0.1538","","","","","","1.672","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4134369","12.6866","0.0005","8.5079","0.0004","18.5222","0.0008","90","","99.9723","0.0008","90","","1969.01","0.15","113","1","113","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","1-phenyl-8-(N-methylpyrid-4-ylium)naphthalene hexafluorophosphate","1-phenyl-8-(N-methylpyrid-4-ylium)naphthalene hexafluorophosphate","","- C22 H18 F6 N P -","- C22 H18 F6 N P -","- C88 H72 F24 N4 P4 -","4","1","","Gosset, Alexis; Wilbraham, Liam; Lachmanova, Stepanka Novakova; Sokolova, Romana; Dupeyre, Grégory; Tuyèras, Fabien; Ochsenbein, Philippe; Perruchot, Christian; Jacquot de Rouville, Henri-Pierre; Randriamahazaka, Hyacinthe; Pospisil, Lubomir; Ciofini, Ilaria; Hromadová, Magdaléna; Lainé, Philippe P","Electron Storage System Based on a Two-Way Inversion of Redox Potentials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12762","","x-ray","0.71073","MoKα","","0.0674","0.0532","","","0.1439","0.1593","","","","","","1.262","","","","has coordinates","249207","2020-10-21","18:00:00",""
"4134370","11.02997","0.00009","5.8365","0.00006","21.1485","0.0002","90","","92.4068","0.0008","90","","1360.26","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","Ociepa, Micha; Wierzba, Aleksandra J.; Turkowska, Joanna; Gryko, Dorota","Polarity-Reversal Strategy for Functionalization of Electrophilic Strained Molecules via Light-Driven Cobalt Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00245","","","1.54184","","","0.0323","0.0315","","","","0.0836","","","","","","1.0347","","","","has coordinates","249208","2020-10-21","18:00:00",""
"4134371","9.5732","0.0002","12.8414","0.0003","13.5828","0.0002","95.53","0.002","105.779","0.002","100.114","0.002","1563.48","0.06","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C62 H84 Cl Co N4 O20 S -","- C62 H84 Cl Co N4 O20 S -","- C62 H84 Cl Co N4 O20 S -","1","1","","Ociepa, Micha; Wierzba, Aleksandra J.; Turkowska, Joanna; Gryko, Dorota","Polarity-Reversal Strategy for Functionalization of Electrophilic Strained Molecules via Light-Driven Cobalt Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00245","","","0.71073","MoKα","","0.0343","0.0315","","","0.0716","0.0734","","","","","","1.019","","","","has coordinates","249209","2020-10-21","18:00:00",""
"4134372","13.2381","0.0011","13.2381","0.0011","4.0646","0.0003","90","","90","","90","","712.31","0.1","200","2","200","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Cs Cu5 Se3 -","- Cs Cu5 Se3 -","- Cs4 Cu20 Se12 -","4","0.25","","Ma, Ni; Li, Yan-Yan; Chen, Ling; Wu, Li-Ming","α-CsCu<sub>5</sub>Se<sub>3</sub>: Discovery of a Low-Cost Bulk Selenide with High Thermoelectric Performance.","Journal of the American Chemical Society","2020","142","11","5293","5303","10.1021/jacs.0c00062","","","0.71073","MoKα","","0.0872","0.0653","","","0.1351","0.1435","","","","","","1.232","","","","has coordinates","250068","2020-10-21","18:00:00",""
"4134373","13.2692","0.0007","13.2692","0.0007","4.0748","0.0003","90","","90","","90","","717.46","0.08","293","2","293","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Cs Cu5 Se3 -","- Cs Cu5 Se3 -","- Cs4 Cu20 Se12 -","4","0.25","","Ma, Ni; Li, Yan-Yan; Chen, Ling; Wu, Li-Ming","α-CsCu<sub>5</sub>Se<sub>3</sub>: Discovery of a Low-Cost Bulk Selenide with High Thermoelectric Performance.","Journal of the American Chemical Society","2020","142","11","5293","5303","10.1021/jacs.0c00062","","","0.71073","MoKα","","0.0549","0.0468","","","0.1173","0.1237","","","","","","1.079","","","","has coordinates","250068","2020-10-21","18:00:00",""
"4134374","13.2026","0.0012","13.2026","0.0012","4.0499","0.0003","90","","90","","90","","705.93","0.1","100","2","100","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Cs Cu5 Se3 -","- Cs Cu5 Se3 -","- Cs4 Cu20 Se12 -","4","0.25","","Ma, Ni; Li, Yan-Yan; Chen, Ling; Wu, Li-Ming","α-CsCu<sub>5</sub>Se<sub>3</sub>: Discovery of a Low-Cost Bulk Selenide with High Thermoelectric Performance.","Journal of the American Chemical Society","2020","142","11","5293","5303","10.1021/jacs.0c00062","","","0.71073","MoKα","","0.0717","0.0518","","","0.0941","0.1042","","","","","","1.124","","","","has coordinates","250068","2020-10-21","18:00:00",""
"4134375","12.723","0.003","12.723","0.003","25.81","0.007","90","","90","","120","","3618.2","1.6","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H50 Cu6 N6 O34.47 S8 -","- C12 H50 Cu6 N6 O34.474 S8 -","- C36 H150 Cu18 N18 O103.422 S24 -","3","0.166667","","Sorolla, 2nd, Maurice; Wang, Xiqu; Koo, Hyun-Joo; Whangbo, Myung-Hwan; Jacobson, Allan J.","Synthesis of the Elusive <i>S</i> = <sup>1</sup>/<sub>2</sub> Star Structure: A Possible Quantum Spin Liquid Candidate.","Journal of the American Chemical Society","2020","142","11","5013","5016","10.1021/jacs.0c00901","","","0.71073","MoKα","","0.0288","0.0258","","","0.0686","0.0699","","","","","","1.223","","","","has coordinates,has disorder","250070","2020-10-21","18:00:00",""
"4134376","32.134","0.005","5.583","0.0004","20.509","0.003","90","","109.643","0.007","90","","3465.3","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Marek147 (Veeru)","","","- C18 H25 F O2 -","- C18 H25 F O2 -","- C144 H200 F8 O16 -","8","1","","Lanke, Veeranjaneyulu; Marek, Ilan","Nucleophilic Substitution at Quaternary Carbon Stereocenters.","Journal of the American Chemical Society","2020","142","12","5543","5548","10.1021/jacs.0c01133","","","0.71073","MoKα","","0.161","0.0827","","","0.1537","0.1804","","","","","","1.057","","","","has coordinates","250081","2020-10-21","18:00:00",""
"4134377","5.893","0.004","9.976","0.007","13.552","0.006","108.412","0.002","94.764","0.001","104.611","0.003","719.9","0.8","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Marek155b (Veeru)","","","- C30 H44 F2 O4 -","- C30 H44 F2 O4 -","- C30 H44 F2 O4 -","1","0.5","","Lanke, Veeranjaneyulu; Marek, Ilan","Nucleophilic Substitution at Quaternary Carbon Stereocenters.","Journal of the American Chemical Society","2020","142","12","5543","5548","10.1021/jacs.0c01133","","","0.71073","MoKα","","0.0822","0.051","","","0.1196","0.1332","","","","","","1.017","","","","has coordinates","250081","2020-10-21","18:00:00",""
"4134378","8.8382","0.0007","15.3641","0.0016","28.9948","0.0019","92.772","0.006","97.63","0.003","96.14","0.004","3872.2","0.6","152","2","152.1","","","","","","","","","6","P -1","-P 1","2","","","","- C168 H198 Cl4 Ge4 N16 O -","- C168 H198 Cl4 Ge4 N16 O -","- C168 H198 Cl4 Ge4 N16 O -","1","0.5","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.1007","0.0838","","","0.197","0.2073","","","","","","1.071","","","","has coordinates,has disorder","250073","2020-10-21","18:00:00",""
"4134379","8.939","0.0018","17.513","0.004","26.736","0.005","90","","97.91","0.03","90","","4145.7","1.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H46 Cl4 Ge2 N4 -","- C41 H46 Cl4 Ge2 N4 -","- C164 H184 Cl16 Ge8 N16 -","4","1","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.68879","synchrotron","","0.0738","0.0705","","","0.2508","0.2576","","","","","","1.017","","","","has coordinates","250073","2020-10-21","18:00:00",""
"4134380","9.0522","0.0006","12.8275","0.0009","25.9222","0.0019","85.175","0.003","82.476","0.003","78.104","0.003","2914.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H50 Cl12 Ge N4 O4 -","- C55 H50 Cl12 Ge N4 O4 -","- C110 H100 Cl24 Ge2 N8 O8 -","2","1","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.0658","0.053","","","0.1112","0.1174","","","","","","1.067","","","","has coordinates","250073","2020-10-21","18:00:00",""
"4134381","27.994","0.004","8.6238","0.0012","40.445","0.006","90","","109.698","0.011","90","","9193","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H52 F5 Ge N5 -","- C52 H52 F5 Ge N5 -","- C416 H416 F40 Ge8 N40 -","8","1","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.1306","0.0593","","","0.106","0.1258","","","","","","1.011","","","","has coordinates","250073","2020-10-21","18:00:00",""
"4134382","11.1696","0.0006","18.5499","0.001","22.1637","0.0011","75.451","0.002","77.193","0.002","74.606","0.003","4226","0.4","150","2","150.02","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H51 Ge I N4 -","- C47 H51 Ge I N4 -","- C188 H204 Ge4 I4 N16 -","4","2","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.0744","0.0532","","","0.1","0.1082","","","","","","1.152","","","","has coordinates","250073","2020-10-21","18:00:00",""
"4134383","13.9768","0.0002","14.7308","0.0003","22.7506","0.0004","90","","91.163","0.001","90","","4683.14","0.14","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H58 Ge N4 -","- C53 H58 Ge N4 -","- C212 H232 Ge4 N16 -","4","1","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.0547","0.0347","","","0.0814","0.09","","","","","","1.018","","","","has coordinates,has disorder","250073","2020-10-21","18:00:00",""
"4134384","15.2401","0.0004","15.6758","0.0002","15.7321","0.0004","64.493","0.003","76.63","0.004","65.59","0.004","3082.38","0.17","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C96 H180 Ce6 O40 -","- C96 H180 Ce6 O40 -","- C96 H180 Ce6 O40 -","1","0.5","","Shirase, Satoru; Tamaki, Sota; Shinohara, Koichi; Hirosawa, Keishi; Tsurugi, Hayato; Satoh, Tetsuya; Mashima, Kazushi","Cerium(IV) Carboxylate Photocatalyst for Catalytic Radical Formation from Carboxylic Acids: Decarboxylative Oxygenation of Aliphatic Carboxylic Acids and Lactonization of Aromatic Carboxylic Acids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12918","","","0.71075","MoKα","","0.0399","0.0365","","","0.1016","0.1033","","","","","","1.096","","","","has coordinates,has disorder","249295","2020-10-21","18:00:00",""
"4134385","19.931","0.002","5.9364","0.0007","27.721","0.003","90","","104.107","0.002","90","","3181","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 Br2 N O2 -","- C22 H25 Br2 N O2 -","- C132 H150 Br12 N6 O12 -","6","3","","Lin, Yingfu; Hirschi, William J.; Kunadia, Anuj; Paul, Anirudra; Ghiviriga, Ion; Abboud, Khalil A.; Karugu, Rachael W.; Vetticatt, Mathew J.; Hirschi, Jennifer S.; Seidel, Daniel","A Selenourea-Thiourea Brønsted Acid Catalyst Facilitates Asymmetric Conjugate Additions of Amines to α,β-Unsaturated Esters.","Journal of the American Chemical Society","2020","142","12","5627","5635","10.1021/jacs.9b12457","","","0.71073","MoKα","","0.0609","0.0586","","","0.1215","0.1223","","","","","","1.196","","","","has coordinates","250079","2020-10-21","18:00:00",""
"4134386","15.8094","0.0012","9.1663","0.0006","18.1044","0.0011","90","","107.105","0.002","90","","2507.5","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N5 Ni O -","- C30 H29 N5 Ni O -","- C120 H116 N20 Ni4 O4 -","4","1","","Truesdell, Blaise L.; Hamby, Taylor B.; Sevov, Christo S.","General C(sp<sup>2</sup>)-C(sp<sup>3</sup>) Cross-Electrophile Coupling Reactions Enabled by Overcharge Protection of Homogeneous Electrocatalysts.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01475","","x-ray","0.71073","MoKα","","0.0798","0.0488","","","0.0992","0.1105","","","","","","1.057","","","","has coordinates,has disorder","249297","2020-10-21","18:00:00",""
"4134387","22.4784","0.0003","24.2398","0.0003","25.1777","0.0003","90","","90","","90","","13718.6","0.3","140","0.1","140","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C77 H67.5 N2.5 O4 Pr Si4 -","- C77 H67.5 N2.5 O4 Pr Si4 -","- C616 H540 N20 O32 Pr8 Si32 -","8","2","","Willauer, Aurélien R; Palumbo, Chad T.; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Douair, Iskander; Maron, Laurent; Mazzanti, Marinella","Accessing the +IV Oxidation State in Molecular Complexes of Praseodymium.","Journal of the American Chemical Society","2020","142","12","5538","5542","10.1021/jacs.0c01204","","x-ray","0.71073","MoKα","","0.0472","0.0406","","","0.1008","0.1075","","","","","","1.076","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4134388","13.1036","0.0008","14.9076","0.001","22.4578","0.0012","83.344","0.005","81.037","0.005","64.588","0.006","3908.2","0.5","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C84 H84 K O7 Pr Si4 -","- C84 H84 K O7 Pr Si4 -","- C168 H168 K2 O14 Pr2 Si8 -","2","1","","Willauer, Aurélien R; Palumbo, Chad T.; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Douair, Iskander; Maron, Laurent; Mazzanti, Marinella","Accessing the +IV Oxidation State in Molecular Complexes of Praseodymium.","Journal of the American Chemical Society","2020","142","12","5538","5542","10.1021/jacs.0c01204","","x-ray","1.54184","CuKα","","0.1321","0.1108","","","0.2981","0.3102","","","","","","1.133","","","","has coordinates,has disorder","250080","2020-10-21","18:00:00",""
"4134389","25.6668","0.0003","15.04611","0.00014","33.6749","0.0003","90","","95.9196","0.0009","90","","12935.4","0.2","139.99","0.1","139.99","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H198 Cl3 K3 O26 Pr2 Si10 -","- C84 H198 Cl3 K3 O26 Pr2 Si10 -","- C336 H792 Cl12 K12 O104 Pr8 Si40 -","4","0.5","","Willauer, Aurélien R; Palumbo, Chad T.; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Douair, Iskander; Maron, Laurent; Mazzanti, Marinella","Accessing the +IV Oxidation State in Molecular Complexes of Praseodymium.","Journal of the American Chemical Society","2020","142","12","5538","5542","10.1021/jacs.0c01204","","x-ray","1.54184","CuKα","","0.0439","0.0433","","","0.1131","0.1136","","","","","","1.123","","","","has coordinates,has disorder","250080","2020-10-21","18:00:00",""
"4134390","13.6969","0.0003","5.6945","0.0001","22.0831","0.0006","90","","93.3","0.001","90","","1719.56","0.07","163","2","163.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 I N -","- C19 H22 I N -","- C76 H88 I4 N4 -","4","1","","Cong, Xuefeng; Zhan, Gu; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Diastereodivergent [3 + 2] Annulation of Aromatic Aldimines with Alkenes via C-H Activation by Half-Sandwich Rare-Earth Catalysts.","Journal of the American Chemical Society","2020","142","12","5531","5537","10.1021/jacs.0c01171","","","0.71073","MoKα","","0.018","0.0173","","","0.0422","0.0426","","","","","","1.109","","","","has coordinates","250075","2020-10-21","18:00:00",""
"4134391","8.8516","0.0012","9.0513","0.0012","13.0251","0.0018","92.455","0.004","108.753","0.004","115.373","0.004","872.7","0.2","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 I N -","- C19 H22 I N -","- C38 H44 I2 N2 -","2","1","","Cong, Xuefeng; Zhan, Gu; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Diastereodivergent [3 + 2] Annulation of Aromatic Aldimines with Alkenes via C-H Activation by Half-Sandwich Rare-Earth Catalysts.","Journal of the American Chemical Society","2020","142","12","5531","5537","10.1021/jacs.0c01171","","","0.71073","MoKα","","0.0368","0.034","","","0.0909","0.0931","","","","","","1.047","","","","has coordinates","250075","2020-10-21","18:00:00",""
"4134392","35.2184","0.0004","33.427","0.0004","37.3137","0.0004","90","","95.8588","0.001","90","","43697.9","0.9","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C724 H819 B48 Cl8 F192 N97 O110 Pd24 -","- C724 H819 B48 Cl8 F192 N97 O110 Pd24 -","- C1448 H1638 B96 Cl16 F384 N194 O220 Pd48 -","2","0.5","","Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto","A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition.","Journal of the American Chemical Society","2020","142","12","5504","5508","10.1021/jacs.0c00459","","","1.54178","CuKα","","0.2005","0.0905","","","0.2412","0.3146","","","","","","0.979","","","","has coordinates,has disorder","250083","2020-10-21","18:00:00",""
"4134393","10.02","0.002","11.554","0.002","16.035","0.003","74.125","0.003","84.067","0.003","85.833","0.003","1774.1","0.6","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O6 -","- C21 H18 O6 -","- C84 H72 O24 -","4","2","","Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto","A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition.","Journal of the American Chemical Society","2020","142","12","5504","5508","10.1021/jacs.0c00459","","","0.71073","MoKα","","0.1","0.0678","","","0.1853","0.2057","","","","","","1.053","","","","has coordinates","250083","2020-10-21","18:00:00",""
"4134394","40.908","0.011","40.908","0.011","28.479","0.008","90","","90","","90","","47659","2","90","2","90","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C713.58 H804.32 N114.89 O350.35 Pd24 -","- C713.576 H804.32 N114.888 O350.346 Pd23.992 -","- C1427.15 H1608.64 N229.776 O700.693 Pd47.984 -","2","0.125","","Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto","A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition.","Journal of the American Chemical Society","2020","142","12","5504","5508","10.1021/jacs.0c00459","","","0.71073","MoKα","","0.1422","0.0858","","","0.2218","0.2719","","","","","","1.013","","","","has coordinates,has disorder","250083","2020-10-21","18:00:00",""
"4134395","9.2394","0.0013","16.054","0.002","13.4313","0.0018","90","","104.686","0.009","90","","1927.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H36 B N O3 -","- C17 H36 B N O3 -","- C68 H144 B4 N4 O12 -","4","1","","Hari, Durga Prasad; Abell, Joseph C.; Fasano, Valerio; Aggarwal, Varinder K.","Ring-Expansion Induced 1,2-Metalate Rearrangements: Highly Diastereoselective Synthesis of Cyclobutyl Boronic Esters.","Journal of the American Chemical Society","2020","142","12","5515","5520","10.1021/jacs.0c00813","","","0.71073","MoKα","","0.1097","0.0548","","","0.1148","0.1371","","","","","","1.02","","","","has coordinates","250076","2020-10-21","18:00:00",""
"4134396","16.8872","0.0012","9.0985","0.0006","14.5635","0.001","90","","102.237","0.001","90","","2186.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 B Cl0.74 I0.26 N O2 -","- C20 H33 B Cl0.7435 I0.2565 N O2 -","- C80 H132 B4 Cl2.974 I1.026 N4 O8 -","4","1","","Hari, Durga Prasad; Abell, Joseph C.; Fasano, Valerio; Aggarwal, Varinder K.","Ring-Expansion Induced 1,2-Metalate Rearrangements: Highly Diastereoselective Synthesis of Cyclobutyl Boronic Esters.","Journal of the American Chemical Society","2020","142","12","5515","5520","10.1021/jacs.0c00813","","","0.71073","MoKα","","0.0556","0.0366","","","0.0828","0.0902","","","","","","1.028","","","","has coordinates,has disorder","250076","2020-10-21","18:00:00",""
"4134397","7.4511","0.001","12.8249","0.001","18.6937","0.001","90","","94.11","0.01","90","","1781.8","0.3","100.02","0.1","100.02","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl Rh -","- C20 H26 Cl Rh -","- C80 H104 Cl4 Rh4 -","4","1","","Harris, Robert J.; Park, Jiyong; Nelson, Taylor A. F.; Iqbal, Nafees; Salgueiro, Daniel C.; Bacsa, John; MacBeth, Cora E.; Baik, Mu-Hyun; Blakey, Simon B.","The Mechanism of Rhodium-Catalyzed Allylic C-H Amination.","Journal of the American Chemical Society","2020","142","12","5842","5851","10.1021/jacs.0c01069","","x-ray","0.71073","MoKα","","0.0221","0.0201","","","0.0477","0.0482","","","","","","1.197","","","","has coordinates","250078","2020-10-21","18:00:00",""
"4134398","9.0845","0.00013","26.7256","0.0004","10.28003","0.00015","90","","94.911","0.0013","90","","2486.71","0.06","102","4","102","4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 N O2 Rh S -","- C27 H34 N O2 Rh S -","- C108 H136 N4 O8 Rh4 S4 -","4","1","","Harris, Robert J.; Park, Jiyong; Nelson, Taylor A. F.; Iqbal, Nafees; Salgueiro, Daniel C.; Bacsa, John; MacBeth, Cora E.; Baik, Mu-Hyun; Blakey, Simon B.","The Mechanism of Rhodium-Catalyzed Allylic C-H Amination.","Journal of the American Chemical Society","2020","142","12","5842","5851","10.1021/jacs.0c01069","","x-ray","0.71073","MoKα","","0.0334","0.0269","","","0.0666","0.0689","","","","","","1.035","","","","has coordinates","250078","2020-10-21","18:00:00",""
"4134399","7.2611","0.0002","14.6975","0.0003","18.0948","0.0005","90","","95.564","0.002","90","","1921.98","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 O2 Rh -","- C22 H29 O2 Rh -","- C88 H116 O8 Rh4 -","4","1","","Harris, Robert J.; Park, Jiyong; Nelson, Taylor A. F.; Iqbal, Nafees; Salgueiro, Daniel C.; Bacsa, John; MacBeth, Cora E.; Baik, Mu-Hyun; Blakey, Simon B.","The Mechanism of Rhodium-Catalyzed Allylic C-H Amination.","Journal of the American Chemical Society","2020","142","12","5842","5851","10.1021/jacs.0c01069","","x-ray","0.71073","MoKα","","0.0371","0.028","","","0.0624","0.0649","","","","","","1.049","","","","has coordinates","250078","2020-10-21","18:00:00",""
"4134400","6.4403","0.0007","17.4163","0.0019","16.7694","0.0018","90","","92.659","0.0015","90","","1878.9","0.4","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](AsF6)0.50(SbF6)0.50","","","- C14 H22 As0.5 Au F6 N2 Sb0.5 -","- C14 H22 As0.534 Au F6 N2 Sb0.466 -","- C56 H88 As2.136 Au4 F24 N8 Sb1.864 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0245","0.0185","","","0.0392","0.0416","","","","","","1.031","","","","has coordinates,has disorder","249360","2020-10-21","18:00:00",""
"4134401","6.3789","0.0007","17.039","0.002","16.73","0.002","90","","92.689","0.004","90","","1816.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.75(AsF6)0.25","","","- C14 H22 As0.24 Au F6 N2 P0.76 -","- C14 H22 As0.2433 Au F6 N2 P0.7567 -","- C56 H88 As0.9732 Au4 F24 N8 P3.0268 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0304","0.0241","","","0.0613","0.0648","","","","","","1.132","","","","has coordinates,has disorder","249361","2020-10-21","18:00:00",""
"4134402","24.761","0.003","25.651","0.003","12.0706","0.0014","90","","97.011","0.002","90","","7609.2","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](SbF6)","","","- C14 H22 Au F6 N2 Sb -","- C14 H22 Au F6 N2 Sb -","- C224 H352 Au16 F96 N32 Sb16 -","16","4","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0805","0.0572","","","0.1296","0.1444","","","","","","1.107","","","","has coordinates,has disorder","249362","2020-10-21","18:00:00",""
"4134403","6.393","0.0006","17.1419","0.0016","16.7199","0.0015","90","","92.647","0.001","90","","1830.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.25(AsF6)0.75","","","- C14 H22 As0.75 Au F6 N2 P0.25 -","- C14 H22 As0.729 Au F6 N2 P0.271 -","- C56 H88 As2.916 Au4 F24 N8 P1.084 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0288","0.0241","","","0.0611","0.0632","","","","","","1.236","","","","has coordinates,has disorder","249363","2020-10-21","18:00:00",""
"4134404","6.3866","0.0007","17.0703","0.0017","16.7356","0.0016","90","","92.664","0.004","90","","1822.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.50(AsF6)0.50","","","- C14 H22 As0.5 Au F6 N2 P0.5 -","- C14 H22 As0.485 Au F6 N2 P0.515 -","- C56 H88 As1.94 Au4 F24 N8 P2.06 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0348","0.0278","","","0.0768","0.0821","","","","","","1.079","","","","has coordinates,has disorder","249364","2020-10-21","18:00:00",""
"4134405","6.3728","0.0009","17.043","0.002","16.739","0.002","90","","92.66","0.002","90","","1816.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.75(AsF6)0.25","","","- C14 H22 As0.23 Au F6 N2 P0.77 -","- C14 H22 As0.233 Au F6 N2 P0.767 -","- C56 H88 As0.932 Au4 F24 N8 P3.068 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0659","0.0313","","","0.0561","0.0648","","","","","","1.027","","","","has coordinates,has disorder","249365","2020-10-21","18:00:00",""
"4134406","6.385","0.0004","17.0891","0.0012","16.7204","0.0011","90","","92.686","0.001","90","","1822.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.50(AsF6)0.50","","","- C14 H22 As0.5 Au F6 N2 P0.5 -","- C14 H22 As0.474 Au F6 N2 P0.526 -","- C56 H88 As1.896 Au4 F24 N8 P2.104 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0336","0.0274","","","0.0802","0.0842","","","","","","1.149","","","","has coordinates,has disorder","249366","2020-10-21","18:00:00",""
"4134407","6.398","0.0006","17.152","0.002","16.741","0.002","90","","92.747","0.004","90","","1835","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.25(AsF6)0.75","","","- C14 H22 As0.74 Au F6 N2 P0.26 -","- C14 H22 As0.735 Au F6 N2 P0.265 -","- C56 H88 As2.94 Au4 F24 N8 P1.06 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0271","0.0222","","","0.0574","0.0595","","","","","","1.182","","","","has coordinates,has disorder","249367","2020-10-21","18:00:00",""
"4134408","6.3774","0.0005","17.0398","0.0013","16.7367","0.0013","90","","92.728","0.002","90","","1816.7","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.75(AsF6)0.25","","","- C14 H22 As0.24 Au F6 N2 P0.76 -","- C14 H22 As0.244 Au F6 N2 P0.756 -","- C56 H88 As0.976 Au4 F24 N8 P3.024 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.033","0.025","","","0.0661","0.0705","","","","","","1.127","","","","has coordinates,has disorder","249368","2020-10-21","18:00:00",""
"4134409","6.415","0.0007","17.2744","0.0019","16.7207","0.0018","90","","92.713","0.002","90","","1850.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.50(SbF6)0.50","","","- C14 H22 Au F6 N2 P0.5 Sb0.5 -","- C14 H22 Au F6 N2 P0.5084 Sb0.4916 -","- C56 H88 Au4 F24 N8 P2.0336 Sb1.9664 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0289","0.0229","","","0.0728","0.0768","","","","","","1.076","","","","has coordinates,has disorder","249369","2020-10-21","18:00:00",""
"4134410","23.5179","0.0018","41.767","0.004","43.084","0.004","84.628","0.005","89.02","0.005","79.679","0.005","41453","6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C166 H164 N24 O24 Se8 -","- C166 H163.75 N24 O24 Se8 -","- C1328 H1310 N192 O192 Se64 -","8","4","","Rahman, Faiz-Ur; Tzeli, Demeter; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula; Ballester, Pablo; Rebek, Jr, Julius; Yu, Yang","Chalcogen Bonding and Hydrophobic Effects Force Molecules into Small Spaces.","Journal of the American Chemical Society","2020","142","12","5876","5883","10.1021/jacs.0c01290","","","1.34139","GaKα","","0.2449","0.1521","","","0.357","0.4054","","","","","","1.002","","","","has coordinates,has disorder","250086","2020-10-21","18:00:00",""
"4134411","10.5324","0.0003","10.3157","0.0003","18.7208","0.0005","90","","90","","90","","2034","0.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C96 H136 N8 O16 -","8","1","","Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok","Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp<sup>3</sup>)-H Amidation.","Journal of the American Chemical Society","2020","142","12","5811","5818","10.1021/jacs.0c00868","","","0.71073","MoKα","","0.0607","0.0538","","","0.1271","0.1321","","","","","","1.111","","","","has coordinates","250074","2020-10-21","18:00:00",""
"4134412","60.281","0.012","4.917","0.001","14.155","0.003","90","","93.84","0.03","90","","4186.1","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 F6 N O4 -","- C24 H15 F6 N O4 -","- C192 H120 F48 N8 O32 -","8","1","","Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok","Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp<sup>3</sup>)-H Amidation.","Journal of the American Chemical Society","2020","142","12","5811","5818","10.1021/jacs.0c00868","","","0.7","synchrotron","","0.0782","0.0688","","","0.2008","0.2105","","","","","","1.113","","","","has coordinates","250074","2020-10-21","18:00:00",""
"4134413","7.0148","0.0012","11.8848","0.0018","12.981","0.002","90","","90.395","0.005","90","","1082.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N O2 -","- C11 H17 N O2 -","- C44 H68 N4 O8 -","4","2","","Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok","Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp<sup>3</sup>)-H Amidation.","Journal of the American Chemical Society","2020","142","12","5811","5818","10.1021/jacs.0c00868","","","0.71073","MoKα","","0.0722","0.052","","","0.1095","0.1182","","","","","","1.043","","","","has coordinates","250074","2020-10-21","18:00:00",""
"4134414","9.8755","0.0007","11.4069","0.0005","16.8121","0.001","90","","90","","90","","1893.86","0.19","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 F5 O P S3 -","- C16 H16 F5 O P S3 -","- C64 H64 F20 O4 P4 S12 -","4","1","","Xu, Dongmin; Rivas-Bascón, Nazaret; M Padial, Natalia; Knouse, Kyle W.; Zheng, Bin; Vantourout, Julien C.; Schmidt, Michael A.; Eastgate, Martin D.; Baran, Phil S.","Enantiodivergent Formation of C-P Bonds: Synthesis of P-Chiral Phosphines and Methyl-phosphonate Oligonucleotides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13898","","x-ray","0.71073","MoKα","","0.028","0.0247","","","0.0576","0.0594","","","","","","1.039","","","","has coordinates","249399","2020-10-21","18:00:00",""
"4134415","9.2918","0.0004","10.4856","0.0004","10.8907","0.0004","90","","94.561","0.001","90","","1057.72","0.07","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H31 O P S2 -","- C20 H31 O P S2 -","- C40 H62 O2 P2 S4 -","2","1","","Xu, Dongmin; Rivas-Bascón, Nazaret; M Padial, Natalia; Knouse, Kyle W.; Zheng, Bin; Vantourout, Julien C.; Schmidt, Michael A.; Eastgate, Martin D.; Baran, Phil S.","Enantiodivergent Formation of C-P Bonds: Synthesis of P-Chiral Phosphines and Methyl-phosphonate Oligonucleotides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13898","","x-ray","0.71073","MoKα","","0.0274","0.0265","","","0.0644","0.0651","","","","","","1.035","","","","has coordinates","249400","2020-10-21","18:00:00",""
"4134416","9.6822","0.0002","8.5651","0.0001","10.6603","0.0002","90","","93.474","0.001","90","","882.42","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 O2 P -","- C23 H19 O2 P -","- C46 H38 O4 P2 -","2","1","","Xu, Dongmin; Rivas-Bascón, Nazaret; M Padial, Natalia; Knouse, Kyle W.; Zheng, Bin; Vantourout, Julien C.; Schmidt, Michael A.; Eastgate, Martin D.; Baran, Phil S.","Enantiodivergent Formation of C-P Bonds: Synthesis of P-Chiral Phosphines and Methyl-phosphonate Oligonucleotides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13898","","x-ray","1.54178","CuKα","","0.0249","0.0248","","","0.0667","0.0668","","","","","","1.031","","","","has coordinates","249401","2020-10-21","18:00:00",""
"4134417","8.3898","0.0001","11.6997","0.0001","14.1048","0.0002","90","","90","","90","","1384.5","0.03","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 O2 P S -","- C14 H15 O2 P S -","- C56 H60 O8 P4 S4 -","4","1","","Xu, Dongmin; Rivas-Bascón, Nazaret; M Padial, Natalia; Knouse, Kyle W.; Zheng, Bin; Vantourout, Julien C.; Schmidt, Michael A.; Eastgate, Martin D.; Baran, Phil S.","Enantiodivergent Formation of C-P Bonds: Synthesis of P-Chiral Phosphines and Methyl-phosphonate Oligonucleotides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13898","","x-ray","1.54178","CuKα","","0.0212","0.021","","","0.0584","0.0586","","","","","","1.108","","","","has coordinates","249402","2020-10-21","18:00:00",""
"4134418","10.5002","0.0001","10.5759","0.0001","15.1419","0.0002","90","","90","","90","","1681.49","0.03","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 O P S2 -","- C16 H21 O P S2 -","- C64 H84 O4 P4 S8 -","4","1","","Xu, Dongmin; Rivas-Bascón, Nazaret; M Padial, Natalia; Knouse, Kyle W.; Zheng, Bin; Vantourout, Julien C.; Schmidt, Michael A.; Eastgate, Martin D.; Baran, Phil S.","Enantiodivergent Formation of C-P Bonds: Synthesis of P-Chiral Phosphines and Methyl-phosphonate Oligonucleotides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13898","","x-ray","1.54178","CuKα","","0.02","0.0199","","","0.0531","0.0532","","","","","","1.073","","","","has coordinates","249403","2020-10-21","18:00:00",""
"4134419","11.5551","0.0019","12.353","0.003","13.32","0.003","85.773","0.016","69.85","0.01","81.738","0.013","1765.8","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H50 B F6 N3 -","- C37 H50 B F6 N3 -","- C74 H100 B2 F12 N6 -","2","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.0591","0.0393","","","0.0903","0.0983","","","","","","1.028","","","","has coordinates","250077","2020-10-21","18:00:00",""
"4134420","12.566","0.003","8.2909","0.0008","20.179","0.004","90","","104.595","0.016","90","","2034.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 B Br2 F6 N2 -","- C17 H19 B Br2 F6 N2 -","- C68 H76 B4 Br8 F24 N8 -","4","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.0206","0.0179","","","0.0436","0.0446","","","","","","1.025","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134421","24.208","0.009","16.72","0.008","20.187","0.007","90","","130.261","0.007","90","","6235","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 B F6 N O2 -","- C34 H38 B F6 N O2 -","- C272 H304 B8 F48 N8 O16 -","8","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.093","0.061","","","0.1459","0.1663","","","","","","1.027","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134422","8.849","0.003","10.927","0.004","10.94","0.004","114.541","0.018","102.1","0.03","97.48","0.03","912.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 B2 F12 N4 -","- C34 H38 B2 F12 N4 -","- C34 H38 B2 F12 N4 -","1","0.5","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.1323","0.0795","","","0.1767","0.2092","","","","","","1.034","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134423","10.477","0.007","11.414","0.008","21.469","0.018","75.85","0.015","85.729","0.008","72.776","0.019","2378","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 B2 Br2 F12 N4 -","- C46 H50 B2 Br2 F12 N4 -","- C92 H100 B4 Br4 F24 N8 -","2","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.1041","0.0518","","","0.096","0.1131","","","","","","1.014","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134424","8.465","0.0019","11.3157","0.0018","23.879","0.005","90","","90","","90","","2287.3","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 B F6 N2 O2 -","- C23 H23 B F6 N2 O2 -","- C92 H92 B4 F24 N8 O8 -","4","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.0302","0.0257","","","0.0638","0.0651","","","","","","1.034","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134425","15.8864","0.0006","9.1579","0.0003","42.8822","0.0016","90","","99.783","0.001","90","","6148","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H37 B Cl2 F6 N -","- C31 H37 B Cl2 F6 N -","- C248 H296 B8 Cl16 F48 N8 -","8","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.0671","0.035","","","0.0807","0.0878","","","","","","1.054","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134426","20.475","0.002","7.6092","0.0008","12.4167","0.0013","90","","124.988","0.002","90","","1584.9","0.3","130","","130","","","","","","","","Leonidas Dimitrios Syntrivanis","4","C 1 2 1","C 2y","5","","","","- C16 H25 N3 O -","- C16 H25 N3 O -","- C64 H100 N12 O4 -","4","1","","Syntrivanis, Leonidas-Dimitrios; Némethová, Ivana; Schmid, Dario; Levi, Shani; Prescimone, Alessandro; Bissegger, Fabian; Major, Dan T.; Tiefenbacher, Konrad","Four-Step Access to the Sesquiterpene Natural Product Presilphiperfolan-1β-ol and Unnatural Derivatives via Supramolecular Catalysis.","Journal of the American Chemical Society","2020","142","12","5894","5900","10.1021/jacs.0c01464","","x-ray","1.54178","CuKα","","0.028","0.028","","","0.0739","0.074","","","","","","1.057","","","","has coordinates","250082","2020-10-21","18:00:00",""
"4134427","16.2888","0.0011","16.2888","0.0011","20.502","0.0015","90","","90","","90","","5439.7","0.7","130","","130","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C15 H26 O -","- C15 H26 O -","- C240 H416 O16 -","16","2","","Syntrivanis, Leonidas-Dimitrios; Némethová, Ivana; Schmid, Dario; Levi, Shani; Prescimone, Alessandro; Bissegger, Fabian; Major, Dan T.; Tiefenbacher, Konrad","Four-Step Access to the Sesquiterpene Natural Product Presilphiperfolan-1β-ol and Unnatural Derivatives via Supramolecular Catalysis.","Journal of the American Chemical Society","2020","142","12","5894","5900","10.1021/jacs.0c01464","","x-ray","1.54178","CuKα","","0.0553","0.0538","","","0.1403","0.1419","","","","","","1.064","","","","has coordinates,has disorder","250082","2020-10-21","18:00:00",""
"4134428","13.065","0.0004","29.3865","0.0009","11.9523","0.0004","90","","90","","90","","4588.9","0.3","120","2","120","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C84 H80 F24 Fe2 N20 P4 -","- C84 H80 F24 Fe2 N20 P4 -","- C168 H160 F48 Fe4 N40 P8 -","2","0.5","","Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia","Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.","Journal of the American Chemical Society","2020","142","12","5819","5824","10.1021/jacs.0c00896","","","1.54178","CuKα","","0.069","0.0652","","","0.1489","0.1511","","","","","","1.081","","","","has coordinates","250084","2020-10-21","18:00:00",""
"4134429","21.0032","0.0007","16.044","0.0005","21.1775","0.0007","90","","111.551","0.001","90","","6637.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H54 Cl8 Cu2 N8 O12 -","- C66 H54 Cl8 Cu2 N8 O12 -","- C264 H216 Cl32 Cu8 N32 O48 -","4","1","","Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia","Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.","Journal of the American Chemical Society","2020","142","12","5819","5824","10.1021/jacs.0c00896","","","0.71073","MoKα","","0.0801","0.0586","","","0.1474","0.1639","","","","","","1.059","","","","has coordinates,has disorder","250084","2020-10-21","18:00:00",""
"4134430","24.5777","0.0008","25.8125","0.0008","35.2575","0.0011","90","","107.858","0.002","90","","21290.1","1.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C258 H226 B4 Cu4 N16 O8 -","- C258 H226 B4 Cu4 N16 O8 -","- C1032 H904 B16 Cu16 N64 O32 -","4","0.5","","Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia","Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.","Journal of the American Chemical Society","2020","142","12","5819","5824","10.1021/jacs.0c00896","","","1.54178","CuKα","","0.0973","0.081","","","0.21","0.2241","","","","","","1.027","","","","has coordinates,has disorder","250084","2020-10-21","18:00:00",""
"4134431","20.5323","0.0006","20.5323","0.0006","41.7019","0.0017","90","","90","","90","","17580.5","1","120","2","120","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C144 H108 B6 F24 N28 Zn4 -","- C144 H108 B6 F24 N28 Zn4 -","- C576 H432 B24 F96 N112 Zn16 -","4","0.25","","Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia","Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.","Journal of the American Chemical Society","2020","142","12","5819","5824","10.1021/jacs.0c00896","","","1.54178","CuKα","","0.0708","0.069","","","0.2097","0.2122","","","","","","1.054","","","","has coordinates","250084","2020-10-21","18:00:00",""
"4134432","9.5366","0.0007","5.7321","0.0004","14.9406","0.0013","90","","91.557","0.003","90","","816.42","0.11","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C34 H42 N2 O6 S2 -","2","1","","Uwamori, Masahiro; Osada, Ryunosuke; Sugiyama, Ryoji; Nagatani, Kotaro; Nakada, Masahisa","Enantioselective Total Synthesis of Cotylenin A.","Journal of the American Chemical Society","2020","142","12","5556","5561","10.1021/jacs.0c01774","","","0.71075","MoKα","","","0.038","","","","0.0949","","","","","","1.104","","","","has coordinates","250085","2020-10-21","18:00:00",""
"4134433","13.025","0.002","17.695","0.003","17.75","0.003","90","","99.93","0.003","90","","4029.7","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Au N3 O -","- C40 H56 Au N3 O -","- C160 H224 Au4 N12 O4 -","4","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0259","0.0189","","","0.0457","0.0478","","","","","","1.041","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134434","10.1743","0.0014","17.827","0.003","18.078","0.003","90","","90.286","0.002","90","","3278.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Au N2 O2 -","- C36 H45 Au N2 O2 -","- C144 H180 Au4 N8 O8 -","4","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0297","0.0275","","","0.0732","0.075","","","","","","1.037","","","","has coordinates,has disorder","250054","2020-10-21","18:00:00",""
"4134435","11.072","0.003","15.898","0.004","24.215","0.006","90.721","0.004","94.132","0.004","102.353","0.004","4151.2","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 Au N3 O -","- C48 H54 Au N3 O -","- C192 H216 Au4 N12 O4 -","4","2","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0828","0.0687","","","0.188","0.1955","","","","","","1.035","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134436","16.597","0.003","14.75","0.002","18.101","0.003","90","","100.144","0.003","90","","4362","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H60 Au N3 O -","- C44 H60 Au N3 O -","- C176 H240 Au4 N12 O4 -","4","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0354","0.0229","","","0.0483","0.0511","","","","","","1.008","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134437","11.018","0.007","14.238","0.009","14.308","0.009","113.992","0.008","98.581","0.011","95.042","0.009","2000","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H52 Au N3 O2 -","- C48 H52 Au N3 O2 -","- C96 H104 Au2 N6 O4 -","2","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.1285","0.0967","","","0.2614","0.2894","","","","","","1.019","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134438","11.38","0.002","14.959","0.003","15.152","0.003","98.414","0.003","102.154","0.003","101.174","0.003","2426.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 Au N3 O2 -","- C48 H54 Au N3 O2 -","- C96 H108 Au2 N6 O4 -","2","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0173","0.0162","","","0.0408","0.0412","","","","","","1.009","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134439","11.264","0.0016","23.609","0.003","13.2861","0.0019","90","","99.42","0.002","90","","3485.6","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H52 Au N3 O -","- C37 H52 Au N3 O -","- C148 H208 Au4 N12 O4 -","4","0.5","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0387","0.0322","","","0.0778","0.0811","","","","","","1.065","","","","has coordinates,has disorder","250054","2020-10-21","18:00:00",""
"4134440","10.233","0.003","17.846","0.004","17.766","0.004","90","","93.463","0.004","90","","3238.5","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 Au N2 O -","- C36 H47 Au N2 O -","- C144 H188 Au4 N8 O4 -","4","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.027","0.0256","","","0.0711","0.0719","","","","","","1.049","","","","has coordinates,has disorder","250054","2020-10-21","18:00:00",""
"4134441","7.78","0.0001","8.1061","0.0001","29.6389","0.0005","90","","90","","90","","1869.19","0.05","173","2","172.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N6 O10 -","- C14 H24 N6 O10 -","- C56 H96 N24 O40 -","4","1","","Wang, Fei; Zhang, Wen-He; Zhao, Juan; Kang, Wen-Jia; Wang, Shengyang; Yu, Biao; Pan, Hai-Xue; Tang, Gong-Li","Characterization of Miharamycin Biosynthesis Reveals a Hybrid NRPS-PKS to Synthesize High-Carbon Sugar from a Complex Nucleoside.","Journal of the American Chemical Society","2020","142","13","5996","6000","10.1021/jacs.0c01778","","","1.34139","GaKα","","0.0288","0.0283","","","0.0747","0.0752","","","","","","1.063","","","","has coordinates","250057","2020-10-21","18:00:00",""
"4134442","26.798","0.0009","12.5063","0.0004","25.5113","0.0009","90","","119.089","0.001","90","","7471.5","0.4","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C71 H88 Cl N O12 -","- C71 H88 Cl N O12 -","- C284 H352 Cl4 N4 O48 -","4","0.5","","Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe","Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes.","Journal of the American Chemical Society","2020","142","13","6360","6364","10.1021/jacs.0c01274","","","1.34139","GaKα","","0.125","0.1166","","","0.2949","0.2995","","","","","","0.983","","","","has coordinates,has disorder","250059","2020-10-21","18:00:00",""
"4134443","26.5236","0.0008","12.5602","0.0004","25.6641","0.0011","90","","119.075","0.001","90","","7472.4","0.5","173.01","","173.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H92 Cl2 N2 O12 -","- C76 H92 Cl2 N2 O12 -","- C304 H368 Cl8 N8 O48 -","4","0.5","","Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe","Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes.","Journal of the American Chemical Society","2020","142","13","6360","6364","10.1021/jacs.0c01274","","","1.54178","CuKα","","0.1035","0.0935","","","0.2842","0.2947","","","","","","1.064","","","","has coordinates,has disorder","250059","2020-10-21","18:00:00",""
"4134444","13.847","0.001","23.25","0.002","25.631","0.002","80.16","0.003","90.001","0.001","90.001","0.001","8130.3","1.1","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C299 H316 Br48 Cl7 N7 O49 -","- C299 H316 Br48 Cl7 N7 O49 -","- C299 H316 Br48 Cl7 N7 O49 -","1","0.5","","Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe","Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes.","Journal of the American Chemical Society","2020","142","13","6360","6364","10.1021/jacs.0c01274","","","0.71073","MoKα","","0.1437","0.0974","","","0.2912","0.3231","","","","","","1.098","","","","has coordinates,has disorder","250059","2020-10-21","18:00:00",""
"4134445","13.3514","0.0003","13.3868","0.0003","13.8133","0.0003","117.91","0.001","100.421","0.001","94.45","0.001","2108","0.08","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H76 Br12 Cl N O12 -","- C71 H76 Br12 Cl N O12 -","- C71 H76 Br12 Cl N O12 -","1","0.5","","Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe","Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes.","Journal of the American Chemical Society","2020","142","13","6360","6364","10.1021/jacs.0c01274","","","1.34139","GaKα","","0.1226","0.1186","","","0.302","0.3048","","","","","","1.072","","","","has coordinates,has disorder","250059","2020-10-21","18:00:00",""
"4134446","9.74368","0.00015","18.5497","0.0003","26.3997","0.0005","90","","90","","90","","4771.54","0.14","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H56 B3 N3 O5 -","- C55 H56 B3 N3 O5 -","- C220 H224 B12 N12 O20 -","4","1","","Suresh, Subeesh Madayanad; Duda, Eimantas; Hall, David; Yao, Zhen; Bagnich, Sergey; Slawin, Alexandra M. Z.; Bässler, Heinz; Beljonne, David; Buck, Manfred; Olivier, Yoann; Köhler, Anna; Zysman-Colman, Eli","A Deep Blue B,N-Doped Heptacene Emitter That Shows Both Thermally Activated Delayed Fluorescence and Delayed Fluores-cence by Triplet Triplet Annihilation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13704","","","1.54184","CuKα","","0.0455","0.0391","","","0.1019","0.106","","","","","","1.024","","","","has coordinates","249501","2020-10-21","18:00:00",""
"4134447","12.3452","0.0004","12.739","0.0004","18.1766","0.0005","85.899","0.002","89.229","0.002","63.881","0.003","2559.55","0.15","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H60 Li O2 P3 Ru -","- C62 H60 Li O2 P3 Ru -","- C124 H120 Li2 O4 P6 Ru2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","1.54184","CuKα","","0.0483","0.04","","","0.096","0.1005","","","","","","1.015","","","","has coordinates","250052","2020-10-21","18:00:00",""
"4134448","14.8201","0.0003","16.2071","0.0004","17.1082","0.0003","94.116","0.002","93.148","0.002","112.751","0.002","3764.44","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H94 Li O8 P3 Ru -","- C88 H94 Li O8 P3 Ru -","- C176 H188 Li2 O16 P6 Ru2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","","0.71073","MoKα","","0.0644","0.0427","","","0.0886","0.0982","","","","","","1.024","","","","has coordinates","250052","2020-10-21","18:00:00",""
"4134449","41.0356","0.0005","13.7554","0.0002","19.4148","0.0002","90","","99.045","0.001","90","","10822.6","0.2","200","0.1","200","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H63 Mg O2 P3 Ru -","- C63 H63 Mg O2 P3 Ru -","- C504 H504 Mg8 O16 P24 Ru8 -","8","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","1.54184","CuKα","","0.0414","0.0316","","","0.0715","0.0756","","","","","","1.025","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134450","12.3478","0.0003","12.6936","0.0003","20.7422","0.0004","78.102","0.002","81.745","0.002","64.053","0.002","2855.31","0.12","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C67 H71 O3 P3 Ru Zn -","- C67 H71 O3 P3 Ru Zn -","- C134 H142 O6 P6 Ru2 Zn2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","1.54184","CuKα","","0.0305","0.0275","","","0.0682","0.0705","","","","","","1.036","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134451","12.3741","0.0004","12.7084","0.0004","20.744","0.0006","78.007","0.003","81.63","0.003","63.847","0.003","2858.8","0.17","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66.65 H69.95 Cl0.35 O3 P3 Ru Zn -","- C66.65 H69.95 Cl0.35 O3 P3 Ru Zn -","- C133.3 H139.9 Cl0.7 O6 P6 Ru2 Zn2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","0.71073","MoKα","","0.0525","0.0369","","","0.0734","0.0796","","","","","","1.041","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134452","11.2221","0.0003","13.0503","0.0004","16.6725","0.0005","85.312","0.003","73.891","0.003","72.861","0.003","2241.67","0.12","150","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C55 H47 P3 Ru Zn -","- C55 H47 P3 Ru Zn -","- C110 H94 P6 Ru2 Zn2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","0.71073","MoKα","","0.0456","0.033","","","0.0676","0.0727","","","","","","1.025","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134453","13.4442","0.0004","17.6572","0.0005","18.2564","0.0005","90.385","0.002","99.08","0.003","104.878","0.002","4131","0.2","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C88 H62 B F24 P3 Ru Zn2 -","- C88 H62 B F24 P3 Ru Zn2 -","- C176 H124 B2 F48 P6 Ru2 Zn4 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","0.71073","MoKα","","0.0627","0.0395","","","0.0837","0.0947","","","","","","1.025","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134454","8.612","0.003","14.566","0.006","15.189","0.005","90","","90","","90","","1905.3","1.2","103","2","103","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C18 H11 F10 N2 O0.5 Pd -","- C18 H11 F10 N2 O0.5 Pd -","- C72 H44 F40 N8 O2 Pd4 -","4","0.5","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","","0.71073","MoKα","","0.044","0.031","","","0.0734","0.0794","","","","","","1.074","","","","has coordinates,has disorder","250055","2020-10-21","18:00:00",""
"4134455","40.0791","0.0008","13.0995","0.0003","3.698","0.0001","90","","90","","90","","1941.51","0.08","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C12 H4 F6 -","- C12 H4 F6 -","- C96 H32 F48 -","8","0.5","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","x-ray","1.54184","CuKα","","0.0321","0.0317","","","0.0808","0.0813","","","","","","1.056","","","","has coordinates","250055","2020-10-21","18:00:00",""
"4134456","9.1923","0.0003","8.9775","0.0002","9.5988","0.0003","90","","90.225","0.003","90","","792.12","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 F4 N2 Pd -","- C16 H12 F4 N2 Pd -","- C32 H24 F8 N4 Pd2 -","2","1","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","x-ray","0.71073","MoKα","","0.0307","0.0266","","","0.0574","0.0588","","","","","","1.044","","","","has coordinates","250055","2020-10-21","18:00:00",""
"4134457","10.994","0.003","8.897","0.004","20.967","0.003","90","","90","","90","","2050.9","1.1","103","2","103","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H2 F8 -","- C12 H2 F8 -","- C96 H16 F64 -","8","1","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","","0.71073","MoKα","","0.037","0.0319","","","0.0861","0.09","","","","","","1.041","","","","has coordinates","250055","2020-10-21","18:00:00",""
"4134458","9.55","0.0015","17.778","0.005","19.108","0.003","90","","90.415","0.007","90","","3244.1","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 F6 N2 Pd -","- C16 H10 F6 N2 Pd -","- C128 H80 F48 N16 Pd8 -","8","2","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","","0.71073","MoKα","","0.0392","0.0294","","","0.0718","0.077","","","","","","1.063","","","","has coordinates","250055","2020-10-21","18:00:00",""
"4134459","9.6828","0.0008","18.9012","0.0019","20.5148","0.0015","90","","90","","90","","3754.5","0.6","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18.5 Br I N O -","- C18 H19 Br I N O -","- C144 H152 Br8 I8 N8 O8 -","8","2","","Tian, Junsong; Luo, Fan; Zhang, Qifeng; Liang, Yuchen; Li, Dongyang; Zhan, Yaling; Kong, Lichun; Wang, Zhi-Xiang; Peng, Bo","Asymmetric Iodonio-[3,3]-Sigmatropic Rearrangement to Access Chiral α-Aryl Carbonyl Compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00783","","","0.71073","MoKα","","0.1067","0.0403","","","0.071","0.0886","","","","","","0.99","","","","has coordinates","249530","2020-10-21","18:00:00",""
"4134460","7.2242","0.0003","8.8678","0.0004","15.7698","0.0007","90","","90","","90","","1010.26","0.08","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Cl3 F N Zn -","- C4 H11 Cl3 F N Zn -","- C16 H44 Cl12 F4 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0421","0.0397","","","0.0999","0.1013","","","","","","1.001","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134461","7.1947","0.0002","8.718","0.0002","15.6452","0.0005","90","","90","","90","","981.32","0.05","93","2","93","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Cl3 F N Zn -","- C4 H11 Cl3 F N Zn -","- C16 H44 Cl12 F4 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0243","0.0241","","","0.0626","0.0627","","","","","","1.001","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134462","7.1748","0.0004","9.1116","0.0005","17.2922","0.001","90","","90","","90","","1130.46","0.11","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Br Cl3 N Zn -","- C4 H11 Br Cl3 N Zn -","- C16 H44 Br4 Cl12 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0712","0.0611","","","0.1633","0.1693","","","","","","1.043","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134463","7.174","0.0003","9.1468","0.0004","17.7179","0.0006","90","","90","","90","","1162.63","0.08","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Cl3 I N Zn -","- C4 H11 Cl3 I N Zn -","- C16 H44 Cl12 I4 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0548","0.0512","","","0.1217","0.1234","","","","","","1.174","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134464","28.8906","0.001","7.1178","0.0002","10.2641","0.0003","90","","90","","90","","2110.68","0.11","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H22 Cl8 N2 Zn2 -","- C8 H22 Cl8 N2 Zn2 -","- C32 H88 Cl32 N8 Zn8 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0207","0.0198","","","0.0522","0.0525","","","","","","1","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134465","7.1698","0.0003","14.6397","0.0005","10.3561","0.0004","90","","90","","90","","1087.01","0.07","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C4 H11 Cl4 N Zn -","- C4 H11 Cl4 N Zn -","- C16 H44 Cl16 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0498","0.0475","","","0.1322","0.1341","","","","","","1.001","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134466","7.2453","0.0003","8.8632","0.0004","15.4226","0.0008","90","","90","","90","","990.39","0.08","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C4 H12 Cl3 N Zn -","- C4 H12 Cl3 N Zn -","- C16 H48 Cl12 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0338","0.0333","","","0.0839","0.0842","","","","","","1.058","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134467","6.2036","0.0009","8.1137","0.0011","15.041","0.003","90","","96.162","0.01","90","","752.7","0.2","100","2","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O -","- C19 H21 N O -","- C38 H42 N2 O2 -","2","1","","Xu, Bin; Troian-Gautier, Ludovic; Dykstra, Ryan; Martin, Robert T.; Gutierrez, Osvaldo; Tambar, Uttam K.","Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes.","Journal of the American Chemical Society","2020","142","13","6206","6215","10.1021/jacs.0c00147","","","0.71073","MoKα","","0.0594","0.0415","","","0.0915","0.0978","","","","","","1.037","","","","has coordinates","250058","2020-10-21","18:00:00",""
"4134468","8.353","0.0004","5.8263","0.0002","10.678","0.0004","90","","109.178","0.005","90","","490.83","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Cl S -","- C11 H9 Cl S -","- C22 H18 Cl2 S2 -","2","1","","Xu, Bin; Troian-Gautier, Ludovic; Dykstra, Ryan; Martin, Robert T.; Gutierrez, Osvaldo; Tambar, Uttam K.","Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes.","Journal of the American Chemical Society","2020","142","13","6206","6215","10.1021/jacs.0c00147","","","0.71073","MoKα","","0.0489","0.0471","","","0.1216","0.1237","","","","","","1.082","","","","has coordinates","250058","2020-10-21","18:00:00",""
"4134469","23.636","0.005","7.7229","0.0016","6.3397","0.0011","90","","94.829","0.011","90","","1153.1","0.4","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C15 H13 Cl -","- C15 H13 Cl -","- C60 H52 Cl4 -","4","1","","Xu, Bin; Troian-Gautier, Ludovic; Dykstra, Ryan; Martin, Robert T.; Gutierrez, Osvaldo; Tambar, Uttam K.","Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes.","Journal of the American Chemical Society","2020","142","13","6206","6215","10.1021/jacs.0c00147","","","0.71073","MoKα","","0.0564","0.0424","","","0.0864","0.0888","","","","","","1.01","","","","has coordinates","250058","2020-10-21","18:00:00",""
"4134470","7.9411","0.0003","11.3394","0.0005","6.033","0.0003","90","","90","","90","","543.26","0.04","307","2","307","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0507","0.0428","","","0.095","0.0999","","","","","","1.21","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134471","7.9344","0.0003","11.3381","0.0004","6.0281","0.0002","90","","90","","90","","542.29","0.03","280","2","280","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0525","0.0418","","","0.0896","0.095","","","","","","1.14","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4134472","7.9296","0.0003","11.3383","0.0004","6.0243","0.0003","90","","90","","90","","541.63","0.04","260","2","260","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0459","0.0351","","","0.0839","0.0904","","","","","","1.002","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134473","7.9292","0.0002","11.3401","0.0004","6.0235","0.0002","90","","90","","90","","541.62","0.03","252","2","252","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0409","0.0321","","","0.0713","0.076","","","","","","1.089","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134474","6.0598","0.0004","7.8788","0.0005","11.2274","0.0007","90","","92.234","0.002","90","","535.63","0.06","238","2","238","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.1055","0.0947","","","0.2063","0.2118","","","","","","1.246","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134475","6.0581","0.0004","7.8735","0.0005","11.2215","0.0007","90","","92.254","0.003","90","","534.83","0.06","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.1006","0.0886","","","0.1993","0.205","","","","","","1.249","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134476","6.0577","0.0004","7.8714","0.0005","11.2223","0.0007","90","","92.255","0.002","90","","534.69","0.06","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.1077","0.097","","","0.207","0.212","","","","","","1.289","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4134477","7.9345","0.0009","11.0298","0.0013","5.9653","0.0008","90","","90","","90","","522.06","0.11","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H6.45 K0.39 N1.61 O3 P -","- F H6.268 K0.433 N1.567 O3 P -","- F4 H25.072 K1.732 N6.268 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0518","0.0463","","","0.0979","0.1002","","","","","","1.139","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134478","7.9362","0.0009","11.2076","0.0011","6.0017","0.0007","90","","90","","90","","533.83","0.1","303","2","303","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F0.8 H6.4 K0.13 N1.47 O2.4 P0.8 -","- F0.8 H6.4 K0.128 N1.472 O2.4 P0.8 -","- F4 H32 K0.64 N7.36 O12 P4 -","5","1.25","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0425","0.0345","","","0.1044","0.1142","","","","","","0.903","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134479","7.9368","0.0004","11.2965","0.0006","6.0229","0.0003","90","","90","","90","","540","0.05","306","2","306","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.04 N1.96 O3 P -","- F H8 K0.034 N1.966 O3 P -","- F4 H32 K0.136 N7.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0442","0.0405","","","0.0941","0.0957","","","","","","1.157","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134480","7.9319","0.0003","11.295","0.0004","6.019","0.0002","90","","90","","90","","539.25","0.03","280","2","280","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.01 N2 O3 P -","- F H8 K0.032 N1.968 O3 P -","- F4 H32 K0.128 N7.872 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0445","0.0414","","","0.0925","0.0938","","","","","","1.162","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134481","7.9299","0.0003","11.2968","0.0004","6.0169","0.0002","90","","90","","90","","539.01","0.03","260","2","260","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F0.8 H6.4 K0.03 N1.57 O2.4 P0.8 -","- F0.8 H6.4 K0.0304 N1.5696 O2.4 P0.8 -","- F4 H32 K0.152 N7.848 O12 P4 -","5","1.25","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0462","0.0416","","","0.1119","0.1172","","","","","","0.975","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134482","7.9285","0.0003","11.3009","0.0004","6.0152","0.0002","90","","90","","90","","538.96","0.03","240","2","240","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.02 N1.98 O3 P -","- F H8 K0.034 N1.966 O3 P -","- F4 H32 K0.136 N7.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0443","0.0396","","","0.1074","0.1123","","","","","","0.938","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134483","6.041","0.0002","7.874","0.0003","11.1841","0.0004","90","","92.26","0.001","90","","531.58","0.03","230","2","230","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.04 N1.96 O3 P -","- F H8 K0.042 N1.958 O3 P -","- F4 H32 K0.168 N7.832 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0551","0.05","","","0.1422","0.1464","","","","","","1.216","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134484","6.0404","0.0002","7.8708","0.0002","11.1807","0.0003","90","","92.268","0.001","90","","531.15","0.03","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.06 N1.94 O3 P -","- F H8 K0.039 N1.961 O3 P -","- F4 H32 K0.156 N7.844 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0445","0.0396","","","0.0896","0.092","","","","","","1.164","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134485","6.0398","0.0002","7.8673","0.0003","11.1779","0.0004","90","","92.279","0.001","90","","530.72","0.03","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.05 N1.94 O3 P -","- F H8 K0.055 N1.945 O3 P -","- F4 H32 K0.22 N7.78 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0487","0.0426","","","0.1234","0.1292","","","","","","1.088","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134486","6.0398","0.0002","7.8659","0.0003","11.1767","0.0004","90","","92.289","0.001","90","","530.56","0.03","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.05 N1.95 O3 P -","- F H8 K0.034 N1.966 O3 P -","- F4 H32 K0.136 N7.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0516","0.048","","","0.1049","0.1063","","","","","","1.189","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134487","6.0395","0.0002","7.8631","0.0003","11.1748","0.0005","90","","92.309","0.001","90","","530.25","0.04","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.06 N1.94 O3 P -","- F H8 K0.039 N1.961 O3 P -","- F4 H32 K0.156 N7.844 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0493","0.0455","","","0.1008","0.1026","","","","","","1.187","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134488","7.9297","0.0011","11.1111","0.0019","5.982","0.001","90","","90","","90","","527.06","0.15","304","2","304","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.29 N1.71 O3 P -","- F H8 K0.284 N1.716 O3 P -","- F4 H32 K1.136 N6.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0707","0.0601","","","0.1225","0.1267","","","","","","1.155","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134489","7.9247","0.0003","11.1134","0.0004","5.9812","0.0003","90","","90","","90","","526.77","0.04","260","2","260","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.28 N1.72 O3 P -","- F H8 K0.263 N1.737 O3 P -","- F4 H32 K1.052 N6.948 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0661","0.0572","","","0.1063","0.1091","","","","","","1.115","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134490","7.9171","0.0003","11.109","0.0005","5.9766","0.0003","90","","90","","90","","525.65","0.04","220","2","220","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.3 N1.71 O3 P -","- F H8 K0.291 N1.709 O3 P -","- F4 H32 K1.164 N6.836 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0686","0.0551","","","0.1164","0.122","","","","","","1.113","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134491","7.9076","0.0003","11.0973","0.0005","5.9692","0.0003","90","","90","","90","","523.82","0.04","190","2","190","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.28 N1.72 O3 P -","- F H8 K0.28 N1.72 O3 P -","- F4 H32 K1.12 N6.88 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0725","0.0622","","","0.1256","0.1298","","","","","","1.146","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134492","7.9057","0.0003","11.0964","0.0004","5.9676","0.0002","90","","90","","90","","523.51","0.03","170","2","170","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H6.89 K0.28 N1.72 O3 P -","- F H6.892 K0.277 N1.723 O3 P -","- F4 H27.568 K1.108 N6.892 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0733","0.0612","","","0.1123","0.1166","","","","","","1.151","","","","has coordinates,has disorder","250063","2020-10-21","18:00:00",""
"4134493","7.9048","0.0003","11.0997","0.0005","5.9682","0.0002","90","","90","","90","","523.66","0.04","140","2","140","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H6.86 K0.28 N1.72 O3 P -","- F H6.864 K0.284 N1.716 O3 P -","- F4 H27.456 K1.136 N6.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0724","0.0604","","","0.1106","0.1148","","","","","","1.119","","","","has coordinates,has disorder","250063","2020-10-21","18:00:00",""
"4134494","5.9813","0.0002","7.8672","0.0002","10.9965","0.0004","90","","91.916","0.002","90","","517.16","0.03","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.27 N1.73 O3 P -","- F H8 K0.272 N1.728 O3 P -","- F4 H32 K1.088 N6.912 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0908","0.0755","","","0.1886","0.1959","","","","","","1.432","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134495","5.9756","0.0003","7.862","0.0003","10.9873","0.0005","90","","91.939","0.002","90","","515.89","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.27 N1.73 O3 P -","- F H8 K0.267 N1.733 O3 P -","- F4 H32 K1.068 N6.932 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0941","0.0801","","","0.1509","0.1564","","","","","","1.223","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134496","5.9761","0.0003","7.8611","0.0003","10.987","0.0005","90","","91.941","0.002","90","","515.86","0.04","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.27 N1.73 O3 P -","- F H8 K0.266 N1.734 O3 P -","- F4 H32 K1.064 N6.936 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0904","0.0779","","","0.1429","0.1472","","","","","","1.213","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134497","7.9303","0.0004","10.8767","0.0007","5.933","0.0003","90","","90","","90","","511.75","0.05","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H5.27 K0.68 N1.32 O3 P -","- F H5.272 K0.682 N1.318 O3 P -","- F4 H21.088 K2.728 N5.272 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0843","0.0768","","","0.1381","0.141","","","","","","1.26","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134498","7.9395","0.0013","11.3139","0.0019","6.0289","0.0009","90","","90","","90","","541.56","0.15","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.03 N1.97 O3 P -","- F H8 K0.03 N1.97 O3 P -","- F4 H32 K0.12 N7.88 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0555","0.05","","","0.1312","0.1351","","","","","","0.99","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134499","7.9325","0.0002","11.313","0.0003","6.0242","0.0002","90","","90","","90","","540.61","0.03","280","2","280","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.01 N1.99 O3 P -","- F H8 K0.02 N1.98 O3 P -","- F4 H32 K0.08 N7.92 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0391","0.0349","","","0.0825","0.0843","","","","","","1.124","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134500","7.9299","0.0002","11.3151","0.0003","6.0217","0.0002","90","","90","","90","","540.31","0.03","260","2","260","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.03 N1.97 O3 P -","- F H8 K0.026 N1.974 O3 P -","- F4 H32 K0.104 N7.896 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0453","0.0416","","","0.1049","0.1067","","","","","","1.149","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134501","6.0443","0.0002","7.8705","0.0003","11.1958","0.0005","90","","92.271","0.002","90","","532.18","0.04","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0 N2 O3 P -","- F H8 K0.028 N1.972 O3 P -","- F4 H32 K0.112 N7.888 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0852","0.0779","","","0.1936","0.198","","","","","","1.605","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134502","6.0447","0.0002","7.8661","0.0003","11.1926","0.0005","90","","92.297","0.002","90","","531.76","0.04","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.01 N1.99 O3 P -","- F H8 K0.012 N1.988 O3 P -","- F4 H32 K0.048 N7.952 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.077","0.0663","","","0.1378","0.1416","","","","","","1.252","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134503","6.0454","0.0002","7.8617","0.0003","11.189","0.0004","90","","92.319","0.001","90","","531.35","0.03","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.03 N1.97 O3 P -","- F H8 K0.032 N1.968 O3 P -","- F4 H32 K0.128 N7.872 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0781","0.0731","","","0.188","0.1903","","","","","","1.57","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134504","6.0442","0.0002","7.8558","0.0003","11.1835","0.0004","90","","92.34","0.001","90","","530.57","0.03","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.03 N1.97 O3 P -","- F H8 K0.03 N1.97 O3 P -","- F4 H32 K0.12 N7.88 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0751","0.0677","","","0.1748","0.1785","","","","","","1.466","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134505","6.043","0.0002","7.8506","0.0003","11.178","0.0004","90","","92.373","0.001","90","","529.84","0.03","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.04 N1.97 O3 P -","- F H8 K0.036 N1.964 O3 P -","- F4 H32 K0.144 N7.856 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0688","0.064","","","0.1686","0.1707","","","","","","1.424","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134506","10.8379","0.0013","15.0057","0.0014","7.9077","0.001","90","","107.595","0.013","90","","1225.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H11 I3 N2 Pb -","- C2 H11 I3 N2 Pb -","- C8 H44 I12 N8 Pb4 -","4","1","","Huang, Xiaofeng; Chen, Ruihao; Deng, Guocheng; Han, Faming; Ruan, Pengpeng; Cheng, Fangwen; Yin, Jun; Wu, Binghui; Zheng, Nanfeng","Methylamine-Dimer-Induced Phase Transition toward MAPbI<sub>3</sub> Films and High-Efficiency Perovskite Solar Modules.","Journal of the American Chemical Society","2020","142","13","6149","6157","10.1021/jacs.9b13443","","","0.71073","MoKα","","0.1398","0.0726","","","0.1375","0.1844","","","","","","1.003","","","","has coordinates","250065","2020-10-21","18:00:00",""
"4134507","13.7722","0.0004","14.9103","0.0004","19.1625","0.0008","90","","69.247","0.004","90","","3679.7","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H40 Cl0.23 I8.77 N7 Pb2 -","- C7 H40 Cl0.232 I8.768 N7 Pb2 -","- C28 H160 Cl0.928 I35.072 N28 Pb8 -","4","1","","Huang, Xiaofeng; Chen, Ruihao; Deng, Guocheng; Han, Faming; Ruan, Pengpeng; Cheng, Fangwen; Yin, Jun; Wu, Binghui; Zheng, Nanfeng","Methylamine-Dimer-Induced Phase Transition toward MAPbI<sub>3</sub> Films and High-Efficiency Perovskite Solar Modules.","Journal of the American Chemical Society","2020","142","13","6149","6157","10.1021/jacs.9b13443","","x-ray","0.71073","MoKα","","0.103","0.0621","","","0.1389","0.1633","","","","","","1.039","","","","has coordinates,has disorder","250065","2020-10-21","18:00:00",""
"4134508","11.3793","0.0001","11.8884","0.0002","12.7447","0.0002","90","","90","","90","","1724.12","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- F3 K Mo O2 -","- F3 K Mo O2 -","- F48 K16 Mo16 O32 -","16","4","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","x-ray","0.71073","MoKα","","0.0235","0.022","","","0.0457","0.0463","","","","","","1.045","","","","has coordinates","250056","2020-10-21","18:00:00",""
"4134509","11.3563","0.0005","11.8657","0.0005","12.7391","0.0006","90","","90","","90","","1716.6","0.13","100","","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- F3 K Mo O2 -","- F3 K Mo O2 -","- F48 K16 Mo16 O32 -","16","4","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","","0.71073","MoKα","","0.013","0.0129","","","0.0314","0.0314","","","","","","1.192","","","","has coordinates","250056","2020-10-21","18:00:00",""
"4134510","8.4691","0.0006","13.3818","0.0009","28.188","0.002","90","","95.692","0.004","90","","3178.8","0.4","100","","100.04","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F3 Mo O2 Rb -","- F3 Mo O2 Rb -","- F84 Mo28 O56 Rb28 -","28","3.5","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","","0.71073","MoKα","","0.0266","0.026","","","0.06","0.0603","","","","","","1.225","","","","has coordinates,has disorder","250056","2020-10-21","18:00:00",""
"4134511","8.3492","0.0003","13.4494","0.0005","28.2717","0.001","90","","95.004","0.002","90","","3162.6","0.2","100","2","99.96","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F3 Mo O2 Tl -","- F3 Mo O2 Tl -","- F84 Mo28 O56 Tl28 -","28","3.5","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","","0.71073","MoKα","","0.066","0.056","","","0.131","0.1369","","","","","","1.018","","","","has coordinates","250056","2020-10-21","18:00:00",""
"4134512","8.4774","0.0001","13.3966","0.0001","28.4385","0.0003","90","","95.073","0.001","90","","3217.06","0.06","200.01","0.1","200.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F3 Mo N O2 -","- F3 Mo N O2 -","- F84 Mo28 N28 O56 -","28","3.5","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","x-ray","0.71073","MoKα","","0.0227","0.0207","","","0.0502","0.051","","","","","","1.116","","","","has coordinates","250056","2020-10-21","18:00:00",""
"4134513","7.4499","0.0002","10.1587","0.0003","19.0266","0.0005","90","","90","","90","","1439.96","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CR-172","","","- C12 H20 N2 O2 S2 -","- C12 H20 N2 O2 S2 -","- C48 H80 N8 O8 S8 -","4","1","","Roos, Casey B.; Demaerel, Joachim; Graff, David E.; Knowles, Robert R.","Enantioselective Hydroamination of Alkenes with Sulfonamides Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2020","142","13","5974","5979","10.1021/jacs.0c01332","","","1.54178","CuKα","","0.0243","0.0231","","","0.0595","0.0601","","","","","","1.09","","","","has coordinates","250067","2020-10-21","18:00:00",""
"4134514","7.5385","0.0003","11.336","0.0004","17.2319","0.0006","90","","90","","90","","1472.58","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CR-173","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Roos, Casey B.; Demaerel, Joachim; Graff, David E.; Knowles, Robert R.","Enantioselective Hydroamination of Alkenes with Sulfonamides Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2020","142","13","5974","5979","10.1021/jacs.0c01332","","","1.54178","CuKα","","0.0227","0.0224","","","0.0582","0.0583","","","","","","1.096","","","","has coordinates","250067","2020-10-21","18:00:00",""
"4134515","26.4032","0.0009","17.2822","0.0009","15.4213","0.0006","90","","113.881","0.002","90","","6434.4","0.5","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H22 Au B Cl2 F4 N2 -","- C37 H22 Au B Cl2 F4 N2 -","- C296 H176 Au8 B8 Cl16 F32 N16 -","8","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Øien-Ødegaard, Sigurd; Vanderkooy, Alan; Gupta, Arvind Kumar; Carlsson, Anna-Carin C; Orthaber, Andreas; Fiksdahl, Anne; Pápai, Imre; Erdélyi, Máté","Catalytic Activity of <i>trans</i>-Bis(pyridine)gold Complexes.","Journal of the American Chemical Society","2020","142","13","6439","6446","10.1021/jacs.0c01941","","x-ray","0.71073","MoKα","","0.0461","0.0284","","","0.0644","0.0718","","","","","","1.034","","","","has coordinates","250062","2020-10-21","18:00:00",""
"4134516","32.117","0.015","12.282","0.006","8.293","0.004","90","","90","","90","","3271","3","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H20 Au2 Cl6 N2 O2 -","- C26 H20 Au2 Cl6 N2 O2 -","- C104 H80 Au8 Cl24 N8 O8 -","4","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Øien-Ødegaard, Sigurd; Vanderkooy, Alan; Gupta, Arvind Kumar; Carlsson, Anna-Carin C; Orthaber, Andreas; Fiksdahl, Anne; Pápai, Imre; Erdélyi, Máté","Catalytic Activity of <i>trans</i>-Bis(pyridine)gold Complexes.","Journal of the American Chemical Society","2020","142","13","6439","6446","10.1021/jacs.0c01941","","","0.71073","MoKα","","0.0947","0.0686","","","0.1449","0.1566","","","","","","1.03","","","","has coordinates","250062","2020-10-21","18:00:00",""
"4134517","26.339","0.003","15.8633","0.0015","20.316","0.002","90","","125.911","0.002","90","","6875.1","1.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C73 H42 Au4 Cl10 N4 -","- C73 H42 Au4 Cl10 N4 -","- C292 H168 Au16 Cl40 N16 -","4","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Øien-Ødegaard, Sigurd; Vanderkooy, Alan; Gupta, Arvind Kumar; Carlsson, Anna-Carin C; Orthaber, Andreas; Fiksdahl, Anne; Pápai, Imre; Erdélyi, Máté","Catalytic Activity of <i>trans</i>-Bis(pyridine)gold Complexes.","Journal of the American Chemical Society","2020","142","13","6439","6446","10.1021/jacs.0c01941","","","0.71073","MoKα","","0.0989","0.0648","","","0.1464","0.1656","","","","","","1.05","","","","has coordinates","250062","2020-10-21","18:00:00",""
"4134518","14.22334","0.00008","14.22334","0.00008","37.3147","0.0002","90","","90","","120","","6537.53","0.06","100.01","0.15","100.01","0.15","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C84 H12 Cu6 F42 O18 -","- C84 H12 Cu6 F42 O18 -","- C252 H36 Cu18 F126 O54 -","3","0.0833333","","Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan","Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C<sub>60</sub>@Cu<sub>24</sub> Rhombicuboctahedron.","Journal of the American Chemical Society","2020","142","13","5943","5947","10.1021/jacs.0c00090","","x-ray","1.54184","CuKα","","0.1183","0.1171","","","0.32","0.3211","","","","","","1.115","","","","has coordinates,has disorder","250066","2020-10-21","18:00:00",""
"4134519","13.5207","0.0002","18.2853","0.0003","18.8367","0.0002","107.685","0.001","108.685","0.001","95.644","0.001","4103.1","0.11","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","7F-12","","","- C137 H32 Cl2 Cu13 F113 O42 -","- C137 H32 Cl2 Cu13 F113 O42 -","- C137 H32 Cl2 Cu13 F113 O42 -","1","0.5","","Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan","Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C<sub>60</sub>@Cu<sub>24</sub> Rhombicuboctahedron.","Journal of the American Chemical Society","2020","142","13","5943","5947","10.1021/jacs.0c00090","","x-ray","1.54184","CuKα","","0.0958","0.0898","","","0.2559","0.2629","","","","","","1.046","","","","has coordinates,has disorder","250066","2020-10-21","18:00:00",""
"4134520","17.717","0.0003","17.7627","0.0006","17.8073","0.0004","63.11","0.003","88.8395","0.0017","86.946","0.002","4990.9","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C148 H92 Cu24 F72 O78 -","- C148 H92 Cu24 F72 O78 -","- C148 H92 Cu24 F72 O78 -","1","0.5","","Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan","Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C<sub>60</sub>@Cu<sub>24</sub> Rhombicuboctahedron.","Journal of the American Chemical Society","2020","142","13","5943","5947","10.1021/jacs.0c00090","","x-ray","1.54184","CuKα","","0.0623","0.0554","","","0.1647","0.17","","","","","","1.055","","","","has coordinates,has disorder","250066","2020-10-21","18:00:00",""
"4134521","25.6664","0.0006","25.6664","0.0006","24.6267","0.0009","90","","90","","120","","14049.7","0.7","100","0.11","100","0.11","","","","","","","","5","R -3 :H","-R 3","148","","","","- C210 H162 Cl6 Cu24 O72 -","- C210 H162 Cl6 Cu24 O72 -","- C630 H486 Cl18 Cu72 O216 -","3","0.166667","","Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan","Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C<sub>60</sub>@Cu<sub>24</sub> Rhombicuboctahedron.","Journal of the American Chemical Society","2020","142","13","5943","5947","10.1021/jacs.0c00090","","x-ray","1.54184","CuKα","","0.0598","0.0547","","","0.1495","0.1539","","","","","","1.07","","","","has coordinates,has disorder","250066","2020-10-21","18:00:00",""
"4134522","10.3229","0.0003","10.4949","0.0003","12.5496","0.0003","103.081","0.0013","93.1613","0.0013","99.9907","0.0011","1297.9","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H31 B N4 -","- C29 H31 B N4 -","- C58 H62 B2 N8 -","2","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","1,4-Hydroboration Reactions of Electron-Poor Aromatic Rings by N-Heterocyclic Carbene Boranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00490","","","1.54178","CuKα","","0.0467","0.0446","","","0.1575","0.1599","","","","","","2.078","","","","has coordinates","249656","2020-10-21","18:00:00",""
"4134523","7.4387","0.0003","14.1565","0.0006","13.7009","0.0006","90","","101.908","0.002","90","","1411.74","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 B N3 O2 -","- C14 H16 B N3 O2 -","- C56 H64 B4 N12 O8 -","4","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","1,4-Hydroboration Reactions of Electron-Poor Aromatic Rings by N-Heterocyclic Carbene Boranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00490","","","1.54178","CuKα","","0.0454","0.0412","","","0.1366","0.1398","","","","","","1.687","","","","has coordinates","249657","2020-10-21","18:00:00",""
"4134524","8.2143","0.0006","11.985","0.0007","13.161","0.001","90","","90","","90","","1295.68","0.16","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 B N4 -","- C13 H15 B N4 -","- C52 H60 B4 N16 -","4","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","1,4-Hydroboration Reactions of Electron-Poor Aromatic Rings by N-Heterocyclic Carbene Boranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00490","","","1.54184","CuKα","","0.0725","0.0657","","","0.1514","0.1576","","","","","","1.125","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4134525","42.4955","0.0011","42.4955","0.0011","42.4955","0.0011","90","","90","","90","","76741","3","150","2","150.01","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H114 N26 O22.33 P1.33 -","- C90 H114 N26 O22.3333 P1.33333 -","- C2160 H2735.99 N624 O536 P32 -","24","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54178","CuKα","","0.1561","0.1173","","","0.3064","0.3463","","","","","","1.003","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134526","42.271","0.006","42.271","","42.271","","90","","90","","90","","75531","11","150","2","150.02","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H110 N26 O22.33 P1.33 -","- C90 H110 N26 O22.3333 P1.33333 -","- C2160 H2640 N624 O536 P32 -","24","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54178","CuKα","","0.1427","0.108","","","0.2926","0.3237","","","","","","1.012","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134527","32.2178","0.0019","32.2178","0.0019","32.2178","0.0019","90","","90","","90","","33442","3","150","2","150.02","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C86 H108 N24 O22.33 P1.33 -","- C86 H87.9999 N24 O22.3333 P1.33333 -","- C1032 H1056 N288 O268 P16 -","12","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54178","CuKα","","0.1445","0.1203","","","0.315","0.3444","","","","","","1.074","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134528","32.135","0.004","32.135","","32.135","","90","","90","","90","","33184","4","150","2","150.02","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C86 H89 N24 O22.33 P1.33 -","- C86 H88.9998 N24 O22.3333 P1.33333 -","- C1032 H1068 N288 O268 P16 -","12","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54184","CuKα","","0.0766","0.0725","","","0.2063","0.2144","","","","","","1.06","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134529","4.5525","0.0009","7.9999","0.0016","9.5565","0.0019","90","","99.77","0.03","90","","343","0.12","200","2","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Cs F O7 P2 Si -","- Cs F O7 P2 Si -","- Cs2 F2 O14 P4 Si2 -","2","1","","Ding, Qingran; Liu, Xiaomeng; Zhao, Sangen; Wang, Yusong; Li, Yanqiang; Li, Lina; Liu, Shuai; Lin, Zheshuai; Hong, Maochun; Luo, Junhua","Designing a Deep-UV Nonlinear Optical Fluorooxosilicophosphate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00060","","","0.71073","MoKα","","0.065","0.0495","","","0.1073","0.1163","","","","","","1.084","","","","has coordinates","249663","2020-10-21","18:00:00",""
"4134530","9.9447","0.0012","9.9447","0.0012","10.1091","0.0013","90","","90","","90","","999.8","0.2","299","2","299.45","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- In8 Ir2 Se -","- In8 Ir2 Se -","- In32 Ir8 Se4 -","4","0.25","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","","0.71073","MoKα","","0.0286","0.0285","","","0.0639","0.0639","","","","","","1.187","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134531","10.005","0.004","10.007","0.004","10.196","0.004","90","","90","","89.991","0.008","1020.8","0.7","115","","115","","","","","","","","","3","P 1 1 m","P -2","6","","","","- In8 Ir2 Te -","- In8 Ir2 Te -","- In32 Ir8 Te4 -","4","2","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","x-ray","0.71073","MoKα","","0.1237","0.0747","","","0.1218","0.1314","","","","3.6","3.6","2.37","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134532","9.92","0.0006","9.9262","0.0006","10.1092","0.0006","90","","90","","89.9995","","995.43","0.1","120","","120","","","","","","","","","3","P 1 1 m","P -2","6","","","","- In8 Ir2 Se -","- In8 Ir2 Se -","- In32 Ir8 Se4 -","4","2","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","x-ray","0.71073","MoKα","","0.0749","0.0513","","","0.1085","0.1101","","","","3.32","3.32","2.45","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134533","9.92","0.0014","9.92","0.0014","10.14","0.002","90","","90","","90","","997.8","0.3","299","","299","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- In8 Ir2 S -","- In8 Ir2 S -","- In32 Ir8 S4 -","4","0.25","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","","0.71073","MoKα","","0.0224","0.022","","","0.0463","0.0465","","","","","","1.162","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134534","10.124","0.008","10.124","0.008","10.291","0.009","90","","90","","90","","1054.8","1.5","299","","299","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- In8 Ir2 Te -","- In8 Ir2 Te -","- In32 Ir8 Te4 -","4","0.25","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","","0.71073","MoKα","","0.0383","0.0254","","","0.0472","0.0511","","","","","","1.081","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134535","11.6067","0.0001","26.8486","0.0003","8.9726","0.0001","90","","90","","90","","2796.07","0.05","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C65.5 H61 Cl3 O2 -","- C65.5 H61 Cl3 O2 -","- C131 H122 Cl6 O4 -","2","0.5","","Miró, Javier; Gensch, Tobias; Ellwart, Mario; Han, Seo-Jung; Lin, Hsin-Hui; Sigman, Matthew S.; Toste, F. Dean","Enantioselective Allenoate-Claisen Rearrangement Using Chiral Phosphate Catalysts.","Journal of the American Chemical Society","2020","142","13","6390","6399","10.1021/jacs.0c01637","","","1.54184","CuKα","","0.0556","0.0537","","","0.1504","0.1522","","","","","","1.067","","","","has coordinates","250061","2020-10-21","18:00:00",""
"4134536","8.7338","0.0001","13.7551","0.0002","14.4231","0.0002","90","","90","","90","","1732.71","0.04","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 B F4 N -","- C17 H24 B F4 N -","- C68 H96 B4 F16 N4 -","4","1","","Miró, Javier; Gensch, Tobias; Ellwart, Mario; Han, Seo-Jung; Lin, Hsin-Hui; Sigman, Matthew S.; Toste, F. Dean","Enantioselective Allenoate-Claisen Rearrangement Using Chiral Phosphate Catalysts.","Journal of the American Chemical Society","2020","142","13","6390","6399","10.1021/jacs.0c01637","","","1.54184","CuKα","","0.0419","0.0401","","","0.1056","0.1069","","","","","","1.042","","","","has coordinates,has disorder","250061","2020-10-21","18:00:00",""
"4134537","8.8378","0.0002","12.492","0.0003","16.4162","0.0003","76.737","0.002","78.709","0.002","79.504","0.002","1711.92","0.07","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H58 Ni O P2 -","- C38 H58 Ni O P2 -","- C76 H116 Ni2 O2 P4 -","2","1","","Malapit, Christian A.; Borrell, Margarida; Milbauer, Michael W.; Brigham, Conor E.; Sanford, Melanie S.","Nickel-Catalyzed Decarbonylative Amination of Carboxylic Acid Esters.","Journal of the American Chemical Society","2020","142","13","5918","5923","10.1021/jacs.9b13531","","","1.54184","CuKα","","0.0411","0.0407","","","0.1111","0.1115","","","","","","1.062","","","","has coordinates","250064","2020-10-21","18:00:00",""
"4134538","13.1407","0.0002","18.4231","0.0004","16.9248","0.0003","90","","106.562","0.002","90","","3927.37","0.13","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H59 N Ni P2 -","- C40 H59 N Ni P2 -","- C160 H236 N4 Ni4 P8 -","4","1","","Malapit, Christian A.; Borrell, Margarida; Milbauer, Michael W.; Brigham, Conor E.; Sanford, Melanie S.","Nickel-Catalyzed Decarbonylative Amination of Carboxylic Acid Esters.","Journal of the American Chemical Society","2020","142","13","5918","5923","10.1021/jacs.9b13531","","","1.54184","CuKα","","0.0915","0.0808","","","0.2179","0.2327","","","","","","1.05","","","","has coordinates","250064","2020-10-21","18:00:00",""
"4134539","11.806","0.003","3.8446","0.001","13.595","0.004","90","","113.794","0.008","90","","564.6","0.3","108","2","108","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-23","","","- C12 H6 Cl2 F2 N2 -","- C12 H6 Cl2 F2 N2 -","- C24 H12 Cl4 F4 N4 -","2","0.5","","Konrad, David B.; Savasci, Gökcen; Allmendinger, Lars; Trauner, Dirk; Ochsenfeld, Christian; Ali, Ahmed M.","Computational Design and Synthesis of a Deeply Red-Shifted and Bistable Azobenzene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b10430","","","0.71073","MoKα","","0.0579","0.0514","","","0.108","0.1112","","","","","","1.225","","","","has coordinates","249708","2020-10-21","18:00:00",""
"4134540","8.14609","0.00018","8.27819","0.00016","32.932","0.0006","94.3451","0.0016","92.6148","0.0017","118.514","0.002","1937.28","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","621","","","- C12 H6 Cl4 N2 -","- C12 H6 Cl4 N2 -","- C72 H36 Cl24 N12 -","6","3","","Konrad, David B.; Savasci, Gökcen; Allmendinger, Lars; Trauner, Dirk; Ochsenfeld, Christian; Ali, Ahmed M.","Computational Design and Synthesis of a Deeply Red-Shifted and Bistable Azobenzene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b10430","","","0.71073","MoKα","","0.0372","0.0318","","","0.0717","0.0754","","","","","","1.02","","","","has coordinates","249708","2020-10-21","18:00:00",""
"4134541","10.9223","0.0006","7.4039","0.0004","16.2847","0.0009","90","","107.709","0.006","90","","1254.5","0.13","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","621-cis","","","- C12 H6 Cl4 N2 -","- C12 H6 Cl4 N2 -","- C48 H24 Cl16 N8 -","4","1","","Konrad, David B.; Savasci, Gökcen; Allmendinger, Lars; Trauner, Dirk; Ochsenfeld, Christian; Ali, Ahmed M.","Computational Design and Synthesis of a Deeply Red-Shifted and Bistable Azobenzene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b10430","","","0.71073","MoKα","","0.0541","0.0379","","","0.081","0.0913","","","","","","1.071","","","","has coordinates","249708","2020-10-21","18:00:00",""
"4134542","38.053","0.002","24.796","0.0014","37.323","0.002","90","","103.43","0.001","90","","34254","3","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- In16 Mn4 S43 Sb6 -","- In16 Mn4 S43 Sb6 -","- In128 Mn32 S344 Sb48 -","8","1","","Liu, Yong; Zhang, Jiaxu; Han, Bing; Wang, Xiang; Wang, Zhiqiang; Xue, Chaozhuang; Bian, Guoqing; Hu, Dandan; Zhou, Rui; Li, Dong-Sheng; Wang, Zhenxing; Ouyang, Zhongwen; Li, Mingde; Wu, Tao","New Insights into Mn-Mn Coupling Interaction-Directed Photoluminescence Quenching Mechanism in Mn<sup>2+</sup>-Doped Semiconductors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00156","","","0.71073","MoKα","","0.0724","0.0446","","","0.1443","0.1698","","","","","","1.255","","","","has coordinates","249709","2020-10-21","18:00:00",""
"4134543","13.2136","0.0006","17.6293","0.0005","24.0942","0.0011","90","","102.685","0.004","90","","5475.7","0.4","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H53 Br Cl8 N6 Ni2 -","- C55 H53 Br Cl8 N6 Ni2 -","- C220 H212 Br4 Cl32 N24 Ni8 -","4","1","","Stevens, Hendrik; Duan, Peng-Cheng; Dechert, Sebastian; Meyer, Franc","Competing H2 versus Intramolecular C-H Activation at a Dinuclear Nickel Complex via Metal-Metal Cooperative Oxidative Addition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00758","","","0.71073","MoKα","","0.0539","0.0393","","","0.0863","0.0913","","","","","","1.05","","","","has coordinates,has disorder","249739","2020-10-21","18:00:00",""
"4134544","16.8007","0.0011","15.0508","0.0007","17.0678","0.001","90","","106.969","0.005","90","","4127.9","0.4","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H45 K N6 Ni2 -","- C51 H45 K N6 Ni2 -","- C204 H180 K4 N24 Ni8 -","4","1","","Stevens, Hendrik; Duan, Peng-Cheng; Dechert, Sebastian; Meyer, Franc","Competing H2 versus Intramolecular C-H Activation at a Dinuclear Nickel Complex via Metal-Metal Cooperative Oxidative Addition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00758","","","0.71073","MoKα","","0.1253","0.0643","","","0.1002","0.1155","","","","","","1.009","","","","has coordinates,has disorder","249739","2020-10-21","18:00:00",""
"4134545","15.3579","0.0003","17.4833","0.0002","27.2615","0.0005","90","","95.238","0.001","90","","7289.3","0.2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H99 K N8 Ni2 O8 -","- C77 H99 K N8 Ni2 O8 -","- C308 H396 K4 N32 Ni8 O32 -","4","1","","Stevens, Hendrik; Duan, Peng-Cheng; Dechert, Sebastian; Meyer, Franc","Competing H2 versus Intramolecular C-H Activation at a Dinuclear Nickel Complex via Metal-Metal Cooperative Oxidative Addition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00758","","","0.71073","MoKα","","0.0495","0.034","","","0.0828","0.0906","","","","","","1.051","","","","has coordinates,has disorder","249739","2020-10-21","18:00:00",""
"4134546","14.29","0.0003","18.501","0.0004","19.5019","0.0005","80.688","0.002","82.043","0.002","81.867","0.002","5001.4","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H61.25 N6 Na Ni2 O2 -","- C59 H61.25 N6 Na Ni2 O2 -","- C236 H245 N24 Na4 Ni8 O8 -","4","2","","Stevens, Hendrik; Duan, Peng-Cheng; Dechert, Sebastian; Meyer, Franc","Competing H2 versus Intramolecular C-H Activation at a Dinuclear Nickel Complex via Metal-Metal Cooperative Oxidative Addition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00758","","","0.71073","MoKα","","0.0432","0.0327","","","0.0809","0.0873","","","","","","1.036","","","","has coordinates,has disorder","249739","2020-10-21","18:00:00",""
"4134547","12.7288","0.0007","15.5","0.0007","17.7274","0.0009","112.663","0.004","92.988","0.004","99.314","0.004","3159.7","0.3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C67.25 H80 N6 Na Ni2 O3.75 -","- C67.25 H80 N6 Na Ni2 O3.75 -","- C134.5 H160 N12 Na2 Ni4 O7.5 -","2","1","","Stevens, Hendrik; Duan, Peng-Cheng; Dechert, Sebastian; Meyer, Franc","Competing H2 versus Intramolecular C-H Activation at a Dinuclear Nickel Complex via Metal-Metal Cooperative Oxidative Addition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00758","","","0.71073","MoKα","","0.0903","0.049","","","0.1066","0.1192","","","","","","0.957","","","","has coordinates,has disorder","249739","2020-10-21","18:00:00",""
"4134548","30.8579","0.0005","14.7943","0.0003","25.3281","0.0004","90","","95.187","0.001","90","","11515.5","0.4","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H71 K N6 Ni2 O3.5 -","- C68 H71 K N6 Ni2 O3.5 -","- C544 H568 K8 N48 Ni16 O28 -","8","1","","Stevens, Hendrik; Duan, Peng-Cheng; Dechert, Sebastian; Meyer, Franc","Competing H2 versus Intramolecular C-H Activation at a Dinuclear Nickel Complex via Metal-Metal Cooperative Oxidative Addition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00758","","","0.71073","MoKα","","0.046","0.0366","","","0.0954","0.1014","","","","","","1.063","","","","has coordinates,has disorder","249739","2020-10-21","18:00:00",""
"4134549","27.7413","0.0005","10.6411","0.0002","20.9606","0.0004","90","","108.051","0.001","90","","5882.98","0.19","133","2","133","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C57 H55 N6 Na0.5 Ni2 O1.5 -","- C57 H55 N6 Na0.5 Ni2 O1.5 -","- C228 H220 N24 Na2 Ni8 O6 -","4","1","","Stevens, Hendrik; Duan, Peng-Cheng; Dechert, Sebastian; Meyer, Franc","Competing H2 versus Intramolecular C-H Activation at a Dinuclear Nickel Complex via Metal-Metal Cooperative Oxidative Addition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00758","","","0.71073","MoKα","","0.0462","0.0336","","","0.0827","0.0881","","","","","","1.031","","","","has coordinates,has disorder","249739","2020-10-21","18:00:00",""
"4134550","6.0928","0.0003","9.2223","0.0005","35.161","0.002","90","","91.673","0.002","90","","1974.84","0.18","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MRM-2-013","MRM-2-013","","- C18 H16 F6 O7 S -","- C18 H16 F6 O7 S -","- C72 H64 F24 O28 S4 -","4","1","","Dibrell, Sara E.; Maser, Michael R.; Reisman, Sarah E.","SeO<sub>2</sub>-Mediated Oxidative Transposition of Pauson-Khand Products.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13818","","","0.71073","MoKα","","0.0357","0.0326","","","0.0807","0.082","","","","","","1.09","","","","has coordinates","249740","2020-10-21","18:00:00",""
"4134551","10.2573","0.0003","11.517","0.0003","14.0879","0.0003","90","","106.2","0.003","90","","1598.17","0.08","120","0.1","120","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","1","","Qu, Yongzheng; Wang, Zheyuan; Zhang, Zhongchao; Zhang, Wendou; Huang, Jun; Yang, Zhen","Asymmetric Total Synthesis of (+)-Waihoensene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02143","","x-ray","1.54184","CuKα","","0.0498","0.0471","","","0.1249","0.1283","","","","","","1.028","","","","has coordinates","249741","2020-10-21","18:00:00",""
"4134552","7.3618","0.0001","12.5083","0.0002","27.8448","0.0004","90","","90","","90","","2564.05","0.07","108","12","108","12","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C128 H160 O16 -","8","2","","Qu, Yongzheng; Wang, Zheyuan; Zhang, Zhongchao; Zhang, Wendou; Huang, Jun; Yang, Zhen","Asymmetric Total Synthesis of (+)-Waihoensene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02143","","x-ray","1.54184","CuKα","","0.0453","0.044","","","0.1161","0.1173","","","","","","1.073","","","","has coordinates","249742","2020-10-21","18:00:00",""
"4134553","12.8029","0.0003","13.1575","0.0002","16.201","0.0004","79.9877","0.0016","75.692","0.002","62.241","0.002","2334.63","0.1","183","1","183","1","","","","","","","","7","P -1","-P 1","2","","","","- C41 H38.5 F12 N6 O1.25 P2 Ru -","- C41 H38.5 F12 N6 O1.25 P2 Ru -","- C82 H77 F24 N12 O2.5 P4 Ru2 -","2","1","","Karges, Johannes; Heinemann, Franz; Jakubaszek, Marta; Maschietto, Federica; Subecz, Chloé; Dotou, Mazzarine; Vinck, Robin; Blacque, Olivier; Tharaud, Mickaël; Goud, Bruno; Viñuelas Zahı Nos, Emilio; Spingler, Bernhard; Ciofini, Ilaria; Gasser, Gilles","Rationally Designed Long-Wavelength Absorbing Ru(II) Polypyridyl Complexes as Photosensitizers for Photodynamic Therapy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13620","","x-ray","1.54184","CuKα","","0.0523","0.0491","","","0.1495","0.1562","","","","","","1.089","","","","has coordinates,has disorder","249743","2020-10-21","18:00:00",""
"4134554","11.4219","0.0003","12.376","0.0003","15.0464","0.0004","90.834","0.002","98.147","0.002","101.02","0.002","2064.73","0.09","183","1","183","1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H28 Br2 F12 N8 P2 Ru -","- C38 H28 Br2 F12 N8 P2 Ru -","- C76 H56 Br4 F24 N16 P4 Ru2 -","2","1","","Karges, Johannes; Heinemann, Franz; Jakubaszek, Marta; Maschietto, Federica; Subecz, Chloé; Dotou, Mazzarine; Vinck, Robin; Blacque, Olivier; Tharaud, Mickaël; Goud, Bruno; Viñuelas Zahı Nos, Emilio; Spingler, Bernhard; Ciofini, Ilaria; Gasser, Gilles","Rationally Designed Long-Wavelength Absorbing Ru(II) Polypyridyl Complexes as Photosensitizers for Photodynamic Therapy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13620","","x-ray","0.71073","MoKα","","0.0488","0.0398","","","0.102","0.1096","","","","","","1.031","","","","has coordinates,has disorder","249744","2020-10-21","18:00:00",""
"4134555","12.4678","0.0003","27.4167","0.0004","13.2004","0.0003","90","","118.159","0.003","90","","3978.18","0.18","183","1","183","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 F12 N8 P2 Ru -","- C36 H27 F12 N7 P2 Ru -","- C144 H108 F48 N28 P8 Ru4 -","4","1","","Karges, Johannes; Heinemann, Franz; Jakubaszek, Marta; Maschietto, Federica; Subecz, Chloé; Dotou, Mazzarine; Vinck, Robin; Blacque, Olivier; Tharaud, Mickaël; Goud, Bruno; Viñuelas Zahı Nos, Emilio; Spingler, Bernhard; Ciofini, Ilaria; Gasser, Gilles","Rationally Designed Long-Wavelength Absorbing Ru(II) Polypyridyl Complexes as Photosensitizers for Photodynamic Therapy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13620","","x-ray","1.54184","CuKα","","0.0782","0.0756","","","0.1785","0.1799","","","","","","1.15","","","","has coordinates","249745","2020-10-21","18:00:00",""
"4134556","8.0988","0.0004","27.1807","0.0012","20.3015","0.0009","90","","97.604","0.004","90","","4429.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H16 F32 N6.67 O5.33 -","- C62 H16 F32 N6.66667 O5.33333 -","- C186 H48 F96 N20 O16 -","3","0.75","","Ning, YingYing; Liu, Yi-Wei; Yang, Zi-Shu; Yao, Yuhang; Kang, Lei; Sessler, Jonathan L.; Zhang, Jun-Long","Split and Use: Structural Isomers for Diagnosis and Therapy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01155","","","1.54184","CuKα","","0.1094","0.0822","","","0.3082","0.3229","","","","","","1.146","","","","has coordinates","249746","2020-10-21","18:00:00",""
"4134557","14.376","0.0004","15.2336","0.0004","15.5883","0.0004","69.269","0.002","80.43","0.002","89.657","0.002","3143.17","0.15","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C58 H35 Co F24 N4 O14 P3 Yb -","- C58 H31 Co F24 N4 O14 P3 Yb -","- C116 H62 Co2 F48 N8 O28 P6 Yb2 -","2","1","","Ning, YingYing; Liu, Yi-Wei; Yang, Zi-Shu; Yao, Yuhang; Kang, Lei; Sessler, Jonathan L.; Zhang, Jun-Long","Split and Use: Structural Isomers for Diagnosis and Therapy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01155","","","0.71073","MoKα","","0.0646","0.0492","","","0.1077","0.1193","","","","","","1.049","","","","has coordinates","249747","2020-10-21","18:00:00",""
"4134558","16.3562","0.0006","10.8491","0.0004","30.2782","0.001","90","","90.232","0.003","90","","5372.8","0.3","180","0.1","180","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H12 Cl9 F24 N5 O4 -","- C48 H12 Cl9 F24 N5 O4 -","- C192 H48 Cl36 F96 N20 O16 -","4","1","","Ning, YingYing; Liu, Yi-Wei; Yang, Zi-Shu; Yao, Yuhang; Kang, Lei; Sessler, Jonathan L.; Zhang, Jun-Long","Split and Use: Structural Isomers for Diagnosis and Therapy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01155","","","0.71073","MoKα","","0.0796","0.0501","","","0.1042","0.1148","","","","","","1.018","","","","has coordinates","249748","2020-10-21","18:00:00",""
"4134559","16.2705","0.0002","16.7757","0.0004","28.5174","0.0007","79.887","0.002","77.355","0.002","70.447","0.002","7112.6","0.3","179.98","0.11","179.98","0.11","","","","","","","","8","P -1","-P 1","2","","","","- C56 H30 Co F24 N5 O13 P3 Yb -","- C56 H30 Co F24 N5 O13 P3 Yb -","- C224 H120 Co4 F96 N20 O52 P12 Yb4 -","4","2","","Ning, YingYing; Liu, Yi-Wei; Yang, Zi-Shu; Yao, Yuhang; Kang, Lei; Sessler, Jonathan L.; Zhang, Jun-Long","Split and Use: Structural Isomers for Diagnosis and Therapy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01155","","","0.71073","MoKα","","0.1119","0.0734","","","0.1521","0.1644","","","","","","1.078","","","","has coordinates,has disorder","249749","2020-10-21","18:00:00",""
"4134560","16.2885","0.0012","25.4252","0.0016","9.9795","0.0006","90","","92.951","0.006","90","","4127.4","0.5","293","","293","","","","","","","","","5","I 1 m 1","I -2y","8","","","","- C6 H10 I6 N2 Sn2 -","- C6 H10 I6 N2 Sn2 -","- C48 H80 I48 N16 Sn16 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.055","0.0339","","","0.0306","0.0321","","","","1.48","1.48","1.34","","","","has coordinates","249750","2020-10-21","18:00:00",""
"4134561","25.696","0.005","10.153","0.002","16.283","0.003","90","","90.036","","90","","4248.1","1.4","298","","298","","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C6 H10 I6 N2 Pb2 -","- C6 H10 I6 N2 Pb2 -","- C48 H80 I48 N16 Pb16 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.0506","0.0393","","","0.0401","0.0411","","","","2.25","2.25","2.12","","","","has coordinates","249751","2020-10-21","18:00:00",""
"4134562","16.3185","0.0012","25.4637","0.0016","10.0068","0.0006","90","","92.49","0.006","90","","4154.2","0.5","293","","293","","","","","","","","","5","I 1 m 1","I -2y","8","","","","- C6 H10 I6 N2 Sn2 -","- C6 H10 I6 N2 Sn2 -","- C48 H80 I48 N16 Sn16 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.0741","0.0557","","","0.0939","0.0952","","","","4.84","4.84","4.34","","","","has coordinates","249752","2020-10-21","18:00:00",""
"4134563","16.2208","0.0012","25.4537","0.0016","10.0307","0.0006","90","","91.466","0.006","90","","4140.1","0.5","293","","293","","","","","","","","","5","I 1 m 1","I -2y","8","","","","- C6 H10 I6 N2 Sn2 -","- C6 H10 I6 N2 Sn2 -","- C48 H80 I48 N16 Sn16 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.0979","0.0705","","","0.0688","0.0699","","","","3.53","3.53","3.14","","","","has coordinates","249753","2020-10-21","18:00:00",""
"4134564","16.3397","0.0012","25.552","0.0016","10.0204","0.0006","90","","93.13","0.006","90","","4177.4","0.5","293","","293","","","","","","","","","6","I 1 m 1","I -2y","8","","","","- C6 H10 I6 N2 Pb0.91 Sn1.09 -","- C6 H10 I6 N2 Pb0.9045 Sn1.0955 -","- C48 H80 I48 N16 Pb7.236 Sn8.764 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.0831","0.0523","","","0.071","0.0728","","","","3.31","3.31","2.87","","","","has coordinates","249754","2020-10-21","18:00:00",""
"4134565","16.3698","0.0012","25.6376","0.0016","10.0435","0.0006","90","","93.198","0.006","90","","4208.5","0.5","293","","293","","","","","","","","","5","I 1 m 1","I -2y","8","","","","- C6 H10 I6 N2 Pb2 -","- C6 H10 I6 N2 Pb2 -","- C48 H80 I48 N16 Pb16 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.0598","0.0542","","","0.0595","0.0598","","","","3.53","3.53","3.35","","","","has coordinates","249755","2020-10-21","18:00:00",""
"4134566","13.094","0.0019","13.229","0.002","21.32","0.003","79.228","0.004","80.542","0.004","66.249","0.004","3304.4","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H70 B3 F12 Fe2 N15 O6 -","- C52 H70 B3 F12 Fe2 N15 O6 -","- C104 H140 B6 F24 Fe4 N30 O12 -","2","1","","Jana, Manish; White, Corey J.; Pal, Nabhendu; Demeshko, Serhiy; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Models for the Mono- and Di-nitrosyl Intermediates of FNORs: Semireduction versus Superreduction of NO.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13795","","x-ray","0.71073","MoKα","","0.2176","0.0967","","","0.2368","0.3057","","","","","","1.01","","","","has coordinates,has disorder","249791","2020-10-21","18:00:00",""
"4134567","11.489","0.004","16.691","0.006","17.688","0.006","85.673","0.005","84.727","0.005","69.969","0.004","3169.7","1.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H78 B3 F12 Fe2 N14 O6 -","- C55 H78 B3 F12 Fe2 N14 O6 -","- C110 H156 B6 F24 Fe4 N28 O12 -","2","1","","Jana, Manish; White, Corey J.; Pal, Nabhendu; Demeshko, Serhiy; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Models for the Mono- and Di-nitrosyl Intermediates of FNORs: Semireduction versus Superreduction of NO.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13795","","x-ray","0.71073","MoKα","","0.1519","0.0786","","","0.1833","0.2247","","","","","","1.024","","","","has coordinates,has disorder","249791","2020-10-21","18:00:00",""
"4134568","29.597","0.003","14.1253","0.0012","29.688","0.003","90","","90","","90","","12412","2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C104 H142 B4 F16 Fe4 N26 O10 -","- C104 H142 B4 F16 Fe4 N26 O10 -","- C416 H568 B16 F64 Fe16 N104 O40 -","4","1","","Jana, Manish; White, Corey J.; Pal, Nabhendu; Demeshko, Serhiy; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Models for the Mono- and Di-nitrosyl Intermediates of FNORs: Semireduction versus Superreduction of NO.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13795","","x-ray","0.71073","MoKα","","0.085","0.0596","","","0.1446","0.1645","","","","","","1.023","","","","has coordinates,has disorder","249791","2020-10-21","18:00:00",""
"4134569","18.424","0.006","18.6","0.006","21.629","0.006","113.567","0.007","90.687","0.008","116.641","0.008","5905","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H100 B4 F16 Fe4 N20 O5 -","- C86 H100 B4 F16 Fe4 N20 O5 -","- C172 H200 B8 F32 Fe8 N40 O10 -","2","1","","Jana, Manish; White, Corey J.; Pal, Nabhendu; Demeshko, Serhiy; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Models for the Mono- and Di-nitrosyl Intermediates of FNORs: Semireduction versus Superreduction of NO.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13795","","x-ray","0.71073","MoKα","","0.2657","0.1606","","","0.409","0.475","","","","","","1.317","","","","has coordinates,has disorder","249791","2020-10-21","18:00:00",""
"4134570","30.4981","0.0011","30.4981","0.0011","11.5146","0.0004","90","","90","","120","","9275.2","0.6","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30.67 H26.67 Cu4 I4 N6 O0.67 P2 -","- C30.6666 H26.6664 Cu4 I4 N6 O0.6666 P2 -","- C275.999 H239.998 Cu36 I36 N54 O5.9994 P18 -","9","0.5","","Liu, Chun-Yu; Chen, Xu-Ran; Chen, Hui-Xian; Niu, Zheng; Hirao, Hajime; Braunstein, Pierre; Lang, Jian-Ping","Ultrafast Luminescent Light-Up Guest Detection Based on the Lock of the Host Molecular Vibration.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00368","","","0.71073","MoKα","","0.0727","0.0392","","","0.0866","0.1128","","","","","","1.057","","","","has coordinates,has disorder","249792","2020-10-21","18:00:00",""
"4134571","30.0438","0.0012","30.0438","0.0012","11.4013","0.0005","90","","90","","120","","8912.4","0.6","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C31.33 H28 Cu4 I4 N6 O0.67 P2 -","- C31.3332 H27.9996 Cu4 I4 N6 O0.6666 P2 -","- C281.999 H251.996 Cu36 I36 N54 O5.9994 P18 -","9","0.5","","Liu, Chun-Yu; Chen, Xu-Ran; Chen, Hui-Xian; Niu, Zheng; Hirao, Hajime; Braunstein, Pierre; Lang, Jian-Ping","Ultrafast Luminescent Light-Up Guest Detection Based on the Lock of the Host Molecular Vibration.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00368","","","0.71073","MoKα","","0.1423","0.1032","","","0.2967","0.3437","","","","","","1.118","","","","has coordinates,has disorder","249792","2020-10-21","18:00:00",""
"4134572","10.0085","0.0011","20.427","0.002","14.7521","0.0016","90","","102.161","0.002","90","","2948.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 N O8 S -","- C32 H31 N O8 S -","- C128 H124 N4 O32 S4 -","4","1","","Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun","Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00403","","","0.71073","MoKα","","0.0744","0.0462","","","0.1129","0.1278","","","","","","1.035","","","","has coordinates","249793","2020-10-21","18:00:00",""
"4134573","10.755","0.003","13.715","0.004","11.281","0.003","90","","100.786","0.004","90","","1634.6","0.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H42 N2 O5 S -","- C36 H42 N2 O5 S -","- C72 H84 N4 O10 S2 -","2","1","","Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun","Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00403","","","0.71073","MoKα","","0.055","0.0441","","","0.1248","0.1417","","","","","","1.058","","","","has coordinates","249794","2020-10-21","18:00:00",""
"4134574","7.1258","0.0011","11.6075","0.0017","17.716","0.003","99.633","0.003","90.185","0.003","103.543","0.003","1403.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 Br N O6 S -","- C30 H28 Br N O6 S -","- C60 H56 Br2 N2 O12 S2 -","2","1","","Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun","Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00403","","","0.71073","MoKα","","0.0818","0.0467","","","0.0993","0.1249","","","","","","1.023","","","","has coordinates","249795","2020-10-21","18:00:00",""
"4134575","10.4805","0.0019","14.527","0.003","15.293","0.003","90","","100.045","0.003","90","","2292.7","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 I N2 Pd -","- C27 H23 I N2 Pd -","- C108 H92 I4 N8 Pd4 -","4","1","","Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun","Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00403","","","0.71073","MoKα","","0.0338","0.0262","","","0.0621","0.0659","","","","","","1.087","","","","has coordinates","249796","2020-10-21","18:00:00",""
"4134576","10.262","0.002","11.446","0.003","12.83","0.003","72.823","0.004","78.115","0.004","75.963","0.004","1382","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H27 Cl N2 O6 S -","- C29 H27 Cl N2 O6 S -","- C58 H54 Cl2 N4 O12 S2 -","2","1","","Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun","Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00403","","","0.71073","MoKα","","0.1177","0.0683","","","0.1821","0.2242","","","","","","1.053","","","","has coordinates","249797","2020-10-21","18:00:00",""
"4134577","9.2157","0.0019","10.454","0.002","13.746","0.003","92.427","0.003","93.426","0.003","92.778","0.004","1319","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H33 N O4 S -","- C31 H33 N O4 S -","- C62 H66 N2 O8 S2 -","2","1","","Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun","Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00403","","","0.71073","MoKα","","0.1089","0.0658","","","0.1641","0.2223","","","","","","0.99","","","","has coordinates","249798","2020-10-21","18:00:00",""
"4134578","18.317","0.004","15.482","0.004","18.981","0.004","90","","94.555","0.005","90","","5366","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N2 O4 S2 -","- C30 H26 N2 O4 S2 -","- C240 H208 N16 O32 S16 -","8","2","","Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun","Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00403","","","0.71073","MoKα","","0.181","0.0724","","","0.1443","0.1918","","","","","","1.091","","","","has coordinates","249799","2020-10-21","18:00:00",""
"4134579","19.7144","0.0004","19.2488","0.0004","20.5275","0.0004","90","","109.682","0.002","90","","7334.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C83.5 H34.47 Au F30 N6 O Pd -","- C83.5 H34.472 Au F30 N6 O Pd -","- C334 H137.888 Au4 F120 N24 O4 Pd4 -","4","1","","Wang, Yue; Kai, Hiroto; Ishida, Masatoshi; Gokulnath, Sabapathi; Mori, Shigeki; Murayama, Tomotaka; Muranaka, Atsuya; Uchiyama, Masanobu; Yasutake, Yuhsuke; Fukatsu, Susumu; Notsuka, Yusuke; Yamaoka, Yoshihisa; Hanafusa, Mamiko; Yoshizawa, Michito; Kim, Gakhyun; Kim, Dongho; Furuta, Hiroyuki","Synthesis of a Black Dye with Absorption Capabilities Across the Visible-to-Near-Infrared Region: A MO-Mixing Approach via Heterometal Coordination of Expanded Porphyrinoid.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01824","","","0.71073","MoKα","","0.071","0.0463","","","0.0986","0.1072","","","","","","1.048","","","","has coordinates,has disorder","249838","2020-10-21","18:00:00",""
"4134580","73.5784","0.0008","73.5784","0.0008","73.5784","0.0008","90","","90","","90","","398337","8","298","","298","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","MUV-101(Co)","- C306 H102 Co34 O390.8 Ti17 -","- C306 H102 Co34 O390.8 Ti17 -","- C4896 H1632 Co544 O6252.8 Ti272 -","16","0.0833333","","M Padial, Natalia; Lerma-Berlanga, Belen; Almora-Barrios, Neyvis; Castells-Gil, Javier; da Silva, Ivan; de la Mata, María; Molina, Sergio I.; Hernández-Saz, Jesús; Platero-Prats, Ana E; Tatay, Sergio; Marti-Gastaldo, Carlos","Heterometallic titanium-organic frameworks by metal-induced dynamic topological transformations.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00117","powder diffraction","","0.442655","synchrotron","","3.79005","","","","","","","","1.77258","","","","","","","has coordinates","249839","2020-10-21","18:00:00",""
"4134581","24.196","0.005","17.771","0.004","10.927","0.002","90","","92.74","0.03","90","","4693.1","1.7","100","0.1","100","0.01","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mg-CUK-1L incl. o-Xylene","","","- C50 H46 Mg3 N2 O10 -","- C50 H46 Mg3 N2 O10 -","- C200 H184 Mg12 N8 O40 -","4","0.5","","He, Junpeng; Aggarwal, Kanchan; Katyal, Naman; He, Shichao; Chiang, Edward; Dunning, Samuel G.; Reynolds, 3rd, Joseph E; Steiner, Alexander; Henkelman, Graeme; Que, Emily L.; Humphrey, Simon M.","Reversible Solid-State Isomerism of Azobenzene-Loaded Large-Pore Isoreticular Mg-CUK-1.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13793","","x-ray","1.54184","CuKα","","0.1041","0.0838","","","0.2177","0.2345","","","","","","1.096","","","","has coordinates,has disorder","249872","2020-10-21","18:00:00",""
"4134582","23.44","0.0004","18.8301","0.0003","10.91659","0.00018","90","","93.4812","0.0017","90","","4809.45","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mg-CUK-1L; As-Synthesized; Hydrated","","","- C26 H54 Mg3 N2 O29 -","- C26 H16 Mg3 N2 O29 -","- C104 H64 Mg12 N8 O116 -","4","0.5","","He, Junpeng; Aggarwal, Kanchan; Katyal, Naman; He, Shichao; Chiang, Edward; Dunning, Samuel G.; Reynolds, 3rd, Joseph E; Steiner, Alexander; Henkelman, Graeme; Que, Emily L.; Humphrey, Simon M.","Reversible Solid-State Isomerism of Azobenzene-Loaded Large-Pore Isoreticular Mg-CUK-1.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13793","","x-ray","1.54184","CuKα","","0.0698","0.0686","","","0.2045","0.2059","","","","","","1.048","","","","has coordinates","249873","2020-10-21","18:00:00",""
"4134583","24.22","0.005","17.812","0.004","10.975","0.002","90","","92.83","0.03","90","","4728.9","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mg-CUK-1L Dehydrated","","","- C26 H21 Mg3 N2 O12.5 -","- C26 H16 Mg3 N2 O12.5 -","- C104 H64 Mg12 N8 O50 -","4","0.5","","He, Junpeng; Aggarwal, Kanchan; Katyal, Naman; He, Shichao; Chiang, Edward; Dunning, Samuel G.; Reynolds, 3rd, Joseph E; Steiner, Alexander; Henkelman, Graeme; Que, Emily L.; Humphrey, Simon M.","Reversible Solid-State Isomerism of Azobenzene-Loaded Large-Pore Isoreticular Mg-CUK-1.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13793","","x-ray","1.54184","CuKα","","0.1196","0.0992","","","0.2669","0.2883","","","","","","1.078","","","","has coordinates","249874","2020-10-21","18:00:00",""
"4134584","10.937","0.003","14.947","0.003","15.041","0.004","71.41","0.018","86.86","0.02","88.896","0.016","2327","1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","Mg-CUK-1L incl. AzB","","","- C50 H36 Mg3 N6 O10 -","- C50 H36 Mg3 N6 O10 -","- C100 H72 Mg6 N12 O20 -","2","1","","He, Junpeng; Aggarwal, Kanchan; Katyal, Naman; He, Shichao; Chiang, Edward; Dunning, Samuel G.; Reynolds, 3rd, Joseph E; Steiner, Alexander; Henkelman, Graeme; Que, Emily L.; Humphrey, Simon M.","Reversible Solid-State Isomerism of Azobenzene-Loaded Large-Pore Isoreticular Mg-CUK-1.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13793","","x-ray","1.54184","CuKα","","0.1981","0.1337","","","0.3114","0.3805","","","","","","0.957","","","","has coordinates","249875","2020-10-21","18:00:00",""
"4134585","16.279","0.0003","17.6696","0.0003","19.8265","0.0003","90","","101.277","0.0005","90","","5592.86","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C80 H52 O4 -","- C80 H52 O4 -","- C320 H208 O16 -","4","1","","Moore, Jeffrey S.; Jiang, Xing; Laffoon, Summer D.; Chen, Dandan; Pérez-Estrada, Salvador; Danis, Andrew S.; Rodríguez-López, Joaquín; Garcia-Garibay, Miguel A; Zhu, Jun","Kinetic Control in the Synthesis of a Möbius Tris((ethynyl)[5]helicene) Macrocycle Using Alkyne Metathesis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01430","","","0.71073","MoKα","","0.0554","0.0487","","","0.1211","0.1269","","","","","","1.029","","","","has coordinates,has disorder","249876","2020-10-21","18:00:00",""
"4134586","11.47","0.002","13.122","0.004","22.181","0.004","90","","91.554","0.017","90","","3337.2","1.3","298.85","","298.85","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C70 H93 Cl O12 -","- C70 H93 Cl O12 -","- C140 H186 Cl2 O24 -","2","0.5","","Zhou, Yujuan; Jie, Kecheng; Zhao, Run; Li, Errui; Huang, Feihe","Highly Selective Removal of Trace Isomers by Nonporous Adaptive Pillararene Crystals for Chlorobutane Purification.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02684","","","1.54178","CuKα","","0.1397","0.0638","","","0.1336","0.1692","","","","","","1.004","","","","has coordinates,has disorder","249877","2020-10-21","18:00:00",""
"4134587","12.3608","0.001","14.645","0.0012","23.0103","0.0017","79.48","0.005","74.424","0.005","65.366","0.005","3635.4","0.5","102","2","102.36","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H93 Cl O12 -","- C70 H93 Cl O12 -","- C140 H186 Cl2 O24 -","2","1","","Zhou, Yujuan; Jie, Kecheng; Zhao, Run; Li, Errui; Huang, Feihe","Highly Selective Removal of Trace Isomers by Nonporous Adaptive Pillararene Crystals for Chlorobutane Purification.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02684","","","1.34139","GaKα","","0.2539","0.2134","","","0.4221","0.4429","","","","","","0.89","","","","has coordinates","249878","2020-10-21","18:00:00",""
"4134588","12.3859","0.0002","15.1577","0.0003","13.1632","0.0002","90","","103.212","0.0009","90","","2405.87","0.07","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H35 N3 O7 Os -","- C20 H35 N3 O7 Os -","- C80 H140 N12 O28 Os4 -","4","2","","Smith, Kendrick L.; Padgett, Cody L.; Mackay, William D.; Johnson, Jeffrey S.","Catalytic, Asymmetric Dearomative Synthesis of Complex Cyclohexanes via a Highly Regio- and Stereoselective Arene Cyclopropanation Using α-Cyanodiazoacetates","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13080","","","1.54178","CuKα","","0.0329","0.0313","","0.0686","0.0678","0.0686","","","","","","1.026","","","","has coordinates","249879","2020-10-21","18:00:00",""
"4134589","6.2622","0.0001","10.0039","0.0001","31.7656","0.0005","90","","90","","90","","1990","0.05","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N4 O4 -","- C22 H22 N4 O4 -","- C88 H88 N16 O16 -","4","1","","Smith, Kendrick L.; Padgett, Cody L.; Mackay, William D.; Johnson, Jeffrey S.","Catalytic, Asymmetric Dearomative Synthesis of Complex Cyclohexanes via a Highly Regio- and Stereoselective Arene Cyclopropanation Using α-Cyanodiazoacetates","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13080","","","1.54178","CuKα","","0.0289","0.0286","","","0.0981","0.0988","","","","","","0.96","","","","has coordinates","249880","2020-10-21","18:00:00",""
"4134590","7.8458","0.0001","19.9207","0.0002","24.0461","0.0001","85.631","0.001","83.572","0.001","87.686","0.001","3721.85","0.06","169.99","0.1","169.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C98 H78 N2 O4 -","- C98 H78 N2 O4 -","- C196 H156 N4 O8 -","2","1","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","","1.54184","CuKα","","0.117","0.1106","","","0.3784","0.3952","","","","","","1.89","","","","has coordinates","249919","2020-10-21","18:00:00",""
"4134591","15.2028","0.0003","14.7948","0.0002","20.705","0.0007","90","","104.281","0.003","90","","4513.1","0.2","169.99","0.12","169.99","0.12","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C102 H82 Cl12 N2 O4 -","- C102 H82 Cl12 N2 O4 -","- C204 H164 Cl24 N4 O8 -","2","1","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","x-ray","1.54184","CuKα","","0.2094","0.1532","","","0.361","0.3859","","","","","","2.102","","","","has coordinates","249920","2020-10-21","18:00:00",""
"4134592","15.1377","0.0002","19.4899","0.0003","22.4137","0.0002","106.704","0.001","98.601","0.001","105.017","0.001","5935.33","0.15","169.99","0.1","169.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C72 H66 N2 O4 -","- C72 H66 N2 O4 -","- C288 H264 N8 O16 -","4","2","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","","1.54184","CuKα","","0.1216","0.111","","","0.362","0.3817","","","","","","1.717","","","","has coordinates","249921","2020-10-21","18:00:00",""
"4134593","7.7158","0.0001","15.2504","0.0003","16.7377","0.0003","69.44","0.002","82.721","0.002","80.783","0.001","1814.96","0.06","169.98","0.1","169.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C99 H79 Cl3 N2 O4 -","- C99 H79 Cl3 N2 O4 -","- C99 H79 Cl3 N2 O4 -","1","0.5","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","x-ray","1.54184","CuKα","","0.0777","0.0738","","","0.2179","0.2227","","","","","","1.05","","","","has coordinates,has disorder","249922","2020-10-21","18:00:00",""
"4134594","16.3803","0.0003","29.3997","0.0006","34.6846","0.0005","70.914","0.002","88.745","0.001","88.207","0.001","15776.1","0.5","169.99","0.13","169.99","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C392 H312 N8 O16 -","- C392 H312 N8 O16 -","- C784 H624 N16 O32 -","2","1","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","x-ray","1.54184","CuKα","","0.2294","0.1979","","","0.4492","0.478","","","","","","1.782","","","","has coordinates,has disorder","249923","2020-10-21","18:00:00",""
"4134595","15.2129","0.0004","14.7868","0.0004","20.7684","0.0007","90","","103.878","0.003","90","","4535.5","0.2","169.99","0.11","169.99","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C102 H82 Cl12 N2 O4 -","- C102 H82 Cl12 N2 O4 -","- C204 H164 Cl24 N4 O8 -","2","1","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","x-ray","1.54184","CuKα","","0.1559","0.1375","","","0.3298","0.3437","","","","","","2.337","","","","has coordinates","249924","2020-10-21","18:00:00",""
"4134596","13.86","0.0003","17.3797","0.0005","35.4965","0.0005","83.053","0.002","83.981","0.002","77.853","0.002","8269.9","0.3","169.99","0.13","169.99","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C98 H78 N2 O4 -","- C98 H78 N2 O4 -","- C392 H312 N8 O16 -","4","2","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","","1.54178","CuKα","","0.2147","0.1651","","","0.4012","0.4326","","","","","","1.291","","","","has coordinates,has disorder","249925","2020-10-21","18:00:00",""
"4134597","34.7822","0.0006","34.7822","0.0006","34.7822","0.0006","90","","90","","90","","42079.6","1.3","100","2","100","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","EuHHTP","","Eu6HOTP2 Metal-Organic Framework","- C36 H12 Eu6 N6.23 O38.28 -","- C36 H12 Eu6 N6.232 O38.287 -","- C576 H192 Eu96 N99.712 O612.592 -","16","0.0833333","","Skorupskii, Grigorii; Dinca, Mircea","Electrical conductivity in a porous, cubic rare-earth catecholate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01713","","","0.71073","MoKα","","0.0595","0.0466","","","0.113","0.1235","","","","","","1.136","","","","has coordinates,has disorder","249926","2020-10-21","18:00:00",""
"4134598","35.2393","0.0017","35.2393","0.0017","35.2393","0.0017","90","","90","","90","","43760","4","100","2","100","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","La6HOTP2 metal-organic framework","","","- C36 H12 La6 N3.9 O41.64 -","- C36 H12 La6 N3.898 O41.64 -","- C576 H192 La96 N62.368 O666.24 -","16","0.0833333","","Skorupskii, Grigorii; Dinca, Mircea","Electrical conductivity in a porous, cubic rare-earth catecholate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01713","","","0.71073","MoKα","","0.0686","0.0509","","","0.1391","0.1579","","","","","","1.184","","","","has coordinates,has disorder","249927","2020-10-21","18:00:00",""
"4134599","34.785","0.003","34.785","0.003","34.785","0.003","90","","90","","90","","42090","6","100","2","100","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","Y6HOTP2 metal-organic framework","","","- C18 H6 N2.69 O18.69 Y3 -","- C18 H6 N2.687 O18.687 Y3 -","- C576 H192 N85.984 O597.984 Y96 -","32","0.166667","","Skorupskii, Grigorii; Dinca, Mircea","Electrical conductivity in a porous, cubic rare-earth catecholate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01713","","","0.71073","MoKα","","0.0565","0.045","","","0.1178","0.1223","","","","","","1.082","","","","has coordinates,has disorder","249928","2020-10-21","18:00:00",""
"4134600","17.8071","0.0013","20.7861","0.0017","11.1015","0.0008","90","","90","","90","","4109.1","0.5","123","2","123","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C42.5 H32 Cl5 F3 N2 O Pd -","- C42.5 H32 Cl5 F3 N2 O Pd -","- C170 H128 Cl20 F12 N8 O4 Pd4 -","4","1","","Tran, Quan H.; Brookhart, Maurice; Daugulis, Olafs","New Neutral Nickel and Palladium Sandwich Catalysts: Synthesis of Ultra-High Molecular Weight Polyethylene (UHMWPE) via Highly Controlled Polymerization and Mechanistic Studies of Chain Propagation.","Journal of the American Chemical Society","2020","142","15","7198","7206","10.1021/jacs.0c02045","","","0.71073","MoKα","","0.0326","0.0287","","","0.0642","0.0663","","","","","","1.022","","","","has coordinates","251468","2020-10-21","18:00:00",""
"4134601","11.4494","0.0005","18.261","0.0009","19.2278","0.0009","91.268","0.002","95.438","0.002","95.772","0.002","3979.7","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H27 Cl4 F3 N2 O Pd -","- C44 H27 Cl4 F3 N2 O Pd -","- C176 H108 Cl16 F12 N8 O4 Pd4 -","4","2","","Tran, Quan H.; Brookhart, Maurice; Daugulis, Olafs","New Neutral Nickel and Palladium Sandwich Catalysts: Synthesis of Ultra-High Molecular Weight Polyethylene (UHMWPE) via Highly Controlled Polymerization and Mechanistic Studies of Chain Propagation.","Journal of the American Chemical Society","2020","142","15","7198","7206","10.1021/jacs.0c02045","","","1.54178","CuKα","","0.0317","0.0295","","","0.0787","0.0805","","","","","","1.025","","","","has coordinates","251468","2020-10-21","18:00:00",""
"4134602","11.3097","0.001","16.5092","0.0015","21.156","0.002","90","","91.13","0.001","90","","3949.4","0.6","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H26 Cl4 F6 N2 Ni O -","- C45 H26 Cl4 F6 N2 Ni O -","- C180 H104 Cl16 F24 N8 Ni4 O4 -","4","1","","Tran, Quan H.; Brookhart, Maurice; Daugulis, Olafs","New Neutral Nickel and Palladium Sandwich Catalysts: Synthesis of Ultra-High Molecular Weight Polyethylene (UHMWPE) via Highly Controlled Polymerization and Mechanistic Studies of Chain Propagation.","Journal of the American Chemical Society","2020","142","15","7198","7206","10.1021/jacs.0c02045","","","0.71073","MoKα","","0.0378","0.0309","","","0.0753","0.0787","","","","","","1.045","","","","has coordinates,has disorder","251468","2020-10-21","18:00:00",""
"4134603","27.604","0.004","27.604","0.004","27.604","0.004","90","","90","","90","","21034","5","100","","100","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C119.85 H139.65 Fe8 N31.95 O61.95 -","- C119.85 H139.65 Fe8 N31.95 O61.95 -","- C479.4 H558.6 Fe32 N127.8 O247.8 -","4","0.333333","","Chiong, Jerika A.; Zhu, Jie; Bailey, Jake B.; Kalaj, Mark; Subramanian, Rohit; Xu, Wenqian; Cohen, Seth M.; Tezcan, F. Akif","An Exceptionally Stable Metal-Organic Framework Constructed from Chelate-based Metal-Organic Polyhedra.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01626","","","0.71073","MoKα","","0.071","0.057","","","0.1368","0.1455","","","","","","1.053","","","","has coordinates","249933","2020-10-21","18:00:00",""
"4134604","13.4811","0.0003","19.2956","0.0004","26.5465","0.0005","90","","90","","90","","6905.4","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H71.5 Cl7.5 N6 O9 -","- C68 H71.5 Cl7.5 N6 O9 -","- C272 H286 Cl30 N24 O36 -","4","1","","Yousefi, Roozbeh; Sarkar, Aritra; Ashtekar, Kumar; Whitehead, Daniel C.; Kakeshpour, Tayeb; Holmes, Daniel; Reed, Paul; Jackson, James E.; Borhan, Babak","Mechanistic Insights into the Origin of Stereoselectivity in an Asymmetric Chlorolactonization Catalyzed by (DHQD)<sub>2</sub>PHAL.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01830","","","1.54178","CuKα","","0.109","0.0713","","","0.1911","0.2225","","","","","","1.029","","","","has coordinates,has disorder","249974","2020-10-21","18:00:00",""
"4134605","10.082","0.005","10.59","0.005","13.103","0.007","84.987","0.015","86.295","0.015","62.063","0.01","1230.8","1.1","295","2","294.66","","","","","","","","","6","P -1","-P 1","2","","SIFSIX-23-Cu-beta2","","- C24 H20 Cu F6 N8 Si -","- C24 H20 Cu F6 N8 Si -","- C48 H40 Cu2 F12 N16 Si2 -","2","1","","Song, Bai-Qiao; Yang, Qing-Yuan; Wang, Shi-Qiang; Vandichel, Matthias; Kumar, Amrit; Crowley, Clare M.; Kumar, Naveen; Deng, Cheng-Hua; Gascon Perez, Victoria; Lusi, Matteo; Wu, Hui; Zhou, Wei; Zaworotko, Michael J.","Reversible switching between nonporous and porous phases of a new SIFSIX coordination network induced by a flexible linker ligand.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01314","","","0.71073","MoKα","","0.1783","0.1047","","","0.2723","0.3278","","","","","","1.042","","","","has coordinates","250007","2020-10-21","18:00:00",""
"4134606","10.4165","0.0008","11.6479","0.0008","12.239","0.0012","64.535","0.004","71.549","0.005","74.498","0.003","1256.77","0.19","150","2","150","","","","","","","","","7","P -1","-P 1","2","","SIFSIX-23-Cu-beta1","","- C24 H22 Cu F6 N8 O Si -","- C24 H22 Cu F6 N8 O Si -","- C48 H44 Cu2 F12 N16 O2 Si2 -","2","1","","Song, Bai-Qiao; Yang, Qing-Yuan; Wang, Shi-Qiang; Vandichel, Matthias; Kumar, Amrit; Crowley, Clare M.; Kumar, Naveen; Deng, Cheng-Hua; Gascon Perez, Victoria; Lusi, Matteo; Wu, Hui; Zhou, Wei; Zaworotko, Michael J.","Reversible switching between nonporous and porous phases of a new SIFSIX coordination network induced by a flexible linker ligand.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01314","","","1.54178","CuKα","","0.1821","0.1333","","","0.3287","0.36","","","","","","1.08","","","","has coordinates","250008","2020-10-21","18:00:00",""
"4134607","40.116","0.003","20.2528","0.0012","23.0493","0.0015","90","","100.858","0.006","90","","18391","2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C198 H208 N8 O16 -","- C198 H208 N8 O16 -","- C792 H832 N32 O64 -","4","1","","Schuster, Nathaniel J.; Joyce, Leo A.; Paley, Daniel W.; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin","The Structural Origins of Intense Circular Dichroism in a Waggling Helicene Nanoribbon.","Journal of the American Chemical Society","2020","142","15","7066","7074","10.1021/jacs.0c00646","","x-ray","1.54184","CuKα","","0.3035","0.1806","","","0.4585","0.5347","","","","","","1.327","","","","has coordinates","251467","2020-10-21","18:00:00",""
"4134608","7.9199","0.0002","11.2795","0.0003","14.9844","0.0004","91.4157","0.0017","90.3788","0.0019","90.853","0.002","1338","0.06","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C16 H17 F3 -","- C15.9993 H17 F2.99775 -","- C63.997 H68 F11.991 -","4","4","","Kutateladze, Dennis A.; Strassfeld, Daniel A.; Jacobsen, Eric N.","Enantioselective Tail-to-Head Cyclizations Catalyzed by Dual-Hydrogen-Bond Donors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02665","","","1.54178","CuKα","","0.0602","0.0511","","","0.1281","0.1356","","","","","","1.03","","","","has coordinates,has disorder","250010","2020-10-21","18:00:00",""
"4134609","28.8499","0.0008","30.8381","0.0009","41.3583","0.0012","90","","92.334","0.002","90","","36765","1.8","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","PFC-11","","- C24 H15 N3 O6 -","- C24 H15 N3 O6 -","- C1248 H780 N156 O312 -","52","13","","Li, Yu-Lin; Alexandrov, Eugeny V.; Yin, Qi; Li, Lan; Fang, Zhi-Bin; Yuan, Wenbing; Proserpio, Davide M.; Liu, Tian-Fu","Record Complexity in the Polycatenation of Three Porous Hydrogen-bonded Organic Frameworks with Stepwise Adsorption Behaviors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02406","","x-ray","1.54178","CuKα","","0.1453","0.0941","","","0.2752","0.3182","","","","","","1.022","","","","has coordinates","250011","2020-10-21","18:00:00",""
"4134610","30.91","","27.384","","20.633","","90","","90","","90","","17464.6","","273","2","272.99","","","","","","","","","4","C m c e","-C 2ac 2","64","","PFC-12","","- C24 H15 N3 O6 -","- C24 H15 N3 O6 -","- C576 H360 N72 O144 -","24","1.5","","Li, Yu-Lin; Alexandrov, Eugeny V.; Yin, Qi; Li, Lan; Fang, Zhi-Bin; Yuan, Wenbing; Proserpio, Davide M.; Liu, Tian-Fu","Record Complexity in the Polycatenation of Three Porous Hydrogen-bonded Organic Frameworks with Stepwise Adsorption Behaviors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02406","","x-ray","1.54178","CuKα","","0.1778","0.0789","","","0.2219","0.3022","","","","","","0.923","","","","has coordinates","250012","2020-10-21","18:00:00",""
"4134611","26.4904","0.001","41.3829","0.0015","30.8788","0.0012","90","","90","","90","","33851","2","100","2","100.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","PFC-13","","- C24 H15 N3 O6 -","- C24 H15 N3 O6 -","- C1152 H720 N144 O288 -","48","6","","Li, Yu-Lin; Alexandrov, Eugeny V.; Yin, Qi; Li, Lan; Fang, Zhi-Bin; Yuan, Wenbing; Proserpio, Davide M.; Liu, Tian-Fu","Record Complexity in the Polycatenation of Three Porous Hydrogen-bonded Organic Frameworks with Stepwise Adsorption Behaviors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02406","","x-ray","0.71073","MoKα","","0.1345","0.0783","","","0.2187","0.2622","","","","","","1.032","","","","has coordinates","250013","2020-10-21","18:00:00",""
"4134612","21.493","0.006","29.212","0.008","36.334","0.011","90","","90","","90","","22812","11","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C178 H179 F72 N24 O0.5 S6 Se6 -","- C178 H179 F72 N24 O0.5 S6 Se6 -","- C712 H716 F288 N96 O2 S24 Se24 -","4","1","","Lin, Yingfu; Hirschi, William J.; Kunadia, Anuj; Paul, Anirudra; Ghiviriga, Ion; Abboud, Khalil A.; Karugu, Rachael W.; Vetticatt, Mathew J.; Hirschi, Jennifer S.; Seidel, Daniel","A Selenourea-Thiourea Brønsted Acid Catalyst Facilitates Asymmetric Conjugate Additions of Amines to α,β-Unsaturated Esters.","Journal of the American Chemical Society","2020","142","12","5627","5635","10.1021/jacs.9b12457","","","0.71073","MoKα","","0.1539","0.0719","","","0.1654","0.1846","","","","","","1.003","","","","has coordinates,has disorder","250027","2020-10-21","18:00:00",""
"4134613","9.7669","0.0011","7.0025","0.0005","10.1992","0.0012","90","","112.658","0.014","90","","643.71","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H16 N4 Ni O7 -","- C8 H16 N4 Ni O7 -","- C16 H32 N8 Ni2 O14 -","2","1","","Deng, Bin-Bin; Xu, Chu-Chu; Cheng, Ting-Ting; Yang, Yi-Ting; Hu, Yan-Ting; Wang, Pan; He, Wen-Hui; Yang, Meng-Juan; Liao, Wei-Qiang","Homochiral Nickel Nitrite ABX<sub>3</sub> (X = NO<sub>2</sub><sup>-</sup>) Perovskite Ferroelectrics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02580","","","0.71073","MoKα","","0.0795","0.0541","","","0.1007","0.1131","","","","","","1.001","","","","has coordinates","250404","2020-10-21","18:00:00",""
"4134614","9.9112","0.0002","6.8771","0.0001","10.4391","0.0002","90","","113.921","0.002","90","","650.42","0.02","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H15 F N4 Ni O7 -","- C8 H15 F N4 Ni O7 -","- C16 H30 F2 N8 Ni2 O14 -","2","1","","Deng, Bin-Bin; Xu, Chu-Chu; Cheng, Ting-Ting; Yang, Yi-Ting; Hu, Yan-Ting; Wang, Pan; He, Wen-Hui; Yang, Meng-Juan; Liao, Wei-Qiang","Homochiral Nickel Nitrite ABX<sub>3</sub> (X = NO<sub>2</sub><sup>-</sup>) Perovskite Ferroelectrics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02580","","","1.54178","CuKα","","0.0342","0.0301","","","0.0669","0.074","","","","","","1.001","","","","has coordinates","250405","2020-10-21","18:00:00",""
"4134615","9.7772","0.0002","7.006","0.0001","10.2094","0.0002","90","","112.707","0.002","90","","645.13","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H16 N4 Ni O7 -","- C8 H16 N4 Ni O7 -","- C16 H32 N8 Ni2 O14 -","2","1","","Deng, Bin-Bin; Xu, Chu-Chu; Cheng, Ting-Ting; Yang, Yi-Ting; Hu, Yan-Ting; Wang, Pan; He, Wen-Hui; Yang, Meng-Juan; Liao, Wei-Qiang","Homochiral Nickel Nitrite ABX<sub>3</sub> (X = NO<sub>2</sub><sup>-</sup>) Perovskite Ferroelectrics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02580","","","1.54178","CuKα","","0.027","0.0245","","","0.061","0.0656","","","","","","1.005","","","","has coordinates","250406","2020-10-21","18:00:00",""
"4134616","9.9291","0.0003","6.87","0.0002","10.457","0.0003","90","","114.028","0.004","90","","651.49","0.04","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H15 F N4 Ni O7 -","- C8 H15 F N4 Ni O7 -","- C16 H30 F2 N8 Ni2 O14 -","2","1","","Deng, Bin-Bin; Xu, Chu-Chu; Cheng, Ting-Ting; Yang, Yi-Ting; Hu, Yan-Ting; Wang, Pan; He, Wen-Hui; Yang, Meng-Juan; Liao, Wei-Qiang","Homochiral Nickel Nitrite ABX<sub>3</sub> (X = NO<sub>2</sub><sup>-</sup>) Perovskite Ferroelectrics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02580","","","1.54178","CuKα","","0.0505","0.0437","","","0.1042","0.1243","","","","","","1.006","","","","has coordinates","250407","2020-10-21","18:00:00",""
"4134617","7.338","0.0004","7.4214","0.0004","8.9759","0.0004","92.332","0.003","102.352","0.004","118.864","0.003","412.21","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H4 N8 O4 -","- C3 H4 N8 O4 -","- C6 H8 N16 O8 -","2","1","","Tang, Yongxing; Huang, Wei; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Planar FOX-7-like Molecules: A Strategy for Thermally Stable and Insensitive π-Conjugated Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01640","","","1.54178","CuKα","","0.0457","0.0394","","","0.1099","0.1137","","","","","","1.087","","","","has coordinates","250408","2020-10-21","18:00:00",""
"4134618","4.9771","0.0004","13.1099","0.0009","16.9277","0.0011","101.61","0.004","91.179","0.005","90.05","0.005","1081.68","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H6.33 N7 O2.67 -","- C3 H5 N7 O2 -","- C18 H30 N42 O12 -","6","3","","Tang, Yongxing; Huang, Wei; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Planar FOX-7-like Molecules: A Strategy for Thermally Stable and Insensitive π-Conjugated Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01640","","","1.54178","CuKα","","0.0922","0.0651","","","0.1872","0.2085","","","","","","1.091","","","","has coordinates","250409","2020-10-21","18:00:00",""
"4134619","11.3834","0.0003","7.3039","0.0002","15.8799","0.0004","90","","90","","90","","1320.31","0.06","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H6 N6 O2 -","- C4 H6 N6 O2 -","- C32 H48 N48 O16 -","8","1","","Tang, Yongxing; Huang, Wei; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Planar FOX-7-like Molecules: A Strategy for Thermally Stable and Insensitive π-Conjugated Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01640","","","1.54178","CuKα","","0.0458","0.044","","","0.1157","0.1175","","","","","","1.093","","","","has coordinates","250410","2020-10-21","18:00:00",""
"4134620","4.9044","0.0019","26.767","0.01","7.71","0.003","90","","96.835","0.012","90","","1004.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N8 O5 -","- C4 H8 N8 O5 -","- C16 H32 N32 O20 -","4","1","","Tang, Yongxing; Huang, Wei; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Planar FOX-7-like Molecules: A Strategy for Thermally Stable and Insensitive π-Conjugated Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01640","","","0.71073","MoKα","","0.1947","0.1169","","","0.2437","0.2689","","","","","","1.105","","","","has coordinates","250411","2020-10-21","18:00:00",""
"4134621","8.0844","0.0009","9.054","0.0011","10.5384","0.0012","90","","96.114","0.003","90","","766.98","0.15","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C5 H7 N7 O2 -","- C5 H7 N7 O2 -","- C20 H28 N28 O8 -","4","1","","Tang, Yongxing; Huang, Wei; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Planar FOX-7-like Molecules: A Strategy for Thermally Stable and Insensitive π-Conjugated Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01640","","","0.71073","MoKα","","0.1335","0.0554","","","0.114","0.1382","","","","","","1.015","","","","has coordinates","250412","2020-10-21","18:00:00",""
"4134622","8.4672","0.0004","11.1265","0.0006","7.9409","0.0004","90","","90","","90","","748.11","0.07","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H8 N8 O2 -","- C3 H8 N8 O2 -","- C12 H32 N32 O8 -","4","1","","Tang, Yongxing; Huang, Wei; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Planar FOX-7-like Molecules: A Strategy for Thermally Stable and Insensitive π-Conjugated Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01640","","","0.71073","MoKα","","0.0402","0.0333","","","0.0831","0.087","","","","","","1.062","","","","has coordinates","250413","2020-10-21","18:00:00",""
"4134623","8.058","0.0004","8.2082","0.0004","19.263","0.001","81.733","0.0011","89.6948","0.001","80.2803","0.001","1242.51","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","TJS-A-01","","","- C28 H28 N2 O5 S -","- C28 H28 N2 O5 S -","- C56 H56 N4 O10 S2 -","2","1","","Steiman, Talia J.; Liu, Junyi; Mengiste, Amanuella; Doyle, Abigail G.","Synthesis of β-Phenethylamines via Ni/Photoredox Cross-Electrophile Coupling of Aliphatic Aziridines and Aryl Iodides.","Journal of the American Chemical Society","2020","142","16","7598","7605","10.1021/jacs.0c01724","","","0.71073","MoKα","","0.0561","0.0448","","","0.1176","0.1246","","","","","","1.06","","","","has coordinates,has disorder","251460","2020-10-21","18:00:00",""
"4134624","5.1739","0.0002","5.1739","0.0002","13.9856","0.0001","90","","90","","120","","324.226","0.018","298","","298","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","Zn2FeNbO6","- Fe Nb O6 Zn2 -","- Fe0.5 Nb0.5 O3 Zn -","- Fe3 Nb3 O18 Zn6 -","6","0.333333","","Han, Yifeng; Zeng, Yijie; Hendrickx, Mylène; Hadermann, Joke; Stephens, Peter W.; Zhu, Chuanhui; Grams, Christoph Paul; Hemberger, Joachim; Frank, Corey E.; Li, Shufang; Wu, MeiXia; Retuerto, Maria; Croft, Mark; Walker, David; Yao, Dao-Xin; Greenblatt, Martha; Li, Man-Rong","Universal A-cation splitting in LiNbO3-type structure driven by intrapositional multivalent coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01814","","","0.70018","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","250448","2020-10-21","18:00:00",""
"4134625","5.17022","0.00001","5.17022","0.00001","13.93338","0.00006","90","","90","","120","","322.556","0.0016","298","","298","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","Zn2FeTaO6","- Fe O6 Ta Zn2 -","- Fe0.5 O3 Ta0.5 Zn -","- Fe3 O18 Ta3 Zn6 -","6","0.333333","","Han, Yifeng; Zeng, Yijie; Hendrickx, Mylène; Hadermann, Joke; Stephens, Peter W.; Zhu, Chuanhui; Grams, Christoph Paul; Hemberger, Joachim; Frank, Corey E.; Li, Shufang; Wu, MeiXia; Retuerto, Maria; Croft, Mark; Walker, David; Yao, Dao-Xin; Greenblatt, Martha; Li, Man-Rong","Universal A-cation splitting in LiNbO3-type structure driven by intrapositional multivalent coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01814","","","0.70018","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","250449","2020-10-21","18:00:00",""
"4134626","9.9559","0.0005","12.4988","0.0006","17.2264","0.0008","90","","104.392","0.001","90","","2076.33","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 B10 O2 -","- C17 H26 B10 O2 -","- C68 H104 B40 O8 -","4","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.0569","0.0481","","","0.1295","0.1378","","","","","","1.031","","","","has coordinates","250450","2020-10-21","18:00:00",""
"4134627","19.9522","0.001","13.7412","0.0006","18.6004","0.0008","90","","90","","90","","5099.6","0.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H29 B10 N2 O2 -","- C22 H29 B10 N2 O2 -","- C176 H232 B80 N16 O16 -","8","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.1233","0.0967","","","0.2609","0.2882","","","","","","1.071","","","","has coordinates,has disorder","250451","2020-10-21","18:00:00",""
"4134628","11.1222","0.0011","16.2539","0.0019","19.748","0.003","90","","96.326","0.004","90","","3548.3","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 B10 O -","- C12 H24 B10 O -","- C96 H192 B80 O8 -","8","2","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.0703","0.0557","","","0.1518","0.1715","","","","","","1.048","","","","has coordinates","250452","2020-10-21","18:00:00",""
"4134629","8.91","0.003","13.323","0.004","16.77","0.006","70.5","0.014","74.6","0.01","86.737","0.01","1808.1","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H42 B10 N2 O8 -","- C31 H42 B10 N2 O8 -","- C62 H84 B20 N4 O16 -","2","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.0924","0.0781","","","0.2265","0.2402","","","","","","1.106","","","","has coordinates","250453","2020-10-21","18:00:00",""
"4134630","8.7666","0.0013","11.1964","0.0018","17.168","0.003","100.936","0.005","99.267","0.005","94.811","0.005","1621.5","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H36 B10 N2 O3 S2 -","- C29 H36 B10 N2 O3 S2 -","- C58 H72 B20 N4 O6 S4 -","2","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.0666","0.0571","","","0.1555","0.1657","","","","","","1.071","","","","has coordinates","250454","2020-10-21","18:00:00",""
"4134631","6.9003","0.0004","11.8511","0.0007","14.2073","0.0008","78.8301","0.0019","81.9861","0.0017","85.1877","0.0017","1126.74","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H28 B10 N2 O2 -","- C17 H28 B10 N2 O2 -","- C34 H56 B20 N4 O4 -","2","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.1238","0.0952","","","0.1869","0.2004","","","","","","1.165","","","","has coordinates","250455","2020-10-21","18:00:00",""
"4134632","13.4462","0.0005","16.1808","0.0006","18.8504","0.0006","88.657","0.001","71.508","0.001","77.42","0.001","3791.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H48 B10 N2 O3 -","- C35 H48 B10 N2 O3 -","- C140 H192 B40 N8 O12 -","4","2","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.1091","0.0824","","","0.2282","0.2543","","","","","","1.028","","","","has coordinates,has disorder","250456","2020-10-21","18:00:00",""
"4134633","9.8763","0.0004","15.3708","0.0007","18.6884","0.0008","90","","91.3929","0.0013","90","","2836.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 B10 N2 O3 -","- C20 H40 B10 N2 O3 -","- C80 H160 B40 N8 O12 -","4","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.0755","0.0561","","","0.1539","0.1747","","","","","","1.057","","","","has coordinates,has disorder","250457","2020-10-21","18:00:00",""
"4134634","17.8979","0.0006","14.7783","0.0005","16.9268","0.0005","90","","110.964","0.001","90","","4180.8","0.2","170","2","170","","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C78 H68 Cl2 F4 N8 O2 Pt2 S2 -","- C78 H68 Cl2 F4 N8 O2 Pt2 S2 -","- C156 H136 Cl4 F8 N16 O4 Pt4 S4 -","2","0.5","","Wu, Xiugang; Chen, Deng-Gao; Liu, Denghui; Liu, Shih-Hung; Shen, Shin-Wei; Wu, Chih-I; Xie, Guohua; Zhou, Jianwei; Huang, Zhi-Xuan; Huang, Chun-Ying; Su, Shi-Jian; Zhu, Weiguo; Chou, Pi-Tai","Highly Emissive Dinuclear Platinum(III) Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13956","","","1.34139","GaKα","","0.0427","0.0411","","","0.1073","0.1084","","","","","","1.107","","","","has coordinates","250458","2020-10-21","18:00:00",""
"4134635","13.3029","0.0003","14.1443","0.0003","15.9246","0.0004","112.076","0.002","111.146","0.002","92.244","0.002","2536.25","0.12","140","0.1","140","0.1","","","","","","","","6","P 1","P 1","1","","","","- C115 H97 Fe3 N17 Na6 O6 -","- C115 H97 Fe3 N17 Na6 O6 -","- C115 H97 Fe3 N17 Na6 O6 -","1","1","","Toniolo, Davide; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Assembly of High-Spin [Fe<sub>3</sub>] Clusters by Ligand-Based Multielectron Reduction.","Journal of the American Chemical Society","2020","142","16","7301","7305","10.1021/jacs.0c01664","","x-ray","0.71073","MoKα","","0.0894","0.0589","","","0.1098","0.1257","","","","","","1.028","","","","has coordinates,has disorder","251454","2020-10-21","18:00:00",""
"4134636","13.4845","0.0003","33.0195","0.0012","22.9829","0.0007","90","","105.404","0.003","90","","9865.6","0.5","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C176 H196 Fe6 N12 Na12 O26 -","- C176 H196 Fe6 N12 Na12 O26 -","- C352 H392 Fe12 N24 Na24 O52 -","2","0.5","","Toniolo, Davide; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Assembly of High-Spin [Fe<sub>3</sub>] Clusters by Ligand-Based Multielectron Reduction.","Journal of the American Chemical Society","2020","142","16","7301","7305","10.1021/jacs.0c01664","","x-ray","1.54184","CuKα","","0.1049","0.0958","","","0.257","0.264","","","","","","1.073","","","","has coordinates,has disorder","251454","2020-10-21","18:00:00",""
"4134637","38.585","0.01","38.585","0.01","38.585","0.01","90","","90","","90","","57445","3","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN-224","Hf-TBB","","- C72.29 H39.16 Hf6.02 N6.02 O32.13 -","- C72 H45 Hf6 N6 O32 -","- C576 H360 Hf48 N48 O256 -","8","0.0833333","","Luo, Taokun; Ni, Kaiyuan; Culbert, August; Lan, Guangxu; Li, Zhe; Jiang, Xiaomin; Kaufmann, Michael; Lin, Wenbin","Nanoscale Metal-Organic Frameworks Stabilize Bacteriochlorins for Type I and Type II Photodynamic Therapy.","Journal of the American Chemical Society","2020","142","16","7334","7339","10.1021/jacs.0c02129","","x-ray","0.41328","synchrotron","","0.1085","0.1041","","","0.2388","0.2417","","","","","","1.003","","","","has coordinates","251463","2020-10-21","18:00:00",""
"4134638","13.491","0.005","13.711","0.005","14.567","0.005","75.315","0.005","84.23","0.005","67.787","0.005","2413","1.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H130 N10 Ni2 O56 -","- C70 H50 N10 Ni2 O28 -","- C70 H50 N10 Ni2 O28 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71069","MoKα","","0.2131","0.14","","","0.3023","0.3356","","","","","","1.003","","","","has coordinates","250546","2020-10-21","18:00:00",""
"4134639","10.617","0.002","12.641","0.003","13.803","0.003","106.8","0.03","104.68","0.03","93.65","0.03","1696.7","0.8","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H76 Co N12 O22 -","- C68 H60 Co N12 O22 -","- C68 H60 Co N12 O22 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.1162","0.0758","","","0.1691","0.2264","","","","","","1.024","","","","has coordinates","250547","2020-10-21","18:00:00",""
"4134640","8.767","0.0018","17.488","0.003","20.607","0.004","97.49","0.03","96.84","0.03","93.45","0.03","3100.9","1.1","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H55 Cl8 N11 O16 -","- C57 H55 Cl8 N11 O16 -","- C114 H110 Cl16 N22 O32 -","2","1","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.1233","0.0991","","","0.1996","0.2145","","","","","","1.004","","","","has coordinates","250548","2020-10-21","18:00:00",""
"4134641","11.0295","0.0003","17.5019","0.0007","15.1089","0.0004","90","","92.126","0.002","90","","2914.57","0.16","100","0.11","100","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 Cl2 N5 O10 -","- C27 H29 Cl2 N5 O10 -","- C108 H116 Cl8 N20 O40 -","4","1","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.0873","0.071","","","0.1667","0.1794","","","","","","1.027","","","","has coordinates","250549","2020-10-21","18:00:00",""
"4134642","13.8006","0.0002","16.4423","0.0003","12.8876","0.0002","90","","93.84","0.002","90","","2917.81","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H70 N10 O26 -","- C54 H70 N10 O26 -","- C108 H140 N20 O52 -","2","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.0625","0.0589","","","0.1415","0.144","","","","","","1.009","","","","has coordinates","250550","2020-10-21","18:00:00",""
"4134643","14.0185","0.0005","7.0639","0.0002","28.6965","0.0008","90","","95.382","0.003","90","","2829.15","0.15","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H66 N10 O24 -","- C54 H66 N10 O24 -","- C108 H132 N20 O48 -","2","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.1317","0.1287","","","0.2596","0.2612","","","","","","1.011","","","","has coordinates","250551","2020-10-21","18:00:00",""
"4134644","13.493","0.003","13.659","0.003","13.762","0.003","81.1","0.03","77.9","0.03","89.71","0.03","2449.2","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene)_ 5 2,5-dihydroxyterephthalate dianion_ 2 samarium(III)_4 DMF_10 H2O","","- C90 H102 N14 O44 Sm2 -","- C90 H82 N14 O44 Sm2 -","- C90 H82 N14 O44 Sm2 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.1121","0.082","","","0.165","0.1871","","","","","","1.008","","","","has coordinates","250552","2020-10-21","18:00:00",""
"4134645","11.434","0.005","13.195","0.005","14.751","0.005","97.223","0.005","111.87","0.005","109.823","0.005","1860.2","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H82 N12 Ni O31 -","- C62 H46 N10 Ni O28 -","- C62 H46 N10 Ni O28 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71069","MoKα","","0.1682","0.1116","","","0.2205","0.2574","","","","","","1.008","","","","has coordinates","250553","2020-10-21","18:00:00",""
"4134646","13.288","0.003","13.453","0.003","14.007","0.003","81.17","0.03","79.33","0.03","88.99","0.03","2431.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H96 Gd2 N14 O41 -","- C90 H82 Gd2 N14 O41 -","- C90 H82 Gd2 N14 O41 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.1807","0.1025","","","0.183","0.2401","","","","","","1.011","","","","has coordinates","250554","2020-10-21","18:00:00",""
"4134647","10.5126","0.0008","11.5747","0.0007","13.0705","0.0008","77.021","0.005","77.706","0.006","66.522","0.006","1407.86","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H58 Br4 N10 O18 -","- C54 H58 Br4 N10 O18 -","- C54 H58 Br4 N10 O18 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0443","0.0317","","","0.0589","0.0632","","","","","","1.013","","","","has coordinates","250555","2020-10-21","18:00:00",""
"4134648","10.641","0.002","11.699","0.002","15.585","0.003","99.44","0.03","99.77","0.03","105.65","0.03","1795.6","0.7","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C73 H45 Cd2 F16 N11 O19 -","- C73 H34 Cd2 F16 N11 O19 -","- C73 H34 Cd2 F16 N11 O19 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0627","0.0575","","","0.1233","0.1272","","","","","","1.018","","","","has coordinates","250556","2020-10-21","18:00:00",""
"4134649","13.41","0.003","13.637","0.003","13.674","0.003","81.29","0.03","89.58","0.03","77.57","0.03","2413","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H102 N14 O44 Tb2 -","- C90 H82 N14 O44 Tb2 -","- C90 H82 N14 O44 Tb2 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0816","0.0663","","","0.1415","0.1508","","","","","","1.013","","","","has coordinates","250557","2020-10-21","18:00:00",""
"4134650","11.383","0.002","13.133","0.003","14.705","0.003","97.38","0.03","111.98","0.03","109.81","0.03","1833.9","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H90 Co N10 O40 -","- C62 H46 Co N10 O22 -","- C62 H46 Co N10 O22 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.1495","0.1137","","","0.2451","0.2722","","","","","","1.018","","","","has coordinates","250558","2020-10-21","18:00:00",""
"4134651","14.1263","0.0004","14.7486","0.0004","17.1292","0.0004","84.581","0.002","67.137","0.002","85.187","0.002","3269.34","0.16","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C111 H87 Cl16 Eu4 N13 O43 -","- C111 H71 Cl16 Eu4 N13 O43 -","- C111 H71 Cl16 Eu4 N13 O43 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0513","0.0442","","","0.1167","0.123","","","","","","0.985","","","","has coordinates","250559","2020-10-21","18:00:00",""
"4134652","8.6588","0.0017","12.578","0.003","14.189","0.003","90.8","0.03","98.72","0.03","107.1","0.03","1457.1","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H68 N12 O20 -","- C54 H42 N10 O18 -","- C54 H42 N10 O18 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.1626","0.1006","","","0.1821","0.211","","","","","","1.017","","","","has coordinates","250560","2020-10-21","18:00:00",""
"4134653","9.222","0.0005","13.1187","0.0007","13.2147","0.0006","66.628","0.005","72.463","0.004","80.647","0.004","1397.65","0.14","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C58 H64 N10 O19 -","- C58 H48 N10 O19 -","- C58 H48 N10 O19 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.0752","0.0628","","","0.1609","0.1712","","","","","","1.009","","","","has coordinates,has disorder","250561","2020-10-21","18:00:00",""
"4134654","28.526","0.006","24.457","0.005","30.314","0.006","90","","90","","90","","21149","7","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C148 H307 N20 O138.5 Zn6 -","- C148 H104 N20 O48 Zn6 -","- C592 H416 N80 O192 Zn24 -","4","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0874","0.0614","","","0.1414","0.1616","","","","","","1.013","","","","has coordinates","250562","2020-10-21","18:00:00",""
"4134655","13.505","0.003","13.637","0.003","13.752","0.003","98.74","0.03","101.75","0.03","90.05","0.03","2449.5","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H102 N14 Nd2 O44 -","- C90 H82 N14 Nd2 O44 -","- C90 H82 N14 Nd2 O44 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.1575","0.0952","","","0.1765","0.2227","","","","","","1.025","","","","has coordinates","250563","2020-10-21","18:00:00",""
"4134656","14.0288","0.0008","14.7086","0.0008","17.4117","0.0008","84.418","0.004","67.062","0.005","84.129","0.004","3284.9","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C102 H99 Br16 Eu4 N10 O56.5 -","- C102 H50 Br16 Eu4 N10 O44 -","- C102 H50 Br16 Eu4 N10 O44 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0959","0.0648","","","0.1657","0.186","","","","","","1.031","","","","has coordinates,has disorder","250564","2020-10-21","18:00:00",""
"4134657","13.527","0.003","13.726","0.003","13.879","0.003","80.92","0.03","77.64","0.03","89.22","0.03","2485.1","1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene)_ 5 2,5-dihydroxyterephthalate dianion_ 2 europium(III)_4 DMF_10 H2O","","- C90 H102 Eu2 N14 O44 -","- C90 H82 Eu2 N14 O44 -","- C90 H82 Eu2 N14 O44 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0813","0.056","","","0.1039","0.1216","","","","","","1.002","","","","has coordinates","250565","2020-10-21","18:00:00",""
"4134658","11.4584","0.0009","13.1978","0.0014","14.2186","0.0017","94.837","0.009","112.155","0.009","112.422","0.009","1774.3","0.4","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C62 H80 N10 O35 Zn -","- C62 H57 N10 O35 Zn -","- C62 H57 N10 O35 Zn -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.0853","0.0798","","","0.2117","0.2162","","","","","","1.014","","","","has coordinates,has disorder","250566","2020-10-21","18:00:00",""
"4134659","10.1496","0.0003","12.415","0.0005","13.5453","0.0004","93.516","0.003","104.544","0.003","112.869","0.004","1497.89","0.11","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H78 N14 O24 -","- C54 H46 N14 O24 -","- C54 H46 N14 O24 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.0538","0.0506","","","0.1435","0.1469","","","","","","1.008","","","","has coordinates","250567","2020-10-21","18:00:00",""
"4134660","8.155","0.003","13.187","0.003","17.132","0.003","96.26","0.018","90.4","0.02","107.24","0.03","1747.6","0.9","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C78 H68 N10 O29 -","- C78 H61 N10 O29 -","- C78 H61 N10 O29 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.1273","0.0784","","","0.1781","0.2175","","","","","","1.008","","","","has coordinates,has disorder","250568","2020-10-21","18:00:00",""
"4134661","7.2423","0.0014","9.97","0.002","19.83","0.004","90","","90","","90","","1431.8","0.5","173.15","","173.15","","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C8 H18 Cd O11 -","- C8 H12 Cd O11 -","- C32 H48 Cd4 O44 -","4","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0324","0.0322","","","0.0845","0.0848","","","","","","1.001","","","","has coordinates","250569","2020-10-21","18:00:00",""
"4134662","11.5353","0.0007","12.0569","0.0007","13.2156","0.0008","83.027","0.005","68.372","0.005","65.893","0.005","1558.68","0.18","99.98","0.1","99.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C58 H78 N10 O22 -","- C58 H74 N10 O22 -","- C58 H74 N10 O22 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.0639","0.0548","","","0.1294","0.1372","","","","","","1.009","","","","has coordinates,has disorder","250570","2020-10-21","18:00:00",""
"4134663","8.4685","0.0004","15.1856","0.0004","25.6622","0.0007","74.699","0.002","89.369","0.003","78.998","0.003","3121.95","0.19","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H61 I4 N11 O18 -","- C56 H41 I4 N11 O18 -","- C112 H82 I8 N22 O36 -","2","1","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.0942","0.0643","","","0.1567","0.1721","","","","","","1.004","","","","has coordinates","250571","2020-10-21","18:00:00",""
"4134664","12.88","0.003","20.339","0.004","15.174","0.003","90","","114.07","0.03","90","","3629.4","1.6","173.15","","173.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C65 H81 Cd N11 O33 -","- C65 H53 Cd N11 O33 -","- C130 H106 Cd2 N22 O66 -","2","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0647","0.0637","","","0.1754","0.1764","","","","","","1.009","","","","has coordinates","250572","2020-10-21","18:00:00",""
"4134665","9.1462","0.0002","7.02845","0.00014","16.4441","0.0004","90","","90.62","0.002","90","","1057.02","0.04","174.99","0.1","174.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","C30H12F4N2","","- C30 H12 F4 N2 -","- C30 H12 F4 N2 -","- C60 H24 F8 N4 -","2","1","","Sun, Yanqiu; Lei, Yilong; Hu, Wenping; Wong, Wai-Yeung","Epitaxial Growth of Nanorod Meshes from Luminescent Organic Cocrystals via Crystal Transformation.","Journal of the American Chemical Society","2020","142","16","7265","7269","10.1021/jacs.0c00135","","x-ray","1.54184","CuKα","","0.0346","0.0323","","","0.1002","0.1021","","","","","","1.1","","","","has coordinates","251446","2020-10-21","18:00:00",""
"4134666","7.023","0.0014","33.943","0.007","17.584","0.004","90","","90.07","0.03","90","","4191.7","1.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 F4 N2 -","- C30 H12 F4 N2 -","- C240 H96 F32 N16 -","8","2","","Sun, Yanqiu; Lei, Yilong; Hu, Wenping; Wong, Wai-Yeung","Epitaxial Growth of Nanorod Meshes from Luminescent Organic Cocrystals via Crystal Transformation.","Journal of the American Chemical Society","2020","142","16","7265","7269","10.1021/jacs.0c00135","","","0.71073","MoKα","","0.0731","0.0601","","","0.1644","0.2065","","","","","","1.051","","","","has coordinates","251446","2020-10-21","18:00:00",""
"4134667","23.2214","0.0003","20.51134","0.00017","17.808","0.0002","90","","109.079","0.0014","90","","8016.05","0.17","225","2","225","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H52 Cu2 F6 N4 O6 S2 -","- C32 H52 Cu2 F6 N4 O6 S2 -","- C256 H416 Cu16 F48 N32 O48 S16 -","8","1","","Sharninghausen, Liam S.; Brooks, Allen F.; Winton, Wade P.; Makaravage, Katarina J.; Scott, Peter J. H.; Sanford, Melanie S.","NHC-Copper Mediated Ligand-Directed Radiofluorination of Aryl Halides.","Journal of the American Chemical Society","2020","142","16","7362","7367","10.1021/jacs.0c02637","","","1.54184","CuKα","","0.0415","0.0407","","","0.107","0.1078","","","","","","1.056","","","","has coordinates,has disorder","251449","2020-10-21","18:00:00",""
"4134668","8.4835","0.0006","11.9653","0.0008","12.0408","0.0007","87.075","0.005","80.401","0.005","71.73","0.006","1144.37","0.14","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H34 Cl2 Cu F N2 -","- C24 H34 Cl2 Cu F N2 -","- C48 H68 Cl4 Cu2 F2 N4 -","2","1","","Sharninghausen, Liam S.; Brooks, Allen F.; Winton, Wade P.; Makaravage, Katarina J.; Scott, Peter J. H.; Sanford, Melanie S.","NHC-Copper Mediated Ligand-Directed Radiofluorination of Aryl Halides.","Journal of the American Chemical Society","2020","142","16","7362","7367","10.1021/jacs.0c02637","","x-ray","1.54184","CuKα","","0.0421","0.0396","","","0.1011","0.1057","","","","","","1.054","","","","has coordinates","251449","2020-10-21","18:00:00",""
"4134669","8.9286","0.0002","16.9996","0.0004","22.4884","0.0005","90","","90","","90","","3413.35","0.13","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 Br Fe N5 O -","- C36 H46 Br Fe N5 O -","- C144 H184 Br4 Fe4 N20 O4 -","4","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0241","0.0218","","","0.0488","0.0498","","","","","","1.072","","","","has coordinates","251450","2020-10-21","18:00:00",""
"4134670","8.77732","0.00019","17.1427","0.0003","22.6633","0.0005","90","","90","","90","","3410.08","0.12","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 Cl Fe N5 O -","- C36 H46 Cl Fe N5 O -","- C144 H184 Cl4 Fe4 N20 O4 -","4","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0257","0.0238","","","0.0541","0.055","","","","","","1.055","","","","has coordinates","251450","2020-10-21","18:00:00",""
"4134671","12.6479","0.0004","13.0462","0.0004","21.3658","0.0007","90","","101.978","0.003","90","","3448.75","0.19","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H46.99 Br1.01 Fe N5 O1.99 -","- C36 H46.9886 Br1.0114 Fe N5 O1.9886 -","- C144 H187.954 Br4.0456 Fe4 N20 O7.9544 -","4","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0566","0.0388","","","0.0816","0.0889","","","","","","1.033","","","","has coordinates,has disorder","251450","2020-10-21","18:00:00",""
"4134672","32.8869","0.0009","11.113","0.0003","23.5812","0.0005","90","","90.019","0.002","90","","8618.3","0.4","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H62 Cl2 Fe N5 O3 -","- C44 H62 Cl2 Fe N5 O3 -","- C352 H496 Cl16 Fe8 N40 O24 -","8","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0371","0.0322","","","0.0764","0.079","","","","","","1.045","","","","has coordinates,has disorder","251450","2020-10-21","18:00:00",""
"4134673","12.6925","0.0003","13.0034","0.0003","21.3161","0.0005","90","","102.247","0.002","90","","3438.06","0.14","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H47 Cl1.06 Fe N5 O1.94 -","- C36 H47 Cl1.058 Fe N5 O1.942 -","- C144 H188 Cl4.232 Fe4 N20 O7.768 -","4","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0527","0.0422","","","0.1036","0.1101","","","","","","1.051","","","","has coordinates,has disorder","251450","2020-10-21","18:00:00",""
"4134674","14.4887","0.0002","22.9828","0.0002","21.1268","0.0002","90","","103.175","0.001","90","","6849.86","0.13","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C103 H207 Mo10 N4 Nb2 O42 P -","- C103 H207 Mo10 N4 Nb2 O42 P -","- C206 H414 Mo20 N8 Nb4 O84 P2 -","2","1","","Zhang, Guanyun; Gadot, Eyal; Gan-Or, Gal; Baranov, Mark; Tubul, Tal; Neyman, Alevtina; Li, Mu; Clotet, Anna; Poblet, Josep M.; Yin, Panchao; Weinstock, Ira A.","Self-Assembly and Ionic-Lattice-like Secondary Structure of a Flexible Linear Polymer of Highly Charged Inorganic Building Blocks.","Journal of the American Chemical Society","2020","142","16","7295","7300","10.1021/jacs.0c01486","","","0.71073","MoKα","","0.0666","0.0621","","","0.1503","0.1541","","","","","","1.02","","","","has coordinates,has disorder","251451","2020-10-21","18:00:00",""
"4134675","18.6068","0.0014","7.2917","0.0006","20.2774","0.0015","90","","110.916","0.002","90","","2569.9","0.3","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C28 H26 I2 N O2 P -","- C28 H26 I2 N O2 P -","- C112 H104 I8 N4 O8 P4 -","4","1","","Yan, Shengyi; Xia, Wang; Li, Shaoyu; Song, Qiuling; Xiang, Shao-Hua; Tan, Bin","Michael Reaction Inspired Atroposelective Construction of Axially Chiral Biaryls.","Journal of the American Chemical Society","2020","142","16","7322","7327","10.1021/jacs.0c01963","","x-ray","0.71073","MoKα","","0.0557","0.0501","","","0.1168","0.1197","","","","","","1.025","","","","has coordinates","251453","2020-10-21","18:00:00",""
"4134676","20.539","0.0019","14.8908","0.0014","15.0531","0.0015","90","","90","","90","","4603.9","0.8","100","2","99.93","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H18 Cu F6 N4 O2.5 Zr -","- C20 H18 Cu F6 N4 O2.5 Zr -","- C160 H144 Cu8 F48 N32 O20 Zr8 -","8","2","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0341","0.0317","","","0.0785","0.08","","","","","","1.044","","","","has coordinates,has disorder","251456","2020-10-21","18:00:00",""
"4134677","20.555","0.0007","14.8898","0.0005","15.0487","0.0005","90","","90","","90","","4605.8","0.3","100","2","100.04","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H18 Cu F6 Hf N4 O2.5 -","- C20 H18 Cu F6 Hf N4 O2.5 -","- C160 H144 Cu8 F48 Hf8 N32 O20 -","8","2","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0304","0.0248","","","0.0503","0.052","","","","","","1.042","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134678","7.1475","0.0003","9.9867","0.0004","10.8497","0.0004","91.854","0.002","106.408","0.002","104.499","0.002","714.81","0.05","100","2","99.98","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H24 Cu2 F12 N4 O4 Zr2 -","- C20 H24 Cu2 F12 N4 O4 Zr2 -","- C20 H24 Cu2 F12 N4 O4 Zr2 -","1","0.5","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0259","0.0217","","","0.0514","0.0531","","","","","","1.041","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134679","6.259","0.0003","9.2167","0.0005","12.2518","0.0007","90","","90.846","0.002","90","","706.7","0.07","100","","100.11","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C10 H12 Cu F6 Hf N2 O2 -","- C10 H12 Cu F6 Hf N2 O2 -","- C20 H24 Cu2 F12 Hf2 N4 O4 -","2","0.5","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0166","0.0162","","","0.0425","0.0428","","","","","","1.12","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134680","20.3754","0.0006","14.6737","0.0005","14.8668","0.0005","90","","90","","90","","4444.9","0.2","100","","100.07","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H18 Cu F6 N4 O2.5 Ti -","- C20 H18 Cu F6 N4 O2.5 Ti -","- C160 H144 Cu8 F48 N32 O20 Ti8 -","8","2","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0688","0.0424","","","0.0902","0.1021","","","","","","1.028","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134681","7.727","0.0001","14.3219","0.0003","12.3521","0.0003","90","","90","","90","","1366.95","0.05","100","2","99.97","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 Cu F6 N2 O2 Ti -","- C10 H12 Cu F6 N2 O2 Ti -","- C40 H48 Cu4 F24 N8 O8 Ti4 -","4","0.5","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0254","0.0225","","","0.0607","0.0622","","","","","","1.052","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134682","9.718","0.0019","10.43","0.002","10.479","0.002","109.11","0.03","102.3","0.03","96.78","0.03","960.1","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 F4 O -","- C25 H18 F4 O -","- C50 H36 F8 O2 -","2","1","","Xie, Weilong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source.","Journal of the American Chemical Society","2020","142","16","7487","7496","10.1021/jacs.0c00169","","","0.7","synchrotron","","0.0716","0.0568","","","0.1666","0.178","","","","","","1.109","","","","has coordinates,has disorder","251457","2020-10-21","18:00:00",""
"4134683","9.609","0.004","15.344","0.006","21.494","0.009","90","","90","","90","","3169","2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H38 F4 O5 -","- C36 H38 F4 O5 -","- C144 H152 F16 O20 -","4","1","","Xie, Weilong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source.","Journal of the American Chemical Society","2020","142","16","7487","7496","10.1021/jacs.0c00169","","","0.71073","MoKα","","0.1517","0.1053","","","0.1829","0.2036","","","","","","1.192","","","","has coordinates,has disorder","251457","2020-10-21","18:00:00",""
"4134684","11.057","0.002","15.078","0.003","22.516","0.005","90","","92.95","0.03","90","","3748.8","1.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 F4 O -","- C23 H20 F4 O -","- C184 H160 F32 O8 -","8","2","","Xie, Weilong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source.","Journal of the American Chemical Society","2020","142","16","7487","7496","10.1021/jacs.0c00169","","","0.75","synchrotron","","0.2105","0.1425","","","0.326","0.3523","","","","","","1.714","","","","has coordinates,has disorder","251457","2020-10-21","18:00:00",""
"4134685","13.666","0.003","8.146","0.0016","16.531","0.003","90","","98.73","0.03","90","","1819","0.6","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 F4 O -","- C23 H18 F4 O -","- C92 H72 F16 O4 -","4","1","","Xie, Weilong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source.","Journal of the American Chemical Society","2020","142","16","7487","7496","10.1021/jacs.0c00169","","","0.73","synchrotron","","0.0989","0.0521","","","0.1656","0.1883","","","","","","1","","","","has coordinates,has disorder","251457","2020-10-21","18:00:00",""
"4134686","34.417","0.003","34.417","0.003","26.544","0.002","90","","90","","120","","27230","4","100","","100","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C300 H420 Mg24 O138 -","- C300 H330 Mg24 O138 -","- C900 H990 Mg72 O414 -","3","0.166667","","Shao, Li; Hua, Bin; Hu, Xiangquan; Stalla, David; Kelley, Steven P.; Atwood, Jerry L.","Construction of Polymeric Metal-Organic Nanocapsule Networks via Supramolecular Coordination-Driven Self-Assembly.","Journal of the American Chemical Society","2020","142","16","7270","7275","10.1021/jacs.0c00640","","","0.71073","MoKα","","0.1325","0.081","","","0.2118","0.2488","","","","","","1.023","","","","has coordinates,has disorder","251458","2020-10-21","18:00:00",""
"4134687","37.025","0.005","36.916","0.005","26.53","0.004","90","","94.801","0.004","90","","36134","9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C265 H296 Mg24 N2 O129 -","- C265 H261 Mg24 N2 O129 -","- C1060 H1044 Mg96 N8 O516 -","4","1","","Shao, Li; Hua, Bin; Hu, Xiangquan; Stalla, David; Kelley, Steven P.; Atwood, Jerry L.","Construction of Polymeric Metal-Organic Nanocapsule Networks via Supramolecular Coordination-Driven Self-Assembly.","Journal of the American Chemical Society","2020","142","16","7270","7275","10.1021/jacs.0c00640","","","0.71073","MoKα","","0.1382","0.089","","","0.2539","0.2987","","","","","","1.027","","","","has coordinates","251458","2020-10-21","18:00:00",""
"4134688","9.4673","0.0008","11.3216","0.0009","32.085","0.003","90","","97.472","0.003","90","","3409.8","0.5","100.04","","100.04","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 Ni O -","- C24 H16 N2 Ni O -","- C192 H128 N16 Ni8 O8 -","8","2","","Wong, Yip-Sang; Tang, Man-Chung; Ng, Maggie; Yam, Vivian Wing-Wah","Toward the Design of Phosphorescent Emitters of Cyclometalated Earth-Abundant Nickel(II) and Their Supramolecular Study.","Journal of the American Chemical Society","2020","142","16","7638","7646","10.1021/jacs.0c02172","","x-ray","0.71073","MoKα","","0.057","0.0481","","","0.1165","0.1204","","","","","","1.167","","","","has coordinates","251459","2020-10-21","18:00:00",""
"4134689","9.772","0.003","14.573","0.004","9.077","0.004","90","","95.29","0.03","90","","1287.1","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 Cl N2 Ni -","- C16 H11 Cl N2 Ni -","- C64 H44 Cl4 N8 Ni4 -","4","0.5","","Wong, Yip-Sang; Tang, Man-Chung; Ng, Maggie; Yam, Vivian Wing-Wah","Toward the Design of Phosphorescent Emitters of Cyclometalated Earth-Abundant Nickel(II) and Their Supramolecular Study.","Journal of the American Chemical Society","2020","142","16","7638","7646","10.1021/jacs.0c02172","","","0.65295","Synchrotron","","0.0474","0.044","","","0.1184","0.122","","","","","","1.066","","","","has coordinates","251459","2020-10-21","18:00:00",""
"4134690","7.66791","0.00014","35.5294","0.0006","18.9331","0.0003","90","","90.5243","0.0017","90","","5157.85","0.15","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H108 Mn4 N20 O22 -","- C82 H108 Mn4 N20 O22 -","- C164 H216 Mn8 N40 O44 -","2","0.5","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","1.54184","CuKα","","0.0573","0.0525","","","0.1446","0.1488","","","","","","1.048","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134691","14.5195","0.0007","47.357","0.002","14.8983","0.0007","90","","101.308","0.001","90","","10045.2","0.8","120","2","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C166 H174 Mn4 N38 O16 -","- C166 H174 Mn4 N38 O16 -","- C332 H348 Mn8 N76 O32 -","2","0.5","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","0.71073","MoKα","","0.1036","0.0793","","","0.2406","0.2541","","","","","","1.065","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134692","47.019","0.002","8.0598","0.0003","41.8518","0.0019","90","","123.828","0.004","90","","13175.4","1.1","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H84 Cl6 Co4 N24 O38 -","- C90 H92 Cl6 Co4 N24 O38 -","- C360 H368 Cl24 Co16 N96 O152 -","4","0.5","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","1.54178","CuKα","","0.174","0.1293","","","0.3523","0.3894","","","","","","1.228","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134693","14.8683","0.0017","35.964","0.004","15.7673","0.0018","90","","115.88","0.003","90","","7585.6","1.5","120","2","119.99","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C37 H34 F3 N10 O10 S Zn2 -","- C37 H34 F3 N10 O10 S Zn2 -","- C148 H136 F12 N40 O40 S4 Zn8 -","4","1","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","0.71073","MoKα","","0.2173","0.1471","","","0.423","0.4519","","","","","","1.329","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134694","10.8346","0.0004","16.7939","0.0006","19.7458","0.0007","107.577","0.002","92.476","0.002","97.574","0.002","3382.1","0.2","120","2","120.02","","","","","","","","","5","P -1","-P 1","2","","","","- C136 H94 Mn4 N32 O18 -","- C136 H94 Mn4 N32 O18 -","- C136 H94 Mn4 N32 O18 -","1","0.5","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","0.71073","MoKα","","0.126","0.0817","","","0.2608","0.2928","","","","","","1.094","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134695","20.6977","0.0009","20.6977","0.0009","14.1093","0.0007","90","","90","","120","","5234.6","0.4","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C60 H120 N16 P4 U -","- C60 H120 N16 P4 U -","- C180 H360 N48 P12 U3 -","3","0.333333","","Rice, Natalie T.; McCabe, Karl; Bacsa, John; Maron, Laurent; La Pierre, Henry S.","Two-Electron Oxidative Atom Transfer at a Homoleptic, Tetravalent Uranium Complex.","Journal of the American Chemical Society","2020","142","16","7368","7373","10.1021/jacs.0c02693","","","0.71073","MoKα","","0.0579","0.057","","","0.1453","0.1469","","","","","","1.059","","","","has coordinates","251462","2020-10-21","18:00:00",""
"4134696","20.77","0.003","20.77","0.003","13.975","0.002","90","","90","","120","","5221","1.3","103.58","","103.58","","","","","","","","","6","R 3 :H","R 3","146","","","","- C60 H120 N16 O P4 U -","- C60 H120 N16 O P4 U -","- C180 H360 N48 O3 P12 U3 -","3","0.333333","","Rice, Natalie T.; McCabe, Karl; Bacsa, John; Maron, Laurent; La Pierre, Henry S.","Two-Electron Oxidative Atom Transfer at a Homoleptic, Tetravalent Uranium Complex.","Journal of the American Chemical Society","2020","142","16","7368","7373","10.1021/jacs.0c02693","","","0.71073","MoKα","","0.0651","0.0605","","","0.1498","0.1561","","","","","","1.101","","","","has coordinates","251462","2020-10-21","18:00:00",""
"4134697","14.9753","0.0017","22.266","0.003","47.714","0.006","90","","97.018","0.005","90","","15791","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H131 N17 P4 U -","- C69 H131 N17 P4 U -","- C552 H1048 N136 P32 U8 -","8","2","","Rice, Natalie T.; McCabe, Karl; Bacsa, John; Maron, Laurent; La Pierre, Henry S.","Two-Electron Oxidative Atom Transfer at a Homoleptic, Tetravalent Uranium Complex.","Journal of the American Chemical Society","2020","142","16","7368","7373","10.1021/jacs.0c02693","","","0.71073","MoKα","","0.0693","0.0534","","","0.122","0.1312","","","","","","1.035","","","","has coordinates,has disorder","251462","2020-10-21","18:00:00",""
"4134698","6.43","0.0001","12.1818","0.0001","25.8958","0.0002","90","","96.497","0.001","90","","2015.36","0.04","200","0.1","200","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N O -","- C26 H23 N O -","- C104 H92 N4 O4 -","4","1","","Lu, Zhiwu; Hu, Xu-Dong; Zhang, Hui; Zhang, Xiao-Wen; Cai, Jinhui; Usman, Muhammad; Cong, Hengjiang; Liu, Wen-Bo","Enantioselective Assembly of Cycloenones with a Nitrile-Containing All-Carbon Quaternary Center from Malononitriles Enabled by Ni Catalysis.","Journal of the American Chemical Society","2020","142","16","7328","7333","10.1021/jacs.0c02075","","x-ray","1.54184","CuKα","","0.0409","0.0394","","","0.1009","0.102","","","","","","1.026","","","","has coordinates","251447","2020-10-21","18:00:00",""
"4134699","23.866","0.002","6.6629","0.0006","13.5743","0.0011","90","","94.136","0.003","90","","2152.9","0.3","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H20 Br N O -","- C26 H20 Br N O -","- C104 H80 Br4 N4 O4 -","4","1","","Lu, Zhiwu; Hu, Xu-Dong; Zhang, Hui; Zhang, Xiao-Wen; Cai, Jinhui; Usman, Muhammad; Cong, Hengjiang; Liu, Wen-Bo","Enantioselective Assembly of Cycloenones with a Nitrile-Containing All-Carbon Quaternary Center from Malononitriles Enabled by Ni Catalysis.","Journal of the American Chemical Society","2020","142","16","7328","7333","10.1021/jacs.0c02075","","","1.54178","CuKα","","0.0331","0.0324","","","0.0863","0.0874","","","","","","1.045","","","","has coordinates","251447","2020-10-21","18:00:00",""
"4134700","12.657","0.004","12.75","0.004","13.869","0.005","108.039","0.001","115.597","0.008","93.053","0.003","1873","1.1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H31 B Cl2 N8 O -","- C45 H31 B Cl2 N8 O -","- C90 H62 B2 Cl4 N16 O2 -","2","1","","Winterfeld, Kim A.; Lavarda, Giulia; Yoshida, Kota; Bayerlein, Maximilian J.; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni","Synthesis and Optical Features of Axially and Peripherally Substituted Subporphyrins. A Paradigmatic Example of Charge Transfer versus Exciplex States.","Journal of the American Chemical Society","2020","142","17","7920","7929","10.1021/jacs.0c01646","","","1.54187","CuKα","","0.0909","0.0597","","","0.1714","0.1878","","","","","","1.064","","","","has coordinates,has disorder","251437","2020-10-21","18:00:00",""
"4134701","11.0129","0.0014","13.4588","0.0016","15.067","0.002","108.158","0.006","90.077","0.007","94.144","0.006","2115.8","0.5","270","2","270","2","","","","","","","","5","P -1","-P 1","2","SubPTCBDaniline_axial_E2","","","- C49.5 H32 B Cl N8 -","- C49.5 H32 B Cl N8 -","- C99 H64 B2 Cl2 N16 -","2","1","","Winterfeld, Kim A.; Lavarda, Giulia; Yoshida, Kota; Bayerlein, Maximilian J.; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni","Synthesis and Optical Features of Axially and Peripherally Substituted Subporphyrins. A Paradigmatic Example of Charge Transfer versus Exciplex States.","Journal of the American Chemical Society","2020","142","17","7920","7929","10.1021/jacs.0c01646","","","0.71073","MoKα","","0.2096","0.0977","","","0.2772","0.3459","","","","","","1.024","","","","has coordinates","251437","2020-10-21","18:00:00",""
"4134702","10.6906","0.0002","12.2749","0.0002","28.911","0.0006","90","","92.992","0.002","90","","3788.7","0.12","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H31 B N8 -","- C49 H31 B N8 -","- C196 H124 B4 N32 -","4","1","","Winterfeld, Kim A.; Lavarda, Giulia; Yoshida, Kota; Bayerlein, Maximilian J.; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni","Synthesis and Optical Features of Axially and Peripherally Substituted Subporphyrins. A Paradigmatic Example of Charge Transfer versus Exciplex States.","Journal of the American Chemical Society","2020","142","17","7920","7929","10.1021/jacs.0c01646","","","1.54184","CuKα","","0.0685","0.0509","","","0.1416","0.1533","","","","","","1.046","","","","has coordinates","251437","2020-10-21","18:00:00",""
"4134703","4.4481","0.0002","14.2679","0.0006","20.974","0.0012","90","","92.061","0.002","90","","1330.25","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Cl2 N O -","- C15 H11 Cl2 N O -","- C60 H44 Cl8 N4 O4 -","4","1","","Cui, Wen-Jun; Wu, Zhi-Jie; Gu, Qing; You, Shu-Li","Divergent Synthesis of Tunable Cyclopentadienyl Ligands and Their Application in Rh-Catalyzed Enantioselective Synthesis of Isoindolinone.","Journal of the American Chemical Society","2020","142","16","7379","7385","10.1021/jacs.0c02813","","","0.71073","MoKα","","0.0466","0.0375","","","0.0901","0.0976","","","","","","1.019","","","","has coordinates","251448","2020-10-21","18:00:00",""
"4134704","13.4491","0.0011","16.3991","0.0014","20.2594","0.0015","90","","90","","90","","4468.3","0.6","125","2","125","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Cp2TitBuNCHNtBuOTf","","","- C20 H29 F3 N2 O3 S Ti -","- C20 H29 F3 N2 O3 S Ti -","- C160 H232 F24 N16 O24 S8 Ti8 -","8","1","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0684","0.0499","","","0.0984","0.1054","","","","","","1.073","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134705","15.4192","0.0007","8.5253","0.0004","14.8104","0.0007","90","","112.358","0.002","90","","1800.52","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cp2TitBuNCNtBu","","","- C19 H28 N2 Ti -","- C19 H28 N2 Ti -","- C76 H112 N8 Ti4 -","4","1","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0349","0.0287","","","0.0771","0.0803","","","","","","1.042","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134706","10.6267","0.0005","13.3909","0.0006","23.1232","0.0011","90","","101.037","0.002","90","","3229.6","0.3","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cp2TiCyNCNCyTiCp2","","","- C39 H48 N2 O0 Ti2 -","- C39 H48 N2 Ti2 -","- C156 H192 N8 Ti8 -","4","1","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0763","0.0621","","","0.1507","0.1598","","","","","","1.082","","","","has coordinates,has disorder","251439","2020-10-21","18:00:00",""
"4134707","10.4518","0.0016","19.916","0.003","21.075","0.003","99.063","0.006","104.113","0.007","90.366","0.005","4196.8","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Cp4Ti2CyNCNCy","","","- C33 H42 N2 Ti2 -","- C33 H42 N2 Ti2 -","- C198 H252 N12 Ti12 -","6","3","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0872","0.0731","","","0.1747","0.1806","","","","","","1.186","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134708","11.7346","0.0007","30.286","0.002","15.7125","0.0011","90","","107.969","0.003","90","","5311.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cp2TiTEMPO2","","","- C28 H46 N2 O2 Ti -","- C28 H46 N2 O2 Ti -","- C224 H368 N16 O16 Ti8 -","8","2","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.114","0.0573","","","0.1239","0.1461","","","","","","1.018","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134709","14.933","0.006","8.546","0.003","15.746","0.005","90","","114.223","0.013","90","","1832.5","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cp2TitBuNCHNtBu","","","- C19 H29 N2 Ti -","- C19 H29 N2 Ti -","- C76 H116 N8 Ti4 -","4","1","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0877","0.0508","","","0.1016","0.1155","","","","","","1.034","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134710","15.4482","0.0005","11.305","0.0004","10.4848","0.0004","90","","90","","90","","1831.09","0.11","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cp2TitBuNCSNtBu","","","- C19 H28 N2 S Ti -","- C19 H28 N2 S Ti -","- C76 H112 N8 S4 Ti4 -","4","0.5","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0357","0.0283","","","0.0696","0.0755","","","","","","1.084","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134711","12.38233","0.00011","12.66874","0.00012","7.66215","0.00006","90","","90","","90","","1201.95","0.018","300","","300","","","","","","","","","4","P n 21 m","P -2 -2bc","31","","","","- Li0.687 Nb5 O15 Pb2.157 -","- Li0.685 Nb5 O15 Pb2.1565 -","- Li2.74 Nb20 O60 Pb8.626 -","4","1","","Lin, Kun; Gong, Pifu; Chu, Shihang; Li, Qiang; Lin, Zheshuai; Wu, Hui; Wang, Qingxiao; Wang, Jinguo; Kim, Moon J.; Kato, Kenichi; Wang, Chin-Wei; Liu, Xinzhi; Huang, Qingzhen; Chen, Jun; Zhu, He; Deng, Jinxia; Xing, Xianran","Strong Second Harmonic Generation in a Tungsten Bronze Oxide by Enhancing Local Structural Distortion.","Journal of the American Chemical Society","2020","142","16","7480","7486","10.1021/jacs.0c00133","powder diffraction","neutron","2.0775","neutron","","0.088","0.0787","","0.0653","0.0629","","","","2.13","","","","","","","has coordinates","251452","2020-10-21","18:00:00",""
"4134712","8.9632","0.0019","8.3819","0.0019","12.045","0.004","90","","107.15","0.03","90","","864.7","0.4","299","2","299","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 F O4 -","- C20 H17 F O4 -","- C40 H34 F2 O8 -","2","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.54178","CuKα","","0.0526","0.0473","","","0.1274","0.1334","","","","","","1.061","","","","has coordinates","251442","2020-10-21","18:00:00",""
"4134713","29.794","0.002","19.1363","0.0013","16.7518","0.0011","90","","113.055","0.002","90","","8788.1","1","288","2","288","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C82 H106 Cl O14 P2 Pd2 -","- C82 H106 Cl O14 P2 Pd2 -","- C328 H424 Cl4 O56 P8 Pd8 -","4","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.54178","CuKα","","0.0722","0.0535","","","0.138","0.1619","","","","","","1.089","","","","has coordinates","251442","2020-10-21","18:00:00",""
"4134714","11.6485","0.0003","7.7932","0.0002","11.8264","0.0003","90","","115.44","0.001","90","","969.49","0.04","301","2","301","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C48 H44 O8 -","2","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.54178","CuKα","","0.038","0.0339","","","0.0917","0.0961","","","","","","1.041","","","","has coordinates","251442","2020-10-21","18:00:00",""
"4134715","8.4534","0.0002","8.7745","0.0002","26.1457","0.0006","90","","90","","90","","1939.34","0.08","302","2","301.97","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 O5 -","- C23 H20 O5 -","- C92 H80 O20 -","4","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.34139","GaKα","","0.0472","0.0417","","","0.0959","0.0999","","","","","","1.052","","","","has coordinates","251442","2020-10-21","18:00:00",""
"4134716","9.9875","0.0001","11.3241","0.0001","46.9874","0.0003","90","","90","","90","","5314.25","0.08","100","0.3","100","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 N O3 S -","- C32 H31 N O3 S -","- C256 H248 N8 O24 S8 -","8","2","","Hong, Feng-Lin; Chen, Yang-Bo; Ye, Si-Han; Zhu, Guang-Yu; Zhu, Xin-Qi; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Copper-Catalyzed Asymmetric Reaction of Alkenyl Diynes with Styrenes by Formal [3 + 2] Cycloaddition via Cu-Containing All-Carbon 1,3-Dipoles: Access to Chiral Pyrrole-Fused Bridged [2.2.1] Skeletons.","Journal of the American Chemical Society","2020","142","16","7618","7626","10.1021/jacs.0c01918","","x-ray","1.54184","CuKα","","0.0356","0.0348","","","0.0871","0.0876","","","","","","1.049","","","","has coordinates","251455","2020-10-21","18:00:00",""
"4134717","9.7618","0.0001","10.0699","0.0001","12.2302","0.0001","90","","101.541","0.001","90","","1177.93","0.02","99.8","0.9","99.8","0.9","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H27 N O3 S -","- C29 H27 N O3 S -","- C58 H54 N2 O6 S2 -","2","1","","Hong, Feng-Lin; Chen, Yang-Bo; Ye, Si-Han; Zhu, Guang-Yu; Zhu, Xin-Qi; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Copper-Catalyzed Asymmetric Reaction of Alkenyl Diynes with Styrenes by Formal [3 + 2] Cycloaddition via Cu-Containing All-Carbon 1,3-Dipoles: Access to Chiral Pyrrole-Fused Bridged [2.2.1] Skeletons.","Journal of the American Chemical Society","2020","142","16","7618","7626","10.1021/jacs.0c01918","","x-ray","1.54184","CuKα","","0.0272","0.0265","","","0.0671","0.0675","","","","","","1.031","","","","has coordinates","251455","2020-10-21","18:00:00",""
"4134718","8.5056","0.0001","13.3487","0.0003","25.1954","0.0005","90","","90","","90","","2860.65","0.09","99.9","0.9","99.9","0.9","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 N O3 S -","- C35 H33 N O3 S -","- C140 H132 N4 O12 S4 -","4","1","","Hong, Feng-Lin; Chen, Yang-Bo; Ye, Si-Han; Zhu, Guang-Yu; Zhu, Xin-Qi; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Copper-Catalyzed Asymmetric Reaction of Alkenyl Diynes with Styrenes by Formal [3 + 2] Cycloaddition via Cu-Containing All-Carbon 1,3-Dipoles: Access to Chiral Pyrrole-Fused Bridged [2.2.1] Skeletons.","Journal of the American Chemical Society","2020","142","16","7618","7626","10.1021/jacs.0c01918","","x-ray","1.54184","CuKα","","0.0665","0.0619","","","0.1546","0.1688","","","","","","1.136","","","","has coordinates","251455","2020-10-21","18:00:00",""
"4134719","17.4434","0.0012","5.892","0.0003","14.9985","0.001","90","","97.462","0.003","90","","1528.44","0.17","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 O3 P -","- C18 H15 O3 P -","- C72 H60 O12 P4 -","4","1","","Walton, Finlay; Bolling, John; Farrell, Andrew; MacEwen, Jamie; Syme, Christopher D.; Jiménez, Mario González; Senn, Hans M.; Wilson, Claire; Cinque, Gianfelice; Wynne, Klaas","Polyamorphism Mirrors Polymorphism in the Liquid-Liquid Transition of a Molecular Liquid.","Journal of the American Chemical Society","2020","142","16","7591","7597","10.1021/jacs.0c01712","","","0.71073","MoKα","","0.0509","0.0438","","","0.1036","0.1069","","","","","","1.07","","","","has coordinates","251464","2020-10-21","18:00:00",""
"4134720","9.9613","0.0003","12.3262","0.0004","15.8096","0.0005","89.843","0.003","88.801","0.002","82.682","0.002","1924.95","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H28 F18 N O2 P Pd -","- C37 H28 F18 N O2 P Pd -","- C74 H56 F36 N2 O4 P2 Pd2 -","2","1","","Su, Bo; Bunescu, Ala; Qiu, Yehao; Zuend, Stephan J.; Ernst, Martin; Hartwig, John F.","Palladium-catalyzed oxidation of β-C(sp3)-H bond of primary alkylamines through a rare four-membered palladacycle intermediate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01629","","","0.71073","MoKα","","0.0418","0.0366","","","0.0967","0.0998","","","","","","1.058","","","","has coordinates,has disorder","250794","2020-10-21","18:00:00",""
"4134721","19.1646","0.0004","7.6938","0.0001","14.4178","0.0003","90","","108.664","0.002","90","","2014.09","0.07","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 N2 O2 Pd -","- C22 H28 N2 O2 Pd -","- C88 H112 N8 O8 Pd4 -","4","0.5","","Su, Bo; Bunescu, Ala; Qiu, Yehao; Zuend, Stephan J.; Ernst, Martin; Hartwig, John F.","Palladium-catalyzed oxidation of β-C(sp3)-H bond of primary alkylamines through a rare four-membered palladacycle intermediate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01629","","","0.71073","MoKα","","0.0181","0.017","","","0.0436","0.0442","","","","","","1.067","","","","has coordinates","250795","2020-10-21","18:00:00",""
"4134722","8.9433","0.0003","34.4853","0.0009","9.5969","0.0003","90","","113.354","0.004","90","","2717.32","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 N2 O6 Pd2 -","- C26 H34 N2 O6 Pd2 -","- C104 H136 N8 O24 Pd8 -","4","1","","Su, Bo; Bunescu, Ala; Qiu, Yehao; Zuend, Stephan J.; Ernst, Martin; Hartwig, John F.","Palladium-catalyzed oxidation of β-C(sp3)-H bond of primary alkylamines through a rare four-membered palladacycle intermediate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01629","","","0.71073","MoKα","","0.0291","0.0237","","","0.0505","0.052","","","","","","1.039","","","","has coordinates","250796","2020-10-21","18:00:00",""
"4134723","9.3693","0.0002","9.1331","0.0002","12.3504","0.0002","90","","107.386","0.002","90","","1008.55","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 Cl2 N O7 -","- C17 H27 Cl2 N O7 -","- C34 H54 Cl4 N2 O14 -","2","1","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0278","0.0274","","","0.0743","0.0745","","","","","","1.05","","","","has coordinates","251465","2020-10-21","18:00:00",""
"4134724","31.4309","0.0009","12.0536","0.0003","25.2006","0.0008","90","","118.833","0.004","90","","8363.8","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H26 Cl2 N O7.5 -","- C17 H26 Cl2 N O7.5 -","- C272 H416 Cl32 N16 O120 -","16","2","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0724","0.0652","","","0.1761","0.1817","","","","","","1.058","","","","has coordinates,has disorder","251465","2020-10-21","18:00:00",""
"4134725","10.4482","0.0004","10.733","0.0004","10.9047","0.0004","91.558","0.002","113.438","0.002","118.425","0.002","950.51","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H25 Cl2 N O7 -","- C17 H25 Cl2 N O7 -","- C34 H50 Cl4 N2 O14 -","2","1","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0505","0.0358","","","0.0773","0.0834","","","","","","1.061","","","","has coordinates","251465","2020-10-21","18:00:00",""
"4134726","24.6919","0.0015","7.6839","0.0004","9.7357","0.0006","90","","91.381","0.006","90","","1846.62","0.19","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H25 N O8 -","- C17 H25 N O8 -","- C68 H100 N4 O32 -","4","1","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0352","0.0338","","","0.0855","0.0864","","","","","","1.063","","","","has coordinates","251465","2020-10-21","18:00:00",""
"4134727","9.6479","0.0001","19.6056","0.0003","37.8797","0.0005","90","","90","","90","","7165.05","0.16","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H22 Cl2 N O5 -","- C16 H22 Cl2 N O5 -","- C256 H352 Cl32 N16 O80 -","16","2","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0359","0.032","","","0.0868","0.0895","","","","","","1.043","","","","has coordinates","251465","2020-10-21","18:00:00",""
"4134728","10.975","0.002","11.916","0.002","17.67","0.003","92.41","0.004","98.443","0.004","103.385","0.004","2216.8","0.7","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H15 Al F36 O4 S2 -","- C34 H15 Al F36 O4 S2 -","- C68 H30 Al2 F72 O8 S4 -","2","1","","Tang, Shuxuan; Zhang, Li; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","A Magnetically Robust Triplet Ground State Sulfur-Hydrocarbon Diradical Dication.","Journal of the American Chemical Society","2020","142","16","7340","7344","10.1021/jacs.0c02141","","","0.71073","MoKα","","0.0802","0.053","","","0.1258","0.1416","","","","","","1.046","","","","has coordinates","251466","2020-10-21","18:00:00",""
"4134729","11.8539","0.0004","11.8577","0.0004","11.8905","0.0004","67.399","0.001","74.886","0.001","81.448","0.001","1487.4","0.09","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H30 S4 -","- C36 H30 S4 -","- C72 H60 S8 -","2","1","","Tang, Shuxuan; Zhang, Li; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","A Magnetically Robust Triplet Ground State Sulfur-Hydrocarbon Diradical Dication.","Journal of the American Chemical Society","2020","142","16","7340","7344","10.1021/jacs.0c02141","","","1.34139","GaKα","","0.0354","0.0306","","","0.0806","0.084","","","","","","1.026","","","","has coordinates,has disorder","251466","2020-10-21","18:00:00",""
"4134730","21.5825","0.0009","10.977","0.0006","30.8704","0.0013","90","","98.337","0.002","90","","7236.3","0.6","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H46 Al F36 O4 S4 -","- C66 H46 Al F36.0005 O4 S4 -","- C264 H184 Al4 F144.002 O16 S16 -","4","1","","Tang, Shuxuan; Zhang, Li; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","A Magnetically Robust Triplet Ground State Sulfur-Hydrocarbon Diradical Dication.","Journal of the American Chemical Society","2020","142","16","7340","7344","10.1021/jacs.0c02141","","","0.71073","MoKα","","0.1341","0.0841","","","0.2027","0.2323","","","","","","1.039","","","","has coordinates,has disorder","251466","2020-10-21","18:00:00",""
"4134731","10.3835","0.0007","11.9083","0.0008","13.5373","0.001","80.634","0.004","88.346","0.004","76.95","0.004","1608.9","0.2","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H54 F24 N6 P4 -","- C68 H54 F24 N6 P4 -","- C68 H54 F24 N6 P4 -","1","0.5","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","0.71073","MoKα","","0.0589","0.0435","","","0.1069","0.1165","","","","","","1.024","","","","has coordinates,has disorder","251441","2020-10-21","18:00:00",""
"4134732","7.2668","0.0016","12.68","0.003","20.209","0.007","80.52","0.03","84.99","0.02","87.23","0.02","1828.6","0.9","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H64 F24 N6 P4 -","- C82 H64 F24 N6 P4 -","- C82 H64 F24 N6 P4 -","1","0.5","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","1.54178","CuKα","","0.2287","0.1461","","","0.3218","0.3735","","","","","","1.096","","","","has coordinates","251441","2020-10-21","18:00:00",""
"4134733","41.838","0.006","12.659","0.0019","29.003","0.004","90","","94.518","0.003","90","","15313","4","100","2","100.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H54 F24 N6 P4 -","- C68 H54 F24 N6 P4 -","- C544 H432 F192 N48 P32 -","8","1","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","0.71073","MoKα","","0.1516","0.1223","","","0.3618","0.3937","","","","","","1.573","","","","has coordinates","251441","2020-10-21","18:00:00",""
"4134734","12.0098","0.0009","34.634","0.003","39.679","0.003","90","","90","","90","","16504","2","100","2","100","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C68 H54 F24 N6 P4 -","- C68 H54 F24 N6 P4 -","- C544 H432 F192 N48 P32 -","8","0.5","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","1.54178","CuKα","","0.0903","0.0752","","","0.204","0.2162","","","","","","1.044","","","","has coordinates,has disorder","251441","2020-10-21","18:00:00",""
"4134735","11.9331","0.0007","14.1803","0.0009","42.533","0.002","90","","90","","90","","7197.2","0.7","100","2","99.98","","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C65 H49.5 F24 N4.5 P4 -","- C65 H49.5 F24 N4.5 P4 -","- C260 H198 F96 N18 P16 -","4","1","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","1.54178","CuKα","","0.2299","0.1971","","","0.4554","0.4836","","","","","","1.717","","","","has coordinates,has disorder","251441","2020-10-21","18:00:00",""
"4134736","10.0922","0.0006","11.2174","0.0006","12.9069","0.0007","90.7726","0.0014","102.013","0.0014","114.075","0.0013","1296.91","0.13","298","2","298.01","","","","","","","","","3","P -1","-P 1","2","","","","- C56 H68 Sn2 -","- C56 H68 Sn2 -","- C56 H68 Sn2 -","1","0.5","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","","0.71073","MoKα","","0.1558","0.0646","","","0.1485","0.1881","","","","","","0.973","","","","has coordinates","250858","2020-10-21","18:00:00",""
"4134737","9.2973","0.001","10.4393","0.0011","15.0098","0.0015","102.391","0.003","99.151","0.003","115.642","0.002","1229.1","0.2","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C64 H36 I4 -","- C64 H36 I4 -","- C64 H36 I4 -","1","1","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","","0.71073","MoKα","","0.1308","0.0654","","","0.0912","0.1056","","","","","","1.06","","","","has coordinates","250859","2020-10-21","18:00:00",""
"4134738","8.8782","0.0004","23.1887","0.0011","22.1751","0.0011","90","","98.8238","0.001","90","","4511.2","0.4","127","2","127.43","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2.6 H1.49 I0.19 -","- C2.60465 H1.48837 I0.186047 -","- C224 H128 I16 -","86","21.5","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","","0.71073","MoKα","","0.0558","0.0337","","","0.0664","0.0744","","","","","","1.061","","","","has coordinates","250860","2020-10-21","18:00:00",""
"4134739","12.8601","0.0013","20.375","0.002","11.4044","0.0012","90","","108.467","0.002","90","","2834.4","0.5","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H15 Cl3 I2 N2 -","- C31 H15 Cl3 I2 N2 -","- C124 H60 Cl12 I8 N8 -","4","1","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","","0.71073","MoKα","","0.0934","0.0523","","","0.109","0.1305","","","","","","1.104","","","","has coordinates","250861","2020-10-21","18:00:00",""
"4134740","28.313","0.002","18.0423","0.0009","8.0929","0.0004","90","","90","","90","","4134.1","0.4","150","0.1","150","0.1","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C56 H54 -","- C56 H54 -","- C224 H216 -","4","1","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","x-ray","1.54184","CuKα","","0.153","0.1389","","","0.3553","0.3662","","","","","","1.465","","","","has coordinates","250862","2020-10-21","18:00:00",""
"4134741","9.1268","0.0007","18.1759","0.0013","18.251","0.0013","99.0899","0.0013","90.13","0.0014","90.1473","0.0013","2989.6","0.4","128","2","128.58","","","","","","","","","3","P -1","-P 1","2","","","","- C2.53 H1.4 I0.14 -","- C2.52632 H1.40351 I0.138614 -","- C144 H80 I7.901 -","57","28.5","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","","0.71073","MoKα","","0.1148","0.0709","","","0.1449","0.1603","","","","","","1.066","","","","has coordinates","250863","2020-10-21","18:00:00",""
"4134742","14.5262","0.0012","17.6511","0.0016","18.136","0.0016","64.033","0.003","69.797","0.002","67.014","0.002","3762.4","0.6","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C H I O -","- C3.23636 H1.96364 I0.218182 O0.218182 -","- C178 H108 I12 O12 -","55","27.5","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","","0.71073","MoKα","","0.1303","0.0681","","","0.115","0.1367","","","","","","1.093","","","","has coordinates","250864","2020-10-21","18:00:00",""
"4134743","11.483","0.002","11.901","0.002","18.093","0.004","90.88","0.03","96.38","0.03","91.6","0.03","2455.9","0.8","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H43 F18 N13 P3 V -","- C40 H43 F18 N13 P3 V -","- C80 H86 F36 N26 P6 V2 -","2","1","","Dorn, Matthias; Kalmbach, Jens; Boden, Pit; Päpcke, Ayla; Gómez, Sandra; Förster, Christoph; Kuczelinis, Felix; Carrella, Luca M.; Büldt, Laura A; Bings, Nicolas H.; Rentschler, Eva; Lochbrunner, Stefan; González, Leticia; Gerhards, Markus; Seitz, Michael; Heinze, Katja","A Vanadium(III) Complex with Blue and NIR-II Spin-Flip Luminescence in Solution.","Journal of the American Chemical Society","2020","142","17","7947","7955","10.1021/jacs.0c02122","","","0.71073","MoKα","","0.0548","0.0409","","","0.106","0.1126","","","","","","1.028","","","","has coordinates,has disorder","251438","2020-10-21","18:00:00",""
"4134744","19.6982","0.0013","18.6978","0.0013","20.3197","0.0014","90","","90","","90","","7484","0.9","100","2","100.03","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38.88 H51.66 Ni P2 S Si -","- C38.884 H51.652 Ni P2 S Si -","- C311.072 H413.216 Ni8 P16 S8 Si8 -","8","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","0.71073","MoKα","","0.0547","0.0355","","","0.0793","0.0866","","","","","","1.02","","","","has coordinates","251440","2020-10-21","18:00:00",""
"4134745","10.579","0.0004","26.7073","0.0009","13.485","0.0005","90","","96.329","0.001","90","","3786.8","0.2","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 K Ni P2 S Si -","- C36 H45 K Ni P2 S Si -","- C144 H180 K4 Ni4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","0.71073","MoKα","","0.0429","0.0319","","","0.0739","0.0782","","","","","","1.023","","","","has coordinates,has disorder","251440","2020-10-21","18:00:00",""
"4134746","16.5609","0.0017","19.0517","0.001","24.6555","0.0018","90","","108.276","0.004","90","","7386.7","1","100","2","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H52 N Ni O P2 S Si -","- C40 H52 N Ni O P2 S Si -","- C320 H416 N8 Ni8 O8 P16 S8 Si8 -","8","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","0.71073","MoKα","","0.063","0.0441","","","0.0901","0.0972","","","","","","1.067","","","","has coordinates","251440","2020-10-21","18:00:00",""
"4134747","10.6333","0.0009","23.759","0.004","13.7441","0.0013","90","","107.008","0.006","90","","3320.4","0.7","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Ni P2 S Si -","- C36 H44 Ni P2 S Si -","- C144 H176 Ni4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","1.54178","CuKα","","0.0597","0.0511","","","0.1213","0.1255","","","","","","1.153","","","","has coordinates","251440","2020-10-21","18:00:00",""
"4134748","11.6307","0.0006","24.5754","0.0012","17.3135","0.0007","90","","103.426","0.002","90","","4813.5","0.4","100","2","100.02","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H57 Li Ni O P2 S Si -","- C41 H57 Li Ni O P2 S Si -","- C164 H228 Li4 Ni4 O4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","0.71073","MoKα","","0.0927","0.0665","","","0.1457","0.1564","","","","","","1.059","","","","has coordinates,has disorder","251440","2020-10-21","18:00:00",""
"4134749","12.5356","0.0008","17.6421","0.0011","15.1447","0.0016","90","","91.473","0.005","90","","3348.2","0.5","100","2","100.02","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36.87 H46.6 N0.26 Ni P2 S Si -","- C36.868 H46.604 N0.264 Ni P2 S Si -","- C147.472 H186.416 N1.056 Ni4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","1.54178","CuKα","","0.0459","0.0352","","","0.0868","0.0924","","","","","","1.023","","","","has coordinates,has disorder","251440","2020-10-21","18:00:00",""
"4134750","26.428","0.005","34.545","0.007","48.902","0.01","79.82","0.03","85.36","0.03","78.09","0.03","42951","16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C312 H210 Co6 F72 N72 O48 S24 -","- C296 H210 Co6 F24 N64 O16 S8 -","- C1184 H840 Co24 F96 N256 O64 S32 -","4","2","","Rizzuto, Felix J.; Nitschke, Jonathan R.","Narcissistic, Integrative, and Kinetic Self-Sorting within a System of Coordination Cages.","Journal of the American Chemical Society","2020","142","17","7749","7753","10.1021/jacs.0c02444","","","0.6889","Synchrotron","","0.2107","0.1698","","","0.3991","0.4249","","","","","","1.089","","","","has coordinates,has disorder","251444","2020-10-21","18:00:00",""
"4134751","24.6743","0.0007","10.7666","0.0003","14.6325","0.0004","90","","100.481","0.003","90","","3822.39","0.19","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H66 O3 Si3 -","- C36 H66 O3 Si3 -","- C144 H264 O12 Si12 -","4","1","","Liang, Xin-Ting; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of (-)-Spirochensilide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02522","","x-ray","0.71073","MoKα","","0.0623","0.0443","","","0.1153","0.1251","","","","","","1.072","","","","has coordinates,has disorder","250936","2020-10-21","18:00:00",""
"4134752","10.9749","0.0003","24.6837","0.0008","13.5232","0.0004","90","","95.884","0.003","90","","3644.15","0.19","104.6","","104.6","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H59 Cl O3 Si2 -","- C33 H59 Cl O3 Si2 -","- C132 H236 Cl4 O12 Si8 -","4","1","","Liang, Xin-Ting; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of (-)-Spirochensilide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02522","","","0.71073","MoKα","","0.0782","0.0526","","","0.1033","0.1141","","","","","","1.034","","","","has coordinates","250937","2020-10-21","18:00:00",""
"4134753","7.3602","0.0005","17.1118","0.0011","26.8552","0.0016","93.828","0.005","96.178","0.005","92.265","0.005","3351.4","0.4","106.4","","106.4","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H58 O3 Si2 -","- C33 H58 O3 Si2 -","- C132 H232 O12 Si8 -","4","2","","Liang, Xin-Ting; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of (-)-Spirochensilide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02522","","","0.71073","MoKα","","0.1769","0.0824","","","0.114","0.147","","","","","","0.99","","","","has coordinates,has disorder","250938","2020-10-21","18:00:00",""
"4134754","14.4159","0.0007","12.894","0.0005","28.4623","0.0012","90","","90","","90","","5290.5","0.4","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H42 O5 -","- C30 H42 O5 -","- C240 H336 O40 -","8","1","","Liang, Xin-Ting; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of (-)-Spirochensilide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02522","","x-ray","0.71073","MoKα","","0.1225","0.0656","","","0.1282","0.148","","","","","","1.007","","","","has coordinates","250939","2020-10-21","18:00:00",""
"4134755","11.6286","0.0003","15.8231","0.0004","17.4203","0.0005","73.227","0.002","81.077","0.002","71.98","0.002","2910.8","0.14","180","0.1","180","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C53 H86 Br2 O6 Si3 -","- C53 H86 Br2 O6 Si3 -","- C106 H172 Br4 O12 Si6 -","2","1","","Liang, Xin-Ting; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of (-)-Spirochensilide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02522","","x-ray","0.71073","MoKα","","0.0872","0.05","","","0.1066","0.1187","","","","","","1.038","","","","has coordinates,has disorder","250940","2020-10-21","18:00:00",""
"4134756","19.3242","0.0013","20.652","0.0016","19.7232","0.0018","90","","97.318","0.008","90","","7807.1","1.1","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H66 O3 Si3 -","- C36 H66 O3 Si3 -","- C288 H528 O24 Si24 -","8","2","","Liang, Xin-Ting; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of (-)-Spirochensilide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02522","","x-ray","0.71073","MoKα","","0.1566","0.0897","","","0.1803","0.2124","","","","","","1.058","","","","has coordinates,has disorder","250941","2020-10-21","18:00:00",""
"4134757","15.6733","0.0003","23.5355","0.0004","26.0438","0.0004","90","","90","","90","","9607","0.3","100","0.1","100","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C94 H124 Al2 Cl4 Mn2 N4 O21 -","- C94 H124 Al2 Cl4 Mn2 N4 O21 -","- C376 H496 Al8 Cl16 Mn8 N16 O84 -","4","1","","Lamb, Jessica R.; Hubbell, Aran K.; MacMillan, Samantha N.; Coates, Geoffrey W.","Carbonylative, Catalytic Deoxygenation of 2,3-Disubstituted Epoxides with Inversion of Stereochemistry: An Alternative Alkene Isomerization Method.","Journal of the American Chemical Society","2020","142","17","8029","8035","10.1021/jacs.0c02653","","x-ray","0.71073","MoKα","","0.045","0.0404","","","0.1021","0.1044","","","","","","1.021","","","","has coordinates,has disorder","251443","2020-10-21","18:00:00",""
"4134758","7.0319","0.0004","8.2216","0.0003","22.6065","0.0012","100.434","0.004","91.333","0.005","93.497","0.004","1282.17","0.11","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 O2 Si -","- C20 H20 O2 Si -","- C40 H40 O4 Si2 -","2","1","","Tang, Jinghua; Liu, Liu Leo; Yang, Shangru; Cong, Xuefeng; Luo, Meiming; Zeng, Xiaoming","Chemoselective Cross-Coupling between Two Different and Unactivated C(aryl)-O Bonds Enabled by Chromium Catalysis.","Journal of the American Chemical Society","2020","142","17","7715","7720","10.1021/jacs.0c00283","","x-ray","0.71073","MoKα","","0.0911","0.0533","","","0.1321","0.1476","","","","","","0.978","","","","has coordinates,has disorder","251445","2020-10-21","18:00:00",""
"4134759","10.6831","0.0002","16.4143","0.0004","20.2856","0.0004","91.674","0.002","98.011","0.001","98.486","0.002","3479.41","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H96 Fe2 N8 O2 P2 -","- C76 H96 Fe2 N8 O2 P2 -","- C152 H192 Fe4 N16 O4 P4 -","2","1","","Liu, Tianchang; Gau, Michael R.; Tomson, Neil C.","Mimicking the Constrained Geometry of a Nitrogen-Fixation Intermediate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01861","","x-ray","0.71073","MoKα","","0.0672","0.0557","","","0.1431","0.1501","","","","","","1.029","","","","has coordinates","251027","2020-10-21","18:00:00",""
"4134760","9.8631","0.0006","13.0959","0.0008","20.1607","0.0012","91.874","0.002","92.34","0.002","106.816","0.002","2487.9","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H81 Fe2 N8 O P2 -","- C45 H81 Fe2 N8 O P2 -","- C90 H162 Fe4 N16 O2 P4 -","2","1","","Liu, Tianchang; Gau, Michael R.; Tomson, Neil C.","Mimicking the Constrained Geometry of a Nitrogen-Fixation Intermediate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01861","","","0.71073","MoKα","","0.0603","0.044","","","0.1","0.1063","","","","","","1.111","","","","has coordinates","251028","2020-10-21","18:00:00",""
"4134761","16.121","0.0012","20.2886","0.0017","19.1144","0.0015","90","","101.203","0.004","90","","6132.7","0.8","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C109 H152 B20 Cl2 Ir4 N8 O5 S4 -","- C100 H126 B20 Ir4 N8 O S4 -","- C200 H252 B40 Ir8 N16 O2 S8 -","2","0.5","","Cui, Peng-Fei; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Dihydrogen Bond Interaction Induced Separation of Hexane Isomers by Self-Assembled Carborane Metallacycles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03176","","","1.34138","GaKα","","0.1665","0.1127","","","0.2765","0.33","","","","","","1.025","","","","has coordinates,has disorder","251029","2020-10-21","18:00:00",""
"4134762","22.3072","0.0009","17.7179","0.0008","30.6044","0.0014","90","","90","","90","","12096","0.9","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C112 H152 B20 Ir4 N8 O8 S4 -","- C104 H120 B20 Ir4 N8 S4 -","- C416 H480 B80 Ir16 N32 S16 -","4","0.5","","Cui, Peng-Fei; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Dihydrogen Bond Interaction Induced Separation of Hexane Isomers by Self-Assembled Carborane Metallacycles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03176","","","1.34138","GaKα","","0.0926","0.073","","","0.1754","0.1859","","","","","","1.068","","","","has coordinates,has disorder","251030","2020-10-21","18:00:00",""
"4134763","12.2385","0.0019","7.2735","0.0011","12.385","0.0019","90","","106.522","0.002","90","","1057","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 B5 N S -","- C8 H11 B5 N S -","- C32 H44 B20 N4 S4 -","4","1","","Cui, Peng-Fei; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Dihydrogen Bond Interaction Induced Separation of Hexane Isomers by Self-Assembled Carborane Metallacycles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03176","","","0.71073","MoKα","","0.0528","0.0441","","","0.1173","0.1217","","","","","","1.144","","","","has coordinates","251031","2020-10-21","18:00:00",""
"4134764","30.973","0.002","36.178","0.0018","26.393","0.002","90","","118.943","0.005","90","","25881","3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C101 H163 B20 F12 Ir4 N17 O19 S8 -","- C73 H108 B20 F3 Ir4 N8 O3 S5 -","- C584 H864 B160 F24 Ir32 N64 O24 S40 -","8","1","","Cui, Peng-Fei; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Dihydrogen Bond Interaction Induced Separation of Hexane Isomers by Self-Assembled Carborane Metallacycles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03176","","","1.34138","GaKα","","0.0828","0.0776","","","0.221","0.2266","","","","","","1.01","","","","has coordinates,has disorder","251032","2020-10-21","18:00:00",""
"4134765","21.999","0.004","18.835","0.004","27.602","0.006","90","","90","","90","","11437","4","143","2","143","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C106 H136 F12 Ir4 N4 O26 S4 -","- C96 H108 F12 Ir4 N4 O22 S4 -","- C384 H432 F48 Ir16 N16 O88 S16 -","4","0.5","","Cui, Peng-Fei; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Dihydrogen Bond Interaction Induced Separation of Hexane Isomers by Self-Assembled Carborane Metallacycles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03176","","","1.34138","GaKα","","0.0439","0.0422","","","0.1206","0.1226","","","","","","1.035","","","","has coordinates,has disorder","251033","2020-10-21","18:00:00",""
"4134766","9.1947","0.0004","12.5315","0.0005","12.6998","0.0005","68.868","0.001","72.203","0.001","72.296","0.001","1268.24","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Au N O0.5 P -","- C30 H29 Au N O0.5 P -","- C60 H58 Au2 N2 O P2 -","2","1","","Zeman, Charles J.; Shen, Yu-Hsuan; Heller, Jessica; Abboud, Khalil A.; Schanze, Kirk S.; Veige, Adam S.","Excited State Turn-On of Aurophilicity and Tunability of Relativistic Effects in a Series of Digold Triazolates Synthesized via iClick.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01624","","","0.71073","MoKα","","0.0153","0.0149","","","0.0343","0.0344","","","","","","1.132","","","","has coordinates,has disorder","251034","2020-10-21","18:00:00",""
"4134767","14.4013","0.0005","22.8626","0.0008","17.4326","0.0005","90","","111.053","0.0011","90","","5356.6","0.3","173","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25.5 H22 Au Cl3 N3 P S -","- C25.5 H22 Au Cl3 N3 P S -","- C204 H176 Au8 Cl24 N24 P8 S8 -","8","2","","Zeman, Charles J.; Shen, Yu-Hsuan; Heller, Jessica; Abboud, Khalil A.; Schanze, Kirk S.; Veige, Adam S.","Excited State Turn-On of Aurophilicity and Tunability of Relativistic Effects in a Series of Digold Triazolates Synthesized via iClick.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01624","","","0.71073","MoKα","","0.0507","0.0386","","","0.0878","0.0939","","","","","","1.044","","","","has coordinates,has disorder","251035","2020-10-21","18:00:00",""
"4134768","17.4021","0.0016","22.787","0.002","11.8185","0.001","90","","90","","90","","4686.5","0.7","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C43.5 H36 Au2 Cl3 N3 P2 S -","- C43.5 H36 Au2 Cl3 N3 P2 S -","- C174 H144 Au8 Cl12 N12 P8 S4 -","4","1","","Zeman, Charles J.; Shen, Yu-Hsuan; Heller, Jessica; Abboud, Khalil A.; Schanze, Kirk S.; Veige, Adam S.","Excited State Turn-On of Aurophilicity and Tunability of Relativistic Effects in a Series of Digold Triazolates Synthesized via iClick.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01624","","","0.71073","MoKα","","0.0488","0.0377","","","0.0933","0.0989","","","","","","1.067","","","","has coordinates,has disorder","251036","2020-10-21","18:00:00",""
"4134769","11.3232","0.0005","14.8436","0.0006","15.9362","0.0007","108.324","0.0013","110.093","0.0011","91.327","0.0013","2361.95","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H46 Au2 Cl6 N4 P2 -","- C46 H40 Au2 N4 P2 -","- C92 H80 Au4 N8 P4 -","2","1","","Zeman, Charles J.; Shen, Yu-Hsuan; Heller, Jessica; Abboud, Khalil A.; Schanze, Kirk S.; Veige, Adam S.","Excited State Turn-On of Aurophilicity and Tunability of Relativistic Effects in a Series of Digold Triazolates Synthesized via iClick.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01624","","","0.71073","MoKα","","0.029","0.0269","","","0.0651","0.0673","","","","","","1.08","","","","has coordinates","251037","2020-10-21","18:00:00",""
"4134770","11.4948","0.0004","12.7123","0.0005","13.9821","0.0006","96.619","0.001","93.383","0.001","92.209","0.001","2023.86","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 Au2 P2 S2 -","- C48 H36 Au2 P2 S2 -","- C96 H72 Au4 P4 S4 -","2","1","","Zeman, Charles J.; Shen, Yu-Hsuan; Heller, Jessica; Abboud, Khalil A.; Schanze, Kirk S.; Veige, Adam S.","Excited State Turn-On of Aurophilicity and Tunability of Relativistic Effects in a Series of Digold Triazolates Synthesized via iClick.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01624","","","0.71073","MoKα","","0.0198","0.0179","","","0.0418","0.0427","","","","","","1.049","","","","has coordinates,has disorder","251038","2020-10-21","18:00:00",""
"4134771","12.5803","0.0014","13.1347","0.0014","25.578","0.003","90","","100.26","0.002","90","","4158.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H35 Au2 N3 P2 S2 -","- C46 H35 Au2 N3 P2 S2 -","- C184 H140 Au8 N12 P8 S8 -","4","1","","Zeman, Charles J.; Shen, Yu-Hsuan; Heller, Jessica; Abboud, Khalil A.; Schanze, Kirk S.; Veige, Adam S.","Excited State Turn-On of Aurophilicity and Tunability of Relativistic Effects in a Series of Digold Triazolates Synthesized via iClick.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01624","","","0.71073","MoKα","","0.0668","0.0575","","","0.1381","0.1442","","","","","","1.07","","","","has coordinates,has disorder","251039","2020-10-21","18:00:00",""
"4134772","18.267","0.003","21.858","0.003","23.701","0.004","90","","106.167","0.007","90","","9089","2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H135 Fe2 K4 N8 O12.5 -","- C84 H135 Fe2 K4 N8 O12.5 -","- C336 H540 Fe8 K16 N32 O50 -","4","1","","Sorsche, Dieter; Miehlich, Matthias E.; Searles, Keith; Gouget, Guillaume; Zolnhofer, Eva M.; Fortier, Skye; Chen, Chun-Hsing; Gau, Michael; Carroll, Patrick J.; Murray, Christopher B.; Caulton, Kenneth G.; Khusniyarov, Marat M.; Meyer, Karsten; Mindiola, Daniel J.","Unusual Dinitrogen Binding and Electron Storage in Dinuclear Iron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01488","","","0.71073","MoKα","","0.0713","0.043","","","0.0929","0.1041","","","","","","1.025","","","","has coordinates,has disorder","251040","2020-10-21","18:00:00",""
"4134773","23.887","0.004","13.743","0.002","23.071","0.004","90","","99.689","0.006","90","","7466","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C79 H106 Fe2 K2 N8 -","- C79 H106 Fe2 K2 N8 -","- C316 H424 Fe8 K8 N32 -","4","0.5","","Sorsche, Dieter; Miehlich, Matthias E.; Searles, Keith; Gouget, Guillaume; Zolnhofer, Eva M.; Fortier, Skye; Chen, Chun-Hsing; Gau, Michael; Carroll, Patrick J.; Murray, Christopher B.; Caulton, Kenneth G.; Khusniyarov, Marat M.; Meyer, Karsten; Mindiola, Daniel J.","Unusual Dinitrogen Binding and Electron Storage in Dinuclear Iron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01488","","","0.71073","MoKα","","0.041","0.0299","","","0.0714","0.076","","","","","","1.034","","","","has coordinates,has disorder","251041","2020-10-21","18:00:00",""
"4134774","11.038","0.0006","14.8077","0.0008","19.1696","0.0011","103.576","0.004","103.321","0.004","93.031","0.004","2944.7","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C60.5 H88 Fe2 K2 N8 -","- C60.5 H88 Fe2 K2 N8 -","- C121 H176 Fe4 K4 N16 -","2","1","","Sorsche, Dieter; Miehlich, Matthias E.; Searles, Keith; Gouget, Guillaume; Zolnhofer, Eva M.; Fortier, Skye; Chen, Chun-Hsing; Gau, Michael; Carroll, Patrick J.; Murray, Christopher B.; Caulton, Kenneth G.; Khusniyarov, Marat M.; Meyer, Karsten; Mindiola, Daniel J.","Unusual Dinitrogen Binding and Electron Storage in Dinuclear Iron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01488","","","0.71073","MoKα","","0.1862","0.0937","","","0.2322","0.2901","","","","","","1.026","","","","has coordinates,has disorder","251042","2020-10-21","18:00:00",""
"4134775","15.2409","0.001","19.6205","0.0013","25.0846","0.0016","90","","95.114","0.003","90","","7471.3","0.8","100","","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H114 Fe2 K2 N6 O2 -","- C71 H114 Fe2 K2 N6 O2 -","- C284 H456 Fe8 K8 N24 O8 -","4","1","","Sorsche, Dieter; Miehlich, Matthias E.; Searles, Keith; Gouget, Guillaume; Zolnhofer, Eva M.; Fortier, Skye; Chen, Chun-Hsing; Gau, Michael; Carroll, Patrick J.; Murray, Christopher B.; Caulton, Kenneth G.; Khusniyarov, Marat M.; Meyer, Karsten; Mindiola, Daniel J.","Unusual Dinitrogen Binding and Electron Storage in Dinuclear Iron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01488","","","0.71073","MoKα","","0.071","0.0614","","","0.1959","0.2024","","","","","","1.061","","","","has coordinates,has disorder","251043","2020-10-21","18:00:00",""
"4134776","14.1935","0.0005","14.9296","0.0005","20.5175","0.0007","106.481","0.0014","107.308","0.0013","99.2665","0.0014","3834.6","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C80 H118 Fe K2 N6 O2 -","- C80 H118 Fe K2 N6 O2 -","- C160 H236 Fe2 K4 N12 O4 -","2","1","","Sorsche, Dieter; Miehlich, Matthias E.; Searles, Keith; Gouget, Guillaume; Zolnhofer, Eva M.; Fortier, Skye; Chen, Chun-Hsing; Gau, Michael; Carroll, Patrick J.; Murray, Christopher B.; Caulton, Kenneth G.; Khusniyarov, Marat M.; Meyer, Karsten; Mindiola, Daniel J.","Unusual Dinitrogen Binding and Electron Storage in Dinuclear Iron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01488","","","0.71073","MoKα","","0.1438","0.0881","","","0.1922","0.2177","","","","","","1.044","","","","has coordinates,has disorder","251044","2020-10-21","18:00:00",""
"4134777","9.8917","0.0005","13.3478","0.0007","20.5374","0.001","81.598","0.001","87.079","0.001","89.906","0.001","2679","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H82 Fe2 N6 -","- C58 H82 Fe2 N6 -","- C116 H164 Fe4 N12 -","2","1","","Sorsche, Dieter; Miehlich, Matthias E.; Searles, Keith; Gouget, Guillaume; Zolnhofer, Eva M.; Fortier, Skye; Chen, Chun-Hsing; Gau, Michael; Carroll, Patrick J.; Murray, Christopher B.; Caulton, Kenneth G.; Khusniyarov, Marat M.; Meyer, Karsten; Mindiola, Daniel J.","Unusual Dinitrogen Binding and Electron Storage in Dinuclear Iron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01488","","","0.71073","MoKα","","0.0579","0.0391","","0.1091","0.09","0.1091","","","","","","1.0509","","","","has coordinates","251045","2020-10-21","18:00:00",""
"4134778","10.1912","0.0004","26.8069","0.0009","20.4707","0.0007","90","","100.862","0.002","90","","5492.3","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrabutylammonium [N,N'-Bis(2,6-diisopropylphenyl)-2,6-pyridinedicarboxamido] copper chloride tetrahydrofuran solvate","","- C55 H89.62 Cl Cu N4 O4.31 -","- C55 H89.6666 Cl Cu N4 O4.3333 -","- C220 H358.666 Cl4 Cu4 N16 O17.3332 -","4","1","","Bower, Jamey K.; Cypcar, Andrew D.; Henriquez, Brenda; Stieber, S Chantal E; Zhang, Shiyu","C(sp<sup>3</sup>)-H Fluorination with a Copper(II)/(III) Redox Couple.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02583","","x-ray","0.71073","MoKα","","0.0453","0.0371","","","0.0936","0.098","","","","","","1.036","","","","has coordinates,has disorder","251084","2020-10-21","18:00:00",""
"4134779","9.1436","0.0009","13.9372","0.0013","15.675","0.0013","90","","97.531","0.004","90","","1980.3","0.3","150","","150","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","['N,N'-Bis(2,6-diisopropylphenyl)-2,6-pyridinedicarboxamido] copper fluoride fluorobenzene solvate","","- C43 H47 Cu F3 N3 O2 -","- C43 H47 Cu F3 N3 O2 -","- C86 H94 Cu2 F6 N6 O4 -","2","0.5","","Bower, Jamey K.; Cypcar, Andrew D.; Henriquez, Brenda; Stieber, S Chantal E; Zhang, Shiyu","C(sp<sup>3</sup>)-H Fluorination with a Copper(II)/(III) Redox Couple.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02583","","x-ray","0.71073","MoKα","","0.0698","0.0474","","","0.0922","0.0992","","","","","","1.057","","","","has coordinates,has disorder","251085","2020-10-21","18:00:00",""
"4134780","19.3809","0.0009","13.1487","0.0006","15.3938","0.0007","90","","95.551","0.002","90","","3904.5","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[N,N'-Bis(2,6-diisopropylphenyl)-2,6-pyridinedicarboxamido] copper chloride diethyl ether solvate","","- C39 H57 Cl Cu N3 O4 -","- C39 H57 Cl Cu N3 O4 -","- C156 H228 Cl4 Cu4 N12 O16 -","4","0.5","","Bower, Jamey K.; Cypcar, Andrew D.; Henriquez, Brenda; Stieber, S Chantal E; Zhang, Shiyu","C(sp<sup>3</sup>)-H Fluorination with a Copper(II)/(III) Redox Couple.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02583","","x-ray","0.71073","MoKα","","0.0447","0.037","","","0.0935","0.0978","","","","","","1.042","","","","has coordinates,has disorder","251086","2020-10-21","18:00:00",""
"4134781","15.0248","0.0016","17.643","0.002","30.044","0.003","90","","90","","90","","7964.1","1.5","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis(triphenylphosphoranylidene)ammonium [N,N'-Bis(2,6-diisopropylphenyl)- 2,6-pyridinedicarboxamido] copper fluoride tetrahydrofuran solvate","","- C87 H107 Cu F N4 O7 P2 -","- C87 H107 Cu F N4 O7 P2 -","- C348 H428 Cu4 F4 N16 O28 P8 -","4","1","","Bower, Jamey K.; Cypcar, Andrew D.; Henriquez, Brenda; Stieber, S Chantal E; Zhang, Shiyu","C(sp<sup>3</sup>)-H Fluorination with a Copper(II)/(III) Redox Couple.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02583","","x-ray","0.71073","MoKα","","0.0491","0.0396","","","0.0989","0.103","","","","","","1.031","","","","has coordinates,has disorder","251087","2020-10-21","18:00:00",""
"4134782","19.5193","0.0018","13.327","0.0013","15.3535","0.0014","90","","94.521","0.003","90","","3981.5","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","PDACuBr","[N,N'-Bis(2,6-diisopropylphenyl)-2,6-pyridinedicarboxamido] copper bromide diethyl ether solvate","","- C39 H57 Br Cu N3 O4 -","- C39 H57 Br Cu N3 O4 -","- C156 H228 Br4 Cu4 N12 O16 -","4","0.5","","Bower, Jamey K.; Cypcar, Andrew D.; Henriquez, Brenda; Stieber, S Chantal E; Zhang, Shiyu","C(sp<sup>3</sup>)-H Fluorination with a Copper(II)/(III) Redox Couple.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02583","","x-ray","0.71073","MoKα","","0.0293","0.0244","","","0.0637","0.0663","","","","","","1.041","","","","has coordinates","251088","2020-10-21","18:00:00",""
"4134783","10.2228","0.0004","26.7001","0.001","20.482","0.0008","90","","101.079","0.002","90","","5486.4","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrabutylammonium [N,N'-Bis(2,6-diisopropylphenyl)- 2,6-pyridinedicarboxamido] copper bromide","","- C55 H89 Br Cu N4 O4 -","- C55 H89 Br Cu N4 O4 -","- C220 H356 Br4 Cu4 N16 O16 -","4","1","","Bower, Jamey K.; Cypcar, Andrew D.; Henriquez, Brenda; Stieber, S Chantal E; Zhang, Shiyu","C(sp<sup>3</sup>)-H Fluorination with a Copper(II)/(III) Redox Couple.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02583","","x-ray","0.71073","MoKα","","0.049","0.0366","","","0.0937","0.0988","","","","","","1.053","","","","has coordinates","251089","2020-10-21","18:00:00",""
"4134784","39.604","0.002","12.148","0.0006","15.6435","0.001","90","","90","","90","","7526.2","0.7","273.15","","273.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H60 Br Co N3 O -","- C38 H60 Br Co N3 O -","- C304 H480 Br8 Co8 N24 O8 -","8","1","","Sengupta, Debabrata; Sandoval-Pauker, Christian; Schueller, Emily C.; Encerrado-Manriquez, Angela M; Metta-Magana, Alejandro J; Lee, Wen-Yee; Seshadri, Ram; Pintér, Balázs; Fortier, Skye","Isolation of a Bimetallic Cobalt(III) Nitride and Examination of Its Hydrogen Atom Abstraction Chemistry and Reactivity Towards H2.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00291","","x-ray","0.71073","MoKα","","0.198","0.1156","","","0.1787","0.199","","","","","","1.203","","","","has coordinates","251090","2020-10-21","18:00:00",""
"4134785","17.7543","0.0014","21.2404","0.0015","10.2959","0.0009","90","","91.993","0.004","90","","3880.3","0.5","99.99","","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H104 Co2 N12 O2 -","- C76 H104 Co2 N12 O2 -","- C152 H208 Co4 N24 O4 -","2","0.5","","Sengupta, Debabrata; Sandoval-Pauker, Christian; Schueller, Emily C.; Encerrado-Manriquez, Angela M; Metta-Magana, Alejandro J; Lee, Wen-Yee; Seshadri, Ram; Pintér, Balázs; Fortier, Skye","Isolation of a Bimetallic Cobalt(III) Nitride and Examination of Its Hydrogen Atom Abstraction Chemistry and Reactivity Towards H2.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00291","","x-ray","0.71073","MoKα","","0.0781","0.0608","","","0.1504","0.1624","","","","","","1.051","","","","has coordinates,has disorder","251091","2020-10-21","18:00:00",""
"4134786","15.7471","0.0007","18.5697","0.0007","23.0557","0.001","78.769","0.002","73.599","0.002","68.813","0.002","5997.9","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C235.11 H318 Co6 N24 -","- C235.104 H318 Co6 N24 -","- C235.104 H318 Co6 N24 -","1","0.5","","Sengupta, Debabrata; Sandoval-Pauker, Christian; Schueller, Emily C.; Encerrado-Manriquez, Angela M; Metta-Magana, Alejandro J; Lee, Wen-Yee; Seshadri, Ram; Pintér, Balázs; Fortier, Skye","Isolation of a Bimetallic Cobalt(III) Nitride and Examination of Its Hydrogen Atom Abstraction Chemistry and Reactivity Towards H2.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00291","","x-ray","0.71073","MoKα","","0.0782","0.0531","","","0.1255","0.1367","","","","","","1.039","","","","has coordinates,has disorder","251092","2020-10-21","18:00:00",""
"4134787","30.437","0.002","16.9734","0.0011","15.1227","0.0011","90","","90","","90","","7812.7","0.9","99.96","","99.96","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C79 H124 Br0.19 Co2 N10.3 -","- C79 H124 Br0.195 Co2 N10.29 -","- C316 H496 Br0.78 Co8 N41.16 -","4","1","","Sengupta, Debabrata; Sandoval-Pauker, Christian; Schueller, Emily C.; Encerrado-Manriquez, Angela M; Metta-Magana, Alejandro J; Lee, Wen-Yee; Seshadri, Ram; Pintér, Balázs; Fortier, Skye","Isolation of a Bimetallic Cobalt(III) Nitride and Examination of Its Hydrogen Atom Abstraction Chemistry and Reactivity Towards H2.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00291","","","0.71073","MoKα","","0.0643","0.0479","","","0.1138","0.1222","","","","","","1.037","","","","has coordinates,has disorder","251093","2020-10-21","18:00:00",""
"4134788","12.4567","0.0009","12.6505","0.001","16.5318","0.0012","70.454","0.004","72.443","0.003","70.308","0.004","2258.4","0.3","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C90 H130 Co2 N13 Na O4 -","- C90 H130 Co2 N13 Na O4 -","- C90 H130 Co2 N13 Na O4 -","1","0.5","","Sengupta, Debabrata; Sandoval-Pauker, Christian; Schueller, Emily C.; Encerrado-Manriquez, Angela M; Metta-Magana, Alejandro J; Lee, Wen-Yee; Seshadri, Ram; Pintér, Balázs; Fortier, Skye","Isolation of a Bimetallic Cobalt(III) Nitride and Examination of Its Hydrogen Atom Abstraction Chemistry and Reactivity Towards H2.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00291","","x-ray","0.71073","MoKα","","0.082","0.0635","","","0.1469","0.1585","","","","","","1.042","","","","has coordinates","251094","2020-10-21","18:00:00",""
"4134789","14.6658","0.0016","17.54","0.002","19.039","0.0019","108.894","0.008","106.654","0.008","102.13","0.008","4184","0.9","299","2","298.97","","","","","","","","","7","P -1","-P 1","2","","","","- C140 H120 F48 N12 O4 P8 Zn -","- C140 H120 F48 N12 O4 P8 Zn -","- C140 H120 F48 N12 O4 P8 Zn -","1","0.5","","Liu, Wenqi; Lin, Chenjian; Weber, Jacob Andrew; Stern, Charlotte L.; Young, Ryan M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Cyclophane-Sustained Ultrastable Porphyrins.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02311","","","1.54178","CuKα","","0.1265","0.0928","","","0.2544","0.2863","","","","","","1.071","","","","has coordinates,has disorder","251095","2020-10-21","18:00:00",""
"4134790","14.66878","0.00016","17.5021","0.0002","19.14358","0.00019","108.97","0.001","106.693","0.001","102.297","0.001","4189.71","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C134 H110 F48 N12 O2 P8 -","- C134 H110 F48 N12 O2 P8 -","- C134 H110 F48 N12 O2 P8 -","1","0.5","","Liu, Wenqi; Lin, Chenjian; Weber, Jacob Andrew; Stern, Charlotte L.; Young, Ryan M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Cyclophane-Sustained Ultrastable Porphyrins.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02311","","x-ray","1.54184","CuKα","","0.0672","0.0571","","","0.1601","0.1671","","","","","","1.039","","","","has coordinates,has disorder","251096","2020-10-21","18:00:00",""
"4134791","20.0407","0.001","12.4313","0.0007","5.1226","0.0002","90","","90","","90","","1276.2","0.11","125","2","125","2","","","","","","","","5","P n a 21","P 2c -2n","33","20006z","","","- C12 H14 Cl F3 O -","- C12 H14 Cl F3 O -","- C48 H56 Cl4 F12 O4 -","4","1","","Xu, Shiyan; Holst, Hannah Marie; McGuire, Shelby Barbara; Race, Nicholas James","Reagent control enables selective and regiodivergent opening of unsymmetrical phenonium ions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02095","","","0.71073","MoKα","","0.0416","0.0355","","","0.0868","0.0918","","","","","","1.021","","","","has coordinates","251142","2020-10-21","18:00:00",""
"4134792","9.388","0.003","5.204","0.002","26.465","0.009","90","","98.911","0.015","90","","1277.3","0.8","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","20007z","","","- C13 H17 Cl O3 -","- C13 H17 Cl O3 -","- C52 H68 Cl4 O12 -","4","1","","Xu, Shiyan; Holst, Hannah Marie; McGuire, Shelby Barbara; Race, Nicholas James","Reagent control enables selective and regiodivergent opening of unsymmetrical phenonium ions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02095","","","0.71073","MoKα","","0.062","0.044","","","0.1043","0.1145","","","","","","1.004","","","","has coordinates,has disorder","251143","2020-10-21","18:00:00",""
"4134793","13.1227","0.001","6.1014","0.0004","14.7877","0.0009","90","","111.106","0.004","90","","1104.58","0.13","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H33 N O3 -","- C21 H33 N O3 -","- C42 H66 N2 O6 -","2","1","","He, Rui; Huo, Xiaohong; Zhao, Ling; Wang, Feijun; Jiang, Liyin; Liao, Jian; Zhang, Wanbin","Stereodivergent Pd/Cu Catalysis for the Dynamic Kinetic Asymmetric Transformation of Racemic Unsymmetrical 1,3-Disubstituted Allyl Acetates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02150","","","1.54178","CuKα","","0.0937","0.0524","","","0.1338","0.1633","","","","","","0.99","","","","has coordinates","251144","2020-10-21","18:00:00",""
"4134794","6.367","0.0003","17.479","0.0008","19.6003","0.0009","90","","90","","90","","2181.29","0.17","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 N O3 -","- C21 H33 N O3 -","- C84 H132 N4 O12 -","4","1","","He, Rui; Huo, Xiaohong; Zhao, Ling; Wang, Feijun; Jiang, Liyin; Liao, Jian; Zhang, Wanbin","Stereodivergent Pd/Cu Catalysis for the Dynamic Kinetic Asymmetric Transformation of Racemic Unsymmetrical 1,3-Disubstituted Allyl Acetates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02150","","","1.54178","CuKα","","0.0479","0.0405","","","0.1081","0.1159","","","","","","1.03","","","","has coordinates","251145","2020-10-21","18:00:00",""
"4134795","8.2796","0.0003","32.4638","0.0007","24.8002","0.0007","90","","98.611","0.003","90","","6590.8","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 N5 O9 S -","- C29 H31 N5 O9 S -","- C232 H248 N40 O72 S8 -","8","2","","Walker, Morgan M.; Koronkiewicz, Brian; Chen, Shuming; Houk, K. N.; Mayer, James M.; Ellman, Jonathan A.","Highly Diastereoselective Functionalization of Piperidines by Photoredox Catalyzed α-Amino C-H Arylation and Epimerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13165","","","1.54184","CuKα","","0.1007","0.0659","","","0.1666","0.1839","","","","","","1.032","","","","has coordinates","251146","2020-10-21","18:00:00",""
"4134796","8.9495","0.0003","9.6147","0.0003","18.2756","0.0005","81.734","0.002","86.081","0.002","75.2","0.003","1503.77","0.08","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C29.5 H29 N5 O10 S -","- C29.5 H29 N5 O10 S -","- C59 H58 N10 O20 S2 -","2","1","","Walker, Morgan M.; Koronkiewicz, Brian; Chen, Shuming; Houk, K. N.; Mayer, James M.; Ellman, Jonathan A.","Highly Diastereoselective Functionalization of Piperidines by Photoredox Catalyzed α-Amino C-H Arylation and Epimerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13165","","","0.71073","MoKα","","0.0361","0.0314","","","0.0813","0.0837","","","","","","1.033","","","","has coordinates,has disorder","251147","2020-10-21","18:00:00",""
"4134797","8.0919","0.0001","21.6444","0.0003","15.449","0.0002","90","","90.114","0.001","90","","2705.8","0.06","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25.5 H32 N4 O9 S -","- C25.5 H32 N4 O9 S -","- C102 H128 N16 O36 S4 -","4","1","","Walker, Morgan M.; Koronkiewicz, Brian; Chen, Shuming; Houk, K. N.; Mayer, James M.; Ellman, Jonathan A.","Highly Diastereoselective Functionalization of Piperidines by Photoredox Catalyzed α-Amino C-H Arylation and Epimerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13165","","","1.54184","CuKα","","0.0612","0.0581","","","0.1486","0.1509","","","","","","1.112","","","","has coordinates,has disorder","251148","2020-10-21","18:00:00",""
"4134798","9.7906","0.0004","17.229","0.0007","18.2219","0.0008","90","","102.724","0.004","90","","2998.2","0.2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N5 O9 S -","- C29 H31 N5 O9 S -","- C116 H124 N20 O36 S4 -","4","1","","Walker, Morgan M.; Koronkiewicz, Brian; Chen, Shuming; Houk, K. N.; Mayer, James M.; Ellman, Jonathan A.","Highly Diastereoselective Functionalization of Piperidines by Photoredox Catalyzed α-Amino C-H Arylation and Epimerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13165","","","0.71073","MoKα","","0.0423","0.0353","","","0.0873","0.0906","","","","","","1.026","","","","has coordinates","251149","2020-10-21","18:00:00",""
"4134799","8.1117","0.0003","19.7564","0.0008","18.3015","0.0009","90","","92.656","0.004","90","","2929.8","0.2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N5 O9 S -","- C29 H31 N5 O9 S -","- C116 H124 N20 O36 S4 -","4","1","","Walker, Morgan M.; Koronkiewicz, Brian; Chen, Shuming; Houk, K. N.; Mayer, James M.; Ellman, Jonathan A.","Highly Diastereoselective Functionalization of Piperidines by Photoredox Catalyzed α-Amino C-H Arylation and Epimerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13165","","","1.54184","CuKα","","0.149","0.091","","","0.2056","0.2395","","","","","","1.051","","","","has coordinates,has disorder","251150","2020-10-21","18:00:00",""
"4134800","16.6583","0.0002","9.9298","0.0001","19.3483","0.0002","90","","90","","90","","3200.47","0.06","108","3","108","3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C168 H152 N8 O16 -","8","1","","Wang, Hao; Gao, Yuzhen; Zhou, Chunlin; Li, Gang","Visible-Light-Driven Reductive Carboarylation of Styrenes with CO<sub>2</sub> and Aryl Halides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03144","","","1.3405","GaKα","","0.0375","0.0355","","","0.0877","0.0891","","","","","","1.038","","","","has coordinates","251152","2020-10-21","18:00:00",""
"4134801","20.9233","0.0005","20.9233","0.0005","26.342","0.0001","90","","90","","90","","11532.1","0.4","100","2","100","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C35 H44 B20 Cu2 N O9 -","- C35 H44 B20 Cu2 N O9 -","- C280 H352 B160 Cu16 N8 O72 -","8","0.5","","Gan, Lei; Chidambaram, Arunraj; Fonquernie, Pol G.; Light, Mark E.; Choquesillo-Lazarte, Duane; Huang, Hongliang; Solano, Eduardo; Fraile, Julio; Viñas, Clara; Teixidor, Francesc; Navarro, Jorge A. R.; Stylianou, Kyriakos C.; Planas, José G.","A Highly Water-Stable meta-Carborane-Based Copper Metal‒Organic Framework for Efficient High-Temperature Butanol Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01008","","x-ray","0.72932","synchrotron","","0.047","0.0456","","","0.1396","0.1413","","","","","","1.066","","","","has coordinates,has disorder","251190","2020-10-21","18:00:00",""
"4134802","11.1897","0.0002","22.9476","0.0004","11.9706","0.0002","90","","97.33","0.002","90","","3048.65","0.09","169.99","0.13","169.99","0.13","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C68 H56 O9 -","- C68 H56 O8 -","- C136 H112 O16 -","2","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.0838","0.0771","","","0.2279","0.2382","","","","","","1.032","","","","has coordinates","251219","2020-10-21","18:00:00",""
"4134803","15.7416","0.0005","18.3691","0.0006","18.8001","0.0006","90","","98.056","0.003","90","","5382.6","0.3","170","0.15","170","0.15","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C69 H58 Cl2 O8 -","- C69 H58 Cl2 O8 -","- C276 H232 Cl8 O32 -","4","0.5","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.139","0.0853","","","0.2261","0.2763","","","","","","1.026","","","","has coordinates,has disorder","251220","2020-10-21","18:00:00",""
"4134804","11.23","0.0002","22.991","0.0006","11.992","0.0003","90","","97.123","0.002","90","","3072.31","0.12","170.01","0.12","170.01","0.12","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C68 H56 O8 -","- C68 H56 O8 -","- C136 H112 O16 -","2","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.086","0.0815","","","0.2363","0.2417","","","","","","1.029","","","","has coordinates","251221","2020-10-21","18:00:00",""
"4134805","22.3783","0.0002","23.7901","0.0002","10.9436","0.0001","90","","100.149","0.001","90","","5735.01","0.09","169.99","0.14","169.99","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H60 Cl4 O8 -","- C70 H60 Cl4 O8 -","- C280 H240 Cl16 O32 -","4","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.1041","0.093","","","0.2568","0.2723","","","","","","1.038","","","","has coordinates","251222","2020-10-21","18:00:00",""
"4134806","11.5052","0.0002","26.1338","0.0004","21.4462","0.0004","90","","105.098","0.002","90","","6225.74","0.19","169.99","0.13","169.99","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H66 F6 N O8 P -","- C75 H66 F6 N O8 P -","- C300 H264 F24 N4 O32 P4 -","4","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.1087","0.0796","","","0.2258","0.2416","","","","","","1.631","","","","has coordinates,has disorder","251223","2020-10-21","18:00:00",""
"4134807","11.5277","0.0003","25.8886","0.0004","21.7575","0.0005","90","","101.989","0.003","90","","6351.6","0.3","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73 H65 F6 N2 O8 P -","- C73 H65 F6 N2 O8 P -","- C292 H260 F24 N8 O32 P4 -","4","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.12","0.0895","","","0.2342","0.2557","","","","","","1.045","","","","has coordinates,has disorder","251224","2020-10-21","18:00:00",""
"4134808","11.8713","0.0002","21.3316","0.0003","24.2532","0.0004","90","","100.206","0.001","90","","6044.55","0.17","169.98","0.16","169.98","0.16","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C77 H77 O8 -","- C77 H77 O8 -","- C308 H308 O32 -","4","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.0928","0.0637","","","0.1768","0.2054","","","","","","1.018","","","","has coordinates,has disorder","251225","2020-10-21","18:00:00",""
"4134809","11.2952","0.0002","16.2834","0.0003","16.3725","0.0002","86.306","0.001","82.719","0.001","75.013","0.002","2883.84","0.09","169.99","0.16","169.99","0.16","","","","","","","","3","P -1","-P 1","2","","","","- C68 H56 O8 -","- C68 H56 O8 -","- C136 H112 O16 -","2","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.1156","0.0818","","","0.2322","0.2676","","","","","","1.046","","","","has coordinates","251226","2020-10-21","18:00:00",""
"4134810","12.1031","0.0002","21.4125","0.0004","25.1008","0.0004","90","","100.874","0.002","90","","6388.26","0.19","169.99","0.13","169.99","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C74 H64 N2 O8 -","- C74 H64 N2 O8 -","- C296 H256 N8 O32 -","4","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.1555","0.1396","","","0.3588","0.368","","","","","","2.663","","","","has coordinates","251227","2020-10-21","18:00:00",""
"4134811","11.7975","0.001","11.833","0.0012","43.114","0.004","90","","90","","90","","6018.7","1","169.99","0.1","169.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C68 H56 O8 -","- C68 H56 O8 -","- C272 H224 O32 -","4","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.2096","0.1407","","","0.3333","0.3811","","","","","","1.06","","","","has coordinates","251228","2020-10-21","18:00:00",""
"4134812","16.138","0.003","11.909","0.002","11.905","0.002","90","","90","0.03","90","","2288","0.7","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H21 Br7 N4 Pb2 -","- C7 H21 Br7 N4 Pb2 -","- C28 H84 Br28 N16 Pb8 -","4","2","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.2444","0.0633","","","0.1319","0.1907","","","","","","0.771","","","","has coordinates","251229","2020-10-21","18:00:00",""
"4134813","8.4615","0.0017","8.465","0.0017","16.004","0.003","90","","89.99","0.03","90","","1146.3","0.4","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C7 H21 Br7 N4 Pb2 -","- C7 H21 Br7 N4 Pb2 -","- C14 H42 Br14 N8 Pb4 -","2","0.5","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.056","0.046","","","0.1138","0.1196","","","","","","1.076","","","","has coordinates,has disorder","251230","2020-10-21","18:00:00",""
"4134814","16.0142","0.0012","8.4185","0.0007","8.4164","0.0006","90","","90.024","0.003","90","","1134.66","0.15","293","2","292.93","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C8 H26 Br7 N4 Pb2 -","- C7 H16 Br7 N3 Pb2 -","- C14 H32 Br14 N6 Pb4 -","2","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.0638","0.0448","","","0.14","0.1565","","","","","","1.065","","","","has coordinates","251231","2020-10-21","18:00:00",""
"4134815","8.4121","0.0008","8.4176","0.0009","15.9228","0.0019","90","","89.983","0.004","90","","1127.5","0.2","293","2","293","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C7 H22 Br7 N4 Pb2 -","- C13 Br7 N Pb2 -","- C26 Br14 N2 Pb4 -","2","0.5","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.0473","0.0443","","","0.1365","0.1419","","","","","","1.104","","","","has coordinates","251232","2020-10-21","18:00:00",""
"4134816","33.433","0.007","8.3738","0.0017","8.376","0.0017","90","","104.45","0.03","90","","2270.8","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H22 Br7 N3 Pb2 -","- C7 H22 Br7 N3 Pb2 -","- C28 H88 Br28 N12 Pb8 -","4","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.1814","0.0795","","","0.1826","0.2385","","","","","","0.929","","","","has coordinates","251233","2020-10-21","18:00:00",""
"4134817","16.193","0.002","8.3678","0.0011","8.3469","0.001","90","","89.921","0.006","90","","1131","0.2","293","2","293.01","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H0.5 Br7 N3 Pb2 -","- C7 H16 Br7 N3 Pb2 -","- C14 H32 Br14 N6 Pb4 -","2","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.0767","0.0576","","","0.169","0.1851","","","","","","1.07","","","","has coordinates","251234","2020-10-21","18:00:00",""
"4134818","16.0382","0.0013","8.4484","0.0007","8.4494","0.0006","90","","89.994","0.0015","90","","1144.87","0.16","298","2","297.98","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H21 Br7 N4 Pb2 -","- C7 H21 Br7 N4 Pb2 -","- C14 H42 Br14 N8 Pb4 -","2","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.0768","0.0505","","","0.1528","0.1757","","","","","","1.048","","","","has coordinates","251235","2020-10-21","18:00:00",""
"4134819","15.952","0.003","8.4134","0.0017","8.4135","0.0017","90","","90.07","0.03","90","","1129.2","0.4","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H22 Br7 N3 Pb2 -","- C7 H22 Br7 N3 Pb2 -","- C14 H44 Br14 N6 Pb4 -","2","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.1276","0.0897","","","0.2695","0.3089","","","","","","1.071","","","","has coordinates","251236","2020-10-21","18:00:00",""
"4134820","33.2368","0.0017","8.3841","0.0005","8.3801","0.0004","90","","104.599","0.002","90","","2259.8","0.2","293","2","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H22 Br7 N3 Pb2 -","- C7 H22 Br7 N3 Pb2 -","- C28 H88 Br28 N12 Pb8 -","4","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.0718","0.0461","","","0.1348","0.1509","","","","","","0.998","","","","has coordinates","251237","2020-10-21","18:00:00",""
"4134821","25.785","0.003","13.9805","0.0017","20.86","0.003","90","","106.277","0.003","90","","7218.4","1.6","99.97","","99.97","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C53.5 H110 O15 Si10 U -","- C53.5 H108 O15 Si10 U -","- C214 H432 O60 Si40 U4 -","4","1","","Assefa, Mikiyas K.; Wu, Guang; Hayton, Trevor W.","Uranyl oxo silylation promoted by silsesquioxane coordination.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00990","","","0.71073","MoKα","","0.1386","0.0785","","","0.1681","0.1943","","","","","","1.02","","","","has coordinates,has disorder","251275","2020-10-21","18:00:00",""
"4134822","19.266","0.004","31.423","0.006","24.877","0.005","90","","92.053","0.003","90","","15051","5","100","2","100.19","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H189 N5 O32 Si14 U3 -","- C102 H169 N5 O32 Si14 U3 -","- C408 H676 N20 O128 Si56 U12 -","4","1","","Assefa, Mikiyas K.; Wu, Guang; Hayton, Trevor W.","Uranyl oxo silylation promoted by silsesquioxane coordination.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00990","","","0.71073","MoKα","","0.1831","0.0943","","","0.2271","0.2844","","","","","","1.009","","","","has coordinates","251275","2020-10-21","18:00:00",""
"4134823","18.9919","0.0014","25.2308","0.0018","21.8579","0.0016","90","","90","","90","","10473.9","1.3","110.04","","110.04","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C84 H154 O24 Si14 U -","- C84 H80 O24 Si14 U -","- C336 H320 O96 Si56 U4 -","4","0.25","","Assefa, Mikiyas K.; Wu, Guang; Hayton, Trevor W.","Uranyl oxo silylation promoted by silsesquioxane coordination.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00990","","","0.71073","MoKα","","0.0949","0.0714","","","0.1784","0.1936","","","","","","1.047","","","","has coordinates,has disorder","251275","2020-10-21","18:00:00",""
"4134824","18.8172","0.0011","28.943","0.002","26.8419","0.0016","90","","103.13","0.003","90","","14236.6","1.6","109.94","","109.94","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C116 H218 Li2 O32 Si14 U -","- C116 H186 Li2 O32 Si14 U -","- C464 H744 Li8 O128 Si56 U4 -","4","1","","Assefa, Mikiyas K.; Wu, Guang; Hayton, Trevor W.","Uranyl oxo silylation promoted by silsesquioxane coordination.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00990","","","0.71073","MoKα","","0.2088","0.1171","","","0.298","0.3534","","","","","","1.021","","","","has coordinates","251275","2020-10-21","18:00:00",""
"4134825","14.417","0.004","15.026","0.004","30.501","0.009","78.946","0.004","77.534","0.003","64.451","0.003","5784","3","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C92.5 H171 Cl Li O26 Si14 U -","- C92.5 H155 Cl Li O26 Si14 U -","- C185 H310 Cl2 Li2 O52 Si28 U2 -","2","1","","Assefa, Mikiyas K.; Wu, Guang; Hayton, Trevor W.","Uranyl oxo silylation promoted by silsesquioxane coordination.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00990","","","0.71073","MoKα","","0.1239","0.0826","","","0.2139","0.2433","","","","","","0.991","","","","has coordinates,has disorder","251275","2020-10-21","18:00:00",""
"4134826","8.65271","","8.65271","","15.0844","","90","","90","","120","","978.054","","","","","","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C4 H8 B N2 O3 Zn2 -","- C4 H8 B N2 O3 Zn2 -","- C24 H48 B6 N12 O18 Zn12 -","6","1","","Cao, Lei; Dai, Pengcheng; Tang, Jing; Li, Dong; Chen, Ruihua; Liu, Dandan; Gu, Xin; Li, Liangjun; Bando, Yoshio; Ok, Yong Sik; Zhao, Xuebo; Yamauchi, Yusuke","Spherical Superstructure of Boron Nitride Nanosheets Derived from Boron-Containing Metal-Organic Frameworks.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01023","","","","","","","","","","","","","","","","","","","","","has coordinates","251276","2020-10-21","18:00:00",""
"4134827","13.1334","0.0001","14.2586","0.0001","31.8035","0.0003","86.195","0.001","83.239","0.001","69.168","0.001","5525.68","0.09","170","2","169.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C52 H36 B Cl8 I N2 O2 -","- C52 H36 B Cl8 I N2 O2 -","- C208 H144 B4 Cl32 I4 N8 O8 -","4","2","","Heinen, Flemming; Engelage, Elric; Cramer, Christopher J.; Huber, Stefan M.","Hypervalent Iodine(III) Compounds as Biaxial Halogen Bond Donors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13309","","x-ray","1.54184","CuKα","","0.0315","0.029","","","0.0741","0.0754","","","","","","1.049","","","","has coordinates","251277","2020-10-21","18:00:00",""
"4134828","9.4757","0.0002","18.517","0.0004","8.3509","0.0002","90","","103.09","0.002","90","","1427.19","0.06","170","2","169.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","o-phenylene-bis(N,N-dimethylpropiolamide)","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","Heinen, Flemming; Engelage, Elric; Cramer, Christopher J.; Huber, Stefan M.","Hypervalent Iodine(III) Compounds as Biaxial Halogen Bond Donors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13309","","x-ray","1.54184","CuKα","","0.0467","0.0409","","","0.1123","0.1166","","","","","","1.065","","","","has coordinates","251278","2020-10-21","18:00:00",""
"4134829","7.7739","0.0017","11.619","0.003","15.966","0.004","90","","96.442","0.008","90","","1433","0.6","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Cr2 Si2 -","- C24 H44 Cr2 Si2 -","- C48 H88 Cr4 Si4 -","2","0.5","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.0502","0.0416","","","0.1103","0.1159","","","","","","1.069","","","","has coordinates","251279","2020-10-21","18:00:00",""
"4134830","20.6422","0.0009","20.6422","0.0009","19.1449","0.0009","90","","90","","120","","7064.7","0.5","173.15","","173.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C42 H79 Cr3 Si3 -","- C42 H79 Cr3 Si3 -","- C252 H474 Cr18 Si18 -","6","0.333333","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.0719","0.0564","","","0.1639","0.1819","","","","","","1.048","","","","has coordinates","251279","2020-10-21","18:00:00",""
"4134831","24.5565","0.0011","11.8827","0.0005","21.1647","0.0009","90","","107.75","0.0015","90","","5881.8","0.4","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H100 Cr4 N2 Si4 -","- C54 H100 Cr4 N2 Si4 -","- C216 H400 Cr16 N8 Si16 -","4","1","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.0895","0.0421","","","0.0882","0.1038","","","","","","1.01","","","","has coordinates,has disorder","251279","2020-10-21","18:00:00",""
"4134832","11.8059","0.0004","20.8085","0.0008","43.452","0.0016","90","","90","","90","","10674.6","0.7","173.15","","173.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C48 H86 Cr4 N2 Si4 -","- C48 H86 Cr4 N2 Si4 -","- C384 H688 Cr32 N16 Si32 -","8","1","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.0601","0.0366","","","0.0789","0.0874","","","","","","1.065","","","","has coordinates","251279","2020-10-21","18:00:00",""
"4134833","28.9967","0.0011","11.1756","0.0004","32.7459","0.0013","90","","94.35","0.001","90","","10580.9","0.7","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H86 Cr4 N2 Si4 -","- C48 H86 Cr4 N2 Si4 -","- C384 H688 Cr32 N16 Si32 -","8","1","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.0604","0.036","","","0.0793","0.0897","","","","","","1.0511","","","","has coordinates","251279","2020-10-21","18:00:00",""
"4134834","24.137","0.0009","11.8989","0.0004","21.1755","0.0008","90","","108.438","0.0013","90","","5769.5","0.4","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H92 Cr4 N2 Si4 -","- C54 H92 Cr4 N2 Si4 -","- C216 H368 Cr16 N8 Si16 -","4","0.5","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.0504","0.0322","","","0.0716","0.0784","","","","","","1.031","","","","has coordinates,has disorder","251279","2020-10-21","18:00:00",""
"4134835","37.955","0.01","10.84","0.003","19.797","0.006","90","","92.239","0.01","90","","8139","4","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H65 Cr3 N2 Si3 -","- C36 H65 Cr3 N2 Si3 -","- C288 H520 Cr24 N16 Si24 -","8","2","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.1054","0.0774","","","0.1883","0.2014","","","","","","1.119","","","","has coordinates,has disorder","251279","2020-10-21","18:00:00",""
"4134836","13.721","0.0003","20.3857","0.0006","8.8553","0.0008","90","","90","","90","","2476.9","0.2","440","","440","","","","","","","","","5","I b a m","-I 2 2c","72","Octanediammonium Tin iodide","","","- C8 H22 I6 N2 Sn2 -","- C8 H22 I6 N2 Sn2 -","- C32 H88 I24 N8 Sn8 -","4","0.25","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Guo, Peijun; Sidhik, Siraj; Kepenekian, Mikaël; Even, Jacky; Mohite, Aditya D.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Water Stable 1D Hybrid Tin(II) Iodide Emits Broad Light with 36% Photoluminescence Quantum Efficiency.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03004","","x-ray","0.71073","MoKα","","0.0662","0.0472","","","0.1194","0.1249","","","","3.22","3.22","2.82","","","","has coordinates","251280","2020-10-21","18:00:00",""
"4134837","21.0227","0.0012","13.4267","0.0008","8.6803","0.0005","90","","108.817","0.0019","90","","2319.2","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Octanediammonium Tin iodide","","","- C8 H22 I6 N2 Sn2 -","- C8 H22 I6 N2 Sn2 -","- C32 H88 I24 N8 Sn8 -","4","0.5","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Guo, Peijun; Sidhik, Siraj; Kepenekian, Mikaël; Even, Jacky; Mohite, Aditya D.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Water Stable 1D Hybrid Tin(II) Iodide Emits Broad Light with 36% Photoluminescence Quantum Efficiency.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03004","","x-ray","0.71073","MoKα","","0.0177","0.0171","","","0.0516","0.0519","","","","1.43","1.43","1.42","","","","has coordinates","251281","2020-10-21","18:00:00",""
"4134838","21.1574","0.0008","13.5267","0.0005","8.75","0.0003","90","","108.89","0.0017","90","","2369.3","0.15","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Octanediammonium Tin iodide","","","- C8 H22 I6 N2 Sn2 -","- C8 H22 I6 N2 Sn2 -","- C32 H88 I24 N8 Sn8 -","4","0.5","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Guo, Peijun; Sidhik, Siraj; Kepenekian, Mikaël; Even, Jacky; Mohite, Aditya D.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Water Stable 1D Hybrid Tin(II) Iodide Emits Broad Light with 36% Photoluminescence Quantum Efficiency.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03004","","x-ray","0.71073","MoKα","","0.038","0.0287","","","0.0718","0.0764","","","","1.4","1.4","1.35","","","","has coordinates","251282","2020-10-21","18:00:00",""
"4134839","12.0899","0.0003","35.279","0.0008","52.6465","0.0012","90","","93.8197","0.0005","90","","22404.9","0.9","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H62.5 Fe N1.5 O P2 S4 Si4 -","- C50 H62.5 Fe N1.5 O P2 S4 Si4 -","- C800 H1000 Fe16 N24 O16 P32 S64 Si64 -","16","4","","Chiang, Chuan-Kuei; Chu, Kai-Ti; Lin, Chia-Chin; Xie, Shi-Rou; Liu, Yu-Chiao; Demeshko, Serhiy; Lee, Gene-Hsiang; Meyer, Franc; Tsai, Ming-Li; Chiang, Ming-Hsi; Lee, Chien-Ming","Photoinduced NO and HNO Production from Mononuclear {FeNO}<sup>6</sup> Complex Bearing a Pendant Thiol.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13837","","","1.54178","CuKα","","0.0734","0.0506","","","0.1271","0.1442","","","","","","1.024","","","","has coordinates","251283","2020-10-21","18:00:00",""
"4134840","11.6404","0.0003","17.7643","0.0005","27.4234","0.0008","90","","99.8809","0.0009","90","","5586.6","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H69 Fe O P2 S4 Si4 -","- C53 H69 Fe O P2 S4 Si4 -","- C212 H276 Fe4 O4 P8 S16 Si16 -","4","1","","Chiang, Chuan-Kuei; Chu, Kai-Ti; Lin, Chia-Chin; Xie, Shi-Rou; Liu, Yu-Chiao; Demeshko, Serhiy; Lee, Gene-Hsiang; Meyer, Franc; Tsai, Ming-Li; Chiang, Ming-Hsi; Lee, Chien-Ming","Photoinduced NO and HNO Production from Mononuclear {FeNO}<sup>6</sup> Complex Bearing a Pendant Thiol.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13837","","","0.71073","MoKα","","0.0833","0.0642","","","0.1405","0.151","","","","","","1.138","","","","has coordinates","251284","2020-10-21","18:00:00",""
"4134841","11.1747","0.0005","17.9172","0.0007","27.6759","0.0012","90","","99.7297","0.0011","90","","5461.5","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H64 Cl2 Fe P2 S4 Si4 -","- C49 H60 Cl2 Fe P2 S4 Si4 -","- C196 H240 Cl8 Fe4 P8 S16 Si16 -","4","1","","Chiang, Chuan-Kuei; Chu, Kai-Ti; Lin, Chia-Chin; Xie, Shi-Rou; Liu, Yu-Chiao; Demeshko, Serhiy; Lee, Gene-Hsiang; Meyer, Franc; Tsai, Ming-Li; Chiang, Ming-Hsi; Lee, Chien-Ming","Photoinduced NO and HNO Production from Mononuclear {FeNO}<sup>6</sup> Complex Bearing a Pendant Thiol.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13837","","","0.71073","MoKα","","0.0603","0.0466","","","0.1147","0.1257","","","","","","1.055","","","","has coordinates,has disorder","251285","2020-10-21","18:00:00",""
"4134842","27.3961","0.0004","17.5818","0.0002","28.1908","0.0004","90","","90","","90","","13578.7","0.3","200","2","200","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C65 H71 Mn N2 O2 P3 S3 Si3 -","- C65 H71 Mn N2 O2 P3 S3 Si3 -","- C520 H568 Mn8 N16 O16 P24 S24 Si24 -","8","1","","Chiang, Chuan-Kuei; Chu, Kai-Ti; Lin, Chia-Chin; Xie, Shi-Rou; Liu, Yu-Chiao; Demeshko, Serhiy; Lee, Gene-Hsiang; Meyer, Franc; Tsai, Ming-Li; Chiang, Ming-Hsi; Lee, Chien-Ming","Photoinduced NO and HNO Production from Mononuclear {FeNO}<sup>6</sup> Complex Bearing a Pendant Thiol.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13837","","","1.54178","CuKα","","0.0448","0.041","","","0.1217","0.1272","","","","","","1.034","","","","has coordinates,has disorder","251286","2020-10-21","18:00:00",""
"4134843","11.2716","0.0003","14.8244","0.0004","19.6616","0.0006","90","","90.5417","0.0009","90","","3285.2","0.16","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Mn N O P S3 Si3 -","- C27 H36 Mn N O P S3 Si3 -","- C108 H144 Mn4 N4 O4 P4 S12 Si12 -","4","1","","Chiang, Chuan-Kuei; Chu, Kai-Ti; Lin, Chia-Chin; Xie, Shi-Rou; Liu, Yu-Chiao; Demeshko, Serhiy; Lee, Gene-Hsiang; Meyer, Franc; Tsai, Ming-Li; Chiang, Ming-Hsi; Lee, Chien-Ming","Photoinduced NO and HNO Production from Mononuclear {FeNO}<sup>6</sup> Complex Bearing a Pendant Thiol.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13837","","","0.71073","MoKα","","0.0404","0.0306","","","0.0747","0.0823","","","","","","1.054","","","","has coordinates","251287","2020-10-21","18:00:00",""
"4134844","11.6493","0.0003","18.6748","0.0005","27.5515","0.0008","90","","93.9162","0.0007","90","","5979.8","0.3","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C50 H63 Cl4 Fe N O P2 S4 Si4 -","- C50 H63 Cl4 Fe N O P2 S4 Si4 -","- C200 H252 Cl16 Fe4 N4 O4 P8 S16 Si16 -","4","1","","Chiang, Chuan-Kuei; Chu, Kai-Ti; Lin, Chia-Chin; Xie, Shi-Rou; Liu, Yu-Chiao; Demeshko, Serhiy; Lee, Gene-Hsiang; Meyer, Franc; Tsai, Ming-Li; Chiang, Ming-Hsi; Lee, Chien-Ming","Photoinduced NO and HNO Production from Mononuclear {FeNO}<sup>6</sup> Complex Bearing a Pendant Thiol.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13837","","","0.71073","MoKα","","0.0815","0.0694","","","0.1865","0.196","","","","","","1.068","","","","has coordinates,has disorder","251288","2020-10-21","18:00:00",""
"4134845","6.1878","0.0004","14.9676","0.0014","17.511","0.002","90","","90","","90","","1621.8","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","The Total Synthesis of (-)-Scabrolide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02513","","","1.54178","CuKα","","0.0369","0.0353","","","0.0889","0.0906","","","","","","1.048","","","","has coordinates","251312","2020-10-21","18:00:00",""
"4134846","9.0245","0.0013","13.383","0.002","16.329","0.003","90","","90","","90","","1972.1","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 O9 -","- C19 H32 O9 -","- C76 H128 O36 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","The Total Synthesis of (-)-Scabrolide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02513","","","1.54178","CuKα","","0.0315","0.0314","","","0.0874","0.0875","","","","","","1.087","","","","has coordinates","251313","2020-10-21","18:00:00",""
"4134847","6.9085","0.0014","10.3765","0.0019","17.058","0.003","90","","90.92","0.007","90","","1222.7","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H34 O4 Si -","- C27 H34 O4 Si -","- C54 H68 O8 Si2 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","The Total Synthesis of (-)-Scabrolide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02513","","","0.71073","MoKα","","0.0511","0.0401","","","0.0827","0.0865","","","","","","1.035","","","","has coordinates","251314","2020-10-21","18:00:00",""
"4134848","10.221","0.003","12.581","0.003","13.333","0.004","90","","90","","90","","1714.5","0.8","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 -","- C19 H26 O6 -","- C76 H104 O24 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","The Total Synthesis of (-)-Scabrolide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02513","","","0.71073","MoKα","","0.0592","0.0424","","","0.0942","0.1007","","","","","","1.069","","","","has coordinates","251315","2020-10-21","18:00:00",""
"4134849","13.3703","0.0002","6.6693","0.0001","8.8119","0.0001","90","","103.953","0.001","90","","762.577","0.019","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 -","- C20 H22 -","- C40 H44 -","2","0.5","","Zhang, Sheng; Bedi, Deepika; Cheng, L. U.; Unruh, Daniel K.; Li, Guigen; Findlater, Michael","Cobalt (II)-Catalyzed Stereoselective Olefin Isomerization: Facile Access to Acyclic Trisubstituted Alkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02101","","x-ray","1.54178","CuKα","","0.0455","0.043","","","0.123","0.1259","","","","","","1.047","","","","has coordinates","251316","2020-10-21","18:00:00",""
"4134850","7.4","0.004","9.556","0.004","13.814","0.008","104.002","0.018","101.714","0.019","100.72","0.02","899.2","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Cl3 N2 O3 S -","- C15 H17 Cl3 N2 O3 S -","- C30 H34 Cl6 N4 O6 S2 -","2","1","","Estrada, Jesús G; Williams, Wendy L.; Ting, Stephen I.; Doyle, Abigail G.","Role of Electron-Deficient Olefin Ligands in a Ni-Catalyzed Aziridine Cross-Coupling To Generate Quaternary Carbons.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02237","","","0.71073","MoKα","","0.0533","0.0377","","","0.0956","0.1065","","","","","","1.092","","","","has coordinates","251317","2020-10-21","18:00:00",""
"4134851","18.0821","0.0011","24.2024","0.0015","24.6475","0.0014","90","","110.073","0.004","90","","10131.3","1.1","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C124 H82 Cl6 -","- C124 H82 Cl6 -","- C496 H328 Cl24 -","4","1","","Schaub, Tobias A.; Prantl, Ephraim A.; Kohn, Julia; Bursch, Markus; Marshall, Checkers R.; Leonhardt, Erik James; Lovell, Terri C.; Zakharov, Lev N.; Brozek, Carl K.; Waldvogel, Siegfried R.; Grimme, Stefan; Jasti, Ramesh","Exploration of the Solid-State Sorption Properties of Shape-persistent Macrocyclic Nanocarbons as Bulk Materials and Small Aggregates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01117","","","1.54178","CuKα","","0.1996","0.1187","","","0.3055","0.347","","","","","","1.044","","","","has coordinates","251318","2020-10-21","18:00:00",""
"4134852","20.902","0.0008","20.9356","0.0008","22.3508","0.0008","71.185","0.002","88.023","0.002","83.811","0.002","9204","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C101.83 H64.83 Cl14.48 -","- C98.8265 H61.8265 Cl5.4795 -","- C395.306 H247.306 Cl21.918 -","4","2","","Schaub, Tobias A.; Prantl, Ephraim A.; Kohn, Julia; Bursch, Markus; Marshall, Checkers R.; Leonhardt, Erik James; Lovell, Terri C.; Zakharov, Lev N.; Brozek, Carl K.; Waldvogel, Siegfried R.; Grimme, Stefan; Jasti, Ramesh","Exploration of the Solid-State Sorption Properties of Shape-persistent Macrocyclic Nanocarbons as Bulk Materials and Small Aggregates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01117","","","1.54178","CuKα","","0.1247","0.1065","","","0.3295","0.3545","","","","","","1.044","","","","has coordinates","251319","2020-10-21","18:00:00",""
"4134853","38.384","0.003","15.8148","0.0013","32.575","0.003","90","","93.97","0.005","90","","19727","3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C123 H116 N4 O7.5 -","- C113 H96 N4 O5 -","- C904 H768 N32 O40 -","8","1","","Schaub, Tobias A.; Prantl, Ephraim A.; Kohn, Julia; Bursch, Markus; Marshall, Checkers R.; Leonhardt, Erik James; Lovell, Terri C.; Zakharov, Lev N.; Brozek, Carl K.; Waldvogel, Siegfried R.; Grimme, Stefan; Jasti, Ramesh","Exploration of the Solid-State Sorption Properties of Shape-persistent Macrocyclic Nanocarbons as Bulk Materials and Small Aggregates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01117","","","1.54178","CuKα","","0.1416","0.0876","","","0.2435","0.2743","","","","","","1.005","","","","has coordinates","251320","2020-10-21","18:00:00",""
"4134854","24.943","0.005","25.029","0.005","48.678","0.01","90","","90","","90","","30390","11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C168 H277 N72 Pd12 -","- C168 H277 N72 Pd12 -","- C672 H1108 N288 Pd48 -","4","1","","Howlader, Prodip; Zangrando, Ennio; Mukherjee, Partha Sarathi","Self-Assembly of Enantiopure Pd12 Tetrahedral Homochiral Nano-Cages with Tetrazole Linkers and Chiral Recognition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03551","","","0.7","synchrotron","","0.0732","0.0456","","","0.1106","0.1196","","","","","","0.928","","","","has coordinates","251364","2020-10-21","18:00:00",""
"4134855","14.765","0.005","16.931","0.003","22.655","0.003","90","","90","","90","","5663","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H36 Cu N -","- C37 H36 Cu N -","- C296 H288 Cu8 N8 -","8","1","","Gernert, Markus; Balles-Wolf, Lukas; Kerner, Florian; M Uuml Ller, Ulrich; Schmiedel, Alexander; Holzapfel, Marco; Marian, Christel M.; Pflaum, Jens; Lambert, Christoph; Steffen, Andreas","Cyclic (amino)(aryl)carbenes (CAArCs) enter the field of chromophore ligands - Expanded π system leads to unusually deep red emitting Cu<sup>I</sup> compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02234","","","0.71073","MoKα","","0.0399","0.0303","","","0.0805","0.0859","","","","","","1.035","","","","has coordinates","251365","2020-10-21","18:00:00",""
"4134856","11.549","0.002","14.169","0.007","21.429","0.004","73.816","0.01","89.477","0.015","88.83","0.03","3366.9","1.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 Cu N -","- C42 H46 Cu N -","- C168 H184 Cu4 N4 -","4","2","","Gernert, Markus; Balles-Wolf, Lukas; Kerner, Florian; M Uuml Ller, Ulrich; Schmiedel, Alexander; Holzapfel, Marco; Marian, Christel M.; Pflaum, Jens; Lambert, Christoph; Steffen, Andreas","Cyclic (amino)(aryl)carbenes (CAArCs) enter the field of chromophore ligands - Expanded π system leads to unusually deep red emitting Cu<sup>I</sup> compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02234","","","0.71073","MoKα","","0.0644","0.0452","","","0.1065","0.1185","","","","","","1.051","","","","has coordinates","251366","2020-10-21","18:00:00",""
"4134857","23.615","0.011","10.033","0.003","14.816","0.003","90","","90","","90","","3510","2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H46 Cu N O3 -","- C41 H46 Cu N O3 -","- C164 H184 Cu4 N4 O12 -","4","1","","Gernert, Markus; Balles-Wolf, Lukas; Kerner, Florian; M Uuml Ller, Ulrich; Schmiedel, Alexander; Holzapfel, Marco; Marian, Christel M.; Pflaum, Jens; Lambert, Christoph; Steffen, Andreas","Cyclic (amino)(aryl)carbenes (CAArCs) enter the field of chromophore ligands - Expanded π system leads to unusually deep red emitting Cu<sup>I</sup> compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02234","","","0.71073","MoKα","","0.0455","0.0372","","","0.0843","0.088","","","","","","1.049","","","","has coordinates","251367","2020-10-21","18:00:00",""
"4134858","14.836","0.005","12.399","0.005","18.325","0.008","90","","98.24","0.02","90","","3336","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H39 Cu N2 -","- C44 H39 Cu N2 -","- C176 H156 Cu4 N8 -","4","1","","Gernert, Markus; Balles-Wolf, Lukas; Kerner, Florian; M Uuml Ller, Ulrich; Schmiedel, Alexander; Holzapfel, Marco; Marian, Christel M.; Pflaum, Jens; Lambert, Christoph; Steffen, Andreas","Cyclic (amino)(aryl)carbenes (CAArCs) enter the field of chromophore ligands - Expanded π system leads to unusually deep red emitting Cu<sup>I</sup> compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02234","","","0.71073","MoKα","","0.0554","0.0413","","","0.105","0.1131","","","","","","1.036","","","","has coordinates","251368","2020-10-21","18:00:00",""
"4134859","10.565","0.007","10.704","0.006","12.752","0.007","92.177","0.01","95.452","0.01","116.018","0.018","1285","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H31 Br Cu N -","- C32 H31 Br Cu N -","- C64 H62 Br2 Cu2 N2 -","2","1","","Gernert, Markus; Balles-Wolf, Lukas; Kerner, Florian; M Uuml Ller, Ulrich; Schmiedel, Alexander; Holzapfel, Marco; Marian, Christel M.; Pflaum, Jens; Lambert, Christoph; Steffen, Andreas","Cyclic (amino)(aryl)carbenes (CAArCs) enter the field of chromophore ligands - Expanded π system leads to unusually deep red emitting Cu<sup>I</sup> compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02234","","","0.71073","MoKα","","0.0611","0.0391","","","0.0926","0.1017","","","","","","1.03","","","","has coordinates","251369","2020-10-21","18:00:00",""
"4134860","9.793","0.005","10.8202","0.0016","18.064","0.003","97.741","0.011","97.949","0.007","105.42","0.03","1797.8","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H42 Cu N O2 -","- C47 H42 Cu N O2 -","- C94 H84 Cu2 N2 O4 -","2","1","","Gernert, Markus; Balles-Wolf, Lukas; Kerner, Florian; M Uuml Ller, Ulrich; Schmiedel, Alexander; Holzapfel, Marco; Marian, Christel M.; Pflaum, Jens; Lambert, Christoph; Steffen, Andreas","Cyclic (amino)(aryl)carbenes (CAArCs) enter the field of chromophore ligands - Expanded π system leads to unusually deep red emitting Cu<sup>I</sup> compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02234","","","0.71073","MoKα","","0.0456","0.0342","","","0.0789","0.0839","","","","","","1.027","","","","has coordinates","251370","2020-10-21","18:00:00",""
"4134861","12.0826","0.0002","11.9195","0.0002","16.5709","0.0003","90","","90","","90","","2386.52","0.07","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","Mn156Si36Nx","","","- Mn38.869 N0.841 Si9.131 -","- Mn38.869 N0.84 Si9.131 -","- Mn155.476 N3.36 Si36.524 -","4","0.5","","Peterson, Gordon G. C.; Berns, Veronica M.; Fredrickson, Daniel C.","Mn39Si9Nx: Epitaxial Stabilization as a Pathway to the Formation of Intermetallic Nitrides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01716","","x-ray","0.71073","MoKα","","0.0839","0.0311","","","0.0569","0.0798","","","","0.96","0.96","1","","","","has coordinates","251371","2020-10-21","18:00:00",""
"4134862","19.8814","0.0014","5.9438","0.0004","21.4591","0.0015","90","","90","","90","","2535.8","0.3","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","wcp-8-165","","- C15 H18 O4 -","- C15 H18 O4 -","- C120 H144 O32 -","8","2","","Wang, Chengpeng; Naren, Nevin A.; Zheng, Pengfei; Dong, Guangbin","Intramolecular β-Alkenylation of Cyclohexanones via Pd-Catalyzed Desaturation-Mediated C(sp3)-H/Alkyne Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02654","","","0.71073","MoKα","","0.1168","0.0779","","","0.1224","0.1333","","","","","","1.164","","","","has coordinates","251372","2020-10-21","18:00:00",""
"4134863","7.604","0.0004","20.0492","0.0008","12.5383","0.0006","90","","97.511","0.001","90","","1895.11","0.15","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N4 O5 -","- C21 H20 N4 O5 -","- C84 H80 N16 O20 -","4","1","","Wang, Chengpeng; Naren, Nevin A.; Zheng, Pengfei; Dong, Guangbin","Intramolecular β-Alkenylation of Cyclohexanones via Pd-Catalyzed Desaturation-Mediated C(sp3)-H/Alkyne Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02654","","x-ray","0.71073","MoKα","","0.0782","0.0485","","","0.1082","0.1197","","","","","","1.025","","","","has coordinates","251373","2020-10-21","18:00:00",""
"4134864","12.714","0.003","7.5056","0.0016","13.686","0.003","90","","90.064","0.007","90","","1306","0.5","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Hwang, Yeongyu; Jung, Hoimin; Lee, Euijae; Kim, Dongwook; Chang, Sukbok","Quantitative Analysis on Two-Point Ligand Modulation of Iridium Catalysts for Chemodivergent C-H Amidation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02079","","","0.71073","MoKα","","0.1041","0.0784","","","0.1392","0.1483","","","","","","1.115","","","","has coordinates","251374","2020-10-21","18:00:00",""
"4134865","6.159","0.0012","8.188","0.0016","18.031","0.004","98.91","0.03","91.7","0.03","105.15","0.03","864.8","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cl Ir N2 O3 -","- C18 H18 Cl Ir N2 O3 -","- C36 H36 Cl2 Ir2 N4 O6 -","2","1","","Hwang, Yeongyu; Jung, Hoimin; Lee, Euijae; Kim, Dongwook; Chang, Sukbok","Quantitative Analysis on Two-Point Ligand Modulation of Iridium Catalysts for Chemodivergent C-H Amidation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02079","","","0.65","synchrotron","","0.0342","0.0329","","","0.0888","0.0894","","","","","","1.13","","","","has coordinates","251375","2020-10-21","18:00:00",""
"4134866","16.063","0.003","9.074","0.0018","24.195","0.005","90","","90","","90","","3526.6","1.2","223","2","223","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H11 N O -","- C11 H11 N O -","- C176 H176 N16 O16 -","16","4","","Hwang, Yeongyu; Jung, Hoimin; Lee, Euijae; Kim, Dongwook; Chang, Sukbok","Quantitative Analysis on Two-Point Ligand Modulation of Iridium Catalysts for Chemodivergent C-H Amidation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02079","","","0.8","synchrotron","","0.1087","0.0598","","","0.1241","0.1464","","","","","","0.988","","","","has coordinates,has disorder","251376","2020-10-21","18:00:00",""
"4134867","7.571","0.0015","14.723","0.003","23.143","0.005","90","","90","","90","","2579.7","0.9","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 Cl I2 Ir N O -","- C24 H29 Cl I2 Ir N O -","- C96 H116 Cl4 I8 Ir4 N4 O4 -","4","1","","Hwang, Yeongyu; Jung, Hoimin; Lee, Euijae; Kim, Dongwook; Chang, Sukbok","Quantitative Analysis on Two-Point Ligand Modulation of Iridium Catalysts for Chemodivergent C-H Amidation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02079","","","0.65","synchrotron","","0.0233","0.0214","","","0.0509","0.0514","","","","","","1.006","","","","has coordinates","251377","2020-10-21","18:00:00",""
"4134868","20.4511","0.0003","20.4511","0.0003","25.0437","0.0007","90","","90","","120","","9071.2","0.3","253","2","253","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C64 H128 La4 N32 O80 Rb4 -","- C68 H40 La4 N28 O79.9992 Rb4 -","- C204 H120 La12 N84 O239.998 Rb12 -","3","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0923","0.0878","","","0.1714","0.1732","","","","","","1.144","","","","has coordinates,has disorder","252617","2020-10-21","18:00:00",""
"4134869","14.502","","14.502","","14.502","","90","","90","","90","","3049.89","","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C16 H34 La N8 O20 Rb -","- C17 H13.9999 La N7 O19.9998 Rb -","- C68 H55.9996 La4 N28 O79.9992 Rb4 -","4","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0604","0.0537","","","0.1398","0.1426","","","","","","1.231","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134870","14.549","","14.549","","14.549","","90","","90","","90","","3079.64","","350","2","350","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C16 H34 La N8 O20 Rb -","- C17 H13.9999 La N7 O19.9998 Rb -","- C68 H55.9996 La4 N28 O79.9992 Rb4 -","4","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0616","0.0535","","","0.1382","0.1417","","","","","","1.107","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134871","20.5225","0.0005","20.5225","0.0005","25.052","0.0007","90","","90","","120","","9137.6","0.4","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C64 H128 La4 N33.33 O80 -","- C68 H40 La4 N32 O79.9992 -","- C204 H120 La12 N96 O239.998 -","3","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0789","0.0729","","","0.1843","0.1867","","","","","","1.583","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134872","14.5479","0.0001","14.5479","0.0001","14.5479","0.0001","90","","90","","90","","3078.94","0.04","353","2","353","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C16 H36 La N9 O20 -","- C14 H13 La N8 O19.9998 -","- C56 H52 La4 N32 O79.9992 -","4","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0558","0.0489","","","0.1298","0.1355","","","","","","1.088","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134873","11.3777","0.0002","6.86536","0.0001","11.42344","0.00018","90","","104.831","0.0017","90","","862.58","0.02","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H19 Br Cl F2 N O -","- C17 H19 Br Cl F2 N O -","- C34 H38 Br2 Cl2 F4 N2 O2 -","2","1","","Miller, Edward; Kim, Suhong; Gibson, Katarina; Derrick, Jeffrey S.; Toste, F. Dean","Regio- and Enantioselective Bromocyclization of Difluoroalkenes as a Strategy to Access Tetrasubstituted Difluoromethylene-Containing Stereocenters.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02331","","x-ray","1.54184","CuKα","","0.0545","0.0531","","","0.1528","0.1551","","","","","","1.168","","","","has coordinates","251379","2020-10-21","18:00:00",""
"4134874","18.0955","0.0002","18.0955","0.0002","10.6307","0.0001","90","","90","","120","","3014.63","0.05","100","2","100","2","","","","","","","","7","P 62","P 62","171","","","","- C14 H12 Br Cl F2 N4 O3 -","- C20 H20 Br Cl F2 N O1.77 -","- C120 H120 Br6 Cl6 F12 N6 O10.62 -","6","1","","Miller, Edward; Kim, Suhong; Gibson, Katarina; Derrick, Jeffrey S.; Toste, F. Dean","Regio- and Enantioselective Bromocyclization of Difluoroalkenes as a Strategy to Access Tetrasubstituted Difluoromethylene-Containing Stereocenters.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02331","","x-ray","1.54184","CuKα","","0.1111","0.1093","","","0.356","0.3658","","","","","","1.85","","","","has coordinates,has disorder","251380","2020-10-21","18:00:00",""
"4134875","8.5167","0.0002","18.5743","0.0004","13.0021","0.0002","90","","105.163","0.001","90","","1985.22","0.07","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O8 -","- C19 H29 N O8 -","- C76 H116 N4 O32 -","4","2","","McClymont, Kyle S.; Wang, Feng-Yuan; Minakar, Amin; Baran, Phil S.","Total Synthesis of (-)-Maximiscin.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03202","","x-ray","1.54178","CuKα","","0.0255","0.0253","","","0.0683","0.0685","","","","","","1.053","","","","has coordinates","251409","2020-10-21","18:00:00",""
"4134876","11.707","0.002","19.744","0.004","11.109","0.002","90","","117.839","0.004","90","","2270.6","0.7","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 N3 O2 Pt -","- C25 H31 N3 O2 Pt -","- C100 H124 N12 O8 Pt4 -","4","1","","McClymont, Kyle S.; Wang, Feng-Yuan; Minakar, Amin; Baran, Phil S.","Total Synthesis of (-)-Maximiscin.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03202","","x-ray","0.71073","MoKα","","0.0552","0.0361","","","0.06","0.0643","","","","","","1.054","","","","has coordinates","251410","2020-10-21","18:00:00",""
"4134877","9.3492","0.0001","9.3492","0.0001","13.5555","0.0002","90","","90","","120","","1026.11","0.02","100","","100","","","","","","","","","3","P 31","P 31","144","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C39 H60 O12 -","3","1","","McClymont, Kyle S.; Wang, Feng-Yuan; Minakar, Amin; Baran, Phil S.","Total Synthesis of (-)-Maximiscin.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03202","","","1.54178","CuKα","","0.0256","0.0253","","","0.0665","0.067","","","","","","1.065","","","","has coordinates","251411","2020-10-21","18:00:00",""
"4134878","9.8361","0.0002","21.0549","0.0004","13.1959","0.0002","90","","97.5578","0.0009","90","","2709.1","0.09","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H32 B N O4 -","- C30 H32 B N O4 -","- C120 H128 B4 N4 O16 -","4","2","","Li, Xiangyu; Hall, Dennis G.","Stereodivergent Asymmetric Synthesis of α,β-Disubstituted β-Aminoalkylboronic Acid Derivatives via Group-Selective Protodeboronation Enabling Access to the Elusive Anti Isomer.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03207","","","1.54178","CuKα","","0.0623","0.059","","","0.1706","0.176","","","","","","1.04","","","","has coordinates,has disorder","251503","2020-10-21","18:00:00",""
"4134879","12.652","0.006","17.037","0.01","16.19","0.009","90","","112.834","0.011","90","","3216","3","338","2","338","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 D2 F12 N6 O8 S4 -","- C16 H24 D2 F12 N6 O8 S4 -","- C64 H96 D8 F48 N24 O32 S16 -","4","1","","Song, Xian-Jiang; Zhang, Zhi-Xu; Chen, Xiao-Gang; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Bistable State of Protons for Low-Voltage Memories.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02924","","","0.71073","MoKα","","0.194","0.1479","","","0.4149","0.4492","","","","","","1.161","","","","has coordinates","251504","2020-10-21","18:00:00",""
"4134880","12.606","0.004","16.924","0.005","16.08","0.005","90","","112.775","0.005","90","","3163.1","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 F12 N6 O8 S4 -","- C16 H26 F12 N6 O8 S4 -","- C64 H104 F48 N24 O32 S16 -","4","1","","Song, Xian-Jiang; Zhang, Zhi-Xu; Chen, Xiao-Gang; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Bistable State of Protons for Low-Voltage Memories.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02924","","","0.71073","MoKα","","0.098","0.0798","","","0.1763","0.1868","","","","","","1.069","","","","has coordinates","251505","2020-10-21","18:00:00",""
"4134881","12.5","0.005","16.911","0.007","15.921","0.007","90","","112.905","0.005","90","","3100","2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H13 F6 N3 O4 S2 -","- C8 H13 F6 N3 O4 S2 -","- C64 H104 F48 N24 O32 S16 -","8","4","","Song, Xian-Jiang; Zhang, Zhi-Xu; Chen, Xiao-Gang; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Bistable State of Protons for Low-Voltage Memories.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02924","","","0.71073","MoKα","","0.0739","0.0646","","","0.1597","0.1669","","","","","","1.042","","","","has coordinates","251506","2020-10-21","18:00:00",""
"4134882","12.542","0.004","16.952","0.006","15.994","0.005","90","","113.037","0.004","90","","3129.3","1.8","243","2","243","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C8 H12 D F6 N3 O4 S2 -","- C8 H12 D F6 N3 O4 S2 -","- C64 H96 D8 F48 N24 O32 S16 -","8","4","","Song, Xian-Jiang; Zhang, Zhi-Xu; Chen, Xiao-Gang; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Bistable State of Protons for Low-Voltage Memories.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02924","","","0.71073","MoKα","","0.1411","0.091","","","0.2375","0.2689","","","","","","0.917","","","","has coordinates","251507","2020-10-21","18:00:00",""
"4134883","31.9312","0.0017","11.0163","0.0006","15.5333","0.001","90","","97.144","0.002","90","","5421.6","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H45 Al Br N O Si2 -","- C23 H45 Al Br N O Si2 -","- C184 H360 Al8 Br8 N8 O8 Si16 -","8","1","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.0895","0.0529","","","0.1057","0.1185","","","","","","1.053","","","","has coordinates","251754","2020-10-21","18:00:00",""
"4134884","11.3322","0.001","15.847","0.0014","16.6312","0.0015","88.823","0.002","71.777","0.002","73.126","0.002","2706.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H81 Al K N O8 Si2 -","- C53 H81 Al K N O8 Si2 -","- C106 H162 Al2 K2 N2 O16 Si4 -","2","1","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.1871","0.0641","","","0.0548","0.0686","","","","","","1.057","","","","has coordinates,has disorder","251755","2020-10-21","18:00:00",""
"4134885","12.1403","0.0006","12.5843","0.0007","16.9735","0.0008","82.54","0.002","77.864","0.002","63.527","0.002","2267.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.5 H74 Al2 N2 Si4 -","- C41.5 H74 Al2 N2 Si4 -","- C83 H148 Al4 N4 Si8 -","2","1","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.0951","0.0459","","","0.0847","0.0986","","","","","","0.997","","","","has coordinates,has disorder","251756","2020-10-21","18:00:00",""
"4134886","15.8845","0.0006","19.0232","0.0007","28.713","0.0012","90","","90","","90","","8676.3","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H70 Al K N2 O8 Si2 -","- C35 H70 Al K N2 O8 Si2 -","- C280 H560 Al8 K8 N16 O64 Si16 -","8","2","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.098","0.0691","","","0.1712","0.1875","","","","","","1.043","","","","has coordinates,has disorder","251757","2020-10-21","18:00:00",""
"4134887","12.363","0.008","17.201","0.011","21.419","0.011","90","","90","","90","","4555","5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H73 Al B2 K N O8 Si2 -","- C35 H73 Al B2 K N O8 Si2 -","- C140 H292 Al4 B8 K4 N4 O32 Si8 -","4","1","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.0904","0.0537","","","0.0983","0.1109","","","","","","1.002","","","","has coordinates,has disorder","251758","2020-10-21","18:00:00",""
"4134888","13.286","0.011","13.384","0.011","14.255","0.012","93.101","0.018","97.062","0.015","91.57","0.03","2510","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H74 Al K N O8 Si3 -","- C41 H75 Al K N O8 Si3 -","- C82 H150 Al2 K2 N2 O16 Si6 -","2","1","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.1794","0.0666","","","0.0895","0.1175","","","","","","1","","","","has coordinates,has disorder","251759","2020-10-21","18:00:00",""
"4134889","11.3793","0.0006","13.5186","0.0005","27.8039","0.0014","90","","98.587","0.002","90","","4229.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H67 Al K N O8 Si2 -","- C35 H67 Al K N O8 Si2 -","- C140 H268 Al4 K4 N4 O32 Si8 -","4","1","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.1381","0.058","","","0.1056","0.1331","","","","","","1.004","","","","has coordinates,has disorder","251760","2020-10-21","18:00:00",""
"4134890","8.0268","0.0002","23.535","0.0006","16.7335","0.0005","90","","97.682","0.003","90","","3132.77","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 Bi N2 O10 -","- C32 H30 Bi N2 O10 -","- C128 H120 Bi4 N8 O40 -","4","1","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","","0.71073","MoKα","","0.0838","0.0491","","","0.0964","0.113","","","","","","1.058","","","","has coordinates","251761","2020-10-21","18:00:00",""
"4134891","7.9251","0.0009","12.738","0.0014","16.6928","0.0019","74.195","0.003","86.514","0.003","82.047","0.003","1605.4","0.3","206","2","206","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H31 Cu N2 O10 -","- C32 H31 Cu N2 O10 -","- C64 H62 Cu2 N4 O20 -","2","1","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","","0.71073","MoKα","","0.0895","0.0773","","","0.2033","0.2086","","","","","","1.18","","","","has coordinates,has disorder","251762","2020-10-21","18:00:00",""
"4134892","16.696","0.004","21.624","0.005","16.696","0.004","90","","120","","90","","5220","2","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C120 H112 Fe4 N4 O24 -","- C120 H112 Fe4 N4 O24 -","- C240 H224 Fe8 N8 O48 -","2","1","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","","0.71073","MoKα","","0.2383","0.1765","","","0.3935","0.4497","","","","","","1.285","","","","has coordinates","251763","2020-10-21","18:00:00",""
"4134893","29.1139","0.0009","16.3925","0.0005","11.4361","0.0003","90","","99.919","0.002","90","","5376.3","0.3","100.01","0.17","100.01","0.17","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H44 N2 O14 Zn2 -","- C52 H44 N2 O14 Zn2 -","- C208 H176 N8 O56 Zn8 -","4","0.5","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","x-ray","1.54184","CuKα","","0.0483","0.0463","","","0.1532","0.156","","","","","","1.144","","","","has coordinates,has disorder","251764","2020-10-21","18:00:00",""
"4134894","12.8598","0.0008","29.261","0.0014","13.8247","0.0007","90","","103.98","0.006","90","","5048","0.5","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C26 H20 Cu N O6 -","- C26 H20 Cu N O6 -","- C208 H160 Cu8 N8 O48 -","8","1","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","","1.54184","CuKα","","0.1225","0.1199","","","0.3179","0.3203","","","","","","1.09","","","","has coordinates","251765","2020-10-21","18:00:00",""
"4134895","29.1661","0.0014","16.1141","0.0007","13.9552","0.0006","90","","98.847","0.001","90","","6480.7","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C64 H58 Fe4 N4 O20 -","- C64 H58 Fe4 N4 O20 -","- C256 H232 Fe16 N16 O80 -","4","1","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","","0.71073","MoKα","","0.0626","0.0416","","","0.0966","0.1051","","","","","","1.075","","","","has coordinates","251766","2020-10-21","18:00:00",""
"4134896","29.075","0.006","16.016","0.004","13.826","0.003","90","","98.39","0.005","90","","6369","2","297","2","297","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C64 H58 Co4 N4 O20 -","- C64 H58 Co4 N4 O20 -","- C256 H232 Co16 N16 O80 -","4","1","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","","0.71073","MoKα","","0.2717","0.1667","","","0.3598","0.4025","","","","","","1.107","","","","has coordinates","251767","2020-10-21","18:00:00",""
"4134897","16.5927","0.0019","16.5927","0.0019","22.318","0.005","90","","90","","90","","6144.5","1.7","100","2","100","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C12 H6 N1.5 O2 Pd0.25 Zn0.5 -","- C12 H6 N1.5 O2 Pd0.25 Zn0.5 -","- C48 H24 N6 O8 Pd Zn2 -","4","0.25","","Danowski, Wojciech; Castiglioni, Fabio; Sardjan, Andy; Krause, Simon; Pfeifer, Lukas; Roke, Diederik; Comotti, Angiolina; Browne, Wesley R.; Feringa, Ben L.","Visible Light Driven Rotation of Molecular Motors in a Dual-Function Metal Organic Framework Enabled by Energy Transfer.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03063","","","1.54178","CuKα","","0.159","0.1238","","","0.3295","0.3715","","","","","","1.052","","","","has coordinates","251768","2020-10-21","18:00:00",""
"4134898","16.6421","0.0008","16.6421","0.0008","16.1146","0.0015","90","","90","","90","","4463.1","0.5","100","2","100","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C48 H24 N6 O8 Pd Zn2 -","- C48 H24 N6 O8 Pd Zn2 -","- C48 H24 N6 O8 Pd Zn2 -","1","0.0625","","Danowski, Wojciech; Castiglioni, Fabio; Sardjan, Andy; Krause, Simon; Pfeifer, Lukas; Roke, Diederik; Comotti, Angiolina; Browne, Wesley R.; Feringa, Ben L.","Visible Light Driven Rotation of Molecular Motors in a Dual-Function Metal Organic Framework Enabled by Energy Transfer.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03063","","","1.54178","CuKα","","0.0747","0.0625","","","0.1752","0.185","","","","","","1.06","","","","has coordinates","251769","2020-10-21","18:00:00",""
"4134899","7.8815","0.0011","15.761","0.002","33.58","0.005","90","","93.75","0.004","90","","4162.4","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N4 O6 Pd0.5 Zn -","- C36 H24 N4 O6 Pd0.5 Zn -","- C144 H96 N16 O24 Pd2 Zn4 -","4","1","","Danowski, Wojciech; Castiglioni, Fabio; Sardjan, Andy; Krause, Simon; Pfeifer, Lukas; Roke, Diederik; Comotti, Angiolina; Browne, Wesley R.; Feringa, Ben L.","Visible Light Driven Rotation of Molecular Motors in a Dual-Function Metal Organic Framework Enabled by Energy Transfer.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03063","","","1.54178","CuKα","","0.0917","0.0553","","","0.1153","0.1251","","","","","","1.04","","","","has coordinates,has disorder","251770","2020-10-21","18:00:00",""
"4134900","11.0535","0.0008","13.1232","0.0008","12.7009","0.0009","90","","108.368","0.002","90","","1748.5","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 F6 I O2 -","- C16 H17 F6 I O2 -","- C64 H68 F24 I4 O8 -","4","1","","Ding, Wei; Chai, Jinkui; Wang, Chen; Wu, Junliang; Yoshikai, Naohiko","Stereoselective Access to Highly Substituted Vinyl Ethers via <i>trans</i>-Difunctionalization of Alkynes with Alcohols and Iodine(III) Electrophile.","Journal of the American Chemical Society","2020","142","19","8619","8624","10.1021/jacs.0c04140","","","0.71073","MoKα","","0.0544","0.0378","","","0.0749","0.09","","","","","","1.298","","","","has coordinates","252607","2020-10-21","18:00:00",""
"4134901","16.2807","0.0004","12.2181","0.0002","21.3944","0.0004","90","","90","","90","","4255.76","0.15","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18.5 H14 Cl F6 I O2 -","- C18.501 H14.002 Cl1.002 F6 I O2 -","- C148.008 H112.016 Cl8.016 F48 I8 O16 -","8","2","","Ding, Wei; Chai, Jinkui; Wang, Chen; Wu, Junliang; Yoshikai, Naohiko","Stereoselective Access to Highly Substituted Vinyl Ethers via <i>trans</i>-Difunctionalization of Alkynes with Alcohols and Iodine(III) Electrophile.","Journal of the American Chemical Society","2020","142","19","8619","8624","10.1021/jacs.0c04140","","","0.71073","MoKα","","0.1518","0.088","","","0.1499","0.174","","","","","","1.104","","","","has coordinates,has disorder","252607","2020-10-21","18:00:00",""
"4134902","7.442","0.0003","11.8848","0.0005","12.5542","0.0005","116.944","0.0013","95.0969","0.0014","102.62","0.0015","943.14","0.07","174","2","174","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 F6 I O2 Si -","- C15 H17 F6 I O2 Si -","- C30 H34 F12 I2 O4 Si2 -","2","1","","Ding, Wei; Chai, Jinkui; Wang, Chen; Wu, Junliang; Yoshikai, Naohiko","Stereoselective Access to Highly Substituted Vinyl Ethers via <i>trans</i>-Difunctionalization of Alkynes with Alcohols and Iodine(III) Electrophile.","Journal of the American Chemical Society","2020","142","19","8619","8624","10.1021/jacs.0c04140","","","0.71073","MoKα","","0.0411","0.0302","","","0.0512","0.0556","","","","","","1.064","","","","has coordinates","252607","2020-10-21","18:00:00",""
"4134903","15.095","0.0004","12.5082","0.0003","20.9361","0.0005","90","","105.178","0.0009","90","","3815.08","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 F6 I O2 -","- C19 H15 F6 I O2 -","- C152 H120 F48 I8 O16 -","8","2","","Ding, Wei; Chai, Jinkui; Wang, Chen; Wu, Junliang; Yoshikai, Naohiko","Stereoselective Access to Highly Substituted Vinyl Ethers via <i>trans</i>-Difunctionalization of Alkynes with Alcohols and Iodine(III) Electrophile.","Journal of the American Chemical Society","2020","142","19","8619","8624","10.1021/jacs.0c04140","","","0.71073","MoKα","","0.0632","0.0431","","","0.0606","0.0657","","","","","","1.136","","","","has coordinates","252607","2020-10-21","18:00:00",""
"4134904","8.7791","0.0003","11.6967","0.0004","18.8185","0.0006","82.514","0.003","79.563","0.002","81.077","0.002","1867.02","0.11","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C37 H38 Cl F6 N6 O3 P Ru -","- C37 H38 Cl F6 N6 O3 P Ru -","- C74 H76 Cl2 F12 N12 O6 P2 Ru2 -","2","1","","Gonell, Sergio; Assaf, Eric A.; Duffee, Kyle D.; Schauer, Cynthia K.; Miller, Alexander J. M.","Kinetics of the <i>Trans</i> Effect in Ruthenium Complexes Provide Insight into the Factors That Control Activity and Stability in CO<sub>2</sub> Electroreduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02912","","","1.54178","CuKα","","0.088","0.0692","","","0.1684","0.1793","","","","","","1.059","","","","has coordinates","251776","2020-10-21","18:00:00",""
"4134905","17.6809","0.0003","13.9926","0.0002","30.1337","0.0005","90","","90","","90","","7455.1","0.2","100","2","100.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C32 H31.35 Cl2 F12 N6 O P2 Ru -","- C32 H31.35 Cl2 F12 N6 O P2 Ru -","- C256 H250.8 Cl16 F96 N48 O8 P16 Ru8 -","8","1","","Gonell, Sergio; Assaf, Eric A.; Duffee, Kyle D.; Schauer, Cynthia K.; Miller, Alexander J. M.","Kinetics of the <i>Trans</i> Effect in Ruthenium Complexes Provide Insight into the Factors That Control Activity and Stability in CO<sub>2</sub> Electroreduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02912","","","1.54178","CuKα","","0.0842","0.0698","","","0.1434","0.1487","","","","","","1.206","","","","has coordinates,has disorder","251777","2020-10-21","18:00:00",""
"4134906","11.039","0.0002","24.302","0.0005","13.6393","0.0003","90","","98.537","0.001","90","","3618.47","0.13","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 F12 N6 O P2 Ru -","- C36 H28 F12 N6 O P2 Ru -","- C144 H112 F48 N24 O4 P8 Ru4 -","4","1","","Gonell, Sergio; Assaf, Eric A.; Duffee, Kyle D.; Schauer, Cynthia K.; Miller, Alexander J. M.","Kinetics of the <i>Trans</i> Effect in Ruthenium Complexes Provide Insight into the Factors That Control Activity and Stability in CO<sub>2</sub> Electroreduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02912","","","1.54178","CuKα","","0.0345","0.0303","","","0.0714","0.0736","","","","","","1.043","","","","has coordinates,has disorder","251778","2020-10-21","18:00:00",""
"4134907","24.8897","0.0002","50.19","0.0003","90.1828","0.0004","90","","90","","90","","112658","1.2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C438 H420 Cd6 F36 N60 O60 S12 -","- C433.71 H420 Cd6 F23.13 N60 O47.13 S7.71 -","- C3469.68 H3360 Cd48 F185.04 N480 O377.04 S61.68 -","8","1","","Zhang, Dawei; Ronson, Tanya K.; Xu, Lin; Nitschke, Jonathan R.","Transformation Network Culminating in a Heteroleptic Cd<sub>6</sub>L<sub>6</sub>L'<sub>2</sub> Twisted Trigonal Prism.","Journal of the American Chemical Society","2020","142","20","9152","9157","10.1021/jacs.0c03798","","","0.6889","Synchrotron","","0.1742","0.1488","","","0.3915","0.4093","","","","","","1.172","","","","has coordinates,has disorder","252608","2020-10-21","18:00:00",""
"4134908","22.9361","0.0015","23.5657","0.0015","48.429","0.003","90.316","0.002","93.473","0.002","99.963","0.002","25731","3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C246.5 H171.75 Cd4 F24 N41.25 O36 S8 -","- C245.204 H170.25 Cd4 F20.1135 N41.25 O32.1135 S6.7045 -","- C980.818 H681 Cd16 F80.454 N165 O128.454 S26.818 -","4","2","","Zhang, Dawei; Ronson, Tanya K.; Xu, Lin; Nitschke, Jonathan R.","Transformation Network Culminating in a Heteroleptic Cd<sub>6</sub>L<sub>6</sub>L'<sub>2</sub> Twisted Trigonal Prism.","Journal of the American Chemical Society","2020","142","20","9152","9157","10.1021/jacs.0c03798","","","1.54178","CuKα","","0.1323","0.0948","","","0.2524","0.2837","","","","","","1.007","","","","has coordinates,has disorder","252608","2020-10-21","18:00:00",""
"4134909","18.925","0.004","19.158","0.004","48.752","0.01","90","","93.26","0.03","90","","17647","6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C164 H117 F24 Fe2 N25 O16 S8 -","- C161.946 H117 F17.838 Fe2 N23.968 O11.892 S5.946 -","- C647.784 H468 F71.352 Fe8 N95.872 O47.568 S23.784 -","4","1","","Zhang, Dawei; Ronson, Tanya K.; Xu, Lin; Nitschke, Jonathan R.","Transformation Network Culminating in a Heteroleptic Cd<sub>6</sub>L<sub>6</sub>L'<sub>2</sub> Twisted Trigonal Prism.","Journal of the American Chemical Society","2020","142","20","9152","9157","10.1021/jacs.0c03798","","","0.6889","Synchrotron","","0.1659","0.1303","","","0.3425","0.3686","","","","","","1.012","","","","has coordinates,has disorder","252608","2020-10-21","18:00:00",""
"4134910","42.315","0.006","42.315","0.006","19.337","0.004","90","","90","","120","","29985","9","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C115.01 H107.4 F12 N12.64 O23.65 Ru4 S4 -","- C115.01 H107.4 F12 N12.64 O23.65 Ru4 S4 -","- C1035.09 H966.6 F108 N113.76 O212.85 Ru36 S36 -","9","1","","Singh, Jatinder; Kim, Dong Hwan; Kim, Eun-Hee; Kim, Hyunuk; Hadiputra, Rizky; Jung, Jaehoon; Chi, Ki-Whan","The first quantitative synthesis of a closed three‒link chain (6<sup>3</sup><sub>1</sub>) using coordination and non-covalent interactions‒driven self‒assembly.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01406","","","0.7","synchrotron","","0.0875","0.0846","","","0.2272","0.2367","","","","","","1.037","","","","has coordinates","251818","2020-10-21","18:00:00",""
"4134911","5.8373","0.0003","8.5386","0.0005","47.775","0.003","90","","90","","90","","2381.2","0.2","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 O3 -","- C29 H32 O3 -","- C116 H128 O12 -","4","1","","Dong, Xiao-Yang; Cheng, Jiang-Tao; Zhang, Yu-Feng; Li, Zhong-Liang; Zhan, Tian-Ya; Chen, Ji-Jun; Wang, Fu-Li; Yang, Ning-Yuan; Ye, Liu; Gu, Qiang-Shuai; Liu, Xin-Yuan","Copper-Catalyzed Asymmetric Radical 1,2-Carboalkynylation of Alkenes with Alkyl Halides and Terminal Alkynes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03130","","x-ray","1.54178","CuKα","","0.0254","0.0253","","","0.0639","0.064","","","","","","1.067","","","","has coordinates","251854","2020-10-21","18:00:00",""
"4134912","8.983","0.0005","12.8241","0.0007","24.4677","0.0016","90","","90","","90","","2818.7","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Cl N3 O2 S -","- C32 H28 Cl N3 O2 S -","- C128 H112 Cl4 N12 O8 S4 -","4","1","","Whyte, Andrew; Torelli, Alexa; Mirabi, Bijan; Prieto, Liher; Rodríguez, José F; Lautens, Mark","Cobalt-Catalyzed Enantioselective Hydroarylation of 1,6-Enynes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03246","","","0.71073","MoKα","","0.0578","0.0359","","","0.0758","0.0849","","","","","","1.023","","","","has coordinates","251855","2020-10-21","18:00:00",""
"4134913","10.17","0.005","18.68","0.005","10.35","0.005","90","","101.22","0.05","90","","1928.7","1.5","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C17 H15 Cu N3 O5 -","- C17 H15 Cu N3 O5 -","- C68 H60 Cu4 N12 O20 -","4","0.5","","Ortín-Rubio, Borja; Ghasempour, Hosein; Guillerm, Vincent; Morsali, Ali; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-Clipping: An Approach to Deduce the Topology of Metal-Organic Frameworks Built with Zigzag Ligands.","Journal of the American Chemical Society","2020","142","20","9135","9140","10.1021/jacs.0c03404","","","0.82653","synchrotron","","0.0592","0.0566","","","0.1754","0.1785","","","","","","1.125","","","","has coordinates,has disorder","252609","2020-10-21","18:00:00",""
"4134914","17.29","0.005","17.43","0.005","24.11","0.005","90","","91.22","0.05","90","","7264","3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10.5 H6 O4.5 Tb0.75 -","- C10.5 H6 O4.5 Tb0.75 -","- C168 H96 O72 Tb12 -","16","4","","Ortín-Rubio, Borja; Ghasempour, Hosein; Guillerm, Vincent; Morsali, Ali; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-Clipping: An Approach to Deduce the Topology of Metal-Organic Frameworks Built with Zigzag Ligands.","Journal of the American Chemical Society","2020","142","20","9135","9140","10.1021/jacs.0c03404","","","0.82653","synchrotron","","0.044","0.042","","","0.1244","0.1262","","","","","","1.091","","","","has coordinates","252609","2020-10-21","18:00:00",""
"4134915","6.9388","0.0002","15.0508","0.0003","32.586","0.0008","90","","90","","90","","3403.1","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Br Cl N3 O -","- C17 H17 Br Cl N3 O -","- C136 H136 Br8 Cl8 N24 O8 -","8","2","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","1.54178","CuKα","","0.0585","0.0459","","","0.0949","0.0996","","","","","","1.047","","","","has coordinates","252610","2020-10-21","18:00:00",""
"4134916","7.0227","0.0003","15.3766","0.0006","15.8486","0.0006","90","","99.589","0.003","90","","1687.5","0.12","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H21 Br Cl N3 O -","- C16 H21 Br Cl N3 O -","- C64 H84 Br4 Cl4 N12 O4 -","4","2","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","1.54178","CuKα","","0.0668","0.0648","","","0.1692","0.1712","","","","","","1.159","","","","has coordinates","252610","2020-10-21","18:00:00",""
"4134917","9.7525","0.0002","10.9189","0.0002","11.7345","0.0002","115.117","0.0011","96.8758","0.0012","106.146","0.0011","1045.39","0.04","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H24 Br F3 O2 Si -","- C19.9995 H24 Br F2.9985 O2 Si -","- C39.999 H48 Br2 F5.997 O4 Si2 -","2","2","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","0.71073","MoKα","","0.0247","0.0234","","","0.0582","0.0587","","","","","","1.029","","","","has coordinates,has disorder","252610","2020-10-21","18:00:00",""
"4134918","31.216","0.003","8.4388","0.0008","8.5385","0.0008","90","","93.3905","0.0017","90","","2245.3","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H28 Br Cl N3 O1.5 -","- C23 H28 Br Cl N3 O1.5 -","- C92 H112 Br4 Cl4 N12 O6 -","4","1","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","0.71073","MoKα","","0.0377","0.0327","","","0.0621","0.0636","","","","","","1.042","","","","has coordinates,has disorder","252610","2020-10-21","18:00:00",""
"4134919","21.8423","0.0005","21.8423","0.0005","39.3731","0.0018","90","","90","","90","","18784.4","1.1","291.1","0.1","291.1","0.1","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C55 H33 Co4.5 N4 O17.5 -","- C55 H33 Co4.5 N4 O17.5 -","- C440 H264 Co36 N32 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","0.71","MoKα","","0.1809","0.097","","","0.2283","0.2793","","","","","","0.92","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134920","21.8132","0.0001","21.8132","0.0001","39.0403","0.0009","90","","90","","90","","18576","0.4","273","2","273.15","","","","","","","","","5","P -4 n 2","P -4 -2n","118","","b","","- C54 H32 Co4.5 N5 O17.5 -","- C54 H32 Co4.5 N5 O17.5 -","- C432 H256 Co36 N40 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","","0.71073","MoKα","","0.0878","0.0736","","","0.2146","0.2293","","","","","","1.123","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134921","21.7735","0.0005","21.7735","0.0005","39.2031","0.0016","90","","90","","90","","18585.6","1","294.08","0.17","294.08","0.17","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C52 H30 Co4.5 N7 O17.5 -","- C52 H30 Co4.5 N7 O17.5 -","- C416 H240 Co36 N56 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","0.71073","MoKα","","0.1544","0.0903","","","0.2385","0.2754","","","","","","0.943","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134922","21.8598","0.0003","21.8598","0.0003","39.3559","0.0011","90","","90","","90","","18806.3","0.6","293.6","0.4","293.6","0.4","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C58 H40 Co4.5 N4 O17.5 -","- C58 H40 Co4.5 N4 O17.5 -","- C464 H320 Co36 N32 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","1.54184","CuKα","","0.1795","0.1208","","","0.311","0.3637","","","","","","1.09","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134923","21.8545","0.0003","21.8545","0.0003","39.3775","0.0009","90","","90","","90","","18807.4","0.6","100","0.1","100","0.1","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C55 H23.5 Co4.5 F4 N4 O17.5 -","- C55 H23.5 Co4.5 F4 N4 O17.5 -","- C440 H188 Co36 F32 N32 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","1.54184","CuKα","","0.1564","0.1049","","","0.2766","0.3256","","","","","","1.053","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134924","21.9069","0.0004","21.9069","0.0004","39.6456","0.0013","90","","90","","90","","19026.4","0.8","293.26","0.16","293.26","0.16","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C57 H33 Co4.5 N4 O17.5 -","- C57 H33 Co4.5 N4 O17.5 -","- C456 H264 Co36 N32 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","0.71073","MoKα","","0.1149","0.0922","","","0.2674","0.2939","","","","","","1.059","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134925","21.9081","0.0004","21.9081","0.0004","39.4769","0.0013","90","","90","","90","","18947.5","0.8","294.1","0.6","294.1","0.6","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C55 H31 Br0.5 Co4.5 N4 O17.5 -","- C55 H31 Br0.5 Co4.5 N4 O17.5 -","- C440 H248 Br4 Co36 N32 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","1.54184","CuKα","","0.228","0.1278","","","0.313","0.4049","","","","","","0.999","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134926","21.6973","0.0005","21.6973","0.0005","39.0746","0.0019","90","","90","","90","","18395.3","1.1","292.17","0.1","292.17","0.1","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C55 H34 N4 Ni4.5 O17.5 -","- C55 H33 N4 Ni4.5 O17.5 -","- C440 H264 N32 Ni36 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","1.54184","CuKα","","0.1853","0.0915","","","0.2244","0.2854","","","","","","0.885","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134927","22.596","0.003","15.3727","0.0018","25.369","0.003","90","","116.2","0.001","90","","7906.8","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Plutonium(IV) benzoate chain","","","- C84 H60 O24 Pu3 -","- C84 H60 O24 Pu3 -","- C336 H240 O96 Pu12 -","4","1","","Hastings, Ashley; Ray, Debmalya; Jeong, WooSeok; Gagliardi, Laura; Farha, Omar K.; Hixon, Amy E.","Advancement of Actinide Metal-Organic Framework Chemistry via Synthesis of Pu-UiO-66.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01895","","","0.71073","MoKα","","0.0765","0.0451","","","0.094","0.1072","","","","","","1.053","","","","has coordinates,has disorder","251864","2020-10-21","18:00:00",""
"4134928","19.1389","0.0002","10.964","0.0001","7.0851","0.0001","90","","90","","90","","1486.73","0.03","100","2","100","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C21 H15 N3 -","- C21 H15 N3 -","- C84 H60 N12 -","4","0.5","","Torresi, Stefano; Famulari, Antonino; Marti-Rujas, Javier","Kinetically controlled fast crystallization of M12L8 poly-[n]-catenanes using the 2,4,6-tris(4-pyridyl)benzene ligand and ZnCl2 in aromatic environment.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03319","","","0.72931","Synchrotron","","0.041","0.0407","","","0.1148","0.1151","","","","","","1.122","","","","has coordinates","251915","2020-10-21","18:00:00",""
"4134929","7.0496","0.0004","7.3004","0.0004","12.5978","0.0006","95.981","0.001","91.257","0.001","103.049","0.002","627.47","0.06","150","2","150","2","","","","","","","synthesized Dr. Carina Santos Hurtado","5","P -1","-P 1","2","","","","- C12 H7 Cl2 I N2 -","- C12 H7 Cl2 I N2 -","- C24 H14 Cl4 I2 N4 -","2","1","","Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří","Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01753","","","0.71073","MoKα","","0.0174","0.017","","","0.0384","0.0386","","","","","","1.149","","","","has coordinates","251916","2020-10-21","18:00:00",""
"4134930","6.9334","0.0005","20.6646","0.0016","9.3354","0.0007","90","","91.617","0.003","90","","1337.01","0.17","150","2","150","2","","","","","","","synthesized by Dr. Guillaume Bastien","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 F3 Hg O2 -","- C13 H15 F3 Hg O2 -","- C52 H60 F12 Hg4 O8 -","4","1","","Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří","Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01753","","","0.71073","MoKα","","0.0379","0.03","","","0.0658","0.0686","","","","","","1.099","","","","has coordinates","251917","2020-10-21","18:00:00",""
"4134931","16.9364","0.0006","18.8622","0.0006","16.6935","0.0006","90","","90","","90","","5332.9","0.3","120","2","120","2","","","","","","","synthesized by Dr. Guillaume Bastien","4","I b a 2","I 2 -2c","45","","","","- C14 H21 N O -","- C14 H21 N O -","- C224 H336 N16 O16 -","16","2","","Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří","Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01753","","","1.54178","CuKα","","0.0386","0.0367","","","0.0948","0.0964","","","","","","1.056","","","","has coordinates,has disorder","251918","2020-10-21","18:00:00",""
"4134932","7.2162","0.001","7.3078","0.0011","12.8297","0.0015","90","","100.577","0.005","90","","665.07","0.16","150","2","150","2","","","","","","","synthesized by Dr. Carina Santos Hurtado","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Cl4 N2 O2 -","- C12 H6 Cl4 N2 O2 -","- C24 H12 Cl8 N4 O4 -","2","0.5","","Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří","Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01753","","","0.71073","MoKα","","0.0434","0.0311","","","0.0714","0.076","","","","","","1.078","","","","has coordinates","251919","2020-10-21","18:00:00",""
"4134933","19.8411","0.0011","15.7283","0.0009","5.9355","0.0003","90","","90","","90","","1852.27","0.17","120","2","120","2","","","","","","","synthesized by Dr. Guillaume Bastien","4","P n m a","-P 2ac 2n","62","","","","- C20 H25 I N2 -","- C20.5 H25 I N2 -","- C82 H100 I4 N8 -","4","0.5","","Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří","Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01753","","","0.71073","MoKα","","0.0324","0.0273","","","0.0567","0.0588","","","","","","1.113","","","","has coordinates,has disorder","251920","2020-10-21","18:00:00",""
"4134934","6.2193","0.0003","9.1548","0.0006","13.0735","0.0007","108.089","0.002","95.389","0.002","100.572","0.002","686.43","0.07","150","2","150","2","","","","","","","synthesized by Dr. Guillaume Bastien","5","P -1","-P 1","2","","","","- C24 H32 Cl6 N2 O2 -","- C24 H32 Cl6 N2 O2 -","- C24 H32 Cl6 N2 O2 -","1","0.5","","Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří","Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01753","","","0.71073","MoKα","","0.0401","0.0362","","","0.0965","0.0993","","","","","","1.04","","","","has coordinates","251921","2020-10-21","18:00:00",""
"4134935","6.8955","0.0002","15.5594","0.0004","21.9079","0.0006","90","","90","","90","","2350.5","0.11","100.01","","100.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(5S*,10R*,12R*,14S*)-6-chloro-2-methyl-5,10-dihydro-1H-5,10-[2,3]epoxireno[1,2,4]triazolo[1,2-b]phthalazine-1,3(2H)-dione","","- C13 H10 Cl N3 O3 -","- C13 H10 Cl N3 O3 -","- C104 H80 Cl8 N24 O24 -","8","1","","Siddiqi, Zohaib; Wertjes, William C.; Sarlah, David","Chemical Equivalent of Arene Monooxygenases: Dearomative Synthesis of Arene Oxides and Oxepines.","Journal of the American Chemical Society","2020","142","22","10125","10131","10.1021/jacs.0c02724","","x-ray","0.71073","MoKα","","0.0418","0.0335","","","0.0788","0.0826","","","","","","1.099","","","","has coordinates,has disorder","257115","2020-10-21","18:00:00",""
"4134936","24.6871","0.0011","6.8296","0.0003","21.0493","0.0009","90","","119.699","0.001","90","","3082.8","0.2","99.99","","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(5R*,11S*,12S*,14R*)-4-chloro-8-methyl-2-(trifluoromethyl)-5,11-dihydro-7H-11,5-[2,3]epoxirenopyrido[2,3-d][1,2,4]triazolo[1,2-a]pyridazine-7,9(8H)-dione","","- C13.5 H9 Cl2 F3 N4 O3 -","- C13.5 H9 Cl2 F3 N4 O3 -","- C108 H72 Cl16 F24 N32 O24 -","8","1","","Siddiqi, Zohaib; Wertjes, William C.; Sarlah, David","Chemical Equivalent of Arene Monooxygenases: Dearomative Synthesis of Arene Oxides and Oxepines.","Journal of the American Chemical Society","2020","142","22","10125","10131","10.1021/jacs.0c02724","","x-ray","0.71073","MoKα","","0.0294","0.0283","","","0.073","0.074","","","","","","1.038","","","","has coordinates,has disorder","257115","2020-10-21","18:00:00",""
"4134937","7.8858","0.0002","6.0451","0.0002","8.4347","0.0003","90","","114.305","0.001","90","","366.45","0.02","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","benzo[d]oxepine","","- C10 H8 O -","- C10 H8 O -","- C20 H16 O2 -","2","0.5","","Siddiqi, Zohaib; Wertjes, William C.; Sarlah, David","Chemical Equivalent of Arene Monooxygenases: Dearomative Synthesis of Arene Oxides and Oxepines.","Journal of the American Chemical Society","2020","142","22","10125","10131","10.1021/jacs.0c02724","","x-ray","0.71073","MoKα","","0.043","0.0421","","","0.112","0.1126","","","","","","1.166","","","","has coordinates,has disorder","257115","2020-10-21","18:00:00",""
"4134938","7.5594","0.0007","15.3365","0.0014","7.7117","0.0007","90","","98.206","0.002","90","","884.9","0.14","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1aR*,2S*,8R*,8aS*)-5-methyl-1a,2,8,8a-tetrahydro-4H-2,8-ethenooxireno[2,3-d][1,2,4]triazolo[1,2-a]pyridazine-4,6(5H)-dione","","- C9 H9 N3 O3 -","- C9 H9 N3 O3 -","- C36 H36 N12 O12 -","4","1","","Siddiqi, Zohaib; Wertjes, William C.; Sarlah, David","Chemical Equivalent of Arene Monooxygenases: Dearomative Synthesis of Arene Oxides and Oxepines.","Journal of the American Chemical Society","2020","142","22","10125","10131","10.1021/jacs.0c02724","","x-ray","0.71073","MoKα","","0.0469","0.0418","","","0.1242","0.1306","","","","","","1.036","","","","has coordinates","257115","2020-10-21","18:00:00",""
"4134939","15.658","0.003","16.014","0.003","24.347","0.004","78.975","0.002","77.363","0.002","82.456","0.003","5821.6","1.8","88","2","88","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H190 Gd2 K2 N8 O19 Si12 -","- C76 H190 Gd2 K2 N8 O19 Si12 -","- C152 H380 Gd4 K4 N16 O38 Si24 -","2","1","","Ryan, Austin J.; Balasubramani, Sreeganesh; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Formation of the End-on Bound Lanthanide Dinitrogen Complexes, [(R2N)3Ln-N=N-Ln(NR2)3]2-, from Divalent [(R2N)3Ln]1- Salts (R = SiMe3).","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01021","","","0.71073","MoKα","","0.0739","0.0465","","","0.1014","0.1129","","","","","","1.041","","","","has coordinates,has disorder","251949","2020-10-21","18:00:00",""
"4134940","15.437","0.002","16.218","0.002","26.133","0.003","102.911","0.0017","96.0143","0.0017","104.664","0.0017","6078.5","1.3","88","2","88","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H200 K2 N12 O14 Si12 Tb2 -","- C80 H200 K2 N12 O14 Si12 Tb2 -","- C160 H400 K4 N24 O28 Si24 Tb4 -","2","1","","Ryan, Austin J.; Balasubramani, Sreeganesh; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Formation of the End-on Bound Lanthanide Dinitrogen Complexes, [(R2N)3Ln-N=N-Ln(NR2)3]2-, from Divalent [(R2N)3Ln]1- Salts (R = SiMe3).","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01021","","","0.71073","MoKα","","0.052","0.0334","","","0.0608","0.0664","","","","","","1.012","","","","has coordinates","251950","2020-10-21","18:00:00",""
"4134941","26.421","0.003","30.378","0.004","17.244","0.002","90","","90.8796","0.0017","90","","13839","3","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H120 Gd K N4 O6 Si8 -","- C48 H120 Gd K N4 O6 Si8 -","- C384 H960 Gd8 K8 N32 O48 Si64 -","8","1","","Ryan, Austin J.; Balasubramani, Sreeganesh; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Formation of the End-on Bound Lanthanide Dinitrogen Complexes, [(R2N)3Ln-N=N-Ln(NR2)3]2-, from Divalent [(R2N)3Ln]1- Salts (R = SiMe3).","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01021","","","0.71073","MoKα","","0.0661","0.0556","","","0.1373","0.1452","","","","","","1.04","","","","has coordinates,has disorder","251951","2020-10-21","18:00:00",""
"4134942","12.6104","0.0011","20.7558","0.0017","16.9683","0.0014","90","","93.7131","0.0011","90","","4431.9","0.6","88","2","88","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H146 Gd2 K N7 O7 Si10 -","- C58 H146 Gd2 K N7 O7 Si10 -","- C116 H292 Gd4 K2 N14 O14 Si20 -","2","1","","Ryan, Austin J.; Balasubramani, Sreeganesh; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Formation of the End-on Bound Lanthanide Dinitrogen Complexes, [(R2N)3Ln-N=N-Ln(NR2)3]2-, from Divalent [(R2N)3Ln]1- Salts (R = SiMe3).","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01021","","","0.71073","MoKα","","0.0352","0.0333","","","0.0846","0.0862","","","","","","1.068","","","","has coordinates","251952","2020-10-21","18:00:00",""
"4134943","15.237","0.003","20.708","0.005","21.341","0.005","75.118","0.003","79.221","0.003","76.734","0.003","6275","2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H210 Gd2 K2 N12 O15 Si12 -","- C84 H210 Gd2 K2 N12 O15 Si12 -","- C168 H420 Gd4 K4 N24 O30 Si24 -","2","1","","Ryan, Austin J.; Balasubramani, Sreeganesh; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Formation of the End-on Bound Lanthanide Dinitrogen Complexes, [(R2N)3Ln-N=N-Ln(NR2)3]2-, from Divalent [(R2N)3Ln]1- Salts (R = SiMe3).","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01021","","","0.71073","MoKα","","0.0515","0.0362","","","0.0794","0.0864","","","","","","1.026","","","","has coordinates,has disorder","251953","2020-10-21","18:00:00",""
"4134944","13.1985","0.0006","7.991","0.0004","21.6147","0.001","90","","107.357","0.001","90","","2175.88","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H33 Cl N O Rh -","- C23 H33 Cl N O Rh -","- C92 H132 Cl4 N4 O4 Rh4 -","4","1","","Kim, Sangmin; Zhong, Hongyu; Park, Yoonsu; Loose, Florian; Chirik, Paul J.","Catalytic Hydrogenation of a Manganese(V) Nitride to Ammonia.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03346","","","0.71073","MoKα","","0.0382","0.0322","","","0.0802","0.0835","","","","","","1.065","","","","has coordinates","251954","2020-10-21","18:00:00",""
"4134945","12.8238","0.0007","7.5442","0.0004","17.2155","0.001","90","","102.9","0.002","90","","1623.48","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N Rh -","- C19 H26 N Rh -","- C76 H104 N4 Rh4 -","4","1","","Kim, Sangmin; Zhong, Hongyu; Park, Yoonsu; Loose, Florian; Chirik, Paul J.","Catalytic Hydrogenation of a Manganese(V) Nitride to Ammonia.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03346","","","0.71073","MoKα","","0.1006","0.0615","","","0.1065","0.1188","","","","","","1.072","","","","has coordinates","251954","2020-10-21","18:00:00",""
"4134946","13.5272","0.0006","7.7023","0.0003","18.0407","0.0008","90","","111.505","0.001","90","","1748.82","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 N Rh -","- C21 H28 N Rh -","- C84 H112 N4 Rh4 -","4","1","","Kim, Sangmin; Zhong, Hongyu; Park, Yoonsu; Loose, Florian; Chirik, Paul J.","Catalytic Hydrogenation of a Manganese(V) Nitride to Ammonia.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03346","","","0.71073","MoKα","","0.0447","0.035","","","0.083","0.0879","","","","","","1.083","","","","has coordinates","251954","2020-10-21","18:00:00",""
"4134947","8.6741","0.0002","9.5339","0.0002","10.0675","0.0002","99.45","0.001","109.73","0.001","90.874","0.001","770.81","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 N2 Rh2 -","- C38 H48 N2 Rh2 -","- C38 H48 N2 Rh2 -","1","0.5","","Kim, Sangmin; Zhong, Hongyu; Park, Yoonsu; Loose, Florian; Chirik, Paul J.","Catalytic Hydrogenation of a Manganese(V) Nitride to Ammonia.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03346","","","1.54178","CuKα","","0.0188","0.0186","","","0.0502","0.0505","","","","","","1.069","","","","has coordinates","251954","2020-10-21","18:00:00",""
"4134948","12.8596","0.0002","12.8714","0.0002","16.7648","0.0002","92.496","0.001","96.418","0.001","105.15","","2654.03","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H40 B F24 N2 Rh -","- C53 H40 B F24 N2 Rh -","- C106 H80 B2 F48 N4 Rh2 -","2","1","","Kim, Sangmin; Zhong, Hongyu; Park, Yoonsu; Loose, Florian; Chirik, Paul J.","Catalytic Hydrogenation of a Manganese(V) Nitride to Ammonia.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03346","","","1.54178","CuKα","","0.0469","0.0469","","","0.1163","0.1163","","","","","","1.104","","","","has coordinates,has disorder","251954","2020-10-21","18:00:00",""
"4134949","5.9297","0.0004","9.0915","0.0006","19.9795","0.0014","90","","90","","90","","1077.09","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","YCL2-14","","","- C10 H16 Br N O2 -","- C10 H16 Br N O2 -","- C40 H64 Br4 N4 O8 -","4","1","","Lin, You-Chen; Ribaucourt, Aubert; Moazami, Yasamin; Pierce, Joshua G.","Concise Synthesis and Antimicrobial Evaluation of the Guanidinium Alkaloid Batzelladine D: Development of a Stereodivergent Strategy.","Journal of the American Chemical Society","2020","142","21","9850","9857","10.1021/jacs.0c04091","","","0.71073","MoKα","","0.0342","0.0247","","","0.0521","0.0547","","","","","","1.031","","","","has coordinates","252613","2020-10-21","18:00:00",""
"4134950","12.8389","0.0005","11.5893","0.0004","11.69","0.0004","90","","90.6262","0.0012","90","","1739.3","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 N O2 Si -","- C15 H29 N O2 Si -","- C60 H116 N4 O8 Si4 -","4","1","","Lin, You-Chen; Ribaucourt, Aubert; Moazami, Yasamin; Pierce, Joshua G.","Concise Synthesis and Antimicrobial Evaluation of the Guanidinium Alkaloid Batzelladine D: Development of a Stereodivergent Strategy.","Journal of the American Chemical Society","2020","142","21","9850","9857","10.1021/jacs.0c04091","","","0.71073","MoKα","","0.045","0.0339","","","0.0843","0.0901","","","","","","1.029","","","","has coordinates","252613","2020-10-21","18:00:00",""
"4134951","30.5594","0.0014","30.5594","0.0014","25.331","0.003","90","","90","","120","","20487","3","173","","173","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C58 H38 I0 N0 O17 Zr3 -","- C58 H38 O17 Zr3 -","- C522 H342 O153 Zr27 -","9","0.5","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","1.54178","CuKα","","0.0845","0.0685","","","0.1814","0.204","","","","","","1.058","","","","has coordinates","252594","2020-10-21","18:00:00",""
"4134952","30.654","0.004","30.654","0.004","24.9","0.007","90","","90","","120","","20263","7","173","","173","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C42 H30 O17 Zr3 -","- C42 H30 O17 Zr3 -","- C378 H270 O153 Zr27 -","9","0.5","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","1.54178","CuKα","","0.0979","0.0543","","","0.1178","0.1356","","","","","","0.931","","","","has coordinates","252594","2020-10-21","18:00:00",""
"4134953","16.031","0.002","36.971","0.005","44.102","0.005","90","","90","","90","","26138","6","173","","173","","","","","","","","","4","F m m m","-F 2 2","69","","","","- C56 H30 O20 Zr3 -","- C56 H30 O20 Zr3 -","- C448 H240 O160 Zr24 -","8","0.25","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","0.71073","MoKα","","0.1093","0.0764","","","0.1983","0.2325","","","","","","1.064","","","","has coordinates","252594","2020-10-21","18:00:00",""
"4134954","18.1834","0.0015","33.744","0.002","34.489","0.002","90","","90","","90","","21162","2","173","","173","","","","","","","","","4","F m m m","-F 2 2","69","","","","- C40 H22 O20 Zr3 -","- C40 H22 O20 Zr3 -","- C320 H176 O160 Zr24 -","8","0.25","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","0.71073","MoKα","","0.0871","0.0547","","","0.172","0.1961","","","","","","1.128","","","","has coordinates","252594","2020-10-21","18:00:00",""
"4134955","13.2744","0.0003","14.5586","0.0004","16.0139","0.0005","74.834","0.003","76.745","0.002","81.664","0.002","2895.51","0.14","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H76 F6 N2 O13 -","- C58 H76 F6 N2 O13 -","- C116 H152 F12 N4 O26 -","2","1","","Tian, Chong; Fielden, Stephen D. P.; Pérez-Saavedra, Borja; Vitorica-Yrezabal, Iñigo J; Leigh, David A.","Single-Step Enantioselective Synthesis of Mechanically Planar Chiral [2]Rotaxanes Using a Chiral Leaving Group Strategy.","Journal of the American Chemical Society","2020","142","21","9803","9808","10.1021/jacs.0c03447","","x-ray","1.54184","CuKα","","0.0522","0.0455","","","0.1093","0.1132","","","","","","1.046","","","","has coordinates,has disorder","252611","2020-10-21","18:00:00",""
"4134956","31.6505","0.0013","31.6505","0.0013","28.6511","0.0015","90","","90","","120","","24856.1","1.9","150","2","150","2","","","","","","","","7","P -3 m 1","-P 3 2""","164","","","","- C468 H396 Cu24 N12 O278 S24 Zr24 -","- C468 H396 Cu24 N12 O278 S24 Zr24 -","- C468 H396 Cu24 N12 O278 S24 Zr24 -","1","0.0833333","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.0971","0.0707","","","0.1967","0.2236","","","","","","1.026","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134957","35.9458","0.0006","35.9458","0.0006","28.285","0.0007","90","","90","","90","","36547.1","1.2","150","2","150","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C300 H348 Cu24 N36 O204 S24 -","- C300 H348 Cu24 N36 O204 S24 -","- C600 H696 Cu48 N72 O408 S48 -","2","0.125","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.1094","0.0924","","","0.2624","0.298","","","","","","1.021","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134958","35.291","0.003","17.2056","0.0014","35.416","0.002","90","","117.236","0.004","90","","19120","3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C124 H120 F12 O52 S4 Zr12 -","- C124 H120 F12 O52 S4 Zr12 -","- C496 H480 F48 O208 S16 Zr48 -","4","1","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.1079","0.0898","","","0.2168","0.2295","","","","","","0.977","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134959","36.587","0.004","36.587","0.004","36.587","0.004","90","","90","","90","","48976","9","200","2","200","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C120 H120 Cl4 O40 Zr12 -","- C120 H120 Cl4.0002 O40 Zr12 -","- C960 H960 Cl32.0016 O320 Zr96 -","8","0.0416667","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.0905","0.0721","","","0.2016","0.2275","","","","","","1.076","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134960","43.599","0.004","43.599","0.004","43.599","0.004","90","","90","","90","","82876","13","103","2","103","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C400 H280 Cu24 O272 S24 Zr24 -","- C399.974 H279.974 Cu24 O272 S24 Zr24 -","- C1599.9 H1119.9 Cu96 O1088 S96 Zr96 -","4","0.0208333","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.2593","0.2023","","","0.5032","0.5595","","","","","","2.291","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134961","9.8817","0.0006","19.0615","0.0015","7.877","0.0005","90","","90","","90","","1483.71","0.17","190","2","189.96","","","","","","","","","8","C m m m","-C 2 2","65","","","","- C22 H26 Cu F6 N4 O4 S2 Si -","- C22 H26 Cu F6 N4 O4 S2 Si -","- C44 H52 Cu2 F12 N8 O8 S4 Si2 -","2","0.125","","Wang, Jun; Zhang, Yan; Zhang, Peixin; Hu, Jianbo; Lin, Rui-Biao; Deng, Qiang; Zeng, Zheling; Xing, Huabin; Deng, Shuguang; Chen, Banglin","Optimizing Pore Space for Flexible-Robust Metal-Organic Framework to Boost Trace Acetylene Removal.","Journal of the American Chemical Society","2020","142","21","9744","9751","10.1021/jacs.0c02594","","","1.34139","GaKα","","0.0751","0.0669","","","0.1928","0.2026","","","","","","1.078","","","","has coordinates,has disorder","252595","2020-10-21","18:00:00",""
"4134962","19.04","0.004","9.9063","0.0018","15.835","0.003","90","","90","","90","","2986.7","1","193","2","193","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C20 H28 Cu F6 N4 O6 S2 Si -","- C20 H28 Cu F6 N4 O6 S2 Si -","- C80 H112 Cu4 F24 N16 O24 S8 Si4 -","4","0.25","","Wang, Jun; Zhang, Yan; Zhang, Peixin; Hu, Jianbo; Lin, Rui-Biao; Deng, Qiang; Zeng, Zheling; Xing, Huabin; Deng, Shuguang; Chen, Banglin","Optimizing Pore Space for Flexible-Robust Metal-Organic Framework to Boost Trace Acetylene Removal.","Journal of the American Chemical Society","2020","142","21","9744","9751","10.1021/jacs.0c02594","","","1.34139","GaKα","","0.0862","0.0752","","","0.239","0.2579","","","","","","1.08","","","","has coordinates,has disorder","252595","2020-10-21","18:00:00",""
"4134963","8.9325","0.0002","10.847","0.0003","10.2984","0.0003","90","","96.103","0.001","90","","992.17","0.05","152","2","152","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H24 O3 -","- C25 H24 O3 -","- C50 H48 O6 -","2","1","","Wang, Huanan; Luo, Hongwen; Zhang, Zhan-Ming; Zheng, Wei-Feng; Yin, Yu; Qian, Hui; Zhang, Junliang; Ma, Shengming","Pd-Catalyzed Enantioselective Syntheses of Trisubstituted Allenes via Coupling of Propargylic Benzoates with Organoboronic Acids.","Journal of the American Chemical Society","2020","142","21","9763","9771","10.1021/jacs.0c02876","","","1.54178","CuKα","","0.0324","0.0321","","","0.0905","0.0909","","","","","","1.113","","","","has coordinates","252614","2020-10-21","18:00:00",""
"4134964","19.7281","0.0008","15.4483","0.0009","30.7824","0.0013","90","","90","","90","","9381.4","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C65 H52 Cl2 N2 -","- C65 H52 Cl2 N2 -","- C520 H416 Cl16 N16 -","8","1","","Nakamura, Kimihiro; Li, Qiang-Qiang; Krejčí, Ondřej; Foster, Adam S.; Sun, Kewei; Kawai, Shigeki; Ito, Shingo","On-Surface Synthesis of a π-Extended Diaza[8]circulene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02534","","","0.71073","MoKα","","0.1227","0.0669","","","0.1545","0.1903","","","","","","1.026","","","","has coordinates,has disorder","252098","2020-10-21","18:00:00",""
"4134965","9.9506","0.0004","11.7661","0.0005","12.7401","0.0006","105.8","0.002","95.355","0.002","105.473","0.002","1360.9","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H29 N -","- C40 H29 N -","- C80 H58 N2 -","2","1","","Nakamura, Kimihiro; Li, Qiang-Qiang; Krejčí, Ondřej; Foster, Adam S.; Sun, Kewei; Kawai, Shigeki; Ito, Shingo","On-Surface Synthesis of a π-Extended Diaza[8]circulene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02534","","","0.71073","MoKα","","0.1125","0.0651","","","0.1383","0.1663","","","","","","1.023","","","","has coordinates","252099","2020-10-21","18:00:00",""
"4134966","10.8065","0.0005","12.0091","0.0006","12.1365","0.0005","76.3184","0.0016","82.9885","0.0017","84.3141","0.0019","1514.86","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H35 Cl2 N -","- C41 H35 Cl2 N -","- C82 H70 Cl4 N2 -","2","1","","Nakamura, Kimihiro; Li, Qiang-Qiang; Krejčí, Ondřej; Foster, Adam S.; Sun, Kewei; Kawai, Shigeki; Ito, Shingo","On-Surface Synthesis of a π-Extended Diaza[8]circulene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02534","","","0.71073","MoKα","","0.1485","0.0813","","","0.2051","0.2515","","","","","","1.038","","","","has coordinates","252100","2020-10-21","18:00:00",""
"4134967","15.8416","0.0008","20.2505","0.001","15.2623","0.0008","90","","100.626","0.0017","90","","4812.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67.51 H54.04 Cl N2 -","- C67.518 H54.042 Cl N2 -","- C270.072 H216.168 Cl4 N8 -","4","1","","Nakamura, Kimihiro; Li, Qiang-Qiang; Krejčí, Ondřej; Foster, Adam S.; Sun, Kewei; Kawai, Shigeki; Ito, Shingo","On-Surface Synthesis of a π-Extended Diaza[8]circulene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02534","","","0.71073","MoKα","","0.155","0.0864","","","0.2371","0.288","","","","","","1.028","","","","has coordinates,has disorder","252101","2020-10-21","18:00:00",""
"4134968","18.7383","0.0003","11.5764","0.0003","22.1767","0.0005","90","","93.211","0.002","90","","4803.06","0.18","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","PTZ","","- C33 H21 N3 S -","- C33 H21 N3 S -","- C264 H168 N24 S8 -","8","1","","Usui, Ryosuke; Yamamoto, Katsuya; Okajima, Hajime; Mutoh, Katsuya; Sakamoto, Akira; Abe, Jiro; Kobayashi, Yoichi","Photochromic Radical Complexes That Show Heterolytic Bond Dissociation.","Journal of the American Chemical Society","2020","142","22","10132","10142","10.1021/jacs.0c02739","","x-ray","0.71073","MoKα","","0.0698","0.0547","","","0.1433","0.1545","","","","","","1.063","","","","has coordinates","257110","2020-10-21","18:00:00",""
"4134969","6.8256","0.0004","12.4886","0.0008","14.5776","0.0009","92.607","0.005","93.237","0.005","105.501","0.005","1193.14","0.13","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H21 N3 O -","- C33 H21 N3 O -","- C66 H42 N6 O2 -","2","1","","Usui, Ryosuke; Yamamoto, Katsuya; Okajima, Hajime; Mutoh, Katsuya; Sakamoto, Akira; Abe, Jiro; Kobayashi, Yoichi","Photochromic Radical Complexes That Show Heterolytic Bond Dissociation.","Journal of the American Chemical Society","2020","142","22","10132","10142","10.1021/jacs.0c02739","","x-ray","0.71073","MoKα","","0.0808","0.0533","","","0.1471","0.168","","","","","","1.037","","","","has coordinates","257110","2020-10-21","18:00:00",""
"4134970","16.6921","0.0002","24.5705","0.0004","30.887","0.0004","74.761","0.001","85.289","0.001","73.432","0.001","11714.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C242 H172 B F20 N10 O22 Pd2 -","- C242 H172 B F20 N10 O22 Pd2 -","- C484 H344 B2 F40 N20 O44 Pd4 -","2","1","","Kishida, Natsuki; Matsumoto, Kyosuke; Tanaka, Yuya; Akita, Munetaka; Sakurai, Hidehiro; Yoshizawa, Michito","Anisotropic Contraction of a Polyaromatic Capsule and Its Cavity-Induced Compression Effect.","Journal of the American Chemical Society","2020","142","21","9599","9603","10.1021/jacs.0c02932","","x-ray","1.54184","CuKα","","0.1638","0.1442","","","0.4296","0.4471","","","","","","1.819","","","","has coordinates,has disorder","252612","2020-10-21","18:00:00",""
"4134971","5.7339","0.0006","46.854","0.005","6.9754","0.0007","90","","96.287","0.006","90","","1862.7","0.3","298.08","","298.08","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H12 Br F9 O2 S -","- C14 H12 Br F9 O2 S -","- C56 H48 Br4 F36 O8 S4 -","4","2","","Tu, Hai-Yong; Wang, Fang; Huo, Liping; Li, Yuanbo; Zhu, Shengqing; Zhao, Xian; Li, Huan; Qing, Feng-Ling; Chu, Lingling","Enantioselective Three-Component Fluoroalkylarylation of Unactivated Olefins through Nickel-Catalyzed Cross-Electrophile Coupling.","Journal of the American Chemical Society","2020","142","21","9604","9611","10.1021/jacs.0c03708","","","1.54178","CuKα","","0.0857","0.0599","","","0.1517","0.1694","","","","","","1.04","","","","has coordinates,has disorder","252616","2020-10-21","18:00:00",""
"4134972","12.8696","0.0002","12.8696","0.0002","27.1408","0.0006","90","","90","","120","","3892.99","0.12","123.15","","123.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C8 H5 Al0.333 F5 O0.333 P0.333 -","- C8 H5 Al0.333333 F5 O0.333333 P0.333333 -","- C144 H90 Al6 F90 O6 P6 -","18","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0309","0.0301","","","0.0778","0.0783","","","","","","1.0423","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134973","10.7445","0.0002","13.4502","0.0002","21.5779","0.0003","102.082","0.0014","99.1286","0.0014","109.539","0.0016","2783.81","0.09","123.15","","123.15","","","","","","","","","8","P -1","-P 1","2","","","","- C45 H46 Al Cu F15 N2 O2 P -","- C45 H46 Al Cu F15 N2 O2 P -","- C90 H92 Al2 Cu2 F30 N4 O4 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0437","0.0417","","","0.1177","0.1194","","","","","","1.0344","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134974","10.7379","0.0001","13.4792","0.0002","21.5394","0.0002","102.294","0.001","98.951","0.001","108.873","0.001","2796.08","0.06","123.15","","123.15","","","","","","","","","8","P -1","-P 1","2","","","","- C45 H48 Al Cu F15 N2 O2 P -","- C45 H48 Al Cu F15 N2 O2 P -","- C90 H96 Al2 Cu2 F30 N4 O4 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0456","0.0426","","","0.1218","0.1247","","","","","","1.0271","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134975","12.4894","0.0002","19.8533","0.0003","19.8687","0.0004","90","","104.524","0.002","90","","4769.12","0.15","123.15","","123.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H34 Al Cu F15 N2 O2 P -","- C39 H34 Al Cu F15 N2 O2 P -","- C156 H136 Al4 Cu4 F60 N8 O8 P4 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0513","0.0463","","","0.1293","0.1347","","","","","","1.0194","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134976","10.6515","0.0003","12.2115","0.0003","18.7731","0.0005","77.285","0.002","87.441","0.002","77.196","0.002","2322.7","0.11","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H45 Al F15 N2 O P -","- C48 H45 Al F15 N2 O P -","- C96 H90 Al2 F30 N4 O2 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","0.71073","MoKα","","0.0662","0.0507","","","0.1343","0.1431","","","","","","1.0251","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134977","10.7276","0.0003","12.1842","0.0003","18.7183","0.0005","77.186","0.002","87.431","0.002","77.69","0.002","2330.83","0.11","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H47 Al F15 N2 O P -","- C48 H47 Al F15 N2 O P -","- C96 H94 Al2 F30 N4 O2 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","0.71073","MoKα","","0.0661","0.0495","","","0.1292","0.1393","","","","","","1.0327","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134978","23.7593","0.0003","13.3807","0.0002","21.4965","0.0003","90","","90","","90","","6834.08","0.16","123.15","","123.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C62 H108 Cu2 N4 O6 P2 -","- C62 H108 Cu2 N4 O6 P2 -","- C248 H432 Cu8 N16 O24 P8 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0905","0.0805","","","0.2384","0.2845","","","","","","1.2656","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134979","10.478","0.0001","19.7596","0.0001","21.5187","0.0002","90","","103.503","0.001","90","","4332.1","0.06","123.15","","123.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 Al F15 N2 O P -","- C44 H40 Al F15 N2 O P -","- C176 H160 Al4 F60 N8 O4 P4 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0324","0.0307","","","0.0775","0.0786","","","","","","1.0385","","","","has coordinates,has disorder","252620","2020-10-21","18:00:00",""
"4134980","11.6018","0.0002","19.0189","0.0004","19.6291","0.0004","70.363","0.002","79.054","0.002","89.263","0.002","3999.03","0.15","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C78 H70 Al2 F30 N4 O2 P2 -","- C78 H70 Al2 F30 N4 O2 P2 -","- C156 H140 Al4 F60 N8 O4 P4 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0374","0.0334","","","0.087","0.0894","","","","","","1.045","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134981","19.1617","0.0002","19.1616","0.0002","38.3323","0.0004","90","","90","","90","","14074.4","0.3","123.15","","123.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H83 Al Cu F15 N4 O3 P2 -","- C68 H83 Al Cu F15 N4 O3 P2 -","- C544 H664 Al8 Cu8 F120 N32 O24 P16 -","8","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0506","0.041","","","0.1003","0.1054","","","","","","1.0415","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134982","13.1271","0.0013","29.4891","0.0016","13.6529","0.0012","90","","115.889","0.011","90","","4754.7","0.8","123.15","","123.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H41 Al Cu F15 N2 O -","- C50 H41 Al Cu F15 N2 O -","- C200 H164 Al4 Cu4 F60 N8 O4 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.1029","0.0768","","","0.1737","0.1888","","","","","","1.09","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134983","9.6259","0.0002","12.1938","0.0003","16.5765","0.0004","106.815","0.002","91.023","0.002","96.979","0.002","1845.82","0.08","123.15","","123.15","","","","","","","","","9","P -1","-P 1","2","","","","- C33 H34 Al Br Cu F10 N2 O2 P -","- C33 H34 Al Br Cu F10 N2 O2 P -","- C66 H68 Al2 Br2 Cu2 F20 N4 O4 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.028","0.0266","","","0.0678","0.0685","","","","","","1.0569","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134984","12.6447","0.0001","17.084","0.0001","13.2667","0.0001","90","","91.894","0.001","90","","2864.33","0.04","123.15","","123.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C46 H62 Al Br7 Cu4 N4 O2 P2 -","- C46 H62 Al Br7 Cu4 N4 O2 P2 -","- C92 H124 Al2 Br14 Cu8 N8 O4 P4 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.024","0.0235","","","0.0627","0.0635","","","","","","1.0429","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134985","7.0283","0.0016","16.024","0.004","12.874","0.003","90","","92.36","0.014","90","","1448.7","0.6","170","2","170.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cu F6 N2 -","- C13 H11 Cu F6 N2 -","- C52 H44 Cu4 F24 N8 -","4","1","","Liu, Shuanshuan; Liu, He; Liu, Shihan; Lu, Zehai; Lu, Changhui; Leng, Xuebing; Lan, Yu; Shen, Qilong","C(sp<sup>3</sup>)-CF<sub>3</sub> Reductive Elimination from a Five-Coordinate Neutral Copper(III) Complex.","Journal of the American Chemical Society","2020","142","21","9785","9791","10.1021/jacs.0c03304","","","1.34139","GaKα","","0.1349","0.08","","","0.1985","0.2318","","","","","","1.036","","","","has coordinates","252596","2020-10-21","18:00:00",""
"4134986","12.2651","0.0007","21.5126","0.0012","23.1911","0.0013","102.299","0.002","91.505","0.002","90.837","0.002","5975.3","0.6","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H78 F3 N6 O4 P S -","- C63 H78 F3 N6 O4 P S -","- C252 H312 F12 N24 O16 P4 S4 -","4","2","","Löwe, Pawel; Feldt, Milica; Wünsche, Marius A; Wilm, Lukas F. B.; Dielmann, Fabian","Oxophosphonium-Alkyne Cycloaddition Reactions: Reversible Formation of 1,2-Oxaphosphetes and Six-membered Phosphorus Heterocycles.","Journal of the American Chemical Society","2020","142","21","9818","9826","10.1021/jacs.0c03494","","","0.71073","MoKα","","0.0958","0.0823","","","0.1954","0.2043","","","","","","1.039","","","","has coordinates,has disorder","252597","2020-10-21","18:00:00",""
"4134987","14.4315","0.0009","33.871","0.002","19.0779","0.0011","90","","98.973","0.002","90","","9211.3","1","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H93 B F24 N7 O P -","- C96 H93 B F24 N7 O P -","- C384 H372 B4 F96 N28 O4 P4 -","4","1","","Löwe, Pawel; Feldt, Milica; Wünsche, Marius A; Wilm, Lukas F. B.; Dielmann, Fabian","Oxophosphonium-Alkyne Cycloaddition Reactions: Reversible Formation of 1,2-Oxaphosphetes and Six-membered Phosphorus Heterocycles.","Journal of the American Chemical Society","2020","142","21","9818","9826","10.1021/jacs.0c03494","","","0.71073","MoKα","","0.0842","0.0751","","","0.2072","0.2163","","","","","","1.027","","","","has coordinates,has disorder","252597","2020-10-21","18:00:00",""
"4134988","8.7026","0.0008","19.539","0.002","8.1692","0.0008","90","","90","","90","","1389.1","0.2","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H14 I3 N Pb -","- C6 H14 I3 N Pb -","- C24 H56 I12 N4 Pb4 -","4","0.25","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0545","0.038","","","0.1035","0.1111","","","","","","0.95","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134989","10.7896","0.0006","8.1584","0.0004","10.5876","0.0006","90","","90","","90","","931.98","0.09","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C6 H14 I N -","- C6 H14 I N -","- C24 H56 I4 N4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0523","0.0325","","","0.0932","0.1017","","","","","","1.044","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134990","27.464","0.009","6.5518","0.001","6.5518","0.001","90","","90","","90","","1178.9","0.5","423","2","423","2","","","","","","","","6","I m m 2","I 2 -2","44","","","","- C12 H24 F4 I4 N2 Pb -","- C12 H24 F4 I4 N2 Pb -","- C24 H48 F8 I8 N4 Pb2 -","2","0.25","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.2239","0.1715","","","0.4511","0.4769","","","","","","1.585","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134991","8.7688","0.0004","19.8584","0.0009","8.1528","0.0003","90","","90","","90","","1419.68","0.11","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H13 F I3 N Pb -","- C6 H13 F I3 N Pb -","- C24 H52 F4 I12 N4 Pb4 -","4","0.25","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0458","0.0361","","","0.0995","0.1046","","","","","","1.056","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134992","8.5418","0.0006","26.836","0.002","10.0432","0.0006","90","","90","","90","","2302.2","0.3","343","2","343","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C12 H24 F4 I4 N2 Pb -","- C12 H24 F4 I4 N2 Pb -","- C48 H96 F16 I16 N8 Pb4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0842","0.0706","","","0.2083","0.2233","","","","","","1.065","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134993","13.835","0.0014","9.9882","0.0007","8.5383","0.0008","90","","104.737","0.011","90","","1141.07","0.19","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H24 F4 I4 N2 Pb -","- C12 H24 F4 I4 N2 Pb -","- C24 H48 F8 I8 N4 Pb2 -","2","1","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0934","0.0721","","","0.1923","0.2031","","","","","","1.095","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134994","10.9328","0.0006","8.215","0.0005","10.4944","0.0005","90","","90","","90","","942.53","0.09","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C6 H12 F I N -","- C6 H12 F I N -","- C24 H48 F4 I4 N4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0531","0.0373","","","0.1216","0.1319","","","","","","1.117","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134995","10.3925","0.0008","8.0781","0.0006","23.3552","0.0019","90","","90","","90","","1960.7","0.3","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H12 F2 I N -","- C6 H12 F2 I N -","- C48 H96 F16 I8 N8 -","8","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0502","0.0355","","","0.0933","0.1017","","","","","","1.031","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134996","6.6369","0.0011","6.6369","0.0011","27.272","0.006","90","","90","","90","","1201.3","0.4","493","2","493","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- C6 F2 I4 N Pb -","- C6 F2 I4 N Pb -","- C12 F4 I8 N2 Pb2 -","2","0.125","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.425","0.1909","","","0.4486","0.5254","","","","","","1.174","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134997","17.6169","0.0004","15.2269","0.0004","29.4261","0.0006","90","","102.281","0.001","90","","7712.9","0.3","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C88 H96 O8 -","- C88 H96 O8 -","- C352 H384 O32 -","4","1","","Nogami, Juntaro; Tanaka, Yusuke; Sugiyama, Haruki; Uekusa, Hidehiro; Muranaka, Atsuya; Uchiyama, Masanobu; Tanaka, Ken","Enantioselective Synthesis of Planar Chiral Zigzag-Type Cyclophenylene Belts by Rhodium-Catalyzed Alkyne Cyclotrimerization.","Journal of the American Chemical Society","2020","142","21","9834","9842","10.1021/jacs.0c03684","","","1.54186","CuKα","","0.2105","0.1574","","","0.3985","0.4436","","","","","","1.34","","","","has coordinates,has disorder","252615","2020-10-21","18:00:00",""
"4134998","31.847","0.01","11.095","0.002","16.608","0.004","90","","93.41","0.015","90","","5858","3","99.99","","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H78 Br2 Fe2 P6 -","- C55 H78 Br2 Fe2 P6 -","- C220 H312 Br8 Fe8 P24 -","4","0.5","","Arnett, Charles H.; Agapie, Theodor","Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01896","","","1.54178","CuKα","","0.2344","0.1879","","","0.3848","0.4118","","","","","","1.072","","","","has coordinates,has disorder","252178","2020-10-21","18:00:00",""
"4134999","14.878","0.004","16.35","0.005","25.612","0.005","90","","90.577","0.015","90","","6230","3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C65 H100 Fe2 P6 -","- C65 H100 Fe2 P6 -","- C260 H400 Fe8 P24 -","4","0.5","","Arnett, Charles H.; Agapie, Theodor","Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01896","","","1.54178","CuKα","","0.0315","0.0296","","","0.0738","0.0749","","","","","","1.025","","","","has coordinates","252178","2020-10-21","18:00:00",""
"4135000","32.05","0.02","11.137","0.011","16.323","0.012","90","","94.19","0.03","90","","5811","8","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H80 Fe2 N4 P6 -","- C55 H80 Fe2 N4 P6 -","- C220 H320 Fe8 N16 P24 -","4","0.5","","Arnett, Charles H.; Agapie, Theodor","Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01896","","","0.71073","MoKα","","0.102","0.0801","","","0.1846","0.197","","","","","","1.077","","","","has coordinates,has disorder","252178","2020-10-21","18:00:00",""
"4135001","21.364","0.007","18.351","0.004","29.604","0.005","90","","90","","90","","11606","5","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H92 Fe2 N2 P6 -","- C60 H92 Fe2 N2 P6 -","- C480 H736 Fe16 N16 P48 -","8","1","","Arnett, Charles H.; Agapie, Theodor","Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01896","","","1.54178","CuKα","","0.0883","0.0703","","","0.1317","0.1406","","","","","","1.134","","","","has coordinates,has disorder","252178","2020-10-21","18:00:00",""
"4135002","18.123","0.003","17.599","0.003","18.209","0.002","90","","108.13","0.01","90","","5519.4","1.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H78 Fe2 N4 P6 -","- C55 H78 Fe2 N4 P6 -","- C220 H312 Fe8 N16 P24 -","4","1","","Arnett, Charles H.; Agapie, Theodor","Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01896","","","1.54178","CuKα","","0.0836","0.0633","","","0.1696","0.1868","","","","","","1.061","","","","has coordinates","252178","2020-10-21","18:00:00",""
"4135003","30.198","0.015","24.87","0.008","20.882","0.013","90","","112.32","0.03","90","","14508","13","100.01","","100.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H77 Cl Fe2 N2 P6 -","- C55 H77 Cl Fe2 N2 P6 -","- C440 H616 Cl8 Fe16 N16 P48 -","8","1","","Arnett, Charles H.; Agapie, Theodor","Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01896","","","1.54178","CuKα","","0.2311","0.1024","","","0.223","0.2889","","","","","","0.897","","","","has coordinates","252178","2020-10-21","18:00:00",""
"4135004","10.82397","0.00012","16.16979","0.00018","32.6888","0.0004","90","","96.6693","0.0011","90","","5682.52","0.11","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H80 B2 Li2 O9 -","- C64 H80 B2 Li2 O9 -","- C256 H320 B8 Li8 O36 -","4","1","","Sato, Yukiya; Nakamura, Kei; Sumida, Yuto; Hashizume, Daisuke; Hosoya, Takamitsu; Ohmiya, Hirohisa","Generation of Alkyl Radical through Direct Excitation of Boracene-Based Alkylborate.","Journal of the American Chemical Society","2020","142","22","9938","9943","10.1021/jacs.0c04456","","","0.71073","MoKα","","0.057","0.0456","","","0.1082","0.1152","","","","","","1.029","","","","has coordinates,has disorder","257108","2020-10-21","18:00:00",""
"4135005","13.1945","0.0013","10.7243","0.0011","15.7972","0.0014","90","","92.336","0.004","90","","2233.5","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 B10 -","- C20 H28 B10 -","- C80 H112 B40 -","4","1","","Baek, Yonghyeon; Cheong, Kiun; Ko, Gi Hoon; Han, Gi Uk; Han, Sang Hoon; Kim, Dongwook; Lee, Kooyeon; Lee, Phil Ho","Iridium-Catalyzed Cyclative Indenylation and Dienylation through Sequential B(4)-C Bond Formation, Cyclization, and Elimination from <i>o</i>-Carboranes and Propargyl Alcohols.","Journal of the American Chemical Society","2020","142","22","9890","9895","10.1021/jacs.0c02121","","","0.71073","MoKα","","0.1228","0.0921","","","0.1694","0.1823","","","","","","1.182","","","","has coordinates","257114","2020-10-21","18:00:00",""
"4135006","12.9222","0.0006","10.4623","0.0005","13.8208","0.0007","90","","94.9914","0.0016","90","","1861.43","0.16","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 B10 -","- C14 H24 B10 -","- C56 H96 B40 -","4","1","","Baek, Yonghyeon; Cheong, Kiun; Ko, Gi Hoon; Han, Gi Uk; Han, Sang Hoon; Kim, Dongwook; Lee, Kooyeon; Lee, Phil Ho","Iridium-Catalyzed Cyclative Indenylation and Dienylation through Sequential B(4)-C Bond Formation, Cyclization, and Elimination from <i>o</i>-Carboranes and Propargyl Alcohols.","Journal of the American Chemical Society","2020","142","22","9890","9895","10.1021/jacs.0c02121","","","0.71073","MoKα","","0.0928","0.0707","","","0.1694","0.1931","","","","","","1.123","","","","has coordinates,has disorder","257114","2020-10-21","18:00:00",""
"4135007","20.027","0.003","12.0453","0.0016","18.935","0.003","90","","90","","90","","4567.7","1.2","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H32 B10 -","- C18 H32 B10 -","- C144 H256 B80 -","8","2","","Baek, Yonghyeon; Cheong, Kiun; Ko, Gi Hoon; Han, Gi Uk; Han, Sang Hoon; Kim, Dongwook; Lee, Kooyeon; Lee, Phil Ho","Iridium-Catalyzed Cyclative Indenylation and Dienylation through Sequential B(4)-C Bond Formation, Cyclization, and Elimination from <i>o</i>-Carboranes and Propargyl Alcohols.","Journal of the American Chemical Society","2020","142","22","9890","9895","10.1021/jacs.0c02121","","","0.71073","MoKα","","0.0902","0.0728","","","0.1547","0.1658","","","","","","1.116","","","","has coordinates,has disorder","257114","2020-10-21","18:00:00",""
"4135008","10.3192","0.0004","13.6281","0.0006","25.6934","0.0014","90","","90","","90","","3613.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H34 N10 O10 -","- C39 H34 N10 O10 -","- C156 H136 N40 O40 -","4","1","","Shen, Jie; Ye, Ruijuan; Romanies, Alyssa; Roy, Arundhati; Chen, Feng; Ren, Changliang; Liu, Zhiwei; Zeng, Huaqiang","Aquafoldmer-Based Aquaporin-like Synthetic Water Channel.","Journal of the American Chemical Society","2020","142","22","10050","10058","10.1021/jacs.0c02013","","","0.71073","MoKα","","0.1397","0.0706","","","0.1228","0.153","","","","","","1.065","","","","has coordinates","257107","2020-10-21","18:00:00",""
"4135009","8.89","0.003","14.011","0.005","12.417","0.005","90","","96.911","0.008","90","","1535.4","1","205","","205","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Song, Bichao; Xie, Peipei; Li, Yingzi; Hao, Jiping; Wang, Lu; Chen, Xiangyang; Xu, Zhongliang; Quan, Haitian; Lou, Li-Guang; Xia, Yuanzhi; Houk, K. N.; Yang, Weibo","Pd-Catalyzed Decarboxylative Olefination: Stereoselective Synthesis of Polysubstituted Butadienes and Bioactive Macrocyclic Inhibitors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00078","","","0.71073","MoKα","","0.0646","0.0469","","","0.135","0.1499","","","","","","1.029","","","","has coordinates","252215","2020-10-21","18:00:00",""
"4135010","10.97","0.006","6.974","0.005","29.88","0.02","90","","95.82","0.02","90","","2274","3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O4 S -","- C25 H23 N O4 S -","- C100 H92 N4 O16 S4 -","4","1","","Song, Bichao; Xie, Peipei; Li, Yingzi; Hao, Jiping; Wang, Lu; Chen, Xiangyang; Xu, Zhongliang; Quan, Haitian; Lou, Li-Guang; Xia, Yuanzhi; Houk, K. N.; Yang, Weibo","Pd-Catalyzed Decarboxylative Olefination: Stereoselective Synthesis of Polysubstituted Butadienes and Bioactive Macrocyclic Inhibitors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00078","","","0.71073","MoKα","","0.1428","0.0903","","","0.2679","0.3088","","","","","","1.083","","","","has coordinates","252216","2020-10-21","18:00:00",""
"4135011","12.1998","0.0002","12.3637","0.0002","19.2246","0.0002","76.708","0.001","75.705","0.001","81.455","0.001","2721.69","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H70 Ir N2 O7 P Si6 -","- C46 H70 Ir N2 O7 P Si6 -","- C92 H140 Ir2 N4 O14 P2 Si12 -","2","1","","Karmel, Caleb; Hartwig, John F.","Mechanism of the Iridium-Catalyzed Silylation of Aromatic C-H Bonds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03301","","","0.71073","MoKα","","0.0343","0.0271","","","0.059","0.0609","","","","","","1.023","","","","has coordinates","252253","2020-10-21","18:00:00",""
"4135012","9.3332","0.0014","12.1683","0.0018","14.396","0.002","90","","90","","90","","1634.9","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 Br2 N2 Ni O2 -","- C12 H18 Br2 N2 Ni O2 -","- C48 H72 Br8 N8 Ni4 O8 -","4","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","0.71073","MoKα","","0.0418","0.0319","","","0.0619","0.0643","","","","","","0.965","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135013","14.2816","0.0013","14.9089","0.0012","26.853","0.002","90","","90","","90","","5717.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C61 H45 Cl9 O2 -","- C61 H45 Cl9 O2 -","- C244 H180 Cl36 O8 -","4","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","0.71073","MoKα","","0.1534","0.0803","","","0.2087","0.2688","","","","","","1.008","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135014","6.349","0.0003","8.618","0.0004","13.1236","0.0006","90","","103.89","0.001","90","","697.07","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C34 H32 N4 O2 -","2","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","1.54178","CuKα","","0.029","0.0287","","","0.0733","0.0738","","","","","","1.036","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135015","6.7225","0.0001","8.4948","0.0002","29.8034","0.0005","90","","90","","90","","1701.96","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C84 H88 N8 O4 -","4","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","1.54178","CuKα","","0.062","0.0597","","","0.1563","0.1608","","","","","","1.047","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135016","10.9629","0.0005","9.5777","0.0004","17.0234","0.0008","90","","108.478","0.001","90","","1695.3","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H31 Cl4 N4 Ni2 O2 -","- C34 H31 Cl4 N4 Ni2 O2 -","- C68 H62 Cl8 N8 Ni4 O4 -","2","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","0.71073","MoKα","","0.0311","0.0264","","","0.0585","0.0609","","","","","","1.042","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135017","11.0227","0.0003","18.3233","0.0005","12.8616","0.0003","90","","107.871","0.001","90","","2472.35","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H80 I2 Si12 -","- C32 H80 I2 Si12 -","- C64 H160 I4 Si24 -","2","0.5","","Nukazawa, Takumi; Iwamoto, Takeaki","An Isolable Tetrasilicon Analogue of a Planar Bicyclo[1.1.0]butane with π-Type Single-Bonding Character.","Journal of the American Chemical Society","2020","142","22","9920","9924","10.1021/jacs.0c03874","","","0.71073","MoKα","","0.0318","0.0235","","","0.0488","0.0523","","","","","","1.026","","","","has coordinates","257113","2020-10-21","18:00:00",""
"4135018","11.6852","0.0003","14.2348","0.0004","17.0541","0.0005","68.082","0.001","78.177","0.001","76.52","0.001","2537.24","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H80 I2 Si12 -","- C32 H80 I2 Si12 -","- C64 H160 I4 Si24 -","2","1","","Nukazawa, Takumi; Iwamoto, Takeaki","An Isolable Tetrasilicon Analogue of a Planar Bicyclo[1.1.0]butane with π-Type Single-Bonding Character.","Journal of the American Chemical Society","2020","142","22","9920","9924","10.1021/jacs.0c03874","","","0.71073","MoKα","","0.0464","0.0313","","","0.0618","0.0687","","","","","","1.013","","","","has coordinates","257113","2020-10-21","18:00:00",""
"4135019","13.4699","0.0005","13.6164","0.0006","20.1702","0.0009","90","","90","","90","","3699.4","0.3","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H32 Cl2 O4 -","- C51 H32 Cl2 O4 -","- C204 H128 Cl8 O16 -","4","1","","Yubuta, Ayaka; Hosokawa, Tomoka; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki; Tsurusaki, Akihiro; Kamikawa, Ken","Enantioselective Synthesis of Triple Helicenes by Cross-Cyclotrimerization of a Helicenyl Aryne and Alkynes via Dynamic Kinetic Resolution.","Journal of the American Chemical Society","2020","142","22","10025","10033","10.1021/jacs.0c01723","","","0.71075","MoKα","","0.0581","0.0561","","","0.1554","0.158","","","","","","1.025","","","","has coordinates","257109","2020-10-21","18:00:00",""
"4135020","13.9734","0.0008","17.3183","0.0009","21.9354","0.0011","67.158","0.002","77.272","0.003","68.459","0.002","4531.5","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C38.5 H73 Al N P2 Sc Si2 -","- C38.5 H73 Al N P2 Sc Si2 -","- C154 H292 Al4 N4 P8 Sc4 Si8 -","4","2","","Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02742","","","0.71073","MoKα","","0.0749","0.048","","","0.095","0.1063","","","","","","1.03","","","","has coordinates,has disorder","252322","2020-10-21","18:00:00",""
"4135021","39.405","0.007","11.884","0.002","24.015","0.004","90","","97.304","0.005","90","","11155","3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C117 H152 Al2 N2 P6 Sc2 -","- C117 H152 Al2 N2 P6 Sc2 -","- C468 H608 Al8 N8 P24 Sc8 -","4","0.5","","Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02742","","","0.71073","MoKα","","0.1975","0.0859","","","0.2097","0.2602","","","","","","1.031","","","","has coordinates,has disorder","252323","2020-10-21","18:00:00",""
"4135022","10.952","0.0006","14.0978","0.0008","27.7873","0.0015","90","","100.03","0.002","90","","4224.8","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H67 Al N P2 Sc Si2 -","- C36 H67 Al N P2 Sc Si2 -","- C144 H268 Al4 N4 P8 Sc4 Si8 -","4","1","","Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02742","","","0.71073","MoKα","","0.0389","0.0304","","","0.0691","0.0729","","","","","","1.028","","","","has coordinates","252324","2020-10-21","18:00:00",""
"4135023","16.6374","0.0007","17.6783","0.0007","33.7373","0.0014","90","","97.683","0.001","90","","9833.8","0.7","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H69 Al N P3 Sc -","- C51 H69 Al N P3 Sc -","- C408 H552 Al8 N8 P24 Sc8 -","8","2","","Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02742","","","0.71073","MoKα","","0.0736","0.053","","","0.1074","0.1153","","","","","","1.115","","","","has coordinates,has disorder","252325","2020-10-21","18:00:00",""
"4135024","12.5485","0.0005","12.7502","0.0005","15.2081","0.0006","83.649","0.002","86.788","0.002","85.681","0.002","2408.64","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H71 N P3 Sc -","- C51 H71 N P3 Sc -","- C102 H142 N2 P6 Sc2 -","2","1","","Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02742","","","0.71073","MoKα","","0.0686","0.0501","","","0.116","0.1269","","","","","","1.03","","","","has coordinates","252326","2020-10-21","18:00:00",""
"4135025","13.215","0.002","15.972","0.003","16.231","0.003","64.146","0.006","84.121","0.005","66.561","0.005","2818.1","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H84 N3 P2 Sc Si -","- C58 H84 N3 P2 Sc Si -","- C116 H168 N6 P4 Sc2 Si2 -","2","1","","Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02742","","","0.71073","MoKα","","0.0981","0.0579","","","0.1452","0.1652","","","","","","1.035","","","","has coordinates,has disorder","252327","2020-10-21","18:00:00",""
"4135026","12.969","0.002","14.092","0.002","14.336","0.002","83.145","0.006","79.087","0.006","87.572","0.006","2553.7","0.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H82 Al N4 P2 Sc Si2 -","- C46 H82 Al N4 P2 Sc Si2 -","- C92 H164 Al2 N8 P4 Sc2 Si4 -","2","1","","Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02742","","","0.71073","MoKα","","0.0574","0.0485","","","0.1301","0.138","","","","","","1.033","","","","has coordinates,has disorder","252328","2020-10-21","18:00:00",""
"4135027","8.3642","0.0004","22.4504","0.001","17.932","0.0008","90","","95.468","0.001","90","","3351.9","0.3","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 O2 P2 -","- C43 H32 O2 P2 -","- C172 H128 O8 P8 -","4","1","","Mackenzie, Harvey K.; Rawe, Benjamin W.; Samedov, Kerim; Walsgrove, Henry T. G.; Uva, Azalea; Han, Zeyu; Gates, Derek P.","A Smart Phosphine-Diyne Polymer Displays ""Turn-on"" Emission with a High Selectivity for Gold(I/III) Ions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04330","","","0.71073","MoKα","","0.0821","0.0567","","","0.1397","0.1504","","","","","","1.119","","","","has coordinates","252358","2020-10-21","18:00:00",""
"4135028","5.9827","0.0008","15.686","0.002","34.121","0.005","90","","90","","90","","3202.1","0.8","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C43 H32 P2 -","- C43 H32 P2 -","- C172 H128 P8 -","4","1","","Mackenzie, Harvey K.; Rawe, Benjamin W.; Samedov, Kerim; Walsgrove, Henry T. G.; Uva, Azalea; Han, Zeyu; Gates, Derek P.","A Smart Phosphine-Diyne Polymer Displays ""Turn-on"" Emission with a High Selectivity for Gold(I/III) Ions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04330","","","0.71073","MoKα","","0.0518","0.0461","","","0.106","0.1087","","","","","","1.081","","","","has coordinates","252359","2020-10-21","18:00:00",""
"4135029","29.6193","0.0019","11.3651","0.0007","12.908","0.0008","90","","103.804","0.002","90","","4219.7","0.5","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H32 Au2 Cl2 P2 -","- C43 H32 Au2 Cl2 P2 -","- C172 H128 Au8 Cl8 P8 -","4","0.5","","Mackenzie, Harvey K.; Rawe, Benjamin W.; Samedov, Kerim; Walsgrove, Henry T. G.; Uva, Azalea; Han, Zeyu; Gates, Derek P.","A Smart Phosphine-Diyne Polymer Displays ""Turn-on"" Emission with a High Selectivity for Gold(I/III) Ions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04330","","x-ray","0.71073","MoKα","","0.0341","0.025","","","0.0558","0.0586","","","","","","1.042","","","","has coordinates","252360","2020-10-21","18:00:00",""
"4135030","20.5852","0.0009","21.9306","0.0005","21.2989","0.0007","90","","118.6","0.005","90","","8442.1","0.6","99.98","0.13","99.98","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C132 H102 Br2 F48 N14 P8 -","- C132 H102 Br2 F48 N14 P8 -","- C264 H204 Br4 F96 N28 P16 -","2","0.5","","Liu, Wenqi; Stern, Charlotte L.; Stoddart, J. Fraser","Suit[4]ane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03408","","x-ray","0.71073","MoKα","","0.1297","0.1002","","","0.3196","0.3448","","","","","","1.294","","","","has coordinates,has disorder","252394","2020-10-21","18:00:00",""
"4135031","7.0794","0.0002","12.4486","0.0004","12.4689","0.0004","111.199","0.003","98.922","0.003","94.144","0.002","1002.24","0.06","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 F6 N4 P Pd -","- C22 H17 F6 N4 P Pd -","- C44 H34 F12 N8 P2 Pd2 -","2","1","","Zhou, Xue-Quan; Xiao, Ming; Vadde, Ramu; Hilgendorf, Jonathan; Li, Xuezhao; Papadopoulou, Panagiota; Siegler, Maxime A.; Kros, Alexander; Sun, Wen; Bonnet, Sylvestre","The self-assembly of a cyclometalated palladium photosensitizer into proteins-stabilized nanorods triggered drug uptake in vitro and in vivo.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01369","","","1.54178","CuKα","","0.0227","0.0203","","","0.0487","0.0492","","","","","","0.969","","","","has coordinates,has disorder","252395","2020-10-21","18:00:00",""
"4135032","8.7303","0.0003","9.6154","0.0003","13.7013","0.0005","77.129","0.003","76.604","0.003","83.396","0.003","1088.31","0.07","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 B2 F8 N5 Pd -","- C21 H17 B2 F8 N5 Pd -","- C42 H34 B4 F16 N10 Pd2 -","2","1","","Zhou, Xue-Quan; Xiao, Ming; Vadde, Ramu; Hilgendorf, Jonathan; Li, Xuezhao; Papadopoulou, Panagiota; Siegler, Maxime A.; Kros, Alexander; Sun, Wen; Bonnet, Sylvestre","The self-assembly of a cyclometalated palladium photosensitizer into proteins-stabilized nanorods triggered drug uptake in vitro and in vivo.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01369","","","0.71073","MoKα","","0.0449","0.0343","","","0.0666","0.0709","","","","","","1.062","","","","has coordinates","252396","2020-10-21","18:00:00",""
"4135033","7.13321","0.00015","12.3984","0.0003","12.5417","0.0003","111.159","0.002","95.1949","0.0018","100.328","0.002","1002.98","0.04","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 F6 N4 P Pd -","- C22 H17 F6 N4 P Pd -","- C44 H34 F12 N8 P2 Pd2 -","2","1","","Zhou, Xue-Quan; Xiao, Ming; Vadde, Ramu; Hilgendorf, Jonathan; Li, Xuezhao; Papadopoulou, Panagiota; Siegler, Maxime A.; Kros, Alexander; Sun, Wen; Bonnet, Sylvestre","The self-assembly of a cyclometalated palladium photosensitizer into proteins-stabilized nanorods triggered drug uptake in vitro and in vivo.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01369","","","0.71073","MoKα","","0.0281","0.0245","","","0.0533","0.0553","","","","","","1.055","","","","has coordinates,has disorder","252397","2020-10-21","18:00:00",""
"4135034","14.9867","0.0006","11.471","0.0005","24.2026","0.001","90","","104.365","0.001","90","","4030.6","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H31 Cl2 F6 I P2 Pd -","- C43 H31 Cl2 F6 I P2 Pd -","- C172 H124 Cl8 F24 I4 P8 Pd4 -","4","1","","Vasquez, Alena M.; Gurak, John A.; Joe, Candice; Cherney, Emily C.; Engle, Keary M.","Catalytic α-Hydroarylation of Acrylates and Acrylamides via an Interrupted Hydrodehalogenation Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03040","","x-ray","0.71073","MoKα","","0.0288","0.0239","","","0.0541","0.0565","","","","","","1.03","","","","has coordinates,has disorder","252442","2020-10-21","18:00:00",""
"4135035","6.5212","0.0003","11.9108","0.0006","27.1935","0.0011","90","","92.608","0.003","90","","2110.01","0.17","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3aa in manuscript","","","- C21 H30 B2 O5 -","- C21 H30 B2 O5 -","- C84 H120 B8 O20 -","4","1","","Zhang, Lumin; Si, Xiaojia; Rominger, Frank; Hashmi, A Stephen K","Visible-Light-Induced Radical Carbo-Cyclization/<i>gem</i>-Diborylation through Triplet Energy Transfer between a Gold Catalyst and Aryl Iodides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03197","","","1.54178","CuKα","","0.0886","0.0558","","","0.1412","0.1649","","","","","","1.028","","","","has coordinates","252443","2020-10-21","18:00:00",""
"4135036","7.6731","0.0002","14.8909","0.0004","15.3716","0.0005","90","","90","","90","","1756.35","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Cl3 N2 -","- C16 H19 Cl3 N2 -","- C64 H76 Cl12 N8 -","4","1","","Zhou, Mingkang; Li, Kaidi; Chen, Dongping; Xu, Ronghua; Xu, Guangqing; Tang, Wenjun","Enantioselective Reductive Coupling of Imines Templated by Chiral Diboron.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04558","","","0.71073","MoKα","","0.0483","0.0414","","","0.1084","0.1157","","","","","","1.067","","","","has coordinates","252500","2020-10-21","18:00:00",""
"4135037","5.0937","0.0003","10.171","0.0006","10.7742","0.0006","85.704","0.002","77.91","0.002","89.183","0.002","544.28","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H28 N2 O2 -","- C24 H28 N2 O2 -","- C24 H28 N2 O2 -","1","1","","Zhou, Mingkang; Li, Kaidi; Chen, Dongping; Xu, Ronghua; Xu, Guangqing; Tang, Wenjun","Enantioselective Reductive Coupling of Imines Templated by Chiral Diboron.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04558","","","1.54178","CuKα","","0.039","0.0378","","","0.1011","0.1027","","","","","","1.056","","","","has coordinates,has disorder","252501","2020-10-21","18:00:00",""
"4135038","12.8085","0.0001","60.9472","0.001","36.1921","0.0003","90","","98.539","0.001","90","","27939.9","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C236 H139 Cl10 Co5 N33 O40 S10 -","- C236 H136 Cl7 Co5 N33 O28 S10 -","- C944 H544 Cl28 Co20 N132 O112 S40 -","4","0.5","","Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.","An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03349","","","0.6889","Synchrotron","","0.1333","0.0909","","","0.3063","0.3339","","","","","","1.083","","","","has coordinates,has disorder","252507","2020-10-21","18:00:00",""
"4135039","14.9831","0.0001","24.4806","0.0002","40.1002","0.0002","83.35","0.001","88.867","0.001","85.895","0.001","14571.2","0.17","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C271 H173.5 Co5 F36 N39.5 O43.5 Re4 S22 -","- C267.8 H168.5 Co5 F26.4 N37.9 O37.1 Re4 S18.8 -","- C535.6 H337 Co10 F52.8 N75.8 O74.2 Re8 S37.6 -","2","1","","Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.","An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03349","","","0.6889","Synchrotron","","0.1287","0.0781","","","0.2366","0.2716","","","","","","0.984","","","","has coordinates,has disorder","252508","2020-10-21","18:00:00",""
"4135040","33.308","0.007","28.413","0.006","44.063","0.009","90","","110.98","0.03","90","","38936","16","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C382.5 H313.75 B10 Cu10 F40 N56.25 O2.5 S20 -","- C382.5 H297.85 B10 Cu10 F40 N56.25 O2.5 S20 -","- C1530 H1191.4 B40 Cu40 F160 N225 O10 S80 -","4","1","","Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.","An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03349","","","0.6889","Synchrotron","","0.1098","0.087","","","0.2677","0.2851","","","","","","1.01","","","","has coordinates,has disorder","252509","2020-10-21","18:00:00",""
"4135041","27.3964","0.0008","27.5891","0.0011","27.8154","0.0008","90.192","0.003","118.294","0.002","116.73","0.003","15894.8","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C301 H217.5 B10 Co5 F40 N50.5 O S10 -","- C301 H176 B10 Co5 F40 N50.5 O S10 -","- C602 H352 B20 Co10 F80 N101 O2 S20 -","2","1","","Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.","An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03349","","","0.6889","Synchrotron","","0.1524","0.1092","","","0.32","0.3466","","","","","","1.099","","","","has coordinates,has disorder","252510","2020-10-21","18:00:00",""
"4135042","12.7122","0.0003","60.0379","0.0011","36.2181","0.0005","90","","98.238","0.002","90","","27356.9","0.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C252 H163 B10 Co5 F40 N41 S10 -","- C252 H136 B8 Co5 F32 N41 S10 -","- C1008 H544 B32 Co20 F128 N164 S40 -","4","0.5","","Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.","An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03349","","","0.6889","Synchrotron","","0.1484","0.1131","","","0.3178","0.346","","","","","","1.081","","","","has coordinates,has disorder","252511","2020-10-21","18:00:00",""
"4135043","35.3596","0.0001","34.5841","0.0002","34.619","0.0001","90","","90","","90","","42334.9","0.3","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C398 H305 B10 Cu10 F40 N40 O4.5 S20 -","- C398 H305 B9 Cu10 F36 N40 O4.5 S20 -","- C1592 H1220 B36 Cu40 F144 N160 O18 S80 -","4","0.5","","Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.","An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03349","","","0.6889","Synchrotron","","0.116","0.0949","","","0.3027","0.3188","","","","","","1.087","","","","has coordinates,has disorder","252512","2020-10-21","18:00:00",""
"4135044","24.5549","0.0002","26.508","0.0003","47.3015","0.0005","90","","93.073","0.001","90","","30744.3","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C253 H161.5 B22 F48 N40.5 O32 S26 Zn5 -","- C242.2 H160 B24 F21.6 N36.1 O14.4 S17.2 Zn5 -","- C968.8 H640 B96 F86.4 N144.4 O57.6 S68.8 Zn20 -","4","1","","Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.","An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03349","","","0.6889","Synchrotron","","0.1878","0.1263","","","0.3435","0.3866","","","","","","1.121","","","","has coordinates,has disorder","252513","2020-10-21","18:00:00",""
"4135045","51.354","0.006","5.7125","0.0007","17.328","0.002","90","","93.198","0.004","90","","5075.4","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 N5 Ni -","- C28 H34 N5 Ni -","- C224 H272 N40 Ni8 -","8","1","","McNeece, Andrew J.; Jesse, Kate; Xie, Jiaze; Filatov, Alexander S.; Anderson, John S.","Generation and Oxidative Reactivity of a Ni(II) Superoxo Complex via Ligand-Based Redox Non-Innocence.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03244","","","0.71073","MoKα","","0.0851","0.0672","","","0.1602","0.1703","","","","","","1.078","","","","has coordinates,has disorder","252547","2020-10-21","18:00:00",""
"4135046","12.197","0.006","15.166","0.008","21.97","0.011","71.701","0.012","76.17","0.011","69.672","0.013","3579","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H68 F6 N10 Ni2 O6 S2 -","- C58 H68 F6 N10 Ni2 O6 S2 -","- C116 H136 F12 N20 Ni4 O12 S4 -","2","1","","McNeece, Andrew J.; Jesse, Kate; Xie, Jiaze; Filatov, Alexander S.; Anderson, John S.","Generation and Oxidative Reactivity of a Ni(II) Superoxo Complex via Ligand-Based Redox Non-Innocence.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03244","","","0.71073","MoKα","","0.1917","0.1592","","","0.3329","0.3534","","","","","","1.045","","","","has coordinates,has disorder","252548","2020-10-21","18:00:00",""
"4135047","26.1933","0.0004","14.6636","0.0002","20.6104","0.0003","90","","90","","90","","7916.2","0.2","249.99","0.1","249.99","0.1","","","","","","","","8","P n n a","-P 2a 2bc","52","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-cobalt bis(hexafluorophosphate) ethanol solvate","","- C69 H82 Br4 Co2 F12 N8 O7 P2 -","- C63 H64 Br4 Co2 F12 N8 O4 P2 -","- C252 H256 Br16 Co8 F48 N32 O16 P8 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.0666","0.0574","","","0.1842","0.1926","","","","","","1.119","","","","has coordinates,has disorder","252572","2020-10-21","18:00:00",""
"4135048","21.6","0.004","15","0.003","20.22","0.004","90","","90","","90","","6551","2","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris (2-pyridylmethyl)amine)-di-cobalt(III) bis(hexafluorophosphate) methanol solvate","","- C59.5 H62 Br4 Co2 F12 N8 O6.5 P2 -","- C57 H52 Br4 Co2 F12 N8 O4 P2 -","- C228 H208 Br16 Co8 F48 N32 O16 P8 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","0.710918","Synchrotron","","0.0873","0.0645","","","0.1975","0.2212","","","","","","1.079","","","","has coordinates,has disorder","252573","2020-10-21","18:00:00",""
"4135049","17.948","0.004","20.058","0.004","22.915","0.005","90","","90","","90","","8249","3","100","2","100","2","","","","","","","","8","I b a 2","I 2 -2c","45","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(bis(6-methyl-2-pyridylmethyl)(2-pyridylmethyl)amine)-di-cobalt(III) bis(hexafluorophosphate) 1,4-dioxane solvate","","- C79 H96 Br4 Co2 F12 N8 O13 P2 -","- C69 H76 Br4 Co2 F12 N8 O8 P2 -","- C276 H304 Br16 Co8 F48 N32 O32 P8 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","0.7109","Synchrotron","","0.0732","0.0669","","","0.1715","0.1795","","","","","","1.054","","","","has coordinates,has disorder","252574","2020-10-21","18:00:00",""
"4135050","18.36149","0.00017","7.57018","0.00007","22.8673","0.0002","90","","90","","90","","3178.55","0.05","130","0.1","130","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","""3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6' -tetraol diethyl ether solvate""","","- C29 H40 Br4 O6 -","- C29 H40 Br4 O6 -","- C116 H160 Br16 O24 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.0231","0.0227","","","0.0596","0.06","","","","","","1.107","","","","has coordinates","252575","2020-10-21","18:00:00",""
"4135051","9.474","0.0019","16.711","0.003","24.172","0.005","84.25","0.03","87.61","0.03","79.98","0.03","3748.4","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-zinc(II) bis(hexafluorophosphate) toluene solvate","","- C70 H72 Br4 F12 N8 O4 P2 Zn2 -","- C63 H64 Br4 F12 N8 O4 P2 Zn2 -","- C126 H128 Br8 F24 N16 O8 P4 Zn4 -","2","1","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","0.710756","Synchrotron","","0.0675","0.0585","","","0.1666","0.1763","","","","","","1.085","","","","has coordinates,has disorder","252576","2020-10-21","18:00:00",""
"4135052","26.0671","0.0003","14.5259","0.0002","20.4819","0.0003","90","","90","","90","","7755.43","0.18","200","0.1","200","0.1","","","","","","","","8","P n n a","-P 2a 2bc","52","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-cobalt bis(hexafluorophosphate) ethanol solvate","","- C68 H79 Br4 Co2 F12 N8 O6.5 P2 -","- C63 H64 Br4 Co2 F12 N8 O4 P2 -","- C252 H256 Br16 Co8 F48 N32 O16 P8 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.1021","0.0869","","","0.2723","0.2926","","","","","","1.116","","","","has coordinates,has disorder","252577","2020-10-21","18:00:00",""
"4135053","26.2505","0.0005","14.6662","0.0004","20.6389","0.0005","90","","90","","90","","7945.9","0.3","299.98","0.1","299.98","0.1","","","","","","","","8","P n n a","-P 2a 2bc","52","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-cobalt bis(hexafluorophosphate) ethanol solvate","","- C67 H76 Br4 Co2 F12 N8 O6 P2 -","- C63 H64 Br4 Co2 F11.988 N8 O4 P1.998 -","- C252 H256 Br16 Co8 F47.952 N32 O16 P7.992 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.0737","0.0621","","","0.1875","0.203","","","","","","1.056","","","","has coordinates,has disorder","252578","2020-10-21","18:00:00",""
"4135054","13.4672","0.0004","15.7188","0.0004","20.5224","0.0005","111.532","0.002","90.341","0.002","109.649","0.003","3764.1","0.2","130.01","0.1","130.01","0.1","","","","","","","","7","P 1","P 1","1","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris (2-pyridylmethyl)amine)-di-cobalt(III) bis(perchlorate) acetone solvate","","- C68.58 H75.16 Br4 Cl2 Co2 N8 O15.86 -","- C68.5815 H75.163 Br4 Cl2 Co2 N8 O15.8605 -","- C137.163 H150.326 Br8 Cl4 Co4 N16 O31.721 -","2","2","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.0401","0.0371","","","0.0958","0.098","","","","","","1.046","","","","has coordinates,has disorder","252579","2020-10-21","18:00:00",""
"4135055","26.024","0.0003","14.4389","0.0001","20.3551","0.0002","90","","90","","90","","7648.59","0.13","149.99","0.1","149.99","0.1","","","","","","","","8","P n n a","-P 2a 2bc","52","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-cobalt bis(hexafluorophosphate) ethanol solvate","","- C69 H82 Br4 Co2 F12 N8 O7 P2 -","- C63 H64 Br4 Co2 F11.988 N8 O4 P1.998 -","- C252 H256 Br16 Co8 F47.952 N32 O16 P7.992 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.1236","0.1097","","","0.3012","0.3139","","","","","","1.124","","","","has coordinates,has disorder","252580","2020-10-21","18:00:00",""
"4135056","20.821","0.004","23.729","0.005","15.968","0.003","90","","106.12","0.03","90","","7579","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-zinc(II) hexafluorophosphate toluene solvate","","- C77 H80 Br4 F6 N8 O4 P Zn2 -","- C63 H64 Br4 F6 N8 O4 P Zn2 -","- C252 H256 Br16 F24 N32 O16 P4 Zn8 -","4","1","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","0.710756","Synchrotron","","0.0995","0.0725","","","0.2032","0.2281","","","","","","0.927","","","","has coordinates,has disorder","252581","2020-10-21","18:00:00",""
"4135057","26.0119","0.0003","14.2861","0.0002","20.1208","0.0002","90","","90","","90","","7477.06","0.15","99.99","0.13","99.99","0.13","","","","","","","","8","P n n a","-P 2a 2bc","52","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-cobalt bis(hexafluorophosphate) ethanol solvate","","- C67 H76 Br4 Co2 F12 N8 O6 P2 -","- C63 H64 Br4 Co2 F12 N8 O4 P2 -","- C252 H256 Br16 Co8 F48 N32 O16 P8 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.081","0.0711","","","0.195","0.2029","","","","","","1.033","","","","has coordinates","252582","2020-10-21","18:00:00",""
"4135058","17.127","0.003","19.36","0.004","25.008","0.005","84.2","0.03","81.18","0.03","89.83","0.03","8151","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris (2-pyridylmethyl)amine)-di-cobalt(III) bis(perchlorate) acetone solvate","","- C78 H94 Br4 Cl2 Co2 N8 O19 -","- C57 H52 Br4 Cl2 Co2 N8 O12 -","- C228 H208 Br16 Cl8 Co8 N32 O48 -","4","2","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","0.7109","Synchrotron","","0.1021","0.0681","","","0.1815","0.1996","","","","","","1.019","","","","has coordinates,has disorder","252583","2020-10-21","18:00:00",""
"4135059","18.3116","0.0016","19.4359","0.0018","29.992","0.003","74.473","0.003","75.276","0.003","84.941","0.003","9944.6","1.6","206","2","205.82","","","","","","","","","4","P -1","-P 1","2","","","","- C168 H132 N12 S12 -","- C168 H132 N12 S12 -","- C336 H264 N24 S24 -","2","1","","Sun, Zhongwei; Li, Pan; Xu, Shijun; Li, Zi-Ying; Nomura, Yoshiaki; Li, Zimu; Liu, Xiaoyun; Zhang, Shaodong","Controlled Hierarchical Self-Assembly of Catenated Cages.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03330","","","1.34139","GaKα","","0.1332","0.1","","","0.2672","0.2876","","","","","","1.101","","","","has coordinates,has disorder","252649","2020-10-21","18:00:00",""
"4135060","70.5814","0.0019","15.2442","0.0004","41.8633","0.0011","90","","118.04","0.001","90","","39755.9","1.9","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C180 H168 N12 O3 S12 -","- C180 H168 N12 O3 S12 -","- C1440 H1344 N96 O24 S96 -","8","1","","Sun, Zhongwei; Li, Pan; Xu, Shijun; Li, Zi-Ying; Nomura, Yoshiaki; Li, Zimu; Liu, Xiaoyun; Zhang, Shaodong","Controlled Hierarchical Self-Assembly of Catenated Cages.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03330","","","1.34139","GaKα","","0.1643","0.1069","","","0.3125","0.3594","","","","","","1.043","","","","has coordinates","252650","2020-10-21","18:00:00",""
"4135061","10.3008","0.0008","10.3151","0.0009","13.5595","0.0014","94.497","0.008","103.341","0.007","119.914","0.006","1182.7","0.2","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 Ge N O2 -","- C29 H25 Ge N O2 -","- C58 H50 Ge2 N2 O4 -","2","1","","Debrauwer, Vincent; Turlik, Aneta; Rummler, Lénaic; Prescimone, Alessandro; Blanchard, Nicolas; Houk, K. N.; Bizet, Vincent","Ligand-Controlled Regiodivergent Palladium-Catalyzed Hydrogermylation of Ynamides.","Journal of the American Chemical Society","2020","142","25","11153","11164","10.1021/jacs.0c03556","","","1.34143","GaKα","","0.0511","0.0461","","0.064","0.0569","0.0583","","","","","","1.0623","","","","has coordinates","253726","2020-10-21","18:00:00",""
"4135062","20.0288","0.0008","14.5601","0.0007","18.7951","0.0008","90","","115.273","0.002","90","","4956.4","0.4","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Ge N O3 -","- C30 H27 Ge N O3 -","- C240 H216 Ge8 N8 O24 -","8","2","","Debrauwer, Vincent; Turlik, Aneta; Rummler, Lénaic; Prescimone, Alessandro; Blanchard, Nicolas; Houk, K. N.; Bizet, Vincent","Ligand-Controlled Regiodivergent Palladium-Catalyzed Hydrogermylation of Ynamides.","Journal of the American Chemical Society","2020","142","25","11153","11164","10.1021/jacs.0c03556","","x-ray","1.54178","CuKα","","0.0448","0.0391","","","0.0994","0.1034","","","","","","1.036","","","","has coordinates","253726","2020-10-21","18:00:00",""
"4135063","9.2732","0.0004","10.0269","0.0003","27.8796","0.001","90","","94.522","0.003","90","","2584.22","0.16","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 F3 Ge N O2 -","- C30 H24 F3 Ge N O2 -","- C120 H96 F12 Ge4 N4 O8 -","4","1","","Debrauwer, Vincent; Turlik, Aneta; Rummler, Lénaic; Prescimone, Alessandro; Blanchard, Nicolas; Houk, K. N.; Bizet, Vincent","Ligand-Controlled Regiodivergent Palladium-Catalyzed Hydrogermylation of Ynamides.","Journal of the American Chemical Society","2020","142","25","11153","11164","10.1021/jacs.0c03556","","","1.34143","GaKα","","0.073","0.0646","","0.0845","0.0782","0.0764","","","","","","1.0273","","","","has coordinates","253726","2020-10-21","18:00:00",""
"4135064","18.0288","0.0015","18.508","0.0014","22.4157","0.0015","113.701","0.007","90.846","0.007","114.996","0.008","6051.7","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Cl N2 Ni -","- C30 H28 Cl N2 Ni -","- C240 H224 Cl8 N16 Ni8 -","8","4","","Somerville, Rosie J.; Odena, Carlota; Obst, Marc F.; Hazari, Nilay; Hopmann, Kathrin H.; Martin, Ruben","Ni(I)-Alkyl Complexes Bearing Phenanthroline Ligands: Experimental Evidence for CO<sub>2</sub> Insertion at Ni(I) Centers.","Journal of the American Chemical Society","2020","142","25","10936","10941","10.1021/jacs.0c04695","","","0.71073","MoKα","","0.0799","0.0452","","","0.1058","0.1163","","","","","","0.986","","","","has coordinates","253725","2020-10-21","18:00:00",""
"4135065","9.8891","0.0016","21.524","0.003","14.62","0.002","90","","103.029","0.005","90","","3031.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Cl N2 Ni -","- C36 H40 Cl N2 Ni -","- C144 H160 Cl4 N8 Ni4 -","4","1","","Somerville, Rosie J.; Odena, Carlota; Obst, Marc F.; Hazari, Nilay; Hopmann, Kathrin H.; Martin, Ruben","Ni(I)-Alkyl Complexes Bearing Phenanthroline Ligands: Experimental Evidence for CO<sub>2</sub> Insertion at Ni(I) Centers.","Journal of the American Chemical Society","2020","142","25","10936","10941","10.1021/jacs.0c04695","","","0.71073","MoKα","","0.0935","0.0526","","","0.1148","0.1306","","","","","","1.032","","","","has coordinates","253725","2020-10-21","18:00:00",""
"4135066","11.0083","0.0006","32.4592","0.0017","8.8043","0.0005","90","","90.9405","0.0018","90","","3145.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H44 N2 Ni O0.5 -","- C37 H44 N2 Ni O0.5 -","- C148 H176 N8 Ni4 O2 -","4","1","","Somerville, Rosie J.; Odena, Carlota; Obst, Marc F.; Hazari, Nilay; Hopmann, Kathrin H.; Martin, Ruben","Ni(I)-Alkyl Complexes Bearing Phenanthroline Ligands: Experimental Evidence for CO<sub>2</sub> Insertion at Ni(I) Centers.","Journal of the American Chemical Society","2020","142","25","10936","10941","10.1021/jacs.0c04695","","","0.71073","MoKα","","0.0821","0.0521","","","0.109","0.1217","","","","","","1.055","","","","has coordinates,has disorder","253725","2020-10-21","18:00:00",""
"4135067","7.0969","0.0005","8.5411","0.0006","14.8555","0.0011","91.182","0.006","103.436","0.006","97.147","0.006","867.87","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 B2 -","- C10 H10 B2 -","- C40 H40 B8 -","4","2","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.0547","0.0475","","","0.1302","0.1351","","","","","","1.056","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135068","11.1648","0.0006","14.6132","0.001","17.7975","0.001","90","","99.81","0.004","90","","2861.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 B2 N4 -","- C28 H42 B2 N4 -","- C112 H168 B8 N16 -","4","1","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.0768","0.0558","","","0.1388","0.1491","","","","","","1.024","","","","has coordinates,has disorder","253180","2020-10-21","18:00:00",""
"4135069","8.0114","0.0004","20.4702","0.001","14.6659","0.0007","90","","102.299","0.004","90","","2349.9","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 B2 -","- C28 H30 B2 -","- C112 H120 B8 -","4","1","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.0686","0.0571","","","0.1248","0.1302","","","","","","1.146","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135070","8.8118","0.0008","24.1649","0.0018","11.803","0.0012","90","","108.54","0.008","90","","2382.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 B2 N -","- C28 H29 B2 N -","- C112 H116 B8 N4 -","4","1","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.1065","0.0747","","","0.1662","0.1826","","","","","","1.124","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135071","7.631","0.0004","17.0502","0.0009","19.5937","0.0008","90","","90","","90","","2549.3","0.2","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C29 H31 B2 N -","- C29 H31 B2 N -","- C116 H124 B8 N4 -","4","0.5","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.0698","0.0593","","","0.1279","0.1328","","","","","","1.179","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135072","8.7888","0.0005","24.0199","0.0012","11.8661","0.0007","90","","108.501","0.005","90","","2375.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 B2 O -","- C28 H28 B2 O -","- C112 H112 B8 O4 -","4","1","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.0835","0.0662","","","0.1415","0.1491","","","","","","1.199","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135073","7.4924","0.0009","9.6174","0.0012","11.9767","0.0016","95.305","0.011","101.49","0.01","103.923","0.01","811.88","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 Br2 N -","- C19 H15 Br2 N -","- C38 H30 Br4 N2 -","2","1","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.1105","0.0822","","","0.1612","0.1689","","","","","","1.382","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135074","11.4624","0.0006","33.3828","0.0016","7.3003","0.0004","90","","118.642","0.004","90","","2451.6","0.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H21 B2 Br2 N -","- C29 H21 B2 Br2 N -","- C116 H84 B8 Br8 N4 -","4","1","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.0401","0.0378","","","0.0964","0.0977","","","","","","1.039","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135075","13.7589","0.0007","14.0096","0.0009","20.7132","0.001","90","","90","","90","","3992.6","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H19 B2 N -","- C29 H19 B2 N -","- C232 H152 B16 N8 -","8","2","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.131","0.0884","","","0.1786","0.1999","","","","","","1.108","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135076","16.755","0.003","16.845","0.003","18.531","0.004","103.56","0.03","110.52","0.03","107.89","0.03","4304","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C152 H146 Au12 Cl4 N6 O2 P12 S4 -","- C152 H146 Au12 Cl4 N6 O2 P12 S4 -","- C152 H146 Au12 Cl4 N6 O2 P12 S4 -","1","0.5","","Yan, Liang-Liang; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Concentration- and Solvation-Induced Reversible Structural Transformation and Assembly of Polynuclear Gold(I) Sulfido Complexes.","Journal of the American Chemical Society","2020","142","26","11560","11568","10.1021/jacs.0c04677","","","0.82653","synchrotron","","0.0602","0.0599","","","0.1716","0.1721","","","","","","1.029","","","","has coordinates","253724","2020-10-21","18:00:00",""
"4135077","16.927","0.003","11.43","0.002","32.513","0.007","90","","99.02","0.03","90","","6213","2","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C104 H100 Au10 Cl10 N4 P8 S4 -","- C104 H100 Au10 Cl10 N4 P8 S4 -","- C208 H200 Au20 Cl20 N8 P16 S8 -","2","0.5","","Yan, Liang-Liang; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Concentration- and Solvation-Induced Reversible Structural Transformation and Assembly of Polynuclear Gold(I) Sulfido Complexes.","Journal of the American Chemical Society","2020","142","26","11560","11568","10.1021/jacs.0c04677","","","0.82653","synchrotron","","0.0617","0.0585","","","0.1748","0.1799","","","","","","1.06","","","","has coordinates","253724","2020-10-21","18:00:00",""
"4135078","32.431","0.005","32.431","0.005","24.806","0.005","90","","90","","90","","26090","8","100","2","100","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C104 H100 Au10 Cl2 N4 P8 S4 -","- C104 H100 Au10 Cl2 N4 P8 S4 -","- C832 H800 Au80 Cl16 N32 P64 S32 -","8","1","","Yan, Liang-Liang; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Concentration- and Solvation-Induced Reversible Structural Transformation and Assembly of Polynuclear Gold(I) Sulfido Complexes.","Journal of the American Chemical Society","2020","142","26","11560","11568","10.1021/jacs.0c04677","","","0.82657","synchrotron","","0.0703","0.0699","","","0.1844","0.185","","","","","","1.029","","","","has coordinates,has disorder","253724","2020-10-21","18:00:00",""
"4135079","16.539","0.003","33.236","0.007","14.185","0.003","90","","105.86","0.03","90","","7501","3","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C146 H134 Au12 Cl4 N6 O2 P12 S4 -","- C146 H134 Au12 Cl4 N6 O2 P12 S4 -","- C292 H268 Au24 Cl8 N12 O4 P24 S8 -","2","0.5","","Yan, Liang-Liang; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Concentration- and Solvation-Induced Reversible Structural Transformation and Assembly of Polynuclear Gold(I) Sulfido Complexes.","Journal of the American Chemical Society","2020","142","26","11560","11568","10.1021/jacs.0c04677","","","0.71073","synchrotron","","0.078","0.0779","","","0.1857","0.1859","","","","","","1.194","","","","has coordinates","253724","2020-10-21","18:00:00",""
"4135080","4.6691","0.0002","14.0872","0.0007","18.8945","0.001","81.134","0.004","86.917","0.004","85.816","0.004","1223.51","0.1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 N2 O4 S -","- C32 H26 N2 O4 S -","- C64 H52 N4 O8 S2 -","2","1","","Hayakawa, Sakiho; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi","Dinaphthothiepine Bisimide and Its Sulfoxide: Soluble Precursors for Perylene Bisimide.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04096","","","0.71075","MoKα","","0.1415","0.0691","","","0.1451","0.1835","","","","","","1.002","","","","has coordinates","253376","2020-10-21","18:00:00",""
"4135081","3.8643","0.0003","18.7063","0.0011","16.2605","0.001","90","","92.736","0.003","90","","1174.08","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O2.15 S0.85 -","- C12 H9 N3 O2.147 S0.853 -","- C48 H36 N12 O8.588 S3.412 -","4","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.34139","GaKα","","0.0899","0.0693","","","0.1815","0.1984","","","","","","1.122","","","","has coordinates,has disorder","253411","2020-10-21","18:00:00",""
"4135082","8.4024","0.0002","16.0107","0.0004","8.5218","0.0002","90","","90.787","0.001","90","","1146.32","0.05","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N3 O2.23 S0.76 -","- C12 H9 N3 O2.236 S0.764 -","- C48 H36 N12 O8.944 S3.056 -","4","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.54178","CuKα","","0.0335","0.0333","","","0.0859","0.0861","","","","","","1.138","","","","has coordinates,has disorder","253412","2020-10-21","18:00:00",""
"4135083","3.8603","0.0002","18.6172","0.001","16.3357","0.0009","90","","92.759","0.002","90","","1172.65","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O2.07 S0.93 -","- C12 H9 N3 O2.072 S0.928 -","- C48 H36 N12 O8.288 S3.712 -","4","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.34139","GaKα","","0.0484","0.0483","","","0.1186","0.1188","","","","","","1.148","","","","has coordinates,has disorder","253413","2020-10-21","18:00:00",""
"4135084","4.0133","0.0004","22.502","0.003","12.7868","0.0016","90","","95.858","0.006","90","","1148.7","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O2.6 S0.4 -","- C12 H9 N3 O2.598 S0.402 -","- C48 H36 N12 O10.392 S1.608 -","4","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.34139","GaKα","","0.1138","0.0896","","","0.2579","0.2833","","","","","","1.146","","","","has coordinates,has disorder","253414","2020-10-21","18:00:00",""
"4135085","4.0286","0.0003","23.2739","0.0016","12.5799","0.001","90","","96.504","0.005","90","","1171.92","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.54178","CuKα","","0.1426","0.0748","","","0.1733","0.226","","","","","","0.97","","","","has coordinates","253415","2020-10-21","18:00:00",""
"4135086","22.3314","0.0008","13.9004","0.0005","7.2164","0.0003","90","","90","","90","","2240.08","0.15","200","","200","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C96 H72 N24 O24 -","8","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.34139","GaKα","","0.0563","0.0555","","","0.1265","0.1276","","","","","","1.157","","","","has coordinates","253416","2020-10-21","18:00:00",""
"4135087","4.2017","0.0004","11.1768","0.001","14.222","0.0012","90","","95.403","0.005","90","","664.92","0.1","150","","150","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H8 Cl N3 O3 -","- C13 H8 Cl N3 O3 -","- C26 H16 Cl2 N6 O6 -","2","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.34139","GaKα","","0.0734","0.0601","","","0.1661","0.1808","","","","","","1.056","","","","has coordinates","253417","2020-10-21","18:00:00",""
"4135088","7.3803","0.0013","8.258","0.0011","20.722","0.003","89.248","0.009","88.452","0.012","63.458","0.009","1129.4","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C48 H36 N12 O12 -","4","2","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.54178","CuKα","","0.1069","0.0896","","","0.2334","0.2509","","","","","","1.013","","","","has coordinates","253418","2020-10-21","18:00:00",""
"4135089","3.9696","0.0008","22.591","0.005","12.705","0.002","90","","97.231","0.014","90","","1130.3","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.54178","CuKα","","0.1062","0.0856","","","0.2109","0.2272","","","","","","1.043","","","","has coordinates","253419","2020-10-21","18:00:00",""
"4135090","3.952","0.004","21.87","0.016","12.864","0.012","90","","95.6","0.04","90","","1106.5","1.7","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C48 H36 N12 O12 -","4","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.54178","CuKα","","0.1458","0.0813","","","0.1977","0.2328","","","","","","1","","","","has coordinates","253420","2020-10-21","18:00:00",""
"4135091","23.2603","0.001","6.8371","0.0003","14.6629","0.0006","90","","112.324","0.001","90","","2157.11","0.16","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C96 H72 N24 O24 -","8","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.54178","CuKα","","0.0381","0.0368","","","0.096","0.1001","","","","","","1.052","","","","has coordinates","253421","2020-10-21","18:00:00",""
"4135092","5.1612","0.0003","30.938","0.002","9.7231","0.0006","90","","91.905","0.003","90","","1551.7","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H48.67 N O10.33 -","- C30.9999 H48.6664 N O10.3333 -","- C61.9998 H97.3328 N2 O20.6666 -","2","1","","Li, Qiuhan; Levi, Samuel; Jacobsen, Eric N.","Highly Selective β-Mannosylations and β-Rhamnosylations Catalyzed by a Bis-thiourea.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04255","","","1.54178","CuKα","","0.0337","0.0332","","","0.0896","0.0904","","","","","","1.091","","","","has coordinates,has disorder","253484","2020-10-21","18:00:00",""
"4135093","6.4201","0.0002","10.7569","0.0003","19.4267","0.0006","90","","93.2719","0.0016","90","","1339.43","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","2","","Li, Qiuhan; Levi, Samuel; Jacobsen, Eric N.","Highly Selective β-Mannosylations and β-Rhamnosylations Catalyzed by a Bis-thiourea.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04255","","","1.54178","CuKα","","0.0322","0.0315","","","0.0854","0.0857","","","","","","1.045","","","","has coordinates","253485","2020-10-21","18:00:00",""
"4135094","9.0039","0.0006","10.8077","0.0007","13.3414","0.0009","94.3829","0.0015","92.6065","0.0014","105.41","0.0013","1245.01","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","HS1","","","- C19 H43 N Si4 -","- C19 H43 N Si4 -","- C38 H86 N2 Si8 -","2","1","","Sakai, Holt A.; Liu, Wei; Le, Chi Chip; MacMillan, David W. C.","Cross-Electrophile Coupling of Unactivated Alkyl Chlorides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04812","","","0.71073","MoKα","","0.0468","0.0345","","","0.0842","0.0903","","","","","","1.032","","","","has coordinates","253531","2020-10-21","18:00:00",""
"4135095","6.2063","0.001","8.2335","0.0013","18.476","0.003","90","","98.177","0.009","90","","934.5","0.3","170","2","170.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 Br Si -","- C20 H23 Br Si -","- C40 H46 Br2 Si2 -","2","1","","Fu, Liang; Zhang, Zhihan; Chen, Pinhong; Lin, Zhenyang; Liu, Guosheng","Enantioselective Copper-Catalyzed Alkynylation of Benzylic C-H Bonds via Radical Relay.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05373","","","1.34139","GaKα","","0.1007","0.0841","","","0.209","0.2314","","","","","","1.122","","","","has coordinates","253634","2020-10-21","18:00:00",""
"4135096","9.7177","0.0004","10.0431","0.0005","22.0386","0.001","90","","90","","90","","2150.88","0.17","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N4 O3 S -","- C22 H20 N4 O3 S -","- C88 H80 N16 O12 S4 -","4","1","","Fu, Liang; Zhang, Zhihan; Chen, Pinhong; Lin, Zhenyang; Liu, Guosheng","Enantioselective Copper-Catalyzed Alkynylation of Benzylic C-H Bonds via Radical Relay.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05373","","","0.71073","MoKα","","0.0559","0.0431","","","0.1017","0.1118","","","","","","1.059","","","","has coordinates","253635","2020-10-21","18:00:00",""
"4135097","9.5614","0.0002","26.9394","0.0005","7.325","0.0001","90","","90","","90","","1886.76","0.06","170","2","169.97","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N S Si -","- C20 H21 N S Si -","- C80 H84 N4 S4 Si4 -","4","1","","Fu, Liang; Zhang, Zhihan; Chen, Pinhong; Lin, Zhenyang; Liu, Guosheng","Enantioselective Copper-Catalyzed Alkynylation of Benzylic C-H Bonds via Radical Relay.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05373","","","1.34139","GaKα","","0.0472","0.0391","","","0.0798","0.0833","","","","","","1.092","","","","has coordinates","253636","2020-10-21","18:00:00",""
"4135098","34.0184","0.0007","26.2564","0.0006","21.7846","0.0005","90","","90","","90","","19458","0.7","170.15","","170.15","","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C120 H220 Au28 S20 -","- C120 H220 Au28 S20 -","- C480 H880 Au112 S80 -","4","0.25","","Xia, Nan; Yuan, Jinyun; Liao, Lingwen; Zhang, Wenhao; Li, Jin; Deng, Haiteng; Yang, Jinlong; Wu, Zhikun","Structural Oscillation Revealed in Gold Nanoparticles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02117","","","1.34139","GaKα","","0.1112","0.0879","","","0.2179","0.2368","","","","","","1.012","","","","has coordinates","253637","2020-10-21","18:00:00",""
"4135099","31.7979","0.0013","18.4577","0.0007","26.0404","0.0011","90","","94.017","0.002","90","","15246","1.1","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C100 H180 Au28 S20 -","- C100 H180 Au28 S20 -","- C400 H720 Au112 S80 -","4","0.5","","Xia, Nan; Yuan, Jinyun; Liao, Lingwen; Zhang, Wenhao; Li, Jin; Deng, Haiteng; Yang, Jinlong; Wu, Zhikun","Structural Oscillation Revealed in Gold Nanoparticles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02117","","","1.34139","GaKα","","0.1184","0.1046","","","0.2646","0.2812","","","","","","1.134","","","","has coordinates,has disorder","253638","2020-10-21","18:00:00",""
"4135100","61.4081","0.0005","11.47738","0.00011","22.2013","0.0002","90","","93.3428","0.0008","90","","15620.9","0.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C135 H247 Cu4 N33 O17 -","- C135 H247 Cu4 N33 O17 -","- C540 H988 Cu16 N132 O68 -","4","0.5","","Wu, Tong; MacMillan, Samantha N.; Rajabimoghadam, Khashayar; Siegler, Maxime A.; Lancaster, Kyle M.; Garcia-Bosch, Isaac","Structure, spectroscopy and reactivity of a mononuclear copper hydroxide complex in three molecular oxidation states.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03867","","","1.54178","CuKα","","0.0432","0.0424","","","0.1186","0.1193","","","","","","1.024","","","","has coordinates,has disorder","253668","2020-10-21","18:00:00",""
"4135101","14.423","0.003","28.903","0.006","31.726","0.006","90","","90","","90","","13226","5","127.15","","127.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C134 H128 O18 P4 Rh2 -","- C134 H128 O18 P4 Rh2 -","- C536 H512 O72 P16 Rh8 -","4","1","","Yang, Liang-Liang; Evans, Declan; Xu, Bin; Li, Wen-Tao; Li, Mao-Lin; Zhu, Shou-Fei; Houk, K. N.; Zhou, Qi-Lin","Enantioselective Diarylcarbene Insertion into Si-H Bonds Induced by Electronic Properties of the Carbenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04725","","","0.71073","MoKα","","0.1192","0.1017","","","0.2024","0.2163","","","","","","1.125","","","","has coordinates","253669","2020-10-21","18:00:00",""
"4135102","9.952","0.002","19.926","0.004","10.453","0.002","90","","90.6","0.03","90","","2072.8","0.7","113","2","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H21 N O2 Si -","- C23 H21 N O2 Si -","- C92 H84 N4 O8 Si4 -","4","2","","Yang, Liang-Liang; Evans, Declan; Xu, Bin; Li, Wen-Tao; Li, Mao-Lin; Zhu, Shou-Fei; Houk, K. N.; Zhou, Qi-Lin","Enantioselective Diarylcarbene Insertion into Si-H Bonds Induced by Electronic Properties of the Carbenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04725","","","0.71073","MoKα","","0.0912","0.0763","","","0.1955","0.2095","","","","","","1.078","","","","has coordinates","253670","2020-10-21","18:00:00",""
"4135103","13.1217","0.0003","7.9281","0.0002","14.9286","0.0004","90","","97.444","0.001","90","","1539.94","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F9 H6 K5 Mo3 O7 -","- F9 H6 K5 Mo3 O7 -","- F36 H24 K20 Mo12 O28 -","4","1","","Ding, Fenghua; Griffith, Kent J.; Koçer, Can P; Saballos, Richard; Wang, Yiran; Zhang, Chi; Nisbet, Matthew L.; Morris, Andrew J.; Rondinelli, James M.; Poeppelmeier, Kenneth R.","Multimodal Structure Solution with <sup>19</sup>F NMR Crystallography of Spin Singlet Molybdenum Oxyfluorides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04019","","","0.71073","MoKα","","0.0196","0.0187","","","0.0482","0.0489","","","","","","1.063","","","","has coordinates","253671","2020-10-21","18:00:00",""
"4135104","7.4246","0.0004","12.0849","0.0005","16.0856","0.0008","90","","91.596","0.002","90","","1442.73","0.12","100","2","99.92","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F9 H4 K5 Mo3 O6 -","- F9 H4 K5 Mo3 O6 -","- F36 H16 K20 Mo12 O24 -","4","1","","Ding, Fenghua; Griffith, Kent J.; Koçer, Can P; Saballos, Richard; Wang, Yiran; Zhang, Chi; Nisbet, Matthew L.; Morris, Andrew J.; Rondinelli, James M.; Poeppelmeier, Kenneth R.","Multimodal Structure Solution with <sup>19</sup>F NMR Crystallography of Spin Singlet Molybdenum Oxyfluorides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04019","","","0.71073","MoKα","","0.0249","0.0187","","","0.037","0.0386","","","","","","1.033","","","","has coordinates","253671","2020-10-21","18:00:00",""
"4135105","6.31509","0.00009","24.7024","0.0003","14.59723","0.00018","90","","94.6464","0.0012","90","","2269.65","0.05","100","","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F36 H4 K16 Mo6 O10 Ti3 -","- F36 H4 K16 Mo6 O10 Ti3 -","- F72 H8 K32 Mo12 O20 Ti6 -","2","0.5","","Ding, Fenghua; Griffith, Kent J.; Koçer, Can P; Saballos, Richard; Wang, Yiran; Zhang, Chi; Nisbet, Matthew L.; Morris, Andrew J.; Rondinelli, James M.; Poeppelmeier, Kenneth R.","Multimodal Structure Solution with <sup>19</sup>F NMR Crystallography of Spin Singlet Molybdenum Oxyfluorides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04019","","","0.71073","MoKα","","0.0191","0.0173","","","0.0377","0.0383","","","","","","1.062","","","","has coordinates","253671","2020-10-21","18:00:00",""
"4135106","6.3368","0.0001","24.8645","0.0002","14.7128","0.0001","90","","94.419","0.001","90","","2311.28","0.04","296.1","0.3","296.1","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F36 H4 K16 Mo6 O10 Ti3 -","- F36 H4 K16 Mo6 O10 Ti3 -","- F72 H8 K32 Mo12 O20 Ti6 -","2","0.5","","Ding, Fenghua; Griffith, Kent J.; Koçer, Can P; Saballos, Richard; Wang, Yiran; Zhang, Chi; Nisbet, Matthew L.; Morris, Andrew J.; Rondinelli, James M.; Poeppelmeier, Kenneth R.","Multimodal Structure Solution with <sup>19</sup>F NMR Crystallography of Spin Singlet Molybdenum Oxyfluorides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04019","","x-ray","0.71073","MoKα","","0.0216","0.0189","","","0.041","0.0418","","","","","","1.058","","","","has coordinates","253671","2020-10-21","18:00:00",""
"4135107","11.485","0.0003","11.79","0.0003","12.1794","0.0003","107.588","0.002","92.5269","0.0019","101.528","0.0019","1530.72","0.07","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C45.5 H32 Cl -","- C45.5 H32 Cl -","- C91 H64 Cl2 -","2","1","","Li, Yuanming; Segawa, Yasutomo; Yagi, Akiko; Itami, Kenichiro","A Nonalternant Aromatic Belt: Methylene-Bridged [6]Cycloparaphenylene Synthesized from Pillar[6]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06007","","x-ray","0.71073","MoKα","","0.0903","0.0582","","","0.1543","0.1702","","","","","","1.056","","","","has coordinates,has disorder","254188","2020-10-21","18:00:00",""
"4135108","23.196","0.004","23.143","0.005","16.933","0.003","90","","117.36","0.004","90","","8073","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H84 N8 Ni2 O16 -","- C72 H76 N8 Ni2 O16 -","- C288 H304 N32 Ni8 O64 -","4","1","","Mao, Kaihui; Zhang, Jinlei; Guo, Zijing; Liu, Lizhe; Ma, He; Chin, Yiying; Lin, Hong-Ji; Bao, Songsong; Xie, Hangqing; Yang, Run; Jing, Zhaoyang; Shen, Jiancang; Yuan, Guoliang; Chen, Jian; Wu, Peiheng; Wu, Xinglong","Constructing Asymmetrical Ni-Centered {NiN2O4} Octahedra in Layered Metal-Organic Structures for Near-Room-Temperature Single-Phase Magnetoelectricity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05845","","","0.71073","MoKα","","0.0932","0.0714","","","0.1793","0.1941","","","","","","1.017","","","","has coordinates","254189","2020-10-21","18:00:00",""
"4135109","23.205","0.008","23.187","0.008","16.965","0.005","90","","117.28","0.007","90","","8113","5","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H84 N8 Ni2 O16 -","- C72 H76 N8 Ni2 O16 -","- C288 H304 N32 Ni8 O64 -","4","1","","Mao, Kaihui; Zhang, Jinlei; Guo, Zijing; Liu, Lizhe; Ma, He; Chin, Yiying; Lin, Hong-Ji; Bao, Songsong; Xie, Hangqing; Yang, Run; Jing, Zhaoyang; Shen, Jiancang; Yuan, Guoliang; Chen, Jian; Wu, Peiheng; Wu, Xinglong","Constructing Asymmetrical Ni-Centered {NiN2O4} Octahedra in Layered Metal-Organic Structures for Near-Room-Temperature Single-Phase Magnetoelectricity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05845","","","0.71073","MoKα","","0.1503","0.0817","","","0.1938","0.2375","","","","","","1.005","","","","has coordinates","254190","2020-10-21","18:00:00",""
"4135110","23.256","0.006","23.214","0.006","17.011","0.004","90","","116.955","0.007","90","","8186","4","250","2","250","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H84 N8 Ni2 O16 -","- C72 H76 N8 Ni2 O16 -","- C288 H304 N32 Ni8 O64 -","4","1","","Mao, Kaihui; Zhang, Jinlei; Guo, Zijing; Liu, Lizhe; Ma, He; Chin, Yiying; Lin, Hong-Ji; Bao, Songsong; Xie, Hangqing; Yang, Run; Jing, Zhaoyang; Shen, Jiancang; Yuan, Guoliang; Chen, Jian; Wu, Peiheng; Wu, Xinglong","Constructing Asymmetrical Ni-Centered {NiN2O4} Octahedra in Layered Metal-Organic Structures for Near-Room-Temperature Single-Phase Magnetoelectricity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05845","","","0.71073","MoKα","","0.1685","0.0941","","","0.2098","0.246","","","","","","1.02","","","","has coordinates","254191","2020-10-21","18:00:00",""
"4135111","23.292","0.008","23.257","0.008","16.959","0.006","90","","117.11","0.007","90","","8177","5","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H84 N8 Ni2 O16 -","- C72 H76 N8 Ni2 O16 -","- C288 H304 N32 Ni8 O64 -","4","1","","Mao, Kaihui; Zhang, Jinlei; Guo, Zijing; Liu, Lizhe; Ma, He; Chin, Yiying; Lin, Hong-Ji; Bao, Songsong; Xie, Hangqing; Yang, Run; Jing, Zhaoyang; Shen, Jiancang; Yuan, Guoliang; Chen, Jian; Wu, Peiheng; Wu, Xinglong","Constructing Asymmetrical Ni-Centered {NiN2O4} Octahedra in Layered Metal-Organic Structures for Near-Room-Temperature Single-Phase Magnetoelectricity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05845","","","0.71073","MoKα","","0.1266","0.0827","","","0.2043","0.2428","","","","","","1.036","","","","has coordinates","254192","2020-10-21","18:00:00",""
"4135112","28.055","0.0013","7.0673","0.0006","7.8774","0.0005","90","","90","","90","","1561.88","0.18","150","","150","","","","","","","","","4","C m c 21","C 2c -2","36","2","","","- C17 H16 N4 O2 -","- C17 H16 N4 O2 -","- C68 H64 N16 O8 -","4","0.5","","Faghani, Abbas; Gholami, Mohammad Fardin; Trunk, Matthias; Müller, Johannes; Pachfule, Pradip; Vogl, Sarah; Donskyi, Ievgen; Nickl, Philip; Shao, Jingjing; Huang, Michael R. S.; Unger, Wolfgang E. S.; Arenal, Raul; Koch, Christoph T.; Paulus, Beate; Rabe, Jürgen P; Thomas, Arne; Haag, Rainer; Adeli, Mohsen","Metal-Assisted and Solvent-Mediated Synthesis of Two-Dimensional Triazine Structures on Gram Scale.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02399","","","1.54184","CuKα","","0.0546","0.0468","","","0.1293","0.1376","","","","","","1.042","","","","has coordinates","254317","2020-10-21","18:00:00",""
"4135113","12.7314","0.0008","14.6585","0.0008","15.0308","0.0011","90","","102.22","0.007","90","","2741.5","0.3","298","","298","","","","","","","","","5","C 1 2 1","C 2y","5","1","","","- C30 H21 Cl2 N6 O4 -","- C30 H21 Cl2 N6 O4 -","- C120 H84 Cl8 N24 O16 -","4","1","","Faghani, Abbas; Gholami, Mohammad Fardin; Trunk, Matthias; Müller, Johannes; Pachfule, Pradip; Vogl, Sarah; Donskyi, Ievgen; Nickl, Philip; Shao, Jingjing; Huang, Michael R. S.; Unger, Wolfgang E. S.; Arenal, Raul; Koch, Christoph T.; Paulus, Beate; Rabe, Jürgen P; Thomas, Arne; Haag, Rainer; Adeli, Mohsen","Metal-Assisted and Solvent-Mediated Synthesis of Two-Dimensional Triazine Structures on Gram Scale.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02399","","","1.54184","CuKα","","0.2213","0.1583","","","0.4739","0.5385","","","","","","1.59","","","","has coordinates","254318","2020-10-21","18:00:00",""
"4135114","21.6885","0.0016","13.647","0.004","12.5084","0.0011","90","","90","","90","","3702.3","1.2","150","","150","","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- C18 Br6 -","- C18 Br6 -","- C144 Br48 -","8","0.5","","Scriven, Lorel M.; Kaiser, Katharina; Schulz, Fabian; Sterling, Alistair J.; Woltering, Steffen L.; Gawel, Przemyslaw; Christensen, Kirsten E.; Anderson, Harry L.; Gross, Leo","Synthesis of Cyclo[18]carbon via Debromination of C<sub>18</sub>Br<sub>6</sub>.","Journal of the American Chemical Society","2020","142","30","12921","12924","10.1021/jacs.0c05033","","","1.54184","CuKα","","0.2032","0.1297","","0.372","0.2958","0.372","","","","","","0.9687","","","","has coordinates","257120","2020-10-21","18:00:00",""
"4135115","9.666","0.002","13.466","0.004","18.476","0.005","90","","90","","90","","2404.9","1.1","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H41 Fe O P3 -","- C20 H41 Fe O P3 -","- C80 H164 Fe4 O4 P12 -","4","0.5","","Messinis, Antonis M.; Finger, Lars H.; Hu, Lianrui; Ackermann, Lutz","Allenes for Versatile Iron-Catalyzed C-H Activation by Weak O-Coordination: Mechanistic Insights by Kinetics, Intermediate Isolation, and Computation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04837","","","0.71073","MoKα","","0.029","0.0242","","","0.0603","0.0625","","","","","","1.087","","","","has coordinates,has disorder","254355","2020-10-21","18:00:00",""
"4135116","10.626","0.011","19.78","0.02","12.823","0.014","90","","99.803","0.011","90","","2656","5","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C56 H58 O18 -","- C56 H58 O18 -","- C112 H116 O36 -","2","1","","Fujino, Haruka; Fukuda, Takumi; Nagatomo, Masanori; Inoue, Masayuki","Convergent Total Synthesis of Hikizimycin Enabled by Intermolecular Radical Addition to Aldehyde.","Journal of the American Chemical Society","2020","142","30","13227","13234","10.1021/jacs.0c06354","","","0.71075","MoKα","","0.0927","0.0764","","","0.15","0.1639","","","","","","1.06","","","","has coordinates","257119","2020-10-21","18:00:00",""
"4135117","9.4563","0.0004","10.1865","0.0005","17.3631","0.0008","98.128","0.002","93.544","0.002","102.231","0.002","1610.85","0.13","125","2","125","2","","","","","","","","5","P -1","-P 1","2","tBuXphosAuC6H3F2","","","- C35 H48 Au F2 P -","- C35 H48 Au F2 P -","- C70 H96 Au2 F4 P2 -","2","1","","Daley, Ryan A.; Morrenzin, Aaron S.; Neufeldt, Sharon R.; Topczewski, Joseph J.","Gold Catalyzed Decarboxylative Cross-Coupling of Iodoarenes.","Journal of the American Chemical Society","2020","142","30","13210","13218","10.1021/jacs.0c06244","","","0.71073","MoKα","","0.03","0.0245","","","0.0544","0.0567","","","","","","1.043","","","","has coordinates","257118","2020-10-21","18:00:00",""
"4135118","8.7684","0.0005","11.8623","0.0007","12.2989","0.0007","89.239","0.003","77.878","0.002","77.626","0.002","1221","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 Co N3 O -","- C27 H34 Co N3 O -","- C54 H68 Co2 N6 O2 -","2","1","","Kwon, Yubin M.; Lee, Yuri; Evenson, Garrett E.; Jackson, Timothy A.; Wang, Dong","Crystal Structure and C-H Bond Cleaving Reactivity of a Mononuclear Co<sup>IV</sup>-dinitrate Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04368","","x-ray","0.71073","MoKα","","0.065","0.0484","","","0.1376","0.1481","","","","","","1.041","","","","has coordinates","254438","2020-10-21","18:00:00",""
"4135119","7.9985","0.0005","19.2252","0.0011","17.3541","0.0009","90","","99.346","0.002","90","","2633.2","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Co N5 O6 -","- C27 H33 Co N5 O6 -","- C108 H132 Co4 N20 O24 -","4","1","","Kwon, Yubin M.; Lee, Yuri; Evenson, Garrett E.; Jackson, Timothy A.; Wang, Dong","Crystal Structure and C-H Bond Cleaving Reactivity of a Mononuclear Co<sup>IV</sup>-dinitrate Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04368","","x-ray","0.71073","MoKα","","0.0654","0.0422","","","0.0798","0.0862","","","","","","1.043","","","","has coordinates","254439","2020-10-21","18:00:00",""
"4135120","36.2527","0.0018","10.9071","0.0005","30.0533","0.0015","90","","116.434","0.001","90","","10641","0.9","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27.5 H34 Cl Co N4 O3 -","- C27.5 H34 Cl Co N4 O3 -","- C440 H544 Cl16 Co16 N64 O48 -","16","2","","Kwon, Yubin M.; Lee, Yuri; Evenson, Garrett E.; Jackson, Timothy A.; Wang, Dong","Crystal Structure and C-H Bond Cleaving Reactivity of a Mononuclear Co<sup>IV</sup>-dinitrate Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04368","","x-ray","0.71073","MoKα","","0.0689","0.0463","","","0.1099","0.1201","","","","","","1.087","","","","has coordinates","254440","2020-10-21","18:00:00",""
"4135121","15.7192","0.0004","15.9825","0.0004","16.7031","0.0003","107.799","0.002","96.824","0.002","112.746","0.002","3547.99","0.17","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C84 H172 Cu4 K4 N12 O28 Pb18 -","- C83.42 H170.84 Cu4 K4 N12 O28 Pb18 -","- C83.42 H170.84 Cu4 K4 N12 O28 Pb18 -","1","0.5","","Lei, Qiao; Zhang, Chao; Shu, Cong-Cong; Morgan, Harry; McGrady, John E.; Sun, Zhong-Ming","[Cu4@E18]4- (E=Sn, Pb): Fused Derivatives of Endohedral Stannaspherene and Plumbaspherene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04815","","","1.54178","CuKα","","0.056","0.052","","","0.1461","0.1493","","","","","","1.067","","","","has coordinates,has disorder","254625","2020-10-21","18:00:00",""
"4135122","15.6801","0.0003","15.8817","0.0003","16.6035","0.0003","107.945","0.002","96.88","0.001","112.688","0.002","3492.49","0.14","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C84 H172 Cu4 K4 N12 O28 Sn18 -","- C84 H172 Cu4 K4 N12 O28 Sn18 -","- C84 H172 Cu4 K4 N12 O28 Sn18 -","1","0.5","","Lei, Qiao; Zhang, Chao; Shu, Cong-Cong; Morgan, Harry; McGrady, John E.; Sun, Zhong-Ming","[Cu4@E18]4- (E=Sn, Pb): Fused Derivatives of Endohedral Stannaspherene and Plumbaspherene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04815","","x-ray","1.54184","CuKα","","0.054","0.0466","","","0.1266","0.1317","","","","","","1.053","","","","has coordinates,has disorder","254626","2020-10-21","18:00:00",""
"4135123","32.9819","0.0004","32.9819","0.0004","9.9569","0.0002","90","","90","","90","","10831.2","0.3","100","","293","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C153 H94 Cu2 N4 O42 -","- C156 H80 Cu2 N4 O42 -","- C312 H160 Cu4 N8 O84 -","2","0.125","","Haase, Frederik; Craig, Gavin A.; Bonneau, Mickaele; Sugimoto, Kunihisa; Furukawa, Shuhei","A pseudo five-fold symmetrical ligand drives geometric frustration in porous metal-organic and hydrogen bonded frameworks.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04450","","x-ray","0.71073","MoKα","","0.0918","0.08","","","0.2408","0.2532","","","","","","1.039","","","","has coordinates,has disorder","254682","2020-10-21","18:00:00",""
"4135124","24.473","0.0006","27.0553","0.0004","20.237","0.0005","90","","113.928","0.003","90","","12247.8","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C454 H486 Cu16 N34 O128 -","- C454 H494 Cu16 N34 O128 -","- C454 H494 Cu16 N34 O128 -","1","0.125","","Haase, Frederik; Craig, Gavin A.; Bonneau, Mickaele; Sugimoto, Kunihisa; Furukawa, Shuhei","A pseudo five-fold symmetrical ligand drives geometric frustration in porous metal-organic and hydrogen bonded frameworks.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04450","","x-ray","0.71073","MoKα","","0.0883","0.0773","","","0.2333","0.2458","","","","","","1.041","","","","has coordinates,has disorder","254683","2020-10-21","18:00:00",""
"4135125","28.6889","0.0003","21.166","0.0002","14.4751","0.0002","90","","90","","90","","8789.7","0.17","100","","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H23 Cu2 N O10 -","- C39 H20 Cu2 N O12 -","- C312 H160 Cu16 N8 O96 -","8","2","","Haase, Frederik; Craig, Gavin A.; Bonneau, Mickaele; Sugimoto, Kunihisa; Furukawa, Shuhei","A pseudo five-fold symmetrical ligand drives geometric frustration in porous metal-organic and hydrogen bonded frameworks.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04450","","x-ray","0.71073","MoKα","","0.0715","0.0564","","","0.1555","0.168","","","","","","1.041","","","","has coordinates,has disorder","254684","2020-10-21","18:00:00",""
"4135126","18.5763","0.0007","19.8786","0.0008","20.7652","0.0007","116.547","0.004","103.456","0.003","104.134","0.004","6113.7","0.6","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C240 H264 Cl2 Cu32 P2 S24 -","- C240 H264 Cl2 Cu32 P2 S24 -","- C240 H264 Cl2 Cu32 P2 S24 -","1","0.5","","Lee, Sanghwa; Bootharaju, Megalamane S.; Deng, Guocheng; Malola, Sami; Baek, Woonhyuk; Häkkinen, Hannu; Zheng, Nanfeng; Hyeon, Taeghwan","[Cu32(PET)24H8Cl2](PPh4)2: A Copper Hydride Nanocluster with a Bisquare Antiprismatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06577","","x-ray","1.54184","CuKα","","0.2482","0.1726","","","0.4704","0.6203","","","","","","1.282","","","","has coordinates,has disorder","254705","2020-10-21","18:00:00",""
"4135127","9.1818","0.0013","9.8124","0.0007","14.8937","0.0009","105.663","0.006","98.138","0.009","105.425","0.01","1212.1","0.2","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H32 N2 O3 -","- C27 H32 N2 O3 -","- C54 H64 N4 O6 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.07","0.052","","","0.1384","0.1552","","","","","","1.032","","","","has coordinates,has disorder","254792","2020-10-21","18:00:00",""
"4135128","14.4748","0.0005","10.1278","0.0003","16.7654","0.0006","90","","108.018","0.004","90","","2337.24","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 N2 O5 -","- C25 H32 N2 O5 -","- C100 H128 N8 O20 -","4","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","0.71073","MoKα","","0.0671","0.0414","","","0.0974","0.1023","","","","","","0.966","","","","has coordinates","254793","2020-10-21","18:00:00",""
"4135129","7.28461","0.00018","8.30644","0.00017","11.231","0.0003","90","","107.116","0.003","90","","649.48","0.03","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C30 H36 N4 O2 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0239","0.0239","","","0.0623","0.0624","","","","","","1.057","","","","has coordinates","254794","2020-10-21","18:00:00",""
"4135130","9.1569","0.0002","30.0858","0.0007","9.35117","0.00019","90","","98.262","0.002","90","","2549.44","0.1","140","0.1","140","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 N2 O5 -","- C28 H36 N2 O5 -","- C112 H144 N8 O20 -","4","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0483","0.0408","","","0.1017","0.1065","","","","","","1.081","","","","has coordinates,has disorder","254795","2020-10-21","18:00:00",""
"4135131","10.583","0.0003","22.1488","0.0006","7.6644","0.0002","90","","91.898","0.003","90","","1795.56","0.08","139.99","0.1","139.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N2 O3 -","- C20 H26 N2 O3 -","- C80 H104 N8 O12 -","4","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","0.71073","MoKα","","0.0569","0.0439","","","0.1092","0.1183","","","","","","1.023","","","","has coordinates","254796","2020-10-21","18:00:00",""
"4135132","7.5941","0.001","11.684","0.003","11.764","0.003","91.79","0.017","97.291","0.019","102.179","0.017","1010.3","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 F3 N2 O3 -","- C19 H21 F3 N2 O3 -","- C38 H42 F6 N4 O6 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","","0.71073","MoKα","","0.1338","0.0741","","","0.1818","0.2212","","","","","","1.045","","","","has coordinates,has disorder","254797","2020-10-21","18:00:00",""
"4135133","16.496","0.001","6.8584","0.0005","12.8051","0.0008","90","","94.605","0.006","90","","1444.04","0.16","140.01","0.1","140.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C60 H88 N8 O12 -","4","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0889","0.0638","","","0.1572","0.1798","","","","","","1.035","","","","has coordinates","254798","2020-10-21","18:00:00",""
"4135134","7.4352","0.0007","11.778","0.002","11.8822","0.0012","83.102","0.011","89.166","0.008","76.743","0.011","1005.4","0.2","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N2 O3 -","- C22 H28 N2 O3 -","- C44 H56 N4 O6 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0981","0.0785","","","0.2172","0.2395","","","","","","1.033","","","","has coordinates","254799","2020-10-21","18:00:00",""
"4135135","11.5067","0.0004","11.7673","0.0004","15.5305","0.0005","102.988","0.003","97.945","0.003","96.625","0.003","2005.91","0.12","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 I N2 O3 -","- C20 H25 I N2 O3 -","- C80 H100 I4 N8 O12 -","4","2","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0327","0.0315","","","0.0836","0.0846","","","","","","1.031","","","","has coordinates","254800","2020-10-21","18:00:00",""
"4135136","8.3248","0.0002","10.4978","0.0003","14.7652","0.0005","84.564","0.003","87.962","0.003","74.981","0.003","1240.6","0.07","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 N2 O5 -","- C25 H34 N2 O5 -","- C50 H68 N4 O10 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.042","0.0353","","","0.0898","0.0945","","","","","","1.038","","","","has coordinates","254801","2020-10-21","18:00:00",""
"4135137","13.313","0.011","16.775","0.014","11.29","0.003","90","","108.53","0.06","90","","2391","3","139.99","0.1","139.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 N2 O5 -","- C25 H34 N2 O5 -","- C100 H136 N8 O20 -","4","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.2593","0.1427","","","0.2924","0.3554","","","","","","0.938","","","","has coordinates","254802","2020-10-21","18:00:00",""
"4135138","6.93221","0.00011","7.41652","0.00012","13.7616","0.0003","90","","92.0002","0.0016","90","","707.09","0.02","139.9","0.4","139.9","0.4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C36 H40 N4 O2 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0313","0.0308","","","0.084","0.0847","","","","","","1.047","","","","has coordinates","254803","2020-10-21","18:00:00",""
"4135139","7.4744","0.0003","9.0004","0.0003","9.4211","0.0003","90","","93.445","0.003","90","","632.64","0.04","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C30 H36 N4 O4 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0357","0.0323","","","0.0803","0.0828","","","","","","1.051","","","","has coordinates","254804","2020-10-21","18:00:00",""
"4135140","8.4594","0.0004","17.1371","0.0012","33.46","0.002","90","","90","","90","","4850.7","0.5","140","0.1","140","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H32 N2 O6 Si -","- C24 H32 N2 O6 Si -","- C192 H256 N16 O48 Si8 -","8","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.1285","0.065","","","0.1529","0.1952","","","","","","1.029","","","","has coordinates","254805","2020-10-21","18:00:00",""
"4135141","8.46","0.0003","13.8649","0.0004","15.5724","0.0005","105.814","0.003","97.712","0.003","90.105","0.003","1740.15","0.1","163","","163","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H28 B2 F8 N2 O2 -","- C42 H28 B2 F8 N2 O2 -","- C84 H56 B4 F16 N4 O4 -","2","1","","Karimi, Mohammadjavad; Borthakur, Rosmita; Dorsey, Christopher L.; Chen, Chang-Hong; Lajeune, Sébastien; Gabbai, Francois P.","Bifunctional carbenium dications as metal-free catalysts for the reduction of oxygen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04841","","x-ray","0.71073","MoKα","","0.0805","0.0789","","","0.1513","0.1521","","","","","","1.002","","","","has coordinates","254806","2020-10-21","18:00:00",""
"4135142","18.1316","0.0012","9.3794","0.0008","23.3395","0.0016","90","","92.688","0.006","90","","3964.8","0.5","163","","163","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H41 B2 F8 N O4 -","- C47 H41 B2 F8 N O4 -","- C188 H164 B8 F32 N4 O16 -","4","1","","Karimi, Mohammadjavad; Borthakur, Rosmita; Dorsey, Christopher L.; Chen, Chang-Hong; Lajeune, Sébastien; Gabbai, Francois P.","Bifunctional carbenium dications as metal-free catalysts for the reduction of oxygen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04841","","x-ray","1.54184","CuKα","","0.1496","0.1056","","","0.25","0.2827","","","","","","1.002","","","","has coordinates","254807","2020-10-21","18:00:00",""
"4135143","9.9804","0.0001","8.616","0.0001","12.822","0.0001","90","","102.111","0.0012","90","","1078.04","0.019","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H29 Cl F N O -","- C25 H29 Cl F N O -","- C50 H58 Cl2 F2 N2 O2 -","2","1","","Roagna, Giulia; Ascough, David M. H.; Ibba, Francesco; Vicini, Anna Chiara; Fontana, Alberto; Christensen, Kirsten E.; Peschiulli, Aldo; Oehlrich, Daniel; Misale, Antonio; Trabanco, Andrés A; Paton, Robert S.; Pupo, Gabriele; Gouverneur, Veronique","Hydrogen Bonding Phase-Transfer Catalysis with Ionic Reactants: Enantioselective Synthesis of γ-Fluoroamines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05131","","","1.54184","CuKα","","0.0268","0.0265","","0.0706","0.07","0.0706","","","","","","0.9949","","","","has coordinates","254839","2020-10-21","18:00:00",""
"4135144","9.9504","0.0001","10.5265","0.0001","23.7547","0.0004","90","","90","","90","","2488.14","0.05","300","","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 Cl F N -","- C11 H17 Cl F N -","- C88 H136 Cl8 F8 N8 -","8","2","","Roagna, Giulia; Ascough, David M. H.; Ibba, Francesco; Vicini, Anna Chiara; Fontana, Alberto; Christensen, Kirsten E.; Peschiulli, Aldo; Oehlrich, Daniel; Misale, Antonio; Trabanco, Andrés A; Paton, Robert S.; Pupo, Gabriele; Gouverneur, Veronique","Hydrogen Bonding Phase-Transfer Catalysis with Ionic Reactants: Enantioselective Synthesis of γ-Fluoroamines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05131","","","1.54184","CuKα","","0.0382","0.0343","","0.0997","0.0944","0.0997","","","","","","1.0011","","","","has coordinates,has disorder","254839","2020-10-21","18:00:00",""
"4135145","25.93","0.003","25.93","0.003","17.8","0.004","90","","90","","120","","10365","3","100","2","100","2","","","","","","","","5","P 6 2 2","P 6 2","177","","","","- C62 H52 N4 Ni O2 -","- C62 H52 N4 Ni O2 -","- C372 H312 N24 Ni6 O12 -","6","0.5","","Wen, Qiang; Tenenholtz, Shira; Shimon, Linda J. W.; Bar-Elli, Omri; Beck, Lior; Houben, Lothar; Cohen, Sidney R.; Feldman, Yishay; Oron, Dan; Lahav, Michal; van der Boom, Milko E.","Chiral and SHG-Active Metal-Organic Frameworks Formed in Solution and on Surfaces: Uniformity, Morphology Control, Oriented Growth, and Post-assembly Functionalization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05384","","","0.7","synchrotron","","0.1036","0.0872","","","0.2467","0.2644","","","","","","1.009","","","","has coordinates","255125","2020-10-21","18:00:00",""
"4135146","13.6468","0.0009","13.6468","0.0009","7.0913","0.0004","90","","90","","90","","1320.65","0.14","100","2","100","2","","","","","","","","3","P -4","P -4","81","","","","- C62 H52 N4 -","- C62 H52 N4 -","- C62 H52 N4 -","1","0.25","","Wen, Qiang; Tenenholtz, Shira; Shimon, Linda J. W.; Bar-Elli, Omri; Beck, Lior; Houben, Lothar; Cohen, Sidney R.; Feldman, Yishay; Oron, Dan; Lahav, Michal; van der Boom, Milko E.","Chiral and SHG-Active Metal-Organic Frameworks Formed in Solution and on Surfaces: Uniformity, Morphology Control, Oriented Growth, and Post-assembly Functionalization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05384","","","0.71073","MoKα","","0.0832","0.0572","","","0.1452","0.1617","","","","","","0.907","","","","has coordinates,has disorder","255126","2020-10-21","18:00:00",""
"4135147","25.8466","0.0008","25.8466","0.0008","18.0005","0.0004","90","","90","","120","","10414.1","0.5","100","2","100","2","","","","","","","","5","P 6 2 2","P 6 2","177","","","","- C62 H52 Br2 N4 Ni -","- C62 H52 Br2 N4 Ni -","- C372 H312 Br12 N24 Ni6 -","6","0.5","","Wen, Qiang; Tenenholtz, Shira; Shimon, Linda J. W.; Bar-Elli, Omri; Beck, Lior; Houben, Lothar; Cohen, Sidney R.; Feldman, Yishay; Oron, Dan; Lahav, Michal; van der Boom, Milko E.","Chiral and SHG-Active Metal-Organic Frameworks Formed in Solution and on Surfaces: Uniformity, Morphology Control, Oriented Growth, and Post-assembly Functionalization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05384","","","1.54184","CuKα","","0.098","0.0901","","","0.2482","0.2583","","","","","","1.15","","","","has coordinates","255127","2020-10-21","18:00:00",""
"4135148","25.912","0.0008","25.912","0.0008","17.7714","0.0004","90","","90","","120","","10333.7","0.5","100","2","100","2","","","","","","","","5","P 6 2 2","P 6 2","177","","","","- C62 H52 Cl2 N4 Ni -","- C62 H52 Cl2 N4 Ni -","- C372 H312 Cl12 N24 Ni6 -","6","0.5","","Wen, Qiang; Tenenholtz, Shira; Shimon, Linda J. W.; Bar-Elli, Omri; Beck, Lior; Houben, Lothar; Cohen, Sidney R.; Feldman, Yishay; Oron, Dan; Lahav, Michal; van der Boom, Milko E.","Chiral and SHG-Active Metal-Organic Frameworks Formed in Solution and on Surfaces: Uniformity, Morphology Control, Oriented Growth, and Post-assembly Functionalization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05384","","","1.54184","CuKα","","0.1054","0.0796","","","0.2159","0.2354","","","","","","1.002","","","","has coordinates,has disorder","255128","2020-10-21","18:00:00",""
"4135149","25.738","0.0018","25.738","0.0018","17.9031","0.001","90","","90","","120","","10270.9","1.2","100","2","100","2","","","","","","","","5","P 6 2 2","P 6 2","177","","","","- C62 H52 N4 Ni O2 -","- C62 H52 N4 Ni O2 -","- C372 H312 N24 Ni6 O12 -","6","0.5","","Wen, Qiang; Tenenholtz, Shira; Shimon, Linda J. W.; Bar-Elli, Omri; Beck, Lior; Houben, Lothar; Cohen, Sidney R.; Feldman, Yishay; Oron, Dan; Lahav, Michal; van der Boom, Milko E.","Chiral and SHG-Active Metal-Organic Frameworks Formed in Solution and on Surfaces: Uniformity, Morphology Control, Oriented Growth, and Post-assembly Functionalization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05384","","","1.54184","CuKα","","0.1124","0.1031","","","0.295","0.3052","","","","","","1.293","","","","has coordinates","255129","2020-10-21","18:00:00",""
"4135150","13.1368","0.0004","13.5686","0.0005","23.9919","0.0008","103.984","0.001","90.546","0.001","102.001","0.001","4051","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C79.34 H96.02 F3 Fe4 N6 O4.66 S5 -","- C79.34 H96.02 F3 Fe4 N6 O4.66 S5 -","- C158.68 H192.04 F6 Fe8 N12 O9.32 S10 -","2","1","","Brown, Alexandra C.; Suess, Daniel L. M.","Reversible Formation of Alkyl Radicals at [Fe<sub>4</sub>S<sub>4</sub>] Clusters and Its Implications for Selectivity in Radical SAM Enzymes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05590","","","0.71073","MoKα","","0.0416","0.0345","","","0.0861","0.0913","","","","","","0.998","","","","has coordinates,has disorder","255130","2020-10-21","18:00:00",""
"4135151","14.489","0.0004","22.5108","0.0006","20.7697","0.0005","90","","96.722","0.001","90","","6727.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H79 Fe4 N6 S4 -","- C70 H79 Fe4 N6 S4 -","- C280 H316 Fe16 N24 S16 -","4","1","","Brown, Alexandra C.; Suess, Daniel L. M.","Reversible Formation of Alkyl Radicals at [Fe<sub>4</sub>S<sub>4</sub>] Clusters and Its Implications for Selectivity in Radical SAM Enzymes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05590","","","0.71073","MoKα","","0.0532","0.0338","","","0.0752","0.084","","","","","","1.03","","","","has coordinates","255131","2020-10-21","18:00:00",""
"4135152","22.8252","0.0011","22.8252","0.0011","53.979","0.003","90","","90","","120","","24355","2","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C78.92 H95.01 F3 Fe4 N8 O4.98 S5 -","- C78.9672 H94.827 F2.9997 Fe3.9999 N7.9998 O4.9917 S4.9999 -","- C947.606 H1137.92 F35.9964 Fe47.9988 N95.9976 O59.9004 S59.9988 -","12","0.333333","","Brown, Alexandra C.; Suess, Daniel L. M.","Reversible Formation of Alkyl Radicals at [Fe<sub>4</sub>S<sub>4</sub>] Clusters and Its Implications for Selectivity in Radical SAM Enzymes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05590","","","0.71073","MoKα","","0.0542","0.0351","","","0.0806","0.095","","","","","","1.139","","","","has coordinates,has disorder","255132","2020-10-21","18:00:00",""
"4135153","31.712","0.005","31.712","0.005","10.0698","0.0014","90","","90","","90","","10127","3","93","","93","","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C33 H19 Cd F6 N3 O7 S2 -","- C33 H19 Cd F6 N3 O7 S2 -","- C264 H152 Cd8 F48 N24 O56 S16 -","8","1","","Sato, Hiroshi; Matsui, Toshiya; Chen, Zhiyi; Pirillo, Jenny; Hijikata, Yuh; Aida, Takuzo","Photochemically Crushable and Regenerative Metal‒Organic Framework","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06615","","","0.71075","MoKα","","0.0691","0.0676","","","0.183","0.184","","","","","","1.178","","","","has coordinates","255186","2020-10-21","18:00:00",""
"4135154","12.3534","0.0002","16.8232","0.0003","16.9837","0.0003","90","","96.717","0.001","90","","3505.39","0.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 B Cl2 F10 N2 O -","- C38 H33 B Cl2 F10 N2 O -","- C152 H132 B4 Cl8 F40 N8 O4 -","4","1","","Vidal, Fernando; McQuade, James; Lalancette, Roger; Jäkle, Frieder","ROMP-Boranes as Moisture-Tolerant and Recyclable Lewis Acid Organocatalysts.","Journal of the American Chemical Society","2020","142","34","14427","14431","10.1021/jacs.0c05454","","","1.54178","CuKα","","0.0864","0.0601","","","0.1285","0.1437","","","","","","1.027","","","","has coordinates","255871","2020-10-21","18:00:00",""
"4135155","18.8513","0.0002","18.8513","0.0002","49.401","0.0006","90","","90","","120","","15203.7","0.3","253","1","253","1","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C86 H51 Cu13 N13 O12 S12 -","- C84 H48 Cu13 N12 O12 S12 -","- C504 H288 Cu78 N72 O72 S72 -","6","0.166667","","Han, Haixiang; Yao, Yuan; Bhargava, Anuj; Wei, Zheng; Tang, Zhichu; Suntivich, Jin; Voznyy, Oleksandr; Robinson, Richard D.","Tertiary Hierarchical Complexity in Assemblies of Sulfur-Bridged Metal Chiral Clusters","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04764","","","1.54184","CuKα","","0.1059","0.1021","","","0.2905","0.2953","","","","","","1.109","","","","has coordinates","255296","2020-10-21","18:00:00",""
"4135156","12.7847","0.0001","15.0435","0.0001","14.647","0.0002","90","","113.055","0.001","90","","2592.01","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H45 N P2 Zn -","- C24 H45 N P2 Zn -","- C96 H180 N4 P8 Zn4 -","4","1","","Rauch, Michael; Kar, Sayan; Kumar, Amit; Avram, Liat; Shimon, Linda J. W.; Milstein, David","Metal-Ligand Cooperation Facilitates Bond Activation and Catalytic Hydrogenation with Zinc Pincer Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05500","","","1.54184","CuKα","","0.0402","0.0388","","","0.1148","0.1159","","","","","","1.127","","","","has coordinates","255410","2020-10-21","18:00:00",""
"4135157","10.6779","0.0003","11.669","0.0003","11.7338","0.0003","84.721","0.002","79.833","0.002","72.012","0.002","1367.64","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H47 N P2 Zn -","- C25 H47 N P2 Zn -","- C50 H94 N2 P4 Zn2 -","2","1","","Rauch, Michael; Kar, Sayan; Kumar, Amit; Avram, Liat; Shimon, Linda J. W.; Milstein, David","Metal-Ligand Cooperation Facilitates Bond Activation and Catalytic Hydrogenation with Zinc Pincer Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05500","","","1.54184","CuKα","","0.0381","0.0367","","","0.1003","0.1021","","","","","","1.064","","","","has coordinates","255410","2020-10-21","18:00:00",""
"4135158","15.2477","0.0006","13.1523","0.0004","15.7173","0.0006","90","","117.078","0.005","90","","2806.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H43 Cl2 N P2 Zn -","- C23 H43 Cl2 N P2 Zn -","- C92 H172 Cl8 N4 P8 Zn4 -","4","1","","Rauch, Michael; Kar, Sayan; Kumar, Amit; Avram, Liat; Shimon, Linda J. W.; Milstein, David","Metal-Ligand Cooperation Facilitates Bond Activation and Catalytic Hydrogenation with Zinc Pincer Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05500","","","0.71073","MoKα","","0.0577","0.0385","","","0.0831","0.0882","","","","","","1.07","","","","has coordinates","255410","2020-10-21","18:00:00",""
"4135159","20.4697","0.0003","12.0184","0.0002","14.2193","0.0002","90","","92.954","0.001","90","","3493.49","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H60 N2 P2 Si2 Zn -","- C29 H60 N2 P2 Si2 Zn -","- C116 H240 N8 P8 Si8 Zn4 -","4","1","","Rauch, Michael; Kar, Sayan; Kumar, Amit; Avram, Liat; Shimon, Linda J. W.; Milstein, David","Metal-Ligand Cooperation Facilitates Bond Activation and Catalytic Hydrogenation with Zinc Pincer Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05500","","","1.54184","CuKα","","0.0435","0.0419","","","0.1093","0.1103","","","","","","1.054","","","","has coordinates","255410","2020-10-21","18:00:00",""
"4135160","19.5996","0.0002","7.7111","0.0001","23.492","0.0003","90","","105.151","0.001","90","","3427.04","0.07","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 Cl N3 O2 P2 Zn -","- C30 H50 Cl N3 O2 P2 Zn -","- C120 H200 Cl4 N12 O8 P8 Zn4 -","4","1","","Rauch, Michael; Kar, Sayan; Kumar, Amit; Avram, Liat; Shimon, Linda J. W.; Milstein, David","Metal-Ligand Cooperation Facilitates Bond Activation and Catalytic Hydrogenation with Zinc Pincer Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05500","","","1.54184","CuKα","","0.0367","0.0358","","","0.0927","0.0934","","","","","","1.065","","","","has coordinates","255410","2020-10-21","18:00:00",""
"4135161","28.6002","0.0007","28.6002","0.0007","10.14949","0.00019","90","","90","","120","","7189.7","0.3","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C6 H5 N3 O3 Zn -","- C6 H5 N3 O3 Zn -","- C108 H90 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0486","0.0392","","","0.0858","0.0902","","","","","","1.042","","","","has coordinates","255514","2020-10-21","18:00:00",""
"4135162","26.6208","0.0013","26.6208","0.0013","10.1543","0.0004","90","","90","","120","","6231.9","0.5","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C11.17 H11.46 N3 O3 Zn -","- C11.2 H11.5 N3 O3 Zn -","- C201.6 H207 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0673","0.0639","","","0.1685","0.1718","","","","","","1.102","","","","has coordinates","255515","2020-10-21","18:00:00",""
"4135163","27.9529","0.0009","27.9529","0.0009","10.1479","0.0003","90","","90","","120","","6866.9","0.4","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C10.22 H11.29 N3 O3 Zn -","- C10.222 H11.296 N3 O3 Zn -","- C183.996 H203.328 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0665","0.0587","","","0.1632","0.1679","","","","","","1.108","","","","has coordinates,has disorder","255516","2020-10-21","18:00:00",""
"4135164","28.7263","0.0009","28.7263","0.0009","10.1348","0.0004","90","","90","","120","","7242.8","0.4","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C8.38 H10.55 N3.79 O3.79 Zn -","- C8.382 H10.558 N3.794 O3.794 Zn -","- C150.876 H190.044 N68.292 O68.292 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0652","0.0584","","","0.1639","0.1689","","","","","","1.101","","","","has coordinates,has disorder","255517","2020-10-21","18:00:00",""
"4135165","27.0471","0.0011","27.0471","0.0011","10.1495","0.0004","90","","90","","120","","6430.1","0.4","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C8.93 H10.85 N3 O3.73 Zn -","- C8.924 H10.848 N3 O3.731 Zn -","- C160.632 H195.264 N54 O67.158 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0578","0.0559","","","0.1467","0.1477","","","","","","1.128","","","","has coordinates","255518","2020-10-21","18:00:00",""
"4135166","28.659","0.0013","28.659","0.0013","10.1251","0.0004","90","","90","","120","","7202","0.5","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7.83 H8.66 N3 O3.21 Zn -","- C7.84 H8.68 N3 O3.21 Zn -","- C141.12 H156.24 N54 O57.78 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0795","0.078","","","0.2249","0.2261","","","","","","1.142","","","","has coordinates,has disorder","255519","2020-10-21","18:00:00",""
"4135167","28.2634","0.0009","28.2634","0.0009","10.1714","0.0003","90","","90","","120","","7036.6","0.4","150","","150","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","","0.71073","MoKα","","0.0532","0.0492","","","0.1626","0.1664","","","","","","1.099","","","","has coordinates","255520","2020-10-21","18:00:00",""
"4135168","26.5317","0.0007","26.5317","0.0007","10.1159","0.0002","90","","90","","120","","6166.9","0.3","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C11.25 H12 N3 O3 Zn -","- C11.2497 H11.9996 N3 O3 Zn -","- C202.495 H215.993 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.047","0.0446","","","0.1184","0.1198","","","","","","1.037","","","","has coordinates,has disorder","255521","2020-10-21","18:00:00",""
"4135169","26.3829","0.001","26.3829","0.001","10.1215","0.0004","90","","90","","120","","6101.3","0.4","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C8.96 H9.44 N4.48 O3 Zn -","- C8.96 H9.44 N4.48 O3 Zn -","- C161.28 H169.92 N80.64 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0559","0.0477","","","0.1122","0.116","","","","","","1.032","","","","has coordinates,has disorder","255522","2020-10-21","18:00:00",""
"4135170","28.8656","0.001","28.8656","0.001","10.1277","0.0003","90","","90","","120","","7308.1","0.4","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C9.73 H13.38 N3.91 O3.91 Zn -","- C9.733 H13.377 N3.911 O3.911 Zn -","- C175.194 H240.786 N70.398 O70.398 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0856","0.0633","","","0.1596","0.1723","","","","","","1.066","","","","has coordinates,has disorder","255523","2020-10-21","18:00:00",""
"4135171","28.0844","0.0006","28.0844","0.0006","10.1209","0.0002","90","","90","","120","","6913.2","0.2","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C7.94 H9.67 N3 O3.78 Zn -","- C7.94 H9.656 N3 O3.776 Zn -","- C142.92 H173.808 N54 O67.968 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0444","0.042","","","0.13","0.1324","","","","","","1.182","","","","has coordinates,has disorder","255524","2020-10-21","18:00:00",""
"4135172","28.2673","0.0009","28.2673","0.0009","10.1143","0.0002","90","","90","","120","","6999","0.3","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0847","0.0692","","","0.1922","0.2018","","","","","","1.136","","","","has coordinates","255525","2020-10-21","18:00:00",""
"4135173","27.8332","0.0003","27.8332","0.0003","10.14011","0.00014","90","","90","","120","","6802.99","0.14","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C8.9 H9.85 N3.95 O3 Zn -","- C8.899 H9.8485 N3.9495 O3 Zn -","- C160.182 H177.273 N71.091 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0383","0.0371","","","0.1149","0.1158","","","","","","1.087","","","","has coordinates,has disorder","255526","2020-10-21","18:00:00",""
"4135174","28.3977","0.0008","28.3977","0.0008","10.1062","0.0002","90","","90","","120","","7058.1","0.3","100","","100","","","","","","","","","6","R 3 :H","R 3","146","","","","- C8.54 H11.62 N3 O3.77 S0.77 Zn -","- C8.548 H11.644 N3 O3.774 S0.774 Zn -","- C153.864 H209.592 N54 O67.932 S13.932 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0942","0.0761","","","0.2156","0.2273","","","","","","1.043","","","","has coordinates,has disorder","255527","2020-10-21","18:00:00",""
"4135175","27.0749","0.0011","27.0749","0.0011","10.1437","0.0004","90","","90","","120","","6439.6","0.4","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C9.79 H9.73 N3 O3 Zn -","- C9.784 H9.73 N3 O3 Zn -","- C176.112 H175.14 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0608","0.057","","","0.1509","0.1538","","","","","","1.096","","","","has coordinates,has disorder","255528","2020-10-21","18:00:00",""
"4135176","24.035","0.003","24.035","0.003","10.2251","0.0005","90","","90","","120","","5115.5","0.9","195","","195","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.6889","synchrotron","","0.1019","0.0857","","","0.2207","0.2345","","","","","","1.062","","","","has coordinates","255529","2020-10-21","18:00:00",""
"4135177","27.9972","0.0004","27.9972","0.0004","10.18666","0.00017","90","","90","","120","","6914.99","0.18","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0271","0.0258","","","0.064","0.0645","","","","","","1.05","","","","has coordinates","255530","2020-10-21","18:00:00",""
"4135178","28.3178","0.0004","28.3178","0.0004","10.1489","0.0002","90","","90","","120","","7048","0.2","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C8.97 H10.94 N3 O3.66 Zn -","- C8.9755 H10.951 N3 O3.6585 Zn -","- C161.559 H197.118 N54 O65.853 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0501","0.0474","","","0.1425","0.1446","","","","","","1.12","","","","has coordinates,has disorder","255531","2020-10-21","18:00:00",""
"4135179","29.5677","0.0011","29.5677","0.0011","10.1237","0.0003","90","","90","","120","","7664.9","0.5","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C13.24 H12.24 N3 O3 Zn -","- C13.236 H12.236 N3 O3 Zn -","- C238.248 H220.248 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0767","0.0604","","","0.1459","0.1549","","","","","","1.071","","","","has coordinates,has disorder","255532","2020-10-21","18:00:00",""
"4135180","28.6845","0.0007","28.6845","0.0007","10.1435","0.0002","90","","90","","120","","7227.9","0.3","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7.54 H8.09 N3 O3.27 Zn -","- C7.542 H8.084 N3 O3.271 Zn -","- C135.756 H145.512 N54 O58.878 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0861","0.0718","","","0.1981","0.2103","","","","","","1.085","","","","has coordinates,has disorder","255533","2020-10-21","18:00:00",""
"4135181","28.1677","0.0004","28.1677","0.0004","10.1579","0.0001","90","","90","","120","","6979.71","0.16","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C10.53 H11.41 N3 O3 Zn -","- C10.532 H11.415 N3 O3 Zn -","- C189.576 H205.47 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0428","0.0396","","","0.1128","0.1151","","","","","","1.125","","","","has coordinates,has disorder","255534","2020-10-21","18:00:00",""
"4135182","28.1768","0.0004","28.1768","0.0004","10.1733","0.0001","90","","90","","120","","6994.81","0.16","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0479","0.0463","","","0.1575","0.1594","","","","","","1.158","","","","has coordinates","255535","2020-10-21","18:00:00",""
"4135183","27.7361","0.0009","27.7361","0.0009","10.1353","0.0003","90","","90","","120","","6752.4","0.4","150","","150","","","","","","","","","6","R 3 :H","R 3","146","","","","- C7.69 H8.37 Cl1.37 N3 O3 Zn -","- C7.6835 H8.367 Cl1.367 N3 O3 Zn -","- C138.303 H150.606 Cl24.606 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","","0.71073","MoKα","","0.0756","0.0662","","","0.187","0.1953","","","","","","1.08","","","","has coordinates,has disorder","255536","2020-10-21","18:00:00",""
"4135184","28.9145","0.0003","28.9145","0.0003","10.1521","0.0001","90","","90","","120","","7350.52","0.13","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0577","0.0546","","","0.1767","0.1805","","","","","","1.073","","","","has coordinates","255537","2020-10-21","18:00:00",""
"4135185","28.2675","0.0005","28.2675","0.0005","10.1239","0.0002","90","","90","","120","","7005.7","0.2","100","","100","","","","","","","","","6","R 3 :H","R 3","146","","","","- C8.44 H9.16 F2.16 N3 O3.72 Zn -","- C8.439 H9.1585 F2.1585 N3 O3.7195 Zn -","- C151.902 H164.853 F38.853 N54 O66.951 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0678","0.057","","","0.1622","0.1702","","","","","","1.095","","","","has coordinates,has disorder","255538","2020-10-21","18:00:00",""
"4135186","28.3671","0.0009","28.3671","0.0009","10.1749","0.0004","90","","90","","120","","7090.7","0.4","150","","150","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","","0.71073","MoKα","","0.0694","0.0572","","","0.1781","0.1877","","","","","","1.099","","","","has coordinates","255539","2020-10-21","18:00:00",""
"4135187","28.8315","0.0004","28.8315","0.0004","10.1304","0.0002","90","","90","","120","","7292.8","0.2","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7.74 H8.77 N3 O3.29 Zn -","- C7.7375 H8.77 N3 O3.295 Zn -","- C139.275 H157.86 N54 O59.31 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0526","0.0495","","","0.1559","0.159","","","","","","1.111","","","","has coordinates,has disorder","255540","2020-10-21","18:00:00",""
"4135188","27.0355","0.0009","27.0355","0.0009","10.1431","0.0004","90","","90","","120","","6420.5","0.4","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C8.01 H9.02 N3 O4.01 Zn -","- C8.016 H9.032 N3 O4.008 Zn -","- C144.288 H162.576 N54 O72.144 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0555","0.0508","","","0.1421","0.1451","","","","","","1.177","","","","has coordinates,has disorder","255541","2020-10-21","18:00:00",""
"4135189","26.583","0.0012","26.583","0.0012","10.1311","0.0004","90","","90","","120","","6200.1","0.5","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C10 H10 N3 O3 Zn -","- C10 H10 N3 O3 Zn -","- C180 H180 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0931","0.0811","","","0.2014","0.2094","","","","","","1.115","","","","has coordinates,has disorder","255542","2020-10-21","18:00:00",""
"4135190","27.4717","0.0008","27.4717","0.0008","10.1111","0.0002","90","","90","","120","","6608.5","0.3","100","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C8.17 H8.25 F3.25 N3 O4.08 Zn -","- C8.166 H8.249 F3.249 N3 O4.083 Zn -","- C146.988 H148.482 F58.482 N54 O73.494 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0702","0.0641","","","0.1839","0.1903","","","","","","1.05","","","","has coordinates,has disorder","255543","2020-10-21","18:00:00",""
"4135191","26.102","0.002","26.102","0.002","10.1291","0.0005","90","","90","","120","","5976.5","0.7","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C6 H5 N3 O3 Zn -","- C6 H5 N3 O3 Zn -","- C108 H90 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.1405","0.1158","","","0.2835","0.2988","","","","","","1.181","","","","has coordinates","255544","2020-10-21","18:00:00",""
"4135192","28.539","0.003","28.539","0.003","10.1528","0.0006","90","","90","","120","","7161.3","1.1","150","","150","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C6 H5 N3 O3 Zn -","- C6 H5 N3 O3 Zn -","- C108 H90 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.1354","0.1092","","","0.2517","0.2676","","","","","","1.131","","","","has coordinates","255545","2020-10-21","18:00:00",""
"4135193","28.5688","0.0005","28.5688","0.0005","10.12978","0.00018","90","","90","","120","","7160","0.2","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C8.5 H10.5 N3.5 O3.5 Zn -","- C8.505 H10.511 N3.501 O3.501 Zn -","- C153.09 H189.198 N63.018 O63.018 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0571","0.0546","","","0.1643","0.1668","","","","","","1.075","","","","has coordinates,has disorder","255546","2020-10-21","18:00:00",""
"4135194","27.7811","0.0008","27.7811","0.0008","10.127","0.0003","90","","90","","120","","6768.8","0.3","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C9.68 H12.35 N3 O4.23 Zn -","- C9.675 H12.35 N3 O4.225 Zn -","- C174.15 H222.3 N54 O76.05 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0675","0.06","","","0.1529","0.1573","","","","","","1.06","","","","has coordinates,has disorder","255547","2020-10-21","18:00:00",""
"4135195","28.1471","0.0004","28.1471","0.0004","10.16708","0.00014","90","","90","","120","","6975.8","0.17","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C8.26 H8.44 N3 O3 Zn -","- C8.26 H8.44 N3 O3 Zn -","- C148.68 H151.92 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0511","0.0483","","","0.1513","0.154","","","","","","1.064","","","","has coordinates","255548","2020-10-21","18:00:00",""
"4135196","26.5867","0.0014","26.5867","0.0014","10.1323","0.0004","90","","90","","120","","6202.5","0.5","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C9.5 H9 N3 O3 Zn -","- C9.5 H9 N3 O3 Zn -","- C171 H162 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0638","0.0586","","","0.1564","0.1598","","","","","","1.103","","","","has coordinates,has disorder","255549","2020-10-21","18:00:00",""
"4135197","26.5411","0.0014","26.5411","0.0014","10.1419","0.0004","90","","90","","120","","6187.1","0.5","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C9 H8 N3 O3 Zn -","- C9 H8 N3 O3 Zn -","- C162 H144 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0755","0.0641","","","0.1487","0.155","","","","","","1.06","","","","has coordinates,has disorder","255550","2020-10-21","18:00:00",""
"4135198","28.0952","0.0014","28.0952","0.0014","10.1517","0.0005","90","","90","","120","","6939.6","0.6","100","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C7.51 H9.54 N3 O3.76 S0.76 Zn -","- C7.512 H9.536 N3 O3.756 S0.756 Zn -","- C135.216 H171.648 N54 O67.608 S13.608 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0852","0.0752","","","0.2169","0.2268","","","","","","1.061","","","","has coordinates,has disorder","255551","2020-10-21","18:00:00",""
"4135199","27.1513","0.0006","27.1513","0.0006","10.1334","0.0002","90","","90","","120","","6469.4","0.2","100","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C6.84 H6.68 Cl1.68 N3 O3 Zn -","- C6.842 H6.684 Cl1.684 N3 O3 Zn -","- C123.156 H120.312 Cl30.312 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0741","0.0726","","","0.2109","0.2127","","","","","","1.076","","","","has coordinates","255552","2020-10-21","18:00:00",""
"4135200","26.4227","0.0007","26.4227","0.0007","10.1231","0.0002","90","","90","","120","","6120.7","0.3","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C10.82 H11.03 N3 O3 Zn -","- C10.8 H11 N3 O3 Zn -","- C194.4 H198 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0617","0.0585","","","0.1565","0.1596","","","","","","1.083","","","","has coordinates","255554","2020-10-21","18:00:00",""
"4135201","28.1915","0.0006","28.1915","0.0006","10.2028","0.0002","90","","90","","120","","7022.4","0.3","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C12.78 H12.78 N3 O3 Zn -","- C12.715 H12.715 N3 O3 Zn -","- C228.87 H228.87 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0528","0.0477","","","0.136","0.1404","","","","","","1.01","","","","has coordinates,has disorder","255555","2020-10-21","18:00:00",""
"4135202","40.5456","0.0007","40.546","","19.6333","0.0004","90","","90","","120","","27952.2","0.7","100","2","99.98","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C96 H52 O36 Zr6 -","- C96 H52 O36 Zr6 -","- C288 H156 O108 Zr18 -","3","0.125","","Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.","Journal of the American Chemical Society","2020","142","35","15020","15026","10.1021/jacs.0c05758","","","1.54184","CuKα","","0.0612","0.0477","","","0.1471","0.1547","","","","","","1.079","","","","has coordinates","255870","2020-10-21","18:00:00",""
"4135203","41.321","0.004","41.321","","19.208","0.002","90","","90","","120","","28402","4","293","2","293.38","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C14.25 H10 F1.5 O4.5 Zr0.75 -","- C13.75 H8.5 O4.5 Zr0.75 -","- C330 H204 O108 Zr18 -","24","1","","Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.","Journal of the American Chemical Society","2020","142","35","15020","15026","10.1021/jacs.0c05758","","","1.54184","CuKα","","0.0854","0.0589","","","0.1622","0.1712","","","","","","1.107","","","","has coordinates,has disorder","255870","2020-10-21","18:00:00",""
"4135204","40.8928","0.0008","40.893","","19.2023","0.0004","90","","90","","120","","27808.6","0.8","100","2","99.99","","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C14.65 H8.2 Cl0 N0.45 O4.75 Ru0.12 Zr0.75 -","- C14.9 H8 N0.45 O4.75 Ru0.125 Zr0.75 -","- C357.6 H192 N10.8 O114 Ru3 Zr18 -","24","1","","Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.","Journal of the American Chemical Society","2020","142","35","15020","15026","10.1021/jacs.0c05758","","","1.54184","CuKα","","0.1354","0.1002","","","0.3012","0.3272","","","","","","1.108","","","","has coordinates,has disorder","255870","2020-10-21","18:00:00",""
"4135205","14.4913","0.0004","18.099","0.0005","25.5467","0.0007","90","","90","","90","","6700.3","0.3","100","2","100","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C32 H28 N6 O7 Ru -","- C32 H22 N6 O7 Ru -","- C256 H176 N48 O56 Ru8 -","8","1","","Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.","Journal of the American Chemical Society","2020","142","35","15020","15026","10.1021/jacs.0c05758","","","1.54184","CuKα","","0.0651","0.0632","","","0.1853","0.1865","","","","","","1.185","","","","has coordinates,has disorder","255870","2020-10-21","18:00:00",""
"4135206","12.6771","0.0015","5.6603","0.0007","13.2825","0.0015","90","","112.322","0.0018","90","","881.68","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H15 Br F2 N4 O2 -","- C18 H15 Br F2 N4 O2 -","- C36 H30 Br2 F4 N8 O4 -","2","1","","Levin, Mark D.; Ovian, John M.; Read, Jacquelyne A.; Sigman, Matthew S.; Jacobsen, Eric N.","Catalytic Enantioselective Synthesis of Difluorinated Alkyl Bromides.","Journal of the American Chemical Society","2020","142","35","14831","14837","10.1021/jacs.0c07043","","","0.71073","MoKα","","0.0683","0.0505","","","0.1106","0.1193","","","","","","1.026","","","","has coordinates","255869","2020-10-21","18:00:00",""
"4135207","13.6391","0.0006","7.6769","0.0003","18.8407","0.0008","90","","106.859","0.002","90","","1887.95","0.14","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H13 Br N2 O6 -","- C19 H13 Br N2 O6 -","- C76 H52 Br4 N8 O24 -","4","2","","Huang, Wen-Yu; Lu, Chun-Hua; Ghorai, Samir; Li, Bing; Li, Changkun","Regio- and Enantioselective Allylic Alkylation of Terminal Alkynes by Synergistic Rh/Cu Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08283","","","1.54178","CuKα","","0.0851","0.0516","","","0.1522","0.1715","","","","","","1.026","","","","has coordinates","255665","2020-10-21","18:00:00",""
"4135208","10.5663","0.0007","12.6322","0.0008","22.8317","0.0014","90","","92.385","0.003","90","","3044.8","0.3","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H33 Cu I N2 O2 P -","- C30 H33 Cu I N2 O2 P -","- C120 H132 Cu4 I4 N8 O8 P4 -","4","2","","Huang, Wen-Yu; Lu, Chun-Hua; Ghorai, Samir; Li, Bing; Li, Changkun","Regio- and Enantioselective Allylic Alkylation of Terminal Alkynes by Synergistic Rh/Cu Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08283","","","1.54178","CuKα","","0.1044","0.089","","","0.251","0.2673","","","","","","1.022","","","","has coordinates","255666","2020-10-21","18:00:00",""
"4135209","11.6082","0.0004","12.8385","0.0004","21.5239","0.0007","75.264","0.001","81.793","0.001","65.578","0.001","2822.09","0.16","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C61 H78 N4 O10 -","- C61 H78 N4 O10 -","- C122 H156 N8 O20 -","2","1","","Li, Errui; Jie, Kecheng; Fang, Yu; Cai, Peiyu; Huang, Feihe","Transformation of Nonporous Adaptive Pillar[4]arene[1]quinone Crystals into Fluorescent Crystals via Multi-Step Solid-Vapor Postsynthetic Modification for Fluorescence Turn-on Sensing of Ethylenediamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07482","","","0.71073","MoKα","","0.0765","0.0645","","","0.1781","0.1871","","","","","","1.039","","","","has coordinates,has disorder","255693","2020-10-21","18:00:00",""
"4135210","12.6366","0.0004","15.8733","0.0006","16.1976","0.0006","66.788","0.001","79.799","0.001","71.514","0.001","2826.85","0.18","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H68 N2 O10 -","- C56 H68 N2 O10 -","- C112 H136 N4 O20 -","2","1","","Li, Errui; Jie, Kecheng; Fang, Yu; Cai, Peiyu; Huang, Feihe","Transformation of Nonporous Adaptive Pillar[4]arene[1]quinone Crystals into Fluorescent Crystals via Multi-Step Solid-Vapor Postsynthetic Modification for Fluorescence Turn-on Sensing of Ethylenediamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07482","","","0.71073","MoKα","","0.0566","0.0432","","","0.1093","0.1177","","","","","","1.028","","","","has coordinates,has disorder","255694","2020-10-21","18:00:00",""
"4135211","18.7932","0.0011","12.7208","0.0006","24.3108","0.0013","90","","100.886","0.002","90","","5707.3","0.5","170","2","170.01","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C57 H80 N6 O10 -","- C57 H80 N6 O10 -","- C228 H320 N24 O40 -","4","1","","Li, Errui; Jie, Kecheng; Fang, Yu; Cai, Peiyu; Huang, Feihe","Transformation of Nonporous Adaptive Pillar[4]arene[1]quinone Crystals into Fluorescent Crystals via Multi-Step Solid-Vapor Postsynthetic Modification for Fluorescence Turn-on Sensing of Ethylenediamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07482","","","0.71073","MoKα","","0.1764","0.0974","","","0.2821","0.3422","","","","","","1.03","","","","has coordinates,has disorder","255695","2020-10-21","18:00:00",""
"4135212","13.482","0.0006","17.7729","0.0007","21.1215","0.001","90","","94.377","0.004","90","","5046.3","0.4","170.6","","170.6","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H63 N O10 -","- C53 H63 N O10 -","- C212 H252 N4 O40 -","4","1","","Li, Errui; Jie, Kecheng; Fang, Yu; Cai, Peiyu; Huang, Feihe","Transformation of Nonporous Adaptive Pillar[4]arene[1]quinone Crystals into Fluorescent Crystals via Multi-Step Solid-Vapor Postsynthetic Modification for Fluorescence Turn-on Sensing of Ethylenediamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07482","","","0.71073","MoKα","","0.103","0.0572","","","0.127","0.1548","","","","","","1.018","","","","has coordinates","255696","2020-10-21","18:00:00",""
"4135213","9.176","0.0002","9.948","0.0002","15.9081","0.0003","90","","99.787","0.001","90","","1431","0.05","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H49 N O3 S Si -","- C25 H49 N O3 S Si -","- C50 H98 N2 O6 S2 Si2 -","2","1","","Nicolaou, K. C.; Krieger, Johannes; Murhade, Ganesh M.; Subramanian, Parthasarathi; Dherange, Balu D.; Vourloumis, Dionisios; Munneke, Stefan; Lin, Baiwei; Gu, Christine; Sarvaiaya, Hetal; Sandoval, Joseph; Zhang, Zhaomei; Aujay, Monette; Purcell, James W.; Gavrilyuk, Julia","Streamlined Symmetrical Total Synthesis of Disorazole B1 and Design, Synthesis, and Biological Investigation of Disorazole Analogues","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07094","","x-ray","1.54178","CuKα","","0.0233","0.0229","","","0.0596","0.06","","","","","","1.038","","","","has coordinates,has disorder","255697","2020-10-21","18:00:00",""
"4135214","10.9661","0.0006","20.2493","0.0011","12.9096","0.0007","90","","102.242","0.002","90","","2801.5","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26.5 H35 Cl Ni O3 P2 S -","- C26.5 H35 Cl Ni O3 P2 S -","- C106 H140 Cl4 Ni4 O12 P8 S4 -","4","1","","Entz, Emily D.; Russell, John; Hooker, Leidy; Neufeldt, Sharon R.","Small Phosphine Ligands Enable Selective Oxidative Addition of Ar-O over Ar-Cl Bonds at Nickel(0).","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06995","","x-ray","0.71073","MoKα","","0.0709","0.0534","","","0.1298","0.1453","","","","","","1.039","","","","has coordinates,has disorder","255718","2020-10-21","18:00:00",""
"4135215","23.011","0.01","16.617","0.009","21.113","0.009","90","","91.04","0.03","90","","8072","7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C95 H96 F12 N2 O5 P2 -","- C95 H96 F12 N2 O5 P2 -","- C380 H384 F48 N8 O20 P8 -","4","1","","Frydrych, Rafał; Lis, Tadeusz; Bury, Wojciech; Cybińska, Joanna; Stępień, Marcin","Feeding a Molecular Squid: A Pliable Nanocarbon Receptor for Electron-Poor Aromatics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07956","","x-ray","0.71073","MoKα","","0.1622","0.0732","","","0.1862","0.2059","","","","","","1.004","","","","has coordinates,has disorder","255758","2020-10-21","18:00:00",""
"4135216","21.8","0.009","18.632","0.008","20.532","0.008","90","","102.05","0.05","90","","8156","6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C97 H96 F12 N2 O5 P2 -","- C97 H96 F12 N2 O5 P2 -","- C388 H384 F48 N8 O20 P8 -","4","1","","Frydrych, Rafał; Lis, Tadeusz; Bury, Wojciech; Cybińska, Joanna; Stępień, Marcin","Feeding a Molecular Squid: A Pliable Nanocarbon Receptor for Electron-Poor Aromatics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07956","","x-ray","1.54184","CuKα","","0.3169","0.1082","","","0.1297","0.168","","","","","","0.875","","","","has coordinates","255759","2020-10-21","18:00:00",""
"4135217","12.027","0.002","16.806","0.003","19.642","0.004","72.1","0.05","84.41","0.04","85.99","0.04","3756.7","1.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C90 H104.4 O8.2 -","- C90 H104.4 O8.2 -","- C180 H208.8 O16.4 -","2","1","","Frydrych, Rafał; Lis, Tadeusz; Bury, Wojciech; Cybińska, Joanna; Stępień, Marcin","Feeding a Molecular Squid: A Pliable Nanocarbon Receptor for Electron-Poor Aromatics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07956","","","1.54184","CuKα","","0.1039","0.0775","","","0.2021","0.2405","","","","","","1.04","","","","has coordinates,has disorder","255760","2020-10-21","18:00:00",""
"4135218","19.335","0.01","20.831","0.011","21.77","0.012","117.13","0.05","97.39","0.05","90.8","0.05","7712","8","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C96.5 H96 O8.5 -","- C96.5 H96 O8.5 -","- C386 H384 O34 -","4","2","","Frydrych, Rafał; Lis, Tadeusz; Bury, Wojciech; Cybińska, Joanna; Stępień, Marcin","Feeding a Molecular Squid: A Pliable Nanocarbon Receptor for Electron-Poor Aromatics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07956","","x-ray","1.54184","CuKα","","0.2597","0.1163","","","0.2483","0.3428","","","","","","1.003","","","","has coordinates,has disorder","255761","2020-10-21","18:00:00",""
"4135219","16.394","0.007","24.705","0.01","18.366","0.007","90","0.03","92.58","0.04","90","0.03","7431","5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C83.2 H84.4 Cl6.4 O4 -","- C83.2 H84.4 Cl6.4 O4 -","- C332.8 H337.6 Cl25.6 O16 -","4","1","","Frydrych, Rafał; Lis, Tadeusz; Bury, Wojciech; Cybińska, Joanna; Stępień, Marcin","Feeding a Molecular Squid: A Pliable Nanocarbon Receptor for Electron-Poor Aromatics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07956","","","1.5418","CuKα","","0.1207","0.1029","","","0.2682","0.2891","","","","","","1.667","","","","has coordinates,has disorder","255762","2020-10-21","18:00:00",""
"4135220","32.979","0.005","18.11","0.003","25.513","0.005","90","","90","","90","","15238","5","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C98 H96 O4 -","- C98 H96 O4 -","- C784 H768 O32 -","8","2","","Frydrych, Rafał; Lis, Tadeusz; Bury, Wojciech; Cybińska, Joanna; Stępień, Marcin","Feeding a Molecular Squid: A Pliable Nanocarbon Receptor for Electron-Poor Aromatics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07956","","","1.54184","CuKα","","0.1053","0.0827","","","0.2146","0.2355","","","","","","1.09","","","","has coordinates,has disorder","255763","2020-10-21","18:00:00",""
"4135221","30.2999","0.0014","32.5605","0.0013","34.8099","0.0018","90","","90","","90","","34343","3","150","0.1","150","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C224 H388 Cr15 F17 N4 Ni4 O77 S2 -","- C224 H388 Cr15 F17 N4 Ni4 O77 S2 -","- C896 H1552 Cr60 F68 N16 Ni16 O308 S8 -","4","1","","Lockyer, Selena J.; Nawaz, Selina; Brookfield, Adam; Fielding, Alistair J.; Vitorica-Yrezabal, Inigo J; Timco, Grigore A.; Burton, Neil A.; Bowen, Alice M.; Winpenny, Richard E. P.; McInnes, Eric J. L.","Conformational flexibility of hybrid [3]- and [4]-rotaxanes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06547","","","1.54184","CuKα","","0.1921","0.1808","","","0.4311","0.4414","","","","","","1.888","","","","has coordinates","255839","2020-10-21","18:00:00",""
"4135222","30.139","0.0006","52.7563","0.0009","30.1676","0.0008","90","","90","","90","","47967.2","1.8","150.01","0.11","150.01","0.11","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C315 H543 Cr27 F24 N6 O109 S3 -","- C315 H543 Cr27 F24 N6 O109 S3 -","- C1260 H2172 Cr108 F96 N24 O436 S12 -","4","0.5","","Lockyer, Selena J.; Nawaz, Selina; Brookfield, Adam; Fielding, Alistair J.; Vitorica-Yrezabal, Inigo J; Timco, Grigore A.; Burton, Neil A.; Bowen, Alice M.; Winpenny, Richard E. P.; McInnes, Eric J. L.","Conformational flexibility of hybrid [3]- and [4]-rotaxanes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06547","","x-ray","0.71073","MoKα","","0.1879","0.1471","","","0.3688","0.4074","","","","","","1.365","","","","has coordinates,has disorder","255840","2020-10-21","18:00:00",""
"4135223","6.7374","0.0006","13.1786","0.0013","14.477","0.0012","75.796","0.004","82.956","0.004","78.182","0.004","1216.14","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","jwjcop1","","","- C51 H58 B2 Cl2 F4 N6 Pd2 -","- C51 H58 B2 Cl2 F4 N6 Pd2 -","- C51 H58 B2 Cl2 F4 N6 Pd2 -","1","0.5","","Morstein, Johannes; Höfler, Denis; Ueno, Kohei; Jurss, Jonah W.; Walvoord, Ryan R.; Bruemmer, Kevin J.; Rezgui, Samir P.; Brewer, Thomas F.; Saitoe, Minoru; Michel, Brian W.; Chang, Christopher J.","Ligand-Directed Approach to Activity-Based Sensing: Developing Palladacycle Fluorescent Probes That Enable Endogenous Carbon Monoxide Detection.","Journal of the American Chemical Society","2020","142","37","15917","15930","10.1021/jacs.0c06405","","","0.71073","MoKα","","0.0379","0.0312","","","0.0622","0.0656","","","","","","1.036","","","","has coordinates,has disorder","257116","2020-10-21","18:00:00",""
"4135224","17.1369","0.0008","12.7322","0.0006","12.0144","0.0005","90","","103.187","0.002","90","","2552.3","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cop1_py","","","- C27 H30 B Cl F2 N4 Pd -","- C27 H30 B Cl F2 N4 Pd -","- C108 H120 B4 Cl4 F8 N16 Pd4 -","4","1","","Morstein, Johannes; Höfler, Denis; Ueno, Kohei; Jurss, Jonah W.; Walvoord, Ryan R.; Bruemmer, Kevin J.; Rezgui, Samir P.; Brewer, Thomas F.; Saitoe, Minoru; Michel, Brian W.; Chang, Christopher J.","Ligand-Directed Approach to Activity-Based Sensing: Developing Palladacycle Fluorescent Probes That Enable Endogenous Carbon Monoxide Detection.","Journal of the American Chemical Society","2020","142","37","15917","15930","10.1021/jacs.0c06405","","","0.71073","MoKα","","0.0215","0.0205","","","0.056","0.0567","","","","","","1.06","","","","has coordinates","257116","2020-10-21","18:00:00",""
"4135225","6.815","","7.825","","20.231","0.001","98.326","0.002","91.92","0.002","100.133","0.002","1048.92","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","rxnCOP1","","","- C23 H26 B F2 N3 O2 -","- C23 H26 B F2 N3 O2 -","- C46 H52 B2 F4 N6 O4 -","2","1","","Morstein, Johannes; Höfler, Denis; Ueno, Kohei; Jurss, Jonah W.; Walvoord, Ryan R.; Bruemmer, Kevin J.; Rezgui, Samir P.; Brewer, Thomas F.; Saitoe, Minoru; Michel, Brian W.; Chang, Christopher J.","Ligand-Directed Approach to Activity-Based Sensing: Developing Palladacycle Fluorescent Probes That Enable Endogenous Carbon Monoxide Detection.","Journal of the American Chemical Society","2020","142","37","15917","15930","10.1021/jacs.0c06405","","","0.71073","MoKα","","0.0453","0.038","","","0.0928","0.0984","","","","","","1.03","","","","has coordinates","257116","2020-10-21","18:00:00",""
"4135226","18.123","0.003","9.381","0.002","12.241","0.003","90","","119.36","0.02","90","","1813.8","0.8","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H35 Li N2 -","- C19 H35 Li N2 -","- C76 H140 Li4 N8 -","4","1","","Münch, Annika; Knauer, Lena; Ott, Holger; Sindlinger, Christian; Herbst-Irmer, Regine; Strohmann, Carsten; Stalke, Dietmar","Insight into the Bonding and Aggregation of Alkyllithiums by Experimental Charge Density Studies and Energy Decomposition Analyses.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06035","","","0.71073","MoKα","","0.029","0.029","","","","0.034","","","","","","2.36","","","","has coordinates","255844","2020-10-21","18:00:00",""
"4135227","8.389","0.002","11.624","0.002","13.213","0.003","114.52","0.03","95.98","0.02","91.19","0.02","1163","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H44 Li2 N2 -","- C22 H44 Li2 N2 -","- C44 H88 Li4 N4 -","2","1","","Münch, Annika; Knauer, Lena; Ott, Holger; Sindlinger, Christian; Herbst-Irmer, Regine; Strohmann, Carsten; Stalke, Dietmar","Insight into the Bonding and Aggregation of Alkyllithiums by Experimental Charge Density Studies and Energy Decomposition Analyses.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06035","","","0.71073","MoKα","","0.022","0.022","","","","0.017","","","","","","1.817","","","","has coordinates","255845","2020-10-21","18:00:00",""
"4135228","22.246","0.003","9.093","0.002","17.511","0.002","90","","126.51","0.02","90","","2847","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H54 Li4 N2 -","- C26 H54 Li4 N2 -","- C104 H216 Li16 N8 -","4","0.5","","Münch, Annika; Knauer, Lena; Ott, Holger; Sindlinger, Christian; Herbst-Irmer, Regine; Strohmann, Carsten; Stalke, Dietmar","Insight into the Bonding and Aggregation of Alkyllithiums by Experimental Charge Density Studies and Energy Decomposition Analyses.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06035","","","0.71073","MoKα","","0.023","0.023","","","","0.04","","","","","","5.763","","","","has coordinates","255846","2020-10-21","18:00:00",""
"4135229","12.1264","0.0003","9.0714","0.0002","20.8156","0.0006","90","","95.4095","0.001","90","","2279.59","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","NT2","","","- C17 H30 Br F6 N3 Ni -","- C17 H30 Br F6 N3 Ni -","- C68 H120 Br4 F24 N12 Ni4 -","4","1","","Till, Nicholas A.; Tian, Lei; Dong, Zhe; Scholes, Gregory D.; MacMillan, David W. C.","Mechanistic Analysis of Metallaphotoredox C-N Coupling: Photocatalysis Initiates and Perpetuates Ni(I)/Ni(III) Coupling Activity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05901","","","1.54178","CuKα","","0.0387","0.0349","","","0.0823","0.0843","","","","","","1.155","","","","has coordinates,has disorder","255847","2020-10-21","18:00:00",""
"4135230","9.485","0.0003","23.4562","0.0007","8.9525","0.0002","90","","110.58","0.0014","90","","1864.67","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NT1","","","- C14 H21 Br F6 N2 Ni -","- C14 H21 Br F6 N2 Ni -","- C56 H84 Br4 F24 N8 Ni4 -","4","1","","Till, Nicholas A.; Tian, Lei; Dong, Zhe; Scholes, Gregory D.; MacMillan, David W. C.","Mechanistic Analysis of Metallaphotoredox C-N Coupling: Photocatalysis Initiates and Perpetuates Ni(I)/Ni(III) Coupling Activity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05901","","","1.54178","CuKα","","0.0374","0.0314","","","0.0715","0.0747","","","","","","1.133","","","","has coordinates,has disorder","255848","2020-10-21","18:00:00",""
"4135231","11.3083","0.0005","22.6701","0.0011","7.3209","0.0003","90","","100.676","0.0018","90","","1844.3","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NT3","","","- C16 H21 Br F6 N2 Ni -","- C16 H21 Br F6 N2 Ni -","- C64 H84 Br4 F24 N8 Ni4 -","4","1","","Till, Nicholas A.; Tian, Lei; Dong, Zhe; Scholes, Gregory D.; MacMillan, David W. C.","Mechanistic Analysis of Metallaphotoredox C-N Coupling: Photocatalysis Initiates and Perpetuates Ni(I)/Ni(III) Coupling Activity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05901","","","0.71073","MoKα","","0.0492","0.0329","","","0.0675","0.0719","","","","","","1.064","","","","has coordinates,has disorder","255849","2020-10-21","18:00:00",""
"4135232","11.7169","0.0015","13.0843","0.0017","13.9715","0.0018","110.79","0.002","94.411","0.002","96.326","0.002","1974.7","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H35 Cl3 N4 O3 -","- C46 H35 Cl3 N4 O3 -","- C92 H70 Cl6 N8 O6 -","2","1","","Ma, Chun; Sheng, Feng-Tao; Wang, Hai-Qing; Deng, Shuang; Zhang, Yu-Chen; Jiao, Yinchun; Tan, Wei; Shi, Feng","Atroposelective Access to Oxindole-Based Axially Chiral Styrenes via the Strategy of Catalytic Kinetic Resolution.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00208","","","0.71073","MoKα","","0.0901","0.0637","","","0.1785","0.2009","","","","","","1.045","","","","has coordinates","255850","2020-10-21","18:00:00",""
"4135233","11.9932","0.0003","12.6212","0.0003","17.8528","0.0004","86.402","0.001","87.426","0.001","65.937","0.001","2462.09","0.1","170","2","170","","","","","","","","","4","P 1","P 1","1","","","","- C30 H23 N3 O -","- C30 H23 N3 O -","- C120 H92 N12 O4 -","4","4","","Ma, Chun; Sheng, Feng-Tao; Wang, Hai-Qing; Deng, Shuang; Zhang, Yu-Chen; Jiao, Yinchun; Tan, Wei; Shi, Feng","Atroposelective Access to Oxindole-Based Axially Chiral Styrenes via the Strategy of Catalytic Kinetic Resolution.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00208","","","1.34139","GaKα","","0.0454","0.0435","","","0.1186","0.1207","","","","","","1.042","","","","has coordinates","255851","2020-10-21","18:00:00",""
"4135234","5.5291","0.0002","9.2918","0.0004","31.0756","0.0012","90","","90","","90","","1596.52","0.11","123","2","123.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl O2 S -","- C17 H17 Cl O2 S -","- C68 H68 Cl4 O8 S4 -","4","1","","Zhang, Qinglong; Dong, Dongfang; Zi, Weiwei","Palladium-Catalyzed Regio- and Enantioselective Hydrosulfonylation of 1,3-Dienes with Sulfinic Acids: Scope, Mechanism, and Origin of Selectivity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05976","","x-ray","0.71073","MoKα","","0.0403","0.0354","","","0.083","0.087","","","","","","1.01","","","","has coordinates","255901","2020-10-21","18:00:00",""
"4135235","11.2473","0.0019","12.2989","0.0014","12.6264","0.0018","71.197","0.006","67.507","0.004","70.565","0.004","1483.2","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H15 F26 N -","- C25 H15 F26 N -","- C50 H30 F52 N2 -","2","1","","Lim, Irene; Vian, Antoine; van de Wouw, Heidi; Day, Rachael A.; Gomez, Carlos; Liu, Yucen; Rheingold, Arnold L.; Campas, Otger; Sletten, Ellen M.","Fluorous soluble cyanine dyes for visualizing perfluorocarbons in living systems.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07761","","x-ray","0.71073","MoKα","","0.0607","0.0374","","","0.0775","0.0867","","","","","","1.009","","","","has coordinates","255902","2020-10-21","18:00:00",""
"4135236","16.0766","0.0006","8.861","0.0003","10.0045","0.0004","90","","90","","90","","1425.19","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C72 H60 Br4 O8 -","4","1","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0203","0.0187","","","0.0459","0.0463","","","","","","0.98","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135237","16.8492","0.0009","8.7623","0.0004","19.0314","0.001","90","","100.588","0.005","90","","2761.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","2","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.7107","MoKα","","0.059","0.0442","","","0.1171","0.1257","","","","","","1.041","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135238","9.3491","0.0004","9.3991","0.0004","18.1237","0.0008","90","","96.9317","0.0012","90","","1580.95","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 O2 -","- C21 H16 O2 -","- C84 H64 O8 -","4","1","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0594","0.0467","","","0.121","0.1288","","","","","","1.03","","","","has coordinates,has disorder","257121","2020-10-21","18:00:00",""
"4135239","10.7611","0.0015","8.0387","0.0006","26.664","0.003","90","","92.145","0.004","90","","2305","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 Br N2 Ni -","- C26 H31 Br N2 Ni -","- C104 H124 Br4 N8 Ni4 -","4","1","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0603","0.0344","","","0.0639","0.0707","","","","","","1.023","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135240","13.8725","0.0009","12.4952","0.0007","15.8443","0.0009","90","","90","","90","","2746.4","0.3","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C50 H40 Br4 Cl4 F12 N8 Ni2 -","- C50 H40 Br4 Cl4 F12 N8 Ni2 -","- C100 H80 Br8 Cl8 F24 N16 Ni4 -","2","0.25","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0686","0.0626","","","0.1515","0.1538","","","","","","1.203","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135241","8.656","0.0008","11.3735","0.0008","27.925","0.002","90","","90","","90","","2749.2","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","1","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0834","0.0607","","","0.1564","0.1745","","","","","","1.03","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135242","13.8194","0.0013","15.7357","0.0015","14.0798","0.0013","90","","115.166","0.002","90","","2771.1","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H37 B Br N7 O P W -","- C21 H37 B Br N7 O P W -","- C84 H148 B4 Br4 N28 O4 P4 W4 -","4","1","","Smith, Jacob A.; Schouten, Anna; Wilde, Justin H.; Westendorff, Karl S.; Dickie, Diane A.; Ess, Daniel H.; Harman, W. Dean","Experiments and Direct Dynamics Simulations that Probe η2-Arene/Aryl-Hydride Equilibria of Tungsten Benzene Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08032","","","0.71073","MoKα","","0.043","0.0253","","","0.0518","0.0595","","","","","","1.062","","","","has coordinates,has disorder","256359","2020-10-21","18:00:00",""
"4135243","41.31","0.0019","41.31","0.0019","11.032","0.003","90","","90","","120","","16304","5","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C28 H45 B N7 O2 P W -","- C28 H45 B N7 O2 P W -","- C504 H810 B18 N126 O36 P18 W18 -","18","1","","Smith, Jacob A.; Schouten, Anna; Wilde, Justin H.; Westendorff, Karl S.; Dickie, Diane A.; Ess, Daniel H.; Harman, W. Dean","Experiments and Direct Dynamics Simulations that Probe η2-Arene/Aryl-Hydride Equilibria of Tungsten Benzene Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08032","","","0.71073","MoKα","","0.0811","0.0472","","","0.0867","0.0962","","","","","","1.008","","","","has coordinates,has disorder","256359","2020-10-21","18:00:00",""
"4135244","14.2624","0.0017","24.788","0.003","10.7571","0.0011","90","","99.649","0.003","90","","3749.2","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H54 B F3 N7 O P W -","- C32.993 H53.995 B F2.997 N7 O P W -","- C131.972 H215.98 B4 F11.988 N28 O4 P4 W4 -","4","1","","Smith, Jacob A.; Schouten, Anna; Wilde, Justin H.; Westendorff, Karl S.; Dickie, Diane A.; Ess, Daniel H.; Harman, W. Dean","Experiments and Direct Dynamics Simulations that Probe η2-Arene/Aryl-Hydride Equilibria of Tungsten Benzene Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08032","","","0.71073","MoKα","","0.1046","0.0491","","","0.0861","0.1008","","","","","","0.965","","","","has coordinates,has disorder","256359","2020-10-21","18:00:00",""
"4135245","11.465","0.002","11.7033","0.0018","13.76","0.002","66.976","0.004","89.73","0.004","88.613","0.004","1698.7","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H41 B F6 N7 O P W -","- C29 H41 B F6 N7 O P W -","- C58 H82 B2 F12 N14 O2 P2 W2 -","2","1","","Smith, Jacob A.; Schouten, Anna; Wilde, Justin H.; Westendorff, Karl S.; Dickie, Diane A.; Ess, Daniel H.; Harman, W. Dean","Experiments and Direct Dynamics Simulations that Probe η2-Arene/Aryl-Hydride Equilibria of Tungsten Benzene Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08032","","","0.71073","MoKα","","0.1363","0.0701","","","0.1267","0.1523","","","","","","1.045","","","","has coordinates,has disorder","256359","2020-10-21","18:00:00",""
"4135246","11.9475","0.0005","15.6261","0.0006","16.6514","0.0008","90","","94.128","0.001","90","","3100.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H47 B N7 O P W -","- C27 H47 B N7 O P W -","- C108 H188 B4 N28 O4 P4 W4 -","4","1","","Smith, Jacob A.; Schouten, Anna; Wilde, Justin H.; Westendorff, Karl S.; Dickie, Diane A.; Ess, Daniel H.; Harman, W. Dean","Experiments and Direct Dynamics Simulations that Probe η2-Arene/Aryl-Hydride Equilibria of Tungsten Benzene Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08032","","","0.71073","MoKα","","0.042","0.0266","","","0.0498","0.0538","","","","","","1.018","","","","has coordinates","256359","2020-10-21","18:00:00",""
"4135247","13.1384","0.0015","14.6742","0.0017","21.777","0.003","97.443","0.004","93.751","0.004","97.774","0.004","4110.1","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H110 B2 F6 N14 O7 P2 W2 -","- C69 H110 B2 F6 N14 O7 P2 W2 -","- C138 H220 B4 F12 N28 O14 P4 W4 -","2","1","","Smith, Jacob A.; Schouten, Anna; Wilde, Justin H.; Westendorff, Karl S.; Dickie, Diane A.; Ess, Daniel H.; Harman, W. Dean","Experiments and Direct Dynamics Simulations that Probe η2-Arene/Aryl-Hydride Equilibria of Tungsten Benzene Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08032","","","0.71073","MoKα","","0.1082","0.0489","","","0.0858","0.1016","","","","","","0.99","","","","has coordinates,has disorder","256359","2020-10-21","18:00:00",""
"4135248","32.3336","0.001","33.9663","0.0008","51.4808","0.0015","90","","90","","90","","56539","3","209","100","209","100","","","","","","","","3","F 2 2 2","F 2 2","22","","","","- C216 H200 N24 -","- C216 H200 N24 -","- C1728 H1600 N192 -","8","0.5","","Qu, Hang; Huang, Zheyu; Dong, Xue; Wang, Xinchang; Tang, Xiao; Li, Zhihao; Gao, Wenbin; Liu, Haoliang; Huang, Ruishan; Zhao, Zujin; Zhang, Hui; Yang, Liulin; Tian, Zhongqun; Cao, Xiaoyu","Truncated Face-Rotating Polyhedra Constructed from Pentagonal Pentaphenylpyrrole through Graph Theory.","Journal of the American Chemical Society","2020","142","38","16223","16228","10.1021/jacs.0c08243","","x-ray","1.54184","CuKα","","0.0973","0.0421","","","0.1162","0.1419","","","","","","0.881","","","","has coordinates","257122","2020-10-21","18:00:00",""
"4135249","32.3016","0.001","34.0393","0.0011","50.8944","0.0014","90","","90","","90","","55960","3","295","1","295","1","","","","","","","","3","F 2 2 2","F 2 2","22","","","","- C216 H200 N24 -","- C216 H200 N24 -","- C1728 H1600 N192 -","8","0.5","","Qu, Hang; Huang, Zheyu; Dong, Xue; Wang, Xinchang; Tang, Xiao; Li, Zhihao; Gao, Wenbin; Liu, Haoliang; Huang, Ruishan; Zhao, Zujin; Zhang, Hui; Yang, Liulin; Tian, Zhongqun; Cao, Xiaoyu","Truncated Face-Rotating Polyhedra Constructed from Pentagonal Pentaphenylpyrrole through Graph Theory.","Journal of the American Chemical Society","2020","142","38","16223","16228","10.1021/jacs.0c08243","","x-ray","1.54184","CuKα","","0.0596","0.0426","","","0.1238","0.1368","","","","","","0.975","","","","has coordinates","257122","2020-10-21","18:00:00",""
"4135250","10.5727","0.0002","9.663","0.0002","38.7804","0.0006","90","","91.267","0.002","90","","3960.99","0.13","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H25 N O5 -","- C39 H25 N O5 -","- C156 H100 N4 O20 -","4","1","","Qu, Hang; Huang, Zheyu; Dong, Xue; Wang, Xinchang; Tang, Xiao; Li, Zhihao; Gao, Wenbin; Liu, Haoliang; Huang, Ruishan; Zhao, Zujin; Zhang, Hui; Yang, Liulin; Tian, Zhongqun; Cao, Xiaoyu","Truncated Face-Rotating Polyhedra Constructed from Pentagonal Pentaphenylpyrrole through Graph Theory.","Journal of the American Chemical Society","2020","142","38","16223","16228","10.1021/jacs.0c08243","","x-ray","1.54184","CuKα","","0.0902","0.0854","","","0.2274","0.2316","","","","","","1.072","","","","has coordinates,has disorder","257122","2020-10-21","18:00:00",""
"4135251","31.963","0.0017","9.805","0.0005","15.0555","0.0008","90","","112.711","0.003","90","","4352.5","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 Br N2 O3 -","- C23 H25 Br N2 O3 -","- C184 H200 Br8 N16 O24 -","8","1","","Chan, Jessica Z.; Yesilcimen, Ahmet; Cao, Min; Zhang, Yuyang; Zhang, Bochao; Wasa, Masayuki","Direct Conversion of <i>N</i>-Alkylamines to <i>N</i>-Propargylamines through C-H Activation Promoted by Lewis Acid/Organocopper Catalysis: Application to Late-Stage Functionalization of Bioactive Molecules.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08599","","","1.54178","CuKα","","0.0826","0.0611","","","0.1753","0.1919","","","","","","1.071","","","","has coordinates,has disorder","256393","2020-10-21","18:00:00",""
"4135252","9.3543","0.0002","9.4109","0.0002","11.0915","0.0003","88.4588","0.0014","70.3721","0.0013","70.9637","0.0013","865.63","0.04","100","","100.02","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 B Br O2 -","- C16 H28 B Br O2 -","- C32 H56 B2 Br2 O4 -","2","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0246","0.0216","","","0.0526","0.0538","","","","","","1.039","","","","has coordinates","257117","2020-10-21","18:00:00",""
"4135253","38.7408","0.0009","6.1921","0.0001","17.4843","0.0004","90","","98.748","0.001","90","","4145.46","0.15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H33 B O3 -","- C23 H33 B O3 -","- C184 H264 B8 O24 -","8","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0482","0.0397","","","0.094","0.0992","","","","","","1.021","","","","has coordinates","257117","2020-10-21","18:00:00",""
"4135254","14.1029","0.0005","11.3545","0.0004","13.1218","0.0005","90","","98.427","0.003","90","","2078.53","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 B O4 -","- C22 H33 B O4 -","- C88 H132 B4 O16 -","4","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0719","0.0499","","","0.146","0.1631","","","","","","1.071","","","","has coordinates,has disorder","257117","2020-10-21","18:00:00",""
"4135255","6.2461","0.0002","6.9103","0.0002","22.7041","0.0006","90","","94.1036","0.0016","90","","977.45","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O S -","- C11 H12 O S -","- C44 H48 O4 S4 -","4","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0341","0.0305","","","0.0816","0.0839","","","","","","1.05","","","","has coordinates","257117","2020-10-21","18:00:00",""
"4135256","6.6532","0.0002","19.3711","0.0006","28.5231","0.0009","102.053","0.002","91.973","0.002","90.586","0.002","3592.31","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H29 B O4 -","- C17 H29 B O4 -","- C136 H232 B8 O32 -","8","4","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0834","0.0589","","","0.1519","0.1657","","","","","","1.024","","","","has coordinates","257117","2020-10-21","18:00:00",""
"4135257","10.0127","0.0003","11.0765","0.0004","10.3165","0.0004","90","","91.013","0.002","90","","1143.98","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 B O3 -","- C26 H33 B O3 -","- C52 H66 B2 O6 -","2","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0528","0.0417","","","0.0813","0.0868","","","","","","1.015","","","","has coordinates","257117","2020-10-21","18:00:00",""
"4135258","5.7066","0.0004","8.4577","0.0006","30.146","0.002","90","","90","","90","","1454.99","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Wang, Jian-Cheng; Kan, Xuan; Shang, Jin-Yan; Qiao, Hua; Dong, Yu-Bin","Catalytic Asymmetric Synthesis of Chiral Covalent Organic Frameworks from Prochiral Monomers for Heterogeneous Asymmetric Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07461","","x-ray","1.54178","CuKα","","0.055","0.0432","","","0.104","0.1175","","","","","","1.061","","","","has coordinates","256674","2020-10-21","18:00:00",""
"4135259","5.71444","0.00017","8.4542","0.0003","30.1647","0.0009","90","","90","","90","","1457.29","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Wang, Jian-Cheng; Kan, Xuan; Shang, Jin-Yan; Qiao, Hua; Dong, Yu-Bin","Catalytic Asymmetric Synthesis of Chiral Covalent Organic Frameworks from Prochiral Monomers for Heterogeneous Asymmetric Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07461","","","1.54184","CuKα","","0.0418","0.0381","","","0.0976","0.0995","","","","","","1.07","","","","has coordinates","256675","2020-10-21","18:00:00",""
"4135260","16.4049","0.0012","16.8227","0.0013","18.9102","0.0014","90","","87.971","0.002","90","","5215.5","0.7","145","","145","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B Cl2 N Si2 Zr -","- C22 H32 B Cl2 N Si2 Zr -","- C176 H256 B8 Cl16 N8 Si16 Zr8 -","8","2","","Zhang, Hui; Wang, Junyi; Yang, Weiguang; Xiang, Libo; Sun, Weicheng; Ming, Wenbo; Li, Yinxin; Lin, Zhenyang; Ye, Qing","Solution-Phase Synthesis of a Base-Free Benzoborirene and a Three-Dimensional Inorganic Analogue.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06538","","","0.71073","MoKα","","0.1347","0.072","","","0.1531","0.1764","","","","","","1.055","","","","has coordinates","256895","2020-10-21","18:00:00",""
"4135261","9.632","0.0005","10.2599","0.0006","13.7887","0.0007","91.44","0.002","98.925","0.002","99.721","0.002","1324.97","0.12","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H42 B N3 Si2 -","- C23 H42 B N3 Si2 -","- C46 H84 B2 N6 Si4 -","2","1","","Zhang, Hui; Wang, Junyi; Yang, Weiguang; Xiang, Libo; Sun, Weicheng; Ming, Wenbo; Li, Yinxin; Lin, Zhenyang; Ye, Qing","Solution-Phase Synthesis of a Base-Free Benzoborirene and a Three-Dimensional Inorganic Analogue.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06538","","","0.71073","MoKα","","0.0612","0.0427","","","0.0951","0.105","","","","","","1.025","","","","has coordinates","256895","2020-10-21","18:00:00",""
"4135262","9.5798","0.0009","20.813","0.002","10.2723","0.001","90","","107.734","0.003","90","","1950.8","0.3","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H28 B11 N Si2 -","- C8 H28 B11 N Si2 -","- C32 H112 B44 N4 Si8 -","4","1","","Zhang, Hui; Wang, Junyi; Yang, Weiguang; Xiang, Libo; Sun, Weicheng; Ming, Wenbo; Li, Yinxin; Lin, Zhenyang; Ye, Qing","Solution-Phase Synthesis of a Base-Free Benzoborirene and a Three-Dimensional Inorganic Analogue.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06538","","","0.71073","MoKα","","0.0722","0.0465","","","0.1082","0.1214","","","","","","1.034","","","","has coordinates","256895","2020-10-21","18:00:00",""
"4135263","9.6845","0.0005","19.2174","0.0011","16.6527","0.0008","90","","92.683","0.002","90","","3095.9","0.3","104","2","104.02","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H48 B11 N3 Si2 -","- C19 H48 B11 N3 Si2 -","- C76 H192 B44 N12 Si8 -","4","1","","Zhang, Hui; Wang, Junyi; Yang, Weiguang; Xiang, Libo; Sun, Weicheng; Ming, Wenbo; Li, Yinxin; Lin, Zhenyang; Ye, Qing","Solution-Phase Synthesis of a Base-Free Benzoborirene and a Three-Dimensional Inorganic Analogue.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06538","","","0.71073","MoKα","","0.0616","0.056","","","0.153","0.159","","","","","","1.0398","","","","has coordinates","256895","2020-10-21","18:00:00",""
"4135264","30.7532","0.0012","30.7532","0.0012","23.0554","0.0004","90","","90","","90","","21804.9","1.3","123","","123","","","","","","","","","6","I 4","I 4","79","","","","- C356 H208 F168 N24 O64 Tb8 -","- C356 H208 F168 N24 O64 Tb8 -","- C712 H416 F336 N48 O128 Tb16 -","2","0.25","","Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi","Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08229","","","0.71075","MoKα","","0.0659","0.0493","","","0.1079","0.1152","","","","","","1.026","","","","has coordinates,has disorder","256949","2020-10-21","18:00:00",""
"4135265","30.7803","0.0014","30.7803","0.0014","23.1544","0.0005","90","","90","","90","","21937.1","1.5","123","","123","","","","","","","","","6","I 4","I 4","79","","","","- C356 H224 Eu8 F168 N24 O64 -","- C356 H224 Eu8 F168 N24 O64 -","- C712 H448 Eu16 F336 N48 O128 -","2","0.25","","Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi","Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08229","","","0.71075","MoKα","","0.0722","0.0489","","","0.1057","0.1153","","","","","","1.018","","","","has coordinates,has disorder","256950","2020-10-21","18:00:00",""
"4135266","5.0938","0.0003","14.6539","0.001","18.6644","0.0012","80.974","0.006","89.293","0.006","82.793","0.006","1365.03","0.15","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H9 F21 O6 -","- C24 H9 F21 O6 -","- C48 H18 F42 O12 -","2","1","","Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi","Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08229","","","0.71075","MoKα","","0.08","0.0579","","","0.1458","0.1598","","","","","","1.065","","","","has coordinates","256951","2020-10-21","18:00:00",""
"4135267","30.7047","0.0018","30.7047","0.0018","23.1299","0.0007","90","","90","","90","","21806.4","1.9","123","","123","","","","","","","","","6","I 4","I 4","79","","","","- C356 H204 Eu8 F168 N24 O64 -","- C356 H204 Eu8 F168 N24 O64 -","- C712 H408 Eu16 F336 N48 O128 -","2","0.25","","Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi","Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08229","","","0.71075","MoKα","","0.1044","0.067","","","0.1502","0.1673","","","","","","1.033","","","","has coordinates,has disorder","256952","2020-10-21","18:00:00",""
"4135268","30.7233","0.0013","30.7233","0.0013","23.0251","0.0005","90","","90","","90","","21733.9","1.4","123","","123","","","","","","","","","6","I 4","I 4","79","","","","- C356 H208 F168 N24 O64 Tb8 -","- C356 H208 F168 N24 O64 Tb8 -","- C712 H416 F336 N48 O128 Tb16 -","2","0.25","","Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi","Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08229","","","0.71075","MoKα","","0.0746","0.0489","","","0.1031","0.1171","","","","","","1.039","","","","has coordinates,has disorder","256953","2020-10-21","18:00:00",""
"4135269","24.146","0.001","9.8138","0.0004","7.8489","0.0003","90","","91.965","0.004","90","","1858.81","0.13","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C14 H20 Cl2 Fe I N Pb -","- C14 H20 Cl2 Fe I N Pb -","- C56 H80 Cl8 Fe4 I4 N4 Pb4 -","4","1","","Zhang, Zhi-Xu; Zhang, Han-Yue; Zhang, Wei; Chen, Xiao-Gang; Wang, Hui; Xiong, Ren-Gen","Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap.","Journal of the American Chemical Society","2020","142","41","17787","17794","10.1021/jacs.0c09288","","","0.71073","MoKα","","0.0441","0.0357","","","0.1007","0.1035","","","","","","1.102","","","","has coordinates","258709","2020-11-04","01:23:00",""
"4135270","25.8959","0.0016","10.0928","0.0005","7.944","0.0004","90","","93.798","0.005","90","","2071.7","0.19","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H20 Fe I3 N Pb -","- C14 H20 Fe I3 N Pb -","- C56 H80 Fe4 I12 N4 Pb4 -","4","1","","Zhang, Zhi-Xu; Zhang, Han-Yue; Zhang, Wei; Chen, Xiao-Gang; Wang, Hui; Xiong, Ren-Gen","Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap.","Journal of the American Chemical Society","2020","142","41","17787","17794","10.1021/jacs.0c09288","","","0.71073","MoKα","","0.0637","0.0611","","","0.1742","0.1764","","","","","","1.099","","","","has coordinates","258709","2020-11-04","01:23:01",""
"4135271","25.248","0.003","10.0268","0.0007","7.9347","0.0007","90","","92.55","0.009","90","","2006.7","0.3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C14 H20 Br2 Fe I N Pb -","- C14 H20 Br2 Fe I N Pb -","- C56 H80 Br8 Fe4 I4 N4 Pb4 -","4","1","","Zhang, Zhi-Xu; Zhang, Han-Yue; Zhang, Wei; Chen, Xiao-Gang; Wang, Hui; Xiong, Ren-Gen","Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap.","Journal of the American Chemical Society","2020","142","41","17787","17794","10.1021/jacs.0c09288","","","0.71073","MoKα","","0.0499","0.0468","","","0.1324","0.1341","","","","","","1.128","","","","has coordinates","258709","2020-11-04","01:23:01",""
"4135272","11.9642","0.0002","26.3927","0.0004","21.6924","0.0003","90","","90.1923","0.0007","90","","6849.72","0.18","170","2","170.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71.5 H73.5 Cl4.5 N2 O8 -","- C71.5 H73.5 Cl4.5 N2 O8 -","- C286 H294 Cl18 N8 O32 -","4","2","","Zhu, Huangtianzhi; Li, Qi; Shi, Bingbing; Xing, Hao; Sun, Yan; Lu, Shuai; Shangguan, Liqing; Li, Xiaopeng; Huang, Feihe; Stang, Peter J.","Formation of Planar Chiral Platinum Triangles via Pillar[5]arene for Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","142","41","17340","17345","10.1021/jacs.0c09598","","","1.34139","GaKα","","0.0713","0.0634","","","0.1692","0.1764","","","","","","1.039","","","","has coordinates","258708","2020-11-04","01:22:48",""
"4135273","11.9689","0.0002","26.3969","0.0005","21.6869","0.0004","90","","90.193","0.001","90","","6851.8","0.2","170","2","170.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71.5 H73.5 Cl4.5 N2 O8 -","- C71.5 H73.5 Cl4.5 N2 O8 -","- C286 H294 Cl18 N8 O32 -","4","2","","Zhu, Huangtianzhi; Li, Qi; Shi, Bingbing; Xing, Hao; Sun, Yan; Lu, Shuai; Shangguan, Liqing; Li, Xiaopeng; Huang, Feihe; Stang, Peter J.","Formation of Planar Chiral Platinum Triangles via Pillar[5]arene for Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","142","41","17340","17345","10.1021/jacs.0c09598","","","1.34139","GaKα","","0.0737","0.0686","","","0.1877","0.1921","","","","","","1.027","","","","has coordinates","258708","2020-11-04","01:22:48",""
"4135274","11.0288","0.0002","14.2907","0.0003","14.774","0.0003","70.148","0.001","70.769","0.001","84.111","0.001","2067.82","0.07","170","","170","","","","","","","","","5","P 1","P 1","1","","","","- C53 H33 Cl3 N4 O -","- C53 H33 Cl3 N4 O -","- C106 H66 Cl6 N8 O2 -","2","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","1.54178","CuKα","","0.0743","0.0578","","","0.143","0.1605","","","","","","1.005","","","","has coordinates,has disorder","258707","2020-11-04","01:22:24",""
"4135275","10.7802","0.0004","16.7891","0.0006","23.3522","0.0009","88.514","0.001","81.094","0.001","73.999","0.001","4013.2","0.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H34 Cl2 N4 O -","- C53 H34 Cl2 N4 O -","- C212 H136 Cl8 N16 O4 -","4","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.155","0.1076","","","0.2889","0.3298","","","","","","1.022","","","","has coordinates","258707","2020-11-04","01:22:28",""
"4135276","9.2451","0.0007","20.9753","0.0016","37.803","0.003","90","","90","","90","","7330.7","1","100","2","100.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C52 H32 N4 S -","- C52 H32 N4 S -","- C416 H256 N32 S8 -","8","1","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.1346","0.0627","","","0.1263","0.1601","","","","","","0.996","","","","has coordinates","258707","2020-11-04","01:22:28",""
"4135277","10.9982","0.0009","16.8852","0.0014","23.75","0.002","88.085","0.003","79.744","0.003","73.887","0.002","4169","0.6","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C105 H65 Cl3 N8 S2 -","- C105 H65 Cl3 N8 S2 -","- C210 H130 Cl6 N16 S4 -","2","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.157","0.0904","","","0.2195","0.2716","","","","","","1.017","","","","has coordinates,has disorder","258707","2020-11-04","01:22:28",""
"4135278","10.7744","0.0011","13.9056","0.0015","15.4119","0.0015","109.438","0.003","107.172","0.003","93.623","0.003","2046.7","0.4","170","","170","","","","","","","","","5","P 1","P 1","1","","","","- C53 H34 Cl2 N4 S -","- C53 H34 Cl2 N4 S -","- C106 H68 Cl4 N8 S2 -","2","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.169","0.0927","","","0.2361","0.3014","","","","","","1.015","","","","has coordinates,has disorder","258707","2020-11-04","01:22:28",""
"4135279","10.8332","0.0004","15.6637","0.0006","43.2298","0.0016","90","","92.527","0.002","90","","7328.4","0.5","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H32 N4 O -","- C52 H32 N4 O -","- C416 H256 N32 O8 -","8","4","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","1.54178","CuKα","","0.0982","0.0945","","","0.2557","0.2579","","","","","","1.074","","","","has coordinates","258707","2020-11-04","01:22:28",""
"4135280","8.9752","0.0003","12.9775","0.0004","14.8463","0.0005","71.874","0.001","85.865","0.001","84.038","0.001","1633.08","0.09","170","2","170","","","","","","","","","6","P 1","P 1","1","","","","- C69 H58 Cl2 F12 N4 O6 -","- C69 H58 Cl2 F12 N4 O6 -","- C69 H58 Cl2 F12 N4 O6 -","1","1","","Yao, Qi-Jun; Xie, Pei-Pei; Wu, Yong-Jie; Feng, Ya-Lan; Teng, Ming-Ya; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomeric Anilides via Pd(II)-Catalyzed Asymmetric C-H Olefination.","Journal of the American Chemical Society","2020","142","42","18266","18276","10.1021/jacs.0c09400","","","1.54178","CuKα","","0.0555","0.0551","","","0.1508","0.1514","","","","","","1.018","","","","has coordinates","258712","2020-11-04","01:24:51",""
"4135281","7.7185","0.0002","19.1801","0.0006","8.914","0.0003","90","","97.217","0.001","90","","1309.19","0.07","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H26 N2 O5 -","- C31 H26 N2 O5 -","- C62 H52 N4 O10 -","2","1","","Yao, Qi-Jun; Xie, Pei-Pei; Wu, Yong-Jie; Feng, Ya-Lan; Teng, Ming-Ya; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomeric Anilides via Pd(II)-Catalyzed Asymmetric C-H Olefination.","Journal of the American Chemical Society","2020","142","42","18266","18276","10.1021/jacs.0c09400","","","1.54178","CuKα","","0.0287","0.0287","","","0.0731","0.0732","","","","","","1.064","","","","has coordinates","258712","2020-11-04","01:24:51",""
"4135282","25.4658","0.0013","25.5043","0.0012","25.6054","0.0012","67.082","0.004","85.207","0.004","84.085","0.004","15219","1.4","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C444 H224 Au110 F144 N2 -","- C432 H194 Au110 F144 -","- C432 H194 Au110 F144 -","1","0.5","","Wang, Jia-Qi; Shi, Shuang; He, Rui-Lin; Yuan, Shang-Fu; Yang, Gao-Yuan; Liang, Gui-Jie; Wang, Quan-Ming","Total Structure Determination of the Largest Alkynyl-Protected fcc Gold Nanocluster Au<sub>110</sub> and the Study on Its Ultrafast Excited-State Dynamics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07397","","x-ray","1.54184","CuKα","","0.1595","0.0836","","","0.1971","0.2392","","","","","","0.787","","","","has coordinates","258306","2020-10-21","18:00:00",""
"4135283","7.818","0.0007","10.0517","0.0009","13.0676","0.0011","95.658","0.002","91.485","0.002","94.652","0.002","1017.94","0.15","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H28 B10 -","- C17 H24 B10 -","- C34 H48 B20 -","2","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1212","0.0809","","","0.2417","0.2847","","","","","","1.035","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135284","11.0304","0.0013","9.9701","0.0012","15.231","0.0017","90","","107.563","0.008","90","","1596.9","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 B10 -","- C11 H18 B10 -","- C44 H72 B40 -","4","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1292","0.066","","","0.1595","0.198","","","","","","1.01","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135285","10.5403","0.0005","14.201","0.0005","15.1636","0.0006","65.4693","0.0019","75.0948","0.0019","71.5823","0.0019","1938.09","0.14","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H26 B10 -","- C15 H26 B10 -","- C60 H104 B40 -","4","2","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1255","0.0832","","","0.25","0.2931","","","","","","1.028","","","","has coordinates,has disorder","258711","2020-11-04","01:24:27",""
"4135286","16.7399","0.0007","12.5493","0.0005","22.3515","0.0011","90","","90","","90","","4695.5","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H34 B10 -","- C19 H34 B10 -","- C152 H272 B80 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1748","0.0936","","","0.246","0.2951","","","","","","1.023","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135287","15.046","0.0003","7.8624","0.0002","15.3076","0.0003","90","","95.3224","0.0012","90","","1803.05","0.07","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 B10 -","- C15 H20 B10 -","- C60 H80 B40 -","4","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.0593","0.0503","","","0.1416","0.1512","","","","","","1.072","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135288","26.7508","0.0014","8.5536","0.0004","25.4822","0.0012","90","","118.6","0.0015","90","","5119.3","0.4","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H37 B10 N O -","- C20 H37 B10 N O -","- C160 H296 B80 N8 O8 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1008","0.0601","","","0.136","0.157","","","","","","1.036","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135289","16.4151","0.0008","12.5821","0.0006","21.684","0.0012","90","","90","","90","","4478.5","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H32 B10 -","- C18 H32 B10 -","- C144 H256 B80 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.0996","0.0625","","","0.1652","0.1942","","","","","","1.024","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135290","30.0485","0.0014","10.8314","0.0005","23.7342","0.0011","90","","102.004","0.0015","90","","7555.8","0.6","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H50 B20 -","- C28 H50 B20 -","- C224 H400 B160 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1013","0.0657","","","0.1756","0.206","","","","","","1.031","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135291","15.086","0.0007","12.9393","0.0006","11.5931","0.0005","90","","102.262","0.0014","90","","2211.37","0.17","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 B10 -","- C18 H32 B10 -","- C72 H128 B40 -","4","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1014","0.0599","","","0.137","0.1618","","","","","","1.051","","","","has coordinates,has disorder","258711","2020-11-04","01:24:27",""
"4135292","14.3162","0.0005","7.2812","0.0003","19.0278","0.0007","90","","90","","90","","1983.44","0.13","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H26 B10 O -","- C15 H26 B10 O -","- C60 H104 B40 O4 -","4","0.5","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.0656","0.0564","","","0.1589","0.1723","","","","","","1.06","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135293","7.0829","0.0002","24.8661","0.0007","10.414","0.0003","90","","130.943","0.0011","90","","1385.45","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 B20 -","- C16 H30 B20 -","- C32 H60 B40 -","2","0.5","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.077","0.0557","","","0.1557","0.1715","","","","","","1.056","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135294","13.2198","0.0009","19.9501","0.0014","21.0748","0.0014","69.421","0.007","75.275","0.006","72.132","0.006","4885.3","0.6","223","","223","","","","","","","","","6","P -1","-P 1","2","","","","- C89 H76 Cl4 N6 O3 S16 -","- C89 H76 Cl4 N6 O3 S16 -","- C178 H152 Cl8 N12 O6 S32 -","2","1","","Lee, Ji Yoon; Root, Harrison D.; Ali, Rashid; An, Won; Lynch, Vincent M.; Bähring, Steffen; Kim, In Su; Sessler, Jonathan L.; Park, Jung Su","Ratiometric Turn-On Fluorophore Displacement Ensembles for Nitroaromatic Explosives Detection","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08106","","","1.54184","CuKα","","0.188","0.0726","","","0.1776","0.2447","","","","","","0.977","","","","has coordinates","258429","2020-10-21","18:00:00",""
"4135295","17.7127","0.0009","20.83","0.0011","23.3893","0.0012","77.227","0.004","73.33","0.005","66.176","0.005","7507.8","0.7","223","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C136 H120 N8 O8 S16 -","- C136 H120 N8 O8 S16 -","- C272 H240 N16 O16 S32 -","2","1","","Lee, Ji Yoon; Root, Harrison D.; Ali, Rashid; An, Won; Lynch, Vincent M.; Bähring, Steffen; Kim, In Su; Sessler, Jonathan L.; Park, Jung Su","Ratiometric Turn-On Fluorophore Displacement Ensembles for Nitroaromatic Explosives Detection","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08106","","x-ray","0.71073","MoKα","","0.1223","0.058","","","0.1407","0.1603","","","","","","0.907","","","","has coordinates,has disorder","258430","2020-10-21","18:00:00",""
"4135296","20.4388","0.0003","20.4388","0.0003","31.2788","0.0005","90","","90","","90","","13066.5","0.3","223.15","","223.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C116 H112 N8 O8 S16 -","- C116 H112 N8 O8 S16 -","- C464 H448 N32 O32 S64 -","4","0.25","","Lee, Ji Yoon; Root, Harrison D.; Ali, Rashid; An, Won; Lynch, Vincent M.; Bähring, Steffen; Kim, In Su; Sessler, Jonathan L.; Park, Jung Su","Ratiometric Turn-On Fluorophore Displacement Ensembles for Nitroaromatic Explosives Detection","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08106","","","1.54184","CuKα","","0.0661","0.0453","","","0.1249","0.1366","","","","","","1.028","","","","has coordinates,has disorder","258431","2020-10-21","18:00:00",""
"4135297","13.2524","0.0013","16.566","0.0016","17.6421","0.0018","62.187","0.004","75.974","0.004","85.011","0.004","3322","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C148 H174 Cl8 Cu2 N8 -","- C148 H174 Cl8 Cu2 N8 -","- C148 H174 Cl8 Cu2 N8 -","1","0.5","","Bakhoda, Abolghasem; Okoromoba, Otome E.; Greene, Christine; Raghibi Boroujeni, Mahdi; Bertke, Jeffery A.; Warren, Timothy H.","A Three Coordinate Copper(II) Alkynyl Complex in C-C Bond Formation: The Sesquicentennial of the Glaser Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07137","","","0.71073","MoKα","","0.2775","0.0937","","","0.1628","0.222","","","","","","0.955","","","","has coordinates,has disorder","258463","2020-10-21","18:00:00",""
"4135298","8.401","0.004","8.962","0.004","15.78","0.008","103.367","0.009","93.159","0.014","116.101","0.01","1021.2","0.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H18 Cl2 -","- C27 H18 Cl2 -","- C54 H36 Cl4 -","2","1","","Bakhoda, Abolghasem; Okoromoba, Otome E.; Greene, Christine; Raghibi Boroujeni, Mahdi; Bertke, Jeffery A.; Warren, Timothy H.","A Three Coordinate Copper(II) Alkynyl Complex in C-C Bond Formation: The Sesquicentennial of the Glaser Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07137","","","0.71073","MoKα","","0.0338","0.0296","","","0.0747","0.0775","","","","","","1.04","","","","has coordinates","258464","2020-10-21","18:00:00",""
"4135299","29.325","0.002","10.638","0.0008","23.8621","0.0018","90","","90.545","0.003","90","","7443.7","0.9","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H100 Cl4 Cu2 N4 -","- C79 H100 Cl4 Cu2 N4 -","- C316 H400 Cl16 Cu8 N16 -","4","1","","Bakhoda, Abolghasem; Okoromoba, Otome E.; Greene, Christine; Raghibi Boroujeni, Mahdi; Bertke, Jeffery A.; Warren, Timothy H.","A Three Coordinate Copper(II) Alkynyl Complex in C-C Bond Formation: The Sesquicentennial of the Glaser Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07137","","","0.71073","MoKα","","0.1414","0.0854","","","0.1662","0.1843","","","","","","1.107","","","","has coordinates,has disorder","258465","2020-10-21","18:00:00",""
"4135300","8.0553","0.0005","10.2611","0.0006","10.6161","0.0007","90","","90","","90","","877.49","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-(S,S,S)-1-methyl-1-ethynyl-1- (5-methyl-tetrahydrofuran-2-yl)-methanol","","- C9 H14 O2 -","- C9 H14 O2 -","- C36 H56 O8 -","4","1","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","Mo-Kα","","0.0521","0.0384","","","0.0918","0.0988","","","","","","1.037","","","","has coordinates","258710","2020-11-04","01:23:31",""
"4135301","13.8465","0.0006","6.4641","0.0003","11.3247","0.0005","90","","107.264","0.002","90","","967.95","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(trimethylsilyl)methyl-(5H)-furan-2-one","","- C8 H14 O2 Si -","- C8 H14 O2 Si -","- C32 H56 O8 Si4 -","4","1","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","1.54178","Cu-Kα","","0.0368","0.0322","","","0.0827","0.0863","","","","","","1.046","","","","has coordinates","258710","2020-11-04","01:23:34",""
"4135302","12.5303","0.0015","5.8923","0.0005","20.003","0.003","90","","91.647","0.01","90","","1476.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-spirocyclohexane-3(H)-4(phenylcarboxy)-5(methoxy)-furan","","- C17 H22 O3 -","- C17 H22 O3 -","- C68 H88 O12 -","4","1","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","MoKα","","0.0583","0.0383","","","0.0892","0.0965","","","","","","1.039","","","","has coordinates","258710","2020-11-04","01:23:34",""
"4135303","19.802","0.003","16.26","0.002","23.261","0.002","90","","107.91","0.008","90","","7126.6","1.6","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(hapto-3-(1-(methoxycyclohexyl)-hex-5-ene-2-ylidenyl))- (hapto-5-pentamethylcyclopentadienyl)-chloro-ruthenium(ii)","","- C25 H41 Cl O Ru -","- C25 H41 Cl O Ru -","- C300 H492 Cl12 O12 Ru12 -","12","6","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","MoKα","","0.1196","0.0809","","","0.1991","0.2286","","","","","","1.061","","","","has coordinates,has disorder","258710","2020-11-04","01:23:34",""
"4135304","8.9181","0.0004","21.7716","0.0009","9.155","0.0004","90","","94.822","0.002","90","","1771.26","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","rac-(S,S,R)-1-methyl-1-ethynyl-1- (5-methyl-tetrahydrofuran-2-yl)-methanol","","- C9 H14 O2 -","- C9 H14 O2 -","- C72 H112 O16 -","8","2","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","Mo-Kα","","0.0657","0.043","","","0.1111","0.1237","","","","","","1.034","","","","has coordinates,has disorder","258710","2020-11-04","01:23:34",""
"4135305","10.5379","0.0006","15.712","0.001","20.9915","0.0014","89.81","0.003","89.849","0.003","84.937","0.003","3462","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1,2-di(triemthylsilyl)-3,4-di(3,3-dimethyl- prop-2-en-1-yl-carboxylato)-cyclobutadienyl- pentamethylcyclopentadienyl-chloro-ruthenium(II)","","- C32 H51 Cl O4 Ru Si2 -","- C32 H51 Cl O4 Ru Si2 -","- C128 H204 Cl4 O16 Ru4 Si8 -","4","2","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","Mo-Kα","","0.0792","0.046","","","0.1014","0.1147","","","","","","1.013","","","","has coordinates,has disorder","258710","2020-11-04","01:23:35",""
"4135306","11.3802","0.0003","12.6447","0.0003","12.9434","0.0004","85.1416","0.0015","66.2419","0.0013","88.5246","0.0015","1698.51","0.08","105.13","","105.13","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H26 B Br3 N2 -","- C35 H26 B Br3 N2 -","- C70 H52 B2 Br6 N4 -","2","1","","Atilgan, Ahmet; Cetin, M. Mustafa; Yu, Jierui; Beldjoudi, Yassine; Liu, Jian; Stern, Charlotte L.; Cetin, Furkan M.; Islamoglu, Timur; Farha, Omar K.; Deria, Pravas; Stoddart, J. Fraser; Hupp, Joseph T.","Post-Synthetically Elaborated BODIPY-based Porous Organic Polymers (POPs) for Photochemical Detoxification of a Sulfur Mustard Simulant.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07784","","","0.71073","MoKα","","0.0423","0.0307","","","0.0727","0.0763","","","","","","1.056","","","","has coordinates","258473","2020-10-21","18:00:00",""
"4135307","17.398","0.003","23.989","0.004","9.6741","0.0012","90","","112.936","0.01","90","","3718.4","1","100","2","99.93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H31 B Br3 I2 N3 O -","- C38 H31 B Br3 I2 N3 O -","- C152 H124 B4 Br12 I8 N12 O4 -","4","0.5","","Atilgan, Ahmet; Cetin, M. Mustafa; Yu, Jierui; Beldjoudi, Yassine; Liu, Jian; Stern, Charlotte L.; Cetin, Furkan M.; Islamoglu, Timur; Farha, Omar K.; Deria, Pravas; Stoddart, J. Fraser; Hupp, Joseph T.","Post-Synthetically Elaborated BODIPY-based Porous Organic Polymers (POPs) for Photochemical Detoxification of a Sulfur Mustard Simulant.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07784","","","1.54178","CuKα","","0.0719","0.0589","","","0.15","0.1597","","","","","","1.056","","","","has coordinates,has disorder","258474","2020-10-21","18:00:00",""
"4135308","17.388","0.002","24.134","0.003","9.624","0.0011","90","","115.472","0.005","90","","3646.1","0.8","100","2","99.93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H31 B Br5 N3 O -","- C38 H31 B Br4.99 N3 O -","- C152 H124 B4 Br19.96 N12 O4 -","4","0.5","","Atilgan, Ahmet; Cetin, M. Mustafa; Yu, Jierui; Beldjoudi, Yassine; Liu, Jian; Stern, Charlotte L.; Cetin, Furkan M.; Islamoglu, Timur; Farha, Omar K.; Deria, Pravas; Stoddart, J. Fraser; Hupp, Joseph T.","Post-Synthetically Elaborated BODIPY-based Porous Organic Polymers (POPs) for Photochemical Detoxification of a Sulfur Mustard Simulant.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07784","","","1.54178","CuKα","","0.0327","0.0315","","","0.0791","0.08","","","","","","1.053","","","","has coordinates,has disorder","258475","2020-10-21","18:00:00",""
"4135309","13.8415","0.0012","15.1909","0.0013","16.21","0.0014","90","","109.352","0.006","90","","3215.8","0.5","99.97","","99.97","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 B Br I2 N2 O4 S -","- C27 H37 B Br I2 N2 O4 S -","- C108 H148 B4 Br4 I8 N8 O16 S4 -","4","1","","Atilgan, Ahmet; Cetin, M. Mustafa; Yu, Jierui; Beldjoudi, Yassine; Liu, Jian; Stern, Charlotte L.; Cetin, Furkan M.; Islamoglu, Timur; Farha, Omar K.; Deria, Pravas; Stoddart, J. Fraser; Hupp, Joseph T.","Post-Synthetically Elaborated BODIPY-based Porous Organic Polymers (POPs) for Photochemical Detoxification of a Sulfur Mustard Simulant.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07784","","","1.54178","CuKα","","0.0595","0.0478","","","0.1202","0.1276","","","","","","1.027","","","","has coordinates","258476","2020-10-21","18:00:00",""
"4135310","10.54","0.04","13.48","0.05","14.6","0.1","76.4","0.2","82.4","0.2","76.5","0.2","1954","17","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C102 B2 N2 -","- C102 B2 N2 -","- C102 B2 N2 -","1","0.5","","Lu, Hua; Nakamuro, Takayuki; Yamashita, Keitaro; Yanagisawa, Haruaki; Nureki, Osamu; Kikkawa, Masahide; Gao, Han; Tian, Jiangwei; Shang, Rui; Nakamura, Eiichi","B/N-Doped p-Arylenevinylene Chromophores: Synthesis, Properties, and Microcrystal Electron Crystallographic Study","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10337","","","0.0251","200keVelectrons","","0.3542","0.2429","","","0.5948","0.6149","","","","","","2.32","","","","has coordinates","258562","2020-10-22","22:57:10",""
"4135311","10.6701","0.0006","15.1062","0.0009","8.7738","0.0006","90","","102.335","0.004","90","","1381.56","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 B N -","- C38 H28 B N -","- C76 H56 B2 N2 -","2","0.5","","Lu, Hua; Nakamuro, Takayuki; Yamashita, Keitaro; Yanagisawa, Haruaki; Nureki, Osamu; Kikkawa, Masahide; Gao, Han; Tian, Jiangwei; Shang, Rui; Nakamura, Eiichi","B/N-Doped p-Arylenevinylene Chromophores: Synthesis, Properties, and Microcrystal Electron Crystallographic Study","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10337","","","1.54178","CuKα","","0.0654","0.0487","","","0.1271","0.1332","","","","","","1.02","","","","has coordinates","258563","2020-10-22","22:57:30",""
"4135312","10.7685","0.0006","5.8871","0.0003","16.4455","0.0009","90","","98.501","0.004","90","","1031.11","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H24 O3 -","- C27 H24 O3 -","- C54 H48 O6 -","2","1","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","1.54178","CuKα","","0.1062","0.0713","","","0.167","0.1896","","","","","","1.018","","","","has coordinates","258627","2020-10-29","23:45:43",""
"4135313","15.7106","0.001","7.0972","0.0004","11.3233","0.0007","90","","90","","90","","1262.56","0.13","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","1","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","1.54178","CuKα","","0.0308","0.0303","","","0.0787","0.0793","","","","","","1.092","","","","has coordinates,has disorder","258628","2020-10-29","23:46:07",""
"4135314","11.4685","0.0002","11.4685","0.0002","42.486","0.001","90","","90","","120","","4839.38","0.16","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C18 H14 Br N O3 -","- C18 H14 Br N O3 -","- C216 H168 Br12 N12 O36 -","12","2","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","0.71073","MoKα","","0.0776","0.0425","","","0.0645","0.0757","","","","","","0.913","","","","has coordinates","258629","2020-10-29","23:46:31",""
"4135315","40.7287","0.0011","5.4786","0.0001","14.2667","0.0004","90","","90","","90","","3183.42","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C144 H136 N8 O16 S8 -","8","2","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","0.71073","MoKα","","0.122","0.0673","","","0.1234","0.1454","","","","","","1.048","","","","has coordinates,has disorder","258630","2020-10-29","23:46:56",""
"4135316","9.3925","0.0007","22.0153","0.0017","9.7818","0.0007","90","","91.787","0.002","90","","2021.7","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H19 N O2 -","- C26 H19 N O2 -","- C104 H76 N4 O8 -","4","2","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","1.54178","CuKα","","0.0303","0.0303","","","0.0793","0.0794","","","","","","1.027","","","","has coordinates","258631","2020-10-29","23:47:18",""
"4135317","6.1262","0.0004","7.1062","0.0005","31.219","0.002","90","","90","","90","","1359.09","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 F N O2 -","- C17 H12 F N O2 -","- C68 H48 F4 N4 O8 -","4","1","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","1.54178","CuKα","","0.0345","0.0333","","","0.0825","0.0837","","","","","","1.057","","","","has coordinates","258632","2020-10-29","23:47:40",""
"4135318","5.8908","0.0003","7.3386","0.0004","33.7998","0.0017","90","","90","","90","","1461.17","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Br N O2 -","- C17 H12 Br N O2 -","- C68 H48 Br4 N4 O8 -","4","1","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","0.71073","MoKα","","0.0766","0.0375","","","0.0733","0.0866","","","","","","0.934","","","","has coordinates","258633","2020-10-29","23:48:04",""
"4135319","13.7935","0.0005","18.27","0.0006","18.3454","0.0007","91.909","0.003","91.064","0.003","101.56","0.003","4525.4","0.3","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C71 H152 N4 O16 Si4 U -","- C71 H152 N4 O16 Si4 U -","- C142 H304 N8 O32 Si8 U2 -","2","1","","Barluzzi, Luciano; Scopelliti, Rosario; Mazzanti, Marinella","Photochemical Synthesis of a Stable Terminal Uranium(VI) Nitride","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09814","","x-ray","0.71073","MoKα","","0.0923","0.0561","","","0.1184","0.1363","","","","","","1.097","","","","has coordinates,has disorder","258634","2020-10-29","23:48:29",""
"4135320","14.2473","0.0003","24.0781","0.0005","27.7546","0.0007","90.6362","0.0019","93.3686","0.0018","91.8783","0.0017","9498.8","0.4","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66 H144 K N5 O22 Si4 U -","- C66 H144 K N5 O22 Si4 U -","- C264 H576 K4 N20 O88 Si16 U4 -","4","2","","Barluzzi, Luciano; Scopelliti, Rosario; Mazzanti, Marinella","Photochemical Synthesis of a Stable Terminal Uranium(VI) Nitride","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09814","","x-ray","0.71073","MoKα","","0.0877","0.0578","","","0.1227","0.1347","","","","","","1.05","","","","has coordinates,has disorder","258635","2020-10-29","23:48:58",""
"4135321","13.8047","0.0002","18.2614","0.0004","18.3619","0.0004","91.9047","0.0017","91.0275","0.0016","101.261","0.0016","4535.87","0.16","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72 H152 N2 O17 Si4 U -","- C72 H152 N2 O17 Si4 U -","- C144 H304 N4 O34 Si8 U2 -","2","1","","Barluzzi, Luciano; Scopelliti, Rosario; Mazzanti, Marinella","Photochemical Synthesis of a Stable Terminal Uranium(VI) Nitride","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09814","","x-ray","0.71073","MoKα","","0.0575","0.0379","","","0.0793","0.089","","","","","","1.047","","","","has coordinates,has disorder","258636","2020-10-29","23:49:26",""
"4135322","14.10407","0.00017","16.7659","0.0002","19.9097","0.0002","88.6774","0.0009","81.8561","0.001","86.4823","0.001","4651.24","0.09","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C78 H160 N2 O16 Si4 U -","- C78 H160 N2 O16 Si4 U -","- C156 H320 N4 O32 Si8 U2 -","2","1","","Barluzzi, Luciano; Scopelliti, Rosario; Mazzanti, Marinella","Photochemical Synthesis of a Stable Terminal Uranium(VI) Nitride","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09814","","x-ray","1.54184","CuKα","","0.0203","0.0188","","","0.044","0.0446","","","","","","1.034","","","","has coordinates,has disorder","258637","2020-10-29","23:49:54",""
"4135323","11.738","0.0003","4.4064","0.0001","27.5661","0.0008","90","","94.026","0.003","90","","1422.26","0.06","295.4","0.4","295.4","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Xie, Ming-Sheng; Huang, Bin; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Rational Design of 2-Substituted DMAP-<i>N</i>-oxides as Acyl Transfer Catalysts: Dynamic Kinetic Resolution of Azlactones.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09075","","x-ray","1.54184","CuKα","","0.0734","0.0613","","","0.1856","0.1907","","","","","","1.256","","","","has coordinates","258651","2020-10-30","23:47:19",""
"4135324","16.2461","0.0002","16.402","0.0002","19.8014","0.0002","90","","90","","90","","5276.45","0.11","170","0.1","170","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H77 Cl N8 O6 -","- C52 H77 Cl N8 O6 -","- C208 H308 Cl4 N32 O24 -","4","1","","Xie, Ming-Sheng; Huang, Bin; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Rational Design of 2-Substituted DMAP-<i>N</i>-oxides as Acyl Transfer Catalysts: Dynamic Kinetic Resolution of Azlactones.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09075","","x-ray","1.54184","CuKα","","0.0564","0.0485","","","0.1235","0.1305","","","","","","1.042","","","","has coordinates,has disorder","258652","2020-10-30","23:47:49",""
"4135325","5.49233","0.00005","12.68068","0.00013","30.6855","0.0003","90","","90","","90","","2137.14","0.04","290.8","0.8","290.8","0.8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C88 H112 N16 O16 -","4","1","","Xie, Ming-Sheng; Huang, Bin; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Rational Design of 2-Substituted DMAP-<i>N</i>-oxides as Acyl Transfer Catalysts: Dynamic Kinetic Resolution of Azlactones.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09075","","x-ray","1.54184","CuKα","","0.0449","0.0418","","","0.111","0.112","","","","","","1.067","","","","has coordinates","258653","2020-10-30","23:48:13",""
"4135326","8.4358","0.0003","11.8215","0.0005","11.8878","0.0005","89.4274","0.0014","84.7711","0.0013","88.91","0.0013","1180.31","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N Rh -","- C30 H30 N Rh -","- C60 H60 N2 Rh2 -","2","1","","Kim, Jinwoo; Kim, Dongwook; Chang, Sukbok","Merging Two Functions in a Single Rh Catalyst System: Bimodular Conjugate for Light-Induced Oxidative Coupling","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09982","","","0.71073","MoKα","","0.0271","0.0229","","","0.0494","0.0538","","","","","","1.202","","","","has coordinates","258654","2020-10-30","23:48:37",""
"4135327","36.987","0.007","35.02","0.007","22.654","0.005","90","","92.27","0.03","90","","29320","10","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H70 Cl6 N2 O8 Rh2 -","- C74 H70 Cl6 N2 O8 Rh2 -","- C1184 H1120 Cl96 N32 O128 Rh32 -","16","4","","Kim, Jinwoo; Kim, Dongwook; Chang, Sukbok","Merging Two Functions in a Single Rh Catalyst System: Bimodular Conjugate for Light-Induced Oxidative Coupling","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09982","","","0.8","synchrotron","","0.1443","0.0957","","","0.2769","0.3119","","","","","","1.016","","","","has coordinates,has disorder","258655","2020-10-30","23:49:18",""
"4135328","36.655","0.007","9.368","0.0019","32.952","0.007","90","","108.36","0.03","90","","10739","4","253","2","253","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C44 H43 F18 N Rh Sb3 -","- C44 H43 F18 N Rh Sb3 -","- C352 H344 F144 N8 Rh8 Sb24 -","8","2","","Kim, Jinwoo; Kim, Dongwook; Chang, Sukbok","Merging Two Functions in a Single Rh Catalyst System: Bimodular Conjugate for Light-Induced Oxidative Coupling","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09982","","","0.85","synchrotron","","0.2163","0.1155","","","0.3295","0.3865","","","","","","1.071","","","","has coordinates,has disorder","258656","2020-10-30","23:49:50",""
"4135329","14.509","0.002","18.34","0.003","15.539","0.003","90","","96.485","0.002","90","","4108.4","1.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H63 Ir O3 P2 Si3 -","- C34 H63 Ir O3 P2 Si3 -","- C136 H252 Ir4 O12 P8 Si12 -","4","2","","Esteruelas, Miguel A.; Martínez, Antonio; Oliván, Montserrat; Oñate, Enrique","Kinetic Analysis and Sequencing of Si-H and C-H Bond Activation Reactions: Direct Silylation of Arenes Catalyzed by an Iridium-Polyhydride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07578","","","0.71073","MoKα","","0.1413","0.0577","","","0.0985","0.1242","","","","","","0.997","","","","has coordinates,has disorder","258668","2020-11-01","00:01:09",""
"4135330","11.8183","0.0005","4.94497","0.00016","14.9662","0.0006","90","","110.509","0.005","90","","819.2","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H22 Br N O2 -","- C16 H22 Br N O2 -","- C32 H44 Br2 N2 O4 -","2","1","","Shu, Xiaomin; Huan, Leitao; Huang, Qian; Huo, Haohua","Direct Enantioselective C(sp<sup>3</sup>)-H Acylation for the Synthesis of α-Amino Ketones.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10471","","x-ray","1.54184","CuKα","","0.0458","0.0424","","","0.1063","0.1095","","","","","","1.063","","","","has coordinates","258669","2020-11-01","00:04:13",""
"4135331","11.705","0.0006","5.1203","0.0002","15.0401","0.0007","90","","112.529","0.005","90","","832.61","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1","","- C19 H20 Cl N O2 -","- C19 H20 Cl N O2 -","- C38 H40 Cl2 N2 O4 -","2","1","","Shu, Xiaomin; Huan, Leitao; Huang, Qian; Huo, Haohua","Direct Enantioselective C(sp<sup>3</sup>)-H Acylation for the Synthesis of α-Amino Ketones.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10471","","x-ray","1.54184","CuKα","","0.0408","0.0403","","","0.1053","0.1059","","","","","","1.065","","","","has coordinates","258670","2020-11-01","00:07:24",""
"4135332","39.5169","0.0007","11.9534","0.0002","12.6942","0.0002","90","","90","","90","","5996.25","0.17","170","2","169.97","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C29 H33 N O4 S -","- C29 H33 N O4 S -","- C232 H264 N8 O32 S8 -","8","2","","Wang, Ye; Zhang, Wen-Yun; Xie, Jia-Hao; Yu, Zong-Lun; Tan, Jia-Hao; Zheng, Chao; Hou, Xue-Long; You, Shu-Li","Enantioselective Desymmetrization of Bisphenol Derivatives via Ir-Catalyzed Allylic Dearomatization.","Journal of the American Chemical Society","2020","142","45","19354","19359","10.1021/jacs.0c09638","","","1.34139","GaKα","","0.063","0.0488","","","0.1203","0.129","","","","","","1.043","","","","has coordinates","259525","2020-12-04","02:23:31",""
"4135333","27.8647","0.0009","8.5749","0.0003","12.588","0.0004","90","","94.3636","0.0013","90","","2999.02","0.17","296","2","296.15","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C29 H38 O11 -","- C29 H38 O11 -","- C116 H152 O44 -","4","1","","Wang, Ye; Zhang, Wen-Yun; Xie, Jia-Hao; Yu, Zong-Lun; Tan, Jia-Hao; Zheng, Chao; Hou, Xue-Long; You, Shu-Li","Enantioselective Desymmetrization of Bisphenol Derivatives via Ir-Catalyzed Allylic Dearomatization.","Journal of the American Chemical Society","2020","142","45","19354","19359","10.1021/jacs.0c09638","","","1.54178","CuKα","","0.046","0.0442","","","0.1053","0.1065","","","","","","1.119","","","","has coordinates","259525","2020-12-04","02:23:41",""
"4135334","12.452","0.003","26.389","0.007","36.476","0.009","90","","90","","90","","11986","5","170.15","","170.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H62 Cl9 N3 O12 -","- C54 H62 Cl9 N3 O12 -","- C432 H496 Cl72 N24 O96 -","8","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","0.71073","MoKα","","0.083","0.0675","","","0.1803","0.1952","","","","","","1.027","","","","has coordinates,has disorder","259515","2020-12-04","02:18:54",""
"4135335","11.1358","0.0019","11.707","0.0019","27.45","0.005","80.177","0.005","82.927","0.006","70.428","0.005","3314","1","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H82 Cl8 N4 O17 -","- C55 H82 Cl8 N4 O17 -","- C110 H164 Cl16 N8 O34 -","2","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","0.71073","MoKα","","0.1333","0.0871","","","0.2195","0.2486","","","","","","1.028","","","","has coordinates,has disorder","259515","2020-12-04","02:18:55",""
"4135336","20.2673","0.0006","12.7006","0.0004","20.9446","0.0006","90","","108.196","0.001","90","","5121.7","0.3","170","2","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C53 H71 N3 O16 -","- C53 H71 N3 O16 -","- C212 H284 N12 O64 -","4","0.5","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","0.71073","MoKα","","0.0763","0.0651","","","0.1792","0.1914","","","","","","1.032","","","","has coordinates,has disorder","259515","2020-12-04","02:18:55",""
"4135337","12.0165","0.0005","18.208","0.0008","25.1259","0.0011","90","","90","","90","","5497.5","0.4","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H76 N4 O15 -","- C56 H76 N4 O15 -","- C224 H304 N16 O60 -","4","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","1.54178","CuKα","","0.0591","0.0564","","","0.1599","0.1631","","","","","","1.062","","","","has coordinates,has disorder","259515","2020-12-04","02:18:55",""
"4135338","11.8167","0.0009","19.4344","0.0018","20.4342","0.0017","90","","95.609","0.003","90","","4670.3","0.7","170","2","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H60 Cl N3 O12 -","- C51 H60 Cl N3 O12 -","- C204 H240 Cl4 N12 O48 -","4","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","0.71073","MoKα","","0.0805","0.064","","","0.1668","0.1826","","","","","","1.082","","","","has coordinates","259515","2020-12-04","02:18:55",""
"4135339","21.5851","0.0011","14.7231","0.0008","15.1871","0.0008","90","","94.212","0.002","90","","4813.4","0.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C108 H112 O Si4 -","- C116 H128 O2 Si4 -","- C232 H256 O4 Si8 -","2","0.5","","Bergman, Harrison M.; Kiel, Gavin R.; Witzke, Ryan J.; Nenon, David P.; Schwartzberg, Adam M.; Liu, Yi; Tilley, T. Don","Shape-Selective Synthesis of Pentacene Macrocycles and the Effect of Geometry on Singlet Fission.","Journal of the American Chemical Society","2020","142","47","19850","19855","10.1021/jacs.0c09941","","x-ray","0.7288","synchrotron","","0.105","0.0899","","","0.2502","0.2642","","","","","","1.097","","","","has coordinates,has disorder","259516","2020-12-04","02:19:53",""
"4135340","21.0146","0.0009","17.8252","0.0008","16.958","0.0007","90","","90.02","0.002","90","","6352.3","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C156 H146 O4 Si4 -","- C156 H164 O4 Si4 -","- C312 H328 O8 Si8 -","2","0.5","","Bergman, Harrison M.; Kiel, Gavin R.; Witzke, Ryan J.; Nenon, David P.; Schwartzberg, Adam M.; Liu, Yi; Tilley, T. Don","Shape-Selective Synthesis of Pentacene Macrocycles and the Effect of Geometry on Singlet Fission.","Journal of the American Chemical Society","2020","142","47","19850","19855","10.1021/jacs.0c09941","","","0.7288","synchrotron","","0.084","0.0644","","","0.1551","0.1687","","","","","","1.038","","","","has coordinates,has disorder","259516","2020-12-04","02:19:54",""
"4135341","11.8612","0.0005","14.1474","0.0007","14.9784","0.0008","100.353","0.002","102.176","0.002","107.043","0.002","2269.2","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C106 H70 Cl18 -","- C106 H70 Cl18 -","- C106 H70 Cl18 -","1","0.5","","Bergman, Harrison M.; Kiel, Gavin R.; Witzke, Ryan J.; Nenon, David P.; Schwartzberg, Adam M.; Liu, Yi; Tilley, T. Don","Shape-Selective Synthesis of Pentacene Macrocycles and the Effect of Geometry on Singlet Fission.","Journal of the American Chemical Society","2020","142","47","19850","19855","10.1021/jacs.0c09941","","","0.7288","synchrotron","","0.1224","0.0892","","","0.2729","0.2902","","","","","","1.144","","","","has coordinates,has disorder","259516","2020-12-04","02:19:54",""
"4135342","26.7857","0.0015","12.5558","0.0007","25.1482","0.0014","90","","118.957","0.003","90","","7400.4","0.7","170","2","170.02","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C76 H95 O14 -","- C76 H95 O14 -","- C304 H380 O56 -","4","0.5","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.1509","0.1408","","","0.3477","0.3525","","","","","","0.922","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135343","13.5823","0.0003","22.8453","0.0006","20.4508","0.0005","90","","100.373","0.001","90","","6242","0.3","170","2","170.02","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C67 H86 O12 -","- C67 H86 O12 -","- C268 H344 O48 -","4","1","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.0608","0.0512","","","0.1311","0.1398","","","","","","1.022","","","","has coordinates","259514","2020-12-04","02:18:29",""
"4135344","14.1746","0.0004","16.4665","0.0006","19.6666","0.0006","79.172","0.002","77.599","0.002","72.479","0.002","4237.6","0.2","170","2","169.97","","","","","","","","","4","P -1","-P 1","2","","","","- C71 H78 Br12 O13 -","- C71 H78 Br12 O13 -","- C142 H156 Br24 O26 -","2","1","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.1333","0.1095","","","0.2601","0.2756","","","","","","0.925","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135345","28.6532","0.0017","12.3731","0.0008","44.242","0.003","90","","108.836","0.002","90","","14845.1","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C67 H76 Br10 O12 -","- C67 H76 Br10 O12 -","- C536 H608 Br80 O96 -","8","1","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.54178","CuKα","","0.2183","0.1619","","","0.3888","0.4225","","","","","","1.563","","","","has coordinates","259514","2020-12-04","02:18:29",""
"4135346","12.8203","0.0003","12.9026","0.0003","12.9306","0.0003","61.278","0.001","73.375","0.001","78.559","0.001","1792.62","0.07","170","2","169.99","","","","","","","","","3","P -1","-P 1","2","","","","- C78 H100 O14 -","- C78 H100 O14 -","- C78 H100 O14 -","1","0.5","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.0578","0.0543","","","0.147","0.1518","","","","","","1.037","","","","has coordinates","259514","2020-12-04","02:18:29",""
"4135347","13.8496","0.0002","23.998","0.0003","25.2072","0.0003","90","","90","","90","","8377.93","0.19","170","2","169.99","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C78 H88 Br12 O14 -","- C78 H88 Br12 O14 -","- C312 H352 Br48 O56 -","4","0.5","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.0421","0.0391","","","0.1017","0.1041","","","","","","1.037","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135348","24.4691","0.0009","20.7774","0.0008","12.8545","0.0005","90","","90","","90","","6535.3","0.4","170","2","169.98","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C60 H66 Br10 O11 -","- C60 H66 Br10 O11 -","- C240 H264 Br40 O44 -","4","0.5","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.1304","0.0982","","","0.2904","0.3197","","","","","","1.173","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135349","13.167","0.003","14.706","0.004","30.336","0.007","87.834","0.008","86.789","0.008","85.765","0.009","5845","2","170","2","170.15","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H76 O11 -","- C60 H76 O11 -","- C240 H304 O44 -","4","2","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.204","0.1337","","","0.3072","0.3712","","","","","","0.788","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135350","8.8938","0.0003","5.9958","0.0002","9.519","0.0003","90","","94.883","0.001","90","","505.76","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 Br N -","- C11 H14 Br N -","- C22 H28 Br2 N2 -","2","1","","Yan, Xingchen; Ge, Luo; Castiñeira Reis, Marta; Harutyunyan, Syuzanna R.","Nucleophilic Dearomatization of N-Heteroaromatics Enabled by Lewis Acids and Copper Catalysis.","Journal of the American Chemical Society","2020","142","47","20247","20256","10.1021/jacs.0c09974","","","1.54178","CuKα","","0.0176","0.0174","","","0.042","0.0421","","","","","","1.076","","","","has coordinates","259518","2020-12-04","02:20:24",""
"4135351","11.3762","0.0003","12.0964","0.0003","18.5162","0.0005","98.867","0.001","102.089","0.001","113.854","0.001","2195.93","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H68 O3 Si3 Ti3 -","- C39 H68 O3 Si3 Ti3 -","- C78 H136 O6 Si6 Ti6 -","2","1","","Hu, Shaowei; Shima, Takanori; Hou, Zhaomin","Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.","Journal of the American Chemical Society","2020","142","47","19889","19894","10.1021/jacs.0c10403","","","0.71073","MoKα","","0.0589","0.0472","","","0.1187","0.1254","","","","","","1.029","","","","has coordinates","259519","2020-12-04","02:20:46",""
"4135352","10.0717","0.0017","11.556","0.002","12.004","0.002","61.262","0.006","73.979","0.006","81.524","0.006","1177.3","0.4","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C41 H70 O5 Si3 Ti3 -","- C41 H70 O5 Si3 Ti3 -","- C41 H70 O5 Si3 Ti3 -","1","1","","Hu, Shaowei; Shima, Takanori; Hou, Zhaomin","Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.","Journal of the American Chemical Society","2020","142","47","19889","19894","10.1021/jacs.0c10403","","","0.71073","MoKα","","0.0465","0.0385","","","0.0925","0.0966","","","","","","1.006","","","","has coordinates","259519","2020-12-04","02:20:46",""
"4135353","8.7584","0.0015","14.858","0.002","20.54","0.004","70.651","0.005","86.515","0.006","78.122","0.006","2467.9","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H36.5 N0.5 O2.5 Si1.5 Ti1.5 -","- C23 H36.5 N0.5 O2.5 Si1.5 Ti1.5 -","- C92 H146 N2 O10 Si6 Ti6 -","4","2","","Hu, Shaowei; Shima, Takanori; Hou, Zhaomin","Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.","Journal of the American Chemical Society","2020","142","47","19889","19894","10.1021/jacs.0c10403","","","0.71073","MoKα","","0.14","0.0608","","","0.1069","0.1305","","","","","","1.003","","","","has coordinates","259519","2020-12-04","02:20:46",""
"4135354","20.8973","0.0011","11.6751","0.0006","19.2927","0.0011","90","","90","","90","","4707","0.4","173.15","","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H70 O5 Si3 Ti3 -","- C41 H70 O5 Si3 Ti3 -","- C164 H280 O20 Si12 Ti12 -","4","1","","Hu, Shaowei; Shima, Takanori; Hou, Zhaomin","Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.","Journal of the American Chemical Society","2020","142","47","19889","19894","10.1021/jacs.0c10403","","","0.71073","MoKα","","0.0613","0.0587","","","0.1585","0.1611","","","","","","1.036","","","","has coordinates,has disorder","259519","2020-12-04","02:20:46",""
"4135355","7.19727","0.00016","10.5288","0.0002","24.3626","0.0006","90","","90","","90","","1846.16","0.07","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Cl2 Fe N2 -","- C14 H28 Cl2 Fe N2 -","- C56 H112 Cl8 Fe4 N8 -","4","1","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","0.71073","MoKα","","0.0442","0.0365","","","0.0782","0.0821","","","","","","1.062","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135356","10.40448","0.00016","10.40448","0.00016","9.2611","0.0002","90","","90","","90","","1002.54","0.03","140","0.1","140","0.1","","","","","","","","5","P 42","P 4c","77","","","","- C20 H24 Cl2 Fe N2 -","- C20 H24 Cl2 Fe N2 -","- C40 H48 Cl4 Fe2 N4 -","2","0.5","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","0.71073","MoKα","","0.0291","0.0259","","","0.0616","0.0633","","","","","","1.04","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135357","7.33605","0.00014","11.0844","0.0002","26.8365","0.0005","90","","90","","90","","2182.23","0.07","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 Cl2 Fe N2 -","- C18 H36 Cl2 Fe N2 -","- C72 H144 Cl8 Fe4 N8 -","4","1","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","1.54184","CuKα","","0.0236","0.0231","","","0.0607","0.0612","","","","","","1.036","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135358","14.5785","0.0005","11.9443","0.0004","10.9829","0.0005","90","","90","","90","","1912.45","0.13","140","0.1","140","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C46 H52 Cl2 Rh2 -","- C46 H52 Cl2 Rh2 -","- C92 H104 Cl4 Rh4 -","2","0.5","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","0.71073","MoKα","","0.0343","0.027","","","0.0504","0.0536","","","","","","1.054","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135359","10.7128","0.0015","12.9374","0.0017","32.667","0.004","90","","96.259","0.003","90","","4500.5","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H102 Cl4 N6 O16 Rh4 -","- C90 H102 Cl4 N6 O16 Rh4 -","- C180 H204 Cl8 N12 O32 Rh8 -","2","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","","0.41328","synchrotron","","0.0431","0.0362","","","0.0871","0.0902","","","","","","1.078","","","","has coordinates","259520","2020-12-04","02:21:12",""
"4135360","12.8813","0.0018","12.9498","0.0018","18.331","0.003","90","","102.871","0.002","90","","2981","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 Cl6 N6 O8 Rh2 -","- C58 H60 Cl6 N6 O8 Rh2 -","- C116 H120 Cl12 N12 O16 Rh4 -","2","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","","0.41328","synchrotron","","0.0603","0.0449","","","0.1081","0.1173","","","","","","1.054","","","","has coordinates","259520","2020-12-04","02:21:12",""
"4135361","15.6237","0.0009","17.2551","0.0008","19.6274","0.0013","111.577","0.002","94.521","0.002","96.215","0.002","4851.2","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C184 H204 Cl24 N4 O32 Rh8 -","- C184 H204 Cl24 N4 O32 Rh8 -","- C184 H204 Cl24 N4 O32 Rh8 -","1","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","x-ray","0.71073","MoKα","","0.0465","0.0386","","","0.0819","0.0854","","","","","","1.101","","","","has coordinates","259520","2020-12-04","02:21:12",""
"4135362","10.9316","0.0008","12.9312","0.0009","32.433","0.002","90","","99.31","0.001","90","","4524.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H102 Cl4 N6 O16 Rh4 -","- C90 H102 Cl4 N6 O16 Rh4 -","- C180 H204 Cl8 N12 O32 Rh8 -","2","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","","0.41328","synchrotron","","0.0508","0.042","","","0.1101","0.1156","","","","","","1.045","","","","has coordinates","259520","2020-12-04","02:21:12",""
"4135363","12.961","0.002","12.909","0.002","18.381","0.003","90","","100.334","0.002","90","","3025.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 Cl6 N4.28 O8 Rh2 -","- C58 H60 Cl6 N4.276 O8 Rh2 -","- C116 H120 Cl12 N8.552 O16 Rh4 -","2","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","","0.41328","synchrotron","","0.0615","0.0447","","","0.1149","0.1242","","","","","","1.082","","","","has coordinates,has disorder","259520","2020-12-04","02:21:12",""
"4135364","7.9196","0.0003","8.505","0.0004","27.304","0.0012","90","","90","","90","","1839.09","0.14","170","2","169.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N O2 P -","- C20 H26 N O2 P -","- C80 H104 N4 O8 P4 -","4","1","","Li, Yan-Bo; Tian, Hu; Yin, Liang","Copper(I)-Catalyzed Asymmetric 1,4-Conjugate Hydrophosphination of α,β-Unsaturated Amides.","Journal of the American Chemical Society","2020","142","47","20098","20106","10.1021/jacs.0c09654","","","1.34139","GaKα","","0.0613","0.0479","","","0.1076","0.117","","","","","","1.039","","","","has coordinates","259521","2020-12-04","02:21:26",""
"4135365","16.0085","0.0003","7.8446","0.0002","16.2448","0.0004","90","","93.22","0.001","90","","2036.81","0.08","170","2","169.99","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H28 N O2 P -","- C21 H28 N O2 P -","- C84 H112 N4 O8 P4 -","4","1","","Li, Yan-Bo; Tian, Hu; Yin, Liang","Copper(I)-Catalyzed Asymmetric 1,4-Conjugate Hydrophosphination of α,β-Unsaturated Amides.","Journal of the American Chemical Society","2020","142","47","20098","20106","10.1021/jacs.0c09654","","","1.34139","GaKα","","0.0391","0.0366","","","0.0946","0.097","","","","","","1.056","","","","has coordinates","259521","2020-12-04","02:21:26",""
"4135366","10.6291","0.0003","31.7456","0.0008","11.4376","0.0003","90","","92.961","0.001","90","","3854.2","0.18","193","","193.01","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H41 Cl N2 O4 P2 Pd -","- C40 H41 Cl N2 O4 P2 Pd -","- C160 H164 Cl4 N8 O16 P8 Pd4 -","4","2","","Li, Yan-Bo; Tian, Hu; Yin, Liang","Copper(I)-Catalyzed Asymmetric 1,4-Conjugate Hydrophosphination of α,β-Unsaturated Amides.","Journal of the American Chemical Society","2020","142","47","20098","20106","10.1021/jacs.0c09654","","","0.71073","MoKα","","0.0357","0.032","","","0.0962","0.1021","","","","","","0.808","","","","has coordinates","259521","2020-12-04","02:21:26",""
"4135367","19.3198","0.0009","19.3198","0.0009","20.7955","0.0013","90","","90","","120","","6722.1","0.6","193","2","193","2","","","","","","","","6","P 61","P 61","169","","","","- C32 H22 Mn2 Ni O10 S4 -","- C32 H20 Mn2 Ni O10 S4 -","- C192 H120 Mn12 Ni6 O60 S24 -","6","1","","Zhou, Yan; Hu, Qin; Yu, Fei; Ran, Guang-Ying; Wang, Hai-Ying; Shepherd, Nicholas D.; D'Alessandro, Deanna M; Kurmoo, Mohamedally; Zuo, Jing-Lin","A Metal-Organic Framework Based on a Nickel Bis(dithiolene) Connector: Synthesis, Crystal Structure, and Application as an Electrochemical Glucose Sensor.","Journal of the American Chemical Society","2020","142","48","20313","20317","10.1021/jacs.0c09009","","","1.34139","GaKα","","0.098","0.0673","","","0.1688","0.1874","","","","","","1.018","","","","has coordinates","259522","2020-12-04","02:21:42",""
"4135368","13.408","0.002","18.225","0.002","7.9041","0.0011","90","","94.302","0.006","90","","1926","0.4","150","","150","","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C108 H80 N8 O8 -","4","0.5","","Kasemthaveechok, Sitthichok; Abella, Laura; Jean, Marion; Cordier, Marie; Roisnel, Thierry; Vanthuyne, Nicolas; Guizouarn, Thierry; Cador, Olivier; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Axially and Helically Chiral Cationic Radical Bicarbazoles: SOMO-HOMO Level Inversion and Chirality Impact on the Stability of Mono- and Diradical Cations.","Journal of the American Chemical Society","2020","142","48","20409","20418","10.1021/jacs.0c08948","","x-ray","0.71073","MoKα","","0.0697","0.0572","","","0.1507","0.1631","","","","","","1.063","","","","has coordinates","259524","2020-12-04","02:22:29",""
"4135369","16.902","0.003","9.9528","0.0018","17.758","0.002","90","","99.9","0.006","90","","2942.8","0.8","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 N2 O2 -","- C35 H36 N2 O2 -","- C140 H144 N8 O8 -","4","1","","Kasemthaveechok, Sitthichok; Abella, Laura; Jean, Marion; Cordier, Marie; Roisnel, Thierry; Vanthuyne, Nicolas; Guizouarn, Thierry; Cador, Olivier; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Axially and Helically Chiral Cationic Radical Bicarbazoles: SOMO-HOMO Level Inversion and Chirality Impact on the Stability of Mono- and Diradical Cations.","Journal of the American Chemical Society","2020","142","48","20409","20418","10.1021/jacs.0c08948","","x-ray","0.71073","MoKα","","0.1255","0.0917","","","0.2346","0.2641","","","","","","1.078","","","","has coordinates,has disorder","259524","2020-12-04","02:22:37",""
"4135370","13.139","0.0017","34.437","0.005","13.4698","0.0019","90","","92.046","0.005","90","","6090.8","1.5","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 N2 O2 -","- C36 H40 N2 O2 -","- C288 H320 N16 O16 -","8","2","","Kasemthaveechok, Sitthichok; Abella, Laura; Jean, Marion; Cordier, Marie; Roisnel, Thierry; Vanthuyne, Nicolas; Guizouarn, Thierry; Cador, Olivier; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Axially and Helically Chiral Cationic Radical Bicarbazoles: SOMO-HOMO Level Inversion and Chirality Impact on the Stability of Mono- and Diradical Cations.","Journal of the American Chemical Society","2020","142","48","20409","20418","10.1021/jacs.0c08948","","x-ray","0.71073","MoKα","","0.092","0.0601","","","0.1397","0.1577","","","","","","0.992","","","","has coordinates","259524","2020-12-04","02:22:43",""
"4135371","9.5316","0.001","9.9882","0.0011","12.1305","0.0013","74.757","0.004","77.144","0.004","74.314","0.004","1058.4","0.2","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C56 H48 N4 O4 -","2","1","","Kasemthaveechok, Sitthichok; Abella, Laura; Jean, Marion; Cordier, Marie; Roisnel, Thierry; Vanthuyne, Nicolas; Guizouarn, Thierry; Cador, Olivier; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Axially and Helically Chiral Cationic Radical Bicarbazoles: SOMO-HOMO Level Inversion and Chirality Impact on the Stability of Mono- and Diradical Cations.","Journal of the American Chemical Society","2020","142","48","20409","20418","10.1021/jacs.0c08948","","x-ray","0.71073","MoKα","","0.0619","0.0466","","","0.1179","0.1269","","","","","","1.045","","","","has coordinates,has disorder","259524","2020-12-04","02:22:44",""
"4135372","10.1005","0.0005","11.4816","0.0006","15.6108","0.0008","84.1313","0.0017","74.5085","0.0015","70.8989","0.0015","1648.34","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N3 O2 -","- C19 H23 N3 O2 -","- C76 H92 N12 O8 -","4","2","","Jeon, Jinwon; Lee, Changseok; Seo, Huiyeong; Hong, Sungwoo","NiH-Catalyzed Proximal-Selective Hydroamination of Unactivated Alkenes.","Journal of the American Chemical Society","2020","142","48","20470","20480","10.1021/jacs.0c10333","","","0.71073","MoKα","","0.0581","0.0479","","","0.1065","0.1132","","","","","","1.076","","","","has coordinates,has disorder","259523","2020-12-04","02:21:58",""
"4135373","12.1484","0.0005","12.2854","0.0005","24.5486","0.0009","90","","98.0774","0.0014","90","","3627.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C160 H200 N24 O16 -","8","2","","Jeon, Jinwon; Lee, Changseok; Seo, Huiyeong; Hong, Sungwoo","NiH-Catalyzed Proximal-Selective Hydroamination of Unactivated Alkenes.","Journal of the American Chemical Society","2020","142","48","20470","20480","10.1021/jacs.0c10333","","","0.71073","MoKα","","0.0922","0.0695","","","0.137","0.1463","","","","","","1.138","","","","has coordinates,has disorder","259523","2020-12-04","02:22:07",""
"4135374","13.3692","0.0009","22.2187","0.0016","22.4798","0.0018","113.514","0.003","102.465","0.003","97.137","0.004","5811.4","0.8","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C111 H96 F24 N24 Ni2 P4 -","- C111 H96 F24 N24 Ni2 P4 -","- C222 H192 F48 N48 Ni4 P8 -","2","1","","Hooper, Catherine A. J.; Cardo, Lucia; Craig, James S.; Melidis, Lazaros; Garai, Aditya; Egan, Ross T.; Sadovnikova, Viktoriia; Burkert, Florian; Male, Louise; Hodges, Nikolas J.; Browning, Douglas F.; Rosas, Roselyne; Liu, Fengbo; Rocha, Fillipe V.; Lima, Mauro A.; Liu, Simin; Bardelang, David; Hannon, Michael J.","Rotaxanating Metallo-supramolecular Nano-cylinder Helicates to Switch DNA Junction Binding","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07750","","","0.71073","MoKα","","0.4031","0.1942","","","0.2928","0.39","","","","","","1.043","","","","has coordinates","259210","2020-11-20","23:56:30",""
"4135375","14.6717","0.0004","18.6418","0.0005","22.0009","0.0004","66.665","0.002","83.538","0.002","80.35","0.001","5439.9","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C108.5 H94.5 F24 Fe2 N25 P4 -","- C108.5 H94.5 F24 Fe2 N25 P4 -","- C217 H189 F48 Fe4 N50 P8 -","2","1","","Hooper, Catherine A. J.; Cardo, Lucia; Craig, James S.; Melidis, Lazaros; Garai, Aditya; Egan, Ross T.; Sadovnikova, Viktoriia; Burkert, Florian; Male, Louise; Hodges, Nikolas J.; Browning, Douglas F.; Rosas, Roselyne; Liu, Fengbo; Rocha, Fillipe V.; Lima, Mauro A.; Liu, Simin; Bardelang, David; Hannon, Michael J.","Rotaxanating Metallo-supramolecular Nano-cylinder Helicates to Switch DNA Junction Binding","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07750","","","0.71073","MoKα","","0.1686","0.1041","","","0.1806","0.2129","","","","","","1.064","","","","has coordinates,has disorder","259211","2020-11-20","23:56:58",""
"4135376","3.3823","0.0001","5.453","0.0003","9.2505","0.0004","90","","96.88","0.004","90","","169.385","0.013","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C H F0 Na O4 Zn -","- C H Na O4 Zn -","- C2 H2 Na2 O8 Zn2 -","2","1","","Peng, Guang; Lin, Chensheng; Ye, Ning","NaZnCO3(OH): A High-Performance Carbonate Ultraviolet Nonlinear Optical Crystal Derived from KBe2BO3F2","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09866","","","1.3405","GaKα","","0.0198","0.0198","","","0.0501","0.0501","","","","","","1.12","","","","has coordinates","259252","2020-11-25","23:43:32",""
"4135377","27.8962","0.0005","13.02525","0.00018","22.6848","0.0004","90","","100.909","0.0018","90","","8093.7","0.2","100","0.3","100","0.3","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C90 H114 K2 N4 O12 -","- C90 H114 K2 N4 O12 -","- C360 H456 K8 N16 O48 -","4","0.5","","Gadjieva, Natalia A.; Szirmai, Péter; Sági, Olivér; Alemany, Pere; Bartholomew, Amymarie K.; Stone, Ilana; Conejeros, Sergio; Paley, Daniel W.; Hernández Sánchez, Raúl; Fowler, Brandon; Peurifoy, Samuel R.; Náfrádi, Bálint; Forró, László; Roy, Xavier; Batail, Patrick; Canadell, Enric; Steigerwald, Michael L.; Nuckolls, Colin","Intermolecular Resonance Correlates Electron Pairs Down a Supermolecular Chain: Antiferromagnetism in K-Doped p-Terphenyl","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05606","","x-ray","1.54184","CuKα","","0.048","0.0376","","","0.0904","0.0967","","","","","","1.009","","","","has coordinates,has disorder","259253","2020-11-25","23:44:06",""
"4135378","11.84648","0.00007","6.18222","0.00005","21.5257","0.00012","90","","90.2727","0.0005","90","","1576.47","0.018","294.15","","294.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 B F N -","- C18 H21 B F N -","- C72 H84 B4 F4 N4 -","4","1","","Yang, Ji-Min; Guo, Feng-Kai; Zhao, Yu-Tao; Zhang, Qiao; Huang, Ming-Yao; Li, Mao-Lin; Zhu, Shou-Fei; Zhou, Qi-Lin","Insertion of Alkylidene Carbenes into B-H Bonds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09596","","x-ray","1.54184","CuKα","","0.0434","0.0413","","","0.1148","0.1167","","","","","","1.063","","","","has coordinates","259263","2020-11-26","23:49:58",""
"4135379","25.7295","0.0003","11.2014","0.0001","25.9806","0.0003","90","","109.322","0.001","90","","7066.02","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H102 N2 O6 P4 Ru2 -","- C75 H102 N2 O6 P4 Ru2 -","- C300 H408 N8 O24 P16 Ru8 -","4","1","","Tang, Shan; Rauch, Michael; Montag, Michael; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Catalytic Oxidative Deamination by Water with H<sub>2</sub> Liberation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10826","","x-ray","1.54184","CuKα","","0.0389","0.0321","","","0.0795","0.0827","","","","","","1.034","","","","has coordinates,has disorder","259264","2020-11-26","23:50:28",""
"4135380","21.279","0.002","12.954","0.0012","12.0149","0.0011","90","","90","","90","","3311.9","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H43 Au N2 O3 -","- C38 H43 Au N2 O3 -","- C152 H172 Au4 N8 O12 -","4","1","","Sen, Sajal; Hufnagel, Stephanie; Maier, Esther Y.; Aguilar, Isaiah; Selvakumar, Jayaraman; DeVore, Jennie E.; Lynch, Vincent M.; Arumugam, Kuppuswamy; Cui, Zhengrong; Sessler, Jonathan L.; Arambula, Jonathan F.","Rationally Designed Redox-Active Au(I) N-Heterocyclic Carbene: An Immunogenic Cell Death Inducer.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09753","","","0.71073","MoKα","","0.0491","0.0326","","","0.0643","0.0687","","","","","","1.004","","","","has coordinates","259265","2020-11-26","23:50:55",""
"4135381","11.7196","0.0012","19.7733","0.0008","19.8993","0.0012","90","","93.504","0.007","90","","4602.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H56 Au Cl N4 O3 -","- C49 H56 Au Cl N4 O3 -","- C196 H224 Au4 Cl4 N16 O12 -","4","1","","Sen, Sajal; Hufnagel, Stephanie; Maier, Esther Y.; Aguilar, Isaiah; Selvakumar, Jayaraman; DeVore, Jennie E.; Lynch, Vincent M.; Arumugam, Kuppuswamy; Cui, Zhengrong; Sessler, Jonathan L.; Arambula, Jonathan F.","Rationally Designed Redox-Active Au(I) N-Heterocyclic Carbene: An Immunogenic Cell Death Inducer.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09753","","","1.54184","CuKα","","0.0405","0.0364","","","0.0928","0.0973","","","","","","1.041","","","","has coordinates","259266","2020-11-26","23:51:23",""
"4135382","15.0983","0.0004","19.1026","0.0005","10.0922","0.0002","90","","90","","90","","2910.76","0.12","120","","120.01","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C27 H39 Al N3 O2 P2 Rh -","- C27 H39 Al N3 O2 P2 Rh -","- C108 H156 Al4 N12 O8 P8 Rh4 -","4","0.5","","Lai, Qingheng; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Unexpected B/Al Transelementation within a Rh Pincer Complex.","Journal of the American Chemical Society","2020","142","50","20920","20923","10.1021/jacs.0c09344","","x-ray","0.71073","MoKα","","0.0225","0.0194","","","0.0452","0.0476","","","","","","1.077","","","","has coordinates","260429","2021-01-04","03:14:30",""
"4135383","12.21","0.003","14.684","0.003","14.725","0.003","90","","111.369","0.006","90","","2458.6","0.9","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 B N2 O2 P2 Rh -","- C22 H34 B N2 O2 P2 Rh -","- C88 H136 B4 N8 O8 P8 Rh4 -","4","1","","Lai, Qingheng; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Unexpected B/Al Transelementation within a Rh Pincer Complex.","Journal of the American Chemical Society","2020","142","50","20920","20923","10.1021/jacs.0c09344","","","0.71073","MoKα","","0.0526","0.0472","","","0.1068","0.1086","","","","","","1.318","","","","has coordinates,has disorder","260429","2021-01-04","03:14:40",""
"4135384","15.278","0.0005","9.6009","0.0003","19.5396","0.0006","90","","93.389","0.002","90","","2861.11","0.16","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H76 Al2 N4 O4 P4 Rh2 -","- C51 H76 Al2 N4 O4 P4 Rh2 -","- C102 H152 Al4 N8 O8 P8 Rh4 -","2","0.5","","Lai, Qingheng; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Unexpected B/Al Transelementation within a Rh Pincer Complex.","Journal of the American Chemical Society","2020","142","50","20920","20923","10.1021/jacs.0c09344","","","0.71073","MoKα","","0.0272","0.0213","","","0.0483","0.0509","","","","","","1.069","","","","has coordinates,has disorder","260429","2021-01-04","03:14:43",""
"4135385","9.22979","0.00012","12.58246","0.00017","12.86856","0.00016","90","","91.0663","0.0011","90","","1494.21","0.03","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br N O2 -","- C16 H16 Br N O2 -","- C64 H64 Br4 N4 O8 -","4","1","","Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao","Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.","Journal of the American Chemical Society","2020","142","50","20942","20947","10.1021/jacs.0c10707","","","1.54184","CuKα","","0.0432","0.0415","","","0.1115","0.1139","","","","","","1.055","","","","has coordinates","260430","2021-01-04","03:14:56",""
"4135386","8.70779","0.00014","9.8648","0.0002","18.3289","0.0003","90","","90","","90","","1574.46","0.05","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao","Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.","Journal of the American Chemical Society","2020","142","50","20942","20947","10.1021/jacs.0c10707","","","1.54184","CuKα","","0.0363","0.0351","","","0.0951","0.0966","","","","","","1.055","","","","has coordinates","260430","2021-01-04","03:14:56",""
"4135387","13.6755","0.0007","5.2979","0.0003","31.08","0.0014","90","","92.838","0.005","90","","2249","0.2","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H23 N -","- C33 H23 N -","- C132 H92 N4 -","4","1","","Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao","Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.","Journal of the American Chemical Society","2020","142","50","20942","20947","10.1021/jacs.0c10707","","","1.54184","CuKα","","0.1346","0.0719","","","0.1394","0.1787","","","","","","1.001","","","","has coordinates","260430","2021-01-04","03:14:56",""
"4135388","12.5632","0.0008","10.1388","0.0005","10.1456","0.0005","90","","96.467","0.005","90","","1284.08","0.12","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao","Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.","Journal of the American Chemical Society","2020","142","50","20942","20947","10.1021/jacs.0c10707","","","1.54184","CuKα","","0.0467","0.0428","","","0.1162","0.1203","","","","","","1.058","","","","has coordinates","260430","2021-01-04","03:14:56",""
"4135389","12.0621","0.0002","11.3639","0.0002","15.1141","0.0002","90","","90.006","0.002","90","","2071.73","0.06","103","5","103","5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Si3 -","- C20 H28 Si3 -","- C80 H112 Si12 -","4","1","","Lu, Lingxiang; Siu, Juno C.; Lai, Yihuan; Lin, Song","An Electroreductive Approach to Radical Silylation via the Activation of Strong Si-Cl Bond.","Journal of the American Chemical Society","2020","142","51","21272","21278","10.1021/jacs.0c10899","","x-ray","1.54184","CuKα","","0.052","0.0483","","","0.13","0.1328","","","","","","1.098","","","","has coordinates","260426","2021-01-04","03:12:40",""
"4135390","15.4791","0.0013","15.4791","0.0013","26.403","0.002","90","","90","","90","","6326.2","0.9","100","2","99.99","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C33.75 H36 Cl N2 Ni P2 -","- C33.75 H36 Cl N2 Ni P2 -","- C270 H288 Cl8 N16 Ni8 P16 -","8","1","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.71073","MoKα","","0.0611","0.0523","","","0.1476","0.1547","","","","","","1.131","","","","has coordinates,has disorder","260425","2021-01-04","03:12:23",""
"4135391","21.249","0.003","18.319","0.002","14.6841","0.0018","90","","101.772","0.001","90","","5595.7","1.2","15","2","15","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H68 Cl2 N6 P4 Pt2 -","- C62 H68 Cl2 N6 P4 Pt2 -","- C248 H272 Cl8 N24 P16 Pt8 -","4","1","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.24797","synchrotron","","0.0475","0.0463","","","0.1258","0.1262","","","","","","0.969","","","","has coordinates,has disorder","260425","2021-01-04","03:12:24",""
"4135392","18.9534","0.0009","8.4688","0.0004","21.9113","0.0011","90","","107.14","0.0018","90","","3360.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H37 N3 O P2 -","- C40 H37 N3 O P2 -","- C160 H148 N12 O4 P8 -","4","2","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.71073","MoKα","","0.1159","0.0942","","","0.2307","0.2543","","","","","","1.071","","","","has coordinates,has disorder","260425","2021-01-04","03:12:24",""
"4135393","15.426","0.003","15.426","0.003","26.835","0.006","90","","90","","90","","6386","2","15","2","15","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C131 H141 Cl4 F3 N12 P8 Pd4 -","- C131 H141 Cl4 F3 N12 P8 Pd4 -","- C262 H282 Cl8 F6 N24 P16 Pd8 -","2","0.25","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.24797","synchrotron","","0.0425","0.0371","","","0.097","0.1018","","","","","","1.087","","","","has coordinates,has disorder","260425","2021-01-04","03:12:24",""
"4135394","10.5457","0.0002","10.5457","0.0002","10.5457","0.0002","90","","90","","90","","1172.81","0.04","298","","298","","","","101","","","","synthetic","3","P m -3","-P 2 2 3","200","Fe-THQ","Fe-THQ","","- C18 Fe4 O24 -","- C18 Fe4 O24 -","- C36 Fe8 O48 -","2","0.0833333","","Chen, Gan; Gee, Leland B.; Xu, Wenqian; Zhu, Yanbing; Lezama-Pacheco, Juan S; Huang, Zhehao; Li, Zongqi; Babicz, Jr, Jeffrey T; Choudhury, Snehashis; Chang, Ting-Hsiang; Reed, Evan; Solomon, Edward I.; Bao, Zhenan","Valence-Dependent Electrical Conductivity in a 3D Tetrahydroxyquinone-Based Metal-Organic Framework.","Journal of the American Chemical Society","2020","142","51","21243","21248","10.1021/jacs.0c09379","powder diffraction","x-ray","0.44811","Synchrotronmono-beam","","","","","","","","0.0695","","4.485","","","","","","","has coordinates","260421","2021-01-04","03:10:05",""
"4135395","11.5159","0.0014","26.624","0.003","28.024","0.003","75.516","0.002","86.674","0.002","89.643","0.002","8304.7","1.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C162 H257 B3 Si9 -","- C162 H257 B3 Si9 -","- C324 H514 B6 Si18 -","2","1","","Heitkemper, Tobias; Sarcevic, Julijan; Sindlinger, Christian P.","A Neutral Silicon(II) Half-Sandwich Compound.","Journal of the American Chemical Society","2020","142","51","21304","21309","10.1021/jacs.0c11904","","","0.71073","MoKα","","0.1314","0.0946","","","0.2433","0.27","","","","","","1.11","","","","has coordinates,has disorder","260422","2021-01-04","03:10:38",""
"4135396","46.461","0.002","19.6539","0.0009","20.108","0.0009","90","","91.637","0.002","90","","18353.9","1.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C148 H192 Al2 B2 Cl8 F72 O10 Si6 -","- C148 H192 Al2 B2 Cl8 F72 O10 Si6 -","- C592 H768 Al8 B8 Cl32 F288 O40 Si24 -","4","1","","Heitkemper, Tobias; Sarcevic, Julijan; Sindlinger, Christian P.","A Neutral Silicon(II) Half-Sandwich Compound.","Journal of the American Chemical Society","2020","142","51","21304","21309","10.1021/jacs.0c11904","","","0.71073","MoKα","","0.1111","0.0906","","","0.2419","0.2611","","","","","","1.036","","","","has coordinates,has disorder","260422","2021-01-04","03:10:48",""
"4135397","10.6412","0.0019","13.78","0.003","21.703","0.004","73.982","0.003","80.257","0.003","88.739","0.003","3013.7","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H101 B Li2 O2 Si2 -","- C60 H101 B Li2 O2 Si2 -","- C120 H202 B2 Li4 O4 Si4 -","2","1","","Heitkemper, Tobias; Sarcevic, Julijan; Sindlinger, Christian P.","A Neutral Silicon(II) Half-Sandwich Compound.","Journal of the American Chemical Society","2020","142","51","21304","21309","10.1021/jacs.0c11904","","","0.71073","MoKα","","0.0572","0.0438","","","0.1106","0.1191","","","","","","1.036","","","","has coordinates,has disorder","260422","2021-01-04","03:10:50",""
"4135398","17.3585","0.0003","7.8792","0.0001","21.9818","0.0005","90","","112.747","0.002","90","","2772.63","0.1","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 As F6 N7 Pt -","- C29 H18 As F6 N7 Pt -","- C116 H72 As4 F24 N28 Pt4 -","4","1","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0232","0.0168","","","0.0364","0.0377","","","","","","0.945","","","","has coordinates","260423","2021-01-04","03:11:22",""
"4135399","26.3591","0.0005","15.2165","0.0003","19.67","0.0007","90","","118.351","0.001","90","","6943.2","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H72 As2 Cl2 N14 Pt2 -","- C71 H72 As2 Cl2 N14 Pt2 -","- C284 H288 As8 Cl8 N56 Pt8 -","4","0.5","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0412","0.0285","","","0.0654","0.0689","","","","","","1.024","","","","has coordinates,has disorder","260423","2021-01-04","03:11:30",""
"4135400","17.3133","0.0003","7.8025","0.0001","21.8762","0.0004","90","","112.753","0.001","90","","2725.22","0.08","456","2","456","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 F6 N7 P Pt -","- C29 H18 F6 N7 P Pt -","- C116 H72 F24 N28 P4 Pt4 -","4","1","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0353","0.0246","","","0.0523","0.0541","","","","","","0.943","","","","has coordinates","260423","2021-01-04","03:11:33",""
"4135401","27.3367","0.0014","15.1157","0.0008","19.6084","0.001","90","","116.709","0.001","90","","7237.9","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H36 Cl N7 Pt Sb -","- C35.501 H36 Cl1.002 N7 Pt Sb -","- C284.008 H288 Cl8.016 N56 Pt8 Sb8 -","8","1","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0415","0.0358","","","0.0827","0.0883","","","","","","1.173","","","","has coordinates,has disorder","260423","2021-01-04","03:11:36",""
"4135402","17.3569","0.0005","8.0541","0.0002","21.9642","0.0006","90","","113.066","0.002","90","","2825","0.14","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 F6 N7 Pt Sb -","- C29 H18 F6 N7 Pt Sb -","- C116 H72 F24 N28 Pt4 Sb4 -","4","1","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0309","0.0207","","","0.0422","0.0439","","","","","","0.983","","","","has coordinates","260423","2021-01-04","03:11:45",""
"4135403","11.6432","0.0011","12.2106","0.001","15.1043","0.0016","94.218","0.007","105.721","0.007","114.863","0.005","1831.8","0.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H34 Cl6 N2 O6 -","- C38 H34 Cl6 N2 O6 -","- C76 H68 Cl12 N4 O12 -","2","1","","Saal, Fridolin; Zhang, Fangyuan; Holzapfel, Marco; Stolte, Matthias; Michail, Evripidis; Moos, Michael; Schmiedel, Alexander; Krause, Ana-Maria; Lambert, Christoph; Würthner, Frank; Ravat, Prince","[<i>n</i>]Helicene Diimides (<i>n</i> = 5, 6, and 7): Through-Bond versus Through-Space Conjugation.","Journal of the American Chemical Society","2020","142","51","21298","21303","10.1021/jacs.0c11053","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","260424","2021-01-04","03:11:58",""
"4135404","24.9274","0.0017","10.0744","0.0006","13.9318","0.0008","90","","117.911","0.004","90","","3091.7","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 N2 O6 -","- C40 H34 N2 O6 -","- C160 H136 N8 O24 -","4","0.5","","Saal, Fridolin; Zhang, Fangyuan; Holzapfel, Marco; Stolte, Matthias; Michail, Evripidis; Moos, Michael; Schmiedel, Alexander; Krause, Ana-Maria; Lambert, Christoph; Würthner, Frank; Ravat, Prince","[<i>n</i>]Helicene Diimides (<i>n</i> = 5, 6, and 7): Through-Bond versus Through-Space Conjugation.","Journal of the American Chemical Society","2020","142","51","21298","21303","10.1021/jacs.0c11053","","","1.54178","CuKα","","0.0869","0.0643","","","0.1678","0.1863","","","","","","1.04","","","","has coordinates,has disorder","260424","2021-01-04","03:11:58",""
"4135405","6.2249","0.0002","8.8294","0.0002","9.3691","0.0002","90","","90","","90","","514.95","0.02","403","2","403","2","","","","","","","","6","A m m 2","A 2 -2","38","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","0.25","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0179","0.0168","","","0.0341","0.0346","","","","","","1.002","","","","has coordinates","260427","2021-01-04","03:13:18",""
"4135406","6.1587","0.0001","8.8322","0.0002","9.3515","0.0002","90","","90","","90","","508.674","0.018","363","2","363","2","","","","","","","","6","A m m 2","A 2 -2","38","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","0.25","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0212","0.02","","","0.0389","0.0393","","","","","","1.003","","","","has coordinates","260427","2021-01-04","03:13:18",""
"4135407","8.788","0.0003","5.9866","0.0002","9.2245","0.0003","90","","90.03","0.003","90","","485.3","0.03","93","2","93","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0266","0.0256","","","0.0611","0.0618","","","","","","1","","","","has coordinates","260427","2021-01-04","03:13:18",""
"4135408","8.8349","0.0002","6.0723","0.0001","9.3144","0.0002","90","","90.03","","90","","499.7","0.018","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0371","0.0367","","","0.094","0.0944","","","","","","1.002","","","","has coordinates","260427","2021-01-04","03:13:19",""
"4135409","8.8138","0.0002","6.0127","0.0001","9.259","0.0002","90","","90.03","0.003","90","","490.678","0.017","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0312","0.031","","","0.0749","0.0751","","","","","","1.001","","","","has coordinates","260427","2021-01-04","03:13:19",""
"4135410","6.5123","0.0006","7.987","0.0007","19.602","0.014","90","","91.48","0.017","90","","1019.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 F N O5 Re -","- C7 H11 F N O5 Re -","- C28 H44 F4 N4 O20 Re4 -","4","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0428","0.0397","","","0.1116","0.114","","","","","","1.05","","","","has coordinates","260427","2021-01-04","03:13:19",""
"4135411","9.134","0.0007","14.443","0.001","15.714","0.001","90","","91.365","0.003","90","","2072.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N3 O3 S -","- C22 H25 N3 O3 S -","- C88 H100 N12 O12 S4 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0659","0.0557","","","0.1519","0.1623","","","","","","1.034","","","","has coordinates","260428","2021-01-04","03:13:41",""
"4135412","7.9874","0.0008","16.3053","0.0015","11.7305","0.0011","90","","93.629","0.003","90","","1524.7","0.3","135","2","135","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N3 O2 S -","- C15 H19 N3 O2 S -","- C60 H76 N12 O8 S4 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0385","0.0359","","","0.0949","0.0974","","","","","","1.052","","","","has coordinates","260428","2021-01-04","03:13:42",""
"4135413","9.4287","0.0003","14.026","0.0005","25.9572","0.0009","90","","98.656","0.001","90","","3393.7","0.2","100","2","99.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13.99 H17.25 Cl0.35 F3 N2 O2 S -","- C13.9835 H17.249 Cl0.3505 F3 N2 O2 S -","- C111.868 H137.992 Cl2.804 F24 N16 O16 S8 -","8","2","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0638","0.0553","","","0.1533","0.1622","","","","","","1.045","","","","has coordinates,has disorder","260428","2021-01-04","03:13:42",""
"4135414","11.9671","0.0006","10.6451","0.0006","13.0472","0.0007","90","","95.151","0.002","90","","1655.38","0.15","100","2","100.02","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 F3 N2 -","- C18 H25 F3 N2 -","- C72 H100 F12 N8 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.039","0.0342","","","0.0817","0.0852","","","","","","1.049","","","","has coordinates","260428","2021-01-04","03:13:42",""
"4135415","28.9093","0.0007","6.1109","0.0001","19.8414","0.0004","90","","104.537","0.001","90","","3393","0.12","120","2","120.06","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27.9 H22.9 Cl2.72 F17 N3 O2 S -","- C27.905 H22.905 Cl2.715 F17 N3 O2 S -","- C111.62 H91.62 Cl10.86 F68 N12 O8 S4 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0672","0.049","","","0.1152","0.1277","","","","","","1.034","","","","has coordinates,has disorder","260428","2021-01-04","03:13:42",""
"4135416","15.5602","0.0005","9.1547","0.0003","18.4847","0.0007","90","","110.478","0.002","90","","2466.73","0.15","100","2","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 F3 N3 O4 -","- C24 H28 F3 N3 O4 -","- C96 H112 F12 N12 O16 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0763","0.0525","","","0.1305","0.1466","","","","","","1.029","","","","has coordinates","260428","2021-01-04","03:13:42",""
"4135417","24.7462","0.001","8.7463","0.0004","11.885","0.0005","90","","98.217","0.002","90","","2545.95","0.19","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 F17 N2 -","- C24 H17 F17 N2 -","- C96 H68 F68 N8 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0438","0.0366","","","0.09","0.0959","","","","","","1.044","","","","has coordinates,has disorder","260428","2021-01-04","03:13:42",""
"4135418","9.3765","0.0004","23.4519","0.0009","10.6409","0.0004","90","","90.0379","0.0018","90","","2339.9","0.16","100","2","100.07","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F3 N2 O -","- C12 H13 F3 N2 O -","- C96 H104 F24 N16 O8 -","8","2","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0565","0.048","","","0.1177","0.1272","","","","","","1.069","","","","has coordinates","260428","2021-01-04","03:13:42",""
"4135419","10.4509","0.0004","12.2972","0.0004","13.7176","0.0005","64.875","0.002","77.838","0.002","65.854","0.002","1455.03","0.1","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H25 F12 N3 O2 P2 S2 -","- C25 H25 F12 N3 O2 P2 S2 -","- C50 H50 F24 N6 O4 P4 S4 -","2","1","","Anamimoghadam, Ommid; Jones, Leighton O.; Cooper, James A.; Beldjoudi, Yassine; Nguyen, Minh T.; Liu, Wenqi; Krzyaniak, Matthew D.; Pezzato, Cristian; Stern, Charlotte L.; Patel, Hasmukh A.; Wasielewski, Michael R.; Schatz, George C.; Stoddart, J. Fraser","Discrete Open-Shell Tris(bipyridinium radical cationic) Inclusion Complexes in the Solid State","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07148","","","0.71073","MoKα","","0.0617","0.0429","","","0.0975","0.1064","","","","","","1.031","","","","has coordinates","260066","2020-12-21","23:40:36",""
"4135420","10.9093","0.0008","11.8788","0.0009","14.016","0.0011","112.99","0.002","93.419","0.002","105.009","0.002","1588.4","0.2","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H58 F24 N10 O4 P4 -","- C52 H58 F24 N10 O4 P4 -","- C52 H58 F24 N10 O4 P4 -","1","0.5","","Anamimoghadam, Ommid; Jones, Leighton O.; Cooper, James A.; Beldjoudi, Yassine; Nguyen, Minh T.; Liu, Wenqi; Krzyaniak, Matthew D.; Pezzato, Cristian; Stern, Charlotte L.; Patel, Hasmukh A.; Wasielewski, Michael R.; Schatz, George C.; Stoddart, J. Fraser","Discrete Open-Shell Tris(bipyridinium radical cationic) Inclusion Complexes in the Solid State","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07148","","","0.71073","MoKα","","0.0414","0.0354","","","0.0937","0.0977","","","","","","1.042","","","","has coordinates","260067","2020-12-21","23:40:55",""
"4135421","12.178","0.0007","12.6271","0.0007","12.8582","0.0007","112.345","0.003","98.076","0.003","113.601","0.003","1572.7","0.17","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 F18 N10 O4 P3 -","- C60 H66 F18 N10 O4 P3 -","- C60 H66 F18 N10 O4 P3 -","1","0.5","","Anamimoghadam, Ommid; Jones, Leighton O.; Cooper, James A.; Beldjoudi, Yassine; Nguyen, Minh T.; Liu, Wenqi; Krzyaniak, Matthew D.; Pezzato, Cristian; Stern, Charlotte L.; Patel, Hasmukh A.; Wasielewski, Michael R.; Schatz, George C.; Stoddart, J. Fraser","Discrete Open-Shell Tris(bipyridinium radical cationic) Inclusion Complexes in the Solid State","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07148","","","0.71073","MoKα","","0.0907","0.0721","","","0.1829","0.1942","","","","","","1.058","","","","has coordinates,has disorder","260068","2020-12-21","23:41:13",""
"4135422","12.155","0.002","23.664","0.005","20.711","0.004","90","","90.006","0.003","90","","5957","2","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 F12 N4 O4 P2 -","- C40 H40 F12 N4 O4 P2 -","- C160 H160 F48 N16 O16 P8 -","4","0.5","","Anamimoghadam, Ommid; Jones, Leighton O.; Cooper, James A.; Beldjoudi, Yassine; Nguyen, Minh T.; Liu, Wenqi; Krzyaniak, Matthew D.; Pezzato, Cristian; Stern, Charlotte L.; Patel, Hasmukh A.; Wasielewski, Michael R.; Schatz, George C.; Stoddart, J. Fraser","Discrete Open-Shell Tris(bipyridinium radical cationic) Inclusion Complexes in the Solid State","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07148","","","0.71073","MoKα","","0.1895","0.1412","","","0.3842","0.4331","","","","","","1.524","","","","has coordinates,has disorder","260069","2020-12-21","23:41:37",""
"4135423","10.3979","0.0007","20.626","0.0014","13.6454","0.0009","90","","101.224","0.002","90","","2870.5","0.3","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 F24 N8 O4 P4 -","- C48 H52 F24 N8 O4 P4 -","- C96 H104 F48 N16 O8 P8 -","2","0.5","","Anamimoghadam, Ommid; Jones, Leighton O.; Cooper, James A.; Beldjoudi, Yassine; Nguyen, Minh T.; Liu, Wenqi; Krzyaniak, Matthew D.; Pezzato, Cristian; Stern, Charlotte L.; Patel, Hasmukh A.; Wasielewski, Michael R.; Schatz, George C.; Stoddart, J. Fraser","Discrete Open-Shell Tris(bipyridinium radical cationic) Inclusion Complexes in the Solid State","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07148","","","1.54178","CuKα","","0.033","0.0319","","","0.0842","0.0849","","","","","","1.044","","","","has coordinates","260070","2020-12-21","23:42:00",""
"4135424","10.3883","0.0005","10.9508","0.0005","13.4312","0.0007","84.113","0.002","86.835","0.002","74.908","0.002","1466.81","0.12","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H56 F24 N6 O6 P4 -","- C52 H56 F24 N6 O6 P4 -","- C52 H56 F24 N6 O6 P4 -","1","0.5","","Anamimoghadam, Ommid; Jones, Leighton O.; Cooper, James A.; Beldjoudi, Yassine; Nguyen, Minh T.; Liu, Wenqi; Krzyaniak, Matthew D.; Pezzato, Cristian; Stern, Charlotte L.; Patel, Hasmukh A.; Wasielewski, Michael R.; Schatz, George C.; Stoddart, J. Fraser","Discrete Open-Shell Tris(bipyridinium radical cationic) Inclusion Complexes in the Solid State","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07148","","","0.71073","MoKα","","0.0632","0.0474","","","0.112","0.1202","","","","","","1.02","","","","has coordinates","260071","2020-12-21","23:42:18",""
"4135425","9.6576","0.0009","16.5515","0.0015","10.2287","0.001","90","","109.901","0.003","90","","1537.4","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H24 F3 N O3 S -","- C38 H24 F3 N O3 S -","- C76 H48 F6 N2 O6 S2 -","2","1","","Wang, Qiang; Zhang, Wen-Wen; Zheng, Chao; Gu, Qing; You, Shu-Li","Enantioselective Synthesis of Azoniahelicenes by Rh-Catalyzed C‒H Annulation with Alkynes","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11735","","","0.71073","MoKα","","0.0875","0.0621","","","0.1519","0.1736","","","","","","1.054","","","","has coordinates,has disorder","260152","2020-12-25","23:33:42",""
"4135426","7.6626","0.0003","15.2264","0.0005","21.4966","0.0007","90","","90","","90","","2508.09","0.15","173","2","172.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H23 N O -","- C36 H23 N O -","- C144 H92 N4 O4 -","4","1","","Wang, Qiang; Zhang, Wen-Wen; Zheng, Chao; Gu, Qing; You, Shu-Li","Enantioselective Synthesis of Azoniahelicenes by Rh-Catalyzed C‒H Annulation with Alkynes","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11735","","","1.34139","GaKα","","0.0432","0.0394","","","0.0947","0.0981","","","","","","1.13","","","","has coordinates","260153","2020-12-25","23:34:08",""
"4135427","7.304","0.007","14.694","0.016","25.32","0.03","90","","90","","90","","2717","5","296","2","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H26 N2 O2 -","- C37 H26 N2 O2 -","- C148 H104 N8 O8 -","4","1","","Shi, Zhao-Tao; Hu, Yi-Xiong; Hu, Zhubin; Zhang, Qi; Chen, Shao-Yu; Chen, Meng; Yu, Jing-Jing; Yin, Guang-Qiang; Sun, Haitao; Xu, Lin; Li, Xiaopeng; Feringa, Ben L.; Yang, Hai-Bo; Tian, He; Qu, Da-Hui","Visible-Light-Driven Rotation of Molecular Motors in Discrete Supramolecular Metallacycles","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11752","","","1.34139","GaKα","","0.2512","0.1094","","","0.2146","0.318","","","","","","0.747","","","","has coordinates","260206","2020-12-30","00:01:51",""
"4135428","7.2586","0.0002","14.8057","0.0004","25.2215","0.0007","90","","90","","90","","2710.52","0.13","170","2","169.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H26 N2 O2 -","- C37 H26 N2 O2 -","- C148 H104 N8 O8 -","4","1","","Shi, Zhao-Tao; Hu, Yi-Xiong; Hu, Zhubin; Zhang, Qi; Chen, Shao-Yu; Chen, Meng; Yu, Jing-Jing; Yin, Guang-Qiang; Sun, Haitao; Xu, Lin; Li, Xiaopeng; Feringa, Ben L.; Yang, Hai-Bo; Tian, He; Qu, Da-Hui","Visible-Light-Driven Rotation of Molecular Motors in Discrete Supramolecular Metallacycles","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11752","","","1.34139","GaKα","","0.0578","0.0517","","","0.1418","0.1472","","","","","","1.091","","","","has coordinates","260207","2020-12-30","00:02:09",""
"4135429","10.9265","0.0005","12.9671","0.0006","21.9636","0.001","83.843","0.001","88.723","0.001","69.597","0.001","2899.5","0.2","293","","293.31","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H26 N2 O2 -","- C37 H26 N2 O2 -","- C148 H104 N8 O8 -","4","2","","Shi, Zhao-Tao; Hu, Yi-Xiong; Hu, Zhubin; Zhang, Qi; Chen, Shao-Yu; Chen, Meng; Yu, Jing-Jing; Yin, Guang-Qiang; Sun, Haitao; Xu, Lin; Li, Xiaopeng; Feringa, Ben L.; Yang, Hai-Bo; Tian, He; Qu, Da-Hui","Visible-Light-Driven Rotation of Molecular Motors in Discrete Supramolecular Metallacycles","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11752","","","0.71073","MoKα","","0.1222","0.0617","","","0.1612","0.2059","","","","","","1.068","","","","has coordinates","260208","2020-12-30","00:02:45",""
"4135430","13.8359","0.0005","14.2602","0.0004","24.8906","0.001","90.302","0.003","103.428","0.004","97.512","0.003","4732.5","0.3","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C73 H109 F9 N3 O6 P5.5 Pt2 -","- C73 H109 F9 N3 O6 P5.5 Pt2 -","- C146 H218 F18 N6 O12 P11 Pt4 -","2","1","","Jiang, Wei-Ling; Peng, Zhiyong; Huang, Bin; Zhao, Xiao-Li; Sun, Di; Shi, Xueliang; Yang, Hai-Bo","TEMPO Radical-Functionalized Supramolecular Coordination Complexes with Controllable Spin-Spin Interactions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11738","","x-ray","1.54184","CuKα","","0.1431","0.1086","","","0.253","0.274","","","","","","1.058","","","","has coordinates","260209","2020-12-30","00:03:13",""
"4135431","9.4316","0.0002","21.0748","0.0003","21.3237","0.0003","84.687","0.001","81.217","0.001","88.568","0.001","4170.54","0.12","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C134 H192 F24 N6 O8 P12 Pt4 -","- C134 H192 F24 N6 O8 P12 Pt4 -","- C134 H192 F24 N6 O8 P12 Pt4 -","1","0.5","","Jiang, Wei-Ling; Peng, Zhiyong; Huang, Bin; Zhao, Xiao-Li; Sun, Di; Shi, Xueliang; Yang, Hai-Bo","TEMPO Radical-Functionalized Supramolecular Coordination Complexes with Controllable Spin-Spin Interactions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11738","","x-ray","1.54184","CuKα","","0.11","0.0954","","","0.2544","0.2719","","","","","","1.056","","","","has coordinates,has disorder","260210","2020-12-30","00:03:34",""
"4135432","19.4785","0.0015","19.5995","0.0007","20.0531","0.0019","92.012","0.005","115.044","0.008","91.519","0.005","6924.4","1","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C124 H120 B3 F12 N12 O16 Pd2 -","- C124 H120 B3 F12 N12 O16 Pd2 -","- C248 H240 B6 F24 N24 O32 Pd4 -","2","1","","Jiang, Wei-Ling; Peng, Zhiyong; Huang, Bin; Zhao, Xiao-Li; Sun, Di; Shi, Xueliang; Yang, Hai-Bo","TEMPO Radical-Functionalized Supramolecular Coordination Complexes with Controllable Spin-Spin Interactions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11738","","x-ray","1.54184","CuKα","","0.2495","0.1898","","","0.4383","0.4764","","","","","","1.024","","","","has coordinates","260211","2020-12-30","00:04:01",""
"4135433","30.224","0.0002","19.7501","0.0001","27.1586","0.0002","90","","92.612","0.001","90","","16194.9","0.18","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C128 H199 F24 N6 O10 P12 Pt4 -","- C128 H199 F24 N6 O10 P12 Pt4 -","- C512 H796 F96 N24 O40 P48 Pt16 -","4","1","","Jiang, Wei-Ling; Peng, Zhiyong; Huang, Bin; Zhao, Xiao-Li; Sun, Di; Shi, Xueliang; Yang, Hai-Bo","TEMPO Radical-Functionalized Supramolecular Coordination Complexes with Controllable Spin-Spin Interactions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11738","","x-ray","1.54184","CuKα","","0.0804","0.0736","","","0.1754","0.1804","","","","","","1.041","","","","has coordinates,has disorder","260212","2020-12-30","00:04:37",""
"4135434","12.0853","0.0005","18.1737","0.0009","19.882","0.0006","107.001","0.003","90.638","0.003","94.11","0.004","4162.8","0.3","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C134 H194 B4 F16 N6 O8 P8 Pt4 -","- C134 H194 B4 F16 N6 O8 P8 Pt4 -","- C134 H194 B4 F16 N6 O8 P8 Pt4 -","1","0.5","","Jiang, Wei-Ling; Peng, Zhiyong; Huang, Bin; Zhao, Xiao-Li; Sun, Di; Shi, Xueliang; Yang, Hai-Bo","TEMPO Radical-Functionalized Supramolecular Coordination Complexes with Controllable Spin-Spin Interactions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11738","","x-ray","1.54184","CuKα","","0.1296","0.0998","","","0.2524","0.2742","","","","","","0.972","","","","has coordinates","260213","2020-12-30","00:04:58",""
"4135435","13.5498","0.0002","45.425","0.0005","13.8449","0.0002","90","","108.155","0.001","90","","8097.3","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H111 F12 N3 O7 P6 Pt2 -","- C70 H111 F12 N3 O7 P6 Pt2 -","- C280 H444 F48 N12 O28 P24 Pt8 -","4","1","","Jiang, Wei-Ling; Peng, Zhiyong; Huang, Bin; Zhao, Xiao-Li; Sun, Di; Shi, Xueliang; Yang, Hai-Bo","TEMPO Radical-Functionalized Supramolecular Coordination Complexes with Controllable Spin-Spin Interactions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11738","","x-ray","1.54184","CuKα","","0.1154","0.1125","","","0.2632","0.2647","","","","","","1.191","","","","has coordinates","260214","2020-12-30","00:05:23",""
"4135436","24.2191","0.0004","23.9973","0.0005","27.2389","0.0005","90","","90","","90","","15831.1","0.5","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H100 Ge2 N4 Te2 -","- C90 H100 Ge2 N4 Te2 -","- C720 H800 Ge16 N32 Te16 -","8","1","","Sharma, Mahendra K.; Ebeler, Falk; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Isolation of a Ge(I) Diradicaloid and Dihydrogen Splitting.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11828","","x-ray","0.71073","MoKα","","0.0735","0.0409","","","0.0721","0.0815","","","","","","1.046","","","","has coordinates","260253","2020-12-30","23:57:02",""
"4135437","11.0725","0.0003","16.4856","0.0006","22.3612","0.0007","101.491","0.003","101.127","0.002","100.578","0.002","3818.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C87 H97 Ge2 N4 S2 -","- C87 H97 Ge2 N4 S2 -","- C174 H194 Ge4 N8 S4 -","2","1","","Sharma, Mahendra K.; Ebeler, Falk; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Isolation of a Ge(I) Diradicaloid and Dihydrogen Splitting.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11828","","x-ray","0.71073","MoKα","","0.0698","0.046","","","0.0914","0.1006","","","","","","1.044","","","","has coordinates","260254","2020-12-30","23:57:28",""
"4135438","12.8343","0.0004","14.2908","0.0005","17.1398","0.0006","82.394","0.003","84.112","0.003","87.309","0.003","3097.78","0.18","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C70 H86 Ge2 N4 O -","- C70 H86 Ge2 N4 O -","- C140 H172 Ge4 N8 O2 -","2","1","","Sharma, Mahendra K.; Ebeler, Falk; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Isolation of a Ge(I) Diradicaloid and Dihydrogen Splitting.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11828","","x-ray","1.54184","CuKα","","0.0576","0.0459","","","0.1143","0.1214","","","","","","1.032","","","","has coordinates","260255","2020-12-30","23:57:53",""
"4135439","13.7437","0.0004","20.2913","0.0004","24.8641","0.0004","90","","98.358","0.002","90","","6860.4","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H94 Cl2 Ge2 N4 O2 -","- C74 H94 Cl2 Ge2 N4 O2 -","- C296 H376 Cl8 Ge8 N16 O8 -","4","1","","Sharma, Mahendra K.; Ebeler, Falk; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Isolation of a Ge(I) Diradicaloid and Dihydrogen Splitting.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11828","","x-ray","0.71073","MoKα","","0.0838","0.0515","","","0.1263","0.1325","","","","","","1.029","","","","has coordinates,has disorder","260256","2020-12-30","23:58:25",""
"4135440","33.739","0.0006","39.7538","0.001","43.9214","0.0013","90","","96.384","0.002","90","","58544","3","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","NP5H","","","- C351 H162 N20 O40 -","- C351 H162 N20 O40 -","- C1404 H648 N80 O160 -","4","1","","Xiao, Xiao; Pedersen, Stephan K.; Aranda, Daniel; Yang, Jingjing; Wiscons, Ren A.; Pittelkow, Michael; Steigerwald, Michael L.; Santoro, Fabrizio; Schuster, Nathaniel J.; Nuckolls, Colin","Chirality Amplified: Long, Discrete Helicene Nanoribbons","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11260","","x-ray","1.54184","CuKα","","0.2716","0.2168","","","0.4906","0.5446","","","","","","1.599","","","","has coordinates","260257","2020-12-30","23:59:03",""
"4135441","9.194","0.0004","12.409","0.0005","13.3632","0.0006","67.1523","0.0014","70.2511","0.0015","78.9093","0.0015","1319.04","0.1","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H40 Cl14 F6 N2 O2 Ru2 -","- C40 H40 Cl14 F6 N2 O2 Ru2 -","- C40 H40 Cl14 F6 N2 O2 Ru2 -","1","0.5","","Crawley, Matthew R.; Zhang, Daoyang; Oldacre, Amanda N.; Beavers, Christine M.; Friedman, Alan E.; Cook, Timothy R.","Tuning the Reactivity of Cofacial Porphyrin Prisms for Oxygen Reduction Using Modular Building Blocks","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11895","","x-ray","0.71073","MoKα","","0.0484","0.0369","","","0.0777","0.0829","","","","","","1.07","","","","has coordinates,has disorder","260258","2020-12-30","23:59:25",""
"4135442","41.929","0.002","28.768","0.0014","25.7008","0.0014","90","","127.726","0.001","90","","24520","2","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C228 H192 F36 N24 O22 Ru8 S4 Zn2 -","- C228 H192 F36 N24 O22 Ru8 S4 Zn2 -","- C912 H768 F144 N96 O88 Ru32 S16 Zn8 -","4","0.5","","Crawley, Matthew R.; Zhang, Daoyang; Oldacre, Amanda N.; Beavers, Christine M.; Friedman, Alan E.; Cook, Timothy R.","Tuning the Reactivity of Cofacial Porphyrin Prisms for Oxygen Reduction Using Modular Building Blocks","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11895","","","0.71073","MoKα","","0.2043","0.15","","","0.4041","0.4517","","","","","","1.555","","","","has coordinates,has disorder","260259","2020-12-31","00:00:00",""
"4135443","16.3718","0.0013","16.3947","0.0013","16.8901","0.0014","80.413","0.002","63.417","0.002","61.422","0.002","3553.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H78 N4 O11 P8 -","- C78 H78 N4 O11 P8 -","- C156 H156 N8 O22 P16 -","2","1","","Shepard, Scott M.; Kim, Hyehwang; Bang, Qing Xin; Alhokbany, Norah; Cummins, Christopher C.","Synthesis of α,δ-Disubstituted Tetraphosphates and Terminally-Functionalized Nucleoside Pentaphosphates","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11884","","","0.71073","MoKα","","0.0382","0.0319","","","0.082","0.0859","","","","","","1.032","","","","has coordinates","260260","2020-12-31","00:00:28",""
"4135444","28.799","0.006","7.2045","0.0013","28.78","0.005","90","","119.657","0.005","90","","5189.1","1.7","100.15","","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 N6 O5 -","- C31 H26 N6 O5 -","- C248 H208 N48 O40 -","8","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.2068","0.0929","","","0.1824","0.2388","","","","","","0.985","","","","has coordinates","260261","2020-12-31","00:00:52",""
"4135445","15.002","0.0005","7.5587","0.0002","25.1734","0.0008","90","","101.094","0.002","90","","2801.21","0.15","100.15","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N4 O5 -","- C36 H26 N4 O5 -","- C144 H104 N16 O20 -","4","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.0888","0.0587","","","0.1401","0.1564","","","","","","1.052","","","","has coordinates,has disorder","260262","2020-12-31","00:01:16",""
"4135446","7.1148","0.0004","8.2264","0.0006","9.7166","0.0006","73.803","0.004","88.59","0.004","80.599","0.004","538.67","0.06","100.15","","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N6 -","- C26 H22 N6 -","- C26 H22 N6 -","1","0.5","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.0702","0.0493","","","0.1162","0.1278","","","","","","1.048","","","","has coordinates","260263","2020-12-31","00:01:33",""
"4135447","31.2029","0.0011","6.8944","0.0003","19.5728","0.0008","90","","99.506","0.002","90","","4152.8","0.3","100.15","","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 N5 O4 -","- C23 H23 N5 O4 -","- C184 H184 N40 O32 -","8","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.0866","0.0564","","","0.1362","0.1532","","","","","","1.042","","","","has coordinates","260264","2020-12-31","00:01:57",""
"4135448","8.4913","0.001","12.9191","0.0013","17.326","0.002","79.92","0.007","77.96","0.008","73.429","0.007","1768.1","0.4","298.15","","298.15","","","","","","","","","3","P -1","-P 1","2","","","","- C44 H25 N11 -","- C44 H25 N11 -","- C88 H50 N22 -","2","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.1853","0.0617","","","0.1396","0.1964","","","","","","0.915","","","","has coordinates","260265","2020-12-31","00:02:20",""
"4135449","8.3762","0.0004","12.8002","0.0006","17.106","0.0008","80.665","0.003","78.924","0.002","73.94","0.003","1718.04","0.14","100.15","","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C44 H25 N11 -","- C44 H25 N11 -","- C88 H50 N22 -","2","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.0665","0.0491","","","0.1321","0.1449","","","","","","1.019","","","","has coordinates","260266","2020-12-31","00:02:37",""
"4135450","7.1207","0.0019","11.372","0.003","12.809","0.004","88.841","0.019","78.9","0.02","72.015","0.018","967.2","0.5","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C22.27 H22.36 N2.37 O2.63 -","- C22.268 H22.366 N2.366 O2.634 -","- C44.536 H44.732 N4.732 O5.268 -","2","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.4451","0.1299","","","0.3044","0.4723","","","","","","0.918","","","","has coordinates,has disorder","260267","2020-12-31","00:03:05",""
"4135451","28.876","0.003","7.3487","0.0006","28.877","0.003","90","","119.746","0.005","90","","5320.3","0.9","298.15","","298.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 N6 O5 -","- C31 H26 N6 O5 -","- C248 H208 N48 O40 -","8","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.3198","0.0989","","","0.1855","0.2727","","","","","","0.917","","","","has coordinates","260268","2020-12-31","00:03:33",""
"4135452","15.03","0.003","7.6625","0.0009","25.365","0.004","90","","100.908","0.013","90","","2868.4","0.8","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N4 O5 -","- C36 H26 N4 O5 -","- C144 H104 N16 O20 -","4","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.5832","0.1698","","","0.2369","0.3806","","","","","","0.947","","","","has coordinates,has disorder","260269","2020-12-31","00:03:57",""
"4135453","7.1434","0.0006","8.2482","0.0007","10.0068","0.0009","107.04","0.006","91.24","0.006","97.381","0.006","557.95","0.09","298.15","","298.15","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N6 -","- C26 H22 N6 -","- C26 H22 N6 -","1","0.5","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.1325","0.0526","","","0.1228","0.1614","","","","","","0.956","","","","has coordinates","260270","2020-12-31","00:04:13",""
"4135454","10.9617","0.0005","15.6825","0.0008","13.4532","0.0007","90","","99.498","0.004","90","","2281","0.2","100.15","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N3 O5 -","- C28 H25 N3 O5 -","- C112 H100 N12 O20 -","4","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.1942","0.0829","","","0.1684","0.22","","","","","","0.978","","","","has coordinates","260271","2020-12-31","00:04:33",""
"4135455","31.3701","0.0017","7.0028","0.0004","19.8595","0.0011","90","","99.353","0.003","90","","4304.7","0.4","298.15","","298.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 N5 O4 -","- C23 H23 N5 O4 -","- C184 H184 N40 O32 -","8","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.1011","0.0534","","","0.1404","0.169","","","","","","1.042","","","","has coordinates","260272","2020-12-31","00:04:56",""
"4135456","7.4768","0.0002","8.769","0.0002","14.5437","0.0003","90","","97.775","0.002","90","","944.78","0.04","133.15","","133.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 I N2 O -","- C22 H21 I N2 O -","- C44 H42 I2 N4 O2 -","2","1","","Bai, Zibo; Zhang, Heng; Wang, Hao; Yu, Hanrui; Chen, Gong; He, Gang","Enantioselective Alkylamination of Unactivated Alkenes under Copper Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c12333","","x-ray","0.71073","MoKα","","0.026","0.0254","","","0.0642","0.0652","","","","","","1.056","","","","has coordinates","260303","2021-01-01","00:07:02",""
"4135457","8.377","0.0006","11.524","0.0008","22.2398","0.0012","90","","90","","90","","2147","0.2","113","2","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 I N2 O -","- C26 H21 I N2 O -","- C104 H84 I4 N8 O4 -","4","1","","Bai, Zibo; Zhang, Heng; Wang, Hao; Yu, Hanrui; Chen, Gong; He, Gang","Enantioselective Alkylamination of Unactivated Alkenes under Copper Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c12333","","x-ray","0.71073","MoKα","","0.0452","0.0399","","","0.0927","0.096","","","","","","1.089","","","","has coordinates","260304","2021-01-01","00:07:31",""
"4135458","6.4155","0.0013","6.4155","0.0013","5.488","0.003","90","","90","","90","","225.88","0.14","295","","295","","358","","","","","","","2","I 4/m c m","-I 4 2c","140","","","MoBi2","- Bi2 Mo -","- Bi2 Mo -","- Bi8 Mo4 -","4","0.125","","Altman, Alison B.; Tamerius, Alexandra D.; Koocher, Nathan Z.; Meng, Yue; Pickard, Chris J.; Walsh, James P. S.; Rondinelli, James M.; Jacobsen, Steven D.; Freedman, Danna E.","Computationally Directed Discovery of MoBi2","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09419","powder diffraction","","0.406626","","","2.68","","","","","","","","3.92","","","","","","","has coordinates","260305","2021-01-01","00:08:44",""
"4135459","5.8795","0.0003","6.8242","0.0004","17.4352","0.0009","81.502","0.006","88.355","0.006","63.886","0.005","620.72","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N2 O14 Rb2 -","- C20 H24 N2 O14 Rb2 -","- C20 H24 N2 O14 Rb2 -","1","0.5","","Abe, Haruka; Kawasaki, Ayumi; Takeda, Takashi; Hoshino, Norihisa; Matsuda, Wakana; Seki, Shu; Akutagawa, Tomoyuki","Crystal Lattice Design of H2O-Tolerant n-Type Semiconducting Dianionic Naphthalenediimide Derivatives","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11545","","","1.54187","CuKα","","0.0473","0.0438","","","0.1121","0.1144","","","","","","1.072","","","","has coordinates","260306","2021-01-01","00:09:10",""
"4135460","7.53515","0.00014","9.37159","0.00017","17.3157","0.0003","100.624","0.0012","98.803","0.0011","93.048","0.0012","1183.48","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N2 Na2 O14 -","- C20 H24 N2 Na2 O14 -","- C40 H48 N4 Na4 O28 -","2","1","","Abe, Haruka; Kawasaki, Ayumi; Takeda, Takashi; Hoshino, Norihisa; Matsuda, Wakana; Seki, Shu; Akutagawa, Tomoyuki","Crystal Lattice Design of H2O-Tolerant n-Type Semiconducting Dianionic Naphthalenediimide Derivatives","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11545","","","1.54187","CuKα","","0.0668","0.0496","","","0.1242","0.136","","","","","","1.112","","","","has coordinates","260307","2021-01-01","00:09:30",""
"4135461","7.5163","0.0004","12.556","0.0007","16.8507","0.0009","83.769","0.006","81.148","0.006","80.127","0.006","1542.54","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N2 O9.33 Rb2 -","- C20 H12 N2 O9.33333 Rb2 -","- C60 H36 N6 O28 Rb6 -","3","1.5","","Abe, Haruka; Kawasaki, Ayumi; Takeda, Takashi; Hoshino, Norihisa; Matsuda, Wakana; Seki, Shu; Akutagawa, Tomoyuki","Crystal Lattice Design of H2O-Tolerant n-Type Semiconducting Dianionic Naphthalenediimide Derivatives","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11545","","","1.54187","CuKα","","0.0718","0.06","","","0.1644","0.1726","","","","","","1.092","","","","has coordinates","260308","2021-01-01","00:09:58",""
"4135462","5.1996","0.0011","6.5535","0.0014","16.494","0.004","92.691","0.007","95.914","0.007","98.42","0.007","551.9","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cs2 N2 O10 -","- C20 H12 Cs2 N2 O10 -","- C20 H12 Cs2 N2 O10 -","1","0.5","","Abe, Haruka; Kawasaki, Ayumi; Takeda, Takashi; Hoshino, Norihisa; Matsuda, Wakana; Seki, Shu; Akutagawa, Tomoyuki","Crystal Lattice Design of H2O-Tolerant n-Type Semiconducting Dianionic Naphthalenediimide Derivatives","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11545","","","1.54187","CuKα","","0.121","0.092","","","0.219","0.2437","","","","","","1.103","","","","has coordinates","260309","2021-01-01","00:10:22",""
"4135463","16.2707","","8.4478","","8.1981","","90","","91.212","","90","","1126.59","","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 K2 N2 O12 -","- C20 H20 K2 N2 O12 -","- C40 H40 K4 N4 O24 -","2","0.5","","Abe, Haruka; Kawasaki, Ayumi; Takeda, Takashi; Hoshino, Norihisa; Matsuda, Wakana; Seki, Shu; Akutagawa, Tomoyuki","Crystal Lattice Design of H2O-Tolerant n-Type Semiconducting Dianionic Naphthalenediimide Derivatives","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11545","","","1.54187","CuKα","","0.1719","0.0944","","","0.2266","0.3068","","","","","","0.908","","","","has coordinates","260310","2021-01-01","00:10:44",""
"4135464","35.295","0.003","35.295","0.003","26.356","0.003","90","","90","","90","","32833","5","141.68","","141.68","","","","","","","","","7","P 4/n :2","-P 4a","85","","202209d","","- C82.7 H72 F4 N2.7 O9.3 Rh2.7 S1.3 -","- C496 H432 F24 N16 O56 Rh16 S8 -","- C992 H864 F48 N32 O112 Rh32 S16 -","2","0.25","","Zhang, Hai-Ning; Lin, Yue-Jian; Jin, Guo-Xin","Selective Construction of Very Large Stacking-Interaction-Induced Molecular 818 Metalla-knots and Borromean Ring Using Curved Dipyridyl Ligands","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11925","","","1.34139","synchrotron","","0.1339","0.1051","","","0.3156","0.3676","","","","","","1.2154","","","","has coordinates","260311","2021-01-01","00:12:12",""
"4135465","36.467","0.004","29.225","0.004","42.676","0.005","90","","102.209","0.005","90","","44453","9","140","2","140","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C128.67 H160 F12 N4 O37.33 Rh4 S4 -","- C351 H316 F27 N12 O53 Rh12 S9 -","- C1404 H1264 F108 N48 O212 Rh48 S36 -","4","0.5","","Zhang, Hai-Ning; Lin, Yue-Jian; Jin, Guo-Xin","Selective Construction of Very Large Stacking-Interaction-Induced Molecular 818 Metalla-knots and Borromean Ring Using Curved Dipyridyl Ligands","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11925","","","1.54178","CuKα","","0.1497","0.1015","","","0.299","0.3446","","","","","","1.107","","","","has coordinates,has disorder","260312","2021-01-01","00:13:03",""
"4135466","15.8656","0.0007","18.5301","0.0008","27.9838","0.0012","92.145","0.002","104.593","0.002","110.192","0.002","7401.9","0.6","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C150 H167 F12 N5 O26 Rh4 S4 -","- C273 H266 F21 N10 O41 Rh8 S7 -","- C273 H266 F21 N10 O41 Rh8 S7 -","1","0.5","","Zhang, Hai-Ning; Lin, Yue-Jian; Jin, Guo-Xin","Selective Construction of Very Large Stacking-Interaction-Induced Molecular 818 Metalla-knots and Borromean Ring Using Curved Dipyridyl Ligands","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11925","","","1.34138","GaKα","","0.0655","0.0573","","","0.1595","0.1664","","","","","","1.025","","","","has coordinates,has disorder","260313","2021-01-01","00:13:36",""
"4135467","7.953","0.0001","18.4696","0.0002","17.102","0.0003","90","","93.875","0.001","90","","2506.35","0.06","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N4 O11 S -","- C22 H28 N4 O11 S -","- C88 H112 N16 O44 S4 -","4","1","","Shen, Zican; Walker, Morgan M.; Chen, Shuming; Parada, Giovanny A.; Chu, Duc M.; Dongbang, Sun; Mayer, James M.; Houk, K. N.; Ellman, Jonathan A.","General Light-Mediated, Highly Diastereoselective Piperidine Epimerization: From Most Accessible to Most Stable Stereoisomer","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11911","","","1.54184","CuKα","","0.0498","0.0412","","","0.1062","0.112","","","","","","1.031","","","","has coordinates","260314","2021-01-01","00:14:01",""
"4135468","16.9893","0.0012","16.9893","0.0012","22.6602","0.0017","90","","90","","90","","6540.6","0.8","200.02","","200.02","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.9 Bi11 Ca13.94 Lu0.16 -","- Al0.9 Bi11 Ca13.94 Lu0.16 -","- Al7.2 Bi88 Ca111.52 Lu1.28 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0398","0.0303","","","0.0648","0.0681","","","","","","1.072","","","","has coordinates","260315","2021-01-01","00:16:02",""
"4135469","17.0092","0.0012","17.0092","0.0012","22.7001","0.0017","90","","90","","90","","6567.4","0.8","199.99","","199.99","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.89 Bi11 Ca13.95 Lu0.16 -","- Al0.889 Bi11 Ca13.948 Lu0.163 -","- Al7.112 Bi88 Ca111.584 Lu1.304 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0463","0.0318","","","0.0625","0.0668","","","","","","1.053","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135470","17.0115","0.0019","17.0115","0.0019","22.696","0.003","90","","90","","90","","6568","1.4","200","","200","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.88 Bi11 Ca13.95 Lu0.17 -","- Al0.877 Bi11 Ca13.956 Lu0.167 -","- Al7.016 Bi88 Ca111.648 Lu1.336 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0467","0.0331","","","0.0714","0.0766","","","","","","1.039","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135471","17.0165","0.0016","17.0165","0.0016","22.73","0.002","90","","90","","90","","6581.7","1","199.98","","199.98","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.85 Bi11 Ca13.96 Lu0.18 -","- Al0.852 Bi11 Ca13.964 Lu0.184 -","- Al6.816 Bi88 Ca111.712 Lu1.472 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0466","0.0336","","","0.0783","0.0836","","","","","","1.039","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135472","17.026","0.002","17.026","0.002","22.735","0.003","90","","90","","90","","6590.5","1.4","200","","200","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.86 Bi11 Ca13.95 Lu0.19 -","- Al0.855 Bi11 Ca13.952 Lu0.193 -","- Al6.84 Bi88 Ca111.616 Lu1.544 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0408","0.0305","","","0.0685","0.0722","","","","","","1.074","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135473","17.019","0.002","17.019","0.002","22.714","0.003","90","","90","","90","","6579","1.4","200.01","","200.01","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.93 Bi11 Ca13.91 Tm0.17 -","- Al0.927 Bi11 Ca13.908 Tm0.165 -","- Al7.416 Bi88 Ca111.264 Tm1.32 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0499","0.0382","","","0.0967","0.1028","","","","","","1.047","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135474","17.029","0.002","17.029","0.002","22.689","0.003","90","","90","","90","","6579.5","1.4","200.01","","200.01","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al Bi11 Ca13.9 La0.1 -","- Al Bi11 Ca13.9 La0.1 -","- Al8 Bi88 Ca111.2 La0.8 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0434","0.0305","","","0.064","0.0684","","","","","","1.068","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135475","6.75499","0.00015","10.0036","0.0002","28.9","0.0007","90","","90","","90","","1952.89","0.08","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Br2 N O3 S -","- C21 H15 Br2 N O3 S -","- C84 H60 Br8 N4 O12 S4 -","4","1","","Ito, Tsubasa; Harada, Shingo; Homma, Haruka; Takenaka, Hiroki; Hirose, Shumpei; Nemoto, Tetsuhiro","Asymmetric Intramolecular Dearomatization of Nonactivated Arenes with Ynamides for Rapid Assembly of Fused Ring System under Silver Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10682","","","1.54187","CuKα","","0.0246","0.0237","","","0.0575","0.0579","","","","","","1.065","","","","has coordinates","260316","2021-01-01","00:17:08",""
"4135476","10.1732","0.0005","10.8571","0.0005","14.6473","0.0007","71.482","0.005","78.632","0.006","79.222","0.006","1490.43","0.13","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H23 Br Cl2 N4 O5 S -","- C30 H23 Br Cl2 N4 O5 S -","- C60 H46 Br2 Cl4 N8 O10 S2 -","2","1","","Ito, Tsubasa; Harada, Shingo; Homma, Haruka; Takenaka, Hiroki; Hirose, Shumpei; Nemoto, Tetsuhiro","Asymmetric Intramolecular Dearomatization of Nonactivated Arenes with Ynamides for Rapid Assembly of Fused Ring System under Silver Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10682","","","1.54187","CuKα","","0.1436","0.0647","","","0.1061","0.1286","","","","","","0.896","","","","has coordinates","260317","2021-01-01","00:17:30",""
"4135477","10.2586","0.0002","11.4779","0.0002","16.7535","0.0002","79.687","0.001","82.79","0.001","78.383","0.001","1892.84","0.06","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H54 F6 N3.8 O4 P3 Ru S2 -","- C26 H54 F6 N3.8 O4 P3 Ru S2 -","- C52 H108 F12 N7.6 O8 P6 Ru2 S4 -","2","1","","Ma, Senjie; Hill, Christopher K.; Olen, Casey L.; Hartwig, John F.","Ruthenium-Catalyzed Hydroamination of Unactivated Terminal Alkenes with Stoichiometric Amounts of Alkene and an Ammonia Surrogate by Sequential Oxidation and Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11043","","","0.71073","MoKα","","0.0392","0.031","","","0.0736","0.0765","","","","","","1.055","","","","has coordinates,has disorder","260318","2021-01-01","00:17:58",""
"4135478","10.5702","0.0002","18.7348","0.0004","24.3472","0.0005","90","","92.934","0.002","90","","4815.17","0.17","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C29 H55 Cl2 F12 N4 O8 P3 Ru S4 -","- C29 H55 Cl2 F12 N4 O8 P3 Ru S4 -","- C116 H220 Cl8 F48 N16 O32 P12 Ru4 S16 -","4","1","","Ma, Senjie; Hill, Christopher K.; Olen, Casey L.; Hartwig, John F.","Ruthenium-Catalyzed Hydroamination of Unactivated Terminal Alkenes with Stoichiometric Amounts of Alkene and an Ammonia Surrogate by Sequential Oxidation and Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11043","","","0.71073","MoKα","","0.0378","0.0316","","","0.073","0.0754","","","","","","1.029","","","","has coordinates,has disorder","260319","2021-01-01","00:18:25",""
"4135479","11.433","0.003","18.944","0.005","18.126","0.005","90","","91.423","0.005","90","","3924.6","1.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H45 F12 N2 O8.25 P3 Ru S4 -","- C22 H45 F12 N2 O8.25 P3 Ru S4 -","- C88 H180 F48 N8 O33 P12 Ru4 S16 -","4","1","","Ma, Senjie; Hill, Christopher K.; Olen, Casey L.; Hartwig, John F.","Ruthenium-Catalyzed Hydroamination of Unactivated Terminal Alkenes with Stoichiometric Amounts of Alkene and an Ammonia Surrogate by Sequential Oxidation and Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11043","","","0.71073","MoKα","","0.0376","0.0331","","","0.0761","0.0786","","","","","","1.123","","","","has coordinates,has disorder","260320","2021-01-01","00:18:51",""
"4135480","12.6581","0.0004","14.3288","0.0004","20.7537","0.0006","90","","106.345","0.003","90","","3612.08","0.19","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H52 F6 N3 O4 P3 Ru S2 -","- C26 H52 F6 N3 O4 P3 Ru S2 -","- C104 H208 F24 N12 O16 P12 Ru4 S8 -","4","1","","Ma, Senjie; Hill, Christopher K.; Olen, Casey L.; Hartwig, John F.","Ruthenium-Catalyzed Hydroamination of Unactivated Terminal Alkenes with Stoichiometric Amounts of Alkene and an Ammonia Surrogate by Sequential Oxidation and Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11043","","","0.71073","MoKα","","0.0401","0.0335","","","0.0794","0.0819","","","","","","1.033","","","","has coordinates,has disorder","260321","2021-01-01","00:19:17",""
"4135481","13.713","0.0005","13.7765","0.0004","15.619","0.0004","86.125","0.002","86.183","0.003","60.219","0.003","2553.29","0.16","100","0.2","100","0.2","","","","","","","","6","P 1","P 1","1","","","","- C39 H74 Au0.5 K0.5 N O35 -","- C39 H74 Au0.49995 K0.5 N O35 -","- C78 H148 Au0.9999 K N2 O70 -","2","2","","Liu, Wenqi; Jones, Leighton O.; Wu, Huang; Stern, Charlotte L.; Sponenburg, Rebecca A.; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Gold Stripping from Activated Carbon Using α-Cyclodextrin.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11769","","x-ray","0.71073","MoKα","","0.0763","0.0571","","","0.1313","0.1383","","","","","","1.032","","","","has coordinates,has disorder","260322","2021-01-01","00:19:47",""
"4135482","13.99063","0.00013","23.4405","0.0002","51.2967","0.0004","90","","90","","90","","16822.6","0.2","100.02","0.1","100.02","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H74 Au K N2 O37 -","- C38 H74 Au K N2 O37 -","- C456 H888 Au12 K12 N24 O444 -","12","3","","Liu, Wenqi; Jones, Leighton O.; Wu, Huang; Stern, Charlotte L.; Sponenburg, Rebecca A.; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Gold Stripping from Activated Carbon Using α-Cyclodextrin.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11769","","x-ray","1.54184","CuKα","","0.0652","0.0588","","","0.1425","0.1474","","","","","","1.022","","","","has coordinates","260323","2021-01-01","00:20:23",""
"4135483","13.7332","0.0005","13.7848","0.0005","15.6408","0.0007","86.135","0.004","86.215","0.003","60.269","0.004","2563.5","0.2","99.98","0.17","99.98","0.17","","","","","","","","6","P 1","P 1","1","","","","- C78 H148 Ag K N2 O70 -","- C78 H148 Ag K N2 O70 -","- C78 H148 Ag K N2 O70 -","1","1","","Liu, Wenqi; Jones, Leighton O.; Wu, Huang; Stern, Charlotte L.; Sponenburg, Rebecca A.; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Gold Stripping from Activated Carbon Using α-Cyclodextrin.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11769","","x-ray","0.71073","MoKα","","0.0791","0.0755","","","0.1968","0.1988","","","","","","1.102","","","","has coordinates,has disorder","260324","2021-01-01","00:20:44",""
"4135484","25.65","0.005","16.48","0.003","17.35","0.004","90","","106.05","0.03","90","","7048","3","160","2","160","2","","","","","","","","5","C 1 2/m 1","-C 2y","12",";Sc3N@C2v(7854)-C70/NiOEP/C6H6/C7H8;","","","- C116 H55 N5 Ni Sc3 -","- C116 H52 N5 Ni Sc3 -","- C464 H208 N20 Ni4 Sc12 -","4","0.5","","Hao, Yajuan; Wang, Yaofeng; Dubrovin, Vasilii; Avdoshenko, Stanislav M.; Popov, Alexey A.; Liu, Fupin","Caught in Phase Transition: Snapshot of the Metallofullerene Sc3N@C70 Rotation in the Crystal","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10758","","","0.7999","synchrotron","","0.1172","0.0925","","","0.2737","0.3143","","","","","","1.097","","","","has coordinates","260325","2021-01-01","00:21:20",""
"4135485","17.21","0.003","16.42","0.003","25.76","0.005","90","","106.31","0.03","90","","6987","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14",";Sc3N@C2v(7854)-C70/NiOEP/C6H6/C7H8;","","","- C116 H55 N5 Ni Sc3 -","- C116 H55 N5 Ni Sc3 -","- C464 H220 N20 Ni4 Sc12 -","4","1","","Hao, Yajuan; Wang, Yaofeng; Dubrovin, Vasilii; Avdoshenko, Stanislav M.; Popov, Alexey A.; Liu, Fupin","Caught in Phase Transition: Snapshot of the Metallofullerene Sc3N@C70 Rotation in the Crystal","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10758","","","0.7999","synchrotron","","0.094","0.0805","","","0.2244","0.238","","","","","","1.059","","","","has coordinates,has disorder","260326","2021-01-01","00:21:53",""
"4135486","25.67","0.005","16.53","0.003","17.42","0.004","90","","105.99","0.03","90","","7106","3","220","2","220","2","","","","","","","","5","C 1 2/m 1","-C 2y","12",";Sc3N@C2v(7854)-C70/NiOEP/C6H6/C7H8;","","","- C116 H55 N5 Ni Sc3 -","- C116 H52 N5 Ni Sc3 -","- C464 H208 N20 Ni4 Sc12 -","4","0.5","","Hao, Yajuan; Wang, Yaofeng; Dubrovin, Vasilii; Avdoshenko, Stanislav M.; Popov, Alexey A.; Liu, Fupin","Caught in Phase Transition: Snapshot of the Metallofullerene Sc3N@C70 Rotation in the Crystal","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10758","","","0.7999","synchrotron","","0.1278","0.098","","","0.3036","0.3479","","","","","","1.081","","","","has coordinates","260327","2021-01-01","00:22:27",""
"4135487","35.208","0.009","8.244","0.002","9.711","0.003","90","","90","","90","","2818.7","1.3","296","2","296.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C120 H112 Cl8 N8 O8 -","8","2","","Yao, Ya-Hong; Yang, Hui-Yi; Chen, Ming; Wu, Fei; Xu, Xing-Xing; Guan, Zheng-Hui","Asymmetric Markovnikov Hydroaminocarbonylation of Alkenes Enabled by Palladium-Monodentate Phosphoramidite Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11249","","","0.71073","MoKα","","0.0993","0.0537","","","0.1067","0.1243","","","","","","0.969","","","","has coordinates","260328","2021-01-01","00:30:21",""
"4135488","21.642","0.0003","24.0386","0.0004","25.2054","0.0004","80.592","0.001","81.819","0.001","79.012","0.001","12615.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C223 H178.5 Ag8 F36 I2 N48.5 O25.5 S12 -","- C223.002 H171 Ag8 F36 I2 N48.501 O25.5 S12 -","- C446.004 H342 Ag16 F72 I4 N97.002 O51 S24 -","2","1","","McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Selective Anion Binding Drives the Formation of AgI8L6 and AgI12L6 Six-Stranded Helicates","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11905","","","0.6889","Synchrotron","","0.1226","0.0741","","","0.2033","0.2245","","","","","","0.965","","","","has coordinates,has disorder","260329","2021-01-01","00:31:00",""
"4135489","23.9775","0.0001","23.9775","0.0001","70.6392","0.0003","90","","90","","120","","35171","0.3","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C221 H204.5 Ag12 B4 F16 N46.5 O22.5 S4 -","- C220.999 H179.001 Ag12 B3.9999 F15.9996 N46.4995 O22.5001 S4 -","- C1326 H1074.01 Ag72 B23.9994 F95.9976 N278.997 O135.001 S24 -","6","0.333333","","McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Selective Anion Binding Drives the Formation of AgI8L6 and AgI12L6 Six-Stranded Helicates","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11905","","","0.6889","","","0.0608","0.0474","","","0.1646","0.1703","","","","","","1.071","","","","has coordinates,has disorder","260330","2021-01-01","00:31:51",""
"4135490","9.068","0.004","18.588","0.009","14.778","0.007","90","","97.915","0.006","90","","2467","2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Fe N P -","- C28 H30 Fe N P -","- C112 H120 Fe4 N4 P4 -","4","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","","0.71","synchrotron","","0.0898","0.0515","","","0.1207","0.1449","","","","","","1.0883","","","","has coordinates","260331","2021-01-01","00:33:48",""
"4135491","10.3021","0.0002","15.5176","0.0003","15.833","0.0002","90","","97.035","0.001","90","","2512.07","0.08","172.98","0.1","172.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 Fe O P -","- C28 H41 Fe O P -","- C112 H164 Fe4 O4 P4 -","4","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","x-ray","1.54184","CuKα","","0.049","0.0396","","","0.0896","0.0953","","","","","","1.062","","","","has coordinates","260331","2021-01-01","00:33:48",""
"4135492","11.1228","0.0004","12.5847","0.0005","14.3033","0.0005","68.935","0.003","74.78","0.003","72.989","0.003","1758.59","0.12","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Fe N3 P Sn -","- C36 H46 Fe N3 P Sn -","- C72 H92 Fe2 N6 P2 Sn2 -","2","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","","1.54184","CuKα","","0.051","0.0407","","","0.1036","0.113","","","","","","1.065","","","","has coordinates,has disorder","260331","2021-01-01","00:33:48",""
"4135493","10.3649","0.0005","12.66","0.0006","20.0264","0.0007","80.482","0.003","81.219","0.004","66.868","0.005","2372.1","0.2","172.99","0.1","172.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H76 Fe N P Sn2 -","- C48 H76 Fe N P Sn2 -","- C96 H152 Fe2 N2 P2 Sn4 -","2","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","x-ray","1.54184","CuKα","","0.071","0.0552","","","0.1355","0.1529","","","","","","1.054","","","","has coordinates","260331","2021-01-01","00:33:48",""
"4135494","11.1311","0.0005","12.5609","0.0006","14.3749","0.0005","68.552","0.004","73.77","0.004","72.278","0.004","1749.54","0.14","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C37 H48 Fe N O P Sn -","- C37 H48 Fe N O P Sn -","- C74 H96 Fe2 N2 O2 P2 Sn2 -","2","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","x-ray","1.54184","CuKα","","0.055","0.0468","","","0.1127","0.1169","","","","","","1.017","","","","has coordinates","260331","2021-01-01","00:33:48",""
"4135495","10.2056","0.0004","11.5487","0.0004","13.9039","0.0003","100.883","0.002","90.65","0.002","113.739","0.004","1466.13","0.1","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 Fe N P -","- C36 H36 Fe N P -","- C72 H72 Fe2 N2 P2 -","2","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","x-ray","1.54184","CuKα","","0.0409","0.0378","","","0.0997","0.1014","","","","","","1.089","","","","has coordinates","260331","2021-01-01","00:33:48",""
"4135496","10.5741","0.0002","17.7274","0.0003","33.2179","0.0005","90","","92.91","0.002","90","","6218.71","0.18","172.99","0.1","172.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H94 Fe2 O2 P2 -","- C72 H94 Fe2 O2 P2 -","- C288 H376 Fe8 O8 P8 -","4","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","x-ray","1.54184","CuKα","","0.0917","0.0728","","","0.1936","0.2412","","","","","","1.07","","","","has coordinates","260331","2021-01-01","00:33:48",""
"4135497","10.3227","0.0004","12.8127","0.0005","13.4047","0.0005","99.047","0.003","101.93","0.003","92.236","0.003","1708.36","0.12","172.99","0.1","172.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H51 Fe2 O P -","- C40 H51 Fe2 O P -","- C80 H102 Fe4 O2 P2 -","2","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","x-ray","1.54184","CuKα","","0.0522","0.0384","","","0.0866","0.0967","","","","","","1.046","","","","has coordinates","260331","2021-01-01","00:33:48",""
"4135498","8.677","0.007","12.469","0.008","13.453","0.01","98.51","0.02","98.6","0.04","105.218","0.015","1361.7","1.7","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H78 O10 P4 Re2 -","- C50 H78 O10 P4 Re2 -","- C50 H78 O10 P4 Re2 -","1","0.5","","Hu, Jenny; Bruch, Quinton J.; Miller, Alexander J. M.","Temperature and Solvent Effects on H<sub>2</sub> Splitting and Hydricity: Ramifications on CO<sub>2</sub> Hydrogenation by a Rhenium Pincer Catalyst.","Journal of the American Chemical Society","2021","143","2","945","954","10.1021/jacs.0c11110","","","1.54184","CuKα","","0.0232","0.0225","","","0.0563","0.0566","","","","","","1.164","","","","has coordinates","261499","2021-02-04","03:30:22",""
"4135499","8.1984","0.0005","13.376","0.0007","24.3513","0.0017","79.938","0.003","86.858","0.003","84.443","0.002","2615","0.3","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H39 O4 P2 Re -","- C24 H39 O4 P2 Re -","- C96 H156 O16 P8 Re4 -","4","2","","Hu, Jenny; Bruch, Quinton J.; Miller, Alexander J. M.","Temperature and Solvent Effects on H<sub>2</sub> Splitting and Hydricity: Ramifications on CO<sub>2</sub> Hydrogenation by a Rhenium Pincer Catalyst.","Journal of the American Chemical Society","2021","143","2","945","954","10.1021/jacs.0c11110","","","1.54178","CuKα","","0.0223","0.0215","","","0.0499","0.0503","","","","","","1.164","","","","has coordinates","261499","2021-02-04","03:30:22",""
"4135500","8.8548","0.0007","27.5888","0.0019","9.0559","0.0007","90","","115.112","0.005","90","","2003.2","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H42 I N3 Ni O2 -","- C50 H42 I N3 Ni O2 -","- C100 H84 I2 N6 Ni2 O4 -","2","1","","Dong, Yuyang; Lund, Colton J.; Porter, Gerard J.; Clarke, Ryan M.; Zheng, Shao-Liang; Cundari, Thomas R.; Betley, Theodore A.","Enantioselective C-H Amination Catalyzed by Nickel Iminyl Complexes Supported by Anionic Bisoxazoline (BOX) Ligands.","Journal of the American Chemical Society","2021","143","2","817","829","10.1021/jacs.0c09839","","","1.54178","CuKα","","0.0619","0.0477","","","0.0964","0.101","","","","","","0.973","","","","has coordinates","261500","2021-02-04","03:30:42",""
"4135501","10.06432","0.00011","13.6461","0.0002","35.016","0.0004","90","","90","","90","","4809.05","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54.5 H48.5 N3.5 Ni O2.5 -","- C54.5 H48.5 N3.5 Ni O2.5 -","- C218 H194 N14 Ni4 O10 -","4","1","","Dong, Yuyang; Lund, Colton J.; Porter, Gerard J.; Clarke, Ryan M.; Zheng, Shao-Liang; Cundari, Thomas R.; Betley, Theodore A.","Enantioselective C-H Amination Catalyzed by Nickel Iminyl Complexes Supported by Anionic Bisoxazoline (BOX) Ligands.","Journal of the American Chemical Society","2021","143","2","817","829","10.1021/jacs.0c09839","","","1.54184","CuKα","","0.0746","0.0635","","","0.1678","0.1794","","","","","","1.048","","","","has coordinates,has disorder","261500","2021-02-04","03:30:42",""
"4135502","15.9739","0.0011","10.4011","0.0008","18.7687","0.0015","90","","111.217","0.004","90","","2907","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71 H81 N6 Ni O2 -","- C71 H81 N6 Ni O2 -","- C142 H162 N12 Ni2 O4 -","2","1","","Dong, Yuyang; Lund, Colton J.; Porter, Gerard J.; Clarke, Ryan M.; Zheng, Shao-Liang; Cundari, Thomas R.; Betley, Theodore A.","Enantioselective C-H Amination Catalyzed by Nickel Iminyl Complexes Supported by Anionic Bisoxazoline (BOX) Ligands.","Journal of the American Chemical Society","2021","143","2","817","829","10.1021/jacs.0c09839","","","1.54178","CuKα","","0.0502","0.0472","","","0.1235","0.1254","","","","","","1.024","","","","has coordinates","261500","2021-02-04","03:30:42",""
"4135503","9.6441","0.0008","28.862","0.002","42.241","0.002","90","","90","","90","","11757.7","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H52 N3 Ni O2 -","- C55 H52 N3 Ni O2 -","- C440 H416 N24 Ni8 O16 -","8","2","","Dong, Yuyang; Lund, Colton J.; Porter, Gerard J.; Clarke, Ryan M.; Zheng, Shao-Liang; Cundari, Thomas R.; Betley, Theodore A.","Enantioselective C-H Amination Catalyzed by Nickel Iminyl Complexes Supported by Anionic Bisoxazoline (BOX) Ligands.","Journal of the American Chemical Society","2021","143","2","817","829","10.1021/jacs.0c09839","","","0.71073","MoKα","","0.1962","0.082","","","0.1623","0.2031","","","","","","0.961","","","","has coordinates,has disorder","261500","2021-02-04","03:30:42",""
"4135504","12.9686","0.0015","17.018","0.002","14.8907","0.0017","90","","99.641","0.002","90","","3240","0.7","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Bi F6 N3 O6 S4 -","- C28 H20 Bi F6 N3 O6 S4 -","- C112 H80 Bi4 F24 N12 O24 S16 -","4","1","","Ma, Wenqiang; Xu, Letian; Zhang, Sikun; Li, Guoping; Ma, Tianyu; Rao, Bin; Zhang, Mingming; He, Gang","Phosphorescent Bismoviologens for Electrophosphorochromism and Visible Light-Induced Cross-Dehydrogenative Coupling.","Journal of the American Chemical Society","2021","143","3","1590","1597","10.1021/jacs.0c12015","","","0.71073","MoKα","","0.031","0.0235","","","0.0557","0.0584","","","","","","1.055","","","","has coordinates,has disorder","261503","2021-02-04","03:31:37",""
"4135505","17.628","0.014","15.7","0.012","19.843","0.015","90","","97.887","0.01","90","","5440","7","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Bi2 F12 N4 O16 S4 -","- C40 H42 Bi2 F12 N4 O16 S4 -","- C160 H168 Bi8 F48 N16 O64 S16 -","4","1","","Ma, Wenqiang; Xu, Letian; Zhang, Sikun; Li, Guoping; Ma, Tianyu; Rao, Bin; Zhang, Mingming; He, Gang","Phosphorescent Bismoviologens for Electrophosphorochromism and Visible Light-Induced Cross-Dehydrogenative Coupling.","Journal of the American Chemical Society","2021","143","3","1590","1597","10.1021/jacs.0c12015","","","0.71073","MoKα","","0.0653","0.0398","","","0.0838","0.093","","","","","","1.054","","","","has coordinates","261503","2021-02-04","03:31:37",""
"4135506","13.658","0.005","17.056","0.006","14.691","0.005","90","","98.946","0.004","90","","3381","2","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Bi F6 N3 O6 S2 -","- C32 H24 Bi F6 N3 O6 S2 -","- C128 H96 Bi4 F24 N12 O24 S8 -","4","1","","Ma, Wenqiang; Xu, Letian; Zhang, Sikun; Li, Guoping; Ma, Tianyu; Rao, Bin; Zhang, Mingming; He, Gang","Phosphorescent Bismoviologens for Electrophosphorochromism and Visible Light-Induced Cross-Dehydrogenative Coupling.","Journal of the American Chemical Society","2021","143","3","1590","1597","10.1021/jacs.0c12015","","","0.71073","MoKα","","0.0882","0.0545","","","0.1309","0.1515","","","","","","1.044","","","","has coordinates,has disorder","261503","2021-02-04","03:31:37",""
"4135507","18.2062","0.0004","18.2062","0.0004","50.559","0.0019","90","","90","","120","","14513.4","0.7","100","0.1","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C72 H48 N12 O50 Pb4 Zr9 -","- C72 H48 N12 O50 Pb4 Zr9 -","- C216 H144 N36 O150 Pb12 Zr27 -","3","0.166667","","Gong, Wei; Arman, Hadi; Chen, Zhijie; Xie, Yi; Son, Florencia A.; Cui, Hui; Chen, Xinfa; Shi, Yanshu; Liu, Yan; Chen, Banglin; Farha, Omar K.; Cui, Yong","Highly Specific Coordination-Driven Self-Assembly of 2D Heterometallic Metal-Organic Frameworks with Unprecedented Johnson-type (<i>J</i><sub>51</sub>) Nonanuclear Zr-Oxocarboxylate Clusters.","Journal of the American Chemical Society","2021","143","2","657","663","10.1021/jacs.0c11881","","","1.54184","CuKα","","0.0813","0.0746","","","0.2156","0.2263","","","","","","1.071","","","","has coordinates,has disorder","261501","2021-02-04","03:31:08",""
"4135508","9.8779","0.0001","12.4026","0.0002","19.6503","0.0004","88.951","0.001","78.258","0.001","87.952","0.001","2355.36","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72 H112 Mo4 N12 O36 Zr6 -","- C72 H112 Mo4 N12 O36 Zr6 -","- C72 H112 Mo4 N12 O36 Zr6 -","1","0.5","","Gong, Wei; Arman, Hadi; Chen, Zhijie; Xie, Yi; Son, Florencia A.; Cui, Hui; Chen, Xinfa; Shi, Yanshu; Liu, Yan; Chen, Banglin; Farha, Omar K.; Cui, Yong","Highly Specific Coordination-Driven Self-Assembly of 2D Heterometallic Metal-Organic Frameworks with Unprecedented Johnson-type (<i>J</i><sub>51</sub>) Nonanuclear Zr-Oxocarboxylate Clusters.","Journal of the American Chemical Society","2021","143","2","657","663","10.1021/jacs.0c11881","","x-ray","1.54184","CuKα","","0.0353","0.0337","","","0.0881","0.0892","","","","","","1.094","","","","has coordinates","261501","2021-02-04","03:31:08",""
"4135509","18.3642","0.0007","18.3642","0.0007","33.9939","0.0015","90","","90","","120","","9928.3","0.7","100","2","100","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C36 H24 I7 N6 O47 Pb2 Zr9 -","- C36 H24 I7 N6 O47 Pb2 Zr9 -","- C72 H48 I14 N12 O94 Pb4 Zr18 -","2","0.333333","","Gong, Wei; Arman, Hadi; Chen, Zhijie; Xie, Yi; Son, Florencia A.; Cui, Hui; Chen, Xinfa; Shi, Yanshu; Liu, Yan; Chen, Banglin; Farha, Omar K.; Cui, Yong","Highly Specific Coordination-Driven Self-Assembly of 2D Heterometallic Metal-Organic Frameworks with Unprecedented Johnson-type (<i>J</i><sub>51</sub>) Nonanuclear Zr-Oxocarboxylate Clusters.","Journal of the American Chemical Society","2021","143","2","657","663","10.1021/jacs.0c11881","","","0.71073","MoKα","","0.0849","0.0806","","","0.2191","0.2239","","","","","","1.067","","","","has coordinates","261501","2021-02-04","03:31:08",""
"4135510","15.71033","0.00008","19.70013","0.0001","19.76725","0.00011","90","","103.716","0.0005","90","","5943.4","0.06","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H57 Cl Co N8 O20 Zr3 -","- C44 H57 Cl Co N8 O20 Zr3 -","- C176 H228 Cl4 Co4 N32 O80 Zr12 -","4","1","","Gong, Wei; Arman, Hadi; Chen, Zhijie; Xie, Yi; Son, Florencia A.; Cui, Hui; Chen, Xinfa; Shi, Yanshu; Liu, Yan; Chen, Banglin; Farha, Omar K.; Cui, Yong","Highly Specific Coordination-Driven Self-Assembly of 2D Heterometallic Metal-Organic Frameworks with Unprecedented Johnson-type (<i>J</i><sub>51</sub>) Nonanuclear Zr-Oxocarboxylate Clusters.","Journal of the American Chemical Society","2021","143","2","657","663","10.1021/jacs.0c11881","","x-ray","1.54184","CuKα","","0.0573","0.0555","","","0.1373","0.1384","","","","","","1.121","","","","has coordinates,has disorder","261501","2021-02-04","03:31:08",""
"4135511","15.1229","0.0003","20.0995","0.0004","25.5356","0.0004","76.234","0.002","79.884","0.001","68.246","0.002","6969","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66 H54 Br12 N6 O20 Pd5 Zr6 -","- C66 H54 Br12 N6 O20 Pd5 Zr6 -","- C132 H108 Br24 N12 O40 Pd10 Zr12 -","2","1","","Gong, Wei; Arman, Hadi; Chen, Zhijie; Xie, Yi; Son, Florencia A.; Cui, Hui; Chen, Xinfa; Shi, Yanshu; Liu, Yan; Chen, Banglin; Farha, Omar K.; Cui, Yong","Highly Specific Coordination-Driven Self-Assembly of 2D Heterometallic Metal-Organic Frameworks with Unprecedented Johnson-type (<i>J</i><sub>51</sub>) Nonanuclear Zr-Oxocarboxylate Clusters.","Journal of the American Chemical Society","2021","143","2","657","663","10.1021/jacs.0c11881","","x-ray","1.54184","CuKα","","0.0946","0.0867","","","0.1904","0.1941","","","","","","1.162","","","","has coordinates","261501","2021-02-04","03:31:08",""
"4135512","11.9047","0.0006","6.0106","0.0004","9.713","0.0006","90","","90","","90","","695.01","0.07","293","2","293","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C5 H16 Br4 N Pb -","- C5 H16 Br4 N2 Pb -","- C10 H32 Br8 N4 Pb2 -","2","0.25","","Zhang, Han-Yue; Zhang, Zhi-Xu; Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Yi; Xiong, Ren-Gen","Large Electrostrictive Coefficient in a Two-Dimensional Hybrid Perovskite Ferroelectric.","Journal of the American Chemical Society","2021","143","3","1664","1672","10.1021/jacs.0c12907","","","0.71073","MoKα","","0.0996","0.082","","","0.2151","0.2286","","","","","","1.126","","","","has coordinates","261502","2021-02-04","03:31:21",""
"4135513","6.0177","0.0003","12.0789","0.0005","9.9796","0.0004","90","","90.145","0.004","90","","725.39","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H16 Br4 N P Pb -","- C5 H16 Br4 N P Pb -","- C10 H32 Br8 N2 P2 Pb2 -","2","1","","Zhang, Han-Yue; Zhang, Zhi-Xu; Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Yi; Xiong, Ren-Gen","Large Electrostrictive Coefficient in a Two-Dimensional Hybrid Perovskite Ferroelectric.","Journal of the American Chemical Society","2021","143","3","1664","1672","10.1021/jacs.0c12907","","","0.71073","MoKα","","0.0694","0.0679","","","0.1764","0.1774","","","","","","1.074","","","","has coordinates","261502","2021-02-04","03:31:21",""
"4135514","6.0691","0.0004","12.1645","0.0006","10.0438","0.0005","90","","90.154","0.005","90","","741.51","0.07","448","2","448","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H16 Br4 N P Pb -","- C5 H16 Br4 N P Pb -","- C10 H32 Br8 N2 P2 Pb2 -","2","1","","Zhang, Han-Yue; Zhang, Zhi-Xu; Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Yi; Xiong, Ren-Gen","Large Electrostrictive Coefficient in a Two-Dimensional Hybrid Perovskite Ferroelectric.","Journal of the American Chemical Society","2021","143","3","1664","1672","10.1021/jacs.0c12907","","","0.71073","MoKα","","0.0963","0.0823","","","0.2139","0.2206","","","","","","1.017","","","","has coordinates","261502","2021-02-04","03:31:21",""
"4135515","9.8868","0.0003","11.3094","0.0005","19.5352","0.0007","91.166","0.003","94.315","0.003","90.523","0.003","2177.54","0.14","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C79 H88 B4 Co2 F12 N24 P2 -","- C79 H88 B4 Co2 F12.008 N24 P2 -","- C79 H88 B4 Co2 F12.008 N24 P2 -","1","0.5","","Kaufhold, Simon; Rosemann, Nils W.; Chábera, Pavel; Lindh, Linnea; Bolaño Losada, Iria; Uhlig, Jens; Pascher, Torbjörn; Strand, Daniel; Wärnmark, Kenneth; Yartsev, Arkady; Persson, Petter","Microsecond Photoluminescence and Photoreactivity of a Metal-Centered Excited State in a Hexacarbene-Co(III) Complex.","Journal of the American Chemical Society","2021","143","3","1307","1312","10.1021/jacs.0c12151","","","0.71073","MoKα","","0.0705","0.0511","","","0.1076","0.1174","","","","","","1.02","","","","has coordinates,has disorder","261504","2021-02-04","03:31:50",""
"4135516","11.7841","0.0003","14.7106","0.0005","15.8655","0.0005","110.309","0.002","97.196","0.002","100.853","0.002","2478.35","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27.5 H20.5 B F9 N -","- C27.5 H20.5 B F9 N -","- C110 H82 B4 F36 N4 -","4","2","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.089","0.0548","","","0.1334","0.1544","","","","","","1.013","","","","has coordinates,has disorder","261059","2021-01-19","23:59:56",""
"4135517","9.3001","0.0003","27.1592","0.001","14.5554","0.0005","90","","99.578","0.002","90","","3625.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H32 B F9 N2 -","- C41 H32 B F9 N2 -","- C164 H128 B4 F36 N8 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","0.71073","MoKα","","0.1094","0.0797","","","0.2019","0.2284","","","","","","1.062","","","","has coordinates,has disorder","261059","2021-01-19","23:59:57",""
"4135518","8.6995","0.0003","12.2055","0.0004","15.8773","0.0005","95.526","0.002","90.646","0.002","96.315","0.002","1667.45","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 B F9 N2 -","- C31 H28 B F9 N2 -","- C62 H56 B2 F18 N4 -","2","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.0671","0.0456","","","0.111","0.1211","","","","","","1.036","","","","has coordinates,has disorder","261059","2021-01-19","23:59:57",""
"4135519","11.2377","0.0003","11.1974","0.0002","24.4577","0.0006","90","","90.739","0.002","90","","3077.33","0.12","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 B F9 N2 -","- C33 H32 B F9 N2 -","- C132 H128 B4 F36 N8 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.0818","0.0559","","","0.1348","0.1489","","","","","","1.03","","","","has coordinates,has disorder","261059","2021-01-19","23:59:57",""
"4135520","8.6311","0.0007","14.6478","0.0012","15.7274","0.0012","109.702","0.005","92.143","0.005","92.957","0.006","1866.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H44 B F9 N2 -","- C40 H44 B F9 N2 -","- C80 H88 B2 F18 N4 -","2","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.1096","0.0615","","","0.1383","0.1672","","","","","","1.041","","","","has coordinates,has disorder","261059","2021-01-19","23:59:57",""
"4135521","13.7751","0.0003","11.5702","0.0002","17.4052","0.0004","90","","97.609","0.001","90","","2749.63","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 B F9 N2 -","- C30 H26 B F9 N2 -","- C120 H104 B4 F36 N8 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.0544","0.0422","","","0.0937","0.0998","","","","","","1.072","","","","has coordinates","261059","2021-01-19","23:59:57",""
"4135522","10.4043","0.0003","11.6812","0.0003","13.5156","0.0003","92.081","0.001","94.373","0.001","113.272","0.001","1500.61","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H30 B F9 N2 O2 -","- C29 H30 B F9 N2 O2 -","- C58 H60 B2 F18 N4 O4 -","2","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","0.71073","MoKα","","0.0456","0.0412","","","0.0934","0.096","","","","","","1.032","","","","has coordinates","261059","2021-01-19","23:59:57",""
"4135523","8.6969","0.0001","11.9109","0.0002","17.6858","0.0003","92.728","0.001","95.676","0.001","97.742","0.001","1802.98","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H28 B F9 N2 -","- C35 H28 B F9 N2 -","- C70 H56 B2 F18 N4 -","2","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.0687","0.0504","","","0.1172","0.1267","","","","","","1.029","","","","has coordinates,has disorder","261059","2021-01-19","23:59:57",""
"4135524","22.8203","0.0006","8.8132","0.0003","31.8125","0.0009","90","","90","","90","","6398.1","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H30 B F9 N2 O -","- C36 H30 B F9 N2 O -","- C288 H240 B8 F72 N16 O8 -","8","2","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.0376","0.033","","","0.0784","0.081","","","","","","1.029","","","","has coordinates,has disorder","261059","2021-01-19","23:59:57",""
"4135525","8.7867","0.0002","12.7686","0.0002","16.8144","0.0003","102.723","0.001","103.383","0.001","91.86","0.001","1783.25","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34 B Br F9 N2 -","- C38 H34 B Br F9 N2 -","- C76 H68 B2 Br2 F18 N4 -","2","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.0347","0.0316","","","0.0804","0.0823","","","","","","1.034","","","","has coordinates,has disorder","261059","2021-01-19","23:59:57",""
"4135526","17.0933","0.0003","9.8292","0.0002","17.4543","0.0003","90","","95.43","0.001","90","","2919.4","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H25 B F9 N -","- C34 H25 B F9 N -","- C136 H100 B4 F36 N4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.0438","0.0376","","","0.1002","0.1045","","","","","","1.041","","","","has coordinates","261060","2021-01-20","00:02:34",""
"4135527","34.991","0.003","34.991","0.003","12.8827","0.001","90","","90","","120","","13660","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C34 H25 B F9 N -","- C34 H25 B F9 N -","- C612 H450 B18 F162 N18 -","18","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.0779","0.0528","","","0.1252","0.1418","","","","","","1.04","","","","has coordinates,has disorder","261060","2021-01-20","00:02:34",""
"4135528","28.1571","0.0016","9.619","0.0005","28.4643","0.0016","90","","104.279","0.002","90","","7471.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 B F9 S -","- C25 H20 B F9 S -","- C300 H240 B12 F108 S12 -","12","3","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","0.71073","MoKα","","0.0954","0.0698","","","0.1338","0.1442","","","","","","1.131","","","","has coordinates,has disorder","261060","2021-01-20","00:02:34",""
"4135529","12.9016","0.0011","12.5211","0.0011","27.465","0.002","90","","102.563","0.005","90","","4330.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 B F9 N P -","- C47 H56 B F9 N P -","- C188 H224 B4 F36 N4 P4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.1053","0.0851","","","0.1684","0.1776","","","","","","1.123","","","","has coordinates,has disorder","261060","2021-01-20","00:02:34",""
"4135530","10.0146","0.0006","11.7824","0.0007","14.7823","0.0009","66.606","0.004","81.108","0.004","68.68","0.004","1491.21","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H21 B Br2 F9 N -","- C32 H21 B Br2 F9 N -","- C64 H42 B2 Br4 F18 N2 -","2","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.0886","0.0604","","","0.1491","0.1623","","","","","","1.09","","","","has coordinates,has disorder","261060","2021-01-20","00:02:34",""
"4135531","8.7614","0.0002","29.9845","0.0007","8.298","0.0002","90","","97.13","0.001","90","","2163.08","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 B F9 N -","- C22 H19 B F9 N -","- C88 H76 B4 F36 N4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","0.71073","MoKα","","0.0885","0.0719","","","0.1915","0.2099","","","","","","1.041","","","","has coordinates,has disorder","261060","2021-01-20","00:02:34",""
"4135532","23.0146","0.0005","14.3686","0.0003","16.876","0.0004","90","","104.441","0.001","90","","5404.4","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 B F9 N -","- C24 H23 B F8.997 N -","- C192 H184 B8 F71.976 N8 -","8","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","0.71073","MoKα","","0.0943","0.088","","","0.2386","0.2474","","","","","","1.066","","","","has coordinates,has disorder","261060","2021-01-20","00:02:34",""
"4135533","12.5513","0.0008","19.8452","0.0013","21.0373","0.0015","109.234","0.002","94.57","0.002","93.812","0.002","4907.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 B F9 N -","- C26 H23 B F9 N -","- C208 H184 B8 F72 N8 -","8","4","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","0.71073","MoKα","","0.1789","0.0825","","","0.1666","0.2149","","","","","","1.005","","","","has coordinates,has disorder","261061","2021-01-20","00:04:24",""
"4135534","8.0098","0.0002","15.6527","0.0004","21.2837","0.0005","90","","96.428","0.001","90","","2651.67","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 B F9 N -","- C31 H21 B F9 N -","- C124 H84 B4 F36 N4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","0.71073","MoKα","","0.0575","0.0471","","","0.1054","0.1116","","","","","","1.057","","","","has coordinates","261061","2021-01-20","00:04:24",""
"4135535","13.2994","0.0006","12.6152","0.0006","26.6795","0.0011","90","","101.241","0.001","90","","4390.3","0.3","105","2","105","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 B F9 N P -","- C47 H56 B F9 N P -","- C188 H224 B4 F36 N4 P4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","0.71073","MoKα","","0.0758","0.0536","","","0.1163","0.1261","","","","","","1.044","","","","has coordinates","261061","2021-01-20","00:04:24",""
"4135536","8.6983","0.0002","10.421","0.0002","19.0291","0.0004","77","0.001","76.946","0.001","82.311","0.001","1630.98","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 B F9 Ir N -","- C40 H34 B F9 Ir N -","- C80 H68 B2 F18 Ir2 N2 -","2","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.0452","0.0383","","","0.0903","0.0936","","","","","","1.115","","","","has coordinates","261061","2021-01-20","00:04:24",""
"4135537","25.8026","0.0013","10.3993","0.0005","26.3164","0.0013","90","","110.6","0.002","90","","6609.9","0.6","102","2","102","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H30 B F9 N Rh -","- C39 H30 B F9 N Rh -","- C312 H240 B8 F72 N8 Rh8 -","8","2","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","0.71073","MoKα","","0.0614","0.0432","","","0.0811","0.0882","","","","","","1.047","","","","has coordinates","261061","2021-01-20","00:04:24",""
"4135538","39.4711","0.0003","39.4711","0.0003","66.5589","0.0007","90","","90","","120","","89803.9","1.4","149.99","0.11","149.99","0.11","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C428 H462 B F4 N96 O2 Pd12 -","- C428 H462 B F3.9998 N96 O2 Pd12 -","- C2568 H2772 B6 F23.9988 N576 O12 Pd72 -","6","0.166667","","Cai, Li-Xuan; Yan, Dan-Ni; Cheng, Pei-Ming; Xuan, Jin-Jin; Li, Shao-Chuan; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu","Controlled Self-Assembly and Multistimuli-Responsive Interconversions of Three Conjoined Twin-Cages.","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12064","","","1.3405","GaKα","","0.1149","0.0877","","","0.2513","0.2951","","","","","","1.048","","","","has coordinates","261122","2021-01-21","23:57:08",""
"4135539","16.0016","0.0017","19.225","0.003","65.934","0.009","93.64","0.002","94.207","0.002","113.095","0.002","18513","4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C204 H216 B0 F0 N48 O0 Pd6 -","- C204 H216 N48 Pd6 -","- C408 H432 N96 Pd12 -","2","1","","Cai, Li-Xuan; Yan, Dan-Ni; Cheng, Pei-Ming; Xuan, Jin-Jin; Li, Shao-Chuan; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu","Controlled Self-Assembly and Multistimuli-Responsive Interconversions of Three Conjoined Twin-Cages.","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12064","","","0.65253","Synchrotron","","0.1676","0.1167","","","0.317","0.3539","","","","","","1.058","","","","has coordinates","261123","2021-01-21","23:57:47",""
"4135540","28.7906","0.0004","28.7906","0.0004","41.6357","0.0019","90","","90","","120","","29888.1","1.5","100.2","0.9","100.2","0.9","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C284 H330 N54 O88 Pd6 -","- C284 H330 N54 O88 Pd6 -","- C568 H660 N108 O176 Pd12 -","2","0.166667","","Cai, Li-Xuan; Yan, Dan-Ni; Cheng, Pei-Ming; Xuan, Jin-Jin; Li, Shao-Chuan; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu","Controlled Self-Assembly and Multistimuli-Responsive Interconversions of Three Conjoined Twin-Cages.","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12064","","","1.3405","GaKα","","0.2206","0.1695","","","0.4232","0.4816","","","","","","1.65","","","","has coordinates","261124","2021-01-21","23:58:23",""
"4135541","39.5433","0.0014","39.5433","0.0014","65.854","0.002","90","","90","","120","","89178","5","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C408 H432 B F4 N96 O0 Pd12 -","- C408 H432 B F3.9998 N96 Pd12 -","- C2448 H2592 B6 F23.9988 N576 Pd72 -","6","0.166667","","Cai, Li-Xuan; Yan, Dan-Ni; Cheng, Pei-Ming; Xuan, Jin-Jin; Li, Shao-Chuan; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu","Controlled Self-Assembly and Multistimuli-Responsive Interconversions of Three Conjoined Twin-Cages.","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12064","","","0.71073","MoKα","","0.1177","0.0782","","","0.2298","0.2553","","","","","","1.591","","","","has coordinates","261125","2021-01-21","23:59:31",""
"4135542","11.506","0.008","12.614","0.006","17.118","0.016","75.681","0.017","71.28","0.03","88.66","0.015","2276","3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H68 N2 O3 Ru -","- C53 H68 N2 O3 Ru -","- C106 H136 N4 O6 Ru2 -","2","1","","Xu, Yan; Wong, Jonathan J.; Samkian, Adrian E.; Ko, Jeong Hoon; Chen, Shuming; Houk, K. N.; Grubbs, Robert H.","Efficient Z-Selective Olefin-Acrylamide Cross-Metathesis Enabled by Sterically Demanding Cyclometalated Ruthenium Catalysts","Journal of the American Chemical Society","2020","142","","20987","20993","10.1021/jacs.0c11334","","","0.71073","MoKα","","0.0475","0.0338","","","0.0722","0.0768","","","","","","1.04","","","","has coordinates","261190","2021-01-25","10:14:17",""
"4135543","21.9714","0.0005","21.9714","0.0005","17.1198","0.0009","90","","90","","120","","7157.2","0.4","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)","","- C132 H66 Eu9 N0 O47 -","- C132 H66 Eu9 O47 -","- C132 H66 Eu9 O47 -","1","0.0833333","","Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai","Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c11546","","","1.54178","CuKα","","0.0877","0.0615","","","0.1697","0.1882","","","","","","1.002","","","","has coordinates,has disorder","261202","2021-01-25","23:51:54",""
"4135544","20.6567","0.0004","20.6567","0.0004","42.465","0.002","90","","90","","90","","18119.8","1","140","2","140","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)","","- C132 H89 Eu6 N0 O34 -","- C132 H89 Eu6 O34 -","- C264 H178 Eu12 O68 -","2","0.125","","Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai","Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c11546","","","1.54178","CuKα","","0.1829","0.0897","","","0.2639","0.3791","","","","","","1.005","","","","has coordinates","261202","2021-01-25","23:51:55",""
"4135545","19.4615","0.0002","19.4615","0.0002","33.5718","0.0006","90","","90","","90","","12715.3","0.3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C92 H68 Eu6 O34 -","- C92 H68 Eu6 O34 -","- C184 H136 Eu12 O68 -","2","0.125","","Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai","Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c11546","","","1.54178","CuKα","","0.0844","0.0471","","","0.1282","0.1495","","","","","","0.96","","","","has coordinates","261202","2021-01-25","23:51:55",""
"4135546","25.8315","0.0002","25.8315","0.0002","18.5628","0.0003","90","","90","","120","","10726.9","0.2","293","2","293","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C168 H84 N3 O47 Y9 -","- C168 H84 N3 O47 Y9 -","- C168 H84 N3 O47 Y9 -","1","0.0416667","","Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai","Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c11546","","","1.54178","CuKα","","0.1221","0.1156","","","0.2713","0.2752","","","","","","0.97","","","","has coordinates","261202","2021-01-25","23:51:55",""
"4135547","20.6796","0.0008","32.49","0.0005","34.067","0.0006","90","","90","","90","","22888.9","1","293","2","293","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C82 H36 N2 O32 Yb6 -","- C82 H36 N2 O32 Yb6 -","- C328 H144 N8 O128 Yb24 -","4","0.25","","Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai","Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c11546","","","1.54178","CuKα","","0.0987","0.0629","","","0.1681","0.1906","","","","","","1.008","","","","has coordinates","261202","2021-01-25","23:51:55",""
"4135548","33.2301","0.0016","16.6318","0.0008","25.9567","0.0012","90","","90","","90","","14345.7","1.2","110","2","110","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C72 H36 Eu6 N0 O36 -","- C72 H38 Eu6 O36 -","- C288 H152 Eu24 O144 -","4","0.25","","Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai","Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c11546","","","1.54178","CuKα","","0.1143","0.0769","","","0.1999","0.2313","","","","","","0.994","","","","has coordinates","261202","2021-01-25","23:51:55",""
"4135549","21.2622","0.0013","34.585","0.002","25.8759","0.0015","90","","92.438","0.003","90","","19010.7","1.9","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H42 Eu6 N2 O35 -","- C84 H42 Eu6 N2 O35 -","- C336 H168 Eu24 N8 O140 -","4","0.5","","Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai","Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c11546","","","1.54178","CuKα","","0.1971","0.0813","","","0.2038","0.2866","","","","","","1.003","","","","has coordinates","261202","2021-01-25","23:51:55",""
"4135550","18.8477","0.0005","19.186","0.0006","25.9293","0.0006","77.192","0.002","82.391","0.002","61.252","0.003","8012.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C83.5 H47.5 Eu6 F N3.5 O34.75 -","- C83.5 H47.5 Eu6 F N3.5 O34.75 -","- C167 H95 Eu12 F2 N7 O69.5 -","2","1","","Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai","Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c11546","","","1.54178","CuKα","","0.0858","0.0553","","","0.1462","0.1669","","","","","","0.959","","","","has coordinates,has disorder","261202","2021-01-25","23:51:55",""
"4135551","5.8732","0.0002","7.3387","0.0003","32.129","0.0014","90","","90","","90","","1384.81","0.1","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br O -","- C17 H15 Br O -","- C68 H60 Br4 O4 -","4","1","","Nam, Donggeon; Steck, Viktoria; Potenzino, Robert J.; Fasan, Rudi","A Diverse Library of Chiral Cyclopropane Scaffolds via Chemoenzymatic Assembly and Diversification of Cyclopropyl Ketones.","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c09504","","x-ray","1.54184","CuKα","","0.0364","0.0307","","","0.083","0.0836","","","","","","1.101","","","","has coordinates","261275","2021-01-27","23:49:48",""
"4135552","7.3854","0.0001","5.8539","0.0001","17.0708","0.0002","90","","93.674","0.001","90","","736.512","0.018","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 Br O -","- C18 H17 Br O -","- C36 H34 Br2 O2 -","2","1","","Nam, Donggeon; Steck, Viktoria; Potenzino, Robert J.; Fasan, Rudi","A Diverse Library of Chiral Cyclopropane Scaffolds via Chemoenzymatic Assembly and Diversification of Cyclopropyl Ketones.","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c09504","","x-ray","1.54184","CuKα","","0.0342","0.0338","","","0.089","0.0892","","","","","","1.13","","","","has coordinates","261276","2021-01-27","23:50:10",""
"4135553","7.1245","0.0001","10.7356","0.0001","19.3304","0.0001","90","","90","","90","","1478.5","0.03","294.15","","294.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Zheng, Yin; Qin, Tianzhu; Zi, Weiwei","Enantioselective Inverse Electron Demand (3 + 2) Cycloaddition of Palladium-Oxyallyl Enabled by a Hydrogen-Bond-Donating Ligand.","Journal of the American Chemical Society","2021","143","2","1038","1045","10.1021/jacs.0c11504","","x-ray","1.54184","CuKα","","0.0312","0.0305","","","0.0854","0.0859","","","","","","1.049","","","","has coordinates","261432","2021-02-04","00:27:20",""
"4135554","6.9529","0.0001","11.3947","0.0001","15.9363","0.0001","90","","90","","90","","1262.57","0.02","294.15","","294.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Zheng, Yin; Qin, Tianzhu; Zi, Weiwei","Enantioselective Inverse Electron Demand (3 + 2) Cycloaddition of Palladium-Oxyallyl Enabled by a Hydrogen-Bond-Donating Ligand.","Journal of the American Chemical Society","2021","143","2","1038","1045","10.1021/jacs.0c11504","","x-ray","1.54184","CuKα","","0.0403","0.0399","","","0.1217","0.1223","","","","","","1.048","","","","has coordinates,has disorder","261433","2021-02-04","00:27:46",""
"4135555","6.43106","0.00006","6.6975","0.00004","28.04143","0.00019","90","","90","","90","","1207.8","0.016","291.15","","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Zheng, Yin; Qin, Tianzhu; Zi, Weiwei","Enantioselective Inverse Electron Demand (3 + 2) Cycloaddition of Palladium-Oxyallyl Enabled by a Hydrogen-Bond-Donating Ligand.","Journal of the American Chemical Society","2021","143","2","1038","1045","10.1021/jacs.0c11504","","x-ray","1.54184","CuKα","","0.0375","0.037","","","0.0994","0.0998","","","","","","1.079","","","","has coordinates,has disorder","261434","2021-02-04","00:28:11",""
"4135556","10.38073","0.00007","6.43018","0.00005","12.80016","0.0001","90","","105.967","0.0007","90","","821.448","0.011","291.15","","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 F N O3 -","- C19 H16 F N O3 -","- C38 H32 F2 N2 O6 -","2","1","","Zheng, Yin; Qin, Tianzhu; Zi, Weiwei","Enantioselective Inverse Electron Demand (3 + 2) Cycloaddition of Palladium-Oxyallyl Enabled by a Hydrogen-Bond-Donating Ligand.","Journal of the American Chemical Society","2021","143","2","1038","1045","10.1021/jacs.0c11504","","x-ray","1.54184","CuKα","","0.0358","0.0351","","","0.0995","0.1003","","","","","","1.044","","","","has coordinates","261435","2021-02-04","00:28:34",""
"4135557","13.0619","0.0012","17.9017","0.0017","22.873","0.002","103.46","0.002","101.469","0.002","91.663","0.002","5081.7","0.8","296.15","","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C52 H76 O20 -","- C52 H75 O20 -","- C208 H300 O80 -","4","2","","Shao, Li; Zhang, Hanwen; He, Xiaoqing; Hua, Bin; Hu, Xiangquan; Wan, Caixia; Kelley, Steven P.; Atwood, Jerry L.","Molecular Entrapment of Polymers by Pyrogallol[4]arenes.","Journal of the American Chemical Society","2021","143","2","693","698","10.1021/jacs.0c12685","","","0.71073","MoKα","","0.0793","0.0552","","","0.147","0.1666","","","","","","1.029","","","","has coordinates,has disorder","261436","2021-02-04","00:29:29",""
"4135558","11.6204","0.0007","23.4636","0.0012","35.458","0.002","90","","96.637","0.002","90","","9603.1","0.9","298.15","","298.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C90 H122 N O31.5 -","- C90 H122 N O31.5 -","- C360 H488 N4 O126 -","4","1","","Shao, Li; Zhang, Hanwen; He, Xiaoqing; Hua, Bin; Hu, Xiangquan; Wan, Caixia; Kelley, Steven P.; Atwood, Jerry L.","Molecular Entrapment of Polymers by Pyrogallol[4]arenes.","Journal of the American Chemical Society","2021","143","2","693","698","10.1021/jacs.0c12685","","","0.71073","MoKα","","0.1583","0.0819","","","0.216","0.2659","","","","","","1.036","","","","has coordinates,has disorder","261437","2021-02-04","00:30:02",""
"4135559","45.4178","0.0015","9.3163","0.0003","23.3301","0.0009","90","","119.415","0.002","90","","8599","0.5","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C44 H61 O16.5 -","- C44 H61 O16.5 -","- C352 H488 O132 -","8","1","","Shao, Li; Zhang, Hanwen; He, Xiaoqing; Hua, Bin; Hu, Xiangquan; Wan, Caixia; Kelley, Steven P.; Atwood, Jerry L.","Molecular Entrapment of Polymers by Pyrogallol[4]arenes.","Journal of the American Chemical Society","2021","143","2","693","698","10.1021/jacs.0c12685","","","1.54178","CuKα","","0.0724","0.0681","","","0.1793","0.1827","","","","","","1.122","","","","has coordinates","261438","2021-02-04","00:30:30",""
"4135560","8.0048","0.0003","9.3168","0.0003","25.9145","0.0009","90","","90","","90","","1932.68","0.12","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 B N O2 -","- C21 H30 B N O2 -","- C84 H120 B4 N4 O8 -","4","1","","Zhang, Pinglu; Tsuji, Nobuya; Ouyang, Jie; List, Benjamin","Strong and Confined Acids Catalyze Asymmetric Intramolecular Hydroarylations of Unactivated Olefins with Indoles.","Journal of the American Chemical Society","2021","143","2","675","680","10.1021/jacs.0c12042","","","","","","","","","","","","","","","","","","","","","has coordinates","276363","2022-06-28","17:41:05",""
"4135561","14.3036","0.0007","23.2545","0.0012","28.5467","0.0015","90","","90","","90","","9495.3","0.8","","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C110 H61 Cl4 F14 N3 O8 P2 S2 -","- C110 H61 Cl4 F14 N3 O8 P2 S2 -","- C440 H244 Cl16 F56 N12 O32 P8 S8 -","4","1","","Zhang, Pinglu; Tsuji, Nobuya; Ouyang, Jie; List, Benjamin","Strong and Confined Acids Catalyze Asymmetric Intramolecular Hydroarylations of Unactivated Olefins with Indoles.","Journal of the American Chemical Society","2021","143","2","675","680","10.1021/jacs.0c12042","","","","","","","","","","","","","","","","","","","","","has coordinates","276363","2022-06-28","17:41:05",""
"4135562","12.0656","0.0005","21.6889","0.0009","14.4031","0.0006","90","","102.949","0.002","90","","3673.3","0.3","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44.83 H29.67 Cl2.67 N3 Ni O -","- C44.8333 H29.6666 Cl2.6666 N3 Ni O -","- C179.333 H118.666 Cl10.6664 N12 Ni4 O4 -","4","1","","Kim, Haesol; Shin, Dongyup; Yang, Woojin; Won, Da Hye; Oh, Hyung-Suk; Chung, Min Wook; Jeong, Donghyuk; Kim, Sun Hee; Chae, Keun Hwa; Ryu, Ji Yeon; Lee, Junseong; Cho, Sung June; Seo, Jiwon; Kim, Hyungjun; Choi, Chang Hyuck","Identification of Single-Atom Ni Site Active toward Electrochemical CO<sub>2</sub> Conversion to CO.","Journal of the American Chemical Society","2021","143","2","925","933","10.1021/jacs.0c11008","","","0.71073","MoKα","","0.0904","0.07","","","0.1557","0.1653","","","","","","1.129","","","","has coordinates,has disorder","261441","2021-02-04","00:31:49",""
"4135563","8.1694","0.0003","16.0398","0.0004","17.6507","0.0005","90","","90","","90","","2312.87","0.12","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Br N5 O5 -","- C25 H24 Br N5 O5 -","- C100 H96 Br4 N20 O20 -","4","1","","Chen, Xiangyang; Thøgersen, Mathias Kirk; Yang, Limin; Lauridsen, Rune F.; Xue, Xiao-Song; Jørgensen, Karl Anker; Houk, K. N.","[8+2] vs [4+2] Cycloadditions of Cyclohexadienamines to Tropone and Heptafulvenes-Mechanisms and Selectivities.","Journal of the American Chemical Society","2021","143","2","934","944","10.1021/jacs.0c10966","","x-ray","0.71073","MoKα","","0.0518","0.0405","","","0.0906","0.0977","","","","","","1.022","","","","has coordinates","261442","2021-02-04","00:32:17",""
"4135564","17.0162","0.0009","9.7018","0.0005","19.8137","0.001","90","","104.895","0.001","90","","3161.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 F12 N2 O3 W -","- C30 H30 F12 N2 O3 W -","- C120 H120 F48 N8 O12 W4 -","4","1","","Jakhar, Vineet; Pal, Digvijayee; Ghiviriga, Ion; Abboud, Khalil A.; Lester, Daniel W.; Sumerlin, Brent S.; Veige, Adam S.","Tethered Tungsten-Alkylidenes for the Synthesis of Cyclic Polynorbornene via Ring Expansion Metathesis: Unprecedented Stereoselectivity and Trapping of Key Catalytic Intermediates.","Journal of the American Chemical Society","2021","143","2","1235","1246","10.1021/jacs.0c12248","","","0.71073","MoKα","","0.0613","0.054","","","0.1373","0.1423","","","","","","1.072","","","","has coordinates","261443","2021-02-04","00:32:46",""
"4135565","11.5516","0.0005","16.6083","0.0008","20.2825","0.0009","90","","95.7816","0.0009","90","","3871.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H63 N O4.5 W -","- C40 H53 N O4 W -","- C160 H212 N4 O16 W4 -","4","1","","Jakhar, Vineet; Pal, Digvijayee; Ghiviriga, Ion; Abboud, Khalil A.; Lester, Daniel W.; Sumerlin, Brent S.; Veige, Adam S.","Tethered Tungsten-Alkylidenes for the Synthesis of Cyclic Polynorbornene via Ring Expansion Metathesis: Unprecedented Stereoselectivity and Trapping of Key Catalytic Intermediates.","Journal of the American Chemical Society","2021","143","2","1235","1246","10.1021/jacs.0c12248","","","0.71073","MoKα","","0.0221","0.0159","","","0.0371","0.038","","","","","","1.052","","","","has coordinates","261444","2021-02-04","00:33:23",""
"4135566","10.3427","0.0004","33.5187","0.0013","11.3695","0.0004","90","","96.9729","0.0007","90","","3912.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H58 N O4 W -","- C45 H58 N O4 W -","- C180 H232 N4 O16 W4 -","4","1","","Jakhar, Vineet; Pal, Digvijayee; Ghiviriga, Ion; Abboud, Khalil A.; Lester, Daniel W.; Sumerlin, Brent S.; Veige, Adam S.","Tethered Tungsten-Alkylidenes for the Synthesis of Cyclic Polynorbornene via Ring Expansion Metathesis: Unprecedented Stereoselectivity and Trapping of Key Catalytic Intermediates.","Journal of the American Chemical Society","2021","143","2","1235","1246","10.1021/jacs.0c12248","","","0.71073","MoKα","","0.031","0.0216","","","0.043","0.0499","","","","","","1.125","","","","has coordinates","261445","2021-02-04","00:33:56",""
"4135567","11.4548","0.0004","16.0612","0.0005","19.5973","0.0007","90","","94.0853","0.0006","90","","3596.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H53 N O4 W -","- C40 H53 N O4 W -","- C160 H212 N4 O16 W4 -","4","1","","Jakhar, Vineet; Pal, Digvijayee; Ghiviriga, Ion; Abboud, Khalil A.; Lester, Daniel W.; Sumerlin, Brent S.; Veige, Adam S.","Tethered Tungsten-Alkylidenes for the Synthesis of Cyclic Polynorbornene via Ring Expansion Metathesis: Unprecedented Stereoselectivity and Trapping of Key Catalytic Intermediates.","Journal of the American Chemical Society","2021","143","2","1235","1246","10.1021/jacs.0c12248","","","0.71073","MoKα","","0.014","0.0121","","","0.031","0.0315","","","","","","1.034","","","","has coordinates","261446","2021-02-04","00:34:22",""
"4135568","10.1087","0.0006","23.8033","0.0015","28.0735","0.0019","110.006","0.001","93.785","0.001","97.439","0.001","6249.7","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C138.5 H173 N3 O14.5 W3 -","- C138.5 H173 N3 O14.5 W3 -","- C277 H346 N6 O29 W6 -","2","1","","Jakhar, Vineet; Pal, Digvijayee; Ghiviriga, Ion; Abboud, Khalil A.; Lester, Daniel W.; Sumerlin, Brent S.; Veige, Adam S.","Tethered Tungsten-Alkylidenes for the Synthesis of Cyclic Polynorbornene via Ring Expansion Metathesis: Unprecedented Stereoselectivity and Trapping of Key Catalytic Intermediates.","Journal of the American Chemical Society","2021","143","2","1235","1246","10.1021/jacs.0c12248","","","0.71073","MoKα","","0.1341","0.0455","","","0.065","0.077","","","","","","0.812","","","","has coordinates,has disorder","261447","2021-02-04","00:34:51",""
"4135569","19.4096","0.0016","19.4096","0.0016","19.5602","0.0019","90","","90","","90","","7369","1.1","150","2","149.67","","","","","","","","","4","I -4","I -4","82","","","","- C34 H60 N2 O6.5 -","- C34 H60 N2 O6.5 -","- C272 H480 N16 O52 -","8","1","","Xu, Maotong; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Lithium Dicyclohexylamide in Transition-Metal-Free Fischer-Tropsch Chemistry.","Journal of the American Chemical Society","2021","143","2","634","638","10.1021/jacs.0c11482","","","0.71073","MoKα","","0.1764","0.0839","","","0.1921","0.2396","","","","","","0.977","","","","has coordinates,has disorder","261448","2021-02-04","00:36:00",""
"4135570","7.918","0.006","9.651","0.006","17.999","0.013","80.371","0.018","87.27","0.03","67.96","0.03","1256.8","1.6","150","2","149.9","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 N2 O2 -","- C27 H46 N2 O3 -","- C54 H92 N4 O6 -","2","1","","Xu, Maotong; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Lithium Dicyclohexylamide in Transition-Metal-Free Fischer-Tropsch Chemistry.","Journal of the American Chemical Society","2021","143","2","634","638","10.1021/jacs.0c11482","","","0.71073","MoKα","","0.1077","0.0609","","","0.1487","0.1714","","","","","","0.98","","","","has coordinates","261449","2021-02-04","00:36:31",""
"4135571","10.3158","0.0011","10.9502","0.0011","13.2446","0.0015","112.478","0.005","91.182","0.006","115.343","0.005","1218.6","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H46 N2 O2 -","- C26 H46 N2 O2 -","- C52 H92 N4 O4 -","2","1","","Xu, Maotong; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Lithium Dicyclohexylamide in Transition-Metal-Free Fischer-Tropsch Chemistry.","Journal of the American Chemical Society","2021","143","2","634","638","10.1021/jacs.0c11482","","","0.71073","MoKα","","0.0614","0.0452","","","0.1146","0.125","","","","","","1.0313","","","","has coordinates","261450","2021-02-04","00:37:02",""
"4135572","23.3169","0.0015","27.5437","0.001","27.5621","0.0019","104.102","0.004","106.303","0.006","107.895","0.005","15076.1","1.9","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C276 H224 F60 Ir2 N32 O4 P10 Zn4 -","- C276 H224 F60 Ir2 N32 O4 P10 Zn4 -","- C552 H448 F120 Ir4 N64 O8 P20 Zn8 -","2","2","","August, David P.; Jaramillo-Garcia, Javier; Leigh, David A.; Valero, Alberto; Vitorica-Yrezabal, Iñigo J","A Chiral Cyclometalated Iridium Star of David [2]Catenane.","Journal of the American Chemical Society","2021","143","2","1154","1161","10.1021/jacs.0c12038","","x-ray","0.6889","synchrotron","","0.2053","0.14","","","0.324","0.3499","","","","","","1.759","","","","has coordinates","261451","2021-02-04","00:37:34",""
"4135573","23.1012","0.0015","27.4445","0.0015","27.498","0.0014","104.285","0.005","106.658","0.005","107.91","0.005","14781.4","1.8","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C276 H224 F60 Ir2 N32 O4 P10 Zn4 -","- C276 H224 F60 Ir2 N32 O4 P10 Zn4 -","- C552 H448 F120 Ir4 N64 O8 P20 Zn8 -","2","2","","August, David P.; Jaramillo-Garcia, Javier; Leigh, David A.; Valero, Alberto; Vitorica-Yrezabal, Iñigo J","A Chiral Cyclometalated Iridium Star of David [2]Catenane.","Journal of the American Chemical Society","2021","143","2","1154","1161","10.1021/jacs.0c12038","","x-ray","0.6889","synchrotron","","0.1994","0.1498","","","0.3489","0.3738","","","","","","2.19","","","","has coordinates","261452","2021-02-04","00:38:09",""
"4135574","9.4303","0.0007","15.891","0.0011","16.744","0.0012","90","","90","","90","","2509.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H13 Br O S -","- C13 H13 Br O S -","- C104 H104 Br8 O8 S8 -","8","1","","Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas","Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement.","Journal of the American Chemical Society","2021","143","2","1216","1223","10.1021/jacs.0c12194","","","0.71073","MoKα","","0.0271","0.0223","","","0.0557","0.0579","","","","","","1.062","","","","has coordinates","261453","2021-02-04","00:39:29",""
"4135575","10.25","0.0007","15.3411","0.001","8.6672","0.0005","90","","90.251","0.002","90","","1362.87","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cl O S -","- C15 H15 Cl O S -","- C60 H60 Cl4 O4 S4 -","4","1","","Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas","Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement.","Journal of the American Chemical Society","2021","143","2","1216","1223","10.1021/jacs.0c12194","","","0.71073","MoKα","","0.0391","0.0357","","","0.0838","0.0857","","","","","","1.177","","","","has coordinates","261453","2021-02-04","00:39:32",""
"4135576","9.1402","0.0004","15.4595","0.0007","19.9824","0.0009","108.465","0.001","102.614","0.001","98.584","0.001","2539.8","0.2","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H18 O2 S -","- C12 H18 O2 S -","- C96 H144 O16 S8 -","8","4","","Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas","Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement.","Journal of the American Chemical Society","2021","143","2","1216","1223","10.1021/jacs.0c12194","","","0.71073","MoKα","","0.0787","0.0522","","","0.1109","0.1201","","","","","","1.037","","","","has coordinates","261453","2021-02-04","00:39:43",""
"4135577","10.0613","0.0011","10.9059","0.0013","20.821","0.002","93.349","0.004","90.495","0.003","109.075","0.003","2154.6","0.4","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 O3 S2 -","- C25 H21.1 O3 S2 -","- C100 H84.4 O12 S8 -","4","2","","Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas","Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement.","Journal of the American Chemical Society","2021","143","2","1216","1223","10.1021/jacs.0c12194","","","0.71073","MoKα","","0.0791","0.0709","","","0.182","0.1862","","","","","","1.122","","","","has coordinates,has disorder","261453","2021-02-04","00:39:43",""
"4135578","7.83","0.0003","15.4081","0.0006","17.9103","0.0007","90","","92.518","0.001","90","","2158.71","0.15","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 O2 S2 -","- C26 H24 O2 S2 -","- C104 H96 O8 S8 -","4","1","","Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas","Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement.","Journal of the American Chemical Society","2021","143","2","1216","1223","10.1021/jacs.0c12194","","","0.71073","MoKα","","0.0323","0.0297","","","0.0725","0.0739","","","","","","1.032","","","","has coordinates,has disorder","261453","2021-02-04","00:39:43",""
"4135579","9.2612","0.0004","19.9966","0.0009","9.1061","0.0004","90","","90","","90","","1686.38","0.13","183","2","183","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H19 N O4 S -","- C17 H19 N O4 S -","- C68 H76 N4 O16 S4 -","4","1","","Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas","Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement.","Journal of the American Chemical Society","2021","143","2","1216","1223","10.1021/jacs.0c12194","","","0.71073","MoKα","","0.0306","0.0289","","","0.0834","0.0844","","","","","","1.175","","","","has coordinates","261453","2021-02-04","00:39:43",""
"4135580","16.072","0.0005","28.0305","0.001","8.296","0.002","90","","90","","90","","3737.4","0.9","135","2","135","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H24 I2 O6 Zn -","- C12 H24 I2 O6 Zn -","- C96 H192 I16 O48 Zn8 -","8","1","","Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus","18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.","Journal of the American Chemical Society","2021","143","2","798","804","10.1021/jacs.0c09454","","","0.71073","MoKα","","0.0709","0.0484","","","0.1167","0.1241","","","","","","1.03","","","","has coordinates,has disorder","261454","2021-02-04","00:40:42",""
"4135581","12.996","0.003","10.864","0.002","8.0507","0.0016","90","","119.99","0.03","90","","984.5","0.5","213","2","213","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H24 I2 O6 Sr -","- C12 I2 O6 Sr -","- C24 I4 O12 Sr2 -","2","0.25","","Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus","18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.","Journal of the American Chemical Society","2021","143","2","798","804","10.1021/jacs.0c09454","","","0.71073","MoKα","","0.0635","0.0266","","","0.0365","0.0393","","","","","","0.641","","","","has coordinates,has disorder","261455","2021-02-04","00:41:17",""
"4135582","16.67","0.003","10.642","0.002","25.798","0.008","90","","124.63","0.02","90","","3765.8","1.8","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 Cl6 Mn3 O12 -","- C24 H48 Cl6 Mn3 O12 -","- C96 H192 Cl24 Mn12 O48 -","4","1","","Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus","18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.","Journal of the American Chemical Society","2021","143","2","798","804","10.1021/jacs.0c09454","","","0.71073","MoKα","","0.1012","0.0556","","","0.1551","0.1683","","","","","","0.826","","","","has coordinates","261456","2021-02-04","00:41:55",""
"4135583","10.871","0.002","12.01","0.002","28.514","0.006","90","","94.37","0.03","90","","3712","1.2","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 I2 Mn O6 -","- C12 H24 I2 Mn O6 -","- C96 H192 I16 Mn8 O48 -","8","1","","Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus","18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.","Journal of the American Chemical Society","2021","143","2","798","804","10.1021/jacs.0c09454","","","0.71073","MoKα","","0.0339","0.0242","","","0.0529","0.0554","","","","","","0.924","","","","has coordinates","261457","2021-02-04","00:42:38",""
"4135584","11.5448","0.0016","11.5448","0.0016","11.934","0.002","90","","90","","120","","1377.5","0.4","200","2","200","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C12 H24 Br2 O6 Zn -","- C12 H24 Br2 O6 Zn0.9999 -","- C36 H72 Br6 O18 Zn2.9997 -","3","0.333333","","Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus","18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.","Journal of the American Chemical Society","2021","143","2","798","804","10.1021/jacs.0c09454","","","0.71073","MoKα","","0.0574","0.0308","","","0.0468","0.0527","","","","","","1.01","","","","has coordinates","261458","2021-02-04","00:43:15",""
"4135585","12.962","0.003","10.883","0.002","8.0284","0.0016","90","","120.34","0.03","90","","977.4","0.5","200","2","200","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H24 Eu I2 O6 -","- C12 Eu I2 O6 -","- C24 Eu2 I4 O12 -","2","0.25","","Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus","18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.","Journal of the American Chemical Society","2021","143","2","798","804","10.1021/jacs.0c09454","","","0.71073","MoKα","","0.094","0.0424","","","0.0803","0.0948","","","","","","0.978","","","","has coordinates","261459","2021-02-04","00:43:48",""
"4135586","11.9296","0.0017","11.9296","0.0017","11.925","0.002","90","","90","","120","","1469.7","0.4","213","2","213","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C12 H24 Br2 Eu O6 -","- C12 H24 Br2 Eu O6 -","- C36 H72 Br6 Eu3 O18 -","3","0.333333","","Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus","18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.","Journal of the American Chemical Society","2021","143","2","798","804","10.1021/jacs.0c09454","","","0.71073","MoKα","","0.0393","0.0205","","","0.0323","0.0343","","","","","","0.791","","","","has coordinates","261460","2021-02-04","00:44:13",""
"4135587","17.102","0.003","11.252","0.002","22.748","0.005","90","","91.87","0.03","90","","4375.1","1.5","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 I6 Mn3 O12 -","- C24 H48 I6 Mn3 O12 -","- C96 H192 I24 Mn12 O48 -","4","1","","Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus","18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.","Journal of the American Chemical Society","2021","143","2","798","804","10.1021/jacs.0c09454","","","0.71073","MoKα","","0.0685","0.0305","","","0.0622","0.0695","","","","","","0.761","","","","has coordinates","261461","2021-02-04","00:44:39",""
"4135588","11.489","0.002","13.075","0.003","16.437","0.003","90","","90","","90","","2469.1","0.8","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H24 I4 Mn2 O6 -","- C12 H24 I4 Mn2 O6 -","- C48 H96 I16 Mn8 O24 -","4","1","","Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus","18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.","Journal of the American Chemical Society","2021","143","2","798","804","10.1021/jacs.0c09454","","","0.71073","MoKα","","0.0823","0.0306","","","0.0614","0.067","","","","","","0.686","","","","has coordinates","261462","2021-02-04","00:45:03",""
"4135589","6.0541","0.0001","14.1336","0.0003","21.0131","0.0003","90","","90","","90","","1798.01","0.05","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C68 H112 O16 Si4 -","- C68 H112 O16 Si4 -","- C68 H112 O16 Si4 -","1","0.25","","Tomanik, Martin; Xu, Zhi; Herzon, Seth B.","Enantioselective Synthesis of Euonyminol.","Journal of the American Chemical Society","2021","143","2","699","704","10.1021/jacs.0c12998","","","1.54184","CuKα","","0.0336","0.0298","","","0.0694","0.0711","","","","","","1.04","","","","has coordinates","261463","2021-02-04","00:45:43",""
"4135590","10.13664","0.00018","12.97562","0.00019","19.3014","0.0003","90","","90","","90","","2538.7","0.07","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 O10 Si -","- C23 H33 O10 Si -","- C92 H132 O40 Si4 -","4","1","","Tomanik, Martin; Xu, Zhi; Herzon, Seth B.","Enantioselective Synthesis of Euonyminol.","Journal of the American Chemical Society","2021","143","2","699","704","10.1021/jacs.0c12998","","","1.54184","CuKα","","0.0285","0.0278","","","0.0745","0.0751","","","","","","1.037","","","","has coordinates","261464","2021-02-04","00:46:06",""
"4135591","9.1922","0.0001","11.2207","0.0001","11.7369","0.0001","90","","100.28","0.001","90","","1191.15","0.02","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H33 O8 Si -","- C23 H33 O8 Si -","- C46 H66 O16 Si2 -","2","1","","Tomanik, Martin; Xu, Zhi; Herzon, Seth B.","Enantioselective Synthesis of Euonyminol.","Journal of the American Chemical Society","2021","143","2","699","704","10.1021/jacs.0c12998","","","1.54184","CuKα","","0.0304","0.0294","","","0.081","0.0818","","","","","","1.084","","","","has coordinates","261465","2021-02-04","00:46:30",""
"4135592","10.7097","0.0003","9.3455","0.0003","14.909","0.0004","90","","90.187","0.002","90","","1492.2","0.08","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H48 O11 Si -","- C28 H48 O11 Si -","- C56 H96 O22 Si2 -","2","1","","Tomanik, Martin; Xu, Zhi; Herzon, Seth B.","Enantioselective Synthesis of Euonyminol.","Journal of the American Chemical Society","2021","143","2","699","704","10.1021/jacs.0c12998","","","1.54184","CuKα","","0.0493","0.0429","","","0.1067","0.1108","","","","","","1.062","","","","has coordinates","261466","2021-02-04","00:46:54",""
"4135593","11.95","0.0001","16.7458","0.0001","31.7086","0.0002","90","","90","","90","","6345.28","0.08","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O11 Si -","- C30 H50 O11 Si -","- C240 H400 O88 Si8 -","8","2","","Tomanik, Martin; Xu, Zhi; Herzon, Seth B.","Enantioselective Synthesis of Euonyminol.","Journal of the American Chemical Society","2021","143","2","699","704","10.1021/jacs.0c12998","","","1.54184","CuKα","","0.0355","0.0329","","","0.0859","0.0878","","","","","","1.014","","","","has coordinates","261467","2021-02-04","00:47:26",""
"4135594","12.902","0.001","18.4951","0.0014","19.1223","0.0013","90","","90","","90","","4563","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H51 F6 Fe N10 P -","- C45 H51 F6 Fe N10 P -","- C180 H204 F24 Fe4 N40 P4 -","4","1","","Keilwerth, Martin; Grunwald, Liam; Mao, Weiqing; Heinemann, Frank W.; Sutter, Jörg; Bill, Eckhard; Meyer, Karsten","Ligand Tailoring Toward an Air-Stable Iron(V) Nitrido Complex.","Journal of the American Chemical Society","2021","143","3","1458","1465","10.1021/jacs.0c11141","","","0.71073","MoKα","","0.0614","0.0429","","","0.0818","0.088","","","","","","1.037","","","","has coordinates,has disorder","261468","2021-02-04","00:49:21",""
"4135595","46.429","0.002","16.3087","0.0007","23.2775","0.0013","90","","93.67","0.002","90","","17589.5","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44.56 H50.56 F6 Fe N8 P -","- C44.559 H50.559 F6 Fe N8 P -","- C712.944 H808.944 F96 Fe16 N128 P16 -","16","2","","Keilwerth, Martin; Grunwald, Liam; Mao, Weiqing; Heinemann, Frank W.; Sutter, Jörg; Bill, Eckhard; Meyer, Karsten","Ligand Tailoring Toward an Air-Stable Iron(V) Nitrido Complex.","Journal of the American Chemical Society","2021","143","3","1458","1465","10.1021/jacs.0c11141","","","0.71073","MoKα","","0.1082","0.0652","","","0.1402","0.1572","","","","","","1.056","","","","has coordinates,has disorder","261468","2021-02-04","00:49:22",""
"4135596","17.0881","0.0011","16.569","0.0011","15.2548","0.001","90","","94.725","0.003","90","","4304.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45 F12 Fe N8 P2 -","- C39 H45 F12 Fe N8 P2 -","- C156 H180 F48 Fe4 N32 P8 -","4","1","","Keilwerth, Martin; Grunwald, Liam; Mao, Weiqing; Heinemann, Frank W.; Sutter, Jörg; Bill, Eckhard; Meyer, Karsten","Ligand Tailoring Toward an Air-Stable Iron(V) Nitrido Complex.","Journal of the American Chemical Society","2021","143","3","1458","1465","10.1021/jacs.0c11141","","","0.71073","MoKα","","0.0378","0.0304","","","0.076","0.0808","","","","","","1.056","","","","has coordinates","261468","2021-02-04","00:49:22",""
"4135597","17.57","0.002","18.196","0.001","47.439","0.009","90","","98.598","0.01","90","","14996","3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C167 H184.5 B4 F4 Fe2 N19.5 O -","- C167 H184.5 B4 F4 Fe2 N19.5 O -","- C668 H738 B16 F16 Fe8 N78 O4 -","4","1","","Keilwerth, Martin; Grunwald, Liam; Mao, Weiqing; Heinemann, Frank W.; Sutter, Jörg; Bill, Eckhard; Meyer, Karsten","Ligand Tailoring Toward an Air-Stable Iron(V) Nitrido Complex.","Journal of the American Chemical Society","2021","143","3","1458","1465","10.1021/jacs.0c11141","","","0.71073","MoKα","","0.1504","0.0735","","","0.1683","0.2024","","","","","","1.014","","","","has coordinates,has disorder","261468","2021-02-04","00:49:22",""
"4135598","8.035","0.003","19.954","0.007","20.955","0.008","107.477","0.008","90.378","0.006","98.013","0.008","3169","2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H36 O4 Si -","- C40 H36 O4 Si -","- C160 H144 O16 Si4 -","4","2","","Tsuda, Tomohiro; Choi, Seung-Min; Shintani, Ryo","Palladium-Catalyzed Synthesis of Dibenzosilepin Derivatives via 1,<i>n</i>-Palladium Migration Coupled with <i>anti</i>-Carbopalladation of Alkyne.","Journal of the American Chemical Society","2021","143","3","1641","1650","10.1021/jacs.0c12453","","","0.71075","MoKα","","0.2454","0.0877","","","0.1836","0.2418","","","","","","0.954","","","","has coordinates","261469","2021-02-04","00:50:39",""
"4135599","10.5521","0.0008","24.7884","0.0016","16.8422","0.0013","90","","107.729","0.0015","90","","4196.2","0.5","113","2","113","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H26 Si -","- C27 H26 Si -","- C216 H208 Si8 -","8","2","","Tsuda, Tomohiro; Choi, Seung-Min; Shintani, Ryo","Palladium-Catalyzed Synthesis of Dibenzosilepin Derivatives via 1,<i>n</i>-Palladium Migration Coupled with <i>anti</i>-Carbopalladation of Alkyne.","Journal of the American Chemical Society","2021","143","3","1641","1650","10.1021/jacs.0c12453","","","0.71075","MoKα","","0.05","0.0369","","","0.0974","0.1025","","","","","","1.044","","","","has coordinates","261470","2021-02-04","00:51:17",""
"4135600","10.3171","0.0018","12.986","0.002","17.529","0.003","75.678","0.007","85.033","0.009","86.4309","0.001","2264.9","0.7","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 Si -","- C30 H26 Si -","- C120 H104 Si4 -","4","2","","Tsuda, Tomohiro; Choi, Seung-Min; Shintani, Ryo","Palladium-Catalyzed Synthesis of Dibenzosilepin Derivatives via 1,<i>n</i>-Palladium Migration Coupled with <i>anti</i>-Carbopalladation of Alkyne.","Journal of the American Chemical Society","2021","143","3","1641","1650","10.1021/jacs.0c12453","","","0.71075","MoKα","","0.0643","0.0472","","","0.1249","0.1311","","","","","","0.972","","","","has coordinates","261472","2021-02-04","00:51:42",""
"4135601","9.5532","0.0003","6.3625","0.0002","16.3333","0.0005","90","","90","","90","","992.77","0.05","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-nitro-semicarbazid","4-nitro-semicarbazid","","- C H6 N4 O4 -","- C H6 N4 O4 -","- C8 H48 N32 O32 -","8","1","","Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg","Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family.","Journal of the American Chemical Society","2021","143","3","1323","1327","10.1021/jacs.0c12507","","x-ray","0.71073","MoKα","","0.0333","0.0281","","","0.0707","0.0752","","","","","","1.058","","","","has coordinates","261473","2021-02-04","00:53:16",""
"4135602","11.9484","0.0009","3.6295","0.0002","14.0899","0.001","90","","105.13","0.008","90","","589.85","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sodium nitrocarbamoylazide monohydrate","sodium nitrocarbamoylazide monohydrate","","- C H2 N5 Na O4 -","- C H2 N5 Na O4 -","- C4 H8 N20 Na4 O16 -","4","1","","Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg","Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family.","Journal of the American Chemical Society","2021","143","3","1323","1327","10.1021/jacs.0c12507","","x-ray","0.71073","MoKα","","0.0392","0.0297","","","0.0685","0.0761","","","","","","1.081","","","","has coordinates","261473","2021-02-04","00:53:16",""
"4135603","6.8957","0.0004","11.5328","0.0005","7.0382","0.0003","90","","97.155","0.005","90","","555.37","0.05","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","potassium nitro-carbamoyl-azide","potassium nitro-carbamoyl-azide","","- C K N5 O3 -","- C K N5 O3 -","- C4 K4 N20 O12 -","4","1","","Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg","Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family.","Journal of the American Chemical Society","2021","143","3","1323","1327","10.1021/jacs.0c12507","","x-ray","0.71069","MoKα","","0.0312","0.0255","","","0.0593","0.0623","","","","","","1.064","","","","has coordinates","261473","2021-02-04","00:53:16",""
"4135604","7.4975","0.0009","15.4884","0.0016","6.6145","0.0008","90","","94.328","0.009","90","","765.91","0.15","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","guanidinium nitro-carbonyl-azide","guanidinium nitro-carbonyl-azide","","- C2 H6 N8 O3 -","- C2 H6 N8 O3 -","- C8 H24 N32 O12 -","4","1","","Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg","Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family.","Journal of the American Chemical Society","2021","143","3","1323","1327","10.1021/jacs.0c12507","","x-ray","0.71073","MoKα","","0.0557","0.0379","","","0.0839","0.0923","","","","","","1.042","","","","has coordinates","261473","2021-02-04","00:53:17",""
"4135605","6.6353","0.0003","6.8575","0.0004","7.0924","0.0005","67.848","0.006","72.382","0.005","80.022","0.005","284.24","0.03","112","2","112","2","","","","","","","","4","P -1","-P 1","2","ammonium nitraminocarbonyl azide","ammonium nitraminocarbonyl azide","","- C H4 N6 O3 -","- C H4 N6 O3 -","- C2 H8 N12 O6 -","2","1","","Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg","Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family.","Journal of the American Chemical Society","2021","143","3","1323","1327","10.1021/jacs.0c12507","","x-ray","0.71073","MoKα","","0.0373","0.0299","","","0.0771","0.0808","","","","","","1.078","","","","has coordinates","261473","2021-02-04","00:53:17",""
"4135606","14.498","0.003","44.396","0.012","3.6494","0.0009","90","","90","","90","","2348.9","1","105","2","105","2","","","","","","","","4","F d d 2","F 2 -2d","43","hydroxylammonium nitrocarbamoylazide","hydroxylammonium nitraminocarbonylazide","","- C H4 N6 O4 -","- C H4 N6 O4 -","- C16 H64 N96 O64 -","16","1","","Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg","Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family.","Journal of the American Chemical Society","2021","143","3","1323","1327","10.1021/jacs.0c12507","","x-ray","0.71073","MoKα","","0.0671","0.0549","","","0.1177","0.1274","","","","","","0.977","","","","has coordinates","261473","2021-02-04","00:53:17",""
"4135607","6.1997","0.0009","10.2689","0.0013","8.2547","0.0011","90","","109.477","0.005","90","","495.45","0.12","107","2","107","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nitramino-carbonyl-azide","azido-nitramino-carbonyl","","- C H N5 O3 -","- C H N5 O3 -","- C4 H4 N20 O12 -","4","1","","Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg","Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family.","Journal of the American Chemical Society","2021","143","3","1323","1327","10.1021/jacs.0c12507","","","0.71073","MoKα","","0.0341","0.029","","","0.0776","0.0822","","","","","","1.117","","","","has coordinates","261473","2021-02-04","00:53:17",""
"4135608","7.6411","0.001","7.7969","0.0011","8.3332","0.0013","99.142","0.012","90.045","0.012","103.622","0.012","475.99","0.12","110","2","110","2","","","","","","","","4","P -1","-P 1","2","methyl nitrocarbamate","methyl nitrocarbamate","","- C2 H4 N2 O4 -","- C2 H4 N2 O4 -","- C8 H16 N8 O16 -","4","2","","Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg","Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family.","Journal of the American Chemical Society","2021","143","3","1323","1327","10.1021/jacs.0c12507","","x-ray","0.71073","MoKα","","0.0667","0.0489","","","0.1332","0.1484","","","","","","1.045","","","","has coordinates","261473","2021-02-04","00:53:17",""
"4135609","24.689","0.002","9.342","0.002","27.653","0.003","90","","98.07","0.02","90","","6314.9","1.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C51 H82 Bi F9 Li2 N2 O11 S3 -","- C51 H82 Bi F9 Li2 N2 O11 S3 -","- C204 H328 Bi4 F36 Li8 N8 O44 S12 -","4","1","","Siddiqui, Mujahuddin M.; Sarkar, Samir Kumar; Nazish, Mohd; Morganti, Massimiliano; Köhler, Christian; Cai, Jiali; Zhao, Lili; Herbst-Irmer, Regine; Stalke, Dietmar; Frenking, Gernot; Roesky, Herbert W.","Donor-Stabilized Antimony(I) and Bismuth(I) Ions: Heavier Valence Isoelectronic Analogues of Carbones.","Journal of the American Chemical Society","2021","143","3","1301","1306","10.1021/jacs.0c12084","","","0.71073","MoKα","","0.037","0.0253","","","0.048","0.0512","","","","","","1.015","","","","has coordinates,has disorder","261474","2021-02-04","00:54:16",""
"4135610","9.189","0.002","15.33","0.002","32.284","0.004","90","","92.02","0.02","90","","4544.9","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H66 F3 N2 O3 S Sb -","- C44.5 H66 F3 N2 O3 S Sb -","- C178 H264 F12 N8 O12 S4 Sb4 -","4","1","","Siddiqui, Mujahuddin M.; Sarkar, Samir Kumar; Nazish, Mohd; Morganti, Massimiliano; Köhler, Christian; Cai, Jiali; Zhao, Lili; Herbst-Irmer, Regine; Stalke, Dietmar; Frenking, Gernot; Roesky, Herbert W.","Donor-Stabilized Antimony(I) and Bismuth(I) Ions: Heavier Valence Isoelectronic Analogues of Carbones.","Journal of the American Chemical Society","2021","143","3","1301","1306","10.1021/jacs.0c12084","","","0.71073","MoKα","","0.0373","0.0274","","","0.0598","0.0646","","","","","","1.021","","","","has coordinates,has disorder","261475","2021-02-04","00:54:44",""
"4135611","29.89","0.004","18.583","0.004","18.248","0.003","90","","94.665","0.004","90","","10102","3","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 Cl3 Cr N2 O -","- C36 H56 Cl3 Cr N2 O -","- C288 H448 Cl24 Cr8 N16 O8 -","8","1","","Zhao, Lixing; Hu, Chenyang; Cong, Xuefeng; Deng, Gongda; Liu, Liu Leo; Luo, Meiming; Zeng, Xiaoming","Cyclic (Alkyl)(amino)carbene Ligand-Promoted Nitro Deoxygenative Hydroboration with Chromium Catalysis: Scope, Mechanism, and Applications.","Journal of the American Chemical Society","2021","143","3","1618","1629","10.1021/jacs.0c12318","","","0.71073","MoKα","","0.0601","0.0443","","","0.1281","0.1385","","","","","","1.043","","","","has coordinates","261476","2021-02-04","00:55:10",""
"4135612","10.162","0.006","10.528","0.006","10.914","0.005","64.682","0.009","89.99","0.02","89.904","0.016","1055.5","1","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H52 Ir2 N4 O14 S2 -","- C38 H52 Ir2 N4 O14 S2 -","- C38 H52 Ir2 N4 O14 S2 -","1","0.5","","Kanega, Ryoichi; Onishi, Naoya; Tanaka, Shinji; Kishimoto, Haruo; Himeda, Yuichiro","Catalytic Hydrogenation of CO<sub>2</sub> to Methanol Using Multinuclear Iridium Complexes in a Gas-Solid Phase Reaction.","Journal of the American Chemical Society","2021","143","3","1570","1576","10.1021/jacs.0c11927","","","0.71075","MoKα","","0.0379","0.0362","","","0.0828","0.0834","","","","","","1.045","","","","has coordinates","261477","2021-02-04","00:55:43",""
"4135613","9.835","0.003","16.634","0.005","23.5","0.008","90","","90","","90","","3844","2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H40 O20 P3 Y -","- C24 H18 O11.5 P3 Y -","- C96 H72 O46 P12 Y4 -","4","1","","Vilela, Sérgio M F; Navarro, Jorge A. R.; Barbosa, Paula; Mendes, Ricardo F.; Pérez-Sánchez, Germán; Nowell, Harriott; Ananias, Duarte; Figueiredo, Filipe; Gomes, José R B; Tomé, João P C; Paz, Filipe A Almeida","Multifunctionality in an Ion-Exchanged Porous Metal-Organic Framework.","Journal of the American Chemical Society","2021","143","3","1365","1376","10.1021/jacs.0c10421","","","0.6889","synchrotron","","0.2143","0.1168","","","0.2742","0.3244","","","","","","0.985","","","","has coordinates","261478","2021-02-04","00:56:30",""
"4135614","16.1261","0.0008","24.9525","0.0013","7.565","0.0004","90","","104.358","0.003","90","","2949","0.3","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H33 O12 P3 -","- C27 H33 O12 P3 -","- C108 H132 O48 P12 -","4","1","","Vilela, Sérgio M F; Navarro, Jorge A. R.; Barbosa, Paula; Mendes, Ricardo F.; Pérez-Sánchez, Germán; Nowell, Harriott; Ananias, Duarte; Figueiredo, Filipe; Gomes, José R B; Tomé, João P C; Paz, Filipe A Almeida","Multifunctionality in an Ion-Exchanged Porous Metal-Organic Framework.","Journal of the American Chemical Society","2021","143","3","1365","1376","10.1021/jacs.0c10421","","","0.71073","MoKα","","0.0509","0.0391","","","0.0796","0.085","","","","","","1.021","","","","has coordinates","261479","2021-02-04","00:56:54",""
"4135615","11.2203","0.001","14.5145","0.0013","23.22","0.002","90","","96.497","0.004","90","","3757.3","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 O10 P3 -","- C36 H45 O10 P3 -","- C144 H180 O40 P12 -","4","1","","Vilela, Sérgio M F; Navarro, Jorge A. R.; Barbosa, Paula; Mendes, Ricardo F.; Pérez-Sánchez, Germán; Nowell, Harriott; Ananias, Duarte; Figueiredo, Filipe; Gomes, José R B; Tomé, João P C; Paz, Filipe A Almeida","Multifunctionality in an Ion-Exchanged Porous Metal-Organic Framework.","Journal of the American Chemical Society","2021","143","3","1365","1376","10.1021/jacs.0c10421","","","0.71073","MoKα","","0.1015","0.0797","","","0.2251","0.248","","","","","","1.028","","","","has coordinates","261480","2021-02-04","00:57:22",""
"4135616","12.182","","17.093","","21.861","","68.21","","89.91","","73.2","","4017.69","","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C176 H172 O48 -","- C176 H170 O52 -","- C176 H170 O52 -","1","0.5","","Mi, Yan; Ma, Jingyu; Liang, Wenting; Xiao, Chao; Wu, Wanhua; Zhou, Dayang; Yao, Jiabin; Sun, Wenjia; Sun, Junliang; Gao, Guowei; Chen, Xiaochuan; Chruma, Jason J.; Yang, Cheng","Guest-Binding-Induced Interhetero Hosts Charge Transfer Crystallization: Selective Coloration of Commonly Used Organic Solvents.","Journal of the American Chemical Society","2021","143","3","1553","1561","10.1021/jacs.0c11833","","","0.71073","MoKα","","0.0997","0.0731","","","0.2179","0.24","","","","","","1.056","","","","has coordinates","261481","2021-02-04","00:58:16",""
"4135617","12.0109","0.0003","16.9861","0.0004","21.9656","0.0004","83.59","0.002","75.478","0.002","70.196","0.002","4079.88","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C91 H0.5 O29 -","- C90 H87 O30 -","- C180 H174 O60 -","2","1","","Mi, Yan; Ma, Jingyu; Liang, Wenting; Xiao, Chao; Wu, Wanhua; Zhou, Dayang; Yao, Jiabin; Sun, Wenjia; Sun, Junliang; Gao, Guowei; Chen, Xiaochuan; Chruma, Jason J.; Yang, Cheng","Guest-Binding-Induced Interhetero Hosts Charge Transfer Crystallization: Selective Coloration of Commonly Used Organic Solvents.","Journal of the American Chemical Society","2021","143","3","1553","1561","10.1021/jacs.0c11833","","x-ray","1.54184","CuKα","","0.1271","0.116","","","0.3463","0.3547","","","","","","1.077","","","","has coordinates","261482","2021-02-04","00:58:45",""
"4135618","6.8633","0.0001","11.6049","0.0002","24.2941","0.0004","103.462","0.001","90.236","0.001","104.924","0.002","1814.1","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 N2 O6 S2 Si -","- C34 H36 N2 O6 S2 Si -","- C68 H72 N4 O12 S4 Si2 -","2","1","","Zhu, Guohao; Gao, Wen-Chao; Jiang, Xuefeng","Rh(I)-Catalyzed Carbene Migration/Carbonylation/Cyclization: Straightforward Construction of Fully Substituted Aryne Precursors.","Journal of the American Chemical Society","2021","143","3","1334","1340","10.1021/jacs.0c13012","","x-ray","1.54184","CuKα","","0.0365","0.0345","","","0.0883","0.0895","","","","","","1.05","","","","has coordinates","261483","2021-02-04","00:59:10",""
"4135619","12.3097","0.0001","14.4416","0.0001","13.6087","0.0001","90","","101.087","0.001","90","","2374.09","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 N O4 S Si -","- C25 H29 N O4 S Si -","- C100 H116 N4 O16 S4 Si4 -","4","1","","Zhu, Guohao; Gao, Wen-Chao; Jiang, Xuefeng","Rh(I)-Catalyzed Carbene Migration/Carbonylation/Cyclization: Straightforward Construction of Fully Substituted Aryne Precursors.","Journal of the American Chemical Society","2021","143","3","1334","1340","10.1021/jacs.0c13012","","x-ray","1.54184","CuKα","","0.0312","0.0309","","","0.0786","0.0788","","","","","","1.047","","","","has coordinates","261484","2021-02-04","00:59:33",""
"4135620","10.7433","0.0001","45.1666","0.0004","21.5283","0.0002","90","","101.322","0.001","90","","10243.1","0.17","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C126 H102 N6 O15 S3 -","- C126 H102 N6 O15 S3 -","- C504 H408 N24 O60 S12 -","4","1","","Zhu, Guohao; Gao, Wen-Chao; Jiang, Xuefeng","Rh(I)-Catalyzed Carbene Migration/Carbonylation/Cyclization: Straightforward Construction of Fully Substituted Aryne Precursors.","Journal of the American Chemical Society","2021","143","3","1334","1340","10.1021/jacs.0c13012","","x-ray","1.54184","CuKα","","0.0799","0.0765","","","0.177","0.1787","","","","","","1.183","","","","has coordinates","261485","2021-02-04","01:00:07",""
"4135621","20.0963","0.0018","14.6995","0.0014","8.0035","0.0007","90","","94.679","0.005","90","","2356.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N4 O2 S -","- C29 H22 N4 O2 S -","- C116 H88 N16 O8 S4 -","4","1","","Sedgwick, Adam C.; Yan, Kai-Cheng; Mangel, Daniel N.; Shang, Ying; Steinbrueck, Axel; Han, Hai-Hao; Brewster, 2nd, James T; Hu, Xi-Le; Snelson, Dylan W.; Lynch, Vincent M.; Tian, He; He, Xiao-Peng; Sessler, Jonathan L.","Deferasirox (ExJade): An FDA-Approved AIEgen Platform with Unique Photophysical Properties.","Journal of the American Chemical Society","2021","143","3","1278","1283","10.1021/jacs.0c11641","","","0.71073","MoKα","","0.0537","0.038","","","0.0938","0.1006","","","","","","1.034","","","","has coordinates","261486","2021-02-04","01:00:31",""
"4135622","8.071","0.002","9.968","0.003","10.206","0.003","101.062","0.006","97.362","0.006","100.442","0.007","781.1","0.4","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C40 H30 N6 O4 -","2","1","","Sedgwick, Adam C.; Yan, Kai-Cheng; Mangel, Daniel N.; Shang, Ying; Steinbrueck, Axel; Han, Hai-Hao; Brewster, 2nd, James T; Hu, Xi-Le; Snelson, Dylan W.; Lynch, Vincent M.; Tian, He; He, Xiao-Peng; Sessler, Jonathan L.","Deferasirox (ExJade): An FDA-Approved AIEgen Platform with Unique Photophysical Properties.","Journal of the American Chemical Society","2021","143","3","1278","1283","10.1021/jacs.0c11641","","","0.71073","MoKα","","0.0611","0.0425","","","0.1043","0.1111","","","","","","1.063","","","","has coordinates","261487","2021-02-04","01:00:53",""
"4135623","31.4363","0.0009","8.9581","0.0002","7.7402","0.0002","90","","90","","90","","2179.71","0.1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H18 N4 O2 S -","- C27 H18 N4 O2 S -","- C108 H72 N16 O8 S4 -","4","1","","Sedgwick, Adam C.; Yan, Kai-Cheng; Mangel, Daniel N.; Shang, Ying; Steinbrueck, Axel; Han, Hai-Hao; Brewster, 2nd, James T; Hu, Xi-Le; Snelson, Dylan W.; Lynch, Vincent M.; Tian, He; He, Xiao-Peng; Sessler, Jonathan L.","Deferasirox (ExJade): An FDA-Approved AIEgen Platform with Unique Photophysical Properties.","Journal of the American Chemical Society","2021","143","3","1278","1283","10.1021/jacs.0c11641","","","0.71073","MoKα","","0.0389","0.0347","","","0.0744","0.0761","","","","","","1.044","","","","has coordinates","261488","2021-02-04","01:01:16",""
"4135624","8.438","0.0007","16.7089","0.0013","25.36","0.002","90","","90","","90","","3575.5","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C176 H152 N24 O16 -","8","1","","Sedgwick, Adam C.; Yan, Kai-Cheng; Mangel, Daniel N.; Shang, Ying; Steinbrueck, Axel; Han, Hai-Hao; Brewster, 2nd, James T; Hu, Xi-Le; Snelson, Dylan W.; Lynch, Vincent M.; Tian, He; He, Xiao-Peng; Sessler, Jonathan L.","Deferasirox (ExJade): An FDA-Approved AIEgen Platform with Unique Photophysical Properties.","Journal of the American Chemical Society","2021","143","3","1278","1283","10.1021/jacs.0c11641","","","0.71073","MoKα","","0.0492","0.0382","","","0.0856","0.0899","","","","","","1.05","","","","has coordinates","261489","2021-02-04","01:01:40",""
"4135625","15.135","0.005","15.135","0.005","12.033","0.004","90","","90","","90","","2756.4","1.6","7","","7","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","MFM-300-V(III)_ND3loaded","- C8 H4 D1.46 N0.49 O5 V -","- C8 H3.9998 D1.463 N0.488 O5 V -","- C64 H31.9984 D11.704 N3.904 O40 V8 -","8","0.5","","Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding.","Journal of the American Chemical Society","2021","143","8","3153","3161","10.1021/jacs.0c11930","powder diffraction","","","neutron","","0.569812","","","","","","","","7.27032","","","","","","","has coordinates","262445","2021-03-04","02:53:42",""
"4135626","15.0246","0.0009","15.0246","0.0009","11.9519","0.0007","90","","90","","90","","2698","0.3","7","","7","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","MFM-300-V(IV)_empty","- C8 H3 O5 V -","- C8 H3 O5 V -","- C64 H24 O40 V8 -","8","0.5","","Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding.","Journal of the American Chemical Society","2021","143","8","3153","3161","10.1021/jacs.0c11930","powder diffraction","","","neutron","","0.480466","","","","","","","","6.52286","","","","","","","has coordinates","262445","2021-03-04","02:53:43",""
"4135627","15.1215","0.0016","15.1215","0.0016","12.0683","0.0013","90","","90","","90","","2759.5","0.5","7","","7","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","MFM-300-V(III)_empty","- C8 H4 O5 V -","- C8 H4 O5 V -","- C64 H32 O40 V8 -","8","0.5","","Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding.","Journal of the American Chemical Society","2021","143","8","3153","3161","10.1021/jacs.0c11930","powder diffraction","","","neutron","","0.801436","","","","","","","","6.18068","","","","","","","has coordinates","262445","2021-03-04","02:53:43",""
"4135628","15.5056","0.0002","15.5056","0.0002","12.339","0.0002","90","","90","","90","","2966.59","0.07","7","","7","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","MFM-300-In_empty","- C8 H4 In O5 -","- C8 H4 In O5 -","- C64 H32 In8 O40 -","8","0.5","","Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding.","Journal of the American Chemical Society","2021","143","8","3153","3161","10.1021/jacs.0c11930","powder diffraction","","","neutron","","1.26279","","","","","","","","3.24874","","","","","","","has coordinates","262445","2021-03-04","02:53:43",""
"4135629","15.102","0.002","15.102","0.002","11.9998","0.0015","90","","90","","90","","2736.8","0.6","7","","7","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","MFM-300-Fe_ND3loaded","- C8 H3 D5.04 Fe N2.23 O5 -","- C8 H3 D5.044 Fe N2.232 O5 -","- C64 H24 D40.352 Fe8 N17.856 O40 -","8","0.5","","Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding.","Journal of the American Chemical Society","2021","143","8","3153","3161","10.1021/jacs.0c11930","powder diffraction","","","neutron","","1.08245","","","","","","","","2.83652","","","","","","","has coordinates","262445","2021-03-04","02:53:43",""
"4135630","15.4911","0.0012","15.4911","0.0012","12.3275","0.0009","90","","90","","90","","2958.3","0.4","7","","7","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","MFM-300-In_ND3loaded","- C8 H3.3 D0.88 In N0.33 O5 -","- C8 H3.3 D0.882 In N0.334 O5 -","- C64 H26.4 D7.056 In8 N2.672 O40 -","8","0.5","","Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding.","Journal of the American Chemical Society","2021","143","8","3153","3161","10.1021/jacs.0c11930","powder diffraction","","","neutron","","4.12994","","","","","","","","2.30191","","","","","","","has coordinates","262445","2021-03-04","02:53:43",""
"4135631","15.09","0.03","15.09","0.03","12.01","0.03","90","","90","","90","","2735","10","7","","7","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","MFM-300-V(IV)_ND3loaded","- C8 H3 D6.65 N2.22 O5 V -","- C8 H3 D6.648 N2.216 O5 V -","- C64 H24 D53.184 N17.728 O40 V8 -","8","0.5","","Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding.","Journal of the American Chemical Society","2021","143","8","3153","3161","10.1021/jacs.0c11930","powder diffraction","","","neutron","","1.17494","","","","","","","","4.77876","","","","","","","has coordinates","262445","2021-03-04","02:53:43",""
"4135632","10.9436","0.0011","8.6154","0.001","10.0156","0.0009","90","","90","","90","","944.31","0.17","120","3","120","3","","","","","","","","4","P n n a","-P 2a 2bc","52","","11","","- C6 H3 Cu N4 -","- C6 H3 Cu N4 -","- C24 H12 Cu4 N16 -","4","0.5","","Geng, Shubo; Lin, En; Li, Xia; Liu, Wansheng; Wang, Ting; Wang, Zhifang; Sensharma, Debobroto; Darwish, Shaza; Andaloussi, Yassin H.; Pham, Tony; Cheng, Peng; Zaworotko, Michael J.; Chen, Yao; Zhang, Zhenjie","Scalable Room-Temperature Synthesis of Highly Robust Ethane-Selective Metal-Organic Frameworks for Efficient Ethylene Purification.","Journal of the American Chemical Society","2021","143","23","8654","8660","10.1021/jacs.1c02108","","x-ray","0.71073","MoKα","","0.1232","0.0836","","","0.2217","0.2574","","","","","","1.025","","","","has coordinates,has disorder","266969","2021-07-04","01:44:13",""
"4135633","10.9748","0.0003","8.5812","0.0003","10.0596","0.0004","90","","90","","90","","947.38","0.06","120","3","120","3","","","","","","","","5","P n n a","-P 2a 2bc","52","","br-yx","","- C2.75 H0.5 Br0.5 Cu0.5 N2 -","- C2.75 H0.5 Br0.5 Cu0.5 N2 -","- C22 H4 Br4 Cu4 N16 -","8","1","","Geng, Shubo; Lin, En; Li, Xia; Liu, Wansheng; Wang, Ting; Wang, Zhifang; Sensharma, Debobroto; Darwish, Shaza; Andaloussi, Yassin H.; Pham, Tony; Cheng, Peng; Zaworotko, Michael J.; Chen, Yao; Zhang, Zhenjie","Scalable Room-Temperature Synthesis of Highly Robust Ethane-Selective Metal-Organic Frameworks for Efficient Ethylene Purification.","Journal of the American Chemical Society","2021","143","23","8654","8660","10.1021/jacs.1c02108","","x-ray","0.71073","MoKα","","0.0226","0.0205","","","0.0538","0.0547","","","","","","1.079","","","","has coordinates","266969","2021-07-04","01:44:20",""
"4135634","10.9745","0.0013","8.6056","0.0011","10.0876","0.0014","90","","90","","90","","952.7","0.2","120","","120","","","","","","","","","5","P n n a","-P 2a 2bc","52","","Br-C2H6","","- C3 H1.5 Br0.5 Cu0.5 N2 -","- C3 H1.5 Br0.5 Cu0.5 N2 -","- C24 H12 Br4 Cu4 N16 -","8","1","","Geng, Shubo; Lin, En; Li, Xia; Liu, Wansheng; Wang, Ting; Wang, Zhifang; Sensharma, Debobroto; Darwish, Shaza; Andaloussi, Yassin H.; Pham, Tony; Cheng, Peng; Zaworotko, Michael J.; Chen, Yao; Zhang, Zhenjie","Scalable Room-Temperature Synthesis of Highly Robust Ethane-Selective Metal-Organic Frameworks for Efficient Ethylene Purification.","Journal of the American Chemical Society","2021","143","23","8654","8660","10.1021/jacs.1c02108","","x-ray","0.71073","MoKα","","0.0687","0.0589","","","0.1377","0.144","","","","","","1.056","","","","has coordinates","266969","2021-07-04","01:44:20",""
"4135635","11.0306","0.0013","8.6572","0.0014","10.0114","0.0019","90","","90","","90","","956","0.3","120","3","120","3","","","","","","","","4","P n n a","-P 2a 2bc","52","","Br","","- C2.5 Br0.5 Cu0.5 N2 -","- C2.5 Br0.5 Cu0.5 N2 -","- C20 Br4 Cu4 N16 -","8","1","","Geng, Shubo; Lin, En; Li, Xia; Liu, Wansheng; Wang, Ting; Wang, Zhifang; Sensharma, Debobroto; Darwish, Shaza; Andaloussi, Yassin H.; Pham, Tony; Cheng, Peng; Zaworotko, Michael J.; Chen, Yao; Zhang, Zhenjie","Scalable Room-Temperature Synthesis of Highly Robust Ethane-Selective Metal-Organic Frameworks for Efficient Ethylene Purification.","Journal of the American Chemical Society","2021","143","23","8654","8660","10.1021/jacs.1c02108","","x-ray","0.71073","MoKα","","0.0371","0.0344","","","0.08","0.0817","","","","","","1.098","","","","has coordinates","266969","2021-07-04","01:44:20",""
"4135636","18.6097","0.0005","19.5333","0.0005","16.7214","0.0004","90","","96.1449","0.0015","90","","6043.5","0.3","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C103 H20 O2 S6 -","- C102.66 H20 O2 S6 -","- C410.64 H80 O8 S24 -","4","0.5","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.34139","GaKα","","0.1385","0.0977","","","0.2156","0.2436","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","272065","2022-01-16","14:30:41",""
"4135637","30.4743","0.0011","10.2536","0.0004","27.1459","0.001","90","","104.991","0.0019","90","","8193.6","0.5","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C110 H60 Cl10 O4 -","- C110 H60 Cl10 O4 -","- C440 H240 Cl40 O16 -","4","1","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.34139","GaKα","","0.0926","0.0874","","","0.2254","0.231","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","272066","2022-01-16","14:30:57",""
"4135638","13.7614","0.0005","14.9731","0.0006","17.3086","0.0007","78.771","0.002","78.615","0.002","75.028","0.002","3338.5","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C84 H44 Cl12 O4 -","- C84 H44 Cl12 O4 -","- C168 H88 Cl24 O8 -","2","1","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.34139","GaKα","","0.1151","0.0947","","","0.2925","0.3206","","","","","","1.255","","","","has coordinates,has disorder","272067","2022-01-16","14:31:09",""
"4135639","19.5697","0.0009","17.9147","0.0009","38.807","0.002","90","","104.474","0.002","90","","13173.4","1.1","150","","150","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C148 H80 Cl12 O4 -","- C148 H80 Cl12 O4 -","- C592 H320 Cl48 O16 -","4","0.5","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.34139","GaKα","","0.1131","0.0892","","","0.2359","0.2532","","","","","","1.022","","","","has coordinates,has disorder","272068","2022-01-16","14:31:24",""
"4135640","18.667","0.002","19.234","0.002","16.2905","0.0019","90","","108.354","0.005","90","","5551.4","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C121 H65 Cl27 O4 -","- C121 H65 Cl26.998 O4 -","- C242 H130 Cl53.996 O8 -","2","0.5","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.54178","CuKα","","0.1504","0.0884","","","0.2433","0.2903","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","272069","2022-01-16","14:31:49",""
"4135641","43.4297","0.0017","13.7993","0.0006","20.6059","0.0009","90","","102.772","0.002","90","","12043.6","0.9","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C150 H84 Cl18 O4 -","- C150 H84 Cl18 O4 -","- C600 H336 Cl72 O16 -","4","0.5","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.54178","CuKα","","0.0782","0.0697","","","0.1852","0.1934","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","272070","2022-01-16","14:32:17",""
"4135642","10.4352","0.0014","17.672","0.002","19.298","0.003","68.679","0.008","86.263","0.009","82.937","0.008","3289.2","0.8","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C84 H64 O4 -","- C76 H54 O4 -","- C152 H108 O8 -","2","1","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.54178","CuKα","","0.1875","0.0932","","","0.2175","0.242","","","","","","0.965","","","","has coordinates,has disorder","272071","2022-01-16","14:32:34",""
"4135643","10.8289","0.0002","10.8289","0.0002","10.8289","0.0002","90","","90","","90","","1269.85","0.04","293","2","293","2","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","","","- Cu26 S32 Sn6 V2 -","- Cu26.001 S32.0012 Sn6.00024 V2 -","- Cu26.001 S32.0012 Sn6.00024 V2 -","1","0.0416667","","Bourges, C.; Bouyrie, Y.; Supka, A.R.; Al Rahal Al Orabi, R.; Lemoine, P.; Lebedev, O.I.; Ohta, M.; Suekuni, K.; Nassif, V.; Hardy, V.; Daou, R.; Miyazaki, Y.; Fornari, M.; Guilmeau, E.","'High-performance thermoelectric bulk colusite by process controlled structural disordering'","Journal of the American Chemical Society","2018","140","6","2186","2195","10.1021/jacs.7b11224","powder diffraction","","1.28942","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.4082","","","","","","","","has coordinates","280894","2023-02-14","15:53:00",""
"4135644","10.77006","0.00018","10.77006","0.00018","10.77006","0.00018","90","","90","","90","","1249.26","0.04","293","2","293","2","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","","","- Cu26 S32 Sn6 V2 -","- Cu26.001 S32.0012 Sn6.00024 V2 -","- Cu26.001 S32.0012 Sn6.00024 V2 -","1","0.0416667","","Bourges, C.; Bouyrie, Y.; Supka, A.R.; Al Rahal Al Orabi, R.; Lemoine, P.; Lebedev, O.I.; Ohta, M.; Suekuni, K.; Nassif, V.; Hardy, V.; Daou, R.; Miyazaki, Y.; Fornari, M.; Guilmeau, E.","'High-performance thermoelectric bulk colusite by process controlled structural disordering'","Journal of the American Chemical Society","2018","140","6","2186","2195","10.1021/jacs.7b11224","powder diffraction","","1.2885","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.6458","","","","","","","","has coordinates","280895","2023-02-14","15:53:44",""
"5000016","13.611","0.02","7.738","0.008","5.142","0.005","90","","90","","90","","541.57","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Shoemaker, David P.; Donohue, Jerry; Schomaker, Verner; Corey, Robert B.","The Crystal Structure of L~s~-Threonine","Journal of the American Chemical Society","1950","72","6","2328","2349","10.1021/ja01162a002","","","","","","","","","","","","","","","","","","","","","has coordinates","187363","2020-10-21","18:00:00",""
"5000048","8.859","0.001","8.859","0.001","38.119","0.005","90","","90","","120","","2590.85","","","","","","","","","","","","","5","P 31","P 31","144","","","","- C37 H42 Mg N4 O7 -","- C37 H42 Mg N4 O7 -","- C111 H126 Mg3 N12 O21 -","3","1","","Chow, H.-C.; Serlin, R.; Strouse, C. E.","Crystal and Molecular Structure and Absolute Configuration of Ethyl Chlorophyllide a Dihydrate. Model for the Different Spectral Forms of Chlorophyll a","Journal of the American Chemical Society","1975","97","25","7230","7237","10.1021/ja00858a006","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000054","17.685","0.005","17.685","0.005","4.919","0.002","90","","90","","90","","1538.46","","","","","","","","","","","","","4","P 41","P 4w","76","","","","- C14 H19 N2 O5.5 -","- C14 H18 N2 O6 -","- C56 H72 N8 O24 -","4","1","","Hatada, M.; Jancarik, J.; Graves, B.; Kim, Sung-Hou","Crystal structure of aspartame, a peptide sweetener","Journal of the American Chemical Society","1985","107","14","4279","4282","10.1021/ja00300a034","","","","","","","","","","","","","","","","","","","","","has coordinates","175328","2020-10-21","18:00:00",""
"5000126","12.9284","0.0041","13.3537","0.0068","7.9763","0.0017","90","","90.01","0.03","90","","1377.04","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H13 Cl N2 O -","- C16 H13 Cl N2 O -","- C64 H52 Cl4 N8 O4 -","4","1","","Camerman, Arthur; Camerman, Norman","Stereochemical basis of anticonvulsant drug action. II. Molecular structure of diazepam","Journal of the American Chemical Society","1972","94","1","268","272","10.1021/ja00756a047","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000139","8.836","0.001","12.416","0.001","18.76","0.002","90","","90","","90","","2058.12","","","","123.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Oxytetracycline","","- C22 H24 N2 O9 -","- C22 H24 N2 O9 -","- C88 H96 N8 O36 -","4","1","","Prewo, R.; Stezowski, J. J.","Chemical-structural properties of tetracycline derivatives. 3. The integrity of the conformation of the nonionized free base","Journal of the American Chemical Society","1977","99","4","1117","1121","10.1021/ja00446a024","","","","","","","5.4","","","5.4","","","","","","","","","","","has coordinates","187366","2020-10-21","18:00:00",""
"5000164","5.715","0.002","6.458","0.002","6.131","0.002","90","","99.89","0.03","90","","222.92","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 O2 -","- C8 H16 O4 -","- C16 H32 O8 -","2","0.5","","Koritsanszky, T.; Strumpel, M. K.; Buschmann, J.; Luger, P.; Hansen, N. K.; Pichon-Pesme, V.","A study of the anomeric effect on an electronic scale: the electron density of 1,4-dioxane and trans-2,5-dichloro-1,4-dioxane","Journal of the American Chemical Society","1991","113","24","9148","9154","10.1021/ja00024a020","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000187","7.7163","0.0018","17.6101","0.0068","5.5655","0.0019","90","","96.396","0.024","90","","751.56","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","","Enkelmann, Volker; Wegner, Gerhard; Novak, Kathleen; Wagener, Kenneth B.","Single-crystal-to-single-crystal photodimerization of cinnamic acid","Journal of the American Chemical Society","1993","115","22","10390","10391","10.1021/ja00075a077","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000194","7.514","0.029","5.249","0.022","6.552","0.021","90","","116.1","0.3","90","","232.07","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 O2 -","- C8 H12 O4 -","- C16 H24 O8 -","2","0.5","","Eriks, K.; Hayden, T. D.; Yang, S. Hsi; Chan, I. Y.","Crystal and molecular structure of biacetyl (2,3-butanedione), (H~3~CCO)~2~, at -12 and -100 °C","Journal of the American Chemical Society","1983","105","12","3940","3942","10.1021/ja00350a032","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000235","12.559","0.003","14.263","0.003","13.739","0.001","90","","106.13","0.01","90","","2364.17","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C50 H70 O14 -","- C50 H70 O14 -","- C100 H140 O28 -","2","1","","Nicolaou, K. C.; Rutjes, F. P. J. T.; Theodorakis, E. A.; Tiebes, J.; Sato, M.; Untersteller, E.","Total Synthesis of Brevetoxin B. 3. Final Strategy and Completion","Journal of the American Chemical Society","1995","117","41","10252","10263","10.1021/ja00146a010","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000240","18.173","0.003","20.138","0.004","15.574","0.003","90","","90","","90","","5699.58","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H81 N4 O15 P -","- C50 N4 O15 P -","- C200 N16 O60 P4 -","4","1","","Kato, Yuko; Fusetani, Nobuhiro; Matsunaga, Shigeki; Hashimoto, Kanehisa; Fujita, Shigeo; Furuya, Toshio","Bioactive marine metabolites. Part 16. Calyculin A. A novel antitumor metabolite from the marine sponge Discodermia calyx","Journal of the American Chemical Society","1986","108","10","2780","2781","10.1021/ja00270a061","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000241","12.989","0.003","15.267","0.005","15.89","0.003","90","","90","","90","","3151.04","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H45 Cl N4 O -","- C36 H45 Cl N4 O -","- C144 H180 Cl4 N16 O4 -","4","1","","Sakai, Ryuichi; Higa, Tatsuo; Jefford, Charles W.; Bernardinelli, Gerald","Manzamine A, a novel antitumor alkaloid from a sponge","Journal of the American Chemical Society","1986","108","20","6404","6405","10.1021/ja00280a055","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000247","11.417","0.007","15.22","0.004","22.486","0.006","90","","90","","90","","3907.32","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H62 O8 -","- C47 H50 O8 -","- C188 H200 O32 -","4","1","","Bauer, Ines; Maranda, Lucie; Shimizu, Yuzuru; Peterson, Russell W.; Cornell, Laurie; Steiner, Jorge Rios; Clardy, Jon","The Structures of Amphidinolide B Isomers: Strongly Cytotoxic Macrolides Produced by a Free-Swimming Dinoflagellate, Amphidinium sp","Journal of the American Chemical Society","1994","116","6","2657","2658","10.1021/ja00085a071","","","","","","","","","","","","","","","","","","","","","has coordinates","175372","2020-10-21","18:00:00",""
"5000250","13.456","0.001","17.884","0.002","28.965","0.002","90","","90","","90","","6970.34","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H94 N8 O15 -","- C67 N8 O13 -","- C268 N32 O52 -","4","1","","Renner, Matthew K.; Shen, Ya-Ching; Cheng, Xing-Chung; Jensen, Paul R.; Frankmoelle, Walter; Kauffman, Christopher A.; Fenical, William; Lobkovsky, Emil; Clardy, Jon","Cyclomarins A‒C, New Antiinflammatory Cyclic Peptides Produced by a Marine Bacterium (Streptomyces sp.)","Journal of the American Chemical Society","1999","121","49","11273","11276","10.1021/ja992482o","","","","","","","","","","","","","","","","","","","","","has coordinates","175374","2020-10-21","18:00:00",""
"5000254","21.137","0.007","12.861","0.005","9.516","0.003","90","","90","","90","","2586.86","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Cl4 O6 -","- C24 H21 Cl4 O6 -","- C96 H84 Cl16 O24 -","4","1","","Arora, Satish K.; Bates, Robert B.; Grady, Raymond A.; Delfel, Norman E.","Crystal and molecular structure of the one to one complex of rotenone and carbon tetrachloride","Journal of the American Chemical Society","1975","97","20","5752","5755","10.1021/ja00853a020","","","","","","","","","","","","","","","","","","","","","has coordinates","175374","2020-10-21","18:00:00",""
"5000255","9.213","0.002","11.837","0.003","18.573","0.007","90","","90","","90","","2025.47","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 Cl2 N7 O5 -","- C12 Cl2 N7 O5 -","- C48 Cl8 N28 O20 -","4","1","","Bordner, Jon; Thiessen, William E.; Bates, Hans A.; Rapoport, Henry","Structure of a crystalline derivative of saxitoxin. Structure of saxitoxin","Journal of the American Chemical Society","1975","97","21","6008","6012","10.1021/ja00854a009","","","","","","","","","","","","","","","","","","","","","has coordinates","175374","2020-10-21","18:00:00",""
"5000260","22.71","0.05","8.052","0.006","15.879","0.018","90","","95.72","0.09","90","","2889.19","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 N4 O3 S -","- C15 H14 N4 O3 S -","- C120 H112 N32 O24 S8 -","8","1","","Jalal, M. A. F.; Hossain, M. B.; Van der Helm, Dick; Sanders-Loehr, J.; Actis, L. A.; Crosa, J. H.","Structure of anguibactin, a unique plasmid-related bacterial siderophore from the fish pathogen Vibrio anguillarum","Journal of the American Chemical Society","1989","111","1","292","296","10.1021/ja00183a044","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000271","8.801","0.004","22.595","0.007","27.776","0.005","90","","90","","90","","5523.5","","","","243.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","PEPSEQ C=6 GLY*-PHE*-THR-SER!,THR*-ILE- A=2 GLY*,SER!","Salinamide B monohydrate","","- C51 H72 Cl N7 O16 -","- C51 H69 Cl N7 O16 -","- C204 H276 Cl4 N28 O64 -","4","1","","Trischman, Jacqueline A.; Tapiolas, Dianne M.; Jensen, Paul R.; Dwight, Ryan; Fenical, William; McKee, Tawnya C.; Ireland, Chris M.; Stout, Thomas J.; Clardy, Jon","Salinamides A and B: anti-inflammatory depsipeptides from a marine streptomycete","Journal of the American Chemical Society","1994","116","2","757","758","10.1021/ja00081a042","","","","","","","0.0828","","","0.0828","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000275","9.593","0.005","7.815","0.005","11.342","0.005","90","","99.47","0.04","90","","838.71","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O -","- C19 H25 N O -","- C38 H50 N2 O2 -","2","1","","Williams, Geoffrey M.; Roughley, Stephen D.; Davies, John E.; Holmes, Andrew B.; Adams, Joseph P.","Synthesis of (-)-Histrionicotoxin by a Tandem Process","Journal of the American Chemical Society","1999","121","20","4900","4901","10.1021/ja990138l","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000277","13.676","0.005","30.663","0.009","6.821","0.002","90","","90","","90","","2860.37","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 N4 O10 -","- C29 H14 N4 O10 -","- C116 H56 N16 O40 -","4","1","","Chiu, Yuan-Yuan H.; Lipscomb, William N.","Molecular and crystal structure of streptonigrin","Journal of the American Chemical Society","1975","97","9","2525","2530","10.1021/ja00842a033","","","","","","","","","","","","","","","","","","","","","has coordinates","175374","2020-10-21","18:00:00",""
"5000279","8.574","0.001","11.434","0.001","12.702","0.001","114.14","0.01","92.33","0.01","103.39","0.01","1092.53","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N2 O7 Se -","- C22 H22 N2 O7 Se -","- C44 H44 N4 O14 Se2 -","2","1","","Burton, Jonathan W.; Clark, J. Stephen; Derrer, Sam; Stork, Thomas C.; Bendall, Justin G.; Holmes, Andrew B.","Synthesis of Medium Ring Ethers. 5. The Synthesis of (+)-Laurencin","Journal of the American Chemical Society","1997","119","32","7483","7498","10.1021/ja9709132","","","","","","","","","","","","","","","","","","","","","has coordinates","277867","2022-09-15","08:51:10",""
"5000280","8.144","0.006","11.439","0.006","19.712","0.008","90","","94.12","0.05","90","","1831.61","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","","Miles, D. Howard; Bhattacharyya, J.; Mody, Naresh V.; Atwood, Jerry L.; Black, Susan; Hedin, Paul A.","Antineoplastic agents. 3. The structure of juncusol. A novel cytotoxic dihydrophenanthrene from the estuarine marsh plant juncus reomerianus","Journal of the American Chemical Society","1977","99","2","618","620","10.1021/ja00444a056","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000296","55.071","0.004","33.491","0.003","27.331","0.002","90","","114.966","","90","","45699","7","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C182 H193 Mn18 N7 O74 P12 -","- C191 H156 Mn18 N6 O74 P12 -","- C1528 H1248 Mn144 N48 O592 P96 -","8","1","","Colette Boskovic; Maren Pink; John C. Huffman; David N. Hendrickson; George Christou","Single-Molecule Magnets: Ligand-Induced Core Distortion and Multiple Jahn-Teller Isomerism in [Mn12O12(O2CMe)8(O2PPh2)8(H2O)4]","Journal of the American Chemical Society","2001","123","","9914","9915","10.1021/ja016341+","","","0.71073","MoKα","","","0.0777","","","","0.0801","","","","","","1.6418","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"5000298","25.2075","0.0019","25.2075","0.0019","13.4133","0.0014","90","","90","","90","","8523.1","1.3","113","2","113","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C124 H136 Cl24 Mn12 O48 P8 -","- C124 H136 Cl24.008 Mn12 O48 P8 -","- C248 H272 Cl48.016 Mn24 O96 P16 -","2","0.25","","Boskovic, Colette; Pink, Maren; Huffman, John C.; Hendrickson, David N.; Christou, George","Single-Molecule Magnets: Ligand-Induced Core Distortion and Multiple Jahn‒Teller Isomerism in [Mn~12~O~12~(O~2~CMe)~8~(O~2~PPh~2~)~8~(H~2~O)~4~]","Journal of the American Chemical Society","2001","123","40","9914","9915","10.1021/ja016341+","","","0.71073","MoKα","","0.1153","0.0666","","","0.1925","0.218","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"5000342","36.774","0.003","14.9295","0.0012","27.037","0.002","90","","121.884","0.004","90","","12604.3","1.9","105","","105","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C105 H102 Cl18 Mn12 N6 O30 -","- C105 H102 Cl18 Mn12 N6 O30 -","- C420 H408 Cl72 Mn48 N24 O120 -","4","0.5","","Colette Boskovic; Euan K. Brechin; William E. Streib; Kirsten Folting; John C. Bollinger; David N. Hendrickson; George Christou","Single-Molecule Magnets: A New Family of Mn12 Clusters of Formula [Mn12O8X4(O2CPh)8L6]","Journal of the American Chemical Society","2002","124","","3725","3736","10.1021/ja012403k","","","0.71069","MoKα","","","0.0353","","","","0.0379","","","","","","0.8413","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"5000356","14.2602","0.0012","14.8241","0.0012","15.7931","0.0014","94.558","0.002","92.773","0.002","114.916","0.002","3005.9","0.7","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C104 H104 Cl12 Mn12 N6 O32 -","- C104 H104 Cl12 Mn12 N6 O32 -","- C104 H104 Cl12 Mn12 N6 O32 -","1","0.5","","Colette Boskovic; Euan K. Brechin; William E. Streib; Kirsten Folting; John C. Bollinger; David N. Hendrickson; George Christou","Single-Molecule Magnets: A New Family of Mn12 Clusters of Formula [Mn12O8X4(O2CPh)8L6]","Journal of the American Chemical Society","2002","124","","3725","3736","10.1021/ja012403k","","","0.71073","MoKα","","","0.0623","","","","0.0698","","","","","","1.5743","","","","has coordinates,has disorder","277867","2022-09-15","08:51:11",""
"5000357","41.153","0.0006","41.153","0.0006","14.3127","0.0003","90","","90","","90","","24239.5","0.7","112","","112","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C107.4 H110.8 Br4 Cl2.8 Mn12 N6 O32 -","- C109.884 H90.768 Br4 Cl2.768 Mn12 N6 O30 -","- C879.072 H726.144 Br32 Cl22.144 Mn96 N48 O240 -","8","0.5","","Colette Boskovic; Euan K. Brechin; William E. Streib; Kirsten Folting; John C. Bollinger; David N. Hendrickson; George Christou","Single-Molecule Magnets: A New Family of Mn12 Clusters of Formula [Mn12O8X4(O2CPh)8L6]","Journal of the American Chemical Society","2002","124","","3725","3736","10.1021/ja012403k","","","0.71073","MoKα","","0.0786","0.051","","","0.1286","0.1353","","","","","","1.294","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5000365","17.172","0.002","18.302","0.003","34.534","0.005","90","","100.363","0.008","90","","10677","2","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C105 H96 Cl10 Mn6 O16 -","- C110.51 H90 Cl6.684 Mn6 O16 -","- C442.04 H360 Cl26.736 Mn24 O64 -","4","1","","Guillem Aromí; Michael J. Knapp; Juan-Pablo Claude; John C. Huffman; David N. Hendrickson; George Christou","High-Spin Molecules: Hexanuclear MnIII Clusters with [Mn6O4X4]6+ (X = Cl-, Br-) Face-Capped Octahedral Cores and S= 12 Ground States","Journal of the American Chemical Society","1999","121","","5489","5499","10.1021/ja983446c","","","0.71069","MoKα","","","0.058","","","","0.0573","","","","","","2.4015","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"5000368","13.888","0.003","8.3476","0.0018","24.702","0.005","90","","102.689","0.012","90","","2793.8","1","105.15","","20","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Cl3 Mn O4 -","- C31 H24 Cl3 Mn O4 -","- C124 H96 Cl12 Mn4 O16 -","4","1","","Guillem Aromí; Michael J. Knapp; Juan-Pablo Claude; John C. Huffman; David N. Hendrickson; George Christou","High-Spin Molecules: Hexanuclear MnIII Clusters with [Mn6O4X4]6+ (X = Cl-, Br-) Face-Capped Octahedral Cores and S= 12 Ground States","Journal of the American Chemical Society","1999","121","","5489","5499","10.1021/ja983446c","","","0.71069","MoKα","","","0.0533","","","","0.0456","","","","","","1.4551","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"5000376","18.744","0.003","17.87","0.003","18.608","0.003","90","","95.48","0.01","90","","6204.4","1.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C57 H59 B F25 O P2 Ru -","- C57 H59 B F25 O P2 Ru -","- C228 H236 B4 F100 O4 P8 Ru4 -","4","0.5","","Huang, Dejian; Huffman, John C.; Bollinger, John C.; Eisenstein, Odile; Caulton, Kenneth G.","The First η^2^-CH~2~Cl~2~ Adduct of Ru(II):[RuH(η^2^-CH~2~Cl~2~)(CO)(P^t^Bu~2~Me)~2~][BAr'~4~] (Ar' = 3,5-C~6~H~3~(CF~3~)~2~) and Its RuH(CO)(P^t^Bu~2~Me)~2~ + Precursor","Journal of the American Chemical Society","1997","119","31","7398","7399","10.1021/ja970240n","","","0.71073","MoKα","","0.1632","0.0789","","0.155","0.13","","","","1.264","1.533","1.533","","","","","has coordinates,has disorder","175474","2020-10-21","18:00:00",""
"5000381","15.031","0.002","11.437","0.002","12.326","0.001","90","","96.702","0.008","90","","2104.48","","223","2","223","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","1,2,3,4,5,6,7,8-Octaphenyl-9-fluorenone","","- C61 H40 O -","- C61 H40 O -","- C122 H80 O2 -","2","0.5","","Ling Tong; Heidi Lau; Douglas M. Ho; Robert A. Pascal","Polyphenylbiphenyls and Polyphenylfluorenes","Journal of the American Chemical Society","1998","120","","6000","6006","10.1021/ja980322r","","","0.71073","MoKα","","0.1645","7.84","","0.3079","7.84","","","","0.962","1.289","1.289","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5000383","20.912","0.002","16.579","0.001","9.737","0.001","90","","90","","90","","3375.82","","230","2","230","","","","","","","","","2","P n n a","-P 2a 2bc","52","2,4,6,2'4',6'-Hexaphenyl-1,1'-biphenyl","3',5',4'',6''-Tetraphenyl-1,1':2',1'':2'',1'''-quaterphenyl","","- C48 H34 -","- C48 H34 -","- C192 H136 -","4","0.5","","Ling Tong; Heidi Lau; Douglas M. Ho; Robert A. Pascal","Polyphenylbiphenyls and Polyphenylfluorenes","Journal of the American Chemical Society","1998","120","","6000","6006","10.1021/ja980322r","","","0.71073","MoKα","","0.1306","5.22","","0.1372","5.22","","","","0.826","1.094","1.094","","","","","has coordinates","277867","2022-09-15","08:51:11",""
"5000391","19.8971","0.0008","6.9274","0.0002","19.4153","0.0008","90","","103.846","0.001","90","","2598.35","","110","2","110","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","Hexabenzotriphenylene","Dibenzo(f,j)phenanthro(9,10-s)picene","","- C42 H24 -","- C42 H24 -","- C168 H96 -","4","1","","Lisa Barnett; Douglas M. Ho; Kim K. Baldridge; Robert A. Pascal","The Structure of Hexabenzotriphenylene and the Problem of Overcrowded ""D3h"" Polycyclic Aromatic Compounds","Journal of the American Chemical Society","1999","121","","727","733","10.1021/ja983471i","","","0.71073","MoKα","","0.0962","0.0563","","0.1621","0.1417","","","","1.054","1.176","1.176","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5000396","22.8785","0.0005","12.4546","0.0003","25.6155","0.0005","90","","93.51","0.001","90","","7285.3","0.3","200","2","200","2","","","","","","","chemical synthesis","3","C 1 2/c 1","-C 2yc","15","","1,2,4-Tri(t-butyl)-5,6,7,8-tetraphenyl-9-oxo-1,4-dihydro-1,4-methanonaphthalene","","- C47 H48 O -","- C47 H48 O -","- C376 H384 O8 -","8","1","","Jiajia Zhang; Douglas M. Ho; Robert A. Pascal","Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone","Journal of the American Chemical Society","2001","123","","10919","10926","10.1021/ja011453m","","","0.71073","MoKα","","0.0856","0.0502","","0.1285","0.1122","","","","1.028","1.108","1.108","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5000397","13.3467","0.0009","9.3553","0.0005","27.408","0.002","90","","102.452","0.002","90","","3341.7","0.4","200","2","200","2","","","","","","","chemical synthesis","3","P 1 21/n 1","-P 2yn","14","","4,6-Di(t-butyl)-1,2,3-triphenylfluoranthene","","- C43 H40 Cl2 -","- C42 H38 -","- C168 H152 -","4","1","","Jiajia Zhang; Douglas M. Ho; Robert A. Pascal","Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone","Journal of the American Chemical Society","2001","123","","10919","10926","10.1021/ja011453m","","","0.71073","MoKα","","0.1065","0.0575","","0.1543","0.1372","","","","0.969","1.144","1.144","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5000398","10.1358","0.0009","16.5748","0.0014","22.172","0.002","76.86","0.004","82.762","0.004","75.525","0.004","3502.7","0.5","200","2","200","2","","","","","","","chemical synthesis","2","P -1","-P 1","2","","5,6,8-Tri(t-butyl)-1,2,3,4-tetraphenylnaphthalene","","- C46 H48 -","- C46 H48 -","- C184 H192 -","4","2","","Jiajia Zhang; Douglas M. Ho; Robert A. Pascal","Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone","Journal of the American Chemical Society","2001","123","","10919","10926","10.1021/ja011453m","","","0.71073","MoKα","","0.2174","0.0944","","0.1714","0.1331","","","","1.049","1.259","1.259","","","","","has coordinates","277867","2022-09-15","08:51:11",""
"5900015","11.44","","11.44","","13.49","","90","","90","","120","","1528.95","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Acetamide","","- C2 H5 N O -","- C2 H5 N O -","- C36 H90 N18 O18 -","18","1","","","","J. Am. Chem. Soc.","1940","62","","2008","","10.1021/ja01865a029","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900016","15","","4.44","","13.12","","90","","115.33","","90","","789.78","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Dicyandiamide","","- C2 H4 N4 -","- C2 H4 N4 -","- C16 H32 N32 -","8","1","","","","J. Am. Chem. Soc.","1940","62","","1258","","10.1021/ja01862a079","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900020","6.01","","6.01","","29.4","","90","","90","","90","","1061.93","","","","","","","","","","","","","4","P 41 21 2","","92","","2,2- Diiodide diethylene trisulfide","","- C4 H8 I2 S3 -","- C4 I2 S4 -","- C16 I8 S16 -","4","0.5","","","","J. Am. Chem. Soc.","1950","72","","2701","","10.1021/ja01162a098","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900025","6.04","","6.04","","5.05","","90","","90","","90","","184.23","","","","","","","","","","","","","4","P 4/m n c","","128","","Methylamine hydrogen chloride","","- C H6 Cl N -","- C4 Cl N4 -","- C8 Cl2 N8 -","2","0.125","","","","J. Am. Chem. Soc.","1946","68","","1970","","10.1021/ja01214a029","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"6000558","5.0782","","5.0782","","15.4524","","90","","90","","120","","345.1","","","","","","","","","","","","","2","P 61 2 2","","","","","","- Ag F3 -","","","","","","Zemva, B.; Lutar, K.; Jesih, A.; Casteel, W. J.; Wilkinson, A. P.; Cox, D. E.; Vondreele, R. B.; Borrmann, H.; Bartlett, N.","Silver trifluoride - preparation, crystal-structure, some properties, and comparison with AuF3","Journal of The American Chemical Society","1991","113","","4192","4198","10.1021/ja00011a021","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000559","5.1508","","5.1508","","16.2637","","90","","90","","120","","373.68","","","","","","","","","","","","","2","P 61 2 2","","","","","","- Au F3 -","","","","","","Zemva, B.; Lutar, K.; Jesih, A.; Casteel, W. J.; Wilkinson, A. P.; Cox, D. E.; Vondreele, R. B.; Borrmann, H.; Bartlett, N.","Silver trifluoride - preparation, crystal-structure, some properties, and comparison with AuF3","Journal of The American Chemical Society","1991","113","","4192","4198","10.1021/ja00011a021","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000560","7.3639","","6.432","","7.455","","90","","90","","90","","353.1","","","","","","","","","","","","","3","P n m a","","","","","","- Fe2 O5 P -","","","","","","Warner, J. K.; Cheetham, A. K.; Cox, D. E.; Vondreele, R. B.","Valence contrast between iron sites in alpha-Fe2PO5 - a comparative-study by magnetic neutron and resonant X-ray-powder diffraction","Journal of The American Chemical Society","1992","114","","6074","6080","10.1021/ja00041a027","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"9009782","5.42","","5.42","","5.42","","55.28","","55.28","","55.28","","100.236","","","","","","","","","","","","","2","R -3 c :R","-P 3* 2n","167","","","Hematite","- Fe2 O3 -","- Fe4 O6 -","- Fe4 O6 -","","","","Pauling, L.; Hendricks, S. B.","Crystal structures of hematite and corundum","Journal of the American Chemical Society","1925","47","","781","790","10.1021/ja01680a027","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9012287","8.86","","8.86","","6.66","","90","","90","","90","","522.807","","","","","","","","","","","","Synthetic","2","P -4 b 2","P -4 -2ab","117","","","Minium","- O4 Pb3 -","- O16 Pb12 -","- O16 Pb12 -","","","","Gross, S. T.","The crystal structure of Pb3O4","Journal of the American Chemical Society","1943","65","","1107","1110","10.1021/ja01246a029","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9012288","8.73","","8.73","","5.03","","90","","90","","90","","383.351","","","","","","","","","","","","Synthetic","1","P -4 n 2","P -4 -2n","118","Boron","","Boron","- B -","- B52 -","- B52 -","","","","Hoard, J. L.; Geller, S.; Hughes, R. E.","On the structure of elementary boron","Journal of the American Chemical Society","1951","73","","1892","1893","10.1021/ja01148a555","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012289","3.56669","","3.56669","","3.56669","","90","","90","","90","","45.373","","","","283.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C8 -","- C8 -","","","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: Diamond #1, lattice parameter is average of three runs","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012290","3.56672","","3.56672","","3.56672","","90","","90","","90","","45.374","","","","293.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C8 -","- C8 -","","","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: Diamond #1, lattice parameter is average of three runs","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012291","3.56678","","3.56678","","3.56678","","90","","90","","90","","45.376","","","","303.15","","","","","","","","","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C8 -","- C8 -","","","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: Diamond #1, lattice parameter is average of three runs","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52",""
"9012292","3.56684","","3.56684","","3.56684","","90","","90","","90","","45.379","","","","313.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C8 -","- C8 -","","","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: Diamond #1, lattice parameter is average of three runs","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012293","3.5669","","3.5669","","3.5669","","90","","90","","90","","45.381","","","","323.15","","","","","","","","","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C8 -","- C8 -","","","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: Diamond #1, lattice parameter is average of three runs","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52",""
"9012294","3.5667","","3.5667","","3.5667","","90","","90","","90","","45.373","","","","283.15","","","","","","","","","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C8 -","- C8 -","","","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: white boart","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52",""
"9012295","3.56674","","3.56674","","3.56674","","90","","90","","90","","45.375","","","","293.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C8 -","- C8 -","","","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: white boart","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012296","3.56675","","3.56675","","3.56675","","90","","90","","90","","45.375","","","","303.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C8 -","- C8 -","","","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: white boart","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012297","3.56683","","3.56683","","3.56683","","90","","90","","90","","45.378","","","","313.15","","","","","","","","","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C8 -","- C8 -","","","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: white boart","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52",""
"9012298","3.56689","","3.56689","","3.56689","","90","","90","","90","","45.38","","","","323.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C8 -","- C8 -","","","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: white boart","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012299","3.5668","","3.5668","","3.5668","","90","","90","","90","","45.377","","","","283.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C8 -","- C8 -","","","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: grey boart","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012300","3.5668","","3.5668","","3.5668","","90","","90","","90","","45.377","","","","293.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C8 -","- C8 -","","","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: grey boart","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012301","3.56684","","3.56684","","3.56684","","90","","90","","90","","45.379","","","","303.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C8 -","- C8 -","","","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: grey boart","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012302","3.56689","","3.56689","","3.56689","","90","","90","","90","","45.38","","","","313.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C8 -","- C8 -","","","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: grey boart","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012303","3.567","","3.567","","3.567","","90","","90","","90","","45.385","","","","323.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C8 -","- C8 -","","","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: grey boart","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012305","3.56678","","3.56678","","3.56678","","90","","90","","90","","45.376","","","","293.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C8 -","- C8 -","","","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: Diamond #2","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012309","8.74","","8.74","","5.068","","90","","90","","90","","387.132","","","","","","","","","","","","Synthetic","1","P 42/n n m :1","P 4n 2 -1n","134","Boron","","Boron","- B -","- B50 -","- B50 -","","","","Hoard, J. L.; Hughes, R. E.; Sands, D. E.","The structure of tetragonal boron Sample: needle III","Journal of the American Chemical Society","1958","80","","4507","4515","10.1021/ja01550a019","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012310","8.771","","8.771","","5.088","","90","","90","","90","","391.422","","","","","","","","","","","","Synthetic","1","P 42/n n m :1","P 4n 2 -1n","134","Boron","","Boron","- B -","- B50 -","- B50 -","","","","Hoard, J. L.; Hughes, R. E.; Sands, D. E.","The structure of tetragonal boron Sample: plate","Journal of the American Chemical Society","1958","80","","4507","4515","10.1021/ja01550a019","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012311","10.818","","10.818","","4.28","","90","","90","","120","","433.779","","","","","","","","","","","","","1","R -3 :H","-R 3","148","Sulfur","","Sulfur","- S6 -","- S18 -","- S18 -","","","","Donohue, J.; Caron, A.; Goldish, E.","The crystal and molecular structure of S6 (sulfur-6) Locality: synthetic","Journal of the American Chemical Society","1961","83","","3748","3751","10.1021/ja01479a003","","","","","","","","","","","","","","","","","","","","","has coordinates","287551","2023-11-11","19:15:01",""
"9014103","5.571","","7.766","","5.513","","90","","90","","90","","238.517","","","","","","","","","","","","Synthetic","3","P 21 m a","P -2a 2a","26","","","Lueshite","- Na Nb O3 -","- Na4 Nb4 O12 -","- Na4 Nb4 O12 -","","","","Johnston, K. E.; Tang, C. C.; Parker, J. E.; Knight, K. S.; Lightfoot, P.; Ashbrook, S. E.","The polar phase of NaNbO3: a combined study by powder diffraction, solid-state NMR and first-principles calculations Note: this is a polymorph of lueshite","Journal of the American Chemical Society","2010","132","","8732","8746","10.1021/ja101860r","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014359","7.624","","7.624","","7.624","","90","","90","","90","","443.148","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","Tricalcium aluminate","- Al2 Ca3 O6 -","- Al6 Ca9 O18 -","- Al6 Ca9 O18 -","","","","Steele, F. A.; Davey, W. P.","The crystal structure of tricalcium aluminate","Journal of the American Chemical Society","1929","51","","2283","2293","10.1021/ja01383a001","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014841","17.1925","","17.1925","","17.1925","","90","","90","","90","","5081.79","","","","","","","","","","","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Propane-ethanol-methane-hydrate","- C2.878 H11.38 O5 -","- C92.08 H364.16 O160 -","- C92.08 H364.16 O160 -","","","","Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R.","Gas hydrate single-crystal structure analyses Sample: (C3H8)8(CH4)14.9(H2O)136, T = 163 K","Journal of the American Chemical Society","2004","126","","9407","9412","10.1021/ja049247c","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014909","17.175","","17.175","","17.175","","90","","90","","90","","5066.29","","","","","","","","","","","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Propane-hydrate","- C1.72 H18 O10 -","- C27.52 H368 O160 -","- C27.52 H368 O160 -","","","","Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R.","Gas hydrate single-crystal structure analyses Sample: (C3H8)8(H2O)136, T = 123 K","Journal of the American Chemical Society","2004","126","","9407","9412","10.1021/ja049247c","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017518","5.43","","5.43","","5.43","","55.28","","55.28","","55.28","","100.792","","","","","","","","","","","","","2","R 3 c :R","P 3* -2n","161","","","Hematite","- Fe O3 -","- Fe2 O6 -","- Fe2 O6 -","","","","Pauling, L.; Hendricks, S.","The Structure of Hematite","Journal of the American Chemical Society","1925","47","","781","790","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:03",""